smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cccc(N2CCN(C(=O)/C=C/c3ccc([C@H]4C[C@@H]4C)o3)CC2)c1 24576735 DQHOAZKSQLBPTC-HGIXYHNESA-N 366.461 3.774 0 40 FHAB C[C@H](NC(=O)c1c(F)ccc(S(C)(=O)=O)c1F)c1ccc(Cl)cc1 79072007 DXBSULYZFMZGET-VIFPVBQESA-N 373.808 3.513 0 40 FHAB CC1(C)Cc2c(sc3ncn4nc(-c5ccc(O)cc5)nc4c23)CO1 1426718 OJJMASYWIPIYJV-UHFFFAOYSA-N 352.419 3.563 0 40 FHAB Cc1nn(-c2ccccc2)c2sc(C(=O)NC[C@H](C(C)C)N(C)C)cc12 25451463 CLDMWJAQNGWRDH-QGZVFWFLSA-N 370.522 3.711 0 40 FHAB CC[C@@H](C)c1ccc([C@H](O)CN2CCN(C(=O)c3cccs3)CC2)cc1 25571742 VCECKLPMFIIXSX-VQIMIIECSA-N 372.534 3.753 0 40 FHAB Cc1cc(C)cc(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)c1 3219498 ULKZYENHRFJYHH-UHFFFAOYSA-N 365.473 3.942 0 40 FHAB Cc1ccc(S(=O)(=O)C(NC(=O)C(C)(C)C)=C(Cl)Cl)cc1 3303234 LUPJGVSUSHKYJL-UHFFFAOYSA-N 350.267 3.535 0 40 FHAB CN(C)c1ccccc1NC(=O)NC1CCN(Cc2ccccc2)CC1 44082295 BXRKZSYDNBALCV-UHFFFAOYSA-N 352.482 3.539 0 40 FHAB CC[C@@H](C)NC(=O)CSc1nnc(-c2ccoc2C)n1CC(C)C 4860771 KDYWHQALHWSZQG-GFCCVEGCSA-N 350.488 3.509 0 40 FHAB CC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)cc1 4976689 AAQGUMCVVDWEGP-UHFFFAOYSA-N 367.430 3.594 0 40 FHAB CC(C)OCCCNC(=O)CCCc1nc(-c2ccccc2Cl)no1 6811704 DSOSZFCTZRKWBO-UHFFFAOYSA-N 365.861 3.644 0 40 FHAB CCCCNC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 57486755 GUVAQRDHAKRSPQ-UHFFFAOYSA-N 358.829 3.775 0 40 FHAB O=C1N[C@H](c2ccsc2)Nc2c1cnn2-c1cccc(C(F)(F)F)c1 58026734 RLXAAUZTDCBGKQ-CYBMUJFWSA-N 364.352 3.807 0 40 FHAB CN(C[C@H]1CCCO1)C(=O)COc1cc(Cl)c(Cl)cc1Cl 58218530 JBIOEAAZQOLDKI-SECBINFHSA-N 352.645 3.663 0 40 FHAB CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2ccsc2c1=O 27818512 LJXQWDROSHOEDO-UHFFFAOYSA-N 359.476 3.517 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(Br)cn1 28231144 IGVPPMPEWZVMHC-UHFFFAOYSA-N 371.238 3.899 0 40 FHAB CCCCn1c(NC(=O)CC)c(C(=O)OCC)c2nc3ccccc3nc21 2290181 XBTCILYRGHZZKC-UHFFFAOYSA-N 368.437 3.910 0 40 FHAB COc1cccc(NC(=O)N2[C@H]3CCC[C@H]2CC(NC(=O)C(C)(C)C)C3)c1 100426348 SGEHRLCKCLJUHB-IRXDYDNUSA-N 373.497 3.775 0 40 FHAB O=S(=O)(c1cccc(Cl)c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 10628769 UQQZBNJQXMNZBT-MRXNPFEDSA-N 361.854 3.742 0 40 FHAB CCOc1ccc([C@H](C)NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)cc1 59251256 KYNDUVZLYXEBFA-HNNXBMFYSA-N 362.429 3.932 0 40 FHAB Cc1ccc(-c2nn(CN3CCOCC3)c(=S)n2-c2ccccc2)cc1 20394242 SYMWIFHBUCWFGQ-UHFFFAOYSA-N 366.490 3.668 0 40 FHAB Cc1cc(C)cc(NC(=O)[C@H](Sc2nncn2C)c2ccccc2)c1 3395163 VTVPUEQVZODDJW-QGZVFWFLSA-N 352.463 3.904 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3cc(C)cc(C)c3O)n[nH]2)cc1 12475337 MZYFIRZLTSSENU-UHFFFAOYSA-N 364.405 3.610 0 40 FHAB CCS(=O)(=O)N1c2ccc(C(=O)Nc3cccc(C)c3C)cc2C[C@H]1C 20448958 OGBCDXQADOBUFM-CQSZACIVSA-N 372.490 3.656 0 40 FHAB CC(C)=C[C@@H]1[C@@H](C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)C1(C)C 48324099 SUSRSQGHOHFWER-AABGKKOBSA-N 374.500 3.554 0 40 FHAB COC(=O)[C@@H](C)Sc1nnc(-c2ccccn2)n1-c1ccc(C)cc1C 48363575 QVSVCIDFYCIXFB-CQSZACIVSA-N 368.462 3.600 0 40 FHAB CCC[C@H](NC(=O)Cn1c(S)nnc1-c1cccs1)c1ccccc1 12861551 RQRAEAPAPSFDMV-AWEZNQCLSA-N 372.519 3.953 0 40 FHAB Cc1sc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)nc1-c1ccccc1 12933822 DURKHYZPSMQUTM-INIZCTEOSA-N 364.426 3.839 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)c1cc3ccccc3cc1O)CC2 13017447 YHYDNADSHXHLAN-UHFFFAOYSA-N 363.413 3.761 0 40 FHAB CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4061214 LIQRRNOQIKMVTQ-NWDASVTGSA-N 360.494 3.811 0 40 FHAB biogenic Cc1ccc(-c2nc3ccccc3c(=O)n2NC(=O)c2ccc(F)cc2)cc1 6032818 QANYSSPWUQBQKN-UHFFFAOYSA-N 373.387 3.895 0 40 FHAB O=C(CCCc1ccccc1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 9426488 HKECXRGBLNKABC-GOSISDBHSA-N 366.461 3.557 0 40 FHAB O=C(/C=C/c1ccco1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 6270424 AHJIAISVDKZUEV-JLHYYAGUSA-N 368.414 3.732 0 40 FHAB Cc1csc(=O)n1CCSc1nnc(NC2CCCCC2)s1 9481198 FXMLMSYHCUWBLL-UHFFFAOYSA-N 356.542 3.607 0 40 FHAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CN1CCC[C@@H]1c1ccccc1)C2=O 14183931 ZIQCQDRUJIAQQJ-CDMIOBSGSA-N 369.509 3.918 0 40 FHAB O=C(CSCCOc1ccccc1F)Nc1ccnn1C1CCCC1 6561120 QEHMIWUCDSSSDL-UHFFFAOYSA-N 363.458 3.888 0 40 FHAB O=C(CSc1nnc(Nc2ccccc2)s1)c1ccc2c(c1)OCO2 6559670 QHCNSSHLHWQNIM-UHFFFAOYSA-N 371.443 3.985 0 40 FHAB COCCn1c(-c2ccc3c(c2)OCO3)cnc1NCc1ccc(C)cc1 4679075 OFANQNXCCDONPC-UHFFFAOYSA-N 365.433 3.846 0 40 FHAB O=S(=O)(Oc1cccc2cccnc12)c1ccc(Br)cc1 4671150 LKLXCZIXEJPSRO-UHFFFAOYSA-N 364.220 3.765 0 40 FHAB C[C@@H](NC(=O)CO/N=C(\N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 14369094 SZDVBABPAGZYEN-LLVKDONJSA-N 366.248 3.508 0 40 FHAB CCn1c(-c2ccccc2)c(C(=O)CN2C(=O)CCC2=O)c2ccccc21 5710356 ZRVWNWUYMVHERX-UHFFFAOYSA-N 360.413 3.660 0 40 FHAB O=C(NCc1cc2ccccc2o1)N1CCN(c2ccc(Cl)cn2)CC1 66889434 ORXYXQARIKDAHB-UHFFFAOYSA-N 370.840 3.513 0 40 FHAB Cc1ccccc1-c1nnc(S[C@H](C)C(=O)NCC2CCCCC2)n1C 5860153 MDHMSBFVTHKZCD-OAHLLOKOSA-N 372.538 3.968 0 40 FHAB COc1ccc(-n2c(SCCO)nnc2-c2ccccc2Cl)cc1 6979551 MXNBVEUSCXHMEL-UHFFFAOYSA-N 361.854 3.681 0 40 FHAB CCc1nnc(NC(=O)CSCc2nc3ccccc3s2)s1 7347324 RZYZJGTWIYFYKX-UHFFFAOYSA-N 350.494 3.582 0 40 FHAB O=C(O)c1ccc(CSc2nnc(COc3ccc(Cl)cc3)o2)o1 408553151 OGVYAVZGHOLMND-UHFFFAOYSA-N 366.782 3.886 0 40 FHAB COc1ccc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccc(C)cc2)cc1F 16136526 BIAHIEOZOCONLW-SFHVURJKSA-N 373.424 3.956 0 40 FHAB CCOc1cccc([C@@H]2C[C@H]2Nc2ccc3nnc(C(F)(F)F)n3n2)c1 95463040 MYIJAVAOBIDERR-QWHCGFSZSA-N 363.343 3.510 0 40 FHAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cn1 16574792 ISBYSTQXRWTDLR-CYBMUJFWSA-N 356.422 3.572 0 40 FHAB CS(=O)(=O)N1CCc2cc(-c3csc(-c4cccc(F)c4)n3)ccc21 8225564 SWWGOSKXEIIYMY-UHFFFAOYSA-N 374.462 3.938 0 40 FHAB O=C(Cc1cn2ccsc2n1)Nc1ccc2c(c1)OC1(CCCC1)O2 9746185 ROMZCKQVULFMAI-UHFFFAOYSA-N 355.419 3.619 0 40 FHAB CC(=O)c1cc(Br)ccc1OCC(=O)Nc1cccc(C)c1 8395253 PMRACWZQSNSVIO-UHFFFAOYSA-N 362.223 3.978 0 40 FHAB COc1cc2ccccc2cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 17701837 MHBUXFIHOVRGPW-FQEVSTJZSA-N 360.457 3.853 0 40 FHAB COC(=O)c1ccc(CSCC(=O)N[C@H]2CCCc3ccccc32)cc1 25222014 RYRLJHVMDLQXMN-IBGZPJMESA-N 369.486 3.900 0 40 FHAB Cc1ccccc1Cc1nnc(CN2C[C@H](C)Oc3cc(F)ccc32)o1 95966274 KFNZBNMGGPXPRN-AWEZNQCLSA-N 353.397 3.895 0 40 FHAB Cc1ccccc1[C@@H](C)c1noc(-c2ccc(NS(C)(=O)=O)cc2)n1 545129789 VYXJQSXAQSAHNQ-CYBMUJFWSA-N 357.435 3.568 0 40 FHAB CN1CCC[C@@H](C(=O)Nc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)C1 76060841 QCCZNVOXSWCMMP-CQSZACIVSA-N 352.413 3.649 0 40 FHAB Cc1c(F)cccc1NC(=O)CSc1nnc(-c2ccccc2)n1C 409158296 XDZHUDPEJOZNDJ-UHFFFAOYSA-N 356.426 3.660 0 40 FHAB C[C@@H](Oc1ccccc1Br)C(=O)Nc1nc2ccccc2n1C 28227134 HQDINVMHYJUVMZ-LLVKDONJSA-N 374.238 3.742 0 40 FHAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 21323321 AMWNYKUCKPZJAI-UHFFFAOYSA-N 368.458 3.780 0 40 FHAB CC(=O)Nc1cccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)c1 20896873 RTIPEICHTCCYOS-UHFFFAOYSA-N 360.797 3.712 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1C 408605538 KOODRNVICPKSBV-UHFFFAOYSA-N 352.843 3.716 0 40 FHAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(Cl)c2)cc1Cl 30320450 YTMHCVIOLUWPJS-UHFFFAOYSA-N 360.262 3.823 0 40 FHAB COc1ccc(Oc2nccnc2[C@@H]2CCCN(C3CCOCC3)C2)cc1 72362844 ADAILIAEIFPQBV-MRXNPFEDSA-N 369.465 3.636 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)COc1ccc(C)cc1 219358333 GEVFOYIZZJIABH-UZLBHIALSA-N 357.450 3.745 0 40 FHAB CCOCCO[C@H](C)C(=O)Nc1cccc(COc2cccc(F)c2)c1 48234220 BPEMWQRMZQQXQJ-OAHLLOKOSA-N 361.413 3.785 0 40 FHAB O=C(NCc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 43739605 KIJABFCQOYNKGV-CYBMUJFWSA-N 363.244 3.663 0 40 FHAB CCOc1ccc(C(=O)N[C@@H](C)COC)cc1COc1ccc(C)cc1 224473310 IBTQDURJHLZVNR-INIZCTEOSA-N 357.450 3.737 0 40 FHAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccco2)c1 224517834 LEAXAVJXPCPHEP-MSOLQXFVSA-N 351.431 3.860 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 224119795 NMHDHJBXQDDZNG-LJQANCHMSA-N 372.896 3.826 0 40 FHAB COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)OCC(C)(C)CO2 225360785 UASZEMUTZYNFAN-UHFFFAOYSA-N 355.390 3.523 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 223621056 CFPYMRUHSXBHSI-INIZCTEOSA-N 372.896 3.744 0 40 FHAB COc1ccc(C[C@H](Oc2cccc3ccccc23)C(=O)O)c(OC)c1 225113255 ZOQVYGNONUMMJQ-FQEVSTJZSA-N 352.386 3.932 0 40 FHAB CCc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccc2ccccc2c1 225044632 KYJALKKYHMQSCX-UHFFFAOYSA-N 369.442 3.682 0 40 FHAB CS(=O)(=O)CCSc1nnc(-c2ccc(F)cc2)c2ccccc12 49908285 MSNXQKJOCSWKRR-UHFFFAOYSA-N 362.451 3.573 0 40 FHAB CCOc1ccccc1OCC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C 45674006 LETPPGCLMREANG-HXUWFJFHSA-N 367.449 3.854 0 40 FHAB COCCN1C(=O)C2(CCN(Cc3ccc(C)s3)CC2)c2ccccc21 96052511 QOWLSJVBBZNCGW-UHFFFAOYSA-N 370.518 3.583 0 40 FHAB O=C(c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1)N1CCCO1 96037800 JNRUCLHBELUBKW-UHFFFAOYSA-N 361.357 3.927 0 40 FHAB C[C@@H](NC(=O)C1CCCCC1)c1onc(-c2ccc(F)cc2)c1C(=O)O 96296962 LYBDIWFARJNFNB-LLVKDONJSA-N 360.385 3.936 0 40 FHAB biogenic,in-vitro Fc1ccc(CN2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)cc1 96051153 BYYHAUHQAKUCIF-IBGZPJMESA-N 361.411 3.958 0 40 FHAB CCCS(=O)(=O)CC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 331505872 KLHUPPUEAHHVGV-MRXNPFEDSA-N 357.903 3.609 0 40 FHAB CC(C)n1nccc1-c1cnc(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)cn1 257218155 DCAZYLNNGSYCIG-MRXNPFEDSA-N 369.513 3.748 0 40 FHAB CCn1nccc1-c1cccc(CC2CCN(C(=O)C(C)(C)C)CC2)n1 257229929 GAAJYEJHVTVTNC-UHFFFAOYSA-N 354.498 3.792 0 40 FHAB C[C@H]1COC(=O)N1c1cccc(C2CCN(C(=O)OC(C)(C)C)CC2)n1 257214521 CMIHCPPLENOHOL-ZDUSSCGKSA-N 361.442 3.541 0 40 FHAB CC(C)c1nccn1Cc1cccc(NC(=O)c2cc3c[nH]cnc-3n2)c1 1152996143 XYJZKKSDHOPEFO-UHFFFAOYSA-N 360.421 3.530 0 40 FHAB O=C(Nc1nc2c(s1)CN(C(=O)[C@H]1CC=CCC1)CC2)c1ccsc1 96024343 QAURICYOOMEEBK-LBPRGKRZSA-N 373.503 3.698 0 40 FHAB COc1cccc2cc(C(=O)NC[C@H](O)c3ccc(SC)cc3)oc12 96103120 PTWJHPAZBPAAAU-HNNXBMFYSA-N 357.431 3.627 0 40 FHAB O=C(NCc1ccc(-c2ccoc2)nc1)c1cc(-c2cccs2)[nH]n1 390831638 TUAUSWDHEIJTRU-UHFFFAOYSA-N 350.403 3.723 0 40 FHAB COC[C@H]1CN(Cc2cccs2)CC12CCN(Cc1ccco1)CC2 585102997 KLRNCZOBTRMAMW-QGZVFWFLSA-N 360.523 3.702 0 40 FHAB C=CC(=O)N1CCCC[C@H]1c1nc(C)cc(Nc2nc(C)c(C)s2)n1 585291604 SJWPBFUPYWGLAV-AWEZNQCLSA-N 357.483 3.842 0 40 FHAB Cc1ccc(Cl)c(OC[C@@]2(O)CCCN(Cc3ccc(O)cc3)C2)c1 585272992 MDQMKQWUVJGABX-HXUWFJFHSA-N 361.869 3.760 0 40 FHAB Cc1ccc2oc(C(=O)N3CC[C@@](O)(Cc4cccc(Cl)c4)C3)cc2n1 678059313 YKJSDLCRTOZYMP-HXUWFJFHSA-N 370.836 3.609 0 40 FHAB CCNC(=O)c1ccc(NC(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)cc1 77274017 DQYZQBPRJUCXKZ-WMLDXEAASA-N 369.440 3.985 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H](CNc2cccc(-c3nnco3)c2)C1 95412770 XQZSXMAXKAWAEM-CQSZACIVSA-N 358.442 3.796 0 40 FHAB Cc1ccccc1CN1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615124346 WPTNLNAHJQMWTO-UHFFFAOYSA-N 368.452 3.532 0 40 FHAB COc1cc(CNC(=S)Nc2cccc(Cl)c2)cc(OC)c1OC 5915745 QYEWMAGJHZZTEZ-UHFFFAOYSA-N 366.870 3.852 0 40 FHAB CC[C@H](C(=O)Nc1ccc(Cl)cc1)N(c1ccccc1)S(C)(=O)=O 13711043 MPRFGIBJIIOBFN-MRXNPFEDSA-N 366.870 3.523 0 40 FHAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NS(=O)(=O)Cc1ccccc1 14222692 QURGIUCABZVTFY-UHFFFAOYSA-N 373.453 3.629 0 40 FHAB Cc1ccc2nc(C(=O)N3CCC[C@H](COc4ccccc4C)C3)cn2c1 19234344 SHRMKVXKJWADAK-SFHVURJKSA-N 363.461 3.882 0 40 FHAB C[C@H](C(=O)N[C@H]1CCCc2nc(-c3ccncc3)ncc21)c1ccccc1 19459412 IMLIYUAUFXFUMZ-YWZLYKJASA-N 358.445 3.836 0 40 FHAB C[C@H]1C[C@H]1C(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1 19495894 MREHILJAZLOOGJ-KBXCAEBGSA-N 364.424 3.523 0 40 FHAB O=C(NCc1nn(C2CCCC2)c2c1COCC2)c1ccc(Cl)s1 206752797 VZHQKIVKJVKHDL-UHFFFAOYSA-N 365.886 3.716 0 40 FHAB COC(=O)c1c(N)c(-c2nc3ccccc3s2)nn1-c1ccccc1 4207250 RKIRWFPBEHEELS-UHFFFAOYSA-N 350.403 3.518 0 40 FHAB O=C(COc1ccccc1Cl)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12577042 LEAPPPSCUOOJHN-MRXNPFEDSA-N 355.825 3.959 0 40 FHAB Cc1nn(C)cc1NC(=O)c1cc(C(C)(C)C)nn1Cc1ccc(F)cc1 2037846135 PVNZDMNTIULQDH-UHFFFAOYSA-N 369.444 3.662 0 40 FHAB CC1(C)C[C@]2(CCO1)OC(=O)C[C@H]2C(=O)Nc1c(Cl)cccc1Cl 1079440 GTOISFOVUPTITK-BTDLBPIBSA-N 372.248 3.823 0 40 FHAB COC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(F)cc2)sc(C)c1C 4103887 QIUQIKHQGMQRRU-JTQLQIEISA-N 351.399 3.697 0 40 FHAB Cc1ccc(CNC(=O)CSc2ccc(-c3ccc(F)cc3)nn2)cc1 4356446 XFQOBHPWHQKNDB-UHFFFAOYSA-N 367.449 4.000 0 40 FHAB Cc1ccnc(NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)c1 5269929 GMCCQULKSAADDK-UHFFFAOYSA-N 353.809 3.506 0 40 FHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc2sc(C)nc2c1 5240902 SJPMRTRGEJEFFH-UHFFFAOYSA-N 360.460 3.651 0 40 FHAB CCN(CC)CCCNc1nc2sc3c(c2c2ncnn12)C[C@@H](C)CC3 5576175 LCXLJHAZOYFTED-ZDUSSCGKSA-N 372.542 3.608 0 40 FHAB O=C(Cc1csc(Nc2ccc(OC(F)(F)F)cc2)n1)N1CCCC1 16850125 DLCHFZXVPOFFQY-UHFFFAOYSA-N 371.384 3.950 0 40 FHAB O=C(NC[C@](O)(c1ccco1)c1cccs1)c1nc2ccccc2s1 225586133 AXMRDIABSNHZQF-SFHVURJKSA-N 370.455 3.617 0 40 FHAB O=C(NCC[C@H](O)c1cccc(Cl)c1)c1cccc(Br)c1 225609323 KNOFECNKCZMTNK-HNNXBMFYSA-N 368.658 3.956 0 40 FHAB CCOC(=O)[C@@H](CC)Sc1ccc2nnc(-c3ccc(C)cc3)n2n1 4164855 GQSVLMIXUQPXDT-CQSZACIVSA-N 356.451 3.534 0 40 FHAB CCN1C(=O)c2cccc3c(S(=O)(=O)Oc4ccccc4)ccc1c23 11691594 HZKLEVUWKFJZBC-UHFFFAOYSA-N 353.399 3.588 0 40 FHAB COc1cccc2cc(C(=O)NC[C@](O)(c3cccs3)C3CC3)oc12 75155319 OBMVNXXAMNPGIL-LJQANCHMSA-N 357.431 3.531 0 40 FHAB CCOc1ccc2nc(SCC(=O)Nc3cccc(OC)c3)[nH]c2c1 6389573 YRVQSOCUSQLMCI-UHFFFAOYSA-N 357.435 3.701 0 40 FHAB CN(C)CCNCCOCCOc1ccc(C(C)(C)c2ccccc2)cc1 20418919 TVBMWGGFUGDBBF-UHFFFAOYSA-N 370.537 3.559 0 40 FHAB COc1cc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2)cc(OC)c1O 32102057 SIJIPCYTFHCRFO-CQSZACIVSA-N 365.389 3.719 0 40 FHAB Cc1cc2occ(CC(=O)NCCCN3CCCC3=O)c2cc1C(C)C 32981754 LLCUDRNIMNPBRV-UHFFFAOYSA-N 356.466 3.536 0 40 FHAB O=C(COCc1nc2ccccc2s1)NCCc1cccc(Cl)c1 21925044 ADXKWEHYRBTFGS-UHFFFAOYSA-N 360.866 3.825 0 40 FHAB Cc1cc2nc(C)c(CCC(=O)Nc3nc4ccccc4s3)c(C)n2n1 22024748 KXRNIBFZDNPZFE-UHFFFAOYSA-N 365.462 3.836 0 40 FHAB O=C(COC(=O)Cc1ccc(Cl)cc1)NCC1(c2ccccc2)CCC1 22691677 JUGLCFWABMDQCB-UHFFFAOYSA-N 371.864 3.664 0 40 FHAB Cc1cc(C(F)F)n2nc(C(=O)Nc3cc(Cl)cc(Cl)c3)nc2n1 815218 PHTTXRQPWFTJPO-UHFFFAOYSA-N 372.162 3.929 0 40 FHAB CSc1nnc(S[C@H](C)C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)s1 104884574 ANGMGLJJSXKASZ-GCHJQGSQSA-N 357.570 3.682 0 40 FHAB O=C(C1=Cc2ccccc2OC1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10546596 RGFIXZGTLJYTAC-MRXNPFEDSA-N 359.429 3.745 0 40 FHAB Cc1ccc(Cn2nccc2NC(=O)[C@H](C)Oc2ccccc2F)cc1 28292256 OUQYJRJMITXNOK-HNNXBMFYSA-N 353.397 3.785 0 40 FHAB CCO[P@@](=O)(c1c(F)c(F)c(F)c(F)c1F)C1(O)CCCCC1 2320602 IJWQTQDJZLNFBB-QHCPKHFHSA-N 358.243 3.975 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2c[nH]c3ccccc23)c1C 7855231 GXFUAHGPRHCSMZ-CYBMUJFWSA-N 352.390 3.744 0 40 FHAB COc1cccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2C)c1 1379779 YRTWIGSBZKTLCR-SFHVURJKSA-N 353.422 3.639 0 40 FHAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1ccc2c(c1)OCCCO2 31564362 ZVBYNYKXEDRAPS-UHFFFAOYSA-N 367.430 3.948 0 40 FHAB CC(=O)c1c[nH]c(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 7963812 RLJZWCSCPWYKCZ-UHFFFAOYSA-N 353.447 3.847 0 40 FHAB Oc1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Br 3175864 HNRYVMPQNYJLQI-UHFFFAOYSA-N 358.117 3.883 0 40 FHAB COc1cc(Cl)c(NC(=O)c2cc(O)nc3ccccc23)cc1OC 11014631 RUDXOCDRKCBRFC-UHFFFAOYSA-N 358.781 3.863 0 40 FHAB Cc1ccccc1NC(=S)N1CCC(NC(=O)C2CCCCC2)CC1 4857681 NQXAVNVNNCHRLT-UHFFFAOYSA-N 359.539 3.853 0 40 FHAB Cc1ccc([C@H](C)NC(=O)c2cc(-c3ccccc3)nc3ncnn23)c(C)c1 36618889 UBPVRTOSXWOSAL-INIZCTEOSA-N 371.444 3.899 0 40 FHAB Nc1nc(CSc2ncccc2Cl)nc(Nc2ccc(F)cc2)n1 11251751 XTFNVLGLDXVFAE-UHFFFAOYSA-N 362.821 3.677 0 40 FHAB O=C1C[C@@H](C(=O)N2CCC[C@H]2c2cccs2)CN1c1ccccc1F 32674900 VDIIENDHQKOYOW-CJNGLKHVSA-N 358.438 3.604 0 40 FHAB C[C@H](NS(=O)(=O)c1ccccc1)c1ccc(OCc2cccnc2)cc1 45744560 NHCBWFVXWZWLCR-INIZCTEOSA-N 368.458 3.700 0 40 FHAB Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(F)cc3)o2)cc1 9198948 NUMQODWJGIXHDU-UHFFFAOYSA-N 357.410 3.839 0 40 FHAB Cc1ccc(OCCCN2C(=O)C(=O)c3cc(Br)ccc32)cc1 11612347 ZVRBNOIBNLHQQX-UHFFFAOYSA-N 374.234 3.756 0 40 FHAB COc1ccccc1NC(=O)C1CCN(CCO[C@@H]2CCCC[C@@H]2C)CC1 52641794 ZPSNMRGEGSYDPO-FXAWDEMLSA-N 374.525 3.941 0 40 FHAB O=C(COCc1cc(-c2ccc(F)cc2)on1)NCc1cccc(Cl)c1 9436277 RAXHMTACSMHOPH-UHFFFAOYSA-N 374.799 3.967 0 40 FHAB COc1ccc(C(C)=O)cc1COC(=O)c1cnc(Cl)c(Cl)c1 2659104 FIQFHMCIYFHNIL-UHFFFAOYSA-N 354.189 3.957 0 40 FHAB O=C(OCc1nc(-c2cccnc2)no1)c1ccc(SC(F)F)cc1 22380259 XTJMRJUGPQLVCR-UHFFFAOYSA-N 363.345 3.803 0 40 FHAB CN(C(=O)CCn1cnc2ccccc2c1=O)c1ccc2ccccc2c1 53458307 WVDOGTYFHHBNIK-UHFFFAOYSA-N 357.413 3.603 0 40 FHAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1C 729875 ILNMQJYBKJFSOP-AWEZNQCLSA-N 356.344 3.627 0 40 FHAB COc1ccc(CN2CC[C@@]3(C[C@@H](Nc4ccc(OC)cc4)CO3)C2)cc1 107728500 FTYOTOMNKQDXBK-DENIHFKCSA-N 368.477 3.549 0 40 FHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1c[nH]c2ccccc12 8349296 KBKRGCSANYNVEG-HNNXBMFYSA-N 359.433 3.511 0 40 FHAB Cc1nc(NC(=O)c2ccc(Cl)c(Cl)c2)sc1C(=O)N(C)C 1002014 HGZZAVIYIYLHPU-UHFFFAOYSA-N 358.250 3.712 0 40 FHAB CC(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1 47318113 KTUZALKXTBMKTG-UHFFFAOYSA-N 353.827 3.962 0 40 FHAB COC(=O)c1c(C)nc(C)nc1SCc1csc(-c2ccccn2)n1 24773947 HWXYTQMVYFVTIG-UHFFFAOYSA-N 372.475 3.691 0 40 FHAB COc1cccc(CN2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)c1 55393844 PEGYOWGUUWFOQX-UHFFFAOYSA-N 363.413 3.642 0 40 FHAB CCCCc1noc(CSCc2cc(=O)n3cc(Cl)ccc3n2)n1 56216606 FGLCKOQUCJFAER-UHFFFAOYSA-N 364.858 3.507 0 40 FHAB Cc1cc(C)c(NC(=O)CNc2ccc(CC(=O)NC(C)C)cc2)c(C)c1 25728459 CDHZSCOIOCCZRF-UHFFFAOYSA-N 367.493 3.730 0 40 FHAB O=C(Cc1cccc(Cl)c1)NC[C@H](O)c1cccc(C(F)(F)F)c1 107770289 HFBJNNIVZJDPMY-HNNXBMFYSA-N 357.759 3.751 0 40 FHAB CN1C[C@H](NC(=O)c2csc(-c3cccs3)n2)[C@H](c2ccccc2)C1 108146341 ZOOFMLGSIDJCFD-GJZGRUSLSA-N 369.515 3.699 0 40 FHAB C[C@H](N[C@@H](C)c1ccc(Cl)cc1)C(=O)NC(=O)NC1CCCCC1 57679510 GQCDOMQAWPVHTN-STQMWFEESA-N 351.878 3.538 0 40 FHAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1C 12543123 LQYAXQTZTTUZHA-OXQOHEQNSA-N 352.434 3.749 0 40 FHAB COc1cccc(N2C[C@H](C(=O)Nc3ccc(C)c(Cl)c3)CC2=O)c1 8247801 CPWHGBNQQHSSJW-CYBMUJFWSA-N 358.825 3.649 0 40 FHAB Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NCc1nc(C2CC2)no1 58179659 INOZCMYTCOUUHJ-ZDUSSCGKSA-N 354.454 3.740 0 40 FHAB COc1ccccc1[C@H](C)NCC(=O)Nc1ccc(OC(F)F)cc1 58163991 OEAGEIRCDNKOPB-LBPRGKRZSA-N 350.365 3.586 0 40 FHAB Cn1nccc1-c1nn2c(-c3cc(Cl)cc(Cl)c3)nnc2s1 44901677 XBADGRZUNQXGFL-UHFFFAOYSA-N 351.222 3.560 0 40 FHAB CSc1cc(C(=O)O)ccc1NS(=O)(=O)c1cc(Cl)ccc1C 58370568 NYYFCCIFTGRMCB-UHFFFAOYSA-N 371.867 3.869 0 40 FHAB Cc1cc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)c2c(C)noc2n1 29716376 OVLVHKJMHRJNMN-IBGZPJMESA-N 358.401 3.754 0 40 FHAB COc1cccc(CN(C)CC(=O)Nc2ccccc2Br)c1 3333091 RMMMQIPELNEDDI-UHFFFAOYSA-N 363.255 3.528 0 40 FHAB CCN(CC)[C@@H](CNC(=O)c1ccc(C(C)=O)s1)c1cccc(OC)c1 12745158 DLQBWSJUBPKEQG-KRWDZBQOSA-N 374.506 3.772 0 40 FHAB C[C@@H](C(=O)NCc1cccs1)N(C)Cc1ccc(C(F)(F)F)cc1 12751320 QXNPTQZACLLSSC-LBPRGKRZSA-N 356.413 3.904 0 40 FHAB NC(=O)Nc1cccc(C(=O)N2CCC(CCc3ccccc3)CC2)c1 12778035 YGAUMLGHTKVPHV-UHFFFAOYSA-N 351.450 3.662 0 40 FHAB COc1cc(CCNC(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OC(F)F 12772250 ZTGBJBZMFJTCDN-GXTWGEPZSA-N 356.413 3.717 0 40 FHAB COC(=O)Nc1ccc(CNC(=O)C2(c3cccc(Cl)c3)CC2)cc1 48356259 ZYJRGHXLEZBAFC-UHFFFAOYSA-N 358.825 3.866 0 40 FHAB CC(C)c1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2C)cc1 3414139 QWHDTSPMGWTVRO-UHFFFAOYSA-N 358.389 3.688 0 40 FHAB O=C(Cc1csc(COc2ccc(F)cc2)n1)NOCc1ccccc1 12917507 LDPGMIMJDJBMCC-UHFFFAOYSA-N 372.421 3.652 0 40 FHAB O=C(O)c1sc(Br)c(Br)c1Br 6090877 QEZRPOCNDKTQJO-UHFFFAOYSA-N 364.840 3.734 0 40 FHAB CC1CCN(c2nc(Nc3ccc(Cl)cc3)c3cnn(C)c3n2)CC1 17246098 BJPUAVMDSVAFKQ-UHFFFAOYSA-N 356.861 3.997 0 40 FHAB CCOc1ccccc1CN1C(=O)C(=O)c2cc(Br)cc(C)c21 5234822 JJQXQALHSPWDLB-UHFFFAOYSA-N 374.234 3.886 0 40 FHAB COc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2C)cc1 5262908 WZHRSZOPWNHFME-UHFFFAOYSA-N 353.447 3.920 0 40 FHAB Cc1nc(CN(C)C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)cs1 65516704 ITUOURDBPMOTNB-AEFFLSMTSA-N 359.495 3.761 0 40 FHAB CN(Cc1ccccc1)C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 14188357 CPMQKXDUMDNLDQ-UHFFFAOYSA-N 354.450 3.984 0 40 FHAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NC12CC3CC(CC(C3)C1)C2 14117528 UEEPBFKWYVLNHM-WWFGTJDESA-N 366.505 3.607 0 40 FHAB COc1ccc(NC(=O)CCn2c(=O)sc3ccccc32)cc1Cl 5452071 JFEJQPABHPWYMH-UHFFFAOYSA-N 362.838 3.754 0 40 FHAB COc1cccc(NC(=O)Cc2c(C)c3c(OC)cc(C)cc3oc2=O)c1 6660307 RZHXRNRRRWXQRY-UHFFFAOYSA-N 367.401 3.608 0 40 FHAB C[C@@H](OC(=O)C1c2ccccc2Oc2ccccc21)C(=O)NC1CCCC1 6600217 PDNQWGFYFPQWHV-CQSZACIVSA-N 365.429 3.915 0 40 FHAB C[C@@H]1CCC[C@H]2C1=NN(C(=O)c1ccc(Cl)cc1)[C@@]2(O)C(F)(F)F 409181861 GCSWADDBLXVKCC-LYSGOOTNSA-N 360.763 3.839 0 40 FHAB CC1=C(C(N)=O)[C@@H](c2ccccc2)N=C(SCc2ccc(F)cc2)N1 4893099 PBJVTCMANZLNJY-QGZVFWFLSA-N 355.438 3.519 0 40 FHAB CCN1CCN(c2ccccc2NC(=O)CCSc2ccccc2)CC1 24991842 LHGMEIBQNFUTCK-UHFFFAOYSA-N 369.534 3.949 0 40 FHAB CC[S@](=O)c1ccccc1C(=O)OCC(=O)c1cc(C)n(C2CC2)c1C 5823696 TXEGMHNQVZHJBD-AREMUKBSSA-N 373.474 3.607 0 40 FHAB O=C(CSc1nnc(Cc2ccccc2)o1)Nc1cc(F)ccc1F 4934280 QPSIPIBAZIYWLI-UHFFFAOYSA-N 361.373 3.669 0 40 FHAB Cc1cc(C)cc(CSCC(=O)N2CCN(Cc3ccccc3)CC2)c1 20237964 XTKMHZMKIWEZRE-UHFFFAOYSA-N 368.546 3.881 0 40 FHAB O=C(Nc1cccc(Br)c1)c1ccc(CN2CCCC2=O)cc1 7125943 OFRLGDIJKQPKQV-UHFFFAOYSA-N 373.250 3.824 0 40 FHAB COc1ccc(CNC(=O)[C@@H](C)N(C)Cc2c(F)cccc2Cl)cc1 7357386 XUABPJBKUXAJFH-CYBMUJFWSA-N 364.848 3.624 0 40 FHAB O=C(COc1ccccc1F)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9053447 SFNQTRDUBMVFDR-KRWDZBQOSA-N 371.408 3.730 0 40 FHAB COc1ccccc1OCC(=O)NCc1ccc(-c2csc(C)n2)cc1 9112150 GPTOWJUGRNIGPT-UHFFFAOYSA-N 368.458 3.822 0 40 FHAB COc1ccc(NC(=O)c2nnc3c(-c4ccccc4)c(C)nn3c2C)cc1 9484057 HIZXSHQBICVRCY-UHFFFAOYSA-N 373.416 3.669 0 40 FHAB O=C(COC(=O)c1ccc(F)c(Cl)c1)NCc1cccc(Cl)c1 67198015 DDLARIPRYBQONA-UHFFFAOYSA-N 356.180 3.606 0 40 FHAB C[C@H]1CN(C(=O)Cc2cc(-c3ccccc3)on2)C[C@H](c2ccccc2)O1 76017694 AFPJREXTOTWAJW-HRAATJIYSA-N 362.429 3.873 0 40 FHAB C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(Br)cc1Cl 95451383 HTBQWXPQHYOEGZ-LLVKDONJSA-N 373.722 3.905 0 40 FHAB Cc1csc2nc(CN[C@@H]3c4cccc(F)c4CC[C@H]3C)cc(=O)n12 95462625 SWGYQQLKCZHSOQ-ZMZPIMSZSA-N 357.454 3.617 0 40 FHAB OC1=Nc2[nH]ncc2[C@@H](c2ccc(OCc3ccccn3)cc2)SC1 79480878 LQTCJQIRMVINBJ-QGZVFWFLSA-N 352.419 3.808 0 40 FHAB CC(C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(F)cc1 20492731 QAUBWLBCGMQJBJ-UHFFFAOYSA-N 360.454 3.836 0 40 FHAB O=S(=O)(c1ccccc1-c1ccccc1)N1CCO[C@H]2CCCC[C@H]21 509573921 WFCMXKUHGOCKHN-MOPGFXCFSA-N 357.475 3.686 0 40 FHAB CC[C@H](C(=O)N(C)Cc1ccccc1N1CCOCC1)c1ccccc1 39995672 VLGSBGKKNXNZTL-FQEVSTJZSA-N 352.478 3.675 0 40 FHAB O=C(NCCOc1ccc(Cl)cc1)C1(c2ccccc2)CCOCC1 32710483 KFAGWRQYDHMOQP-UHFFFAOYSA-N 359.853 3.583 0 40 FHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(CC2CC2)C1 72391300 NPGMUACQQZFRBA-HSZRJFAPSA-N 363.505 3.529 0 40 FHAB Cc1nn(C)cc1CN1CCC[C@@H]1c1cccc(Nc2nccs2)n1 72375349 VKQZIMAEAUYZJP-MRXNPFEDSA-N 354.483 3.661 0 40 FHAB Cc1cc(Nc2cccc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)[nH]n1 72382280 VQPKHUFVYCNCHV-AWEZNQCLSA-N 357.458 3.971 0 40 FHAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccnc(O[C@@H]2CCOC2)c1 183335331 QHEIHZBYIAOPCE-GFCCVEGCSA-N 370.302 3.660 0 40 FHAB O=C(CCNC(=O)Nc1ccc(Br)cc1)Nc1ccccc1 40134470 KIIHYTZYLPRVJJ-UHFFFAOYSA-N 362.227 3.599 0 40 FHAB COc1cccc(-c2nnsc2C(=O)Nc2cc(C)ccc2OC)c1 225766757 KQENPGJGEYIKSL-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB O=Cc1cccc(OCc2nc(-c3ccc(Br)cc3)no2)c1 89262908 VBCXNKAZMQYENW-UHFFFAOYSA-N 359.179 3.891 0 40 FHAB Fc1cc(Br)ccc1NC(=S)NCCCN1CCCCC1 225410400 NNNVDZYIAHOVOK-UHFFFAOYSA-N 374.323 3.751 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl 224134662 DYBCMGPBKQHHCI-IBGZPJMESA-N 372.896 3.826 0 40 FHAB CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C[C@@H]1CCCO1 223316375 DENGVJWHGYTDPE-IPELMVKDSA-N 370.522 3.616 0 40 FHAB COCCCNC(=O)c1ccccc1NC(=O)CCc1ccc(C)c(C)c1 225350119 AJGFKHGEDQGNBP-UHFFFAOYSA-N 368.477 3.641 0 40 FHAB COc1ccc(C[C@@H](Oc2cccc3ccccc23)C(=O)O)c(OC)c1 225113216 ZOQVYGNONUMMJQ-HXUWFJFHSA-N 352.386 3.932 0 40 FHAB COC[C@H]1COCCC12CCN(C(=O)c1ccc3ccccc3c1)CC2 96106299 BJYTVAQRIZMEOY-FQEVSTJZSA-N 353.462 3.745 0 40 FHAB CCOc1nc(C)ccc1C(=O)N(C)[C@H]1CCCc2nc(CC)sc21 331814417 OTJVOQOHMHITNS-HNNXBMFYSA-N 359.495 3.957 0 40 FHAB CC(C)CN(C(=O)c1cn(C(C)(C)C)nn1)[C@H]1CCCc2cccnc21 330083111 HGUKJTGOFIRJCT-KRWDZBQOSA-N 355.486 3.604 0 40 FHAB O=C(Nc1ccc(Cn2ccnc2)cn1)[C@@H]1CC[C@@H]1c1ccc(F)cc1 529376541 BDWQOOLAOOYISM-QZTJIDSGSA-N 350.397 3.598 0 40 FHAB O=C(c1cc2ccccc2[nH]1)N1CC[C@]2(CCN2Cc2ccc(F)cc2)C1 96076059 HZQKZVWZOIDLLB-QFIPXVFZSA-N 363.436 3.798 0 40 FHAB Cc1ncsc1-c1ncccc1C(=O)N1CCC[C@]2(C)NCCCC[C@H]12 257330611 XPBWEUSZMAYLBB-JXFKEZNVSA-N 370.522 3.650 0 40 FHAB COc1ccc2c(N[C@H](C)c3ccc4nc(O)[nH]c4c3)ncnc2c1F 619621450 JCBPOOKCSLGEBJ-SECBINFHSA-N 353.357 3.533 0 40 FHAB COc1ccc2ccccc2c1CNC(=O)N[C@@H]1CCN(C(C)(C)C)C1 660272482 JACDKLURUYSVFJ-MRXNPFEDSA-N 355.482 3.520 0 40 FHAB CCCN(C(=O)c1ccc(C(F)(F)F)c(O)n1)[C@H]1C[C@@H](OCC)C1(C)C 669088328 UEPFFOUPFMFYDQ-UONOGXRCSA-N 374.403 3.862 0 40 FHAB CC[C@H](C)CN1C[C@H]2c3ccccc3[C@@H](NC(=O)c3cc(C)on3)[C@H]2C1 585109529 AUKBRNHGDXASKY-HKVPTBLXSA-N 353.466 3.529 0 40 FHAB COc1cccc(N2CCN(Cc3coc(-c4cccs4)n3)CC2)c1 57788868 YWCQXKGNYWKKKK-UHFFFAOYSA-N 355.463 3.734 0 40 FHAB Cc1ccc(CCCC(=O)Nc2cc(C)nn2-c2cc(C)nc(C)n2)cc1 75107662 YRGQVBFUKDINRG-UHFFFAOYSA-N 363.465 3.857 0 40 FHAB OCc1ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)c(Br)c1 98210671 CPKHEFDHGDNVJZ-QMMMGPOBSA-N 369.055 3.745 0 40 FHAB Cc1nnc(SCC(=O)N2CC[C@H](C)Sc3ccccc32)s1 5053940 OGZDPWGHWFEXPG-JTQLQIEISA-N 351.522 3.856 0 40 FHAB CCCCCNC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O 5304986 PKJOHLHAVSHDPK-UHFFFAOYSA-N 367.424 3.504 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)Cn1cnc2c(oc3ccccc32)c1=O 5797402 LIMDICAERFZIDM-UHFFFAOYSA-N 357.369 3.815 0 40 FHAB COc1ccc(-c2c(C)nn3c(NC[C@H]4CCCO4)cc(C)nc23)cc1 12113315 XDJUOUXVDMNKPM-QGZVFWFLSA-N 352.438 3.613 0 40 FHAB O=C(NCc1ccc(C(F)(F)F)cc1)c1ccccc1N1CCCC1=O 12797199 ZMUOVRFDDJPPRZ-UHFFFAOYSA-N 362.351 3.762 0 40 FHAB COc1cccc(-c2nc(CC(=O)N3CCc4ccccc43)cs2)c1 13727337 DRZXFCPYUZHYIS-UHFFFAOYSA-N 350.443 3.951 0 40 FHAB Cc1ccc(OCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1C 14400592 CRMAZTJNDJDCHV-UHFFFAOYSA-N 354.450 3.707 0 40 FHAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1Cl)c1cccnc1 19349771 NKYOXMYQUCSTSX-SFHVURJKSA-N 366.852 3.787 0 40 FHAB CCCn1ncc(C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)c1C 19525898 SELHIQVVOMAURC-HXUWFJFHSA-N 371.481 3.890 0 40 FHAB COc1cc(/C=C2/N=C(c3ccccc3Cl)OC2=O)ccc1OCC#N 6441221 APPZWPNIPCBHLW-XNTDXEJSSA-N 368.776 3.595 0 40 FHAB CC[C@H]1CCCCN1c1ncnc2c1nnn2Cc1ccccc1Cl 4966635 LOONZKBQWDGXFU-AWEZNQCLSA-N 356.861 3.692 0 40 FHAB Cc1ccc(CSCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 6248778 ZZSVPDQWRRHDTR-UHFFFAOYSA-N 356.491 3.704 0 40 FHAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(Br)c1 6879546 CSKWNMWHBFLVET-LLVKDONJSA-N 352.253 3.589 0 40 FHAB Cc1ccc(C)c(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 5019322 DDUNZPQJBSTLRE-UHFFFAOYSA-N 360.504 3.683 0 40 FHAB Cc1cccc(N2CCN(C(=O)CN3CCC[C@H]3c3cccs3)CC2)c1 10055652 JMUUDBFRJZZYLF-IBGZPJMESA-N 369.534 3.542 0 40 FHAB CCc1ccccc1NC(=O)c1cccn(Cc2cccc(F)c2)c1=O 5268730 RMVMJBVUPDIMQS-UHFFFAOYSA-N 350.393 3.850 0 40 FHAB O=C(NC[C@@H](O)Cn1c2ccccc2c2ccccc21)NC1CCCCC1 12249864 MVMRTLLFEHQJGW-QGZVFWFLSA-N 365.477 3.787 0 40 FHAB O=S(=O)(/C=C/c1ccccc1)NCc1cncc(-c2cccs2)c1 225668551 AHCSQNCXARCBAG-CSKARUKUSA-N 356.472 3.900 0 40 FHAB O=C(Nc1nc(C2CC2)cs1)[C@H]1CCCC(=O)N1Cc1ccc(F)cc1 2298049385 KHRCCEWFXAPFMO-MRXNPFEDSA-N 373.453 3.679 0 40 FHAB O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)[C@@H]1C[C@H]2CC[C@@H]1O2 71117665 ZAIPCLXPJQGSHC-KYJSFNMBSA-N 360.417 3.645 0 40 FHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 667758 PFFBKYVNULZBHY-UHFFFAOYSA-N 353.827 3.544 0 40 FHAB CN(C1=C(Cl)C(=O)N(c2ccccc2Cl)C1=O)C1CCCCC1 714311 RLCYSJDVQVVUOH-UHFFFAOYSA-N 353.249 3.928 0 40 FHAB CCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)OC)c2)cc1OCC 936350 VCCHWRXBWWSVHA-ZRDIBKRKSA-N 369.417 3.923 0 40 FHAB CCOc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)OC)cc1OCC 936352 BJDRSQVKJXKPNR-ACCUITESSA-N 369.417 3.923 0 40 FHAB CS(=O)(=O)c1ccc2nc(NC(=O)CCC3CCCCC3)sc2c1 997932 PBPYYCYUWIUOAZ-UHFFFAOYSA-N 366.508 3.999 0 40 FHAB CC(=O)c1cccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2cccc(F)c2)c1 1343607 BQMKLIVAPVCJSR-GOSISDBHSA-N 369.396 3.663 0 40 FHAB CC1(C)CC(=O)c2sc(NC(=O)COc3ccc(Cl)cc3)nc2C1 2503032 ONSHPTFUWADVBR-UHFFFAOYSA-N 364.854 3.969 0 40 FHAB CC(C)c1nnc(NC(=O)CCC(=O)N[C@@H]2CCCc3ccccc32)s1 2604674 IFNWDGTXTZETBO-OAHLLOKOSA-N 372.494 3.574 0 40 FHAB O=C(COc1ccc(Cl)cc1Br)NCc1cccs1 2632338 JVMRFILBLSIMLB-UHFFFAOYSA-N 360.660 3.859 0 40 FHAB Cc1ccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c(C)c1 2650654 SMHVIQCMLJEAAV-UHFFFAOYSA-N 366.442 3.604 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 2923389 OKEYNJDYPZXACJ-SFHVURJKSA-N 368.433 3.743 0 40 FHAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1ccc2c(c1)OCO2 3251427 LSQRRGUKOHIVMT-ZDUSSCGKSA-N 355.390 3.724 0 40 FHAB O=C(CSc1ccc2ccccc2c1)NC[C@@H]1COc2ccccc2O1 3357332 URMXCUHEZCBUCM-QGZVFWFLSA-N 365.454 3.888 0 40 FHAB CCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 3457130 BZQVUSWPPXPMOA-UHFFFAOYSA-N 372.881 3.816 0 40 FHAB COc1ccc2oc(C(=O)OCC(=O)N[C@@H](C)c3ccccc3)c(C)c2c1 4524979 SERVZJHLPNZBOK-AWEZNQCLSA-N 367.401 3.784 0 40 FHAB O=C(CSc1nnc2scc(-c3ccccc3)n12)NC1CCCCC1 4967178 OPJLHKHOSVKCOL-UHFFFAOYSA-N 372.519 3.999 0 40 FHAB Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)c1 5136568 IVNIDVGYWGMCNR-UHFFFAOYSA-N 372.490 3.731 0 40 FHAB O=C(CSc1nncs1)Nc1ccc2c(c1)OC1(CCCCC1)O2 5262704 DXOXSLKXEWWGEW-UHFFFAOYSA-N 363.464 3.701 0 40 FHAB COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C)cc1C 5504930 GFACCJVFIWCRFP-LJQANCHMSA-N 365.433 3.579 0 40 FHAB COc1ccc(C2=Nc3ccc(C)cc3C(c3cccnc3)=NN2)cc1OC 5750719 HIPYPJALLUXKSN-UHFFFAOYSA-N 372.428 3.841 0 40 FHAB CCc1ccc2nc(NC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)sc2c1 5825502 VHIVGLZSOYOMRR-ZDUSSCGKSA-N 357.479 3.588 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C)[nH]2)cc1 6141940 OGWYIAOYJKFONR-UHFFFAOYSA-N 354.435 3.520 0 40 FHAB Cc1ccccc1C(=O)NCC1CCN(C(=O)c2ccccc2C)CC1 6318687 GTBJIFDJPDWHIY-UHFFFAOYSA-N 350.462 3.586 0 40 FHAB CC(C)(C)c1ccc(C(=O)NCCC(=O)NCc2ccccc2F)cc1 6509538 DQRWQZJBEGUJSB-UHFFFAOYSA-N 356.441 3.560 0 40 FHAB O=c1c2[nH]c3ccc(Br)cc3c2ncn1Cc1ccccc1 6755355 DJDXYEKKFCHKNR-UHFFFAOYSA-N 354.207 3.689 0 40 FHAB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 8718281 IKZAFXWIMTZLAT-QFIPXVFZSA-N 364.445 3.634 0 40 FHAB Cc1cc(NC(=O)CN2CCC[C@@H](C(F)(F)F)C2)ccc1N1CCCC1 9367900 BYRONGBDZFMHSM-OAHLLOKOSA-N 369.431 3.808 0 40 FHAB O=C(/C=C/c1ccccc1OC(F)F)Nc1ccccc1C(=O)NC1CC1 10076450 LWILETIVCJPYPY-FMIVXFBMSA-N 372.371 3.832 0 40 FHAB Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)c1 10324349 QRKCIBIUTXYGDP-QGZVFWFLSA-N 374.506 3.713 0 40 FHAB Cc1cc(C)cc(NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 10336647 JYGRGMKKXAYJJI-QGZVFWFLSA-N 374.506 3.713 0 40 FHAB Cc1cc(OCCCC(=O)O[C@H](C(N)=O)c2ccccc2)ccc1Cl 11457915 LKCFVWYLJLDDND-SFHVURJKSA-N 361.825 3.577 0 40 FHAB O=C(CCCn1nc(-c2ccccc2)ccc1=O)Nc1ccccc1Cl 11693282 ISIZIUJXTREHLF-UHFFFAOYSA-N 367.836 3.983 0 40 FHAB CCC[C@@H](NC(=O)Cn1c(=O)oc2cc(Cl)ccc21)c1cccs1 12200211 PELIRXWTFUCNHI-GFCCVEGCSA-N 364.854 3.967 0 40 FHAB Cc1cc2c(cc1C)[C@H](O)CC1(CCN(C(=O)c3cccs3)CC1)O2 12364629 XEVGMISUJXSEFJ-MRXNPFEDSA-N 357.475 3.856 0 40 FHAB COc1cccc2c1O[C@@]1(C)C[C@@H]2NC(=S)N1CCc1ccccc1 12415487 ZAIAQKNMRAEKCW-JXFKEZNVSA-N 354.475 3.668 0 40 FHAB CCOc1ccc(/C=C(\C(=O)N2CCC(C)CC2)n2ccccc2=O)cc1 12467790 JSKWGESHBFURTC-CAPFRKAQSA-N 366.461 3.504 0 40 FHAB CCN(CC)Cn1nc(-c2ccncc2)n(-c2ccc(F)cc2)c1=S 12534620 VTBOGNAXGWQMNC-UHFFFAOYSA-N 357.458 3.904 0 40 FHAB CCN(CC)CC(CN(CC)CC)OC(=O)c1oc2ccccc2c1C 12650977 HWEDYENTAIIKBC-UHFFFAOYSA-N 360.498 3.950 0 40 FHAB COc1ccc(OC)c2c1CN(c1cc(C)nc3ccccc13)C[C@@H]2O 12753827 HGMPWKBENOGLRV-SFHVURJKSA-N 350.418 3.614 0 40 FHAB Cc1nc(C(=O)N[C@H](C)c2cccc(Cl)c2)nn1-c1ccc(F)cc1 12776472 TXXPDMUSCQJZBS-LLVKDONJSA-N 358.804 3.859 0 40 FHAB Cc1cc(C)c(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c(C)c1 12881651 UGMRFSGEGHLVGD-UHFFFAOYSA-N 350.418 3.513 0 40 FHAB COc1ccc(CCC(=O)Nc2ccc(OC)c(OC(F)F)c2)cc1 12945216 DGHBFAQMJDFFRN-UHFFFAOYSA-N 351.349 3.877 0 40 FHAB CCOc1ccccc1C(=O)N[C@H](C)c1nc(-c2ccc(OC)cc2)no1 13495078 WPTIQOCDTSUZJF-CYBMUJFWSA-N 367.405 3.635 0 40 FHAB Cc1ccccc1C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1 13571213 SRQKJMDTOZLTFR-UHFFFAOYSA-N 361.445 3.817 0 40 FHAB O=C(CN1C(=O)CSc2ccccc21)Nc1nc2ccc(F)cc2s1 14018818 NKXBKKRVZUCRES-UHFFFAOYSA-N 373.434 3.513 0 40 FHAB CNC(=O)c1ccc(CN(C)C(=O)/C=C/c2ccc(F)c(Cl)c2)cc1 14095825 HWUKZIYPIWERMN-UXBLZVDNSA-N 360.816 3.511 0 40 FHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc(Br)ccc1Cl 15539580 WWQYEHZYKHFWDS-UHFFFAOYSA-N 366.602 3.524 0 40 FHAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(-n3cnnn3)cc2)c1 15835137 ORIJCHOFKTZGBV-HNNXBMFYSA-N 365.437 3.500 0 40 FHAB CCc1sc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C 16109174 XDKSUAXTICRJMK-GFCCVEGCSA-N 351.493 3.513 0 40 FHAB O=c1/c(=C/C=C/c2ccccc2)sc2nc(/C=C/c3ccccc3)nn12 16779412 VCXDRILZARENEF-DWVGNRLYSA-N 357.438 3.534 0 40 FHAB Cc1noc(C)c1CCC(=O)N1CCC(c2cc3ncccc3[nH]2)CC1 19580606 BQFAWLDDYCPFSO-UHFFFAOYSA-N 352.438 3.507 0 40 FHAB CCc1cc2c(=O)c(-c3nc(C)cs3)c([C@H]3CCCN3)oc2cc1O 19703413 BIGWHEBJLPCCRA-CYBMUJFWSA-N 356.447 3.917 0 40 FHAB biogenic Cc1nccn1[C@@H](C(=O)NCc1ccccc1N1CCCC1)c1ccccc1 19718826 HVULJMBDPJBNLF-JOCHJYFZSA-N 374.488 3.698 0 40 FHAB CC(C)c1ccc(NC(=O)[C@@H](NC(=O)COc2ccccc2)C(C)C)cc1 20900612 QPJQPYZXCQOHNV-NRFANRHFSA-N 368.477 3.968 0 40 FHAB NC(=O)c1ccc(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)cc1 21222266 XIESNNJBAJZWLR-UHFFFAOYSA-N 364.376 3.756 0 40 FHAB COc1cccc(Nc2nc(NCCc3ccccc3)nc3c2cnn3C)c1 21873667 MQDYKDPYNJPJOE-UHFFFAOYSA-N 374.448 3.770 0 40 FHAB COc1ccc(C)cc1NC(=O)CNC(=O)c1ccc2c3c(cccc13)CC2 23003061 AVNQCLIZHUBRPC-UHFFFAOYSA-N 374.440 3.624 0 40 FHAB COc1cc(NC(=O)Cc2ccc3c(c2)CCCC3)cc(OC)c1OC 23227114 BGTFBRNVIVNMJT-UHFFFAOYSA-N 355.434 3.772 0 40 FHAB COCc1c(C(=O)NC2(c3noc(C)n3)CCCCC2)oc2ccccc12 23507944 VDOJAPUSTGQMOA-UHFFFAOYSA-N 369.421 3.860 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)NCCOc1cccc2c1OC(C)(C)C2 24450397 KKEWVDWMIXYADM-UHFFFAOYSA-N 364.445 3.999 0 40 FHAB O=C(Nc1cc(-c2ccc(Cl)cc2)no1)[C@H]1COc2ccccc2O1 27662957 LRZYJMFTUGXRDJ-MRXNPFEDSA-N 356.765 3.774 0 40 FHAB Cn1cc(C(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc23)cn1 27816735 WYRDXQQIOIFKSC-INIZCTEOSA-N 350.447 3.525 0 40 FHAB COc1ccc([C@@H](C)NC(=O)CCc2nnc(-c3ccccc3)o2)cc1F 32747636 HWUNHZLNRIZDTR-CYBMUJFWSA-N 369.396 3.694 0 40 FHAB CCn1c(C)nnc1SCc1nc(-c2ccc(OC)c(OC)c2)oc1C 33130643 MLXZSUNUZYGILJ-UHFFFAOYSA-N 374.466 3.879 0 40 FHAB COc1ccc(C(=O)Nc2ccc(N)cc2Cl)cc1Br 38073930 BKYUARXADQZMDF-UHFFFAOYSA-N 355.619 3.946 0 40 FHAB COC(=O)c1cc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)ccc1F 40082853 GPJNBEFKUMHMAO-UHFFFAOYSA-N 373.771 3.908 0 40 FHAB CC(=O)c1ccc(NC(=S)NC[C@@H]2CCN(c3ccccc3)C2)cc1 44135029 QJOWIWYPLMDEQH-INIZCTEOSA-N 353.491 3.702 0 40 FHAB C[C@@H](SCc1ccccc1)C(=O)NCCc1cnn(-c2ccccc2)c1 44414293 DCJUMCINWPKZGR-QGZVFWFLSA-N 365.502 3.853 0 40 FHAB COc1ccc(NC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cn1 48230735 XUWQGVAEOVSKNH-INIZCTEOSA-N 374.510 3.746 0 40 FHAB CC(C)Cn1c(S[C@H](C)c2ccc(F)cc2)nnc1N1CCOCC1 48325201 RKVULRHIECAWIF-CQSZACIVSA-N 364.490 3.763 0 40 FHAB Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)NCC(C)C)C3)nn2)cc1C 48990647 XJUFNRKOAYJYIW-LJQANCHMSA-N 366.509 3.749 0 40 FHAB COCCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c(F)c2)cc1OC 49160039 OPJSMCIZDFGPDR-CQSZACIVSA-N 361.413 3.659 0 40 FHAB COc1ccccc1C1(CNC(=O)N(C)C(C2CC2)C2CC2)CCOCC1 51280590 KRGCIYFKTWWBNQ-UHFFFAOYSA-N 372.509 3.573 0 40 FHAB Cc1ccc(-c2nc(C)c(C(=O)N3CCC4(CC3)OCCO4)s2)c(C)c1 58216913 ANXGPDHAICMCSH-UHFFFAOYSA-N 372.490 3.714 0 40 FHAB COc1cc([C@@H]2CC(O)=Nc3c2cnn3C2CCCC2)cc(OC)c1O 71280465 WKQJEWHXZVYYSD-ZDUSSCGKSA-N 357.410 3.845 0 40 FHAB Nc1nc(Cl)cc(Sc2nc3c(n2-c2ccccc2)CCCC3)n1 72274611 KIYZGRDKBVXTEH-UHFFFAOYSA-N 357.870 3.928 0 40 FHAB Cc1nc([C@@H]2CCCCN2CCCc2ccccc2)ncc1C(=O)N(C)C 72345467 MGCSYJOCOOWMOB-FQEVSTJZSA-N 366.509 3.647 0 40 FHAB Cc1nc(Nc2ncccc2C)cc([C@@H]2CCCN2C(=O)c2cccnc2)n1 72360249 JNHKEKPZMAEIBO-SFHVURJKSA-N 374.448 3.604 0 40 FHAB Cc1nccn1-c1cccc([C@@H]2CCCN(CCOc3ccccc3)C2)n1 72379202 ZKLVOSYYNQXTBQ-LJQANCHMSA-N 362.477 3.834 0 40 FHAB CCc1nn2c(c1-c1ccccc1)NC(=O)[C@H]2CC(=O)Nc1ccc(C)cc1 72453188 JBFANAVIAYNEDF-GOSISDBHSA-N 374.444 3.943 0 40 FHAB CCCN(CC(=O)NCc1cccs1)[C@@H]1C[C@H](OCC)C12CCCC2 76019812 ZKWOVTREISEHSD-MSOLQXFVSA-N 364.555 3.814 0 40 FHAB COc1ccc([C@@H](C)NC(=O)c2ccc(-c3noc(C)n3)cc2)c(OC)c1 84281495 ASOSYRUIDZOGLB-GFCCVEGCSA-N 367.405 3.553 0 40 FHAB O=C(Cc1ccccc1Cl)NCCCn1ccnc1-c1ccccc1 85555077 NHPWZFVYXNAYGS-UHFFFAOYSA-N 353.853 3.953 0 40 FHAB O=C(c1cccc2cccnc12)N1CCN(c2ccc(F)cc2Cl)CC1 89807955 IYXCOICRUYKARQ-UHFFFAOYSA-N 369.827 3.990 0 40 FHAB Cc1cccc(C)c1OCCN(C)Cc1ccccc1N1CCOCC1 95469157 TXSNSTVOSNFUMF-UHFFFAOYSA-N 354.494 3.651 0 40 FHAB O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1csc(Cl)n1 95945662 FLWSLKFAHPBKEQ-JTQLQIEISA-N 355.822 3.779 0 40 FHAB O=C1N[C@@H](c2ccc(OC(F)F)c(Br)c2)Nc2ccccc21 95982505 RQBNIRMYQQWXNA-ZDUSSCGKSA-N 369.165 3.905 0 40 FHAB Cn1c2ccccc2c2c1cc(C(=O)NC1CCCCC1)n2-c1ncccn1 96146338 UUZSHTGRICFYGX-UHFFFAOYSA-N 373.460 3.975 0 40 FHAB Cc1ccc(CN2CCC3(CC2)CO[C@H](COCc2ccncc2)C3)o1 96218329 RROSHTNXBXKDJW-FQEVSTJZSA-N 356.466 3.571 0 40 FHAB CCNC(=O)c1cc(NCc2ccc(OC)c(F)c2)nc2ccccc12 97165699 BHUXRLAVQPRHSV-UHFFFAOYSA-N 353.397 3.744 0 40 FHAB COc1ccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc(C)cc23)cc1OC 100889842 QYQMHHOGPKLFST-QRWLVFNGSA-N 354.406 3.782 0 40 FHAB CSc1ccccc1C(=O)OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 102782361 FHTQPXHUOZXIHU-VLIAUNLRSA-N 361.507 3.993 0 40 FHAB O=C(CCc1ccc(Cl)cc1Cl)NCc1ccc2c(c1)OCO2 105836961 WSPLDDRFTASYBC-UHFFFAOYSA-N 352.217 3.971 0 40 FHAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCC 224020798 AGVAPFSZTRGYBL-OAQYLSRUSA-N 366.505 3.953 0 40 FHAB COc1ccc(C(=O)NC2CCCC2)cc1COc1ccccc1OC 224238225 XAHGCNMZCDUQPE-UHFFFAOYSA-N 355.434 3.955 0 40 FHAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCOc3ccccc3)cc2)C1 224332829 LSRFHJRKSXRTDX-SFHVURJKSA-N 352.478 3.727 0 40 FHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccccc1OC 224452037 HORABEKHAJJMFV-SFHVURJKSA-N 357.450 3.665 0 40 FHAB CCOc1ccc(C(=O)NCc2ccccc2OC)cc1COC(C)C 224720686 NFTFXPWVTNBLNX-UHFFFAOYSA-N 357.450 3.949 0 40 FHAB CCCSc1nnc(NC(=O)c2ccc(Cn3ccnc3C)cc2)s1 225301021 AOIBATAWJITSES-UHFFFAOYSA-N 373.507 3.846 0 40 FHAB CCN(CC)CCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 225589743 BXLKFVJNVXLRLJ-UHFFFAOYSA-N 353.677 3.716 0 40 FHAB Cc1cccnc1NC(=S)NCc1nc(-c2ccc(Cl)cc2)no1 225821471 HCNQSPCSKPYBAI-UHFFFAOYSA-N 359.842 3.580 0 40 FHAB COc1ccc(NC(=O)C(F)(F)F)cc1-c1cc2ccccc2oc1=O 226358412 HRQVZSUIOPKRJZ-UHFFFAOYSA-N 363.291 3.969 0 40 FHAB O=C(NC[C@@H](c1ccco1)N1CCSCC1)c1c(F)cccc1Cl 244975153 IDMZTEJBUMVETA-AWEZNQCLSA-N 368.861 3.592 0 40 FHAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)C(C)C)CC2)n1 257316546 VGAXZZMBJXMVKJ-QAQDUYKDSA-N 352.482 3.893 0 40 FHAB O=C(Oc1cccc2cccnc12)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 408673857 XVOPTLGZBRVRFJ-AWEZNQCLSA-N 366.804 3.847 0 40 FHAB CCN1C(=O)S/C(=C\c2cc(Br)c(OC)c(OC)c2)C1=O 409069650 WPVGCUDTBAYOFM-XFFZJAGNSA-N 372.240 3.523 0 40 FHAB CCN1C(=O)N/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C1=O 409173345 PESRLVVCOYEQFT-LCYFTJDESA-N 361.195 3.622 0 40 FHAB CN(C)CCN(CCCc1ccccc1)C(=O)c1cn(C)c2ccccc12 502373203 FCRKGUKWDYYFIJ-UHFFFAOYSA-N 363.505 3.815 0 40 FHAB C[C@H]1C[C@H](C(=O)O)C[C@@H](C)N1Cc1cc(Cl)c2c(c1)OCCCO2 530175049 CLWZWDRTAVRERH-DABQJJPHSA-N 353.846 3.575 0 40 FHAB Cc1cnc(C(C)(C)NC(=O)c2cc3cc(Br)ccc3[nH]2)[nH]1 568069977 VPHANCBQJQYDKE-UHFFFAOYSA-N 361.243 3.627 0 40 FHAB C[C@@H]1CN(c2cc(C(=O)N3CCC(C)(C)c4ccccc43)ccn2)CCO1 585084113 RSGZPDMJDDPZLJ-MRXNPFEDSA-N 365.477 3.635 0 40 FHAB C=CC(=O)Nc1cccc(C(=O)Nc2cccc3c2OC(C)(C)C[C@H]3O)c1 1304255741 GRQHIKPTQSOPES-QGZVFWFLSA-N 366.417 3.658 0 40 FHAB O=C([C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCC(F)(F)CC1 2298212741 WDTRDGMXLFNVRK-OAHLLOKOSA-N 356.844 3.810 0 40 FHAB CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)CC1 3242054 ACKCYKMQFXBODH-UHFFFAOYSA-N 361.438 3.750 0 40 FHAB CC(=O)c1cccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2C)c1 1343571 MAWPDHUAQPAWOI-IBGZPJMESA-N 365.433 3.833 0 40 FHAB O=C(CSc1nnc(NCc2ccccc2)s1)NC1CCCCC1 3221996 YPFZHPWWSHWCJB-UHFFFAOYSA-N 362.524 3.691 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc2c(c1)OCCO2 4926056 CICPKRDLGKMZSR-ZDUSSCGKSA-N 365.385 3.676 0 40 FHAB CCCCCn1nc(C(=O)NCc2ccccc2F)c2ccccc2c1=O 6839338 WNXQRKCQNSCTDL-UHFFFAOYSA-N 367.424 3.656 0 40 FHAB O=C(CSc1nnc(C2CC2)n1C1CC1)NC12CC3CC(CC(C3)C1)C2 7851298 BTYZOGAIPVEBJU-UHFFFAOYSA-N 372.538 3.668 0 40 FHAB Cc1cccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1C 1946659 MZESMKRCQFJLNM-LLVKDONJSA-N 372.490 3.606 0 40 FHAB Cc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccccc1Br 1981913 JCPIMQJUPRXYQO-LBPRGKRZSA-N 362.223 3.942 0 40 FHAB CCc1ccccc1NC(=O)c1cccc(NC(=O)CCCC(=O)O)c1 8434592 ZYQHBNWVOMSGOH-UHFFFAOYSA-N 354.406 3.695 0 40 FHAB Cc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1C 8959382 OCPZXHABLGZUEC-UHFFFAOYSA-N 352.434 3.937 0 40 FHAB Cc1ccc([C@H](CNC(=O)COc2ccc(F)cc2)N2CCCCC2)cc1 27581597 NLRFBIKLMVNKAM-NRFANRHFSA-N 370.468 3.856 0 40 FHAB Cc1ccccc1Cc1nnc2sc(COc3ccc(F)cc3)nn12 2183299 FNUFAGBSWKSNRT-UHFFFAOYSA-N 354.410 3.803 0 40 FHAB CCCOc1ccc(NC(=O)c2cc(S(C)(=O)=O)ccc2C)c(C)c1 55989849 OYZSQKRBKGVPDL-UHFFFAOYSA-N 361.463 3.748 0 40 FHAB CCOc1ccccc1-c1cc(C(=O)N2CCC[C@@H]2c2cc(C)on2)n[nH]1 48064613 FKZWXAGCEVMURP-GOSISDBHSA-N 366.421 3.749 0 40 FHAB O=C1NC2(CCCCCCC2)C(=O)N1CCOc1cccc(Cl)c1 9417114 FERPJLVVWIPTRP-UHFFFAOYSA-N 350.846 3.754 0 40 FHAB COC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2C)ccc1Cl 58357063 AHWMIUBGDMAWCL-UHFFFAOYSA-N 353.827 3.544 0 40 FHAB CC(C)OC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 2284554 GHBYFOHXACDMRO-UHFFFAOYSA-N 360.417 3.780 0 40 FHAB O=C(CCc1ccccc1Cl)N1CCC[C@H]1c1nnc2n1CCCCC2 36397204 LIANVPHTAPIRHJ-KRWDZBQOSA-N 372.900 3.954 0 40 FHAB O=C1O[C@H](C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)Cc2ccccc21 27081311 DVOMNOSKKMHQJF-NRFANRHFSA-N 355.393 3.978 0 40 FHAB COc1cccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 3349498 JMXLLIFWIMZZLG-UHFFFAOYSA-N 364.367 3.676 0 40 FHAB Cc1ccc(Cn2nccc2NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 28403658 KEGSKLUAYFFLRX-OAHLLOKOSA-N 353.397 3.785 0 40 FHAB Cc1nn(Cc2cc(C(=O)O)c3ccccc3n2)c(C)c1Br 2554073 HQQAXKANKIEYLG-UHFFFAOYSA-N 360.211 3.557 0 40 FHAB COc1ccc(OC)c(-c2c(C)c3ccc(OC(C)=O)cc3oc2=O)c1 11865146 IUUDCWCNURVEAW-UHFFFAOYSA-N 354.358 3.711 0 40 FHAB biogenic CC(=O)NCCCCCC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 56130653 VVCNQGJQZMELIU-UHFFFAOYSA-N 365.905 3.965 0 40 FHAB CC(=O)c1ccc(N2CCN(Cc3cc(-c4ccccc4)no3)CC2)cc1 12593177 JUSQTBQVMAIQCI-UHFFFAOYSA-N 361.445 3.866 0 40 FHAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(OC)cc1)O[C@@H](C)C2 12586875 VBTPMBVOKVPRKW-UONOGXRCSA-N 370.449 3.856 0 40 FHAB Cc1cccc(Nc2nnc(SCC(=O)NC(C)(C)C)s2)c1C 3372592 FXFRCEOBBZAUMC-UHFFFAOYSA-N 350.513 3.905 0 40 FHAB COC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1cccs1 12737083 YAWXJRQJUHLGOV-KRWDZBQOSA-N 353.443 3.864 0 40 FHAB CC(C)(C)c1ccc(CSc2nnc(CCC(N)=O)n2C2CC2)cc1 12763276 NTKLSMKDYLVDBN-UHFFFAOYSA-N 358.511 3.621 0 40 FHAB Cc1ccc(-c2nnc(SCC(N)=O)n2-c2ccccc2C(C)C)cc1 3428034 NIFFBOZQAPXXIX-UHFFFAOYSA-N 366.490 3.944 0 40 FHAB CCOc1ccccc1NC(=O)c1cn(CC)c2ccc(OC)cc2c1=O 22235827 XIMASGFZXYBKMA-UHFFFAOYSA-N 366.417 3.681 0 40 FHAB CN(C)[C@H](CNC(=O)c1cc(Br)ccc1Cl)c1ccco1 3491257 LHQNNFQZLGCNMC-CYBMUJFWSA-N 371.662 3.728 0 40 FHAB FC(F)(F)c1cccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1 12940020 CDKVYOCCYBKUOJ-UHFFFAOYSA-N 360.383 3.904 0 40 FHAB Nc1c(Cl)cc(NS(=O)(=O)c2ccc(F)cc2F)cc1Cl 12995204 ORTFCVPUTBFHOM-UHFFFAOYSA-N 353.177 3.655 0 40 FHAB Cc1nc(C(C)(C)C)nc2sc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c(C)c12 12999927 YLJMCQXWAGHSNS-GHMZBOCLSA-N 361.511 3.855 0 40 FHAB CCCCC(=O)Nc1nc(-c2ccc(CCNC(C)=O)s2)cs1 9337149 KLNYQHGCRZOGMO-UHFFFAOYSA-N 351.497 3.679 0 40 FHAB CC(C)CC(=O)NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1 4091631 PWIAASWOYCLOOG-UHFFFAOYSA-N 354.435 3.749 0 40 FHAB CCCCOC(=O)c1ccc(NC(=O)Cn2cnc3ccccc32)cc1 5199039 COJYYLNALZGVQG-UHFFFAOYSA-N 351.406 3.632 0 40 FHAB O=C(Nc1cccc(F)c1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 6228800 JSSRSYJYIUOBJM-UHFFFAOYSA-N 373.387 3.836 0 40 FHAB CC(=O)N1CCC[C@H]1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 39975689 JZZVDBQXLXSFRN-LBPRGKRZSA-N 368.277 3.674 0 40 FHAB Cc1ccc2nc(N3C(=O)/C(=C\c4ccccc4)NC3=S)sc2c1 4475053 JJYGJYBNNVIPSC-GXDHUFHOSA-N 351.456 3.867 0 40 FHAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(C(N)=O)s2)cc1 65476133 VANMGSWRCLIAQK-HNNXBMFYSA-N 358.463 3.613 0 40 FHAB CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CCOc2ccccc2)C1=O 5304464 ALDVHCZYYSIVDY-OAQYLSRUSA-N 370.424 3.842 0 40 FHAB COc1ccccc1NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 14168064 UGTQPIZKZTUFRD-INIZCTEOSA-N 354.406 3.835 0 40 FHAB CONC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 14198035 XZEPXIWWHAJTEN-UHFFFAOYSA-N 356.205 3.872 0 40 FHAB COc1ccccc1C1=NO[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1 20274785 ZTDLEDSWHRZNSN-INIZCTEOSA-N 364.323 3.846 0 40 FHAB CCOC(=O)c1sc(NC(=O)c2nc(Cl)ccc2Cl)nc1C 14866399 LFWQCSDANFLIGP-UHFFFAOYSA-N 360.222 3.582 0 40 FHAB O=c1c2sccc2n(Cc2ccc(Cl)cc2)c(=O)n1-c1ccccc1 4877842 GAZHKWZKPGGNBB-UHFFFAOYSA-N 368.845 3.916 0 40 FHAB COc1cccc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1 6954353 GUACOPZYVBMFBP-UHFFFAOYSA-N 363.820 3.842 0 40 FHAB CCn1cnc2sc(-c3nc(-c4cccc(C)c4)no3)c(C)c2c1=O 67260264 IRPLBVFZPZXKSQ-UHFFFAOYSA-N 352.419 3.812 0 40 FHAB O=C(CN(Cc1ccc(F)cc1)C1CC1)NCCc1cccc(Cl)c1 7789652 HQGNHFVNGIOGLC-UHFFFAOYSA-N 360.860 3.802 0 40 FHAB C[C@@H]1CCc2c(sc3nc(-c4cccnc4)nc(SCCO)c23)C1 7780763 ZDOHWLZSPMHQPT-LLVKDONJSA-N 357.504 3.963 0 40 FHAB C[C@@H]1CN(C(=O)c2ccc(CNC(=O)C3CCCCCC3)cc2)C[C@@H](C)O1 72077258 SJLDNKLJSHIYQW-IAGOWNOFSA-N 372.509 3.523 0 40 FHAB COc1ccc(CSc2nnc(C)n2C2CC2)cc1Br 7841182 AWEUBSCUNUKKBW-UHFFFAOYSA-N 354.273 3.985 0 40 FHAB O=C1c2ccccc2C(=O)N1CCCc1nc2cccc3cccc([nH]1)c32 68732075 LBQWQASYZLTEKN-UHFFFAOYSA-N 355.397 3.945 0 40 FHAB Cc1cccc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1 8040021 JRNDNVBPLUELBW-UHFFFAOYSA-N 356.425 3.991 0 40 FHAB O=C(Cc1cccs1)Nc1cccc(-c2nnc3n2CCCCC3)c1 8237033 YEVXJQGHJLOZFP-UHFFFAOYSA-N 352.463 3.914 0 40 FHAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCCC[C@@H]1C1OCCO1 69200557 UPGGPRVOZJKZEB-OAHLLOKOSA-N 361.825 3.968 0 40 FHAB C[C@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1cccnc1 8341954 MCASXMAUZFQYKF-NSHDSACASA-N 373.865 3.557 0 40 FHAB CCCOc1ccc(CN[C@@H](Cc2ccccc2)C(=O)OCC)cc1OC 97049977 KTYLMYZZUZXQCZ-IBGZPJMESA-N 371.477 3.748 0 40 FHAB O=C(c1cncn1-c1ccccc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 8707759 SWRFQHBIGWNTLE-MRXNPFEDSA-N 371.444 3.768 0 40 FHAB Cn1c(CNC(=O)C2(Sc3ccccc3)CCCC2)nnc1C1CCC1 96012086 LZSGJNJZNIDDIQ-UHFFFAOYSA-N 370.522 3.804 0 40 FHAB Cc1cccc(CN2C(=O)N/C(=C/c3ccccc3Br)C2=O)c1 409230652 DXNAREGDPWXOEB-MHWRWJLKSA-N 371.234 3.850 0 40 FHAB Cc1cccc2nc(CNc3ccc(C(=O)N4CCC[C@@H](C)C4)cn3)cn12 95958834 XJXMIRVOFRQWOF-OAHLLOKOSA-N 363.465 3.522 0 40 FHAB COc1ccc([C@@H](O)[C@@H](C)NC(=O)c2cc(C)nc3ccc(C)cc23)cc1 89657502 WSQFQFYSZAEWCE-VFNWGFHPSA-N 364.445 3.712 0 40 FHAB COCc1nc2nccc(-c3cc4c(cc3C)NC(C)(C)C[C@@H]4C)n2n1 1548338374 SUVWAFUMLUUSFL-ZDUSSCGKSA-N 351.454 3.944 0 40 FHAB NC(=O)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 29298758 BRDLUHQBBVDANV-UHFFFAOYSA-N 372.852 3.655 0 40 FHAB CCc1ccc(N2C[C@@H](C(=O)NCc3cccc(Cl)c3)CC2=O)cc1 408706532 AXIMRFZMHMTZLY-INIZCTEOSA-N 356.853 3.572 0 40 FHAB COc1cccc(O[C@@H](C)C(=O)Nc2cc(OC)c(Cl)cc2OC)c1 30857884 BEGNAHSPXMVISZ-NSHDSACASA-N 365.813 3.772 0 40 FHAB Cc1cc(O)c(/C(=C\C(=O)O)C[P@](=O)(O)CCc2ccccc2)cc1C 36369987 UPCOZCBCBWQLCC-ATVHPVEESA-N 374.373 3.990 0 40 FHAB biogenic COc1ccc(CN2CCC[C@H](c3nnc(-c4ccncc4)o3)C2)cc1 72389947 OQTDWUVSQSGBCP-KRWDZBQOSA-N 350.422 3.520 0 40 FHAB COc1cc([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCC2)ccc1O 71279527 LZEJMOMYZAIXQP-ZDUSSCGKSA-N 357.410 3.519 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)NCc1nc(-c2cccc(C)c2)no1 219583597 QAMFRKNPIDDZGH-INIZCTEOSA-N 369.396 3.658 0 40 FHAB COc1cc(/C=C/C(=O)NCC2(c3cccs3)CC2)cc(OC)c1OC 38593055 DXPPCRWCTSZEQK-VOTSOKGWSA-N 373.474 3.635 0 40 FHAB CCC[C@@H](C)NC(=O)c1cc(Cl)ccc1I 31676961 ZGFPSSUISGTZKQ-MRVPVSSYSA-N 351.615 3.863 0 40 FHAB CNC(=O)CSc1ncc(-c2ccc(OC)cc2)n1-c1ccccc1C 44086755 SFPWENXFAHWDPI-UHFFFAOYSA-N 367.474 3.694 0 40 FHAB CCOc1ccc(-c2nc(N)cc(Nc3ccc(C(=O)O)cc3)n2)cc1 49468129 OJTOJRHBVFIWBL-UHFFFAOYSA-N 350.378 3.566 0 40 FHAB Cc1ccc(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1 225695658 ANRGHAXPQYYZCK-IBGZPJMESA-N 366.505 3.522 0 40 FHAB CCN(CC)C(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(C)cc2)c1 224303532 RKEZGNFXMXJUAA-UHFFFAOYSA-N 374.506 3.611 0 40 FHAB CC(C)c1ccccc1OCC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222734180 OXASYVNUFIOZCJ-HNNXBMFYSA-N 355.434 3.837 0 40 FHAB COC(=O)c1cc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)ccc1OC(C)C 225807455 PYIHUXVPIXCAJZ-JLTOFOAXSA-N 363.454 3.794 0 40 FHAB O=C(c1ccc(-n2cccc2)cc1)N1CC[C@@H](Oc2nc3ccccc3o2)C1 225680113 KZTPRSOFZGUPNX-GOSISDBHSA-N 373.412 3.912 0 40 FHAB COc1cccc([C@@H](C)NC(=O)c2ccc(-n3nc(C)c(C)c3C)nc2)c1 49407446 PTHSRMZUSMGVSU-OAHLLOKOSA-N 364.449 3.692 0 40 FHAB CSc1ccccc1C(=O)NCC1=NCc2ccccc2-n2cccc21 225373276 DPAPFZSPDLRBIS-UHFFFAOYSA-N 361.470 3.932 0 40 FHAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1ccncc1 222831534 ZKNFDICEGBGXHB-HNNXBMFYSA-N 373.884 3.569 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cccc(Br)n2)C1 40434952 JAZFYXREPICDBL-LLVKDONJSA-N 357.248 3.622 0 40 FHAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCCN1CCCCCC1 44843903 LUZAKEMNPZUGAP-KRWDZBQOSA-N 352.906 3.880 0 40 FHAB COc1ccc([C@H](C)NC(=O)CCc2nc(-c3cccs3)no2)cc1 225841894 RHBKEQXOEKLOBZ-LBPRGKRZSA-N 357.435 3.617 0 40 FHAB CCCc1ccc(OCCNC(=O)[C@H](C)Oc2cccc(OC)c2)cc1 224429469 LYVCUMCBMLPMOX-INIZCTEOSA-N 357.450 3.610 0 40 FHAB Cc1cccnc1NC(=S)NCc1nc(-c2cccc(Cl)c2)no1 225833921 UHVYPPRNDMMDAH-UHFFFAOYSA-N 359.842 3.580 0 40 FHAB CC(C)C(=O)N1CCC2(CC1)C[C@@H](CC(=O)NCC1CC1)c1ccccc12 96079458 KKLZGYOEEQDYKB-GOSISDBHSA-N 368.521 3.606 0 40 FHAB CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NC(=O)OCc1ccccc1 98213816 XQOGZNOEXSAKIZ-INIZCTEOSA-N 360.454 3.702 0 40 FHAB O=C1CC[C@]2(CCCN(Cc3ccco3)CC2)N1Cc1cccc(F)c1 96047545 WGWQBNVVMOTPSX-NRFANRHFSA-N 356.441 3.966 0 40 FHAB Cc1ncc2ccc(C(=O)N[C@@H]3C[C@H]3c3ccc(OC(F)F)cc3)cn12 585081205 NDYGMMLCPRVCSN-DLBZAZTESA-N 357.360 3.530 0 40 FHAB O=C(Nc1ccc(Cl)cc1F)c1cc2c(=O)n3ccccc3nc2s1 96347280 CEUHYTBNTOLDGO-UHFFFAOYSA-N 373.796 3.954 0 40 FHAB COc1ncccc1C(=O)N1CCC[C@@H](Cc2cccc3cccnc23)C1 257300847 RVXJQHRXAWEMPY-INIZCTEOSA-N 361.445 3.733 0 40 FHAB C[C@@H]1Oc2ccc(C(=O)Nc3ccc(C4(C(=O)O)CC4)cc3)cc2[C@H]1C 1776669580 MLGWLNBKPJYWRM-STQMWFEESA-N 351.402 3.940 0 40 FHAB Cc1cc(Cl)c2ccccc2c1NC(=O)NCc1nnn(C(C)(C)C)n1 654039772 LFFHEPDKMBPPJX-UHFFFAOYSA-N 372.860 3.865 0 40 FHAB Cc1ccc(N[C@@H]2COC3(CCC3)C2)cc1NC(=O)CN1CCCCC1 657959085 FBDMWDLHAHHLQM-SFHVURJKSA-N 357.498 3.543 0 40 FHAB C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Cc3nc(C)cs3)C2)cc1 1178074120 HTDAOKCMPKKCPR-HNNXBMFYSA-N 369.490 3.671 0 40 FHAB COCC[C@H]1CN(C(=O)CCc2ccccc2Cl)Cc2cccn2C1 585095590 ZJQZUWRLAIINGG-MRXNPFEDSA-N 360.885 3.769 0 40 FHAB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1ccccc1 33786853 KMOXTERCIRLLEF-SFHVURJKSA-N 370.449 3.735 0 40 FHAB FC(F)Oc1ccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCO3)cc1 48682993 OSFFTPOSGUJPIJ-UHFFFAOYSA-N 373.359 3.697 0 40 FHAB Cc1cc(C(=O)OCC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)[nH]n1 62471221 AZRUODSWDPAYQL-GOSISDBHSA-N 369.465 3.536 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2csc(N3CCCCC3)n2)c(OC)c1 78976457 DQKATMKBGJVGDC-VQHVLOKHSA-N 373.478 3.803 0 40 FHAB Cc1noc(C)c1CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1 61799312 KDEGOTZFGZUENR-UHFFFAOYSA-N 353.388 3.628 0 40 FHAB CCSc1nnc(SCC(=O)c2ccc(OC)c(OC)c2)s1 5450298 ILRIEJWWGXPLRH-UHFFFAOYSA-N 356.494 3.642 0 40 FHAB CCCCCOc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1 5940302 HVTSBLGJSFOLEB-UHFFFAOYSA-N 363.435 3.755 0 40 FHAB COc1cc(C(=O)NCc2noc(-c3ccc(C)cc3)n2)c2ccccc2n1 12195222 JYOJAXKXHXLFST-UHFFFAOYSA-N 374.400 3.532 0 40 FHAB Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)NCc3ccccc3)C2)c1C 12471761 BTJCUDWDHHMOLZ-IBGZPJMESA-N 365.477 3.864 0 40 FHAB O=c1cc(COc2ccc(Cl)cc2)nc2sc(-c3ccco3)nn12 13367600 LDRCMAWGEJIGFI-UHFFFAOYSA-N 359.794 3.643 0 40 FHAB COc1ccc(Cl)c2c1[nH]c1nc(SCc3ccccn3)nnc12 13555729 LZMWMIABIFUNNA-UHFFFAOYSA-N 357.826 3.855 0 40 FHAB Cc1nnc(S[C@H](C(=O)N(C)C)c2ccccc2)n1Cc1ccccc1 17664673 RDOYIXJCICBJPJ-SFHVURJKSA-N 366.490 3.556 0 40 FHAB Cc1cccc(C)c1Nc1noc2c1CN(C(=O)CC[C@H]1CCCO1)CC2 19235765 OGKQNZQLKQEKOE-MRXNPFEDSA-N 369.465 3.879 0 40 FHAB Brc1ccc(CN2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 19361748 RYOUYIJYULFNQK-SQNIBIBYSA-N 361.327 3.779 0 40 FHAB COc1cccc(OCc2nnc(SCc3ccc(C(=O)O)cc3)o2)c1 19928568 VLTQTAACXRSHAK-UHFFFAOYSA-N 372.402 3.648 0 40 FHAB CCSc1nnc(NC(=O)COc2ccc(C(C)(C)C)cc2)s1 7264394 TWGQJARBVXFBML-UHFFFAOYSA-N 351.497 3.965 0 40 FHAB COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1OC(C)=O 973721 XNIVRITYHWFQQR-OQLLNIDSSA-N 371.776 3.618 0 40 FHAB COc1cc(NC(=O)COc2cc(C)ccc2C)cc2sc(N)nc12 226312418 DEKVQNSGELGWNB-UHFFFAOYSA-N 357.435 3.521 0 40 FHAB COc1ccc(C(=O)COC(=O)c2ccc(-n3cccc3)cc2)cc1F 5703084 SAMSPXHAGGSNAD-UHFFFAOYSA-N 353.349 3.665 0 40 FHAB CN(C)c1cccc(C(=O)NC[C@](O)(c2ccsc2)c2cccs2)c1 240002207 POVWNQWEWYCJDT-IBGZPJMESA-N 372.515 3.542 0 40 FHAB Cc1cccc(-c2nc3scc(CCNC(=O)c4cccs4)n3n2)c1 4374713 ZAGMQOVPAFFAIK-UHFFFAOYSA-N 368.487 3.800 0 40 FHAB COc1cccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)c1OC 4479333 ASNXIWNQQDSJTK-UHFFFAOYSA-N 371.418 3.524 0 40 FHAB Cc1ccc(N2C[C@@H](CNC(=O)Nc3cccc(Cl)c3)CC2=O)cc1 9040398 MKBMSCQKSLXICA-CQSZACIVSA-N 357.841 3.823 0 40 FHAB COc1cccc2cc(-c3nnc(NC(=O)Cc4cccs4)o3)oc12 9167867 DHCRARSBIADTTL-UHFFFAOYSA-N 355.375 3.734 0 40 FHAB Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)NCC(C)C)C3)nn2)cc1C 48990642 XJUFNRKOAYJYIW-IBGZPJMESA-N 366.509 3.749 0 40 FHAB O=C(CSCc1ccccc1)NC[C@H](O)c1csc2ccccc12 585371934 GAZJGGPWPATUKM-KRWDZBQOSA-N 357.500 3.984 0 40 FHAB CC(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)C=C(c1ccc(Cl)cc1)N2 100879282 USEWBMOGFZWRCO-QGZVFWFLSA-N 365.824 3.946 0 40 FHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2cccc(SC)c2)c1 51355998 XIZWMHXWQCVCMI-UHFFFAOYSA-N 374.418 3.626 0 40 FHAB COC(=O)[C@@H](C)Sc1nnc(-c2ccoc2C)n1Cc1ccccc1 21119466 XTFFFLBGWOCLRM-CYBMUJFWSA-N 357.435 3.548 0 40 FHAB CCCCCn1c(CNS(=O)(=O)c2ccccc2)nc2ccccc21 41146093 JRQNUAMQQKZHPT-UHFFFAOYSA-N 357.479 3.705 0 40 FHAB COc1ccc(-n2ncc3c(Nc4ccc(F)cc4F)ncnc32)cc1 756738 AFLDPJZTXSWALS-UHFFFAOYSA-N 353.332 3.846 0 40 FHAB O=C(Cn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O)Nc1ccccc1 23383111 SKSWKQMJCQDNPC-UHFFFAOYSA-N 373.334 3.568 0 40 FHAB O=c1c2ccccc2nc(S)n1Cc1ccc(CN2CCCCC2)cc1 36391041 FVEAWXWSWSSSNR-UHFFFAOYSA-N 365.502 3.719 0 40 FHAB O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN1C(=O)Nc1ccccc1 1329964 ODCJAZRVQXWGBM-QGZVFWFLSA-N 357.841 3.653 0 40 FHAB CCOC(=O)C(C(=O)OCC)[C@@H](c1ccccc1)c1ccccc1OC 1632932 TYAMSNNHAVTTSR-SFHVURJKSA-N 356.418 3.570 0 40 FHAB CCN1C(=O)[C@H](C(=O)Nc2cccc(C)c2)[C@H]2C[C@]1(C)Oc1ccccc12 3905190 ONJDWDQDFWVAMC-JLMWRMLUSA-N 364.445 3.694 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1ccc(F)c(Cl)c1 51354049 WFFILLOHPFYZSG-CYBMUJFWSA-N 363.816 3.773 0 40 FHAB CN(Cc1ccc2c(c1)OCO2)C(=O)Cc1c(Cl)cccc1Cl 7272978 RLIICRUHEHGESK-UHFFFAOYSA-N 352.217 3.923 0 40 FHAB CCCCC(=O)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 7388365 JQTVPEQYBSIMGC-UHFFFAOYSA-N 352.759 3.735 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)N2CCN(c3ccccc3F)CC2)cc1C 7495717 UQYPCNMJSWOCEZ-QGZVFWFLSA-N 356.441 3.559 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cc(Cl)c3oc(=O)sc3c2)c(C)c1 2493417 IZJFDASNGPRGFI-UHFFFAOYSA-N 369.851 3.926 0 40 FHAB COc1ccc(CCNc2ncnc3c2[nH]c2ccc(F)cc23)cc1OC 2412303 MGCVHURXTZRGKB-UHFFFAOYSA-N 366.396 3.922 0 40 FHAB CCOc1ccccc1CCCNS(=O)(=O)c1c(C)cc(C)cc1C 10110977 MGLZYNSADLGOEH-UHFFFAOYSA-N 361.507 3.922 0 40 FHAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)o1 8571319 NGVUIHSRWYYVAG-OQLLNIDSSA-N 356.403 3.571 0 40 FHAB O=C(/C=C/c1ccccc1OC(F)F)Nc1cccc(C(=O)NC2CC2)c1 10671315 CFMBPOHVKOHLEP-DHZHZOJOSA-N 372.371 3.832 0 40 FHAB O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)/C=C/c1ccc2ccccc2n1 32796955 OTAHTXAQHNXAJN-IBUXMESJSA-N 371.440 3.878 0 40 FHAB CC[C@H](CNC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1ccccc1 32845070 LSWQGGJOWSXQCI-VFNWGFHPSA-N 366.486 3.925 0 40 FHAB Cc1nc(COc2cccc(/C=C/C(=O)N3C[C@H](C)O[C@H](C)C3)c2)cs1 32876645 GQTGKOLOMQNZOS-LAELXIFRSA-N 372.490 3.680 0 40 FHAB O=C(NCc1ccccn1)c1cc(-c2ccc(O)cc2)nc2ccccc12 9747388 PCMFZHHFNWUUDB-UHFFFAOYSA-N 355.397 3.932 0 40 FHAB Cc1c(C(=O)N2CCC[C@H]2c2ccccc2)nnn1-c1ccc(F)cc1 45890676 MQMNCQNMQFCBCO-SFHVURJKSA-N 350.397 3.692 0 40 FHAB NC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CCCCCC2 671494 YBIKTNMAVWIFFF-UHFFFAOYSA-N 358.463 3.524 0 40 FHAB Cc1ccccc1-n1c(=O)c2sccc2n(Cc2ccccc2F)c1=O 67258059 CTKRJRUMNVXZSR-UHFFFAOYSA-N 366.417 3.710 0 40 FHAB O=C(O)c1cc(Br)cc(Br)c1Br 20134641 VXRZWSOTDBLHDQ-UHFFFAOYSA-N 358.811 3.672 0 40 FHAB C[C@@]1(c2cccs2)NC(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O 53863475 ODUBXMCTZCKUEL-HNNXBMFYSA-N 354.353 3.734 0 40 FHAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccccc1-c1ccccc1 23152756 LDQOXYBGXFNEMO-UHFFFAOYSA-N 355.401 3.511 0 40 FHAB CCc1c(C)c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2oc1=O 917764 FMLUQQFDFAALIN-UHFFFAOYSA-N 367.401 3.690 0 40 FHAB C[C@H](NCC(=O)NCc1ccc2c(c1)OCO2)c1cccc2ccccc12 57856189 RFBOPACGGOMXKN-HNNXBMFYSA-N 362.429 3.536 0 40 FHAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)C1 104714707 QHIWXOMSBLSURV-OPYAIIAOSA-N 364.489 3.532 0 40 FHAB Cc1ccc(N2C(=O)N(CN(C)Cc3ccc(Cl)cc3)C(=O)[C@@H]2C)cc1 23731046 VASVRBWNVPUSSE-HNNXBMFYSA-N 371.868 3.895 0 40 FHAB Cc1ccccc1SCC(=O)OCC(=O)N[C@@H](C)CCc1ccccc1 2726094 SCKZRDOPBKQZOO-KRWDZBQOSA-N 371.502 3.768 0 40 FHAB O=C(CSCc1ccc(F)cc1)NCCCN1CCc2ccccc21 20489326 XIUHAVVOODICTJ-UHFFFAOYSA-N 358.482 3.628 0 40 FHAB Cc1ccc(NC(=O)c2ccn(COc3ccc(Cl)c(C)c3)n2)nc1 2796016 WIOUJSDZMZFQRV-UHFFFAOYSA-N 356.813 3.837 0 40 FHAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc2c(c1)OCO2 25055773 GCNXUBIKBKROFL-UHFFFAOYSA-N 370.386 3.883 0 40 FHAB Cc1cnc(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cn1 25409066 ZXRQIRTZVBNTJA-GOSISDBHSA-N 356.429 3.828 0 40 FHAB Cc1ccc(SCCC(=O)NCc2ccc(-n3ccnc3)cc2)cc1 20494559 ANANMAMWABLHRC-UHFFFAOYSA-N 351.475 3.979 0 40 FHAB CCc1noc([C@H](C)N2CC=C(c3c(OC)cc(OC)cc3OC)CC2)n1 44368196 GBBPDIOJEJLULJ-ZDUSSCGKSA-N 373.453 3.508 0 40 FHAB COc1cc(-c2nc3cnccn3c2Nc2ccccc2)cc(OC)c1O 35615761 UVOUZCDEVUPCRH-UHFFFAOYSA-N 362.389 3.863 0 40 FHAB O=C(CC1CCCC1)NC1CCN(C(=O)c2cc3ccccc3o2)CC1 108977622 ZWLMZAXCBZTJQS-UHFFFAOYSA-N 354.450 3.734 0 40 FHAB CCCCOC(=O)c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 2093356 KBKCWAPEFHSRGC-UHFFFAOYSA-N 352.383 3.550 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)N[C@@H]3CCCC[C@H]3C)n2C)cc1 10264015 IUSNEYYXCZOYEB-GDBMZVCRSA-N 358.511 3.578 0 40 FHAB Cc1c([C@H](C)NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)oc2ccccc12 58250711 YFTZABRDQGXHEZ-HOCLYGCPSA-N 354.450 3.567 0 40 FHAB Cc1ccc(C(=O)N[C@H](NC(=N)C(C)C)C(Cl)(Cl)Cl)cc1 3109678 GLQNVUTUMDVGCV-ZDUSSCGKSA-N 350.677 3.644 0 40 FHAB Cc1ccc([C@]2(C)NC(=O)N([C@@H](C)C(=O)c3cccc(Cl)c3)C2=O)cc1 3363440 FYEYOOFUSRPJTI-RBZFPXEDSA-N 370.836 3.687 0 40 FHAB COc1cccc(OC)c1C(=O)OCC(=O)Nc1ccc2ccccc2c1 3397568 HBMCRLNPPUDDPS-UHFFFAOYSA-N 365.385 3.653 0 40 FHAB O=c1c2ccccc2c(-c2ccccc2)nn1C[C@H](O)c1ccc(F)cc1 12768578 LAOVKHFPTRTQRD-FQEVSTJZSA-N 360.388 3.936 0 40 FHAB Cc1ccc(C)c(OCC(=O)Nc2ccc(N3CCCC3=O)cc2)c1C 12788769 OJTAWPNLZISPBW-UHFFFAOYSA-N 352.434 3.756 0 40 FHAB C[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1 12763329 QWXWNVQFJPYTKK-AWEZNQCLSA-N 356.853 3.887 0 40 FHAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(C4CC4)C3)cc2)c1 12888915 NRBITSTVRRDKIT-HNNXBMFYSA-N 350.418 3.737 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OC/C=C/c2ccccc2)cc1 7602749 ROCYPHIFLBYHRS-DHZHZOJOSA-N 373.474 3.587 0 40 FHAB COC(=O)[C@H](C)NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1 4090856 QESKDYLWFPTWRI-ZDUSSCGKSA-N 373.412 3.674 0 40 FHAB biogenic CN(C)C(=O)c1cccc(NC(=O)CSc2ccnc3ccccc23)c1 68274859 ZUKVGNNCSWAAJS-UHFFFAOYSA-N 365.458 3.667 0 40 FHAB C[C@@H](NC(=O)c1cccc(Br)c1)c1ccc(-n2cncn2)cc1 5245814 QXLJJAOBJDGVLS-GFCCVEGCSA-N 371.238 3.521 0 40 FHAB CC(C)c1n[nH]c(SCC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)n1 14093381 LGNIYOWUXRPBSX-AWEZNQCLSA-N 358.511 3.848 0 40 FHAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)o1 65553883 QBHLZNGYDNHCNO-GFJSAUFNSA-N 356.397 3.694 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3cccnc3)o2)c1C 14123738 DFEBGQDLGVERRK-GFCCVEGCSA-N 370.434 3.643 0 40 FHAB COc1ccccc1C(=O)Nc1ccc(OC)c(-c2ccc(CO)o2)c1 20141185 YYWCXJZPKHXQDJ-UHFFFAOYSA-N 353.374 3.708 0 40 FHAB Cc1ccc(O)c(NC(=O)c2ccccc2I)c1 4666657 GOJHWBUCPHHQGY-UHFFFAOYSA-N 353.159 3.558 0 40 FHAB Cc1ccc(NC(=O)c2ccccc2I)c(O)c1 4666656 SCWMOKJNWQNLPQ-UHFFFAOYSA-N 353.159 3.558 0 40 FHAB Cc1nc(-c2ccccc2C)n(CN(C)C[C@H]2OCCc3ccccc32)n1 66079165 WTEHUZGGYKVSDO-OAQYLSRUSA-N 362.477 3.765 0 40 FHAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N2CCCCC2)cc1 5555361 ALNNKTADVTYQDP-JXAWBTAJSA-N 354.475 3.840 0 40 FHAB O=C(OCCCn1c(=O)[nH]c2ccccc21)c1cc2ccccc2s1 6607547 DBHCHTPXZVJJFT-UHFFFAOYSA-N 352.415 3.791 0 40 FHAB O=C(CCc1cccnc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 8138319 YSXIATOMAQTQGU-UHFFFAOYSA-N 361.449 3.638 0 40 FHAB Cn1ncc2c1CCC[C@H]2NC(=O)N(Cc1ccccc1)CC1CCC1 66334852 GBSKNCYQCHXQBT-LJQANCHMSA-N 352.482 3.809 0 40 FHAB O=C1CCCC(=O)C12Cc1cc(C(F)(F)F)ccc1N1CCCC[C@@H]12 4914234 XWDYJLPFKBRFFF-OAHLLOKOSA-N 351.368 3.929 0 40 FHAB Cc1noc(C)c1CC(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 69961721 BSICNJNOWWUTHX-MRXNPFEDSA-N 350.365 3.629 0 40 FHAB COc1cc(/C=C2\S[C@@H]3Nc4ccccc4N3C2=O)cc(OC)c1OC 19074895 IOYACGCXSYDNII-NXIIHZOPSA-N 370.430 3.542 0 40 FHAB CCOc1cc2c(cc1CNC(=O)c1ccccc1OCC)O[C@@H](C)C2 19295944 WSAOJJXOSCRQOQ-AWEZNQCLSA-N 355.434 3.737 0 40 FHAB COc1ccccc1-c1nnc(SCc2nc(N)c3ccccc3n2)o1 9117518 CHDDONWIYYOZBA-UHFFFAOYSA-N 365.418 3.563 0 40 FHAB C[C@H]1[C@@H](C)SCCN1C(=O)Nc1cccc(Cl)c1N1CCOCC1 89920029 BOLGHZIGRQHELJ-QWHCGFSZSA-N 369.918 3.534 0 40 FHAB Cc1nc(CNC(=O)/C=C/c2cccc3cccnc23)nc2ccccc12 84068117 HLOUFTDGESFEHQ-VAWYXSNFSA-N 354.413 3.816 0 40 FHAB CCOc1ccccc1N1CCN(C(=O)c2cc(F)ccc2Cl)CC1 72331378 SHJWHNNGQYSSKE-UHFFFAOYSA-N 362.832 3.840 0 40 FHAB CCN(CCN(C)CC(F)(F)F)Cc1ncc(-c2ccc(F)cc2)o1 84774747 VMBXFNQLZPJGIL-UHFFFAOYSA-N 359.367 3.797 0 40 FHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccccc1C 28189175 RCSLEIWMJXEWMM-UHFFFAOYSA-N 357.435 3.534 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)NC[C@H](C)c3ccccc3)CC2=O)cc1C 408706568 BOCNXIQGOAMHMQ-PKOBYXMFSA-N 350.462 3.576 0 40 FHAB COc1cccc(O[C@H](C)C(=O)NCCSCc2ccccc2C)c1 30753126 LKYHSQLBPBWJMY-MRXNPFEDSA-N 359.491 3.821 0 40 FHAB Cc1ccc(-c2noc(CSCC(=O)N[C@H]3CCCC[C@@H]3C)n2)cc1 36395280 SCISGHFYQVASII-HOCLYGCPSA-N 359.495 3.973 0 40 FHAB O=C(COc1ccccc1)Nc1cnn(Cc2ccc(F)cc2Cl)c1 32609683 BOZQVLILKFIYAG-UHFFFAOYSA-N 359.788 3.741 0 40 FHAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(N2CCCCC2)nn1 75172650 DHQNHHJZFUMTIQ-UHFFFAOYSA-N 350.344 3.738 0 40 FHAB CSc1ccc(CNC(=O)Cc2nnc(-c3sccc3C)o2)cc1 62007295 CFPWLESTKFWHJV-UHFFFAOYSA-N 359.476 3.687 0 40 FHAB COc1ccc2c(c1)CCCN2C(=O)/C=C/c1cccc(OC)c1OC 40017439 RTHANEPITWQGCO-FMIVXFBMSA-N 353.418 3.705 0 40 FHAB CCOc1ccc([C@@H](NC(=O)c2cccc(C(N)=O)c2)c2ccccc2)cc1 40089213 MVSLYJGXEAPQDE-NRFANRHFSA-N 374.440 3.704 0 40 FHAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C)c1 224585463 GRLNQMAUXKODRD-OALUTQOASA-N 364.474 3.606 0 40 FHAB CCn1c(=O)sc2cc(NC(=O)CCc3ccc(OC)c(C)c3)ccc21 225123738 BWJUWQXGDDYOIX-UHFFFAOYSA-N 370.474 3.971 0 40 FHAB O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(CN2CCCCC2)cc1 44932685 ZGDIOQABFYRBIE-UHFFFAOYSA-N 374.488 3.788 0 40 FHAB O=C([C@@H]1COc2ccccc2O1)N(Cc1ccsc1)Cc1ccccn1 44445996 LZKMVGTXFNOVBH-IBGZPJMESA-N 366.442 3.512 0 40 FHAB COCc1cccc(NS(=O)(=O)c2ccc(Br)cc2C)c1 227116468 YWQNNXSGIGORPP-UHFFFAOYSA-N 370.268 3.705 0 40 FHAB COCCCNC(=O)c1ccccc1NC(=O)c1cc(C)c(C)cc1C 225647676 PNQSARLZXBOXCE-UHFFFAOYSA-N 354.450 3.630 0 40 FHAB Cc1ccc(CN(C(=O)Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)cc1 225534752 YWSSRQOOWRBSJG-LJQANCHMSA-N 366.505 3.788 0 40 FHAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCOc1ccccc1OC 224441241 XNWYTWJNXQLROM-HNNXBMFYSA-N 363.841 3.701 0 40 FHAB CCN(CC(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1cc(C)ccc1C 225933180 HUFAEEYCAPMDLW-UHFFFAOYSA-N 374.506 3.570 0 40 FHAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC)c(C(=O)OC)c1 225840257 LYWPBRAUXNWLCW-IBGZPJMESA-N 351.443 3.652 0 40 FHAB COC(=O)c1cccc(NC(=S)NCCCc2cccc(OC)c2)c1C 225553697 UQCLLWBOZNNRSU-UHFFFAOYSA-N 372.490 3.709 0 40 FHAB O=C(N[C@H]1CCCc2c1[nH]c1ccccc21)[C@@H]1CC(=O)N(c2ccccc2)C1 575443185 NMAJHAUVBWLYGM-QRWLVFNGSA-N 373.456 3.715 0 40 FHAB CCC(=O)N1CCC2(CC1)C[C@@H](CC(=O)N(CC)CC)c1ccccc12 96242350 DOCWQUCUOXMFGX-QGZVFWFLSA-N 356.510 3.703 0 40 FHAB COc1ccc(CN2CCC3(CC2)[C@@H](c2ccccc2)CC(=O)N3C)cc1 96061440 SRDFQXOZNDLEPY-OAQYLSRUSA-N 364.489 3.676 0 40 FHAB COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc3c(c1)CCC(=O)N3)[C@H]2C 679830365 IITGMGJNALXPEV-KBPBESRZSA-N 364.445 3.728 0 40 FHAB Cc1cccc(C(=O)N2CC3(C[C@@H](OCc4csc(C)n4)CS3)C2)c1 575402677 DWCPARRLVYJBKU-QGZVFWFLSA-N 374.531 3.677 0 40 FHAB CCc1nccn1[C@H](C)CC(=O)N[C@@H]1COc2ccc3ccccc3c2C1 952994705 GYVFCZULLGESSZ-WBVHZDCISA-N 363.461 3.670 0 40 FHAB COc1ccc([C@@H]2C3=C(Nc4ncnn42)c2ccccc2CC3)cc1OC 13123939 XSLPWONOXQYFGE-HXUWFJFHSA-N 360.417 3.668 0 40 FHAB CSc1cccc(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)c1 16598426 LQZFYBXWOQQZAM-UHFFFAOYSA-N 373.459 3.892 0 40 FHAB CC(=O)Nc1ccc(CC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 17355807 TXPRIXZPSPMNHM-ZNJMGRMESA-N 354.494 3.909 0 40 FHAB Cc1cccc2c3c([nH]c12)CCN(C(=O)c1ccc(C(C)(C)C)[nH]c1=O)C3 19236578 GNIYOGWHVLJPMV-UHFFFAOYSA-N 363.461 3.661 0 40 FHAB O=C(CCc1ccccc1F)N1CCC[C@@H]1c1nnc(-c2ccccn2)o1 19348634 MSAYKOWRMOYECE-QGZVFWFLSA-N 366.396 3.567 0 40 FHAB COc1ccccc1C1(NCc2ccnc(N3CCCC3)n2)CCCC1 19569189 SEJOZPMYYRPJQA-UHFFFAOYSA-N 352.482 3.645 0 40 FHAB CCc1c(C(=O)Nc2ccc(C)cc2)nnn1-c1ccc(OC(F)F)cc1 19911192 AFKKTWNUZGCEGL-UHFFFAOYSA-N 372.375 3.992 0 40 FHAB Cc1ccc2c(c1)[C@H](CCO)O[C@H]([C@H](C)c1cc(O)c(C)c(=O)o1)[C@@H]2C 514288048 KYRDITCXPNFIBT-MPBPYYHOSA-N 358.434 3.692 0 40 FHAB biogenic,in-vitro Cc1nc(C)c2c(C)c(C(=O)NC[C@@H](c3ccsc3)N(C)C)sc2n1 25332079 UHIJYTSGNOOYRA-AWEZNQCLSA-N 374.535 3.711 0 40 FHAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(Cn2cncn2)cc1 29330991 NEUQXAILTRYZII-UHFFFAOYSA-N 359.389 3.542 0 40 FHAB Cc1ccc2[nH]c(C)c(CC(=O)OCC(=O)N3CCCCCCC3)c2c1 31352169 ZZTGLSALCWBHEA-UHFFFAOYSA-N 356.466 3.663 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H]1CCS(=O)(=O)CCCC(F)(F)F 953091189 YDDJEXSYLDKLAH-GFCCVEGCSA-N 373.437 3.533 0 40 FHAB COC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2c1CCCC2 1438003 PPQAWZIAPPZVGX-UHFFFAOYSA-N 374.487 3.540 0 40 FHAB CCCc1cc(=O)[nH]c2nnc(SCc3ccc(Cl)cc3Cl)n12 4250352 GAEHTECSUHDZRO-UHFFFAOYSA-N 369.277 3.969 0 40 FHAB CC(=O)c1cccc(NC(=O)CSc2ccc(-c3ccco3)nn2)c1 4357909 CCHZHRZEBFKLOE-UHFFFAOYSA-N 353.403 3.670 0 40 FHAB COc1cccc(C(=O)NCc2cc(-c3ccc(C)cc3)on2)c1OC 12235531 HZMITMUMKQNKPB-UHFFFAOYSA-N 352.390 3.597 0 40 FHAB Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3F)c2)c(C)c1 15883182 OEEZUYLETPOJCJ-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB O=C(NC[C@H]1CCCN1c1ccccc1)NC12CC3CC(CC(C3)C1)C2 211120362 SZAFGVVMKPZLKT-MYZSEDEFSA-N 353.510 3.923 0 40 FHAB CCN(c1ccccc1)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 1926191 DPFJUYSBKIRAFC-UHFFFAOYSA-N 352.415 3.621 0 40 FHAB Cc1cccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)c1C 8715854 OOUJDYVTLSQNGG-UHFFFAOYSA-N 366.442 3.847 0 40 FHAB CCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OC)cc2O)cc1 8914290 RYZVRQCBYSWNKZ-UHFFFAOYSA-N 354.362 3.760 0 40 FHAB O=C(CCSCc1nc(-c2ccccc2)no1)N1CCc2ccccc21 40067245 MBHYGPMPYPLGJH-UHFFFAOYSA-N 365.458 3.949 0 40 FHAB CC(C)c1c(C(=O)N2CCc3sccc3C2)cnn1-c1ccccn1 40088304 FDHOQCHSDQMWFE-UHFFFAOYSA-N 352.463 3.651 0 40 FHAB C[C@H](Sc1nncs1)C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 40138892 BPGQVVGNJBOTLX-RYUDHWBXSA-N 374.491 3.566 0 40 FHAB COc1ccccc1CC(=O)NCc1cccc(C(=O)Nc2ccccc2)c1 40106737 ZCAATMINQMZOAC-UHFFFAOYSA-N 374.440 3.806 0 40 FHAB O=C(CSc1nncs1)Nc1cccc(CSc2ccccn2)c1 50246939 QCFAPVIBTQTGPM-UHFFFAOYSA-N 374.516 3.956 0 40 FHAB CCOCCn1c([C@@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 40251564 WVTZHWSIAUIUHU-QGZVFWFLSA-N 363.461 3.902 0 40 FHAB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1cccs1 1115603 JWYWUCSYRMAWEI-UHFFFAOYSA-N 358.444 3.627 0 40 FHAB COc1ccc([C@H](CCc2cc(OC)c(OC)c(OC)c2)NC(C)=O)cc1 2048215 UDTCAMSUOGHNLR-SFHVURJKSA-N 373.449 3.531 0 40 FHAB O=C(COc1ccc(F)cc1Br)N1CCc2ccccc21 3510477 UGXQECQFBIEIGN-UHFFFAOYSA-N 350.187 3.556 0 40 FHAB Cc1cccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)c1C 3532819 IDLNCMLEUSGXOO-UHFFFAOYSA-N 361.445 3.992 0 40 FHAB CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)N[C@@H](C)c1ccccc1 6649738 ZNQROTHUPNXRPE-LPHOPBHVSA-N 370.518 3.724 0 40 FHAB CCCC[C@@H](c1nnnn1C(C)(C)C)N1CCN(c2ccc(F)cc2)CC1 57669750 RSHLXLHMWJTULD-SFHVURJKSA-N 374.508 3.621 0 40 FHAB C[C@@H](Sc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NC[C@@H]1CCCO1 32883820 WMRBAGOPEOLYCR-RISCZKNCSA-N 366.870 3.771 0 40 FHAB Cc1ccc(CNC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)cc1 32841467 BYNUILMPSIVAKW-UHFFFAOYSA-N 351.446 3.894 0 40 FHAB Cc1cccc(CC(=O)N[C@H](c2ccccn2)[C@H]2CC[C@H](CN)CC2)c1 100749991 IAVMHKVDDWJUKA-KPLVRAHFSA-N 351.494 3.555 0 40 FHAB Cc1occc1-c1nnc(S[C@H](C)C(=O)N(C)C2CCCCC2)n1C 36802266 PRRAUIVJYMQQSO-CYBMUJFWSA-N 362.499 3.655 0 40 FHAB Cc1ccccc1OCCCN1C(=O)C(=O)c2cc(Br)ccc21 11612345 YAASQMCOLDFGQD-UHFFFAOYSA-N 374.234 3.756 0 40 FHAB Cc1nn(-c2ccc(C(=O)NCCc3ccccn3)cc2)c(C)c1Cl 21773709 MTNUUVSNIFVRKO-UHFFFAOYSA-N 354.841 3.510 0 40 FHAB COc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H]2c2ccsc2)cc1OC 52803665 AHSKNZHDLYMBCP-CZUORRHYSA-N 360.479 3.929 0 40 FHAB O[C@H](COc1ccccc1)CSc1nnc2c(Cl)cc(Cl)cn12 24100356 AOSCTBRXPKFHKC-LLVKDONJSA-N 370.261 3.568 0 40 FHAB CNC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1cc(C)n(C2CCCCC2)c1C 33212207 QFIKXVBCHCAUEE-SJFMBGHLSA-N 371.525 3.750 0 40 FHAB CCn1nc(C)c2c(C(=O)N[C@H](C)c3ccc(OC)cc3)cc(C)nc21 28242451 LESYHQWQQNAKGM-CYBMUJFWSA-N 352.438 3.568 0 40 FHAB O=C(c1cc2c(F)cccc2s1)N1CCC(C(=O)N2CCCC2)CC1 22991618 SZNLTVHNDAAAOV-UHFFFAOYSA-N 360.454 3.515 0 40 FHAB CCNc1nnc(SC[C@@H](O)CO[C@H]2CCCc3ccccc32)s1 54169082 BNXNQBBGROCBEJ-ZFWWWQNUSA-N 365.524 3.517 0 40 FHAB O=C(NCCCn1cnc2ccccc21)c1cc(-c2cccs2)on1 54459712 ZJBFCAPLFAPOMU-UHFFFAOYSA-N 352.419 3.573 0 40 FHAB CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2SC)s1 55577605 OSDWAJYXVZKKNR-UHFFFAOYSA-N 357.478 3.531 0 40 FHAB COCCOc1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)c(C)c1 55608448 JGWTYJUPQJGPCZ-UHFFFAOYSA-N 369.396 3.597 0 40 FHAB CC(C)Cc1noc(CNc2cc(Cl)ccc2C(=O)N2CCCC2)n1 55866512 ZGHDRURADQXNGZ-UHFFFAOYSA-N 362.861 3.770 0 40 FHAB CCc1noc(C)c1C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 55832807 KZUKKXYCLATZDN-UHFFFAOYSA-N 355.438 3.604 0 40 FHAB CCN(c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 57874996 DBJYLDWBFMYWIJ-UHFFFAOYSA-N 364.776 3.969 0 40 FHAB Cc1ccsc1C(=O)OCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 3246757 IATNCEPQPBTXHW-UHFFFAOYSA-N 360.460 3.590 0 40 FHAB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O[C@@H](C)C(=O)OC 2286630 QUTJOQDQOKHANN-NSHDSACASA-N 373.430 3.728 0 40 FHAB CCOc1ccc(N2C[C@@H](C(=O)Nc3cc(F)ccc3C)CC2=O)cc1 3345109 WUAQHXUBVQPZSC-AWEZNQCLSA-N 356.397 3.524 0 40 FHAB O=C(Cc1ccc(Cl)cc1Cl)NCc1ccnc(N2CCCC2)c1 12730568 JRZJZBKRFWAEHP-UHFFFAOYSA-N 364.276 3.848 0 40 FHAB C[C@@H](NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)N1CCCC1 8327459 SSDJHXCDVCEQKR-CRAIPNDOSA-N 367.518 3.962 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)c1cn2c3c(cccc3c1=O)CCC2 22235521 XVIUDLRHSJWSIF-INIZCTEOSA-N 360.457 3.699 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1sc(C)nc1C 6366911 MUYUFASZDRLSCN-VIFPVBQESA-N 368.842 3.606 0 40 FHAB Cc1sc2nc([C@@H](C)OC(=O)Cc3ccc(F)cc3)[nH]c(=O)c2c1C 5357974 GWPIUQWKHGJSCT-SNVBAGLBSA-N 360.410 3.587 0 40 FHAB CCOC(=O)c1oc2ccccc2c1CSc1nnc2ccccn12 6497640 SGOUMSFWACZHQO-UHFFFAOYSA-N 353.403 3.945 0 40 FHAB CN(C)C(=O)[C@@H](Sc1nnc(Cc2ccccc2)o1)c1ccccc1 14254214 OEUARHKIWLGDJJ-KRWDZBQOSA-N 353.447 3.582 0 40 FHAB CCOc1cc(/C=C/C(=O)NCc2ccccn2)ccc1OCC(C)C 6620367 YKCMZYMGFLHNPI-PKNBQFBNSA-N 354.450 3.845 0 40 FHAB Cc1nnc(SCC(=O)Nc2cccc(Cl)c2N2CCCCC2)o1 6614899 CPCLYYBDGSQXKF-UHFFFAOYSA-N 366.874 3.753 0 40 FHAB Cc1nc(S[C@H](C)C(=O)Nc2cc(C)on2)c2c3c(sc2n1)CCC3 7125244 OYMKMDPXHIMZOZ-SECBINFHSA-N 374.491 3.904 0 40 FHAB O=C(CCSc1ccc(F)cc1)NCc1ccc(N2CCCC2=O)cc1 7491409 GVLUSWFXPDZBDR-UHFFFAOYSA-N 372.465 3.751 0 40 FHAB CCCc1cc(=O)[nH]c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)n1 15805400 DRFFUUACRBVZNH-LLVKDONJSA-N 365.886 3.804 0 40 FHAB CC(=O)N[C@@H](C(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1)C(C)C 8778110 HBQJIGSKIBBPFB-QGZVFWFLSA-N 359.495 3.835 0 40 FHAB O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(F)c(F)c1 68140546 OZOCKPMOXMRTQS-UHFFFAOYSA-N 363.751 3.641 0 40 FHAB COCCN(Cc1cccs1)S(=O)(=O)c1ccc2ccccc2c1 9314442 UBOSLTDUXUBZCB-UHFFFAOYSA-N 361.488 3.739 0 40 FHAB COc1ccc(N2C[C@H](c3nc(-c4ccc(Cl)cc4)no3)CC2=O)cc1 9318353 IJKRZTQWUAQLBY-CYBMUJFWSA-N 369.808 3.919 0 40 FHAB C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)N1CCc2ccccc2C1 9313495 YKLHCBCZSROOCP-AWEZNQCLSA-N 364.474 3.537 0 40 FHAB COc1cc(CN(Cc2ccccc2)[C@H](CO)C(C)C)cc(OC)c1OC 93529966 QJFTWBDUANZXQF-LJQANCHMSA-N 373.493 3.732 0 40 FHAB O=C(N1CCO[C@]2(CCc3ccccc32)C1)C1(c2cccc(F)c2)CCC1 89858056 ICWKKRNILHWSBN-HSZRJFAPSA-N 365.448 3.948 0 40 FHAB COc1nc(C)ccc1CNC(=O)c1ccc(-c2nc(C)cs2)cc1 84147874 ZAQLFUQUBKDICA-UHFFFAOYSA-N 353.447 3.761 0 40 FHAB C[C@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1cnn(C)c1 72295364 LPAUYDKWFCPLLB-LBPRGKRZSA-N 358.829 3.539 0 40 FHAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cl)cc2C(N)=O)c1 72273220 HCPVUUGRCSSWCX-UHFFFAOYSA-N 360.841 3.888 0 40 FHAB COc1ccc2[nH]cc(CCNC(=O)Cn3ccc4c(C)cccc43)c2c1 72324969 LSLFYBBENYLXKP-UHFFFAOYSA-N 361.445 3.799 0 40 FHAB biogenic C[C@H](O)[C@@]1(O)C[C@H]2[C@@H]3CC[C@@]4(C)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1 118914896 ZOTNOPONJVMHKM-UEUGOEPLSA-N 350.543 3.892 0 40 FHAB O=c1scc(-c2cccc(F)c2)n1Cc1nnc(-c2ccccc2)o1 95959069 RNDWNCHKGKZWFN-UHFFFAOYSA-N 353.378 3.814 0 40 FHAB CC(C)(C)c1ccc(OCC(=O)NCc2nc(-c3cccs3)no2)cc1 24577139 VLGGJJQETXXJDI-UHFFFAOYSA-N 371.462 3.791 0 40 FHAB C[C@@H](CC(=O)Nc1cccc(-c2nc(O)n[nH]2)c1)c1c[nH]c2ccccc12 552629903 RKNNVOFWBOEJOY-LBPRGKRZSA-N 361.405 3.791 0 40 FHAB Cc1ccc(NCc2ccc(OCC(N)=O)c(Br)c2)cc1C 408554282 CXGXBRJMXLGVLP-UHFFFAOYSA-N 363.255 3.542 0 40 FHAB O=C1c2cccn2[C@@H]2CN(Cc3cccs3)C[C@H]2N1Cc1cccs1 306129278 HZESFJZYERNBNZ-QZTJIDSGSA-N 369.515 3.693 0 40 FHAB O=Cc1cn(C(=O)COc2ccc(Br)cc2)c2ccccc12 218741703 MNACBYYCJTVAHF-UHFFFAOYSA-N 358.191 3.936 0 40 FHAB C[C@@H]1CCCN(C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C(C)(C)C)C1 36741246 ZPEYWJQWUCUFET-UZLBHIALSA-N 358.526 3.777 0 40 FHAB O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1cnccn1 211132212 GBVGZXNHXLXHNH-UHFFFAOYSA-N 374.429 3.991 0 40 FHAB Cn1ccnc1CN1CCC(c2nccnc2Oc2ccccc2F)CC1 72362786 DQRKVFIEAGNECW-UHFFFAOYSA-N 367.428 3.521 0 40 FHAB S=C(Nc1cccc(CN2CCCC2)c1)Nc1ccc2c(c1)OCCO2 44132808 PZIYUYHFFVZAEG-UHFFFAOYSA-N 369.490 3.863 0 40 FHAB O=C(Cc1ccccc1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1 225447745 UYBRFMZBXIYAER-UHFFFAOYSA-N 366.358 3.736 0 40 FHAB Cc1cccc(N([C@H](C)C(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)c1 220132481 HLHNLIYKYXLBRD-MRXNPFEDSA-N 374.506 3.912 0 40 FHAB CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c(C)n1 225873684 UFKASAHTVQXJGM-UHFFFAOYSA-N 354.450 3.784 0 40 FHAB COc1ccc([C@H](C)NS(=O)(=O)Cc2c(F)cccc2Cl)cc1 44843612 SDSXBNAEIDHVMG-NSHDSACASA-N 357.834 3.668 0 40 FHAB CC(C)Oc1ccccc1C(=O)NCc1ccccc1CN1CCCC1 224792363 ZYUHOMOXFDMVTF-UHFFFAOYSA-N 352.478 4.000 0 40 FHAB CC[C@H](C)C(=O)NCC(=O)Nc1ccccc1CN(C)C1CCCCC1 40158139 LJISGTCJRJJPCB-INIZCTEOSA-N 359.514 3.552 0 40 FHAB CSCc1ccc(CNC(=O)Nc2cccc([C@@H]3CCC(=O)N3)c2)cc1 567222246 AXTDGULNHTUIOI-SFHVURJKSA-N 369.490 3.822 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 42646665 MPBPKVLIJDTZAV-JOYOIKCWSA-N 362.779 3.992 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 223109601 VHDRLYANDBXMPL-LJQANCHMSA-N 372.896 3.826 0 40 FHAB CCOC(=O)c1cc(NC(=O)[C@@](C)(OC)C2CC2)ccc1O[C@H](C)CC 225812337 FYUXEAINONANOO-XCLFUZPHSA-N 363.454 3.794 0 40 FHAB Cc1ccc(C(=O)N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)s1 40113870 FRPPBJQXFHOZPI-UHFFFAOYSA-N 374.481 3.673 0 40 FHAB Cc1ccc(N2CCN(CC(=O)N[C@H]3C[C@H](C)CC(C)(C)C3)C2=O)cc1 49026108 BFPSJNCJCFCBTH-IRXDYDNUSA-N 357.498 3.568 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(C)c(C)c1 222970386 VUEVQLDEWUQKPX-KRWDZBQOSA-N 370.468 3.538 0 40 FHAB Cc1cc(NC(=O)CN[C@@H](C)C2CC(F)(F)C2)ccc1Br 529612337 UWFZEMNCQHBFGN-JTQLQIEISA-N 361.230 3.719 0 40 FHAB COc1cccc(NC(=O)NC[C@H](OC)c2cc3ccccc3o2)c1OC 253473826 YWJSNXWWIHZFCH-SFHVURJKSA-N 370.405 3.959 0 40 FHAB CCOCC(=O)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257252014 JTFOXKKXZZWATQ-HNNXBMFYSA-N 362.857 3.661 0 40 FHAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3cccnc3)o2)CC1)c1cccs1 257331890 XUSOFTXJFYSWGW-HDJSIYSDSA-N 368.462 3.897 0 40 FHAB O=C(NCc1cccc2ccccc12)c1coc(Sc2ncccn2)n1 1628588458 VMHKBIAAHWZBFI-UHFFFAOYSA-N 362.414 3.699 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(c2ccccn2)C1 159760374 GWZDOKJXPCFSDJ-GFCCVEGCSA-N 351.237 3.789 0 40 FHAB O=C(C[C@@H]1CC(=O)Nc2ccccc21)Nc1ccc(Nc2ncccn2)cc1 1568418184 XMAYKUYXVAFMGE-CQSZACIVSA-N 373.416 3.675 0 40 FHAB NC(=O)CCC1CCN(C(=O)c2sc3cc(F)ccc3c2Cl)CC1 95453586 YKISJYQLHFFKKW-UHFFFAOYSA-N 368.861 3.812 0 40 FHAB CC(=O)N[C@H](CC(=O)NCc1ccc(Cl)cc1Cl)c1cccs1 11430209 SCSQFZUBMYLMRZ-CQSZACIVSA-N 371.289 3.939 0 40 FHAB CCOc1ccccc1NC(=O)Cc1cc(-c2cccc(OC)c2)on1 11693180 CCMUIOAQKMODHL-UHFFFAOYSA-N 352.390 3.930 0 40 FHAB CCOc1ccc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)c1 11866777 CUYUSNKYQMKICF-UHFFFAOYSA-N 352.390 3.928 0 40 FHAB O=C(O)c1csc(S(=O)(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 13300869 OXHNHIZCTXIDGW-UHFFFAOYSA-N 371.439 3.818 0 40 FHAB C[C@H](NC(=O)c1ccc(NC(N)=O)cc1)c1ccc(Cl)c(Cl)c1 14416537 AVRHUMROFQCEAE-VIFPVBQESA-N 352.221 3.975 0 40 FHAB Cc1ccc(C(C)C)cc1OCc1nnc2n(C)c(=O)c3ccccc3n12 15552093 JKSSIVZPZIVESQ-UHFFFAOYSA-N 362.433 3.592 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)c2ccc(-n3cccn3)cc2)c1 15602836 KKALQFYGVKNQMT-UHFFFAOYSA-N 351.406 3.922 0 40 FHAB C[C@H](CNC(=O)c1ccc(I)cc1)c1ccccc1 15744785 DNJUPBQVYWCDAG-GFCCVEGCSA-N 365.214 3.825 0 40 FHAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Cn2nc(C)nc2C)c2ccccc12 19285890 GWQZSPRFJAMJBR-KBPBESRZSA-N 366.465 3.570 0 40 FHAB COc1cc(CN2CCCCC[C@@H]2c2ccn(C)n2)cc(OC)c1OC 19291053 VVLTXXOMVKPYMH-QGZVFWFLSA-N 359.470 3.563 0 40 FHAB COc1ccc(C(=O)N2CCC[C@@H](c3cc4cnccc4[nH]3)C2)cc1F 19559518 YCRWNKGWUJLPBO-CQSZACIVSA-N 353.397 3.730 0 40 FHAB Cc1nc2ccc(Cl)cc2cc1C(=O)NCCc1c(C)nn(C)c1C 19718662 REXNITIUXCWTJS-UHFFFAOYSA-N 356.857 3.519 0 40 FHAB CC(C)Oc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1 3659074 CPVCXZNBJZYXBG-WOJGMQOQSA-N 354.381 3.706 0 40 FHAB CCN(CC)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 682212 AFOSAWIRQANDEO-UHFFFAOYSA-N 358.438 3.811 0 40 FHAB CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1Cc1ncccc1C(=O)O 656766279 UHFJHRCVLMCGJG-QGZVFWFLSA-N 360.841 3.785 0 40 FHAB O=C(NC1CCN(CC2(c3ccccc3)CC2)CC1)c1ccc(F)cc1 19369719 VWXFMBUSWQNYQO-UHFFFAOYSA-N 352.453 3.752 0 40 FHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(N(C)C)cc1 5659893 MISFZQGAUXCNFQ-AYOQOUSVSA-N 361.482 3.913 0 40 FHAB CC(C)[C@@H](NS(=O)(=O)c1cccs1)c1ccc2c(c1)OCCCO2 30008087 GPZUHUZELOXVJV-QGZVFWFLSA-N 367.492 3.585 0 40 FHAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Br)cn1 21001841 SGMLGHGPBRVNGZ-VIFPVBQESA-N 355.619 3.904 0 40 FHAB O=C(COc1ccccc1)Nc1cccc(-c2cn3c(n2)SCC3)c1 4249033 IGYAJVQYJBRGDL-UHFFFAOYSA-N 351.431 3.673 0 40 FHAB CC(=O)N[C@@H]1C(=O)N(CCCOc2ccc(C)cc2)c2c(C)cc(C)cc21 8047833 JQNPYCPUWVYJEY-FQEVSTJZSA-N 366.461 3.605 0 40 FHAB COc1cccc(CC(=O)NCc2ccc(C(=O)c3ccsc3)s2)c1 206680713 RTKFKCUXIIYBNV-UHFFFAOYSA-N 371.483 3.908 0 40 FHAB O=C(NCC1(c2cccs2)CCCCC1)[C@@H]1COc2ccccc2O1 49521133 OEDHTBSWYDXMJC-KRWDZBQOSA-N 357.475 3.906 0 40 FHAB CN(C)C(=O)N[C@@H](Sc1nc2ccccc2o1)C(Cl)(Cl)Cl 828161 QVYYSRZPBYXUSU-VIFPVBQESA-N 368.673 3.887 0 40 FHAB Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(F)c3)n2C)c1 896955 JOTXVPFVJRQICS-UHFFFAOYSA-N 356.426 3.660 0 40 FHAB COc1ccc(Nc2nc(NC(=O)Nc3ccc(Cl)cc3)n[nH]2)cc1 1036031 LSIWSDGWXYMLHE-UHFFFAOYSA-N 358.789 3.854 0 40 FHAB COc1ccccc1NC(=O)NC1(C(=O)N2CCCCCC2)CCCCC1 1344855 FADQOAHGVUEQFW-UHFFFAOYSA-N 373.497 3.922 0 40 FHAB [O-][n+]1c2ccccc2[n+]([O-])c2c(-c3ccccc3)n(-c3ccccc3)cc21 1582064 PSCRBUCSGINYGT-UHFFFAOYSA-N 353.381 3.718 0 40 FHAB CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(OC)cc1 1892666 HEKMYPDFXVCTJA-UHFFFAOYSA-N 358.463 3.568 0 40 FHAB CCOC(=O)CCCCC(=O)c1ccccc1I 2580291 PBAMPYGSSRIGPA-UHFFFAOYSA-N 360.191 3.597 0 40 FHAB CCC[C@@H](C)NC(=O)CSc1nnc(Nc2ccc(C)cc2)s1 2640886 DYYYWTDDSRWMLL-GFCCVEGCSA-N 350.513 3.987 0 40 FHAB Cc1ccccc1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 2658241 YXDXJTYZJZTYSY-LJQANCHMSA-N 360.413 3.794 0 40 FHAB O=C(COC(=O)/C=C/c1cccs1)Nc1ccc(OC(F)F)cc1 3271018 DKXFXRCSJQHLPU-BQYQJAHWSA-N 353.346 3.545 0 40 FHAB COc1cc(C(=O)OCC(=O)c2ccc[nH]2)ccc1OCc1ccccc1 3279272 SLXWOCXAIOJMRH-UHFFFAOYSA-N 365.385 3.642 0 40 FHAB CCOC(=O)C(=CNc1cc2c(cc1C)c(C)c(C)n2C)C(=O)OCC 3618865 RASUKWCHUSIFLZ-UHFFFAOYSA-N 358.438 3.526 0 40 FHAB CC1(C)[C@@H](C(=O)Nc2ccc(Br)cc2)CC[C@]1(C)C(=O)O 4670533 NAQKTSMBPWSBHC-MLGOLLRUSA-N 354.244 3.915 0 40 FHAB Cc1ccccc1NC(=O)/C(=C/c1ccncc1)NC(=O)c1ccccc1 4854902 IXJKUTZYMOSSMN-HKWRFOASSA-N 357.413 3.800 0 40 FHAB CC(=O)N[C@@H]1C(=O)N(CCOc2cccc3ccccc23)c2ccc(C)cc21 4993198 LFCLSYKMYCCYAQ-QFIPXVFZSA-N 374.440 3.751 0 40 FHAB O=C(NC1CCCCC1)c1ccc2c(c1)[nH]c(=O)n2CCc1ccccc1 5001857 HLYWYKSABQLVJD-UHFFFAOYSA-N 363.461 3.635 0 40 FHAB COC[C@H](C)n1c(C)cc(C(=O)COc2ccc(-c3nnco3)cc2)c1C 5208555 VESHZPDGBVZMEE-AWEZNQCLSA-N 369.421 3.624 0 40 FHAB FC(F)(F)c1cnc(NNC(=S)NC2CCCCC2)c(Cl)c1 5506057 OOMHHBSZBUOERL-UHFFFAOYSA-N 352.813 3.878 0 40 FHAB COC(=O)c1ccccc1[C@H]1CN=N[C@]12Cc1ccc3c(c1C2=O)CCC3 5539842 BOTBPMPLRZLKRF-XMSQKQJNSA-N 360.413 3.689 0 40 FHAB O=C(C[C@@H]1C=CS(=O)(=O)C1)Nc1cc(Cl)c(Cl)cc1Cl 5567052 IGNSAFBLOGBYIE-ZETCQYMHSA-N 354.642 3.534 0 40 FHAB CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccccc2Cl)cc1 6386321 VBRAJVADZHVZCA-UHFFFAOYSA-N 361.854 3.815 0 40 FHAB CCCN1C(=O)/C(=C\c2ccccc2C(F)(F)F)C(C(=O)OC)=C1C 6654695 KIUOVIUHITZYFO-RAXLEYEMSA-N 353.340 3.788 0 40 FHAB COc1ccc(-c2nc(O)c3c(n2)Oc2ccc(C)cc2C3)c(OC)c1 6748471 QCSDVNZUQPFEHB-UHFFFAOYSA-N 350.374 3.871 0 40 FHAB COc1ccc(C(=O)N2CCC(=O)Nc3cc(C(F)(F)F)ccc32)cc1 6843184 GGXXTZHUYQTSQA-UHFFFAOYSA-N 364.323 3.703 0 40 FHAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1ccc(Cl)cc1Cl 7046707 YYTRZJQEQNKFQK-UHFFFAOYSA-N 369.248 3.641 0 40 FHAB COC(=O)c1sccc1NS(=O)(=O)c1cccc(Cl)c1Cl 7230204 MMUAIOKBFKUOAH-UHFFFAOYSA-N 366.247 3.642 0 40 FHAB COc1ccc(C(=O)NC(=S)Nc2c(C)cc(C)cc2C)c(OC)c1 7388727 FSUMZJKFMNOWIT-UHFFFAOYSA-N 358.463 3.756 0 40 FHAB C/C=C/c1ccc(OCC(=O)OCc2cc(C(=O)OC)c(C)o2)c(OC)c1 7433009 VAEBFJTWTDIATL-AATRIKPKSA-N 374.389 3.539 0 40 FHAB Cc1cc(Cl)ccc1OCC(=O)N(C)Cc1cnn(-c2ccccc2)c1 7830992 JVUHPYXAJWRJME-UHFFFAOYSA-N 369.852 3.872 0 40 FHAB Cc1cccc(N2C[C@@H](C(=O)Oc3ccc(Br)cc3)CC2=O)c1 7929054 AQPGIRTVDXAPEY-ZDUSSCGKSA-N 374.234 3.716 0 40 FHAB COc1ccc(Cl)cc1NC(=O)CCc1nc(-c2ccccc2)no1 8060615 RQOQVSWNCZFLKB-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB CCc1ccccc1OCC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 8128794 ZJKQYESXIOXTLR-QFIPXVFZSA-N 369.461 3.913 0 40 FHAB CCOC(=O)/C(=C\c1cn(C(C)=O)c2ccccc12)P(=O)(OC)OC 8665458 GMSYMTOIHWKHQD-MHWRWJLKSA-N 365.322 3.691 0 40 FHAB CC(C)Nc1nnc(SCc2nc(-c3ccc(F)cc3)no2)s1 8708306 FWWPYSPBYWUQCK-UHFFFAOYSA-N 351.432 3.840 0 40 FHAB Cc1ccccc1Nc1nc(N)nc(COc2ccc(F)c(Cl)c2)n1 9125336 IIHNRHWMGGGBCH-UHFFFAOYSA-N 359.792 3.877 0 40 FHAB CN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1Br 9158656 BQFSPJQRRFDZKA-UHFFFAOYSA-N 371.234 3.563 0 40 FHAB CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccccc2)ccc1Cl 9956701 ZRRAVWDDRLQIKS-MRXNPFEDSA-N 363.866 3.721 0 40 FHAB Cc1cc(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)on1 10205885 DEQHJQSJWHFWFI-UHFFFAOYSA-N 364.477 3.691 0 40 FHAB Cc1nn(C)c(C)c1CC(=O)Nc1nc(-c2ccccc2Cl)cs1 10679571 NYKVJRJOTIZDFD-UHFFFAOYSA-N 360.870 3.995 0 40 FHAB O=C(CSc1nnc(NCCc2ccccc2)s1)Nc1ccccc1 10772069 RFCFPZXRHPGVTN-UHFFFAOYSA-N 370.503 3.924 0 40 FHAB O=C(Cc1csc(SCc2ccncc2)n1)NCc1ccc(F)cc1 11856071 RTYHEFURKXNLKE-UHFFFAOYSA-N 373.478 3.828 0 40 FHAB CCCOc1ccc(C(=O)CCNc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 12411257 WJFIFBOQTFFYOM-AWEZNQCLSA-N 368.433 3.880 0 40 FHAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCn3c2nc2ccccc23)cc1 12527109 SLOAZERJFQRLCR-CQSZACIVSA-N 355.463 3.759 0 40 FHAB COc1cc(NC(=O)c2cccc3c2O[C@@H](C)[C@H]3C)cc(OC)c1OC 12745701 REEBTEWIEIUBAT-NEPJUHHUSA-N 357.406 3.849 0 40 FHAB CC(=O)c1sc(C2CCN(C(=O)c3cc(C(C)C)no3)CC2)nc1C 12750851 KQLLEDFDCHRYGU-UHFFFAOYSA-N 361.467 3.785 0 40 FHAB CC(C)n1ncc2cc(C(=O)N(Cc3ccccc3F)C3CC3)cnc21 12789123 UGXKXSTWGNEVDK-UHFFFAOYSA-N 352.413 3.956 0 40 FHAB COc1ccc(-c2nc(Cn3nnc(-c4cccc(F)c4)n3)cs2)cc1 12979821 FSQCARSSACEENH-UHFFFAOYSA-N 367.409 3.660 0 40 FHAB O=S(=O)(c1ccccc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 12983693 PEYWRBPIOMOPAK-CQSZACIVSA-N 358.488 3.865 0 40 FHAB C[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc(OC(F)F)cc1 13012626 XJGGRMBCOJQWTL-GFCCVEGCSA-N 363.360 3.827 0 40 FHAB CCOc1ccc(NC(=O)Nc2ncn(Cc3ccc(F)cc3)n2)cc1 13326037 CWKOWBWKPIKMIC-UHFFFAOYSA-N 355.373 3.508 0 40 FHAB COc1ccc(Cn2nccc2NC(=O)c2cc(C)cc(C)c2)c(OC)c1 14226663 UOBGOIXLXABWTG-UHFFFAOYSA-N 365.433 3.818 0 40 FHAB CCOc1cc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1OC 15270882 VGWGLHHHUALVTF-UXBLZVDNSA-N 372.377 3.663 0 40 FHAB Cc1ccc(C(C)C)c(OCC(=O)N2CCN(c3ccccc3F)CC2)c1 15433235 IUAKDEHGTDIMML-UHFFFAOYSA-N 370.468 3.985 0 40 FHAB CC(C)c1ccc(/C=c2/sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1 16779391 KDCANHNDDSHDAY-NIEGGPFSSA-N 373.481 3.993 0 40 FHAB CCOc1ccccc1-n1nnc(C(=O)OCc2ccccc2C)c1C 16846289 UPDACWWRJJTQEA-UHFFFAOYSA-N 351.406 3.640 0 40 FHAB CC[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(OC)cc1 18131738 TZNSZNVGNSFLJU-MRXNPFEDSA-N 359.422 3.602 0 40 FHAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3cccc(NC(=O)c4ccccc4)c3)C(=O)[C@@H]21 18247434 IWJIFGQXFPVUSP-MDASCCDHSA-N 360.413 3.641 0 40 FHAB CC(C)c1ncc2c(n1)C1(CCN(Cc3cccc(F)c3F)CC1)OCC2 19454247 UOGBDTBANRBLNP-UHFFFAOYSA-N 373.447 3.942 0 40 FHAB COc1ccc(C(=O)O)cc1NC(=O)COc1c(C)cc(C)cc1Cl 20144373 HNTWZCVYXKVKNJ-UHFFFAOYSA-N 363.797 3.681 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 20460164 ABEBFMHKYUWAAW-IBGZPJMESA-N 370.424 3.858 0 40 FHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccsc1 21055688 BMYDELPWMLHDPT-UHFFFAOYSA-N 359.369 3.973 0 40 FHAB O=C(Cc1cccs1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 24042367 GRKBSUNVNQYHTD-UHFFFAOYSA-N 352.341 3.529 0 40 FHAB CCOc1ccc(C(=O)NCCOc2ccc(C)cc2C)cc1OCC 24388494 VBEUNFRRVAXWSD-UHFFFAOYSA-N 357.450 3.910 0 40 FHAB Cc1noc(C)c1CCC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 24692050 RAITVSVUJMCRHU-HNNXBMFYSA-N 353.422 3.771 0 40 FHAB CCn1c(SCC(=O)c2ccc(CNC(C)=O)s2)nc2ccccc21 24702696 IRTDCMYLAIIJLV-UHFFFAOYSA-N 373.503 3.729 0 40 FHAB COC(=O)c1c(C)cccc1NC(=O)c1cccc(Nc2ncccn2)c1 25085055 GXXNTYFMFMAYSO-UHFFFAOYSA-N 362.389 3.568 0 40 FHAB O=C(CN(Cc1ccco1)C(=O)Cc1cccs1)Nc1ccccc1 25387595 COKPUIRLGHWJDT-UHFFFAOYSA-N 354.431 3.551 0 40 FHAB Cc1[nH]c2ccc(C(=O)NC[C@@H](C)N3CCc4ccccc4C3)cc2c1C 25630335 VNAQAMBMSSVCRJ-OAHLLOKOSA-N 361.489 3.961 0 40 FHAB CCn1c(C)c(C2N3CC4(CC)CN2CC(CC)(C3)C4O)c2ccccc21 27489133 HYWPIDQYBBOWRI-UHFFFAOYSA-N 367.537 3.767 0 40 FHAB Cc1ccc([C@H](CNC(=O)COc2ccccc2Cl)N2CCCC2)cc1 27793049 NEGFPPNZJJNQAM-IBGZPJMESA-N 372.896 3.981 0 40 FHAB O=C(CCc1nc(-c2cccs2)no1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 27849932 GMFOPRMOXDBDNM-MNOVXSKESA-N 373.400 3.968 0 40 FHAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H](C)n1cnc2ccccc21)CC3 30647326 LNUVPHUCVJIDOR-OAHLLOKOSA-N 358.445 3.972 0 40 FHAB C[C@@H]1C[C@@H](C)CN(CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C1 30921340 HNLJQNODBFXMSU-BFYDXBDKSA-N 355.438 3.528 0 40 FHAB Cc1c(C(=O)NCC23CC4CC(CC(C4)C2)C3)cnn1-c1ccccn1 31910765 AQMUXMMRCSUMTA-UHFFFAOYSA-N 350.466 3.522 0 40 FHAB O[C@@H](COc1ccccc1F)Cn1c(C(F)(F)F)nc2ccccc21 32907303 NSAKIOMNIPLFED-LLVKDONJSA-N 354.303 3.634 0 40 FHAB COc1ccc2c(c1)c1nnc(SCc3ccccc3F)nc1n2C 35313336 FQGUVCYPZNTIDQ-UHFFFAOYSA-N 354.410 3.957 0 40 FHAB Cc1nn(C)cc1-c1nn(-c2cccc(F)c2)c(-c2cn(C)nc2C)c1C 36611622 OWWXLEXRBNDUHO-UHFFFAOYSA-N 364.428 3.738 0 40 FHAB Cn1c(NC(=O)c2ccc(F)cc2)c(-c2ccccn2)c(=O)c2ccccc21 37866283 RPCXSXXIABJMTH-UHFFFAOYSA-N 373.387 3.992 0 40 FHAB CCc1sc(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)cc1C 40090618 LIFYRIHRSGGNPV-UHFFFAOYSA-N 372.490 3.872 0 40 FHAB Cc1nnc(NC(=O)CCSc2ccccc2Br)s1 40129274 NBMHWUQPDGNKJU-UHFFFAOYSA-N 358.286 3.730 0 40 FHAB C[C@@H](NC(=O)Cc1csc(Cc2ccccn2)n1)c1cccc(F)c1 40130414 RMULYIIDRCYDGL-CYBMUJFWSA-N 355.438 3.688 0 40 FHAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(OC)cc1 42645592 ZBTOWXMFLXUMSX-OAHLLOKOSA-N 370.449 3.583 0 40 FHAB CC[C@H]1CCCCN1CCCNC(=O)c1ccc(Cn2ccnc2C)cc1 44908396 LDUZISMNLSIYOP-NRFANRHFSA-N 368.525 3.624 0 40 FHAB CCCc1noc2nc(C3CC3)cc(C(=O)N3CCO[C@@H]4CCCC[C@H]43)c12 46482647 AOQZPRYNOVYIDJ-QZTJIDSGSA-N 369.465 3.836 0 40 FHAB Cc1ccc(-n2cnnn2)cc1NC(=O)N[C@@H](C)c1cccc(Cl)c1 47926964 AUBNIOLTJFDZCW-LBPRGKRZSA-N 356.817 3.507 0 40 FHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCN(c2ccccc2)CC1 48261273 CWCFAXAWBDHHTJ-HMXCVIKNSA-N 358.526 3.813 0 40 FHAB CN(C)Cc1ccc(CNC(=O)Nc2ccccc2N2CCCC2)cc1 48345193 UOFPRTZYAHBVKY-UHFFFAOYSA-N 352.482 3.670 0 40 FHAB Cc1n[nH]c(-c2ccc(NC(=O)c3csc(Br)c3)cc2)n1 50896414 SBAJHIJLKZZUSQ-UHFFFAOYSA-N 363.240 3.856 0 40 FHAB Cc1cc(N2CCSCC2)ccc1NC(=O)N(C)Cc1c(C)noc1C 51673191 YWBHYYNEFSPALR-UHFFFAOYSA-N 374.510 3.817 0 40 FHAB CC[C@H](NC(=O)/C=C(\C)C1CC1)c1ccccc1OCC(=O)N1CCCC1 55596133 LYXJGASEQRUKKW-IDCODDLRSA-N 370.493 3.611 0 40 FHAB O=C(Nc1ccccc1Cn1cncn1)c1cc2c(F)cccc2s1 55968867 ZMTKRBZQOXMFBK-UHFFFAOYSA-N 352.394 3.933 0 40 FHAB COc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)n[nH]2)c(OC)c1 57477340 OTALHKYUCWWOLS-GFCCVEGCSA-N 369.396 3.724 0 40 FHAB CCN(C)c1cccc(NC(=O)Cn2c(CSC)nc3ccccc32)c1 58138070 MBCDIPKRIURSQG-UHFFFAOYSA-N 368.506 3.994 0 40 FHAB CCS(=O)(=O)Nc1ccc(NC(=O)CCCc2cccs2)cc1C 58157663 VLMLSWNMFVCQER-UHFFFAOYSA-N 366.508 3.780 0 40 FHAB Cn1c(=O)oc2cc(-c3csc(NCCc4ccccc4)n3)ccc21 58166348 ITKWXIZNKRSVLM-UHFFFAOYSA-N 351.431 3.910 0 40 FHAB Cc1cn2c(/C=C/C(=O)NCCc3c(F)cccc3F)c(C)nc2s1 58489341 ZZMAUDYVABTINP-VOTSOKGWSA-N 361.417 3.663 0 40 FHAB Cc1cccc([C@H]2CCCCN2C(=O)c2ccc(S(C)(=O)=O)o2)c1C 81323302 HOIXQYFBSBEKBH-MRXNPFEDSA-N 361.463 3.667 0 40 FHAB COCCOc1ccc(C(=O)N2[C@@H](C)c3ccc(F)cc3C[C@H]2C)cc1 95455922 PHUOLAVBMMGCJF-CABCVRRESA-N 357.425 3.999 0 40 FHAB O=C(N[C@@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21)c1ccc[nH]1 96079848 JPQOYLYQYJFTKE-LJQANCHMSA-N 365.477 3.513 0 40 FHAB Cc1c(F)cccc1NS(=O)(=O)c1ccc(Br)cc1F 96170893 OXWRVADIOQLCGZ-UHFFFAOYSA-N 362.195 3.837 0 40 FHAB Cc1cccc(N2C[C@]3(CCN(C(=O)Nc4ccc(F)cc4)C3)CC2=O)c1 96238536 RYUBEAZYRXQGCL-OAQYLSRUSA-N 367.424 3.795 0 40 FHAB COC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)c2cccc(C)c2)c1 97327225 ZLJRAWSHGKUJHO-INIZCTEOSA-N 425.485 1.930 0 40 FHAB CSC[C@@H](C)N(C)Cc1nc(C(C)C)cc(N(C)[C@H](C)CSC)n1 107364099 SFZDKWXQLFPNND-HUUCEWRRSA-N 370.632 3.971 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)CSCc2cccc(C)c2)cc1 222741786 XFABULHZLMQQQC-INIZCTEOSA-N 359.491 3.821 0 40 FHAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1 224646934 KPZNTXVSERGLGH-KRWDZBQOSA-N 370.468 3.700 0 40 FHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 225002778 JGCWITXOLSLFRW-RBUKOAKNSA-N 366.505 3.870 0 40 FHAB O=C(NCC1=N[C@@H](c2ccccc2)c2ccccc2-n2cccc21)C1CC1 225376034 YPXNZUDORVOWDZ-QFIPXVFZSA-N 355.441 3.896 0 40 FHAB COC(=O)c1cccc(NC(=S)N[C@H](C)COc2ccc(C)cc2)c1 225642182 KDKUPQPTQBUXNF-CQSZACIVSA-N 358.463 3.536 0 40 FHAB COCCNC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CCCC1 225708565 GGKYJUJABGCKJQ-UHFFFAOYSA-N 366.461 3.513 0 40 FHAB COc1cc(C)nc(NC(=S)NCc2ccc(-c3ccccc3)o2)n1 225919074 RIPVMURTFDYALH-UHFFFAOYSA-N 354.435 3.540 0 40 FHAB O=C1c2ccccc2CCN1C1CCN(Cc2ccc(F)cc2F)CC1 257209783 BRWGWVADAOQLPS-UHFFFAOYSA-N 356.416 3.628 0 40 FHAB CCN(CC)C(=O)c1cc2c(N3CCCCC3)nc(SC)nc2s1 408625855 YJEXYOBQOORPMZ-UHFFFAOYSA-N 364.540 3.886 0 40 FHAB CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OC 409074277 LJTLGTZIOFKEIN-OQLLNIDSSA-N 372.808 3.845 0 40 FHAB Cc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c1 409247307 MIXYBALPCQUJFS-CXUHLZMHSA-N 370.405 3.809 0 40 FHAB CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2CN(CCC(C)(C)C)C[C@H]21 514288695 UPGXAQKZVPHJPA-ZBFHGGJFSA-N 370.415 3.659 0 40 FHAB biogenic,in-vitro O=C(NCCCc1ccccc1)NC[C@H](O)c1ccc(-c2ccco2)cc1 585148056 BXPQQSJDWRWRCK-FQEVSTJZSA-N 364.445 3.912 0 40 FHAB CC[C@@H]1C[C@H](NC(=O)N2CCC[C@H](c3ccc(F)c(F)c3)C2)CCO1 624228549 VHDSQZAHFACBQE-ARFHVFGLSA-N 352.425 3.811 0 40 FHAB C[C@@H]1NCCO[C@H]1c1ccc(-c2cc(F)ccc2OC[C@H]2CCOC2)cc1 629702006 ZKVPCCRYCZUHHC-PONJGIIJSA-N 371.452 3.957 0 40 FHAB CN1CCCCCCN[C@@H](Cc2ccccc2)COc2ccccc2C1=O 643569630 MZDVAKXWXGNJPH-FQEVSTJZSA-N 366.505 3.912 0 40 FHAB COc1cc(OC)cc([C@H](C(=O)O)N2CCc3ccc(F)cc3[C@H](C)C2)c1 652511241 RSGRUIWAAMAEBA-ZUOKHONESA-N 373.424 3.630 0 40 FHAB O=C(C[C@@H]1C(=O)Nc2ccccc21)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 684512770 DQROIMLQLIQVQP-LESCRADOSA-N 352.409 3.704 0 40 FHAB Cc1ccc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)c(C)c1 1203733066 YKAAFIWTTLNAGJ-UHFFFAOYSA-N 364.489 3.701 0 40 FHAB Cc1ccc(S(=O)(=O)C2=NNc3c(-c4ccccc4)cnn3[C@H]2C)cc1 1548338245 PSCOTXPESUWNLO-AWEZNQCLSA-N 366.446 3.632 0 40 FHAB O=C(c1cc[nH]c1)N1CC[C@]2(c3ccc(-c4ccoc4)cc3)CCOC[C@H]12 1565551582 SSFHTJKNJJJNBS-RBBKRZOGSA-N 362.429 3.848 0 40 FHAB Cc1cccc(CCC(=O)Nc2nc(-c3ccc4ccccc4n3)n[nH]2)c1 1624759368 XLEMBLMQUDHJRP-UHFFFAOYSA-N 357.417 3.900 0 40 FHAB COc1cccc(NC(=O)N2CCC(COc3ccncc3C)CC2)c1 1890283510 SQNQXJOXNDPUKN-UHFFFAOYSA-N 355.438 3.722 0 40 FHAB O=C(NCc1ccccc1COc1ccccc1)[C@@H]1Cc2ccccc2O1 30511384 JFOLNKBUAHYTPR-QFIPXVFZSA-N 359.425 3.886 0 40 FHAB Cc1nc2cc(NC(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)ccc2o1 36395435 AUQFDWFLDOKHAF-BBRMVZONSA-N 363.417 3.684 0 40 FHAB O=C(O[C@@H](C(=O)NCc1cccs1)c1ccccc1F)c1ccco1 1381221 SAZMMYOHFUCBND-MRXNPFEDSA-N 359.378 3.695 0 40 FHAB Cc1ccc(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)c(O)c1 58818933 CNRYUUJTZOPLOJ-UHFFFAOYSA-N 355.369 3.851 0 40 FHAB CCCCOc1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1 4965885 XPLYKTXZBONQCO-UHFFFAOYSA-N 354.454 3.511 0 40 FHAB Cc1ccccc1CSCC(=O)Nc1ccc(N2CCCC2=O)cc1 7185784 PDZSNPOXLBSTNP-UHFFFAOYSA-N 354.475 3.994 0 40 FHAB CC(=O)NCc1ccc(C(=O)COc2cc(Cl)ccc2Cl)s1 7426820 MSJPHZQKPAZLQI-UHFFFAOYSA-N 358.246 3.953 0 40 FHAB CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(C)cc1 2437869 RILSGFMQCGGVAY-UHFFFAOYSA-N 372.519 3.990 0 40 FHAB C[C@@H](NC(=O)CCNC(=O)c1cccs1)c1cccc2ccccc12 32716687 MJZXEPTYWOEUML-CQSZACIVSA-N 352.459 3.899 0 40 FHAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)[nH]1 10475498 KCVBPWKYKWXEIE-UHFFFAOYSA-N 374.853 3.865 0 40 FHAB COC(=O)c1ccc(F)c(NC(=O)c2cc(-c3ccc(C)cc3)no2)c1 32833474 CFFSFJOYEHEXSZ-UHFFFAOYSA-N 354.337 3.828 0 40 FHAB CC(C)Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccco1 8389081 YWBITVUZTJXIRP-UHFFFAOYSA-N 356.451 3.925 0 40 FHAB Cc1nc(S)sc1CC(=O)N(C)Cc1ccccc1C(F)(F)F 32908658 NKAORCMEASWFBT-UHFFFAOYSA-N 360.426 3.960 0 40 FHAB O=C(NC(=S)Nc1ccccn1)c1ccc(OCc2ccccc2)cc1 9064024 LSDVLSSHPRHSTQ-UHFFFAOYSA-N 363.442 3.787 0 40 FHAB CCCCCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 102609230 OTLUDXHDCJYXCB-CWLKWCNXSA-N 355.434 3.569 0 40 FHAB C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1cccc(N2CCCCC2=O)c1 46008389 VXJYOTIVCYYXMS-VQIMIIECSA-N 373.497 3.920 0 40 FHAB COCCn1cc(NC(=O)c2ccc(-c3ccccc3F)s2)ccc1=O 46201100 RIUWEZJAVHQKJU-UHFFFAOYSA-N 372.421 3.615 0 40 FHAB COc1cccc(-c2noc(-c3cc4cc(C)ccc4oc3=O)n2)c1OC 57354714 BMMAKIJPWLPTQC-UHFFFAOYSA-N 364.357 3.836 0 40 FHAB C[C@]1(CCc2ccccc2)NC(=O)N(CCOc2cccc(Cl)c2)C1=O 8389350 BHLLBPQJYJURHZ-HXUWFJFHSA-N 372.852 3.662 0 40 FHAB COc1ccc(C)cc1-n1c(S[C@H](C)C(C)=O)nc2ccccc2c1=O 22143964 GWIGJTKRNJZLSN-CQSZACIVSA-N 368.458 3.772 0 40 FHAB O=C([C@@H](Oc1ccc(Cl)cc1Cl)c1ccccc1)N1CCOCC1 8395285 XOXYYNASVJFQTP-KRWDZBQOSA-N 366.244 3.972 0 40 FHAB O=S(=O)(Cc1ccc(Cl)nc1)c1nccn1-c1cccc(Cl)c1 103622828 FYZGUEBITIGMNI-UHFFFAOYSA-N 368.245 3.548 0 40 FHAB COCCOc1cc(NC(=O)c2cc(F)c(F)cc2Cl)ccc1OC 24936582 RHXQGZCRJKAQHO-UHFFFAOYSA-N 371.767 3.904 0 40 FHAB COC(=O)[C@]1(C)[C@H]2[C@H]3CC=C[C@@H]3[C@H]3[C@@H]2[C@@H]2[C@H]4[C@@H]5[C@@H](CC[C@@]5(C)[C@H](O)[C@@]34C)[C@H]21 104294587 LOVUPQYSFMEJMR-SHMPLTFNSA-N 368.517 3.523 0 40 FHAB O=C(O[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cc2ccccc2o1 12239487 VFMFEYUFVUKACX-GOSISDBHSA-N 353.349 3.749 0 40 FHAB CCCCc1ccc(-n2nc3ccc(NC(=S)NC(C)=O)cc3n2)cc1 20971863 WPZJCQSSNJTXCU-UHFFFAOYSA-N 367.478 3.596 0 40 FHAB CC(C)[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1cccs1 24318056 HWIWGSRDHAGQBE-SCLBCKFNSA-N 360.454 3.754 0 40 FHAB Cc1ccnn1C[C@@H](C)c1cc(O)n2ncc(-c3ccc(F)cc3)c2n1 100775485 QXBOIFDUFFKAPW-GFCCVEGCSA-N 351.385 3.550 0 40 FHAB Nc1nc(-c2ccc(Cl)cc2)c(S(=O)(=O)c2ccccc2)s1 1403661 RXKRSRHOCYGRBY-UHFFFAOYSA-N 350.852 3.879 0 40 FHAB COC(=O)c1ccc2nc(NC(=S)Nc3ccc(OC)cc3)sc2c1 107784359 GDDMSUKCTFJJLL-UHFFFAOYSA-N 373.459 3.900 0 40 FHAB Cc1csc(NC(=O)c2ccc(C(=O)Nc3nc(C)cs3)cc2)n1 1702739 SHXZAHPYXSXERG-UHFFFAOYSA-N 358.448 3.721 0 40 FHAB O=c1c2oc3ccccc3c2ncn1Cc1coc(-c2ccc(F)cc2)n1 26556595 PZIFAMJLBSLCRM-UHFFFAOYSA-N 361.332 3.985 0 40 FHAB C[C@H](NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1ccncc1 21902989 HFVLTHDLNOXDNP-INIZCTEOSA-N 360.413 3.569 0 40 FHAB O=C1c2ccccc2N[C@@H](c2ccc3c(c2)OCCO3)N1CC(F)(F)F 12543054 UUCYCNPKSKLULD-MRXNPFEDSA-N 364.323 3.587 0 40 FHAB CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3cc(C)ccc3C)ccc21 12586886 CXANRJWRPKWXMK-OAHLLOKOSA-N 351.450 3.652 0 40 FHAB O=C(COC(=O)COc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 1941378 CYUPRKOVPQUCMS-UHFFFAOYSA-N 354.189 3.554 0 40 FHAB Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3Cl)C2=O)cc(C)c1O 110204661 XYLWNKFCSYEAKK-SXGWCWSVSA-N 356.809 3.755 0 40 FHAB Cc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 3268870 KGQMLQFUQGQNIK-UHFFFAOYSA-N 367.474 3.743 0 40 FHAB COc1ccc(-c2noc(CNC(=S)Nc3ccccc3C)n2)cc1 12654282 SVMCCLUZCKMHAI-UHFFFAOYSA-N 354.435 3.540 0 40 FHAB C[C@H](Nc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc2c(c1)OCO2 3327951 JVIOEASQGWVBAA-JTQLQIEISA-N 352.312 3.873 0 40 FHAB c1csc(-c2nc(CN3CCC[C@H]3c3nnc4ccccn34)co2)c1 48280298 HWDOGFOXUOKXBL-AWEZNQCLSA-N 351.435 3.783 0 40 FHAB Nc1cc(C(=O)OCC(=O)Nc2ccc3ccccc3c2)ccc1Cl 3451530 MDUNAGVXAXPULW-UHFFFAOYSA-N 354.793 3.871 0 40 FHAB C[C@@H](OC(=O)c1ccccc1Br)C(=O)N(C)c1ccccc1 3506891 ZZCOXAQAOMGGHC-GFCCVEGCSA-N 362.223 3.657 0 40 FHAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCCCCC1)c1ccccc1 13019252 DXWHLUINXOICSF-OAQYLSRUSA-N 364.489 3.820 0 40 FHAB O=C1NC2(CCCCCC2)C(=O)N1Cc1ccccc1Br 8404735 IKKURJLLYOZJEN-UHFFFAOYSA-N 351.244 3.594 0 40 FHAB Cc1cc(I)ccc1NC(=O)[C@H]1C[C@H]2CC[C@@H]1C2 4109636 GPGAJOBVZNJYON-LOWVWBTDSA-N 355.219 3.974 0 40 FHAB Cc1nnc(SCc2cc(=O)oc3cc(O)ccc23)n1-c1ccccc1 6109355 VNILBYCPPOTWMN-UHFFFAOYSA-N 365.414 3.680 0 40 FHAB Cc1nc(-c2cccc(NC(=O)CNC(=O)C3CCCCC3)c2)cs1 14093749 KPTNLYJFFNIBOK-UHFFFAOYSA-N 357.479 3.754 0 40 FHAB CCOc1ccccc1-c1nnc(SCC(=O)N(C)c2ccccc2)o1 14093706 OBRWWOGWEKEMCJ-UHFFFAOYSA-N 369.446 3.890 0 40 FHAB CCCOC(=O)c1ccc(NC(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1 65586121 DBZVCRKBSWNTCC-LJQANCHMSA-N 367.449 3.972 0 40 FHAB COc1cccc([C@H](CNc2ncnc3sccc23)N2CCCC2)c1 14123932 MEJATGJKAUKNLS-KRWDZBQOSA-N 354.479 3.949 0 40 FHAB O=C(NCc1ccccn1)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 14282901 SLEDOVFSBPCGPE-UHFFFAOYSA-N 364.424 3.605 0 40 FHAB COc1ccc2c(CC(=O)OCC(=O)NCCC3=CCCCC3)coc2c1 6762085 UHLNPRQEMUJKAP-UHFFFAOYSA-N 371.433 3.534 0 40 FHAB CCOc1cc2c(cc1CNCc1ccc(NC(C)=O)cc1)O[C@H](C)C2 8750682 YCKLQECYLVPGAS-CQSZACIVSA-N 354.450 3.657 0 40 FHAB Cc1ccccc1OCCN1C(=O)C(=O)c2cc(Br)cc(C)c21 6809365 IAZOSQLONUUZLW-UHFFFAOYSA-N 374.234 3.674 0 40 FHAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1cncc(Br)c1 7737075 VBKCCHNDYSPZKO-QMMMGPOBSA-N 351.166 3.647 0 40 FHAB O=C(Cc1csc(-c2ccccc2)n1)Nc1ccnn1Cc1ccco1 7989118 MXEXGXXHQHOJTB-UHFFFAOYSA-N 364.430 3.829 0 40 FHAB O=C(Cc1cn2ccsc2n1)NCCc1ccc(Cl)cc1Cl 8281513 SPWMPCSKYCVRGI-UHFFFAOYSA-N 354.262 3.604 0 40 FHAB COc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)n2)cc1 9318065 NUDNJIBZCLZPRW-ZDUSSCGKSA-N 369.808 3.919 0 40 FHAB CN(Cc1ccccc1-c1ccccc1)[C@H]1CCN(CC(F)(F)F)C1=O 83865616 WKYKFWNIOINETO-SFHVURJKSA-N 362.395 3.949 0 40 FHAB Cc1ccc(-c2nc(CC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)cs2)cc1 75906166 QAPUWSJJOIQFEX-DYESRHJHSA-N 370.518 3.815 0 40 FHAB Cc1ncc(/C=C/C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)s1 84290571 MVFQJVABZBQFKS-VOTSOKGWSA-N 360.439 3.685 0 40 FHAB CCc1ccc([C@H](C)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 78710435 VYWGZSQKNOBEOT-HOTGVXAUSA-N 360.523 3.911 0 40 FHAB COc1ccc(OC)c2c1CN(Cc1cc(C(C)C)c(O)cc1C)C[C@H]2O 95446135 RLLYZQKIEQFVPB-LJQANCHMSA-N 371.477 3.890 0 40 FHAB Cn1ccnc1[C@@H]1CCCN1C(=O)CCC(=O)c1ccc2c(c1)CCCC2 95456713 XAAMXMSWXUTXTD-IBGZPJMESA-N 365.477 3.626 0 40 FHAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1sc2ccccc2c1Cl 95957165 ATKKKBXKIZANBC-ZDUSSCGKSA-N 356.834 3.612 0 40 FHAB Cc1nc(SCc2nsc(N(C)C)n2)c2c(C)c(C)sc2n1 79101614 PVLWOQFBTXMSOZ-UHFFFAOYSA-N 351.526 3.826 0 40 FHAB Cc1cccc(-n2cccc2/C=c2\sc3nc4ccccc4n3c2=O)c1 408961251 LTBKXKZQPZSLPE-UYRXBGFRSA-N 357.438 3.556 0 40 FHAB CCCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(C)c1 408607796 OJBUDRCIUMGABG-UHFFFAOYSA-N 360.479 3.716 0 40 FHAB CC(C)c1ccc([C@H](CNC(=O)c2csnn2)N2CCCCC2)cc1 35673453 HFMXOMIKJGXELC-SFHVURJKSA-N 358.511 3.619 0 40 FHAB O=C(COc1ccc(Br)cc1)n1cc(CO)c2ccccc21 218741622 KLPQAJRSPAWSPT-UHFFFAOYSA-N 360.207 3.615 0 40 FHAB Cc1ccc(NC(=O)CNC(=O)Cc2coc3c(C)c(C)ccc23)cc1 72427716 DMIVQFIOHBQZTE-UHFFFAOYSA-N 350.418 3.655 0 40 FHAB COc1ccc(Cl)cc1NC(=O)NC[C@H]1COC2(CCCCC2)O1 38936681 CMROOLSOMKZLHI-ZDUSSCGKSA-N 354.834 3.546 0 40 FHAB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)COc2ccccc2)c1C 225783476 CNIDPEOQABSCCG-AWEZNQCLSA-N 372.490 3.926 0 40 FHAB COc1ccc2nc(C)cc(OCC(=O)Nc3ccccc3OC)c2c1 84733668 FCOCYTOIHCBAPZ-UHFFFAOYSA-N 352.390 3.578 0 40 FHAB Cc1ccc(OCCCCNC(=O)c2cncc(Br)c2)cc1 40122461 VWFVBFYUDWQTOX-UHFFFAOYSA-N 363.255 3.742 0 40 FHAB COc1ccc(C(=O)N[C@H]2CCC[C@H](OC(=O)Nc3ccccc3)C2)cc1 75165841 IZBNSJPXAWJMHE-HKUYNNGSSA-N 368.433 3.985 0 40 FHAB CC(C)CNC(=O)C[C@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21 96053545 NVCSQIJFKRRYOO-IBGZPJMESA-N 370.537 3.960 0 40 FHAB Fc1ccc(C2(c3noc(COC[C@@H]4CCCO4)n3)CCCC2)c(F)c1 581693206 NEIGWVUXDBGMBC-AWEZNQCLSA-N 364.392 3.904 0 40 FHAB COc1ccccc1CC(=O)NCc1nc2ccccc2n1CC(C)C 96224155 HHCOSQAVHCSIQY-UHFFFAOYSA-N 351.450 3.560 0 40 FHAB O=C(c1ccn(-c2ccc3ccc(-c4ccncc4)cn23)n1)N1CCCCC1 96155371 KYXYNPMQFCWMRS-UHFFFAOYSA-N 371.444 3.813 0 40 FHAB O=C(CN1CCCC1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257344584 ZXXPRZOSKHYIQB-IBGZPJMESA-N 371.456 3.554 0 40 FHAB CC(C)n1cc(-c2cnc(C[C@H]3CCN(C(=O)OC(C)(C)C)C3)cn2)cn1 257222815 DUUDVFZVFFOOAR-OAHLLOKOSA-N 371.485 3.721 0 40 FHAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)C(C)(C)OC)CC2)n1 257232294 GKGJHOGONLRPLT-UHFFFAOYSA-N 371.481 3.738 0 40 FHAB Cc1cc(C)n(-c2ccc(N3CCC[C@H](c4ccc(F)c(F)c4)C3)nn2)n1 624446533 PJEWRLMJFHGRGG-INIZCTEOSA-N 369.419 3.941 0 40 FHAB Cn1c2c(ccc1=O)[C@H](N[C@@H]1CCCc3nn(-c4ccccc4)cc31)CCC2 652334364 JURNUMWANUDBCW-WOJBJXKFSA-N 374.488 3.616 0 40 FHAB CCn1ccnc1[C@@H]1OCC[C@H]1CN[C@@H](c1ncc[nH]1)C1CCCCC1 658193968 HLBCCRWQRODWHE-RCCFBDPRSA-N 357.502 3.615 0 40 FHAB Cc1cc2c(cc1C)N(C(=O)N[C@H](c1ccccc1)c1cnn(C)c1)CC2 1322981028 YEASRFBVLVXKPC-OAQYLSRUSA-N 360.461 3.899 0 40 FHAB Fc1ccc([C@H]2CN(Cc3n[nH]cc3Br)CCO2)cc1Cl 1663736448 YYBPCQMOBRVEPC-CQSZACIVSA-N 374.641 3.538 0 40 FHAB COc1ccccc1C(=O)NCc1ccc(COCC(F)(F)F)cc1 11483094 RDDNEPBBYDUPJD-UHFFFAOYSA-N 353.340 3.704 0 40 FHAB O=C(c1cc(O)c(OCc2ccccc2)cn1)N1CCc2ccccc2C1 12168257 BHWKTWIVXVTZRX-UHFFFAOYSA-N 360.413 3.565 0 40 FHAB CCOC(=O)C1(Cc2cc(-c3ccccc3F)no2)CCN(CC)CC1 12274955 JXKROTAHGLFJKE-UHFFFAOYSA-N 360.429 3.688 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1 12552811 KUPAOOOQGJYOFM-HNNXBMFYSA-N 374.868 3.891 0 40 FHAB CCCOC(=O)c1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 14665150 SBAZXULDVFZVPL-UHFFFAOYSA-N 366.417 3.633 0 40 FHAB Cc1nccn1CC1(O)CCN(Cc2ccc(Cl)c(Cl)c2)CC1 19287966 ZIASHCAMWMZEDH-UHFFFAOYSA-N 354.281 3.525 0 40 FHAB Cc1ccc(NC(=O)c2nnc3c(-c4ccccc4)cnn3c2C)cc1C 19817060 WCTDPOKQSVKWCH-UHFFFAOYSA-N 357.417 3.969 0 40 FHAB CCN(CC)CCNC(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 6205187 TYRUYOLIZYXEAS-UHFFFAOYSA-N 370.522 3.567 0 40 FHAB Cc1ccc(C)c(NC(=O)CN2CCC(c3nc4ccccc4[nH]3)CC2)c1 4315066 VKEHXHZTNHMYAN-UHFFFAOYSA-N 362.477 3.998 0 40 FHAB O=S1(=O)N=C(SCc2c(F)cccc2Cl)Nc2ccccc21 4329622 QRPFHAUYTANNOK-UHFFFAOYSA-N 356.831 3.883 0 40 FHAB C[C@H]1CC[C@H](C(=O)N2CCC[C@]3(CC2)CN(Cc2ccoc2)CCO3)CC1 2055785547 ZMFJBTFOWRDMRT-VCOUNFBDSA-N 374.525 3.689 0 40 FHAB Cc1cc2ncc(CCCNC(=O)c3cc4cc(F)ccc4s3)cn2n1 206821875 BSFXCABWYNVNQO-UHFFFAOYSA-N 368.437 3.754 0 40 FHAB O=C(c1cccc(-n2cccn2)c1)N1CCC(Oc2ccsc2)CC1 575619565 NGWCEGRTHKBHMB-UHFFFAOYSA-N 353.447 3.617 0 40 FHAB Cc1c(Cl)cccc1S(=O)(=O)NCC[C@@H](CCO)c1cccs1 575608264 RITBEMLEDVTPRF-ZDUSSCGKSA-N 373.927 3.545 0 40 FHAB O=C(OCc1ccncc1)c1cn(-c2ccc(F)cc2)c(=O)c2ccccc12 21360179 GITOUFDTGPKCHW-UHFFFAOYSA-N 374.371 3.882 0 40 FHAB Cc1cc(C)cc(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c1 40090611 OLRASLHGXOKDKQ-UHFFFAOYSA-N 352.434 3.557 0 40 FHAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccccc2Cl)c1 40039656 MGQLBYKRHONGDT-UHFFFAOYSA-N 358.825 3.979 0 40 FHAB COc1cccc(/C=C/C(=O)N2CCOc3ccccc32)c1OC(F)F 30577117 PHTPMJKHTSUSQC-MDZDMXLPSA-N 361.344 3.735 0 40 FHAB Cc1ccc2c(c1)N(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)CO2 10682512 NFHOWRZPAFJZPV-UHFFFAOYSA-N 365.216 3.666 0 40 FHAB O=C(COC(=O)CCC(=O)c1cccs1)Nc1ccc(F)cc1Cl 5787841 FLJMXKWADOBHRA-UHFFFAOYSA-N 369.801 3.685 0 40 FHAB CC(C)N(C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1)C(C)C 1332868 VPUBBZQTLQQBSQ-UHFFFAOYSA-N 358.467 3.955 0 40 FHAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(F)c1 11006870 UDFCHHAGVRQWDZ-UHFFFAOYSA-N 360.816 3.644 0 40 FHAB CCOc1ccccc1/C=C/C(=O)N(C)CC(=O)Nc1ccccc1Cl 8285167 WYLCYQXECBPZLX-OUKQBFOZSA-N 372.852 3.849 0 40 FHAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1 3495710 MWNPYCZSKVKDEJ-MRXNPFEDSA-N 362.882 3.830 0 40 FHAB O=C(Cc1ccc2c(c1)CCC2)NCc1ccc(NC(=O)c2ccco2)cc1 11146242 BBSUIEAQVXPUTB-UHFFFAOYSA-N 374.440 3.880 0 40 FHAB CC(=O)Nc1nc(C)c(-c2csc(Nc3cccc(C(=O)O)c3)n2)s1 4162278 AYSRHUJFCKXTHN-UHFFFAOYSA-N 374.447 3.975 0 40 FHAB CCN(CC)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1 31914653 GTPSZZLGVRFWON-INIZCTEOSA-N 369.465 3.617 0 40 FHAB O=C1CSc2ccc(C(=O)Nc3ccccc3N3CCCC3)cc2N1 6821762 LQZVDDZXQHUBMJ-UHFFFAOYSA-N 353.447 3.583 0 40 FHAB N#C/C(=C/c1cccn1-c1ccc(C(=O)O)cc1)C(=O)NC1CCCCC1 6971156 KMWVFZZVMJGIOA-SSZFMOIBSA-N 363.417 3.531 0 40 FHAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2ccncc2)cc1 7499635 PBDLDNYCHOPCDJ-UHFFFAOYSA-N 369.424 3.809 0 40 FHAB CC(C)c1ccc2c(c1)[C@]1(CC(O)=Nc3c1cnn3C(C)(C)C)C(=O)N2 32072467 GECQRHGYSDMXIM-FQEVSTJZSA-N 352.438 3.991 0 40 FHAB CCOc1cc(CNn2cn[nH]c2=S)ccc1OCc1cccs1 8254771 MTZOVPOVHFVCTQ-UHFFFAOYSA-N 362.480 3.724 0 40 FHAB COc1cc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)ccc1F 8499550 IGEOHHLWDBQZSE-UHFFFAOYSA-N 364.225 3.620 0 40 FHAB CN(C(=O)COC(=O)/C=C/c1ccc(F)cc1)[C@H]1CCCc2ccccc21 8515033 HNXYOYPCPFMJKM-IXDOJHRFSA-N 367.420 3.918 0 40 FHAB COc1ccc(/C=C/C(=O)OC/C=C\c2ccc3c(c2)OCO3)cc1OC 8615841 GWCFZONHXDRLLR-HQGAUJLMSA-N 368.385 3.702 0 40 FHAB CSCC[C@@H](NC(=O)c1ccccc1Cl)c1nnc2ccccn12 20733677 OVHFGHUWWOPNCB-CQSZACIVSA-N 360.870 3.607 0 40 FHAB CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c1 32754249 VXYLUPTWWBJGJN-KRWDZBQOSA-N 372.396 3.594 0 40 FHAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)c1ccc2ccccc2c1 11459123 JKMUMBFKJQAAIL-UHFFFAOYSA-N 357.365 3.721 0 40 FHAB O=C1N[C@H](c2cccc(O)c2)Nc2c1sc(=S)n2-c1ccccc1 59459455 QFRRFPSAFIBWER-CQSZACIVSA-N 355.444 3.828 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1N[C@@H](C)C(=O)Nc1ccnn1C(C)C 32900809 SQJAVLQKLBCIGN-HNNXBMFYSA-N 366.469 3.706 0 40 FHAB Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(F)cc3)nn12 59294507 DAFGJRDQYIRNOJ-UHFFFAOYSA-N 353.382 3.553 0 40 FHAB CSC[C@H](C)N(C)Cc1nc(C(C)C)cc(N(C)[C@H](C)CSC)n1 107364098 SFZDKWXQLFPNND-LSDHHAIUSA-N 370.632 3.971 0 40 FHAB Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H](C)C2)cc1Cl 54363154 ALZVUFHKKPKNOI-VIFPVBQESA-N 366.708 3.832 0 40 FHAB Fc1cnc(Nc2ccc3c(c2)OCO3)nc1Nc1ccc2c(c1)OCO2 792489 KTHIFBNWRJRCBQ-UHFFFAOYSA-N 368.324 3.560 0 40 FHAB CCC[C@@H](c1nnnn1C(C)(C)C)N1CCN(c2cc(C)ccc2C)CC1 57669671 MOGZKOFSCMJTOA-SFHVURJKSA-N 370.545 3.708 0 40 FHAB CC1(C)Cc2nc3sc4c(NC[C@H]5CCCO5)ncnc4c3cc2CO1 779507 DLEZNVBWTIVYFT-GFCCVEGCSA-N 370.478 3.682 0 40 FHAB COC(=O)/C(=C/Nc1ccccc1)S(=O)(=O)c1ccc(C(C)C)cc1 100025886 DKUSCCITYTZKCF-AQTBWJFISA-N 359.447 3.710 0 40 FHAB COc1cc(C(=O)Oc2cccc3ccc(C)nc23)cc(OC)c1OC 841199 GQEXRLFTYMWIOP-UHFFFAOYSA-N 353.374 3.788 0 40 FHAB CC1(C)C[C@]2(C[C@@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 894206 KKICBWUQDFVRIQ-OALUTQOASA-N 372.446 3.761 0 40 FHAB COc1cccc(C(=O)N2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)c1O 174697541 SKGREVAPICAIJH-DNVCBOLYSA-N 355.434 3.620 0 40 FHAB COC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3cccc(C)c3)coc2c1 942496 BTHRVMFXONRUBV-ZDUSSCGKSA-N 354.358 3.834 0 40 FHAB biogenic COc1ccc(NCC(=O)Nc2ncc(Cc3ccccc3)s2)cc1 2887824 XBXRUFWSIJIHOR-UHFFFAOYSA-N 353.447 3.793 0 40 FHAB O=C(NC(c1ccccc1)c1ccccc1)c1nc(-c2ccccn2)no1 12391911 DNCQIPNXJYKEEK-UHFFFAOYSA-N 356.385 3.651 0 40 FHAB CC(C)c1c(C(=O)Nc2cccn(C)c2=O)cnn1-c1cccc(Cl)c1 114103943 KKTNZWXZMZPAMP-UHFFFAOYSA-N 370.840 3.600 0 40 FHAB CCCC(=O)N1CCC(C(=O)Nc2cccc(-n3cc[nH]c3=S)c2)CC1 56113736 LCVREDFDLUNCKJ-UHFFFAOYSA-N 372.494 3.512 0 40 FHAB COc1ccc2[nH]cc(/C=C3/CC(=O)N(c4ccc(C(C)=O)cc4)C3=O)c2c1 61721358 BQGGTSCNOHGNBK-DHDCSXOGSA-N 374.396 3.726 0 40 FHAB C[C@@H]1CCc2ccccc2N1CC(=O)Nc1cc2c(cc1Cl)OCO2 12526990 MTRWMWFGAXRCSS-GFCCVEGCSA-N 358.825 3.849 0 40 FHAB CN(C(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1)c1ccccc1 3254370 XKZHISNGMWOZKR-UHFFFAOYSA-N 359.809 3.509 0 40 FHAB CC1CCN(C(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)CC1 3234764 BJWXGNRPSZBWBJ-UHFFFAOYSA-N 366.461 3.529 0 40 FHAB CCOc1ccccc1CNC(=O)COc1cccc(C(F)(F)F)c1 64762319 CVAVURRNKJFTFE-UHFFFAOYSA-N 353.340 3.799 0 40 FHAB CCc1nnc(NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)s1 3332431 NILJHRNYYDGKGG-UHFFFAOYSA-N 369.446 3.940 0 40 FHAB COc1cccc(NC(=O)[C@H](C)n2c(-c3cccs3)n[nH]c2=S)c1 58365501 YOKXKSNNGJSAOF-JTQLQIEISA-N 360.464 3.877 0 40 FHAB Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)nc1 10429907 BCLFOXKZHBNREL-UHFFFAOYSA-N 350.397 3.846 0 40 FHAB CCOC(=O)c1c(NCc2ccccc2Cl)c2ccccc2[nH]c1=O 2266386 WSXOPDAZRDJAOV-UHFFFAOYSA-N 356.809 3.970 0 40 FHAB CCn1c(S[C@H](C)C(=O)Nc2cccc(F)c2)nc2ccccc2c1=O 12777047 MLOABPPBPDLGOR-GFCCVEGCSA-N 371.437 3.675 0 40 FHAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1cccc(-c2cnco2)c1 48205194 DYXLIQKQNBVMST-KRWDZBQOSA-N 369.446 3.796 0 40 FHAB CC(C)(C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1)c1ccccc1 48374926 VKWWGCIDDOWWQN-UHFFFAOYSA-N 374.487 3.616 0 40 FHAB CCc1ccc(Cl)c(CC)c1NC(=O)N1CCN(C(=O)C2CC2)CC1 48341612 KQJPPPSOSYLBMG-UHFFFAOYSA-N 363.889 3.551 0 40 FHAB CCc1ccc(CNC(=O)c2n[nH]nc2Nc2ccc(Cl)cc2)cc1 67283613 AASXMRVXMNEWAE-UHFFFAOYSA-N 355.829 3.694 0 40 FHAB O=C(Cn1c(=O)cnc2ccccc21)N(C1CCCCC1)C1CCCCC1 12985798 RQQDEKLTXOWXTB-UHFFFAOYSA-N 367.493 3.891 0 40 FHAB CC(C)c1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 12987276 SUNWCDYIVNRMAN-UHFFFAOYSA-N 352.478 3.572 0 40 FHAB O=S(=O)(N[C@H]1CCSc2ccc(F)cc21)c1cccc(Cl)c1 15359942 XXCCXTGNOZWYKM-AWEZNQCLSA-N 357.859 3.995 0 40 FHAB CC[C@@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccc(OC)cc1 3895921 CJDGUAJAZWPYEA-LEPAWZOPSA-N 360.498 3.991 0 40 FHAB Cc1ccc(S(=O)(=O)Cc2nc(-c3ccc(C(=O)O)cc3)oc2C)cc1 49454363 GDGJUQUFFDCUBS-UHFFFAOYSA-N 371.414 3.631 0 40 FHAB CCn1c(-c2ccc(Cl)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 6083846 YHROYJVCWCKCGJ-UHFFFAOYSA-N 363.870 3.627 0 40 FHAB Cc1cc(NC(=O)[C@H](C)Sc2ncnc3c2oc2ccccc23)no1 8258033 KOEZXLVPKWMKOH-JTQLQIEISA-N 354.391 3.792 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cc3c(cc2C)OCCCO3)cc1 65315016 FBBRQVIWUFCICD-UHFFFAOYSA-N 355.390 3.585 0 40 FHAB CCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nc2ccccc2c1=O 5213689 LYLRLMZJNLVDOY-ZDUSSCGKSA-N 353.447 3.536 0 40 FHAB CC(C)c1nc(CC(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)cs1 65593627 MUXGAJCMACPNBN-AWEZNQCLSA-N 366.870 3.795 0 40 FHAB COc1ccc(-c2cc(C(=O)N3CCO[C@@H](C)C3)c3ccccc3n2)cc1 14139435 XFFBKFNUXGYFQH-HNNXBMFYSA-N 362.429 3.771 0 40 FHAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCN(Cc2ccco2)CC1 14247784 FWYMOLPVXIKHBY-UHFFFAOYSA-N 360.457 3.834 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)CSc2nc3cc(C)ccc3[nH]2)c1C 6619195 JKEKZMZAPLKCGP-UHFFFAOYSA-N 357.435 3.578 0 40 FHAB COc1cccc([C@H](CO)NC(=O)c2cccc(Oc3ccccc3)c2)c1 92194151 AHRFLCPIOXIYJN-NRFANRHFSA-N 363.413 3.951 0 40 FHAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(Br)s1 18155959 RHHZWAPEXJXCOT-UHFFFAOYSA-N 354.225 3.512 0 40 FHAB COc1ccc(CSc2nnc(C3CC3)n2Cc2ccccc2)cn1 75094301 MPROXIMPRBDSBW-UHFFFAOYSA-N 352.463 3.900 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2 8913902 FXFPRPCBOJEGBQ-OAHLLOKOSA-N 365.364 3.523 0 40 FHAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)[C@@H]1COc2ccccc2O1 9048147 MPERXIXVYZLSAI-HKUYNNGSSA-N 369.417 3.933 0 40 FHAB COc1ccc(Nc2nc(NCCc3ccccc3)nc3c2cnn3C)cc1 9273285 ICIPJUIOUFEWNO-UHFFFAOYSA-N 374.448 3.770 0 40 FHAB CC(=O)c1oc2ccccc2c1NC(=O)COC(=O)c1sc(C)nc1C 9451541 HEJXRHOLDITJOA-UHFFFAOYSA-N 372.402 3.504 0 40 FHAB C[C@@H](NC(=O)N1CCOC[C@H]1C1CC1)c1nc(-c2ccccc2)cs1 89897061 ROQVKMDKNIEHEM-DYVFJYSZSA-N 357.479 3.692 0 40 FHAB O=C(CN1CCC[C@]2(CC=CCC2)C1)N1CCc2[nH]c3ccccc3c2C1 72284965 IGPFEVQMGNKOIX-HSZRJFAPSA-N 363.505 3.875 0 40 FHAB CC[C@@H](C)[C@@H](NC(=O)c1ccc(-n2ccnn2)cc1)c1nc2ccccc2[nH]1 89942224 VCBIFZYMRPESQV-AUUYWEPGSA-N 374.448 3.661 0 40 FHAB O=C(CCc1ccccc1OC(F)(F)F)N[C@H]1CCCCC[C@H]1CO 95426726 MYVASNYXCCYSOK-GJZGRUSLSA-N 359.388 3.575 0 40 FHAB CCc1ccc(-c2noc(CN3CCC(c4cc(C)[nH]n4)CC3)n2)cc1 95459836 PILBHSVZICQBGO-UHFFFAOYSA-N 351.454 3.710 0 40 FHAB C[C@@H]1CN(C(=O)NCCc2csc(-c3ccccc3)n2)CC(C)(C)O1 175662014 OBUSPBHQKTVGGS-CQSZACIVSA-N 359.495 3.562 0 40 FHAB COc1ccc2nc(S[C@H](C)C(=O)c3c[nH]c4ncccc34)[nH]c2c1 502306824 RYOWRBWTFZDECF-SNVBAGLBSA-N 352.419 3.811 0 40 FHAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(OC)ccc3OC)S2)cc1 408787328 XTCXAMDKXDWMJH-JKALPCAWSA-N 370.474 3.866 0 40 FHAB CCOC(=O)c1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1 408730850 JJTPTSPNPUGYST-WJDWOHSUSA-N 355.777 3.861 0 40 FHAB Fc1ccc(CCNc2ncc(-c3cnccn3)c(-c3ccco3)n2)cc1 72338688 VMFFPLFVLYKDPI-UHFFFAOYSA-N 361.380 3.987 0 40 FHAB CC[C@H](NCCCn1c(O)nc2ccccc21)c1ccc2c(c1)OCCO2 538174803 HOANHOMWTKZDPN-INIZCTEOSA-N 367.449 3.644 0 40 FHAB O=C(C[C@H]1CC(=O)Nc2ccccc21)Nc1ccc(Nc2ncccn2)cc1 1568418183 XMAYKUYXVAFMGE-AWEZNQCLSA-N 373.416 3.675 0 40 FHAB O=C(c1ccncc1)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 72358717 DAJBQWLKNOMYIN-QGZVFWFLSA-N 362.408 3.698 0 40 FHAB Cc1n[nH]cc1C(=O)N1CCC[C@@H]1c1cccc(Cc2ccc(F)cc2)n1 72358048 IYRJZPBRPNQTRY-HXUWFJFHSA-N 364.424 3.820 0 40 FHAB COc1ccccc1CNC(=O)C1CCN(Cc2ccccc2C)CC1 39773376 ZSLUHLDDKMBCKV-UHFFFAOYSA-N 352.478 3.532 0 40 FHAB CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2cccnc2N2CCCC2)CCO1 180058419 GILMPSXIQMGIDK-AEFFLSMTSA-N 360.502 3.787 0 40 FHAB O=C(Nc1nccs1)c1cnn(-c2ccccc2F)c1-n1cccc1 32033670 QYKLLCPRJRQVHQ-UHFFFAOYSA-N 353.382 3.511 0 40 FHAB C[C@H]1[C@@H](C(=O)O)CCN1Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 565109251 DKDGEKWUUUDSNV-HZMBPMFUSA-N 354.328 3.655 0 40 FHAB Fc1cccc(CN2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)c1F 72389998 ARSJRGNFGPCZRP-OAHLLOKOSA-N 356.376 3.789 0 40 FHAB COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN(C3CCCC3)C2)cc1 72345882 UTLFRDUQTJDYNQ-MRXNPFEDSA-N 352.482 3.856 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)COc2ccccc2)c1 225783530 OODRETCECOFOJM-HNNXBMFYSA-N 372.490 3.926 0 40 FHAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1cc(C)ccn1)CC(C)(C)O2 225684707 SRZNZRZJDICOQF-HNNXBMFYSA-N 357.479 3.987 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)c1 223491467 KWRZOYWZRXQPSJ-HZPDHXFCSA-N 357.450 3.965 0 40 FHAB CCOc1ccc(NC(=S)NCc2ccc(-n3ccnc3)cc2)cc1 225452895 QAWJZOOOHVBFOA-UHFFFAOYSA-N 352.463 3.758 0 40 FHAB O=C(CN1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)c1ccccc1 49377787 ZUHRMXYBUWVELG-UHFFFAOYSA-N 365.408 3.938 0 40 FHAB O=C(O)c1ccc(F)c(S(=O)(=O)Nc2cccc(Cl)c2Cl)c1 223367894 UUUKVJXNOMAZGO-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB Cc1ccc(CN2CCC3(CC2)CCN(Cc2cnn(C)c2)CC3)cc1 96047257 XQBAJYRDWKRFDA-UHFFFAOYSA-N 352.526 3.607 0 40 FHAB CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NC3CCCC3)CC2)cc1 243732409 PUGLPHKEIUWGDX-UHFFFAOYSA-N 356.510 3.895 0 40 FHAB CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)ccc1O 260774952 OIWNYCZLOPZXEH-OCBCSQNSSA-N 355.463 3.775 0 40 FHAB COc1ccc(-c2cc3ncnc(N(C)C4CCNCC4)c3s2)cc1 1151234750 UTJLABVLIANVQN-UHFFFAOYSA-N 354.479 3.555 0 40 FHAB COc1cccc(CNCCOc2ccc3c(c2)CCC3)c1OC(F)F 1322601032 PIOYAQBCSHWHJY-UHFFFAOYSA-N 363.404 3.954 0 40 FHAB C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)Nc2ccccc2)C1=O 651978249 MMXDPPISTAHJLH-KSSFIOAISA-N 355.413 3.699 0 40 FHAB O=C(CSCc1ccccc1)NCc1nccnc1-c1ccsc1 575620685 VKHXOYHZMBGCLU-UHFFFAOYSA-N 355.488 3.755 0 40 FHAB Cc1cccc(CN2CCC3(CCN(C(=O)c4cccs4)CC3)C2=O)c1 585099755 IEEDAOJOTUNGGO-UHFFFAOYSA-N 368.502 3.711 0 40 FHAB Cn1nccc1[C@@H]1OCCC[C@H]1CN[C@H](c1ncc[nH]1)C1CCCCC1 658270460 TYOAHUXIFNHDJG-YTQUADARSA-N 357.502 3.522 0 40 FHAB FC(F)(F)c1cnc([C@H]2CCCN(c3ncnc4ccsc34)C2)[nH]1 581899689 ZPYPHNULCNGLEM-VIFPVBQESA-N 353.373 3.817 0 40 FHAB O=C(Oc1cccc(F)c1F)c1ccc(I)cc1 16158212 HVBNYJIOFIEAJZ-UHFFFAOYSA-N 360.097 3.789 0 40 FHAB CSc1nnc(CCNC(=O)c2ccc(C(F)(F)F)cc2)n1C(C)C 5001794 OVONVIFFRAFIGA-UHFFFAOYSA-N 372.416 3.572 0 40 FHAB CCOC(=O)c1ccc(NC(=O)CCCOc2ccc(OC)cc2)cc1 5636858 XSIVBOFWGWVNJI-UHFFFAOYSA-N 357.406 3.670 0 40 FHAB O=C(CSc1nnnn1C1CCCC1)Nc1cc(Cl)cc(Cl)c1 12819659 RMAMHZNTABCVIR-UHFFFAOYSA-N 372.281 3.826 0 40 FHAB Cc1cc(C)nc(-n2[nH]c3nccc(-c4cccc5ccccc45)c3c2=O)n1 14163888 XTENKUYCDQFBCJ-UHFFFAOYSA-N 367.412 3.941 0 40 FHAB COc1ccc(/C=C2\N=C(c3ccccc3)N(c3nccs3)C2=O)cc1 1099749 GYGWFMYZVWRKSS-LGMDPLHJSA-N 361.426 3.986 0 40 FHAB CCn1cnnc1-c1cccc(NC(=O)c2ccc(Br)cc2)c1 24582284 NVIFCQJBCPXADQ-UHFFFAOYSA-N 371.238 3.980 0 40 FHAB O=S(=O)(c1ccccc1)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 5008143 ZRTKHHRVJUZODF-PCCBWWKXSA-N 371.502 3.528 0 40 FHAB CC(C)CN1C(=O)CCc2cc(NC(=O)Cc3ccc(F)cc3)ccc21 9137580 JGSADNMDDRDABK-UHFFFAOYSA-N 354.425 3.942 0 40 FHAB CCc1nc2sc([C@H](c3cccc(C)c3)N3CCCCC3)c(O)n2n1 22853073 SZIWCHIMSLAPEQ-INIZCTEOSA-N 356.495 3.943 0 40 FHAB O=C(NC[C@@H](c1cccs1)n1cccn1)c1cc(-c2ccccc2)on1 575613762 LAIPNVYESQTGJI-INIZCTEOSA-N 364.430 3.619 0 40 FHAB COc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1 1379609 VFYNYAHOYGVQFF-MRXNPFEDSA-N 373.840 3.984 0 40 FHAB CC(C)[C@H](NC(=O)[C@@H](C)Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O 1652117 NGWNHPCBHQIISN-KRTXAFLBSA-N 368.644 3.640 0 40 FHAB Cc1cc(NC(=O)[C@H](C)OC(=O)Cc2ccc(-c3ccccc3)cc2)on1 10999189 UGKVAWFJIDCDRO-HNNXBMFYSA-N 364.401 3.763 0 40 FHAB COc1cc(C=O)ccc1OCCCCCOc1ccc(C=O)cc1OC 31773459 CGKUSGWIASGVMF-UHFFFAOYSA-N 372.417 3.957 0 40 FHAB CCOC(=O)CSc1nnc(-c2ccoc2C)n1-c1cccc(C)c1 4852397 VKODBQXLWBSWAR-UHFFFAOYSA-N 357.435 3.799 0 40 FHAB CCCC(=O)N1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)ccc1OC 6263766 IANYHQRAMXZNHN-JRGCBEDISA-N 361.482 3.699 0 40 FHAB biogenic CC(C)c1ccc2nc(-c3ccccn3)cc(C(=O)N3CCOCC3)c2c1 32070216 YPOOLQLVUNBPNM-UHFFFAOYSA-N 361.445 3.893 0 40 FHAB CCCCNC(=O)CSc1nc2ccccc2c(=O)n1C1CCCCC1 6532236 HYJXVOGOBBZGDR-UHFFFAOYSA-N 373.522 3.910 0 40 FHAB CCCCOC(=O)CN1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O 6650204 OQNYQTYWPLUZAV-OQLLNIDSSA-N 358.419 3.548 0 40 FHAB Cc1nnc(S/C(=C\c2ccc(C)c(Br)c2)C(=O)O)o1 7603564 QENWRMVPTPTWQI-WDZFZDKYSA-N 355.213 3.667 0 40 FHAB CCOc1ccc([C@@H]2C[C@H](c3cccc(OC)c3)n3ncnc3N2)cc1 2409510 APALPPPIBSPXIW-RBUKOAKNSA-N 350.422 3.832 0 40 FHAB COc1cccc([C@H]2CC(=O)Nc3n[nH]cc32)c1OCc1cccc(F)c1 20745186 KGZVRVVCEKKNMR-OAHLLOKOSA-N 367.380 3.611 0 40 FHAB Cc1cccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(C)ccc2C)c1 8413104 WRHANLMFQNATJB-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB C[C@@H](NC(=O)CSCc1nc(-c2ccccc2)no1)c1ccccc1 32778896 RPYITRQUULZRQA-CQSZACIVSA-N 353.447 3.847 0 40 FHAB Cc1cccc(C(=O)c2cccc(CN3CCC4(CC3)OCCO4)c2)c1 2515215 XAGRKENSSOORFE-UHFFFAOYSA-N 351.446 3.565 0 40 FHAB NC(=O)Nc1cccc(NC(=O)c2ccccc2C(=O)c2ccccc2)c1 29154531 VDGMXGKUNCDUDK-UHFFFAOYSA-N 359.385 3.661 0 40 FHAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)Cc2c[nH]c3ccccc23)C1 102333439 OXVGDWYIFGTFBI-KSFYIVLOSA-N 368.477 3.681 0 40 FHAB Cn1ccs/c1=N/C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 103038633 VMALJDYPAKWJFR-MHWRWJLKSA-N 357.049 3.836 0 40 FHAB Cc1cc(C)c([C@@H]2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)c(C)c1 8856468 XKIAYCOTHLQRFY-INIZCTEOSA-N 359.429 3.836 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 9050625 UXWOKOVVNCVDDT-KRWDZBQOSA-N 366.461 3.640 0 40 FHAB CSc1cccc(N2C[C@@H](C(=O)N3c4ccccc4C[C@H]3C)CC2=O)c1 32975227 BNAVEGDWCGYKML-ZBFHGGJFSA-N 366.486 3.739 0 40 FHAB CCOC(=O)NC(Nc1cccnc1Cl)(C(F)(F)F)C(F)(F)F 2566662 GABMOUBHCIIMPE-UHFFFAOYSA-N 365.661 3.714 0 40 FHAB O=C1N(Cc2ccncc2)CCCC12CCN(C[C@H]1CC=CCC1)CC2 108527985 RPKSMPGARQIXJB-IBGZPJMESA-N 353.510 3.643 0 40 FHAB CCCCC(=O)/N=c1\sc2cc(Br)ccc2n1CCOC 100872559 BOBHNIZGZCDXPQ-ICFOKQHNSA-N 371.300 3.729 0 40 FHAB O=C(NCCN1CCCC1)c1ccccc1OCc1ccc(Cl)cc1 7989744 SVMLANASKJAVFL-UHFFFAOYSA-N 358.869 3.745 0 40 FHAB CCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N2C1=S 2797515 LEILCFKTZPRPLW-IEBWSBKVSA-N 361.470 3.631 0 40 FHAB biogenic Cc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccccn3)no2)cn1 22464381 NDRPTCXOMWPLRD-UHFFFAOYSA-N 357.373 3.754 0 40 FHAB CC(C)(C)NC(=O)CSc1nnc2c(n1)-c1cccc3cccc-2c13 755361 SEWOIBSXKZEYAA-UHFFFAOYSA-N 350.447 3.679 0 40 FHAB O=C(Nc1ccc(N2CCOCC2)nc1)c1sccc1-c1ccccc1 22995303 ZPBZXJYABKDEFJ-UHFFFAOYSA-N 365.458 3.899 0 40 FHAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)C3CC3)CC2)on1 100743588 CNZCQFUVKCFVPH-GASCZTMLSA-N 354.454 3.548 0 40 FHAB O=C(NC1CCC(O)CC1)N1CCC[C@H]1Cc1cccc2ccccc12 60798298 OZBQXTHYDLNWJL-GPJFCIFZSA-N 352.478 3.860 0 40 FHAB COc1cccc(Cc2cnc(NC(=O)CCc3cccnc3)s2)c1 23489596 GUOZIRSQWARJFX-UHFFFAOYSA-N 353.447 3.709 0 40 FHAB CCC[C@H](c1nnnn1C(C)(C)CC)N1CCN(c2ccccc2F)CC1 57669867 SVKAQYVXKWBOLA-GOSISDBHSA-N 374.508 3.621 0 40 FHAB Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N1CCC(CO)CC1 54839778 MFQHKOCSOKHNPH-CQSZACIVSA-N 359.495 3.593 0 40 FHAB O=C1CCCN1Cc1ccc(-c2ccccc2CNc2ncccn2)cc1 25044288 MGSWQNKRDQSDHW-UHFFFAOYSA-N 358.445 3.878 0 40 FHAB Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN(Cc1ccccn1)CO2 57120646 BECGBSILJOXELZ-UHFFFAOYSA-N 362.429 3.727 0 40 FHAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCCc2ccccc21 58029096 WFVLAIWJBGGWEE-LJQANCHMSA-N 351.450 3.812 0 40 FHAB COc1ccc(C(=O)c2ccccc2)c(OCC(=O)N2CCCCCC2)c1 8131159 KNRMYKSNNQAOBW-UHFFFAOYSA-N 367.445 3.708 0 40 FHAB COc1ccccc1NC(=O)[C@@H](C)n1c(-c2cccs2)n[nH]c1=S 69350379 GXMYJUHAIDAIHJ-SNVBAGLBSA-N 360.464 3.877 0 40 FHAB CSc1ccc(Cl)c(C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)c1 3289706 WCPPMXNMIUNZOP-ABAIWWIYSA-N 355.887 3.914 0 40 FHAB CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(NC(C)=O)cc1 3260036 IMYUBNVTYJUEPN-UHFFFAOYSA-N 368.433 3.565 0 40 FHAB CCCC[C@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1 2183317 LSJIBWVCAQDESU-IBGZPJMESA-N 364.445 3.720 0 40 FHAB CC(C)CCNC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 12601715 BEFZXPYZQHWFLO-ZDUSSCGKSA-N 360.401 3.671 0 40 FHAB COc1ccc(C(C)=O)cc1Cn1cc(C(F)(F)F)cc(Cl)c1=O 3349613 HVFBSXOSXNTHFR-UHFFFAOYSA-N 359.731 3.780 0 40 FHAB Cc1nc(-c2cccc(NC(=O)[C@H](C)OC[C@H]3CCCCO3)c2)oc1C 69357500 UQNWLMIOXAWPIP-MAUKXSAKSA-N 358.438 3.871 0 40 FHAB Cc1c(C(=O)OCC(=O)NCCc2ccc(F)cc2)sc2ccccc12 12891109 XVAUSABBRYLXMI-UHFFFAOYSA-N 371.433 3.865 0 40 FHAB O=C(N[C@H]1CCOc2ccccc21)[C@@H]1CCCN(Cc2cccc(F)c2)C1 58423468 LHSJRDOYLDHFDF-XLIONFOSSA-N 368.452 3.678 0 40 FHAB COc1ccc2[nH]cc(CCn3ccc(O)c(Cc4ccccc4)c3=O)c2c1 12952792 QLTPGJLXIZLAOB-UHFFFAOYSA-N 374.440 3.877 0 40 FHAB O=C(COC(=O)Cc1cccc2ccccc12)Nc1ccc(F)cc1F 3508267 QTARRHMEFUKXBL-UHFFFAOYSA-N 355.340 3.842 0 40 FHAB O=C1c2ccccc2N[C@H](C2=Cc3ccccc3OC2)N1C[C@H]1CCCO1 8710981 NUFDSZBVNZZHNU-UTKZUKDTSA-N 362.429 3.535 0 40 FHAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)c1ccc2c(c1)OCCO2 4184458 VEQWCFVDVCGXTJ-UHFFFAOYSA-N 372.377 3.622 0 40 FHAB COc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccccc3)n2C)cc1 6140262 BZAHNSJMZYDSAB-ZDUSSCGKSA-N 353.447 3.854 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 4385198 YBOKBRAOYKBGBK-MRXNPFEDSA-N 352.434 3.694 0 40 FHAB C[C@H](Sc1nc2cc(Cl)cnc2[nH]1)C(=O)NCC1CCCCC1 5310054 VKEZSVBKBXZNRY-JTQLQIEISA-N 352.891 3.788 0 40 FHAB O=C(CCNC(=O)c1ccccc1Cl)N[C@H]1CCCc2ccccc21 5442993 NCKRAOUADNJCIZ-SFHVURJKSA-N 356.853 3.654 0 40 FHAB CCOc1ccccc1-c1nn2c(-c3ccccc3OC)nnc2s1 4664918 IDBIUPALWQMSJW-UHFFFAOYSA-N 352.419 3.927 0 40 FHAB Cc1noc(C)c1CC(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 6657954 VYCSBAWRAYSHSQ-HXUWFJFHSA-N 374.444 3.810 0 40 FHAB COc1ccc(C(=O)Nc2cc3c(cc2C(=O)C(C)C)OCCO3)cc1 4772652 JULHDELCNUWZAM-UHFFFAOYSA-N 355.390 3.557 0 40 FHAB COc1cccc(OCc2nn3c(-c4cccc(C)c4)nnc3s2)c1 4938708 PGEXFQBEODHKAQ-UHFFFAOYSA-N 352.419 3.749 0 40 FHAB COc1c(C)cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc1C 409037184 XWJIEBLXHNGBKN-ATVHPVEESA-N 352.459 3.916 0 40 FHAB Cc1cc(C)cc(OCCN2C(=O)N[C@]3(CCCc4sccc43)C2=O)c1 7090254 YHNCLLNXJMPDFX-FQEVSTJZSA-N 370.474 3.527 0 40 FHAB Clc1cc(CSc2nnnn2-c2ccccc2)cc2c1OCCCO2 7339935 JKGBCAHYXPLJDF-UHFFFAOYSA-N 374.853 3.769 0 40 FHAB C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(C/C=C/c2ccccc2)C1=O 8936596 USCHJIRKDCEHDD-MUPIXQSSSA-N 372.371 3.768 0 40 FHAB COc1ccc(-c2[nH]ncc2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC 71116080 SXTZFBYAAYYCQF-LBPRGKRZSA-N 369.396 3.724 0 40 FHAB Cn1cccc1C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 9118080 IBSDHCAQYMVWCG-UHFFFAOYSA-N 364.430 3.841 0 40 FHAB Cc1ccccc1OCCOC(=O)C(O)(c1ccccc1)c1ccccc1 9180040 JJEAMBSZKZIAAP-UHFFFAOYSA-N 362.425 3.853 0 40 FHAB CC(=O)OCCCc1cccc(NC(=O)c2c(F)cc(F)cc2F)c1 96012049 QCWDGLPHTYFJKM-UHFFFAOYSA-N 351.324 3.852 0 40 FHAB COc1cccc(-n2c(C)c(C)c3c2ncn2nc(-c4cccnc4)nc32)c1 9421869 KVCSRRXRWUEPPC-UHFFFAOYSA-N 370.416 3.756 0 40 FHAB O=C(NCc1cc2ccccc2[nH]1)c1ccc(Cl)cc1N1CCCC1=O 71844172 WUWJKBLKQMKTLA-UHFFFAOYSA-N 367.836 3.878 0 40 FHAB CCN(CC)CCNCc1cccc(OC)c1OCc1ccccc1F 22075315 VVSGBLVEVPOMCK-UHFFFAOYSA-N 360.473 3.845 0 40 FHAB CO[C@H](C(=O)OCc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1 83897652 JHPNDSMWRZGWDY-KRWDZBQOSA-N 362.809 3.932 0 40 FHAB NC(=O)c1ccsc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12 9616668 VKUJSIUQAXYJFQ-UHFFFAOYSA-N 374.425 3.710 0 40 FHAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1noc(C(C)(C)C)n1 72288681 XQNLOGOODAHEKY-CYBMUJFWSA-N 359.470 3.748 0 40 FHAB O=C(Nc1ccnc(Cc2ccccc2)n1)c1ccn(-c2cccc(F)c2)n1 89840364 PWGZSFPBILKYKZ-UHFFFAOYSA-N 373.391 3.645 0 40 FHAB O=C1N/C(=C\c2cc(Cl)c(O)c(Cl)c2)C(=O)N1C1CCCCC1 409083270 UXNIKKYCLNYMIL-JYRVWZFOSA-N 355.221 3.924 0 40 FHAB CCN(CC)[C@H](CNC(=O)c1ccccc1Br)CC(C)C 75572432 LFNDBJMPNMWSKM-AWEZNQCLSA-N 355.320 3.935 0 40 FHAB COc1cccc(-c2cc(C(=O)NCc3ccc(OC(C)C)cc3)n[nH]2)c1 72328239 NQFSRCRFMJYKRQ-UHFFFAOYSA-N 365.433 3.803 0 40 FHAB O=C(O)c1ccc([C@H]2CC(O)=Nc3c2cnn3Cc2cccs2)cc1 72402777 CEEUDBKZJOPABY-CQSZACIVSA-N 353.403 3.815 0 40 FHAB CCOCc1ccccc1NC(=O)c1nc(N2CCCC2)ncc1Cl 84802800 RPCWFRZSPFJTHM-UHFFFAOYSA-N 360.845 3.519 0 40 FHAB CCOc1ccc(CCC2CCN(C(=O)Cc3cccnc3)CC2)cc1 95955973 WNDDUBXKACGYGK-UHFFFAOYSA-N 352.478 3.894 0 40 FHAB O=C(c1ccc(F)c(Cl)c1F)N1CCN(c2ccc(F)cc2)CC1 95992963 CTWWLIILCPIEAA-UHFFFAOYSA-N 354.759 3.720 0 40 FHAB Cc1cc(NC(=O)COc2ccc3c(c2)CCC3)n(Cc2ccccc2)n1 28244124 ZXUBBXVXFXZLRE-UHFFFAOYSA-N 361.445 3.746 0 40 FHAB COC(=O)Nc1cc(NC(=O)NC(C)(C)c2ncc(C)s2)ccc1F 79801834 OERJCMJEMQSYBE-UHFFFAOYSA-N 366.418 3.826 0 40 FHAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c(C)n1 127727384 PLHWRBZUKNSGRC-UHFFFAOYSA-N 360.841 3.739 0 40 FHAB O=C(NCc1ccccc1Cn1ccnc1)c1cc(F)c(F)cc1Cl 32859992 OZJFTEJYPANMQO-UHFFFAOYSA-N 361.779 3.793 0 40 FHAB CCOC(=O)CCC(=O)Nc1nc(-c2c(F)cc(F)cc2F)c(C)s1 504751485 UWCYAZIXXJFVOA-UHFFFAOYSA-N 372.368 3.818 0 40 FHAB CCOCCCNC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38856822 FYFPKQMFMVXYKB-AWEZNQCLSA-N 373.324 3.748 0 40 FHAB Cc1ccc(NC(=O)CNC(=O)Cc2coc3cc(C)c(C)cc23)cc1 72427616 MCKRPTWVPKXNNI-UHFFFAOYSA-N 350.418 3.655 0 40 FHAB COC(=O)c1c(C)[nH]c(-c2ccsc2)c1[C@H]1C(=O)Nc2ccccc21 32095953 FQRDPUJSDSLGQR-HNNXBMFYSA-N 352.415 3.922 0 40 FHAB CCc1sc(-n2cccc2)nc1C(=O)Nc1ccc2nc(C)[nH]c2c1 1565524319 IWXMTZMYFSMCLZ-UHFFFAOYSA-N 351.435 3.933 0 40 FHAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)NC1CCOCC1 79641227 ZBYSURGTWZSYSO-UHFFFAOYSA-N 357.376 3.606 0 40 FHAB c1ccc2c(c1)OC[C@@H](c1nnc(-c3cnc4onc(C5CC5)c4c3)o1)O2 72274991 JSRHBCFWZPMPNY-HNNXBMFYSA-N 362.345 3.663 0 40 FHAB O=C(O)c1ccc(CN2CCC(OC[C@H]3CCCCO3)CC2)cc1Cl 565106862 RCNZEWVVRVWHEZ-MRXNPFEDSA-N 367.873 3.588 0 40 FHAB COCC(=O)NC[C@@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 40108208 AHGMXDDDIJJZOT-IBGZPJMESA-N 372.534 3.734 0 40 FHAB COc1ccc(SCC(=O)N[C@H]2CCCc3ccccc32)cc1OC 44848628 DAPAZRUGMHMMAA-KRWDZBQOSA-N 357.475 3.990 0 40 FHAB CC[C@H](NC(=O)Cc1ccc(OC)c(C)c1)c1ccc(OC)c(OC)c1 223139245 XZZPNDSEOREAKJ-KRWDZBQOSA-N 357.450 3.831 0 40 FHAB O=C(Cc1ccccc1Cl)NCC1CCN(Cc2ccsc2)CC1 43971731 HPPOYNADJXEEMA-UHFFFAOYSA-N 362.926 3.972 0 40 FHAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 223239007 BFKJWHRZRDGODH-QGZVFWFLSA-N 370.468 3.702 0 40 FHAB CCCOc1ccc(NC(=O)[C@@](C)(CCC)OC)cc1C(=O)OCC 225796477 MOVMSVOMFFTARN-LJQANCHMSA-N 351.443 3.796 0 40 FHAB Cn1nccc1C1CCN([C@H](C(=O)O)c2ccc(Cl)c(Cl)c2)CC1 573927356 LBLAVYDUPXGKQX-INIZCTEOSA-N 368.264 3.732 0 40 FHAB C[C@H]1CN(Cc2ccc(C(=O)N[C@H]3CCc4ccccc43)cc2)C[C@@H](C)O1 195528680 FHEZZRCEQVNWLE-JKSBSHDWSA-N 364.489 3.713 0 40 FHAB CC(C)OCc1ncn2c1CN(C(=O)Nc1ccc(Cl)cc1)CCC2 96259939 UAJOMXSKBRLZLB-UHFFFAOYSA-N 362.861 3.899 0 40 FHAB Cc1nc(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)c(-c2ccccc2)s1 331855532 FHDSMTRATAKQSD-MRXNPFEDSA-N 370.396 3.648 0 40 FHAB Cc1noc(C)c1-c1cc(C[C@@H]2CCCN(Cc3nccs3)C2)ncn1 257200564 ADVDPKJNJOSASS-HNNXBMFYSA-N 369.494 3.660 0 40 FHAB CC1(c2ncc(Cc3cccc(F)c3)o2)CCN(c2ncccn2)CC1 257236451 HCHDXNVDJRIPCW-UHFFFAOYSA-N 352.413 3.753 0 40 FHAB CN(Cc1c(C(=O)O)sc2cccc(F)c12)C[C@H]1CCCC[C@@H]1O 1598506190 YLHVBWVSXYVKRD-RISCZKNCSA-N 351.443 3.722 0 40 FHAB Cc1cc([C@H]2CCCN(C(=O)c3c[nH]nc3-c3cccc(Cl)c3)C2)n[nH]1 669927241 VURLUJOGTOSHNE-AWEZNQCLSA-N 369.856 3.781 0 40 FHAB CC[C@@]1(CO)CCCN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)C1 1320605442 VNHXBRANSCTSMI-OAQYLSRUSA-N 354.450 3.844 0 40 FHAB Cc1ccccc1C(=O)NCC(=O)N1CCC[C@H]1c1c(C)cccc1C 617175676 MMTJFPFWRGGRDG-IBGZPJMESA-N 350.462 3.705 0 40 FHAB O=C(Nc1ccccc1OCc1ccccc1)N1C[C@H]2C[C@H](O)C[C@H]1C2 640329409 ZUKHQYTUFHFFRC-KURKYZTESA-N 352.434 3.643 0 40 FHAB Cc1c(NC(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)cccc1N(C)C 654028893 NIRYTWLFSLXFSU-SWLSCSKDSA-N 359.392 3.683 0 40 FHAB Cc1nc(C)c(CN2CCC[C@@]3(C2)CN(CC2CCCCC2)C3=O)s1 585099276 AJJCCLSMDNYTAL-HXUWFJFHSA-N 361.555 3.765 0 40 FHAB C[C@]1(c2cccs2)NC(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O 53863476 ODUBXMCTZCKUEL-OAHLLOKOSA-N 354.353 3.734 0 40 FHAB COc1cc(C)cc(OC)c1OCC(=O)Nc1ccc(F)c(Cl)c1 5454504 FEZKWGMAVRKUQE-UHFFFAOYSA-N 353.777 3.822 0 40 FHAB CCSc1nnc(CNC(=O)N(c2ccccc2)c2ccccc2)n1C 5001662 PZRBEKNDPBEVHA-UHFFFAOYSA-N 367.478 3.975 0 40 FHAB Cc1cc(C(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc2n1 5356631 KMOXNHISFAWTLR-JOQOYGCGSA-N 354.450 3.783 0 40 FHAB O=C(CSc1nnc(-c2cccs2)o1)Nc1cc(F)cc(F)c1 11703716 LEOKGRZNXCEYRR-UHFFFAOYSA-N 353.375 3.807 0 40 FHAB COc1ccc(C(=O)Nc2cc(C(=O)O)ccc2C)cc1Br 13258653 XPRCUQCZJNPPED-UHFFFAOYSA-N 364.195 3.717 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(OC)cc2)c1 13668560 DZYDCWPKQBNSAY-AWEZNQCLSA-N 357.406 3.586 0 40 FHAB Cc1ccc(C)c(O[C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 13710485 QPRNXAKMQMMCFV-QGZVFWFLSA-N 356.441 3.559 0 40 FHAB Cc1cc(C(C)(C)C)oc1C(=O)N1CCC(O)(c2cccnc2F)CC1 19119603 APJNIPLRYXMJGS-UHFFFAOYSA-N 360.429 3.543 0 40 FHAB COC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc2c1CCCC2 6128124 QRKAIZPNKAZOPB-UHFFFAOYSA-N 373.474 3.993 0 40 FHAB CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCN1C(=O)C(C)C 643564227 ZTVAWTCRCCQQLR-SFHVURJKSA-N 374.525 3.831 0 40 FHAB O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCCN1C(=O)c1cccs1 3455818 QFOOXKIUJWLREY-IRXDYDNUSA-N 354.475 3.547 0 40 FHAB O=C(Nc1ccccc1F)c1cnn(-c2ccccn2)c1C(F)(F)F 24648181 JTQUURKTCOECOC-UHFFFAOYSA-N 350.275 3.678 0 40 FHAB CC(C)(C)c1cnnn1-c1ccc(C(=O)COC(=O)c2ccccc2)cc1 5284358 JRRQJCYOSGEVGW-UHFFFAOYSA-N 363.417 3.605 0 40 FHAB Cc1ccccc1Cn1cccc(C(=O)Nc2ccc(F)c(F)c2)c1=O 5269184 YXIVYWAVDFZHJE-UHFFFAOYSA-N 354.356 3.736 0 40 FHAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1ccc(F)cc1 11694394 YVNNKUJLWBUGQO-UHFFFAOYSA-N 371.387 3.869 0 40 FHAB Cn1cccc1CN(Cc1cccs1)S(=O)(=O)c1cccs1 49410074 AEGXDOLHIXIOAV-UHFFFAOYSA-N 352.506 3.539 0 40 FHAB O=C(Cc1cccc(C(F)(F)F)c1)NC1CCC(n2cccn2)CC1 618257444 WLPPGYIFNZAMCH-UHFFFAOYSA-N 351.372 3.745 0 40 FHAB COc1ccc(C(C)(C)C)cc1NC(=O)CNc1ccc2c(c1)OCO2 76556513 LMTFEZJCXFDKSA-UHFFFAOYSA-N 356.422 3.772 0 40 FHAB COc1cc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)ccc1OC(C)C 6256510 BMSQLJBLCBYBST-IKYZENMTSA-N 373.493 3.649 0 40 FHAB biogenic O=C(NCc1ccc(N2CCCCCC2)nc1)Nc1nnc(C2CC2)s1 40119140 KCHIMRWJDNQVGI-UHFFFAOYSA-N 372.498 3.513 0 40 FHAB COC(=O)c1ccc(COC(=O)c2cc3ccc(OC)cc3nc2C)cc1 10725550 LMYBPRHSPULLLF-UHFFFAOYSA-N 365.385 3.695 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)CCN(Cc2ccco2)Cc2ccco2)c1 16418150 DDAZHPTUOPMZDU-UHFFFAOYSA-N 373.474 3.966 0 40 FHAB Cc1ccc2cc3c(N)c(C(=O)NC[C@H]4CCCO4)sc3nc2c1C 1342921 TUYNBTVNMKCLRI-CYBMUJFWSA-N 355.463 3.557 0 40 FHAB COC(=O)[C@@]1(Cc2ccc3c(c2)CCC3)Cc2cc3c(cc2C1=O)CCC3 1645356 OJPPMCOCOQWCNP-DEOSSOPVSA-N 360.453 3.805 0 40 FHAB CCOc1ccc([C@H]2N=C(O)c3c(sc4c3CCN(CC)C4)N2)cc1 4556443 DMTWDZFBGCKDMW-KRWDZBQOSA-N 357.479 3.954 0 40 FHAB CCCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 4952878 ZCSDBIUPKZBMIC-BXKDBHETSA-N 358.389 3.745 0 40 FHAB COc1ccc(CC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 6789636 FYELCKPIKPGTBV-NRFANRHFSA-N 355.434 3.522 0 40 FHAB Brc1ccc2c(c1)C=C(c1nnc(-c3cccnc3)o1)CO2 20744538 MPBLUZNZAPNMRD-UHFFFAOYSA-N 356.179 3.827 0 40 FHAB COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 7404699 POUHTBXOGFGJAM-UHFFFAOYSA-N 360.218 3.581 0 40 FHAB COc1ccccc1CCC(=O)N[C@H](CC(C)C)c1nnc2ccccn12 20719306 BVMYNQSRPPHAAI-QGZVFWFLSA-N 366.465 3.574 0 40 FHAB O=C(NCC1(c2ccccc2)CC1)NC1CCN(Cc2ccccc2)CC1 32889714 IFONRGNKLAIPRK-UHFFFAOYSA-N 363.505 3.682 0 40 FHAB CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ncnn32)cc1OC 102628058 AUZZARHDYHGDDM-GOSISDBHSA-N 368.437 3.993 0 40 FHAB COc1ccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c(OC)c1 46510150 YXWKVKIFGLJGKV-QGZVFWFLSA-N 357.406 3.514 0 40 FHAB Cc1cc(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)no1 912344 YQEWIWBFUJOWQK-UHFFFAOYSA-N 360.464 3.597 0 40 FHAB Cc1[nH]c2nc(Cc3ccc(Cl)cc3)nn2c(=O)c1Cc1ccccc1 100650722 ZFCQBULZNLSBMT-UHFFFAOYSA-N 364.836 3.561 0 40 FHAB CCOc1ccc(-n2nnc(C(=O)Nc3ccc(C)cc3C)c2C)cc1 2713294 AAIWNOBZUGAZOG-UHFFFAOYSA-N 350.422 3.844 0 40 FHAB COc1c(Br)cc(F)cc1NC(=O)CCc1c(C)noc1C 23513946 CQFKRXOZQGBGBI-UHFFFAOYSA-N 371.206 3.773 0 40 FHAB O=C(Oc1ccccc1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 23655060 VQOIOZNUTWDRSM-UHFFFAOYSA-N 357.365 3.702 0 40 FHAB O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)C1(c2ccccc2)CCC1 43055122 QGZKPGRIHVJJEC-UHFFFAOYSA-N 359.433 3.735 0 40 FHAB COc1ccc(NC(=O)NC[C@H](c2ccsc2)N(C)C)cc1Cl 43331958 ICVSOLMEDUUVEB-CQSZACIVSA-N 353.875 3.835 0 40 FHAB O=C(OCCOc1ccccc1)c1csc(NCc2ccccc2)n1 22375005 WGVOMSRFVYEGBQ-UHFFFAOYSA-N 354.431 3.991 0 40 FHAB Cc1cccc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)n1 47296429 JFMGQFRSTYRPRU-CQSZACIVSA-N 352.463 3.855 0 40 FHAB O=C(CC1(Cn2cnnn2)CCCCC1)Nc1cc(Cl)ccc1Cl 44900675 NKAUYRVANQYFDO-UHFFFAOYSA-N 368.268 3.959 0 40 FHAB Cc1nc(-c2ccccc2)n(CC(=O)N(C)Cc2ccc(Cl)s2)n1 58311127 LAXYOWOHMVMDNU-UHFFFAOYSA-N 360.870 3.627 0 40 FHAB CC(C)c1ccccc1NC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 3224651 SUDRFVBZKFJDPV-CSKARUKUSA-N 367.401 3.734 0 40 FHAB O=C(COC(=O)c1ccc2ccccc2n1)N[C@H]1CCCc2ccccc21 3274725 AGJABNAZQLWKPB-IBGZPJMESA-N 360.413 3.585 0 40 FHAB COc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1Cl 27663906 YPLQKMYDQAHHMP-HNNXBMFYSA-N 364.898 3.977 0 40 FHAB Fc1ccc(-c2cnc(CSc3nnnn3-c3cccc(F)c3)o2)cc1 12622709 LUYSOSRPTBGRMS-UHFFFAOYSA-N 371.372 3.888 0 40 FHAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)CCc1nc2ccccc2s1 12616854 NZBLJBULBDTOEV-OKILXGFUSA-N 360.479 3.562 0 40 FHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)COc2cccc(C)c2)c1 12754623 VXJQUMNVWMAZDN-LJQANCHMSA-N 355.434 3.755 0 40 FHAB O=C(Cc1csc(-c2cccs2)n1)N1CCN(c2ccccc2)CC1 8429741 KIZYLCWXKZLMKP-UHFFFAOYSA-N 369.515 3.763 0 40 FHAB O=c1c2ccccc2nc(SCCc2ccccc2)n1C[C@@H]1CCCO1 6066652 MPBDXZHASQTGPJ-KRWDZBQOSA-N 366.486 3.910 0 40 FHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc(Cl)ccc1F 14019034 GKZZFQSETAICOJ-LBPRGKRZSA-N 358.804 3.893 0 40 FHAB COc1ccc2c(CC(=O)Nc3ccc4c(c3)OCCCO4)coc2c1 14077795 CEDXQHXHIDVISW-UHFFFAOYSA-N 353.374 3.784 0 40 FHAB CCc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCCC3)c(O)n2n1 22852938 UGINFDZXLKSHLE-AWEZNQCLSA-N 362.886 3.897 0 40 FHAB CC1CCC2(CC1)NC(=O)N(CCSc1ccc(Cl)cc1)C2=O 5471629 JMKIKPXMGWTQDR-UHFFFAOYSA-N 352.887 3.933 0 40 FHAB CCOc1ccc(OCCCC(=O)NCCc2ccccc2OC)cc1 14603563 QXGDUJMCPFNTHO-UHFFFAOYSA-N 357.450 3.612 0 40 FHAB Cc1ccc(OCc2nnc(S)n2-c2ccc3c(c2)OCCO3)cc1C 6788741 MQQLSEDNBQTHFI-UHFFFAOYSA-N 369.446 3.523 0 40 FHAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1n[nH]c2ccccc12 4823088 DGPSDKRWNSQMJR-UHFFFAOYSA-N 365.433 3.547 0 40 FHAB O[C@@]1(C(F)(F)F)[C@@H]2CCCCC2=NN1c1nc(-c2ccccn2)cs1 4916011 ZVOIOUBKMZZODN-MEBBXXQBSA-N 368.384 3.822 0 40 FHAB COc1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)c(OC)c1 27969569 GTBBRJZSJLNKRS-UHFFFAOYSA-N 371.824 3.854 0 40 FHAB COC(=O)c1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)s1 15194531 USAPHWYYMRNZIQ-UHFFFAOYSA-N 367.810 3.602 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccc1C 7265329 YDAZTVPKZSMSTL-UHFFFAOYSA-N 372.490 3.730 0 40 FHAB CCOc1ccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 7400570 HQTIMRUDULDANW-UHFFFAOYSA-N 370.493 3.747 0 40 FHAB CCOC(=O)CS[C@H]1c2ccccc2C(=O)N1CCc1ccccc1 9434863 BGVKCVQXFSHIDI-FQEVSTJZSA-N 355.459 3.680 0 40 FHAB COc1ccc(C(=O)Nc2nc3c(F)c(F)c(F)cc3s2)cc1OC 9452055 IKWIPXNKNCFVAN-UHFFFAOYSA-N 368.336 3.983 0 40 FHAB CS(=O)(=O)c1ccc(NC(=O)CCCc2nc3ccccc3s2)cc1 9592281 YIGOSYUJSJSIGP-UHFFFAOYSA-N 374.487 3.661 0 40 FHAB Cc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C(C)C)cc3n2)cc1 408620489 JOCUVKNGXLMMAU-UHFFFAOYSA-N 367.478 3.506 0 40 FHAB CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC(Sc2ccccn2)CC1 72308934 ZHUPNSNLCLAXBB-IAGOWNOFSA-N 361.555 3.818 0 40 FHAB O=S(=O)(NC1CCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 9914102 MPZHLEGJLFONNG-UHFFFAOYSA-N 361.307 3.945 0 40 FHAB CC(C)n1cc(CC(=O)Nc2cccc(-c3nnn(C)n3)c2)c2ccccc21 79483535 JFYSVTUUFOIUTO-UHFFFAOYSA-N 374.448 3.594 0 40 FHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc2ccc(F)cc2s1 32855836 NVSHBVVUAGFASP-NSHDSACASA-N 373.409 3.689 0 40 FHAB Cc1nccn1-c1cccc([C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 72378853 QERHSYQMAQBOAL-QGZVFWFLSA-N 364.424 3.735 0 40 FHAB CN1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2Cl)CC1 71806454 NWTICTFAWIUXDP-UHFFFAOYSA-N 364.276 3.998 0 40 FHAB Cc1ccccc1CN1CCC[C@@H]1c1cncc(Nc2nncs2)n1 72376309 BFRRNVXXZOHTNA-MRXNPFEDSA-N 352.467 3.717 0 40 FHAB CCCCC(=O)Nc1ccc(NC(=O)COc2ccccc2)cc1OC 32115604 PPPREJKVOWHWAW-UHFFFAOYSA-N 356.422 3.841 0 40 FHAB COc1ccc(N2C(=O)C[C@@H](Nc3ccc(Cl)cc3Cl)C2=O)cc1 36635638 XASPJYPWPOSZPZ-OAHLLOKOSA-N 365.216 3.746 0 40 FHAB Cc1cc([C@@H]2CCCN2CCOc2ccc(C(=O)O)cc2Cl)on1 565104464 RVFPDGISWAMAAK-AWEZNQCLSA-N 350.802 3.551 0 40 FHAB Cc1ccc(SCCNC(=O)C2(c3ccccc3)CCOCC2)cc1 41777468 FQXXHSUOESBLME-UHFFFAOYSA-N 355.503 3.952 0 40 FHAB COc1cc(OC)cc([C@H](C(=O)O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)c1 563282239 GLDVBSHWBWYRSQ-IWMITWMQSA-N 369.461 3.955 0 40 FHAB CN(C)C(=O)c1ccc(NC(=S)NC2(c3cccnc3)CCCC2)cc1 225871521 LWLUDJYGTCSMCX-UHFFFAOYSA-N 368.506 3.539 0 40 FHAB Cn1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 224415589 PBVVOONYCOENJN-ZWKOTPCHSA-N 352.438 3.736 0 40 FHAB COc1ccc([C@@H](C)NC(=O)c2cc3cccc(Cl)c3oc2=O)cc1 226040975 NMARVTJCVGMHOX-LLVKDONJSA-N 357.793 3.946 0 40 FHAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CC 225288097 FFLCIZFTEDKYNZ-OAQYLSRUSA-N 366.505 3.953 0 40 FHAB CC(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1 225765507 MZJBGTAKPLUQLS-CQSZACIVSA-N 352.434 3.930 0 40 FHAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)c1 225280580 BUSRFBBFVDCZSZ-IAGOWNOFSA-N 369.461 3.842 0 40 FHAB O=S(=O)(NC[C@H](c1ccccc1Cl)N1CCCC1)c1cccs1 47213406 GEMYMYHZNBVWIQ-OAHLLOKOSA-N 370.927 3.517 0 40 FHAB CCc1ccc(N([C@H](C)C(=O)Nc2ccc(C)cc2C)S(C)(=O)=O)cc1 220260969 WMTIYYFVLLTPNN-MRXNPFEDSA-N 374.506 3.659 0 40 FHAB Cc1ccccc1CN1CCC2(CC1)C[C@@H](OCc1ccccn1)CO2 96106915 NNKMDTWITBPKKC-OAQYLSRUSA-N 352.478 3.730 0 40 FHAB O=C1C[C@H](C(=O)Nc2cc(CC3CCCCC3)n[nH]2)c2ccc(F)cc2N1 97504876 NMRWURCYAQUZKZ-INIZCTEOSA-N 370.428 3.736 0 40 FHAB CCc1nc(N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c2ccsc2n1 585083485 PRKFTAHAEISXIL-HXUWFJFHSA-N 371.481 3.824 0 40 FHAB COc1ncccc1C(=O)N1C[C@H]2[C@@H](Oc3ccc(Cl)cc3)CC[C@H]2C1 257214514 CMHCHAIYAQVUII-VHSSKADRSA-N 372.852 3.673 0 40 FHAB C[C@]1(NC(=O)c2ccc(N3CCCCCC3)cc2)CCCC[C@H]1C(=O)O 1604591357 AFOIROMIGROOOH-RXVVDRJESA-N 358.482 3.830 0 40 FHAB FC(F)c1cc(N2CCN(c3cccc(Br)c3)CC2)ncn1 1612367771 MFVUJSSBMXMLNA-UHFFFAOYSA-N 369.213 3.503 0 40 FHAB COc1ccc(NC(=O)[C@@H](C)c2ccc(C(=O)C(C)C)cc2)c(OC)n1 669966077 SAWVKYNLVZIIIE-ZDUSSCGKSA-N 356.422 3.680 0 40 FHAB CC[C@H](C)n1c(SCC(=O)NCc2ccco2)nnc1-c1ccccc1 58195339 QUBLEJMTMRSPAC-AWEZNQCLSA-N 370.478 3.918 0 40 FHAB O=S(=O)(/C=C/c1ccccc1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 56138192 KNAWWMNTEWIXRN-PWHIRKQZSA-N 361.438 3.636 0 40 FHAB O=C(c1cnn(-c2ccc(F)cc2)n1)N1CCCSc2ccccc21 78038208 BLITXAQQWSQCFQ-UHFFFAOYSA-N 354.410 3.549 0 40 FHAB CN(C)c1cc(-c2noc([C@@H]3CCCN(Cc4ccccc4)C3)n2)ccn1 83854215 OJECVRRVYLISKB-GOSISDBHSA-N 363.465 3.577 0 40 FHAB COc1cc(CC(=O)O[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc(OC)c1OC 106551415 YMHLHGWVTOAYOR-DRPJVOAASA-N 362.466 3.869 0 40 FHAB CC(C)CNC(=O)COC(=O)[C@@H](Sc1ccccc1)c1ccccc1 5990177 SKWYUBCONZQXIS-IBGZPJMESA-N 357.475 3.835 0 40 FHAB O=C(Cc1cccs1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)n[nH]1 12115763 TXPNRWUOBZISBH-HNNXBMFYSA-N 356.426 3.579 0 40 FHAB COc1cccc(C2(NC(=O)CCn3nc(C)c(C)c3C)CCCC2)c1 12197482 OTQSVVNFTMWRIL-UHFFFAOYSA-N 355.482 3.793 0 40 FHAB COc1ccc(-c2cc(CC(=O)Nc3ccc(F)c(F)c3F)no2)cc1 12867213 YNVQCIPFHKSICO-UHFFFAOYSA-N 362.307 3.949 0 40 FHAB COc1ccc(-c2noc([C@@H](C)NC(=O)c3cccc(Cl)c3)n2)cc1 13495068 GEXGBZHHZSOHTL-LLVKDONJSA-N 357.797 3.890 0 40 FHAB COC(=O)c1ccc(NC(=O)/C=C/c2ccc(OC(F)F)cc2)s1 15193635 XPHQGRDTBIBFBR-XBXARRHUSA-N 353.346 3.788 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)CCOc2ccccc2OC)cc1 15543868 LNODIIZLQIPXBV-SFHVURJKSA-N 355.434 3.836 0 40 FHAB Cn1ccc([C@@H]2CCCCCN2C(=O)c2cc(-c3ccc(F)cc3)no2)n1 19291027 ICKUFMZNJXKRBI-SFHVURJKSA-N 368.412 3.972 0 40 FHAB CCn1c(NC(=O)CCc2nc(-c3cccs3)no2)nc2ccccc21 19524418 ISXUINMWCKORDI-UHFFFAOYSA-N 367.434 3.739 0 40 FHAB CCn1ccnc1CN1Cc2ccccc2OC2(CCC(N(C)C)CC2)C1 19578154 KVCXOWUYMVOHDD-UHFFFAOYSA-N 368.525 3.541 0 40 FHAB Cc1cc(C(=O)N2CCC(CCn3ccnc3C)CC2)c2ccccc2n1 19657220 ANGZJZIGHHJICV-UHFFFAOYSA-N 362.477 3.991 0 40 FHAB C[C@H](Sc1nnc(Cc2cccs2)n1C)C(=O)N(C)c1ccccc1 32670175 NWWCGEWNHZXWJU-ZDUSSCGKSA-N 372.519 3.611 0 40 FHAB COCCOc1ccc(NC(=O)c2csc(Br)c2)cc1 29214550 SVOVAJNZWXUUDU-UHFFFAOYSA-N 356.241 3.788 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc1 629652 FFZBISYVMZINKH-UHFFFAOYSA-N 364.430 3.506 0 40 FHAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CNCC(C)C 1466012 JLNMTALLPBETBH-UHFFFAOYSA-N 360.479 3.776 0 40 FHAB CCOC(=O)CSc1nc(NCCc2ccccc2)c2ccccc2n1 2941490 BZIJWTRPWXBNNH-UHFFFAOYSA-N 367.474 3.940 0 40 FHAB O[C@@]1(c2ccc(OC(F)F)cc2)CN(c2ccccc2)C2=[N+]1CCCC2 4086822 HLFVJLZHAYSEMR-HXUWFJFHSA-N 359.396 3.548 0 40 FHAB CCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(Cl)ccc21 4193372 WXIDVQLQXFDRTQ-UHFFFAOYSA-N 361.850 3.816 0 40 FHAB COc1cccc(NC(=O)CSc2nc(-c3ccccc3)ns2)c1 4167248 GBMPMMSQPMGBLV-UHFFFAOYSA-N 357.460 3.945 0 40 FHAB CCOc1ccc(CC(=O)Nc2nc3cc(OC)c(OC)cc3s2)cc1 7614980 MJPGCVIBLVDAAR-UHFFFAOYSA-N 372.446 3.893 0 40 FHAB COc1ccc(CC(=O)NCc2cc(-c3ccco3)cs2)cc1OC 1775968859 XLJWMJJMIAZXFU-UHFFFAOYSA-N 357.431 3.884 0 40 FHAB CC1=C(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)C=C2C=CC=C[C@H]2O1 4000098 JXSGLNRZTNLMMK-QZTYOQMJSA-N 372.468 3.892 0 40 FHAB biogenic Cc1c(C(=O)Nc2ccc(-n3cnnn3)cc2)sc2cccc(F)c12 20007508 AQVAOEMAXUHPGD-UHFFFAOYSA-N 353.382 3.577 0 40 FHAB O=S(=O)(Nc1ccc(N2CCCC2)c(F)c1)c1cc(F)cc(F)c1 40152656 DDVBKVDGSRTEQH-UHFFFAOYSA-N 356.369 3.505 0 40 FHAB COc1ccc(Cc2nn3c(Cc4ccc(F)cc4)nnc3s2)cc1 632823 QLJUDXOFLMOCSM-UHFFFAOYSA-N 354.410 3.515 0 40 FHAB Cc1cc(C)nc(N2CCC(C(=O)N[C@H]3CCCc4ccccc43)CC2)n1 4388964 MVDQDQQJDIVOQS-FQEVSTJZSA-N 364.493 3.504 0 40 FHAB CC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccccc2Br)C1=O 4477348 NMENZHKGOJVKFY-SFHVURJKSA-N 373.250 3.806 0 40 FHAB CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nc2ccccc21 4484585 JYSBHMGQCPCUCE-UHFFFAOYSA-N 369.446 3.574 0 40 FHAB CCN1C(=O)N/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C1=O 4516927 YZIQFVAAIGHPGC-WOJGMQOQSA-N 363.392 3.741 0 40 FHAB CCCC[C@H](CC)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 4547882 JXENVZUAVATLRL-HNNXBMFYSA-N 352.500 3.626 0 40 FHAB COCCCNC(=S)N(CCc1nc2ccccc2[nH]1)C1CCCCC1 4861847 CQLZGWQLYLGYHB-UHFFFAOYSA-N 374.554 3.651 0 40 FHAB CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2 4944278 QORGXULYLXRFBJ-MRVPVSSYSA-N 370.261 3.663 0 40 FHAB CSc1nnc(CCNC(=O)N(c2ccccc2)c2ccccc2)n1C 5001743 NRFHYCRMLBJOGS-UHFFFAOYSA-N 367.478 3.627 0 40 FHAB O=C(O)CCCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 5024694 RXBZSBOWWPVZDN-HNNXBMFYSA-N 360.410 3.820 0 40 FHAB CC(C)Cn1c(SCC(=O)NCc2ccco2)nnc1-c1ccccc1 6327432 IEVDKFXISAPEQW-UHFFFAOYSA-N 370.478 3.603 0 40 FHAB Cc1ccc2c(c1)[C@]1(SCCC(=O)N1c1ccc(Cl)cc1)C(=O)N2 6488444 PNZMLDZZBBNRJP-SFHVURJKSA-N 358.850 3.923 0 40 FHAB O=C(CSc1nnc(-c2ccccc2)o1)NC12CC3CC(CC(C3)C1)C2 6674773 OBYDDUFOICCNBH-UHFFFAOYSA-N 369.490 3.914 0 40 FHAB CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccc(F)cc1F 6820055 PRUIVCBEASEMRK-OAHLLOKOSA-N 351.393 3.822 0 40 FHAB COCCn1c(C)cc(C2=NN=C(Nc3cccc(C)c3)SC2)c1C 6830390 DRJUDWGDHZYEBU-UHFFFAOYSA-N 356.495 3.979 0 40 FHAB CCNC(=O)[C@H](C)OC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 7181621 FTZNAWPLHINORH-JTQLQIEISA-N 355.312 3.647 0 40 FHAB COc1ccc(CC(=O)OCC(=O)c2ccc3c(c2)CCCC3)cc1F 7569272 DDZVWNVWEGKNBQ-UHFFFAOYSA-N 356.393 3.682 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(SC)cc1OC 7758338 DYTQJLRSUSLTAN-UHFFFAOYSA-N 360.435 3.636 0 40 FHAB O=C([C@@H](Sc1nnnn1C1CCCC1)c1ccccc1)N1CCCCC1 8073369 BXDACZAPOKQLIF-KRWDZBQOSA-N 371.510 3.634 0 40 FHAB COCCNCc1cc(Br)ccc1OCc1ccccc1 8469114 QKBUJBCNYYMLPA-UHFFFAOYSA-N 350.256 3.764 0 40 FHAB Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)O)cc(C)c1C 8508584 MSTGOALKMQQMBR-UHFFFAOYSA-N 353.827 3.764 0 40 FHAB Cc1ccc(-n2c(C)nnc2SC[C@@H](O)COc2ccc(F)cc2)cc1 8710879 NUWKDYYVTKSMNZ-KRWDZBQOSA-N 373.453 3.555 0 40 FHAB CC(C)N(C(=O)Cc1csc(NC(=O)Nc2ccccc2)n1)C(C)C 9784563 NZEDRWJUVAITBR-UHFFFAOYSA-N 360.483 3.975 0 40 FHAB C[C@@H]1CCCCN1C(=O)c1cc(-c2ccncc2)c(N2CCOCC2)s1 12222018 ACTAAOKFGUNMNS-OAHLLOKOSA-N 371.506 3.661 0 40 FHAB Cc1cc(C)c(OCC(=O)N[C@H](c2ccccc2)c2nccn2C)c(C)c1 12507411 PQXOKPMNIKFVGL-HXUWFJFHSA-N 363.461 3.630 0 40 FHAB CC[C@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2C)ccc1C 12526070 RHROZXHJVVITNN-HNNXBMFYSA-N 360.479 3.633 0 40 FHAB Cc1cccc(NC2=NN=C(c3ccc4c(c3)CC(=O)N4C)CS2)c1C 12555023 FVESHGGHMGWELO-UHFFFAOYSA-N 364.474 3.741 0 40 FHAB CCOc1cc2c(cc1NS(=O)(=O)c1cc(C)ccc1C)O[C@@H](C)C2 12560605 SHJPSSRRRMEEBB-AWEZNQCLSA-N 361.463 3.826 0 40 FHAB CSc1ccc(C)c(C(=O)N2CCC[C@H]2c2nnc3ccccn23)c1 12776399 APTJSHOTZMXQNA-INIZCTEOSA-N 352.463 3.737 0 40 FHAB O=C(Cc1csc(-c2ccccn2)n1)Nc1nc2c(s1)CCCC2 12793006 DBCGYCCGHFEMSI-UHFFFAOYSA-N 356.476 3.722 0 40 FHAB O=C(Cc1ccc(F)cc1)NC1CCN(Cc2ccc(Cl)cc2)CC1 12974170 MGMPPTJEQNIAMX-UHFFFAOYSA-N 360.860 3.802 0 40 FHAB CCOc1ccc2nc(SCC(=O)N[C@@H](C)c3ccccc3)[nH]c2c1 13284331 JGNDOFDKSOTVIH-ZDUSSCGKSA-N 355.463 3.931 0 40 FHAB CCOC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccc(C(C)C)cc1)CC2=O 13637182 HSKPWUYWBVTGPJ-OAHLLOKOSA-N 353.418 3.588 0 40 FHAB CN(c1ccc(OC(=O)C2CCCC2)cc1)S(=O)(=O)c1cccs1 15965647 SKRVSGGQKPZRQD-UHFFFAOYSA-N 365.476 3.669 0 40 FHAB COC(=O)[C@H](c1ccccc1)c1ccccc1S(=O)(=O)c1ccccc1 18194194 ADDFIXRSDYVWCK-HXUWFJFHSA-N 366.438 3.824 0 40 FHAB Cc1ccc(OCC(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1 20609904 YAROLOICFOGDDQ-UHFFFAOYSA-N 358.401 3.746 0 40 FHAB Cc1cc(C(=O)OCC(=O)NCC2(c3ccccc3)CC2)c2ccccc2n1 21555385 KGHYSMFJAGLQEJ-UHFFFAOYSA-N 374.440 3.548 0 40 FHAB CCCCNC(=O)C(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C 21874610 JVKABYMMCVFUHI-UHFFFAOYSA-N 367.371 3.607 0 40 FHAB CN1CCN(c2ccc(NC(=S)Nc3ccc(Cl)cc3)cc2)CC1 23102912 RKXBKRRQYKWIQM-UHFFFAOYSA-N 360.914 3.901 0 40 FHAB O=S(=O)(Nc1cccc(Oc2cnccn2)c1)c1ccccc1Cl 24576290 ORHNQZFMFOBUHO-UHFFFAOYSA-N 361.810 3.723 0 40 FHAB C[C@H](Sc1ccc2c(c1)OCCO2)C(=O)N(C)Cc1cccc(F)c1 24726703 ASMPYJAYWNPJGT-ZDUSSCGKSA-N 361.438 3.736 0 40 FHAB CCOCc1ccc(CNC(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)cc1 24745522 CCIKEAAFLDSDPT-FOIQADDNSA-N 366.461 3.748 0 40 FHAB Cn1c(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)nc2ccccc21 28225197 QHWMKGFNQVRESK-UHFFFAOYSA-N 365.824 3.724 0 40 FHAB C[C@@H](OC(=O)CCOc1ccc(C(C)(C)C)cc1)C(=O)NC1CCCC1 28675327 GJHIINUXQDOHNR-OAHLLOKOSA-N 361.482 3.744 0 40 FHAB CCc1noc(C)c1C(=O)NCc1ccc(CN2CCC(C)CC2)cc1 29358407 GTRJZHJYOHSXHS-UHFFFAOYSA-N 355.482 3.707 0 40 FHAB Cc1ccc(SCCNC(=O)c2cccc(N3CCCC3=O)c2)cc1 32744462 DFMXRIIKNNPNGY-UHFFFAOYSA-N 354.475 3.644 0 40 FHAB O=C(NC1(c2ccccc2)CCC1)C1CCN(C(=O)c2ccsc2)CC1 32772391 FROHXGFXBMGJHT-UHFFFAOYSA-N 368.502 3.796 0 40 FHAB CC[C@](C)(NCCc1ccccc1)c1nnnn1-c1ccc(Cl)cc1 35622219 NGFPVSVNMFCUFL-IBGZPJMESA-N 355.873 3.773 0 40 FHAB C[C@H]1CCCCN1Cc1ccccc1CNC(=O)COc1ccccc1 36396125 ZXFWJYSPCGSPAR-SFHVURJKSA-N 352.478 3.756 0 40 FHAB CC(C)c1ccc(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)cc1 40086748 XCJWDIDEBVSXQW-UHFFFAOYSA-N 351.381 3.747 0 40 FHAB CC(C)CN1CCC(NC(=O)NCc2cccc(C(F)(F)F)c2)CC1 43075854 HABDGMCOTFTLJP-UHFFFAOYSA-N 357.420 3.625 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(F)cc2C(F)(F)F)c1C 46817770 NPRYFGPRMZTKHC-UHFFFAOYSA-N 356.319 3.922 0 40 FHAB CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)O)[C@H]1c1ccc(OC)cc1 49466930 RXFHEIFPGNOEKV-UPRAQXHNSA-N 353.418 3.859 0 40 FHAB O=C1C[C@@H](c2cccnc2)c2c(c(C(=O)O)cn2-c2ccc(Cl)cc2)N1 49548537 CTVSQNFRCGVNKE-AWEZNQCLSA-N 367.792 3.698 0 40 FHAB Cc1sc(NC(=O)c2c[nH]c(=O)c(Cl)c2)nc1-c1ccc(F)cc1 54520018 JLJKYXDEBNYKLV-UHFFFAOYSA-N 363.801 3.852 0 40 FHAB C[C@@H](Sc1nncs1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 55016206 PFOXECYLTQSXHL-NOZJJQNGSA-N 353.900 3.940 0 40 FHAB Cc1ccc(-c2nnc(S)n2CC(=O)N2CCCc3ccccc32)cc1 55527675 FJNVHYGDFMFBNG-UHFFFAOYSA-N 364.474 3.522 0 40 FHAB O=c1[nH]ncc(NCc2ccc(-c3ccc4c(c3)CCO4)cc2)c1Cl 57857572 BSGDANFBHKPGCX-UHFFFAOYSA-N 353.809 3.637 0 40 FHAB CCC[C@@H]1CCCN(C(=O)c2nc(N3CCCC3)ncc2Cl)CC1 58177894 VDXBIAFIKOUQAI-CQSZACIVSA-N 350.894 3.773 0 40 FHAB C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2ccc(Br)o2)C1 58264966 KGRQDDYCSAFSPB-JHJVBQTASA-N 355.276 3.520 0 40 FHAB COCCOCCC(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 58344012 YHSSLRITUGBCOH-QGZVFWFLSA-N 353.871 3.660 0 40 FHAB CC(C)(C)c1ncc(C(=O)NCCC(=O)N2CCCc3ccccc32)s1 62263200 PNJYRBXULOFTRJ-UHFFFAOYSA-N 371.506 3.540 0 40 FHAB COc1ccc(CCCNC(=O)CCCOc2ccccc2)cc1OC 65086671 IEVZSAREOLNELG-UHFFFAOYSA-N 357.450 3.612 0 40 FHAB CCN(CC)CCNC(=O)c1sc(Nc2ccc(C)cc2C)nc1C 71326656 DELALJHUOQNSKC-UHFFFAOYSA-N 360.527 3.884 0 40 FHAB CS(=O)(=O)c1ccc(NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 71761888 RUKTXJHOSAHHLN-UHFFFAOYSA-N 374.409 3.918 0 40 FHAB CC(C)N1CCC[C@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 72216402 YSSHLLJSJYFFPZ-SFHVURJKSA-N 374.529 3.684 0 40 FHAB CCOc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 72228104 WJNXHCXHECUVQI-HZPDHXFCSA-N 350.340 3.519 0 40 FHAB O=C(c1cc[nH]n1)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359698 XEXZBANBIORCIW-AWEZNQCLSA-N 367.840 3.540 0 40 FHAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1ccc2nc(C)oc2c1 74177081 ZJZLMCRWWIDNAL-LJQANCHMSA-N 363.417 3.611 0 40 FHAB O=C(N[C@H](c1nccs1)C1CC1)N1CCC(Oc2ccccc2)CC1 74708687 FHQFESXOBMFFSX-KRWDZBQOSA-N 357.479 3.847 0 40 FHAB Clc1ccc(OCc2cccnc2)c(CNC[C@@H]2CCN(C3CC3)C2)c1 75780453 JWPFFBZVLHYIJG-INIZCTEOSA-N 371.912 3.888 0 40 FHAB Cc1ccc(S(=O)(=O)CCC(=O)N2CCC[C@@H]2C2CCCCC2)cc1 77708675 GWXNZGJEIMMSRR-LJQANCHMSA-N 363.523 3.730 0 40 FHAB COc1ccncc1NC(=O)c1occc1CN1c2ccccc2C[C@@H]1C 78483052 XSFKOUSGBPERQL-AWEZNQCLSA-N 363.417 3.887 0 40 FHAB CCC(CC)S(=O)(=O)[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 78799071 NCUWYBCKPKXRMC-NSHDSACASA-N 356.875 3.978 0 40 FHAB CC1CCN(C(=S)SCC(=O)Nc2cnc3ccccc3c2)CC1 84697994 VQEYLMJAVLUALF-UHFFFAOYSA-N 359.520 3.923 0 40 FHAB CCCc1noc2nc(C3CC3)cc(C(=O)N3C[C@H](C)OC(C)(C)C3)c12 84758816 KKLMTGGXRZXIRF-LBPRGKRZSA-N 357.454 3.692 0 40 FHAB c1ccc(CN2CCC3(CC2)NN=C2CCN(Cc4ccccc4)C[C@@H]23)cc1 91244423 DRLOKFIDLJPWAC-QFIPXVFZSA-N 374.532 3.503 0 40 FHAB O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)Nc1ccc2c(c1)COC2 92163205 KWLHNRWDJVAGMZ-CQSZACIVSA-N 355.413 3.504 0 40 FHAB CCOC(=O)c1c(N)sc2c1CCN(c1nc3cc(C)ccc3o1)C2 95408912 SBZIKIPKTKTENY-UHFFFAOYSA-N 357.435 3.519 0 40 FHAB O=C(CCc1ccccc1OC(F)(F)F)N[C@@H]1CCCCC[C@H]1CO 95426725 MYVASNYXCCYSOK-LSDHHAIUSA-N 359.388 3.575 0 40 FHAB COc1cc(OC)cc([C@H](Nc2nccc(C)c2Cl)c2nccn2C)c1 95941830 DPJQMTDXKOBQAD-KRWDZBQOSA-N 372.856 3.996 0 40 FHAB Cn1ccnc1CCNc1ncnc2scc(-c3ccc(F)cc3)c12 95947669 PKCZIPRWSFIINL-UHFFFAOYSA-N 353.426 3.886 0 40 FHAB CCNC(=O)c1ccc(CNc2ncnc3sc4c(c23)CCC4)cc1 97476042 KDFJZAXUOQHIKW-UHFFFAOYSA-N 352.463 3.542 0 40 FHAB Cc1ccc(NC(=S)N2[C@H]3CCC[C@H]2CC(NC(=O)C2CC2)C3)cc1C 100427113 DAPKNQRBEHJKJC-OALUTQOASA-N 371.550 3.912 0 40 FHAB O=c1cc(O)n(C2CCCC2)c(SCc2ccccc2OC(F)F)n1 102206136 OGEDHLODVGMIGO-UHFFFAOYSA-N 368.405 3.958 0 40 FHAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCc1ccccc1 222906606 YBSNGIZXOFZTHK-INIZCTEOSA-N 356.441 3.659 0 40 FHAB CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C[C@@H]1CCCO1 223316425 DENGVJWHGYTDPE-ZYSHUDEJSA-N 370.522 3.616 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl 223636780 LGYSNQJYHGOSCB-INIZCTEOSA-N 372.896 3.744 0 40 FHAB COc1ccc2cc(S(=O)(=O)NCCSc3ccccc3)ccc2c1 223904919 RDJBFFDLEJDZPR-UHFFFAOYSA-N 373.499 3.919 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1Cl 224131188 AFUZUFMQKHDBEU-LBPRGKRZSA-N 354.233 3.956 0 40 FHAB COc1ccc(S[C@@H](C)C(=O)NCCOc2ccc(C)c(C)c2)cc1 224340240 MSUQDAXNOKDZDF-INIZCTEOSA-N 359.491 3.988 0 40 FHAB COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c(OC)c1 224808790 GXJMLIBKIJODDP-AWEZNQCLSA-N 355.434 3.989 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1C 224951785 XHQSNWUWBCFBCQ-UHFFFAOYSA-N 360.479 3.795 0 40 FHAB CCCOC1(C(=O)Nc2ccc(OCCOC)nc2C)CCC(C)CC1 225912406 WDTOWPMRBYBXFU-UHFFFAOYSA-N 364.486 3.729 0 40 FHAB COC(=O)c1ccc(-c2nc3cc(OC)cc(Br)c3[nH]2)cc1 226343933 MOOXFWWQKPAOPB-UHFFFAOYSA-N 361.195 3.788 0 40 FHAB CSc1cccc(NC(=O)c2cnc(O[C@@H]3CCOC3)c(Cl)c2)c1 253395524 BYZDJFKOMCMOKE-CYBMUJFWSA-N 364.854 3.877 0 40 FHAB Cc1cc(-c2nc(C)c[nH]2)nc([C@H]2CCCCN2C(=O)c2ccccc2)n1 257257981 KRWRRSOPFGZSAU-GOSISDBHSA-N 361.449 3.851 0 40 FHAB O=C(c1cnco1)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257285605 PHYAFEHCCOOUNK-AWEZNQCLSA-N 371.824 3.927 0 40 FHAB C[C@H]1CCCN(CCCNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)C1 260790412 AUMVLAWHWLKFGS-ROUUACIJSA-N 358.526 3.571 0 40 FHAB c1cncc(-c2ccc3nc([C@H]4CCCN(Cc5ccoc5)C4)nn3c2)c1 306134967 ODAVYHJFNPOGIZ-IBGZPJMESA-N 359.433 3.764 0 40 FHAB COc1ccc(CCS(=O)(=O)NCc2ccc(-c3ccoc3)cc2)cc1 390830402 KWDSDKNAUQBBJU-UHFFFAOYSA-N 371.458 3.617 0 40 FHAB CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(CC)cc2)CC1 408629146 LVANKFBIUTULQP-UHFFFAOYSA-N 365.477 3.560 0 40 FHAB Cc1c(C(=O)Nc2nc3c(Cl)cccc3n2C)nnn1CC1CCCC1 582340383 BRJVCYKNHNJQLO-UHFFFAOYSA-N 372.860 3.569 0 40 FHAB COc1cccc(CN2CCC3(CC2)OCC[C@H]3CCOCC2CC2)c1 585104430 IKXFCYPEFVZUKK-HXUWFJFHSA-N 359.510 3.883 0 40 FHAB Cc1noc(C)c1C(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1 599285709 QRJCCAPGKNPDFV-UHFFFAOYSA-N 368.462 3.830 0 40 FHAB O=C(O)[C@H]1[C@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)CC[C@H]21 616577619 JKXFSIRXKZELBS-WSTZPKSXSA-N 363.413 3.588 0 40 FHAB O=C(NCCC1=CCCCC1)C(=O)NC[C@@H](c1ccsc1)c1ccco1 675007614 AHGFJHJJENZUOC-KRWDZBQOSA-N 372.490 3.596 0 40 FHAB CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@H](OC=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1772491762 LIQRRNOQIKMVTQ-QAHMESRPSA-N 360.494 3.811 0 40 FHAB CCCSCc1nnc2sc(-c3ccc(Br)o3)nn12 1776111089 WYQGWXVWCFGUCY-UHFFFAOYSA-N 359.274 3.852 0 40 FHAB CCOCc1ccccc1CNC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 24774060 LYOCNRJAAATAPF-MGPUTAFESA-N 366.461 3.748 0 40 FHAB Fc1ccc(-c2oncc2-c2nnnn2-c2ccc(Cl)cc2)c(F)c1 721415 IHVADAGCXBZZCU-UHFFFAOYSA-N 359.723 3.916 0 40 FHAB CCNC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CCCC2 858398 GSMPMLMEFASNFW-UHFFFAOYSA-N 358.463 3.638 0 40 FHAB Cc1cn(-c2nc(-c3ccccc3)sc2-c2ccccc2)c(=O)[nH]c1=O 1098301 QRWFKUNTJAGAJQ-UHFFFAOYSA-N 361.426 3.625 0 40 FHAB COc1ccc(-c2ccc(SCC(=O)N3CCC[C@@H](C)C3)nn2)cc1 1332300 GCLGNDAQUURQPS-CQSZACIVSA-N 357.479 3.503 0 40 FHAB Cn1cc([C@@H]2SCC(O)=Nc3c2cnn3-c2ccc(Cl)cc2)cn1 79495625 AXMIBDIFTXYPMF-HNNXBMFYSA-N 359.842 3.683 0 40 FHAB Cc1occc1C(=O)Nc1cc(NS(=O)(=O)c2ccccc2)ccc1F 55592778 PULMFURRLAZATG-UHFFFAOYSA-N 374.393 3.780 0 40 FHAB O=C(COC(=O)c1ccncc1)Nc1c(Cl)cc(Cl)cc1Cl 3229711 NBURAYVCDMOLDE-UHFFFAOYSA-N 359.596 3.837 0 40 FHAB CN(C)[C@H](CNC(=O)c1c[nH]c(=S)n1-c1ccccc1)c1ccsc1 25331093 KXKSQHJTGYKTPX-OAHLLOKOSA-N 372.519 3.629 0 40 FHAB CC(C)c1ccccc1NC(=O)CSc1nc2sccc2c(=O)[nH]1 8456515 XDILMCVODSUATO-UHFFFAOYSA-N 359.476 3.839 0 40 FHAB CC(C)(C)c1cc(C[C@H]2CNCC[C@H]2CC(=O)NC2CCCCC2)no1 8623522 NTTXENGPXCCYCF-HOTGVXAUSA-N 361.530 3.579 0 40 FHAB biogenic,in-vitro O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccccc2)on1)N1CCCCC1 8623653 LATYXWRWYGGWBY-OALUTQOASA-N 367.493 3.512 0 40 FHAB biogenic,in-vitro C[C@@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)C12CC3CC(CC(C3)C1)C2 10239933 LIUAOFDGNYJDIL-ZHHULCEESA-N 370.445 3.789 0 40 FHAB O=C(NCc1cccnc1)NC1(c2ccc(Br)cc2)CCC1 58219463 VPDBZMIKUDHLKZ-UHFFFAOYSA-N 360.255 3.723 0 40 FHAB Cc1nc(CN(C)C(=O)NCC2(c3ccccc3C)CCOCC2)cs1 58377633 WTKBYFDGJXCWFR-UHFFFAOYSA-N 373.522 3.650 0 40 FHAB CC(C)CN1CCC(NC(=O)N[C@H]2CCSc3ccc(F)cc32)CC1 45233602 IOBQKYOUIHYHFR-KRWDZBQOSA-N 365.518 3.782 0 40 FHAB c1cc2c(cc1-c1nc3c4c5c(sc4ncn3n1)CCCC5)OCO2 2436075 OHZVEUONCIXXFI-UHFFFAOYSA-N 350.403 3.614 0 40 FHAB CC(C)c1cccc(NC(=O)CN(C)Cc2ccc3c(c2)OCCO3)c1 11231705 WQPWMPHBLGYKDX-UHFFFAOYSA-N 354.450 3.652 0 40 FHAB Cc1sc(-c2ccco2)nc1C(=O)Nc1cccc(C(=O)NC2CC2)c1 29326199 BJLLWHKLRJIZNL-UHFFFAOYSA-N 367.430 3.856 0 40 FHAB CC(C)c1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(Cl)cc2)cc1 20061319 PFYODVJSULFLLQ-UHFFFAOYSA-N 367.854 3.743 0 40 FHAB Cc1ccccc1SCC(=O)O[C@@H](C)C(=O)Nc1ccc(N(C)C)cc1 3381585 NNLYQFJCJPCNGD-HNNXBMFYSA-N 372.490 3.724 0 40 FHAB Cc1cccc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)n1 24920402 ZZNMUSDGCWFQMV-UHFFFAOYSA-N 368.824 3.898 0 40 FHAB O=C(NCCc1ccccc1F)Nc1ccccc1CN1CCSCC1 61790252 XXFCGOGJZJWKMB-UHFFFAOYSA-N 373.497 3.739 0 40 FHAB COc1cccc(NC(=O)c2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)c1 28287003 UGCXYVKDRYRAFP-GFCCVEGCSA-N 350.374 3.926 0 40 FHAB CN(C(=O)Nc1nc(C2CC2)cs1)[C@H]1CCCN(c2ccccc2)C1=O 172055422 YVZYJTARGSDKNZ-INIZCTEOSA-N 370.478 3.680 0 40 FHAB CN(C)c1cccc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)c1 3400407 YYSFWRZGQWOTFR-UHFFFAOYSA-N 366.339 3.567 0 40 FHAB COC(=O)C1(NC(=O)COc2cc(Cl)ccc2Cl)CCCCCC1 12934281 LVFONRLDCSAPAC-UHFFFAOYSA-N 374.264 3.754 0 40 FHAB CCc1ccc(-c2n[nH]c(SCC(=O)N(C)C3CCCCC3)n2)cc1 3551292 PCBNPBBIPFLKSF-UHFFFAOYSA-N 358.511 3.917 0 40 FHAB CCOC(=O)c1cc2c3ccccc3n(C)c2nc1N1C[C@H](C)O[C@H](C)C1 13114530 RPBROAHTVQKQMQ-OKILXGFUSA-N 367.449 3.517 0 40 FHAB CCOc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)Nc3nc(N)nn32)cc1 13131834 QULAYSUMBXLMDD-IRXDYDNUSA-N 353.401 3.544 0 40 FHAB O=C(c1cnn(-c2ccccc2F)c1-n1cccc1)N1CCCCCC1 49549115 IPWUJVPNLMRTIB-UHFFFAOYSA-N 352.413 3.818 0 40 FHAB COc1ccc(OC[C@@H](O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 4160174 FFMKKPWMANJVTD-LBPRGKRZSA-N 366.339 3.504 0 40 FHAB COc1cc(CN[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc(OC)c1 26312745 ZIMCMFXIFSDIDA-NRFANRHFSA-N 357.450 3.962 0 40 FHAB CC[C@H](Oc1ccc(Br)cc1F)C(=O)Nc1cc(C)on1 9499369 PGXUQGVQVMWOJX-NSHDSACASA-N 357.179 3.681 0 40 FHAB COc1ccccc1-c1nnc(SCc2nc3ccccc3o2)n1C 14095000 YFFPWEJJIZAYSH-UHFFFAOYSA-N 352.419 3.924 0 40 FHAB COc1ccc([C@@H]2CCCN2Cn2nc3ccccn3c2=S)c(OC)c1 14182890 OUINHPNXTKMFME-INIZCTEOSA-N 370.478 3.677 0 40 FHAB COCCCn1c(C)cc(C(=O)COc2ccc3ccc(=O)oc3c2)c1C 4580090 PVPGABCKJVGEGF-UHFFFAOYSA-N 369.417 3.510 0 40 FHAB Cc1ccc(C(=O)CCC(=O)Nc2ccccc2N2CCCC2=O)s1 9449289 HTJMSBBZZFREQX-UHFFFAOYSA-N 356.447 3.785 0 40 FHAB COc1ccc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 6610818 ARCIQWLXEXCIKS-CYBMUJFWSA-N 356.447 3.551 0 40 FHAB COc1ccccc1C(=O)Nn1c(CCC(=O)O)ccc1-c1cccs1 4834791 KJZAUUPVAHMYED-UHFFFAOYSA-N 370.430 3.626 0 40 FHAB CCN1CCN(c2ccc(Cl)cc2NC(=O)c2cc(C)oc2C)CC1 9615913 PTVBVCNSCFHXNL-UHFFFAOYSA-N 361.873 3.944 0 40 FHAB CC(C)c1ncc(-c2nnnn2-c2ccc(Cl)cc2)c(C(F)(F)F)n1 16576002 XQQQWRXPNKEYCD-UHFFFAOYSA-N 368.750 3.915 0 40 FHAB O=C(NCc1ccco1)c1cn(Cc2ccccc2)nc1-c1cccnc1 8341880 GBYBOGNNNJOLGQ-UHFFFAOYSA-N 358.401 3.516 0 40 FHAB O=C(Nc1ccc(F)cc1)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 9049114 PCLOXDDOWURLNK-HNNXBMFYSA-N 365.408 3.798 0 40 FHAB O=S(=O)(Nc1nccs1)c1ccc(NCc2cccs2)cc1 62716559 CYJQQQXCTZFNME-UHFFFAOYSA-N 351.478 3.618 0 40 FHAB Cc1nn(-c2ccc(C(=O)NCc3ccc(Cl)cc3)cn2)c(C)c1C 62007253 QMSOICDYUDIHKE-UHFFFAOYSA-N 354.841 3.776 0 40 FHAB COc1ccc(-c2ccc(C)c(NC(=O)c3ccnc4c3ncn4C)c2)cn1 553657586 IYOCSBQBZXDUFN-UHFFFAOYSA-N 373.416 3.600 0 40 FHAB CC(C)c1ccc(-c2noc(CCC(=O)NCc3cccnc3)n2)cc1 23403851 AHGRUTNQLIWQDC-UHFFFAOYSA-N 350.422 3.504 0 40 FHAB O=C(CCn1cnc2sccc2c1=O)Oc1ccc(Cl)cc1Cl 32876670 DSDPGCZPQPIKKZ-UHFFFAOYSA-N 369.229 3.761 0 40 FHAB COCCCN1C(=O)S/C(=C/c2cc(Br)cs2)C1=O 409241397 XDXIVTISPOGFJT-UXBLZVDNSA-N 362.270 3.583 0 40 FHAB C[C@H](c1ccccc1)c1cc(C(=O)N2CC[C@H](Nc3ccccc3)C2)n[nH]1 528401311 ATLDOTXEOIKVFP-APWZRJJASA-N 360.461 3.888 0 40 FHAB CC(=O)OC[C@@]12CO[C@H](c3ccc4c(c3)OCO4)[C@@H](C(C)=C[C@H]1C)[C@H]2C 5527933 OTAZKNLOTKUEQR-WINKNHKLSA-N 358.434 3.884 0 40 FHAB biogenic O=C(O)c1ccc2c(c1)[C@@]1(C[C@@H]1c1ccc(Br)cc1)C(=O)N2 217477459 SGRFNIKUQSWNJU-CXAGYDPISA-N 358.191 3.525 0 40 FHAB COc1cc(OC)cc([C@@H](C(=O)O)N2CC=C(c3cccc(C)c3)CC2)c1 565310441 WZUCARQUTBHTMA-NRFANRHFSA-N 367.445 3.927 0 40 FHAB Cc1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1C 32125113 QGLNYDJOYDQBQU-UHFFFAOYSA-N 372.490 3.750 0 40 FHAB CC(C)Cn1ccc2c(NC(=O)Cc3n[nH]c(=O)c4ccccc34)cccc21 71288372 LWLJBSPZOACYKG-UHFFFAOYSA-N 374.444 3.715 0 40 FHAB CCOC(=O)c1cnc(-c2cccc(N)c2)nc1Nc1ccc(F)cc1 226103881 AQNFWXOFPCATBP-UHFFFAOYSA-N 352.369 3.785 0 40 FHAB CN(C)c1nc2ccc(NC(=O)C[C@@H]3OCCc4ccsc43)cc2o1 89326954 ZDFWRQVIGBGOAJ-HNNXBMFYSA-N 357.435 3.598 0 40 FHAB CCOc1ccc(NC(=O)c2snnc2-c2ccc(OC)cc2)cc1 225762524 JULQQJSTVIXJRZ-UHFFFAOYSA-N 355.419 3.865 0 40 FHAB CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cn1 225874118 MPXQRPDEEYWMKR-UHFFFAOYSA-N 358.413 3.696 0 40 FHAB CCOC(=O)/C=C/c1ccc(NC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 48065959 PDDXODPZJWPFGG-FMIVXFBMSA-N 373.497 3.694 0 40 FHAB CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 223440163 ABZPUJCJGBJMHQ-INIZCTEOSA-N 374.506 3.864 0 40 FHAB O=C(NCc1ccnc(N2CCCC2)n1)c1ccc(-c2ccccc2)cc1 224198125 NKPKOIZPLSGMPL-UHFFFAOYSA-N 358.445 3.674 0 40 FHAB Cc1ccccc1NC(=O)NCC1CCN(C(=O)c2ccccc2F)CC1 44006824 LJHRMPXBUZQTPH-UHFFFAOYSA-N 369.440 3.808 0 40 FHAB O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1ccsc1 225757805 LITYCXYAVKQMHS-UHFFFAOYSA-N 358.492 3.599 0 40 FHAB CCSc1nnc(NC(=O)Cc2cccc(Br)c2)s1 225624473 ZHWJVLZDGDJIOZ-UHFFFAOYSA-N 358.286 3.594 0 40 FHAB O=C(NCCOc1ccccc1)C1CCN(Cc2cccc(Cl)c2)CC1 224534003 CVEOPGDOMCEFFF-UHFFFAOYSA-N 372.896 3.747 0 40 FHAB c1ccc(CN2CCC3(CC2)CO[C@H](COCc2ccncc2)C3)cc1 96219346 RHMSTJWDMHUUBZ-NRFANRHFSA-N 352.478 3.670 0 40 FHAB CCN(Cc1ccc(C(=O)O)c(Cl)c1)[C@H]1CCN(c2ccccc2)C1=O 583939914 IUIHQAVTDSNMAE-SFHVURJKSA-N 372.852 3.666 0 40 FHAB Cc1n[nH]cc1C1CCN([C@H](C)C(=O)Nc2nc3ccccc3s2)CC1 585081365 NLSRMTMFZQOUKH-CYBMUJFWSA-N 369.494 3.534 0 40 FHAB CCC(=O)N1CCO[C@H](c2cc(Cc3cccc(Cl)c3)cc(C)n2)C1 257227969 FRUKNRUKFIMXMU-IBGZPJMESA-N 358.869 3.944 0 40 FHAB Cc1noc([C@@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)O)o3)C2)n1 257323996 WMSUXDCWIJBPND-CQSZACIVSA-N 367.405 3.716 0 40 FHAB CN(Cc1csc(Br)c1)Cc1cc2c(s1)CCNC2 710934646 IBOAKDLJDJLYMZ-UHFFFAOYSA-N 357.342 3.850 0 40 FHAB COC(=O)c1ccc(NC(=O)N2CC[C@H](c3ccc(OC)cc3)C2)c(C)c1 1321165551 FIVLFNNODACBNL-KRWDZBQOSA-N 368.433 3.812 0 40 FHAB COc1ccc(S(=O)(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c(C)c1C 605002154 REKNHOAMFIOUNI-STQMWFEESA-N 365.417 3.711 0 40 FHAB Cc1c[nH]nc1C(=O)N1CCC[C@@]1(C)Cc1ccc(OC(F)(F)F)cc1 618237418 AQRKAOOCAFBCTI-KRWDZBQOSA-N 367.371 3.854 0 40 FHAB C=CC(=O)Nc1cccc(C(=O)N2Cc3cccc(Br)c3C2)c1 1138500406 JZBUONPPCGMEHZ-UHFFFAOYSA-N 371.234 3.730 0 40 FHAB O=C(O)c1cccc(CN2CCC[C@H]2c2nccc(C(F)(F)F)n2)c1 656761987 YFNMETCUBUHCAW-ZDUSSCGKSA-N 351.328 3.531 0 40 FHAB COc1cccc([C@]2(C)CCN(C(=O)Nc3cccc4c3CCNC4)C2)c1 659017622 JGKOUBRDCIJGIS-JOCHJYFZSA-N 365.477 3.536 0 40 FHAB O=C1OCCN1c1cccc(CNCc2cc(Br)cs2)c1 48301137 LEGMIVQHOJSZPP-UHFFFAOYSA-N 367.268 3.757 0 40 FHAB O=C(Nc1c[nH]ccc1=O)c1ccccc1-c1ccc(Cn2cccn2)cc1 84514479 DGIIBMFMAGZCFV-UHFFFAOYSA-N 370.412 3.539 0 40 FHAB CN(C)c1cccc(C(=O)Nc2cnc(Cl)c(Br)c2)c1 95428263 SXFXDEHGWHLLIE-UHFFFAOYSA-N 354.635 3.816 0 40 FHAB Cc1ncc(C(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2cccc(F)c2)cn1 1615152550 AIZZREZGOIMYJF-OALUTQOASA-N 368.456 3.586 0 40 FHAB CC(C)(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 5007349 WWEFOGCIMGUDIU-XYOKQWHBSA-N 353.827 3.718 0 40 FHAB Cc1cc(=O)oc2c1c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 5587397 ZHRRRISCGAPGIO-UHFFFAOYSA-N 362.410 3.773 0 40 FHAB Cc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)C(C)(C)C)CC3)cc2n1 12160550 GJMFQKZUTZXDBX-UHFFFAOYSA-N 368.403 3.809 0 40 FHAB CC(C)(CC(=O)O)CC(=O)Nc1ccc(-n2cnc3ccccc32)cc1 12632234 VDQKPTRPALXQGQ-UHFFFAOYSA-N 351.406 3.855 0 40 FHAB CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 14154129 PHSJGEMMBZSZNV-UHFFFAOYSA-N 366.870 3.589 0 40 FHAB C[C@@H](OC(=O)c1ccc2c3c(cccc13)CC2)C(=O)NC1CCCCC1 15513286 HVMBPRHHLNCBED-CQSZACIVSA-N 351.446 3.933 0 40 FHAB CCOc1ccccc1C(=O)N1CCC[C@@H]1c1n[nH]cc1-c1ccncc1 19520067 IPCCUVUYKGCMFL-GOSISDBHSA-N 362.433 3.848 0 40 FHAB CCc1ccc(N2C[C@H](c3nc(COc4ccccc4)no3)CC2=O)cc1 109482488 FZCJCUVGIHNFBT-MRXNPFEDSA-N 363.417 3.732 0 40 FHAB CCN1CCN(c2cc(NC(=O)c3ccc(Cl)cc3)c(N)cc2C)CC1 226331062 FMFRKZRNKDXTDC-UHFFFAOYSA-N 372.900 3.625 0 40 FHAB O=C(COc1ccc(Cl)cc1Cl)NC1CCC(n2cccn2)CC1 618257049 PRJBDELBULATIT-UHFFFAOYSA-N 368.264 3.869 0 40 FHAB O=C1CCC[C@]2(CN(Cc3ccccc3)C[C@H]2c2ccc(F)c(F)c2)N1 19372598 VGKGNAFJKHFAEC-LAUBAEHRSA-N 356.416 3.603 0 40 FHAB CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(Cl)cc1 5510129 XTGWHGSCVBRGHB-UHFFFAOYSA-N 360.841 3.840 0 40 FHAB CCOC(=O)c1sc(NC(=O)CN(C)[C@H](C)c2ccccc2)cc1C 10128949 QZKMWAYUJHODCT-CQSZACIVSA-N 360.479 3.865 0 40 FHAB c1ccc(-c2nc(CN3CC[C@H]4CN(c5ccccn5)C[C@@H]43)cs2)cc1 1889205955 IFSFBMZUMINXBB-HKUYNNGSSA-N 362.502 3.916 0 40 FHAB Cc1cc(NC(=O)NC(=O)c2ccccc2Cl)n(-c2cccc(F)c2)n1 1427763 NCKMXIBSZVUOAG-UHFFFAOYSA-N 372.787 3.935 0 40 FHAB Cc1cccn2c(=O)nc(SCc3ccc(Cl)cc3Cl)nc12 4504231 CVWIQLUAZXOEPQ-UHFFFAOYSA-N 352.246 3.997 0 40 FHAB O=C(CSC1CCCC1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225728567 IMPYCHFYIADZHH-CYBMUJFWSA-N 374.428 3.756 0 40 FHAB COC(=O)CCCC(=O)c1ccc(Br)c(C(F)(F)F)c1 575362655 SGOZSZZWEGWEAH-UHFFFAOYSA-N 353.134 3.994 0 40 FHAB Cc1nn(CCNC(=O)[C@@H](C)Oc2ccccc2)c(C)c1-c1ccsc1 575616077 VRQIYYXTZGFUDW-MRXNPFEDSA-N 369.490 3.812 0 40 FHAB Cc1cc(C)n([C@@H](CNC(=O)c2ccc3ncsc3c2)c2ccco2)n1 585148144 NVQYOQVKFKRQNX-INIZCTEOSA-N 366.446 3.722 0 40 FHAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Nc1ccccc1C(=O)O 9002238 OQQOVJQWMCDDLR-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB COc1ccc([C@H](CNCc2cc(OC)cc(OC)c2)N2CCCC2)cc1 22787458 YURUEYMHJLMTJB-QFIPXVFZSA-N 370.493 3.639 0 40 FHAB O=C(CNc1ccccc1N1CCc2ccccc2C1)NCc1ccco1 40071596 ZVGLNXISLYFYHL-UHFFFAOYSA-N 361.445 3.571 0 40 FHAB O=C(COC(=O)c1ccccc1)Nc1cc(C2CC2)nn1-c1ccccc1 40057230 COIGUKUBSFTMNE-UHFFFAOYSA-N 361.401 3.545 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1 20427321 YAUXHJHPABATNP-KBXCAEBGSA-N 358.825 3.507 0 40 FHAB O=c1[nH]c(=S)n(-c2ccc(Cl)cc2)c2c1CN(C1CCCC1)CN2 20567746 YQWPSEVXFZTWBS-UHFFFAOYSA-N 362.886 3.676 0 40 FHAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1-n1cccc1 32105072 JMIHUZRZJVNBIK-UHFFFAOYSA-N 359.473 3.872 0 40 FHAB Cc1ccccc1CNC(=O)COc1ccc(-c2nc(C(C)C)no2)cc1 32578793 NFDIEYTWGHQURH-UHFFFAOYSA-N 365.433 3.864 0 40 FHAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NCc1cccc3ccccc13)C(=O)C2 102103687 OZFPAOAQZUHFGQ-LAUBAEHRSA-N 371.502 3.655 0 40 FHAB O=C(CSc1nnc(SCc2ccccc2)s1)NC1CCCC1 32944930 XGHYTNXBIAQOEC-UHFFFAOYSA-N 365.549 3.981 0 40 FHAB CC[C@H]1CCCCN1C(=O)[C@@H](C)S(=O)(=O)Cc1cccc2ccccc12 32929918 PWZSHMMSHRNTNX-APWZRJJASA-N 373.518 3.934 0 40 FHAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc2ccccc2c1 21962741 IMROYEDZWIZGEE-FQEVSTJZSA-N 358.397 3.747 0 40 FHAB in-vitro CN(C)CCCN(Cc1cccs1)C(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 103136780 BYCSHSDYSQBKOA-YQQAZPJKSA-N 351.585 3.565 0 40 FHAB CCN1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1 54232983 UWUDCQQAISVQOP-UHFFFAOYSA-N 357.504 3.803 0 40 FHAB Cc1cc(Nc2ccccc2C(=O)O)nc(Nc2ccccc2C(=O)O)n1 2315199 IEOOGHVXFIFRSY-UHFFFAOYSA-N 364.361 3.669 0 40 FHAB C[C@]1(C(=O)Nc2ccc(OC(F)(F)F)cc2)Cc2ccccc2C(=O)O1 7473962 PHHASSCRRALOFV-QGZVFWFLSA-N 365.307 3.696 0 40 FHAB COc1cccc(-c2nc3c(C)cccn3c2NC[C@@H]2CCCO2)c1OC 883881 YFPNPQDITADTQX-HNNXBMFYSA-N 367.449 3.918 0 40 FHAB CCN(CCO)c1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 2406699 WTRXVRKRJVLUJG-UHFFFAOYSA-N 356.495 3.670 0 40 FHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(OC(C)C)cc1 6219948 IECMVOWLMPQTTI-UHFFFAOYSA-N 373.405 3.530 0 40 FHAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccccc1 6507705 JFQRDISGJPSLDH-SFHVURJKSA-N 352.459 3.960 0 40 FHAB NC(=O)[C@@H](OC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 11239458 QJVFUQURVLICKY-QFIPXVFZSA-N 359.425 3.978 0 40 FHAB O=C(NCc1ccco1)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 11558980 ONLYXCBRAHHSDS-UHFFFAOYSA-N 368.393 3.658 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)Nc1cccc(CN2CCCC2=O)c1 29286961 FZSPUIYUMCACEZ-UHFFFAOYSA-N 361.445 3.862 0 40 FHAB CCOc1ccc(CNn2c(-c3ccccc3)n[nH]c2=S)cc1OC 8324757 BXDMHQYPBGBETH-UHFFFAOYSA-N 356.451 3.759 0 40 FHAB Cc1ccc(C)c(NC(=O)COC(=O)CCC(=O)Nc2ccccc2C)c1 8415824 GEPYHEGRRPKRQF-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB O=C(NC1CCCCC1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1 8586320 WGZUZERPBIOGFD-UHFFFAOYSA-N 368.481 3.710 0 40 FHAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCCc1nnc2ccccn12 20732471 HBULLBGBSTWQFI-UHFFFAOYSA-N 370.456 3.688 0 40 FHAB CC(=O)CC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 101408987 SELWIXURMVDWHY-UHFFFAOYSA-N 350.370 3.842 0 40 FHAB Cc1cccn2cc(COc3ccccc3C(=O)NCc3ccccn3)nc12 29517043 AAKVZEXXDKFMJZ-UHFFFAOYSA-N 372.428 3.547 0 40 FHAB O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)Nc1ccc(F)cc1 9198040 WSEVDQHRYJRESD-UHFFFAOYSA-N 362.817 3.995 0 40 FHAB COc1ccc2cc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)oc2c1 2686652 LBZCOYMCMYAPTQ-UHFFFAOYSA-N 372.442 3.932 0 40 FHAB CCNc1nn(-c2nc(C)cc(C)n2)c2c1C(=O)C[C@H](c1ccccc1)C2 9936484 HZUUGRWSPCSWPU-MRXNPFEDSA-N 361.449 3.624 0 40 FHAB CC(C)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 41272941 ZAFXLXQYKQUDAP-QWHCGFSZSA-N 372.387 3.650 0 40 FHAB CC(=O)N1CCc2cc(C(=O)Nc3ccc(-c4cnc(C)o4)cc3)ccc21 29858241 OAJYVAAMFCBJMR-UHFFFAOYSA-N 361.401 3.811 0 40 FHAB COC(=O)[C@H](c1ccccc1Cl)N1CCO[C@H](c2ccc(F)cc2)C1 46577516 ZSUHWVDFGFSSPT-ROUUACIJSA-N 363.816 3.767 0 40 FHAB CC(=O)N[C@H]1C(=O)N(CCCOc2cccc3ccccc23)c2ccccc21 100485424 VYQBNYNOVCKFHJ-JOCHJYFZSA-N 374.440 3.833 0 40 FHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCCCCC1 20495001 BJKLCQBTCUHONT-SFHVURJKSA-N 352.906 3.880 0 40 FHAB O=C(c1cc(-c2cccs2)on1)N1CCN(Cc2ccccc2F)CC1 23237105 XOHUWDGNROVYJR-UHFFFAOYSA-N 371.437 3.500 0 40 FHAB CCCCc1nc(C)c(C(=O)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)s1 43037280 RAGWUMXFQQCXMZ-NSHDSACASA-N 373.478 3.616 0 40 FHAB Cc1ccc(F)c(NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)c1 21248669 YTHJBZYRKUVKGU-UHFFFAOYSA-N 354.425 3.933 0 40 FHAB COc1cccc(O[C@@H](C)C(=O)NCCSCc2ccc(C)cc2)c1 22511643 LPZUOSXPFIHYOS-INIZCTEOSA-N 359.491 3.821 0 40 FHAB NC(=O)c1ccc(Cl)c(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)c1 26541587 RHDWOHOGKBURAU-BQYQJAHWSA-N 371.245 3.505 0 40 FHAB CC(C)c1ccc(-n2nnnc2C2(N(C)C)C3CC4CC(C3)CC2C4)cc1 35622715 VOPQMQGYALCKBO-UHFFFAOYSA-N 365.525 3.999 0 40 FHAB O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1C(F)(F)F)c1ccco1 58166400 HUCJNFFJGOUTQM-ZDUSSCGKSA-N 368.311 3.668 0 40 FHAB Cc1ccc([C@@H](CNC(=O)COc2ccccc2)N2CCCCC2)cc1 27583949 LKUWRPIOWKLLTF-OAQYLSRUSA-N 352.478 3.717 0 40 FHAB Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c(O)c1 10123565 IOABAJILDJSVHF-UHFFFAOYSA-N 351.381 3.766 0 40 FHAB Cc1cc(C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)c2ccccc2n1 3393945 GTRGVKNYPFEAFN-FQEVSTJZSA-N 374.440 3.894 0 40 FHAB O=C(Cc1ccc(Br)cc1)NCCc1c[nH]c2ccccc12 10214566 GNRAXMTWPNRGOX-UHFFFAOYSA-N 357.251 3.832 0 40 FHAB Fc1ccc(CSc2nnc(N3CCOCC3)n2-c2ccccc2)cc1 10200409 VCFYXZRFVNUWCI-UHFFFAOYSA-N 370.453 3.535 0 40 FHAB C[C@H](Sc1nncn1C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3395123 SFXNYBQMIZMRDB-ZETCQYMHSA-N 364.780 3.607 0 40 FHAB Cc1ccc([C@@H](CC(=O)O)NC(=O)Cc2ccc3c(c2)CCCC3)cc1 12886267 IRCYEUOLXYXORC-HXUWFJFHSA-N 351.446 3.749 0 40 FHAB COc1ccc(CNC(=O)CSc2nc3cc(Cl)ccc3[nH]2)cc1 3501272 FUCOXHOGJFTVBR-UHFFFAOYSA-N 361.854 3.633 0 40 FHAB CCCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)NC1=S 3662789 SNDXIZMFRBLADL-LGMDPLHJSA-N 352.459 3.733 0 40 FHAB C[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc(Cl)cc1Cl 13019832 BWURPWMCPZWWMJ-SECBINFHSA-N 365.216 3.815 0 40 FHAB O=C(Nc1ccc2c(c1)OCCCO2)Nc1ccc2c(c1)OCCCO2 13012334 GUZOMQSLQSTHKY-UHFFFAOYSA-N 356.378 3.653 0 40 FHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(C(F)(F)F)c1 13135275 LVNRMKVKMGTALT-UHFFFAOYSA-N 357.353 3.670 0 40 FHAB CC(C)NC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7791040 DUQXOPRVKIMQIP-LBPRGKRZSA-N 369.494 3.767 0 40 FHAB O=C(NCc1cccnc1)c1ccccc1C(=O)c1ccc(Cl)cc1 8383046 QYQGUGHQMRWFDD-UHFFFAOYSA-N 350.805 3.896 0 40 FHAB Clc1cccc(-c2noc(CCN3CCC[C@H](c4ncc[nH]4)C3)n2)c1 80959822 SUAWBYXBZKYMQY-AWEZNQCLSA-N 357.845 3.535 0 40 FHAB O=C1c2ccccc2N[C@@H](c2ccc(O)cc2)N1c1ccc2c(c1)OCO2 7885005 VFKDBKDXGISOFC-HXUWFJFHSA-N 360.369 3.892 0 40 FHAB COc1ccc(CCNC(=O)CSCc2cc(C)cc(C)c2)cc1OC 20237920 JNKRKYRWYYYGRO-UHFFFAOYSA-N 373.518 3.913 0 40 FHAB Cc1c(NC(=S)Nc2ccc(F)cc2F)c(=O)n(-c2ccccc2)n1C 13840002 WLFRXPBSCSVZLY-UHFFFAOYSA-N 374.416 3.572 0 40 FHAB C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc(CN2CCCC2=O)cc1 81398304 DEHPVBKVXBLGAK-HNNXBMFYSA-N 356.491 3.574 0 40 FHAB Cc1ccnn1-c1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1 8075071 DUGMMNLWWJYTKF-UHFFFAOYSA-N 360.417 3.560 0 40 FHAB CC(=O)N[C@H]1C(=O)N(Cc2ccccc2OC(C)C)c2ccc(C)cc21 8047451 GFVLUGFWSCFVPN-HXUWFJFHSA-N 352.434 3.506 0 40 FHAB O=c1[nH]c(CSCCOc2ccccc2)nc2sc3c(c12)CCC3 14093693 XWIAAYNWJLUVEM-UHFFFAOYSA-N 358.488 3.786 0 40 FHAB Cc1ccccc1-n1nnnc1SCc1cc(Cl)c2c(c1)OCCO2 14139155 PYFVBDNGZVPVDC-UHFFFAOYSA-N 374.853 3.688 0 40 FHAB C[C@H]1CCCCN1CCCNC(=O)Cc1csc(-c2ccccc2)n1 14226239 ZMUXQFHYJODAIZ-INIZCTEOSA-N 357.523 3.733 0 40 FHAB C[C@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)N1CCc2ccccc21 6558517 DAVSDIYQRKYRIZ-DBTPVHCXSA-N 372.424 3.769 0 40 FHAB CCCCc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2C)cc1 6789705 SJMUOCORMLSUPB-UHFFFAOYSA-N 372.416 3.907 0 40 FHAB O=C(Cc1n[nH]c(=O)c2ccccc12)Oc1ccc(-c2ccccc2)cc1 14831253 PROQKABCXVFHFW-UHFFFAOYSA-N 356.381 3.738 0 40 FHAB Cc1cccc(NC(=S)NC(=N)Nc2nc(C)c3cc(C)ccc3n2)c1 17195318 SZEAPMQKQDLLFN-UHFFFAOYSA-N 364.478 3.888 0 40 FHAB CCS(=O)(=O)c1ccc(NC(=O)COc2cccc3ccccc23)cc1 8726651 CMRSUOVVSYEGMT-UHFFFAOYSA-N 369.442 3.651 0 40 FHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N[C@@H]1CCc2ccccc21 8774611 PZPYEVJRKPIPLE-QGZVFWFLSA-N 351.381 3.612 0 40 FHAB C[C@H](NC(=O)c1ccccc1)C(=O)OCc1ccc(Cl)c(Cl)c1 9584726 AIJHQVGKOXDLKM-NSHDSACASA-N 352.217 3.855 0 40 FHAB CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc2ccc(=O)oc2c1 9085258 RPWBNNFRZQWMEE-GFCCVEGCSA-N 355.415 3.921 0 40 FHAB CSc1nc(N2CCCC2)c2cc(C(=O)NC3CCCC3)sc2n1 408618813 GWVBXOWTEZGVHJ-UHFFFAOYSA-N 362.524 3.686 0 40 FHAB O=c1[nH]c(-c2ccncc2)nc2sc3c(c12)CCN(Cc1ccccc1)C3 19926543 BIKOXNFPOWMFFE-UHFFFAOYSA-N 374.469 3.605 0 40 FHAB CCc1cc2c(=O)n(CC(=O)c3ccc(OC(F)F)cc3)cnc2s1 9390265 JJGBTXBYTDMEAI-UHFFFAOYSA-N 364.373 3.505 0 40 FHAB O=C(COc1ccccc1C(F)(F)F)c1c[nH]c(C(=O)N2CCCC2)c1 9337665 UZIUKLSJJMKARI-UHFFFAOYSA-N 366.339 3.531 0 40 FHAB COC(=O)N1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 83891400 DIBYZZDFOLJZJT-UHFFFAOYSA-N 362.813 3.514 0 40 FHAB C[C@H](NC(=O)COc1cccc(F)c1)c1nc2ccccc2n1C(F)F 9757909 OCRTUACJUHAMAG-NSHDSACASA-N 363.339 3.827 0 40 FHAB O=C(c1ccnc2ccccc12)N1CCN(c2cccc(Cl)c2)CC1 72752274 HJRFKGDELHYENQ-UHFFFAOYSA-N 351.837 3.851 0 40 FHAB Cc1ccnc(NC(=O)c2ccc(Cn3nc(C(F)(F)F)cc3C)o2)c1 27934816 WRTZWSGZXIPDCY-UHFFFAOYSA-N 364.327 3.807 0 40 FHAB CN(C(=O)c1cnsn1)[C@@H]1CCSc2ccc(Br)cc21 95947733 BPFKUMCGZHJJNC-LLVKDONJSA-N 370.297 3.610 0 40 FHAB CCC[C@H](N[C@H](C)Cc1ccc(OC)c(OC)c1)C(=O)OC(C)(C)C 95943445 CMENPTNVFKAYDT-ZBFHGGJFSA-N 351.487 3.735 0 40 FHAB COc1ccc(-c2nc(C(=O)Nc3nc(C)cs3)cs2)cc1OC 9908753 JBBUAIZVVHIQGL-UHFFFAOYSA-N 361.448 3.845 0 40 FHAB O=C1c2cccn2[C@@H]2CN(Cc3cccs3)C[C@@H]2N1Cc1ccccc1 306126457 DWKFGAQYSHQECN-UXHICEINSA-N 363.486 3.631 0 40 FHAB COc1cc2ncn(Cc3c(Cl)cccc3Cl)c(=O)c2cc1OC 20744468 SAIMEUMTDUEAAX-UHFFFAOYSA-N 365.216 3.769 0 40 FHAB COc1ccc2[nH]c(C(=O)Nc3ccc(OCCN(C)C)cc3)c(C)c2c1 524733528 RRWLSSLEBFODHA-UHFFFAOYSA-N 367.449 3.678 0 40 FHAB COC(=O)COc1ccccc1[C@@H]1CC(O)=Nc2c1cnn2C1CCCC1 71279284 DMOVFMJCUOROLW-HNNXBMFYSA-N 369.421 3.674 0 40 FHAB C[C@H](C(=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[C@@]21C 123302099 NVSBPOIDOGLQAT-QLFCPDFDSA-N 362.510 3.906 0 40 FHAB Cc1cccc(N2CCN(CCCNC(=O)c3cccc(C)c3C)CC2)c1 32824788 GHZYLFMBQVXAIN-UHFFFAOYSA-N 365.521 3.554 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H](C)Nc1ccc2c(c1)OC(F)(F)O2 30005922 UACLCNNSQNPIIT-LLVKDONJSA-N 364.348 3.846 0 40 FHAB Cc1ccc(CN2CCC(c3cc(O)nc(-c4ccccn4)n3)CC2)o1 72392818 FOZKZNUFLYSOBP-UHFFFAOYSA-N 350.422 3.525 0 40 FHAB COc1ccc(CNC(=O)CCCN2C(=O)c3cccc4cccc2c34)cc1 219456192 JUGSEYFGHHZCBR-UHFFFAOYSA-N 374.440 3.905 0 40 FHAB CCN1CCCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 72216478 RZQQKVMONTYONF-GOSISDBHSA-N 374.529 3.686 0 40 FHAB CNc1ccccc1C(=O)Nc1ccc(I)cc1 41636392 IGUZQQIPMAZCRG-UHFFFAOYSA-N 352.175 3.585 0 40 FHAB CC(=O)Oc1cc2c(s1)CCN([C@H](C(=O)C1CC1)c1ccc(F)cc1)C2 77292762 XKXRRKWLOOSELF-IBGZPJMESA-N 373.449 3.891 0 40 FHAB in-vitro COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1 225133534 SURZFCMFVMSADC-UHFFFAOYSA-N 372.446 3.913 0 40 FHAB COc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c2cccnc12 225872207 OJXHGHZOMZUOBC-UHFFFAOYSA-N 362.429 3.930 0 40 FHAB CCC[C@H](C)NC(=O)c1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1 224361081 YMKOTRNWVDCRJE-INIZCTEOSA-N 374.506 3.820 0 40 FHAB CS(=O)(=O)Cc1ccc(C(=O)N2CCCCCc3ccccc32)cc1 329545566 GSHXGZNJTRBRCF-UHFFFAOYSA-N 357.475 3.604 0 40 FHAB COc1ccc(CSCC(=O)NCCOc2ccc(C)cc2C)cc1 223432860 XHTISPPFPIWJEA-UHFFFAOYSA-N 359.491 3.740 0 40 FHAB COc1cc(C)nc(NC(=S)NCC2(c3ccccc3)CCCC2)n1 225972047 NZHNXDUBMFSPMF-UHFFFAOYSA-N 356.495 3.592 0 40 FHAB CC[C@H](C)Oc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1C(=O)OC 225783422 PCHQQSYWUVIDTA-QMMMGPOBSA-N 368.644 3.959 0 40 FHAB Clc1ccc(Cl)c(Nc2ncnc3c2cnn3C2CCNCC2)c1 228935524 OXCOYFXTGRHPRG-UHFFFAOYSA-N 363.252 3.801 0 40 FHAB COc1ccc2nc(N3CCC[C@H](C(=O)Nc4cccnc4)C3)sc2c1 85474012 XPLGNNSYQYUJPP-ZDUSSCGKSA-N 368.462 3.555 0 40 FHAB CCC(C)(C)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1 223944811 VOXQVEFNSNHFQX-UHFFFAOYSA-N 360.479 3.714 0 40 FHAB CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2cc(Cl)ccc2C)c1 225967561 SABPATMJSUZPQY-UHFFFAOYSA-N 366.870 3.687 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)Cc2ccc(Cl)cc2F)cc1 223633708 DTNXZPVBVGUING-LBPRGKRZSA-N 351.805 3.614 0 40 FHAB COc1ccc(NC(=S)NCCCc2cccc(OC(C)C)c2)cn1 225566873 ZVUCCHRZTFRPMC-UHFFFAOYSA-N 359.495 3.797 0 40 FHAB O=C(NC[C@H]1CCOC2(CCC2)C1)Nc1ccc(N2CCCCC2)nc1 333828620 LDWCJEBFNARIDZ-INIZCTEOSA-N 358.486 3.543 0 40 FHAB CC(C)n1cc(CC(=O)N[C@@H](C)c2nnc3ccccn23)c2ccccc21 95475670 KDBBOJUERICUIM-HNNXBMFYSA-N 361.449 3.685 0 40 FHAB COCCN(Cc1ccsc1)C(=O)c1cc(-c2ccc(F)cc2)nn1C 77200835 MOIMHDZGQLLADA-UHFFFAOYSA-N 373.453 3.577 0 40 FHAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)C1CCN(Cc2c(F)cccc2Cl)CC1 250785467 MCWFQUWSFATRBT-ZUEVXXBESA-N 364.892 3.996 0 40 FHAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(Cc4ccccn4)[C@@H]3C[C@H]21 257226401 FKNDCRATCMJZLX-UKAVVXHISA-N 350.462 3.973 0 40 FHAB Cc1c(C)n(CCC(=O)N2CC[C@H]3[C@@H]2CCCCN3C)c2ccccc12 257320223 VVVPOEPWPDPVIC-SFTDATJTSA-N 353.510 3.733 0 40 FHAB O=C(O)c1cccc2c1CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)CC2 649258596 XFNZTQRMWLWYPQ-OLZOCXBDSA-N 355.356 3.638 0 40 FHAB C[C@@H](Cc1nc(Cc2ccn(-c3c(F)cccc3F)n2)no1)C(F)(F)F 599152122 PCQOZUQFNCWVGQ-VIFPVBQESA-N 372.297 3.865 0 40 FHAB FC(F)(F)c1cc(-c2ccco2)nnc1NC[C@@H]1Cc2ccccc2CN1 1142876150 KTEUTJFBDYTGDK-AWEZNQCLSA-N 374.366 3.882 0 40 FHAB Cc1cccc2c1OCC[C@H]2NC(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]21 664738865 WHZRNJJVMPLKLX-ZSYWTGECSA-N 352.409 3.595 0 40 FHAB O=C1[C@@H]([C@H](O)c2ccc(Cl)cc2)C(C(F)(F)F)=NN1c1ccccc1 100355065 CDTSINXPPVQPJV-UONOGXRCSA-N 368.742 3.955 0 40 FHAB biogenic CC(C)(C)c1cc(NC(=O)Cc2csc(CN)n2)c2ncccc2c1 1122089388 KCBRXBFQGLIIRL-UHFFFAOYSA-N 354.479 3.629 0 40 FHAB COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)CCC(=O)O)c1 668314621 UJSXETMEIXUBGM-GHTZIAJQSA-N 353.418 3.617 0 40 FHAB Cn1c(CN2CCOc3ccccc3C2)nc2ccc(Br)cc21 681593544 IRAQDEAGCJVIMW-UHFFFAOYSA-N 372.266 3.730 0 40 FHAB COC(=O)c1cc(NCC(=O)N[C@H](C)c2ccc(C)c(C)c2)ccc1F 58010722 NIMCVGJEKMDJQE-CQSZACIVSA-N 358.413 3.518 0 40 FHAB CCN(CC(C)C)C(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 58370510 KHPUMVYQTAMJSG-QGZVFWFLSA-N 352.887 3.773 0 40 FHAB O=C(Nc1ccc(Cl)cc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 5604871 UVGJZZJMFQCHDN-INIZCTEOSA-N 357.797 3.639 0 40 FHAB CCOC(=O)c1cccc(N[C@H]2SC(=O)N(c3ccc(F)cc3)C2=O)c1 12136904 SONZDLLZYDQNPY-HNNXBMFYSA-N 374.393 3.640 0 40 FHAB CCCc1nn(CC(=O)Nc2cc(C)ccc2C)c(=S)n1-n1cccc1 16806795 UYYCFSAQCBFDDU-UHFFFAOYSA-N 369.494 3.735 0 40 FHAB COc1ccc(C(=O)Nc2cccc(-c3cn4cccc(C)c4n3)c2)cn1 19719159 NODCNIGJBDIXJX-UHFFFAOYSA-N 358.401 3.966 0 40 FHAB COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)c1 7065855 WDMYIIVFCCKEQN-MDWZMJQESA-N 372.808 3.911 0 40 FHAB O=C(c1nc2ccccc2s1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 220749306 OYAXXXRQIPSFOM-GFCCVEGCSA-N 368.462 3.652 0 40 FHAB Cc1cc(NS(=O)(=O)c2ccccc2)ccc1-c1ccc(C(=O)O)o1 226352907 SAMMHCLTHXTXLF-UHFFFAOYSA-N 357.387 3.754 0 40 FHAB CC(=O)Nc1ccc(NC(=O)CSc2nccn2-c2ccccc2)cc1 27485781 LXLQLODZXKJKET-UHFFFAOYSA-N 366.446 3.562 0 40 FHAB Cc1ccc2c(c1)CCCN2S(=O)(=O)c1cccc2cc(C)cnc12 29377179 QBYXRCBLKFBBFU-UHFFFAOYSA-N 352.459 3.993 0 40 FHAB CCOc1ccc2nc(N3CCC(NC(=O)C(C)(C)C)CC3)sc2c1 2087136708 KYPHMEYZSLHZRZ-UHFFFAOYSA-N 361.511 3.826 0 40 FHAB CC(C)(C)C(=O)N1CCc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc21 13695339 OZRXINDLJAZQHP-UHFFFAOYSA-N 366.417 3.603 0 40 FHAB Cc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCCCC3)c(O)n2n1 22626045 VBQBWESYIWTROQ-CQSZACIVSA-N 364.421 3.658 0 40 FHAB Cc1cccc(OC[C@H]2CCCN(C(=O)NCc3ccc(F)cc3)C2)n1 1775971067 MIEGDCBGLHMZDA-KRWDZBQOSA-N 357.429 3.530 0 40 FHAB Cc1nc2sc([C@H](c3ccc(F)cc3)N3CCC[C@H](C)C3)c(O)n2n1 23157452 ZKQVYCGRFVCSRZ-NHYWBVRUSA-N 360.458 3.765 0 40 FHAB Cc1ccc(N2N=N[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]32)cc1C 23125653 OFGUCQMPCWBOCQ-IAGOWNOFSA-N 368.824 3.763 0 40 FHAB Cc1ccc(CC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c(C)c1 5268046 WIYJDTKHEOUFFP-UHFFFAOYSA-N 356.491 3.914 0 40 FHAB NCc1cccc(C(=O)O)c1C(=O)OCC1c2ccccc2-c2ccccc21 71606452 ANHGQHVOYUYGOI-UHFFFAOYSA-N 373.408 3.813 0 40 FHAB COc1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 820729 KBUAMFKYQCLQAX-UHFFFAOYSA-N 372.380 3.748 0 40 FHAB Cc1ccc(CNC(=O)c2cnc(-c3ccccn3)nc2C(F)(F)F)cc1 1387148 RHVTWQDPVGVTME-UHFFFAOYSA-N 372.350 3.796 0 40 FHAB Cc1nn(CC(=O)N2CCCC[C@H]2c2cccnc2)c2c1[C@H]1[C@@H](C2)C1(C)C 2090814 CFHSVXWZTYDVSM-LLGFUMIMSA-N 364.493 3.636 0 40 FHAB biogenic Cc1ccc(N2C(=O)N[C@](c3ccc(F)cc3)(C(F)(F)F)C2=O)cc1 2192460 UAMNYSQQBCRUFR-INIZCTEOSA-N 352.287 3.648 0 40 FHAB CCOc1ccc([C@@H]2C[C@H](c3ccccc3OC)n3ncnc3N2)cc1 2369343 JJVIPUHAVYLQPG-ZWKOTPCHSA-N 350.422 3.832 0 40 FHAB COc1ccc(-c2noc(CCC(=O)Nc3cc(C)ccc3C)n2)cc1 2380681 UKYOLWZINMLAEU-UHFFFAOYSA-N 351.406 3.933 0 40 FHAB COc1ccccc1-n1cnnc1SCc1nnc(-c2ccccc2)o1 2616429 ZXOUMFMYMMIKGS-UHFFFAOYSA-N 365.418 3.618 0 40 FHAB O=S(=O)(c1ccccc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 2693013 ZRIXPDGJVFAQCF-UHFFFAOYSA-N 371.289 3.504 0 40 FHAB Cc1cnn([C@H](C)c2nnc(Nc3ccn(Cc4ccccc4)n3)s2)c1 2730724 SNMHURDGDUBRHK-CQSZACIVSA-N 365.466 3.641 0 40 FHAB COC(=O)c1cnn2c1N[C@H](c1ccc(Cl)cc1)C[C@H]2C(F)(F)F 2781062 NSLNNVKGBGTXHE-RYUDHWBXSA-N 359.735 3.983 0 40 FHAB CCOc1cc(/C=C2/N=C(c3ccccc3C)OC2=O)ccc1OC(C)=O 3099241 YVADZDFSDRMMEJ-GZTJUZNOSA-N 365.385 3.664 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)c1cccs1 3217255 GBTSFWGHOFZXEP-UHFFFAOYSA-N 365.838 3.855 0 40 FHAB C[C@H](NC(=O)COC(=O)CCCc1c[nH]c2ccccc12)c1ccccc1 3234773 UKSQLFYNXLNWQQ-INIZCTEOSA-N 364.445 3.911 0 40 FHAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cc[n+]([O-])cc1 3322698 NNSVSBQGXFNENW-UHFFFAOYSA-N 365.355 3.581 0 40 FHAB Cc1ccccc1-n1cnnc1SCC(=O)Nc1ccc2c(c1)CCC2 4510145 PKOABHHHFOWQCV-UHFFFAOYSA-N 364.474 3.795 0 40 FHAB CCn1c2ccccc2c2cc(NC(=O)CSc3nncn3C)ccc21 4867290 CPIYHFYRSDDTPL-UHFFFAOYSA-N 365.462 3.674 0 40 FHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(C)cc2)n2nnnc2N1 4878724 QKLBIMJZMYQFAT-IBGZPJMESA-N 374.448 3.526 0 40 FHAB Cc1ccc(C(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c(C)c1 4932712 MYFXURXVWWULCU-UHFFFAOYSA-N 360.339 3.859 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 4933036 NHMOFPKEXGYAIU-OAHLLOKOSA-N 373.456 3.714 0 40 FHAB Cc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2O)n[nH]1 5520426 CNGYIHMASZWUQI-UHFFFAOYSA-N 354.435 3.525 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)COC(=O)CCC1CCCCC1 5987413 VMLNWFCMQISQNU-UHFFFAOYSA-N 361.438 3.706 0 40 FHAB CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1C)C1CCCCC1 6139280 IFQMWUAHTPMPMJ-CQSZACIVSA-N 373.526 3.539 0 40 FHAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc2c(c1)OCCO2 6333062 RPGRHCFRDRPQBZ-UHFFFAOYSA-N 355.724 3.965 0 40 FHAB COc1cc(OC)cc(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)c1 6987418 AIINZZIFZOKPFS-UHFFFAOYSA-N 374.780 3.764 0 40 FHAB C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1c(F)cccc1F 7260088 VEORWYPKUXCODV-MRVPVSSYSA-N 366.418 3.931 0 40 FHAB Cc1ccc2cc(Cn3nnc4ccccc4c3=O)c(Cl)nc2c1C 7295276 KOOULXCKZZDGII-UHFFFAOYSA-N 350.809 3.658 0 40 FHAB C[C@@H]1CCCCN1C(=O)CSc1nnc(Nc2cccc(F)c2)s1 7577102 ZCYWSUSTEHIAHZ-LLVKDONJSA-N 366.487 3.914 0 40 FHAB Cc1cc(C(=O)CSc2nnc(C(C)C)n2Cc2ccco2)c(C)n1C 8756312 ZSRHPYOWNXHOOA-UHFFFAOYSA-N 372.494 3.973 0 40 FHAB O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)Nc1ccncc1 8990805 AGVNDWWERHVILN-UHFFFAOYSA-N 372.380 3.873 0 40 FHAB biogenic O=C(C[C@@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1ccco1 9926202 LTTKKXUACXSQCB-LNLBBOMNSA-N 373.408 3.800 0 40 FHAB O=c1cc(CN2CCC(c3c[nH]c4ccccc34)CC2)nc2sccn12 10140190 HACVRKNJOJGZDP-UHFFFAOYSA-N 364.474 3.617 0 40 FHAB CC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1 10873624 YGSNGWKKFNTKNY-KYGZHNPESA-N 369.461 3.976 0 40 FHAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(F)cc3)ccc21 10972208 QCLXMQCIZVAOPS-UHFFFAOYSA-N 356.397 3.850 0 40 FHAB COc1cc(NC(=O)c2cc3c(s2)CCC3)ccc1N1CCCC1=O 11446977 UHAXVFWCDFZLAP-UHFFFAOYSA-N 356.447 3.625 0 40 FHAB Cc1[nH]c2ccc(C(=O)NCCc3cnn(-c4ccccc4)c3)cc2c1C 11531377 CGKCFHMDUFKBCG-UHFFFAOYSA-N 358.445 3.943 0 40 FHAB O=C(Cc1csc(COc2ccc(F)cc2)n1)NCc1ccc(F)cc1 11596465 AHNNXKARRHKNQM-UHFFFAOYSA-N 374.412 3.859 0 40 FHAB CSc1ccc(NC(=O)Cc2n[nH]c(=S)n2Cc2ccccc2)cc1 12039900 DERNXXJYPILEDK-UHFFFAOYSA-N 370.503 3.892 0 40 FHAB Cc1ccc(N[C@H]2SC(=O)N(CCNc3cccc(C)c3)C2=O)cc1 12113019 SKMYZJJJAVAUCV-KRWDZBQOSA-N 355.463 3.849 0 40 FHAB O=C(Nc1ccccc1C(=O)N1CCc2sccc2C1)c1ccco1 12215844 MEJYTZFSELGIOP-UHFFFAOYSA-N 352.415 3.792 0 40 FHAB CCc1cccc(CC)c1NC(=O)CNc1ccccc1N1CCCC1=O 12517389 ZPISOSTVTAUKBN-UHFFFAOYSA-N 365.477 3.989 0 40 FHAB C[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 12526054 OOXDNJYGFRRTPG-HNNXBMFYSA-N 358.463 3.502 0 40 FHAB CCCc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 12550594 OQTACUJZRYGHCG-MRXNPFEDSA-N 369.490 3.864 0 40 FHAB Cc1nn(CC(C)C)c(C)c1CC(=O)NCCc1cccc2cccnc12 12819668 KVAKYYUZIKLDPX-UHFFFAOYSA-N 364.493 3.606 0 40 FHAB COc1ccc(Cl)cc1NC(=O)CC[C@H]1Cc2ccccc2NC1=O 12859949 VGPQUDVHQUZTNA-ZDUSSCGKSA-N 358.825 3.878 0 40 FHAB COc1cccc(COc2ccc3nc4n(c(=O)c3c2)CCCCC4)c1 12901388 NMZPFQUXQWEZSX-UHFFFAOYSA-N 350.418 3.711 0 40 FHAB biogenic O=C(NCc1ccccc1)c1nnc(/C(Cl)=C/c2cccc(O)c2)s1 12913722 UWZVFLOZDGKULV-GDNBJRDFSA-N 371.849 3.911 0 40 FHAB CN1C(=O)[C@]2(Nc3ccccc3-c3nc4ccccc4n32)c2ccccc21 13127202 SFSPAIAVOJLFOM-QFIPXVFZSA-N 352.397 3.806 0 40 FHAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(OC[C@H]2CCCO2)cc1 14235592 XBJLNJCJIIFUHW-LJQANCHMSA-N 364.445 3.698 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)COc1ccc(C)c(C)c1 14398011 LJZMNBDIIHRVBV-UHFFFAOYSA-N 354.450 3.851 0 40 FHAB C[C@@H](NS(=O)(=O)c1ccc(Cl)nc1)C12CC3CC(CC(C3)C1)C2 16093370 VCXBYXGNJSMJEF-SFCYXTAJSA-N 354.903 3.618 0 40 FHAB Cn1c(CCC(=O)Nc2ccc3c(c2)OC(C)(C)O3)nc2ccccc21 19656581 OMAKUOUOGNEKBK-UHFFFAOYSA-N 351.406 3.652 0 40 FHAB CC1CCN(Cc2nnc3n2N=C(c2ccc(Cl)cc2)CS3)CC1 19897460 ZUJZUCZQHXDOSF-UHFFFAOYSA-N 361.902 3.522 0 40 FHAB C[C@H](NS(=O)(=O)Cc1ccc(Br)cc1)c1ccc(F)cc1 20040316 JTJIRXWCKZAIIF-NSHDSACASA-N 372.259 3.769 0 40 FHAB COc1ccc(CCNCc2cc(Cl)c(OC)c(OC)c2)cc1OC 22074405 JCRKDEKTLUOBLC-UHFFFAOYSA-N 365.857 3.707 0 40 FHAB CCOc1ccc2c(c1)c(=O)c(C(=O)NCc1ccc(Cl)cc1)cn2C 22237116 UVGQJTGJMQRMKK-UHFFFAOYSA-N 370.836 3.521 0 40 FHAB O=C(Nc1ccccc1N1CCCCCC1)c1ccc(-n2ccnc2)nc1 24868239 KVOSGAKBJHLVMV-UHFFFAOYSA-N 361.449 3.900 0 40 FHAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)C1C[C@@H]2CCC[C@H](C1)C2=O 25157856 LWRHDIOFSLOPEI-PBWFPOADSA-N 364.825 3.550 0 40 FHAB Cc1ccc(NC(=S)N[C@H](C)[C@H](c2ccccc2)N2CCOCC2)cc1 25329498 JTMQPHASPXIUHE-YLJYHZDGSA-N 369.534 3.743 0 40 FHAB C[C@H]1CCc2noc(NC(=O)c3cc(=O)c4cc(Cl)ccc4o3)c2C1 27750474 WWVMUOHYXDCJGD-VIFPVBQESA-N 358.781 3.812 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1sc(C(C)C)cc1C(N)=O 27925881 QLHILKYTKOGJPS-UHFFFAOYSA-N 352.843 3.885 0 40 FHAB CC(C)n1ncc2cc(C(=O)NCCc3cccc4cccnc34)cnc21 29453624 OJYYKWKUSKUHTB-UHFFFAOYSA-N 359.433 3.533 0 40 FHAB CCc1cc(C(=O)N(CC)CC(=O)Nc2c(F)cccc2F)sc1C 31173744 LHKIISYTLPXPGG-UHFFFAOYSA-N 366.433 3.998 0 40 FHAB COc1cc(OC)c(NC(=O)c2ccc3c(c2)CCN3C(C)=O)cc1Cl 32204886 NKUAHEKCGBAQBM-UHFFFAOYSA-N 374.824 3.519 0 40 FHAB C[C@H](NC(=O)c1cccs1)C(=O)N[C@H](c1cccs1)C1CCCC1 32397434 FNZMSJHZYWYSQV-LRDDRELGSA-N 362.520 3.976 0 40 FHAB CC[C@@H](NC(=O)COc1ccc(Cl)cc1-n1cnnc1)c1ccccc1 32646787 MPIJICIKZFHPNO-MRXNPFEDSA-N 370.840 3.567 0 40 FHAB Cc1ccc(CN(C(=O)CCc2nc(-c3cccnc3)no2)C2CC2)cc1 32824755 GXBPCBVKGLNPPI-UHFFFAOYSA-N 362.433 3.564 0 40 FHAB COc1ccccc1[C@@H](NC(=O)c1ccc(Cl)cc1F)c1nccn1C 32842441 BKYXDDUOUNNUQC-QGZVFWFLSA-N 373.815 3.741 0 40 FHAB Cc1ccc(C2=NC3(CCN(Cc4ccccc4C)CC3)NC2=O)cc1C 35430841 OEAMCYAGTMZBCE-UHFFFAOYSA-N 361.489 3.523 0 40 FHAB biogenic C[C@@H](Sc1nccn1C)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 36202863 LHRBCLJPCRCKRV-MRVPVSSYSA-N 361.801 3.794 0 40 FHAB COc1cccc([C@H](C)NC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 36614015 ZENVMJPBVSZTAX-NSHDSACASA-N 351.406 3.908 0 40 FHAB CCN(Cc1ccccc1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1C 40103823 OKSSCEHUUOQLTB-UHFFFAOYSA-N 366.509 3.801 0 40 FHAB CC(C)C(=O)Nc1cccc(CNC(=O)/C=C/c2c(F)cccc2F)c1 40106541 DKYSVYPFCZFTDF-MDZDMXLPSA-N 358.388 3.889 0 40 FHAB O=C(Nc1ccc2c(c1)OCCO2)N1CCC(Cc2ccccc2)CC1 41450488 YZGFJOQADJUAMD-UHFFFAOYSA-N 352.434 3.944 0 40 FHAB CC[C@@H](CNC(=O)Nc1cc(NC(C)=O)ccc1OC)c1ccccc1 43668876 GLHQAIZAGOBMPG-HNNXBMFYSA-N 355.438 3.969 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cc(C)cc(Br)c2O)cc1 47815639 ZCZQLKQXNYQHNH-UHFFFAOYSA-N 363.211 3.674 0 40 FHAB C[C@@H](Sc1nncs1)C(=O)N(C)CC12CC3CC(CC(C3)C1)C2 48293419 CVHVTZNZTZRATK-SFCYXTAJSA-N 351.541 3.694 0 40 FHAB O=C([C@@H](c1ccccc1)n1cccc1)N1CCN(c2ccccc2F)CC1 49030897 VAJKGBYQHXOEJK-OAQYLSRUSA-N 363.436 3.565 0 40 FHAB Cc1csc(C2CCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)n1 57876223 MWPFFEISQBIAHC-UHFFFAOYSA-N 374.890 3.812 0 40 FHAB CCc1ccccc1NC(=O)c1cccc(NC(=O)CCn2ccnc2)c1 58225410 PPBVYDZAUHOYOR-UHFFFAOYSA-N 362.433 3.727 0 40 FHAB C[C@@H](O)c1ccc(CNC(=O)N2CCC[C@H]2Cc2cccc(F)c2)cc1 58434571 LHRKLSDQNMFMKH-QRWLVFNGSA-N 356.441 3.796 0 40 FHAB C[C@H](NC(=O)/C=C/c1sc2ccccc2c1Cl)C(=O)N1CCCC1 62883966 SYXGCTOZQRXRDF-BCPZQOPPSA-N 362.882 3.695 0 40 FHAB Fc1ccc(-c2cc(CC3(NCc4ccccc4F)COC3)no2)cc1 67897868 TVFFGMKFHZWZGE-UHFFFAOYSA-N 356.372 3.721 0 40 FHAB biogenic,in-vitro O=C(c1ccncc1)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 72362114 ZMFUXAWAPXXIQZ-QGZVFWFLSA-N 360.417 3.684 0 40 FHAB COc1cccc(Oc2cc(C)nc([C@@H]3CCN(C(=O)C(C)C)C3)n2)c1 72383688 NMKXJJAVFRULMP-OAHLLOKOSA-N 355.438 3.558 0 40 FHAB COc1cc(NC2=NC(=O)S/C2=C\c2cccnc2)cc(OC)c1OC 72400310 MXKQUJZPIJQSIV-CHHVJCJISA-N 371.418 3.826 0 40 FHAB CC(=O)Oc1cc2c(s1)CCN([C@@H](C(=O)C1CC1)c1ccc(F)cc1)C2 77292763 XKXRRKWLOOSELF-LJQANCHMSA-N 373.449 3.891 0 40 FHAB in-vitro CCOc1ccc(NC(=O)N2CC(c3nc(-c4ccsc4)no3)C2)cc1 90567311 DDZYADANRSCIML-UHFFFAOYSA-N 370.434 3.828 0 40 FHAB O=C(c1ccccc1F)N1CCC(Nc2ccc(OC(F)F)cn2)CC1 95974086 WLRFGKYCYGBPOV-UHFFFAOYSA-N 365.355 3.539 0 40 FHAB CC(C)(C)OC(=O)NCC1(c2ccc(C(F)(F)F)cc2)CCNCC1 96029487 GAUPDNVTILVWRD-UHFFFAOYSA-N 358.404 3.851 0 40 FHAB CCCOc1ccc(N2C(=O)C[C@@H](Nc3cccc(Cl)c3)C2=O)cc1 100571954 XBPCZUOCBOTDCX-QGZVFWFLSA-N 358.825 3.873 0 40 FHAB CC(C)Cn1c(=O)c(C(=O)Nc2ccc(F)c(F)c2)c(O)c2ccccc21 100693393 VUZRJANKNFJMBG-UHFFFAOYSA-N 372.371 3.894 0 40 FHAB COc1ccccc1[C@@H]1C=C(c2ccc(OC(F)F)cc2)Nc2ncnn21 102799895 DRGADSULDQJPQU-INIZCTEOSA-N 370.359 3.944 0 40 FHAB O=C(c1ccc(Cl)cc1Cl)n1c(S)nc2ccccc2c1=O 103650490 HZSAJURVKFPCHK-UHFFFAOYSA-N 351.214 3.681 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccc2c(c1)CCC2 223255100 VPFMMWNICOVTRB-GFCCVEGCSA-N 365.882 3.877 0 40 FHAB Cc1cc(C)c(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c(C)c1 223329931 REHBTLGCCZKWLH-UHFFFAOYSA-N 366.826 3.501 0 40 FHAB Cc1ccccc1CS(=O)(=O)NCCOc1ccccc1C(C)(C)C 223700751 DJSDNHDZNOBCJR-UHFFFAOYSA-N 361.507 3.791 0 40 FHAB COc1ccc(OC)c(N(C)S(=O)(=O)c2ccc3ccccc3c2)c1 225049904 FMRNMRBVVQEJMZ-UHFFFAOYSA-N 357.431 3.682 0 40 FHAB CCC(=O)N(Cc1ccc(OC)cc1)[C@H](CC)C(=O)NC1CCCCC1 225351395 YILCIBRCQUVRSD-LJQANCHMSA-N 360.498 3.661 0 40 FHAB COC(C)(C)C(=O)N1CCC[C@@H]1c1ccnc(Nc2cccc(C)n2)c1 257239887 HRGFNYIBQRAMGP-MRXNPFEDSA-N 354.454 3.617 0 40 FHAB Cc1cc(C(=O)N2CCC(c3ccnc(-c4c(C)noc4C)c3)CC2)on1 257288171 PTEKLYURXSAGPP-UHFFFAOYSA-N 366.421 3.670 0 40 FHAB Cc1cccc(C(=O)N2CC[C@@]3(CCn4c(-c5cccs5)cnc43)C2)n1 306131504 KGUSTROQFBNOCV-HXUWFJFHSA-N 364.474 3.503 0 40 FHAB O=C(NC[C@@H]1CCCC[C@H]1c1ccccc1)N1CCO[C@]2(CCCOC2)C1 333704779 SAXUVCRFSVTBSP-JAXLGGSGSA-N 372.509 3.551 0 40 FHAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC(OCC(F)(F)F)C1 390829699 GAHDPGMXBLYFOI-UHFFFAOYSA-N 374.746 3.707 0 40 FHAB CC[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 408997800 IGENNIQAVPWNOE-GUYCJALGSA-N 359.470 3.518 0 40 FHAB CCc1ccc(Cn2nc(-c3ccc4c(c3)OCCCO4)ccc2=O)cc1 522693642 CMLVISKCAUVJSU-UHFFFAOYSA-N 362.429 3.682 0 40 FHAB c1cncc(OCC[C@H]2CCOC23CCN(Cc2ccsc2)CC3)c1 585105494 XWLNXCMUXLROPT-SFHVURJKSA-N 358.507 3.983 0 40 FHAB CC(C)(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(CC3CC(F)(F)C3)C[C@H]12 585109435 OXWRLZJCGYPJBL-OKZBNKHCSA-N 362.464 3.964 0 40 FHAB Cc1ccc(N2CCC[C@@H](C(=O)Nc3cc(Cl)ccc3Cl)C2)nn1 585234471 VBYWDUFJUBZJLB-GFCCVEGCSA-N 365.264 3.947 0 40 FHAB COC(=O)[C@@H]1CCc2nnc([C@H](C)Oc3ccc4ccccc4c3)n2CC1 601043652 GUKMPBZVFSVPNB-GOEBONIOSA-N 365.433 3.697 0 40 FHAB CCC(=O)N1CCCCCN(C)C(=O)c2ccccc2OC[C@@H]1CC(C)C 643564087 FVVGDOVMLKDNLO-SFHVURJKSA-N 374.525 3.975 0 40 FHAB CCCc1nc(CN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cs1 36396181 JTFPUHAVWNCSRI-ZDUSSCGKSA-N 352.525 3.692 0 40 FHAB O=C(CCC1CCCC1)Nc1ccc(C(=O)NCc2cccnc2)cc1 897976 VSQUNIFZLZOAQW-UHFFFAOYSA-N 351.450 3.921 0 40 FHAB COC(=O)c1ccc(N/C=C2/CCN(c3ccc(Cl)cc3)C2=O)cc1 100281620 KTAYZHKUOXXKTP-OWBHPGMISA-N 356.809 3.859 0 40 FHAB CC(=O)Nc1ccc(N[C@H](C(=O)NC2CC2)c2ccccc2)cc1Cl 10945170 MXLUTLVKHWXGIN-SFHVURJKSA-N 357.841 3.730 0 40 FHAB CN1CC[C@H](CC(C(=O)N2CCCC2)(c2ccccc2)c2ccccc2)C1 1672576 SQHRAWGCFMHPMQ-HXUWFJFHSA-N 362.517 3.937 0 40 FHAB CO[C@@H](C(=O)Nc1cccc(CN2CCCCC2=O)c1)c1ccccc1 50473896 RVSGYASPUZQJNZ-HXUWFJFHSA-N 352.434 3.525 0 40 FHAB O=C(O)c1ccc(Cl)c(NC(=S)NC(=O)c2ccc(Cl)cc2)c1 6883010 KGUZUWCMJOISNS-UHFFFAOYSA-N 369.229 3.818 0 40 FHAB COC(=O)c1ccc(C(=O)Nc2nc(C)c(-c3ccccc3)s2)nc1 31967751 ZQURNAHGSHDYAX-UHFFFAOYSA-N 353.403 3.552 0 40 FHAB CC[C@@H](Oc1ccccc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 7759837 BOLXXIGNQOPKEK-QGZVFWFLSA-N 351.406 3.553 0 40 FHAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2cccc(C)c2)CC1=O 7881890 VJXXSQYFGBGOFJ-ZDUSSCGKSA-N 358.825 3.649 0 40 FHAB Cc1cc(Br)ccc1NC(=O)CN(C)Cc1ccccc1F 7910848 MENHGGHTBODYIC-UHFFFAOYSA-N 365.246 3.967 0 40 FHAB CCC[C@@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 10314651 CKWHIJDYKQYWKR-OAHLLOKOSA-N 360.479 3.714 0 40 FHAB O=C(O)c1cccc(CSc2nc3c(c(C(F)(F)F)n2)CCC3)c1 8377947 SHAQRDKXSIYXAB-UHFFFAOYSA-N 354.353 3.975 0 40 FHAB COc1ccc(OC[C@H]2[C@@H]3CC[C@H](C3)N2C(=O)C2CCC(OC)CC2)cc1 100113463 WHXDNXKKSMEEFL-BXUMMWNSSA-N 373.493 3.659 0 40 FHAB O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cncn1-c1ccc(F)cc1 32907728 DQNZJTSVSLSEKQ-DGCLKSJQSA-N 355.335 3.862 0 40 FHAB Cc1nc(-c2ccccn2)sc1C(=O)NC1CC(C)(C)NC(C)(C)C1 29787939 VCWLEIUQKMTWPX-UHFFFAOYSA-N 358.511 3.553 0 40 FHAB O=C(CCc1nc2ccccc2s1)OCC(=O)c1cc(F)ccc1F 2626295 NIDXMNQLTLVHKG-UHFFFAOYSA-N 361.369 3.933 0 40 FHAB CCOCc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12 7598779 FOTKIJMZXUKCRN-UHFFFAOYSA-N 353.374 3.993 0 40 FHAB Cc1noc(C)c1COc1ccc(CC(=O)NCCc2cccs2)cc1 17909483 QDSLRUHVINWSQE-UHFFFAOYSA-N 370.474 3.833 0 40 FHAB COC(=O)c1oc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)cc1C 29833284 FXICGFMXZXFSAN-CQSZACIVSA-N 354.406 3.895 0 40 FHAB CC(C)Oc1ccc(C(=O)N2[C@@H]3CC[C@@H]2CN(Cc2ccccc2)C3)cc1 101328593 CJOAWQVNOIFJQE-NHCUHLMSSA-N 364.489 3.963 0 40 FHAB COc1ccc([C@@H](C)NC(=O)COc2ccc(Br)cc2)cc1 22509265 UIWHOVWFCSOSLT-GFCCVEGCSA-N 364.239 3.714 0 40 FHAB COc1cc(CCC(=O)N[C@H](C)CCc2ccccc2)cc(OC)c1OC 23053409 FDCUMEDXMKZHFW-MRXNPFEDSA-N 371.477 3.783 0 40 FHAB Cc1sc(NC(=O)c2ccc3c(c2)OCO3)c(C(=O)OC(C)C)c1C 997872 OVLXBGZERRKFEL-UHFFFAOYSA-N 361.419 3.911 0 40 FHAB CCCc1n[nH]c(SCc2cccc(C(=O)NCc3ccco3)c2)n1 54916171 JCPZCAFNXVIDFO-UHFFFAOYSA-N 356.451 3.573 0 40 FHAB CC[C@@H]1CCc2c(sc3ncn4nc([C@@H](C)n5cc(C)cn5)nc4c23)C1 2803478 DPSFTDMITHKXLU-CHWSQXEVSA-N 366.494 3.968 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H](c3cccs3)N(C)C)cc2)n1 25784801 BUZPZNBDKZINCG-SFHVURJKSA-N 368.506 3.583 0 40 FHAB O=C1CN(C(=O)c2cc(-c3ccccc3Cl)on2)c2ccccc2N1 47444235 MJJOVHVWLNQUSY-UHFFFAOYSA-N 353.765 3.594 0 40 FHAB Cc1csc2nc(CN[C@@H](c3ccc(Cl)cc3)C3CC3)cc(=O)n12 57157869 KDQZCRFAWPJXCQ-QGZVFWFLSA-N 359.882 3.959 0 40 FHAB CCC[C@@H](C)NC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 27463399 BITLTGANUZSNSZ-RNCFNFMXSA-N 360.401 3.813 0 40 FHAB C[C@H](c1ccccc1)n1cnnc1SCC(=O)N(C)c1ccccc1 58101849 FOLWKWNWRVVYRR-OAHLLOKOSA-N 352.463 3.643 0 40 FHAB Cc1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1 27583861 KGVLFMSLSNYMSC-HXUWFJFHSA-N 372.896 3.981 0 40 FHAB CCC1=NN(C(=O)c2ccc(C(C)(C)C)cc2)[C@](O)(c2ccncc2)C1 408751525 STOXXEGVBMNSBK-OAQYLSRUSA-N 351.450 3.836 0 40 FHAB NC(=O)N[C@H](CC(=O)Nc1cccc(-c2nccs2)c1)c1cccs1 58209737 KOZFMKFTUZFNCZ-CYBMUJFWSA-N 372.475 3.610 0 40 FHAB CC(C)Oc1ccc(NC(=O)CN2CCCCCCC2=O)cc1Cl 58377088 LYWULGDXGZDPBL-UHFFFAOYSA-N 352.862 3.858 0 40 FHAB CSc1nnc(SCC(=O)N(C)[C@H]2CCCc3ccccc32)s1 48235968 WDNPENFCCQMYJX-ZDUSSCGKSA-N 365.549 3.888 0 40 FHAB O=C(Nc1nn2cc(-c3ccccc3)nc2s1)c1cc(F)cc(F)c1 7723861 SJCNLNSDMONZAR-UHFFFAOYSA-N 356.357 3.988 0 40 FHAB C[C@H](Cn1ccnc1)NC(=O)Nc1ccc(N2CCc3ccccc32)cc1 48332525 STUCISYEHJIGPC-MRXNPFEDSA-N 361.449 3.788 0 40 FHAB Cc1ccc2c(CSc3nnc(C(F)(F)F)n3C)cc(=O)oc2c1 3437349 YUXFGEJEMDUEHF-UHFFFAOYSA-N 355.341 3.541 0 40 FHAB CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)Sc2nncn2C(C)C)cc1 8335284 SNQSXWIHOFVRCF-ZDUSSCGKSA-N 360.483 3.817 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)c1 3561784 DPECGELAKXTVMG-IBGZPJMESA-N 352.434 3.591 0 40 FHAB COC(=O)c1ccc(CSc2nnc(-c3c[nH]c4ccccc34)o2)o1 3521634 FRTRNOQHWFPYLD-UHFFFAOYSA-N 355.375 3.890 0 40 FHAB CCCCc1ccc(N2C(=O)C[C@H](Nc3ccc(OC)cc3)C2=O)cc1 21915519 UECPUDBGVHAYKP-IBGZPJMESA-N 352.434 3.782 0 40 FHAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(Br)cn2)c(C)c1 13331875 PSDDXSDPRUXYEQ-UHFFFAOYSA-N 355.257 3.570 0 40 FHAB COc1ccc(-n2nc3ccc(NC(=O)c4cccc(F)c4)cc3n2)cc1 16226444 FPTBQZGOCVVAKC-UHFFFAOYSA-N 362.364 3.821 0 40 FHAB CN1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2cccs2)CC1 5200852 UCKCDBJWQMITQW-FNORWQNLSA-N 361.898 3.805 0 40 FHAB Cc1ccc(-c2nnc([C@@H](C)N(C)CC(=O)Nc3ccc(F)cc3)o2)cc1 14134668 PCRSWPSWAMGBQQ-CQSZACIVSA-N 368.412 3.816 0 40 FHAB C[C@H](NS(=O)(=O)c1cccc2nonc12)c1ccc(C(C)(C)C)cc1 14251745 SPLOJVUKROXYRH-LBPRGKRZSA-N 359.451 3.560 0 40 FHAB COc1ccc2cc(CN3CCN(c4ccccn4)CC3)c(Cl)nc2c1 6653762 UARPZVLIDFNPFQ-UHFFFAOYSA-N 368.868 3.614 0 40 FHAB COc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 6662293 ZAIIRPMYOUJDSO-LLVKDONJSA-N 373.796 3.805 0 40 FHAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CCOc1ccccc1Cl)C2=O 7004236 RXCZVBUCMBUYPA-YJYMSZOUSA-N 364.873 3.856 0 40 FHAB Cc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c(C)c1 7050190 YSBIJGYAOSFOTL-QGZVFWFLSA-N 369.490 3.837 0 40 FHAB Cc1cc(F)cc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)c1 80176894 LEFOPDBMDUTRLN-UHFFFAOYSA-N 359.788 3.810 0 40 FHAB Cc1nc(NC(=O)[C@H](C)Cn2nc(C)c(Br)c2C)sc1C 28229978 AAHMAHXIDNTJAV-SSDOTTSWSA-N 371.304 3.611 0 40 FHAB CSc1ccc(C(=O)COC(=O)c2sccc2C)cc1NC(C)=O 9550048 AULRNQWLIBZPHS-UHFFFAOYSA-N 363.460 3.777 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)c(O)c1 95398742 XYJFOPQYEJOMHI-UHFFFAOYSA-N 353.296 3.840 0 40 FHAB COc1cc(CN[C@@H]2CCCCC[C@H]2CO)ccc1OCC(F)(F)F 95410526 HAACALIOSSHJNM-LSDHHAIUSA-N 361.404 3.667 0 40 FHAB COCc1ccc(C(=O)Nc2cccc(Oc3cnccn3)c2)cc1OC 95965986 SXUZEDTVGLKNLU-UHFFFAOYSA-N 365.389 3.676 0 40 FHAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1cc(=O)c2ccccc2o1 79070705 NWPDZIROLAMPHY-MRXNPFEDSA-N 362.429 3.664 0 40 FHAB Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(-n4cccn4)cc3)c2)n1 28242009 XZPWFLAFHOSZIM-UHFFFAOYSA-N 371.444 3.986 0 40 FHAB Cc1cc(C)n(Cc2ccc(C(=O)NCCSC3CCCC3)cc2)n1 61158436 BIBZNXZHRNUSRA-UHFFFAOYSA-N 357.523 3.954 0 40 FHAB O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)Nc1ccccc1 408628658 ZPCCLLVHANBCKC-UHFFFAOYSA-N 364.426 3.501 0 40 FHAB C[C@H]1CN(c2ccc(Nc3ncncc3-c3ccccc3)cn2)C[C@H](C)O1 530481192 QARUICZAHQDKSL-HOTGVXAUSA-N 361.449 3.896 0 40 FHAB COc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1OC 219516815 GBIFANWVSUSIFS-KRWDZBQOSA-N 371.477 3.837 0 40 FHAB CSc1cccc(N2C[C@@H](C(=O)N3c4ccccc4C[C@@H]3C)CC2=O)c1 32975224 BNAVEGDWCGYKML-HOCLYGCPSA-N 366.486 3.739 0 40 FHAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)NCC(F)(F)CO)c2c1 1567381213 JHNCLXVDJYGBGG-UHFFFAOYSA-N 356.372 3.568 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC2(CC1)OCCS2 70637309 ALPDGLORTPEPAM-UHFFFAOYSA-N 355.887 3.580 0 40 FHAB Cc1cccc(Cc2cccc([C@H]3CCCN(C(=O)c4cc[nH]n4)C3)n2)c1 72349798 HZDULTDIULLPRJ-SFHVURJKSA-N 360.461 3.724 0 40 FHAB COc1cccc(CCCNC(=S)Nc2ccc(OC)c(OC)c2)c1 225552953 QTOCGETVDPEHDJ-UHFFFAOYSA-N 360.479 3.632 0 40 FHAB CCCCOc1ccc(NC(=O)C2(OCC)CCCC2)cc1C(=O)OC 225828612 XPBNRBMMCXPZLA-UHFFFAOYSA-N 363.454 3.940 0 40 FHAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCOc1cccc2ccccc12 223538804 MSJMVYUXXNKRGU-OAHLLOKOSA-N 353.393 3.941 0 40 FHAB Cc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1 224103568 DUDLMDFIVMRWHA-IBGZPJMESA-N 366.505 3.727 0 40 FHAB O=C(Nc1cccc(C2SCCCS2)c1)[C@H]1CC(=O)N(C2CC2)C1 60934357 QAVWZTIKRBDXPF-ZDUSSCGKSA-N 362.520 3.505 0 40 FHAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2OC)cc1C(C)C 224421164 SWPDMGOUMGJOIP-CQSZACIVSA-N 363.479 3.867 0 40 FHAB CCCOC1(C(=O)Nc2cnc(OCCOCC)c(C)c2)CCCCC1 225909838 GIBAKVMYDDOXED-UHFFFAOYSA-N 364.486 3.873 0 40 FHAB COc1cccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)CCC(=O)O)c1 85344974 WSPLNLXCFUBDFI-IBGZPJMESA-N 366.417 3.546 0 40 FHAB Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 44901778 BMKQTNPZONFMMP-GFCCVEGCSA-N 366.870 3.511 0 40 FHAB C[C@H](O)c1ccc(CCNC(=O)c2ccccc2Br)s1 225687577 KIXDTWSDOJXGHZ-JTQLQIEISA-N 354.269 3.536 0 40 FHAB CCCOC1(C(=O)Nc2cnc(OCCOC)c(C)c2)CCCCCC1 225910308 HHFRHBOTYLNJFT-UHFFFAOYSA-N 364.486 3.873 0 40 FHAB CC1(C)CC(=O)Nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc21 96182977 RROCFVWFTOTQKH-UHFFFAOYSA-N 364.854 3.761 0 40 FHAB O=C(c1nccc2ccccc12)N1CCCC[C@H]1c1ccn2ccnc2n1 257286476 PLSBNDTXIUOFBX-SFHVURJKSA-N 357.417 3.645 0 40 FHAB Cc1cccc(N(CC(=O)N2CCCCC2)C(=O)c2occ(C)c2C)c1 585083764 IEXSIKFPWREDRY-UHFFFAOYSA-N 354.450 3.864 0 40 FHAB Fc1cc(F)cc(-c2nsc(N3CCC[C@]4(CCCOC4)C3)n2)c1 645183217 WZKVQAQNPUEPBA-KRWDZBQOSA-N 351.422 3.880 0 40 FHAB CC[C@H](CC(=O)N1CC[C@@H](N(C)C(=O)c2ccoc2)C1)c1ccc(C)cc1 1775996829 JTRHKYNGMXVIHW-YLJYHZDGSA-N 368.477 3.845 0 40 FHAB O=C1[C@@H]([C@@H](O)c2ccccc2Cl)C(C(F)(F)F)=NN1c1ccccc1 100355046 YILYRCMXIGMUIJ-KBPBESRZSA-N 368.742 3.955 0 40 FHAB biogenic O=C(NC[C@H](c1ccsc1)n1cccn1)C1(c2ccc(F)cc2)CC1 575613908 LOXRVWAZFDNNQK-QGZVFWFLSA-N 355.438 3.521 0 40 FHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(Cl)c2)cc1 46804757 FEJODCXNUXYXDX-QWHCGFSZSA-N 359.857 3.976 0 40 FHAB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)CNc1ccccc1Cl 63656334 UYVCLPXKXQLDKD-OAHLLOKOSA-N 360.889 3.897 0 40 FHAB C[C@H](NC(=O)N1CCC(CN2CCc3ccccc32)CC1)c1ccncc1 95957618 WGNBHYNJDIRCOL-KRWDZBQOSA-N 364.493 3.627 0 40 FHAB Cc1ccc(OCC2(O)CCN(C(=O)/C=C/c3ccccc3)CC2)cc1C 1615079271 ZGZQBLVDZBWZAO-PKNBQFBNSA-N 365.473 3.749 0 40 FHAB CC(=O)N1CCN(C2CCCCC2)C[C@H](Cc2cnc3ccccc3c2)C1 1615192175 RSVTUQQIYFMRDL-HXUWFJFHSA-N 365.521 3.890 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)c1 5441732 PBLGNEVSUGLMLE-UHFFFAOYSA-N 368.433 3.781 0 40 FHAB COc1ccc(CC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1OC 11554303 MNKSPTDNCDUTGG-UHFFFAOYSA-N 362.429 3.871 0 40 FHAB Cc1ccc(C2=CCN(CC(=O)Nc3nc4ccccc4s3)CC2)o1 12114566 GURADRGBBOJKTD-UHFFFAOYSA-N 353.447 3.926 0 40 FHAB Cc1c(Cl)cccc1NC(=O)CNC(=O)c1cc2c(s1)CCCC2 12757729 LMZUASRXMBLXCT-UHFFFAOYSA-N 362.882 3.957 0 40 FHAB CCN(c1ccc(C(=O)Nc2cccc3ccccc23)cc1)S(C)(=O)=O 13681449 IEVIVSYLPRMMAP-UHFFFAOYSA-N 368.458 3.878 0 40 FHAB Cc1n[nH]c(C)c1NC(=O)c1ccc(NC(=O)/C=C/c2ccco2)cc1 14404492 FGILKUNGLXZVAI-MDZDMXLPSA-N 350.378 3.524 0 40 FHAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1CCc2ccccc2C1 17322046 HALVHOAIPAQSSM-UHFFFAOYSA-N 367.836 3.908 0 40 FHAB CC[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccc(OC)cc1 18132063 UZXOIAKFSUUURR-FQEVSTJZSA-N 366.461 3.632 0 40 FHAB N[C@H]1CCc2nc(-c3cccnc3)nc(Nc3ccc(Cl)cc3)c2C1 19341126 CXTIVZBAHSEANS-AWEZNQCLSA-N 351.841 3.752 0 40 FHAB CCC(=O)N1CCC[C@](Cc2ccccc2-c2cccs2)(C(=O)NC)C1 19498674 BTCQOWGVCZNGFD-OAQYLSRUSA-N 370.518 3.722 0 40 FHAB Cc1sc(C(=O)O)cc1CN(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 563892617 KIVKARIHDUXPPI-BSNNYGBQSA-N 351.493 3.685 0 40 FHAB C[C@@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1c(F)cccc1F 10842242 CVTCRWIZBGGISJ-LLVKDONJSA-N 359.376 3.752 0 40 FHAB O=C(C1CCN(Cc2ccccc2Cl)CC1)N1CCC(F)(F)CC1 1889128328 YPHHVMMERWGOLE-UHFFFAOYSA-N 356.844 3.810 0 40 FHAB OC1(c2ccc(Cl)cc2)CCN(c2ncccc2Br)CC1 2086949981 ZHAZLIFLQRYWIB-UHFFFAOYSA-N 367.674 3.986 0 40 FHAB O=C(CSc1ccc(-c2cccnc2)nn1)Nc1ccc(F)cc1F 4392032 ONKKCVNIHNJNBT-UHFFFAOYSA-N 358.373 3.548 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CC(=O)N(c2ccccc2)C1 4359906 JDMVCROQRRNNGI-GFCCVEGCSA-N 364.232 3.920 0 40 FHAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc2ccccc2c1 4618688 ZEQXQJCCLHYEKM-IBGZPJMESA-N 373.408 3.619 0 40 FHAB Cc1cccc(NC(=O)c2cccn(Cc3c(F)cccc3Cl)c2=O)n1 5269565 SRFGETVZTJYFEI-UHFFFAOYSA-N 371.799 3.645 0 40 FHAB CCC(=O)N1CCCc2ccc(NS(=O)(=O)Cc3ccc(C)cc3)cc21 12180595 PCUMBPWTCRYZHR-UHFFFAOYSA-N 372.490 3.626 0 40 FHAB Cc1nc2sc([C@@H](c3cccc(F)c3)N3CCC(C)CC3)c(O)n2n1 23157341 NEQUDXFFXWLPCM-OAHLLOKOSA-N 360.458 3.765 0 40 FHAB Cc1nc2sc([C@@H](c3cccs3)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 33689373 DUJNAGSMLZWJSU-UHIISALHSA-N 362.524 3.934 0 40 FHAB COc1ccc(NC(=O)c2cc(OCc3ccccc3)ncn2)cc1Cl 575610126 SSSVEGJLCHHCSU-UHFFFAOYSA-N 369.808 3.970 0 40 FHAB CN(C)c1ccc(-c2cn3cc(I)ccc3n2)cc1 1491204 GUJHUHNUHJMRII-UHFFFAOYSA-N 363.202 3.672 0 40 FHAB O=Cc1cn(CC(=O)Nc2ccccc2)c2ccc(Br)cc12 6045585 LYPGQRQKLKSHDM-UHFFFAOYSA-N 357.207 3.855 0 40 FHAB C[C@@](O)(CCc1ccccc1)CNC(=O)c1ccc(C(F)(F)F)cc1 62021453 UDKZWLCYTLSUEG-GOSISDBHSA-N 351.368 3.819 0 40 FHAB O=C(NCc1ccc2c(c1)OCO2)[C@@H](Oc1ccccc1)c1ccccc1 40128050 BVPOIMJTGINEFJ-NRFANRHFSA-N 361.397 3.852 0 40 FHAB Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NCc3ccc(F)cc3)C2)c1 40150769 QSJMZGJEQFODNI-KRWDZBQOSA-N 369.440 3.694 0 40 FHAB O=C(/C=C/c1ccccc1)Oc1ccc(I)cc1 827851 BONZWJZCACURHN-IZZDOVSWSA-N 350.155 3.910 0 40 FHAB CC[C@@H](C)NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 918079 RLACEXBLJKDZJA-SECBINFHSA-N 352.316 3.536 0 40 FHAB CCc1cccc(CC)c1NC(=O)CSc1nncn1-c1ccccn1 933979 SIVXQLJLTHOITP-UHFFFAOYSA-N 367.478 3.518 0 40 FHAB CCOC(=O)c1ccc(Nc2nc(C(=O)OCC)nc3ccccc23)cc1 956522 SJNMMVLVXJMMGZ-UHFFFAOYSA-N 365.389 3.727 0 40 FHAB CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1nncs1 959333 DIWKEIISBZWLAZ-UHFFFAOYSA-N 370.272 3.616 0 40 FHAB Cc1cc2ccccc2n2c(SCC(=O)N3CCCC[C@@H]3C)nnc12 1223189 IXJKXJYCMFNOEW-AWEZNQCLSA-N 354.479 3.684 0 40 FHAB O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1ccc(Cl)cc1Cl 1402833 UROYHSBHIWHKJU-UHFFFAOYSA-N 362.209 3.545 0 40 FHAB Cc1cccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c1C 1946658 MZESMKRCQFJLNM-NSHDSACASA-N 372.490 3.606 0 40 FHAB O=C(COC(=O)c1ccccc1O)Nc1ccc(SC(F)F)cc1 3245452 AWDGBOHPRLBBSE-UHFFFAOYSA-N 353.346 3.502 0 40 FHAB CC(C)CNC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 3294297 SHTOQQPELLXYMD-UHFFFAOYSA-N 373.836 3.500 0 40 FHAB O=C1C[C@@H](C(=O)N(Cc2ccccc2)c2ccccc2)CN1Cc1ccco1 3348687 LQKXSDJWNQKVLZ-LJQANCHMSA-N 374.440 3.862 0 40 FHAB O=C(COC(=O)c1cc(Cl)ccc1Cl)Nc1ccc2c(c1)OCO2 3370823 ZPNQJPQMUOCKOA-UHFFFAOYSA-N 368.172 3.518 0 40 FHAB COc1ccc(OC)c(-c2csc(NC(=O)COc3ccccc3)n2)c1 3524035 HPTBTQZYURBVQD-UHFFFAOYSA-N 370.430 3.845 0 40 FHAB CCOCc1c(C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)oc2ccccc12 3545997 KHISHJOOLXBBME-RHSMWYFYSA-N 373.449 3.821 0 40 FHAB COc1ccc(-n2nc3c(c2NC(=O)c2ccccc2)CSC3)cc1 3892402 KDGINEWGQVGQKX-UHFFFAOYSA-N 351.431 3.880 0 40 FHAB C[C@H](NC(=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1 5195861 GJTABTPUGRYYJH-BBRMVZONSA-N 357.841 3.506 0 40 FHAB O=C(C[C@H](C(=O)O)N1CCCCC1)Nc1ccc(Oc2ccccc2)cc1 5257892 BRMANGLXLBKCOO-LJQANCHMSA-N 368.433 3.747 0 40 FHAB CCOc1cc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)ccc1O 5376218 SEJWZTSKXMQTHF-SXGWCWSVSA-N 357.387 3.737 0 40 FHAB CC(C)COc1cccc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2)c1 5844402 XCRDFGFFOCEYET-UHFFFAOYSA-N 372.446 3.546 0 40 FHAB C[C@@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)NC1CCCCC1 5891664 XLARJQHGVIPWFU-GFCCVEGCSA-N 364.902 3.850 0 40 FHAB COc1cc(N)c(Cl)cc1C(=O)O[C@H](C)C(=O)c1ccc2c(c1)CCC2 5898342 KIFJSONIVJVKSB-LLVKDONJSA-N 373.836 3.848 0 40 FHAB O=C(COc1ccccc1)NC(=S)Nc1cc(Cl)c(O)c(Cl)c1 6252356 CBIJIQFLOVWMTK-UHFFFAOYSA-N 371.245 3.591 0 40 FHAB Cc1ccc(C(=O)N(C)Cc2ccccc2)cc1I 6278482 XLNPWEVBKGDPAM-UHFFFAOYSA-N 365.214 3.872 0 40 FHAB Cc1cc2occ(CC(=O)NC[C@@H]3COc4ccccc4O3)c2cc1C 7060315 VRPBVUMWZASNQT-MRXNPFEDSA-N 351.402 3.548 0 40 FHAB CCOc1ccc(S(=O)(=O)n2ccnc2C(C)C)cc1C(C)(C)C 7425041 ASDLCHARXRSRQQ-UHFFFAOYSA-N 350.484 3.940 0 40 FHAB Cc1cccc(NC(=O)CCS(=O)(=O)c2ccccc2Cl)c1C 7610060 XZPIVIJOEQLIQW-UHFFFAOYSA-N 351.855 3.759 0 40 FHAB COc1ccc([C@H]2CCCN2CC(=O)Nc2cccc(C)c2)c(OC)c1 7719561 NJDNHXVYVOARHL-LJQANCHMSA-N 354.450 3.788 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1 8478103 ANAHYNKWXFLEDR-JKSUJKDBSA-N 354.450 3.929 0 40 FHAB CSc1ccccc1NC(=O)CN(C)Cc1ccc(-n2cccn2)cc1 8884042 PZRUZQJVTZBPHR-UHFFFAOYSA-N 366.490 3.665 0 40 FHAB CCCCNc1nnc(SCCCn2c(=O)[nH]c3ccccc32)s1 9173467 SEHDNSKOXJRODY-UHFFFAOYSA-N 363.512 3.576 0 40 FHAB c1csc(Cn2nnnc2SCc2coc(-c3cccs3)n2)c1 9534950 HOOUHKIQKVKEFU-UHFFFAOYSA-N 361.477 3.792 0 40 FHAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1C(F)(F)F 9709596 JXGFOCKAYYXLKH-UHFFFAOYSA-N 373.338 3.946 0 40 FHAB Cc1cc(OCC(=O)Nc2nc(-c3cc4ccccc4o3)cs2)no1 9873243 VCNHXOQEOKLSGM-UHFFFAOYSA-N 355.375 3.870 0 40 FHAB O=C(COc1cccc2c1CCC2=O)Nc1cccc(Br)c1 10197630 ZCKCBEBWGXIGJD-UHFFFAOYSA-N 360.207 3.596 0 40 FHAB Cc1ccc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1C 10971961 NVOLHOYKXSSPPX-UHFFFAOYSA-N 352.434 3.937 0 40 FHAB CCOc1ccccc1NC(=O)/C=C/c1ccc(N2CCCC2=O)cc1 11466926 SFWDVNLGGHWHQP-SDNWHVSQSA-N 350.418 3.864 0 40 FHAB CCc1c(C)nc2cc(-c3ccco3)nn2c1NCCCn1ccnc1 12221272 OKIXRBPOMURUPU-UHFFFAOYSA-N 350.426 3.559 0 40 FHAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)C1 12622212 AHRAIZLXNVXZRG-BETUJISGSA-N 370.478 3.815 0 40 FHAB Cc1cc(C(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)cs1 12669464 TUJXBBMJBTZKIF-UHFFFAOYSA-N 354.435 3.521 0 40 FHAB CC(C)C[C@H](N[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 12751469 DPFWUYMXHYMRFZ-KSSFIOAISA-N 366.465 3.560 0 40 FHAB Cc1noc(C)c1CC(=O)O[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl 12808645 FGOHAWRERIZIKX-JTQLQIEISA-N 371.220 3.711 0 40 FHAB c1ccc(Cc2nc(N3CCNCC3)c3c4c(sc3n2)CCCC4)cc1 13998077 UNSOHBUBRPUVJL-UHFFFAOYSA-N 364.518 3.571 0 40 FHAB CCCn1ccnc1S[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OCC)c1C 14095571 VYWUAMDSZWBLQI-ZDUSSCGKSA-N 363.483 3.778 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)cc2)n1 14183065 BCRXZTVKJNVUGY-JOCHJYFZSA-N 374.488 3.618 0 40 FHAB CN(C(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O)c1ccccc1 15883299 DTDHNXFQVYLMQF-UHFFFAOYSA-N 369.424 3.721 0 40 FHAB O=c1c2cc(Cl)ccc2nc2sc(Nc3ccc(F)c(F)c3)nn12 17149783 OXUTUKLLICUZAZ-UHFFFAOYSA-N 364.764 3.979 0 40 FHAB COc1cc(CNCc2ccc(NC(C)=O)cc2)ccc1OC(F)F 17316523 STBSUEXXIXSXQN-UHFFFAOYSA-N 350.365 3.545 0 40 FHAB Cc1cc(C)c2c(=O)[nH]c(SCC(=O)c3ccc(C)c(C)c3)nc2n1 18042972 HDNNLQLIOWDQCM-UHFFFAOYSA-N 353.447 3.527 0 40 FHAB CC(C)n1ncc2cc(C(=O)O[C@H](C)c3nc(C(C)(C)C)no3)cnc21 24048865 QCSWCAXMINYCKK-LLVKDONJSA-N 357.414 3.611 0 40 FHAB Cc1c(C(=O)NCCOc2ccc(Cl)cc2)[nH]c2c1C(=O)CC(C)(C)C2 24348198 YSJWYIRLWZBPIF-UHFFFAOYSA-N 374.868 3.940 0 40 FHAB O=C(Nc1ccc(-n2ccnc2)nc1)c1occc1COc1ccccc1 24905512 FHDYRLWXBLUPFJ-UHFFFAOYSA-N 360.373 3.692 0 40 FHAB O=C(CN1CCCc2cc(F)cc(F)c21)NCCc1c[nH]c2ccccc12 26726312 BMHGUZMMMHGDEF-UHFFFAOYSA-N 369.415 3.558 0 40 FHAB C[C@@H]1CCCN(C(=O)c2ccn(COc3cccc(C(F)(F)F)c3)n2)C1 27973239 CNXDSJNJDLKZMH-CYBMUJFWSA-N 367.371 3.811 0 40 FHAB Cc1ccc2nc(NC(=O)COc3ccc4c(=O)ccoc4c3)sc2c1 27995308 XDSFMHAEHSRGBW-UHFFFAOYSA-N 366.398 3.729 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccccn3)c2C(C)C)cc1 32815116 ZZNFCFFRANQWNS-UHFFFAOYSA-N 363.421 3.601 0 40 FHAB Cc1cccn2c(=O)cc(COc3ccccc3NC(=O)CC(C)C)nc12 33067833 UCLDDEZCAYKZKJ-UHFFFAOYSA-N 365.433 3.567 0 40 FHAB CSc1nnc(C)n1NC(=O)COc1ccc(C2CCCCC2)cc1 33617034 SKGAHHLSCSAZBG-UHFFFAOYSA-N 360.483 3.505 0 40 FHAB COc1cccc(C(=O)Nc2ccc(-c3nc4cnccc4o3)c(O)c2)c1 36366167 RRGASHBQDFMUJH-UHFFFAOYSA-N 361.357 3.856 0 40 FHAB O=C(c1nc2ccccc2s1)N1CCC(c2nnc(C3CC3)o2)CC1 38518781 GCRUTZQURUSCOX-UHFFFAOYSA-N 354.435 3.577 0 40 FHAB CC(=O)Nc1cccc(-n2nnnc2S[C@@H]2CCCc3ccccc32)c1 40114338 NEQGYPXJXVOMPN-GOSISDBHSA-N 365.462 3.790 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)[C@@H](C)SCc3ccccc3)ccc21 40141430 HCWFARJEQGZJIZ-CQSZACIVSA-N 354.475 3.856 0 40 FHAB CC(C)(C)c1ccc(O)c(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c1 40144819 WDQHMMPRSSRHKB-HNNXBMFYSA-N 373.497 3.556 0 40 FHAB CCOc1ccc(S(=O)(=O)/N=C(\O)Cc2ccc(Cl)cc2)cc1 42247680 CXKNUXQPIOCCKZ-UHFFFAOYSA-N 353.827 3.627 0 40 FHAB CC[C@H](C(=O)OCc1nc(-c2ccc3c(c2)OCO3)no1)c1ccccc1 44836648 FOWGKFIUAVGIGX-HNNXBMFYSA-N 366.373 3.702 0 40 FHAB O=C(N[C@H]1CCCc2[nH]c(=O)ccc21)c1cccc2c3c([nH]c12)CCCC3 45262170 YBNHCEPOOJYVDX-IBGZPJMESA-N 361.445 3.542 0 40 FHAB C[C@@H]1CCCN(CCCNC(=O)N[C@@H]2CCSc3ccc(F)cc32)C1 48246875 LTXRHYVSJPSIFY-RHSMWYFYSA-N 365.518 3.784 0 40 FHAB CCOC1CCN(C(=O)N[C@H](C)c2ccc(OC(C)C)c(OC)c2)CC1 50111213 YWFXJRPIVOTSJA-OAHLLOKOSA-N 364.486 3.754 0 40 FHAB O=C(c1n[nH]c2ccccc12)N(Cc1cccc(F)c1)C[C@H]1CCCO1 50662078 KZYVSSSFDUOEJR-MRXNPFEDSA-N 353.397 3.523 0 40 FHAB C[S@](=O)Cc1cccc(C(=O)NCc2nc(-c3ccccc3)cs2)c1 52820752 YNNBKRXUDCACLC-RUZDIDTESA-N 370.499 3.619 0 40 FHAB CC[C@@H](C(=O)N1CCC(NC(=O)c2ccsc2)CC1)c1ccccc1 56468080 ZRMSSVGMMJODFT-GOSISDBHSA-N 356.491 3.663 0 40 FHAB CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 57121320 UEVUGPZZNZIWNJ-LBPRGKRZSA-N 366.870 3.669 0 40 FHAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc3oc(-c4ccccc4F)nc3c2)C1 57326961 SLFJEDQBHUNJOU-GFCCVEGCSA-N 368.364 3.550 0 40 FHAB COc1ccc2oc(C(=O)N3CCN(c4ccccc4F)CC3)c(C)c2c1 57336588 UQSDWQFHYFNGQV-UHFFFAOYSA-N 368.408 3.851 0 40 FHAB Cc1nc([C@H](NC(=O)c2cccc(Cl)c2Cl)c2ccccc2)n[nH]1 57889919 KKVKUKSNTRDIRT-OAHLLOKOSA-N 361.232 3.939 0 40 FHAB Cc1cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccn2)no1 58196048 HDNMBTZIWXCJTL-UHFFFAOYSA-N 374.404 3.550 0 40 FHAB COc1cc(/C=C2/SC(=O)NC2=O)ccc1OCc1cccc(C)c1 59144756 OKVYKTOJWOCWGE-LICLKQGHSA-N 355.415 3.907 0 40 FHAB Cn1ccc2c(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)cccc21 61721204 AENNMXQPYQSAKA-RMKNXTFCSA-N 359.473 3.650 0 40 FHAB COc1ccc(-c2nc(-c3ccc(Br)o3)n[nH]2)cc1OC 62718916 NWHMLEYCGRAHSA-UHFFFAOYSA-N 350.172 3.511 0 40 FHAB Cc1ccc(C(=O)OCC(=O)NCc2ccc(C(F)(F)F)cc2)c(C)c1 67197978 MUISXAPZICOKMQ-UHFFFAOYSA-N 365.351 3.795 0 40 FHAB CC(C)[C@H](OC[C@@H]1CCCO1)C(=O)NCc1ccc(C(F)(F)F)cc1 67824949 SYDVHNXKQMGHNL-HOTGVXAUSA-N 359.388 3.542 0 40 FHAB CCS(=O)(=O)c1ccc(C(=O)Nc2cccc(N(C)C(C)C)c2)cc1 68164103 LRCIEKKHJLHRTJ-UHFFFAOYSA-N 360.479 3.577 0 40 FHAB Cc1ccccc1OCCCC(=O)Nc1ccc(-c2noc(O)n2)cc1 70012794 GHSMCSZLDYQIIQ-UHFFFAOYSA-N 353.378 3.548 0 40 FHAB Cc1cc(C(F)(F)F)nc(CCNC(=O)CCSc2ccccc2)n1 77101085 FJVSBZITIUQODM-UHFFFAOYSA-N 369.412 3.645 0 40 FHAB CC[C@H](Oc1cccc(C)c1)C(=O)NCc1nc(-c2cccs2)no1 78579691 CJRNASDQJOEPLE-AWEZNQCLSA-N 357.435 3.580 0 40 FHAB CC(C)(C)OC(=O)N1CCC(CN)(c2ccc(Br)cc2)CC1 79033378 IWQWLZYFXMTXAF-UHFFFAOYSA-N 369.303 3.677 0 40 FHAB CC(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)C1 79613743 VFDHKCZTNAOUGV-SFHVURJKSA-N 368.477 3.985 0 40 FHAB C[C@H](c1cccc(O)c1)N(C)CC(=O)Nc1nc2ccc(F)cc2s1 84656221 QQOUNYZGGDGJLZ-LLVKDONJSA-N 359.426 3.773 0 40 FHAB CCOC(=O)C1=C(C)N(CC2CC2)C(=O)N[C@H]1c1c(F)cccc1Cl 84792352 VMQVUPMHJRQOAW-MRXNPFEDSA-N 366.820 3.793 0 40 FHAB O=C(c1ccnc(OC2CCC2)c1)N1CCC(Nc2ccc(F)cc2)CC1 89570548 JAXYCLOLGQTVOJ-UHFFFAOYSA-N 369.440 3.869 0 40 FHAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCc1ccc(OC)cc1 95946203 UAJWNRQWUAQSOZ-UHFFFAOYSA-N 369.870 3.534 0 40 FHAB CCn1c(=O)c2ccccc2c2c(O)nc(-c3ccc(SC)cc3)n21 102224257 USZAPFNXFORLCK-UHFFFAOYSA-N 351.431 3.764 0 40 FHAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H]2CCN(C)C2)cc1 110652578 CFFDLIUTPFXBLE-SFHVURJKSA-N 374.488 3.529 0 40 FHAB O=S(=O)(Cc1cccc2cccnc12)N1CCC[C@]2(CC=CCC2)C1 117924106 FNPSZWPOMDOXMZ-HXUWFJFHSA-N 356.491 3.887 0 40 FHAB C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC1CCCCC1 149368649 XRBLBGRGXIBVQX-KRWDZBQOSA-N 364.489 3.772 0 40 FHAB NC[C@@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 218645835 CCBRIIRNEXJGBX-HRCADAONSA-N 356.274 3.508 0 40 FHAB O=S(=O)(Cc1cccc(Cl)c1)Nc1nnc(-c2ccccc2)s1 222567189 JFHQBUMYDTXLTK-UHFFFAOYSA-N 365.867 3.800 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c(C)c1 222718201 SWHKPWNGXWHYDK-CVEARBPZSA-N 355.434 3.719 0 40 FHAB CCO[C@](C)(CC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 225650325 NSULOFLYIZPGNO-OAQYLSRUSA-N 362.514 3.941 0 40 FHAB Cc1[nH]c2ccc(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc2c1C 257204790 AWHOZYQHXPHQSO-UHFFFAOYSA-N 362.838 3.557 0 40 FHAB Cc1cccc(Nc2cc([C@H]3CCCN3C(=O)c3cc(C)on3)ccn2)n1 257215882 CSAXVISZBWZGMT-QGZVFWFLSA-N 363.421 3.802 0 40 FHAB c1ccc(-c2ccc3nnc(C4CCN(Cc5ccncc5)CC4)n3n2)cc1 306127959 GLVIGSJCKDVRNW-UHFFFAOYSA-N 370.460 3.566 0 40 FHAB Cc1cc(S(=O)(=O)N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)sc1C 333333924 AEFFKDUVBOSPGI-GDBMZVCRSA-N 371.911 3.515 0 40 FHAB O=C(Nc1cnn(C[C@H]2CCCCO2)c1)C1(c2cccs2)CCCC1 390827932 MFPJLTNYYYGHCQ-MRXNPFEDSA-N 359.495 3.964 0 40 FHAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)N3CCCCCC3)C(=O)[C@@H]2C1 408686750 SSKJAZHDOKFXJS-SJLPKXTDSA-N 366.461 3.549 0 40 FHAB Cc1cc(C(=O)N2Cc3ccccc3C[C@@H]2c2nnc(C)o2)c2n[nH]cc2c1 523162138 JFDFTUNZHRJQEG-GOSISDBHSA-N 373.416 3.503 0 40 FHAB C[C@@H](c1ccccc1)c1cc(C(=O)N2CC[C@H](Nc3ccccc3)C2)n[nH]1 528401313 ATLDOTXEOIKVFP-LPHOPBHVSA-N 360.461 3.888 0 40 FHAB Cc1ccc(-c2[nH][nH]c(=NC(=O)c3cn(C)nc3C3CCCCC3)c2C)o1 578014862 KFDPEEIMHQHQPX-UHFFFAOYSA-N 367.453 3.742 0 40 FHAB CO[C@H]1CCC[C@H](CC(=O)NCc2c(C(=O)O)sc3ccccc23)C1 668275071 REZVBJWYUIAXLJ-STQMWFEESA-N 361.463 3.811 0 40 FHAB CC[C@@H]1CN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)C[C@H]1O 677708980 AOIYDSPFZRSQIX-DGCLKSJQSA-N 358.488 3.868 0 40 FHAB C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)Nc1ccc2c(c1)C(=O)NCC2 680908953 VQDRZTPZXJHTRV-JLTOFOAXSA-N 363.461 3.808 0 40 FHAB Cc1ccc(O)cc1C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1 1585037853 DFGHAVGOCPGCBI-UHFFFAOYSA-N 362.385 3.844 0 40 FHAB CC[C@@H](C)[C@@H](C)C(=O)N(C)CCN(C)C(=O)C12CC(C(C)(C)C)(C1)C2 1615612330 WPOUWAQMINLSAO-AJHHTPGJSA-N 350.547 3.802 0 40 FHAB COc1ccc(OS(=O)(=O)c2ccc(Cl)c(Cl)c2OC)cc1 1776004746 ZUDKUWTVOQSNLC-UHFFFAOYSA-N 363.218 3.778 0 40 FHAB Cc1cccc(Nc2cc(C)nc([C@H]3CCCCN3Cc3cc[nH]n3)n2)n1 1848353803 NFRBRSQSFZXWIE-QGZVFWFLSA-N 363.469 3.682 0 40 FHAB Cc1ccc(N2CC(=O)N(c3ccc(C)cc3)[C@@H](c3cccnc3)C2=O)cc1 15413335 BKCQJCUPONMPQE-QFIPXVFZSA-N 371.440 3.820 0 40 FHAB CC[C@H](C)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 7129713 GRKTZHCWGWPCKS-MNOVXSKESA-N 365.524 3.930 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)OCc2ccccc2)cc1C 831398 FWEXCJNJQKWFSF-SFHVURJKSA-N 370.474 3.954 0 40 FHAB CCN(Cc1cccc(F)c1)C(=O)CSc1nnc(NC(C)C)s1 11151326 YPKPRAGSXVJGGJ-UHFFFAOYSA-N 368.503 3.638 0 40 FHAB CCn1c(C(=O)Nc2cccc(CN3CCOCC3)c2)cc2sccc21 40786565 OUUPZWPURUOKSO-UHFFFAOYSA-N 369.490 3.807 0 40 FHAB CCN(C(=O)Cn1ccc(C(F)(F)F)n1)[C@H](C)c1cccc(OC)c1 45507458 FJZYCVZVDOSRKG-GFCCVEGCSA-N 355.360 3.520 0 40 FHAB O=C(NC1CCCC1)c1ccc2c(c1)C[C@@H](c1ccc(F)cc1)OC2=O 36635962 SBNGIVYKKDJPMT-IBGZPJMESA-N 353.393 3.952 0 40 FHAB Cc1nc(SCCOc2ccc3ccccc3c2)sc1CC(N)=O 32827062 CTDCKUDGCBCRKE-UHFFFAOYSA-N 358.488 3.804 0 40 FHAB CC(C)Oc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 41272943 ZAFXLXQYKQUDAP-STQMWFEESA-N 372.387 3.650 0 40 FHAB CN(CCOc1ccc(Br)cc1)C(=O)/C=C/c1ccco1 32970878 QLLFMTAQRSEGRZ-CMDGGOBGSA-N 350.212 3.593 0 40 FHAB Cc1csc2nc(CSc3nc4cc(Cl)ccc4[nH]3)cc(=O)n12 9484372 DOOOOUPYHBISBO-UHFFFAOYSA-N 362.867 3.886 0 40 FHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)O[C@H](C)C(=O)NC(C)(C)C 22133546 GQBAKZQHQLCQKR-LLVKDONJSA-N 368.499 3.501 0 40 FHAB C[S@](=O)c1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 22190860 VWZJKMPXYDATSM-AREMUKBSSA-N 368.458 3.585 0 40 FHAB O=C(Nc1ccccc1-n1ccnc1)c1ccc(OC[C@H]2CCCO2)cc1 45940331 HJOSSHMXUONKSF-GOSISDBHSA-N 363.417 3.682 0 40 FHAB CC(=O)Nc1ccc(SCC(=O)N[C@@H]2CCCc3ccccc32)cc1 2660080 WHGFNCYGCSLUKG-LJQANCHMSA-N 354.475 3.931 0 40 FHAB O=C(Nc1ncc(Cc2ccccc2F)s1)[C@H]1COc2ccccc2O1 818354 KGDALVFLXWLNIU-QGZVFWFLSA-N 370.405 3.652 0 40 FHAB CC(=O)Nc1cc(NS(=O)(=O)c2c(C)cc(C)cc2C)ccc1F 23053521 WWQMHURFYIMDEW-UHFFFAOYSA-N 350.415 3.510 0 40 FHAB O=C(Nc1ccc(-n2cccn2)nc1)c1occc1COc1ccccc1 23073543 RFSJNEPLNALHAX-UHFFFAOYSA-N 360.373 3.692 0 40 FHAB CCC1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2F)CC1 119900304 BFWPRDOHKWSGKH-UHFFFAOYSA-N 371.250 3.612 0 40 FHAB CCc1ncc2c(n1)CN([C@H](C(=O)Nc1ccccc1)c1ccccc1)CC2 106374410 JOTSOGMCSJIGJY-QFIPXVFZSA-N 372.472 3.777 0 40 FHAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N(C)C3CCCCC3)c12 22474861 KYDSXJYWERWWMD-UHFFFAOYSA-N 352.438 3.941 0 40 FHAB CCCOc1ccc(NC(=O)CCc2nc(-c3cccnc3)no2)c(C)c1 55990394 HTXSXIQIZDAVGC-UHFFFAOYSA-N 366.421 3.800 0 40 FHAB CCN(Cc1cccc(F)c1)C(=O)NCc1ccnc(N2CCCC2)c1 26303346 GNJCLEKNLWHKMN-UHFFFAOYSA-N 356.445 3.553 0 40 FHAB CCOC(=O)CCCSc1nnc(-c2cccnc2)n1-c1ccccc1 1792983 AUSBOLUUAYBBBH-UHFFFAOYSA-N 368.462 3.765 0 40 FHAB Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)[C@@]1(C)C[C@H]2C=C[C@H]1C2 112250941 CLVJTPPIEGDKFJ-GXZWQRSESA-N 364.449 3.820 0 40 FHAB CCCC(=O)Nc1ccc(CNC(=O)c2ccccc2OC(F)F)cc1 44596049 MSWBBZKAXNVMDT-UHFFFAOYSA-N 362.376 3.957 0 40 FHAB O=C(Cc1ccc2c(c1)CCC2)NC[C@H](c1ccco1)N1CCCCC1 44515479 SAQUUBWSNDYDQS-HXUWFJFHSA-N 352.478 3.654 0 40 FHAB CC(=O)Nc1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 3194702 SFCIOKHFDOFTQU-UHFFFAOYSA-N 353.205 3.969 0 40 FHAB Cc1ccc(F)cc1NC(=O)[C@@H](C)Sc1nnc(OC(C)C)s1 58193300 LAQXEBQZPVUIJT-SNVBAGLBSA-N 355.460 3.892 0 40 FHAB COc1cc(SC)ccc1C(=O)NCc1ccccc1Cn1cccn1 10234993 LSRSBTSKAPGGJJ-UHFFFAOYSA-N 367.474 3.592 0 40 FHAB COc1ccc(C(C)=O)cc1CSCC(=O)Nc1ccc(C)cc1O 7540553 SSKFRNMXEMGBMG-UHFFFAOYSA-N 359.447 3.784 0 40 FHAB COc1cc(OC)c(N[C@@H](C(=O)NC2CC2)c2ccccc2)cc1Cl 7546454 RSFSRJPCOMZNSP-GOSISDBHSA-N 360.841 3.789 0 40 FHAB O=C(COc1ccc2ccccc2c1)NC[C@H]1CCN(c2ccccc2)C1 27844603 DHVIBTBELXRANR-GOSISDBHSA-N 360.457 3.861 0 40 FHAB O=C([C@H]1CC(c2cccc(F)c2)=NO1)N(Cc1ccco1)C1CCCC1 58356186 ZTTMJMLFJCGWHM-LJQANCHMSA-N 356.397 3.883 0 40 FHAB Cc1ccc(/C=C/C(=O)OCC(=O)N[C@@H](C)CCc2ccccc2)cc1 3283363 FONOSVRYSPZJFA-JJJPLKNQSA-N 351.446 3.689 0 40 FHAB COc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C3(c2ccccc2)c2ccccc2)c1 2246828 VMOOMKDGOZKWPW-SFTDATJTSA-N 369.420 3.801 0 40 FHAB CSc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1 12605385 VUUKPAYGVNIZKZ-UHFFFAOYSA-N 357.840 3.561 0 40 FHAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(F)cc1F 3318009 DWEYHRSAXURSRV-UHFFFAOYSA-N 361.388 3.949 0 40 FHAB COc1ccc(OC)c(/C=C/C(=O)OCC(=O)c2cc(C)ccc2C)c1 3331794 AWGNQDVAVYIICG-JXMROGBWSA-N 354.402 3.760 0 40 FHAB Cc1ccc(CN2C[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)CC2=O)cc1 7653753 SNAACEPUQXHOJD-INIZCTEOSA-N 356.853 3.944 0 40 FHAB Cc1ccc(-n2ccnc2SCC(=O)Nc2cccc(C)n2)c(C)c1 12824412 MIJROUZLLZSUQA-UHFFFAOYSA-N 352.463 3.923 0 40 FHAB CCOc1ccc(C2=N/C(=C\c3cnn(-c4ccccc4)c3)C(=O)O2)cc1 12853583 RNVMVIAGDNBSGN-UNOMPAQXSA-N 359.385 3.616 0 40 FHAB C[C@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1cc2ccccc2o1 12934516 VAIFFLDFBBXDIN-XHDPSFHLSA-N 352.365 3.875 0 40 FHAB O=C1c2ccccc2N[C@H](c2ccc(O)cc2)N1c1ccc2c(c1)OCO2 7885006 VFKDBKDXGISOFC-FQEVSTJZSA-N 360.369 3.892 0 40 FHAB CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCC2)cc1 4066326 HUZSRMOAHWQRAD-SFHVURJKSA-N 358.438 3.589 0 40 FHAB CCCN1C(=O)[C@](O)(CC(=O)c2ccc(-n3cccc3)cc2)c2ccccc21 4122637 FOCPGGWQWAKRHR-QHCPKHFHSA-N 374.440 3.695 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)COc1ccc(NC(=O)c2ccco2)cc1 39475802 RAADJTYVOGMPCQ-YOEHRIQHSA-N 356.422 3.606 0 40 FHAB O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(-n2ccnc2)cc1 65498091 IGLOPLILBMZMIA-UHFFFAOYSA-N 359.351 3.750 0 40 FHAB CN(C)[C@@H](CNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1ccccc1 14061953 QOGAKDLSKWHCLD-SFHVURJKSA-N 368.868 3.763 0 40 FHAB C[C@H](NC(=O)c1csc(-c2ncccn2)n1)C12CC3CC(CC(C3)C1)C2 65591154 ZDILCXAILZPKSC-PGBBXINNSA-N 368.506 3.935 0 40 FHAB Cc1cc(C)c(C(=O)CCCC(=O)NCc2cn3c(n2)CCCC3)c(C)c1 65591747 WRRCSNDMOZZHET-UHFFFAOYSA-N 367.493 3.814 0 40 FHAB COc1ccc2oc(C(=O)O[C@@H](C)C(=O)NCc3ccccc3)c(C)c2c1 4524793 DXNALCJFNAPWNH-AWEZNQCLSA-N 367.401 3.612 0 40 FHAB CCn1cc(C(=O)Nc2ccc(OC)cc2OC)c(=O)c2cc(C)ccc21 408713063 IVUODLFTRWTWBE-UHFFFAOYSA-N 366.417 3.599 0 40 FHAB CCOC(=O)[C@@H]1C(=O)OC(C)(C)[C@H]1[C@H](CC)C(=O)c1c(C)cc(C)cc1C 4686194 AUGICTWZDMWTJI-JQHSSLGASA-N 374.477 3.952 0 40 FHAB C[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1)C12CC3CC(CC(C3)C1)C2 5560470 UCRYAXCLNDPCDW-HDPALTEOSA-N 355.450 3.848 0 40 FHAB O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)NC1CCCCC1 27933261 VLRPSUDZHHYVIJ-UHFFFAOYSA-N 358.408 3.801 0 40 FHAB COc1ccc2nc(S[C@@H](C)C(=O)N(C)Cc3cccc(F)c3)[nH]c2c1 6972484 LEQIOARSTRGEBB-LBPRGKRZSA-N 373.453 3.850 0 40 FHAB CNc1nc(-c2ccccc2)c(C(=O)Nc2ccc3c(c2)OCO3)s1 7016271 RADJJWUKIMJPHT-UHFFFAOYSA-N 353.403 3.833 0 40 FHAB CCc1n[nH]c(SCC(=O)Nc2ccccc2Cc2ccccc2)n1 8753373 KCTBNISNXSMTOB-UHFFFAOYSA-N 352.463 3.689 0 40 FHAB CCOc1ccc(CN(C)Cn2nc(-c3ccncc3)oc2=S)cc1 8734709 WORFAYDAMFQANT-UHFFFAOYSA-N 356.451 3.756 0 40 FHAB Cc1ccc(-n2cnnc2SCC(=O)N(C)C2CCCCC2)c(C)c1 8707382 KTYLYBJNKZDVHW-UHFFFAOYSA-N 358.511 3.767 0 40 FHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccccc1OC(F)F 8924745 LNENBHYTPNELAO-CYBMUJFWSA-N 372.375 3.702 0 40 FHAB CCOc1ccc(NC(=O)c2ccccc2SCC(=O)N(C)C)cc1 19676792 RKHIAONAOQXWCI-UHFFFAOYSA-N 358.463 3.518 0 40 FHAB CN1CCN(c2ccc(Cl)cc2NC(=O)c2c(F)cccc2F)CC1 9471234 LJZYEBQZRZEQTB-UHFFFAOYSA-N 365.811 3.622 0 40 FHAB Cc1nc(CN2CCc3cc(Oc4ccccc4)nnc3CC2)cs1 306140515 UVZFRIYCHLRPPA-UHFFFAOYSA-N 352.463 3.635 0 40 FHAB Cc1ccc(NC(=O)COCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 9849754 IRKKAYQOGDAGNL-UHFFFAOYSA-N 366.339 3.608 0 40 FHAB O=C(Nc1ccc(-n2cccn2)c(Cl)c1)N[C@H]1CCC[C@H]1n1ccnc1 79019660 CUIOBYDOEYRVNI-DOTOQJQBSA-N 370.844 3.638 0 40 FHAB CC[C@H](C)N(CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)[C@@H](C)CC 95996019 KMCKFRVZEATJEA-JYJNAYRXSA-N 350.503 3.780 0 40 FHAB COc1ccc(CN(C)C(=O)[C@H](C)Oc2ccccc2Cl)cc1OC 22523766 GWDSIBLYBGJDNK-ZDUSSCGKSA-N 363.841 3.783 0 40 FHAB CCN(CC)c1ccc(NC(=O)[C@@H](C)n2cc(Br)cn2)cc1 28224372 MLMRANPXADCJEL-GFCCVEGCSA-N 365.275 3.692 0 40 FHAB COCC(=O)NC1CCC2(CCc3ncc(-c4cc(C)cc(C)c4)n32)CC1 306143663 YIHRNUIWOSPLNO-UHFFFAOYSA-N 367.493 3.514 0 40 FHAB CCc1nnc(NC(=O)CSc2nc3c(C)cccc3cc2C)s1 35288638 ISGKJXPUUBLQKA-UHFFFAOYSA-N 358.492 3.996 0 40 FHAB CCC[C@@H](C)NS(=O)(=O)c1ccc(NC2CCCCC2)c(C(=O)O)c1 217657270 BVLCXIDHFCQZQT-CYBMUJFWSA-N 368.499 3.596 0 40 FHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)c1 38772846 KMSXHIJLYUFSCZ-QKLQHJQFSA-N 360.542 3.863 0 40 FHAB CC(C)(C)C(=O)Nc1ccc(-c2nn3c(C(F)(F)F)nnc3s2)cc1 72193673 YTXZQDPZPGFJRR-UHFFFAOYSA-N 369.372 3.856 0 40 FHAB COC(=O)c1cn(C(=O)/C=C/c2ccc(OC)cc2OC)c2ccccc12 38830371 QGVFGFPBMCSHHJ-PKNBQFBNSA-N 365.385 3.799 0 40 FHAB O=C(CCc1nc(-c2cccc(F)c2)no1)NCc1cccc(Cl)c1 72332158 PSSPTNFOMLMYGV-UHFFFAOYSA-N 359.788 3.778 0 40 FHAB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(C)cc2)c(OC)c1OC 44903253 OQJVKTJZZKFJQQ-HFBDAHEESA-N 355.434 3.911 0 40 FHAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C 224574191 HQSONQFRAWUFJV-OALUTQOASA-N 364.474 3.606 0 40 FHAB COc1ccc(CC(=O)NCc2cccc(CN3CCCCC3)c2)cc1C 224699256 UMAMEJJBDWDMRV-UHFFFAOYSA-N 366.505 3.848 0 40 FHAB CCOc1cc(-c2nc(COc3ccc(F)cc3F)n[nH]2)ccc1OC 85384991 YLLFNPUAIGWNAB-UHFFFAOYSA-N 361.348 3.736 0 40 FHAB COc1ccc(CCC(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 225319113 AUGIAMQIHZJWOO-UHFFFAOYSA-N 365.433 3.645 0 40 FHAB C[C@H]1CN(C(=O)NC[C@H]2CCOc3ccccc32)Cc2ccccc2O1 332980646 MJBFYSJSWHNXSF-JKSUJKDBSA-N 352.434 3.545 0 40 FHAB O=C(Nc1ccccc1)[C@H]1CN(Cc2ccc(F)cc2)CC12CCOCC2 96052258 FSKHDJIYPWPPMY-HXUWFJFHSA-N 368.452 3.693 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1ccc2c(c1)OCO2 96221394 NEBUCHISDGWGPI-QGZVFWFLSA-N 364.401 3.713 0 40 FHAB biogenic CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)C3CCCC3)CCO2)n1 257237105 HFEQIWFXPGTNRY-LJQANCHMSA-N 369.465 3.698 0 40 FHAB Cc1ccccc1[C@@H](NC(=O)c1cc(C(F)(F)F)cnc1O)C1CC1 635553538 FHYDMDFMGMFPDF-HNNXBMFYSA-N 350.340 3.996 0 40 FHAB CCCN(C(=O)c1ccc(-n2cnc3ccccc32)cc1)[C@@H]1CCN(C)C1 649000574 XXPRRELNRNENLU-LJQANCHMSA-N 362.477 3.582 0 40 FHAB O=S(=O)(Cc1nc([C@H]2CCc3ccccc32)no1)c1ccc(Cl)cc1 680750608 ICSARGTXUPZJRI-INIZCTEOSA-N 374.849 3.775 0 40 FHAB Cn1nccc1C(=O)N1CCC2(CCc3cc(-c4ccoc4)ccc32)CC1 585105658 ZKTLRPFBYMXVHO-UHFFFAOYSA-N 361.445 3.800 0 40 FHAB Cn1cc([C@H]2CCCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)C2)cn1 681289915 NUMXVJNELMNYIN-AWEZNQCLSA-N 361.873 3.637 0 40 FHAB Cc1ccc(N2CCC[C@H](C(=O)N3c4ccc(F)cc4CC[C@@H]3C)C2)nn1 585234400 PNDNWQJWBCCUGH-RDJZCZTQSA-N 368.456 3.508 0 40 FHAB COc1cccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(C)CC2)c1 5254032 SYYKMDWJAUSQSW-HXUWFJFHSA-N 363.461 3.661 0 40 FHAB O=C(CSc1nc2ncccc2[nH]1)Nc1cccc(C(F)(F)F)c1 5409190 NBMNCNXHWLCFOK-UHFFFAOYSA-N 352.341 3.708 0 40 FHAB c1csc(-c2nc3cnccn3c2NCc2ccc3c(c2)OCO3)c1 12113780 HBHDGNRFASXLSJ-UHFFFAOYSA-N 350.403 3.799 0 40 FHAB C[C@@H]1Sc2ccc(C(=O)Nc3ccccc3OC(F)F)cc2NC1=O 12824183 AKQLOHBXTFLUJR-VIFPVBQESA-N 364.373 3.973 0 40 FHAB CN(CC(=O)NCc1ccc(Cl)cc1Cl)Cc1ccc(F)cc1 13095713 AFZPLFOKOBFDBU-UHFFFAOYSA-N 355.240 3.881 0 40 FHAB O=C(Cc1cccs1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 13267172 YXTUGOXLEVIWLP-GOSISDBHSA-N 351.475 3.729 0 40 FHAB C[C@@H](Oc1cccc2ccccc12)C(=O)N1CCN(Cc2ccccc2)CC1 13709127 CCUXJNKNFINVOS-LJQANCHMSA-N 374.484 3.952 0 40 FHAB Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3c(C)n[nH]c3C)c2)s1 14404649 JIKICVXBJMDGOC-UHFFFAOYSA-N 354.435 3.901 0 40 FHAB O=C(COC(=O)c1ccoc1)N[C@H](c1ccc(F)cc1)c1cccs1 16158830 IGXCHONPYQFURO-QGZVFWFLSA-N 359.378 3.543 0 40 FHAB O=C(NCc1ccc2c(c1)CCCO2)c1ccc(Oc2ncccn2)cc1 19403950 MEZFRKQISQKLLZ-UHFFFAOYSA-N 361.401 3.524 0 40 FHAB Fc1ccc(CN2CCO[C@@H](c3nccnc3-c3cccc(F)c3)C2)cc1 19693178 HRCYLCIGJFNMMW-LJQANCHMSA-N 367.399 3.995 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)/C=C/c2ccc(OC)c(OC)c2)c1 8355036 NMNZETUPGAQQRK-DPQIITEBSA-N 371.433 3.612 0 40 FHAB Cc1cc(C)cc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c1 5189469 BJLCZHGSRINLAO-UHFFFAOYSA-N 351.855 3.759 0 40 FHAB Cc1cnccc1OCC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 1889179587 SJNNRLWBHCYMMR-UHFFFAOYSA-N 358.869 3.904 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H]1CCCS(=O)(=O)CCC(F)(F)F 953091187 OXTXRGAXKDTPJU-GFCCVEGCSA-N 373.437 3.533 0 40 FHAB O=C(NCC[C@@H]1CC[C@H](C(F)(F)F)O1)c1cc(Br)cs1 1133340080 PGRGXDFHMVKKSQ-WCBMZHEXSA-N 372.206 3.740 0 40 FHAB Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccc3c(c2)OCO3)c1 4120309 IQRQVNBNRHBDPT-UHFFFAOYSA-N 368.458 3.777 0 40 FHAB O=C(COc1ccccc1)N1CCN=C1SCc1ccccc1Cl 4120278 JJLZBZNLAKFFPR-UHFFFAOYSA-N 360.866 3.850 0 40 FHAB Cc1nc(-c2ccccc2)sc1CCNS(=O)(=O)c1cccs1 4338414 BTHIDAIHXMEHOU-UHFFFAOYSA-N 364.517 3.701 0 40 FHAB Cc1nc(-c2nnn(-c3ccc(F)cc3)c2C)sc1C(=O)NCC(C)C 38487603 RSDACYUMGSWMOQ-UHFFFAOYSA-N 373.457 3.533 0 40 FHAB O=C(CCC(=O)N1CCC[C@H](Oc2ccncc2Cl)C1)c1ccccc1 575612791 NIZZXQNHNAKVAW-INIZCTEOSA-N 372.852 3.768 0 40 FHAB COC(=O)c1ccccc1C(=O)N1CCCC[C@H](c2ccc(OC)cc2)C1 208003771 LPRNMZCJARRNOF-KRWDZBQOSA-N 367.445 3.892 0 40 FHAB Cc1nn(C)c2ncc(NC(=O)Cc3csc(-c4ccccc4)n3)cc12 24032799 DVMSLCPGMPGHCA-UHFFFAOYSA-N 363.446 3.581 0 40 FHAB COc1ccc(-c2n[nH]c(SCc3noc(-c4cccs4)n3)n2)cc1 40012661 NKMZIUFYBNIELP-UHFFFAOYSA-N 371.447 3.884 0 40 FHAB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2cccc(O)c2)o1 976135 RHJZARIKWKIQIU-LBPRGKRZSA-N 355.419 3.870 0 40 FHAB CC1CCN(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)CC1 1332897 YJEPALARLOXISZ-UHFFFAOYSA-N 356.451 3.569 0 40 FHAB CN1CCN(c2ccccc2NC(=O)c2cc(Cl)cc(Cl)c2)CC1 1401304 USFIDDUWCCJBCA-UHFFFAOYSA-N 364.276 3.998 0 40 FHAB CC(C)c1nc2oc3c(NC[C@H](C)O)ncnc3c2c2c1COC(C)(C)C2 2435348 FWWTWJNFRBNIHJ-NSHDSACASA-N 370.453 3.538 0 40 FHAB Cc1cc(C)c(NC(=O)c2cc3c(=O)n4cccc(C)c4nc3n2C)c(C)c1 2917433 FMPBOFNAEIZSPD-UHFFFAOYSA-N 374.444 3.672 0 40 FHAB CC(C)CCNC(=O)CSc1nnc(Nc2ccccc2F)s1 3469203 WCRMZPJGPHOWJZ-UHFFFAOYSA-N 354.476 3.675 0 40 FHAB CCC(CC)NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@H](C)C2 3580015 ODDYYYSBSKFKBM-AWEZNQCLSA-N 368.477 3.821 0 40 FHAB CCC(=O)c1ccc(OC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc1 3603345 HXRNQLZWKMFERP-UHFFFAOYSA-N 364.401 3.789 0 40 FHAB Oc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCCO3)cc1 3911629 KHSKNUHXDDCAFX-UHFFFAOYSA-N 360.373 3.617 0 40 FHAB CNC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCC2 4335443 QHGWWVDVBHOVAS-MDZDMXLPSA-N 360.866 3.902 0 40 FHAB COc1ccccc1-c1ccc(SCC(=O)N2CCC(C)CC2)nn1 4356177 DNRUZJHGWZMSPA-UHFFFAOYSA-N 357.479 3.503 0 40 FHAB COc1cc2ccccc2cc1C(=O)OCC(=O)NC1CCCCCC1 4836226 PFGXDFRVEMSIFL-UHFFFAOYSA-N 355.434 3.844 0 40 FHAB CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3[C@@H]2c2cccs2)cc1 5027032 LWAIDDOZKJKBEG-KRWDZBQOSA-N 367.430 3.706 0 40 FHAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1nncn1C 6063321 GVPOWCXYFSLEBO-UHFFFAOYSA-N 372.494 3.535 0 40 FHAB NC(=O)c1c(NC(=O)Cc2c(Cl)cccc2Cl)sc2c1CCC2 6509360 NWFJDZPJEHULFL-UHFFFAOYSA-N 369.273 3.824 0 40 FHAB CCCCCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 6597309 KOQIRZZMOVXARC-FQEVSTJZSA-N 372.490 3.974 0 40 FHAB COC(=O)c1ccc(-c2n(O)c3c([n+]2[O-])-c2cccc4cccc-3c24)cc1 6640588 GZTSKMSJVGLCOC-UHFFFAOYSA-N 358.353 3.613 0 40 FHAB CC[C@@H]1Oc2ccccc2C(=O)N(CC(=O)c2ccc3ccccc3c2)C1=O 6669816 XAUGKJDPKSSFSS-FQEVSTJZSA-N 373.408 3.863 0 40 FHAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1n[nH]c2ccccc12 7138918 RLVRLOUYTJJBEF-UHFFFAOYSA-N 364.386 3.667 0 40 FHAB CN(CCCNC(=O)CSc1ccc(F)cc1F)c1ccccc1 7244616 GKHMKDUITOQZPB-UHFFFAOYSA-N 350.434 3.700 0 40 FHAB CCOC(=O)c1cc(CC)sc1NC(=O)CNc1ccc(F)cc1 7971694 ALJNIZYIAPPCDJ-UHFFFAOYSA-N 350.415 3.677 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c1 8037495 SUVBBCUDKUZGFH-UHFFFAOYSA-N 363.417 3.836 0 40 FHAB COc1cccc(CN(C)c2ncnc3sc4c(c23)CCC4)c1OC 8063352 JEXFAPXLCAHQRX-UHFFFAOYSA-N 355.463 3.834 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 8162002 XKEKSPZFAMPMCW-AWEZNQCLSA-N 360.841 3.583 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2cc(OC)ccc2OC)c1C 8429159 ARMVWAPERAMEKK-ZDUSSCGKSA-N 374.437 3.509 0 40 FHAB COc1cccc(C(=O)NCC2(N3CCCCC3)CCCCC2)c1OC 9315584 DYRXSMZUEHMWHS-UHFFFAOYSA-N 360.498 3.622 0 40 FHAB COc1cccc([C@@H](Nc2ncnc3sccc23)c2nccn2C)c1 9318048 SSZZYXJXWLOGIG-OAHLLOKOSA-N 351.435 3.635 0 40 FHAB O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc2c(c1)OCO2 9340937 SIBDOSOXQXDBLP-UHFFFAOYSA-N 373.368 3.549 0 40 FHAB Fc1cccc(-n2nnnc2SCc2coc(-c3ccccc3)n2)c1 9365665 FBVDNGGCGDHUGB-UHFFFAOYSA-N 353.382 3.749 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c1C 9378180 MDXCLMSEBJYZLU-CYBMUJFWSA-N 350.422 3.511 0 40 FHAB Cc1noc(C)c1CC(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 9513688 OVQQDPXFFVECQS-UHFFFAOYSA-N 355.419 3.531 0 40 FHAB CC(C)(C)c1ccc(C(=O)NCc2nnnn2-c2ccc(Cl)cc2)cc1 9570717 XAVRFNJAYBGITQ-UHFFFAOYSA-N 369.856 3.543 0 40 FHAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2nccs2)CC1 10270035 KFJYLARGKLNYDC-OAHLLOKOSA-N 373.522 3.557 0 40 FHAB Cc1nc(-c2cccs2)c(CC(=O)NCc2ccc3c(c2)OCO3)s1 11905905 MRMKSGTVERJJOV-UHFFFAOYSA-N 372.471 3.768 0 40 FHAB CC(=O)c1cccc(NCc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)c1 12148008 KYQYCQFQZHWMSW-UHFFFAOYSA-N 372.428 3.837 0 40 FHAB CC(=O)Nc1c(S(=O)(=O)c2ccc(F)cc2)c(C)c(C)n1C(C)C 12389545 FOURCQWNKYRTFH-UHFFFAOYSA-N 352.431 3.616 0 40 FHAB O=S(=O)(Nc1cccc2c1CCCC2)c1ccc2c(c1)OCCCO2 12508050 YNMVDLITKMGZCN-UHFFFAOYSA-N 359.447 3.528 0 40 FHAB C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc4[nH]cnc4c3)n2)C1 12539980 PENNCBAGHWVPBI-GFCCVEGCSA-N 355.467 3.504 0 40 FHAB Cc1c(C(=O)NCc2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 12556232 GLZXGCYBNSXFDH-UHFFFAOYSA-N 360.339 3.525 0 40 FHAB CCOc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1OC 12868379 YRAUDQFZKQASMQ-LJQANCHMSA-N 368.477 3.661 0 40 FHAB COc1cccc(CC(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1 12996900 WMGPRTPFQFJALJ-UHFFFAOYSA-N 366.442 3.935 0 40 FHAB COc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1OC(F)F 13021732 IVCSYJARKDOWBU-XVNBXDOJSA-N 363.316 3.677 0 40 FHAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)on1 13225945 MCRSPSTVPKZECK-KBPBESRZSA-N 358.467 3.564 0 40 FHAB Cc1ccc(N2C[C@@H](c3nnc(NC(=O)CC(C)(C)C)s3)CC2=O)cc1 13944366 HDFBTELFHOLMFJ-ZDUSSCGKSA-N 372.494 3.742 0 40 FHAB C[C@H](NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(Cl)cc1 14140492 CJZGGAWUGSRABN-HNNXBMFYSA-N 358.869 3.663 0 40 FHAB COc1cc(CNC(=O)N[C@H](C)c2cc(C)ccc2C)cc(OC)c1OC 14181403 CIFPKYFNCALUHS-OAHLLOKOSA-N 372.465 3.890 0 40 FHAB CC(=O)c1csc(NC(=O)/C=C/c2ccc(Br)s2)n1 15201097 GGAQXKAWSDDUTB-HWKANZROSA-N 357.254 3.822 0 40 FHAB Cc1ccc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)s1 19217056 RYCGETUHSQNCRD-ZHALLVOQSA-N 358.482 3.898 0 40 FHAB CC(C)Oc1ccc(-c2csc(NC(=O)[C@@H](C)n3ccnc3)n2)cc1 19450722 ACLHBWRPOGVGSH-CYBMUJFWSA-N 356.451 3.994 0 40 FHAB CCc1nccn1C[C@@H](C)C(=O)Nc1ncc(Cc2ccccc2F)s1 19523601 CXGNNXJDUUECJS-CYBMUJFWSA-N 372.469 3.907 0 40 FHAB CCN(C(C)=O)[C@@H]1CN(C(=O)CCc2ccccc2)C2(CCCCC2)C1 19695901 QRPVIHUVAPCAGI-FQEVSTJZSA-N 356.510 3.791 0 40 FHAB O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1ccccc1)CN2Cc1ccc(F)cc1 19712609 AAJUGSLQYBWDOF-VWPQPMDRSA-N 352.453 3.853 0 40 FHAB COc1ccc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1 20144656 IZYDYVMUCKSDSQ-UHFFFAOYSA-N 367.401 3.773 0 40 FHAB CCCN1CCc2c(sc3ncn4nc(-c5cccs5)nc4c23)C1 20567279 SJQLVLPBKWDTSI-UHFFFAOYSA-N 355.492 3.836 0 40 FHAB O=C(CCN1CCN(Cc2cccs2)CC1)Nc1ccccc1Cl 22932119 FVAWSTZQWZLEPG-UHFFFAOYSA-N 363.914 3.548 0 40 FHAB CN(C)[C@H](CNC(=O)c1cccnc1Oc1ccccc1)c1cccs1 25537952 GIWLQWXOEYZUDS-QGZVFWFLSA-N 367.474 3.968 0 40 FHAB Clc1cc(CNCCc2ccc3c(c2)OCO3)cc2c1OCCCO2 26317315 SUVDCLSPNZNOBF-UHFFFAOYSA-N 361.825 3.562 0 40 FHAB O=C(Nc1ccccc1)[C@H]1CC(O)=Nc2cc(-c3ccc(F)cc3)nn21 32090874 TUXZRTCIEXBJTA-MRXNPFEDSA-N 350.353 3.861 0 40 FHAB CCOc1ccccc1CN(C[C@H](C)O)C(=O)/C=C/c1cccc(F)c1 32802977 LISDPQKXHZPEJR-PCUGXKRQSA-N 357.425 3.647 0 40 FHAB O=C(NCc1cccc(Cl)c1)NC1CCN(Cc2ccccc2)CC1 32862394 MSZDJRPLNZPNJU-UHFFFAOYSA-N 357.885 3.804 0 40 FHAB Cc1ccc(-c2nc(CNC(=O)c3ccc(Br)cc3)no2)cc1 33551193 IOBZKTRJJVHOMZ-UHFFFAOYSA-N 372.222 3.738 0 40 FHAB N[C@H](c1ccc(Br)cc1)[C@H](N)c1ccc(Br)cc1 34256740 XURRKKYAGFWNPT-ZIAGYGMSSA-N 370.088 3.911 0 40 FHAB COc1cccc([C@H](c2sc3nc(C)nn3c2O)N2CCC[C@H](C)C2)c1 35191084 YKZFUISDXBVZIP-BLLLJJGKSA-N 372.494 3.635 0 40 FHAB CCc1ccccc1NC(=O)c1cc(-n2cnnc2)ccc1Br 35684133 GSCHVNNQWQCVRN-UHFFFAOYSA-N 371.238 3.845 0 40 FHAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1ccc(C)cc1 38500720 CZGLESRIDJQFPE-UHFFFAOYSA-N 353.397 3.649 0 40 FHAB Cc1nc(S)sc1CC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 40034362 WIPHDMBOYJGPSZ-LBPRGKRZSA-N 372.519 3.565 0 40 FHAB CCc1nn2c(ncc3c(=O)n(C(C)C)ccc32)c1-c1ccc(F)cc1 40396702 NIBPVCSZACDKFQ-UHFFFAOYSA-N 350.397 3.994 0 40 FHAB CN(C)Cc1cccc(CNC(=O)Nc2nnc(C3CCCCC3)s2)c1 43602178 AYCULOVVINPWBH-UHFFFAOYSA-N 373.526 3.969 0 40 FHAB Cc1cccc(C)c1OCCNC(=O)Nc1cccc(-c2nnco2)c1 47125840 PYPKXPHGULJQTM-UHFFFAOYSA-N 352.394 3.554 0 40 FHAB COC(=O)C[C@H]1CCCCN1C(=O)/C=C/c1cccc(Cl)c1Cl 48354545 HOGGJWDVCOZKOD-MMQHEFTJSA-N 356.249 3.951 0 40 FHAB COc1cc2c(cc1OC)CN([C@H](C)c1nc(-c3cccs3)no1)CC2 48362132 MYBCKUPWCRQOPC-GFCCVEGCSA-N 371.462 3.935 0 40 FHAB Cc1ccc(C(=O)N2CCC[C@H]2c2cccc(F)c2)cc1S(C)(=O)=O 55865143 YDFFAKHZRLMLBU-KRWDZBQOSA-N 361.438 3.515 0 40 FHAB NC(=O)CCn1c(S[C@H]2CCCc3ccccc32)nnc1-c1ccco1 58218435 KTCQGGNWRSRNJI-INIZCTEOSA-N 368.462 3.583 0 40 FHAB COc1ccc2cc(C(=O)Oc3ccc(N4CCCC4=O)cc3)[nH]c2c1 58406857 XQSQWUCJAVWQGT-UHFFFAOYSA-N 350.374 3.523 0 40 FHAB CCOc1cc2c(cc1NC(=O)c1c(Cl)nc3ccccn13)O[C@H](C)C2 65523678 CIXJSGOSNQXXRZ-LLVKDONJSA-N 371.824 3.962 0 40 FHAB S=C(NCc1nc(-c2cccs2)no1)Nc1cccc(Cl)c1 65705230 ZYZLNQZMOOAOHM-UHFFFAOYSA-N 350.856 3.938 0 40 FHAB CCOC(=O)c1sc(NC(=O)CC[C@H]2CCCO2)nc1-c1ccccc1 71880659 YKJMKEXEGICUJJ-CQSZACIVSA-N 374.462 3.885 0 40 FHAB COc1cc(C)c([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72218055 BZWLIYZKVYIYHE-SFHVURJKSA-N 360.479 3.623 0 40 FHAB Cc1noc(C)c1CN1CCC[C@@](C)(c2nc(-c3ccccc3)no2)C1 75876549 OPWBNEGYMKTRBO-HXUWFJFHSA-N 352.438 3.895 0 40 FHAB CCc1c(Cl)nc(C)nc1N1CCC[C@@H](C(=O)Nc2ccccc2)C1 76061489 JEGYCEXFAOYSDN-CQSZACIVSA-N 358.873 3.856 0 40 FHAB Cc1csc(C2(NC(=O)c3ccc4c(c3)nc(C)n4C)CCCC2)n1 78673732 UKFYQHQSFYQJSP-UHFFFAOYSA-N 354.479 3.846 0 40 FHAB O=C(CCn1ccc2ccccc21)Nc1ccc(N2CCC(O)CC2)cc1 84598695 VPHQBQUEYCCMSZ-UHFFFAOYSA-N 363.461 3.631 0 40 FHAB COc1ccc(C(=O)CNC(=O)CCCc2cn(C)c3ccccc23)cc1 85877355 HTNLHIHPSMBOOB-UHFFFAOYSA-N 364.445 3.509 0 40 FHAB biogenic c1ccc(CCC[C@@H]2CCCCN2c2nccc(N3CCOCC3)n2)cc1 89830491 JYUGZMOHQKVCGC-FQEVSTJZSA-N 366.509 3.695 0 40 FHAB O=C(CCCc1cc(Cl)sc1Cl)NCCCCn1ccnn1 96007927 CYVIVIVVDIBGDX-UHFFFAOYSA-N 361.298 3.566 0 40 FHAB O=C(Cc1csc(-c2cccs2)n1)N1CCCCC[C@@H]1c1ncon1 96012143 GKUPXGFFBSSCCH-CYBMUJFWSA-N 374.491 3.941 0 40 FHAB O=C(Nc1cc(Cl)ccc1Cl)N[C@@H]1CN(c2ccc(F)cc2)C1=O 96012627 WRQMNOGNCHGETQ-CQSZACIVSA-N 368.195 3.669 0 40 FHAB CC(C)n1cnc(-c2cc(C(=O)NCc3cccnc3)c3ccccn23)c1 96154894 XDBCNDFXZCZAHL-UHFFFAOYSA-N 359.433 3.709 0 40 FHAB O=C(CC1=CCCCC1)N1Cc2cncn2C[C@H](COCC2CCC2)C1 96207751 NJCPVINBRKQAHL-LJQANCHMSA-N 357.498 3.549 0 40 FHAB O=C(CCc1ncc(-c2ccccc2)o1)NC[C@H]1CCCN2CCCC[C@H]12 96343728 ILVGJMCPDZFZOX-RTBURBONSA-N 367.493 3.655 0 40 FHAB biogenic CCOc1ccccc1C(=O)Nc1cc2c3c(c1)[C@@H](C)C(=O)N3CCC2 101078478 HEJGOZMZQTVFMC-CYBMUJFWSA-N 350.418 3.734 0 40 FHAB COc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@H]3CC(C)C)cc1 101459303 JOXBMXRDAQCFLH-GOSISDBHSA-N 362.433 3.951 0 40 FHAB O=C(Nc1cccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c1)[C@@H]1CCCO1 109013275 ITAMIXQWAPNZQD-IPELMVKDSA-N 356.466 3.599 0 40 FHAB CC[C@@H](Oc1ccccc1C)C(=O)NCCCc1ccc(OC)c(OC)c1 219313131 KUHHJYYBEXKSHH-GOSISDBHSA-N 371.477 3.919 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)NCCSCc1ccccc1F 219496031 OGJIGQNBGGLCTL-CQSZACIVSA-N 363.454 3.651 0 40 FHAB CCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 222748575 NRWDHSQWXXYRFY-HNNXBMFYSA-N 358.869 3.784 0 40 FHAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(CCOC)c1C 222871021 HJOVKRHGXMSZFH-RBUKOAKNSA-N 372.538 3.529 0 40 FHAB Cc1ccc(C)c(OCCNC(=O)CN2C(=O)c3cccc4cccc2c34)c1 223996938 ZUUGIXHXWMXGSK-UHFFFAOYSA-N 374.440 3.612 0 40 FHAB C[C@H](CNS(=O)(=O)Cc1ccc(Br)cc1)c1ccccc1 224185358 OJJXKCDFYTZAJE-CYBMUJFWSA-N 368.296 3.672 0 40 FHAB C[C@@H]1Cc2ccccc2N1CCCNC(=O)c1ccc(Cn2ccnc2)cc1 225586468 XRSYTDHFDSNGFU-GOSISDBHSA-N 374.488 3.503 0 40 FHAB CCOc1ncc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1C 225874416 CBDYZPGHBBZBBD-UHFFFAOYSA-N 358.413 3.615 0 40 FHAB CCN1CCN(c2ccc(NC(=O)c3cc(C)ccc3O)cc2Cl)CC1 257204977 AXCCMZZULJWJMA-UHFFFAOYSA-N 373.884 3.748 0 40 FHAB Cc1cnc(C2(C)CCN(C(=O)c3cn4c(C)cccc4n3)CC2)s1 257334904 YHVDYGRTRRQGHC-UHFFFAOYSA-N 354.479 3.602 0 40 FHAB CC(=O)N[C@@H]1C[C@H](c2ccccc2OCCCN(C)C)O[C@@H]2CCCC[C@@H]12 257339608 ZCLVHJZXQKEEDF-RGMHLJPOSA-N 374.525 3.542 0 40 FHAB O=C(NCc1nccnc1-c1ccco1)c1cccc(OC(F)(F)F)c1 390831140 PWUSJKFKWCVVOP-UHFFFAOYSA-N 363.295 3.565 0 40 FHAB C[C@@H]1CCC[C@H]2C1=NN(C(=O)c1ccccc1Cl)[C@]2(O)C(F)(F)F 409174856 WGRJPBDCBYVECI-BPYAMOTFSA-N 360.763 3.839 0 40 FHAB Cn1cc(-c2cncc(CNC(=O)NCc3cccc4ccccc34)c2)cn1 575414835 XFJRYCAXKDPFHF-UHFFFAOYSA-N 371.444 3.635 0 40 FHAB O=C(NCCn1cc(-c2ccoc2)cn1)c1csc(-c2ccccc2)n1 575615399 OOZYNMZRVFVILH-UHFFFAOYSA-N 364.430 3.697 0 40 FHAB CCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)CC(C)C)C2 585106892 KNEPFVSPHUILMP-OAQYLSRUSA-N 352.482 3.576 0 40 FHAB CC(C)CN(Cc1ccc(F)c(Cl)c1)C(=O)CC[C@]1(C)CCC(=O)N1 628529285 NZDAYOLENBJIOS-IBGZPJMESA-N 368.880 3.913 0 40 FHAB COc1ccc(OC2CCN(Cc3cnc(O)c4ccccc34)CC2)cc1 1307419686 TZTXTIYTEDZUSA-UHFFFAOYSA-N 364.445 3.992 0 40 FHAB COc1cc2nc(C)sc2cc1NC(=O)Cc1cn2cc(C)sc2n1 1529535656 ZABLXXMQDGNIBL-UHFFFAOYSA-N 372.475 3.812 0 40 FHAB O=C(c1ccc(-c2ccccc2)s1)N1CCOC[C@@H]1C[C@@H]1CCCO1 1611547600 NSTPXJRSERFHTK-IRXDYDNUSA-N 357.475 3.825 0 40 FHAB Cc1ccc(CN2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)cc1 1615123782 VHSZTFUPICKVKO-QFIPXVFZSA-N 368.452 3.532 0 40 FHAB O=C(Cc1ccc(F)cc1F)N1CC(n2c(C3CC3)nc3ccccc32)C1 1775971017 LSXPWBFYHOYGSF-UHFFFAOYSA-N 367.399 3.818 0 40 FHAB COc1ccc2c(c1)CN(Cc1cccc(C)n1)CCOCCCCO2 2037988654 CGDTUCJAJVWUGY-UHFFFAOYSA-N 356.466 3.590 0 40 FHAB O=C([C@H]1CCCN(c2ccnc3ccccc23)C1)N1CCC(F)(F)CC1 2298212742 WEEGTYHYLBSEKY-HNNXBMFYSA-N 359.420 3.709 0 40 FHAB COc1ccccc1OCCNC(=O)N[C@@H]1CCSc2ccccc21 45112990 ZVXCHLAMHWHKIR-OAHLLOKOSA-N 358.463 3.610 0 40 FHAB Cc1cc(C)cc(-n2cc(C(=O)NCc3ccc(F)c(Cl)c3)nn2)c1 67262152 VCZUXPRHFOZPAP-UHFFFAOYSA-N 358.804 3.607 0 40 FHAB C=Cc1ccc(Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)cc1 67257986 MHIJSNLSMIDFCI-UHFFFAOYSA-N 360.438 3.905 0 40 FHAB CCOC(=O)c1cnc(-n2cc(C)cn2)nc1Nc1cccc(Cl)c1 2389287 FDZKXTOQQWSVMX-UHFFFAOYSA-N 357.801 3.544 0 40 FHAB CC(C)NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 865736 FOFUNFQXOZNCSI-JOYOIKCWSA-N 358.389 3.743 0 40 FHAB CC[C@H](C(=O)N1CCC(NC(=O)c2ccc(C)s2)CC1)c1ccccc1 50476006 VQENXTQJTJPXKL-SFHVURJKSA-N 370.518 3.971 0 40 FHAB CCc1ccc(NC(=O)CSCCCn2c(=O)[nH]c3ccccc32)cc1 2655050 GGHZCRGXEZNYRY-UHFFFAOYSA-N 369.490 3.654 0 40 FHAB COc1ccc(C(=O)[C@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1 4286710 FIBZZCQNYGUTDY-AWEZNQCLSA-N 351.402 3.924 0 40 FHAB CCCCc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 7708322 CZTYAOUXSOQARP-UHFFFAOYSA-N 372.490 3.957 0 40 FHAB CC[C@@H](Oc1ccccc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 7759845 RTKUULRAUGPNKX-MRXNPFEDSA-N 371.824 3.864 0 40 FHAB CC(=O)NC[C@@H]1C[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 104214563 OONPIGWLFRYZLN-HQLVHBAOSA-N 371.906 3.974 0 40 FHAB COc1ccccc1[C@@H]1CC(=O)c2c(C)nn(-c3nc4ccccc4[nH]3)c2C1 10157251 XVVRTOJBSPIBOO-AWEZNQCLSA-N 372.428 3.978 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 8162009 XKEKSPZFAMPMCW-CQSZACIVSA-N 360.841 3.583 0 40 FHAB COc1ccccc1CC(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 45678122 KAPJVYNENWBKQZ-AWEZNQCLSA-N 359.495 3.565 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](CC)Oc2ccc(OC)cc2)c1 10446033 ROZIGOJGANPICK-IBGZPJMESA-N 371.433 3.976 0 40 FHAB COc1ccc(NC(=O)CSc2nnc(Cc3ccc(C)cc3)o2)cc1 9199038 NAXDSXQUCKTSSQ-UHFFFAOYSA-N 369.446 3.708 0 40 FHAB NC(=O)[C@@H](Sc1nnc(Nc2ccccc2)s1)c1ccc(F)cc1 11747233 FWVQEXMNXQCEHI-ZDUSSCGKSA-N 360.439 3.740 0 40 FHAB O=c1c2cnn(-c3ccccc3)c2nc(S)n1-c1ccc(Cl)cc1 102242924 MOWAKIVRGDBLBO-UHFFFAOYSA-N 354.822 3.514 0 40 FHAB C[C@@H]1CCCCN1C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 2624180 UBVXOGWWQQJNEG-CQSZACIVSA-N 356.495 3.638 0 40 FHAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1Cc1ccc(F)cc1Cl 2619593 ZHDYSBKCLBYOLZ-IBGZPJMESA-N 358.800 3.763 0 40 FHAB COc1ccc(OC)c(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c1 22540262 TXNDBCPACNKMDR-HNNXBMFYSA-N 363.479 3.669 0 40 FHAB Cc1sc(NC(=O)[C@@H]2CCCO2)nc1-c1ccc(Br)cc1 28284561 VBJMSKRUCLUZTG-LBPRGKRZSA-N 367.268 3.999 0 40 FHAB CC(C)COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1 663620 LSRVIWRPNXYDPE-YBFXNURJSA-N 368.408 3.953 0 40 FHAB CN(C)C(=O)Oc1cccc(-c2cn3cc(C(F)(F)F)ccc3[n+]2C)c1 633461 GJXKNVXEVPLTOJ-UHFFFAOYSA-N 364.347 3.510 0 40 FHAB Cc1nnc(SCC(=O)NC2CCCCCCC2)n1Cc1ccccc1 28609104 IDYCFPSRCQOJMF-UHFFFAOYSA-N 372.538 3.956 0 40 FHAB O=C(Cc1cnc(-c2ccccc2F)s1)Nc1ccc2c(c1)OCO2 12323019 ORCQXWMWYVEMTD-UHFFFAOYSA-N 356.378 3.859 0 40 FHAB CC1(C)[C@@]2(C(=O)Nc3cccnc3)CC[C@@]1(C)c1nc3ccccc3nc12 100940009 VAFOQKVOZZYXTC-VXKWHMMOSA-N 358.445 3.993 0 40 FHAB C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2csc(-c3ccco3)n2)C1 106135211 QKBIGEZFKKKZGH-GDBMZVCRSA-N 367.474 3.968 0 40 FHAB O=C(COC(=O)[C@@H]1C[C@@H]1c1ccco1)Nc1ccc(C(F)(F)F)cc1 64584580 CMVUGLOEEMXUQE-QWHCGFSZSA-N 353.296 3.584 0 40 FHAB CC(=O)c1sc(NS(=O)(=O)c2cc(Cl)ccc2Cl)nc1C 27756919 LAMXKQOXNOKZBE-UHFFFAOYSA-N 365.263 3.762 0 40 FHAB COc1ccc(CNC(=O)N(C)Cc2ccccc2N2CCCC2)cc1 25085312 PNICPUWGGBBGOU-UHFFFAOYSA-N 353.466 3.637 0 40 FHAB COCCN1C(=O)c2ccccc2N[C@@H]1C1=Cc2cc(Cl)ccc2OC1 25311073 XFBWQBSODIFKRO-IBGZPJMESA-N 370.836 3.656 0 40 FHAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)[C@@H]3C[C@H]3C)ccc21 3235113 OOCHUSKUGZRVDS-CZUORRHYSA-N 350.418 3.952 0 40 FHAB COc1cccc(CNC(=O)c2csc(COc3ccc(F)cc3)n2)c1 24840702 YCRRPZTZBNKDMZ-UHFFFAOYSA-N 372.421 3.800 0 40 FHAB CCc1cc(=O)n(CC(=O)Nc2ccccc2C)c(-c2cccc(F)c2)n1 57508167 DMNROVPKBJAEIS-UHFFFAOYSA-N 365.408 3.559 0 40 FHAB Cc1cc(C)n2c(SCc3ncc(-c4ccc(F)cc4)o3)nnc2n1 12622701 QZZFUKOUIZVZIG-UHFFFAOYSA-N 355.398 3.828 0 40 FHAB CCOc1ncccc1C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 27379937 FQMGYKLOEAKMRY-AWEZNQCLSA-N 351.406 3.641 0 40 FHAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1cccc(Cl)c1F 22846046 PLIMGBFEGFVSKD-UHFFFAOYSA-N 373.815 3.834 0 40 FHAB O=C(CC[S@@](=O)Cc1c(F)cccc1Cl)Nc1ccc(F)cc1 58155628 UUOWSDVGPALLDP-QHCPKHFHSA-N 357.809 3.896 0 40 FHAB CCc1ccc(OCC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 27582272 KGNLCMJXKKHAQF-GOSISDBHSA-N 358.507 3.643 0 40 FHAB C[C@@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1cccs1 12774007 OFTIXRSNLTXYFL-ZNFPLGDCSA-N 368.502 3.877 0 40 FHAB Cn1ccnc1CSc1nnc(Cc2ccccc2)n1-c1ccccc1 48355207 BWJHBMRZAPUYGE-UHFFFAOYSA-N 361.474 3.884 0 40 FHAB Cn1nc(C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)c2ccccc2c1=O 48308641 BPPJSBJPMQKHIE-HXUWFJFHSA-N 373.456 3.616 0 40 FHAB COc1cccc([C@H](CNC(=O)Nc2ccc(C)cc2)N2CCCC2)c1 12978613 QQONMSJQNJOHTJ-FQEVSTJZSA-N 353.466 3.962 0 40 FHAB O=C(O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCC(Cc2ccccc2)CC1 13320370 LVTNBUDAGKFJFO-GUMHCPJTSA-N 355.478 3.605 0 40 FHAB CC[C@@]1(C)C[C@@](CCNC(=O)CCC(=O)O)(c2ccc(C)cc2)CCO1 4028938 JBKSUNPCAFGEPO-SFTDATJTSA-N 361.482 3.583 0 40 FHAB biogenic CCOc1cc(C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCC 4141727 VXINQRUTNHLVEF-UHFFFAOYSA-N 373.449 3.821 0 40 FHAB biogenic COc1ccc(-c2nc(SC)c(S(=O)(=O)c3ccc(C)cc3)[nH]2)cc1 4135811 FZRUYABUHNISGP-UHFFFAOYSA-N 374.487 3.948 0 40 FHAB C[C@@H]1CCN(C(=O)COC(=O)c2cccc(F)c2)c2ccccc2S1 5631800 GWBPYDPFYRJHFX-CYBMUJFWSA-N 359.422 3.900 0 40 FHAB COc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C(C)C)c1 8762733 ILZWMBZOZWCXEG-UHFFFAOYSA-N 364.445 3.896 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2c(C)cccc2C)c1 8735326 DSFBICKVMLBRIV-UHFFFAOYSA-N 374.506 3.895 0 40 FHAB Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)o1 8846012 MLTVQNRNKLSLIA-LJQANCHMSA-N 372.380 3.835 0 40 FHAB COc1ccc(NC(=S)NCCc2c[nH]c3ccccc23)c(OC)c1 8829792 YWCLFXFOTSJCCW-UHFFFAOYSA-N 355.463 3.714 0 40 FHAB CCOC(=O)c1cnc(Nc2nc(C)c3cc(C)cc(C)c3n2)nc1C 9016057 LFSBPIWOQFDFGT-UHFFFAOYSA-N 351.410 3.574 0 40 FHAB CCOc1ccc(CC(=O)OCC(=O)Nc2ccc(C(C)C)cc2)cc1 9033360 NAGAOZISQACRRG-UHFFFAOYSA-N 355.434 3.933 0 40 FHAB OC1=NC(c2ccc(Br)cc2)=N/C1=C\c1ccc2c(c1)OCO2 9012991 LZMQRKHGCVEZIC-QPEQYQDCSA-N 371.190 3.936 0 40 FHAB O=c1[nH]c(SCc2ccc(F)cc2)nc2c(-c3ccccc3)cnn12 9105698 AWZQHGPKHUFBTE-UHFFFAOYSA-N 352.394 3.516 0 40 FHAB O=C1CCCN1CC[C@@H]1CN(Cc2ccncc2Cl)c2ccccc21 83404556 IOBLFIOUXHQYJH-OAHLLOKOSA-N 355.869 3.851 0 40 FHAB CN(C)C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 83847973 LHXPXXVXZQEZPX-IMJJTQAJSA-N 354.416 3.752 0 40 FHAB COc1ccc(-c2csc3nc(-c4cccnc4)[nH]c(=O)c23)cc1OC 9669157 PONRKLQRJNHGTQ-UHFFFAOYSA-N 365.414 3.731 0 40 FHAB CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCC3(CCCCCC3)C2)c1 75106453 ORSOBAVAMZJJEC-UHFFFAOYSA-N 364.511 3.688 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)cc1Cl 89643359 SSIWIWPXHBTIBX-HNNXBMFYSA-N 353.875 3.514 0 40 FHAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1O)c1ccc(Cl)s1 96997360 BMOPKNQKYGNBTO-UHFFFAOYSA-N 357.762 3.927 0 40 FHAB CCC(CC)N(C)c1nc(CN2CCOCC2)nc2sc3c(c12)CCC3 72307682 RGUQWQOFHGCMKA-UHFFFAOYSA-N 374.554 3.637 0 40 FHAB CCOc1ccc2c(c1)c(=O)c(C(=O)NC1CCCCCCC1)cn2C 22237400 RGWDTUQKDNMHFB-UHFFFAOYSA-N 356.466 3.780 0 40 FHAB C[C@@H]1C[C@@H](Nc2ccc(-c3ncn(C)n3)cc2)CCN1Cc1ccccc1 97371267 TXSSJMGUOVZIRN-UTKZUKDTSA-N 361.493 3.947 0 40 FHAB COc1cc(CN[C@@H]2CCC[C@@H](C)[C@H]2C)ccc1OCC(=O)N1CCCC1 72659558 XLTHLDILRPMXCA-ZHALLVOQSA-N 374.525 3.611 0 40 FHAB O=C(CCc1cccc(F)c1F)N[C@H](CO)c1ccc(Cl)c(F)c1 95464775 VYEQZDABDMUAFA-OAHLLOKOSA-N 357.759 3.540 0 40 FHAB CC[C@H](C)N(CC(=O)N[C@H](C)c1cc(OC)ccc1OC)[C@@H](C)CC 95996021 KMCKFRVZEATJEA-HRCADAONSA-N 350.503 3.780 0 40 FHAB O=C(Nc1ccncc1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 79107171 HCHPUABDWQWYPG-UHFFFAOYSA-N 358.873 3.865 0 40 FHAB CCCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1cccc(C)c1)C3 20796124 YKEHKTPHMOCRNA-CQSZACIVSA-N 352.463 3.848 0 40 FHAB Cc1ccc(CN(C)C(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)c(C)c1 23040719 JPZONQXABSGBOW-GOSISDBHSA-N 370.518 3.876 0 40 FHAB CCCSC1=NC(C)=C(C(N)=O)[C@@H](c2cccc(Cl)c2Cl)N1 408985981 BOQDGQJRYXOZEK-CYBMUJFWSA-N 358.294 3.896 0 40 FHAB CCN1C(=O)/C(=C/c2ccccc2OCc2cccc(C)c2)NC1=S 409005100 DJEFCCLOJYFKET-ATVHPVEESA-N 352.459 3.652 0 40 FHAB C[C@@H](Sc1cc(C(N)=O)c2ccccc2n1)c1nc(C(C)(C)C)no1 32754590 XGEBBQPEOHHGQL-SNVBAGLBSA-N 356.451 3.868 0 40 FHAB Cc1ccc(OCC(=O)Nc2cccc3ccccc23)c(-n2cnnc2)c1 32646690 HGCDOAVSCJDMRJ-UHFFFAOYSA-N 358.401 3.746 0 40 FHAB O=S(=O)(Cc1cccc(F)c1)c1nccn1-c1cccc(Cl)c1 510145958 VDNZYWFUYIJREN-UHFFFAOYSA-N 350.802 3.639 0 40 FHAB Cn1nccc1CN1CCC[C@H](c2cncc(Oc3ccccc3F)n2)C1 72362826 CAFAGNOSRRAUEE-HNNXBMFYSA-N 367.428 3.521 0 40 FHAB CNC(=O)c1cccc(CN2CCc3cc(Br)cc(C)c3C2)c1 538277953 WEMYXQPFQFFZPJ-UHFFFAOYSA-N 373.294 3.675 0 40 FHAB CCOc1ccccc1NC(=O)CSCc1cc(=O)c2ccccc2[nH]1 33063952 DMZWUCVHXMTGNX-UHFFFAOYSA-N 368.458 3.799 0 40 FHAB O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1cc2ccccc2oc1=O 38510723 NDBJQVFAUVJGCI-UHFFFAOYSA-N 371.396 3.720 0 40 FHAB COc1ccc(-c2cc3c(=O)n(Cc4ccc(C)cc4C)ccn3n2)cc1 64977398 IJWHWSOJYPCIFU-UHFFFAOYSA-N 359.429 3.837 0 40 FHAB O=C(N[C@@H]1CCCc2c1cnn2-c1ccncc1)[C@H]1C[C@@H]1c1ccccc1 71195726 FCTJTNUMHNLONK-WSTZPKSXSA-N 358.445 3.565 0 40 FHAB Cc1ccc(OCC(=O)Nc2c(C)cc3nc(NN)sc3c2C)cc1C 45890125 UBRXPFIMHLYTKA-UHFFFAOYSA-N 370.478 3.833 0 40 FHAB O=C(NCc1ccc2ccccc2c1)c1ccc(CN2CCCC2=O)cc1 45400823 SXUFPDXWMUJYAY-UHFFFAOYSA-N 358.441 3.892 0 40 FHAB COc1cc(NC(=O)NCc2ccccc2OC)c(OC)cc1Cl 40091421 FQUPORSWDMWXTN-UHFFFAOYSA-N 350.802 3.688 0 40 FHAB CCOC(=O)c1cc(NC(=O)[C@@](C)(CC)OCC)ccc1OC(C)C 225816754 RDNWJWPRINZHTE-LJQANCHMSA-N 351.443 3.794 0 40 FHAB CCOc1ccc(-c2noc(CNC(=O)CCc3ccccc3F)n2)cc1 223595392 BZBYQEYILLAASN-UHFFFAOYSA-N 369.396 3.523 0 40 FHAB COc1cc(C)c(S(=O)(=O)NCc2ccc3ccccc3c2)cc1C 222820870 AHWRSYZBDUUKEX-UHFFFAOYSA-N 355.459 3.944 0 40 FHAB O=C(c1snnc1-c1ccc(Br)cc1)N1CCCCCC1 225785194 AIGJOOMPSKNLDC-UHFFFAOYSA-N 366.284 3.984 0 40 FHAB O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 40073372 SDVWYRQMKZZBMV-LBPRGKRZSA-N 370.261 3.693 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 223142423 OJFFKTSFKPEYKG-LJQANCHMSA-N 372.896 3.744 0 40 FHAB Cc1ccc(C(=O)N2CC[C@@]3(C[C@H]3C(=O)NCc3cccs3)C2)cc1C 96227649 FGKQXIJHSWJHRA-GHTZIAJQSA-N 368.502 3.534 0 40 FHAB CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](c2ccc(F)cc2)C1 612201714 JYPOETWVKAPMSA-BHIYHBOVSA-N 371.456 3.526 0 40 FHAB O=C(NCCc1ccccc1)N1CCC(Cn2ccc3cccnc32)CC1 85556792 KWEWPEHMKAJVPH-UHFFFAOYSA-N 362.477 3.701 0 40 FHAB Cc1ccc(OCCCC(=O)N=c2nc(Cc3ccccc3)[nH]s2)cc1 593132946 CFHJSRZJBZXPGM-UHFFFAOYSA-N 367.474 3.657 0 40 FHAB O=C(NC[C@H]1CCCC12CC2)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 623976606 PMVRPDAIZUIGMQ-NZSAHSFTSA-N 350.466 3.608 0 40 FHAB O[C@@H](COc1ccc2cc[nH]c2c1)CN1CCC[C@H](Cc2ccccc2)C1 1657201918 URUUEWNBVJISST-TZIWHRDSSA-N 364.489 3.862 0 40 FHAB O[C@@]1(Cn2cc(Br)c(-c3ccc(Cl)cc3)n2)CCCOC1 656699207 ZFIPLMHMKLOYLT-OAHLLOKOSA-N 371.662 3.508 0 40 FHAB CN1CCN(S(=O)(=O)c2cc3ccccc3s2)[C@@H](c2ccccc2)C1 1185426556 QXHPXMTXLIFZOY-QGZVFWFLSA-N 372.515 3.579 0 40 FHAB CC[C@H]1CCc2nc(O)c(C(=O)Nc3cccc(-n4ccnc4)c3)cc2C1 1291586544 RZIBEVJHHNANOA-AWEZNQCLSA-N 362.433 3.740 0 40 FHAB Cn1c([C@@H]2CCCCN2C(=O)CCCn2cccc2)nc2ccccc21 604418767 APGCKSMIFSYXGW-IBGZPJMESA-N 350.466 3.909 0 40 FHAB COc1cccc(C[C@]2(C(=O)N[C@H](C)[C@@H]3CCCOC3)C[C@H]3CC[C@H]2C3)c1 504891626 KKVCGVWQRKPKDE-WCDSQHRASA-N 371.521 3.975 0 40 FHAB CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]21)[C@@H]1CCCN(C(=O)CCC2CCC2)C1 1615610939 HFVWPRLPFZUNMR-ZGXWSNOMSA-N 360.542 3.842 0 40 FHAB O=C(COC(=O)c1cc2c(s1)-c1ccccc1CC2)NCc1ccco1 5303769 JYPNJIIKWRAJJC-UHFFFAOYSA-N 367.426 3.580 0 40 FHAB Cc1c(-c2ccccc2)n[nH]c1C(=O)NCCCN1Cc2ccccc2C1 12147204 YGZQYJWFTILSMY-UHFFFAOYSA-N 360.461 3.521 0 40 FHAB Cc1ccc(-c2nc(CNC(=O)c3c(C)oc4ccc(O)cc34)no2)cc1 12195227 DSGKANBGBHPRNO-UHFFFAOYSA-N 363.373 3.735 0 40 FHAB CCOc1cc(CN2CCc3sccc3[C@@H]2CC)ccc1OCC(N)=O 12364218 MCJVLNQHAYPOOD-INIZCTEOSA-N 374.506 3.520 0 40 FHAB Cc1noc(C)c1CCC(=O)Nc1ccnn1Cc1ccc(Cl)cc1 15641213 JNVHASSWRFWMAH-UHFFFAOYSA-N 358.829 3.761 0 40 FHAB O=c1ccc(-c2ccccc2F)nn1CN1CCCc2cc(F)ccc21 164551188 VDAVBJUUOHVLEQ-UHFFFAOYSA-N 353.372 3.599 0 40 FHAB CCCc1nnc(S/C(=C\c2cc(Cl)cc(Cl)c2O)C(=O)O)[nH]1 7342208 OONHKGKHULDYFO-YHYXMXQVSA-N 374.249 3.987 0 40 FHAB COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc3c(c1)CCC(=O)N3)[C@@H]2C 679830368 IITGMGJNALXPEV-ZIAGYGMSSA-N 364.445 3.728 0 40 FHAB C[C@@H](NC(=O)COc1ccccc1F)c1ccc(Br)cc1 5559401 RWLHNRVXWZEUBP-LLVKDONJSA-N 352.203 3.844 0 40 FHAB COc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)ccc1OC(F)F 5557195 ZIEQFMDCJDDWMW-UHFFFAOYSA-N 351.393 3.995 0 40 FHAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(C)Cc1ccc(Cl)s1 8226203 OZTNQWCUQSDAPW-SNVBAGLBSA-N 352.843 3.589 0 40 FHAB CC(C)[C@@H](NC(=O)COc1ccc2ccc(=O)oc2c1)c1ccc(F)cc1 10608639 NSMXCNYSOSRPKK-OAQYLSRUSA-N 369.392 3.824 0 40 FHAB O=S(=O)(Nc1cc(F)ccc1F)c1ccc(F)cc1Br 32926333 DURWAFDKAXAYPZ-UHFFFAOYSA-N 366.158 3.667 0 40 FHAB Cc1ccccc1NC(=O)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 206845693 QQNIVALKHZGRNL-INIZCTEOSA-N 364.405 3.676 0 40 FHAB COc1ccc(C2(CNC(=O)c3cc4ccccc4[nH]3)CCOCC2)cc1 49513359 UFYRMIIBYZAFRX-UHFFFAOYSA-N 364.445 3.655 0 40 FHAB COc1cccc2cc(C(=O)NCC[C@H](CCO)c3ccsc3)oc12 575608202 QTPRGQFURXDVMA-CYBMUJFWSA-N 359.447 3.789 0 40 FHAB C[C@H](NC(=O)NC[C@@H]1COc2ccccc2O1)c1ccc(Cl)s1 40086445 ZCLUDGQEOIFKRH-WDEREUQCSA-N 352.843 3.602 0 40 FHAB CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(Cl)o2)cc1 30226148 IMXJVPNTIUALEZ-UHFFFAOYSA-N 372.808 3.728 0 40 FHAB CC(C)Oc1ccccc1[C@H]1CC(O)=Nc2nc(N3CCOCC3)sc21 36357700 ZAGXHWCKRNMVQP-CQSZACIVSA-N 373.478 3.891 0 40 FHAB Cc1oc(-c2cccs2)nc1CN(C)CC(=O)Nc1ccc(F)cc1 11051465 LSSHQJCJWVYSAU-UHFFFAOYSA-N 359.426 3.921 0 40 FHAB CCn1c(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)nc2ccccc21 1370938 LYZKPESYHDUHQG-UHFFFAOYSA-N 367.428 3.549 0 40 FHAB O=C(N[C@H]1CCOc2ccccc21)c1ccc(OCC(F)(F)F)cc1 31886885 BXOZQQUDYXWIPC-HNNXBMFYSA-N 351.324 3.881 0 40 FHAB COC(=O)CCSc1nc2ccccc2c(=O)n1-c1cc(C)cc(C)c1 7192127 RRHZZMGJQLZKMD-UHFFFAOYSA-N 368.458 3.658 0 40 FHAB CCCCCCNCc1ccc(OCC(=O)NC(C)(C)C)c(OC)c1 7261004 SZYXPKBWPWXCGL-UHFFFAOYSA-N 350.503 3.659 0 40 FHAB COc1ccccc1N1C[C@H](C(=O)Oc2ccc3ccccc3c2)CC1=O 7929001 OZHBXEUCFOMGNL-QGZVFWFLSA-N 361.397 3.807 0 40 FHAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1ccc(F)cc1 8324208 LTNNHKWTLCYJAX-GOSISDBHSA-N 354.381 3.934 0 40 FHAB COc1cc(CNC(=O)COc2ccc(C(C)C)cc2)cc(OC)c1OC 8361722 AAAVKCQEDRQKAN-UHFFFAOYSA-N 373.449 3.531 0 40 FHAB O=C(NCCc1c[nH]c2cc(F)ccc12)N1CCC[C@@H]1c1ccccn1 51754675 VVNOURHQZCUGAC-LJQANCHMSA-N 352.413 3.791 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3cccc(C(C)=O)c3)n[nH]2)c(OC)c1 57412907 CZOXQRLWXCVWTO-UHFFFAOYSA-N 365.389 3.549 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)Cc2ccc(OC)cc2OC)cc1 21623414 PRPHCAMOCMQDFJ-LJQANCHMSA-N 355.434 3.619 0 40 FHAB O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1cccc(Br)c1 29263725 IJERUGUNZHOHOR-UHFFFAOYSA-N 373.250 3.937 0 40 FHAB CCOCc1cc(C(=O)NCc2ccc(OC(F)F)cc2)ccc1OC 21636663 DRWULEVNLCMJCE-UHFFFAOYSA-N 365.376 3.763 0 40 FHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(NC(N)=O)c1 8347403 FOOIUVKDDOMMSJ-LLVKDONJSA-N 354.435 3.620 0 40 FHAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1 47060373 VUUCPYLWKHMEGZ-LLVKDONJSA-N 369.446 3.806 0 40 FHAB CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 1004018 NGNZFFLJJPMBCG-UHFFFAOYSA-N 366.442 3.764 0 40 FHAB Cn1ccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)n1 42659213 JCAXGTHUXOPOFI-UHFFFAOYSA-N 357.417 3.584 0 40 FHAB O=C(OCCCn1c(=O)[nH]c2ccccc21)c1cc2c(s1)CCCC2 23731853 AWPGLLUVJHDFPJ-UHFFFAOYSA-N 356.447 3.517 0 40 FHAB COC(=O)[C@@H]1C[C@H](Oc2ccc(C(C)(C)c3ccccc3)cc2Cl)CN1 42783143 LLWRGJHNUKVVDF-WMZOPIPTSA-N 373.880 3.948 0 40 FHAB COc1ccc([C@@H]2CCCN2c2nccc(C(F)(F)F)n2)c(OC)c1 24054850 ZEANYHAPZKUMSM-ZDUSSCGKSA-N 353.344 3.854 0 40 FHAB O=C(O)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(F)(F)F)c1 107849302 XPZMVVHBQRBUCU-UHFFFAOYSA-N 354.240 3.564 0 40 FHAB O=C(Nc1ccccc1-n1cncn1)c1csc(-c2ccsc2)n1 25003218 QCQDQFYAYJLALS-UHFFFAOYSA-N 353.432 3.705 0 40 FHAB Cc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc(C)c1O 12555568 LKHZNMQPAYRRRQ-OXQOHEQNSA-N 352.434 3.755 0 40 FHAB CC(C)c1ncc(CN2[C@@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)cn1 100763534 QJUBGUASLAHJGG-RTBURBONSA-N 355.457 3.754 0 40 FHAB O=C(O)C[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1436073 NOVFSLBJPZLTLZ-CQSZACIVSA-N 351.402 3.732 0 40 FHAB O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(Br)cc2)N1 1510862 FPBHUDMWBLCBLN-CVEARBPZSA-N 371.234 3.619 0 40 FHAB biogenic C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cc(F)ccc1F 12517261 ZKAFPNUZLJOEDX-GFCCVEGCSA-N 359.376 3.531 0 40 FHAB O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)N1CCc2ccc(O)cc2C1 57188152 NIYUJECONCICBT-UXHICEINSA-N 370.424 3.519 0 40 FHAB CN(C)[C@@H](CNc1ncnc2c1cnn2-c1ccccc1)c1cccs1 57318518 QZKVDRVRCHLVSG-INIZCTEOSA-N 364.478 3.592 0 40 FHAB Cc1ccc2oc(C(=O)N[C@@H](Cc3ncc[nH]3)c3ccccc3)cc(=O)c2c1 12531154 ZDMHIGZDAPIBJZ-KRWDZBQOSA-N 373.412 3.538 0 40 FHAB CCN(CC)c1cccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c1 3195542 XJISKUFPERYTCU-UHFFFAOYSA-N 359.422 3.778 0 40 FHAB Cc1ccn2cc(C(=O)N(C)Cc3c(C)nn(-c4ccccc4)c3C)nc2c1 57778619 JEQROGOWBYEWTH-UHFFFAOYSA-N 373.460 3.717 0 40 FHAB COc1cc([C@@H]2SCC(O)=Nc3[nH]nc(C)c32)ccc1OC(F)F 44921466 RUTDGKGHBQWGRD-ZDUSSCGKSA-N 355.366 3.752 0 40 FHAB COc1ccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c(OC)c1 12616110 ZJCIYTCETIRFSQ-UHFFFAOYSA-N 363.417 3.631 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1ccccc1OC 3387852 WVMKMRBYVJLQMQ-NSHDSACASA-N 363.797 3.541 0 40 FHAB Cc1ccc(CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1 17076361 RAMOLUNKXDQXPB-UHFFFAOYSA-N 372.534 3.625 0 40 FHAB O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)N1CCc2ccccc2C1 12999464 BYQIYYMCNVPRJX-UHFFFAOYSA-N 373.500 3.932 0 40 FHAB CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)N3CCSCC3)c12 49208768 PJZYAHPQNWBPQO-UHFFFAOYSA-N 359.495 3.878 0 40 FHAB C[C@H](NC(=O)N[C@H](C)CCc1ccccc1)c1ccc2c(c1)OCCO2 17116290 XJGWIOIJCNRMOH-CVEARBPZSA-N 354.450 3.839 0 40 FHAB COc1ccc(OC)c(NC(=O)COc2cccc3ccc(C)nc23)c1 5198583 CHZQGWHJTVDOPS-UHFFFAOYSA-N 352.390 3.578 0 40 FHAB O=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)Nc1cccnc1Cl 6224730 WURKBMJOSIOGTA-UHFFFAOYSA-N 362.857 3.823 0 40 FHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccnc1)N(c1ccccn1)C3=O 5205745 MPSHEEGCLCCUIJ-LJQANCHMSA-N 369.380 3.641 0 40 FHAB Cc1c(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)oc2c1C(=O)CCC2 65514032 HNMLJVXPNUNVBE-SCLBCKFNSA-N 353.418 3.709 0 40 FHAB C[C@H](NC(=O)c1ccc(CSc2ncn[nH]2)cc1)c1ccc(F)cc1 6409166 FCWZZCMKIHCMNI-LBPRGKRZSA-N 356.426 3.727 0 40 FHAB Cc1ccc(N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1 5521772 YAMJSIBGMHMOFV-UHFFFAOYSA-N 372.534 3.740 0 40 FHAB CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3c(C)cccc3C)n2)cc1 6747767 UXYLEPIIICVLEG-UHFFFAOYSA-N 363.417 3.500 0 40 FHAB Cc1ccccc1NC(=O)[C@H](C)N1c2cccc3cccc(c23)S1(=O)=O 6720887 BSJYWPFTGSQURT-AWEZNQCLSA-N 366.442 3.684 0 40 FHAB COc1ccc([C@H](NS(=O)(=O)c2ccc3c(c2)CCC3)C(C)C)cc1 15332237 OFGHJPNXUSWFQI-HXUWFJFHSA-N 359.491 3.860 0 40 FHAB COc1cc(C(=O)Nc2ccccc2O)ccc1OCc1c(C)noc1C 15480426 XLONSTVDIFCTQV-UHFFFAOYSA-N 368.389 3.837 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1CNCc1ccc2c(c1)OCCO2 15581974 NQCUGKHHBPBETC-UHFFFAOYSA-N 363.461 3.609 0 40 FHAB O=C(Oc1ccc(Cl)cc1N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccco1 18241703 FLTWDMYJNGXVLN-STQMWFEESA-N 373.792 3.832 0 40 FHAB O=C(NCC1CCN(Cc2ccco2)CC1)c1c(F)cccc1Cl 23128016 RVQGWQYTCBSRQS-UHFFFAOYSA-N 350.821 3.714 0 40 FHAB Cc1c(C(=O)N2CCC[C@H](C(F)(F)F)C2)[nH]c2c1C(=O)CC(C)(C)C2 21961198 ZFLVCCFAXMPALR-NSHDSACASA-N 356.388 3.893 0 40 FHAB Cc1ccc2c(CC(=O)NC[C@H](c3ccco3)N3CCCC3)coc2c1 9217445 UZKIGPBXJODDAS-GOSISDBHSA-N 352.434 3.830 0 40 FHAB CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)c3ccco3)c12 9304277 NIOYHLFSCAOBPO-UHFFFAOYSA-N 356.378 3.517 0 40 FHAB CC1CCC2(CC1)NC(=O)N(CC(=O)c1ccc3ccccc3c1)C2=O 9389900 GNCFTYHLQSOVOR-UHFFFAOYSA-N 350.418 3.523 0 40 FHAB COc1ccc(CC(=O)Nc2ccc(Br)cc2F)c(OC)c1 9454599 DJIUXCBBHQRTCG-UHFFFAOYSA-N 368.202 3.787 0 40 FHAB CN(C)c1cc(-c2noc([C@H]3CCCN(Cc4ccccc4)C3)n2)ccn1 83854217 OJECVRRVYLISKB-SFHVURJKSA-N 363.465 3.577 0 40 FHAB C[C@H]1CN(C(=O)c2ccc(CNC(=O)C3CCCCCC3)cc2)C[C@H](C)O1 72077257 SJLDNKLJSHIYQW-IRXDYDNUSA-N 372.509 3.523 0 40 FHAB COc1cccc(C2=NN(C(=O)CN3CCCC3)[C@H](c3cccs3)C2)c1 97105870 BOKFHMZKQCETNJ-SFHVURJKSA-N 369.490 3.530 0 40 FHAB CC(C)(C)c1cnc(C(=O)NCc2nnc(-c3ccc(Cl)cc3)o2)o1 72306027 FGYBMBKRGKPLDD-UHFFFAOYSA-N 360.801 3.606 0 40 FHAB CC(=O)Nc1ccccc1CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 95401361 YTFKVNUNBYXCTI-UHFFFAOYSA-N 361.445 3.935 0 40 FHAB Cc1nc(CCNC2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)cs1 95965011 IBBFZVQWNVVEML-MQVJKMGUSA-N 351.516 3.514 0 40 FHAB CCC(=O)N1N=C(c2cc(OC)c(OC)c(OC)c2)C[C@H]1c1cccs1 95946361 ZWBCGJAZXXOSIL-AWEZNQCLSA-N 374.462 3.862 0 40 FHAB O=C(CCSc1nnc2n1CCCCC2)N[C@H]1CCCc2ccccc21 74391831 ANUMBSZPRGJNIO-KRWDZBQOSA-N 370.522 3.681 0 40 FHAB C[C@@H](NC(=O)c1c(F)ccc(S(C)(=O)=O)c1F)c1ccc(Cl)cc1 79072012 DXBSULYZFMZGET-SECBINFHSA-N 373.808 3.513 0 40 FHAB CCOc1ccccc1N1C[C@@H](C(=O)Oc2ccccc2Cl)CC1=O 69198001 GLVLCKIRPNAPDO-ZDUSSCGKSA-N 359.809 3.697 0 40 FHAB COc1ccc(CN(C)C(=O)c2cc(Br)ccc2O)cc1F 32722401 FDRUKVIRVJJJBI-UHFFFAOYSA-N 368.202 3.575 0 40 FHAB COc1ccc(CCCNC(=O)[C@H](C)Oc2cccc(C)c2)cc1OC 122304814 PIRWSBADCPOMKO-INIZCTEOSA-N 357.450 3.529 0 40 FHAB CCCC[C@H](CC)COc1cc(C(=O)OC)c(OC)cc1C(=O)OC 3848713 PKYKQSDTAQUFDB-ZDUSSCGKSA-N 352.427 3.864 0 40 FHAB biogenic O=C(c1ccc(F)cc1)N1N=C(C2CCCCC2)C[C@]1(O)C(F)(F)F 32100792 FUWYGMVKQDOUAZ-INIZCTEOSA-N 358.335 3.859 0 40 FHAB COc1cccc(OC)c1C(=O)N(Cc1cccnc1)Cc1ccc(C)o1 35313376 HDWGSDJZXIWVPB-UHFFFAOYSA-N 366.417 3.843 0 40 FHAB O=C(c1cnccn1)N1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 72349187 LZABTJUNRVKOLW-INIZCTEOSA-N 362.408 3.698 0 40 FHAB O=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1cnc2ccccc2n1 56906048 QYNVUEFJBJGLOE-UHFFFAOYSA-N 357.329 3.678 0 40 FHAB CCN1CCCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 72216418 XJQLTJSFRVFDRX-GOSISDBHSA-N 374.529 3.686 0 40 FHAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(C)=O)C1 72391196 ANPNIUOKKZZWQW-OAQYLSRUSA-N 370.518 3.722 0 40 FHAB Cc1ccc(-c2nc3ccccc3s2)cc1N1C[C@@H](C(=O)O)CC1=O 45886783 DJYBDIOYCWLIJV-ZDUSSCGKSA-N 352.415 3.709 0 40 FHAB Cn1c(=O)sc2cc(NC(=O)CSc3ccc(Cl)cc3)ccc21 225020875 ANMZQZXXJCUQSV-UHFFFAOYSA-N 364.879 3.984 0 40 FHAB COc1cccc(OCc2cc(C(=O)N3CCCCC3)ccc2OC)c1 224256809 YUWMWBFFMYGJJZ-UHFFFAOYSA-N 355.434 3.909 0 40 FHAB CCCC[C@H](CC)CNS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 224375060 OTDKAUWOSHTVMX-INIZCTEOSA-N 366.527 3.617 0 40 FHAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCOc1ccccc1Cl 224612516 AYTMGNVZIGVYPR-OAHLLOKOSA-N 363.841 3.701 0 40 FHAB Cc1nc(C(C)(C)NC(=O)c2ccc(N3CCCC3=O)cc2)sc1C 135007770 OPMGWESGRDQWIR-UHFFFAOYSA-N 357.479 3.552 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c(C)c1 222718142 SWHKPWNGXWHYDK-JKSUJKDBSA-N 355.434 3.719 0 40 FHAB CC(C)Cn1ccc2c(NC(=O)[C@@H](c3ccccc3)n3cnnn3)cccc21 80328204 CMIQLXSVPNQRFA-HXUWFJFHSA-N 374.448 3.512 0 40 FHAB COc1ccc(OC)c(NC(=O)c2snnc2-c2ccc(F)cc2)c1 225780244 LWPKCWZFBLVEAF-UHFFFAOYSA-N 359.382 3.614 0 40 FHAB O=C(CCCOc1ccccc1)NCc1cccc(CN2CCCC2)c1 46374742 BZKRCDQMSDNIEG-UHFFFAOYSA-N 352.478 3.758 0 40 FHAB COc1ccccc1NC(=O)N(Cc1cc(=O)[nH]c2ccccc12)C(C)C 41077030 TVVYFQIRQHUBSL-UHFFFAOYSA-N 365.433 3.979 0 40 FHAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccco1 223365209 QPRKPGZOEDTRIO-QZTJIDSGSA-N 352.463 3.669 0 40 FHAB COc1ccc(CC(=O)N2CCS/C2=C/c2cccs2)cc1OC 225233112 HVYMOJLJULAROK-LDADJPATSA-N 361.488 3.882 0 40 FHAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccnc2)S1 222587311 HELJNOWUMUFVJA-CCKFTAQKSA-N 361.474 3.857 0 40 FHAB O=C(c1ccc2ccccc2n1)N1CC[C@@]2(CC(=O)N(c3ccccc3)C2)C1 96238380 RXWIGZDWIUXBBU-HSZRJFAPSA-N 371.440 3.504 0 40 FHAB O=C(C[C@H]1CC2(CCN(CC3CC3)CC2)c2ccccc21)NCC1CC1 96052696 VYPIVXFRGXVZEI-IBGZPJMESA-N 352.522 3.834 0 40 FHAB O=C(c1cc[nH]n1)N1CCC2(CC[C@H](c3cccnc3)c3ccccc32)CC1 96079699 PAJBAGQYIVSYML-GOSISDBHSA-N 372.472 3.904 0 40 FHAB COc1ccccc1[C@]1(O)CCC[C@H]2CN(Cc3cccc(O)c3)C[C@H]21 248245926 LZHQUJSFDRRAFA-UCNVEGJOSA-N 353.462 3.521 0 40 FHAB CC1(C)CC2(CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)CO1 257293782 QREASJJYTWIJAJ-UHFFFAOYSA-N 370.415 3.925 0 40 FHAB Cc1ccc([C@H]2CCCN2Cc2cnn(-c3ccccc3C(=O)O)c2)nc1 257225858 FIEBRKKTGRAWRL-HXUWFJFHSA-N 362.433 3.611 0 40 FHAB O=C(NCc1cn2c(n1)CCCC2)NC1CC(c2cccc(Cl)c2)C1 608422570 PZPVDVLNBIMBKG-UHFFFAOYSA-N 358.873 3.618 0 40 FHAB CCS(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCC(C)(C)C[C@@H]2C)c1 1322321940 AYCVPSYTZIMUQJ-XJKSGUPXSA-N 352.500 3.817 0 40 FHAB Cn1cncc1C(=O)N1CCC[C@@]1(C)Cc1ccc(OC(F)(F)F)cc1 585113726 WFAFEYPDPIGLOZ-KRWDZBQOSA-N 367.371 3.556 0 40 FHAB CC[C@H](NCc1cc(=O)n2nc(C)sc2n1)C12CC3CC(CC(C3)C1)C2 51993289 QWNUXDLTHFSLMA-SOZFHFLDSA-N 372.538 3.544 0 40 FHAB Cc1ccc(N2CCC[C@H](C(=O)Nc3cc(Cl)ccc3Cl)C2)nn1 585234472 VBYWDUFJUBZJLB-LBPRGKRZSA-N 365.264 3.947 0 40 FHAB CCc1ccc2[nH]c3nc(SCC(=O)N4CCCC[C@H]4C)nnc3c2c1 5444961 BTUKMOQADNNSTH-GFCCVEGCSA-N 369.494 3.562 0 40 FHAB CCOc1ccccc1NC(=O)c1nn(-c2ccc(Cl)cc2)ccc1=O 11914386 QGDAJVHLZLZROI-UHFFFAOYSA-N 369.808 3.537 0 40 FHAB COc1cc2cc(C3CCN(C(=O)c4cccnc4)CC3)ncc2cc1C 12188073 PRMZZPFTQSDXSW-UHFFFAOYSA-N 361.445 3.967 0 40 FHAB O[C@H](CNCc1ccco1)Cn1c2c(c3cccc(Cl)c31)CCCC2 12421971 SHZKHCIVXHVTMO-CQSZACIVSA-N 358.869 3.917 0 40 FHAB COc1ccc(NCc2cc3cc4c(cc3[nH]c2=O)CCC4)cc1OC 13563460 PWEMHKPAOOIPOO-UHFFFAOYSA-N 350.418 3.646 0 40 FHAB CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3cc(C)ccc3C)ccc21 13583994 XOTVFEDLBWJULE-UHFFFAOYSA-N 372.490 3.658 0 40 FHAB Cc1ccc(CSCCNC(=O)c2ccc(N3CCCC3=O)cc2)cc1 17603709 GELSRBNVTPBFDX-UHFFFAOYSA-N 368.502 3.785 0 40 FHAB CCn1cc(CCC(=O)Nc2cccc(-n3cnnc3)c2)c2ccccc21 19524805 NMJJQHNLVJKBMB-UHFFFAOYSA-N 359.433 3.813 0 40 FHAB COCC(=O)N1CCC[C@@H](c2ccc(Cc3ccc(Cl)cc3)cn2)C1 19688194 PZCBOALGBYQPHC-QGZVFWFLSA-N 358.869 3.678 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccnc1 27576576 GLOVOTDBHZOUAZ-GOSISDBHSA-N 353.466 3.772 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCN([C@@H]2CCSC2)CC1 1565523014 XHRVUIIRYWIGGD-OAHLLOKOSA-N 373.444 3.751 0 40 FHAB Cc1cc(C)c2sc(NC(=O)CCS(=O)(=O)c3ccccc3)nc2c1 4325706 YIEGYXMYDOSEOT-UHFFFAOYSA-N 374.487 3.716 0 40 FHAB O=S(=O)(Cc1cc(F)ccc1F)NCc1ccc(-c2cccs2)o1 575609136 PMSMAKOSLRQKRV-UHFFFAOYSA-N 369.414 3.906 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1nccnc1-c1ccoc1 575621360 VTGACOVTKLJDJG-UHFFFAOYSA-N 371.824 3.864 0 40 FHAB COc1ccc(/C=C2\SC(=O)N(c3ccc(O)cc3)C2=O)c(OC)c1 13786904 GISLDFRTPFYHND-SXGWCWSVSA-N 357.387 3.650 0 40 FHAB CN1CCN(C(=O)c2csc(-c3ccccc3)n2)[C@@H](c2ccccc2)C1 40013017 NHQUYZGUBFFKNX-LJQANCHMSA-N 363.486 3.939 0 40 FHAB CCOC(=O)c1cccc(COC(=O)c2ccc(C)c(NC(=O)CC)c2)c1 993213 HEBFCHPOJSAJSG-UHFFFAOYSA-N 369.417 3.877 0 40 FHAB COc1cccc(-c2nn3c(-c4cccc(C)c4)nnc3s2)c1OC 1018213 NVGMFQBZUAJFPR-UHFFFAOYSA-N 352.419 3.845 0 40 FHAB O=C1C[C@@H](c2cccnc2)c2c(ncn2-c2cccc(C(F)(F)F)c2)N1 78546739 TZARTZVSSFNKNX-AWEZNQCLSA-N 358.323 3.760 0 40 FHAB O=C(CSc1nnc(-c2ccco2)n1C[C@@H]1CCCO1)c1ccccc1 1364289 DEIPUPZNHLLSKH-HNNXBMFYSA-N 369.446 3.692 0 40 FHAB O=C(CCc1nc(-c2ccco2)no1)N1CCC[C@@H]1Cc1ccc(F)cc1 79253451 YZCUJGXIMBAGLB-MRXNPFEDSA-N 369.396 3.635 0 40 FHAB CC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)N(Cc2noc(C3CC3)n2)c2ccccc21 107090500 KKJLRMVPKCBHEB-JJRVBVJISA-N 368.481 3.744 0 40 FHAB CC1(C)[C@]2(C(=O)N3CCC(Cc4ccccc4)CC3)CC[C@@]1(C)C(=O)O2 6394940 NGYSBZSWLSRIEY-FCHUYYIVSA-N 355.478 3.590 0 40 FHAB Cc1cc(=O)n(CC(=O)Nc2ccccc2Cl)c(-c2ccc(F)cc2)n1 57477860 RILDSCGMPILWMA-UHFFFAOYSA-N 371.799 3.650 0 40 FHAB COc1ccccc1N1CCN(C(=S)Nc2cc(C)cc(C)c2)CC1 7522455 LCGDPRWZOPIPPO-UHFFFAOYSA-N 355.507 3.831 0 40 FHAB CSc1ccccc1NC(=O)CN(C)C(=O)Cc1c[nH]c2ccccc12 7990707 LNXSAUFLCZSEQD-UHFFFAOYSA-N 367.474 3.529 0 40 FHAB Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 101615950 KZYZQVDZKFMKMI-HJQYOEGKSA-N 363.811 3.805 0 40 FHAB CCN(CC)CCn1cc(NC(=O)c2cccc(Cl)c2Cl)cn1 58163185 GILITQVIBMDWLV-UHFFFAOYSA-N 355.269 3.784 0 40 FHAB COc1cccc(SCC(=O)Nc2ccc(Br)cn2)c1 27662928 HMFQTIPNXIZUIZ-UHFFFAOYSA-N 353.241 3.584 0 40 FHAB CCOC(=O)c1ccc(-n2c(C)c3c(OC)cccc(=O)c3c2C)cc1 2157438 FBEIFQSHFXTRDI-UHFFFAOYSA-N 351.402 3.793 0 40 FHAB biogenic CC(C)c1nc2sc3c(NCCO)ncnc3c2c2c1COC(C)(C)C2 2297361 RHQDLIWVPJKBOR-UHFFFAOYSA-N 372.494 3.618 0 40 FHAB CCCCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)OCC)cc1 2332864 JBYGAYVMNGREEE-UHFFFAOYSA-N 350.418 3.905 0 40 FHAB Cc1cccc(NC(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 11008634 UKOAKIUOYOZOIY-INIZCTEOSA-N 353.470 3.724 0 40 FHAB O=C(CCc1nc2ccccc2s1)Nc1ccc(N2CCOCC2)cc1 3312861 UYTKEEYJLZNPHH-UHFFFAOYSA-N 367.474 3.704 0 40 FHAB O=C(c1ccc(O)cc1)C1CCN(C(=O)c2cccc3cccnc23)CC1 55315499 FEQJXIGOMXNPAR-UHFFFAOYSA-N 360.413 3.676 0 40 FHAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1cccs1 3355303 SURMNNUWQAFWJK-UHFFFAOYSA-N 357.262 3.695 0 40 FHAB CCN1CCN(c2ccc(NC(=O)c3cccnc3SC)cc2C)CC1 11323949 BJFXZYZWRWDEKX-UHFFFAOYSA-N 370.522 3.506 0 40 FHAB O=S(=O)(c1cccc(OC(F)(F)F)c1)N(Cc1ccccc1)C1CC1 24443839 IQUKAUDYAVLFOW-UHFFFAOYSA-N 371.380 3.939 0 40 FHAB CCn1c(SCc2ccc(F)cc2)nnc(Nc2ccccc2)c1=O 28536756 NCBBRFSBBCLRFI-UHFFFAOYSA-N 356.426 3.833 0 40 FHAB Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)sc1C(=O)O 37238856 HMMDNBLCFKPEGZ-UHFFFAOYSA-N 366.247 3.862 0 40 FHAB O=C(N[C@@H]1CCOc2ccccc21)C1CCN(Cc2ccccc2)CC1 47303269 DMAJIZSYNYWJSE-HXUWFJFHSA-N 350.462 3.539 0 40 FHAB CCOc1ccc(CN(C)C(=O)Nc2ccc(NC(=O)OC)cc2)cc1 47583925 ASZSDAMNENGZJG-UHFFFAOYSA-N 357.410 3.928 0 40 FHAB Cc1c(C(=O)N[C@@H](C)CCc2ccccc2)nnn1-c1ccc(Cl)cc1 51318151 AXOSXHGWUNPLRK-AWEZNQCLSA-N 368.868 3.980 0 40 FHAB Cc1ccc(-c2cc(C(=O)N(C)CC(=O)NC3CC3)c3ccccc3n2)cc1 12584783 BLMLBQZQEYXFGL-UHFFFAOYSA-N 373.456 3.561 0 40 FHAB CCn1nccc1CNC(=O)c1ccc(COc2cc(C)ccc2C)o1 28239232 LPRXOIXWKBLOBL-UHFFFAOYSA-N 353.422 3.622 0 40 FHAB CC(=O)N1C[C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2)Oc2ccccc21 12980550 ZNZPQJXQLVNONN-IBGZPJMESA-N 352.434 3.737 0 40 FHAB COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Cl)cc1Cl 9320598 PJSOEWGAPDRYRN-UHFFFAOYSA-N 366.247 3.642 0 40 FHAB Cc1ccc2cccc(OCC(=O)Nc3ccc4c(c3)OCCCO4)c2n1 9468689 SXSXSPICGSMALX-UHFFFAOYSA-N 364.401 3.722 0 40 FHAB CN(C)c1ncccc1NC(=O)c1ccc(N2CCc3ccccc3C2)cc1 63929765 VUJKDOOSOYECLE-UHFFFAOYSA-N 372.472 3.963 0 40 FHAB Cc1cc(C(=O)COc2ncnc3ccc(Br)cc23)c(C)n1C 6084119 JEPFQIFRUITFDD-UHFFFAOYSA-N 374.238 3.609 0 40 FHAB CC(C)[C@@H](OC(=O)/C=C/c1cscn1)C(=O)NC1CCCCCC1 65336631 PRKSZACSVZDUJY-OAGJVSPASA-N 350.484 3.563 0 40 FHAB Cc1ccccc1-c1noc(Cn2cc(C(F)(F)F)cc(Cl)c2=O)n1 5296335 ZPHPVQXFXBZSBU-UHFFFAOYSA-N 369.730 3.927 0 40 FHAB C[C@H](OC(=O)c1ccc(O)cc1)C(=O)N(c1nccs1)C1CCCCC1 14072254 JBXVETJZORLCQO-ZDUSSCGKSA-N 374.462 3.760 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 14023362 JTPLFDVOGADBOH-NSHDSACASA-N 362.813 3.713 0 40 FHAB COc1cc2c(cc1OC)[C@H](C)N(CC(=O)Nc1cccc(C)c1)CC2 5353822 XHEIGYAEZXTPNW-HNNXBMFYSA-N 354.450 3.570 0 40 FHAB C[C@H](C(=O)Nc1ncc(Cl)cc1Cl)n1ccc(C(F)(F)F)n1 27973867 YAEHSHFQJFCTPY-ZCFIWIBFSA-N 353.131 3.803 0 40 FHAB CCOC(=O)c1ccoc1CSc1nc2ccccc2c(=O)n1C1CC1 14188326 TUWJQOOGOOMUCW-UHFFFAOYSA-N 370.430 3.793 0 40 FHAB COc1ccc(-c2csc(NCCCN(C)C)n2)cc1Br 14113435 IVENLZUASASDLP-UHFFFAOYSA-N 370.316 3.945 0 40 FHAB CN(c1ccc(OC(=O)c2ccccc2)cc1)S(=O)(=O)c1ccccc1 5612822 GGYQLSQTPRXFNY-UHFFFAOYSA-N 367.426 3.731 0 40 FHAB O=C(N[C@@H](Cc1ccccc1)C(=O)NCC1CCCCC1)c1cccs1 6779558 AAPYRWHAQKKLNX-SFHVURJKSA-N 370.518 3.786 0 40 FHAB C[C@H](OC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccccc1F 5781081 WAEQRQLAEUFMJB-JTQLQIEISA-N 371.286 3.908 0 40 FHAB CCNc1ncc(C(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)s1 84791145 XTLILVOXTMFWKT-LLVKDONJSA-N 373.457 3.699 0 40 FHAB COc1ccccc1N1CC(=O)N(c2ccccc2)[C@@H](c2ccccc2)C1=O 15412483 CAFYZGPCMZSNDZ-QFIPXVFZSA-N 372.424 3.816 0 40 FHAB Cn1c(CN2CCC[C@H](OCc3ccccn3)C2)cc2cc(F)ccc21 72129707 KFWUVHXNCNFEMZ-FQEVSTJZSA-N 353.441 3.894 0 40 FHAB COc1cc(C)c(S(=O)(=O)NCCSCc2ccccc2)c(C)c1 116926727 NAYPTERQGNPFKY-UHFFFAOYSA-N 365.520 3.524 0 40 FHAB O=C(CSc1nnc(C2CC2)n1C1CC1)N1CC[C@@H]2CCCC[C@H]2C1 7551022 DQGKLAQKUICNNE-ZFWWWQNUSA-N 360.527 3.621 0 40 FHAB CC(C)c1cc(C(=O)O)c2c(Cc3ccc4c(c3)OCCCO4)noc2n1 62710716 LGRSJPFVWSVPJW-UHFFFAOYSA-N 368.389 3.797 0 40 FHAB COc1cccc(-c2noc(CN3CCCN(C)c4cc(F)ccc43)n2)c1 72308376 LDLMDONXJZSZQJ-UHFFFAOYSA-N 368.412 3.731 0 40 FHAB CC(C)Oc1ccc(C2N3CC4(C(C)C)CN2CC(C(C)C)(C3)C4=O)cc1 19320182 CZYOZNBVNIOGTG-UHFFFAOYSA-N 370.537 3.971 0 40 FHAB biogenic C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)Cc1ccc(Br)s1 19542378 LDDDIHKKJIMYQT-YPMHNXCESA-N 359.333 3.637 0 40 FHAB CC(C)(C)n1cc(C(=O)N[C@@H]2CCc3ccccc32)c(Br)n1 96001633 BKZKMSQXDIKVRV-CQSZACIVSA-N 362.271 3.818 0 40 FHAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(C)o3)C2=O)c1 408932012 AUFATLIESBUIOA-DHDCSXOGSA-N 356.403 3.571 0 40 FHAB Nc1nc(-c2ccc(Br)cc2)c2c(n1)-c1ccccc1C2=O 20798092 HHIXRIVTLNCUEB-UHFFFAOYSA-N 352.191 3.700 0 40 FHAB Cc1ccc(OCCN2C(=O)S[C@H](Cc3ccc(F)cc3)C2=O)cc1 409145138 MUGNDZLKGGUFEU-QGZVFWFLSA-N 359.422 3.820 0 40 FHAB CC(=O)[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Br)cc3)=NN12 28467434 SGASZZNXZRENLB-SJLPKXTDSA-N 371.234 3.908 0 40 FHAB Cc1nc2c(n1C(C)C)CN(C)CC21CCN(Cc2ccccc2)CC1 306144913 ZRZCSUHWEYRVNU-UHFFFAOYSA-N 352.526 3.752 0 40 FHAB Cc1ccc(C2=NN(C(=O)c3cccc(C)c3)[C@](O)(C(F)(F)F)C2)cc1 32101069 ISOBTDACSRMKKV-GOSISDBHSA-N 362.351 3.805 0 40 FHAB CCCCC(=O)Nc1cccc(OCc2cc(=O)n3cccc(C)c3n2)c1 33268567 DUABJAOFBSLWST-UHFFFAOYSA-N 365.433 3.711 0 40 FHAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCC(C)C)cc1 408674798 CSAZUNWQRPDBLW-UHFFFAOYSA-N 364.445 3.960 0 40 FHAB COc1ccc(CN2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@H]3C2)cc1 306134159 NEULACFYEOXMDG-VQTJNVASSA-N 359.473 3.863 0 40 FHAB CCCOc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1OCCC 72414192 MMXZBGXQBVIRHF-IYBDPMFKSA-N 369.527 3.931 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)COc1ccc(OC)cc1 219574060 FBGMIAGKHZYNQK-KBXCAEBGSA-N 361.413 3.575 0 40 FHAB O=C(c1cc(-c2ccncc2)c(N2CCOCC2)s1)N1CCCCCC1 72396901 GRVKGFSMONQFRZ-UHFFFAOYSA-N 371.506 3.663 0 40 FHAB COc1ccc2[nH]c3nc(SCc4nc5ccccc5[nH]4)nnc3c2c1 35313022 QUFHRKQFWOUSST-UHFFFAOYSA-N 362.418 3.683 0 40 FHAB CCc1ccc2c(CNc3ccc4c(c3)CCN4C(C)=O)cc(=O)oc2c1 69415622 JODWVQMLKMDUKD-UHFFFAOYSA-N 362.429 3.877 0 40 FHAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CC 223361349 BXJHHACSMWTYQF-IBGZPJMESA-N 372.896 3.826 0 40 FHAB O=C(c1ccccc1)N1CCN(c2cc(C(F)(F)F)cc(Cl)n2)CC1 43224370 BOGJQWMFRTYCKS-UHFFFAOYSA-N 369.774 3.716 0 40 FHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1C 223340799 BUSHQLUSQOVZNK-RTBURBONSA-N 366.490 3.803 0 40 FHAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1 225004606 FUKKOMQOJYGIDR-GOSISDBHSA-N 374.868 3.973 0 40 FHAB COc1ccc(C(=O)CN2CCCCCN=C2c2ccc(OC)cc2)cc1 41104952 PZXFCRFLTDHEIS-UHFFFAOYSA-N 366.461 3.819 0 40 FHAB Cc1ccc(OCC(=O)NCc2cccc(CN3CCCCC3)c2)c(C)c1 224696641 MKYLSERSXHNEMY-UHFFFAOYSA-N 366.505 3.985 0 40 FHAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCOc1cc(C)ccc1C 224029346 ZBYHLBZHYVCLQN-QGZVFWFLSA-N 357.450 3.665 0 40 FHAB COc1ccc(NC(=O)C(C)(C)NC(=O)OCc2ccccc2)c(C)c1 225925270 GDBISLPNRMOSOM-UHFFFAOYSA-N 356.422 3.647 0 40 FHAB COc1ccccc1N1C(=O)C[C@H](Nc2ccc(Cl)cc2Cl)C1=O 96301215 ZLJHVNPIWUULGV-ZDUSSCGKSA-N 365.216 3.746 0 40 FHAB O=C(c1cc[nH]n1)N1CCC2(CC[C@@H](c3cccnc3)c3ccccc32)CC1 96079698 PAJBAGQYIVSYML-SFHVURJKSA-N 372.472 3.904 0 40 FHAB Cc1ccc(C(=O)N2CC[C@]3(C[C@@H]3C(=O)Nc3cccc(F)c3)C2)cc1 96227212 LTELXZDFODIDDE-NQIIRXRSSA-N 352.409 3.625 0 40 FHAB Cc1cccc(CN2CC[C@@]3(C)[C@@H]2CCC(=O)N3Cc2ccccc2F)n1 257291825 QITUNQYWPMTMLV-UNMCSNQZSA-N 367.468 3.685 0 40 FHAB CCc1nn(C)c(CC)c1CN[C@@H](CN(C)Cc1ccccc1)C(C)C 1181114155 SLKQPQAJANSKAK-NRFANRHFSA-N 356.558 3.791 0 40 FHAB CCc1nc([C@H]2CCCCN2C(=O)c2cccc3c2OCC3(C)C)no1 684051712 UQHQNOSBBFIAKS-OAHLLOKOSA-N 355.438 3.669 0 40 FHAB CCc1ncnc(O[C@H]2CCN(C(=O)Nc3ccccc3Cl)C2)c1F 390828094 OOUODFYCEDSGLZ-NSHDSACASA-N 364.808 3.517 0 40 FHAB COc1ccc(CN[C@H]2CCCN(C(C)=O)[C@H]2Cc2ccc(C)cc2)cc1 585284772 HQBFWZCNYMMYRZ-GOTSBHOMSA-N 366.505 3.715 0 40 FHAB Cc1nc(C2CCCC2)sc1C(=O)NCc1ccc(NC(N)=O)cc1 79397530 QAHORQOSTHLEJN-UHFFFAOYSA-N 358.467 3.530 0 40 FHAB CC(C)[C@H]1c2ccccc2CCN1C(=O)Cn1ccc2ccccc2c1=O 684148846 YOENCAACEKQVTJ-QFIPXVFZSA-N 360.457 3.784 0 40 FHAB Cc1cccc(NC[C@@H]2CCCN2C(=O)c2cnnc(-c3ccccc3)c2)n1 1324316398 NQBRIROOEGZIBS-IBGZPJMESA-N 373.460 3.564 0 40 FHAB O=C1S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1CNc1ccccc1 973390 OSMUXDHHXIZFJG-SXGWCWSVSA-N 354.387 3.521 0 40 FHAB Cc1ccsc1CN1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615154557 HWXNRJGHEXENMN-HXUWFJFHSA-N 374.481 3.594 0 40 FHAB Cc1cc(C)c(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c(C)c1 5438593 HDRJEHFKUBBBIQ-UHFFFAOYSA-N 372.490 3.794 0 40 FHAB O=C(Cc1cccs1)N1CCC(c2ncncc2-c2ccncc2)CC1 12118669 OHPCSDAUTBSFAS-UHFFFAOYSA-N 364.474 3.549 0 40 FHAB CC(=O)Nc1ccc(OCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 12999053 BKFFDVCVONLKHX-DFLMZXFUSA-N 370.493 3.745 0 40 FHAB O[C@@](c1ccccc1)(c1cccnc1)[C@@](O)(c1ccccc1)c1cccnc1 13100250 SWNTUXVFZXJRMT-PSWAGMNNSA-N 368.436 3.649 0 40 FHAB CC(C)(C)c1ccc(-c2noc(CNS(=O)(=O)c3ccccc3)n2)cc1 13495044 IDVZZJKEBHUUSJ-UHFFFAOYSA-N 371.462 3.513 0 40 FHAB Cc1ccc(OC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1 14466353 JSQVBVKLLXUPRI-UHFFFAOYSA-N 356.399 3.781 0 40 FHAB O=C(O)c1ccc2oc(-c3cccc(I)c3)nc2c1 159660589 QPISPTVYTYEINV-UHFFFAOYSA-N 365.126 3.798 0 40 FHAB Cc1occc1-c1nnc(SCc2nnc(-c3cccs3)o2)n1C 5825445 HSPGFBOHQMOEAK-UHFFFAOYSA-N 359.436 3.787 0 40 FHAB CC(C)[C@H](NC(=O)CCNC(=O)Nc1ccccc1)c1ccc(F)cc1 25158864 VXMLHZYYOGBOGB-IBGZPJMESA-N 357.429 3.851 0 40 FHAB O=C(c1ccccc1)N1C[C@@H](COc2ccccc2)O[C@H](c2ccco2)O1 709995 LEHRTFFXYSXILL-RXVVDRJESA-N 365.385 3.830 0 40 FHAB Cc1ccc(CSc2nc(=O)n(Cc3ccccn3)c3c2CCC3)cc1 5264351 FMTJLWHLHPRZJN-UHFFFAOYSA-N 363.486 3.776 0 40 FHAB COc1ccc(-n2ccnc(SCc3ccccc3C)c2=O)cc1OC 9761361 VJUICVGPTVWUEM-UHFFFAOYSA-N 368.458 3.850 0 40 FHAB O=C(c1ccno1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 10254140 LCWWKNXVUGXOQE-UHFFFAOYSA-N 354.366 3.665 0 40 FHAB O=c1ccc(-c2ccccc2)nn1Cc1nc(-c2cccc(Cl)c2)no1 23126862 ORSZPRMVFFGTEY-UHFFFAOYSA-N 364.792 3.662 0 40 FHAB O=C(c1ccc(F)c(F)c1F)N1CCC[C@@H](Oc2ccncc2Cl)C1 575611590 DHNGTAOPDSDPHL-SNVBAGLBSA-N 370.758 3.836 0 40 FHAB O=C(Nc1ccc(-n2cccn2)nc1)c1ccc(Oc2ccccc2)nc1 40141844 GWJHXAIBVRLPFX-UHFFFAOYSA-N 357.373 3.707 0 40 FHAB COc1ccc(CCC(=O)NCc2nc3ccccc3s2)cc1OC 30971967 KUUUFGDSIOYIHM-UHFFFAOYSA-N 356.447 3.563 0 40 FHAB CN(CCCNc1cc(=O)oc2ccccc12)C(=O)c1ccc(F)cc1 101661498 SCFVKFDWBXCNMM-UHFFFAOYSA-N 354.381 3.506 0 40 FHAB COC(=O)c1c(C)cccc1NC(=O)c1cc(C)nc2c1cnn2C(C)C 32859868 CEPWBHLBMOJWTH-UHFFFAOYSA-N 366.421 3.668 0 40 FHAB CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)OC(C)C 649453 OPZXECUIENQIDZ-UHFFFAOYSA-N 368.890 3.607 0 40 FHAB Cc1ccc2c(CC(=O)Nc3cccc(C(=O)N(C)C)c3)coc2c1C 22534451 UHUZNQDQPQCLJM-UHFFFAOYSA-N 350.418 3.933 0 40 FHAB O=C(NC[C@H]1COc2ccccc2O1)N1CCCCC[C@H]1c1ccncc1 43078239 HYUKHBVORPPCDJ-ROUUACIJSA-N 367.449 3.548 0 40 FHAB Cc1ccc(N2N=C(C(=O)Nc3cccc(F)c3)CCC2=O)cc1Cl 12620009 PSQHUTALDGQENP-UHFFFAOYSA-N 359.788 3.909 0 40 FHAB O=C(NCCc1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 1379481 RCWRLQDTAQGUSZ-SFHVURJKSA-N 371.868 3.695 0 40 FHAB O=C(CSCc1cccs1)NCc1ccc(Cn2cccn2)cc1 12626206 VGRAHNMRNKQFFF-UHFFFAOYSA-N 357.504 3.543 0 40 FHAB CC(C)(C)OC(=O)NC1CCN([C@@H](C(=O)O)c2cc3ccccc3o2)CC1 2527329 CMFAGZYMSMFXQA-QGZVFWFLSA-N 374.437 3.548 0 40 FHAB O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc2ccccc2oc1=O 55944321 SZPGSQXFOOMULQ-RBUKOAKNSA-N 367.376 3.582 0 40 FHAB C[C@H]1CN(C(=O)CSc2nc(-c3ccc(F)cc3)cs2)C[C@H](C)O1 3473065 FNYXKHNPAICMNM-RYUDHWBXSA-N 366.483 3.677 0 40 FHAB Cc1nc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc1-c1ccccc1 3893772 AGJLIBAXLKMHRW-QPSCCSFWSA-N 356.447 3.804 0 40 FHAB COC(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1Cc1ccccc1 4244440 KAMLALAVMPSYFK-ZDUSSCGKSA-N 371.437 3.786 0 40 FHAB CCOC(=O)N[C@@H](CC(=O)Nc1ccc(OCC)cc1)c1ccccc1 6351312 JNMBRVKNDKQUKD-SFHVURJKSA-N 356.422 3.901 0 40 FHAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CCCC[C@@H]1C(F)(F)F 57114607 LOUKZYJXKZQJDB-UAGQMJEPSA-N 354.416 3.998 0 40 FHAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NC2CC2)[C@@H]1c1cccs1 6875912 NYTXQNAIDORCQS-MOPGFXCFSA-N 368.502 3.963 0 40 FHAB CCOC(=O)c1ccsc1NC(=O)CSc1nncc2ccccc12 44157380 XJFIUJGHWZNMFC-UHFFFAOYSA-N 373.459 3.599 0 40 FHAB C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)n1c(S)nnc1-c1cccs1 108071779 CBLIFZBJSWKPKW-WOPDTQHZSA-N 350.513 3.551 0 40 FHAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CNC(=O)c1ccccc1 57559384 NLDNGWBLAYPMPH-UXHICEINSA-N 350.462 3.601 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ncccc3O)cc12 57632437 DGCXMMZKIXASLL-UHFFFAOYSA-N 368.393 3.887 0 40 FHAB O=C(COC(=O)c1ccccc1Br)Nc1ccc(Cl)cc1 1934046 KZTMMQQMJNSUTC-UHFFFAOYSA-N 368.614 3.898 0 40 FHAB O=C(CNc1ccc(F)cc1OCCO)Nc1cccc(Cl)c1Cl 58192017 SMPVCFGFDKNUEP-UHFFFAOYSA-N 373.211 3.554 0 40 FHAB O=C(OC1CCCCC1)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3 2101474 QRGVBGXSKFEOTR-UHFFFAOYSA-N 367.445 3.981 0 40 FHAB biogenic O=C([C@@H]1CC(c2cccc(F)c2)=NO1)N(Cc1ccco1)C1CCCC1 58356185 ZTTMJMLFJCGWHM-IBGZPJMESA-N 356.397 3.883 0 40 FHAB O=C(NCc1ccc(OC(F)(F)F)cc1)N1CCc2sccc2C1 10464761 SYCUYEDYSQRTRT-UHFFFAOYSA-N 356.369 3.915 0 40 FHAB C[C@H]1CN(Cc2csc(NC(=O)C[C@@H]3C[C@@H]4CC[C@@H]3C4)n2)C[C@H](C)O1 102694717 XVUHSBOELMAKFU-RBZJEDDUSA-N 363.527 3.517 0 40 FHAB CCCn1c(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)nc2ccccc21 10652989 NXCVKLXKERHZTG-CQSZACIVSA-N 366.396 3.650 0 40 FHAB COc1ccc(F)cc1COC(=O)[C@H](NC(=O)c1ccccc1C)C(C)C 12792622 TWNUOTNSKPTDKP-LJQANCHMSA-N 373.424 3.641 0 40 FHAB CCc1nn2c(O)cc([C@@H](C)Cn3nccc3C)nc2c1-c1ccccc1 100775858 GAZZAXUYJJDZJH-AWEZNQCLSA-N 361.449 3.973 0 40 FHAB COc1cc(NC(=O)c2cccc3c2O[C@@H](C)[C@@H]3C)cc(OC)c1OC 12745698 REEBTEWIEIUBAT-RYUDHWBXSA-N 357.406 3.849 0 40 FHAB O=C(NCc1ccc(OC(F)F)cc1)c1ccc(NC(=O)C2CC2)cc1 11509420 FSPMWFPPQRTRJF-UHFFFAOYSA-N 360.360 3.567 0 40 FHAB CNC(=O)c1ccc(CN(Cc2ccc(F)c3cccnc23)C2CC2)cc1 29718583 HZAJAKGKXUFSAN-UHFFFAOYSA-N 363.436 3.898 0 40 FHAB Cc1cccc(NC(=O)N[C@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)n1 2725376 CPGAAJPTQUOSLS-OAHLLOKOSA-N 373.718 3.852 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3O)n[nH]2)cc1 12475489 ZWWVUOYVXMJOEB-UHFFFAOYSA-N 364.405 3.610 0 40 FHAB Cc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(N(C)C)o2)cc1 12419043 UVFHIKPSHOJNCZ-UHFFFAOYSA-N 360.410 3.688 0 40 FHAB CCN(Cc1ccccc1)[C@H](c1ccccn1)c1nnnn1C(C)(C)CC 57710501 NJNJUICIRCEDCM-LJQANCHMSA-N 364.497 3.825 0 40 FHAB Cn1ccnc1[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1 12559013 YRJCDZTYGQQZHK-GOSISDBHSA-N 373.378 3.887 0 40 FHAB O=C(OCc1cnn(-c2ccccc2)c1)c1cncn1-c1ccc(F)cc1 12550503 PWWALQDWFQZXAK-UHFFFAOYSA-N 362.364 3.554 0 40 FHAB CC[C@@H]1CCCN(C(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)C1 48200121 FGGHYQZZTOQWAV-DOJUMQAQSA-N 354.494 3.587 0 40 FHAB c1ccc(Cn2nnnc2SCCCc2nc3ccccc3o2)cc1 48345904 JAMSIHLJQHHYLU-UHFFFAOYSA-N 351.435 3.588 0 40 FHAB O=C(NC[C@@H]1Cc2ccccc2O1)c1ccc(Br)cc1Cl 48355270 XYDPMVGKHVEPDS-LBPRGKRZSA-N 366.642 3.836 0 40 FHAB CN(CCCOc1cccc(Cl)c1)C(=O)c1cnc2ccccc2n1 48365909 SJWKKNZMEYAQAK-UHFFFAOYSA-N 355.825 3.824 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCSc3ccc(F)cc32)c1 12853386 PBXZHWFTCVPYPT-HNNXBMFYSA-N 351.468 3.958 0 40 FHAB COc1ccccc1C(=O)OCC(=O)Nc1ncc(Cl)c(C)c1Cl 3439838 ZZNRXGYTYWSDFY-UHFFFAOYSA-N 369.204 3.501 0 40 FHAB CC(=O)NCCc1ccc(-c2csc(NC(=O)CC(C)C)n2)s1 9952962 PKQHAWDPFXJIPE-UHFFFAOYSA-N 351.497 3.535 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)Nc1cc(F)cc(N2CCCC2)c1 65492117 XACDCIHBVHJKRE-UHFFFAOYSA-N 356.397 3.726 0 40 FHAB O=C1O[C@H](Nc2ccccc2I)c2ccccc21 6400115 VRYVMTKIQHJPRO-ZDUSSCGKSA-N 351.143 3.572 0 40 FHAB CCNC(=O)c1cccc(NC(=O)CCSc2ccc(F)c(F)c2)c1 14163950 BTLIKHGQERJYQA-UHFFFAOYSA-N 364.417 3.835 0 40 FHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cccc(OC(F)F)c1 14118682 CMTZARLTBCJXDY-ZDUSSCGKSA-N 372.375 3.702 0 40 FHAB CCOc1ccc(CN(C)Cn2nc(-c3ccco3)n(C)c2=S)cc1 14158573 LCVUQQPKSCRLIK-UHFFFAOYSA-N 358.467 3.699 0 40 FHAB COC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3cccs3)cc12 4735755 JVSFXYUPMYHSAL-UHFFFAOYSA-N 365.432 3.699 0 40 FHAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(N2CCOCC2)cc1 5689395 ZCPRFWRDHPYQCQ-UHFFFAOYSA-N 364.367 3.723 0 40 FHAB CCOc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)n[nH]2)cc1 9515488 VQTNVWVRXYUSME-ZDUSSCGKSA-N 368.462 3.990 0 40 FHAB CC1(C)CC(=O)C2(Cc3ccc(Cl)cc3N3CCSC[C@@H]32)C(=O)C1 4915407 WLGCNYMBLRQAKW-OAHLLOKOSA-N 363.910 3.763 0 40 FHAB Cc1cnc(C(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc23)cn1 5938071 LRXUMPWYLLRRKR-INIZCTEOSA-N 362.458 3.890 0 40 FHAB CCCn1c(C)cc(/C=C/C(=O)Nc2ccc(S(=O)(=O)CC)cc2)c1C 23113783 HAMWDYJCUMVUPB-KPKJPENVSA-N 374.506 3.960 0 40 FHAB O=C(O)c1nnn(-c2ccc(Cl)c(C(F)(F)F)c2)c1-c1ccncc1 67323714 UTUQZGIBIZHSLL-UHFFFAOYSA-N 368.702 3.700 0 40 FHAB in-vitro COC(=O)c1c(CSc2nnc3ccccn23)nc2ccccc2c1C 7111402 OODFGTUJLJTODC-UHFFFAOYSA-N 364.430 3.665 0 40 FHAB C[C@@H](C(=O)NCc1ccccc1)N(C)Cc1ccc(Br)cc1 7266104 BQTMQINIAFCRQP-AWEZNQCLSA-N 361.283 3.586 0 40 FHAB O=C1C[C@H](Nc2cccc(F)c2)C(=O)N1c1ccc(Cl)c(Cl)c1 7213278 SQFSHIQCANIXRT-AWEZNQCLSA-N 353.180 3.877 0 40 FHAB O=C(CCc1ccc(F)cc1)Nc1ccccc1OCCn1ccnc1 67680576 GYUUXLMMOXSLMK-UHFFFAOYSA-N 353.397 3.673 0 40 FHAB CS(=O)(=O)c1cc(C(=O)Nc2cccc3ncccc23)ccc1Cl 15979765 KSZFHWIGEFFVCK-UHFFFAOYSA-N 360.822 3.544 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccccc1 9637868 RBOIXTFUMRTIHC-QFIPXVFZSA-N 371.440 3.858 0 40 FHAB Cc1cnc(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)s1 8135628 MFMOTPALLYPOGA-UHFFFAOYSA-N 355.448 3.563 0 40 FHAB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccc2c(c1)CCC2 8311938 YVSSEPWIIUTKDP-CYBMUJFWSA-N 356.495 3.613 0 40 FHAB CC[C@H]1CCCCN1Cc1c(C)nc2ccc(N3CCOCC3)cc2c1O 8717452 KSQNIYSVJOVLND-KRWDZBQOSA-N 369.509 3.850 0 40 FHAB Cc1cc(C)nc(-n2[nH]c(C)c(Cc3ccc(C(C)(C)C)cc3)c2=O)n1 8771397 SEURGKCEJGDLPH-UHFFFAOYSA-N 350.466 3.769 0 40 FHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3cccs3)n2)s1 8718648 PQHGTGXHZWQUCC-UHFFFAOYSA-N 363.489 3.822 0 40 FHAB O=C(CCOc1cccc(Cl)c1)Nc1cccc(Cn2cccn2)c1 25133983 PYCYWWYTEADJMU-UHFFFAOYSA-N 355.825 3.992 0 40 FHAB O=C(CNc1cccc2c1CCCC2)Nc1ccccc1C(=O)NC1CC1 9153878 NQSWDVANJRUFQY-UHFFFAOYSA-N 363.461 3.508 0 40 FHAB C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@H](C2(C)OCCO2)C1 96010285 MEXPBVAXDGXMCY-UONOGXRCSA-N 369.914 3.822 0 40 FHAB CC[C@H](CCO)NC(=O)Nc1ccc(N2CCc3sccc3C2)cc1 97598055 GQYZEEKUOFTVFG-OAHLLOKOSA-N 359.495 3.593 0 40 FHAB O=C(C[C@@H]1COC(=O)C1)Nc1ccc(NCc2ccccc2)c(Cl)c1 84539326 FBJAQJOWRTZHIO-AWEZNQCLSA-N 358.825 3.844 0 40 FHAB COc1ccc(COC(=O)c2ccc(Cl)cc2N2CCCC2=O)cc1 89444055 RMWAVDPVJSPDED-UHFFFAOYSA-N 359.809 3.832 0 40 FHAB C[C@H]1CCCC[C@H]1N1CCN(C(=O)COc2ccc3ccccc3c2)CC1 20569879 JJPMFBPUUZHTSC-PGRDOPGGSA-N 366.505 3.942 0 40 FHAB COc1ccc(C(=O)O)cc1NC(=O)COc1ccc(Cl)cc1Cl 20144214 OWWQIDJTUUYCSF-UHFFFAOYSA-N 370.188 3.718 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)COc2cc(C)cc(C)c2C)c1 22140860 NMAXQTXKIJSKNK-MRXNPFEDSA-N 357.450 3.885 0 40 FHAB O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)[C@@H]1CCCc2nc[nH]c21 548084194 PQDWRHQDHXDWDW-CYBMUJFWSA-N 374.416 3.794 0 40 FHAB Cc1ccc(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1C 22379662 ADNZTILKSMAIMW-UHFFFAOYSA-N 374.506 3.832 0 40 FHAB Cc1cc(OCc2ccc([C@H]3N[C@H](C(=O)O)CS3)o2)ccc1Cl 36624038 XJESZXOUKUJGHR-ZFWWWQNUSA-N 353.827 3.609 0 40 FHAB CC(C)NC(=O)CSc1nc2ccccc2n1Cc1ccccc1F 35289689 ZOKOEHITWJVUIN-UHFFFAOYSA-N 357.454 3.840 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cnc(N(C)C)c(C)c2)cc1 72218658 UNXGYQDWHFCDOQ-LJQANCHMSA-N 373.522 3.680 0 40 FHAB COc1ccccc1CC(=O)NCc1ccccc1CN1CCC(C)CC1 32930422 DBWOSJAEHHKUKI-UHFFFAOYSA-N 366.505 3.786 0 40 FHAB Cc1nc([C@@H]2CCN(C(C)C)C2)ncc1C(=O)Nc1ccc(Cl)cc1 72351976 TVIHJZFAZSGFFF-CQSZACIVSA-N 358.873 3.888 0 40 FHAB C[C@]12Cc3cnc(N)nc3C[C@@H]1CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O 33736331 NPDFNGCPXMLQER-QDYOMNNKSA-N 355.526 3.767 0 40 FHAB O=C(CCc1ccc(F)cc1)Nc1ccccc1C(=O)NCc1ccco1 39536299 JMGPKFVBRZCIOG-UHFFFAOYSA-N 366.392 3.920 0 40 FHAB COc1cccc2c1ccn2CCC(=O)NCC1(CC(=O)O)CCCCC1 40286094 AONLWSDYLQRBBM-UHFFFAOYSA-N 372.465 3.581 0 40 FHAB COc1ccc(CN(C)C(=O)Cc2ccc(Cl)cc2F)cc1OC 225688922 CQIJQKXENQTJSQ-UHFFFAOYSA-N 351.805 3.697 0 40 FHAB CCCCOc1ccc(NC(=O)[C@@](C)(OCC)C2CC2)cc1C(=O)OC 225835768 CWILZUPPXXUXDO-FQEVSTJZSA-N 363.454 3.796 0 40 FHAB Cc1ccc(CSCC(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1 225021250 SWLGYDDEPPSQFE-UHFFFAOYSA-N 358.488 3.780 0 40 FHAB COc1ccccc1OCCNC(=O)[C@@H](C)Oc1ccccc1C(C)C 224422164 HYKBDGAKVZFMET-MRXNPFEDSA-N 357.450 3.781 0 40 FHAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCN(C)c1ccccc1 223129238 MAYUWBGZARFJNJ-JOCHJYFZSA-N 366.505 3.975 0 40 FHAB COc1ccc(CCNC(=S)Nc2nccc(-c3cccs3)n2)cc1 225185300 DLZQODNSURPYAH-UHFFFAOYSA-N 370.503 3.743 0 40 FHAB COc1ccc(NC(=O)NCc2cccc(OCC(F)(F)F)c2)cc1 45952121 GFGJELMEYDMLJW-UHFFFAOYSA-N 354.328 3.958 0 40 FHAB Cc1cccc(OCCNS(=O)(=O)c2cc(Cl)ccc2Cl)c1C 223923827 JZVYOZTWVSQYHL-UHFFFAOYSA-N 374.289 3.968 0 40 FHAB CO[C@@](C)(C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1)C1CC1 225643873 HPNWLUCIFZUJJA-HRAATJIYSA-N 360.498 3.693 0 40 FHAB O=C(Nc1ccccc1)[C@@H]1CN(Cc2ccc(F)cc2)CC12CCOCC2 96052257 FSKHDJIYPWPPMY-FQEVSTJZSA-N 368.452 3.693 0 40 FHAB Cc1cc([C@@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)c(O)c(C(C)(C)C)c1 96193524 ODPKRUZNFCZZRB-UHFFFAOYSA-N 370.453 3.653 0 40 FHAB Cc1nc(COC[C@@]23CCC[C@@H]2CN(C(=O)c2ccccc2)C3)cs1 96109280 QINONLAGPUDLET-XLIONFOSSA-N 356.491 3.911 0 40 FHAB Cc1ccc2c3c1C(=O)C(=O)N3C(C)(C)C=C2CN1[C@H](C)CCC[C@H]1C 334161242 XAZGECPBGQZRLB-HUUCEWRRSA-N 352.478 3.963 0 40 FHAB Cc1cccc(COCC[C@@H]2CCOC23CN(Cc2ccccc2F)C3)n1 247889659 UUECKFCQWYAFLI-LJQANCHMSA-N 370.468 3.727 0 40 FHAB CC(C)[C@@H](NC(=O)[C@H]1C[C@H]2C=C[C@H]1C21CC1)c1ccc2c(c1)OCCO2 248246224 QKFWZDWPAMAVGJ-AXVVYFOYSA-N 353.462 3.873 0 40 FHAB CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)c1nccnc1F 585123336 YXBBVIZYZPNDEY-UHFFFAOYSA-N 360.433 3.537 0 40 FHAB Cc1ncccc1C(=O)N1CCC[C@H](c2ccnc(Nc3ccccn3)c2)C1 257210946 BWVBWNHAJITXPK-SFHVURJKSA-N 373.460 3.943 0 40 FHAB CCOc1ccc(N(C)c2ccc(C3OCC(C)(CO)CO3)cc2)cc1 255188984 MYAGXZNKQHIRJB-UHFFFAOYSA-N 357.450 3.897 0 40 FHAB Cc1ncoc1C(=O)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257339459 ZBVFOIFCTOCPJC-OAHLLOKOSA-N 369.396 3.721 0 40 FHAB CC(=O)N1CCc2c(NC(=O)N[C@@H]3[C@@H](c4ccccc4)C3(C)C)cccc21 626505457 GNFSZHOQPZPCLJ-WOJBJXKFSA-N 363.461 3.909 0 40 FHAB O=C(N[C@H]1CCCc2sccc21)N1CCC[C@@](O)(C(F)(F)F)CC1 288207618 ONEGSSXFYRVBEZ-WFASDCNBSA-N 362.417 3.614 0 40 FHAB COc1ccc(-c2cc(COC(=O)c3ccc4cncn4c3C)on2)cc1 1261581196 JVRHJUUMKAQVFJ-UHFFFAOYSA-N 363.373 3.663 0 40 FHAB CCN(Cc1ccc(OCCN2CCOCC2)cc1)c1ccccc1C 1657809251 HEFUZHSKZCVQFI-UHFFFAOYSA-N 354.494 3.733 0 40 FHAB Cc1nc2cc(NC(=O)NCc3c(C(F)(F)F)cnn3C)ccc2s1 860903725 FVOSXQOTWJRPSJ-UHFFFAOYSA-N 369.372 3.679 0 40 FHAB COc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 5001881 MCZIVZUQFKURPU-NSHDSACASA-N 356.813 3.625 0 40 FHAB CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)/C=C/c2ccccc2)c1 5842117 WMJNFJDZPJHNEX-VAWYXSNFSA-N 367.474 3.808 0 40 FHAB COc1ccc(CN2C(=S)N[C@@H]3C[C@@]2(C)Oc2c(OC)cccc23)cc1 12415953 MSJOYHFZLFADIA-OXQOHEQNSA-N 370.474 3.634 0 40 FHAB C[C@H](Oc1cccc2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 13708986 GWZFHFILRFWTCR-SFHVURJKSA-N 360.457 3.956 0 40 FHAB CC(=O)n1cc(/C=C2\N=C(c3ccccc3)OC2=O)c(-c2ccccc2)n1 13924819 WLSQTPXAMAZOKM-PDGQHHTCSA-N 357.369 3.555 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)C(C)C)ccc2C)cc1 17056191 WDRCTNIWAXHIQK-INIZCTEOSA-N 374.506 3.879 0 40 FHAB Fc1cccc(CNc2ncc(-c3cnccn3)c([C@H]3CCCO3)n2)c1 19293939 GLXDRSQCYKERPD-QGZVFWFLSA-N 351.385 3.536 0 40 FHAB Cc1cccc(CN2C[C@@H](c3cccc(F)c3)[C@@H]3NC(=O)CCCC[C@H]32)n1 19712095 RWNPNKYGNLOFIR-VWPQPMDRSA-N 367.468 3.556 0 40 FHAB Cc1ccc(OCCn2c(CN3CCOCC3)nc3ccccc32)c(C)c1 19939677 MNKVNMWNUWAVLK-UHFFFAOYSA-N 365.477 3.564 0 40 FHAB O=C(NC1CCCCC1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 208870384 XYFFWKNNDVHJII-UYWIDEMCSA-N 357.542 3.924 0 40 FHAB O=C(NCc1ccc(N2CCc3ccccc3C2=O)cc1)c1ccc(F)cc1 514269796 NKKCUIBVBMUPEZ-UHFFFAOYSA-N 374.415 3.959 0 40 FHAB O=S1(=O)[C@H](c2ccccc2)CCN1Cc1cccc(OC(F)(F)F)c1 650322319 QNMFPFPWMBUTFD-INIZCTEOSA-N 371.380 3.862 0 40 FHAB C[C@H]1Oc2c(cccc2C(=O)NC2(c3ccc(F)cc3)CCCC2)NC1=O 591044897 YBZOVJWDIIKDFS-CYBMUJFWSA-N 368.408 3.744 0 40 FHAB COc1ccc(CC(=O)Nc2ccccc2N2CCCCC2)cc1OC 1025921 XJNQWJQBWFLYGJ-UHFFFAOYSA-N 354.450 3.875 0 40 FHAB Cc1cc(OCC(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)ccc1Cl 5994191 VGAKAQNPKULVGG-AWEZNQCLSA-N 373.836 3.548 0 40 FHAB COc1ccc(CN[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cn1 10185661 FLYPHYWHYGVNCL-HXUWFJFHSA-N 365.408 3.699 0 40 FHAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCc3sccc3C2)cc1 12216276 QJTGNNKMUOOFNR-UHFFFAOYSA-N 370.503 3.563 0 40 FHAB CC(C)n1c(N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)nc2ccccc21 1888999946 NIVNJGRLYNHAAI-HOTGVXAUSA-N 370.497 3.920 0 40 FHAB CN(c1ncc(Cl)cn1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 1889098427 LRHSWLGQGDTKOR-UHFFFAOYSA-N 371.794 3.649 0 40 FHAB O=C(c1cc(-c2cccs2)on1)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1565523592 RNPPVWFQYUMJNY-STQMWFEESA-N 354.435 3.608 0 40 FHAB COc1ccc(C(=O)Nc2cccc3nsnc23)cc1Br 4727704 UEDRWPZCRVMOCG-UHFFFAOYSA-N 364.224 3.715 0 40 FHAB COc1ccc(NC(=O)c2c(F)cccc2F)cc1N1CCCCC1=O 5441898 CSWXXKGELMMQFD-UHFFFAOYSA-N 360.360 3.743 0 40 FHAB Cc1ccccc1-c1noc(-c2nnn(-c3cc(Cl)ccc3C)c2N)n1 6868236 HCKSBIYPUZQUGG-UHFFFAOYSA-N 366.812 3.837 0 40 FHAB Cc1cc(C)cc(-n2ccn(Cc3cccc(C(F)(F)F)c3)c(=O)c2=O)c1 20488930 TVPZEUOAYJESFU-UHFFFAOYSA-N 374.362 3.683 0 40 FHAB CCOCc1nnc(NC(=O)CCCOc2ccc(Cl)cc2C)s1 4510366 RCSPLWXZZYMGIB-UHFFFAOYSA-N 369.874 3.834 0 40 FHAB O=C(NCC[C@H](O)c1ccco1)NC(c1ccccc1)c1ccccc1 77113016 RLYBESCJNLJHOL-SFHVURJKSA-N 350.418 3.792 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2ccc(Br)cn2)cc1OC 6569471 QVOOCYHQLJCYQJ-XBXARRHUSA-N 363.211 3.513 0 40 FHAB Cc1ccc(CN(C)C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)cc1 40104598 YXWQZBMMMALLQA-UHFFFAOYSA-N 361.449 3.864 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cccc(CN2CCCC2)c1 31237707 RCUWXZIOWIPVMK-UHFFFAOYSA-N 361.445 3.894 0 40 FHAB CCc1[nH]c(C(=O)N[C@@H]2CCSc3ccccc32)c(C)c1C(=O)OC 32338535 LXCDYTUBQLACTR-CQSZACIVSA-N 358.463 3.639 0 40 FHAB O=C(O)c1cccc(NC(=S)NC(=O)c2ccc3ccccc3c2)c1 310454 FRUADTBKQPYITD-UHFFFAOYSA-N 350.399 3.665 0 40 FHAB CCOC(=O)[C@@H]1CCCN(C(=O)/C=C/c2c(CC)oc3ccccc23)C1 32815023 YCAKHUGWFDSKDI-AYJWMTRPSA-N 355.434 3.810 0 40 FHAB O=C(Nc1cnc(-c2ccccc2)nc1)c1ccc(NC(=O)C2CC2)s1 32882276 KJGADZLEFNMJKR-UHFFFAOYSA-N 364.430 3.806 0 40 FHAB Cn1c(SCc2ccccc2)nnc1-c1ccc2c(c1)OCCCO2 21723263 ISSIYWRDRORVNW-UHFFFAOYSA-N 353.447 3.936 0 40 FHAB COc1cccc(Nc2nc(NC3CCCCC3)nc3c2cnn3C)c1 21873655 LTZGJTNGWMYMDR-UHFFFAOYSA-N 352.442 3.860 0 40 FHAB Cc1nc(S)sc1CC(=O)N1CCC(c2nc3ccccc3o2)CC1 53637606 PRAGLWDHMXIZCO-UHFFFAOYSA-N 373.503 3.830 0 40 FHAB O=C(Nc1ccccc1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 846544 FBPYALJUAXZHSB-FQEVSTJZSA-N 370.408 3.533 0 40 FHAB C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)[C@H]1COc2ccccc2O1 892573 DGJSKZNSBZWPBA-QLJPJBMISA-N 352.217 3.952 0 40 FHAB O=C(c1ccc2ccccc2c1)N1CCN(CCOc2ccccc2)CC1 23079129 GODLHBFOYDURFN-UHFFFAOYSA-N 360.457 3.677 0 40 FHAB CC(C)n1nccc1NC(=O)[C@H](C)N(C)Cc1c(F)cccc1Cl 23820485 HUBSMQXQYVAYTC-LBPRGKRZSA-N 352.841 3.716 0 40 FHAB CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1cccnc1N 23995219 XTKHGWXTNMNKSP-UHFFFAOYSA-N 355.438 3.706 0 40 FHAB COc1ccc(-c2nn3c(Cc4ccccc4C)nnc3s2)cc1OC 632630 RXVOJEZANKIDSC-UHFFFAOYSA-N 366.446 3.769 0 40 FHAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)NCc3ccccc3)n2C)cc1 898489 VQYHMMINORBFML-OAHLLOKOSA-N 366.490 3.588 0 40 FHAB CS(=O)(=O)c1ccccc1-c1nc(-c2cccc(C(F)(F)F)c2)no1 1397978 AUDVCYCUSWEOBP-UHFFFAOYSA-N 368.336 3.826 0 40 FHAB CCCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 2303214 KLDAYHLQEHJNRF-GXTWGEPZSA-N 352.360 3.683 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H](C)NC(=O)Cc2cccc3ccccc23)c1 3345187 KBFPCKOIHFLAPH-HNNXBMFYSA-N 374.440 3.728 0 40 FHAB CCN(c1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1)C(C)C 3359761 XXYDLSAKSDKHPH-UHFFFAOYSA-N 360.479 3.577 0 40 FHAB CN(C)[C@H](CNC(=O)c1cccnc1Sc1ccccc1)c1ccco1 3414495 SZOCRTAHZVCDBY-QGZVFWFLSA-N 367.474 3.859 0 40 FHAB CC(=O)Nc1ccc(NC(=O)COc2ccc(Cl)c(Cl)c2)cc1 3416246 HPGCZPAFOOIBMT-UHFFFAOYSA-N 353.205 3.969 0 40 FHAB COc1cc2cc(C(=O)N3CCCC[C@@H]3c3cccnc3)[nH]c2cc1OC 4000451 TZKHEXZYPGTUIU-GOSISDBHSA-N 365.433 3.948 0 40 FHAB biogenic Cc1cc(C)cc(NC(=O)CSc2ccc(-c3ccncc3)nn2)c1 4391897 FHRLFLJHRDPZLO-UHFFFAOYSA-N 350.447 3.886 0 40 FHAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)c1ccc2ccccc2c1 4469416 ADCXOIYCWJSBHE-UHFFFAOYSA-N 350.418 3.667 0 40 FHAB CCOc1cccc([C@H]2C(C(=O)OC)=C(C)Nc3nc4ccccc4n32)c1 4731485 UPANWCDIDYHRAE-IBGZPJMESA-N 363.417 3.897 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4731748 XCEJKRCTJSBCLD-HNNXBMFYSA-N 374.843 3.817 0 40 FHAB CC(=O)c1ccc(NC(=S)NC(=O)COc2ccc(C(C)C)cc2)cc1 4746987 JMCBZGMLBSCGBQ-UHFFFAOYSA-N 370.474 3.905 0 40 FHAB CCOc1ccc(-c2c(C)s/c(=N\CCO)n2-c2ccccc2)cc1 4785608 DODLACPAQSTHLR-MRCUWXFGSA-N 354.475 3.806 0 40 FHAB Cc1cc(C(=O)COC(=O)c2cn(C)c3ccccc23)c(C)n1C1CC1 5261578 YVVCEZRKLYMIIA-UHFFFAOYSA-N 350.418 3.971 0 40 FHAB CCOc1ccc(C(=O)NC(=S)Nc2ccccc2OC)cc1Cl 5568943 PGJCDINKJBICTH-UHFFFAOYSA-N 364.854 3.874 0 40 FHAB CN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Br)c1 5576686 MFIHZQMNSBBDST-HNNXBMFYSA-N 370.202 3.731 0 40 FHAB C[C@](O)(c1ccccc1)c1ccccc1S(=O)(=O)Nc1ccccc1 6013621 NRPTYJGKSNGZCG-FQEVSTJZSA-N 353.443 3.743 0 40 FHAB O[C@H](CNC[C@@H]1CC1(Cl)Cl)COc1ccc(-c2ccccc2)cc1 6085909 AJPQLHOKRRLUMH-DLBZAZTESA-N 366.288 3.877 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)COc2cccc3ccc(C)nc23)c1C 6612873 GXYQQAAFFSPNQH-UHFFFAOYSA-N 366.417 3.927 0 40 FHAB CC(C)Sc1nc(NCCCO)c2sc3c(c2n1)COC(C)(C)C3 6760025 OIBRWGOVXSCATC-UHFFFAOYSA-N 367.540 3.837 0 40 FHAB Cc1ccc(-c2noc(-c3nnn(-c4cc(F)ccc4F)c3C)n2)cc1 7006592 RRQCGJHXHAEPGV-UHFFFAOYSA-N 353.332 3.879 0 40 FHAB O=C(CSc1nnc(NCc2ccco2)s1)NCC1CCCCC1 7161579 DROSZQBNLZEQLO-UHFFFAOYSA-N 366.512 3.532 0 40 FHAB COc1cccc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)c1OC 7181091 KGIXLTCMKPOANX-UHFFFAOYSA-N 374.780 3.764 0 40 FHAB O=C(Cn1nc(-c2cccs2)oc1=O)Nc1ccc(Cl)c(Cl)c1 7249110 NAMNICBWBFEAQX-UHFFFAOYSA-N 370.217 3.510 0 40 FHAB CC[C@H](Oc1ccccc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 7759844 RTKUULRAUGPNKX-INIZCTEOSA-N 371.824 3.864 0 40 FHAB O=C(Nc1cccc2cccnc12)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 8230800 VPJKAYWFCPTWBE-CQSZACIVSA-N 365.820 3.880 0 40 FHAB O=C(c1ccco1)N1C[C@@H]2C[C@H](C1)c1ccc(C3CCCCC3)c(=O)n1C2 8297489 LZCPLWHZPOWCCE-DOTOQJQBSA-N 366.461 3.749 0 40 FHAB biogenic,in-vitro O=C(Nc1cccc2ncccc12)[C@H]1CC(C2=Cc3ccccc3OC2)=NO1 9048625 WGMMWZOJAZEKKH-OAQYLSRUSA-N 371.396 3.794 0 40 FHAB O=C1C[C@@H](c2c(F)cccc2Cl)c2c(nc(-c3ccccc3)[nH]c2=O)N1 9137785 GMHCTELWOMQCOJ-NSHDSACASA-N 369.783 3.704 0 40 FHAB C[C@@H](Sc1nc(C2CC2)nc2ccccc12)C(=O)NCc1ccco1 9513984 ATIIAUMVMQSHIY-GFCCVEGCSA-N 353.447 3.897 0 40 FHAB O=C(NCc1coc(-c2cccs2)n1)c1c[nH]nc1-c1ccc(F)cc1 10192176 PMSMZIFZXBMYAF-UHFFFAOYSA-N 368.393 3.862 0 40 FHAB CCc1cccc(OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 10444221 YTUUXKHXVPGTCD-UHFFFAOYSA-N 366.461 3.505 0 40 FHAB Cc1ccc(OCCOC(=O)c2ccc(OCc3noc(C)n3)cc2)cc1 11753120 MLXBNDJJXCTWEL-UHFFFAOYSA-N 368.389 3.501 0 40 FHAB CCCn1c(=O)n(CCC(=O)Nc2ccc(SC)cc2)c2ccccc21 12039908 OYCBPOQTVQYICH-UHFFFAOYSA-N 369.490 3.964 0 40 FHAB CCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccccc2F)cc1 12063000 ASGWRPIZDVDHIW-LBPRGKRZSA-N 371.368 3.680 0 40 FHAB Cc1cc2c(cc1C)[C@@H](O)CC1(CCN(C(=O)c3cccs3)CC1)O2 12364631 XEVGMISUJXSEFJ-INIZCTEOSA-N 357.475 3.856 0 40 FHAB COC(=O)c1cc(CSc2nc(C)c(C)n2C[C@H]2CCCO2)oc1C 12535297 PQMGPMUENUAGSU-CQSZACIVSA-N 364.467 3.659 0 40 FHAB CCC(CC)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 12755117 ONQXYXXTLSYNHY-UHFFFAOYSA-N 374.506 3.739 0 40 FHAB Cc1cccc(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)n1 12861321 LVULHYVBAWYCAD-UHFFFAOYSA-N 350.447 3.662 0 40 FHAB COC(=O)c1cnc(NC(=O)CSc2ccc3ccccc3c2)s1 12935222 AIEYJPGFWNMOOI-UHFFFAOYSA-N 358.444 3.814 0 40 FHAB Cc1cc(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3Cc2ccccc2)on1 13225916 WTDHAWPGBRCXQQ-KRWDZBQOSA-N 364.449 3.671 0 40 FHAB Cc1cc(C)n(-c2nc(C)c(Br)c(NCc3ccccc3)n2)n1 13623997 VRHLFUUELWOVEW-UHFFFAOYSA-N 372.270 3.962 0 40 FHAB O=C(NCCC1=CCCCC1)C(=O)NCC1(c2cccs2)CCCC1 13804223 GKGSZZBUZSZXHQ-UHFFFAOYSA-N 360.523 3.683 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(C)cc1 14013624 YOHRROBLYKAFJE-IBGZPJMESA-N 354.450 3.931 0 40 FHAB C[C@H](Sc1ccccc1Br)C(=O)NC(=O)NC(C)(C)C 16549049 KPYHUKUYCSJXAN-VIFPVBQESA-N 359.289 3.554 0 40 FHAB CCCCOC(=O)c1ccc(NC(=O)CSc2ccc(N)cc2)cc1 17073998 DNUIRGCNUJGMEQ-UHFFFAOYSA-N 358.463 3.957 0 40 FHAB Cc1ccc(-n2ncc3c(N4CCc5ccccc5C4)ncnc32)cc1C 17120374 IPILLZZPZGFKAI-UHFFFAOYSA-N 355.445 3.995 0 40 FHAB Cc1cccc2c(C[C@H](C)NC(=O)CCn3ncc4c3CCCC4)c[nH]c12 19236611 LRLONXDFFYUREG-INIZCTEOSA-N 364.493 3.689 0 40 FHAB COc1ccc(OC)c([C@H](O)CN2CCc3c([nH]c4ccccc34)[C@@H]2C)c1 19498292 UNIQDOGKVALDTM-VBKZILBWSA-N 366.461 3.838 0 40 FHAB CCNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCN(CC2CC2)C1 19529121 QGAVMAKZPRFBQG-QHCPKHFHSA-N 363.505 3.529 0 40 FHAB CC[C@@H](CN1CCOCC1)n1cncc1-c1cnn(C2CCCCC2)c1 19654563 XPRSNXVLEHABDQ-SFHVURJKSA-N 357.502 3.535 0 40 FHAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(-c2ccccc2F)s1 19661405 SEHDVFAILPAIAC-JTQLQIEISA-N 361.373 3.889 0 40 FHAB CCC(CC)C(=O)Nc1nc(-c2ccc3c(c2)N(C)C(=O)[C@H](C)O3)cs1 19796649 CWTYWJZONAMDET-NSHDSACASA-N 373.478 3.929 0 40 FHAB COc1c(Cl)cc(C(=O)Nc2ccc(O)c(C(=O)O)c2)cc1Cl 20142542 NTEJKTXFRIKJFE-UHFFFAOYSA-N 356.161 3.658 0 40 FHAB COc1ccc([C@@H](C)NS(=O)(=O)Cc2cccc(Cl)c2)cc1OC 20495481 QOWOWBOPARZKSG-GFCCVEGCSA-N 369.870 3.538 0 40 FHAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1cc(F)ccc1F)SCC(O)=N2 20717368 LEGBBOMHKATVOK-OAHLLOKOSA-N 373.388 3.673 0 40 FHAB CCc1nc2ccc(NS(=O)(=O)c3ccc(OC)c(C)c3)cc2s1 22255141 GCJRWZDCNKRPEF-UHFFFAOYSA-N 362.476 3.977 0 40 FHAB O=C(OCCn1cnc2ccccc2c1=O)c1ccc(Cl)cc1Cl 22468043 GKMWDTBFGFSTMF-UHFFFAOYSA-N 363.200 3.560 0 40 FHAB Cc1sc(-n2cccc2)c(C(=O)N2CCN(c3nccs3)CC2)c1C 23671513 NAYYHQCFYVCGGV-UHFFFAOYSA-N 372.519 3.575 0 40 FHAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3ccc(Cl)cc3)c12 24261462 VWVGEHPCAYTAKK-UHFFFAOYSA-N 354.841 3.738 0 40 FHAB CCc1nnsc1C(=O)NCC(C)(c1ccccc1)c1ccccc1 24501379 VOPBOIITXRJWLP-UHFFFAOYSA-N 351.475 3.837 0 40 FHAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCc4sccc4C3)c12 24830446 MSBDYAXXUAQQNM-UHFFFAOYSA-N 354.479 3.660 0 40 FHAB CC(=O)Nc1ccc(OCC(=O)Nc2ccc(N3CCCC3)cc2C)cc1 24926162 GXHFHZSUHHZADZ-UHFFFAOYSA-N 367.449 3.571 0 40 FHAB CN(C)[C@H](CNC(=O)c1ccc(COc2ccccc2)o1)c1ccsc1 25329538 PISAODLSXGLNRL-GOSISDBHSA-N 370.474 3.953 0 40 FHAB COc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCCC2)c1 27581715 AWOABZLSRKALFW-OAQYLSRUSA-N 352.478 3.961 0 40 FHAB biogenic COc1ccc(CN(C)C(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 30946125 ZNIWWLJFSFKPMR-LJQANCHMSA-N 370.468 3.705 0 40 FHAB COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)ccc1Cl 31056129 OZIARGRMHSZESI-LLVKDONJSA-N 363.797 3.541 0 40 FHAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)C1(c2ccc(F)cc2)CC1 32758995 BJIKJPPJXKVKKV-FQEVSTJZSA-N 352.453 3.811 0 40 FHAB CCOc1cc(C(=O)N2CCCc3ncccc32)cc(OCC)c1OCC 32865893 CJWMTUVVVAADOR-UHFFFAOYSA-N 370.449 3.871 0 40 FHAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(N2CCOCC2)cn1 37151459 CAJPHZGHHSASCV-UHFFFAOYSA-N 374.444 3.541 0 40 FHAB CC(C)OCc1ccc(CNC(=O)c2cc3ccccc3oc2=O)cc1 40122253 YYHUXYUHGHFQKW-UHFFFAOYSA-N 351.402 3.648 0 40 FHAB CO[C@@H](c1ccccc1)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 41195190 BVFWKUZIXGTAGC-FQEVSTJZSA-N 359.491 3.783 0 40 FHAB O=C1CCC(C(=O)N2CCC[C@H]2c2ccsc2)=NN1Cc1ccccc1 48277933 JOZMAZZBEORHOW-SFHVURJKSA-N 367.474 3.590 0 40 FHAB O=C([C@H](c1ccccc1)n1cccc1)N1CCN(c2ccccc2F)CC1 49030894 VAJKGBYQHXOEJK-NRFANRHFSA-N 363.436 3.565 0 40 FHAB COc1ccc(Cl)cc1-n1nnc(C(=O)N[C@H](C)c2ccccc2)c1C 51317592 IMJPXKYQGWWTIN-GFCCVEGCSA-N 370.840 3.729 0 40 FHAB Oc1ccccc1N1CCN(CCOc2ccc(Cl)cc2Cl)CC1 57833559 MFOHEQDNFNFGFH-UHFFFAOYSA-N 367.276 3.900 0 40 FHAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(S(C)(=O)=O)c1 58111591 JVEHXGRHGPIERC-UXHICEINSA-N 371.502 3.889 0 40 FHAB Cc1cc(NC(=O)NCCCN(C)CC(F)(F)F)ccc1N1CCCC1 58156370 HCJTVIGFBNJVSB-UHFFFAOYSA-N 372.435 3.601 0 40 FHAB CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccccc2F)c1C 58186403 AMALJRHXMILIAO-UHFFFAOYSA-N 350.415 3.538 0 40 FHAB Cc1c([C@H](C)NC(=O)c2ccc(Sc3ccccn3)cc2)cnn1C 58278229 HPTPZWGWFLOFKN-ZDUSSCGKSA-N 352.463 3.766 0 40 FHAB Cc1cc(C(=O)COC(=O)c2ccc(N(C)C)c(F)c2)c(C)n1C1CC1 62346262 MVXWOTIGYBHVRH-UHFFFAOYSA-N 358.413 3.685 0 40 FHAB CN(CC1CC1)C(=O)c1c(NC(=O)c2cccnc2)sc2c1CCCC2 64298664 WCCNQUWXICGSDJ-UHFFFAOYSA-N 369.490 3.756 0 40 FHAB O=C(CN1CCc2ccccc21)Nc1ccnc(Sc2ccccn2)c1 65515689 KCZBMOUPORCODG-UHFFFAOYSA-N 362.458 3.629 0 40 FHAB O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cc(F)ccc1F 66803360 FFSGPMFGBWVIMF-UHFFFAOYSA-N 354.360 3.812 0 40 FHAB CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)O[C@@H](C)c2nnc(C)o2)CC1=O 68505685 QCJBVKXZOLZSPX-YDHLFZDLSA-N 371.437 3.549 0 40 FHAB CCCc1ccc(C(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)cc1 70636376 RDPJXISMELGSCI-GOSISDBHSA-N 351.368 3.819 0 40 FHAB C[S@](=O)c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1F 78879225 IZQHVVOJTRQLJW-XMMPIXPASA-N 361.316 3.714 0 40 FHAB Cc1nc(-c2ccccn2)sc1C(=O)NCCO[C@H]1CCCC[C@H]1C 84064749 JPGUXACTSLLDDX-CJNGLKHVSA-N 359.495 3.839 0 40 FHAB Cc1c(C(=O)Nc2cc(F)ccc2OC(F)F)cnn1-c1ccncc1 90660578 URLBTGAHXMQWAL-UHFFFAOYSA-N 362.311 3.569 0 40 FHAB O=C(/C=C/c1ccccn1)Nc1ccc(Cl)cc1C(=O)N1CCCC1 95364807 WVQPZJVWBLCFHL-VQHVLOKHSA-N 355.825 3.623 0 40 FHAB C[C@@H](CN(C)Cc1ccccc1)NC(=O)Nc1cc(F)c(F)cc1F 95463359 SMUOVCWKMJTHJN-LBPRGKRZSA-N 351.372 3.746 0 40 FHAB Cc1cccc(CN2CC[C@@]3(CCCN(Cc4ccc(F)cc4)C3)C2=O)n1 96048797 UHMVGFGCPGDLFV-JOCHJYFZSA-N 367.468 3.544 0 40 FHAB Cc1ccccc1C(=O)N1C[C@H]2CCC[C@@]2(COCC2CCOCC2)C1 96109200 YFEBLDAITAXEAO-KNQAVFIVSA-N 357.494 3.681 0 40 FHAB O=C(c1sc2ccccc2c1Cl)N1CCCN(c2cccnn2)CC1 109629477 VQZVDICQYYVGCV-UHFFFAOYSA-N 372.881 3.697 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)NCc1ccc([C@H](O)c2ccccc2)s1 207969663 FLYWJIDLWGZLIL-MGPUTAFESA-N 367.470 3.914 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)NCCOc1cccc2ccccc12 223555969 MDMJGCNJFSQVJC-INIZCTEOSA-N 365.429 3.811 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 224653679 HWJWLMRZBPLVFB-INIZCTEOSA-N 372.896 3.826 0 40 FHAB O=C(CCc1c(Cl)cccc1Cl)NC[C@H]1COc2ccccc2O1 225283746 MWWVBASDGARSIN-LBPRGKRZSA-N 366.244 3.882 0 40 FHAB COc1ccc(CCS(=O)(=O)N[C@@H](C)Cc2cc3ccccc3o2)cc1 244986296 JOZDNHXGYWIZFQ-HNNXBMFYSA-N 373.474 3.535 0 40 FHAB CC(C)C(=O)N1CC[C@H](c2ccnc3ncc(-c4ccc(F)cc4)n23)C1 257230603 GDAZDVNWRMNSEI-HNNXBMFYSA-N 352.413 3.507 0 40 FHAB CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C[C@H]1CCCO1 260911782 DENGVJWHGYTDPE-AYOQOUSVSA-N 370.522 3.616 0 40 FHAB O=C(NCCC1=CCCCC1)C(=O)NCc1ccc(-c2ccoc2)cc1 390831008 PBLFVZSSVCKTFY-UHFFFAOYSA-N 352.434 3.570 0 40 FHAB CCCCOc1ccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)cc1 409257786 QFCKUVCGJFKNGY-UHFFFAOYSA-N 374.868 3.816 0 40 FHAB CC(C)Cn1cc(NC(=O)N2CCCN(CC3CCCCC3)CC2)cn1 574439753 DTQOGRYEFLIKRL-UHFFFAOYSA-N 361.534 3.659 0 40 FHAB COc1cccc2cc(C(=O)NCC[C@@H](CCO)c3ccsc3)oc12 575608212 QTPRGQFURXDVMA-ZDUSSCGKSA-N 359.447 3.789 0 40 FHAB COc1cc(OC)cc(-c2cccc(NC(=O)[C@@H]3CC34CCOCC4)n2)c1 576203727 FWQVTDRJHZOEAV-KRWDZBQOSA-N 368.433 3.521 0 40 FHAB CC[C@@H](c1cccc(OC)c1)N(C)Cc1cc(=O)n2cccc(C)c2n1 585083851 BERQEZRCYMJSQZ-IBGZPJMESA-N 351.450 3.595 0 40 FHAB COc1cccc(-c2nc(N3CC[C@H]4COC[C@H]4C3)c3ccccc3n2)c1 664552545 IZFCVBIDMBBZJZ-DLBZAZTESA-N 361.445 3.778 0 40 FHAB O=C(NCC1(c2ccsc2)CCOCC1)c1ccc2ncsc2c1 952989766 LOEQIIBYJIHYTR-UHFFFAOYSA-N 358.488 3.836 0 40 FHAB Cc1noc(C)c1CCC(=O)NC[C@@H](O)c1ccc(-c2cccs2)cc1 1775977585 IYEHZCGXBKAKTB-GOSISDBHSA-N 370.474 3.802 0 40 FHAB COc1cccc(-c2cc3c(=O)n(Cc4ccc(C)cc4C)ccn3n2)c1 1889122742 XBMLNOGYURQPLR-UHFFFAOYSA-N 359.429 3.837 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)Nc1ccc(F)cc1 36357281 XUARRJHIJCAPCE-UHFFFAOYSA-N 363.389 3.568 0 40 FHAB COc1ccccc1NC(=O)CSCc1nc(-c2cccs2)no1 36392593 HSCNEUASJVWJDD-UHFFFAOYSA-N 361.448 3.679 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1ncnc2sc3c(c12)CCC3 780914 MGQZAZUEIIJSFN-DGCLKSJQSA-N 361.536 3.967 0 40 FHAB CC[C@H]1CCCCN1C(=O)CSc1nnc(-c2cccc(OC)c2)o1 882370 GSZAZNZDJNTTAU-AWEZNQCLSA-N 361.467 3.628 0 40 FHAB Cc1noc(C(C)C)c1C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 11146490 GMNHGVTWZDBHGR-UHFFFAOYSA-N 367.405 3.882 0 40 FHAB O=C(CCCc1nc(-c2cccs2)no1)Nc1ccc2c(c1)OCCO2 31662512 VQIAISXNEZMYLG-UHFFFAOYSA-N 371.418 3.531 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 3606340 GKAUWJVBMDDYNB-UHFFFAOYSA-N 351.761 3.708 0 40 FHAB O=C(Nc1nc2c(F)cc(F)cc2s1)c1cc(=O)c2ccccc2o1 4331558 XCRRGAZAJGQLJP-UHFFFAOYSA-N 358.325 3.933 0 40 FHAB Cc1cccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)cc2C)c1 8413094 ZGVPJEHFKAGFSV-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB O=C(COc1cccc(Cl)c1)NCc1ccccc1CN1CCCC1 58136457 AFALOZFFGKBAKM-UHFFFAOYSA-N 358.869 3.631 0 40 FHAB CC(C)Oc1ccc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2cccnc2)cc1 100148514 HBZYLPHEUVFRFD-SFTDATJTSA-N 366.505 3.989 0 40 FHAB CCc1ccccc1NC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 102846645 FHDZDONWKKBGKG-RKAKKKFESA-N 350.466 3.775 0 40 FHAB O=C(NCCc1ccccn1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 29440420 IQMPRWUEHRETPE-JOCHJYFZSA-N 370.456 3.748 0 40 FHAB CC(=O)N[C@@H](CC(=O)N(C)Cc1cccs1)c1ccc(Cl)cc1 32736295 UXJVEWZNYHKTIK-INIZCTEOSA-N 350.871 3.627 0 40 FHAB Cc1ccc(CCCNS(=O)(=O)c2ccc(Br)s2)cc1 10110487 PFXKCMBLQJKHKX-UHFFFAOYSA-N 374.325 3.730 0 40 FHAB COc1ccc(CN(C)C(=O)C2CCN(Cc3ccccc3C)CC2)cc1 9062986 GOYZKGSIPWHHTM-UHFFFAOYSA-N 366.505 3.874 0 40 FHAB CCC[C@@H](C)NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 10369592 IWZWLVLFPNTZFT-OAHLLOKOSA-N 360.479 3.714 0 40 FHAB O=C(CSc1ncc(-c2ccccc2)n1C1CC1)NCC(F)(F)F 21702816 OGDCCNKFABEXRW-UHFFFAOYSA-N 355.385 3.656 0 40 FHAB O=C(CCc1nnc(-c2ccccc2)o1)NCCCOC1CCCCC1 21971984 GPOMTMBBQPHHES-UHFFFAOYSA-N 357.454 3.525 0 40 FHAB CC(C)(C)c1cccc(OC(=O)CCc2nc(-c3cccnc3)no2)c1 46430538 UVXWOASDDPKJIH-UHFFFAOYSA-N 351.406 3.967 0 40 FHAB O=C(Cn1ncnc1-c1ccccc1Cl)N[C@@H](c1ccccc1)C1CC1 103136751 OCXMQDPCEDTFSG-IBGZPJMESA-N 366.852 3.866 0 40 FHAB COc1ccc([C@@H](CNC(=N)Nc2ccccc2)N2CCCCC2)cc1 57752114 FAFFUVADPHRESY-HXUWFJFHSA-N 352.482 3.859 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cn2cc(Cl)cn2)cc1 27969519 BBWBIKDJZFLBRX-UHFFFAOYSA-N 355.781 3.566 0 40 FHAB c1ccc(-n2nnnc2Sc2ncnc3c4c(sc23)CCCC4)cc1 941067 ILPZCXDSNGDWFT-UHFFFAOYSA-N 366.475 3.697 0 40 FHAB COc1ccc(Cl)cc1COC(=O)Cc1cnn(-c2ccccc2)c1 23345358 KLJHPBILIVAVFK-UHFFFAOYSA-N 356.809 3.820 0 40 FHAB CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc(Cl)cc2F)CC1 47533278 NVYKTVJEJDJFFB-UHFFFAOYSA-N 356.825 3.608 0 40 FHAB O=c1[nH]c2c(s1)[C@H]1C(=CS2)COc2ccc(Br)cc21 1470519 ATAMBJKUFRTMDH-JTQLQIEISA-N 354.250 3.713 0 40 FHAB Cc1ccc(NC(=O)c2cnn(C(C)(C)C)c2)c(OC[C@@H]2CCCO2)c1 55654350 GCUMDSAJCNWFIM-INIZCTEOSA-N 357.454 3.757 0 40 FHAB CN(C)[C@H](CNC(=O)c1ccc(Br)cc1F)c1ccsc1 25331232 QGMNWMZFDASUSL-CQSZACIVSA-N 371.275 3.682 0 40 FHAB CCOC(=O)c1c(C)nc(Nc2nc(C)c3cccc(C)c3n2)nc1C 20634076 OBGLQVHWXIVGHJ-UHFFFAOYSA-N 351.410 3.574 0 40 FHAB C[C@H](NC(=O)CCc1cnn(-c2ccccc2)c1)c1nc2ccccc2[nH]1 12547923 DCHJKCSDQUWVDU-HNNXBMFYSA-N 359.433 3.559 0 40 FHAB CCN(CC)c1ccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1 12550054 NHYSDXFVNOEROG-KRWDZBQOSA-N 355.413 3.736 0 40 FHAB CCOc1ccc(Nc2ncccc2C(=O)OCC(=O)C(C)(C)C)cc1 12526937 UINHGNPXVLATQE-UHFFFAOYSA-N 356.422 3.996 0 40 FHAB CC(=O)NCc1ccc(C(=O)[C@@H](C)OC(=O)c2cc3ccccc3s2)o1 8329105 SHXZINSXGCMKJZ-LLVKDONJSA-N 371.414 3.559 0 40 FHAB Cc1ccccc1-c1noc(CCC(=O)NCc2cccc(Cl)c2)n1 44842175 WBSPKXXVYJPMTF-UHFFFAOYSA-N 355.825 3.947 0 40 FHAB OC[C@H](O)Cn1c(Cc2ccc(-c3ccccc3)cc2)nc2ccccc21 27697002 SZSKKHGGIBJGDV-HXUWFJFHSA-N 358.441 3.647 0 40 FHAB Cc1cc(F)ccc1NC(=O)c1cccc(NC(=O)CCn2ccnc2)c1 58227329 ZXHUUSNIHWYVMH-UHFFFAOYSA-N 366.396 3.612 0 40 FHAB COc1ccc(CCCNC(=O)N2CCC[C@H]2c2ccncc2)cc1OC 58292530 MNLZJPXYIHBLPR-SFHVURJKSA-N 369.465 3.578 0 40 FHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(N(C)C)cc1 12660807 MISFZQGAUXCNFQ-LZQZEXGQSA-N 361.482 3.913 0 40 FHAB CCCCn1c(S[C@@H]2CCCCNC2=O)nnc1-c1ccc(OC)cc1 10366227 PFDAGYHSCAFBNS-MRXNPFEDSA-N 374.510 3.515 0 40 FHAB CC(C)c1nnc(NC(=O)N[C@H]2CCCc3c2cnn3C(C)(C)C)s1 58378127 IDMAXDDKQHPSNE-LBPRGKRZSA-N 362.503 3.812 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)OCc2cc(=O)oc3cc(C)ccc23)c1C 3355262 HUYCDYLLZIKTQQ-UHFFFAOYSA-N 353.374 3.606 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCOc1cccc(F)c1 48303369 JDYLPSXTJIXUOD-UHFFFAOYSA-N 367.424 3.714 0 40 FHAB O=S(=O)(Nc1ccc(OC(F)F)cc1)c1ccc(F)c(F)c1F 3422994 HMBMODMEZPCGPF-UHFFFAOYSA-N 353.268 3.506 0 40 FHAB O=Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccc(F)cc3)cc2)o1 409182435 KUSOQWPOTOLFOP-UHFFFAOYSA-N 367.332 3.694 0 40 FHAB CCOc1cccc(CNC2CCN(C(=O)c3ccccc3F)CC2)c1 48712588 GZOUYKDNYJKKNI-UHFFFAOYSA-N 356.441 3.619 0 40 FHAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nncn2-c2cccc(Cl)c2)C1 13102022 ZJQOYMIQVPZVKP-BETUJISGSA-N 364.902 3.517 0 40 FHAB COC(=O)c1sccc1NC(=O)Cc1nc(-c2cccs2)oc1C 25032108 YZCSCNBWZXCJRG-UHFFFAOYSA-N 362.432 3.741 0 40 FHAB COCCNC(=O)/C(=C/c1cccc(Cl)c1)c1nc2ccccc2[nH]1 6024851 IEAPWRXHVXLWRK-NTCAYCPXSA-N 355.825 3.520 0 40 FHAB C/C=C/c1ccc(OCC(=O)O[C@H](C)C(=O)Nc2ccccc2)c(OC)c1 6176494 FABBIGITBIOXHL-SGJXGLNRSA-N 369.417 3.678 0 40 FHAB CCCC(=O)N1CCN(c2ccc(NC(=O)C(C)(C)C)cc2Cl)CC1 4412718 CWBUDUFJXGCVFW-UHFFFAOYSA-N 365.905 3.773 0 40 FHAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccc3ccccc3c1)C2=O 14093586 OSQQADQWNLTFBZ-SPLOXXLWSA-N 350.418 3.523 0 40 FHAB O=C(CCCSc1nc2ccccc2[nH]1)Nc1ccc2c(c1)OCCO2 6567069 FLTZJGJDAWVQTH-UHFFFAOYSA-N 369.446 3.845 0 40 FHAB CCN(CC)CCC[C@H](C)NCc1nnc(-c2ccc(Cl)cc2)o1 6552426 MJLYHNZPHXBZLC-AWEZNQCLSA-N 350.894 3.990 0 40 FHAB CCOc1ccccc1NS(=O)(=O)Cc1ccc(Br)cc1 68740961 SLVVZTHQAAXDAC-UHFFFAOYSA-N 370.268 3.790 0 40 FHAB COc1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cn1 7150093 LBHUETOVAXKYDU-UHFFFAOYSA-N 353.403 3.656 0 40 FHAB COc1ccc2oc(C(=O)NCc3ccc(OC)c(OC)c3)c(C)c2c1 7264931 YOGYKBSIAPHHLD-UHFFFAOYSA-N 355.390 3.697 0 40 FHAB C[C@H](Sc1ccccc1)C(=O)N1CCC(NC(=O)c2ccccc2)CC1 8735783 UWLCKPACTGXNEW-INIZCTEOSA-N 368.502 3.588 0 40 FHAB COc1ccc(C(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)cc1 28574318 GMYVOHIPLBQSJH-UHFFFAOYSA-N 359.788 3.985 0 40 FHAB COc1ccc(NC(=O)C2=C(C)Nc3nc(SC)nn3[C@@H]2C(C)C)cc1 8769809 XWGPHMBREGWSOI-OAHLLOKOSA-N 373.482 3.544 0 40 FHAB Cc1oc2ccc(OCc3ccc(F)cc3)cc2c1C(=O)NCCC(=O)O 9577043 WMBWPHMTPZJCCH-UHFFFAOYSA-N 371.364 3.664 0 40 FHAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(C(C)(C)C)cc2)C1=O 409011399 GJTFXELKEAQYHK-PKVLTRFUSA-N 361.463 3.972 0 40 FHAB O=c1[nH]c(-c2ccc(Br)o2)nc2sc3c(c12)CCCC3 9137755 CQUHPOORUPMVSU-UHFFFAOYSA-N 351.225 3.886 0 40 FHAB Cc1ccc2nc(CNc3ccc(Br)cc3C)cc(=O)n2c1 9322558 XCQCCMBVVKRHBG-UHFFFAOYSA-N 358.239 3.686 0 40 FHAB COc1cc2ccccc2cc1C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 20460145 NCXURNMKMGPOJD-IAGOWNOFSA-N 354.494 3.946 0 40 FHAB O=C(CC1CCN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CC1)N1CCCC1 78939235 PSHJNECZDILLFF-HZPDHXFCSA-N 374.447 3.606 0 40 FHAB Cn1cncc1Cc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1 95466453 IWIIOUHIIVGZFG-UHFFFAOYSA-N 356.838 3.629 0 40 FHAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccccc1Cl)cn2C 22237181 YBJCLUNTORERJM-UHFFFAOYSA-N 356.809 3.843 0 40 FHAB CNC(=O)c1cccc(CSc2n[nH]c(/C=C/c3ccccc3)n2)c1 504544980 CYJOJUBQYROTOR-ZHACJKMWSA-N 350.447 3.627 0 40 FHAB O=C(NC(=S)NCc1ccco1)c1cc(Br)ccc1Cl 408627602 MGJICVJMHZOGMA-UHFFFAOYSA-N 373.659 3.500 0 40 FHAB CC(C)n1ccc2c(NC(=O)Cn3ncc4ccccc4c3=O)cccc21 71285869 AFIVXVMSRZWRPW-UHFFFAOYSA-N 360.417 3.571 0 40 FHAB CC[C@H](NC(=O)Cc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 225441226 UFNRYKYHKNUZBE-KRWDZBQOSA-N 365.882 3.554 0 40 FHAB CC(C)Oc1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1Cl 40133298 GWALMSCHMYJUBK-UHFFFAOYSA-N 374.872 3.772 0 40 FHAB COc1ccc(OCC(=O)Nc2c(C)cc3nc(N)sc3c2C)cc1 45890405 ICMMCYFVFXLSAK-UHFFFAOYSA-N 357.435 3.521 0 40 FHAB C[C@H](Cc1ccc(Br)cc1)NC(=O)Cc1cccc(F)c1 40108497 DFSJTBMEQKSJLQ-GFCCVEGCSA-N 350.231 3.878 0 40 FHAB CC[C@H](NC(=O)CCc1ccc(C)c(C)c1)c1ccc(S(C)(=O)=O)cc1 223015282 RMCJWCOEWXOYJK-FQEVSTJZSA-N 373.518 3.907 0 40 FHAB Cc1cc(S(=O)(=O)Nc2ccc(Br)cc2F)ccc1F 225603632 KZVMAYZNTXRZAQ-UHFFFAOYSA-N 362.195 3.837 0 40 FHAB CC(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3ccc(F)cc3)C[C@H]12 96058462 OODGUKZXVGZWRP-VXKWHMMOSA-N 352.453 3.590 0 40 FHAB CCOC(=O)c1csc(NC(=O)c2nc(Cl)sc2CC(C)C)n1 96231489 FGGOFGAIPSGQEC-UHFFFAOYSA-N 373.887 3.881 0 40 FHAB C[C@@]1(c2ncc(Cc3ccccc3)o2)CCCN(C(=O)c2ccncc2)C1 257260643 LDSUIWNRPJOKNW-JOCHJYFZSA-N 361.445 3.854 0 40 FHAB Cn1ccnc1C(=O)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257297601 RHZONZVEWVQGLY-MRXNPFEDSA-N 370.840 3.630 0 40 FHAB Clc1ccccc1CN1CC2(C1)OCC[C@H]2COCc1cccnc1 253491157 LIOQBWZMLRRWIZ-SFHVURJKSA-N 358.869 3.543 0 40 FHAB OC[C@@H](CN[C@H](c1ccc(F)cc1)c1ncc[nH]1)c1ccc(Cl)cc1 672619768 DTSBQROMMLYXFY-CRAIPNDOSA-N 359.832 3.657 0 40 FHAB Cc1cc2ccc(C(=O)N[C@H]3CCN(Cc4ccccc4)C[C@H]3C)cn2c1 672967239 OGSKBGCZSRMVTC-GCJKJVERSA-N 361.489 3.888 0 40 FHAB C[C@@H](NC(=O)C(=O)NCCc1ccc(-c2ccoc2)s1)c1ccccc1 390828258 APQZNNDRKPJACQ-CQSZACIVSA-N 368.458 3.544 0 40 FHAB CO[C@@H](CNS(=O)(=O)c1cccc(Cl)c1C)c1ccccc1C 96105077 PBFPFFRWZIYUDH-INIZCTEOSA-N 353.871 3.623 0 40 FHAB c1cc2c(C[C@@H]3COCCN(Cc4ccc5[nH]ccc5c4)C3)nccn2c1 585182370 USCOSYAPMUYTAK-SFHVURJKSA-N 360.461 3.507 0 40 FHAB O=C(c1cccs1)N1Cc2cccn2C[C@@H](CCNc2ccccn2)C1 585095260 KSUMMKSDKJPYQM-MRXNPFEDSA-N 366.490 3.719 0 40 FHAB COC(=O)Nc1ccc(N[C@@H](C(=O)N2CCCC2)c2ccccc2)cc1 56187306 BFEKQYBCQHBJFR-GOSISDBHSA-N 353.422 3.641 0 40 FHAB CCCCc1nc(C)c(C(=O)NC(C)(C)c2noc(CCC)n2)s1 65405014 MOCFBTQCRHNWMH-UHFFFAOYSA-N 350.488 3.795 0 40 FHAB Cc1ccccc1C[C@@H]1CCCN1CC(=O)N[C@@H]1CCOc2ccccc21 514181565 BGXPVEVDYQEIQN-PZJWPPBQSA-N 364.489 3.642 0 40 FHAB c1ccc(CSCCOCCOCCSCc2ccccn2)nc1 5486963 OTWGHCWIGBZAQG-UHFFFAOYSA-N 364.536 3.676 0 40 FHAB CCOc1cc(/C=C/C(=O)Nc2cc(C(=O)O)ccc2C)ccc1OC 13169966 PTCPUDNMBZDHLH-JXMROGBWSA-N 355.390 3.752 0 40 FHAB CC(=O)Nc1c(S(=O)(=O)c2ccc(C)cc2)c(C)c(C)n1CC(C)C 13687299 REUPAIGSEFFRDR-UHFFFAOYSA-N 362.495 3.861 0 40 FHAB COc1ccc([C@H]2CC(=O)c3cnn(-c4ccc(F)cc4)c3C2)cc1OC 17075200 UPXONAPTSKGVHA-CQSZACIVSA-N 366.392 3.941 0 40 FHAB C[C@H]1CC[C@@H]2[C@@H](O1)c1ccccc1OC21CCN(Cc2cn(C)cn2)CC1 643913502 XNRUARJAGDBWBE-SCWSEQNSSA-N 367.493 3.704 0 40 FHAB O=C(Nc1ccc(C2CCC2)cn1)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F 654104710 UHJDRKPONGRNRB-KBPBESRZSA-N 357.376 3.971 0 40 FHAB Cn1nccc1[C@H]1C[C@H](NCc2ccc(Cl)c3cccnc23)CCO1 556173627 KXQBJSUEVCKALU-RDTXWAMCSA-N 356.857 3.632 0 40 FHAB Cc1ccccc1NC(=O)N1C[C@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888897361 MELVYHQPOVFZEY-QRWLVFNGSA-N 370.428 3.637 0 40 FHAB CC(C)c1nc2ccccc2n1C1CN(S(=O)(=O)c2ccccc2F)C1 1888976955 JKKJGGJWLAEHIV-UHFFFAOYSA-N 373.453 3.544 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2C)c(Br)c1 28043936 XJZCYVOAZZDUTI-TZMCWYRMSA-N 360.317 3.957 0 40 FHAB O=S(=O)(Cc1ccc(F)cc1)NCCc1ccc(-c2ccco2)s1 2087181310 HYFRBUCJYQFUPC-UHFFFAOYSA-N 365.451 3.809 0 40 FHAB COCCn1ccc2c(OCC(=O)c3ccc(Cl)cc3)cccc2c1=O 4584344 XPNXOMGPBBKFNI-UHFFFAOYSA-N 371.820 3.563 0 40 FHAB C[C@H]1CCCN(C(=O)Cc2csc(NC(=O)Nc3ccccc3)n2)C1 9784572 RLRLITUJMWPYEQ-ZDUSSCGKSA-N 358.467 3.588 0 40 FHAB O=C(Nc1nnc([C@H]2CCCO2)o1)c1cccc(Oc2ccccc2)c1 10970974 NGAYHYPYTJUYOD-MRXNPFEDSA-N 351.362 3.966 0 40 FHAB Cc1ccc(OCC(=O)NCc2cc(-c3ccc(F)cc3F)on2)cc1 17042942 HQFBCMHOXXBESY-UHFFFAOYSA-N 358.344 3.623 0 40 FHAB Cc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)sc2nc(-c3ccccc3)cn12 18095689 FBZLESXIWIWSTG-BETUJISGSA-N 355.463 3.621 0 40 FHAB FC(F)(F)c1cc(N2CC(n3c(C4CC4)nc4ccccc43)C2)ncn1 1775970987 LLJGOKCGHQJTBX-UHFFFAOYSA-N 359.355 3.784 0 40 FHAB Cc1ccc(N2N=N[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]32)cc1C 101260340 OFGUCQMPCWBOCQ-SJORKVTESA-N 368.824 3.763 0 40 FHAB O=C(Nc1nc2c(s1)CCCC2)c1ccc(O[C@H]2CCSC2)nc1 225712007 ZVVRVVSRIOJQSV-LBPRGKRZSA-N 361.492 3.554 0 40 FHAB CCSc1nnc(NC(=O)[C@H](CC)Sc2ccccc2N)s1 13573059 UOWPYKNIFCUGFP-JTQLQIEISA-N 354.526 3.742 0 40 FHAB Nc1[nH]n(-c2ccccc2)c(=O)c1[C@H](O)c1cccc(Oc2ccccc2)c1 102411291 CUKFYJCXUDZUOM-HXUWFJFHSA-N 373.412 3.622 0 40 FHAB CC(=O)Nc1nc(COC(=O)c2ccc(COc3ccccc3)o2)cs1 24790971 KVXFMZDECHWFLH-UHFFFAOYSA-N 372.402 3.631 0 40 FHAB COc1ccc(C(=O)OCc2ccc(Br)cc2)c(OC)c1 3246288 HKACZRJXFWOSOX-UHFFFAOYSA-N 351.196 3.823 0 40 FHAB COc1ccc(CC(=O)OCCOc2ccc(Br)cc2)cc1 3272529 RJRZAXZTQXCCJZ-UHFFFAOYSA-N 365.223 3.622 0 40 FHAB C[C@H](NC(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1F 24953979 MJMPYSYIMRNTNY-GJZGRUSLSA-N 367.428 3.870 0 40 FHAB CC(C)C(=O)Nc1nnc(SCC(=O)Nc2ccccc2Cl)s1 1381678 BISIHIBTWDOOLS-UHFFFAOYSA-N 370.887 3.517 0 40 FHAB COc1cc2c(cc1OC)[C@H]1CCc3cc(OC)c(OC)cc3[C@H]1N=C2 1659845 CUKMWZUBYZDJNQ-SZNDQCEHSA-N 353.418 3.925 0 40 FHAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1 3495709 MWNPYCZSKVKDEJ-INIZCTEOSA-N 362.882 3.830 0 40 FHAB O=C(C[C@H](NCCC1=CCCCC1)C(=O)O)Nc1ccccc1Cl 4280012 VEOMCUVLNZHXLW-INIZCTEOSA-N 350.846 3.602 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)Oc2cccc(C)c2)cc1 3282244 SNHBPCANPSYFND-HOTGVXAUSA-N 369.417 3.535 0 40 FHAB O=C(COC(=O)CCSc1ccccc1)NCc1ccccc1Cl 3221106 DEOUNJMKVLLYKE-UHFFFAOYSA-N 363.866 3.682 0 40 FHAB COC(=O)c1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(c2ccc(C)c(F)c2)C(=O)N1 4852880 UNWLFZPGEUNYCD-JXFKEZNVSA-N 370.380 3.690 0 40 FHAB COc1ccccc1OCc1nn2c(-c3cccc(C)c3)nnc2s1 4938705 RWQRXKBZCIYWQD-UHFFFAOYSA-N 352.419 3.749 0 40 FHAB Cc1ccc(-n2nc(C)c(NC(=O)COC(=O)c3ccccc3)c2C)cc1 6065505 HEXVUZHJJVRIDB-UHFFFAOYSA-N 363.417 3.593 0 40 FHAB Cc1ccc(C(=O)Nc2ncc(I)cc2C)cc1 6573336 KEQUUQMSJWRVSE-UHFFFAOYSA-N 352.175 3.555 0 40 FHAB Cc1ccc(CNC(=O)c2nnc(Cc3c(F)cccc3Cl)o2)cc1 6822557 XQYIDANGGZXZAX-UHFFFAOYSA-N 359.788 3.691 0 40 FHAB CC[C@H](C)NC(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1 57487300 IGPAFRFGMVPNRV-LBPRGKRZSA-N 358.829 3.773 0 40 FHAB C[C@@]12CC3CC(C(=O)N4CCN(Cc5ccco5)CC4)(C1)C[C@@](C)(C3)C2 101455318 QLMDOEDJGCQYDW-WJAUWWTJSA-N 356.510 3.920 0 40 FHAB Cc1cc(OCC(=O)Nc2ccn(Cc3ccncc3)n2)ccc1C(C)C 58172976 DFVNLNOHHMSYFD-UHFFFAOYSA-N 364.449 3.776 0 40 FHAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NC1CCCCC1 10315062 NMSABIANJSXKDW-UHFFFAOYSA-N 372.490 3.858 0 40 FHAB Cc1cccnc1NC(=O)C1CCN(c2cccc(C(F)(F)F)n2)CC1 58224979 OGIFFUZCYVMCPK-UHFFFAOYSA-N 364.371 3.659 0 40 FHAB COc1ccc(O)c(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)c1 9064258 MGWPLAYCCMYEPK-RUDMXATFSA-N 362.838 3.581 0 40 FHAB Fc1ccc(-c2cc(N3CCN(c4ccccc4F)CC3)ncn2)cc1 27913637 PYCBFYNRSOFQMF-UHFFFAOYSA-N 352.388 3.748 0 40 FHAB CCOc1ccc(OCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 11584901 IWELVDTXHWBJQV-LJQANCHMSA-N 365.433 3.704 0 40 FHAB O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCc2ccccc2C1 26110882 MLBRAXVBGUEYQW-UHFFFAOYSA-N 356.274 3.882 0 40 FHAB COc1ccccc1CN(C)C(=O)c1cc2c(nc3sccn32)s1 12539952 IUZVVYKXNLKTSW-UHFFFAOYSA-N 357.460 3.891 0 40 FHAB Cc1cccc(-c2noc(CS(=O)(=O)C/C=C/c3ccccc3)n2)c1 48262636 LIMHBQNTQIGUJC-UXBLZVDNSA-N 354.431 3.673 0 40 FHAB Cc1noc(C)c1CC(=O)NCc1ccccc1CN1C[C@H](C)C[C@@H](C)C1 48332101 WHLAJYPFXDKOHZ-HZPDHXFCSA-N 369.509 3.628 0 40 FHAB Cc1nc(CSc2ccccc2C(=O)NCc2ccc(F)cc2)no1 12890723 HIWXQSQEQZIPDH-UHFFFAOYSA-N 357.410 3.739 0 40 FHAB COc1ccc(C(C)=O)cc1CN1C(=O)[C@@H](C)N(c2ccc(C)cc2)C1=O 3411561 RRXQGLXKKKTTQB-CQSZACIVSA-N 366.417 3.564 0 40 FHAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc(CC)cc2)C1=O 3465023 HHMJMNKTPPRQNK-QFIPXVFZSA-N 364.445 3.679 0 40 FHAB O=C1OCCN1CCc1nc(-c2ccc(Br)cc2)cs1 48640407 VGJMSQLNJOXCIU-UHFFFAOYSA-N 353.241 3.567 0 40 FHAB O=C(Nc1nncs1)NC1(c2ccc(Br)cc2)CCC1 48843645 XDUUNVFPGPOHNA-UHFFFAOYSA-N 353.245 3.502 0 40 FHAB Cc1ccc(OCC(=O)c2ccc3c(c2)OCCO3)c(Br)c1 13140748 PWKDPDOTCSBQKK-UHFFFAOYSA-N 363.207 3.790 0 40 FHAB CC(=O)c1ccc(OCC(=O)Nc2ccccc2OC(F)(F)F)cc1 9484503 HVCPQYUEFDWEPD-UHFFFAOYSA-N 353.296 3.805 0 40 FHAB O=C(Nc1cccc(Oc2cnccn2)c1)c1cc(-c2cccnc2)on1 49681429 FWCUVAOTEPDLTO-UHFFFAOYSA-N 359.345 3.571 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(O)cc2)N1Cc1ccco1 5215720 PXQKRRCPYNCRLD-IBGZPJMESA-N 373.364 3.837 0 40 FHAB CC(C)CNC(=O)CN(C)[C@@H](C)c1ccc(-n2cnc3ccccc32)cc1 95455997 LSVJXTHFJQWFKA-KRWDZBQOSA-N 364.493 3.791 0 40 FHAB CC[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 65565150 NFZBFKOYJYIYNW-INIZCTEOSA-N 361.825 3.758 0 40 FHAB CC(=O)Nc1ccc(NC(=O)COc2cccc(F)c2)c(C(F)(F)F)c1 14120035 ADVBSFKEACGNLJ-UHFFFAOYSA-N 370.302 3.820 0 40 FHAB CC[C@@]1(c2ccccc2)NC(=O)N(Cc2coc(-c3cccs3)n2)C1=O 14116067 BZBDXWZYFAHJNT-IBGZPJMESA-N 367.430 3.760 0 40 FHAB O=C(CCN1C(=O)CSc2ccccc21)Nc1ccc2c(c1)CCC2 5405422 RFRLOODBEOQCNU-UHFFFAOYSA-N 352.459 3.643 0 40 FHAB CCOc1ccc(OCCSc2n[nH]c3nc4ccccc4n23)cc1 6504113 REVFHEXGZWDZHS-UHFFFAOYSA-N 354.435 3.780 0 40 FHAB COc1cc([C@@H]2Oc3c(OC)cc([C@H](OC)[C@H](C)O)cc3[C@@H]2C)ccc1O 15112200 DHRVKFSLKMAPEL-SEEPXDQQSA-N 374.433 3.715 0 40 FHAB endogenous,in-man O=C1CCCC[C@H]1Sc1nnc(N2CCCCC2)n1-c1ccccc1 7071848 COYKZRFLSCFMCQ-QGZVFWFLSA-N 356.495 3.861 0 40 FHAB COc1ccc(Br)cc1CN(C)C(=O)c1n[nH]c2ccccc12 7191755 RWYKBASYBAXEEQ-UHFFFAOYSA-N 374.238 3.606 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 9678724 UAJXBDCPPRDWOG-UHFFFAOYSA-N 369.812 3.589 0 40 FHAB NC(=O)N[C@@H](CC(=O)NC1CCCCCCC1)c1ccc(Cl)cc1 15613466 TUIIUJHDWSZFEB-INIZCTEOSA-N 351.878 3.669 0 40 FHAB O=C(c1ccc(F)cc1I)N1CC[C@H]2CCCC[C@H]21 72057441 WGLPEDWEFRTGMW-QMTHXVAHSA-N 373.209 3.835 0 40 FHAB COc1ccc(NC(=O)CN(C)[C@@H]2CCCc3ccccc32)c(OC)c1 8072766 IWSGMTXDSRTZTL-LJQANCHMSA-N 354.450 3.652 0 40 FHAB Cc1ccc(OCc2nc3ccccc3n2CC(=O)N2CCCCC2)cc1 16695091 FNTODGTXIDQAQA-UHFFFAOYSA-N 363.461 3.936 0 40 FHAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1cnn(-c2ccccc2)n1 8190210 UTSOIEXYBUPEOO-UHFFFAOYSA-N 361.449 3.900 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc(C3CC3)n2C2CC2)cc1 8190538 XQBJLDLXYIFHJI-LBPRGKRZSA-N 370.478 3.812 0 40 FHAB C[C@H](CNC(=O)COc1ccc(F)cc1Br)c1ccccc1 8167479 VEJUTFOCGCUVFQ-GFCCVEGCSA-N 366.230 3.887 0 40 FHAB O=C(O)CCSCc1cccc(NC(=O)c2noc3c2CCCC3)c1 95970663 QNJQMIJXFGRCLW-UHFFFAOYSA-N 360.435 3.514 0 40 FHAB COc1ccc([C@@H](NS(=O)(=O)c2cccc(F)c2)c2ccccc2)cc1 8389967 FSOIFZBVXRMKCH-FQEVSTJZSA-N 371.433 3.902 0 40 FHAB Cc1noc2nc(C(C)C)cc(C(=O)NCCN(C)c3ccccc3)c12 97006369 GSNFRXGBEJTVRM-UHFFFAOYSA-N 352.438 3.521 0 40 FHAB CCN(CC)CCN(CC(=O)Nc1ccccc1C)Cc1ccccc1 19367545 OKRHUZMJDXLDRI-UHFFFAOYSA-N 353.510 3.778 0 40 FHAB CCN1CCN(c2cccc(NC(=O)c3cnc4ccsc4c3)c2)CC1 545310824 PGVCNNVKYYFXIY-UHFFFAOYSA-N 366.490 3.691 0 40 FHAB COCCn1ccnc1[C@@H]1CN(Cc2ccccc2F)Cc2ccccc21 306131811 KQCPPJIOQOUHKE-HXUWFJFHSA-N 365.452 3.816 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)n1cnc2cc(C)c(C)cc21 31904013 AFXMXSYYRQQMHS-UHFFFAOYSA-N 350.827 3.552 0 40 FHAB C/C(=C\c1cc(Br)ccc1OC(=O)c1ccco1)[N+](=O)[O-] 408527744 AABZNDCJYLRDDF-VQHVLOKHSA-N 352.140 3.899 0 40 FHAB COc1ccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1OC 39761934 LXTUGJDHMABMGB-UHFFFAOYSA-N 368.477 3.863 0 40 FHAB Cc1ccc(S(=O)(=O)NC[C@H](NC2CCCCC2)c2ccccc2)cc1 32223270 PHZFQBDGZCWYLN-NRFANRHFSA-N 372.534 3.937 0 40 FHAB O=c1c2sccc2nc(SCCN2CCCC2)n1Cc1ccccc1 36357959 HKYSQWVQTBAQRD-UHFFFAOYSA-N 371.531 3.694 0 40 FHAB Cc1cccc(Cn2nccc2NC(=O)COc2ccccc2Cl)c1 30528153 CSZVSQSQZMYICE-UHFFFAOYSA-N 355.825 3.911 0 40 FHAB Nc1nnc(-c2ccc(OCc3ccc(F)cc3)c(Br)c2)o1 216816632 OGPVAWSSMIGLEC-UHFFFAOYSA-N 364.174 3.799 0 40 FHAB O=C(CCc1ccc2c(c1)CCO2)NCCc1c[nH]c2ccc(F)cc12 79482653 LVRQXPWZODCYQC-UHFFFAOYSA-N 352.409 3.533 0 40 FHAB O=S(=O)(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1cccs1 47213409 GEMYMYHZNBVWIQ-HNNXBMFYSA-N 370.927 3.517 0 40 FHAB O=C(NCc1csc(Br)c1)c1ccc(Br)o1 32923021 IMICEWVZSYTUSK-UHFFFAOYSA-N 365.046 3.796 0 40 FHAB CCOc1ccc(-c2nc(NC(=O)C(C)C)sc2CC(=O)O)c(C)c1 85397423 WKRGXDNAPITRCC-UHFFFAOYSA-N 362.451 3.739 0 40 FHAB CCO[C@](C)(C(=O)Nc1ccc(OCCCN2CCCC2)cc1)C1CC1 225723976 LUXFOMYVNOEQHB-NRFANRHFSA-N 360.498 3.695 0 40 FHAB O=C(NCc1nc(-c2cccs2)no1)C1(c2ccccc2)CCCC1 224368151 OQOMSOCAVDLNOS-UHFFFAOYSA-N 353.447 3.926 0 40 FHAB O=C(NCc1ccco1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225576815 OKLMMWTWEJJCPI-UHFFFAOYSA-N 350.821 3.601 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C 223231422 ZUAJHAIGWUPUJJ-HXUWFJFHSA-N 370.468 3.538 0 40 FHAB CCCC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC1CCCC1 223828217 MFQOMMLCOOJYMG-CQSZACIVSA-N 350.890 3.916 0 40 FHAB Cc1cc(N2CCCCC2)nc(NC(=S)NCCCc2ccccc2)n1 225966203 GRJCAISFQCWCOI-UHFFFAOYSA-N 369.538 3.695 0 40 FHAB COc1ccc2cc(S(=O)(=O)NC[C@H](C)c3ccccc3)ccc2c1 225137019 HWQUFCBKCMKMGZ-HNNXBMFYSA-N 355.459 3.930 0 40 FHAB C[C@@H](NC(=O)c1ccccc1)c1onc(-c2ccc(F)cc2)c1C(=O)O 96296960 OSGZOCKJUMGEQV-LLVKDONJSA-N 354.337 3.670 0 40 FHAB biogenic,in-vitro Cc1cccc(COC[C@@H]2C[C@@H]3OCCN(Cc4ccc(C)s4)[C@H]3C2)n1 248127793 XODLUZWKOYXKFN-YYWHXJBOSA-N 372.534 3.956 0 40 FHAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3C)CC2)n1 257229901 FZXWDHRNGGDASN-VDHUWJSZSA-N 364.493 3.893 0 40 FHAB CCOc1ccccc1[C@H](CC)NC(=O)CN1CCC[C@H]1c1ccc[nH]1 252548529 QABROQISDHCDGN-HKUYNNGSSA-N 355.482 3.818 0 40 FHAB CCn1cc(CN2CCO[C@H](c3cccc(-c4cccc(F)c4)n3)C2)cn1 257328462 XFSRDMIAWCRXEO-NRFANRHFSA-N 366.440 3.678 0 40 FHAB Cc1noc(C)c1-c1nccc([C@H]2CCCN2C(=O)c2ccc(F)cc2)n1 257306015 SSMUYUTYPBXBQW-QGZVFWFLSA-N 366.396 3.865 0 40 FHAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1)c1cscn1 257237097 HFDXZQJENDMWDC-HAQNSBGRSA-N 374.491 3.958 0 40 FHAB COc1cccc2c1CN(C(=O)N[C@@H](CCc1ccccc1)C(F)F)C2 624622326 WHPUOACCQYETNF-KRWDZBQOSA-N 360.404 3.987 0 40 FHAB Cc1nnc(CN(C)C(=O)N[C@@H]2CCCOc3c(Cl)cccc32)s1 660989831 BNLPYRFSQIOEEP-CYBMUJFWSA-N 366.874 3.555 0 40 FHAB O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]21 664574729 DFZOCETYETZLKH-NKXUHPISSA-N 366.436 3.541 0 40 FHAB O=C(O)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)c2ccccc21 669435495 IKMXGADDXBUMJG-KFWWJZLASA-N 357.356 3.673 0 40 FHAB Cc1cc(=O)c2oc(-c3ccccc3)c(CC(=O)NCc3ccccn3)c2o1 1772491303 XSFCHRWJYJFQIM-UHFFFAOYSA-N 374.396 3.615 0 40 FHAB CCc1ccc(CN2CCc3oc(C(=O)N(C)C4CC(C)C4)nc3C2)cc1 585112196 MSKJMASEXHDKHQ-UHFFFAOYSA-N 367.493 3.666 0 40 FHAB Cc1ccc(CN2CC3(C[C@H](OCc4cccc(C)n4)CCO3)C2)cc1 585103242 AJBWWCWSUOVSTO-OAQYLSRUSA-N 352.478 3.649 0 40 FHAB Cc1ccc(CCN[C@H]2CCC[C@@H](Oc3ccccc3F)[C@@H]2O)cc1C 585289303 HUEGBLINHUBPDE-KSEOMHKRSA-N 357.469 3.936 0 40 FHAB Brc1csc(-c2noc(CSc3nncs3)n2)c1 48705571 JGEXOXNGFANCCM-UHFFFAOYSA-N 361.271 3.704 0 40 FHAB O=C(c1ccccc1N1CCCC1=O)N1CCC[C@H](Nc2ccccc2)C1 1319266265 ITIJGTKECNDHMV-SFHVURJKSA-N 363.461 3.530 0 40 FHAB O=C(NCCC1=CCCCC1)[C@H]1CCCN1c1ncnc2sccc12 84618333 SEGYCJYLLRVDCO-MRXNPFEDSA-N 356.495 3.667 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(N2CCCC2=O)CC1 85436551 ASQHLLIEFCFTPM-UHFFFAOYSA-N 356.253 3.612 0 40 FHAB CCN(Cc1ccco1)C(=O)Nc1ccc(I)cc1 43189510 WLXXVDNJNPUKSG-UHFFFAOYSA-N 370.190 3.938 0 40 FHAB Cc1ccccc1CN1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615128428 JQUIVFVYFNJTJI-QFIPXVFZSA-N 368.452 3.532 0 40 FHAB CC(=O)c1cccc(NC(=O)C[C@@H]2Nc3cccc4cccc(c34)NC2=O)c1 5018886 LCKPCFUKSUFKRR-IBGZPJMESA-N 373.412 3.804 0 40 FHAB CCOc1ccccc1NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 5127265 MGGXWUCDVGHUMH-UHFFFAOYSA-N 357.450 3.783 0 40 FHAB Cc1cc(C)c(S(=O)(=O)n2cc(/C=C/C(=O)O)c3ccccc32)c(C)c1 5724748 CURGEXKJZPJTHC-CMDGGOBGSA-N 369.442 3.901 0 40 FHAB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccc(F)cc2)s1 11213036 YVAKHKFHHYPNCJ-OAHLLOKOSA-N 362.451 3.520 0 40 FHAB COc1ccc(O[C@@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)cc1 11660745 RIGRRYGRFNWHSG-LBPRGKRZSA-N 353.340 3.798 0 40 FHAB O=C(Cc1cn2ccsc2n1)N[C@H](Cc1ccsc1)c1nccs1 12087883 PTFALYRWPGILIA-CYBMUJFWSA-N 374.516 3.557 0 40 FHAB Cc1ccc2scc(CC(=O)N(CCN(C)C)Cc3cccnc3)c2c1 12360928 QXWGXXXOQRKLNT-UHFFFAOYSA-N 367.518 3.738 0 40 FHAB Cc1cc(C)c2c([C@H]3CCCN3C(=O)c3cccc(F)c3)nn(C)c2n1 12671137 CRCAPDBBIXMFHY-MRXNPFEDSA-N 352.413 3.702 0 40 FHAB COC(=O)C1=C(C)N(CCc2cccs2)C(=O)N[C@H]1c1ccsc1 12951298 LOMOKYKGRFQSPJ-HNNXBMFYSA-N 362.476 3.566 0 40 FHAB Cc1cc(OCC(=O)Nc2ccccc2C(=O)NC(C)C)ccc1Cl 13684283 ITCKLAWMYBTMAV-UHFFFAOYSA-N 360.841 3.804 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc(C)c1 14022923 YYQNQZZPGBNGJQ-IBGZPJMESA-N 354.450 3.931 0 40 FHAB O=S(=O)(Oc1ccc2ccccc2c1)c1ccc2c(c1)OCCCO2 16092085 LGMVLBHLPMNBEN-UHFFFAOYSA-N 356.399 3.769 0 40 FHAB O=C(c1ccccc1)c1ccc(OC[C@H](O)COc2ccc(F)cc2)cc1 24832509 QFVMQWURQVQNLU-IBGZPJMESA-N 366.388 3.875 0 40 FHAB Cc1nn(-c2ccccc2)c2sc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc12 2479400 IQUFGTOPMOXKMC-CHWSQXEVSA-N 355.463 3.645 0 40 FHAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc3ccc(C)cc3s2)cc1 4496183 IQAZFXKZPGRRON-UHFFFAOYSA-N 374.487 3.716 0 40 FHAB CCCc1cc2c(cc1NC(=O)c1ccc(OC)c(OC)c1OC)OCO2 4512300 RNMTYPZJROFPLY-UHFFFAOYSA-N 373.405 3.646 0 40 FHAB CCCCCN[C@@H](CC(=O)Nc1ccc(Nc2ccccc2)cc1)C(=O)O 5258000 NWUUGXHSRDEUPF-IBGZPJMESA-N 369.465 3.992 0 40 FHAB COc1ccc(-n2ccnc(SCc3ccc(C)cc3)c2=O)cc1OC 9761369 DHHRVSDSNKWONJ-UHFFFAOYSA-N 368.458 3.850 0 40 FHAB COc1ccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)cn2n1 11693382 YHXYBHUYUHBXQB-UHFFFAOYSA-N 362.364 3.796 0 40 FHAB CCn1nc(C)cc1C(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1 11696035 VOZIJKASHVJXTL-UHFFFAOYSA-N 354.435 3.790 0 40 FHAB CN1C(=O)CCc2cc(NC(=O)c3cccc(Br)c3)ccc21 16916600 DUKHHOZGGIULNZ-UHFFFAOYSA-N 359.223 3.610 0 40 FHAB c1ccc(-c2nc(CN3CCC[C@H](COc4ncccn4)C3)cs2)cc1 1775969813 LZQJRRLEYYHATJ-INIZCTEOSA-N 366.490 3.891 0 40 FHAB C[C@](O)(CNC(=O)c1csc(-c2ccccc2)n1)Cc1ccsc1 618256135 DJWHMJDKCFPPJJ-GOSISDBHSA-N 358.488 3.595 0 40 FHAB CC(C)(C)C(=O)N[C@H]1CCCN(c2ncc(Cl)cc2Br)C1 2298099646 LAXGXPNFZWXIBT-NSHDSACASA-N 374.710 3.629 0 40 FHAB COC(=O)c1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2ccc(F)c(F)c2)C(=O)N1 4852889 MEGJUGDQKGEKAD-DNVCBOLYSA-N 374.343 3.521 0 40 FHAB COc1cccc([C@@H](CNc2nn3cc(C(C)(C)C)nc3s2)N(C)C)c1 40051241 HSHKCYJUWVATNY-OAHLLOKOSA-N 373.526 3.812 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)NCCCOCc1ccco1 40099150 PVJBMKGBGVVLQR-UHFFFAOYSA-N 352.818 3.978 0 40 FHAB O=C(NCC1(N2CCCCC2)CCCCC1)c1cc(-c2cccnc2)on1 40105408 WUSCEDOAZGHFJF-UHFFFAOYSA-N 368.481 3.655 0 40 FHAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C[C@@H](NC(N)=O)c1ccccc1 40146780 UWZYVMBYNVYLNX-IAGOWNOFSA-N 369.465 3.517 0 40 FHAB CCOC(=O)c1csc(NC(=O)c2cc(SC)ccc2Cl)n1 40159773 VGYYPGQOUKOGKW-UHFFFAOYSA-N 356.856 3.947 0 40 FHAB COc1ccc(NC(=O)[C@@H]2CC(O)=Nc3nc4ccccc4n32)cc1Cl 40267005 HEGIEGPCGSOVCV-AWEZNQCLSA-N 370.796 3.870 0 40 FHAB CC(C)(C)c1ccc(SCC(=O)Nc2cccc(OCC(N)=O)c2)cc1 30923493 ODXLGYRDXIQZAO-UHFFFAOYSA-N 372.490 3.579 0 40 FHAB CC1CCN(Cc2ccc(CNC(=O)CCc3ccccc3O)cc2)CC1 31201248 QMRVHXXNEUXMFO-UHFFFAOYSA-N 366.505 3.873 0 40 FHAB COc1ccc(N2C(=O)c3ccccc3N[C@@]23C(=O)Nc2ccccc23)cc1 101647192 PUEVAKKFBSAJDM-JOCHJYFZSA-N 371.396 3.573 0 40 FHAB Cc1cccc(C(=O)O)c1NS(=O)(=O)c1cc(Cl)sc1Cl 32833720 FCHQZOJBKBGENF-UHFFFAOYSA-N 366.247 3.862 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCO3)c(OC)c1 32869825 MKFIULNLORFPPQ-INIZCTEOSA-N 370.405 3.802 0 40 FHAB COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)cn1 21964581 OMQUTKKHRAYCLR-UHFFFAOYSA-N 373.416 3.600 0 40 FHAB CCc1cccc(CC)c1NC(=O)c1ccc(CN2CCOCC2)cc1 22287032 AKFOKLCDTOHDQN-UHFFFAOYSA-N 352.478 3.896 0 40 FHAB CCNC(=O)c1c(NC(=O)COc2ccc(C)cc2)sc2c1CCCC2 858392 VBHYMAFVYNPRBF-UHFFFAOYSA-N 372.490 3.703 0 40 FHAB Cc1noc([C@@H](C)N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 22931572 DKPMXUXAYFVORH-QGZVFWFLSA-N 362.477 3.846 0 40 FHAB COc1ccc(-c2nnc3n2C(=O)C[C@@H](c2ccc(F)cc2)S3)cc1 957037 GGILFOGMBVKTAY-HNNXBMFYSA-N 355.394 3.970 0 40 FHAB COc1cc(CNC(=O)c2cc(C)ccc2OC)ccc1OC(F)F 24077232 YOMKDTPGMJCGTE-UHFFFAOYSA-N 351.349 3.544 0 40 FHAB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccccc4)cc3)C(=O)[C@H]2C1 991389 QHQUZFGBAVHGEG-MOPGFXCFSA-N 360.413 3.785 0 40 FHAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cccnc1 1418808 UZTGSJXNCQTAEJ-UHFFFAOYSA-N 356.234 3.524 0 40 FHAB COC(=O)c1ccc(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)cc1 2112566 DUYKFGOEMDAKNF-UHFFFAOYSA-N 365.385 3.553 0 40 FHAB biogenic C[C@H]1CCCCN1C(=O)CSc1nnc2c(Cl)cc(Cl)cn12 2661246 UJXQYUOVIMBPEP-VIFPVBQESA-N 359.282 3.529 0 40 FHAB Cc1ccc([C@@H]2SC[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1 2758836 MTLFXXMQWHBSAV-WBVHZDCISA-N 361.850 3.989 0 40 FHAB CCOc1cc(-c2nc3c4ccccc4ncn3n2)ccc1OC(F)F 2806220 LDCBPSYVDQXNHU-UHFFFAOYSA-N 356.332 3.945 0 40 FHAB CCCCCC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 3145257 YBULJNPBOKPANB-UHFFFAOYSA-N 366.504 3.841 0 40 FHAB CN(C(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1)c1ccccc1 3227494 PSFNGMBNPMWWOP-UHFFFAOYSA-N 355.409 3.844 0 40 FHAB Cc1cc(C)c(C(=O)OCC(=O)N[C@H](C)CCc2ccccc2)c(C)c1 3440925 ZBQSJPFRVXSEQA-GOSISDBHSA-N 353.462 3.906 0 40 FHAB O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1c(F)cccc1F 4033028 DNFVPTZTNFQDRP-UHFFFAOYSA-N 350.328 3.927 0 40 FHAB COc1cc(OC)cc(C(=O)N2CCN=C2SCc2ccc(F)cc2)c1 4119937 BKZQAQWJTAOWDM-UHFFFAOYSA-N 374.437 3.588 0 40 FHAB CCOC(=O)c1oc2ccccc2c1NC(=O)Cc1ccc(OC)cc1 4162643 IKNQTRVSSYOBEU-UHFFFAOYSA-N 353.374 3.799 0 40 FHAB CCCCCCN[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)O 4280096 RIDYCJCZJDCQKS-AWEZNQCLSA-N 360.376 3.657 0 40 FHAB CC[C@]1(c2ccccc2)NC(=O)N(Cc2ccccc2Br)C1=O 4477349 NMENZHKGOJVKFY-GOSISDBHSA-N 373.250 3.806 0 40 FHAB COc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c2ccccc12 4517932 JMVOWLZZDYCAEP-UHFFFAOYSA-N 355.415 3.504 0 40 FHAB COc1ccc2oc(C(=O)OCC(=O)Nc3ccccc3OC)c(C)c2c1 4524983 FONSKCRAGKSRCE-UHFFFAOYSA-N 369.373 3.554 0 40 FHAB O=C(Cc1ccccc1)Nc1cccn(Cc2ccc(Cl)cc2)c1=O 5000888 NWLGILVMULNSAY-UHFFFAOYSA-N 352.821 3.731 0 40 FHAB O=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)c1c(F)cccc1F 5464564 CSCRBBLKVAJFBN-SFHVURJKSA-N 359.372 3.875 0 40 FHAB CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(O)cc1 5613250 LQECKWOFBVOWTP-QGZVFWFLSA-N 359.223 3.852 0 40 FHAB O=C(Cc1c(F)cccc1Cl)NC[C@H](c1ccco1)N1CCCC1 5704788 SPKIJRXRWGGHJN-MRXNPFEDSA-N 350.821 3.568 0 40 FHAB COc1ccc(/C=C/C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 5935961 MRDZFQRUDMQZIG-FMIVXFBMSA-N 350.462 3.674 0 40 FHAB CCN(CC)C(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 6139154 FKQDUIKYHZRATB-LJQANCHMSA-N 358.463 3.536 0 40 FHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(C(C)C)cc1 6347020 LXXAUGYBCYMHKW-UHFFFAOYSA-N 358.463 3.954 0 40 FHAB O=C(OCc1cc(Cl)c2c(c1)OCCCO2)c1n[nH]c2ccccc12 6927984 BWWBTEZXZBIJHL-UHFFFAOYSA-N 358.781 3.735 0 40 FHAB COc1cccc(-c2nnc(SCCOc3ccc(F)cc3)n2C)c1 7007578 YVFZLACJIXQYDU-UHFFFAOYSA-N 359.426 3.801 0 40 FHAB O=C(COC(=O)[C@H]1CC=CCC1)N[C@H](c1ccccc1)c1cccs1 7468317 WCUQDDIHCLSRQZ-QFBILLFUSA-N 355.459 3.853 0 40 FHAB CC(=O)c1cccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)c1 7474265 QQTLAHNBPUWMAZ-UHFFFAOYSA-N 368.477 3.550 0 40 FHAB CCOc1cc(C(=O)Nc2nccs2)cc(Br)c1OC 7654793 MUYKYINDBNORQY-UHFFFAOYSA-N 357.229 3.565 0 40 FHAB O=C(OCc1coc(-c2cccs2)n1)c1cc2ccccc2c(=O)[nH]1 8217031 CYJWVGMPUBKDTD-UHFFFAOYSA-N 352.371 3.602 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)NCc1ccc(F)cc1 8271129 DTQDYUIKFQQJJT-UHFFFAOYSA-N 351.425 3.877 0 40 FHAB Brc1ccccc1-c1n[nH]c(SC[C@@H]2CCCCO2)n1 8394543 PVQUGKJXGISIJZ-JTQLQIEISA-N 354.273 3.895 0 40 FHAB NC(=O)c1ccc(NC(=O)c2ccccc2SCc2ccco2)cc1 8942677 OPTNKQMGUKSRTG-UHFFFAOYSA-N 352.415 3.923 0 40 FHAB COc1ccc(-c2cc(C(=O)NCCc3c[nH]cn3)c3ccccc3n2)cc1 9060479 AUMFININZLIVQG-UHFFFAOYSA-N 372.428 3.606 0 40 FHAB CC[C@H](C)n1nccc1NC(=O)COc1ccc(Br)cc1 9250482 CNPKRGFWCZKKTA-NSHDSACASA-N 352.232 3.634 0 40 FHAB O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)NCc1ccco1 9316526 QOWFJMWXGIFKNZ-FQEVSTJZSA-N 352.459 3.605 0 40 FHAB C[C@H](Sc1nnc(-c2cccnc2)n1C)C(=O)c1c[nH]c2ccccc12 9455436 QMCUILGCYAQRRW-LBPRGKRZSA-N 363.446 3.722 0 40 FHAB O=C(Nc1cccc(F)c1)[C@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 9486228 XMRLAWHXSUGJJR-INIZCTEOSA-N 365.408 3.798 0 40 FHAB CCOc1ccc(/C=C(\C(=O)NCc2ccccc2)n2ccccc2=O)cc1 9762323 ZJFOXOOEKRKYAR-LTGZKZEYSA-N 374.440 3.562 0 40 FHAB O=c1oc2c3c(ccc2cc1-c1ccccc1)OCN(C[C@H]1CCCO1)C3 12442430 VOXIDFUGDFFNQQ-QGZVFWFLSA-N 363.413 3.791 0 40 FHAB biogenic Cc1cccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)n1 12527118 GPKBOONKBCOFGM-UHFFFAOYSA-N 359.838 3.627 0 40 FHAB C[C@@H](NC(=S)NCCc1ccccc1)c1ccc(-n2ccnc2)cc1 12530718 UJEHQYLNEPLRHO-MRXNPFEDSA-N 350.491 3.640 0 40 FHAB CC[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)NCc1ccccc1 12721534 INCLXHBYZJHBGS-INIZCTEOSA-N 353.447 3.924 0 40 FHAB COc1cccc([C@H](CNC(=O)c2ccc(C(C)=O)s2)N2CCCC2)c1 13010721 AOKCLUXNOFFKKI-KRWDZBQOSA-N 372.490 3.526 0 40 FHAB NC(=O)CCN(Cc1ccccc1)C(=O)C(c1ccccc1)c1ccccc1 14018218 GKERMQMHCRSTKC-UHFFFAOYSA-N 372.468 3.723 0 40 FHAB O=C(c1cncc(Br)c1)n1cccc/c1=N\C1CCCCC1 14903708 OIKBYBOPWJPRGR-CAPFRKAQSA-N 360.255 3.568 0 40 FHAB COc1ccccc1CCNC(=O)c1c(C)nn(-c2ccccc2)c1Cl 15026134 RHONQRIQPMNISU-UHFFFAOYSA-N 369.852 3.815 0 40 FHAB Cc1sc2ncnc(SCC(=O)NCCc3cccs3)c2c1C 17909489 KBNCBRMWBGSXFC-UHFFFAOYSA-N 363.533 3.821 0 40 FHAB CCN1CCC[C@@H]1CN(Cc1ccccn1)Cc1c(C)nc2sccn12 19527147 OVJLTTMCMMEUDM-GOSISDBHSA-N 369.538 3.586 0 40 FHAB COc1ccc([C@@H]2[C@@H](NC(=O)Cc3ccccn3)[C@H]3CCCC[C@H]32)cc1 19557539 PTSQYYLFOYPPSL-WAGURGNTSA-N 350.462 3.721 0 40 FHAB COc1ccc(CC(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)cc1C 19571065 UIFSNYSRJTYAAO-UHFFFAOYSA-N 363.461 3.829 0 40 FHAB Cc1ccc(-c2cc(C(=O)N3CC[C@](O)(c4ccc(C)cc4)C3)no2)cc1 19715045 FHVYZIQTQVGGDG-JOCHJYFZSA-N 362.429 3.692 0 40 FHAB CCCCN1C(=O)[C@H](C(=O)OCC)[C@H](C(C)C)n2c1nc1ccccc12 20638157 UEMPXKZNNQIKML-SJORKVTESA-N 357.454 3.559 0 40 FHAB O=C1c2ccccc2S(=O)(=O)N1Cc1nc(C2CCCCC2)cs1 21891595 FEWJXIGYMUNYCG-UHFFFAOYSA-N 362.476 3.536 0 40 FHAB COc1cccc(NC(=O)c2cccnc2NCc2ccccc2OC)c1 22072129 HVOHYOZGNRWLNI-UHFFFAOYSA-N 363.417 3.963 0 40 FHAB COc1cc(CNCCN(C)C)ccc1OCc1ccc(F)cc1Cl 22074920 FOKKRQHWQORCNJ-UHFFFAOYSA-N 366.864 3.718 0 40 FHAB COC(=O)c1ccc(OC)cc1OCc1coc(-c2ccc(OC)cc2)n1 22842196 PMZNEHFAAVPUMW-UHFFFAOYSA-N 369.373 3.724 0 40 FHAB CSc1ncc(C(=O)Nc2ccc3c(c2)CCO3)n1-c1ccccc1 23102384 KCHNMUSEIWXFBH-UHFFFAOYSA-N 351.431 3.781 0 40 FHAB C[C@H](NC(=O)CCc1cnn(-c2ccccc2)c1)c1ccc(F)c(F)c1 24353761 ZJWJEKXKPVFAQM-AWEZNQCLSA-N 355.388 3.961 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(Oc2cnccn2)c1 24576130 JMOWJYICWVKUND-UHFFFAOYSA-N 359.382 3.517 0 40 FHAB CC1(C)CC(NC(=O)COc2cccc(C(F)(F)F)c2)CC(C)(C)N1 27935569 RDVCQIABIUVVPL-UHFFFAOYSA-N 358.404 3.510 0 40 FHAB Cc1noc(C)c1Cc1ccc(C(=O)Nc2ccc(-n3cccn3)cc2)o1 28240336 NQDYEFAAZZZVPE-UHFFFAOYSA-N 362.389 3.913 0 40 FHAB O=C(c1cc2ccccc2cc1O)N1CCO[C@H](c2ccc(F)cc2)C1 31176742 PTWYYIFTKXKAOX-FQEVSTJZSA-N 351.377 3.898 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)Nc1noc(-c2cccc(Cl)c2)n1 32623630 NPAADPHJKJXDBO-NSHDSACASA-N 373.796 3.805 0 40 FHAB Cc1cc(C)n(-c2ccc(NC(=O)C(C)(C)Oc3ccc(F)cc3)cn2)n1 32818865 FRGLNJNKCQODGR-UHFFFAOYSA-N 368.412 3.819 0 40 FHAB C[C@H]1C[C@@H](OC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)C(=O)O1 36396506 QOEXXANDPDSWKU-IFXJQAMLSA-N 352.386 3.564 0 40 FHAB COc1ccc(-c2csc(-c3nnn(-c4ccc(F)cc4)c3N)n2)cc1 38486897 DDXGOQCYHOVRCR-UHFFFAOYSA-N 367.409 3.788 0 40 FHAB Cc1ccc(CCCNC(=O)C2CCN(Cc3ccccc3)CC2)cc1 39772932 SFLQTBLDCYNPRJ-UHFFFAOYSA-N 350.506 3.956 0 40 FHAB O[C@H](CNc1nc(-c2ccncc2)nc2ccccc12)c1ccccc1F 40083196 WSEWMHKJEDSFAE-LJQANCHMSA-N 360.392 3.976 0 40 FHAB O=C(Nc1cccc(C(=O)Nc2nc(C3CC3)cs2)c1)c1cccnc1 40086885 SBSCPXWHIWTXFF-UHFFFAOYSA-N 364.430 3.920 0 40 FHAB Cc1ccc(C(=O)NCCCc2cn(-c3ccccc3)nc2C)cc1F 40108786 CMRSISOYEMGYCJ-UHFFFAOYSA-N 351.425 3.991 0 40 FHAB O=C(NCCc1cc(F)cc2c1OCOC2)Nc1cccc2c1CCCC2 40119946 LOAUUOHCDAVMKJ-UHFFFAOYSA-N 370.424 3.935 0 40 FHAB O=C(Nc1ccccc1C(=O)NC1CC1)c1cnc(-c2ccccc2)s1 40130128 QHXPTQAZTQNHAJ-UHFFFAOYSA-N 363.442 3.955 0 40 FHAB CN(Cc1csc(-c2ncccn2)n1)Cc1nc2ccccc2s1 40153514 JLAYNERTRPEHCB-UHFFFAOYSA-N 353.476 3.842 0 40 FHAB CCOC(=O)[C@H](CSc1ccccc1)NC(=O)OCc1ccccc1 43179063 BMXQPIYHLKCTAQ-KRWDZBQOSA-N 359.447 3.637 0 40 FHAB O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)NC1CCCC1 44213349 VGYTVYOCHWAEIW-UHFFFAOYSA-N 352.463 3.776 0 40 FHAB Cc1n[nH]c2c1[C@H](c1c(C)nn(-c3ccccc3)c1C)SCC(O)=N2 44903707 JWUSHYLPWJLVEA-KRWDZBQOSA-N 353.451 3.945 0 40 FHAB COc1ccc(-c2n[nH]cc2[C@@H]2SCC(O)=Nc3[nH]nc(C)c32)cc1 44917360 FAYMJQRNPJUWJX-INIZCTEOSA-N 355.423 3.541 0 40 FHAB CCCS(=O)(=O)NCc1ccc(-c2ccc(Br)cc2)o1 48955712 NLNGYARZTZSSJB-UHFFFAOYSA-N 358.257 3.539 0 40 FHAB CC(C)(C)[C@H](NC(=O)CCC(=O)Nc1nccs1)c1cccs1 56130579 PWZKZOXHKHHUKN-CQSZACIVSA-N 351.497 3.827 0 40 FHAB CCCN1CCN(C(=O)c2cc3sccc3n2Cc2ccccc2)CC1 57697188 MVNHUBQPXUHCCE-UHFFFAOYSA-N 367.518 3.919 0 40 FHAB C[C@@H]1CN(C(=O)CNc2ccccc2Oc2ccccc2Cl)CCO1 57866520 NDKSUYPCBCKMCY-CQSZACIVSA-N 360.841 3.792 0 40 FHAB CCC(C)(C)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 57882446 VJEOOJPIGICBDF-UHFFFAOYSA-N 364.442 3.545 0 40 FHAB CC(C)OCc1ccccc1CNC(=O)[C@H]1CCCN(c2ccccn2)C1 58178722 WEUNXQFHGGGXDG-IBGZPJMESA-N 367.493 3.539 0 40 FHAB COc1ccc(N(C(=O)c2ccc(-n3cccn3)nc2)[C@H](C)C2CC2)cc1 58225340 VHJIJBYXHJISBS-OAHLLOKOSA-N 362.433 3.721 0 40 FHAB Cc1nccc(C(=O)OCc2c(Cl)nc(Cl)n2-c2ccccc2)n1 64808025 GTIDCXSZGYLJRA-UHFFFAOYSA-N 363.204 3.635 0 40 FHAB COc1cc(NC(=S)Nc2ccc(F)cc2C)cc(OC)c1OC 71761133 XVMGVDPDSDYVKH-UHFFFAOYSA-N 350.415 3.969 0 40 FHAB Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)CC[C@H]2CCCCO2)cc1 72303172 ZBDNABHCRLZQAC-NHCUHLMSSA-N 359.510 3.894 0 40 FHAB CC(C)(C)OC(=O)N1CCCC[C@H]1CCc1cnc(Br)cn1 74941274 IOGPUXJIJOMFRQ-ZDUSSCGKSA-N 370.291 3.961 0 40 FHAB Cc1cc(C)c(C(=O)Cn2cccc(-c3nc(C4CC4)no3)c2=O)cc1C 75166136 UUBMUPVKWWLFCU-UHFFFAOYSA-N 363.417 3.584 0 40 FHAB C[C@H]1CN(c2ccc3nnc(C(F)(F)F)n3n2)CC[C@@H]1c1ccccc1 78410065 YFEBQXMVFNYELJ-JSGCOSHPSA-N 361.371 3.773 0 40 FHAB CN(C)c1cccc([C@@H]2CCCN2S(=O)(=O)CC2CCCCC2)c1 78775509 QFPRDSQVSURPDU-IBGZPJMESA-N 350.528 3.800 0 40 FHAB Cn1c(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)cc2cc(Cl)ccc21 79189580 CPPBIVWZZPNGIJ-KBXCAEBGSA-N 359.901 3.826 0 40 FHAB biogenic O=C(c1ccco1)N1CC(Oc2nc3c(C(F)(F)F)cccc3s2)C1 90594090 FBBYHUHPZXTXRE-UHFFFAOYSA-N 368.336 3.812 0 40 FHAB COc1cc2c(c(CN(C)Cc3nc4ccccc4n3C)c1)O[C@@H](C)C2 93363877 WHSFPCWNFDLWLI-AWEZNQCLSA-N 351.450 3.537 0 40 FHAB CNC(=O)c1ccccc1OCc1cccc(NC(=O)OC(C)(C)C)c1 95445287 ZQMPXXIWLJWQIP-UHFFFAOYSA-N 356.422 3.972 0 40 FHAB Cc1ccc([C@@H]2CN(Cc3c[nH]nc3-c3ccccc3)C[C@H]2N(C)C)cc1 95502185 UBBANEKEVCWKLQ-FCHUYYIVSA-N 360.505 3.915 0 40 FHAB C[C@H](NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1)[C@H]1C[C@@H]2CC[C@@H]1C2 101616259 BBSVCYAZNREFTL-OIMNJJJWSA-N 355.404 3.720 0 40 FHAB COC(=O)c1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccc(Cl)cc1)N2 102138106 PVILLTRGKFQJMC-INIZCTEOSA-N 366.808 3.774 0 40 FHAB CC(C)(Cc1ccc(Br)cc1)NCc1cccc(C(N)=O)c1 105491106 CQLDWJBERCZQEP-UHFFFAOYSA-N 361.283 3.659 0 40 FHAB C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 108287541 LIOFXFTVHUGPMJ-RIFZZMRRSA-N 356.466 3.806 0 40 FHAB Cn1cccc1CN(C(=O)CCc1ccccc1Br)C1CC1 207974438 IZPWHXGBUFXCAU-UHFFFAOYSA-N 361.283 3.911 0 40 FHAB CCc1ccccc1O[C@@H](C)C(=O)NCCCN1CCCc2ccccc21 219297624 SEOIJIZCGSXTJL-SFHVURJKSA-N 366.505 3.975 0 40 FHAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1 222996334 AQROCDWWVGXMIL-IBGZPJMESA-N 366.505 3.871 0 40 FHAB CC(C)(C)NC(=O)CCc1ncc(-c2cccc(Br)c2)o1 224883052 SFAGDPFNPIPAJV-UHFFFAOYSA-N 351.244 3.951 0 40 FHAB COc1ccccc1O[C@@H](Cc1cccc(Br)c1)C(=O)O 225063691 XTYJMMQFBMJQDP-HNNXBMFYSA-N 351.196 3.532 0 40 FHAB COC(=O)c1cccc(NC(=S)NCCSCc2ccccc2)c1 225290780 CCBCXFOWBOLQGY-UHFFFAOYSA-N 360.504 3.693 0 40 FHAB O=C(COc1ccc(Cl)cc1)NCCc1cnc(-c2ccccc2)nc1 225592238 ARLCXHSIVXSTIS-UHFFFAOYSA-N 367.836 3.535 0 40 FHAB Cc1ccsc1CN1Cc2ccnn2[C@H](CCOCc2cccnc2)C1 253599780 UJJBWBTUCDTATA-LJQANCHMSA-N 368.506 3.812 0 40 FHAB Cc1cnc2n1C[C@@H](c1ccccc1)N(C(=O)CCc1cccs1)C2 257246692 IVJMQNXAVMQAFQ-SFHVURJKSA-N 351.475 3.969 0 40 FHAB C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)N3CCC(O)CC3)c1O)OC2(C)C 257249344 JHUVHGUIXKIPFN-KBRIMQKVSA-N 373.493 3.680 0 40 FHAB O=C(N1CCCC[C@H]1c1cc[nH]n1)C1(Cc2ccccc2)CCOCC1 257336766 YPYPFBUMWWBKFW-IBGZPJMESA-N 353.466 3.503 0 40 FHAB Cc1nn(C)c(C)c1CN1CCC[C@H]1c1ccnc(Nc2ccccn2)c1 257343752 ZUGRSVJKTVIBIP-IBGZPJMESA-N 362.481 3.908 0 40 FHAB COc1ccc2cc(C(=O)N3CC[C@]4(CCc5ccccc5O4)C3)[nH]c2c1 517788907 BXCBLYDCXZOWTH-JOCHJYFZSA-N 362.429 3.786 0 40 FHAB O=C(CC[C@@H]1CCC(=O)N1)Nc1ccc(-c2nc3ccccc3s2)cc1 584033986 AENZNZSTVLPAGP-OAHLLOKOSA-N 365.458 3.961 0 40 FHAB Cc1ccccc1N1CCC(O)(CN2CCC[C@H]3OC(C)(C)CC[C@H]32)CC1 585282742 AIAQYUXIUPUDFA-NHCUHLMSSA-N 372.553 3.748 0 40 FHAB O=S(=O)(NCC(c1ccco1)c1ccco1)c1cccc2cccnc12 675007863 WPTYDCMXRPMTCI-UHFFFAOYSA-N 368.414 3.531 0 40 FHAB O=C(NC1(c2ccc(F)cc2)CCC1)c1c(C(F)F)nc2cnccn12 1131598388 YIJPMIBDRWCTFQ-UHFFFAOYSA-N 360.339 3.615 0 40 FHAB Cc1ccc(C(=O)N2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)cn1 1147163171 VEOOJPYOQBPYKS-LEWJYISDSA-N 350.462 3.642 0 40 FHAB Clc1ccc2c(c1)OCCC[C@@H]2NC1CCN(c2ncccn2)CC1 1615573574 SRUZVLIFTKXGMB-KRWDZBQOSA-N 358.873 3.602 0 40 FHAB O=C1C[C@]2(CCCN(Cc3ccccc3F)CC2)Nc2ccccc2CN1 2037978488 YTXZUPCQELXUSD-JOCHJYFZSA-N 367.468 3.682 0 40 FHAB Cc1ccc(C)c(CS(=O)(=O)[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1 36390009 FIADSBCDYZIZEL-ITQYTPKQSA-N 365.539 3.548 0 40 FHAB Cc1ccc(/C=C/C(=O)N2CCCc3c(C(=O)NC(C)C)cccc32)o1 11076684 MSYKCCZLFYFAHG-VAWYXSNFSA-N 352.434 3.719 0 40 FHAB Cc1cc(C)cc(OCC(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)c1 1923137 RPJNJQMFHLXLSB-AWEZNQCLSA-N 361.825 3.906 0 40 FHAB COc1ccc(C(=O)Nc2ccccc2C(=O)N(C)Cc2ccco2)cc1 31459000 HVWXOGQDOPBZJP-UHFFFAOYSA-N 364.401 3.813 0 40 FHAB O=C(Cc1ccccc1)Nc1ncc2c(n1)C[C@@H](c1ccccc1)CC2=O 2400808 QPJWODCZUISANR-QGZVFWFLSA-N 357.413 3.571 0 40 FHAB O=C1c2ccc(Br)cc2C(=O)N1Cc1ccccc1Cl 4131038 MWEZGIJTUOWKDY-UHFFFAOYSA-N 350.599 3.899 0 40 FHAB CCN(CC)C[C@@H](O)c1cc(Br)cc(Br)c1 6382468 GKEFJYGSBIPDAM-GFCCVEGCSA-N 351.082 3.587 0 40 FHAB Cc1c(C(=O)NCc2ccccc2Cl)nnn1-c1cccc(Cl)c1 51317650 MMSGIRFQEDZTNQ-UHFFFAOYSA-N 361.232 3.813 0 40 FHAB Cn1cc(-c2nn(Cc3ccc(F)cc3)c(-c3cnn(C)c3)c2Cl)cn1 36611547 FXMCPNXHSHPCCP-UHFFFAOYSA-N 370.819 3.525 0 40 FHAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccccc2OC)cc1 8500058 SAGLTAUVLVOVOH-MRXNPFEDSA-N 357.406 3.668 0 40 FHAB Clc1ccccc1-c1n[nH]c(Nc2ccc(N3CCOCC3)cc2)n1 8928344 DFZJYRBEKKFYKJ-UHFFFAOYSA-N 355.829 3.705 0 40 FHAB C[C@H](Sc1nnc2sc3ccccc3n12)C(=O)NCc1ccccc1 20882498 PKDZZVSORXJXRJ-LBPRGKRZSA-N 368.487 3.741 0 40 FHAB CCOc1ccc2nc(NC(=O)CCc3ccc4c(c3)OCO4)sc2c1 10406932 APVKQWUCRHHGCP-UHFFFAOYSA-N 370.430 3.995 0 40 FHAB Cc1ccc(C(C)(C)CNC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)cc1 83650312 SJFAPAZGNAGFEG-FQEVSTJZSA-N 374.525 3.642 0 40 FHAB CCCN(Cc1ccc(C)cc1)C(=O)COc1ccc2c(c1)CCC(=O)N2 32754814 DHTCAWVUWPRRRS-UHFFFAOYSA-N 366.461 3.697 0 40 FHAB COc1ccc2nc(NC(=O)Cc3c(C)nn(CC(C)C)c3C)sc2c1 32768016 LISPKBUZPOSFIO-UHFFFAOYSA-N 372.494 3.955 0 40 FHAB CN(Cc1c(F)cccc1Cl)C(=O)Cc1ccc(N2CCCC2=O)cc1 21598338 KILFEQCMNGLPLD-UHFFFAOYSA-N 374.843 3.807 0 40 FHAB Cc1ccc2nc(CN3CCCc4ccc(C(F)(F)F)cc43)cc(=O)n2c1 32868845 LDKFJPAWRJQGOG-UHFFFAOYSA-N 373.378 3.975 0 40 FHAB C[C@H]1CCCN(C(=O)COc2ccc(NC(=O)c3cccs3)cc2)C1 2640089 HJLQXSSOLMRLJF-AWEZNQCLSA-N 358.463 3.638 0 40 FHAB Cc1ccccc1OCC(=O)Nc1ccccc1C(=O)NCc1ccco1 2658462 ANMIGSQFSLEJSF-UHFFFAOYSA-N 364.401 3.536 0 40 FHAB Cc1cc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2Cl)c(C)o1 2619251 GPOHXGIHEYQVBA-UHFFFAOYSA-N 370.232 3.719 0 40 FHAB Cc1ccc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3C)CC2)c(C)c1 644586 SVEQGQCNXLOOFC-UHFFFAOYSA-N 372.534 3.740 0 40 FHAB CCOc1ccc(CC(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1OCC 674872 CZMSHZHNYVXQBL-UHFFFAOYSA-N 370.449 3.648 0 40 FHAB C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1 59477991 YOGLDSQRRRSAPG-GDBMZVCRSA-N 356.853 3.613 0 40 FHAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c1 54500408 KMLXRJBJPMGLHP-OLZOCXBDSA-N 364.829 3.684 0 40 FHAB O=C(NCc1cccnc1-n1cccn1)c1ccc2[nH]c3c(c2c1)CCCC3 24642609 SREGBRVOJUNNRD-UHFFFAOYSA-N 371.444 3.557 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)Nc2cccc(COCc3ccco3)c2)on1 56188637 WMVFGZJTFPNHLU-CQSZACIVSA-N 355.394 3.732 0 40 FHAB CC(=O)Nc1cccc(-n2c(C)nnc2SCc2cccc(F)c2)c1 12544970 ZDWQHJFFVMXPDE-UHFFFAOYSA-N 356.426 3.966 0 40 FHAB C[C@H]1CCc2ccccc2N1CC(=O)N1c2ccccc2NC(=O)C1(C)C 7619020 NHJFBTLDSKVQRC-HNNXBMFYSA-N 363.461 3.592 0 40 FHAB COc1ccc(-c2csc(NC(=O)COC(=O)c3ccccc3)n2)cc1 3271871 CPGHNSRDMAUVPC-UHFFFAOYSA-N 368.414 3.614 0 40 FHAB O=C(Nc1ccc(NC(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1)c1ccco1 58162482 DAUFPOOIZDBSLQ-DLBZAZTESA-N 369.421 3.707 0 40 FHAB Cc1oc(-c2cccs2)nc1C(=O)Nc1ccn(Cc2ccccn2)n1 58168333 DHNAMGRBKQDGFS-UHFFFAOYSA-N 365.418 3.604 0 40 FHAB CSc1nnc(Cn2cnc3cc(-c4ccccc4)sc3c2=O)s1 58280454 CZYALWBIFSISHT-UHFFFAOYSA-N 372.500 3.747 0 40 FHAB CSc1ccc(-c2csc(NC(=O)c3ccc4nncn4c3)n2)cc1 58222955 OUICJBMZZVCTFB-UHFFFAOYSA-N 367.459 3.827 0 40 FHAB COc1cc(CCC(=O)Nc2cccc3ncccc23)cc(OC)c1OC 7757898 YYYSCWBIPJIXJS-UHFFFAOYSA-N 366.417 3.832 0 40 FHAB Cc1noc(C)c1[C@H]1SCC(O)=Nc2c1c(C)nn2-c1ccccn1 44919908 FILDBMBPRDVQEQ-MRXNPFEDSA-N 355.423 3.605 0 40 FHAB CN(C(=O)c1ccc2c(O)[nH]c(=S)nc2c1)[C@H]1CCc2ccccc21 58434334 OJGVURDWRJIPGW-INIZCTEOSA-N 351.431 3.757 0 40 FHAB Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2Cl)c(C)c1 3367971 VLJNEORCAFLPQK-UHFFFAOYSA-N 373.869 3.663 0 40 FHAB O=C(NC1CCCCC1)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 48354869 HARISSFLOALYJE-LJQANCHMSA-N 351.450 3.998 0 40 FHAB O=C(Nc1ccccc1)c1cccc(CSc2nc3ncccn3n2)c1 48356022 LZXCXJKDMIEBCV-UHFFFAOYSA-N 361.430 3.669 0 40 FHAB O=C(CSc1ncc(C(F)(F)F)cc1Cl)Nc1nccs1 3444215 ATRMZAQCUKJBGQ-UHFFFAOYSA-N 353.778 3.941 0 40 FHAB CC(=O)c1ccc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)s1 12945072 SMPKBZXXZSNDHM-UHFFFAOYSA-N 368.414 3.726 0 40 FHAB O=C(Nc1cccc(F)c1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12976435 NLKISGWIESMRAY-NAVXVDNBSA-N 370.468 3.972 0 40 FHAB CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3F)cc2)NC1=S 3662895 QHRSIWKQHBMEMM-PDGQHHTCSA-N 370.449 3.872 0 40 FHAB COc1ccc([C@@H]2C[C@H](c3cccc(Cl)c3)n3nc(N)nc3N2)cc1 13132259 AZJUETRGZAYPMI-JKSUJKDBSA-N 355.829 3.669 0 40 FHAB CS[C@@H](C)C(=O)N1CCc2[nH]c3c(Br)cccc3c2C1 49318189 AKFOCWPYAWODRM-VIFPVBQESA-N 353.285 3.567 0 40 FHAB CC(C)n1ncc2c(C(=O)NC[C@H]3CCCO3)cc(-c3ccccc3)nc21 8133477 HBNBASZRCVERCA-MRXNPFEDSA-N 364.449 3.588 0 40 FHAB Cc1cccc(Nn2c(N)nn(CC(=O)c3ccc(C)cc3C)c2=S)c1 28535267 KOPUASVTMOEZBB-UHFFFAOYSA-N 367.478 3.680 0 40 FHAB C[C@@H](C(=O)N[C@H](C)c1ccccc1)n1c(S)nnc1-c1cccs1 69483703 BKMILDASGXNBOC-NEPJUHHUSA-N 358.492 3.734 0 40 FHAB Cc1cccc(C)c1NC(=O)Cn1cnc2c(sc3ccccc32)c1=O 17135788 ZDAIIIVHIBFTBV-UHFFFAOYSA-N 363.442 3.867 0 40 FHAB COc1ccc([C@@H]2NC(=O)c3c(sc4c3CC[C@@H](C)C4)N2)c(OC)c1 4525603 DFGHCXKBBXMIGR-BMLIUANNSA-N 358.463 3.744 0 40 FHAB COc1cccc(-c2noc(CCCC(=O)Nc3ccc(F)cc3)n2)c1 21168610 HIOPWRLLQKHADK-UHFFFAOYSA-N 355.369 3.846 0 40 FHAB COc1ccc(C2=NO[C@H](COC(=O)c3ccc4ccccc4n3)C2)cc1 5577905 GQAHKIATSJSBMD-KRWDZBQOSA-N 362.385 3.593 0 40 FHAB CCC[C@]1(c2ccccc2)NC(=O)N(CCOc2ccc(Cl)cc2)C1=O 6627409 LAJMPXOEYYSKDZ-HXUWFJFHSA-N 372.852 3.966 0 40 FHAB CC(C)c1ccc(CNc2ccc(N3CCOCC3)c(C(=O)O)c2)cc1 4703572 ZEFNTWWPAQQFKY-UHFFFAOYSA-N 354.450 3.957 0 40 FHAB COc1ccc(-n2c(SC(C(C)=O)C(C)=O)nc3ccccc32)cc1 4865128 LQLMZGXLTRWHOL-UHFFFAOYSA-N 354.431 3.673 0 40 FHAB O=C(NCc1ccc(F)cc1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 67013448 ZDIHTYWFJOQGDS-KRWDZBQOSA-N 366.795 3.901 0 40 FHAB CSc1ccc(CN(C)C(=O)c2ccc(C(F)(F)F)nc2O)cc1 25008796 ROLZQTGQTDMBKC-UHFFFAOYSA-N 356.369 3.800 0 40 FHAB Cc1cc(C(=O)COc2ncnc3ccccc23)c(C)n1CC(F)(F)F 7061814 SMSPOKAKTWKASG-UHFFFAOYSA-N 363.339 3.872 0 40 FHAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)c(OC)c1 7113209 RLQNOPNKIJOAAV-INIZCTEOSA-N 366.339 3.833 0 40 FHAB Cc1cc(Br)ccc1NCC(=O)Nc1ccc2c(c1)OCO2 9322078 LDSPITYTYPHDMY-UHFFFAOYSA-N 363.211 3.537 0 40 FHAB CCc1nnc(CSc2nnc(NCc3ccc(F)cc3)s2)o1 9454786 DEGIUTCKFIRDNJ-UHFFFAOYSA-N 351.432 3.527 0 40 FHAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(CCc1ccccc1)CO2 19890878 DNJFGNCTFBJZEH-UHFFFAOYSA-N 361.441 3.985 0 40 FHAB CCCC(=O)Nc1nc(-c2ccc3c(c2)N(CCC)C(=O)CO3)cs1 19820261 LGJZUHBBLSCLEU-UHFFFAOYSA-N 359.451 3.684 0 40 FHAB Cc1nnc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)s1 19816314 PUJYRTFYBKTCFT-UHFFFAOYSA-N 363.830 3.511 0 40 FHAB COc1ccc(CNC(=O)c2nc(-c3ccccc3)oc2C)cc1OC 9722247 KPVOMCYGLBSWQD-UHFFFAOYSA-N 352.390 3.597 0 40 FHAB C[C@H](NC(=O)c1csc2c1CCCC2)c1ccc(S(C)(=O)=O)cc1 9836555 MKZMCSQVDKWIAV-LBPRGKRZSA-N 363.504 3.521 0 40 FHAB Cc1ccc(N(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C2CCCCC2)nc1 84191517 AZOXGTZYIRMFIY-GOSISDBHSA-N 369.509 3.704 0 40 FHAB CCn1ccc(-c2cc(NCCCOc3ccccc3C)nc(C)n2)n1 72373348 LDXSOKHRENJVSE-UHFFFAOYSA-N 351.454 3.858 0 40 FHAB Cc1ccc(-c2n[nH]cc2CNCc2cc(Cl)c3c(c2)OCCO3)o1 79917347 KRQPOQIVYSYPMG-UHFFFAOYSA-N 359.813 3.693 0 40 FHAB CC(C)(CC(=O)N1CCCc2ccc(S(C)(=O)=O)cc21)c1ccccc1 95393874 ZPMKREIHPWZXLT-UHFFFAOYSA-N 371.502 3.737 0 40 FHAB Cn1cccc1[C@H](O)CN[C@H](Cc1ccc(Cl)cc1)c1ccccn1 95454566 JVBWIINQDGOZEU-UYAOXDASSA-N 355.869 3.681 0 40 FHAB CCC(CC)n1nccc1C(=O)Nc1ccc(OCC(=O)O)c(Cl)c1 95464068 KNXVGKLGRSVNFP-UHFFFAOYSA-N 365.817 3.613 0 40 FHAB CC(C)n1c([C@@H]2CCCN(C(=O)C3C(C)(C)C3(C)C)C2)n[nH]c1=S 73585582 BFIUEDAVNIAXFY-GFCCVEGCSA-N 350.532 3.910 0 40 FHAB Cc1ccccc1COC1CCN(C(=O)C[C@@H](O)c2ccccc2)CC1 89355347 WWUZACKKKAKKNT-OAQYLSRUSA-N 353.462 3.626 0 40 FHAB CCOC(=O)N[C@@H](CNC(=O)c1occc1-c1ccccc1)CC(C)C 31699154 ZQMLLXQZVFHJLE-MRXNPFEDSA-N 358.438 3.837 0 40 FHAB CC(C)c1ccc(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1 408627511 NHOKQWLXJYFXAD-UHFFFAOYSA-N 374.506 3.995 0 40 FHAB O=C1[C@H]([C@H](O)c2ccc(Cl)cc2)C(C(F)(F)F)=NN1c1ccccc1 3849041 CDTSINXPPVQPJV-ZIAGYGMSSA-N 368.742 3.955 0 40 FHAB biogenic O=C(O)c1ccc(NC2CCCCC2)c(S(=O)(=O)Nc2ccccc2)c1 217503935 BHJSEZCXSOVLJH-UHFFFAOYSA-N 374.462 3.930 0 40 FHAB O=C(CSc1ccncc1)N1CCS[C@H](c2cccs2)CC1 219522755 ZFRGWYJAVRTUHZ-HNNXBMFYSA-N 350.534 3.942 0 40 FHAB COc1cc(CNC(C)(C)CC(C)(C)C)c(Cl)cc1OCC(N)=O 36612795 YMHCDLFLSDUZRQ-UHFFFAOYSA-N 356.894 3.517 0 40 FHAB CC1(C)CCN(CC(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)C1 566687648 NERSJDDMZNFBOF-UHFFFAOYSA-N 352.482 3.557 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 30056917 UYJMNWKDNAEJOE-NVXWUHKLSA-N 370.880 3.830 0 40 FHAB COCCn1c(SCC(=O)Nc2ccccc2SC)nc(C)c1C 32893926 IEINFKSSCAIISW-UHFFFAOYSA-N 365.524 3.599 0 40 FHAB CCc1ncc(CN2CCC[C@H]2c2n[nH]cc2-c2ccc(F)cc2)cn1 72380394 LEXPLXDKSBUJKA-SFHVURJKSA-N 351.429 3.905 0 40 FHAB Cc1nn(-c2ccc(C(=O)NCc3ccc(F)c(Cl)c3)cn2)c(C)c1C 62007264 FGBQXBWOJCDLFF-UHFFFAOYSA-N 372.831 3.915 0 40 FHAB O=C(CCCc1ccccc1)Nc1ccccc1C(=O)NCC(F)(F)F 40107387 PIEMDHOMHJTBAG-UHFFFAOYSA-N 364.367 3.940 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 42646668 QAEITBVBVORUPD-NOZJJQNGSA-N 362.779 3.992 0 40 FHAB Cc1cccc(OCCNC(=O)C2CCN(Cc3ccccc3C)CC2)c1 224526585 UIRDUCCMIRWOGD-UHFFFAOYSA-N 366.505 3.711 0 40 FHAB COc1ccc(NC(=O)NC[C@@H](c2cccs2)N(C)C)cc1Cl 43332285 QXVKCSYUILYRPQ-ZDUSSCGKSA-N 353.875 3.835 0 40 FHAB Cc1cccc(NC(=O)CCNC(=O)c2ccc3nc(Cl)oc3c2)c1 225979818 KIXHSZDEFJMXNV-UHFFFAOYSA-N 357.797 3.548 0 40 FHAB O=C(c1ccco1)N1CCC(C(=O)N2CCCCc3ccccc32)CC1 40133962 AGBDKTHZCVHUEQ-UHFFFAOYSA-N 352.434 3.501 0 40 FHAB CCOC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1C 224719437 DBAKFGLARKJPNI-UHFFFAOYSA-N 367.854 3.650 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)Nc1ccccc1N1CCCC1=O 40104215 ILRVLGHLUCNSMU-MRXNPFEDSA-N 351.450 3.956 0 40 FHAB CCOC(=O)c1cc(NC(=O)C2(OCC)CCCCCC2)ccc1OC 225830552 IEFUPBWQDDXUEN-UHFFFAOYSA-N 363.454 3.940 0 40 FHAB COC(=O)CNc1ccc(Oc2ncnc3sc4c(c23)CCCC4)cc1 96305876 VOIIADVRMNZLDL-UHFFFAOYSA-N 369.446 3.947 0 40 FHAB O=C(O)c1cc(Br)c(Br)cc1Br 96171735 FLQLTDFABYDBBV-UHFFFAOYSA-N 358.811 3.672 0 40 FHAB c1cc(CN2CCC[C@H]2c2nnn3cc(-c4ccncc4)ccc23)ccn1 96267886 APCLDXAWWVPWCO-IBGZPJMESA-N 356.433 3.523 0 40 FHAB CC[C@H](COC(=O)c1ccc(F)c(F)c1)NC(=O)c1ccc(F)c(F)c1 96319370 GAFVAACMJNHEND-GFCCVEGCSA-N 369.314 3.608 0 40 FHAB COc1cccc(-c2c3c(nn2CC2CC2)C[C@@H]2CN(CC4CC4)C[C@H]32)c1 96145675 HFNVZIDQUWQGAW-QUCCMNQESA-N 363.505 3.950 0 40 FHAB NC(=S)C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 98071647 URQBPQRQAPSGOQ-UHFFFAOYSA-N 366.486 3.934 0 40 FHAB COC[C@H]1CN(C(C)=O)CC12CCN(Cc1cccc3ccccc13)CC2 247954403 SAHMOHGPUZLZFD-OAQYLSRUSA-N 366.505 3.547 0 40 FHAB O=C(Cc1cccc(C(F)(F)F)c1)NCCn1cc(-c2ccccc2)cn1 253471989 HIKUVRHTTVBEMP-UHFFFAOYSA-N 373.378 3.928 0 40 FHAB C[C@@]12C[C@H](c3ccccc3)N(C(=O)c3ccccc3)[C@@H]1CCC[C@@H](O)[C@H]2O 257254546 KDORSINKRFSZQH-XARADAHVSA-N 365.473 3.554 0 40 FHAB O=C(Nc1cccc2c1OCC[C@H]2O)c1ccc(O[C@H]2CC2(F)F)cc1 529043830 QZEIOXRNZKSLKD-CVEARBPZSA-N 361.344 3.541 0 40 FHAB CC[C@@H](C)n1ncc(C(=O)N[C@H]2CCCc3nc(O)ccc32)c1C1CC1 270463704 FYUWJDRVWPWETF-PXAZEXFGSA-N 354.454 3.640 0 40 FHAB Cc1cn2c(n1)C[C@@H](C(=O)N(Cc1cccnc1)Cc1ccccc1C)CC2 624531197 JNLHQXFRQVZSLZ-FQEVSTJZSA-N 374.488 3.686 0 40 FHAB C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1ccc(F)c(S(C)(=O)=O)c1 1218042436 UFXUVUBIAGZSJA-FZMZJTMJSA-N 356.463 3.566 0 40 FHAB CO[C@](C)(CNC(=O)C1(c2ccccc2)CCOCC1)c1ccccc1F 96123509 FWMFVLDGFJMACZ-OAQYLSRUSA-N 371.452 3.552 0 40 FHAB CSc1ccc([C@@H](O)CNC(=O)c2ccc(OC(F)(F)F)cc2)cc1 96103157 SIOZWUQSJLPPLJ-HNNXBMFYSA-N 371.380 3.771 0 40 FHAB COC(=O)N(C)c1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 58414671 QMFQMXNVRYHGDQ-UHFFFAOYSA-N 364.405 3.702 0 40 FHAB O=C(O)c1ccc(CN[C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)cc1 666575999 KPLKSQLCLOXQSC-YPAWHYETSA-N 364.489 3.775 0 40 FHAB Cc1cc2nc3s/c(=C\c4c(C)[nH]c5ccccc45)c(=O)n3c2cc1C 832926 RIWDUGLUQXGDIM-GRSHGNNSSA-N 359.454 3.863 0 40 FHAB C[C@H]1CCc2sc3c(c2C1)c(=O)n(-c1ccc(Cl)cc1)c1nncn31 5100558 IUONVNHFJFIHJM-JTQLQIEISA-N 370.865 3.873 0 40 FHAB CCN(CC)c1ccc(N[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 5236029 VGKZSVLZPMJYLZ-IBGZPJMESA-N 356.422 3.831 0 40 FHAB CC1CCN(CCCNC(=O)CCCOc2ccc(Cl)cc2)CC1 13675804 XFJWPRHLPGKLMF-UHFFFAOYSA-N 352.906 3.737 0 40 FHAB CSc1nnc(S[C@H](C(=O)N2CCCC2)c2ccccc2)s1 14136232 RBFZXEYSCSRTLQ-LBPRGKRZSA-N 351.522 3.716 0 40 FHAB COc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)c(OC)c1 16147548 CHRZARDGDSMJIV-UHFFFAOYSA-N 362.234 3.811 0 40 FHAB O=c1cc([C@@H]2CCCCN2Cc2cccc(F)c2)nc(-c2ccncc2)[nH]1 19293848 CEIDXQZAGKXONY-IBGZPJMESA-N 364.424 3.698 0 40 FHAB CCn1cc(-c2cc(C(=O)N[C@H](C)CCc3ccc(F)cc3)on2)c(C)n1 19524698 AYHUTEMVPUZJCD-CYBMUJFWSA-N 370.428 3.757 0 40 FHAB CC[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(-c2cnn(CC)c2)on1 19719260 IQUJVGUDRHGKKQ-KRWDZBQOSA-N 356.401 3.920 0 40 FHAB COc1cccc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)c1 1509547 GSRRAYFVZKYGCU-GDNBJRDFSA-N 358.191 3.802 0 40 FHAB CC(C)C(=O)NC(=S)Nc1cc(Cl)ccc1-c1ccc(C(=O)O)o1 226350478 JDMCNCWXLNRQGF-UHFFFAOYSA-N 366.826 3.767 0 40 FHAB Cc1cc(C(=O)O[C@H](C)c2nc3ccccc3c(=O)[nH]2)c(C)n1C1CC1 7140391 FTCRWNCVNGXCIP-CYBMUJFWSA-N 351.406 3.594 0 40 FHAB Cc1cc(C(=O)O)ccc1NS(=O)(=O)c1cc(Cl)sc1Cl 14097361 MVMCTQUZSWMRKR-UHFFFAOYSA-N 366.247 3.862 0 40 FHAB c1cc2cc(c1)CN(C1CCOCC1)CCOCCOc1ccccc1C2 2037901729 YCZAPHKWGNFSDZ-UHFFFAOYSA-N 367.489 3.667 0 40 FHAB COc1ccc(C(=O)N2CCN=C2SCc2ccccc2C)c(OC)c1 4120010 FOCXQKFXFWTFMS-UHFFFAOYSA-N 370.474 3.757 0 40 FHAB Cc1ccc2oc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2n1 8798478 MLDHEWDDGQEVAZ-UHFFFAOYSA-N 355.825 3.752 0 40 FHAB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)Cc2ccccc2)c1 11026010 DIUXRAUPIGVKAJ-UHFFFAOYSA-N 369.424 3.875 0 40 FHAB CCc1nc2sc([C@H](c3ccccc3)N3CCC[C@@H](C)C3)c(O)n2n1 16690024 HFWVDKOSMJAKCC-CJNGLKHVSA-N 356.495 3.880 0 40 FHAB COc1ccc(CCC(=O)N2CCC[C@H](COc3cccc(C)n3)C2)cc1 1775969444 RVTSGZLYNYOJND-IBGZPJMESA-N 368.477 3.649 0 40 FHAB Cc1ccccc1[C@@H]1CCN(S(=O)(=O)CCC(F)(F)F)CCS1 219307210 XNIIPBCJJQGEMY-AWEZNQCLSA-N 367.458 3.757 0 40 FHAB Cc1nsc(N2CCC(COc3cccc(C(F)(F)F)n3)CC2)n1 585532661 VFCSTYJDKMMGDP-UHFFFAOYSA-N 358.389 3.556 0 40 FHAB CC[C@@H](C)NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1CC 10681959 IMPOZKFZDQSXSF-GFCCVEGCSA-N 358.467 3.718 0 40 FHAB O=c1c2ccccc2nc(S)n1Cc1ccccc1CN1CCCCC1 36390412 XMUCDPOEGLVZQT-UHFFFAOYSA-N 365.502 3.719 0 40 FHAB Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1cnccn1 2385926 BTELSFJXELKLAV-UHFFFAOYSA-N 352.250 3.871 0 40 FHAB COC(=O)c1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1 11140813 PBTFRFANZLMQMK-UHFFFAOYSA-N 372.808 3.506 0 40 FHAB O=C1Nc2ccccc2C(=O)[C@]1(Cc1ccccc1)C(=O)c1ccccc1 3957932 FNTAZXXMBNVKBY-QHCPKHFHSA-N 355.393 3.933 0 40 FHAB Cc1cc(F)ccc1NC(=O)[C@H]1CCCN1c1ncnc2ccccc12 11249975 URHXNJXRSHCQTL-GOSISDBHSA-N 350.397 3.685 0 40 FHAB COc1ccc(F)cc1C(=O)COC(=O)CCc1ccc2ccccc2n1 11266738 JFDBSEXQTGGQIH-UHFFFAOYSA-N 367.376 3.741 0 40 FHAB O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1CNc1ccc(Cl)c(Cl)c1 6526278 VOPRBEDUOSXYRV-GHMZBOCLSA-N 359.640 3.881 0 40 FHAB CCc1n[nH]c(SCC(=O)N(C2CCCCC2)C2CCCCC2)n1 6674602 MSPWVBMPOZAPAL-UHFFFAOYSA-N 350.532 3.953 0 40 FHAB CCOC(=O)c1sc(NC(=O)Cc2cccc(C(F)(F)F)c2)nc1C 6851970 NKGDEKZPZHLVGM-UHFFFAOYSA-N 372.368 3.828 0 40 FHAB COc1ccc(C(=O)Nc2nn3cc(-c4ccccc4)nc3s2)cc1 7723868 IWOQDGXJCDZKOP-UHFFFAOYSA-N 350.403 3.719 0 40 FHAB COc1cc2ncn(Cc3ccc(Cl)cc3Cl)c(=O)c2cc1OC 20719248 MELLWJFNDIKQJL-UHFFFAOYSA-N 365.216 3.769 0 40 FHAB COc1ccc([C@H](c2c(O)c3ccccc3oc2=O)N2CCCC2)cc1 104241859 JFUKZLBHMRCTBW-LJQANCHMSA-N 351.402 3.692 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 20716770 CWHOCXRIPOKVIW-BEFAXECRSA-N 372.852 3.897 0 40 FHAB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)c2ccc(N3CCCC3=O)cc2)o1 29244246 VBHKQYMQWILWKJ-KBXCAEBGSA-N 352.434 3.802 0 40 FHAB COC(=O)c1cc(NC(=O)c2ccc(-c3ccco3)nc2C)c(F)cc1F 101811671 WSFBTEYIRFJQRR-UHFFFAOYSA-N 372.327 3.967 0 40 FHAB CC(C)(C)C1CCC2(CC1)NC(=O)N(Cc1cc(-c3ccco3)on1)C2=O 8327210 FEABMUBUJSEFEN-UHFFFAOYSA-N 371.437 3.962 0 40 FHAB CC(=O)Nc1cccc(C(=O)NCc2ccc(F)cc2C(F)(F)F)c1 32930156 LOJWSHHIEKJACW-UHFFFAOYSA-N 354.303 3.733 0 40 FHAB Cc1cc(S(=O)(=O)Nc2ccc(C(C)(C)C)cc2)sc1C(=O)O 32926329 JWJQRVHXGNKFIM-UHFFFAOYSA-N 353.465 3.853 0 40 FHAB CSc1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 12037878 SITFATOFAANCRB-UHFFFAOYSA-N 357.403 3.657 0 40 FHAB O=C(Nc1ccc(I)cc1)c1cccnc1Cl 2755966 BMINNOTWFDOGHZ-UHFFFAOYSA-N 358.566 3.592 0 40 FHAB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1cccc(F)c1 20437609 YJRIAVBTEXPUJX-UHFFFAOYSA-N 370.405 3.705 0 40 FHAB Cn1nc(-c2nnc(-c3ccc(OC(F)F)cc3)o2)cc1C(F)(F)F 2803151 SXCKCCJMYMYXPP-UHFFFAOYSA-N 360.242 3.757 0 40 FHAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(CN2CCOCC2)cc1 23990075 RAAISKRGQZIVQL-HNNXBMFYSA-N 374.868 3.578 0 40 FHAB CN(C(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1)c1ccccc1 3041253 RCNMKEBJGWSETF-UHFFFAOYSA-N 352.821 3.827 0 40 FHAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(F)cc1)O[C@H](C)C2 12564036 SYHMSXRPNDUBIF-OLZOCXBDSA-N 358.413 3.987 0 40 FHAB CCN(C(=O)c1ccccc1S(=O)(=O)CC)c1nc2ccccc2s1 26907831 IWAQXKQYZVCSFK-UHFFFAOYSA-N 374.487 3.757 0 40 FHAB Cc1ccc2oc(-c3ccc(C(C)(C)C)cc3)c(OCC(N)=O)c(=O)c2c1 1941888 KPCCXWMAXNSTQE-UHFFFAOYSA-N 365.429 3.930 0 40 FHAB Cc1ccc(NC(=O)C2CCN(Cc3ncc(C(C)(C)C)o3)CC2)nc1 58167663 YVDGXVHEQCGBND-UHFFFAOYSA-N 356.470 3.526 0 40 FHAB FC(F)(F)c1nnc2sc(-c3c[nH]nc3-c3ccc(Cl)cc3)nn12 61717746 PJTKJAJKTKTODW-UHFFFAOYSA-N 370.747 3.915 0 40 FHAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1coc(-c2ccc(F)cc2)n1 58426059 KSCCUNJJTXFQJL-JLSDUUJJSA-N 358.413 3.787 0 40 FHAB O=C1CN(C(=O)c2ccc(OCc3ccccc3)cc2)c2ccccc2N1 3329713 CESBBBDYZWNKDM-UHFFFAOYSA-N 358.397 3.865 0 40 FHAB CC(C)[C@H](NC(=O)NC[C@H]1COc2ccccc2O1)c1ccc(F)cc1 12765845 KKKPTWVQIDHCAF-LPHOPBHVSA-N 358.413 3.662 0 40 FHAB O=S(=O)(N[C@@H]1CCSc2c(F)cccc21)c1ccc(F)c(F)c1 12738142 ZCRSHLSRBBJXEM-CQSZACIVSA-N 359.394 3.619 0 40 FHAB CCC(=O)Nc1ccc(C)c(NC(=O)NC[C@H](C)Cn2nc(C)cc2C)c1 48256747 JLKCAQJQQVEXPW-ZDUSSCGKSA-N 371.485 3.615 0 40 FHAB Cc1cccc2nc(CN(C)Cc3ccc(C(F)(F)F)cc3)cc(=O)n12 7606833 NZJRZARMACNQIN-UHFFFAOYSA-N 361.367 3.654 0 40 FHAB CCOC(=O)c1c(NC(=O)CNC(C)C)sc(C)c1-c1ccccc1 3440575 TXOZLSGVKHIFTI-UHFFFAOYSA-N 360.479 3.837 0 40 FHAB O=C(CCc1ccc(F)cc1)O[C@@H](Cn1cncn1)c1ccc(Cl)cc1 62681344 VZECBGLWDSYKFP-SFHVURJKSA-N 373.815 3.988 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)c(Cl)n2C)cc1 12981830 BACJHDCVVPBUCN-SNVBAGLBSA-N 355.221 3.824 0 40 FHAB Cc1cc(Cl)ccc1NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 13071120 XHCXPOZMZIMQON-UHFFFAOYSA-N 355.825 3.846 0 40 FHAB Cc1ccc(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc1 113962330 OIRQCFHWIJMVLE-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB COCCN(C(=O)c1ccc2c(c1)COC2)c1nc2ccccc2s1 64387695 UDQKFDJGFGFJSK-UHFFFAOYSA-N 354.431 3.620 0 40 FHAB COc1cc(N[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc(OC)c1OC 5119085 TVTTYOOBJHJPPJ-NSHDSACASA-N 364.829 3.805 0 40 FHAB Cc1nc2ccc(N[C@H](C(=O)N3CCOCC3)c3ccccc3)cc2s1 8159834 CRVDKSQCTXKABF-IBGZPJMESA-N 367.474 3.617 0 40 FHAB O=C(NCCc1nnc2n1CCCCC2)c1ccc(-c2ccccc2)cc1 14115020 MEPYUBUGAPBCOB-UHFFFAOYSA-N 360.461 3.644 0 40 FHAB O=C(COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc[nH]1 4563722 DLLKNZBDDKKUDA-UHFFFAOYSA-N 371.396 3.907 0 40 FHAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@H]3CCCO3)cc12 6583231 SVBNIKCJEBTKMF-OAHLLOKOSA-N 373.453 3.502 0 40 FHAB CCCn1nc(C(=O)Nc2ccccc2OC(F)F)c2ccccc2c1=O 6560575 DJVMVXOOPCHRJE-UHFFFAOYSA-N 373.359 3.660 0 40 FHAB Cc1cc(C)c(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)c(C)c1 5732090 AZJGCHJUXGMPTQ-GOSISDBHSA-N 350.418 3.519 0 40 FHAB COc1cc(/C=C/C(=O)OCc2cc(=O)oc3cc(C)ccc23)ccc1O 4836103 ZDVSZBFNNMHWRX-VMPITWQZSA-N 366.369 3.572 0 40 FHAB NC(=O)c1cccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 8720280 MQZAHKNFNLUCPV-UHFFFAOYSA-N 358.463 3.634 0 40 FHAB O=C(Nc1n[nH]c(-c2ccccc2Br)n1)c1ccccc1F 9500171 PKCNSMUCFMMSJE-UHFFFAOYSA-N 361.174 3.626 0 40 FHAB O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc2ccccc2c1 8988375 CNPIQYOZWXGXPY-SFHVURJKSA-N 358.441 3.618 0 40 FHAB Cc1ccc2nc(-c3ccc(NC(=O)CN4CCOCC4)cc3)sc2c1 19221678 GMABKPFUPJYQRO-UHFFFAOYSA-N 367.474 3.542 0 40 FHAB COc1cccc(C(=O)COC(=O)c2ccccc2NCc2ccco2)c1 9023089 HZDDCPLAEBIMTE-UHFFFAOYSA-N 365.385 3.940 0 40 FHAB C[C@H](Sc1nc2ccccc2s1)C(=O)N1CC(=O)Nc2ccccc21 9049854 QKGJDJPSZXFMBM-NSHDSACASA-N 369.471 3.762 0 40 FHAB COc1ccccc1-c1nnc(NC(=O)COc2cccc(C)c2)s1 9012339 XUIHHWNHGHLOKH-UHFFFAOYSA-N 355.419 3.540 0 40 FHAB O=C1CSc2ccc(C(=O)Nc3ccc(N4CCCCC4)cc3)cc2N1 9125619 KTJATVHZKQGXBL-UHFFFAOYSA-N 367.474 3.973 0 40 FHAB CCn1c(C)cc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)c1C 83836785 JSMWJNNYJLPUEK-FQEVSTJZSA-N 354.450 3.777 0 40 FHAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)N3CCCCCC3)n2C)cc1 9450296 IFFIEJHTGZFPPV-HNNXBMFYSA-N 358.511 3.674 0 40 FHAB COc1ccc(C(=O)Nc2nnc(-c3ccc(OC)c(F)c3)s2)cc1 96346737 MIGCGOBMZZJAGT-UHFFFAOYSA-N 359.382 3.614 0 40 FHAB Cc1c(C(=O)N[C@H]2CCCCC[C@H]2CO)cnn1-c1ccccc1Cl 89545017 NGPSJEDNLKXWLH-YOEHRIQHSA-N 361.873 3.505 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc(N)c3ccsc3n2)c1 9833678 ZEERBMZEMBPLOF-SNVBAGLBSA-N 372.475 3.595 0 40 FHAB Cc1ccccc1[C@@H]1CCCN1C(=O)C[C@@H](NC(N)=O)c1ccccc1C 84235460 VKCDSIUGIYPOCJ-UXHICEINSA-N 365.477 3.767 0 40 FHAB CCOCCOc1ccccc1C(=O)Nc1c(C)cnn1-c1ccccc1 84563762 WLGPALCYFJYCSA-UHFFFAOYSA-N 365.433 3.848 0 40 FHAB O=C(NCc1ccnc(OC2CCCC2)c1)c1cc(Cl)c2c(c1)OCO2 84613387 TVIMKDJEYBLLMH-UHFFFAOYSA-N 374.824 3.715 0 40 FHAB C[C@@H]1Cc2ccc(Br)cc2[C@@H]1NCCCOC[C@@H]1CCOC1 95451030 INOYTRZJPUSKDE-QWQRMKEZSA-N 368.315 3.715 0 40 FHAB CC[C@@H](C)NC(=O)c1ccc(Oc2nccnc2N2CCCCC2)cc1 67323935 AOMIEJUPNKLGQJ-OAHLLOKOSA-N 354.454 3.788 0 40 FHAB CN(C)[C@H](CNC(=O)c1csc(-c2cccs2)n1)c1ccsc1 25331108 BCPNXNYLJLHVMH-CYBMUJFWSA-N 363.533 3.966 0 40 FHAB C[C@@H]1CN(Cc2cc(Cl)cc3c2OCOC3)c2ccccc2NC1=O 95962835 FQPSUYSKBKVOJR-GFCCVEGCSA-N 358.825 3.801 0 40 FHAB COc1ccc(C2(C(=O)Nc3ccc(C)nc3O)CCCC2)cc1OC 543510814 MAOPLUMPAXUCJR-UHFFFAOYSA-N 356.422 3.563 0 40 FHAB CC(C)Oc1ccc(N2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C)CC2=O)cc1 408708568 QNPWUQHJBQGSHD-FRQCXROJSA-N 358.482 3.522 0 40 FHAB Cc1c(F)cccc1NC(=O)[C@@H]1CSCN1C(=O)OCc1ccccc1 408737277 NCDOBGHPNIKNPQ-KRWDZBQOSA-N 374.437 3.784 0 40 FHAB COc1ccc(C(=O)c2cccc(I)c2)cc1F 35423908 ZKDRDVSZAPMHSM-UHFFFAOYSA-N 356.134 3.670 0 40 FHAB Nc1c(Br)cc(Br)cc1[C@@H](O)c1ccccc1 3844648 BUXVZCBXSNAASC-ZDUSSCGKSA-N 357.045 3.876 0 40 FHAB biogenic O=C(Nc1cc(F)ccc1F)c1nc2ccccc2nc1N1CCCC1 32642870 NNAPZWZAUDUEOU-UHFFFAOYSA-N 354.360 3.761 0 40 FHAB CCOc1ccc(CNC(=O)[C@H](C)Oc2ccc(C)cc2)cc1OCC 218970707 LZLACYMHZHENDX-INIZCTEOSA-N 357.450 3.876 0 40 FHAB COc1cccc(CC(=O)NCc2ccccc2CN2CCC[C@H](C)C2)c1 36394288 UIKUOPRCBZAIJO-SFHVURJKSA-N 366.505 3.786 0 40 FHAB CC(=O)N(Cc1cc2ccc(C)c(C)c2n2nnnc12)C1CCCCC1 35312835 PDYDWAYMRYCCCB-UHFFFAOYSA-N 351.454 3.576 0 40 FHAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCN1CCCCC1 30752776 NQGUWQQWSKTMPG-OAQYLSRUSA-N 354.494 3.989 0 40 FHAB Cc1ccc(C)c2sc(N(C)CC(=O)NCCc3cccs3)nc12 70973986 LRJSJFZZBBSTBT-UHFFFAOYSA-N 359.520 3.770 0 40 FHAB CCN(Cc1ccc(Br)s1)C(=O)c1cc(OC)ccc1O 32721780 VSVIKQOLEHJAOU-UHFFFAOYSA-N 370.268 3.887 0 40 FHAB O=S(=O)(NC[C@H](c1ccsc1)c1ccco1)c1c(F)cccc1F 675007653 DHKLFPVRHJWLPN-GFCCVEGCSA-N 369.414 3.730 0 40 FHAB Cc1nc(NC2CCCCC2)sc1C(=O)NCCCN1CCCCC1 71326746 XQERBCSMPHWQOK-UHFFFAOYSA-N 364.559 3.802 0 40 FHAB O=C(CCc1ccc(F)cc1)NCc1nc(-c2ccc(Cl)cc2)no1 222693242 IHHINLXZXHXZNY-UHFFFAOYSA-N 359.788 3.778 0 40 FHAB Cc1ccc(OCC(=O)Nc2c(C)cc(N)cc2Br)c(C)c1 227145191 QSPAFLSEROPPFX-UHFFFAOYSA-N 363.255 3.974 0 40 FHAB Cc1ccc(S(=O)(=O)NCc2nc(-c3ccc(C(C)C)cc3)no2)cc1 223579746 QXQHMTBHGZLUOH-UHFFFAOYSA-N 371.462 3.647 0 40 FHAB COc1ccccc1CNC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 225313564 KXDKQNLFQIYGAP-UHFFFAOYSA-N 369.490 3.617 0 40 FHAB COc1ccc(NC(=S)N[C@@H](C)COc2ccccc2)c2cccnc12 225784810 ATSFYIGPCCKARO-AWEZNQCLSA-N 367.474 3.997 0 40 FHAB Cc1cccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 223745098 NZSICJNQKFILKH-UHFFFAOYSA-N 359.491 3.919 0 40 FHAB COc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cn1 225676690 KUUJUECJSYIHOB-HNNXBMFYSA-N 357.479 3.987 0 40 FHAB CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224805010 PIAFKLJZEJZLSC-UHFFFAOYSA-N 369.870 3.881 0 40 FHAB O=C(COc1ccc2c(c1)CCCC2)NCCOc1ccccc1Cl 223253179 ROOYPWVQRXIITC-UHFFFAOYSA-N 359.853 3.793 0 40 FHAB O=C(COc1ccc(Br)cc1)NCCSC1CCCC1 48449237 TWOAMZHYOZWZHA-UHFFFAOYSA-N 358.301 3.620 0 40 FHAB Cc1cccc(NC(=S)N2CCN(Cc3cccc(O)c3)CC2)c1C 225220921 CFEFZVNIQLGSFR-UHFFFAOYSA-N 355.507 3.524 0 40 FHAB O=C(CCCNC(=O)c1c(F)cccc1F)Nc1cccc2cccnc12 49030688 OSZUZUKRYSNPEJ-UHFFFAOYSA-N 369.371 3.662 0 40 FHAB Cc1cc(C)cc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)c1 225476578 HSDNJPHBRZRCBN-LJQANCHMSA-N 366.505 3.788 0 40 FHAB CCN1CCN(c2ccc(N)cc2NC(=O)c2ccc(C)cc2Cl)CC1 226259372 XPQVWPZMVHQRDT-UHFFFAOYSA-N 372.900 3.625 0 40 FHAB O=C(NCc1nccc(N2CCCC2)n1)C(c1ccccc1)c1ccccc1 224151944 OUPZBGWOWUOMBW-UHFFFAOYSA-N 372.472 3.525 0 40 FHAB COC(=O)c1cn(C(=O)[C@H](C)Oc2ccccc2OC)c2ccccc12 222626275 DRNQPGKDKWLJPQ-ZDUSSCGKSA-N 353.374 3.544 0 40 FHAB O=C1[C@@H]2C[C@@H](CN2Cc2ccc(F)cc2)Oc2ccccc2N1CC1CC1 96111805 YAVWNFORHYEVRC-ICSRJNTNSA-N 366.436 3.604 0 40 FHAB biogenic,in-vitro O=C(NCc1cccs1)[C@@H]1C[C@]12CCN(C(=O)c1ccc(Cl)cc1)C2 96227660 SDAYMWRXZNYEKD-LPHOPBHVSA-N 374.893 3.570 0 40 FHAB O=C(c1cncs1)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257204778 AWGJWNZFZSAQPY-HNNXBMFYSA-N 357.410 3.838 0 40 FHAB Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(Cc3nccs3)C2)n1 257213036 CFXQDHRWVKYRLN-HNNXBMFYSA-N 354.479 3.875 0 40 FHAB C[C@@H](NC(=O)NC[C@@H]1CCOC1(C)C)c1ccc(OC(F)(F)F)cc1 660320399 DMEXYBDQWSSBDU-YPMHNXCESA-N 360.376 3.761 0 40 FHAB O=C(CCN1CCC[C@H](NCc2ccccc2)C1)Nc1ccccc1Cl 84539308 RNBGUSIGUDCJLR-SFHVURJKSA-N 371.912 3.923 0 40 FHAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)CN2CCCCC2)N1c1cccc(F)c1 1615156205 KPEWFKKLTDROBR-PMACEKPBSA-N 373.516 3.660 0 40 FHAB C[C@H]1CN(C(=O)Nc2ccccc2OCCc2ccccc2)C[C@]1(C)CO 1616044355 OMNHERACDLQOAL-HTAPYJJXSA-N 368.477 3.790 0 40 FHAB CO[C@@H]1OC[C@H]2OC3(CCCCC3)O[C@@H]2[C@@H]1SCc1ccccc1 5048034 WQVNBEOWEQNGAD-VSZNYVQBSA-N 350.480 3.736 0 40 FHAB CC(=O)Nc1cccc(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c1 5989687 QMHLFMNVUXHVNI-UHFFFAOYSA-N 355.434 3.587 0 40 FHAB CCSc1nnc(NC(=O)c2cc(Br)cs2)s1 11690090 ZJXDORNPTZMYSG-UHFFFAOYSA-N 350.288 3.726 0 40 FHAB O=C(C[C@@H]1NC(=O)c2ccccc21)NC1(c2ccc(F)cc2)CCCC1 12143122 SIVOARYKWBODKE-SFHVURJKSA-N 352.409 3.586 0 40 FHAB C[C@H]1Sc2ccc(C(=O)Nc3ccccc3OC(F)F)cc2NC1=O 12824185 AKQLOHBXTFLUJR-SECBINFHSA-N 364.373 3.973 0 40 FHAB C[C@H]1C[C@H](C)CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)C1 12987267 QHIWXOMSBLSURV-BBTUJRGHSA-N 364.489 3.532 0 40 FHAB CCOc1ccccc1CCCNS(=O)(=O)c1ccc(Cl)cc1 13673745 SBSPHSKMBZYXKN-UHFFFAOYSA-N 353.871 3.650 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1 14796198 BPWLORCWFZXEKY-CYBMUJFWSA-N 360.841 3.886 0 40 FHAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCOc1ccc2ccccc2c1 16142164 LGVBYAAGKHYTPE-UXBLZVDNSA-N 361.397 3.777 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](c3cc4ncccc4[nH]3)C2)cc1F 19214519 VXCPYXURRMTGET-AWEZNQCLSA-N 373.453 3.579 0 40 FHAB CCC(CC)C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1OC 19500262 MXMDNVCSDWZFFB-GOSISDBHSA-N 355.482 3.870 0 40 FHAB CC(C)C(=O)N1CCC(CC(=O)Nc2ccccc2CN2CCCC2)CC1 19748182 OGXZFZYKOXFIMD-UHFFFAOYSA-N 371.525 3.506 0 40 FHAB O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1cccc2ccccc12 19982963 UOQWVLLRJDEFFL-UHFFFAOYSA-N 366.804 3.857 0 40 FHAB CC(=O)N[C@@H](CC(=O)N[C@H](C)c1ccc(Cl)cc1)c1cccs1 10087303 HZKJRGYMTQGWGN-ABAIWWIYSA-N 350.871 3.846 0 40 FHAB CCOCc1ccc(CNC(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1 30862837 PGVLEIURBHZIOL-UHFFFAOYSA-N 350.418 3.512 0 40 FHAB CCOc1ccc(N2C[C@H](NC(=O)c3ccc4ccccc4c3)CC2=O)cc1 4497257 RCKMSQIIFCRVKD-LJQANCHMSA-N 374.440 3.774 0 40 FHAB O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCc1ccncc1 16850326 XEGHVDGUSDZNFN-UHFFFAOYSA-N 358.854 3.794 0 40 FHAB CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CCN(C(C)C)C2 4086907 QETVTDAFOLFFSP-UHFFFAOYSA-N 362.451 3.537 0 40 FHAB Cc1cc2ccccc2n1CC(=O)NCc1coc(-c2cccs2)n1 10881241 DULASBYLMKHEPZ-UHFFFAOYSA-N 351.431 3.983 0 40 FHAB COc1ccc(-c2nc3ccc(C)cn3c2NC[C@@H]2CCCO2)c(OC)c1 883975 RHQLFKZLSWGKHK-INIZCTEOSA-N 367.449 3.918 0 40 FHAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)cc2)n1C 899418 OYBRJDDFYIWXJW-UHFFFAOYSA-N 368.462 3.530 0 40 FHAB COC(=O)c1ccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 16005064 YQZBPXAXZCLAMV-UHFFFAOYSA-N 355.724 3.980 0 40 FHAB O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)Nc1ccccc1 1329962 ODCJAZRVQXWGBM-KRWDZBQOSA-N 357.841 3.653 0 40 FHAB Cc1ccc(N2C(=O)C[C@@H](Cc3ccc(Br)cc3)C2=O)cc1 100554911 FJJFPRGPYXMBDS-CQSZACIVSA-N 358.235 3.880 0 40 FHAB COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cccc(Cl)c1Cl 2405194 YONSKNAFWRWYRG-AWEZNQCLSA-N 367.232 3.899 0 40 FHAB Cc1cc(NC(=O)COC(=O)c2ccc(F)cc2)ccc1Br 3510820 RDGBVVIBHNFMLG-UHFFFAOYSA-N 366.186 3.692 0 40 FHAB COc1ccc(NC(=O)N2CCC[C@@H](C(=O)NCC3CCCCC3)C2)cc1 4965713 FRVSMLHEMZEPOK-QGZVFWFLSA-N 373.497 3.636 0 40 FHAB CN(C)CCN(C(=O)c1c(F)cccc1F)c1nc2ccccc2s1 4968542 RNFCGHRAIWJJNL-UHFFFAOYSA-N 361.417 3.783 0 40 FHAB CCN(CC)C(=O)[C@H](Sc1nncn1-c1ccccc1)c1ccccc1 6974920 SYPSMQAIJORSMD-GOSISDBHSA-N 366.490 3.969 0 40 FHAB O=C(NCc1cccnc1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 7499651 WUOFHXLZSMLYMX-UHFFFAOYSA-N 373.387 3.640 0 40 FHAB COc1cccc(NC(=O)CSc2nc(-c3ccc(C)cc3)no2)c1 7604950 WUJDUBYWGYIYMP-UHFFFAOYSA-N 355.419 3.784 0 40 FHAB Cc1cccc(Nc2ccccc2C(=O)NCCNC(=O)C(C)C)c1C 36656286 QGOTXSLABPUIOX-UHFFFAOYSA-N 353.466 3.549 0 40 FHAB Cc1cc(CSc2nc(-c3ccccc3Br)n[nH]2)on1 32387396 OHCPGAPQLMDIAX-UHFFFAOYSA-N 351.229 3.823 0 40 FHAB Cc1ccc(OCCN(C)C(=O)COCc2nc3ccccc3s2)cc1 36877750 DICCBUWEJVGGDP-UHFFFAOYSA-N 370.474 3.659 0 40 FHAB Cc1c(Cl)cnc(NC(=O)CSc2nccn2C2CC2)c1Cl 11892624 YJOCJZVVEUEBLW-UHFFFAOYSA-N 357.266 3.959 0 40 FHAB O=C(Nc1ccc(F)cc1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 2639756 XANXLSLWXLNZRI-SFHVURJKSA-N 364.376 3.625 0 40 FHAB CCC[C@H](C)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 667197 ZIAZYURDKOVDQR-VBKZILBWSA-N 372.490 3.972 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cc1c[nH]c2ccccc12 7823675 MMDMIIWHYVJOIG-UHFFFAOYSA-N 372.472 3.888 0 40 FHAB CC[C@@]1(c2ccccc2)NC(=S)N(c2ccc(Br)cc2)N1 720269 TUXSFBKCKQFFKI-MRXNPFEDSA-N 362.296 3.911 0 40 FHAB COc1ccc(N[C@@H](NC(=O)c2cccnc2)C(Cl)(Cl)Cl)cc1 808607 RNAJHUVHXWGWQR-AWEZNQCLSA-N 374.655 3.628 0 40 FHAB CCCc1nnc(S)n1CC(=O)N(C)C1CCC(c2ccccc2)CC1 54141458 RRRJLSZDUUSIRR-UHFFFAOYSA-N 372.538 3.704 0 40 FHAB CCN(CC)CCC(=O)Nc1sc(-c2ccccc2)cc1C(=O)OC 948835 YBGSFYQIXYFYPH-UHFFFAOYSA-N 360.479 3.872 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)cc1 950126 BAGOHFKBOZZCOQ-UHFFFAOYSA-N 369.446 3.924 0 40 FHAB CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 57792444 SJZIMFGJJNPJGK-UHFFFAOYSA-N 360.392 3.645 0 40 FHAB Cc1ccc([C@@H](NC(=O)CN2CCSC2=O)c2ccccc2)cc1C 25030330 JTXQEYUCNBSHHC-IBGZPJMESA-N 354.475 3.678 0 40 FHAB O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)cc1)N1CCOCC1 1406450 XOCAHSRUDVQTSQ-RMKNXTFCSA-N 357.837 3.791 0 40 FHAB O=Cc1ccc(OCc2cc(=O)n3c(-c4ccccc4)csc3n2)cc1 3280246 BNEOWRKEYSUTNH-UHFFFAOYSA-N 362.410 3.815 0 40 FHAB COc1ccccc1OCCNC(=O)N[C@@H](C)c1cc2ccccc2o1 10037128 ONCLCRGSARAVKT-AWEZNQCLSA-N 354.406 3.881 0 40 FHAB CN(Cc1nc2ccccc2s1)C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 10078594 WWPBSHIFCMDQRB-CYBMUJFWSA-N 369.421 3.520 0 40 FHAB CCc1nc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)sc1C 44701696 RGXLBQOEGMUEND-UHFFFAOYSA-N 356.451 3.557 0 40 FHAB Cc1cc(Cl)ccc1OCC(=O)Nc1ncc(Br)s1 3226297 UXGQHBWBZYTGSZ-UHFFFAOYSA-N 361.648 3.885 0 40 FHAB Cc1ccc(S(=O)(=O)NCCCCCC(=O)Nc2ccccc2C)cc1 2184255 KWHOHSZJKVSTDI-UHFFFAOYSA-N 374.506 3.781 0 40 FHAB CCOc1ccccc1NC(=S)NC(=O)/C=C/c1ccccc1OC 2137208 AIZUTRGNOYPHSH-OUKQBFOZSA-N 356.447 3.620 0 40 FHAB CCOC(=O)c1c(/C=C/C(=O)Nc2ncc(C)s2)c(C)n(CC)c1C 10442661 YBTPYOONPAUFJQ-CMDGGOBGSA-N 361.467 3.718 0 40 FHAB Cc1cc(C)cc(OCCN(C)Cc2cc(=O)oc3c(C)c(O)ccc23)c1 12778176 FQXOHTCTHRTXKZ-UHFFFAOYSA-N 367.445 3.935 0 40 FHAB O=C(NCc1cccnc1OC1CCCC1)c1cc(Cl)c2c(c1)OCO2 48234879 NYXSNNGWSSKEDE-UHFFFAOYSA-N 374.824 3.715 0 40 FHAB COc1ccc2c(COC(=O)[C@@H]3Cc4ccccc4S3)cc(=O)oc2c1 12993990 GVHPFPOYOSLNQK-SFHVURJKSA-N 368.410 3.562 0 40 FHAB COc1ccc(Nc2nc(C(=O)N3C[C@@H](C)OCC3(C)C)cs2)cc1 91114932 GOHHGAMKCHUELB-GFCCVEGCSA-N 361.467 3.535 0 40 FHAB CCCn1c(SCC(=O)Nc2ccccc2)nc2ccccc2c1=O 8195351 SSGJJWXBPDPZKH-UHFFFAOYSA-N 353.447 3.537 0 40 FHAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 8160870 IRPBJUUSZSRFHC-APWZRJJASA-N 355.434 3.959 0 40 FHAB O=C1C[C@@H](c2ccc(Cl)cc2)CN1S(=O)(=O)c1ccc(Cl)cc1 13730650 KBFCOHDGPYUCFL-GFCCVEGCSA-N 370.257 3.698 0 40 FHAB Cc1ccc(-c2cc(NC(=O)CSc3nc(C(C)C)n[nH]3)on2)cc1 14134640 VBRJTSRTNWKVTC-UHFFFAOYSA-N 357.439 3.622 0 40 FHAB O=C(CSc1nnc(Nc2ccccc2)s1)NCc1ccccc1 6560134 OAJWYFYWKDNROF-UHFFFAOYSA-N 356.476 3.690 0 40 FHAB CSCc1nc2sc(C(=O)Nc3cccc(F)c3)c(C)c2c(=O)[nH]1 6651660 KNTWXENUTWXLSE-UHFFFAOYSA-N 363.439 3.547 0 40 FHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)N[C@@H]1CCCc4ccccc41)(C3)C2 17919400 UBQMRQYPUYUTFX-HWBROZDJSA-N 366.505 3.655 0 40 FHAB C[C@@H](Sc1nnc(-c2ccco2)o1)C(=O)NC12CC3CC(CC(C3)C1)C2 5944373 XTTVTUZEBDMXIS-UZNLNLPZSA-N 373.478 3.895 0 40 FHAB COc1cc(NC(=O)NCc2ccccc2Cl)ccc1N1CCCC1=O 69877905 IYFNUFJEVNSHFZ-UHFFFAOYSA-N 373.840 3.797 0 40 FHAB COC(=O)c1cc(CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)ccc1OC 18059417 LYMXSJYPZRXVIV-UHFFFAOYSA-N 366.417 3.510 0 40 FHAB COc1ccc(C)cc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 7475104 SIUCKESRKGAYGD-UHFFFAOYSA-N 370.493 3.665 0 40 FHAB CCn1c(SCC(=O)Nc2cccc3nsnc23)nc2ccccc21 19077525 YUJBAALSLWAFJQ-UHFFFAOYSA-N 369.475 3.792 0 40 FHAB CCOC(=O)c1ccc(Oc2c(-c3ccc(O)cc3O)n[nH]c2C)cc1 8996085 KNRHPCRSTBIAKA-UHFFFAOYSA-N 354.362 3.765 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)c3cc(F)ccc3F)o2)cc1 8993874 OYLXVSAZDBSFMZ-UHFFFAOYSA-N 362.357 3.998 0 40 FHAB COc1ccc(Nc2nc(NCc3ccccc3)nc3nccnc23)cc1 9074374 INSGMZXRBNCVKD-UHFFFAOYSA-N 358.405 3.784 0 40 FHAB CN1CCN(c2ccccc2NC(=O)c2cc3ccccc3s2)CC1 9322124 DIDCTDPQHZICIH-UHFFFAOYSA-N 351.475 3.905 0 40 FHAB C[C@H]1CCCC[C@@H]1NC1=NN=C(c2ccc3c(c2)OCCCO3)CS1 9417572 HFZOMEGIDCWBPE-ZFWWWQNUSA-N 359.495 3.823 0 40 FHAB CNc1cc(C(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)c2ccccc2n1 72289350 MNBAEJRUSIFJHD-YWZLYKJASA-N 361.445 3.879 0 40 FHAB O=C(CN(Cc1ccccc1)CC(F)F)Nc1ccc(OC(F)F)cc1 72308846 NFXQQMNXVYJHEZ-UHFFFAOYSA-N 370.346 3.994 0 40 FHAB O=C([C@H]1C[C@@H]1c1ccccc1)N1CCN(Cc2ccccc2Cl)CC1 27924406 JKHIEEJUWLBWRF-MOPGFXCFSA-N 354.881 3.788 0 40 FHAB Cn1ccnc1C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)cc1 95347422 YXCOMHZZHYXUPC-DLBZAZTESA-N 363.392 3.532 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)c1cn(C)c2ccccc12)c1ccccc1F 25468626 AAMAOBJFYJAISV-IBGZPJMESA-N 362.408 3.570 0 40 FHAB CCc1ccc(NC(=O)[C@H](C)OC(=O)C[C@H](C)c2c(C)n[nH]c2C)cc1 95444003 KNSRELBKVQUWPI-WFASDCNBSA-N 357.454 3.653 0 40 FHAB COc1ccc(-c2noc(CNC(=O)[C@H](C)Sc3ccccc3)n2)cc1 95481658 PMNHALSAZJZINU-ZDUSSCGKSA-N 369.446 3.542 0 40 FHAB O=C(Cc1ccc(F)cc1)NCCCn1nc(C(F)(F)F)cc1C1CC1 27933422 KZWRAYXBOXWNSI-UHFFFAOYSA-N 369.362 3.667 0 40 FHAB COc1ccc(SCC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1 30858351 VZFUECQFORJWEL-ZDUSSCGKSA-N 361.463 3.682 0 40 FHAB CC1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccccc1C(F)(F)F 71979930 UPRQJCHOZZPTTJ-WKXXDYOBSA-N 371.355 3.537 0 40 FHAB O=C(CC1(Cn2cccc2)CCCCC1)N1CC[C@]2(O)CCCC[C@@H]2C1 524733512 PUIGLWGXQPGCPF-DENIHFKCSA-N 358.526 3.982 0 40 FHAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 30867638 SABPNMJUZZHYGV-NUJGCVRESA-N 366.933 3.982 0 40 FHAB Cc1nc(-c2cncnc2[C@H]2CCCN(CCCc3ccccc3)C2)no1 72356142 TXPWXSDWKRSUOV-SFHVURJKSA-N 363.465 3.647 0 40 FHAB COc1ccc(-c2ccnc3nc(Nc4ccccc4)[nH]c(=O)c23)cc1OC 30904056 CAJWWPSCRGJAKP-UHFFFAOYSA-N 374.400 3.746 0 40 FHAB Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)CCCC(=O)O 32610120 AITPGTBZXAGHME-UHFFFAOYSA-N 367.808 3.534 0 40 FHAB Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)Nc1nnc(C(C)C)s1 1565525017 WVAAUXACRZJOCB-UHFFFAOYSA-N 359.430 3.680 0 40 FHAB O=C(Nc1cccc(Oc2cnccn2)c1)c1scnc1C(F)(F)F 561136632 MWYCMMBBEMKZST-UHFFFAOYSA-N 366.324 3.997 0 40 FHAB CC1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(C(C)(C)C)cc1 71979872 OPMTVTCOXHAGGX-XZSJUEPFSA-N 359.466 3.816 0 40 FHAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)c1 223520712 GSOPQTGUKFYHQS-IBGZPJMESA-N 367.489 3.935 0 40 FHAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1 225072170 JXRMPZVUAOAJOA-FQEVSTJZSA-N 352.478 3.563 0 40 FHAB COC(=O)c1cc(NC(=O)[C@@](C)(CC(C)C)OC)ccc1OC(C)C 225792465 WEAUYCVKNGLPDN-LJQANCHMSA-N 351.443 3.650 0 40 FHAB Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(CN2CCC(C)CC2)cc1 43268609 WDJAFFGSAZGBCZ-UHFFFAOYSA-N 368.525 3.840 0 40 FHAB CO[C@H](C(=O)Nc1cccc(CN2CCSCC2)c1)c1ccccc1 61285836 MHIRWXNEVKPKMP-IBGZPJMESA-N 356.491 3.562 0 40 FHAB COc1ccc(F)cc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1 224894125 YDYKMGFSBPTJMU-UHFFFAOYSA-N 365.304 3.534 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)COc2ccc3ccccc3c2)cc1 222834496 GOXGPDXTBRBLCN-INIZCTEOSA-N 365.429 3.811 0 40 FHAB COc1cccc(NC(=S)NCc2nc(-c3ccccc3C)no2)c1 225828339 WDHPFDNVOFEASJ-UHFFFAOYSA-N 354.435 3.540 0 40 FHAB Clc1cccc(CN2CCN(c3ccc(Br)cn3)CC2)c1 40088710 GALBRAFWHJYZRY-UHFFFAOYSA-N 366.690 3.820 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)NC12CC3CC(CC(C3)C1)C2 225838204 OGGBMDCYOKRTHT-UHFFFAOYSA-N 355.887 3.596 0 40 FHAB Cc1nc(-c2cccc(NC(=O)c3cc4c(cc3O)OCO4)c2)cs1 48280238 BJVZXNIULLLKAW-UHFFFAOYSA-N 354.387 3.805 0 40 FHAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C 224574332 HQSONQFRAWUFJV-RTBURBONSA-N 364.474 3.606 0 40 FHAB Cc1ccccc1N1C[C@]2(CCN(C(=O)Nc3ccc(F)cc3)C2)CC1=O 96238614 FYUVDWRKQTWYFR-OAQYLSRUSA-N 367.424 3.795 0 40 FHAB CS(=O)(=O)c1ccc(CN[C@H]2CCc3cc(F)c(Cl)cc32)s1 527894381 PVPWOGNWLHAEGC-AWEZNQCLSA-N 359.875 3.721 0 40 FHAB Cc1csc(NC(=O)c2cc(C(C)C)nc(N3CCCCCC3)n2)n1 96192112 RCMIOMLHUGWYCP-UHFFFAOYSA-N 359.499 3.998 0 40 FHAB C[C@H](Nc1ncnc2nc(N)ccc12)c1ccc(OCC(F)(F)F)cc1 90073689 WZGNJIUMXPLUIJ-JTQLQIEISA-N 363.343 3.721 0 40 FHAB CC(C)(C)c1ccccc1NC(=O)C(=O)NCCc1ccc(Cl)cc1 243036399 IDBUGPJOAMAVCI-UHFFFAOYSA-N 358.869 3.935 0 40 FHAB O=C(c1cnc2ccccc2c1)N1CCCC[C@H]1c1ccn2nccc2n1 257235021 GWBDTPGBCOYPSR-IBGZPJMESA-N 357.417 3.645 0 40 FHAB CCCn1nccc1-c1cnc([C@@H]2CCCN(C(=O)C(C)(C)C)C2)cn1 257241000 HWEYTFDJNJMJDH-OAHLLOKOSA-N 355.486 3.502 0 40 FHAB CN(Cc1ccc(F)c(Cl)c1)C(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1 626665485 JTLRUKISIYZCKG-MRXNPFEDSA-N 374.843 3.600 0 40 FHAB COC(=O)c1ccccc1C(=O)N1CCC(CSCc2ccco2)CC1 90608377 DNNGUQYZOKTUCT-UHFFFAOYSA-N 373.474 3.852 0 40 FHAB O=C(O)c1ccc(CN2CCC[C@@H]2c2nccc(C(F)(F)F)n2)s1 656760883 JCXMPZWZFKYCTQ-SNVBAGLBSA-N 357.357 3.592 0 40 FHAB CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 58429490 JJBCMYZDQLKMHN-KURKYZTESA-N 363.546 3.635 0 40 FHAB CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1ccc(C(N)=O)cc1 79243380 XGUILFHXPAYUFG-HUUCEWRRSA-N 362.351 3.571 0 40 FHAB O=C(NCc1ccccc1)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1 5002856 TWSUZVMOEXAHRY-RCCKNPSSSA-N 374.415 3.913 0 40 FHAB O=C(Nc1ccc(N2CCCCCC2)cc1)C1CCN(C(=O)C2CC2)CC1 13099620 HNDRLDYBYLLAFT-UHFFFAOYSA-N 369.509 3.654 0 40 FHAB Fc1cccc(CN2CCC(c3nnc(-c4ccncc4)o3)CC2)c1F 19292720 RTKMUAXQKPYOFU-UHFFFAOYSA-N 356.376 3.789 0 40 FHAB Cc1nn(-c2ccccc2)c2nc3c(cc12)CN(Cc1cccnc1)C(=O)O3 19565726 RMEWYYOHPSPTMF-UHFFFAOYSA-N 371.400 3.639 0 40 FHAB CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)C(C)C)CCO1 19697911 CKRKDPPABCWIPT-HNNXBMFYSA-N 374.506 3.595 0 40 FHAB Cc1cc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c2c(C)nn(C)c2n1 19716315 QXFVXRXMPNWSHP-INIZCTEOSA-N 364.449 3.617 0 40 FHAB Cc1nc(N2CCCCC2)ncc1-c1ccnc(N2CCc3ccccc32)n1 19960305 WBPUHNQHIAHHNJ-UHFFFAOYSA-N 372.476 3.927 0 40 FHAB COc1ccc2c(c1)nnn2C(=O)COc1c(C)cc(Cl)cc1Cl 226359823 JVPLITQIICSTHO-UHFFFAOYSA-N 366.204 3.774 0 40 FHAB COc1cccc([C@H](CNC(=O)c2cc(C)c(C)s2)N2CCCC2)c1 27340558 CAKSDIOXSCZLJV-SFHVURJKSA-N 358.507 3.940 0 40 FHAB NC(=O)c1cccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1 36694478 PJUCYZOFTPTQFT-UHFFFAOYSA-N 368.396 3.648 0 40 FHAB Cc1sc(NC(=O)[C@@H]2COc3ccccc3O2)nc1-c1ccccc1 4088390 LWHNOXNPGJQTBK-INIZCTEOSA-N 352.415 3.897 0 40 FHAB COc1ccccc1-c1nnc(NC(=O)c2ccc3ncsc3c2)o1 4276030 HQUYCZGIBDWEDS-UHFFFAOYSA-N 352.375 3.607 0 40 FHAB O=C(COc1ccccc1F)Nc1c2c(nn1-c1ccccc1)CSC2 5077270 QXFSMEIJUVVERG-UHFFFAOYSA-N 369.421 3.776 0 40 FHAB COc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccc(C(C)C)cc1 7455736 HAEKKCCIOYMJBC-UHFFFAOYSA-N 363.417 3.617 0 40 FHAB O=C(Cc1ccc(F)cc1)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 13695410 ZKVVHZXNWFFMDA-UHFFFAOYSA-N 364.376 3.803 0 40 FHAB Cc1nc(-n2cccc2)sc1C(=O)NC[C@@H]1CCCN1c1ccccc1 206784901 ZLPFJTYXIJSMTF-KRWDZBQOSA-N 366.490 3.641 0 40 FHAB Cn1cc([C@H]2CN(C(=O)c3ccc(Cl)s3)Cc3ccccc32)cn1 575618025 DBVADEJLCRMUJD-OAHLLOKOSA-N 357.866 3.923 0 40 FHAB Cc1ccc(OS(=O)(=O)c2cccs2)c(-n2nc3ccccc3n2)c1 28580302 ACWURBXRYPYUTH-UHFFFAOYSA-N 371.443 3.558 0 40 FHAB CCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nnc1-c1ccc(O)cc1 907366 YDEHNOOMGGHWHB-ZDUSSCGKSA-N 368.462 3.790 0 40 FHAB COc1cc2ccccc2cc1C(=O)NCCc1ccc2c(c1)OCCO2 3532789 GKUORVPQDXWLRL-UHFFFAOYSA-N 363.413 3.592 0 40 FHAB Cc1c(C(=O)N2CCCSc3ccccc32)cnn1-c1ccccn1 31884206 XLBZSDNYCASLDP-UHFFFAOYSA-N 350.447 3.718 0 40 FHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(F)cc1 6270447 JLXXNQQYEBXQCC-UHFFFAOYSA-N 370.405 3.879 0 40 FHAB Cc1cc(C)n(-c2ccc(SCc3nc(-c4ccsc4)no3)nn2)n1 11141672 CRGFWPWGFUYSFS-UHFFFAOYSA-N 370.463 3.683 0 40 FHAB O=C(NC1CC1)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 7054314 MEKLCMVITQJWAZ-UHFFFAOYSA-N 366.442 3.533 0 40 FHAB Cc1cccc(C(=O)OCC(=O)c2ccc(NC(=O)CC(C)C)cc2)c1O 7700874 LLKBURMKXVRMER-UHFFFAOYSA-N 369.417 3.725 0 40 FHAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc(C)cc2)c(OC)c1 7719578 IGCXHGGOHWUUCV-IBGZPJMESA-N 354.450 3.788 0 40 FHAB COC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1cc(C)cc(C)c1 7793480 XULVUFBQSORUQS-CQSZACIVSA-N 368.458 3.656 0 40 FHAB COC(=O)c1ccc2c(c1)[C@H]1C[C@](C)(O2)N(c2cccc(C)c2)C(=S)N1 101170292 QCLIBIYXPHWCSH-UZLBHIALSA-N 368.458 3.716 0 40 FHAB CC(C)c1ccc(OCC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1 32593806 UXIKRHJZQAMDPG-FQEVSTJZSA-N 358.457 3.747 0 40 FHAB O=C(O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl 102093564 NESGGQJUKXNZIS-BCIPIUJLSA-N 352.217 3.701 0 40 FHAB COc1ccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 8133470 WLTDDXNSZBXMRS-UHFFFAOYSA-N 374.849 3.932 0 40 FHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2Cl)cc1 8413398 COEHVWBCYAZTBA-UHFFFAOYSA-N 374.824 3.549 0 40 FHAB COC(=O)c1sccc1NC(=O)COc1cccc(C(F)(F)F)c1 32768228 JANYXBOCAKHWGS-UHFFFAOYSA-N 359.325 3.571 0 40 FHAB CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3Cl)cc21 8959380 OIJFNVCDOMIQOX-UHFFFAOYSA-N 358.825 3.974 0 40 FHAB CCCCOC(=O)c1ccc(OC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 32885617 LDYTXRACPRGVOA-QGZVFWFLSA-N 367.401 3.675 0 40 FHAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(Br)s1 36875691 RMTBKHOIAQTAFM-ZDUSSCGKSA-N 365.296 3.515 0 40 FHAB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc3c(c2)CCC3)CC1=O 8378025 MGCVABPCQRKBOU-QGZVFWFLSA-N 364.445 3.566 0 40 FHAB O=C1CN(C(=O)c2cccc(OCc3ccccc3)c2)c2ccccc2N1 2650622 HJRGSMAFODGHQE-UHFFFAOYSA-N 358.397 3.865 0 40 FHAB CNC(=O)c1csc(Nc2ccc(-c3ccc(C(=O)O)cc3)cc2)n1 27913789 HJDJNIJRHCVHTI-UHFFFAOYSA-N 353.403 3.612 0 40 FHAB COCC[C@@]1(C(=O)Nc2cccc(C)c2)CCN(C(=O)OC(C)(C)C)C1 75105923 CHEWQKAVGFMWIW-FQEVSTJZSA-N 362.470 3.597 0 40 FHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCO[C@H]2CCCC[C@H]21 46489033 JSUQXQFPEDDLRZ-KGLIPLIRSA-N 364.511 3.825 0 40 FHAB COc1ccc2cc(CNC(=O)CSc3nc(C)cc(C)n3)ccc2c1 22432073 CSKCAFJFDFIOSH-UHFFFAOYSA-N 367.474 3.664 0 40 FHAB COc1cccc2cc(C(=O)N(C)Cc3ccc(SC)cc3)c(=O)oc12 22404373 GMDAUKZXAOQCLQ-UHFFFAOYSA-N 369.442 3.796 0 40 FHAB CCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1C 57991319 WFRLVWYLWZUWCU-UHFFFAOYSA-N 352.843 3.662 0 40 FHAB Cc1cccc(OCCNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)c1 22506900 IWCAPGHKYDVERS-UHFFFAOYSA-N 366.465 3.517 0 40 FHAB Cc1ccc([C@H]2C[C@H]2C(=O)OCc2nnc(-c3ccccc3)n2C)s1 89656453 IRLFSGDKIFRMPF-LSDHHAIUSA-N 353.447 3.699 0 40 FHAB CC(=O)c1ccccc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 22957582 IUENCDWAKJWQGX-UHFFFAOYSA-N 359.325 3.589 0 40 FHAB CCCC[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2ON1c1ccccc1 102732705 PRSOMMYGWKCUOK-IPMKNSEASA-N 350.418 3.555 0 40 FHAB COc1ccccc1CNC(=O)c1csc(COc2ccc(F)cc2)n1 24829512 WTGKNETXQATFML-UHFFFAOYSA-N 372.421 3.800 0 40 FHAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)N1CCCCCCC1 43398567 PGFZYYYZQCEJSI-UHFFFAOYSA-N 351.878 3.975 0 40 FHAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc2c(c1)NC(=O)CO2 25672903 IMCBCOGMOIPEEQ-UONOGXRCSA-N 367.449 3.970 0 40 FHAB CN(C=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118924370 HLDTUQUVDSWHQL-BHXFFAOXSA-N 359.510 3.948 0 40 FHAB CC(C)c1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 12584737 PFOSMKLGDDHNHI-UHFFFAOYSA-N 358.463 3.959 0 40 FHAB Cc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1Cl 20110558 VYRRFQGKSPSBGG-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB c1ccc(-c2cn3nc(NCc4ccc(-n5cccn5)nc4)sc3n2)cc1 12520730 UAAOJVIAOFGENX-UHFFFAOYSA-N 373.445 3.651 0 40 FHAB Cc1cccc(C(=O)Nc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)c1C 27126952 SQHXYLBBDSDWDO-MRXNPFEDSA-N 362.433 3.952 0 40 FHAB O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)NCC1CCCCC1 3219325 DBQLGHAQFXOPES-UHFFFAOYSA-N 365.857 3.543 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)c2cc(C)nc3[nH]nc(C)c23)cc1 58165942 NALMVLOOZDSMCO-KRWDZBQOSA-N 350.422 3.561 0 40 FHAB O=C(NC1(c2ccc(F)cc2)CCC1)c1cccc(CN2CCCC2=O)c1 58170958 IPWHENPXVVMLCC-UHFFFAOYSA-N 366.436 3.757 0 40 FHAB Cc1cccc(-c2noc(CNC3(c4noc(C)n4)CCCCC3)n2)c1 58182796 DXQDSZGCGGOZGL-UHFFFAOYSA-N 353.426 3.686 0 40 FHAB COc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1C 27744172 VPDLPSCWMXVGLZ-GFCCVEGCSA-N 371.368 3.599 0 40 FHAB CCOc1cccc2c1OCC(C(=O)Nc1ccc3cnn(CC)c3c1)=C2 58367116 XBMIFCYUYXRPIL-UHFFFAOYSA-N 363.417 3.869 0 40 FHAB O=C(Cc1cccc2ccccc12)N1CCC[C@@H](c2nnc3ccccn23)C1 12793820 DUPAMMWJXOBKPV-LJQANCHMSA-N 370.456 3.831 0 40 FHAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1cccc(Br)c1 2270329 CYTIROBMWVBPGT-OAHLLOKOSA-N 364.195 3.747 0 40 FHAB Cc1cc(CNC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)on1 48356533 FHRYJIXAEAVXHW-UHFFFAOYSA-N 370.409 3.761 0 40 FHAB Cc1ccccc1Nc1nc(N)nc(CSCc2c(C)noc2C)n1 3456090 BAKQXYSRBIUBII-UHFFFAOYSA-N 356.455 3.544 0 40 FHAB C[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)c1cccc2ccccc12 12996202 ITMFJTUJXKQALB-MRXNPFEDSA-N 374.440 3.833 0 40 FHAB Cc1cccc2sc(NC(=O)[C@H]3CCCN(C(=O)c4ccoc4)C3)nc12 13013125 IMAHADVEEBELMS-ZDUSSCGKSA-N 369.446 3.689 0 40 FHAB Cc1nn(Cc2cccc(C(F)(F)F)c2)c(=O)n1-c1ccccc1F 4072957 OJZNTXVDQRSOSK-UHFFFAOYSA-N 351.303 3.549 0 40 FHAB Cc1c(C2CC2)n[nH]c1NC(=O)c1ccc(COCC(F)(F)F)cc1 64347058 GAQHZPYYBTYDNL-UHFFFAOYSA-N 353.344 3.927 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)n2cc(Br)cn2)c2ccccc2n1 28224647 PNCFMJZGJUCEIJ-LLVKDONJSA-N 359.227 3.702 0 40 FHAB CCOC(=O)Cc1csc(SCc2nnc(-c3ccccc3)o2)n1 5014541 GXGIEKYXVLHUCG-UHFFFAOYSA-N 361.448 3.591 0 40 FHAB O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)NCc1ccco1 5147290 GOLCYRAKMIVFLU-UHFFFAOYSA-N 355.394 3.654 0 40 FHAB CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3C)C2)cc1 4385213 AXTGXJZWVCYYFY-INIZCTEOSA-N 352.434 3.694 0 40 FHAB CC(C)c1noc(CN2CCC([C@@H]3CCCCCN3C(=O)C3CC3)CC2)n1 69812678 JHHOKRSSWVCEKN-SFHVURJKSA-N 374.529 3.586 0 40 FHAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1n[nH]c2ccccc12 6370943 NMIGXRINGSOBNU-ZDUSSCGKSA-N 351.406 3.872 0 40 FHAB COc1ccccc1N1CCN(C(=O)c2ccc3c4c(cccc24)CC3)CC1 14049728 KDOAUZFVOJVIKT-UHFFFAOYSA-N 372.468 3.909 0 40 FHAB CCCCc1ccc(C(=O)CCC(=O)N2CCCN3CCC[C@H]3C2)cc1 65585901 UHJGSIFNXMEAMY-FQEVSTJZSA-N 356.510 3.689 0 40 FHAB COc1cc(CCC(=O)N[C@H]2CCSc3ccccc32)cc(OC)c1 14110019 XOEAWAAXSCHASZ-SFHVURJKSA-N 357.475 3.990 0 40 FHAB Cc1ccc2[nH]c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2c1 4696074 SUOREOFNZGAODJ-UHFFFAOYSA-N 360.417 3.526 0 40 FHAB O=c1c2sccc2n(Cc2ccc(Cl)cc2)c(=O)n1Cc1ccco1 6678820 OJWBXTBRKVQRFX-UHFFFAOYSA-N 372.833 3.568 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(C)C 6779087 QSDADLKYIVGBOB-IBGZPJMESA-N 354.450 3.705 0 40 FHAB COc1ccc(CCNC(=O)Cc2nc(-c3ccccc3)oc2C)cc1 14898689 FMHBTVCURFZUMY-UHFFFAOYSA-N 350.418 3.560 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1C 8852841 ITUJPAXQYPTACO-UHFFFAOYSA-N 365.433 3.995 0 40 FHAB CC(=O)Nc1cccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 6932031 CIFAKECDDHBPRM-UHFFFAOYSA-N 371.868 3.569 0 40 FHAB CCCCC[C@H](O)CC[C@@H]1[C@@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 15111072 DPOINJQWXDTOSF-ZMMAXQRCSA-N 356.503 3.699 0 40 FHAB biogenic O=C1CCc2cc(C(=O)Nc3ccc(OCC(F)(F)F)cc3)ccc2N1 8944439 BKHUBSALPFNNIX-UHFFFAOYSA-N 364.323 3.765 0 40 FHAB COc1ccc(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1F 5992965 RGKKSQVCHYZKSY-UHFFFAOYSA-N 352.291 3.555 0 40 FHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)NCc1ccc(Cl)cc1 7068611 QOLAUNXKPSCRSZ-UHFFFAOYSA-N 359.788 3.778 0 40 FHAB C[C@@]1(C(=O)Nc2ccc(OC(F)(F)F)cc2)Cc2ccccc2C(=O)O1 7473966 PHHASSCRRALOFV-KRWDZBQOSA-N 365.307 3.696 0 40 FHAB Cc1cc(Br)ccc1NC(=O)CN(C)Cc1cccc(F)c1 7791490 OGXDRTRQTIKGEX-UHFFFAOYSA-N 365.246 3.967 0 40 FHAB COc1ccc(CC(=O)Nc2ccc(F)c(Cl)c2)c(OC)c1OC 7950164 DVPLTRZZKBTXLY-UHFFFAOYSA-N 353.777 3.686 0 40 FHAB COc1ccc(OC)c([C@@H]2CCCN2Cn2nc(C3CC3)n(C)c2=S)c1 8151125 NGCZJFSTEZJNTP-INIZCTEOSA-N 374.510 3.640 0 40 FHAB C[C@@H](NC(=O)c1csc2c1CCCC2)c1ccc(S(C)(=O)=O)cc1 9836556 MKZMCSQVDKWIAV-GFCCVEGCSA-N 363.504 3.521 0 40 FHAB CC(C)(C)OC(=O)NC[C@H](NC(=O)Nc1cccnc1)C1CCCCC1 72275353 RBEGTOGRTRDRCO-INIZCTEOSA-N 362.474 3.677 0 40 FHAB CC(C)(C)c1ccc2cc(C(=O)NCc3ccc(-n4ccnc4)nc3)[nH]c2c1 84284555 LCQZMCFIQIHJDY-UHFFFAOYSA-N 373.460 3.976 0 40 FHAB O=C(CSc1nncc2ccccc12)N[C@H]1CCCC[C@H]1C(F)(F)F 84598797 GLHYZCSYFDFZFI-KGLIPLIRSA-N 369.412 3.959 0 40 FHAB CC(=O)c1cccc(NC(=O)CN2CC(c3nc4ccccc4s3)C2)c1 79094810 NFYFFEBIJOPBDJ-UHFFFAOYSA-N 365.458 3.537 0 40 FHAB COc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1OCc1ccccc1 9953467 DDHNYUKEVRNSML-HOTGVXAUSA-N 355.434 3.524 0 40 FHAB O=C(NCc1ccnc(N2CCCCC2)c1)Nc1ccc2c(c1)CCC2 79103141 OIGWPKRQFBAULW-UHFFFAOYSA-N 350.466 3.882 0 40 FHAB COc1ccc([C@@H](NC(=O)Nc2nccn2-c2ccccc2)C2CC2)cn1 529082306 QVAOKSLUZDAVTE-SFHVURJKSA-N 363.421 3.549 0 40 FHAB CCN1CC[C@H](CCc2ccc(NC(=O)c3cnccn3)cc2)[C@H](C)C1 36734964 HSZPDAJYRIMOHM-AEFFLSMTSA-N 352.482 3.639 0 40 FHAB Cc1nc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)n[nH]2)sc1C 72191821 ASUXYGHQQOQVKO-NSHDSACASA-N 359.480 3.664 0 40 FHAB COCc1ccccc1NC(=O)NCc1ccnc(N2CCCCC2)c1 79102692 KVZHGPXBXZESAC-UHFFFAOYSA-N 354.454 3.540 0 40 FHAB CCC[C@H](C)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1C(=O)O 217639751 RDFVIUJNUXZLKY-ZDUSSCGKSA-N 362.451 3.786 0 40 FHAB COc1ccc([C@@H]2OC[C@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]32)cc1OC 33831170 AWOGQCSIVCQXBT-SORVUCRQSA-N 370.401 3.508 0 40 FHAB in-man COc1ccc(CN(C)C(=O)C2CCN(Cc3ccccc3F)CC2)cc1 39744357 YBEXSMWHZPWNRY-UHFFFAOYSA-N 370.468 3.705 0 40 FHAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1C 224630933 WOTHICZSBRNGJM-NRFANRHFSA-N 366.505 3.524 0 40 FHAB CCN(CC)CCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)cc1 225606295 IPBFZCGSMXGTIB-HXUWFJFHSA-N 350.503 3.797 0 40 FHAB C[C@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)NCc1cccc(F)c1 227152923 MYSCLZMDJSCGPK-ZDUSSCGKSA-N 373.815 3.749 0 40 FHAB CC[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(c1ccccc1)S(C)(=O)=O 224296972 HSZWMQMCEVZPNE-INIZCTEOSA-N 368.543 3.562 0 40 FHAB CCC(=O)N(Cc1cccc(OC)c1)[C@@H](CC)C(=O)NC1CCCCC1 225324120 BDVBXLLLSWXNAO-IBGZPJMESA-N 360.498 3.661 0 40 FHAB COc1cccnc1NC(=S)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 225680561 IZUMHDUWPQHABL-AWEZNQCLSA-N 357.479 3.987 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)NCc2cccc(CN3CCCC3)c2)c(C)c1 224626672 PUXLNACRWFRCFJ-LJQANCHMSA-N 366.505 3.983 0 40 FHAB COc1cc(CNS(=O)(=O)c2cc(C)ccc2C)ccc1OC(C)C 223709059 BLLRDQMBIKAOFP-UHFFFAOYSA-N 363.479 3.578 0 40 FHAB CC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCC(C)C)c1ccccc1 223471122 JGVDOPYAXMTCNZ-FQEVSTJZSA-N 356.441 3.688 0 40 FHAB Fc1ccc2nc(CO[C@H]3CN(Cc4ccccc4F)C[C@H]3F)[nH]c2c1 96112221 AACNFPFWXNTEAX-QAPCUYQASA-N 361.367 3.580 0 40 FHAB biogenic,in-vitro CCC(CC)C(=O)N1CCc2nc(-c3ccc(F)cc3)nc(C)c2CC1 96254761 ISQHUCHPDCKRRL-UHFFFAOYSA-N 355.457 3.955 0 40 FHAB COc1cccc2c1OC[C@@H](C(=O)N1CCC(C)=C(c3ccco3)C1)C2 585080039 FVAGGOOVJWEUFF-INIZCTEOSA-N 353.418 3.545 0 40 FHAB CCCn1nccc1-c1nccnc1C1CCN(C(=O)C(C)(C)C)CC1 257208824 BNSLIFPITGYMBJ-UHFFFAOYSA-N 355.486 3.502 0 40 FHAB Cc1cccc(CN2[C@H](c3ccccc3F)C[C@H]3NC(=O)CCCC[C@@H]32)n1 257242043 IAVFEJULHDBXAZ-HKBOAZHASA-N 367.468 3.904 0 40 FHAB O=C(NCc1ccc(C(=O)c2cccs2)s1)c1cc(C2CC2)on1 85474153 OMTCECQIHAUMCL-UHFFFAOYSA-N 358.444 3.836 0 40 FHAB C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)C[C@@H](O)Cc1ccccc1 618983218 FNKONDKGMYRUNT-JJXUHFIVSA-N 373.880 3.622 0 40 FHAB Cc1cccc2c1CCC[C@H]2NC(=O)c1c[nH]c2c(F)cc(F)cc2c1=O 1641241036 OJYRGEIAODPYRV-GOSISDBHSA-N 368.383 3.922 0 40 FHAB O=C(c1cccc(C(F)(F)F)c1O)N1CCO[C@@H](C2CCCCC2)C1 622509424 CRVORUWSJSSCNI-OAHLLOKOSA-N 357.372 3.832 0 40 FHAB Cc1cc(C(=O)Nc2ccc(Cl)c3ncccc23)n(C2CCOCC2)n1 636587772 LMQUVPREITYMDI-UHFFFAOYSA-N 370.840 3.997 0 40 FHAB CC[C@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC[C@@H](C)C2)C1 1613689027 YMJREVKPKUDQIW-LLGFUMIMSA-N 373.545 3.577 0 40 FHAB COc1ccccc1OCC(=O)N1CCCC[C@@H]1CSC(C)(C)C 390831155 QDMMLIXYCDRNGS-OAHLLOKOSA-N 351.512 3.987 0 40 FHAB c1cncc(O[C@@H]2CSC3(C2)CN(Cc2cccc4[nH]ccc24)C3)c1 585103356 AVFIBUANWNCEPK-KRWDZBQOSA-N 351.475 3.702 0 40 FHAB OCc1ccc(-c2cccc([C@H]3CCCN(C4CCOCC4)C3)n2)cc1 72350083 HKPZIUPXHPEANS-IBGZPJMESA-N 352.478 3.599 0 40 FHAB Cc1ccc2cc(C(=O)N[C@H](CO)c3cccc(C(F)(F)F)c3)[nH]c2c1 1171575511 WZRDGTBCMFQOJA-QGZVFWFLSA-N 362.351 3.959 0 40 FHAB COc1ccc(OCCOC(=O)COc2ccc3ccccc3c2)cc1 5990430 SKXABFOUCKPNMA-UHFFFAOYSA-N 352.386 3.849 0 40 FHAB Cc1cccc(CN2CCc3c(nc4cc(-c5ccoc5C)nn4c3O)C2)c1 12185455 RDXVYJKYGRMJBH-UHFFFAOYSA-N 374.444 3.870 0 40 FHAB CCc1nn(C)c(C(=O)N[C@H](Cc2ccsc2)c2nccs2)c1C 12227137 JWFLTJAVPKLVNJ-CQSZACIVSA-N 360.508 3.523 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccncc2)N1Cc1ccccc1 12522423 OYOHCIOLPPYRQO-HXUWFJFHSA-N 368.392 3.933 0 40 FHAB COc1ccc2cc([C@@H](C)C(=O)NCc3c(C)cc(C)[nH]c3=O)ccc2c1 12567053 GOZAOFFSALIXLO-OAHLLOKOSA-N 364.445 3.573 0 40 FHAB Cc1cc(C)c(NC(=O)CNC(=O)c2cc3ccccc3cc2O)c(C)c1 17960710 ZEXXDRUYXGHUKQ-UHFFFAOYSA-N 362.429 3.839 0 40 FHAB Cc1cc(-c2c[nH]nc2[C@@H]2CCCCN2C(=O)Cc2cccc(F)c2)on1 19120862 VAKVKZOAMSKJDE-KRWDZBQOSA-N 368.412 3.809 0 40 FHAB CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3cccc(-c4nc[nH]n4)c3)c2C1 19715640 SKJZHZZQCXVSLI-CYBMUJFWSA-N 365.437 3.863 0 40 FHAB CC(=O)Nc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1 6295978 BFLRQDOGMBMEAX-BOPFTXTBSA-N 352.415 3.882 0 40 FHAB Cc1ccc(C(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)s1 19216808 RZNYXSZAJHENLL-UHFFFAOYSA-N 370.518 3.992 0 40 FHAB O=C(Cc1csc(-c2ccccn2)n1)OCc1nc2ccccc2o1 11252994 JLZUTJIPTCVGPU-UHFFFAOYSA-N 351.387 3.632 0 40 FHAB COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCO[C@H](C)C2)cc1 22384983 IQXRMCYGAGOEHW-QGZVFWFLSA-N 363.461 3.769 0 40 FHAB Cc1ccc(CNC(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1 23392508 ZIJFNUGSYLOPME-UHFFFAOYSA-N 352.356 3.936 0 40 FHAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)NN1C 2186373 BFIZLGJLKBXUOM-KRWDZBQOSA-N 363.248 3.851 0 40 FHAB O=C(COc1ccccc1)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 3008153 UTRHFZUZGMNDTI-UHFFFAOYSA-N 369.421 3.776 0 40 FHAB COc1ccc(-c2cnc(SCCNC(=O)c3ccccc3F)[nH]2)cc1 4315465 ILPMSMBMTUHNEI-UHFFFAOYSA-N 371.437 3.747 0 40 FHAB COc1ccccc1OCC(=O)OCc1cc(-c2ccc(F)cc2)on1 11025863 NYWKYWWDDQDSAP-UHFFFAOYSA-N 357.337 3.612 0 40 FHAB CC(=O)Nc1c(C)ccc(CNC(=O)COc2cc(C)ccc2C)c1C 5054920 WZFQCRFXSDPPKX-UHFFFAOYSA-N 354.450 3.574 0 40 FHAB c1ccc(CSc2nc3sc4c(c3c3nnnn23)CCCC4)cc1 2343454 FGIGTKHGCFRFMP-UHFFFAOYSA-N 353.476 3.905 0 40 FHAB O=C(OCc1cc(-c2cccs2)on1)c1cncc(Br)c1 7550894 BFRGHSMHMAYFSQ-UHFFFAOYSA-N 365.208 3.918 0 40 FHAB Cc1nc2cc(F)ccc2n1C1CCN(S(=O)(=O)c2ccccc2)CC1 1380396 OLLOGQJEBUSSNE-UHFFFAOYSA-N 373.453 3.510 0 40 FHAB COc1cccc(OCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1 2750729 ASVYVPDQFCEJJK-HZPDHXFCSA-N 355.434 3.524 0 40 FHAB O=C(NCCCCCCNC(=O)c1ccc(F)cc1)c1ccc(F)cc1 3077611 NBRZKDDWBPDNNO-UHFFFAOYSA-N 360.404 3.685 0 40 FHAB CSc1ccc(CNC(=O)c2nnn(-c3ccc(C)c(F)c3)c2C)cc1 51317715 KOJZCBRNNTUSRB-UHFFFAOYSA-N 370.453 3.675 0 40 FHAB Cc1cccc(N2C(=O)/C(=C\NCc3ccccn3)c3ccccc3C2=O)c1 101189151 JIBMBTFRRHAYMJ-QNGOZBTKSA-N 369.424 3.708 0 40 FHAB CC(=O)Nc1nc(COC(=O)c2ccc(Cl)c3cccnc23)cs1 51457201 GOYQYGIAHIZHRY-UHFFFAOYSA-N 361.810 3.660 0 40 FHAB C[C@H](NC(=O)COC(=O)C1CCCCC1)c1ccc(Br)cc1 6376523 NKBXXKCBFMQKMD-LBPRGKRZSA-N 368.271 3.750 0 40 FHAB CN(Cc1ccc(Cl)c(Cl)c1)CN1C(=O)CC2(CCCC2)C1=O 20632707 DQIRTJYDNQFALP-UHFFFAOYSA-N 355.265 3.702 0 40 FHAB COc1cccc(-n2cnc3cc(C(=O)Nc4ccccc4)ccc3c2=O)c1 32105498 MNIJDWXVKPQURV-UHFFFAOYSA-N 371.396 3.647 0 40 FHAB Cc1nc2cc([C@H]3CCN(C[C@@H](C)c4ccccc4)C3)nn2c(O)c1C 100742547 OYBQMBDOBDDHAM-KDOFPFPSSA-N 350.466 3.645 0 40 FHAB CN(CCOc1ccccc1)C(=O)c1ccc(OCc2cscn2)cc1 18073095 UBJBLZSWKLAAQC-UHFFFAOYSA-N 368.458 3.873 0 40 FHAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cc1ccccc1Cl 32753853 QSGJPGLBZKDTRT-CYBMUJFWSA-N 365.882 3.506 0 40 FHAB CC(C)CCNC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 32945336 ZEBSENHBTBZPET-CQSZACIVSA-N 356.466 3.612 0 40 FHAB CCOC(=O)Nc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C)cc1 11647868 ZAEBFTNNPMUENH-UHFFFAOYSA-N 358.394 3.833 0 40 FHAB Cc1cccc2nc(CSc3ncnc4c3oc3ccccc34)cc(=O)n12 9575345 AYNPOMFNLPGTCE-UHFFFAOYSA-N 374.425 3.985 0 40 FHAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2N2CCOCC2)c1C 2616457 BBPMSYQTFWJVQJ-UHFFFAOYSA-N 374.506 3.558 0 40 FHAB O=C(CSc1cc(-c2ccccc2)ncn1)OCCOc1ccccc1 11903024 GWODYDAZTUYAFL-UHFFFAOYSA-N 366.442 3.858 0 40 FHAB Cc1cccc(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)c1 113962198 OHHPRTUEZOKOFO-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB COC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1cc(-c2ccccc2)cs1 69983023 RCROYPINLNBAQL-QGZVFWFLSA-N 356.447 3.900 0 40 FHAB Cc1cc(C(=O)CCC(=O)N(C)Cc2ccc3c(c2)OCO3)c(C)s1 23751408 USUYYFWCMKBXFB-UHFFFAOYSA-N 359.447 3.715 0 40 FHAB COc1cccc(NC(=O)c2cc(O)c(OCc3ccccc3)cn2)c1 12168396 SNMYKDNEIOMSSD-UHFFFAOYSA-N 350.374 3.627 0 40 FHAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(N)c1 20344988 LFESPJDKWIVGBP-SECBINFHSA-N 355.221 3.990 0 40 FHAB COc1ccc(-c2noc(-c3n[nH]c4c3CCc3cc(OC)ccc3-4)n2)cc1 12323929 NXZBFEJSJUONLQ-UHFFFAOYSA-N 374.400 3.910 0 40 FHAB CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 25091257 YPQJEHBIUUOYGI-DLBZAZTESA-N 356.466 3.675 0 40 FHAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(-n2ccnc2)nc1 25285983 NOBKNQRSBIRAFI-NRFANRHFSA-N 368.440 3.981 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1noc2c1C[C@@H](C)CC2 20294476 ZXPMPUVKUXAMSI-ZDUSSCGKSA-N 364.449 3.913 0 40 FHAB Cc1nn(C[C@H](C)C(=O)Nc2ccc(Cl)cn2)c(C)c1Br 28234623 KFVQFGZOWZOTFH-QMMMGPOBSA-N 371.666 3.586 0 40 FHAB CCCNc1nnc(SCc2nc(-c3ccccc3OC)no2)s1 26617409 DUONUHKZIWYGRI-UHFFFAOYSA-N 363.468 3.711 0 40 FHAB CCCSc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 12520436 SKXZNVMFPVWLRY-UHFFFAOYSA-N 369.446 3.906 0 40 FHAB O=C(Nc1nc(C2CC2)cs1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 108689785 XYNYDBBFCRTTOA-OAHLLOKOSA-N 355.463 3.511 0 40 FHAB O=C(Nc1nnc(C2CC2)s1)N1CCC(Nc2ccc(F)cc2)CC1 58159511 ZKCSERRYHCVYOY-UHFFFAOYSA-N 361.446 3.663 0 40 FHAB O=C1c2ccccc2N[C@@]2(C(=O)Nc3cc(F)ccc32)N1Cc1ccccc1 58162075 JCBRFGLQSWPXCB-JOCHJYFZSA-N 373.387 3.699 0 40 FHAB CC(C)CN(C(=O)/C=C/c1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1 10431518 GBFWNKHNTRDZAT-VYENPZKTSA-N 371.502 3.525 0 40 FHAB Cc1cnn([C@H]2CCCN(C(=O)NCCc3csc4ccccc34)C2)c1 171902679 ZTOQFJZYQNUHQZ-KRWDZBQOSA-N 368.506 3.995 0 40 FHAB CCCOc1cc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)ccc1Cl 28051460 OPJAJWGXEYCJNI-UHFFFAOYSA-N 369.826 3.628 0 40 FHAB Nc1c(Cl)cc(NS(=O)(=O)c2c(F)cccc2F)cc1Cl 7708692 NCHOXIDJJCUQKM-UHFFFAOYSA-N 353.177 3.655 0 40 FHAB CCOc1ccc(Cl)cc1NC(=O)NC1CCN(CC(C)C)CC1 48127415 BKTNAWQRYXSUJA-UHFFFAOYSA-N 353.894 3.981 0 40 FHAB Cc1c(C(=O)N[C@@H](C)c2nnc3ccccn23)sc2cccc(F)c12 48374474 OEWXOVOYUFBTMJ-NSHDSACASA-N 354.410 3.883 0 40 FHAB O=C(O)c1ccc(CNC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1 12851763 YXWUJKHBHXKKHR-UHFFFAOYSA-N 365.410 3.936 0 40 FHAB Cc1cc2oc(=O)cc(CSc3nnc(C4CC4)n3N)c2cc1C(C)C 3484323 LRIATVDRPKGZRB-UHFFFAOYSA-N 370.478 3.700 0 40 FHAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(N2CCOCC2)cc1 3437387 HSIZXADADMSSRF-UHFFFAOYSA-N 363.417 3.739 0 40 FHAB Cc1c(C(=O)N2CCN(C(=O)C3CC3)CC2)oc2c1ccc1ccccc12 7965720 VIYGPKOOBGUUQA-UHFFFAOYSA-N 362.429 3.589 0 40 FHAB CCCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2F)NC1=S 3662672 UTGWKDIIJCLNAW-ATVHPVEESA-N 370.449 3.872 0 40 FHAB Clc1cccc2nnc(-c3cccc(I)c3)n12 3617082 SISWWKAJNRMGML-UHFFFAOYSA-N 355.566 3.654 0 40 FHAB CC(=O)N1N=C(C2CC2)C[C@H]1c1cc2cc3c(cc2nc1Cl)OCO3 13013647 MUGRUFMUBASYED-HNNXBMFYSA-N 357.797 3.676 0 40 FHAB Cc1cccc2sc(NC(=O)c3cccc(CN4CCCC4=O)c3)nc12 13023754 IMWUJZDRWNDGGK-UHFFFAOYSA-N 365.458 3.979 0 40 FHAB Cc1nn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 13021207 XNEXHNDLDMQSAN-LBPRGKRZSA-N 372.375 3.668 0 40 FHAB COc1ccc(-n2cccc2/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1 409010945 GJKKZFNTRAYKNZ-XMHGGMMESA-N 359.385 3.583 0 40 FHAB Cc1c(CC(=O)NCC(C)C)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 4089587 DMEWGXIOKDOUPD-UHFFFAOYSA-N 357.450 3.520 0 40 FHAB biogenic C[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]12 13590744 TZAFNFPJXKADMZ-BHTHQVBYSA-N 371.742 3.582 0 40 FHAB CCN(c1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1)S(C)(=O)=O 8297665 BNLNDARXHOOUQU-UHFFFAOYSA-N 374.487 3.969 0 40 FHAB Cc1cc(NC(=O)COC(=O)/C=C/c2ccccc2)ccc1Br 6054037 DOXQCBJNNVBSFD-JXMROGBWSA-N 374.234 3.953 0 40 FHAB CCn1ncc2c(C(=O)Nc3nnc(C)s3)cc(-c3ccccc3)nc21 14051208 RHVPZKLZQJTCSG-UHFFFAOYSA-N 364.434 3.530 0 40 FHAB COc1cc2[nH]c(C(=O)N[C@@H](C)c3ccccc3)cc2c(OC)c1OC 5348979 BGEZPDKPIOFNPJ-LBPRGKRZSA-N 354.406 3.685 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3O)[nH]n2)cc1 5343973 KRQJJEHYENCIHG-UHFFFAOYSA-N 370.796 3.646 0 40 FHAB COc1cc(NC(=O)CSCc2ccc(F)cc2)cc(OC)c1OC 14166980 MZUQSCMGBUMFDL-UHFFFAOYSA-N 365.426 3.723 0 40 FHAB C[C@H](c1nc2ccccc2s1)N(C)Cc1nc2ccccc2c(=O)[nH]1 23847206 JYEMZNNIWTYLEJ-GFCCVEGCSA-N 350.447 3.726 0 40 FHAB COc1ccccc1-n1cnnc1SCC(=O)c1ccc(F)c(F)c1 4894936 KWQQTSRPYPDSSE-UHFFFAOYSA-N 361.373 3.529 0 40 FHAB O=C1c2ccccc2N[C@H](c2ccc3c(c2)OCCO3)N1Cc1ccco1 6830874 QPHWRBWKVSTWLN-FQEVSTJZSA-N 362.385 3.818 0 40 FHAB O=C(Nc1cccc(CCN2CCCC2)c1)c1ccc(Cn2ccnc2)cc1 91824744 LNVXQQAFYPSIKH-UHFFFAOYSA-N 374.488 3.822 0 40 FHAB C[C@@H]1CC(=O)c2c(OCC(=O)NCc3cccc(Cl)c3)ccc(F)c21 15396511 FAYURKAYOAGQSI-LLVKDONJSA-N 361.800 3.864 0 40 FHAB CCOc1ccc(CN(C)C(=O)C(=O)Nc2ccc(Cl)cc2C)cc1 80250673 KZVMMNQJIAOTGW-UHFFFAOYSA-N 360.841 3.644 0 40 FHAB Cc1nc(-c2cccc(NC(=O)c3cccc(-c4nn[nH]n4)c3)c2)cs1 9595657 RHTDYQSTQBCWAR-UHFFFAOYSA-N 362.418 3.551 0 40 FHAB C[C@H](NC(=O)CCc1nc2ccccc2o1)c1ccc(-n2ccnc2)cc1 9219997 MFFWQQYOLPXJCP-HNNXBMFYSA-N 360.417 3.824 0 40 FHAB COC(=O)N(C)c1ccc(NC(=O)c2ccc(Cl)nc2Cl)cc1 60246320 DLCXQWOUYWFVBI-UHFFFAOYSA-N 354.193 3.843 0 40 FHAB Cc1ccc(C(=O)NCCCNC(=O)c2ccc(-c3ccccc3)cc2)cn1 9355898 SKQJZIFQIFNZSP-UHFFFAOYSA-N 373.456 3.607 0 40 FHAB CCOCCCn1/c(=N/C(=O)Nc2ccc(OC)cc2)[nH]c2ccccc21 89986948 KWBNQRSEPJMVPR-UHFFFAOYSA-N 368.437 3.537 0 40 FHAB C[C@@H]1CCCN(C(=O)COC(=O)c2ccccc2Oc2ccccc2)C1 89929786 NYGCGIPFIMZZJA-MRXNPFEDSA-N 353.418 3.894 0 40 FHAB COCCn1ccc2c(NC(=O)c3ccc4c(c3)OCCCO4)cccc21 72401238 QOPHIHSKSTYDNB-UHFFFAOYSA-N 366.417 3.701 0 40 FHAB C[C@@H](CC(=O)Nc1ccccc1)NCc1ccnc(N2CCCCC2)c1 95352959 GXIHQKXRILFWJN-KRWDZBQOSA-N 352.482 3.579 0 40 FHAB Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)c(Cl)c1 95947490 HUSXLEZMQSIYNZ-MRXNPFEDSA-N 360.866 3.802 0 40 FHAB COCC[C@H](Cc1cccc(F)c1)NCc1ccccc1Cn1cccn1 95967196 VFKLVTWJBZYCCR-JOCHJYFZSA-N 367.468 3.808 0 40 FHAB Cc1cc(C)n([C@H](C)c2nc(-c3cc(Br)cs3)no2)n1 74446255 YMQXRCXYSDYCEM-SECBINFHSA-N 353.245 3.983 0 40 FHAB C[C@@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc(S(C)(=O)=O)cc1 32460612 GXPOBOMYDUYZJQ-MRXNPFEDSA-N 371.502 3.779 0 40 FHAB COc1cc(C(=S)NCc2ccc(Cl)cc2)cc(OC)c1OC 408573885 PWFOOKWOYODNQQ-UHFFFAOYSA-N 351.855 3.831 0 40 FHAB Cc1ccccc1N1C(=O)C[C@H](Nc2ccccc2Br)C1=O 36635396 HERHJPQPOQPKMC-AWEZNQCLSA-N 359.223 3.502 0 40 FHAB C[C@H]1CCN(Cc2cccc(S(=O)(=O)N(C)C)c2)[C@H](c2ccco2)C1 76184460 HEQFLBVNPWBVIL-YJBOKZPZSA-N 362.495 3.503 0 40 FHAB C[C@H](CC(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1)n1cccn1 36752651 KWMOITJDDLUWOO-LLVKDONJSA-N 361.858 3.569 0 40 FHAB COc1ccccc1CNC(=O)c1ccc(Cn2nc(C)c(Cl)c2C)o1 32610793 MKBVTPKCLCNHCB-UHFFFAOYSA-N 373.840 3.733 0 40 FHAB Cc1noc(C)c1Cc1nnc2sc(Cc3ccc(Cl)cc3)nn12 72405835 SILHJSXFHZNMGL-UHFFFAOYSA-N 359.842 3.626 0 40 FHAB CCC[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)c1ccccc1 32675918 OMANHZMSJFZUEK-OAQYLSRUSA-N 351.494 3.961 0 40 FHAB CCc1ncc(CN2CCC[C@@H]2c2n[nH]cc2-c2ccccc2F)cn1 72380395 RMWQVDHWBGHOCK-GOSISDBHSA-N 351.429 3.905 0 40 FHAB CC[C@@H](C)C(=O)Nc1ccc(OC)c(OCc2cn3ccccc3n2)c1 48206150 PELWTPIMSKTAKL-CQSZACIVSA-N 353.422 3.907 0 40 FHAB CCCCOC(=O)c1cc(N)c(Sc2nc(CC)n[nH]2)c(Cl)c1 70462558 YBTDJNFPOATLDA-UHFFFAOYSA-N 354.863 3.711 0 40 FHAB O=S(=O)(Nc1cc(C2CCCCCC2)[nH]n1)c1ccc2c(c1)COC2 329986407 FFVXEBNIDRVIAC-UHFFFAOYSA-N 361.467 3.679 0 40 FHAB O=C(CCc1cccc(Cl)c1)N1CC[C@H](N2CCc3ccccc3C2)C1 225685746 GSJMRYBKXOAKIN-NRFANRHFSA-N 368.908 3.932 0 40 FHAB COc1ccccc1NC(=O)N(C)Cc1nc(-c2ccccc2C)no1 225770776 NRUVRIIFQHKEIW-UHFFFAOYSA-N 352.394 3.718 0 40 FHAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1 222948053 RREYUOJSXUGHTF-SFHVURJKSA-N 352.478 3.563 0 40 FHAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCOc1ccc(OC)cc1 224467697 SRVUCJTXEFYSHO-IBGZPJMESA-N 357.450 3.665 0 40 FHAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)OCO2 223437679 CRNANPNPQKMDCS-UHFFFAOYSA-N 357.840 3.591 0 40 FHAB CSc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC(C)=O 225640088 BKJDFZBIKPGPRK-UHFFFAOYSA-N 370.883 3.821 0 40 FHAB Cc1ccccc1OCC(=O)Nc1c(C)cc2nc(NN)sc2c1C 45889989 LWHKQJKZNGYUKB-UHFFFAOYSA-N 356.451 3.525 0 40 FHAB O=C(NCC1CCN(C(=O)Oc2ccccc2)CC1)Nc1cccs1 43983867 UXOHGKOYPLPBRN-UHFFFAOYSA-N 359.451 3.781 0 40 FHAB COc1ccc(CNC(=S)Nc2ccc(OC)c3ncccc23)cc1 225315004 KEWWXBSPANYLIT-UHFFFAOYSA-N 353.447 3.739 0 40 FHAB CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 222755532 DHNYJTRPCXTOCC-SJORKVTESA-N 369.881 3.523 0 40 FHAB CCCNC(=O)c1ccn(-c2ccc3ccc(-c4cccc(OC)c4)cn23)n1 96155442 LGGFGMANZRDXKQ-UHFFFAOYSA-N 374.444 3.940 0 40 FHAB O=C(N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21)c1n[nH]c2c1CCC2 96118407 GDSKVLYFVBCWDY-MRXNPFEDSA-N 354.841 3.841 0 40 FHAB C[C@@H](NC(=O)c1cccnc1)c1onc(-c2ccc(Cl)cc2)c1C(=O)O 96296954 YQEPGFBDNKRKIF-SNVBAGLBSA-N 371.780 3.579 0 40 FHAB biogenic,in-vitro COc1ccc(C[C@H]2CN(C(=O)c3ccccc3F)CC[C@H]2OC)cc1 96110256 AGMGNZPZGQHYIZ-OXJNMPFZSA-N 357.425 3.554 0 40 FHAB Cc1cc(C)cc(CN2Cc3cncn3[C@H](COCC3CCOCC3)C2)c1 247913037 LQFZEOCZDTZSJS-QFIPXVFZSA-N 369.509 3.500 0 40 FHAB Cc1cc([C@@H]2CCCCN2C(=O)CCc2cccs2)nc2ccnn12 257335401 YJZGNTRPCDTTEG-KRWDZBQOSA-N 354.479 3.786 0 40 FHAB COCc1nc(C)cc(=NCc2csc(Cc3ccc(Cl)cc3)n2)[nH]1 585139206 UVRNLPHBFKLOOE-UHFFFAOYSA-N 374.897 3.666 0 40 FHAB Cc1ccc(CN2CCC[C@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)o1 1615118256 BNBRIRPQQZEBAK-NRFANRHFSA-N 372.440 3.515 0 40 FHAB CC1(C)C[C@@]2(CCCN2C(=O)c2cccnc2)CN1c1cccc(F)c1 1615158671 RSMSNCIIAZPTSL-NRFANRHFSA-N 353.441 3.884 0 40 FHAB FCCCN1CCc2cc(Br)c(Br)cc2C1 1647854887 VIAGPQODROTAGB-UHFFFAOYSA-N 351.057 3.929 0 40 FHAB CN(CCCNC(=O)c1ncoc1-c1ccc(F)cc1)c1ccccc1 12144644 DLCPMRGMNQFKFZ-UHFFFAOYSA-N 353.397 3.737 0 40 FHAB Cc1cc(-c2cnc(N(C)CCc3cn[nH]c3)nc2-c2cccs2)on1 12155745 QWZOYGGAILAPIW-UHFFFAOYSA-N 366.450 3.571 0 40 FHAB COCCNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 12799416 BKPVNOJMCUCRHE-UHFFFAOYSA-N 358.488 3.965 0 40 FHAB Cc1cc(-c2c[nH]nc2[C@@H]2CCCCN2C(=O)Cc2ccccc2C)on1 19237074 KPXZLVLJDNEEIA-SFHVURJKSA-N 364.449 3.978 0 40 FHAB O=C(CCCc1ccncc1)N1CC[C@@H](c2nnc(-c3cccs3)o2)C1 19344856 CIFBBOPHLAPJML-OAHLLOKOSA-N 368.462 3.532 0 40 FHAB CN1Cc2ccccc2OC2(CCC(N(C)Cc3ccccn3)CC2)C1 19590892 HTKJEVLCRUQWQS-UHFFFAOYSA-N 351.494 3.719 0 40 FHAB CCN1C(=O)S/C(=C/c2ccc(OCc3ccncc3)c(OC)c2)C1=O 6325770 XMJUBGXWCWYPPE-GZTJUZNOSA-N 370.430 3.725 0 40 FHAB CCOc1ccc(CNC(=O)N2CCC([C@H]3CCCCO3)CC2)cc1F 660597010 LKNZLFGBUINSJA-GOSISDBHSA-N 364.461 3.715 0 40 FHAB CSCc1nc2ccccc2n1CC(=O)NCC1(c2ccccc2)CC1 29986687 OZPBQUGSXVAJFM-UHFFFAOYSA-N 365.502 3.747 0 40 FHAB CCOC(=O)C1=C(N)S[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 706629 DHQHVCBGSGCNIW-CRAIPNDOSA-N 353.443 3.502 0 40 FHAB CCOC(=O)c1c(C)n(CCOc2cccc(OC)c2)c2ccc(O)cc12 1437186 MZLHEFSVKXGBQC-UHFFFAOYSA-N 369.417 3.920 0 40 FHAB O=S(=O)(c1ccccc1)N1CCN=C1SCc1ccccc1Cl 2711599 DCXNUVJOWMHVRP-UHFFFAOYSA-N 366.895 3.634 0 40 FHAB O=C(CSc1cn(Cc2ccccc2)c2ccccc12)N1CCOCC1 4059629 IPTFATWBXWSTRY-UHFFFAOYSA-N 366.486 3.641 0 40 FHAB Cc1csc2ncc(C(=O)Nc3cccc(Cl)c3Cl)c(=O)n12 4121165 XNCNTHPXSXPPDJ-UHFFFAOYSA-N 354.218 3.624 0 40 FHAB Cc1ccc(OCC(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1 5137536 YUSMRUPGUYHOPR-UHFFFAOYSA-N 370.449 3.995 0 40 FHAB COc1cccc2cc(-c3nnc(NC(=O)c4cccc(F)c4)o3)oc12 9166653 HMEJSJQUAFTWJD-UHFFFAOYSA-N 353.309 3.883 0 40 FHAB CCN1C(=O)CCc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 17289069 UXFBRZZGMATVPR-UHFFFAOYSA-N 358.825 3.657 0 40 FHAB O[C@H](c1cccs1)c1ccc(CNc2ncnc3cnccc23)s1 1775972785 VTDKQUJFJIUHRF-MRXNPFEDSA-N 354.460 3.842 0 40 FHAB Cc1ccc(NC(=O)C(=O)NCc2ccc(-c3ccco3)o2)cc1Cl 575610429 MTQYXQZCISAPFM-UHFFFAOYSA-N 358.781 3.756 0 40 FHAB Cc1cc([C@@H](O)CCNC(=O)NCc2cccc3ccccc23)c(C)o1 85562113 SUMXFOUBNHGASH-FQEVSTJZSA-N 352.434 3.973 0 40 FHAB COc1cc(C(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)ccc1C 40039800 ZAJHXNJQBZLLTC-QGZVFWFLSA-N 355.434 3.998 0 40 FHAB C[C@H](NC(=O)c1cccc(NC(N)=O)c1)c1ccc(OC(F)(F)F)cc1 40081209 NZQWQPQGJNLPIY-JTQLQIEISA-N 367.327 3.567 0 40 FHAB CCCNC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc12 2387710 FESNPRVVJNVDLB-UHFFFAOYSA-N 373.460 3.549 0 40 FHAB COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc(N)nn32)cc1 2376721 RQUYZNNFYKVHEZ-JKSUJKDBSA-N 355.829 3.669 0 40 FHAB Cc1cc(C)c2oc(C(=O)Nc3ccnn3Cc3ccccc3)cc(=O)c2c1 28402734 YVAXLDYFAKSYLF-UHFFFAOYSA-N 373.412 3.907 0 40 FHAB CCOc1ccccc1C(=O)NCc1c(C)nn(Cc2ccccc2)c1C 10903444 ABCZPHZWPNYYQN-UHFFFAOYSA-N 363.461 3.877 0 40 FHAB Cc1cccc2c1N(C(=O)c1ccc(S(=O)(=O)C(F)F)cc1)CCC2 10971557 QQUBYBWDWRBILJ-UHFFFAOYSA-N 365.401 3.584 0 40 FHAB Cc1cc(C)cc(OCC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)c1 11083397 FXCDODREBBTYBY-UHFFFAOYSA-N 363.461 3.586 0 40 FHAB COc1ccc(Cc2nnc(SC)n2-c2ccc(F)cc2)cc1OC 1323703 GFFLLDPJNNUMDZ-UHFFFAOYSA-N 359.426 3.736 0 40 FHAB CCOC(=O)[C@H](c1ccccc1)[C@@H](C(=O)OCC)c1ccc(OC)cc1 1628159 QTZVCDORJRLVES-MOPGFXCFSA-N 356.418 3.689 0 40 FHAB CCOC(=O)c1oc2ccc(CC(=O)c3ccc(O)cc3O)cc2c1C 2099820 HYXJPNQYJXGUOU-UHFFFAOYSA-N 354.358 3.755 0 40 FHAB biogenic O=C(CSc1nnc(C2CC2)n1-c1ccccc1)NCc1ccccc1 2638474 IIMYSSYOTBOXKO-UHFFFAOYSA-N 364.474 3.553 0 40 FHAB S=C(Nc1cccnc1)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 100788948 YNNDBOMTKAJCIE-HNBVOPMISA-N 368.550 3.673 0 40 FHAB biogenic C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 4073973 XZTUSOXSLKTKJQ-LGSQWSTJSA-N 374.521 3.604 0 40 FHAB biogenic Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc(O)cc1 4130209 JDIUAWROXUWWKQ-UHFFFAOYSA-N 374.853 3.572 0 40 FHAB CCC(=O)c1cc(Cl)ccc1OCC(=O)NCc1ccc(OC)cc1 6541877 UCLMSCSORYXDIG-UHFFFAOYSA-N 361.825 3.637 0 40 FHAB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccccc2OC)c(C)c1 6629962 UQCQOYKWKGDGFX-UHFFFAOYSA-N 371.506 3.977 0 40 FHAB O=C(NCc1ccccc1Cl)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 7952200 GSCBVLMMWAYLFF-MRXNPFEDSA-N 371.868 3.900 0 40 FHAB COc1cc(OC)c(NC(=O)CNc2ccccc2C(C)=O)cc1Cl 10167592 ZUYVGUNBCPQVSS-UHFFFAOYSA-N 362.813 3.610 0 40 FHAB COc1ccc(S(=O)(=O)NCCSCc2cccc(Cl)c2)cc1 8158936 NNTPWWKRRBQARE-UHFFFAOYSA-N 371.911 3.560 0 40 FHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1 8414468 VAWYQHXNNDFSNG-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc(OC)c3)ccc21 10972264 UTFAZBDJVMPELM-UHFFFAOYSA-N 368.433 3.719 0 40 FHAB CCn1c(S)nc2cc(C(=O)N[C@H](C)c3ccccc3C)ccc2c1=O 102170348 XVYPTUIAJSRFRI-CYBMUJFWSA-N 367.474 3.505 0 40 FHAB CCOC(=O)c1ccc(N2CCC(C(=O)c3cc(F)ccc3F)CC2)nc1 52325896 PLBGVIYTAZODSU-UHFFFAOYSA-N 374.387 3.636 0 40 FHAB O=C(NCCCN1c2ccccc2Sc2ccccc21)c1cnsn1 58406644 SHOCKPCAOOGFQH-UHFFFAOYSA-N 368.487 3.961 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1N[C@H](C)C(=O)N1CCc2ccccc2C1 32900810 HCNCSODAWYOCJM-QGZVFWFLSA-N 374.488 3.874 0 40 FHAB Cc1ccc([C@@H](CNC(=O)CCOc2ccc(C)c(C)c2)N(C)C)cc1 58159880 YYFAIFQQEKHYFQ-OAQYLSRUSA-N 354.494 3.800 0 40 FHAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)Cc1ccco1 21902942 HATSEMWNCVYBIR-QPRVAFDKSA-N 372.509 3.595 0 40 FHAB CN(C)C(=S)/N=c1/ss/c(=N\c2ccccc2)n1-c1ccccc1 104276729 DXNDTEDEDHZVKV-JQNBNMKOSA-N 372.544 3.580 0 40 FHAB COc1ccccc1OCC(=O)Nc1cc(C)nn1-c1ccc(C)cc1 53896522 SNEFKQQJSRIEOE-UHFFFAOYSA-N 351.406 3.515 0 40 FHAB CC1(C)C[C@@]2(C[C@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 894204 KKICBWUQDFVRIQ-RTBURBONSA-N 372.446 3.761 0 40 FHAB CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cc2ccccc2o1 12225965 LPXOQNKUDWGUAD-UHFFFAOYSA-N 367.430 3.783 0 40 FHAB CC(C)(C)CC(=O)Nc1ccccc1NS(=O)(=O)c1cccs1 23194881 XVKHGZZNIRYEEP-UHFFFAOYSA-N 352.481 3.924 0 40 FHAB COc1ccc(CNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1OC 20493723 DYJRPXIZESVBNJ-MRXNPFEDSA-N 357.450 3.713 0 40 FHAB COC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1ccccc1Cl 7989273 UBOYDRDYKFSHST-LLVKDONJSA-N 374.849 3.693 0 40 FHAB COc1ccc(OC)c(C(=O)Nc2ccc(-n3nc(C)cc3C)c(F)c2)c1 55716641 TVLHISCNJMTMPB-UHFFFAOYSA-N 369.396 3.898 0 40 FHAB Cc1ccc(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)cc1F 55986936 CAUWLQNEYJPVSJ-UHFFFAOYSA-N 363.392 3.711 0 40 FHAB Cc1cc(OCC(=O)NCc2ccccc2-n2ccnc2)cc(C)c1Cl 20044253 HQDYBGARHLZPEF-UHFFFAOYSA-N 369.852 3.838 0 40 FHAB O=C(NCc1ccccc1CN1CCCCC1)c1cc(-c2ccco2)[nH]n1 12535824 DHDKUGCWLAIFPT-UHFFFAOYSA-N 364.449 3.586 0 40 FHAB CN(C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)C1CCCC1 22534084 DOWJGQQUQHKCBV-UHFFFAOYSA-N 364.492 3.564 0 40 FHAB CCCCc1ccc(NC(=O)CSc2nnc3c(C)cc(C)nn23)cc1 27299238 MCLDGMICKQTBLP-UHFFFAOYSA-N 369.494 3.815 0 40 FHAB Cc1ccc(C)c(C(=O)CCC(=O)NC2(c3noc(C)n3)CCCC2)c1 58196137 ZIPFMQDJSHGVJW-UHFFFAOYSA-N 355.438 3.543 0 40 FHAB CCOC(=O)c1cc(NS(=O)(=O)Cc2ccc(F)cc2)ccc1Cl 20453227 KUPSCDLEJFXXBK-UHFFFAOYSA-N 371.817 3.598 0 40 FHAB COc1ccccc1CNC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 47727753 HYFFOHDRJJQIHD-UHFFFAOYSA-N 373.840 3.563 0 40 FHAB CC1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 36107305 CZEPBXOELIEUCW-INIZCTEOSA-N 369.292 3.857 0 40 FHAB Cc1ccc([C@H](CNC(=O)COc2ccc(C)c(C)c2)N2CCCC2)cc1 27795009 GHCBBXXFUNWQPH-QFIPXVFZSA-N 366.505 3.944 0 40 FHAB CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)NC1=S 409004528 BKUKPJYHYZKEDD-WJDWOHSUSA-N 372.877 3.997 0 40 FHAB CNc1ccccc1C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1 3275357 OYMYQXBSUNQGRV-UHFFFAOYSA-N 374.440 3.791 0 40 FHAB O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(Br)cc1 64611104 CTRHKHPSZMSLBF-UHFFFAOYSA-N 356.223 3.565 0 40 FHAB COc1ccccc1[C@@H]1CC(=O)c2cn3nc(-c4ccccc4)nc3nc2C1 20796504 OWKQGHKRCGZDLK-HNNXBMFYSA-N 370.412 3.713 0 40 FHAB O=C(CCn1cnc2sccc2c1=O)Nc1cc(Cl)ccc1Cl 12757974 HMRRTSOWHNXUPN-UHFFFAOYSA-N 368.245 3.794 0 40 FHAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2cc(C(N)=O)ccc2Cl)cc1 12788137 PULGGTOKEMKGLR-NSHDSACASA-N 366.870 3.753 0 40 FHAB CSc1ccc(CN(C)C(=O)CCNC(=O)Nc2ccccc2)cc1 12788731 HFKHFMRGRJSOJV-UHFFFAOYSA-N 357.479 3.579 0 40 FHAB CCc1ccc(NS(=O)(=O)c2cc(OC)c(Cl)cc2OC)cc1 8132491 DAIZIPRSJQYHBK-UHFFFAOYSA-N 355.843 3.720 0 40 FHAB CCn1c(C)cc(C(=O)CSc2nnc(-c3ccoc3C)n2C)c1C 8312010 PMTCUPDDHSTYOB-UHFFFAOYSA-N 358.467 3.797 0 40 FHAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1ccc(F)cc1N 12913783 XODUMLSXMQFUOG-UHFFFAOYSA-N 374.412 3.510 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)OC(=O)[C@H]2Cc3ccccc3S2)c(C)c1 12994419 SLMUGCCNCDRMIW-KBXCAEBGSA-N 355.459 3.891 0 40 FHAB COCCn1c(SCC(=O)N[C@H](C)c2ccccc2)nc2ccccc21 38141725 COSIPPOESYNYKX-OAHLLOKOSA-N 369.490 3.652 0 40 FHAB COc1cc(C(=O)N(C)Cc2ccc(SC)cc2)cc(OC)c1OC 3621121 WWUUWGKVZVDZHS-UHFFFAOYSA-N 361.463 3.707 0 40 FHAB O=C(Nc1ccc(Oc2cccc3cccnc23)cc1)c1ccc(=O)[nH]c1 63612805 JXNQNFBHKIGGBU-UHFFFAOYSA-N 357.369 3.968 0 40 FHAB CCOc1ccc2c(c1)S[C@H](CC(=O)Nc1ccc(OC)cc1)C(=O)N2 5009849 OANGAOCJXNZCBR-QGZVFWFLSA-N 372.446 3.536 0 40 FHAB CC(=O)NCCc1ccc(C(=O)CSc2ccc3ccccc3n2)cc1 8447865 LDKMGFHUHFKOLF-UHFFFAOYSA-N 364.470 3.888 0 40 FHAB COc1cccc([C@@H]2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)OC3)c1 5243842 WTIHFRVPZOUBNH-INIZCTEOSA-N 369.804 3.680 0 40 FHAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1cnccn1 65592250 JOIMUXVQKCCIPF-HNNXBMFYSA-N 360.417 3.562 0 40 FHAB C[C@@H]1Oc2c(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)cccc2[C@@H]1C 14183366 DOEWPCLDVJVGFT-RYRKJORJSA-N 350.462 3.575 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCCc1ccc(OC)cc1 20453635 NACVFWGGSFWGJA-FQEVSTJZSA-N 357.450 3.610 0 40 FHAB C[C@H](OC(=O)c1cc(S(N)(=O)=O)ccc1Cl)c1ccccc1Cl 14245478 NVKOQXCAYDVIPQ-VIFPVBQESA-N 374.245 3.559 0 40 FHAB O=C(CCNC(=O)Nc1ccccc1)NCc1ccc(Cl)cc1Cl 17298056 LWPHOJYPKPFVKQ-UHFFFAOYSA-N 366.248 3.821 0 40 FHAB CCOC(=O)[C@@H]1CCCN(Cc2cc3ccc(OC)cc3nc2Cl)C1 14672809 PKCCOGXLIFLDFD-CQSZACIVSA-N 362.857 3.672 0 40 FHAB O=C(NC1CC1)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 4709962 LUYQQWVWHKACAT-UHFFFAOYSA-N 352.821 3.804 0 40 FHAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3nc4ccccc4s3)C2=O)cc1 6788540 JMPLSYJHRMSZSF-LJQANCHMSA-N 351.431 3.572 0 40 FHAB COc1cccc(-n2cnnc2SCC(=O)c2ccc(F)c(F)c2)c1 4843636 YOBGQJFYYFAZLI-UHFFFAOYSA-N 361.373 3.529 0 40 FHAB CCOC(=O)Cc1csc(NC(=O)CSc2ccc(C)cc2C)n1 6916922 SAJSYFBCDBYJBW-UHFFFAOYSA-N 364.492 3.596 0 40 FHAB CCn1c(CCCCCNC(=O)Nc2ccc(C)cc2)nnc1SC 6937951 XIOALMGOOFNVOP-UHFFFAOYSA-N 361.515 3.863 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(N)n1-c1ccccc1 6966862 CVQZHODRTALUPE-UHFFFAOYSA-N 373.869 3.542 0 40 FHAB C[C@@H]1C(=O)Nc2ccc(C(=O)CSc3nc(-c4cccs4)n[nH]3)cc21 18086094 KBIGTUWRIALFOU-VIFPVBQESA-N 370.459 3.564 0 40 FHAB O=C1COc2ccc(C(=O)c3cc4cc(Br)ccc4o3)cc2N1 15566185 NKBCAJNFKFVDIS-UHFFFAOYSA-N 372.174 3.757 0 40 FHAB CCc1ccc(N2C[C@H](c3nnc(NC(=O)CC(C)C)s3)CC2=O)cc1 9198356 RCTLJGJOGBKOMD-CQSZACIVSA-N 372.494 3.606 0 40 FHAB O=C(NCCOc1ccccc1F)c1ccc(C(=O)c2ccccc2)cc1 9596611 ZTKXHEPQPXBQCB-UHFFFAOYSA-N 363.388 3.866 0 40 FHAB CCOc1ccc(CC(=O)NCc2ccc(-c3csc(C)n3)o2)cc1 9364679 GLTBBRFTKKQCLK-UHFFFAOYSA-N 356.447 3.969 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)Oc3ccccc3C)o2)cc1 20899641 HPLAXQLCCLRHDM-UHFFFAOYSA-N 356.403 3.751 0 40 FHAB C[C@H](Sc1nnc(-c2ccncc2)o1)C(=O)c1c[nH]c2ccccc12 9691564 NYIPVYWJJLZCKC-NSHDSACASA-N 350.403 3.976 0 40 FHAB Cc1nc2ccccc2n1CCNC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 89729974 ARQZRRSIRYMEQU-HZPDHXFCSA-N 353.853 3.918 0 40 FHAB COc1cc(S(=O)(=O)Nc2cccc(C(C)C)c2)ccc1NC(C)=O 9872392 FCFVPTXDKOHGNB-UHFFFAOYSA-N 362.451 3.578 0 40 FHAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCc1ccon1 72310307 XOQYFSCIXQZMIN-UHFFFAOYSA-N 363.826 3.602 0 40 FHAB C[C@H]1C[C@@H](NC(=O)COc2ccc(Cl)cc2)CCN1Cc1ccccc1 95408972 KCGKQJKCNOZBBR-LPHOPBHVSA-N 372.896 3.888 0 40 FHAB O=C(C[C@@]1(O)C(=O)N(Cc2cccs2)c2ccccc21)c1ccccc1 9925972 IXOGBNIUIYGMME-NRFANRHFSA-N 363.438 3.756 0 40 FHAB COc1ccc(/C=C/C(=O)N[C@H]2CCCc3ccccc32)c(OC)c1OC 22534644 CYASLRBELIXKPK-SZEUEKNRSA-N 367.445 3.919 0 40 FHAB CN(C)C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 30499418 SXUARMCGBUAINX-LJQANCHMSA-N 360.523 3.565 0 40 FHAB O=C(c1cnn2cccnc12)N(Cc1cccs1)C1Cc2ccccc2C1 501272383 TZFJAZSQQRELSQ-UHFFFAOYSA-N 374.469 3.601 0 40 FHAB C[C@@H](NC(=O)N[C@H](C(N)=O)C(C)(C)C)c1ccc(-c2ccc(F)cc2)cc1 540410826 DRZZNNMIQVRCPT-FZKQIMNGSA-N 371.456 3.753 0 40 FHAB COc1cccc2cc(-c3csc(NC(=O)c4nn(C)cc4C)n3)oc12 38508466 SOLFHPKRUGFEBI-UHFFFAOYSA-N 368.418 3.859 0 40 FHAB O=C(Nc1nnc(SCCN2CCCCC2)s1)c1ccccc1F 35316085 AIVOUNOKQRHONM-UHFFFAOYSA-N 366.487 3.508 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H]1COc1cccc(Br)n1 72203486 ZIQCRIREJXJFIQ-LLVKDONJSA-N 357.248 3.622 0 40 FHAB O=C(CCCN1C(=O)c2cccc3cccc1c23)NCCc1ccccc1 219450067 KCKCUOHPEOEWTB-UHFFFAOYSA-N 358.441 3.939 0 40 FHAB CS(=O)(=O)c1ccc(NC(=S)Nc2ccc(F)cc2Cl)cc1 71761763 VYSPWVUEDRPXKP-UHFFFAOYSA-N 358.847 3.692 0 40 FHAB CC(=O)N(CCc1c[nH]c2ccccc12)C1(C(=O)NC(C)(C)C)CCCC1 575443878 QARJOQLKJBHVCV-UHFFFAOYSA-N 369.509 3.786 0 40 FHAB CCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C(=O)OC)c2)CCCC1 225828526 LYFGGAOVIHBLMU-AWEZNQCLSA-N 363.454 3.938 0 40 FHAB CCc1cc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)ccc1OC 223680097 RZEANODSOUAXJU-UHFFFAOYSA-N 355.843 3.720 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)C(C)C)c2C)cc1 225204609 ZEKQKFTWUUGGMT-MRXNPFEDSA-N 374.506 3.879 0 40 FHAB COc1ccc(NC(=O)c2cc3cccc(Cl)c3oc2=O)cc1OC 226039908 RFCFOKSEZMUQEB-UHFFFAOYSA-N 359.765 3.716 0 40 FHAB Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(N(C)S(C)(=O)=O)c2)c1 225973124 FGOFOKQWVPFYNQ-UHFFFAOYSA-N 366.870 3.605 0 40 FHAB O=C([C@H]1CCC(F)(F)C1)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 330138868 IMOUKRURCMKMKN-LSDHHAIUSA-N 360.408 3.613 0 40 FHAB COc1ccc(-c2noc([C@@H](C)NCc3ccccc3)c2C(=O)O)cc1 96297092 PRDKNENIXHUKLH-CYBMUJFWSA-N 352.390 3.899 0 40 FHAB biogenic,in-vitro CNC(=O)c1sc2nc([C@@H]3CCCN3Cc3ccccc3)ccc2c1N 257330864 XQIQNNYQANXSIA-INIZCTEOSA-N 366.490 3.575 0 40 FHAB CC(=O)NCc1cccc(-c2cccnc2C(=O)N[C@H](C)c2ccccc2)c1 257284243 PBWAIDJNGCPMJD-MRXNPFEDSA-N 373.456 3.876 0 40 FHAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[C@@H]2N(C)CCC[C@@]21C 257330361 XOAULSCAHMIOQW-JXFKEZNVSA-N 370.522 3.602 0 40 FHAB O=C(c1ccc2nsnc2c1)N1CCC(CSc2ccccn2)CC1 90608060 PIWVLAZAQDEZJY-UHFFFAOYSA-N 370.503 3.731 0 40 FHAB Cc1cnn(C)c1C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 1124414073 YZKOMRODCJNMCR-GOSISDBHSA-N 358.445 3.772 0 40 FHAB COc1ccccc1OCC(=O)N1CCCC[C@H]1CSC(C)(C)C 390831154 QDMMLIXYCDRNGS-HNNXBMFYSA-N 351.512 3.987 0 40 FHAB Cc1cc(C)nc(O[C@H]2CCN(C(=O)c3cc4ccccc4s3)C2)n1 390829465 ZEXIYZLIPZEVNH-HNNXBMFYSA-N 353.447 3.602 0 40 FHAB COc1cccc(C2(NC(=O)NCc3ccc4c(n3)CCCC4)CCC2)c1 664765370 WJNZDOWPLNUMME-UHFFFAOYSA-N 365.477 3.848 0 40 FHAB COc1ccccc1CN1CC2(C[C@H](OCc3cccc(C)n3)CS2)C1 585105168 PKAYGGIHMNIWEM-IBGZPJMESA-N 370.518 3.675 0 40 FHAB O[C@@H]1[C@@H](NCCc2ccc(Cl)cc2)CCC[C@H]1Oc1ccccc1F 585290065 RGEOSOPNBIBHAO-DFQSSKMNSA-N 363.860 3.972 0 40 FHAB COCC(=O)Nc1ccc(Nc2nc3cc(C)nn3c3ccccc23)cc1 45726101 JHBAWZJHSNZEPM-UHFFFAOYSA-N 361.405 3.519 0 40 FHAB CC(C)(C)c1nc2cc(NC(=O)C[C@@]3(C(=O)O)CCSC3)ccc2o1 64610847 SVCXUBOATSHLKZ-SFHVURJKSA-N 362.451 3.662 0 40 FHAB Cc1c(NC(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)cccc1N(C)C 654028892 NIRYTWLFSLXFSU-IUODEOHRSA-N 359.392 3.683 0 40 FHAB Cc1cnc(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)cn1 1615158072 QCRYWCVMTTVVEE-NRFANRHFSA-N 368.456 3.588 0 40 FHAB CC(C)CS(=O)(=O)N1CC2(CCN(C3CCCCC3)CC2)CC1(C)C 1615192323 UAPHSZGLQJNGKG-UHFFFAOYSA-N 370.603 3.871 0 40 FHAB CN1C(=O)/C(=C\c2ccc3c(c2)OCO3)c2cc(Br)ccc21 6078647 ZYVBSLGPRCJQQD-MLPAPPSSSA-N 358.191 3.695 0 40 FHAB COc1ccc(/C=C2\N=C(c3ccccc3Br)OC2=O)cc1 1505936 HXVPQSDGTARTQP-GDNBJRDFSA-N 358.191 3.802 0 40 FHAB COc1cc(OC)cc(OC(=O)/C=C/c2ccc(OC(F)F)cc2)c1 6151769 OQKSBRYXUSHGBN-VMPITWQZSA-N 350.317 3.924 0 40 FHAB Cc1ccc(C)c(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c1 5439694 PNQXXHHXEOMWRW-UHFFFAOYSA-N 372.490 3.794 0 40 FHAB CCOc1ccc(CNS(=O)(=O)c2cc(C)ccc2C)cc1OCC 14233806 ZAGSWYFUXUWXLO-UHFFFAOYSA-N 363.479 3.579 0 40 FHAB C/C=C/c1ccc(OCC(=O)Nc2nnc(CC(C)C)s2)c(OC)c1 14380207 ANXLVWVPFJNZKT-AATRIKPKSA-N 361.467 3.796 0 40 FHAB O=C(Nc1cccc(-n2cnnn2)c1)c1ccccc1Cc1ccccc1 14393047 UQECPUIDNLWHJA-UHFFFAOYSA-N 355.401 3.505 0 40 FHAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1C 15439329 IORFZQGJVNKUCJ-UHFFFAOYSA-N 372.490 3.649 0 40 FHAB COc1ccccc1OCCNC(=O)CSc1ccc(Cl)cc1 18187929 QKKNJDYZNJPFMD-UHFFFAOYSA-N 351.855 3.636 0 40 FHAB CCc1noc(CC)c1C(=O)N1CCC[C@@H](c2cc3ncccc3[nH]2)C1 19521318 OQNRTBBBWUUERS-CYBMUJFWSA-N 352.438 3.696 0 40 FHAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CC1CCN(C2CCCCC2)CC1 19748306 DOJDGZNGTAAIHC-INIZCTEOSA-N 374.573 3.519 0 40 FHAB CN(C)c1ccc(CCNC(=O)CC2CCN(C3CCCCC3)CC2)cc1 19748587 HKELCWIAMXLTQN-UHFFFAOYSA-N 371.569 3.846 0 40 FHAB CNC1CCC2(CC1)CN(C(=O)c1ccc(C)s1)Cc1ccccc1O2 19217068 BHKSXOUZCCNJED-UHFFFAOYSA-N 370.518 3.992 0 40 FHAB Cc1nn(C)c2sc(C(=O)Nc3cc4c(cc3Cl)OCCO4)cc12 9807385 GYQMLDBUDANGSV-UHFFFAOYSA-N 363.826 3.620 0 40 FHAB CC(C)(C)c1cn2nc(C(=O)Nc3cccc(-c4cc[nH]n4)c3)ccc2n1 1889022082 KHMYAWBDJMZARD-UHFFFAOYSA-N 360.421 3.669 0 40 FHAB CCc1ccc([C@@]2(O)CN(c3ccccc3OC)C3=[N+]2CCCC3)cc1 2966224 JQNONFBIMJBOPM-QFIPXVFZSA-N 351.470 3.518 0 40 FHAB COc1ccc(-c2nnc(NC(=O)c3ccc(Cl)s3)o2)cc1OC 5372403 RPSVGQUWGWDVHW-UHFFFAOYSA-N 365.798 3.721 0 40 FHAB O=C(Cc1ccccc1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 15880240 ULNIXDJXVAENDT-UHFFFAOYSA-N 363.486 3.883 0 40 FHAB Cc1ccc(-c2cc(CNC(=O)/C=C\c3ccc4c(c3)OCO4)no2)cc1 17051443 PMZWQNDTPCZXDY-UITAMQMPSA-N 362.385 3.708 0 40 FHAB CC(C)n1nc(Cn2cccc2)c2c1CN(C(=O)[C@H]1CC[C@H](C)CC1)C2 2055718007 UDOCLJIEVRKPTI-QAQDUYKDSA-N 354.498 3.982 0 40 FHAB Cc1nc2sc([C@@H](c3ccc(F)cc3)N3CCC(C)CC3)c(O)n2n1 23157458 PZFVMGYVOUXPFM-OAHLLOKOSA-N 360.458 3.765 0 40 FHAB Cc1ccc(OCCC(=O)Nc2ccccc2N2CCCC2=O)cc1C 40060274 NDQUCPWVOVPFLK-UHFFFAOYSA-N 352.434 3.838 0 40 FHAB O=C(CCNC(=O)c1ccc(F)cc1Cl)NCCC1CCCCC1 40133581 XQTMEEIAQRWETI-UHFFFAOYSA-N 354.853 3.686 0 40 FHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2ccnc2C)cc1 30696211 YQKJYBOVJJKKQN-NRFANRHFSA-N 374.444 3.578 0 40 FHAB CCOC(=O)C1=C(N)S[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 706631 DHQHVCBGSGCNIW-QAPCUYQASA-N 353.443 3.502 0 40 FHAB O=C(NC[C@H]1CCCO1)c1csc(Nc2cccc3ccccc23)n1 819411 FJCYPDFJUKXMTC-CQSZACIVSA-N 353.447 3.949 0 40 FHAB CCOC(=O)c1cc2c(nc1NC(=S)Nc1ccccc1)CCCC2 870355 VPRJPIJRYIXAAN-UHFFFAOYSA-N 355.463 3.946 0 40 FHAB CCOc1cc(NC(=O)C(C)C)c(OCC)cc1NC(=O)c1ccco1 919887 VZQNWTTZUBEMBF-UHFFFAOYSA-N 360.410 3.924 0 40 FHAB COc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)c2ccccc2N3)c1 2958730 DEPGIJJSARXEFF-UHFFFAOYSA-N 373.412 3.935 0 40 FHAB O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1N1CCCCC1 3042865 NDCUBFWWTHTPPT-UHFFFAOYSA-N 358.419 3.758 0 40 FHAB COc1cnc(-c2ccccc2)nc1N1CCN(c2ccccc2F)CC1 4050213 FPHSYSHHWQGGHZ-UHFFFAOYSA-N 364.424 3.618 0 40 FHAB C[C@H]1C[C@@H](c2ccccc2)n2ncnc2N1C(=O)c1cccc(Cl)c1 4732699 CQCNMYANXOXKSD-GUYCJALGSA-N 352.825 3.960 0 40 FHAB CC[C@H](C)c1ccc(NC(=O)COC(=O)c2n[nH]c3ccccc23)cc1 4825118 HPMHDUFKMBWNJU-ZDUSSCGKSA-N 351.406 3.872 0 40 FHAB CCN(c1ccc(NC(=O)COC(=O)/C=C/c2ccco2)cc1)C(C)C 4882301 ZZDFYPVTKSPTPO-VAWYXSNFSA-N 356.422 3.709 0 40 FHAB CCCSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1CC 5311116 HTYYXEJGWKNFLW-UHFFFAOYSA-N 367.540 3.733 0 40 FHAB O=C(Nc1ccccc1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 5439433 RUYDKDKUYSAFDS-UHFFFAOYSA-N 364.854 3.522 0 40 FHAB O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)c(F)c1F 5602696 MDQGIOODYPOUTG-UHFFFAOYSA-N 371.258 3.803 0 40 FHAB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)N[C@@H]1CCCc2ccccc21 6097911 GTVYRZNWCQMVOF-RHSMWYFYSA-N 370.522 3.679 0 40 FHAB COC(=O)c1sc2nc(/C(Cl)=C/c3ccsc3)[nH]c(=O)c2c1C 6210789 JWFLMYSJABZIAS-UITAMQMPSA-N 366.851 3.878 0 40 FHAB N=C1N=C(N)c2cc3c(cc21)SCCSCCCSCCS3 6499928 IIZQCRSULFFRRD-UHFFFAOYSA-N 369.606 3.785 0 40 FHAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 6545397 BLRQLFVQIXCEES-AWEZNQCLSA-N 362.832 3.595 0 40 FHAB Cc1ccc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)c(Cl)c1 6553223 BCSQODUSUNGIFJ-UHFFFAOYSA-N 355.825 3.846 0 40 FHAB CCN(Cc1ccccc1)C(=O)COC(=O)c1ccc2ncsc2c1 6788626 CKQQDRJSFAVDFK-UHFFFAOYSA-N 354.431 3.502 0 40 FHAB COc1ccccc1NC(=O)c1ccc(NC(=O)c2cccc(N)c2)cc1 7468482 ADBDWCCFIGURCZ-UHFFFAOYSA-N 361.401 3.782 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)c1 7780848 GPUYTECNJWBBPK-INIZCTEOSA-N 365.433 3.779 0 40 FHAB CCCn1c(SCC(=O)N(C)c2ccccc2)nc2ccccc2c1=O 8195316 GVSGUHVEENFDBG-UHFFFAOYSA-N 367.474 3.562 0 40 FHAB CN(Cc1ccccc1N1CCCC1)C(=O)c1cc(-c2ccccc2)[nH]n1 8342116 FRKPQUOMZSYIDO-UHFFFAOYSA-N 360.461 3.949 0 40 FHAB COc1ccc(-c2cc(C(=O)O)c3c(-c4ccco4)noc3n2)c(OC)c1 8342592 OQAYQALJMZTYSI-UHFFFAOYSA-N 366.329 3.865 0 40 FHAB O=C1c2ccccc2N[C@@]2(C(=O)Nc3ccc(F)cc32)N1c1ccccc1 8428561 WHNAOWADPNVTPP-OAQYLSRUSA-N 359.360 3.703 0 40 FHAB O=C(CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12)N1CCCC1 9189907 NDKWAOJKLLGFGY-JOCHJYFZSA-N 373.456 3.726 0 40 FHAB O=C(Nc1cccc(F)c1)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 9486093 WXCPUCNXACQNSZ-HNNXBMFYSA-N 365.408 3.798 0 40 FHAB CC(C)n1ncc2cc(C(=O)NCc3ccccc3OC(F)F)cnc21 10115216 IGMOEBWGJUKKTJ-UHFFFAOYSA-N 360.364 3.544 0 40 FHAB COc1cccc(-c2cc(C(=O)O)c3nc(-c4ccccc4)[nH]c3n2)c1O 11694708 RLHRVOXNHGAWHK-UHFFFAOYSA-N 361.357 3.704 0 40 FHAB CC(=O)Nc1ccc(CNc2n[nH]c3nc(C)cc(C(F)(F)F)c23)cc1 12115913 DBOZWMFPSPWVOE-UHFFFAOYSA-N 363.343 3.856 0 40 FHAB Cc1cc2nc(C3CCN(CC[C@@H](C)c4ccccc4)CC3)cc(N)n2n1 12121562 XCOBFKSDJJXMEF-MRXNPFEDSA-N 363.509 3.993 0 40 FHAB CCN(CC)c1ccc(NC(=O)[C@@H](C)n2c(=O)oc3ccccc32)cc1 12542261 XHAFXQFDEXDZDE-CQSZACIVSA-N 353.422 3.640 0 40 FHAB O=C(CCc1nc2ccccc2s1)Nc1nc(CN2CCCC2)cs1 12786796 LPPFGGMUPATZMG-UHFFFAOYSA-N 372.519 3.920 0 40 FHAB O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1cccc(OC(F)F)c1 12862520 IOYHLLLMPODNQV-UHFFFAOYSA-N 360.360 3.567 0 40 FHAB O=C1NC2(CCCCCC2)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 12998383 BAXREVHEFCZYNO-UHFFFAOYSA-N 356.344 3.730 0 40 FHAB COc1cc(C)c(CN(C)CCC(=O)Nc2ccccc2F)cc1OC 13013452 DSKQPEJPWLUAQN-UHFFFAOYSA-N 360.429 3.612 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(C(=O)O)cc1 13092444 GXCKCGNMNIHPBY-JTQLQIEISA-N 368.216 3.775 0 40 FHAB O=C(O)c1ccc(Cl)c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c1 13167620 SNMQRFXLSALOON-UHFFFAOYSA-N 365.641 3.986 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)c1ccccc1I 13647184 QITIBOOEOUYRPO-NSHDSACASA-N 363.198 3.883 0 40 FHAB O=C(COC(=O)c1cc(Cl)c[nH]1)N[C@@H](c1ccccc1)c1cccs1 14092843 MXIQLZVVHFXZRR-KRWDZBQOSA-N 374.849 3.792 0 40 FHAB CCc1ccc([C@@H](C)NC(=O)CNCCOc2ccc(Cl)cc2)cc1 16046919 URZWWRGEIRBYQO-OAHLLOKOSA-N 360.885 3.748 0 40 FHAB CCC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C/C1=C\C(=O)OCC 17061363 LFZYBLRISRNIIY-OHZRUPMASA-N 373.493 3.913 0 40 FHAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3cccc(C)c3)cc21 17286624 LCCGVHZCOCOKNX-UHFFFAOYSA-N 372.490 3.740 0 40 FHAB C[C@H](C(=O)N1CCC[C@@H](COc2ccccc2F)C1)n1cc(Cl)cn1 19078251 MPWVCQUTRREFPD-ZIAGYGMSSA-N 365.836 3.554 0 40 FHAB CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccn2)C1 19081976 JZQPUGTZEMYQPR-YLJYHZDGSA-N 366.509 3.592 0 40 FHAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)[C@H](C)Cn2ccnc2C)n1 19240118 KPCSDJINZPLHGE-MLGOLLRUSA-N 374.535 3.754 0 40 FHAB Cn1cc(CN(Cc2ccccn2)C[C@@H]2CCCO2)c2cc(F)ccc21 19290341 ZIQYEMUWTSRNPA-IBGZPJMESA-N 353.441 3.894 0 40 FHAB CCC(=O)N1CC[C@@](Cc2ccc(-c3ccsc3)cc2)(C(=O)N(C)C)C1 19498424 FBVSCPXPJVEOFL-NRFANRHFSA-N 370.518 3.675 0 40 FHAB CCC(=O)N1CC[C@@](Cc2cccc(-c3ccccc3)c2)(C(=O)N(C)C)C1 19498440 XHGGRKWGZJZYFV-QHCPKHFHSA-N 364.489 3.613 0 40 FHAB CCN1CCC[C@@H]1CN(CC1=Cc2ccccc2OC1)Cc1ccncc1 19527209 AAFPQTYXLAXXPI-JOCHJYFZSA-N 363.505 3.844 0 40 FHAB COc1cccc(C(=O)N2CCC[C@@H](c3cc4ncccc4[nH]3)C2)c1OC 19567281 QOZIRTDUFKESHW-CQSZACIVSA-N 365.433 3.600 0 40 FHAB CCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccccc1OC 20029959 ANXZJFHKPRJIEE-LBPRGKRZSA-N 369.870 3.787 0 40 FHAB CC[C@H](Oc1ccccc1C)C(=O)NCc1ccccc1-n1ccnc1C 20111244 IUPSXUZNNZXSMX-FQEVSTJZSA-N 363.461 3.963 0 40 FHAB O=C(NCCCc1ccc(Cl)cc1)c1ccc(CN2CCCC2=O)cc1 20492143 KEILXDATBDLRGJ-UHFFFAOYSA-N 370.880 3.825 0 40 FHAB Cc1nc(N2CCN(c3ccc(Cl)cc3)CC2)nc2c1C(=O)C[C@@H](C)C2 20672645 DSGQIQPNDMRBMN-ZDUSSCGKSA-N 370.884 3.530 0 40 FHAB COc1ccccc1CNc1ncccc1C(=O)NCCc1ccccc1 22072261 VWAIWVNQEWKZOS-UHFFFAOYSA-N 361.445 3.675 0 40 FHAB Cn1c(SC[C@H]2CC2(Cl)Cl)nc2sc3c(c2c1=O)CCC3 22481821 ILJDAHBIOKKGDR-SSDOTTSWSA-N 361.319 3.770 0 40 FHAB Cc1cc(=O)n2nc(N[C@H](C)c3ccc(Cl)cc3Cl)sc2n1 24981048 JCMNQUUOERBIQS-MRVPVSSYSA-N 355.250 3.939 0 40 FHAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc2[nH]c3c(c2c1)CCCC3 25983872 QVHPYNGLXJAQRX-OAHLLOKOSA-N 362.429 3.617 0 40 FHAB C[C@@H](NC(=O)NCc1ccnc(N2CCCC2)c1)c1ccc(Cl)cc1 26303465 RIYARLZMNZTGFH-CQSZACIVSA-N 358.873 3.896 0 40 FHAB CC(C)c1ccccc1NC(=O)[C@H](C)N(C)Cc1ccc2c(c1)OCO2 27543342 SSWHAYXRCZOWSU-HNNXBMFYSA-N 354.450 3.998 0 40 FHAB COc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1Cl 27663904 YPLQKMYDQAHHMP-OAHLLOKOSA-N 364.898 3.977 0 40 FHAB Cc1ccc(F)cc1NC(=O)COC(=O)Cc1c(F)cccc1Cl 28783735 MDZFYALTWWIWFP-UHFFFAOYSA-N 353.752 3.651 0 40 FHAB CC1(C)Cc2cccc(OCC(=O)Nc3ccc(-n4cccn4)cc3)c2O1 32241621 JSOQBQCLXMRYSC-UHFFFAOYSA-N 363.417 3.603 0 40 FHAB COc1ccc(Cn2nccc2NC(=O)Cc2ccc(Cl)cc2)cc1 32593716 CQZLSZKYLPOFCQ-UHFFFAOYSA-N 355.825 3.775 0 40 FHAB Cc1cccc(N[C@H]2CCc3c2[nH]c(=O)n(C2CCCCC2)c3=O)c1C 32603986 VKLJGFUGCIOKKO-SFHVURJKSA-N 353.466 3.758 0 40 FHAB CCc1oc2ccccc2c1CN(C)C(=O)Cc1cn2ccsc2n1 32778192 VXHJFKMXXIZAAH-UHFFFAOYSA-N 353.447 3.906 0 40 FHAB COC(=O)c1cc(NC(=O)c2cc(-c3ccc(C)cc3)no2)c(F)cc1F 32833481 AFZVRNVEVGWUMC-UHFFFAOYSA-N 372.327 3.967 0 40 FHAB Cc1nc(COc2cccc(/C=C/C(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cs1 32876644 GQTGKOLOMQNZOS-FHFZEBMASA-N 372.490 3.680 0 40 FHAB Cc1ccccc1CC(=O)NCCCNc1ccc(C(F)(F)F)cn1 32911968 VDGQNRSPHLZWHU-UHFFFAOYSA-N 351.372 3.570 0 40 FHAB COc1ccc(Cl)cc1C(=O)N1CCC(c2nnc(C(C)C)o2)CC1 35597639 KUFYYZMLRYRNQW-UHFFFAOYSA-N 363.845 3.875 0 40 FHAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCN(c2ccc(F)cc2)CC1 35848175 NNIKWDPJCSQAMG-HNNXBMFYSA-N 351.425 3.700 0 40 FHAB O=C1C[C@H](Nc2cccc(Cl)c2Cl)C(=O)N1c1cccc(F)c1 36635743 JBWFUTBMXRRVAA-ZDUSSCGKSA-N 353.180 3.877 0 40 FHAB CCCCCCNC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 36703478 LAUOJDSTXRROCM-RQJZOYDLSA-N 360.542 3.890 0 40 FHAB O=C(COc1ccccc1)N1CCc2nc(-c3cccc(F)c3)sc2C1 36752092 XXUYBZFJIBXAEM-UHFFFAOYSA-N 368.433 3.913 0 40 FHAB O=C(c1csc(-n2cccc2)n1)N1CCN(c2ccccc2Cl)CC1 38490423 UFVJQAFKHXRDDD-UHFFFAOYSA-N 372.881 3.550 0 40 FHAB COC(=O)c1cc(OCc2cccc(OC)c2)c2cc(OC)ccc2n1 38652176 KYAGQRPQJSIFTA-UHFFFAOYSA-N 353.374 3.618 0 40 FHAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCc1ccc(OC)c(OC)c1 44884563 FJNQKKDNIQLITD-GOSISDBHSA-N 357.450 3.529 0 40 FHAB C[C@H](CNC(=O)Nc1cccc(Cn2ccnc2)c1)N(C)c1ccccc1 48354513 VUYJZTOKBTYQPA-QGZVFWFLSA-N 363.465 3.578 0 40 FHAB O=C(N[C@@H](c1cccs1)C1CCCC1)c1cccc(N2CCNC2=O)c1 48362548 SIJLZZOIUMJGGB-GOSISDBHSA-N 369.490 3.939 0 40 FHAB Cc1ccc(-c2noc([C@@H](C)N3CCN(CCC(C)C)CC3)n2)cc1F 48366496 LUNABOSJJPCHRV-MRXNPFEDSA-N 360.477 3.909 0 40 FHAB Cc1ccc2nc(NC(=O)CC3(Cn4cnnn4)CCCCC3)sc2c1 49548192 KCBUAEHUEIJFIX-UHFFFAOYSA-N 370.482 3.571 0 40 FHAB CC(C)(C)CC(=O)NCC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 53310755 SFZODALVRWATNS-FQEVSTJZSA-N 364.489 3.713 0 40 FHAB CS(=O)(=O)Cc1ccc(CNCc2cccc(OC3CCCC3)c2)cc1 54808968 RXIALTIHYAVWIC-UHFFFAOYSA-N 373.518 3.842 0 40 FHAB COc1cccc([C@H](CNC(=O)N(C)[C@H](C)c2ccc(F)cc2)N(C)C)c1 54920953 DTFYVCJYJONCRC-QRWLVFNGSA-N 373.472 3.840 0 40 FHAB CCc1ccc(-c2nc3cc(N4C[C@@H](C(=O)OC)CC4=O)ccc3o2)cc1 57327362 CHSWMQANXLRDJE-HNNXBMFYSA-N 364.401 3.583 0 40 FHAB COCCn1cc(C(=O)N2CCC[C@@H]2c2cc(C)on2)c2ccccc21 57431007 OAUHGICQSAAYLW-LJQANCHMSA-N 353.422 3.561 0 40 FHAB CCCC[C@@H](c1nnnn1C(C)C)N1CCN(c2cc(C)ccc2C)CC1 57670184 ZGKXRILWFNZSHA-IBGZPJMESA-N 370.545 3.924 0 40 FHAB COc1ccc([C@@H](CNCc2ccccc2Cl)N2CCOCC2)cc1 57681585 YJAJBGANORDIEV-HXUWFJFHSA-N 360.885 3.512 0 40 FHAB Cc1ccc(-c2ccsc2C(=O)N2CCN(C[C@@H]3CCCO3)CC2)cc1 57818754 KRHRWVZJKPJWND-SFHVURJKSA-N 370.518 3.660 0 40 FHAB C[C@H](NCC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1ccccc1 58137320 XJABFZDAAYDPJX-INIZCTEOSA-N 365.477 3.648 0 40 FHAB CCC(=O)Nc1ccc([C@H](C)NC(=O)N(C)Cc2csc(C)n2)cc1 58213708 DYRWGZJWRIMGDP-LBPRGKRZSA-N 360.483 3.703 0 40 FHAB CCCN1C(=O)c2ccc(Cl)cc2N[C@]12C(=O)Nc1c(C)cccc12 58391511 WHPDBWYXVMHLIJ-IBGZPJMESA-N 355.825 3.731 0 40 FHAB CCN(Cc1cccs1)C(=O)NCc1ccnc(OCC(F)(F)F)c1 59303448 OYADZJCARXSZQX-UHFFFAOYSA-N 373.400 3.816 0 40 FHAB CCc1nc2cc3c(cc2n1CC(=O)Nc1ccc(C)c(C)c1)OCCO3 64795128 RGJASVLSPCOFKC-UHFFFAOYSA-N 365.433 3.625 0 40 FHAB C[C@@H](NC(=O)C(=O)Nc1cnc2ccccc2c1)c1ccc2c(c1)CCCC2 70795060 MCRJXDABTCKPQY-OAHLLOKOSA-N 373.456 3.930 0 40 FHAB COc1c(C)cc([C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C(=O)O)cc1C 72233818 LELVUHMHGRFSDU-HZPDHXFCSA-N 363.454 3.880 0 40 FHAB COc1ccc(CCC(=O)NCCc2nc3cc(Cl)ccc3n2C)cc1 72275330 VBVJFNIVCABQNH-UHFFFAOYSA-N 371.868 3.527 0 40 FHAB Cc1oc(-c2cccs2)nc1C(=O)N1CCOC[C@@H]1c1ccccc1 72303764 VGOHEXIIKHCCQX-OAHLLOKOSA-N 354.431 3.925 0 40 FHAB Fc1ccccc1Oc1cncc([C@@H]2CCCN(Cc3ncc[nH]3)C2)n1 72362998 WYQSIBXTEVDMRM-CQSZACIVSA-N 353.401 3.511 0 40 FHAB COc1cccc2cc(C(=O)NC[C@@](O)(c3cccs3)C3CC3)oc12 75155318 OBMVNXXAMNPGIL-IBGZPJMESA-N 357.431 3.531 0 40 FHAB CCOc1ccc([C@@H](N)c2n[nH]c(-c3cccc(Cl)c3)n2)cc1OCC 95534519 VGIWJJBKRYTUCH-QGZVFWFLSA-N 372.856 3.971 0 40 FHAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1cccc2c1OCO2 97082872 KHWUDQHVPHOMMK-UHFFFAOYSA-N 356.378 3.859 0 40 FHAB Clc1ccc(-n2cc(CNc3nncn3-c3ccccc3)cn2)cc1 97102606 QBKAPKIROCYZIH-UHFFFAOYSA-N 350.813 3.719 0 40 FHAB C[C@H]1c2cccn2CCN1CC(=O)N[C@H](c1ccccc1)c1cccs1 102537373 BRFFVOUIJCKQQV-HRAATJIYSA-N 365.502 3.832 0 40 FHAB O=C(NCC[C@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1ccc2oc(C3CC3)nc2c1 107333420 LERAYAJLPJCJLB-QEJZJMRPSA-N 367.449 3.586 0 40 FHAB O=C(NC1CCN(c2nc(-c3cccnc3)cs2)CC1)[C@@H]1CC=CCC1 206985651 ORRGICRONGVRMX-OAHLLOKOSA-N 368.506 3.646 0 40 FHAB Cc1cc(C)c(C)c(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 218965976 UQGLBHZLSLKCAQ-UHFFFAOYSA-N 372.896 3.993 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC(C)(C)C)cc2C)cc1 224203733 GETNJZZWHRGQOE-UHFFFAOYSA-N 374.506 3.657 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 224740748 SBXFYHJMDAVHAK-IBGZPJMESA-N 366.505 3.789 0 40 FHAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C)c1 225048281 XZTBDSHYIJRSMB-ZDUSSCGKSA-N 356.447 3.623 0 40 FHAB COc1cc(NC(=S)NC(c2ccccc2)c2ccccc2)ncn1 225183489 WJEQJKFVYSZCAR-UHFFFAOYSA-N 350.447 3.561 0 40 FHAB O=S(=O)(NCc1ccnc(-c2ccsc2)c1)c1ccccc1Cl 225757843 BCOBNAKCZAEFFA-UHFFFAOYSA-N 364.879 3.942 0 40 FHAB C[C@H]1CN(C)CC[C@H]1CCc1ccc(NC(=O)c2n[nH]c3c2CCC3)cc1 253603526 ZDJXYZAJHDCBSI-DOTOQJQBSA-N 366.509 3.671 0 40 FHAB CCC(CC)[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(=O)CCOC 257205010 AXFKTNUWFFPXHD-HGNHLGAKSA-N 351.531 3.785 0 40 FHAB CN(C)c1nc([C@@H]2CCCCN2C(=O)Cc2cccs2)cn2cccc12 257211430 BYVBGGCDUVYFBZ-KRWDZBQOSA-N 368.506 3.758 0 40 FHAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C2CCCCC2)CC1 257266883 MEZNJWCOFVCNMG-WFXMLNOXSA-N 371.525 3.762 0 40 FHAB Cc1ccc(Nc2nc([C@H]3CCCN3Cc3cn(C)cn3)cs2)nc1 257338497 YXRLTBPVQMUSGU-MRXNPFEDSA-N 354.483 3.661 0 40 FHAB Cn1ccc2c1CN(C(=O)c1ccco1)Cc1cn(Cc3ccccc3)nc1-2 306133312 MIAKDRIZGZGYQN-UHFFFAOYSA-N 372.428 3.686 0 40 FHAB CCc1ncnc(O[C@@H]2CCN(C(=O)Nc3ccccc3Cl)C2)c1F 390828093 OOUODFYCEDSGLZ-LLVKDONJSA-N 364.808 3.517 0 40 FHAB O=C(C(=O)N1CCCC1)c1cn(Cc2ccccc2F)c2ccccc12 408566247 FEJLZWOZNMJAJV-UHFFFAOYSA-N 350.393 3.634 0 40 FHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCCCCC1 408584797 VGCMBSRUOBOSLB-UHFFFAOYSA-N 373.478 3.895 0 40 FHAB COc1ccc([C@@H]2CCCCCN2C(=O)N=c2cc3ccccn3[nH]2)cc1 558468973 KMYIPWBLGNJCDP-IBGZPJMESA-N 364.449 3.914 0 40 FHAB c1cc(-c2noc(CC(C3CCC3)C3CCC3)n2)cc(N2CCOCC2)n1 624479376 XAGQPOCVZSSKRE-UHFFFAOYSA-N 368.481 3.727 0 40 FHAB Cc1nnc(CN(C)C(=O)Nc2c(Cl)ccc3c2OC(C)(C)C3)s1 666999711 GDMVXORXEAVMOX-UHFFFAOYSA-N 366.874 3.877 0 40 FHAB Cc1ccc(Oc2cccc(NC(=O)NCc3cnnn3C)c2)c(C)c1 1673817621 NTRPARDDFWJCJV-UHFFFAOYSA-N 351.410 3.546 0 40 FHAB O=C(C1CC(F)(F)C1)N1CC[C@]2(COc3ccc(-c4cccnc4)cc32)C1 2055793315 OBUWZNDDSJHFSF-HXUWFJFHSA-N 370.399 3.656 0 40 FHAB CCCc1noc(CCC(=O)Nc2ccc(OC)c(OC3CCCC3)c2)n1 24509279 KUXYNPOOILETGN-UHFFFAOYSA-N 373.453 3.923 0 40 FHAB CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NC)cc2c1 884445 VQEAMZFLPXPGDQ-UHFFFAOYSA-N 371.531 3.659 0 40 FHAB CN1C(=O)CN=C(c2ccccc2Br)c2cc(Cl)ccc21 1482535 WUTJPRTZNGDZKD-UHFFFAOYSA-N 363.642 3.916 0 40 FHAB CCOC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3nc(C)cs3)coc2c1 1508906 ZRHLPGYJEGITCS-NSHDSACASA-N 359.403 3.555 0 40 FHAB biogenic Cc1nc2cc(Nc3ncnc4c3cnn4C)ccc2n1-c1ccccc1 12628532 SQSWWVDWICLXQK-UHFFFAOYSA-N 355.405 3.754 0 40 FHAB COc1ccc(NC(=O)N(C)Cc2ccc(Cl)cc2)cc1NC(C)=O 44033779 SLWSDCKDEWWNTR-UHFFFAOYSA-N 361.829 3.971 0 40 FHAB O=C(NCc1ccccc1)c1cccc(CS(=O)(=O)c2ccccc2)c1 107842189 FNYGRXCQOWPNDK-UHFFFAOYSA-N 365.454 3.591 0 40 FHAB CCCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)O[C@H]1CCC[C@@H]1C 4426845 JWQQUJWYUWFDMB-IYJAJMOOSA-N 372.465 3.835 0 40 FHAB COc1ccccc1CCNC(=O)c1ccc(COc2ccccc2)o1 26375328 RDSIDXPEIWFEOX-UHFFFAOYSA-N 351.402 3.840 0 40 FHAB Cc1ccc(C(=O)CSc2nnc(-c3ccccc3N)n2C)cc1C 4856629 KRSPVOYQYAXOBD-UHFFFAOYSA-N 352.463 3.656 0 40 FHAB CCc1ccc(NC(=O)CSc2ccc(-c3ccccn3)nn2)cc1 6859345 QJSRROFRHIPBLV-UHFFFAOYSA-N 350.447 3.832 0 40 FHAB Cc1ccccc1-n1ccnc1SCC(=O)Nc1ccc2c(c1)OCO2 7282314 AREDFXMILYZSCO-UHFFFAOYSA-N 367.430 3.640 0 40 FHAB CN(CCCc1ccccc1)CC(=O)Nc1ccc(N2CCCC2)cc1 52802626 FCBTZOWUEIDWEY-UHFFFAOYSA-N 351.494 3.790 0 40 FHAB CCC(=O)N1c2ccccc2[C@@H](N(c2ccccc2)S(C)(=O)=O)C[C@@H]1C 10153290 RDPIDGCTNHUHQP-KXBFYZLASA-N 372.490 3.729 0 40 FHAB C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCC[C@@H](C(F)(F)F)C1 12690623 ITFPDEYLDGDYGA-VXGBXAGGSA-N 366.391 3.533 0 40 FHAB CCc1nnc2sc(-c3cccc(NC(=O)c4cccc(F)c4)c3)nn12 8071485 DSIVILIAGGYOFU-UHFFFAOYSA-N 367.409 3.807 0 40 FHAB C[C@H]1CCCN(Cc2ccccc2CNC(=N)NCc2ccccc2)C1 57887171 VUJHIYGIBRMEET-SFHVURJKSA-N 350.510 3.733 0 40 FHAB C[C@@H]1CN(C(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)C[C@@H](C)O1 44775522 ODTDXCOKXATKRY-LVQVYYBASA-N 356.491 3.982 0 40 FHAB COc1ccccc1N1CC[C@H](CNC(=O)Nc2cccc(C(C)=O)c2)C1 58198473 SNSRJCDLAHMJAA-MRXNPFEDSA-N 367.449 3.546 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)Nc2ccc(NC(=O)c3cccs3)cc2)on1 58192814 CSDYPHGELHEGFE-GFCCVEGCSA-N 370.434 3.736 0 40 FHAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)Cc1cccc2cccnc12 58201057 YEPMQTUWZIYBFS-UHFFFAOYSA-N 359.429 3.617 0 40 FHAB CC(=O)Nc1cccc(NC(=O)CCC(=O)c2ccc(Cl)s2)c1 9477893 WLAXIZAIRHKMHR-UHFFFAOYSA-N 350.827 3.962 0 40 FHAB CCN(CC(=O)Nc1nnc(-c2sccc2C)o1)Cc1cccs1 58305315 DUMXPAHXVNAQON-UHFFFAOYSA-N 362.480 3.629 0 40 FHAB CS(=O)(=O)Nc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 10549275 PHDBJPJDTYQLOQ-UHFFFAOYSA-N 362.495 3.603 0 40 FHAB CCN(Cc1cccc(F)c1)C(=O)c1cc(Br)ccc1O 28813118 QTGIFFKHNKJEDH-UHFFFAOYSA-N 352.203 3.956 0 40 FHAB Cc1nc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cs1 11941957 CNNQACRYQWMEDS-DNQSNQRASA-N 368.817 3.828 0 40 FHAB FC(F)(F)Oc1ccc(Cc2nnc3sc(-c4ccco4)nn23)cc1 61720241 VZOPTTGNDJKXQV-UHFFFAOYSA-N 366.324 3.935 0 40 FHAB CCOC(=O)C[C@H](OC(=O)[C@@H]1C[C@@H]1C)c1ccc(Br)cc1 95444255 PFMXUKXXNQXJMQ-GDLCADMTSA-N 355.228 3.643 0 40 FHAB Cn1cc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cn1 25307531 SXGRQWMCUOXQQL-UHFFFAOYSA-N 362.311 3.879 0 40 FHAB CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(F)cc1 48280066 UGEYLPSBYMUFRA-LJQANCHMSA-N 356.445 3.739 0 40 FHAB Cc1ccc(C)c(C(=O)Cn2nnc(-c3ccccc3Br)n2)c1 3406420 FFDMUOWIATZDOU-UHFFFAOYSA-N 371.238 3.602 0 40 FHAB c1ccc2c(c1)oc1c(N3CCN(Cc4ccsc4)CC3)ncnc12 12922044 PNKKCZAIVAATHW-UHFFFAOYSA-N 350.447 3.760 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 3580032 GPORSJXCZDQDDB-PBHICJAKSA-N 366.461 3.575 0 40 FHAB O=C(CN1CCN(Cc2ccccc2)CC1)Nc1cccc2ccccc12 23253740 LVKDVCPXUOPHKG-UHFFFAOYSA-N 359.473 3.596 0 40 FHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1 20460262 KOXNZHOWHBGVCW-FCEWJHQRSA-N 366.933 3.982 0 40 FHAB O=S(=O)(N[C@@H]1CCSc2ccc(F)cc21)c1ccc(F)c(F)c1 13003288 GDJYOAYZPIKRQT-CQSZACIVSA-N 359.394 3.619 0 40 FHAB COc1ccc(-n2c(=O)c3ccccc3n3c(SC(C)C)nnc23)cc1 9368551 BGGJNVYBUJLEHO-UHFFFAOYSA-N 366.446 3.543 0 40 FHAB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccs1 20633319 WZISJYOQQDROAE-QGZVFWFLSA-N 369.446 3.576 0 40 FHAB COc1ccccc1N1CCN(c2ncnc3c2oc2ccccc23)CC1 4301873 PCBMMVAJNAKTOQ-UHFFFAOYSA-N 360.417 3.711 0 40 FHAB COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)s2)c1 14021696 SJUGZKRUOARPJE-SECBINFHSA-N 369.826 3.603 0 40 FHAB CC(C)N(CCNC(=O)c1ccc(NC(=O)c2cccs2)cc1)C(C)C 14186777 QCIHUECSBWNYEK-UHFFFAOYSA-N 373.522 3.849 0 40 FHAB Clc1ccc(Cn2nc(Br)nc2Br)cc1 14608579 KCOYPEXFESQGOT-UHFFFAOYSA-N 351.429 3.505 0 40 FHAB C[C@@H]1C[C@@H](c2ccccc2)n2ncnc2N1C(=O)c1ccc(Cl)cc1 4732637 QBXNJYRBMRKTSH-DYVFJYSZSA-N 352.825 3.960 0 40 FHAB CC(=O)N(c1nc(COC(=O)c2ccccn2)cs1)c1ccccc1F 5692561 JQLABDUCVMZPRD-UHFFFAOYSA-N 371.393 3.719 0 40 FHAB C[C@H](Sc1nnc(-c2ccco2)o1)C(=O)NC12CC3CC(CC(C3)C1)C2 5944371 XTTVTUZEBDMXIS-NZWMYCLXSA-N 373.478 3.895 0 40 FHAB CCN(C(=O)c1n[nH]c(=O)c2ccccc12)c1nc2c(C)cccc2s1 7718931 CAMQDSKZTRPHJQ-UHFFFAOYSA-N 364.430 3.508 0 40 FHAB CCCC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3CCCO3)n2)cc1 7990666 RMAZKGMCSHNBAS-OAHLLOKOSA-N 359.451 3.666 0 40 FHAB Cc1cc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)c(C)n1C(C)C 16685040 GAYIZKQELHUSQS-AWEZNQCLSA-N 354.450 3.820 0 40 FHAB C[C@H]1Oc2c(C(=O)Nc3ccc(N4CCOCC4)cc3)cccc2[C@H]1C 8193378 ZHFOXEVZTHBWOS-LSDHHAIUSA-N 352.434 3.660 0 40 FHAB C[C@@H]1Oc2c(C(=O)Nc3ccc(N4CCCC4=O)cc3)cccc2[C@H]1C 8280163 RQZUUHSFODMWPN-KBPBESRZSA-N 350.418 3.950 0 40 FHAB CS(=O)(=O)c1ccccc1C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 8268601 LIWZYPCDIXXZJZ-QGZVFWFLSA-N 363.866 3.625 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnnn1C1CCCC1 8343119 KOLXGSPAMGIHGL-LBPRGKRZSA-N 355.467 3.941 0 40 FHAB O=C(Nc1ccc(Cl)cc1Cl)c1c(O)c2c([nH]c1=O)CCCC2 17042719 RLKWOSJLRIJTFX-UHFFFAOYSA-N 353.205 3.518 0 40 FHAB COc1ccccc1Nc1nc(N)nc(CSc2ccc(C)cc2)n1 8486763 GYRRDPVGOHYCSS-UHFFFAOYSA-N 353.451 3.807 0 40 FHAB C[C@H]1CCN(C(=O)c2nnn(-c3cccc(F)c3)c2C2CC2)CC1(C)C 95940366 CFGMLQREVJYDSE-ZDUSSCGKSA-N 356.445 3.792 0 40 FHAB COc1cccc(NC(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)c1 75109216 PSCSWNCNHFYSQM-LJQANCHMSA-N 363.458 3.510 0 40 FHAB CCCC(=O)Nc1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1OC 67321387 DHGVXENSTUDBQO-UHFFFAOYSA-N 372.421 3.703 0 40 FHAB CC1CCC(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)CC1 22993382 WTOGJYLYOMYKTE-XUJQIHCRSA-N 366.461 3.542 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)NC(C)(C)C)cc2)cc1 409365425 XDBQMSKUXNONBF-UHFFFAOYSA-N 374.506 3.643 0 40 FHAB CC(C)c1noc([C@@H](NC(=O)C[C@@H]2CCC[C@@H](C)C2)C2CCOCC2)n1 548660194 TXCZXHAXERPZDH-RKVPGOIHSA-N 363.502 3.993 0 40 FHAB O=C(CSc1nc2ccccc2n1Cc1ccccc1F)N1CCCC1 35314663 RYZYCPYOIZWVBB-UHFFFAOYSA-N 369.465 3.938 0 40 FHAB Cc1nccn1Cc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1 44932269 KYQNHXNHZHOPRE-UHFFFAOYSA-N 363.461 3.957 0 40 FHAB COc1ccc(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc23)cc1 49004583 GMHGJFSYFLKTLZ-UHFFFAOYSA-N 362.433 3.926 0 40 FHAB COc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCC3)cc2)cc1OC 44934641 OOOFOACGTNFHHM-MRXNPFEDSA-N 368.477 3.791 0 40 FHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCOc1cc(C)cc(C)c1 224081549 FCHFMQLHFJVXQU-FQEVSTJZSA-N 357.450 3.665 0 40 FHAB O=C(Nc1ccccc1OC(F)(F)F)[C@@H]1CC(c2cccc(F)c2)=NO1 40088111 KKVGYBPUWLMPJZ-HNNXBMFYSA-N 368.286 3.856 0 40 FHAB CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)Cc1ccccc1F 225452171 SEVSLIAMWLZRMM-UHFFFAOYSA-N 359.788 3.730 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222712676 FQPXPGXNUOZIKT-KDOFPFPSSA-N 371.433 3.501 0 40 FHAB CCN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 224711878 WDIBYAMLGHEAPW-UHFFFAOYSA-N 367.854 3.650 0 40 FHAB COc1ccc2cc(S(=O)(=O)NCCCc3ccccc3)ccc2c1 225195578 KPKQGPKPWAPHDK-UHFFFAOYSA-N 355.459 3.760 0 40 FHAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 222870216 XOBJBZJATGLLBH-NRFANRHFSA-N 368.477 3.956 0 40 FHAB COc1ccccc1OCCNC(=O)CCCc1nc2cc(C)ccc2o1 224949843 OJICORVDGUCUOZ-UHFFFAOYSA-N 368.433 3.663 0 40 FHAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1 225066712 QKZSAEFFHMEDHL-QGZVFWFLSA-N 370.474 3.959 0 40 FHAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1nc2c(s1)CCCC2 223263263 ZSMABPONJCDRBB-UHFFFAOYSA-N 366.508 3.955 0 40 FHAB COc1cccc(-c2cnc(CCC(=O)N(C)Cc3ccccc3)o2)c1 224848261 LIKLJTPTVXVYQP-UHFFFAOYSA-N 350.418 3.941 0 40 FHAB CC[C@@H](NC(=O)CCc1ccc(OC)cc1)c1ccc(OC)c(OC)c1 225318007 HQFAIZJZGJJRDC-GOSISDBHSA-N 357.450 3.913 0 40 FHAB Cc1ccc(NC(=O)N2CC[C@]3(C[C@@H]3C(=O)NCc3cccs3)C2)cc1 96075102 NIOOTVKADULZQV-XLIONFOSSA-N 369.490 3.617 0 40 FHAB COC[C@H]1CC2(CCN(Cc3cccs3)CC2)CN1Cc1ccccn1 96051787 NRJXUCWHZFBPLU-LJQANCHMSA-N 371.550 3.646 0 40 FHAB Oc1cc(CN2CCC([C@@H](O)c3cccs3)CC2)nc2ccccc12 92065870 BBMUDYAMNSDXTN-HXUWFJFHSA-N 354.475 3.948 0 40 FHAB C[C@@H]1CCC2=NN(C(=O)c3ccc(Cl)cc3)[C@](O)(C(F)(F)F)[C@H]2C1 245297623 VHDNLZPAGIEZFC-MURWCNHISA-N 360.763 3.839 0 40 FHAB Cc1cc2nc([C@H]3CCCCN3C(=O)c3cc(F)ccc3F)ccn2n1 257241313 HXPMYEUWXZDGKK-QGZVFWFLSA-N 356.376 3.683 0 40 FHAB O=C(c1nccc2ccccc12)N1CCCC[C@@H]1c1ccn2ccnc2n1 257286475 PLSBNDTXIUOFBX-GOSISDBHSA-N 357.417 3.645 0 40 FHAB CCNC(=O)C1(Cc2cccc(-c3ccc(OC)cc3)c2)CCOCC1 257198281 YAYUMKYQFMOZPU-UHFFFAOYSA-N 353.462 3.838 0 40 FHAB O=C(/C=C/c1ccco1)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 96119027 OWGZPWYHRXHYRU-URWSZGRFSA-N 355.419 3.811 0 40 FHAB CCN1c2ccccc2N(Cc2csc(C(C)(C)C)n2)S1(=O)=O 629406082 UOUFAASUMOMRCW-UHFFFAOYSA-N 351.497 3.532 0 40 FHAB CNc1cc(CNC(=O)Nc2cc(Cl)c(OC)c(Cl)c2)ccn1 1666616723 ROMYPUVXGGXPPV-UHFFFAOYSA-N 355.225 3.760 0 40 FHAB CC[C@H](NC(=O)N[C@H](c1cccs1)C(C)(C)CO)c1c(C)noc1C 664535606 PRYQRVSNYXLIBJ-XJKSGUPXSA-N 365.499 3.863 0 40 FHAB Clc1ccc2ncnc(NC[C@@H](c3cccs3)N3CCOCC3)c2c1 1775972061 AKPBSDSICGTSFA-INIZCTEOSA-N 374.897 3.830 0 40 FHAB Cc1cc(N2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)nc2ccccc12 1775973910 PFYCJDAYSKUHQO-UHFFFAOYSA-N 370.456 3.987 0 40 FHAB O=C(Cc1cn2ccsc2n1)N[C@@H](Cc1ccsc1)c1nccs1 12087882 PTFALYRWPGILIA-ZDUSSCGKSA-N 374.516 3.557 0 40 FHAB Cc1ccc(C2=NO[C@@H](CC3(C(=O)NC4CCCC4)CCOCC3)C2)cc1 12226664 JVUIACWTOFKMCT-LJQANCHMSA-N 370.493 3.734 0 40 FHAB CN(Cc1ccco1)C(=O)CSc1nnc(NC2CCCCC2)s1 12745503 SBRAISJAEGGVFQ-UHFFFAOYSA-N 366.512 3.626 0 40 FHAB CCc1cccc(CC)c1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 12811684 ZDYSCKSQCUKENA-UHFFFAOYSA-N 361.445 3.669 0 40 FHAB Cc1c(CC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(=O)oc2cc(O)ccc12 12891801 CPKJLZZWQIYGFO-JLCFBVMHSA-N 369.461 3.777 0 40 FHAB O=C(CCNC(=O)c1ccccc1)Nc1nc(-c2ccc(F)cc2)cs1 14376880 GWUKEKISFRFGNF-UHFFFAOYSA-N 369.421 3.708 0 40 FHAB Cc1ccc(-c2cc(=O)c3c(=O)n(-c4nc5ccccc5s4)[nH]c3[nH]2)cc1 14607071 BMQRNFNJEHNRQL-UHFFFAOYSA-N 374.425 3.592 0 40 FHAB CCOC(=O)Cc1csc(NC(=O)/C=C/c2c(F)cccc2Cl)n1 14801866 RYUCXDOVCPSORY-VOTSOKGWSA-N 368.817 3.693 0 40 FHAB Cn1cc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2ccccc2F)n1 19290090 QFBLTAKOUSMKIS-IBGZPJMESA-N 364.424 3.989 0 40 FHAB Cc1nn(-c2ccccc2)c2nc3c(cc12)CN(Cc1ccccn1)C(=O)O3 19565723 WWBBIOIMHMFXIC-UHFFFAOYSA-N 371.400 3.639 0 40 FHAB COC(C)(C)C(=O)N1CCC[C@@H](c2ccc(Cc3ccc(F)cc3)cn2)C1 19690197 OOTNQRCJNZIRRV-GOSISDBHSA-N 370.468 3.943 0 40 FHAB O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1cccc(F)c1)CN2Cc1ccc(F)cc1 19712633 XLACZUYNKLAGBK-VWPQPMDRSA-N 370.443 3.992 0 40 FHAB COc1c(C)cccc1CN1CCC[C@H]2NC[C@H](c3ccc(F)cc3)[C@H]21 19235990 XYKLLVXNRQCBJV-NJDAHSKKSA-N 354.469 3.863 0 40 FHAB O=C(N[C@@H]1COc2c(Cl)cccc21)c1cccc(Oc2cnccn2)c1 675115999 WKEMCNOVQUUOLN-MRXNPFEDSA-N 367.792 3.786 0 40 FHAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(C(=O)O)c(O)c2)cc1 20151663 DCULIGODLFMWCZ-UHFFFAOYSA-N 372.446 3.515 0 40 FHAB CC(C)C(=O)O[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 5712743 GEAQWWCURRTMGE-SECBINFHSA-N 354.378 3.615 0 40 FHAB CCOc1cc2c(cc1CNC(=O)COc1ccc(C)c(C)c1)O[C@@H](C)C2 6654517 HWHHFLUYPRLADW-INIZCTEOSA-N 369.461 3.721 0 40 FHAB O=S(=O)(NCC1(c2ccsc2)CC1)c1cccc(C(F)(F)F)c1 1889038129 AOKZZTUCRDBBQZ-UHFFFAOYSA-N 361.410 3.777 0 40 FHAB Cc1ccc(NC(=O)NCC2(N3CCOCC3)CCCCC2)cc1Cl 18177052 WPSRJSHJNXCLSV-UHFFFAOYSA-N 365.905 3.805 0 40 FHAB c1ccc(COc2ccccc2CNC[C@H]2COc3ccccc3O2)nc1 25311387 OJENBUBACYZADW-IBGZPJMESA-N 362.429 3.590 0 40 FHAB Cc1cccc(N(C(=O)c2cnc3n(c2=O)CCS3)C2CCCCC2)c1 2455862 GFWWWOFUUZDUHI-UHFFFAOYSA-N 369.490 3.637 0 40 FHAB CC(=O)c1ccc(NC(=O)c2cccn(Cc3ccccc3C)c2=O)cc1 5269160 IVRHNDODOCGJSZ-UHFFFAOYSA-N 360.413 3.660 0 40 FHAB COc1ccc(SCCCC(=O)Nc2nnc(-c3ccco3)o2)cc1 10218055 OYEXMDCTHMCPSA-UHFFFAOYSA-N 359.407 3.849 0 40 FHAB O=C(c1ccccc1)c1cnc2ccc(Cl)cc2c1N1CCOCC1 20380678 OGRUWBRGKVUALU-UHFFFAOYSA-N 352.821 3.956 0 40 FHAB O=C(c1ccc(OC(F)(F)F)cc1)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1775976317 YSZXNSZYLGEGHQ-KBPBESRZSA-N 365.355 3.790 0 40 FHAB Cc1nc2ccccc2n1C1CN(C(=O)Cc2cccc(C(F)(F)F)c2)C1 1775973827 GTBXWPPHPOZOES-UHFFFAOYSA-N 373.378 3.990 0 40 FHAB O=C(CCc1cccc(Cl)c1)NC[C@H](c1cccs1)n1cccn1 575613398 GVTBUQVKSBIXCE-MRXNPFEDSA-N 359.882 3.936 0 40 FHAB COc1ccc2cc(C(=O)NC[C@H](O)c3cccc4ccccc34)[nH]c2c1 206701064 LRAFCMLFBGRBPY-NRFANRHFSA-N 360.413 3.793 0 40 FHAB FC(F)(F)c1cccc(N2CCN(C(=S)Nc3ccccn3)CC2)c1 6270240 BDXVOZXBHGEZSC-UHFFFAOYSA-N 366.412 3.619 0 40 FHAB COc1ccc(C(=O)NC[C@H](C)OC23CC4CC(CC(C4)C2)C3)cc1OC 12401797 QGKUAMNDSDDPNK-HIGJEIRPSA-N 373.493 3.808 0 40 FHAB Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(NC(N)=O)cc2)s1 40057675 BUYIJNDPVZDMRR-UHFFFAOYSA-N 372.475 3.852 0 40 FHAB O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(-c2cc[nH]n2)cc1 31562023 ZNHQTPCOVZLIKJ-UHFFFAOYSA-N 365.418 3.760 0 40 FHAB CCCc1nnc(NC(=O)c2cnn(-c3ccc(C)cc3)c2CC)s1 32796007 CXUSETOHYWYUAP-UHFFFAOYSA-N 355.467 3.799 0 40 FHAB COc1ccc(NC(=O)c2nnc(CN(C)CC3CCCCC3)s2)cc1 32769954 DVNIOQLZQSBEAP-UHFFFAOYSA-N 374.510 3.811 0 40 FHAB CCc1cccc(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)c1 21584062 KPHFORRILSWRSM-SFHVURJKSA-N 358.507 3.930 0 40 FHAB CC(=O)Nc1ccc2c(CN[C@H](C)c3ccc(F)cc3F)cc(=O)oc2c1 33040110 ACZGTKZPLODJJI-LLVKDONJSA-N 372.371 3.880 0 40 FHAB O=C(CCCn1cnc2ccccc2c1=O)N1CCC[C@@H]1c1ccccc1 22552071 GFQCOZVFYGTJAP-HXUWFJFHSA-N 361.445 3.540 0 40 FHAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)C1(C)C 54262234 KJYWCRLHMSZGBS-IEBWSBKVSA-N 370.493 3.644 0 40 FHAB CC[C@H]1c2ccsc2CCN1C(=O)C[C@@H](C)NC(=O)c1ccccc1 24277191 MTAQFIKVGHLMLS-PBHICJAKSA-N 356.491 3.793 0 40 FHAB COc1ccccc1[C@@H](CNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCCC1 105700077 YRFVYDVSOIHEBB-CGBFIWBNSA-N 356.510 3.775 0 40 FHAB COC(=O)CNc1nc(-c2ccc(Br)cc2)nc2ccccc12 2304738 PMZZVHPZPGBSRC-UHFFFAOYSA-N 372.222 3.644 0 40 FHAB Cc1ccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1F 7525412 ISRIAOGXDWAFMW-UHFFFAOYSA-N 358.457 3.795 0 40 FHAB COc1ccc(C(=O)Nc2cnc(NC(=O)c3cccs3)cc2C)cc1 1353052 LFHVDWDXJOLKCW-UHFFFAOYSA-N 367.430 3.965 0 40 FHAB CC(C)CC1=NN(C(=O)CCCc2ccccc2)[C@](O)(C(F)(F)F)C1 4163422 YRBOAFXMNHYPHF-QGZVFWFLSA-N 356.388 3.895 0 40 FHAB O=C(Nc1ccc2[nH]ncc2c1)/C(=C/c1ccco1)NC(=O)c1ccccc1 4954009 QPKBUQHMZQHRNX-UNOMPAQXSA-N 372.384 3.566 0 40 FHAB CCCC(=O)Oc1ccc([C@@H]2NC(=O)c3ccccc3O2)cc1OCC 4997903 ANPPPZSFBVRZDJ-HXUWFJFHSA-N 355.390 3.612 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1SC[C@@H]1CCCO1 7917928 FHJZQUFEWRDVRC-AWEZNQCLSA-N 357.431 3.939 0 40 FHAB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=S)NC(=O)C(C)C 9064079 RIDVGGMWOBCARO-UHFFFAOYSA-N 354.435 3.667 0 40 FHAB C[C@@H](OC(=O)Cc1c(F)cccc1Cl)C(=O)NCCC1=CCCCC1 2640003 QSMZQNXWZXJVLJ-CYBMUJFWSA-N 367.848 3.960 0 40 FHAB O=C(NCCSC1CCCCC1)c1ccc(CN2CCCC2=O)cc1 22524522 FPLATHAAXCDZSF-UHFFFAOYSA-N 360.523 3.605 0 40 FHAB CCC(C)(C)NC(=O)c1cnn(-c2ccc(Br)cc2)c1C 32909226 ZSNGDKCPKBAZCG-UHFFFAOYSA-N 350.260 3.862 0 40 FHAB CC(=O)c1ccc(N2CCN(C(=O)c3cc(C)nc4ccccc34)CC2)cc1 2638594 HMKJBUJPFCSZLC-UHFFFAOYSA-N 373.456 3.708 0 40 FHAB CC(=O)Nc1nc(COC(=O)c2c(Cl)c3ccccc3n2C)cs1 46400533 NEPRVTDCHSNWIT-UHFFFAOYSA-N 363.826 3.604 0 40 FHAB COc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2F)c1 2723125 TXMDOVCPYYQJAW-UHFFFAOYSA-N 357.410 3.751 0 40 FHAB CO[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccsc2)c2nccs2)CC1 100199068 GPTWDJIKKVDLME-ZNMIVQPWSA-N 350.509 3.810 0 40 FHAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)O 2765936 UEKYJAMFVJOBET-RYUDHWBXSA-N 367.467 3.878 0 40 FHAB CC(C)NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 660120 GZMYKWKRCLBFKE-OAQYLSRUSA-N 368.502 3.642 0 40 FHAB Cc1csc(NC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)n1 46811186 JSRIEPNLHQYQOY-NSHDSACASA-N 370.400 3.720 0 40 FHAB CC(C)Oc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 22267147 JKWVKRRXPCOCHP-UHFFFAOYSA-N 354.450 3.558 0 40 FHAB Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CNCCN(C)C 22925157 YFDRUNDAKZNKNS-UHFFFAOYSA-N 368.456 3.763 0 40 FHAB COC(=O)c1cc(CNC(=O)N(C)Cc2c(F)cccc2Cl)oc1C 47017199 LEDQLAOKNSNPIW-UHFFFAOYSA-N 368.792 3.509 0 40 FHAB COc1ccc(C)cc1CN1C[C@@H]2CCC[C@@H](C1)C2(O)c1ccccn1 100775426 DOQGQOKEQZDWNL-OALUTQOASA-N 352.478 3.518 0 40 FHAB CC[C@@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1CCC(C)C 2925080 WIEDJNBBFZVLOX-GFCCVEGCSA-N 367.540 3.511 0 40 FHAB C[C@H](C(=O)N(C)c1ccccc1)N1CCN(Cc2cccc(Cl)c2)CC1 22819542 OVHAHXQASJIQTN-QGZVFWFLSA-N 371.912 3.509 0 40 FHAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3C)oc2N(C)C)cc1 934637 VAGOSGPDEQCAMK-UHFFFAOYSA-N 356.447 3.857 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(-n2cccn2)nc1 12522635 KBSIELKAZDSVBP-UHFFFAOYSA-N 356.813 3.717 0 40 FHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1ccc2c(c1)CCCC2 24330220 GUGICWPWKLPFOM-KRWDZBQOSA-N 374.488 3.908 0 40 FHAB Fc1ccccc1N1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1 12597595 FHDKQGVDQXQZFM-UHFFFAOYSA-N 362.832 3.668 0 40 FHAB CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1 1305292 QYCFQGUHACQZFO-GOSISDBHSA-N 367.474 3.517 0 40 FHAB COc1ccc([C@H]2CCCN2Cc2nc(O)c3sccc3n2)c(OC)c1 35306348 JQDOGRJZJZCWDO-OAHLLOKOSA-N 371.462 3.751 0 40 FHAB O=C1OCC[C@@H]1Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 3332766 HETHYCGAUNQQOJ-INIZCTEOSA-N 369.421 3.540 0 40 FHAB CC(=O)NCC1CCN(C(=O)c2oc3c(ccc4ccccc43)c2C)CC1 44636415 QWFQSMJRXOCRJU-UHFFFAOYSA-N 364.445 3.883 0 40 FHAB O=S(=O)(NCc1ccc(F)cc1)c1ccc(Cl)c(C(F)(F)F)c1 3311535 LSRKDFGWZVXBOM-UHFFFAOYSA-N 367.751 3.976 0 40 FHAB Cc1csc(CCNC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)n1 58228485 FQLBYIJQTZFSCU-UONOGXRCSA-N 365.296 3.676 0 40 FHAB O=C(Nc1cccc(NC(=O)N(C[C@H]2CCOC2)C2CC2)c1)c1ccco1 58245795 SMJUPECAILQTLE-CQSZACIVSA-N 369.421 3.565 0 40 FHAB C[C@@H](CNC(=O)c1ccc2c(c1)OCO2)c1nc2ccccc2n1C(F)F 10639243 UOZGDMDBEVSFGR-NSHDSACASA-N 373.359 3.694 0 40 FHAB O=C(O)c1csc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)c1 28260697 ZPZKJPYJBKZDPL-UHFFFAOYSA-N 367.448 3.569 0 40 FHAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cc(C)oc1C 12798767 YZRCQHJUIOPSSM-UHFFFAOYSA-N 373.840 3.839 0 40 FHAB CC(=O)c1cccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)c1 3437030 GVRZKXPQFSMLNW-UHFFFAOYSA-N 365.454 3.957 0 40 FHAB O=C(c1ccoc1)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 12981153 HJJSDRNIXNFHAK-UHFFFAOYSA-N 352.459 3.966 0 40 FHAB COc1cccc(CNC(=O)CSCCOc2ccc(Cl)cc2)c1 13015663 XHUATSOIRPIVGW-UHFFFAOYSA-N 365.882 3.777 0 40 FHAB Cc1ncsc1C(=O)NCc1ccccc1CN1C[C@@H](C)C[C@H](C)C1 48884314 RJZLKWCQXHSUBV-GJZGRUSLSA-N 357.523 3.859 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(N2C(=O)CCC2=O)cc1 13140841 GZKWKILSXJKARP-UHFFFAOYSA-N 362.307 3.611 0 40 FHAB Cn1ncc2c1CCC[C@H]2NC(=O)NCC(C)(C)c1cccc(Cl)c1 63808517 OBTXETMWIZZRHP-MRXNPFEDSA-N 360.889 3.728 0 40 FHAB CCc1ccc(NC(=O)Cn2c(CC)nc3cc4c(cc32)OCCO4)cc1 64795081 BBTISGHECUBNRK-UHFFFAOYSA-N 365.433 3.571 0 40 FHAB CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cccnc2Cl)cc1 8449641 YNNCRICGTSSVAU-LBPRGKRZSA-N 374.824 3.758 0 40 FHAB Cc1ccc(NC(=S)NC(=N)Nc2nc(C)c3ccccc3n2)cc1C 13865064 FOKIMNXISKFDAT-UHFFFAOYSA-N 364.478 3.888 0 40 FHAB aggregator COc1cccc(Nc2nc(NCc3ccccc3)nc3c2cnn3C)c1 21873660 BQJPCEWUWBRTCT-UHFFFAOYSA-N 360.421 3.728 0 40 FHAB COc1cc(C)c(C)cc1S(=O)(=O)Oc1ccccc1Br 5235001 ATDIIELFJRGCDM-UHFFFAOYSA-N 371.252 3.842 0 40 FHAB CN(Cc1coc(-c2cccs2)n1)S(=O)(=O)c1cccc(Cl)c1 14022487 FSMMPFDBCYQRKN-UHFFFAOYSA-N 368.867 3.877 0 40 FHAB COc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)c(OC)c1 14207370 CCQNVBKXAUZNGL-UHFFFAOYSA-N 353.378 3.678 0 40 FHAB Cc1sc2nc(-c3ccccc3)nc(N(C)CC(=O)NC3CC3)c2c1C 17282400 ZYTNWZXGHHWHNF-UHFFFAOYSA-N 366.490 3.690 0 40 FHAB Cc1ccn2cc(C(=O)O[C@@H](C)c3nnc(-c4cccs4)o3)nc2c1 6650077 FPLBKROHJKLZLX-NSHDSACASA-N 354.391 3.672 0 40 FHAB CCOC(=O)c1ccc(Nc2nc3ccccc3n3c(CC)nnc23)cc1 6791720 VVSBZMCFXYUIIM-UHFFFAOYSA-N 361.405 3.760 0 40 FHAB COC(=O)N(C)c1ccc(N[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1 66392501 BRNBMLMXIYXPNM-HUUCEWRRSA-N 367.449 3.667 0 40 FHAB COc1cccc(NC(=O)CN(C)Cc2ncc(-c3ccc(F)cc3)o2)c1 7458037 LMBLCAFCZJKHQB-UHFFFAOYSA-N 369.396 3.560 0 40 FHAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccccc1Br 15831620 OQPSMWNZTPFONV-OAHLLOKOSA-N 363.255 3.609 0 40 FHAB O=C(Nc1ccccc1)C1CCN(C(=O)c2c[nH]nc2-c2ccccc2)CC1 8703883 ZOIISIGEVYMKKJ-UHFFFAOYSA-N 374.444 3.568 0 40 FHAB C[C@H](Sc1ccc2ccccc2n1)C(=O)Nc1sccc1C(N)=O 8721140 MQUVOHURZSHYSU-JTQLQIEISA-N 357.460 3.515 0 40 FHAB COc1cccc(-c2cc(=O)[nH]c(Nc3nc(C)c4ccc(C)cc4n3)n2)c1 9575556 SZXAAWVHPFLPFX-UHFFFAOYSA-N 373.416 3.749 0 40 FHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2ccc(N(C)C)cn2)c1 96013115 YEBDIKFTEPYAOT-QGZVFWFLSA-N 370.453 3.534 0 40 FHAB O=C(c1ccc2[nH]nnc2c1)N1CCC(c2nc3ccccc3s2)CC1 9319422 MFGJGIVHUYTFDQ-UHFFFAOYSA-N 363.446 3.587 0 40 FHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc21 64947124 OPKLTJDCGMOXHQ-UHFFFAOYSA-N 362.476 3.582 0 40 FHAB C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1nc2ccccc2[nH]1 9467609 KZWCPRURJFLGOZ-LLVKDONJSA-N 358.239 3.745 0 40 FHAB COc1cccc(-c2nn3c(Cc4ccccc4F)nnc3s2)c1OC 19910030 LKOSBGLQOFHNLK-UHFFFAOYSA-N 370.409 3.600 0 40 FHAB COc1ccccc1CNC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 9679423 QYLRWYWBZTUCCC-INIZCTEOSA-N 364.449 3.661 0 40 FHAB Cc1cc2occ(CC(=O)Nc3cnn(C[C@@H]4CCCO4)c3)c2cc1C 72011839 RFTCLYSJTYMERZ-KRWDZBQOSA-N 353.422 3.606 0 40 FHAB CCc1nc2sc([C@@H](c3ccco3)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 36104880 WEYKRRMZTFAVNK-SLEUVZQESA-N 360.483 3.719 0 40 FHAB CCc1nc(CCNC(=O)Nc2cc(OC)c(Cl)cc2OC)cs1 60367119 MIZBZMXPXPGLOW-UHFFFAOYSA-N 369.874 3.740 0 40 FHAB C[C@H](NC(=O)c1cccc(Nc2cnccn2)c1)[C@H]1COc2ccccc21 89894438 FYVPXPGKENLTGN-KBXCAEBGSA-N 360.417 3.515 0 40 FHAB Cc1cc([C@@H](C)NC(=O)c2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)c(C)s1 84081854 NXCDOROBXZCWCC-VNHYZAJKSA-N 373.522 3.865 0 40 FHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C\c1cc2ccccc2o1 96932141 VUKAYOUYAPQCQW-QXMHVHEDSA-N 373.412 3.731 0 40 FHAB COC(=O)C[C@H](Cc1ccccc1)NC(=O)Nc1cccc2cnccc12 72311292 XCGRCTLDMLARMT-KRWDZBQOSA-N 363.417 3.531 0 40 FHAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cccc(Cl)c1-n1cccn1 84678426 XRLMBXKIIWZWKT-SGTLLEGYSA-N 369.808 3.693 0 40 FHAB CN(C(=O)Cc1cc(Cl)c2c(c1)OCCCO2)c1c(F)cccc1F 95369537 WOEIFQYLMXHTKA-UHFFFAOYSA-N 367.779 3.985 0 40 FHAB COCCCN1C(=O)S/C(=C/c2cc(C)n(C(C)(C)C)c2C)C1=O 409251699 VSYAGFJSLUAWAI-RVDMUPIBSA-N 350.484 3.933 0 40 FHAB COc1ccccc1OC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 408650939 BXWAZVLKWFMHLY-CYBMUJFWSA-N 359.809 3.616 0 40 FHAB Cc1cccc(NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)c1 32913989 LCWCZANPKWAJJN-UHFFFAOYSA-N 371.487 3.875 0 40 FHAB CSc1ccc(NC(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)cc1 32774171 ZGCNTHZGRKXRKH-QGZVFWFLSA-N 360.454 3.941 0 40 FHAB Clc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccncc3)n2)s1 72321988 YCDFVMXKKPLGFD-AWEZNQCLSA-N 360.870 3.760 0 40 FHAB biogenic,in-vitro Cc1noc(-c2ccccc2OCC(=O)Nc2nc(C(C)C)cs2)n1 35476143 FYSDZUCNDMGCEG-UHFFFAOYSA-N 358.423 3.642 0 40 FHAB O=C(c1cc2c(s1)CCCC2)N1CCN(Cc2cccc(F)c2)CC1 36612955 ZKCZYVYNUYLQPQ-UHFFFAOYSA-N 358.482 3.724 0 40 FHAB CNC(=O)N1N=C2C(=C3[C@H]4CC[C@@H]5CC[C@H]([C@H]45)[C@@H]31)[C@@H]1CC[C@H]3CC[C@H]2[C@H]31 71785659 ZZNHOUMKUHZVEA-BDZMLBBPSA-N 351.494 3.795 0 40 FHAB C[C@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc(Cl)cc1 43732755 HQBPJDFUAPFXKD-LBPRGKRZSA-N 354.233 3.956 0 40 FHAB COc1cccnc1NC(=S)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 225680541 IZUMHDUWPQHABL-CQSZACIVSA-N 357.479 3.987 0 40 FHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1C 225011853 CRJMGNVSHZKVQD-RTBURBONSA-N 366.505 3.870 0 40 FHAB Cc1cc(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)c2c(C)nn(C)c2n1 44621249 FYXYGAKTXXBWCD-NSHDSACASA-N 374.391 3.678 0 40 FHAB Cc1cccc([C@@H](NS(=O)(=O)c2c(C)noc2C)c2ccccc2)c1 224771922 CLCKAWKIJASZOE-SFHVURJKSA-N 356.447 3.668 0 40 FHAB O=C1CC2(CCN(C(=O)Cc3ccccc3)CC2)Oc2cc(Cl)ccc21 225826593 MOXBRMLPIPJDIG-UHFFFAOYSA-N 369.848 3.909 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCOc1ccc(C)c(C)c1 224464781 NOZKJCPSDCKKDO-FQEVSTJZSA-N 357.450 3.665 0 40 FHAB Cc1ccc(OCCC(=O)NCc2cccc(NC(=O)C3CC3)c2)c(C)c1 40069182 JLTSFFWNPVMOLH-UHFFFAOYSA-N 366.461 3.737 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1Cl 225401028 UCYXPKJQVAHSSU-UHFFFAOYSA-N 361.781 3.540 0 40 FHAB COc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@@H](C4)[C@H]23)ccc1O 136151340 KNUWZJNVRUBDEL-JKJRQPDZSA-N 361.488 3.803 0 40 FHAB Cc1cccc(N([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)S(C)(=O)=O)c1 220131808 XDLRKBSFEXSLDT-QGZVFWFLSA-N 374.506 3.713 0 40 FHAB CO[C@H](CNC(=O)c1cc(-c2ccco2)on1)c1ccc(Cl)s1 225701875 YIYIMASOCPDWHK-GFCCVEGCSA-N 352.799 3.767 0 40 FHAB COc1ccc2cc(S(=O)(=O)NC[C@@H](C)c3ccccc3)ccc2c1 225136978 HWQUFCBKCMKMGZ-OAHLLOKOSA-N 355.459 3.930 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCOc1ccc(Cl)cc1 224462703 AVIDOMTYCHLQCI-SFHVURJKSA-N 363.841 3.701 0 40 FHAB c1cc(CN2CCC[C@@H]2c2nnn3cc(-c4ccncc4)ccc23)ccn1 96267887 APCLDXAWWVPWCO-LJQANCHMSA-N 356.433 3.523 0 40 FHAB Cc1ccc(C(=O)N2CCOC[C@H]2c2csc(-c3ccccc3)n2)o1 96217384 PIGZUCZIZHVJGN-INIZCTEOSA-N 354.431 3.925 0 40 FHAB Cc1cc(C(=O)N2CCC[C@@H](c3ccc(-c4c(C)noc4C)cn3)C2)on1 257314492 UXFVXSGUGKEDMV-MRXNPFEDSA-N 366.421 3.670 0 40 FHAB Cc1cc(Br)ccc1C(=O)N1CCO[C@H](Cc2ccccc2)C1 540678064 YJWSPDOMVMXKFC-QGZVFWFLSA-N 374.278 3.841 0 40 FHAB CC(C)N(Cc1cccnc1)C(=O)c1ccc2c(c1)nc(O)n2C1CC1 585101460 TTYMVOAYNYHAFD-UHFFFAOYSA-N 350.422 3.523 0 40 FHAB C[C@@H](Oc1ccc(NC(=O)c2scnc2C(C)(C)C)cc1F)C(=O)O 630259392 ZFPKHXREPNGSKE-SECBINFHSA-N 366.414 3.684 0 40 FHAB O=C(Nc1ccc(Br)c(C2CC2)n1)Nc1c[nH]nc1C1CC1 667144348 JJUCELJVDMRENA-UHFFFAOYSA-N 362.231 3.966 0 40 FHAB COc1ccc(CCC(=O)NCC2(OC)C3CC4CC(C3)CC2C4)cc1 96123856 YSNNLAMEGBJRSS-UHFFFAOYSA-N 357.494 3.585 0 40 FHAB CCc1ccccc1NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 5439625 MHJPPGOLZBAZPF-UHFFFAOYSA-N 372.490 3.740 0 40 FHAB O=S(=O)(NCCOc1cccc2ccccc12)c1ccc(Cl)cc1 5876660 YWSMRSRGJXQEIS-UHFFFAOYSA-N 361.850 3.851 0 40 FHAB CCCC(=O)N1CCC[C@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 12123445 RWKSBDCNHLMPAS-HNNXBMFYSA-N 367.453 3.507 0 40 FHAB COc1cccc(CN2C[C@@H]3[C@@H](CCC[C@@]3(O)c3ccccc3OC)C2)c1 12329693 HYMIIRVRJSDLIF-QTGUNEKASA-N 367.489 3.824 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 14004495 AMAPIHMOZRFRPU-OAHLLOKOSA-N 364.401 3.616 0 40 FHAB Cc1ccnc(SCc2cc(O)n(-c3nc4ccccc4s3)n2)n1 14607812 ZUUPUOHQHYAGDG-UHFFFAOYSA-N 355.448 3.578 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(OC)cc1 14796059 ZEYSQKTURUFNCE-OAHLLOKOSA-N 370.449 3.631 0 40 FHAB O=C(Cc1ccccc1)Oc1ccccc1N1C(=O)[C@H]2CCCC[C@@H]2C1=O 17976200 KHVQFYZGQTWXKT-IRXDYDNUSA-N 363.413 3.514 0 40 FHAB Cc1nn(-c2ccccc2)c(O)c1C(=O)c1cccc(Br)c1 18119580 OYGMAFZLKXOJQE-UHFFFAOYSA-N 357.207 3.880 0 40 FHAB Cn1nc(C2CCN(C(=O)c3cccnc3)CC2)cc1-c1cccc(F)c1 19288862 DKMHFNYPAMBBFJ-UHFFFAOYSA-N 364.424 3.641 0 40 FHAB Cc1cc(C)c(NC(=O)CCN2CCN(Cc3ccccc3)CC2)c(C)c1 19419624 CMKXBMUUTBVFEW-UHFFFAOYSA-N 365.521 3.758 0 40 FHAB Fc1ccc(OCCc2cc([C@@H]3CCCN3Cc3ccncc3)n[nH]2)cc1 19703669 YXRFRZWUCQRZAG-NRFANRHFSA-N 366.440 3.902 0 40 FHAB CCN(C(=O)Cc1ccc(OC)c(OC)c1)[C@H]1CN(C)C2(CCCCC2)C1 19704194 ULYFOBHGKXTIAR-GOSISDBHSA-N 374.525 3.502 0 40 FHAB Cc1onc(-c2ccc(Cl)cc2)c1C(=O)NCCN(C)C1CCCC1 19719125 BGMXYBJDXUXZLD-UHFFFAOYSA-N 361.873 3.908 0 40 FHAB O=c1nc(SCc2ccc(F)cc2)c2c(n1C[C@H]1CCCO1)CCCC2 10255436 DSRDSMOQWKFGBE-MRXNPFEDSA-N 374.481 3.733 0 40 FHAB CCc1ccc(C(=O)[C@H](C)Sc2nnnn2-c2ccccc2C)cc1 5352867 XGCRFVUSXNFOMV-AWEZNQCLSA-N 352.463 3.897 0 40 FHAB O=C(CCc1ccc(F)cc1)N1CCC[C@@](O)(COc2ccccc2)CC1 2037909262 JNNXXPASSNIJDC-QFIPXVFZSA-N 371.452 3.581 0 40 FHAB COc1ccc(C(=O)NCCc2c(C)[nH]c3c(C)cccc23)cc1OC 1075062 FTDAWMRTACXJBX-UHFFFAOYSA-N 352.434 3.774 0 40 FHAB biogenic,in-vitro Cc1ccc(C(=O)N2[C@H](C(=O)O)CS[C@@H]2c2ccccc2Cl)cc1 3620472 BDCKQLQRWJGVHI-DOTOQJQBSA-N 361.850 3.989 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 4373959 MNOWQSZLNOQGJO-CQSZACIVSA-N 361.804 3.715 0 40 FHAB Cc1ccc(N2C[C@H](NC(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1 4360010 YOFGRNFHVNPZAL-OAHLLOKOSA-N 357.841 3.884 0 40 FHAB COc1ccc(C)cc1NC(=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4374359 WUEYPWFHQZTVDC-AWEZNQCLSA-N 373.840 3.584 0 40 FHAB Cn1cc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc21 4901949 SHZAFQZSXJTNRG-UHFFFAOYSA-N 361.489 3.502 0 40 FHAB COc1ccc(C(=O)NCc2cc(-c3ccc(C)cc3)on2)cc1OC 12235527 YVLIROAKPNLCEF-UHFFFAOYSA-N 352.390 3.597 0 40 FHAB Cc1ccc(CSc2n[nH]c(=O)c3cc(-c4cccs4)nn23)cc1 16844028 CCACWLLBXAGXBF-UHFFFAOYSA-N 354.460 3.747 0 40 FHAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc2c(c1)OCCO2 17297293 GCHLXIYAFOBDKV-UHFFFAOYSA-N 367.357 3.633 0 40 FHAB O=C(c1cscn1)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1889971747 FBLAGHLNSKOMKQ-UHFFFAOYSA-N 358.854 3.760 0 40 FHAB O=C(c1ccco1)c1ccc(CNS(=O)(=O)/C=C/c2ccccc2)s1 211082351 LIGVTFZEUANCBM-ZRDIBKRKSA-N 373.455 3.662 0 40 FHAB O=C(c1csc2c1CCCC2)N1CCC[C@@H]1c1nnc2n1CCCCC2 29249937 NMNMWQFLOWXOIK-MRXNPFEDSA-N 370.522 3.922 0 40 FHAB Cc1cc(N(C)C)ccc1NC(=O)Cn1c(-c2cccs2)n[nH]c1=S 40111700 SPKAKVSHKDLDHJ-UHFFFAOYSA-N 373.507 3.682 0 40 FHAB CCC[C@@H](NC(=O)[C@@H](C)OC(=O)c1ccc(C)c(O)c1)c1ccccc1 10981184 IFNDZMZNWONJEI-CRAIPNDOSA-N 355.434 3.904 0 40 FHAB Cc1ccccc1-c1noc(COC(=O)c2ccc(-n3cccn3)cc2)n1 8038724 KRKIZICEBMSSFY-UHFFFAOYSA-N 360.373 3.588 0 40 FHAB CCc1cccc(CC)c1NC(=O)CN(C)C[C@H]1COc2ccccc2O1 16628819 PDFKCSARRGRGIM-SFHVURJKSA-N 368.477 3.522 0 40 FHAB CCOC(=O)Cc1csc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)n1 11167253 PPMBFPUGBVQGIF-UHFFFAOYSA-N 357.435 3.599 0 40 FHAB COc1ccccc1N1C(=O)c2ccc(C(=O)OCCC(C)C)cc2C1=O 844616 KTVSCDVTBFWZDJ-UHFFFAOYSA-N 367.401 3.699 0 40 FHAB COc1ccc([C@@H](NC(=O)NCc2cn3c(C)cccc3n2)C2CC2)cc1 69042911 OBSUGFJUARXFEY-FQEVSTJZSA-N 364.449 3.602 0 40 FHAB COc1ccc(-c2cnnn2-c2ccc(C(=O)Nc3ccncc3)cc2)cc1 8132248 SBAHRHGGVLVFFS-UHFFFAOYSA-N 371.400 3.590 0 40 FHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc(OC)cc2)CC1=O 7928224 XPNYONUVODUIKD-KRWDZBQOSA-N 366.461 3.812 0 40 FHAB CCCC[C@@H](NC(=O)c1cc2ccccc2o1)C(=O)Nc1nccs1 20744583 CTFKBWGTCNNFQU-CYBMUJFWSA-N 357.435 3.817 0 40 FHAB CN(C)[C@H](CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 2637845 RRRQDHLDGFKXLS-MRXNPFEDSA-N 373.305 3.575 0 40 FHAB Cc1nc(Cc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cs1 32825928 WTSYFRIMFVDDOO-UHFFFAOYSA-N 365.505 3.537 0 40 FHAB COc1ccccc1[C@@H](O)CNC(=O)c1cc(F)c(Cl)cc1Cl 32915268 NGKSIWSFSQCABW-AWEZNQCLSA-N 358.196 3.605 0 40 FHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc2c(s1)-c1ccccc1CC2 22315789 DBPRYBJXLGAITG-UHFFFAOYSA-N 361.426 3.936 0 40 FHAB Cc1cc(C(=O)Nc2ccc3c(c2)OCCO3)c(C)n1Cc1ccco1 23296302 LBAQFHBKVLEHPO-UHFFFAOYSA-N 352.390 3.770 0 40 FHAB O=C(c1cc(Cl)ccc1NCc1nc(-c2ccco2)no1)N1CCCC1 42740531 XIPJQGJIGVULAZ-UHFFFAOYSA-N 372.812 3.831 0 40 FHAB Nc1nc2c(s1)[C@@H](c1ccccc1OCc1ccc(F)cc1)CC(=O)N2 12375444 CUGXSERTFKFKJU-CQSZACIVSA-N 369.421 3.918 0 40 FHAB Cc1cc2c(s1)N[C@@H]1SCC(c3cc(F)ccc3F)=NN1C2=O 12357587 VZIDIPFICZNYHB-HNNXBMFYSA-N 351.403 3.637 0 40 FHAB Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc(C(=O)O)c1O 20144751 KMVWVASKWTXXGT-UHFFFAOYSA-N 363.797 3.848 0 40 FHAB CCn1cc(C(=O)Nc2cc(C)cc(C)c2)c(=O)c2cc(OC)ccc21 22235733 JQIVZMNJNAPSMO-UHFFFAOYSA-N 350.418 3.899 0 40 FHAB COc1ccccc1CCC(=O)NCC1(c2ccc(F)cc2)CCOCC1 55453704 HRLSPAWCWLTLDE-UHFFFAOYSA-N 371.452 3.632 0 40 FHAB O=C(CCc1ccsc1)Nc1cccc(Cl)c1N1CCOCC1 12543496 QZJWBLCDSAVRGI-UHFFFAOYSA-N 350.871 3.809 0 40 FHAB CCc1ccc(NC(=O)[C@H](C)Nc2ccc(N3CCCC3=O)cc2)cc1 12555806 LBLWYBJPDAWZPZ-HNNXBMFYSA-N 351.450 3.815 0 40 FHAB C[C@@H](NC(=S)Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCOCC1 25514831 KCXCDPAATICFIF-DNVCBOLYSA-N 373.497 3.574 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1 12562753 ZOURYEBEZVODOQ-UHFFFAOYSA-N 352.419 3.746 0 40 FHAB Cc1nc2c(c(NC(=O)c3ccc(N(C)C)cc3)nn2C)c(C)c1Cl 35326782 FVKPFVJNSPSYEB-UHFFFAOYSA-N 357.845 3.557 0 40 FHAB c1ccc(COc2ccc(-c3noc(CN4CCSCC4)n3)cc2)cc1 57427781 AEOOWVIWCWMYIA-UHFFFAOYSA-N 367.474 3.864 0 40 FHAB C[C@H](NC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1cccs1 57991607 HGTSPBUHVTZDMX-VIFPVBQESA-N 358.872 3.688 0 40 FHAB Cc1ccc(-c2cc(C(=O)OCC(=O)N(C)C)c3ccccc3n2)c(C)c1 3280608 JXZLDQKUVKEBJD-UHFFFAOYSA-N 362.429 3.764 0 40 FHAB C[C@H](NC(=O)COC(=O)c1ccccc1C(F)(F)F)c1ccccc1 3263620 WEESVYJRBWQKCV-LBPRGKRZSA-N 351.324 3.740 0 40 FHAB Cc1ccc(CNC(=O)c2nnc(CSc3ccc(O)cc3)s2)cc1 58331198 QOVNFQMZQHUBOW-UHFFFAOYSA-N 371.487 3.774 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c(C(=O)O)c1 58357110 YCXHBEXTSHVWPG-UHFFFAOYSA-N 359.325 3.513 0 40 FHAB CCn1cnnc1-c1cccc(NC(=O)NCCO[C@@H]2CCCC[C@@H]2C)c1 58310832 JVQMKKQCJYNRMC-MAUKXSAKSA-N 371.485 3.682 0 40 FHAB Cc1sc2nc(CSc3nnc(-c4ccco4)o3)[nH]c(=O)c2c1C 3268927 VBAQHGFEMBIDGH-UHFFFAOYSA-N 360.420 3.537 0 40 FHAB Cc1ccc(OCC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cc1 27990296 XRZBOFSKNLJGKA-OAQYLSRUSA-N 352.478 3.636 0 40 FHAB CSc1nnc2n(C)c(=O)c3c4c(sc3n12)C[C@@H](C(C)(C)C)CC4 2296443 LKCOPHUWASFLRQ-VIFPVBQESA-N 362.524 3.516 0 40 FHAB CC[C@H](C)c1ccc([C@@H](NC(=O)N2CCC(C(N)=O)CC2)C(C)C)cc1 12735628 JOVOBRVNOSOZFS-KXBFYZLASA-N 359.514 3.804 0 40 FHAB COC(=O)Nc1ccc(NC(=O)NC[C@H](C)N(C)c2ccccc2)cc1 48311490 ZHDTXRPKPOYHJD-AWEZNQCLSA-N 356.426 3.511 0 40 FHAB CCCn1c(C)cc(C(=O)CSc2nc3nc(C)cc(C)n3n2)c1C 3467156 XOCBGRJZUDYQQL-UHFFFAOYSA-N 357.483 3.544 0 40 FHAB Clc1cccc(-c2noc(Cn3nnc(-c4cccc(Cl)c4)n3)n2)c1 12910607 JMVNOPLTEFGMAP-UHFFFAOYSA-N 373.203 3.745 0 40 FHAB CCSc1nnc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)s1 3592207 YPYNVYHMESTDNF-UHFFFAOYSA-N 359.860 3.573 0 40 FHAB CCOCc1c(C(=O)OCC(=O)N2[C@@H](C)CCC[C@H]2C)oc2ccccc12 3544398 BYOSFEGGPDMEEG-GASCZTMLSA-N 373.449 3.916 0 40 FHAB CC1(C)OC[C@H](NC(=O)c2ccc3ccccc3n2)[C@H](c2ccccc2)O1 3624621 KKTMEGACAHGQQI-PMACEKPBSA-N 362.429 3.857 0 40 FHAB Cc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2N(C)C)cc1 3642055 DDAGNOLPJURGOQ-UHFFFAOYSA-N 360.410 3.688 0 40 FHAB CCOc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 3659108 HFTGFODFGZOPOW-OQLLNIDSSA-N 372.808 3.845 0 40 FHAB Cc1ccc(-c2c(C)s/c(=N\S(=O)(=O)c3ccc(C)cc3)n2C)cc1 409194426 BSNCIFUEFPGKJF-VXPUYCOJSA-N 372.515 3.968 0 40 FHAB COc1ccccc1-c1nnc(NC(=O)COc2ccccc2C)s1 17248290 PQKXCUPGOWEUKM-UHFFFAOYSA-N 355.419 3.540 0 40 FHAB O=C(Nc1ccc(Nc2ccccc2)nc1)c1cnn(-c2ccccc2)n1 65488168 FVILSYKJCQHEJQ-UHFFFAOYSA-N 356.389 3.658 0 40 FHAB CC(C)CCN(C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 65575237 FRAXRXBCAMNMCQ-MRXNPFEDSA-N 359.495 3.997 0 40 FHAB C[C@@H](Sc1nc2sccc2c(=O)[nH]1)C(=O)c1c[nH]c2ccccc12 17734713 MIHITWQZOYJSDY-SECBINFHSA-N 355.444 3.829 0 40 FHAB Cc1ccc(-c2n[nH]c(SCC(=O)N3CCc4sccc4C3)n2)cc1 14169483 OUPBVRNEDHDRKL-UHFFFAOYSA-N 370.503 3.519 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1cccc(N(C)C)c1 4506429 PINXEWNYCHHZKJ-CQSZACIVSA-N 350.418 3.971 0 40 FHAB COc1ccc(Cc2ccc(F)cc2)cc1C(=O)NCc1cccnc1 66088464 VJXIKCDYEIZGSG-UHFFFAOYSA-N 350.393 3.750 0 40 FHAB COC(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 6637544 CYVHQNVAERNZSK-UHFFFAOYSA-N 351.859 3.979 0 40 FHAB COC(=O)[C@H](Oc1ccc2c3c(c(=O)oc2c1C)CCC3)c1ccccc1 4747470 FSVYEIWBNIKIGA-HXUWFJFHSA-N 364.397 3.883 0 40 FHAB CCOc1cc(C=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 4723729 GJJAATYOBFJBAR-UHFFFAOYSA-N 354.811 3.627 0 40 FHAB CCc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OCc2ccccc2)cc1 6791728 ATDKZSZUVFRBPX-LJQANCHMSA-N 366.486 3.785 0 40 FHAB CC(=O)c1sc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)nc1C 6881788 VTRRJCVWBQADSP-UHFFFAOYSA-N 366.446 3.970 0 40 FHAB Cc1oc(-c2ccccc2)nc1CC(=O)NCCSCc1ccco1 6825232 GXSWVTLCCIPUJW-UHFFFAOYSA-N 356.447 3.835 0 40 FHAB Cc1ccc(C(=O)OCC(=O)NCc2cccc(C(F)(F)F)c2)cc1F 67198376 WASHPZDDDAWSLR-UHFFFAOYSA-N 369.314 3.626 0 40 FHAB Cc1sc2nc(CN3CCCC3)nc(Sc3ncccn3)c2c1C 8726294 WCPQLPGSIQNKLO-UHFFFAOYSA-N 357.508 3.845 0 40 FHAB COc1ccc(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)C)cc3)CC2=O)cc1 408656927 HXLJECASFTZABD-HNNXBMFYSA-N 367.445 3.951 0 40 FHAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)N(C)Cc2ccccc2)o1 7194734 YISDOTFUYUVHEM-ZDUSSCGKSA-N 357.435 3.777 0 40 FHAB Cc1cccc2nc(CN(C)Cc3ccc(Cl)c(Cl)c3)cc(=O)n12 7579424 BYZGHHWPAWOYDT-UHFFFAOYSA-N 362.260 3.942 0 40 FHAB C[C@@H](NC(=O)COC(=O)c1ccccc1F)c1ccc2c(c1)CCCC2 7838036 YJSUJYGAAOVXBQ-CQSZACIVSA-N 355.409 3.739 0 40 FHAB COC(=O)[C@H](CCSC)NC(=O)c1ccc(-c2ccccc2Cl)o1 7962882 PUSDVXAWBUKBDL-ZDUSSCGKSA-N 367.854 3.625 0 40 FHAB COc1ccc(NC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)c(OC)c1 9194365 DFYACDLLRGOUJD-UHFFFAOYSA-N 353.374 3.679 0 40 FHAB CC[C@@H](CNC(=O)CSc1nc(N)c2ccsc2n1)c1ccccc1 9221270 RBWODZVALSKPMB-LBPRGKRZSA-N 372.519 3.676 0 40 FHAB CCc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccco2)n1 9575754 XERMNQLGUIUNKW-UHFFFAOYSA-N 355.419 3.732 0 40 FHAB Cc1cc(NC(=O)[C@H](Sc2nnc(C)n2C2CC2)c2ccccc2)no1 9455663 WRSGSHQRUHILSI-MRXNPFEDSA-N 369.450 3.690 0 40 FHAB Cc1nc(C2(NC(=O)c3cc(F)c(F)c(F)c3F)CCCCC2)no1 89718171 RGHBFDYHMWZICQ-UHFFFAOYSA-N 357.307 3.524 0 40 FHAB CC(C)CN1C(=O)c2ccc(C(=O)Nc3cccc4[nH]ccc34)cc2C1=O 72401720 IYBVGPRMVJFQGQ-UHFFFAOYSA-N 361.401 3.672 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3Cl)nn2C)cc1 72406444 ILDSFACVWUKJIN-UHFFFAOYSA-N 368.824 3.951 0 40 FHAB C[C@H](OC(=O)[C@H]1CCCc2cn[nH]c21)C(=O)Nc1ccc2ccccc2c1 95443990 FMSCCFYDJRGXDM-UGSOOPFHSA-N 363.417 3.553 0 40 FHAB CCNC(=O)C(C)(C)CNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 84789439 BXMOJYNRGPQRLA-SFHVURJKSA-N 370.518 3.799 0 40 FHAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-n2ccnc2)nc1 95963599 WMVZPOXHLFHJKT-OAHLLOKOSA-N 356.813 3.717 0 40 FHAB C[C@H](Nc1ccc(N2CCOC2=O)cc1)c1nnc(-c2ccccc2)o1 79912433 OFAGICLTIKQTLL-ZDUSSCGKSA-N 350.378 3.866 0 40 FHAB COc1ccccc1N1C(=O)C[C@@H](Nc2cccc(Cl)c2Cl)C1=O 36635600 FYXHSWTUOFEEFU-GFCCVEGCSA-N 365.216 3.746 0 40 FHAB CC(C)(C)N1CCC(NC(=O)c2ncccc2Oc2ccccc2)CC1 519804410 GCBRHMQDDXHUEA-UHFFFAOYSA-N 353.466 3.867 0 40 FHAB CCN(Cc1ccccc1)C(=O)COc1ncnc2sc(C)c(C)c12 39562431 UVSWQCCGAKJKCC-UHFFFAOYSA-N 355.463 3.736 0 40 FHAB CCCCCNc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(=O)O 217581111 QOCONDWPICBVAL-UHFFFAOYSA-N 368.499 3.598 0 40 FHAB Cc1ccc(C)c(OCC(=O)NCC2(c3ccccc3)CCOCC2)c1 39758450 MGZDEFMEDSJYNO-UHFFFAOYSA-N 353.462 3.547 0 40 FHAB CCOc1ccc([C@H](C)NS(=O)(=O)c2cccc(Cl)c2)cc1OC 32831160 BBTIPQIWOQPHQX-LBPRGKRZSA-N 369.870 3.787 0 40 FHAB C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccc(Br)cc3)ccc2N1 78403910 CXJSKBVLOXFJIH-SNVBAGLBSA-N 367.268 3.606 0 40 FHAB COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1COC(C)C 224429290 NZKNVVABVGVUEA-UHFFFAOYSA-N 368.477 3.583 0 40 FHAB Cc1cc(N2CCCCCC2)nc(NC(=S)NCc2ccc(C)o2)n1 225916210 AGCSUFQRDSBVHV-UHFFFAOYSA-N 359.499 3.553 0 40 FHAB O=C1Nc2ccccc2O[C@H]2C[C@@H]1N(Cc1ccc(C(F)(F)F)cc1)C2 225480336 RBAMZJBIEUIUKO-HOCLYGCPSA-N 362.351 3.679 0 40 FHAB biogenic,in-vitro C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)S1 222592136 NITPBPHDNPWEKE-ZMYBRWDISA-N 361.474 3.857 0 40 FHAB Cc1ccc(OC[C@@H](C)NC(=O)COc2ccc3c(c2)CCCC3)cc1 224635189 IFNFIGVEIOPUIP-QGZVFWFLSA-N 353.462 3.836 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 42646666 QAEITBVBVORUPD-RNCFNFMXSA-N 362.779 3.992 0 40 FHAB CC(C)n1c(Cl)nc2cc(C(=O)NCC(=O)Nc3ccccc3)ccc21 222565753 PKZGJVLCCKNESU-UHFFFAOYSA-N 370.840 3.639 0 40 FHAB COc1ccc(CN2CCC3(CCN(C(=O)c4ccsc4)CC3)C2)cc1 96046656 VTRYDKAQYWJUGW-UHFFFAOYSA-N 370.518 3.885 0 40 FHAB Cc1cccc(COC[C@@H]2CC3(CCN(Cc4ccoc4)CC3)CO2)n1 96207277 QMUHTIIVIZYEDA-FQEVSTJZSA-N 356.466 3.571 0 40 FHAB O=C(CNC(=O)Nc1ccccc1F)Nc1cc(Cl)ccc1Cl 9218357 HKAPANINWCCRMU-UHFFFAOYSA-N 356.184 3.893 0 40 FHAB CCN1C[C@@H](c2ccccc2)CC2(CCN(c3cc(OC)ncn3)CC2)C1 91390930 ZVEYJJGLMQYSKW-IBGZPJMESA-N 366.509 3.581 0 40 FHAB Cn1nc(C2CCCC2)cc1NC(=O)Cc1cc2ccccc2c(O)n1 580695484 HCIVOSQCVVGQJW-UHFFFAOYSA-N 350.422 3.513 0 40 FHAB CC(C)n1nccc1-c1cccc(C[C@H]2CCN(C(=O)C(C)(C)C)C2)n1 257251048 JPELDFRDLNNBGY-MRXNPFEDSA-N 354.498 3.963 0 40 FHAB O=C(NCc1ccc(C(F)(F)F)cc1)N[C@@H]1CCc2ccc(O)cc21 663525794 JIIMGFJEJMGWEM-MRXNPFEDSA-N 350.340 3.898 0 40 FHAB COc1ccc(Cl)cc1NC(=O)NC[C@@H](OC)c1ccccc1OC 96385375 KNMBYZJIFJJQDZ-QGZVFWFLSA-N 364.829 3.866 0 40 FHAB Cc1cc(C)n(-c2ccc(COC(=O)c3cc(=O)[nH]c4ccccc34)cc2)n1 61085958 DABSMICYASSCLD-UHFFFAOYSA-N 373.412 3.688 0 40 FHAB Cc1ccc(Cc2cnc(NC(=O)N3CCN(C(C)C)CC3)s2)cc1 72280724 OKPGMQDYWLZAQT-UHFFFAOYSA-N 358.511 3.600 0 40 FHAB Cc1cc(C(=O)N2CCC[C@H](c3ncncc3-c3ccncc3)C2)c(C)[nH]1 12117203 HCTFLSDTBKJEMO-KRWDZBQOSA-N 361.449 3.503 0 40 FHAB O=C(Nc1cnn(Cc2ccc(F)cc2)c1)[C@@H]1Cc2cc(Cl)ccc2O1 12192981 SLKBVFWSQZOLCE-SFHVURJKSA-N 371.799 3.666 0 40 FHAB Cc1ncc(-c2ccncc2)c(CN(Cc2ccccc2)C(=O)C2CC2)n1 12338015 XXLRVROXLBOLGJ-UHFFFAOYSA-N 358.445 3.786 0 40 FHAB O=C(CSCc1c(Cl)cccc1Cl)NCCCN1CCCC1 13675367 LAEYBFSDTSNBAB-UHFFFAOYSA-N 361.338 3.829 0 40 FHAB COc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1OC 14264030 GVXNBJKNYKXESF-UHFFFAOYSA-N 352.390 3.930 0 40 FHAB C[C@]1([C@]2(C)NN=C(c3ccccc3)S2)NN=C(c2ccccc2)S1 16605307 DFKBKQAGOIUZMD-HDICACEKSA-N 354.504 3.815 0 40 FHAB CCOc1ccc(N2C(=O)C[C@@H](n3cnc4cc(C)c(C)cc43)C2=O)cc1 17724481 XLPONQPUIZURKH-LJQANCHMSA-N 363.417 3.556 0 40 FHAB CCN1CCC[C@H]1CNc1ncc(-c2cnccn2)c(-c2cccs2)n1 19527271 FAQNDSLDLFDKPR-AWEZNQCLSA-N 366.494 3.558 0 40 FHAB Cc1ccc(C(=O)N[C@H](C)CCN2CCCCCC2)cc1N1CCCC1 19716224 SOARKECBZGVDFO-LJQANCHMSA-N 357.542 3.980 0 40 FHAB C=CCOc1cccc(/C=C2\C(=O)N(CCCC)C(C)=C2C(=O)OC)c1 6322989 KLIFXOMIRIHVQG-JXAWBTAJSA-N 355.434 3.724 0 40 FHAB Cn1nccc1C1CCN([C@@H](C(=O)O)c2ccc(Cl)cc2Cl)CC1 516479143 GBUGIBYGGLQFHM-MRXNPFEDSA-N 368.264 3.732 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(c3cccc(C)c3)CC2)c1C 36389524 NYUKKWDIHDMFGW-QGZVFWFLSA-N 367.493 3.536 0 40 FHAB COC(=O)c1ccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 3893148 UDRPULWBPIXQHG-UHFFFAOYSA-N 364.426 3.948 0 40 FHAB CCOc1ccc(CC(=O)N2CCN=C2SCc2cccc(F)c2)cc1 4119904 DDBQLKZRWJGAGB-UHFFFAOYSA-N 372.465 3.899 0 40 FHAB O=C(CSc1ccc(-c2cccnc2)nn1)Nc1ccc(F)c(F)c1 4392068 MLWHUPMSHXKZSJ-UHFFFAOYSA-N 358.373 3.548 0 40 FHAB O=C(CSc1ccc(-c2cccnc2)nn1)Nc1cccc(Cl)c1 4392104 MGZKFBZHBPODEZ-UHFFFAOYSA-N 356.838 3.923 0 40 FHAB Cc1ccc(C)c(OCCn2c(CN3CCOCC3)nc3ccccc32)c1 19939680 XMJNQGHIGJEEOK-UHFFFAOYSA-N 365.477 3.564 0 40 FHAB CCN1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2cccc(C)c2)CC1 22460082 BNNOXCNTTHVEHA-FXAWDEMLSA-N 371.550 3.554 0 40 FHAB CCOc1ccc2cccc(NC(=O)c3ccc4nsnc4c3)c2n1 49415274 LLVFMQNFBXRTOQ-UHFFFAOYSA-N 350.403 3.891 0 40 FHAB O=C(N1CC[C@H](Oc2ccncn2)C1)C1(c2ccc(Cl)cc2)CCCC1 575611394 WUVKGVGVGKJIBJ-KRWDZBQOSA-N 371.868 3.622 0 40 FHAB O=S(=O)(CCC(F)(F)F)N[C@H](c1ccsc1)c1cccs1 618256833 XTCIAUDBBBNYTI-LLVKDONJSA-N 355.428 3.771 0 40 FHAB C[C@H]1C[C@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(Cl)nc2)o1 30368752 LTBTVJXOGJMMAQ-XHDPSFHLSA-N 366.870 3.805 0 40 FHAB CCc1nnc(NC(=O)[C@H](C)Oc2ccc(C)cc2Br)s1 40140292 KIKMCWXFMMWHRW-VIFPVBQESA-N 370.272 3.577 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2C)c(C)c1 779136 XVGJWHAJVIKOEM-UHFFFAOYSA-N 352.463 3.830 0 40 FHAB Cc1cc(C)c(C(=O)NCc2ccco2)c(C)c1C(=O)NCc1ccco1 844072 VPRPECVLCRJJER-UHFFFAOYSA-N 366.417 3.658 0 40 FHAB COc1cccc(CC(=O)N(C)c2nnc(-c3cccc(C)c3)s2)c1 1345394 CJWWJTPOIOADQC-UHFFFAOYSA-N 353.447 3.728 0 40 FHAB Cc1ccc2c(c1)[C@@]1(S[C@H](C)C(=O)N1c1ccc(Cl)cc1)C(=O)N2 1592907 AXMXQDBPLGTQAW-ADLMAVQZSA-N 358.850 3.922 0 40 FHAB CCCCn1nnc(NC(=O)c2cccc3c(Br)cccc23)n1 2360360 OHKXGXPLLDDPMO-UHFFFAOYSA-N 374.242 3.641 0 40 FHAB COc1ccc(-c2cc(Cn3nnc(-c4ccc(Cl)cc4)n3)on2)cc1 11285604 NRYQPZDQXNBATO-UHFFFAOYSA-N 367.796 3.705 0 40 FHAB COc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc(C)cc23)cc1OC 4313325 QYQMHHOGPKLFST-FOIQADDNSA-N 354.406 3.782 0 40 FHAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccoc3C)n2C)c1 4860719 RTWUUJOXRWMDGG-UHFFFAOYSA-N 356.451 3.731 0 40 FHAB CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(OC)c(Cl)c1 6606042 HBJAUXBWOKWJRD-UHFFFAOYSA-N 363.797 3.577 0 40 FHAB CCCCc1ccc(Nc2nnc(SCC(=O)NCC)s2)cc1 6787205 SDZAYLOIQGAAHB-UHFFFAOYSA-N 350.513 3.853 0 40 FHAB C[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccc(F)cc1 7218130 VUDSYRRBYOASSJ-MRVPVSSYSA-N 364.261 3.689 0 40 FHAB Cc1sc(NC(=O)CN2CCCCCC2=O)nc1-c1ccc(F)cc1 29146637 COEACWMDFIUDSZ-UHFFFAOYSA-N 361.442 3.599 0 40 FHAB COc1ccccc1NC(=O)CSc1nccn1Cc1ccccc1 7391541 VTWDCEMKZLGCEU-UHFFFAOYSA-N 353.447 3.671 0 40 FHAB CCCCc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 7842619 QHFSIFWCPJMZJP-UHFFFAOYSA-N 360.479 3.532 0 40 FHAB COc1cccc(OCC(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)c1 32100884 RWPDOQQVJIBCEA-UHFFFAOYSA-N 350.418 3.747 0 40 FHAB CCc1ccccc1N1C(=O)C[C@H](Nc2ccc(Br)cc2)C1=O 101275735 FMCLEHSQMHVDOF-HNNXBMFYSA-N 373.250 3.756 0 40 FHAB CN(C)C(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 2621750 VDRHZKFQVYDOMU-UHFFFAOYSA-N 374.849 3.862 0 40 FHAB COc1ccc(NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1Cl 102180275 DAYHEIQRPQFHRN-AVGNSLFASA-N 351.830 3.657 0 40 FHAB CCCOc1ccc(C(=O)Nc2nnc(SCC)s2)cc1OC 2653594 XKJOAFBLKXNORD-UHFFFAOYSA-N 353.469 3.700 0 40 FHAB CC(C)Cc1nc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)no1 32908071 ZGHRIIOYYIEVGT-UHFFFAOYSA-N 368.403 3.609 0 40 FHAB CSc1ccc(NC(=O)CSCC(=O)Nc2ccc(F)cc2)cc1 12038182 CBRSGGRMJMZXJO-UHFFFAOYSA-N 364.467 3.858 0 40 FHAB Cc1ccc(N2C(=O)C[C@H](Cc3ccc(Br)cc3)C2=O)cc1 647604 FJJFPRGPYXMBDS-AWEZNQCLSA-N 358.235 3.880 0 40 FHAB O=C(COc1cc(Cl)c(Cl)cc1Cl)O[C@H]1CCCC[C@@H]1O 682521 MVSZPMNILBYIPQ-RYUDHWBXSA-N 353.629 3.872 0 40 FHAB Cc1ccc(C(C)C)c(OCC(=O)Nc2sc(C)c(C)c2C(N)=O)c1 674647 ULLMBIFMJLRAPZ-UHFFFAOYSA-N 360.479 3.913 0 40 FHAB C[C@@H]1CCCCN1CCCCNC(=O)c1cc(Br)ccc1F 46989066 RTCYJBZEQVQUAN-CYBMUJFWSA-N 371.294 3.973 0 40 FHAB COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CCC(=O)O 730670 YMEGKEGCAZIDQU-UHFFFAOYSA-N 361.419 3.622 0 40 FHAB O=c1oc2ccccc2n1CN1CCN(Cc2cccc3ccccc23)CC1 22775578 WQOKOQSLVSCGLU-UHFFFAOYSA-N 373.456 3.523 0 40 FHAB Cc1nccn1-c1ncccc1NC(=O)CSc1ccc(F)c(F)c1 47174402 HJVMJVQCNRLVDD-UHFFFAOYSA-N 360.389 3.585 0 40 FHAB CN(Cc1c(F)cccc1Cl)CN1C(=O)NC2(CCCCCC2)C1=O 23642172 AXFGAOAUDLFKRE-UHFFFAOYSA-N 367.852 3.513 0 40 FHAB C[C@H](Sc1nccc(C(F)(F)F)n1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 105139493 WQQMXWKYIABOTL-FIQHERPVSA-N 361.433 3.917 0 40 FHAB CCOc1ccc([C@@H]2SC[C@H]3C(=O)N(c4ccccc4)C(=S)N23)cc1 1443750 MPDDKPHLUUHKJM-WMZOPIPTSA-N 370.499 3.833 0 40 FHAB CCOc1ccc2c(c1)CN(C(=O)NCc1cccc3cccnc13)CC2 69448689 DQSQMXFCDXQCDX-UHFFFAOYSA-N 361.445 3.901 0 40 FHAB C[C@H](NC(=S)CCc1ccccc1)[C@@H](c1ccccc1)N1CCOCC1 25329171 STUGGEMQWKTUDZ-AVRDEDQJSA-N 368.546 3.998 0 40 FHAB Cc1nn(Cc2ccc(C(=O)NCc3cccnc3)cc2)c(C)c1Cl 28576145 HTPAENVGEHNIQF-UHFFFAOYSA-N 354.841 3.527 0 40 FHAB CCOc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(OC)cc2OC)cc1 3394712 MLJCRGDGQGHYMN-ZDUSSCGKSA-N 358.390 3.531 0 40 FHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCCc1ccccc1 10042808 DHVJLAHTOJUMIE-UHFFFAOYSA-N 372.472 3.791 0 40 FHAB CC(C)(C)c1ccc2c(c1)OCC(=O)N2CC(=O)Nc1cc(F)ccc1F 44841560 VPNQJHFEQNQDSO-UHFFFAOYSA-N 374.387 3.626 0 40 FHAB CCCc1noc(CCCC(=O)N2CCc3c([nH]c4ccccc34)[C@H]2C)n1 58265189 UXPGOTRDYZTIIL-CQSZACIVSA-N 366.465 3.972 0 40 FHAB C[C@H]1CN(CCCNC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 12733543 YIHDQEJFWRGHQH-RYUDHWBXSA-N 360.285 3.614 0 40 FHAB O=C(COc1cccc2ccccc12)NCc1nc(-c2cccs2)no1 24577114 URJMCJUKWRBEJS-UHFFFAOYSA-N 365.414 3.647 0 40 FHAB COc1cc(C)c(NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1OC 12755753 YRNFQWWOAAMEBQ-UHFFFAOYSA-N 367.405 3.987 0 40 FHAB O=C(Nc1cccc(C(=O)N2CCC[C@H]2c2ccsc2)c1)[C@H]1CCCO1 48249368 GXPRVSFFOYTRPZ-ZWKOTPCHSA-N 370.474 3.843 0 40 FHAB COc1cccc(Oc2ccc(C(F)(F)F)cc2NS(C)(=O)=O)c1 3434588 LIXZDPKIYRBIMC-UHFFFAOYSA-N 361.341 3.878 0 40 FHAB CC(=O)c1cccc(OCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)c1 3417281 PGOJRNKVOUEFJC-UHFFFAOYSA-N 352.390 3.855 0 40 FHAB CCN(Cc1cccs1)C(=O)Cn1nnc(-c2ccc(C(C)C)cc2)n1 12940249 QIPVCJUNTITPAC-UHFFFAOYSA-N 369.494 3.574 0 40 FHAB CC1(C)CC(Nc2cc(C(=O)NC3CC3)c3ccccc3n2)CC(C)(C)N1 12901348 SHOADDAMHOGEEO-UHFFFAOYSA-N 366.509 3.848 0 40 FHAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccccc1Oc1ccccc1 12911807 AJQOWMMDLKPKRK-UHFFFAOYSA-N 357.373 3.707 0 40 FHAB C[C@H](NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)c1ccccc1Cl 12996836 YOFFTRNYVSHSNU-JTQLQIEISA-N 372.273 3.888 0 40 FHAB Cc1cccc(-c2nnc(S)n2CC(=O)N[C@H](C)c2ccccc2C)c1 12978952 INAYLKZACUTLPG-OAHLLOKOSA-N 366.490 3.728 0 40 FHAB C[C@@H](NC(=O)COC(=O)c1csc2c1CCCC2)c1ccc(F)cc1 3548756 OCVGPUAPRBONJP-GFCCVEGCSA-N 361.438 3.800 0 40 FHAB Cc1oc(-c2ccccc2)nc1CC(=O)NCC1(N(C)C)CCCCCC1 13010380 YHOWJZJLVCMNKW-UHFFFAOYSA-N 369.509 3.963 0 40 FHAB COc1ccc(CNCc2ccc(NC(=O)NC(C)C)cc2)cc1OC 48784742 ITLQFGMWQNFSOL-UHFFFAOYSA-N 357.454 3.524 0 40 FHAB O=C(CSc1nnc2n1CCCCC2)c1ccc(Br)s1 6098346 KWJANUVEHVOBSM-UHFFFAOYSA-N 372.313 3.804 0 40 FHAB CCc1ccc([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(C)=O)cc1 4278777 SWYHQTREOYLYAB-LJQANCHMSA-N 352.434 3.964 0 40 FHAB Cc1cc(OCC(=O)NCc2ccc3c(c2)OCCCO3)ccc1Cl 64987097 NZNSRFXPNNUYQB-UHFFFAOYSA-N 361.825 3.505 0 40 FHAB Cc1ccc(CN2CN=C(Nc3nc(C)c4cc(C)c(C)cc4n3)NC2)cc1 20634234 FBRNGJQTTKCMPY-UHFFFAOYSA-N 374.492 3.652 0 40 FHAB COC(=O)c1ccc(CSc2nc(-c3ccc(OC)cc3)n[nH]2)cc1 6373041 DRFKIFBOWXTTLG-UHFFFAOYSA-N 355.419 3.559 0 40 FHAB CCCn1nc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c2ccccc2c1=O 14245430 FWYOHQOWWGHGRM-MAUKXSAKSA-N 353.466 3.601 0 40 FHAB Cc1ccc([C@H](NC=O)C(=O)NC(c2ccccc2)c2ccccc2)s1 4672563 VPQPXPSMBRNKJR-FQEVSTJZSA-N 364.470 3.749 0 40 FHAB CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(C)cc3C)n2)cc1 8917582 NYMKXLIFNOCJQF-UHFFFAOYSA-N 363.417 3.500 0 40 FHAB O=c1cc(CSc2ccccc2F)nc2ccc(Br)cn12 6603051 JSBWWAXZMXYIRZ-UHFFFAOYSA-N 365.227 3.888 0 40 FHAB COc1ccc(NC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)cn1 14797371 SEPNNBUGDJKDTL-UHFFFAOYSA-N 370.840 3.858 0 40 FHAB CN(C(=O)C[S@@](=O)Cc1c(Cl)cccc1Cl)c1ccccc1 66301487 GYPCMLSCOUWYHB-JOCHJYFZSA-N 356.274 3.905 0 40 FHAB CCCCC1=NN(C(=O)COc2ccc(C)c(C)c2)[C@](O)(C(F)(F)F)C1 4860678 GCJPSJWHNFDLAD-QGZVFWFLSA-N 372.387 3.712 0 40 FHAB CCc1noc(COC(=O)c2c3c(nc4ccc(C)cc24)CCCC3)n1 69929493 OUGBMDLTYOLNOO-UHFFFAOYSA-N 351.406 3.724 0 40 FHAB Cc1cccc(-n2c(=O)c3sccc3n(CCc3ccccc3)c2=O)c1 67258098 NPVWHNCSAYLQAB-UHFFFAOYSA-N 362.454 3.765 0 40 FHAB CCOc1cc(=O)n2c(c1C(=O)NCc1ccccc1Cl)CCCCC2 67350373 KSEYNCVHMSAGGT-UHFFFAOYSA-N 374.868 3.557 0 40 FHAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)NCC2CCCCC2)n1C 7236558 OSTOGLSZOICDLE-ZDUSSCGKSA-N 362.499 3.561 0 40 FHAB O=C(CCc1ccsc1)Nc1cccc(I)c1 7212640 OEDBMSNOVISUBL-UHFFFAOYSA-N 357.216 3.924 0 40 FHAB COc1cc(C=O)ccc1OCCOc1ccc(Br)cc1 8753679 AXWNFHMHBQVHDD-UHFFFAOYSA-N 351.196 3.728 0 40 FHAB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ncnc2sc3c(c12)CCCC3 15978947 AWQXECOAROQYDK-BETUJISGSA-N 359.495 3.738 0 40 FHAB Cc1nnc(SCC(=O)NC(=O)Nc2ccccc2)n1C1CCCCC1 7775296 SWOZPNAYYCHSGO-UHFFFAOYSA-N 373.482 3.532 0 40 FHAB CCN(CC)C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7789998 VONUTFHHKBRSAU-UHFFFAOYSA-N 369.494 3.722 0 40 FHAB CCOCCn1c([C@H]2CC(=O)N(c3cccc(C)c3)C2)nc2ccccc21 27792568 XAPOPQJFWPMMCH-KRWDZBQOSA-N 363.461 3.902 0 40 FHAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CCc2[nH]c3ccccc3c2C1 71805110 QTYWXXVAKFAJBE-QRWLVFNGSA-N 355.482 3.831 0 40 FHAB CC[C@@H](NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)[C@H]1CCOC1 72297016 SZMBHYDSYRZMFL-AZUAARDMSA-N 366.461 3.508 0 40 FHAB CC(C)[C@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 78710457 BELOGTHDXCETKJ-JXFKEZNVSA-N 360.523 3.985 0 40 FHAB O=C(Nc1nc(-c2c(F)cccc2F)cs1)[C@H]1COc2ccccc2O1 84583086 ZPWGADXHZAEADS-OAHLLOKOSA-N 374.368 3.867 0 40 FHAB C[C@H](NC(=O)[C@H]1CCCN1c1nccs1)C12CC3CC(CC(C3)C1)C2 84633286 IUIPDKNSRZBQBY-JWMYSTGGSA-N 359.539 3.833 0 40 FHAB CCc1c(C(=O)Nc2cccc3c2OCCO3)cnn1-c1ccc(F)cc1 95364919 WXKXTOYJCUTBKK-UHFFFAOYSA-N 367.380 3.597 0 40 FHAB COCc1nc(N[C@@H](C)c2nc[nH]n2)c2c(-c3ccccc3)csc2n1 95455204 QJYOKAOVCAHOQC-NSHDSACASA-N 366.450 3.796 0 40 FHAB CC(C)n1cc(C(=O)NCCCc2nnc3ccccn23)c2ccccc21 95472541 GBMORCUWNJSIDB-UHFFFAOYSA-N 361.449 3.628 0 40 FHAB CNC(=O)c1ccc(/C=C/C(=O)N2CCCCC[C@H]2c2cccn2C)cc1 74054543 JXDYCIVTLYFFMP-IXDOJHRFSA-N 365.477 3.542 0 40 FHAB C[C@H]1CN(c2ccc(C(=O)NCC3CCCCCCC3)cn2)C[C@@H](C)O1 95953775 KTYXNJGKNKFKMC-CALCHBBNSA-N 359.514 3.786 0 40 FHAB Cc1ccc(COc2ccc(CNC3(c4nn[nH]n4)CCCC3)cc2)cc1 95960134 FDZFPLPZPQDYCX-UHFFFAOYSA-N 363.465 3.646 0 40 FHAB Cc1cccc(C)c1C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 74951577 ARYFXRFQAYFQPH-UHFFFAOYSA-N 355.825 3.979 0 40 FHAB O=C(O)c1ccccc1Cc1nn(-c2ccccc2)c(=O)c2ccccc12 3845520 POEMDVKEHFMSMJ-UHFFFAOYSA-N 356.381 3.675 0 40 FHAB biogenic COc1cc2c(cc1OC)[C@H](NC(=O)c1ccc3c(ccn3C)c1)CC2 524733138 YIENGPGFEIHGRV-QGZVFWFLSA-N 350.418 3.613 0 40 FHAB Cc1cc(C(=O)CCCNC(=O)OC(C)(C)C)cnc1N1CCCCC1 72219144 MWBHPYGQMAIECZ-UHFFFAOYSA-N 361.486 3.868 0 40 FHAB Clc1ccc(CNc2ncnc3c2nnn3Cc2ccccc2)cc1 35314888 KWKRYXKWUTVWBS-UHFFFAOYSA-N 350.813 3.535 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)c(C)c1 219212748 TWBXJSPYZXLDLF-UHFFFAOYSA-N 366.417 3.551 0 40 FHAB O=C(Nc1cccc(F)c1)N1CCN(Cc2c(F)cccc2Cl)CC1 32611411 OPCYQVIWWSPHLV-UHFFFAOYSA-N 365.811 3.968 0 40 FHAB O=C(Cc1cccnc1)N1CCC[C@H]1c1n[nH]cc1-c1ccc(F)cc1 72380320 AEZHDYOUMNFJRQ-SFHVURJKSA-N 350.397 3.517 0 40 FHAB O=C(Cc1csc(COc2ccccc2)n1)NCc1ccccc1F 33326150 PXKFBWPDUZZCGR-UHFFFAOYSA-N 356.422 3.720 0 40 FHAB Cc1nn(C)c(C)c1/C=C/C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 32465485 ZHFXLCOERQARHS-CSKARUKUSA-N 351.454 3.863 0 40 FHAB C[C@@H](OCC(F)(F)F)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 31691102 HCFUTYWMWKPNOR-LLVKDONJSA-N 355.360 3.669 0 40 FHAB CCc1ccc(Oc2cc(N3CCC(C(=O)NC(C)C)CC3)ncn2)cc1 71328239 GRPDELPVVPXLDN-UHFFFAOYSA-N 368.481 3.572 0 40 FHAB CC(C)Cc1nc(CS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)no1 46163605 ZVNNBECPESONRL-UHFFFAOYSA-N 363.266 3.690 0 40 FHAB CC(C)Oc1ccccc1C(=O)NCC1(c2ccccc2)CCOCC1 223346232 LRKPPRSQKOBCNG-UHFFFAOYSA-N 353.462 3.952 0 40 FHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 225002873 JGCWITXOLSLFRW-OALUTQOASA-N 366.505 3.870 0 40 FHAB COc1cc(CNC(=O)COc2cccc(C)c2C)ccc1OC(C)C 222817610 PEZCAPHQEMGBRC-UHFFFAOYSA-N 357.450 3.794 0 40 FHAB COc1ccc(CNC(=O)CCSc2ccccc2)c(OC)c1OC 45402464 QQLBOLZMPIIPBC-UHFFFAOYSA-N 361.463 3.511 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 225630366 NXWXUHADEFEFAF-CYBMUJFWSA-N 369.446 3.928 0 40 FHAB CCc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)CC)cc2)cc1 225502758 AODGMCVHJCKGLN-CQSZACIVSA-N 360.479 3.502 0 40 FHAB Cc1ccc(NC(=O)C(C)(C)Oc2nn(-c3ccccc3)cc2C)nc1 227151186 HMWDSSVCUMTWGB-UHFFFAOYSA-N 350.422 3.680 0 40 FHAB CC(C)Cc1ccccc1CNC(=O)Nc1ccc(C(=O)N(C)C)cc1 528881854 VWJTXFVOSPBHEE-UHFFFAOYSA-N 353.466 3.909 0 40 FHAB CCOC(=O)[C@@H](C)Nc1ccc(C)cc1C(=O)N[C@H](C)c1ccccc1 95951474 WCGWYXFYFPCELY-HZPDHXFCSA-N 354.450 3.850 0 40 FHAB CCOC(=O)[C@@H](C)Nc1ccc(C)cc1C(=O)N[C@@H](C)c1ccccc1 95951472 WCGWYXFYFPCELY-JKSUJKDBSA-N 354.450 3.850 0 40 FHAB Cc1cccnc1Nc1cc(C2CCN(Cc3cn(C)cn3)CC2)ccn1 257210297 BUABCZYVYJJWGW-UHFFFAOYSA-N 362.481 3.642 0 40 FHAB Cc1cc(CC2CCN(C(=O)CCn3ccnc3C(C)C)CC2)ccn1 257207430 BHSBHEIMKJIJTP-UHFFFAOYSA-N 354.498 3.581 0 40 FHAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c1 260793504 KKQZBBXRWDGPAM-PMUQWRBBSA-N 364.445 3.664 0 40 FHAB O=C([C@@H]1CCCC[C@@H]1N1CCCC1=O)N1CC(Cc2ccccc2Cl)C1 612124972 CEKPJCJZXVWZKB-MJGOQNOKSA-N 374.912 3.522 0 40 FHAB CC[C@@H](NC(=O)N[C@@H](c1cccs1)C(C)(C)CO)c1c(C)noc1C 664535604 PRYQRVSNYXLIBJ-CJNGLKHVSA-N 365.499 3.863 0 40 FHAB CCSCc1ccccc1C(=O)N1CCC(n2cc(N(C)C)cn2)CC1 597696063 BCZHZEDEQNEBSE-UHFFFAOYSA-N 372.538 3.680 0 40 FHAB C[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)[C@H](C)CN1C 1264016746 YMBMJWTUEDXIQC-GHMZBOCLSA-N 368.264 3.813 0 40 FHAB CCOc1ccc([C@H](C)NC(=O)Cc2ccc(OC)cc2)cc1OCC 5510615 UUEOYENOVDINMM-HNNXBMFYSA-N 357.450 3.913 0 40 FHAB NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)CC2CCCC2)CC1 12254522 DFEQZPGXVTZHGL-UHFFFAOYSA-N 365.477 3.620 0 40 FHAB Cc1ccc(C)c(-n2ccnc2SCc2cc(=O)n3ccsc3n2)c1 12540283 GYHADARHSSUIOA-UHFFFAOYSA-N 368.487 3.851 0 40 FHAB CC(=O)N1CCc2c([nH]c3ccccc23)[C@]12C(=O)N(C(C)C)c1ccccc12 13635217 CEUGVTDLAINMHE-HSZRJFAPSA-N 373.456 3.571 0 40 FHAB O=C(Cn1cc(-c2ccccc2)[n+]2c1CCC2)Nc1ccccc1Cl 16971485 XPVSVOOWZBWPMY-UHFFFAOYSA-O 352.845 3.681 0 40 FHAB CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccnc2)C1 19081983 WTBFKTLBPMKSLY-QUCCMNQESA-N 366.509 3.592 0 40 FHAB Cc1cc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)c2cccc(F)c2)on1 19121395 QLNZYFWFMVWSMC-KRWDZBQOSA-N 368.412 3.890 0 40 FHAB O=c1cc([C@H]2CCCCN2Cc2ccccc2F)nc(-c2cccnc2)[nH]1 19349094 JXFVUIMHBPFPDC-LJQANCHMSA-N 364.424 3.698 0 40 FHAB CCCc1ncc(CN2C[C@@H]3[C@@H](CCC[C@@]3(O)c3ccc(F)cc3)C2)cn1 19525725 AOMHEQYOLXBIKC-UCNVEGJOSA-N 369.484 3.688 0 40 FHAB Cc1nn(C)c(C)c1CCn1cncc1-c1ccc2c(c1)CC[C@@H](C)N2C 19719342 HLIXBPNLAWXROZ-OAHLLOKOSA-N 363.509 3.914 0 40 FHAB COc1ccc(C(=O)CS(=O)(=O)c2ccc3ccccc3c2)cc1OC 19850104 YHTCRIMZYHXUJO-UHFFFAOYSA-N 370.426 3.514 0 40 FHAB O=C(Nc1ccc([C@@H]2Nn3cnnc3S2)cc1)c1cccc(Cl)c1 19894067 YKGYHKGNIOMUKU-OAHLLOKOSA-N 357.826 3.532 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(OC)cc1 19933783 UMNUHZVTZIYZFI-AWEZNQCLSA-N 372.490 3.954 0 40 FHAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1cccc(Br)c1 20029870 YCXKJFSEJNPWHV-SNVBAGLBSA-N 358.232 3.628 0 40 FHAB O=C(O)C[C@H](Cc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 4618985 CSKGFBGBSIVICU-ZDUSSCGKSA-N 367.323 3.857 0 40 FHAB COc1cccc(-c2noc(C(=O)NCc3cc(C)nc4ccccc34)n2)c1 4623077 BGGHJAUXPBDAIT-UHFFFAOYSA-N 374.400 3.532 0 40 FHAB O=c1ccc(-c2ccc3c(c2)OCO3)nn1Cc1cccc2ccccc12 5398583 SDKICEJRLJWZFE-UHFFFAOYSA-N 356.381 3.841 0 40 FHAB O=C(Nc1ccc(F)c(F)c1F)c1ccc(=O)n(Cc2ccccc2)c1 7573780 XJRKOTOXBPEPMG-UHFFFAOYSA-N 358.319 3.566 0 40 FHAB CCn1/c(=N/C(=O)c2ccc(OC)c(OC)c2)sc2cccc(F)c21 100909289 ZOUNSGHZWRWXNQ-ZZEZOPTASA-N 360.410 3.620 0 40 FHAB Cc1ccccc1[C@H]1CCN(S(=O)(=O)CCC(F)(F)F)CCS1 219307239 XNIIPBCJJQGEMY-CQSZACIVSA-N 367.458 3.757 0 40 FHAB CCCCOc1ccc(C(=O)NCc2cccnc2-c2cnn(C)c2)cc1 575618791 OWTSPNKKSMFUGG-UHFFFAOYSA-N 364.449 3.591 0 40 FHAB COc1ccc(CN(C)C(=O)c2ccc(-n3ccnc3SC)cc2)cc1 40135729 XIERRVKQSROKSJ-UHFFFAOYSA-N 367.474 3.875 0 40 FHAB Cc1ccc(CNC(=O)C2CCN(C(=O)C3CCCCC3)CC2)cc1F 40113883 MPDVEUSMMWIUOZ-UHFFFAOYSA-N 360.473 3.569 0 40 FHAB Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O 904298 URETVCPULDXQBT-UHFFFAOYSA-N 374.444 3.971 0 40 FHAB Cc1cc(C)cc(OCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1 1082912 GUVCNXFFHKAQPY-UHFFFAOYSA-N 358.869 3.684 0 40 FHAB Cc1ccc(CNC(=O)CSc2nnc(-c3ccc(C)cc3)o2)cc1 1330177 NZETZQSVHPYXET-UHFFFAOYSA-N 353.447 3.762 0 40 FHAB CN(C)P(=O)(N(C)C)n1c(Nc2ccccc2)nnc1-c1ccccc1 1727634 ZUPRDGUSURUPGX-UHFFFAOYSA-N 370.397 3.768 0 40 FHAB O=C(NCCC1=CCCCC1)NC1(C(F)(F)F)Oc2ccccc2O1 2725289 AAUPSWUWMMXILS-UHFFFAOYSA-N 356.344 3.864 0 40 FHAB Cc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 3481592 DCXSNSMWJTWHKI-UHFFFAOYSA-N 372.490 3.730 0 40 FHAB O=C(CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1)Nc1ccccc1 4726210 VPOQJFPHJNQFEN-DHZHZOJOSA-N 354.410 3.845 0 40 FHAB c1ccc(-c2nc3c4ccccc4nc(NCc4ccccn4)n3n2)cc1 6803033 LXYBNUJHEGZKME-UHFFFAOYSA-N 352.401 3.952 0 40 FHAB COc1ccc(C)cc1NS(=O)(=O)c1ccccc1Br 7056418 HPMMHCHYIMUIOQ-UHFFFAOYSA-N 356.241 3.567 0 40 FHAB O=C(/C=C/c1ccc(N2CCCC2=O)cc1)Nc1ccc(F)c(F)c1F 11370598 QTKQYMOTSJXODU-BJMVGYQFSA-N 360.335 3.883 0 40 FHAB O=C(Nc1ccc(I)cc1)C1(c2ccccc2)CC1 7772115 WSAQHYLIAICSNQ-UHFFFAOYSA-N 363.198 3.962 0 40 FHAB Cc1cc(F)ccc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 7541625 XEIXSZTUECRYCA-UHFFFAOYSA-N 358.457 3.795 0 40 FHAB COc1ccc(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)c(OC)c1 32102281 HYPZMYBDZOECSN-UHFFFAOYSA-N 350.418 3.990 0 40 FHAB COc1ccc(-c2cc(-c3nn4c(C5CC5)nnc4s3)no2)cc1F 20722092 MGTNOSDDBFHCMJ-UHFFFAOYSA-N 357.370 3.533 0 40 FHAB CC(C)c1ccc(-c2nc(CC(=O)N3CCC[C@H](C(=O)O)C3)cs2)cc1 20729794 QMTNKJAVXKOFDP-INIZCTEOSA-N 372.490 3.799 0 40 FHAB Cc1cccc(NC(=S)N2[C@H]3CCC[C@H]2CC(NC(=O)C2CC2)C3)c1C 100427098 NIBOTOGIPWFKPP-ROUUACIJSA-N 371.550 3.912 0 40 FHAB Cc1ccc(-c2noc(COc3ccccc3C(=O)N3CCCC3)n2)cc1 32579181 XZWIGXCFHBDHPK-UHFFFAOYSA-N 363.417 3.860 0 40 FHAB O=C(CSc1nc([C@@H]2CCCO2)n[nH]1)Nc1ccc2ccccc2c1 32873973 CYNAIOVQNFFECB-HNNXBMFYSA-N 354.435 3.540 0 40 FHAB COc1ccc(Cl)cc1C(=O)NCc1ccccc1Cn1ccnc1 32855864 FONCGNFDQCAOBR-UHFFFAOYSA-N 355.825 3.523 0 40 FHAB COC(=O)CCCCCCNC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 32900488 BJUPFDRACFZSPL-UHFFFAOYSA-N 365.429 3.751 0 40 FHAB Cc1cc(C(=O)COC(=O)C2=Cc3cccc(O)c3OC2)c(C)c(C)c1C 32933294 QVLOGSMSJAEPGD-UHFFFAOYSA-N 366.413 3.828 0 40 FHAB CNC(=O)Nc1ccc(NC(=O)c2csc(-c3ccc(F)cc3)n2)cc1 32903313 UJFDERIKUXSECW-UHFFFAOYSA-N 370.409 3.953 0 40 FHAB CN(C)S(=O)(=O)c1ccc2nc(SCc3ccccc3)sc2c1 59417622 NXJTXSLVPXJGQA-UHFFFAOYSA-N 364.517 3.839 0 40 FHAB C[C@@H](NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1cc2ccccc2o1 46690745 MXXAUJTYMPIJNX-WBVHZDCISA-N 369.465 3.538 0 40 FHAB COC(=O)c1sc(NC(=O)c2cc(C)c(C)s2)c(C(=O)OC)c1C 2732156 YJIHEJCIUXNWSL-UHFFFAOYSA-N 367.448 3.560 0 40 FHAB Cc1ccc(-c2noc(CSc3nnnn3C3CCCCC3)n2)cc1 2776455 ARRWVANWYKVRSD-UHFFFAOYSA-N 356.455 3.829 0 40 FHAB CCC(=O)Nc1nnc(SCc2ccccc2Br)s1 624749 FMQIGVZTVGHIMJ-UHFFFAOYSA-N 358.286 3.941 0 40 FHAB O=C1C[C@H](Nc2cccc(Cl)c2Cl)C(=O)N1c1ccc(F)cc1 101276627 KWAOBLIMVNHNJV-ZDUSSCGKSA-N 353.180 3.877 0 40 FHAB Cc1ccc([C@H](CNS(=O)(=O)c2ccc3ccccc3c2)N(C)C)cc1 10090580 DNYWWEMEQATTQG-NRFANRHFSA-N 368.502 3.729 0 40 FHAB Cc1ccc(Cl)c(Oc2ccc(S(=O)(=O)N3CCCC3)cn2)c1 12536347 JIIOEVMLYUDDFE-UHFFFAOYSA-N 352.843 3.620 0 40 FHAB O=C(c1ccccc1Cc1ccccc1)N1CCN(c2ccncc2)CC1 24086639 GUQZXYNSEQRTOJ-UHFFFAOYSA-N 357.457 3.635 0 40 FHAB COc1cccc(-c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)cs2)c1OC 24033951 LGEIRNLDZFZCDM-UHFFFAOYSA-N 353.403 3.664 0 40 FHAB CN(C)CCN[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 22038827 WKJNSQMRGYJUCZ-KRWDZBQOSA-N 365.399 3.536 0 40 FHAB Cc1cccnc1NC(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1 24927953 XEMDMNAQWQOEHA-UHFFFAOYSA-N 352.463 3.743 0 40 FHAB CC(=O)Nc1nc(CSc2nc3cc(Cl)ccc3n2C)cs1 44050374 CUYYBVNCSTXAEF-UHFFFAOYSA-N 352.872 3.934 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N(C)Cc2ccc(F)cc2)c1C 57312698 QIERIZWZEBIDPX-AWEZNQCLSA-N 360.429 3.651 0 40 FHAB COc1ccc(/C=C2\S[C](Nc3cc(C)ccc3OC)NC2=O)cc1 408800410 PAIYIUKGNSZHCW-UHFFFAOYSA-N 355.439 3.775 0 40 FHAB CCc1ccc2oc(-c3ccc(Cl)cc3)c(OCC(N)=O)c(=O)c2c1 1987612 WSWOSVFLUNKXCA-UHFFFAOYSA-N 357.793 3.540 0 40 FHAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1c(F)cccc1F 57960983 XTWUMURSJKUHIX-UHFFFAOYSA-N 352.724 3.555 0 40 FHAB CCS(=O)(=O)Nc1ccc(NC(=O)Cc2cccc3ccccc23)cc1 57992947 FXJSDAQXSONOBK-UHFFFAOYSA-N 368.458 3.783 0 40 FHAB COCCOC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CCCC2 2085495 WELOXLXCBPLBKZ-UHFFFAOYSA-N 373.474 3.991 0 40 FHAB CC[C@@H](C)n1c(SCC(=O)Nc2cc(C)no2)nnc1-c1ccccc1 58192955 QLSZZCBRDOIEQM-CYBMUJFWSA-N 371.466 3.943 0 40 FHAB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc3ncccc23)c1OC 3312147 IBWSOPJZYHWZKV-NTCAYCPXSA-N 359.385 3.798 0 40 FHAB CC(C)c1cccc(NC(=O)CNc2ccccc2N2CCCC2=O)c1 10180136 WXECBGVZXUSBRS-UHFFFAOYSA-N 351.450 3.987 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)N1CCCN(CCCc2ccccc2)CC1 58217568 DHSZGBKTKAXDSG-FQEVSTJZSA-N 366.505 3.621 0 40 FHAB O=S(=O)(NCc1ccccc1N1CCCC1)c1ccc(F)c(Cl)c1 58342232 LXFAWMPKMIFQKK-UHFFFAOYSA-N 368.861 3.558 0 40 FHAB COc1ccc(C(=O)N(C)C)cc1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl 58366239 ZEXSPHAWXHOEDN-GJZGRUSLSA-N 372.852 3.793 0 40 FHAB CCN(CC)c1ccc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)o1 408812798 NWYCDDDRPSCVBE-BOPFTXTBSA-N 367.474 3.513 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)CNc3cccc(Cl)c3C)ccc21 12756963 GAZYYZUTFREGGB-UHFFFAOYSA-N 357.841 3.608 0 40 FHAB C[C@H](O)c1ccc(CNC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cc1 58434565 LHRKLSDQNMFMKH-MGPUTAFESA-N 356.441 3.796 0 40 FHAB C[C@H](SCc1ccccc1)C(=O)NCc1cccc(N2CCOC2=O)c1 48368348 AHZMYMARPWKVLY-HNNXBMFYSA-N 370.474 3.581 0 40 FHAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cc2ccccc2o1 12894924 JMKSPXNAULWWDM-CYBMUJFWSA-N 357.431 3.670 0 40 FHAB CCc1ccc(-c2nc(C(=O)Nc3ncc(C(=O)OC)s3)cs2)cc1 12890341 FDFGNDFQXGMLIO-UHFFFAOYSA-N 373.459 3.868 0 40 FHAB Cc1ccccc1CN(C)C(=O)COC(=O)c1ccc2[nH]c(C)c(C)c2c1 7783421 SZCFDMCAQHPPQZ-UHFFFAOYSA-N 364.445 3.909 0 40 FHAB C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(Oc2ccccc2)cc1 12950201 DKMULKFOJOAZED-CQSZACIVSA-N 350.374 3.829 0 40 FHAB COc1cc(C)c(NC(=O)CCc2nc(-c3ccsc3)no2)cc1OC 12908064 UHNPRGHMQWUVBT-UHFFFAOYSA-N 373.434 3.695 0 40 FHAB Cc1ccc(S(=O)(=O)[C@H](C)N2C(=O)N(C)[C@H](C)[C@H]2c2ccccc2)cc1 12954902 LCWJHQHSRNGRNU-MDZRGWNJSA-N 372.490 3.612 0 40 FHAB CCOC(=O)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 4223074 NGGKXDPQLSCRHT-UHFFFAOYSA-N 362.433 3.575 0 40 FHAB COc1ccc(N(Cc2cccs2)C(=O)CSc2ncccn2)cc1 8499883 SOLXOYYUAXZZGH-UHFFFAOYSA-N 371.487 3.872 0 40 FHAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1cn(C)c2ccccc12 5261337 KLIICPAQNTVSKY-UHFFFAOYSA-N 372.808 3.636 0 40 FHAB COc1cccc(-c2nn3c(-c4ccc(N(C)C)cc4)nnc3s2)c1 5351800 FNWXMAQZJWBDJK-UHFFFAOYSA-N 351.435 3.594 0 40 FHAB C[C@H](NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)c1ccc(Cl)cc1 14108622 DJXDDSNYKIELAO-JTQLQIEISA-N 372.273 3.888 0 40 FHAB Cc1ccc(OCCN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)cc1 14121789 DASAFJDNPSWYFS-OAQYLSRUSA-N 364.401 3.587 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 14112294 ZVHWGSUHTRQQBF-HIFRSBDPSA-N 370.419 3.511 0 40 FHAB CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)cc1 14256793 SCMXNDXGFLBYJS-UHFFFAOYSA-N 352.843 3.716 0 40 FHAB CCOC(=O)[C@@H]1C(=O)OC(C)(C)[C@@H]1[C@H](CC)C(=O)c1c(C)cc(C)cc1C 4686190 AUGICTWZDMWTJI-CGTJXYLNSA-N 374.477 3.952 0 40 FHAB COc1ccc(-c2noc(COC(=O)c3ccc(F)cc3Cl)n2)cc1 8522256 MBNTUAPXRKKRFG-UHFFFAOYSA-N 362.744 3.895 0 40 FHAB COc1ccc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1OC 6606858 ACZFZMBXXQIKME-UHFFFAOYSA-N 374.780 3.764 0 40 FHAB CCOc1ccc(C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 6844971 ABUABXABAPUHEL-UHFFFAOYSA-N 358.507 3.658 0 40 FHAB CCOC(=O)c1ccc(NC(=O)Nc2ccccc2C(=O)OCC)cc1 6956977 OEBBDJWGVAJXLG-UHFFFAOYSA-N 356.378 3.684 0 40 FHAB C[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccccc1)C(=O)NC1CC1 6993466 CFIKRHDWAJVNQX-CQSZACIVSA-N 364.474 3.694 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)c1C 15480235 WAVHDRXQNRFUHW-NSHDSACASA-N 374.510 3.775 0 40 FHAB CC[C@H](C)n1c(S[C@@H](C)C(=O)NC2CCCC2)nc2ccccc2c1=O 7237526 RFYGLPHIWVOZJB-KBPBESRZSA-N 373.522 3.907 0 40 FHAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 69949661 NEERSHUGBBCXJQ-HXUWFJFHSA-N 371.444 3.785 0 40 FHAB O=C(CCC(=O)c1ccc(F)cc1)NCc1ccc(OC(F)F)cc1 19601089 CGERCOUIJMBBKS-UHFFFAOYSA-N 351.324 3.706 0 40 FHAB COc1cc(OC)c(C(=O)Nc2ccccc2OC(F)F)cc1OC 9315735 RNFZZEUSSNGERJ-UHFFFAOYSA-N 353.321 3.566 0 40 FHAB CCn1nnnc1S[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 9376289 OWPQJOYVUVBVPL-SFHVURJKSA-N 363.446 3.891 0 40 FHAB CN(C)c1ccccc1CN1C[C@H](CCN2CCCC2=O)c2ccccc21 83403531 AFRNIMHOAYDHPT-SFHVURJKSA-N 363.505 3.869 0 40 FHAB O=C(Nc1ccccc1F)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 9499992 LOSQRLNNXXTXOT-NAVXVDNBSA-N 370.468 3.972 0 40 FHAB COc1ccc(OC)c(-c2ccc(OC(=O)c3cccc(F)c3)nn2)c1 408533723 RUFSIGDEPVHLKI-UHFFFAOYSA-N 354.337 3.519 0 40 FHAB C[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1nnc(C(F)(F)F)s1 9667798 RJNSODJVHNGGLB-LURJTMIESA-N 373.385 3.553 0 40 FHAB Cc1ccc(OCCNC(=O)c2cccnc2SC(F)F)c(C)c1 9888589 GSUZSUPJUWFEPT-UHFFFAOYSA-N 352.406 3.822 0 40 FHAB CC(C)Cc1ccc(C(=O)C2CCN(C(=O)NC3CCOCC3)CC2)cc1 89856500 TYTNZPXLYLLJOG-UHFFFAOYSA-N 372.509 3.668 0 40 FHAB COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)c1cnc(-c2ccsc2)s1 89919294 MUYMIXYYFFQZMX-SJKOYZFVSA-N 364.492 3.723 0 40 FHAB Cc1nc(NCC2CCC3(CC2)OCCO3)c2c3c(sc2n1)CCC3 72310968 RVDGAKCVCJUDJG-UHFFFAOYSA-N 359.495 3.834 0 40 FHAB O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(O)c(Cl)c1 95367631 IJRHSBXTEVHJLV-SFHVURJKSA-N 359.809 3.698 0 40 FHAB C[C@H](SCc1ccn(C)n1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 95939254 UOFFORATDZXKCE-JTQLQIEISA-N 372.475 3.973 0 40 FHAB COCC[C@@H](Cc1cccc(F)c1)NCc1ccccc1Cn1cccn1 95967195 VFKLVTWJBZYCCR-QFIPXVFZSA-N 367.468 3.808 0 40 FHAB O=C(Nc1ccc(-n2cccn2)c(Cl)c1)N[C@H]1CCC[C@@H]1n1ccnc1 79019651 CUIOBYDOEYRVNI-RDJZCZTQSA-N 370.844 3.638 0 40 FHAB COc1ccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)cc1Cl 20491656 PNXUINWCDZOQRT-INIZCTEOSA-N 351.855 3.705 0 40 FHAB CC(C)Oc1ccc(CNS(=O)(=O)Cc2cccc(Cl)c2)cc1 20460714 SXVQPKSOGCDYRY-UHFFFAOYSA-N 353.871 3.747 0 40 FHAB c1csc(-c2cnc3n2C[C@]2(CCN(Cc4ccsc4)C2)OC3)c1 306124570 BTSNDIUTSMGAMG-GOSISDBHSA-N 357.504 3.848 0 40 FHAB O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2CN(C3CCC3)C[C@@H]21 306143944 YRKUXILSNJBNQT-ICSRJNTNSA-N 357.450 3.600 0 40 FHAB Cc1ccc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)n[nH]2)c(C)c1 511178902 RWLSUBUQDSMOAL-UHFFFAOYSA-N 354.841 3.714 0 40 FHAB COc1cccc(O[C@@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)c1 219305221 YGBFXARKITWDGE-KRWDZBQOSA-N 371.477 3.999 0 40 FHAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)c1 408561989 MLNOZCGVZNPKEC-UHFFFAOYSA-N 373.478 3.732 0 40 FHAB CCc1ccccc1N[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 36635835 QALAIRSCUQNKBM-INIZCTEOSA-N 373.250 3.756 0 40 FHAB CCOc1ccccc1CCCNC(=O)[C@H](C)Oc1cccc(OC)c1 38772470 ALTZNASRMFBTRC-INIZCTEOSA-N 357.450 3.610 0 40 FHAB CCc1ccc(N2C[C@H](c3noc(-c4ccccc4OC)n3)CC2=O)cc1 44415783 UIRUTBNPDPOUHN-OAHLLOKOSA-N 363.417 3.828 0 40 FHAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(O)c(OC)c3)N21 222655705 OSKPFECEDJMMDV-MORSLUCNSA-N 355.463 3.775 0 40 FHAB COC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 223164144 IDLKZHNQHUIQFJ-AWEZNQCLSA-N 353.418 3.758 0 40 FHAB CCCC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCC1 223828147 MFQOMMLCOOJYMG-AWEZNQCLSA-N 350.890 3.916 0 40 FHAB O=C(CSCc1ccccc1F)NCc1ccc(CN2CCCC2)cc1 224514974 NCFBZBJIHZBWSC-UHFFFAOYSA-N 372.509 3.971 0 40 FHAB COc1ccc(CN2CCC3(CCCN3Cc3cccnc3)CC2)cc1 96049317 SAEWQEMMJPQWQZ-UHFFFAOYSA-N 351.494 3.721 0 40 FHAB CC[C@@H](C)n1nc(C(=O)Nc2nc(CN3CCCCC3)cs2)cc1C 331463469 QJBDSMSOHBRQIT-CYBMUJFWSA-N 361.515 3.857 0 40 FHAB COc1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)CC(=O)N3)cc1OC 96182968 WLKIRYWQEKICTE-UHFFFAOYSA-N 354.406 3.576 0 40 FHAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1nc(-c2ccccc2)no1 95482364 RSWXHWQRRVOWRH-HNNXBMFYSA-N 371.824 3.864 0 40 FHAB C[C@H]1CCCCN1Cc1ccc(CNC(=O)NC2C[C@@H](C)O[C@H](C)C2)cc1 535045674 IBERYEJRZCXYBW-RCCFBDPRSA-N 373.541 3.816 0 40 FHAB CCOCC[C@@H]1CCOC12CCN(C(=O)c1sccc1OCC)CC2 253386278 WEOKIYCCAJUNEG-OAHLLOKOSA-N 367.511 3.585 0 40 FHAB O=C(NC[C@H](c1ccoc1)N1CCSCC1)c1cccc2ccccc12 253400414 LFSRCJHEKXCOKJ-HXUWFJFHSA-N 366.486 3.953 0 40 FHAB O=C(c1cnccn1)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257298516 RMAURQHSSYCSNW-QGZVFWFLSA-N 368.824 3.686 0 40 FHAB O=C(NC[C@H]1CCN(c2ccccc2F)C1)Nc1ccc2c(c1)COC2 365812688 JNKIFCRPLSGKRS-CQSZACIVSA-N 355.413 3.504 0 40 FHAB COc1cccc([C@H](C(=O)O)N2CCC(Oc3cccc(F)c3)CC2)c1 634692907 MKAFNFHRIBIGHV-LJQANCHMSA-N 359.397 3.503 0 40 FHAB O=C(Nc1cnc2c(c1)CCCC2)N[C@H](C[C@H]1CCCO1)C(F)(F)F 654033143 HXOHUSSTFJZKEQ-UKRRQHHQSA-N 357.376 3.582 0 40 FHAB COc1ccc(CCC(=O)NC[C@@](C)(OC)c2cccc(Cl)c2)cc1 96392506 QNVUXSLSNPAZOB-HXUWFJFHSA-N 361.869 3.959 0 40 FHAB Fc1ccc(Oc2ccc(Cl)cc2)c(OCCN2CCOCC2)c1 585266209 LVFQMNAUIDZCAR-UHFFFAOYSA-N 351.805 3.982 0 40 FHAB C[C@H]1CCCN(CCCCNC(=O)Nc2nc(C(F)(F)F)cs2)C1 45979159 QWTSRADLSWNJPA-NSHDSACASA-N 364.437 3.796 0 40 FHAB Cn1ccc2c(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)cccc21 58250453 GYLBINPNEVCLNM-KRWDZBQOSA-N 350.418 3.988 0 40 FHAB CCOC(=O)C[C@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 784409274 OMRMQCYVFWCOGP-ZDUSSCGKSA-N 372.259 3.968 0 40 FHAB CCCC[C@H](CNC(=O)OC(C)(C)C)O[C@@H](Cc1ccccc1)C(=O)O 1570003530 YAUNBQXPKXUMQZ-SJORKVTESA-N 365.470 3.782 0 40 FHAB COc1cc(Br)c(Br)c(Br)c1O 5512027 YANUJFRWROAWGB-UHFFFAOYSA-N 360.827 3.688 0 40 FHAB CC1CCN(S(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)CC1 5855363 QOJMHKBZVZQGNR-UHFFFAOYSA-N 364.511 3.626 0 40 FHAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)[nH]2)cc1 5868680 RYXINQNKVNYPQQ-UHFFFAOYSA-N 368.462 3.910 0 40 FHAB Cc1ccccc1-c1cc(CC2(C(=O)O)CCN(C(=O)C(C)C)CC2)on1 12366487 YLMLQOKXQGZJGH-UHFFFAOYSA-N 370.449 3.542 0 40 FHAB COc1ccccc1Oc1coc2c3c(ccc2c1=O)OCN(C1CC1)C3 12442479 SFGJGNZEAVUOQI-UHFFFAOYSA-N 365.385 3.908 0 40 FHAB biogenic COc1ccc(Cl)cc1C(=O)NCC1(c2ccccc2)CCOCC1 16968855 RKDPFZXXABBXLA-UHFFFAOYSA-N 359.853 3.827 0 40 FHAB Cc1ccc(-c2cc([C@H]3CCN(Cc4cccnc4)C3)nc(N(C)C)n2)cc1 19212206 SQUBRZPOFWGPCQ-FQEVSTJZSA-N 373.504 3.903 0 40 FHAB COc1c(C)cccc1CN1CCCC[C@H]1c1ncc2c(n1)CCN(C)C2 19235986 PLHKEGCMEHVSMV-FQEVSTJZSA-N 366.509 3.509 0 40 FHAB OCC[C@H]1CN2CCC[C@@H]2CN1Cc1cccc(Oc2ccccc2)c1 19373575 WLUGVQIVOLACTM-UXHICEINSA-N 352.478 3.510 0 40 FHAB C[C@H](NC(=O)c1ccccc1CN1CCCC1)c1ccc2c(c1)OCCO2 19717723 RHTBSWDMYQTJSV-INIZCTEOSA-N 366.461 3.545 0 40 FHAB Cc1ccc(-c2noc(CC3CCN(C(=O)c4ccco4)CC3)n2)cc1 1888951544 ZLGJWJUFRWCCSX-UHFFFAOYSA-N 351.406 3.733 0 40 FHAB O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(Br)cc1F 22391018 WHODZGPLZLREIN-UHFFFAOYSA-N 364.218 3.836 0 40 FHAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(OC2CCOCC2)nc1 244909813 AWRRSWVHXQVBIF-CQSZACIVSA-N 370.424 3.760 0 40 FHAB COc1ccc(CC(=O)N2CC3(CC(c4ccccc4)C3)C2)cc1OC 1775970091 AVMHAYPWXGAXTE-UHFFFAOYSA-N 351.446 3.653 0 40 FHAB C[C@@H](Cc1csc2ccccc12)NC(=O)[C@H]1COc2ccccc2O1 585150712 BCLJESLESCIKEG-SCLBCKFNSA-N 353.443 3.789 0 40 FHAB C[C@H]1CCc2c(sc(NC(=O)Cc3ccc(Cl)s3)c2C(N)=O)C1 10060957 RCDCXADGBHOJID-QMMMGPOBSA-N 368.911 3.868 0 40 FHAB O=C(NCCN1CCc2ccccc21)C(c1ccccc1)c1ccccc1 30955029 BDHCVALVEJXURA-UHFFFAOYSA-N 356.469 3.997 0 40 FHAB C[C@@H](C(=O)Nc1ccccc1)S(=O)(=O)Cc1ccc(C(C)(C)C)cc1 40060019 ZFIVTLXXXBAQQP-HNNXBMFYSA-N 359.491 3.926 0 40 FHAB COc1cc2ccccc2cc1C(=O)Nc1cccc(S(C)(=O)=O)c1 7943373 GOOBCZOGNFLKBL-UHFFFAOYSA-N 355.415 3.504 0 40 FHAB CC(C)c1nnc(SCC(=O)NC2CCCCC2)n1Cc1ccco1 10930044 NZOOTMANXXMQHT-UHFFFAOYSA-N 362.499 3.584 0 40 FHAB Cc1cc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)nc(C(C)C)n1 11010108 CQYXKQCZAMCZQR-UHFFFAOYSA-N 364.449 3.617 0 40 FHAB COc1cc2c(cc1OC)[C@H]1CCc3cc(OC)c(OC)cc3[C@@H]1N=C2 1659847 CUKMWZUBYZDJNQ-SPLOXXLWSA-N 353.418 3.925 0 40 FHAB CCN(CC)CC[C@](O)(Cc1ccccc1)[C@@H](C(=O)O)c1ccccc1 1681792 ALJWAWZTLYHUER-IRLDBZIGSA-N 355.478 3.561 0 40 FHAB COc1cc2nncc(Sc3cnc4ccccc4n3)c2cc1OC 1704384 HJUPYKOTUNXUGS-UHFFFAOYSA-N 350.403 3.741 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1 3406674 HFKQEIQQVVSDCR-UHFFFAOYSA-N 365.454 3.957 0 40 FHAB Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1SC=C2Sc3nncn3N21 32072877 JQGWUYPWIOHSHO-CQSZACIVSA-N 374.882 3.714 0 40 FHAB CC[C@@H]1CCCCN1c1ncnc2c1nnn2Cc1ccccc1Cl 4966632 LOONZKBQWDGXFU-CQSZACIVSA-N 356.861 3.692 0 40 FHAB O=C(OCc1nc(-c2ccsc2)no1)c1cc(-c2ccccc2)[nH]n1 7029052 QFKBWYQCZRLTFC-UHFFFAOYSA-N 352.375 3.545 0 40 FHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1cc(Cl)ccc1F 45756354 QDQUJMPQCTVUOW-NSHDSACASA-N 361.804 3.655 0 40 FHAB Cc1ccc(OCC(=O)N2CCCC[C@@H]2CCN2CCCCC2)cc1C 21170541 KGKHXIUGGJNXHP-HXUWFJFHSA-N 358.526 3.939 0 40 FHAB COC(=O)CCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 41107611 JDYFYPSTQDGMQT-UHFFFAOYSA-N 358.360 3.587 0 40 FHAB O=C(C[C@@H]1Nc2ccccc2OC1=O)Nc1ccc(Cl)cc1Cl 10325570 YNSLIXSUKDWUJD-ZDUSSCGKSA-N 351.189 3.722 0 40 FHAB COc1ccc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2ccc(OC)cc2)cc1 100766737 NQBTVEXWNSQKSA-PMACEKPBSA-N 367.489 3.824 0 40 FHAB Cc1ccccc1NC(=S)NNC(=S)Nc1cccc(Cl)c1 2629383 SYVQVLCONIPMDB-UHFFFAOYSA-N 350.900 3.836 0 40 FHAB CC(=O)Nc1cccc(NC(=O)C2CCN(Cc3ccccc3C)CC2)c1 9062974 RYJGRIVTKAVZAF-UHFFFAOYSA-N 365.477 3.804 0 40 FHAB COc1ccc([C@@H]2CCCN2CCC(=O)Nc2ccccc2OC)cc1 54426304 HTIZBCGRIYCNBG-IBGZPJMESA-N 354.450 3.870 0 40 FHAB CC[C@@H]1CCc2nc(NC(=O)c3nc(-c4cnn(C)c4)oc3C)sc2C1 176964768 TYALHTIAGNQPSC-LLVKDONJSA-N 371.466 3.607 0 40 FHAB Brc1cc(CN[C@@H]2CCOc3ccccc32)cc2c1OCO2 25357339 USWAWYMIORTSMA-CQSZACIVSA-N 362.223 3.791 0 40 FHAB COc1ccc(CN(C)Cn2ncn(C(C)C)c2=S)cc1OC(F)F 25482840 ZSFOFTFSNJFQRT-UHFFFAOYSA-N 372.441 3.694 0 40 FHAB O=C(COCc1ccccc1Cl)Nc1ccnn1Cc1ccccc1 44330118 ITMUVBBPIFEDBR-UHFFFAOYSA-N 355.825 3.740 0 40 FHAB Cc1ccc(NC(=O)Cn2c(-c3ccccc3)nc(C)cc2=O)c(Cl)c1 57526413 DXHPIVGQLDKYCH-UHFFFAOYSA-N 367.836 3.819 0 40 FHAB CCc1ccc(CNC(=O)Nc2cc(C(=O)NC3CC3)ccc2C)s1 47984753 XIQBGBBGKUBKBV-UHFFFAOYSA-N 357.479 3.833 0 40 FHAB O=S(=O)(c1ccc(Cl)cc1)N(CCc1ccc(F)cc1)C(F)F 3246624 GYTSMJYRACMUSZ-UHFFFAOYSA-N 363.788 3.935 0 40 FHAB CCCS(=O)(=O)Nc1cccc(NC(=O)c2sccc2C)c1C 58246252 ZEMYKHSREGPTHU-UHFFFAOYSA-N 352.481 3.769 0 40 FHAB CC(C)N(Cc1cccnc1)C(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 58357230 HOVSYUKAMOGDCP-HNAYVOBHSA-N 351.450 3.727 0 40 FHAB O=S(=O)(N[C@H]1CCSc2c(F)cccc21)c1cccc(Cl)c1 12735185 HWFSGZAPFUAGRR-AWEZNQCLSA-N 357.859 3.995 0 40 FHAB C[C@H](OC(=O)c1ccc(Cl)cc1O)C(=O)NCCC1=CCCCC1 3408174 XMJXXJMKWLHVRX-LBPRGKRZSA-N 351.830 3.598 0 40 FHAB O=C(Cn1c(=O)oc2ccccc21)N[C@H]1CCSc2ccc(Cl)cc21 12984675 MVUOMWZVEMWCQC-ZDUSSCGKSA-N 374.849 3.601 0 40 FHAB CCc1nc(C)c2c(C)c(C(=O)Nc3ccc4c(c3)OCCO4)sc2n1 12902516 KIESWEASXMEILN-UHFFFAOYSA-N 369.446 3.894 0 40 FHAB C[C@H](NCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1cccc(Cl)c1 13040170 OBGZKMQJYRIPKZ-JTQLQIEISA-N 359.882 3.978 0 40 FHAB O=C(NCc1nnc2ccccn12)[C@H](Sc1ccccc1)c1ccccc1 13012300 IJBPHULOFQMQRQ-HXUWFJFHSA-N 374.469 3.879 0 40 FHAB Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CNC[C@@H](C)O 8328259 VZHOVFPWFVJADZ-CQSZACIVSA-N 355.413 3.583 0 40 FHAB O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1cc(Br)c[nH]1 23017188 ASHNNJKGCLUEGH-UHFFFAOYSA-N 374.194 3.875 0 40 FHAB O=C1c2cccc3cccc(c23)C(=O)N1CCCCCc1nnc(S)o1 4263656 LRBIBIPTPWBFOJ-UHFFFAOYSA-N 367.430 3.521 0 40 FHAB Cc1cccc2cc(COC(=O)c3ccccc3Br)c(=O)[nH]c12 13770771 OJQYOFYNRZYSAD-UHFFFAOYSA-N 372.218 3.956 0 40 FHAB CC(C)CNC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 5346472 JXUFNNMEHZXORY-UHFFFAOYSA-N 351.402 3.611 0 40 FHAB O=C(CCn1c(=O)oc2ccc(Cl)cc21)N1CCCc2ccccc21 6759478 LOVUNNWXNSWPSS-UHFFFAOYSA-N 356.809 3.617 0 40 FHAB COc1ccc(NC(=O)[C@@H](C)N(C)Cc2nc3ccccc3s2)cc1 15025716 AWMSAEDNESYRTK-CYBMUJFWSA-N 355.463 3.764 0 40 FHAB Cc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 7061364 LARHYRWESRNLHB-UHFFFAOYSA-N 372.490 3.730 0 40 FHAB Cc1c(O)ccc2c(COC(=O)CCC(=O)c3ccccc3)cc(=O)oc12 7395878 LEQAEUGVBVGMLK-UHFFFAOYSA-N 366.369 3.513 0 40 FHAB CCOc1c(Br)cc(C(=O)NCc2cccs2)cc1OC 7698943 LLLMFORQLBEUFH-UHFFFAOYSA-N 370.268 3.848 0 40 FHAB O=C(C(=O)N1CCCC1)c1cn(Cc2ccc(F)cc2)c2ccccc12 408568078 HOQQJDQNGYWXNA-UHFFFAOYSA-N 350.393 3.634 0 40 FHAB O=C(c1cccc(NCCSc2ccccc2F)c1)N1CCC[C@H](O)C1 96006468 LPUJMBTTXNFAJN-KRWDZBQOSA-N 374.481 3.627 0 40 FHAB C[C@H](NCc1cnc([C@@H]2CCCO2)s1)c1ccc(N2CCCC2=O)cc1 89904800 ULYWQBGCLZCOHM-KSSFIOAISA-N 371.506 3.972 0 40 FHAB CC(C)C[C@H](CNC(=O)NCc1ccncc1)N[C@@H](C)c1ccccc1 72289617 XCKBBVGNAKUILG-FXAWDEMLSA-N 354.498 3.646 0 40 FHAB CC(C)(C)c1nnc(NC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)s1 72310094 AHCSODAKBVMGAV-AWEZNQCLSA-N 362.474 3.578 0 40 FHAB O=C(C=C1CCCCC1)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 84392954 KQMXVRMGBVBCDB-IBGZPJMESA-N 362.901 3.720 0 40 FHAB CCc1cc(C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)[nH]n1 97490871 AZAOICTVWVRPMM-UHFFFAOYSA-N 358.442 3.591 0 40 FHAB CC(C)=C[C@@H]1[C@H](C(=O)NCc2ccc(OCC(F)(F)F)nc2)C1(C)C 84671017 BXEZQUIAXZJBKE-UKRRQHHQSA-N 356.388 3.877 0 40 FHAB O=C(CCN1c2ccccc2Sc2ccccc21)Nn1ccccc1=O 1558958868 UMTHGJWHXBBWRR-UHFFFAOYSA-N 363.442 3.611 0 40 FHAB CCCCN1C(=O)COc2ccc(NC(=O)c3cccc(OCC)c3)cc21 32593500 GILNBFIMCYKWKE-UHFFFAOYSA-N 368.433 3.863 0 40 FHAB CC(=O)Nc1ccc(OC[C@@H](O)COc2cc(Cl)ccc2Cl)cc1 36391888 RLUXIQDZXFSLAX-CQSZACIVSA-N 370.232 3.771 0 40 FHAB CCc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2ccccc2Cl)cc1 32929758 AEBRIJTVRDTSAH-CYBMUJFWSA-N 365.882 3.844 0 40 FHAB Cc1ccccc1[C@@H]1CN(C(=O)NCC2(c3ccccn3)CCC2)CCO1 553977586 SBNYJOMXDHJCCF-IBGZPJMESA-N 365.477 3.595 0 40 FHAB CCC(=O)N1CCC[C@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)C1 72374893 LZXOFMJGVQXWNZ-INIZCTEOSA-N 353.470 3.656 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CSc1ccc(OC)cc1 38752245 MWAGWEYHNLAUSJ-CQSZACIVSA-N 372.490 3.954 0 40 FHAB O=C(CSc1nc2ccccc2n2cnnc12)Nc1ccccc1Cl 64948815 UYSITKJHQNQGQK-UHFFFAOYSA-N 369.837 3.662 0 40 FHAB CCc1c(C)nc(SCc2nc(-c3ccc(SC)cc3)no2)[nH]c1=O 44169460 HQFGOPATISIBPZ-UHFFFAOYSA-N 374.491 3.705 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(CN2CCCC2)cc1 44872914 ALZDKEWQDDSDHY-NRFANRHFSA-N 370.468 3.895 0 40 FHAB Cc1ccccc1OCCNS(=O)(=O)Cc1c(Cl)cccc1Cl 224213351 XBPJOIRRFSNSRF-UHFFFAOYSA-N 374.289 3.800 0 40 FHAB COc1ccc(-c2nnsc2C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 225887927 YJETZOGLWZSRNO-LBPRGKRZSA-N 369.446 3.713 0 40 FHAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1 222950552 VCQFLHLLBSYVGU-LJQANCHMSA-N 366.505 3.953 0 40 FHAB CCc1c(Br)c(N)c(Br)c(C)c1NC(C)=O 45890769 YHPTWRPAYPOQSS-UHFFFAOYSA-N 350.054 3.623 0 40 FHAB O=S(=O)(Cc1ccccc1Cl)NCc1cccc(C(F)(F)F)c1 223732970 ACQMPUIKQDFLJO-UHFFFAOYSA-N 363.788 3.978 0 40 FHAB CC(C)(C)OC(=O)NCCN1C(=O)S[C@@H](c2ccc(Cl)cc2)C1=O 91690452 CVNIPVRINWGSFE-LBPRGKRZSA-N 370.858 3.601 0 40 FHAB CC(C)[C@H]1OCCC[C@@H]1CNC(=O)Nc1cn(C)nc1-c1ccccc1 332849032 RUSLDQFDDAGPHX-VQIMIIECSA-N 356.470 3.660 0 40 FHAB C[C@@H]1[C@@H](NC[C@H](O)COCCOc2ccc(Cl)cc2)CCC[C@H]1C 245228303 OSISLWGQAJWPLM-YEWFCNIMSA-N 355.906 3.511 0 40 FHAB O=C(c1cnco1)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257300626 RVCSMNKKDLDXOU-OAHLLOKOSA-N 357.797 3.884 0 40 FHAB Cc1ccsc1CN1CC2(C1)OCC[C@H]2CCOCc1ccncc1 253598386 ALANDHWIDFNKDR-GOSISDBHSA-N 358.507 3.649 0 40 FHAB Cc1ccc(-c2cc(C(=O)N3CCC[C@]4(C)NCCCC[C@H]34)[nH]n2)cc1 257243682 IIBYXOHUDTXEGG-FPOVZHCZSA-N 352.482 3.522 0 40 FHAB Cc1nc(-c2ccccc2C(=O)O)cc([C@@H]2CCN(C(=O)C(C)(C)C)C2)n1 257278214 OBHVNPSGIKVVDF-CQSZACIVSA-N 367.449 3.512 0 40 FHAB Cn1cc(-c2cccs2)nc1CCNC(=O)Cc1ccccc1Cl 85471212 QSMAJOXANZULIM-UHFFFAOYSA-N 359.882 3.703 0 40 FHAB O=C(NCc1nccn1CC(F)(F)F)c1ccccc1Cc1ccccc1 590050222 DITFBBUOZNESHP-UHFFFAOYSA-N 373.378 3.966 0 40 FHAB O=C(NCCCN1CCCCCC1)c1ccnc(Oc2ccccc2)c1 623735727 QGMBGLIZERHSDD-UHFFFAOYSA-N 353.466 3.870 0 40 FHAB C[C@@H](Oc1ccc(NC(=O)C2(c3cccnc3)CCCC2)cc1F)C(=O)O 630260101 HCZYTEJWBHEIGE-CYBMUJFWSA-N 372.396 3.523 0 40 FHAB Cc1cc(NC(=O)C(C)(C)c2ccc3c(c2)OCCO3)nn1[C@H](C)C1CC1 680043839 SKVYMKXUSPXYNJ-CQSZACIVSA-N 369.465 3.850 0 40 FHAB O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)C1=NO[C@@H](c2ccccc2)C1 56121874 WTDBFEAKPYCGAV-XUVXKRRUSA-N 368.408 3.680 0 40 FHAB O=C(Nc1ccccc1)[C@@H](NC[C@H]1COc2ccccc2O1)c1ccccc1 57352279 SDPRPTRHGZCLGG-UGKGYDQZSA-N 374.440 3.796 0 40 FHAB CCNC(=O)c1ccc(C)c(NC(=O)N[C@H](C)CCc2ccc(O)cc2)c1 77665134 GSFAXBJRWIDHOO-OAHLLOKOSA-N 369.465 3.593 0 40 FHAB O=C(NCc1cccs1)c1ccc(CNC(=O)c2cccs2)cc1 95949570 NRBASEPADREBLZ-UHFFFAOYSA-N 356.472 3.670 0 40 FHAB CC(C)c1nccn1CCC(=O)N1CCC[C@@H]1COc1ccc(F)cc1 585080279 XUXCNBFCOGLCDT-QGZVFWFLSA-N 359.445 3.606 0 40 FHAB CC(C)(C)[C@H](O)C(=O)Nc1ccc2ccn(Cc3ccc(CO)cc3)c2c1 1643887081 BVNHEGJVILJKCZ-HXUWFJFHSA-N 366.461 3.527 0 40 FHAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(C)c2ccccc2)cc1 5250274 RRAZSIOMLMZFKM-LJQANCHMSA-N 365.433 3.646 0 40 FHAB CCn1c(C)cc2cc(NC(=O)COc3ncnc4ccccc34)ccc21 12148365 NHSQKZMAMGGUGN-UHFFFAOYSA-N 360.417 3.930 0 40 FHAB CCOc1ccccc1C(=O)N[C@@H](C)c1nc(-c2ccccc2C)no1 13495329 MYYXLFFTXKZIFS-AWEZNQCLSA-N 351.406 3.935 0 40 FHAB CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3c(C)cccc3C)ccc21 13583997 GHDDOTJXODJUJB-UHFFFAOYSA-N 372.490 3.658 0 40 FHAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)c1C 13648814 NOXVAMUQWQIEFO-CQSZACIVSA-N 357.406 3.586 0 40 FHAB COc1ccccc1/C=C/C(=O)Nc1ccccc1C(=O)N1CCCC1 13995789 XHHJDTYVWXFAHI-OUKQBFOZSA-N 350.418 3.583 0 40 FHAB O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1cccc2cccnc12 14168150 HIUBZUXJNJETMK-UHFFFAOYSA-N 373.334 3.622 0 40 FHAB O=C(C[C@@H]1Nc2ccccc2OC1=O)Nc1cc(Cl)cc(Cl)c1 14608259 GLEVIDUVAPIWGL-ZDUSSCGKSA-N 351.189 3.722 0 40 FHAB Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1C 16311925 RDYRQDFBNGWHOO-UHFFFAOYSA-N 353.418 3.938 0 40 FHAB Cc1ccc([C@H]2CCCN2C(=O)c2cc(-c3cnn(C)c3C)on2)cc1C 19213848 QGWOPDACFZYRMP-LJQANCHMSA-N 364.449 3.978 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CCN1[C@H](c2ccc(C)o2)N2CCC31CC2 19216380 ZXTIWOVLWCSLRF-OAQYLSRUSA-N 363.461 3.940 0 40 FHAB Cc1nc(N(C)C)ncc1C(=O)N[C@H](C)c1cc2cc(Cl)ccc2o1 19552739 ZQQOBLHILHSNDC-LLVKDONJSA-N 358.829 3.742 0 40 FHAB Cc1ccc(-c2ncc(CN3CC[C@](O)(c4ccc(C)cc4)C3)cn2)cc1 19715868 HJQMBKGHCWUHRH-HSZRJFAPSA-N 359.473 3.854 0 40 FHAB Cc1ccc(OCCCNCc2cc(-c3ccccc3)cn3nnnc23)cc1 12224256 GVBJPSIDRNMYQC-UHFFFAOYSA-N 373.460 3.658 0 40 FHAB Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)c(Br)c1 13006465 BQKABVZIASKMSN-UHFFFAOYSA-N 357.207 3.851 0 40 FHAB O=C(N1CC(Oc2cccnc2)C1)C1(c2ccc(Cl)cc2)CCCC1 238875752 NZQFLIZTZMHAHO-UHFFFAOYSA-N 356.853 3.837 0 40 FHAB COc1ccc(OC)c2sc(NC(=O)c3ccc(C(C)=O)cc3)nc12 2713920 XTTZBSFYEVDNRI-UHFFFAOYSA-N 356.403 3.768 0 40 FHAB COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cccc(F)c1 4033144 KDYVCSAPRYHXDL-UHFFFAOYSA-N 362.364 3.796 0 40 FHAB O=C(/C=C/c1cccs1)N1CCN(c2nc3c(F)cccc3s2)CC1 5182004 LVOKNSVQKZGUEI-VOTSOKGWSA-N 373.478 3.859 0 40 FHAB Cc1ccc(-c2ccc(N3CCN(Cc4csc(C)n4)CC3)nn2)cc1 1775976376 ZPOFCGMQYWRENZ-UHFFFAOYSA-N 365.506 3.539 0 40 FHAB O=C(C(c1ccccc1)c1ccccc1)N1CCC2(CC1)OCCCO2 49705876 VHASTUFJJUAIPH-UHFFFAOYSA-N 351.446 3.574 0 40 FHAB Cc1cc(C)n([C@H](CNC(=O)CSCc2ccccc2)c2ccco2)n1 575614446 TUVOVFODEASIAO-GOSISDBHSA-N 369.490 3.732 0 40 FHAB Clc1ccc2nc(N3C[C@@H]4CN(c5ccccn5)C[C@H]4C3)sc2c1 2298100660 RPRHOMPZQAUBKN-STQMWFEESA-N 356.882 3.917 0 40 FHAB FC(F)(F)c1cccc(CN2CCC[C@@H](COc3cnccn3)C2)c1 2298206638 GULHARSBSVBMEL-OAHLLOKOSA-N 351.372 3.786 0 40 FHAB Cc1cc2nc([C@@H]3CCCN(CC[C@@H](C)c4ccc(C)o4)C3)cc(N)n2n1 19216284 YBOGQKCZIQEJOG-RHSMWYFYSA-N 367.497 3.895 0 40 FHAB CC(C)(C)N1CCC(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 40156742 MWUKVNWFCWGQDX-UHFFFAOYSA-N 365.326 3.535 0 40 FHAB CNC(=O)c1ccc(CN(C)C(=O)CCc2ccc(C(C)(C)C)cc2)cc1 7848202 PTMRWGIQRIENGU-UHFFFAOYSA-N 366.505 3.935 0 40 FHAB COc1ccccc1Oc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1 28781628 NEIPZCMRUMNXCH-UHFFFAOYSA-N 374.418 3.893 0 40 FHAB O=C(c1ccccc1Nc1ccc(SC(F)F)cc1)N1CCNCC1 942374 GVGMTNTXHPNULH-UHFFFAOYSA-N 363.433 3.790 0 40 FHAB COc1cccc(OC)c1C(=O)OCC(=O)Nc1ccccc1C(C)C 1934223 AOTQRPGMLIWGAC-UHFFFAOYSA-N 357.406 3.623 0 40 FHAB CCn1nc(C)c2c(C(=O)OC)cc(-c3ccc(OC(F)F)cc3)nc21 2732436 NARALEDFVNTYNR-UHFFFAOYSA-N 361.348 3.815 0 40 FHAB Cc1cc(NC(=O)COc2ncnc3ccccc23)ccc1Br 3601894 MXBYBQGFOFAYEZ-UHFFFAOYSA-N 372.222 3.718 0 40 FHAB CCCCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccncc1 4161375 QLDUHFGLRCUFPJ-UHFFFAOYSA-N 373.526 3.681 0 40 FHAB COc1ccccc1[C@@H]1SCCN1S(=O)(=O)c1ccc(C)c(C)c1 6033439 IEHZIMDMCOKHLY-SFHVURJKSA-N 363.504 3.748 0 40 FHAB Cc1cc(C)n2c(SCC(=O)Nc3ccc(C(C)C)cc3)nnc2n1 6903946 SJAVNNPJEMDTRG-UHFFFAOYSA-N 355.467 3.595 0 40 FHAB Cc1cccc(OCC(=O)NCc2ccc(CN3CCCCC3)cc2)c1 7447863 QSPPZQKLJXQRMX-UHFFFAOYSA-N 352.478 3.676 0 40 FHAB CC[C@H](Oc1ccc(C)cc1)C(=O)N1CCN(c2ccccc2OC)CC1 7495726 RAVAZNUUKBQGBI-FQEVSTJZSA-N 368.477 3.510 0 40 FHAB COC(=O)c1cc2ccccc2cc1OC(=O)COc1ccccc1F 7793569 RTAZFMRQAHQGSC-UHFFFAOYSA-N 354.333 3.750 0 40 FHAB CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2cnccn2)c1 29059483 QSRZCGZJHUQEQH-MRXNPFEDSA-N 374.444 3.839 0 40 FHAB COc1ccc(CN2C[C@@H]3CCC[C@@H](C2)C3N2CCCCC2)cc1OC 100214005 ANNMBUIGIWVHSL-OALUTQOASA-N 358.526 3.790 0 40 FHAB Cc1ccc(C(=O)c2cccc(CN3CCC4(CC3)OCCO4)c2)c(C)c1 2515235 BGXWPIBKUVWBIR-UHFFFAOYSA-N 365.473 3.873 0 40 FHAB Cc1nc(NC(=O)c2ccccc2O)sc1Cc1ccc2c(c1)OCO2 45872680 CTIQSKDHXYHEQK-UHFFFAOYSA-N 368.414 3.729 0 40 FHAB C[C@@H]1CCCC[C@H]1N/C=C1/C(=O)N(c2ccccn2)C(=O)c2ccccc21 20815794 IUTCKRSRINVQCS-SWTJBZIGSA-N 361.445 3.778 0 40 FHAB CCc1ccc(-n2c(S[C@@H](C)C(=O)OC)nc3ccccc3c2=O)cc1 8133740 FRMRZAXHOAPXFU-ZDUSSCGKSA-N 368.458 3.602 0 40 FHAB COc1cc(CN[C@H](C)c2ccccc2)ccc1OCC(=O)NC(C)(C)C 8535317 GPKJDEBNZXWVEQ-MRXNPFEDSA-N 370.493 3.840 0 40 FHAB CCCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C 10369605 BSAGABLQBJDUBH-UHFFFAOYSA-N 360.479 3.634 0 40 FHAB COc1cc(/C=C/C(=O)N2CCc3sccc3C2)ccc1OC(F)F 10922273 RSSJDIGTBDHMQX-HWKANZROSA-N 365.401 3.956 0 40 FHAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CCn1c(=O)oc2ccccc21 32753941 QACXWVZJMQXUTE-AWEZNQCLSA-N 364.401 3.950 0 40 FHAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CCNC(=O)c1ccsc1 32739399 WCGZJNKDLNEJOZ-LBPRGKRZSA-N 373.503 3.697 0 40 FHAB Cc1c(Cl)cnc(NC(=O)COC(=O)Cc2ccccc2F)c1Cl 2653265 SXFUQKNGATZJJE-UHFFFAOYSA-N 371.195 3.560 0 40 FHAB COc1ccccc1CNC(=O)NCCc1ccc(C(F)(F)F)cc1 32862428 BCPWBZMWIDDWRX-UHFFFAOYSA-N 352.356 3.756 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc([S@](C)=O)cc1 21646063 QQYYKTMYKQNFIH-WHDAMIPWSA-N 369.442 3.642 0 40 FHAB COc1cccc([C@@H](CNC(=O)c2oc3ccc(F)cc3c2C)N(C)C)c1 52839162 YOPFTNDXYJRWJX-GOSISDBHSA-N 370.424 3.922 0 40 FHAB COc1ccccc1OCCN(C)c1nc2cc(C)nn2c2ccccc12 58402527 SPVXMIMQNQCOFP-UHFFFAOYSA-N 362.433 3.715 0 40 FHAB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](F)[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118930382 BSKXCSHQVSHDCE-HUPPADNKSA-N 352.490 3.658 0 40 FHAB O=C(C[C@@H]1OCCc2ccccc21)Nc1cccc(Cl)c1-n1cncn1 115023800 WESMCJJKLLICSN-KRWDZBQOSA-N 368.824 3.563 0 40 FHAB O=C1NN=C2CCCCCCC[C@@H]3C(=O)NN=C3CCCCCCC[C@H]12 103553506 KRDAPKLDJJSAJY-HOTGVXAUSA-N 360.502 3.665 0 40 FHAB CC(=O)N1CCc2cc(Nc3ncnc4sc5c(c34)CCC5)ccc21 22803275 SOBNQSRFQDBZRV-UHFFFAOYSA-N 350.447 3.833 0 40 FHAB Cc1ccc(-n2nnc(C(=O)NCCc3ccc(Cl)cc3)c2C)cc1F 51317740 UKLUYMKWLCTLOD-UHFFFAOYSA-N 372.831 3.649 0 40 FHAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1ccccc1O 23175226 PAJHKDLNBQORSX-UHFFFAOYSA-N 373.412 3.960 0 40 FHAB CCOC(=O)c1cnc2c(C(=O)OC)cccc2c1Nc1ccc(O)cc1 955135 DMQIHWYJRKKAIM-UHFFFAOYSA-N 366.373 3.647 0 40 FHAB Cc1ccc(COc2ccccc2/C=C/C(=O)NCCCC(=O)O)cc1 62715348 DXHHIVFCHUMAIE-OUKQBFOZSA-N 353.418 3.568 0 40 FHAB CCN1CCC[C@@H]1CNCc1cn(-c2ccccc2)nc1-c1cccnc1 23479849 AAYGRTBBEGXHTF-OAQYLSRUSA-N 361.493 3.508 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@@H](NC(=O)c1ccccn1)c1ccccc1 3029316 PTIMGOIDHBMPAS-FQEVSTJZSA-N 359.429 3.808 0 40 FHAB COc1ccc(CN(Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C2CC2)cc1 23731992 QQWLWLRSZARJKO-UHFFFAOYSA-N 369.852 3.750 0 40 FHAB Cc1ccc(F)cc1NC(=O)CN1CCN(c2cccc(C)c2C)CC1 57332282 WUWUXUYTALJZCH-UHFFFAOYSA-N 355.457 3.512 0 40 FHAB CCc1ccc(N2C[C@@H](C(=O)NCc3ccc(Cl)cc3)CC2=O)cc1 59507084 MCADBUPMUJSOGU-INIZCTEOSA-N 356.853 3.572 0 40 FHAB O=C(Cc1ccc(C(F)(F)F)cc1)NCc1cccc(Cn2ccnc2)c1 24750336 APYXRAIDKRYYNG-UHFFFAOYSA-N 373.378 3.809 0 40 FHAB Cc1ccccc1NC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 113962193 JWQQVLWVZGEXJM-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB COc1cc(/C=C/C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc(OC)c1OC 107450083 MMMFYPLHQSTVKB-VPRXTXBGSA-N 359.466 3.667 0 40 FHAB C[C@@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccccc1Cl 57456356 WAMSXFMAAJBNQR-CYBMUJFWSA-N 371.868 3.522 0 40 FHAB O=S(=O)(Cc1cc(Cl)c2c(c1)OCO2)c1ccc2ccccc2n1 47939654 RLRUXIVPJLNHAB-UHFFFAOYSA-N 361.806 3.591 0 40 FHAB COC(=O)c1ccc(OCC(=O)c2ccc3c(c2)CCCC3)c(OC)c1 27314929 RUOBVLAZBRHLOY-UHFFFAOYSA-N 354.402 3.622 0 40 FHAB COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCC2CC2)cc1 27465959 IPGCNFPXJMUVLR-UHFFFAOYSA-N 361.445 3.747 0 40 FHAB CCOc1cc(-c2ccccc2)sc1C(=O)NCCC(=O)N[C@@H](C)CC 58174594 XYUTUAAFAALXDM-AWEZNQCLSA-N 374.506 3.848 0 40 FHAB CSc1ncccc1C(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1 3275854 ZPKIGMLSKIRRNG-UHFFFAOYSA-N 371.245 3.906 0 40 FHAB COc1cc(C=O)ccc1OCC(=O)Nc1ccc(SC(F)F)cc1 3259294 KEBUJXLZWICTLV-UHFFFAOYSA-N 367.373 3.840 0 40 FHAB Cc1c(CCC(=O)O)c(=O)oc2cc(OCc3ccc(F)cc3)ccc12 2151912 WYKTYUCUZMHCNC-UHFFFAOYSA-N 356.349 3.837 0 40 FHAB biogenic Cc1ccc(OCc2nc(C(=O)NOCc3ccccc3)cs2)cc1 10319363 BPMKHSCXCUSFIP-UHFFFAOYSA-N 354.431 3.892 0 40 FHAB Cc1nc(CSCC(=O)NC2c3ccccc3Oc3ccccc32)no1 58343552 QPRJCQXYFGIYGN-UHFFFAOYSA-N 367.430 3.623 0 40 FHAB C[C@]1(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC1(Cl)Cl 58364856 NHCRLZBRFLACTL-GDBMZVCRSA-N 356.249 3.609 0 40 FHAB CN(C)c1cccc(CNC(=O)Nc2ccc(F)cc2Br)c1 58307415 KYSUNHNREGMFKE-UHFFFAOYSA-N 366.234 3.976 0 40 FHAB Cc1cc(-n2cc(C(=O)O)c3c2[C@H](c2ccc(Cl)cc2)CC(=O)N3)no1 61718264 YSZIZVXHBVVPDM-LBPRGKRZSA-N 371.780 3.599 0 40 FHAB C[C@@H]1CCc2sc3ncn4nc(-c5ccccc5C(=O)O)nc4c3c2C1 2235553 RVEZSBPUPFHKMS-SNVBAGLBSA-N 364.430 3.829 0 40 FHAB Cc1ccc(Nc2nnc(SCCN3CCOCC3)s2)cc1Cl 12814745 QZZJDSPDZPRPQO-UHFFFAOYSA-N 370.931 3.668 0 40 FHAB CC(=O)N[C@@H](CC(=O)NCCCSc1ccccc1)c1ccccc1 12822883 PWRKKNVVPUPURG-IBGZPJMESA-N 356.491 3.553 0 40 FHAB O=C(N[C@H](c1ccccc1)C1CC1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 13005575 MHELLAPBEZQPEL-VQTJNVASSA-N 364.445 3.685 0 40 FHAB CCCCOC(=O)c1ccc(NC(=O)CSc2ccccc2N)cc1 408600057 SHMPWZUVKRWWAU-UHFFFAOYSA-N 358.463 3.957 0 40 FHAB CCN(CC)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2)O1 4207758 ULCNZHKNJSTRGG-UHFFFAOYSA-N 367.293 3.982 0 40 FHAB C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)OCCO2 39516452 FLLMPDOZCJOMTO-NSHDSACASA-N 351.324 3.968 0 40 FHAB Cc1ccc(CNc2nc(NCc3ccccc3)c3cnn(C)c3n2)cc1 4374944 MXKOLTWKUJHRBL-UHFFFAOYSA-N 358.449 3.896 0 40 FHAB O=C(CSc1nc(-c2cccs2)n[nH]1)c1ccc2c(c1)OCCCO2 8528076 JKVRJQIBXSIOBX-UHFFFAOYSA-N 373.459 3.670 0 40 FHAB CCCn1c(O)c(C(=O)Nc2ccc(OCC)cc2)c(=O)c2ccccc21 5444292 FNNUCKAZYTUOHI-UHFFFAOYSA-N 366.417 3.768 0 40 FHAB CCNC(=O)N(Cc1nc(-c2ccc(OC)cc2)no1)C1CCCCC1 5450757 UDEYLXDVOPDUMU-UHFFFAOYSA-N 358.442 3.609 0 40 FHAB Cc1cnc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cn1 18120473 JUILQJDJGWSLMO-UHFFFAOYSA-N 350.344 3.656 0 40 FHAB COc1ccccc1C(=O)Nc1cccc(I)c1 6898445 LVBMGRDRRRGVRN-UHFFFAOYSA-N 353.159 3.552 0 40 FHAB CCn1c(SCc2cn3ccccc3n2)nnc1-c1ccc(OC)cc1 5851062 ZUAHQSINPUTZGR-UHFFFAOYSA-N 365.462 3.914 0 40 FHAB COC(=O)c1ccc(NCC(=O)Nc2ccccc2SC(F)F)cc1 15290082 SJJXGMXGZRWUPN-UHFFFAOYSA-N 366.389 3.839 0 40 FHAB Cc1ccc(-n2cc(C(=O)NCc3ccc(C(F)(F)F)cc3)nn2)cc1C 67261906 IFTROQGDIKQWRL-UHFFFAOYSA-N 374.366 3.833 0 40 FHAB C[C@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1cccc2ccccc12 7086163 WIZOCRSBNWSPLD-ZDUSSCGKSA-N 374.362 3.898 0 40 FHAB CC(C)CNC(=O)c1ccc(Oc2nccnc2N2CCCCC2)cc1 67323944 IAJVNIFGTLYKEH-UHFFFAOYSA-N 354.454 3.645 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)N1CCc2cc3cccc(C)c3nc21 15842069 ZQFLEYVTBJIOLR-UHFFFAOYSA-N 356.422 3.742 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 15992951 FBMVQZPNEIUYKC-WMLDXEAASA-N 361.463 3.562 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Oc2ccc3ccc(=O)oc3c2)c1C 7764235 QJPRCPKFQMABJZ-ZDUSSCGKSA-N 353.374 3.591 0 40 FHAB CCN1C(=O)COc2ccc(-c3csc(NC(=O)CC(C)C)n3)cc21 19796476 FHBVVQASDNODDX-UHFFFAOYSA-N 359.451 3.540 0 40 FHAB CCc1ccc(NC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)cc1 19911226 FZKCVOSHKFDPPO-UHFFFAOYSA-N 372.375 3.992 0 40 FHAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CNC[C@@H]1Cc2ccccc2O1 75572647 KPPPELVEAATHGW-KRWDZBQOSA-N 369.415 3.861 0 40 FHAB Cc1ccccc1NC(=O)[C@H](C)OC(=O)[C@H]1SCCc2sccc21 76091684 XQKNSNGSASSLAI-LRDDRELGSA-N 361.488 3.957 0 40 FHAB Cc1ccc(NC(=O)C[C@H](C)NC[C@@H](c2ccco2)N2CCCC2)cc1 22095753 NGJDQZWKXVCYAB-HKUYNNGSSA-N 355.482 3.732 0 40 FHAB CC(=O)N(CCC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1)Cc1ccccc1 72303334 QYGROTYDDOSIDC-VGOFRKELSA-N 350.462 3.645 0 40 FHAB Cc1ccc(OCC(=O)NC2CCN([C@H](C)c3ccccc3)CC2)cc1 95397787 HHEQNYQLYAAHSE-GOSISDBHSA-N 352.478 3.716 0 40 FHAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)Nc1cccc(Cl)n1 95944162 KSODPBIEZJLMHX-UHFFFAOYSA-N 350.749 3.696 0 40 FHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCN(c2ccccc2F)CC1 20046830 YUEVEKLQYYWNIY-FQEVSTJZSA-N 370.468 3.949 0 40 FHAB Cc1ccc(-c2noc(COC(=O)c3ccc(C(F)(F)F)nc3)n2)cc1 26435918 NMPSFGPTTDLDLI-UHFFFAOYSA-N 363.295 3.816 0 40 FHAB Cc1ccc(CSCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 20237757 IHRXXVNIEWJVQW-UHFFFAOYSA-N 354.519 3.573 0 40 FHAB COc1ccc([C@@H](C)NC(=O)/C=C/c2c(OC)cccc2OC)cc1OC 20030253 UAACAMUUUKJTIE-IEZBTEQYSA-N 371.433 3.612 0 40 FHAB Cc1onc(C(C)C)c1C(=O)N1CCC[C@H](c2ccnc(N(C)C)c2)C1 72369440 SXIHLFJEFXBSDQ-INIZCTEOSA-N 356.470 3.587 0 40 FHAB O=S(=O)(CCC(F)(F)F)NCc1cccc(COc2ccccc2)c1 551169065 UCTVTXXRLWPQKO-UHFFFAOYSA-N 373.396 3.637 0 40 FHAB O=C(Cc1cccc(Br)c1)Nc1cccc(N2CCCC2=O)c1 72064089 POIMUINRQYZKTN-UHFFFAOYSA-N 373.250 3.757 0 40 FHAB Nc1nc(-c2ccc(Br)cc2)cc(-c2ccc3c(c2)OCO3)n1 71977734 IXHVNVDHKZNNCS-UHFFFAOYSA-N 370.206 3.884 0 40 FHAB CCOC(=O)c1cccc(NC(=O)CCc2ccc(OC)c(OC)c2)c1C 38757053 MIYNVWYTVDCMAP-UHFFFAOYSA-N 371.433 3.760 0 40 FHAB CCC[C@@H](C)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(=O)O 217581355 ZFTRAZHFWLBOGS-CYBMUJFWSA-N 368.499 3.596 0 40 FHAB Cc1cccc(Oc2nccnc2[C@@H]2CCCN(C(=O)c3ccccn3)C2)c1 72362252 UUEBYUVIRCAFRE-QGZVFWFLSA-N 374.444 3.992 0 40 FHAB Cc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1 225467458 UIXIJEPQXNCKOS-IBGZPJMESA-N 366.505 3.870 0 40 FHAB CSCc1ccc(CNC(=O)Nc2cccc([C@H]3CCC(=O)N3)c2)cc1 567222245 AXTDGULNHTUIOI-GOSISDBHSA-N 369.490 3.822 0 40 FHAB Cn1cc(-c2nn3c(-c4cccc(Cl)c4Cl)nnc3s2)cn1 40288452 QLDADHLZOPFFBL-UHFFFAOYSA-N 351.222 3.560 0 40 FHAB Cc1cn2c(n1)[C@@H](CNC(=O)N1CC3(CCC3)c3ccccc31)CCC2 521143058 RUSNCCSAUKXGFA-MRXNPFEDSA-N 350.466 3.720 0 40 FHAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC)c(C(=O)OCC)c1 225799821 HHTVSFYSXMXOGR-IBGZPJMESA-N 351.443 3.796 0 40 FHAB CCC[C@](C)(OC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 225796157 AIFKUULCAGBSEC-DJJJIMSYSA-N 351.443 3.794 0 40 FHAB CN(C)c1nc(N2CCCC2)ncc1NC(=O)c1ccc(C(C)(C)C)cc1 224351111 AXZOIFUGOKMECV-UHFFFAOYSA-N 367.497 3.693 0 40 FHAB Brc1ccc(-c2nnc3sc(-c4ccco4)nn23)s1 44903227 FQMCSWNQJLKBSM-UHFFFAOYSA-N 353.226 3.937 0 40 FHAB CCn1c(=O)sc2cc(NC(=O)[C@H](C)Oc3ccc(F)cc3)ccc21 225097974 FQYLTPRGUYRAAR-NSHDSACASA-N 360.410 3.628 0 40 FHAB COc1ccc(C)cc1S(=O)(=O)Nc1cc(-c2ccccc2C)[nH]n1 223254765 NTJIHXSWZXPZBE-UHFFFAOYSA-N 357.435 3.503 0 40 FHAB FC(F)(F)c1cc(N2CCCC2)nc(NC(=S)NC2CCCCC2)n1 226009253 QCNZYOAQIBLALI-UHFFFAOYSA-N 373.448 3.715 0 40 FHAB CCCOc1ccc(NC(=O)[C@](C)(CC)OCC)cc1C(=O)OCC 225816725 KZEKKQGPDDRKJZ-IBGZPJMESA-N 351.443 3.796 0 40 FHAB Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2nc3nc(C)c(C)c(C)n3n2)c1 40119197 OBZNMODMMNODBO-OAHLLOKOSA-N 369.494 3.786 0 40 FHAB O=C(COc1ccccc1O)N1CCC(c2c[nH]c3ccccc23)CC1 97027114 NFEGOPBBBZQTPD-UHFFFAOYSA-N 350.418 3.659 0 40 FHAB c1csc(CN2CC[C@@H]3OCCC[C@]3(COCc3ccncc3)C2)c1 96040173 ZUZCLTRYPZAVFM-VQTJNVASSA-N 358.507 3.731 0 40 FHAB CCOc1ccc([C@H](N)c2n[nH]c(-c3ccc(Cl)cc3)n2)cc1OCC 95534526 HMMBYFHUOKQYRK-KRWDZBQOSA-N 372.856 3.971 0 40 FHAB COc1ccc(C[C@H]2CN(C(=O)CC3=CCCCC3)CC[C@@H]2OC)cc1 96110587 QLTOEMQUTBWKKE-FPOVZHCZSA-N 357.494 3.992 0 40 FHAB COCCn1c(C(=O)N2CCCO2)cc2c1c1ccccc1n2C(C)C 96037327 JFEQXYBSFOEUTQ-UHFFFAOYSA-N 355.438 3.601 0 40 FHAB O=C(c1cc2ccccc2o1)N1Cc2ccnn2[C@H](CCOCC2CC2)C1 247801385 FYTXBUFKCVJGKF-GOSISDBHSA-N 365.433 3.643 0 40 FHAB COc1ncccc1C(=O)N1CCC[C@@H](Cc2cccc3ncccc23)C1 257271362 MXZNZYDGYUNYNB-INIZCTEOSA-N 361.445 3.733 0 40 FHAB COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)C(C)(C)OC)o1 257221539 DPMNFAYENQZWTK-QGZVFWFLSA-N 372.465 3.753 0 40 FHAB CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C[C@H]1CCCO1 260911779 DENGVJWHGYTDPE-ATZDWAIDSA-N 370.522 3.616 0 40 FHAB C[C@@H]1COCC[C@H]1NC(=O)N1CCC(CCc2ccc(F)cc2F)CC1 654546579 WHOMPONUSMTXEZ-AUUYWEPGSA-N 366.452 3.744 0 40 FHAB CO[C@](C)(CNC(=O)c1ccc(Br)o1)c1cccc(Cl)c1 96392566 IQFQYNZEHLCPOQ-OAHLLOKOSA-N 372.646 3.987 0 40 FHAB Cc1cccc(CN2Cc3cccn3C[C@@H](CCNc3ccccn3)C2)n1 585095541 VVJLVDKMOAPTJK-IBGZPJMESA-N 361.493 3.721 0 40 FHAB Clc1ccc(CN2CC3(C[C@@H](OCC4CCOCC4)CS3)C2)cc1 585104451 ITZFTKMRPWXUSY-GOSISDBHSA-N 367.942 3.843 0 40 FHAB CCN(Cc1scnc1C)[C@H]1CCOC2(CCN(C(C)C)CC2)C1 1615158213 QSONFFCRWLTCNR-KRWDZBQOSA-N 351.560 3.695 0 40 FHAB CCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1OC 860629 WVCHYSXMGRVNSA-WEVVVXLNSA-N 355.390 3.517 0 40 FHAB C[C@H](NC(=O)NC[C@@H](O)c1cccc2ccccc12)c1cccc(O)c1 1564666656 WJMVKJFOXPJWJE-VBKZILBWSA-N 350.418 3.639 0 40 FHAB CC1(C)CC(=O)c2c(n3c(c(Br)c2=O)-c2ccccc2CC3)C1 5425565 JXDMAJUUBXIIGG-UHFFFAOYSA-N 372.262 3.989 0 40 FHAB biogenic CCCCn1c(CCCNC(=O)COc2ccccc2)nc2ccccc21 5235731 YFRHXQHPOSKSTF-UHFFFAOYSA-N 365.477 3.964 0 40 FHAB O=C(Nc1cccc(Cl)c1)N[C@@H](Cc1ccc(Cl)cc1)C(=O)O 5892135 OTUXKZHQBLKNHY-AWEZNQCLSA-N 353.205 3.811 0 40 FHAB CC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@H]21 12436771 QFKKOOAREIAMNX-OCVGTWLNSA-N 358.235 3.707 0 40 FHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCc2ccccc2Cl)c1 14129630 ULWKCAUBPYOUNC-UHFFFAOYSA-N 360.797 3.614 0 40 FHAB Cc1nn2c(nc1=O)SC[C@@H](Sc1ccccc1)[C@H]2c1ccccc1 16779258 YVFSJUHCEQPPGQ-IAGOWNOFSA-N 367.499 3.803 0 40 FHAB C[C@H](CCN1C[C@H]2CCc3nnc(-c4ccncc4)n3[C@H]2C1)c1ccccc1 19455737 ZTMUFQCCNWOSIC-UIFIKXQLSA-N 373.504 3.953 0 40 FHAB Cc1nn([C@H](C)CC(=O)NCc2ccc3c(c2)CCCO3)c(C)c1Cl 19577569 VZWTZMBHQLWTBQ-GFCCVEGCSA-N 361.873 3.746 0 40 FHAB Cc1nc(-c2ccccc2F)sc1C(=O)NCCN(C)C1CCCC1 19714480 CXISEDSMNFMVQO-UHFFFAOYSA-N 361.486 3.862 0 40 FHAB CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1 7054719 OWCSNTFAVGVCPA-UHFFFAOYSA-N 360.479 3.586 0 40 FHAB Cc1cc(Nc2ncc(C)s2)nc([C@H]2CCCCN2Cc2ncc[nH]2)n1 2037836169 RMGSRVKJQMBYBQ-CQSZACIVSA-N 369.498 3.744 0 40 FHAB CCOc1ccc(N2C[C@@](O)(c3ccc(Cl)cc3)[N+]3=C2CCCC3)cc1 2966389 FOPCUZVPRYNMAT-OAQYLSRUSA-N 371.888 3.999 0 40 FHAB Cc1cccc(OCC(=O)NCCc2csc(-c3cccc(F)c3)n2)c1 5137533 MVZAIXXEUOZTDS-UHFFFAOYSA-N 370.449 3.995 0 40 FHAB Cc1ccc(-c2cn3c(CC(=O)NCc4ccco4)csc3n2)cc1 5147114 PNEXQLJUTFJELE-UHFFFAOYSA-N 351.431 3.823 0 40 FHAB Cc1ccc(N2C[C@H](CNC(=O)Nc3cccc(Cl)c3)CC2=O)cc1 9040396 MKBMSCQKSLXICA-AWEZNQCLSA-N 357.841 3.823 0 40 FHAB O=C(c1cccc(Cl)c1)N1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 2055834930 BGYIZNHYTNJKTQ-YLJYHZDGSA-N 372.852 3.578 0 40 FHAB O=c1ccn(-c2ccccc2)nc1-c1nc(-c2ccc(F)c(Cl)c2)no1 49006328 PSIAXOYLWARUMY-UHFFFAOYSA-N 368.755 3.742 0 40 FHAB CCc1sc(C(=O)NCC(=O)Nc2cccc3ncccc23)cc1C 40069486 IKRDDRZXOLLLIE-UHFFFAOYSA-N 353.447 3.536 0 40 FHAB Cc1ccc(S(=O)(=O)NCC[C@]2(C(C)C)CCOC(C)(C)C2)cc1 2397866 SGARNWUALYQSGO-IBGZPJMESA-N 353.528 3.895 0 40 FHAB C[C@@H](Nc1ccc(I)cc1)C(=O)NC1CCCCC1 7225022 PWYWFSWVVUJJQH-LLVKDONJSA-N 372.250 3.541 0 40 FHAB O=C(Nc1ccc(Cl)cc1)N1CCC[C@H](c2nnc3ccccn23)C1 11008954 BYFBABJZMBZGRR-ZDUSSCGKSA-N 355.829 3.794 0 40 FHAB Cc1cc2ccccc2n2c(SCC(=O)N3CCc4ccccc43)nnc12 1223187 KEZQSYBTAGFRAX-UHFFFAOYSA-N 374.469 3.872 0 40 FHAB CC(C)CC(=O)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 1267295 RHUJLPJKAGTIIQ-UHFFFAOYSA-N 371.506 3.695 0 40 FHAB C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C 2556684 ZEMPPUAPDWWJPV-ZBFHGGJFSA-N 365.470 3.827 0 40 FHAB COC[C@H](C)NC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 3294742 CSPPMGGYCMXAHY-JTQLQIEISA-N 363.870 3.814 0 40 FHAB Cc1ccc(Cl)cc1NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 11264738 PVXYKIGQVSKNQL-ZDUSSCGKSA-N 357.841 3.824 0 40 FHAB O=C1Nc2ccccc2CC[C@H]1S(=O)(=O)c1ccc2ccccc2c1 32094398 MYHMKNOGMSGVSV-LJQANCHMSA-N 351.427 3.567 0 40 FHAB O=C(Nc1ccn(CCc2ccccn2)n1)c1ccc(Br)cc1 51417596 CRURGZHHILYVII-UHFFFAOYSA-N 371.238 3.536 0 40 FHAB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1ccc(F)cc1 6495457 PVMPTVDQJULORT-UHFFFAOYSA-N 362.817 3.995 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)cc1 6845397 KQYLERYKGJJNQP-UHFFFAOYSA-N 356.426 3.660 0 40 FHAB CCc1nnsc1C(=O)NCCc1nc(C2CCCCC2)cs1 109976676 OOCUHJQSBZVNPH-UHFFFAOYSA-N 350.513 3.577 0 40 FHAB COc1cccc(C2=C[C@H](c3ccc(OC(F)F)cc3)n3ncnc3N2)c1 101514159 DACHULROIOVDDG-QGZVFWFLSA-N 370.359 3.944 0 40 FHAB COC(=O)C[C@@H](NC(=O)c1ccc(COC(C)C)cc1)c1cccs1 21202665 IRVNFVKURDWVBR-MRXNPFEDSA-N 361.463 3.707 0 40 FHAB Cc1cc(CN2CCN(Cc3nc4ccccc4c(C)c3Cl)CC2)no1 32759813 SVRKPMBXFXFBJE-UHFFFAOYSA-N 370.884 3.811 0 40 FHAB CCc1cccc(N[C@@H](C)C(=O)Nc2cc(NC(C)=O)ccc2OC)c1 29409128 SSSRHWHNEIYSEZ-ZDUSSCGKSA-N 355.438 3.655 0 40 FHAB O=C(NCc1ccsc1)N1CCCN(Cc2ccc(Cl)cc2)CC1 46025703 KOXZAIPSMYPEIX-UHFFFAOYSA-N 363.914 3.819 0 40 FHAB O=C1/C(=C\Nc2nccs2)c2ccccc2C(=O)N1c1ccccc1F 102328041 NSOGBJINCWCQIR-KAMYIIQDSA-N 365.389 3.922 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)NCCc1cc(Cl)c2c(c1)OCCO2 32863245 LPNHNZRZDKBRIG-SWLSCSKDSA-N 352.862 3.532 0 40 FHAB C[C@H](CNS(=O)(=O)c1ccc2ccccc2c1)N1CCc2ccccc21 32815002 QLEYCQPORBPAHZ-MRXNPFEDSA-N 366.486 3.569 0 40 FHAB Cc1cccc(C)c1NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 22273240 HKHDSDLKAMGWFL-UHFFFAOYSA-N 374.506 3.832 0 40 FHAB O=C(CSc1ccc(F)cc1)OCc1nnc(-c2cccs2)o1 32945051 AXBXXCVCCFCDOP-UHFFFAOYSA-N 350.396 3.773 0 40 FHAB CC(C)Oc1ccc(C(=O)N(CCc2ccccc2)CCN(C)C)cc1 32931124 AQWQMFVPFZSZPJ-UHFFFAOYSA-N 354.494 3.720 0 40 FHAB O=C(Cc1ccccc1Cl)NC1CCN(C(=O)C2CCCCC2)CC1 32924623 YWNNGSWFSXFSOJ-UHFFFAOYSA-N 362.901 3.570 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCc1nnc(-c2ccccc2)o1 2644271 KZKSPHJYWLYRLZ-UHFFFAOYSA-N 374.400 3.896 0 40 FHAB C[C@H](OC[C@H](O)CNC1CC(C)(C)NC(C)(C)C1)c1ccc(Cl)cc1 2652686 QEILUEXGBCCJPY-KBXCAEBGSA-N 368.949 3.677 0 40 FHAB COc1ccc2ccc(OC(=O)c3ccc(Cn4cncn4)cc3)cc2c1 21897402 XBXOJVYMFXNPRQ-UHFFFAOYSA-N 359.385 3.707 0 40 FHAB CCc1cc2c(SCC(=O)NCc3ccc(OC)cc3)ncnc2s1 2623635 GKFPZLXLEOHAKR-UHFFFAOYSA-N 373.503 3.671 0 40 FHAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(-c2cccc(F)c2)no1 33146998 VGIOBGBNJGQKCN-UHFFFAOYSA-N 367.380 3.570 0 40 FHAB CCOc1cc2c(cc1/C=C/C(=O)Nc1ccc3c(c1)OCO3)O[C@H](C)C2 7597942 WFOJSPRRAZKKRM-WXJAXGNASA-N 367.401 3.789 0 40 FHAB Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cnoc3C)cc2)cc1F 54269531 RAKJWFLVWHFTHX-UHFFFAOYSA-N 353.353 3.935 0 40 FHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2cccc(Cl)c2)c1 959236 BQYNZYPDXZEFSU-UHFFFAOYSA-N 362.769 3.557 0 40 FHAB COc1ccc(-c2nsc(NC(=O)[C@@H](C)Oc3ccccc3F)n2)cc1 12111385 KKFBEBPLCXZFNO-LLVKDONJSA-N 373.409 3.759 0 40 FHAB O=C(Nc1ccccc1C(=O)N1CCCCC1)C1=Cc2ccccc2OC1 24134729 KWRDMOAFDSBOCP-UHFFFAOYSA-N 362.429 3.727 0 40 FHAB Cc1c(C(=O)NCCN(C(C)C)C(C)C)cnn1-c1cccc(Cl)c1 24544093 VAHNKGKZEKVPII-UHFFFAOYSA-N 362.905 3.683 0 40 FHAB COc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3O)n[nH]2)c(OC)c1 12475325 MLRGLXWPSOROCK-UHFFFAOYSA-N 373.796 3.705 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)OCc1ccc(C(=O)N2CCCC2)cc1 25697075 GXHIWEBCBSSPDY-UHFFFAOYSA-N 362.429 3.690 0 40 FHAB CN1CC[C@H](NC(=O)[C@@H]2Cc3ccccc3S2)[C@H]1c1ccc(F)c(F)c1 107544229 URZWFIYWJNWTAQ-YTQUADARSA-N 374.456 3.543 0 40 FHAB O=C(Cn1cnc2c(sc3ccccc32)c1=O)NCCC1=CCCCC1 57507926 OXHDVVFHWLYKBG-UHFFFAOYSA-N 367.474 3.618 0 40 FHAB COCCN[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 57999867 HYAYHKSPYUKJLE-INIZCTEOSA-N 353.249 3.909 0 40 FHAB CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC(=O)c1occc1COc1ccccc1 76022492 BJHWMBOCTOTIMR-UHOSZYNNSA-N 355.434 3.792 0 40 FHAB CCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(Oc2ccccc2)c1 78461534 YTMARAYQOSZISZ-QGZVFWFLSA-N 356.447 3.729 0 40 FHAB COCc1cccc(C(=O)NCc2ccc(N3CCCCCC3)nc2)c1 48275290 KYBLRNNXXXCXAL-UHFFFAOYSA-N 353.466 3.538 0 40 FHAB c1cnc(-c2nc(CN(Cc3cccs3)C[C@H]3CCCO3)cs2)nc1 48344840 KZBWSZNAFISEPI-OAHLLOKOSA-N 372.519 3.843 0 40 FHAB CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1ccc(=O)[nH]c1 12874660 NWPFBMZFIIQHBI-UHFFFAOYSA-N 362.429 3.616 0 40 FHAB Cc1nc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)nn1-c1ccc(Cl)cc1 12977811 OIIFPIHQWSPMGT-LLVKDONJSA-N 372.778 3.644 0 40 FHAB CSc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(F)c(F)c2)c(C)n1 12995058 QTZMJFIGLGQYOI-SNVBAGLBSA-N 365.449 3.904 0 40 FHAB CCCCN1C(=S)S[C@H](N(O)C(=O)NC2CCCCC2)C1(C)C 3991729 RRMFBYUVPSIKJX-ZDUSSCGKSA-N 359.561 3.958 0 40 FHAB Cc1ccc2c(CC(=O)OCC(=O)N3[C@H](C)CCC[C@H]3C)coc2c1C 5301938 BXPLSVXBMINMMP-HUUCEWRRSA-N 357.450 3.925 0 40 FHAB COc1ccc(OCC(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1 21576419 PJUDVKMGLIWSDZ-UHFFFAOYSA-N 358.413 3.842 0 40 FHAB O=C(Nc1ccc2nc(C3CC3)sc2c1)[C@@H]1CCCN1C(=O)C1CC1 69178492 REVVSQXMCPPHNF-HNNXBMFYSA-N 355.463 3.513 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1C 8264790 GKUMWTQCYADBSD-MRXNPFEDSA-N 368.433 3.583 0 40 FHAB Cc1cc(C)cc(C(=O)NCC(=O)N(C)CC23CC4CC(CC(C4)C2)C3)c1 14236186 MYRPTJIQTVPFDW-UHFFFAOYSA-N 368.521 3.708 0 40 FHAB O=C(NCCCn1cnc2ccccc21)N1CC2C[C@H]3CC1C[C@@H](C2)C3 65987348 XEIRKRWTBALGMV-OQSMONGASA-N 352.482 3.647 0 40 FHAB O=C(Cn1cc(-c2ccccc2)[n+]2c1CCC2)c1ccc(OC(F)F)cc1 16976058 IZJNHZYBWYOGQV-UHFFFAOYSA-N 369.391 3.873 0 40 FHAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3OC(F)F)CC2=O)cc1 6627000 CNHBVCPRDMEBNT-ZDUSSCGKSA-N 360.360 3.588 0 40 FHAB Cc1ccc(-n2c(=O)c3c4c(sc3n3c(=S)[nH]nc23)CCC4)cc1 5601323 IJWMNGVIDBEGCE-UHFFFAOYSA-N 354.460 3.555 0 40 FHAB O=C(NCc1ccc2c(c1)OCO2)N(Cc1ccco1)Cc1cccs1 8394923 BQKRONKYMSAVMN-UHFFFAOYSA-N 370.430 3.982 0 40 FHAB CN(C)c1cccc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)c1 6832192 GMDFJMIYORGRNW-UHFFFAOYSA-N 357.797 3.813 0 40 FHAB Cc1cccc(Cn2c(=O)n(-c3cccc(F)c3)c(=O)c3sccc32)c1 67258249 YLAJCDHHKMOVGO-UHFFFAOYSA-N 366.417 3.710 0 40 FHAB O=C([C@H](Sc1nnc2n1CCCCC2)c1ccccc1)N1CCCCC1 7081626 NCZSHNJADIPXOI-GOSISDBHSA-N 370.522 3.850 0 40 FHAB Cc1csc2nc(CSc3nc(-c4ccc(F)cc4)c[nH]3)cc(=O)n12 8744726 BLDLMAFPJSFPBH-UHFFFAOYSA-N 372.450 3.886 0 40 FHAB CCn1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)c(=O)c2cc(C)ccc21 22606017 PORYDYASBXVATJ-AWEZNQCLSA-N 352.409 3.960 0 40 FHAB COc1ccc(-c2n[nH]cc2[C@@H]2CC(O)=Nc3c2cnn3C(C)C)cc1 71283277 PRRWTYDLIHRCGF-AWEZNQCLSA-N 351.410 3.986 0 40 FHAB Cc1cccnc1NC(=O)CCc1c(C)nc2c(cnn2C(C)C)c1C 9220692 XQDSCTJZJUWFLY-UHFFFAOYSA-N 351.454 3.904 0 40 FHAB CC[C@H](Nc1ccc(Br)cc1C)C(=O)Nc1cc(C)on1 9322129 VIFRNXJYRGPLSQ-LBPRGKRZSA-N 352.232 3.883 0 40 FHAB CCCC12CN3CC(C)(CN(C1)C3c1ccc(Cl)cc1Cl)C2=O 96318595 JRJNGIYCCKMNNQ-UHFFFAOYSA-N 353.293 3.999 0 40 FHAB CCc1cc2c(=O)n3c(nc2s1)/C(=C\c1ccc(C(=O)OC)cc1)CC3 96759298 PHPAQUGDDDDYMR-UVTDQMKNSA-N 366.442 3.751 0 40 FHAB CC(C)(C)OC(=O)N[C@H](CNC(=O)CCc1ccco1)c1ccccc1 72297667 KTGRIHDQGFRPCD-QGZVFWFLSA-N 358.438 3.594 0 40 FHAB CC(C)CN(CCN(C)C)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 72314436 PTWBKDTWVMUAKT-UHFFFAOYSA-N 361.486 3.780 0 40 FHAB COCCOc1cccc(C(=O)Nc2cc(C)nn2-c2ccccc2C)c1 95947520 IJPROPOHOPJUDV-UHFFFAOYSA-N 365.433 3.767 0 40 FHAB O=C(Nc1ccc(-c2nccs2)cc1)c1cn(Cc2ccccc2)nn1 25448165 VOHLYNIUYLKQRV-UHFFFAOYSA-N 361.430 3.702 0 40 FHAB CN1CC[C@H](NC(=O)c2ccc(Cl)nc2)[C@@H]1c1ccc(Cl)cc1 89375131 QKVLPWHMQZDMLW-HOCLYGCPSA-N 350.249 3.564 0 40 FHAB CCc1oc2ccccc2c1CC(=O)NC[C@@H]1CCCn2cc(C)nc21 528885685 WAAQIKMRJQXSKH-HNNXBMFYSA-N 351.450 3.736 0 40 FHAB Cc1cc([C@H](O)CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(C)o1 1565519719 MSBDRZDKCLSSPT-MRXNPFEDSA-N 351.830 3.557 0 40 FHAB O=C(NCc1cccnc1)c1cc(Br)ccc1-n1cccc1 31819797 XCHHIOVGXATIKF-UHFFFAOYSA-N 356.223 3.565 0 40 FHAB CN(C)c1ccc(-c2nnc([C@H]3CCN(Cc4ccccc4F)C3)o2)cc1 49170201 XEBXAAGPMUKSKL-KRWDZBQOSA-N 366.440 3.931 0 40 FHAB biogenic,in-vitro O=C(Nc1cccc(OC(F)F)c1)N1CCN(Cc2ccccc2)CC1 40120527 FDOKSSWKRLBKGT-UHFFFAOYSA-N 361.392 3.638 0 40 FHAB COc1cccc(C(=O)NCCCc2cccc(OC(C)C)c2)c1OC 225048314 RALNPANHLXOLJD-UHFFFAOYSA-N 357.450 3.854 0 40 FHAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C)c2)c1 224549546 FQRUKSJKXIPXDD-MOPGFXCFSA-N 364.474 3.606 0 40 FHAB S=C1N[C@H](c2ccccn2)[C@H](c2cccs2)N1Cc1cccnc1 223447811 MGQGQKHZDNAGBW-SJORKVTESA-N 352.488 3.711 0 40 FHAB COCCn1cc(CC(=O)Nc2cccc3c2ccn3C)c2ccccc21 80332027 SCJOLBGBXNTJDE-UHFFFAOYSA-N 361.445 3.961 0 40 FHAB COc1ccc(C(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1C 223442744 YENQRSXDGMJTQZ-UHFFFAOYSA-N 351.406 3.634 0 40 FHAB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)COc2ccc(C)cc2)c1 225642226 DVVDHQSEZKRVSZ-HNNXBMFYSA-N 372.490 3.926 0 40 FHAB CCSc1nnc(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)s1 225701014 FCUXBBOALAPVDN-UHFFFAOYSA-N 373.525 3.583 0 40 FHAB CC(C)(Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 222725906 WEEOVNHVTPJZSB-UHFFFAOYSA-N 368.296 3.749 0 40 FHAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(CN2CCCC2)cc1 44938407 JQTGNDNATKNXRL-UHFFFAOYSA-N 363.461 3.662 0 40 FHAB Cc1nc(SCC(=O)Nc2ccccc2C)cc(-c2ccccn2)n1 49007091 FBRHTQIMKFMCGL-UHFFFAOYSA-N 350.447 3.886 0 40 FHAB O=C(NCC1CCN(C(=O)Oc2ccccc2)CC1)c1ccc(F)c(F)c1 43983265 DEFUZFCIQYAWDF-UHFFFAOYSA-N 374.387 3.606 0 40 FHAB COc1ccc(CN2C[C@@H]3CCC[C@](O)(c4ccccc4OC)[C@H]3C2)cc1 247877557 HPMXDWWNRHTGIO-HARLFGEKSA-N 367.489 3.824 0 40 FHAB CC(C)(CNC(=O)N[C@@H]1CCc2c[nH]nc2C1)c1ccc2ccccc2c1 623754979 WOCUMRHOPTWNIE-LJQANCHMSA-N 362.477 3.697 0 40 FHAB CN(Cc1ccccc1NC(=O)c1ccc(C(=O)O)nc1)C1CCCCC1 640514890 LAPHQELDDWBWBY-UHFFFAOYSA-N 367.449 3.797 0 40 FHAB O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)c1ccc(C2CC2)cc1 667312574 UKYSOKNOYPMPER-OAQYLSRUSA-N 368.452 3.506 0 40 FHAB CSCc1cccnc1C(=O)N1CCC[C@H](c2c[nH]c3ncccc23)C1 602196750 BIDOKMLYYKJQCB-AWEZNQCLSA-N 366.490 3.841 0 40 FHAB O=C(Nc1nc(C2CCC2)cs1)N1CCO[C@H](Cc2ccccc2)C1 568587600 UEBGXZBOZRHMTF-MRXNPFEDSA-N 357.479 3.886 0 40 FHAB CC[C@@H](C)CN1C[C@H]2c3ccccc3[C@@H](NC(=O)c3cc(C)on3)[C@H]2C1 585109531 AUKBRNHGDXASKY-VYVMZURQSA-N 353.466 3.529 0 40 FHAB CO[C@H]1CN(C(=O)/C=C/c2csc(C)n2)CC[C@@H]1Cc1ccccc1C 585290690 TWCDMQDWLHTKLD-ZZHWGSSASA-N 370.518 3.879 0 40 FHAB COc1ccc(CN2CCC(NC(=O)Nc3ccccc3C)CC2)cc1F 47321681 QXHWLALYLVDQCT-UHFFFAOYSA-N 371.456 3.929 0 40 FHAB CCOC(=O)[C@H]1CC=C(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 220577852 DKCNGEQTYFAMNQ-KRWDZBQOSA-N 356.271 3.732 0 40 FHAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 5128960 NHUMIKUBKSJSCE-UHFFFAOYSA-N 368.477 3.973 0 40 FHAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)c(C)c1 5329176 ABVAIAGBKUFSHR-UHFFFAOYSA-N 358.463 3.539 0 40 FHAB COc1ccc2oc(=O)c(C(=O)Nc3cccc(Br)c3)cc2c1 5361411 HVONKSRFTZCVIV-UHFFFAOYSA-N 374.190 3.816 0 40 FHAB Cc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 5558360 KZHISUVVWVZUNH-UHFFFAOYSA-N 372.490 3.730 0 40 FHAB CCN(Cc1ccccc1)C(=O)c1cccc(I)c1 5591660 OGCUQWSIQCFKIA-UHFFFAOYSA-N 365.214 3.954 0 40 FHAB Cc1cc(-c2cn[nH]c2[C@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)on1 12115930 TYZUKDSNJBIYKB-ZDUSSCGKSA-N 369.400 3.924 0 40 FHAB COc1ccc(CN2C[C@@H]3[C@@H](CCC[C@@]3(O)c3ccccc3OC)C2)cc1 12328564 HPMXDWWNRHTGIO-QTGUNEKASA-N 367.489 3.824 0 40 FHAB CC(=O)N1Cc2ccccc2O[C@@H]([C@@H]2CCCN(Cc3ccc(C)o3)C2)C1 19216603 WXDOUYDZPYTWSA-XMSQKQJNSA-N 368.477 3.610 0 40 FHAB Cc1nc([C@H]2CCCCN2C2CCCC2)ncc1C(=O)N1CCCCC1 19765731 ZPMICKCDXHATML-LJQANCHMSA-N 356.514 3.881 0 40 FHAB O=C(CCn1ccc2c(Cl)cccc21)NC[C@H]1CC[C@H](C(=O)O)CC1 101661517 IAAWPKUXSMTBQE-OKILXGFUSA-N 362.857 3.692 0 40 FHAB CC1CCC(C(=O)N2CCc3[nH]nc(-c4ccc(F)cc4)c3CC2)CC1 1565549900 IPDWTYVADFGJPK-UHFFFAOYSA-N 355.457 3.969 0 40 FHAB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)C1=COCCO1 4275422 RTCOBCPHCLJNOO-UHFFFAOYSA-N 357.218 3.944 0 40 FHAB O=C(CSCc1ccccc1)N[C@@H](c1cccnc1)C1CCOCC1 225618221 RAUKUGCOKNCQEO-HXUWFJFHSA-N 356.491 3.599 0 40 FHAB Cn1ccc([C@@H]2CCCN(C(=O)c3csc(-c4ccccc4)n3)C2)n1 575616551 PPAJQHVEQNJAMB-OAHLLOKOSA-N 352.463 3.563 0 40 FHAB Cc1cc(C)n([C@@H](CNC(=O)Cc2ccccc2Cl)c2ccco2)n1 575614554 WMNPHJFHAVIAAE-KRWDZBQOSA-N 357.841 3.695 0 40 FHAB COc1ccc(Oc2ccc(CNCc3cccc4c3OCO4)cn2)cc1 40120016 KWMNYLOWPPIJSG-UHFFFAOYSA-N 364.401 3.901 0 40 FHAB CCc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2C)cc1 1361130 KWFOYZKEAJPXRI-UHFFFAOYSA-N 356.451 3.677 0 40 FHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cc2c(s1)CCCC2 31415650 QKCRRJOFRGUQAS-UHFFFAOYSA-N 362.882 3.991 0 40 FHAB O=C(COc1ccc(Br)cc1F)NCc1ccccc1Cl 3404357 WMQSHXHQIDTKMI-UHFFFAOYSA-N 372.621 3.937 0 40 FHAB O=C(NC(=S)Nc1ccc2oc(=O)ccc2c1)c1cc2ccccc2o1 2440672 MGBMNMYXAWQDAV-UHFFFAOYSA-N 364.382 3.666 0 40 FHAB CCN(CC)C(=O)COc1ccc(NC(=O)CC(C)(C)C)cc1Cl 31955806 ZACAOHYYNVFUHF-UHFFFAOYSA-N 354.878 3.962 0 40 FHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)nc1 28939778 KIBAAIGVKGGEON-IAGOWNOFSA-N 373.522 3.779 0 40 FHAB O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(CN2CCCC2)cc1 6548427 WZNPFJFACHWIEG-JLHYYAGUSA-N 365.502 3.809 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 7398553 VETLULZUUVSHNS-DOTOQJQBSA-N 352.434 3.634 0 40 FHAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Oc2cc(C)cc(C)c2)CC1=O 7928761 NKNYQUFKZRMNPI-CQSZACIVSA-N 373.836 3.924 0 40 FHAB CCc1cccc(C)c1NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 11531348 ZDOPXPQXGJOPTB-UHFFFAOYSA-N 355.829 3.503 0 40 FHAB O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCCCCC1 8181444 LMXQEBYJDQPNML-UHFFFAOYSA-N 358.463 3.504 0 40 FHAB O=C(OCC(=O)N1c2ccccc2OC[C@H]1c1ccccc1)c1ccco1 8447807 XTSZZRDTEBGONL-KRWDZBQOSA-N 363.369 3.603 0 40 FHAB C[C@@H](CNC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1)c1ccsc1 80608113 WRPNOZSZEHHQGH-YVEFUNNKSA-N 366.433 3.913 0 40 FHAB CCN1CCN(c2ccc(NC(=O)c3cccc4cccnc34)c(C)c2)CC1 32719532 ASCJFUMAIPDLEY-UHFFFAOYSA-N 374.488 3.937 0 40 FHAB CCn1cc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)c2ccccc21 32784534 LYFSBHTWHADWGC-UHFFFAOYSA-N 354.406 3.939 0 40 FHAB NC(=O)c1cc(SC[C@H](O)c2ccc(Cl)cc2)nc2ccccc12 32907165 XACAIBPRVPKDPM-INIZCTEOSA-N 358.850 3.813 0 40 FHAB O=C(N[C@H](c1ccccc1)c1ccccn1)c1cncc(Br)c1 32987951 BQJQGIGKWSWBCF-QGZVFWFLSA-N 368.234 3.759 0 40 FHAB COc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2)cc1OC 20454257 LHRZIAIUJLBGFA-LBPRGKRZSA-N 369.870 3.538 0 40 FHAB O=C1C[C@H](Nc2ccc3c(c2)CCC3)C(=O)N1c1cccc(C(F)(F)F)c1 103292748 FWGJCMKLLJJLFT-KRWDZBQOSA-N 374.362 3.938 0 40 FHAB COc1ccc(-c2nn3c(-c4ccc(C)cc4)nnc3s2)cc1OC 632536 CEWTUPNNGVKRDW-UHFFFAOYSA-N 352.419 3.845 0 40 FHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1 670545 INIVJRHQCLHDAM-UHFFFAOYSA-N 358.463 3.504 0 40 FHAB COc1ccc(-c2c(C)n(O)c(C)c(-c3ccccc3)[n+]2=O)cc1OC 103719418 CNIOCGBUNKWZEB-UHFFFAOYSA-N 353.398 3.608 0 40 FHAB CCCN1CCN([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 22787103 VKVRSKBKZWRWAQ-HXUWFJFHSA-N 355.457 3.533 0 40 FHAB COc1ccccc1-c1noc(CNc2ccc3c(c2)OC(F)(F)O3)n1 22733411 JMEZFXRYTBLYMP-UHFFFAOYSA-N 361.304 3.679 0 40 FHAB CCn1c(CNCc2cccc(C(=O)N3CCCC3)c2)nc2ccccc21 54175244 DRRWJUQUQHSACY-UHFFFAOYSA-N 362.477 3.582 0 40 FHAB O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N1CCc2ccccc21 47334985 JZFFPNZXFIYTNW-UHFFFAOYSA-N 353.441 3.562 0 40 FHAB COc1ccc(NC(=O)c2cc(-c3cc(C)c(C)cc3O)[nH]n2)c(OC)c1 12475289 RCZASBBLWHYQOY-UHFFFAOYSA-N 367.405 3.669 0 40 FHAB O=C(CCc1ccccc1O)N1CCN(Cc2cccc3ccccc23)CC1 23957180 JOSUQJVHPAIOMX-UHFFFAOYSA-N 374.484 3.822 0 40 FHAB CCOc1ccc(OCC)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1 12543703 KYEBNFOBPLLKLQ-UHFFFAOYSA-N 370.449 3.573 0 40 FHAB CCC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 24973420 SUNTUYOKZINOAR-XLIONFOSSA-N 368.477 3.829 0 40 FHAB COc1ccc(Cl)cc1CN1CCN(c2nc3ccccc3o2)CC1 26713510 BWEJNBHKXWXMRQ-UHFFFAOYSA-N 357.841 3.812 0 40 FHAB CCCN(CC1CC1)C(=S)NC(=O)c1ccccc1Br 3259203 OMTGOCDMPHVFQT-UHFFFAOYSA-N 355.301 3.586 0 40 FHAB COc1ccccc1OCCNC(=O)Nc1ccccc1N1CCCCC1 57970440 HOVGZOHIWNCEND-UHFFFAOYSA-N 369.465 3.886 0 40 FHAB O=C1C[C@@H](c2ccccc2)N1CN(Cc1ccccc1)C[C@H]1CCCO1 57995093 HRJGMWXBQCNKNT-RTWAWAEBSA-N 350.462 3.599 0 40 FHAB CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3cc(Cl)ccc3C)ccc21 12606723 QXDKMTITZHFYSW-ZDUSSCGKSA-N 371.868 3.997 0 40 FHAB CCOCC(=O)Nc1cc(C(=O)Nc2ccc(F)cc2)ccc1Cl 2069783 NIYBROHJRVJZMD-UHFFFAOYSA-N 350.777 3.706 0 40 FHAB CC(=O)N[C@@H](CC(=O)N[C@H](C)c1ccccc1Cl)c1cccs1 10081285 UTAKKQFFHIQUNH-ABAIWWIYSA-N 350.871 3.846 0 40 FHAB COc1ccc(N(C(=O)c2ccc(S(C)(=O)=O)cc2)[C@H](C)C2CC2)cc1 58195595 PMJNATGDQHCDRW-CQSZACIVSA-N 373.474 3.544 0 40 FHAB CN(C)[C@@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)c1cccs1 27676432 GCBMNDRQMXXNKU-ZDUSSCGKSA-N 358.385 3.679 0 40 FHAB Cc1csc(CCNC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)n1 58227340 MYUVZEOSCBIIDA-KGLIPLIRSA-N 365.296 3.676 0 40 FHAB COc1cc(CNCCCn2ccnc2)ccc1OCc1ccccc1 10313986 GRNPMKMYTMDWPY-UHFFFAOYSA-N 351.450 3.651 0 40 FHAB COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2C)ccc1Cl 58357065 MNXGQAFNUBHENH-UHFFFAOYSA-N 374.245 3.889 0 40 FHAB CC[C@H](C)NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1CC 10681963 IMPOZKFZDQSXSF-LBPRGKRZSA-N 358.467 3.718 0 40 FHAB NC(=O)[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)c1ccccc1 10772139 UTNYYXQNDTVQDK-AWEZNQCLSA-N 356.476 3.660 0 40 FHAB CCC(C)(C)NCC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 12799846 TWDVGQPLPDRWFO-UHFFFAOYSA-N 367.493 3.642 0 40 FHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)/C=C/c1ccc2ccccc2n1 12734080 AUAOCLZBHVDSJN-BUHFOSPRSA-N 373.456 3.962 0 40 FHAB CC(C)(C)C(=O)COC(=O)c1nccnc1-c1nc2ccccc2s1 12857836 SYAADJQRHBXGAO-UHFFFAOYSA-N 355.419 3.525 0 40 FHAB Cc1ccc(NC(=O)CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1C 12987460 APACRZLRLVQGDM-QGZVFWFLSA-N 363.465 3.516 0 40 FHAB COc1ccc2cc([C@H](C)C(=O)Nc3ccc(-n4cnnn4)cc3)ccc2c1 7986942 FJKHIZWQZUNJSC-AWEZNQCLSA-N 373.416 3.566 0 40 FHAB NC(=O)c1c(NC(=O)c2ccccc2OC(F)F)sc2c1CCCC2 7988112 JONSSCKILIQRKF-UHFFFAOYSA-N 366.389 3.580 0 40 FHAB CCOc1ccccc1C(=O)OCc1nc(-c2ccc(OC)cc2)no1 8494781 JYDVXELYQMKQBL-UHFFFAOYSA-N 354.362 3.501 0 40 FHAB COc1ccc(C(=O)[C@H](C)Sc2nnc(C)n2-c2ccccc2)cc1 6109495 GYSCFWSRRDCDFZ-ZDUSSCGKSA-N 353.447 3.948 0 40 FHAB O=S(=O)(c1ccccc1)c1nc(-c2cccs2)oc1N1CCCC1 39770803 ZAFLENUGNRYKFF-UHFFFAOYSA-N 360.460 3.836 0 40 FHAB Cc1cc(C)cc(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c1 22273243 HFNWRADOTFYXHU-UHFFFAOYSA-N 374.506 3.832 0 40 FHAB CC(C)(C)n1ncc(OCC(=O)c2ccc(Cl)cc2)c(Cl)c1=O 39930938 CGGCVDHYQNMCJR-UHFFFAOYSA-N 355.221 3.567 0 40 FHAB CC(C)[C@@H](NC(=O)CN1CCCC[C@H]1C)c1ccc2c(c1)OCCCO2 39987722 KQZOXWFPCZBAEO-IIBYNOLFSA-N 360.498 3.536 0 40 FHAB Cc1nn(CC(C)C)c2sc(C(=O)Nc3ccc4c(c3)C(=O)NC4)cc12 65474930 GWYZSWGTRJHZQQ-UHFFFAOYSA-N 368.462 3.558 0 40 FHAB O=c1c2ccccc2nnn1CSc1nc2cc(Cl)ccc2s1 6476373 UYCZQQIRMAXIRG-UHFFFAOYSA-N 360.851 3.804 0 40 FHAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)NC1CCCCCCC1 14139490 JBQHURHTFFDVJM-UHFFFAOYSA-N 350.513 3.898 0 40 FHAB Cc1ccccc1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1 4592937 OMHCSTNRUFTNPW-LOHFZDIYSA-N 374.440 3.783 0 40 FHAB O=C(Nc1ccc(Cl)cc1)c1cccc(N2CCCCS2(=O)=O)c1 5439011 JIPACCSSIVXUJE-UHFFFAOYSA-N 364.854 3.522 0 40 FHAB Cc1ccc(OCC(=O)Nc2ccccc2C(=O)NCC(C)C)c(C)c1 69297717 RZWZIGMLEVJYMN-UHFFFAOYSA-N 354.450 3.707 0 40 FHAB COc1cc(N[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc(OC)c1 5689829 AMAFQFLILXHUNJ-SNVBAGLBSA-N 352.793 3.935 0 40 FHAB CN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(F)cc3)=NN12 4812066 VSQZJZUERLPDDV-IBGZPJMESA-N 351.425 3.791 0 40 FHAB COc1ccccc1-n1c(SC[C@H]2CCCO2)nnc1N1CCCCC1 6994225 SNBQUMJFRKBZHS-OAHLLOKOSA-N 374.510 3.537 0 40 FHAB CC(C)CCNC(=O)[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 9576461 NRRVWFWCIOWVTF-GOSISDBHSA-N 369.509 3.501 0 40 FHAB C[C@H](NCc1cnc([C@H]2CCCO2)s1)c1ccc(N2CCCC2=O)cc1 89904802 ULYWQBGCLZCOHM-KBXCAEBGSA-N 371.506 3.972 0 40 FHAB CC[C@H](Oc1cccc(C)c1)C(=O)N(C)Cc1ccc(OC)c(OC)c1 20110990 ZEVYWGCFGOLWOG-SFHVURJKSA-N 357.450 3.828 0 40 FHAB Cc1nc(N(C)[C@H](C)C[S@](C)=O)c2c(-c3ccccc3)csc2n1 96011440 GQLOOFBFBLBOJH-OIRASMEMSA-N 359.520 3.870 0 40 FHAB CS[C@@H](CNC(=O)CCc1nc(-c2cccs2)no1)C(C)(C)C 96009735 DBTWQEKLCMPEFR-LBPRGKRZSA-N 353.513 3.625 0 40 FHAB CCc1cccc(CC)c1NC(=O)CN1C(=O)[C@H](C)Oc2ccccc21 19982270 CIJKLIDVQZYWQF-AWEZNQCLSA-N 352.434 3.564 0 40 FHAB Cc1noc(C)c1CC(=O)O[C@H](C(=O)NC1CCCCCCC1)C(C)C 95349048 CUJMYDCBIFYIIU-IBGZPJMESA-N 364.486 3.631 0 40 FHAB CCOc1ccc(NC(=O)[C@H](C)N2CC=C(c3cccnc3)CC2)cc1 95454756 XDXWHPQWFFDPIC-INIZCTEOSA-N 351.450 3.597 0 40 FHAB O=C(Nc1nc(-c2ccc[nH]2)cs1)c1noc(-c2cccc(F)c2)n1 73304821 XKYDSOZNLDAXHU-UHFFFAOYSA-N 355.354 3.580 0 40 FHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@H]2C[C@@H]2C2CCCCC2)c1 95939132 DZHCMHHFHPDQNA-YLJYHZDGSA-N 371.481 3.550 0 40 FHAB CCN(c1ccc(C(=O)N[C@H](C)c2ccc(C)cc2)cc1)S(=O)(=O)CC 113971455 DHIGLKGNQTWDAM-MRXNPFEDSA-N 374.506 3.662 0 40 FHAB CCCN1C(=O)N/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O 409250634 XRNSXJNBSGXTKR-CPNJWEJPSA-N 359.429 3.992 0 40 FHAB CS(=O)(=O)c1ccc(CSc2ncc(-c3ccc(F)cc3)o2)o1 1559354637 YEBMNKINBVNLDW-UHFFFAOYSA-N 353.396 3.770 0 40 FHAB CC1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc2ccccc2c1 71979880 AJULDQQYOBKKAN-UARVQCNDSA-N 353.418 3.672 0 40 FHAB O=C(Nc1c(F)cccc1F)c1cc(=O)c(OCc2ccccc2)co1 36360436 JLVKGUZOJGWMDX-UHFFFAOYSA-N 357.312 3.749 0 40 FHAB CCOc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccc(Cl)cc2Cl)cc1 72228109 XNTCZJARRKATKW-CVEARBPZSA-N 351.233 3.807 0 40 FHAB COC(=O)c1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc1 211511401 HXVKTVASUHUURI-GDNBJRDFSA-N 355.371 3.832 0 40 FHAB COc1cc2c(cc1OC)CN(CC(=O)c1c(C)[nH]c3ccccc13)CC2 36099418 FNEZAOSMZKOOPP-UHFFFAOYSA-N 364.445 3.735 0 40 FHAB biogenic Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN2C(=O)c2ccccc2)n1 72354611 FRFYMMYVECHYRK-SFHVURJKSA-N 362.408 3.842 0 40 FHAB CC(C)Oc1cccc(CNC(=S)Nc2ccc3c(c2)OCCO3)c1 44239678 WSISWCHPCQYQBY-UHFFFAOYSA-N 358.463 3.732 0 40 FHAB COc1cc(CNC(=O)COc2ccccc2Cl)ccc1OC(C)C 218847119 DVGWDKMTWQURFI-UHFFFAOYSA-N 363.841 3.831 0 40 FHAB CC[C@@H](C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1)c1ccccc1 40089804 BAOVIIWMMHTYKG-JOCHJYFZSA-N 365.521 3.956 0 40 FHAB Cc1cccc(OCCNC(=O)C2(c3ccccc3)CCOCC2)c1C 223968599 HIIIHTVEIWNRQP-UHFFFAOYSA-N 353.462 3.547 0 40 FHAB CCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCCC[C@H]1C 226277272 FZXKCXNNYZKFSO-LLVKDONJSA-N 358.360 3.743 0 40 FHAB CCCNC(=O)c1cc(N)ccc1N1CCC(Cc2ccccc2)CC1 225485959 DVFCVVRHFVDKIF-UHFFFAOYSA-N 351.494 3.868 0 40 FHAB Cc1ccc([C@H](O)CNC(=O)c2c(-c3ccccc3Cl)noc2C)o1 49026841 UOYHPNHOIXSJHD-CQSZACIVSA-N 360.797 3.668 0 40 FHAB O=C(c1cc(-c2ccccc2)on1)N(CC(F)(F)F)C1CCOCC1 75166666 JHLZKARONWUXLA-UHFFFAOYSA-N 354.328 3.525 0 40 FHAB COC(=O)c1cccc(NC(=S)N[C@H]2CCCc3cc(OC)ccc32)c1 225704355 RPZIJQFNFCLVQK-SFHVURJKSA-N 370.474 3.846 0 40 FHAB CCOc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1Cl 225068694 UXWDNXUAPSTXKN-UHFFFAOYSA-N 362.838 3.904 0 40 FHAB CSc1ccc([C@@H](CC(=O)O)NC(=S)Nc2cc(C)ccn2)cc1 225227808 WSPIIZHGCUGRSC-CQSZACIVSA-N 361.492 3.614 0 40 FHAB COc1ccc2[nH]c(C(=O)N3CCO[C@H](c4ccccc4)C3)c(C)c2c1 96118802 LNPZKVHCASTHDH-IBGZPJMESA-N 350.418 3.699 0 40 FHAB COc1ccc(CCc2nc3nccc(-c4ccsc4)n3n2)cc1OC 95473778 YGOAOYSSWLSHLF-UHFFFAOYSA-N 366.446 3.655 0 40 FHAB O=C(NCc1cnc([C@H]2CCCCO2)nc1)c1cc2ccccc2s1 257341763 ZLXBGGQJJWGSRA-OAHLLOKOSA-N 353.447 3.863 0 40 FHAB COc1ccc2c(c1)[C@H](C(=O)N[C@H](CC(=O)O)c1cccs1)CCC2 656231781 DVBMGTGAJSRKRI-GDBMZVCRSA-N 359.447 3.509 0 40 FHAB COC[C@H]1CN(Cc2ccccn2)CC12CCN(CC1CCCCC1)CC2 585103189 MOCXANFNXDEEEE-OAQYLSRUSA-N 371.569 3.822 0 40 FHAB O=C(C1CC(F)(F)C1)N1CC[C@@H](OCC2CC2)[C@H](Cc2ccccc2)C1 585113523 YBPSNERDVPOXEB-IEBWSBKVSA-N 363.448 3.918 0 40 FHAB CN(CCc1ccccc1)c1ncc(C(=O)O)c(CCc2ccccc2)n1 585265908 UNFKVPQRLGSKAP-UHFFFAOYSA-N 361.445 3.639 0 40 FHAB O=C(c1ccc(C2SCCS2)cc1)N1CCN(Cc2ccco2)CC1 57347254 MDJRYVAAWVDVMY-UHFFFAOYSA-N 374.531 3.716 0 40 FHAB CCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccoc1C 5979158 ZHXWKHVOODLZHL-UHFFFAOYSA-N 356.451 3.987 0 40 FHAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1Cl 11342836 CCJSUSPHCAYVRO-HNNXBMFYSA-N 374.868 3.891 0 40 FHAB C[C@H](Cn1c(=O)oc2ccccc21)NC(=O)CC12CC3CC(CC(C3)C1)C2 12142003 YKYLAGQEUDVGFA-XSXQVXRUSA-N 368.477 3.706 0 40 FHAB Cc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)on1 12145567 MKZDXMQCIOPLOV-MRXNPFEDSA-N 368.412 3.751 0 40 FHAB CC1(C)Cc2nc(-c3cccnc3)ncc2[C@@H](NC(=O)C2CCCC2)C1 12221078 AEBQGZNJETYJTD-SFHVURJKSA-N 350.466 3.859 0 40 FHAB Cn1nc(C2CC2)c2c(C(=O)O)cc(-c3ccc(OC(F)F)cc3)nc21 12396166 AEPUXWAFQYIKOK-UHFFFAOYSA-N 359.332 3.812 0 40 FHAB COc1ccc2nc(NC(=O)CCc3ccc(N(C)C)cc3)sc2c1 12527378 JULGFKJQCBKHII-UHFFFAOYSA-N 355.463 3.942 0 40 FHAB CC[C@H](C(=O)Nc1cccc(Cl)c1)N(c1ccccc1)S(C)(=O)=O 13711039 RLNSGDLOCBUYRC-MRXNPFEDSA-N 366.870 3.523 0 40 FHAB Cc1ccccc1NCC(=O)Nc1ccc(I)cc1 15288523 PAALGFMPANRNPL-UHFFFAOYSA-N 366.202 3.650 0 40 FHAB O=C(NC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)c1ccccc1 15935945 KKQUJKMHQFHYAL-UHFFFAOYSA-N 357.841 3.766 0 40 FHAB CN1CCCC[C@H]1c1ncc2c(n1)CCN(CCCc1ccccc1)C2 19588986 MZXITCUZGLDICB-NRFANRHFSA-N 350.510 3.624 0 40 FHAB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1 8107613 CLHYTGOBMFHYTD-LICLKQGHSA-N 355.415 3.940 0 40 FHAB COc1ccc(COC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1F 2663658 BKAVNPNQWXNCCT-UHFFFAOYSA-N 354.381 3.994 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(-c2ccc(O)cc2)cc1 4220913 GWNXCMRSLSPXQR-FOIQADDNSA-N 367.445 3.911 0 40 FHAB O=C(OCC(=O)N(c1ccccc1)C1CCCCC1)c1ccc(CO)cc1 5106820 OHDDPZMVJSEPJV-UHFFFAOYSA-N 367.445 3.702 0 40 FHAB CCOC(=O)C1CCN(c2ncnc3sc4c(c23)CC[C@@H](C)C4)CC1 9377400 LUWNJOVPJWBZGU-GFCCVEGCSA-N 359.495 3.596 0 40 FHAB O=c1c2ccc(F)cc2ncn1CC1CCN(Cc2ccccc2F)CC1 1888962028 UJZLGSWXROTPJX-UHFFFAOYSA-N 369.415 3.587 0 40 FHAB O=C(c1cc(C2CC2)on1)N1CCC(COc2ccncc2Cl)CC1 1848730210 WUGCCFVAVHQJLP-UHFFFAOYSA-N 361.829 3.532 0 40 FHAB NC(=O)c1cc(Cl)ccc1OCc1ccc(F)cc1Br 11116236 FGCXQXKVJFYDNX-UHFFFAOYSA-N 358.594 3.920 0 40 FHAB COc1ccc(NC(=O)Cc2cccc(C)c2)cc1N1CCCCC1=O 5441934 GPWINBWPCDSLKO-UHFFFAOYSA-N 352.434 3.702 0 40 FHAB CCc1c(C)nc(SCc2nc(-c3ccc(OC)cc3)oc2C)[nH]c1=O 23126203 MSFWQTQPHVJHOB-UHFFFAOYSA-N 371.462 3.905 0 40 FHAB Cc1nc(C)c(-c2nnc(NC(=O)CSc3ccc(F)cc3)o2)s1 49029328 BCBOFXLTCFOVJS-UHFFFAOYSA-N 364.427 3.680 0 40 FHAB O=C(N[C@@H]1CCN(Cc2ccsc2)C1)NC12CC3CC(CC(C3)C1)C2 606440569 BSFZTNJRNSZLHN-ZCYBBYNQSA-N 359.539 3.590 0 40 FHAB CCCCOc1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 4194677 RCQCLWCQXJRLML-UHFFFAOYSA-N 352.390 3.963 0 40 FHAB Oc1ccc(N2CCN(Cc3ccc(F)cc3Br)CC2)cc1 22327666 QNXOGSVPCKCPBG-UHFFFAOYSA-N 365.246 3.616 0 40 FHAB CC(C)(C(=O)N[C@@H]1CCOc2ccc(F)cc21)c1ccc2c(c1)OCCO2 68165096 WIEZZCOPLZAKOA-MRXNPFEDSA-N 371.408 3.515 0 40 FHAB O=S(=O)(NCCSCc1ccccc1F)c1ccc(Cl)cc1 7688825 NHRZLVNQZLOIEW-UHFFFAOYSA-N 359.875 3.691 0 40 FHAB O=C(CSc1ccccc1F)NC[C@H](c1ccccc1)N1CCCC1 7652038 APBWPQTXLNIEIN-GOSISDBHSA-N 358.482 3.871 0 40 FHAB CNC(=O)c1ccc(CN(C)C(=O)c2ccc(SC(F)F)cc2)cc1 11174171 FASGTLYMWWBSAA-UHFFFAOYSA-N 364.417 3.633 0 40 FHAB CC[C@H](C)c1ccc(S(=O)(=O)N[C@H](CC(=O)O)c2ccccc2)cc1 940641 SHUXNVFVAPHKMG-KBXCAEBGSA-N 361.463 3.694 0 40 FHAB CCc1ccc(S(=O)(=O)Nc2cc(Cl)c3oc(=O)sc3c2)cc1 2493420 OQVHTRLEORFROO-UHFFFAOYSA-N 369.851 3.871 0 40 FHAB COc1ccc(NC(=O)NC2(C(=O)N3CCCCC3)CCCCC2)cc1 1344865 FLBHVXYMPXFHTP-UHFFFAOYSA-N 359.470 3.532 0 40 FHAB Cc1cc(C)c2cc(CN(C(=O)C(F)(F)F)C3CCCC3)c(=O)[nH]c2c1 1359677 SUWRZECPJFYOAH-UHFFFAOYSA-N 366.383 3.978 0 40 FHAB CC[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NC1CCCCC1 1381337 CQEIHRXFNLXVIZ-SECBINFHSA-N 365.282 3.834 0 40 FHAB CCN(CC)Cc1cccc(NC(=O)CCCNC(=O)c2cccs2)c1 31532005 ZRLGXHXSYUTNGQ-UHFFFAOYSA-N 373.522 3.739 0 40 FHAB O=C(COC(=O)c1ccccc1F)Nc1ccc(Br)cc1F 3394477 PSAQOSBIUKGWGF-UHFFFAOYSA-N 370.149 3.523 0 40 FHAB COc1ccc(OCC(=O)N(Cc2ccc3cc[nH]c3c2)C2CC2)cc1 32093433 BTCBDMVFYTYLSV-UHFFFAOYSA-N 350.418 3.747 0 40 FHAB C[C@@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)N[C@@H]1CCCC[C@H]1C 4897831 FGXOEPBVVWLKSN-YRGRVCCFSA-N 369.494 3.682 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)/C=C/c1ccc(N2CCCC2=O)cc1 11515462 XESGYLDVURIGER-UKYUDJEDSA-N 364.445 3.713 0 40 FHAB CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2cc(C)ccc2C)c1 6680435 VDOGIOVXDPKFKS-UHFFFAOYSA-N 366.508 3.648 0 40 FHAB CCCn1c(CCc2ccccc2)nnc1SCC(=O)N1CCCCC1 6947932 ZSXYVXBQHMOCMP-UHFFFAOYSA-N 372.538 3.578 0 40 FHAB Cc1nn(-c2ncccn2)c2c1[C@@H](C(=O)c1ccc(Cl)cc1)CC(O)=N2 20732105 WVZDJOKRCNEJED-ZDUSSCGKSA-N 367.796 3.582 0 40 FHAB C[C@@]12C[C@@H](NC(=O)N1c1ccc(C(=O)O)cc1)c1cc(Cl)ccc1O2 45918761 JEEOBKDXAZSVSL-RDTXWAMCSA-N 358.781 3.808 0 40 FHAB Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H]1CCOc2ccccc21 29492185 HHAXNXRCUSEESA-CQSZACIVSA-N 354.431 3.894 0 40 FHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1cccc(Cl)c1C 8279022 RBFYAAMWUHOOFU-UHFFFAOYSA-N 364.854 3.792 0 40 FHAB Cc1ccc(Oc2cc(CNc3ncnc4c3cnn4C)ccn2)cc1C 52315334 XWVIKHPFYDQZOI-UHFFFAOYSA-N 360.421 3.780 0 40 FHAB COc1ccccc1CN(C)C(=O)NCCSCc1ccccc1F 32802016 BTDQIKVVADZVLV-UHFFFAOYSA-N 362.470 3.909 0 40 FHAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 32817119 OUFJKMXOMOTRGW-UHFFFAOYSA-N 357.475 3.893 0 40 FHAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1 2643412 FIKZEBWWGIIBMQ-UHFFFAOYSA-N 355.415 3.817 0 40 FHAB COc1ccc([C@H](CNC(=N)Nc2ccccc2)N2CCCCC2)cc1 57752123 FAFFUVADPHRESY-FQEVSTJZSA-N 352.482 3.859 0 40 FHAB O=C(Nc1nccs1)[C@@H]1CCCN(C(=O)Nc2ccccc2Cl)C1 56529999 QUYPLECSFNAQQF-LLVKDONJSA-N 364.858 3.679 0 40 FHAB CCN(CC)CCNC(=O)c1cccc(NC(=O)c2ccc(C)cc2C)c1 32933574 VFRNHVGYNHGIJK-UHFFFAOYSA-N 367.493 3.627 0 40 FHAB CCn1c(C)cc(C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)c1C 60535558 NCLCYYSNNJIHFI-UHFFFAOYSA-N 353.466 3.922 0 40 FHAB COc1ccc2nc(C(=O)NCc3coc(-c4cccs4)n3)ccc2c1 24874006 PVLDWJCHLNDOBU-UHFFFAOYSA-N 365.414 3.890 0 40 FHAB COc1ccc(-c2noc(CCCC(=O)Nc3ccc(Cl)cn3)n2)cc1 33158726 ISXYNCCLTDEJLM-UHFFFAOYSA-N 372.812 3.755 0 40 FHAB CC(=O)Nc1nnc(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)s1 679288 JNXLYHSNKAXZND-NSHDSACASA-N 364.496 3.541 0 40 FHAB COc1c(Cl)cc(C(=O)NCc2ccc(C(=O)O)cc2)cc1Cl 20142534 XZRDJRYUBRREHW-UHFFFAOYSA-N 354.189 3.630 0 40 FHAB CSc1nc2cc3c(cc2n1C(=O)c1ccc(Cl)cc1)OCCO3 995531 DXHWKNHPYPWZNF-UHFFFAOYSA-N 360.822 3.871 0 40 FHAB CCc1ccc([C@H](NC(=O)CCCn2cncn2)c2cccs2)cc1 54710602 QOVTWTLYFGJOBL-IBGZPJMESA-N 354.479 3.588 0 40 FHAB Cc1nc(-c2ncccn2)sc1C(=O)NCCc1cccc(Cl)c1 55011046 NDIMUOHUEVXILZ-UHFFFAOYSA-N 358.854 3.534 0 40 FHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 24597261 XJSPYOGDFPYAQZ-QZTJIDSGSA-N 354.425 3.643 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 28192722 LTCTUPGEEAKQRS-LLVKDONJSA-N 369.364 3.572 0 40 FHAB COc1cc(CCC(=O)N[C@H](c2ccccc2)C2CC2)cc(OC)c1OC 24026383 JKIQYVZIEOOVJV-OAQYLSRUSA-N 369.461 3.913 0 40 FHAB COc1ccc(CCNC(=O)N[C@H](C)c2ccccc2Cl)cc1OC 24968421 FXXFFHQINZDABZ-CYBMUJFWSA-N 362.857 3.960 0 40 FHAB S=C(NCc1ccccc1)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1 100423230 PNNGJEOPMYKQOY-SFTDATJTSA-N 365.546 3.846 0 40 FHAB CN(Cc1cccc(Cl)c1Cl)C(=O)[C@H]1Cc2ccccc2C(=O)O1 24763330 LOOOIVUYXIGKGT-OAHLLOKOSA-N 364.228 3.734 0 40 FHAB Cc1cc(C(=O)OCC(=O)Nc2nc(-c3ccccc3)cs2)c(C)o1 3254712 KINLXTKPVIPDBF-UHFFFAOYSA-N 356.403 3.815 0 40 FHAB aggregator Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3C)n2)cc1C 57427530 HRLXUISIAUUPBC-UHFFFAOYSA-N 365.408 3.613 0 40 FHAB Cc1cccc(NC(=O)c2cc3cc(Br)ccc3oc2=N)n1 57523774 PIIPCOAZSKTMIX-UHFFFAOYSA-N 358.195 3.630 0 40 FHAB COc1ccc2c(CC(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)coc2c1 7986970 VETPIGBGBHCJKM-ZDUSSCGKSA-N 367.401 3.633 0 40 FHAB COc1ccc2cc(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)ccc2c1 12616488 FURMLAZCZDNNQI-GFCCVEGCSA-N 362.385 3.820 0 40 FHAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NCCc1cccc(O)c1 58190635 AVWRTJDOEGLXNF-UHFFFAOYSA-N 372.371 3.617 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@H](C)CC[C@H]1CCCO1 58178258 RTIPWCLUYSLOHI-AUUYWEPGSA-N 373.472 3.635 0 40 FHAB O=C(Nc1cccnc1N1CCCC1)N[C@@H](c1ccccc1)c1ccccn1 48172224 JGGNBTPJPJAVFN-FQEVSTJZSA-N 373.460 3.988 0 40 FHAB COC[C@H](C)n1c(SCc2nc(C)c(C)o2)nc2ccccc2c1=O 58223041 QNRIGWXSMNKKFM-NSHDSACASA-N 359.451 3.501 0 40 FHAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1C(F)(F)F 28727466 HJZRZNPNQQBYEM-GFCCVEGCSA-N 372.412 3.546 0 40 FHAB O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1cccs1 3337337 SEYQHFZEMRJDJG-UHFFFAOYSA-N 366.398 3.981 0 40 FHAB Cc1ccc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1-n1cccc1 10433097 MUTCHFAAUYHVIN-QGZVFWFLSA-N 371.444 3.857 0 40 FHAB CCCNC(=O)CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O 2253343 WDIIOJISCWUZLF-UHFFFAOYSA-N 369.852 3.633 0 40 FHAB COC(=O)CCCNC(=O)c1cc(-c2cccs2)nc2ccccc12 12798385 KJIHXJDJGKXSSJ-UHFFFAOYSA-N 354.431 3.646 0 40 FHAB CCN(CC)C(=S)SCC(=O)Nc1nc2c(s1)C[C@@H](C)CC2 17181045 QTEUFGORQRHFRI-JTQLQIEISA-N 357.570 3.566 0 40 FHAB C[C@H]1CCc2c(sc(NC(=O)c3cnccn3)c2C(=O)c2ccco2)C1 48345205 PGZIZCCQOYUZDF-NSHDSACASA-N 367.430 3.739 0 40 FHAB CC1CCN(c2nnc(SCc3cccnc3)n2Cc2ccco2)CC1 48324183 FMCRVWMMKPLOIY-UHFFFAOYSA-N 369.494 3.843 0 40 FHAB C[C@@H](NC(=O)CN(C)Cc1ccccc1Br)c1cccs1 12886929 SMNKGPCFTJFSAX-GFCCVEGCSA-N 367.312 3.820 0 40 FHAB CN1CCN(C(=O)CCc2c[nH]c3ccccc23)c2nc3ccccc3nc21 12818498 XPFBEZOHVSSRJD-UHFFFAOYSA-N 371.444 3.527 0 40 FHAB CCCCc1ccc2nc(NC(=O)c3nc4nccc(C)n4n3)sc2c1 12926958 IMNNAXNILWAWFA-UHFFFAOYSA-N 366.450 3.637 0 40 FHAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cc(Cl)ccc1F 12981663 AGLFWUVQYNRZIM-UHFFFAOYSA-N 364.804 3.589 0 40 FHAB O=C(NCCc1ccc2c(c1)OCCO2)c1cccc(Cl)c1Cl 12974128 WRICTFICBJBTRX-UHFFFAOYSA-N 352.217 3.737 0 40 FHAB O=C(Nc1nc2ccccc2s1)[C@@H]1CCCN1C(=O)c1ccccc1 12934288 RYGGTSLALPYEFQ-HNNXBMFYSA-N 351.431 3.540 0 40 FHAB C[C@H](NC(=O)COC(=O)c1csc2c1CCCC2)c1ccc(F)cc1 3548753 OCVGPUAPRBONJP-LBPRGKRZSA-N 361.438 3.800 0 40 FHAB CCOc1ccc(C(=O)N[C@H](C(=O)NCC2CCCCC2)C(C)C)cc1 3549827 FYIQJZUOUKMPLW-IBGZPJMESA-N 360.498 3.536 0 40 FHAB Cc1cccc(N2CCN(C(=O)Nc3cccc(-n4cccn4)c3)CC2)c1 48555603 NCKDTBKOBBRIOE-UHFFFAOYSA-N 361.449 3.535 0 40 FHAB CCOC(=O)c1c(NC(=O)c2cn3c(C)cccc3n2)sc(C)c1C 69097417 YKLJVGSBBYRFAR-UHFFFAOYSA-N 357.435 3.750 0 40 FHAB CCCc1ccccc1NC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1 24504593 YYGMUAUZLUZKDV-UHFFFAOYSA-N 372.387 3.989 0 40 FHAB O=C(/C=C/c1cccc(Cl)c1Cl)Nc1ccnn1C[C@H]1CCOC1 70038886 DPZIJLNEGMUWTK-ZYOFXKKJSA-N 366.248 3.878 0 40 FHAB CS(=O)(=O)Nc1cccc(C(=O)N2CC3(CCCC3)c3ccccc32)c1 81811603 WFRSUBCFYSFBCW-UHFFFAOYSA-N 370.474 3.530 0 40 FHAB Fc1ccc(F)c(-c2nn3c(-c4ccc5c(c4)OCO5)nnc3s2)c1 13733219 KXLWGGFRNRODGP-UHFFFAOYSA-N 358.329 3.527 0 40 FHAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccccc2O)cc1 14015699 PXDUKWQYUMVXHS-UHFFFAOYSA-N 354.435 3.651 0 40 FHAB CC(C)c1ccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 5439270 BBEIUJFAYMUOPS-UHFFFAOYSA-N 372.490 3.992 0 40 FHAB Cc1ccc(OCC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1C 6589715 LFVJEBWSERAAFJ-JOCHJYFZSA-N 369.461 3.967 0 40 FHAB Clc1ccc(-n2nnnc2[C@@H](NCc2ccco2)c2ccccc2)cc1 4677388 QTCDVFYCTCAVND-SFHVURJKSA-N 365.824 3.788 0 40 FHAB CC(=O)Nc1ccccc1OS(=O)(=O)c1cc(Cl)ccc1Cl 6627633 GBSCFCZOZIMMFT-UHFFFAOYSA-N 360.218 3.720 0 40 FHAB CCN(C(=O)Cn1c(C)csc1=O)c1nc2cc(Cl)ccc2s1 14635008 BPNXVODHDMUOKD-UHFFFAOYSA-N 367.883 3.534 0 40 FHAB COc1ccc(-c2nc3c(s2)CN(C(=O)C(C)(C)C)CC3)cc1OC 6759668 YVRQAUZHNQOILE-UHFFFAOYSA-N 360.479 3.758 0 40 FHAB Cc1cc(C)c(NC(=O)Cn2nc(-c3cccnc3)oc2=S)c(C)c1 8548860 YYMBVHLAFJVTGP-UHFFFAOYSA-N 354.435 3.832 0 40 FHAB CCCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1OC 8579600 UWIMDDHXRNGAQA-UHFFFAOYSA-N 350.418 3.870 0 40 FHAB COc1ccc2c(C)cc3nnc(SCC(=O)OC(C)(C)C)n3c2c1 6831431 VPLSECMWXDNJOG-UHFFFAOYSA-N 359.451 3.633 0 40 FHAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)CCSc1ccccc1 5991125 RWJJCFQHTKBMKG-CQSZACIVSA-N 359.447 3.748 0 40 FHAB COc1ccc2nc(SCc3nc4ccc(Cl)cc4c(=O)[nH]3)[nH]c2c1 7096129 RDFSWOILOWNIRY-UHFFFAOYSA-N 372.837 3.754 0 40 FHAB CC(=O)Nc1ccc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1 7113198 XGXRNQLTRCUDRP-MRXNPFEDSA-N 363.339 3.774 0 40 FHAB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1cccc(C(F)(F)F)c1 7552450 OAYYZRUFPCHMMK-HNNXBMFYSA-N 368.355 3.771 0 40 FHAB COc1ccc(OC)c(COC(=O)[C@@H]2COc3ccc(Cl)cc3C2)c1 7550340 FABCBIJCWRBCBF-AWEZNQCLSA-N 362.809 3.652 0 40 FHAB CCCc1cc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)sc1C 8735092 SFGUNNPGWUDAAA-UHFFFAOYSA-N 355.463 3.518 0 40 FHAB COc1ccc(C2(C(=O)Nc3ccc4cc[nH]c4c3)CCOCC2)cc1 70666370 SIZFRAIGERIETG-UHFFFAOYSA-N 350.418 3.863 0 40 FHAB biogenic CC(C)[C@@H](C)NC(=O)C1CCN(Cc2cccc3c2OC(C)(C)C3)CC1 92754747 IDQKLLICICINKS-MRXNPFEDSA-N 358.526 3.773 0 40 FHAB CSCC[C@H](NC(=O)c1ccc2c(c1)OCO2)c1nc2ccccc2[nH]1 9155901 CNZOZZAQEAQDKG-HNNXBMFYSA-N 369.446 3.516 0 40 FHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1ccccc1Cl 9451821 BPLFGQPOHPTSAE-CQSZACIVSA-N 371.868 3.536 0 40 FHAB COc1ccc(Cn2c(N)c(C(=O)N3CCCCC3)sc2=S)cc1 94992847 MVFIWRAOCCEBJY-UHFFFAOYSA-N 363.508 3.544 0 40 FHAB O=C(CSCc1ccc(Cl)cc1Cl)NCC1(CCO)CCC1 95429400 PUTOSKRQFZOBQD-UHFFFAOYSA-N 362.322 3.896 0 40 FHAB CN(C)C(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704834 UAVWGGZCLKDMRM-LJQANCHMSA-N 374.893 3.816 0 40 FHAB Cc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1-c1ccc(CO)o1 20140723 RDJFGCVIDJHOAG-UHFFFAOYSA-N 351.358 3.728 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408706611 ANGOXXUJISTDPK-LAUBAEHRSA-N 364.489 3.630 0 40 FHAB Cc1nn(CCC(=O)N[C@@H]2[C@@H]3CCC[C@H]3[C@@H]2c2ccccc2)c(C)c1C 409412861 UNYRHBODQVLFGT-KRXUUXHPSA-N 351.494 3.897 0 40 FHAB CCc1cccc(C)c1NC(=O)CCCN(C)S(=O)(=O)c1ccccc1 219716194 NUFZDEFDDXVKRW-UHFFFAOYSA-N 374.506 3.597 0 40 FHAB Cc1cccc(CN2CCC(C(=O)NCCSCc3ccco3)CC2)c1 39765616 KJBQRZBJPUALRN-UHFFFAOYSA-N 372.534 3.850 0 40 FHAB COc1ccc(OC)c(NC(=O)c2ccc(Cn3ccnc3C)cc2)c1 38834800 GOSXNFOABKJSAK-UHFFFAOYSA-N 351.406 3.509 0 40 FHAB O=C(CNc1ccc(OC(F)(F)F)cc1)NCc1ccccc1Cl 32819310 WKASMSDIGKUDJM-UHFFFAOYSA-N 358.747 3.967 0 40 FHAB O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(C(=O)N2CCCC2)cc1 32906978 KRAFRVQZJQCCQX-UHFFFAOYSA-N 368.408 3.663 0 40 FHAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCCCn1ccnc1 30862336 HMDAOFDYYQWHLM-UHFFFAOYSA-N 358.294 3.630 0 40 FHAB CCOC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCCC3)cc2)C1 73044303 PAKWKGXZJREPSC-LJQANCHMSA-N 359.514 3.635 0 40 FHAB CC(C)Oc1ccccc1CS(=O)(=O)c1ccc(C(F)(F)F)cn1 77605038 SMHUZTBJRIFVCY-UHFFFAOYSA-N 359.369 3.862 0 40 FHAB CCc1cccc(CC)c1NS(=O)(=O)c1cc(C(=O)OC)ccc1C 223836177 VYCCAWLDCINTPL-UHFFFAOYSA-N 361.463 3.707 0 40 FHAB COc1cccc(NC(=O)[C@H](C)Oc2nn(-c3ccccc3)cc2Cl)c1 227152666 OTXJKTQNTWFTPN-ZDUSSCGKSA-N 371.824 3.940 0 40 FHAB CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1ccco1 222835747 LNRUIPUHOPLAAP-AWEZNQCLSA-N 362.857 3.623 0 40 FHAB Cc1ccc(-n2nc(C)cc2NC(=O)c2ccc3c(c2)OCCCO3)cc1 40023546 QHQGOIVGRYGICI-UHFFFAOYSA-N 363.417 3.903 0 40 FHAB COc1ccc(NC(=O)c2ccc(OC)c(COC(C)C)c2)c(OC)c1 224426962 SJIIZPQEQARVOV-UHFFFAOYSA-N 359.422 3.890 0 40 FHAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N1CCN(c2ccc(F)cc2)CC1 222951147 KMDBQROFHDETFY-FQEVSTJZSA-N 370.468 3.949 0 40 FHAB Cc1ccccc1OCC(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225129069 QMZUWDOGZQIALA-UHFFFAOYSA-N 356.447 3.970 0 40 FHAB CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1O 222576617 OIWNYCZLOPZXEH-UYHISHBKSA-N 355.463 3.775 0 40 FHAB CC1(C)C(O)=Nc2ccc(C(=O)N3CCCCC[C@@H]3c3ncon3)cc21 329935920 CVRJANJRJSXEIH-OAHLLOKOSA-N 354.410 3.706 0 40 FHAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1C 225071211 KRGJHUJIPWZTGT-IBGZPJMESA-N 366.505 3.524 0 40 FHAB O=C(Nc1cccc(-c2cnco2)c1)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F 527483332 KCLLUDDBTSQPSV-UXOAXIEHSA-N 352.312 3.636 0 40 FHAB CCOC(=O)c1cc(NC(=O)COc2cccc(OC)c2)ccc1Cl 222792830 FIDYXGQFVYAIQM-UHFFFAOYSA-N 363.797 3.543 0 40 FHAB O=C(NCC[C@@H](O)c1cccc2ccccc12)Nc1ccc2c(c1)OCO2 77119047 YPTNNTNIGJSJKB-GOSISDBHSA-N 364.401 3.814 0 40 FHAB COc1ccccc1N1C(=O)C[C@H](Nc2ccc(Cl)c(Cl)c2)C1=O 96301216 DTWGZAXGTWPSRF-ZDUSSCGKSA-N 365.216 3.746 0 40 FHAB Cc1ccc(CN[C@@H]2CC3(CCN(CCO)CC3)c3ccccc32)s1 96241500 GFXBLAITXAFFRL-HXUWFJFHSA-N 356.535 3.617 0 40 FHAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@H](C)c1ccc(F)c(F)c1 97656369 YWPSUPQDTWZJNP-VLIAUNLRSA-N 374.431 3.526 0 40 FHAB C[C@@H]1CN(C(=O)Nc2cccnc2-c2ccccc2)C[C@@]2(CCO[C@@H]2C)O1 333371523 ZOSBJJJRRIMVBU-WHSLLNHNSA-N 367.449 3.549 0 40 FHAB Cc1nn(C)cc1CN1CCC(c2cccc(Nc3ccccn3)n2)CC1 257307430 SYPDQNCUNSQIIO-UHFFFAOYSA-N 362.481 3.642 0 40 FHAB COc1ccc(C2(C(=O)N3CC[C@H](OC(F)F)C3)CC3(CCC3)C2)cc1 585082097 CVKQXGIOBGMSRP-INIZCTEOSA-N 365.420 3.737 0 40 FHAB O=C1N(CC2CC2)[C@H]2CC[C@@H](c3cnccn3)[C@H]2N1c1ccc(F)cc1 257212117 CCAFQFWPHNBVPN-YTQUADARSA-N 352.413 3.583 0 40 FHAB COc1cccc(Cc2cnc(C3(C)CCN(C(=O)C(C)C)CC3)o2)c1 257227413 FPDCPZPPGFLECB-UHFFFAOYSA-N 356.466 3.810 0 40 FHAB CCCn1cc(-c2cnc(CC3CCN(C(=O)C(C)(C)C)CC3)cn2)cn1 257277594 NYPLFTYOWZLSCC-UHFFFAOYSA-N 369.513 3.577 0 40 FHAB Cn1ccnc1SCC1CCN(C(=O)Cc2ccccc2Cl)CC1 90608203 JRRMEFUABQZTSU-UHFFFAOYSA-N 363.914 3.647 0 40 FHAB O[C@@]1(COc2ccc(F)c(Cl)c2)COCCN(C2CCCCCC2)C1 585283531 ROULMTVREKICDO-LJQANCHMSA-N 371.880 3.644 0 40 FHAB CSc1ccc(C(=O)N2Cc3ccccc3[C@@H](c3cnn(C)c3)C2)cc1 585410295 ZHIITBINQXANHN-HXUWFJFHSA-N 363.486 3.930 0 40 FHAB Cc1cc(N)nc(SCc2c(C)nn(Cc3ccccc3)c2Cl)n1 53563145 UNOVNGMXPPZXCO-UHFFFAOYSA-N 359.886 3.866 0 40 FHAB O=C(NCCc1ccc(Cl)cc1)Nc1ccccc1CN1CCCC1=O 65497803 PCCBJZXNPPVXFE-UHFFFAOYSA-N 371.868 3.827 0 40 FHAB CN(Cc1ccncc1)C(=O)Cn1c(-c2cccs2)cc2cccnc21 12148124 GEMLPDFNCVMLOG-UHFFFAOYSA-N 362.458 3.818 0 40 FHAB O=c1c2snc(-c3ccc(F)cc3)c2ncn1Cc1ccc(F)cc1 12182901 GRDXDXPWFCCPHZ-UHFFFAOYSA-N 355.369 3.847 0 40 FHAB CC(=O)c1ccc(N2CCN(C(=O)/C=C/c3ccc(C)cc3C)CC2)cc1 12562082 PRULDRZIVDMYBH-DHZHZOJOSA-N 362.473 3.868 0 40 FHAB O=C(NCc1ccccc1OC(F)F)c1ccc(NC(=O)C2CC2)cc1 12798654 QBXQYADNGAXTSV-UHFFFAOYSA-N 360.360 3.567 0 40 FHAB COc1ccc([C@@H]2[C@@H](NCc3cnc(C)nc3)[C@H]3CCCC[C@H]32)cc1OC 19287275 NVDHWQJIGBHMKE-KSCDAYEDSA-N 367.493 3.864 0 40 FHAB O=C(CCc1[nH]nc2c1CCCC2)NCC1(c2cccc(F)c2)CCCC1 19293641 HSTMTNJAZIPEQJ-UHFFFAOYSA-N 369.484 3.988 0 40 FHAB CC(=O)N(C)Cc1cc([C@H]2CC[C@H](CN(C)C3CCCC3)CC2)nn1C 100687651 WEMYLABRANWXSM-HDICACEKSA-N 360.546 3.547 0 40 FHAB COc1cc(/C=C/C(N)=O)ccc1OCc1cccc(Br)c1 226336916 CVNXWFQNAPAYKV-SOFGYWHQSA-N 362.223 3.535 0 40 FHAB C[C@H](CO)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 5528890 MUVIHHZJXBTCQE-CQSZACIVSA-N 368.458 3.598 0 40 FHAB Cc1ccc([C@H]2CCCN2C(=O)c2cc(-c3cn(C)nc3C)no2)cc1C 19213843 VKWNOZUIBYNORX-LJQANCHMSA-N 364.449 3.978 0 40 FHAB Cc1cnccc1OCC1CCN(C(=O)Cc2ccc(F)cc2F)CC1 1889160459 OXBDEJNVPGEYBV-UHFFFAOYSA-N 360.404 3.528 0 40 FHAB CC(C)n1nccc1NC(=O)[C@H](C)Nc1ccc(Br)cc1 32512477 XALNGCBDAKAEQJ-NSHDSACASA-N 351.248 3.666 0 40 FHAB FC(F)(F)c1cccnc1OC[C@@H]1CCCN(CC2CCOCC2)C1 1775995585 ALHPCCNBXHLIMJ-OAHLLOKOSA-N 358.404 3.618 0 40 FHAB O=C1O[C@@]2(COCCN(C3CCCCC3)C2)CN1c1ccc(Cl)cc1 2037838343 FCRDKDHDEXUVKC-LJQANCHMSA-N 364.873 3.700 0 40 FHAB CCn1c(NC(=O)CCC(=O)c2cc(C)ccc2OC)nc2ccccc21 21592720 DXZKTWMDROORAW-UHFFFAOYSA-N 365.433 3.975 0 40 FHAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N2CCC(C)CC2)cc1 27024867 GCUQSYHWZLYJKT-RGEXLXHISA-N 352.434 3.617 0 40 FHAB O=C(NC(=S)Nc1ccccc1C(=O)O)c1cc(Cl)ccc1Cl 5899439 WSCVJQXGRUZSMO-UHFFFAOYSA-N 369.229 3.818 0 40 FHAB COc1ccc([C@@H](O)CNC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 40097813 OXHWDXHPBRORQE-HNNXBMFYSA-N 354.328 3.569 0 40 FHAB CCN1CCC[C@@H](NC(=O)c2cccc(OCc3ccc(F)cc3)c2)C1 40157632 HBOWMRUGUMLAJO-LJQANCHMSA-N 356.441 3.619 0 40 FHAB Cc1nc(-c2ccccc2Cl)sc1C(=O)N[C@@H](CO)CC(C)C 30819556 WQIRWZDNDWRFGZ-GFCCVEGCSA-N 352.887 3.909 0 40 FHAB Cc1nc2ncccn2c1-c1csc(Nc2cccc(C(=O)O)c2)n1 853346 GVITWPARGHMYIB-UHFFFAOYSA-N 351.391 3.603 0 40 FHAB CCCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccoc1C 1361221 VZECUENWWSXHNL-UHFFFAOYSA-N 362.499 3.798 0 40 FHAB O=C(O)c1cccc(NC(=O)c2cc(Cl)c(Cl)cc2C(=O)O)c1 3065163 MYBWCANRXHYEJM-UHFFFAOYSA-N 354.145 3.642 0 40 FHAB CCOc1ccc(NC(=O)CNc2ccccc2C(C)=O)cc1OCC 3441321 VSVZOANQUNSTTP-UHFFFAOYSA-N 356.422 3.737 0 40 FHAB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccccc2)N3)C1 4118877 QGDXDCDCMOGGIM-OAHLLOKOSA-N 357.435 3.692 0 40 FHAB COc1cccc(NC(=O)[C@@H](C)OC(=O)Cc2c(F)cccc2Cl)c1 7107890 LMMLYVTVYDASBU-LLVKDONJSA-N 365.788 3.601 0 40 FHAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5C[C@H]3C[C@H]45)cc2)c1 7929539 GOMGYUNAXYJRAM-VUCAUUSGSA-N 363.413 3.923 0 40 FHAB COc1ccc2nc(C)c(C(=O)NCCc3ccccc3OC)cc2c1 29687125 KWUKIHFGXWWUSU-UHFFFAOYSA-N 350.418 3.533 0 40 FHAB COc1ccc(OC)c(C(=O)COC(=O)c2cc3ccccc3cc2O)c1 2616265 JADQATCZQZDUQC-UHFFFAOYSA-N 366.369 3.602 0 40 FHAB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(F)c2)n2ncnc2N1 2602027 IEZWZDNTOVFZLD-QGZVFWFLSA-N 356.401 3.582 0 40 FHAB Cc1cc(C)cc(OCCNC(=O)C2(c3ccccc3)CCOCC2)c1 56277210 JICJMMFMLUHXNX-UHFFFAOYSA-N 353.462 3.547 0 40 FHAB Cc1ccc(C(=O)Oc2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc1 102549013 NBYQZCAQUFCGBY-CPLUKWAASA-N 373.408 3.526 0 40 FHAB O=C(Nc1cccc2cccnc12)[C@@H]1CCCCN1C(=O)c1cccs1 32905855 WOESTQRBFPEEMO-INIZCTEOSA-N 365.458 3.930 0 40 FHAB O=C1COc2cc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)ccc2N1 21890965 RBNOWAWXYDIIAH-UHFFFAOYSA-N 368.723 3.525 0 40 FHAB COC(=O)[C@H](C)NC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccc(C)cc1)(C3)C2 100497261 LLGCIOWMDCLFGV-ZSVPXSECSA-N 355.478 3.511 0 40 FHAB Cc1ccc(N2C(=O)/C(=C\NNC(C)(C)C)c3ccccc3C2=O)cc1C 8178668 OCGIXRXFASDUNQ-UYRXBGFRSA-N 363.461 3.724 0 40 FHAB Cc1cccc(NC(=O)N[C@@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)n1 2725375 CPGAAJPTQUOSLS-HNNXBMFYSA-N 373.718 3.852 0 40 FHAB Cc1nn(C)c2ncc(NC(=O)c3csc(-c4ccsc4)n3)cc12 22473022 AAJBGSAXMXRXFB-UHFFFAOYSA-N 355.448 3.714 0 40 FHAB COc1ccc([C@@H](C)NC(=O)COC(=O)c2ccc(C(C)C)cc2)cc1 51356811 OYNFWCRNTNPTQB-OAHLLOKOSA-N 355.434 3.853 0 40 FHAB COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OC1CCCCCC1 823581 WZFPSUQOLKFKAK-GOSISDBHSA-N 358.438 3.589 0 40 FHAB O=C(Nc1nc[nH]n1)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 23142888 KHNDRFDCQZFBKR-UHFFFAOYSA-N 364.796 3.563 0 40 FHAB O=C(O)[C@H](c1c[nH]c2ccc(OCc3ccccc3)cc12)N1CCCC1 12389150 HSPAFEGZVABAPD-FQEVSTJZSA-N 350.418 3.968 0 40 FHAB COc1ccc(-c2noc(COC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)n2)cc1OC 104869525 JXMFXQKEOLGTGZ-YDHLFZDLSA-N 372.421 3.623 0 40 FHAB COc1cc2ccccc2cc1C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1 20460144 NCXURNMKMGPOJD-CALCHBBNSA-N 354.494 3.946 0 40 FHAB Cc1cc(C(=O)CCC(=O)Nc2cccc(-n3cnnc3)c2)c(C)s1 24703906 SQHCDCYNYKIHOT-UHFFFAOYSA-N 354.435 3.547 0 40 FHAB CC(=O)c1ccc(NC(=S)NN2CCCC[C@@H]2c2cccnc2)cc1 1442199 ZVYSWFNFFHLMNK-GOSISDBHSA-N 354.479 3.713 0 40 FHAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cc(F)ccc1F 23130949 ZTUSSQUWMJUURR-UHFFFAOYSA-N 362.420 3.626 0 40 FHAB O=C(C[C@@H]1CCCC[C@H]1C(=O)O)c1ccc(I)cc1 43879411 PBRAGIZIEINLNK-WCQYABFASA-N 372.202 3.755 0 40 FHAB O=C1C[C@@H](c2ccc(F)cc2)c2c(c(C(=O)O)cn2-c2cccc(F)c2)N1 35325379 YPLQDHRUEOOVLY-HNNXBMFYSA-N 368.339 3.928 0 40 FHAB Cc1cccc(Cl)c1NC(=O)CSc1nc2ccccc2c(=O)n1C 57411628 JDAAKAAFPLHQKP-UHFFFAOYSA-N 373.865 3.626 0 40 FHAB CCN(CC)C(=O)c1ccc(NC(=O)c2cccc3cn[nH]c23)cc1Cl 27395325 GLPSNHDZSXELQK-UHFFFAOYSA-N 370.840 3.951 0 40 FHAB O=C(CN1CCCc2cccc(F)c21)N(Cc1ccccc1F)C1CC1 22846621 OYBVXWNWMOBQHM-UHFFFAOYSA-N 356.416 3.909 0 40 FHAB CN(Cc1csc(C2CCCC2)n1)Cc1nc2ccccc2c(=O)[nH]1 58156803 DUVDJNGFKVSVDY-UHFFFAOYSA-N 354.479 3.669 0 40 FHAB Cc1ccc(CN2C(=O)[C@@H](N3CCSC3=O)[C@H]2c2ccsc2)cc1 58175557 OCGSXTGHEAJJKU-CVEARBPZSA-N 358.488 3.677 0 40 FHAB CC(=O)Nc1cccc([C@@H](C)NC(=O)CCCOc2ccccc2F)c1 58197742 YNIQBKYIEBZWMQ-CQSZACIVSA-N 358.413 3.821 0 40 FHAB CCc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3cccc(OC)c3)NC(=O)CN21 2115778 QMFJARHDSVJBIU-HRBBJJPOSA-N 362.473 3.895 0 40 FHAB biogenic Cc1nc(CN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)oc1C 58209742 UZZHYNCWZCWLCU-UHFFFAOYSA-N 368.264 3.556 0 40 FHAB Cc1nc2ccc(C(=O)Nc3[nH]nc(-c4ccncc4)c3C)cc2nc1C 58311460 HMHHQKMCKHJYSC-UHFFFAOYSA-N 358.405 3.592 0 40 FHAB CCOC(=O)Nc1cccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 8243406 LWPDGBPANPPZHM-UHFFFAOYSA-N 367.405 3.634 0 40 FHAB CCC(CC)NC(=O)CSc1nnc(Nc2cccc(C)c2)s1 3291810 DSHJIPAZDICUDV-UHFFFAOYSA-N 350.513 3.987 0 40 FHAB O=C(Nc1ccc2c(c1)-c1ccccc1C2)c1cnc2sccn2c1=O 12760712 RWPGUXGGYCUNGD-UHFFFAOYSA-N 359.410 3.580 0 40 FHAB CC[C@@H](C)c1ccc(NC(=O)[C@H](C)Oc2cccc(-n3cnnn3)c2)cc1 12735753 GNBANRAKKQAACI-CABCVRRESA-N 365.437 3.582 0 40 FHAB CCOC(=O)c1cc(NC(=O)c2cc(C)oc2C)cc(C(=O)OCC)c1 12816724 YXFUOURSDKUYJE-UHFFFAOYSA-N 359.378 3.502 0 40 FHAB Cc1ccc(NC(=O)CN(C)C(=O)Cc2cccc(C(F)(F)F)c2)cc1 3447800 ALRBDOQJVUJLJS-UHFFFAOYSA-N 364.367 3.653 0 40 FHAB COC(=O)c1ccc(CNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 12901561 KIQSMERGIGWCCZ-UHFFFAOYSA-N 362.429 3.763 0 40 FHAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1ccc(C)c(C)c1 13987320 BTENQHICBYPQQY-PZJWPPBQSA-N 370.518 3.608 0 40 FHAB COc1cccc2[nH]c(C(=O)NC3CCN(Cc4ccccc4)CC3)cc12 5322935 WINRVIUVJLSMHA-UHFFFAOYSA-N 363.461 3.571 0 40 FHAB C[C@H](NC(=O)CSc1nc(-c2ccccc2)n[nH]1)c1ccc(F)cc1 8534107 QBBOVMPCBOMJHQ-LBPRGKRZSA-N 356.426 3.580 0 40 FHAB C[C@H]1CN(C(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)C[C@H](C)O1 14138185 OVITZMRQDFOAQT-GJZGRUSLSA-N 363.417 3.653 0 40 FHAB C[C@@H](CNC(=O)CSc1nc(-c2cccs2)n[nH]1)c1ccccc1 8734490 KOUMYFYGGKHPKB-LBPRGKRZSA-N 358.492 3.545 0 40 FHAB O=C(O)c1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1 4699500 XVONRQVQVZYGLV-VBKFSLOCSA-N 353.399 3.664 0 40 FHAB CC[C@@H](CO)Nc1nc(SC)nc2sc3c(c12)C[C@@](C)(CC)OC3 5501445 SIHNYODPPLYJLM-DYZYQPBXSA-N 367.540 3.837 0 40 FHAB CC(C)[C@H]1Oc2ccccc2C(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O 6757416 BLLURIYSLNXMBQ-GOSISDBHSA-N 371.820 3.609 0 40 FHAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCCN1CCC(C)CC1 20458353 LHSHFXLTRPUTNP-KRWDZBQOSA-N 352.906 3.736 0 40 FHAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1Cl 7377655 XVXOUEURWDTEIB-VIFPVBQESA-N 352.681 3.666 0 40 FHAB COc1cc(N[C@H](C)c2nnc(-c3ccccc3)o2)cc(OC)c1OC 9114811 PARLWOMVJFIFOW-GFCCVEGCSA-N 355.394 3.936 0 40 FHAB COc1cc2cc(C(=O)Nc3cccc4c3ccn4C)n(C)c2cc1OC 96117533 QXYGCOPZEVRGDD-UHFFFAOYSA-N 363.417 3.940 0 40 FHAB CN(Cc1nc(-c2cccs2)no1)C(=O)CCSc1ccccc1 78579197 SPEDNMWFRZFDSP-UHFFFAOYSA-N 359.476 3.939 0 40 FHAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2cccc(C(=O)NC3CC3)c2)o1 9457707 NTAJJLOROOCDDV-NBVACRFTSA-N 350.418 3.947 0 40 FHAB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)CSc1ccc(O)cc1 78597228 YMMYDJVJPJHFSA-INIZCTEOSA-N 359.495 3.630 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@@H](NC(=O)Nc2ccccc2)C(C)C)cc1 9689922 IYIFUVSWOIVSGO-SFHVURJKSA-N 353.422 3.674 0 40 FHAB Cn1nc(-c2ccncc2)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 72301882 FHNTXSMVSIOYDE-UHFFFAOYSA-N 370.478 3.580 0 40 FHAB O=C(c1cccc[n+]1[O-])N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 72313419 VCVJQAJBHRAODZ-HNNXBMFYSA-N 350.340 3.706 0 40 FHAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)OC[C@H]3CCCCO3)c2C)cc1 95947603 XEWKCYKSADDRSW-YVNCXZRQSA-N 368.477 3.982 0 40 FHAB Cc1cccc(NC(=O)CNC(=O)N[C@H](c2ccccc2)C2CC2)c1C 9935890 AYZGMXSYYKFNJP-HXUWFJFHSA-N 351.450 3.692 0 40 FHAB Cc1nc(-c2cccc(NC(=O)c3n[nH]c(=O)c4ccccc34)c2)cs1 9996188 ZXOJXWRQJDITIT-UHFFFAOYSA-N 362.414 3.607 0 40 FHAB CC1(C)C[C@H](CC(=O)N[C@H]2[C@H]3CCCC[C@H]3[C@@H]2c2ccccc2)C(=O)O1 60016496 OSNAZHAXKSTPIM-VYMYIBDJSA-N 355.478 3.807 0 40 FHAB CCCN1C(=O)N/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C1=O 409222356 WTXLVCMBAQUKLG-RVDMUPIBSA-N 363.339 3.799 0 40 FHAB O=C(NC[C@@H]1CCCC1(F)F)c1cncc(-c2ccc3c(c2)CCO3)c1 514994503 UYYGSDHOYYIZQO-KRWDZBQOSA-N 358.388 3.849 0 40 FHAB COc1ccc(/C=C/C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)cc1 408625923 GBWZDDCSUOXSSM-QPJJXVBHSA-N 370.518 3.524 0 40 FHAB C[C@@H]1OCc2cc(=O)n(CC(=O)Nc3ccc(C4CCCCC4)cc3)nc21 72342364 QZQWNGIZKJZJHT-AWEZNQCLSA-N 367.449 3.521 0 40 FHAB COc1ccc(-c2cccc([C@H]3CCCN(Cc4nccn4C)C3)n2)cc1 72350004 UKCXJZTZUSHCBY-SFHVURJKSA-N 362.477 3.870 0 40 FHAB COc1cccc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)c1 72391144 LKDBJCQMQBTHQH-NJDAHSKKSA-N 368.452 3.537 0 40 FHAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCC(n2nccn2)CC1 238892896 QUFRMGGDWULSHU-UHFFFAOYSA-N 373.416 3.564 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 223577268 IMONEBYZEJESQM-LJQANCHMSA-N 366.505 3.789 0 40 FHAB COc1ccccc1CC(=O)NCc1ccccc1CN1CCC[C@@H](C)C1 40107119 JNVOCKAOYRORCC-GOSISDBHSA-N 366.505 3.786 0 40 FHAB CCOc1ccc(NC(=S)NCCCN2CCc3ccccc3C2)cc1 46103187 BFTUAROKQOMPDJ-UHFFFAOYSA-N 369.534 3.820 0 40 FHAB CCCc1ccc(OCCNC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 223380460 RIYGAOLBJQXDND-YRNVUSSQSA-N 353.418 3.576 0 40 FHAB CCCSc1nnc(NC(=O)[C@@H](CC)Oc2ccccc2OC)s1 224040383 SNAPXZOANHPBMX-LLVKDONJSA-N 367.496 3.845 0 40 FHAB COc1cccc(-c2noc(CNC(=O)Nc3cccc(Cl)c3)n2)c1 41153528 JGUREOWKWFECTB-UHFFFAOYSA-N 358.785 3.720 0 40 FHAB Cc1cc(OCC(=O)NCCOc2ccccc2Cl)ccc1Cl 224261344 JFXZNSCTYPGGMC-UHFFFAOYSA-N 354.233 3.876 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225042770 KIGUKSSQRUFTIV-SNVBAGLBSA-N 362.838 3.659 0 40 FHAB CSCC[C@@H](C(=O)Nc1nc(-c2cccnc2)cs1)n1cccc1 575443420 YYQSHBQLRULYPN-HNNXBMFYSA-N 358.492 3.940 0 40 FHAB C[C@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1ccc(-n2cnnc2)cc1 576098898 LITYKDYECGCNTH-OAQYLSRUSA-N 364.424 3.644 0 40 FHAB Cn1cc([C@@H]2CCN(C(=O)Nc3nc([C@H]4C[C@H]5CC[C@H]4C5)cs3)C2)cn1 333038842 DVEVWDNYYJTWSS-AYDFFVQHSA-N 371.510 3.802 0 40 FHAB Cc1nc(C(C)C)oc1CN1CCOC[C@H]1c1nc(-c2ccccc2)no1 585085680 ZTXIPFQGMCXACH-INIZCTEOSA-N 368.437 3.730 0 40 FHAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C2CCCCC2)CC1 257266882 MEZNJWCOFVCNMG-DBXWQHBBSA-N 371.525 3.762 0 40 FHAB CC[C@@](C)(OC)C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1 260812587 HARNXYQCPWWREI-LAUBAEHRSA-N 362.514 3.941 0 40 FHAB CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc3nc(C)nn3c2)s1 289771997 SJQCFFGOKIWVLK-LLVKDONJSA-N 358.471 3.590 0 40 FHAB CCO[C@@H](c1nc(-c2cn3ccc(Br)cc3n2)no1)C(C)C 624628797 QNMNEVKQTAZHKR-CYBMUJFWSA-N 365.231 3.880 0 40 FHAB CSc1ccc2ncnc(N3CC4(CN(Cc5ccccc5)C4)C3)c2c1 1165125022 QXULQMAVEWZGBP-UHFFFAOYSA-N 362.502 3.674 0 40 FHAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1cnn(C[C@H]2CCCCO2)c1 390828187 PHRCJXAWSIMVMG-MRXNPFEDSA-N 367.371 3.652 0 40 FHAB CC(C)(C)c1ccc(C(=O)N2CC[C@H](Oc3ncc(Cl)cn3)C2)cc1 575605366 KGXZHHMSGLZQNQ-INIZCTEOSA-N 359.857 3.721 0 40 FHAB Cc1cc(C(=O)Nc2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2C)on1 55593644 ZQGFYIFXPVEPBA-CHWSQXEVSA-N 355.438 3.662 0 40 FHAB COCCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)Nc1ccccc1 1565520253 PSGQJSOZTMUQGG-ICSRJNTNSA-N 359.514 3.822 0 40 FHAB biogenic COc1ccc(CCNC(=O)Cc2c(Cl)cccc2Cl)cc1OC 5514356 LNHKFVUIWLRSKX-UHFFFAOYSA-N 368.260 3.912 0 40 FHAB CN(CCCNC(=O)c1ncoc1-c1cccc(F)c1)c1ccccc1 12144655 ZIAMRLLZUWAODJ-UHFFFAOYSA-N 353.397 3.737 0 40 FHAB CC[C@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 12604937 SURSUXVNDYMUNJ-HNNXBMFYSA-N 360.479 3.633 0 40 FHAB C[C@@H](NC(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O)C1CC1 12632512 DGXZRYHSYAMKJM-CYBMUJFWSA-N 359.495 3.534 0 40 FHAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)NCc3ccccc3)C2)c(C)c1 15935939 HNWPLWDSRSAKSO-IBGZPJMESA-N 365.477 3.864 0 40 FHAB Cc1c(-c2cc(C(=O)Nc3nc4c(s3)CCCCCC4)no2)cnn1C 19554175 YNDNHNGTQVCVAH-UHFFFAOYSA-N 371.466 3.751 0 40 FHAB Clc1cc(-c2noc(CCc3cscn3)n2)cc2c1OCCCO2 546952812 JXVXVMDQLHDKTI-UHFFFAOYSA-N 363.826 3.793 0 40 FHAB Cc1nc(-c2ccc(S(=O)(=O)NCC3(c4ccsc4)CC3)cc2)co1 1888987369 NGSGUTKSFAIDAM-UHFFFAOYSA-N 374.487 3.722 0 40 FHAB CCN(CC)C(=O)/C(=C\c1ccccc1F)NC(=O)c1ccc(C)cc1 5002777 ZHUSDNYGFLDJAE-XMHGGMMESA-N 354.425 3.773 0 40 FHAB COc1ccc(-c2cccc(NS(=O)(=O)c3ccc(C)c(C)c3)c2)nn1 5204166 ADMGXCOHYMMBBP-UHFFFAOYSA-N 369.446 3.570 0 40 FHAB O=C(NCCOc1ccc(F)cc1)c1ccccc1C(=O)c1ccccc1 22479981 DFQLMUJPJLTRIN-UHFFFAOYSA-N 363.388 3.866 0 40 FHAB Cc1cccc(NC(=O)N[C@@H](C)[C@H](c2cccs2)N2CCOCC2)c1 23182637 ZGNNSNHCOUGADA-MAUKXSAKSA-N 359.495 3.640 0 40 FHAB CCOc1ccc2ccccc2c1C(=O)NC[C@@](C)(O)Cc1ccco1 206616708 WFMCZECOHWEIKR-NRFANRHFSA-N 353.418 3.555 0 40 FHAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 40059575 MGYHOOIJLJJMNE-MRXNPFEDSA-N 363.465 3.506 0 40 FHAB C[C@H](NC(=O)Cc1csc(Cc2ccccn2)n1)c1ccc(F)cc1 40129666 UTZPHHCCRCWOMI-ZDUSSCGKSA-N 355.438 3.688 0 40 FHAB CN(C)c1ccccc1NC(=O)C1CCN(c2nc3ccccc3o2)CC1 30573201 MMTXDPGDVNJZJV-UHFFFAOYSA-N 364.449 3.749 0 40 FHAB CC(C)Cc1ccc(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 10969091 BWAHJPSLGBJKNX-MRXNPFEDSA-N 373.518 3.709 0 40 FHAB COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2C)n1C 869064 WDWQJJNEHFIHOJ-UHFFFAOYSA-N 368.462 3.530 0 40 FHAB Cc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C)o4)no3)C2)cc1 1364820 UPVUWSDVAJPMQF-MRXNPFEDSA-N 351.406 3.966 0 40 FHAB COc1ccc(OCCCC(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2)cc1 4242990 NMGMIIGKSMYCLM-MRXNPFEDSA-N 371.433 3.733 0 40 FHAB CCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1-n1cccc1 4518540 VDBHEUGWIRHKJT-UHFFFAOYSA-N 369.494 3.691 0 40 FHAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(C)cc3C)n2)cc1 6203565 XEIJXJVBMXGIHB-UHFFFAOYSA-N 368.462 3.828 0 40 FHAB Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccccc1N1CCOCC1 6333144 ZALSVRLIGDFMNJ-UHFFFAOYSA-N 368.477 3.973 0 40 FHAB c1ccc(-n2c(SC[C@@H]3CCOCO3)nnc2-c2cccs2)cc1 8089168 NPHXIOINOKXCTC-AWEZNQCLSA-N 359.476 3.851 0 40 FHAB COc1cc(CNn2c(C)n[nH]c2=S)ccc1OCc1ccc(C)cc1 8550157 IYPXFBVKZQXYLW-UHFFFAOYSA-N 370.478 3.889 0 40 FHAB Cc1cc(Br)cc(C)c1OCCn1cnc2ccccc2c1=O 8750576 YBIIUZSFWWQWQP-UHFFFAOYSA-N 373.250 3.855 0 40 FHAB C[C@@H](NC(=O)c1cc2ccccc2s1)c1ccc(NS(C)(=O)=O)cc1 45834453 ADPDAGNEGFTEOA-GFCCVEGCSA-N 374.487 3.764 0 40 FHAB CCCOc1cccc(C(=O)N2CCN(c3c(N)cccc3Cl)CC2)c1 57331941 PJPULWCHESOWDD-UHFFFAOYSA-N 373.884 3.673 0 40 FHAB O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cccc(N2CCCC2=O)c1 29352699 ZLXKVYRIGIPDLL-UHFFFAOYSA-N 352.419 3.517 0 40 FHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@H]1CCCC[C@@H]1C 9663040 BKVOAPNNGHBBNP-RDJZCZTQSA-N 372.538 3.676 0 40 FHAB COc1ccc(CC(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)cc1 28303733 IMFNNBZXAKDCOL-UHFFFAOYSA-N 355.825 3.775 0 40 FHAB CCOc1cc2c(cc1[C@@H](C)c1cc(OC)c(OC)c(OC)c1)OCO2 3053286 GDUHIVCBHNKYMH-LBPRGKRZSA-N 360.406 3.992 0 40 FHAB COc1ccccc1N[C@@H](NC(=O)c1ccccc1)C(=O)c1ccccc1 801956 INWMXXWXXXTLMV-NRFANRHFSA-N 360.413 3.746 0 40 FHAB CCc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1cc(OC)c(OC)c(OC)c1 20459090 WIYBJWNXYVNYRM-FQEVSTJZSA-N 366.461 3.991 0 40 FHAB CCCC[C@H](CC)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 7608489 ICMAZRXEQCXWOU-ZDUSSCGKSA-N 374.934 3.537 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)c1nn(-c2cccc(Cl)c2)nc1C 23116550 MBPKQOHSOYORIB-LBPRGKRZSA-N 370.840 3.729 0 40 FHAB CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3cnn(CC(F)(F)F)c3)c2C1 2803192 NQJSGQFXEUPHDD-JTQLQIEISA-N 370.375 3.837 0 40 FHAB COc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccco2)cc1 904761 QVLIBGMZHYJGQI-VBKFSLOCSA-N 368.414 3.759 0 40 FHAB C[C@H](OC(=O)c1cc(Cl)ccc1F)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 104807710 GJPPEWPBTXSVHM-CENBSLRLSA-N 355.837 3.965 0 40 FHAB CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)nnc1C1CC1 7618420 PVRCGLGTBWIMCO-JTQLQIEISA-N 350.875 3.948 0 40 FHAB CC(C)c1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)cc1 21596189 RVWSOPKSLDKDMX-UHFFFAOYSA-N 356.447 3.708 0 40 FHAB Cc1cnc(C(=O)N(C)[C@H](C)c2ccc(-n3cnc4ccccc43)cc2)cn1 12549432 DNRSJMHYINQRMQ-MRXNPFEDSA-N 371.444 3.957 0 40 FHAB C[C@@H](Nc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cn1 12592661 XRUUOZXUQSBFMP-SECBINFHSA-N 354.635 3.937 0 40 FHAB CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)o2)cc1 24551003 NUVJDUGRIJUROS-UHFFFAOYSA-N 370.858 3.606 0 40 FHAB CN(Cc1cc(Br)cs1)C(=O)[C@H]1COc2ccccc2C1 58023459 LMTXUALUFNXUSK-GFCCVEGCSA-N 366.280 3.720 0 40 FHAB Cc1ccc(NC(=O)N[C@@H](c2nc(-c3ccncc3)no2)C(C)C)cc1 58245979 AGFKXLUFEHVCSR-MRXNPFEDSA-N 351.410 3.959 0 40 FHAB COc1cccc(-c2nnc3sc(-c4cccc(OC)c4OC)nn23)c1 10311662 WBPSFVSLYCLKIN-UHFFFAOYSA-N 368.418 3.546 0 40 FHAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1cccc2ncccc12 10445189 GITIVCGAGFSLEY-UHFFFAOYSA-N 354.793 3.841 0 40 FHAB O=C(c1cc2ccccc2cc1O)N1CCCN(Cc2ccccc2)CC1 12755125 KSFGEOYRLQBSFX-UHFFFAOYSA-N 360.457 3.894 0 40 FHAB CCS(=O)(=O)Nc1ccc(NC(=O)c2cccc3ccccc23)cc1 48365247 MOCINLXPIPMGHF-UHFFFAOYSA-N 354.431 3.854 0 40 FHAB O=C(NCCc1nc2ccccc2[nH]1)c1cc(C2CC2)nn1-c1ccccc1 12822872 SQHLQCCQJGQYBS-UHFFFAOYSA-N 371.444 3.599 0 40 FHAB Cc1cc(F)ccc1NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C 12899222 VJDFKRXUWASESL-UHFFFAOYSA-N 351.381 3.758 0 40 FHAB CCN(CC)C(=O)[C@H]1CCCN(C(=O)Nc2ccc3sc(C)nc3c2)C1 408979146 PBKXTCRWUDKMKZ-AWEZNQCLSA-N 374.510 3.717 0 40 FHAB CS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 12849542 FIIJOMLXHFYVJJ-KRWDZBQOSA-N 363.866 3.625 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)c1ccc3ncsc3c1)CC2 3425026 MGKQHAUWAGNFQR-UHFFFAOYSA-N 354.431 3.512 0 40 FHAB Cc1nn(Cc2ccccc2)c(=O)n1-c1ccc(OCc2ccccc2)cc1 4088823 TVDHANDFGHQQED-UHFFFAOYSA-N 371.440 3.970 0 40 FHAB Cc1cccn2c(=O)c3cc(C(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)sc3nc12 4148736 LCDBOTKYKDTHSM-CORIIIEPSA-N 369.490 3.772 0 40 FHAB COc1ccc(Br)cc1/C=C/C(=O)O[C@@H]1CCCCC1=O 5079374 VSOWWKHHVUCDOW-RZIFZGNASA-N 353.212 3.526 0 40 FHAB CCC(=O)Oc1ccc(C(=O)Nc2ccc(OC(=O)CC)cc2C)cc1 13955209 VSHTVRCDOGKQNL-UHFFFAOYSA-N 355.390 3.878 0 40 FHAB O=C(Cn1c(-c2cscn2)nc2ccccc21)NCc1ccccc1F 8278247 BAYIVSCKXIXMNS-UHFFFAOYSA-N 366.421 3.615 0 40 FHAB COc1ccc(Cl)cc1NC(=O)C[C@@H](NC(C)=O)c1cccs1 14092929 UJIYJAFFXVJKHR-CYBMUJFWSA-N 352.843 3.616 0 40 FHAB O=S(=O)(c1cccs1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 14165885 XQIHAYYFTAXEEW-UHFFFAOYSA-N 365.476 3.610 0 40 FHAB O=C(NCc1ccccc1)c1ccccc1OCc1ccc2c(c1)OCO2 5404584 DOIJEAOXUPNOMW-UHFFFAOYSA-N 361.397 3.924 0 40 FHAB CCc1ccc(NC(=O)COc2ccccc2C(=O)N2CCCCC2)cc1 6543285 XPNAIMNQJCYYBK-UHFFFAOYSA-N 366.461 3.893 0 40 FHAB COc1ccc([C@H]2CC(=O)Nc3ncn(-c4ccc(F)cc4)c32)cc1OC 66091721 LJLHAGSUYNENCT-OAHLLOKOSA-N 367.380 3.503 0 40 FHAB Cc1ccc2c(c1)cc(C(=O)Nc1c(C)n(C)n(-c3ccccc3)c1=O)n2C 4749275 TYWXWFFZQZYLRH-UHFFFAOYSA-N 374.444 3.537 0 40 FHAB COc1ccc(CCNc2ncnc3c2cnn3-c2ccc(F)cc2)cc1 8582987 VHBGNXJENDZINZ-UHFFFAOYSA-N 363.396 3.618 0 40 FHAB CN1C(=O)[C@@]2(Nc3ccccc3-c3nc4ccccc4n32)c2cc(F)ccc21 8654338 LVQBAMCCLXYWDX-JOCHJYFZSA-N 370.387 3.945 0 40 FHAB COc1cccc(-c2nn(CN3CCc4ccccc4C3)c(=S)n2C)c1 8734086 NESRKCLJWIYKNM-UHFFFAOYSA-N 366.490 3.642 0 40 FHAB COCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccccc1 408574618 JDXMZTXIORLROP-OAHLLOKOSA-N 372.490 3.572 0 40 FHAB Cc1cnc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)s1 9500873 OQERYWCDJSCCSZ-OCABNYQQSA-N 373.522 3.597 0 40 FHAB Cc1cccc(C)c1-n1nnnc1SCC(=O)c1cc(F)ccc1F 8981372 DWCZLCPGDDJRPN-UHFFFAOYSA-N 360.389 3.532 0 40 FHAB O=C(N[C@@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F)[C@@H]1COCCO1 93021630 CFODXWYKYMYRDZ-UAGQMJEPSA-N 371.399 3.653 0 40 FHAB COc1cc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)ccc1O 9453164 WXWQKAMJFGAZIH-XYOKQWHBSA-N 354.793 3.708 0 40 FHAB COc1cc(OC)c(OC)cc1CNC(=O)c1cccc2ccccc12 9479413 CYEIKKYVXCHZCA-UHFFFAOYSA-N 351.402 3.796 0 40 FHAB COC(=O)c1cc(C)ccc1NC(=O)c1cc2ccccc2c(OC)n1 89611966 VGNRFIXLNGBAMI-UHFFFAOYSA-N 350.374 3.591 0 40 FHAB CC[C@@H](CC(=O)N1CCC[C@H](c2n[nH]c(=S)n2C)C1)c1ccccc1 78621838 XRKKTEKVYDOBRX-HOCLYGCPSA-N 358.511 3.768 0 40 FHAB COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2c2nc3ccccc3s2)C1 95954317 KLLVXGJZQSPOJS-QLFBSQMISA-N 372.490 3.592 0 40 FHAB CCc1nnc(NC(=O)c2sc(Cc3ccc(F)cc3)nc2C)s1 95949111 PRNKSHXBLUAJJO-UHFFFAOYSA-N 362.455 3.848 0 40 FHAB CC(C)[C@@H](Sc1n[nH]c2nc3ccccc3n12)C(=O)Nc1ccccc1 9908726 KWNFCKDCKHACQA-MRXNPFEDSA-N 365.462 3.966 0 40 FHAB COc1cccc(C(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)c1 28305900 JAJLSNQSRSEUNL-UHFFFAOYSA-N 359.788 3.985 0 40 FHAB Cc1cccc(CN2CC[C@]3(CCn4c(-c5cccs5)cnc43)C2)n1 306127917 GKPBUFNKVWBFHO-FQEVSTJZSA-N 350.491 3.862 0 40 FHAB CC(C)n1cc(I)c(COCCC(F)(F)F)n1 408716740 QKNVANWFHOWNOQ-UHFFFAOYSA-N 362.133 3.538 0 40 FHAB COc1cccc(O[C@H](C)C(=O)NCCSCc2cccc(C)c2)c1 30853558 VRVMMVNXNXQNKR-MRXNPFEDSA-N 359.491 3.821 0 40 FHAB COc1ccc(OC)c(CN2Cc3ccccc3OC3(CCOCC3)C2)c1 72334248 COJZALNOCPGTCI-UHFFFAOYSA-N 369.461 3.648 0 40 FHAB COc1ccccc1NC(=O)c1c2c(nc3c1cnn3C(C)C)CCC2 36357191 CQHKPVLIQDSJLM-UHFFFAOYSA-N 350.422 3.762 0 40 FHAB O=C(O)c1ccc([C@H]2SCC(O)=Nc3c2c(O)nn3C2CCCC2)cc1 79474960 FBCSWRXHESYFQX-OAHLLOKOSA-N 373.434 3.826 0 40 FHAB Cc1c(CO)c2ccccc2n1C(=O)COc1ccc(Br)cc1 218741547 TVKPXWHJSDTFCQ-UHFFFAOYSA-N 374.234 3.924 0 40 FHAB COC(=O)c1ccc(CS(=O)(=O)Nc2c(Cl)cccc2Cl)cc1 44844086 ABRMSIKTWTVWRO-UHFFFAOYSA-N 374.245 3.722 0 40 FHAB C[C@@]1(c2cccs2)NC(=S)N(c2ccc(Br)cc2)N1 225343177 JVQKVAJSRSOYMR-CYBMUJFWSA-N 354.298 3.583 0 40 FHAB CCc1ccc(O[C@H](CC)C(=O)N[C@H](C)COc2ccc(OC)cc2)cc1 222892795 FUGMSRODRWRERR-IIBYNOLFSA-N 371.477 3.999 0 40 FHAB CCOC(=O)c1cccc(NC(=S)NCc2ccc(OC)cc2)c1C 225314474 YQAHOZDFJUSWLT-UHFFFAOYSA-N 358.463 3.667 0 40 FHAB C[C@]1(C(=O)NCCCc2ccc(F)cc2)CC(c2cccc(F)c2)=NO1 223285314 BYNQOIULGOWPLW-HXUWFJFHSA-N 358.388 3.597 0 40 FHAB COc1ccc(C(=O)NCc2ccco2)cc1COCc1ccccc1 224458389 AOINJXYAINFSIW-UHFFFAOYSA-N 351.402 3.935 0 40 FHAB Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(N3CCCC3=O)c2)cc1C 225790676 IPARTPMHKBCVQP-QGZVFWFLSA-N 366.461 3.628 0 40 FHAB Cc1cc(Br)cc(C)c1NC(=S)NCc1ccncc1 225193219 CIPPNZMRKVETRD-UHFFFAOYSA-N 350.285 3.948 0 40 FHAB Cc1noc([C@@H]2CCCN(C(=O)NCCc3csc4ccccc34)C2)n1 194667931 GUFJIXBTHUUPGR-CQSZACIVSA-N 370.478 3.724 0 40 FHAB CCOC(=O)c1ccccc1Nc1cc(N)nc(-c2ccccc2F)n1 49467873 MROZBULPDCMKFD-UHFFFAOYSA-N 352.369 3.785 0 40 FHAB C[C@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)N1[C@@H](C)CCC[C@H]1C 230018655 PZEKONNQSHIONF-XQQFMLRXSA-N 369.494 3.776 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)N1CCC(Oc2ncccc2Cl)CC1 96096863 PTCGGUQXBUAHFI-UHFFFAOYSA-N 369.852 3.829 0 40 FHAB COc1cccc(C(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)c1 243859067 RICOZFZCFDFZSD-UHFFFAOYSA-N 370.493 3.554 0 40 FHAB CNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCC[C@H]2C)n1 260742664 XZDSWNVCQBLEDX-CYBMUJFWSA-N 357.483 3.564 0 40 FHAB O=C(Cc1c[nH]c2ccc(F)cc12)N1CCc2c(cnn2-c2ccccc2)C1 604313230 LNBDASXIWSMMAZ-UHFFFAOYSA-N 374.419 3.620 0 40 FHAB O=C(O)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2ccccc21 669435496 IKMXGADDXBUMJG-QLFBSQMISA-N 357.356 3.673 0 40 FHAB Cc1cnc([C@@H](NC(=O)N2CCOc3cccc(F)c3C2)C2CC2)s1 670130597 ZLCMFFKRZKSORU-INIZCTEOSA-N 361.442 3.646 0 40 FHAB CC[C@H](C)n1ncc2c(C(=O)N(C)Cc3ccc(C)cn3)cc(C)nc21 682770420 ZEURFKFDEWWYJB-HNNXBMFYSA-N 351.454 3.686 0 40 FHAB Cc1ccc(CC(=O)N2CCCc3cc(C(=O)OC(C)(C)C)ccc32)cn1 598851014 BMFWIAZXGKLUQE-UHFFFAOYSA-N 366.461 3.867 0 40 FHAB FC(F)(F)c1nc(-c2cccc(C3CCN(CC4CC4)CC3)n2)no1 585289878 LUNXBYNNSBQDAE-UHFFFAOYSA-N 352.360 3.740 0 40 FHAB Cn1cc(CC(=O)Nc2ccc(OCC(F)(F)F)nc2)c2ccccc21 48310589 ROXJOGRXNWOPSV-UHFFFAOYSA-N 363.339 3.696 0 40 FHAB COc1ccccc1-c1cc(NC(=O)c2ccc(-n3cccn3)cc2)[nH]n1 69143100 GWDGHLCSVRGMOD-UHFFFAOYSA-N 359.389 3.523 0 40 FHAB COc1ccc(OC)c(C(=O)CSc2nnc(-c3cccc(F)c3)o2)c1 928210 VQXRKXIFDWLEMY-UHFFFAOYSA-N 374.393 3.868 0 40 FHAB COC(=O)c1ccccc1[C@@H]1CN=N[C@@]12Cc1c(ccc3c1CCC3)C2=O 5537984 BEVZCKSDDOQXIV-UGKGYDQZSA-N 360.413 3.689 0 40 FHAB Cc1ccc([C@H](CC(=O)N[C@H]2C[C@@H](C)N(C)C[C@@H]2C)c2ccco2)cc1 5616236 ALGBIQNSNSQKKV-HNJRGHQBSA-N 354.494 3.955 0 40 FHAB CC(C)(C)C(=O)N(CCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 5624897 YTLSHXALKJULHX-UHFFFAOYSA-N 363.461 3.541 0 40 FHAB CCOC(=O)C(CCN(CC)CC)(CCN(CC)CC)c1ccccc1 5698972 VAMOHKZVXBCIKF-UHFFFAOYSA-N 362.558 3.951 0 40 FHAB O=C(O)C[C@H]1SC2=Nc3ccc(Cl)cc3[C@H](c3ccccc3)N2C1=O 5775322 OAKXHCDPXAKZPG-ZBFHGGJFSA-N 372.833 3.849 0 40 FHAB C[C@@H](O)CC(C)(C)NC(=O)Cn1c(-c2ccc(F)cc2)cc2cccnc21 12144019 CCMZBLHIRVFVMQ-CQSZACIVSA-N 369.440 3.508 0 40 FHAB COc1ccc(-c2noc(CN(C)C(=S)Nc3ccccc3C)n2)cc1 12654293 NQZFOENAYPHARH-UHFFFAOYSA-N 368.462 3.882 0 40 FHAB CCCCOc1ccc(NC(=O)c2snc3c(O)nc(C)nc23)cc1 13564090 JNGKZPUVGOYWGX-UHFFFAOYSA-N 358.423 3.532 0 40 FHAB COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2)sc2c1CCCC2 14004411 RQPSRJOBWAOEFC-GFCCVEGCSA-N 359.447 3.820 0 40 FHAB COc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 16030628 GZKDGUKKCSJSTO-MRXNPFEDSA-N 360.413 3.840 0 40 FHAB COCCCN(Cc1ccccn1)Cc1ccc2cccc(OC)c2n1 19593278 PPYCJPOSCYIWEO-UHFFFAOYSA-N 351.450 3.677 0 40 FHAB Cn1nccc1CN1CCC[C@H](c2ccc(Cc3ccc(F)cc3)cn2)C1 19690301 DXGFALVDJLHHTH-IBGZPJMESA-N 364.468 3.925 0 40 FHAB COc1ccc2cc(C(=O)NCc3nnc(-c4ccccc4)o3)c(C)nc2c1 19715208 PIOSTTMIZKPMMO-UHFFFAOYSA-N 374.400 3.532 0 40 FHAB CN(C)c1nnc(SCc2noc(-c3ccc(Cl)cc3)n2)s1 108668035 DFZAWNLXERTGRY-UHFFFAOYSA-N 353.860 3.600 0 40 FHAB c1cc2cc(c1)Cc1cc(-c3ccncc3)ccc1OCCOCCNC2 643589224 RRFYUMIXMRYTPF-UHFFFAOYSA-N 360.457 3.838 0 40 FHAB Cc1cccc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c1C 3270346 OYDZQYDHOKZEAE-UHFFFAOYSA-N 353.205 3.801 0 40 FHAB O=C1C[C@]2(CCCN(Cc3cccc(F)c3)CC2)Nc2ccccc2CN1 2037988607 AGYLMACVJCVARY-JOCHJYFZSA-N 367.468 3.682 0 40 FHAB CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1 4518007 JPDWOGARAUHIEE-UHFFFAOYSA-N 364.473 3.527 0 40 FHAB O=C(NC(c1ccccc1)c1ccccc1)N1CC(Oc2nccs2)C1 208032164 ADKUOJKSNPZYFE-UHFFFAOYSA-N 365.458 3.705 0 40 FHAB CCCCNC(=O)c1c(C(F)(F)F)nn(C2CCN(C(C)C)CC2)c1C 49362753 HQDCXFFBTYDXOX-UHFFFAOYSA-N 374.451 3.786 0 40 FHAB O=C(O)c1cc(S(=O)(=O)Oc2cccc3ccccc23)ccc1Cl 13342153 AGBITIJWVAKSMO-UHFFFAOYSA-N 362.790 3.959 0 40 FHAB COc1ccc(-c2cnc(SCC(N)=O)n2-c2cccc(Cl)c2)cc1 44087248 LEJDETCDVLLVQT-UHFFFAOYSA-N 373.865 3.779 0 40 FHAB COc1ccc(-c2noc(-c3ccccc3C(=O)NC(C)(C)C)n2)cc1 2429775 ZIDNMSYFXLROOJ-UHFFFAOYSA-N 351.406 3.941 0 40 FHAB CCOC(=O)c1cc(NC(=O)Nc2cc(OC)ccc2OC)c(C)nc1C 2696851 CYZMYIGDHFHJGQ-UHFFFAOYSA-N 373.409 3.536 0 40 FHAB Cc1ccc(Cn2c(=O)n(-c3ccc(C)cc3)c(=O)c3ccccc32)cc1 4904809 DEWVTYKJTIVESR-UHFFFAOYSA-N 356.425 3.818 0 40 FHAB COc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3o2)cc1Cl 6305038 JLXRXYTZZNLUCN-UHFFFAOYSA-N 359.769 3.701 0 40 FHAB COc1cccc(OC)c1C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 6966852 SQCCLRNISSCZTA-UHFFFAOYSA-N 374.868 3.628 0 40 FHAB Cc1cc(OCC(=O)Nc2ccc3[nH]ccc3c2)c2c(C)cc(=O)oc2c1 32124218 UXNVGFXBKHUPTL-UHFFFAOYSA-N 362.385 3.909 0 40 FHAB biogenic Cc1ccccc1[C@H](OC[C@H](O)CNCc1ccccn1)c1ccccc1 2645867 HXOHACQGXBNOGX-FYYLOGMGSA-N 362.473 3.647 0 40 FHAB Cc1ccc(C)n1NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 32679070 OWUJEGBRPOWCGY-UHFFFAOYSA-N 360.417 3.716 0 40 FHAB COc1ccc([C@H](C)NC(=O)CSCc2ccc(F)cc2)cc1OC 20110615 ZDLQZRBZBSDYTD-ZDUSSCGKSA-N 363.454 3.954 0 40 FHAB CCCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccncc1 9667061 UJTHMBXNBLPMHR-UHFFFAOYSA-N 371.441 3.620 0 40 FHAB CC(=O)Nc1ccc(CNC(=O)CCC(=O)c2cc(C)sc2C)cc1 32901159 HAMVWVGSNZTJDV-UHFFFAOYSA-N 358.463 3.603 0 40 FHAB Cc1ccccc1OCCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 111211507 PRVBDEALCDYILY-UHFFFAOYSA-N 374.289 3.800 0 40 FHAB COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1Br 672548 XGUFIONIGUJLTA-UHFFFAOYSA-N 363.211 3.668 0 40 FHAB C[C@@H]1CN(C(C)(C)CNC(=O)Nc2cccc3ccccc23)C[C@@H](C)O1 22357885 MTXMEBPNJBWLBJ-HZPDHXFCSA-N 355.482 3.849 0 40 FHAB Cc1n[nH]c(C(=O)N(Cc2ccccc2)Cc2ccco2)c1Br 53413150 YYTFHFRHBXHLJQ-UHFFFAOYSA-N 374.238 3.916 0 40 FHAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N[C@@H](C)C(C)C 22412088 HYEXXRSCYDZDMQ-NSHDSACASA-N 355.360 3.674 0 40 FHAB O=C(C[C@@]1(O)C(=O)Nc2ccc(Cl)cc21)c1cccc2ccccc12 783790 LYYWZJILJNAVRR-FQEVSTJZSA-N 351.789 3.906 0 40 FHAB O=C(Nc1ccc(Br)cc1)c1cc2ccc(O)cc2oc1=O 845981 YSIAPQOQJYKIKA-UHFFFAOYSA-N 360.163 3.513 0 40 FHAB CC(C)NC(=O)Nc1cccc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)c1 24892692 QJLJEURZQXDXAG-UHFFFAOYSA-N 363.421 3.859 0 40 FHAB COCC(=O)Nc1ncc(Cc2ccc(Cl)c(C(F)(F)F)c2)s1 24989504 GLWRCWGBJFJYRP-UHFFFAOYSA-N 364.776 3.991 0 40 FHAB COc1ccc(NC(=O)COC(=O)/C=C/c2cccs2)cc1Cl 3224687 SDMVKKWPDSLOHM-FNORWQNLSA-N 351.811 3.605 0 40 FHAB COC(=O)c1ccoc1CN(CCc1ccccn1)Cc1ccc(F)cc1 57650215 AEJGVXURAHXRGK-UHFFFAOYSA-N 368.408 3.845 0 40 FHAB CCOC(=O)c1cnn(-c2ccc(C(=O)N(CC)[C@H](C)C(C)C)cc2)c1C 58017308 AONFSQVHWATSGJ-OAHLLOKOSA-N 371.481 3.864 0 40 FHAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(Cl)cc1)c1ccccc1 408627933 RPGBGBOWGIRANA-UHFFFAOYSA-N 366.870 3.525 0 40 FHAB Cc1nc(C(=O)N(C)CCC(F)(F)F)nn1-c1ccccc1C(C)C 58181135 NNJKKRJAYPBMFY-UHFFFAOYSA-N 354.376 3.724 0 40 FHAB C[C@@H]1CCc2noc(NC(=O)c3cc(=O)c4cc(Cl)ccc4o3)c2C1 27750463 WWVMUOHYXDCJGD-SECBINFHSA-N 358.781 3.812 0 40 FHAB CCOc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cc1 27793058 YCZQNNBTLMMKIY-OAQYLSRUSA-N 352.478 3.961 0 40 FHAB Cn1ccnc1Sc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 10423957 LVRMLBJSVKIELQ-UHFFFAOYSA-N 367.430 3.595 0 40 FHAB CCN(CC)c1ccc(C(=O)OCC(=O)c2cc(OC)ccc2OC)cc1 3315773 RRJPVJRPZNRWJV-UHFFFAOYSA-N 371.433 3.590 0 40 FHAB O=C(COc1ncnc2c(Cl)cc(Cl)cc12)NCc1cccs1 3373002 KCTZKRZGYZLYEK-UHFFFAOYSA-N 368.245 3.693 0 40 FHAB Cc1cc(C)n(Cc2nn3c(-c4ccc(Cl)cc4F)nnc3s2)n1 36352733 LCSTYQIRBSRIKV-UHFFFAOYSA-N 362.821 3.507 0 40 FHAB O=C1C[C@@H](C(=O)Nc2ccc(Br)cc2)c2ccc(F)cc2N1 12766565 VCBCQPVUPAJQIT-CYBMUJFWSA-N 363.186 3.653 0 40 FHAB Cc1sc(NC(=O)[C@@H]2CCCO2)nc1-c1ccc(OC(F)F)cc1 12753642 BRPZVWMHNHYONF-LBPRGKRZSA-N 354.378 3.837 0 40 FHAB C[C@@H]1CCCN(Cc2csc(NC(=O)c3cc(F)cc(F)c3)n2)C1 12793492 DCTKXEPCGMDNBP-LLVKDONJSA-N 351.422 3.906 0 40 FHAB Clc1ccc(-c2noc(Cn3nnc(-c4ccc(Cl)cc4)n3)n2)cc1 12994541 RETHGYWSNWELCQ-UHFFFAOYSA-N 373.203 3.745 0 40 FHAB CCCn1c2c(c(O)c(C(=O)Nc3ccccc3Cl)c1=O)CCCC2 6075973 UBFRRMZCTZMNMI-UHFFFAOYSA-N 360.841 3.748 0 40 FHAB C[C@@H]1Oc2c(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cccc2[C@@H]1C 14183364 DOEWPCLDVJVGFT-SOLBZPMBSA-N 350.462 3.575 0 40 FHAB COCCNC(=O)C[C@H](C)CC(=O)N(c1ccccc1)c1ccccc1 4681991 NOPIXUKCGBYFAA-KRWDZBQOSA-N 354.450 3.530 0 40 FHAB C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccncc1 7059161 OFZRWXLUELGCFE-SECBINFHSA-N 364.776 3.793 0 40 FHAB COCCc1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)cc1 8774520 XIVICBVPIBFFME-UHFFFAOYSA-N 357.435 3.856 0 40 FHAB O=C(NCc1ccco1)c1ccn(COc2c(Cl)cccc2Cl)n1 27972684 AQDBLJPQAIJTPU-UHFFFAOYSA-N 366.204 3.749 0 40 FHAB Cc1nc(N2CCC(C(=O)c3cc(F)ccc3F)CC2)c2cc[nH]c2n1 80948486 VIOYSMLWCURDKW-UHFFFAOYSA-N 356.376 3.644 0 40 FHAB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)NCc3cccs3)n2)cc1 9451536 ODWVJWDJCOSAKZ-GFCCVEGCSA-N 372.519 3.893 0 40 FHAB O=C(c1cn[nH]c1-c1cccc(Cl)c1)N1CCN(c2ccccc2)CC1 71768879 BITCHJSFUARJGV-UHFFFAOYSA-N 366.852 3.693 0 40 FHAB Cc1cc(CSc2nnc(-c3ccccc3Br)[nH]2)no1 9883688 IHVULKUFNDHZGM-UHFFFAOYSA-N 351.229 3.823 0 40 FHAB CCOC(=O)c1cnc2c(OC)cccc2c1OCc1csc(C)n1 97165080 CCPXLCCQUZGFOU-UHFFFAOYSA-N 358.419 3.764 0 40 FHAB Cc1nc(-c2ccccc2)cc(N2CCN(CCc3ccccc3)CC2)n1 94986183 UFNXQBMQFZKWSX-UHFFFAOYSA-N 358.489 3.817 0 40 FHAB COc1ccc(-c2nc(C(=O)N3CCC[C@@H](CCC(=O)O)C3)cs2)cc1 95992008 QVDYMZPGUJLPTR-ZDUSSCGKSA-N 374.462 3.536 0 40 FHAB CCOC(=O)c1ccc(-c2nnc(NC(=O)c3ccccc3Cl)o2)cc1 20496075 RGWFXCPMZIFMDN-UHFFFAOYSA-N 371.780 3.819 0 40 FHAB CCOc1ccc(NC(=O)CCC(=O)c2cc(OC)ccc2OC)cc1 408823447 FJNNAGDVLRLWHK-UHFFFAOYSA-N 357.406 3.704 0 40 FHAB CCN(CC)C(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 408768568 YKZVDMOJQSITAG-NRFANRHFSA-N 368.502 3.943 0 40 FHAB c1ccc(CCSCc2nnc3sc(-c4ccccn4)nn23)cc1 1501039916 LUWVAZWWFNXHEE-UHFFFAOYSA-N 353.476 3.724 0 40 FHAB Cc1ccc(OC2CCN(S(=O)(=O)c3ccsc3)CC2)cc1C 508838284 KYZZTZUTWCUOBS-UHFFFAOYSA-N 351.493 3.597 0 40 FHAB CCOc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2C)nc1C 1540165991 BRBGVTKLSWAWHO-UHFFFAOYSA-N 354.385 3.674 0 40 FHAB CCOc1ccc(N2CN(Cc3ccccc3)CNC2=S)cc1OCC 35678146 NOAPSMLOXSXTBY-UHFFFAOYSA-N 371.506 3.596 0 40 FHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc(F)cc1 224623892 SFROYUGFWBGDIX-KRWDZBQOSA-N 351.805 3.832 0 40 FHAB COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1COCC(C)C 224453727 TZOYXUPWACKYLN-UHFFFAOYSA-N 371.433 3.527 0 40 FHAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC)c(C(=O)OC)c1 225826371 RPOLFJIVFFLHJY-LJQANCHMSA-N 351.443 3.796 0 40 FHAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc[nH]1 224555219 SPDJOTPWTZGFBO-ZWKOTPCHSA-N 350.447 3.595 0 40 FHAB CC1(C)CCc2cc(S(=O)(=O)NCc3cccc(Cl)c3)ccc2O1 223744093 RHRNWPVZGWKADD-UHFFFAOYSA-N 365.882 3.922 0 40 FHAB Cc1ccc(CSCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 45872897 RHNYNMYNMZMHHV-HNNXBMFYSA-N 357.475 3.877 0 40 FHAB CC(C)n1cc(NC(=O)[C@@H](C)Oc2nn(-c3ccccc3)cc2Cl)cn1 227152890 WQCBRUXHIAUEFX-CYBMUJFWSA-N 373.844 3.709 0 40 FHAB Cc1nc(-c2cccc(NC(=S)NCCCn3ccnc3)c2)cs1 225180656 DOEWFUPSYFRGNA-UHFFFAOYSA-N 357.508 3.692 0 40 FHAB CCc1ccc(N([C@@H](C)C(=O)Nc2ccc(C)cc2C)S(C)(=O)=O)cc1 220260886 WMTIYYFVLLTPNN-INIZCTEOSA-N 374.506 3.659 0 40 FHAB CCNC(=O)c1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)cc1 46252272 QBVIYNNPSGCRCL-UHFFFAOYSA-N 374.824 3.503 0 40 FHAB O=C(c1ccc2c(c1)OCO2)N(CCc1cccs1)Cc1ccco1 75154758 TUVVFGJIGHCZDC-UHFFFAOYSA-N 355.415 3.955 0 40 FHAB COC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)COc2ccc(C)cc2)c1 225641150 SRHBXFVEKYBQHH-HNNXBMFYSA-N 372.490 3.844 0 40 FHAB COCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1 225567365 VDKVBKCWVPCBTK-UHFFFAOYSA-N 369.461 3.707 0 40 FHAB COc1ccccc1[C@H](CNC(=O)c1cc(Br)cs1)OC 96384806 BAGFKPPIPLBMFE-ZDUSSCGKSA-N 370.268 3.637 0 40 FHAB Cc1[nH]c(-c2cccc(Cl)c2)nc1C(=O)OCCOc1cccnc1 91443816 OJPRRLSNQMWMDX-UHFFFAOYSA-N 357.797 3.669 0 40 FHAB O=C(NC[C@@H]1CCCC[C@@H]1c1ccccc1)N1CCO[C@]2(CCCOC2)C1 333704781 SAXUVCRFSVTBSP-TUNNFDKTSA-N 372.509 3.551 0 40 FHAB O=C(c1cnco1)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257277123 NWNJXQJALPOTQW-OAHLLOKOSA-N 357.797 3.884 0 40 FHAB Cc1nc(Nc2nc(C)c(C)s2)cc([C@H]2CCN(C(=O)CC(C)C)C2)n1 257340905 ZIAHYVGTKCPKPT-HNNXBMFYSA-N 373.526 3.964 0 40 FHAB Cc1cc(C(=O)N2CC3(C[C@H](OCc4ccccn4)CS3)C2)sc1C 251976358 DQJIPLQZEMJIKE-INIZCTEOSA-N 374.531 3.677 0 40 FHAB C[C@]12CCCN(C(=O)c3cc(-c4ccccc4F)no3)[C@H]1CCCCN2 257288401 PUAXEUCCMDGJLF-ICSRJNTNSA-N 357.429 3.618 0 40 FHAB O=C(Nc1cc(Cl)ccc1OCC1CCC1)c1cnn2ccncc12 1329502266 CGBFXBPDEKPRQQ-UHFFFAOYSA-N 356.813 3.814 0 40 FHAB Cc1cccc(C(NC(=O)[C@@H]2CCCc3nn[nH]c32)c2cccc(C)c2)c1 612074132 FPRDYAYSKSDPFQ-GOSISDBHSA-N 360.461 3.747 0 40 FHAB Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)c1csc(C(C)(C)C)n1 670021213 YDUGCUGKVHYLME-AGUYFDCRSA-N 358.511 3.725 0 40 FHAB O=C(NCCn1nc(-c2ccncc2)cc1C1CC1)c1ccccc1Cl 96121648 ZNXJBKAAWFYSCO-UHFFFAOYSA-N 366.852 3.906 0 40 FHAB COc1ccc(CCC(=O)NC[C@H](O)c2ccc(-c3ccsc3)o2)cc1 390828955 CKQQEFLGCLOCFL-KRWDZBQOSA-N 371.458 3.799 0 40 FHAB O=c1c2sccc2c(Br)cn1Cc1cc(C2CC2)no1 664036192 YEZZFQWDGILGPI-UHFFFAOYSA-N 351.225 3.739 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)CSc1nnnn1-c1ccccc1 5042591 LHTFXBPXOAKGLZ-UHFFFAOYSA-N 367.478 3.825 0 40 FHAB Cc1c(-c2ccccc2)n[nH]c1C(=O)N[C@@H](c1ccccc1)c1ccnn1C 12147216 BIDCROTYUUTXLS-NRFANRHFSA-N 371.444 3.638 0 40 FHAB CCOc1ccc2[nH]c(=O)c(CNc3ccc(OC)cc3OC)cc2c1 12493211 YBVJGUOXIPYSFI-UHFFFAOYSA-N 354.406 3.556 0 40 FHAB COc1cccc(/C=C/C(=O)OCCOc2cccc(Cl)c2)c1OC 13005141 GUWIMQNTFMTWQW-MDZDMXLPSA-N 362.809 3.993 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)CCCOc1ccc(OC)cc1 14399945 FJYFNGBXVRSALS-UHFFFAOYSA-N 370.449 3.633 0 40 FHAB COc1cccc(-c2nnc(SCC(=O)Nc3ccccc3C)o2)c1 15669900 FFPGSCWHITYBAZ-UHFFFAOYSA-N 355.419 3.784 0 40 FHAB Cc1noc(C)c1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 16089062 OXMZBQVPHWDTQM-UHFFFAOYSA-N 356.447 3.683 0 40 FHAB COc1ccccc1CN1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(C)=O 19019534 ROAOSBYDCCOEHP-UFYCRDLUSA-N 370.518 3.593 0 40 FHAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2CN2CCCCC2)c(=O)[nH]1 19084412 PHQVMPRWFSUMTL-UHFFFAOYSA-N 367.493 3.911 0 40 FHAB CCc1nccn1C[C@@H](C)C(=O)N1CCC[C@@H](COc2ccccc2C)C1 19523533 GLKFQIIBXVMSSM-RTBURBONSA-N 369.509 3.708 0 40 FHAB Cc1csc([C@H](Cc2ccsc2)NC(=O)c2c(C)cc(C)[nH]c2=O)n1 19566660 CMDRVPQBMRKFKQ-AWEZNQCLSA-N 373.503 3.532 0 40 FHAB Cc1cccc2c(C(=O)NCCCn3cccn3)cc(-c3cccnc3)nc12 19716687 VOZWXWZDTXNFGE-UHFFFAOYSA-N 371.444 3.622 0 40 FHAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(CN3CCCC3=O)cc2)c1 19932597 PDPANODGEMMKPK-KRWDZBQOSA-N 350.462 3.917 0 40 FHAB CC(C)Oc1ccc(CN2CC[C@]3(CCc4ccccc4C(=O)N3)C2)cc1 19450620 ILDFKYYGUSVLOR-HSZRJFAPSA-N 364.489 3.795 0 40 FHAB Cc1ccc(-n2cnnc2SCC(=O)N(C)Cc2ccc(C)o2)c(C)c1 7098032 TUULVQAWAGWIHJ-UHFFFAOYSA-N 370.478 3.536 0 40 FHAB CCN(C(C)=O)c1nc(CN2CCCc3c(F)cc(F)cc32)cs1 29920909 KLBKPASSROXWPX-UHFFFAOYSA-N 351.422 3.747 0 40 FHAB Cc1ccccc1-c1noc(COC(=O)c2ccc3c(c2)OCCCO3)n1 32576578 GERGEUJYWZXVNX-UHFFFAOYSA-N 366.373 3.563 0 40 FHAB Cc1cc(C)cc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 3608491 WDLKFRLAKRFRLQ-UHFFFAOYSA-N 372.490 3.730 0 40 FHAB COc1ccc(OC)c(-c2nnc(NC(=O)CCc3ccccc3)s2)c1 4087725 GDCDLPGUBJYVGQ-UHFFFAOYSA-N 369.446 3.794 0 40 FHAB O=C(NCCSc1ncc(-c2ccc(F)cc2)[nH]1)c1ccccc1F 4315687 IXMPJDIIEVRKIT-UHFFFAOYSA-N 359.401 3.877 0 40 FHAB O=c1nc(SCc2ccccc2F)c2c(n1Cc1cccnc1)CCC2 4330218 ZOTFZRMJRIARGF-UHFFFAOYSA-N 367.449 3.607 0 40 FHAB COc1cccc2sc(N(CCN(C)C)C(=O)c3cccc(C)c3)nc12 5115505 ASHFLFNNFITPDM-UHFFFAOYSA-N 369.490 3.822 0 40 FHAB Cc1ccc(-c2noc(-c3nnn(-c4ccc(C(C)C)cc4)c3N)n2)cc1 6868182 UJDGQVNUWKYKIX-UHFFFAOYSA-N 360.421 3.998 0 40 FHAB Cc1ccc(N(C(=O)C2CCCCC2)[C@H]2C=CS(=O)(=O)C2)cc1Cl 7787178 ZWOSZKMSAWBURK-INIZCTEOSA-N 367.898 3.872 0 40 FHAB O=S(=O)(NC[C@@H](c1ccsc1)N1CCCC1)c1cccc(Cl)c1 8899571 KUFRRCBVUXOPEL-INIZCTEOSA-N 370.927 3.517 0 40 FHAB COc1ccc(-n2ccnc(NCc3ccc(C)cc3)c2=O)cc1Cl 9320256 QXBFSJNTZZAVDB-UHFFFAOYSA-N 355.825 3.815 0 40 FHAB Cc1cc(C)cc(N2N=N[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]32)c1 23125654 KGHKFAYCVGOENS-DLBZAZTESA-N 368.824 3.763 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccsc1)C1CC1 44446725 JBYRBZQPLAZOLL-UHFFFAOYSA-N 357.884 3.763 0 40 FHAB CCOC(=O)c1c(-c2ccccc2)oc2cc(C)c(NS(C)(=O)=O)cc12 11615739 HLBVZQTYJNUUHO-UHFFFAOYSA-N 373.430 3.956 0 40 FHAB CC(C)CN1CCC(C[C@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)O)CC1 12220148 GUGWQAMSAXAZMX-QGZVFWFLSA-N 362.445 3.532 0 40 FHAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccccc2)C1 77200257 FYWWCAXLFMDUFK-IAGOWNOFSA-N 374.462 3.525 0 40 FHAB CCOc1cc(CN[C@@H](c2ccccc2)c2nccn2C)ccc1OC 30643205 QHWOYLOGJIWTHN-FQEVSTJZSA-N 351.450 3.707 0 40 FHAB COc1ccc(CCNC(=O)c2[nH]c3ccccc3c2Cl)cc1OC 40143489 LROYMXPIKKWWKZ-UHFFFAOYSA-N 358.825 3.811 0 40 FHAB Cc1ccc(-c2csc3ncnc(N4C[C@@H](C(N)=O)CC[C@@H]4C)c23)cc1 40135304 UTXWMZYAWBERSW-ZFWWWQNUSA-N 366.490 3.757 0 40 FHAB Cc1nnc(NC(=O)c2cccnc2SCc2ccc(F)cc2)s1 40129288 MPRLFMIRQOGCRM-UHFFFAOYSA-N 360.439 3.925 0 40 FHAB CN(Cc1ccccc1OC(F)(F)F)C(=O)NCCc1ccccc1 31033304 NZVZXOHSYUJSCG-UHFFFAOYSA-N 352.356 3.969 0 40 FHAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C)cc2)N2C(=O)[C@@H](C)SC2=N1 2487090 IKKLHZSUPQFMNC-CZUORRHYSA-N 358.463 3.595 0 40 FHAB S=c1nc(-c2ccccc2)n(CCCN2CCOCC2)c2c1CCCC2 20390320 INLJGBZLHNFSTP-UHFFFAOYSA-N 369.534 3.881 0 40 FHAB CC[C@@H](NC(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1c(C)nn(C)c1C 81260167 WHJKNVUGUGCTBY-GOEBONIOSA-N 361.873 3.509 0 40 FHAB CC(C)(CC(=O)O)CC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 16482016 CSXWEQJELIXMJJ-UHFFFAOYSA-N 357.435 3.892 0 40 FHAB CCOC(=O)c1c(NC(=O)C(F)(F)C(F)F)sc2c1CC[C@H](C)C2 3136484 CBJVSOKRCWAYKL-ZETCQYMHSA-N 367.364 3.889 0 40 FHAB Cc1cccc(-n2nnnc2SCC(=O)Nc2ccccc2C(C)C)c1 3363860 VLOGIXTXRBOTOE-UHFFFAOYSA-N 367.478 3.825 0 40 FHAB CCc1nc2ccccc2c(C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)c1C 3474632 RLECMWYJTSOJSZ-RDTXWAMCSA-N 368.477 3.957 0 40 FHAB CCn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nnc1-c1ccccc1 3501574 GCLSLASPFJJNQW-HUUCEWRRSA-N 358.511 3.847 0 40 FHAB O[C@@H](CN1CCN(Cc2ccc(Cl)s2)CC1)c1ccc(F)cc1F 51261897 VNCNDDCERHDSKX-INIZCTEOSA-N 372.868 3.531 0 40 FHAB C[C@H](NC(=O)[C@]1(C)CC1(Br)Br)c1ccccc1 4714231 IDVKVUZYDPROIM-CABZTGNLSA-N 361.077 3.760 0 40 FHAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@H]3c2ccccc2Cl)nn1 32091899 DDGVWMCTELJXFY-LBPRGKRZSA-N 369.812 3.756 0 40 FHAB COc1ccccc1OCC(=O)OCc1nc(-c2cccc(Cl)c2)no1 6992744 CQXQIMLAJMAZIP-UHFFFAOYSA-N 374.780 3.521 0 40 FHAB C[C@H]1Sc2ccc(C(=O)NCC3(c4ccccc4)CC3)cc2NC1=O 11749519 NHVHQTCIHMEXEB-CYBMUJFWSA-N 352.459 3.581 0 40 FHAB COC(=O)c1ccc(-c2ccc(CNCc3ccc4c(c3)OCO4)o2)cc1 7539030 OQZXAIRDKYBTFV-UHFFFAOYSA-N 365.385 3.752 0 40 FHAB COc1ccc(NC(=O)[C@H]2CC(O)=Nc3cc(-c4ccccc4)nn32)cc1 20732769 PGDULXLIJBFXIT-QGZVFWFLSA-N 362.389 3.730 0 40 FHAB CC1CCN(C[C@@H]2CCCN(C(=O)[C@H](C)OCc3ccccc3)C2)CC1 60275018 WGTILHOOMYKTLU-FPOVZHCZSA-N 358.526 3.562 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C)n2C)cc1 10264401 YTHFJTNGDVSPGS-UHFFFAOYSA-N 352.463 3.830 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)cc1 10331638 SSAASNMAOQTHEK-UHFFFAOYSA-N 372.490 3.858 0 40 FHAB COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1C(C)C 8480956 IHDTWLUWBMGITP-UHFFFAOYSA-N 353.871 3.951 0 40 FHAB CNC(=O)c1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1 8985162 LBPRJHMUPNFKNH-UHFFFAOYSA-N 360.413 3.878 0 40 FHAB CCN1CCc2nc(NC(=O)CCC(=O)c3ccc(C)c(C)c3)sc2C1 21296552 POTMGLRLIORGHT-UHFFFAOYSA-N 371.506 3.740 0 40 FHAB COc1cc([C@H](C)Nc2nccc(C(F)(F)F)n2)cc(OC)c1OC 52243105 BCLLUSRCXGYLKG-VIFPVBQESA-N 357.332 3.694 0 40 FHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc2cc(F)ccc2[nH]1 32759858 UPRAFHUNGJLXTD-UHFFFAOYSA-N 362.408 3.824 0 40 FHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(OCc2cccs2)cc1 32815955 DMQUTEPXADLLKQ-UHFFFAOYSA-N 365.414 3.749 0 40 FHAB FC(F)n1ccc(-c2nnc(Nc3ccn(Cc4ccccc4)n3)s2)n1 2730117 MAYCCNBNIXMJGB-UHFFFAOYSA-N 373.392 3.785 0 40 FHAB COC(=O)c1ccc2c(c1)[C@@H]1C[C@@](C)(O2)N(c2cc(C)cc(C)c2)C(=O)N1 101085154 LWBUJUNMUGSLDL-LAUBAEHRSA-N 366.417 3.860 0 40 FHAB CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OC(C)=O 630536 RQKBJVGJESGCIQ-UHFFFAOYSA-N 366.369 3.719 0 40 FHAB biogenic C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1 59477990 YOGLDSQRRRSAPG-GOEBONIOSA-N 356.853 3.613 0 40 FHAB CN1C(=O)c2ccc(C(=O)OCc3ccc(Cl)c(Cl)c3)cc2C1=O 22521274 RSPXWHZJCYUNPZ-UHFFFAOYSA-N 364.184 3.576 0 40 FHAB O=S(=O)(NCC1(c2ccccc2)CCC1)c1ccc(F)c(F)c1F 58411706 VBRQLUSIZHGOFP-UHFFFAOYSA-N 355.381 3.504 0 40 FHAB CC(C)Oc1ccc(C(=O)NCc2ccccc2CN2CCCC2)cc1 24189669 ONXZTXNCZDIXMC-UHFFFAOYSA-N 352.478 4.000 0 40 FHAB CCOC(=O)C1=C(C)NC(=O)C[C@H]1c1cccc(Oc2ccccc2)c1 844282 RUEQGPRFNFSALH-SFHVURJKSA-N 351.402 3.920 0 40 FHAB Cc1ccc(N2C(=O)C(Cl)=C(N3CCc4ccccc4C3)C2=O)c(C)c1 956435 RPGVOBLDANZXFC-UHFFFAOYSA-N 366.848 3.685 0 40 FHAB CC(C)(C)c1nnc(SCC(=O)N2CCC[C@H]2c2cccs2)o1 42569237 TYLQKAOJMXIPSN-NSHDSACASA-N 351.497 3.884 0 40 FHAB Cc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccn2)C3=O)c1C 1010678 AQTQNZQQNAGVNM-UHFFFAOYSA-N 371.396 3.751 0 40 FHAB O=C(Nc1ccccc1F)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 23718688 FUUHLWOEAHXRPS-UHFFFAOYSA-N 368.334 3.594 0 40 FHAB O=C(CNC(=O)c1ccc(-c2ccc(Cl)cc2)s1)NCc1ccco1 24180737 XZGJBWJZORCOSM-UHFFFAOYSA-N 374.849 3.708 0 40 FHAB CC(C)(C)C(=O)Nc1cccc(NCC(=O)NCc2ccccc2F)c1 24361215 PUSJOPBMZIDKFU-UHFFFAOYSA-N 357.429 3.539 0 40 FHAB Nn1cc(-c2ccccc2)nc1SCc1nnc(-c2cccs2)o1 8216142 LHEXGYUICSHHAG-UHFFFAOYSA-N 355.448 3.668 0 40 FHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@H]1CCCc2c1cnn2C 24991757 XYNJSTPXFUZEJP-ZDUSSCGKSA-N 374.510 3.582 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2ccco2)o1 3283500 PEDCEKHUYLCPHY-CYBMUJFWSA-N 357.435 3.559 0 40 FHAB O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 25145161 IQPXHMCCMYRDES-GYSYKLTISA-N 372.412 3.727 0 40 FHAB C[C@H]1CN(C(C)(C)CNC(=O)c2ccc3c4c(cccc24)CC3)C[C@H](C)O1 25408771 ZVAAMMZUONRVCF-HOTGVXAUSA-N 366.505 3.556 0 40 FHAB CSc1ccc(Cl)c(C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)c1 3289701 WCPPMXNMIUNZOP-XHDPSFHLSA-N 355.887 3.914 0 40 FHAB Cc1cc(OCC(=O)Nc2cccc(Cl)c2)nc(N2CCC(C)CC2)n1 44169190 QSPUURHFXFEXKC-UHFFFAOYSA-N 374.872 3.692 0 40 FHAB C[C@@H](CC(=O)Nc1ccc(CC(N)=O)cc1)c1ccc(C(F)(F)F)cc1 57387249 CHCOCRDARFQZFX-LBPRGKRZSA-N 364.367 3.866 0 40 FHAB CCCn1ccnc1SCC(=O)Nc1cc(C)nn1-c1ccc(C)cc1 12604256 FMMGMZOSOUYLBO-UHFFFAOYSA-N 369.494 3.826 0 40 FHAB COc1ccc(-c2cnn3c2N=C(O)C[C@@H]3C(=O)Nc2ccccc2)cc1 35685107 CROVIRWZMAGZBK-QGZVFWFLSA-N 362.389 3.730 0 40 FHAB COC(=O)c1cc(CSc2nnc(-c3ccc(OC)cc3)o2)oc1C 3365478 ZETGPPHYULCIJO-UHFFFAOYSA-N 360.391 3.726 0 40 FHAB Cc1ccc(CN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C(C)C)o1 58216929 SNRIITWNZZWSSZ-UHFFFAOYSA-N 369.870 3.696 0 40 FHAB CN(Cc1cccnc1)C[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1 58330188 IBSXGVNJGXOFTN-QGZVFWFLSA-N 356.445 3.597 0 40 FHAB CCC[C@H]1CCCN(C(=O)NCC(=O)Nc2ccc(OCC)cc2)CC1 58394382 KQMIZYDPRFOLOG-INIZCTEOSA-N 361.486 3.636 0 40 FHAB CS(=O)(=O)c1cccc(NC(=O)c2csc(-c3cccs3)n2)c1 12777942 VSROURPQJCRWAW-UHFFFAOYSA-N 364.473 3.527 0 40 FHAB O=C(Nc1cccc(N2CCOC2=O)c1)c1csc(Br)c1 36393760 ZTRVTXTVEIPAKE-UHFFFAOYSA-N 367.224 3.720 0 40 FHAB COc1ccc2nc(SCCOC(=O)c3ccccc3)nc(C)c2c1 2342594 AILACSJIFXKIDJ-UHFFFAOYSA-N 354.431 3.896 0 40 FHAB Cc1nc2cc(F)cc(C(=O)N[C@@H]3CCOc4ccccc43)c2nc1C 48304020 NGLYHQJMNWZUKM-MRXNPFEDSA-N 351.381 3.639 0 40 FHAB CON(C)C(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1 12858249 YCDLRWMNQWJEGX-ZHACJKMWSA-N 353.447 3.693 0 40 FHAB Cc1ccc2c(CC(=O)N(CCC(N)=O)c3ccccc3)coc2c1C 12936579 PEPVKUDWTLLKTB-UHFFFAOYSA-N 350.418 3.501 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)N(C)C(=O)c1cnccn1 3615075 HFNFIIKIOUSQLL-FQEVSTJZSA-N 374.444 3.545 0 40 FHAB CCOc1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2OC)cc1OCC 23952458 UVKGMGMZUIUSNL-AWEZNQCLSA-N 373.449 3.992 0 40 FHAB CON(C)C(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C 13007422 KROZWXYWUQQYGU-UHFFFAOYSA-N 358.467 3.991 0 40 FHAB Cc1ccc(COc2ccc(CO)cc2I)cc1 34772837 YUZWNJFRKLSWCU-UHFFFAOYSA-N 354.187 3.671 0 40 FHAB COc1cc(OC)c(NC(=O)CC2(C(=O)O)CCCCC2)cc1Cl 13251623 XHPFINNQASAOPA-UHFFFAOYSA-N 355.818 3.721 0 40 FHAB CC(C)c1ccc(C2N3CC4(C)CN2CC(c2ccccc2)(C3)C4=O)cc1 19323647 OOLVXQMTYHVBJY-UHFFFAOYSA-N 360.501 3.967 0 40 FHAB biogenic CSCc1nn(CN(C)Cc2nc3ccccc3s2)c(=S)o1 14139336 YLZTVWSPUQNQSY-UHFFFAOYSA-N 352.510 3.768 0 40 FHAB O=S(=O)(Nc1ccccc1OCC(F)(F)F)c1ccc2c(c1)CCC2 14205752 UMNXXMMYLGXKTF-UHFFFAOYSA-N 371.380 3.917 0 40 FHAB CN(C)[C@H](CNC(=O)c1ccc(SC(F)(F)F)cc1)c1ccco1 14202145 HSQWKXVKTXQPDG-CYBMUJFWSA-N 358.385 3.924 0 40 FHAB CC(C)CC(=O)Nc1scc(-c2ccccc2)c1C(=O)N1CCOCC1 4603265 XTYULCULVXGFMS-UHFFFAOYSA-N 372.490 3.872 0 40 FHAB Cc1cccc(C[C@@H](C(=O)Nc2cccc3ccccc23)c2nn[nH]n2)c1 5519772 FZMVMQJESQZHQI-GOSISDBHSA-N 357.417 3.626 0 40 FHAB CC[C@@H](CO)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 5523538 YSIYCFIGNYJXJV-INIZCTEOSA-N 369.852 3.693 0 40 FHAB CC(C)n1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccco1 4736131 FAGMXDOCCMPVDI-UHFFFAOYSA-N 360.414 3.989 0 40 FHAB COC(=O)c1ccc(-c2ccc(/C=C3\SC(=O)NC3=O)o2)cc1Cl 408813768 OVKCJBHRCFXZOM-QPEQYQDCSA-N 363.778 3.711 0 40 FHAB Cc1sc(NC(=O)C2CC2)c(C(=O)OCC(=O)c2ccccc2)c1C 7282937 BHLSBSPCXRMYJR-UHFFFAOYSA-N 357.431 3.753 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)Sc2nnc3cc(C)c4ccccc4n23)no1 7200372 DLXADGJADVMSDJ-GFCCVEGCSA-N 367.434 3.607 0 40 FHAB COc1ccc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)cc1F 7599770 BDVUFYRSSPDVQC-UHFFFAOYSA-N 362.744 3.895 0 40 FHAB O=C(N[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F)[C@@H]1COCCO1 93021631 CFODXWYKYMYRDZ-OIISXLGYSA-N 371.399 3.653 0 40 FHAB O=C(CCn1c(-c2cccs2)n[nH]c1=S)NCc1ccc(F)cc1 9364507 DMTFAVZZSBLKGW-UHFFFAOYSA-N 362.455 3.515 0 40 FHAB Brc1ccc(-c2nnc(Cn3cnc4ccccc43)o2)cc1 9367259 UYOOZIQKHJYAKQ-UHFFFAOYSA-N 355.195 3.897 0 40 FHAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1cccc2cccnc12 9533419 LAOHCPUQNBRGRB-UHFFFAOYSA-N 374.227 3.910 0 40 FHAB CC(C)[C@H](Sc1nncn1C(C)C)C(=O)N[C@H]1CCOc2ccccc21 89791033 CLXVRVLUVPDLPD-RDJZCZTQSA-N 374.510 3.616 0 40 FHAB C[C@@H](NC(=O)CCC(=O)Nc1ccnn1C1CCCCC1)c1ccccc1 89905569 XCIVWKMXLFGCPG-MRXNPFEDSA-N 368.481 3.984 0 40 FHAB COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1cccc(F)c1 9646337 RLBUNLSHDQKONZ-UHFFFAOYSA-N 365.407 3.628 0 40 FHAB COc1ncccc1CNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 83915319 OIEUFJQXNJDMIP-ZIAGYGMSSA-N 350.340 3.529 0 40 FHAB O=C(Nc1cnc2ccccc2c1)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 72276913 SHJFWGGPEOLOCO-LJQANCHMSA-N 373.456 3.655 0 40 FHAB CCCN(CCC)Cc1cc(C(=O)NCC2(c3ccccc3)CC2)no1 79111992 XPNWSSLDLHAVGG-UHFFFAOYSA-N 355.482 3.758 0 40 FHAB COc1ccc(-c2nc(CN(CCO)[C@H]3CCc4ccccc43)co2)cc1 74311691 PCZGWBOENOQWOB-NRFANRHFSA-N 364.445 3.832 0 40 FHAB CCc1nnc(NC(=O)c2cc3cc(Br)ccc3o2)s1 32502371 UTOBNJXEXUSWLE-UHFFFAOYSA-N 352.213 3.862 0 40 FHAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(C)s3)C2=O)o1 33555041 KUOVJJLYPKEBEB-NTUHNPAUSA-N 363.416 3.673 0 40 FHAB Fc1ccc(-c2cn3[nH]c(=NCc4noc5ccccc45)sc3n2)cc1 521702603 BKUXDHIJLGKJPR-UHFFFAOYSA-N 365.393 3.772 0 40 FHAB CC(C)Cc1ccccc1CNC(=O)N[C@@H]1CCC[C@@H](N2CCCC2=O)C1 528043168 LPXCINDCDONUQV-WOJBJXKFSA-N 371.525 3.618 0 40 FHAB CCN(Cc1ccccc1)C(=O)c1n[nH]nc1Nc1ccc(Cl)cc1 67284273 OLONFVNWCIIMRQ-UHFFFAOYSA-N 355.829 3.864 0 40 FHAB Oc1cc(C2CCN(Cc3ccc(F)cc3)CC2)nc(-c2ccncc2)n1 72392690 SVUHUXHDDIZJHP-UHFFFAOYSA-N 364.424 3.763 0 40 FHAB O=C(Nc1nn2c(-c3ccc(Cl)cc3)nnc2s1)c1ccc(F)cc1 41076528 BDBXPYOVVZUXDK-UHFFFAOYSA-N 373.800 3.898 0 40 FHAB COc1cccc(-c2cc(C(=O)NCCCC(=O)O)c3ccccc3n2)c1 71284965 YNELPLTXXFZPSJ-UHFFFAOYSA-N 364.401 3.505 0 40 FHAB COc1ccc(C(=O)N2C(=S)C(c3ccc(F)cc3)=NC2(C)C)cc1 45932793 OCFQXINQGAXVMG-UHFFFAOYSA-N 356.422 3.843 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 226041770 IDJCJTUDWDKWJS-UHFFFAOYSA-N 356.765 3.657 0 40 FHAB CC(C)(C)OC(=O)NC1CCN(C(=O)CCc2ccccc2Cl)CC1 47524181 BXQLKCFBQYCHCJ-UHFFFAOYSA-N 366.889 3.788 0 40 FHAB O=C(CSc1cc(N2CCCC2)ncn1)Nc1ccc(F)c(Cl)c1 44112137 FCXZPPHSVKKYIE-UHFFFAOYSA-N 366.849 3.600 0 40 FHAB Cc1nc([C@H]2COCCN2C(=O)CCc2ccccc2Cl)cs1 96217614 SYKAUKKIEQFFNF-MRXNPFEDSA-N 350.871 3.638 0 40 FHAB CCc1cc(C(=O)N2CCCC[C@H]2c2nnc(-c3ccccc3F)o2)n[nH]1 583621535 YPHVPORLASTUSQ-INIZCTEOSA-N 369.400 3.529 0 40 FHAB Cc1csc(Nc2nccnc2C2CCN(CC3CCOCC3)CC2)n1 257310892 UHBLFPGFGUBXLK-UHFFFAOYSA-N 373.526 3.591 0 40 FHAB CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)c1nnn(C(C)(C)C)n1 622777424 RELMHIFPKRECBR-CYBMUJFWSA-N 371.485 3.759 0 40 FHAB c1cc(-c2noc(-c3csc(-c4ccco4)n3)n2)nc(-n2cccn2)c1 1116590987 MQMDMFCNGQKKLW-UHFFFAOYSA-N 362.374 3.701 0 40 FHAB O=C(Nc1ccc(-c2ncco2)cc1)N[C@H](C[C@@H]1CCCO1)C(F)(F)F 654025941 VMBVQEPYUCBRIV-UONOGXRCSA-N 369.343 3.963 0 40 FHAB C[C@@H](NC(=O)Nc1cccnc1-c1cnn(C)c1)C1CCC(F)(F)CC1 654044743 FIGGUWIYQYHBAC-GFCCVEGCSA-N 363.412 3.818 0 40 FHAB CCCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccncc3)=NN12 5296145 QZJUSLSPHLPBGZ-FQEVSTJZSA-N 362.477 3.827 0 40 FHAB O=C(NC1(c2ccccc2F)CCCC1)c1cccc(-n2cnnc2)c1 12148413 WWBXMOPIMDDOPS-UHFFFAOYSA-N 350.397 3.606 0 40 FHAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 12535983 QLHCPXFGFKEZNA-UHFFFAOYSA-N 372.490 3.677 0 40 FHAB O=C(NCCN(Cc1ccccc1)Cc1ccccn1)c1cccs1 13991082 QCAROJUCGFTOGH-UHFFFAOYSA-N 351.475 3.575 0 40 FHAB CCCc1nc2cc(NC(=O)[C@@H]3OCOc4ccccc43)ccc2n1C 13996109 RWMITWHBANNNBK-LJQANCHMSA-N 351.406 3.572 0 40 FHAB CCc1[nH]c(=O)c(C(=O)Nc2ncc(Cc3ccccc3F)s2)cc1C 19521488 SZEBEBQWWBJFBQ-UHFFFAOYSA-N 371.437 3.684 0 40 FHAB COc1ccc(CC(=O)N2CCC[C@H](c3cc4ncccc4[nH]3)C2)cc1F 19559562 QSGSCBZYIDXPOT-HNNXBMFYSA-N 367.424 3.659 0 40 FHAB COc1ccc(C(=O)N2CCC(c3cc4cnccc4[nH]3)CC2)cc1OC 19559826 HSHPZGHLEPKXKA-UHFFFAOYSA-N 365.433 3.600 0 40 FHAB Cc1nc(-c2ccccc2F)sc1C(=O)N[C@@H](C)c1cnn(C)c1C 19714416 CMFLXQWQQGGBFM-JTQLQIEISA-N 358.442 3.791 0 40 FHAB FC(F)(F)c1cc(N2CC[C@H](COc3ccc(C4CC4)nn3)C2)ccn1 1888846746 CNMUJDZYYXGNQM-LBPRGKRZSA-N 364.371 3.673 0 40 FHAB Cc1nc(C2CCC2)cc(N2CCN(c3nc4ccc(F)cc4o3)CC2)n1 1888914042 KWVDCWKQIZBIQY-UHFFFAOYSA-N 367.428 3.659 0 40 FHAB CCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)O[C@H](C)C(C)(C)C 706459 YSPKMEHEJZOWNY-DYVFJYSZSA-N 360.454 3.691 0 40 FHAB Cc1ccc(NC(=O)CSc2ccc(-c3cccnc3)nn2)c(C)c1 4391905 DMVFGVNEBXPJPO-UHFFFAOYSA-N 350.447 3.886 0 40 FHAB COc1ccccc1-c1nnc(NC(=O)c2ccc(OC(C)C)cc2)o1 4329798 SSYOSXZKYVDRIU-UHFFFAOYSA-N 353.378 3.785 0 40 FHAB COc1ccc(C)cc1NC(=O)c1ccc(=O)n(Cc2cccc(F)c2)c1 7573859 MLCLDXYYRUSLMY-UHFFFAOYSA-N 366.392 3.605 0 40 FHAB Cc1nc2ccc(NC(=O)c3ccco3)cc2c(=O)n1-c1ccc(F)cc1 23143858 DWGMIQVXGXUONO-UHFFFAOYSA-N 363.348 3.679 0 40 FHAB O=Cc1cn(CC(=O)NCc2ccccc2)c2ccc(Br)cc12 6756944 MKNPYAFVSLSMRY-UHFFFAOYSA-N 371.234 3.533 0 40 FHAB O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCCC2)nc1 40068236 ORMBTLQTYOSMJD-UHFFFAOYSA-N 363.383 3.560 0 40 FHAB C[C@H](Sc1nncs1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 40134953 BHDMFWMHPSWYRF-JTQLQIEISA-N 363.464 3.699 0 40 FHAB Cc1cc2ncc(C(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)c(C)n2n1 30765743 JHRXVSKHTJLVRT-HILYYZTDSA-N 352.482 3.681 0 40 FHAB Cc1cc2cc(C)c3nnc(SCC(=O)N4CCCCC4)n3c2cc1C 1223232 BIEMULNTVHYSKV-UHFFFAOYSA-N 368.506 3.912 0 40 FHAB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(NCCOC)c23)CO1 2448026 POQDGEBZYVKQNJ-INIZCTEOSA-N 353.513 3.713 0 40 FHAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(-c2nc3ccccc3o2)cc1 4838144 UTYYWKJUOSJCDE-SLDRDFCHSA-N 356.381 3.806 0 40 FHAB O=C1CCCN1c1ccc(NC(=S)NCCSc2ccccc2)cc1 7369489 XFOPXFJPAANDES-UHFFFAOYSA-N 371.531 3.892 0 40 FHAB O=C(/C=C/c1ccc2ccccc2n1)OCc1cc(=O)oc2cc(O)ccc12 7990480 MTCGBXGVSKFPFD-JXMROGBWSA-N 373.364 3.803 0 40 FHAB CCCc1sc(C(=O)O[C@H](C)C(=O)Nc2cc(C)on2)cc1CC 11877626 VNYGSECNWNQQCC-LLVKDONJSA-N 350.440 3.743 0 40 FHAB O=C(COc1cccc(Cl)c1)N1CCN(c2cccc(Cl)c2)CC1 8015607 PFNZBHJTOBIVST-UHFFFAOYSA-N 365.260 3.721 0 40 FHAB CC[C@H]1CCc2c(sc3nc(-c4ccc(C(=O)O)cc4)[nH]c(=O)c23)C1 2637185 XHGCRGNOUURQTN-JTQLQIEISA-N 354.431 3.865 0 40 FHAB O=C(NCCCCCc1nc(-c2cccs2)no1)c1ccc[nH]c1=S 10137411 DBPTYKKKZADMAV-UHFFFAOYSA-N 374.491 3.998 0 40 FHAB Cc1cc2oc(=O)cc(COC(=O)c3cccc(N(C)C)c3)c2cc1C 2663617 MVYBWJKUQXDBEC-UHFFFAOYSA-N 351.402 3.833 0 40 FHAB Cc1ccc2c(c1)nc1s/c(=C\c3ccc(Br)cc3)c(=O)n12 9187953 OAZMOPKZUYXJAO-DHDCSXOGSA-N 371.259 3.528 0 40 FHAB O=c1[nH]c(CN2CCCc3cccc(F)c32)nc2sc3c(c12)CCC3 32906858 MGAXCZHFGZOPQT-UHFFFAOYSA-N 355.438 3.565 0 40 FHAB COc1cccc(NC(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)c1 9737431 DFXJSQVBUPCGBC-UHFFFAOYSA-N 368.462 3.954 0 40 FHAB CCOc1ccc(C(=O)Nc2cc3c4c(c2)[C@@H](C)C(=O)N4CCC3)cc1 101078546 HBOVERGVEHEWRG-CYBMUJFWSA-N 350.418 3.734 0 40 FHAB CCc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C)cc1 779351 LDOOFFZFOLKEIA-UHFFFAOYSA-N 358.492 3.837 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc(C(=O)N2CCCC2)cc1 22865035 PGSBKICZKPXABI-UHFFFAOYSA-N 361.445 3.975 0 40 FHAB CC[C@@H](C)NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 23016266 VFLAQGWIHWFZCD-SNVBAGLBSA-N 363.811 3.885 0 40 FHAB O=C(Nc1ccc2oc(=O)ccc2c1)c1cc(F)ccc1Br 54252526 CXTFQZGMDCPCIZ-UHFFFAOYSA-N 362.154 3.947 0 40 FHAB Cc1ccc(OC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1C 990400 QBXGHGCTUDIJIX-UHFFFAOYSA-N 373.474 3.616 0 40 FHAB CC(=O)Nc1ccc(N[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 23864713 KJECPEQHWBHGSE-SNVBAGLBSA-N 356.451 3.733 0 40 FHAB CCOc1ccc(CN(C)CN2C(=O)NC3(CCCCCCC3)C2=O)cc1 23995815 PMYWQYLJTWDOJA-UHFFFAOYSA-N 373.497 3.510 0 40 FHAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)C1C[C@H]2CCC[C@H](C1)C2=O 102905006 LWRHDIOFSLOPEI-CHWSQXEVSA-N 364.825 3.550 0 40 FHAB NC(=O)CCOc1ccccc1NC(=O)c1ccc(SC(F)F)cc1 43244893 QYIJBNUOQZUATP-UHFFFAOYSA-N 366.389 3.508 0 40 FHAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1OC 20492234 CFWVEBICUMXXHC-LBPRGKRZSA-N 374.462 3.782 0 40 FHAB CCOc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1Br 20142328 NOYROQWGFBXTCX-UHFFFAOYSA-N 364.195 3.798 0 40 FHAB COC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nc1 25620349 AHOXPPJHULCKTF-SECBINFHSA-N 353.205 3.666 0 40 FHAB c1ccc(-c2ccc3nnc(C4CCN(Cc5ccco5)CC4)n3n2)cc1 306139125 SPZKTHGTQHLJLG-UHFFFAOYSA-N 359.433 3.764 0 40 FHAB CC[C@@H](C)NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 2148632 MOMNEJHZRCXDNX-CQSZACIVSA-N 351.402 3.754 0 40 FHAB biogenic CCc1sc(C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1C 58218272 KDFNRPRVGFEWSH-UHFFFAOYSA-N 371.506 3.573 0 40 FHAB O=C(Nc1nc2ccc(F)cc2s1)c1ccc(Cn2cccn2)cc1 10642553 BJKYVQLHWGRYIJ-UHFFFAOYSA-N 352.394 3.933 0 40 FHAB CCc1ccc(CCC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1 10656496 DDSMEFPMSDLKEI-OAQYLSRUSA-N 365.452 3.960 0 40 FHAB COc1cc(C)ccc1Oc1ccc(NC(=O)NCc2cccnc2)cn1 48239917 LWHSGAQGJZRASB-UHFFFAOYSA-N 364.405 3.908 0 40 FHAB Cc1ccc(-c2noc([C@H](C)N3CCN(CCC(C)C)CC3)n2)cc1F 48366498 LUNABOSJJPCHRV-INIZCTEOSA-N 360.477 3.909 0 40 FHAB O=C(CSc1nnc(-c2cccs2)o1)Nc1c(F)cccc1F 3475084 MLGVHXYEPWNCBW-UHFFFAOYSA-N 353.375 3.807 0 40 FHAB CC(=O)Nc1ccc(SCC(=O)c2ccc(CN(C)C(C)=O)cc2)cc1 12941149 OOQIHBOTDDWCFR-UHFFFAOYSA-N 370.474 3.598 0 40 FHAB COc1ccc([C@H]2CCCCCN2C(=O)CNC(=O)c2cccs2)cc1 12939296 WUBDOFHULCIAMT-QGZVFWFLSA-N 372.490 3.630 0 40 FHAB COc1ccccc1NC(=O)[C@H](C)Oc1ccc(F)c2c1C(=O)C[C@@H]2C 12931337 LXOJAOMPNGZIIY-RYUDHWBXSA-N 357.381 3.930 0 40 FHAB COc1cc(C(=O)Nc2nccs2)ccc1OCc1c(C)noc1C 3549607 JEGWQZMDHIJTEL-UHFFFAOYSA-N 359.407 3.588 0 40 FHAB CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(Cl)cc1Cl 8830432 LWLWWVULVLBARG-ZDUSSCGKSA-N 359.278 3.692 0 40 FHAB COc1ccc(S(=O)(=O)NCc2ccccc2Cl)c2ccccc12 16780191 KEYHMEFEEMVWPQ-UHFFFAOYSA-N 361.850 3.980 0 40 FHAB C[C@H](NC(=O)COc1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1 16962938 ULKQNZQBPZGWDK-AWEZNQCLSA-N 372.852 3.723 0 40 FHAB CCN(CC)C(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 5237625 XHEIIWMQIOTLQC-UHFFFAOYSA-N 373.503 3.612 0 40 FHAB Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccncc2)n1 5323701 WNNWXBSHYREQGA-IBGZPJMESA-N 369.380 3.641 0 40 FHAB CC(=O)c1ccccc1NC(=O)CSc1ccc2c(c1)OCCCO2 6436800 QZYBCWQCGUZGFW-UHFFFAOYSA-N 357.431 3.781 0 40 FHAB COc1ccc2c(CC(=O)Nc3cccc(N4CCCC4=O)c3)coc2c1 14186493 KSWNTSJSHDICSV-UHFFFAOYSA-N 364.401 3.749 0 40 FHAB O=C(Cc1csc(NC(=O)c2ccco2)n1)NC1CCCCCCC1 14171125 YVPGRGNCXRHESL-UHFFFAOYSA-N 361.467 3.760 0 40 FHAB CCc1ccc(CNC(=O)C(=O)NC2CCC(C(C)(C)CC)CC2)cc1 408707926 SXFLJVHOKQNSRI-UHFFFAOYSA-N 358.526 3.976 0 40 FHAB CN1C[C@@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CC1=O 6662475 JYRLWJABJUULNR-LBPRGKRZSA-N 357.816 3.823 0 40 FHAB COc1cc(/C=C/c2cc(C(=O)O)c3ccccc3n2)cc(OC)c1O 6639688 CJRVDKIOBOBPTM-BQYQJAHWSA-N 351.358 3.826 0 40 FHAB CCCCN(CC)C(=O)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(C)cc23)C1 18217664 XUCCXXWYHTWPOP-SFHVURJKSA-N 369.509 3.516 0 40 FHAB COc1cccc(C(=O)CSc2nnc(-c3ccc(C)cc3)n2C)c1 9582604 RSIMMYZALKRNPM-UHFFFAOYSA-N 353.447 3.774 0 40 FHAB Clc1ccc(C2=NN=C(NCc3ccc4c(c3)OCO4)SC2)s1 9217552 JKVBXHFABMSWHO-UHFFFAOYSA-N 365.867 3.727 0 40 FHAB Cc1nn(C)c2c1[C@H](c1ccc(OCc3ccccc3F)cc1)CC(=O)N2 96335699 ZITPSWVBRSHBOG-KRWDZBQOSA-N 365.408 3.921 0 40 FHAB COC(=O)c1cccc(CNC2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)c1 97141079 BYBXZNBCRKUFQA-QZTJIDSGSA-N 366.505 3.719 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1nc(-c2cccs2)no1 68018055 QMNWDIKAZPHTQX-SNVBAGLBSA-N 363.826 3.535 0 40 FHAB Cn1cc([C@H]2C[C@@H]2C(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)cn1 60247393 WBFYWETYWZVFAD-OLZOCXBDSA-N 352.265 3.882 0 40 FHAB CC[C@H](C)n1cc(I)c(COCC(F)(F)F)n1 408716285 KYNLNOWWGZLKPT-ZETCQYMHSA-N 362.133 3.538 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)NCCOc1cccc2ccccc12 71966840 ROYXAFHLRMJQSU-UHFFFAOYSA-N 363.413 3.696 0 40 FHAB CC(C)CNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 216416845 UGXXONAALMTNGA-UHFFFAOYSA-N 366.870 3.527 0 40 FHAB Cn1ncc(Cl)c1-c1nnc2sc(-c3cccc(Cl)c3)nn12 72403635 PEIIDAMHPZDTLW-UHFFFAOYSA-N 351.222 3.560 0 40 FHAB Cc1sc2ncnc(SCCC(=O)NCc3cccnc3)c2c1C 40266879 WDQOSORHBFZQAB-UHFFFAOYSA-N 358.492 3.502 0 40 FHAB Cc1ccccc1CC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NC(C)C 225496107 AUQJOBBUYIMMJP-IBGZPJMESA-N 366.505 3.788 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2)cc1Cl 224912429 GKAZUOCZPJRBQQ-UHFFFAOYSA-N 366.870 3.750 0 40 FHAB Cc1ccc2c(c1)N(Cc1nc(-c3ccc(Cl)c(F)c3)no1)C(=O)CO2 44166704 AIPFEEPFIXDXFD-UHFFFAOYSA-N 373.771 3.763 0 40 FHAB CN1CC[C@H](NC(=O)Nc2nc(C3CCC3)cs2)[C@@H]1c1ccccc1 570271105 PMLHXGFSLLPOIZ-RDJZCZTQSA-N 356.495 3.978 0 40 FHAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 223665793 DJXGNKBZXAFMCV-CQSZACIVSA-N 357.475 3.930 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3C)[nH]n2)cc1 223254983 BELARAIMFSMZCJ-UHFFFAOYSA-N 357.435 3.585 0 40 FHAB Cc1ccccc1OCC(=O)Nc1cc(N)ccc1N1CCC(C)CC1 226253307 OIOPBHWYWLVIBO-UHFFFAOYSA-N 353.466 3.831 0 40 FHAB O=C(COc1ccccc1F)NCc1cccc(CN2CCCCC2)c1 224696240 AGCLNLIKXGPCHS-UHFFFAOYSA-N 356.441 3.507 0 40 FHAB CC[C@H](NC(=O)Cc1ccc(C)cc1C)c1ccc(S(C)(=O)=O)cc1 223528779 LMGTYJOUJZRWOU-IBGZPJMESA-N 359.491 3.517 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1 89212849 LQSSNNDIKGRBEQ-AWEZNQCLSA-N 359.875 3.513 0 40 FHAB Cc1c(Br)cnc(NC(=S)NCc2cccnc2)c1Cl 223938144 LDQCLGJJQDWJJX-UHFFFAOYSA-N 371.691 3.688 0 40 FHAB O=C1C[C@@H](c2ccc(Br)cc2)c2c(ccc3nsnc23)N1 96232133 CVSJNOMVQDKCNM-JTQLQIEISA-N 360.236 3.928 0 40 FHAB Cc1ccc(-c2n[nH]cc2CNCc2ccc(N3CCCCC3=O)cc2)o1 98172863 HSHLHBCUBJRJLC-UHFFFAOYSA-N 364.449 3.785 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)c1cnn(-c2ccncc2)c1C 90069863 IQBZFMQFINNRAR-UHFFFAOYSA-N 356.813 3.798 0 40 FHAB CC(C)CN1CCC[C@H](CNC(=O)c2ccc3nc(C(F)F)[nH]c3c2)C1 532590341 UWIBBOJSPQMCRF-CYBMUJFWSA-N 364.440 3.598 0 40 FHAB Cc1cc(N2CCO[C@@H](c3cccc(Cc4ccccc4C)n3)C2)nc(C)n1 257282178 OSRXCJXOPIXUBS-JOCHJYFZSA-N 374.488 3.966 0 40 FHAB Cc1ncoc1C(=O)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 257282786 OVHKTKDTQNJMRL-OAHLLOKOSA-N 364.405 3.585 0 40 FHAB COc1cc(OC)cc(C(=O)N2CCC[C@@H]2CCc2ccnc(C)c2)c1 257289729 PZXOFCKRTTUKQZ-GOSISDBHSA-N 354.450 3.645 0 40 FHAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 260793506 KKQZBBXRWDGPAM-ZSFSRSCVSA-N 364.445 3.664 0 40 FHAB C[C@H](NC(=O)c1ccccc1N1CCCC1=O)c1ccccc1OC(F)F 1115839693 UKXXENDNXFKNHP-ZDUSSCGKSA-N 374.387 3.906 0 40 FHAB O=C(O)c1cc2cc(CN3CC[C@@H](Oc4cccc(F)c4)C3)ccc2o1 634697296 FVSHXQJOLQXEGT-QGZVFWFLSA-N 355.365 3.923 0 40 FHAB C[C@@H]1CN(CCn2ccc3cc(Cl)ccc32)CCN1c1ccncc1 1620543294 YJKCHQWFUAPQEP-MRXNPFEDSA-N 354.885 3.900 0 40 FHAB CC(C)n1nc(-c2ccco2)cc1NC(=O)N1CC[C@]2(CCCN(C)C2)C1 297246118 WVVRVJSTCUNQTB-FQEVSTJZSA-N 371.485 3.674 0 40 FHAB O=C(c1ccc(OC(F)F)cc1)[C@@H](Br)CBr 393827856 SACHEIDFZMPVRQ-QMMMGPOBSA-N 357.976 3.629 0 40 FHAB Cc1cccc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCC[C@@H](C)C2)C3)c1 585103153 DOKSTYXWDQIQNN-TZIWHRDSSA-N 370.537 3.738 0 40 FHAB O=C(NCc1ccnc(C(=O)O)c1)OCC1c2ccccc2-c2ccccc21 685939378 CMKGKLPKZFDJRU-UHFFFAOYSA-N 374.396 3.819 0 40 FHAB CC1(C)C[C@@]2(CCCN2C(=O)c2cscn2)CN1c1cccc(F)c1 1615157385 MYRBEYQGKGVDGA-IBGZPJMESA-N 359.470 3.946 0 40 FHAB COc1cc(/C=C/C(=O)O[C@@H]2CCCCO2)ccc1O[C@H]1CCCCO1 5210448 NGMZSNUKQQRJJT-YVGKDXFMSA-N 362.422 3.684 0 40 FHAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1Cl 11342837 CCJSUSPHCAYVRO-OAHLLOKOSA-N 374.868 3.891 0 40 FHAB COc1ccc(O[C@@H](C)C(=O)NCCOc2ccc3ccccc3c2)cc1 11717889 DVNGDZHGZWCAQG-INIZCTEOSA-N 365.429 3.811 0 40 FHAB Cc1onc(-c2ccncc2)c1C(=O)N(C)Cc1cccc2ncccc12 12290544 QBPBFHYSZVMJIJ-UHFFFAOYSA-N 358.401 3.865 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cccc(C)c1C 15353581 ZDUWQVTYKMZDBC-UHFFFAOYSA-N 372.490 3.649 0 40 FHAB Fc1ccc(Cn2nnnc2[C@H](c2cccs2)N2CCCCCC2)cc1 19343042 QLYRCNUDUMNWHD-SFHVURJKSA-N 371.485 3.887 0 40 FHAB CCCC(=O)N[C@@H](Cc1cc(N(C)C)nc(C2CC2)n1)c1cccc(C)c1 19501712 HMGWZOQFLJZKST-IBGZPJMESA-N 366.509 3.929 0 40 FHAB CCN(C(C)=O)[C@H]1CN(Cc2c(C)nc3sccn23)C2(CCCCC2)C1 19703845 LIOWEEWWQGYKFT-QGZVFWFLSA-N 374.554 3.850 0 40 FHAB CCOC(=O)c1cnc2c(Br)ccc(C(F)(F)F)c2c1O 104743880 AOKHLGIRCDBILS-UHFFFAOYSA-N 364.117 3.898 0 40 FHAB Cc1cnccc1O[C@@H]1CCN(c2ncc(Cl)cc2Br)C1 1888922030 NNYJSKZQVJBPQW-GFCCVEGCSA-N 368.662 3.859 0 40 FHAB Oc1nnc(-c2ccccc2)c2nn(-c3ccc(Br)cc3)cc12 13637222 DJPAINHDZJKATQ-UHFFFAOYSA-N 367.206 3.951 0 40 FHAB COc1ccc(C(C)=O)cc1CN1CCN(C/C=C/c2ccccc2)CC1 22773975 WDXPCFFUYAPAGH-RMKNXTFCSA-N 364.489 3.729 0 40 FHAB Cc1ncc(CN2CCC[C@]3(CCC(=O)N3Cc3ccccc3)CC2)s1 1614945504 AUEZMUXONCJKGP-NRFANRHFSA-N 369.534 3.999 0 40 FHAB Cc1cccc(C(=O)N2CCC(COc3cc4c(nn3)CCCC4)CC2)c1 1565522323 FYWPLIOXSOLWLD-UHFFFAOYSA-N 365.477 3.595 0 40 FHAB COc1cccc(NC(=S)N2CCn3cccc3[C@@H]2c2cccnc2)c1 4059482 CXLHLIVJVKDWPW-IBGZPJMESA-N 364.474 3.694 0 40 FHAB Cc1nc2c(C)cccn2c(=O)c1NC(=O)c1cc(Cl)ccc1Cl 9617538 JRYLTNWIVJDMHI-UHFFFAOYSA-N 362.216 3.870 0 40 FHAB CCS(=O)(=O)N1CCCc2cc(NC(=O)c3cc(C)cc(C)c3)ccc21 17316414 XWMHNNHHMLMBBZ-UHFFFAOYSA-N 372.490 3.658 0 40 FHAB c1ccc2c(c1)nc(C1CC1)n2C1CN(Cc2ccc3c(c2)OCCO3)C1 1775973421 BFMCVHYZWDDKST-UHFFFAOYSA-N 361.445 3.742 0 40 FHAB COCCn1/c(=N/C(=O)c2ccc3ncsc3c2)sc2ccccc21 100872486 VNDKAVOJZZQIDI-ZZEZOPTASA-N 369.471 3.700 0 40 FHAB O=C(Cc1ccc2c(c1)OCO2)N1CCS[C@@H](c2cccs2)CC1 219512675 JKWGZGOIORITIF-QGZVFWFLSA-N 361.488 3.726 0 40 FHAB Cc1cc(C)n(-c2nccnc2SCC(=O)Nc2ccc(Cl)cc2)n1 49404440 SOJFGSUJCCDPCZ-UHFFFAOYSA-N 373.869 3.663 0 40 FHAB Cc1c(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cnn1-c1ccccc1 24872340 QPNXCSKBOIHWBY-UHFFFAOYSA-N 360.421 3.759 0 40 FHAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N(C)Cc1ccco1 40119745 NSVIOPVMJIDBRC-UHFFFAOYSA-N 357.841 3.937 0 40 FHAB CCN(CC)c1ccc(NC(=O)c2cc(-c3ccc(C)s3)[nH]n2)cn1 40154793 RKWSQNACEFWKLX-UHFFFAOYSA-N 355.467 3.940 0 40 FHAB CCC1CCC(C(=O)N[C@H](C(=O)NCc2cccs2)C(C)C)CC1 2497005 RKTLMFFBINBYPX-DQPZFDDXSA-N 350.528 3.722 0 40 FHAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1nnc([C@@H]2CCCO2)s1 959134 FOOIVQURKMZRDH-GWCFXTLKSA-N 367.858 3.757 0 40 FHAB CCN(Cc1cc(C(C)=O)ccc1OC)C[C@@H]1COc2ccccc2O1 36726035 AMOYCHIMUKOJLF-GOSISDBHSA-N 355.434 3.560 0 40 FHAB O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccccc1 2501816 KDOCGLVSFNLWAK-QHCPKHFHSA-N 357.409 3.694 0 40 FHAB CCn1c(CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc2ccccc21 4973462 LGNKWBQOVWXKDO-UHFFFAOYSA-N 368.433 3.617 0 40 FHAB O=C(Nc1cccc(F)c1)NC1(C(=O)NCc2ccco2)CCCCC1 4981908 VTJWCSNQNBHVAD-UHFFFAOYSA-N 359.401 3.560 0 40 FHAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(F)c(F)c1F 6085493 KFTAXTGIWSKQKM-UHFFFAOYSA-N 367.367 3.802 0 40 FHAB CC(=O)NCc1ccc(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)cc1 29245194 PKVUKNAJZZQVMH-GFCCVEGCSA-N 364.367 3.833 0 40 FHAB Cc1cc(NC(=O)[C@H](C)Sc2nccn2-c2cccc(C)c2C)no1 7179626 UARSHEURLKUAJG-AWEZNQCLSA-N 356.451 3.905 0 40 FHAB COc1ccc(-c2n[nH]c(SCc3nc(-c4cccs4)no3)n2)cc1 7214690 DQLDUKJDDOPKJJ-UHFFFAOYSA-N 371.447 3.884 0 40 FHAB CCCCOc1ccc(C(=O)N2CCCC[C@H]2CCN2CCOCC2)cc1 20869039 CTKGQJWXCUAAPH-FQEVSTJZSA-N 374.525 3.583 0 40 FHAB Cn1c(=O)n(C[C@@H](O)Cn2c3ccccc3c3ccccc32)c2ccccc21 32760071 WRDXCPDZMJLDQH-INIZCTEOSA-N 371.440 3.509 0 40 FHAB COc1ccc(CNc2nc(N3CCCC3)c3ccccc3n2)c(OC)c1 41148406 QRSNAPVMCFXVNC-UHFFFAOYSA-N 364.449 3.859 0 40 FHAB Cc1cccc(C(=O)Nc2ccc(OCC(=O)Nc3cc(C)on3)cc2)c1 32910866 BKENZTUWPYYJOR-UHFFFAOYSA-N 365.389 3.561 0 40 FHAB C[C@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccc2ccccc2c1 10994502 QHJALAPGAWEVEA-HNNXBMFYSA-N 353.393 3.941 0 40 FHAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CCc1ccc2c(c1)OCO2 56173833 SWFPPNSAMUBDOG-UHFFFAOYSA-N 368.433 3.515 0 40 FHAB CSc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 12037783 XOHMVIDMDBNLJB-MRXNPFEDSA-N 354.475 3.704 0 40 FHAB CCCc1cc(C(=O)Nc2ccc(C(=O)c3ccc(F)cc3)cc2)n(C)n1 633071 XRSIVPNLAKZRJS-UHFFFAOYSA-N 365.408 3.995 0 40 FHAB CC(C)(C)c1ccc(C(=O)COC(=O)C[C@H]2C(=O)Nc3ccccc32)cc1 104036002 YWSBKDOYSZDUFB-QGZVFWFLSA-N 365.429 3.836 0 40 FHAB O=C1/C(=C/c2ccc(F)cc2)N=C2SCN(c3ccccc3F)CN12 12324332 JIIYRGTUQVOLBG-DHDCSXOGSA-N 357.385 3.672 0 40 FHAB Cc1cc(NC(=O)N[C@H](C)c2ccccc2Cl)ccc1-n1cnnn1 58894173 NMIAJSKAUXFJCR-GFCCVEGCSA-N 356.817 3.507 0 40 FHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2cccs2)nc1 23381025 LAWJOZIXXHXAQO-UHFFFAOYSA-N 373.503 3.970 0 40 FHAB O=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1ccc2cc[nH]c2c1 47382855 MDGICAXPYVEJNE-UHFFFAOYSA-N 361.323 3.712 0 40 FHAB COc1ccccc1NCN1C(=O)S/C(=C\c2ccccc2F)C1=O 1188608 SWQMHIIZVYCOKF-YBEGLDIGSA-N 358.394 3.940 0 40 FHAB C[C@@H](OC(=O)c1ccc2ncsc2c1)C(=O)N(C)Cc1cccc(F)c1 24699429 FRDLHGBWAHHPGP-GFCCVEGCSA-N 372.421 3.639 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)CN1CCC[C@@H]1Cc1ccccc1 25358729 FMSDKKOEGFKTPK-SIKLNZKXSA-N 350.506 3.831 0 40 FHAB COc1ccccc1CN1CCC(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 107135119 YBSHIZLRCIPRAB-LNLFQRSKSA-N 356.510 3.602 0 40 FHAB Cc1cc(=O)oc(C)c1C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 26014034 UPXKZCAVYJHCMV-UHFFFAOYSA-N 359.765 3.922 0 40 FHAB COc1ccc(-n2nnnc2C2(NC3CCCCC3)CCCCC2)cc1 35622549 ZZLDSGOFAOHKIC-UHFFFAOYSA-N 355.486 3.753 0 40 FHAB Cc1ccn(-c2ccc(NC(=O)[C@@H]3CCCN3Cc3ccccc3)cc2)n1 28240545 ZDKLDGRSMGXKSU-NRFANRHFSA-N 360.461 3.784 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)CSc1nc([C@H]2CCCO2)n[nH]1 27226804 UHAXQNREIVRGEN-CQSZACIVSA-N 360.483 3.819 0 40 FHAB O=C(NCc1ccccc1OC(F)(F)F)c1ccc2c(c1)OCCCO2 27231928 KMVHPUIEDAWGKK-UHFFFAOYSA-N 367.323 3.677 0 40 FHAB CCOC(=O)Nc1cccc(N[C@H](C(=O)NC2CC2)c2ccccc2)c1C 58165937 ZGJTVDCSNJREJA-IBGZPJMESA-N 367.449 3.995 0 40 FHAB O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12581777 OHCWNTOEFKDKEN-FUHWJXTLSA-N 367.836 3.884 0 40 FHAB Cc1cccc(COc2ccc3c(C)c(CC(=O)O)c(=O)oc3c2C)c1 2151660 POIPWHYIHJJYAK-UHFFFAOYSA-N 352.386 3.924 0 40 FHAB biogenic CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc3c(c2)CCC3)c1C 58226789 QBVLNXFLYOSVRZ-UHFFFAOYSA-N 372.490 3.888 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)CCCOc1ccc(C)cc1 27395893 ZCGJNPHEUPJWBV-UHFFFAOYSA-N 354.450 3.933 0 40 FHAB Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)N2CCCC2)cc1 27793215 JLTGRBMBTMIVMK-FQEVSTJZSA-N 372.896 3.981 0 40 FHAB COCCOC(=O)c1c(C)oc2ccc(OC(=O)/C=C/c3ccco3)cc12 3183134 RBCRAKMWELHFSV-SOFGYWHQSA-N 370.357 3.756 0 40 FHAB CCn1cc2ccc(NC(=O)N(C)Cc3ccc(OC)c(F)c3)cc2n1 58316884 NHMFBEJHVPQSNF-UHFFFAOYSA-N 356.401 3.868 0 40 FHAB O=C(c1ccoc1)N1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 25235463 PUVINONEOMIJSU-UHFFFAOYSA-N 374.849 3.746 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 29761838 ZZRCIKZXFLBKHH-INIZCTEOSA-N 354.450 3.787 0 40 FHAB O=C(NC1CCN(CC2CCCCC2)CC1)N[C@@H]1CCOc2ccccc21 58407667 LKAQDEVJECHQLD-HXUWFJFHSA-N 371.525 3.854 0 40 FHAB Cc1ccc(C)c(N2N=C(C(=O)NC[C@H](C)c3ccccc3)CCC2=O)c1 36339649 YYEGVTGXGFBWMM-KRWDZBQOSA-N 363.461 3.706 0 40 FHAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1cccc(C(F)(F)F)c1 10762846 NXGJUYIMNJOYRF-UHFFFAOYSA-N 362.351 3.984 0 40 FHAB Cc1cc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nc(C(C)C)n1 12615929 JVGDFTMFZZNSBE-GFCCVEGCSA-N 359.451 3.756 0 40 FHAB O=C(COC(=O)CCC(=O)c1cccs1)Nc1ccc(Cl)cc1F 3315617 WUGYJAFZFUWKMN-UHFFFAOYSA-N 369.801 3.685 0 40 FHAB COc1ccc(NC(=O)c2sc(-c3ccccn3)nc2C)cc1OC 12985960 WKWKISYTXYPKDX-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB CCCc1nc2sc3c(N4CCOCC4)ncnc3c2c2c1CCC2 5215559 BOVDKEVKQWHVFX-UHFFFAOYSA-N 354.479 3.517 0 40 FHAB C[C@@H](C(=O)Nc1nnc(C2CCCCC2)s1)n1c(=O)oc2ccccc21 14118369 ALDUYAXXDNFLCW-NSHDSACASA-N 372.450 3.693 0 40 FHAB Cc1ccc(C)c(NC(=O)CCC(=O)OCC(=O)c2ccc(F)cc2)c1 4544003 WMGIFNHZMXXXDN-UHFFFAOYSA-N 357.381 3.587 0 40 FHAB COc1ccc(-n2ccc(CNC(=O)[C@@H]3[C@H](C=C(C)C)C3(C)C)n2)cc1 65703184 FDITULYCKAKVHI-OALUTQOASA-N 353.466 3.736 0 40 FHAB CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1ccccc1 14245236 ISYFGQWRFZYHJO-UHFFFAOYSA-N 363.461 3.685 0 40 FHAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCc2ccccc21)c1ccco1 6586239 CIVCLQNIQAYVOT-LJQANCHMSA-N 374.440 3.600 0 40 FHAB CCOC(=O)c1sc2[nH]c(/C=C/c3ccc(OC)cc3)nc(=O)c2c1C 6653814 KEMLTWFAGIWNQO-JXMROGBWSA-N 370.430 3.649 0 40 FHAB CCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(OC)c(OC)c2OC)cc1 6709008 RJVZTPIXRHTGFZ-ZDUSSCGKSA-N 372.417 3.703 0 40 FHAB CCN(CC)c1ccc(NC(=O)[C@H](C)n2cc(Br)cn2)cc1 28224376 MLMRANPXADCJEL-LBPRGKRZSA-N 365.275 3.692 0 40 FHAB Cc1ccc(-n2ccnc2SCC(=O)NCc2ccccc2)c(C)c1 4894708 CXMMEROMBKVPCS-UHFFFAOYSA-N 351.475 3.898 0 40 FHAB C[C@H](OC(=O)Cc1coc2cc(O)ccc12)C(=O)c1c[nH]c2ccccc12 5806333 JMLXJYXKRMYSGD-LBPRGKRZSA-N 363.369 3.977 0 40 FHAB CCn1c(S[C@H](C)c2ccccc2)nc2cc(S(N)(=O)=O)ccc21 6977002 QRFRMAZMYGSLQZ-GFCCVEGCSA-N 361.492 3.557 0 40 FHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nnc(C2CC2)o1 7289904 LRRJHBRGSRYBHT-SNVBAGLBSA-N 374.491 3.868 0 40 FHAB CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2)cc1 409102516 AUDICKOCCCEVGM-UHFFFAOYSA-N 368.462 3.705 0 40 FHAB C[C@@H]1Oc2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2NC1=O 8936711 REXAIRVWWXWIOE-QMMMGPOBSA-N 351.189 3.965 0 40 FHAB CCCn1c(SCc2csc(-c3ccc(F)cc3)n2)n[nH]c1=O 9446298 GFCBHDABFWDIHQ-UHFFFAOYSA-N 350.444 3.536 0 40 FHAB CC(=O)Oc1ccc2cc(-c3nc(-c4ccc(C)cc4)no3)c(=O)oc2c1 9431189 VKTNMCFICULZAS-UHFFFAOYSA-N 362.341 3.744 0 40 FHAB CC(C)COc1ccccc1CN1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 72313447 FWVREBZTPJUEIR-NHCUHLMSSA-N 373.585 3.712 0 40 FHAB CCO[C@@H](C)c1nc(C)c(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)s1 76565390 WUECZFAXRHZHHF-ZDUSSCGKSA-N 370.478 3.869 0 40 FHAB CCN(CC)C(=O)c1cccc(NC(=O)CCCOc2ccccc2)c1 23686296 GFNJUYKFPYANQQ-UHFFFAOYSA-N 354.450 3.966 0 40 FHAB CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCN(C)C3 20813936 DZQOTGMXXXKFFN-UHFFFAOYSA-N 371.531 3.606 0 40 FHAB CSc1nc(Cl)cc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 72203399 YBEAWBDOYGOVQY-NSHDSACASA-N 372.922 3.593 0 40 FHAB COc1c(F)c(F)c(C(=O)Nc2c(C)ccc3nsnc23)c(F)c1F 408577012 ZJYLEQXFWZUFRS-UHFFFAOYSA-N 371.315 3.817 0 40 FHAB Cc1nc(-c2ccccc2F)sc1C(=O)N[C@H](C(=O)O)c1ccccc1 30819450 SYZSKTYMUYBGDT-HNNXBMFYSA-N 370.405 3.813 0 40 FHAB COc1ccccc1NC(=O)/C=C/c1cc2cccc3c2n(c1=O)CCC3 36625781 TWGCBYFIEIAXQL-VAWYXSNFSA-N 360.413 3.608 0 40 FHAB CC1=C(C(=O)OCc2ccccc2)[C@H](/C=C\c2ccccc2)NC(=S)N1 33458391 CEIOUFLRAGIKIY-SQVRQVGWSA-N 364.470 3.564 0 40 FHAB COC(=O)c1ccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 39743399 DPRDHERXSASUPA-UHFFFAOYSA-N 366.461 3.632 0 40 FHAB O=C(COC(=O)Cc1ccc(Cl)cc1)NCc1ccc(F)c(Cl)c1 72333754 SGMTXXUZKPTNMT-UHFFFAOYSA-N 370.207 3.535 0 40 FHAB CCc1ccccc1N1C(=O)C[C@@H](Nc2ccc(Br)cc2)C1=O 36635563 FMCLEHSQMHVDOF-OAHLLOKOSA-N 373.250 3.756 0 40 FHAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccccc2OC)c1C 219497432 BRURSKIHKPKWSB-AWEZNQCLSA-N 357.406 3.586 0 40 FHAB Cc1ccc(NC(=O)Cn2cc(-c3ccccc3)c(N(C)C)n2)c(F)c1 62006978 UZZVWTAXQLADQA-UHFFFAOYSA-N 352.413 3.702 0 40 FHAB O=C1C[C@@H](c2ccc(F)cc2)c2c(c(C(=O)O)cn2-c2ccc(F)cc2)N1 66087835 DXUAHMAHIKZDFL-HNNXBMFYSA-N 368.339 3.928 0 40 FHAB COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)C2CCCC2)cc1 72354820 WSQYKXRDRMHFDW-SFHVURJKSA-N 366.465 3.588 0 40 FHAB COC(=O)c1sc(NC(=O)c2c(C)oc3ccc(OC)cc23)nc1C 46086416 NKPXLJRPPJXUIM-UHFFFAOYSA-N 360.391 3.554 0 40 FHAB CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224795990 IZENJPNNVOJUAV-UHFFFAOYSA-N 355.843 3.572 0 40 FHAB CCc1c(C)nc2n(c1=O)CN(Cc1ccc(C)cc1)CN2c1ccccc1 40308059 YNQALOOKSYPGFB-UHFFFAOYSA-N 374.488 3.991 0 40 FHAB CN(c1ccccc1)c1ccc(C(=O)N[C@H]2COc3ccccc3C2)cn1 195673698 CQQSCFFTQUQEIP-GOSISDBHSA-N 359.429 3.583 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 223729544 YQTVPZPBRYQCEO-MRXNPFEDSA-N 372.896 3.826 0 40 FHAB CCOc1ccc(CNC(=O)COc2cccc(Cl)c2)cc1OCC 222767411 ITCDSNVWRXXIMD-UHFFFAOYSA-N 363.841 3.833 0 40 FHAB COc1ccc(-c2noc([C@H](C)O)c2C(=O)N[C@H](C)c2ccccc2)cc1 225432044 FYVPNPRZIYKDEL-KGLIPLIRSA-N 366.417 3.895 0 40 FHAB biogenic,in-vitro Cc1ccc2nc(C)cc(NCCNC(=S)Nc3ccncc3)c2c1 225217704 CWQGVXSAMWWGTD-UHFFFAOYSA-N 351.479 3.645 0 40 FHAB CCOc1ccc(C(=O)NCc2nc(-c3ccccc3C)no2)cc1C 223216180 BVESPMCSTUGESW-UHFFFAOYSA-N 351.406 3.682 0 40 FHAB CC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)Nc2nccs2)s1 44916850 QYVRFMCUDTUOMP-UHFFFAOYSA-N 372.475 3.713 0 40 FHAB COc1ccc(NC(=O)c2snnc2-c2ccc(C)cc2)cc1OC 225774837 HFYKFSGAJSJUHS-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB O=C(Nc1nc2ccccc2s1)c1ccnc(O[C@H]2CCSC2)c1 225721524 VHGWYLGGYBAEQI-LBPRGKRZSA-N 357.460 3.828 0 40 FHAB COC(=O)c1cccc(NC(=S)N[C@H](C)COc2ccc(C)cc2)c1C 225641548 BRHJKIYWRPFHQI-CQSZACIVSA-N 372.490 3.844 0 40 FHAB Cc1cccc(NC(=S)NCc2ccccc2CN2CCCC2=O)c1 45704373 SIBOJTINZSWUSS-UHFFFAOYSA-N 353.491 3.604 0 40 FHAB O=C(c1cccs1)N1CCC2(CC1)CCn1c(-c3ccncc3)cnc12 96263429 CEXBOVMOMINVPT-UHFFFAOYSA-N 364.474 3.584 0 40 FHAB COc1ccc(Cc2nnc3sc(-c4sc(C)nc4C)nn23)cc1 95480905 XAXHTEWDGIPDML-UHFFFAOYSA-N 357.464 3.526 0 40 FHAB CC(C)(C)CN1CCO[C@H](c2cc(CCOc3ccccc3F)[nH]n2)C1 257246171 ISVZNMNVZNGBOV-IBGZPJMESA-N 361.461 3.590 0 40 FHAB Cc1ccc(Nc2nc([C@H]3CCCN3Cc3cnn(C)c3)cs2)nc1 257239110 HNZWIAXVGHXMMC-MRXNPFEDSA-N 354.483 3.661 0 40 FHAB CC(=O)N[C@@H]1C[C@H](c2ccc(N3CCCC3=O)cc2)OC2(CCCCC2)C1 257308941 TYVGBEGJZZHYJE-UYAOXDASSA-N 370.493 3.873 0 40 FHAB Cn1nccc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2F)o1 257204068 ASXZZYGUDUGUTD-KRWDZBQOSA-N 368.412 3.505 0 40 FHAB Cc1ccc(C(=O)N(C)[C@@H](c2ccc(Cl)cc2)C2CCOCC2)nn1 585140104 IKNKYLIYSQMLHY-SFHVURJKSA-N 359.857 3.678 0 40 FHAB CC(C)(CNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](CN)C1)C1=CCCCC1 627015517 SLOLWYIATGPJRD-ZFWWWQNUSA-N 361.452 3.682 0 40 FHAB O=S(=O)(Nc1ccc(N2CCCC2)nc1)c1cc(Cl)cc(Cl)c1 1260366746 JRFRDWOIPWBKIV-UHFFFAOYSA-N 372.277 3.789 0 40 FHAB O=C(NCCn1ccc(-c2ccccn2)n1)C1(c2cccs2)CCCC1 96098895 GXDKLJFVPGNNMA-UHFFFAOYSA-N 366.490 3.635 0 40 FHAB CC(C)C(=O)c1ccc(NC(=O)N2Cc3c[nH]nc3CC(C)(C)C2)cc1 585098484 WYMQZVGXPRLESG-UHFFFAOYSA-N 354.454 3.865 0 40 FHAB CCOC(=O)COc1cccc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1 58002944 SVUWPMGYHGKATR-AWEZNQCLSA-N 359.397 3.601 0 40 FHAB NC(=O)c1cccc(Oc2ccc(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)cn2)c1 107349545 VSIVITZPCDYCAG-DZKIICNBSA-N 365.433 3.738 0 40 FHAB COC(=O)c1sc(Cl)cc1OC(=O)C(Cl)=C(Cl)Cl 2159078 SZYHFILUVTWUMA-UHFFFAOYSA-N 350.006 3.979 0 40 FHAB CC1=NN(C(=O)c2ccc(C)cc2)[C@@](O)(c2ccc(Br)cc2)C1 5745410 ZDSKZKMIEFEUMM-SFHVURJKSA-N 373.250 3.825 0 40 FHAB CN(C[C@H](Cc1ccc(Br)cc1)C(=O)O)C(=O)OC(C)(C)C 12648607 WSFDUEKEFAVOIJ-LBPRGKRZSA-N 372.259 3.559 0 40 FHAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 12893810 XGVWQHSABFOZLA-UHFFFAOYSA-N 368.780 3.725 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)c1 12903446 RJOYCKFFCMEEDX-INIZCTEOSA-N 356.447 3.584 0 40 FHAB COc1ccc([C@H](O)c2ccccc2[C@H](O)c2ccc(OC)cc2)cc1 16968773 DCINNCYBGGDENL-SZPZYZBQSA-N 350.414 3.867 0 40 FHAB C[C@@H](CC(=O)N[C@H](C)c1ccc2c(c1)CCCO2)n1nnc2ccccc21 19455406 GALRSZDQVQXDMR-LSDHHAIUSA-N 364.449 3.585 0 40 FHAB CCn1nc([C@H](C)C(=O)Nc2nc(C(C)C)cs2)c2ccccc2c1=O 19716968 ZLXOMCIZLVBNNC-LBPRGKRZSA-N 370.478 3.739 0 40 FHAB N#C/N=c1\snc(-c2ccccc2)n1-c1ccc(Br)cc1 5338527 KOJOGHJQVKHZKY-SDXDJHTJSA-N 357.236 3.745 0 40 FHAB O=C(NC(=S)Nc1ccccc1-c1ccc(C(=O)O)o1)c1ccccc1 226354949 ARKIKRQSIRAIQG-UHFFFAOYSA-N 366.398 3.772 0 40 FHAB O=C1NC[C@@]2(CCCCCCOc3ccc(Cl)cc31)CCCNC2 643561355 GZASFRKCMZFUAC-IBGZPJMESA-N 350.890 3.783 0 40 FHAB CC(C)c1ccc2c(c1)[C@]1(CCO2)C[C@H]1C(=O)N(C)Cc1ccccn1 583619676 FGUUKVBAERJKAN-UGKGYDQZSA-N 350.462 3.904 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc3c(c2)CCC(=O)N3)cc1 24538107 HIXVTKOHKKWBCT-IBGZPJMESA-N 350.418 3.557 0 40 FHAB Cc1noc(COC(=O)c2sc3nc(C(C)(C)C)nc(C)c3c2C)n1 28979675 VUFGQOKDJJIROL-UHFFFAOYSA-N 360.439 3.654 0 40 FHAB Cc1ccc(-c2cc(C(=O)NC[C@@H]3CCN(c4ccccc4)C3)on2)cc1 31403309 XIAQDNYSDZLYIG-KRWDZBQOSA-N 361.445 3.906 0 40 FHAB COc1cc(N)ccc1NC(=O)c1cc(Br)ccc1Cl 37287614 PQXQSGWYLGPMEW-UHFFFAOYSA-N 355.619 3.946 0 40 FHAB CCOc1ccc([C@H]2SC[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)N32)cc1 4727875 YWYQKYOOSBEWAY-PKOBYXMFSA-N 368.458 3.977 0 40 FHAB Cc1ccc(CC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c(C)c1 5268017 NRCSREFTSQZARS-GFCCVEGCSA-N 356.491 3.770 0 40 FHAB COc1cc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)nc(C)n1 12225238 GCFIGCFWVLSWSP-UHFFFAOYSA-N 352.369 3.929 0 40 FHAB CC(C)n1nc(Cn2cccc2)c2c1CN(C(=O)[C@@]1(C)CC=CCC1)C2 2055718134 ZPYMUPFKBHFJIR-NRFANRHFSA-N 352.482 3.902 0 40 FHAB O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1cccnc1S 40049827 DBAPMZDNSWVNHB-UHFFFAOYSA-N 372.519 3.942 0 40 FHAB Cc1c([C@H](C)NC(=O)c2ccc(N(C)C)cc2)cnn1-c1ccc(F)cc1 40068542 SPSGYDOWESPXHG-AWEZNQCLSA-N 366.440 3.877 0 40 FHAB CSc1ccc(Cl)c(C(=O)NCCN2CCc3ccccc3C2)c1 30363262 ZZBLHRAYXVIZGU-UHFFFAOYSA-N 360.910 3.850 0 40 FHAB C[C@H](C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1)n1cnc2ccccc21 30633990 JKWDKVHVQFGQJB-QAPCUYQASA-N 365.433 3.794 0 40 FHAB O=C1c2ccc(Br)cc2C(=O)N1c1nc2ccccc2s1 3188569 LVHXYAXVDUWJMM-UHFFFAOYSA-N 359.204 3.859 0 40 FHAB C[C@H]1Cc2cc(/C=C/[C@@]34NC(=O)CN3c3ccccc3C4(C)C)ccc2O1 3999986 TWCVOODGGUWAPC-MKIOOYEDSA-N 360.457 3.647 0 40 FHAB biogenic CN(C)CCN1C(=O)CC[C@@]2(C)C1=CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 4705798 TZYDTPVLMWSHME-NJZGOQBBSA-N 374.569 3.658 0 40 FHAB in-vitro CCn1c(C)cc(C(=O)CSc2nncn2-c2ccccc2F)c1C 6129048 DAKPIFUGYXKJEW-UHFFFAOYSA-N 358.442 3.820 0 40 FHAB COC(=O)[C@]1(C(F)(F)F)[C@H]2C=C[C@@H](C2)N1c1nc2ccccc2s1 101325900 KTAFDVDXSBFXOK-YHAQOWFVSA-N 354.353 3.535 0 40 FHAB Cc1cc(C)c(NC(=O)COC(=O)c2cc3ccccc3oc2=O)c(C)c1 7604790 GIYJGJDMYZRAGT-UHFFFAOYSA-N 365.385 3.514 0 40 FHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CCNC(=O)c1ccsc1 32739398 WCGZJNKDLNEJOZ-GFCCVEGCSA-N 373.503 3.697 0 40 FHAB Cc1c(Cl)c(COC(=O)c2ccc(C(N)=O)cc2)nc2ccccc12 21498023 KKJXNIIBAKCRTB-UHFFFAOYSA-N 354.793 3.653 0 40 FHAB O=C(NCc1ccccc1Cl)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 8264042 RJBOEKSZUCJUQG-CYBMUJFWSA-N 363.244 3.663 0 40 FHAB CC1=C(C(=O)OCCCc2ccccc2)[C@@H](c2ccsc2)NC(=O)N1C 2757745 FDPDAVGMOLOBPK-GOSISDBHSA-N 370.474 3.894 0 40 FHAB CC[C@H]1CCc2c(sc(NC(=O)c3cccnc3Cl)c2C(N)=O)C1 670341 KJERZSIZXJROQK-VIFPVBQESA-N 363.870 3.663 0 40 FHAB CCc1nn(C)c(-c2nnc3sc(-c4ccc(F)cc4)nn23)c1Cl 692244 MHUMMBRVEQXTCR-UHFFFAOYSA-N 362.821 3.608 0 40 FHAB Clc1ccc(CNc2nc3ccccc3n2CCN2CCOCC2)cc1 809668 PMAXIAMBXKWCPW-UHFFFAOYSA-N 370.884 3.634 0 40 FHAB CC(C)c1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)cnn1-c1cccc(Cl)c1 23108309 MBQBQXDCTWZXCL-ZIAGYGMSSA-N 361.873 3.899 0 40 FHAB Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1ccncc1 55593008 DPWHZNFGRSALQL-HUUCEWRRSA-N 351.450 3.760 0 40 FHAB CN1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)s3)cc2)CC1 12549664 KCBUPESWAWKYKR-VQHVLOKHSA-N 361.898 3.805 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H](C)Cn1nc(C(F)(F)F)cc1C 28231510 FCPFABINOFWBRI-LLVKDONJSA-N 355.360 3.802 0 40 FHAB O=C(Nc1cccnc1)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O 3134477 WZIXWHHOBJXASV-UHFFFAOYSA-N 373.334 3.563 0 40 FHAB C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1ccc(Cl)cn1 27974794 OULLQOCYVCNAST-SECBINFHSA-N 355.619 3.904 0 40 FHAB COc1cc(CC(=O)OCc2c(F)cccc2Cl)cc(OC)c1OC 3297966 YUUUQQZWXKNCQJ-UHFFFAOYSA-N 368.788 3.791 0 40 FHAB O=C(Cc1csc(-c2ccccc2Cl)n1)NCCCCn1ccnc1 58160056 PBVCFMPAYCPSDJ-UHFFFAOYSA-N 374.897 3.799 0 40 FHAB O=C(CCC1CCCC1)Nc1ccc(CC(=O)N2CCSCC2)cc1 58153118 URAIFOVBBXAHAR-UHFFFAOYSA-N 360.523 3.713 0 40 FHAB Cc1cc(NC(=O)CN2CCCC[C@@H]2c2nc3ccccc3s2)no1 58169376 IWOHAOAXBYNDHZ-CQSZACIVSA-N 356.451 3.758 0 40 FHAB CC(C)(C)OC(=O)Nc1cc(NC(=O)c2ccc(C(N)=O)cc2)ccc1F 58227424 YAGCISGIGWVWSP-UHFFFAOYSA-N 373.384 3.524 0 40 FHAB O=C(CSCc1ccc(Cl)s1)NC[C@@H]1COc2ccccc2O1 44997924 OPHLMLQMPVYWCV-LLVKDONJSA-N 369.895 3.591 0 40 FHAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(N2CCCC2)cc1 10429403 PFKPSPASHVGYGE-AWEZNQCLSA-N 371.868 3.697 0 40 FHAB CCCCNC(=O)CCn1nc(-c2ccc(C)cc2)c2ccccc2c1=O 2207721 VZQQQOLPJLEQQD-UHFFFAOYSA-N 363.461 3.678 0 40 FHAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)n1nnc2ccccc21 3352799 SFJKGPYSDHKMSU-UHFFFAOYSA-N 365.824 3.635 0 40 FHAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1CCSC1=O 12876500 PPWPJIPIEITYCU-UHFFFAOYSA-N 362.373 3.602 0 40 FHAB COc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccccc2C)cc1 12800844 BABVOUSBNJVUGD-UHFFFAOYSA-N 354.435 3.563 0 40 FHAB COC(=O)c1c(NC(=O)CN2CCCc3ccccc32)sc(C)c1C 3400327 RJAXESYJTSFTLQ-UHFFFAOYSA-N 358.463 3.543 0 40 FHAB aggregator O=C(O[C@H]1CCOC1=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 3435922 ZEDMHYIGUDZPGP-SFHVURJKSA-N 351.333 3.513 0 40 FHAB CCCCN1C(=O)[C@](O)(CC(=O)c2ccc(CC)cc2)c2ccccc21 4166098 YJIUOEBCEYTBHI-QFIPXVFZSA-N 351.446 3.856 0 40 FHAB COC(=O)c1cc2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc2s1 20025302 CVJDLHDDUJWVLW-UHFFFAOYSA-N 371.414 3.957 0 40 FHAB CCc1ccc([C@H](C)NCC(=O)Nc2cc(NC(C)=O)ccc2OC)cc1 14183761 RGXSHXILSFYWEI-AWEZNQCLSA-N 369.465 3.505 0 40 FHAB COc1ccc(Nc2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1 6545054 TVESETFNIXQWTF-UHFFFAOYSA-N 353.403 3.893 0 40 FHAB CN(C)C(=O)[C@H](OC(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 6841681 NWAQGUOGXGXPCM-OAHLLOKOSA-N 352.217 3.980 0 40 FHAB c1ccc2c(c1)CC(NC1CCN(c3ccc(-c4ccn[nH]4)cc3)CC1)C2 19595404 GHHNQKDTPMMNOJ-UHFFFAOYSA-N 358.489 3.803 0 40 FHAB Cc1noc(C)c1C(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 7719526 INQUVEKZJOCOPP-UHFFFAOYSA-N 372.812 3.800 0 40 FHAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CCC1)c1ccc2c(c1)OCO2 8936559 BENJUYFEVJXPFU-UHFFFAOYSA-N 372.804 3.917 0 40 FHAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1cccc2cccnc12 8987670 XNWVAVSELAQTPQ-UHFFFAOYSA-N 372.428 3.590 0 40 FHAB C[C@@H](NCc1ccco1)C(=O)Nc1ccc(OCc2ccccc2)cc1 8345212 NILFEDOGLZEEKG-MRXNPFEDSA-N 350.418 3.975 0 40 FHAB CCN1CCC[C@H]1CNCc1cccc(OC)c1OCc1ccc(F)cc1 19872216 IMWQFZGWFFEPOO-FQEVSTJZSA-N 372.484 3.987 0 40 FHAB CCCCCCOc1ccc(C(=O)NCC[C@H](O)C(C)C)cc1OC 72295774 PFDMINFYRIJBPI-KRWDZBQOSA-N 351.487 3.791 0 40 FHAB COc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2Cl)cc1 72329778 FRCKIRQERPHREJ-UHFFFAOYSA-N 351.786 3.869 0 40 FHAB Cc1cc(C)n(-c2cccc(C(=O)N3CCO[C@@H](c4ccccc4)C3)c2)n1 79481884 DPDPZCMQVLVZPS-OAQYLSRUSA-N 361.445 3.703 0 40 FHAB CC(=O)c1ccc(NC(=O)CCCc2nc(-c3cccs3)no2)cc1 20894292 AYBPEJZSBHXNAC-UHFFFAOYSA-N 355.419 3.962 0 40 FHAB NC(=O)/C=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1 409416280 YKOBVYYRWNRHJP-YWEYNIOJSA-N 350.187 3.666 0 40 FHAB COc1cccc([C@H](C)NC(=O)COC(=O)c2ccc(F)cc2Cl)c1 67198195 RSYCUJKWVUTDAJ-NSHDSACASA-N 365.788 3.522 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2ccc3nc(-c4cccnc4)[nH]c3c2)c1 71283687 JZYKMIIIASMWSZ-UHFFFAOYSA-N 374.400 3.894 0 40 FHAB COc1cccc(-c2nc(C(=O)NCCc3ccccc3)cs2)c1OC 32753116 QTCOYPSBSQNEIU-UHFFFAOYSA-N 368.458 3.800 0 40 FHAB CCOc1ccc(-c2nc(NC(=O)COc3ccc(CC)cc3)no2)cc1 32624252 XABFLHMXUFPHMA-UHFFFAOYSA-N 367.405 3.715 0 40 FHAB Cc1ccc(Nc2ccc(NS(=O)(=O)c3cc(F)ccc3C)cc2)nn1 35597963 CYFUGDYCNCSUEO-UHFFFAOYSA-N 372.425 3.777 0 40 FHAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1ccccc1 222825447 BNDSXJCSCQZUOF-HNNXBMFYSA-N 358.869 3.784 0 40 FHAB Cn1c(=O)sc2cc(NC(=O)CCSCc3ccccc3)ccc21 225047728 MRRFTXHXTGYBAU-UHFFFAOYSA-N 358.488 3.862 0 40 FHAB CCN(c1ccc2sc(C(=O)O)cc2c1)S(=O)(=O)c1ccccc1 223392480 GUVUDIUYSDAAEJ-UHFFFAOYSA-N 361.444 3.815 0 40 FHAB O=C(CCCCCNc1ncccn1)N1CCc2c([nH]c3ccccc23)C1 85879298 VGOMWUXSZXQDCL-UHFFFAOYSA-N 363.465 3.515 0 40 FHAB biogenic COc1ccc(CN(C(C)=O)[C@H](C(=O)NCC(C)C)c2ccccc2)cc1 223540279 OCOOXYCSNPPXER-NRFANRHFSA-N 368.477 3.557 0 40 FHAB Cc1ccc(NC(=S)NC2CCN(Cc3ccccn3)CC2)c(Cl)c1 225231747 IZNCTMWVLHYUBX-UHFFFAOYSA-N 374.941 3.994 0 40 FHAB CCOC(=O)c1cc(NC(=O)[C@](C)(CC)OC)ccc1O[C@@H](C)CC 225790854 GYNMKILMNUFIGJ-DJJJIMSYSA-N 351.443 3.794 0 40 FHAB COC(=O)c1cccc(NC(=S)NCc2cccc(OC(C)C)c2)c1 225524188 SGTWLSTWADZTBZ-UHFFFAOYSA-N 358.463 3.747 0 40 FHAB Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1 222718453 VSZNMDVHGOHSGW-CVEARBPZSA-N 355.434 3.719 0 40 FHAB COc1ccc(/C=C/C(=O)NCCSC2CCCC2)c(OC)c1OC 225813798 PPUQNNSBHBWPDQ-PKNBQFBNSA-N 365.495 3.518 0 40 FHAB Fc1ccc(NC(=S)NCCCN2CCc3ccccc3C2)cc1F 225743331 JJPXOOMKRARSPS-UHFFFAOYSA-N 361.461 3.700 0 40 FHAB COCCC1(NC(=S)Nc2ccc(Cl)c(C(=O)OC)c2)CCCC1 225861550 SYFUEJOGEHYTGE-UHFFFAOYSA-N 370.902 3.762 0 40 FHAB O=C(c1nc2ccccc2s1)N1CC[C@@H](N2CCc3ccccc3C2)C1 225684958 PPKOPBHXQWETRG-QGZVFWFLSA-N 363.486 3.569 0 40 FHAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCOCC)nc1C 225886953 FDPPJSNKEUKBPK-IBGZPJMESA-N 352.475 3.729 0 40 FHAB COC(=O)c1cccc(-c2nc3cc(OC)cc(Br)c3[nH]2)c1 226343927 WQZQWFLULBCDEW-UHFFFAOYSA-N 361.195 3.788 0 40 FHAB CCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cc1C(=O)OC 225831312 QEWQHWYHKPITFK-VBKZILBWSA-N 363.454 3.796 0 40 FHAB Fc1ccccc1CN1CCC2(CC1)C[C@@H](OCc1cccnc1)CO2 96106775 YPSIYXUFTPVHDE-LJQANCHMSA-N 356.441 3.561 0 40 FHAB CNC(=O)C[C@@H]1CC2(CCN(Cc3ccsc3)CC2)c2ccccc21 96052567 LSTBPQRTGSJDGQ-QGZVFWFLSA-N 354.519 3.905 0 40 FHAB C[C@@H](Oc1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1)C(=O)O 91695314 SPAAJVUBWAYRDH-SNVBAGLBSA-N 354.328 3.685 0 40 FHAB Cc1cccc(NC(=O)N2CC[C@@]3(CCCN(CC4CCOCC4)C3)C2)c1 96215424 JGFCKIPIEQYGFH-JOCHJYFZSA-N 371.525 3.741 0 40 FHAB O=C(Nc1cccc2c1OCC[C@@H]2O)c1ccc(O[C@H]2CC2(F)F)cc1 529043831 QZEIOXRNZKSLKD-HOTGVXAUSA-N 361.344 3.541 0 40 FHAB Cc1nc(COC[C@H]2CN(Cc3sccc3C)Cc3cncn32)cs1 248038912 OGEKYLZNBZCDMW-QGZVFWFLSA-N 374.535 3.792 0 40 FHAB Cc1ccc(C[C@H]2CCCN(C(=O)c3ccc(CN(C)C)cc3)C2)cn1 257213844 CJHVZZRESURMRY-HXUWFJFHSA-N 351.494 3.547 0 40 FHAB O=C(c1cccc2ncccc12)N1CCCC[C@@H]1c1ccn2ccnc2n1 257329057 XIEVVJIWIBTWEL-LJQANCHMSA-N 357.417 3.645 0 40 FHAB Cc1ccc(Nc2nc([C@H]3CCCN3Cc3cncn3C)cs2)nc1 257254688 KEGJQEVGLZETJP-MRXNPFEDSA-N 354.483 3.661 0 40 FHAB Cc1cc(-c2noc(CN[C@H]3CCc4ccccc4OC3)n2)ccc1F 585080170 ASNJAGAZFBYHPJ-INIZCTEOSA-N 353.397 3.668 0 40 FHAB O=S(=O)(/C=C/c1ccccc1)N1CCN(C2CC2)C[C@@H]1c1ccccc1 85472665 XCTPFXAZVAAMGN-RDOKFVIMSA-N 368.502 3.508 0 40 FHAB O=C1c2ccccc2C(=O)N1CCCCNCC12CC3CC(CC(C3)C1)C2 2382214976 KRKMJPCIKMBIOG-UHFFFAOYSA-N 366.505 3.869 0 40 FHAB C[C@@H]1CN(C(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)C[C@@H](C)C1=O 666773209 FYFYBZIKFJNUMZ-GPCCPHFNSA-N 362.779 3.810 0 40 FHAB CC1(C)CN(CCOCC(F)F)[C@H]1c1nccn1-c1ccc(F)cc1 1775960613 WFDJDQJKERHYMA-INIZCTEOSA-N 353.388 3.676 0 40 FHAB CSc1ccccc1NC(=O)C(=O)NCc1ccc(-c2ccoc2)cc1 390829043 CMXQZUHZLBROOM-UHFFFAOYSA-N 366.442 3.923 0 40 FHAB Cc1cc(C(=O)N2CCC[C@@H]2CC(=O)c2cnn(C)c2)c(C)cc1Cl 684463528 BRHGBALNOPJESC-OAHLLOKOSA-N 359.857 3.568 0 40 FHAB COc1ccc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1F 49093176 ZZSJBTCJCZBXLX-UHFFFAOYSA-N 369.362 3.570 0 40 FHAB COc1ccc([C@H]2CCCCCN2CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 57292083 AFKNQPGFUQEQFS-HSALFYBXSA-N 368.477 3.521 0 40 FHAB Cc1nc(CSCCC(=O)NCc2ccc(-n3cccn3)cc2)cs1 57367904 MOVAXJCAUNHPPE-UHFFFAOYSA-N 372.519 3.577 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)c1ccc(OCC)c(OCC)c1 5466623 SJASQLUEDFKNIA-UHFFFAOYSA-N 357.406 3.913 0 40 FHAB O=C(COc1ccc2c(c1)CCC2)Nc1nnc(Cc2ccccc2)s1 5549358 UAHHHCGTXFDSBC-UHFFFAOYSA-N 365.458 3.635 0 40 FHAB COC(=O)c1c(NC(=O)Cc2ccc(OC)c(C)c2)sc2c1CCCC2 13971765 RZTPNRXZNZHZFI-UHFFFAOYSA-N 373.474 3.912 0 40 FHAB CC1CCN(c2ccccc2NC(=O)c2ccc3c(c2)OCCO3)CC1 14258479 JJOGOPBAXVUSPA-UHFFFAOYSA-N 352.434 3.946 0 40 FHAB CC(=O)N1N=C(c2ccc(C(C)C)cc2)Sc2c1nc(C)n2C(C)=O 16777106 JRZMFEUXLWHIDP-UHFFFAOYSA-N 356.451 3.795 0 40 FHAB O=C(CCCc1ccccn1)N1CCc2onc(Nc3ccccc3)c2C1 19373019 OWEBPRGKCHFSCB-UHFFFAOYSA-N 362.433 3.721 0 40 FHAB COc1cccc(CN2CCN(C(=O)Nc3ccccc3F)[C@@H](C)C2)c1 19575614 XGTWFMYZAHXNFE-HNNXBMFYSA-N 357.429 3.573 0 40 FHAB Cn1cnc2ccc(NC(=O)CCc3nc4cc(Cl)ccc4n3C)cc21 19714225 BCCWULLDDYMQFJ-UHFFFAOYSA-N 367.840 3.685 0 40 FHAB CCOC(=O)/C(=C/c1ccc(OC)c(OC)c1)P(=O)(OCC)OCC 5574159 CRKMCAWVSBUKPJ-VBKFSLOCSA-N 372.354 3.874 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCO3)cc1C 32753752 GQUDEYXPNRXPJX-UHFFFAOYSA-N 360.797 3.630 0 40 FHAB CC(C)CCSc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3 2974290 FOWFHGVXSRSURC-UHFFFAOYSA-N 372.446 3.905 0 40 FHAB CCCC1=C(C(=O)OCC)[C@H](c2c(F)cccc2Cl)NC(=O)N1C 4152268 MOTWRZPALPXTPL-HNNXBMFYSA-N 354.809 3.793 0 40 FHAB CCN1C(=O)Cc2cc(NC(=O)c3ccc(Br)cc3)ccc21 17288883 CCLVIRUAWOAHJL-UHFFFAOYSA-N 359.223 3.610 0 40 FHAB Cc1ccccc1CN1CCC(Nc2ccccc2)(C(=O)N(C)C)CC1 2055751273 CVBWLCUKRDQEFP-UHFFFAOYSA-N 351.494 3.530 0 40 FHAB O=S(=O)(Cc1noc2ccccc12)NCc1cc(-c2ccco2)cs1 1775969921 RUDSGXWMSNDHBC-UHFFFAOYSA-N 374.443 3.769 0 40 FHAB O=C(Cc1ccc2c(c1)OCO2)N1CCCC[C@@H](c2ccc(F)cc2)C1 206873997 PLZOCUZYOMISOK-QGZVFWFLSA-N 355.409 3.893 0 40 FHAB Cc1nn(CCNC(=O)/C=C/c2cc(F)ccc2F)c(C)c1-c1ccco1 575615404 OQJSKPNHMOJELV-VMPITWQZSA-N 371.387 3.868 0 40 FHAB O=C(Cc1ccccc1Cl)NC[C@](O)(c1ccsc1)c1ccco1 245015187 LPSUDGDELQHFCG-SFHVURJKSA-N 361.850 3.589 0 40 FHAB CCc1ccc(CC)c(S(=O)(=O)Nc2ccc3oc(=O)sc3c2)c1 3653696 AMGMIZWNLPIHHQ-UHFFFAOYSA-N 363.460 3.780 0 40 FHAB COc1ccccc1-c1nc(NC(=O)c2oc3c(F)cccc3c2C)n[nH]1 40088569 VMNKDXCMOIYQMM-UHFFFAOYSA-N 366.352 3.926 0 40 FHAB C[C@H](OCc1ccccc1)C(=O)NCCNc1ncc(Cl)cc1Cl 40110392 UZLGCJCPGONSEF-LBPRGKRZSA-N 368.264 3.522 0 40 FHAB Cc1ccc(OCc2nnc(SCc3ccccc3F)n2N)c(C)c1 7934326 DJZVURLMDAXXMG-UHFFFAOYSA-N 358.442 3.619 0 40 FHAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(NC(=O)C2CC2)s1 10936394 SRAQQZWXLZGJHR-UHFFFAOYSA-N 358.419 3.510 0 40 FHAB O=C(O)[C@@H]1CS[C@@H](c2ccc(COc3c(Cl)cccc3Cl)o2)N1 36612347 TZRQVNAOFSMRFZ-FZMZJTMJSA-N 374.245 3.954 0 40 FHAB CNC(=S)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 878847 HVOGFIPQFLBQGA-UHFFFAOYSA-N 357.523 3.784 0 40 FHAB CC(C)c1ccccc1NC(=O)[C@H](C)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 28888117 SKECDWODCQUMGT-UONOGXRCSA-N 367.449 3.969 0 40 FHAB O=C(O)CSc1nnc(CNc2ccccc2Cl)n1-c1ccccc1 976892 MQAFHKZXAZPFKF-UHFFFAOYSA-N 374.853 3.710 0 40 FHAB C[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)c1ccc2ccccc2c1 31404538 IKEOTVBRWCOJKZ-MRXNPFEDSA-N 371.440 3.817 0 40 FHAB Cc1cc(C)cc(OCC(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2)c1 1923139 RPJNJQMFHLXLSB-CQSZACIVSA-N 361.825 3.906 0 40 FHAB CC[C@@H](C)NC(=O)COC(=O)c1c(-c2c(F)cccc2Cl)noc1C 4871140 APNBQQOPXDBEMC-SECBINFHSA-N 368.792 3.514 0 40 FHAB O=C1C[C@H](c2ccc(OCc3ccccc3F)c(Cl)c2)n2ncnc2N1 6528700 NBHVVHAGGVGAJB-OAHLLOKOSA-N 372.787 3.581 0 40 FHAB C[C@H](CC(=O)N(C)[C@@H]1CCCc2ccccc21)NC(=O)c1ccccc1 29258020 OPTJUZHNZKJKML-OXQOHEQNSA-N 350.462 3.731 0 40 FHAB Cc1ccc(C)c(N[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c1 7212444 REMBROSMMZLGCV-INIZCTEOSA-N 373.250 3.810 0 40 FHAB CCOC(=O)c1c(C)oc2nc(CSc3ccc(F)cc3)nc(N)c12 7359892 QWAPDGBKDANKLC-UHFFFAOYSA-N 361.398 3.722 0 40 FHAB C[C@H](NCc1nc2ccccc2c(=O)[nH]1)c1ccc(Br)cc1 16685058 OFVSLBJYEFICBJ-NSHDSACASA-N 358.239 3.536 0 40 FHAB C[C@H](OC[C@@H](O)CNC1CC(C)(C)NC(C)(C)C1)c1ccc(Cl)cc1 2652688 QEILUEXGBCCJPY-KSSFIOAISA-N 368.949 3.677 0 40 FHAB COC(=O)[C@]1(C)[C@H]2[C@H]3CC=C[C@@H]3[C@H]3[C@@H]2[C@@H]2[C@H]4[C@H]5[C@@H](CC[C@@]5(C)[C@H](O)[C@@]34C)[C@H]21 104294579 LOVUPQYSFMEJMR-NLMZUPLDSA-N 368.517 3.523 0 40 FHAB O=C(Cc1noc2ccccc12)Nc1nc2ccccc2nc1N1CCCC1 21553047 GIESKQRESHFDCH-UHFFFAOYSA-N 373.416 3.552 0 40 FHAB O=C1c2ccccc2C(=O)N1CSc1nccn1-c1cccc(Cl)c1 10271469 DFCLLEHKOHQZIL-UHFFFAOYSA-N 369.833 3.872 0 40 FHAB COc1ccc(CN2C[C@H]3CCC[C@H](C2)C3N2CCCCC2)cc1OC 100214012 ANNMBUIGIWVHSL-RTBURBONSA-N 358.526 3.790 0 40 FHAB CCn1nnc2cc(C(=O)O[C@H](C)C(=O)c3cc(C)c(C)cc3C)ccc21 10855615 RLNBQCDXGAKOPW-OAHLLOKOSA-N 365.433 3.805 0 40 FHAB CCc1nnc([C@H]2Cc3ccccc3CN2c2ncnc3ccccc23)o1 58433942 JKGQRWHSPVMSRZ-GOSISDBHSA-N 357.417 3.879 0 40 FHAB Cc1ccc(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)cn1 46529564 CGSAGBQHCYHIOU-UHFFFAOYSA-N 362.385 3.950 0 40 FHAB Cc1ccccc1SCC(=O)NCc1ccccc1Cn1cccn1 21973211 OOEMRTHUPASIAL-UHFFFAOYSA-N 351.475 3.648 0 40 FHAB Cc1ccc([C@@H](O)CNC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1 41455437 HDZYEMCZSODWHX-KRWDZBQOSA-N 356.809 3.767 0 40 FHAB Cc1nn(C(=O)Nc2ccccc2O)c(O)c1Cc1ccccc1Cl 9926853 FMBFNGKZYJWAMX-UHFFFAOYSA-N 357.797 3.927 0 40 FHAB Cc1ccc(-c2nc(-c3ccccc3OCC(=O)NC(C)C)no2)cc1 33325188 LYFPYIAGWUFSJW-UHFFFAOYSA-N 351.406 3.615 0 40 FHAB CCCCOC(=O)c1nc(C)c(C)nc1C(=O)Nc1cc(C)ccc1C 103184280 PVPAQXAOOIPYSH-UHFFFAOYSA-N 355.438 3.919 0 40 FHAB CCCc1nnc(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)s1 22746446 KDBOPDAAMNGFJB-UHFFFAOYSA-N 372.450 3.927 0 40 FHAB CCOc1ccc(NC(=O)[C@H](C)[C@H](Cc2ccc(C)cc2)C(=O)O)cc1 864903 DIKJOESZCPAOQZ-BEFAXECRSA-N 355.434 3.912 0 40 FHAB C[C@H](NC(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1)[C@H]1CCCO1 54509180 DMPPTTGUCBONOX-SMDDNHRTSA-N 368.359 3.580 0 40 FHAB Cc1cccc(OCCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1C 24758083 WGYPSBQCLXBTPZ-UHFFFAOYSA-N 363.461 3.917 0 40 FHAB C[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1-n1ccnc1 20493480 YJXQYJPZFAMSTL-CQSZACIVSA-N 355.825 3.609 0 40 FHAB O=c1oc2c3c(c(Cl)cc2c2c1CCC2)OCN(Cc1ccco1)C3 55393771 STESIIJZVPDGFU-UHFFFAOYSA-N 357.793 3.880 0 40 FHAB CC(C)C[C@@H](NC(=O)CNC(=O)/C=C/c1ccccc1)c1ccccc1 24929649 CJNUBPHUUPXEIL-FBRRREGBSA-N 350.462 3.720 0 40 FHAB Cc1nn(C)c(C)c1/C=C/C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 56349279 VXSUCZOUMIXMKM-FLVLSHQESA-N 369.465 3.637 0 40 FHAB CCc1c(C(=O)N2CCC(N(C)c3ccccc3)CC2)[nH]c(C)c1C(C)=O 57090413 HNSZHQMCPOBRPL-UHFFFAOYSA-N 367.493 3.829 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1-c1nc(C2CC2)n[nH]1 26541284 USZXXGXHPZERGB-UHFFFAOYSA-N 372.425 3.597 0 40 FHAB Cc1ccc(-c2cc(C(=O)N3CCN(c4cccc(C)c4)CC3)n[nH]2)cc1 10261138 UHDUYBJIGQWNCA-UHFFFAOYSA-N 360.461 3.656 0 40 FHAB COc1ccc(C(=O)[C@H](C)Sc2nnc(C(C)(C)C)o2)cc1OC 58202906 HSTDYSHPIKPCBW-JTQLQIEISA-N 350.440 3.748 0 40 FHAB C[C@@H](NC(=O)c1cccc(N(C)C)c1)c1nc2ccccc2n1C(F)F 10320057 STIWMLCBZQNZCF-GFCCVEGCSA-N 358.392 3.988 0 40 FHAB CCN(C(=O)c1cccc(NC(=O)CCn2ccnc2)c1)C1CCCCC1 58393954 LZXMYHYIIIHYPF-UHFFFAOYSA-N 368.481 3.707 0 40 FHAB CC(=O)c1ccc(NC(=O)c2c3c(nc4c2cnn4C(C)C)CCC3)cc1 36357305 SSTWFJAEUBZDLI-UHFFFAOYSA-N 362.433 3.956 0 40 FHAB CC(C)CNC(=O)NC(=O)[C@H](C)SC1=Nc2ccccc2CS1 12751618 IUWURFUTYFVIEG-NSHDSACASA-N 351.497 3.524 0 40 FHAB O=C(Cc1csc(-c2ccccn2)n1)Nc1cnc(-c2ccccc2)nc1 48331434 YNXSGEAROSGWRR-UHFFFAOYSA-N 373.441 3.843 0 40 FHAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccccc1F 3433988 MHUPWTNLHRFYCZ-UHFFFAOYSA-N 358.350 3.579 0 40 FHAB COc1ccc2cc(CN(C)[C@H](C)C(=O)NCc3ccccc3)ccc2c1 12999915 GDQIDGKTQBKINW-QGZVFWFLSA-N 362.473 3.985 0 40 FHAB COc1ncccc1C(=O)N1CCc2sccc2[C@@H]1c1ccccc1 12925971 FFTQASGFKDVRBG-SFHVURJKSA-N 350.443 3.940 0 40 FHAB CCOc1cccc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)c1O 3667656 LAMJNOCIXHPQAM-QINSGFPZSA-N 360.479 3.523 0 40 FHAB COc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cn1 8344563 SAKOOABFRKXALM-UHFFFAOYSA-N 351.410 3.546 0 40 FHAB C[C@H](N[C@H]1CCC[C@H]1C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 89551626 DEGFAKGDBQWPOS-VCBZYWHSSA-N 362.495 3.597 0 40 FHAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 59037566 BSKAIARXZVXRLD-HNNXBMFYSA-N 367.424 3.524 0 40 FHAB O=C(Cc1ccc2c(c1)CCCC2)NCc1ccc(N2CCCC2=O)cc1 14241647 KYZSNTWSJMLADO-UHFFFAOYSA-N 362.473 3.551 0 40 FHAB Brc1ccccc1C1=Nn2c(nnc2-c2ccco2)SC1 5555027 JOYKKAGOTSUDBM-UHFFFAOYSA-N 361.224 3.659 0 40 FHAB CCCSc1nnc(NC(=O)Cc2coc3ccc(OC)cc23)s1 6746680 JHVMWWXUCLGHET-UHFFFAOYSA-N 363.464 3.976 0 40 FHAB Cc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2cccc(Cl)c2)c1C 6881510 MZQFIRGUBXBVQQ-HNNXBMFYSA-N 373.884 3.854 0 40 FHAB C[C@H](OC(=O)C(C)(C)Oc1ccc(F)cc1)c1nc2ccccc2c(=O)[nH]1 6976229 MHXJRCZQNMKORY-LBPRGKRZSA-N 370.380 3.524 0 40 FHAB Cc1ccc(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)c(C)c1 6944359 GVHXAXBSMWPORV-UHFFFAOYSA-N 350.418 3.899 0 40 FHAB C[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(C(F)(F)F)cc1 7221943 KQROPWBYMWBCRC-LLVKDONJSA-N 366.339 3.916 0 40 FHAB O=C(COc1ccccc1Cl)NC[C@@H](c1ccco1)N1CCCCC1 15860030 LLJWBSVPIAGLTM-INIZCTEOSA-N 362.857 3.655 0 40 FHAB CC(C)Sc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12 9114819 ODQSSSCQCDPANQ-UHFFFAOYSA-N 350.447 3.593 0 40 FHAB Cc1ccc(NC(=O)COC(=O)c2ccccc2NCc2ccco2)cc1 9373653 BWVNYSARHYMKOP-UHFFFAOYSA-N 364.401 3.996 0 40 FHAB CCCCn1c(NC(=O)COc2ccc(OC)cc2)nc2ccccc21 9356228 TUISQNMSFHDICG-UHFFFAOYSA-N 353.422 3.863 0 40 FHAB COc1ccc2c(C)c(CCC(=O)Nc3ccc(C)cc3O)c(=O)oc2c1 9499572 HGEWQVRFJXUROV-UHFFFAOYSA-N 367.401 3.695 0 40 FHAB O=C1CCc2cc(C(=O)Nc3ccc(Br)cc3F)ccc2N1 9690283 YEPDHKHFTGOKRV-UHFFFAOYSA-N 363.186 3.725 0 40 FHAB O=C(Nc1ccc2c(c1)OCCO2)N1CCSC[C@H]1c1cccs1 95403773 SNAXLYFZIGKQFM-ZDUSSCGKSA-N 362.476 3.841 0 40 FHAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccccc2-c2nnnn2C2CC2)C1(C)C 74070458 SZXYHHVVZIDZOH-DOTOQJQBSA-N 351.454 3.852 0 40 FHAB O=C1C[C@H](Nc2ccc(F)cc2)C(=O)N1c1cccc(Cl)c1Cl 36635861 ANQJWJPVHYLCRZ-LBPRGKRZSA-N 353.180 3.877 0 40 FHAB COc1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)cc1Cl 30289364 KSYDALHBDOSKCK-UHFFFAOYSA-N 360.262 3.523 0 40 FHAB C[C@H](Oc1ccccc1Cl)C(=O)NCCc1nc(-c2ccccc2)no1 32594023 HYTRRRYEZHFDAS-ZDUSSCGKSA-N 371.824 3.516 0 40 FHAB COCc1nnc(NC(=O)c2cc3c(s2)-c2ccccc2CC3)s1 36360956 UURGMDAFTAPSSC-UHFFFAOYSA-N 357.460 3.764 0 40 FHAB COc1ccc(-c2cccc([C@@H]3CCCN(Cc4nccn4C)C3)n2)cc1 72350005 UKCXJZTZUSHCBY-GOSISDBHSA-N 362.477 3.870 0 40 FHAB COc1cccc(O[C@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)c1 224097076 LFRWKLUQSIHIND-GFCCVEGCSA-N 355.419 3.620 0 40 FHAB CC(C)Oc1ccccc1C(=O)NCc1cccc(CN2CCCC2)c1 224627991 XOTZYIRWPUJEJM-UHFFFAOYSA-N 352.478 4.000 0 40 FHAB O=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2ccc(Cl)cc2)[nH]n1 40478259 UBUASVDDNQMHTG-UHFFFAOYSA-N 355.781 3.754 0 40 FHAB Cc1nc([C@@H]2CCCN(CCOc3cccc(C(=O)O)c3)C2)sc1C 574762998 DQPNBJLRRYVXIO-MRXNPFEDSA-N 360.479 3.717 0 40 FHAB COc1ccc(C)cc1NC(=O)Cn1ccc(=O)c2cc(Cl)ccc21 225723603 NDGSMNOUJXIBIL-UHFFFAOYSA-N 356.809 3.611 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccccc1 224139677 CSXTUPOYQNWNEN-OAQYLSRUSA-N 366.505 3.871 0 40 FHAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1cnc(OCCOC)c(C)c1 225905018 FLNIEKNMUPBLOQ-IBGZPJMESA-N 352.475 3.585 0 40 FHAB c1cncc(CN2CCC(Cc3cc(Nc4nccs4)ncn3)CC2)c1 257268478 MLVUZVGUTKJGIQ-UHFFFAOYSA-N 366.494 3.526 0 40 FHAB Cc1ccc(Nc2nccc(C3CCN(C(=O)c4ccccc4)CC3)n2)nc1 257256876 KNGWPBFELKFDSA-UHFFFAOYSA-N 373.460 3.943 0 40 FHAB O=C(c1ccc2ccccc2n1)N1CCCC[C@H]1c1ccn2ccnc2n1 257226267 FJXUBHFWPXSLIM-IBGZPJMESA-N 357.417 3.645 0 40 FHAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N(C)C)[C@H]1c1cccs1 257173721 VQEPTPBLFZKNJB-QZTJIDSGSA-N 356.491 3.773 0 40 FHAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccnc2)S1 260762708 HELJNOWUMUFVJA-NIKGAXFTSA-N 361.474 3.857 0 40 FHAB Cc1ccc([C@@H](C)NC(=O)NCC2CCN(c3ccncc3)CC2)c(C)c1 678502739 RBUKRKNBUKHWQI-GOSISDBHSA-N 366.509 3.975 0 40 FHAB c1ccc(-c2cnc(Nc3cccc(C[C@@H]4CNCCOC4)n3)s2)cc1 585263396 YGRYEPULEZWLFG-OAHLLOKOSA-N 366.490 3.727 0 40 FHAB CN(CCc1ccccc1)C(=O)c1cnn2c(-c3ccccc3)ccnc12 52473886 FQDLFWAZYGYLCC-UHFFFAOYSA-N 356.429 3.711 0 40 FHAB O=C(/C=C/c1ccccc1)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 1615128816 CUMJZVJEFOACHU-JNKLARPZSA-N 369.436 3.662 0 40 FHAB O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)NCc2cccnc2)cc1 897867 LDBIKSGGERMWRJ-MDWZMJQESA-N 357.413 3.664 0 40 FHAB CCCCS(=O)(=O)Nc1cc2c(C(=O)OC)c(CC)oc2cc1C 11615819 JXPDYAZZVIALJZ-UHFFFAOYSA-N 353.440 3.632 0 40 FHAB CCCc1nc2cc(NC(=O)c3cc(-c4ccccn4)n[nH]3)ccc2n1C 12116910 LEGLVNGCGOMBHA-UHFFFAOYSA-N 360.421 3.563 0 40 FHAB COc1cc(CNS(=O)(=O)c2ccc(Cl)cc2)ccc1OC(C)C 13632263 AMAHRUVJIGLXGS-UHFFFAOYSA-N 369.870 3.614 0 40 FHAB Cc1ccc(C)c(Sc2ccc(NC(=O)CN3CSCC3=O)cc2)c1 14820210 IGKBAUWHJUIVLN-UHFFFAOYSA-N 372.515 3.926 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1c(C)cccc1C 15992544 RSLYWHGMKAFSJR-UHFFFAOYSA-N 372.490 3.649 0 40 FHAB CC(=O)c1ccc(OCC(=O)N[C@@H]2CCSc3c(F)cccc32)cc1 16300666 VNJNEYLZPXGNCI-QGZVFWFLSA-N 359.422 3.760 0 40 FHAB O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(Cl)cc1C(=O)O 16450844 OFYBFXZXRPJQKJ-RMKNXTFCSA-N 360.822 3.565 0 40 FHAB O=c1cc([C@H]2CCCCN2Cc2ccc(F)cc2)nc(-c2ccccn2)[nH]1 19402750 JIVTXHYSWQABRC-LJQANCHMSA-N 364.424 3.698 0 40 FHAB COc1ccc(OC)c(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1 19551535 FPKATSSZPDMEBI-INIZCTEOSA-N 351.450 3.960 0 40 FHAB COc1ccc(CN2CCO[C@@H](c3cc4ccccc4cn3)C2)cc1OC 19561127 SNNXESBSKGADHL-JOCHJYFZSA-N 364.445 3.826 0 40 FHAB Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1N1CCCC1 19663968 NRJHXLJZFDZQDJ-MRXNPFEDSA-N 366.461 3.857 0 40 FHAB CCOc1cc(NC(=O)COc2ccc(C)cc2)cc2sc(N)nc12 226312530 GOECRGQIMHVZTF-UHFFFAOYSA-N 357.435 3.603 0 40 FHAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccs2)n2ncnc2N1 4486984 AOONVIKDQNAUBM-OAHLLOKOSA-N 371.853 3.921 0 40 FHAB C=Cc1ccc(Cn2ccn(-c3cccc(Cl)c3C)c(=O)c2=O)cc1 4569928 FDCAWOJQBTWGTB-UHFFFAOYSA-N 352.821 3.652 0 40 FHAB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(C)cc(C)c2)cc1 8843858 ZTAMAZUQBOYNGB-LJQANCHMSA-N 365.433 3.579 0 40 FHAB CSc1cccc(NC(=O)C(=O)N2CCC(Cc3ccccc3)CC2)c1 10326370 XNVPCYJNCRNSLV-UHFFFAOYSA-N 368.502 3.828 0 40 FHAB CCOc1ccccc1NC(=O)C(=O)NC(c1ccccc1)c1ccccc1 10327589 ONPROCSBXRCFOO-UHFFFAOYSA-N 374.440 3.930 0 40 FHAB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4061211 LIQRRNOQIKMVTQ-YRCTWBNTSA-N 360.494 3.811 0 40 FHAB biogenic Nc1cccc(S[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 113562721 GPDYNNNXEGJNOK-CQSZACIVSA-N 367.257 4.000 0 40 FHAB COC(=O)c1cc(CN[C@H](C)c2nc(-c3ccccc3)c[nH]2)ccc1OC 116378594 YYKCFFFHGRUDFT-CQSZACIVSA-N 365.433 3.723 0 40 FHAB O=C(CSc1ccccc1F)N1CCC[C@@H]1c1nnc2n1CCCCC2 40080181 JBJXPEKBHYTLLN-OAHLLOKOSA-N 374.485 3.599 0 40 FHAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1cc2ccccc2[nH]1 40160501 JIWAHWKQWGGQQQ-UHFFFAOYSA-N 369.852 3.600 0 40 FHAB Cc1cccnc1NC(=O)c1cc(=O)c(OCc2ccc(Cl)cc2)co1 40283271 SSGKHOLDFKYVOM-UHFFFAOYSA-N 370.792 3.828 0 40 FHAB Cc1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1F 5978650 VYMZNYPYXCNQSM-UHFFFAOYSA-N 365.408 3.823 0 40 FHAB COC(=O)c1c(C)cccc1NS(=O)(=O)c1ccccc1C(F)(F)F 28794576 WSNWKRBBEBIVJG-UHFFFAOYSA-N 373.352 3.601 0 40 FHAB COc1ccc(-c2nc3nc4ccccc4nc3n2C[C@@H]2CCCO2)cc1 2434527 WTWPAFPMEDREIT-INIZCTEOSA-N 360.417 3.834 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)OCN1C(=O)c2ccccc2C1=O 3367925 QKCWVRXOBLOECI-UHFFFAOYSA-N 365.172 3.796 0 40 FHAB CCCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 3602421 GNYPWOHKNHYOSQ-UHFFFAOYSA-N 366.490 3.943 0 40 FHAB CCn1c(S[C@@H](C)C(=O)N2CCC(C)CC2)nnc1-c1cccs1 4516549 HOFNFCXMXYQLNX-ZDUSSCGKSA-N 364.540 3.766 0 40 FHAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 6168445 GRFIIKJRASAQQI-LBPRGKRZSA-N 366.870 3.669 0 40 FHAB COC(=O)c1c2c(cc3c1C[C@]1(Cc4cc5c(cc4C1=O)CCC5)C3)CCC2 6385164 LVWDRDQXHIEPMF-VWLOTQADSA-N 372.464 3.975 0 40 FHAB O=C(NC(=S)Nc1ccc(CN2CCCCC2)cc1)c1ccccc1 6548448 NZEYCTJBYNLILG-UHFFFAOYSA-N 353.491 3.799 0 40 FHAB CCCCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 6652910 XVWXUILPICFCLG-UHFFFAOYSA-N 374.506 3.597 0 40 FHAB C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1 6932270 NZTBZPFZKRUPMO-APWZRJJASA-N 368.477 4.000 0 40 FHAB Cc1ccc2nc(CSCC(=O)Nc3ccccc3Cl)cc(=O)n2c1 7145796 AEFGMORMECSSQV-UHFFFAOYSA-N 373.865 3.528 0 40 FHAB COC(=O)c1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 7112670 YNVMAZZGSDOJEY-IBGZPJMESA-N 362.385 3.833 0 40 FHAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)c(C)c1 10447388 OQDFPUQJMRZUJX-CQSZACIVSA-N 357.406 3.586 0 40 FHAB COc1ccc(-c2nnc(NC(=O)CCC(=O)c3ccccc3)s2)cc1 9062354 AXLMJVFKDLSCPM-UHFFFAOYSA-N 367.430 3.815 0 40 FHAB COc1ccccc1CC(=O)NCc1ccc(CN2CCC[C@H](C)C2)cc1 32930085 ZLBNOILUZUZZHV-SFHVURJKSA-N 366.505 3.786 0 40 FHAB CC(C)CCNC(=O)C1CCN(c2ncnc3c2oc2ccccc23)CC1 33169549 NGNCPAHQTHFQNO-UHFFFAOYSA-N 366.465 3.755 0 40 FHAB Cc1ccc(N/C=C\c2nnnn2-c2ccc(Br)cc2)cc1 100662047 SAEDHXVPCOJSQN-KHPPLWFESA-N 356.227 3.816 0 40 FHAB O=C(Oc1ccc(Cl)c2ccccc12)c1cccnc1N1CCOCC1 61171808 OTQLIFJJNFZLFX-UHFFFAOYSA-N 368.820 3.944 0 40 FHAB C[C@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(Cl)cc1 25701486 TXTAPEIDRAQKBG-ZDUSSCGKSA-N 357.841 3.906 0 40 FHAB COc1ccc([C@H]2Oc3ccccc3C(=O)N2C(=O)Cc2ccccc2)cc1 59500935 ZTZXBLSZFSOOHO-HSZRJFAPSA-N 373.408 3.998 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)CN2C(=O)c3cccc4cccc2c34)c1 802879 NSWXUVMORGELFY-UHFFFAOYSA-N 374.396 3.534 0 40 FHAB Cc1ccc(OC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)cc1 102592971 CZYJXYLESJQFCL-FVCZOJIISA-N 373.408 3.526 0 40 FHAB O=C(Nc1cccc(Cl)c1F)[C@@H]1CCCN(C(=O)c2ccoc2)C1 23053838 VPKNKYOHXFQYST-LLVKDONJSA-N 350.777 3.563 0 40 FHAB O=C(C1CCN(Cc2nc3ccccc3s2)CC1)N1CCCCCC1 23718081 JXKFYBWSTKYHMN-UHFFFAOYSA-N 357.523 3.911 0 40 FHAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)c1ccccc1 3007774 MSKRBBHGFCQTRQ-GXTWGEPZSA-N 360.816 3.709 0 40 FHAB C[C@H](NC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccc(-n2ccnc2)cc1 12541118 UDVZOESMEQXLPZ-HNNXBMFYSA-N 357.417 3.753 0 40 FHAB COc1ccc(-c2cc(C)c3cc4c(cc3n2)OCO4)cc1CC(=O)O 24513468 KGTAIZBQYWUCRQ-UHFFFAOYSA-N 351.358 3.575 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cccc(Cn3nc(C)cc3C)c2)c1 27970766 RZYYRBRBSDPZJW-UHFFFAOYSA-N 365.433 3.818 0 40 FHAB CC[C@@H]1c2ccsc2CCN1C(=O)Nc1cccc(N2CCNC2=O)c1 47893475 HNZVRMCDGVVAAC-MRXNPFEDSA-N 370.478 3.819 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 20042753 IVWPJLCZKUPJAZ-KBPBESRZSA-N 363.841 3.700 0 40 FHAB CN(C)[C@H](CNC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1ccccc1 25421266 PPNIPEYWHLLJCX-QGZVFWFLSA-N 374.868 3.534 0 40 FHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2ncnc3ccccc23)cc1 3245623 KCDPMQFFVPPFLW-LBPRGKRZSA-N 366.446 3.708 0 40 FHAB COc1ccc2c(c1)C=C(C(=O)Nc1cc(C(C)=O)ccc1OC)C=CO2 15838798 LJZDGXVIFFVZSE-UHFFFAOYSA-N 365.385 3.835 0 40 FHAB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1F 25981073 FHQHJKUAMNWFBE-IBGZPJMESA-N 356.441 3.595 0 40 FHAB Cc1cc2nc(NC[C@H](CO)Cc3ccc(F)cc3)c3ccccc3n2n1 58381270 LFPUOHMXTASOBC-MRXNPFEDSA-N 364.424 3.593 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)COc2ccc(F)cc2)c(OC)c1 12765598 KSLSYCJHPTWTFP-GOSISDBHSA-N 359.397 3.585 0 40 FHAB CS(=O)(=O)c1cccc(C(=O)Nc2ccccc2N2CCCCCC2)c1 12758552 FWADFRRSGMHNIU-UHFFFAOYSA-N 372.490 3.723 0 40 FHAB O=C(CSc1nnc(-c2cccs2)o1)Nc1ccc(F)cc1F 3475067 UWWJNWXTXIESDW-UHFFFAOYSA-N 353.375 3.807 0 40 FHAB COc1cc(C(=O)OCC(=O)c2cc(C)c(C)cc2C)cc(OC)c1C 3449648 DWMKXYWFBOYEMP-UHFFFAOYSA-N 356.418 3.977 0 40 FHAB COc1cc(C(=O)O)cc(Br)c1OCc1ccc(F)cc1 8470217 DIEIQDRKSNUYRK-UHFFFAOYSA-N 355.159 3.874 0 40 FHAB Cc1c(CCC(=O)NC2CC2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 4090108 XIVHFMKVYGEDJJ-UHFFFAOYSA-N 365.429 3.938 0 40 FHAB biogenic CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccccc1Cl 4141400 AFJLVBSVDPYZRZ-HNNXBMFYSA-N 364.854 3.553 0 40 FHAB O=C(CSc1ncnc2cc(-c3ccc(F)cc3)sc12)NC1CC1 6365050 FYKCFGCUVJXMNB-UHFFFAOYSA-N 359.451 3.868 0 40 FHAB COc1ccc2nc(C)c(C(=O)N(C)c3ccc(OC)c(OC)c3)cc2c1 65497402 POXFACIICGFLKN-UHFFFAOYSA-N 366.417 3.846 0 40 FHAB CN(C)CCCn1c([C@@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21 14094750 MWFUZMUCRNDLGV-QGZVFWFLSA-N 362.477 3.509 0 40 FHAB Fc1ccc(C(c2ccc(F)cc2)N2CCN(c3cnccn3)CC2)cc1 14112805 ZECVIYLGRUGIFS-UHFFFAOYSA-N 366.415 3.666 0 40 FHAB COc1ccc2c(c1)[nH]c1c(=O)n(Cc3ccccc3C(F)(F)F)cnc12 5477932 JKFDKIQAZQGEDY-UHFFFAOYSA-N 373.334 3.954 0 40 FHAB CC1CCC(N(C)CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 14241987 BGKUQJSGDPVIJJ-NKELODKYSA-N 372.509 3.632 0 40 FHAB O=C(COc1ccc(-c2nc3ccccc3s2)cc1)NC[C@H]1CCCO1 6507247 RTUOBYRDHAZJJK-MRXNPFEDSA-N 368.458 3.637 0 40 FHAB CCOc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@H]32)cc1 5525136 UDJCJDFCXCKPIX-PZJWPPBQSA-N 350.462 3.842 0 40 FHAB CN(Cc1ccccc1Cl)C(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 6602280 GREQUGKTLKQXHP-UHFFFAOYSA-N 374.912 3.631 0 40 FHAB CS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1 14784695 RIRNSOSZOWSEGF-BJMVGYQFSA-N 369.364 3.761 0 40 FHAB Cc1cc(C(=O)Nc2cccc(Br)c2)c2c(C)nn(C)c2n1 14898311 FFZBSDUGWPCLGU-UHFFFAOYSA-N 359.227 3.600 0 40 FHAB NC(=O)COc1ccc(CNc2ccc(Cl)cc2)cc1Br 408556290 JJXMORCPDOKKTK-UHFFFAOYSA-N 369.646 3.579 0 40 FHAB COc1ccc(CCC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 6831488 ALSUFUVITIMSAV-UHFFFAOYSA-N 374.868 3.757 0 40 FHAB Cc1nnc(CN(C)Cc2cn(-c3ccccc3)nc2-c2cccs2)o1 171121379 MZXRIGLFQOZLHD-UHFFFAOYSA-N 365.462 3.924 0 40 FHAB O=C(CCc1nc2ccccc2[nH]1)NCCc1ccc(C(F)(F)F)cc1 8725637 XVVGUEXSSYHKHU-UHFFFAOYSA-N 361.367 3.873 0 40 FHAB Cc1ccc2c(=O)cc(C(=O)/N=c3/[nH]c4ccc(F)cc4s3)oc2c1C 8969637 GWZFDPWMRYONLO-UHFFFAOYSA-N 368.389 3.833 0 40 FHAB CC[C@H](C)NC(=O)C(=O)c1c(-c2ccc(OC)cc2)cc2ccccn12 408675779 KJWALGQJOFOUDX-AWEZNQCLSA-N 350.418 3.712 0 40 FHAB COc1ccccc1Cc1nnc(-c2cnc3onc(C(C)C)c3c2)o1 71890729 QJIWXYNXFKMPLF-UHFFFAOYSA-N 350.378 3.996 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)CN(C)Cc1ccc(Br)s1 19542379 LDDDIHKKJIMYQT-AAEUAGOBSA-N 359.333 3.637 0 40 FHAB O=C1c2ccccc2C(F)(F)C(=O)N1Cc1ncc(-c2cccs2)o1 96006585 XGFNUXSBZRJMHU-UHFFFAOYSA-N 360.341 3.678 0 40 FHAB O=C(Nc1ccc(NC2CCOCC2)cc1)c1cncn1-c1ccccc1 84576772 NUMPHMVHNJSYHT-UHFFFAOYSA-N 362.433 3.716 0 40 FHAB CS[C@H](C)CCC(=O)OCC(=O)c1cc(C)n(CC(F)(F)F)c1C 95995816 OOLGESYOISTCEN-LLVKDONJSA-N 365.417 3.925 0 40 FHAB C[C@@H](NC(=O)CCc1ccccc1)c1cc(F)ccc1N1CCC(O)CC1 75092861 BEGWXCMPYSGWRL-MRXNPFEDSA-N 370.468 3.597 0 40 FHAB COCCN1C(=O)S/C(=C/c2cccn2-c2ccc(C)cc2C)C1=O 409125824 BCFXOAAVOPUELA-SFQUDFHCSA-N 356.447 3.777 0 40 FHAB CC(C)Oc1ccc(N2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C)CC2=O)cc1 408708567 QNPWUQHJBQGSHD-FCEWJHQRSA-N 358.482 3.522 0 40 FHAB COc1cccnc1NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 60330440 PPYJFACZFGTNNJ-UHFFFAOYSA-N 366.421 3.835 0 40 FHAB O=C(N[C@H](c1nccs1)[C@H]1CCCN(Cc2ccc(F)cc2)C1)C1CC1 72337766 BESPTAZEFHQBGC-WMZOPIPTSA-N 373.497 3.762 0 40 FHAB NC(=O)c1cccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 216919917 KWYFACOKSBGWIL-UHFFFAOYSA-N 350.603 3.745 0 40 FHAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(N2CCCC2=O)cc1 38753960 GKGMXPJPXQQAID-LJQANCHMSA-N 352.434 3.918 0 40 FHAB Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(C(=O)c3ccnn3C)C2)n1 72354080 MSPXGWASHAZYOJ-HXUWFJFHSA-N 374.488 3.734 0 40 FHAB CC(C)CCNC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 8195451 TUDRGTIZRNJTKK-FYWRMAATSA-N 372.490 3.875 0 40 FHAB O=C(/C=C/c1ccsc1)NCC1CCN(c2nc3ccccc3o2)CC1 70932429 OYLLUHTXRFEBJR-AATRIKPKSA-N 367.474 3.935 0 40 FHAB Cc1cc(-c2nnc(NC(=O)CSCc3ccccc3)o2)nn1C(C)C 62007446 IDJFZCDSELEGGP-UHFFFAOYSA-N 371.466 3.694 0 40 FHAB CSc1nc(Cl)cc(N(C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 72203057 AOHJHFGIFADLKH-NSHDSACASA-N 372.922 3.688 0 40 FHAB CCc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)cc1 40130297 GORLORLGVVFABO-WMLDXEAASA-N 372.900 3.786 0 40 FHAB CC1(C)CCc2cc(S(=O)(=O)Nc3ccc(F)cc3F)ccc2O1 223661609 PSSIMAHNSYXCRN-UHFFFAOYSA-N 353.390 3.869 0 40 FHAB CCc1cc(S(=O)(=O)NCc2ccc3ccccc3c2)ccc1OC 222817006 OTQCNLSIOQMZBV-UHFFFAOYSA-N 355.459 3.889 0 40 FHAB O=C(NCCC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(O)c1 40268010 XAAICLBHBHVQGQ-UHFFFAOYSA-N 374.440 3.669 0 40 FHAB COc1ccc(O[C@@H](Cc2ccc(Br)cc2)C(=O)O)cc1 225066351 TVNCDPCGIDLNCA-HNNXBMFYSA-N 351.196 3.532 0 40 FHAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 222521290 OEJZURXBZKEMJU-INIZCTEOSA-N 372.896 3.663 0 40 FHAB Cc1nc(C(F)(F)F)ccc1NC(=O)N1CC[C@H](n2cc(Cl)cn2)C1 569396828 OXRWTIQFSFOQFN-NSHDSACASA-N 373.766 3.738 0 40 FHAB CCCNC(=S)Nc1ncc(Br)c(C)c1Br 223870584 HPBRIIBUKWHCSR-UHFFFAOYSA-N 367.110 3.611 0 40 FHAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 222870147 XOBJBZJATGLLBH-OAQYLSRUSA-N 368.477 3.956 0 40 FHAB COc1ccc(NC(=S)NC2(c3cccnc3)CCCC2)c(OC)c1 225848935 RASSIKQLVKTCSC-UHFFFAOYSA-N 357.479 3.855 0 40 FHAB COc1cccc2cc(C(=O)N[C@H](C)Cc3ccc4c(c3)CCO4)oc12 225598865 JBSYCHXWCOSEHZ-CYBMUJFWSA-N 351.402 3.737 0 40 FHAB COc1cc(Br)c2oc(-c3cccc(-n4cnnc4)c3)nc2c1 45920515 PVOREDODKROQPI-UHFFFAOYSA-N 371.194 3.847 0 40 FHAB COc1ccc(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1C 225179287 QEHRVEWINFKGTH-UHFFFAOYSA-N 371.824 3.979 0 40 FHAB CCOc1ccccc1CCCNC(=S)Nc1cccc(C(=O)OC)c1 225397130 WWLDDWWKJWSBAT-UHFFFAOYSA-N 372.490 3.791 0 40 FHAB O=C(CC(F)(F)F)N1CCC2(CCN(Cc3cccc(F)c3)CC2)C1 96157591 DFGUZZSRPYOHDB-UHFFFAOYSA-N 358.379 3.593 0 40 FHAB Cc1noc(C)c1CN1CCC2(CCCN(Cc3ccccn3)C2)CC1 96063021 ZRNFEIVIWHBTDS-UHFFFAOYSA-N 354.498 3.565 0 40 FHAB CC(C)(C)c1ccc(OCc2nc([C@@H](N)c3ccc(F)cc3)n[nH]2)cc1 95533345 ZZAIUAPVSWQKEU-SFHVURJKSA-N 354.429 3.868 0 40 FHAB Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H](c1ccccc1)N1CCCC[C@H]1C 248125526 WUTXIZZJCLRCEZ-IIBYNOLFSA-N 368.525 3.611 0 40 FHAB COc1ccc([C@@H](NC(=O)N[C@@H]2CCOc3c(C)cccc32)C2CC2)cn1 527884836 QVCUHEHUZZSTJO-MJGOQNOKSA-N 367.449 3.673 0 40 FHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@H]3C[C@H]3C)cc2N1 257207678 BISQCRGCBIDFLI-RKEKIRQTSA-N 370.419 3.900 0 40 FHAB CCN1CCc2nc(NC(=O)/C=C/c3ccc([C@H]4C[C@H]4C)o3)sc2C1 253621159 ZOZKASDYEMQXJD-FROLJDDGSA-N 357.479 3.889 0 40 FHAB O=C(NCC1CCC1)c1cnc(Nc2ccccc2)nc1C(F)(F)F 649606189 VTLVCHCUEQSJNF-UHFFFAOYSA-N 350.344 3.769 0 40 FHAB CC(C)c1nn(-c2ccccc2)cc1CNC(=O)NC[C@@H]1CCOC1(C)C 664425208 IIYKVWMKLINSES-KRWDZBQOSA-N 370.497 3.610 0 40 FHAB COc1ccc(-c2cc(CN3CC[C@@H]4[C@H](CCCN4C4CC4)C3)on2)cc1 676712553 OOVXSWSPUPHUTR-VGOFRKELSA-N 367.493 3.799 0 40 FHAB Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)n1 589579401 FOCDDRJVBMEXKA-AEFFLSMTSA-N 369.465 3.586 0 40 FHAB COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)CCC(=O)O)c1 668314622 UJSXETMEIXUBGM-NQIIRXRSSA-N 353.418 3.617 0 40 FHAB COc1ccc(CNC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cc1 47727707 OJVJRCXZHPPOOA-UHFFFAOYSA-N 373.840 3.563 0 40 FHAB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1O 8109390 TYSOTNXNGHSWRU-MHWRWJLKSA-N 371.414 3.646 0 40 FHAB CCN(CC(=O)Nc1cc(Cl)ccc1F)Cc1ccc2c(c1)OCO2 11351539 RSTNSINUAGAANY-UHFFFAOYSA-N 364.804 3.668 0 40 FHAB COc1ccc2c(=O)c(Oc3ccc(C(=O)NC4CC4)cc3)c(C)oc2c1 12442373 WIHQJNABEHECNI-UHFFFAOYSA-N 365.385 3.795 0 40 FHAB biogenic Fc1cccc(CN2CCC(c3noc(-c4ccncc4)n3)CC2)c1F 12668934 UPJCDEMXPFZWOU-UHFFFAOYSA-N 356.376 3.789 0 40 FHAB O=C(Nc1nnc(-c2ccccc2)s1)c1cccc(N2CCCC2=O)c1 18088775 SANGAXHKZXEVGU-UHFFFAOYSA-N 364.430 3.584 0 40 FHAB O=C(c1ccc(F)cc1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 19331969 HWBXZKGKDAFQMG-ZDUSSCGKSA-N 357.410 3.957 0 40 FHAB CC(C)Cc1cc(C(=O)Nc2ccc3nc(C(C)C)sc3c2)nc(=O)[nH]1 19447485 UOJTVMJDLGGROJ-UHFFFAOYSA-N 370.478 3.954 0 40 FHAB CCC(=O)N1CCC[C@@](Cc2ccc(-c3ccc(C)cc3)cc2)(C(N)=O)C1 19498577 OJAJFQJTIAJTJF-QHCPKHFHSA-N 364.489 3.709 0 40 FHAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)c(Cl)c2)C1=O 205710491 ADHKZIUSMPAERB-WUXMJOGZSA-N 374.245 3.981 0 40 FHAB COC(=O)c1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 226365142 RXBPJVSXCZKDHV-UHFFFAOYSA-N 369.186 3.962 0 40 FHAB C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)NCC[C@@H]1CCCOC1 528093895 CCAQQMBTZTXVPL-VKJFTORMSA-N 366.889 3.628 0 40 FHAB COc1cccc(C2(NC(=O)NCc3c(C)cc(C)nc3OC)CCC2)c1 663949468 CVOQPFZUTIFFOS-UHFFFAOYSA-N 369.465 3.594 0 40 FHAB O[C@]1(c2ccc(OC(F)F)cc2)CN(c2ccccc2)C2=[N+]1CCCCC2 4086842 QKOXMBDDYDGCGF-NRFANRHFSA-N 373.423 3.938 0 40 FHAB CCOc1cccc2sc(NC(=O)c3cccc(OC)c3OC)nc12 4479334 AYLRARYSLDMNMV-UHFFFAOYSA-N 358.419 3.965 0 40 FHAB CC(C)c1ccc(Cc2nnc(Nc3ccc4c(c3)OCO4)nc2O)cc1 16777520 KVYXCFWULQYDLP-UHFFFAOYSA-N 364.405 3.764 0 40 FHAB O=C(NC[C@@H](c1ccsc1)N1CCOCC1)c1cccc2ccccc12 22765903 YCKDPNDGCVUDCL-FQEVSTJZSA-N 366.486 3.705 0 40 FHAB Cn1cccc1[C@@H](O)CCNC(=O)C1c2ccccc2Oc2ccccc21 225592655 XYUBILOIOVMFOG-SFHVURJKSA-N 362.429 3.503 0 40 FHAB Cc1nc(C)c(C(=O)N2CCC(c3nc4ccccc4cc3N)CC2)s1 12087804 PYAMHFKWNRCGCO-UHFFFAOYSA-N 366.490 3.910 0 40 FHAB O=C(N1CCN(CCc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 22429359 VSFYVNDRAWTPAR-UHFFFAOYSA-N 352.522 3.590 0 40 FHAB O=C(NCc1cccc(C(F)(F)F)c1)c1cn2cc(Cl)ccc2n1 20032150 LCHZJAIHNXOICD-UHFFFAOYSA-N 353.731 3.937 0 40 FHAB C[C@@H](CNC(=O)Nc1ccccc1Cn1cccn1)N(C)c1ccccc1 40105561 TWMSAVIEJSSKRI-KRWDZBQOSA-N 363.465 3.578 0 40 FHAB C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1nc2cc(Cl)ccc2n1C 40153912 SZKSTYZWODILQY-SWLSCSKDSA-N 368.868 3.594 0 40 FHAB CCOC(=O)c1ccsc1NC(=O)CSc1cc(F)ccc1F 11018632 WKPQQLUONWXSTC-UHFFFAOYSA-N 357.403 3.934 0 40 FHAB Cc1sc2nc(SCCO)n(-c3ccc(Cl)cc3)c(=O)c2c1C 7038160 QGTRQLDTYAVHEZ-UHFFFAOYSA-N 366.895 3.802 0 40 FHAB O=C(COC(=O)Cc1ccc(F)cc1)NCc1ccc(Cl)cc1Cl 7058611 ZOTVXCZLKYESAI-UHFFFAOYSA-N 370.207 3.535 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3C)o2)cc1 870512 RIHFCCMTMREUFS-UHFFFAOYSA-N 369.446 3.996 0 40 FHAB O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN(c2ncccn2)C1 1357866 YVWUIEGYIOMUNA-FQEVSTJZSA-N 372.472 3.599 0 40 FHAB CCCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccco1 1364337 BBCZYRMZFLTFGR-UHFFFAOYSA-N 357.435 3.932 0 40 FHAB O=C(NC1C[C@H]2CCC[C@H](C1)N2C1CC1)c1ccc(Br)cc1 1369735 QMICLPQCRGCPHT-IAGOWNOFSA-N 363.299 3.727 0 40 FHAB CC(=O)Nc1cccc(C2=C[C@@H](c3ccccc3Cl)n3ncnc3N2)c1 100834961 SNROAMZCWFLGEB-SFHVURJKSA-N 365.824 3.946 0 40 FHAB COc1ccc(NC(=O)CCCc2nc(-c3ccccc3OC)no2)cc1 4434016 GKQDEKJRMWJSDX-UHFFFAOYSA-N 367.405 3.715 0 40 FHAB CCN(CC)C(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 6023948 OBRCMEBYKDUIMN-UHFFFAOYSA-N 374.506 3.895 0 40 FHAB CN(CCN(C)C(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 6638036 LDLBKKIOAADFGK-UHFFFAOYSA-N 365.260 3.838 0 40 FHAB O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCCCCC2)cs1 6680734 RNJIGXJOUNJWIH-UHFFFAOYSA-N 364.492 3.565 0 40 FHAB CCCc1n[nH]c(=S)n1NCc1cc(Cl)c(OC)c(OCC)c1 7601366 YDTCVWLAEPHQSH-UHFFFAOYSA-N 356.879 3.698 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@H]2CC(O)=Nc3cc(-c4ccccc4)nn32)cc1 20730123 BNJISOHIJDHSLH-GOSISDBHSA-N 374.400 3.924 0 40 FHAB CCOc1cccc(CNn2c(C)n[nH]c2=S)c1OCc1ccccc1 8325533 ZZVDLKBZJMSJQP-UHFFFAOYSA-N 370.478 3.971 0 40 FHAB COc1ccc(CCC(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)cc1 8959843 QQHJZIBRSREGBX-UHFFFAOYSA-N 368.433 3.624 0 40 FHAB Cc1cnc2c(S(=O)(=O)N(C)[C@H]3CCc4ccccc43)cccc2c1 29391853 QSPWAXYCRZNUMV-SFHVURJKSA-N 352.459 3.851 0 40 FHAB O=C(CS[C@H]1CCc2ccccc2N=C1O)NCCc1ccccc1 11865934 QFEXBFVAQKDNMP-SFHVURJKSA-N 354.475 3.682 0 40 FHAB O=C(NCc1ccccc1Cn1cccn1)c1cc(-c2cccs2)on1 21445442 AJKVVALNQXPCTG-UHFFFAOYSA-N 364.430 3.578 0 40 FHAB CC(C)(C)c1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 9458123 GAEJLEQTAHTECO-KRWDZBQOSA-N 350.462 3.971 0 40 FHAB Fc1ccc(-c2cc3ncnc(N4CCC5(CC4)OCCO5)c3s2)cc1 32829571 UBENIGWSEAVUAU-UHFFFAOYSA-N 371.437 3.841 0 40 FHAB Cc1cc2cc(NC(=O)[C@@H]3CCCN3C(=O)C3CCCCC3)ccc2[nH]1 52589051 VVUSGMKLCBKYDF-IBGZPJMESA-N 353.466 3.986 0 40 FHAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)[nH]n2)cc1 29997977 WQZIDSPGOTWWQA-UHFFFAOYSA-N 374.444 3.873 0 40 FHAB Cc1ccc(C)c([C@H](C)NC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 24959175 CFFKRULYPAWQDZ-INIZCTEOSA-N 364.445 3.557 0 40 FHAB O=C(Nc1ccccn1)C1CCN(Cc2ccc(F)c3cccnc23)CC1 52829101 RBMREQDKJYHFOW-UHFFFAOYSA-N 364.424 3.620 0 40 FHAB CN(C(=O)/C=C/c1cn(Cc2ccccc2)nn1)[C@H]1CCCc2ccccc21 15585744 LIHQADHQMLJWAY-FRFYRWIFSA-N 372.472 3.876 0 40 FHAB COc1ccc(N)cc1NC(=O)COc1c(C)cc(Cl)cc1Cl 57340359 NCCLHUDXPAYSJO-UHFFFAOYSA-N 355.221 3.910 0 40 FHAB O=C(Nc1ccc(I)cc1)c1cc(F)ccc1F 22562921 KRIWCODXDMTYMI-UHFFFAOYSA-N 359.113 3.822 0 40 FHAB Cc1cc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)ccc1Oc1cccnc1 103768011 RBILLJWLJNQMFZ-QAMTZSDWSA-N 364.401 3.644 0 40 FHAB Cc1cc(Br)ccc1NC(=O)c1nnn(-c2ccccc2)c1C 54937471 JVAHBKXGPWNFKX-UHFFFAOYSA-N 371.238 3.899 0 40 FHAB Cc1ccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)cc1C(F)(F)F 24747287 SLOVAZRJBJUICA-UHFFFAOYSA-N 350.296 3.597 0 40 FHAB Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc2c(c1)Cc1ccccc1-2 55564717 OLDQTBAFGZGVLO-UHFFFAOYSA-N 373.865 3.754 0 40 FHAB Cn1ccnc1[C@H](NC(=O)c1ccc(Cl)cc1F)c1ccccc1F 12507700 FSMIQXJIOVOOCD-MRXNPFEDSA-N 361.779 3.871 0 40 FHAB CC(C)(C)NC(=O)CNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 7449349 NNQNZPUCOAMEAC-UHFFFAOYSA-N 369.248 3.898 0 40 FHAB O=C(Oc1cccc2[nH]ncc12)c1cnn(Cc2ccccc2Cl)c1 58025433 PPUDVUJUUVVWPU-UHFFFAOYSA-N 352.781 3.680 0 40 FHAB COc1ccc(-c2nnc([C@@H](C)Sc3nnc4n3CCCCC4)o2)cc1 10021675 ZQCROEKAHHZKEY-GFCCVEGCSA-N 371.466 3.916 0 40 FHAB Cc1cc(SCC(=O)NCc2cccnc2)c(C)cc1Br 17169157 XYMNHSSVYIHAKS-UHFFFAOYSA-N 365.296 3.869 0 40 FHAB O=C(NC[C@@H](C(=O)O)c1c[nH]c2ccccc12)c1ccc2ccccc2c1 58297517 HTGXXUUFNDPBES-LJQANCHMSA-N 358.397 3.919 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)[S@](=O)Cc2c(Cl)cccc2Cl)no1 58292296 SRHKNRGFBGYFLU-CLTRCRFRSA-N 361.250 3.566 0 40 FHAB O=C(CSc1nncn1C1CC1)Nc1ccc(SC(F)F)cc1 12616578 HCMXWXYNORUYPJ-UHFFFAOYSA-N 356.423 3.659 0 40 FHAB O=C(CSc1nc(/C=C/c2ccco2)n[nH]1)Nc1ccc(F)c(F)c1 10623357 YSMJXNBSOAVOHJ-GQCTYLIASA-N 362.361 3.577 0 40 FHAB O=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccccc1N1CCOCC1 12608872 CFSFRQADDDXFFR-UHFFFAOYSA-N 372.852 3.778 0 40 FHAB Cc1nc2ccccc2c(C)c1CC(=O)NCCn1c(C)nc2ccccc21 10737139 WRUXVAGFWFQCCJ-UHFFFAOYSA-N 372.472 3.869 0 40 FHAB O=C(CCC(=O)c1ccc(Br)cc1)NCc1ccccc1F 15976797 RAHWHRIWOISHOB-UHFFFAOYSA-N 364.214 3.868 0 40 FHAB COC(=O)COc1ccc2c(=O)c(Oc3ccccc3F)coc2c1C 3303200 BHKBTMCGOQIVHT-UHFFFAOYSA-N 358.321 3.585 0 40 FHAB CC(=O)c1ccc(NC(=S)NC[C@@H](c2ccco2)N2CCCC2)cc1 3330111 HSQLSPXKFVHSIA-KRWDZBQOSA-N 357.479 3.606 0 40 FHAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)COc1ccc(C)c(C)c1 20143815 XZOFDEMDFYTHKW-UHFFFAOYSA-N 363.797 3.681 0 40 FHAB CCCCOc1ccc(/C=C/C(=O)Nc2nc(CC(=O)OC)cs2)cc1 62715085 LFHWHGMZGFDPLY-JXMROGBWSA-N 374.462 3.689 0 40 FHAB Cc1cc(O)c2c(C)c(CC(=O)Nc3ccc4[nH]ccc4c3)c(=O)oc2c1 12892649 FPDSWOFFNSQRKB-UHFFFAOYSA-N 362.385 3.778 0 40 FHAB biogenic COc1ccc([C@H](CNC(=O)c2cccc(F)c2)N2CCCCC2)cc1 3402865 JWBLIAMYGCSCBI-FQEVSTJZSA-N 356.441 3.791 0 40 FHAB CCc1cc2c(N3CCC[C@H]3C(=O)Nc3ccccc3)ncnc2s1 12919531 KJESNNNSGCTSND-INIZCTEOSA-N 352.463 3.861 0 40 FHAB O=C(COc1ccc2ccccc2c1)NCc1ccc(N2CCCC2)nc1 12928255 WUWKUPHEWRXWAY-UHFFFAOYSA-N 361.445 3.530 0 40 FHAB O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)c1ccc(Cl)s1 3531955 ISNQFOKUGJSXFA-UHFFFAOYSA-N 354.859 3.619 0 40 FHAB COc1ccc([C@]2(C)NC(=O)N(Cc3ccc(C(C)(C)C)cc3)C2=O)cc1 7737195 SJRHSADCZFLGTJ-QFIPXVFZSA-N 366.461 3.960 0 40 FHAB Cc1ccc(F)c(NC(=O)CCc2c(C)[nH]n(-c3ccc(F)cc3)c2=O)c1 13017730 DRQHXVWDILJMEE-UHFFFAOYSA-N 371.387 3.632 0 40 FHAB CC[C@@H](OC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1cc(C)on1 16118700 NVUJCSXQDMRCPN-GFCCVEGCSA-N 357.193 3.864 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 6328764 HTEGUXOLEMNSAQ-UHFFFAOYSA-N 363.769 3.751 0 40 FHAB O=C(Nc1cc(Cl)ccc1O)c1ccccc1I 4499617 CSXZRHCYCOGDCG-UHFFFAOYSA-N 373.577 3.903 0 40 FHAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H]1Cc2ccc(C)cc2S1 14046232 WAAIITXFLGWXQN-IBGZPJMESA-N 368.502 3.671 0 40 FHAB COc1ccc([C@H](NCc2nnnn2-c2ccccc2)c2ccccc2)cc1 14169625 SKPCPIDOAQCDJK-JOCHJYFZSA-N 371.444 3.550 0 40 FHAB CC(C)NC(=O)Nc1ccc(C(=O)Nc2cnc(C(C)(C)C)nc2)cc1 65608324 FKKWNNBEKROJQS-UHFFFAOYSA-N 355.442 3.556 0 40 FHAB COc1ccc(NC(=O)[C@@H](C)Oc2cccc3cccnc23)cc1OC 14251665 OPDSJBLUWVASHE-CYBMUJFWSA-N 352.390 3.658 0 40 FHAB COc1ccc(Oc2nc(C)nc3c2nnn3Cc2ccc(F)cc2)cc1 4785031 HEQMQXCBJYIMAO-UHFFFAOYSA-N 365.368 3.518 0 40 FHAB CCSc1nnc(NC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)s1 6811433 LBCCMNCKMWGKKV-UHFFFAOYSA-N 361.448 3.626 0 40 FHAB CCCn1nc(C(=O)N[C@@H](c2cccs2)C(C)C)c2ccccc2c1=O 15182939 LYXLMIBOXVSHEG-QGZVFWFLSA-N 369.490 3.995 0 40 FHAB Cc1nnc(SCC(=O)N[C@@H](C)c2cccs2)n1Cc1ccccc1 8750291 SFGPXWKUIHRDRP-ZDUSSCGKSA-N 372.519 3.666 0 40 FHAB O=C(/C=C/c1cc(F)cc2c1OCOC2)N[C@@H]1CCCc2ccccc21 8882003 JREXPEBIXQHZJJ-CSHXORCISA-N 353.393 3.899 0 40 FHAB C[C@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1ccc(F)cc1 9533096 DGVLALGWISYMAI-NSHDSACASA-N 373.409 3.547 0 40 FHAB CC(C)Nc1nnc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)s1 9049943 JVPFSXIIYZGJAR-UHFFFAOYSA-N 366.556 3.536 0 40 FHAB CC(C)Nc1nnc(S[C@H](C)C(=O)Nc2cc(F)ccc2F)s1 9049444 AHCFHHHVYDOVJP-MRVPVSSYSA-N 358.439 3.756 0 40 FHAB COc1cccc(C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)c1 19819259 YYMXEOZHIFCWMV-UHFFFAOYSA-N 373.412 3.545 0 40 FHAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCO[C@H](C)C2)cc1 9853947 AAXVSEVUCSNCFB-QGZVFWFLSA-N 361.445 3.709 0 40 FHAB CCn1nnnc1-c1cccc(NC(=O)COc2ccc(C(C)C)cc2)c1 72291493 FIQFIDADGVZLKZ-UHFFFAOYSA-N 365.437 3.501 0 40 FHAB COc1cccc(-c2nc(COC(=O)c3ccc(C)nc3)cs2)c1OC 24131229 CWOXHPHASNIJRF-UHFFFAOYSA-N 370.430 3.888 0 40 FHAB O=C(NCC1(c2ccccc2)CCCCC1)C1CCN(C(=O)C2CC2)CC1 25250842 QJVJHTRZBJQURQ-UHFFFAOYSA-N 368.521 3.653 0 40 FHAB CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(OC(F)F)c1C 79051707 UPQBFKDCPLBHKL-SUXZAAGHSA-N 374.453 3.798 0 40 FHAB O=C(/C=C/c1ccccc1)Nc1cc2nc(O)[nH]c2cc1N1CCCCC1 408531571 KSXFMNXVKYJHRH-MDZDMXLPSA-N 362.433 3.911 0 40 FHAB C[C@H](c1ccsc1)N1CCN(C(=O)c2cnc3ccsc3c2)CC1 545202897 XOEGOWYWBXQMQR-CYBMUJFWSA-N 357.504 3.877 0 40 FHAB Cc1cc(SCC(=O)NCc2ccccc2)nc(-c2ccc(F)cc2)n1 67257066 PSYTZIAIGMLRKT-UHFFFAOYSA-N 367.449 4.000 0 40 FHAB CN1C(=O)S/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O 408771703 BFDLNBDRQSXZGQ-XYOKQWHBSA-N 357.416 3.973 0 40 FHAB CC[C@@H](Oc1ccccc1)C(=O)N(C)Cc1nnc(-c2ccccc2)o1 408714187 KRVRHGNMHAKTRZ-QGZVFWFLSA-N 351.406 3.553 0 40 FHAB COc1cc(NC(=O)[C@H](NC(=O)C2CCC(C)CC2)C(C)C)ccc1C 1505840680 PFSVEUHWDDFBTL-GSQSYGFSSA-N 360.498 3.909 0 40 FHAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(Br)cc3)C2=O)c1 409235237 ZEEULUGDEPUGFE-MHWRWJLKSA-N 371.234 3.850 0 40 FHAB CSc1nc(Cl)cc(O[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 72203147 PDCSCVFCDBYSHG-SNVBAGLBSA-N 359.879 3.630 0 40 FHAB COc1cccc(NC(=O)Cn2c3c(c4ccccc42)CCC3)c1OC 36708650 YVMVMXHKKPYXRN-UHFFFAOYSA-N 350.418 3.786 0 40 FHAB Cc1ccc([C@H](C)NC(=O)CCCN2C(=O)c3ccccc3C2=O)c(C)c1 216373198 BNTYBNWUQXUGOL-INIZCTEOSA-N 364.445 3.557 0 40 FHAB O=C(Cc1cc2ccccc2c(O)n1)N1C[C@@H]2CCCCN2c2ccccc21 564776862 BIEOZWLOVACJDC-SFHVURJKSA-N 373.456 3.889 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(CN3CCCC3)cc2)c(C)c1 44873123 NBZUZZFCAXIGOT-IBGZPJMESA-N 366.505 3.983 0 40 FHAB COc1ccc(NC(=S)NCc2ccc(OC(C)C)cc2)c(OC)c1 225445893 ZPIUTLRGQIHLKA-UHFFFAOYSA-N 360.479 3.978 0 40 FHAB COc1ccc(NC(=O)C2(C)COC3(CCCC3)OC2)cc1C(F)(F)F 225954663 CRJQGPCQUSFJTI-UHFFFAOYSA-N 373.371 3.976 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 224597561 CIWCFCPWYUAHJV-MRXNPFEDSA-N 370.468 3.924 0 40 FHAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 225254161 KBLUJYHUGXZCDA-FQEVSTJZSA-N 370.468 3.702 0 40 FHAB O=C(Nc1ccc(-n2ccnc2)cc1)c1ccc(N=c2cc[nH]cc2)cc1 573285416 ICYHGPQNUCMCJX-UHFFFAOYSA-N 355.401 3.685 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=S)NCCSC(C)(C)C)c1 225351789 JOTZEQLLLQJGAC-UHFFFAOYSA-N 354.541 3.990 0 40 FHAB O=C(c1cccc(Cl)c1)N1CCN(c2cc(-c3cccs3)n[nH]2)CC1 98211815 DIPVRVNVENBRGH-UHFFFAOYSA-N 372.881 3.754 0 40 FHAB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3)C2=O)c1 96583582 UOCZZNTYJIYOCZ-GZTJUZNOSA-N 366.442 3.978 0 40 FHAB COc1ccc([C@H]2CC(=O)Oc3ccc4c(C)cc(=O)oc4c32)cc1OC 96221716 FEPZFRXXTWLJMK-CQSZACIVSA-N 366.369 3.560 0 40 FHAB biogenic Cc1cn(C)c([C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)n1 257235878 GZYHXNABLCHISE-KRWDZBQOSA-N 350.466 3.549 0 40 FHAB CCOCC[C@H]1CN(C(=O)c2cc3ccccc3s2)Cc2ccnn21 253380738 BNUHPVYGAGJXAT-INIZCTEOSA-N 355.463 3.722 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2NC(=O)OCc2ccccc2)C1 606242751 AYCRMAQBNMOQAX-UZLBHIALSA-N 360.454 3.702 0 40 FHAB CC[C@H](CC(=O)N1CC[C@H](N(C)C(=O)c2ccoc2)C1)c1ccc(C)cc1 1775996828 JTRHKYNGMXVIHW-XLIONFOSSA-N 368.477 3.845 0 40 FHAB c1ccc(CN2C[C@@H](c3nc(-c4ccsc4)no3)[C@]3(CCOC3)C2)cc1 685942147 FGQCMTOVLJGTGR-FXAWDEMLSA-N 367.474 3.804 0 40 FHAB Cc1nocc1C(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1ccc(F)cc1 1615160924 UQSWGVYZJDMCJV-KDOFPFPSSA-N 357.429 3.642 0 40 FHAB O=C1CO[C@]2(CCCN(C3CCCCCC3)C2)CN1c1cccc(F)c1 1615121056 MLRFJBQJCZRGAU-NRFANRHFSA-N 360.473 3.746 0 40 FHAB Cc1n[nH]c(C)c1Nc1cnn(C23CC4CC(CC(C4)C2)C3)c(=O)c1Cl 5053617 RSIGGOQQOTWFQS-UHFFFAOYSA-N 373.888 3.906 0 40 FHAB COc1ccc(CC(=O)Nc2ccc(N3CCCC3)c(C)c2)c(OC)c1 11325852 ZPALOYQDBOKUAR-UHFFFAOYSA-N 354.450 3.794 0 40 FHAB Cc1cc(C)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C 12042854 RYQWWIOIVJEHOB-UHFFFAOYSA-N 372.534 3.740 0 40 FHAB CCN(CC)C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 12604773 TZVULTFTTPFTFZ-UHFFFAOYSA-N 360.479 3.586 0 40 FHAB O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)N(Cc2ccc(Cl)cc2)C1 15674904 SDIUYVUBCHWKEZ-SJORKVTESA-N 373.815 3.837 0 40 FHAB biogenic,in-vitro CCCOc1cc(C)c(S(=O)(=O)N2CCc3ccccc3C2)cc1C 16780579 BDFYVFYDTNCJFS-UHFFFAOYSA-N 359.491 3.839 0 40 FHAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 19286812 XBJSGUQUVXRHPM-GOSISDBHSA-N 350.466 3.743 0 40 FHAB CC(C)[C@H](NC(=O)c1cc(C2CC2)on1)c1ccc2c(c1)OCCCO2 19445825 ZJZHKPPUUPVFHC-IBGZPJMESA-N 356.422 3.840 0 40 FHAB COc1ccc(CN(C(=O)C2[C@H]3CCCC[C@@H]23)C2CCN(C)CC2)cc1 19588137 WPTAPHDKNNHVOQ-WCRBZPEASA-N 356.510 3.554 0 40 FHAB COc1ccccc1N1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 3480217 IYVKOTMDUGPQLW-DHZHZOJOSA-N 356.853 3.711 0 40 FHAB CN1Cc2ccccc2OC2(CCC(N(C)C(=O)c3ccccc3)CC2)C1 19590867 LOVLKLRWYAFIFH-UHFFFAOYSA-N 364.489 3.964 0 40 FHAB Cc1cnc(N(C)[C@H]2CCCN(C(=O)Nc3ccc(C)c(C)c3)C2)nc1 1889179569 IYCIDQFBHXMEPJ-SFHVURJKSA-N 353.470 3.535 0 40 FHAB O=C(O)c1ccc(CNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 13092202 SHHZFYQYUNWPHN-UHFFFAOYSA-N 361.397 3.894 0 40 FHAB Cc1noc([C@@H]2CN(C(=O)NCc3cccs3)C[C@H]2c2ccccc2)n1 238971831 ZMGSEPJJIWDOSA-DLBZAZTESA-N 368.462 3.532 0 40 FHAB Cc1nccc(CN2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)n1 2037989176 YNBDXHDGWJUZGA-NRFANRHFSA-N 354.473 3.948 0 40 FHAB O=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)c1c(F)cccc1F 5373810 SNALYKUGTICEOH-UHFFFAOYSA-N 356.372 3.906 0 40 FHAB CN1C(=O)c2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C1=O 12139972 QLKQIVGQWAUTAA-UHFFFAOYSA-N 356.381 3.832 0 40 FHAB CN(C)C(=O)C1(Nc2ccccc2)CCN(Cc2cccc(Cl)c2)CC1 2055751080 GIXHMEFHJRHKDM-UHFFFAOYSA-N 371.912 3.875 0 40 FHAB O=C(CC1=CCCCC1)N1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 2055835217 PQZOKTLVCDCPRP-WIYYLYMNSA-N 356.466 3.501 0 40 FHAB COC(=O)c1ccc(NC(=O)Cc2cc(-c3ccc(F)cc3F)on2)cc1 23127183 XOYCNGVWNSVEKN-UHFFFAOYSA-N 372.327 3.588 0 40 FHAB O=C(CSc1ccc(F)cc1)NCc1nccnc1-c1ccsc1 575617985 CNGUSLLWXBOHAS-UHFFFAOYSA-N 359.451 3.753 0 40 FHAB Cc1nn(-c2nnc3c(n2)[nH]c2ccccc23)c(C)c1Cc1ccccc1 6167183 GNRPZQIGRXWPAX-UHFFFAOYSA-N 354.417 3.899 0 40 FHAB CC[C@H]1CN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCO1 40062966 VTWQIVIJYOGNOO-LBPRGKRZSA-N 355.278 3.975 0 40 FHAB C[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc(F)c(F)c1 7306888 STGDNPZQFIBALI-LBPRGKRZSA-N 351.418 3.883 0 40 FHAB COc1ccc(O)c(C(=O)c2cnn(-c3ccccc3Br)c2)c1 28753596 CFPZKIXZUARFRB-UHFFFAOYSA-N 373.206 3.580 0 40 FHAB O=C(NCc1ccc(O)cc1)N1CCC[C@H](c2nc3ccccc3o2)C1 45527336 LHSSLCHAUKYIQJ-HNNXBMFYSA-N 351.406 3.623 0 40 FHAB O=C1N=C2C=CC=CN2[C@@](c2ccc(F)cc2)(C(Cl)(Cl)Cl)N1 823260 JXNQUZIAELVQIN-ZDUSSCGKSA-N 360.603 3.856 0 40 FHAB Nc1c(Br)cc2c(c1Br)[C@@H](O)c1ccccc1-2 1705938 SRHBQUDENOVTPK-ZDUSSCGKSA-N 355.029 3.856 0 40 FHAB CCOC(=O)c1cc2sc(C)cc2n1CC(=O)NCc1ccc(F)cc1 1338222 VFQIVKZUNCYPMP-UHFFFAOYSA-N 374.437 3.643 0 40 FHAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(C)=O)cc2c1 1366979 NIUXACQZSRVMDQ-UHFFFAOYSA-N 368.408 3.615 0 40 FHAB CS(=O)(=O)c1ccccc1C(=O)N[C@H](c1cccs1)C1CCCC1 31805201 GTELECRCLFBWMI-KRWDZBQOSA-N 363.504 3.813 0 40 FHAB CSc1nnc(NC(=O)c2cc(Br)ccc2Cl)s1 4079477 DNEHPIRVAVQKHX-UHFFFAOYSA-N 364.677 3.928 0 40 FHAB COC(=O)c1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(c2cccc(C)c2)C(=S)N1 4372254 QCLIBIYXPHWCSH-JXFKEZNVSA-N 368.458 3.716 0 40 FHAB CN(C)[C@@H](CNc1nc(-c2cccnc2)nc2ccccc12)c1ccco1 6086253 FANLNKSLVQMULC-SFHVURJKSA-N 359.433 4.000 0 40 FHAB COC(=O)c1c(NC(=O)CC2(CC(=O)O)CCCCC2)sc(C)c1C 32496871 FWVRKZGAXRRXSK-UHFFFAOYSA-N 367.467 3.905 0 40 FHAB CCOc1cccc2c(C)nc(Nc3ncc4c(n3)C[C@@H](C)CC4=O)nc12 10157459 RKCJGTKPYNQWNT-LLVKDONJSA-N 363.421 3.636 0 40 FHAB CCCOc1ccccc1NS(=O)(=O)c1cc(C(=O)O)cc(C)c1C 8108271 XRNFWEBNTHCDKP-UHFFFAOYSA-N 363.435 3.591 0 40 FHAB CC1=CC(C)(C)N(C(=O)CSc2nnc(N)s2)c2c(C)cccc21 9938105 ZSMZWTCLAFFOIN-UHFFFAOYSA-N 360.508 3.750 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)c1cn(C)c2ccccc12)c1cccc(F)c1 24015260 OBVZTDJUFIKDJO-IBGZPJMESA-N 362.408 3.570 0 40 FHAB CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccc2c(c1)OCO2 2695036 YWZNEBQGCVVABY-UHFFFAOYSA-N 367.430 3.669 0 40 FHAB CCCc1nnc(NC(=O)c2cc(-c3ccc(OCC)cc3)on2)s1 11915174 PGBXRFXLFQGGFC-UHFFFAOYSA-N 358.423 3.797 0 40 FHAB c1csc(-c2csc3nc(CN4CCOCC4)nc(NC4CC4)c23)c1 22341824 ZWTRIVBEZMEOCU-UHFFFAOYSA-N 372.519 3.826 0 40 FHAB O=C(CCCc1nc(-c2cccs2)no1)Nc1cccc2cn[nH]c12 46747299 CZBYAJLHUZTFMD-UHFFFAOYSA-N 353.407 3.636 0 40 FHAB CCc1nc(NC(=O)c2ccccc2I)sc1C 42313492 HVYZRRWBXURCJJ-UHFFFAOYSA-N 372.231 3.871 0 40 FHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 23504042 PTVDRYFDEBXMCI-LBPRGKRZSA-N 367.417 3.510 0 40 FHAB CC(C)N(Cc1ccccc1)C(=O)c1ccc(Cn2ccccc2=O)o1 24031355 BMFPMFQDLYJWMC-UHFFFAOYSA-N 350.418 3.540 0 40 FHAB CCOC(=O)c1nnc(-c2ccccc2)nc1Sc1ccc(OC)cc1 1392073 IMVRLVYYXJNYFB-UHFFFAOYSA-N 367.430 3.875 0 40 FHAB O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1cn2ccccc2n1 56348708 GOYPQPPCWVUCNC-HNNXBMFYSA-N 351.406 3.535 0 40 FHAB O=C1/C(=C\c2cccc(O)c2)c2ccccc2C(=O)N1Cc1ccccn1 12534184 YOAQGCDNWSYAGZ-MOSHPQCFSA-N 356.381 3.510 0 40 FHAB Cc1cccc(NC(=O)COC(=O)c2ccc(Br)cc2)c1C 1993407 KGWVIPQAJUGZTC-UHFFFAOYSA-N 362.223 3.861 0 40 FHAB O=C(N1CCC[C@@H](c2nnc3ccccn23)C1)C1(c2ccccc2)CCC1 27073826 LBEQZDLDFHTAHS-QGZVFWFLSA-N 360.461 3.557 0 40 FHAB COc1ccc(OC)c(C(=O)c2c(C)oc3ccc(OC(C)=O)cc23)c1 2150660 SWIPSRIASNTJQF-UHFFFAOYSA-N 354.358 3.915 0 40 FHAB biogenic Cc1ccc(C2=C(c3ccc(C)cc3)N3CCS(=O)(=O)N=C3S2)cc1 3268349 QNFQLYIHZHEFPQ-UHFFFAOYSA-N 370.499 3.877 0 40 FHAB C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2ccc(F)c(Cl)c2)C1=O 10490416 CXAPGJAEUAHLGY-NSHDSACASA-N 362.788 3.622 0 40 FHAB CCOc1c(Cl)cc(C(=O)NCCN(C)c2ccccc2)cc1OC 12611385 NGEBDYWDTMXJFX-UHFFFAOYSA-N 362.857 3.614 0 40 FHAB CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 12604771 DMQGBVGIRVSDQM-BUYIWHAFSA-N 358.463 3.628 0 40 FHAB FC(F)Sc1ccc(NC(=S)NNc2ccc(Cl)nn2)cc1 3356945 FMBHCHCQONMJDM-UHFFFAOYSA-N 361.830 3.758 0 40 FHAB CCc1nc2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)cc2nc1CC 3344288 GNXMDTIXWCMODA-UHFFFAOYSA-N 362.433 3.965 0 40 FHAB C[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccc(F)c(F)c1 12753822 FMTDDLWTGMEHDV-ZDUSSCGKSA-N 358.388 3.512 0 40 FHAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1ccc[nH]1 48263793 KHZNUAWGNXHOCD-UHFFFAOYSA-N 356.857 3.802 0 40 FHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCc1ccccc1 12977346 GLQIHVSGBOIQKW-UHFFFAOYSA-N 369.852 3.558 0 40 FHAB COC(=O)c1ccc(C(=O)Nc2ccc3[nH]c(-c4ccccn4)nc3c2)cc1 3642740 CSAIQPWVSKKPEW-UHFFFAOYSA-N 372.384 3.664 0 40 FHAB COc1ccc(C(=O)OCC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 6055335 HHFBRQZFJLWVCF-CQSZACIVSA-N 371.458 3.770 0 40 FHAB COc1ccccc1N1C[C@H](C(=O)Nc2cc(Cl)ccc2C)CC1=O 5002149 DOENFEJXWOJEIX-CYBMUJFWSA-N 358.825 3.649 0 40 FHAB CC(C)(C)C1CCC(NC(=O)C(=O)NCCCCc2ccccc2)CC1 408710334 XSQAONMSSNBQRA-UHFFFAOYSA-N 358.526 3.847 0 40 FHAB Cc1cc(Cl)ccc1OCC(=O)NCCn1c(C)nc2ccccc21 8172738 ARVJJVZVNZHALH-UHFFFAOYSA-N 357.841 3.502 0 40 FHAB Cc1nn(Cc2ccccc2)c(Cl)c1CN[C@@H]1c2ccccc2C[C@@H]1O 67718524 FYCPNTZJYPAERQ-VQTJNVASSA-N 367.880 3.641 0 40 FHAB COc1ccc(C)cc1-n1ccc(C(=O)Nc2ccc(F)c(F)c2F)n1 65505383 QKKQZJDMXIDUPI-UHFFFAOYSA-N 361.323 3.859 0 40 FHAB CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)NC1=S 6452013 TXYQAYSHYSKMPV-GHXNOFRVSA-N 353.230 3.941 0 40 FHAB O=C(c1ccccc1)c1ccc(OCC(=O)N2CCc3ccccc32)cc1 6474686 PDNCNLRZCCVNAH-UHFFFAOYSA-N 357.409 3.886 0 40 FHAB CCc1ccccc1NC(=O)CNC(=O)[C@@H](C)Sc1ccc(C)cc1 14159502 ZWUKVUMDKKIIKY-OAHLLOKOSA-N 356.491 3.793 0 40 FHAB O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CCc2ccccc21 14115279 YQQWROVCRSOZQS-UHFFFAOYSA-N 354.413 3.683 0 40 FHAB C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)N1CCCC1 4596929 BCTPXAHMZCPBOI-LBPRGKRZSA-N 360.458 3.522 0 40 FHAB O=C(COC(=O)/C=C/c1ccc(C(F)(F)F)cc1)NCC1CCCCC1 5448048 ZSTBGSGMPXERKN-DHZHZOJOSA-N 369.383 3.958 0 40 FHAB Cc1ccc([C@H]2N=C(Nc3cccc(C)c3C)Nc3nc(C)cc(=O)n32)cc1 4748816 OYCCOJMMSWXHFM-FQEVSTJZSA-N 373.460 3.917 0 40 FHAB CC[S@](=O)c1ccccc1C(=O)OCC(=O)c1c(C)[nH]c2ccccc12 8394102 UQWQUFVHNVAYMI-AREMUKBSSA-N 369.442 3.644 0 40 FHAB COc1ccccc1/C=C1\SC(=O)N(CCOc2ccc(F)cc2)C1=O 15010902 MOXAIHXHQTVHEO-ATVHPVEESA-N 373.405 3.950 0 40 FHAB COC(=O)c1cc(Br)ccc1NC(=O)c1ccc(F)cc1F 6913869 LHSQTHXKRQKMIV-UHFFFAOYSA-N 370.149 3.766 0 40 FHAB O=c1c2sccc2nc(SCc2ccc3c(c2)OCO3)n1C1CC1 67259753 SSOGFVBWIUMDDT-UHFFFAOYSA-N 358.444 3.814 0 40 FHAB CC[C@@H]1CCCCN1Cc1c(C)nc2ccc(N3CCOCC3)cc2c1O 8717451 KSQNIYSVJOVLND-QGZVFWFLSA-N 369.509 3.850 0 40 FHAB Cc1sc(NC(=O)[C@H]2CCCO2)nc1-c1ccc(Br)cc1 28284562 VBJMSKRUCLUZTG-GFCCVEGCSA-N 367.268 3.999 0 40 FHAB O=C(Nc1cccc2ncccc12)[C@@H]1CC(C2=Cc3ccccc3OC2)=NO1 9048621 WGMMWZOJAZEKKH-NRFANRHFSA-N 371.396 3.794 0 40 FHAB COc1ccccc1NC(=O)N(CCCO)[C@H]1CCCc2ccccc21 72306177 SHNZJEPZPISZSO-IBGZPJMESA-N 354.450 3.989 0 40 FHAB NC(=O)c1c(Cl)cccc1NCCc1ccc(OC(F)(F)F)cc1 95464739 BKHDTCNZGJURCN-UHFFFAOYSA-N 358.747 3.992 0 40 FHAB O=S(=O)(Nc1cc(Cl)cc(Cl)c1O)c1cccc(F)c1F 95982806 DOMJWUZVJFAQNZ-UHFFFAOYSA-N 354.161 3.778 0 40 FHAB CNC(=O)[C@H]1CCCN(C(=O)N[C@H](CC(C)C)c2ccc(Cl)cc2)C1 74483871 WWWKUDUTKRVINL-DOTOQJQBSA-N 365.905 3.595 0 40 FHAB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1NC(=O)c1ccccc1 408607733 NYZCIPYCIHZKNK-UHFFFAOYSA-N 372.490 3.858 0 40 FHAB Cc1ccc2c(C(=O)N[C@H](C)C(F)(F)F)cc(-c3cnn(C)c3)nc2c1 20207242 QXHLTHFORWSUKX-LLVKDONJSA-N 362.355 3.624 0 40 FHAB C[C@]12CC[C@H](O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 118933659 UVVGWNHIKZRQLP-PTILYRLISA-N 372.505 3.524 0 40 FHAB Cc1nc2cc(NC(=O)N3CCN(c4ccccc4)CC3)ccc2s1 408977606 JDVUPOMKVWMILL-UHFFFAOYSA-N 352.463 3.959 0 40 FHAB CCOc1ccc(CNC(=O)C(=O)NC2CCC(C(C)(C)CC)CC2)cc1 408707513 NUPUZXTZPWHPOD-UHFFFAOYSA-N 374.525 3.813 0 40 FHAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cccc(C(=O)OC(C)C)c3)C(=O)[C@@H]21 409342466 GJRGSRCGCSMATC-RWQQGDIJSA-N 365.429 3.510 0 40 FHAB O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccc2c(c1)OCCO2 408618138 CFVWXRPXASSBDE-UHFFFAOYSA-N 364.426 3.738 0 40 FHAB CCCN1C(=O)/C(=C\c2ccc(OCC(=O)OCC)cc2)c2ccccc21 409117202 WYEGNZKSCQLFEA-RGEXLXHISA-N 365.429 3.926 0 40 FHAB O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@@H]2Oc1ccc(Cl)cc1 32603960 RYKADMJZFQFXMZ-INIZCTEOSA-N 360.841 3.762 0 40 FHAB COc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1Cl 72227937 REVINFKQSPRNON-CABCVRRESA-N 370.758 3.783 0 40 FHAB O=C(O)[C@H](c1cccnc1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 563282826 UEOQRPLYWFMYBB-CJNGLKHVSA-N 367.232 3.667 0 40 FHAB CCc1ccc2oc(C(=O)Nc3cccc4nsnc34)cc(=O)c2c1 35672782 DVBUODWQVUVQQB-UHFFFAOYSA-N 351.387 3.612 0 40 FHAB CC(C)(C)c1ccc(OC[C@@H](O)CNC2CCN(C3CCCC3)CC2)cc1 566113119 VOCVTIYVSSCNHT-NRFANRHFSA-N 374.569 3.720 0 40 FHAB Cc1nc(Nc2ccccn2)cc([C@@H]2CCCN2C(=O)C2CCCC2)n1 72360311 BXBVUJQPNJMMHG-KRWDZBQOSA-N 351.454 3.777 0 40 FHAB COc1ccc2nc(Cl)c(C3N4CC5(C)CN3CC(C)(C4)C5)cc2c1 79490668 HUBZORZCHTWDPW-UHFFFAOYSA-N 357.885 3.943 0 40 FHAB O=C(NCC(F)(F)F)c1cn(Cc2ccccc2)nc1-c1cccs1 44197125 NSUDGLBNKSYOSS-UHFFFAOYSA-N 365.380 3.952 0 40 FHAB O=C(O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1cccs1 225140153 RCPNKMZMIHOYGQ-UHFFFAOYSA-N 373.455 3.695 0 40 FHAB Cc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1C 222507843 QGEHWAANXNGKKV-UHFFFAOYSA-N 366.870 3.605 0 40 FHAB CCOc1ccc(NC(=O)Cn2ccc(=O)c3cc(Cl)ccc32)cc1 225723405 QGCQDLJECYFMET-UHFFFAOYSA-N 356.809 3.692 0 40 FHAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1F 222675156 KWXPXDIMJGBMQX-MRXNPFEDSA-N 370.468 3.700 0 40 FHAB CCOc1ccc(Cl)cc1S(=O)(=O)N(C)c1cccc(OC)c1 223005298 XEIIJWSEERPCMY-UHFFFAOYSA-N 355.843 3.572 0 40 FHAB O=C(Cc1ccc(-c2ccccc2)cc1)NCC1(O)Cc2ccccc2C1 225715189 SOLBWURKMRLMTG-UHFFFAOYSA-N 357.453 3.542 0 40 FHAB C[C@H](C(=O)NC1CCCCC1)S(=O)(=O)Cc1ccc(C(C)(C)C)cc1 40106038 IRGUYBWIXIWODF-OAHLLOKOSA-N 365.539 3.736 0 40 FHAB CCOc1cccc(CNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 44919763 IYXYOKWPJXPRAG-IBGZPJMESA-N 370.468 3.753 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 224703142 WKAMCBAJWLDZNL-KRWDZBQOSA-N 370.468 3.620 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 223669465 XTAGFRNVRXSVBE-IBGZPJMESA-N 366.505 3.708 0 40 FHAB CCn1ncc(NC(=O)N[C@H]2CCOc3c(F)cccc32)c1C(F)(F)F 569909650 NNHQMDOHDLVWNJ-NSHDSACASA-N 372.322 3.706 0 40 FHAB O=C(c1ccc(Cl)cc1)c1ccccc1CN1CCC2(CC1)OCCO2 85651562 JEJFMPZIGPQHMP-UHFFFAOYSA-N 371.864 3.910 0 40 FHAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccco2)N1c1ccc2c(c1)OCO2 223998974 QPNZKQPNNUZBMB-ZWKOTPCHSA-N 365.414 3.580 0 40 FHAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C)c1 224585555 GRLNQMAUXKODRD-RBUKOAKNSA-N 364.474 3.606 0 40 FHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCOc1ccc(OC)cc1 224471674 GJMLXBXNGMSUSL-IBGZPJMESA-N 357.450 3.665 0 40 FHAB CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2ccc(F)cc2)c1C 224922824 CGRHYXXALFTXDD-UHFFFAOYSA-N 365.426 3.526 0 40 FHAB CCOC(=O)c1cc(NC(=O)[C@](C)(CC(C)C)OC)ccc1OCC 225792805 PUQKVDMLJDVQBH-IBGZPJMESA-N 351.443 3.652 0 40 FHAB COc1cccc(N[C@H]2COC3(CCN(Cc4cccc(C)n4)CC3)C2)c1 96221415 CBWIEYDBVIOAIP-HXUWFJFHSA-N 367.493 3.634 0 40 FHAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C 257255804 KIXQUXNZMGKABA-JXFKEZNVSA-N 370.522 3.602 0 40 FHAB Cn1nccc1C(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257284310 PCDROGHRBSTHMY-MRXNPFEDSA-N 370.840 3.630 0 40 FHAB O=C(CCCOc1cccnc1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2 618103450 TXEXPPGVRNKGJO-ROUUACIJSA-N 366.461 3.842 0 40 FHAB CC(C)c1[nH]ccc1C(=O)N1CCOC[C@H]1c1nc2ccccc2s1 671849048 XWZRCBGRIFZOGX-HNNXBMFYSA-N 355.463 3.962 0 40 FHAB Cc1cc(C(F)(F)F)nc(NCc2ccc(C)nc2N2CCCC2)n1 680376208 MWPPMLXPRNWWRF-UHFFFAOYSA-N 351.376 3.720 0 40 FHAB Cc1nc(CN(C)C(=O)c2c(NC(=O)C3CC3)sc(C)c2C)cs1 62231741 DQDFTSCDLCLESQ-UHFFFAOYSA-N 363.508 3.751 0 40 FHAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)C1(C)C 54262231 KJYWCRLHMSZGBS-HKUYNNGSSA-N 370.493 3.644 0 40 FHAB OCc1ccccc1CNCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 58224451 HMGCGQATXCFPKO-UHFFFAOYSA-N 361.367 3.673 0 40 FHAB COc1ccc(CNC(=S)Nc2ccc(N3CCCCC3)nc2)cc1 11102146 GDGPMPMGYIRQSY-UHFFFAOYSA-N 356.495 3.567 0 40 FHAB Cc1ccc(NC(=O)Cc2n[nH]c(=S)n2Cc2ccccc2)cc1F 12861746 WQTXXGYSLSEOGD-UHFFFAOYSA-N 356.426 3.618 0 40 FHAB CCOc1ccc(N2C[C@H](C(=O)Oc3ccccc3Cl)CC2=O)cc1 14465270 XFCPNIJZVXPFNW-CYBMUJFWSA-N 359.809 3.697 0 40 FHAB C[C@@H]1Sc2ccc(C(=O)Nc3ccc(OC(F)F)cc3)cc2NC1=O 15797682 NASFDNGJZCJPBK-VIFPVBQESA-N 364.373 3.973 0 40 FHAB CC(=O)c1cc(C(=O)N2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cs1 19023118 XZGOUXLEMBNGIW-CQSZACIVSA-N 353.447 3.847 0 40 FHAB O=C(NCC1(c2ccccc2F)CCCC1)c1ccc(Cn2ccnc2)o1 19347951 HSQCVFZDVAZSNI-UHFFFAOYSA-N 367.424 3.905 0 40 FHAB O=c1cc(C2CCN(CCCc3ccccc3)CC2)nc(-c2ccccn2)[nH]1 19371060 UZIMRXSFFBRIOP-UHFFFAOYSA-N 374.488 3.644 0 40 FHAB Fc1ccc(OCCc2cc([C@H]3CCCN3Cc3ccccn3)n[nH]2)cc1 19703686 NAGXTSAIJNBSMA-OAQYLSRUSA-N 366.440 3.902 0 40 FHAB CCOc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)ccc1O 6394861 YMRXVZUQCAHXKV-JKALPCAWSA-N 370.474 3.953 0 40 FHAB Cc1cc(NC(=O)COc2ccc(Cl)cc2)cc2sc(NN)nc12 226313332 IGJWPAHWBQEVPG-UHFFFAOYSA-N 362.842 3.561 0 40 FHAB CC(=O)N1C[C@@H](c2cccc(C)c2)[C@@H]2CN(Cc3cccc(F)c3)CC[C@@H]21 19235219 OLLLWUNRSAVKDC-VABKMULXSA-N 366.480 3.971 0 40 FHAB CCCc1cc(C(=O)Nc2nc(CN3CCOCC3)cs2)sc1C 21128370 NXJVCDOEVPUNIS-UHFFFAOYSA-N 365.524 3.550 0 40 FHAB CCOc1ccc(-n2c(CSc3ncccn3)nnc2SCC)cc1 2706115 NAGLPURNILIJEN-UHFFFAOYSA-N 373.507 3.860 0 40 FHAB CCc1ccc(CC(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1 10813521 AMIRYGAGLNNFOB-UHFFFAOYSA-N 354.431 3.811 0 40 FHAB c1ccc(-c2cc(OCC3CCN(Cc4ccncc4)CC3)ncn2)cc1 1775970392 LEFAHABTLWSMFW-UHFFFAOYSA-N 360.461 3.830 0 40 FHAB CCOCCn1/c(=N/C(=O)C(C)(C)C)sc2cc(OCC)ccc21 100873741 XYMOMAVALPFZRM-ZPHPHTNESA-N 350.484 3.611 0 40 FHAB COc1ccc(NC(=O)CN(C)C(=O)c2c[nH]c3ccccc23)cc1Cl 49027876 SLQDRTOASPATKB-UHFFFAOYSA-N 371.824 3.541 0 40 FHAB Cc1cc(C)nc(O[C@H]2CCCN(C(=O)/C=C/c3ccc(Cl)cc3)C2)n1 585147238 DKRGRASSUKORIS-HKMNZKMDSA-N 371.868 3.830 0 40 FHAB CCN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2ccccc2)CC1 9340613 ONHRAHAACCNQMX-UHFFFAOYSA-N 350.462 3.588 0 40 FHAB COc1c(C)cnc(CNC(=O)Cc2csc(-c3ccc(C)o3)n2)c1C 50448293 LNPTXOFJLZBPAP-UHFFFAOYSA-N 371.462 3.591 0 40 FHAB COc1ccc2c(c1)CCCN2C(=O)CN(C)Cc1ccc(SC)cc1 11223474 NDZJBVSYEHJIAK-UHFFFAOYSA-N 370.518 3.828 0 40 FHAB Cc1cc2nc(SCC(=O)Nc3ccccc3C(=O)O)[nH]c2cc1C 851687 QNSKNMXVQLGIPC-UHFFFAOYSA-N 355.419 3.609 0 40 FHAB CC1CCN(C(=O)C2(NC(=O)Nc3cccc(F)c3)CCCCC2)CC1 1344842 KLPHZKMKGZTXQD-UHFFFAOYSA-N 361.461 3.909 0 40 FHAB Cc1cc(Cl)ccc1NCC(=O)Nc1cccc(C(=O)NC2CC2)c1 11617890 JXPUXZCQGTYAQA-UHFFFAOYSA-N 357.841 3.591 0 40 FHAB COc1c2c(nc3occc13)[C@](CC=C(C)C)(OC)[C@H](OC(C)=O)CC2 4540723 OXMDOZHTPUDSEE-OXQOHEQNSA-N 359.422 3.912 0 40 FHAB biogenic Cc1ccc(Cl)c(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)c1 4966115 AQZOBXVBTRKOII-UHFFFAOYSA-N 358.873 3.910 0 40 FHAB O=C(Nc1ccccc1Br)c1ccc(N2CCOCC2)cc1 7504784 AQHKHYBATXICFX-UHFFFAOYSA-N 361.239 3.538 0 40 FHAB COc1cc(OC)c(N[C@@H](C)C(=O)Nc2nc(C)c(C)s2)cc1Cl 29486941 JAXSWRHKRFBTJZ-VIFPVBQESA-N 369.874 3.870 0 40 FHAB O=C1CCCN1c1ccc(CNC(=O)C2(c3ccccc3)CCCC2)cc1 32426133 QDEUSTOFOLEPFU-UHFFFAOYSA-N 362.473 3.942 0 40 FHAB CCOc1cc(Cl)c(S(=O)(=O)N2CCC(C)CC2)cc1Cl 41096827 WUANJRJNQUXJDK-UHFFFAOYSA-N 352.283 3.813 0 40 FHAB O=C(Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1)c1ccccc1 8470052 IJGUVEUTJOYUML-UHFFFAOYSA-N 360.369 3.889 0 40 FHAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1CCOc1ccc(Cl)cc1 2619954 HJOLRZUKCQEGME-FQEVSTJZSA-N 370.836 3.502 0 40 FHAB COc1cc(C(=O)NC[C@H](c2ccccc2)N(C)C)ccc1OC(C)C 2633047 VXDQRCXOBQHSED-GOSISDBHSA-N 356.466 3.515 0 40 FHAB Cc1ccc(-c2csc(NC(=O)COC(=O)c3cccs3)n2)cc1 2629557 AOUPLXWOVZYMJX-UHFFFAOYSA-N 358.444 3.976 0 40 FHAB O=C(N1CCN(Cc2ccccc2)CC1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102457257 WXDDWWKTCNAQPY-RVEPMOMFSA-N 372.940 3.909 0 40 FHAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NCc1ccc(OC(F)F)cc1 102554679 QWDNXAVMVUHEJB-SNEKZUEESA-N 365.420 3.626 0 40 FHAB O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C(F)(F)F 57316814 VARJSMFIOWPYLN-UHFFFAOYSA-N 363.383 3.510 0 40 FHAB CC[C@@H](C)c1ccccc1NC(=O)Cn1nnc(-c2cccc(OC)c2)n1 8343285 FXGSOZDLRJOLGF-CQSZACIVSA-N 365.437 3.501 0 40 FHAB C[C@H](NC(=O)CCc1nc2ccccc2s1)c1ccc(NC(N)=O)cc1 32926507 YYZAZEUYGWGWEP-LBPRGKRZSA-N 368.462 3.597 0 40 FHAB CCN(CC)C1=NC(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)S1 22195096 SYUNGMUHEZFSSM-MRXNPFEDSA-N 355.463 3.508 0 40 FHAB CCC[C@@H](C)c1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)s1 692016 QKGCHEGUPZLNHF-KGLIPLIRSA-N 372.494 3.742 0 40 FHAB COc1ccc2[nH]c(C(O)(Cc3cccnc3)Cc3cccnc3)cc2c1 633488 TWDFZWIOFZVKEX-UHFFFAOYSA-N 359.429 3.640 0 40 FHAB C[C@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)[C@H]1C[C@H]2CC[C@H]1C2 104095801 RJRLFRZPHMGDFA-BPQOCRPUSA-N 372.484 3.619 0 40 FHAB COc1ccccc1CNC(=O)c1sc(=S)n(-c2ccccc2)c1N 3018626 GOQTYMRNIRSLFQ-UHFFFAOYSA-N 371.487 3.789 0 40 FHAB Cn1c2ccccc2c2nnc(SCC(=O)c3ccc(F)cc3)nc21 917200 AZIGIAQZDSOPKH-UHFFFAOYSA-N 352.394 3.631 0 40 FHAB Cc1c(CN2CCN(c3ccccn3)CC2)noc1-c1ccc(F)cc1 23818997 CIEUNBYIBJZLOO-UHFFFAOYSA-N 352.413 3.506 0 40 FHAB CNC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(SC)cc1 1431405 RDSAPQLJGCNFQL-GOSISDBHSA-N 364.474 3.793 0 40 FHAB COc1ccccc1CCNC(=O)Nc1ccc(NC(=O)C(C)C)cc1 43675081 ANYBHOYTSWLOED-UHFFFAOYSA-N 355.438 3.654 0 40 FHAB COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 20550231 LJDPSRSPBLJKIK-UHFFFAOYSA-N 372.446 3.644 0 40 FHAB COc1ccc(CN(CC(=O)NCC(C)C)[C@@H](C)Cc2cccs2)cc1 24892312 HNTLBVTZGHBHGD-KRWDZBQOSA-N 374.550 3.962 0 40 FHAB Cc1cc(C)c(NC(=O)CNC(=O)C2(c3ccc(F)cc3)CC2)c(C)c1 24938022 RFRSPNBSHSOOTH-UHFFFAOYSA-N 354.425 3.537 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2sccc2C)cc1 26311219 ICOGINNSXXIAIB-HNNXBMFYSA-N 366.552 3.938 0 40 FHAB O=C(NC[C@H]1CCCO1)c1csc(-c2cc(Br)cs2)n1 57987025 ZLQORCOIMCFLDQ-SECBINFHSA-N 373.297 3.543 0 40 FHAB CC(C)S(=O)(=O)[C@H](C)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 58073480 IKXPIULLMCUXGX-CYBMUJFWSA-N 372.446 3.645 0 40 FHAB CN(C)C(=O)c1cccc(CSc2nncn2-c2cccc(Cl)c2)c1 58192859 MMCQBQCBQMAIPX-UHFFFAOYSA-N 372.881 3.915 0 40 FHAB Cc1cc(NC(=O)[C@H](C)[S@](=O)Cc2c(Cl)cccc2Cl)no1 58292298 SRHKNRGFBGYFLU-AUADJRAKSA-N 361.250 3.566 0 40 FHAB O=c1c2ccccc2c(-c2ccccc2)nn1C[C@@H](O)c1ccc(F)cc1 12768581 LAOVKHFPTRTQRD-HXUWFJFHSA-N 360.388 3.936 0 40 FHAB O=C(NCc1ccc(OC(F)F)cc1)c1cccc(Nc2ncccn2)c1 28064025 BLGYZWXXVHXJEE-UHFFFAOYSA-N 370.359 3.752 0 40 FHAB Cc1cc(C(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)nn1C(C)(C)C 36394854 AIRWJNPEPGUXCW-CQSZACIVSA-N 368.481 3.786 0 40 FHAB CCOC(=O)c1sc(NC(=O)c2cccc(C)n2)nc1-c1ccccc1 12944254 JCMIFAZGFLIVPV-UHFFFAOYSA-N 367.430 3.943 0 40 FHAB CCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1 4188437 HQURZWLYWHFSJF-SLDRDFCHSA-N 355.434 3.708 0 40 FHAB COc1ccc(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1OC 13692128 MONBWDXKELLECZ-UHFFFAOYSA-N 354.381 3.523 0 40 FHAB O=C1c2ccccc2C(=O)N1CCSC1=Nc2ccccc2CS1 5324927 XVVBFTCCZVIYOG-UHFFFAOYSA-N 354.456 3.950 0 40 FHAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1cnsn1 65548643 DVXGOGMJLRMZQK-UHFFFAOYSA-N 365.461 3.757 0 40 FHAB O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccc[nH]1 65682671 MPZNNSCEODPDKJ-UHFFFAOYSA-N 352.356 3.512 0 40 FHAB Cc1ccc(N2CCN(CC(=O)Nc3cccc(C)c3C)C[C@@H]2C)cc1 14216279 NKXFFBLWMFVXMQ-SFHVURJKSA-N 351.494 3.761 0 40 FHAB CC(C)c1ccc(NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)cc1 6509105 YYHSGRWHSVTDOV-UHFFFAOYSA-N 371.481 3.783 0 40 FHAB Cc1nn(CC(=O)Nc2ccn(C34CC5CC(CC(C5)C3)C4)n2)cc1Cl 6527442 GQGZXUUNRYOOJK-UHFFFAOYSA-N 373.888 3.605 0 40 FHAB CCn1c(S[C@H](C)C(=O)N(C)c2ccccc2)nnc1-c1ccco1 8620280 MPCCAGHRTKLEGR-CYBMUJFWSA-N 356.451 3.702 0 40 FHAB CSc1ccc(Cl)c(C(=O)OCC(=O)c2ccc3c(c2)OCO3)c1 6609791 AACRJYYFVMMYRB-UHFFFAOYSA-N 364.806 3.830 0 40 FHAB Cc1nc(N2CCCC2)ccc1NC(=O)NC1(C)Cc2ccccc2C1 92092034 OQCNSTUEFPGYBB-UHFFFAOYSA-N 350.466 3.669 0 40 FHAB COc1cc(CNC23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)cc(Cl)c1OC 18166329 AYYXBVRJQWCQQG-BAUKFBFWSA-N 351.874 3.531 0 40 FHAB CCOC(=O)c1sc(NC(=O)c2cc3c(s2)CCCC3)nc1C 6948939 KMOBSTQFZVFKGV-UHFFFAOYSA-N 350.465 3.821 0 40 FHAB Cc1ccc(Cn2c(=O)n(-c3cccc(F)c3)c(=O)c3sccc32)cc1 67258250 AEZQEGDEQWPZMF-UHFFFAOYSA-N 366.417 3.710 0 40 FHAB Cc1ccc(COc2ccc3ccccc3c2CNc2nnn(C)n2)cc1 15356921 NFMWRKOERGZODI-UHFFFAOYSA-N 359.433 3.863 0 40 FHAB CC(=O)c1cccc(OCCOCCN2CCCC[C@H]2c2cccnc2)c1 8764339 KNOKMRKWVSKSJZ-QFIPXVFZSA-N 368.477 3.907 0 40 FHAB biogenic O=C(CSc1nnc(Nc2ccccc2C(F)(F)F)s1)NC1CC1 7309560 WZYYFGSBTKIOHL-UHFFFAOYSA-N 374.413 3.671 0 40 FHAB Cc1cccc(C)c1OCC(=O)NC[C@@H](c1ccco1)N1CCCCC1 15860032 DSSZYNYPKLXKOS-SFHVURJKSA-N 356.466 3.619 0 40 FHAB COCCCNC(=O)CSc1nc2ccccc2n1-c1cccc(C)c1 15978787 USUHWLXGEOQWIZ-UHFFFAOYSA-N 369.490 3.579 0 40 FHAB COc1ccccc1NC(=O)[C@@H](C)N(C)Cc1nc2ccccc2s1 7689877 CBTQEXGDIWFFPC-CYBMUJFWSA-N 355.463 3.764 0 40 FHAB CC(=O)c1ccccc1NC(=O)c1nn(-c2cccc(Cl)c2)nc1C 7734998 DWHBUZXILLSCTK-UHFFFAOYSA-N 354.797 3.684 0 40 FHAB C[C@H](C(=O)NCc1cccs1)N(C)Cc1ccccc1Br 16388661 NKHBARCGZHHUNB-GFCCVEGCSA-N 367.312 3.647 0 40 FHAB c1nc(Nc2ccc3nc(N4CCOCC4)sc3c2)c2ccsc2n1 8162127 TZJOQVCLXJVGAF-UHFFFAOYSA-N 369.475 3.881 0 40 FHAB Cc1nc(-c2cccc(F)c2)sc1C(=O)N[C@H](C(=O)O)c1ccccc1 71334599 XTROYUZWTMEUFL-HNNXBMFYSA-N 370.405 3.813 0 40 FHAB O=C(CSc1nc(-c2ccccc2)n[nH]1)N1CC[C@H]2CCCC[C@@H]2C1 9364413 FGVJIZVWLULNCH-GDBMZVCRSA-N 356.495 3.603 0 40 FHAB COc1ccccc1Cc1nnc(NC(=O)Cc2ccc(C)cc2)s1 9667443 JWPDXGLWRVCGAD-UHFFFAOYSA-N 353.447 3.627 0 40 FHAB Cc1cc(SCCNS(=O)(=O)c2ccccc2)nc2ccccc12 71945076 QKTFIVZUGSODEQ-UHFFFAOYSA-N 358.488 3.614 0 40 FHAB CCc1cc2c(=O)n3c(nc2s1)/C(=C\c1ccc(OC)c(O)c1)CC3 96759297 XYDRRDSOHJIPFE-WQLSENKSSA-N 354.431 3.679 0 40 FHAB Cc1ccn(-c2cc(COC(=O)Cc3c(F)cccc3Cl)ccn2)n1 97012498 TYOCDTMRJQAIHT-UHFFFAOYSA-N 359.788 3.654 0 40 FHAB Cc1cccc(Nc2ccccc2C(=O)NC[C@@H](O)COCC2CC2)c1C 72311681 WFWOGVRRJMNYQC-GOSISDBHSA-N 368.477 3.564 0 40 FHAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(Cc2ccc(Cl)nc2)C1=O 97335994 VEZSRLZPVCMGJW-FQEVSTJZSA-N 365.820 3.855 0 40 FHAB O=C1C2=C(CCCC2)[C@H](N[C@@H]2CCCc3ccccc32)N1C[C@@H]1CCCO1 95483076 PTPLPMIEMQNNNC-MTNREXPMSA-N 366.505 3.872 0 40 FHAB Cc1sc2ncc(C(=O)N3CC[C@@H](C)C[C@@H]3c3ccco3)c(=O)n2c1C 95463102 STGPKULSYWKKOO-IAQYHMDHSA-N 371.462 3.579 0 40 FHAB C[C@@H](NC(=O)Nc1cccn(C)c1=O)c1c(Cl)ccc(F)c1Cl 95962293 NDCMRZWQYXDHSJ-MRVPVSSYSA-N 358.200 3.714 0 40 FHAB Cc1nn(C)c(C)c1CC(=O)Nc1nc2c(ccc3ccccc32)s1 9954895 JXYPIPDCUSNOON-UHFFFAOYSA-N 350.447 3.981 0 40 FHAB CN1CCN(c2ccncc2NC(=O)CCc2ccc3ccccc3c2)CC1 516624249 QVOVUWBRDCOOJU-UHFFFAOYSA-N 374.488 3.558 0 40 FHAB CCn1cc(C(=O)N2CCCC[C@H]2c2nc3cc(C)c(C)cc3[nH]2)cn1 72389459 IUILMADKPIHDGL-SFHVURJKSA-N 351.454 3.764 0 40 FHAB O=C1S/C(=C/c2ccc[nH]2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 215194584 HMTBKFHRQNZJNJ-LHHJGKSTSA-N 362.794 3.633 0 40 FHAB O=C(NCc1nc(-c2ccccc2)no1)C1(c2cccs2)CCCC1 36709785 PYUVNAXLZXVKGA-UHFFFAOYSA-N 353.447 3.926 0 40 FHAB Cc1cccc(CN2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c1 39758815 UROGVHBARYHSIS-UHFFFAOYSA-N 366.461 3.617 0 40 FHAB O=C(O)[C@@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 218474512 OIQJDMWYERKYRS-KKUMJFAQSA-N 371.241 3.634 0 40 FHAB CCCn1nc(-c2nn3c(-c4cc(F)ccc4F)nnc3s2)cc1C 36359897 HITPZMAEHWZGRG-UHFFFAOYSA-N 360.393 3.713 0 40 FHAB Cc1cc(C)cc(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)c1 219553442 LFNFFNPEDNJQLK-MRXNPFEDSA-N 365.433 3.779 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)c2cc3cccc(OC)c3o2)c1 73896414 PBUAOXSUBLLVOL-LBPRGKRZSA-N 355.390 3.950 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(F)cc2)c(OC)c1 39983254 NLIJUNDASPGFHW-AUUYWEPGSA-N 373.424 3.974 0 40 FHAB FC(F)(F)Oc1ccc(-c2nn3c(-c4cccnc4)nnc3s2)cc1 61719935 NFXASQUMWCWHJE-UHFFFAOYSA-N 363.324 3.813 0 40 FHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1 83319622 VAQGLBSTVZCEDD-LFIBNONCSA-N 352.415 3.670 0 40 FHAB O=C(OCCN1CCCC1=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 40160536 SDGFXBWBFVMFRT-UHFFFAOYSA-N 367.323 3.745 0 40 FHAB COc1ccc(C2(C(=O)Nc3ccc(OCC(=O)O)cc3)CCCC2)cc1 225531065 MGBHDNOBHXMXJP-UHFFFAOYSA-N 369.417 3.609 0 40 FHAB Cc1cc(N2C[C@H](C)C[C@@H](C)C2)nc(NC(=S)NCc2ccccc2)n1 225929059 NCRUCDMUELCVBF-HUUCEWRRSA-N 369.538 3.754 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 222995527 HHELDPBHACCQDV-NRFANRHFSA-N 366.505 3.789 0 40 FHAB CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc2c(c1)OCCO2 224833614 QNSMKLWSFQQVLO-UHFFFAOYSA-N 367.854 3.635 0 40 FHAB O=S(=O)(c1ccccc1Br)N1CC[C@@H]1c1ccccc1 45815428 FZOUOSSBBWXEJX-CQSZACIVSA-N 352.253 3.585 0 40 FHAB COc1ccc(C)c(NS(=O)(=O)c2cccc(Br)c2)c1 199769802 XFOTXGYPZCAMEH-UHFFFAOYSA-N 356.241 3.567 0 40 FHAB CCOc1ccc(CC(=O)N2CCC(Oc3ncccc3Cl)CC2)cc1 96024806 XJSPDZVWNBAPDN-UHFFFAOYSA-N 374.868 3.746 0 40 FHAB O=C(c1cscn1)N1CC[C@]2(CCCN2Cc2cccc(Cl)c2)C1 96071073 INRJOWJJGAUNQR-GOSISDBHSA-N 361.898 3.677 0 40 FHAB Cc1ccc(NC(=O)C2CCN(C(=O)Cc3ccccc3)CC2)c(C)c1 243585768 ORBRKAZSQRGHIN-UHFFFAOYSA-N 350.462 3.723 0 40 FHAB C[C@H]1CN(Cc2ccc(Oc3cnccn3)cc2)c2ccccc2NC1=O 585081050 IQJOBVMFEPHNQB-HNNXBMFYSA-N 360.417 3.864 0 40 FHAB Cc1ncc(CN2CCO[C@H](c3cccc(Nc4ccccn4)n3)C2)s1 257310016 UDJIWUFJASJZTB-KRWDZBQOSA-N 367.478 3.559 0 40 FHAB COC(=O)[C@H]1CCc2nnc(-c3sc(-c4ccccc4)nc3C)n2CC1 601044947 UDMKYELPCZMZHT-AWEZNQCLSA-N 368.462 3.503 0 40 FHAB O=C(NC[C@@H]1OCCc2ccccc21)c1occc1COc1ccccc1 603134656 OZKNWIJAQFXAKL-FQEVSTJZSA-N 363.413 3.902 0 40 FHAB Cc1csc(SCC2CCN(S(=O)(=O)c3ccccc3)CC2)n1 90608149 AXDAFDMRYXIJEB-UHFFFAOYSA-N 368.549 3.645 0 40 FHAB Cc1ncc(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)o1 628309450 VTJZVKMAUWCFSJ-FCHUYYIVSA-N 365.452 3.880 0 40 FHAB CCN(CC)CCCN(C(C)=O)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C 5657014 FZPIMZDJRNFOPS-SFHVURJKSA-N 361.530 3.519 0 40 FHAB COc1ccc(CN2Cc3ccccc3OC3(CCOCC3)C2)cc1OC 12122124 CNBSFALCMQGFLN-UHFFFAOYSA-N 369.461 3.648 0 40 FHAB CCC[C@@H](NC(=O)[C@@]1(C)CC(=O)N=C2C=C(C)C=CN21)c1cccs1 12200172 MMDNPXAGESMVBY-AUUYWEPGSA-N 357.479 3.569 0 40 FHAB COC(=O)c1ccc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2c1 12347659 UCWSKBLKLIVWBI-UHFFFAOYSA-N 360.822 3.918 0 40 FHAB Cc1ccc(NC(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c(C)c1 12976898 KMBFVYJLWAPAOE-KRWDZBQOSA-N 363.465 3.516 0 40 FHAB CC[C@H](C(=O)Nc1ccc(C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716087 QDUXXTHMAXDPFP-LJQANCHMSA-N 374.506 3.795 0 40 FHAB CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OCC)n2nc(C)nc2N1 14163408 GAEYEKOHHNJSGK-SFHVURJKSA-N 370.453 3.617 0 40 FHAB O=C(CC1CCCCC1)N1CCC(c2nnc(-c3ccccn3)o2)CC1 19403432 DKHJPGDSRZYCGM-UHFFFAOYSA-N 354.454 3.808 0 40 FHAB Cc1nn(C(C)C)c(C)c1CN1CCN(CC2(c3ccccc3)CC2)CC1 19577476 FKBREBUBGOKIFU-UHFFFAOYSA-N 366.553 3.930 0 40 FHAB COc1cccc(OC)c1[C@@H](O)c1nc(-c2ccncc2)cc2ncccc12 19717991 UVGHYDWJQMAWRT-JOCHJYFZSA-N 373.412 3.791 0 40 FHAB CC(C)Oc1ccc(CN2CC[C@@]3(CCc4ccccc4C(=O)N3)C2)cc1 19450618 ILDFKYYGUSVLOR-QHCPKHFHSA-N 364.489 3.795 0 40 FHAB COc1cccc(Cn2cc(NC(=O)C(C)(C)c3ccc(F)cc3)cn2)c1 19718405 QQYWRZSZZLHXPL-UHFFFAOYSA-N 367.424 3.995 0 40 FHAB Cc1sc2ncnc(OCC(=O)N[C@@H](C)CCc3ccccc3)c2c1C 2663556 BLZZRDXZXOCYBV-ZDUSSCGKSA-N 369.490 3.824 0 40 FHAB CC(C)N(C(=O)COC(=O)c1c2c(nc3ccccc13)CCC2)C(C)C 3587893 YZURFTXIOOFJOM-UHFFFAOYSA-N 354.450 3.526 0 40 FHAB C[C@@H](c1nnc(-c2cccs2)o1)N1CCN(Cc2cccs2)CC1 22803736 UQXFSFVSNLRKOV-ZDUSSCGKSA-N 360.508 3.738 0 40 FHAB CSc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(F)cc1 2706372 VZVKHANHWOQDDP-UHFFFAOYSA-N 361.471 3.827 0 40 FHAB Cc1ccc(-c2cnc(SCCNC(=O)Cc3ccc(F)cc3)[nH]2)cc1 4315454 KLWIWKDJCLQZHY-UHFFFAOYSA-N 369.465 3.975 0 40 FHAB CCOC(=O)c1c(C)nc(O)nc1SCc1ccc(C(F)(F)F)cc1 4317636 CYADXVOTXBRRKC-UHFFFAOYSA-N 372.368 3.978 0 40 FHAB CN(C)C(=O)Cc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 13715379 WELXOAJFSSGMII-UHFFFAOYSA-N 350.340 3.588 0 40 FHAB Cc1ccc(N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 29044879 NSUZCIGHIVTQTG-UHFFFAOYSA-N 372.534 3.803 0 40 FHAB COc1ccc(Br)c(C(=O)NCc2ccc(C3CC3)nc2)c1 585150310 QRVQXQFLSMAWBR-UHFFFAOYSA-N 361.239 3.660 0 40 FHAB CCOc1ccc2ccccc2c1C(=O)NC[C@@](O)(c1ccco1)C1CC1 75154938 WZSVNKQYXVTRQK-QFIPXVFZSA-N 365.429 3.859 0 40 FHAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1ccccc1N(C)c1ccccc1 40152292 ZSXNUNMNSWCLPE-INIZCTEOSA-N 366.465 3.587 0 40 FHAB O=C(NCc1ccnc(Oc2ccccc2)c1)[C@H]1COc2ccccc2C1 40106868 JUFQQOCVJSMXPA-GOSISDBHSA-N 360.413 3.741 0 40 FHAB O=C(Cn1ccc2c(Cl)cccc21)N1CCN(c2ccccc2)CC1 40267637 ODUBADWWJDWLJB-UHFFFAOYSA-N 353.853 3.644 0 40 FHAB CCCCCOC(=O)Cn1c(-c2ccccc2)nc2ccccc2c1=O 1771837 LBPIRCZAJJESMO-UHFFFAOYSA-N 350.418 3.797 0 40 FHAB Clc1ccc2oc(-c3ccccc3)cc(=NCCN3CCOCC3)c2c1 1916717 PMQHJMDUYWFHIF-UHFFFAOYSA-N 368.864 3.986 0 40 FHAB CC(=O)Nc1ccc(F)c(NS(=O)(=O)c2cc(Cl)ccc2C)c1 31668460 LCJDNZGGVUNDNG-UHFFFAOYSA-N 356.806 3.547 0 40 FHAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(Cl)cc(Cl)c1 36751592 OYOJTPKTEUULLL-AWEZNQCLSA-N 352.217 3.905 0 40 FHAB C[C@H](OC(=O)c1ccc(OC(F)F)cc1)C(=O)NCCC1=CCCCC1 3382164 HPSCMAOFYPAHIW-ZDUSSCGKSA-N 367.392 3.840 0 40 FHAB Cc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c(C)c1 7705736 GNVLROGZZOLPHL-UHFFFAOYSA-N 367.417 3.572 0 40 FHAB CCOC(=O)CNc1c(-c2ccc(OC)cc2)nc2ccc(Cl)cn12 4161127 TXBWIYLQVIQBKX-UHFFFAOYSA-N 359.813 3.638 0 40 FHAB CCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1-n1cccc1 4518535 URSOLDOPCFMOFK-UHFFFAOYSA-N 369.494 3.691 0 40 FHAB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCCC2)Nc1cccnc1 6615384 ZNAYXIFWJKPQCH-UHFFFAOYSA-N 368.384 3.500 0 40 FHAB Cc1cccc(-c2noc(CN(C)C(=O)COc3ccc(Cl)cc3)n2)c1 7759243 LAYFYKIKLOHKNM-UHFFFAOYSA-N 371.824 3.736 0 40 FHAB Cc1cnc2c(S(=O)(=O)N3CCc4sccc4[C@H]3C)cccc2c1 29349437 XQQSXBXBUUTZKX-CYBMUJFWSA-N 358.488 3.913 0 40 FHAB Cc1cc(C)n2nc(SCC(=O)c3cc(C)n(C(C)C)c3C)nc2n1 8128002 MPWPLJJCATUZSC-UHFFFAOYSA-N 357.483 3.715 0 40 FHAB O[C@@H](COC[C@@H]1C[C@@H]2CC[C@@H]1C2)CN1CCC(Cc2ccccc2)CC1 101244446 LEDFADQRHWJSEN-BXXSPATCSA-N 357.538 3.755 0 40 FHAB O=C(c1cc2cc(Cl)ccc2o1)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100787351 KEXCLHRVBNGURS-JSGCOSHPSA-N 368.820 3.507 0 40 FHAB Cc1ccccc1N1C(=O)C[C@@H](Nc2ccccc2Br)C1=O 101111291 HERHJPQPOQPKMC-CQSZACIVSA-N 359.223 3.502 0 40 FHAB O=C(c1cn[nH]c1-c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 21540804 ZRASGQXGJIQGMP-UHFFFAOYSA-N 366.852 3.693 0 40 FHAB COc1ccc([C@@H]2CCCCCN2C(=O)c2csc(NC(C)=O)n2)cc1 32821643 ZOUKDCRYVZWPNP-KRWDZBQOSA-N 373.478 3.868 0 40 FHAB COc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1N1CCCCC1=O 32924845 WPQYKVYVQUNPMR-UHFFFAOYSA-N 360.360 3.743 0 40 FHAB CSc1ccc(NC(=O)COc2cccc(N3CCCC3=O)c2)cc1 12039820 UNJZFIJAUCEUIF-UHFFFAOYSA-N 356.447 3.553 0 40 FHAB Cc1ccc(C(=O)Nc2cccc(-c3nncn3C)c2)cc1-n1cccc1 33132358 UMJWMIUJIYUGON-UHFFFAOYSA-N 357.417 3.834 0 40 FHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1cccc2ccccc12 7810719 CKDXHRFKIPQHDC-UHFFFAOYSA-N 371.440 3.668 0 40 FHAB Cc1ccc(N2C(=O)c3ccccc3[C@H]2C(=O)c2ccc(O)cc2O)cc1 636518 OLBVRGMZDWMYIE-FQEVSTJZSA-N 359.381 3.991 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3csc(C)n3)cn2C)cc1 16201675 ZPRQTOIMNVLWHZ-UHFFFAOYSA-N 354.435 3.668 0 40 FHAB O=C(Nc1ccncc1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 47430542 YJDKXPVJCYOKHO-HNNXBMFYSA-N 364.232 3.632 0 40 FHAB Cc1cc(C)n(CCCNC(=O)N(C)[C@H](C)c2cc(F)ccc2F)n1 119967464 METICIVEZZULNS-CQSZACIVSA-N 350.413 3.571 0 40 FHAB CCOC1=C(Cl)NC(=O)O[C@]1(OCC)c1cc(Cl)nc(Cl)c1 934411 OFLMQFLGLZVKCB-CYBMUJFWSA-N 367.616 3.762 0 40 FHAB CC(C)NC(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 917897 VNWOFAZMIOSIME-UHFFFAOYSA-N 359.373 3.762 0 40 FHAB COC(=O)C1=C[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 100389805 FRSUFKJZLFSCBD-YUMQZZPRSA-N 356.847 3.931 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1 12559011 YRJCDZTYGQQZHK-SFHVURJKSA-N 373.378 3.887 0 40 FHAB CCCn1c(=O)c2ccccc2n2c(=S)n(CN(CC)CC(C)C)nc12 54514126 HQCMGJVLKBTUAL-UHFFFAOYSA-N 373.526 3.526 0 40 FHAB Cc1ccccc1CN1CCC(NC(=O)NCc2ccc(F)cc2)CC1 43025909 PEFWFCDFFFVJIH-UHFFFAOYSA-N 355.457 3.598 0 40 FHAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)C1(C)C 24714390 MSVQPEVWVSTSNW-QUCCMNQESA-N 355.526 3.924 0 40 FHAB CCOC(=O)CCCCCCC(=O)c1cccc(CN2CCN(C)CC2)c1 43211359 NIDWATZAIRDBNH-UHFFFAOYSA-N 374.525 3.520 0 40 FHAB COC(=O)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1 100971734 XYEPZFXWJXPTAL-UXXRCYHCSA-N 373.499 3.875 0 40 FHAB COCCN1C(=O)c2ccccc2N[C@H]1c1ccc(C(F)(F)F)cc1 25067222 SXHVUKMBIPJMNE-MRXNPFEDSA-N 350.340 3.918 0 40 FHAB COC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2cccs2)n1 1415780 MUTXPVCSHORPTR-UHFFFAOYSA-N 359.354 3.863 0 40 FHAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2)C1 20050031 HCUWIBKDYSTKNT-OAHLLOKOSA-N 352.434 3.869 0 40 FHAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccc(-c2ccccc2)cc1 28234670 DTWRXTSIGXNWOJ-UHFFFAOYSA-N 355.401 3.511 0 40 FHAB CN(C)[C@@H](CNC(=O)c1csc(-c2cccs2)n1)c1ccsc1 25331107 BCPNXNYLJLHVMH-ZDUSSCGKSA-N 363.533 3.966 0 40 FHAB COc1cc(C)ccc1CN1CCC[C@H]2NC[C@H](c3ccc(F)cc3)[C@H]21 22887853 HDBRZPDDTYYNEQ-KCZVDYSFSA-N 354.469 3.863 0 40 FHAB CC[C@H](NC(=O)CCCNC(=O)c1cccs1)c1ccc(OC)cc1 57623785 ICYRJXXKAXCPHC-INIZCTEOSA-N 360.479 3.534 0 40 FHAB CC(C)n1ncc2c(C(=O)Nc3ccn(C)n3)cc(-c3ccccc3)nc21 10135477 IYSJFGCZDPMBFI-UHFFFAOYSA-N 360.421 3.665 0 40 FHAB Cc1ccccc1NC(=O)N1CCN(C(=O)Nc2ccccc2C)CC1 2381285 DJMRNOQXUPSDLZ-UHFFFAOYSA-N 352.438 3.685 0 40 FHAB Cc1nc2cc(Cl)ccc2cc1C(=O)NCc1ccc(N(C)C)nc1 48289336 BJOUKIDXBMYLPS-UHFFFAOYSA-N 354.841 3.588 0 40 FHAB Cc1cnc(NC(=O)C2CCC(C(=O)Nc3ncc(C)s3)CC2)s1 3411440 GFFUKWZLLZXLND-UHFFFAOYSA-N 364.496 3.600 0 40 FHAB Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2CCC3)cc1F 3422684 XDEVPQBYWVQQSV-IBGZPJMESA-N 350.372 3.972 0 40 FHAB CCOc1ccccc1N1C[C@H](C(=O)Nc2cccc(CC)c2)CC1=O 3473043 HFVNKSDUAIVDFN-MRXNPFEDSA-N 352.434 3.639 0 40 FHAB C[C@H](NC(=O)COC(=O)c1cc(F)c(F)cc1Cl)c1ccccc1 3445802 NMQGQAQXTCCNBZ-JTQLQIEISA-N 353.752 3.652 0 40 FHAB CC(=O)c1ccc(NC(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1 12904536 AMBUNKOMPNVNFX-HXUWFJFHSA-N 352.434 3.867 0 40 FHAB C[C@@H](OCCCNC(=O)c1cncc(Br)c1)c1ccccc1 13011195 NMVKATMYQJICNX-CYBMUJFWSA-N 363.255 3.742 0 40 FHAB Cc1cc(C)cc(C2(C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)CCC2)c1 64407388 HUTKJETZESKJBA-UHFFFAOYSA-N 363.461 3.554 0 40 FHAB Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl 5194346 FPIUNVMOPWQERR-VIFPVBQESA-N 357.193 3.782 0 40 FHAB COc1cccc(NC(=O)COC(=O)CC23CC4CC(CC(C4)C2)C3)c1 6297837 ZIEYQYZBJKDCIN-UHFFFAOYSA-N 357.450 3.783 0 40 FHAB CC(=O)Nc1ccc(N[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1 8706870 BUNREPXWWFANRI-IBGZPJMESA-N 364.405 3.733 0 40 FHAB CSc1ncccc1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1 14398654 TULIARRBQQHUJJ-MRXNPFEDSA-N 358.463 3.616 0 40 FHAB CC(=O)Nc1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1 6623226 XPQJMIDCDSSYOI-UHFFFAOYSA-N 359.234 3.753 0 40 FHAB O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCN(C2CCCCC2)CC1 15679402 MVDSMBSSSRMOBK-UHFFFAOYSA-N 372.900 3.821 0 40 FHAB Cc1ccc([C@H](CNC(=O)COc2cccc(C)c2C)N2CCCCC2)o1 15860198 YUTOQRQBEVUUOZ-IBGZPJMESA-N 370.493 3.927 0 40 FHAB COc1cccc(CNC(=O)CSCc2nc3ccccc3s2)c1 9384778 OHZQUCLWGFZEGC-UHFFFAOYSA-N 358.488 3.855 0 40 FHAB Cc1cccc(OCCNC(=O)c2ccc(NC(=O)c3ccco3)s2)c1 23693437 GNMCZKXHJAMERN-UHFFFAOYSA-N 370.430 3.711 0 40 FHAB Cc1cccn2cc(COC(=O)c3ccc(N4CCCCCC4)nc3)nc12 84247930 DPXCKIJAYLBWIF-UHFFFAOYSA-N 364.449 3.775 0 40 FHAB C[C@H](C(=O)NCc1cccs1)[S@@](=O)Cc1cccc2ccccc12 75495964 AHHPWPDNADQRJZ-JBEBIEQOSA-N 357.500 3.855 0 40 FHAB Cc1c(C(=O)Nc2nc(-c3ccccn3)cs2)cnn1-c1ccccc1 72405862 VEPGYQRVBBHLPV-UHFFFAOYSA-N 361.430 3.952 0 40 FHAB COCc1ccc(C(=O)NCc2ccc(CN3CCCC[C@H]3C)cc2)o1 97327224 ZLJRAWSHGKUJHO-MRXNPFEDSA-N 356.466 3.730 0 40 FHAB COC(=O)c1cc(CNc2cc(CC3CC3)nn2-c2ccccc2)c[nH]1 95455316 XXVCACZDZGGIAI-UHFFFAOYSA-N 350.422 3.552 0 40 FHAB COc1ccc2oc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2c1 409186748 HJTXRBVCWJLDKQ-UHFFFAOYSA-N 352.390 3.530 0 40 FHAB O=C(Cn1cccc1-c1nc(-c2ccccc2)no1)Nc1cccc(F)c1 98211282 RBTOWFHEOPFBFB-UHFFFAOYSA-N 362.364 3.983 0 40 FHAB Cc1ccc([C@H]2CCCN2C(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 73983013 KLFJJVCXKZPWBP-LJQANCHMSA-N 361.445 3.528 0 40 FHAB COc1ccccc1C(=O)/N=c1\sc2c(n1C)-c1ccccc1CC2 409205645 RTOZGPPXHZGLPJ-MRCUWXFGSA-N 350.443 3.602 0 40 FHAB Cc1cccc(-c2noc(CNC(=O)c3ccccc3OC(C)C)n2)c1 219746084 JSNURIIGPMABQJ-UHFFFAOYSA-N 351.406 3.762 0 40 FHAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCCN2C2CCOCC2)n1 72360368 ZHLBXUFIICMHJX-MRXNPFEDSA-N 359.499 3.609 0 40 FHAB CN(C)c1ccc(-n2cccc2/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1 32109726 AFNOKMGZJNRYQY-HMMYKYKNSA-N 372.428 3.641 0 40 FHAB COC(=O)c1cn(C(=O)[C@H](C)Oc2cccc(OC)c2)c2ccccc12 222619638 WEQBNOJBEAORQP-ZDUSSCGKSA-N 353.374 3.544 0 40 FHAB Cc1ccc(CCC(=O)NCCCN2CCc3ccccc3C2)cc1C 223142033 XKCYCQYPVSJTKJ-UHFFFAOYSA-N 350.506 3.801 0 40 FHAB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(F)cc2)c(C)c1 224923957 YIIJJQCJNDNJRE-UHFFFAOYSA-N 365.426 3.526 0 40 FHAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c(C)c1 223254772 PHJUAOZYBHLIRU-HNNXBMFYSA-N 359.491 3.840 0 40 FHAB Cc1cc(-c2cc(C)c3nc(NN)sc3c2)cc2sc(NN)nc12 226323449 QYVGGOVAGQJUDT-UHFFFAOYSA-N 356.480 3.761 0 40 FHAB CNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 223416430 RSVALBKXZUKXCC-GOSISDBHSA-N 358.869 3.812 0 40 FHAB CC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)C3CCC3)CC2)c2ccccc21 96241960 SCHQRUVDMYFGSY-SFHVURJKSA-N 368.521 3.749 0 40 FHAB CC(C)(C)c1ccc(OC[C@@H](O)CNC2CCN(C(C)(C)C)CC2)cc1 575981494 ONKSVXNIEMTBGS-IBGZPJMESA-N 362.558 3.576 0 40 FHAB Cc1ccc(F)c(NS(=O)(=O)c2ccc(Br)c(F)c2)c1 95067887 YWKRWBMAWNAOEH-UHFFFAOYSA-N 362.195 3.837 0 40 FHAB CCOc1ccc([C@@H](N)c2n[nH]c(-c3cccc(Cl)c3)n2)cc1OC 95534231 PBXLIBICRJVABI-MRXNPFEDSA-N 358.829 3.581 0 40 FHAB c1ccc(CN2CCC(c3nc4ccc(-c5cccnc5)cn4n3)CC2)nc1 96267274 LNPHDILYKQCBIS-UHFFFAOYSA-N 370.460 3.566 0 40 FHAB CC1(C)OC(=O)C[C@H]1C(=O)Nc1cccc2c1ccn2Cc1ccccc1 96116667 UFRBOXZAKOBHRA-KRWDZBQOSA-N 362.429 3.970 0 40 FHAB C[C@H](O)c1onc(-c2cccs2)c1C(=O)N1CCc2ccccc2C1 253401971 NUTYLCAPLFZIGQ-LBPRGKRZSA-N 354.431 3.655 0 40 FHAB biogenic,in-vitro Cc1nc(-c2ccco2)sc1CNS(=O)(=O)c1ccccc1Cl 90593509 TVOUNDVCYADGFV-UHFFFAOYSA-N 368.867 3.843 0 40 FHAB Cc1c(-c2ccccc2)oc2c(C(=O)N[C@@H](CO)C(C)C)cccc2c1=O 606440476 WNEDXHOJNKSNAA-SFHVURJKSA-N 365.429 3.515 0 40 FHAB biogenic O=C(CSc1ccc(F)cc1)NC[C@H](O)c1ccc(-c2ccco2)o1 1775965694 KIWWDTLAOCNWDD-AWEZNQCLSA-N 361.394 3.621 0 40 FHAB c1coc(-c2noc(CCc3nnc(-c4cccc5ncccc45)o3)n2)c1 1324099186 XVHCJZUHTKYFHG-UHFFFAOYSA-N 359.345 3.713 0 40 FHAB CO[C@H]1CCCN(Cc2ccc(C(=O)O)cc2)[C@H]1Cc1ccccc1F 585275567 DBGVASDRWZUMBM-PMACEKPBSA-N 357.425 3.746 0 40 FHAB CC(=O)N1CCN(Cc2cccc(-c3ccccc3-c3ncco3)c2)CC1 685942094 CNXQWIYTAOWJNT-UHFFFAOYSA-N 361.445 3.673 0 40 FHAB O=C(NCCCN1CCCCCC1)c1ccc(F)cc1Br 53271517 PRHODHAVGNZAIN-UHFFFAOYSA-N 357.267 3.584 0 40 FHAB O=C(COc1ccc2ccc(=O)oc2c1)c1cccc(Br)c1 5222588 USPFYFYFUDMUPI-UHFFFAOYSA-N 359.175 3.817 0 40 FHAB O=C(CSC(=S)N1CCCCC1)c1cc(Br)ccc1O 5567678 POJMFIZYTFPPND-UHFFFAOYSA-N 374.325 3.841 0 40 FHAB CCCn1c(C)cc(C(=O)CSc2nnc(-c3ccco3)n2C)c1C 5864099 ZPJSJRQRKFCRDT-UHFFFAOYSA-N 358.467 3.878 0 40 FHAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(-c2ccccc2)cc1 17169283 KDYGYMVWNIMWAG-PMACEKPBSA-N 374.440 3.633 0 40 FHAB O=C(NC1CCCCC1)c1cc([C@H]2CCCN(Cc3cccnc3)C2)no1 19339085 ZOXCYARNKYOZTC-KRWDZBQOSA-N 368.481 3.512 0 40 FHAB COc1ccc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc1Cl 3659310 SJPSSQQEKWPWPH-DHDCSXOGSA-N 360.772 3.581 0 40 FHAB COc1ccc(NC(=S)NC(=O)c2cc(Cl)cnc2Cl)cc1 2564912 YFBIUMIFEASXAL-UHFFFAOYSA-N 356.234 3.524 0 40 FHAB O=C(CCc1cnn(-c2ccccc2)c1)N1CCc2[nH]c3ccccc3c2C1 9955704 CWVDECAIZNUUIC-UHFFFAOYSA-N 370.456 3.871 0 40 FHAB FC(F)(F)c1ccnc(N2CCC(COc3ccncc3Cl)CC2)n1 1889103118 RZFJBBAVGJBHIR-UHFFFAOYSA-N 372.778 3.839 0 40 FHAB Cc1cccc(NC(=O)N2CCC(N(C)c3ncc(Cl)cn3)CC2)c1 1889149493 FOKXNFDKXCFYFJ-UHFFFAOYSA-N 359.861 3.571 0 40 FHAB Cc1cc(OCC2CCN(C(=O)Cc3ccccc3Cl)CC2)ccn1 1775994984 ABSBHERDXCUFRG-UHFFFAOYSA-N 358.869 3.904 0 40 FHAB Cc1ccc(C)c(CSC2=NCCN2S(=O)(=O)c2ccccc2)c1 2711619 QXIMZXZYLOMTSO-UHFFFAOYSA-N 360.504 3.597 0 40 FHAB Cc1ccc(N2C[C@@](O)(c3ccc(OC(F)F)cc3)[N+]3=C2CCCC3)cc1 2966202 MKNPLIZXPBRWES-OAQYLSRUSA-N 373.423 3.857 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)N1CCN=C1SCc1cccc(F)c1 4119898 CFDSEHNHXWHULH-CQSZACIVSA-N 358.438 3.725 0 40 FHAB Cc1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1F 5201327 GFFMJAMXLWXGSC-AWEZNQCLSA-N 361.804 3.715 0 40 FHAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCc1ccccc1 11694398 GCQCKUOGTXKPJJ-UHFFFAOYSA-N 367.424 3.773 0 40 FHAB Cc1ccc(C(=O)NC[C@H](c2cccc3ccccc23)N2CCOCC2)cc1 23106493 TZVBKXFPQSRRET-HSZRJFAPSA-N 374.484 3.952 0 40 FHAB O=C(NC[C@](O)(c1cccs1)C1CC1)c1csc(-c2ccccc2)n1 206699936 HOFPOJYQGUZDPV-LJQANCHMSA-N 370.499 3.899 0 40 FHAB CCN(CC)C(=O)c1ccc(NC(=O)/C=C/c2cccnc2)cc1Cl 40090603 GAHKRBOVGPGRAN-JXMROGBWSA-N 357.841 3.869 0 40 FHAB CC(=O)Nc1ccc(NC(=O)COc2cccc3c2OC(C)(C)C3)cc1C 40052639 BZQOBEMUYQGRJI-UHFFFAOYSA-N 368.433 3.684 0 40 FHAB O=C(NCc1cccnc1OCC(F)(F)F)c1cc(Cl)ccc1F 40074511 VVKNGRURALBCJK-UHFFFAOYSA-N 362.710 3.745 0 40 FHAB CCOc1ccccc1CCC(=O)N1CCN(C)C[C@@H]1c1ccccc1 40007805 YVUBLFQXRPHWQR-HXUWFJFHSA-N 352.478 3.533 0 40 FHAB CCCCn1nc(C(=O)Nc2ccc(SC(F)F)cc2)ccc1=O 40159814 IFIAFNNRAMKLDP-UHFFFAOYSA-N 353.394 3.610 0 40 FHAB CCc1nc(NC(=O)[C@@H](NC(=O)c2ccccc2C)C(C)C)sc1C 40118937 ZDNDKLXQLLIIDH-INIZCTEOSA-N 359.495 3.715 0 40 FHAB CC(=O)N[C@H]1C(=O)N(CCOc2ccc(C(C)(C)C)cc2)c2ccccc21 100485392 HFRCTRJKMAITGU-HXUWFJFHSA-N 366.461 3.587 0 40 FHAB CC(=O)n1nc(-c2cccc(C)c2)nc1SCC(=O)Nc1ccccc1 853600 PKEZULVXAZGPAW-UHFFFAOYSA-N 366.446 3.644 0 40 FHAB aggregator Cc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c(C)c1 2184753 YTWYPMBAJSYMJO-UHFFFAOYSA-N 352.415 3.823 0 40 FHAB Cc1nc(SCCCn2c(=O)[nH]c3ccccc32)nc2ccccc12 2393595 UIMMDSBKZUIKFM-UHFFFAOYSA-N 350.447 3.764 0 40 FHAB Cc1ccnn1[C@H](C)c1nnc(Nc2ccn(Cc3ccccc3)n2)s1 2730111 SZUJLLZVSLCWCN-CQSZACIVSA-N 365.466 3.641 0 40 FHAB COc1ccc([C@H](CC(=O)Nc2nc3ccccc3s2)NC(C)=O)cc1 11327728 PWTQEYRHJWXGLT-INIZCTEOSA-N 369.446 3.511 0 40 FHAB Cc1cccc(C(=O)NCCC(=O)Nc2ccc(C(F)(F)F)cc2)c1 3332462 RMQDFHMUSZOIGG-UHFFFAOYSA-N 350.340 3.772 0 40 FHAB CC(C)(C)c1ccc2c(c1)OCC(=O)N2CC(=O)Nc1cc(F)cc(F)c1 51316231 WOWVNPLVCKIFSC-UHFFFAOYSA-N 374.387 3.626 0 40 FHAB COc1cc(C(=O)O)cc(Br)c1OCc1cccc(F)c1 7603971 ZYTIZGOSRMBFPX-UHFFFAOYSA-N 355.159 3.874 0 40 FHAB Cc1ccc(-n2c(C)c(C)c3c(=N)n(CCCn4ccnc4)cnc32)cc1 101414480 OIBUTTJBEDJKCK-UHFFFAOYSA-N 360.465 3.519 0 40 FHAB CCCn1c(SCC(=O)c2ccccc2F)nc2ccccc2c1=O 7987965 SSINMWIAPASMFV-UHFFFAOYSA-N 356.422 3.921 0 40 FHAB O=C(CCc1cccc(Cl)c1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1 32481180 UBXQZFJIPVDTEM-UHFFFAOYSA-N 350.205 3.734 0 40 FHAB O=C(NCCc1ccccn1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 32657080 QTVYMGUDNRXDLF-NRFANRHFSA-N 372.424 3.508 0 40 FHAB CCc1ccccc1NC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 8050269 DWHABIITXCKCIY-UHFFFAOYSA-N 374.506 3.742 0 40 FHAB O=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1 8470161 ACOSFGSMXOKGGA-UHFFFAOYSA-N 374.396 3.818 0 40 FHAB Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 8550193 PAAUDDJCIVBQAW-INIZCTEOSA-N 374.506 3.912 0 40 FHAB Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2cccs2)c1C 21336991 CZJICBLSLRUOSH-MRXNPFEDSA-N 372.490 3.625 0 40 FHAB COC(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@H](Cc2ccc(C)cc2)C1 60268520 MDYFKKPBYSSYBL-RTBURBONSA-N 360.498 3.547 0 40 FHAB C[C@@H](Sc1nnnn1Cc1cccs1)C(=O)c1c[nH]c2ccccc12 8391645 AMUWWJBQIBWOKW-LLVKDONJSA-N 369.475 3.628 0 40 FHAB Cn1c(=O)n(CC(=O)Nc2ccccc2-c2cccs2)c2ccccc21 21899339 FEMQJOVNAIWRRF-UHFFFAOYSA-N 363.442 3.707 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1noc(-c2ccc(C)cc2)n1 21800568 AAWZWEJFUZQWNX-INIZCTEOSA-N 355.369 3.980 0 40 FHAB COc1ccc(OC[C@H]2[C@H]3CC[C@@H](C3)N2C(=O)c2sc(C)nc2C)cc1 100113474 GLSHSTPPYBNSSP-MPGHIAIKSA-N 372.490 3.841 0 40 FHAB Cc1ccc2nc(CN3CCC[C@@H]3c3ccccc3Cl)cc(=O)n2c1 53272843 LPWSPEIMXCYFOW-GOSISDBHSA-N 353.853 3.993 0 40 FHAB O=C(NCc1ccccn1)c1ccc(Br)cc1Br 682594 MUQOGUIWXQEWPD-UHFFFAOYSA-N 370.044 3.537 0 40 FHAB COc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(C)c(C)c2)cc1 629231 VPUYAXHWMXWNCP-SFHVURJKSA-N 363.504 3.748 0 40 FHAB Cc1cc(C)c(NC(=O)c2nnn(-c3ccccc3Cl)c2C)c(C)n1 103363792 ZZGYLADJUHWDSD-UHFFFAOYSA-N 355.829 3.802 0 40 FHAB C[C@H](NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1C[C@H]2CC[C@H]1C2 103469078 LNOCKXMAXPWDEM-SEKKQMDUSA-N 372.553 3.650 0 40 FHAB Cc1nn(C)c2ncc(NC(=O)c3cc(F)c(Cl)cc3Cl)cc12 22472974 KUKZJTIOHSYJJU-UHFFFAOYSA-N 353.184 3.975 0 40 FHAB O=C(Cc1ccc2c(c1)OCCCO2)Nc1nc(-c2ccccc2)ns1 101513982 RZFXVZDACVZGMZ-UHFFFAOYSA-N 367.430 3.548 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(N2C(=O)CCC2=O)c1 24018335 JKVRGDPOMYGTNI-UHFFFAOYSA-N 363.200 3.899 0 40 FHAB C[C@@H]1[C@@H](NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)CCC[C@H]1C 105670095 WUWCTCQCGHHQDQ-LQWHRVPQSA-N 370.537 3.799 0 40 FHAB COc1ccc(Cn2c(S[C@H](C)C(C)=O)nc3ccccc3c2=O)cc1 24458205 FFHYZQFHFFJTIG-CQSZACIVSA-N 368.458 3.523 0 40 FHAB Cc1ccc(-c2noc(CCCSc3nnc4ccccn34)n2)cc1F 24969567 YKAYCYIXRPHRPY-UHFFFAOYSA-N 369.425 3.952 0 40 FHAB COCCNC(=O)c1ccccc1NC(=O)c1cc2ccccc2s1 25048710 CVXZNZFKLMNEFH-UHFFFAOYSA-N 354.431 3.530 0 40 FHAB Cc1cc2c(cc1C)C(=O)C[C@@H](c1cc(C(=O)O)cc3c1OCOC3)O2 1504468 HJDXVADNJHAYEA-SFHVURJKSA-N 354.358 3.575 0 40 FHAB biogenic Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N(C)C1CCC(C)CC1 25628626 ASCPZTINVMFCGN-UHFFFAOYSA-N 356.514 3.863 0 40 FHAB Cc1ccsc1CNC(=O)c1cccc(I)c1 25997647 DXGCCOJNWIAMAN-UHFFFAOYSA-N 357.216 3.591 0 40 FHAB O=C(NCc1ccccc1N1CCCC1)N1CCC[C@H]1c1ccccn1 56954358 BXTPTFLTWXJULN-FQEVSTJZSA-N 350.466 3.729 0 40 FHAB O=C1CCCN1c1cccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)c1 25538038 QMGYRUVMMOPHRB-IBGZPJMESA-N 352.409 3.930 0 40 FHAB Clc1ccc(-n2nnnc2C2(NCc3ccccc3)CCCC2)cc1 35622726 GVXUEMCFDDLVNA-UHFFFAOYSA-N 353.857 3.875 0 40 FHAB CCOc1ccc(NCCc2n[nH]c(-c3cccc(N)c3)n2)cc1OCC 64873703 GFHCILVLKVZQEI-UHFFFAOYSA-N 367.453 3.506 0 40 FHAB CCCCc1c(C)nc(Nc2nc(C)c3cccc(OCC)c3n2)[nH]c1=O 20673171 FPBKUDAVTWUMSY-UHFFFAOYSA-N 367.453 3.815 0 40 FHAB O=C(Nc1cc(-c2cc(Br)ccc2Cl)n[nH]1)[C@H]1CCCO1 58247615 PFWHTXJEWHARRU-GFCCVEGCSA-N 370.634 3.610 0 40 FHAB COc1ccc2cc(CNc3ccc4c(c3)C(=O)NC4)c(Cl)nc2c1 58470405 GIYKVCWKWSTCMI-UHFFFAOYSA-N 353.809 3.752 0 40 FHAB Fc1cc2c(c(CN3CCN(c4ccccc4Cl)CC3)c1)OCOC2 12609962 RLCRIXLGTHGNEC-UHFFFAOYSA-N 362.832 3.668 0 40 FHAB CC[C@H](C)NC(=O)C(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C 12768482 XUFDVDMLBCBUQX-JTQLQIEISA-N 367.371 3.605 0 40 FHAB Cc1nc2ccc(C(=O)Nc3ccccc3N3CCCC3=O)cc2nc1C 13003099 BGVSKFLHJJFKGH-UHFFFAOYSA-N 360.417 3.626 0 40 FHAB O=C(O)c1cc2ccccc2cc1NS(=O)(=O)c1cc(F)ccc1F 13087543 OTITXRGLEGREHP-UHFFFAOYSA-N 363.341 3.617 0 40 FHAB CC[C@H](C)OC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 5151084 QAEBZOVFPWMIDC-LBPRGKRZSA-N 364.405 3.763 0 40 FHAB O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1ccccc1F 6376411 CKQZWYBTBVFNKG-UHFFFAOYSA-N 354.381 3.812 0 40 FHAB Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(Cl)c3)n2)cc1 5396776 MWTWXQIRCGWIED-UHFFFAOYSA-N 353.809 3.511 0 40 FHAB Cc1ccccc1/C=C/c1nc(SCC(=O)N[C@@H](C)c2ccco2)n[nH]1 14139107 FLAFJYREOSZBDI-HBWSCVEGSA-N 368.462 3.846 0 40 FHAB CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nnc1-c1ccco1 4516194 ITAJOTVZUKIUPV-UHFFFAOYSA-N 373.434 3.550 0 40 FHAB CN(C)c1cccc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)c1 5403164 HIRVWHAFIGYPOX-UHFFFAOYSA-N 366.339 3.567 0 40 FHAB COc1cccc(C(=O)OCC(=O)N2CC[C@@H](C)Sc3ccccc32)c1 5470395 FPSRQECMIYQZIC-CQSZACIVSA-N 371.458 3.770 0 40 FHAB O=C(CCc1ncc(-c2ccccc2)o1)Oc1ccc(-c2nnco2)cc1 14775640 JQKIBAZDHLEDHD-UHFFFAOYSA-N 361.357 3.930 0 40 FHAB COc1cc(CNC(=O)c2cc(C)no2)ccc1OCc1ccccc1 18161104 FLTGUSGDNAOVRP-UHFFFAOYSA-N 352.390 3.501 0 40 FHAB CCN(CC)[C@H](CNC(=O)/C=C/c1cccc(OC)c1)c1ccccc1 14903564 BBZHDGLPULHQLI-IBUXMESJSA-N 352.478 3.908 0 40 FHAB Cn1c(C(F)(F)F)nn(CN2CCC(Cc3ccccc3)CC2)c1=S 6997867 KEEUDUFTUUDGRI-UHFFFAOYSA-N 370.444 3.882 0 40 FHAB COc1ccc(Br)cc1CN(C)C(=O)c1cc(C)ccc1O 6993544 KWKCASJYOWRXDY-UHFFFAOYSA-N 364.239 3.744 0 40 FHAB CCc1ccc(Nc2nn[nH]c2C(=O)NCc2cccc(Cl)c2)cc1 67283530 WTTDJLRDXMVBJU-UHFFFAOYSA-N 355.829 3.694 0 40 FHAB COC(=O)c1ccc(OCc2cc(=O)oc3cc(C)c(C)cc23)c(OC)c1 7033271 BWPBHJOAVKUVKH-UHFFFAOYSA-N 368.385 3.784 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)CCn1ccc2ccccc21 9118099 FRRQIHNWWKDLNM-UHFFFAOYSA-N 351.406 3.637 0 40 FHAB Cc1ccc(OCCNC(=O)Cc2csc(-c3ccccc3)n2)cc1 7995843 CAVUNMSDDGMZGW-UHFFFAOYSA-N 352.459 3.856 0 40 FHAB CC(C)c1nc([C@@H]2CCCCCN2C(=O)CSc2ccncc2)no1 96001249 CBIFXTFPZOVVLT-HNNXBMFYSA-N 360.483 3.824 0 40 FHAB Oc1ccc(-c2nnc3c4ccccc4c(Cc4ccccc4)nn23)c(O)c1 9341258 CNJVXUMZVRZAHO-UHFFFAOYSA-N 368.396 3.947 0 40 FHAB Cc1nccc(C(=O)NCc2ccc(N(C)c3ccccc3)c(F)c2)n1 71819358 LAQYISOXDURYIH-UHFFFAOYSA-N 350.397 3.622 0 40 FHAB CCc1ccccc1NC(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C 19911218 AOCMYHMXROSHLR-UHFFFAOYSA-N 372.375 3.992 0 40 FHAB COc1ccccc1Cn1cnc2c(sc3nc(C)cc(C)c32)c1=O 9683089 SFANYMZLEVTPNW-UHFFFAOYSA-N 351.431 3.680 0 40 FHAB O=C1CCc2cc(OC(=O)c3ccc(N4CCCCCC4)nc3)ccc2N1 75714095 RGORGNFILXPRSD-UHFFFAOYSA-N 365.433 3.566 0 40 FHAB O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2CN(Cc3cccs3)C[C@@H]21 306144099 YWFDSALJONPVCV-HKUYNNGSSA-N 371.483 3.763 0 40 FHAB Cc1cccc(Nn2c(N)nn(CC(=O)c3c(C)cccc3C)c2=S)c1 28535265 MERFYCCOBFSCCR-UHFFFAOYSA-N 367.478 3.680 0 40 FHAB C[C@@H](OC(=O)Cc1ccc(-n2cccc2)cc1)c1nc2ccccc2c(=O)[nH]1 84647197 WPPBTDLSBJVMBB-OAHLLOKOSA-N 373.412 3.561 0 40 FHAB Cc1ccc(C(=O)Nc2cccc3c2ccn3C(C)C)cc1-n1cnnn1 95478734 FQAFHYJBJPDVFU-UHFFFAOYSA-N 360.421 3.759 0 40 FHAB O=C(NCCc1c[nH]c2ccccc12)NCc1ccccc1OC(F)F 9955928 CUWKMFHRWDPIBS-UHFFFAOYSA-N 359.376 3.811 0 40 FHAB C[C@H]1CCCCN1C(=O)c1ccc(Cn2cc(Br)cn2)cc1 27969836 FFZBJFOYQMXZOK-ZDUSSCGKSA-N 362.271 3.709 0 40 FHAB O=C(O)CCc1ccc(-c2ccc(F)cc2)n1NC(=O)c1ccc(F)cc1 408969937 XGOPCQKCHNLMIM-UHFFFAOYSA-N 370.355 3.834 0 40 FHAB CCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)cc2OC)cc1 27563270 RMMHFLKGPBBJHU-XYOKQWHBSA-N 369.417 3.923 0 40 FHAB C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)n1cc(Br)cn1 28224035 IWHWAPDQMLWNQC-QMMMGPOBSA-N 362.149 3.864 0 40 FHAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccc(Cl)cc1)c1cscn1 72396970 TUANMLBXVQNUDW-HNNXBMFYSA-N 372.881 3.849 0 40 FHAB Cc1cccc(OCC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c1C 32125240 JHPVRKIOULGNJB-UHFFFAOYSA-N 372.490 3.750 0 40 FHAB CCc1ccc([C@@H](NC(=O)C2CCN(C(=O)C3CC3)CC2)C(C)C)cc1 32741327 RGGNCPWKOFNSTE-FQEVSTJZSA-N 356.510 3.711 0 40 FHAB CSc1ccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)cc1 64573594 MMWJAQPMGYAVGS-UHFFFAOYSA-N 373.499 3.919 0 40 FHAB CC[C@@](NC(=O)CCC(=O)c1ccccc1)(C(=O)O)c1ccc(Cl)cc1 507281261 PMMJUFFOEKZJRS-FQEVSTJZSA-N 373.836 3.809 0 40 FHAB COc1cccc(-c2cccc([C@H]3CCCN(Cc4cnn(C)c4)C3)n2)c1 72349958 FHBJVQAIHBSFNA-IBGZPJMESA-N 362.477 3.870 0 40 FHAB CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc(F)c2)SC1=S 35648691 ZKWSFKSHQLLQIJ-FFVMJPMASA-N 353.440 3.526 0 40 FHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc(Cl)ccc2O)c(C)c1 32978541 LGPDXFZVQLSORK-UHFFFAOYSA-N 360.841 3.682 0 40 FHAB COc1cccc(-c2cncc([C@@H]3CCCN(C(=O)c4ccncc4)C3)n2)c1 72359509 LFIWCQOZBNSREI-GOSISDBHSA-N 374.444 3.567 0 40 FHAB CCN(C[C@@H]1COc2ccccc2O1)[C@@H](C)C(=O)Nc1cc(C)ccc1C 216216415 IPNWDCNBYNXDIZ-ZWKOTPCHSA-N 368.477 3.792 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)c(C)c1 219531341 DXLQVIJCPAETSU-MRXNPFEDSA-N 352.434 3.836 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)NC[C@H](c1ccsc1)c1ccco1 670902438 AZPNCTAYWCGGFE-OAHLLOKOSA-N 365.451 3.899 0 40 FHAB CC(C)Cc1nc(C(=O)NC[C@]2(C)OCCc3sccc32)cs1 562178661 GXBAQPWRAKKIJA-KRWDZBQOSA-N 350.509 3.621 0 40 FHAB Cc1ccccc1Oc1cncc([C@H]2CCCN(C(=O)c3ccncc3)C2)n1 72362128 VZHFXEVKWXMEFV-SFHVURJKSA-N 374.444 3.992 0 40 FHAB Cc1noc(C)c1CSc1ccccc1C(=O)N1C[C@H](C)O[C@H](C)C1 40159855 AQIJDNRXCBVPDJ-BETUJISGSA-N 360.479 3.833 0 40 FHAB CC(C)n1cc(C2=CCCN(C(=O)Nc3ccccc3N(C)C)CC2)nn1 562840565 RDSOOAJORGHIBV-UHFFFAOYSA-N 368.485 3.636 0 40 FHAB COc1ccccc1OCCNC(=O)[C@H](C)Oc1ccccc1C(C)C 224422208 HYKBDGAKVZFMET-INIZCTEOSA-N 357.450 3.781 0 40 FHAB CCOC(=O)c1cc(NC(=O)COc2ccccc2F)ccc1Cl 222776969 PXYWOXVESUZLEG-UHFFFAOYSA-N 351.761 3.673 0 40 FHAB COC(=O)c1cc(NC(=O)[C@](C)(CC(C)C)OC)ccc1OCC(C)C 225792641 IJFKZNSXBCXPJR-FQEVSTJZSA-N 365.470 3.898 0 40 FHAB O=C(CSCc1ccccc1F)N1CCN(c2ccccc2F)CC1 222699826 MVLLKDKRCPGJMT-UHFFFAOYSA-N 362.445 3.547 0 40 FHAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc(F)cc1 224442567 CQNVLAISELKLHG-INIZCTEOSA-N 351.805 3.832 0 40 FHAB COc1cccc(NS(=O)(=O)c2ccc(-c3ccc(C=O)o3)cc2)c1 226318490 UQOKNXKDOUCBPP-UHFFFAOYSA-N 357.387 3.569 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 224180629 PRLNDLVMNKEOSV-NRFANRHFSA-N 366.505 3.789 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccc(Cl)cc1 224447474 JASZFJDQJZJMLF-KRWDZBQOSA-N 351.805 3.832 0 40 FHAB Cc1cc(C(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)c(C)o1 85471714 FPDMJXCAUOQZOA-UHFFFAOYSA-N 368.355 3.994 0 40 FHAB CCCc1ccc(OCCNC(=O)[C@@H](C)Oc2cccc(OC)c2)cc1 224429417 LYVCUMCBMLPMOX-MRXNPFEDSA-N 357.450 3.610 0 40 FHAB CCc1noc(C)c1C(=O)N(c1ccc(Br)cn1)C(C)C 330770223 NQDDSXOZOHLCMM-UHFFFAOYSA-N 352.232 3.758 0 40 FHAB Cc1ccncc1COC[C@@]12CCC[C@@H]1CN(Cc1scnc1C)C2 96208798 ZRMBSXZQLQKMKN-QUCCMNQESA-N 357.523 3.974 0 40 FHAB Cc1cnc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3)o2)cn1 257331574 XTKYYTTWDAZPHH-IBGZPJMESA-N 362.433 3.731 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H]1c1cnc(-c2cccc(C(=O)O)c2)cn1 257236709 HDISEHVKUHDMSO-KRWDZBQOSA-N 369.421 3.914 0 40 FHAB CCS(=O)(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 46704652 YGRAONGHSWSWIJ-INIZCTEOSA-N 362.882 3.893 0 40 FHAB CC(C)c1cc(C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)n[nH]1 53995739 HSSCRJAGNKMONO-UHFFFAOYSA-N 354.385 3.790 0 40 FHAB Cc1cnc(C(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2ccc(F)cc2)cn1 1615123793 VKAXTTMNGBXPKK-OALUTQOASA-N 368.456 3.586 0 40 FHAB COP(=O)(OC)[C@H](O)/C=C(/Cl)c1ccc(Br)cc1 32204822 ZMMXPZIFOLWFSX-HUYFXPKMSA-N 355.552 3.833 0 40 FHAB O[C@H](COCCOCCSc1ccccc1)CSc1ccccc1 5604178 FYTSIXMZIMKXCT-QGZVFWFLSA-N 364.532 3.965 0 40 FHAB CC(C)n1cc2c(C(F)(F)F)cc(N3CCC(CC(=O)O)CC3)nc2n1 12398949 RODWMVYOTAAUIA-UHFFFAOYSA-N 370.375 3.722 0 40 FHAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(-n2cncn2)cc1 12908918 KOJCHKWQKMMKTQ-UHFFFAOYSA-N 364.739 3.774 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)Cc2ccc(OC)c(OC)c2)c1 14601857 LDGGFZVBNHXFSM-UHFFFAOYSA-N 359.422 3.682 0 40 FHAB O=C(Cc1ccccc1O)N1CCC2(CC1)Nc1ccccc1-n1cccc12 19348086 GWOQDASPXJWKHI-UHFFFAOYSA-N 373.456 3.669 0 40 FHAB Cn1cnc2ccc(NC(=O)c3cc(COc4ccccc4F)on3)cc21 19714681 MVNBKHWJKSDDHS-UHFFFAOYSA-N 366.352 3.532 0 40 FHAB CCn1c2ccccc2c2cc(NC(=O)Cc3c(C)nc(C)[nH]c3=O)ccc21 19937512 NSPSGSLGVRMMIZ-UHFFFAOYSA-N 374.444 3.696 0 40 FHAB O=C(C1CCCCC1)N1CCO[C@H](c2cccc(Nc3nccs3)n2)C1 643550885 RVMHOFRFQMMVGX-INIZCTEOSA-N 372.494 3.762 0 40 FHAB CC1(C)C[C@@H]2CN(C(=O)c3cncc(F)c3)CC[C@@H]2N1c1ccc(F)cc1 2037988997 QNSGYINMYNCQOT-BEFAXECRSA-N 371.431 3.879 0 40 FHAB CC(C)c1ccc(CN2CCC[C@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)cc1 2056226239 NRXUGJFAVONVFM-QFIPXVFZSA-N 371.525 3.788 0 40 FHAB CCOc1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 5188269 SJOZUONHORKTMH-QGZVFWFLSA-N 367.449 3.629 0 40 FHAB O=C(c1cn(Cc2ccccc2)nc1OCc1ccccc1)N1CCCC1 9071243 RFULTQCLUYHHDN-UHFFFAOYSA-N 361.445 3.746 0 40 FHAB Cc1ccc(NC(=O)CCCn2nc(-c3ccccc3)ccc2=O)c(C)c1 11693286 RIUKKIZSUYUIDU-UHFFFAOYSA-N 361.445 3.946 0 40 FHAB COc1ccc(Cl)cc1NC(=O)Nc1c(C)nc2cc(C)ccn2c1=O 13707704 GXHSWRVMPFFNMM-UHFFFAOYSA-N 372.812 3.617 0 40 FHAB COc1ccccc1CC(=O)N1CC(n2c(C3CC3)nc3ccccc32)C1 1775971447 OMVXJHPPEITEED-UHFFFAOYSA-N 361.445 3.548 0 40 FHAB CN(C)[C@H](CNC(=O)NCc1ccc(F)cc1)c1cc2ccccc2o1 575619993 HIIOVRQNKBICCB-QGZVFWFLSA-N 355.413 3.674 0 40 FHAB O=C(NCc1nc(C2CCC(F)(F)CC2)no1)OCc1ccccc1 575615340 DEJCQEWXZBKNKT-UHFFFAOYSA-N 351.353 3.789 0 40 FHAB Cc1ccc(Nc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2)nn1 35597977 BOMLWRRPIZIHKC-UHFFFAOYSA-N 374.853 3.983 0 40 FHAB Cc1ccc(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)c(O)c1 15544228 QUCKYUWVZBZPBT-OAHLLOKOSA-N 362.838 3.796 0 40 FHAB O=C(CSCc1cccs1)NCc1cccc(CN2CCCC2)c1 40081358 FPLJOQWYQJQOMU-UHFFFAOYSA-N 360.548 3.894 0 40 FHAB CCOC(=O)Nc1ccc(C(=O)Nc2ccc(-n3cccn3)c(F)c2)cc1 40150941 TVSSWQKVDPGQOC-UHFFFAOYSA-N 368.368 3.832 0 40 FHAB CCCCC(=O)Nc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F 30450775 PQSVACNKGOZFNO-UHFFFAOYSA-N 358.369 3.935 0 40 FHAB O=C(CSc1ncnc2sccc12)c1cccc(N2CCCC2=O)c1 7363474 GWBYMCRMNLIBLW-UHFFFAOYSA-N 369.471 3.793 0 40 FHAB CC(C)NC(=O)COc1ccccc1-c1noc(-c2cccc(Cl)c2)n1 40488367 NAYTYWVGYSWNIX-UHFFFAOYSA-N 371.824 3.960 0 40 FHAB COc1cc(C)c(C)cc1S(=O)(=O)N1CCc2cc3ccccc3nc21 15841816 IPDICTACVTUWDR-UHFFFAOYSA-N 368.458 3.612 0 40 FHAB CC(C)(C)C1CCC(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)CC1 11376533 UOOOOMQOELZIPL-DQPZFDDXSA-N 363.523 3.874 0 40 FHAB CCOC(=O)c1ccc(C(=O)c2cccc(CN3CCSCC3)c2)cc1 2515279 NTTVKWMQXSUTTH-UHFFFAOYSA-N 369.486 3.643 0 40 FHAB CCC(=O)N1CCN(c2nc(C(C)C)nc3sc4c(c23)CCCC4)CC1 1377058 VWJRICXAXXCWJY-UHFFFAOYSA-N 372.538 3.752 0 40 FHAB Cc1ccc(N2C(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=S)cc1Cl 2091105 SVESGGSVJOBQBX-KRWDZBQOSA-N 369.877 3.962 0 40 FHAB biogenic Cc1nc(Cc2ccccc2)sc1C(=O)N(C)CCc1ccncc1 31864480 VLQBMADNXXJARH-UHFFFAOYSA-N 351.475 3.752 0 40 FHAB COc1cc2c(cc1OC)C(=O)[C@H](Cc1cc[n+](Cc3ccccc3)cc1)C2 3964923 RCRQOFLAAVCAGE-HXUWFJFHSA-N 374.460 3.637 0 40 FHAB in-vitro COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)O[C@H]1CC[C@@H](C)[C@@H](C)C1 4066622 IYZGWKKKLLAJOX-QUHUKJRKSA-N 372.465 3.691 0 40 FHAB CCN(CC)C(=O)N1CCC(NC(=O)c2ccc(C(C)(C)C)cc2)CC1 4400466 ZTFXTEYNNFNGRJ-UHFFFAOYSA-N 359.514 3.640 0 40 FHAB Cc1cccc(N2CCN(C(=O)CSCc3ccccc3)CC2)c1C 6394260 UUNJBXFFYOPSPF-UHFFFAOYSA-N 354.519 3.885 0 40 FHAB Cc1cc(CNC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)ccc1F 29774690 RCDDRSFRGMWLCL-UHFFFAOYSA-N 363.816 3.808 0 40 FHAB Cc1nnc(NC(=O)CCC(=O)OCc2ccc(Cl)c(Cl)c2)s1 8474168 KBYNKHBVGALYED-UHFFFAOYSA-N 374.249 3.615 0 40 FHAB CCOc1cccc2cc(C(=O)Nc3cc(C)ccc3OC)c(=O)oc12 8855851 VOMLMEHSSPEYPY-UHFFFAOYSA-N 353.374 3.761 0 40 FHAB Cc1cccc(N2CCN(C(=O)c3ccc4ncsc4c3)CC2)c1C 2639430 LEQOEQSXQOTOPI-UHFFFAOYSA-N 351.475 3.876 0 40 FHAB Cc1csc(SCCC(=O)Nc2ccc(N3CCCC3=O)cc2)n1 32869797 TUBKINPYCNKKCF-UHFFFAOYSA-N 361.492 3.699 0 40 FHAB Cc1cccc2nc(C(=O)N(C)Cc3ccccc3Br)cn12 32999667 LDHKKUNLMRTSPD-UHFFFAOYSA-N 358.239 3.677 0 40 FHAB COc1ccc(OCCOC(=O)Cc2coc(-c3ccccc3)n2)cc1 37123958 SARKOQGNQDAPCN-UHFFFAOYSA-N 353.374 3.515 0 40 FHAB COc1ccc(-n2nnc(C(=O)Nc3cccc(F)c3)c2C)cc1Cl 2713240 DRZHUOIMOFUFPT-UHFFFAOYSA-N 360.776 3.629 0 40 FHAB CCc1ccc(OCn2cc(NS(=O)(=O)c3ccc(C)cc3)cn2)cc1 2804410 YZYGRYTXFXFNAT-UHFFFAOYSA-N 371.462 3.591 0 40 FHAB CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 57121319 UEVUGPZZNZIWNJ-GFCCVEGCSA-N 366.870 3.669 0 40 FHAB c1coc(-c2cc(CSc3nnc(NC[C@@H]4CCCO4)s3)no2)c1 23846410 CMZXMKDXQAOLAJ-NSHDSACASA-N 364.452 3.669 0 40 FHAB COc1cccc(CN(C)C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)c1 47586228 IFFMAVXXGBKUCY-UHFFFAOYSA-N 369.465 3.887 0 40 FHAB COCc1cccc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)n2)c1 92276492 FLJZASWCOMCPRG-UHFFFAOYSA-N 351.406 3.588 0 40 FHAB C[C@H](Sc1nccc(C(F)(F)F)n1)C(=O)Nc1ccc(N(C)C)cc1 12537456 QGERTACFRJAJPQ-JTQLQIEISA-N 370.400 3.681 0 40 FHAB CC(C)NC(=O)CN(C)[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 24716826 LTNAMLYSDFZFAC-NRFANRHFSA-N 363.461 3.548 0 40 FHAB Cc1ncsc1C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 55406108 MHBURFQWHXXZSJ-UHFFFAOYSA-N 371.384 3.559 0 40 FHAB CC1(C)[C@H]2CC[C@]1(C)c1nnc(SCC(=O)Nc3ccccc3)nc12 1432798 GBBNQFROPRFRRA-ORAYPTAESA-N 354.479 3.777 0 40 FHAB COc1cc(C(=O)Nc2ccc(Cl)cn2)cc(OC)c1Br 26861078 QDNGRTWJBYLIDL-UHFFFAOYSA-N 371.618 3.767 0 40 FHAB CCOC(=O)Cc1csc(NCC(=O)c2ccc(Cl)c(Cl)c2)n1 3236348 PSXKCEFURWKSDH-UHFFFAOYSA-N 373.261 3.850 0 40 FHAB C[C@@H](NC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1cccs1 57991610 HGTSPBUHVTZDMX-SECBINFHSA-N 358.872 3.688 0 40 FHAB O=C(NCc1ncc(-c2ccccc2)[nH]1)c1ccccc1Br 58225092 VHOOHMPFZJTCPW-UHFFFAOYSA-N 356.223 3.769 0 40 FHAB Cc1occc1-c1nnc(S[C@H](C)C(=O)NCCC2=CCCCC2)n1C 3398247 QYQDIDVWMIXZIR-CQSZACIVSA-N 374.510 3.871 0 40 FHAB C[C@@H](C(=O)Nc1cccc2ccccc12)N1CCc2ccc(O)cc2CC1 58314999 VSEJEDQLRNTEEE-INIZCTEOSA-N 360.457 3.973 0 40 FHAB CCOP(=O)(OCC)[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl 2257364 YYHULQFROKHYTG-VIFPVBQESA-N 354.598 3.721 0 40 FHAB O=C1C[C@@H](c2ccc(C(=O)O)cc2)c2ncn(-c3ccccc3Cl)c2N1 36358336 IOECWQHJEUPPIW-ZDUSSCGKSA-N 367.792 3.698 0 40 FHAB NC(=O)c1ccccc1NCC(=O)Nc1ccccc1Oc1ccccc1 10771412 XUQMYFQPCSHIKT-UHFFFAOYSA-N 361.401 3.628 0 40 FHAB O=C(c1cccnc1Sc1cccc(C(F)(F)F)c1)N1CCOCC1 12759770 OBBDZXQZMZWFMS-UHFFFAOYSA-N 368.380 3.724 0 40 FHAB O=C(NCc1cc(-c2ccccc2)no1)c1c[nH]nc1-c1ccc(F)cc1 48253606 REFBSDXYCOWSIF-UHFFFAOYSA-N 362.364 3.801 0 40 FHAB Cc1ncsc1C(=O)NCc1ccc(CN2C[C@@H](C)C[C@H](C)C2)cc1 48310262 LBVNQKNSTYXOGM-GJZGRUSLSA-N 357.523 3.859 0 40 FHAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccc(Cl)c(Cl)c1 12892048 PWSOBZNPTOEPRZ-UHFFFAOYSA-N 367.163 3.832 0 40 FHAB Cc1nn(C(C)C)c(C)c1NC(=O)Nc1cccc(N2CCOC2=O)c1 62580010 STBZIYRSTSHTKQ-UHFFFAOYSA-N 357.414 3.681 0 40 FHAB CC1CCN(CCCNC(=O)Nc2ccc(F)cc2Br)CC1 48452674 WQAVNYLDBGZWHC-UHFFFAOYSA-N 372.282 3.832 0 40 FHAB Cc1ccc(OCC(=O)NC(=S)Nc2ccc(Cl)cn2)cc1Cl 16313016 FBPSMGORRSETIK-UHFFFAOYSA-N 370.261 3.589 0 40 FHAB NC(=O)Nc1ccc(CNC(=O)c2ccccc2CCc2ccccc2)cc1 12981957 VAUCCFOEZURCNO-UHFFFAOYSA-N 373.456 3.892 0 40 FHAB O=C(COC(=O)c1ccccc1Br)Nc1ccc2c(c1)CCC2 3523471 JQTNXCNBWAOLSA-UHFFFAOYSA-N 374.234 3.733 0 40 FHAB COc1cc(CCC(=O)NCCCO[C@@H](C)c2ccccc2)cc(OC)c1 13006908 DHOWWJGOIWVQFY-KRWDZBQOSA-N 371.477 3.921 0 40 FHAB CCSc1nnc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)s1 8040118 GWSMSDMWULMBGN-UHFFFAOYSA-N 371.491 3.966 0 40 FHAB CCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCCC)cc1 4064393 CUVJZAFKXWQYDK-GOSISDBHSA-N 360.454 3.837 0 40 FHAB O=C1S/C(=C/c2ccccc2F)C(=O)N1CNc1ccc2c(c1)OCO2 4082508 NEOZWBPAYRMDIH-FRKPEAEDSA-N 372.377 3.660 0 40 FHAB CCCc1c(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)[nH]c(C)c1C(C)=O 65478996 GULJVBRCJPAKAR-UHFFFAOYSA-N 364.449 3.798 0 40 FHAB Cc1cc(Br)ccc1NC(=O)CCCn1c(C)csc1=O 14199681 LCNUFMCWXRCDPV-UHFFFAOYSA-N 369.284 3.708 0 40 FHAB COc1ccc(NC(=O)[C@H](C)Oc2ccc3ccc(=O)oc3c2)cc1Cl 14139407 ITWYBZMNUONPAT-NSHDSACASA-N 373.792 3.861 0 40 FHAB C[C@@]12CC[C@@H](OS(=O)(=O)O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)CC[C@H]12 4543817 CZWCKYRVOZZJNM-FLDBGCDGSA-N 368.495 3.706 0 40 FHAB Cc1cccc2cc(CN(Cc3ccco3)C(=O)c3ccncc3)c(=O)[nH]c12 8772762 UIIYUPPDWRPNCQ-UHFFFAOYSA-N 373.412 3.667 0 40 FHAB O=C(Nc1ccccc1)c1ccc(CN2CCN(c3ccccn3)CC2)cc1 6652192 PPEPIESEMGRTCJ-UHFFFAOYSA-N 372.472 3.656 0 40 FHAB O=C1N[C@]2(CCCc3sccc32)C(=O)N1Cc1nc2ccccc2s1 5679176 BQMVNGAVDCJFEX-SFHVURJKSA-N 369.471 3.641 0 40 FHAB CCCc1cc(O)n2nc(NCc3ccc(Cl)cc3Cl)nc2n1 8602304 YKVFMURUJOMKNI-UHFFFAOYSA-N 352.225 3.701 0 40 FHAB CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1cccc(OC)c1 8606830 URMJAAZIFVSQEI-UHFFFAOYSA-N 364.445 3.898 0 40 FHAB COc1ccc(OC)c(NC(=O)Nc2ccn(Cc3cccc(C)c3)n2)c1 27916341 SWEPHOURMCXGGE-UHFFFAOYSA-N 366.421 3.901 0 40 FHAB O=C(CSc1nc(-c2ccccc2)cs1)NC(=O)NC1CCCC1 5971832 YRKRXYACJJMSJU-UHFFFAOYSA-N 361.492 3.671 0 40 FHAB O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccnn1C1CCCC1 15377508 RDONFVNTDYMSET-UHFFFAOYSA-N 366.509 3.891 0 40 FHAB COc1ccc([C@H](C)N2Cc3cc(Cl)ccc3OCC2=O)cc1OC 67323781 LZWCWSYRLFKVMI-LBPRGKRZSA-N 361.825 3.839 0 40 FHAB CCC[C@@H](C)NC(=O)c1cn(CC)c2ccc(C(F)(F)F)cc2c1=O 22236945 JWBRIXLKHIIVKV-LLVKDONJSA-N 354.372 3.959 0 40 FHAB O=C(CCC(=O)N1CCc2ccccc2C1)c1ccc(Br)cc1 8849519 SAXRNTRMVLBSFR-UHFFFAOYSA-N 372.262 3.997 0 40 FHAB CC(=O)c1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)cc1 9690219 XKDHKSXGSCURBB-UHFFFAOYSA-N 359.809 3.885 0 40 FHAB CCc1ccc2[nH]c(C)c(CN3CCN(c4ccccc4)CC3)c(=O)c2c1 19793699 IZUXEVAOTADWLI-UHFFFAOYSA-N 361.489 3.721 0 40 FHAB CN(Cc1ccccc1)CC(C)(C)CNCCC(=O)NC1CCCCC1 72309905 XSXYFNLPONJICJ-UHFFFAOYSA-N 359.558 3.573 0 40 FHAB Cn1nc(-c2ccccc2)cc1C(=O)Nc1nc(-c2ccccn2)cs1 72405476 XVALJRQNAUPHSC-UHFFFAOYSA-N 361.430 3.858 0 40 FHAB O=C(Nc1cccnc1-n1cnc(Cl)c1Cl)c1cccc(F)c1 72405646 RZYANTZHASRFOD-UHFFFAOYSA-N 351.168 3.966 0 40 FHAB C[C@H]1CCN(CC2=NS(=O)(=O)c3ccccc3N2)c2ccccc2S1 84700108 IUWCDSRVJKPMCM-ZDUSSCGKSA-N 373.503 3.590 0 40 FHAB O=C(O)CCNC(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1 62715563 JCUDBLFRZBOGMO-JXMROGBWSA-N 359.809 3.523 0 40 FHAB CCOC(=O)C1=C(C)N=C2SC=C(C)N2[C@@H]1c1ccc(OC)cc1OC 408992600 UGMMTXNXRMOICL-QGZVFWFLSA-N 374.462 3.862 0 40 FHAB CCOC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)c2ccncc2)C=C1C 30882354 BSTZJININODUKU-FHWLQOOXSA-N 358.482 3.619 0 40 FHAB biogenic,in-vitro CC[C@H](NC(=O)COc1cc(OC)cc(OC)c1)c1ccc(C)cc1C 218898852 OYKZELXWWGHELD-FQEVSTJZSA-N 357.450 3.967 0 40 FHAB COc1ccc2c(c1)c(CN1CCC[C@H](Cn3ccnc3C)C1)c(C)n2C 72392146 VMSARXXENCBJRJ-SFHVURJKSA-N 366.509 3.912 0 40 FHAB O=C(O)/C(=C/c1ccc(Cl)c(Cl)c1)n1nnnc1-c1ccccc1 39931998 GPOIOLNYIRMVIC-ZROIWOOFSA-N 361.188 3.730 0 40 FHAB O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cc2ccccc2oc1=O 36716723 ROUIGFAFJQVLQZ-FQEVSTJZSA-N 356.381 3.707 0 40 FHAB CCc1nccn1-c1cncc([C@H]2CCCN2CCCc2ccccc2)n1 72378679 DIBQYDIKLAHLMN-HXUWFJFHSA-N 361.493 3.994 0 40 FHAB O=C(Nc1ccc2c(c1)CCC2)C1CCN(C(=O)NC2CCCCC2)CC1 35313668 OYHJZLPEGSSHLJ-UHFFFAOYSA-N 369.509 3.868 0 40 FHAB Cc1nn(C)cc1CN1CCC[C@@H](c2cccc(Nc3ccccn3)n2)C1 72376038 JPPUMDZBIXZKKQ-QGZVFWFLSA-N 362.481 3.642 0 40 FHAB CCOc1ccc(CNC(=O)[C@H](C)Oc2ccccc2OC)cc1OCC 219493960 BOMTYIZLWLPLFR-HNNXBMFYSA-N 373.449 3.576 0 40 FHAB CC(C)Cn1c(S[C@@H](C)c2ccc(F)cc2)nnc1N1CCOCC1 48325200 RKVULRHIECAWIF-AWEZNQCLSA-N 364.490 3.763 0 40 FHAB Cc1cccc(-c2noc(CNC(=O)COc3ccccc3C(C)C)n2)c1 222813872 SXBLHSWYIGWCPS-UHFFFAOYSA-N 365.433 3.864 0 40 FHAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 225782410 GOJJVEIVFIHWQA-BHMJEEKUSA-N 364.445 3.664 0 40 FHAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NCC(C)C 224349044 GUOFSMSTSAQOAC-LBPRGKRZSA-N 359.297 3.893 0 40 FHAB COc1ccc(NC(=S)NCCCSCc2ccc(F)cc2)cn1 225616818 PBZWOVWEWNVTAL-UHFFFAOYSA-N 365.499 3.839 0 40 FHAB Cc1ccc(OCC(=O)Nc2cc(N)ccc2N2CCCCC2)cc1C 226253012 LYLGOSNYRDIPKK-UHFFFAOYSA-N 353.466 3.893 0 40 FHAB CCc1nc(-c2cc(C(=O)NCc3ccccn3)c3ccccn23)cs1 96266747 QMTBCTJQWWCNID-UHFFFAOYSA-N 362.458 3.950 0 40 FHAB COc1ccc(NC(=O)Nc2cc(C)c3c(c2)C(C)(C)C(=O)N3C)cc1 96182166 GTNOPGYMDTWQDQ-UHFFFAOYSA-N 353.422 3.902 0 40 FHAB O=C(c1snnc1C1CC1)N1CCCc2c(OC(F)F)cccc21 580165995 VEJQCKNBIQDBMF-UHFFFAOYSA-N 351.378 3.610 0 40 FHAB Cc1ccc(CN2CCC3(CC2)C[C@@H](N(C)Cc2ccncc2)CO3)s1 96048081 JTQPDMLBILCJJO-LJQANCHMSA-N 371.550 3.707 0 40 FHAB O=C(c1cccs1)N1Cc2cccn2[C@@H](CCOCC2CCOCC2)C1 247967988 ZZEBAPFFDUHKIY-SFHVURJKSA-N 374.506 3.580 0 40 FHAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N(C)C)[C@@H]1c1cccs1 257173722 VQEPTPBLFZKNJB-ROUUACIJSA-N 356.491 3.773 0 40 FHAB CCn1c(C)c(C)c2cc(C(=O)NS(=O)(=O)c3ccc(F)cc3)ccc21 257272301 NBWSNVVVIBUXKX-UHFFFAOYSA-N 374.437 3.536 0 40 FHAB Fc1ccc(F)c(CN2CCC[C@H](Cc3cc(-c4ncc[nH]4)ncn3)C2)c1 257248693 JEUDUOPIRWVVAP-CQSZACIVSA-N 369.419 3.600 0 40 FHAB CCCCCC(=O)N1CCC[C@@H]2[C@H]1CCCCN2CC1CCOCC1 257339005 YZVHEMWJOYFYDQ-WOJBJXKFSA-N 350.547 3.839 0 40 FHAB O=C(c1nccc2ccccc12)N1Cc2nccn2C[C@@H]1c1ccccc1 257204646 AVSHQKCPLNWQEU-LJQANCHMSA-N 354.413 3.829 0 40 FHAB CC(=O)N1CC2=C(C1=O)[C@@H](C1CCCCC1)c1cn(C)c3cccc(c13)N2 604419710 SSHFKPLXQNVSLJ-IBGZPJMESA-N 363.461 3.911 0 40 FHAB Cc1scc(CN2CCC(=O)N(C[C@@H]3CCCC3(F)F)C2=O)c1C 1775997206 YALJAXPOIVZUDU-AWEZNQCLSA-N 356.438 3.955 0 40 FHAB CO[C@@H]1CCN(c2ccc(NC(=O)CSc3ccc(F)cc3)cc2)C1 96122221 ZBWGERHIMQLPMN-QGZVFWFLSA-N 360.454 3.782 0 40 FHAB Cc1cc(C)cc(C(=O)N2CCC[C@@]3(CC2)CCN(CC2CC2)C3=O)c1 585103007 KTMCTIWOGXVYNR-JOCHJYFZSA-N 354.494 3.558 0 40 FHAB CCc1nc(NC(=O)c2ccc(CSc3ncn[nH]3)cc2)sc1C 53570346 WNIOLQPPWWFLKI-UHFFFAOYSA-N 359.480 3.677 0 40 FHAB COc1ccc(-c2n[nH]c(SCc3nc4ccccc4[nH]3)n2)c(OC)c1 65999976 RCDBIKKZNKUXMS-UHFFFAOYSA-N 367.434 3.658 0 40 FHAB C[C@H]1CN(C(=S)Nc2ccc3c(c2)OCCO3)C[C@@H](c2ccccc2)O1 63177126 YVSDJTZSELYYCG-LIRRHRJNSA-N 370.474 3.617 0 40 FHAB O=C(Cc1ccsc1)N1C[C@@H]2CCCCN(Cc3ccccc3)[C@@H]2C1 72330660 RLXZXOPHFDBNOA-VQTJNVASSA-N 354.519 3.804 0 40 FHAB COc1ccccc1NC(=O)c1cccn(Cc2cc(C)ccc2C)c1=O 5270011 FHZCMVBEFODMOQ-UHFFFAOYSA-N 362.429 3.774 0 40 FHAB COc1cccc(NC(=O)N2CCC[C@H](C(=O)N[C@H]3CCCC[C@@H]3C)C2)c1 12471745 OASMZMFZFUKDCS-BXWFABGCSA-N 373.497 3.634 0 40 FHAB CCCCCOc1ccc(C(=O)OCc2nc3ccsc3c(=O)[nH]2)cc1 12684267 SJDILDAHKRYLCW-UHFFFAOYSA-N 372.446 3.911 0 40 FHAB Cc1cccc(-c2noc([C@@H]3[C@@H]4CC[C@@H](C4)N3C(=O)c3cccnc3)n2)c1 19235541 KPLJPHKINSQBPT-JLSDUUJJSA-N 360.417 3.806 0 40 FHAB CC(C)c1cc(C(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccncc2)on1 19452888 YJDPOFICWYXMAH-MRXNPFEDSA-N 351.410 3.560 0 40 FHAB CCC(=O)N1CC[C@](Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)C1 19498415 PEAWCQICJLOHLN-OAQYLSRUSA-N 370.518 3.675 0 40 FHAB CC(C)(C)CN1CC[C@H](c2ccc3c(NCc4ccccn4)n[nH]c3n2)C1 19704999 AFYDLGBCJAQTIG-HNNXBMFYSA-N 364.497 3.800 0 40 FHAB C[C@]12C[C@@H](Cc3ccccc3)N[C@H]1CCCCCN2C(=O)c1cccnc1 19713445 TUBVLBCUCBQFJX-GIWBLDEGSA-N 363.505 3.830 0 40 FHAB Cc1nccn1[C@H](C(=O)NCc1ccccc1N1CCCC1)c1ccccc1 19718827 HVULJMBDPJBNLF-QFIPXVFZSA-N 374.488 3.698 0 40 FHAB CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@H]3CC[C@@H](OC(C)=O)[C@@]3(C)C[C@H]3O[C@@]213 169796374 RTQHUAHEQACVGY-HJEMKOJISA-N 370.445 3.520 0 40 FHAB COC1(CNC(=O)CCc2ccc(C(F)(F)F)cc2)CCSCC1 225593735 QPUAXUQGWPVZQA-UHFFFAOYSA-N 361.429 3.666 0 40 FHAB Cc1cc(S(=O)(=O)N2CCc3sccc3C2)ccc1Br 12944231 UBIPGWBYLNTJKU-UHFFFAOYSA-N 372.309 3.566 0 40 FHAB O=C(Nc1ccc(-c2ccn[nH]2)cc1)c1cc(OCc2ccccc2)ncn1 240122710 WHTAMLSDKKBYEC-UHFFFAOYSA-N 371.400 3.698 0 40 FHAB Cc1cnc(Nc2nccc(C3CCN(Cc4cccnc4)CC3)n2)s1 2037834869 ZTRHAJNCEJQNKH-UHFFFAOYSA-N 366.494 3.760 0 40 FHAB COc1ccc(NC(=O)Cn2c(-c3nnc(C)o3)cc3ccccc32)cc1 9573816 WREWNTQDMAPCAI-UHFFFAOYSA-N 362.389 3.647 0 40 FHAB Cc1cccc(Cn2cc(C(=O)Nc3ccc(F)c(F)c3F)ccc2=O)c1 15883093 FOLNGACJYXVIGG-UHFFFAOYSA-N 372.346 3.875 0 40 FHAB O=C(c1cccc(Cl)c1)N1CCC[C@@]2(CCN(c3ccccc3)C2=O)C1 2055835593 PFXTYTVNVWQKOB-OAQYLSRUSA-N 368.864 3.999 0 40 FHAB CC(C)(C)C(=O)N[C@@H]1CCCN(c2ncc(Cl)cc2Br)C1 2298099645 LAXGXPNFZWXIBT-LLVKDONJSA-N 374.710 3.629 0 40 FHAB O=C(Cc1c(F)cccc1Cl)NCc1ccccc1Cn1ccnc1 40023561 FLKKWLWWNLMXPW-UHFFFAOYSA-N 357.816 3.583 0 40 FHAB Clc1ccc(-c2nc(COc3ccc(-n4cnnn4)cc3)co2)cc1 40005779 HNFOIJNELPGAOQ-UHFFFAOYSA-N 353.769 3.550 0 40 FHAB C[C@H](NC(=O)Cc1csc(Cc2ccccn2)n1)c1cccc(F)c1 40130412 RMULYIIDRCYDGL-ZDUSSCGKSA-N 355.438 3.688 0 40 FHAB CN(C)[C@@H](CNC(=O)Nc1ccc(OC(F)F)cc1)c1ccsc1 40103160 SSGFIYMSVKOZKD-AWEZNQCLSA-N 355.410 3.774 0 40 FHAB O=C(Nc1cccc(-c2nnco2)c1)c1ccc(CN2CCCCC2)cc1 30584440 SBABPJJTBCYKPV-UHFFFAOYSA-N 362.433 3.975 0 40 FHAB O=C(c1cc(-c2ccco2)n[nH]1)N1CCC(c2nc3ccccc3[nH]2)CC1 31176299 QUHGBKUGRLEERH-UHFFFAOYSA-N 361.405 3.566 0 40 FHAB Cc1ccc(-c2csc(NC(=O)Cc3c(C)nn(C)c3C)n2)cc1C 10817606 JITJPJOQIXKIOB-UHFFFAOYSA-N 354.479 3.958 0 40 FHAB COc1cc(C(=O)N[C@@H]2CCOc3ccccc32)ccc1OCC(C)C 28665405 IYXBGPJOSRSUSS-QGZVFWFLSA-N 355.434 3.984 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 15425432 QGKMJAYSDNPVGM-INIZCTEOSA-N 367.449 3.886 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)CCC(C)=O)c1ccccc1 11151635 ZXZYIVDUXOUFBP-HXUWFJFHSA-N 369.417 3.596 0 40 FHAB O=C(O[C@H](C(=O)NCc1cccs1)c1ccc(F)cc1)c1ccco1 1381208 GEBHVYOUUKPLHS-INIZCTEOSA-N 359.378 3.695 0 40 FHAB Cc1ccc(N2C(=O)[C@H](C)S[C@@]23C(=O)Nc2ccc(Cl)cc23)cc1 1609975 YSSLFHRIMYVOBL-VOJFVSQTSA-N 358.850 3.922 0 40 FHAB CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(C)cc2)N2C(=O)CCSC2=N1 2502017 BIBMBGLIPYDHPM-SFHVURJKSA-N 372.490 3.844 0 40 FHAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C(C)C)cc3)ccc21 4884375 ZMFRSAUGIPWUCA-UHFFFAOYSA-N 358.463 3.520 0 40 FHAB CC(=O)c1cccc(NS(=O)(=O)c2cc(Br)ccc2C)c1 7418640 NMIDQRDVRNODRQ-UHFFFAOYSA-N 368.252 3.761 0 40 FHAB O=C(Nc1ccc(F)c(F)c1F)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32796410 MTGLKKPHLTUTKM-CYBMUJFWSA-N 374.362 3.584 0 40 FHAB CCCCOC(=O)c1ccc(OC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1 32885618 LDYTXRACPRGVOA-KRWDZBQOSA-N 367.401 3.675 0 40 FHAB O=C(NCc1cccc(Cn2ccnc2)c1)c1ccc2ccccc2c1O 32914492 WFJFAQYAHBFLJJ-UHFFFAOYSA-N 357.413 3.720 0 40 FHAB COC(=O)CN(Cc1ccccc1)C(=O)c1cc2c(F)cccc2s1 59338022 ITKICMZSKNYAJW-UHFFFAOYSA-N 357.406 3.856 0 40 FHAB CCn1ncc([C@H](C)NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)c1C 2804049 SXJSGHGFXNXBDT-GXTWGEPZSA-N 358.486 3.841 0 40 FHAB CCOC(=O)C[C@@H](NC(=O)CSc1ccc(F)cc1)c1ccccc1 58017035 SCHVSYGAXTYLFU-QGZVFWFLSA-N 361.438 3.729 0 40 FHAB COC(=O)CSCc1nc2sc(C)c(-c3ccc(C)cc3)c2c(=O)[nH]1 21244619 XCMHLQVMPNHGCM-UHFFFAOYSA-N 374.487 3.675 0 40 FHAB CC[C@H](C)C(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1 42036600 FTEVEPTXLREQKX-RYUDHWBXSA-N 354.376 3.500 0 40 FHAB COCCOc1ccc([C@@H](C)NC(=O)c2c(C)oc(C)c2C)cc1OC 53800778 GHGYNBYGRDLQSM-CYBMUJFWSA-N 361.438 3.730 0 40 FHAB COC(=O)c1cc(NC(=O)COc2ccc(F)cc2Cl)c(F)cc1F 22889728 XJNWTGXGGYAPRP-UHFFFAOYSA-N 373.714 3.561 0 40 FHAB O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)NC1CCCCC1 811876 SZUBIPYHQGQAFO-UHFFFAOYSA-N 350.418 3.914 0 40 FHAB COc1cc(C)c(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2cccnc2)cc1C 100148583 KCFXASUERUKMJE-SFTDATJTSA-N 366.505 3.827 0 40 FHAB COc1ccc(C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1OC 943423 KLJUCCFFRHGKBD-UHFFFAOYSA-N 366.369 3.518 0 40 FHAB O=C(N[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1)C1CCOCC1 23323726 WOCGOVJOXDZFNU-SFHVURJKSA-N 361.388 3.920 0 40 FHAB CC[C@H](C)OC(=O)c1nc(C)c(C)nc1C(=O)Nc1cc(C)ccc1C 103184286 IWJWKNWLTDSJQM-ZDUSSCGKSA-N 355.438 3.918 0 40 FHAB COC[C@H](C)n1c(COc2ccccc2F)nnc1SCC(C)C 3297148 UILPGFXSFIZJFL-ZDUSSCGKSA-N 353.463 3.952 0 40 FHAB Cn1c(SCc2nc3cc(Cl)ccc3n2C)nnc1C(F)(F)F 43243009 LPQNMVFZPSESFR-UHFFFAOYSA-N 361.780 3.666 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(-c2ccn[nH]2)c1 24887195 GPQDASFNXXFUCM-OAQYLSRUSA-N 372.428 3.979 0 40 FHAB COCCC(=O)Nc1c(C)nn(COc2cccc(C(F)(F)F)c2)c1C 28305392 FAKYLLDQAZUMES-UHFFFAOYSA-N 371.359 3.530 0 40 FHAB CC[C@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1 12604821 OCIHSPUTMPDABL-AWEZNQCLSA-N 360.479 3.633 0 40 FHAB Cc1cccc(OC[C@@H](O)CN2CCC(Cc3ccccc3)CC2)c1C 26780471 YUEPRKAKQFHNRT-QFIPXVFZSA-N 353.506 3.998 0 40 FHAB Cn1ccnc1SCCNc1nc(C(F)(F)F)nc2ccccc12 12628223 FRANBACIWVVURC-UHFFFAOYSA-N 353.373 3.586 0 40 FHAB O=C(Nc1cccc(-c2nnco2)c1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 44086223 CVYVWKGRIIUYAE-WCQYABFASA-N 354.332 3.979 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2cccc(OC)c2)c1 20459619 YWSYDRFKKDSGPK-LLVKDONJSA-N 363.797 3.541 0 40 FHAB CCNC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 3315514 IBUBVHUBVGXKIR-UHFFFAOYSA-N 368.820 3.848 0 40 FHAB CCn1c(S[C@@H](C)C(=O)Nc2cccc(F)c2)nc2ccccc2c1=O 12777041 MLOABPPBPDLGOR-LBPRGKRZSA-N 371.437 3.675 0 40 FHAB CC1(C)Cc2cccc(OCCn3c(=S)[nH]c4ccccc4c3=O)c2O1 27223908 DZYMMHMLWKPNGT-UHFFFAOYSA-N 368.458 3.852 0 40 FHAB O=C(NCc1ncc(-c2ccccc2)[nH]1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 109094579 OAAGATWNPLFLCL-CABCVRRESA-N 353.372 3.775 0 40 FHAB COc1cc(CCNC(=O)N[C@@H]2CCCC[C@H]2C)ccc1OC(F)F 12772260 ZTGBJBZMFJTCDN-TZMCWYRMSA-N 356.413 3.717 0 40 FHAB C[C@@H](c1ccccc1)n1cnnc1SCC(=O)N(C)c1ccccc1 58101845 FOLWKWNWRVVYRR-HNNXBMFYSA-N 352.463 3.643 0 40 FHAB O=C(c1cscn1)N1CC[C@]2(CCCc3c2n[nH]c3-c2ccsc2)C1 306142909 XNZCEPYBHZJJQN-GOSISDBHSA-N 370.503 3.715 0 40 FHAB COC(=O)c1sc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)nc1C 58392131 AJPVFCFLMDGMBQ-WDEREUQCSA-N 350.827 3.634 0 40 FHAB CC(C)(C)OC(=O)N1CCN(C(=O)Nc2cccc3c2CCCC3)CC1 58390737 PHSALIAFLYWDPV-UHFFFAOYSA-N 359.470 3.650 0 40 FHAB CCc1ccccc1Nc1nnc(SCC(=O)Nc2ccon2)s1 10422728 AJDSEXLITAPOHG-UHFFFAOYSA-N 361.452 3.563 0 40 FHAB ClC(Cl)(Cl)c1nc(-c2noc(C(Cl)(Cl)Cl)n2)no1 2274416 SCANBQYJJWEAEU-UHFFFAOYSA-N 372.810 3.773 0 40 FHAB CNc1snc(C)c1C(=O)NCc1cccnc1Oc1cccc(F)c1 48253957 ZESFXYKDGDUIAC-UHFFFAOYSA-N 372.425 3.750 0 40 FHAB CCn1c(NC(=O)Cc2c(C)nn(CC(C)C)c2C)nc2ccccc21 10652067 WFYBDIQSFYUDNI-UHFFFAOYSA-N 353.470 3.707 0 40 FHAB COc1ccc(CNC(=O)c2cc(C(C)C)nc3onc(C)c23)cc1OC 36357400 NORFCQBJEQJLOL-UHFFFAOYSA-N 369.421 3.602 0 40 FHAB CCOC(=O)c1cnc(-n2cc(C)cn2)nc1Nc1ccc(C)c(C)c1 2381368 CXDIFERCFTXUPX-UHFFFAOYSA-N 351.410 3.508 0 40 FHAB C[C@H]1CN(Cc2ccccc2CNC(=O)CCc2ccsc2)C[C@@H](C)O1 48358397 OVOUJQUGIDRBLF-CALCHBBNSA-N 372.534 3.606 0 40 FHAB CC(C)[C@@H](C)NC(=O)CSc1nnc(Nc2ccccc2F)s1 3417786 DAULWCBRONESSK-SNVBAGLBSA-N 354.476 3.674 0 40 FHAB O=S(=O)(N1CCCCCC1)N1CCC[C@@H]1c1nc2ccccc2s1 12913515 ILIODSXHHQUFCD-OAHLLOKOSA-N 365.524 3.554 0 40 FHAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccccc1C(=O)NC1CC1 7781500 VKDLGRWSXSRETF-UHFFFAOYSA-N 361.401 3.795 0 40 FHAB COc1ccc(CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1OC 7736705 HFPQATKWAMHWFV-UHFFFAOYSA-N 369.417 3.927 0 40 FHAB COc1cccc([C@@H](CNC(=O)c2ccc(C(C)=O)s2)N2CCCC2)c1 13010719 AOKCLUXNOFFKKI-QGZVFWFLSA-N 372.490 3.526 0 40 FHAB CCc1ccccc1Nc1nc(N)nc(CN(CC)Cc2ccccc2)n1 16483161 UOYOAEHOKDDYKL-UHFFFAOYSA-N 362.481 3.782 0 40 FHAB O=C(NC1CCCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 5000679 RLZGVKFEKJPZON-HXUWFJFHSA-N 370.474 3.726 0 40 FHAB Nc1cc(Cl)ccc1C(=O)OCc1nc(-c2ccc(Cl)cc2)no1 14074354 VRSNHUZIQKGGDF-UHFFFAOYSA-N 364.188 3.983 0 40 FHAB O=C(Cc1ccc(Br)cc1)Nc1nnc(-c2ccco2)s1 8327914 ZLIKNXGMWZGFLS-UHFFFAOYSA-N 364.224 3.742 0 40 FHAB COc1ccc(O)c(-c2csc3nc(COc4ccccc4)nn23)c1 5526786 FDPAFHZWODXJFM-UHFFFAOYSA-N 353.403 3.751 0 40 FHAB CCC(C)(C)C1CCC(NC(=O)C[C@H](NC(N)=O)c2ccccc2)CC1 14527804 QRYVMUBLYPNJDC-ABHNRTSZSA-N 359.514 3.897 0 40 FHAB CN(C)[C@H](CNC(=O)CCC(=O)c1ccc(Cl)s1)c1cccs1 6787835 LJMAOACKOJBBCA-LLVKDONJSA-N 370.927 3.845 0 40 FHAB CCOc1ccccc1NC(=O)CSc1nc2ccc(OC)cc2[nH]1 4818087 OBHYFNZOIKCOFE-UHFFFAOYSA-N 357.435 3.701 0 40 FHAB COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 15243170 YPMJKQFGEDONPJ-UHFFFAOYSA-N 360.218 3.581 0 40 FHAB Cn1ccnc1Sc1ccc(NC(=O)c2cnc3ccccc3n2)cc1 8754655 AXKZAJFRYNRHJO-UHFFFAOYSA-N 361.430 3.767 0 40 FHAB CC[C@@H](C)n1ncc2c(C)cc(OS(=O)(=O)c3ccc(C)cc3)nc21 8754301 PZGGQGYIHLCJOO-CQSZACIVSA-N 359.451 3.787 0 40 FHAB COc1ccc(CCc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1 9355784 QXOSOMMCELVZNV-UHFFFAOYSA-N 357.410 3.723 0 40 FHAB c1ccc(CN2C[C@]3(CCN(Cc4ccsc4)C3)c3ncccc32)nc1 306132372 LGUWBIIHCZYVNQ-OAQYLSRUSA-N 362.502 3.702 0 40 FHAB Cc1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)sc1C(=O)O 37225801 KLTTUFCUCXSUQS-UHFFFAOYSA-N 366.247 3.862 0 40 FHAB C[C@H](CCSc1ccccc1)N1CCN(C(=O)c2ccccc2O)CC1 79109654 RLIOQODTZHKTNA-QGZVFWFLSA-N 370.518 3.721 0 40 FHAB CCc1ccc2cc(C(=O)OCCCn3c(=O)[nH]c4ccccc43)[nH]c2c1 89289513 BGZFHKUUONISAC-UHFFFAOYSA-N 363.417 3.620 0 40 FHAB Cc1ccccc1C(=O)N1CCC(C(=O)N(C)Cc2ccccc2)CC1 26993794 KZRVNVYBOAAWEZ-UHFFFAOYSA-N 350.462 3.506 0 40 FHAB Cc1nn(C[C@@H](C)C(=O)Nc2ccn(Cc3ccccc3)n2)c(C)c1Cl 28230202 KIUOODMCTKTSTF-CYBMUJFWSA-N 371.872 3.673 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408706612 ANGOXXUJISTDPK-UTKZUKDTSA-N 364.489 3.630 0 40 FHAB C[C@@]1(C(=O)N[C@H](c2ccccc2)C(F)(F)F)Cc2ccccc2C(=O)O1 79181639 GGKPPALFXPTABP-QAPCUYQASA-N 363.335 3.578 0 40 FHAB COc1ccc([C@@H](C)NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1 36613909 JXOKRPGRLKLIGX-LLVKDONJSA-N 351.406 3.908 0 40 FHAB Cc1cc(N2CCCCC2)nc2sc3c(NCCN(C)C)ncnc3c12 71283588 FEXUATTUHSMPMV-UHFFFAOYSA-N 370.526 3.512 0 40 FHAB Nc1nnc(-c2ccc(OCc3ccccc3F)c(Br)c2)o1 216816418 BKWLKIZBILPVMI-UHFFFAOYSA-N 364.174 3.799 0 40 FHAB Cc1ccc(CS(=O)(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 223125149 OQERXSKMEQWHRK-UHFFFAOYSA-N 359.476 3.764 0 40 FHAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2ccc(CN3CCCC3)cc2)c1 44872546 HGPJMGVOPBSBRA-IBGZPJMESA-N 366.505 3.983 0 40 FHAB COc1ccc(Br)cc1C(=O)Nc1cccc([C@H](C)O)c1 226274422 UOIUDLLVKTWWNY-JTQLQIEISA-N 350.212 3.763 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1 223846141 RNYZVYBDVSHFMA-KRWDZBQOSA-N 370.468 3.702 0 40 FHAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 223117719 GNXYNFTZKPZOOH-KRWDZBQOSA-N 353.462 3.836 0 40 FHAB COc1ccc(NC(=S)NCCCc2ccc(OC(C)C)cc2)cn1 225570218 RIBMYJOJTKQBKT-UHFFFAOYSA-N 359.495 3.797 0 40 FHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCOc1cc(C)ccc1C 224011826 CCJMLCJSDPNRRL-IBGZPJMESA-N 357.450 3.665 0 40 FHAB CC(C)NC(=O)c1ccccc1NC(=O)CSCc1ccccc1F 222700596 STVMBSHZMPQTRQ-UHFFFAOYSA-N 360.454 3.836 0 40 FHAB O=C(O)C[C@@H]1CCN(C2CCCCC2)C[C@@H]1Cc1nc2ccccc2[nH]1 514290111 TWPNGPZIWWUXSA-HOTGVXAUSA-N 355.482 3.851 0 40 FHAB biogenic,in-vitro O=C(/C=C/c1ccccc1)NC[C@@](O)(c1ccsc1)c1cccs1 239578976 DCVCCAVUIOPEGE-LJQANCHMSA-N 355.484 3.875 0 40 FHAB COC[C@H]1COCCC12CCN(C(=O)c1cc3ccccc3s1)CC2 96106377 NJMZBGAEWMNLNA-INIZCTEOSA-N 359.491 3.807 0 40 FHAB Cc1ccc(N(C(=O)NC(C)C)[C@@H](C)c2nnc3n2CCCCC3)cc1 94992708 VRMRYXOBRKWHNA-INIZCTEOSA-N 355.486 3.999 0 40 FHAB COc1ccc(CN2C[C@@H]3CCC[C@@](O)(c4ccccc4OC)[C@H]3C2)cc1 247877555 HPMXDWWNRHTGIO-AVCGJXAMSA-N 367.489 3.824 0 40 FHAB CCn1ccnc1C(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 585085541 QDLZUNHNJAEMSF-CQSZACIVSA-N 370.453 3.973 0 40 FHAB O=C(Nc1cccc2ncccc12)c1cnc(O[C@@H]2CCOC2)c(Cl)c1 253472073 IOQFORKPZZPRTC-CYBMUJFWSA-N 369.808 3.703 0 40 FHAB c1cn(-c2cncc([C@@H]3CCCN(Cc4ccc5[nH]ccc5c4)C3)n2)cn1 585169382 JCBRASZYTZHKHC-GOSISDBHSA-N 358.449 3.523 0 40 FHAB O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2)[C@H]1CC=CCC1 75170409 BFCXWQAXAPJLIX-DOTOQJQBSA-N 354.450 3.759 0 40 FHAB Nc1ccn2nc(-c3ccc(Br)cc3)c(Br)c2n1 5579565 LZNCNQUQDYENMA-UHFFFAOYSA-N 368.032 3.504 0 40 FHAB Cc1ccc(OCC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)c(C)c1 11082907 NJVDYKXHTXRTRX-UHFFFAOYSA-N 363.461 3.586 0 40 FHAB O=C(Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1)N1CCCC1 11865888 YKHLFNVLECXPNI-UHFFFAOYSA-N 356.369 3.874 0 40 FHAB Cc1cc(NC(=O)CSc2nc(C(C)(C)C)n[nH]2)ccc1N1CCCC1 12106289 FXGOIZMJOJQADW-UHFFFAOYSA-N 373.526 3.742 0 40 FHAB O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(NC(=O)C2CC2)cc1 12623560 JMQVUDOGFKBILA-UHFFFAOYSA-N 362.351 3.984 0 40 FHAB Cc1ccccc1C(=O)NCCC(=O)Nc1cccc(C(F)(F)F)c1 12789087 UJRPUHQNLYGRTD-UHFFFAOYSA-N 350.340 3.772 0 40 FHAB Cc1cccc(NC(=O)[C@@H](C)Sc2nc3c4ccccc4ncn3n2)c1 12863302 HHYJVQNQAGHOKO-CYBMUJFWSA-N 363.446 3.705 0 40 FHAB CC[C@@H](C(=O)Nc1cccc(Cl)c1)N(c1ccccc1)S(C)(=O)=O 13711041 RLNSGDLOCBUYRC-INIZCTEOSA-N 366.870 3.523 0 40 FHAB O=S(=O)(Nc1ccn(Cc2cccc3ccccc23)n1)c1ccccc1 14236042 BACXJONOVYJWGX-UHFFFAOYSA-N 363.442 3.885 0 40 FHAB CC(C)c1nc2ccc(NC(=O)CN(C)Cc3ccccn3)cc2s1 19453847 QUDXYVXKPCBMLW-UHFFFAOYSA-N 354.479 3.885 0 40 FHAB C[C@H](CCC(=O)N1CCC[C@H](COc2ccc(F)cc2)C1)N1CCCC1 19455570 PKNNMMVNPNQCHV-MSOLQXFVSA-N 362.489 3.708 0 40 FHAB CC(C)CNC(=O)c1cc([C@H]2CCN(C(=O)C(C)C)C2)nc2ccccc12 19761616 NNNDZRMLZARFLJ-INIZCTEOSA-N 367.493 3.593 0 40 FHAB Cc1cc(C)cc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 19947185 VPFCXWTXPKUZGK-UHFFFAOYSA-N 374.506 3.832 0 40 FHAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 169682327 AHRHOXMJGPWESI-CHLMMMEMSA-N 367.754 3.916 0 40 FHAB O=C(c1cnccn1)N1CCCCC[C@H]1c1cc(-c2cccs2)on1 12185393 ZDRSUSDOXNSTDM-HNNXBMFYSA-N 354.435 3.951 0 40 FHAB COCCOc1ccc(C(=O)NCc2cccnc2-c2ccsc2)cc1 225646271 FVSKKPKVRZWFND-UHFFFAOYSA-N 368.458 3.765 0 40 FHAB CCOc1ccc(NC(=O)[C@@H]2CCCC(=O)N2Cc2ccc(F)cc2)cc1 2298103459 WDMYOQIAEDIEFL-IBGZPJMESA-N 370.424 3.744 0 40 FHAB C[C@H](NC(=O)Nc1ccc(I)cc1)c1ccncc1 40096931 NTFOXAJWXDUVRQ-JTQLQIEISA-N 367.190 3.569 0 40 FHAB O=C(O)c1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cc(F)ccc2F)cc1 40284082 WFPUYZDCTCYPOB-CYBMUJFWSA-N 369.327 3.972 0 40 FHAB Cc1cc(Cl)ccc1NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 11080722 FFXXZZLNYCYRKC-ZDUSSCGKSA-N 357.841 3.824 0 40 FHAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)OCc1ccc(Cl)cc1 11284949 ADNOKCRPMADXHS-UHFFFAOYSA-N 356.809 3.643 0 40 FHAB COc1ccc(Cl)c(NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)c1 68381270 XQSNPPRVVYAEIS-UHFFFAOYSA-N 374.245 3.658 0 40 FHAB CCCCCNCc1ccc(OCC(=O)NC(C)(C)C)c(OCC)c1 7261295 FNNXQIUGELOBNI-UHFFFAOYSA-N 350.503 3.659 0 40 FHAB Cc1cc2oc(=O)cc(CN(C)CC(=O)Nc3ccc(F)cc3)c2cc1C 8121049 ZTSNOIVQEAWRIW-UHFFFAOYSA-N 368.408 3.619 0 40 FHAB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2C)cc1 8412552 AXFRSDDSBMTLNT-UHFFFAOYSA-N 368.433 3.594 0 40 FHAB O=C(NCCSCc1ccccc1)c1ccc(CN2CCCC2)cc1 10369111 FYDWVONMDGUNNW-UHFFFAOYSA-N 354.519 3.946 0 40 FHAB O=C(Oc1ccccc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1cccs1 101913257 HWJPBRYHYUUGAH-CHWSQXEVSA-N 355.415 3.647 0 40 FHAB Cc1nc(CC(=O)O[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cs1 21231866 UWXFRQLZSPXHEU-VIFPVBQESA-N 372.368 3.583 0 40 FHAB CC(=O)c1cc(CCC(=O)Nc2nc(-c3cccnc3)cs2)oc1C 32784673 LKCYVBCNSNNTJR-UHFFFAOYSA-N 355.419 3.880 0 40 FHAB COc1ccc2nc(C(=O)Nc3cc(OC)c(OC)cc3C)ccc2c1 32865861 MSOBRWMKHVHOKD-UHFFFAOYSA-N 352.390 3.821 0 40 FHAB Cc1ccc(C)c(N2CCN([C@@H](c3nnnn3C(C)(C)C)C(C)C)CC2)c1 57669710 HVVCJGDXGSMKSX-LJQANCHMSA-N 370.545 3.564 0 40 FHAB Cc1cc(NC(=O)CCn2cnc3ccccc32)ccc1N1CCCC1=O 29986763 UCTNIUDBKHAIRR-UHFFFAOYSA-N 362.433 3.500 0 40 FHAB COc1cc(C(=O)NC2C3CC4CC(C3)CC2C4)ccc1OC(F)F 2793104 PHZQBNQSDSKWSH-UHFFFAOYSA-N 351.393 3.851 0 40 FHAB CCC(=O)NC[C@@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 23599874 WEQGGUFGAVVRJA-KRWDZBQOSA-N 352.434 3.843 0 40 FHAB CC(C)c1ccc(NC(=O)CNc2ccccc2N2CCCC2=O)cc1 12516825 FJNXJOLJOMDZRK-UHFFFAOYSA-N 351.450 3.987 0 40 FHAB Cc1cc(C)cc(OCCN(C)C(=O)c2cccc(N3CCCC3=O)c2)c1 24188428 GGOFOCLGCAFAHS-UHFFFAOYSA-N 366.461 3.581 0 40 FHAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cccc(NC(N)=O)c2)cc1 24392839 MMCCWPJFADVVMT-IBGZPJMESA-N 367.449 3.943 0 40 FHAB C[C@H](Sc1nncs1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 55016204 PFOXECYLTQSXHL-TVQRCGJNSA-N 353.900 3.940 0 40 FHAB Cc1nc(-c2cc(C)n(CC(=O)NCc3ccccc3F)c2C)cs1 24924820 PMMOLYDCHCXRNY-UHFFFAOYSA-N 357.454 3.992 0 40 FHAB CC(C)N1CCN(C(=O)c2ccc(SCc3cccnc3)cc2)CC1 47841138 ZNNIRTFCWWMGAQ-UHFFFAOYSA-N 355.507 3.540 0 40 FHAB Fc1ccc(-c2noc(CSc3nnc(C4CC4)n3C3CC3)n2)cc1 8075681 DHGHQJIQFIULKF-UHFFFAOYSA-N 357.414 3.972 0 40 FHAB Cc1nc(NC(=O)[C@@H](C)OC(=O)c2cc(C)n(C3CC3)c2C)sc1C 26706376 NVVBZXORJPQKTE-GFCCVEGCSA-N 361.467 3.697 0 40 FHAB CCOc1ccccc1NC(=O)CN1CCN(c2ccc(C)cc2)[C@H](C)C1 35889602 CWIVSDGFRCCJNU-GOSISDBHSA-N 367.493 3.543 0 40 FHAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)[C@@H]1COc2ccccc2O1 12603017 BIWKOHNBUCXSPH-IBGZPJMESA-N 363.417 3.541 0 40 FHAB CCOC(=O)c1oc2ccccc2c1COC(=O)[C@H]1Cc2ccccc2O1 27419853 LWXVWVXZHBIMBQ-GOSISDBHSA-N 366.369 3.656 0 40 FHAB COc1ccccc1NC(=O)Cc1noc(CSc2ccc(F)cc2)n1 16514064 GBGPXQZTEUHYHD-UHFFFAOYSA-N 373.409 3.691 0 40 FHAB CN(C)CCNC(=O)c1cc2sccc2n1Cc1ccc(Cl)cc1 44900556 QHXUSBJOFMWART-UHFFFAOYSA-N 361.898 3.696 0 40 FHAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc2c(c1)NC(=O)CS2 68930269 MCLDYMFQIRXVPS-KRWDZBQOSA-N 369.490 3.827 0 40 FHAB C[C@H](c1ccc(F)cc1)N(C)C(=O)COc1ccc2ccc(=O)oc2c1 10608791 HZJBJDNVHVKRPW-CYBMUJFWSA-N 355.365 3.531 0 40 FHAB CCCCc1nc2sc3c(NCCO)ncnc3c2c2c1CCCC2 2314334 UZKQVFYQYAWOCX-UHFFFAOYSA-N 356.495 3.865 0 40 FHAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1cccc(-c2cnco2)c1 48205196 DYXLIQKQNBVMST-QGZVFWFLSA-N 369.446 3.796 0 40 FHAB C[C@H]1CCc2c(sc3nc(SCCO)n(C4CCCC4)c(=O)c23)C1 12811207 AIWXQMHFGLHCLJ-NSHDSACASA-N 364.536 3.782 0 40 FHAB CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)c1ccccc1 12876121 VJECWCATGAVYCD-VQIMIIECSA-N 354.450 3.815 0 40 FHAB Cc1ccc(NC(=O)c2ccc[nH]c2=S)cc1I 12943704 ZWWGZWITJCJYIM-UHFFFAOYSA-N 370.215 3.910 0 40 FHAB Cc1ccc(CNC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 12994284 FKYSRECTTCBXIY-UHFFFAOYSA-N 351.450 3.555 0 40 FHAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N1CCN(c2ccccc2)CC1 113970324 VDOHALUTAURLAI-FQEVSTJZSA-N 352.478 3.810 0 40 FHAB COc1ccc(CNC(=O)c2cc(F)ccc2Br)cc1OC 8134321 JUKUFDNGMGDDRS-UHFFFAOYSA-N 368.202 3.535 0 40 FHAB O=C(CN1CCCCC1)Nc1cc(C(F)(F)F)ccc1-n1cccc1 4054754 PTTILVHOQSTCCM-UHFFFAOYSA-N 351.372 3.921 0 40 FHAB CCN(Cc1ccc(OC)c(F)c1)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 8214211 TXOXQKBGBSAXJC-CQSZACIVSA-N 372.440 3.886 0 40 FHAB Cc1nnc2n1-c1ccc(Br)cc1C(c1ccccc1)=NC2 39247036 KCEIOBKDDQAYCM-UHFFFAOYSA-N 353.223 3.689 0 40 FHAB in-vitro CCOc1ccc(-c2nnc3sc(Cc4ccc(OC)cc4)nn23)cc1 13730467 ZDMCAJRUQDOJOT-UHFFFAOYSA-N 366.446 3.851 0 40 FHAB C[C@H](Sc1nncs1)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 65517917 RDESRWMAVIHEMY-LBPRGKRZSA-N 369.471 3.888 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1ccc2c(C)cc(=O)oc2c1 14109578 CGQHZMAHZLBARN-CQSZACIVSA-N 367.401 3.824 0 40 FHAB O=C(NCCc1ccc(-n2cccn2)cc1)c1cccnc1SC(F)F 14160247 MEOAZFRZVXTODZ-UHFFFAOYSA-N 374.416 3.555 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1ccc(F)c(F)c1 22429802 KGFWGUOBCVAQNK-UHFFFAOYSA-N 369.751 3.731 0 40 FHAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1ccc(O)nc1 14248261 AICSAGPILQIZGN-UHFFFAOYSA-N 351.387 3.587 0 40 FHAB C[C@H]1C[C@H](c2ccccc2)n2ncnc2N1C(=O)c1ccc(Cl)cc1 4732636 QBXNJYRBMRKTSH-SUMWQHHRSA-N 352.825 3.960 0 40 FHAB CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3cccs3)n2)cc1 8708630 AUNGIDFSHXDXMT-UHFFFAOYSA-N 371.487 3.689 0 40 FHAB Cc1cc(NC(=O)C2CC2)sc1C(=O)NCC(C)(C)c1ccncc1 91859995 XTYPKDZNXOMOQF-UHFFFAOYSA-N 357.479 3.508 0 40 FHAB CC(=O)c1ccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 8772627 XTXAQAKETBMHCY-UHFFFAOYSA-N 363.417 3.886 0 40 FHAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1Cl 7377652 XVXOUEURWDTEIB-SECBINFHSA-N 352.681 3.666 0 40 FHAB Cc1ccc([C@@H](CNC(=O)COc2cccc(C)c2C)N2CCCC2)o1 15860253 JMOFIIZPZZTLFV-GOSISDBHSA-N 356.466 3.537 0 40 FHAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 7552572 WCNFYMYIMYRHCH-AWEZNQCLSA-N 355.221 3.669 0 40 FHAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)N1c2ccccc2C[C@H]1C 8704080 FLCJQYXLXLCOBR-GHMZBOCLSA-N 360.508 3.571 0 40 FHAB COc1cc(CN2CCC(=O)N(C)c3cc(F)ccc32)ccc1SC 83881756 SDEWNIAAVPKFIR-UHFFFAOYSA-N 360.454 3.929 0 40 FHAB CC(=O)NCCc1ccc(C(=O)COc2cc(Cl)ccc2Cl)s1 8943147 UCLFOILNYBZIII-UHFFFAOYSA-N 372.273 3.995 0 40 FHAB Cc1cccc(Nn2c(N)nn(CC(=O)c3cccc(Cl)c3)c2=S)c1 28535245 UXZRHSOWXCYDGH-UHFFFAOYSA-N 373.869 3.716 0 40 FHAB COc1ccccc1[C@@H](NC(=O)Nc1cccc(C)c1)c1nccn1C 9314250 FOXWAERSHFLXOM-GOSISDBHSA-N 350.422 3.648 0 40 FHAB C[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)c2ccccc21 72098112 WCSJIRVXQRJBLK-SWLSCSKDSA-N 370.371 3.690 0 40 FHAB COc1c(C)cnc(CN(C)C(=O)c2ccc(C(F)(F)F)nc2C)c1C 84258020 GIAZBYPFQWODCM-UHFFFAOYSA-N 367.371 3.701 0 40 FHAB CC[C@H](C)[C@@H]1CCCCN1c1ncnc2c1c(Br)nn2C 95460511 IRDALKRAZCSZAF-QWRGUYRKSA-N 352.280 3.531 0 40 FHAB C[C@H]1CN(c2ccc(Nc3nccc(C(F)(F)F)n3)cc2)C[C@@H](C)O1 84713554 FECPBYSBMQGLPI-TXEJJXNPSA-N 352.360 3.853 0 40 FHAB Cc1ccc(NC(=O)CCCn2cnc3ccccc3c2=O)c2cccnc12 22902639 JODNWKMOUPXNGH-UHFFFAOYSA-N 372.428 3.672 0 40 FHAB Cc1cc2nc3s/c(=C\c4cccn4-c4ccccc4)c(=O)n3c2cc1C 408846746 KTXMXNSLJPXYRC-MOSHPQCFSA-N 371.465 3.864 0 40 FHAB COc1ccccc1COC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl 66058051 MDBPJVUILCYNDS-UHFFFAOYSA-N 371.824 3.903 0 40 FHAB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCC[C@H]1C 409003831 VHYJRZFVRHQZSF-DKSSEZFCSA-N 371.481 3.520 0 40 FHAB O=C(Nc1ccccc1-c1ccccc1)C1CCN(c2cnccn2)CC1 35288575 QJFPFHPFECUCBG-UHFFFAOYSA-N 358.445 3.999 0 40 FHAB CCc1nccn1-c1nccnc1[C@H]1CCCN(Cc2ccc(F)cc2)C1 72350507 KILBUPKPLHTYPZ-KRWDZBQOSA-N 365.456 3.743 0 40 FHAB O=C(OCc1nc(-c2ccccc2)no1)c1cnc(Cl)c(Cl)c1 6643418 JPAXMWDAQGCANC-UHFFFAOYSA-N 350.161 3.795 0 40 FHAB O=C1c2ccccc2NC2(CCSCC2)N1Cc1ccc2c(c1)OCO2 61385768 VAGFESWYDMCBQP-UHFFFAOYSA-N 368.458 3.707 0 40 FHAB COc1cccc(CCCNC(=O)COc2cccc(C(F)(F)F)c2)c1 225813282 JQHJINQNWIQDKR-UHFFFAOYSA-N 367.367 3.842 0 40 FHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCOc1ccc(F)cc1 225189980 PPXPQUYFZIBNMD-HNNXBMFYSA-N 357.425 3.667 0 40 FHAB CCCc1nc(-n2cccc2)sc1C(=O)Nc1nnc(C2CC2)s1 49549194 MRVQYCSKXCHCDX-UHFFFAOYSA-N 359.480 3.868 0 40 FHAB CCn1c([C@H]2CCCN2C(=O)[C@@H]2CCc3cccnc32)nc2ccccc21 329347357 CKKVVVMJKSTKMJ-VQIMIIECSA-N 360.461 3.845 0 40 FHAB Cc1cccnc1NC(=S)NCc1nc(-c2ccccc2Cl)no1 225819921 DGQLSFPCQUCHLZ-UHFFFAOYSA-N 359.842 3.580 0 40 FHAB CCOc1ccccc1N(CC)S(=O)(=O)c1ccc(OC)c(Cl)c1 224952037 UYIISACWMILNQX-UHFFFAOYSA-N 369.870 3.963 0 40 FHAB CCOc1ccc(-c2nc([C@H](N)c3ccc(Cl)cc3)n[nH]2)cc1OC 95534060 FDURKLWBWFNUJN-MRXNPFEDSA-N 358.829 3.581 0 40 FHAB O=C(c1cnnn1Cc1ccccc1)N1CCCC[C@@H]1Cc1ccccc1 581273293 ZUGSBWYFJMXWCR-HXUWFJFHSA-N 360.461 3.564 0 40 FHAB COc1ccc(CN2CC[C@]3(C2)C(=O)N(CC(C)C)c2ccccc23)cc1 96100310 ADOMXWOMWOQKJY-HSZRJFAPSA-N 364.489 3.842 0 40 FHAB Cc1cnc([C@H]2CCCN(C(=O)Cn3c(C)nc4ccccc43)C2)s1 257275549 NPVWXMVGTAHSEJ-HNNXBMFYSA-N 354.479 3.516 0 40 FHAB CCc1cc(N2CCOc3cc(OC)ccc3C2)nc(-c2ccncc2)n1 585080325 KRACMANNZHJVCT-UHFFFAOYSA-N 362.433 3.509 0 40 FHAB Cc1ccnc(NC(=O)CCCOc2ccc(-c3cnn(C)c3)cc2)c1 252483442 FBSBEUXFLWTCRQ-UHFFFAOYSA-N 350.422 3.588 0 40 FHAB Cc1ccc2[nH]c(C)c(CC(=O)N3CC[C@]4(C)NCCCCC[C@H]34)c2c1 257245925 IRRUDNSIHUZPTN-UNMCSNQZSA-N 353.510 3.850 0 40 FHAB CCn1c([C@H]2CCCN2C(=O)c2ccnc(C3CC3)n2)nc2ccccc21 601652296 GOBSIZUMQYQEKY-GOSISDBHSA-N 361.449 3.701 0 40 FHAB COc1ccc2c(c1)OC[C@@H](NC(=O)N1CCC[C@H]1c1ccsc1)C2 678116633 IPNIQYWLJZSXJF-RDJZCZTQSA-N 358.463 3.607 0 40 FHAB COc1c(C)cnc(CN(C)C(=O)Nc2cccc3cccnc23)c1C 58514398 KFBPCPDTCVEEMD-UHFFFAOYSA-N 350.422 3.919 0 40 FHAB O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)c1snc(O)c1Cl 579306691 ZPODWXBPOQKHRG-SECBINFHSA-N 364.776 3.653 0 40 FHAB CN1CCC(CNc2cnc3cc(F)c(F)cc3n2)(c2ccccc2)CC1 1307178409 ZXDYCBXJXOXGFG-UHFFFAOYSA-N 368.431 3.984 0 40 FHAB CC(=O)Nc1cc2c(cn1)COc1cc(OC[C@@](C)(N)CC(C)C)ccc1-2 205986783 OQMXEZIHZRSBOY-NRFANRHFSA-N 369.465 3.742 0 40 FHAB Cc1nccn1C[C@H](O)COc1ccc2ccccc2c1Br 5612983 SOLZJAGDTRPVDG-AWEZNQCLSA-N 361.239 3.547 0 40 FHAB COc1ccc(C(=O)Nc2cc(C)cn(Cc3ccc(F)cc3)c2=O)cc1 5000862 HRBZINXDMBPYRF-UHFFFAOYSA-N 366.392 3.605 0 40 FHAB CCc1cccc(CC)c1NC(=O)COC(=O)c1cc(OC)ccc1OC 5253016 RVGSJETUZRUOGI-UHFFFAOYSA-N 371.433 3.624 0 40 FHAB C[C@@H](C(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1)c1ccccc1 12220853 STAUYBDMTVHJSS-OAHLLOKOSA-N 362.433 3.641 0 40 FHAB CC1CCN(C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C2CCCC2)CC1 12291635 YMEVBUCKZCOLIR-QFIPXVFZSA-N 370.537 3.921 0 40 FHAB Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1 12293454 GHBIVWOYBSZXEM-UXHICEINSA-N 371.452 3.518 0 40 FHAB CCOc1cc(/C=C2/SC(=O)NC2=O)ccc1OC(=O)c1ccccc1 15011576 JVWCVVDIUOCPDT-LFIBNONCSA-N 369.398 3.628 0 40 FHAB CCCC(=O)NC(=S)Nc1ccc2nc(NC(=O)CCC)sc2c1 17074973 GDWYCWASTPDWRX-UHFFFAOYSA-N 364.496 3.648 0 40 FHAB Cc1ccc([C@H](NC(=O)c2ccnc(N(C)C)c2)c2ccncc2)cc1C 19213621 YHPOCTGWNZBJJM-OAQYLSRUSA-N 360.461 3.679 0 40 FHAB Cc1cnc2cc(C3CCN(Cc4c[nH]nc4C(C)(C)C)CC3)[nH]c2n1 19239387 LJBUIJOYXBWXME-UHFFFAOYSA-N 352.486 3.667 0 40 FHAB Cc1c(-c2cc(C(=O)N[C@@H](c3ccc(F)cc3)C(C)C)no2)cnn1C 19554085 YMKOZHDXTLVFGR-GOSISDBHSA-N 356.401 3.650 0 40 FHAB COc1cc(C(=O)N2[C@H](c3ccccc3)CC[C@@H]2C(=O)O)ccc1Cl 621589153 PCPBASRPCPCVDZ-JKSUJKDBSA-N 359.809 3.779 0 40 FHAB COc1cccc(CNC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c1 4406690 GBPDYPGOIZEJEW-UHFFFAOYSA-N 361.854 3.633 0 40 FHAB CCOc1ccccc1OS(=O)(=O)c1ccccc1Br 16094077 OIAAGYYZCLOZBC-UHFFFAOYSA-N 357.225 3.616 0 40 FHAB COc1cc(Br)c(CC(=O)Oc2ccc(F)cc2)cc1OC 26360449 VCNHKNOYYMSGNK-UHFFFAOYSA-N 369.186 3.754 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)[C@H]2CCCC[C@@H]2C)c(Br)c1 28043934 XJZCYVOAZZDUTI-JSGCOSHPSA-N 360.317 3.957 0 40 FHAB Cc1cc(Nc2ncc(C)s2)nc([C@H]2CCN(C(=O)C3CCCC3)C2)n1 2037836216 ULMSGHYNCHOKJW-HNNXBMFYSA-N 371.510 3.800 0 40 FHAB Cc1ccc(CN2C(=O)CC[C@]23CCCN(Cc2ccncc2)CC3)cc1 1615102024 KPNIZORVLAEIBW-QHCPKHFHSA-N 363.505 3.937 0 40 FHAB Cc1ccc(NC(=O)c2cccn(OCc3ccccc3)c2=O)cc1Cl 5054866 XGSCTSCGTGQAEJ-UHFFFAOYSA-N 368.820 3.691 0 40 FHAB CCOc1ccc(CC(=O)NCC2CCN(Cc3cccs3)CC2)cc1 23016884 FAWWQYZUNYECHJ-UHFFFAOYSA-N 372.534 3.718 0 40 FHAB CCC1=C(C(=O)OC)[C@@H](c2ccc(Cl)cc2)n2nc(SC)nc2N1 6851013 IANCPVXCJNRCGG-CYBMUJFWSA-N 364.858 3.505 0 40 FHAB O=C(O)c1ccc(Cl)c(S(=O)(=O)Oc2cccc3ccccc23)c1 13342151 RKPATYXSJQLXGV-UHFFFAOYSA-N 362.790 3.959 0 40 FHAB CCN(Cc1ccc(OC)c(F)c1)Cc1csc(-c2cnn(C)c2)n1 40149675 QZJGUTXSGBPKHH-UHFFFAOYSA-N 360.458 3.713 0 40 FHAB Cc1cc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)no1 36441049 VMRPTRQULOGINF-QGZVFWFLSA-N 359.476 3.692 0 40 FHAB CCc1ccccc1NC(=O)CCC(=O)Nc1nnc(CC(C)C)s1 2426326 OOCGPLRIQGAVJA-UHFFFAOYSA-N 360.483 3.656 0 40 FHAB COCc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)oc2ccccc12 45670341 JOVKJNXAESFBRQ-UHFFFAOYSA-N 368.408 3.681 0 40 FHAB CCCCOc1ccc(C(=O)OCC(=O)Nc2cccc(OC)c2)cc1 3290861 BZEGUDOIIKOYLP-UHFFFAOYSA-N 357.406 3.670 0 40 FHAB CC(C)(C)c1c2c(nn1S(=O)(=O)c1ccccc1)-c1ccccc1C2=O 2543429 CWYQTCFJEYHYHL-UHFFFAOYSA-N 366.442 3.629 0 40 FHAB Cc1ccc(NC(=O)Cc2nc(-c3ccc4[nH]c(=O)oc4c3)cs2)cc1 20677582 YOYVMSMJXKXJAB-UHFFFAOYSA-N 365.414 3.734 0 40 FHAB CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc3c(c2)OCO3)c1 6319427 NQJOEPUIXVTRQV-LLVKDONJSA-N 372.446 3.761 0 40 FHAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)cc1Cl 20745662 TXYDTMASCONOSZ-KDOFPFPSSA-N 358.825 3.507 0 40 FHAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(C3CC3)nc3ccccc23)C1 20902572 WGVHJQXCLBSESO-OAHLLOKOSA-N 352.434 3.528 0 40 FHAB CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCO[C@H](c2ccc(F)cc2)C1 46059169 HZDKZCLKEGPETD-UTKZUKDTSA-N 370.468 3.636 0 40 FHAB CC[C@H](C)NC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1 32579048 DTGAXXQHROGINS-AWEZNQCLSA-N 351.406 3.697 0 40 FHAB Cc1ccc(-c2csc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)n2)c(C)c1 102180276 JOTQGCJYZQDHRF-CLROSIBMSA-N 368.458 3.888 0 40 FHAB Cc1ccccc1OCCC(=O)N1CCN(c2ccccc2Cl)CC1 2636170 SGNBBURSOCKINB-UHFFFAOYSA-N 358.869 3.766 0 40 FHAB O=C(NC[C@@H]1COc2ccccc2C1)c1ccc(OC(F)(F)F)cc1 32744641 JRQYUHYSRBABNG-GFCCVEGCSA-N 351.324 3.566 0 40 FHAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)c1cn[nH]c(=O)c1Cl 32806388 IMJPHTLFSNCAKA-UHFFFAOYSA-N 350.205 3.973 0 40 FHAB Cc1ccc(C(=O)O[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)o1 32869143 GZKQSVMEGQOAPU-ZDUSSCGKSA-N 362.451 3.956 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=O)COc2cccc(Cl)c2)c1 26199051 OPYZRWSBZQTRIO-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB CCN(CC)[C@H](CNC(=O)COc1ccccc1)c1ccccc1Cl 11917253 QVNDIEQNLAHUFD-LJQANCHMSA-N 360.885 3.918 0 40 FHAB CC(=O)Nc1ccc(NCC(=O)Nc2ccc(F)cc2)c(C(F)(F)F)c1 29902644 NNNSOFAWUMUPRO-UHFFFAOYSA-N 369.318 3.854 0 40 FHAB CC(=O)OC[C@@]12CO[C@@H](c3ccc4c(c3)OCO4)[C@H](C(C)=C[C@H]1C)[C@@H]2C 100742980 OTAZKNLOTKUEQR-QBMNRHOTSA-N 358.434 3.884 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(N2CCCC2=O)cc1 20105590 WMJIXUBJFBCVIC-LJQANCHMSA-N 368.433 3.618 0 40 FHAB COc1cccc(Nc2nnc(SCc3ncc(Cl)n3C)s2)c1 18032389 QRPAPYKVQRBJFU-UHFFFAOYSA-N 367.887 3.970 0 40 FHAB CC[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(OC)cc1 18091390 HUQXGYXFFZLYFD-IBGZPJMESA-N 352.434 3.703 0 40 FHAB Cc1ccc(-c2nc(-c3cccc(OCC(=O)NC(C)C)c3)no2)cc1 33327257 DJBANGBWNUITOW-UHFFFAOYSA-N 351.406 3.615 0 40 FHAB Cc1c(F)cccc1CN1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 108531831 BMRQTRNRPIWTRB-SFHVURJKSA-N 370.472 3.550 0 40 FHAB COc1cc(C(=O)OCC(=O)c2cccc3ccccc23)cc(OC)c1O 2707935 JPTZUXWLIHDXQC-UHFFFAOYSA-N 366.369 3.602 0 40 FHAB Cc1cc(NC(=O)COc2ccccc2F)ccc1-c1ccc(CO)o1 20144623 GCMBBMWVGHCHQP-UHFFFAOYSA-N 355.365 3.904 0 40 FHAB Cc1n[nH]c(C(=O)N(C)Cc2csc3ccccc23)c1Br 53810813 ICDKNYJGVKEETC-UHFFFAOYSA-N 364.268 3.968 0 40 FHAB Cc1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(C)n1C1CC1 23702025 ZLZHUCZFKLWKOW-RMKNXTFCSA-N 363.505 3.911 0 40 FHAB NC(=O)COc1ccc(/C=C(/c2nc3ccccc3[nH]2)C(F)(F)F)cc1 59488911 MHZNZSFVHXPUAI-LCYFTJDESA-N 361.323 3.530 0 40 FHAB Cc1cccc(N2C(=O)C[C@H](Nc3ccc(Br)cc3)C2=O)c1C 101079576 GFHLCLCLNGXIFC-HNNXBMFYSA-N 373.250 3.810 0 40 FHAB CC(=O)c1c[nH]c(C(=O)/N=c2/sccn2Cc2ccccc2Cl)c1 102886320 MFNZGEOXWCRRMO-LVZFUZTISA-N 359.838 3.523 0 40 FHAB CC(C)(C)OC(=O)NC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 47533354 ODSKJZLAGNCBFQ-UHFFFAOYSA-N 362.514 3.719 0 40 FHAB CC[C@@H](C(=O)Nc1nn2c(-c3ccco3)nnc2s1)c1ccccc1 20902151 JXZAXTWCEXQFCJ-GFCCVEGCSA-N 353.407 3.578 0 40 FHAB CC(C)C(=O)Nc1nc(CC(=O)N2CCC[C@@H]2C2CCCCC2)cs1 55600730 FLCCNPOGIBZTNL-MRXNPFEDSA-N 363.527 3.851 0 40 FHAB O[C@H](CO[C@H]1CCCc2ccccc21)Cn1cnc2cc(F)c(F)cc21 43650448 IFFIYJABSKZSLA-XOBRGWDASA-N 358.388 3.770 0 40 FHAB O=C(Cc1c(Cl)cccc1Cl)N1CCN(Cc2ccccc2)CC1 25540932 FGQVOBUHXGALDU-UHFFFAOYSA-N 363.288 3.880 0 40 FHAB COCc1ccccc1CNC(=O)NCc1cccc(C(F)(F)F)c1 26145139 MGPDKAHFQMTLMK-UHFFFAOYSA-N 352.356 3.851 0 40 FHAB CN(C)C(=O)C[C@@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1ccccc1 57298625 LUMDBYQHFZWYAX-MRXNPFEDSA-N 369.852 3.771 0 40 FHAB COc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1OC 12556276 AUYSGCNAVRPHBZ-UHFFFAOYSA-N 373.409 3.943 0 40 FHAB Cc1cccc(OCC(=O)Nc2nc(CN3CCC(C)CC3)cs2)c1 36074812 VBHSJJNWCWFXTE-UHFFFAOYSA-N 359.495 3.701 0 40 FHAB Cc1ccc(NC(=O)COC(=O)CCc2nc3ccccc3s2)cc1 3244084 JTBZPXFLKXTVDL-UHFFFAOYSA-N 354.431 3.719 0 40 FHAB Cc1ccc(OCC(=O)Nc2cccc(CN3CCSCC3)c2)cc1C 58280803 DROIXBGGLSXIJB-UHFFFAOYSA-N 370.518 3.870 0 40 FHAB CCOc1ccc([C@@H]2C[C@H](c3ccc(OC)cc3)Nc3ncnn32)cc1 2220697 KGHSQIYQIKCVPT-MOPGFXCFSA-N 350.422 3.832 0 40 FHAB C[C@@H](NC(=O)COC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 3396320 LFUSQKMYXVDEDN-GFCCVEGCSA-N 366.244 3.957 0 40 FHAB O=C(CCCc1nc2ccccc2s1)NC[C@@H]1COc2ccccc2O1 12762649 ALUOLHYCZWIONO-CQSZACIVSA-N 368.458 3.575 0 40 FHAB CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nnnn2C2CCCCC2)cc1 12895842 NWQJOKUXHZUWFB-LBPRGKRZSA-N 373.482 3.500 0 40 FHAB O=C(COC(=O)Cc1c(F)cccc1Cl)NCCC1=CCCCC1 3428539 VXEHKEOKLFDWCX-UHFFFAOYSA-N 353.821 3.572 0 40 FHAB CCc1cccc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3OC)CC2=O)c1 12911313 GITOIXBLTGQVMA-CQSZACIVSA-N 372.852 3.903 0 40 FHAB O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1cccc(C(F)(F)F)c1 3903804 DAALAJLQDKJKDK-UHFFFAOYSA-N 359.413 3.953 0 40 FHAB Cn1c(Cl)cnc1Cc1nc(-c2ccc3c(c2)OCCCO3)cs1 63630682 RSGYZJNNTLYPBP-UHFFFAOYSA-N 361.854 3.949 0 40 FHAB CC(C)(CC(=O)O)CC(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 16478700 RXDXMMXCECPGBJ-UHFFFAOYSA-N 370.453 3.501 0 40 FHAB Cc1ccc(SCC(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc1 4053836 CCKVMXIEAQKPCM-UHFFFAOYSA-N 360.454 3.702 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)N[C@H]2CCCc3ccccc32)o1 6079029 IUKFWOIHOJKPEF-INIZCTEOSA-N 369.446 3.924 0 40 FHAB CCN(CC)CCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 4278790 ZJDRRKNLMXXMKO-LJQANCHMSA-N 353.466 3.998 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2c(C)cccc2C)C1 4385259 JUWIKCMSBGVXLN-AWEZNQCLSA-N 372.852 3.957 0 40 FHAB C[C@H]1CN(C(=S)Nc2ccc(Br)cc2Cl)C[C@@H](C)O1 13828327 DECNLPJMMKBZSJ-DTORHVGOSA-N 363.708 3.909 0 40 FHAB COc1ccc(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c(OC)c1 6230142 QWPBYJMBNNZQBL-UHFFFAOYSA-N 358.434 3.646 0 40 FHAB COc1ccc2cc(CNc3ccc4nnc(C(F)(F)F)n4n3)ccc2c1 14018371 DKMQWXQEEGUEBX-UHFFFAOYSA-N 373.338 3.917 0 40 FHAB O=C(CCCCCn1cnc2ccccc2c1=O)Nc1ccc(F)cc1 5307772 NCXQWWFAJCYGME-UHFFFAOYSA-N 353.397 3.735 0 40 FHAB O=C(CSc1ccc2c(c1)CCC2)c1c[nH]c(C(=O)N2CCCC2)c1 14167286 VQBIGWDCTLRWGV-UHFFFAOYSA-N 354.475 3.714 0 40 FHAB COc1ccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)cc1OC 14198222 FPHQYSJERKKLMD-UHFFFAOYSA-N 371.824 3.854 0 40 FHAB CC(C)CCn1c(SCC(=O)NC2CCCC2)nc2ccccc2c1=O 5491971 ABCGJAIYGJCRIN-UHFFFAOYSA-N 373.522 3.594 0 40 FHAB CCc1ccc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1 5559333 HGGLFXWDMUHURO-UHFFFAOYSA-N 353.205 3.746 0 40 FHAB CCOc1ccc2nc(S[C@H](C(=O)N(C)C)c3ccccc3)[nH]c2c1 6649705 ZJPPWQWOFSTGJD-KRWDZBQOSA-N 355.463 3.883 0 40 FHAB COc1ccc2[nH]cc(CCNC(=O)c3ccccc3Br)c2c1 4815800 DKMDJADDAXMSHJ-UHFFFAOYSA-N 373.250 3.912 0 40 FHAB biogenic Cc1ccc(NC(=O)CCn2nc(C)c(Br)c2C)c(C)c1 28238410 VSVJSDVJHYMLLJ-UHFFFAOYSA-N 350.260 3.908 0 40 FHAB Cc1cccc(-n2c(SCC(=O)C(C)(C)C)nc3ccccc3c2=O)n1 5972686 CKWMHVSQPMUEHZ-UHFFFAOYSA-N 367.474 3.796 0 40 FHAB Fc1ccc(-c2nnn3c2nc(N2CCSCC2)c2ccccc23)cc1 67262671 WWAUTGOGISZDBE-UHFFFAOYSA-N 365.437 3.637 0 40 FHAB CSc1ccc(CN(C)Cn2nc3nc(C)cc(C)n3c2=S)cc1 8748756 UDIVCYBNPCRMKV-UHFFFAOYSA-N 359.524 3.689 0 40 FHAB Cc1cc(C)n(-c2nc(C)c(Br)c(N3CCCC[C@@H]3C)n2)n1 9134345 YGPKNBAUVVAKQY-NSHDSACASA-N 364.291 3.729 0 40 FHAB Cc1ccc(-c2nnc(CCC(=O)N3CCC[C@H]3c3ccc[nH]3)o2)cc1 84174679 IGKATODSUNXTLE-KRWDZBQOSA-N 350.422 3.669 0 40 FHAB C[C@H]1CN(C(=O)CSCc2nc3ccccc3s2)c2cccnc2O1 89941255 YNJHQAXIBPSHSG-LBPRGKRZSA-N 371.487 3.739 0 40 FHAB CCCn1c(C)nnc1COC(=O)c1ccc(Oc2cccnc2)cc1 95447830 UHHUMUJBQBXNFX-UHFFFAOYSA-N 352.394 3.541 0 40 FHAB Cc1nc(CCN[C@@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)cs1 95466842 XHYFVWTWLJOQTR-BBRMVZONSA-N 353.532 3.762 0 40 FHAB CC[C@@H](C)N1C(=O)S/C(=C/c2cn(CC(=O)OC)c3ccccc23)C1=O 409009746 BSKNABJQNRNPBD-GFQQVXNGSA-N 372.446 3.649 0 40 FHAB Cc1nn(C)c(C)c1CN(C)C(=O)[C@H](c1ccccc1)N1CCCC[C@@H]1C 72390420 WUTXIZZJCLRCEZ-KKSFZXQISA-N 368.525 3.611 0 40 FHAB C[C@H](CN1CCOCC1)[C@@](O)(Cc1ccccc1)c1ccc(Cl)cc1 31938040 OKFYKMOGOWTGMW-UTKZUKDTSA-N 359.897 3.739 0 40 FHAB COc1ccccc1NC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C)cc1C 35289556 FOMCQYSRQOABCD-SFHVURJKSA-N 367.449 3.947 0 40 FHAB O=C(c1cscn1)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1 72362630 YNXCJNYKRIWUGZ-AWEZNQCLSA-N 366.446 3.745 0 40 FHAB Cc1noc(C)c1Cc1noc([C@@H]2CCN(c3ccccc3Cl)C2)n1 558519046 FHXCOBHHRVOIBK-CYBMUJFWSA-N 358.829 3.913 0 40 FHAB O=C(NCc1cccnc1OCC(F)(F)F)c1cc2ccccc2o1 33108063 QEARHNNVDHIDEZ-UHFFFAOYSA-N 350.296 3.699 0 40 FHAB COc1cc2c(cc1S(=O)(=O)N[C@@H]1CCCc3ccccc31)CCCC2 222593310 WTITWFIGWJIXMK-LJQANCHMSA-N 371.502 3.930 0 40 FHAB CCc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 44947164 YJIMYZPOQYZKHP-UHFFFAOYSA-N 352.843 3.526 0 40 FHAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 224109864 HVPNRPQXDDTVIP-QGZVFWFLSA-N 370.468 3.558 0 40 FHAB COc1cccc(-c2noc(CNC(=O)CCc3ccc(C)c(C)c3)n2)c1 225544505 FWDZTTSODHDAOV-UHFFFAOYSA-N 365.433 3.611 0 40 FHAB COc1ccc(C(=O)N[C@H]2CCC[C@@H](OC(=O)Nc3ccccc3)C2)cc1 75165844 IZBNSJPXAWJMHE-PKOBYXMFSA-N 368.433 3.985 0 40 FHAB Cc1ccc(CNC(=S)Nc2ccc(Br)c(C)n2)cc1 223942242 GULGGOASKSPHKN-UHFFFAOYSA-N 350.285 3.948 0 40 FHAB O=C(Nc1ccccc1C(F)(F)F)c1cccc(CN2CCOCC2)c1 44949196 IGFNLQYNLUKOSP-UHFFFAOYSA-N 364.367 3.790 0 40 FHAB CC(C)NC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)c(N)c1 225438428 ZOOUKUSMWAPVHP-UHFFFAOYSA-N 351.494 3.866 0 40 FHAB Cc1ccc(C(=O)Oc2cc(Cl)ccc2Cl)cc1S(C)(=O)=O 40140465 QXZSHDNKWUQOHK-UHFFFAOYSA-N 359.230 3.925 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cc3cccc(Cl)c3oc2=O)cc1 226040041 OFISEQMEOOUDBZ-UHFFFAOYSA-N 371.776 3.875 0 40 FHAB CCOc1ccc(S(=O)(=O)N(C)c2cccc(C(F)(F)F)c2)cc1 224586974 HKQANHLYNHUNKP-UHFFFAOYSA-N 359.369 3.929 0 40 FHAB CCn1c(NC(=O)[C@@H]2CCN(c3ccccc3F)C2)nc2ccccc21 577107246 NWEMHLPECZZVJK-CQSZACIVSA-N 352.413 3.660 0 40 FHAB COC(=O)c1c(NC(=O)c2ccc(OC)c(F)c2)sc2c1CCCC2 97076234 UVJQSVIDPGFTLX-UHFFFAOYSA-N 363.410 3.814 0 40 FHAB Cc1ccc(CN2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)s1 96061687 JFOXTNMTIDRJHA-RTWAWAEBSA-N 356.535 3.574 0 40 FHAB C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)c1c[nH]c2nccc-2c1 1595791797 DENDTTHRWSKQRI-MRXNPFEDSA-N 362.477 3.819 0 40 FHAB CCC[C@@]1(CO)CCN(Cc2cn(C)nc2-c2cc3ccccc3o2)C1 585084707 XRVGUCWGFOSWHL-OAQYLSRUSA-N 353.466 3.818 0 40 FHAB Cc1nc(-c2ncc(C)s2)cc(C2CCN(C(=O)C(C)(C)C)CC2)n1 257229680 FZCVCRABJXFYCT-UHFFFAOYSA-N 358.511 3.969 0 40 FHAB C[C@H](NC(=O)c1ccc2nccnc2n1)c1nc(-c2ccccc2)cs1 539936073 UOKOBZYYSXDQCG-LBPRGKRZSA-N 361.430 3.639 0 40 FHAB COc1ccc(/C=C\C(N)=O)cc1OCc1cccc(Br)c1 361634180 FUHJGIOBKGEXTB-VURMDHGXSA-N 362.223 3.535 0 40 FHAB COc1cc(Cl)c(CN2C[C@H](OC)C[C@H]2c2ncc[nH]2)cc1Cl 643772803 UXXRNOOTYQYFFI-RISCZKNCSA-N 356.253 3.687 0 40 FHAB O=C(c1ccc(-c2ccccc2Cc2ccccc2)cc1)N1CCNCC1 1240123427 LITAMZSLPUNMHJ-UHFFFAOYSA-N 356.469 3.990 0 40 FHAB COCc1cccc(-c2n[nH]c3c2CCN(C(=O)C2CCCCC2)CC3)c1 585110411 RFWUTUMWBFZTCA-UHFFFAOYSA-N 367.493 3.731 0 40 FHAB COc1ccc2cc(C(=O)NCc3cncc(-c4cccnc4)c3)[nH]c2c1 824757830 LYJSYERHRUSPTC-UHFFFAOYSA-N 358.401 3.564 0 40 FHAB Cc1ccc(CN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)C2CC2)o1 46283511 DHQZJNQOXBHADP-LJQANCHMSA-N 368.433 3.510 0 40 FHAB CCc1noc(C)c1C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 55754082 GLJMFNXEWHTZFC-CYBMUJFWSA-N 355.438 3.812 0 40 FHAB C[C@@H]1C(=O)Nc2cc(C(=O)N[C@@H](c3ccccc3)C(C)(C)C)ccc2N1C 97012308 XDBIDBNSLOUUTH-KUHUBIRLSA-N 365.477 3.981 0 40 FHAB Cc1cc(C)nc(S[C@@H](C)C(=O)c2cc(Br)ccc2O)n1 5744149 YXYFAURRPOBPKE-JTQLQIEISA-N 367.268 3.925 0 40 FHAB C/C(=C\c1ccccc1)CN1CC[C@H](c2cc3nc(C)c(C)c(O)n3n2)C1 12255321 ZLOYVLVSFTVJIM-LSSBLYJVSA-N 362.477 3.945 0 40 FHAB Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1 12329446 IPODWICUONHWCC-LEWJYISDSA-N 367.489 3.688 0 40 FHAB CC(C)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 16122018 JLKZFGPNESNLOU-UHFFFAOYSA-N 370.833 3.874 0 40 FHAB CC[C@@H](c1ccc(F)cc1)N(C)C(=O)c1nn(CC)c(=O)c2ccccc12 19717040 WLMCTBZXABAVCR-SFHVURJKSA-N 367.424 3.779 0 40 FHAB Cc1cc(NC(=S)NC(=O)CC(C)C)ccc1-c1ccc(C(=O)O)o1 226351504 VNWGUJDYONSVSV-UHFFFAOYSA-N 360.435 3.812 0 40 FHAB Cc1cc(C(=O)Cn2cnc3c(oc4ccccc43)c2=O)c(C)n1C1CC1 5797484 LNVOSMJLALEAIO-UHFFFAOYSA-N 361.401 3.779 0 40 FHAB Cc1nc2ccccc2c(=O)n1CC1CCN(c2nc3ccccc3o2)CC1 1888974300 JHNVPUNWDLXOAH-UHFFFAOYSA-N 374.444 3.763 0 40 FHAB O=C(N1CCCC1)[C@@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN1 953083733 YSDXUJWKODZSNF-QFIPXVFZSA-N 352.453 3.780 0 40 FHAB Fc1ccccc1CSc1ncnc2c1nnn2Cc1ccccc1F 4166539 REQMJYCKKSZQKH-UHFFFAOYSA-N 369.400 3.840 0 40 FHAB O=C(Nc1cc(F)ccc1F)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4374340 AFJHSXVUABXGGB-GFCCVEGCSA-N 365.767 3.545 0 40 FHAB CCc1ccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 5388456 JORANYCSMDRCJP-UHFFFAOYSA-N 367.836 3.765 0 40 FHAB O=C(COc1ccc(Cl)cc1)NCc1cc(-c2ccc(F)cc2)on1 11613455 ZJYODTWJXKEWBL-UHFFFAOYSA-N 360.772 3.829 0 40 FHAB CC(C)c1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(F)c3)n2)cc1 11781402 DXKBXVJMKKVNGE-UHFFFAOYSA-N 365.408 3.806 0 40 FHAB CCO[C@@H]1CC2(CCN(C(=O)c3cc(OC)no3)CC2)c2ccc(C)cc21 2055738787 QMYGLILMFZHLPC-GOSISDBHSA-N 370.449 3.647 0 40 FHAB O=C(NC1CC1)C1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1 376794483 OFDHQYIDBDHIGI-UHFFFAOYSA-N 363.383 3.749 0 40 FHAB COC(=O)CSc1nnc(C(C)C)c2cnn(-c3ccc(C)cc3)c12 38488227 ZSYGUKNJENOUDX-UHFFFAOYSA-N 356.451 3.512 0 40 FHAB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccc(F)c(F)c1 11418269 GZKBKDSULZQMCZ-UHFFFAOYSA-N 350.752 3.997 0 40 FHAB CN(CCCNS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1 69091481 ATYVYXPHUBYUHR-UHFFFAOYSA-N 372.412 3.510 0 40 FHAB CCCCCn1c(=N)n(C[C@H](O)COc2ccccc2C)c2ccccc21 20332484 MQUBPUGYERSITR-SFHVURJKSA-N 367.493 3.861 0 40 FHAB Cc1nc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCC2)C3=O)sc1C 31814312 JHMJTBRJKSEEAN-UHFFFAOYSA-N 369.446 3.551 0 40 FHAB Cc1ccc(S(=O)(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1 6736978 PQLYMNYDMUMYIA-UHFFFAOYSA-N 371.462 3.644 0 40 FHAB O=C(/C=C/c1ccc2ccccc2n1)NCc1ccc(N2CCCC2)nc1 32809485 XCWDUSTYTFONJK-ZRDIBKRKSA-N 358.445 3.560 0 40 FHAB O=C(CCCc1nc2ccccc2s1)N1CCN(c2ccccc2)CC1 2637147 AZOLWIFGYAOYTE-UHFFFAOYSA-N 365.502 3.968 0 40 FHAB O=C(CCn1nc(-c2cccc(Cl)c2)ccc1=O)NC1CCCCCC1 41253615 ZKCAHIJMYFIXOC-UHFFFAOYSA-N 373.884 3.793 0 40 FHAB Cc1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)c1-n1cccc1 32933310 FCGCMASZEXODOI-UHFFFAOYSA-N 369.808 3.630 0 40 FHAB C[C@@H]1CCc2noc(NC(=O)COc3ccc(Br)cc3)c2C1 11915740 GJQBLDNXHPOVNV-SNVBAGLBSA-N 365.227 3.579 0 40 FHAB Cc1cc(Cl)ccc1OCCCC(=O)OCc1ccc(C(N)=O)cc1 16744714 DVHMIQHHBHIQJA-UHFFFAOYSA-N 361.825 3.650 0 40 FHAB Cc1ccc(-n2nnnc2/C=C\Nc2ccc(OC(F)(F)F)cc2)cc1 100209488 NFGJJMPDELHVFN-KHPPLWFESA-N 361.327 3.952 0 40 FHAB CN(C(=O)CN1CCN(Cc2cccc3ccccc23)CC1)c1ccccc1 22803044 LYWCBEBJNUQURE-UHFFFAOYSA-N 373.500 3.620 0 40 FHAB CCNc1nnc(SC[C@H](O)CO[C@@H]2CCCc3ccccc32)s1 54169076 BNXNQBBGROCBEJ-UKRRQHHQSA-N 365.524 3.517 0 40 FHAB CCN(C(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O)c1ccccc1 24985944 NBYKNRPNOMHOHD-IBGZPJMESA-N 364.445 3.750 0 40 FHAB O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cc(F)ccc1F 12543574 DZQWAYLLGAICBH-UHFFFAOYSA-N 352.768 3.707 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](c2ccccc2F)c2nccn2C)cc1 12550413 ZAWKCLMXAPRYLM-BEFAXECRSA-N 367.424 3.541 0 40 FHAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1ccsc1 24383972 OZLGITFYBRSVMF-INIZCTEOSA-N 364.898 3.815 0 40 FHAB O=C(NCCc1cnn(-c2ccccc2)c1)c1cc(F)c(F)cc1Cl 55144077 WHTAQKVIHPKACM-UHFFFAOYSA-N 361.779 3.776 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)CSCc2c(C)noc2C)c1 24842332 STGHWACQWDKULA-UHFFFAOYSA-N 364.467 3.961 0 40 FHAB C[C@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)c1ccc(F)cc1 8229542 LQDAAKDHJQSJDX-JTQLQIEISA-N 362.817 3.818 0 40 FHAB Cc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc2c(c1)CCC2)C(C)C 8240973 QKXOZGGURTYPOJ-FQEVSTJZSA-N 350.462 3.877 0 40 FHAB NC(=O)c1cccc(Oc2ccc(NC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)cn2)c1 107349547 VSIVITZPCDYCAG-OFQRWUPVSA-N 365.433 3.738 0 40 FHAB CN(C)C(=O)c1cc(NC(=O)Cc2cccc3cccnc23)ccc1Cl 57145614 IITYPMDCJJZPTE-UHFFFAOYSA-N 367.836 3.771 0 40 FHAB Cc1ccc(-c2noc([C@@H](C)N3CCN(Cc4ccccc4)CC3)n2)cc1 26597641 UMEJITVUHDJHPA-GOSISDBHSA-N 362.477 3.924 0 40 FHAB CCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1c(C)nn(C)c1C 58185519 IXUUTXPFVWWTOP-UHFFFAOYSA-N 355.360 3.636 0 40 FHAB O=C(CCCc1nc(-c2cccs2)no1)Nc1ccc2cn[nH]c2c1 58184262 QZASRMBYHKDFQZ-UHFFFAOYSA-N 353.407 3.636 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc(C)cc2)cc1 26311137 XFLSLYDNIUFELU-QGZVFWFLSA-N 360.523 3.876 0 40 FHAB O=C(NCc1cccnc1Oc1cccc(F)c1)[C@H]1Cc2ccccc2O1 58413196 RSTQQMVIEGTMGO-LJQANCHMSA-N 364.376 3.633 0 40 FHAB O=C(NCc1ccccc1Cn1cccn1)c1cccc(C(F)(F)F)c1 10542638 YTELROOKCAIAGY-UHFFFAOYSA-N 359.351 3.880 0 40 FHAB CC(C)c1nnc(NC(=O)Cc2c(F)c(F)c(F)c(F)c2F)s1 10515437 UINWVGIVTGRRSD-UHFFFAOYSA-N 351.300 3.538 0 40 FHAB CSc1ncc(Br)c(-c2nnc(-c3ccccc3C)o2)n1 28287145 VGCPMKMQNYJBMS-UHFFFAOYSA-N 363.240 3.986 0 40 FHAB Cc1noc2ncc(C(=O)N(C)[C@@H](c3ccccc3)c3ccccn3)cc12 69483936 GGJXVFIICHQOKN-IBGZPJMESA-N 358.401 3.788 0 40 FHAB Cc1cc2nnc(S[C@H](C)C(=O)NCc3ccco3)n2c2ccccc12 6039438 CWHVRCOMLZJHCG-CYBMUJFWSA-N 366.446 3.581 0 40 FHAB CC[C@]1(C)Cc2ccccc2-c2nc(NN)n(CCc3ccccc3)c(=O)c21 5119092 XFCUFKXBYCLIKL-HSZRJFAPSA-N 374.488 3.662 0 40 FHAB COCCCN1C(=O)S/C(=C/c2cccn2-c2ccccc2C)C1=O 409232224 PDNXTMHKPXEQAV-GHRIWEEISA-N 356.447 3.859 0 40 FHAB CCn1ncc2c1NC(=O)C[C@H]2c1cnc(-c2ccccc2OC)s1 65408476 LLFFHGJIYJRNCV-GFCCVEGCSA-N 354.435 3.509 0 40 FHAB Cc1ccc(C[C@@H]2CCCN(C(=O)C(=O)Nc3cc(F)cc(F)c3)C2)cc1 65402128 JXWDPPZMDLUBDK-INIZCTEOSA-N 372.415 3.693 0 40 FHAB Cc1cccc(Cc2c(C)nc(Nc3nc(C)c4ccccc4n3)[nH]c2=O)c1 17879148 XRRKYBUIGYDKHR-UHFFFAOYSA-N 371.444 3.973 0 40 FHAB CCOC(=O)C1CCN(c2nc3c(Cl)c(C)nn3c3ccccc23)CC1 14245869 FONPTXTXTZKYHX-UHFFFAOYSA-N 372.856 3.624 0 40 FHAB CCOc1ccc2nc(NC(=O)Cc3cn4ccsc4n3)sc2c1 6653257 XPLJVVZMVPBQTM-UHFFFAOYSA-N 358.448 3.585 0 40 FHAB C[C@H]1CCCC[C@]12NC(=O)N(Cc1csc(-c3ccc(F)cc3)n1)C2=O 14845290 CZVXIMRRDCLQPH-BUXKBTBVSA-N 373.453 3.950 0 40 FHAB COc1ccc(N2C(=O)[C@H](CN3CCCCC3)[C@H]2c2ccccc2)cc1 5720512 LLCAMQMPRIAKTP-NHCUHLMSSA-N 350.462 3.885 0 40 FHAB Cc1cc(C(=O)Cn2nnc(-c3cccc(Cl)c3)n2)c(C)n1C(C)C 7148887 VJZZTBSVPVSIII-UHFFFAOYSA-N 357.845 3.876 0 40 FHAB CCOc1ccc(C(=O)OCc2nc(-c3cccs3)no2)cc1OCC 7155154 DSTFGEVRVYUHBX-UHFFFAOYSA-N 374.418 3.953 0 40 FHAB CCCOc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1OCCC 7473672 VYGCSVRAQAFCKK-UHFFFAOYSA-N 356.422 3.615 0 40 FHAB C[C@H](NC(=O)COC(=O)c1cccs1)c1ccc(Br)cc1 7532999 ZACFSTRESKXCHT-JTQLQIEISA-N 368.252 3.545 0 40 FHAB Cc1oc2cc(OC(=O)[C@@H](N)C(C)C)ccc2c(=O)c1-c1ccc(F)cc1 19703095 ZMHGLSBBKKOSMD-IBGZPJMESA-N 369.392 3.796 0 40 FHAB biogenic Cc1ccc2nc(CSc3nnnn3-c3c(C)cccc3C)cn2c1 9365657 RKAALWGGWKHZAV-UHFFFAOYSA-N 350.451 3.528 0 40 FHAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc(F)c(Cl)cc2Cl)no1 9500917 KDYGODBIROCSLA-ZETCQYMHSA-N 361.156 3.613 0 40 FHAB Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@H](C)Cc1nc3ccccc3s1)C2 84129017 OGUWHQLWKMLKHC-RDTXWAMCSA-N 366.486 3.964 0 40 FHAB CN(C)[C@@H](CNC(=O)Nc1cc(-c2ccccc2)ns1)c1ccco1 72309657 DPVUACPFMANBEW-HNNXBMFYSA-N 356.451 3.828 0 40 FHAB O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCCCC[C@@H]1c1ccco1 76510621 IYAPQUMZVLAQGB-CQSZACIVSA-N 368.355 3.604 0 40 FHAB C[C@H](C(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl)N1CCSCC1 95432683 BZMTWOWTOCQKOF-VXGBXAGGSA-N 361.338 3.950 0 40 FHAB CN(C(=O)Nc1ccccc1OC(F)F)[C@@H](CCO)c1ccccc1 79101041 YOHIFEVCOSVYGY-HNNXBMFYSA-N 350.365 3.875 0 40 FHAB COc1cccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c1 24560117 SRKVTIOFDXKLHT-FQEVSTJZSA-N 361.445 3.747 0 40 FHAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccsc3)C2=O)c1 408931542 MZSRIQCLMNPHES-ZSOIEALJSA-N 358.444 3.732 0 40 FHAB CCCc1nnc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)s1 32593599 DTAIZQYAZFGRLE-UHFFFAOYSA-N 363.826 3.811 0 40 FHAB COc1cccc(N2C(=O)C[C@@H](Nc3ccc(Cl)c(Cl)c3)C2=O)c1 36635622 BURGTDZJYJZZFM-OAHLLOKOSA-N 365.216 3.746 0 40 FHAB C[C@@H](C(=O)N(C)Cc1ccc(Cl)s1)n1ccc(C(F)(F)F)n1 1523180084 QWBVVWFFYCTDTG-QMMMGPOBSA-N 351.781 3.836 0 40 FHAB COc1ccc(Cl)cc1CC(=O)N(Cc1ncc[nH]1)c1cncc(C)c1 549691687 CIYUYAZGPFWQAX-UHFFFAOYSA-N 370.840 3.551 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1 219527144 SDNLDUQWPWRSQN-DLBZAZTESA-N 357.450 3.663 0 40 FHAB C=CC(=O)Nc1cccc(C(=O)N2CCc3c(F)cc(F)cc3[C@@H]2C)c1 1545729777 KRKZLAHLUNEESA-LBPRGKRZSA-N 356.372 3.849 0 40 FHAB COc1ccc2c(c1)CCCN(C(=O)N[C@@H](C)c1c(F)cncc1F)C2 561972742 QZYQUYVVCKPQHB-LBPRGKRZSA-N 361.392 3.587 0 40 FHAB C[C@](O)(CCc1ccccc1)CNC(=O)c1ccc(Br)cc1 61975756 ZPCNGYNMLSWRTI-SFHVURJKSA-N 362.267 3.563 0 40 FHAB COc1ccc(C(=O)NCc2nc(-c3ccc(OC)cc3)cs2)cc1 72264958 GQUNZYONFPUUQI-UHFFFAOYSA-N 354.431 3.757 0 40 FHAB COCCN1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 72358510 BXYLYBPDOPCOEB-OAHLLOKOSA-N 365.399 3.988 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(C)C)cc2)c1 225929576 ACMVKSZUVAHOCC-UHFFFAOYSA-N 374.506 3.686 0 40 FHAB COC(=O)c1ccc(C(=O)NCc2cccnc2-c2cccs2)cc1 225759595 AIVWBHDVTBLJAT-UHFFFAOYSA-N 352.415 3.527 0 40 FHAB CCc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222709666 QPAAMSHOJONNFM-HUUCEWRRSA-N 355.434 3.665 0 40 FHAB COc1ccc(C[C@@H](Oc2ccc(Cl)c(C)c2)C(=O)O)c(OC)c1 225112442 XVNFPLMXLOMQJK-QGZVFWFLSA-N 350.798 3.740 0 40 FHAB O=C(NC1CCCC1)c1snnc1-c1ccc(Br)cc1 225782195 JAHGVOUOQJQVAQ-UHFFFAOYSA-N 352.257 3.640 0 40 FHAB CCc1ccc(OCCNC(=O)CSCc2ccc(OC)cc2)cc1 223432778 QBCDZUVKWYJMTM-UHFFFAOYSA-N 359.491 3.686 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 224743642 BEVXLPSQSVJJBZ-LJQANCHMSA-N 366.505 3.871 0 40 FHAB CCOc1cccc(NC(=S)NCc2nc(-c3ccccc3)no2)c1 225813624 AEGHFZYEIHPXFS-UHFFFAOYSA-N 354.435 3.622 0 40 FHAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1C 224630892 WOTHICZSBRNGJM-OAQYLSRUSA-N 366.505 3.524 0 40 FHAB O=C(NC1CCCCCC1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223919594 DNRGTGOTQSUADS-UHFFFAOYSA-N 372.490 3.940 0 40 FHAB C[C@@]1(c2ccc(F)cc2)NC(=S)N(c2ccc(Br)cc2)N1 225347068 ASBHFPWMVJRYNW-OAHLLOKOSA-N 366.259 3.660 0 40 FHAB CCOc1ccc(-c2noc(CNC(=O)Cc3ccccc3Cl)n2)cc1 225443274 WAWSJANLLNDQNI-UHFFFAOYSA-N 371.824 3.648 0 40 FHAB COc1ccc(S(=O)(=O)N2CCC(c3ccsc3)CC2)cc1C 77103799 GLWQQYBLKXLQTR-UHFFFAOYSA-N 351.493 3.633 0 40 FHAB Cc1nc([C@@H]2COCCN2C(=O)Cc2csc3ccccc23)cs1 96218743 LZFCXEJNVJYMBZ-INIZCTEOSA-N 358.488 3.809 0 40 FHAB CC(C)(C)OC(=O)N[C@H]1CCCN([C@H](C(=O)O)c2cc3ccccc3o2)C1 95868161 HDNYGKNQOPVAMD-YOEHRIQHSA-N 374.437 3.548 0 40 FHAB COc1ccc([C@@H](NC(=O)N2CCO[C@H](C(C)(C)C)C2)C(F)(F)F)cc1 334101749 GIZLHPPVPLNJAV-LSDHHAIUSA-N 374.403 3.755 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)c(F)c1 95067870 LSUBXXNBQREGEN-UHFFFAOYSA-N 362.195 3.837 0 40 FHAB COc1ccc([C@H]2Cn3c(C)cnc3CN2C(=O)c2ccsc2)cc1 257226505 FKWPNRQAHRPQQA-QGZVFWFLSA-N 353.447 3.659 0 40 FHAB O=C(c1cnc(-c2c(F)cccc2F)s1)N1CCC[C@@H](c2cc[nH]n2)C1 651185314 JHUDETTUDCWQNK-LLVKDONJSA-N 374.416 3.831 0 40 FHAB c1cc(COCC[C@@H]2CCOC23CCN(Cc2ccoc2)CC3)ccn1 585105549 ZKDLIZUYRIBATC-HXUWFJFHSA-N 356.466 3.653 0 40 FHAB COC(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 47372865 ORYKKIWICOEMFH-UHFFFAOYSA-N 352.312 3.814 0 40 FHAB CC(C)[C@@H]1CN(C(=O)OCc2ccccc2)CCN1C(=O)OC(C)(C)C 95635073 XPFWYZBCZDVRJL-KRWDZBQOSA-N 362.470 3.901 0 40 FHAB in-vitro CCCCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)CC)cc12 11615818 NQMOZZDYPHOYFA-UHFFFAOYSA-N 353.440 3.768 0 40 FHAB CC(C)(C)c1ncc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cn1 12197210 VHQVNPQPBAGRCE-UHFFFAOYSA-N 366.465 3.653 0 40 FHAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)C(C)C)cc2n1 12276493 XKTZKQPZRGUVDZ-ZDUSSCGKSA-N 354.376 3.630 0 40 FHAB Cn1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c2ccccc21 12543201 ANUOMXLNJPXVFV-GOSISDBHSA-N 362.429 3.927 0 40 FHAB Cc1cc(C)nc(SCc2cc(O)n(-c3nc4ccccc4s3)n2)n1 14607813 RILPGOOEGPIRKA-UHFFFAOYSA-N 369.475 3.887 0 40 FHAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccco4)[C@@H]3C2=O)cc1 18068840 NWAYJQLHBBIFSC-ZCNNSNEGSA-N 374.396 3.639 0 40 FHAB COc1cc2c(cc1CN1CCC(c3cc4nccnc4[nH]3)CC1)CCC2 19550557 OIMKURWFBXUCDR-UHFFFAOYSA-N 362.477 3.835 0 40 FHAB COc1cc2c(cc1CN1CCC(O)(c3ccccc3OC)CC1)CCC2 19569249 GCJBGVMVQYZNPV-UHFFFAOYSA-N 367.489 3.676 0 40 FHAB CCOc1ccc(/C=C/C(=O)OCC(=O)c2ccc(OC)cc2OC)cc1 7255017 UNRJFQPOMSMTBG-KPKJPENVSA-N 370.401 3.542 0 40 FHAB c1cc(CN2CCC[C@H](Cc3cc(-c4ncc[nH]4)ncn3)C2)c2cc[nH]c2c1 1848353193 WFDPVJORIVKFDV-MRXNPFEDSA-N 372.476 3.803 0 40 FHAB C[C@@H](NS(=O)(=O)c1cccc(F)c1)c1ccc(Br)cc1 25655512 UZCHPNQFTAPSAF-SNVBAGLBSA-N 358.232 3.628 0 40 FHAB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)CCSc1ccccc1 238831700 GBGDWBMZUQQUNE-OAQYLSRUSA-N 371.502 3.518 0 40 FHAB Cc1nc2sc(C(=O)Nc3ccc4c(c3)OCO4)c(N)c2c(C)c1C 1010375 ZZEUKJQHUWCEHZ-UHFFFAOYSA-N 355.419 3.785 0 40 FHAB COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(OC)c(OC)c1 4176819 BZLICHQCEGHICY-UHFFFAOYSA-N 371.414 3.957 0 40 FHAB COc1ccc(C(=O)Nc2nnc(-c3cc(C)ccc3C)o2)c(OC)c1 4479482 BKZSELHANCWJOF-UHFFFAOYSA-N 353.378 3.623 0 40 FHAB O=C(c1cccn(Cc2ccccc2Cl)c1=O)N1CCc2ccccc21 5269960 HBAQPWMAOVKFIY-UHFFFAOYSA-N 364.832 3.753 0 40 FHAB COc1cc(C(=O)Nc2nc3ccc(F)cc3s2)cc(OC)c1OC 6641369 DSUXXDKXPJQOBQ-UHFFFAOYSA-N 362.382 3.714 0 40 FHAB CCOc1ccc2nc(N3CCN(C(=O)C4CCCCC4)CC3)sc2c1 15391667 GPCHGLDOXCZFPA-UHFFFAOYSA-N 373.522 3.924 0 40 FHAB c1ccc(N2CCN(c3nnc(SCc4ccccn4)s3)CC2)cc1 23140078 PGPCDHVQWWZJJX-UHFFFAOYSA-N 369.519 3.552 0 40 FHAB Cc1cc(NC(=O)CN(C)C(=O)c2ccc(C3CCCCC3)cc2)no1 40013147 KRHWNYQMUPDOCH-UHFFFAOYSA-N 355.438 3.741 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3ccccc3)c3cnn(C)c3n2)cc1 36613263 TWJDUKMDCZSQPR-UHFFFAOYSA-N 358.401 3.896 0 40 FHAB CCN(CC(=O)NCc1cccs1)C(=O)c1oc2ccccc2c1C 7842369 QGKZFMODCHINPN-UHFFFAOYSA-N 356.447 3.581 0 40 FHAB CC(=O)Nc1ccccc1OCC(=O)N[C@H](C)c1cc2ccccc2o1 7895626 ZNMOPTFHCRPCIM-CYBMUJFWSA-N 352.390 3.647 0 40 FHAB O=S(=O)(O)[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 2044714 ADTSNJZRJXEBLK-IBGZPJMESA-N 354.427 3.552 0 40 FHAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)Nc1ccccc1OC 2338135 YTCIAWJRYPJVJZ-UHFFFAOYSA-N 353.378 3.916 0 40 FHAB Fc1c(Br)nc(Br)c(F)c1Br 2506708 GKWOSYZICRXPCI-UHFFFAOYSA-N 351.770 3.647 0 40 FHAB O=S(=O)(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccccc1 2502465 SIZQVDRPQJFDQI-UHFFFAOYSA-N 355.444 3.864 0 40 FHAB COC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1Cc1ccccc1 4244441 KAMLALAVMPSYFK-CYBMUJFWSA-N 371.437 3.786 0 40 FHAB COc1ccc(C(C)=O)cc1CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O 6628106 MDQVNTSMDSHSKB-LRTDBIEQSA-N 372.465 3.535 0 40 FHAB CCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 7323313 PSLRJNDWXLZKSY-UHFFFAOYSA-N 372.490 3.739 0 40 FHAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2cccc(C)c2)c1 7716936 JIYDLIMYQTUNDI-IBGZPJMESA-N 354.450 3.788 0 40 FHAB COc1ccc(O[C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)cc1 11711891 IZNVHDSPQXZLJZ-CYBMUJFWSA-N 356.447 3.731 0 40 FHAB Cc1nc(COc2ccccc2/C=C/C(=O)NCc2ccccn2)cs1 29517009 BLBFRNSPKXUTFH-MDZDMXLPSA-N 365.458 3.755 0 40 FHAB C[C@H](Sc1nnc(-c2ccco2)n1[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)C(N)=O 102252272 KQAJDSDKFWVXNH-PEDHHIEDSA-N 360.483 3.501 0 40 FHAB COc1ccc(-c2nsc(NC(=O)COc3ccccc3C)n2)cc1 12063006 FTKDLPUQGHWKGW-UHFFFAOYSA-N 355.419 3.540 0 40 FHAB CNC(=O)c1cccc(CNC(=O)c2ccc(-c3ccccc3)cc2F)c1 32930063 RGDGJWNTFQRORZ-UHFFFAOYSA-N 362.404 3.782 0 40 FHAB Cc1ccc(NC(=O)c2ccn(COc3ccc(F)c(Cl)c3)n2)nc1 2788162 ZWQBUYGQUQJUMW-UHFFFAOYSA-N 360.776 3.668 0 40 FHAB COC(=O)c1cc(-c2cccnc2)nc2c1c(C)nn2-c1ccc(C)cc1 7991052 XINRUYOYBHTLOZ-UHFFFAOYSA-N 358.401 3.886 0 40 FHAB Cc1ccccc1Cc1cnc(NC(=O)CSc2nncs2)s1 53315888 MKJJJDJKYVMHEP-UHFFFAOYSA-N 362.505 3.625 0 40 FHAB COc1ccc(-n2nnnc2C2(NCc3ccccc3)CCCCC2)cc1 22436715 POEDANGNSSPGAY-UHFFFAOYSA-N 363.465 3.620 0 40 FHAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(C(=O)O)cc2)cc1OC 20111161 BVPWOKOANWCGMM-LLVKDONJSA-N 361.419 3.521 0 40 FHAB C[C@@H]1CN(C(=O)c2cnc(-c3ccccn3)s2)c2ccc(F)cc2O1 173519835 SJLMZTWDWWDAPM-LLVKDONJSA-N 355.394 3.772 0 40 FHAB CC1(C)C[C@@]2(CCO1)OC(=O)C[C@H]2C(=O)Nc1c(Cl)cccc1Cl 1079442 GTOISFOVUPTITK-DYZYQPBXSA-N 372.248 3.823 0 40 FHAB CN1CCN(Cc2cccc(C(=O)c3ccccc3C(F)(F)F)c2)CC1 22028044 YIQYUBFDTXCRMG-UHFFFAOYSA-N 362.395 3.684 0 40 FHAB Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)[C@]1(C)C[C@H]2C=C[C@H]1C2 112250940 CLVJTPPIEGDKFJ-VFCRVFHLSA-N 364.449 3.820 0 40 FHAB O=C(COc1ccc(Br)cc1)Nc1ccn(-c2ccccc2)n1 24982656 FNPNVXRHPQFHCN-UHFFFAOYSA-N 372.222 3.652 0 40 FHAB Cc1cc(C(=O)CCC(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c(C)s1 55402237 JKMTWKBQYOIJFP-KBPBESRZSA-N 350.528 3.564 0 40 FHAB C[C@@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)c1ccc(F)cc1 25043533 UTHLYMFOVLFDKO-MFKMUULPSA-N 367.471 3.632 0 40 FHAB CC(=O)Nc1ccc(Nc2nc(C)c(C(=O)c3ccccn3)s2)cc1 1425903 KAQDZSVJBTUVSR-UHFFFAOYSA-N 352.419 3.780 0 40 FHAB Cc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c(C)n1Cc1ccco1 25243723 CDJLOMPYQFRJHD-AWEZNQCLSA-N 366.417 3.966 0 40 FHAB O[C@H](CO[C@@H]1CCCc2ccccc21)Cn1cnc2cc(F)c(F)cc21 43650450 IFFIYJABSKZSLA-VBKZILBWSA-N 358.388 3.770 0 40 FHAB C[C@H](c1ccc(F)cc1)N(C)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 26872875 BUZIYLIIBNPUCK-CQSZACIVSA-N 367.424 3.605 0 40 FHAB CC(=O)NCCC(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 3322407 AUFCNLJBJSKHCX-UHFFFAOYSA-N 355.419 3.553 0 40 FHAB O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)NC1CCCCC1 3317202 FWJUAYRDWBYYDF-UHFFFAOYSA-N 351.446 3.888 0 40 FHAB CC(C)(C)OC(=O)N1CCC(N(C(=O)[C@H]2CCCO2)c2ccccc2)CC1 68905660 ZIYSBGYPYBLEKG-GOSISDBHSA-N 374.481 3.598 0 40 FHAB CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc(F)cc(F)c2)c1C 58225533 VPBVYAWKYMRADM-UHFFFAOYSA-N 368.405 3.677 0 40 FHAB O=C(CSc1ccccn1)NC1(c2ccc3c(c2)OCCO3)CCCC1 10394600 LPDJZMBNGJHYMJ-UHFFFAOYSA-N 370.474 3.531 0 40 FHAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1F 12897118 JDFGYHGMBKRFMV-UHFFFAOYSA-N 358.457 3.877 0 40 FHAB CN(C(=O)CSc1nnc2sc3ccccc3n12)c1ccccc1 3495726 USHWSAXMNJWNFJ-UHFFFAOYSA-N 354.460 3.699 0 40 FHAB CCOc1ccccc1NC(=O)COC(=O)c1cc(Cl)ccc1OC 3497903 XMOXIDAWXKIIQW-UHFFFAOYSA-N 363.797 3.543 0 40 FHAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3C)n2C)c1 2327954 JUUCICUXVUNJDX-UHFFFAOYSA-N 352.463 3.830 0 40 FHAB CC(=O)c1cc2c(cc1NC(=O)c1c(-c3ccccc3)noc1C)OCO2 3459495 WPDLFLACJNEJQT-UHFFFAOYSA-N 364.357 3.834 0 40 FHAB Cc1cc(F)ccc1-n1cc(O)c(C(=O)N2CC[C@H](c3ccccc3)C2)n1 81727445 ZUEGEWHIUDICEE-INIZCTEOSA-N 365.408 3.655 0 40 FHAB O=C(COCCOc1ccccc1)N[C@@H]1CCSc2ccc(F)cc21 48738794 GKKYYMOFIUWOGL-QGZVFWFLSA-N 361.438 3.574 0 40 FHAB CC(C)CNc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1 13059496 SSFIJEQOWKRFKB-UHFFFAOYSA-N 365.524 3.663 0 40 FHAB O=C(O)CCCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1F 4104459 DEELNTHFIIHRMK-GOSISDBHSA-N 354.381 3.758 0 40 FHAB Cc1nc(-c2ccccc2)nc2sc(C(=O)Nc3nccs3)c(N)c12 13625014 KOJPKPCAEUQEMH-UHFFFAOYSA-N 367.459 3.958 0 40 FHAB CCCOC(=O)c1ccc(NC(=O)Cn2c(CC)nc3ccccc32)cc1 5269882 YCRKDQPBSFZTLC-UHFFFAOYSA-N 365.433 3.804 0 40 FHAB Cc1cc2nc3s/c(=C/c4c(C)[nH]c5ccccc45)c(=O)n3c2cc1C 4491615 RIWDUGLUQXGDIM-VXLYETTFSA-N 359.454 3.863 0 40 FHAB Cc1onc(-c2ccccc2)c1C(=O)NCc1cnn(-c2ccccc2)c1 14093063 BPTSRKRGBSUEOE-UHFFFAOYSA-N 358.401 3.766 0 40 FHAB O=C(CCCOc1cccc2ccccc12)N1CCCN2CCC[C@H]2C1 65591687 HJGUBHSFDGKZNR-IBGZPJMESA-N 352.478 3.696 0 40 FHAB CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2ccc3[nH]ncc3c2)cc1 65521452 OKNCGFXFLYIYLB-UHFFFAOYSA-N 364.449 3.619 0 40 FHAB Cc1ccc(CN(C)Cn2nc(-c3cccnc3)n(C)c2=S)c(C)c1 14135027 JDGZRFFPKRNPJH-UHFFFAOYSA-N 353.495 3.719 0 40 FHAB COC[C@@H](C)NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 14189453 GVJUZLAPDAOVIB-CYBMUJFWSA-N 351.402 3.533 0 40 FHAB COc1ccc(NC(=O)NCC2(c3ccc(C)cc3)CCOCC2)cc1 69031914 LXBCAVWRZROHOA-UHFFFAOYSA-N 354.450 3.874 0 40 FHAB C[C@@H]1CN(Cn2nc(-c3cccs3)n(C3CC3)c2=S)C[C@@H](C)O1 14185613 KWTQGPGAVGWKHJ-VXGBXAGGSA-N 350.513 3.544 0 40 FHAB c1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3cnccn23)cc1 4597414 ICGQPVDDUALKFA-UHFFFAOYSA-N 371.444 3.977 0 40 FHAB CC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 4706365 JRESRVQKAJVLRK-LBPRGKRZSA-N 366.870 3.669 0 40 FHAB C[C@H](Sc1nc2ccccc2n1C)C(=O)N(C)Cc1cccc(F)c1 6972457 GAMMZNUAWUWDQP-ZDUSSCGKSA-N 357.454 3.852 0 40 FHAB Cc1cc(SCC(=O)NCc2ccccc2)nc(-c2cccc(F)c2)n1 67257241 YZBRGHZZTGPTEK-UHFFFAOYSA-N 367.449 4.000 0 40 FHAB COc1ccc(CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1F 7654563 LMPQBDHRBPSSKF-UHFFFAOYSA-N 359.422 3.808 0 40 FHAB Cc1cc(C)cc(-n2nnnc2SCC(=O)Nc2ccccc2Cl)c1 7692022 YAXFSYRLOQMJST-UHFFFAOYSA-N 373.869 3.663 0 40 FHAB O=C(CN[C@@H]1CCCc2ccccc21)N(Cc1ccco1)CC(F)(F)F 16046922 LRZQMUWERGCEIB-QGZVFWFLSA-N 366.383 3.838 0 40 FHAB CCn1c(C)cc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1C 83836783 JSMWJNNYJLPUEK-HXUWFJFHSA-N 354.450 3.777 0 40 FHAB O=c1c(-c2ccccc2)nnc2sc(-c3ccc(F)c(Cl)c3)nn12 8990374 HPNJJCGPLQVVJT-UHFFFAOYSA-N 358.785 3.673 0 40 FHAB CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)c3ccccc3)c12 9061301 VDUVACAWKXKXCO-UHFFFAOYSA-N 366.417 3.924 0 40 FHAB O=C(O)c1nsc2c1N=C(O)C[C@@H]2c1cccc(Br)c1 71283078 LQYQPUDQMFVBOZ-MRVPVSSYSA-N 353.197 3.727 0 40 FHAB O=C(CCSc1ccccc1F)Nc1cccc(C(=O)NC2CC2)c1 9722266 LAYJANMSVSEGBV-UHFFFAOYSA-N 358.438 3.839 0 40 FHAB Fc1ccc(N2CCC(NCc3cnn(-c4ccccc4)c3)CC2)cc1 71825259 ILLFYBWPCGKEDL-UHFFFAOYSA-N 350.441 3.770 0 40 FHAB COc1ccc(-c2noc([C@H](C)Oc3ccc(CC(=O)O)cc3)n2)cc1 97165982 XZEWFBSVCFYZFJ-LBPRGKRZSA-N 354.362 3.512 0 40 FHAB C[C@H]1Cc2ccc(Br)cc2[C@@H]1NCCSCC(C)(C)O 95451019 FTMJKCAOUVXJHY-XHDPSFHLSA-N 358.345 3.776 0 40 FHAB CCOc1ccc(C(=O)N(CC)Cc2nc(-c3cccs3)no2)cc1 28189422 NYOSCTSTRUGERE-UHFFFAOYSA-N 357.435 3.859 0 40 FHAB Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@@H](C)n2cccn2)C3)cs1 89359651 AOCDBRCOHNDOOW-LLVKDONJSA-N 358.492 3.522 0 40 FHAB CN(C)c1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1 9931966 AUPSUBXKRODDMW-UHFFFAOYSA-N 351.494 3.669 0 40 FHAB C[C@@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(F)c(F)c1 28912194 DKJVIZDSMJHHGY-GFCCVEGCSA-N 359.376 3.531 0 40 FHAB CCOc1ccccc1CN1C(=O)C(=O)c2cc(Br)ccc21 39842028 DJJXAFOCUYLUSE-UHFFFAOYSA-N 360.207 3.577 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)n2nnc(-c3ccc(Cl)cc3)n2)c1C 31652779 UPLUMYMJBOHPSM-LLVKDONJSA-N 371.828 3.585 0 40 FHAB O=C(NCCc1nc(-c2ccc(Cl)cc2)n[nH]1)c1cccc(Cl)c1 511191476 IIYDSEKNVBGCSI-UHFFFAOYSA-N 361.232 3.751 0 40 FHAB CCc1nc([C@H](C)NC(=O)N2CC[C@]3(C2)OCc2ccccc23)cs1 185703319 NEXULXPQNHVVQZ-ORAYPTAESA-N 357.479 3.608 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c1 30057125 NUMZGBWVRRTZRA-AWEZNQCLSA-N 356.809 3.534 0 40 FHAB CC(=O)Oc1cc2c(s1)CCN([C@@H](C(=O)C1CC1)c1ccccc1)C2 77286570 OPKDRZXNRYIANV-LJQANCHMSA-N 355.459 3.752 0 40 FHAB in-vitro Cc1ccccc1C1=NO[C@@H](CC2(C(=O)O)CCN(CC(C)C)CC2)C1 72389722 NSOPTCYUQALWHZ-QGZVFWFLSA-N 358.482 3.701 0 40 FHAB Cc1ccc(S(=O)(=O)N2c3ccc(Br)cc3C[C@@H]2C)cc1 34876103 NVVFBQMULYNVAE-LBPRGKRZSA-N 366.280 3.897 0 40 FHAB CC(C)Oc1ccc(NC(=O)C(=O)NCc2ccccc2OC(C)C)cc1 42646756 ANVKIADNADGBRA-UHFFFAOYSA-N 370.449 3.516 0 40 FHAB O=C(COc1cccc2c1CCCC2)Nc1cccc(N2CCCC2=O)c1 223432765 ROMZSZLHCIQRDL-UHFFFAOYSA-N 364.445 3.710 0 40 FHAB COc1cccc(NC(=O)CSc2nncn2[C@@H](C)c2ccccc2)c1 48369127 HNGVZOIJWDRISX-AWEZNQCLSA-N 368.462 3.627 0 40 FHAB CC[C@H](NS(=O)(=O)c1cccc(C(=O)OC)c1)c1ccc(C)cc1C 224189210 GGSXUFSEWQGEQB-SFHVURJKSA-N 361.463 3.520 0 40 FHAB O=C(COc1ccc(Cl)cc1)Nc1cccc(OCCn2cccn2)c1 40134870 UTFXJTFZODJFDA-UHFFFAOYSA-N 371.824 3.633 0 40 FHAB CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F 222750863 FWNDMGZNRJXIRD-ZWKOTPCHSA-N 352.438 3.614 0 40 FHAB COc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCCC3)cc2)cc1C 224938086 IQLLKSDFBMFISQ-UHFFFAOYSA-N 360.479 3.713 0 40 FHAB COC1(C(=O)Nc2ccc(OCCN3C[C@H](C)C[C@@H](C)C3)cc2)CCCC1 225626100 NYKUOIMXMUDPAB-QZTJIDSGSA-N 374.525 3.941 0 40 FHAB CS(=O)(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 41107540 SHSLTHCPUBRPBI-UHFFFAOYSA-N 370.308 3.509 0 40 FHAB CC(C)(C)c1ccccc1OCCNS(=O)(=O)Cc1ccccc1F 223701490 QAWNGBDWWXCWHW-UHFFFAOYSA-N 365.470 3.622 0 40 FHAB CCC[C@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1 224195521 OKVWFFYBRQPWHQ-INIZCTEOSA-N 374.506 3.739 0 40 FHAB Cc1ccccc1O[C@@H](C)C(=O)NCC1(c2ccccc2)CCOCC1 223355408 JJMRKEQYAITHAN-SFHVURJKSA-N 353.462 3.627 0 40 FHAB Cc1ncsc1C(=O)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 220925099 CDGOGCMOEYYNNK-LBPRGKRZSA-N 374.491 3.658 0 40 FHAB CCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)nc1C(F)(F)F 89261804 PJGURPXBCPNYTD-UHFFFAOYSA-N 354.115 3.770 0 40 FHAB COc1cccc(-c2noc(CNC(=O)[C@@H](C)Sc3ccccc3)n2)c1 95481657 UXWKYUZUOUFZFR-CYBMUJFWSA-N 369.446 3.542 0 40 FHAB Cc1nc2c(cc1Br)cc(C)n2S(=O)(=O)c1ccccc1 95920024 ADKXOBKQORONQO-UHFFFAOYSA-N 365.252 3.653 0 40 FHAB Cc1cc(-c2cnc(C)n2C)nc([C@H]2CCCCN2C(=O)C(C)(C)C)n1 257232846 GMRCEUNZRLFEGV-MRXNPFEDSA-N 355.486 3.594 0 40 FHAB CC1(C)CC2(CCN(CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)CO1 257239135 HOCCZTQIMJPJEO-UHFFFAOYSA-N 370.415 3.925 0 40 FHAB CSc1ncccc1C(=O)N1CC[C@H](Oc2ccc3ccccc3n2)C1 252498776 RKUCOIHRLWKDQA-HNNXBMFYSA-N 365.458 3.645 0 40 FHAB O=C(N[C@H]1CCCc2sccc21)N1CCC[C@](O)(C(F)(F)F)CC1 288207614 ONEGSSXFYRVBEZ-SWLSCSKDSA-N 362.417 3.614 0 40 FHAB C[C@](CO)(NCc1cc(O)ccc1Cl)c1ccc(Br)cc1 625425209 MVJANWUCBXNJLD-MRXNPFEDSA-N 370.674 3.805 0 40 FHAB O=C(Nc1ccc(-c2ccn[nH]2)cc1)[C@@H]1CCCN1c1nc2ccccc2o1 96122594 MZMGCNSKEYWUDB-SFHVURJKSA-N 373.416 3.825 0 40 FHAB O=C(c1ccc2ccccc2c1)N1CCC[C@]2(CCN2C[C@@H]2CCCO2)C1 585101760 DWYRCNGAGPJNNT-GMAHTHKFSA-N 364.489 3.699 0 40 FHAB C[C@H](NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1cc2ccccc2o1 46690743 MXXAUJTYMPIJNX-RDJZCZTQSA-N 369.465 3.538 0 40 FHAB Cc1c(C(=O)O)sc2nc(-c3cccc(C(F)(F)F)c3)[nH]c(=O)c12 65475847 ZKAJLJHZFFXLDQ-UHFFFAOYSA-N 354.309 3.677 0 40 FHAB O=C(Nc1cccnc1)c1ccc(NC(=O)c2cnc3ccccc3n2)cc1 36763283 VZSUUCLQPVTTGW-UHFFFAOYSA-N 369.384 3.529 0 40 FHAB COC(=O)c1ccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cn1 1903938618 CFODHSMFVHIXAC-UHFFFAOYSA-N 352.387 3.545 0 40 FHAB CC(C)COc1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 981153 GRHFKXXCNHXZIZ-YBFXNURJSA-N 368.408 3.953 0 40 FHAB COc1cc(NC[C@@H](O)CN(CC(C)C)CC(C)C)c2nc(C)ccc2c1 5931180 VPPTWHKMIRXDDL-LJQANCHMSA-N 373.541 3.939 0 40 FHAB OC1(Cn2ccc3nc(Cl)ccc32)CCN(C[C@@H]2CC=CCC2)CC1 12163183 AOZDPYLWGJWJFF-MRXNPFEDSA-N 359.901 3.873 0 40 FHAB COc1cc2c(cc1CN(Cc1ccc(F)cc1)C[C@H]1CCCO1)OCO2 12187070 BXWUSMNZICOWLG-GOSISDBHSA-N 373.424 3.744 0 40 FHAB COc1ccc(C2(NC(=O)c3cc(C4CC4)nn3C)CCCCC2)cc1 12197828 LPDCITIEOQQHMH-UHFFFAOYSA-N 353.466 3.896 0 40 FHAB Cc1cccc(NC(=O)CSCC(=O)N2CCCc3ccccc32)c1 12888372 CEMIERHEERBVPV-UHFFFAOYSA-N 354.475 3.646 0 40 FHAB COc1ccc(CN(Cc2ccccc2OC)C[C@H]2CCCO2)cc1O 13995131 CNYLXBUZVNRDNW-GOSISDBHSA-N 357.450 3.591 0 40 FHAB CCOC(=O)C1=C(C)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1Cl 15016960 PYAFORWRAUGDMQ-CQSZACIVSA-N 357.237 3.917 0 40 FHAB C[C@@H]1Sc2ccc(C(=O)NCCc3cccc(Cl)c3)cc2NC1=O 18105069 FTHNCRQZMZKFNJ-NSHDSACASA-N 360.866 3.745 0 40 FHAB Cn1ccc2c(N3CCC(c4noc5cc(F)ccc45)CC3)ncnc21 1888909607 MOEDTPVSLRPBMD-UHFFFAOYSA-N 351.385 3.633 0 40 FHAB CC1CCN(Cc2ccc(CNC(=O)c3cccnc3S)cc2)CC1 31201959 VYIDOHARJZRLJZ-UHFFFAOYSA-N 355.507 3.532 0 40 FHAB CC(C)Oc1ccccc1CN1CC[C@H]2[C@@H]1CC(=O)N2Cc1ccccc1 1565551742 RGUGBKWQNLXWAA-SFTDATJTSA-N 364.489 3.849 0 40 FHAB O=C(c1c(F)cccc1F)N1CCN=C1SCc1cccc(F)c1 4119880 LZSLTAFXVDAUBT-UHFFFAOYSA-N 350.365 3.849 0 40 FHAB CNC(=O)c1ccsc1NC(=O)c1ccc(C(=O)c2ccccc2)cc1 4275801 VFMCVRRVJZBYAF-UHFFFAOYSA-N 364.426 3.591 0 40 FHAB CSc1cccc(NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)c1 5241099 KMDCTAWAUIYXTI-UHFFFAOYSA-N 365.414 3.503 0 40 FHAB CCc1nnc(-c2cccc(OCC(=O)N3CCCc4ccccc43)c2)o1 12443762 YUFHFROGJWAIRK-UHFFFAOYSA-N 363.417 3.657 0 40 FHAB O=C(O)CCC(=O)Nc1nnc(SCc2cccc3ccccc23)s1 26439464 XLPSUMKZNQFHRC-UHFFFAOYSA-N 373.459 3.787 0 40 FHAB CO[C@H](CNC(=O)CCc1ccccc1Br)c1ccsc1 96120639 HJSHDRGPQLEZQZ-OAHLLOKOSA-N 368.296 3.947 0 40 FHAB CCOC1CCN(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)CC1 50151487 FRNDMHMCJCVNSU-ZDUSSCGKSA-N 369.303 3.591 0 40 FHAB O=C(NC[C@H](O)c1ccccc1)c1cc2occc2n1Cc1ccccc1 40267171 GLWZAMLACWPPFA-FQEVSTJZSA-N 360.413 3.746 0 40 FHAB O=C(Nc1ccccc1)c1ccccc1OCc1cc(=O)n2ccccc2n1 11149169 IOBLZLQKNGUULB-UHFFFAOYSA-N 371.396 3.526 0 40 FHAB CCC(=O)N(Cc1cc2ccc(C)c(C)c2n2nnnc12)C1CCCC1 1367381 XNZSVVJIOGTUGG-UHFFFAOYSA-N 351.454 3.576 0 40 FHAB O=C(c1ccc(O)c(Br)c1)c1cc(Br)ccc1O 1680358 PBKFCHWMYIGUBO-UHFFFAOYSA-N 372.012 3.854 0 40 FHAB CCCCCCn1c(=N)n(C[C@H](O)COc2ccccc2)c2ccccc21 20331916 XWXYTLPJVCGZPU-SFHVURJKSA-N 367.493 3.942 0 40 FHAB O=C(C[C@@H](NCc1ccccc1)C(=O)O)Nc1cc(Cl)ccc1Cl 4280188 KOKXPMUTOOIHKW-OAHLLOKOSA-N 367.232 3.565 0 40 FHAB Cc1noc(C)c1CN(C)C(=O)NCc1cccc(OCC(F)(F)F)c1 45816884 WSTBZRGFJFAQRQ-UHFFFAOYSA-N 371.359 3.574 0 40 FHAB COc1c2c(nc3occc13)[C@](CC=C(C)C)(OC)[C@@H](OC(C)=O)CC2 4540721 OXMDOZHTPUDSEE-OXJNMPFZSA-N 359.422 3.912 0 40 FHAB biogenic COc1cc(NC(=O)Cn2ccc3cc(Cl)ccc32)cc(OC)c1OC 32097454 IDOGRASDSJIQOU-UHFFFAOYSA-N 374.824 3.959 0 40 FHAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1ccccc1Cl)CC(=O)N2 32073208 USBUJBFBTQDYPC-LLVKDONJSA-N 374.231 3.752 0 40 FHAB CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)O)cc2)cc1 6569798 CUJFYBSBLWLFFR-UHFFFAOYSA-N 372.446 3.691 0 40 FHAB CCOc1ccc(Nc2nc(N)nc(COc3ccc(Cl)cc3)n2)cc1 7496437 UUYXATKKLDINQY-UHFFFAOYSA-N 371.828 3.829 0 40 FHAB O=C(Oc1ccccc1Cl)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 7928891 NLEVNYZDJGGKPB-LLVKDONJSA-N 350.201 3.952 0 40 FHAB CCc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1ccccc1 8412919 VZXTWDBIWRQTPU-UHFFFAOYSA-N 368.433 3.540 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2ccc(-n3cccc3)nc2)c(Cl)c1 75108542 XSEUHNCNHLFXLX-UHFFFAOYSA-N 354.797 3.736 0 40 FHAB O=C(Nc1ccc(F)cc1)[C@H](Sc1nccc(O)n1)c1ccccc1 51353960 LIFVSXVAZIXXMW-MRXNPFEDSA-N 355.394 3.793 0 40 FHAB NC(=O)c1ccc(CN(Cc2ccccc2Br)C2CC2)cc1 32764325 RCPXZBDYQRLVSX-UHFFFAOYSA-N 359.267 3.713 0 40 FHAB C[C@@H](Sc1nnc(NC(C)(C)C)s1)C(=O)Nc1cccnc1Cl 32841175 YNZBHODTGBTCIP-MRVPVSSYSA-N 371.919 3.916 0 40 FHAB CSCC[C@H]1NC(=S)N([C@H](C)c2ccccc2C(F)(F)F)C1=O 58377659 QVZWGEQGDDIRBH-BXKDBHETSA-N 362.442 3.605 0 40 FHAB Cc1cc2cc(NC(=O)Cc3csc(NC(=O)C(C)C)n3)ccc2[nH]1 52589232 VOVCMRCJAZIGFI-UHFFFAOYSA-N 356.451 3.709 0 40 FHAB O=C(Nc1cccc2cccnc12)c1ccc(CSc2ncn[nH]2)cc1 32983122 CYVAQRZFLWYOIZ-UHFFFAOYSA-N 361.430 3.898 0 40 FHAB O=C(NCC(F)(F)F)[C@@H]1CCCN1C(=O)Nc1cccc2ccccc12 32935931 IABIRCLXSASNHX-HNNXBMFYSA-N 365.355 3.515 0 40 FHAB C[C@H](NC(=O)CNC(=O)c1cccc(Cl)c1)c1cc2ccccc2o1 8238243 GNDUUJYMICGZPV-LBPRGKRZSA-N 356.809 3.693 0 40 FHAB CC1CCN(CC(C)(C)CN2CCC(O)(c3ccccc3F)CC2)CC1 57823232 RTTGTXOAKJTYPP-UHFFFAOYSA-N 362.533 3.867 0 40 FHAB O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)C1CCC1 8290730 WZVIHQSOBPLSLA-UHFFFAOYSA-N 364.854 3.879 0 40 FHAB CCOC(=O)N1[C@@H](C(C)(C)C)OC(=O)[C@@]1(C)Cc1c[nH]c2ccccc12 22053723 CXJSMIAEGAYRJH-OXQOHEQNSA-N 358.438 3.857 0 40 FHAB in-vitro Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc1 24766516 OFWGQYNLWBAWKI-UHFFFAOYSA-N 357.841 3.534 0 40 FHAB C[C@@H](NC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1F 24953986 MJMPYSYIMRNTNY-HUUCEWRRSA-N 367.428 3.870 0 40 FHAB Cc1nc(-c2ccccn2)sc1C(=O)NC[C@H](c1ccsc1)N(C)C 25331152 FHSRLQVAQQOLKW-OAHLLOKOSA-N 372.519 3.608 0 40 FHAB Cc1nc2ccnn2c(C)c1CCC(=O)N1CCC[C@H]1c1cccc(F)c1 55865165 WNEJCZXHRSHVQU-IBGZPJMESA-N 366.440 3.782 0 40 FHAB Cc1ccc(C)c(NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 10368912 YVHFMFOZTMXVHR-KRWDZBQOSA-N 374.506 3.713 0 40 FHAB Cc1cccc(C)c1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 20490118 JDPWUXGWIBOMDB-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3cc(C)cc(C)c3)n[nH]2)c(OC)c1 57412830 SBNUQEABPYYHJO-UHFFFAOYSA-N 351.406 3.963 0 40 FHAB CCC(=O)Nc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1C 47970058 WPUKXBRFDDWCBI-UHFFFAOYSA-N 366.465 3.698 0 40 FHAB CCCC[C@H](CC)C(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC 2085446 JWBOXGYTHZFQIB-NSHDSACASA-N 355.456 3.785 0 40 FHAB CC[C@H](C(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1)c1ccccc1 58178603 NLPDZTSERSTRPP-FQEVSTJZSA-N 368.452 3.740 0 40 FHAB C[C@H](NC(=O)COC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 3396317 LFUSQKMYXVDEDN-LBPRGKRZSA-N 366.244 3.957 0 40 FHAB O=c1c2[nH]c3ccc(Br)cc3c2ncn1CCc1ccccc1 2286908 KAJNIJAKILVKJO-UHFFFAOYSA-N 368.234 3.883 0 40 FHAB Cc1nc(C(=O)N[C@H](C)c2ccc(Cl)cc2)nn1-c1ccc(F)cc1 12771347 YGFDGLSLUDYFFG-LLVKDONJSA-N 358.804 3.859 0 40 FHAB Cc1ccc(NC(=O)CN(C)C(=O)CCC(=O)c2cc(C)sc2C)cc1 8374586 JABPDIFJWMHMOH-UHFFFAOYSA-N 372.490 3.733 0 40 FHAB CC(C)CN1CCO[C@@]2(CCCC[C@@H]2NC(=O)/C=C/c2cccs2)C1 306132715 LQBGODNFXGGIAW-VSQWLSRBSA-N 362.539 3.547 0 40 FHAB Cc1ccc2nc(C)c(C(=O)N(C)CC(=O)Nc3cccc(F)c3)cc2c1 12900722 ISGLNYAAONZHCO-UHFFFAOYSA-N 365.408 3.701 0 40 FHAB COc1ccccc1NC(=O)[C@H](C)Nc1ccc(F)c(NC(=O)C2CC2)c1 12972859 VVZXTOLLYBQSAU-LBPRGKRZSA-N 371.412 3.622 0 40 FHAB O=C1COc2ccc(C(=O)COc3ccc(Cl)c(Cl)c3)cc2N1 3564568 WRBJXEXAXNDKJF-UHFFFAOYSA-N 352.173 3.586 0 40 FHAB O=c1c2ccccc2nc2n1CCCN2Cc1ccc(Br)cc1 13362394 WUKIOUNDTLMSPE-UHFFFAOYSA-N 370.250 3.569 0 40 FHAB CC(C)(C)C1CCC(NC(=O)CN2CCN(c3ccccc3)CC2)CC1 13323551 PDWCJZOSEWVZIN-UHFFFAOYSA-N 357.542 3.530 0 40 FHAB NC(=O)CSc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 64385047 DDNCBWVMLMJBLL-ZIAGYGMSSA-N 360.866 3.660 0 40 FHAB Clc1ccccc1-c1nnc2n1N=C(c1ccc3c(c1)OCO3)CS2 5046119 LMUOUEQLJGPUKN-UHFFFAOYSA-N 370.821 3.685 0 40 FHAB C[C@@H]1CCC[C@@H]2C1=NN(C(=O)c1cccc(Cl)c1)[C@@]2(O)C(F)(F)F 409173057 LGSYHAFFMJJPAV-BCQZVRRWSA-N 360.763 3.839 0 40 FHAB Cc1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(F)cc2)cc1 4544010 BEUAESDCXGPMLC-UHFFFAOYSA-N 357.381 3.669 0 40 FHAB Cc1c(C)n(Cc2cccnc2)c2ncn3nc(-c4ccccc4O)nc3c12 6673503 AYOZZRITCYUWAI-UHFFFAOYSA-N 370.416 3.512 0 40 FHAB CCN1CCN(c2ccc(NC(=O)c3cccc(OC(C)C)c3)cc2)CC1 4738624 YTHQHKYJEIVSST-UHFFFAOYSA-N 367.493 3.868 0 40 FHAB COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1ccc(C(C)=O)cc1 4783391 UMIARQPJGXQYND-UHFFFAOYSA-N 360.797 3.762 0 40 FHAB CCOc1cccc([C@@H]2C(C(=O)OC)=C(C)Nc3nc4ccccc4n32)c1 4731484 UPANWCDIDYHRAE-LJQANCHMSA-N 363.417 3.897 0 40 FHAB CCC(CC)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccc(OC)cc1 5642612 REPAKQAIRXRIDC-INIZCTEOSA-N 361.467 3.733 0 40 FHAB C[C@@H](OC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccccc1F 5781082 WAEQRQLAEUFMJB-SNVBAGLBSA-N 371.286 3.908 0 40 FHAB CCCCc1ccc(C(=O)COC(=O)/C=C/c2c(C)nn(C)c2C)cc1 5775650 BHIJDVKQYNSTGV-OUKQBFOZSA-N 354.450 3.819 0 40 FHAB Cc1ccc2c(CC(=O)Nc3ccccc3N3CCOCC3)coc2c1 6822521 XQFPZLKMFUVPQO-UHFFFAOYSA-N 350.418 3.759 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H](C)Sc1nnc(-c2cccnc2)o1 7298946 AUVAKACPHPNEGF-LBPRGKRZSA-N 370.434 3.568 0 40 FHAB Cc1cccc(N2N=C(C(=O)Nc3ccc(OC(F)F)cc3)CCC2=O)c1 15797440 RURJKFAKDSMFRX-UHFFFAOYSA-N 373.359 3.718 0 40 FHAB Cc1cc(C(=O)NC2CCCC2)ccc1NCC(=O)N1[C@@H](C)CCC[C@@H]1C 68462403 FGAQQPZENXESDB-IRXDYDNUSA-N 371.525 3.869 0 40 FHAB O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1cc(F)cc(F)c1 16127588 QLTZZRLGFBRCCF-UHFFFAOYSA-N 353.268 3.664 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H]1c1ccc2c(c1)OCCO2 9579321 RKLZZSBMJTYXIL-IBGZPJMESA-N 362.429 3.845 0 40 FHAB Cc1nc(-c2cccc(NC(=O)[C@H]3COc4ccccc4O3)c2)cs1 9516031 YLTZZIQVAXFMDX-GOSISDBHSA-N 352.415 3.897 0 40 FHAB C[C@H](NC(=O)CCC(=O)c1ccc(F)cc1)c1ccc(-n2ccnc2)cc1 9882479 ILFXDSVDVRWJRX-HNNXBMFYSA-N 365.408 3.852 0 40 FHAB C[C@H](O)CC(C)(C)CNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 76085824 OZVGISHMOVTYRC-ZDUSSCGKSA-N 364.873 3.841 0 40 FHAB CC(C)[C@@H]1CN([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CCS1 72304983 KKEYQULHXLGGRT-ZQIUZPCESA-N 354.947 3.979 0 40 FHAB C=C1c2ccccc2C(=O)N1CC(=O)N(CC)C12CC3CC(CC(C3)C1)C2 78390843 ZNYNGHCWSYWYJL-UHFFFAOYSA-N 364.489 3.930 0 40 FHAB CCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 22623923 YZCOIYBCKYVQEN-CYBMUJFWSA-N 364.442 3.545 0 40 FHAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(-n2ccnc2C)nc1 95963930 CDDQFFZSJMYFNK-GOSISDBHSA-N 350.422 3.680 0 40 FHAB C[C@@H](Sc1n[nH]c(-c2ccc3c(c2)OCCO3)n1)C(=O)c1ccccc1 502444817 JTKIEINLBXNLFQ-GFCCVEGCSA-N 367.430 3.606 0 40 FHAB O=C(CN1C(=O)NC2(CCCC2)C1=O)c1ccc(Oc2ccccc2)cc1 31605447 RROXRCOGERPOSW-UHFFFAOYSA-N 364.401 3.526 0 40 FHAB CCSc1nsc(NC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)n1 32593823 LQMKXSXDTLBFNV-UHFFFAOYSA-N 361.448 3.626 0 40 FHAB O=C(CN1CCCC1)Nc1ccc(NC(=O)Nc2ccc(F)cc2)cc1 35315268 GEMJDHMXVLZRHN-UHFFFAOYSA-N 356.401 3.504 0 40 FHAB CCc1ccccc1O[C@@H](C)C(=O)NCc1nc(-c2ccc(C)cc2)no1 78579663 SMLNOYNMZYQLIA-HNNXBMFYSA-N 365.433 3.691 0 40 FHAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(OC)c2)c(C)c1 216369189 UYJDFNCPEBPSGC-CQSZACIVSA-N 357.406 3.586 0 40 FHAB COc1ccc(CN(C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1OC 38754376 RMQJUDFZGDWZEG-CYBMUJFWSA-N 363.841 3.783 0 40 FHAB O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc(-n2cccn2)cc1 36357081 RVEKCQVKVGFLSN-UHFFFAOYSA-N 368.245 3.980 0 40 FHAB CCCCN1CCC(C[C@H]2CC(c3ccccc3C)=NO2)(C(=O)O)CC1 72389724 HEFZYIYSXHQUMY-QGZVFWFLSA-N 358.482 3.845 0 40 FHAB COc1ccc(CNC(=O)c2sc(Cc3ccccc3)nc2C)cc1 31867922 UHIPCDDXLJZHPG-UHFFFAOYSA-N 352.459 3.981 0 40 FHAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 30867633 SABPNMJUZZHYGV-JFIYKMOQSA-N 366.933 3.982 0 40 FHAB O=S(=O)(Nc1nc(C2CCOCC2)cs1)c1sccc1Cl 562706696 GCLMBCHYZSZKDR-UHFFFAOYSA-N 364.901 3.553 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)c(C)c1 44912187 XSJVYBOGFFQNDN-UHFFFAOYSA-N 363.417 3.669 0 40 FHAB COc1ccc(NC(=S)NCCCN2CCCCCC2)c2cccnc12 225402064 DAEOPRMBKXYEFE-UHFFFAOYSA-N 372.538 3.796 0 40 FHAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccccc1 225041835 WOTMVQYYLWXYNS-LJQANCHMSA-N 366.505 3.605 0 40 FHAB O=C(NCCSC(F)(F)F)c1cc(C2CC2)nn1-c1ccccc1 40118582 ADGBYGMAOSUWEM-UHFFFAOYSA-N 355.385 3.733 0 40 FHAB CCCCOc1ccc(/C=C/C(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1 40867890 QXGVKXYYWODBIH-RDPWEWGOSA-N 367.445 3.691 0 40 FHAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(F)(F)F)c2)cc1C 224640215 GVTPFKSQGMBNRE-UHFFFAOYSA-N 359.369 3.848 0 40 FHAB COc1ccc(CC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1C 223173590 JGPMOFISENREEZ-UHFFFAOYSA-N 371.824 3.566 0 40 FHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)n1C 224597384 VDSMNALANHLMBY-RTBURBONSA-N 364.474 3.611 0 40 FHAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cc(F)ccc2F)cc1O 40284409 AWGSZMGRJSUGGW-LBPRGKRZSA-N 371.343 3.988 0 40 FHAB CCOc1ccc(C(=O)N[C@@H](C)COc2ccc(OC)cc2)cc1OCC 225063990 OFYBHJJPAPRHHD-HNNXBMFYSA-N 373.449 3.690 0 40 FHAB COCCNC(=O)c1cc(N)ccc1Nc1ccc(Cl)cc1Cl 225475292 OVUHWPIHQPPGOV-UHFFFAOYSA-N 354.237 3.695 0 40 FHAB COc1ccc(S(=O)(=O)N(C)Cc2cccs2)c(Cl)c1Cl 223718700 JMERVCAZWLZORI-UHFFFAOYSA-N 366.291 3.884 0 40 FHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 225576077 DNUBFGGHFISAQK-QGZVFWFLSA-N 370.468 3.700 0 40 FHAB CC(C)(C)OC(=O)N1CC[C@@H](CNCc2cccc(Br)c2)C1 89223553 SUGRDCYKGDSWBM-AWEZNQCLSA-N 369.303 3.796 0 40 FHAB O=S(=O)(O)c1cccc2c(Br)cc(Br)cc12 98175563 ORZHUGIUKOQNHF-UHFFFAOYSA-N 366.030 3.612 0 40 FHAB Cc1cc(N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)nc(C)n1 585083502 XHVAQGQXYZHXAV-HNNXBMFYSA-N 353.344 3.570 0 40 FHAB CCOC1CC2(CCN(C(=O)[C@@H]3CCCCN3Cc3cccc(C)c3)C2)C1 585082537 FVYGDKFBIXWHNU-QKDPSFTKSA-N 370.537 3.767 0 40 FHAB COc1ccc(CNC(=O)N[C@H](C)Cc2cc3ccccc3o2)cc1OC 253470832 ABBSSZNNEBQQGT-CQSZACIVSA-N 368.433 3.880 0 40 FHAB CC(C)Cc1nc(C(=O)N[C@@H](c2ccc(F)cc2)c2ncc[nH]2)cs1 628771396 BBNXPCISXIWKHH-INIZCTEOSA-N 358.442 3.723 0 40 FHAB COCC[C@@H]1CN(C(=O)CCc2ccccc2Cl)Cc2cccn2C1 585095589 ZJQZUWRLAIINGG-INIZCTEOSA-N 360.885 3.769 0 40 FHAB O=C(c1ccccc1F)N1Cc2cccn2C[C@H](CCOCC2CC2)C1 585095420 QKEICUPMJAPAPC-KRWDZBQOSA-N 356.441 3.716 0 40 FHAB COC(=O)[C@@H]1CN(C(=O)CSc2ccc(C)cc2C)Cc2ccccc21 1543643620 BKBXYDYMYQZIOP-GOSISDBHSA-N 369.486 3.695 0 40 FHAB Cc1nc2c(cc(OCC(=O)NCC(F)(F)F)c3ccsc32)s1 39477634 FSXRJUQKUZRODN-UHFFFAOYSA-N 360.382 3.877 0 40 FHAB COc1ccc(Nc2ncnc3c2c(C)c(C)n3CCCN(C)C)cc1 5346971 LJYIVWGXCMEYPP-UHFFFAOYSA-N 353.470 3.752 0 40 FHAB Cc1cc(C)c(S(=O)(=O)Oc2cc(C)nn2-c2ccccc2)c(C)c1 11691492 QEOUDVVSQLIGSP-UHFFFAOYSA-N 356.447 3.874 0 40 FHAB COc1ccccc1/C=C/CN1C[C@@H]2C[C@H]1C(=O)N2c1ccccc1Cl 12218426 NIXDBIYHHIAGLM-IESGORFISA-N 368.864 3.852 0 40 FHAB O=C(c1ccco1)N1N=C(c2ccco2)C[C@@H]1c1ccc2nccnc2c1 12420749 KWFRYQJKHAFEBZ-QGZVFWFLSA-N 358.357 3.807 0 40 FHAB Cc1c(NC(=S)Nc2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C 13574022 FOKNTEZRYJDVPZ-UHFFFAOYSA-N 372.881 3.947 0 40 FHAB C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc2c(c1)OCO2 14483748 KEASMKUPWHNVNQ-NSHDSACASA-N 362.223 3.598 0 40 FHAB Cc1ccc2c(CC(=O)N3CCCCC[C@H]4NCC[C@@H]43)c(C)[nH]c2c1C 19712382 ABSOCEPJYNFNDB-UXHICEINSA-N 353.510 3.769 0 40 FHAB O=C(NCc1ccccc1N1CCCC1)c1ccc2c(c1)ncn2C1CC1 19714313 RRGZQZKTZVMCNB-UHFFFAOYSA-N 360.461 3.901 0 40 FHAB Cc1cccc(CSc2nnc(Cn3cnc(Cl)c3Cl)n2C)c1 2556023 FNIYUOXDHHVVJM-UHFFFAOYSA-N 368.293 3.967 0 40 FHAB C[C@@H](NC(=O)c1ccc(I)cc1)c1ccccc1F 12775271 RAHYGGVGNGGWTN-SNVBAGLBSA-N 369.177 3.921 0 40 FHAB Cc1cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ncc1F 1888879999 FBALVODZIWHSLO-UHFFFAOYSA-N 367.346 3.510 0 40 FHAB O=C(N[C@H](c1ccccc1)c1ccc(OC(F)F)cc1)C1CCOCC1 23323730 WOCGOVJOXDZFNU-GOSISDBHSA-N 361.388 3.920 0 40 FHAB CCC[C@H](C)NC(=O)c1cc(Cl)ccc1I 31676964 ZGFPSSUISGTZKQ-QMMMGPOBSA-N 351.615 3.863 0 40 FHAB COc1ccc(NC(=O)c2cc(Br)ccc2Cl)c(N)c1 37287603 NMSXKDRSNHSHTG-UHFFFAOYSA-N 355.619 3.946 0 40 FHAB FC(F)(F)c1cccnc1OC[C@@H]1CCCN(c2ncc(Cl)cn2)C1 1776001344 NWJLUKZYSJENMZ-LLVKDONJSA-N 372.778 3.839 0 40 FHAB Cc1nocc1C(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 2037978157 DVUQSEHCJCBJIR-KDOFPFPSSA-N 357.429 3.642 0 40 FHAB CCCOc1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1OC 2302719 QBJAUPMMZKFLBC-LFIBNONCSA-N 355.365 3.968 0 40 FHAB CN(C)[C@H](CNC(=O)Cc1cccc2ccccc12)c1ccc(F)cc1 10329684 MYGNBGPWRZUJJY-OAQYLSRUSA-N 350.437 3.941 0 40 FHAB Cc1cc(-c2nnc(NC(=O)C(c3ccccc3)c3ccccc3)o2)n(C)n1 13614646 HZKLPFUIKIWWHM-UHFFFAOYSA-N 373.416 3.549 0 40 FHAB O=C(NC[C@H]1CCCN(c2nccs2)C1)c1ccc(-n2cccc2)cc1 206834274 PXSWXRXSPMIQEE-MRXNPFEDSA-N 366.490 3.580 0 40 FHAB Cn1ccc2cc([C@@H](O)CNC(=O)C3(c4cccs4)CCCC3)ccc21 245026746 NJUXIXVCLXPICU-SFHVURJKSA-N 368.502 3.901 0 40 FHAB Cc1cccc2sc(NC(=O)c3csc(Nc4ncccn4)n3)nc12 49032202 YFPOVWCVHMXWLU-UHFFFAOYSA-N 368.447 3.847 0 40 FHAB O=C(NC[C@@]1(O)CCc2ccccc21)Nc1cccc(C(F)(F)F)c1 75155795 IFCOKSFCKQKUPI-KRWDZBQOSA-N 350.340 3.661 0 40 FHAB CCOCc1ccccc1CNC(=O)c1ccc(-c2nc(C)no2)cc1 30177651 LSNUWESXWQYNGE-UHFFFAOYSA-N 351.406 3.512 0 40 FHAB CCOc1ccc([C@@H]2CCCN2C(=O)c2cnc3[nH]nc(C)c3c2)cc1 40118672 CMUUSCGTHRSUSB-SFHVURJKSA-N 350.422 3.642 0 40 FHAB CC(C)c1cc(C(C)C)c(S(=O)(=O)NCCC(=O)O)c(C(C)C)c1 799491 NYGCTOFREBGNAX-UHFFFAOYSA-N 355.500 3.810 0 40 FHAB Cc1ccc(NC(=O)Nc2snnc2C(=O)OC2CCCCC2)cc1 1416980 NWUJFNKUKJAMIZ-UHFFFAOYSA-N 360.439 3.980 0 40 FHAB O=Cc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 3386329 UABXKHBXCIUNKD-UHFFFAOYSA-N 352.173 3.601 0 40 FHAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@H]1COc2ccccc2O1 3554634 RJFNMOSPHRGVCQ-MRXNPFEDSA-N 374.368 3.867 0 40 FHAB CCC(C(=O)c1ccc(OC)c(OC)c1)C(=O)c1ccc(OC)c(OC)c1 100802051 YCHUQKYNSZWMRL-UHFFFAOYSA-N 372.417 3.813 0 40 FHAB Cc1nn(-c2ccc(O)nn2)c2c1[C@@H](c1cc(Cl)ccc1F)CC(O)=N2 31819236 BFBFXVPPVUZIFE-LLVKDONJSA-N 373.775 3.592 0 40 FHAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 6168444 VGJVKPFSXLNBIL-LBPRGKRZSA-N 366.870 3.669 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)(C)C)ccc2C)c(C)c1 6368700 YOEPUHDNAUDZDI-UHFFFAOYSA-N 374.506 3.941 0 40 FHAB COC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 6373248 KFSNAKARRAYYOK-UHFFFAOYSA-N 360.218 3.581 0 40 FHAB Cc1cc(C(=O)Cn2nnc3ccccc32)c(C)n1Cc1cccs1 8315011 CRWFBPQZIARLFZ-UHFFFAOYSA-N 350.447 3.842 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 20716775 CWHOCXRIPOKVIW-KXBFYZLASA-N 372.852 3.897 0 40 FHAB CNC(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 45800189 FTYUGYGNGYSPLQ-UHFFFAOYSA-N 374.249 3.546 0 40 FHAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3cccc(C)c3)cc21 8959488 JACRMIHXCXRJIP-UHFFFAOYSA-N 366.461 3.948 0 40 FHAB O=C1COc2cc(C(=O)N(Cc3c(F)cccc3Cl)C3CC3)ccc2N1 32880019 RKSMIGJZHHKQKA-UHFFFAOYSA-N 374.799 3.615 0 40 FHAB Cc1cccc(NC(=O)C[S@@](=O)Cc2csc(-c3ccco3)n2)c1 32801403 PUZRMSOUKUGBGA-XMMPIXPASA-N 360.460 3.599 0 40 FHAB Cc1cnc2c(S(=O)(=O)N(CC(C)C)CC(F)(F)F)cccc2c1 32927712 ZBCXLAIQHQAVGO-UHFFFAOYSA-N 360.401 3.752 0 40 FHAB CCOc1ncccc1C(=O)N1CCCc2cc(OC(F)(F)F)ccc21 32922925 TUIMRFLVKGSJMY-UHFFFAOYSA-N 366.339 3.972 0 40 FHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(-c2ccc(F)cc2)o1 8345601 RGOLJRQDMUPIDH-MRXNPFEDSA-N 367.376 3.998 0 40 FHAB COc1cc(NC(=O)CCn2ccc3ccccc32)ccc1NC(C)=O 53629468 YZAHEHORZAMPBN-UHFFFAOYSA-N 351.406 3.637 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2C)c1 870488 UNCQKMRYFBAXTH-UHFFFAOYSA-N 352.463 3.830 0 40 FHAB CC(C)CN1CCn2c(nc3cc(C(=O)NC4CCCCC4)ccc32)C1 23411548 JHZVPJWHNKUSFX-UHFFFAOYSA-N 354.498 3.570 0 40 FHAB O=S(=O)(Nc1ccn(Cc2cccc(F)c2)n1)c1ccc(Cl)cc1 2804623 HYQAAFWTHVGAGB-UHFFFAOYSA-N 365.817 3.525 0 40 FHAB CC(C)c1noc(CSc2ncnc3c2cnn3-c2ccc(F)cc2)n1 25055576 KALOUYVQAGGESH-UHFFFAOYSA-N 370.413 3.753 0 40 FHAB O=C(Cc1ccc2c(c1)OCCCO2)Nc1nc(-c2ccncc2)cs1 61719886 JXZGUVLOOUJWBD-UHFFFAOYSA-N 367.430 3.548 0 40 FHAB C[C@H](O)c1nc2ccccc2n1C[C@@H](O)COc1ccc(C(C)(C)C)cc1 12507041 ADRSLLHMZWTRNL-DOTOQJQBSA-N 368.477 3.827 0 40 FHAB COc1cccc([C@H](CNC(=O)c2cc(C)sc2C)N2CCCC2)c1 27341518 QDMDFGBKGLEPAC-IBGZPJMESA-N 358.507 3.940 0 40 FHAB Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NCc1nc(C2CC2)no1 58179661 INOZCMYTCOUUHJ-CYBMUJFWSA-N 354.454 3.740 0 40 FHAB OCCCc1nc2ccccc2n1C[C@@H](O)c1cccc(C(F)(F)F)c1 58171534 ONIGGNRWZCXFNB-QGZVFWFLSA-N 364.367 3.714 0 40 FHAB COc1cccc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCC5)C2)c1 2116734 LHBMFQDAJBGJNG-UHFFFAOYSA-N 363.413 3.955 0 40 FHAB biogenic O=C(c1ccccc1O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22956611 HWZRHCIZSALPCW-UHFFFAOYSA-N 372.468 3.940 0 40 FHAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCCc1ccccc1 2205642 DCCKAMZXMMXGPP-UHFFFAOYSA-N 355.825 3.682 0 40 FHAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(O)c(OC)c2)cc1 36359989 BULUNWCISOPSHV-OAHLLOKOSA-N 365.389 3.719 0 40 FHAB Cn1cccc1C(=O)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 3352013 ZJZBLKUJBCFNKV-SFHVURJKSA-N 352.365 3.701 0 40 FHAB CN(C)CCOc1ccc(CNC(=O)c2ccc(Cl)cc2Cl)cc1 48356052 GFINUNSCPIVRMD-UHFFFAOYSA-N 367.276 3.864 0 40 FHAB COc1cc2c(cc1OC)CN([C@@H](C)c1nc(-c3cccs3)no1)CC2 48362129 MYBCKUPWCRQOPC-LBPRGKRZSA-N 371.462 3.935 0 40 FHAB Cc1ccc(Cn2ccc(NC(=O)c3noc4c3C[C@@H](C)CC4)n2)cc1 20367466 GLAJRUOJDSJLPN-AWEZNQCLSA-N 350.422 3.605 0 40 FHAB CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1ccc(OC)c(OC)c1 21307648 DBXOSHLBXINPKG-LJQANCHMSA-N 369.461 3.666 0 40 FHAB O=C(CSc1ncn(-c2ccccc2)n1)c1ccccc1OC(F)F 67737260 FHGPFLPSFHJQJU-UHFFFAOYSA-N 361.373 3.844 0 40 FHAB COc1ccccc1-n1ccnc(NCCc2ccc(Cl)cc2)c1=O 15732434 OKGPQKQMHABMNI-UHFFFAOYSA-N 355.825 3.549 0 40 FHAB O=C(O)C1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 13167346 XHPMQEVQSTWTCB-UHFFFAOYSA-N 369.261 3.661 0 40 FHAB O=C1CCN(C(=O)COc2ccc(Cl)cc2Cl)c2ccccc2N1 15859048 XLPQKXSJNKDROH-UHFFFAOYSA-N 365.216 3.748 0 40 FHAB O=C(NCc1ccccc1F)NC[C@@H]1CCCN(Cc2cccs2)C1 64624152 RQHDAULYGMSJEG-HNNXBMFYSA-N 361.486 3.599 0 40 FHAB Cc1noc(C)c1C(=O)OCC(=O)c1cc(C)n(Cc2ccccc2)c1C 5197871 MDIIKQOLONPVKP-UHFFFAOYSA-N 366.417 3.798 0 40 FHAB COc1cc(C(=O)OCc2cccc(OC)c2OC)ccc1OC(F)F 6236687 IUMGTRZQYXFVNN-UHFFFAOYSA-N 368.332 3.671 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 7974348 BENVRVGUPKFHBI-UHFFFAOYSA-N 367.323 3.934 0 40 FHAB O=C(N[C@@H]1CCCc2ccccc21)C1CCN(C(=O)c2cccs2)CC1 6540030 YYUXJUZUUSIESV-GOSISDBHSA-N 368.502 3.794 0 40 FHAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCc2ccccc2C1 8132597 BAGRWZRUODMHIP-UHFFFAOYSA-N 365.882 3.794 0 40 FHAB O=C(COC(=O)/C=C/c1ccccc1Cl)NC12CC3CC(CC(C3)C1)C2 6643996 RCNWCLBXFATUNP-AATRIKPKSA-N 373.880 3.981 0 40 FHAB COc1cc(NC(=O)COc2ccccc2F)ccc1-c1ccc(CO)o1 20144627 QXYGZHOHRBKECF-UHFFFAOYSA-N 371.364 3.604 0 40 FHAB CCn1nc(NS(=O)(=O)c2ccc(F)cc2)c2cc3ccccc3nc21 16977252 ANSNVTAKNKCHSD-UHFFFAOYSA-N 370.409 3.544 0 40 FHAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1 8715812 XOCFOANPPNSIDI-UHFFFAOYSA-N 369.826 3.546 0 40 FHAB COc1cc(CC(=O)N(C)Cc2ccc(Cl)s2)cc(OC)c1OC 18890237 XYQPTCZNUFPNMZ-UHFFFAOYSA-N 369.870 3.628 0 40 FHAB O=C(CN1CCC[C@H](C(F)(F)F)C1)NCC12CC3CC(CC(C3)C1)C2 8945547 USFYZCUKQPAXRK-KUNBBXKYSA-N 358.448 3.593 0 40 FHAB COC(=O)[C@@]12CCC[C@@H]1CN(C(=O)c1sccc1-c1ccccc1)C2 96007864 XMXZTRGLBGASOQ-FOIQADDNSA-N 355.459 3.830 0 40 FHAB C[C@H]1C[C@@H](C)CN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 28199765 ZWHPDCMVYSWGIE-TXEJJXNPSA-N 364.898 3.789 0 40 FHAB CC(C)c1cc(C(=O)NCCc2nc3ccccc3[nH]2)n(-c2ccccc2)n1 96117380 BCPSDRAVGGSSBY-UHFFFAOYSA-N 373.460 3.845 0 40 FHAB CCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(OC)cc1 9462804 GVXXIZKXRNEDDX-UHFFFAOYSA-N 350.418 3.589 0 40 FHAB CCn1c(CN2CCC[C@H](c3noc(C4CC4)n3)C2)nc2c(F)cccc21 95402230 IPKQXMWUQGDUIZ-AWEZNQCLSA-N 369.444 3.835 0 40 FHAB C[C@H](SCC(=O)N(CCO)C1CCCCC1)c1nc2ccccc2[nH]1 95948695 RSVYWGMQNZUQNJ-AWEZNQCLSA-N 361.511 3.511 0 40 FHAB COCCCNc1ncc(-c2cccc(Cl)c2)c(-c2nccn2C)n1 72391737 WMWKHYAJAIZFAT-UHFFFAOYSA-N 357.845 3.646 0 40 FHAB Cc1ccc(NC(=O)c2nnc(COC(=O)CC3CCCC3)s2)cc1 32903337 LMAHJAKLESHTKM-UHFFFAOYSA-N 359.451 3.722 0 40 FHAB CCOC(=O)c1c(/C=C/c2ccc3c(c2)OCO3)cccc1OC(C)=O 35973534 OCNKZAPTPXVZOF-VQHVLOKHSA-N 354.358 3.688 0 40 FHAB CCN(C)c1ncccc1[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 72212815 PRHRMPBGLPSSRH-LJQANCHMSA-N 373.522 3.762 0 40 FHAB C[C@H](NC(=O)c1cc(-n2cnnc2)ccc1Br)c1ccccc1 35684159 ATDXGPZLXGCHAH-LBPRGKRZSA-N 371.238 3.521 0 40 FHAB Cc1ccc(CN(Cc2ccco2)C(=O)[C@H]2COc3ccccc3O2)cc1 32594224 OLCJUBZCWYZCBI-OAQYLSRUSA-N 363.413 3.957 0 40 FHAB Cc1cc(N)cc2nc(-c3cccc(I)c3)oc12 70461457 AXSMNSHLHJKZFU-UHFFFAOYSA-N 350.159 3.990 0 40 FHAB CCCOCc1cc(C(=O)NCc2ccccc2OC)ccc1OCC 224709985 DWLIMDMKRPAARZ-UHFFFAOYSA-N 357.450 3.951 0 40 FHAB COC(=O)c1cc(NC(=O)[C@](C)(CC(C)C)OC)ccc1OC(C)C 225792488 WEAUYCVKNGLPDN-IBGZPJMESA-N 351.443 3.650 0 40 FHAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCOCC)nc1 225907144 USKQYVDYRGGSPN-LJQANCHMSA-N 352.475 3.811 0 40 FHAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 222445613 SIZKKXXTYBFTHP-KRWDZBQOSA-N 370.518 3.641 0 40 FHAB CCCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1C(=O)OC 225810465 OMLYXIYIOHIQMU-UHFFFAOYSA-N 363.454 3.796 0 40 FHAB COc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1C(=O)N1CCCC1 225959672 MYHPEMGPVSUQOJ-UHFFFAOYSA-N 364.445 3.602 0 40 FHAB CC(C)(C)c1ccc(OCCNC(=O)CCc2ccc3c(c2)OCO3)cc1 224944639 SFJSBWGIMXLGCN-UHFFFAOYSA-N 369.461 3.841 0 40 FHAB Cc1ccccc1CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)C 225698997 PXYIMGRHOYTNST-IBGZPJMESA-N 366.505 3.522 0 40 FHAB Cc1ccc(C(=O)c2ccccc2CN2CCC3(CC2)OCCO3)c(C)c1 85651569 KEYSZDWJDJHAHW-UHFFFAOYSA-N 365.473 3.873 0 40 FHAB CCO[C@@]1(C(=O)Nc2ccc(OCCCN(C)C)cc2)CCC[C@H](C)C1 225715620 PTJFQWOYIGMKLQ-UWJYYQICSA-N 362.514 3.941 0 40 FHAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCOCC)nc1C 225896714 CSTCGFMYIIYQFU-IBGZPJMESA-N 352.475 3.729 0 40 FHAB Cc1ccc(CNC(=O)[C@@H](C)N(Cc2ccc(F)cc2)C(=O)C(C)C)cc1 222911808 RXSYTPMTMWTDJQ-QGZVFWFLSA-N 370.468 3.824 0 40 FHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCOCc1ccccc1 225144241 JIFABHGIUAORTG-KRWDZBQOSA-N 353.462 3.666 0 40 FHAB O=c1c2ccccc2c(O)nn1-c1nnc(-c2ccccc2)c2ccccc12 96305944 QOXMVYOAKJGPHC-UHFFFAOYSA-N 366.380 3.702 0 40 FHAB CCCN1CCC(NC(=O)c2ccc(Br)cc2Cl)CC1 48338688 BJVTZXPDIPQSBH-UHFFFAOYSA-N 359.695 3.707 0 40 FHAB Cc1cc(C)nc(S[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)n1 95481995 OYWSPVQZTXCAOK-INIZCTEOSA-N 354.435 3.862 0 40 FHAB COc1ccc(CN2CC[C@@]3(CCCN(Cc4ccccn4)C3)C2)cc1 96046952 NJAOWTPPKYPKKH-JOCHJYFZSA-N 351.494 3.578 0 40 FHAB Cc1ccc(N2CCC(N(CCc3cccc(F)c3)CC(=O)O)CC2)cc1 257228046 FSCADWHYEDIATD-UHFFFAOYSA-N 370.468 3.732 0 40 FHAB CCc1noc(C)c1C(=O)N1C[C@H]2C[C@H](OCc3ccccc3)C[C@H]2C1 257239817 HQXSSEVNCZWJOS-PIIMJCKOSA-N 354.450 3.613 0 40 FHAB COc1ccc(C)cc1N1C[C@H](c2nc(CC3CCCC3)no2)CC1=O 585085777 XUPMSUOVBGPARN-OAHLLOKOSA-N 355.438 3.640 0 40 FHAB O=C(Nc1ccc(-c2cnc3n2CCC3)cc1)c1cc2ccccc2oc1=O 90607229 MMZORJSMWSYNIT-UHFFFAOYSA-N 371.396 3.855 0 40 FHAB C[C@H]1CN(c2ccc(C(=O)Nc3ccc(C(C)(C)C)nc3)cn2)C[C@@H](C)O1 1304633700 TYDICWNBMYKYKE-GASCZTMLSA-N 368.481 3.640 0 40 FHAB COc1c(F)c(F)cc(C(=O)NCc2ccc(-c3ccoc3)nc2)c1F 390829939 HPNXHZCFZMHXHK-UHFFFAOYSA-N 362.307 3.698 0 40 FHAB CO[C@@](C)(CNC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1F 96123668 HNYGLMCVHXRRQX-CQLMTFPYSA-N 360.473 3.955 0 40 FHAB CCc1ccc(C(=O)N2CC3(C[C@@H](OCc4ccccn4)CS3)C2)cc1 585103699 CZDIKIAGAJVXAD-LJQANCHMSA-N 368.502 3.561 0 40 FHAB O=C(NCCc1n[nH]c(=S)n1C1CC1)c1cc2c(s1)CCCCC2 67093815 IQJUIGRHPKIIRK-UHFFFAOYSA-N 362.524 3.578 0 40 FHAB C[C@H]1C[C@H](Nc2ccc(-c3ncn(C)n3)cc2)CCN1Cc1ccccc1 97371266 TXSSJMGUOVZIRN-LAUBAEHRSA-N 361.493 3.947 0 40 FHAB CCc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[nH]1 11710532 LGVDRWNDRVFWJD-UHFFFAOYSA-N 364.780 3.770 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1cc(C)nc(C)n1 12017011 DGWUMKAITBWZGY-JTQLQIEISA-N 351.859 3.875 0 40 FHAB Cc1cc2nc(NC(=O)CN3CCc4ccccc4C3)sc2cc1C 14608262 VQXBVMDYGSQQRF-UHFFFAOYSA-N 351.475 3.910 0 40 FHAB Cc1csc2c([C@H]3CCN(C(=O)c4cc(C5CC5)on4)C3)nc(C)n12 19240514 BVSRNEARQJHAAX-ZDUSSCGKSA-N 356.451 3.508 0 40 FHAB Cc1nc2ccc(F)cc2cc1C(=O)NCCCn1ccnc1C(C)C 19718112 QLIYDBPYKPIKIZ-UHFFFAOYSA-N 354.429 3.822 0 40 FHAB Cc1cccc(C)c1OCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 1940119 XVASREBOQVRWNS-LLVKDONJSA-N 372.490 3.606 0 40 FHAB CC(=O)N1CCN(C2CCCC2)C[C@@H](Cc2cccc3ncccc23)C1 2037838496 JSZGPAIJJNOPPE-SFHVURJKSA-N 351.494 3.500 0 40 FHAB Cc1cc2cc(CCNC(=O)c3cc4ccccc4o3)c(=O)[nH]c2cc1C 4032770 IHRMJPQLMFAMDL-UHFFFAOYSA-N 360.413 3.864 0 40 FHAB COc1ccc(C(=O)NCCc2csc(-c3ccccc3)n2)cc1OC 4166981 ZSEAJSXTLSKFLA-UHFFFAOYSA-N 368.458 3.800 0 40 FHAB CCOc1ccc(NC(=O)CSc2ccc(-c3cccnc3)nn2)cc1 4391933 UIQWKDRMFOEZSK-UHFFFAOYSA-N 366.446 3.668 0 40 FHAB COc1ccc2sc(N(CCN(C)C)C(=O)c3ccc(F)cc3)nc2c1 5121500 ODNJGFCNJLXZAW-UHFFFAOYSA-N 373.453 3.652 0 40 FHAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCC[C@@H](Oc2ccncn2)C1 575608634 GWJDMYGIRJTHJT-CQSZACIVSA-N 366.343 3.571 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 667450 WFGMSLUKFSBFEX-ZDUSSCGKSA-N 354.834 3.687 0 40 FHAB O=C1CCCN1CCNCc1cc(-c2ccccc2)cnc1-c1ccncc1 12337333 LGSLDOHFCPQOGY-UHFFFAOYSA-N 372.472 3.523 0 40 FHAB O=C(CCCNC(=O)c1ccco1)N[C@H](c1ccc(F)cc1)C1CCCC1 40117437 DBQAETUZUILAMC-FQEVSTJZSA-N 372.440 3.976 0 40 FHAB CC(=O)c1ccc(O[C@H](C)C(=O)NCc2nc3ccccc3s2)cc1 30972045 WDEYOGMLUNIBIA-CYBMUJFWSA-N 354.431 3.583 0 40 FHAB CC[C@]1(C)Cc2c(sc3nc(SC(C)C)nc(NCCO)c23)CO1 2441700 WEZLTWVBQWSHJR-QGZVFWFLSA-N 367.540 3.837 0 40 FHAB COc1cccc(NC(=O)[C@@H](C)Sc2nnc(C3CC3)n2C2CC2)c1 7903652 KOKCKMXXQAKWMR-LLVKDONJSA-N 358.467 3.618 0 40 FHAB CCN(CC)C(=O)CSc1nnc(COc2ccc(Cl)c(C)c2)o1 905456 KLXUPEZNPYBUAE-UHFFFAOYSA-N 369.874 3.571 0 40 FHAB CCCCn1c(Cc2ccccc2)nnc1SCC(=O)NC(C)(C)C 4161288 QKNOXQACDIHDJB-UHFFFAOYSA-N 360.527 3.676 0 40 FHAB COc1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(OCC(C)C)cc2)c1 4332768 GWQBHLCETPZDAS-HNNXBMFYSA-N 371.433 3.914 0 40 FHAB C[C@@H](NC(=O)c1ccc(Cn2ccccc2=O)o1)c1cccc(Cl)c1 29245879 METCNCVJQXQDKE-CYBMUJFWSA-N 356.809 3.634 0 40 FHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)[C@@H]1CCCc2ccccc21 29257501 MNFDMTRHKBXGCA-LJQANCHMSA-N 357.475 3.548 0 40 FHAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccc(O)cc3)o2)c1 4950806 BSEPLCVMTGOIPG-UHFFFAOYSA-N 355.419 3.790 0 40 FHAB O=C(Nc1cc2ccncc2c2ncccc12)N(CCO)C1=CCCC=C1 6269349 ZDQQXLPFVCQTOO-UHFFFAOYSA-N 360.417 3.843 0 40 FHAB CN(C(=O)COc1ccc(-c2nnco2)cc1)[C@@H]1CCCc2ccccc21 7986962 PQQFXBXLSVMJGW-LJQANCHMSA-N 363.417 3.651 0 40 FHAB O=C(c1ccc2ccccc2n1)N1CCN(c2ccc(Cl)cc2)CC1 59897394 DPAZONCJRPEIDJ-UHFFFAOYSA-N 351.837 3.851 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)N(Cc3ccc(F)cc3)C3CC3)cn2)n1 32715518 UMAHXNCPDKJMLU-UHFFFAOYSA-N 364.424 3.828 0 40 FHAB Cn1c(Cc2csc(NC(=O)CCC3CCCCC3)n2)n[nH]c1=S 32787086 FJJIODPGDASQIN-UHFFFAOYSA-N 365.528 3.824 0 40 FHAB COc1ccc(C[C@H]2SC(=O)N(Cc3ccccc3)C2=O)c(OC)c1 8115193 CEPSKMYVVUKLRJ-QGZVFWFLSA-N 357.431 3.511 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(C)cc(=O)oc3c2)c1 8984885 UNWMVJMOYWBMAY-CQSZACIVSA-N 365.385 3.710 0 40 FHAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)NCC(F)(F)F)o2)cc1C 10842971 CMPUKWKGJRDLNU-JTQLQIEISA-N 359.373 3.513 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3nc(C)c(C(C)=O)s3)no2)cc1 11915999 JBVZQZRVOUIZPB-UHFFFAOYSA-N 357.391 3.570 0 40 FHAB CCS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2Cl)cc1 22285882 MPHUPIDGDBYXGZ-UHFFFAOYSA-N 351.855 3.705 0 40 FHAB Cc1cccc(C(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)c1 28230788 OOVBRYYZEMTPEC-UHFFFAOYSA-N 351.372 3.908 0 40 FHAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc2nc(C3CC3)sc2c1 104027496 QUWMDAWJEBNERI-QMMBQJITSA-N 354.431 3.635 0 40 FHAB Cc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1C 849453 FWYOFVWDDLSBHM-UHFFFAOYSA-N 374.868 3.811 0 40 FHAB CCOc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)c1 849408 JVMHQPJTKGICMA-UHFFFAOYSA-N 360.841 3.828 0 40 FHAB CCn1c(SCC(=O)NCC(C)C)nnc1[C@@H]1C[C@@H]1c1ccc(C)cc1 2793454 YJAOWMCCPAKIKV-IAGOWNOFSA-N 372.538 3.742 0 40 FHAB O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(Br)cc1 1099666 HPKRGOFJKYQCJG-UHFFFAOYSA-N 374.278 3.927 0 40 FHAB Cc1ccc(-c2nnco2)cc1NC(=O)Cc1ccc(Br)cc1 47320841 CWJTXCIQVJZSAF-UHFFFAOYSA-N 372.222 3.989 0 40 FHAB Cc1ccccc1CN1CC[C@@]2(COCc3cnc(-c4cccnc4)nc32)C1 107248550 PKVOCIQBDCMKIS-QHCPKHFHSA-N 372.472 3.521 0 40 FHAB Cn1c(=O)n(C)c2cc(CNC34CC5C[C@](C)(C3)C[C@@](C)(C5)C4)ccc21 16606073 XVONFMYYKZXHKZ-NJMHRBNOSA-N 353.510 3.716 0 40 FHAB Cc1ccc(Nc2nc(C(N)=O)c(NC(=O)C3CCCCC3)s2)cc1 12461672 YKKSMYLEENIJBT-UHFFFAOYSA-N 358.467 3.813 0 40 FHAB O=C1OCC2=C1[C@@H](c1ccccc1F)CC(=O)N2c1cccc(Cl)c1 1427590 DWQZTJKJAKEXTE-CQSZACIVSA-N 357.768 3.811 0 40 FHAB Cc1ccccc1C(=O)Oc1ccccc1N1C(=O)[C@H]2CCCC[C@H]2C1=O 102083238 LCIDQXBPPHBJIN-CALCHBBNSA-N 363.413 3.894 0 40 FHAB COc1ccc(OCCC(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 25442006 ORBMBEHVSUANTG-UHFFFAOYSA-N 369.339 3.679 0 40 FHAB CC(=O)Nc1ccc(F)c(NCc2nc(-c3ccc(C)c(F)c3)no2)c1 44088482 ZXZPKGSLSPKLMZ-UHFFFAOYSA-N 358.348 3.894 0 40 FHAB O=C(Nc1ccccc1)[C@H](NC[C@@H]1COc2ccccc2O1)c1ccccc1 57352276 SDPRPTRHGZCLGG-DENIHFKCSA-N 374.440 3.796 0 40 FHAB O=C1N/C(=C/c2ccc(Br)s2)C(=O)N1Cc1ccccc1 409236347 FCHLRXDGKRLRDZ-XYOKQWHBSA-N 363.236 3.604 0 40 FHAB CC(=O)Nc1ccc(CNC[C@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 58195482 SPMFJIKRJAKNLQ-MRXNPFEDSA-N 359.420 3.539 0 40 FHAB O=C(COc1ccccc1)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O 2195569 OJBJVDSQMUWLIF-UHFFFAOYSA-N 372.380 3.505 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1 10334863 IVATYRGGGFOCHF-UHFFFAOYSA-N 352.434 3.711 0 40 FHAB COc1ccc(CNC(=O)c2cnc(SC)n2-c2ccc(F)cc2)cc1 3383332 ZJCPPMXZLHTPEJ-UHFFFAOYSA-N 371.437 3.672 0 40 FHAB O=C(Cc1ccco1)N1CCC[C@H]1c1ncn2cc(-c3cccnc3)ccc12 306130973 JTULWPXTPOSGHE-FQEVSTJZSA-N 372.428 3.896 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)c1cc2cnn(C(C)C)c2nc1C 10446772 YPSMOBDMEKSUCW-CYBMUJFWSA-N 352.438 3.820 0 40 FHAB CCCCc1nc2sc3c(N(CC)CCO)ncnc3c2c2c1CCC2 2234524 ANIOHBXOLLQXLI-UHFFFAOYSA-N 370.522 3.889 0 40 FHAB OC1=Nc2nc(N3CCOCC3)sc2[C@@H](c2ccc(F)cc2Cl)C1 36359952 KAAIXCRYBNOTHF-LLVKDONJSA-N 367.833 3.896 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 12787532 WXIBVYWJCZHHCZ-CYBMUJFWSA-N 360.841 3.886 0 40 FHAB O=C(Nc1nc2c(s1)CCCCC2)c1cnn(Cc2ccccc2)c1 12829144 SKIUXYNKHUDZKJ-UHFFFAOYSA-N 352.463 3.909 0 40 FHAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1cc(C)on1 60387205 VOYAOZMKEOAKRH-UHFFFAOYSA-N 370.236 3.781 0 40 FHAB O=C(C1CCCC1)N(Cc1ccccc1)Cc1nc2ccsc2c(=O)[nH]1 12928521 UZAGKFBYKWHWEB-UHFFFAOYSA-N 367.474 3.704 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(C)cc(=O)oc3c2)cc1F 13011879 OMWAMKDOQUYMRV-ZDUSSCGKSA-N 355.365 3.955 0 40 FHAB Cc1cc2ccccc2n1CC(=O)NC1CCN(CC2CCCC2)CC1 63272997 LQJUJJKTXHJSGM-UHFFFAOYSA-N 353.510 3.721 0 40 FHAB O=C(NCc1ccco1)/C(=C/c1ccccc1F)NC(=O)c1ccccc1 13775375 AONZUIIOSZJKCD-UYRXBGFRSA-N 364.376 3.506 0 40 FHAB CCOc1ccc(-n2nnc(C(=O)Nc3ccc(Cl)cc3)c2C)cc1 4314948 MHLPQOKZHRYYGH-UHFFFAOYSA-N 356.813 3.880 0 40 FHAB COc1ccc(CNC(=O)[C@H](C)Sc2ccc3c(c2)OCCCO3)cc1 6436812 RMELYXKLIFTLHP-AWEZNQCLSA-N 373.474 3.654 0 40 FHAB Cc1ccc(-c2csc3ncn(CC(=O)c4ccc[nH]4)c(=O)c23)cc1C 6589524 CJJAEZUPSCOYLC-UHFFFAOYSA-N 363.442 3.953 0 40 FHAB C[C@H](OC(=O)c1ccco1)c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 5666143 ONTJXQQTDFXBRW-ZJUUUORDSA-N 358.419 3.620 0 40 FHAB CCCNC(=O)c1cc(S(=O)(=O)Nc2cc(C)ccc2C)ccc1C 408612001 XVBKHRXJHSDTAQ-UHFFFAOYSA-N 360.479 3.552 0 40 FHAB Cc1c(C(=O)Nc2ccc(F)cc2)sc2nc3n(c(=O)c12)CCCCC3 6840339 SZBZEZRHTMQYLG-UHFFFAOYSA-N 371.437 3.884 0 40 FHAB COc1cc(C(=O)NCCc2ccccn2)ccc1OCc1ccccc1 6919852 IDMCSMNZBQINKK-UHFFFAOYSA-N 362.429 3.642 0 40 FHAB CNc1nnc(SCC(=O)N2CC[C@H](C)Sc3ccccc32)s1 7102694 WZPSIYDSHMJKDL-JTQLQIEISA-N 366.537 3.589 0 40 FHAB C[C@@H](OC(=O)c1cc2c(s1)CCCC2)C(=O)Nc1cccnc1Cl 7256779 MIYISZPURHIHFQ-SNVBAGLBSA-N 364.854 3.859 0 40 FHAB CC(C)[C@@H](OC[C@@H]1CCCO1)C(=O)NCc1ccc(C(F)(F)F)cc1 67824951 SYDVHNXKQMGHNL-JKSUJKDBSA-N 359.388 3.542 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nc(-c3ccccc3)n[nH]2)c1C 7763931 AZYDCBBQRAYTED-CYBMUJFWSA-N 368.462 3.983 0 40 FHAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)NC(=O)CO2 26757755 QPHCHTLZPFNYPK-CYBMUJFWSA-N 368.433 3.721 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cnc(SC)n2-c2ccccc2)c1 9156857 GLPGTRLCNXZILX-UHFFFAOYSA-N 369.446 3.864 0 40 FHAB CC(=O)Nc1ccc2c(c1)CC1(C(=O)CC(C)(C)CC1=O)[C@H]1CCCCN21 9423411 CGGADLZDEJUMFO-GOSISDBHSA-N 368.477 3.505 0 40 FHAB C[C@H]1CC(=O)NCCN1c1ncnc2scc(-c3ccc(Cl)cc3)c12 71889401 ROIPMZGENZSYRH-NSHDSACASA-N 372.881 3.727 0 40 FHAB C[C@H]1CCCN(C(=O)COC(=O)c2ccccc2Oc2ccccc2)C1 89929787 NYGCGIPFIMZZJA-INIZCTEOSA-N 353.418 3.894 0 40 FHAB CCc1nncn1CCNc1nc(C)nc2sc(-c3ccccc3)cc12 72302141 GYAQWFUMMJJHSW-UHFFFAOYSA-N 364.478 3.933 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@H]1CCCOc2cc(F)ccc21 95464536 OLWDMSWHRDZCBN-INIZCTEOSA-N 366.392 3.828 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2cnc(N3CCCCC3)c(C)c2)c1 95462454 WIMOYNJNLBZUQE-UHFFFAOYSA-N 355.438 3.650 0 40 FHAB O=C(NC[C@H]1CCN(c2ccccc2)C1)N[C@@H](C1CCCC1)C(F)(F)F 95942326 GRTXTPCQUUMRMH-PBHICJAKSA-N 369.431 3.933 0 40 FHAB CCc1ccc2oc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)c(C)c2c1 62714983 XJTGZWFZWQTTGU-QGZVFWFLSA-N 351.402 3.729 0 40 FHAB COC[C@H](C)NC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 21870765 YDJCFWVWKHSNQL-AWEZNQCLSA-N 350.418 3.675 0 40 FHAB O=C(c1ccc(F)cc1)N1CC[C@]2(CCn3c(-c4cccs4)cnc32)C1 306144324 ZCJIZWXZEFUPDM-FQEVSTJZSA-N 367.449 3.938 0 40 FHAB CC(C)Oc1ccc(NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc1 408709577 UIJMEDALQCXSGU-UHFFFAOYSA-N 354.450 3.852 0 40 FHAB COCCCOc1cnc(-c2noc(-c3cccc4ccccc34)n2)cn1 518264411 NIQFCOZMMAYCLU-UHFFFAOYSA-N 362.389 3.762 0 40 FHAB CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(Cc1cccnc1C)CC2 548349698 RFUABDABIMBUII-FQEVSTJZSA-N 369.534 3.855 0 40 FHAB Cc1ccccc1COc1ccc(C=O)cc1I 216810377 OOLBXBQQROFMGV-UHFFFAOYSA-N 352.171 3.991 0 40 FHAB CC[C@H](NC(=O)c1cc(C)nc2ncnn12)c1ccc([C@H](C)CC)cc1 36619530 PUYCXWTWIUOYPK-DYVFJYSZSA-N 351.454 3.827 0 40 FHAB O=C(O)c1ccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 39759589 QWKKLQKSFXQECB-UHFFFAOYSA-N 372.852 3.889 0 40 FHAB Clc1cc(Cl)cc(-c2nnc3sc(-c4csnn4)nn23)c1 36359652 UUEXUEVMOOHJRT-UHFFFAOYSA-N 355.235 3.678 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1C 219515744 UAKLVRBMXCUEPX-MRXNPFEDSA-N 352.434 3.836 0 40 FHAB Cc1cc(C(F)(F)F)nn1CC(=O)N1CCCCC[C@@H]1c1ccco1 558547096 KRZDXEASEVIGNI-CYBMUJFWSA-N 355.360 3.947 0 40 FHAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1n[nH]c(C(F)(F)F)n1 36714268 ZUTKHOGKBWCPMH-LURJTMIESA-N 350.753 3.596 0 40 FHAB Cc1cccc(C(=O)N[C@@H](C(=O)OCCOc2ccccc2F)C(C)C)c1 32910641 CYEIEJRQIAYAAR-LJQANCHMSA-N 373.424 3.511 0 40 FHAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1nc(-c2ccccc2)no1 219598381 LJWHBFNMGQRBID-KRWDZBQOSA-N 351.406 3.519 0 40 FHAB Cc1ccc(-c2nc3cc(N4C[C@H](C(=O)O)CC4=O)ccc3o2)c(C)c1 70461272 MDCNSPNWYOIWDU-CYBMUJFWSA-N 350.374 3.549 0 40 FHAB CCCNC(=O)c1ccc(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)cc1 40156888 YDCCVJCYYDWRIM-SFHVURJKSA-N 354.475 3.790 0 40 FHAB CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCc1ccc(Cl)cc1 222898827 DZYZFKKOHCLORW-CYBMUJFWSA-N 362.832 3.533 0 40 FHAB Cc1ccccc1CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCC(C)C 224110726 GHEPDJALYLDNIW-IBGZPJMESA-N 366.505 3.727 0 40 FHAB Cc1cccc(CN2CCC(C(=O)NCCOc3ccc(F)cc3)CC2)c1 224529811 JSVQNPCDQGRMIC-UHFFFAOYSA-N 370.468 3.541 0 40 FHAB COC[C@H](C)NC(=O)c1ccc(OC)c(COc2ccccc2Cl)c1 224140600 UQOIBSCWDXHCQF-ZDUSSCGKSA-N 363.841 3.692 0 40 FHAB CC(=O)Nc1cccc(-n2c(C)nnc2SCCc2ccccc2)c1 40067330 MGWAYLGDSSLADO-UHFFFAOYSA-N 352.463 3.869 0 40 FHAB COc1ccc(NC(=O)c2ccc(O[C@@H]3CCSC3)nc2)cc1Cl 225714985 HVUSLNWZEXVLBQ-CYBMUJFWSA-N 364.854 3.880 0 40 FHAB COc1ccc(OC)c(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)c1 224583963 HYECKNISZUELLG-UHFFFAOYSA-N 373.430 3.666 0 40 FHAB Cc1ccc(CN2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)s1 96050623 XMHWAZOJBMGDMK-FQEVSTJZSA-N 358.482 3.820 0 40 FHAB O=C(c1cncnc1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257200958 AFNGMTNLDZIHJP-SFHVURJKSA-N 366.396 3.562 0 40 FHAB COc1ccccc1Cc1cnc([C@@H]2CCCN2c2ccnc(C)n2)o1 257242286 IBUBSGGEWSURQP-KRWDZBQOSA-N 350.422 3.714 0 40 FHAB Cc1cnc(Nc2nccnc2[C@H]2CCCN(CC3CCOCC3)C2)s1 257300644 RVEFQWBZYQMELU-INIZCTEOSA-N 373.526 3.591 0 40 FHAB CC(C)c1nc(N(C)C)nc(N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)n1 680378841 OOUSGBITXLESSE-IRXDYDNUSA-N 373.476 3.557 0 40 FHAB CC(C)Cc1nc(C(=O)N[C@H](c2ccc(F)cc2)c2ncc[nH]2)cs1 628771400 BBNXPCISXIWKHH-MRXNPFEDSA-N 358.442 3.723 0 40 FHAB O=C1C[C@@H](c2cccc(NC(=O)[C@H]3CCCC[C@H]3C(F)(F)F)c2)CN1 632004125 ZCJGPSTYVFUQDR-VHDGCEQUSA-N 354.372 3.597 0 40 FHAB O=C(/C=C/c1cccs1)NCCn1nc(C(F)(F)F)cc1C1CC1 96103724 KAVRHKGOBPBWJP-AATRIKPKSA-N 355.385 3.670 0 40 FHAB CCc1c(NC(=O)N(C)CC2=CCCOC2)cnn1-c1ccc(Cl)cc1 585101498 ZXGCWAARHUMBRW-UHFFFAOYSA-N 374.872 3.899 0 40 FHAB O=C(c1csc(-c2ccccc2)n1)N1CC[C@H](Oc2nccs2)C1 585320640 MEBQDAJPXCBQPR-ZDUSSCGKSA-N 357.460 3.560 0 40 FHAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(F)cc2)cc1 5754046 NQOGZCITMIXLMW-UHFFFAOYSA-N 373.380 3.578 0 40 FHAB C[C@H](Oc1cccc2c1CCC2=O)C(=O)Nc1cccc(Br)c1 11100623 ZFJGQOYVLOKCIS-NSHDSACASA-N 374.234 3.984 0 40 FHAB O=C(c1nccs1)C1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 12142737 RXLIAYQBAIWYTF-UHFFFAOYSA-N 366.845 3.600 0 40 FHAB CC1CCN(C(=O)c2cc(-c3ccncc3)c(N3CCOCC3)s2)CC1 12222026 LALZPNXLQIHAEI-UHFFFAOYSA-N 371.506 3.519 0 40 FHAB CCc1c(C)nc2cc([C@H]3CCN(Cc4ccc(F)c(F)c4)C3)nn2c1O 12276372 LEFNFKYOZNCZSY-AWEZNQCLSA-N 372.419 3.573 0 40 FHAB O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2)c1ccccc1 12293324 OSRVTZRKUNSAPD-MOPGFXCFSA-N 373.880 3.724 0 40 FHAB Cc1nn(CC(=O)N[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)c(C)c1C 12366610 HTUHXQDHAIQYAK-LGGPRVQUSA-N 351.494 3.897 0 40 FHAB C[C@@H](OC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)c1ccc(F)c(F)c1 12776042 JUOSBVJVBVZMMY-GFCCVEGCSA-N 373.355 3.520 0 40 FHAB Cc1cc(C(=O)COC(=O)c2cnn(C)c2)c(C)n1CCC1=CCCCC1 12850298 GTKOSVWTMWTJNQ-UHFFFAOYSA-N 369.465 3.769 0 40 FHAB CCc1ccc(N2C[C@H](c3nc(-c4ccccc4F)no3)CC2=O)cc1 13036969 FXSFTHXIYIHRJZ-CQSZACIVSA-N 351.381 3.959 0 40 FHAB CC(C)NC(=O)c1ccccc1NC(=O)COc1cccc2ccccc12 13684130 ZSXXZWZGXXGNED-UHFFFAOYSA-N 362.429 3.996 0 40 FHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1F)N(C)Cc1ccc2c(c1)OCO2 15029517 NXMYUJPJCOQZQA-NSHDSACASA-N 364.804 3.667 0 40 FHAB Cc1ccc(NC(=S)N2CCC(NC(=O)c3ccc(C)cc3)CC2)cc1 15935823 NEAQVOQJUFLOER-UHFFFAOYSA-N 367.518 3.895 0 40 FHAB Cc1ccc(CC(=O)N[C@H]2CCCc3nc(-c4cccnc4)ncc32)cc1 19209975 KSXKUPKBYYGOKA-IBGZPJMESA-N 358.445 3.583 0 40 FHAB O=C(c1cc(-c2ccccc2F)no1)N1CCCC[C@@H]1CCN1CCCC1 19368326 YQSCSQOWHOTZAJ-MRXNPFEDSA-N 371.456 3.961 0 40 FHAB O=C(Nc1nc(-c2ccccc2F)cs1)c1nn2cccnc2c1Cl 19368439 KFJARHXHFPOCOU-UHFFFAOYSA-N 373.800 3.898 0 40 FHAB CCn1nc(C)c(NC(=O)CCn2c(C(F)F)cc3cccnc32)c1C 19523849 JNEAGRDBQDOKFQ-UHFFFAOYSA-N 361.396 3.836 0 40 FHAB Cc1noc2nc([C@H]3CCCN(C(=O)c4ccncc4)C3)cc(C(F)F)c12 19564196 FXOFTSVLYNOSMI-ZDUSSCGKSA-N 372.375 3.884 0 40 FHAB O=C1COc2cc(NC(=O)c3cc(C4CC4)nc4ccccc34)ccc2N1 19663498 LZFRJRHDFBWIMD-UHFFFAOYSA-N 359.385 3.695 0 40 FHAB CCOc1ccccc1Cc1ccc([C@@H]2CN(CC3CC3)CCO2)nc1 19692854 KZNGYDFHSJSALS-QFIPXVFZSA-N 352.478 3.854 0 40 FHAB c1cc(NCc2ccc(-n3cccn3)cc2)cc([C@@H]2CCc3nncn3C2)c1 19699110 VSZKWYGDLSOPDI-LJQANCHMSA-N 370.460 3.806 0 40 FHAB CCN(C(=O)C(C)C)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C)CC2)C1 19712760 OVSVTLSEXGGKIT-PMACEKPBSA-N 358.526 3.876 0 40 FHAB COCc1ccc(CNC(=O)c2cc(F)ccc2Br)cc1 36398518 VIIZCYXRUWCVKH-UHFFFAOYSA-N 352.203 3.665 0 40 FHAB CS(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2)C2CC2)ccc1Cl 25879243 HXKOPZURHSYBOS-KRWDZBQOSA-N 363.866 3.625 0 40 FHAB CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3cccc(C)c3)ccc21 8840742 KSOWQBBAQGEMQD-UHFFFAOYSA-N 372.490 3.875 0 40 FHAB CCOc1ccc(C(=O)N2CCO[C@H](c3ccccc3)C2)cc1OCC 35594953 JPXSYVZGVNGWIO-FQEVSTJZSA-N 355.434 3.698 0 40 FHAB Cn1nccc1-c1cncc(CNC(=O)NCc2cccc3ccccc23)c1 575617607 YDYIWCNLILQNNF-UHFFFAOYSA-N 371.444 3.635 0 40 FHAB CCCOc1cccc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2C)c1 6569872 OALJBXRWCVMKIR-UHFFFAOYSA-N 372.446 3.609 0 40 FHAB O=C(CN1C(=O)c2cccc3cccc1c23)NCCSC1CCCCC1 2478201 YGEXLWWUAXKXFF-UHFFFAOYSA-N 368.502 3.982 0 40 FHAB CC[C@]1(C)Cc2c(sc3nc(SCCCC(C)=O)nc(N)c23)CO1 2418811 OTDCLHKOLCHFQZ-QGZVFWFLSA-N 365.524 3.976 0 40 FHAB Cc1ccc(CSc2nc3sc4c(c3c(=O)n2N)CCCC4)cc1 36646173 DJCNEDHTHNJKOA-UHFFFAOYSA-N 357.504 3.651 0 40 FHAB COc1cccc(Oc2c(C)oc3cc(O[C@H](C)C(=O)O)ccc3c2=O)c1 941310 HLUORTAUZUVICU-GFCCVEGCSA-N 370.357 3.754 0 40 FHAB Cc1cnc(C(=O)OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)cn1 3513299 YMWNTTQGVVFPQO-UHFFFAOYSA-N 352.390 3.680 0 40 FHAB Cc1cc(C)c(COc2ccc([C@H]3N[C@@H](C(=O)O)CS3)cc2)c(C)c1 6418518 YFVUJXOVGOUYJJ-MOPGFXCFSA-N 357.475 3.979 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 7655504 VWPNKSOABISMPP-ZDUSSCGKSA-N 358.825 3.649 0 40 FHAB COc1ccc(-c2nnc(SC(=O)c3ccc(C)cc3)o2)c(OC)c1 7939507 ZHPNBPPLEKVQLL-UHFFFAOYSA-N 356.403 3.995 0 40 FHAB CCCCCC(=O)Nc1cc(-c2nn3c(CC)nnc3s2)ccc1OC 10010257 MXCZHVQUZMVGAW-UHFFFAOYSA-N 373.482 3.943 0 40 FHAB O=C(Cc1c(F)cccc1Cl)NCCCN1CCc2ccccc2C1 32398881 KNCHAGWCQBXOTM-UHFFFAOYSA-N 360.860 3.586 0 40 FHAB O=C(c1ccc(Cl)cc1)N1CCCC[C@H](Sc2nncs2)C1=O 8132913 JMLCYJRILZZSQZ-LBPRGKRZSA-N 367.883 3.505 0 40 FHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1 8414682 KVZGMSNWVMCIAW-UHFFFAOYSA-N 374.824 3.549 0 40 FHAB Cc1ccc(N(CCCC(=O)Nc2cccc(C)c2C)S(C)(=O)=O)cc1 8499838 IQGLGLPJBKIVMN-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB Cn1cc(C(=O)NCCc2ccc(Br)s2)c2ccccc21 10501990 BYRCXHFUAAVUGX-UHFFFAOYSA-N 363.280 3.975 0 40 FHAB COc1ccc(CCCNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 10543167 NJZYDKZSMWCTCS-UHFFFAOYSA-N 374.289 3.913 0 40 FHAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N(C)CC(=O)Nc2cccc(F)c2)o1 32836624 GXXNPYFLEBYCFA-QSQAAJAESA-N 356.397 3.652 0 40 FHAB COc1cccc(Cn2nccc2NC(=O)CCc2cccs2)c1OC 21677879 RQCQRXBYBCRYKE-UHFFFAOYSA-N 371.462 3.581 0 40 FHAB CC(C)[C@@H](C(=O)N1CCN(c2ccccc2)CC1)n1cnc2ccccc21 32932490 XKGMGGDDPWYJQA-NRFANRHFSA-N 362.477 3.582 0 40 FHAB O=C(NCc1ccccc1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 32908053 CLTNBHVMCBYWRP-UHFFFAOYSA-N 373.456 3.507 0 40 FHAB CCCCCn1cnnc1S[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 7134922 OAMJFLJTLYFRJJ-CQSZACIVSA-N 360.483 3.790 0 40 FHAB COc1cc(CN(C)CC(=O)Nc2ccc(C)cc2)ccc1OC(F)F 2650862 PAPRBBICAUXRFN-UHFFFAOYSA-N 364.392 3.676 0 40 FHAB COc1cccc(OCc2nc3c4c5c(sc4ncn3n2)CCCC5)c1 2796834 JJWBAXGNWUXDOV-UHFFFAOYSA-N 366.446 3.805 0 40 FHAB COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1OC 656993 DUBFURZBBCTIOR-UHFFFAOYSA-N 362.234 3.811 0 40 FHAB Cc1occc1-c1nnc(S[C@H](C)C(=O)NCC2CCCCC2)n1C 7236559 OSTOGLSZOICDLE-CYBMUJFWSA-N 362.499 3.561 0 40 FHAB O=C(OCc1ccc(F)cc1Br)c1ccc2nccnc2c1 12266628 IPGQRPFLTPEFDP-UHFFFAOYSA-N 361.170 3.888 0 40 FHAB C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1F 23994064 MZVOSBUCKGCXSM-ZDUSSCGKSA-N 351.418 3.954 0 40 FHAB Nc1c(Cl)cc(NC(=O)c2ccc(N3CCOC3=O)cc2)cc1Cl 42998775 BKAGTZQWWIWWIL-UHFFFAOYSA-N 366.204 3.785 0 40 FHAB C[C@@H](NC(=O)c1cccc(Nc2cnccn2)c1)[C@H]1COc2ccccc21 89894439 FYVPXPGKENLTGN-RDTXWAMCSA-N 360.417 3.515 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)NCC1(c2cccc(F)c2)CCOCC1 55450771 LMOLIOFXPOQGIH-UHFFFAOYSA-N 366.436 3.714 0 40 FHAB O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1cccc(Cl)c1 20528629 PLLCVZHZSPBYOC-UHFFFAOYSA-N 355.810 3.759 0 40 FHAB CC[C@@H](CNC(=O)CCc1cccc(OC)c1)N1CCc2ccccc2C1 29911557 JYFAVUKULSAHFR-NRFANRHFSA-N 366.505 3.581 0 40 FHAB Cc1cccc(C(=O)N2CCCC2)c1NCc1nc(-c2ccsc2)no1 55852068 AKJVBTHOYVKSMV-UHFFFAOYSA-N 368.462 3.955 0 40 FHAB CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2cccc3cn[nH]c23)cc1 25584814 ZCPGTOQHTJSBOT-UHFFFAOYSA-N 366.421 3.840 0 40 FHAB COc1ccc(C)cc1CN(C)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 57547657 COLLDKCKVMOWGU-HXUWFJFHSA-N 356.441 3.594 0 40 FHAB O=C(Nc1cnc2ccccc2c1)c1nc(N2CCCC2)ncc1Cl 44409212 WUBHDXNSIJLZQI-UHFFFAOYSA-N 353.813 3.531 0 40 FHAB Cc1ccc(-c2cnc3n2C2(CCN(Cc4ccncc4)CC2)COC3)cc1 306136556 PWXBEEDANOXFPH-UHFFFAOYSA-N 374.488 3.775 0 40 FHAB COc1cc(/C=C2/N=C(c3cccs3)OC2=O)ccc1OC(F)F 3320982 XASDGYGUKIFMEA-JXMROGBWSA-N 351.330 3.703 0 40 FHAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N2CC[C@@H](c3ccccc3)C2)c1 58226453 MYNAFFHRPDBVSQ-DNVCBOLYSA-N 351.450 3.905 0 40 FHAB C[C@H](CCc1ccco1)NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1 12782175 VHHZIXJIGDTXJI-MRXNPFEDSA-N 374.444 3.824 0 40 FHAB Cc1ccccc1[C@H](C)NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C 12780472 DQSGKBWIBYHYIE-HNNXBMFYSA-N 361.445 3.858 0 40 FHAB COc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc(C)c(F)c4)C3)n2)cc1 10336639 RQKASLAXCLUCPJ-CQSZACIVSA-N 367.380 3.713 0 40 FHAB Cc1cc(N[C@H](C)C(=O)Nc2ccccc2F)ccc1N1CCCC1=O 10745939 TVXPIHIZIRACFF-CQSZACIVSA-N 355.413 3.700 0 40 FHAB COc1ccccc1CCNS(=O)(=O)c1ccc(Cl)c(Cl)c1 16090812 ZUSSDZQRPZAJIM-UHFFFAOYSA-N 360.262 3.523 0 40 FHAB CCOc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1 13016947 WTYPEXNTXRFSMT-AWEZNQCLSA-N 358.463 3.638 0 40 FHAB Cc1ccc(C)n1-c1sccc1C(=O)OCC(=O)N(C(C)C)C(C)C 7781667 QVSVWLFCJGYNBB-UHFFFAOYSA-N 362.495 3.958 0 40 FHAB O=C1c2ccccc2N[C@@H](c2cccnc2)N1Cc1ccc2c(c1)OCO2 7885229 DQHVILSPELQVDO-HXUWFJFHSA-N 359.385 3.577 0 40 FHAB COc1ccc2c(ccn2CCC(=O)Nc2ccc(Br)cn2)c1 13692510 KCRRWCYDFGTIPK-UHFFFAOYSA-N 374.238 3.836 0 40 FHAB O=C(Cn1cc(-c2ccccc2)[n+]2c1CCC2)Nc1ccc(Cl)cc1 13786822 QRZQVCAFBQBHSN-UHFFFAOYSA-O 352.845 3.681 0 40 FHAB CCc1ccc(C(=O)Nc2cccc(-c3nn4c(C)nnc4s3)c2)cc1 20609576 NLJPCYRXYPOGDP-UHFFFAOYSA-N 363.446 3.976 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)cc1 5347999 DAMNZOZLIMYNNC-UHFFFAOYSA-N 350.374 3.621 0 40 FHAB Cc1ccc(NC(=O)CN2CCn3cccc3[C@H]2C)cc1Br 14198678 PKAOJPCZSQXNPJ-CYBMUJFWSA-N 362.271 3.574 0 40 FHAB C[C@@H]1C(=O)N(Cc2cc(Cl)cc3c2OCOC3)C(=O)N1c1ccccc1 14170652 XODHSZVMZJNNQD-GFCCVEGCSA-N 372.808 3.564 0 40 FHAB CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 14186670 KDCYFRGNZUXBHU-UHFFFAOYSA-N 366.870 3.623 0 40 FHAB CC[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 409351449 SZDWNKOGCIHMTB-MRXNPFEDSA-N 374.506 3.643 0 40 FHAB CCCc1ccc(C(=O)C[C@@]2(O)C(=O)N(C)c3ccc(Cl)cc32)cc1 4556204 OCIYABGEXSGMCZ-FQEVSTJZSA-N 357.837 3.730 0 40 FHAB Cc1ccc(OCC(=O)Nc2nnc(CCc3ccccc3)s2)cc1 4695032 KVNBICGYKSQSDO-UHFFFAOYSA-N 353.447 3.649 0 40 FHAB CCn1c(SCc2cc(=O)n3cccc(C)c3n2)nc2ccccc21 6657681 QDMZXCNPFWDZCK-UHFFFAOYSA-N 350.447 3.665 0 40 FHAB Cn1c(SCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1ccco1 4735952 ILELZJIATOAGLO-UHFFFAOYSA-N 366.805 3.598 0 40 FHAB O=C(c1ccc(OC(F)F)cc1)N1CCN(c2cccc(Cl)c2)CC1 6923075 FPDNHCIJTBPNAU-UHFFFAOYSA-N 366.795 3.904 0 40 FHAB CCOc1ccccc1NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1 5980773 MQLYTBPRHQPCDR-UHFFFAOYSA-N 367.323 3.900 0 40 FHAB Cc1ccc(NC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)cc1 19911189 PGIAMHDSQRKUPV-UHFFFAOYSA-N 358.348 3.738 0 40 FHAB C[C@@H](Cn1ccnc1)NC(=O)Nc1cccc(OCCc2ccccc2)c1 69510850 KOSPOFQVNNVHNI-KRWDZBQOSA-N 364.449 3.715 0 40 FHAB COc1ccccc1-c1ccc(CN2CCC(c3nncn3C)CC2)cc1 91795251 WWTVBCCNLAYJIO-UHFFFAOYSA-N 362.477 3.870 0 40 FHAB C[C@H](CC(=O)OCc1ncc(-c2ccccc2)o1)NC(=O)c1ccccc1 17602516 JVLZTXFMOHFQBY-OAHLLOKOSA-N 364.401 3.593 0 40 FHAB CC(=O)c1sc(NC(=O)Cc2c(C)noc2C)nc1-c1ccccc1 8884493 SPRUAFKKVHGSMF-UHFFFAOYSA-N 355.419 3.799 0 40 FHAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2)cc1C 409108081 VJQCPOMYNXWMGK-UHFFFAOYSA-N 352.463 3.923 0 40 FHAB C[C@@]1(C(=O)N[C@@H]2CCSc3ccc(F)cc32)Cc2ccccc2C(=O)O1 70813392 FGFLNAYOHDWXLK-UZLBHIALSA-N 371.433 3.651 0 40 FHAB COCc1ccccc1CNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 28055494 IVXZDRWOADAGGC-UHFFFAOYSA-N 361.507 3.854 0 40 FHAB CCN1CCN(c2ccc(NC(=O)CSCc3ccccc3)cc2)CC1 9322936 WFZBZDMXEDBSDH-UHFFFAOYSA-N 369.534 3.700 0 40 FHAB CC(C)Cc1ccc([C@@H](C)C(=O)N2CCN(c3ccccn3)CC2)cc1 9340578 FZFHVNOYUKOSLR-GOSISDBHSA-N 351.494 3.732 0 40 FHAB C[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NC[C@@H]1CCCO1 9495038 LTLYICMHFHKMGZ-KOLCDFICSA-N 356.900 3.726 0 40 FHAB CCOc1c(Br)cc(C(=O)Nc2cccc(C)n2)cc1OC 9468862 IBVAYZVKWHCUOZ-UHFFFAOYSA-N 365.227 3.812 0 40 FHAB COC(=O)C1=C(C)N(CC2CC2)C(=O)N[C@@H]1c1ccccc1C(F)(F)F 71818894 ASKKYMAEABFGDB-OAHLLOKOSA-N 368.355 3.629 0 40 FHAB O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1cccc(Oc2ccncc2)c1 72307222 AOFXJYYCUKTACU-WOJBJXKFSA-N 362.433 3.984 0 40 FHAB O=C(Nc1nc2ccsc2s1)N(Cc1cccnc1)C[C@H]1CCCO1 84425024 AZCAJISEJKBGEV-CYBMUJFWSA-N 374.491 3.966 0 40 FHAB COc1ccc(OC)c(NC(=S)N2C(=O)CSc3ccccc32)c1 28527552 MYTQJQVIGXMKDY-UHFFFAOYSA-N 360.460 3.540 0 40 FHAB C[C@H](CC1CCOCC1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 95995890 PFOMGEWYUKZWKV-PXAZEXFGSA-N 371.308 3.894 0 40 FHAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cnccc1-n1cccn1 95963645 SYJQLTDDCRAQTA-MRXNPFEDSA-N 356.813 3.717 0 40 FHAB C[C@@H](Cc1ccccc1Cl)C(=O)N1CCN([C@@H](C)c2ccccn2)CC1 95943192 RDEZBZSFHJSBHJ-IRXDYDNUSA-N 371.912 3.819 0 40 FHAB Cn1c(S[C@H]2CCN(Cc3ccccc3)C2)nnc1-c1ccc(F)cc1 550004160 CWXHWOBTRZLWLK-SFHVURJKSA-N 368.481 3.988 0 40 FHAB O=C1C[C@H](C(O)(c2ccccc2)c2ccccc2)CN1Cc1ccccc1 26522502 MLNFLZGBAGZYSJ-QFIPXVFZSA-N 357.453 3.971 0 40 FHAB CCCN(CCC)CN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 33286111 OUUPBAHVKHOQLC-MHWRWJLKSA-N 362.451 3.531 0 40 FHAB O=C(O)c1coc(NCCCCN2CCC(Cc3ccccc3)CC2)n1 517572276 KCAMZNUKGJUCLG-UHFFFAOYSA-N 357.454 3.520 0 40 FHAB C[C@H]1CN(C(=O)c2cccc(C(=O)c3ccco3)c2)c2ccccc2NC1=O 1538621189 STXKMTFMJTZQBW-AWEZNQCLSA-N 374.396 3.746 0 40 FHAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1nc(-c2ccccc2)no1 219318729 MWHPGGSICGRSTQ-QGZVFWFLSA-N 351.406 3.519 0 40 FHAB CC(C)(C)NC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1 33012576 AJFIRKJBFOTWCX-UHFFFAOYSA-N 351.406 3.697 0 40 FHAB Cc1cc(C)cc(OCCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1 36391630 SNHYSNFCFFJDEF-UHFFFAOYSA-N 366.461 3.947 0 40 FHAB CCN1C[C@H](CN(C)C(=O)Cc2ccccc2Cl)Oc2ccccc21 32781116 RZDQARSIIQNYLN-INIZCTEOSA-N 358.869 3.628 0 40 FHAB CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224898950 QUNBGDWVFGRHBT-UHFFFAOYSA-N 360.479 3.785 0 40 FHAB CCn1c([C@@H]2CCCN2C(=O)[C@H]2CCc3cccnc32)nc2ccccc21 329347351 CKKVVVMJKSTKMJ-LPHOPBHVSA-N 360.461 3.845 0 40 FHAB CCOC(=O)c1cnc2c(-c3ccc(F)cc3)c(C)nn2c1/C=C/N(C)C 49771004 WAKAIGZGGJIMOL-ZHACJKMWSA-N 368.412 3.553 0 40 FHAB CC(C)(C)OC(=O)N1CCC(=O)[C@@H](Cc2cccc(Br)c2)C1 228909946 UTADSQVKICTQEX-ZDUSSCGKSA-N 368.271 3.818 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCSc1ccccc1 222922180 QTIXJBRPVSOXFO-IBGZPJMESA-N 370.518 3.722 0 40 FHAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCc2ccccc2)c1 225184906 IEEXNDHHALMURY-PGMHBOJBSA-N 374.440 3.718 0 40 FHAB Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C[C@@H]1CCCO1 223294083 JPDOXEMRVZTBDI-IMJJTQAJSA-N 359.520 3.603 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 223091954 MUQMBIGXZYBCKC-OAQYLSRUSA-N 366.505 3.708 0 40 FHAB O=C(CCn1ccc2ccc(Cl)cc21)N1CC[C@]2(O)CCCC[C@H]2C1 95477942 DIQPPDVUPXARTH-OXJNMPFZSA-N 360.885 3.838 0 40 FHAB CCn1nc(C)c(CCC(=O)N2CCc3[nH]c4ccccc4c3C2)c1C 96125535 MJMNZZHDEFNNIJ-UHFFFAOYSA-N 350.466 3.519 0 40 FHAB O=C(NCc1ccncc1)c1cc(-c2ccn(CC3CC3)n2)n2ccccc12 96154719 VQIOQJKVLFLFGE-UHFFFAOYSA-N 371.444 3.538 0 40 FHAB COc1ccc(C[C@H]2CN(C(=O)c3cccc(C)c3)CC[C@@H]2OC)cc1 96110568 VRVONEIDRSKVDM-FPOVZHCZSA-N 353.462 3.723 0 40 FHAB Fc1ccccc1Oc1nccnc1[C@@H]1CCCN(Cc2c[nH]cn2)C1 257226035 FIWDRBRMLJFKTK-CQSZACIVSA-N 353.401 3.511 0 40 FHAB COCCC(=O)N1CCC(c2cccc(Nc3nc(C)c(C)s3)n2)CC1 257235346 GXKMYFBFKKYXQW-UHFFFAOYSA-N 374.510 3.641 0 40 FHAB Nc1c2c(nc3c1cnn3-c1ccccc1)C[C@H](c1ccccc1)CC2=O 584906205 LSOASNOSLVFJGX-HNNXBMFYSA-N 354.413 3.915 0 40 FHAB O=C(CSc1nnc(-c2ccccc2Cl)[nH]1)N[C@H]1C[C@H]2CC[C@H]1C2 260492667 GIBJOMBVSYFVQQ-MJVIPROJSA-N 362.886 3.522 0 40 FHAB O=C(O)c1cncc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 1602536008 IHWBHDPFYNVUMS-UHFFFAOYSA-N 358.357 3.575 0 40 FHAB O=C(NC1(c2ccccc2Cl)CC1)c1cnc(-c2ccncc2)nc1 97546483 UOQXVSNNVLMSNM-UHFFFAOYSA-N 350.809 3.611 0 40 FHAB C[S@](=O)c1ccc(C(=O)Nc2ccccc2NCC(F)(F)F)cc1 65492480 WICPQDBLDDIENZ-XMMPIXPASA-N 356.369 3.651 0 40 FHAB C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 105120811 JDXMEEWFXZRHKT-WDHIOAMHSA-N 369.509 3.555 0 40 FHAB CC(=O)N1CCN(C2CCCC2)C[C@H](Cc2cccc3cccnc23)C1 1615189922 ASEHHEQIJSBOND-GOSISDBHSA-N 351.494 3.500 0 40 FHAB Cc1cc(C)c(NC(=O)CNC(=O)CCCOc2ccc(F)cc2)c(C)c1 13007007 KPXNQNDHVIOALB-UHFFFAOYSA-N 372.440 3.665 0 40 FHAB COc1ccc(C)cc1CN1CCN(C(=O)Nc2ccc(C)cc2)CC1 14199591 HHVOFKDNAKRYMA-UHFFFAOYSA-N 353.466 3.662 0 40 FHAB Cc1cc(-c2cccs2)nc([C@H]2CCCN(C(=O)c3ccccn3)C2)n1 19117832 HBBQNSWPZBCRIW-HNNXBMFYSA-N 364.474 3.928 0 40 FHAB Clc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 19418273 PYPUDSSFMGDNMH-UHFFFAOYSA-N 360.870 3.608 0 40 FHAB CCc1cc(C(=O)N2CCC(c3cc4c(C)cccc4cn3)CC2)n(C)n1 19522144 BACDISLXBHQJLO-UHFFFAOYSA-N 362.477 3.859 0 40 FHAB CNc1ncc(C(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)cn1 19666039 XGBNUOXMDIITSU-UHFFFAOYSA-N 359.842 3.856 0 40 FHAB Clc1cccc(-c2ccc([C@@H]3CN(c4ncccn4)CCO3)nc2)c1 19692524 PSTFOEFGNVWPGE-SFHVURJKSA-N 352.825 3.770 0 40 FHAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc(C2CC2)nc2ccccc12 19714685 IGYYYODCXMUZAQ-CYBMUJFWSA-N 362.477 3.824 0 40 FHAB CN1CC2(CCCCc3ccccc3OCC1=O)CCN(CC1CC1)CC2 643563617 GMHGNNTXBKEZLL-UHFFFAOYSA-N 370.537 3.742 0 40 FHAB Cc1cccc(N=c2cc(C)nc([C@@H]3CCCCN3Cc3ccccn3)[nH]2)n1 643912210 XUSKXDKRGALEGF-IBGZPJMESA-N 374.492 3.776 0 40 FHAB COc1ccc(C)cc1NC(=O)CCC(=O)c1ccc2c(c1)OCCCO2 6541552 RWOAILSWZYTGSM-UHFFFAOYSA-N 369.417 3.767 0 40 FHAB CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccc(F)cc3[nH]2)n1 1857792656 LYUQNMNUBOUCBX-UHFFFAOYSA-N 364.384 3.794 0 40 FHAB CC1(C)C[C@@H]2CN(C(=O)c3cncc(F)c3)CC[C@@H]2N1c1cccc(F)c1 2037988786 IDNHRUQJRRBQIO-BEFAXECRSA-N 371.431 3.879 0 40 FHAB O=C1CO[C@@]2(CCCN(Cc3cccs3)CC2)CN1c1ccccc1 2037839707 AZRQYNADCWPRAJ-HXUWFJFHSA-N 356.491 3.536 0 40 FHAB COCc1ccc(C(=O)N2CCc3ncnc(-c4ccsc4)c3C2)cc1 1565556263 AMHUTRBGVRFZAQ-UHFFFAOYSA-N 365.458 3.550 0 40 FHAB CC(C)(C)n1nc2c(c1NC(=O)c1cc3ccccc3oc1=O)CSC2 4087654 IVCPFMTZSMWKLB-UHFFFAOYSA-N 369.446 3.744 0 40 FHAB CC[C@H](C)Nc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1 5017264 MBXQHRTUEPURHQ-ZDUSSCGKSA-N 356.451 3.641 0 40 FHAB COc1cccc(-c2cc(COC(=O)COc3ccccc3F)no2)c1 12236706 GFECVYFPGFTSJL-UHFFFAOYSA-N 357.337 3.612 0 40 FHAB CC(C)(C)c1ccc(=O)n(CC2CCN(c3ccncc3Cl)CC2)n1 585499602 KWTMCILFGWVVOB-UHFFFAOYSA-N 360.889 3.506 0 40 FHAB COc1ccc(CCC(=O)NC[C@H](O)c2ccc(-c3ccco3)cc2)cc1 585147852 CKWVCZYKKYDDPJ-FQEVSTJZSA-N 365.429 3.738 0 40 FHAB CC(=O)Nc1cc(NCC(=O)N[C@H](C)c2cc3ccccc3o2)ccc1F 40051295 MCQYBSLTUNBXEO-GFCCVEGCSA-N 369.396 3.820 0 40 FHAB O=C(c1cc(-c2cccs2)[nH]n1)N1CCN(c2ccc(Cl)cc2)CC1 15679247 NOJLNVXAYKCVLI-UHFFFAOYSA-N 372.881 3.754 0 40 FHAB COc1ccc(CNC(=O)[C@@H](CC(C)C)OC(=O)c2cccs2)cc1 1381135 LFWXFVPFPOPLNA-MRXNPFEDSA-N 361.463 3.645 0 40 FHAB S=C1N[C@@]2(CS1)Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 1472379 PYQOBJOYXXTDQX-CRAIPNDOSA-N 353.472 3.505 0 40 FHAB COc1ccc([C@@H](CCc2cc(OC)c(OC)c(OC)c2)NC(C)=O)cc1 1668921 UDTCAMSUOGHNLR-GOSISDBHSA-N 373.449 3.531 0 40 FHAB CC[C@H](C)NC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 3352187 CUPUHYYLVNNZBK-HNNXBMFYSA-N 361.463 3.599 0 40 FHAB CCCCn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccco1 4161471 OIYPVLBWWIJZGJ-UHFFFAOYSA-N 370.478 3.747 0 40 FHAB O=C(CSc1cccc[n+]1[O-])N1c2ccccc2CCc2ccccc21 31748407 CVAWEDJEVAFHGI-UHFFFAOYSA-N 362.454 3.876 0 40 FHAB CCn1c(SCC(=O)N2CCC(c3ccccc3)=N2)nc2ccccc21 4484602 UQUSIVMMBNKCGS-UHFFFAOYSA-N 364.474 3.785 0 40 FHAB Brc1ccc2c(c1)[C@H]1C[C@@](C3CC3)(N=C3SCCN31)O2 101090368 PUDAPTHGMDVUBR-IUODEOHRSA-N 351.269 3.797 0 40 FHAB COc1ccc(-c2noc([C@@H](C)NC(=O)C3CCCCC3)n2)cc1OC 4998143 QIKIYEVWNXXUEM-GFCCVEGCSA-N 359.426 3.511 0 40 FHAB O=C(NC1=NCCS1)c1cc(-c2ccc(F)cc2)nc2ccccc12 6476465 ILZMLVHPIOKYTO-UHFFFAOYSA-N 351.406 3.874 0 40 FHAB O=C(CSc1nnc(COc2ccccc2)[nH]1)Nc1cccc(Cl)c1 6496015 DFXQCAOKIVCTJJ-UHFFFAOYSA-N 374.853 3.768 0 40 FHAB CCN(c1ccccc1)S(=O)(=O)c1cc(Br)ccc1OC 7386614 XOPURTPYUZAFAX-UHFFFAOYSA-N 370.268 3.673 0 40 FHAB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(C)cc2)N2C(=O)CCSC2=N1 2502018 BIBMBGLIPYDHPM-GOSISDBHSA-N 372.490 3.844 0 40 FHAB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccccc1 2501817 KDOCGLVSFNLWAK-HSZRJFAPSA-N 357.409 3.694 0 40 FHAB COc1ccccc1-c1cc(=O)[nH]c(Nc2nc(C)c3cccc(C)c3n2)n1 10157430 RTZFKYDKBWRBGJ-UHFFFAOYSA-N 373.416 3.749 0 40 FHAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1cccc2ccccc12 10314445 QOLZBGFZOPJPOH-UHFFFAOYSA-N 354.431 3.772 0 40 FHAB CCCCc1ccc(C(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 29477900 UIOPABCUGLDEGY-HNNXBMFYSA-N 374.506 3.510 0 40 FHAB COc1ccccc1NC(=O)Nc1ccc(I)cc1 8169352 AKJQOITVMQQRAR-UHFFFAOYSA-N 368.174 3.944 0 40 FHAB CCn1nnnc1NCc1cc(Cl)c(OCc2ccccc2)c(OC)c1 8339916 FOGVPTRKHPGPNY-UHFFFAOYSA-N 373.844 3.546 0 40 FHAB CCc1ccccc1NC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 8498030 XQLNKDJRRWLRQI-UHFFFAOYSA-N 374.506 3.742 0 40 FHAB COc1cc(Br)c(OC)c(C(=O)N2CCc3ccccc32)c1 21278987 VBDRKVNKHGTLPN-UHFFFAOYSA-N 362.223 3.669 0 40 FHAB Cc1cc(N2CCN(CCOc3ccc(Cl)cc3)CC2)nc(C(C)C)n1 32717254 QVGYPRGPMYBFNF-UHFFFAOYSA-N 374.916 3.763 0 40 FHAB c1csc(CN2CCN(c3ncnc4c3oc3ccccc34)CC2)c1 57681914 AGSZYDMUYPOCBQ-UHFFFAOYSA-N 350.447 3.760 0 40 FHAB CC(=O)c1ccc(N2CCN(c3ncccc3C(F)(F)F)CC2)c(F)c1 32829185 RLSKAGUUVHZHOA-UHFFFAOYSA-N 367.346 3.769 0 40 FHAB C[C@H]1Oc2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2NC1=O 21601125 GBVRTGUXKVCWQC-SSDOTTSWSA-N 352.724 3.590 0 40 FHAB Cc1cc(C)nc(SCC(=O)N2CCCCC[C@@H]2c2cccn2C)n1 32905047 ZRDWPWYWBYGSMF-QGZVFWFLSA-N 358.511 3.668 0 40 FHAB CN1CCN(Cc2cccc(C(=O)c3cc(Cl)cc(Cl)c3)c2)CC1 22028076 ZRCPIMSQPCAOQV-UHFFFAOYSA-N 363.288 3.972 0 40 FHAB O=C(Nc1ccc(Cl)cn1)c1ccn(COc2ccccc2Cl)n1 2794149 NGSVMNIQQXKBMZ-UHFFFAOYSA-N 363.204 3.874 0 40 FHAB COc1cccc(NC(=O)[C@H](C)Cn2nc(C)c(Br)c2C)c1 2796250 VKGZQWJULRINMH-SNVBAGLBSA-N 366.259 3.546 0 40 FHAB FC(F)CN1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1 60874954 CSWWVENNSJPEEO-UHFFFAOYSA-N 354.404 3.684 0 40 FHAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)Nc1nc(-c2ccccc2)ns1 103632033 PFKGBYRHMBJECR-RCRDTURJSA-N 369.490 3.865 0 40 FHAB Cc1ccc([C@H]2SCCN2C(=O)c2cc3ccccc3oc2=O)cc1 789035 KIUIBTNIQKQCNX-LJQANCHMSA-N 351.427 3.989 0 40 FHAB COC(=O)[C@]1(C)[C@H]2[C@H]3CCC[C@@H]3[C@H]3[C@@H]2[C@@H]2[C@H]4[C@@H]5[C@@H](CC[C@@]5(C)C(=O)[C@@]34C)[C@H]21 104294816 UUGXCKXVYHJQAL-DAGIMKTKSA-N 368.517 3.955 0 40 FHAB COc1ccc(NC(=O)[C@@H](C)n2cc(Br)cn2)cc1Cl 28304437 ZUQWNLNAUCJRMV-MRVPVSSYSA-N 358.623 3.507 0 40 FHAB O=C(Nc1ccc(C(=O)N[C@H]2CCOc3ccccc32)s1)c1ccco1 23693818 PKURPRPEPQEMEO-ZDUSSCGKSA-N 368.414 3.847 0 40 FHAB C[C@@]12CC3CC(C(=O)N4CCN(c5ccccn5)CC4)(C1)C[C@@](C)(C3)C2 100797961 VLBRMZWGJZIXCI-WJAUWWTJSA-N 353.510 3.727 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1 24840869 JFOHLSLCYVBBBK-ZDUSSCGKSA-N 372.446 3.773 0 40 FHAB O=S(=O)(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccccc1 12584270 RBXURRNHOIEYSP-UHFFFAOYSA-N 359.476 3.697 0 40 FHAB COc1ccccc1C(=O)N[C@@H](CCSC)c1nc2ccccc2[nH]1 12546425 PKJXASSLLSGSKF-INIZCTEOSA-N 355.463 3.796 0 40 FHAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1 24256390 BZXDIULJGBIOKJ-UHFFFAOYSA-N 360.218 3.581 0 40 FHAB O=C(CC[C@H]1CCCO1)Nc1cccc(OCC(=O)Nc2ccccc2)c1 55615965 DIFJSGNUMHPRSN-GOSISDBHSA-N 368.433 3.602 0 40 FHAB CCc1ccc2oc(-c3ccc(OC)cc3)c(O[C@H](C)C(=O)O)c(=O)c2c1 1987736 CTMKFNNWVARUPV-GFCCVEGCSA-N 368.385 3.883 0 40 FHAB CCCCC(=O)N(CCN1C(=O)c2ccccc2C1=O)c1cccc(F)c1 3223983 GOCMBWLNFOQNKB-UHFFFAOYSA-N 368.408 3.645 0 40 FHAB COCCCCN1C(=O)[C@H](Oc2ccccc2C)[C@H]1c1cccc(OC)c1 58154817 XIUAOKDIPLFZOA-NHCUHLMSSA-N 369.461 3.761 0 40 FHAB CCOc1ccc(C(=O)N(C)Cc2ccc(Br)s2)cn1 44882916 DLHIDSKEQBJBPM-UHFFFAOYSA-N 355.257 3.577 0 40 FHAB O=C(Nc1nncs1)c1oc2ccccc2c1CSc1ncccn1 58214225 NZBUSMQVTAQIHQ-UHFFFAOYSA-N 369.431 3.619 0 40 FHAB CN(C(=O)CSc1ncnc2sc3c(c12)CCC3)c1ccccc1 3341958 CHJDWWPFAOXTMX-UHFFFAOYSA-N 355.488 3.935 0 40 FHAB CN1CCN(c2ccc(C(=O)Nc3cccc4ccccc34)cc2F)CC1 58356338 SUGMIGRIQCGUBG-UHFFFAOYSA-N 363.436 3.983 0 40 FHAB COc1cccc([C@H]2C[C@@H](c3cccc(Cl)c3)n3nc(N)nc3N2)c1 2396189 MZELGKBTALBKDW-CVEARBPZSA-N 355.829 3.669 0 40 FHAB O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc(Cl)cc1Cl 48356032 HAUZEROVTILWJN-UHFFFAOYSA-N 364.276 3.783 0 40 FHAB CN(CCOc1ccccc1Cl)Cc1cc(=O)oc2cc(O)ccc12 12854769 UWJKDBVMKLUBQV-UHFFFAOYSA-N 359.809 3.663 0 40 FHAB O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1Cc1ccccc1 12871716 GJZUXRPENVYNRJ-UHFFFAOYSA-N 370.452 3.963 0 40 FHAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cccc3cccnc23)CC1=O 12851944 WLYRCZWCRAVHCQ-YJBOKZPZSA-N 359.429 3.783 0 40 FHAB CC(C)c1ccc(NC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)cc1 12811756 YLPGYYDYRVFKQE-UHFFFAOYSA-N 372.509 3.948 0 40 FHAB O=C(COC(=O)c1ccc(O)cc1)Nc1ccccc1Cc1ccccc1 3465902 YEDFRNJPQIEOBN-UHFFFAOYSA-N 361.397 3.779 0 40 FHAB CCCC(=O)OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 3449680 OAZWSKHGUGKYKH-UHFFFAOYSA-N 359.809 3.853 0 40 FHAB COc1ccc(CNCc2cc(Br)cs2)c(OC)c1OC 48716638 SRZNFEIJPBVHNW-UHFFFAOYSA-N 372.284 3.826 0 40 FHAB COc1ccc(OC)c(-c2ccc(OC(=O)c3ccccc3F)nn2)c1 408528439 FBADQZJRFPSVAI-UHFFFAOYSA-N 354.337 3.519 0 40 FHAB c1ccc(Cn2cc(-c3cnn(-c4ncnc5sccc45)c3)cn2)cc1 49592516 TZHWJUYGDVXGJJ-UHFFFAOYSA-N 358.430 3.789 0 40 FHAB O=C(CN1CCCC1)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 4165335 SHWJUNVMCDIWBP-QGZVFWFLSA-N 357.454 3.661 0 40 FHAB CNS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 8087894 FZGPZUFFPGQTMK-UHFFFAOYSA-N 366.442 3.514 0 40 FHAB O=C1C[C@H](C(=O)Nc2cccc(Cl)c2)SC(Nc2ccccc2)=N1 13942821 YOXMXBZSSAFDLX-CQSZACIVSA-N 359.838 3.779 0 40 FHAB CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)c1ccccc1 20108731 QUBXFEXVTCWYSK-INIZCTEOSA-N 366.870 3.593 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 14112302 ZVHWGSUHTRQQBF-DZGCQCFKSA-N 370.419 3.511 0 40 FHAB CCc1cc(OCC(=O)Nc2ccc3c(c2)CCN3C(C)=O)ccc1Cl 14279743 JNUCIFMBDAQAEF-UHFFFAOYSA-N 372.852 3.829 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccc2c(c1)OCO2 6610008 QJQWLKRJFGFIGO-GFCCVEGCSA-N 351.358 3.633 0 40 FHAB COc1cc(OC)c2nc(NC(=O)c3cccc(C)c3OC)sc2c1 4736773 KGBCERXWZGJZGQ-UHFFFAOYSA-N 358.419 3.883 0 40 FHAB COC(=O)c1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2ccccc2C)C(=O)N1 4852840 SBQNCLFTPGVBEI-FOIQADDNSA-N 352.390 3.551 0 40 FHAB O=C(CCCn1c(=O)oc2ccccc21)N[C@@H]1CCSc2ccccc21 6852754 CLJOVJGLFXGRKP-OAHLLOKOSA-N 368.458 3.728 0 40 FHAB O=C(COC(=O)CSc1ccccc1)Nc1ccc(F)c(Cl)c1 6919295 WWWWDGNSXAOZCK-UHFFFAOYSA-N 353.802 3.753 0 40 FHAB CC(=O)Nc1ccc(NC(=O)COc2ccccc2)c(C(F)(F)F)c1 8757309 QYSOZTJBRIWTGI-UHFFFAOYSA-N 352.312 3.681 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc4ccccc4n32)cc1Cl 9668777 LUDVOQKCPJIMFN-HNNXBMFYSA-N 354.797 3.520 0 40 FHAB O=C(NCCCc1nc2ccccc2[nH]1)NCCOc1ccc(Cl)cc1 9756336 YICGGUUUIHRAPV-UHFFFAOYSA-N 372.856 3.527 0 40 FHAB Cc1sc2c(c1C)CN(C[C@H]1CCCO1)CN2C(=O)c1ccccc1 19880182 NTQUVSVZEWRJKV-QGZVFWFLSA-N 356.491 3.964 0 40 FHAB Cc1ccc(Oc2ccccc2NC(=O)COC(=O)c2cc(C)no2)cc1 9514331 SODAWUJDFXXGOV-UHFFFAOYSA-N 366.373 3.879 0 40 FHAB CC(C)CCN(CCC(C)C)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 72271148 SQYXHQNHIGNDEI-UHFFFAOYSA-N 372.509 3.870 0 40 FHAB COCc1cccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)c1 9906810 ZMAVGUXASDUIGV-UHFFFAOYSA-N 360.841 3.575 0 40 FHAB CC(C)c1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1 22256824 PUEYQMUTBXTJNW-UHFFFAOYSA-N 371.462 3.681 0 40 FHAB COc1ccc(C2=Nn3c(COc4ccc(C)cc4)nnc3SC2)cc1 409203800 ZINMZJKBOIATLT-UHFFFAOYSA-N 366.446 3.532 0 40 FHAB Cc1ccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)s1 72393099 WEROTYDXHSECIQ-MRXNPFEDSA-N 366.490 3.581 0 40 FHAB COc1ccc(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)cc1 31663546 XLENRNWMFCYSHD-UHFFFAOYSA-N 355.369 3.846 0 40 FHAB Cc1cccc(COc2ccc(CO)cc2I)c1 34772809 SLCYLNLQEKNAGA-UHFFFAOYSA-N 354.187 3.671 0 40 FHAB Cc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccccc1Br 72228964 JQBNLPUTHILXGJ-UHFFFAOYSA-N 371.238 3.899 0 40 FHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)C)cc2)cc1F 30332714 YMNPJBPSTHVWBZ-UHFFFAOYSA-N 351.443 3.778 0 40 FHAB CN1CCCC[C@@H](C2CCN(C(=O)CCCc3ccc(F)cc3)CC2)C1=O 72372012 AUISGQZRBNAAFF-FQEVSTJZSA-N 374.500 3.646 0 40 FHAB CCc1ccc(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 75244203 PRFHDXFJODZXCL-UHFFFAOYSA-N 358.869 3.630 0 40 FHAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)Cc1ccccc1F 40108781 URXWEPTZGILUHX-UHFFFAOYSA-N 351.425 3.611 0 40 FHAB CCN(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 40103706 ISQGYPNYKMIUEQ-UHFFFAOYSA-N 368.405 3.737 0 40 FHAB CCN(CC)C(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2cccc(Cl)c2)C1 40091884 HYLKMUQJGHNAFP-GDBMZVCRSA-N 365.905 3.691 0 40 FHAB CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1 223939418 VODKFRUMVPOCEL-HNNXBMFYSA-N 360.479 3.714 0 40 FHAB CSc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1NC(C)=O 225411278 MBCOITCRVKPZFD-UHFFFAOYSA-N 364.492 3.785 0 40 FHAB O=C(CCCOc1ccccc1)NCc1nc(-c2ccccc2Cl)no1 41153943 BYPLXWHMZCOBJY-UHFFFAOYSA-N 371.824 3.865 0 40 FHAB CCOC(=O)c1ccc(NC(=S)NCc2ccc(OC)cc2)c(C)c1 225314560 HCSJHURASGOTOF-UHFFFAOYSA-N 358.463 3.667 0 40 FHAB O=C(NCc1coc2ccccc12)N1CC2(CCC2)[C@@H]1C1CCOCC1 333771416 RKKAZNRCWNVPPS-IBGZPJMESA-N 354.450 3.924 0 40 FHAB CNC(=O)C[C@H]1CC2(CCN(C(=O)c3cccs3)CC2)c2ccccc21 96241916 TUBAIUKLAJHMIV-HNNXBMFYSA-N 368.502 3.546 0 40 FHAB COCCn1ccc2ccc(C(=O)N[C@@H](C)c3nc4ccccc4[nH]3)cc21 96118514 ZUZLKUDRFJITLL-AWEZNQCLSA-N 362.433 3.655 0 40 FHAB O=C(O)CN(CCc1ccc(Cl)cc1)C1CCN(c2ccccc2)CC1 257321933 WDXHTWOZNQXMMY-UHFFFAOYSA-N 372.896 3.938 0 40 FHAB Cn1nccc1C(=O)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257323635 WLFJORMNXGWPKD-INIZCTEOSA-N 370.840 3.630 0 40 FHAB CC(=O)N[C@]12CCO[C@@H](c3ccc(C)cc3)[C@@H]1C[C@H]1C[C@H]2[C@@H](C)NC1(C)C 257343567 ZTMWSHIIYPIECS-XURNYUAKSA-N 370.537 3.744 0 40 FHAB Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)cc1C 41095299 QQMGFLBNROHQNC-QMTHXVAHSA-N 360.317 3.923 0 40 FHAB O=C(Cc1c(F)cccc1Cl)NCC[C@@H](CCO)c1cccs1 618257234 SMTFWKWUJVTXLQ-LBPRGKRZSA-N 355.862 3.756 0 40 FHAB CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 601014557 VYLAPJPXVVMMJS-JKSUJKDBSA-N 362.470 3.914 0 40 FHAB O=C(c1cccc(Oc2ccc(Cl)cc2)n1)N1CC[C@H](OC(F)F)C1 606444061 OSWMFLVWCVGVDM-ZDUSSCGKSA-N 368.767 3.981 0 40 FHAB CCOCC(=O)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 96124423 ZGXZGLAGJHFZEL-UHFFFAOYSA-N 354.435 3.924 0 40 FHAB COc1ccccc1[C@H](CNC(=O)c1cc2cccc(OC)c2o1)OC 96384648 JRTKEFPIXRMMPL-SFHVURJKSA-N 355.390 3.568 0 40 FHAB CS(=O)(=O)Nc1ccc(-c2nc(C3(c4ccccc4)CCC3)no2)cc1 562474678 UFNAOOJVJFXFAS-UHFFFAOYSA-N 369.446 3.578 0 40 FHAB Cn1ccc([C@H]2CCCN(C(=O)c3cc(-c4ccc(F)cc4)c[nH]3)C2)n1 390830036 IJAAFWPJUDJSNV-HNNXBMFYSA-N 352.413 3.574 0 40 FHAB CCN1C(=O)CCC[C@H]2[C@@H]1CCN2C[C@]1(O)CC[C@@H](c2ccccc2)CC1 585282942 JZYGRNHKRPQJKQ-VVSUKSJXSA-N 370.537 3.551 0 40 FHAB C[C@H]1CN(c2cc(C(C)(C)C)nc(C(C)(C)C)n2)CCN1c1cnccn1 1655957945 FJYJZQPRDWOKTL-HNNXBMFYSA-N 368.529 3.577 0 40 FHAB O=C(CCN1C(=O)CSc2ccccc21)N[C@H]1CCCc2ccccc21 5404747 SZILKSFWSVMCGU-KRWDZBQOSA-N 366.486 3.709 0 40 FHAB CC(=O)Nc1ccc(C)cc1NC(=O)CC[C@H]1COc2ccccc2O1 5450971 ATKCGMRQXPTYMC-HNNXBMFYSA-N 354.406 3.512 0 40 FHAB O=C(O)c1cccc(/N=C/c2ccccc2I)c1 5770531 WUHFYGSYKQSXKS-CXUHLZMHSA-N 351.143 3.740 0 40 FHAB Cc1c(CN2CCc3nc(-c4ccccn4)nc(O)c3C2)[nH]c2ccccc12 12122449 DZQPKDBGQRXOMW-UHFFFAOYSA-N 371.444 3.592 0 40 FHAB CCOC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2CCc1ccccn1 13211797 RRIRQAQPJJXVOX-UHFFFAOYSA-N 372.428 3.913 0 40 FHAB Cc1cccc(-c2nc(-c3ccc(CCNS(C)(=O)=O)cc3)cs2)c1 14103541 STBRFGJVZZSFFE-UHFFFAOYSA-N 372.515 3.877 0 40 FHAB Cc1ccc([C@H](NC(=O)COC(=O)c2ccco2)c2cccs2)cc1 17483863 HMMADLNUPSUODU-SFHVURJKSA-N 355.415 3.712 0 40 FHAB O=c1cc([C@H]2CCCCN2Cc2cccc(F)c2)nc(-c2ccncc2)[nH]1 19293849 CEIDXQZAGKXONY-LJQANCHMSA-N 364.424 3.698 0 40 FHAB C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)nn2C)CCc2ccc(Cl)cc21 650526493 WDNYGWIPYXRSRV-SNVBAGLBSA-N 371.790 3.894 0 40 FHAB O=C(CSc1ncnc2ccccc12)c1ccc2c(c1)OCCCO2 7151804 PHPYWBTVMCNYSC-UHFFFAOYSA-N 352.415 3.766 0 40 FHAB Cc1ccsc1CN1CCC[C@@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 1848353177 KGEAPZJVOFMTFQ-HNNXBMFYSA-N 353.495 3.691 0 40 FHAB Cc1ccc(Cn2c(=O)n(-c3ccccc3C)c(=O)c3ccccc32)cc1 4905942 SDHUWILLVKJUTR-UHFFFAOYSA-N 356.425 3.818 0 40 FHAB CSc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 5222777 WHHNCLIWAQNKDJ-SNVBAGLBSA-N 360.504 3.946 0 40 FHAB CCc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccccc2F)c1 15883152 DGRHDYJHDULPMB-UHFFFAOYSA-N 350.393 3.850 0 40 FHAB Cc1nc2ccccc2n1C1CN(C(=O)c2cc(-c3ccccc3)on2)C1 1775974379 PFFJFFMQPPXIKN-UHFFFAOYSA-N 358.401 3.697 0 40 FHAB NC(=O)[C@H]1CCCN(C(=O)N2c3ccccc3Sc3ccccc32)C1 13574573 XFVITXCDKIWNMZ-ZDUSSCGKSA-N 353.447 3.607 0 40 FHAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@H]3c2ccc(O)cc2)c1 40288628 DOUCMAAYWNGVAK-HNNXBMFYSA-N 365.389 3.719 0 40 FHAB Cc1cccn2c(=O)c3cc(C(=O)Nc4cccc(F)c4)sc3nc12 2466930 ROWALUHXJDEKPF-UHFFFAOYSA-N 353.378 3.609 0 40 FHAB O=C(Cc1noc2ccccc12)OCc1cc(Cl)cc2c1OCOC2 7864370 SQYGVLWCMBFUII-UHFFFAOYSA-N 359.765 3.634 0 40 FHAB O=C(c1cnc([C@@H]2CCCO2)s1)n1cccc/c1=N\C1CCCCC1 101827545 JDNNVCDTLKMLRI-OSGFXRFRSA-N 357.479 3.718 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)c2ccccc12 32601567 UUQSQAWGJUQSSD-UHFFFAOYSA-N 371.414 3.738 0 40 FHAB OCCCc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C=C(c1ccccc1)N2 100706826 NTBRCEMRRPQXFI-GOSISDBHSA-N 366.852 3.912 0 40 FHAB O=C(CCCNC(=O)NC1CCCCC1)Nc1cccc2cccnc12 32900271 WQOHNCSARSUFLG-UHFFFAOYSA-N 354.454 3.585 0 40 FHAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccco1 22189781 RTWDDZQMILTYEW-UHFFFAOYSA-N 355.221 3.616 0 40 FHAB CCN1CCC[C@H]1CNC(=O)Cc1csc(-c2ccccc2Cl)n1 53274900 JDMQLXZTLZLQFY-AWEZNQCLSA-N 363.914 3.607 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)Nc1nc(CN2CCCCC2)cs1 22289165 WOQWWSNEUNALDM-UHFFFAOYSA-N 354.479 3.792 0 40 FHAB O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cc(Cl)c2c(c1)OCCO2 22763703 WBZDDXHIOJPAEY-CMPLNLGQSA-N 363.763 3.962 0 40 FHAB O=C(c1ccoc1)N1CCC(C(=O)N2CCC[C@H]2c2ccsc2)CC1 46911851 SBOQFWHGRMKNHJ-KRWDZBQOSA-N 358.463 3.557 0 40 FHAB CN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cnc(-c2ccccc2)nc1 54441650 BJGGMNWLHDLRJB-SFHVURJKSA-N 350.809 3.993 0 40 FHAB C[C@H](c1ccc(F)c(F)c1)N(C)Cc1cc(=O)n2cc(Cl)ccc2n1 23668268 JLPKQZXURMRELX-LLVKDONJSA-N 363.795 3.819 0 40 FHAB CC(=O)c1cccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 24242294 PWRBRSASCFXQSJ-UHFFFAOYSA-N 359.325 3.589 0 40 FHAB Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)s2)c(O)c1 55141214 HYFRUNJCOYJGHT-GFCCVEGCSA-N 364.854 3.659 0 40 FHAB CC(=O)Nc1ccc(S[C@H](C)C(=O)c2ccc(NC(C)=O)cc2)cc1 24636369 IDJCFERKWAAIAO-GFCCVEGCSA-N 356.447 3.967 0 40 FHAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)C1(C)C 24714394 MSVQPEVWVSTSNW-ICSRJNTNSA-N 355.526 3.924 0 40 FHAB O=S(=O)(c1c[nH]c2ncccc12)N(Cc1ccco1)c1ccccc1 57118084 MHYCTJBCRDSXFD-UHFFFAOYSA-N 353.403 3.551 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cc3cc(OC)ccc3nc2C)c1 25765951 NDSUIBZJPNCPCR-UHFFFAOYSA-N 352.390 3.821 0 40 FHAB C[C@@H](C(=O)Nc1cccc(NC(=O)c2ccc(F)c(F)c2)c1)n1cccn1 27083325 VAFRAGWPEWLQOZ-LBPRGKRZSA-N 370.359 3.613 0 40 FHAB CN(C(=O)CCNC(=O)C(C)(C)C)c1ccccc1Oc1ccccc1 58157668 KJOCPZUAWVACMJ-UHFFFAOYSA-N 354.450 3.994 0 40 FHAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 408597640 ZTFAGZUZLPLNHY-UHFFFAOYSA-N 365.430 3.500 0 40 FHAB C[C@H](Sc1ccccc1Cl)C(=O)NC1CCN(CC(F)F)CC1 58430674 CVALPWIGXSDCQD-NSHDSACASA-N 362.873 3.666 0 40 FHAB O[C@H](COc1c(Cl)cccc1Cl)CN1CCc2sccc2C1 28174368 MYTUZEJXFPTGSU-LBPRGKRZSA-N 358.290 3.853 0 40 FHAB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1Cl 3216185 FUHLIEZUFKGWLP-UHFFFAOYSA-N 371.864 3.978 0 40 FHAB COc1ccc(CNC(=O)c2csc(-c3ccc(F)cc3)n2)cc1OC 8276301 MHMYDAAICNYIGK-UHFFFAOYSA-N 372.421 3.896 0 40 FHAB CCN(CC(=O)NC(C)(C)C)C(=O)C(c1ccccc1)c1ccccc1 3368698 TUQNPBAXHKYTEU-UHFFFAOYSA-N 352.478 3.582 0 40 FHAB O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)c1 3361136 JIDLQVJSXXNSMO-UHFFFAOYSA-N 367.426 3.776 0 40 FHAB C[C@@H](NC(=O)c1cccc(I)c1)c1ccc(F)cc1 3336451 VUTVZIQOQUKRDG-SNVBAGLBSA-N 369.177 3.921 0 40 FHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)c1ccccc1Cl 12736965 PTQSFQMSYAEXIQ-KGLIPLIRSA-N 360.841 3.832 0 40 FHAB Cc1ccc([C@H](CNC(=O)c2cc3ccccc3s2)N2CCOCC2)o1 48324474 NMGZRSSKUQYEPN-INIZCTEOSA-N 370.474 3.606 0 40 FHAB O=C(COc1ccc(N2CCCC2=O)cc1)Nc1cccc2c1CCCC2 16960830 PPSDHYSMDVTWAR-UHFFFAOYSA-N 364.445 3.710 0 40 FHAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](c1ccccc1)C1CC1 12924596 LCRYMGWODOFSTH-BEFAXECRSA-N 352.434 3.569 0 40 FHAB FC(F)(F)c1nnc2ccc(N[C@H]3CCSc4ccccc43)nn12 12924365 FNBQHSDITXXNJZ-JTQLQIEISA-N 351.357 3.792 0 40 FHAB COC(=O)c1ccc(CNC(=O)Cc2c(Cl)cccc2Cl)cc1 8342218 GSMBHXOIAHKKAZ-UHFFFAOYSA-N 352.217 3.639 0 40 FHAB Cc1cc(C)c(OCC(=O)Nc2cnc3c(cnn3C(C)C)c2)c(C)c1 13000987 DZKGVQUSQIFNRW-UHFFFAOYSA-N 352.438 3.955 0 40 FHAB CCCC[C@](C)(O)C/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 3874276 CNWGPXZGIIOYDL-RSGRZVGOSA-N 368.514 3.865 0 40 FHAB CCOc1ccc(-c2nn3c(Cc4ccc(OC)cc4)nnc3s2)cc1 8392916 CEORCKOFHFGDEF-UHFFFAOYSA-N 366.446 3.851 0 40 FHAB c1cncc(-c2nc(NC[C@@H]3CCCO3)c3c4c(sc3n2)CCC4)c1 6399434 YTVCNDUGSRTEOO-ZDUSSCGKSA-N 352.463 3.833 0 40 FHAB C[C@H](OC(=O)c1ccc2ccccc2c1)C(=O)NC(=O)NC1CCCCC1 6460722 OCVLGJIQLKVBHS-AWEZNQCLSA-N 368.433 3.544 0 40 FHAB CCc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 14164717 PXLNEIDYOFRXOA-UHFFFAOYSA-N 364.445 3.977 0 40 FHAB Cc1ccc(-c2nnn(CC(=O)Nc3cccc(Cl)c3Cl)n2)cc1 5491884 RPXYBSBEFDLNFQ-UHFFFAOYSA-N 362.220 3.594 0 40 FHAB O=S(=O)(NCc1cccc(C(F)(F)F)c1)c1ccc(F)c(Cl)c1 6549398 VRJPXPICOXYLJO-UHFFFAOYSA-N 367.751 3.976 0 40 FHAB Cc1[nH]c(C(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)c(C)c1C(=O)OC(C)C 65924893 MXFOISPXUWFNQF-RYTJFDOTSA-N 358.482 3.847 0 40 FHAB CCOC(=O)[C@@H]1C(=O)OC(C)(C)[C@H]1[C@@H](CC)C(=O)c1ccc(Cl)cc1 4694374 GYONFYNYMALABL-KFWWJZLASA-N 366.841 3.680 0 40 FHAB c1ccc(-n2cc(CNC[C@H](c3ccco3)N3CCCCC3)cn2)cc1 66067923 WCINNOWVUNXBEU-HXUWFJFHSA-N 350.466 3.782 0 40 FHAB CC(C)C(=O)N1CCO[C@@H](c2ccc(Cc3ccccc3Cl)cn2)C1 19692872 GZIHTLUAZRJGKI-LJQANCHMSA-N 358.869 3.882 0 40 FHAB O=C(Cc1ccccc1)Nc1ccccc1C(=O)Nc1nc2ccccc2[nH]1 6607436 AXAPEHRYGDQVDI-UHFFFAOYSA-N 370.412 3.996 0 40 FHAB O=C(COCC(=O)N(c1ccccc1)c1ccccc1)NCc1ccccc1 4715502 VBLGUOGFTXMQSH-UHFFFAOYSA-N 374.440 3.684 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c1 5608983 KTSIAFHHYPMBPC-GOSISDBHSA-N 369.417 3.592 0 40 FHAB Cc1c(Cl)cccc1NCC(=O)Nc1ccc(N2CCOCC2)cc1 5689534 XVFNNWJIOGQYCM-UHFFFAOYSA-N 359.857 3.536 0 40 FHAB C[C@@H](CC(=O)Nc1ccccc1)NC1CCN(Cc2ccccc2)CC1 6788178 XLWINFFXDVVNRG-SFHVURJKSA-N 351.494 3.658 0 40 FHAB Cc1ccc2c(CC(=O)Nc3ccc(N4CCOCC4)cc3)coc2c1 6790441 ACKXGEXXPTVGJU-UHFFFAOYSA-N 350.418 3.759 0 40 FHAB Cc1sc2nc([C@@H](C)Sc3nnc(C)n3C3CC3)[nH]c(=O)c2c1C 6934745 PAJHDPNZBBEGAK-SECBINFHSA-N 361.496 3.690 0 40 FHAB Cc1cc(NC(=O)[C@@H](Nc2ccc3c(c2)OCO3)c2ccccc2)no1 8707840 GAWSAXAUJAVJGH-SFHVURJKSA-N 351.362 3.504 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(F)c3c2C(=O)C[C@@H]3C)c1C 8709327 WXCGIWPTKGDEMK-VIFPVBQESA-N 357.381 3.925 0 40 FHAB Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)n1 7177431 MUUACEBJYADOQU-VIFPVBQESA-N 356.373 3.505 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc3n2CCCCC3)c1C 7642035 BDNQGUCRMVIRQR-ZDUSSCGKSA-N 360.483 3.516 0 40 FHAB O=C(Nc1ccnn1Cc1ccccn1)c1cccnc1Oc1ccccc1 7813353 DBPPPVQBQWPLEZ-UHFFFAOYSA-N 371.400 3.766 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)cc1 9194404 BPIWFUVMMIKVDR-UHFFFAOYSA-N 365.385 3.839 0 40 FHAB Cc1cc(Cl)ccc1OCC(=O)Nc1nnc(-c2ccc(F)cc2)[nH]1 8116612 AJNMDKLIRIQFKO-UHFFFAOYSA-N 360.776 3.590 0 40 FHAB CCn1cc(C(=O)NCc2ccccc2Cl)c(=O)c2cc(OC)ccc21 22235678 BJYPEFFJFGYQDQ-UHFFFAOYSA-N 370.836 3.613 0 40 FHAB COc1ccc(OC)c(-c2csc(NC(=O)CCc3ccco3)n2)c1 9762757 HUQIUJZRHVLKOA-UHFFFAOYSA-N 358.419 3.992 0 40 FHAB Cc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3c2ccc(C(=O)O)cc2)cc1 9576982 JOFHVKWAPGLGFB-QGZVFWFLSA-N 361.401 3.661 0 40 FHAB O=C(NCCCc1nc2c(s1)CCCC2)C1=Cc2ccccc2OC1 72288342 HTKXFROYYPOSPS-UHFFFAOYSA-N 354.475 3.547 0 40 FHAB COc1cccc([C@H](C)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 72270994 FFEQFVLSMRQJQK-HNNXBMFYSA-N 358.869 3.868 0 40 FHAB O=C(O[C@H](c1cccc(F)c1)c1ccccn1)c1ccc(-n2ccnc2)nc1 97164830 FIYVMGXFKHHOOH-HXUWFJFHSA-N 374.375 3.748 0 40 FHAB C[C@H]1CN(c2ccc(-c3nnc(Br)s3)cc2)CC(C)(C)O1 72313877 SIWWPLOWBCOEEJ-JTQLQIEISA-N 368.300 3.971 0 40 FHAB O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1cccc(Oc2ccncc2)c1 72307220 AOFXJYYCUKTACU-UXHICEINSA-N 362.433 3.984 0 40 FHAB O=C(Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccc2c(c1)OCCO2 20140729 OEOJBKQKRYFLHH-UHFFFAOYSA-N 368.172 3.715 0 40 FHAB Cc1cc(S(=O)(=O)Nc2ccccc2[C@@H](O)C(C)C)cnc1Cl 95444499 ABNQRXUOFYPISW-HNNXBMFYSA-N 354.859 3.534 0 40 FHAB O=c1[nH]n(C2CCCCC2)c2c1[C@@H](c1cccc(O)c1)SCC(O)=N2 95475355 BNPMZFOTHNRHCR-MRXNPFEDSA-N 359.451 3.811 0 40 FHAB COc1ccc(Br)cc1CNc1cnccc1-n1cc(C)cn1 95443040 BCDPPSDQSCMAMH-UHFFFAOYSA-N 373.254 3.959 0 40 FHAB Cc1ccc(N2CCC(C(=O)N3CC[C@@H](Cc4ccccc4)C3)CC2)nc1 76507666 NGWKEZJTMIIOOX-FQEVSTJZSA-N 363.505 3.698 0 40 FHAB Cc1ccc(C)c(OC2CCN(CC(=O)NCC3CCCCC3)CC2)c1 78698877 QTAXOCQZQYKCSY-UHFFFAOYSA-N 358.526 3.843 0 40 FHAB COCCn1c(SCc2ccc(F)c(F)c2)nc2ccsc2c1=O 67259785 LXPNFFGDCUMBRT-UHFFFAOYSA-N 368.430 3.675 0 40 FHAB COc1ccc(C)cc1CC(=O)Nc1ccc(OC)c(OC(F)F)c1 22762733 OXMRHYIHPMQOOG-UHFFFAOYSA-N 351.349 3.795 0 40 FHAB COc1ccc(-n2nc3ccc(NC(=O)c4ccco4)cc3n2)cc1Cl 20610797 BIILGXPXIFDHHE-UHFFFAOYSA-N 368.780 3.928 0 40 FHAB COC(=O)c1ccc(CN(Cc2cc(OC)ccc2OC)C2CC2)cc1 28980585 HFMUOSUPLSLXKG-UHFFFAOYSA-N 355.434 3.655 0 40 FHAB CCOC(=O)Nc1cccc(NCC(=O)N2CCc3sccc3C2)c1C 59930590 KMNLPNHXKXFKMH-UHFFFAOYSA-N 373.478 3.622 0 40 FHAB CCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 408548791 VEEAWYZJWMRWMZ-UHFFFAOYSA-N 360.479 3.552 0 40 FHAB CCn1ncc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)c1C 36616221 DMSNRXGOQRZPOQ-UHFFFAOYSA-N 374.448 3.895 0 40 FHAB Cc1n[nH]cc1C(=O)N1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 72358046 CNCCWOPBSRWPGU-HXUWFJFHSA-N 364.424 3.820 0 40 FHAB COC(=O)c1cc(OCC(=O)Nc2ccccc2Cl)c2ccccc2n1 38487123 DFLIVHATYAJMAU-UHFFFAOYSA-N 370.792 3.692 0 40 FHAB O=C(NCCc1ccccc1)N(CC1CC1)C[C@H]1CCCN2CCCC[C@@H]12 1565520600 XSWRUVVOPZVZMA-YADHBBJMSA-N 369.553 3.915 0 40 FHAB biogenic CC(C)(C)c1csc(C2CCN(C(=O)c3cnc4n3CCCC4)CC2)n1 565875846 MQPJEWDYKLWQGN-UHFFFAOYSA-N 372.538 3.993 0 40 FHAB Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCN(Cc3cccnc3)C2)n1 72345955 OEHXYXMMEAGTNM-KRWDZBQOSA-N 363.440 3.640 0 40 FHAB CC(=O)Nc1cccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)c1 226042208 CRVVBCFIWOUDSF-UHFFFAOYSA-N 356.765 3.657 0 40 FHAB CCOc1ccc(C(=O)N[C@@H](C)COc2ccccc2OC)cc1Cl 225159682 SWMIWCKGZAMVMU-ZDUSSCGKSA-N 363.841 3.945 0 40 FHAB COc1cc2c(cc1OC)[C@@H](COc1cccc3cccnc13)NCC2 41127972 KDZXNIBIDXOJDH-QGZVFWFLSA-N 350.418 3.518 0 40 FHAB Cc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1N(C)S(C)(=O)=O 222450967 AXTANTMQSDDMFW-UHFFFAOYSA-N 366.870 3.605 0 40 FHAB CCOC(=O)c1cccc(NC(=S)NCc2cccc(OC)c2)c1C 225834660 VLOVXWAKGVAKRJ-UHFFFAOYSA-N 358.463 3.667 0 40 FHAB CCCCc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 224488326 VICWUFMWVZGUSG-LJQANCHMSA-N 374.506 3.600 0 40 FHAB CC1(C)CCN(C(=O)Nc2ccc(Oc3cccnc3)cc2)CC[S@@]1=O 571045401 HIGGEIDQLTUWEH-SANMLTNESA-N 373.478 3.639 0 40 FHAB CCCOc1ccc(NC(=O)[C@](C)(OCC)C2CC2)cc1C(=O)OCC 225835926 GJHNHSGMLWUADM-HXUWFJFHSA-N 363.454 3.796 0 40 FHAB CC[C@@H](Oc1ccccc1OC)C(=O)n1cc(C(=O)OC)c2ccccc21 222626882 PCNBIRRULDMYHD-QGZVFWFLSA-N 367.401 3.934 0 40 FHAB CC1CCN(Cc2ccc(C(=O)NCCOc3ccccc3)cc2)CC1 224330728 ZRJWKURDLQZNKZ-UHFFFAOYSA-N 352.478 3.727 0 40 FHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N1CCN(c2ccccc2)CC1 224060227 OBPDDVUAMMIJQH-SFHVURJKSA-N 364.489 3.682 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)NCCc1ccc(Cl)cc1 225096551 MMGKCWGKXNAVNT-UHFFFAOYSA-N 360.262 3.523 0 40 FHAB COc1ccc([C@H](N)c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)cc1OC 95533883 INYNGQWQOSXUFT-SFHVURJKSA-N 366.465 3.835 0 40 FHAB COc1ccccc1CC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)no1 98212244 VQZZKXXWBDVMLR-KRWDZBQOSA-N 363.417 3.651 0 40 FHAB CC(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3ccc(F)cc3)C[C@@H]12 96058463 OODGUKZXVGZWRP-FGZHOGPDSA-N 352.453 3.590 0 40 FHAB Cc1nc(-c2nccn2C)cc([C@@H]2CCCCN2C(=O)c2ccccc2)n1 257266995 MFLKHKUZAPEVAV-IBGZPJMESA-N 361.449 3.553 0 40 FHAB Cc1cccc(-c2nc3sc(=Cc4cccc5ccccc45)c(=O)n3n2)c1 254577311 BJDXYQUPGFYFCI-UHFFFAOYSA-N 369.449 3.827 0 40 FHAB COc1cccc(CCC(=O)N2Cc3ccccc3N(C)C[C@H]2C)c1F 585081864 PIQAWARVQKTUIG-OAHLLOKOSA-N 356.441 3.634 0 40 FHAB CCCC1(O)CCN(C(=O)Cc2ccc(NC(=O)CC(C)(C)C)cc2)CC1 585083287 NDGJFEPOIDMJDA-UHFFFAOYSA-N 374.525 3.757 0 40 FHAB Cc1cc(C)n([C@@H](CNC(=O)CSCc2ccccc2)c2ccco2)n1 575614447 TUVOVFODEASIAO-SFHVURJKSA-N 369.490 3.732 0 40 FHAB Cc1ccc2nc(CSc3nncn3CCc3cccs3)cn2c1 65565554 ZPHQLTWOAIIDIT-UHFFFAOYSA-N 355.492 3.831 0 40 FHAB Nc1c(Cl)cc(NC(=O)[C@@H]2CCCN(c3ccccn3)C2)cc1Cl 66042642 BSZLYUIGSFWEIP-LLVKDONJSA-N 365.264 3.826 0 40 FHAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cn(CC)c3ccccc23)C1=O 981099 BOYACLVUZWFOBS-KPENOIPVSA-N 372.446 3.649 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccnc2)o1 5213966 CFCDGLXNLYKZFD-UHFFFAOYSA-N 360.826 3.824 0 40 FHAB Cc1ncccc1-c1cc2cccnc2n1CCC(=O)NCc1ccncc1 12222798 ZCBQLADRSZZQMA-UHFFFAOYSA-N 371.444 3.508 0 40 FHAB CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1cccc(F)c1 12752789 BVSDWTBPBICHKO-KRWDZBQOSA-N 361.392 3.571 0 40 FHAB NC(=O)c1cc(-c2csc(Cc3nc4ccccc4s3)n2)ccc1O 7275206 RNILIEAPFRJWGB-UHFFFAOYSA-N 367.455 3.815 0 40 FHAB COCc1cccc(C(=O)N2CCC[C@@](COc3ccccc3)(OC)C2)c1 2037909273 KXEJYODNPDYGDQ-JOCHJYFZSA-N 369.461 3.533 0 40 FHAB O=C(Cc1noc2ccccc12)N[C@H](c1cccs1)C1CCOCC1 1565523424 NYPSYUKPXZCQDE-IBGZPJMESA-N 356.447 3.716 0 40 FHAB FC(F)(F)c1nnc2n1N=C(c1ccc(Cl)c(Cl)c1)CS2 720343 XXWUYWWZRABVBP-UHFFFAOYSA-N 353.156 3.962 0 40 FHAB COc1ccc(C(=O)NCCc2c(C)[nH]c3ccc(F)cc23)cc1OC 1075020 GIZBOLCXMLLJQQ-UHFFFAOYSA-N 356.397 3.605 0 40 FHAB biogenic,in-vitro CCCC(=O)Nc1nnc(SCC(=O)Nc2ccc(C)cc2C)s1 4077953 PUBKNGCQQDIAEZ-UHFFFAOYSA-N 364.496 3.624 0 40 FHAB CCCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(F)ccc21 4193266 BIPIEJQASOKJKC-UHFFFAOYSA-N 359.422 3.692 0 40 FHAB O=S(=O)(c1cccc(F)c1)N1CCn2cccc2[C@H]1c1ccccc1F 4853857 YPQCYPMDMVLRDB-LJQANCHMSA-N 374.412 3.560 0 40 FHAB O=C(OCc1cc(-c2ccc(F)cc2)on1)c1cc(=O)c2ccccc2o1 11613668 ZSVOUZLVDAHBHP-UHFFFAOYSA-N 365.316 3.944 0 40 FHAB COc1ccccc1Cn1ccnc1SCC(=O)Nc1ccccc1 15825578 XHWBJGSXEBRPCG-UHFFFAOYSA-N 353.447 3.671 0 40 FHAB CC(C)CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1cccnc1 4148625 TXXDKVSRGPBDGS-UQBPGWFLSA-N 362.410 3.805 0 40 FHAB COc1ccc(NC(=O)Cc2ccc(F)cc2)cc1OCc1ccncc1 25853916 BIOSMKYKMIUXBN-UHFFFAOYSA-N 366.392 3.990 0 40 FHAB CC(=O)Nc1ccc(C)c(NC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 40094467 LLBOKTKNCPPJJO-UHFFFAOYSA-N 364.405 3.928 0 40 FHAB COc1cccc(CNC[C@@](O)(c2ccccc2)c2ccc(F)cc2)c1 20365979 LRIMENLXBBPYBL-JOCHJYFZSA-N 351.421 3.860 0 40 FHAB CCN(CC)[C@H](CNC(=O)c1ccc2c(c1)OCCCO2)c1ccsc1 31986823 CFELXRGVWHVWSD-QGZVFWFLSA-N 374.506 3.722 0 40 FHAB CCOC(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1 4244423 ZCXOSSCYCJTBPK-UHFFFAOYSA-N 371.437 3.788 0 40 FHAB CCc1ccccc1NC(=O)CSc1nnc(C)n1-c1ccccc1 6110398 UNEXEQMENGGFFH-UHFFFAOYSA-N 352.463 3.869 0 40 FHAB CN(C)c1cccc(-c2nn3c(COc4ccc(F)cc4)nnc3s2)c1 7465412 BDDRCPKGXPOPOT-UHFFFAOYSA-N 369.425 3.637 0 40 FHAB Cc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2Br)CC1=O 8217143 ZEKWXCOLVFQISB-ZDUSSCGKSA-N 373.250 3.749 0 40 FHAB CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc3ccccc3c2O)CC1 101669266 OFITZFGADHAWQW-OAHLLOKOSA-N 368.477 3.558 0 40 FHAB Cc1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)c1 103505356 LQGNMLUCVWFUFQ-KDURUIRLSA-N 360.413 3.703 0 40 FHAB Cc1cccc(C)c1OCC(=O)N1CCCC[C@@H]1CCN1CCCCC1 21170468 YEXZYILDCGTLDU-HXUWFJFHSA-N 358.526 3.939 0 40 FHAB COC(=O)[C@@H](Nc1nc(-c2ccncc2)nc2ccccc12)C(C)(C)C 75110063 FTGWCDIWROAHEV-MRXNPFEDSA-N 350.422 3.691 0 40 FHAB Cc1cc(C(=O)NCCC(C)C)ccc1NS(=O)(=O)c1ccccc1 10332910 RCSWONLMNBUWNS-UHFFFAOYSA-N 360.479 3.572 0 40 FHAB NC(=O)[C@@H]1CCCN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)C1 8063884 JTMNNXNOCCJWSU-GFCCVEGCSA-N 372.881 3.713 0 40 FHAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1 8290671 REESUYUCXHIPHG-UHFFFAOYSA-N 372.490 3.730 0 40 FHAB COc1ccc(NC(=O)CN(C)C(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1 8302997 VDCHPLSPMDXGPN-CYBMUJFWSA-N 372.490 3.592 0 40 FHAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)C1(C)C 32888983 OHZQFKZWNQQQDQ-IRXDYDNUSA-N 351.454 3.852 0 40 FHAB CC(=O)c1c(C)cc(C)c(CSc2nnnn2Cc2ccco2)c1C 21689028 FHTQBVRYDFHGDU-UHFFFAOYSA-N 356.451 3.735 0 40 FHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N=c1[nH]c2ccccc2[nH]1 12323058 TVHXKIQFLJWOGE-UHFFFAOYSA-N 352.394 3.808 0 40 FHAB Cc1cc(C(=O)N2[C@@H]3CC[C@@H]2CC(S(=O)(=O)c2ccccc2)C3)c(C)o1 101323135 ZAXHZMYMIJASPD-HZPDHXFCSA-N 373.474 3.506 0 40 FHAB COc1ccc(Br)cc1CN(C)Cn1ncsc1=S 24373925 XDJCSNBZPJDMFZ-UHFFFAOYSA-N 360.302 3.535 0 40 FHAB CSc1ncc(C(=O)N(C)Cc2ccoc2C)n1-c1ccc(F)cc1 55474045 FWFXQBPJMUPPLI-UHFFFAOYSA-N 359.426 3.907 0 40 FHAB COc1ccc(NC(=O)c2sc(-c3ccncc3)nc2C)c(OC)c1 71283200 CHCAMHRPWGOBOM-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB COc1ccc(NC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)cn1 12507769 JKVDHVXKNWRLLP-UHFFFAOYSA-N 372.428 3.669 0 40 FHAB CSc1ccc(Cl)c(C(=O)N(C)C[C@H]2COc3ccccc3O2)c1 24657465 HVEHHELXLXFQMV-LBPRGKRZSA-N 363.866 3.974 0 40 FHAB C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 25042989 ZGNIWGKNMHSAIX-NSHDSACASA-N 367.327 3.734 0 40 FHAB COC(=O)c1cccc2c1CCCN2C(=O)c1ccccc1OC(F)F 25191564 UDIXGZDETCQCLV-UHFFFAOYSA-N 361.344 3.668 0 40 FHAB C[C@H](NC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccncc1 44356079 ZCNFSJKVSJWDGT-AWEZNQCLSA-N 373.478 3.681 0 40 FHAB CC(C)(C)OC(=O)Nc1cccc(C(=O)Nn2cnc3ccccc32)c1 27040656 JMGUZICAKXFVPM-UHFFFAOYSA-N 352.394 3.767 0 40 FHAB CC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2N(C)c2ccccc2)C1 44571354 MLRCSWFYMSVJGK-QGZVFWFLSA-N 351.450 3.652 0 40 FHAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc(C)c3C)ccc21 64947099 LCCORZTZGUPLRC-UHFFFAOYSA-N 362.476 3.501 0 40 FHAB CN(Cc1ccccc1NC(=O)NCCc1nccn1C)C1CCCCC1 58316819 YYPFUMMDLHHMIG-UHFFFAOYSA-N 369.513 3.549 0 40 FHAB CC(C)(C)c1ccc(-c2csc(NC(=O)c3cccc[n+]3[O-])n2)cc1 45015860 PJRCVVWOCAXUSA-UHFFFAOYSA-N 353.447 3.993 0 40 FHAB Cc1nnc([C@@H](C)Sc2nnc(S[C@H](C)c3nnc(C)o3)s2)o1 48186805 VYHIPIOWDMJGGL-PHDIDXHHSA-N 370.485 3.628 0 40 FHAB C[C@H](C(=O)NCCC1CCCCC1)n1c(S)nnc1-c1cccs1 58421745 IDMFLHRMDSTHQX-GFCCVEGCSA-N 364.540 3.943 0 40 FHAB O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)Nn1cnc2ccccc21 58556699 XTZQDUGKJQOMFZ-OAHLLOKOSA-N 372.375 3.968 0 40 FHAB O=C(NC1CCCCCC1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 3318993 MRUBBCMBKLZPID-UHFFFAOYSA-N 372.490 3.940 0 40 FHAB Cc1nc2oc3c(N4CCCCC4)ncnc3c2c2c1COC(C)(C)C2 2331089 YBDPHJPSGNABLB-UHFFFAOYSA-N 352.438 3.921 0 40 FHAB C[C@H]1CCCN(C(=O)CSc2nnc(NC3CCCCC3)s2)C1 3316417 LENWCLSDFRMTKQ-LBPRGKRZSA-N 354.545 3.633 0 40 FHAB O=C(CCN1CC=C(c2ccc(O)cc2)CC1)Nc1ccc2c(c1)CCC2 12769825 FXNLVJMSUNCOMU-UHFFFAOYSA-N 362.473 3.999 0 40 FHAB O=C(CCn1cnc2sccc2c1=O)Nc1cccc(Cl)c1Cl 12777129 MMUACUGICZZBKU-UHFFFAOYSA-N 368.245 3.794 0 40 FHAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1ccccc1SC1CCCC1 48260613 NSUZXUSEEIDBFP-AWEZNQCLSA-N 361.511 3.854 0 40 FHAB CC(=O)N[C@H](CC(=O)NCCCSc1ccccc1)c1ccccc1 12822885 PWRKKNVVPUPURG-LJQANCHMSA-N 356.491 3.553 0 40 FHAB CC(C)NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 3484143 DDYXYPDJRXAUCT-UHFFFAOYSA-N 364.474 3.822 0 40 FHAB CNC(=O)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 3518099 BLUGGUWWFYWMLJ-UHFFFAOYSA-N 367.430 3.556 0 40 FHAB Cc1ccc(OCC(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)cc1 13843263 LHUBNDVSWBLELQ-UHFFFAOYSA-N 367.430 3.721 0 40 FHAB CCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)N3CCCC3)c12 4450658 FHODCQNBLLDHIN-UHFFFAOYSA-N 352.356 3.571 0 40 FHAB COc1ccc(C(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)cc1 14015131 UDHBYEBZTBVKQY-UHFFFAOYSA-N 364.401 3.569 0 40 FHAB CN(Cc1ccc(OCC(F)F)cc1)Cc1cn(C)nc1C(F)(F)F 92068866 DRIMOEWYIMFXJB-UHFFFAOYSA-N 363.330 3.715 0 40 FHAB O=C(CC12CC3CC(CC(C3)C1)C2)OCC(=O)c1ccc2c(c1)OCO2 6429821 JCPUCNPVDVJCDK-UHFFFAOYSA-N 356.418 3.748 0 40 FHAB O=C(c1cccc(Oc2ccccc2)c1)N1CCN(c2ccccn2)CC1 6453763 UTASMKMLSUVAAD-UHFFFAOYSA-N 359.429 3.836 0 40 FHAB Cn1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)n1 14134696 LYGNDFILLXHJPA-UHFFFAOYSA-N 361.380 3.664 0 40 FHAB CCOc1c(Br)cc(Cl)cc1NC(=O)c1cnc(C)cn1 14196973 JZYBPVCKASSSSV-UHFFFAOYSA-N 370.634 3.852 0 40 FHAB COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(OC)c1OC 4677623 UZGYFWZBUFUQAU-UHFFFAOYSA-N 372.446 3.556 0 40 FHAB Cc1ccc(Cl)c(OCC(=O)Nc2cccc(N3CCCC3=O)c2)c1 6987876 XAGOGJSYUPCWBZ-UHFFFAOYSA-N 358.825 3.793 0 40 FHAB CCOc1cc(/C=C2/SC(=O)NC2=O)cc(Br)c1OCC 5953429 HTXRQINIPXBGON-YRNVUSSQSA-N 372.240 3.570 0 40 FHAB Cc1ccc(Cl)c(NC(=O)Cn2c(=O)cnc3ccccc32)c1Cl 7813336 YJMNVFOLWHCBAS-UHFFFAOYSA-N 362.216 3.650 0 40 FHAB Cc1ccc(CN2C(=O)N/C(=C/c3ccccc3Br)C2=O)cc1 409243544 SGVAGQSLXDCBCJ-MHWRWJLKSA-N 371.234 3.850 0 40 FHAB CC(C)(C)c1csc(NC(=O)CCn2c(=O)sc3ccccc32)n1 8856476 GKTODDOTYLMQFY-UHFFFAOYSA-N 361.492 3.846 0 40 FHAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cccc(OC)c3OC)S2)cc1 408782388 GPGYBVZITNUPKL-PGNDWZGLSA-N 370.474 3.866 0 40 FHAB NC(=O)c1ccc(CSc2nc(NC3CC3)c3ccccc3n2)cc1 9666382 YGOUIKDKVBWTKF-UHFFFAOYSA-N 350.447 3.595 0 40 FHAB c1cc2c(cc1CCN1CCCN(CC3CCCCC3)CC1)OCCO2 96007714 RPHVYLVPGZXXOW-UHFFFAOYSA-N 358.526 3.588 0 40 FHAB CCc1nc2cc(S(=O)(=O)Nc3ccc4ncccc4c3)ccc2o1 96007287 INNCFWRCELCENJ-UHFFFAOYSA-N 353.403 3.739 0 40 FHAB Fc1ccccc1N1CCN(Cn2[nH]c(-c3ccccc3)nc2=S)CC1 9469184 YGZOUVNNWSVRPY-UHFFFAOYSA-N 369.469 3.526 0 40 FHAB COc1ccc2c(CSc3nc(N)c4ccsc4n3)cc(=O)oc2c1 9743703 IEQWIHNVCKKLPY-UHFFFAOYSA-N 371.443 3.681 0 40 FHAB Cc1cnc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)s1 9500877 OQERYWCDJSCCSZ-FYMRZPMTSA-N 373.522 3.597 0 40 FHAB Cc1nc(C2CC2)nc2sc(C(=O)NC3(C(=O)O)CCCCC3)c(C)c12 71802781 LYDGKEPODKLICY-UHFFFAOYSA-N 373.478 3.703 0 40 FHAB CC(C)COc1ccccc1[C@@H](CC(C)C)Nc1ccc2nnnn2n1 72307344 XXCHHBIZVGVUSH-MRXNPFEDSA-N 354.458 3.753 0 40 FHAB COCCn1c(C(=O)NCCCN(C)c2ccccc2)cc2ccccc21 72302725 MWBZCXSDXUWSBV-UHFFFAOYSA-N 365.477 3.544 0 40 FHAB Cc1cc(N(C)C)ccc1NC(=O)CSC(=S)N1CCC(C)CC1 95350851 QGVZHPJJKZFIFS-UHFFFAOYSA-N 365.568 3.750 0 40 FHAB COc1ccc2[nH]cc(CCNC(=O)c3ccc4nc(C)c(C)nc4c3)c2c1 95472315 PBFVFLFSCQZFBY-UHFFFAOYSA-N 374.444 3.709 0 40 FHAB CN1CCCN(C(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)CC1 95408297 TXUBZJCXQQOEGX-UHFFFAOYSA-N 362.493 3.764 0 40 FHAB COc1ccc(-n2c(Sc3ccccn3)nnc2-c2ccncc2)cc1 409107974 TXKDGCDDCVVKNG-UHFFFAOYSA-N 361.430 3.884 0 40 FHAB Cc1cc(C)c(OCC(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)c(C)c1 23074580 FSSSZCLIECBVJF-KRWDZBQOSA-N 367.445 3.512 0 40 FHAB Cc1ccc(OCc2nc(-c3cccnc3OCC(F)F)no2)cc1C 546555633 MQYYYTXNTRYODS-UHFFFAOYSA-N 361.348 3.971 0 40 FHAB Cc1nc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)ccc1-c1ccccc1 529106398 VZBZZIQTMBHYPN-KRXBEKAOSA-N 369.490 3.574 0 40 FHAB CCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 33665115 OXZCVFRYAXFJRH-UHFFFAOYSA-N 366.870 3.507 0 40 FHAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3sccc3C)C2=O)o1 33398168 QFJHCDBCAUSEKU-NTUHNPAUSA-N 363.416 3.673 0 40 FHAB CC(=O)Nc1cccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1 39767827 XZQJTRDSEOZING-UHFFFAOYSA-N 365.477 3.804 0 40 FHAB O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1cc(F)cc(F)c1 33052356 QMFRBJXTRUYMQQ-UHFFFAOYSA-N 365.401 3.933 0 40 FHAB COc1ccc(-c2cc3c(=O)n(Cc4cc(C)ccc4C)ccn3n2)cc1 64977400 WMOPAZCPVKJTPI-UHFFFAOYSA-N 359.429 3.837 0 40 FHAB Cc1noc(C)c1CCC(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 72389453 LNJANQRUJOAUNJ-SFHVURJKSA-N 352.438 3.854 0 40 FHAB Cc1cc(Br)cc(C)c1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O 226404854 SUWDGXUJCJKDOO-FWXGHANASA-N 372.262 3.623 0 40 FHAB Cc1cc(C)cc(OCC(=O)NCc2cccc(CN3CCCCC3)c2)c1 224670625 YGXCFXNQXJTNND-UHFFFAOYSA-N 366.505 3.985 0 40 FHAB Cc1cccc(CN2CCC(C(=O)NCCOCc3ccccc3)CC2)c1 224529003 BAIDPJMFPBJRLZ-UHFFFAOYSA-N 366.505 3.540 0 40 FHAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccco2)N1c1ccc2c(c1)OCO2 223999086 QPNZKQPNNUZBMB-ROUUACIJSA-N 365.414 3.580 0 40 FHAB CCSc1ccccc1C(=O)NCC1CCN(c2cccnc2)CC1 225654923 ZPDRCCVWYMPJMW-UHFFFAOYSA-N 355.507 3.840 0 40 FHAB CCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C 225745529 LXMLMUNEMZOIND-OAQYLSRUSA-N 366.505 3.809 0 40 FHAB CCCn1nccc1-c1cnc(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cn1 257282559 OUGJCXFUWFPKME-INIZCTEOSA-N 369.513 3.577 0 40 FHAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccnc(OCC2CC2)c1 253401349 MSVWSQBQVVZRKR-UHFFFAOYSA-N 364.367 3.862 0 40 FHAB CO[C@@H](C(=O)Nc1ccc(F)cc1Nc1ccccc1F)[C@@H]1CCOC1 613419222 KLSRXARUSWIZDR-KZULUSFZSA-N 362.376 3.698 0 40 FHAB Cc1ncc(CNC[C@H](c2ccccc2)N2CCc3sccc3C2)o1 628203231 YVTYVENYSNTZLC-LJQANCHMSA-N 353.491 3.934 0 40 FHAB Cc1ncc(CNC[C@@H](c2ccccc2)N2CCc3sccc3C2)o1 628203230 YVTYVENYSNTZLC-IBGZPJMESA-N 353.491 3.934 0 40 FHAB Cc1noc(C)c1Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1 90610233 PKZDCLJTGVTPLC-UHFFFAOYSA-N 364.361 3.587 0 40 FHAB O=C1C[C@@]2(CCN(C(=O)CSc3ccc(F)cc3)C2)Oc2ccccc21 96367349 ZWRDMJIYBLXKBB-HXUWFJFHSA-N 371.433 3.554 0 40 FHAB COc1cccc(CNc2ccccc2C(=O)N2CCC[C@H]2CO)c1Cl 656646253 DTCCNKUWUZAIHU-HNNXBMFYSA-N 374.868 3.558 0 40 FHAB C[C@@H]1CCCCN1CCCNC(=O)c1ccc(COc2ccccc2)o1 57997342 FNVJUZRUUFHDNT-QGZVFWFLSA-N 356.466 3.853 0 40 FHAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cnc(O)c2ccccc12)CC3 682454282 KKIMFATTZLGCSB-UHFFFAOYSA-N 357.413 3.929 0 40 FHAB Cn1nc(-c2cccs2)cc1CNC(=O)C12CC3CC(CC(C3)C1)C2 1775966379 AXTRVLXVGNDJSO-UHFFFAOYSA-N 355.507 3.981 0 40 FHAB CN(C)C(=O)[C@@H](OC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 5464375 YBGXNNZJORBOSP-HNNXBMFYSA-N 352.217 3.980 0 40 FHAB Cc1c(-c2cccs2)n[nH]c1NC(=O)c1ccc(Cn2cccn2)cc1 12147452 JXDKVKURKLAOGR-UHFFFAOYSA-N 363.446 3.944 0 40 FHAB O=C(CCn1c(-c2ccccn2)cc2cccnc21)NCc1cccc(F)c1 12361020 VCLLWWPJDWPRPT-UHFFFAOYSA-N 374.419 3.944 0 40 FHAB CCC[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2ON1c1ccccc1 18210164 LTTLSGHQIKASEQ-BZSNNMDCSA-N 370.836 3.819 0 40 FHAB Cc1csc(-c2nc(N3CC[C@H](O)[C@@H](C)C3)ncc2-c2ccsc2)n1 19240278 FTPOSKNMGDQSTC-NHYWBVRUSA-N 372.519 3.844 0 40 FHAB Cn1cc(-c2cc(C(=O)Nc3nc(-c4ccccc4F)cs3)no2)cn1 19290768 OZSOTQJEFXIIKG-UHFFFAOYSA-N 369.381 3.590 0 40 FHAB CCCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(C)=O 19501683 CIVWBWGUQMUHIH-ZVDOUQERSA-N 360.473 3.711 0 40 FHAB NC(=O)c1ccc(NC(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)cn1 163787111 YBBFSFNZBYDVJC-KRWDZBQOSA-N 372.856 3.983 0 40 FHAB CCCN(C(=O)c1ccc(C(F)(F)F)c(O)n1)[C@@H]1C[C@@H](OCC)C1(C)C 669088329 UEPFFOUPFMFYDQ-ZIAGYGMSSA-N 374.403 3.862 0 40 FHAB CN(C(=O)c1ccccc1)C1CCC2(CC1)CNCc1ccccc1O2 19586738 BZYIZMHVBGJGFM-UHFFFAOYSA-N 350.462 3.622 0 40 FHAB Cc1cc(OCC2CCN(c3nccn4nc(C5CC5)cc34)CC2)ccn1 1888890073 KSEXZDCWSXYKPR-UHFFFAOYSA-N 363.465 3.606 0 40 FHAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Br)o2)c1 1889128186 CHTHTYFEIFHEJO-FUNVUKJBSA-N 364.243 3.555 0 40 FHAB CCc1ccc(C(=O)N2CCC[C@@](O)(COc3ccccc3)CC2)cc1 2037912870 ADQNOSRMSRGPJR-QFIPXVFZSA-N 353.462 3.685 0 40 FHAB CCc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(C)cc1)cn2CC 4193366 IIARAEZOMPGSMQ-UHFFFAOYSA-N 355.459 3.725 0 40 FHAB Cc1ccc(-n2ncc3c(=O)n(Cc4ccccc4Cl)cnc32)c(C)c1 4479318 CGPGYRVHQIHYNY-UHFFFAOYSA-N 364.836 3.901 0 40 FHAB CCCCc1ccc(NC(=O)CSc2nnc(C)n2-n2cccc2)cc1 4518483 GWSVEIMIRADDER-UHFFFAOYSA-N 369.494 3.773 0 40 FHAB CC(C)c1ccc(-n2nnc(-c3nc(-c4ccccc4F)no3)c2N)cc1 5043292 UZQKVAMOXFXUKP-UHFFFAOYSA-N 364.384 3.829 0 40 FHAB O=C(Cc1c(F)cccc1Cl)NCC[C@H](CCO)c1cccs1 618257233 SMTFWKWUJVTXLQ-GFCCVEGCSA-N 355.862 3.756 0 40 FHAB O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)cc1 19683026 VDNKZUIOXLFLDG-UHFFFAOYSA-N 364.766 3.564 0 40 FHAB COc1cc(C(=O)Nc2ncccc2C)ccc1OCc1cscn1 30557260 WNWMVLFUNVJTJZ-UHFFFAOYSA-N 355.419 3.686 0 40 FHAB O=C(Nc1ccc2oc(O)nc2c1)c1csc(Cc2ccccc2)n1 30600319 LDXGDARMOKZZDK-UHFFFAOYSA-N 351.387 3.833 0 40 FHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCCc1cccs1 31173485 HWCCCTPXURWAFB-UHFFFAOYSA-N 366.433 3.836 0 40 FHAB CCC(=O)Nc1sc(C(=O)Nc2ccccc2F)c(C)c1C(=O)OC 871280 CZXJTBRKQXGRIH-UHFFFAOYSA-N 364.398 3.583 0 40 FHAB CN1CCc2c(sc3nc(SCCCc4ccccc4)nc(N)c23)C1 20440889 YUBOIGFFHYYMQB-UHFFFAOYSA-N 370.547 3.986 0 40 FHAB Cc1ccccc1[C@@H](CC(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C)NC(N)=O 70037338 YJWIHDZMPZNNFT-RYQLBKOJSA-N 356.466 3.630 0 40 FHAB O=C1NC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)C(=O)N1Cl 1606884 YZGULHHKCSRAND-UHFFFAOYSA-N 355.608 3.943 0 40 FHAB O=C1[C@@H]2Nc3ccccc3S[C@H]2C(=O)N1c1ccccc1C(F)(F)F 1624098 YBQRTYUDGSJFHG-ZIAGYGMSSA-N 364.348 3.534 0 40 FHAB C[C@H](OC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)C(N)=O 3431958 HQXUNWFDNGTUMK-NSHDSACASA-N 354.793 3.586 0 40 FHAB COc1ccccc1Cn1c(CCNC(=O)C(C)(C)C)nc2ccccc21 4385655 JFJRKTIIWZAKPN-UHFFFAOYSA-N 365.477 3.798 0 40 FHAB CCCOc1ccc(N2C[C@H](C(=O)Nc3cccc(F)c3)CC2=O)cc1 6880946 VDZHCMQLFLRDKJ-CQSZACIVSA-N 356.397 3.606 0 40 FHAB COCCCNC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 7604388 SCOFVTOEUVKTKZ-UHFFFAOYSA-N 370.836 3.595 0 40 FHAB Cc1cc(C)cc(OCC(=O)NCc2ccccc2CN2CCCCC2)c1 7850156 BHNRYKOTUBNBPZ-UHFFFAOYSA-N 366.505 3.985 0 40 FHAB COC(=O)c1ccc(COC(=O)c2ccc(-c3ccc(C=O)o3)cc2)cc1 8092306 RVFGOJOAWOOSOI-UHFFFAOYSA-N 364.353 3.903 0 40 FHAB Oc1ccc(N2CCN(CCOc3c(Cl)cccc3Cl)CC2)cc1 37074098 LPTMPIIZSRWCML-UHFFFAOYSA-N 367.276 3.900 0 40 FHAB CCn1c(S)nc2cc(C(=O)N[C@@H](C)c3ccccc3C)ccc2c1=O 102170342 XVYPTUIAJSRFRI-ZDUSSCGKSA-N 367.474 3.505 0 40 FHAB O=C(C[S@](=O)Cc1c(F)cccc1Cl)N1CCCc2ccccc21 32765071 YVSOQFQQSVRCTJ-DEOSSOPVSA-N 365.857 3.707 0 40 FHAB O=C(Nc1ccc(F)c(F)c1F)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32796409 MTGLKKPHLTUTKM-ZDUSSCGKSA-N 374.362 3.584 0 40 FHAB Cc1nc2cc(F)cc(C(=O)NCCCN(C)c3ccccc3)c2nc1C 69327194 NORWXYAPEZKUQB-UHFFFAOYSA-N 366.440 3.642 0 40 FHAB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1cccc2ncccc12 23433133 DMSVFJCBXSHYNV-CYBMUJFWSA-N 367.478 3.672 0 40 FHAB Cc1cc(CN2CCC3(CC2)C[C@H]3c2nnc(-c3ccccc3)o2)on1 75134647 KMWIHXYOJWUKCH-KRWDZBQOSA-N 350.422 3.803 0 40 FHAB CSc1ncc(Cl)c(C(=O)N(C)Cc2ccc([C@@H]3C[C@H]3C)o2)n1 32970342 OMRUTJFRRVEWER-MWLCHTKSSA-N 351.859 3.841 0 40 FHAB Cc1ccc(OCCNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 109476430 VEBVWRVWQMVSDT-UHFFFAOYSA-N 363.461 3.665 0 40 FHAB COc1ccc(-c2nsc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)n2)cc1 12111418 CRHUDIKWAAMFAD-LLVKDONJSA-N 373.409 3.759 0 40 FHAB CCCc1n(C[C@H](O)COc2cccc(Cl)c2)c2ccccc2[n+]1C 644777 MWUMFOOHFIHXEB-INIZCTEOSA-N 359.877 3.512 0 40 FHAB C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCc3ccccc32)C1 46869661 MHZIYAZABLGYJH-QRQLOZEOSA-N 354.494 3.641 0 40 FHAB O=C(NCc1ccccc1Cl)c1cn2c3c(cccc3c1=O)CCC2 22235139 ZKFVRWWKNHNVAD-UHFFFAOYSA-N 352.821 3.531 0 40 FHAB CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(C2CCCCC2)CC1 22923127 ZITJEYGHRXEHNH-WOJBJXKFSA-N 363.590 3.658 0 40 FHAB Cc1cccn2c(=O)cc(COC(=O)c3cc(Cl)cc(Cl)c3)nc12 23221119 MXXYZLGREPGAFO-UHFFFAOYSA-N 363.200 3.667 0 40 FHAB Cc1ccc(C(=O)O)cc1NS(=O)(=O)c1c(Cl)cccc1Cl 23805067 WZSABUGVQKEYOG-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB O=c1c2ccccc2nc(SCCN2CCCCC2)n1-c1ccccc1 1254912 KRVMHGJOOQVEHU-UHFFFAOYSA-N 365.502 3.964 0 40 FHAB O=C(NCc1ccccc1)C1CCN(c2nc3ccccc3s2)CC1 26760938 RNZWERCYZAARLO-UHFFFAOYSA-N 351.475 3.829 0 40 FHAB Cc1ccc(CN(C)C(=O)CC[C@@H]2Cc3ccccc3NC2=O)c(C)c1 12553096 NQDDQDZYPXFFEB-GOSISDBHSA-N 350.462 3.853 0 40 FHAB CCOc1ncccc1CNC(=O)N[C@@H]1CCSc2ccc(F)cc21 12544978 IMNHGZSJBGRSMP-OAHLLOKOSA-N 361.442 3.656 0 40 FHAB Cc1cc(OCCn2c([C@@H](C)NC=O)nc3ccccc32)ccc1Cl 35145596 GKAHFKKDDIETLF-CQSZACIVSA-N 357.841 3.884 0 40 FHAB Cc1ccc(C)c(NC(=O)COC(=O)c2cc(Cl)nc(Cl)c2)c1 3240477 OTJKBNNUSSSUBY-UHFFFAOYSA-N 353.205 3.801 0 40 FHAB CCn1c(C)cc(C(=O)COC(=O)Cn2c(C)cc3ccccc32)c1C 10622099 PEMUJQFFOXHSSV-UHFFFAOYSA-N 352.434 3.814 0 40 FHAB COc1ccc(OC)c([C@@H]2CCCN2Cc2nc(O)c3sccc3n2)c1 12684441 LJEDHFGHIATEOY-HNNXBMFYSA-N 371.462 3.751 0 40 FHAB CCN(C(=O)COC(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1 3329433 CNDYLWQATQUCGG-UHFFFAOYSA-N 353.205 3.598 0 40 FHAB CCN(CC)CCn1ccc2cc(NC(=O)Nc3cc(C)on3)ccc21 58310059 ORYDIOADGVZPNI-UHFFFAOYSA-N 355.442 3.924 0 40 FHAB CC(=O)Nc1ccc(C(=O)n2ccc(C)c/c2=N\C2CCCCC2)cc1 10799532 QAYGDXULMBZMKV-BSYVCWPDSA-N 351.450 3.677 0 40 FHAB CCOC(=O)Oc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1 2368129 PBXGNVLTEUKCOP-YBEGLDIGSA-N 355.321 3.706 0 40 FHAB C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1cccnc1N1CCCC1 48252029 FZPNLKDSYMOAES-HNNXBMFYSA-N 351.450 3.577 0 40 FHAB COc1cc(CNC(=O)c2ccsc2)ccc1OCc1ccncc1 48344729 FIFOHUBYNWFWGP-UHFFFAOYSA-N 354.431 3.661 0 40 FHAB Cc1noc(C)c1CC(=O)NCc1ccc(CN2C[C@@H](C)C[C@@H](C)C2)cc1 48311109 LAXRRWSRNZJTBO-IYBDPMFKSA-N 369.509 3.628 0 40 FHAB CCS(=O)(=O)Nc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 48356528 XQOLCWKMAKHQCJ-UHFFFAOYSA-N 371.462 3.501 0 40 FHAB CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CN1CCCC[C@@H]1C 12858599 MQJSDMUGXYWOGF-ROUUACIJSA-N 373.541 3.743 0 40 FHAB COc1cccc(-c2nc(C(=O)Nc3nc(C)cs3)cs2)c1OC 12824134 HLCHJVIVBZSRLS-UHFFFAOYSA-N 361.448 3.845 0 40 FHAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2cc(C)ccc2C)C1=O 3465015 OHXIRCBGCALNNB-QFIPXVFZSA-N 364.445 3.734 0 40 FHAB Cc1cc(C)c(S(=O)(=O)N(C)Cc2cnn(-c3ccccc3)c2)c(C)c1 12915091 YREXEAHMLYUUGI-UHFFFAOYSA-N 369.490 3.618 0 40 FHAB Cc1cccc(OCC(=O)NCc2ccccc2CN2CCCC2)c1C 24189347 SIJMZKZXXVTGDY-UHFFFAOYSA-N 352.478 3.594 0 40 FHAB CCc1ccc(CN2Cc3cc(Br)ccc3OCC2=O)cc1 65184420 OOCASNQYISDZFV-UHFFFAOYSA-N 360.251 3.933 0 40 FHAB Cc1cccc(N2C(=O)S/C(=C\c3ccc(OCC(=O)O)cc3)C2=O)c1 4357121 LKLQMPGWVZBHBF-YBEGLDIGSA-N 369.398 3.699 0 40 FHAB COc1cc(C(=O)OCC(=O)c2cc(C)n(C)c2C)ccc1OCC(C)C 4333401 UTKICONACWRXCH-UHFFFAOYSA-N 373.449 3.725 0 40 FHAB Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(-c3cccnc3)no2)s1 65286622 ARUKBZNATXJKGN-AWEZNQCLSA-N 354.435 3.869 0 40 FHAB Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccc(Cl)cn2)n1 13945139 APXUDAXLYGCGRS-UHFFFAOYSA-N 362.764 3.583 0 40 FHAB Cc1nn2c3c(cnc2c1-c1ccc(Br)cc1)C(=O)CCC3 8992644 XKXRNRWKTXDDGT-UHFFFAOYSA-N 356.223 3.986 0 40 FHAB CS(=O)(=O)c1ccc(NC(=O)CSCc2ccccc2Cl)cc1 14108663 HXVQBHTZLKJNGI-UHFFFAOYSA-N 369.895 3.615 0 40 FHAB Cc1cc(C(=O)COC(=O)Cc2c[nH]c3ccccc23)c(C)n1C1CC1 5401538 OCJFXUDTORLSNV-UHFFFAOYSA-N 350.418 3.890 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)Nc3nc4ccccc4s3)CC2=O)cc1C 21450392 SCZMXNYQGNTVLI-CQSZACIVSA-N 365.458 3.905 0 40 FHAB COc1ccc(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)cc1OC 6921307 HTPZWPKFDLYXHB-UHFFFAOYSA-N 374.780 3.764 0 40 FHAB O=C(OCCCn1c(=O)[nH]c2ccccc21)c1csc2c1CCCC2 15276755 RWJVOLXFWJXOMU-UHFFFAOYSA-N 356.447 3.517 0 40 FHAB O=C(Cc1ccc(-c2ccccc2)cc1)NCc1ccc2c(c1)OCCO2 15557472 AXWAIBQKMIFKKP-UHFFFAOYSA-N 359.425 3.984 0 40 FHAB COc1ccc(F)cc1C(=O)COC(=O)C1(c2ccc(Cl)cc2)CC1 7491215 ZGKFVPCPQTUNSE-UHFFFAOYSA-N 362.784 3.945 0 40 FHAB O=C(NC[C@@H]1CCCO1)c1ccc(COc2cccc3ccccc23)o1 28227488 UZDJEYLFJJKZMG-INIZCTEOSA-N 351.402 3.921 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1C(=O)N1CCCCC1 16014398 QHNHXAUQRYUMIO-UHFFFAOYSA-N 361.445 3.975 0 40 FHAB COc1ccc2c(CC(=O)N[C@H](C)c3ccc4c(c3)OCCO4)coc2c1 7986971 VETPIGBGBHCJKM-CYBMUJFWSA-N 367.401 3.633 0 40 FHAB Cc1ccc(NC(=O)CC(C)C)cc1S(=O)(=O)N1CCCCCC1 8130173 NQNKNJDBNVGTEN-UHFFFAOYSA-N 352.500 3.544 0 40 FHAB O=C(CCSCc1c[nH]c2ccccc12)NCc1ccc2c(c1)OCO2 9614602 WOXLACBLAUKKIQ-UHFFFAOYSA-N 368.458 3.836 0 40 FHAB CCOc1ccc(NC(=O)CSc2nc3cc(OC)ccc3n2C)cc1 9356264 TUQKWTVKGVKZGZ-UHFFFAOYSA-N 371.462 3.711 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1cccs1 9484192 YHWVVFBNDHJJAV-SNVBAGLBSA-N 353.827 3.903 0 40 FHAB S=c1oc(-c2ccccc2)nn1CN1CCN(Cc2cccs2)CC1 96865444 APQBPSNLXRCEOU-UHFFFAOYSA-N 372.519 3.709 0 40 FHAB Cc1noc(C)c1NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 84025589 PTTUZVWWYDYROT-UHFFFAOYSA-N 365.418 3.853 0 40 FHAB CCc1noc(CC)c1CC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 87372299 GLGZIZBTFSSPKZ-IBGZPJMESA-N 355.482 3.772 0 40 FHAB CC1(C)CC[C@@H](NC(=O)[C@@H]2CSCN2C(=O)C2CCC2)c2ccccc21 78470202 GGEZFGHPCVGVPD-MSOLQXFVSA-N 372.534 3.617 0 40 FHAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1cc2sc(N(C)C)nc2s1 84692046 XXFKRAPMCPIUBX-VXGBXAGGSA-N 367.540 3.749 0 40 FHAB COc1cccc(-c2nnc(CN3[C@@H](C)COC[C@@H]3c3ccccc3)o2)c1 95452655 LQVAVWNJGRBFDO-HNAYVOBHSA-N 365.433 3.707 0 40 FHAB CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1nc2c(s1)CCCCCC2 84739812 XUNQIQRPWLTMTR-OAHLLOKOSA-N 363.527 3.922 0 40 FHAB Cc1ccc(OCc2nc(CNC[C@H](C)Cn3ccnc3)cs2)cc1 95959243 PUDDXEKJDZBXFT-INIZCTEOSA-N 356.495 3.653 0 40 FHAB c1cncc(CN2C[C@@]3(CCN(Cc4ccsc4)C3)c3ncccc32)c1 306133534 MOLDHKRJXODENH-NRFANRHFSA-N 362.502 3.702 0 40 FHAB Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccco2)cc1C 408839262 PQHKPHOCYFWVOR-UHFFFAOYSA-N 374.396 3.797 0 40 FHAB COCCCN1C(=O)S/C(=C/c2ccc(OC)c3ccccc23)C1=O 409227528 PTJMYVNFRPZQIG-SFQUDFHCSA-N 357.431 3.921 0 40 FHAB CCc1ccc(NC(=O)[C@@H](C)Nc2cccc(N3CCCC3=O)c2)cc1 25701715 LVWMLPLWYOOQTL-OAHLLOKOSA-N 351.450 3.815 0 40 FHAB C[C@@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1ccc(Cl)c(Cl)c1 23075119 WLHMNNWEOGRRNN-QLJPJBMISA-N 364.228 3.952 0 40 FHAB CCCCOC(=O)c1ccc(NC(=O)Cc2cc(OC)ccc2OC)cc1 20447913 JVDTZPUEUTYDTE-UHFFFAOYSA-N 371.433 3.842 0 40 FHAB Cc1cccc(C2=N/C(=C/c3ccncc3)C(=O)N2c2ccc(O)cc2)c1 408841794 LMZQJZMVLBQJGI-XSFVSMFZSA-N 355.397 3.930 0 40 FHAB COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccccc3)cc12 2254881 JHETVJONUSQRAC-UHFFFAOYSA-N 354.358 3.764 0 40 FHAB biogenic CC1CCN(c2ccccc2NC(=S)NC(=O)Cc2ccccc2)CC1 408628430 SYEUHTXFDAZGRI-UHFFFAOYSA-N 367.518 3.979 0 40 FHAB CN1CCN(c2ncccc2[C@@H]2CCCCN2Cc2ccccc2)CC1 72216608 LNVBLEIGBNMYPA-NRFANRHFSA-N 350.510 3.561 0 40 FHAB O=C(c1cccnc1)N1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1 72358701 CVDVGKUJSJBGCC-QGZVFWFLSA-N 362.408 3.698 0 40 FHAB Cc1ccc(S(=O)(=O)N(C2CC2)[C@@H](C)C2CC2)c(Br)c1 30337025 HOAHASLAYYMZIT-NSHDSACASA-N 358.301 3.709 0 40 FHAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2C)cc1OC 36620663 VHPGCTMCRMUCJH-QGZVFWFLSA-N 361.463 3.538 0 40 FHAB O=C(C1CCCCC1)N1CCC(c2cc(Nc3ccccn3)n[nH]2)CC1 72355035 OFUMUIKFWDQQRT-UHFFFAOYSA-N 353.470 3.835 0 40 FHAB Cn1nc(CCNC(=O)N2CCCC[C@@H]2c2nccs2)c2ccccc21 185878188 XCZVPHKILICMQA-QGZVFWFLSA-N 369.494 3.509 0 40 FHAB C[C@H](Oc1cccc2ccccc12)C(=O)NCc1nc(-c2ccccc2)no1 219048274 SWUGPOYIUOYJBB-HNNXBMFYSA-N 373.412 3.974 0 40 FHAB CC1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cc(Cl)cc(Cl)c1 71979913 HPNRUBCDNHODEO-FBUIMKQZSA-N 372.248 3.825 0 40 FHAB CC(C)c1ccc(OCC(=O)Nc2ccccc2N2CCN(C)CC2)cc1 36783563 JGLXOJDKKGPDLL-UHFFFAOYSA-N 367.493 3.579 0 40 FHAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(C)=O)C1 72391195 ANPNIUOKKZZWQW-NRFANRHFSA-N 370.518 3.722 0 40 FHAB Cc1cc(Nc2ncc(C)s2)cc([C@H]2CCCN2Cc2ccnn2C)n1 72372603 JIYHBEFATVXGIY-GOSISDBHSA-N 368.510 3.969 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 223088616 PBPFUZBKEPLXJU-IBGZPJMESA-N 372.896 3.744 0 40 FHAB O=C(Cc1c(F)cccc1Cl)NCc1ccnc(-c2cccnc2)c1 225640485 RCUQBPBSTJYFDD-UHFFFAOYSA-N 355.800 3.795 0 40 FHAB C[C@]1(C(=O)NCCCc2ccccc2F)CC(c2ccccc2F)=NO1 223272294 PRLDTPAUQFZQJF-HXUWFJFHSA-N 358.388 3.597 0 40 FHAB Cc1ccc(CSCCNS(=O)(=O)c2ccc(F)cc2C)cc1 225592064 UZRQZVQMXGLPCD-UHFFFAOYSA-N 353.484 3.654 0 40 FHAB O=S(=O)(NCCSC1CCCC1)c1cc(Cl)ccc1Cl 223739347 AQZIBHOLFMPBPX-UHFFFAOYSA-N 354.324 3.948 0 40 FHAB COC[C@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2)o1 224914451 XHNZPIBSDFFCKT-AWEZNQCLSA-N 366.417 3.782 0 40 FHAB CC[C@H](CCS(=O)(=O)c1ccccc1)NC(=O)c1ccc(Cl)cc1 80345748 NMVUTSAZWCLVRG-MRXNPFEDSA-N 365.882 3.712 0 40 FHAB O=C(/C=C/c1ccccc1OC(F)F)NCc1ccc(N2CCCC2)nc1 40072287 BTXBYEHXHABPRW-CSKARUKUSA-N 373.403 3.613 0 40 FHAB COc1ncc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C 225876753 VBYINHZGJURZCT-UHFFFAOYSA-N 360.841 3.739 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C 223004227 VUWXOVRSRUOGQU-NRFANRHFSA-N 366.505 3.708 0 40 FHAB COc1ccccc1OCCNC(=O)[C@@H](C)Oc1cccc2ccccc12 224288176 NGTJSQKRMUKPDC-MRXNPFEDSA-N 365.429 3.811 0 40 FHAB O=C(NCCOc1ccc(Cl)cc1)c1ccc(CN2CCCC2)cc1 224094007 OHNYFHOMZCAEFQ-UHFFFAOYSA-N 358.869 3.745 0 40 FHAB O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)N1CCC[C@H](c2ncc[nH]2)C1 333762677 WBCXJDCVXZCPJO-GBESFXJTSA-N 352.482 3.710 0 40 FHAB CC[C@@H](C)N[C@H]1CC2(CCN(c3ncccn3)CC2)Oc2ccccc21 96242793 GAIUIXIDXPVBKL-AEFFLSMTSA-N 352.482 3.728 0 40 FHAB Cc1nc(-c2ccnn2C(C)C)cc(C2CCN(C(=O)C(C)(C)C)CC2)n1 257228158 FSOLSNNKKJDXAR-UHFFFAOYSA-N 369.513 3.982 0 40 FHAB Cc1cnc(Nc2nccnc2[C@@H]2CCCN(CC3CCOCC3)C2)s1 257300645 RVEFQWBZYQMELU-MRXNPFEDSA-N 373.526 3.591 0 40 FHAB CCn1cc(CN2[C@H](Cc3ccccc3)C[C@@H]3NCCCCC[C@H]32)cn1 257297064 RFQCICFQDUOXFU-BHIFYINESA-N 352.526 3.621 0 40 FHAB O=C(Nc1cc(-n2cccn2)ncn1)C1c2ccccc2Oc2ccccc21 96119961 ZNWOZVFWDQGLHC-UHFFFAOYSA-N 369.384 3.539 0 40 FHAB C[C@H]1C[C@@H](C)CN(C(=O)c2nc3c(o2)CCN(CC2CCCCC2)C3)C1 585112728 UMNZHQDPLBNDIR-IYBDPMFKSA-N 359.514 3.731 0 40 FHAB COc1ccc(CN2CCC3(CC2)OCC[C@H]3CCOCC2CC2)cc1 585105377 VOONLGJIBBMYGW-HXUWFJFHSA-N 359.510 3.883 0 40 FHAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CNC(=O)c1ccsc1 57559398 GVDIMONJADPDEY-QZTJIDSGSA-N 356.491 3.663 0 40 FHAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCc1c[nH]c2ccc(Cl)cc12 2209778 JOMMAQTZQKNQQC-QHHAFSJGSA-N 368.820 3.922 0 40 FHAB CC(=O)c1cccc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)c1 5127229 IQJAISDUCJKPMM-UHFFFAOYSA-N 355.434 3.587 0 40 FHAB CCOc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccccc3C)no2)cc1 13495341 DABKPNQUXMUCSV-AWEZNQCLSA-N 351.406 3.935 0 40 FHAB COc1ccc(-c2c(C)nn3c4c(nnc23)C(=O)C[C@@H](c2ccco2)C4)cc1 14607728 ZYBAGZGDJZDTMI-AWEZNQCLSA-N 374.400 3.614 0 40 FHAB Oc1cc(CSc2ccccn2)nc2cc(-c3ccc(F)cc3)nn12 19402255 KBMRFSJTCPKYQR-UHFFFAOYSA-N 352.394 3.928 0 40 FHAB COc1cccc(CN2CCN(C(=O)Nc3ccc(F)cc3)[C@@H](C)C2)c1 19575612 KXMVUOWKWGKROX-HNNXBMFYSA-N 357.429 3.573 0 40 FHAB CCOC(=O)c1cnn(-c2cc(Oc3cc(C)ccc3C)ncn2)c1C 19909959 NLWVFQRRKPTPTA-UHFFFAOYSA-N 352.394 3.557 0 40 FHAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C)CC2)on1 100743700 UQOHPKXPRIIPFQ-VZEFYGNVSA-N 368.481 3.794 0 40 FHAB Cc1csc(N2CC[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@H]32)n1 1889095536 VSHMGSFYPVAYNM-DGCLKSJQSA-N 354.401 3.580 0 40 FHAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2c(F)cccc2Cl)c1 1889148805 QIFHELUVXRVKBT-YIONKMFJSA-N 361.848 3.921 0 40 FHAB COc1cccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2)N2CCCC2)c1 27340894 RPQKUHTXEPAECY-HXUWFJFHSA-N 372.896 3.844 0 40 FHAB CC1CCN(C(=O)CSc2nnc(-c3ccccc3Cl)o2)CC1 917108 WARUPHGJFUTYFT-UHFFFAOYSA-N 351.859 3.741 0 40 FHAB COc1cc(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)c(C)cc1C 4580645 QGKLRVRMOCFPAK-UHFFFAOYSA-N 363.523 3.807 0 40 FHAB COC(=O)CC[C@@H]1C(=O)C(C)(C)C(=O)O[C@@H]1c1ccc(Cl)cc1Cl 4751485 UNICYROSBMSQCK-SMDDNHRTSA-N 373.232 3.756 0 40 FHAB O=C(Nc1ccccc1F)c1cccn(Cc2ccccc2Cl)c1=O 5269831 HGQNGUVULUSBEZ-UHFFFAOYSA-N 356.784 3.941 0 40 FHAB CCCCN1C(=O)c2cccc3c(NC(=O)c4cc(C)n(C)n4)ccc1c23 9122126 ZOJMCCVGMPCENN-UHFFFAOYSA-N 362.433 3.894 0 40 FHAB O=C(C1CC1)N1CCC(c2ccc3cc(-c4ccncc4)cnc3n2)CC1 1890127426 OYTJRQQLDRVKCY-UHFFFAOYSA-N 358.445 3.808 0 40 FHAB COc1ccc(-c2noc(-c3nn(-c4ccc(C)c(C)c4)ccc3=O)n2)cc1 33300395 ISSHBBXCOYJYMY-UHFFFAOYSA-N 374.400 3.575 0 40 FHAB O=C(NCC[C@H](CCO)c1cccs1)c1ccc(OC(F)(F)F)cc1 575620017 HPFLDKZGWKAXOM-GFCCVEGCSA-N 373.396 3.933 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H]3c3ccsc3)cn2)n1 40110501 MDIFWLJXCVMHGJ-QGZVFWFLSA-N 352.463 3.923 0 40 FHAB Cc1ccc([C@@H]2CC(=O)c3cnc4[nH]n(-c5ccccc5)c(=O)c4c3C2)cc1 100130362 XUHOVTHXWQWVEH-INIZCTEOSA-N 369.424 3.935 0 40 FHAB O[C@H](CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 20218826 ATDYHWPLSVYKLF-GOSISDBHSA-N 350.384 3.561 0 40 FHAB Cn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccccc1 812964 WGLZAJMYJXKRRG-UHFFFAOYSA-N 364.474 3.554 0 40 FHAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1ccc(Cn2cncn2)cc1 11211900 SDSKPKMKPVJWAE-UHFFFAOYSA-N 364.493 3.615 0 40 FHAB CCN(CC)CCSC(=O)[C@@](O)(c1ccccc1)c1cccc(C)c1 1711003 OGOKMCAPVDEHOL-OAQYLSRUSA-N 357.519 3.833 0 40 FHAB CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 2627263 TULIVOWNWFZIQU-LJQANCHMSA-N 350.462 3.799 0 40 FHAB COc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)c(OC)c1 4077268 QEFPUHGRUCOBEJ-UHFFFAOYSA-N 361.467 3.654 0 40 FHAB CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(C)cc1)cn2CC 4193300 GUJPTIQFTXYZSZ-UHFFFAOYSA-N 371.458 3.561 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(NCc2ccco2)s1 7161777 IKPGZSYRDJFKDX-AAEUAGOBSA-N 366.512 3.530 0 40 FHAB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=S)N[C@@H]1c1ccccc1 7851097 ZRVYGPLBPVRHEV-GOSISDBHSA-N 352.459 3.878 0 40 FHAB O=C(c1ccc(OC2CCCC2)cc1)N1CCN(Cc2ccccc2)CC1 32144386 BHRIVWQORBTALA-UHFFFAOYSA-N 364.489 3.966 0 40 FHAB Cc1noc(C)c1CCC(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C 8009650 ARTOKAMXIRXNFF-UHFFFAOYSA-N 366.465 3.685 0 40 FHAB CN(Cc1ccccc1N1CCOCC1)C(=O)C12CC3CC(CC(C3)C1)C2 32772551 AQRLIMYBHASQNE-UHFFFAOYSA-N 368.521 3.698 0 40 FHAB Clc1ccc([C@H](c2nnnn2C2CCCC2)N2CCSCC2)cc1 57613904 IMIWDYRMURQUCO-MRXNPFEDSA-N 363.918 3.580 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cc3ccc(OC)cc3nc2C)cc1 10407391 QTHVHJXSOOZBMR-UHFFFAOYSA-N 364.401 3.981 0 40 FHAB Cc1ccc2nc(C)cc(C(=O)OCC(=O)Nc3cccnc3Cl)c2c1 2635897 HJNHVPXDNILVJM-UHFFFAOYSA-N 369.808 3.696 0 40 FHAB CCOC(=O)c1cccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c1C 10442070 LLYCSDSKEOXYQS-CSKARUKUSA-N 353.374 3.552 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1C 10473091 WWQZDXHWUOLMKQ-INIZCTEOSA-N 354.450 3.931 0 40 FHAB C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)[C@@H]1C[C@H]2CC[C@H]1C2 109015737 NOSLJEHASHQEEW-VIQHNZTISA-N 360.523 3.541 0 40 FHAB CCc1ccc(NC(=O)NC[C@@H]2CCN(c3cccc(OC)c3)C2)cc1 102523461 SZWHIIKPCFUNOV-KRWDZBQOSA-N 353.466 3.906 0 40 FHAB COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cn1 16681236 POUOCSVOMMZOMF-IBGZPJMESA-N 374.396 3.797 0 40 FHAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2F)ccc1Cl 2726527 OBXIDWICYXRHOA-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB CCn1/c(=N/C(=O)c2c(OC)cccc2OC)sc2cccc(F)c21 100909481 GDZQPUGBSOZDLU-ZZEZOPTASA-N 360.410 3.620 0 40 FHAB CC(=O)NCCc1ccc(C(=O)OCc2cccc(C(F)(F)F)c2)cc1 21762652 ALFBEQSFSJRAAM-UHFFFAOYSA-N 365.351 3.741 0 40 FHAB CCOc1ccc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1OC 819323 KUYMBYOLFFVFLE-QGZVFWFLSA-N 374.525 3.564 0 40 FHAB COc1ccc2o/c(=N\c3cccc(Br)c3)c(C(N)=O)cc2c1 984959 PVURXORVRSGCLR-JZJYNLBNSA-N 373.206 3.535 0 40 FHAB CCOCCOCc1cccc(NC(=O)N2CCc3ccccc3C2)c1 47604117 XJBPNZGLPRTTOX-UHFFFAOYSA-N 354.450 3.830 0 40 FHAB O=C(CCNC(=O)c1ccco1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 12582755 MAVCEFWFGCRRHO-UHFFFAOYSA-N 374.400 3.582 0 40 FHAB CCc1ccccc1NC(=O)CN(C)Cc1nc2cc(Cl)ccc2n1C 43273061 OABSMJOHNLBXHU-UHFFFAOYSA-N 370.884 3.860 0 40 FHAB Brc1ccc(CSc2nc3ncc4c(n3n2)CCC4)cc1 22607154 FONKMVSOVJXCEZ-UHFFFAOYSA-N 361.268 3.668 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1ccnc(Cl)c1 25859064 VMULOKIIIVICMV-UHFFFAOYSA-N 369.204 3.501 0 40 FHAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)COc1cccc(F)c1 12625741 BAOOLCCZNHIKRA-JLSDUUJJSA-N 366.429 3.752 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N(C)Cc2ccccc2OC)c1C 58169933 QYCJFNUZBVPWHB-HNNXBMFYSA-N 372.465 3.520 0 40 FHAB Cc1ccc(-c2nonc2NC(=O)COc2c(C)cccc2C)cc1C 27664648 DQCYVZHYXIJWBK-UHFFFAOYSA-N 351.406 3.988 0 40 FHAB Cc1csc(NC(=O)[C@H]2CCC[C@H](C(=O)Nc3nc(C)cs3)C2)n1 58341791 QAHJUWYCGXXWJB-RYUDHWBXSA-N 364.496 3.600 0 40 FHAB Cc1nc2ccc(Cl)cc2cc1C(=O)OCC(=O)c1ccc(O)cc1O 10468502 AUVFONFAVAHBRS-UHFFFAOYSA-N 371.776 3.648 0 40 FHAB CC(C)COC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 2249150 APFRAJXJJKRWTA-UHFFFAOYSA-N 360.417 3.969 0 40 FHAB Cc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2O)cc1C 12742531 DECZPRCECVMCBU-UHFFFAOYSA-N 353.447 3.926 0 40 FHAB COc1ccc(NC(=O)CSc2nc3cc(Cl)ccc3n2C)cc1 48344575 KBJVEZFEDDTXMM-UHFFFAOYSA-N 361.854 3.966 0 40 FHAB CC(=O)c1ccc(C(=O)OCC(=O)Nc2cccc3ccccc23)s1 12880799 YDDRQAWEAXJCPR-UHFFFAOYSA-N 353.399 3.899 0 40 FHAB Cc1cccc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)c1C 12816710 RRDGSWACOJWQKT-UHFFFAOYSA-N 372.490 3.730 0 40 FHAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)c1c[nH]c2ccccc12 3416714 JFRJKGZWKGYTKB-UHFFFAOYSA-N 370.430 3.844 0 40 FHAB CCN(C(=O)COC(=O)c1ccccc1Br)C1CCCCC1 3530556 BTRLGGRVXVPTDD-UHFFFAOYSA-N 368.271 3.787 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2ccco2)n1C 3601320 JLTPLMZRZWZBCF-UHFFFAOYSA-N 352.419 3.840 0 40 FHAB Cc1nc(C(=O)O[C@H](C)C(=O)c2ccccc2)nn1-c1ccc(Cl)cc1 13021131 NCUXRQZATGMNHR-GFCCVEGCSA-N 369.808 3.657 0 40 FHAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(F)cc1 8310340 RHCLVIZVVURGJM-GOSISDBHSA-N 370.424 3.763 0 40 FHAB COc1cc(C(=O)OCc2ccc(C(=O)N3CCCC3)cc2)ccc1C 23225741 LITOJJONQPVLGW-UHFFFAOYSA-N 353.418 3.597 0 40 FHAB O=C(NC1CCN(Cc2c(F)cccc2Cl)CC1)c1cccs1 4395050 CJTDYDIYKMNUKI-UHFFFAOYSA-N 352.862 3.935 0 40 FHAB CCC[C@@H]1CCc2c(sc(NC(=O)COc3ccccc3)c2C(N)=O)C1 5469622 BXYMLCWUTDOTAJ-CYBMUJFWSA-N 372.490 3.770 0 40 FHAB O=c1nc2n(c3ccccc13)CC/C2=C\c1cc(Br)ccc1O 5452016 IAVSPZUUGBYUKZ-PKNBQFBNSA-N 369.218 3.809 0 40 FHAB Cc1cc(S[C@H](C)c2nc(N)nc(N(C)C)n2)nc2c(C)cccc12 14241361 NNYRVFAOXHEVLE-GFCCVEGCSA-N 354.483 3.538 0 40 FHAB C=Cc1ccc(Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)cc1 6678833 IUWIZEXQJYXTDA-UHFFFAOYSA-N 364.426 3.557 0 40 FHAB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C)cc2)n2ncnc2N1 4723437 YRUMMZLNSJTIKO-IBGZPJMESA-N 359.433 3.823 0 40 FHAB COc1cccc(OC)c1C(=O)NCCSc1ccc(Cl)cc1 408565162 IHHJFZVCJGEJJL-UHFFFAOYSA-N 351.855 3.879 0 40 FHAB O=S(=O)(NC1CCCCCCC1)c1ccc(Br)s1 6818083 IXYZYWUPFCMOMW-UHFFFAOYSA-N 352.319 3.902 0 40 FHAB CC(C)Cn1ccnc1CNC(=O)Nc1cnc(-c2ccccc2)s1 92128758 WIMMHMCCJDDEBE-UHFFFAOYSA-N 355.467 3.984 0 40 FHAB O=c1c2sccc2n(Cc2ccccc2)c(=O)n1-c1ccc(Cl)cc1 67258303 WPLYUGYUGGENJV-UHFFFAOYSA-N 368.845 3.916 0 40 FHAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1ccc(Cl)c(Cl)c1 7046633 AFSCDOYZJGOONN-UHFFFAOYSA-N 369.248 3.641 0 40 FHAB O=C(/C=C/c1ccco1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 15767351 CLSJOJREMQDDQH-BQYQJAHWSA-N 364.367 3.656 0 40 FHAB Cc1noc(C)c1S(=O)(=O)Nc1nc2c(ccc3ccccc32)s1 7505324 YYYTUOKNMAJRKY-UHFFFAOYSA-N 359.432 3.855 0 40 FHAB O=C(OCc1ccc(Br)cc1)c1ccc(N2CCCC2=O)cc1 7653652 WACJULVHYGZSQI-UHFFFAOYSA-N 374.234 3.933 0 40 FHAB O=C(CCc1ccccc1Cl)NCc1ccc(N2CCCC2=O)cc1 9388566 WOWLFYSZANETPG-UHFFFAOYSA-N 356.853 3.716 0 40 FHAB COc1ccc([C@@H](CNC(=O)c2cc3c(s2)CCC3)N2CCCC2)cc1 9448973 VGRUFVIURIIUEC-GOSISDBHSA-N 370.518 3.812 0 40 FHAB C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)N1CCCc2ccccc21 9482580 LXLSLWHKZYVCSY-GFCCVEGCSA-N 370.503 3.993 0 40 FHAB CNC(=O)c1ccc(CN(C)C(=O)c2cc(C3CC3)nc3ccccc23)cc1 9515056 DERUHRRJWLGBHE-UHFFFAOYSA-N 373.456 3.744 0 40 FHAB C[C@H]1C[C@@H](C(=O)Nc2cccc(NC(=O)c3cccs3)c2)CCC1=O 89920226 AJXRRUDVVZFUQN-STQMWFEESA-N 356.447 3.944 0 40 FHAB CC1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)CC1 408706943 FMNKQFJRDKQPDJ-CGZBRXJRSA-N 358.482 3.522 0 40 FHAB COC(=O)Nc1ccccc1OCC(=O)Nc1cc(Cl)ccc1OC 72311137 IHLXBVIYJOXLLD-UHFFFAOYSA-N 364.785 3.544 0 40 FHAB O=C1N/C(=C/c2c[nH]c3ccccc23)C(=O)N1Cc1ccc(Cl)cc1 20533790 PIBFVYKZIKNLTL-RQZCQDPDSA-N 351.793 3.914 0 40 FHAB O=C(Oc1ccccc1)c1ncc(Br)cc1Br 95939837 KDZYZLPBYDNUSA-UHFFFAOYSA-N 357.001 3.826 0 40 FHAB Cc1ccc(C(=O)/N=c2\[nH]c3ccccc3n2CCN2CCCCC2)s1 28305494 WYXPXGZDWVUWEP-UHFFFAOYSA-N 368.506 3.566 0 40 FHAB Brc1ncccc1OCCCc1nc(-c2cccs2)no1 79075748 VWATWTKDIKGOJS-UHFFFAOYSA-N 366.240 3.967 0 40 FHAB CC[C@H](NC(=O)N1CCC[C@@H]1c1cccn1C)c1ccc2c(c1)OCCO2 79746986 GVKNPDLISYNXHO-FUHWJXTLSA-N 369.465 3.794 0 40 FHAB O=C(COC(=O)c1cnc(Cl)c(Cl)c1)Nc1ccc2c(c1)CCC2 6643065 TZEFHUNZHBFKGP-UHFFFAOYSA-N 365.216 3.673 0 40 FHAB COc1ccc([C@H]2CCCN2CC(=O)N(C)Cc2ccsc2)cc1OC 36395360 YDNMLTAFCNQSTM-QGZVFWFLSA-N 374.506 3.561 0 40 FHAB O=C(CN1CCC(Cn2cnc3ccccc32)CC1)Nc1cccc(F)c1 36708871 OGJKSXKEVWJSIZ-UHFFFAOYSA-N 366.440 3.526 0 40 FHAB CCN1C(=O)/C(=C/c2ccc(OCc3cccc(C)c3)cc2)N(C)C1=S 409030242 DVYLEADYVWZCEU-UYRXBGFRSA-N 366.486 3.994 0 40 FHAB CCc1ccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccccc2)cc1 32169841 YKRQVCHQKPSNHG-GOSISDBHSA-N 362.351 3.859 0 40 FHAB CCOc1ccc(CNC(=O)COc2cc(C)ccc2C)cc1OCC 218949629 KMQKDQVNNBLHLZ-UHFFFAOYSA-N 357.450 3.796 0 40 FHAB Cc1c(C(=O)O)c2cc(OCC(=O)O)ccc2n1-c1cccc(Cl)c1 38422965 BMJFEEJWMOZDLY-UHFFFAOYSA-N 359.765 3.754 0 40 FHAB COc1ccccc1[C@@H](OC(=O)c1ccco1)C(=O)NCc1ccccc1 35289857 BEJUSOHIZVVZSP-LJQANCHMSA-N 365.385 3.503 0 40 FHAB COc1cc2ccccc2cc1C(=O)NCc1nc(-c2cccs2)no1 219396009 XQBZAGIONYFZNB-UHFFFAOYSA-N 365.414 3.890 0 40 FHAB CCc1ccccc1NC(=O)[C@H]1CCCN(C(=O)NCc2ccccc2)C1 35314805 JDAFVRQZCAPRDM-IBGZPJMESA-N 365.477 3.809 0 40 FHAB Cc1noc(C)c1CC(=O)NCCc1ccc(OCc2ccccc2)cc1 48942399 HLXSULRKATYDHI-UHFFFAOYSA-N 364.445 3.772 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H](Oc2cccc(Br)n2)C1 40434951 JAZFYXREPICDBL-NSHDSACASA-N 357.248 3.622 0 40 FHAB CCc1ccc(CC(=O)N(CC)Cc2nc(-c3cccs3)no2)cc1 224906532 SWAABXDFWKJUQJ-UHFFFAOYSA-N 355.463 3.952 0 40 FHAB Cc1ccc(-c2noc(CNC(=S)Nc3ccc(F)cc3F)n2)cc1 225817269 GHWRDTUXBHPRSK-UHFFFAOYSA-N 360.389 3.810 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 42646662 MPBPKVLIJDTZAV-SKDRFNHKSA-N 362.779 3.992 0 40 FHAB COc1ccc(-c2cnn(CCCC(=O)NCc3cccs3)c2)cc1 227166247 ACXSUYHAJYKWCY-UHFFFAOYSA-N 355.463 3.717 0 40 FHAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(Br)cc1F 96171086 ARESIUMQDFZRJV-UHFFFAOYSA-N 374.231 3.706 0 40 FHAB CNc1cc(C)nc([C@@H]2CCN(C(=O)c3cc4ccc(F)cc4[nH]3)C2)c1 257320708 VYEFIRNNGRIYSB-CQSZACIVSA-N 352.413 3.682 0 40 FHAB Cc1ncc(-c2nccnc2C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)s1 257211340 BYNHBANPKIXRCB-AWEZNQCLSA-N 358.511 3.736 0 40 FHAB Cc1cccc(N2CCC(N(CCc3ccccc3C)CC(=O)O)CC2)c1 257277851 NZTQTHXHQJVERA-UHFFFAOYSA-N 366.505 3.902 0 40 FHAB Cc1cccc(Nc2nccnc2[C@H]2CCCN(Cc3cncs3)C2)n1 257252441 JUTYSRSENCJAKD-HNNXBMFYSA-N 366.494 3.760 0 40 FHAB C[C@@H]1NCCO[C@H]1c1ccc(-c2cc(F)ccc2OC[C@@H]2CCOC2)cc1 629702008 ZKVPCCRYCZUHHC-WJONJSRFSA-N 371.452 3.957 0 40 FHAB CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2cc3c(s2)CCNC3)no1 662540495 JGGFYYWFGHUFDS-AWEZNQCLSA-N 374.510 3.658 0 40 FHAB COc1ccc(C(=O)Nc2ccccc2Cc2nc(C3CC3)no2)cc1F 96356520 PFTQHTYNXWCADU-UHFFFAOYSA-N 367.380 3.938 0 40 FHAB COC(=O)c1cccc2c1CCCN2C(=O)Cc1csc(C(C)C)n1 42878958 KPHMEOZXYUOWIW-UHFFFAOYSA-N 358.463 3.575 0 40 FHAB O=C(CC1CCCC1)N1CCC(COc2cc3c(nn2)CCCC3)CC1 1565521998 HCKYBTURDJZARU-UHFFFAOYSA-N 357.498 3.553 0 40 FHAB CC1(C)C[C@]2(CCCN2C(=O)Cc2cccnc2)CN1c1cccc(F)c1 1615157421 NPBRGYKVSPDZTI-JOCHJYFZSA-N 367.468 3.813 0 40 FHAB CC(=O)c1cccc(NC(=O)CCc2c(C)c3ccc(O)cc3oc2=O)c1 13575748 FHGPFCAWWFSEJU-UHFFFAOYSA-N 365.385 3.581 0 40 FHAB COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc2c(c1)NC(=O)CS2 15031083 JMEZJBNUVZNROU-LBPRGKRZSA-N 356.447 3.539 0 40 FHAB CCCN1CCN(c2ncnc3scc(-c4ccc(OC)cc4)c23)CC1 15169246 VBFGHXWMKNIYSC-UHFFFAOYSA-N 368.506 3.899 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1C 16301342 WQJWZJFVZAGXNL-UHFFFAOYSA-N 368.355 3.757 0 40 FHAB CNc1cc(C[C@@H](NC(=O)C2CC2)c2cccc(C)c2)nc(C2CC2)n1 19234472 YBZQKQKNBAZISE-GOSISDBHSA-N 350.466 3.514 0 40 FHAB CCc1ccc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)cc1 1204177214 ZTNPOQOVHFOWJT-UHFFFAOYSA-N 364.489 3.647 0 40 FHAB Cc1ccccc1CSc1nc(=O)n(Cc2cccnc2)c2c1CCC2 4330225 PRGRESUWSKPUBB-UHFFFAOYSA-N 363.486 3.776 0 40 FHAB CCOC(=O)c1c(NC(=O)COc2ccc(F)cc2)sc(C)c1C 4558408 KRDFQPPUIVDFGW-UHFFFAOYSA-N 351.399 3.698 0 40 FHAB Cc1cccc(Cn2cccc(C(=O)Nc3ccc(C)c(F)c3)c2=O)c1 5269727 ZKPAXXULGWIDRS-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccccc2)cc1 12656419 LERGEFLTWMIBSK-ZHZULCJRSA-N 360.413 3.675 0 40 FHAB CCN1C(=O)Cc2cc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc21 17288939 JCLJLXDMVPAUBT-UHFFFAOYSA-N 372.490 3.630 0 40 FHAB Cc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCCCC3)c(O)n2n1 22626041 VBQBWESYIWTROQ-AWEZNQCLSA-N 364.421 3.658 0 40 FHAB Cc1ccc(N2CN(Cc3ccccc3)S(=O)(=O)c3cccnc32)cc1 49411459 HPFCFEZHEPOURK-UHFFFAOYSA-N 365.458 3.690 0 40 FHAB COc1ccc2cc(C(=O)N3CC[C@@H](n4cnc5ccccc54)C3)[nH]c2c1 575615676 FIUWWDOUHZUAFH-OAHLLOKOSA-N 360.417 3.613 0 40 FHAB C/C(=C/c1ccccc1)C(=O)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 575617032 MQKCZNPJLBMQHQ-FCUDFIOSSA-N 373.456 3.664 0 40 FHAB Cc1ccc(-c2nnc(CCC(=O)N(C)CCOc3ccccc3)o2)cc1 40012853 RQMKHJSVMUFZCA-UHFFFAOYSA-N 365.433 3.515 0 40 FHAB Cc1noc(C)c1COc1ccccc1C(=O)NC[C@H]1Cc2ccccc21 40148962 CRNCXKNACRNDMI-QGZVFWFLSA-N 362.429 3.940 0 40 FHAB CC(C)c1ccc(CCC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1 40143753 KUIXTLDWJMKWLC-UHFFFAOYSA-N 363.461 3.638 0 40 FHAB CSc1ccc(C)c(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)c1 40122159 NBBUPCHMUDGTIE-LJQANCHMSA-N 368.502 3.810 0 40 FHAB CCOC(=O)C1(NC(=O)c2cc(Br)ccc2F)CCCCC1 40134639 SDYQOACEFIQUMD-UHFFFAOYSA-N 372.234 3.584 0 40 FHAB COC(=O)c1cc(NC(=O)c2ccccc2Br)c(F)cc1F 31026796 JQLAGZBTYXHRDH-UHFFFAOYSA-N 370.149 3.766 0 40 FHAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cnn(-c2ccccc2)c1 10965483 KRWRYASYNLQHQD-QGZVFWFLSA-N 353.422 3.978 0 40 FHAB Cc1cccn2c(=O)c3cc(C(=O)Nc4ccc(C(C)C)cc4)n(C)c3nc12 2917370 RIFQPZPBDSLNOY-UHFFFAOYSA-N 374.444 3.870 0 40 FHAB Nc1c(C(=O)NCCc2ccccc2)sc(=S)n1Cc1ccccc1 3632829 WYOSIFHAKAOMNH-UHFFFAOYSA-N 369.515 3.882 0 40 FHAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)c1ccc2c(c1)CCC2 4932603 GTOYLNZXQRATRB-UHFFFAOYSA-N 372.350 3.731 0 40 FHAB C[C@@H]1CCC[C@@H](NC(=O)[C@]2(C)CC2(Br)Br)[C@@H]1C 6522983 ONPFGMBLRBYCSL-BFLSOPEQSA-N 367.125 3.823 0 40 FHAB CCCN(CCC)C(=O)CSc1nnc(C)n1-c1ccc(C)c(C)c1 6629475 FETNNSSQPIQOOQ-UHFFFAOYSA-N 360.527 3.933 0 40 FHAB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc(F)c2)SC1=S 6635810 RNEXDLAIOIXXPD-OQZOHAQUSA-N 353.440 3.670 0 40 FHAB CCCCCn1nc(C(=O)Nc2cccc(F)c2)c2ccccc2c1=O 6648597 IYFNRHAUJGQJIV-UHFFFAOYSA-N 353.397 3.978 0 40 FHAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(Cl)c(Cl)c1 7158591 FWRBXIYRSFHNHJ-OAHLLOKOSA-N 367.232 3.899 0 40 FHAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2cccs2)cc1 7533546 UVFBIGAVUGGOAW-UHFFFAOYSA-N 361.419 3.501 0 40 FHAB COc1ccccc1-n1c(C)c(C)c2c(=N)n(Cc3ccccc3)cnc21 101412877 PNRPXOUJXUHKHL-UHFFFAOYSA-N 358.445 3.980 0 40 FHAB COc1ccccc1C(=O)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O 10039376 MWYKSYJBTDMQNB-UHFFFAOYSA-N 372.380 3.748 0 40 FHAB Cc1nc2c3ccccc3nc(SCCOc3cccc(F)c3)n2n1 32330843 MINDIFVOYFVQOE-UHFFFAOYSA-N 354.410 3.896 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1OC 9478946 IKFAAGGNRCKZDL-UHFFFAOYSA-N 362.234 3.811 0 40 FHAB CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(O)n2)cc1 9669213 UFXMPYRCLXQAFE-UHFFFAOYSA-N 366.446 3.537 0 40 FHAB O=S1(=O)CC[C@@H](NCc2ccc(-c3cc(Cl)ccc3Cl)o2)C1 11914598 OORHSRIKLFKUHP-LLVKDONJSA-N 360.262 3.530 0 40 FHAB CCc1ccc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 52537537 FMRWXBVQEWLBSH-UHFFFAOYSA-N 357.885 3.663 0 40 FHAB Oc1ccc(-c2csc(N3CCN(c4ccc(F)cc4)CC3)n2)c(O)c1 103164028 ARNCCTDONYSDJT-UHFFFAOYSA-N 371.437 3.687 0 40 FHAB Brc1ccc(-c2nn3c(-c4ccncc4)nnc3s2)cc1 684898 LJDZOBIDBUNEKD-UHFFFAOYSA-N 358.224 3.677 0 40 FHAB COc1ccc(-c2nn3c(Cc4ccc(F)cc4)nnc3s2)cc1OC 632806 KOYRZNPDWNRMGS-UHFFFAOYSA-N 370.409 3.600 0 40 FHAB Cn1cc(CNC(=O)COc2ccc(Cl)cc2C2CCCCC2)cn1 53410851 DIBBULUXFBOIQO-UHFFFAOYSA-N 361.873 3.816 0 40 FHAB O=c1c2c(-c3ccc4c(c3)OCO4)ccnc2[nH]n1-c1ccc(Cl)cc1 101478837 JKCMEJMSCBHEOQ-UHFFFAOYSA-N 365.776 3.763 0 40 FHAB COC(=O)C[C@H](NC(=O)CSCc1cccc(C)c1)c1ccccc1 89669555 BGMIPCATIJGNMW-SFHVURJKSA-N 357.475 3.649 0 40 FHAB COc1cc(COC(=O)c2cccc(NC(C)=O)c2)ccc1OC(F)F 22973368 GTXBFRLHEJTLIG-UHFFFAOYSA-N 365.332 3.612 0 40 FHAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)c1ccccc1 3007772 MSKRBBHGFCQTRQ-JSGCOSHPSA-N 360.816 3.709 0 40 FHAB O=C(NCc1cccnc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 17168929 AVCXNWQYOWGHBV-UHFFFAOYSA-N 357.753 3.833 0 40 FHAB O=C(NCC1(c2cccc(Br)c2)CCOCC1)c1ccco1 54319174 WXJQGUBOTRYHAX-UHFFFAOYSA-N 364.239 3.520 0 40 FHAB COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)cc1 20486953 XZWIOJSYQVCQSE-AWEZNQCLSA-N 372.490 3.953 0 40 FHAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nc2cc(Cl)ccc2n1C 106528143 ZRZKWKVYJSKZPY-NUTKFTJISA-N 361.873 3.533 0 40 FHAB CCOC(=O)c1cnc(SC)nc1Nc1cc(-c2ccccc2)no1 1414958 JXCNWJMDIXDVMZ-UHFFFAOYSA-N 356.407 3.774 0 40 FHAB CCN(CC(=O)Nc1c(F)cccc1F)c1ccc(C(F)(F)F)cn1 25665232 KSXLNQMNUIGYKM-UHFFFAOYSA-N 359.298 3.844 0 40 FHAB Cc1cccc(N2C(=O)C(Cl)=C(N[C@H](C)c3ccccc3)C2=O)c1C 12635695 MYJFANKWZWVVMG-CQSZACIVSA-N 354.837 3.978 0 40 FHAB C[C@@H](NCC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccc(Cl)cc1 57336091 ULSQLSFNWHWFCZ-CYBMUJFWSA-N 371.868 3.522 0 40 FHAB CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccccc1C 3365719 VLWFKOVYIINSCR-LBPRGKRZSA-N 374.462 3.816 0 40 FHAB O=C(COC(=O)CCc1nc2ccccc2s1)Nc1ccccc1F 3317498 NYRHFYNQPXKZJJ-UHFFFAOYSA-N 358.394 3.550 0 40 FHAB O=C1C[C@H](c2nc(-c3cccc(Cl)c3)no2)CN1CCc1ccccc1 44440797 RTRMAMVPZODEKP-INIZCTEOSA-N 367.836 3.949 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)c1C 44537651 HSHCDNSLGJOKKB-UHFFFAOYSA-N 367.449 3.631 0 40 FHAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)CN1C[C@H](C)C[C@@H](C)C1 12765159 LDKPHILEGVYYTH-ZIAGYGMSSA-N 366.527 3.965 0 40 FHAB CC(C)c1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1 27580580 BEPOBVIWYJAECE-ZDUSSCGKSA-N 354.406 3.547 0 40 FHAB CC1CCN([C@H](CNC(=O)c2cnn(C)c2C2CC2)c2cccs2)CC1 58293210 YSSUKQODWMCUEW-QGZVFWFLSA-N 372.538 3.562 0 40 FHAB CC(C)c1cccc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c1 12780942 XQXRDMKBKIBOEY-UHFFFAOYSA-N 350.418 3.711 0 40 FHAB CCCc1nc(CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cs1 36396182 JTFPUHAVWNCSRI-CYBMUJFWSA-N 352.525 3.692 0 40 FHAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2c(C)cccc2C)CC1=O 15992429 LMFFEMJSINDDNK-INIZCTEOSA-N 352.434 3.694 0 40 FHAB Cc1nnc(SCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)n1C1CC1 7618030 NHWZDBUGNIQFCI-ZDUSSCGKSA-N 370.522 3.770 0 40 FHAB Cc1cccc(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 12992609 WUPFHACUVGRYCS-IBGZPJMESA-N 366.461 3.932 0 40 FHAB CSc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccc2c(c1)OCO2 7664703 FNQZRSFFGMISFI-ZDUSSCGKSA-N 358.463 3.596 0 40 FHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 7667059 QQKCLWMJXKHLKA-UHFFFAOYSA-N 357.353 3.751 0 40 FHAB O=C(OCc1nnc(C2CC2)o1)c1cccnc1Nc1cccc(F)c1 63977373 UCVUSYFFSRGVJD-UHFFFAOYSA-N 354.341 3.582 0 40 FHAB CCOc1ccc(-c2cc(C(=O)Nc3ccccn3)no2)cc1OCC 13722797 GYOSOBITIZMYNU-UHFFFAOYSA-N 353.378 3.786 0 40 FHAB CN(CCc1ccccn1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 16625815 MTZJXDAUBYQBKU-UHFFFAOYSA-N 371.790 3.867 0 40 FHAB COCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(C)cc1 8550548 UTGGKDBPSZKTLJ-IBGZPJMESA-N 363.413 3.601 0 40 FHAB COc1cccc(NC(=O)Cc2c(C)c3ccc(OC)c(C)c3oc2=O)c1 5347263 RTJHQTMFWGYVAU-UHFFFAOYSA-N 367.401 3.608 0 40 FHAB O=C(c1ccccc1)C1CCN(Cn2c(=O)oc3cc(Cl)ccc32)CC1 14134792 CSMXZECOSHHALT-UHFFFAOYSA-N 370.836 3.800 0 40 FHAB COc1ccccc1-n1nnc(C(=O)Nc2ccccc2SC)c1C 4511657 LMUJATATPKEWPV-UHFFFAOYSA-N 354.435 3.559 0 40 FHAB CCN(Cc1ccccc1)S(=O)(=O)c1c(C)cc(Cl)nc1Cl 4593969 JOSSTCQPENKFBW-UHFFFAOYSA-N 359.278 3.908 0 40 FHAB COc1cc(CC(=O)N[C@@H]2CCSc3ccccc32)cc(OC)c1OC 5425636 WTQCNPFMJWQWBX-OAHLLOKOSA-N 373.474 3.608 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nonc1-c1ccc(OC)cc1 5450808 KWFRPMAECRVKCW-MRXNPFEDSA-N 371.368 3.680 0 40 FHAB CCOc1ccccc1NC(=O)[C@H](C)Cn1nc(C(F)(F)F)cc1C 28238965 WEAYDPABYHEWDZ-LLVKDONJSA-N 355.360 3.884 0 40 FHAB C[C@@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 14279996 WGYBCLNDPXMFAZ-SNHMRICDSA-N 369.509 3.507 0 40 FHAB COc1cccc(-c2nnc3sc(COc4ccc(C)cc4)nn23)c1 5557192 NQQSRRDPORZRKO-UHFFFAOYSA-N 352.419 3.749 0 40 FHAB Cc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)Nc3cc(C)no3)cs2)cc1 14572875 VUCNNJFRYYBMDK-LBPRGKRZSA-N 371.418 3.599 0 40 FHAB Cc1cccc(-c2ccc(C(=O)N3CCc4sccc4C3)c(=O)[nH]2)c1 70036751 XLJSDJPKKIYZSC-UHFFFAOYSA-N 350.443 3.610 0 40 FHAB CC[C@H](CO)Nc1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 6949209 DIJUNIGHZAKALJ-CYBMUJFWSA-N 354.479 3.815 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)CSC1=Nc2ccccc2[C@H]2CC=NN12 5959047 XXBSQJVWOVZCRW-UKPHBRMFSA-N 356.495 3.848 0 40 FHAB CCc1cc2c(SCc3cc(=O)n4c(C)csc4n3)ncnc2s1 8395779 PYJBKJMQIANDJE-UHFFFAOYSA-N 374.516 3.924 0 40 FHAB C[C@H](NC(=O)c1n[nH]c2ccccc12)c1nc2ccccc2n1C(F)F 8709101 JUKBZHPWQKUCDO-JTQLQIEISA-N 355.348 3.799 0 40 FHAB C[C@H](Sc1nnc(-c2cccs2)n1C)C(=O)N1CCc2ccccc21 8726123 JSLGWIHWHAGOHS-LBPRGKRZSA-N 370.503 3.614 0 40 FHAB C[C@H](Sc1nnc2sc3ccccc3n12)C(=O)NCc1cccs1 8718828 RXJBYLQKNJILLG-JTQLQIEISA-N 374.516 3.803 0 40 FHAB CC(C)[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1cccs1 8919015 PAUWAEVRBBBWLN-HXUWFJFHSA-N 356.491 3.931 0 40 FHAB CN(Cc1nc2c(s1)CCCC2)C(=O)C[C@H]1OCCc2ccccc21 83012894 RMUFJHZKPHBZDK-QGZVFWFLSA-N 356.491 3.684 0 40 FHAB O=c1cc(CSC2=N[C@@H]3CCCC[C@@H]3N2)c2cc3c(cc2o1)CCC3 9482045 MOJJVLQAVULOLV-CALCHBBNSA-N 354.475 3.785 0 40 FHAB O=C(CSc1ccc(F)cc1)Nc1cc2c(cc1Cl)OCCO2 9478842 URLZOGBHSCOYLJ-UHFFFAOYSA-N 353.802 3.981 0 40 FHAB O=C(NC(=S)NCc1ccco1)c1ccc(OCc2ccccc2)cc1 408627158 KVGAKHJMVSQVIF-UHFFFAOYSA-N 366.442 3.663 0 40 FHAB Cc1nn(C)c2c1[C@H](c1ccccc1OCc1ccccc1F)CC(=O)N2 96335697 PVHPXFICQIPNFE-INIZCTEOSA-N 365.408 3.921 0 40 FHAB Cc1ccc(Cc2cnc(NC(=O)N3CCSCC3)s2)cc1F 78459382 CBTDIHQBQUDGTG-UHFFFAOYSA-N 351.472 3.762 0 40 FHAB Cc1noc(C2CCN(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)CC2)n1 84286631 CFKJKXUGPSCPPK-CQSZACIVSA-N 368.481 3.907 0 40 FHAB COCCCNC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc(OC)cc1)(C3)C2 24582112 XVFFNXVYGJWFKI-RGMRCXJASA-N 357.494 3.686 0 40 FHAB COc1cc(NC2=NC(=O)S/C2=C\c2ccncc2)cc(OC)c1OC 72401829 CURBTYUZZXFKCR-NVNXTCNLSA-N 371.418 3.826 0 40 FHAB Cc1cc(C)nc(S[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)n1 95481996 OYWSPVQZTXCAOK-MRXNPFEDSA-N 354.435 3.862 0 40 FHAB Cn1cc(CCCC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c2ccccc21 79193445 WRUDAQKEONPNRI-GHTZIAJQSA-N 367.537 3.882 0 40 FHAB biogenic O=C(CSc1nc(-c2ccco2)n[nH]1)Nc1ccc(C(F)(F)F)cc1 32873552 QNSHSHZTJAPIGF-UHFFFAOYSA-N 368.340 3.814 0 40 FHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(Cc2ccccc2)CC1 30864965 ARYULNKPUHNFIY-FQEVSTJZSA-N 372.896 3.842 0 40 FHAB Cc1ccc(-c2noc(CSCC(=O)N[C@H]3CCCC[C@H]3C)n2)cc1 36395282 SCISGHFYQVASII-ZBFHGGJFSA-N 359.495 3.973 0 40 FHAB CCc1cc(N[C@@H](C)[C@@H](O)c2ccc(F)cc2)nc(-c2ccncc2)n1 78620188 QZKIQZKVXDHINO-ORAYPTAESA-N 352.413 3.774 0 40 FHAB COc1ccc(-c2nsc(NC(=O)c3cccc4c3ccn4C)n2)cc1 78623701 UQUGBVALAWCWRX-UHFFFAOYSA-N 364.430 3.958 0 40 FHAB Cc1cccc(C(=O)NC2CCN(C(=O)Nc3cccc(F)c3)CC2)c1 35311967 ZVTLGOIWIGZXBN-UHFFFAOYSA-N 355.413 3.560 0 40 FHAB COc1cccc(NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1 35311526 LOEIYOJSSVUUML-UHFFFAOYSA-N 356.397 3.961 0 40 FHAB COc1ccccc1N(CCO)Cc1nc(-c2ccc(C(C)C)cc2)no1 564156677 HRRDJSTZWOYWQY-UHFFFAOYSA-N 367.449 3.868 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1 38834498 CZWDTDLTAOXPPU-UHFFFAOYSA-N 363.417 3.669 0 40 FHAB O=C(COCc1cccnc1)N1CCC[C@@H]1c1nc2ccccc2s1 562237533 KRHXDKAUGXSNND-MRXNPFEDSA-N 353.447 3.572 0 40 FHAB Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(Cc3ccccn3)C2)n1 72345970 JPHDDEAOKQYZHE-INIZCTEOSA-N 363.440 3.640 0 40 FHAB CC(=O)c1ccc(NC(=S)NC2CCN(Cc3cccs3)CC2)cc1 225230865 QGGCQGJUZYSONV-UHFFFAOYSA-N 373.547 3.902 0 40 FHAB COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(OC)c(F)c1)CC(C)(C)O2 225394339 PICSHNMNBJMWEG-INIZCTEOSA-N 359.397 3.875 0 40 FHAB Cc1cc(NC(=O)c2ccc(Cn3ccnc3)cc2)ccc1N1CCCC1=O 44855071 RJTGFMOZMYAPGQ-UHFFFAOYSA-N 374.444 3.619 0 40 FHAB CCN(c1cccc(C)c1)S(=O)(=O)c1cc(C(=O)O)ccc1Cl 226861016 RXDGQNBCHIGTNZ-UHFFFAOYSA-N 353.827 3.562 0 40 FHAB C[C@@H]1C[C@@H](C)CN(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 224990406 AYCYBCUALMGSGP-HUUCEWRRSA-N 352.906 3.592 0 40 FHAB COc1ccc(S(=O)(=O)N(C)c2ccc(F)cc2)c(Cl)c1Cl 224621288 NUWZHNXFZVFYTJ-UHFFFAOYSA-N 364.225 3.966 0 40 FHAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H](C)COc2ccc(OC)cc2)cc1 222892725 FUGMSRODRWRERR-IERDGZPVSA-N 371.477 3.999 0 40 FHAB Cc1c(-c2nc3ccccc3s2)cccc1N1C[C@H](C(=O)O)CC1=O 45886823 TXQQZQSOCXVNGR-GFCCVEGCSA-N 352.415 3.709 0 40 FHAB Cc1cccc(C)c1C(=O)c1ccccc1CN1CCC2(CC1)OCCO2 85651573 JXNXKMLRVQPNTO-UHFFFAOYSA-N 365.473 3.873 0 40 FHAB S=C(NCCCc1ccccc1)Nc1ccc(Br)cn1 223960391 VNSMLOWDWSYGGF-UHFFFAOYSA-N 350.285 3.763 0 40 FHAB COc1cccc(OCC(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)c1 222794191 AUDPRVTUINLXKD-SFHVURJKSA-N 371.433 3.501 0 40 FHAB CCCCC[C@](C)(O)/C=C\[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 195785518 CTXLUMAOXBULOZ-SXRUDZMDSA-N 366.498 3.641 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C)c1C 225052827 AKOZHURRMWTYML-CYBMUJFWSA-N 356.447 3.623 0 40 FHAB Cc1cccc(NC(=O)CCCN2C(=O)CC(C)(C)c3ccccc32)n1 96184037 WZRGQSCPGSAFCW-UHFFFAOYSA-N 351.450 3.823 0 40 FHAB Cn1ccc2cc([C@H](O)CNC(=O)c3cc4ccccc4s3)ccc21 252498343 QZEKBWUQKRSRJN-QGZVFWFLSA-N 350.443 3.856 0 40 FHAB CC(C)Cc1ccccc1CNC(=O)Nc1cc([C@H]2CCCOC2)nn1C 529087659 CWOBKEJNXCWWFS-SFHVURJKSA-N 370.497 3.834 0 40 FHAB Fc1ccc(-c2cnc3nccc([C@@H]4CCN(c5ccccn5)C4)n23)cc1 257313334 URXRMLBNMOFDIS-MRXNPFEDSA-N 359.408 3.924 0 40 FHAB CC(=O)N[C@@H]1CC[C@@H]2CN(c3cc(C(C)(C)C)nc(C(C)(C)C)n3)C[C@H]2C1 585137581 HVJROSFNOIPHKN-BRWVUGGUSA-N 372.557 3.813 0 40 FHAB C=CC(=O)Nc1ccc(O)c(C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)c1 1142495577 PRUUZFVROUXNSZ-UHFFFAOYSA-N 363.417 3.545 0 40 FHAB C[C@@H](NC(=O)NC[C@H]1CCOC1(C)C)c1ccc(OC(F)(F)F)cc1 660320397 DMEXYBDQWSSBDU-DGCLKSJQSA-N 360.376 3.761 0 40 FHAB C[C@H]1CCCCN1C(=O)c1ccc(NCc2ccn(C)c(=O)c2)cc1Cl 674650401 XUIAWGWJDCGCMT-AWEZNQCLSA-N 373.884 3.665 0 40 FHAB OC[C@@H]1CCCN(Cc2cc(C(F)(F)F)c(Br)cc2F)C1 1238517539 YRCRJVZAQVKDQF-SECBINFHSA-N 370.184 3.811 0 40 FHAB CSc1ccccc1S(=O)(=O)NC[C@H](O)c1cccc2ccccc12 1309671738 WBHCFOMJEQLWNW-KRWDZBQOSA-N 373.499 3.574 0 40 FHAB CC(C)c1nc(NC(=O)CSc2ccc3c4c(cccc24)CC3)n[nH]1 1325468938 UBWFRPGKVWQROY-UHFFFAOYSA-N 352.463 3.911 0 40 FHAB COc1ccc(S(=O)(=O)NCc2ccc(-c3ccoc3)cc2)cc1F 390831487 SDBSIBFPVXVXEX-UHFFFAOYSA-N 361.394 3.573 0 40 FHAB O=C(/C=C/c1ccccc1Cl)Nc1ccccc1-c1ccc(=O)[nH]n1 96097790 JNZKDTLMGCGUHO-PKNBQFBNSA-N 351.793 3.742 0 40 FHAB O=C(NCc1cc(-c2ccccc2)no1)N1CCC[C@H](C(F)(F)F)C1 47084023 BIXGNZQAQHLPJW-ZDUSSCGKSA-N 353.344 3.826 0 40 FHAB CCC[C@H](NC(=O)c1[nH]nc2c1CCCCC2)c1ccc2c(c1)OCCO2 12116935 STLCXPQTUPSERQ-INIZCTEOSA-N 369.465 3.721 0 40 FHAB CCOc1ccccc1-c1cc(C(=O)N2CCn3cccc3[C@H]2CC)[nH]n1 12147498 KAMILXVPYQEBJU-GOSISDBHSA-N 364.449 3.884 0 40 FHAB O=C(COc1ccccc1)Nc1ccc(NC(=O)Cc2ccccc2)cc1 14258439 XKOZXYXZHVLLBS-UHFFFAOYSA-N 360.413 3.885 0 40 FHAB CCC(C)(C)C1CCC(NC(=O)c2cccc(CS(C)(=O)=O)c2)CC1 15139421 JEZJLAMRNQJNJB-UHFFFAOYSA-N 365.539 3.956 0 40 FHAB CCCCCCC1O[C@H](C(=O)OCCCC)[C@H](C(=O)OCCCC)O1 18207294 YKLWNOFSYWLFML-ALOPSCKCSA-N 358.475 3.754 0 40 FHAB Fc1ccccc1CN1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 19348999 WKVXUUXKSDMWMC-ZDUSSCGKSA-N 361.371 3.581 0 40 FHAB CC1CCN(c2ccc(C(=O)N3CCC(CCN(C)C)CC3)cc2)CC1 19664213 UNZJPCWGEYOQOX-UHFFFAOYSA-N 357.542 3.727 0 40 FHAB CCOC(=O)C1=C(C)NC(C)=C2C(=O)Oc3c(Cl)cc(Cl)cc3[C@H]12 19690597 QMZCFKKIDZFRJY-CQSZACIVSA-N 368.216 3.710 0 40 FHAB CC(C)Sc1ccc(CC(=O)N2CCC[C@H](Oc3ccncn3)C2)cc1 575610895 ZPZNUOUKOLJAAU-KRWDZBQOSA-N 371.506 3.590 0 40 FHAB CC(=O)c1cccc(NC(=O)COC(=O)c2cc(F)c(F)cc2Cl)c1 5495764 LJHWGAWLCVKMSC-UHFFFAOYSA-N 367.735 3.616 0 40 FHAB Cc1c(O)ccc2c(CN(C)CCOc3ccccc3Cl)cc(=O)oc12 15103517 COFFNIIFHARWBK-UHFFFAOYSA-N 373.836 3.971 0 40 FHAB CCn1c([C@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)nc2ccccc21 4033550 GXUOCBPMCXHYHA-AWEZNQCLSA-N 365.433 3.594 0 40 FHAB O=C(CSc1ccccc1)N1CCN(c2nc3ccccc3s2)CC1 4496657 XFXWQPTVYPGPFG-UHFFFAOYSA-N 369.515 3.737 0 40 FHAB COc1ccc(CNc2nc(=S)[nH]c3cc(OC)c(OC)cc23)cc1 4918898 XPHHTOVJWNQCCL-UHFFFAOYSA-N 357.435 3.930 0 40 FHAB O=C(NCCc1ccccc1)N1CCn2cccc2[C@H]1c1cccs1 5256525 LGCOZITUAKCMIP-IBGZPJMESA-N 351.475 3.907 0 40 FHAB COc1ccc(CCC(=O)NCc2cc(-c3ccc(F)cc3)on2)cc1 11613476 ZJFGQOXIJQQZNK-UHFFFAOYSA-N 354.381 3.738 0 40 FHAB O=C(NCC1(c2cccs2)CCCC1)[C@H]1CC(=O)N(c2ccccc2)C1 13803225 SCLKXCPKZAHYME-INIZCTEOSA-N 368.502 3.729 0 40 FHAB Cc1nc2nc(N3CCCC3)nc(O)c2c(=S)n1-c1ccc(Cl)cc1 40386951 RZVZNQOSVIAIOH-UHFFFAOYSA-N 373.869 3.813 0 40 FHAB C[C@@H](NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1ccncc1 40115838 XZAHULBECMOFCL-GDBMZVCRSA-N 366.490 3.785 0 40 FHAB O=C1CSc2ccc(C(=O)N[C@@H]3CCSc4ccc(F)cc43)cc2N1 10963676 ACAJIYXIGTUTGO-CYBMUJFWSA-N 374.462 3.837 0 40 FHAB COc1cc2c(cc1OC)C(=O)[C@@H](Cc1cc[n+](Cc3ccccc3)cc1)C2 603084 RCRQOFLAAVCAGE-FQEVSTJZSA-N 374.460 3.637 0 40 FHAB in-vitro CCN(CC)C(=O)CSc1nnc2c(C)cc3cc(C)cc(C)c3n12 929747 YGOFICPYTIJLOM-UHFFFAOYSA-N 356.495 3.768 0 40 FHAB COc1ccc(C)cc1NC(=O)/C=C/c1ccc(N2CCCC2=O)cc1 11427389 MWHHVQJOCDUDPZ-XYOKQWHBSA-N 350.418 3.782 0 40 FHAB COc1ccc(-c2nc(Cn3cnc4cc(Cl)ccc4c3=O)co2)cc1 31787291 XWFGTLOMCJHYJN-UHFFFAOYSA-N 367.792 3.762 0 40 FHAB COCCn1c(SCc2ccccc2)nnc1-c1ccc(OC)cc1 4169144 JCKTUHSJEUBMPL-UHFFFAOYSA-N 355.463 3.892 0 40 FHAB CCc1ccc(NC(=S)NCc2cc(OC)c(OC)c(OC)c2)cc1 7500740 ATWWXIJIQSQTJF-UHFFFAOYSA-N 360.479 3.761 0 40 FHAB C[C@@H](CNC(=O)c1cccc(I)c1)c1ccccc1 7794310 MNQQXIFERIYNQW-LBPRGKRZSA-N 365.214 3.825 0 40 FHAB CC(=O)c1ccc(OCCCC(=O)Nc2ccc(N3CCCC3)nc2)cc1 21143552 CIQNFNYYEFSAKH-UHFFFAOYSA-N 367.449 3.682 0 40 FHAB Cc1c(NC(=O)c2ccco2)cc(Br)c(N)c1Br 8702083 WYSUHAQTYDKEHA-UHFFFAOYSA-N 374.032 3.948 0 40 FHAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC2CC2)cc1Cl 10119179 KSJNDWBOLPCUSG-UHFFFAOYSA-N 368.820 3.730 0 40 FHAB Cc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 32817123 AEUZNQQNCCAQMJ-UHFFFAOYSA-N 357.475 3.893 0 40 FHAB Cc1ccc(C(=O)NCCC(C)C)cc1NS(=O)(=O)c1ccccc1 10366758 JRJRHNDFSGFFSL-UHFFFAOYSA-N 360.479 3.572 0 40 FHAB Cc1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc1 102531978 OWXJDIANIZXZCB-HZVDNRATSA-N 373.408 3.526 0 40 FHAB C[C@H]1Sc2ccc(C(=O)N(C)[C@H]3CCc4ccccc43)cc2NC1=O 32905627 QOJDHIFVRLBKCC-PXAZEXFGSA-N 352.459 3.879 0 40 FHAB COc1ccc([C@@H](CNC(=O)c2cc3ccccc3cc2O)N(C)C)cc1 2657934 KDBFGZAURIWHGR-HXUWFJFHSA-N 364.445 3.587 0 40 FHAB CC[C@H](C)NC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12 2625274 ZORGKTBTQMKHLL-NSHDSACASA-N 359.426 3.791 0 40 FHAB CCOc1cccc2c1N(C(=O)CSc1ncn[nH]1)C(C)(C)C=C2C 9938305 FRFOQMIDBLQJHJ-UHFFFAOYSA-N 358.467 3.524 0 40 FHAB Cc1cccc(/C=C/C(=O)NCc2cccnc2OCC(F)(F)F)c1 46652919 JTXMNOVLYFRTNP-BQYQJAHWSA-N 350.340 3.661 0 40 FHAB Cc1ccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)c2cccc(C)c2)cc1 714636 OFLXBKWIXSTZLH-SFHVURJKSA-N 362.351 3.913 0 40 FHAB Cc1c(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)[nH]c2c1C(=O)CCC2 54033578 AQIUPVROKTTYFH-INIZCTEOSA-N 368.433 3.652 0 40 FHAB O=C(Nc1ccc(F)cc1Cl)[C@@H]1CC(=O)N(c2ccccc2F)C1 23131244 FYRGTLFHYYOGGV-SNVBAGLBSA-N 350.752 3.610 0 40 FHAB Cc1oncc1C(=O)Nc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 54270515 YGKADZOPDZWRNN-UHFFFAOYSA-N 374.400 3.898 0 40 FHAB CC(C)CN1CCO[C@@H](CSc2ncnc3c2oc2ccccc23)C1 23844357 LAZYFSZXNNIGQK-CQSZACIVSA-N 357.479 3.825 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)c1cc2c(s1)CCC2)c1ccccc1F 24440691 MECJTVUOZROJPG-KRWDZBQOSA-N 355.438 3.629 0 40 FHAB O=c1cc(CSc2ncc3ccccn23)nc2sc3ccccc3n12 24842130 RUGIANVPURUXCI-UHFFFAOYSA-N 364.455 3.849 0 40 FHAB COCc1cc(C)nc2sc3c(=O)[nH]c(-c4ccc(OC)cc4)nc3c12 12445625 NTGFDPOKJAAHJW-UHFFFAOYSA-N 367.430 3.663 0 40 FHAB COc1ccc([C@@H](CC(=O)N(C)Cc2ccc(C)cc2C)NC(C)=O)cc1 25598901 CERDKDCEXPBUKT-OAQYLSRUSA-N 368.477 3.538 0 40 FHAB CC[C@@](C)(NCCc1ccccc1)c1nnnn1-c1ccc(Cl)cc1 35622221 NGFPVSVNMFCUFL-LJQANCHMSA-N 355.873 3.773 0 40 FHAB COc1ccc(C(=O)/N=c2\sc(C)c(-c3ccc(F)cc3)n2C)cc1 409205775 JYIPGHGMJHNVDA-VZCXRCSSSA-N 356.422 3.951 0 40 FHAB COc1ccccc1-c1noc(CSc2nnc(OC(C)C)s2)n1 58201004 DZNDEQMFCKKHLI-UHFFFAOYSA-N 364.452 3.676 0 40 FHAB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1OC 20458978 GJQQRZYSOGDPQM-YQCJOKCJSA-N 359.397 3.742 0 40 FHAB CC(=O)Oc1ccc(C(=O)OCc2ccccc2Cl)cc1OC(C)=O 3224540 ZYXSYKAEIQJBKV-UHFFFAOYSA-N 362.765 3.548 0 40 FHAB CCOc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)O)cc1OCC 12660324 FYPHDYPWFMLFGO-SFQUDFHCSA-N 369.417 3.648 0 40 FHAB O=C(COC(=O)c1cccnc1Cl)Nc1ccc(Cl)cc1Cl 3397226 QXSNWZXLWPRDFX-UHFFFAOYSA-N 359.596 3.837 0 40 FHAB COC(=O)c1ccc(CN2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1 12751168 RZUFHUOXBRUAGP-UHFFFAOYSA-N 367.445 3.577 0 40 FHAB O=C(CCCNC(=O)NC1CCCCC1)NCC1(c2ccccc2)CCC1 12949710 IKNKIOYMGBEBRU-UHFFFAOYSA-N 371.525 3.637 0 40 FHAB CCn1c(SCC(=O)N2CC[C@@H]3CCCC[C@H]3C2)nnc1-c1ccco1 8159769 ORZFRHLONJLVPF-GJZGRUSLSA-N 374.510 3.689 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(F)cc1 3551689 KVLAYWVBQGZBEA-QGZVFWFLSA-N 362.832 3.550 0 40 FHAB C[C@@H](Sc1nnnn1C1CCCC1)c1nnc(-c2ccc(F)cc2)o1 8232051 WAMFOGXIROYXAM-SNVBAGLBSA-N 360.418 3.831 0 40 FHAB O=C(COCCOc1ccccc1)N1CCC[C@@H]1CCc1ccccc1 70010654 YRUBBOAMUXFOQL-HXUWFJFHSA-N 353.462 3.706 0 40 FHAB COc1cc2[nH]c(=S)n(Cc3ccccc3Cl)c(=N)c2cc1OC 4053185 FQMUIZOSBYQXOB-UHFFFAOYSA-N 361.854 3.897 0 40 FHAB COc1ccc(Nc2ccccc2C(=O)N[C@H](C)c2nc(C)no2)cc1 64346624 TYMMYWGLNAQIAH-GFCCVEGCSA-N 352.394 3.621 0 40 FHAB Cc1ccc(NC(=O)CSc2nncn2-c2ccccc2F)cc1F 6129070 NKXXGNJVBDYZGB-UHFFFAOYSA-N 360.389 3.585 0 40 FHAB Cc1cc(C)c(NC(=O)COC(=O)c2n[nH]c3ccccc23)c(Cl)c1 6370701 SYUNKBCBXMHFHI-UHFFFAOYSA-N 357.797 3.629 0 40 FHAB COc1ccc(COC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1OC 65553718 HMDHMQXUCVUQSA-UHFFFAOYSA-N 368.389 3.783 0 40 FHAB Cc1ccc(C(=O)OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)cc1 6426635 HKOYNBAGOQDKCG-GOSISDBHSA-N 355.434 3.632 0 40 FHAB O=C(NCCc1ccco1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 14139845 AXDZKEXVVTWVIX-UHFFFAOYSA-N 359.385 3.969 0 40 FHAB C[C@@H]1CCCN(Cc2csc(NC(=O)COc3cccc(F)c3)n2)C1 14183708 WZLOFPUDMJRKNX-CYBMUJFWSA-N 363.458 3.532 0 40 FHAB O=C(NCc1nnc2ccccn12)c1ccc(Oc2ccc(F)cc2)cc1 14120013 ZWLYWAIQORDAGZ-UHFFFAOYSA-N 362.364 3.591 0 40 FHAB Cc1sc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c(C(N)=O)c1C 4502802 BVMMLJZOFXTDTE-VIFPVBQESA-N 352.843 3.523 0 40 FHAB CCC(CC)NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 69437925 OXKVECGPYGZDQG-HNNXBMFYSA-N 357.281 3.903 0 40 FHAB CCc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C)cc1 6542458 YCHWUZYPWDTMTD-UHFFFAOYSA-N 370.453 3.914 0 40 FHAB Cc1ccc(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)c(C)c1 22379164 RDDCBAMBWTVORR-UHFFFAOYSA-N 374.506 3.832 0 40 FHAB CCOC(=O)c1sc(NC(=O)COc2cccc3ccccc23)nc1C 6646719 BLFRGZVUMDCCEK-UHFFFAOYSA-N 370.430 3.799 0 40 FHAB CCc1cc2c(SCc3nc4ccsc4c(=O)[nH]3)ncnc2s1 6618055 VEYZTMCLIMKSPJ-UHFFFAOYSA-N 360.489 3.844 0 40 FHAB CC(=O)Nc1ccc(OC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 8723807 OFVUPTHHUANPJN-UHFFFAOYSA-N 364.357 3.710 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4731796 VTXGENCNNVFJNF-ZDUSSCGKSA-N 358.825 3.649 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2C)nc1 5689766 RNZQSTDVFYPXRD-UHFFFAOYSA-N 354.859 3.866 0 40 FHAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(F)cc1 6752918 YNJNZHXFNBVNNZ-IBGZPJMESA-N 351.381 3.877 0 40 FHAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccc(Br)c(Cl)c1 4954795 WQBDPEPULFNCMM-BCWBERDBSA-N 370.630 3.564 0 40 FHAB O=C(Cc1ccc2oc(-c3ccccn3)nc2c1)NCc1ccc(F)cc1 6943553 OSHOVAQTZCFDGA-UHFFFAOYSA-N 361.376 3.888 0 40 FHAB Cc1ccsc1C(=O)OCC(=O)NCc1ccc(C(F)(F)F)cc1 67197950 PYTKWJMQFWZRCV-UHFFFAOYSA-N 357.353 3.549 0 40 FHAB CCOc1ccccc1OCCCC(=O)N[C@H]1CCOc2ccccc21 7215561 OKKVLQNIWUYUOF-KRWDZBQOSA-N 355.434 3.884 0 40 FHAB C[C@H](NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1ccco1 8709165 KCWJSLQZIJPWKI-LKFCYVNXSA-N 350.827 3.613 0 40 FHAB Cc1cccc(C)c1OCCn1c(CN2CCOCC2)nc2ccccc21 19939679 QZTDMTBBYDESBM-UHFFFAOYSA-N 365.477 3.564 0 40 FHAB COc1ccc2nc(S[C@H](C)C(=O)Nc3ccccc3OC)[nH]c2c1 9219631 WFPKCKVHCLTRHS-LLVKDONJSA-N 357.435 3.699 0 40 FHAB COc1ccc(N2C[C@H](c3nc(-c4ccccc4)no3)CC2=O)cc1Cl 9320900 HFEAAZPTMKCCJJ-CYBMUJFWSA-N 369.808 3.919 0 40 FHAB O=C(c1ccc2c(n1)CCCC2)N1CCC[C@H]1c1ccc2c(c1)OCCO2 89800409 DWQVOUKJDBDNNY-IBGZPJMESA-N 364.445 3.709 0 40 FHAB Cc1ccc(-c2nnc(S[C@@H](C(=O)N(C)C)c3ccccc3)n2C)cc1 9500228 CLFBOMGHXBHRRQ-QGZVFWFLSA-N 366.490 3.712 0 40 FHAB C[C@@H](Oc1cccc(F)c1)C(=O)N(C)c1nnc(-c2ccccc2)s1 76093103 ACDAGADHGZXILF-GFCCVEGCSA-N 357.410 3.775 0 40 FHAB O=C(CCc1ncc(-c2ccccc2Cl)o1)N[C@H](CO)c1ccccc1 95456345 WQKUQYORDFLRRI-QGZVFWFLSA-N 370.836 3.777 0 40 FHAB COc1ccc([C@H](O)[C@H](C)NC(=O)c2ccc3ccc(Cl)cc3n2)cc1 95444116 FEXNNMUZIBNBRX-HXPMCKFVSA-N 370.836 3.749 0 40 FHAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2OC(F)F)cc1OC 29137617 WKSFYVZRWYWLQG-NSHDSACASA-N 351.349 3.796 0 40 FHAB COCCNC(=S)c1ccc(OCc2c(F)cccc2Cl)cc1 408578197 WQNRSZJNBJVJEA-UHFFFAOYSA-N 353.846 3.970 0 40 FHAB Cc1ccc(NC(=O)C[C@H]2C(=O)N(C3CC3)c3nc4ccccc4n32)c(C)c1 39964151 JMYZECZQDZRGTR-IBGZPJMESA-N 374.444 3.732 0 40 FHAB CC(C)[C@H]1N(C(=O)Nc2nccn2-c2ccccc2)CC12CCOCC2 557114647 DHLHXRNNTVZYAX-QGZVFWFLSA-N 354.454 3.541 0 40 FHAB Cc1ccc(C(=O)CCC(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1C 30030032 IRVDJIRJKWKIKT-OAQYLSRUSA-N 364.489 3.782 0 40 FHAB O=C(Nc1cnn(Cc2ccccc2)c1)c1ccc(Br)cc1 28303559 YVJBEEQPZIAKGQ-UHFFFAOYSA-N 356.223 3.946 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)N(C)Cc1ccc(Cl)cc1 223198665 XPQSGMJVEMCLLQ-UHFFFAOYSA-N 360.262 3.823 0 40 FHAB CCOc1cccc(N(CC)S(=O)(=O)c2ccc(OC)c(Cl)c2)c1 224967577 FNROAPOJKVJRJO-UHFFFAOYSA-N 369.870 3.963 0 40 FHAB C[C@H]1[C@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 86255949 KVCDRFYMLTZBJM-UONOGXRCSA-N 351.402 3.731 0 40 FHAB CCOc1ccccc1-c1noc(-c2nnn(-c3cccc(C)c3)c2C)n1 49001909 MDLVXRWKLRGRQZ-UHFFFAOYSA-N 361.405 4.000 0 40 FHAB CC[C@@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1)c1ccc(C)cc1C 222423364 GFTIWVZVPUGOBL-LJQANCHMSA-N 374.506 3.580 0 40 FHAB COC(=O)c1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)cc1 40266461 CESUCEIEUZPXAN-AWEZNQCLSA-N 365.364 3.922 0 40 FHAB Cc1cc(C)c(C)c(OCC(=O)NCc2ccc(CN3CCCC3)cc2)c1 44872483 LTVGEZRWSXXDSK-UHFFFAOYSA-N 366.505 3.903 0 40 FHAB C[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 43842494 VEHBMHATOONOLM-CHWSQXEVSA-N 361.825 3.756 0 40 FHAB Cc1cc(N2C[C@@H](C)C[C@@H](C)C2)nc(NC(=S)NCc2ccccc2)n1 225929045 NCRUCDMUELCVBF-GASCZTMLSA-N 369.538 3.754 0 40 FHAB Cc1[nH]c2c(C(=O)Nc3cccc(CN4CCOC4=O)c3)cccc2c1C 48362832 IAVHKQHDQIHWRF-UHFFFAOYSA-N 363.417 3.989 0 40 FHAB CCn1c(=O)sc2cc(NC(=O)COc3ccc(C)c(C)c3)ccc21 225098111 XLPDUGLZTPXWKF-UHFFFAOYSA-N 356.447 3.717 0 40 FHAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Cc1ccccc1F 225451655 LPTUQDCTISJBRL-UHFFFAOYSA-N 359.788 3.730 0 40 FHAB CCCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c(C)n1 225871953 APJHBSATZHUEBF-UHFFFAOYSA-N 354.450 3.866 0 40 FHAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C)C2)c(C)c1Br 231424949 QCQMZMMLZHLMHM-SNVBAGLBSA-N 360.317 3.795 0 40 FHAB Cc1sccc1C(=O)N[C@H]1CCO[C@@H]1c1nccn1-c1ccccc1 577460373 BSKNPQQCPLZTCV-IRXDYDNUSA-N 353.447 3.502 0 40 FHAB Cn1cncc1-c1cc(CC2CCN(C(=O)c3ccccc3)CC2)ccn1 257286860 PNJDBFGPFSMKJY-UHFFFAOYSA-N 360.461 3.577 0 40 FHAB O=C(NCC[C@H]1CC1(F)F)Nc1ccc(F)cc1-c1nc(C2CC2)no1 621437604 XBIVVEXCLNBAFU-JTQLQIEISA-N 366.343 3.920 0 40 FHAB Cc1ccccc1-c1nc(C)c(CNS(=O)(=O)c2cccs2)s1 96096724 XWQDTDYOQYGUBD-UHFFFAOYSA-N 364.517 3.967 0 40 FHAB COCCOC(=O)Nc1cccc(NC(=O)c2cccc3cccnc23)c1 58428757 IVXCHFIVTVYNBJ-UHFFFAOYSA-N 365.389 3.682 0 40 FHAB COC(=O)[C@@H]1CCN(C(=O)c2ccccc2C(F)(F)F)[C@@H]2CCCC[C@@H]12 598866379 JQRCHUZJBODTKZ-WOSRLPQWSA-N 369.383 3.899 0 40 FHAB COc1cc(C(=O)O[C@@H](C)CN2[C@@H](C)CCC[C@@H]2C)cc(OC)c1OC 12318967 IFISOMHXZPOZTF-KKUMJFAQSA-N 365.470 3.521 0 40 FHAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(Br)cc2)C1 13613759 FOFNIRKYJOUSMY-ZIAGYGMSSA-N 353.304 3.547 0 40 FHAB CS(=O)(=O)Nc1ccccc1C(=O)Nc1cc(Cl)ccc1Cl 14155125 QFOHHQXGTWJKRH-UHFFFAOYSA-N 359.234 3.617 0 40 FHAB CSCC[C@H]1NC(=S)N(c2ccc(OCc3ccccc3)cc2)C1=O 14166828 LPXDWRIILYILPY-QGZVFWFLSA-N 372.515 3.608 0 40 FHAB CC(=O)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 14464015 LLNBNMJUJBMZFU-CQSZACIVSA-N 357.793 3.501 0 40 FHAB O=C1NC[C@@]2(CCCN(Cc3ccc(Cl)s3)C2)Oc2ccccc21 19374803 WPDYQFVYZGXDIE-GOSISDBHSA-N 362.882 3.559 0 40 FHAB COc1cc2sc(NC(=O)Cc3c(C)noc3C)nc2cc1Cl 19580545 LDROMDJQWBCAPZ-UHFFFAOYSA-N 351.815 3.744 0 40 FHAB Cc1cc(C)c2[nH]c(C)c(CC(=O)Nc3cccc(Cn4cncn4)c3)c2c1 19715610 QCEVDYQJXKTYBN-UHFFFAOYSA-N 373.460 3.914 0 40 FHAB O=C(O)[C@@H](c1ccc(F)cc1)N1CCC(Cc2nc(C3CCC3)no2)CC1 629372097 DOUCFEZNBDJPQM-GOSISDBHSA-N 373.428 3.557 0 40 FHAB O=C(NCc1cnc[nH]1)C1(c2cccc(Br)c2)CCCCC1 674714733 FEWAEUXIQVCJHN-UHFFFAOYSA-N 362.271 3.691 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)n2C)cc1 916501 WYJXPXMIANILLG-GJZGRUSLSA-N 358.511 3.672 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc3ccccc3o2)c1C 4332438 ALAPYBWHDBKFMC-LBPRGKRZSA-N 369.373 3.593 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)N(C)Cc2ccc(Br)cc2)c1 5120273 CETLGVMZJMFKFS-UHFFFAOYSA-N 368.296 3.887 0 40 FHAB O=C(NCCc1c[nH]c2ccccc12)c1cc(Br)ccc1O 12031905 POGBRMLWPQLOAV-UHFFFAOYSA-N 359.223 3.609 0 40 FHAB Cc1cc(SCc2nnc(-c3ccc(Br)o3)o2)nc(C)n1 24568871 UGSDLESIJQXPGK-UHFFFAOYSA-N 367.228 3.791 0 40 FHAB Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1ccc(N2CCCC2)nc1 31633657 TVRLXMAENSFJLA-UHFFFAOYSA-N 352.413 3.792 0 40 FHAB CCCCn1c(CNC(=O)C23CC4CC(CC(C4)C2)C3)nnc1SC 4087514 URQGNXZIHNNMMP-UHFFFAOYSA-N 362.543 3.633 0 40 FHAB COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(C)ccc2C)c1 8843869 NSCONRRQOINJSJ-IBGZPJMESA-N 365.433 3.579 0 40 FHAB O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccc(F)c(F)c1 9627746 IMGSEUFGRXOYHX-UHFFFAOYSA-N 373.384 3.855 0 40 FHAB Cn1cccc1[C@@H](CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1 11845626 PQFNTNXJCRRZQA-QGZVFWFLSA-N 366.292 3.899 0 40 FHAB Cc1ccc(-c2noc(CSc3nc4ccsc4c(=O)n3C)n2)cc1 16843302 GZFMKVXQXLKEAJ-UHFFFAOYSA-N 370.459 3.646 0 40 FHAB COc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2CCC[C@@H](C)C2)cc1 23157251 KMUYYDKGQKKFLS-WBMJQRKESA-N 372.494 3.635 0 40 FHAB O=C(c1ccc(Cl)cc1)N1CC[C@@H](Oc2cnc3ccccc3n2)C1 618255391 OPWPUTHLODADRD-OAHLLOKOSA-N 353.809 3.577 0 40 FHAB O=C(CCc1ccccc1Br)NC[C@@H]1COc2ccccc21 521938214 TXKQCSHZWKNKES-CQSZACIVSA-N 360.251 3.674 0 40 FHAB COc1c(C)cnc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)c1C 1238172743 OTBIHKPVXVXZOL-UHFFFAOYSA-N 360.885 3.844 0 40 FHAB Cc1ccc(-c2nnc(CSc3nnc(-c4ccccc4)o3)o2)n1C 12462465 ZCFFJVXFZKLFEK-UHFFFAOYSA-N 353.407 3.726 0 40 FHAB O=C(N[C@H]1CCc2ccccc21)c1cnn2c(-c3ccccc3)ccnc12 40089933 SVWQXPUYNHWXBI-IBGZPJMESA-N 354.413 3.814 0 40 FHAB COC(=O)c1cc(NC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)ccc1F 40115084 FHKMLJFKAAUOLL-UHFFFAOYSA-N 373.380 3.921 0 40 FHAB CN(C(=O)CSc1nc2ccccc2s1)c1ccccc1C(=O)O 819853 RQAKVKXEUAGMDO-UHFFFAOYSA-N 358.444 3.750 0 40 FHAB O=C(c1cc2ccccc2oc1=O)N(Cc1cccs1)C[C@H]1CCCO1 1224447 IDPCPTRHHUVZGC-OAHLLOKOSA-N 369.442 3.676 0 40 FHAB Cc1cc2nc(-c3ccc(SCC(=O)NC(C)C)nc3)[nH]c2cc1C 1329718 NDBDNMOMMVAQGY-UHFFFAOYSA-N 354.479 3.858 0 40 FHAB CCCCN1C(=O)S[C@H](Cc2cc(OC)c(OC)cc2Cl)C1=O 6647680 BFDYJCYHWONESW-CQSZACIVSA-N 357.859 3.764 0 40 FHAB CCCCNc1nc(SCC(=O)Nc2cc(C)[nH]n2)nc2ccccc12 3912149 TZLSJQFNYNAFQY-UHFFFAOYSA-N 370.482 3.604 0 40 FHAB CC(C)Oc1cccc(C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)c1 6358505 DMRYBJIEVZHRNV-UHFFFAOYSA-N 372.534 3.903 0 40 FHAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3c(C)cc(C)cc3C)ccc21 6732881 JWYWRYKVOZEVPM-UHFFFAOYSA-N 372.490 3.712 0 40 FHAB S=C(NCc1ccco1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 6971244 ULTBTVWYMUGASD-UHFFFAOYSA-N 370.305 3.783 0 40 FHAB CC(=O)c1cccc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)c1 11856559 HKDZRDYHNFKPCN-UHFFFAOYSA-N 363.369 3.674 0 40 FHAB CC(C)c1ccc(OCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 7642013 RUFYTRCYFQFYKR-UHFFFAOYSA-N 352.434 3.954 0 40 FHAB O=C(O)c1ccccc1[C@H]1c2sc(=O)[nH]c2S[C@H]2[C@@H]3CC[C@H](C3)[C@H]12 100972053 CVZSTKXZJGBVGW-HHYDMIPZSA-N 359.472 3.787 0 40 FHAB CC(C)(NS(=O)(=O)c1cccs1)c1ccc(Br)cc1 32475286 VMUPDQMGOMZAPJ-UHFFFAOYSA-N 360.298 3.724 0 40 FHAB Cc1nc2c(cc(OCC(=O)Nc3ncccc3O)c3ccsc32)s1 32742613 HFTDJYPZILBYDQ-UHFFFAOYSA-N 371.443 3.938 0 40 FHAB CC(C)c1ccccc1NC(=O)CCCN(c1ccccc1)S(C)(=O)=O 8481132 WVUWAAXDIYZMJS-UHFFFAOYSA-N 374.506 3.995 0 40 FHAB CCc1cccc(CC)c1NC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1 8704397 IDZXVZOUQABNPA-UHFFFAOYSA-N 374.506 3.750 0 40 FHAB O=S(=O)(NCCc1cccs1)c1cc(C(F)(F)F)ccc1Cl 32797671 FBIZMUYVYSDJAW-UHFFFAOYSA-N 369.817 3.941 0 40 FHAB O[C@H](COc1cc(Cl)ccc1Cl)CN1CCc2sccc2C1 32888311 YMIXEHIXRRECJR-ZDUSSCGKSA-N 358.290 3.853 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)CCc1nc(-c2cccs2)no1 58093195 SCYMHCZQJQNTQV-AWEZNQCLSA-N 355.463 3.868 0 40 FHAB Cc1nc(NC(=O)CCc2nc(C(C)(C)C)no2)sc1-c1ccccn1 33164511 YTLCDJSIWSLEFU-UHFFFAOYSA-N 371.466 3.765 0 40 FHAB O=C(NCCSCc1cccc2ccccc12)NC1CCC(O)CC1 52979252 WCWGYYJRUCNXLL-UHFFFAOYSA-N 358.507 3.676 0 40 FHAB Cc1cc(Cl)ccc1OCC(=O)Nc1cnn(Cc2ccccc2)c1 28226299 HPWKJDZRIPACPN-UHFFFAOYSA-N 355.825 3.911 0 40 FHAB COc1cccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@H](C4)[C@H]23)c1O 100872128 ZSRYUSRGJUITDT-FRCJOOGCSA-N 361.488 3.803 0 40 FHAB COc1ccccc1N1CCN(C(=O)/C=C/c2ccccc2Cl)CC1 832375 ALTPZTXLNDXGGH-ZHACJKMWSA-N 356.853 3.711 0 40 FHAB COc1ccc(NC(=O)COc2cccc(C)c2)cc1-c1ccc(CO)o1 20143869 UVJKAAHGQGIUAF-UHFFFAOYSA-N 367.401 3.773 0 40 FHAB COC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccc(C(C)(C)C)cc1 1100564 ARLFCGIZWHGZAL-BLLLJJGKSA-N 372.490 3.806 0 40 FHAB CSc1ccc(N2C[C@H](C(=O)N3c4ccccc4C[C@@H]3C)CC2=O)cc1 24228089 NFCRTQMHQOQDOI-GOEBONIOSA-N 366.486 3.739 0 40 FHAB CC(=O)N1CCCN(C(=O)c2ccc(-c3cccc(Cl)c3)s2)CC1 55094088 YSILLHZODOPSLG-UHFFFAOYSA-N 362.882 3.763 0 40 FHAB O=C(N[C@H](Cc1ncc[nH]1)c1ccccc1)c1cccc(-n2cccc2)c1 12538765 UJRLPKRLZBPEDZ-HXUWFJFHSA-N 356.429 3.914 0 40 FHAB C[C@H](NC(=O)C[S@](=O)C/C=C/c1ccccc1)c1ccc(F)cc1F 24828905 HOXIDNJOPVDOJF-DOKHCGIPSA-N 363.429 3.604 0 40 FHAB Cc1ccccc1C1CCN(C(=O)Nc2ccc(-n3ccnn3)cc2)CC1 106945472 GRRJDZGFRQCRDX-UHFFFAOYSA-N 361.449 3.987 0 40 FHAB Cc1cc(/C=C/C(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)n1-c1ccnn1C(C)C 25464258 FGDCQJBEUYVHER-NXVGNOFTSA-N 370.497 3.521 0 40 FHAB COc1ccc(-c2nc([C@@H]3NC(=O)c4ccccc4N3C)cs2)cc1 12543119 PRNNRISMHLSIMK-QGZVFWFLSA-N 351.431 3.697 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)Nc2cccc(NC(=O)c3ccccc3)c2)on1 56174503 IQQGRZPHFFNUDT-CQSZACIVSA-N 364.405 3.674 0 40 FHAB COc1ccccc1S(=O)(=O)N(C)[C@@H](c1ccccc1)c1ccccn1 56100281 LAMAKZMQRWTRTH-FQEVSTJZSA-N 368.458 3.500 0 40 FHAB Cc1cc(NC(=O)[C@H](C)Nc2cccc(COCc3ccco3)c2)no1 56188617 YTUHZDAODVYRIT-AWEZNQCLSA-N 355.394 3.732 0 40 FHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)NCc1cnn(-c3ccccc3)c1)C2 107334276 VZWAVRVHWIBCAV-MDKPJZGXSA-N 352.482 3.886 0 40 FHAB Cn1cnnc1CNC(=O)C1(c2ccc(C(C)(C)C)cc2)CCCCC1 56872143 HUIDQUDYYVJAHV-UHFFFAOYSA-N 354.498 3.631 0 40 FHAB CC(C)(C)c1ccc(-c2noc(CN3C(=O)COc4ccccc43)n2)cc1 44166701 XUJCVMVMSGAJPD-UHFFFAOYSA-N 363.417 3.960 0 40 FHAB CCC(=O)Nc1ccc(NC(=O)N[C@@H]2CCOc3ccccc32)cc1C 47968729 HXIVTHBVPVPQJO-QGZVFWFLSA-N 353.422 3.989 0 40 FHAB COc1cc(OCCCCOc2ccc(C=O)c(OC)c2)ccc1C=O 1811775 YEAWIMRZLAWHFD-UHFFFAOYSA-N 358.390 3.567 0 40 FHAB CC[C@@H]1c2ccsc2CCN1Cc1cc(=O)n2cc(Cl)ccc2n1 12686433 RUACAQMLKDKDAT-OAHLLOKOSA-N 359.882 3.919 0 40 FHAB O=C(CC[C@@H]1CCCO1)NCc1ccc(Cn2cnc3ccccc32)cc1 58224561 OCKJSYHHIDYLKU-IBGZPJMESA-N 363.461 3.660 0 40 FHAB COc1cc([C@H]2SCC(O)=Nc3[nH]nc(C)c32)ccc1OC(F)F 44921463 RUTDGKGHBQWGRD-CYBMUJFWSA-N 355.366 3.752 0 40 FHAB CCc1nc2ccccc2c(C(=O)OCC(=O)NC2CCCCC2)c1C 3318100 ZUFHEJDQABQGFJ-UHFFFAOYSA-N 354.450 3.711 0 40 FHAB Cn1nc(C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)c2ccccc2c1=O 48308643 BPPJSBJPMQKHIE-FQEVSTJZSA-N 373.456 3.616 0 40 FHAB Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1NC(=O)c1ccco1 3451493 RVNOBHUOWVAOOF-UHFFFAOYSA-N 364.357 3.821 0 40 FHAB Cc1ccc(-c2cc(NC(=O)CN3CCC[C@H]3c3cccn3C)on2)cc1 7855427 LZBDOLGHMZDYDT-IBGZPJMESA-N 364.449 3.764 0 40 FHAB C[C@H]1C[C@@H](C)CN(CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C1 12982235 KWXHZNPBKPOBGQ-IYBDPMFKSA-N 352.482 3.666 0 40 FHAB CCc1ccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 12990218 MIOTUTKYPVFGRJ-UHFFFAOYSA-N 354.494 3.910 0 40 FHAB Cc1ccc(-n2nnnc2SCC(=O)NC2CCCCCCC2)c(C)c1 7978805 BNPVJXZDEQREEI-UHFFFAOYSA-N 373.526 3.600 0 40 FHAB CNC(=O)c1ccc(=O)n(Cc2csc(-c3ccc(C(C)C)cc3)n2)c1 63538458 JDNPTJMQAIFYNR-UHFFFAOYSA-N 367.474 3.503 0 40 FHAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1cccc(F)c1 8310420 WYMHFYVADPMPLL-GOSISDBHSA-N 370.424 3.763 0 40 FHAB O=C(Nc1nnc(C2CCCCC2)s1)c1cncc(Br)c1 8326632 HAEMRQYELDFQKY-UHFFFAOYSA-N 367.272 3.996 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)Cc2noc3ccccc23)c(OC)c1 39984324 IQEBUELXYRAUBO-GOSISDBHSA-N 366.417 3.751 0 40 FHAB Cc1cc(C)c(NC(=O)COC(=O)COc2ccc3c(c2)CCC3)c(C)c1 5241759 DQRKUDGHNGSQIT-UHFFFAOYSA-N 367.445 3.661 0 40 FHAB O=C(COc1ccc(-c2nnco2)cc1)Nc1ccc(C(F)(F)F)cc1 5209255 RMDFGCJGTSDPRV-UHFFFAOYSA-N 363.295 3.773 0 40 FHAB Cc1c(Cl)cccc1NC(=S)N1CCN(c2cccc(O)c2)CC1 6399475 DGEZIBPIIXIRAE-UHFFFAOYSA-N 361.898 3.873 0 40 FHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(N2CCCC2=O)cc1 29379401 JHPJRFAGAOHAAE-CYBMUJFWSA-N 358.825 3.873 0 40 FHAB CC(C)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccncc3)=NN12 5575715 UIJKUKUBGOTTQZ-HXUWFJFHSA-N 362.477 3.826 0 40 FHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N[C@H]1CCc2ccccc21 8774608 PZPYEVJRKPIPLE-KRWDZBQOSA-N 351.381 3.612 0 40 FHAB COc1cc(NC(=O)Cc2cnn(-c3ccccc3)c2)c(OC)cc1Cl 14899878 STPRYSNHKHVVNS-UHFFFAOYSA-N 371.824 3.724 0 40 FHAB Cc1cccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)c1 8715850 WSLNEPFRQREMQI-UHFFFAOYSA-N 352.415 3.539 0 40 FHAB CC(C)c1ccc(C(=O)N[C@H](C(=O)NCCc2ccccc2)C(C)C)cc1 15079870 BLUPSGPNGSDWAU-NRFANRHFSA-N 366.505 3.923 0 40 FHAB C[C@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)N(C)c1ccccc1 4936844 DBRXBCQJSKCLEL-ZDUSSCGKSA-N 370.453 3.765 0 40 FHAB C[C@H](OC(=O)c1ccc2nc(N)sc2c1)C(=O)c1c[nH]c2ccccc12 7057189 NGBKXHVDDQSXSW-JTQLQIEISA-N 365.414 3.788 0 40 FHAB COc1cccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)c1 7109589 ACPRJTSRYGVZIQ-UHFFFAOYSA-N 360.460 3.857 0 40 FHAB CC(=O)N[C@@H](CC(=O)N1CCCCC[C@H]1c1cccn1C)c1cccs1 67510114 GRJKKEGHUYOUAE-WMZOPIPTSA-N 373.522 3.798 0 40 FHAB CC(C)NC(=O)[C@H](c1ccccc1)[C@@H](C(=O)NC(C)C)c1ccccc1 18193544 IOTOCXXXGKIUAM-BGYRXZFFSA-N 352.478 3.603 0 40 FHAB Nc1c(Cl)cccc1C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1 18403051 FAAHMGHAPWACQH-UHFFFAOYSA-N 372.730 3.737 0 40 FHAB CCc1ccc(OCCSc2nnc(-c3ccccc3)c(O)n2)cc1 9052751 WDDGCITWBGSFJZ-UHFFFAOYSA-N 353.447 3.978 0 40 FHAB CCOc1cc2c(cc1NC(=O)c1cc(OC)cc(OC)c1)O[C@H](C)C2 9643793 SMFQQCMSWIEZAO-GFCCVEGCSA-N 357.406 3.678 0 40 FHAB COc1ccc(CCC(=O)NCCn2ccc3ccc(F)cc32)cc1OC 72405634 HWJIZJUKNSRRGY-UHFFFAOYSA-N 370.424 3.547 0 40 FHAB COc1ccccc1C(=O)Nc1ccc(Oc2ccc3c(c2)OCO3)nc1 72401813 OEURZBKULDEKGZ-UHFFFAOYSA-N 364.357 3.864 0 40 FHAB Cc1nc(C(C)C)c(-c2nn3c(-c4snnc4C)nnc3s2)s1 95479783 PVNPBCFRFMNGAX-UHFFFAOYSA-N 363.497 3.568 0 40 FHAB CC(=O)Nc1cc(NCc2nc(-c3ccc(C)c(F)c3)no2)ccc1F 73881220 PMPRYHQRSOCZDP-UHFFFAOYSA-N 358.348 3.894 0 40 FHAB O=C(NCCN[C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccccc1 95967498 VNMWQKAXNSMDIZ-LJQANCHMSA-N 350.462 3.843 0 40 FHAB FC(F)(F)c1cccc([C@H](NCc2ccc(Cl)nc2)c2nc[nH]n2)c1 95945350 XIJMTUSQSVLFRG-AWEZNQCLSA-N 367.762 3.751 0 40 FHAB CC(C)(C)[C@@H]1CCN(C(=O)Nc2ccc3oc(C4CC4)nc3c2)C[C@@H]1O 95996485 JBUBKTKVDTVBQW-ZBFHGGJFSA-N 357.454 3.966 0 40 FHAB Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)C(C)C)cc3O)nc2c1 408625359 XRYQDFYWCVNDAB-UHFFFAOYSA-N 369.446 3.978 0 40 FHAB COc1cccc2c(C)nc(Nc3nc(C)c(CCC(C)C)c(=O)[nH]3)nc12 20673183 WBSGUGCEKANONB-UHFFFAOYSA-N 367.453 3.671 0 40 FHAB Cc1c(F)cccc1NC(=O)CCN1CC[C@@H](n2ncc3ccccc32)C1 510410618 AHINIPQMOBJJKT-QGZVFWFLSA-N 366.440 3.759 0 40 FHAB O=C(NC[C@H]1CCCN1Cc1ccccc1)c1cnc(-c2ccco2)s1 513254150 IIPUYXDWCHFESN-MRXNPFEDSA-N 367.474 3.798 0 40 FHAB CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 216469379 OPPOGSKPVCDUBY-GFCCVEGCSA-N 366.870 3.669 0 40 FHAB Cc1cc(O[C@@H](C)C(=O)Nc2ccnn2Cc2ccco2)ccc1Cl 32593350 UZCPMKLQAVHSNC-ZDUSSCGKSA-N 359.813 3.892 0 40 FHAB CCN(C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)c1ccccc1C 36392093 QHOCKFLBYHXUGR-UHFFFAOYSA-N 351.855 3.719 0 40 FHAB COCCNc1ncc(-c2ccc3c(c2)OCO3)c(-c2cccs2)n1 72340386 KRQJHXZAGADUSE-UHFFFAOYSA-N 355.419 3.659 0 40 FHAB CN(c1cccc(NC(=S)Nc2ccc(Cl)cc2)c1)S(C)(=O)=O 225463036 MPNUAGOKOZHJSV-UHFFFAOYSA-N 369.899 3.545 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 224134734 IRKUKGWQQFEFIW-LJQANCHMSA-N 372.896 3.826 0 40 FHAB C[C@@H](NC(=O)Cn1ccc(=O)c2cc(F)ccc21)c1ccc(Cl)cc1 225752964 NCOJMNBRCJVPRH-GFCCVEGCSA-N 358.800 3.671 0 40 FHAB CCc1cc(N)cc(C)c1NC(=O)COc1ccc(Br)cc1 45890235 YBWRLVJESMFQHK-UHFFFAOYSA-N 363.255 3.920 0 40 FHAB CCCCC[C@@](C)(OC)C(=O)Nc1cnc(OCCOCC)c(C)c1 225887161 ZGAKFJPPOMDZEM-LJQANCHMSA-N 352.475 3.729 0 40 FHAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 225210413 VVGSSUMMJOOLEO-GOSISDBHSA-N 374.484 3.936 0 40 FHAB CC[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1OC)c1ccccc1 44900036 TUHVTSJGSWCIAY-ABDJAZHISA-N 355.434 3.993 0 40 FHAB CCc1ccc(N([C@@H](C)C(=O)Nc2c(C)cccc2C)S(C)(=O)=O)cc1 220261217 XPNNIJYLOQZJDE-INIZCTEOSA-N 374.506 3.659 0 40 FHAB CCc1ccc(CC(=O)N(C)Cc2nc(-c3ccc(OC)cc3)no2)cc1 223556268 ZQXPKYBJTBLOHX-UHFFFAOYSA-N 365.433 3.509 0 40 FHAB CC(C)CN1C(=O)[C@]2(CCN(Cc3ccc(F)cc3)C2)c2ccccc21 96100309 DJIHMLHSAJCCLO-QFIPXVFZSA-N 352.453 3.972 0 40 FHAB Cc1nc(NCCc2ccc(Cl)cc2)cc(C(=O)N2CCCCC2)n1 96182845 DZLCFEUADYUXJD-UHFFFAOYSA-N 358.873 3.719 0 40 FHAB CC(C)CNC(=O)C[C@@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21 96053544 NVCSQIJFKRRYOO-LJQANCHMSA-N 370.537 3.960 0 40 FHAB Cc1ccsc1CN1CCC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 96107284 IBQXRDRLFDGEFY-QUCCMNQESA-N 358.507 3.792 0 40 FHAB Cc1cccc(Nc2cc([C@@H]3CCCN3C(=O)c3ocnc3C)ccn2)n1 257278033 OAMKEUSUXFZVCC-INIZCTEOSA-N 363.421 3.802 0 40 FHAB COc1ccc2c(ccn2CC(=O)NCC2(c3ccccc3OC)CC2)c1 623933344 ZGCMVNXTBMIJMF-UHFFFAOYSA-N 364.445 3.507 0 40 FHAB Cn1c2c(ccc1=O)[C@@H](N[C@@H]1CCCc3nn(-c4ccccc4)cc31)CCC2 652334363 JURNUMWANUDBCW-VQTJNVASSA-N 374.488 3.616 0 40 FHAB CC1(C)C[C@@H]2CN(C(=O)c3cscn3)CC[C@@H]2N1c1ccc(F)cc1 1615119017 HATGAFINFJSFII-DYVFJYSZSA-N 359.470 3.802 0 40 FHAB COc1ccc2nc(SCC(=O)Nc3cc(C(C)(C)C)no3)[nH]c2c1 5165327 VPFKOVRTNUKBSF-UHFFFAOYSA-N 360.439 3.588 0 40 FHAB Cc1cc2c(cc1C)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccccc3)CC1)O2 12329248 DTQALJQSFYPEBS-LEWJYISDSA-N 367.489 3.688 0 40 FHAB CCOc1ccc([C@@H](C)NC(=O)c2cc(OC)cc(OC)c2)cc1OCC 13674917 XMOYGUOSPQEDIP-CQSZACIVSA-N 373.449 3.992 0 40 FHAB Cc1nc(-c2cccs2)sc1C(=O)OCc1ccc(C(N)=O)cc1 16564788 NZZOGJIHWCORGI-UHFFFAOYSA-N 358.444 3.636 0 40 FHAB Cc1ccc(CC(=O)N2CCC[C@H]2c2n[nH]cc2-c2onc(C)c2C)cc1 19209500 WCZJXBKEEFECOL-SFHVURJKSA-N 364.449 3.896 0 40 FHAB CCCc1ccc([C@@H](NC(=O)CCNC(=O)c2ccco2)C(C)C)cc1 19311525 OAUSPNSCGHIAFI-FQEVSTJZSA-N 356.466 3.866 0 40 FHAB Cc1noc(-c2c[nH]nc2[C@H]2CCCN2C(=O)Cc2ccccc2F)c1C 19558053 JTVLPKCYHRZRNU-QGZVFWFLSA-N 368.412 3.727 0 40 FHAB CN(C)C[C@@H]1CCCCN1C(=O)c1cc(-c2ccncc2)nc2ccccc12 19581963 VEEDXJYRQYAEPD-SFHVURJKSA-N 374.488 3.853 0 40 FHAB CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1cccc(F)c1 19589260 NFRSWKFFTTYWDP-VAMGGRTRSA-N 356.416 3.667 0 40 FHAB O=C(C1CCCC1)N1CCO[C@H](c2nccnc2-c2cccc(Cl)c2)C1 19693058 RPQDFIIFMRKOAG-KRWDZBQOSA-N 371.868 3.887 0 40 FHAB Cc1ccc(C(=O)NC(=S)Nc2cccc(/C=C/C(=O)O)c2)c(Cl)c1 226323185 VOIQJWYFADCSLD-SOFGYWHQSA-N 374.849 3.873 0 40 FHAB Cc1cccn2cc(COc3ccc(C(=O)NCCC(C)C)cc3)nc12 10356069 SZBNZTNCKLKRAD-UHFFFAOYSA-N 351.450 3.998 0 40 FHAB Cc1cc(C)c(NC(=O)CNC(=O)NCCc2ccc(Cl)cc2)c(C)c1 32862499 HMZUQIDKAVNSFI-UHFFFAOYSA-N 373.884 3.746 0 40 FHAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CCCCC2)[C@@H]1CNC1Cc2ccccc2C1 1775964447 VUMOUVCLODXIGC-SVCSISOJSA-N 366.549 3.949 0 40 FHAB biogenic,in-vitro O=C1CCCN1CN(C(=O)c1ccccc1F)c1nc2ccccc2s1 4137981 QXGCDLQVRYPKIP-UHFFFAOYSA-N 369.421 3.662 0 40 FHAB Cc1c(Cl)cccc1NC(=O)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 4373954 KGMFHEPRINHJRH-CYBMUJFWSA-N 361.804 3.715 0 40 FHAB O=C(c1cc2ccccc2oc1=O)N1CCC(c2nc3ccccc3[nH]2)CC1 4314958 NOUZIOOHWFYCAA-UHFFFAOYSA-N 373.412 3.689 0 40 FHAB Cc1ccc(NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)c(Cl)c1 6850513 UJBSEVZKUATJNZ-UHFFFAOYSA-N 367.792 3.743 0 40 FHAB Cc1ccc(OCC(=O)OCc2cc(-c3ccc4c(c3)OCO4)on2)cc1 16838707 IEUXMYUJERANFC-UHFFFAOYSA-N 367.357 3.501 0 40 FHAB O=C(NCc1c(-c2ccc(F)cc2)nc2n1CCS2)c1ccccc1F 17170830 AVPXZGXNRQZVSC-UHFFFAOYSA-N 371.412 3.864 0 40 FHAB Cc1ccc([C@H](CNC(=O)c2cccc3ccccc23)N2CCOCC2)cc1 23105842 NCWNBHQZPGABEY-QHCPKHFHSA-N 374.484 3.952 0 40 FHAB Cc1cc(C)c2s/c(=N\S(=O)(=O)c3ccc(Cl)s3)n(C)c2c1 101022469 HWMFHGMIFDTFSK-PEZBUJJGSA-N 372.924 3.861 0 40 FHAB COc1cc(NC(=O)NCc2ccccc2)ccc1N1CCCCC1=O 38489788 DSQUKDMTKFGPHG-UHFFFAOYSA-N 353.422 3.534 0 40 FHAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc2c(c1)OCO2 4111965 PXEKJZIHLYTGRI-UHFFFAOYSA-N 353.330 3.591 0 40 FHAB COc1ccc(C(=O)Nc2ccc(CN3CCCC3)cc2)c(OC)c1OC 28165703 LGKYXWXGVJXUMG-UHFFFAOYSA-N 370.449 3.561 0 40 FHAB CCN1/C(=c2/sc3nc4ccccc4n3c2=O)C=Cc2cc(C)ccc21 100081914 OGSITTGNIXZUFA-VHEBQXMUSA-N 359.454 3.598 0 40 FHAB Cc1cc(NC(=O)CN(C)C(=O)c2ccc(-c3ccccc3Cl)o2)no1 40013152 QQMNJFOUYGGXRP-UHFFFAOYSA-N 373.796 3.607 0 40 FHAB Cn1ccnc1[C@H](NC(=O)[C@H]1CCCc2ccccc21)c1ccccc1F 40059007 HOXASFDOAUNFRJ-FXAWDEMLSA-N 363.436 3.885 0 40 FHAB Cc1noc2ncc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)cc12 30930616 HGMWIAHZDITDMJ-UHFFFAOYSA-N 353.422 3.638 0 40 FHAB CSCc1cccc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)c1 10903155 TYPJVOWKGKDGRX-UHFFFAOYSA-N 354.475 3.828 0 40 FHAB COc1ccc(CNC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)cc1 8075294 JHHCWRFRIUHPNE-UHFFFAOYSA-N 369.852 3.832 0 40 FHAB COc1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 780471 JYSAVHLCQFKZLV-UHFFFAOYSA-N 372.852 3.840 0 40 FHAB CC[C@@H](C)OC(=O)Cn1cnc2sc(C)c(-c3ccc(F)cc3)c2c1=O 807849 BOSVIGKNKUJLRY-LLVKDONJSA-N 374.437 3.914 0 40 FHAB Cc1cccc(N2C(=O)CN(C(C)C)C(=O)[C@H]2c2ccc(F)cc2)c1C 1358100 YCKJELDBCLQVQN-HXUWFJFHSA-N 354.425 3.767 0 40 FHAB COc1cccc(OC)c1C(=O)OCC(=O)Nc1cccc2ccccc12 1948833 SYMOFVGOVRHTNT-UHFFFAOYSA-N 365.385 3.653 0 40 FHAB Cc1ccc(OCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 7721061 HJJLBPRNUYOZPD-UHFFFAOYSA-N 371.824 3.736 0 40 FHAB CS(=O)(=O)Nc1cccc(C(=O)N2CCC[C@@H]2CC2CCCCC2)c1 60240503 MJQUKUQEGVNSFH-GOSISDBHSA-N 364.511 3.633 0 40 FHAB O=C(CNCc1cccs1)Nc1ccccc1C(=O)c1ccccc1 2647530 ULGXORQIIJPIEO-UHFFFAOYSA-N 350.443 3.707 0 40 FHAB Fc1ccc(-c2nn(-c3ccccc3)cc2CNC[C@H]2CCCO2)cc1 32739815 RXGFIGVJUMBJPL-HXUWFJFHSA-N 351.425 3.947 0 40 FHAB CC(C)c1nc2cc(NC(=O)[C@H](C)NC(=O)c3cccs3)ccc2o1 32818784 PKLFXLLKYGAXRB-NSHDSACASA-N 357.435 3.770 0 40 FHAB Cc1nn(C)c2ncc(C(=O)N(C)Cc3ccc(C(C)(C)C)cc3)cc12 46567832 LDSKSAVNELHKDV-UHFFFAOYSA-N 350.466 3.846 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)Nc1noc(-c2ccc(Cl)cc2)n1 21800623 KIMAJQQWXMQHJQ-NSHDSACASA-N 373.796 3.805 0 40 FHAB COc1cc2nc(N3CCC(c4ccccc4)CC3)nc(N)c2cc1OC 577842 DJJLZBAERKWDKG-UHFFFAOYSA-N 364.449 3.613 0 40 FHAB C[C@@H](OC(=O)c1ccc2c3c(cccc13)CC2)C(=O)N1CCCCCC1 22004421 MBCUCIMYDNIGLM-OAHLLOKOSA-N 351.446 3.886 0 40 FHAB Cc1nc(-c2cccc(F)c2)sc1C(=O)Nc1ccc(C(N)=O)cc1 61718670 ZNBANFSWXWVDMP-UHFFFAOYSA-N 355.394 3.609 0 40 FHAB C[C@@H](NC(=O)NCc1ccnc(N(C)C)c1)c1cccc(C(F)(F)F)c1 47612220 UKMPOVBERXELFW-GFCCVEGCSA-N 366.387 3.727 0 40 FHAB CN(CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(C(F)(F)F)cn1 23486526 FFHGFPNFTLHPOU-UHFFFAOYSA-N 363.261 3.593 0 40 FHAB CCc1nc2ccccc2n1CC(=O)Nc1cnc2c(cnn2C(C)C)c1 12531400 ZBGFEDXSMXAQOP-UHFFFAOYSA-N 362.437 3.563 0 40 FHAB CCn1cc([C@@H](C)NC(=O)c2ccc(COCC(F)(F)F)cc2)c(C)n1 1012134 TZASQBLBQRTIQP-GFCCVEGCSA-N 369.387 3.781 0 40 FHAB C[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[C@H](c2ncncc2-c2ccccn2)CC1 100152670 XRILZVPAHAXQEN-NCOADZHNSA-N 350.466 3.585 0 40 FHAB CC(=O)N(c1ccccc1)c1nc(CSc2nc(C)cc(N)n2)cs1 12534536 XWDMITDULXBQBK-UHFFFAOYSA-N 371.491 3.801 0 40 FHAB Cc1ccccc1NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)ccc1=O 1394394 LBINUJMGJAGGJX-UHFFFAOYSA-N 373.334 3.812 0 40 FHAB COc1ccc([C@@H]2COc3ccccc3C(=O)N2C(=O)c2ccco2)cc1 1399602 MHJNLRUMVAJJHX-KRWDZBQOSA-N 363.369 3.705 0 40 FHAB Cc1nn(C)c(C)c1CN1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1 27927615 ACOJZWWQQISSSG-UHFFFAOYSA-N 369.513 3.510 0 40 FHAB Cc1ccc(NC(=S)N/N=c2/c(=O)c3cccc4cccc2c43)cc1C 3234759 GGJSEZYINXFNKG-FCDQGJHFSA-N 359.454 3.648 0 40 FHAB O=C(NC1CCCC1)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 107101593 HZPXILMLQWHFCW-UHFFFAOYSA-N 358.751 3.612 0 40 FHAB CSc1ncccc1C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 25536642 HWURZQOHMMJDTK-IBGZPJMESA-N 369.534 3.616 0 40 FHAB C[C@H](N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)N1CCCC1 56153314 MJZSZDOPEMSOLN-IRXDYDNUSA-N 365.477 3.600 0 40 FHAB O=C(NC[C@@H]1CCCO1)c1cn(-c2ccccc2)nc1-c1cccs1 3209319 OJTXXIZUOCLOAX-HNNXBMFYSA-N 353.447 3.510 0 40 FHAB Cn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 68561880 XMTTXROMSPLFNS-ZWKOTPCHSA-N 352.438 3.736 0 40 FHAB O=C(OCc1nc(-c2ccc3c(c2)OCO3)no1)c1cccc2ccccc12 57476992 ZTECBYQXCNTHFY-UHFFFAOYSA-N 374.352 3.976 0 40 FHAB CCNC(=O)NC(=O)CNc1cc(Cl)ccc1Oc1ccc(C)cc1 12621525 WSAVXSHCYPLWSE-UHFFFAOYSA-N 361.829 3.698 0 40 FHAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1csc(-c2cccs2)n1 12601053 PWFNPNHXFFOLIJ-UHFFFAOYSA-N 358.444 3.873 0 40 FHAB O=C(CN1CCC[C@H]1c1ccccc1)Nc1ccc2c(c1)OCCCO2 10088851 CJSGCMHMTYHVEH-SFHVURJKSA-N 352.434 3.624 0 40 FHAB CC1CCN(C(=O)C2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)CC1 58192860 LRSMCVGMHYUYMJ-UHFFFAOYSA-N 356.510 3.921 0 40 FHAB Cc1ccc(-n2ccnc2S[C@@H](C)C(=O)NCc2ccco2)cc1C 10271157 XEGZNZBHVDNEDA-HNNXBMFYSA-N 355.463 3.879 0 40 FHAB CCN(Cc1ccccc1)C(=O)CS(=O)(=O)c1ccc(C(C)C)cc1 36392750 AKCIRJJNQGHBQL-UHFFFAOYSA-N 359.491 3.632 0 40 FHAB Cc1nc2ccc(NC(=O)[C@H](C)NC(=O)OCc3ccccc3)cc2s1 10784444 ZIOLVPVDLMBNIV-LBPRGKRZSA-N 369.446 3.858 0 40 FHAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)c1cccc(C)c1 2315711 CYUKGZOCXYMHGQ-UHFFFAOYSA-N 352.390 3.914 0 40 FHAB CC(=O)Nc1cc(NC(=O)c2ccc(Br)cc2F)ccc1F 12777360 XDCVWFBINHMCQM-UHFFFAOYSA-N 369.165 3.938 0 40 FHAB COc1cc(C)ccc1Oc1ccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)cn1 48239906 IFLPWIRYBINGDC-HUUCEWRRSA-N 371.437 3.832 0 40 FHAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccccn1 3406914 HZZMEKAEAJWBKT-UHFFFAOYSA-N 366.248 3.879 0 40 FHAB COc1cccc(Cn2nccc2NC(=O)c2ccc(Cl)cc2)c1OC 13005972 RTSCDEQCDIAWMC-UHFFFAOYSA-N 371.824 3.854 0 40 FHAB CC(C)OC(=O)[C@@H](C)N(C(=S)NC1CC1)c1ccc(F)c(Cl)c1 13691180 NOHQNOXAFZOODN-SNVBAGLBSA-N 358.866 3.663 0 40 FHAB COc1cccc(-n2cnnc2S[C@H](C)C(=O)c2ccc(F)cc2)c1 6163032 COMWPLIJSZUTRT-GFCCVEGCSA-N 357.410 3.779 0 40 FHAB O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(F)c(F)c1F 14095285 XCFXOXJOQCJBSR-UHFFFAOYSA-N 353.325 3.787 0 40 FHAB O=C(CCc1ccco1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 14129200 FAUGGHOVHOSHNN-UHFFFAOYSA-N 356.403 3.746 0 40 FHAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1c(Cl)cccc1Cl 14238681 WGOKCNKJDKTLAL-CQSZACIVSA-N 355.221 3.669 0 40 FHAB CCN(CC)C(=O)[C@H](Sc1nnc(-c2ccc[nH]2)o1)c1ccccc1 18367767 HZLYXSQVXPDCDV-OAHLLOKOSA-N 356.451 3.767 0 40 FHAB CC(C)OCCCNC(=O)COc1ccc(OCc2ccccc2)cc1 4682651 UAIHFQQYEWVBKW-UHFFFAOYSA-N 357.450 3.576 0 40 FHAB O=C(Nc1cc2c(cc1[C@H](O)c1ccccc1)OCCO2)c1cccs1 4733199 ZTCBIDBTWUSVMM-LJQANCHMSA-N 367.426 3.853 0 40 FHAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 4742718 IOBNABDAYTXSTJ-UHFFFAOYSA-N 359.234 3.617 0 40 FHAB COc1ccc(N2C(=O)/C(=C/NCCC(C)C)c3ccccc3C2=O)cc1 8560430 HBURXJKJJCGLFJ-XSFVSMFZSA-N 364.445 3.859 0 40 FHAB CC(C)c1ccc(OCC(=O)Nc2cccc(N3CCCC3=O)c2)cc1 6988553 LGZWTMBDNNASKZ-UHFFFAOYSA-N 352.434 3.954 0 40 FHAB CCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(C)c(C)c3)ccc21 8840556 MAYCMPUGDRGCCG-UHFFFAOYSA-N 372.490 3.793 0 40 FHAB Cc1ccc(C(=O)OCC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c(O)c1 7046476 MTHDHDKBNRYAOA-UHFFFAOYSA-N 369.417 3.725 0 40 FHAB CC(C)c1ccc(OCC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 15831664 ZLBSBTAMUIWPSD-LJQANCHMSA-N 356.466 3.735 0 40 FHAB COc1ccccc1NC(=O)Nc1nnc(CCc2ccccc2)s1 8766952 UPTHYAWMMKPHNV-UHFFFAOYSA-N 354.435 3.976 0 40 FHAB CC(C)n1ncc2c(C(=O)NC3=NCCS3)cc(-c3ccccc3)nc21 7717451 CTAQSAQZLIBYNA-UHFFFAOYSA-N 365.462 3.512 0 40 FHAB COc1cccc(N2CCN(C(=O)c3oc4c(F)cccc4c3C)CC2)c1 7778279 YSAFXLKTZDCELF-UHFFFAOYSA-N 368.408 3.851 0 40 FHAB COc1cccc(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)c1 8776332 QZOMFDCIVOTWOI-UHFFFAOYSA-N 373.459 3.647 0 40 FHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1c(C)noc1C 7987022 GWDUUTUPVYZZBV-UHFFFAOYSA-N 372.343 3.517 0 40 FHAB COC(=O)c1cc(CN(C)C(=O)Cc2ccc(Cl)cc2Cl)oc1C 8852530 HIHFQQQDJSUJKD-UHFFFAOYSA-N 370.232 3.883 0 40 FHAB CN1CC[C@@H](Sc2ncnc3scc(-c4ccc(F)cc4)c23)C1=O 83877492 YPMYGRRMXLXSKQ-CYBMUJFWSA-N 359.451 3.820 0 40 FHAB C[C@H](NC(=O)c1n[nH]nc1Nc1ccc(Cl)cc1)c1ccc(F)cc1 67283660 CMZAQDGOEOJQHO-JTQLQIEISA-N 359.792 3.832 0 40 FHAB COc1ccccc1N(Cc1cc(=O)[nH]c2ccccc12)C(=O)C(C)C 9159598 HGPQQYOFGMHGOT-UHFFFAOYSA-N 350.418 3.726 0 40 FHAB O=C(O)c1ccccc1[C@H]1c2sc(=O)[nH]c2S[C@@H]2[C@@H]3CC[C@@H](C3)[C@H]12 170612415 CVZSTKXZJGBVGW-ZZEHVWSGSA-N 359.472 3.787 0 40 FHAB CC(C)n1cnnc1S[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl 9212739 XAWNHHCYUGNIGR-QMMMGPOBSA-N 360.270 3.680 0 40 FHAB O=C(Nc1nc2ccccc2[nH]1)c1c[nH]c(=S)n1-c1ccc(F)cc1 9338045 NWVXRPMZBRBLNU-UHFFFAOYSA-N 353.382 3.803 0 40 FHAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cccc(Br)c1 9746517 QZFUMIFRCCRZGV-UHFFFAOYSA-N 359.223 3.594 0 40 FHAB C[C@@H](NS(=O)(=O)c1c[nH]c2nccc(Cl)c12)c1ccc(Cl)cc1 89904771 WMDVOQLXHAHXEM-SECBINFHSA-N 370.261 3.909 0 40 FHAB CC[C@@](C)(NC(=O)Nc1cnn(Cc2cccnc2)c1)c1nc(C)cs1 72309678 PJERVSLFFSHABI-GOSISDBHSA-N 370.482 3.538 0 40 FHAB O=C(O)c1cccc(C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c1 95445263 ZLIYUBUAWQNTGT-GOSISDBHSA-N 373.836 3.624 0 40 FHAB CN(c1ccccc1C(=O)Nc1c(Cl)cccc1Cl)S(C)(=O)=O 408579226 DWWCQHCPPSYIPM-UHFFFAOYSA-N 373.261 3.642 0 40 FHAB CC(C)CC[C@@H]1CCCCN1c1ncnc2c1c(Br)nn2C 79107759 LEOVZKRHQKEQEY-LBPRGKRZSA-N 366.307 3.921 0 40 FHAB O=C(N[C@H](c1ccc2c(c1)CCCC2)c1cccs1)c1ccc(=O)[nH]c1 24658903 MMZSITLSVIUBNQ-HXUWFJFHSA-N 364.470 3.835 0 40 FHAB C[C@@H](NCc1cccc(N2CCOCC2)n1)c1ccc(-c2ccncc2)cc1 547508376 JXBKJHUPEYIDEE-GOSISDBHSA-N 374.488 3.831 0 40 FHAB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)C(C)C)ccc3O)oc2c1 408627701 NDKAWAGFZLBLNT-UHFFFAOYSA-N 369.446 3.978 0 40 FHAB Cc1ccc([C@@H](C)NC(=O)c2cc(-c3ccccc3)nc3ncnn23)c(C)c1 36618888 UBPVRTOSXWOSAL-MRXNPFEDSA-N 371.444 3.899 0 40 FHAB Fc1ccc(CN2CCCC[C@H]2c2ccnc(Nc3cnccn3)n2)cc1 72377421 RWIAZUQIMCBBTP-SFHVURJKSA-N 364.428 3.877 0 40 FHAB Cc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)Cc3ccncc3)C2)c1 72358832 AWODGOPFBCQFDS-FQEVSTJZSA-N 372.472 3.796 0 40 FHAB COc1cccc2cc(C(=O)NCc3cccc(CN4CCCC4)c3)oc12 73920879 RPIHRUSGOHYGII-UHFFFAOYSA-N 364.445 3.967 0 40 FHAB CC(C)Oc1ccc(NC(=O)C2(C)COC(c3ccc(F)cc3)OC2)cn1 225919811 CJCUYZIASGXSGI-UHFFFAOYSA-N 374.412 3.698 0 40 FHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1cccc(OC)c1 224445230 AZKICZIKFGLJCQ-GOSISDBHSA-N 363.841 3.701 0 40 FHAB COc1ccc(CCCNC(=O)c2ccc3c(c2)CCCC3)cc1OC 225632395 ZZWIIYVCHCNPIT-UHFFFAOYSA-N 353.462 3.945 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)NCCOc1ccc2ccccc2c1 223626552 WQVIIIJJVOGXLJ-INIZCTEOSA-N 365.429 3.811 0 40 FHAB CCc1ccc(CC)c(CNC(=O)c2ccc(CN3CCOCC3)cc2)c1 223290103 MTVXCKWIQOAPCP-UHFFFAOYSA-N 366.505 3.574 0 40 FHAB CN(C)[C@@H](CNC(=O)/C=C/c1cccs1)c1cn(C)c2ccccc12 75149163 IJVLBLVAEDAPIY-VYENPZKTSA-N 353.491 3.672 0 40 FHAB COCCNC(=O)c1ccc(Nc2cc(Cl)cc(Cl)c2)c(N)c1 225428842 QEAXLPLJRPNVLN-UHFFFAOYSA-N 354.237 3.695 0 40 FHAB CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(Br)cs1 222724269 WYZVUQNOGLNBEI-VXGBXAGGSA-N 354.298 3.508 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc(Cl)cc1 224130994 DWCYMOBCGTWNPC-GFCCVEGCSA-N 354.233 3.956 0 40 FHAB O=C(CN1CCCC1)N1N=C(c2cccs2)C[C@@H]1c1cccc(F)c1 95116599 YHBIHLOBMXURAD-QGZVFWFLSA-N 357.454 3.661 0 40 FHAB Cc1nc(-n2cccc2)sc1C(=O)N1CCc2[nH]c3ccccc3c2C1 96114990 DXZMFKHRDTXYMN-UHFFFAOYSA-N 362.458 3.922 0 40 FHAB biogenic CC(C)[C@H]1CC(=O)Oc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c21 96116006 FJNQFRAWUCQLMZ-CYBMUJFWSA-N 366.369 3.920 0 40 FHAB biogenic COc1cc(CNc2ccc(C(=O)N(C)C)c(Cl)c2)c2c(c1)C[C@H](C)O2 585081081 IOIQVLQANIYHOV-LBPRGKRZSA-N 374.868 3.986 0 40 FHAB O=C(C[C@@H]1C(=O)Nc2ccccc21)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 684512768 DQROIMLQLIQVQP-HFTRVMKXSA-N 352.409 3.704 0 40 FHAB C[C@H](O)C1CCN([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 111288130 AOKHSQNQUVKHPL-YWZLYKJASA-N 356.441 3.598 0 40 FHAB CO[C@H]1CCN(c2ccc(NC(=O)CCc3ccc(C)c(F)c3)cc2)C1 96122259 UFAHFQIUNHKBMC-IBGZPJMESA-N 356.441 3.931 0 40 FHAB CCOCCO[C@H](C)C(=O)Nc1nc2ccccc2n1C1CCCCC1 48375439 VKSQXDFFYVBHSI-OAHLLOKOSA-N 359.470 3.922 0 40 FHAB CCOc1ccccc1N1CCN(c2nc(C)nc3sccc23)CC1 1163858353 MXILLIXHLBWBEE-UHFFFAOYSA-N 354.479 3.725 0 40 FHAB COc1ccccc1/C=C/C(=O)N1CCN(c2cccc(C)c2C)CC1 8025580 CCMRWVLODHVPKU-VAWYXSNFSA-N 350.462 3.674 0 40 FHAB O=C(CS[C@H]1N=C2C=CC=C[C@@H]2O1)c1ccc(Br)cc1 5944632 LBPHRMZUQIYBNE-GJZGRUSLSA-N 350.237 3.614 0 40 FHAB Cc1nc2ccc(C(=O)NCc3nc(-c4ccccc4)no3)cc2s1 12202721 BKUPTIQFKXWXRC-UHFFFAOYSA-N 350.403 3.585 0 40 FHAB CC(=O)Oc1ccc(/C=C\c2cc(OC(C)=O)cc(OC(C)=O)c2)cc1 13340991 PDAYUJSOJIMKIS-PLNGDYQASA-N 354.358 3.633 0 40 FHAB in-vitro CCOc1ccc(C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 13494893 VGAWRHPQLSXAQG-UHFFFAOYSA-N 357.797 3.719 0 40 FHAB COc1ccccc1-c1c(C)nn2c3c(nnc12)C(=O)C[C@@H](c1ccco1)C3 13639313 OXYOFBSKNKFOEN-ZDUSSCGKSA-N 374.400 3.614 0 40 FHAB CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)C1CCC1 19017451 NLTSVZFQJXDWGJ-HBMCJLEFSA-N 354.494 3.572 0 40 FHAB CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccccn2)C1 19081981 JZQPUGTZEMYQPR-FXAWDEMLSA-N 366.509 3.592 0 40 FHAB O=C(COc1ccccc1)N1CCc2onc(Nc3cccc(F)c3)c2C1 19373478 DCDRADGSQADJJO-UHFFFAOYSA-N 367.380 3.521 0 40 FHAB Cc1cc(C)cc(C2(C(=O)NCCN(C)c3ccccc3)CCOCC2)c1 19654877 RUAJAPDUQBNXKW-UHFFFAOYSA-N 366.505 3.604 0 40 FHAB Nn1cc(-c2ccccc2)nc1SCc1cn2cc(Cl)ccc2n1 4251796 WTXPBWDYLXLOMT-UHFFFAOYSA-N 355.854 3.857 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)OCc2cc(Cl)cc3c2OCOC3)c1C 4329063 SJHIIFSVLQJGBY-UHFFFAOYSA-N 363.797 3.711 0 40 FHAB O=c1c2ccccc2ncn1CC1CCN(Cc2cc(F)cc(F)c2)CC1 1888930344 KUTGYYMGBLOULF-UHFFFAOYSA-N 369.415 3.587 0 40 FHAB CC(=O)c1c(C)nc2sc(C(N)=O)c(N)c2c1-c1c[nH]c2ccccc12 1083557 XMBBBGNBAVZIAQ-UHFFFAOYSA-N 364.430 3.637 0 40 FHAB Cc1nc2sc3c(c2c2nc(-c4ccc5c(c4)OCO5)nn12)CCCC3 2443833 IDXULWHSPYBWTC-UHFFFAOYSA-N 364.430 3.922 0 40 FHAB Cc1ccsc1CN1CCC[C@](Nc2ccccc2)(C(=O)N(C)C)C1 2055751040 AYIKWDGQZULSAZ-HXUWFJFHSA-N 357.523 3.591 0 40 FHAB Cc1csc(C(=O)Nc2ccc(CC(=O)NCC(F)(F)F)cc2)c1 44035275 CZHGNEVYNPJBFD-UHFFFAOYSA-N 356.369 3.530 0 40 FHAB CC[C@@]1(C)Oc2ccc(NC(=O)c3ccc(OC)c(OC)c3OC)cc2O1 30952736 VNKRRQJKFWBIPB-FQEVSTJZSA-N 373.405 3.862 0 40 FHAB Cc1nc(C2(NC(=O)CSc3ccc4c(c3)CCC4)CCCCC2)no1 40040098 MWTRQAHWRBHJKR-UHFFFAOYSA-N 371.506 3.935 0 40 FHAB O=C1CC[C@]2(C(=O)N[C@H]3CCCc4ccccc43)Sc3ccccc3N12 40017157 YTGBLPVLJNRMEV-HRAATJIYSA-N 364.470 3.809 0 40 FHAB O=C(CCOc1cccc(Cl)c1Cl)NCc1ccc2c(c1)OCO2 40140068 HYHFZWQFDVFAOA-UHFFFAOYSA-N 368.216 3.807 0 40 FHAB C[C@H](C(=O)N[C@H](c1ccccc1)c1ccccn1)n1cnc2ccccc21 30604270 JOJIXECVGSMCBO-IIBYNOLFSA-N 356.429 3.898 0 40 FHAB CC1=CC[C@H]2C(=O)N(c3cccc(OC(=O)c4cccs4)c3)C(=O)[C@H]2C1 100394228 DZPOPIBGIOUHAJ-CVEARBPZSA-N 367.426 3.813 0 40 FHAB Cc1cc(S(=O)(=O)N(C)Cc2ccccc2N2CCCC2)c(C)s1 31071889 XRPOUGFIVWMINJ-UHFFFAOYSA-N 364.536 3.786 0 40 FHAB Cc1nc2ccc(NC(=O)c3cccc(CN4CCCC4=O)c3)cc2s1 8186011 CUPKMMWQUBWUNT-UHFFFAOYSA-N 365.458 3.979 0 40 FHAB CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cccc(Cl)c1 2484747 WOHFDSDQQHQMKR-HNNXBMFYSA-N 364.854 3.553 0 40 FHAB Cc1ccc(C)c2c1cc(C)c1nnc(SCC(=O)N3CCCCC3)n12 929679 RNEACCNYQABIFU-UHFFFAOYSA-N 368.506 3.912 0 40 FHAB O=C(CSc1nnc(-c2cccc(O)c2)o1)Nc1cccc(Cl)c1 1224341 XYECREXBDOTATR-UHFFFAOYSA-N 361.810 3.826 0 40 FHAB COc1cccc(CNC(=O)c2ccccc2-c2ccccc2C(=O)O)c1 1328124 HAHWZMRQVHUTIZ-UHFFFAOYSA-N 361.397 3.990 0 40 FHAB CCCCOc1ccc(S(=O)(=O)n2nnc3ccccc32)cc1C(C)C 11566002 BRYDFHMXBDEQEE-UHFFFAOYSA-N 373.478 3.971 0 40 FHAB C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 4063409 REJBTXQSIQFRRE-XZBQRBHSSA-N 372.505 3.813 0 40 FHAB biogenic CCCCOc1ccc(C(=O)OCC(=O)c2ccc(OC(C)=O)cc2)cc1 6651438 XDODVNGTMMXHAU-UHFFFAOYSA-N 370.401 3.831 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)Cc1cccc(F)c1 7791492 DFUHXXBCYMLWOV-UHFFFAOYSA-N 366.440 3.699 0 40 FHAB Cc1ccc(OCCSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 2642616 SUXAKYYXDWDKRU-UHFFFAOYSA-N 356.403 3.945 0 40 FHAB Cc1cccc(NC(=O)NC(=O)CSc2nc3ccccc3o2)c1C 8526528 MJGRPCWYDBCKOC-UHFFFAOYSA-N 355.419 3.885 0 40 FHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc2[nH]c(C)c(C)c2c1 9643094 LIKOBABLODUJBV-UHFFFAOYSA-N 374.444 3.684 0 40 FHAB Cc1nc(C)c(-c2nnc(SCc3noc(C(C)(C)C)n3)o2)s1 37170763 QRMGTFNSOBCJNR-UHFFFAOYSA-N 351.457 3.783 0 40 FHAB Cc1ccc(C(=O)C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 52773436 VNWAXQNBKHLOOA-UHFFFAOYSA-N 366.398 3.669 0 40 FHAB COc1ccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1OC 20143220 MMBWDCAMPSMMMW-UHFFFAOYSA-N 353.374 3.708 0 40 FHAB O=C(NCCC(=O)N1CCCCC1)c1[nH]c2ccc(Cl)cc2c1Cl 58208773 XTRUPXXRSVAYOQ-UHFFFAOYSA-N 368.264 3.607 0 40 FHAB CSc1ccc(CN(C)C(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 21915003 LCDQBCXCBQMYGE-UHFFFAOYSA-N 354.475 3.590 0 40 FHAB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)N[C@@H]1CCCc2ccccc21 22174082 MODFONAOEMOYPF-XHDPSFHLSA-N 374.535 3.787 0 40 FHAB CC(C)COc1cccc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)c1 22840377 YTXODYSPMDCQPS-OAQYLSRUSA-N 352.478 3.850 0 40 FHAB Cn1nc(-c2cccs2)cc1C(=O)NCCc1c[nH]c2ccccc12 42384127 VHWZNSZXRPKKSK-UHFFFAOYSA-N 350.447 3.602 0 40 FHAB COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccccc3)C[C@@H]21 934798 GVASVUVYSBNTIP-IBGZPJMESA-N 363.461 3.661 0 40 FHAB COc1ccccc1C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1 955503 VXQZRZUFTSGCDL-UHFFFAOYSA-N 353.296 3.510 0 40 FHAB CSc1ccc(C(=O)COC(=O)c2ccc(C)cc2)cc1NC(C)=O 12568283 BWWSCSUCPMHLLP-UHFFFAOYSA-N 357.431 3.715 0 40 FHAB Cc1cccc(-n2ncc3c(NCc4ccc5c(c4)OCCO5)ncnc32)c1 27816360 KEZHXUVPGGBABO-UHFFFAOYSA-N 373.416 3.507 0 40 FHAB CNc1c(NS(=O)(=O)c2ccc(C(C)C)cc2)c(=O)oc2ccccc12 101094013 OESOHYGMDVVAKJ-UHFFFAOYSA-N 372.446 3.759 0 40 FHAB Clc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3cccnc3)n2)cc1 67898544 AMBNEVKRUKZFRY-SFHVURJKSA-N 354.841 3.699 0 40 FHAB biogenic,in-vitro O=C(NC1CCCCCCC1)N1CCCN(C(=O)c2ccsc2)CC1 56370897 YQKBFPZBXHJFFA-UHFFFAOYSA-N 363.527 3.719 0 40 FHAB CCc1c(C(=O)N2C[C@H](C)OC[C@@H]2c2ccccc2)[nH]c(C)c1C(C)=O 173731977 PADVKEBOQFZANH-SCLBCKFNSA-N 354.450 3.690 0 40 FHAB COc1cc(CNC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC 8361562 IPFBZOFNPHNVQG-UHFFFAOYSA-N 355.434 3.521 0 40 FHAB C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(CN2CCCC2)cc1 24114998 NCQJYGPGIHTHPB-INIZCTEOSA-N 356.441 3.505 0 40 FHAB Fc1ccc(-n2ncc3c(NCCOc4ccccc4F)ncnc32)cc1 12759680 QZLPKDQMEFEZOI-UHFFFAOYSA-N 367.359 3.585 0 40 FHAB O=C(CSc1ncn[nH]1)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 58246601 UHHNZSQIKLCRMH-INIZCTEOSA-N 372.881 3.650 0 40 FHAB Cc1ccc([C@@H](CNC(=O)COc2cccc(C)c2)N2CCCC2)cc1 27794439 AJKBFQVPMLXCAV-OAQYLSRUSA-N 352.478 3.636 0 40 FHAB CC(=O)NCCc1ccc(-c2csc(NCC(F)(F)F)n2)cc1F 58358083 MEPVGHGVLMANQZ-UHFFFAOYSA-N 361.364 3.602 0 40 FHAB CCOc1cc(/C=C/c2ncc(C(=O)O)s2)cc(Br)c1O 58414110 ZNWFRPPYTSCKJT-ONEGZZNKSA-N 370.224 3.879 0 40 FHAB CCCCCNC(=O)c1cn(CC)c2ccc(C(F)(F)F)cc2c1=O 22236940 GSBKQIMIDROJJK-UHFFFAOYSA-N 354.372 3.960 0 40 FHAB O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 12909117 PSVOFRBZZSILGN-UHFFFAOYSA-N 363.244 3.592 0 40 FHAB COC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)sc2c1CCCCC2 3766193 KHEQVKDGYAHNML-UHFFFAOYSA-N 373.474 3.993 0 40 FHAB O=C(COC1CCCCC1)NC1CCN(c2nc3ccccc3s2)CC1 64457936 PAYGVIJEIIQVJO-UHFFFAOYSA-N 373.522 3.731 0 40 FHAB CC1CCC(NC(=O)COc2ccc(NC(=O)c3ccco3)cc2)CC1 39475811 TUTYHUKSFLLDKZ-UHFFFAOYSA-N 356.422 3.606 0 40 FHAB CC(C)COC(=O)c1ccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1 408732651 XBWLJUMMYRSAPO-WQRHYEAKSA-N 367.376 3.983 0 40 FHAB CC(C)Cc1nnc(NC(=O)CCC(=O)NC2CCCCCCC2)s1 5137838 WATDSFJNQUKJBZ-UHFFFAOYSA-N 366.531 3.684 0 40 FHAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(F)cc1F 6247933 JCUNDBZHDQEFEN-UHFFFAOYSA-N 352.768 3.707 0 40 FHAB CN1CCN(c2ccc(NC(=O)c3csc4c3CCCC4)cc2)CC1 5345999 WBMROGQZWUSQJT-UHFFFAOYSA-N 355.507 3.631 0 40 FHAB C[C@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1cc(Cl)cc2c1OCOC2 65562525 UBZDVJPXAZTFDY-SJCJKPOMSA-N 372.852 3.574 0 40 FHAB COc1ccc(CNC(=O)CSc2nc3ccc(Cl)cc3o2)cc1 6400100 KUGGWRIHXORVLU-UHFFFAOYSA-N 362.838 3.898 0 40 FHAB CCCN(C(=O)CSc1nnc(-c2ccncc2)n1C)C1=CCCCC1 14184955 JEMIFTGJRUGTOB-UHFFFAOYSA-N 371.510 3.666 0 40 FHAB C[C@H](OC(=O)c1cc(Br)c[nH]1)C(=O)c1c[nH]c2ccccc12 14184450 XHEOGXFJEXDAQX-VIFPVBQESA-N 361.195 3.687 0 40 FHAB Cc1ccc(S(=O)(=O)Oc2cc(C)c3cnn(C4CCCC4)c3n2)cc1 8728687 SYRURJRNCVMQBQ-UHFFFAOYSA-N 371.462 3.931 0 40 FHAB Cc1cc(C)c(NC(=O)COC(=O)COc2ccc(Cl)cc2)c(C)c1 6558568 LTIXIJREBZZPRD-UHFFFAOYSA-N 361.825 3.826 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(COc3cccc(C)c3)o2)cc1 4679607 MFNQMGCXCPWMAK-UHFFFAOYSA-N 369.446 3.996 0 40 FHAB CC(=O)c1ccc(O[C@H](C)C(=O)NCCCCOc2ccccc2)cc1 8884373 WOBJIFZQHLSRQL-QGZVFWFLSA-N 355.434 3.632 0 40 FHAB Cc1ccc(-n2cc(C(=O)NCc3cccc(C(F)(F)F)c3)nn2)cc1C 67261904 WLWCYQVSGGZVIU-UHFFFAOYSA-N 374.366 3.833 0 40 FHAB COCc1c(C(=O)Nc2cccc(N3CCCC3=O)c2)oc2ccccc12 7491921 CAFMXEWVYHMNEP-UHFFFAOYSA-N 364.401 3.958 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1cccc(Cl)c1 7952440 PQLSHJLXTNMGQK-IBGZPJMESA-N 354.837 3.920 0 40 FHAB COc1ccc(CC(=O)N[C@H](c2cccs2)C(C)C)c(OC)c1OC 8013337 ABKGVFNDBPTNPF-KRWDZBQOSA-N 363.479 3.830 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)CN(C)C[C@H]1COc2ccccc2O1 16628920 BDQPIJBBQVTHKG-KRWDZBQOSA-N 368.477 3.829 0 40 FHAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccccc1-c1ccccc1)CS2 9499926 XFBSCXCUHAQAMM-YLJYHZDGSA-N 352.459 3.746 0 40 FHAB O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc2c(c1)OCO2 9426480 DBHNENRTQZBDOE-UHFFFAOYSA-N 366.417 3.730 0 40 FHAB O=C(CCn1ccc2ccccc21)Nc1cccc(N2CCCNC2=O)c1 72301387 FMAOAHDSKDXSMW-UHFFFAOYSA-N 362.433 3.590 0 40 FHAB CC(=O)N(C)c1cccc(N[C@@H]2CCCN(c3ccccc3Cl)C2=O)c1 73413041 XIEJZBQHRRMYOF-GOSISDBHSA-N 371.868 3.930 0 40 FHAB CCC[C@@H](N[C@@H](C)Cc1ccc(OC)c(OC)c1)C(=O)OC(C)(C)C 95943444 CMENPTNVFKAYDT-GOEBONIOSA-N 351.487 3.735 0 40 FHAB COc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCCCO3)c(OC)c1 9954839 PGWOQCDWHBSMDP-WEVVVXLNSA-N 355.390 3.517 0 40 FHAB CN(C)CCN[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 22038831 WKJNSQMRGYJUCZ-QGZVFWFLSA-N 365.399 3.536 0 40 FHAB CCOc1cc(C)c(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1C(C)C 409132996 PXQMXIPIDRBSFM-OVCLIPMQSA-N 363.435 3.638 0 40 FHAB Cc1nnc2n1N1C(=CS[C@H]1c1ccc(Br)cc1)S2 32104956 TWPHXFIUAAATHC-NSHDSACASA-N 353.270 3.637 0 40 FHAB O=C(O)COc1cccc(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)c1 540668544 XSFHYMOBKXFXSC-HXUWFJFHSA-N 371.408 3.950 0 40 FHAB O=C(CCSc1ccccc1)NC[C@@](O)(c1ccccc1)C(F)(F)F 70762329 NXPVQOAQGLBWHD-QGZVFWFLSA-N 369.408 3.735 0 40 FHAB Cc1cccc(Cl)c1S(=O)(=O)Nc1nc(C2CCOCC2)cs1 560919079 HDFGNOPNHXUSDF-UHFFFAOYSA-N 372.899 3.800 0 40 FHAB O=C(NCCCc1ccccc1Cl)c1ccc(Cn2ccnc2)cc1 44906299 GXFFLUSWWKZGEL-UHFFFAOYSA-N 353.853 3.947 0 40 FHAB CCS(=O)(=O)Nc1ccc(C(=O)NCc2cccc3ccccc23)cc1 225963736 ZROYYNBMMWZPHO-UHFFFAOYSA-N 368.458 3.531 0 40 FHAB Fc1ccc(CNC(=S)Nc2ccc(Sc3ncccn3)nc2)cc1 223948546 OJMSMVNNMHAMRS-UHFFFAOYSA-N 371.466 3.649 0 40 FHAB Cc1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 225467491 UIXIJEPQXNCKOS-LJQANCHMSA-N 366.505 3.870 0 40 FHAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCOC)nc1 225908107 YLEHECIKCUSSRC-LJQANCHMSA-N 352.475 3.811 0 40 FHAB CC(C)c1nc2cc(NC(=O)Nc3cc(C(=O)N(C)C)ccn3)ccc2o1 567227323 KTDDIISIMZUALM-UHFFFAOYSA-N 367.409 3.692 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 224734153 SUWIDBOWMPVMQI-IBGZPJMESA-N 366.505 3.789 0 40 FHAB CCOC(=O)c1cccc(NC(=S)NCCSC(C)(C)C)c1C 225351732 WMRGERJHJZWUNK-UHFFFAOYSA-N 354.541 3.990 0 40 FHAB O=C(CN1CCCCC1=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 97219547 QLVMDWORDCITGJ-QFIPXVFZSA-N 362.429 3.651 0 40 FHAB CNC[C@H]1CC[C@H](c2cc(CN(C)Cc3ccccc3OC)n(C)n2)CC1 257329545 XKKBWNQHNUYXCZ-IYARVYRRSA-N 370.541 3.554 0 40 FHAB Cc1csc(C2(NC(=O)c3csc(-c4cnn(C)c4)n3)CCCC2)n1 602714831 GVNODEQNFLNOBB-UHFFFAOYSA-N 373.507 3.508 0 40 FHAB CN(C)Cc1cccc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)n1 257270079 MSRMNTJJADPYLR-KRWDZBQOSA-N 355.507 3.671 0 40 FHAB Cc1noc(C)c1-c1cc(C[C@H]2CCCN(C(=O)C(C)C)CC2)ncn1 257205352 AYQQLRIQKCJLRT-INIZCTEOSA-N 356.470 3.576 0 40 FHAB O=C([C@@H]1CSC[C@H]1c1ccccc1)N1CCO[C@@H](Cc2ccccc2)C1 651665812 HKXPACXEBUCEML-PCCBWWKXSA-N 367.514 3.603 0 40 FHAB COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)CCC(=O)O)c1 668314624 UJSXETMEIXUBGM-WIYYLYMNSA-N 353.418 3.617 0 40 FHAB Cc1noc(C)c1CN(C)C(=O)COc1ccc2oc3c(c2c1)CCCC3 48165571 GIDZXTCGRKRUHY-UHFFFAOYSA-N 368.433 3.954 0 40 FHAB CC(C)Oc1ncc(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)cc1Cl 55178684 JJXZBQBBVPKNPA-UHFFFAOYSA-N 368.220 3.527 0 40 FHAB O=C(COc1ccc(C(F)(F)F)cn1)N[C@H]1CCCc2ccccc21 5694308 NGRAUDJLCLGBLU-HNNXBMFYSA-N 350.340 3.673 0 40 FHAB C[C@@H](NC(=O)c1cc2c([nH]c1=O)CCCCC2)c1ccc2c(c1)CCC2 12194911 BVVJEFZNNBAOGW-CQSZACIVSA-N 350.462 3.624 0 40 FHAB CCc1ccccc1N1C(=O)/C(=C\c2cccc(OC)c2OC)NC1=S 15282311 JQVZMLCHOGBPKU-NTCAYCPXSA-N 368.458 3.528 0 40 FHAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccccc1Cl 17975143 MXTNWLLPOPGSCK-UHFFFAOYSA-N 367.232 3.713 0 40 FHAB CC(C)Cc1cc(C(=O)N[C@H](C)c2cc3cc(Cl)ccc3o2)nc(=O)[nH]1 19447479 NUGFYMQVCQQWTL-LLVKDONJSA-N 373.840 3.859 0 40 FHAB C[C@H]1Cc2cc([C@@H](O)CN(C)Cc3ccccc3)ccc2N1C(=O)C1CC1 19497833 DJGIJPOUZSNHIL-AOMKIAJQSA-N 364.489 3.540 0 40 FHAB COc1ccc(/C=C/C(=O)NCc2ccc(CN3CCCC3)cc2)cc1 8406290 GQVJOADFBSQQIM-JLHYYAGUSA-N 350.462 3.621 0 40 FHAB CC(C)(C)C(=O)NCCn1nc(-c2cccnc2)cc1-c1cccs1 19082174 TUACFBFKANSWNE-UHFFFAOYSA-N 354.479 3.836 0 40 FHAB COc1cccc([C@H]2CN(Cc3cccc(C(=O)O)c3Cl)CCO2)c1 572168925 QSOSSLTTZQOBLT-QGZVFWFLSA-N 361.825 3.620 0 40 FHAB COc1ccc(C(=O)NC(=O)CSc2ccc3ccccc3c2)cc1 10439926 NMZOSYJZJZZJJO-UHFFFAOYSA-N 351.427 3.897 0 40 FHAB Cc1noc(C)c1CN1CCC[C@@H](N(C)c2ncccc2C(F)(F)F)C1 1889102925 FGNUTJNXSUXVOV-CQSZACIVSA-N 368.403 3.806 0 40 FHAB CCCc1ccc([C@@]2(C)NC(=O)N(C[C@@H]3CC3(Cl)Cl)C2=O)cc1 22473616 QIBLENWPAUYSGD-XJKSGUPXSA-N 355.265 3.600 0 40 FHAB Cc1cccc2sc(N3CC[C@@H](COc4ccc5nccn5n4)C3)nc12 2087066785 CLRBZMVNZFPLQR-CQSZACIVSA-N 365.462 3.553 0 40 FHAB COc1ccc(-c2nn3c(-c4ccc(OC)c(OC)c4)nnc3s2)cc1 2233647 IVWNFHHBFFUSFN-UHFFFAOYSA-N 368.418 3.546 0 40 FHAB Cc1ccc(C)c(CSC2=NCCN2C(=O)COc2ccccc2)c1 4120326 UZXZANNVSOKVFV-UHFFFAOYSA-N 354.475 3.814 0 40 FHAB Cc1ccc(N2C[C@H](CNC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 9040400 LMGZLAGVVVJIOK-AWEZNQCLSA-N 357.841 3.823 0 40 FHAB Cc1cccc(NC(=O)Nc2nc(CC(=O)NCc3ccco3)cs2)c1 9625512 QXVOHCWLMCKAOS-UHFFFAOYSA-N 370.434 3.547 0 40 FHAB COc1ccc(-c2ncnc3c2CN(C(=O)[C@]2(C)CC=CCC2)CC3)cc1 2055771694 RCOCSFYOMHQFGU-JOCHJYFZSA-N 363.461 3.783 0 40 FHAB C[C@]1(C(=O)N2CCC3(CC2)CO[C@@H](COc2ccccn2)C3)CC=CCC1 2055750598 JBDUGWSBZAHTDB-NQIIRXRSSA-N 370.493 3.605 0 40 FHAB O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1c(F)cccc1Cl 70639944 BDIJCXHTCZSFBA-CYBMUJFWSA-N 361.722 3.961 0 40 FHAB COc1ccc2oc(=O)c(-c3nc(-c4ccc(OC)c(F)c4)no3)cc2c1 12878127 FASPGHJLCFALOA-UHFFFAOYSA-N 368.320 3.666 0 40 FHAB Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCCc2cc(C(C)C)ccc21 40090494 MVGNABRZUDKCDL-UHFFFAOYSA-N 365.433 3.551 0 40 FHAB C[C@@H](N[C@@H](Cc1ccccc1)c1ccccc1)C(=O)NC(=O)NC(C)(C)C 40002631 ZZRCCBMZLYLCCO-APWZRJJASA-N 367.493 3.573 0 40 FHAB Cn1c(SCCOc2ccc(Cl)cc2)nc2sccc2c1=O 28625282 GQLFSPYOLOHNNP-UHFFFAOYSA-N 352.868 3.820 0 40 FHAB COC(=O)c1ccc2c(=O)n(-c3ccccc3)c(SC(C)C)nc2c1 2427183 RTUWTIPCTVLXMH-UHFFFAOYSA-N 354.431 3.673 0 40 FHAB O=C(NC[C@H](O)c1ccc(F)c(F)c1)c1cc2c(s1)CCCCC2 31299251 NVEIQYIZPDTOEO-HNNXBMFYSA-N 351.418 3.759 0 40 FHAB CCOc1ccc(NC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1OC 100694680 XGRZIBUVHUIMCF-VKFLQFAXSA-N 359.466 3.754 0 40 FHAB CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2ccccc2F)NC(=S)N1 1294979 RUXYBATYLPRIHU-SFHVURJKSA-N 369.465 3.874 0 40 FHAB O=C(O)C[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1436072 NOVFSLBJPZLTLZ-AWEZNQCLSA-N 351.402 3.732 0 40 FHAB CCn1nc(C(=O)Nc2ccc3nc(C)sc3c2)c2ccccc2c1=O 2623811 NGYAKBHCYOLXTI-UHFFFAOYSA-N 364.430 3.587 0 40 FHAB Cc1n[nH]c(SCC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)n1 11659400 WRBVBPDEUIKOLV-UHFFFAOYSA-N 373.507 3.893 0 40 FHAB CC(C)(CCC(=O)OC(C)(C)C)NC(=O)Nc1cccc(-c2nnco2)c1 75109268 PSOXXXVMWBOLBC-UHFFFAOYSA-N 374.441 3.759 0 40 FHAB Cc1cccc(C(=O)Nc2sc(C)c(-c3ccccc3)c2C(N)=O)n1 32776940 IPZPFJADQKEPJT-UHFFFAOYSA-N 351.431 3.778 0 40 FHAB CCc1n[nH]c(S[C@@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)n1 21588311 ULGBHOWITBSUNW-QMMMGPOBSA-N 373.463 3.778 0 40 FHAB COCc1cccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)c1 21552896 FKCYVBASEVNMIA-UHFFFAOYSA-N 362.433 3.629 0 40 FHAB Cc1cccc(C(=O)NCc2ccc(C(=O)N3CCCC[C@H]3C)cc2)c1O 32914588 KQFPQQFYVBNJDT-MRXNPFEDSA-N 366.461 3.645 0 40 FHAB CC[C@H](C)[C@@H](NC(N)=O)C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 32978395 DDJWTLULXXXMCV-YZVOILCLSA-N 353.466 3.614 0 40 FHAB C[C@H]1C=CC[C@H]2C(=O)N(c3cccc(NC(=O)c4ccccc4)c3)C(=O)[C@H]12 102601718 IWJIFGQXFPVUSP-GDIGMMSISA-N 360.413 3.641 0 40 FHAB CC(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc3oc(C(C)C)nc3c2)C1 52642054 WIIRFVJMGCJXHL-AWEZNQCLSA-N 357.454 3.784 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Sc1nnc2n1CCCCC2 9608777 SPUAMYVYVVHDHM-HZPDHXFCSA-N 372.538 3.623 0 40 FHAB Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc3c(c(=O)[nH]2)CCCC3)c(C)c1 11903502 AYDUINYPWNIQKL-AWEZNQCLSA-N 371.506 3.693 0 40 FHAB CCOC(=O)N1CCN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1 16180993 OQQHLEIOHQLVCF-UHFFFAOYSA-N 372.396 3.532 0 40 FHAB Nc1nc(Cl)cc(NCc2ccc(-c3ccc4c(c3)CCO4)cc2)n1 60875053 MRLOJMVARCUWGW-UHFFFAOYSA-N 352.825 3.926 0 40 FHAB COc1ccccc1N[C@@H](NC(=O)c1ccccn1)C(Cl)(Cl)Cl 836842 TYIFLICXKFAKRB-AWEZNQCLSA-N 374.655 3.628 0 40 FHAB O=C(CNCc1ccco1)Nc1ncc(Cc2ccccc2Cl)s1 2887506 DUIXTZWECZUKJD-UHFFFAOYSA-N 361.854 3.709 0 40 FHAB Cc1c(C(=O)Nc2cccc(N3CCNC3=O)c2)oc2ccc(F)cc12 47041089 BPERHQSPCQMFCS-UHFFFAOYSA-N 353.353 3.662 0 40 FHAB COc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1OC(C)=O 973722 XNIVRITYHWFQQR-DHDCSXOGSA-N 371.776 3.618 0 40 FHAB CC1CCC2(CC1)NC(=O)N(CN(C)Cc1ccc(C(C)C)cc1)C2=O 23996038 CLPDMAVXAPSZLP-UHFFFAOYSA-N 357.498 3.700 0 40 FHAB O=C(Nc1nc2c(s1)CCC2)c1cc(O)c(OCc2ccccc2)cn1 61719123 KIHGQUFOMMXMFF-UHFFFAOYSA-N 367.430 3.564 0 40 FHAB C[C@]12CC3CC(C(=O)N4CCN(Cc5ccco5)CC4)(C1)C[C@](C)(C3)C2 101455320 QLMDOEDJGCQYDW-YLFWVWAESA-N 356.510 3.920 0 40 FHAB Cc1cccc(N2C[C@H](C(=O)NC[C@@H](C)c3ccccc3)CC2=O)c1C 23444682 GRLDDMHKLSNXBJ-VQIMIIECSA-N 350.462 3.576 0 40 FHAB C[C@@H](NC(=O)c1cc2c(Cl)cccc2[nH]1)c1ccc(-n2cncn2)cc1 24982831 ZRMRYVFZVDKABI-GFCCVEGCSA-N 365.824 3.893 0 40 FHAB CCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCC1CCCCC1 1467866 PGVGFLSWLRPGFG-IBGZPJMESA-N 372.465 3.837 0 40 FHAB COc1cc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc(OC)c1OC 53387939 WABXTLQCJLGHQR-CYBMUJFWSA-N 355.434 3.692 0 40 FHAB CCCn1c(NC(=O)CCCNC(=O)c2ccsc2)nc2ccccc21 12506120 ILPCCHBKIANBSM-UHFFFAOYSA-N 370.478 3.657 0 40 FHAB Cn1cc(C(=O)NCCc2ccccc2F)c(-c2ccccc2Cl)n1 108678426 VYRWCJWEAQNDSQ-UHFFFAOYSA-N 357.816 3.852 0 40 FHAB O=C(N1CCC[C@H](c2nnc3ccccn23)C1)C1(c2ccccc2)CCC1 27073833 LBEQZDLDFHTAHS-KRWDZBQOSA-N 360.461 3.557 0 40 FHAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)ccc1O 2091112 CEQARSOFZVXYPY-LJQANCHMSA-N 350.374 3.761 0 40 FHAB biogenic CCn1c(CN(C)C(=O)C(=O)c2c(C)[nH]c3ccccc23)nc2ccccc21 58192725 WFSXCYMHHFXNFG-UHFFFAOYSA-N 374.444 3.687 0 40 FHAB Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)N3CCCCC3)c12 58172240 ZZXNWDMAGLPLFQ-UHFFFAOYSA-N 361.449 3.627 0 40 FHAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(O)c(C(=O)O)c1 20141342 METZGTVJEBYNCI-UHFFFAOYSA-N 356.161 3.658 0 40 FHAB O=C1/C(=C\c2nc3ccccc3[nH]2)SC(=S)N1c1cccc(O)c1 2226812 RCAUALUFJFUFBY-NTEUORMPSA-N 353.428 3.674 0 40 FHAB COc1ccccc1[C@H](CNC(=O)c1cc(C)nc2ccccc12)N(C)C 3355010 LZQCSZBEGRZREP-FQEVSTJZSA-N 363.461 3.585 0 40 FHAB C[C@H](NC(=O)c1ccc(I)cc1)c1ccccc1F 12775274 RAHYGGVGNGGWTN-JTQLQIEISA-N 369.177 3.921 0 40 FHAB COC(=O)[C@H](C)NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 12813410 PJHTXVXQDDYGEL-LBPRGKRZSA-N 363.866 3.924 0 40 FHAB Cc1cc(C)c2c(n1)oc1c(N3CCN(Cc4ccccc4)CC3)ncnc12 61966168 RZLPRSOXWBWQGD-UHFFFAOYSA-N 373.460 3.710 0 40 FHAB Cc1nnc(CSc2nnc(-c3cccs3)n2-c2ccccc2)o1 8089155 OCLMLJIWJWCMME-UHFFFAOYSA-N 355.448 3.980 0 40 FHAB Cc1ccc(N(C(=O)Nc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1C 4158650 DQLXYODVSOFODU-SFHVURJKSA-N 358.463 3.529 0 40 FHAB Cc1cc(N2CCN(C(=O)c3c[nH]c4ccccc34)CC2)nc2ccccc12 13722207 IVNXSJZMHXNVLL-UHFFFAOYSA-N 370.456 3.987 0 40 FHAB Cc1cc(NC(=O)/C=C/c2ccc(F)cc2)n(-c2nc3ccccc3[nH]2)n1 6314994 IBNAUWYBNGIBSV-DHZHZOJOSA-N 361.380 3.848 0 40 FHAB COc1ccc(-c2noc(CCCC(=O)Nc3cccc(OC)c3)n2)cc1 4433239 AKXJPMATWSLPFY-UHFFFAOYSA-N 367.405 3.715 0 40 FHAB O=C(Nc1ccccc1OCc1cscn1)[C@@H]1Cc2ccccc2O1 65474936 BGIUTUABXFWFQA-SFHVURJKSA-N 352.415 3.664 0 40 FHAB CCOc1cc([C@@H]2NC(=O)c3c(sc4c3CC[C@H](C)C4)N2)ccc1O 17086089 TWHVGKKCNNLKPP-DYZYQPBXSA-N 358.463 3.831 0 40 FHAB Cc1ccc(-c2noc(CN(C)[C@@H](C)c3ccc(-n4cncn4)cc3)n2)cc1 14138531 NFTJPBLUKGSTSP-INIZCTEOSA-N 374.448 3.819 0 40 FHAB FC(F)(F)c1ccnc(Oc2ccccc2I)n1 70262569 AMRZFVJNTKGQST-UHFFFAOYSA-N 366.080 3.892 0 40 FHAB COc1ccc(C2=NO[C@H](c3cc(OC)c4c(c3OC)OCO4)[C@@H]2C)cc1 15081348 ZHOGSJIHBLCZFT-DIFFPNOSSA-N 371.389 3.553 0 40 FHAB CCc1cccc(CC)c1NC(=O)Cn1nc(-c2cccs2)ccc1=O 4986554 IFPQFFUKJBIEHT-UHFFFAOYSA-N 367.474 3.735 0 40 FHAB O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1ccccc1 7007857 FDPPQHDVSNZYCR-HSZRJFAPSA-N 356.425 3.877 0 40 FHAB C[C@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccc(-n2ccnc2)cc1 18048785 JPGAMBDDWMXFDL-ORAYPTAESA-N 367.836 3.707 0 40 FHAB CCOc1ccc2nc(Nc3nc(O)cc(C(F)(F)F)n3)nc(C)c2c1 18244412 HRYRIBUHVQAKIT-UHFFFAOYSA-N 365.315 3.595 0 40 FHAB COc1ccc(-c2noc(-c3cc(-c4cccs4)n[nH]3)n2)c(OC)c1 9002130 FVWVHXRLIMUJKJ-UHFFFAOYSA-N 354.391 3.872 0 40 FHAB CC(C)Cc1ccc([C@H](C)c2nn3c(-c4cnccn4)nnc3s2)cc1 9575827 WYHTUUHHRIYTHP-ZDUSSCGKSA-N 364.478 3.993 0 40 FHAB CCNC(=O)[C@H](C)Sc1nnc(Nc2ccc(C)c(Cl)c2)s1 9501665 UZZVKBRYBRPUOY-VIFPVBQESA-N 356.904 3.860 0 40 FHAB C[C@H](NS(=O)(=O)CC1CCCCC1)c1ccc(NC(=O)C2CC2)cc1 72230490 PFYVCSDRUFKMEN-AWEZNQCLSA-N 364.511 3.596 0 40 FHAB Cc1nc(C(=O)N(C)[C@@H](C)c2ccccn2)nn1-c1ccccc1C(C)C 84280554 SYRFVTKCPNHVCV-HNNXBMFYSA-N 363.465 3.927 0 40 FHAB CCOC(=O)[C@H](NC(=O)CCc1nc(C)c(-c2ccccc2)o1)[C@@H](C)CC 72303235 GJTAJQXGLVCCQE-IFXJQAMLSA-N 372.465 3.677 0 40 FHAB CN(C(=O)CN1CCN(CC(F)(F)F)c2ccccc21)c1ccccc1 72309441 ZEYJXFIEUPHWIJ-UHFFFAOYSA-N 363.383 3.538 0 40 FHAB CC(C)c1cc(C(=O)O)c2c(-c3ccc4c(c3)OCCCO4)noc2n1 62710734 CFJXWNCYNDTAOG-UHFFFAOYSA-N 354.362 3.873 0 40 FHAB CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)[C@@H](C)c1c(C)noc1C 95994199 DWFWICOOKJVQKP-BFCNOCSMSA-N 350.846 3.941 0 40 FHAB O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C[C@H](O)c1ccccc1 29340382 IHBMQAXGUPYBPC-FQEVSTJZSA-N 360.388 3.936 0 40 FHAB CC1(C)C[C@H](NC(=O)c2cc(Cl)c3c(c2)OCCCO3)C(C)(C)O1 95993882 QHXOGUKGBROMTR-AWEZNQCLSA-N 353.846 3.577 0 40 FHAB Cc1ccc(-c2nnc(CN(C)C(=O)COc3ccc(C)cc3C)o2)cc1 408714024 GUSMANRPZXXHHW-UHFFFAOYSA-N 365.433 3.699 0 40 FHAB CC(=O)c1oc2cc(C)ccc2c1CC(=O)NCc1nnc(C(C)C)s1 514733071 SSYUMURMGJHVIQ-UHFFFAOYSA-N 371.462 3.778 0 40 FHAB CC(C)(C)c1nc(CN2CCN(C(=O)c3ccccc3F)CC2)cs1 32913821 UIISNXTXZZBPAI-UHFFFAOYSA-N 361.486 3.538 0 40 FHAB O=C(NCc1ccc(-c2ccncc2)cc1)N1C[C@]2(CCCO2)[C@@H]1C1CC1 556751947 SKAVPPUZXIZRQD-RBBKRZOGSA-N 363.461 3.602 0 40 FHAB COc1ccc(CN2CCC[C@H]2c2ccnc(Nc3ccccn3)n2)cc1 72377431 IMFZNFMWLZHUAH-IBGZPJMESA-N 361.449 3.961 0 40 FHAB Cc1cc(C)nc(SCc2ccc(C(=O)Nc3nc(C)cs3)o2)n1 79489077 HMHSCVDKBGRJEA-UHFFFAOYSA-N 360.464 3.996 0 40 FHAB COc1cccc(-c2[nH]ncc2C(=O)NCc2ccc(F)cc2Cl)c1 72329224 JGLCIQKXAPVXHA-UHFFFAOYSA-N 359.788 3.808 0 40 FHAB Cc1ccccc1Oc1cncc([C@H]2CCCN(C(=O)c3ccccn3)C2)n1 72362268 JYNJISDURCFPQD-KRWDZBQOSA-N 374.444 3.992 0 40 FHAB COc1cccc(-c2nnsc2C(=O)Nc2cccc(C(C)=O)c2)c1 225766955 MAMRYTXEUSWRGH-UHFFFAOYSA-N 353.403 3.669 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)CCc1nc(-c2cccc(F)c2)no1 225802036 ZWLWUKYZQIRMCB-CYBMUJFWSA-N 351.381 3.786 0 40 FHAB COc1ccc2cc(S(=O)(=O)N(C)Cc3ccc(C)cc3)ccc2c1 225865028 UZRRRVYISFDFSY-UHFFFAOYSA-N 355.459 3.978 0 40 FHAB O=C(c1ccc(Cl)cc1Cl)N1CCC(C(=O)N2CCCCC2)CC1 41594819 COVUVAXASATQAY-UHFFFAOYSA-N 369.292 3.858 0 40 FHAB COc1ccc([C@@H](C)NC(=O)CCc2nc(-c3cccc(C)c3)no2)cc1 225814949 JSIFUXDWHNHQGW-OAHLLOKOSA-N 365.433 3.864 0 40 FHAB COc1ccc(OC)c([C@@H](C)NS(=O)(=O)Cc2cccc(Cl)c2)c1 225097831 KPMYMRBITGJALC-GFCCVEGCSA-N 369.870 3.538 0 40 FHAB COc1ccc(-c2nnsc2C(=O)N2c3ccccc3C[C@@H]2C)cc1 225886478 FXGNSQCDAFOIKX-LBPRGKRZSA-N 351.431 3.805 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 224393829 KYPJYKWMCZCAOU-FQEVSTJZSA-N 370.468 3.620 0 40 FHAB Cc1cc(N2C[C@@H](C)C[C@@H](C)C2)nc(NC(=S)NCc2ccc(C)o2)n1 225916108 JCSRMRFXEJEIPQ-BETUJISGSA-N 373.526 3.655 0 40 FHAB O=C(N[C@@H]1CCCc2ccccc21)c1cc(OCc2ccccc2)ncn1 225534257 OXUVAWVACVUJQA-LJQANCHMSA-N 359.429 3.863 0 40 FHAB CCOc1ccccc1NC(=O)c1snnc1-c1ccc(OC)cc1 225762498 UVYZDFHJCJOPLK-UHFFFAOYSA-N 355.419 3.865 0 40 FHAB COc1ccc(C[C@H]2CN(C(=O)c3cc(C)oc3C)CC[C@@H]2OC)cc1 96110570 DJAKWWZOXJTYGO-PXNSSMCTSA-N 357.450 3.625 0 40 FHAB Cc1ccc(C(=O)N2CC[C@]3(C[C@H]3C(=O)Nc3cccc(F)c3)C2)cc1C 96075042 MVMYHJIEBMGAPP-UGKGYDQZSA-N 366.436 3.933 0 40 FHAB O=C(Nc1ccccc1)N1CCC[C@]2(CCCN2Cc2cccnc2)C1 96214625 OSFDRNWAWDBANT-NRFANRHFSA-N 350.466 3.744 0 40 FHAB Cc1ccc(C)c([C@@H]2CCCN2S(=O)(=O)CCc2scnc2C)c1 333274591 DCOCGJNEGLJLAV-KRWDZBQOSA-N 364.536 3.778 0 40 FHAB C[C@@H]1CCCCN1[C@H](C)CNC(=S)NCCSc1ccccc1 245225447 VLNDUWHWWIRHLU-HZPDHXFCSA-N 351.585 3.506 0 40 FHAB Nc1nccc([C@@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)cc2)n1 257236078 HAROYCFYDIBLHO-FQEVSTJZSA-N 374.444 3.761 0 40 FHAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@@H](C)[C@H]3CCCOC3)c12 541874014 VAJYQPYPUNOYSR-BBRMVZONSA-N 365.433 3.743 0 40 FHAB CC(C)NC(=S)Nc1nc(N2CCCC[C@H]2C)cc(C(F)(F)F)n1 260739939 QTQOKIVOSZQJDV-SNVBAGLBSA-N 361.437 3.569 0 40 FHAB COC(=O)[C@H]1CN(C(=O)Nc2ccc(C3CC3)cc2)Cc2ccccc21 599765140 LXXYKCFPHAWTLS-IBGZPJMESA-N 350.418 3.868 0 40 FHAB O=C(c1cccs1)c1ccc(CNS(=O)(=O)c2cccs2)s1 96097192 KPXVDIKSWPRUIW-UHFFFAOYSA-N 369.514 3.581 0 40 FHAB C[C@]12CCN(C[C@]3(O)CC[C@@H](c4ccccc4)CC3)[C@H]1CCCCC(=O)N2 585282158 BBDDZCYNIMUUHZ-BAMDZGJYSA-N 370.537 3.599 0 40 FHAB Cc1ccc(C(=O)N2CCC[C@@]3(CCN3Cc3cnc(C)s3)C2)c(C)c1 585101783 GEIDINBUVURETR-OAQYLSRUSA-N 369.534 3.949 0 40 FHAB CN1CCOc2ccc(NC(=O)NCc3cccc(OC4CC4)c3F)cc21 666251595 WFAZEJKNSSWYIX-UHFFFAOYSA-N 371.412 3.517 0 40 FHAB O=C(COCc1ccccc1)N1CCC(c2ccc3cccnc3n2)CC1 655265579 BFCGQMAZEZZZKF-UHFFFAOYSA-N 361.445 3.553 0 40 FHAB Cc1ccc(C)c(OC[C@@]2(O)CN(C3CCCCCC3)CC[C@@H]2O)c1C 1615189092 AMWGHKYHZCITHK-UNMCSNQZSA-N 361.526 3.511 0 40 FHAB Cc1cccc(C(=O)N(c2ccc(Cl)cc2)[C@H]2C=CS(=O)(=O)C2)c1 5070554 NCDPSJBPOMSAKO-KRWDZBQOSA-N 361.850 3.606 0 40 FHAB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Br 5771430 XTZQUPALMQWZNZ-FMIVXFBMSA-N 372.178 3.903 0 40 FHAB Cc1cc(C)cc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)c1 12784515 OSLMKVFLPJYBBF-UHFFFAOYSA-N 372.490 3.730 0 40 FHAB CC[C@H](C(=O)Nc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714098 LJYPLEVOMLQGIP-MRXNPFEDSA-N 366.870 3.523 0 40 FHAB CCOc1cc([C@H]2CC(=O)Nc3c2cnn3-c2cccc(F)c2)ccc1O 14000940 TWHRTLIVBRFXBT-OAHLLOKOSA-N 367.380 3.590 0 40 FHAB CC[C@@H](C)C(=O)N1Cc2ccccc2OC2(CCC(N(C)C(C)=O)CC2)C1 19499902 NTEACTOZBKRKMQ-IDMYKUQPSA-N 372.509 3.613 0 40 FHAB CCC[C@H](NC(=O)N1CCOc2cc(OC)ccc2C1)c1ccccn1 670013395 KLDJLZRMWQEIGU-SFHVURJKSA-N 355.438 3.536 0 40 FHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(C(F)(F)F)cc1 5278794 JSNQJMCYWFFZHC-UHFFFAOYSA-N 357.353 3.751 0 40 FHAB Cn1cc(-c2ccc(CCNC(=O)C3(c4ccc(F)cc4)CC3)s2)cn1 1889205628 OQJGIFWKUFGJLI-UHFFFAOYSA-N 369.465 3.678 0 40 FHAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1OC(F)F 28055059 YICREUVZFLYBJQ-JTQLQIEISA-N 361.797 3.981 0 40 FHAB O=C1CO[C@]2(CCCN(Cc3cccs3)CC2)CN1c1cccc(F)c1 2037841179 ZHPNQMOZRZOQEM-FQEVSTJZSA-N 374.481 3.675 0 40 FHAB Fc1ccc(CN2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)cc1F 1204223149 BGHDANYDDJQNAY-OXQOHEQNSA-N 360.404 3.562 0 40 FHAB Cc1ccc2nc(SCc3ccc(C(F)(F)F)cc3)nc(=O)n2c1 4503690 LZNSYIUUOVGYLZ-UHFFFAOYSA-N 351.353 3.709 0 40 FHAB O=S(=O)(c1ccccc1)c1nc(-c2ccccc2F)oc1N1CCCC1 8844639 LMCFUAWOQIAGBG-UHFFFAOYSA-N 372.421 3.914 0 40 FHAB CCOc1ccc2ccccc2c1C(=O)NC[C@H]1COC2(CCCC2)O1 10220478 SSQAWHAFKUXIBO-INIZCTEOSA-N 355.434 3.654 0 40 FHAB CC(C)(C)n1nc2c(c1NC(=O)c1cc(-c3ccco3)on1)CSC2 42379362 IHPPZGQFMRVROL-UHFFFAOYSA-N 358.423 3.885 0 40 FHAB COc1ccc2nc(S[C@H](C)C(=O)Nc3cc(F)ccc3F)[nH]c2c1 7096486 LRTGTTKORWOCMX-SECBINFHSA-N 363.389 3.969 0 40 FHAB Cc1ccccc1CS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 40105958 JNMWTIMCCKNGRH-ZDUSSCGKSA-N 351.855 3.590 0 40 FHAB COc1ccc(-c2csc(N(C)C(=O)COc3ccccc3)n2)cc1 929062 MXIREURLRWMNCO-UHFFFAOYSA-N 354.431 3.861 0 40 FHAB CC(=O)Nc1ccc(C2=N/C(=C\c3c(C)[nH]c4ccccc34)C(=O)O2)cc1 15189526 WXKAAZQCBMFJEJ-ODLFYWEKSA-N 359.385 3.779 0 40 FHAB CCOC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CC[C@@H](CC)C2 5953986 UKRSPEBFEYJXCA-LLVKDONJSA-N 367.467 3.633 0 40 FHAB CCn1nc(C)c2c(C(=O)OC)cc(-c3cccc(OC(F)F)c3)nc21 2732159 UHSNHFTXKLACIW-UHFFFAOYSA-N 361.348 3.815 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1 3566036 PIVHCIXNNOXZKJ-UHFFFAOYSA-N 360.479 3.586 0 40 FHAB CCCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OC1CCCC1 4426826 MVJVZBKNPBGSCM-SFHVURJKSA-N 358.438 3.589 0 40 FHAB Cc1ccc(C(=O)NC2CCN(C(=S)Nc3ccc(F)cc3)CC2)cc1 4888664 SKHLHRLUONKGEK-UHFFFAOYSA-N 371.481 3.725 0 40 FHAB C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1n[nH]c2ccccc12 60012648 JHYHSAJWIBXBJN-LLVKDONJSA-N 363.339 3.779 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2ccccc2)o1 2631982 JRKBXZOAQVJJAS-HNNXBMFYSA-N 367.474 3.966 0 40 FHAB CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 5937736 FBHCIIOPXCPGQJ-UHFFFAOYSA-N 358.246 3.790 0 40 FHAB CC(C)OC(=O)c1ccc(CSc2nc3c(c(=O)[nH]2)CCCC3)cc1 11903569 KWKZJFGVFUAFBV-UHFFFAOYSA-N 358.463 3.506 0 40 FHAB CC(C)NC(=O)NCc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 21484044 HJICXQCBQSSUNH-UHFFFAOYSA-N 363.820 3.939 0 40 FHAB COc1ccccc1CNC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 20456991 SYHJOSMLLOPLMK-KRWDZBQOSA-N 352.478 3.857 0 40 FHAB Cc1ccc(-n2nnc(C(=O)NCCc3cccs3)c2C)cc1Cl 51317832 HWIYMPSZCMVSEL-UHFFFAOYSA-N 360.870 3.572 0 40 FHAB Cc1ccccc1CN1CCN(C(=O)c2cccc3c2O[C@H](C)[C@H]3C)CC1 32820188 BLZYUBLYNKUZEK-QZTJIDSGSA-N 364.489 3.837 0 40 FHAB CCOC(=O)c1ccoc1COC(=O)c1c2c(nc3ccccc13)CCC2 32910236 HXZJRFLBRKKIDK-UHFFFAOYSA-N 365.385 3.850 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1noc(-c2cccc(C)c2)n1 21806578 ISMOMTMNICZXMA-HNNXBMFYSA-N 355.369 3.980 0 40 FHAB CC(=O)c1cc2c(cc1NC(=O)c1csc(-c3ccc(C)o3)n1)OCO2 33153457 NLBSQVPGKCWLFF-UHFFFAOYSA-N 370.386 3.895 0 40 FHAB O=C(CSCC(=O)Nc1ccccc1F)Nc1ccc(Cl)cc1 646354 NKHIJNMGIHZVCJ-UHFFFAOYSA-N 352.818 3.790 0 40 FHAB CCn1c2ccccc2c2cc(NC(=O)CN3C[C@@H](C)O[C@H](C)C3)ccc21 22226218 LNDYRHZGYIPTNU-HZPDHXFCSA-N 365.477 3.862 0 40 FHAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)NC(=O)[C@]2(C)CC2(Cl)Cl)C1 103457774 WIVLOUMINQXUAV-VQISRLSMSA-N 363.354 3.872 0 40 FHAB O=C(COC(=O)c1cccnc1)Nc1cc(C(F)(F)F)ccc1Cl 807418 AMLTVQMTZGVEGK-UHFFFAOYSA-N 358.703 3.549 0 40 FHAB CC(C)CNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 821555 CEWUUPBXLZBWLL-NRFANRHFSA-N 368.502 3.847 0 40 FHAB CC(C)n1nccc1NC(=O)[C@H](C)Sc1ncc(-c2ccccc2)n1C 23292448 NRUFFWRUPSKPSA-AWEZNQCLSA-N 369.494 3.984 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)Cc1csc(-c2ccccn2)n1 23294499 JDRTZQMHTSSQJV-OAHLLOKOSA-N 351.475 3.885 0 40 FHAB CCc1ccc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)c(Cl)c1 42783118 GXOBBNVETWQLIZ-JSGCOSHPSA-N 369.845 3.744 0 40 FHAB O=C(CCc1cccnc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 23865178 AQEYAZIPYZXVHS-UHFFFAOYSA-N 353.403 3.505 0 40 FHAB O=C1c2ccccc2C(=O)N1C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 104808614 FUMNMHITSNBOBF-VCKYCXPWSA-N 360.251 3.769 0 40 FHAB CCn1c(SCc2nc3ccsc3c(=O)[nH]2)nnc1-c1ccccc1 8569527 BMRLVHGKMGFDNI-UHFFFAOYSA-N 369.475 3.555 0 40 FHAB O=C(CSC1=NCCS1)Nc1nc(-c2ccc(F)cc2)cs1 28623986 NLOSBDTZVKCTKG-UHFFFAOYSA-N 353.469 3.724 0 40 FHAB COc1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4ccccc4)nc3C2)cc1 1218719 SYGLGOVSSUAHRP-MRXNPFEDSA-N 373.412 3.650 0 40 FHAB O=C(c1cc(-c2cccc(Cl)c2)[nH]n1)N1CCN(c2ccccc2)CC1 24959883 GETSTEGISPUQNJ-UHFFFAOYSA-N 366.852 3.693 0 40 FHAB C[C@H](NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccco1 25257432 YEQWEPWBLVPIFC-ZDUSSCGKSA-N 360.369 3.571 0 40 FHAB C[C@H](Sc1nnc(N2CCOCC2)n1C1CC1)c1cc(F)ccc1F 56282605 USRDZPPFMNPKGP-NSHDSACASA-N 366.437 3.581 0 40 FHAB COc1ncccc1CNC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 26384915 WJMQCPAXBIUGBZ-SNVBAGLBSA-N 354.237 3.957 0 40 FHAB CC(C)NCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 3156119 OVLGMPBHGQQFKH-UHFFFAOYSA-N 354.273 3.509 0 40 FHAB Cc1ccc(CC(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1 7069744 KJLFLNSDTUUOSY-UHFFFAOYSA-N 351.324 3.738 0 40 FHAB COc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c(OC)c1 7057303 RPRZIKMXRMHYNT-UHFFFAOYSA-N 362.234 3.811 0 40 FHAB CC[C@H](C)NC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 57486749 CVLHKUZEWUNZTN-LBPRGKRZSA-N 358.829 3.773 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3C)n[nH]2)c(OC)c1 57412851 SSNIGVHQXPSIJT-UHFFFAOYSA-N 351.406 3.963 0 40 FHAB Cc1cnc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cn1 3268941 NSBKZFDZSBXXDN-UHFFFAOYSA-N 351.793 3.922 0 40 FHAB CCOc1ccc([C@H](C)NC(=O)Nc2ccc(C(=O)OC)cc2)cc1OC 48007561 WTHLJTZNOYBEPL-ZDUSSCGKSA-N 372.421 3.763 0 40 FHAB C[C@H]1CCCCN1C(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 3333131 CCPHBANAFRVKCN-AWEZNQCLSA-N 354.450 3.605 0 40 FHAB CCOc1ccc(CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 12796412 FMPPCXXEQRFHOS-UHFFFAOYSA-N 352.434 3.706 0 40 FHAB COc1cccc(COC(=O)c2cc(C)nc3c2cnn3C(C)C)c1OC 12779900 IZRDATZMRCBGPA-UHFFFAOYSA-N 369.421 3.695 0 40 FHAB O=C(NCc1ccc(Cn2cccn2)cc1)c1ccc(Br)cc1 12802875 HEBWOBPIFAETLA-UHFFFAOYSA-N 370.250 3.624 0 40 FHAB CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cn1 3470352 IUVWPNSWBYDKSI-UHFFFAOYSA-N 352.843 3.561 0 40 FHAB CC(C)CCNC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@H](C)C2 3481910 ORSMOASQWDDKMD-HNNXBMFYSA-N 368.477 3.679 0 40 FHAB O=C(COc1ccccc1-c1nc2ccccc2s1)NC[C@H]1CCCO1 3440996 UCTOKOSRMBIBJX-CQSZACIVSA-N 368.458 3.637 0 40 FHAB CC(=O)Nc1ccc(F)c(NC(=O)Cc2csc(-c3ccco3)n2)c1 12929210 OCQPHEYFDTWLNC-UHFFFAOYSA-N 359.382 3.682 0 40 FHAB Cc1ccccc1OCC(=O)Nc1nc(CN2CCC(C)CC2)cs1 12996499 PKRWDYAMJIPPHS-UHFFFAOYSA-N 359.495 3.701 0 40 FHAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCc3cc(C(=O)O)ccc32)cc1 13278418 RMYSTPWEIZPODW-CYBMUJFWSA-N 359.447 3.650 0 40 FHAB O=C(NCCCNC(=O)c1cccs1)c1ccc(-c2ccccc2)cc1 8402223 MOOXQGUCAOHJFJ-UHFFFAOYSA-N 364.470 3.965 0 40 FHAB CCCCCCN1C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@@]2(C)C1=O 4073682 GTVPRNOAICNQFG-NRFANRHFSA-N 369.465 3.792 0 40 FHAB biogenic O=C(N[C@H](c1ccccc1)c1cccs1)[C@H]1COc2ccccc2O1 7739249 WLOVKKBFWDXTEW-IEBWSBKVSA-N 351.427 3.794 0 40 FHAB CCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2F)N(C)C1=S 409048328 NZIQDYJVOYUUOU-ATVHPVEESA-N 370.449 3.824 0 40 FHAB O=C(OCc1cnc(-c2ccccc2)s1)c1ccc2c(c1)OCCO2 6084442 FKYPWSQQUVAWRS-UHFFFAOYSA-N 353.399 3.938 0 40 FHAB COc1ccc([S@](=O)CC(=O)Nc2ccc(Cl)cc2Cl)cc1 5210846 FMWCNCLITMZFKN-QFIPXVFZSA-N 358.246 3.748 0 40 FHAB O=C(N[C@H](c1ccccc1)c1ccccn1)c1ccn(-c2cccc(F)c2)n1 65475568 KADYEJAZCUIHCH-OAQYLSRUSA-N 372.403 3.926 0 40 FHAB Cc1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cn1 23437843 DZTGLQCZYVGLBM-HNNXBMFYSA-N 353.447 3.826 0 40 FHAB N=C1c2ccccc2CN1n1cnc2scc(-c3ccccc3)c2c1=O 6454505 UUWJYQSDDPKGTR-UHFFFAOYSA-N 358.426 3.602 0 40 FHAB CCC(=O)Nc1ccc(C(=O)COC(=O)c2cc3ccccc3[nH]2)cc1 5530793 PNMPYRMOKUPNSN-UHFFFAOYSA-N 350.374 3.556 0 40 FHAB Cc1ccc(C)c(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c1 6648407 FCPVUTVLGHPCHJ-UHFFFAOYSA-N 366.442 3.604 0 40 FHAB COC(=O)CSc1nc(SC)nc2c3c(sc12)CC(C)(C)OC3 6662747 ODMIFBZSBMNFNS-UHFFFAOYSA-N 370.521 3.530 0 40 FHAB CCOCCCNC(=O)COc1cc2sc(C)nc2c2sccc12 6600695 GXPWRHCYEHZCJJ-UHFFFAOYSA-N 364.492 3.741 0 40 FHAB COc1ccc(-c2csc(NC(=O)Cc3c(C)noc3C)n2)cc1F 8775795 SXZUUMBDJJGMDN-UHFFFAOYSA-N 361.398 3.744 0 40 FHAB CC1=NN(c2ccc(C(=O)NCc3cc(-c4ccccc4)on3)cc2)CC1 71184911 JNNFMARSLYDDEE-UHFFFAOYSA-N 360.417 3.858 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2ccc3nc(-c4ccncc4)[nH]c3c2)c1 71279856 SPYLGQRZKDTXHU-UHFFFAOYSA-N 374.400 3.894 0 40 FHAB CCN(CC)CCNC(=O)c1csc(Nc2ccccc2Cl)n1 9777568 WMUDZENMSHJVJF-UHFFFAOYSA-N 352.891 3.612 0 40 FHAB CC(C)CC(=O)Nc1nc(-c2ccc3c(c2)N(C)C(=O)[C@H](C)O3)cs1 19796653 VOVWSRAVMDBEQI-NSHDSACASA-N 359.451 3.538 0 40 FHAB CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 9364032 UAGVNRSKOQDEOB-UHFFFAOYSA-N 370.880 3.851 0 40 FHAB O=C1CCc2cc(OCCn3ccc(-c4ccc(F)cc4)n3)ccc2N1 78467637 UPMHWJRAHXDHOS-UHFFFAOYSA-N 351.381 3.653 0 40 FHAB O=C(C[C@H]1CCCO1)NC1(c2noc(C3CCCC3)n2)CCCCCC1 95431301 HUZSABAHJIDHBZ-MRXNPFEDSA-N 361.486 3.962 0 40 FHAB Cc1cccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)c1 20407969 DOVUEDSIIHDCCL-UHFFFAOYSA-N 366.442 3.874 0 40 FHAB Cc1noc2ncc(C(=O)Nc3ccc(N(C)C)cc3C(F)(F)F)cc12 59892173 DDKQCPUKKLBOQQ-UHFFFAOYSA-N 364.327 3.868 0 40 FHAB Cc1cc(OCC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)ccc1Cl 32593758 APQVZVJJSMAQDC-SFHVURJKSA-N 364.848 3.585 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C)cc1NC(=O)CC 408698921 SXWNAVXPWUIVMJ-UHFFFAOYSA-N 362.451 3.543 0 40 FHAB Cc1ccccc1C(=O)N[C@@H](C(=O)N(C)Cc1cccc(F)c1)C(C)C 33000155 VIGNGQKTBABNGJ-LJQANCHMSA-N 356.441 3.547 0 40 FHAB CCOc1ccc(-c2nc(N)ncc2Oc2ccccc2OC)c(O)c1 2238345 XCEIXEJTUICVTH-UHFFFAOYSA-N 353.378 3.631 0 40 FHAB biogenic COc1ccc(-c2nc(C(=O)Nc3cncc(C)c3)cs2)cc1OC 79580052 KVMYBALVJLIGLL-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB O=C(c1cnccn1)N1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 72349190 ZHDDPGPACADOAN-MRXNPFEDSA-N 362.408 3.698 0 40 FHAB O=C(c1ccc2c(=O)n(-c3cccc(Cl)c3)cnc2c1)N1CCCCC1 32104874 OHVXCEDVAXMXOD-UHFFFAOYSA-N 367.836 3.665 0 40 FHAB O=C(NCc1ccccc1Cl)C1CCN(C(=O)c2ccccc2)CC1 36171508 UBEGBFUHBULRJG-UHFFFAOYSA-N 356.853 3.509 0 40 FHAB Cc1nc([C@H]2CCN(C(C)C)C2)ncc1C(=O)Nc1ccc(Cl)cc1 72351977 TVIHJZFAZSGFFF-AWEZNQCLSA-N 358.873 3.888 0 40 FHAB CCCOc1ccc(-n2nc3cc(F)c(N)c(Br)c3n2)cc1 216870285 COMDMGPYEHFWBE-UHFFFAOYSA-N 365.206 3.693 0 40 FHAB Cc1nccn1-c1ccc(CNC(=O)COc2ccc(C(C)C)cc2)cc1 38756208 YEQXQOHEQDVUKZ-UHFFFAOYSA-N 363.461 3.999 0 40 FHAB Cc1cnc(-c2nc(NCc3cccnc3)ncc2-c2onc(C)c2C)cn1 72337653 RLWXFWRWNIQSIY-UHFFFAOYSA-N 373.420 3.521 0 40 FHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1 225720111 LMSSKRUCPLGILL-NRFANRHFSA-N 366.505 3.870 0 40 FHAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 224881787 SQGBPNAFJGEEIX-LLVKDONJSA-N 355.312 4.000 0 40 FHAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C)c1 224538861 OYCRHGNMFQQLHK-RBUKOAKNSA-N 364.474 3.606 0 40 FHAB CCOC(=O)c1c(NCc2ccc(F)cc2F)c2cccc(C)c2[nH]c1=O 49001473 GYPBUHJMBFRAQU-UHFFFAOYSA-N 372.371 3.904 0 40 FHAB CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)cc1C(=O)OC 225792407 RZXXNRJYBVVXGV-LJQANCHMSA-N 351.443 3.652 0 40 FHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3F)ccc21 225705453 PXNBFOMHCZMNAH-UHFFFAOYSA-N 366.439 3.584 0 40 FHAB Cc1ccc(CNC(=O)Nc2cccc(NC(=O)NC3CC3)c2)cc1F 40086425 NEFOYYKFXBWHNW-UHFFFAOYSA-N 356.401 3.740 0 40 FHAB CC(C)(C)OCCOc1ccc(C(=O)NCc2c[nH]c3ccccc23)cn1 225727974 DNXUVWURYKRDGR-UHFFFAOYSA-N 367.449 3.687 0 40 FHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1cc(OC)ccc1OC 224315037 PNUMMAYDROMQCK-AUUYWEPGSA-N 373.449 3.747 0 40 FHAB COc1ccc(C(=O)NCc2ccc(CN3CCCC3)cc2)cc1Cl 224516999 PQERVMNRPLRWRW-UHFFFAOYSA-N 358.869 3.874 0 40 FHAB O=C(NCc1cncc(-c2cccs2)c1)c1cncc(Br)c1 225665653 PCWQUYVVSNTVSB-UHFFFAOYSA-N 374.263 3.898 0 40 FHAB CCCSc1nnc(NC(=O)COc2cc(C)cc(C)c2C)s1 40989449 DBMPIYOHCLIEAQ-UHFFFAOYSA-N 351.497 3.983 0 40 FHAB O=C(CCc1c(Cl)cccc1Cl)NC[C@@H]1COc2ccccc2O1 225283721 MWWVBASDGARSIN-GFCCVEGCSA-N 366.244 3.882 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)COc2ccccc2C(C)C)cc1 222809097 UIARLKRERAHZBS-MRXNPFEDSA-N 357.450 3.781 0 40 FHAB CC[C@@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)c(C)c1 224203588 RKFHMAOHJHAVCB-MRXNPFEDSA-N 374.506 3.657 0 40 FHAB CCOC(=O)c1cccc(NC(=S)NC2(CCOC)CCCC2)c1C 225863886 YSQYADSHRMMCSN-UHFFFAOYSA-N 364.511 3.807 0 40 FHAB O=C(OC1CN(c2nc3ccccc3s2)C1)c1nc2ccccc2s1 77200626 DCWNPORDIANNEA-UHFFFAOYSA-N 367.455 3.952 0 40 FHAB C[C@H](NC(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1)c1cncc(F)c1 331642980 VECBBIQCGTZEDB-YVEFUNNKSA-N 363.820 3.718 0 40 FHAB O=C(NCCc1c[nH]c2c(Cl)cccc12)C(F)(F)c1nccs1 1586579465 WJCCOFSTBUGCPR-UHFFFAOYSA-N 355.797 3.729 0 40 FHAB O=C(Nc1ccccc1)[C@@H]1CN(Cc2cccs2)CC12CCOCC2 96052245 ZXWCARLSCPTRLB-SFHVURJKSA-N 356.491 3.615 0 40 FHAB O=C(c1ccc2[nH]ccc2c1)N1CCC(O)(c2ccc(Cl)cc2)CC1 96117842 HHTURCPSBLTVNU-UHFFFAOYSA-N 354.837 3.945 0 40 FHAB COC(C)(C)C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N[C@H]2Cc1ccccc1 257243632 IHWATVZSJVTJNG-BPDSMXLESA-N 370.537 3.544 0 40 FHAB CC(C)(C)CC(=O)N1CCO[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257211692 BZYOBBDFSSFRIP-QGZVFWFLSA-N 360.429 3.741 0 40 FHAB CC(=O)N1c2ccccc2C[C@H]1c1nc(C(F)(F)c2ccc(F)cc2)no1 680728800 FKBLIWBGHNWKIF-INIZCTEOSA-N 373.334 3.999 0 40 FHAB OC1CCN(Cc2ccccc2CNc2nccnc2-c2ccccc2)CC1 685270810 FVAKJOIFQCRYGL-UHFFFAOYSA-N 374.488 3.712 0 40 FHAB COc1ccc2[nH]c(C(=O)N(C)C[C@@H]3CCCN4CCCC[C@@H]34)cc2c1 1772491369 GWXLEWZHYUCFIN-YWZLYKJASA-N 355.482 3.513 0 40 FHAB biogenic CCCC[C@H](C)C(=O)NC1(C2CCN(c3ncnc4c3CCC4)CC2)CC1 1775992646 UGZBPOOVFNYKOG-INIZCTEOSA-N 370.541 3.657 0 40 FHAB Cc1cccc(CN2Cc3cccn3C[C@H](CCNc3ccccn3)C2)n1 585095542 VVJLVDKMOAPTJK-LJQANCHMSA-N 361.493 3.721 0 40 FHAB O=C(CCc1ccccc1)N1CCC(c2ccc(-c3cncnc3)cn2)CC1 72380119 QBZYDZJMYOYYSX-UHFFFAOYSA-N 372.472 3.877 0 40 FHAB O=C(COc1ccc(Cl)cc1)NCC1(c2ccsc2)CCOCC1 952989390 DJWPPTYWPVUSTC-UHFFFAOYSA-N 365.882 3.645 0 40 FHAB C[C@H]1CCc2c(sc3nnn(CCCCOc4ccccc4)c(=O)c23)C1 5182236 PFVSFGCPXZSECC-AWEZNQCLSA-N 369.490 3.837 0 40 FHAB CC(C)[C@H](NC(=O)COc1ccccc1)c1ccc2c(c1)OCCCO2 5407879 PBIQMTBYJAJRIT-NRFANRHFSA-N 355.434 3.740 0 40 FHAB CCc1nc2cc(NC(=O)c3cccc(N4CCCC4=O)c3)ccc2n1C 12143791 UFCWCGDDGIHQCF-UHFFFAOYSA-N 362.433 3.515 0 40 FHAB CN(CCCNC(=O)c1ncoc1-c1ccccc1F)c1ccccc1 12144397 FLNXMKNDHSPSRH-UHFFFAOYSA-N 353.397 3.737 0 40 FHAB O[C@H](CN1CCC(O)(c2ccc(F)cc2)CC1)c1ccc2c(c1)CCCC2 12292603 RLMWXUHCCWPNBR-JOCHJYFZSA-N 369.480 3.722 0 40 FHAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)N(C)Cc1ccc2c(c1)OCCO2 12866177 CGDQEHABHYKPNM-CQSZACIVSA-N 374.868 3.879 0 40 FHAB CCOc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)C(C)C)cc1 13479896 DQPVHVAEMQDYNL-UHFFFAOYSA-N 364.445 3.978 0 40 FHAB COc1ccccc1Nc1nn2c(=O)c3ccc(Cl)cc3nc2s1 16973929 IINIBAOOVFWFSI-UHFFFAOYSA-N 358.810 3.710 0 40 FHAB Cc1cccc(CC(=O)N2CCCC[C@@H]2c2n[nH]cc2-c2cc(C)no2)c1 19234727 UASHYVQOQPZGMN-GOSISDBHSA-N 364.449 3.978 0 40 FHAB C[C@H](Cc1ccccc1F)N1CC[C@@]2(CCc3ccccc3C(=O)N2)C1 19456893 RAMNQILXCKTTEZ-ZHRRBRCNSA-N 352.453 3.577 0 40 FHAB COCCOc1cccc(CN2[C@H]3CC[C@@H]2c2cnc(C4CC4)nc2C3)c1 19593768 YYNYMGNONIYXEB-LAUBAEHRSA-N 365.477 3.641 0 40 FHAB COc1ccc2c(c1)OCC(CN(Cc1ccccn1)C[C@H]1CCCO1)=C2 19663006 AVRDZMPOSUWXBP-OAQYLSRUSA-N 366.461 3.547 0 40 FHAB COc1ccc(Br)cc1C(=O)n1cc(C(=O)O)c2ccccc21 226367149 VDCXUIOYMKMDAJ-UHFFFAOYSA-N 374.190 3.799 0 40 FHAB CCOc1ccccc1C(=O)N1CCC[C@H]2NC[C@H](c3ccc(F)cc3)[C@H]21 19520114 ZLIWJBSVUQSBJB-SFHLNBCPSA-N 368.452 3.585 0 40 FHAB CC(=O)OC[C@@]1(O)C[C@@]23CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]2CC[C@@H]1C3 238730942 WOHNELZOUBHDQW-UORBNBSKSA-N 364.526 3.684 0 40 FHAB biogenic,in-vitro O=C1O[C@]2(COCCN(C3CCCCC3)C2)CN1c1ccc(Cl)cc1 2037838342 FCRDKDHDEXUVKC-IBGZPJMESA-N 364.873 3.700 0 40 FHAB COc1ccc2nc(N3CCN(C(=O)c4ccc(C)cc4)CC3)sc2c1 5181066 IMJOUACZQZZPQD-UHFFFAOYSA-N 367.474 3.576 0 40 FHAB O=C(Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2)c1ccc(F)cc1 9036440 PWGNYSWRCCBIGP-UHFFFAOYSA-N 364.376 3.870 0 40 FHAB COCCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@H]1c1ccc(Cl)cc1 15921088 JUYFAQXHVIHPGP-GOSISDBHSA-N 371.824 3.905 0 40 FHAB CCCn1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1ccc(Cl)cc1 101113559 OZNRYNFGQIXQHE-CJLVFECKSA-N 356.813 3.526 0 40 FHAB O=C(NCC1CCN(c2ccccn2)CC1)c1cccc(C(F)(F)F)c1 43975941 FFQOHVVIJPZOJG-UHFFFAOYSA-N 363.383 3.747 0 40 FHAB CNC(=O)CSc1ncc(-c2ccc(OC)cc2)n1-c1ccc(F)cc1 44087044 DVQJJGAMDFDWAG-UHFFFAOYSA-N 371.437 3.525 0 40 FHAB CCc1ccc(OS(=O)(=O)c2cc(Br)ccc2OC)cc1 32602240 FHVNXDSEKBEZNG-UHFFFAOYSA-N 371.252 3.788 0 40 FHAB COc1ccc(/N=c2\sc(C)c(-c3ccc(OC)cc3)n2CCO)cc1 100053460 NTWBMXBDTUNJRZ-MRCUWXFGSA-N 370.474 3.767 0 40 FHAB CCN1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2Cl)CC1 809779 DEWWFRJVIIQPAT-UHFFFAOYSA-N 361.848 3.873 0 40 FHAB COc1ccc(OC)c(C(=O)CSc2nnc(-c3cccs3)o2)c1 928222 AQYYVBFKUWJDNB-UHFFFAOYSA-N 362.432 3.790 0 40 FHAB CC(=O)c1sc(NC(=O)/C=C/c2coc3ccc(C)cc3c2=O)nc1C 950317 MHJAOFUXSMXDNM-FNORWQNLSA-N 368.414 3.721 0 40 FHAB COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)C(C)(C)C 1353698 PQLWJUMPPYCXAO-UHFFFAOYSA-N 356.397 3.973 0 40 FHAB COc1ccc([C@H]2C=C(c3ccc(Cl)cc3)N=C3NN=NN32)cc1OC 2612848 BODXFWWQPSFLAH-OAHLLOKOSA-N 369.812 3.996 0 40 FHAB COc1ccc(C(C)=O)cc1COC(=O)/C=C/c1cccc(OC)c1OC 2617128 WBMJZRRHHCNTPZ-PKNBQFBNSA-N 370.401 3.672 0 40 FHAB CCCn1c([C@@H](C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 2721301 UQRXNYFDCFMVNO-CQSZACIVSA-N 367.449 3.955 0 40 FHAB FC(F)n1nccc1-c1nnc(Nc2ccn(Cc3ccccc3)n2)s1 2731261 HZNSPHJQDLAZAZ-UHFFFAOYSA-N 373.392 3.785 0 40 FHAB CCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)OCc2ccccc2)cc1 2923377 ZJUZLTMSVIEJMX-LJQANCHMSA-N 368.433 3.825 0 40 FHAB CN(C)[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 3375004 QPRHQSKHZQCBQK-HNNXBMFYSA-N 373.305 3.575 0 40 FHAB COc1ccc(CN(C)[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc1 3491730 YKVYEYFYNDRIIA-KKSFZXQISA-N 352.478 3.709 0 40 FHAB CCOc1ccc(-n2nnc(C(=O)Nc3ccc(F)cc3F)c2C)cc1 4316368 AHGMYMZTUKCJNG-UHFFFAOYSA-N 358.348 3.505 0 40 FHAB O=C(CSc1ccc(-c2ccco2)nn1)NCc1ccc(Cl)cc1 4357975 QUZQIRUHTIRDQR-UHFFFAOYSA-N 359.838 3.799 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)NCc2ccco2)n1CC(C)C 4388376 XIIKUMZDXSPEEJ-UHFFFAOYSA-N 374.466 3.504 0 40 FHAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1Br 5126716 HZNQLJMAOSHWCG-UHFFFAOYSA-N 352.253 3.509 0 40 FHAB Cc1nc(-c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)cs1 5557463 XPUHWAAOQJNCOE-CHWSQXEVSA-N 350.509 3.785 0 40 FHAB O=C(CSc1nnnn1-c1ccccc1)c1ccc2c(c1)CCCC2 5652046 QUCFBNHBGVORJV-UHFFFAOYSA-N 350.447 3.516 0 40 FHAB C[C@@H](Sc1nncs1)C(=O)Nc1ccccc1C(=O)c1ccccc1 6085992 KVRHDGYRMUJJBA-GFCCVEGCSA-N 369.471 3.888 0 40 FHAB Cc1cc(C)c(COc2ccc([C@@H]3N[C@H](C(=O)O)CS3)cc2)c(C)c1 6418512 YFVUJXOVGOUYJJ-RBUKOAKNSA-N 357.475 3.979 0 40 FHAB COc1ccccc1-n1cnnc1SCc1cn2cc(Cl)ccc2n1 6465735 SPDTYQOIJHCMED-UHFFFAOYSA-N 371.853 3.869 0 40 FHAB Cc1ccc(Nc2nnc(SCC(=O)N3CCC[C@@H](C)C3)s2)cc1 6784929 LUYKEKXOELMRMT-CYBMUJFWSA-N 362.524 3.941 0 40 FHAB CCN(CC)C(=O)c1cccc(NC(=O)CN2c3ccccc3C[C@@H]2C)c1 7114962 GUJFSJOXSRRQLS-INIZCTEOSA-N 365.477 3.558 0 40 FHAB C[C@H](OC(=O)c1ccc(Cl)cc1O)C(=O)NC[C@@H](C)c1ccccc1 7199494 CLJYPJFVHUJQBL-OLZOCXBDSA-N 361.825 3.511 0 40 FHAB C[C@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(C(F)(F)F)cc1 7221941 KQROPWBYMWBCRC-NSHDSACASA-N 366.339 3.916 0 40 FHAB CCOC(=O)[C@@H]1CCCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 7436442 QYNVFLZSLOSVSD-NWDGAFQWSA-N 373.280 3.596 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCCC1CCCCC1 7778579 VKEQUKDFGSJRAQ-UHFFFAOYSA-N 366.527 3.934 0 40 FHAB O=C(NCc1ccccc1CN1CCCCC1)c1cncn1-c1ccccc1 8157363 NDDBWNZHBPOLQP-UHFFFAOYSA-N 374.488 3.788 0 40 FHAB CCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(OC)cc2)n1 8476355 CETKTMUQXQLPGP-UHFFFAOYSA-N 370.840 3.736 0 40 FHAB O=C([C@@H](Nc1cccc(N2CCCC2=O)c1)c1ccccc1)N1CCCC1 9428853 IWIIATSRWQFZBN-NRFANRHFSA-N 363.461 3.589 0 40 FHAB CCc1ccc(-c2nc(C)c(C(=O)N(C)CC(=O)NC(C)(C)C)s2)cc1 9449368 QBMHPHLNKZQSBK-UHFFFAOYSA-N 373.522 3.668 0 40 FHAB COc1ccc(Cc2nn3c(-c4cccc(F)c4)nnc3s2)cc1OC 10311595 VYYXGELEWQONSV-UHFFFAOYSA-N 370.409 3.600 0 40 FHAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CCCC2)cc1 10429749 HIDGHWGERZAYSL-FQEVSTJZSA-N 365.477 3.680 0 40 FHAB COc1ccc(C(=O)[C@@H](C)Sc2ccc(-n3nc(C)cc3C)nn2)cc1 11139973 AHVAWKUTVHYJSO-CQSZACIVSA-N 368.462 3.651 0 40 FHAB CC(C)C[C@@H](NC(=O)CSc1nnnn1C1CCCC1)c1ccccc1 11621691 PZBDISXZUXHALZ-QGZVFWFLSA-N 373.526 3.784 0 40 FHAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)CCn2ccnc2C)sc1C 12087900 QSJUVXWFVLNSEU-MRXNPFEDSA-N 374.535 3.817 0 40 FHAB COC(=O)[C@](Nc1ccc(C)cc1)(Nc1cc(C)ccn1)C(F)(F)F 12461651 UJZLPCHKWYAIRH-INIZCTEOSA-N 353.344 3.654 0 40 FHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CCc1c[nH]c2ccccc12 12696878 QDEOKAMUJRDBNU-UHFFFAOYSA-N 350.418 3.530 0 40 FHAB Cc1cccc(-c2nnc(S)n2CC(=O)N[C@@H](C)c2ccc(F)cc2)c1 12976989 ONSJCZSDIPKKNN-ZDUSSCGKSA-N 370.453 3.559 0 40 FHAB CCOc1cc(/C=C/C(=O)Nc2nnc(CC)s2)ccc1OC(F)F 13056834 HZRBDDTWJOFGBA-SOFGYWHQSA-N 369.393 3.753 0 40 FHAB O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1cccc(Cl)c1 14004923 FCWALCKPVNVFBR-OAHLLOKOSA-N 358.825 3.501 0 40 FHAB Cc1ccc(CSCC(=O)NCC(=O)Nc2c(C)cccc2C)cc1 14094605 NFOCDAWMQKQTIE-UHFFFAOYSA-N 356.491 3.600 0 40 FHAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2Cc2ccco2)c(C)n1C 14112477 XEFQMIZYOFUMOA-UHFFFAOYSA-N 370.478 3.727 0 40 FHAB Cc1cc(C(=O)NCc2ccc(CN3CCCC3)cc2)c(C)n1C1CC1 14126028 OTVJGLVDAPTFPN-UHFFFAOYSA-N 351.494 3.966 0 40 FHAB Cc1c(C(=O)OCC(=O)N2CCc3sccc3C2)oc2ccc(F)cc12 14139363 ALEODLBTIRJXBJ-UHFFFAOYSA-N 373.405 3.684 0 40 FHAB CCOc1cc2c(cc1OCC)CN(C(=O)COc1cccc(C)c1)CC2 14245455 YDPSVLVFRQKKBW-UHFFFAOYSA-N 369.461 3.756 0 40 FHAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(-n2cnnn2)c1 14493458 JSIBJHPLRSDCAV-UHFFFAOYSA-N 357.373 3.707 0 40 FHAB COc1ccc(CC(=O)NCc2csc(-c3ccc(C)cc3)n2)cc1 15832603 YZFFILBOVOBMAC-UHFFFAOYSA-N 352.459 3.986 0 40 FHAB Cc1cccc(OCCCNC(=O)c2ccc(NC(=O)C3CC3)cc2)c1 16278155 XUQLDNGZQSBUGD-UHFFFAOYSA-N 352.434 3.542 0 40 FHAB CC(C)C(=O)N1CCC[C@](Cc2cccc(-c3cccs3)c2)(C(N)=O)C1 19085407 BAODGOSSRDEBPG-OAQYLSRUSA-N 370.518 3.708 0 40 FHAB O=C(c1cc(C2CCN(Cc3cccc(F)c3)CC2)no1)N1CCCCC1 19293795 AHVYTMJUUFATDI-UHFFFAOYSA-N 371.456 3.819 0 40 FHAB COCCn1cnc2cc(C(=O)Nc3cccc(OC(C)C)c3)ccc21 19450955 VXQVOUBJVGHJIJ-UHFFFAOYSA-N 353.422 3.722 0 40 FHAB CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(SC)cc2)cc1 20029948 LEAYIFQLUCSARZ-CYBMUJFWSA-N 351.493 3.847 0 40 FHAB O=C(Nc1ccc(F)cc1F)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 21450120 MZIBFEWPWJOGIY-SNVBAGLBSA-N 350.752 3.610 0 40 FHAB Cc1nc2sc([C@H](c3ccccc3F)N3CCC(C)CC3)c(O)n2n1 22626141 TXKXBSXBEXKJGY-HNNXBMFYSA-N 360.458 3.765 0 40 FHAB CCOc1cc2c(cc1CNC[C@H](c1ccco1)N1CCCC1)O[C@H](C)C2 22933801 CUOMTNSDJHCUTN-VQIMIIECSA-N 370.493 3.928 0 40 FHAB COc1cccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1 24560114 SRKVTIOFDXKLHT-HXUWFJFHSA-N 361.445 3.747 0 40 FHAB COc1ccc(Cc2cnc(NC(=O)CSc3ccccn3)s2)cc1 24826663 RWSQCJTVYPJKGH-UHFFFAOYSA-N 371.487 3.868 0 40 FHAB CCSc1ncc(Br)c(C(=O)Nc2ccc(F)cc2)n1 27741927 WOINCJTVRMTMTI-UHFFFAOYSA-N 356.220 3.743 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H](C)Cn1nc(C(F)(F)F)cc1C 28238961 WEAYDPABYHEWDZ-NSHDSACASA-N 355.360 3.884 0 40 FHAB CN(C)Cc1ccc(CNC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc1 30562218 DRDVASWKWKLCRX-UHFFFAOYSA-N 374.488 3.741 0 40 FHAB CC(C)c1ccc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3N=C2O)cc1 32124471 VDKHLOIYYSWZKD-SFHVURJKSA-N 365.433 3.929 0 40 FHAB biogenic O=C(Nc1cccc2cccnc12)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32795902 CKDUSCATHXVOGM-GOSISDBHSA-N 371.440 3.715 0 40 FHAB CC(C)(C)c1nc2cc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)ccc2o1 32818756 GEVNNTKIZAKSTE-KRWDZBQOSA-N 364.401 3.846 0 40 FHAB Cc1ccc(C(=O)OCc2nnc(-c3ccc(Br)cc3)o2)cn1 32894920 STOTUUQQANUJIM-UHFFFAOYSA-N 374.194 3.560 0 40 FHAB CC(C)c1ccc([C@H](C)NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1 32900219 FXCYAKUIMHLUDO-HNNXBMFYSA-N 374.506 3.697 0 40 FHAB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S 35038958 FTDMUKWPMLQPIA-PCRWRXJSSA-N 365.476 3.540 0 40 FHAB COc1ccc(CC(=O)Nc2nnc(-c3ccccc3F)s2)cc1OC 35289427 UPAHMSGECFBEAT-UHFFFAOYSA-N 373.409 3.543 0 40 FHAB O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 35289582 OFXLUZZYBAIKGN-KRWDZBQOSA-N 357.841 3.653 0 40 FHAB COc1ccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)cc3)C2)cc1 35314071 RRPHUFWKPPETRT-CQSZACIVSA-N 371.412 3.717 0 40 FHAB COc1ccc(NC(=O)CCn2sc3ccccc3c2=O)cc1Cl 36358768 LOBCRHYJGVDRQZ-UHFFFAOYSA-N 362.838 3.754 0 40 FHAB O=C1C[C@H](Nc2ccc(Cl)cc2Cl)C(=O)N1c1cccc(F)c1 36635744 YGVUWSLSYWAJOR-AWEZNQCLSA-N 353.180 3.877 0 40 FHAB COc1ccc(-c2nnc([C@@H]3CCCN(C(=O)c4ccco4)C3)s2)cc1 36705197 FZNGWMCDNVELDS-CQSZACIVSA-N 369.446 3.827 0 40 FHAB O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38849071 ILNISRZLVAETCD-ZBFHGGJFSA-N 371.308 3.501 0 40 FHAB Cc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)Nc2ccccc21 39538424 QTCXDRGOLWMLEU-ZDUSSCGKSA-N 359.223 3.822 0 40 FHAB O=C(Nc1ccncc1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 40086587 UPDRVMHDJRCHFS-HNNXBMFYSA-N 364.232 3.632 0 40 FHAB C[C@H](NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)c1ccncc1 40115840 XZAHULBECMOFCL-HOCLYGCPSA-N 366.490 3.785 0 40 FHAB Cc1cc([C@H](C)NC(=O)c2nc(N3CCCC3)ncc2Cl)c(C)s1 40141946 WETWBPPKFQIRAP-NSHDSACASA-N 364.902 3.900 0 40 FHAB CCC(=O)N1CCN(c2ccccc2NC(=O)c2cccc(Cl)c2)CC1 41091644 HJFOFMFRGQWZTO-UHFFFAOYSA-N 371.868 3.651 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 44846796 UKSYOOUZCJMWCU-NVXWUHKLSA-N 357.450 3.663 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1-n1ccnc1C 44904651 UBDNOOFGAKXCDZ-HXUWFJFHSA-N 367.424 3.794 0 40 FHAB CN(CC1CC1)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 47919897 LSTLTHVFISNEGU-UHFFFAOYSA-N 350.462 3.560 0 40 FHAB CCOC(=O)N1CCC(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)CC1 48252525 SLWCADPAOVOVBV-UHFFFAOYSA-N 362.514 3.530 0 40 FHAB CCOc1ccc(-c2noc(CN3CCN(CCC(C)(C)C)CC3)n2)cc1 48354583 WTMJLSLGUBPPHH-UHFFFAOYSA-N 372.513 3.689 0 40 FHAB Cn1c(SCC(=O)N2CCc3ccccc3C2)nc2cc(Cl)ccc21 48364132 ZLUHRUSKUUEALD-UHFFFAOYSA-N 371.893 3.904 0 40 FHAB CCNC(=O)COc1cccc(NC(=O)c2ccc(SC(C)C)cc2)c1 48365159 CQAULXWHSRJOGW-UHFFFAOYSA-N 372.490 3.954 0 40 FHAB Cc1cc(NC(=O)CN(C)[C@@H](c2ccccc2)c2ccc(F)cc2)no1 55102538 GKQYENRVNCCSMM-FQEVSTJZSA-N 353.397 3.782 0 40 FHAB O=C(/C=C/c1ccccc1)NC(=S)Nc1c(Cl)ccc2nsnc12 57314181 QDRXDDXOTBMCLX-RMKNXTFCSA-N 374.878 3.871 0 40 FHAB Cc1cccc(N(CCC(N)=O)C(=O)c2cc3c(F)cccc3s2)c1 58357832 BCIZNULPYQWAAJ-UHFFFAOYSA-N 356.422 3.871 0 40 FHAB CSCC[C@@H]1NC(=S)N([C@H](C)c2ccccc2C(F)(F)F)C1=O 58377657 QVZWGEQGDDIRBH-SKDRFNHKSA-N 362.442 3.605 0 40 FHAB OC(c1ccc(I)cc1)(C(F)(F)F)C(F)(F)F 68591181 NWOVMGAMYWGHLP-UHFFFAOYSA-N 370.030 3.603 0 40 FHAB biogenic O=C(CSc1ncnc2c(-c3cccc(F)c3)c[nH]c12)NC1CCCC1 71328170 OGHSFFXNMUALLV-UHFFFAOYSA-N 370.453 3.915 0 40 FHAB O=C(c1cc[nH]n1)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72349803 DDGIHBWZONSMSC-MRXNPFEDSA-N 364.424 3.554 0 40 FHAB COc1cccc(-c2noc([C@@H]3CCN(Cc4ccc(F)cc4)C3)n2)c1 72369855 PDKLILMNCBFZKF-MRXNPFEDSA-N 353.397 3.874 0 40 FHAB CC(C)c1nnc(NC(=O)c2cc(-c3cccc(Cl)c3)nn2C)s1 72406242 BWHNGRZMSAQEAL-UHFFFAOYSA-N 361.858 3.968 0 40 FHAB O=C(NCc1cccnc1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 76758725 DZNYUWZSLLYDJJ-QGZVFWFLSA-N 363.421 3.568 0 40 FHAB Cc1cc(F)ccc1-n1cc(O)c(C(=O)N2CC[C@@H](c3ccccc3)C2)n1 81727447 ZUEGEWHIUDICEE-MRXNPFEDSA-N 365.408 3.655 0 40 FHAB Cc1cccc(C(=O)c2ccccc2CN2CCC3(CC2)OCCO3)c1 85651529 FMZNURJRKLMPES-UHFFFAOYSA-N 351.446 3.565 0 40 FHAB O=C(Cc1noc2ccccc12)Nc1cc(-n2ccc3ccccc32)ncn1 90614301 RYRSPDQDGJKLMZ-UHFFFAOYSA-N 369.384 3.743 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H](C(C)(C)C(=O)NCCc2ccco2)C1 95453941 VOZGNOLOCZXTPI-OAHLLOKOSA-N 364.486 3.612 0 40 FHAB C[C@H](CSc1ccc(F)cc1)C(=O)NCC1([C@H](C)CCO)CCC1 95463253 HPLPXRANHIYWFG-HUUCEWRRSA-N 353.503 3.859 0 40 FHAB C[C@H](NC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1)c1ccon1 95468897 JLMDRXQUPVRLSZ-AWEZNQCLSA-N 364.405 3.834 0 40 FHAB COc1ccc(C(=O)Nc2cc(C)nn2-c2ccccc2C)c(OC)c1 95946851 FGDMZTYRKSROLF-UHFFFAOYSA-N 351.406 3.759 0 40 FHAB c1ccc(COC[C@]23CCCO[C@@H]2CCN(Cc2ccsc2)C3)nc1 96040227 YPRXXSKNFOKYLV-WOJBJXKFSA-N 358.507 3.731 0 40 FHAB Cc1ccc(NC(=O)c2cc(C(C)C)nc(N3CCCCCC3)n2)nc1 96192029 LUIXIEGBSPUWRL-UHFFFAOYSA-N 353.470 3.936 0 40 FHAB Cc1ccc(CN2CCC3(CC2)CN([C@H]2CCOC2)Cc2ccccc23)o1 96242600 AGGAOMOCLIKJET-FQEVSTJZSA-N 366.505 3.726 0 40 FHAB O=C(Cc1ccccc1)Oc1ccccc1N1C(=O)[C@H]2CCCC[C@H]2C1=O 100743715 KHVQFYZGQTWXKT-CALCHBBNSA-N 363.413 3.514 0 40 FHAB C[C@@H](NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1C[C@H]2CC[C@H]1C2 103469076 LNOCKXMAXPWDEM-DVYDYJRJSA-N 372.553 3.650 0 40 FHAB O=C(CSCc1ccc(F)cc1)NCC1(c2ccccc2)CCOCC1 121845111 LPNOIMLONYKFPG-UHFFFAOYSA-N 373.493 3.924 0 40 FHAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl)[C@@H]1C[C@H]31 169682326 AHRHOXMJGPWESI-STNJXGOFSA-N 367.754 3.916 0 40 FHAB Cc1ccc2cccc(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)c2n1 211109390 QWOKRXXJJWVWCG-UHFFFAOYSA-N 372.424 3.845 0 40 FHAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)cc1 223780191 YMXHGECRBMIVRX-RBUKOAKNSA-N 364.474 3.904 0 40 FHAB CCCc1ccc(OCCNS(=O)(=O)Cc2cccc(Cl)c2)cc1 224175013 YOIHISWABNIVKZ-UHFFFAOYSA-N 367.898 3.791 0 40 FHAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2 224326079 JBTCOBPXZFISID-RBZLQPHVSA-N 364.445 3.664 0 40 FHAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](CC)C(=O)NC1CCCC1 224364724 XJKRNZHSQYKCPZ-KRWDZBQOSA-N 350.890 3.916 0 40 FHAB CCOc1ccc(C(=O)N[C@@H](C)COC)cc1COc1cccc(C)c1 224462475 JFTWEXPBAOJJLK-INIZCTEOSA-N 357.450 3.737 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)NCc2cccc(CN3CCCC3)c2)c1C 224623764 TWYYAIPYXJEIQX-LJQANCHMSA-N 366.505 3.983 0 40 FHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1 225013617 IYIDATYROQGQDZ-OALUTQOASA-N 366.505 3.870 0 40 FHAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1 225071301 SFKTVNSJNFZJPV-IBGZPJMESA-N 366.505 3.524 0 40 FHAB Oc1cccc(CN2CCN(C(=S)Nc3ccccc3Cl)CC2)c1 225219980 SEDTUFLISPJLBO-UHFFFAOYSA-N 361.898 3.560 0 40 FHAB COC[C@@H]1CN(Cc2ccco2)CC12CCN(Cc1cccc(F)c1)CC2 247828282 GNIWCQCFRPACOW-IBGZPJMESA-N 372.484 3.779 0 40 FHAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc3cc(Cl)ccc3c(Cl)c12 255189889 SVAYPYICYDDYIG-JTQLQIEISA-N 370.261 3.559 0 40 FHAB CS(=O)(=O)N(Cc1ccc(Br)cc1)c1cccc(F)c1 408627672 ONJFUOKLVBGXDC-UHFFFAOYSA-N 358.232 3.554 0 40 FHAB O=C(NC(=S)NCc1ccco1)c1cccc(OCc2ccccc2)c1 408628354 ROXOOMNXANMMIV-UHFFFAOYSA-N 366.442 3.663 0 40 FHAB Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3c(C)nn(C)c3C)n[nH]2)cc1 519205444 BICGPENNPWQUEU-LJQANCHMSA-N 363.465 3.713 0 40 FHAB CC(C)(C)c1cnc(CNC(=O)C2(Cc3cccc(F)c3)CCOCC2)o1 551673651 PYJWABKJFSMIEO-UHFFFAOYSA-N 374.456 3.767 0 40 FHAB Cc1ccc(Cc2ccccn2)cc1NC(=O)N1CC[C@@H](n2cccn2)C1 584027715 PUVYYNAIUIRGPF-LJQANCHMSA-N 361.449 3.656 0 40 FHAB CC(C)c1nccn1CCC(=O)N1CCC[C@H]1COc1ccc(F)cc1 585080278 XUXCNBFCOGLCDT-KRWDZBQOSA-N 359.445 3.606 0 40 FHAB O=C(O)c1cc(NC(=O)C2(c3ccccc3)CCOCC2)ccc1Cl 642297350 FLONUXJYSWXOGE-UHFFFAOYSA-N 359.809 3.725 0 40 FHAB O=C(Cc1noc2ccccc12)N1CCC(c2ccc3cccnc3n2)CC1 655265832 MADKPWLNPONQID-UHFFFAOYSA-N 372.428 3.720 0 40 FHAB O=C(O)[C@@H]1CCN(C(=O)c2csc(Br)c2)[C@H]2CCCC[C@H]21 659194342 LSUBVTRKNHQJGP-TUAOUCFPSA-N 372.284 3.616 0 40 FHAB CN(C)c1cccc(CN2CCN(c3nsc4ccccc34)CC2)c1 1141259192 GJGJHVJCMREAAQ-UHFFFAOYSA-N 352.507 3.685 0 40 FHAB COc1ccccc1C1=NN(C(=O)CCCC(=O)O)[C@@H](c2ccccc2)C1 1554503171 MQHHJCHWZPCBCA-GOSISDBHSA-N 366.417 3.628 0 40 FHAB C[C@H](NC(=O)c1cnn(C)c1Cc1ccccc1)c1cc2cnccc2o1 1596148368 RVQTYLGUCYWFMO-AWEZNQCLSA-N 360.417 3.643 0 40 FHAB CC(=O)N1CC2(CCN(Cc3cscn3)CC2)C[C@@H]1Cc1ccccc1 1615154981 IZXIASUJZFWRDJ-FQEVSTJZSA-N 369.534 3.589 0 40 FHAB CCSCc1nnc2sc(-c3ccc(Br)cc3)nn12 1772491373 HBUIVRACSQRVQD-UHFFFAOYSA-N 355.286 3.868 0 40 FHAB O=C(Nc1nccs1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 43160236 GLNIEWHDXCOWMR-HNNXBMFYSA-N 353.451 3.587 0 40 FHAB Cn1cnnc1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 24692606 VDADYRJLHWTZIP-UHFFFAOYSA-N 372.900 3.687 0 40 FHAB O=C(COC(=O)CCSc1ccccc1)N[C@@H]1CCCc2ccccc21 3222090 LXGRAOHUNVJKJU-LJQANCHMSA-N 369.486 3.906 0 40 FHAB CNC(=S)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 875489 CVQOVXKEENQYTJ-UHFFFAOYSA-N 357.523 3.784 0 40 FHAB COc1ccc(-c2nc3ccc(C)cn3c2NC[C@H]2CCCO2)c(OC)c1 883974 RHQLFKZLSWGKHK-MRXNPFEDSA-N 367.449 3.918 0 40 FHAB CC[C@H](CC(=O)N1CCC[C@@H](c2n[nH]c(=S)n2C)C1)c1ccccc1 78621846 XRKKTEKVYDOBRX-GDBMZVCRSA-N 358.511 3.768 0 40 FHAB COc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1Cl 1379615 AZVVTFXIUMISMV-MRXNPFEDSA-N 373.840 3.984 0 40 FHAB Cc1ccnn1[C@@H](C)c1nnc(Nc2ccn(Cc3ccccc3)n2)s1 2730110 SZUJLLZVSLCWCN-AWEZNQCLSA-N 365.466 3.641 0 40 FHAB CC(C)C(=O)Nc1ccccc1SCc1cc(=O)n2ccsc2n1 7007206 MTSJLZOAGWZVRS-UHFFFAOYSA-N 359.476 3.643 0 40 FHAB COc1cccc(CNn2c(C)n[nH]c2=S)c1OCc1ccc(F)cc1 7602694 UTBNJBWWXQMSMK-UHFFFAOYSA-N 374.441 3.720 0 40 FHAB CCc1cccc(C)c1NC(=O)CNc1cc(NC(C)=O)ccc1OC 7846790 YYGOCRMCHRCSCZ-UHFFFAOYSA-N 355.438 3.575 0 40 FHAB CN(C)c1cc(C(=O)O[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c2ccccc2n1 108396598 BRCKMYMYBDZUDL-MDASCCDHSA-N 354.450 3.661 0 40 FHAB CCOC(=O)c1ccc(NS(=O)(=O)Cc2cccc(Cl)c2)c(C)c1 10112383 QNRAJDCCLILDCJ-UHFFFAOYSA-N 367.854 3.767 0 40 FHAB Cc1nc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(C(C)C)s1 72402591 YEQUTGGJSYBRRF-UHFFFAOYSA-N 357.523 3.969 0 40 FHAB COc1cccc(-c2nnc3sc(-c4cccc(N(C)C)c4)nn23)c1 10311672 YBSUHUCYGUPCOI-UHFFFAOYSA-N 351.435 3.594 0 40 FHAB Cc1cccc2c(=O)n(CCCC(=O)N[C@H](C)c3ccc(F)cc3)cnc12 10745871 YXMZERLYCCPNCM-OAHLLOKOSA-N 367.424 3.502 0 40 FHAB Cc1cccc(OCC(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)c1 20609903 NPXQZNRWJROKHN-UHFFFAOYSA-N 358.401 3.746 0 40 FHAB O=C(Nc1nnc(Cc2ccccc2)s1)c1cc(-c2ccccc2)[nH]n1 21565229 RLDKXIXNVWDWKR-UHFFFAOYSA-N 361.430 3.771 0 40 FHAB CCOC(=O)[C@H]1CCCN(Cc2c(-c3ccccc3)nc3ccccn23)C1 29118227 KBJJIUNPHBSADN-SFHVURJKSA-N 363.461 3.776 0 40 FHAB Cc1nc(-c2ccccc2)ccc1C(=O)O[C@@H](C)C(=O)NC1CCCC1 12766343 XGPBAEGWVQMOCC-HNNXBMFYSA-N 352.434 3.661 0 40 FHAB O=C(COc1ncnc2c(Cl)cc(Cl)cc12)N1CCCCCC1 2640634 ICYJCGUSYUKUKR-UHFFFAOYSA-N 354.237 3.718 0 40 FHAB Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2cc(O)cc(O)c2)CC1 95983236 YDAOHZZCTQJEBW-UHFFFAOYSA-N 350.418 3.907 0 40 FHAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N1CC(=O)Nc2ccccc21 20487110 GUXOEYKKPWXHEH-LJQANCHMSA-N 360.413 3.983 0 40 FHAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccccc3OC(F)F)c2)n1 47317708 SZNAYYMYCJVWKB-UHFFFAOYSA-N 371.343 3.599 0 40 FHAB c1ccc(Nc2nc(SCCN3CCOCC3)nc3ccccc23)cc1 12544088 YIIOGHADXQAALC-UHFFFAOYSA-N 366.490 3.798 0 40 FHAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccccc1Br 12755200 BDDPLTKBPROBIG-UHFFFAOYSA-N 373.250 3.757 0 40 FHAB CCC(CC)[C@H](NCc1cnc(N2CCOCC2)nc1)c1ccccc1 48302018 ZHLGSTICBLSHLO-FQEVSTJZSA-N 354.498 3.580 0 40 FHAB Cc1cccc(C(=O)OCC(=O)Nc2ncc(Cl)c(C)c2Cl)c1 3442789 FWHOICDHBCBPBR-UHFFFAOYSA-N 353.205 3.801 0 40 FHAB O=C1CN(C(=O)c2cc(Br)ccc2Cl)c2ccccc2N1 12911803 BSAMDMUMZYLCOZ-UHFFFAOYSA-N 365.614 3.701 0 40 FHAB O=C(CSCCOc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 12927054 OSANRAOPVPLXCW-UHFFFAOYSA-N 365.838 3.819 0 40 FHAB COCCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nc2ccccc21 38141724 COSIPPOESYNYKX-HNNXBMFYSA-N 369.490 3.652 0 40 FHAB O=C(OC1CCCCC1)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 4174401 VWHFQKYNWMUPLL-QXGSTGNESA-N 367.445 3.712 0 40 FHAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)CC1=O 5002148 AKXRNLSIDCEAJZ-ZDUSSCGKSA-N 358.825 3.649 0 40 FHAB O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccccc1OC(F)F 5079583 UVNBNCCHYYBSSZ-UHFFFAOYSA-N 372.327 3.632 0 40 FHAB Cc1cc(Sc2nc(Oc3ccccc3)nc(N(C)C)n2)nc(Cl)n1 13722118 HKMTYEKOXTZJHM-UHFFFAOYSA-N 374.857 3.633 0 40 FHAB Brc1cncc(-c2nnc3sc(-c4cccs4)nn23)c1 13731004 KDVOGBUAAYSQKX-UHFFFAOYSA-N 364.253 3.739 0 40 FHAB CN(CCc1ccc(F)cc1)C(=O)c1[nH]nc(C2CC2)c1Br 65109082 SDHGTRHTDPTUJP-UHFFFAOYSA-N 366.234 3.503 0 40 FHAB O=C(O)c1cc(S(=O)(=O)Nc2ccccc2-c2ccccc2)ccc1F 7057200 ADQSQIKOSIVSHI-UHFFFAOYSA-N 371.389 3.992 0 40 FHAB C[C@@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1ccccc1F 7689217 ZJBFUEGIXNSZGJ-NSHDSACASA-N 350.440 3.817 0 40 FHAB Cc1ccc(-c2cc(NC(=O)CN3CCC[C@@H]3c3cccn3C)on2)cc1 7855421 LZBDOLGHMZDYDT-LJQANCHMSA-N 364.449 3.764 0 40 FHAB CCN1CCN(c2ccc(NC(=O)/C=C/c3cccs3)cc2C)CC1 16299703 KUOMDAYYTLDVHB-VQHVLOKHSA-N 355.507 3.850 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 8277393 HVKDFWZTBVWHBO-RDTXWAMCSA-N 362.901 3.887 0 40 FHAB Cc1cc2nc(C)c(CCC(=O)NCCc3ccc(Cl)cc3)c(C)n2n1 8275488 PKYOIWYVVDRSMF-UHFFFAOYSA-N 370.884 3.599 0 40 FHAB CCc1ccc2oc(C(=O)/N=c3/[nH]c4ccc(F)cc4s3)cc(=O)c2c1 16995446 WEVQXQMQFMXJHO-UHFFFAOYSA-N 368.389 3.778 0 40 FHAB COc1ccc(Nc2nc(Cn3nnc(-c4cccs4)n3)cs2)cc1 8707948 KHYSBDWMOCKQQC-UHFFFAOYSA-N 370.463 3.659 0 40 FHAB O=C1c2ccccc2N[C@H](c2cnn(-c3ccccc3)n2)N1C1CCCC1 8719572 BNNJFKJUOGIFHV-FQEVSTJZSA-N 359.433 3.776 0 40 FHAB Cc1c(Cl)cccc1NCC(=O)N1c2ccccc2NC(=O)C1(C)C 8852044 KNPRFMQCTBIJFT-UHFFFAOYSA-N 357.841 3.824 0 40 FHAB C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CC(=O)Nc2ccccc21 9049858 QKGJDJPSZXFMBM-LLVKDONJSA-N 369.471 3.762 0 40 FHAB COc1ccc([C@@H]2CCCCCN2Cc2cc(=O)n3ccsc3n2)cc1 9913997 AWTKPJCACNPHSN-SFHVURJKSA-N 369.490 3.882 0 40 FHAB COc1ccc(OC)c(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)c1 22540265 TXNDBCPACNKMDR-OAHLLOKOSA-N 363.479 3.669 0 40 FHAB CC(=O)N1CCC2(CC1)Oc1ccccc1-c1ncn(CC3CCC3)c12 306141408 VUXRUSYNDKGLCB-UHFFFAOYSA-N 351.450 3.580 0 40 FHAB O=C(NC(=S)Nc1ccc(Br)cc1F)c1cccc(F)c1 408626873 JBEUDGVLXDJRTD-UHFFFAOYSA-N 371.206 3.854 0 40 FHAB O=S(=O)(Nc1ccc(Br)c2cccnc12)c1cccs1 28232904 UOVCVKPHPHBKEG-UHFFFAOYSA-N 369.265 3.860 0 40 FHAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NCc5cncn5C)(C4)C2)C3)cc1 519792075 NWVJFUJKFTXOAZ-YUOVDFJASA-N 363.505 3.883 0 40 FHAB Cc1ccccc1CSCCNS(=O)(=O)c1ccc(Cl)cc1 409025897 ZUEPUKXYJAWTML-UHFFFAOYSA-N 355.912 3.860 0 40 FHAB COC(=O)c1cccc2nc([C@H]3CCN(Cc4cccc(OC)c4)C3)oc12 35446948 TYEJTJPQZLTUNL-HNNXBMFYSA-N 366.417 3.613 0 40 FHAB biogenic,in-vitro Cc1nn(C)cc1CN1CCC[C@H](c2cccc(Nc3ccccn3)n2)C1 72376037 JPPUMDZBIXZKKQ-KRWDZBQOSA-N 362.481 3.642 0 40 FHAB O=c1n(Cc2cccc(C(F)(F)F)c2)nc(C2CC2)n1-c1ccccc1 75165354 KKDMDWHQMUCNOB-UHFFFAOYSA-N 359.351 3.979 0 40 FHAB CCN1C[C@H](CN(C)C(=O)C23CC4CC(CC(C4)C2)C3)Oc2ccccc21 36394420 IJRHPSYPIDWXJJ-HJGBXLFDSA-N 368.521 3.949 0 40 FHAB CN(CCOc1ccc(F)cc1)C(=O)c1n[nH]c2c1C[C@H](C(C)(C)C)CC2 35316696 DZSWUAYURWIMBL-CQSZACIVSA-N 373.472 3.851 0 40 FHAB CCCCCNS(=O)(=O)c1ccc(NC2CCCCC2)c(C(=O)O)c1 217648824 NSOMBFCMFMIQLB-UHFFFAOYSA-N 368.499 3.598 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)c1 40088093 XWKFQUQGKKETMS-IBGZPJMESA-N 372.396 3.755 0 40 FHAB O=c1cc(-c2ccccn2)nc2n(Cc3ccc(F)cc3)c3ccccc3n12 40485157 DFUBGQLYTPENKU-UHFFFAOYSA-N 370.387 3.899 0 40 FHAB CCCC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NCC 223268892 DKJOMLOHSXSMBF-OAQYLSRUSA-N 366.505 3.871 0 40 FHAB Cc1ccc(C)c(NC(=S)NCc2ccc(CN3CCCC3=O)cc2)c1 225647951 VCRIXKIZBOPPQA-UHFFFAOYSA-N 367.518 3.912 0 40 FHAB O=C(Nc1cc(N2CCCC2)ncn1)C1c2ccccc2Oc2ccccc21 77200524 BMILVSBYXDDBPB-UHFFFAOYSA-N 372.428 3.953 0 40 FHAB O=C(NC[C@@H](O)c1csc2ccccc12)c1nc2ccccc2s1 225692996 YSJBNWBASPQKNN-CQSZACIVSA-N 354.456 3.974 0 40 FHAB C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccccc1N1CCc2ccccc21 68788842 AAQOLBQMXQFBFY-WMZOPIPTSA-N 366.461 3.903 0 40 FHAB CC(C)(C)C(=O)NC1CCN(Cc2ccccc2Br)CC1 1203327273 JFYZVVPOAURMHR-UHFFFAOYSA-N 353.304 3.576 0 40 FHAB C[C@@H]1CCCN(CCCCNC(=O)c2ccc(F)cc2Br)C1 46991395 JNYISLPIQDXVMT-CYBMUJFWSA-N 371.294 3.830 0 40 FHAB O=C(NCc1cccnc1-c1cccs1)c1ccc2nsnc2c1 225759662 YXDHDJQTYAKPIL-UHFFFAOYSA-N 352.444 3.745 0 40 FHAB CC(C)Nc1nc(N2CCCC2)nc2c1CN(Cc1ccsc1)CC2 96254247 YIUZOPGHFXHUFG-UHFFFAOYSA-N 357.527 3.517 0 40 FHAB Cc1ccc(CN2CCC3(CC2)CN(c2ccsc2)C(=O)CO3)s1 96049249 UXIMTHVKTQFJCT-UHFFFAOYSA-N 362.520 3.516 0 40 FHAB Cc1ccc(CCCC(=O)N2CCN(Cc3cccc(F)c3)CC2)s1 257173175 FSPIQUNTLUEJFN-UHFFFAOYSA-N 360.498 3.863 0 40 FHAB Cc1scc(C(=O)N2CCCC[C@H]2c2nnc(-c3cnccn3)o2)c1C 257277623 NYTKDMXWDJWBCV-HNNXBMFYSA-N 369.450 3.572 0 40 FHAB CNc1cncc([C@H]2CCCN2C(=O)c2cc(C3CCCCC3)no2)n1 257226967 FNAMJDOXWLOAFD-MRXNPFEDSA-N 355.442 3.531 0 40 FHAB C[C@@H]1CCc2ccccc2N1CCNC(=O)c1cc(-c2cccs2)[nH]n1 1160572769 VHXBBASMRHWGMW-CQSZACIVSA-N 366.490 3.709 0 40 FHAB CN(CCc1ccccn1)c1ncccc1CNc1ccc(Cl)cn1 67447412 SRYPYZQVUWHQJE-UHFFFAOYSA-N 353.857 3.816 0 40 FHAB COC(=O)c1cc(NCc2nc3c(s2)CCCC3)c2ncccc2c1 1183980510 CTIWRXNLTNSIPE-UHFFFAOYSA-N 353.447 3.969 0 40 FHAB CSCc1cccnc1C(=O)NC[C@H]1CCO[C@@H]1c1ccc(F)cc1 1614995792 INUKRKGDUVTSAB-RDTXWAMCSA-N 360.454 3.591 0 40 FHAB C[C@@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)Cc1ccc(N)cn1 639018385 HLPROKAXOYYXJT-SFHVURJKSA-N 363.383 3.763 0 40 FHAB CO[C@@H]1CCN(c2ccc(NC(=O)CSCc3ccccc3)cc2)C1 96122217 IOIDCVBJSPLMSV-LJQANCHMSA-N 356.491 3.784 0 40 FHAB Cc1ccc(NC(=O)Cc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc1 55494344 MDGADYHGTQVRAY-GFCCVEGCSA-N 367.474 3.599 0 40 FHAB Cc1ccc(N2CCC[C@H](C(=O)N3c4ccc(F)cc4CC[C@H]3C)C2)nn1 585234401 PNDNWQJWBCCUGH-WBVHZDCISA-N 368.456 3.508 0 40 FHAB COc1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1OC(C)=O 1511326 XXQXXQDRUCJXQH-DHDCSXOGSA-N 371.776 3.618 0 40 FHAB O=c1c2c3c(sc2n2cnnc2n1-c1ccc(Cl)cc1)CCCC3 5100560 RXBOXYZVXQPNQR-UHFFFAOYSA-N 356.838 3.627 0 40 FHAB C[C@H](OC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1nnc(-c2ccccc2)o1 5318230 UCXQNOVZQBQTBN-NTQSIJHJSA-N 354.406 3.736 0 40 FHAB CCC[C@H](NC(=O)[C@@]1(C)CC(=O)N=C2C=C(C)C=CN21)c1cccs1 12200177 MMDNPXAGESMVBY-IFXJQAMLSA-N 357.479 3.569 0 40 FHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc2c(c1)OCO2 12586642 JPUQYPULZQTDSH-UNEWFSDZSA-N 362.422 3.576 0 40 FHAB CCc1cc(OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)ccc1Cl 14279759 OSEWJPKDNWLIAC-UHFFFAOYSA-N 360.841 3.622 0 40 FHAB Cc1ccc(C(=O)Nc2ccc(C(=O)Nc3c(C)n[nH]c3C)cc2)s1 14404511 QRFNEHMBZSYNIL-UHFFFAOYSA-N 354.435 3.901 0 40 FHAB Cc1ccn(C[C@H](C)C(=O)N[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)n1 19238021 RUXDNAHKRRJWBA-JDCPMNFLSA-N 351.494 3.916 0 40 FHAB CC(C)c1nccn1CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C 19454416 HCPOVLATIYURIR-FQEVSTJZSA-N 371.481 3.681 0 40 FHAB CCCn1nc(C)c(CN(Cc2ccccn2)C[C@H]2CCCN2CC)c1C 19525840 AAIROKZFBDGWML-OAQYLSRUSA-N 369.557 3.791 0 40 FHAB COc1ccccc1CN1CCO[C@@H](c2cc3cc(F)ccc3cn2)C1 19570522 BWUPXDBCPXGFIW-OAQYLSRUSA-N 352.409 3.956 0 40 FHAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C(C)C)CC2)n1 100738802 YFUHUSBAVNJXQB-MAEOIBBWSA-N 352.482 3.893 0 40 FHAB CCCCNC(=O)CSc1nnc(Nc2cccc(C)c2C)s1 3463273 PQZHBLZJYPCZCT-UHFFFAOYSA-N 350.513 3.907 0 40 FHAB CCOC(=O)c1sc2nc([C@@H](C)Nc3ccccc3)[nH]c(=O)c2c1C 7002400 NCHRUONLLRIOKM-LLVKDONJSA-N 357.435 3.643 0 40 FHAB Cc1ccc(C)c([C@@H](C)NC(=O)Cc2ccc(N3CCCC3=O)cc2)c1 15025055 JCMWGBSQXRPNLX-QGZVFWFLSA-N 350.462 3.850 0 40 FHAB COc1cc(OC)c(OC)cc1CNCc1ccc(Br)cc1 22793054 SIZJBRIDRRAWHE-UHFFFAOYSA-N 366.255 3.765 0 40 FHAB NC(=O)[C@@H](Nc1ccc2nc(N3CCCC3)sc2c1)c1ccccc1 26225984 YSEQDELZWBZNQN-KRWDZBQOSA-N 352.463 3.535 0 40 FHAB COc1ccc(-c2nsc(SCC(=O)N3CCCCCC3)n2)cc1 3007354 TZJYBNDUBUZCDC-UHFFFAOYSA-N 363.508 3.708 0 40 FHAB Cc1ccc(NC(=O)CN2CCC(c3nc4ccccc4[nH]3)CC2)c(C)c1 4315068 FUJNJMOZGGGICE-UHFFFAOYSA-N 362.477 3.998 0 40 FHAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cccc(F)c1 6494225 BXJUOEZUIVQFDK-UHFFFAOYSA-N 356.378 3.973 0 40 FHAB O=C(C1CCCC1)N1CCc2ccc(NS(=O)(=O)c3ccccc3)cc21 13696304 JOJAEEJEFNKHDX-UHFFFAOYSA-N 370.474 3.567 0 40 FHAB C[C@H]1CC[C@H](C(=O)N2CCC3(CC2)CO[C@H](COc2ccccn2)C3)CC1 2055806604 XGAFXVRIHSKYCK-FHWLQOOXSA-N 372.509 3.684 0 40 FHAB CC(C)(C)c1ccc(OCC2CCN(Cc3cc(C4CC4)on3)CC2)nn1 1775966149 UHNRVGCFSNBDDD-UHFFFAOYSA-N 370.497 3.931 0 40 FHAB O=C(Nc1cc2c3c(c1)CCN3C(=O)CC2)c1ccccc1Br 5153384 XQZIEUZNEZPUKF-UHFFFAOYSA-N 371.234 3.537 0 40 FHAB O=c1cc(CN2CCc3sccc3[C@@H]2c2ccccc2)nc2ccccn12 23039911 WLSFXSUDEHUPFG-QFIPXVFZSA-N 373.481 3.904 0 40 FHAB Cc1ccc(-c2cnc(CCC(=O)N(C[C@@H]3CCOC3)C3CC3)o2)cc1C 40107944 FZQVLLPFVQLJJS-KRWDZBQOSA-N 368.477 3.919 0 40 FHAB O=C(CSCc1csc(-c2ccco2)n1)NCCc1ccccc1 31420465 RNFLVBQLAVOOBT-UHFFFAOYSA-N 358.488 3.995 0 40 FHAB O=C1Nc2ccccc2CC[C@@H]1Sc1nc(Cc2cccs2)n[nH]1 20723740 VAMGNSSQSTUCFM-AWEZNQCLSA-N 356.476 3.503 0 40 FHAB COc1cccc(NC(=O)[C@@H]2CC(O)=Nc3cc(-c4ccccc4)nn32)c1 20723171 YMDJPGCBQRXJJQ-KRWDZBQOSA-N 362.389 3.730 0 40 FHAB Cc1cc(OCC(=O)Nc2ccnn2Cc2ccco2)cc(C)c1Cl 32593299 MDCNODBMQMJKJZ-UHFFFAOYSA-N 359.813 3.812 0 40 FHAB CCOC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3csc(C)n3)cc2)C1 32764530 UAGNGDSIKUBREU-OAHLLOKOSA-N 373.478 3.926 0 40 FHAB Cc1ccc(-c2csc3ncnc(NC[C@@H]4COCCO4)c23)cc1C 52490320 CBIWBPDCMMOAKZ-OAHLLOKOSA-N 355.463 3.802 0 40 FHAB Cc1ccc(S(=O)(=O)NCCCOCc2ccccc2)c(Cl)c1 32901262 ROUQXXZJBMAZAG-UHFFFAOYSA-N 353.871 3.534 0 40 FHAB COC(=O)C[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1cccs1 32900545 DEKQLNIESGWTPT-CYBMUJFWSA-N 355.818 3.504 0 40 FHAB COc1ccc(C(=O)Nc2sc(Cc3ccccc3)cc2C(N)=O)cc1 648270 QTGIWKPMRFQEEL-UHFFFAOYSA-N 366.442 3.699 0 40 FHAB COc1ccccc1NC1=C(Cl)C(=O)N(c2cccc(C)c2C)C1=O 941806 JEHPRIZWSGDISP-UHFFFAOYSA-N 356.809 3.748 0 40 FHAB c1ccc2sc(CN3CCN(c4ncnc5sccc45)CC3)nc2c1 23936295 KWJXTZQYIFRPEM-UHFFFAOYSA-N 367.503 3.623 0 40 FHAB CCc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)O)cc1 80799 HCMTWVWSTHQKRG-IBGZPJMESA-N 350.418 3.792 0 40 FHAB CCSc1n[nH]c2nc3c(c(=O)n12)C1(CCCCC1)Cc1ccccc1-3 100512568 CVAFMZFGNMLJEQ-UHFFFAOYSA-N 366.490 3.955 0 40 FHAB Cc1cc2ccccc2n2c(SCC(=O)NCc3ccccc3)nnc12 877042 JLDAVJNZIXRIDY-UHFFFAOYSA-N 362.458 3.599 0 40 FHAB O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1087736 WHSRCGKNQMNARH-CYBMUJFWSA-N 363.244 3.981 0 40 FHAB O=C(O[C@H](C(=O)NCc1cccs1)c1ccccc1F)c1ccco1 1381220 SAZMMYOHFUCBND-INIZCTEOSA-N 359.378 3.695 0 40 FHAB COc1ccccc1OC[C@@H](O)CN(Cc1ccco1)Cc1cccs1 31815760 CRSAWGFFSVOTPO-INIZCTEOSA-N 373.474 3.792 0 40 FHAB CCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12 11691651 SVNOBVJYQMVZPK-UHFFFAOYSA-N 370.430 3.538 0 40 FHAB O[C@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CCCC1 4194895 LAOSKVNPBIXSAK-FCSDKFEESA-N 355.522 3.990 0 40 FHAB CCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(Cl)cc1Cl 4369598 OYVMCXDTJSXQRF-CQSZACIVSA-N 367.236 3.827 0 40 FHAB Cc1ccc(NC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)cc1 4375272 GJACQZJQFXJJLT-UHFFFAOYSA-N 351.450 3.730 0 40 FHAB C[C@@H](OC(=O)c1ccccc1OCc1ccc(Cl)cc1)C(=O)NC1CC1 4978214 IWBRZUOHMUQUEW-CYBMUJFWSA-N 373.836 3.743 0 40 FHAB CCCN1C(=O)S[C@H](Cc2cc(Br)ccc2OCC)C1=O 6879251 IEERXTHXEKKTMY-CYBMUJFWSA-N 372.284 3.864 0 40 FHAB COc1ccc(C(=O)N(Cc2cccc3[nH]ccc23)C2CC2)c(OC)c1 32103749 RZBGETWVOZYEKK-UHFFFAOYSA-N 350.418 3.990 0 40 FHAB Cc1ccc(-c2noc(CN(C)C(=O)CCCOc3ccccc3)n2)cc1 7759818 ZTDXSXLACMUQKI-UHFFFAOYSA-N 365.433 3.863 0 40 FHAB O=C(CN1CCCCCC1)Nc1ccccc1C(=O)Nc1ccccc1 7781753 QUMVRSYTGAFACI-UHFFFAOYSA-N 351.450 3.753 0 40 FHAB C[C@@H]1CCCC[C@@H]1N/C=C1/C(=O)N(c2ccccn2)C(=O)c2ccccc21 20815787 IUTCKRSRINVQCS-JVXIPJBUSA-N 361.445 3.778 0 40 FHAB CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(C)cc4)c3)nn12 8071417 VZBQLORUVJQIQW-UHFFFAOYSA-N 363.446 3.976 0 40 FHAB C[C@H](NC(=O)CSc1nnc(-c2cccs2)[nH]1)[C@H]1C[C@H]2CC[C@H]1C2 102277713 CZXZTPSOFLBYTN-ZDEQEGDKSA-N 362.524 3.566 0 40 FHAB CC(C)C[C@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)N1CCCCC1 41264784 SSZQNTGDLBAGLS-INIZCTEOSA-N 351.878 3.889 0 40 FHAB COc1ccc(-n2nnnc2/C=C\Nc2ccc(Br)cc2)cc1 100209586 MUPDWECSFNZALJ-KHPPLWFESA-N 372.226 3.516 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1C[C@H](C)O[C@H](C)C1 21821914 KZLBUNHDVGQCJK-LLGFUMIMSA-N 368.477 3.793 0 40 FHAB Cc1ccc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)c(O)c1 22024186 NKEPZWHOQRAGNQ-UHFFFAOYSA-N 371.414 3.520 0 40 FHAB CSc1ncc(C(=O)N(C)Cc2ccc(O)cc2)n1-c1ccccc1 41677586 LHKYEYIDPBITJT-UHFFFAOYSA-N 353.447 3.572 0 40 FHAB Cc1ccc(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 2734852 SBUISHYOUSIRIU-UHFFFAOYSA-N 362.395 3.905 0 40 FHAB O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C/c1ccc(Br)cc1 725755 UJSKKQXTODSNPF-NTUHNPAUSA-N 372.174 3.522 0 40 FHAB O=C(Nc1ccc(F)cc1)c1cccc(C(=O)Nc2ccc(F)cc2)n1 876231 ZGIXWGWOAVDYNZ-UHFFFAOYSA-N 353.328 3.864 0 40 FHAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1Nc1c(Cl)cc(Cl)cc1Cl 104246012 VJMRSAOJZSLDHY-JTNSGFRCSA-N 357.624 3.781 0 40 FHAB CCOc1ccc(N2C[C@@](O)(c3cccs3)[N+]3=C2CCCCC3)cc1 2974618 XWTCQVMZOHWQIX-HXUWFJFHSA-N 357.499 3.797 0 40 FHAB Cc1cc(C(=O)NCc2cc(F)cc(F)c2)c(C)n1Cc1ccccn1 24772840 YVGGJWWFZQSFBO-UHFFFAOYSA-N 355.388 3.756 0 40 FHAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)NCc1ccccc1F 106558958 NTJYWXZZJOICOT-FXAWDEMLSA-N 353.441 3.652 0 40 FHAB Cc1cc(O)cc2c1[C@H](c1ccccc1)C[C@]1(CC(C)(C)NC(=S)N1)O2 1441335 IPBDAKITJGHCCH-HRAATJIYSA-N 368.502 3.958 0 40 FHAB CCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)O)c2C)cc1OC 20151136 ULFILGRIGIBXME-PKNBQFBNSA-N 355.390 3.752 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)cc1 28188987 KJCYABKIWSMCOE-CYBMUJFWSA-N 357.435 3.532 0 40 FHAB O=C(Nc1ccc(N2CCCC2)cn1)c1cc(Cl)c2c(c1)OCCCO2 25663155 PUTYBIDGOBBTNR-UHFFFAOYSA-N 373.840 3.749 0 40 FHAB Cc1ccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)c(O)c1 8378778 PCGXXMAXKBUYQT-UHFFFAOYSA-N 374.849 3.937 0 40 FHAB CCCc1cc(=O)oc2cc(OCCn3c(=O)oc4ccccc43)ccc12 26028919 NPZHRYZFWPMQSJ-UHFFFAOYSA-N 365.385 3.732 0 40 FHAB CCOc1ccccc1N1CCN(CC(=O)c2ccc(Cl)cc2)CC1 67206410 MRURUFCTJQJEDS-UHFFFAOYSA-N 358.869 3.744 0 40 FHAB CC(=O)N1CCc2cc(NCc3cc(=O)oc4c(C)c(C)ccc34)ccc21 12543318 OMRCKIFBFMJNTR-UHFFFAOYSA-N 362.429 3.931 0 40 FHAB CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccccc1Cl)c1cccs1 10081282 UTAKKQFFHIQUNH-NHYWBVRUSA-N 350.871 3.846 0 40 FHAB COc1ccc(NC(=O)COC(=O)c2c(F)cccc2Cl)cc1Cl 3230225 PTDZEUJPFGSHBT-UHFFFAOYSA-N 372.179 3.937 0 40 FHAB CCCNC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 2179448 QXGNNQBRXNALCC-NRFANRHFSA-N 368.502 3.643 0 40 FHAB CC[C@H](CNC(=O)Cc1c[nH]c2ccccc12)N1CCc2ccccc2C1 29909073 SZGZAAKRJRXDIO-HXUWFJFHSA-N 361.489 3.664 0 40 FHAB COc1ccc(Cc2nnc3sc(-c4cccc(F)c4)nn23)cc1OC 10311755 AWSVXULBDJYGFJ-UHFFFAOYSA-N 370.409 3.600 0 40 FHAB O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc2c(c1)CCC2 58394121 CZWFOQKDBUQDKN-UHFFFAOYSA-N 352.453 3.709 0 40 FHAB COc1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1 12687321 HKGSNUWDZCPKQB-UHFFFAOYSA-N 351.406 3.692 0 40 FHAB CC(=O)Nc1ccc(NCC(=O)N[C@H]2CCCC[C@@H]2C)c(C(F)(F)F)c1 36391572 HEJJYSQUGSPTSP-NHYWBVRUSA-N 371.403 3.771 0 40 FHAB CC(C)c1ccccc1NC(=O)CNc1ccccc1C(=O)NC1CC1 10762687 NOVYWTOMACBERB-UHFFFAOYSA-N 351.450 3.753 0 40 FHAB CCN(CC(=O)NC(C)(C)C)c1ncnc2sc3c(c12)CC[C@H](C)C3 3388942 VUOJMUFHTOYMLR-LBPRGKRZSA-N 360.527 3.557 0 40 FHAB CC(C)n1ncc2c(C(=O)N3C[C@H](C)O[C@H](C)C3)cc(-c3ccco3)nc21 12851095 PSMYRAOWEUXVDL-OKILXGFUSA-N 368.437 3.522 0 40 FHAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[C@@H](O)c1ccccc1)C2=O 12863330 BHXKWEHEEATETC-BQIYRTECSA-N 358.482 3.637 0 40 FHAB CC(=O)Nc1ccc(C(=O)COC(=O)/C=C/c2cccc3cccnc23)cc1 12928045 OXTZGQDJHMNKHQ-FMIVXFBMSA-N 374.396 3.633 0 40 FHAB CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ncc(C)s2)CC1=O 13005959 KWJJZZBKOWMXFR-TZMCWYRMSA-N 357.479 3.957 0 40 FHAB CC1CCN(CCCCNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)CC1 71185991 PRRXSGRSSPWPMJ-UHFFFAOYSA-N 372.538 3.777 0 40 FHAB COc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C(C)C)cc1 13470737 SYNOVPZHSBTBJU-UHFFFAOYSA-N 350.418 3.726 0 40 FHAB CCCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)cc1C 5017238 UZEIOKASILYBCW-UHFFFAOYSA-N 370.478 3.869 0 40 FHAB Cc1ccn2cc(-c3cccc(S(=O)(=O)N4CCC[C@H](C)C4)c3)nc2c1 6163807 KVHANWMAAFWQDA-INIZCTEOSA-N 369.490 3.730 0 40 FHAB O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1cc(=O)c2ccccc2o1 39994020 NUDFEEICMYULDR-UHFFFAOYSA-N 371.396 3.720 0 40 FHAB CCCOC(=O)c1ccc(NC(=O)N2CC[C@H](Nc3ccccc3)C2)cc1 65586115 DBZVCRKBSWNTCC-IBGZPJMESA-N 367.449 3.972 0 40 FHAB O=C(COc1ccc(F)cc1Cl)NCc1ccccc1OC(F)F 14127377 MVVZHJKCOZBIHB-UHFFFAOYSA-N 359.731 3.776 0 40 FHAB Cc1cc(C)c(OCC(=O)O[C@@H](C)C(=O)Nc2ccccc2F)c(C)c1 6551562 KQYWNPDSFFXGHU-HNNXBMFYSA-N 359.397 3.700 0 40 FHAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2cccc(Cl)c2C)c1C 6509186 CQYVFJIRVFCASP-UHFFFAOYSA-N 353.827 3.764 0 40 FHAB CCc1cccc2c(C(=O)CN3C(=O)CC4(CCCCC4)C3=O)c[nH]c12 8776191 VSYBRSPLDYSURJ-UHFFFAOYSA-N 352.434 3.622 0 40 FHAB CN(c1cnn(-c2ccccc2)c(=O)c1Br)C1CCCCC1 6662049 VNOJUIFPOCJOFR-UHFFFAOYSA-N 362.271 3.764 0 40 FHAB CCOC(=O)Cc1csc(S[C@@H](C)C(=O)Nc2ccc(C)cc2)n1 6612779 PBGUVYVZDDVFKT-LBPRGKRZSA-N 364.492 3.676 0 40 FHAB Cc1cc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c2ccccc2n1 14622984 MHIZXZLJHKVKIG-UHFFFAOYSA-N 374.849 3.852 0 40 FHAB CSc1ccc(C(=O)CSc2nnc(C)s2)cc1NC(C)=O 9113487 UBAQRWYWAHJKOG-UHFFFAOYSA-N 353.494 3.502 0 40 FHAB CCC(=O)c1ccc(OS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1 24241816 ZYNUMQNZXATSCR-UHFFFAOYSA-N 374.336 3.946 0 40 FHAB CCOc1ccc(NS(=O)(=O)c2ccccc2Br)cc1 7053219 UNHJEONQQOVZGY-UHFFFAOYSA-N 356.241 3.649 0 40 FHAB C[C@@H]1Oc2ccc(-c3csc(NC(=O)C(C)(C)C)n3)cc2N(C)C1=O 19796647 SJNIPNUPWXXLCN-JTQLQIEISA-N 359.451 3.538 0 40 FHAB O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(OC(F)(F)F)cc1 8938335 LUVYLSQQFPKDOL-UHFFFAOYSA-N 364.323 3.730 0 40 FHAB O=C1Cc2cc(S(=O)(=O)Nc3ccc(-c4ccccc4)cc3)ccc2N1 7927725 AATHTRNBJRFACI-UHFFFAOYSA-N 364.426 3.649 0 40 FHAB CCc1cc(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)sc1C 8087463 BZZPQCXGUDFOGK-UHFFFAOYSA-N 366.508 3.558 0 40 FHAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C 8132513 QGCZVMRHQAAXNG-UHFFFAOYSA-N 370.268 3.957 0 40 FHAB O=C(Cc1csc(NC(=O)C2CC2)n1)Nc1cccc(C(F)(F)F)c1 9659523 INVDQXHTPRCAAX-UHFFFAOYSA-N 369.368 3.692 0 40 FHAB COc1c(C)cnc(CN(C)C(=O)c2cc3c(cc2O)CCCC3)c1C 84258014 APGLQGIUIFPORO-UHFFFAOYSA-N 354.450 3.564 0 40 FHAB COc1ccc(CCC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1OC 20484430 NNBXXZBTVDWOHZ-AWEZNQCLSA-N 373.449 3.531 0 40 FHAB O=C(NCc1ccccc1-n1ccnc1)[C@H]1C[C@@H]1c1cccc(Cl)c1 84504753 LFNMTNLGFXSFNG-MSOLQXFVSA-N 351.837 3.946 0 40 FHAB Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1cc2ccccc2oc1=O 95369464 NMLDGUCKEWAGBZ-OAHLLOKOSA-N 351.402 3.607 0 40 FHAB CC(=O)Nc1ccc(C)c(NCCCS(=O)(=O)c2ccc(C)cc2)c1 95460365 JNKGQIHZYQOXPO-UHFFFAOYSA-N 360.479 3.538 0 40 FHAB Cc1ccc(N2C[C@@H](C(=O)NCCCCc3ccccc3)CC2=O)cc1C 408709173 YIQCLONNXPSGMO-FQEVSTJZSA-N 364.489 3.795 0 40 FHAB Cc1cccc(N2C[C@@H](C(=O)NC[C@H](C)c3ccccc3)CC2=O)c1C 23444673 GRLDDMHKLSNXBJ-LPHOPBHVSA-N 350.462 3.576 0 40 FHAB O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2CN(Cc3ccco3)C[C@H]21 306143539 YFBHLAYSUFOAED-PKOBYXMFSA-N 371.483 3.763 0 40 FHAB Cc1ccc2sc(CN3C(=O)C[C@H](Cc4ccc(F)cc4)C3=O)nc2c1 530102123 BRFZQKVTBYJYDX-AWEZNQCLSA-N 368.433 3.862 0 40 FHAB Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c1 30763395 AKQUCYAJSJSFTF-UZLBHIALSA-N 366.461 3.912 0 40 FHAB COc1ccc(Oc2nccnc2[C@@H]2CCCN(C(=O)C(C)C)C2)cc1 72361914 SBUQZBFVSWGBBI-OAHLLOKOSA-N 355.438 3.640 0 40 FHAB O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1c(F)cccc1Cl 70762247 XKGWAKDIBKBUNL-HNNXBMFYSA-N 361.722 3.659 0 40 FHAB C[C@@H]1C[C@@H](OC[C@H](O)CN2C(C)(C)CC(O)CC2(C)C)CC(C)(C)C1 35031471 DBIRBMRBTJPLEL-KBAYOESNSA-N 355.563 3.593 0 40 FHAB Cc1ccc(NC(=O)CSCc2cc(=O)n3cc(Cl)ccc3n2)cc1 33026800 SELOXUIQPIEISW-UHFFFAOYSA-N 373.865 3.528 0 40 FHAB Cc1ccsc1CN1CCC(c2cc(O)nc(-c3ccccn3)n2)CC1 72392834 IGDPROFGDAUHJN-UHFFFAOYSA-N 366.490 3.994 0 40 FHAB CCOC(=O)/C=C/c1ccc(NC(=O)N2CCc3ccccc3C2)cc1 48065933 XUELFDVVVKLWAY-FMIVXFBMSA-N 350.418 3.853 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)NCc2ccnc(Oc3ccccc3)c2)c1C 40110561 RHYJBZLYLGOCFF-UHFFFAOYSA-N 363.417 3.951 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 224224460 FRHQVYCMBCTXQU-NRFANRHFSA-N 366.505 3.789 0 40 FHAB O=C(Cc1c(F)cccc1Cl)NC[C@H](c1ccsc1)N1CCC1 225594070 IGXUFTSORDMQHW-MRXNPFEDSA-N 352.862 3.646 0 40 FHAB Cc1cc(N2CCCC[C@@H]2C)nc(NC(=S)NCc2ccc(C)o2)n1 225916090 AFRSVAHLSJFYCK-ZDUSSCGKSA-N 359.499 3.552 0 40 FHAB Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCOCC3)cc2)c(C)c1 44935030 QNXMPWNEHZCGPU-SFHVURJKSA-N 352.478 3.627 0 40 FHAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1 225458344 XFEXSZPETQAEGZ-WIYYLYMNSA-N 366.505 3.951 0 40 FHAB CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 224720126 WSUKJCSSVWHNOK-UHFFFAOYSA-N 367.854 3.650 0 40 FHAB O=C(c1cccc(C(F)(F)F)c1)N1CC(COc2ccc(F)cc2)C1 225560592 AOSPHIHTVWEZRC-UHFFFAOYSA-N 353.315 3.996 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)cc1F 224393419 IKZMMNRQVKAWSK-UHFFFAOYSA-N 357.406 3.887 0 40 FHAB CCOC(=O)c1cc(NC(=O)c2ccc3c(c2)OCCO3)ccc1Cl 225400970 IJPPWWAYAFDCPQ-UHFFFAOYSA-N 361.781 3.540 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cccc(C)c1 222935437 QWLBOHULQYMCNQ-INIZCTEOSA-N 372.896 3.744 0 40 FHAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cccc(O)c2)S1 96118450 XZURIBFKYHJOOC-XJKSGUPXSA-N 373.478 3.898 0 40 FHAB Cc1ccc(C)c(C(=O)N2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)c1 98211710 FFLNCZUZQFCKNU-UHFFFAOYSA-N 360.461 3.656 0 40 FHAB Cc1nccc(C(=O)N2CCC[C@H](Cc3ccc4ncccc4c3)CC2)n1 257231554 GHGCJQXMLTVWCV-KRWDZBQOSA-N 360.461 3.818 0 40 FHAB CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCCN(CC(=O)O)[C@H]3C[C@@H]21 257268796 MNFXVQZBUKQHIV-ILXVDBEPSA-N 365.857 3.506 0 40 FHAB CCOCC(=O)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257247039 IXCXYMLFLNIDTA-HNNXBMFYSA-N 362.857 3.661 0 40 FHAB CCc1ccccc1NC(=O)[C@H](C)N1CCC(Oc2ccncc2C)CC1 585084831 SONYYBQGHUXQIE-KRWDZBQOSA-N 367.493 3.823 0 40 FHAB Cc1cnc(CN2CCC(c3ccnc(-c4c(C)noc4C)c3)CC2)cn1 257334645 YGUMMXYIFQKTJM-UHFFFAOYSA-N 363.465 3.831 0 40 FHAB Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)NCC3CC(C)C3)C2)cc1 621571929 UBQUQETVVAHSCZ-LXPRWKDFSA-N 372.513 3.584 0 40 FHAB C[C@@H]1NCCO[C@H]1c1ccc(-c2ccc(NC(=O)C(C)(C)C)nc2)cc1 629703436 JQMXRGFUVFCWTQ-IFXJQAMLSA-N 353.466 3.783 0 40 FHAB C[C@H](NCc1cnc2n1CCC2)c1cccc(NC(=O)c2ccccc2)c1 657308945 ZSSUFLOSMXHSMX-INIZCTEOSA-N 360.461 3.932 0 40 FHAB CCn1cc([C@@H]2OCC[C@H]2CN2CCC(Oc3ccc(F)cc3)CC2)cn1 667564660 UODWUVJRLUEJAF-HRAATJIYSA-N 373.472 3.663 0 40 FHAB CO[C@@H]1CCCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)C1 96122446 KZPGJPAGSAHSIO-LJQANCHMSA-N 374.868 3.973 0 40 FHAB Cc1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3cn[nH]c3)cs2)cc1 585295256 RUNGGPSSZAZBLD-QGZVFWFLSA-N 367.478 3.764 0 40 FHAB CC(C)NC(=O)N1CCN(c2nc3c(C(F)(F)F)cccc3s2)CC1 77101072 IBGXMLUWGJBPGU-UHFFFAOYSA-N 372.416 3.555 0 40 FHAB CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccccc4C)ccc1c23 1448659 ZDTKJKQIFQXABH-UHFFFAOYSA-N 366.442 3.929 0 40 FHAB CCCNC(=O)CSC1=NC(c2ccccc2)=NCN1c1ccccc1 15860594 ZODQLZOCINVITP-UHFFFAOYSA-N 366.490 3.526 0 40 FHAB Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1[C@H](O)CC(C)(C)C2 16806030 GDVCKSHWDGNBJV-QGZVFWFLSA-N 368.477 3.556 0 40 FHAB CC(C)N(C(=O)CSc1nc(-c2ccccc2)cn1N)C1CCCCC1 18471516 RNDCCBXSPSFJQW-UHFFFAOYSA-N 372.538 3.926 0 40 FHAB Cc1ccsc1CN(Cc1cnn(-c2ccc(F)cc2)c1)C[C@H](C)O 19238603 DZYFVYNEKGSSKR-HNNXBMFYSA-N 359.470 3.764 0 40 FHAB CCCC(=O)NC1CCN(c2ncc(-c3ccncc3)c(C(C)C)n2)CC1 19501740 BBFVHHSBIORQIE-UHFFFAOYSA-N 367.497 3.547 0 40 FHAB CCC(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)C1 19694570 VNSCBXIMHMCOIH-HNNXBMFYSA-N 372.900 3.979 0 40 FHAB Cn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 209940547 XMTTXROMSPLFNS-QZTJIDSGSA-N 352.438 3.736 0 40 FHAB CC(=O)N1CCCCCCCN(CC(=O)NCC(C)C)Cc2ccccc21 643575160 DCNPTQUTFZPHIG-UHFFFAOYSA-N 373.541 3.578 0 40 FHAB c1ccc2sc(N3CCN(c4cc(C5CCC5)ncn4)CC3)nc2c1 1888913781 PJAPPSLBRYIZRF-UHFFFAOYSA-N 351.479 3.680 0 40 FHAB O=C(NCc1nnc(SCc2cccc(F)c2)o1)c1ccc(F)cc1 5107471 HWXCDVLKQJZNKD-UHFFFAOYSA-N 361.373 3.570 0 40 FHAB Cc1ccc(NC(=O)NC[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 9040155 HATXHJMNELWJJO-AWEZNQCLSA-N 357.841 3.823 0 40 FHAB CCOC(=O)c1c(N)n(-c2cccc(C(C)=O)c2)c2nc3ccccc3nc12 2276266 JPGJZINPGRBLAR-UHFFFAOYSA-N 374.400 3.535 0 40 FHAB Cc1cc(C(=O)CN2CCO[C@@H](c3ccc(F)cc3)C2)c(C)n1C1CC1 40086067 GFAWPBBZVOHOGD-OAQYLSRUSA-N 356.441 3.835 0 40 FHAB Brc1cnc(Sc2nnc3sc4ccccc4n23)nc1 67349037 LCRJORQCPONTRR-UHFFFAOYSA-N 364.253 3.648 0 40 FHAB O=C(O)CC1(CC(=O)Nc2ccc(N3CCCC3=O)cc2)CCCCC1 29010385 SPUHUWLZUAXUET-UHFFFAOYSA-N 358.438 3.567 0 40 FHAB C[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]12 1096419 TZAFNFPJXKADMZ-HMEQZMJYSA-N 371.742 3.582 0 40 FHAB Clc1c2c(c(Cl)c3c1=Nc1ncccc1O3)=Nc1ncccc1O2 1564325 IIJSUJMHNYDXCO-UHFFFAOYSA-N 357.156 3.897 0 40 FHAB O=C(CSc1nnc(-c2cccs2)o1)c1ccc2c(c1)OCCO2 4535947 NWQKOYZMQHGPBE-UHFFFAOYSA-N 360.416 3.544 0 40 FHAB CC(C)(C)c1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2F)cc1 51356056 FORKMOLXCGSVJM-UHFFFAOYSA-N 361.388 3.736 0 40 FHAB O=C1C[C@H](c2ccc(OCc3c(F)cccc3Cl)cc2)n2ncnc2N1 6452981 NDQBEDGHABAHBA-MRXNPFEDSA-N 372.787 3.581 0 40 FHAB CCc1cccc(CC)c1NC(=O)CN(C)Cc1ccc2c(c1)OCO2 7639602 PHCQIZBEEZAFBL-UHFFFAOYSA-N 354.450 3.611 0 40 FHAB C[C@H](CNC(=O)c1cccc(I)c1)c1ccccc1 7794312 MNQQXIFERIYNQW-GFCCVEGCSA-N 365.214 3.825 0 40 FHAB O=C(Cc1csc(-c2ccccc2F)n1)NCc1ccc(C(=O)O)cc1 20734169 IWGICHMQNGWRHI-UHFFFAOYSA-N 370.405 3.506 0 40 FHAB CC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)O3)c1 46089231 MATYFUWUYAFXRH-UHFFFAOYSA-N 353.378 3.643 0 40 FHAB CCn1nc(C(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2c1=O 8129357 BFFXKFQCJNTROD-UHFFFAOYSA-N 362.216 3.976 0 40 FHAB O=C(Oc1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)c1cccs1 102088955 QQQMANFNRIBDGQ-IYVPYFHTSA-N 367.426 3.503 0 40 FHAB C[C@@H]1c2ccsc2CCN1CCS(=O)(=O)c1ccc(Cl)cc1 21584708 YVXKMMKVKGRXBL-GFCCVEGCSA-N 355.912 3.795 0 40 FHAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cc(C)cc(C)c2)c1 32894190 RDRSMIVXUNQFCA-UHFFFAOYSA-N 352.434 3.943 0 40 FHAB CC[C@@H](C)[C@H](C(=O)Nc1ccc(N2CCOCC2)nc1)c1ccccc1 32903602 GJXBYBGRGFEREY-UZLBHIALSA-N 353.466 3.687 0 40 FHAB CCc1sc(C(=O)Nc2ccc(NS(=O)(=O)CC)cc2)cc1C 58134418 BCBFYLVQIQDXJF-UHFFFAOYSA-N 352.481 3.633 0 40 FHAB COc1ccc(C)cc1CN1CCCC[C@H]1c1cc2nc(C)cc(O)n2n1 100732633 VCGVKBNHCYGDCN-SFHVURJKSA-N 366.465 3.788 0 40 FHAB Cc1ccc([C@](O)(CCNc2ncnc3sccc23)C(F)(F)F)o1 22406354 BRSQESRMDJKMKE-CQSZACIVSA-N 357.357 3.845 0 40 FHAB Cc1c(Br)cc2c(c1C)OC[C@H](N1CCC(C)CC1)C2=O 55125469 RXSULNMRPZMYRP-HNNXBMFYSA-N 352.272 3.742 0 40 FHAB CCCCc1ccc(NC(=O)CN2C(=O)COc3cc(C)ccc32)cc1 51316393 ZSCQCZFMDDRAMF-UHFFFAOYSA-N 352.434 3.702 0 40 FHAB CCC[C@@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2ON1c1ccccc1 102699444 YQUPYKFFHHVBLL-KZNAEPCWSA-N 370.836 3.819 0 40 FHAB Cc1ccc(OCC(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 959646 HUTXRPCGZJBKOG-UHFFFAOYSA-N 368.216 3.863 0 40 FHAB O=C(OCCOc1cccc(Cl)c1)c1ccc(NC(=O)C2CC2)cc1 24710196 HPAGTIWQNKRXCX-UHFFFAOYSA-N 359.809 3.924 0 40 FHAB Cc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c(C)c1 20483603 MJCDKZOXCZOQPU-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB Cc1ccccc1CCNC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 12532930 KBUVGRDEGANTOK-UHFFFAOYSA-N 355.438 3.955 0 40 FHAB Cc1cccc(NC(=O)[C@H](C)N2CCC(C(=O)Nc3ccccc3)CC2)c1 24855700 GPENWUZEDJZFEC-KRWDZBQOSA-N 365.477 3.673 0 40 FHAB COc1cc(NC(=O)c2ccc(-n3cccn3)cc2)c(OC)cc1Cl 21797100 PUXSYZIZFCYRLX-UHFFFAOYSA-N 357.797 3.795 0 40 FHAB Cc1sc(-n2cccc2)c(C(=O)NCCc2cn3ccccc3n2)c1C 25530225 CPRYFFOXQFVODH-UHFFFAOYSA-N 364.474 3.776 0 40 FHAB CCOC(=O)c1ccc(NC(=O)COc2ccc(OC)cc2)c(Cl)c1 20491626 HBCDZMARMNCGNG-UHFFFAOYSA-N 363.797 3.543 0 40 FHAB COc1ccc(CN(C)C(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1OC 20049020 GUXIVXYZUPABLP-MRXNPFEDSA-N 357.450 3.747 0 40 FHAB Cc1nc2cc(NC(=O)CCc3nc(-c4ccsc4)no3)ccc2o1 15602758 KSSXQHSLIPJESZ-UHFFFAOYSA-N 354.391 3.819 0 40 FHAB CNc1snc(C)c1C(=O)N1CCC(c2nc3ccccc3o2)CC1 27495657 QCSPOACZYWPSHB-UHFFFAOYSA-N 356.451 3.654 0 40 FHAB CC(C)(C)c1ccc(C[S@](=O)CC(=O)N2CCc3ccccc32)cc1 58224054 CDKLHPMVZUABDY-RUZDIDTESA-N 355.503 3.822 0 40 FHAB CCC(=O)N[C@H](CCSC)C(=O)N[C@H](C)CC(C)(C)c1ccccc1 58325423 INGRUUWBEDBJIN-NVXWUHKLSA-N 364.555 3.507 0 40 FHAB CSc1cc(C(=O)O)ccc1NS(=O)(=O)c1cccc(Cl)c1C 58370863 MXJGWSKQDORBHU-UHFFFAOYSA-N 371.867 3.869 0 40 FHAB CCOc1cccc(-c2nnc3sc(-c4ccccc4OC)nn23)c1 2264675 RRJWOGMDWIANSH-UHFFFAOYSA-N 352.419 3.927 0 40 FHAB CCOc1ccc2[nH]c(SCC(=O)Nc3ccc(F)c(F)c3)nc2c1 2235011 LLWWZLUEHGSWOD-UHFFFAOYSA-N 363.389 3.971 0 40 FHAB O=C(Nc1ccc(Cn2cccn2)cc1)c1cccnc1N1CCCCC1 58425521 MDCSFWQFNRXSDQ-UHFFFAOYSA-N 361.449 3.569 0 40 FHAB Cc1csc(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)n1 10510941 VKPHXXNWIRVQII-UHFFFAOYSA-N 365.462 3.836 0 40 FHAB C[C@@H](Sc1nnc(N)s1)C(=O)Nc1ccccc1-c1ccccc1 3372058 SRRCDFFLSAEZRP-LLVKDONJSA-N 356.476 3.907 0 40 FHAB Cc1cc(C)cc(OCC(=O)NC[C@H](c2ccco2)N2CCCCC2)c1 15860039 NOWXFLFSCKHSIQ-LJQANCHMSA-N 356.466 3.619 0 40 FHAB CCN(CC)[C@H](CNC(=O)c1ccc(C(C)=O)s1)c1cccc(OC)c1 12745163 DLQBWSJUBPKEQG-QGZVFWFLSA-N 374.506 3.772 0 40 FHAB COc1ccc([C@@H]2CCCN2CC(=O)NCc2ccc(Cl)cc2)cc1 12870765 BRCHGFGGXKGMBQ-IBGZPJMESA-N 358.869 3.802 0 40 FHAB Cc1ccc2c(Cn3cc(C(F)(F)F)cc(Cl)c3=O)cc(=O)oc2c1 3431724 LIQIWUCEUWPLCK-UHFFFAOYSA-N 369.726 3.984 0 40 FHAB COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)NCC(C)C)cc1 12915333 FXLZHGGSHNDVCQ-HNNXBMFYSA-N 369.465 3.520 0 40 FHAB COc1ccc(C(=O)COC(=O)c2cc3ccccc3cc2O)c(OC)c1 3520741 ABKDOQVEXDEQGU-UHFFFAOYSA-N 366.369 3.602 0 40 FHAB CCCOc1ccc(C(=O)NC[C@@H]2OCCc3ccccc32)cc1OC 4141831 FAAAZDJDCJDIKJ-FQEVSTJZSA-N 355.434 3.528 0 40 FHAB CCn1c(SCc2nc(-c3ccccc3)no2)nc2ccccc2c1=O 6094932 AFUNBBVHCNFXPW-UHFFFAOYSA-N 364.430 3.759 0 40 FHAB COc1ccc(-n2c(SCC(=O)N3CCCC3)nc3ccccc32)cc1 6038863 WTSKNNZIXCPPCZ-UHFFFAOYSA-N 367.474 3.749 0 40 FHAB Cc1nc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2n1 4240047 LUEBLUVXBQICPJ-LLVKDONJSA-N 367.430 3.786 0 40 FHAB C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)c2ccc(Br)o2)C1 64725952 KGRQDDYCSAFSPB-XQQFMLRXSA-N 355.276 3.520 0 40 FHAB Cc1ccc(-c2ccc3c([C@@H]4CN(Cc5ccco5)CCO4)nnn3c2)cc1 306141329 VSBPDBHFBZSFQN-NRFANRHFSA-N 374.444 3.871 0 40 FHAB O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2ccccc2)CC1 4352009 YYFVOKPJKVFGQK-UHFFFAOYSA-N 360.816 3.970 0 40 FHAB Cc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CC2)c1 7859776 DLXXMVFJUVUCKC-UHFFFAOYSA-N 365.458 3.771 0 40 FHAB CC(=O)Nc1cccc(NC(=O)c2cc(-c3csc(C)n3)cn2C)c1 16200282 OOFBYILJJJWUIZ-UHFFFAOYSA-N 354.435 3.668 0 40 FHAB O=C(Nc1ccccc1)c1ccccc1OCC(=O)N1CCc2ccccc21 6231815 ZVDNJXLZZIIQCJ-UHFFFAOYSA-N 372.424 3.907 0 40 FHAB COC(=O)c1cc(OC)ccc1NC(=O)c1cc2c(s1)CC[C@@H](C)C2 69492387 YRHIFWSOXXYQLN-LLVKDONJSA-N 359.447 3.920 0 40 FHAB O=C(NCc1cccc(Cn2cccn2)c1)c1ccc(-c2cnco2)cc1 65488817 QPLLSJJTNAYVMT-UHFFFAOYSA-N 358.401 3.516 0 40 FHAB COc1cccc(C(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)c1 14014513 OBNUQEULFCCYJS-UHFFFAOYSA-N 364.401 3.569 0 40 FHAB CCCCCNC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 14185157 ZCXGZIPSVPAOCR-UHFFFAOYSA-N 352.478 3.998 0 40 FHAB COc1ccc([C@H]2SC[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)N32)cc1 4723401 HSPWABTZKCKEMH-SJLPKXTDSA-N 354.431 3.586 0 40 FHAB COc1ccccc1C(=O)CSc1nnc2sc3ccccc3n12 6788353 CWHPNQJPHYZDFS-UHFFFAOYSA-N 355.444 3.928 0 40 FHAB C[C@@H](Sc1nnc(-c2ccco2)o1)C(=O)N[C@H](C)c1ccc(F)cc1 4828543 UJSRANGXRNMVJS-GHMZBOCLSA-N 361.398 3.827 0 40 FHAB COCc1nc2ccccc2n1C[C@@H](O)COc1ccc(Cl)c(C)c1 16903120 IVKVZUDACVEBGW-CQSZACIVSA-N 360.841 3.584 0 40 FHAB Oc1ccccc1C1=Nc2ncnn2[C@H](c2ccc(Br)cc2)C1 17729195 SUJOUKFJTWLPHD-HNNXBMFYSA-N 369.222 3.860 0 40 FHAB CCOc1cc(C(=O)Nc2ccsc2C(=O)OC)ccc1OC(F)F 8751603 ITEVXFKYYIEDIK-UHFFFAOYSA-N 371.361 3.787 0 40 FHAB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cc(F)cc(F)c1 8752094 MHYDJUGWPAZMSE-UHFFFAOYSA-N 350.752 3.997 0 40 FHAB CC(=O)Nc1cccc2c1CCN(C(=O)c1cc(C)n(C3CC3)c1C)C2 84079486 DCASBNPAFYWTSR-UHFFFAOYSA-N 351.450 3.597 0 40 FHAB O=C(CSc1nc2ccccc2o1)Nc1nc(=O)c2ccccc2s1 9042462 RVZMZIKBNSEHRE-UHFFFAOYSA-N 369.427 3.529 0 40 FHAB Cc1nccn1-c1ccc(CNC(=O)c2ccccc2Br)cc1 20488588 WYIUEWNIFBAUGR-UHFFFAOYSA-N 370.250 3.873 0 40 FHAB Cc1ccc(NC2=NN=C(c3ccc4c(c3)NC(=O)CO4)CS2)c(C)c1 9367773 FKOAYMPQQKQLOC-UHFFFAOYSA-N 366.446 3.553 0 40 FHAB COc1ccc(-c2nnc(NC(=O)c3ccccc3F)s2)cc1OC 9360709 SHFIDYOGSBFHIJ-UHFFFAOYSA-N 359.382 3.614 0 40 FHAB CCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OCC)cc1 408561881 WMNGUZOBKBKRSY-UHFFFAOYSA-N 355.843 3.938 0 40 FHAB COC(=O)c1cc(-c2csc(NC(=O)C=C(C3CC3)C3CC3)n2)c[nH]1 77583424 NGQTUZXCYHMFTR-UHFFFAOYSA-N 357.435 3.610 0 40 FHAB COc1ccc(C(=O)C2CCN(C(=O)c3c(C)noc3C(C)C)CC2)cc1 9984859 ITBHFFFTBWWZSO-UHFFFAOYSA-N 370.449 3.850 0 40 FHAB COc1ccc2nc(C(=O)Nc3cc4c(cc3Cl)OCCO4)ccc2c1 9953245 HZYPZBIZVGWYHE-UHFFFAOYSA-N 370.792 3.920 0 40 FHAB COc1ccc(-c2c(C)s/c(=N\C(=O)c3ccccc3OC)n2C)cc1 409204549 IPFRVFXNLSWFBE-MRCUWXFGSA-N 368.458 3.820 0 40 FHAB C[C@@H]1c2ccccc2CCN1C(=O)NCc1cccc2c1OCCCO2 178260842 RRVIHYYEVVCDSY-OAHLLOKOSA-N 352.434 3.677 0 40 FHAB CC(C)(C)OC(=O)NC1CCN(c2ncnc3c2oc2ccccc23)CC1 52450248 GAAMEXAYNDSTGT-UHFFFAOYSA-N 368.437 3.870 0 40 FHAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(CN2CCCCCC2)cc1 38858796 RTIXUXKKKMRWDN-UHFFFAOYSA-N 366.461 3.721 0 40 FHAB CCOCCCNC(=O)C(=O)c1c(-c2ccc(C)cc2)cc2ccccn12 408679351 WCSFRVHHTRLZAQ-UHFFFAOYSA-N 364.445 3.640 0 40 FHAB Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)Cc1nc2ccccc2o1 547699133 ONTLOVNKCVGKRB-GJZGRUSLSA-N 374.485 3.637 0 40 FHAB COc1cc(OC)cc(OCC(=O)NCCCc2ccc(C(C)C)cc2)c1 218901355 SWHWECVQHZGPMC-UHFFFAOYSA-N 371.477 3.955 0 40 FHAB Cc1ccc(Cl)cc1N1CCN(C(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)CC1 36093690 QXVWRDKMZFNCOO-SJPCQFCGSA-N 374.912 3.692 0 40 FHAB CCc1nnc(NC(=O)CSc2nc3ccc(C)cc3cc2C)s1 35288640 HKQYCMXSKVNIHB-UHFFFAOYSA-N 358.492 3.996 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cnc(N(C)C)cc2C)cc1 72218718 WLKFFBGKLRBCCJ-LJQANCHMSA-N 373.522 3.680 0 40 FHAB CCc1cccc(OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1 32910968 BFFSBEFKRSQQEP-UHFFFAOYSA-N 356.813 3.501 0 40 FHAB Cc1nc(C2CCN(CC(C)C)CC2)nc2c1CCC(=O)N2C1CCCC1 72371156 YONMRLJNQSDODM-UHFFFAOYSA-N 370.541 3.842 0 40 FHAB O=C(NC[C@@]1(O)CCCc2occc21)Nc1ccccc1C(F)(F)F 1565523058 YHLKVPYYZGCLEJ-INIZCTEOSA-N 354.328 3.644 0 40 FHAB O=C(c1ccc(F)cc1)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 38899669 ORXSHCONHWSIJC-CYBMUJFWSA-N 357.410 3.957 0 40 FHAB O=C(COc1ccc(Br)cc1)NCCCc1ccc(F)cc1 218815874 SKSLHOQRRFSWDH-UHFFFAOYSA-N 366.230 3.716 0 40 FHAB Cc1ccccc1CS(=O)(=O)Nc1ccc(Cc2ccncc2)cc1 186626176 SOHRDGBHGPTCPW-UHFFFAOYSA-N 352.459 3.923 0 40 FHAB NC(=O)c1cnccc1N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 562238917 GTHMDKSYSFHFBA-LBPRGKRZSA-N 366.248 3.535 0 40 FHAB COc1ccc(CCC(=O)NCc2ccc(OC(C)C)cc2)cc1OC 44884509 ALRRARGMQJNXFR-UHFFFAOYSA-N 357.450 3.740 0 40 FHAB CCn1c(=O)c2ccccc2n2c(COc3cc(C)ccc3Cl)nnc12 40023368 SALWSQCJIWXXMJ-UHFFFAOYSA-N 368.824 3.605 0 40 FHAB COc1cccc(O[C@@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1 224429033 RCRBLNPYICOENN-INIZCTEOSA-N 371.477 3.955 0 40 FHAB Cc1cccc(-c2noc(CNC(=S)Nc3ccc(F)c(F)c3)n2)c1 225814979 BJKQNDGWNMXUNM-UHFFFAOYSA-N 360.389 3.810 0 40 FHAB CCOC(=O)c1cc(NC(=O)C2(OC)CCCC2)ccc1O[C@H](C)CC 225804066 CTRZNXBPINRWTL-CQSZACIVSA-N 363.454 3.938 0 40 FHAB COc1ccc(CNC(=S)Nc2cc(C)ccc2C)c(OC)c1OC 44252141 BAJAIOXAOLGLCR-UHFFFAOYSA-N 360.479 3.816 0 40 FHAB CC1(C)[C@@H]2CC[C@@]13CS(=O)(=O)N(Cc1cc(-c4ccccc4)no1)[C@@H]3C2 329516060 OUFFUPRQGLZYOJ-ZTNFWEORSA-N 372.490 3.682 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H](c2csc(Nc3cnccn3)n2)C1 44029581 KQRJYFZJHMPBCU-GFCCVEGCSA-N 361.471 3.791 0 40 FHAB CCOC(=O)c1cccc(NC(=S)N[C@H](C)COc2ccc(C)cc2)c1 225642254 DVVDHQSEZKRVSZ-OAHLLOKOSA-N 372.490 3.926 0 40 FHAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 225611419 HAGFSFHRMRRAFN-NRFANRHFSA-N 362.514 3.941 0 40 FHAB O=C(CCCOc1ccccc1)NC1CCN(Cc2ccccc2)CC1 48089435 PGOCCPBXYJCOTE-UHFFFAOYSA-N 352.478 3.626 0 40 FHAB CC[C@@H](Oc1ccccc1)C(=O)NCCCc1ccc(OC)c(OC)c1 222865094 PGSAHOSUNXXTEL-GOSISDBHSA-N 357.450 3.610 0 40 FHAB Cc1cccc(C(=O)NC2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)c1 98212588 JQJCJMVYNQXPJU-UHFFFAOYSA-N 360.461 3.784 0 40 FHAB COc1ccc(C2(C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)CCOCC2)cc1 248250102 LPKCUCYVEZYXSX-BOSXTWCSSA-N 357.494 3.684 0 40 FHAB Cc1ccc(S(=O)(=O)NC(=O)O[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 254698748 YZWRWDKISIQION-OWCLPIDISA-N 351.468 3.769 0 40 FHAB CC(C)n1nccc1C(=O)N1C[C@H]2C[C@H](OCc3ccccc3)C[C@H]2C1 257246034 ISCZZLLBOBFXCV-BWTSREIZSA-N 353.466 3.531 0 40 FHAB O=C(Nc1ccc(-c2cnc3n2CCC3)cc1)Nc1ccc2c(c1)OCO2 85471599 BXHLZQSAVBSFRB-UHFFFAOYSA-N 362.389 3.869 0 40 FHAB C[C@H]1CCCN(CCCNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)C1 260790417 AUMVLAWHWLKFGS-ZWKOTPCHSA-N 358.526 3.571 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(Oc2cccnc2)CC1 90608664 RURDGTNPXWGCFA-UHFFFAOYSA-N 374.868 3.962 0 40 FHAB CC(=O)N(C)c1ccc(CNC(=O)Nc2nc3ccccc3s2)cc1 1664995267 UQZROEKCITWSEJ-UHFFFAOYSA-N 354.435 3.601 0 40 FHAB O=C(NC1CC(C(F)(F)F)C1)N[C@@H](Cc1ccccc1)c1ncco1 654564141 BBPLWVBLTXBVLL-RUXDESIVSA-N 353.344 3.599 0 40 FHAB O=C(NC[C@H]1CCCN2CCCC[C@H]12)c1cc(-c2ccc(Cl)cc2)[nH]n1 96125613 UOVDWAMJYCHVQU-DNVCBOLYSA-N 372.900 3.724 0 40 FHAB biogenic Oc1ccccc1CCN=c1cc[nH]c(-c2ccc(Br)cc2)n1 1306950686 DLLMCLCUZJZJEI-UHFFFAOYSA-N 370.250 3.688 0 40 FHAB COc1cccc(CN[C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)c1 585289706 VRSVOIWRSCOQDF-XUVXKRRUSA-N 361.869 3.799 0 40 FHAB Cc1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)sc1C(=O)O 45774656 JRMAAXNAWKZGGS-UHFFFAOYSA-N 365.354 3.574 0 40 FHAB COc1cc(C=O)ccc1O[C@@H](C)Cc1cc(OC)c(OC)c(OC)c1 49181069 BOCUVDNZFZFUED-ZDUSSCGKSA-N 360.406 3.544 0 40 FHAB biogenic,in-vitro COC(=O)c1cc(-c2ccc(/C=C3/SC(=O)NC3=O)o2)ccc1Cl 1012990 IVOXAQBOBNOPAB-NTUHNPAUSA-N 363.778 3.711 0 40 FHAB CC(C)c1ccc(NC(=O)N[C@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 5193841 ABQONXXCPRHDDH-KRWDZBQOSA-N 355.413 3.876 0 40 FHAB COc1ccc(NC2=NC(=O)/C(=C\c3ccc(C)c([N+](=O)[O-])c3)S2)cc1 16440299 NMRDRJFUSVZTOT-MHWRWJLKSA-N 369.402 3.994 0 40 FHAB CCCCNCc1ccc(O[C@H](C)C(=O)OCC)c(Br)c1 16638897 KTGZAMFATFPJIT-GFCCVEGCSA-N 358.276 3.669 0 40 FHAB Cc1cc(C)n(-c2cc(C(=O)NCc3cc(CC(C)C)no3)ccc2F)n1 19574650 SZLJZFJUCNRTDT-UHFFFAOYSA-N 370.428 3.745 0 40 FHAB O=C(c1cccc(Cn2ccnn2)c1)N1CCCCc2cc(Cl)ccc21 622959941 RULDVWSKVKZWLJ-UHFFFAOYSA-N 366.852 3.963 0 40 FHAB Cc1noc(C2CCN([C@H](C(=O)O)c3cccc(Cl)c3Cl)CC2)n1 574331415 BMACQPFBQGPPSW-AWEZNQCLSA-N 370.236 3.690 0 40 FHAB CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1 7218206 CJIKUMSNQVLXCG-UHFFFAOYSA-N 374.687 3.923 0 40 FHAB CCN(CC)Cc1ccc(CNC(=O)CCOc2ccc(OC)cc2)cc1 16780206 KXOQQDPRDLDDOS-UHFFFAOYSA-N 370.493 3.622 0 40 FHAB Cc1csc(NC(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)n1 21472371 PRAFLKYCFGSZQC-UHFFFAOYSA-N 369.446 3.607 0 40 FHAB Cc1ccc(-n2ncc3c(=O)n(Cc4ccc(Cl)cc4)cnc32)c(C)c1 4479316 ZCXTVLRDIDKXNL-UHFFFAOYSA-N 364.836 3.901 0 40 FHAB O=C(NCc1ccc(F)cc1)NC[C@H](O)c1ccc(-c2ccco2)cc1 585148163 SFMMRQGKKSRVHX-SFHVURJKSA-N 354.381 3.619 0 40 FHAB COC(=O)c1ccccc1C(=O)N1CCS[C@H](c2ccccc2F)CC1 219101510 INHCRUNJYSXCLK-SFHVURJKSA-N 373.449 3.933 0 40 FHAB CN(C)[C@H](CNC(=O)Nc1ccc(OC(F)F)cc1)c1ccsc1 40103161 SSGFIYMSVKOZKD-CQSZACIVSA-N 355.410 3.774 0 40 FHAB COc1ccccc1C(=O)Nc1nnc(COc2ccc(F)cc2)s1 778501 APMSDOIMUCLTJP-UHFFFAOYSA-N 359.382 3.517 0 40 FHAB CC(C)(C)NC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CCCC2=O 809756 YSAUXVYSKLIPTA-UHFFFAOYSA-N 372.852 3.538 0 40 FHAB Cc1ccccc1NC(=O)CSc1nnc(CNc2ccc(F)cc2)o1 917708 OMXCTVBQOFHEHQ-UHFFFAOYSA-N 372.425 3.860 0 40 FHAB FC(F)(F)c1nc(-c2ccccc2)ncc1-c1nnnn1-c1ccccc1 1041283 FHRBTWWEUOKYKE-UHFFFAOYSA-N 368.322 3.805 0 40 FHAB CCOC(=O)/C(=C/c1cc(OC)ccc1OC)P(=O)(OCC)OCC 1634975 OCTRILNQWBBGIR-VBKFSLOCSA-N 372.354 3.874 0 40 FHAB Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)CCc3ccccc3)ccc12 2148729 ZADITRSPWMAPBV-INIZCTEOSA-N 365.429 3.618 0 40 FHAB biogenic O=C(CSc1ccccc1)Nc1ccccc1C(=O)NCc1ccco1 7884891 FVJVBZVXUNDJEX-UHFFFAOYSA-N 366.442 3.940 0 40 FHAB C[C@@H]1C(=O)N(Cc2c(F)cccc2Cl)C(=O)N1c1ccc(F)cc1 20670896 FDNLDWLWNOTCAK-SNVBAGLBSA-N 350.752 3.976 0 40 FHAB Cc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(Cl)cc1 8414698 RLANSOGGVNKMDM-UHFFFAOYSA-N 374.824 3.549 0 40 FHAB O=C(CSc1nc2c(n1-c1ccccc1)CCCC2)Nc1cccnc1 29519299 SFJDHWRHMLMPQO-UHFFFAOYSA-N 364.474 3.877 0 40 FHAB CC(=O)Nc1c(C)cccc1C(=O)OCC(=O)c1ccc(Cl)s1 11811425 ZBAPPLVDLLNLNK-UHFFFAOYSA-N 351.811 3.708 0 40 FHAB Cc1nccc(-c2cccc(NC(=O)CCOc3ccccc3F)c2)n1 46291316 KDTITIWCPSHUNH-UHFFFAOYSA-N 351.381 3.999 0 40 FHAB O=C(COC(=O)Cc1cccc2ccccc12)Nc1ccc(Cl)cn1 2617425 AAZSMYDULMBXOB-UHFFFAOYSA-N 354.793 3.613 0 40 FHAB NC(=O)Nc1ccc(CNC(=O)c2ccccc2Cc2ccccc2)cc1 32899172 YJELZQGHNCAKGR-UHFFFAOYSA-N 359.429 3.698 0 40 FHAB O=C(NCCC(=O)N1CCC[C@H]1Cc1ccccc1)c1ccc(Cl)cc1 37143108 ZQNYUMLWPKCRMX-IBGZPJMESA-N 370.880 3.694 0 40 FHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCC(=O)NC1C2CC3CC(C2)CC1C3 103141094 BTUCYBZERXDADI-PVGOPLAASA-N 360.542 3.648 0 40 FHAB CN(CC(=O)N[C@H]1CCSc2ccc(F)cc21)c1ccc(Cl)cn1 53153747 FGEIVHIDVMLCRU-AWEZNQCLSA-N 365.861 3.664 0 40 FHAB COc1cccc(-c2nn3c(Cc4ccccc4C)nnc3s2)c1OC 632626 XGPIDFLCNZARSM-UHFFFAOYSA-N 366.446 3.769 0 40 FHAB O=C(NCCC1=CCCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 53518240 PUVVRNIQPHCBJL-UHFFFAOYSA-N 368.481 3.567 0 40 FHAB Cc1nc2c3ccccc3nc(N[C@H](c3nc(C4CC4)no3)C(C)C)n2n1 75109718 KKWQRNDKDTUTGQ-HNNXBMFYSA-N 363.425 3.656 0 40 FHAB O=C(COc1ccc2ccccc2c1)NCCCN1CCc2ccccc21 29520729 ALVUXHVMTBPOSZ-UHFFFAOYSA-N 360.457 3.788 0 40 FHAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(OCc2ccccc2)cc1 3259260 DZHOVLMXSKUVAM-HNNXBMFYSA-N 364.401 3.616 0 40 FHAB Cc1nccn1-c1ccccc1CNC(=O)[C@H](C)Oc1cccc(Cl)c1 22511460 MWGYJROXMKZAAF-AWEZNQCLSA-N 369.852 3.918 0 40 FHAB Cc1cc(I)ccc1NC(=O)c1cccc(N)c1C 110398629 VWPYDDJGCAXPNQ-UHFFFAOYSA-N 366.202 3.743 0 40 FHAB CCN(CC)c1ccc(C(=O)OCC(=O)Nc2cccc(C(C)=O)c2)cc1 3219420 OAODFZCFLQXRLN-UHFFFAOYSA-N 368.433 3.531 0 40 FHAB COc1cc(SC)ccc1C(=O)OCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 3239918 CSNRVDFVKCIHGP-HEHGZKQESA-N 365.495 3.515 0 40 FHAB CN(C)[C@H](CNC(=O)Nc1ccc2oc(C3CC3)nc2c1)c1ccco1 58075319 CWOSCRWXCZCUHS-OAHLLOKOSA-N 354.410 3.723 0 40 FHAB CC[C@H](NC(=O)CCc1ccc(C)o1)[C@H](c1ccc(C)cc1)n1cncn1 89941932 YSPHSJSKBKBZQI-FPOVZHCZSA-N 366.465 3.605 0 40 FHAB Cc1ccc(C(=O)NC2CCN(Cc3coc(-c4cccs4)n3)CC2)o1 58293827 KCCYDWQXGJKDQG-UHFFFAOYSA-N 371.462 3.699 0 40 FHAB CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 44980767 PSDAQLNTNBGHTC-HNNXBMFYSA-N 352.862 3.698 0 40 FHAB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccon3)s2)c(C)c1 10342039 FXKHIQPPXXRZHX-UHFFFAOYSA-N 361.452 3.617 0 40 FHAB O=C(Nc1nccs1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 10405704 BBCDEXMUUGQFRU-UHFFFAOYSA-N 370.883 3.522 0 40 FHAB CCN(CC)Cc1ccc(C(=O)N[C@H](C)c2cccc(NC(C)=O)c2)o1 58441042 LBIQDUWHYOZXFM-CQSZACIVSA-N 357.454 3.571 0 40 FHAB COc1cccc(-c2nc(CC(=O)Nc3nnc(C(C)C)s3)cs2)c1 36359991 MOOSQZXESJKZHJ-UHFFFAOYSA-N 374.491 3.975 0 40 FHAB CCCNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 2303216 KLDAYHLQEHJNRF-JSGCOSHPSA-N 352.360 3.683 0 40 FHAB C[C@@H](SCc1ccccc1)C(=O)NCc1cccc(N2CCOC2=O)c1 48368350 AHZMYMARPWKVLY-OAHLLOKOSA-N 370.474 3.581 0 40 FHAB C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)CC[C@@H]3CCCO3)cc2)C1 48311196 YZNZXJGPRVSDSQ-UEXGIBASSA-N 358.526 3.740 0 40 FHAB O=C1CCc2cc(OS(=O)(=O)c3c(Cl)cccc3Cl)ccc2N1 12815112 FZTHEMCSFIEJSW-UHFFFAOYSA-N 372.229 3.646 0 40 FHAB O=C(OCC(=O)N1CCCc2ccccc21)c1ccccc1Br 3619036 KHKYYBSNVGQVDW-UHFFFAOYSA-N 374.234 3.585 0 40 FHAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCc2sccc2[C@H]1C 13008779 LTWUPPOYWDVCFO-ZIAGYGMSSA-N 358.463 3.509 0 40 FHAB O=C(NCC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccccc2F)CC1 8394913 IJEFJQKSEWKGKZ-UHFFFAOYSA-N 371.500 3.874 0 40 FHAB O=C(NCCc1c[nH]c2ccc(F)cc12)c1cn2cc(Cl)ccc2n1 13691251 LAEXKPUAFVUOQL-UHFFFAOYSA-N 356.788 3.581 0 40 FHAB O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccc[nH]1 6080672 WJHMYESCNJHELW-UHFFFAOYSA-N 360.748 3.705 0 40 FHAB CCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cccc(C)c1 6023613 IAWJNRNNYWKPLG-UHFFFAOYSA-N 370.478 3.951 0 40 FHAB Cc1ccccc1NC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O 5092077 GMLQZNIAUZWACC-UHFFFAOYSA-N 352.463 3.602 0 40 FHAB COc1ccc(OC)c(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c1 65088036 KIEBEBXJUHWZBV-UHFFFAOYSA-N 365.433 3.600 0 40 FHAB Cc1ccc(C(=O)CCC(=O)OCc2nnc(-c3ccccc3)o2)s1 5151091 RUSFRVPIDOMEFH-UHFFFAOYSA-N 356.403 3.813 0 40 FHAB CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccccc3)cc12 5234924 CPBUXARMTSVVGV-UHFFFAOYSA-N 359.403 3.719 0 40 FHAB C[C@@H](SCC(=O)Nc1ccc2c(c1)OCO2)c1nc2ccccc2[nH]1 5264943 GWBJKXVUSKOFII-LLVKDONJSA-N 355.419 3.725 0 40 FHAB Cc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2)n1C 5209768 ISBQHXFJYZTARP-CQSZACIVSA-N 352.463 3.910 0 40 FHAB CCOc1ccc(NC(=O)C[C@H]2SC(Nc3ccccc3)=NC2=O)cc1 4599057 TWFRHGMYTCVQKF-MRXNPFEDSA-N 369.446 3.524 0 40 FHAB O=S(=O)(Nc1cc2c(cc1Cl)OCO2)c1ccc(Cl)s1 14239428 JTOZMVVRCQLWFM-UHFFFAOYSA-N 352.220 3.584 0 40 FHAB CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1cc(Cl)ccc1Cl 14242232 WURDKUAQOGMJFJ-UHFFFAOYSA-N 374.245 3.543 0 40 FHAB CC(=O)COC(=O)c1cc2ccccc2cc1OCc1c(C)noc1C 5585481 HVTHECNETKAUNW-UHFFFAOYSA-N 353.374 3.769 0 40 FHAB CCOc1ccc(C(=O)N[C@H](C(=O)Nc2cccc(F)c2)C(C)C)cc1 6778638 LBDOCGRLMLXPHU-SFHVURJKSA-N 358.413 3.618 0 40 FHAB CCc1ccc2nc(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)sc2c1 5825499 VHIVGLZSOYOMRR-CYBMUJFWSA-N 357.479 3.588 0 40 FHAB C[C@@H]1CCCN(CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)C1 7063599 SQIMUUIAXVLXJI-MRXNPFEDSA-N 354.498 3.840 0 40 FHAB CCOC(=O)C1=C(C)N(C2CCCC2)C(=O)N[C@@H]1c1c(F)cccc1F 7061873 BUQYOXPDDMUTAE-KRWDZBQOSA-N 364.392 3.811 0 40 FHAB COC(=O)/C(=C\Nc1ccccc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 67340418 JBOIFYABAVGJRS-NBVRZTHBSA-N 373.474 3.884 0 40 FHAB O=C(NCC(F)(F)F)c1cccc(NC(=O)c2ccc(F)cc2F)c1 8704145 RHXPHKRTKSKVBH-UHFFFAOYSA-N 358.266 3.509 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1C 7309488 GTULIAJRPHUKBU-SFHVURJKSA-N 373.474 3.600 0 40 FHAB Brc1ccc([C@@H]2C[C@@H](c3cccs3)n3nnnc3N2)s1 15866377 WNEVZIOUBIOQKQ-YUMQZZPRSA-N 368.285 3.705 0 40 FHAB Cc1ccc(Nc2nnc(SCC(=O)N[C@@H](C)C(C)C)s2)cc1 7654446 QAVVSYATUVUKGF-LBPRGKRZSA-N 350.513 3.843 0 40 FHAB CCOc1cc2c(cc1CNC(=O)c1ccccc1OCC)O[C@H](C)C2 19295943 WSAOJJXOSCRQOQ-CQSZACIVSA-N 355.434 3.737 0 40 FHAB CC(C)NC(=O)[C@@H](C)Sc1nnc(Nc2ccccc2Cl)s1 9613636 DCQWXHXDMPFQCZ-SECBINFHSA-N 356.904 3.940 0 40 FHAB COc1ccccc1Cc1nnc(NC(=O)[C@H](C)Oc2ccccc2)s1 9196815 JPUDQJXEFNWEMS-ZDUSSCGKSA-N 369.446 3.544 0 40 FHAB CC(=O)OCCCc1cccc(NC(=O)c2cccc(-n3cccn3)c2)c1 96012061 IJNXCHVDNRBPCH-UHFFFAOYSA-N 363.417 3.620 0 40 FHAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc2nc(C)sc2c1 9500989 YLLRJBRQPIXABZ-SFHVURJKSA-N 365.458 3.517 0 40 FHAB CC(=O)c1ccc(N2C(=O)C/C(=C\C3=Cc4ccccc4O[C@@H]3C)C2=O)cc1 9577414 ACBWFVMQJLTADQ-IYSPOMMRSA-N 373.408 3.943 0 40 FHAB CCN(CC)Cc1ccc(CNC(=O)NCCc2ccc(F)cc2)cc1 9875280 CEHNSIGKZHTMTQ-UHFFFAOYSA-N 357.473 3.709 0 40 FHAB O=C(Nc1cnn(Cc2ccccc2)c1)[C@H]1Cc2cc(Cl)ccc2O1 84544699 KNSPMEFCBIYEQS-GOSISDBHSA-N 353.809 3.527 0 40 FHAB O=C(CC1(n2cccc2)CCCCC1)Nc1ccc(Cn2cncn2)cc1 95475101 NCSAPYGZEYBQQR-UHFFFAOYSA-N 363.465 3.816 0 40 FHAB O=C(O)C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccco1)c1ccc(Cl)c(F)c1 95464061 HHLYIOPEBALTDZ-MJVIPROJSA-N 351.761 3.508 0 40 FHAB CCN(C(=O)Cn1cnc2ccccc2c1=O)c1cccc2ccccc12 22875154 WUYWSNVJJGKFDY-UHFFFAOYSA-N 357.413 3.603 0 40 FHAB CCOc1ccc(N2CCCN=C2NC(=O)c2cccc(Cl)c2)cc1 28534947 CZUNFYJZNYSAKR-UHFFFAOYSA-N 357.841 3.735 0 40 FHAB c1ccc(Cn2nnnc2[C@@H](c2cccs2)N2CCCCCC2)cc1 20098575 BRCSNNGUGSOQSM-GOSISDBHSA-N 353.495 3.748 0 40 FHAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)NCCCOC(C)C 22246015 DBDXXSXAYKQOIG-UHFFFAOYSA-N 351.447 3.879 0 40 FHAB O=C1N/C(=C/c2cccn2-c2ccccc2F)C(=O)N1Cc1ccccc1 409234837 NBCCVELECRFTKN-QGOAFFKASA-N 361.376 3.709 0 40 FHAB Cc1nn(CCC(=O)N[C@H]2[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c(C)c1C 409412864 UNYRHBODQVLFGT-YVNJGZBMSA-N 351.494 3.897 0 40 FHAB CCCn1nc(C)cc1-c1nn2c(-c3cc(F)ccc3F)nnc2s1 36357441 URMQDJQFGYLMDK-UHFFFAOYSA-N 360.393 3.713 0 40 FHAB CC[C@H](Oc1ccccc1C)C(=O)NCc1nc(-c2cccs2)no1 78579682 IKEVDBQCMFRZPD-ZDUSSCGKSA-N 357.435 3.580 0 40 FHAB O=C(C[C@H](c1ccsc1)n1cccc1)Nc1nc(-c2ccco2)n[nH]1 524735423 BHYMKFPQCKXGBN-CYBMUJFWSA-N 353.407 3.546 0 40 FHAB O=C(NCCCCN1CCO[C@@H](c2ccccc2)C1)c1ccc(F)c(F)c1 36700091 DJRRADHIHAFEGT-HXUWFJFHSA-N 374.431 3.548 0 40 FHAB O=C(c1ccncc1)N1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1 72358721 VKVQWAZOHLJEBK-QGZVFWFLSA-N 362.408 3.698 0 40 FHAB Fc1ccccc1Oc1nccnc1C1CCN(Cc2ncc[nH]2)CC1 72363000 DFQODURMYVIXHW-UHFFFAOYSA-N 353.401 3.511 0 40 FHAB COc1ccc(S(=O)(=O)NCCSCc2ccc(C)cc2)cc1C 30324338 YSJXXKXCGYPZNS-UHFFFAOYSA-N 365.520 3.524 0 40 FHAB COc1cc(OC)c([C@H]2CC(O)=Nc3c2cnn3C(C)(C)C)cc1OC 49549412 HGBOBOFORSATPR-LLVKDONJSA-N 359.426 3.788 0 40 FHAB CCCCOc1ccccc1C(=O)Nc1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 41014776 OLIGVBMLQRKDIZ-CQSZACIVSA-N 368.433 3.862 0 40 FHAB O=C(Cn1ccc2c(Br)cccc21)Nc1ccc(CCO)cc1 40288472 KEGRHAVSXGNWLS-UHFFFAOYSA-N 373.250 3.577 0 40 FHAB COC1(C(=O)Nc2ccc(OCCCN3CCCC3)cc2)CCCCC1 225628700 QPDBKTYGMSHCEH-UHFFFAOYSA-N 360.498 3.839 0 40 FHAB O=C1c2c(oc3ccccc3c2=O)[C@@H](c2cccc(O)c2)N1Cc1ccco1 41105007 LQOINHKEHKFACT-LJQANCHMSA-N 373.364 3.837 0 40 FHAB Cc1ccc2nc(COC(=O)CCCc3ccc(Cl)cc3)cc(=O)n2c1 44490355 SGDZYHSJCSACBZ-UHFFFAOYSA-N 370.836 3.722 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)COc2ccc3c(c2)CCCC3)cc1 223325970 QIWVYZXKCFGZQB-INIZCTEOSA-N 369.461 3.537 0 40 FHAB COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1F 223462320 SQVYXULDMDLHMJ-CQSZACIVSA-N 351.443 3.799 0 40 FHAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC)c(C(=O)OC)c1 225799493 FMKGYTDRJSJNNM-LJQANCHMSA-N 351.443 3.796 0 40 FHAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COC(C)C 224718018 UBPVMUVKVJBCPS-UHFFFAOYSA-N 357.406 3.991 0 40 FHAB CCOC(=O)c1nn(-c2cc(Cl)ccc2Cl)nc1C(F)(F)F 89261805 JEVTZHNLJSBSAH-UHFFFAOYSA-N 354.115 3.770 0 40 FHAB CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 222723795 DOWOPTUNXGYDTK-RYUDHWBXSA-N 354.298 3.508 0 40 FHAB O=C(/C=C\c1cc2ccccc2o1)N1CCC[C@@H]1c1nnc2ccccn12 48558002 ZVKKZXNNYHIKHG-QXPKXGMISA-N 358.401 3.852 0 40 FHAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCCc1ccccc1 222907803 HBGKURKKHVTAQI-QGZVFWFLSA-N 370.468 3.702 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=S)NCc2ccc(F)cc2)c1 225444667 YNHOBXOPQJISTJ-UHFFFAOYSA-N 352.818 3.752 0 40 FHAB O=c1[nH]n(C2CCCC2)c2c1[C@@H](c1ccc(F)cc1F)SCC(O)=N2 95472672 LKRNTEVCRCRZCO-OAHLLOKOSA-N 365.405 3.994 0 40 FHAB O=C(Cc1ccco1)N1CC[C@@H](OCC2CC2)[C@@H](Cc2ccccc2)C1 96208902 LZGPIGPCMKOPMO-PZJWPPBQSA-N 353.462 3.709 0 40 FHAB Cc1ccc(CN2CCC(F)(F)[C@@]3(CCN(c4ncccn4)C3)C2)s1 96239677 FZSLZHLVQZUCNA-KRWDZBQOSA-N 364.465 3.584 0 40 FHAB COc1cccc(-c2cccc3c([C@H]4CN(CC5CC5)CCO4)ncn23)c1 96155873 WAPVAEHEDLGCJP-OAQYLSRUSA-N 363.461 3.793 0 40 FHAB Cc1nccc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3)o2)n1 257221082 DNKGWSRWVUSJMS-IBGZPJMESA-N 362.433 3.731 0 40 FHAB Cc1ccccc1[C@H](NC(=O)N1CCN(c2ccccc2O)CC1)C1CC1 602452049 VSMRGKRMWWCLQP-OAQYLSRUSA-N 365.477 3.684 0 40 FHAB Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cnn(-c3cccnc3)c2)o1 675257516 LSETVGFRPQUIFA-KSSFIOAISA-N 350.422 3.782 0 40 FHAB Cc1ccc2cccc(NS(=O)(=O)c3cccc(OC(F)F)c3)c2n1 1259445326 WTUNRIFWTHAWBI-UHFFFAOYSA-N 364.373 3.945 0 40 FHAB Cc1ccccc1-c1nc(C)c(CNC(=O)c2ccc3[nH]nnc3c2)s1 96096719 ICDZXEVEJUJHGM-UHFFFAOYSA-N 363.446 3.628 0 40 FHAB COc1ccc(CN2CCC[C@@]3(CCCN3C(=O)c3ccoc3)CC2)cc1 585099980 BWAULUFHEDOSFA-JOCHJYFZSA-N 368.477 3.949 0 40 FHAB C[C@H](O)[C@H](NC(=O)NCCc1ccc(C(F)(F)F)cc1)c1ccccc1 663400467 QOQMNQUGTWCAOE-GUYCJALGSA-N 366.383 3.669 0 40 FHAB COc1ccccc1/C=C/C(=O)N1CCN(c2cccc(Cl)c2)CC1 8016264 OKSCHBRYLJPPIX-MDZDMXLPSA-N 356.853 3.711 0 40 FHAB COc1ccc(C(=O)[C@@H](C)Sc2nnnn2-c2c(C)cccc2C)cc1 5169560 ADHLXCDXDSCWRZ-CQSZACIVSA-N 368.462 3.651 0 40 FHAB NC(=O)Nc1ccc(C2=NC3=Cc4c(ccc5ccccc45)O[C@@H]3O2)cc1 5604958 LLVMZQRKOCSSRJ-HXUWFJFHSA-N 357.369 3.867 0 40 FHAB Cc1ccc(Cl)c(OCC(=O)N[C@H](c2ccccc2)c2nccn2C)c1 12507765 JXWSTMLQLMUBHF-LJQANCHMSA-N 369.852 3.667 0 40 FHAB Cc1cccc(C)c1NC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1 12977011 CPSPJXZVRCDGPL-GOSISDBHSA-N 365.477 3.593 0 40 FHAB O=C(NC1CCCCC1)c1ccccc1-n1ncc(Cl)c(Cl)c1=O 13010547 NETMPGKLICXGEX-UHFFFAOYSA-N 366.248 3.602 0 40 FHAB CC1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)CC1 13018094 FSABJBJSLHVXML-JITJBCMDSA-N 364.489 3.723 0 40 FHAB CCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccccc1 13479924 WAKJSMLUWXLOOF-UHFFFAOYSA-N 350.418 3.589 0 40 FHAB CC1(C)C[C@H](NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 13668173 JANIMYQISSXFHU-HNNXBMFYSA-N 351.855 3.921 0 40 FHAB CC[C@H](C(=O)Nc1c(C)cccc1C)N(c1ccc(C)cc1)S(C)(=O)=O 13713051 GGCHXQSBHWQZHT-GOSISDBHSA-N 374.506 3.795 0 40 FHAB Cc1cc(-c2cncnc2)cc(C2CCN(C(=O)Cc3ccccc3)CC2)n1 19694876 LSLLMDUEERGLIA-UHFFFAOYSA-N 372.472 3.796 0 40 FHAB CC(C)(CNC(=O)c1cc(-n2cccn2)ccc1Cl)N1CCCCC1 19713977 BAUUFYDBJXWSBZ-UHFFFAOYSA-N 360.889 3.520 0 40 FHAB CCC[C@H](CC)NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(-c2ccc(F)cc2)c1 511060582 FUJRQOCCDKKSGZ-UQASEVPWSA-N 372.488 3.699 0 40 FHAB COc1ccccc1N1C[C@@](O)(c2ccc(Cl)cc2)[N+]2=C1CCCC2 2966234 VOORNZAPIFXLDN-HXUWFJFHSA-N 357.861 3.609 0 40 FHAB O=C(C1CCCCC1)N(c1ccc(Cl)cc1)[C@H]1C=CS(=O)(=O)C1 4165221 PZMXNJCHCBNLFU-INIZCTEOSA-N 353.871 3.564 0 40 FHAB CSc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 4517403 LWXGOTGQDXECQH-SNVBAGLBSA-N 360.504 3.946 0 40 FHAB CCN(C(=O)c1c[nH]c2c(c(C)nn2-c2ccccc2)c1=O)c1ccccc1 7423999 JCLREEIVLWMJIS-UHFFFAOYSA-N 372.428 3.689 0 40 FHAB Cc1nnc(-c2cc3ccccc3n2CC(=O)N2CCCc3ccccc32)o1 9573797 FGDMODMZKYLWMB-UHFFFAOYSA-N 372.428 3.979 0 40 FHAB CN(C)C(=O)C1(Nc2ccccc2)CCN(Cc2ccc(Cl)cc2)CC1 2055751162 NWVNGWFXXOYCNA-UHFFFAOYSA-N 371.912 3.875 0 40 FHAB CC(C)(C)NC(=O)N1CCC(COc2cc(-c3ccccc3)ncn2)CC1 1775971949 ZVEHAFKTPTXVEP-UHFFFAOYSA-N 368.481 3.743 0 40 FHAB O=C(Nc1cccc(Cl)c1)NC1C[C@@H]2CC[C@H](C1)N2C1CCOCC1 1775967162 HWWBONIAESSUCL-ZNXRZULTSA-N 363.889 3.636 0 40 FHAB CCc1ccc(N2C(=O)[C@@H]3N=NN(c4ccc(F)c(Cl)c4)[C@H]3C2=O)cc1 23125910 SVLZSRCPZWECJR-HZPDHXFCSA-N 372.787 3.539 0 40 FHAB Cc1cc2ncc(CCCNC(=O)CCc3c(F)cccc3Cl)cn2n1 206821171 FFPWMCPVOAZYME-UHFFFAOYSA-N 374.847 3.512 0 40 FHAB O=C(N[C@H]1CCC[C@@H](OCC(F)(F)F)C1)c1ccc2ccccc2n1 40080969 ZMBCXXYXCHCUOO-UONOGXRCSA-N 352.356 3.855 0 40 FHAB COC(=O)c1ccc2c(O)nc(CN3CCC[C@@H]3c3ccsc3)nc2c1 40154225 RGKOAFUBYULDLX-MRXNPFEDSA-N 369.446 3.521 0 40 FHAB Cc1ccc(-c2nc(CSc3nnnn3Cc3ccco3)cs2)o1 30925098 RACJQWVKANQUQE-UHFFFAOYSA-N 359.436 3.632 0 40 FHAB Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1C 877763 WBDREANMUIMWQQ-UHFFFAOYSA-N 364.780 3.527 0 40 FHAB Cc1ccc(C)c2c1cc(C)c1nnc(SCC(=O)NC3CCCC3)n12 929695 LJKLYLAQLJCMTB-UHFFFAOYSA-N 368.506 3.959 0 40 FHAB CCOP(=O)(OCC)/C(=C\n1c(=S)[nH]c2ccccc21)C(=O)OC 1636595 HNJUDWYNIHDMGL-RAXLEYEMSA-N 370.367 3.936 0 40 FHAB Cc1cccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c1C 2184752 PBUAKUZPNYHRJJ-UHFFFAOYSA-N 352.415 3.823 0 40 FHAB O=C1CN(C(=O)C2CC2)[C@@H](c2ccc(F)cc2)c2cc(Cl)ccc2N1 2456379 QGEAKKNEIAQTNN-SFHVURJKSA-N 358.800 3.759 0 40 FHAB C[C@H](OC(=O)c1ccc2ncsc2c1)C(=O)N(C)Cc1ccccc1 2629629 RTMUNAVKJGFBIX-ZDUSSCGKSA-N 354.431 3.500 0 40 FHAB CC[C@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1CCC(C)C 2925082 WIEDJNBBFZVLOX-LBPRGKRZSA-N 367.540 3.511 0 40 FHAB CCOC(=O)c1ccc(-n2ccnc2)c(NC(=O)c2ccc(Cl)cc2)c1 3269874 LKAPABPKUDAHCX-UHFFFAOYSA-N 369.808 3.955 0 40 FHAB C[C@@H](NC(=O)COc1ncnc2sc3c(c12)CCCC3)c1ccccc1 3359699 VHOMKGNKUBIWMT-CYBMUJFWSA-N 367.474 3.826 0 40 FHAB O=C(NC1CCCCCC1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 3362665 OLXPGYDBHRHNGR-IBGZPJMESA-N 366.461 3.686 0 40 FHAB COc1ccc(Cc2nnc(Nc3cccc(Cl)c3C)nc2O)cc1 4225013 YZIAFCOPEHMDCX-UHFFFAOYSA-N 356.813 3.882 0 40 FHAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1cccc(F)c1 4305046 BBVMWNXYLUKSDX-LJQANCHMSA-N 350.393 3.953 0 40 FHAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2C)C1 4385225 NCZDOWZOLZHZCN-INIZCTEOSA-N 352.434 3.694 0 40 FHAB C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(C(=O)N2[C@@H](C)CCC[C@H]2C)nc1 4614217 YBWMSJFJYYAADB-LUKYLMHMSA-N 357.498 3.888 0 40 FHAB O=C(NCc1ccccc1F)C1CCN(C(=O)Nc2ccc(F)cc2)CC1 4965451 MIIFUOBHEYECAX-UHFFFAOYSA-N 373.403 3.525 0 40 FHAB CCCCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(F)cc1 5025982 NUEZTSCTSYYDQR-UHFFFAOYSA-N 374.441 3.782 0 40 FHAB Cc1ccc(OCC(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 5588774 ZVBJNHOZRVFYMO-UHFFFAOYSA-N 368.380 3.906 0 40 FHAB Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)cc1 5895898 ZEMYWHXLPVNOTC-UHFFFAOYSA-N 355.463 3.716 0 40 FHAB Cc1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c(C)c(C)c1C 7616072 PZSGYFKDQCNIIA-UHFFFAOYSA-N 352.544 3.508 0 40 FHAB Cc1csc(N(C(=O)c2ccccc2S(C)(=O)=O)c2ccccc2)n1 7814049 FECHRLFXOFBFKG-UHFFFAOYSA-N 372.471 3.834 0 40 FHAB Cc1ccc(N(CCCC(=O)Nc2ccc(C)cc2C)S(C)(=O)=O)cc1 8497431 XYCLPWHZXYXRDN-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB Cc1nc2sccn2c1C(=O)c1ccc(NC(=O)c2ccco2)cc1 8709980 CFKCHVNILINJCI-UHFFFAOYSA-N 351.387 3.781 0 40 FHAB CCc1nc2ccccc2c(C(=O)NC[C@H]2COc3ccccc3O2)c1C 8942674 AITYRGSHCFNVAU-HNNXBMFYSA-N 362.429 3.675 0 40 FHAB CCN1C(=O)c2cc(NS(=O)(=O)C(C)C)ccc2Oc2ccccc21 8961140 OPBRHWZEDDSGBH-UHFFFAOYSA-N 360.435 3.609 0 40 FHAB CC(=O)NCc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1 9366752 ZVMUKDHPNADWCQ-UHFFFAOYSA-N 361.239 3.646 0 40 FHAB O=C(c1cccc2ccccc12)N1CCC[C@H](C(=O)N2CCCCC2)C1 9503089 OKUYLBVOMRFRNZ-SFHVURJKSA-N 350.462 3.705 0 40 FHAB O=c1[nH]c(=O)n(C2CCCCC2)c2nccc(-c3ccc(Cl)cc3)c12 9936565 MZOZSOOIHRDWAU-UHFFFAOYSA-N 355.825 3.910 0 40 FHAB Cc1cc(Cl)ccc1NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 10314348 HVTODXCZKCCIQP-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB Cc1ccc([C@@H](CNC(=O)COc2ccc3ccccc3c2)N(C)C)cc1 10328844 POAXYOITRRCJAG-JOCHJYFZSA-N 362.473 3.946 0 40 FHAB O=C(CSc1nc(/C=C/c2ccco2)n[nH]1)Nc1ccc(Cl)cc1 10623766 MJURLMHAJSCTIZ-BQYQJAHWSA-N 360.826 3.952 0 40 FHAB O=C(CCSc1nc(Cc2cccs2)n[nH]1)Nc1cccc(F)c1 10635317 CHBSNLQYJXEKEL-UHFFFAOYSA-N 362.455 3.717 0 40 FHAB Cc1cc(C)c(NC(=O)CNc2ccccc2C(=O)NC2CC2)c(C)c1 10755101 BOUSLFRFQSSPCW-UHFFFAOYSA-N 351.450 3.555 0 40 FHAB CCc1ccc(C(=O)[C@@H](C)OC(=O)c2nc(SC)ncc2Cl)cc1 11572845 XXFSRSXIHZYUEU-SNVBAGLBSA-N 364.854 3.843 0 40 FHAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(Cc3ccccc3F)C2)C1 12087205 DIBCLEKILFKQMJ-JOCHJYFZSA-N 368.452 3.601 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nc(O)c2ccccc2n1 12401787 BAZGEONHJRHCHX-AWEZNQCLSA-N 367.474 3.565 0 40 FHAB biogenic,in-vitro Cc1ccc(Nc2nc(C(N)=O)c(NC(=O)c3ccccc3F)s2)cc1 12461699 XSULQIUWPUIDPD-UHFFFAOYSA-N 370.409 3.685 0 40 FHAB COc1cc([C@@H]2NC(=O)c3ccccc3N2)cc(Cl)c1OC(F)F 12537352 LEHYIGVIDJDUKR-AWEZNQCLSA-N 354.740 3.804 0 40 FHAB Cn1c(SCC(=O)Nc2nc3c(s2)CCCC3)nc2ccccc21 12550792 PELVBGORTZCCOO-UHFFFAOYSA-N 358.492 3.639 0 40 FHAB COc1ccc(-c2cc(CNC(=O)Cc3cccc(C)c3)no2)cc1OC 12638904 TXWJAJPRODRFJB-UHFFFAOYSA-N 366.417 3.526 0 40 FHAB C[C@H]1CN(C(=O)[C@@H](C)Nc2ccc(Oc3ccccc3)cc2)C[C@@H](C)O1 12641128 MCCUSHKWPJUIFZ-IXDOHACOSA-N 354.450 3.915 0 40 FHAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCCSc1ccc(C)cc1 12757154 HOQLDSJYDVVIBA-INIZCTEOSA-N 366.486 3.719 0 40 FHAB COc1ccc(-c2noc([C@H](C)NC(=O)c3cccc(Cl)c3)n2)cc1 13495070 GEXGBZHHZSOHTL-NSHDSACASA-N 357.797 3.890 0 40 FHAB CCOc1cc(/C=C2\SC(=O)N(c3ccc(O)cc3)C2=O)ccc1O 13639091 WMZFYAJFXCCOKB-YBEGLDIGSA-N 357.387 3.737 0 40 FHAB COc1ccc(S(=O)(=O)NCCCc2ccc(Cl)cc2)cc1Cl 13670997 NGIBXHZDXDXJGC-UHFFFAOYSA-N 374.289 3.913 0 40 FHAB COc1cccc(C(=O)NCc2ccccc2OC(F)(F)F)c1OC 14246616 GTUGSVBQWUAGSJ-UHFFFAOYSA-N 355.312 3.532 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)COc1cccc2ccc(C)nc12 14339494 JSQAHMQRFMHCDG-HNNXBMFYSA-N 350.418 3.808 0 40 FHAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3c(C)cccc3C(C)C)ccc21 15243678 CFWQZWQFWQIHAS-UHFFFAOYSA-N 372.490 3.828 0 40 FHAB O=C(c1cnn(-c2cccc(Br)c2)c1)c1cc(F)ccc1O 15462897 PTQOEHKPEDLYCN-UHFFFAOYSA-N 361.170 3.711 0 40 FHAB CNS(=O)(=O)c1ccc(NC(=O)c2sccc2-c2ccccc2)cc1 15810636 XHTHBGMQIRKWOF-UHFFFAOYSA-N 372.471 3.576 0 40 FHAB C[C@@H]1CC[C@H]2C(=O)N(c3cccc(OC(=O)c4cccs4)c3)C(=O)[C@@H]2C1 18241332 MKLNZEWINHIHFL-DAXOMENPSA-N 369.442 3.893 0 40 FHAB Cc1cccc(CC(=O)N2CCC[C@H]2c2nnc(-c3scnc3C)o2)c1 19234724 UVSJSNYZFVLRBM-HNNXBMFYSA-N 368.462 3.716 0 40 FHAB O=C(NCCc1ccc(C(F)(F)F)cc1)[C@H]1CCN1C1CCCCC1 19660117 SMHRNQRLPHTDOM-QGZVFWFLSA-N 354.416 3.771 0 40 FHAB O=C(OCCOc1c(Cl)cccc1Cl)c1ccccc1NCCO 21176122 ZAIGITZTNPAKPT-UHFFFAOYSA-N 370.232 3.633 0 40 FHAB C[C@H]1Oc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2NC1=O 21641041 SGHWYMFHWBUADW-MRVPVSSYSA-N 351.189 3.965 0 40 FHAB O=C(NC1CC1)c1cccc(NC(=O)c2cc(-c3cccs3)on2)c1 22229668 CIEJCRVYFWMULK-UHFFFAOYSA-N 353.403 3.548 0 40 FHAB O=C(Cc1csc(Nc2ccc(F)cc2)n1)NCCc1ccccc1 23236036 SAOLXAFOZXWOCB-UHFFFAOYSA-N 355.438 3.927 0 40 FHAB O=S(=O)(c1ccc(NCc2cccc(Cl)c2)nc1)N1CCCCC1 24032739 SGWDTHOYIMYNIB-UHFFFAOYSA-N 365.886 3.522 0 40 FHAB COc1cccc(N2C[C@H](C(=O)N[C@@H](C)c3cccc(Cl)c3)CC2=O)c1 24748120 GCRCYGSGDDPXJX-DZGCQCFKSA-N 372.852 3.579 0 40 FHAB O=C(Cc1ccccc1F)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 24931377 CIRGBJHBXGMUSH-HXUWFJFHSA-N 363.436 3.807 0 40 FHAB COCc1cccc(NC(=O)c2ccc(I)cc2)c1 25334833 QYGFKWUYUFHSAF-UHFFFAOYSA-N 367.186 3.690 0 40 FHAB COc1ccc(C(=O)OCc2nc3ccccc3n2C(F)F)c(F)c1 25619902 PPPMUTUAOZRGAH-UHFFFAOYSA-N 350.296 3.936 0 40 FHAB COc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cccc3)cc2)cc1OC 28303918 FCYVGUYARKXTJL-HNNXBMFYSA-N 350.418 3.986 0 40 FHAB COc1ccc(OCC(=O)N(Cc2cccc3[nH]ccc23)C2CC2)cc1 32074042 CSVWHGOIZWVPJH-UHFFFAOYSA-N 350.418 3.747 0 40 FHAB Cc1nc(SCC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)n(C2CC2)c1C 32894134 AEBYAIGSBCYREL-LBPRGKRZSA-N 373.478 3.533 0 40 FHAB Cc1cc(NC(=O)c2ccc(C(F)(F)F)cn2)ccc1N1CCCC1=O 32903184 LZCTUQPYTMWGEO-UHFFFAOYSA-N 363.339 3.788 0 40 FHAB COc1cccc(-c2cc3nc4c(c(NCc5cccnc5)n3n2)CCC4)c1 35315439 NKDQUMRCQFJRMH-UHFFFAOYSA-N 371.444 3.901 0 40 FHAB Cc1ccccc1OCCN(C)C(=O)c1cccc(OC[C@H]2CCCO2)c1 40047191 RLTIXNVKOHJSJV-HXUWFJFHSA-N 369.461 3.704 0 40 FHAB Cc1nc(Cc2nc(-c3cc(C)n(-c4ncn[nH]4)c3C)cs2)cs1 40086303 QARWSYBBOIAMNO-UHFFFAOYSA-N 356.480 3.691 0 40 FHAB CCOC(=O)Nc1ccc(NC(=O)N2CCC(CN3CCCC3)CC2)cc1 40120660 MGNZIRGSIRTBGH-UHFFFAOYSA-N 374.485 3.595 0 40 FHAB COc1ccc(S[C@@H](C)C(=O)NC[C@H](c2ccsc2)N(C)C)cc1 40153894 JFCVWSWUOJCBTF-SUMWQHHRSA-N 364.536 3.656 0 40 FHAB O=S(=O)(Cc1nc(-c2ccccc2)no1)[C@H]1CCCc2ccccc21 42152953 HIHXMVHACWWAKU-KRWDZBQOSA-N 354.431 3.729 0 40 FHAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3scnc3C)n2)cc1 43268742 BUXPLNULRKPZIC-UHFFFAOYSA-N 358.448 3.786 0 40 FHAB C[C@H](SCc1ccccc1)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 44342836 DXYSCNWHIHWYDT-CVEARBPZSA-N 366.490 3.766 0 40 FHAB CC1CCN(Cc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2)CC1 44901744 WAIOFDKRNAEPQN-UHFFFAOYSA-N 352.434 3.869 0 40 FHAB C[C@H](NC(=O)Nc1ccc(OC(F)F)cc1)c1ccc2c(c1)OCO2 48325452 BVDFYNBLWOBKCG-JTQLQIEISA-N 350.321 3.899 0 40 FHAB COc1cc([C@@H](C)NC(=O)[C@H]2CCCO2)ccc1OCc1ccccc1 48367410 ZVOTWDZTXSPSSR-DNVCBOLYSA-N 355.434 3.630 0 40 FHAB CCOc1cccc(NC(=O)c2cccc(I)c2)c1 48442485 SVPLVCUCCYFTDS-UHFFFAOYSA-N 367.186 3.942 0 40 FHAB COc1cccc(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc23)c1 49004589 DCZXYUQRMYBCBW-UHFFFAOYSA-N 362.433 3.926 0 40 FHAB Cc1cccc(Cl)c1NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O 51319611 UOYDIZVYNWMFRT-UHFFFAOYSA-N 371.799 3.650 0 40 FHAB CC(=O)Nc1cc(NS(=O)(=O)c2ccc(F)cc2Cl)ccc1C 55615297 QJSJEVDYZFODKU-UHFFFAOYSA-N 356.806 3.547 0 40 FHAB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1nc(C2CC2)no1 55714588 FXBYDXSUYQCJLE-CQSZACIVSA-N 363.417 3.698 0 40 FHAB O=C(Nc1ccc2c(c1)OCCO2)C1(c2ccc(Cl)cc2)CCOCC1 57178814 SIOLFYWKWUZLMQ-UHFFFAOYSA-N 373.836 3.798 0 40 FHAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NO[C@H]1CCCCO1 58149365 UZBPPRSXTNAHPG-KRWDZBQOSA-N 350.802 3.502 0 40 FHAB CCOC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(-c3nccs3)cc2)C1 58175718 RGOATKXGJWZPKM-CQSZACIVSA-N 359.451 3.617 0 40 FHAB CC[C@@H](C)n1c(SCC(=O)NCC(F)(F)F)nnc1-c1ccccc1 58197243 BXJDJMYVFGGBBE-LLVKDONJSA-N 372.416 3.687 0 40 FHAB CC(C)(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 59288730 ZJKOWGSJXGHDNR-UHFFFAOYSA-N 366.870 3.669 0 40 FHAB CC(C)N(Cc1ccccc1)c1ncc(C(=O)Nc2ccccc2)c(N)n1 71328255 XYNAIGSIZKNDKR-UHFFFAOYSA-N 361.449 3.726 0 40 FHAB CC(C)(C)c1nnc(NC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)s1 72310095 AHCSODAKBVMGAV-CQSZACIVSA-N 362.474 3.578 0 40 FHAB Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2C(=O)C2CCC2)n1 72354768 DYYRDUVWKLLRNC-INIZCTEOSA-N 356.857 3.843 0 40 FHAB O=C(CCC(=O)c1cccs1)NC1CCN(c2cccc(F)c2)CC1 78840108 LHDLRHQJBKFWHK-UHFFFAOYSA-N 360.454 3.635 0 40 FHAB Cc1ccc(-c2nc(CC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)cs2)cc1 85432533 QAPUWSJJOIQFEX-UTKZUKDTSA-N 370.518 3.815 0 40 FHAB CC(C)N(C)C1CCN(C(=O)c2cnc(Cc3ccccc3)s2)CC1 95410139 VBSQQSKHNVIJOH-UHFFFAOYSA-N 357.523 3.679 0 40 FHAB C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)OC(=O)c1ccco1 95431875 DLQGNPAHKXYSSF-YOEHRIQHSA-N 359.422 3.961 0 40 FHAB C[C@H](NC(=O)Nc1cccn(C)c1=O)c1c(Cl)ccc(F)c1Cl 95962292 NDCMRZWQYXDHSJ-QMMMGPOBSA-N 358.200 3.714 0 40 FHAB Cc1nc(C(=O)N(C)C)ccc1C(=O)Nc1nc(-c2cccs2)cs1 103730239 XAALLVLCZIQJHC-UHFFFAOYSA-N 372.475 3.529 0 40 FHAB Cc1nnc(S/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)C(=O)O)o1 211527993 OZOTXCSUFVAOAR-ZSOIEALJSA-N 372.358 3.554 0 40 FHAB CC[C@@H](NC(=O)COc1ccc(C)cc1C)c1ccc(OC)c(OC)c1 222830082 JTZMXSZMOOKNSZ-QGZVFWFLSA-N 357.450 3.967 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 224224406 FRHQVYCMBCTXQU-OAQYLSRUSA-N 366.505 3.789 0 40 FHAB Cc1ccc(C(=O)N[C@@H](C)C(C)C)cc1NS(=O)(=O)c1ccccc1 225204751 OOIXPKGPIBDPTK-HNNXBMFYSA-N 360.479 3.570 0 40 FHAB CC(C)(C)SCCNC(=S)Nc1ccc(N2CCCC2=O)cc1 225351889 YOCMKWRPLPDCOS-UHFFFAOYSA-N 351.541 3.632 0 40 FHAB CCOc1cccc(NC(=S)NCc2ccc(-n3ccnc3)cc2)c1 225454288 CAKZDVCKQMYRSB-UHFFFAOYSA-N 352.463 3.758 0 40 FHAB O=C(c1ccc(Cl)cc1)N1CC[C@H]2COC(=O)N2c2ccccc2C1 225482756 WKIPJBYODIBWFP-INIZCTEOSA-N 356.809 3.711 0 40 FHAB biogenic,in-vitro COc1cccc(NC(=O)[C@H](C)Oc2nn(-c3ccccc3)cc2C)c1 227158683 NOPHCDVICMMKMW-HNNXBMFYSA-N 351.406 3.595 0 40 FHAB CCOC(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2cc(Cl)ccc2N1 253596251 OZSYVNDSCSKJEF-YOVKBJGQSA-N 362.857 3.581 0 40 FHAB Cc1cc([C@H]2CCCCN2C(=O)CCc2cccs2)nc2nccn12 257239079 HNWDSABZNGJHGX-QGZVFWFLSA-N 354.479 3.786 0 40 FHAB CC(C)N1CC[C@H](c2ccnc(Nc3cc(C(F)(F)F)ccn3)n2)C1 257302910 SEYBDRLQGKSHJD-LBPRGKRZSA-N 351.376 3.832 0 40 FHAB Fc1cccc(CN2CC[C@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)c1 306131769 KPIDZIHNMRTPPN-FQEVSTJZSA-N 369.465 3.926 0 40 FHAB Cc1cc(C)nc(O[C@@H]2CCN(C(=O)c3cc4ccccc4s3)C2)n1 390829466 ZEXIYZLIPZEVNH-OAHLLOKOSA-N 353.447 3.602 0 40 FHAB O=C(C[C@H](c1ccccc1)n1cccc1)NC[C@@H]1CCCN2CCCC[C@H]12 524731226 OQRRYWQLAGKMIX-BHDDXSALSA-N 365.521 3.848 0 40 FHAB biogenic Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(Cl)c3c(c1)OCCCO3)CO2 531659013 BEMMQZNVQGCLGV-HNNXBMFYSA-N 359.809 3.673 0 40 FHAB O=C(N[C@H]1CCCc2sc(Cl)cc21)c1ccccc1-n1ccnn1 557818441 IWSDCBCRTBBEQM-ZDUSSCGKSA-N 358.854 3.790 0 40 FHAB CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 572702798 MIPSDYQLVMXBEF-KBAYOESNSA-N 358.486 3.561 0 40 FHAB CC(=O)N[C@]1(c2nc(-c3cc4cc(Cl)ccc4o3)cs2)CCNC1 647609694 ZEXHPFBOCCSBHV-QGZVFWFLSA-N 361.854 3.534 0 40 FHAB CN(Cc1cccc(-c2ccc(Oc3nccn(C)c3=O)cc2)c1)C1CC1 649438772 RIIDDNYNVTVVLV-UHFFFAOYSA-N 361.445 3.834 0 40 FHAB O=C(Nc1ccc(F)cc1)c1ccc(CN[C@@H]2COC3(CCC3)C2)cc1 657907811 RCPRRAVRIDFQLC-IBGZPJMESA-N 354.425 3.879 0 40 FHAB COc1cc2c3c(c1)[C@](O)([C@H]1CCCCCC1=O)C(=O)N3C(C)(C)C=C2C 1740816834 XGHJEPIWKNJMID-KSFYIVLOSA-N 369.461 3.574 0 40 FHAB Cc1csc(C(=O)N2CC[C@H](Oc3ccncc3Br)C2)c1 1776001725 IFTWXQNBPDFUNO-NSHDSACASA-N 367.268 3.508 0 40 FHAB Cc1c[nH]nc1C[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 1848352363 DKFISMBJCKIYNY-MRXNPFEDSA-N 350.466 3.613 0 40 FHAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@]1(C)CC1(Cl)Cl 3259827 SAUMRMSSNUNTFK-INIZCTEOSA-N 358.265 3.877 0 40 FHAB CC[n+]1cn(C[C@@H](O)COc2ccc(Cl)cc2)c2cc(C)c(C)cc21 781061 MACUYUKUMPTZNA-QGZVFWFLSA-N 359.877 3.659 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)c2n[nH]c3ccccc23)cc1OC 24969854 GRCCQTAMVAULDY-INIZCTEOSA-N 351.406 3.557 0 40 FHAB CC(=O)c1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc1 869755 YHECRELNGJINHY-UHFFFAOYSA-N 365.355 3.622 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1C 886594 UASJQJOLIDKELB-CQSZACIVSA-N 367.478 3.613 0 40 FHAB CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccc(O)cc1 886725 ASCHTSXZXKNBHA-UHFFFAOYSA-N 369.446 3.654 0 40 FHAB CCc1cccc(CC)c1NC(=O)[C@H]1CCCN(c2nccc(C)n2)C1 1358088 GDKVARJFONIDRS-SFHVURJKSA-N 352.482 3.765 0 40 FHAB CCOc1ccc(-c2cc(-n3c(=S)[nH]c4ccccc4c3=O)[nH]n2)cc1 35178543 KTVGIYQIXMIXGC-UHFFFAOYSA-N 364.430 3.837 0 40 FHAB O=C(NCCSC1CCCC1)Nc1cc2c(cc1Cl)OCCO2 43902029 UCXWQJYAPLGIAX-UHFFFAOYSA-N 356.875 3.909 0 40 FHAB CCOc1ccc(NC(=O)[C@H]2CCCN(CCc3ccccc3)C2)cc1 4429621 IVBGOSVLURUGPB-IBGZPJMESA-N 352.478 3.979 0 40 FHAB O=C(NCCc1c(F)cccc1F)c1cc2c(nc3sccn32)s1 57110457 ZTRZIWMEGWQRGS-UHFFFAOYSA-N 363.414 3.861 0 40 FHAB CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(NC(=O)COC)cc1 44119726 LJYVCCXQEZFDSA-MRXNPFEDSA-N 373.478 3.874 0 40 FHAB COc1cc(C(=S)N2CCOCC2)ccc1OCCCc1ccccc1 1792328 PATCUKPLFFSNJX-UHFFFAOYSA-N 371.502 3.715 0 40 FHAB CC(C)Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 6345803 PMPLIMUVXFIZOU-CQSZACIVSA-N 356.397 3.605 0 40 FHAB COc1ccc(C)cc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 6395249 QMLKZWMTJKIVHP-UHFFFAOYSA-N 370.424 3.634 0 40 FHAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)NCc1ccccc1 6508126 JRNDKTRGZZQRNJ-UHFFFAOYSA-N 372.424 3.532 0 40 FHAB CC[C@@H]1CN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC[C@H]1NC(=O)OC(C)(C)C 108136169 BTAPQEKSDGUSBC-FLXSYLCISA-N 364.530 3.965 0 40 FHAB Cc1ccc(OCC(=O)NCc2ccccc2CN2CCCC2)cc1C 8011803 PONOKZZBOXMGNR-UHFFFAOYSA-N 352.478 3.594 0 40 FHAB O=C(COc1ccc(Cl)cc1)NCc1ccc(CN2CCCC2)cc1 8429917 TVJVOKRECLCBJP-UHFFFAOYSA-N 358.869 3.631 0 40 FHAB COC(=O)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1 100971731 XYEPZFXWJXPTAL-RYPNDVFKSA-N 373.499 3.875 0 40 FHAB COc1cc(OC)c(C(=O)NCC2(c3ccccc3)CCC2)cc1OC 10221360 BGMGWLMHVOBGEY-UHFFFAOYSA-N 355.434 3.564 0 40 FHAB CN1CCc2nc(NC(=O)c3ccnc(Oc4ccccc4)c3)sc2C1 58228430 IJDZUDVRLLBNIV-UHFFFAOYSA-N 366.446 3.571 0 40 FHAB Cc1c([C@@H](C)NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)oc2ccccc12 58250709 YFTZABRDQGXHEZ-ZBFHGGJFSA-N 354.450 3.567 0 40 FHAB CC(C)(C)OC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 2247400 DKQYEQBUEUPXIP-UHFFFAOYSA-N 364.405 3.763 0 40 FHAB COc1ccc(C)cc1CN(C)C(=O)[C@H](NC(=O)C1CCCCC1)C(C)C 22276592 WHRZPEOCNOJERK-HXUWFJFHSA-N 374.525 3.683 0 40 FHAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)NC1CCCCC1 2330401 GLRNCRXERQXQSP-UHFFFAOYSA-N 359.426 3.807 0 40 FHAB Cc1cccn2cc(COc3ccc(C(=O)NCc4ccncc4)cc3)nc12 11660001 QVTMJXARTJQYEB-UHFFFAOYSA-N 372.428 3.547 0 40 FHAB COc1ccc(CNC(=O)c2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)cc1 11913906 JUIXHPKYYANCJA-CYBMUJFWSA-N 364.401 3.604 0 40 FHAB C[C@]12CO[C@]3(C(=O)Nc4ccccc4Br)C[C@@H]1CC[C@@]23C 100983367 ODTQSVJTRLNQCN-SPOWBLRKSA-N 350.256 3.983 0 40 FHAB O=C(NCc1ccc(F)cc1)c1cc2nccc(-c3ccc(F)cc3)n2n1 2793696 DPGJASSDOHEXSN-UHFFFAOYSA-N 364.355 3.605 0 40 FHAB COc1ccc(CCC2CCN(C(=O)c3ccnc(C4CC4)n3)CC2)cc1 95958390 BMHJGQRINQHIRG-UHFFFAOYSA-N 365.477 3.848 0 40 FHAB O=C(Nc1nc(-c2cccnc2)cs1)c1cnn(Cc2ccccc2)c1 12589537 QRFGZNZVHZGBNO-UHFFFAOYSA-N 361.430 3.702 0 40 FHAB C[C@@]1(C(=O)N(Cc2ccccc2)c2ccccn2)Cc2ccccc2C(=O)O1 12550442 TZPUPWSPAJYBPL-QHCPKHFHSA-N 372.424 3.787 0 40 FHAB COc1ccc([C@H]2CCCN2CC(=O)N(C)Cc2ccc(C)cc2)cc1 12787976 ZYOXEKOXIBZAJW-OAQYLSRUSA-N 352.478 3.799 0 40 FHAB CCc1ccc(OCCCC(=O)Nc2nncs2)c(Br)c1 28232642 DWMYFKJUXOMMQM-UHFFFAOYSA-N 370.272 3.661 0 40 FHAB CCNC(=O)COc1ccc(C(=O)N[C@H](C)c2ccc(C(C)C)cc2)cc1 12853591 LNVITPCOOIVZOC-MRXNPFEDSA-N 368.477 3.816 0 40 FHAB c1cn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccsc3)nc2cn1 3896502 WXPPHLSGZIJGBZ-UHFFFAOYSA-N 350.403 3.973 0 40 FHAB CN(C)S(=O)(=O)c1ccc(CS[C@H]2CCCc3ccccc32)o1 89322630 CGYADKNXJAZPDI-INIZCTEOSA-N 351.493 3.841 0 40 FHAB O=C(CSc1nnc2c(Cl)cc(Cl)cn12)N1CCCCCC1 6099519 RSXGUTBVSMSMET-UHFFFAOYSA-N 359.282 3.531 0 40 FHAB CC[C@@H](Oc1ccc(Br)cc1F)C(=O)Nc1cc(C)on1 9499373 PGXUQGVQVMWOJX-LLVKDONJSA-N 357.179 3.681 0 40 FHAB COc1ccc(-n2ccnc2SCC(=O)N[C@H](C)c2ccccc2)cc1 5262915 ZFOIKNMHJVNBFZ-OAHLLOKOSA-N 367.474 3.850 0 40 FHAB O=C(CSC[C@H](O)c1ccccc1)N1CCc2[nH]c3ccccc3c2C1 65476472 NCEHARXCMOZWRB-FQEVSTJZSA-N 366.486 3.519 0 40 FHAB CCOc1ccc(NC(=O)CSc2nc3cc(Cl)cnc3[nH]2)cc1 5310441 CRGPJLCBYGVQOH-UHFFFAOYSA-N 362.842 3.741 0 40 FHAB COc1ccccc1CN(C)C(=O)C[C@H]1c2ccccc2C=CN1C(C)=O 14254527 FFVABPHQAVRHBC-FQEVSTJZSA-N 364.445 3.618 0 40 FHAB Cc1ccnc2nc(C(=O)N[C@@H](C)c3ccc(-c4ccccc4)cc3)nn12 9503705 GFLZQFBRCBMPHT-HNNXBMFYSA-N 357.417 3.591 0 40 FHAB Cc1ccc2c(CN3C(=O)N[C@@](C)(CCC(C)C)C3=O)cc(=O)oc2c1C 6608793 XBIPXYXMLZXILN-NRFANRHFSA-N 370.449 3.657 0 40 FHAB CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccc(F)cc1 4736209 YIULPCYJYYRRFZ-UHFFFAOYSA-N 370.453 3.513 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccccc2Br)C1 67801301 BQHSQMQLYLXFGR-AWEZNQCLSA-N 369.303 3.938 0 40 FHAB CCC(C)(C)NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 7546499 UVVYKEZHTHZHRC-UHFFFAOYSA-N 350.513 3.738 0 40 FHAB CCc1cc2c(=O)n3c(nc2s1)/C(=C/c1cccc(OC)c1OC)CC3 7700658 KKBWBCICBISHQM-JLHYYAGUSA-N 368.458 3.982 0 40 FHAB CC(C)CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 7968861 UTMGWUWEMZJEPX-CYBMUJFWSA-N 374.934 3.535 0 40 FHAB Cn1ncc2c1CCC[C@H]2NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1 24994938 TZADUTJOYQWKGJ-OAGJVSPASA-N 366.852 3.829 0 40 FHAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cccnc2Cl)c(C)n1C(C)C 16911175 LTYKLJSVYZJLES-CYBMUJFWSA-N 363.845 3.918 0 40 FHAB O=C(COc1ccccc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 8428126 ALCDOQSIKFDLNV-INIZCTEOSA-N 368.458 3.887 0 40 FHAB Cc1cc(C)n(-c2ccc(NC(=O)c3cnc(-c4ccccc4)nc3)cn2)n1 84105166 NGHKUYJOBJEAMO-UHFFFAOYSA-N 370.416 3.593 0 40 FHAB C[C@@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1ccc(F)c(Cl)c1 8748749 PLUKFSZWGIBHDB-SNVBAGLBSA-N 361.760 3.935 0 40 FHAB CCOc1cc(C=O)cc(Cl)c1OCC(=O)Nc1ccccc1F 9232145 MBPYYLJZGFUQDB-UHFFFAOYSA-N 351.761 3.708 0 40 FHAB CCc1cccc(C)c1NS(=O)(=O)c1cc(C(=O)OC)ccc1Cl 26527553 PAXVNIOPAWITJN-UHFFFAOYSA-N 367.854 3.798 0 40 FHAB Cc1ccc(-c2nnc(CC(=O)NCCc3ccc(Cl)cc3)o2)cc1 62007226 UTIUKNPMHJUYRG-UHFFFAOYSA-N 355.825 3.600 0 40 FHAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCSc3c(F)cccc32)c1 1543624440 HZQBAQLUYMCPNQ-HNNXBMFYSA-N 372.421 3.623 0 40 FHAB CCN(C(=O)[C@H](C)S(=O)(=O)Cc1cc(C)ccc1C)c1ccccc1 32929580 JYVXZJQTDBXZKI-KRWDZBQOSA-N 359.491 3.660 0 40 FHAB CCc1nnc(S[C@H](C)C(=O)Nc2nc(C)c(C)s2)n1CC(C)C 72192019 OQEGTOIWKBNXFP-GFCCVEGCSA-N 367.544 3.689 0 40 FHAB C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](c1ccco1)N1CCCC1 27333653 USEMTEUXFTWTGY-WMLDXEAASA-N 362.857 3.654 0 40 FHAB CCOc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 72228103 WJNXHCXHECUVQI-HOTGVXAUSA-N 350.340 3.519 0 40 FHAB Cc1ccc(CN2CCC(C(=O)Nc3ccc(C(=O)O)cc3)CC2)cc1 39753774 DNZQHQKRRXIIKK-UHFFFAOYSA-N 352.434 3.544 0 40 FHAB COc1cccc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)c1 222791734 ADVGQGYNKJMWQW-UHFFFAOYSA-N 361.397 3.944 0 40 FHAB O=C1CCCN1c1ccc(OCC(=O)N2CCCCc3ccccc32)cc1 40133967 KXHUZQNVPIHLGU-UHFFFAOYSA-N 364.445 3.562 0 40 FHAB CCCc1ccc(OCCNS(=O)(=O)Cc2ccc(Cl)cc2)cc1 224176761 VLIRSIDKUUEBIU-UHFFFAOYSA-N 367.898 3.791 0 40 FHAB CCCC(=O)Nc1nc(-c2ccc(OCC)c(C)c2)c(CC(=O)O)s1 85397431 YILOTRSUNXRJKV-UHFFFAOYSA-N 362.451 3.883 0 40 FHAB Cc1ccc2c(=O)cc(CSCC(=O)NCc3ccccc3)[nH]c2c1C 41077349 OTFPTQSVHOISGX-UHFFFAOYSA-N 366.486 3.695 0 40 FHAB COc1cccc(CN2CCC[C@@]3(CCN(Cc4cccnc4)C3)C2)c1 96215582 LQGVOPLUDPBNHJ-JOCHJYFZSA-N 351.494 3.578 0 40 FHAB Cc1n[nH]c(C)c1CCC(=O)N[C@H]1CCCc2c1[nH]c1ccc(F)cc21 96117745 KIQUMMXARDUOTH-SFHVURJKSA-N 354.429 3.773 0 40 FHAB Cc1[nH]nc2ncc(C(=O)N[C@H]3C[C@H](c4cccc(C(F)(F)F)c4)C3)cc12 584091860 BOWYQPZMDQUSRP-NNUKFRKNSA-N 374.366 3.961 0 40 FHAB O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(Cc1nccs1)CC2 96100266 PLTKICKUPOMMSF-LJQANCHMSA-N 367.518 3.719 0 40 FHAB COc1cccc(CC(=O)N[C@@H]2CCCc3ccc(OC(C)C)cc32)n1 585080649 MXFLVKYIHQJONP-LJQANCHMSA-N 354.450 3.614 0 40 FHAB CCc1nc2ccc(C(=O)N[C@@H]3CCN(Cc4ccsc4)C3)cc2s1 618257441 WHWSZAFRNJAIGP-OAHLLOKOSA-N 371.531 3.925 0 40 FHAB C[C@H](NC(=O)Nc1cc([C@H]2CCCO2)nn1C)c1ccc(F)c(Cl)c1 279029270 PWVGUXGLJSIWHV-ZUZCIYMTSA-N 366.824 3.947 0 40 FHAB O=C(NC1CCN(c2nc3cccnc3s2)CC1)c1cccc(Cl)c1 390828015 NLJKQJJDXIMNHC-UHFFFAOYSA-N 372.881 3.744 0 40 FHAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)NCCc1ncc(C)cc1C 654410852 CJFUVBRIULIMEW-FQEVSTJZSA-N 353.466 3.626 0 40 FHAB Cc1ncc(-c2nccnc2CC2CCN(c3ccc(F)cc3)CC2)n1C 585179614 JPUVOOWNWKWTIV-UHFFFAOYSA-N 365.456 3.784 0 40 FHAB CCCCc1c(C)nc2nc(SCc3nnsc3Cl)nn2c1C 48356256 MNGPEAFQCJVNJL-UHFFFAOYSA-N 368.919 3.881 0 40 FHAB CN(C)c1ccc(NC(=O)[C@@H](c2ccccc2)N2CCc3ccccc32)nc1 78612931 DSGDOTHHIKHUJI-JOCHJYFZSA-N 372.472 3.890 0 40 FHAB C[C@](O)(CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC1 62021711 ZSKJBKQHTVXYED-ZDUSSCGKSA-N 355.278 3.615 0 40 FHAB CC1(C)[C@@H]2CC[C@]1(C)c1nnc(SCC(=O)Nc3ccccc3)nc12 100190400 GBBNQFROPRFRRA-BFUOFWGJSA-N 354.479 3.777 0 40 FHAB C[C@@H](NC(=O)c1ccc(-n2cnnc2)cc1Cl)c1ccc2c(c1)CCC2 12148338 SFKPGGPTXYBOEN-CYBMUJFWSA-N 366.852 3.900 0 40 FHAB Cc1ncccc1-c1cc2cccnc2n1CCCNC(=O)C(C)(C)C 12222801 NMOSVOXSOQNODD-UHFFFAOYSA-N 350.466 3.959 0 40 FHAB Cc1sc2nc(C3CC3)n(C3CCN(C(=O)C(C)C)CC3)c(=O)c2c1C 12336906 WNSJHDDHQVXMAW-UHFFFAOYSA-N 373.522 3.772 0 40 FHAB COc1cccc(C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)c1 13494948 CUUVSFWDKGTZJP-LLVKDONJSA-N 357.797 3.890 0 40 FHAB Cc1cc(C)c(S(=O)(=O)Nc2ccn(Cc3ccc(F)cc3)n2)c(C)c1 14225605 XWIIKZJLJXMKIQ-UHFFFAOYSA-N 373.453 3.797 0 40 FHAB COc1ccc(O)c(NC(=S)NC(=O)c2cccc3ccccc23)c1 14257623 IZNSZCOPEPKRBK-UHFFFAOYSA-N 352.415 3.681 0 40 FHAB Cc1cc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)on1 14675896 YZWGFSDTRFNWHI-UHFFFAOYSA-N 353.407 3.570 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)NCc1csc(-c2ccccc2)n1 15832344 VPUPCPHIAAJYAR-CQSZACIVSA-N 368.458 3.902 0 40 FHAB CCC(=O)NC(=S)Nc1ccc(NC(=O)c2cc(C)cc(C)c2)cc1 17073493 YZOPOAMHNDFDTO-UHFFFAOYSA-N 355.463 3.779 0 40 FHAB O=C(NCCc1nc(-c2ccc(Cl)cc2)cs1)c1cncc(O)c1 19336910 MYFWCDOEPHNNDH-UHFFFAOYSA-N 359.838 3.537 0 40 FHAB COCc1cc(CN2CC[C@H]3[C@H]2CCCCC(=O)N3C)ccc1OC(C)C 19713152 LZZPXCDCJXSOMS-VQTJNVASSA-N 374.525 3.596 0 40 FHAB O=C(Cc1cccc(F)c1)N1CC[C@H](c2ccccc2)[C@H]2NCCCC[C@H]21 19373888 NKBSMIXLZHGOQX-MQSCRBSSSA-N 366.480 3.895 0 40 FHAB COc1ccc(C(=O)COC(=O)Cc2cccc3ccccc23)cc1F 5177062 ANWHEDMWGLHFEA-UHFFFAOYSA-N 352.361 3.956 0 40 FHAB CCC1CCC2(CC1)NC(=O)N(Cc1coc(-c3cccs3)n1)C2=O 12984144 OZIQTDMOJYLEJY-UHFFFAOYSA-N 359.451 3.794 0 40 FHAB CC(C)(C)CC(=O)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888854098 RKWVUNPSAUAFLD-UHFFFAOYSA-N 370.497 3.660 0 40 FHAB c1ccc(-c2nc(CN3CC[C@@H]4CN(c5ccccn5)C[C@H]43)cs2)cc1 1889205956 IFSFBMZUMINXBB-IEBWSBKVSA-N 362.502 3.916 0 40 FHAB Fc1ccc(Br)cc1CNC[C@H]1COc2ccccc2O1 20567259 ITFZNTRIAHGNGD-ZDUSSCGKSA-N 352.203 3.518 0 40 FHAB Cc1cc(C(=O)OCC(=O)c2c(C)[nH]c3ccccc23)c2c(C)noc2n1 22194105 TXGOHJZTNIHTSA-UHFFFAOYSA-N 363.373 3.669 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)/C=C/c3cccc4cccnc34)ccc21 25152340 HLFCTTFAHQHULQ-JXMROGBWSA-N 357.413 3.796 0 40 FHAB O=C(C1CCCCC1)N1CCC[C@@H](c2ccnc(Nc3nccs3)n2)C1 2037834814 STOLCSCGSIWJQS-OAHLLOKOSA-N 371.510 3.963 0 40 FHAB Cc1ccc(N2C[C@]3(CCN(C(=O)[C@]4(C)CC=CCC4)C3)CC2=O)cc1 1565543298 IQACOMSXPLULPK-FGZHOGPDSA-N 352.478 3.697 0 40 FHAB CC[C@]1(c2ccccc2)NC(=S)N(c2ccc(Br)cc2)N1 720270 TUXSFBKCKQFFKI-INIZCTEOSA-N 362.296 3.911 0 40 FHAB O=C(CSc1nnc(Cc2ccccc2)o1)N1CCCc2ccccc21 872558 KGSWBGSBDFFMTP-UHFFFAOYSA-N 365.458 3.732 0 40 FHAB COc1cccc(OCC(=O)NCc2cc(-c3ccc(Cl)cc3)on2)c1 12235670 PSYJKJXAUDLUOL-UHFFFAOYSA-N 372.808 3.699 0 40 FHAB O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCc1cccnc1 16850300 YMHXGKDHYCMQOK-UHFFFAOYSA-N 358.854 3.794 0 40 FHAB O=C(/C=C/c1cccs1)N1CCC[C@@]2(CCCN2Cc2cccnc2)C1 2055785335 UDVQYTVHEYPFSP-QQUYBBDPSA-N 367.518 3.814 0 40 FHAB O=C(Cn1cnc2ccccc21)N1CCS[C@H](c2cccs2)CC1 219462510 GHPMSALSWRMVQB-KRWDZBQOSA-N 357.504 3.805 0 40 FHAB O=C(N[C@H](c1ccsc1)c1cccs1)[C@@H]1COc2ccccc2O1 575414986 WFXWCWMPIMQWQX-DOTOQJQBSA-N 357.456 3.855 0 40 FHAB COC(=O)c1c(C)oc2ccc(OCC(=O)c3ccc(OC)cc3)cc12 645010 KEDVTFJZRUKPAT-UHFFFAOYSA-N 354.358 3.798 0 40 FHAB biogenic O=C(CNc1ccc(OC(F)F)c(Cl)c1)Nc1ccc2c(c1)OCO2 40159017 HRJGIHHPXQXMCK-UHFFFAOYSA-N 370.739 3.721 0 40 FHAB COc1c(C)cnc(CNC(=O)Cc2c(C)[nH]c3ccc(C)cc23)c1C 50448419 FIGAEMGXXAYTQJ-UHFFFAOYSA-N 351.450 3.664 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H]1c1nnc2ccccn12 31500738 XFQVEFZRRRKEKI-SFHVURJKSA-N 359.433 3.507 0 40 FHAB COc1cccc([C@H](CNC(=O)CSc2ccccc2C)N(C)C)c1 22683228 HDSWVMRYWPEKSU-SFHVURJKSA-N 358.507 3.515 0 40 FHAB O=C(c1cccc(Cn2cc(C(F)(F)F)ccc2=O)c1)N1CCCCC1 54899358 LWXWQWRFYGKQPL-UHFFFAOYSA-N 364.367 3.542 0 40 FHAB Cc1ccc(OCCn2c(CCNC(=O)C(C)C)nc3ccccc32)cc1 646681 CJVQRFZCPZIECX-UHFFFAOYSA-N 365.477 3.738 0 40 FHAB COc1ccc(CNC[C@](O)(c2ccccc2)c2ccc(F)cc2)cc1 20365950 VQCOJXZDTNIMJW-QFIPXVFZSA-N 351.421 3.860 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)CSc1ncnc2sc3c(c12)CCC3 780913 MGQZAZUEIIJSFN-WCQYABFASA-N 361.536 3.967 0 40 FHAB Cc1ccc(S(=O)(=O)Oc2ccccc2C(=O)Oc2ccccc2)cc1 2057733 JPAQPESOZCWJBS-UHFFFAOYSA-N 368.410 3.982 0 40 FHAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 3072855 BUVDEDVCOGXMSB-CYBMUJFWSA-N 373.250 3.749 0 40 FHAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 7398555 VETLULZUUVSHNS-RDJZCZTQSA-N 352.434 3.634 0 40 FHAB Cc1ccc(NCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c(Cl)c1 11549424 KLVSWLNHQLMHMS-UHFFFAOYSA-N 357.841 3.591 0 40 FHAB COc1ccc2oc(C(=O)OCC(=O)c3ccc4c(c3)OCO4)c(C)c2c1 7983547 NERLTTSPVSEGDH-UHFFFAOYSA-N 368.341 3.518 0 40 FHAB CC1CCN(C[C@H]2CCCN(C(=O)[C@@H](C)OCc3ccccc3)C2)CC1 60275014 WGTILHOOMYKTLU-TZIWHRDSSA-N 358.526 3.562 0 40 FHAB O=C(CCc1nc(-c2cccs2)no1)Nc1nc(C(F)(F)F)cs1 32832716 UYBOZOZVTHUQCE-UHFFFAOYSA-N 374.369 3.845 0 40 FHAB CCOc1ccc(-c2nnn(Cc3ccc(Br)cc3)n2)cc1 10337885 TUQVESXRYCBFCL-UHFFFAOYSA-N 359.227 3.550 0 40 FHAB CSc1ncc(Cl)c(C(=O)N(C)Cc2ccc([C@H]3C[C@@H]3C)o2)n1 32970341 OMRUTJFRRVEWER-ONGXEEELSA-N 351.859 3.841 0 40 FHAB CCN1C(=O)CCc2cc(NC(=O)c3ccc(Br)o3)ccc21 9827704 HABOIUYBOOTXDP-UHFFFAOYSA-N 363.211 3.594 0 40 FHAB COc1ccccc1NC(=S)N1CCN(c2cc(C)ccc2C)CC1 9876986 DEGIIYIZEHRREW-UHFFFAOYSA-N 355.507 3.831 0 40 FHAB O=C(NCCCCNC(=O)c1ccccc1Cl)c1ccccc1Cl 2766183 POTRLHFZGYUSGG-UHFFFAOYSA-N 365.260 3.933 0 40 FHAB CC(C)c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 20512005 XBCDSPSJYCXVJO-UHFFFAOYSA-N 352.478 3.533 0 40 FHAB CC(C)(C)c1ccc(C(=O)CSc2nnnn2-c2ccccc2)cc1 645163 SBBTWZRFHBTUDZ-UHFFFAOYSA-N 352.463 3.935 0 40 FHAB CC[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc(OC)cc1 21836403 RCSXRROBJDIKDA-JQTSXJCQSA-N 355.434 3.993 0 40 FHAB O=S(=O)(NC1CCC(C(F)(F)F)CC1)c1ccc(F)c(Cl)c1 22760157 JENKUBZDKUTIKU-UHFFFAOYSA-N 359.772 3.879 0 40 FHAB Cc1cc(F)ccc1NC(=O)CCc1c(C)[nH]n(-c2ccc(F)cc2)c1=O 16204914 XHDZHAPBFCPUDO-UHFFFAOYSA-N 371.387 3.632 0 40 FHAB COc1ccc([C@@H]2CCCCCN2S(=O)(=O)N2CCC(C)CC2)cc1 23018761 DOOBBILPRPALOQ-IBGZPJMESA-N 366.527 3.589 0 40 FHAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccccn4)cc3C2=O)c1 23078830 LNGSWFIFRVZWFU-UHFFFAOYSA-N 371.396 3.751 0 40 FHAB Cc1cc(SCC(=O)NCc2ccccn2)c(C)cc1Br 12514820 GIBDJSYGKZQOPU-UHFFFAOYSA-N 365.296 3.869 0 40 FHAB CCN1CCC[C@@H]1CN(Cc1cccnc1)Cc1cccc2nccnc12 22931798 ZSAQNCGEPAUDBR-HXUWFJFHSA-N 361.493 3.511 0 40 FHAB O=C(/N=c1/ccccn1Cc1ccccc1)c1cc(O)nc2ccccc12 104805142 FCXOLZYOLCFMKU-GFMRDNFCSA-N 355.397 3.531 0 40 FHAB O=c1c(Cl)c(N2Cc3ccccc3C2)cnn1-c1ccc(F)cc1F 106065846 QQZRPGJJQYZFJG-UHFFFAOYSA-N 359.763 3.684 0 40 FHAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)NC[C@H]3CCCO3)cc2)o1 24828810 BNMJKZQIXKVBJR-QGZVFWFLSA-N 363.417 3.621 0 40 FHAB O=C(CSc1nc(-c2ccccc2)c[nH]1)N1CCC(c2ccccc2)=N1 24928065 FJIKXYGAZBVPMX-UHFFFAOYSA-N 362.458 3.805 0 40 FHAB O=C(OC[C@H]1COc2ccccc2O1)c1ccc(C(=O)c2ccccc2)cc1 3180421 IIGZMCULJWFNCL-LJQANCHMSA-N 374.392 3.914 0 40 FHAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCCc1cccc(F)c1 21046159 WTOZOABDGDVJAS-UHFFFAOYSA-N 356.372 3.911 0 40 FHAB CN(Cc1cc(=O)n2ccsc2n1)Cc1ccc(Cl)cc1Cl 8064606 DGRNUQLYSYUHAA-UHFFFAOYSA-N 354.262 3.695 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)CN[C@H](C)c1ccccc1OC 58160679 LWPNHGGRDLHUHE-CYBMUJFWSA-N 362.857 3.955 0 40 FHAB Cc1ccc(NC(=O)Cn2c(S)nnc2-c2ccc(Cl)cc2)cc1 16597910 ICILLYKMEFDSSK-UHFFFAOYSA-N 358.854 3.834 0 40 FHAB Cc1ccc(C(=O)C2CCN(C(=O)c3cn4c(C)cccc4n3)CC2)cc1 58202421 BCIJKYGIQYFJOV-UHFFFAOYSA-N 361.445 3.686 0 40 FHAB Cc1cccc(NC(=O)COC(=O)/C=C/c2ccc(Br)o2)c1 3399473 AEDCOTWWIRXHSR-SOFGYWHQSA-N 364.195 3.546 0 40 FHAB Cc1ccc(Cn2nccc2NC(=O)c2cc(=O)c3ccccc3o2)cc1 28292650 PLQZTKWSQFGUFX-UHFFFAOYSA-N 359.385 3.599 0 40 FHAB CN(C(=O)c1cccc(NC(=O)NCC[C@H]2CCCO2)c1)c1ccccc1 48300978 JZTYFDCFCYURFD-LJQANCHMSA-N 367.449 3.654 0 40 FHAB COC(=O)Nc1ccc(CNC(=O)Nc2ccccc2OC(C)C)cc1 48345681 LJBUPHBVBRCBEQ-UHFFFAOYSA-N 357.410 3.974 0 40 FHAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CCOc2ccccc2)C1=O 12801130 XKZFJJJZVFXWRO-IBGZPJMESA-N 358.825 3.576 0 40 FHAB CCC(CC)[C@H](CNc1cnn(-c2ccccc2)c(=O)c1Cl)N(C)C 12811655 ITTXFHRLZBMZNT-KRWDZBQOSA-N 362.905 3.664 0 40 FHAB c1ccc(-c2nc(N3CCN(C[C@H]4CCCO4)CC3)nc3ccccc23)cc1 12803704 WZJYJKCGVZHAEQ-LJQANCHMSA-N 374.488 3.598 0 40 FHAB O=C(O)C[C@@H]1Sc2nc(-c3ccccc3)cn2N=C1c1cccs1 8134343 FBCXCIABHYIJQS-AWEZNQCLSA-N 355.444 3.813 0 40 FHAB C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)N1CCCCCC1 8177123 UPHKNDBCBWCXKH-LBPRGKRZSA-N 366.512 3.626 0 40 FHAB COc1ncccc1NC(=O)N1CCC(c2nc3ccccc3o2)CC1 48414097 CLGHNJSZCARFLN-UHFFFAOYSA-N 352.394 3.643 0 40 FHAB O=C(Nc1ccccc1F)c1nn(-c2ccccc2)c(=O)c2ccccc12 8289221 SSFIJFAZCLBGIQ-UHFFFAOYSA-N 359.360 3.777 0 40 FHAB Cc1cccn2cc(CN3C(=O)NC4(CCC(C(C)(C)C)CC4)C3=O)nc12 13063221 GEOAIYLLXAGYPH-UHFFFAOYSA-N 368.481 3.670 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)Nc1nc2ccccc2nc1Cl 3888438 MCIYTWUZSATDKT-UHFFFAOYSA-N 351.790 3.532 0 40 FHAB Fc1ccc(/C=C/c2nn3c(-c4ccc5c(c4)OCO5)nnc3s2)cc1 13689697 OEODSFBVZYYZJD-FPYGCLRLSA-N 366.377 3.891 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc2c(c1)OCCO2 5118886 ZCGUULKNMOPVMS-LLVKDONJSA-N 362.813 3.559 0 40 FHAB COc1cc(NC(=O)CCc2c[nH]c3ccccc23)cc(OC)c1OC 6213290 JPJWQFBRJXKZTD-UHFFFAOYSA-N 354.406 3.765 0 40 FHAB CCCCN(CC)C(=O)c1ccc2c(=O)n(CC(C)C)c(=S)[nH]c2c1 5267424 OCOFHEMVFGFYQZ-UHFFFAOYSA-N 361.511 3.977 0 40 FHAB O=C(Nc1ccccc1Cl)N[C@@H](Cc1ccccc1)[C@@H](O)C(F)F 65588776 VXAWKGXTMHXMHI-LSDHHAIUSA-N 354.784 3.699 0 40 FHAB CCN(C[C@@H]1CCCO1)C(=O)c1cc(-c2ccncc2)nc2ccccc12 65898920 VKCGEOWYAQXBOT-KRWDZBQOSA-N 361.445 3.938 0 40 FHAB COc1ccc([C@H](CNC(=O)Nc2ccc(C)cc2)N2CCCC2)cc1 6650243 CWEAGIGFWXKNQS-FQEVSTJZSA-N 353.466 3.962 0 40 FHAB O=c1[nH]nc(SCc2nc3ccccc3s2)n1CCc1ccccc1 4989215 VQTLLNZPJNFBOX-UHFFFAOYSA-N 368.487 3.716 0 40 FHAB O=C(c1ccc(F)cc1)c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 6999966 SOZHISBDXSIBPS-UHFFFAOYSA-N 374.364 3.964 0 40 FHAB COc1ccc([C@H]2CCCN2CC(=O)NCCC2=CCCCC2)c(OC)c1 15366920 XNJLVLXJKHPJJL-HXUWFJFHSA-N 372.509 3.847 0 40 FHAB CC[C@@H](C)NC(=O)[C@@H](C)N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 80027595 OOGJIGNGPCFJTA-HUUCEWRRSA-N 355.482 3.569 0 40 FHAB CCNC(=O)NC(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1 7161482 MTIQPDBVYRJORD-HNNXBMFYSA-N 350.390 3.644 0 40 FHAB COc1cccc([C@H](Nc2ncnc3ccsc23)c2nccn2C)c1 8706463 WJNUNUDWIHCUSP-HNNXBMFYSA-N 351.435 3.635 0 40 FHAB Cc1cc(C)cc(NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 9667708 YWRGMECOUOIKLQ-KRWDZBQOSA-N 374.506 3.713 0 40 FHAB CCOC(=O)Cc1cc(O)n2nc(-c3ccccc3)c(-c3ccccc3)c2n1 9065324 CDZMRJYGRUIQAT-UHFFFAOYSA-N 373.412 3.875 0 40 FHAB Cc1ccccc1-n1c(SC[C@@H]2CCCO2)nnc1-c1ccncc1 9117926 KRXHBUFYOJXAEJ-INIZCTEOSA-N 352.463 3.909 0 40 FHAB COc1cc(C(=O)N2CCC[C@@H](N3CCCC3)C2)ccc1OC1CCCC1 83923583 SSTSHNYFSIMUJW-GOSISDBHSA-N 372.509 3.717 0 40 FHAB FC(F)(F)Cn1cc2c(n1)[C@H](Nc1ccc(C(F)(F)F)nn1)CCC2 96002487 PBMFXJIXMJBHMN-SECBINFHSA-N 365.281 3.744 0 40 FHAB CC[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cccc(C)c2)n1C 9366201 JZIYRSJLAZVIQD-MRXNPFEDSA-N 358.511 3.674 0 40 FHAB CN(C[C@@H]1CCCC[C@@H]1O)C(=O)c1cn(-c2ccccc2)nc1C(C)(C)C 97233342 NOABGILNOSGZAO-LPHOPBHVSA-N 369.509 3.793 0 40 FHAB C[C@@H](NCc1nc(-c2cc(Br)cs2)no1)c1cccnc1 95462535 CMHQGDZHUMBYBM-SECBINFHSA-N 365.256 3.806 0 40 FHAB O=C(NCC1(c2ccc(F)cc2)CCCCC1)[C@H]1CCCN1C(=O)C1CC1 98106292 LXFQCJGGZZPYFC-LJQANCHMSA-N 372.484 3.545 0 40 FHAB C[C@@H](NC(=O)CSc1nncn1C1CC1)c1cccc2ccccc12 9983461 RKDRYCFSPBIUAS-CYBMUJFWSA-N 352.463 3.736 0 40 FHAB O=C(CSCc1ccccc1Br)N[C@@H]1C[C@H]2CC[C@H]1C2 408866492 GMMHHWMVULEVHX-SLEUVZQESA-N 354.313 3.987 0 40 FHAB O=C1CCc2cc(C(=O)N3C[C@H](c4ccccc4)[C@@H]4CCC[C@@H]43)ccc2N1 552959213 UTGVSTMQPVXEQF-ZVDOUQERSA-N 360.457 3.980 0 40 FHAB CC1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 408707910 MMOQCZKEEUXHRK-JVWICGRDSA-N 368.399 3.753 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H]1CS(=O)(=O)c1ccc(Cl)cc1 72411091 VTSDPEQAQFCJGZ-ZDUSSCGKSA-N 359.875 3.513 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCc3ccccc32)C1 30057521 ZJEUNFFEILVQDB-SJLPKXTDSA-N 358.482 3.827 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)cc1OC 39536397 DGOPLBSABQPDLL-UHFFFAOYSA-N 369.442 3.756 0 40 FHAB COc1ccc(NC(=S)Nc2ccc(F)c(N3CCCC3=O)c2)cc1 36847111 QUDITPVWQFEJPC-UHFFFAOYSA-N 359.426 3.770 0 40 FHAB COc1ccc(C(=O)N(Cc2ccc3cc[nH]c3c2)C2CC2)cc1OC 32074928 NHKKGAOPUNNQDF-UHFFFAOYSA-N 350.418 3.990 0 40 FHAB CN(C)CC(=O)N1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1 72358173 SOZGZTHCARPPQY-IBGZPJMESA-N 357.885 3.551 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)Cn1ccc2ccc(Cl)cc21 40287333 KPCGVORCXYSVIC-UHFFFAOYSA-N 371.824 3.900 0 40 FHAB CCc1ccccc1NC(=O)CCc1nc(-c2cccc(OC)c2)no1 225822874 YZDCAFHFHQZJPP-UHFFFAOYSA-N 351.406 3.879 0 40 FHAB CCc1ccc(OCC(=O)Nc2c(C)cc(N)cc2Br)cc1 227145158 WYAZARCCBONWNU-UHFFFAOYSA-N 363.255 3.920 0 40 FHAB COc1ccc2cc(C(=O)N[C@H](C)c3ccc(Cl)cc3)c(=O)oc2c1 226043600 NVEURMXFTRKGMO-LLVKDONJSA-N 357.793 3.946 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)/C=C/c1ccc(OC)c(OC)c1OC 225417750 NHALMOZHMNHQGY-CMPYXILNSA-N 371.433 3.612 0 40 FHAB O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2n1-c1ccccc1 223810994 HTESAWFFMWHOON-UHFFFAOYSA-N 353.381 3.822 0 40 FHAB CN(C)c1c(Cl)cccc1NC(=O)c1cccc(CN2CCCC2=O)c1 49749502 OUAYEMMNFFUPHD-UHFFFAOYSA-N 371.868 3.781 0 40 FHAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C 224982429 MMTIISZDJICDPO-FQEVSTJZSA-N 370.468 3.700 0 40 FHAB CCCCC[C@](C)(O)/C=C\[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)O 195785521 CTXLUMAOXBULOZ-UOWKIURVSA-N 366.498 3.641 0 40 FHAB Cc1ccc2oc(CCCC(=O)NCCOc3ccccc3C)nc2c1 224949677 IWWFLYWZVKOCFV-UHFFFAOYSA-N 352.434 3.963 0 40 FHAB CCCOCc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1OCC 224707485 PZZWVZFIYBQJRH-UHFFFAOYSA-N 357.406 3.993 0 40 FHAB CN(Cc1ccccc1)c1ccccc1NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 578597877 KJPRZTHFSFKGSH-RBUKOAKNSA-N 360.461 3.799 0 40 FHAB O=C(NC[C@@H](c1ccoc1)N1CCSCC1)c1ccc(F)cc1Cl 253408963 ZDLBKUHXPGBTKR-INIZCTEOSA-N 368.861 3.592 0 40 FHAB O=C(NCCC1=CCCCC1)C1CN(c2cc(-c3ccccc3)ncn2)C1 253472781 PJDDZXDLUDJRPU-UHFFFAOYSA-N 362.477 3.587 0 40 FHAB O=C(COc1ccc(Cl)cc1Cl)N1CC[C@@H](c2ccccn2)C1 85472940 QWOLPGWKSPBJRZ-GFCCVEGCSA-N 351.233 3.783 0 40 FHAB Cc1nnsc1C(=O)NCc1cc(-c2cccs2)n(C2CCCC2)n1 90607061 KZYFOJGJYUTFIC-UHFFFAOYSA-N 373.507 3.817 0 40 FHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(C)[C@H]1CCO[C@@H]1c1cccnc1 671952126 HVSSUFOBORZDQO-BCLZFNBHSA-N 374.525 3.847 0 40 FHAB Cn1ncc2c1C[C@@H](C(=O)Nc1ncccc1OCC1CCCCC1)CC2 684901804 GLXWUBFMMJDPIL-INIZCTEOSA-N 368.481 3.518 0 40 FHAB C[C@@H](Sc1cccc[n+]1[O-])C(=O)Nc1nc(-c2ccccc2)cs1 5780044 LVHJAESMHQVIQM-GFCCVEGCSA-N 357.460 3.563 0 40 FHAB Cc1ccc(CN(C)CC(=O)Nc2cc(C)nn2-c2ccccc2C)cc1 13002050 NWIHVAMRFKJKLJ-UHFFFAOYSA-N 362.477 3.868 0 40 FHAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)on1 13225947 MCRSPSTVPKZECK-ZIAGYGMSSA-N 358.467 3.564 0 40 FHAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1C 13670592 LIUZCCQZBKHJQB-UHFFFAOYSA-N 353.827 3.626 0 40 FHAB CCCCN1C(=O)/C(=C\c2csc(-c3ccc(F)cc3)n2)NC1=S 14162758 CAAOVQVTWCOFHL-NTEUORMPSA-N 361.467 3.807 0 40 FHAB COc1ccc(OCCNC(=O)/C=C/c2ccc(OC(F)F)cc2)cc1 15615490 YOLVKJSDFLRLSB-NYYWCZLTSA-N 363.360 3.505 0 40 FHAB CCOc1ccccc1CN1CCC[C@@H](c2nn(C)c3ncccc23)C1 19520173 HQWVIHUPBZGVGY-QGZVFWFLSA-N 350.466 3.747 0 40 FHAB COc1ccc(C(=O)N2CC[C@H](c3cc4ccccc4cn3)C2)cc1OC 19559812 MUOYXLGGONHGCI-SFHVURJKSA-N 362.429 3.882 0 40 FHAB COc1cccc(CNC(=O)c2c(C(F)(F)F)ccnc2Cl)c1OC 2577960 FPFDJSOIYLKALC-UHFFFAOYSA-N 374.746 3.701 0 40 FHAB COc1cccc(C(=O)N(CCN(C)C)c2nc3ccccc3s2)c1 4585267 KFLNEEDNOHQIHB-UHFFFAOYSA-N 355.463 3.513 0 40 FHAB Cc1nc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)NC1CC1 8772025 MVORTCSUJNEEBU-UHFFFAOYSA-N 350.831 3.641 0 40 FHAB O=C(Nc1nc(CC(=O)N2CCCc3ccccc32)cs1)c1ccco1 11027593 LDTVCNKMBZWKDL-UHFFFAOYSA-N 367.430 3.510 0 40 FHAB Cc1nc2sc(C)c(C)n2c(=O)c1NC(=O)CSCc1ccccc1 11768866 BNJZHHVULJWJFP-UHFFFAOYSA-N 373.503 3.553 0 40 FHAB Cc1ccccc1CN1CCC(Nc2cccc(F)c2)(C(=O)N(C)C)CC1 2055730227 NZDCLLBGVOOTEI-UHFFFAOYSA-N 369.484 3.669 0 40 FHAB CC(C)C(=O)N1CCCc2ccc(NC(=O)NCc3ccccc3)cc21 22502701 HAAMDRRTJOEEQY-UHFFFAOYSA-N 351.450 3.944 0 40 FHAB O=C(NCc1ccc(Cl)cc1)NCc1ccnc(-c2cccnc2)c1 225640985 UAJIKMLYNRNDKY-UHFFFAOYSA-N 352.825 3.796 0 40 FHAB CC(=O)Nc1ccc(C(=O)NCc2ccnc(-c3ccsc3)c2)cc1 225755616 RCWDKTGRWFPPBE-UHFFFAOYSA-N 351.431 3.699 0 40 FHAB O=C(/C=C/c1ccccc1Cl)NCC1CCN(c2ccccn2)CC1 43975905 IFVYSOSOGWDKED-CMDGGOBGSA-N 355.869 3.781 0 40 FHAB CCOc1ccc(Nc2ncccc2C(=O)N(C)Cc2cc(C)on2)cc1 25138370 YOIJIIPXYZGDTO-UHFFFAOYSA-N 366.421 3.793 0 40 FHAB Cc1cc(C(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)c(C)n1C1CC1 40086066 GFAWPBBZVOHOGD-NRFANRHFSA-N 356.441 3.835 0 40 FHAB O=C(Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)c1cnccn1 40072354 FXSRMJQXOZPUCP-UHFFFAOYSA-N 363.442 3.900 0 40 FHAB COc1ccc([C@@H](C)NC(=O)c2ccc3c(O)[nH]c(=S)nc3c2)cc1F 40108637 CEADTNLZMGZATL-SECBINFHSA-N 373.409 3.637 0 40 FHAB Cc1cccc(-n2ncc3c2ncn2nc(CCc4ccccc4)nc32)c1 2414272 VXHQQAXXJZTHKG-UHFFFAOYSA-N 354.417 3.557 0 40 FHAB Cc1nnnn1-c1cccc(NC(=O)N[C@@H](C)c2cccc(Cl)c2)c1 45689579 HDWDMUQWSXSYSU-NSHDSACASA-N 356.817 3.507 0 40 FHAB O=C(CSc1nnc(NC2CCCCC2)s1)NC1CCCCC1 2635744 ZBVMGTAJFBVVQZ-UHFFFAOYSA-N 354.545 3.824 0 40 FHAB CCn1cc(CNC(=O)c2ccccc2COc2ccc(F)cc2F)cn1 2787719 QGZHOWMRKHHOOH-UHFFFAOYSA-N 371.387 3.690 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(NCc2ccco2)s1 7161779 IKPGZSYRDJFKDX-WCQYABFASA-N 366.512 3.530 0 40 FHAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NCc1cccs1 7014635 WFRHQLLVXYGWLX-UHFFFAOYSA-N 365.867 3.860 0 40 FHAB COc1ccc(OC)c(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 7056457 BARSWLILHBZCSZ-UHFFFAOYSA-N 362.234 3.811 0 40 FHAB Cc1ccc(CCCNS(=O)(=O)c2ccc(Br)cc2)cc1 10110524 VDEQCWXJDPQMFW-UHFFFAOYSA-N 368.296 3.669 0 40 FHAB Cc1cc(N(C)C)ccc1NC(=O)N(C)CC(=O)Nc1c(C)cccc1C 46015585 NJWODRFJRDPROS-UHFFFAOYSA-N 368.481 3.780 0 40 FHAB C[C@@H](O)CNCc1cc(Br)ccc1OCc1ccc(F)cc1 8535063 DPKYPGUAURNUCP-GFCCVEGCSA-N 368.246 3.638 0 40 FHAB CCOc1cccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCO4)s2)c1 17112349 AZSIGMZMNZLOBN-UHFFFAOYSA-N 369.402 3.585 0 40 FHAB CCc1c(C(=O)Nc2n[nH]c(-c3ccc(C)cc3)n2)cnn1-c1ccccc1 32786881 OQVBGHMQBRAFSK-UHFFFAOYSA-N 372.432 3.781 0 40 FHAB Cc1ccc(C(=O)Oc2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc1 102616729 NBYQZCAQUFCGBY-XAMWDVODSA-N 373.408 3.526 0 40 FHAB C[C@H]1CCCCN1C(=O)c1nnc2sc(-c3cccc(Cl)c3)nn12 57354631 LWYPOECNECYVRG-JTQLQIEISA-N 361.858 3.521 0 40 FHAB COc1ccccc1CCNCc1cc(Br)c2c(c1)OCO2 22787437 GQMFKXBLOAYRAM-UHFFFAOYSA-N 364.239 3.519 0 40 FHAB COc1ccc(CC(=O)Nc2ccc(OC)c(OC(F)F)c2)cc1F 22762742 TVVUFWBZQCAJQA-UHFFFAOYSA-N 355.312 3.626 0 40 FHAB Cc1cc(C)cc(OCCC(=O)NCc2cnn(Cc3ccccc3)c2)c1 46701058 GVJHHDKWWAAIJM-UHFFFAOYSA-N 363.461 3.634 0 40 FHAB CC(=O)c1ccc(SCC(=O)Nc2ccc3oc(=O)ccc3c2)c(F)c1 54253278 UMACEWSTSUKRAG-UHFFFAOYSA-N 371.389 3.866 0 40 FHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1 955469 IWXJCHODPNLIPU-DHZHZOJOSA-N 359.809 3.852 0 40 FHAB C[C@H]1CCCN(Cc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)C1 46934459 QQJIKJLBKAZJTN-HNNXBMFYSA-N 352.434 3.900 0 40 FHAB Cc1ccc(C)c(-n2cnnc2SCc2nc(N)c3ccccc3n2)c1 12534205 DUMBZYVETCKYEV-UHFFFAOYSA-N 362.462 3.702 0 40 FHAB COC(=O)c1c(C)nsc1NC(=O)N1CCC[C@@H]1c1cccc(F)c1 56344706 CUKDKCLFLNYFSY-CYBMUJFWSA-N 363.414 3.746 0 40 FHAB O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCN(C2CCCCC2)CC1 57413225 CKIIFGPKKGSWPA-UHFFFAOYSA-N 372.900 3.821 0 40 FHAB CCN(Cc1cccc(F)c1)c1cc(C)nc2nc(C(F)(F)F)nn12 26700897 CIOXBVDBOKDWSM-UHFFFAOYSA-N 353.323 3.617 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)CCc1cc(C(C)=O)c(C)o1 27397750 KKJBEIPJUJXUQQ-UHFFFAOYSA-N 356.422 3.502 0 40 FHAB CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(F)cc2)c1C 58192288 HNQOWGXZZJRDHK-UHFFFAOYSA-N 350.415 3.538 0 40 FHAB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)CSc1ccccc1 58153038 WKJJXDFACADRPN-HNNXBMFYSA-N 364.511 3.685 0 40 FHAB COc1cccc([C@H]2CCCN2CC(=O)N[C@@H](C)c2ccc(F)cc2)c1 10227376 JWDGLKJAHHKIRI-MGPUTAFESA-N 356.441 3.849 0 40 FHAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cc(C(N)=O)ccc2Cl)cc1 12788129 PULGGTOKEMKGLR-LLVKDONJSA-N 366.870 3.753 0 40 FHAB Cc1cc(-c2cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c3c(C)noc3n2)c(C)o1 12772907 UCNVHBCHKSHCIJ-VXGBXAGGSA-N 369.421 3.657 0 40 FHAB CSc1nc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C)c2ccccn12 48325486 YKNUPHSNRMOZIX-CYBMUJFWSA-N 369.446 3.549 0 40 FHAB O=C(CSc1nnc2sc3ccccc3n12)NCC1CCCCC1 3495767 KSBPWFPKBSVSJZ-UHFFFAOYSA-N 360.508 3.733 0 40 FHAB Cc1nn(C)c(C)c1NC(=O)CN(Cc1cccs1)Cc1cccs1 7688674 ZZOSFOSCJODZEX-UHFFFAOYSA-N 374.535 3.801 0 40 FHAB COc1ccc(CN(C)C(=O)c2cc(Cl)c3c(c2)OCCO3)cc1F 7779244 WBJWSEJDGVJZFK-UHFFFAOYSA-N 365.788 3.531 0 40 FHAB COC(=O)c1sc2nc(C)nc(NCc3ccccc3OC)c2c1C 7718008 XSWTUIHCXZLZQP-UHFFFAOYSA-N 357.435 3.715 0 40 FHAB Cc1ccc2c(CC(=O)NC[C@@H]3COc4ccccc4O3)coc2c1C 7756814 LSWAUOLMMAJYBP-MRXNPFEDSA-N 351.402 3.548 0 40 FHAB CCCCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC 4065391 MRNYEDYWJSHJJN-QGZVFWFLSA-N 362.495 3.612 0 40 FHAB COc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)c(OC)c1 8071809 UALXXPOYOOSIDK-UHFFFAOYSA-N 371.418 3.524 0 40 FHAB O=C1N=C2C=CC(Br)=CN2[C@](c2ccccc2)(C(F)(F)F)N1 28294330 BEFOKXPMIBTDCA-CYBMUJFWSA-N 372.144 3.632 0 40 FHAB Cc1cc(OCc2nnc(SC(=O)C3CC3)n2C)cc(C)c1Cl 6399909 PMZUIJTXYULWPE-UHFFFAOYSA-N 351.859 3.693 0 40 FHAB COc1cccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)c1 14094031 MKTBHBGAKJUZEV-UHFFFAOYSA-N 356.422 3.972 0 40 FHAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)c1ccc3ccccc3c1)C2=O 14093589 OSQQADQWNLTFBZ-QKKBWIMNSA-N 350.418 3.523 0 40 FHAB C[C@H](C(=O)Nc1ccccc1Cl)N(C)Cc1cnn(-c2ccccc2)c1 14018066 SBXWPLQJWPQICD-OAHLLOKOSA-N 368.868 3.985 0 40 FHAB CN(Cc1cccc(Cl)c1)C(=O)/C=C/c1cn(Cc2ccccc2)nn1 14198770 SRRJKOHWFZLZPN-ZHACJKMWSA-N 366.852 3.652 0 40 FHAB COc1ccc(C(=O)CSc2nc3ncc(Cl)cc3[nH]2)cc1OC 5459808 SLLMSNGHWPSVEV-UHFFFAOYSA-N 363.826 3.604 0 40 FHAB CCOC(=O)[C@@H]1C(=O)OC(C)(C)[C@H]1[C@@H](CC)C(=O)c1c(C)cc(C)cc1C 4623015 AUGICTWZDMWTJI-NXHRZFHOSA-N 374.477 3.952 0 40 FHAB CCCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 409410025 KOYNAZFIVZFKIH-UHFFFAOYSA-N 360.479 3.634 0 40 FHAB CN1C[C@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CC1=O 6662474 JYRLWJABJUULNR-GFCCVEGCSA-N 357.816 3.823 0 40 FHAB COc1cccc(NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)c1 14898321 ZNZDDGPQGPRJJY-UHFFFAOYSA-N 362.389 3.798 0 40 FHAB O=C(NCc1cccc(Cl)c1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 408709109 XTRURNNFFGWIPO-ZDUSSCGKSA-N 363.244 3.663 0 40 FHAB Cc1ccsc1C(=O)OCC(=O)NCc1cccc(C(F)(F)F)c1 67197947 UCTOZRCVHQQCNR-UHFFFAOYSA-N 357.353 3.549 0 40 FHAB COC(=O)N(C)c1ccc(NC(=O)c2cc(F)cc(Cl)c2O)cc1 83869364 KUZWVXMFSRSQSC-UHFFFAOYSA-N 352.749 3.640 0 40 FHAB Cc1ccc(Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)cc1C 67257983 QAHQPKQVEZUVTM-UHFFFAOYSA-N 362.454 3.879 0 40 FHAB COc1cc(C(=O)N(C)Cc2ccc(Cl)s2)cc(OC)c1OC 18890235 CTGCTOBXVSXZDU-UHFFFAOYSA-N 355.843 3.700 0 40 FHAB CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccco3)cc21 84140070 CLAQZDVYPPYEJD-LSDHHAIUSA-N 368.433 3.793 0 40 FHAB CCOc1ccccc1-c1nnc(SCc2ccc(C(N)=O)cc2)o1 9364801 MIYLAOWYVREQLN-UHFFFAOYSA-N 355.419 3.527 0 40 FHAB CCN(CC(=O)NC(C)(C)C)c1nc2c(Cl)c(C)nn2c2ccccc12 9377404 NOXKHNOSQIFQCN-UHFFFAOYSA-N 373.888 3.585 0 40 FHAB COc1cccc(C(=O)CSc2nnc(-c3ccccc3F)n2C)c1 9582593 FUKBYUPADOOAMD-UHFFFAOYSA-N 357.410 3.605 0 40 FHAB COc1ccc(NC(=O)CN(C)c2ncc(C(F)(F)F)cc2Cl)cc1 23015312 VYTKNSCGZNTWEP-UHFFFAOYSA-N 373.762 3.837 0 40 FHAB C[C@@H](C(=O)NC(C)(C)C)[S@@](=O)Cc1csc(-c2ccc(F)cc2)n1 71801123 HFAUKMWKBLTKLP-APXPCNQMSA-N 368.499 3.501 0 40 FHAB Cc1ccsc1CNC[C@H](c1ccccc1Cl)N1CCOCC1 97221813 KLIUNQGGQPQXOI-QGZVFWFLSA-N 350.915 3.873 0 40 FHAB Cc1c(-c2nn3c(C(C)C)nnc3s2)cnn1-c1ccc(F)cc1F 72402824 CYDTWGBRHUXSFN-UHFFFAOYSA-N 360.393 3.749 0 40 FHAB Cc1nc(-c2ccccc2)sc1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 75906116 LQZUPSYQQFFXCX-OXQOHEQNSA-N 356.491 3.886 0 40 FHAB CC1(C)Cc2cccc(OCC(=O)Nc3cnn(-c4ccccc4)c3)c2O1 84673808 QGTRDJYJFWMEBX-UHFFFAOYSA-N 363.417 3.603 0 40 FHAB CC(C)[C@@H](Sc1nc(-c2ccccc2)cn1N)C(=O)N1CCCC[C@@H]1C 84692150 PSRZWTGQPIFNEP-MAUKXSAKSA-N 372.538 3.782 0 40 FHAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCC1CCN(C)CC1 78578820 FCGPJSJPXFZKNY-HXUWFJFHSA-N 354.494 3.845 0 40 FHAB CCc1n[nH]c(=S)n1CCNC(=O)C1(c2cccs2)CCCCC1 73997465 XTORJCPNCRVIRZ-UHFFFAOYSA-N 364.540 3.583 0 40 FHAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 21236541 ZYTVINHIFOBHQD-INIZCTEOSA-N 356.491 3.951 0 40 FHAB Cc1cccc(C(=O)N2CC[C@]3(CCn4c(-c5cccs5)cnc43)C2)n1 306131503 KGUSTROQFBNOCV-FQEVSTJZSA-N 364.474 3.503 0 40 FHAB Cc1c(Cl)cccc1N1C[C@H](C(=O)NC[C@H](C)c2ccccc2)CC1=O 408709296 ZCXIMBLSOOOKHH-WMLDXEAASA-N 370.880 3.921 0 40 FHAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1cccc(Br)c1 408706844 FYIIJVDKXYYXTC-GFCCVEGCSA-N 355.276 3.720 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)COc1ccccc1C 219358017 AXALPCUXHXZOFU-APWZRJJASA-N 357.450 3.745 0 40 FHAB COc1cc(CNCCc2c(C)[nH]c3ccc(F)cc23)cc(OC)c1OC 36657734 PCNLIXHIKNPPRY-UHFFFAOYSA-N 372.440 3.974 0 40 FHAB CC[C@@H]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 1556809173 FSJBOOFECRUQQU-KURKYZTESA-N 363.546 3.683 0 40 FHAB Cc1cccc(C)c1NC(=O)N1CCC(NC(=O)c2ccccc2)CC1 35288962 SHJRATCLNCAIDW-UHFFFAOYSA-N 351.450 3.730 0 40 FHAB CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](C(=O)O)c2ccc3ccccc3c2)C1 215747142 KLOYZXFPIGMFNV-ZWKOTPCHSA-N 370.449 3.565 0 40 FHAB O=C(NCCNC(=O)c1ccccc1)Nc1ccc(Cl)cc1Cl 43175155 GQARWCGUYIBWJS-UHFFFAOYSA-N 352.221 3.545 0 40 FHAB C[C@@H](NC(=S)Nc1nc(Cl)cc(N2CCCC2)n1)c1ccccc1 225963824 BYSXQCGFUCGHCG-GFCCVEGCSA-N 361.902 3.778 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl 224666272 RTIVKRZDKSJNLZ-MRXNPFEDSA-N 372.896 3.826 0 40 FHAB Cc1cc(Oc2ccccc2)nc(NC(=S)NCc2ccc(C)o2)n1 225916229 GDQFLJKTNROWKG-UHFFFAOYSA-N 354.435 3.965 0 40 FHAB O=C([C@@H]1Cc2ccccc2CN1Cc1ccc(O)cc1)N1CCCCCC1 199415480 KBYPROJTBKNSNK-QFIPXVFZSA-N 364.489 3.722 0 40 FHAB C[C@H](Oc1cccc2ccccc12)C(=O)NC[C@@H]1COc2ccccc2O1 225261764 FDVROUHYXXWSMQ-DOTOQJQBSA-N 363.413 3.563 0 40 FHAB O=C1CCCN1c1ccc(NC(=S)NCCCc2ccc(F)cc2)cc1 225548121 QBSAFWVPDZOVQH-UHFFFAOYSA-N 371.481 3.872 0 40 FHAB COc1ccc(CN(C)C(=O)NCCCN(C)c2ccccc2)cc1F 40068978 CUYOJCPUUHRDHB-UHFFFAOYSA-N 359.445 3.502 0 40 FHAB COc1ccc(C(=O)Nc2c(C)cc(N)cc2Br)c(OC)c1 227144830 QCWFIPFKYNFYEW-UHFFFAOYSA-N 365.227 3.609 0 40 FHAB CCOc1cccc(CN(C)S(=O)(=O)c2ccc(SC)cc2)c1 223734693 RYZSWUJXHUZEMF-UHFFFAOYSA-N 351.493 3.628 0 40 FHAB Cn1c(Cl)nc2cc(C(=O)NCCc3c[nH]c4ccccc34)ccc21 222547233 ZVDHYVFAOLDTPI-UHFFFAOYSA-N 352.825 3.681 0 40 FHAB COc1ccc(CCc2nc3nccc(-c4ccccc4)n3n2)cc1OC 95477876 XTWLQZYNFLNFRZ-UHFFFAOYSA-N 360.417 3.594 0 40 FHAB COCCn1c(C(=O)N2CCCCO2)cc2c1c1ccccc1n2C(C)C 96037328 RWLXCDQMYHTDTI-UHFFFAOYSA-N 369.465 3.991 0 40 FHAB CC(C)c1cccc(NC(=O)COc2cccc(N3CCCC3=O)c2)c1 96402246 TXYCYRDPGAEZLB-UHFFFAOYSA-N 352.434 3.954 0 40 FHAB O=C1C[C@H](c2cc(Cl)c3c(c2)OCO3)c2c(ccc3nsnc23)O1 96232095 NHXWTFXZLQMILQ-MRVPVSSYSA-N 360.778 3.514 0 40 FHAB CCc1oc2ccccc2c1CC(=O)N1CCOC[C@H]1c1nc(C)cs1 529082312 QWGDUWXHQUBPJK-INIZCTEOSA-N 370.474 3.903 0 40 FHAB Cc1ccc(C)c(NC(=O)C2CCN(C(=O)Cc3ccccc3)CC2)c1 244368139 XXHIOUZOQUFCCQ-UHFFFAOYSA-N 350.462 3.723 0 40 FHAB O=C(Nc1ccccc1-c1cccs1)N1CCC[C@@H](n2ccnn2)C1 584169094 RNAPVHLZQKREAC-CQSZACIVSA-N 353.451 3.876 0 40 FHAB Cc1ccc2c(c1)OC1(CCN(Cc3cc[nH]n3)CC1)[C@H]1CCCO[C@H]21 257269034 MOHTZPLUHOPYHO-AZUAARDMSA-N 353.466 3.613 0 40 FHAB C[C@](CNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)(C(=O)O)c1ccccc1 263268645 HTMUIXOAKYIPNE-RVSPLBMKSA-N 357.372 3.514 0 40 FHAB CCn1c(SCC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)nnc1-c1cccc(C)c1 260492760 UICWCDQOPRENCF-ZOBUZTSGSA-N 370.522 3.670 0 40 FHAB O=C(NCC[C@@H](O)c1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1 90612515 MENLQZUVNQTGMB-CQSZACIVSA-N 368.216 3.576 0 40 FHAB CSc1cccc(C(=O)N2CCC[C@H]2Cn2c(C)nc3ccccc32)n1 648840448 PSIAAZQIBGOTMQ-HNNXBMFYSA-N 366.490 3.766 0 40 FHAB CCOc1ccc(-c2nn3c(CSC)nnc3s2)cc1OCC 1772491386 LBSJEIJMAPAIND-UHFFFAOYSA-N 350.469 3.513 0 40 FHAB CC[C@@H](CC(=O)N1CC[C@H](N(C)C(=O)c2ccoc2)C1)c1ccc(C)cc1 1775996827 JTRHKYNGMXVIHW-PXNSSMCTSA-N 368.477 3.845 0 40 FHAB COC(=O)c1ccc(C(=O)NCc2cc(C3CC3)n(C3CCCC3)n2)cc1 96104074 FBVCHJSSFKCBAR-UHFFFAOYSA-N 367.449 3.592 0 40 FHAB Cc1c([C@H](C)NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)oc2ccccc12 58250704 YFTZABRDQGXHEZ-GOEBONIOSA-N 354.450 3.567 0 40 FHAB O=C(C(=O)N1CCc2sccc2[C@@H]1c1cccs1)c1ccc(O)cc1 1624635068 LJFRQPZUDPJMNW-QGZVFWFLSA-N 369.467 3.872 0 40 FHAB CCOC(=O)N(C(=O)OCC)c1c(Cl)nsc1Br 1505839841 DBFRDXOVABOFQM-UHFFFAOYSA-N 357.613 3.678 0 40 FHAB O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2 13695858 GFVWRJVOSPIXOC-UHFFFAOYSA-N 370.836 3.657 0 40 FHAB Cc1ccc(OCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)c(C)c1 14001604 AYMFLMDTFSWPHI-UHFFFAOYSA-N 354.450 3.849 0 40 FHAB O=C(c1ccccc1F)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 19347521 FUHMRAUUBJCEEJ-GFCCVEGCSA-N 357.410 3.957 0 40 FHAB COc1ccccc1-c1noc(C)c1C(=O)NC[C@@H](C)N1CCC(C)CC1 19579677 RKFFDNADZYYNKM-OAHLLOKOSA-N 371.481 3.509 0 40 FHAB Cc1c(-c2cncn2CCCN2CCCCC2)cnn1Cc1ccccc1 19654438 FZMYXHGQEJTMAH-UHFFFAOYSA-N 363.509 3.979 0 40 FHAB O=C(Cc1cc(Cl)cc2c1OCC2)NCCc1c[nH]c2cc(F)ccc12 542620455 SWRZTXVPRYIRGF-UHFFFAOYSA-N 372.827 3.797 0 40 FHAB CNc1ncccc1CN1CC[C@H](c2ccccc2)[C@H]2NCCCC[C@H]21 19592055 CHPVJAZOBIKPSJ-NJDAHSKKSA-N 350.510 3.624 0 40 FHAB FC(F)(F)c1ccc(CN2CCC(COc3ncccn3)CC2)cc1 1888863690 TYGXPNLWLXALFD-UHFFFAOYSA-N 351.372 3.786 0 40 FHAB Cc1cccc(CN2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)c1 1888962473 FGCIMAVWDZGIPM-UHFFFAOYSA-N 365.452 3.756 0 40 FHAB Cc1cc2nc(C3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)ccn2n1 1848353951 FSYFFDDILSVYGG-UHFFFAOYSA-N 359.433 3.539 0 40 FHAB CCCO[C@@H]1CCCN(C(=O)c2cc(Cl)c(Cl)cc2C(=O)O)C1 4476136 JLZMZCOVVOTICF-SNVBAGLBSA-N 360.237 3.723 0 40 FHAB COc1cc2cc([C@H]3CC(c4ccco4)=NN3)c(Cl)nc2cc1OC 9517145 SMJBXMUZCNIPAS-CYBMUJFWSA-N 357.797 3.937 0 40 FHAB CC(C)c1cc(C(=O)NC[C@H]2CCCO2)nn1-c1nc2ccccc2s1 12223591 FDHKGLIGLNLBQB-CYBMUJFWSA-N 370.478 3.514 0 40 FHAB Cc1c(-c2noc(-c3ccc4cc[nH]c4c3)n2)nnn1Cc1cccc(F)c1 49410254 SMNPKKPJRPABOV-UHFFFAOYSA-N 374.379 3.972 0 40 FHAB Cc1cnc(OC2CCN(Cc3cccc(Br)c3)CC2)nc1 653799828 BEXPMCRAGGCPLJ-UHFFFAOYSA-N 362.271 3.591 0 40 FHAB C[C@@H]1CCCN(CCCNC(=O)/C=C/c2ccc(Br)cc2)C1 40108079 RITDZBXDLUODDU-JOZWUWCOSA-N 365.315 3.701 0 40 FHAB CC(=O)N[C@@H]1C(=O)N(Cc2ccccc2OC(C)C)c2c(Cl)cccc21 100485793 MGVFIONERKXWHS-SFHVURJKSA-N 372.852 3.851 0 40 FHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccc(Cl)cc1F 11159917 KGFQGTHNPVXZSK-LLVKDONJSA-N 361.804 3.655 0 40 FHAB CC[C@@H](C)[C@H](NC(=O)NCC(c1ccccc1)c1ccccc1)C(=O)O 2422525 DPGOGZVMWBVXAL-BEFAXECRSA-N 354.450 3.617 0 40 FHAB Cc1nc(NC(=O)C2CCCCC2)sc1C(=O)NCc1ccccc1 1379074 RGJRCXZESVXGCE-UHFFFAOYSA-N 357.479 3.900 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 4832565 JLZMMWIPWOVZKD-AWEZNQCLSA-N 356.809 3.534 0 40 FHAB CCCn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nnc1-c1cccnc1 4860995 XQLBDRUWIHQRJK-HUUCEWRRSA-N 373.526 3.632 0 40 FHAB CCCCS(CCCC)=NS(=O)(=O)c1ccc(NC(C)=O)cc1 4976442 OZQPPVAPTKABPD-UHFFFAOYSA-N 358.529 3.736 0 40 FHAB CCCCn1c(S[C@H](C)C(=O)NC2CCCC2)nc2ccccc2c1=O 6034814 ZJTCWDVZHHBPGI-CQSZACIVSA-N 373.522 3.736 0 40 FHAB Cn1cnnc1C1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 32164996 NFFDJLKXNBNTPT-UHFFFAOYSA-N 372.900 3.687 0 40 FHAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1cccc(CSC)c1 29233737 YPJAQHWSGLYKSG-UHFFFAOYSA-N 372.490 3.659 0 40 FHAB CC(=O)Nc1cccc([C@H](C)NS(=O)(=O)c2cccc(Cl)c2C)c1 32417346 FSDJLDIKPKLFAD-LBPRGKRZSA-N 366.870 3.646 0 40 FHAB CC(C)Oc1ccc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc1 2647669 BGNHLVSTZUQVCK-HNNXBMFYSA-N 353.418 3.608 0 40 FHAB COc1cc(CN(C(=O)c2ccco2)c2ccccn2)cc(OC)c1OC 11916533 MVTPMFICVLZGHB-UHFFFAOYSA-N 368.389 3.547 0 40 FHAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccco4)[C@H]3C2=O)c1 100766550 UUGGYUOCROHAJQ-AABGKKOBSA-N 374.396 3.639 0 40 FHAB O=C(Cc1coc(-c2ccccc2)n1)NCc1ccccc1OC(F)F 22604400 YKLKWUYGCYFIIT-UHFFFAOYSA-N 358.344 3.802 0 40 FHAB COC(=O)[C@]1(C)[C@H]2[C@H]3CCC[C@@H]3[C@H]3[C@@H]2[C@@H]2[C@H]4[C@H]5[C@H](CC[C@@]5(C)C(=O)[C@@]34C)[C@H]21 104294814 UUGXCKXVYHJQAL-AINJKJFGSA-N 368.517 3.955 0 40 FHAB CC(C)C[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccccc1 23100102 WCWZXPRFQAYVLD-SFHVURJKSA-N 360.479 3.575 0 40 FHAB COc1cccc(-c2nnc(-c3cc4cccc(OC)c4oc3=O)o2)c1 970426 QLHNBKXNGCKDJY-UHFFFAOYSA-N 350.330 3.527 0 40 FHAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 23767259 DEZRWKSKDPBFTC-UHFFFAOYSA-N 365.380 3.659 0 40 FHAB Cc1nc(-c2cccc(C(=O)NC[C@@H]3CCCN3CC(C)C)c2)cs1 89712631 MJXRRACKTCLATO-SFHVURJKSA-N 357.523 3.969 0 40 FHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccoc3C)n2)cc1 12388027 UHMSSPKBBLQWKB-UHFFFAOYSA-N 355.419 3.600 0 40 FHAB COc1ccccc1[C@H](CNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCCC1 105700073 YRFVYDVSOIHEBB-JPLJXNOCSA-N 356.510 3.775 0 40 FHAB O=C(NCc1ccccc1Cl)c1nc(Cc2c[nH]c3ccccc23)no1 12408192 DBCSVUVKCISCRD-UHFFFAOYSA-N 366.808 3.725 0 40 FHAB CC(=O)Nc1nc(CSc2nc3ccccc3c(=O)n2C(C)C)cs1 24912370 LWHQFCDQTOFFEW-UHFFFAOYSA-N 374.491 3.685 0 40 FHAB CN(C)c1ncc(S(=O)(=O)c2ccccc2)c(-c2ccc(Cl)cc2)n1 1400536 JYGQNEDLFSORGG-UHFFFAOYSA-N 373.865 3.696 0 40 FHAB COc1ccc(-c2nc(-n3cccc3)sc2C(=O)N2CCCC2)cc1 61721878 RITQVMHIYXIVBM-UHFFFAOYSA-N 353.447 3.845 0 40 FHAB CC(C)[C@H](Sc1nc2ccccc2n1C1CCCCC1)C(=O)NC(N)=O 12535438 AZJIRCHIHQFSDF-INIZCTEOSA-N 374.510 3.853 0 40 FHAB CC(=O)c1cccc(OC[C@@H](O)CN(Cc2ccco2)Cc2ccco2)c1 25228678 UBYKAOFDXRKTIU-SFHVURJKSA-N 369.417 3.517 0 40 FHAB CC(C)CC[C@H](C(=O)O)[C@H](C)CC(=O)Nc1ccn(-c2ccccc2)n1 2062087 VHLWRSHMNSBDCC-WBVHZDCISA-N 357.454 3.974 0 40 FHAB CC(C)(C)OC(=O)NCCNC(=O)c1cc2c(s1)-c1ccccc1CC2 58167135 YAJLJZJUHCUSLZ-UHFFFAOYSA-N 372.490 3.768 0 40 FHAB Cc1cc(C(=O)N(C)C2CCN(c3ccccn3)CC2)c2ccccc2n1 58168563 QLPZWBMRUACAMA-UHFFFAOYSA-N 360.461 3.679 0 40 FHAB COc1ccc(CCNC(=O)CSc2ccccc2Cl)cc1OC 3237295 CGKYXJHEHFAEKH-UHFFFAOYSA-N 365.882 3.808 0 40 FHAB Cc1ccc(-c2nnc(S)n2CC(=O)N2CCC[C@@H]2CC(C)(C)C)cc1 58209622 MMAWSHJLSHKJCW-MRXNPFEDSA-N 372.538 3.969 0 40 FHAB COc1cccc(NC(=O)[C@@H](NCC(C)(C)CN(C)C)c2ccccc2)c1 3280542 NQHHMBWKJXCDBX-FQEVSTJZSA-N 369.509 3.552 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc2ccccc2cc1O 3274913 ZGYNKBCBJGEXGX-AWEZNQCLSA-N 361.397 3.680 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)c2cc(C)n(C(C)(C)C)n2)cc1OC 45063302 AHYBPPTUTUVUPR-QGZVFWFLSA-N 371.481 3.941 0 40 FHAB COc1ccc(O)c(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2)c1 3284998 MFVVGZWILIYXRK-UHFFFAOYSA-N 362.307 3.836 0 40 FHAB CCNc1nnc(SC[C@@H](O)COc2ccccc2C(C)C)s1 58474221 NLQKTIBEHMMIEF-LBPRGKRZSA-N 353.513 3.625 0 40 FHAB COc1ccc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c(OC)c1 12608135 FBALFFCKGKODQX-UHFFFAOYSA-N 363.417 3.510 0 40 FHAB COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1ccccc1Cl 3372760 UBIXOQLSKQPXGV-UHFFFAOYSA-N 367.232 3.761 0 40 FHAB O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2ccccc2O)CC1 3356256 UVTRAXYQHQHMAQ-UHFFFAOYSA-N 372.468 3.873 0 40 FHAB CCOc1ccccc1NC(=O)CCc1nc(-c2ccc(F)cc2)no1 12789240 VYAYECZHGPUCQC-UHFFFAOYSA-N 355.369 3.846 0 40 FHAB CC(C)[C@H](NC(=O)CCCNC(=O)NC1CCCCC1)c1cccs1 12747379 ZPFHCBLUSQDHII-SFHVURJKSA-N 365.543 3.974 0 40 FHAB CC(C)OCc1ccc(CNC(=O)c2cncc(Br)c2)cc1 48341538 URCWLPSAOAZYLL-UHFFFAOYSA-N 363.255 3.699 0 40 FHAB C[C@@H](c1ccc(Cl)cc1)N(C)c1ccc2nnc(C(F)(F)F)n2n1 12853118 RPOPLMJCXKTGLN-VIFPVBQESA-N 355.751 3.994 0 40 FHAB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(Cl)cc2)CC1=O 3549215 BNNNDOVDHVHEIM-CYBMUJFWSA-N 358.825 3.730 0 40 FHAB CC(C)NC(=O)Nc1ccc(CNCc2c[nH]nc2-c2ccccc2)cc1 48784927 FHJMVWZKLOKSLC-UHFFFAOYSA-N 363.465 3.896 0 40 FHAB Cc1cc(C)n(CCCNC(=O)C2c3ccccc3Oc3ccccc32)n1 13002549 RUDDPTMXTOJGPZ-UHFFFAOYSA-N 361.445 3.944 0 40 FHAB Cc1nc2c(-c3ccccc3)c(C)nn2c2c1CCN2Cc1ccccn1 5244669 VZEMJBAXHRECCK-UHFFFAOYSA-N 355.445 3.971 0 40 FHAB CC(C)CCNC(=O)COC(=O)c1cc2c(s1)-c1ccccc1OC2 5304638 CIUZTMGHMPAXTP-UHFFFAOYSA-N 359.447 3.627 0 40 FHAB C[C@@H](OC(=O)CCSc1ccc(F)cc1)c1nc2ccccc2c(=O)[nH]1 5354867 KMQHTWYDZXNMPW-GFCCVEGCSA-N 372.421 3.849 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccc(N2CCCC2=O)cc1 14181395 HQFADEZDLXWDMG-HNNXBMFYSA-N 368.433 3.536 0 40 FHAB Cc1cc(CSc2ccccc2C(=O)N2C[C@H](C)OC(C)(C)C2)on1 65610510 NKBYGUMZCDJOJP-AWEZNQCLSA-N 360.479 3.915 0 40 FHAB CCCCc1ccc(NC(=O)COC(=O)c2cccc(N(C)C)c2)cc1 5403189 UQGPPGRCVPWNQO-UHFFFAOYSA-N 354.450 3.891 0 40 FHAB O=C(c1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F 4613814 JVDDPTYSLGCIIS-INIZCTEOSA-N 368.742 3.841 0 40 FHAB Cc1ccc2nc(CN(C)Cc3ccc(Cl)cc3Cl)cc(=O)n2c1 6626483 UTOMFXWJYDJXCI-UHFFFAOYSA-N 362.260 3.942 0 40 FHAB COc1ccc(NCc2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1 69830947 JTCYOTSYIDLWBG-UHFFFAOYSA-N 365.433 3.869 0 40 FHAB Cc1ccc(C(=O)OCC(=O)NCc2ccc(C(F)(F)F)cc2)cc1F 67198378 XQCYGABGFQRSDL-UHFFFAOYSA-N 369.314 3.626 0 40 FHAB C[C@@H](Sc1nnc(-c2ccccc2)n1C)c1nc2ccccc2c(=O)[nH]1 5903039 SWWNMTQJTSKQMF-GFCCVEGCSA-N 363.446 3.572 0 40 FHAB NC(=O)c1cccc(NC(=O)COc2ccc(Cl)c3ccccc23)c1 8944085 YJBSASCICLWCIA-UHFFFAOYSA-N 354.793 3.610 0 40 FHAB CCCN(C(=O)c1nc(C)n(-c2ccccc2)n1)[C@@H]1CCc2ccccc2C1 68091756 BYGJOUOHCJHZAW-OAQYLSRUSA-N 374.488 3.985 0 40 FHAB Cc1cc(NC(=O)[C@H](C)SCC(=O)OC2CCCCCCC2)no1 70735330 NCYJNKVPWSFFPW-ZDUSSCGKSA-N 354.472 3.699 0 40 FHAB CCc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2F)cc1 68362304 OVSQXTDWMPRSGD-KRWDZBQOSA-N 358.438 3.542 0 40 FHAB CS(=O)(=O)Cc1cccc(C(=O)Nc2ccc(SC(F)F)cc2)c1 7780089 LTKPMNXZJCBIEB-UHFFFAOYSA-N 371.430 3.798 0 40 FHAB Cc1c([C@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCCCC2)cnn1C 71280061 LXKQYYXWXCVVIR-CQSZACIVSA-N 357.458 3.627 0 40 FHAB Cc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1CC(C)C 9328466 TTXJOONGBLLLFO-UHFFFAOYSA-N 356.854 3.766 0 40 FHAB Fc1ccccc1-c1nnc(C2(c3ccc4c(c3)OCO4)CCOCC2)o1 71889780 YETRJGIFIVVIOK-UHFFFAOYSA-N 368.364 3.701 0 40 FHAB C[C@@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1cnn(C)c1 72295365 LPAUYDKWFCPLLB-GFCCVEGCSA-N 358.829 3.539 0 40 FHAB Cc1nc(CSc2ccccc2C(=O)N[C@@H]2COc3ccccc32)no1 84281456 WGPFWHGLHBRWHE-OAHLLOKOSA-N 367.430 3.534 0 40 FHAB O=C(OCCn1c(=O)oc2ccccc21)c1ccc(-c2ccccc2F)o1 84514551 KBJLOHFWEDKMRA-UHFFFAOYSA-N 367.332 3.851 0 40 FHAB CC1CCN(C(=O)[C@H]2CCCN(C(=S)N[C@H](C)c3ccccc3)C2)CC1 84697937 DOYFYLMVGBORBD-MJGOQNOKSA-N 373.566 3.593 0 40 FHAB CCC[C@@H]1CCc2c(sc(=O)n2CC(=O)N2[C@@H](C)CCC[C@H]2C)C1 95959074 HVFMIGBMWIJRNM-QLFBSQMISA-N 350.528 3.604 0 40 FHAB COc1ccc(C(=O)Nc2ccnn2-c2cccc(Cl)c2)c(OC)c1 95947544 OQLSTLHDHZPDLU-UHFFFAOYSA-N 357.797 3.795 0 40 FHAB CC(C)[C@@H](C)NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 60322500 SEHPSHMJMMMWLS-CQSZACIVSA-N 367.331 3.822 0 40 FHAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1nc(-c2ccccc2)no1 219314772 WXOMINVHNNJVNX-MRXNPFEDSA-N 351.406 3.519 0 40 FHAB COc1ccc(-c2cnc(N)nc2[C@H]2CCCN2C(=O)c2ccccc2)cc1 72354613 MQCZBKDCONICCE-LJQANCHMSA-N 374.444 3.712 0 40 FHAB O=C(COc1ccccc1)N1CCC[C@@H]1c1ccc(Nc2ccccn2)cn1 72353030 HNJRTKGRBFSUIG-HXUWFJFHSA-N 374.444 3.963 0 40 FHAB Cc1cc(S(=O)(=O)Nc2cccc(O)c2)c(C)cc1Br 32601896 DJTWDJAUFRJENO-UHFFFAOYSA-N 356.241 3.572 0 40 FHAB O=C(NCCc1nc2cc(F)ccc2s1)c1ncoc1-c1ccco1 84432835 IBBNCRBNPNFXJH-UHFFFAOYSA-N 357.366 3.656 0 40 FHAB CN(c1ccc(C(=O)Nc2ccccc2Cl)c(Cl)c1)S(C)(=O)=O 222508101 UWCFTERMHOVRFB-UHFFFAOYSA-N 373.261 3.642 0 40 FHAB O=C(Nc1cccnc1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 40073979 FMSXTXMSBNCMGB-OAHLLOKOSA-N 364.232 3.632 0 40 FHAB CC(C)(O)C(=O)c1ccc(Sc2ccc(C(=O)C(C)(C)O)cc2)cc1 59542084 COBNEOFHXCNAIE-UHFFFAOYSA-N 358.459 3.745 0 40 FHAB Cc1ccc(C)c(C(=O)N2CCN(c3cc(-c4cccs4)n[nH]3)CC2)c1 98212496 XBQZBPRDLQHIEU-UHFFFAOYSA-N 366.490 3.717 0 40 FHAB CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 580875990 QJOSGOKVFUDBLI-RNIPGJKVSA-N 364.449 3.548 0 40 FHAB c1ccc(Nc2cc(C[C@H]3CCCN(Cc4cncs4)C3)ncn2)nc1 257259305 KXSODSRWSDKXFP-OAHLLOKOSA-N 366.494 3.526 0 40 FHAB O=C(NCc1nc(CN2CCc3cc(F)ccc32)cs1)c1ccccc1 585080273 XHIRLAGKOGUQMI-UHFFFAOYSA-N 367.449 3.775 0 40 FHAB Cc1cc(C(=O)N2CCC[C@H]2c2ccc(-c3c(C)noc3C)cn2)on1 257263852 LRTHCOVSYIABBI-INIZCTEOSA-N 352.394 3.627 0 40 FHAB COc1ccc(C(C)(C)CNC(=O)c2cc(C(F)(F)F)cnc2O)cc1 635447945 AILCXTVMHWNFLA-UHFFFAOYSA-N 368.355 3.522 0 40 FHAB Cc1ccc(-c2noc(CCN3C(=O)[C@H](C)Oc4ccccc43)n2)cc1F 109506367 NWRQCRBVOMTUFZ-ZDUSSCGKSA-N 367.380 3.541 0 40 FHAB CSc1ccc([C@@H](O)CNC(=O)c2csc(-c3ccccc3)n2)cc1 96103133 ZXNIHICBHLZXBN-KRWDZBQOSA-N 370.499 3.995 0 40 FHAB Cc1c[nH]ccc1=NC(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1 654025456 FVRCVGGRPUVMHM-UHFFFAOYSA-N 351.328 3.521 0 40 FHAB COc1ccc2oc(C(=O)NCCOc3ccccc3OC)c(C)c2c1 57349772 RWTADRWDRMXBGN-UHFFFAOYSA-N 355.390 3.567 0 40 FHAB Cc1nn(C)c(Cl)c1C(=O)Nc1ccc(-c2noc(C(C)(C)C)n2)cc1 65553077 FLFMIXDZMGNPNS-UHFFFAOYSA-N 373.844 3.982 0 40 FHAB CC(=O)c1ccccc1NC(=O)CNc1ccc(Br)cc1F 11724824 CRBCCLUPSYHZKO-UHFFFAOYSA-N 365.202 3.841 0 40 FHAB O=C(c1ccc(Cl)c(Cl)c1)N1CCC(O)(c2ccccn2)CC1 12114614 DFMWBLKBDMPEDT-UHFFFAOYSA-N 351.233 3.512 0 40 FHAB Cc1cc(C)n(C[C@H](C)C(=O)N[C@@H](Cc2cccs2)c2nccs2)n1 12225874 LUSCBHWAQUFLMY-LRDDRELGSA-N 374.535 3.754 0 40 FHAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 12928204 UWNYCAXRDBDHQK-UHFFFAOYSA-N 359.234 3.753 0 40 FHAB CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1cccc2ccccc12 13567453 SHPCKCKTDLIOCB-OAHLLOKOSA-N 365.458 3.520 0 40 FHAB COc1ccc(-c2c(C)nn3c(C)c(C(=O)Nc4ccccc4)nnc23)cc1 13635820 USXKZPOMAHZBDE-UHFFFAOYSA-N 373.416 3.669 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(OC)cc1 14796061 ZEYSQKTURUFNCE-HNNXBMFYSA-N 370.449 3.631 0 40 FHAB COc1c(C)cccc1CN1CCc2nc([C@@H]3CCCCN3C)ncc2C1 19235999 NWHOCCVNLVZFHN-FQEVSTJZSA-N 366.509 3.509 0 40 FHAB Cc1cnc2cc(C3CCN(C(=O)c4ccc(F)c(F)c4)CC3)[nH]c2n1 19239372 QZGBVOYDCHRORB-UHFFFAOYSA-N 356.376 3.564 0 40 FHAB Cc1ncc(CN2CC[C@@H](c3cc(COc4ccccc4F)[nH]n3)C2)s1 19704319 VJXOYXDQFYSJDQ-CQSZACIVSA-N 372.469 3.882 0 40 FHAB Nc1nc(-c2ccccc2)nc2nc([C@@H]3CCCN(CC4CC4)C3)ccc12 19743342 IMDLMHAHCIHNJK-QGZVFWFLSA-N 359.477 3.863 0 40 FHAB Cc1cc(C)cc(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)c1 19937601 ZMASLYLYKXZHSS-UHFFFAOYSA-N 367.836 3.888 0 40 FHAB COc1cccc(-c2nc3ccc(Br)cn3c2/C=C/C(=O)O)c1 2599613 LUKCGGPETAIVJQ-SOFGYWHQSA-N 373.206 3.870 0 40 FHAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)o1 6479084 ZUEBAMKBDLDTLK-CXUHLZMHSA-N 370.430 3.880 0 40 FHAB N[C@@H](Cc1ccccc1)c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 2357814 VVOQHWBTNMPHLG-HNNXBMFYSA-N 373.865 3.941 0 40 FHAB COc1cc(C(N)=O)cc(Cl)c1OCc1ccc(Br)cc1 226329001 ZUPLKYNEOAIUSY-UHFFFAOYSA-N 370.630 3.789 0 40 FHAB COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc3c(c1)CCC(=O)N3)[C@@H]2C 679830367 IITGMGJNALXPEV-UONOGXRCSA-N 364.445 3.728 0 40 FHAB CCOC(=O)Cc1csc(NC(=O)/C=C/c2ccc(F)c(Cl)c2)n1 14801829 YCYYVRJOHYKMAZ-GQCTYLIASA-N 368.817 3.693 0 40 FHAB O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1cc(Cl)c2c(c1)OCCO2 22763693 WBZDDXHIOJPAEY-PWSUYJOCSA-N 363.763 3.962 0 40 FHAB COc1ncccc1CNC(=O)N[C@H](Cc1ccccc1)c1ccccc1 29734683 QKORPRRLOYKACB-HXUWFJFHSA-N 361.445 3.873 0 40 FHAB CCc1ccc(NC(=O)CCn2cnc3c([nH]c4ccc(C)cc43)c2=O)cc1 23125608 IDLXIXYLPCWRSB-UHFFFAOYSA-N 374.444 3.777 0 40 FHAB O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)[C@H]1CCOC1 206892116 DBQQCKPXBCEALQ-AWEZNQCLSA-N 366.446 3.924 0 40 FHAB O=S(=O)(NCc1nc(C2CCCCC2)cs1)c1c(F)cccc1F 575413967 AKVCXBGMQXUBTB-UHFFFAOYSA-N 372.462 3.948 0 40 FHAB Cc1cnc(OC2CCN(Cc3ccccc3Br)CC2)nc1 653803410 NDFVYGMCHXPFDF-UHFFFAOYSA-N 362.271 3.591 0 40 FHAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl 7708199 BZLOMIRHQYEDDU-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)C1(C)C 25611977 GTYUESRNEPUSFF-VQIMIIECSA-N 369.509 3.953 0 40 FHAB CCOC(=O)Cn1/c(=N/C(=O)c2cccs2)sc2c(C)cc(C)cc21 100910518 XNFWMRMJVMQKNI-HNENSFHCSA-N 374.487 3.685 0 40 FHAB COCc1cccc(NC(=O)Cc2c(C)nn(-c3ccccc3F)c2C)c1 40133072 KZBZVOHOFCHSDU-UHFFFAOYSA-N 367.424 3.956 0 40 FHAB O=C(Nc1ccc(Oc2cnccn2)cc1)C1C[C@@H]2CCC[C@H](C1)C2=O 40112545 OGBDXGVUXWFGIN-YIONKMFJSA-N 351.406 3.603 0 40 FHAB CC(=O)c1c(S[C@H](C)C(=O)c2ccc(C(C)(C)C)cc2)nc(=O)[nH]c1C 10915495 IJDCTOUTQIYHTK-CYBMUJFWSA-N 372.490 3.942 0 40 FHAB C[C@H]1C[C@@H]1C(=O)Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 75141194 MBUJLUHQHFNVJX-UGSOOPFHSA-N 357.837 3.874 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)c2n[nH]c3ccccc23)c(OC)c1 11261869 JBWPQEBLFYVHDF-QGZVFWFLSA-N 351.406 3.557 0 40 FHAB CC(C)[C@@H](NC(=O)[C@@H](C)Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O 1652118 NGWNHPCBHQIISN-JMCQJSRRSA-N 368.644 3.640 0 40 FHAB CCN(CC)C(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 2949346 ILOLMCXXUGQKCI-JXAWBTAJSA-N 356.853 3.979 0 40 FHAB CCN(Cc1ccccn1)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1 75108198 LUXSFTLPOUJNIC-UHFFFAOYSA-N 355.825 3.981 0 40 FHAB COc1ccccc1NC(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 6205279 LNAVMXASIQLZSV-UHFFFAOYSA-N 354.435 3.520 0 40 FHAB Cc1ccc(C)c(-n2ncc3c2N=C(O)C[C@]32C(=O)Nc3ccccc32)c1 20731857 DEPQBMQYXKOCPU-OAQYLSRUSA-N 358.401 3.719 0 40 FHAB O=C(Nc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)C(F)F)cc1 8133570 ISHDSHXDQNCCON-UHFFFAOYSA-N 360.769 3.980 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 8993705 KWYZOGNSHILEAY-AAEUAGOBSA-N 363.508 3.694 0 40 FHAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1)c1cscn1 100156362 HFDXZQJENDMWDC-TXEJJXNPSA-N 374.491 3.958 0 40 FHAB CCN1CCN(c2ccc(NC(=O)[C@@H](C)Sc3ccccc3)cc2)CC1 11944886 MGQGBAYWEYXKRN-QGZVFWFLSA-N 369.534 3.948 0 40 FHAB Cc1cccc(C)c1NC(=O)N1[C@H]2CC[C@H]1CC(O)(c1cccnc1)C2 100463767 HQVADHZGIZLPKB-ROUUACIJSA-N 351.450 3.745 0 40 FHAB Cc1cc(C)nc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)n1 678903 UONYXVGOBNFVLH-UHFFFAOYSA-N 355.250 3.527 0 40 FHAB Cc1ccccc1[C@H](C)NC(=O)CCC(=O)c1ccc2c(c1)OCCO2 42162301 DZFCXAGHERSBNW-HNNXBMFYSA-N 353.418 3.607 0 40 FHAB COc1ccc(Nc2nc3nonc3nc2Nc2ccc(OC)cc2)cc1 820214 KWKLHNFBHYWMKF-UHFFFAOYSA-N 364.365 3.517 0 40 FHAB Cc1sc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)nc1-c1ccccc1 23078703 UCOHWCUSJLSLCL-ACJLOTCBSA-N 373.503 3.511 0 40 FHAB O=C(Cc1ccccc1)NCCc1nc2ccccc2n1Cc1ccccc1 937532 LXLBUBUCNASDSR-UHFFFAOYSA-N 369.468 3.986 0 40 FHAB CN(Cc1ccc(Cl)cc1)C(=O)COc1ccc(N2CCCC2=O)cc1 24666513 BOLZIAFHQYVEAC-UHFFFAOYSA-N 372.852 3.504 0 40 FHAB CC(C)c1ccc(C(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)cc1 29084321 IIFHMTOGBXACCK-UHFFFAOYSA-N 372.415 3.686 0 40 FHAB Cn1c(-c2cccs2)nn(CN(Cc2ccncc2)C2CC2)c1=S 12544200 ROFFYNJKENCTQS-UHFFFAOYSA-N 357.508 3.697 0 40 FHAB Fc1ccccc1N1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1 57347137 FAPLUZYCNICVOG-UHFFFAOYSA-N 372.831 3.851 0 40 FHAB O=C(NC1=NCCS1)c1cccnc1Nc1cccc(C(F)(F)F)c1 44817557 WRGPQHJNAVRNBV-UHFFFAOYSA-N 366.368 3.677 0 40 FHAB COc1ccc(-c2cnc(CCC(=O)Nc3cc(C(C)C)n[nH]3)o2)cc1 58222939 IAWDBJSNAHTEBP-UHFFFAOYSA-N 354.410 3.768 0 40 FHAB O=C(CSc1nc2ccccc2[nH]1)Nc1c(F)c(F)c(F)c(F)c1F 12586624 YRMOXBOMJDYPPF-UHFFFAOYSA-N 373.306 3.989 0 40 FHAB c1ccc(-c2nnc3sc(COc4ccc5ccccc5c4)nn23)nc1 10312413 ZRXOASGZLPXQLC-UHFFFAOYSA-N 359.414 3.980 0 40 FHAB Cc1c(NC(=O)c2ccc(-c3ccco3)[nH]c2=O)cccc1OC(F)F 58305165 OVLQCLKLTKFFDH-UHFFFAOYSA-N 360.316 3.797 0 40 FHAB Fc1ccccc1-c1cc(N2CCN(c3ccccc3F)CC2)ncn1 27913621 WXWSXQXIHDUMHO-UHFFFAOYSA-N 352.388 3.748 0 40 FHAB CCc1nn(C2=NN=C(c3ccc(OC)cc3)Cc3ccccc32)c(N)c1C 28297208 LEZNRQBDBWXVOI-UHFFFAOYSA-N 373.460 3.600 0 40 FHAB O=C(c1cc2ccccc2oc1=O)N1CCn2cccc2[C@H]1c1ccccc1 45248732 YVMIXCLCEKANJW-OAQYLSRUSA-N 370.408 3.840 0 40 FHAB O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1F 3264919 VNXOHSIASFZXNJ-UHFFFAOYSA-N 360.772 3.685 0 40 FHAB CSc1ccc(Cl)c(C(=O)OCC(=O)N2CCc3ccccc32)c1 3219371 NJTDEAHRHQJQEA-UHFFFAOYSA-N 361.850 3.808 0 40 FHAB Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N(C)C[C@@H]1CCCO1 69033705 PRNIHWAAWVPYSM-SFHVURJKSA-N 373.497 3.510 0 40 FHAB Cc1cc(NC(=O)CN(C)[C@@H](C)c2ccccc2)n(-c2ccc(F)cc2)n1 12767674 KNOIZYFPQNHPJU-INIZCTEOSA-N 366.440 3.951 0 40 FHAB COc1cc(C(=O)OCc2ccccc2F)cc(Br)c1O 8131857 GQUQAEOWGIFFCY-UHFFFAOYSA-N 355.159 3.659 0 40 FHAB COC(=O)Nc1ccc(CNC(=O)[C@H](C)Oc2ccccc2Cl)cc1 48355455 CPVLPGLBEMOYAX-LBPRGKRZSA-N 362.813 3.602 0 40 FHAB Cc1cc(NC(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)no1 48354286 LLOIKSUTLCFFNW-AWEZNQCLSA-N 352.394 3.840 0 40 FHAB C[C@@H]1CCC2=NN(C(=O)c3ccccc3Cl)[C@@](O)(C(F)(F)F)[C@H]2C1 409057039 SZVRVRXHGKJCFY-VPJDZLOFSA-N 360.763 3.839 0 40 FHAB COc1ccc(Cl)cc1NC(=O)CCCNC(=O)c1cccs1 12803814 CXHYMVCWSJSQDZ-UHFFFAOYSA-N 352.843 3.559 0 40 FHAB Cc1ccc(OCC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(C)c1 12884867 UQJKJHUPQZODLN-GOSISDBHSA-N 366.461 3.560 0 40 FHAB O=C(CCCNC(=O)c1cccs1)Nc1cccc(Br)c1 12907473 XHVRWOCQKAJZPX-UHFFFAOYSA-N 367.268 3.659 0 40 FHAB CC[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)NCc1ccccc1 12975705 HYYZIXHESJDJHK-MRXNPFEDSA-N 356.495 3.678 0 40 FHAB O=C(CCCOc1ccccc1)N1CCN(Cc2ccc(Cl)cc2)CC1 13070774 DAODONAWWZGXQT-UHFFFAOYSA-N 372.896 3.843 0 40 FHAB Cc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c(=O)[nH]1 13000015 WFCZRPCWECBKAI-VIFPVBQESA-N 368.264 3.504 0 40 FHAB COCCCn1c(C)cc(C(=O)COC(=O)c2c[nH]c3ccccc23)c1C 5137131 UTKBYQCDVXMCKD-UHFFFAOYSA-N 368.433 3.662 0 40 FHAB CCc1cccc2c(C(=O)C(=O)Nc3cc(OC)ccc3OC)c[nH]c12 13843008 QDTIINNNINAOTN-UHFFFAOYSA-N 352.390 3.569 0 40 FHAB Cc1ccc(NC(=O)CN2CCn3cccc3[C@@H]2C)cc1Br 14198677 PKAOJPCZSQXNPJ-ZDUSSCGKSA-N 362.271 3.574 0 40 FHAB Cc1ccc(C)c2sc(NC(=O)c3ccccc3S(C)(=O)=O)nc12 4517798 MBXFTMBWPIMXFL-UHFFFAOYSA-N 360.460 3.569 0 40 FHAB COc1cccc(C(=O)OCC(=O)N2CC[C@H](C)Sc3ccccc32)c1 5470400 FPSRQECMIYQZIC-AWEZNQCLSA-N 371.458 3.770 0 40 FHAB O=C(NC(=S)Nc1ccccc1Br)c1cccc(F)c1 5799729 STGCHWHTDJOEGD-UHFFFAOYSA-N 353.216 3.715 0 40 FHAB O=C(CN1CCSC1=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 6886966 IBOYHJLRJBVUDS-UHFFFAOYSA-N 373.503 3.796 0 40 FHAB COC(=O)c1ccc(NC(=O)c2c3c(nc4ccccc24)CCC3)s1 15193480 UCZZXFNLKUILOT-UHFFFAOYSA-N 352.415 3.824 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)COc2ccccc2Br)c1C 7006893 PYEQOWMXYQXGRB-UHFFFAOYSA-N 350.212 3.858 0 40 FHAB O=C(c1ccccn1)N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1 8673160 RQHDNHKUSSLBDQ-UHFFFAOYSA-N 361.445 3.898 0 40 FHAB CN(Cc1cccc(Cl)c1)S(=O)(=O)c1cccc(Br)c1 7248856 FXFAQMIMVWZPDI-UHFFFAOYSA-N 374.687 3.923 0 40 FHAB COc1ccc(Nc2nc(Cn3nnc(-c4ccsc4)n3)cs2)cc1 7255719 LLWFOJGUUCTLAW-UHFFFAOYSA-N 370.463 3.659 0 40 FHAB CCCCNc1nnc(S[C@@H](C)C(=O)Nc2ccc(OC)cc2)s1 7226809 KGGVYRYOOFWOIA-NSHDSACASA-N 366.512 3.878 0 40 FHAB CN(C)S(=O)(=O)c1ccc2[nH]c(/C(Cl)=C/c3ccsc3)nc2c1 7333246 BQSDICOHQLMSQF-GHXNOFRVSA-N 367.883 3.612 0 40 FHAB CC[C@@H](C)c1ccccc1NC(=O)CCc1c(C)nc(SC)[nH]c1=O 8768523 WNUUQOUMILFQCU-GFCCVEGCSA-N 359.495 3.885 0 40 FHAB Cc1ccc2c(N)c(C(=O)NCCc3c[nH]c4ccccc34)sc2n1 8748682 WGDAKNAWCCZOOZ-UHFFFAOYSA-N 350.447 3.641 0 40 FHAB O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1-c1cccc(Cl)c1 19960186 HREJNVFSRUOYDT-UHFFFAOYSA-N 373.803 3.749 0 40 FHAB CN(C)C(=O)c1ccc(Cl)cc1NC(=O)c1nc(Cl)ccc1Cl 83847506 CGGVIYDGWQANNI-UHFFFAOYSA-N 372.639 3.996 0 40 FHAB Cc1cc(NC(=O)[C@H](C)Sc2nnc(NC3CCCCC3)s2)no1 9315497 FLYHYGUTOPQEQE-JTQLQIEISA-N 367.500 3.698 0 40 FHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc(N2CCOCC2)cc1 9314469 ANIQXWJGQDSJKQ-DUXKGJEZSA-N 374.525 3.939 0 40 FHAB COc1cc(C)cc2oc(=O)c(CC(=O)Nc3ccc(Cl)cn3)c(C)c12 9418960 BEBTVSFGTRUIKK-UHFFFAOYSA-N 372.808 3.648 0 40 FHAB C[C@@H](c1cccs1)N(C)CC(=O)Nc1cccc(N2CCCC2=O)c1 9446097 BMDDNWUQZAAYJF-AWEZNQCLSA-N 357.479 3.506 0 40 FHAB O=C(Nc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)cc1)C1CC1 9503654 PJPLOTSOGGGCMH-UHFFFAOYSA-N 352.409 3.979 0 40 FHAB Cc1ccc2nc(CNC(=O)c3cnn(-c4cccc(Cl)c4)c3)[nH]c2c1 97010774 HMZYZRVBDNEMDR-UHFFFAOYSA-N 365.824 3.640 0 40 FHAB C[C@H](NC(=O)c1ccc2c(n1)CCCC2)c1nc(-c2cccnc2)cs1 89913594 XHOULVKJJPEIAS-ZDUSSCGKSA-N 364.474 3.970 0 40 FHAB CC(C)CC[C@@](C)(O)CNC(=O)CCCc1ncc(-c2ccccc2)o1 72304310 VNEZXZFJUKHGHM-OAQYLSRUSA-N 358.482 3.968 0 40 FHAB CCCCN(C)c1ccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cc1 76092457 WEHDWVQLQTZYTR-UHFFFAOYSA-N 368.456 3.911 0 40 FHAB Cn1c(=O)oc2cc(NC(=O)[C@@H](OC3CCCC3)c3ccccc3)ccc21 78479767 TVVPZZHTRFJJKZ-IBGZPJMESA-N 366.417 3.771 0 40 FHAB CCCN(CCN(C)C)C(=O)CCSc1ccccc1Br 78710680 IKKYKPCSHYONLI-UHFFFAOYSA-N 373.360 3.732 0 40 FHAB CC(C)[C@H](c1ccccc1)c1nc(-c2ccc(NS(C)(=O)=O)cc2)no1 544994318 JZJKNJNCASNSTK-QGZVFWFLSA-N 371.462 3.896 0 40 FHAB COc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1Cl 30332352 FXBLZQANINTVFA-UHFFFAOYSA-N 355.887 3.596 0 40 FHAB CC(C)COc1ccc(NC(=O)[C@H](C(C)C)N2CCCC2=O)cc1Cl 60291344 FBNOICGMUKQLCN-SFHVURJKSA-N 366.889 3.960 0 40 FHAB COc1ccc(NCN2C(=O)S/C(=C/c3cccc(F)c3)C2=O)cc1 33552766 DNLWXMOECUKVAK-MHWRWJLKSA-N 358.394 3.940 0 40 FHAB COc1ccccc1-c1nccnc1[C@H]1CCCN(C(=O)c2ccncc2)C1 72358724 XWHRPHBYIQSWOC-KRWDZBQOSA-N 374.444 3.567 0 40 FHAB Cc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3cc(C)ccc3C)n2)cc1 219075296 JMIDSRYINWFEGA-INIZCTEOSA-N 365.433 3.746 0 40 FHAB CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccccc4)c3)nn12 33649547 JHYQKYAILMKXHI-UHFFFAOYSA-N 363.446 3.976 0 40 FHAB COc1cccc([C@@H](CNC(=O)CCCc2ccccc2)N2CCCC2)c1 40107425 VATJZIFLHDDRNA-JOCHJYFZSA-N 366.505 3.971 0 40 FHAB Cc1cc(Br)c(S(=O)(=O)n2ccnc2C(C)C)cc1C 41095473 HLOATGFZEJDXOA-UHFFFAOYSA-N 357.273 3.623 0 40 FHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C(C)C)c1C 223004382 PUIHTUGXSYLTEK-RBUKOAKNSA-N 372.538 3.700 0 40 FHAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1OC 225057384 UWPWNEXONUUZDM-CABCVRRESA-N 357.450 3.911 0 40 FHAB O=C(N[C@H](CO)c1cccc(Br)c1)c1ccc2c(c1)CCC=C2 573116147 QMDLHQQALHPUJJ-GOSISDBHSA-N 372.262 3.872 0 40 FHAB Cc1cccc(OCCNC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 225122611 FYBZWRMMUYQMOS-KRWDZBQOSA-N 353.462 3.836 0 40 FHAB CCc1noc2ncc(C(=O)N3Cc4ccccc4OC(C)(C)C3)cc12 329494372 DDWGPVZVQQRELN-UHFFFAOYSA-N 351.406 3.599 0 40 FHAB CCOc1ccc(CCC(=O)NCCOCc2ccccc2)cc1OCC 224394466 DMGMNKUAJOZOBW-UHFFFAOYSA-N 371.477 3.750 0 40 FHAB O=C(NCc1cccc(F)c1)N1CC[C@@H](c2noc(-c3cccs3)n2)C1 238860738 KPIQRCNCAUGPSH-CYBMUJFWSA-N 372.425 3.636 0 40 FHAB O=C(c1ccn(-c2ccc3ccc(-c4ccccc4)cn23)n1)N1CCCO1 96038078 SJFHQEBITDRSFB-UHFFFAOYSA-N 358.401 3.570 0 40 FHAB COC[C@@H]1CCC2(CCN(C(=O)c3csc4ccccc34)CC2)N1C 96207883 RDGQFFZMGGWFCP-HNNXBMFYSA-N 358.507 3.617 0 40 FHAB CN(C)C(=O)Oc1cccc(-c2cc(C(F)(F)F)cnc2N(C)C)c1 91695483 PAIDLSWBNJIHDS-UHFFFAOYSA-N 353.344 3.894 0 40 FHAB c1ccc(CO[C@@H]2CSC3(C2)CN(Cc2cccc4[nH]ccc24)C3)nc1 247846119 MSPVFVUSNLBNEB-SFHVURJKSA-N 365.502 3.840 0 40 FHAB Cc1cn(C)c([C@H]2CCCN(C(=O)c3cc(C4CCCCC4)no3)C2)n1 257237234 HFRTZVZQZUCNIG-INIZCTEOSA-N 356.470 3.784 0 40 FHAB Cc1c([C@@H](NCc2ccccc2S(N)(=O)=O)C(C)C)oc2ccccc12 585084843 WAQAWDBIAOXDBX-IBGZPJMESA-N 372.490 3.876 0 40 FHAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1n[nH]c(=S)n1C 5444180 FQQUZIXXKSCCDT-NSHDSACASA-N 359.282 3.912 0 40 FHAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)c1ccc[nH]1 5102559 LEKPSIZFLNYWTO-UHFFFAOYSA-N 371.824 3.569 0 40 FHAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)/C=C/c2cccc(OC)c2)cc1 5748501 KWCCUIARIWNNHQ-NRMKIYEFSA-N 353.418 3.841 0 40 FHAB Cc1onc(-c2ccncc2)c1C(=O)N[C@@H](c1ccccc1)c1cccnc1 12148239 HKDQDSDIQYKBJT-FQEVSTJZSA-N 370.412 3.959 0 40 FHAB CCN(CC)CCNc1ncc(-c2cc(C)no2)c(-c2cccs2)n1 12154284 RYXILANAUNJUJW-UHFFFAOYSA-N 357.483 3.922 0 40 FHAB CCCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1C 12526009 IMRJQKGREQEBFQ-UHFFFAOYSA-N 360.479 3.634 0 40 FHAB CCOc1ccc(C2=NNC(c3cccnc3)=Nc3ccc(OC)cc32)cc1 13544246 GTMWEMJTIRYTHF-UHFFFAOYSA-N 372.428 3.923 0 40 FHAB Cc1ccc(OCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 13647794 CDVMRDUHKHNWOI-UHFFFAOYSA-N 374.289 3.800 0 40 FHAB CCc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)n1CC 13992480 BJEBQSSYMRGEBQ-UHFFFAOYSA-N 359.282 3.898 0 40 FHAB COc1ccccc1N(C(C)=O)[C@H]1SC(=O)N(c2cccc(C)c2)C1=O 16663613 LYXBGIVIKCNIFI-SFHVURJKSA-N 370.430 3.583 0 40 FHAB Cc1ccccc1Nc1nc(NC[C@@H](C)O)nc2c1cnn2-c1ccccc1 17136019 BECOXUHSTQUBSF-OAHLLOKOSA-N 374.448 3.660 0 40 FHAB Cc1ccc(N2C[C@@H](C(=O)Nc3nc(C(C)C)cs3)CC2=O)c(C)c1 19714996 ZRCKDZWSOVGZLR-AWEZNQCLSA-N 357.479 3.875 0 40 FHAB CCCCC(=O)NC(=S)Nc1cccc(-c2ccc(C(=O)O)o2)c1C 226350698 BVIXGRSYUAWYOF-UHFFFAOYSA-N 360.435 3.956 0 40 FHAB CCCCC(=O)NC(=S)Nc1ccc(C)c(-c2ccc(C(=O)O)o2)c1 226351104 KXTFDDGEANKERJ-UHFFFAOYSA-N 360.435 3.956 0 40 FHAB Cc1sc(C(N)=O)cc1NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 675278945 TYZDKNVYLKBNTN-UHFFFAOYSA-N 368.380 3.845 0 40 FHAB Cc1ccccc1-n1c(C)nnc1S[C@@H](C)C(=O)NCc1ccccc1 5619479 FYMQLAVINPRURD-HNNXBMFYSA-N 366.490 3.681 0 40 FHAB C[C@H]1CCc2ccccc2N1C(=O)CSc1nc(C2CCCC2)n[nH]1 12104337 KJHKGAQQHQPQPC-ZDUSSCGKSA-N 356.495 3.922 0 40 FHAB CC(C)(C)c1cn2nc(C(=O)Nc3nc4c(s3)CCCC4)ccc2n1 1888897913 NXWINFBIKHGUBE-UHFFFAOYSA-N 355.467 3.614 0 40 FHAB C[C@H](Sc1ncc2ccccn12)C(=O)Nc1ccc(F)c(F)c1F 26372337 OMJOUCSAYCDUMB-VIFPVBQESA-N 351.353 3.871 0 40 FHAB O=C(NC[C@@H]1COc2ccccc2O1)Nc1cccc(C(F)(F)F)c1 3901357 NKBRFRZQFYYIPL-CYBMUJFWSA-N 352.312 3.667 0 40 FHAB Cc1ccc2nc(SCc3ccc(Cl)cc3Cl)nc(=O)n2c1 4503746 GBHDPMQEUHSLJZ-UHFFFAOYSA-N 352.246 3.997 0 40 FHAB CCN(CC)CCOC(=O)c1ccc(NCCC(=O)c2ccccc2)cc1 4623832 FDIWIFCUMSMFAL-UHFFFAOYSA-N 368.477 3.870 0 40 FHAB Cc1ccc(N(C(=O)c2ccccc2C)[C@H]2C=CS(=O)(=O)C2)cc1C 5071186 MVGQUEOGZNZEQO-SFHVURJKSA-N 355.459 3.569 0 40 FHAB Cc1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1F 5201326 GFFMJAMXLWXGSC-CQSZACIVSA-N 361.804 3.715 0 40 FHAB COCCn1cc(NC(=O)NCCc2ccc(F)cc2)c2ccccc21 5266442 QOMHAKBHMYVFNF-UHFFFAOYSA-N 355.413 3.791 0 40 FHAB COc1ccccc1CNC(=O)Cc1csc(Nc2ccccc2)n1 16850074 IFOHRTYEDDVBTO-UHFFFAOYSA-N 353.447 3.754 0 40 FHAB CC[C@@H](C)c1ccccc1OC[C@H](O)CN1CCN(c2ccccc2)CC1 20807194 LQTRZGRKWASDLG-TZIWHRDSSA-N 368.521 3.762 0 40 FHAB O=C(CCc1ccccc1F)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 206713563 HBQLCHKJDBVNEW-MRXNPFEDSA-N 355.331 3.627 0 40 FHAB O=C(NCc1nccnc1-c1cccs1)c1nc2ccccc2s1 575619342 DLSKBUSZNIQDHG-UHFFFAOYSA-N 352.444 3.745 0 40 FHAB Cc1nc(NC(=O)COC(=O)C2(c3ccc(F)cc3)CCC2)sc1C 40050595 HZFXFTHLCJZJRG-UHFFFAOYSA-N 362.426 3.503 0 40 FHAB COc1ccc(CCC2CCN(C(=O)c3cc(C(C)=O)c[nH]3)CC2)cc1 40023353 ZODUFHIBXBDYHR-UHFFFAOYSA-N 354.450 3.711 0 40 FHAB Nn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccncc1 2422266 PFMLUSZITQHSIY-UHFFFAOYSA-N 352.250 3.653 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1cc(F)cc(F)c1 8745133 XJOLYRMCNVYFRZ-UHFFFAOYSA-N 355.344 3.589 0 40 FHAB O=C(CSc1ncnc2sc3c(c12)CCCC3)Nc1nccs1 933056 HMLRJPDBOONUQS-UHFFFAOYSA-N 362.505 3.757 0 40 FHAB CCOC(=O)N(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)cc1 1107805 JWRUXSAWFUROFF-UHFFFAOYSA-N 369.826 3.700 0 40 FHAB Clc1cccc(Cl)c1C(Nc1nncs1)Nc1nncs1 1589490 CZPVKGRQYZJYFU-UHFFFAOYSA-N 359.267 3.919 0 40 FHAB in-vitro CC(C)[C@H](C)NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 3536349 UAQLZMWJTXWEDJ-AWEZNQCLSA-N 366.417 3.812 0 40 FHAB CC(=O)N[C@@H]1C(=O)N(CCCOc2ccc3ccccc3c2)c2ccccc21 4993177 YEGNCLXTVYGUSG-QFIPXVFZSA-N 374.440 3.833 0 40 FHAB CC[C@H](Oc1ccc(C)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 7380668 DBANWFFYSVXCKR-FQEVSTJZSA-N 356.441 3.640 0 40 FHAB Cc1cnc(NC(=O)COc2ccc(Cl)cc2Br)s1 7800718 LTYGXKLRMNPYFX-UHFFFAOYSA-N 361.648 3.885 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1OCC 7927757 QJHUDWBLVBMQHU-UHFFFAOYSA-N 357.378 3.563 0 40 FHAB Nc1nnc(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)s1 2619994 CPBRALZOUZFPML-CYBMUJFWSA-N 360.439 3.732 0 40 FHAB Cc1cc(C(=O)NCC[C@@H]2CCCO2)cc(C)c1OCc1cccnc1 32626793 GZOZWDVFKRFCBB-IBGZPJMESA-N 354.450 3.576 0 40 FHAB COc1ccc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)c(OC)c1 8091664 KJOFISJACMMPRJ-UHFFFAOYSA-N 367.445 3.747 0 40 FHAB C[C@H](C(=O)NCC1(c2ccccc2)CCCC1)n1c(=O)oc2ccccc21 32888527 ZEVNZFCIHIXWME-MRXNPFEDSA-N 364.445 3.784 0 40 FHAB COc1cc(CCC(=O)N(C)Cc2cc(C)ccc2OC)cc(OC)c1 21637107 WIVFXTVIKLPXLJ-UHFFFAOYSA-N 357.450 3.612 0 40 FHAB Cc1c(C(=O)Nc2ccc(N3CCOCC3)cn2)sc2cccc(F)c12 32908490 MKVCRNUBRCJXHA-UHFFFAOYSA-N 371.437 3.833 0 40 FHAB Cc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3)cs2)c(C)c1 32916414 YNMRWYYOXFWLDB-UHFFFAOYSA-N 358.488 3.905 0 40 FHAB COc1ccc(CN(C)C(=O)C2CCN(Cc3ccccc3)CC2)cc1 9062862 SNLWZRVVQRYQGU-UHFFFAOYSA-N 352.478 3.566 0 40 FHAB Cc1ccc(Nc2nnc(SCC(=O)NC3CC3)s2)cc1Cl 9603413 YMSBJMRKUBQMPP-UHFFFAOYSA-N 354.888 3.614 0 40 FHAB O=c1c2ccccc2n(Cc2cccc(Cl)c2)c(=O)n1-c1ccccc1 9926732 ZSMVNYOOECGNNL-UHFFFAOYSA-N 362.816 3.854 0 40 FHAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc3oc(-c4cccc(C)c4)nc3c2)C1 57326902 RQFZCTLOOJTCTE-OAHLLOKOSA-N 364.401 3.719 0 40 FHAB COc1ccc(CN2c3cccc[n+]3C[C@@]2(O)c2ccc(Cl)cc2)cc1 787815 HIVMWJZEACVTIW-OAQYLSRUSA-N 367.856 3.502 0 40 FHAB O=C(N[C@H](Cc1ccccc1)C(=O)O)C(c1ccccc1)c1ccccc1 3082306 QVEDURKSSUBWSO-HXUWFJFHSA-N 359.425 3.631 0 40 FHAB Cc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc(C)c1O 12555569 LKHZNMQPAYRRRQ-UZLBHIALSA-N 352.434 3.755 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2)C1 59227307 YZNUIEFPDAVTNB-ZDUSSCGKSA-N 358.825 3.649 0 40 FHAB O=C(CN1CCCC1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 1241050 BSORSBJEHBVCGI-KRWDZBQOSA-N 357.841 3.707 0 40 FHAB O=C1CC[C@@H]2S/C(=C/Nc3ccc(Oc4ccccc4)cc3)C(=O)N12 1392232 MHYYIKHYJPZWFH-QIPRVMPFSA-N 352.415 3.954 0 40 FHAB COCCOc1cc(NC(=O)C2(c3ccccc3)CCC2)ccc1OC 25225858 KUUNRZFVVDTEIU-UHFFFAOYSA-N 355.434 3.781 0 40 FHAB COc1cc(Br)c(NC(=O)Cc2cccc(F)c2)cc1OC 56166768 QOUKMWZJFHWDRE-UHFFFAOYSA-N 368.202 3.787 0 40 FHAB CN(C[C@@H]1CCCOC1)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 107642935 FYBUHNXXDQCRKR-KRWDZBQOSA-N 367.493 3.775 0 40 FHAB CC(=O)c1cccc(NC(=O)N(CCO)[C@@H]2CCCc3ccccc32)c1 75612951 FUGALFAOKKHDTQ-HXUWFJFHSA-N 352.434 3.793 0 40 FHAB O=C(CCC(=O)c1cccs1)NCc1ccc(Br)s1 23134454 WKJXUWOIZPHYOE-UHFFFAOYSA-N 358.282 3.851 0 40 FHAB COc1ccccc1-c1nnc(SCC(=O)Oc2ccc(C)cc2)o1 20899628 MUEKXVRFZZXWCO-UHFFFAOYSA-N 356.403 3.751 0 40 FHAB C1CCN(CCSc2nnc(SCCN3CCCCC3)s2)CC1 57471746 LKDUYRIFDROYKQ-UHFFFAOYSA-N 372.629 3.694 0 40 FHAB Cc1nc(N2CC[C@H]3CCOC(=O)[C@H]32)c2cc(-c3ccccc3)sc2n1 108362711 PDZKOBQAOUEIDL-YOEHRIQHSA-N 365.458 3.809 0 40 FHAB O=C(Cc1ccc2c(c1)CCC2)NC[C@@H](c1ccco1)N1CCCCC1 44515481 SAQUUBWSNDYDQS-FQEVSTJZSA-N 352.478 3.654 0 40 FHAB Cc1cc(C)c(NC(=O)CNc2cc(C)nc(-c3ccncc3)n2)c(C)c1 57825366 GLLUQIATAGOIIS-UHFFFAOYSA-N 361.449 3.823 0 40 FHAB Cc1cc(NC(=O)CCSc2nnc3cc(C)c4ccccc4n23)no1 58011326 FSSQXULZPFPEHK-UHFFFAOYSA-N 367.434 3.608 0 40 FHAB O=C(CNC(=O)c1ccoc1)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 58179101 PKOKMAKTEZKBCQ-KRWDZBQOSA-N 374.849 3.630 0 40 FHAB CCOc1cccc(NS(=O)(=O)c2ccc(Br)s2)c1 10112180 LUIDDUWGUVNHRD-UHFFFAOYSA-N 362.270 3.710 0 40 FHAB O=c1[nH]c(CCSc2nnc(C3CCCCC3)o2)nc2ccccc12 58202733 JQOAAPGLZDKZAY-UHFFFAOYSA-N 356.451 3.689 0 40 FHAB O=C(CSc1cccc[n+]1[O-])Nc1ccc2nc(C3CC3)sc2c1 58295350 KEELHDVPHYGPFQ-UHFFFAOYSA-N 357.460 3.538 0 40 FHAB CCC[C@H](C)NC(=O)c1cn(CC)c2ccc(C(F)(F)F)cc2c1=O 22236948 JWBRIXLKHIIVKV-NSHDSACASA-N 354.372 3.959 0 40 FHAB CCCN1C(=O)N/C(=C/c2cccc(OCc3ccccc3F)c2)C1=O 409243777 YJVZKPDSWKDHLS-LDADJPATSA-N 354.381 3.707 0 40 FHAB C[C@H](C(=O)Nc1cc2[nH]c(O)nc2cc1Br)c1ccccc1 408529403 JMDLMKROYVZKEP-VIFPVBQESA-N 360.211 3.773 0 40 FHAB CC(C)NC(=O)Nc1ccc(CNC(=O)c2nccc3ccccc23)cc1 58414089 LOYMJHTUWVBHMY-UHFFFAOYSA-N 362.433 3.695 0 40 FHAB CCC[C@H]1CCCN(C(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)CC1 58418808 NMUMONNHFURJSG-INIZCTEOSA-N 359.470 3.646 0 40 FHAB CC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1 10873615 YGSNGWKKFNTKNY-NPFQLIISSA-N 369.461 3.976 0 40 FHAB CC(C)c1ccc(C(=O)N2CCN(C(=O)/C=C/c3cccs3)CC2)cc1 12896155 HIBQTJZZYUDXDT-MDZDMXLPSA-N 368.502 3.869 0 40 FHAB O=C(CSc1nnc(Nc2ccccc2F)s1)NC1CCCC1 3464514 XQHCVQZEWADAOV-UHFFFAOYSA-N 352.460 3.572 0 40 FHAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(OC[C@@H]2CCCO2)cc1 12904969 BLTKHHHMXQYSPD-SFHVURJKSA-N 369.417 3.658 0 40 FHAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccnn1Cc1ccco1 13039265 WRPNUOIVMLTLRH-UHFFFAOYSA-N 366.204 3.849 0 40 FHAB CCCOC(=O)c1ccc(NC(=O)C[C@@](C)(C(=O)O)c2ccccc2)cc1 13251506 WIWIDUOJFBCHBO-OAQYLSRUSA-N 369.417 3.625 0 40 FHAB Cc1ccc([C@H](NC(=O)CCNC(=O)c2ccco2)c2ccccc2)cc1 8342780 LYJJAUUXJSFYNO-OAQYLSRUSA-N 362.429 3.614 0 40 FHAB COc1ccc(C(=O)Nc2ccc([S@](=O)Nc3nccs3)cc2)cc1 3958973 CLPRRCYBSYFGND-RUZDIDTESA-N 373.459 3.539 0 40 FHAB COc1ccc(-c2noc(CSc3nc4ccccc4[nH]3)n2)c(OC)c1 4385879 QKQMQXYKGBKAHC-UHFFFAOYSA-N 368.418 3.922 0 40 FHAB Cc1ccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)c(Cl)c1 5253810 KGJSHNDJWNSPIE-UHFFFAOYSA-N 362.216 3.650 0 40 FHAB CCCSc1nnc(SCc2cc(=O)n3ccc(C)cc3n2)s1 14016454 CLICGRRSDCALAV-UHFFFAOYSA-N 364.521 3.649 0 40 FHAB CCOc1ccc(C(=O)CSc2nncn2-c2ccc(OC)cc2)cc1 6620413 UGDBGFKGBGHWTN-UHFFFAOYSA-N 369.446 3.650 0 40 FHAB Cc1cc(C)c(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1 17960724 XWOXCHJPQXMLKS-UHFFFAOYSA-N 354.494 3.883 0 40 FHAB COc1ccc(CN(C)S(=O)(=O)c2ccc3ccccc3c2)c(OC)c1 5934061 UIVYXMQZIFKVJC-UHFFFAOYSA-N 371.458 3.678 0 40 FHAB CSc1ccc(CNC(=O)c2[nH]nnc2Nc2ccc(C)c(C)c2)cc1 67283914 MWQIBQBSNVTPFV-UHFFFAOYSA-N 367.478 3.817 0 40 FHAB Cc1cc(N)nc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)n1 7048714 FMPUBLRQERVPCJ-MRVPVSSYSA-N 357.266 3.793 0 40 FHAB Cc1cccc(OCC(=O)NC[C@H](c2ccco2)N2CCCCC2)c1C 15860043 UYYSVPXVMGTJKZ-GOSISDBHSA-N 356.466 3.619 0 40 FHAB COc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1 7545415 BJXXDXQBMDEKOM-DOMZBBRYSA-N 374.820 3.714 0 40 FHAB Cc1nc2c3ccccc3nc(SCCC(=O)Nc3ccccc3)n2n1 8762451 OQXYEBRJPSVCJU-UHFFFAOYSA-N 363.446 3.707 0 40 FHAB COc1ccc([C@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCC2)cc1O 71280375 RDWVBDHYDBRMHN-CYBMUJFWSA-N 357.410 3.519 0 40 FHAB COCCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nc2ccccc21 9642043 WKMLUDPXTSPHSH-AWEZNQCLSA-N 355.463 3.802 0 40 FHAB O=C(NCc1cn2ccsc2n1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 84502060 ZAQRGZCSXPRORH-OLZOCXBDSA-N 365.380 3.835 0 40 FHAB CC(C)C1CCC(N2CCN(Cc3nnc(-c4ccco4)o3)CC2)CC1 84680797 YJECICNLCCWLEO-UHFFFAOYSA-N 358.486 3.662 0 40 FHAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)c(C(=O)O)c2)c(C)c1 95951269 ACTYZKTUBVPDDF-UHFFFAOYSA-N 353.827 3.764 0 40 FHAB COc1cc2c(cc1CNC[C@H](c1ccco1)N1CCCCC1)O[C@H](C)C2 25355193 XMPLALCPPFBONS-VQIMIIECSA-N 370.493 3.928 0 40 FHAB CCCOc1ccc(N2C[C@H](C(=O)NC3CCC(C)CC3)CC2=O)cc1 408708974 VXTURXNVRPBBRW-AQFXKWCLSA-N 358.482 3.523 0 40 FHAB CCCCOc1cccc(C(=O)NC(=S)Nc2cc(OC)ccc2O)c1 408627829 ODGZQXVNXDTXRO-UHFFFAOYSA-N 374.462 3.707 0 40 FHAB COc1ccc(O[C@H](C)C(=O)NCCSCc2ccccc2C)cc1 408703385 QPAJXMCYOHIYPM-MRXNPFEDSA-N 359.491 3.821 0 40 FHAB CC1(C)OC[C@@H]2C[C@@]21NC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 528874793 IGJVONTUHNEJHU-KPZWWZAWSA-N 361.442 3.562 0 40 FHAB CCc1ccccc1N1C(=O)C[C@@H](Nc2ccccc2Br)C1=O 36635564 AXJKPOSQSDTZCJ-OAHLLOKOSA-N 373.250 3.756 0 40 FHAB CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC1CCCCC1 217523591 WVWKADPVCJEXTR-ZDUSSCGKSA-N 368.499 3.596 0 40 FHAB COc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4cnccn4)C3)n2)c1 72349195 RRVDRBKUHACZCN-KRWDZBQOSA-N 374.444 3.567 0 40 FHAB Cn1cc(CN2CCC[C@@H](c3cccc(Cc4ccc(F)cc4)n3)C2)cn1 72349978 ZBUVLOVNEBCFBY-LJQANCHMSA-N 364.468 3.925 0 40 FHAB Cn1ccnc1CN1CCC[C@@H](c2nccnc2Oc2ccccc2F)C1 72362776 GNEZQLAXLKTOMY-OAHLLOKOSA-N 367.428 3.521 0 40 FHAB Cc1ncccc1Oc1nccnc1[C@@H]1CCCN(Cc2ccccn2)C1 72383642 IWDWVZJJHIPULB-QGZVFWFLSA-N 361.449 3.747 0 40 FHAB Cc1ccc(N2C(=O)C[C@@H](Nc3ccccc3Br)C2=O)cc1C 36635466 CGKPJGIQUBRTDR-MRXNPFEDSA-N 373.250 3.810 0 40 FHAB Cn1cc(CN2CCC[C@H](c3cccc(Cc4ccc(F)cc4)n3)C2)cn1 72349977 ZBUVLOVNEBCFBY-IBGZPJMESA-N 364.468 3.925 0 40 FHAB CC(C)(C)c1ccc(NC(=O)C[C@@H]2NC(=O)c3ccccc3N=C2O)cc1 32102459 JJZVKKDYHMLIPC-KRWDZBQOSA-N 365.433 3.713 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cnc(N(C)C)c(C)c2)cc1 72218659 UNXGYQDWHFCDOQ-IBGZPJMESA-N 373.522 3.680 0 40 FHAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H](c1ccccc1)n1cccc1 62021933 JWDBCBIUEYTYLF-OAQYLSRUSA-N 361.445 3.553 0 40 FHAB CC(C)c1nccn1-c1nccnc1[C@@H]1CCCN(C(=O)C2CCCC2)C1 72350668 HJMDQYOOWPDSTN-QGZVFWFLSA-N 367.497 3.682 0 40 FHAB Cc1ccc(CN2CCC(C(=O)NCCc3ccc(F)cc3)CC2)cc1 224530701 GBJKCAYMAHWALO-UHFFFAOYSA-N 354.469 3.705 0 40 FHAB COCCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222826131 VCIFLSGISOLFOL-RBUKOAKNSA-N 372.538 3.527 0 40 FHAB CCN(CC(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1cc(C)ccc1C 225933151 UBUOUHNVPKKUHR-UHFFFAOYSA-N 374.506 3.570 0 40 FHAB CC(C)Oc1ccc(NC(=O)C2(C3(C(=O)N4CCCCC4)CC3)CC2)cc1 225926432 RJNSQSGPJZRCQP-UHFFFAOYSA-N 370.493 3.985 0 40 FHAB Cn1c2c(sc1=O)[C@H](c1ccc(F)cc1F)CC(=O)N2c1ccccc1 49547922 PHKLRIWYSYPULN-AWEZNQCLSA-N 372.396 3.925 0 40 FHAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NCC(C)C 224385159 ZKYJZAJUGBPQJM-LBPRGKRZSA-N 359.297 3.893 0 40 FHAB CC[C@@H](C)NC(=O)CCc1ncc(-c2cccc(Br)c2)o1 224882949 FCDJJMFNSALWCZ-LLVKDONJSA-N 351.244 3.951 0 40 FHAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2cccc(CN3CCCC3)c2)c1 224619090 ZWZLCGIEPYBWCX-IBGZPJMESA-N 366.505 3.983 0 40 FHAB C[C@@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccc2c(c1)OCCO2 222692489 MKEWJVIBOLSLMG-MRXNPFEDSA-N 366.461 3.939 0 40 FHAB COc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCC(C)C)s2)cc1 223776323 QQSQFZMSFVGBOW-NSHDSACASA-N 367.496 3.701 0 40 FHAB O=C(c1ccccc1)N1CC[C@H](c2nnc(Cc3c[nH]c4ccccc34)o2)C1 49171027 XPAAEXWTCQMRNO-INIZCTEOSA-N 372.428 3.771 0 40 FHAB biogenic,in-vitro CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222718953 NBYIAYRWGZLJAC-YJBOKZPZSA-N 355.434 3.801 0 40 FHAB CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)OCC(C)(C)CO3)c1 225362320 HDEJOVOLOIWAHP-UHFFFAOYSA-N 354.406 3.695 0 40 FHAB C[C@@](Br)([C@H](O)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O 96521206 OHCJDNOIADKDHL-CVEARBPZSA-N 369.280 3.543 0 40 FHAB Cc1ccc(C(=O)N2CC3(C[C@H](OCc4ccncc4)CS3)C2)cc1C 248174256 YIJCKBPSDVABQE-IBGZPJMESA-N 368.502 3.615 0 40 FHAB CCN(C[C@H]1COc2ccccc2O1)[C@H](C)C(=O)Nc1cc(C)ccc1C 240894753 IPNWDCNBYNXDIZ-MSOLQXFVSA-N 368.477 3.792 0 40 FHAB CCN(Cc1ccccc1)c1nn(-c2ccccc2Cl)nc1C(=O)O 256047300 LSTBVTBKUUQBAK-UHFFFAOYSA-N 356.813 3.645 0 40 FHAB Cc1nc(-c2cccc(C(=O)O)c2)cc([C@@H]2CCCN2C(=O)C(C)(C)C)n1 257231254 GFYGAIJMEKPLGS-SFHVURJKSA-N 367.449 3.860 0 40 FHAB CCOC(=O)c1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1Cl 260658743 BBOZYZMSICDFBG-ZIBATOQPSA-N 352.887 3.992 0 40 FHAB CC1CCN(CCNC(=O)Nc2nc(Cc3ccccc3)cs2)CC1 1668221962 LFZFSQFRRLPFPE-UHFFFAOYSA-N 358.511 3.587 0 40 FHAB CC(C)(C)SCc1nnc2sc([C@@H]3COc4ccccc4O3)nn12 1772491175 RDXOLIBPIXMDCD-LBPRGKRZSA-N 362.480 3.730 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCn1c(C)ccc1C)CC3 604403903 CVHPYYLAEJTLQK-UHFFFAOYSA-N 351.450 3.570 0 40 FHAB biogenic COc1cccc2cc(C(=O)NCc3ccnc(-c4ccncc4)c3)oc12 390826441 LIHSXAZPXZVIFQ-UHFFFAOYSA-N 359.385 3.828 0 40 FHAB COc1ccccc1[C@@H](CNC(=O)c1ccccc1C(F)(F)F)OC 96384631 UVCQLXCOPHRTPQ-MRXNPFEDSA-N 353.340 3.832 0 40 FHAB Cc1cc(OCC(=O)N[C@H]2CCO[C@@H]2C2CC2)c(C(C)C)cc1Cl 89570347 QGWXLRLJMXKNFI-QFBILLFUSA-N 351.874 3.834 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 5636675 RKNBXPOYGIEGAD-UHFFFAOYSA-N 366.870 3.623 0 40 FHAB COc1cccc(NC(=O)NCc2c(C)nn(-c3ccccc3)c2C)c1 11556738 PRSJTTRPCCFCPI-UHFFFAOYSA-N 350.422 3.819 0 40 FHAB O=C(NC1CCCC1)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12226179 KNKAFTXFQHHQCE-GOSISDBHSA-N 374.456 3.564 0 40 FHAB O=C(NC(=S)NNc1ccccc1)C(c1ccccc1)c1ccccc1 14257596 BQOPWRADFFNXEY-UHFFFAOYSA-N 361.470 3.836 0 40 FHAB C/C(=C\c1ccccc1)CN1CCC(c2ncc3c(n2)CCN(C)C3)CC1 19014366 DIKBXESCLAUHJG-NBVRZTHBSA-N 362.521 3.747 0 40 FHAB CC[C@H](C)C(=O)N(C)C1CCC2(CC1)CN(C(C)=O)Cc1ccccc1O2 19499763 QYSAEQUOHMMYEK-XQQGARBVSA-N 372.509 3.613 0 40 FHAB CCn1c(CNC(=O)C[C@H](C)n2nc(C)c(Cl)c2C)nc2ccccc21 19524344 YBVAXWVOSCBJDA-LBPRGKRZSA-N 373.888 3.790 0 40 FHAB COc1ccc(C(=O)n2cc(C(=O)O)c3ccccc32)cc1Br 226367836 JDJOKYOKOUYTDB-UHFFFAOYSA-N 374.190 3.799 0 40 FHAB Cn1c(=O)cc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c2ccccc21 19714378 GNJYAGXMMJKWIJ-KRWDZBQOSA-N 362.429 3.571 0 40 FHAB CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCN(C(C)C)C2 4223356 MJFGKTMSNOFMTB-UHFFFAOYSA-N 372.490 3.944 0 40 FHAB Cc1ccc(C)c(NC(=O)CSc2ccc(-c3ccncc3)nn2)c1 4391901 VOBKHRIZUFXTPT-UHFFFAOYSA-N 350.447 3.886 0 40 FHAB O=c1nc(SCc2ccccc2F)c2c(n1Cc1ccncc1)CCC2 5264249 AEBWHNWTPFKCJA-UHFFFAOYSA-N 367.449 3.607 0 40 FHAB COc1cccc2cc(C(=O)N3CC(n4c(C)nc5ccccc54)C3)oc12 1775974641 YKHXPNSWLOJGQJ-UHFFFAOYSA-N 361.401 3.797 0 40 FHAB Clc1cnccc1OCC1CCN(c2cnc3ccccc3n2)CC1 2070387970 ACMHZDGTCDIPRI-UHFFFAOYSA-N 354.841 3.974 0 40 FHAB O=C(NCc1ccccc1Cl)C1CCN(c2ccc(C3CC3)nn2)CC1 585149948 JTNWBPNZXQQKCV-UHFFFAOYSA-N 370.884 3.540 0 40 FHAB O=C(Nc1nc(C2CC2)cs1)[C@@H]1CCCC(=O)N1Cc1ccc(F)cc1 2298049384 KHRCCEWFXAPFMO-INIZCTEOSA-N 373.453 3.679 0 40 FHAB CN(CCCNC(=O)c1ccc(Br)s1)c1ccccc1 30014739 ASPAEPHCEWSTOL-UHFFFAOYSA-N 353.285 3.767 0 40 FHAB COc1ccccc1[C@@H](O)CNC(=O)Nc1ccc(C(F)(F)F)cc1 40097817 SMNMKMHKZPNFOY-AWEZNQCLSA-N 354.328 3.569 0 40 FHAB COc1ccc(CCC(=O)Nc2ccc3[nH]ncc3c2)cc1Br 40071687 JMICKELAGYTWMC-UHFFFAOYSA-N 374.238 3.905 0 40 FHAB Cc1ccc(CN(CC(=O)Nc2ccc(Br)cn2)C(C)C)o1 40151457 YEVKPMQTBLELCH-UHFFFAOYSA-N 366.259 3.595 0 40 FHAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3cc(Cl)cc(Cl)c32)s1 2426251 IEFUEWUCVDNENW-HNNXBMFYSA-N 356.230 3.776 0 40 FHAB COc1ccc(Cl)cc1C(=O)CSc1nnnn1-c1ccc(C)cc1 917225 WGGSCLFWGBAIEL-UHFFFAOYSA-N 374.853 3.608 0 40 FHAB Cc1ccc(NC(=O)c2cn(C3CCCCC3)c(=O)c3nnsc23)cc1 1416923 YPITURDUHGJSKN-UHFFFAOYSA-N 368.462 3.919 0 40 FHAB COC(=O)c1nnn(-c2c(C)cccc2C(C)C)c1C(=O)c1ccccc1 1588952 GFYPZQYJMMGGQM-UHFFFAOYSA-N 363.417 3.717 0 40 FHAB C[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)c2ccccc21 31780905 GREVSENSXIYJEE-HZPDHXFCSA-N 352.434 3.672 0 40 FHAB COc1ccc(N2C[C@@H](NC(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 4373569 GDPMWCBZHTUKHG-ZDUSSCGKSA-N 373.840 3.584 0 40 FHAB Cc1ccc(CN2C(=O)[C@]3(CC(O)=Nc4[nH]ncc43)c3ccccc32)cc1 20744492 ULEIFOXOQVGIFQ-OAQYLSRUSA-N 358.401 3.543 0 40 FHAB Cc1ccc2c3c(c(SCC(=O)Nc4nonc4C)nc2c1)CCCC3 4859074 XJBPFAGCSWMUMZ-UHFFFAOYSA-N 368.462 3.844 0 40 FHAB CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccoc1C 4860423 JZBDISHDLCJFJK-UHFFFAOYSA-N 356.451 3.906 0 40 FHAB Cc1cccc(C(=O)NC2CCN(C(=O)Nc3ccccc3C)CC2)c1 4888421 MVERFHSDDBYWSA-UHFFFAOYSA-N 351.450 3.730 0 40 FHAB CC(=O)Nc1ccc2nc(NC(=O)COc3ccc(Cl)c(C)c3)oc2c1 6471286 FWQUNPYZYAAXMW-UHFFFAOYSA-N 373.796 3.766 0 40 FHAB CCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@@H]1c1ccc(O)cc1 6747879 ISENWSDWPVRDLX-FQEVSTJZSA-N 363.417 3.746 0 40 FHAB O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccccc1Cn1ccnc1 32855868 IMZXLXWVVNLCAE-UHFFFAOYSA-N 373.378 3.809 0 40 FHAB COCc1cccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c1 29146195 PSDMWCXVDXBSAS-FQEVSTJZSA-N 350.418 3.736 0 40 FHAB O=C(NCc1ccccc1Cl)NCc1ccccc1CN1CCCC1 32863214 LVAAZDQYXIRJAU-UHFFFAOYSA-N 357.885 3.935 0 40 FHAB CCn1c(S[C@@H](C(N)=O)c2ccc(F)cc2)nnc1-c1ccccc1C 11752340 JPKLPCKOUYCKLR-MRXNPFEDSA-N 370.453 3.731 0 40 FHAB Cc1[nH]c(C(=O)NCC2(c3ccccc3)CC2)c(C)c1C(=O)OC(C)C 11750214 LYMNSWXVUOHXAN-UHFFFAOYSA-N 354.450 3.658 0 40 FHAB CC(=O)N[C@@H]1C(=O)N(Cc2ccc(OC(C)C)cc2)c2ccc(C)cc21 8047459 NBVNWKDEROVKID-FQEVSTJZSA-N 352.434 3.506 0 40 FHAB COc1ccc(C(N)=O)c(OCC(=O)c2cc(C)n(CCC(C)C)c2C)c1 32958223 KSFZZOXHZIWOCI-UHFFFAOYSA-N 372.465 3.520 0 40 FHAB COC(=O)c1ccc(NC(=O)NCc2cccc(C(F)(F)F)c2)cc1 57990957 NCEZNVPXMWWYCX-UHFFFAOYSA-N 352.312 3.814 0 40 FHAB CC(C)c1cc(-c2nn3c(CCCc4ccccc4)nnc3s2)[nH]n1 22504572 HTSTUWZYMZRZDH-UHFFFAOYSA-N 352.467 3.875 0 40 FHAB CCOc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)COC3)cc1 69094611 ZXQCDNVBUHMOOD-FQEVSTJZSA-N 373.474 3.641 0 40 FHAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCc2sccc2C1 12214741 BYHBGWQTUOEYLH-LLVKDONJSA-N 366.280 3.863 0 40 FHAB O=C(Nc1nnc(-c2ccc3c(c2)OCO3)s1)c1ccccc1Cl 841369 IPPWUTOZIVJVAT-UHFFFAOYSA-N 359.794 3.840 0 40 FHAB C[C@@H](NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1)c1ccc(F)cc1F 47049194 PTNBNLRWPQLENX-MRVPVSSYSA-N 361.373 3.767 0 40 FHAB C[C@@H](SCc1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1 59271320 MKIFXLALRUNCDU-MRXNPFEDSA-N 358.482 3.796 0 40 FHAB CCOc1ccc(CCC(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC 20493463 RMRICKZTOQKYTB-UHFFFAOYSA-N 371.433 3.842 0 40 FHAB Cc1cc2occ(CC(=O)N(C)CC(=O)Nc3cccc(F)c3)c2cc1C 12552300 XCJBFDPOOBERHB-UHFFFAOYSA-N 368.408 3.828 0 40 FHAB O=C(NC1CCC(C(F)(F)F)CC1)[C@H]1CC(=O)N(C2CCCCCC2)C1 106736286 AROZMZSVEKHLEK-NFOMZHRRSA-N 374.447 3.795 0 40 FHAB Cn1c(C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)cc(Cl)c1Cl 25276406 XFKXREVXQPAAFW-UHFFFAOYSA-N 374.611 3.569 0 40 FHAB Cc1cc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)n(-c2ccc(C(F)(F)F)cn2)n1 107047525 BESXOVWHUYJYRY-SGMGOOAPSA-N 364.371 3.969 0 40 FHAB COc1cc(CN[C@H](C)Cc2ccco2)cc(Br)c1OC 35254476 DYWMVZDBONSALV-LLVKDONJSA-N 354.244 3.780 0 40 FHAB Cc1ccc(C)c([C@@H](C)NC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 24959169 CFFKRULYPAWQDZ-MRXNPFEDSA-N 364.445 3.557 0 40 FHAB CCc1cc(=O)n(CC(=O)Nc2cccc(Cl)c2)c(-c2ccccc2)n1 57527198 JXOOYNNRKYYXPJ-UHFFFAOYSA-N 367.836 3.765 0 40 FHAB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1cc(Cl)cc(Cl)c1 3216389 IHMXDAKKGYZRPX-UHFFFAOYSA-N 368.172 3.518 0 40 FHAB COCCCCN1C(=O)[C@@H](Oc2ccccc2C)[C@@H]1c1cccc(OC)c1 58154815 XIUAOKDIPLFZOA-SFTDATJTSA-N 369.461 3.761 0 40 FHAB COc1ccc(-c2ccc(OC(=O)c3cccc(F)c3)nn2)cc1OC 408527103 APGBCECTDLGHFJ-UHFFFAOYSA-N 354.337 3.519 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)N1CCN(Cc2ccsc2)CC1 58140212 IRXKWYHGUMUFPV-UHFFFAOYSA-N 353.491 3.506 0 40 FHAB Cc1ccccc1NC(=O)C[C@H]1SC(=O)N(Cc2ccccc2)C1=O 10152161 BQGOKCINFMFZKL-MRXNPFEDSA-N 354.431 3.588 0 40 FHAB Cc1nc(-c2cccc(NC(=O)NC[C@@H](C)N(C)c3ccccc3)c2)no1 58392052 BROFECBNVJIQQL-CQSZACIVSA-N 365.437 3.691 0 40 FHAB O=C(c1ccc(O)cc1)C1CCN(C(=O)c2nccc3ccccc23)CC1 58425635 VJOBNIKSQLRGQH-UHFFFAOYSA-N 360.413 3.676 0 40 FHAB CSc1ncc(Br)c(-c2nnc(-c3ccc(C)cc3)o2)n1 28287133 FEBJWNKTTNXOJP-UHFFFAOYSA-N 363.240 3.986 0 40 FHAB COc1ccc(CC(=O)NCc2ccccc2CN2CCCC[C@H]2C)cc1 36392048 DTHQFMFYRQLPBV-GOSISDBHSA-N 366.505 3.929 0 40 FHAB C[C@@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)c1ccccc1 2323974 ULACSBCQOLYJEA-OAHLLOKOSA-N 354.475 3.945 0 40 FHAB Cc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)c(O)c1 3375541 JMTANLFYJUDSKA-UHFFFAOYSA-N 371.396 3.652 0 40 FHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2cccc(F)c2F)CC1 12741362 SRPUIDNVRWCABS-UHFFFAOYSA-N 373.399 3.831 0 40 FHAB COc1cc(C)c(NC(=O)COc2ccc(F)c(Cl)c2)cc1OC 12756366 ZQPRHXFPRHRSSF-UHFFFAOYSA-N 353.777 3.822 0 40 FHAB C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)c1ccc2c(c1)CC(=O)N2 48331468 HGJRQQWUGPLXPZ-GFCCVEGCSA-N 363.442 3.796 0 40 FHAB Cc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc(Br)c2)o1 3407686 IPULMCMHZDHVIF-BQYQJAHWSA-N 364.195 3.546 0 40 FHAB CCOc1ccc([C@@H](CC(=O)O)NC(=O)CCCc2ccccc2)cc1 3624351 WROVNWLCPGPLJA-LJQANCHMSA-N 355.434 3.740 0 40 FHAB CCOc1cc2c(cc1NC(=O)c1ccc(OC)c(OC)c1)O[C@@H](C)C2 14019887 UEHJKQSZZQFTBX-LBPRGKRZSA-N 357.406 3.678 0 40 FHAB O=C(NCCCn1ccnc1)c1csc(Nc2ccccc2Cl)n1 4679435 JXPRIYVNXJCQIG-UHFFFAOYSA-N 361.858 3.557 0 40 FHAB O=C(CSc1ccc(F)c(F)c1)Nc1ccc2c(c1)OCCCO2 5565378 GDIAYVSCXFFXSX-UHFFFAOYSA-N 351.374 3.857 0 40 FHAB COc1ccc(NC(=O)CSc2ccc3ccccc3n2)cc1OC 5627485 LDLNFLIJMDLCEX-UHFFFAOYSA-N 354.431 3.983 0 40 FHAB CC(C)NC(=O)CSc1ccccc1C(=O)OCCOc1ccccc1 6882082 LOCYNAJIADSSGM-UHFFFAOYSA-N 373.474 3.539 0 40 FHAB Cc1cccc(Cn2c(=O)n(-c3cccc(C)c3)c(=O)c3sccc32)c1 67258106 MGJNEJHPAWORAT-UHFFFAOYSA-N 362.454 3.879 0 40 FHAB CCCc1cc(=O)[nH]c(SCC(=O)N(Cc2ccccc2)C(C)(C)C)n1 7109709 LDFYLESJVKPCHI-UHFFFAOYSA-N 373.522 3.642 0 40 FHAB O=C(/C=C/c1c(Cl)nc2ccccn12)Nc1ccc2c(c1)OCCCO2 15618704 XNNZAVFVXIKAEC-SOFGYWHQSA-N 369.808 3.801 0 40 FHAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc(O)cc1 7362313 JZKAIGGQYBPGBZ-UHFFFAOYSA-N 365.458 3.884 0 40 FHAB C[C@@H]1CN(C(=O)C2(c3ccccc3)CCOCC2)C[C@H](c2ccccc2)O1 67827313 WYZNSIFRAOLJKH-WIYYLYMNSA-N 365.473 3.723 0 40 FHAB COc1ccc(CNC(=O)CN(Cc2ccco2)Cc2cccs2)cc1 7580584 ZIDMVEKQAOHRMG-UHFFFAOYSA-N 370.474 3.668 0 40 FHAB O=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1ccccc1N1CCCC1=O 16106072 FUHXJWPQNQECGT-OUKQBFOZSA-N 372.428 3.651 0 40 FHAB COc1cccc2cc(C(=O)NC[C@H]3CCCN3c3ccccc3)oc12 211117384 MNAGUUVYSKIVCB-QGZVFWFLSA-N 350.418 3.840 0 40 FHAB COc1ccc(OC)c2c1CN(Cc1cc(C(C)C)c(O)cc1C)C[C@@H]2O 95446136 RLLYZQKIEQFVPB-IBGZPJMESA-N 371.477 3.890 0 40 FHAB CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)c2cc(C)nn2C)cc1 95958871 VQMSAIVRGQEIJI-NRFANRHFSA-N 362.477 3.938 0 40 FHAB Cc1cccc(NC(=O)N[C@H]2CCS(=O)(=O)c3ccc(Cl)cc32)c1 79107252 CAEVTHUPPXZNPW-HNNXBMFYSA-N 364.854 3.689 0 40 FHAB CCOc1ccc(SCC(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1 22193177 ZFCDDIHFQIXIJG-UHFFFAOYSA-N 370.474 3.708 0 40 FHAB CCOc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1Br 20142344 GSTJIRRBJXDGKD-UHFFFAOYSA-N 364.195 3.798 0 40 FHAB O=C(NCCCc1ccccc1Cl)c1cccc(N2CCCC2=O)c1 219211734 OOGUTZMXNRTJPG-UHFFFAOYSA-N 356.853 3.829 0 40 FHAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccccn2)cc1 72329013 ZAGINNGBMMTBFQ-UHFFFAOYSA-N 350.422 3.581 0 40 FHAB Cc1ccc(-c2cc(C(=O)N3CCCCC[C@@H]3c3ncon3)[nH]n2)cc1 184180124 FMZOKRNTJCSNCT-QGZVFWFLSA-N 351.410 3.526 0 40 FHAB NC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Br)cc3)nc2c1 216922618 GXWJKZDJAUFIJB-UHFFFAOYSA-N 350.603 3.745 0 40 FHAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)[nH]1 224586424 WZBGOXUVGUPADG-RTBURBONSA-N 364.474 3.904 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)NCC1(c2ccccc2)CCOCC1 223336151 AZGZTHDOGVUCAP-LJQANCHMSA-N 371.452 3.848 0 40 FHAB COc1cc(C)c(S(=O)(=O)NCCSCc2ccccc2)cc1C 223544916 BYBKNIGPTQKEAS-UHFFFAOYSA-N 365.520 3.524 0 40 FHAB COc1ccc(CCC(=O)NCc2ccc(-n3ccnc3C)cc2)cc1C 223274410 MSLDJNHYDPZDAK-UHFFFAOYSA-N 363.461 3.747 0 40 FHAB Cc1cccc(CN(C(=O)Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)c1 225515008 NJJOKFLDTCBSEY-KRWDZBQOSA-N 370.468 3.619 0 40 FHAB CC(C)c1ccccc1O[C@@H](C)C(=O)NC[C@H]1COc2ccccc2O1 225266193 WHEGZKRODJFTPC-HOTGVXAUSA-N 355.434 3.534 0 40 FHAB Cc1ccnc(NC(=S)NCCNc2cc(C)nc3ccc(C)cc23)c1 225227532 MCILSOZVAZOSCR-UHFFFAOYSA-N 365.506 3.954 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 224311385 XVHQFIYCWMAAHD-IBGZPJMESA-N 372.896 3.826 0 40 FHAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2C)ccc1C 223798242 ZPFZCJJDUBJCIF-UHFFFAOYSA-N 353.827 3.544 0 40 FHAB COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 44933205 CQWZUCZOPYPKQP-APWZRJJASA-N 370.468 3.924 0 40 FHAB O=C(NCc1cnn2ccccc12)C1c2ccccc2Oc2ccccc21 75162794 RYWRKWKUPZXGKM-UHFFFAOYSA-N 355.397 3.888 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1C 42185143 FPIZGFVDMDMCFW-CVEARBPZSA-N 355.434 3.719 0 40 FHAB Cc1ccc(-c2noc(CN(C)C(=O)Cc3cccc(Cl)c3)n2)cc1 223053101 RQCDKVGKDGWDLZ-UHFFFAOYSA-N 355.825 3.900 0 40 FHAB Cc1ccc(-c2nnc(NC(=O)CCc3ccc4c(c3)OCO4)s2)cc1 223342047 NSPZJCIHGIATFZ-UHFFFAOYSA-N 367.430 3.814 0 40 FHAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1cnc(N2CCCC2)nc1 224248289 DXVMUJWQRCRUNK-UHFFFAOYSA-N 365.462 3.761 0 40 FHAB O=C(NCCc1ccncc1)c1ccc2onc(-c3coc(C4CC4)n3)c2c1 96154295 NGIXLFFURVGUFA-UHFFFAOYSA-N 374.400 3.728 0 40 FHAB Cc1ccc2c(c1)[C@@H](NC(=O)NC1CCN(c3nccs3)CC1)CCC2 580668932 KONIXKDMOFVDRJ-SFHVURJKSA-N 370.522 3.797 0 40 FHAB Cc1cc([C@H]2CCCCN2C(=O)CCc2cccs2)nc2ccnn12 257335402 YJZGNTRPCDTTEG-QGZVFWFLSA-N 354.479 3.786 0 40 FHAB COc1ccccc1CC(=O)Nc1ccccc1-c1cn2c(n1)SCC2 253472271 LDPBJNGZZNQNEK-UHFFFAOYSA-N 365.458 3.846 0 40 FHAB CC(C)n1nccc1-c1nccnc1[C@@H]1CCCN(C(=O)C(C)(C)C)C1 257297557 RHUUYTHIPGEMMD-OAHLLOKOSA-N 355.486 3.673 0 40 FHAB CC(C)n1c(S)nnc1C1CCN(C(=O)c2cccc3c2CCC3)CC1 109286067 OJDQYESSGFMESV-UHFFFAOYSA-N 370.522 3.656 0 40 FHAB C[C@H]1CN(C(=O)Nc2ccccc2OCCc2ccccc2)C[C@@]1(C)CO 1616044360 OMNHERACDLQOAL-JTSKRJEESA-N 368.477 3.790 0 40 FHAB Cc1cc(N(C)C)ccc1NC(=O)CCCNC(=O)OCc1ccccc1 53314192 SDHUVNYTFKOCJE-UHFFFAOYSA-N 369.465 3.706 0 40 FHAB CCCc1nc([C@@H](NC(=O)N2CCC[C@@H](C)CC2)c2ccccc2)no1 97229232 AMTHRYOGDBZZIX-QAPCUYQASA-N 356.470 3.943 0 40 FHAB CC(C)(C)OC(=O)N[C@H](CC(=O)O)Cc1cc(F)cc(C(F)(F)F)c1 1772714639 BITRVNYUZLRNPB-LBPRGKRZSA-N 365.323 3.755 0 40 FHAB O=C(N[C@H]1CCC[C]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1560406239 OZBBYMLTWPAATK-IBGZPJMESA-N 350.394 3.737 0 40 FHAB CCCCCCOc1ccc(N2C(=O)C[C@@H](NCc3ccco3)C2=O)cc1 5978102 BHMAQRJQOHDSFC-LJQANCHMSA-N 370.449 3.660 0 40 FHAB COc1cc(Cl)c(NCC(=O)NCc2ccc(Cl)cc2)cc1OC 11096635 AIPWIJKZFWABEL-UHFFFAOYSA-N 369.248 3.739 0 40 FHAB O=c1oc2ccc(Cl)cc2n1C1CCN(Cc2ccc(O)cc2)CC1 12184746 OIDYIJKIPNETHO-UHFFFAOYSA-N 358.825 3.791 0 40 FHAB O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)Nc1ccccc1 12481708 XSFAHBWXHWWUIV-SFHVURJKSA-N 371.868 3.695 0 40 FHAB O=C(Nc1ccc(CN2CCOCC2)cc1)C1(c2ccccc2)CCCC1 12857246 QOHIMFFMQKPBOO-UHFFFAOYSA-N 364.489 3.969 0 40 FHAB CCCC[C@H]1[C@H]2C(=O)N(c3cccc(C)c3)C(=O)[C@H]2ON1c1ccccc1 18194022 UKOUKZBOOUCPFU-ZCNNSNEGSA-N 364.445 3.864 0 40 FHAB Cc1cc(-c2cccs2)nc([C@@H]2CCCN(C(=O)c3ccccn3)C2)n1 19117829 HBBQNSWPZBCRIW-OAHLLOKOSA-N 364.474 3.928 0 40 FHAB O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2cc(-c3ccco3)on2)C1 19342487 ZKFBFANHRNKWEL-AWEZNQCLSA-N 368.364 3.809 0 40 FHAB COc1ccc([C@H](C)NC(=O)c2cc(-c3ccccc3OC)n[nH]2)cc1F 19458654 GJJOHFSSLMCOIF-LBPRGKRZSA-N 369.396 3.724 0 40 FHAB CCc1sc(NC(=O)[C@H](C)n2ccnc2)nc1-c1ccc(OC)cc1 19521608 OVNFFCABDSQNGN-LBPRGKRZSA-N 356.451 3.777 0 40 FHAB N#C/C(=C/c1ccccc1Cl)C(=O)N1CCN(c2ccccc2)CC1 5590917 OXJNFMFNVRBAOJ-VKAVYKQESA-N 351.837 3.596 0 40 FHAB O=C(NCC1CCN([C@H]2CCSC2)CC1)c1ccccc1C(F)(F)F 225570252 FIENIABSPJIJJQ-AWEZNQCLSA-N 372.456 3.653 0 40 FHAB Cc1csc([C@@H]2CCCCN2C(=O)C[C@H](C(=O)O)c2ccccc2)n1 634877298 KPZXBOHKMNEYCM-HOTGVXAUSA-N 358.463 3.764 0 40 FHAB O=C(NC1CCCCC1)[C@]1(Cc2cc(-c3ccccc3)no2)CCCO1 19740152 UBRKIIDAFBDNHZ-OAQYLSRUSA-N 354.450 3.882 0 40 FHAB C[C@H]1CC[C@H](C(=O)N2CCc3ncnc(-c4ccsc4)c3CC2)CC1 1565552889 BEMKRXNPAJVDFY-SHTZXODSSA-N 355.507 3.959 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc(NC(=O)C(C)(C)C)s2)c1 4077805 ZETKECFNOJLLBP-UHFFFAOYSA-N 364.496 3.562 0 40 FHAB CCc1cccc2sc(N3CCN(C(=O)c4ccccc4)CC3)nc12 5181537 RQOHTLYTJSERQT-UHFFFAOYSA-N 351.475 3.821 0 40 FHAB O=C(N1CCC1)C1(Nc2ccccc2)CCN(Cc2ccc(F)cc2)CC1 2055751437 XRTSHTVKKJLYHX-UHFFFAOYSA-N 367.468 3.505 0 40 FHAB COc1ccccc1NC(=O)N1CC[C@H](Oc2ccc3ccccc3n2)C1 225739744 QIGQAQCUJFVZTP-INIZCTEOSA-N 363.417 3.929 0 40 FHAB Cc1ccc(-c2ccc3nn(Cc4ccc(Cl)cc4)c(=O)n3n2)cc1C 49399430 LMWLULICCBXDGO-UHFFFAOYSA-N 364.836 3.877 0 40 FHAB O=C(NCCCc1ccccc1)NCC[C@H](O)c1cc2ccccc2o1 96097315 LTUJRZBGBUTZOE-SFHVURJKSA-N 352.434 3.788 0 40 FHAB COc1ccc(N2C(=O)[C@@H](Oc3ccccc3F)[C@@H]2c2cccnc2)cc1 40156593 KAMGYSISSYITNM-PMACEKPBSA-N 364.376 3.765 0 40 FHAB Cc1ccc(CN(C(C)C)S(=O)(=O)c2ccccc2Br)o1 40151504 YBHUVVLUUHLWMG-UHFFFAOYSA-N 372.284 3.950 0 40 FHAB CC(=O)N[C@@H]1C(=O)N(CCCOc2ccccc2Cl)c2c(C)cccc21 100485613 PGBCDIWGFUNDPI-SFHVURJKSA-N 372.852 3.641 0 40 FHAB Cc1cc(Cl)ccc1NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 11080723 FFXXZZLNYCYRKC-CYBMUJFWSA-N 357.841 3.824 0 40 FHAB CC(=O)Nc1cc(NCC(=O)N[C@@H](c2ccccc2)C(C)C)ccc1F 50782818 IFWHXLVZSBFQIJ-HXUWFJFHSA-N 357.429 3.710 0 40 FHAB COCCCNC(=O)[C@H](Cc1cccc(Br)c1)CC(C)C 75104050 KNDTZRHAFPERKP-HNNXBMFYSA-N 356.304 3.807 0 40 FHAB CC(=O)N(Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 1366425 JFVFAAQEKWMZQA-UHFFFAOYSA-N 352.409 3.833 0 40 FHAB Cc1nc(-c2ccc3c(c2)N(Cc2c(C)noc2C)C(=O)CO3)c(C)s1 40596687 JEMWBIUPNLEJKG-UHFFFAOYSA-N 369.446 3.957 0 40 FHAB O=C(CC(O)(C(F)(F)F)C(F)(F)F)c1ccc(Br)cc1 1614984 RTFJNWMDRKOZEM-UHFFFAOYSA-N 365.067 3.878 0 40 FHAB CCN(CC)CCn1c(NC(=O)c2ccc(F)cc2)nc2ccccc21 2843488 RRHGGMIRXYVNGO-UHFFFAOYSA-N 354.429 3.770 0 40 FHAB CC(=O)Cc1nsc(NC(=O)c2sc3ccccc3c2Cl)n1 3227426 LQNLKBNGJLCCAW-UHFFFAOYSA-N 351.840 3.790 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccc(Cl)nc1Cl)c1nnc2ccccn12 20714888 XIPQVVMLQLUCGT-CYBMUJFWSA-N 364.236 3.558 0 40 FHAB N=C1NC(=O)/C(=C\c2ccc(OCCOc3ccccc3Cl)cc2)S1 7003965 YANQIGOBZCDYHA-LFIBNONCSA-N 374.849 3.936 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1cc(C)ccc1C 7054123 KZRWDYSETUQLSK-OAHLLOKOSA-N 360.479 3.633 0 40 FHAB COc1cc(CC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)ccc1C 11683770 JNNWTPPJYDPVOV-UHFFFAOYSA-N 352.434 3.620 0 40 FHAB CCN(C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccccc1C 32753832 LVUBYNIFGDWCMP-LJQANCHMSA-N 352.434 3.779 0 40 FHAB CN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)C1CCCC1 53436532 RQVDPMBGQIZIRC-INIZCTEOSA-N 357.479 3.893 0 40 FHAB COc1ccc(-c2cc(C(=O)N3C[C@@H](C)Oc4ccccc43)no2)cc1 41155592 RHMZJMMXYQBACQ-CYBMUJFWSA-N 350.374 3.778 0 40 FHAB O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 2633039 LVDGNNPNKCSKFC-UHFFFAOYSA-N 353.399 3.853 0 40 FHAB Cc1cc(NC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)n(C)n1 52797392 RWUJLLMLIDJMHL-SFHVURJKSA-N 352.463 3.970 0 40 FHAB Cc1cc(=O)n(CC(=O)Nc2ccccc2C)c(-c2cccc(Cl)c2)n1 57526796 JVJCFJYHVFQGET-UHFFFAOYSA-N 367.836 3.819 0 40 FHAB C[C@H](NC(=O)CCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 22198027 QHKRUWRMWZPDOC-KRWDZBQOSA-N 371.912 3.730 0 40 FHAB CC(C)(C)C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2C(=S)Nc1ccccc1 100426878 UEOIRQOYPZKQQV-IRXDYDNUSA-N 359.539 3.931 0 40 FHAB Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC1CCN(C)CC1 22279231 NGOGGPBAVKNMGW-UHFFFAOYSA-N 374.488 3.672 0 40 FHAB O=C(NCc1cn2ccccc2n1)c1ccc(C2SCCS2)cc1 7943956 UWROUPJKSUVZNS-UHFFFAOYSA-N 355.488 3.743 0 40 FHAB Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cccs1 779372 YAVVSVFFBVLCEQ-UHFFFAOYSA-N 364.883 3.928 0 40 FHAB CC(C)CCC[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 7968862 UTMGWUWEMZJEPX-ZDUSSCGKSA-N 374.934 3.535 0 40 FHAB CSc1ccc([C@@H](C)NC(=O)c2cn(C)c3ccccc3c2=O)cc1 22234318 ZLEPLPNJNQVUPN-CYBMUJFWSA-N 352.459 3.751 0 40 FHAB COc1ccc(-c2nnc3sc(-c4ccc(F)cc4)nn23)cc1OC 856379 UIZDDCHPLIFISQ-UHFFFAOYSA-N 356.382 3.676 0 40 FHAB Cc1cc(C(=O)Nc2ncc(Cl)cc2Cl)c2c(C)nn(C)c2n1 27985136 IHKJHUSCWXZUPO-UHFFFAOYSA-N 350.209 3.539 0 40 FHAB COC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3cccc(C)c3)coc2c1 942497 BTHRVMFXONRUBV-CYBMUJFWSA-N 354.358 3.834 0 40 FHAB biogenic C[C@H](NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1)c1ccc(F)cc1F 47049192 PTNBNLRWPQLENX-QMMMGPOBSA-N 361.373 3.767 0 40 FHAB COc1ccc(-c2nc(COC(=O)[C@]3(C)CC3(Cl)Cl)co2)cc1 42684704 VSKRFKWBEHXUSV-HNNXBMFYSA-N 356.205 3.977 0 40 FHAB CC1=C(NC(=O)c2ccc(Cl)cc2)[C@H](c2ccc(C)cc2)NC(=O)N1 26780242 QOVYIKMQEVOKSS-KRWDZBQOSA-N 355.825 3.664 0 40 FHAB COc1ccc(CCNC(=O)/C=C/c2ccc(OC(C)C)cc2)cc1OC 1130217 OPNXTGKOAFVBHH-XYOKQWHBSA-N 369.461 3.863 0 40 FHAB biogenic Cc1ccc(-c2csc(NC(=O)c3cn(Cc4ccccc4)nn3)n2)o1 24490071 FQWXTZYQGXALOR-UHFFFAOYSA-N 365.418 3.604 0 40 FHAB Cc1ccc(CCC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1Cl 24694343 MKVAKHATCFTSLU-UHFFFAOYSA-N 351.855 3.623 0 40 FHAB Cc1[nH]ncc1-c1nn2c(-c3cc(Cl)cc(Cl)c3)nnc2s1 61718172 RHYFOBGVHPGVTD-UHFFFAOYSA-N 351.222 3.858 0 40 FHAB Nc1ccc(NC(=O)c2cccc(I)c2)c(Cl)c1 20480551 MBMWXDRHLAZXIS-UHFFFAOYSA-N 372.593 3.779 0 40 FHAB CCOc1cc(NC(=O)NC[C@@H]2CCN(C)c3ccccc32)ccc1OC 56629786 ZTXYNQGVNOZSQQ-HNNXBMFYSA-N 369.465 3.839 0 40 FHAB Nc1c2c3c(c(O)cc(Oc4ccccc4)c3[nH]c1=O)C(=O)c1ccccc1-2 35326157 QJDZDTHIQXDDIX-UHFFFAOYSA-N 370.364 3.820 0 40 FHAB O=C(N[C@H]1CCc2ccccc21)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 57416569 RBAIQYUAUYYABJ-ACJLOTCBSA-N 372.827 3.636 0 40 FHAB C[C@H](c1ccc(F)cc1)N(C)C(=O)C1CCN(C(=O)c2cccs2)CC1 26874354 LFCDBCOFTSPDAQ-CQSZACIVSA-N 374.481 3.959 0 40 FHAB Cc1ccc(C)c(OCCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 3293655 MSHVLPQSHTVXSL-UHFFFAOYSA-N 354.450 3.548 0 40 FHAB Cc1cc(=O)oc2cc(N[C@H](C(=O)NC3CC3)c3ccc(F)cc3)ccc12 10174595 FTWIZNIBMYNYJY-FQEVSTJZSA-N 366.392 3.672 0 40 FHAB Cc1nn(Cc2ccc(C(=O)NCC(C)C)cc2)c(C)c1Br 28237139 GXTYMAFNSSXMEF-UHFFFAOYSA-N 364.287 3.697 0 40 FHAB O=C(NCc1cccc(O)c1)NC1(c2ccc(Br)cc2)CC1 58214476 BZEFVNVDUSMCGN-UHFFFAOYSA-N 361.239 3.643 0 40 FHAB O=C(NC1CCN(Cc2ccncc2)CC1)c1[nH]c2ccccc2c1Cl 58209695 FELNQXGUIOJDNO-UHFFFAOYSA-N 368.868 3.611 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCc2sccc2C1 10340994 ZOYHFTJIVGOJPQ-UHFFFAOYSA-N 350.871 3.715 0 40 FHAB Cc1ncc(CN(C)C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)s1 58311095 RUQZKJKKEYZBAX-MRXNPFEDSA-N 361.467 3.673 0 40 FHAB COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1cccc(C)c1 2319942 RJHFUVWEUFGISG-UHFFFAOYSA-N 368.389 3.532 0 40 FHAB CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1F 2397103 CLJIJIFISDTYTN-UUOWRZLLSA-N 351.358 3.911 0 40 FHAB Clc1cccc(-n2ncc3c2ncn2nc(CCc4ccccc4)nc32)c1 2352734 GLKYZAOHMKWRPL-UHFFFAOYSA-N 374.835 3.902 0 40 FHAB CCOC(=O)Nc1ccc(NS(=O)(=O)c2cc(C)sc2C)cc1 48356137 VCYFUOWIKIRVCS-UHFFFAOYSA-N 354.453 3.734 0 40 FHAB CCC(CC)[C@@H](CNc1cnn(-c2ccccc2)c(=O)c1Cl)N(C)C 12811651 ITTXFHRLZBMZNT-QGZVFWFLSA-N 362.905 3.664 0 40 FHAB COC(=O)C1=C(C)N(CCc2cccs2)C(=O)N[C@H]1c1cccs1 12975964 VVJHPLYQFSJTEW-HNNXBMFYSA-N 362.476 3.566 0 40 FHAB O=C(CC1(C(=O)NCc2ccc(C(F)(F)F)cc2)CCCC1)NC1CC1 12908645 HVWBEUUSBBWHJI-UHFFFAOYSA-N 368.399 3.551 0 40 FHAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNC[C@@H]1CCN(C2CC2)C1 48711589 HSBCNOKCIULSPZ-INIZCTEOSA-N 358.917 3.716 0 40 FHAB O=c1ccc(-c2cccs2)nn1Cc1ccc(Br)cc1F 49543899 CNDQFJBXWQUHHM-UHFFFAOYSA-N 365.227 3.922 0 40 FHAB COc1ccc(-n2c(=O)[nH]c3c(c2=O)C2(CCCC2)Cc2ccccc2-3)cc1 27534203 AWQYZLHCELGDTE-UHFFFAOYSA-N 374.440 3.569 0 40 FHAB Cc1ccc(-c2nc(C(=O)N3CCN(C4CCCCC4)CC3)cs2)n1C 64676577 OFIKCFYXZBZOTR-UHFFFAOYSA-N 372.538 3.548 0 40 FHAB Cc1ccsc1/C=C/C(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 8349768 SCYOFXDWBWVSMO-XVJNWHFHSA-N 352.463 3.870 0 40 FHAB c1ccc(CN2C[C@@]3(CCN(Cc4ccsc4)C3)c3ncccc32)nc1 306132371 LGUWBIIHCZYVNQ-NRFANRHFSA-N 362.502 3.702 0 40 FHAB O=S(=O)(c1cccc(-c2csc(-c3cccnc3)n2)c1)N1CCCC1 5047412 LJYYBYBZUDLRMX-UHFFFAOYSA-N 371.487 3.657 0 40 FHAB CCN1CCN(c2ccc(NC(=S)NC3CCCCC3)c(C)c2)CC1 5262180 QWFYJHNOHJMUDT-UHFFFAOYSA-N 360.571 3.756 0 40 FHAB Cc1nnc([C@H]2Cc3ccccc3CN2CCOc2ccc(F)cc2)o1 65517654 IVYYIUQHZGNZTO-LJQANCHMSA-N 353.397 3.696 0 40 FHAB O=C(NC1CCCCC1)C1CCN(C[C@H](O)c2ccc(Cl)cc2)CC1 65523936 BFZQPAVNYZXKKG-IBGZPJMESA-N 364.917 3.534 0 40 FHAB O=C(CCNC(=O)c1ccc(F)cc1)O[C@@H]1CCCC[C@@H]1C(F)(F)F 65538142 FUQNDZDCIPCBDQ-UONOGXRCSA-N 361.335 3.610 0 40 FHAB COc1ccc(C(C)=O)cc1CC(=O)NCCSc1ccc(C)cc1 14185209 HFJYPPVOHFHUBI-UHFFFAOYSA-N 357.475 3.657 0 40 FHAB CCCCN(C(=O)c1cccc(N2C(=O)CCC2=O)c1)c1ccccc1 14198835 LLICDTDWEBGFOH-UHFFFAOYSA-N 350.418 3.787 0 40 FHAB Cc1ccc(C)c(OC[C@@H](O)CSc2nnc(C)n2-c2ccccc2)c1 8710881 QSTJAJXWLMSXCV-GOSISDBHSA-N 369.490 3.725 0 40 FHAB COCCn1cc(C(=O)Nc2cccc(Br)n2)c2ccccc21 65611628 GTDXXIJSUBGTAK-UHFFFAOYSA-N 374.238 3.698 0 40 FHAB Cc1ccc(NC(=O)[C@@H](Sc2nnc(C)n2C)c2ccccc2)cc1 6510704 PJKBPJWSDXESPN-KRWDZBQOSA-N 352.463 3.904 0 40 FHAB Cc1cccc(NC(=O)[C@H](C)OC(=O)c2ccc3nc(C)c(C)nc3c2)c1 5507257 IAHSBEKFEIKPHM-HNNXBMFYSA-N 363.417 3.739 0 40 FHAB C[C@@H](OC(=O)c1cnc(Cl)c(Cl)c1)C(=O)NCCC1=CCCCC1 6643184 LVOUFCYXJNEBCX-LLVKDONJSA-N 371.264 3.940 0 40 FHAB Cc1cc(C)cc(-c2nnc(SCC(=O)N3C[C@@H](C)C[C@@H](C)C3)o2)c1 18057420 SZQPVGLNGVAELV-GASCZTMLSA-N 359.495 3.950 0 40 FHAB O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccc(F)cc1 18029657 KWZMUARYMDQORF-UHFFFAOYSA-N 374.462 3.978 0 40 FHAB Cc1ccc(-c2nnc([C@@H](C)Sc3nc4nc(C)cc(C)n4n3)o2)cc1 7083070 ATKTZGUOUAMRLL-CYBMUJFWSA-N 366.450 3.953 0 40 FHAB COc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cccs2)cc1 7217265 ZILPCNHQRBOFFU-UHFFFAOYSA-N 363.460 3.741 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)NCC2(N3CCCCC3)CCCCC2)c1C 9607232 XURCYKCPNOAZQK-UHFFFAOYSA-N 359.514 3.753 0 40 FHAB CCc1ccc(OCC(=O)Nc2nonc2-c2ccc(Cl)cc2)cc1 8915678 MBCPSLDPPMLDJA-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB CC(C)Oc1ccccc1CNC(=O)C(=O)NCc1ccc(C(C)C)cc1 408707843 RJVPAQLMNFPYGP-UHFFFAOYSA-N 368.477 3.530 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(CN2CCOCC2)c1 20452211 NUSDOHUVFPYRFZ-UHFFFAOYSA-N 364.367 3.790 0 40 FHAB O=C(NCC(c1ccccc1)c1ccccc1)c1ccc(-n2cncn2)cc1 9883543 LGBGCWWUUWMQAY-UHFFFAOYSA-N 368.440 3.829 0 40 FHAB CC(=O)c1ccc(N2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1 9884944 MDBZHZVNJRSKGX-UHFFFAOYSA-N 366.490 3.837 0 40 FHAB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OC)cc2OC)C1=O 409009607 GUOIYDSOWPHFGW-XBLUXWHVSA-N 351.424 3.547 0 40 FHAB CC(C)c1nnc(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)n1C1CC1 9478922 KNUFBRFHCGHSFK-LLVKDONJSA-N 355.467 3.826 0 40 FHAB Cc1nn(-c2ccccc2)c2nc3c(cc12)C(=O)N[C@@H](c1cccs1)N3 19897364 YBGJXYKBNXRRNJ-KRWDZBQOSA-N 361.430 3.645 0 40 FHAB Cc1nc(C(=O)N2CCC[C@H]2c2ccccc2)nn1-c1ccc(F)cc1 84280523 JCHPCDZFVQDGMP-SFHVURJKSA-N 350.397 3.692 0 40 FHAB CC(C)c1nc2cc(NC(=O)C[C@H]3NC(=O)c4ccccc43)ccc2n1C 72403842 JIIMZQZJNUMXJQ-MRXNPFEDSA-N 362.433 3.510 0 40 FHAB C[C@]1(c2cccc3ccccc23)NC(=O)N(Cc2ccc(Cl)nc2)C1=O 97335995 VEZSRLZPVCMGJW-HXUWFJFHSA-N 365.820 3.855 0 40 FHAB O=C(OCC(=O)N1CCC[C@@H]1c1ccsc1)c1nccc2ccccc12 84598740 IPZVGKCWNKSYPM-QGZVFWFLSA-N 366.442 3.817 0 40 FHAB Cc1nn(C)c(C)c1CNC(=O)Cc1csc(-c2ccccc2Cl)n1 95474172 UAXANYVRTPAHME-UHFFFAOYSA-N 374.897 3.673 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1cnn(Cc2cccc(F)c2)c1 28220429 BAUYFTMQLVORML-UHFFFAOYSA-N 359.788 3.985 0 40 FHAB COC(=O)[C@H](Sc1nncn1-c1ccccc1)c1ccccc1Cl 73695824 BVLULPZSBAOKQZ-OAHLLOKOSA-N 359.838 3.927 0 40 FHAB O=C1c2cccc3cccc(c23)N1CN1CCN(Cc2ccsc2)CC1 95958430 OVFHBBBXYMVMDN-UHFFFAOYSA-N 363.486 3.637 0 40 FHAB Cc1c(C(=O)N[C@@H]2CCCCC[C@H]2CO)cnn1-c1ccccc1Cl 89545011 NGPSJEDNLKXWLH-WMLDXEAASA-N 361.873 3.505 0 40 FHAB C[C@@H](NC(=O)Cc1cn2ccsc2n1)c1ccccc1Br 23526115 KENMOCFSTPROKT-SNVBAGLBSA-N 364.268 3.578 0 40 FHAB O=S(=O)(c1ccc(Cl)cc1)N1CCN=C1Sc1ccccc1F 20436040 KJLQPNCFIPHFSO-UHFFFAOYSA-N 370.858 3.632 0 40 FHAB O=C1NC(=O)c2c(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)cccc21 35586294 BXSMSAJUVSPBBW-UHFFFAOYSA-N 368.820 3.674 0 40 FHAB Cc1ccc(CN(CCCn2ccnc2)Cc2cc3c(cc2C)OCO3)o1 36740284 ZCMSWWYIQISJNL-UHFFFAOYSA-N 367.449 3.914 0 40 FHAB Cc1cc(Oc2ccccc2F)nc([C@@H]2CCCN2Cc2nccn2C)n1 72384190 LNUGVBUXFFNLFR-INIZCTEOSA-N 367.428 3.787 0 40 FHAB O=C(O)CCN(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 70915487 WLUVWGKXPUFKNC-UHFFFAOYSA-N 351.402 3.875 0 40 FHAB COc1cccc2sc(N3CC(C(=O)Nc4ccccc4F)C3)nc12 75172307 MLPTULKAYVYEIZ-UHFFFAOYSA-N 357.410 3.519 0 40 FHAB COc1ccc(-c2nnc3sc(-c4cc(F)c(F)c(F)c4)nn23)cc1 36358979 ORRHRGGFICITPC-UHFFFAOYSA-N 362.336 3.946 0 40 FHAB CC[C@H](NC(=O)COc1cc(OC)cc(OC)c1)c1ccc(C)c(C)c1 218898689 VFFMZCVQYCKLKB-FQEVSTJZSA-N 357.450 3.967 0 40 FHAB CCc1ccc(-c2nc(C)c(C(=O)N3CCC(C(=O)OC)CC3)s2)cc1 40009458 DAZLGQMYFLYXKG-UHFFFAOYSA-N 372.490 3.706 0 40 FHAB COc1ccc(C(=O)NCc2cccc(CN3CCCCC3)c2)cc1C 224699414 XHOPNVMOVVTGAE-UHFFFAOYSA-N 352.478 3.920 0 40 FHAB S=C(NCc1cccnc1)Nc1ccc(Br)c(Cl)c1 225331559 FLUIXFQZSWHCHH-UHFFFAOYSA-N 356.676 3.984 0 40 FHAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 222860090 QRWRVJYRODDTMA-RBUKOAKNSA-N 363.490 3.650 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1 224873794 IEQIVLPOBFEJMD-QGZVFWFLSA-N 370.468 3.620 0 40 FHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCOc1ccc(C)c(C)c1 224158673 LWPPKFVSLAFFKQ-HXUWFJFHSA-N 357.450 3.665 0 40 FHAB CC(C)c1ccc(C[C@@H](C(=O)O)N2CCN(c3ccccc3)CC2)cc1 225143068 YMWOLLJHGCWNFV-NRFANRHFSA-N 352.478 3.628 0 40 FHAB COC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2C)ccc1Cl 223828256 GBLHNYQJTLEEOW-UHFFFAOYSA-N 374.245 3.889 0 40 FHAB COc1cccc(O[C@@H](Cc2cccc(Br)c2)C(=O)O)c1 225063767 MBPACOUNLAPPEX-HNNXBMFYSA-N 351.196 3.532 0 40 FHAB O=C(Nc1cccnc1C(F)(F)F)c1cccc(OCC(F)(F)F)n1 577420900 JJKHICHIQFBXNQ-UHFFFAOYSA-N 365.233 3.689 0 40 FHAB Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4cc(C)oc4C)C3)C2)n1 96216204 DXCBLYVVOFCGSC-JOCHJYFZSA-N 367.493 3.728 0 40 FHAB Cc1ccc(CN2CCOC[C@]3(CCN(Cc4cccs4)C3)C2)s1 96062396 ULTZJBZJPLZPAG-IBGZPJMESA-N 362.564 3.843 0 40 FHAB Fc1ccc(F)c(CN2CCC[C@H](Cc3cncc(-c4ncc[nH]4)n3)C2)c1 257212935 CFMOVGUOYCPGNB-CQSZACIVSA-N 369.419 3.600 0 40 FHAB O=C(NC[C@@H](c1ccco1)N1CCSCC1)Nc1ccccc1Cl 253400584 LKAGZUZDFYUXAW-HNNXBMFYSA-N 365.886 3.845 0 40 FHAB Cc1nc(-c2ncc[nH]2)cc(C2CCN(Cc3sccc3C)CC2)n1 257255761 KISQKLPJOHLZFW-UHFFFAOYSA-N 353.495 3.925 0 40 FHAB O=C(c1cccnn1)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257252320 JUJIMMBWDSBWQG-KRWDZBQOSA-N 368.824 3.686 0 40 FHAB O=C(C1CCC1)N1CC[C@H](c2ccnc3ncc(-c4ccc(F)cc4)n23)C1 257278827 ODVHIBOIUPWLBM-INIZCTEOSA-N 364.424 3.651 0 40 FHAB Cc1nnsc1CNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 644825800 LQTOXSHBKVPVRX-UHFFFAOYSA-N 356.278 3.891 0 40 FHAB C[C@@H]1CN(C(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)C[C@]1(C)CO 666773399 IDFLSRFTWDEGEC-RIEGTJTDSA-N 364.795 3.603 0 40 FHAB CCn1ncc2cc(C(=O)N3c4ccccc4N(C)CC[C@@H]3C)c(C)nc21 685041247 IVVCQCSNHAOANO-AWEZNQCLSA-N 363.465 3.635 0 40 FHAB O=C1C[C@@]2(CCN(C(=O)/C=C/c3ccccc3Cl)C2)Oc2ccccc21 96367345 VWWVNDUGHKRXSK-LCCNJJIFSA-N 367.832 3.990 0 40 FHAB CCN1C(=O)CC[C@@H](C(=O)NCc2ccccc2Cl)[C@@H]1c1ccccc1 585168413 KUUPMFKKFNDTHA-XLIONFOSSA-N 370.880 3.956 0 40 FHAB O=C1CSc2ccc(C(=O)N3CCCc4cc(F)c(F)cc43)cc2N1 46222663 OJEMSQLBSSNJGE-UHFFFAOYSA-N 360.385 3.602 0 40 FHAB COCCOc1cccc(/C=C2\CCc3oc(C(=O)O)c(C)c3C2=O)c1 66407793 QFVORYLEZMPMMQ-GXDHUFHOSA-N 356.374 3.524 0 40 FHAB Cc1ccc(-c2csc(S(=O)(=O)Cc3csc(C)n3)n2)cc1 67741147 DEYUUNMHRVEXLD-UHFFFAOYSA-N 350.490 3.857 0 40 FHAB Cc1nc2cccc(NC(=O)CCCc3nc(-c4ccccc4)no3)c2[nH]1 12147421 OOHWPPJEAXXXSF-UHFFFAOYSA-N 361.405 3.883 0 40 FHAB CCn1c(C)cc2cc(NC(=O)c3noc(C)c3Cn3cccn3)ccc21 12148381 MUTLEESUPAEOSG-UHFFFAOYSA-N 363.421 3.763 0 40 FHAB NC(=O)Nc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 13115477 DBCNIWRKRVEHSE-UHFFFAOYSA-N 357.211 3.792 0 40 FHAB CCCCC(=O)Nc1cc(OCC)c(NC(=S)NC)cc1OCC 13545210 MWUIMBMCANNBGA-UHFFFAOYSA-N 353.488 3.529 0 40 FHAB CCc1c(C)nn(-c2nc3ccccc3[nH]2)c1OC(=O)c1cccs1 13611069 AWGFHKJIGMJVTG-UHFFFAOYSA-N 352.419 3.900 0 40 FHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3[C@@H]3CCSC3)cc2n1 19116825 YSBXKGHIUSIMLB-YPMHNXCESA-N 356.417 3.699 0 40 FHAB c1ccc2c(c1)ncn2CN1CCN(C23CC4CC(CC(C4)C2)C3)CC1 19314221 YXFJNTCFNAAVPY-UHFFFAOYSA-N 350.510 3.580 0 40 FHAB CC[C@H](O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1[S@]2=O 504009038 VGGVFHIGFNOLIM-AVRWGWEMSA-N 358.507 3.700 0 40 FHAB in-vitro COc1cc(CN[C@@H](C)[C@H]2CCCO2)ccc1OCc1c(C)noc1C 30908430 GIKJWFLRUICSBJ-KBXCAEBGSA-N 360.454 3.536 0 40 FHAB COc1cccc(-n2cnnc2SCc2nnc(-c3ccccc3)o2)c1 4843620 NPQLBVDAOCDMPB-UHFFFAOYSA-N 365.418 3.618 0 40 FHAB CCOc1ccccc1N1CCN(C(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)CC1 24713781 VYKYBNCGQFRFLD-PXNSSMCTSA-N 356.510 3.972 0 40 FHAB COc1ccc(-n2nnc3c(SCc4cccc(F)c4)ncnc32)cc1 4166768 GVSSVKDBXIEUDS-UHFFFAOYSA-N 367.409 3.651 0 40 FHAB COc1ccc(C(=O)N2CCN=C2SCc2cccc(C)c2)c(OC)c1 4120190 SSTCZSHXWBLEAL-UHFFFAOYSA-N 370.474 3.757 0 40 FHAB O=C(Nc1cc(F)ccc1F)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4374343 AFJHSXVUABXGGB-LBPRGKRZSA-N 365.767 3.545 0 40 FHAB Cc1ccc(C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1 4939882 MFPKYXVYMLGWLI-UHFFFAOYSA-N 374.444 3.541 0 40 FHAB O=C(Nc1ccc(CC(=O)N2CCCC2)cc1)c1ccc(F)cc1Cl 13714152 CUIZOWMMBWCRRQ-UHFFFAOYSA-N 360.816 3.896 0 40 FHAB O=C(NCCC1=CCCCC1)C(=O)NCc1cc(-c2ccoc2)cs1 1775969872 PQETZIFSQKVTRT-UHFFFAOYSA-N 358.463 3.631 0 40 FHAB Cc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCC[C@H](C)C2)cc1 35238027 XARUODAQLZYQDO-XJKSGUPXSA-N 356.495 3.935 0 40 FHAB O=C(NCc1cccc2ccccc12)NC[C@@]1(O)CCc2ccccc2C1 85560615 QFGQYGJRLIBFJR-HSZRJFAPSA-N 360.457 3.559 0 40 FHAB CCCc1nc(C)sc1C(=O)NCCc1c[nH]c2ccc(OC)cc12 96115742 XSTGATPFLYOPDI-UHFFFAOYSA-N 357.479 3.866 0 40 FHAB biogenic O=C(NCCOc1ccc(F)cc1)c1cnn(-c2ccccc2)c1C1CC1 30129430 OZXXYKWFWPGPTJ-UHFFFAOYSA-N 365.408 3.698 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C)cc1C 30870145 WXKRHAZUNLPRCV-UHFFFAOYSA-N 366.396 3.839 0 40 FHAB CC(C)n1ncc2cc(C(=O)NCc3nc4ccccc4s3)cnc21 30972905 DECFOPCLCKFJEL-UHFFFAOYSA-N 351.435 3.552 0 40 FHAB NC(=O)c1ccc(CN(C(=O)c2cccc(Cl)c2Cl)C2CC2)cc1 31175431 MIGLFDASYXERNR-UHFFFAOYSA-N 363.244 3.897 0 40 FHAB COc1ccc(CNCC(O)(c2ccc(F)cc2)c2ccc(F)cc2)cc1 20365916 PKZQFLCZCZSTSG-UHFFFAOYSA-N 369.411 3.999 0 40 FHAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3F)o2)cc1 2404662 RGVDLGGUCSWXLH-UHFFFAOYSA-N 373.409 3.539 0 40 FHAB CC(C)COC[C@H](O)CNc1ncnc2sc(-c3ccccc3)cc12 59121450 ZFTSYFASJVFPQB-OAHLLOKOSA-N 357.479 3.804 0 40 FHAB Cc1nn(C)c(C)c1CC(=O)Nc1ccc(-n2cnc3ccccc32)cc1 11274117 IFNIKPCHTJUBAL-UHFFFAOYSA-N 359.433 3.557 0 40 FHAB COc1ccccc1OCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 959325 VWNYLJHONNROEE-UHFFFAOYSA-N 358.394 3.975 0 40 FHAB O=C(CSCc1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1 2954320 HZITZKDYVZAMLH-UHFFFAOYSA-N 362.445 3.547 0 40 FHAB COC(=O)c1cnc(NC(=O)CCc2cccc(Cl)c2Cl)s1 31713017 JAHLBABTJRBYGY-UHFFFAOYSA-N 359.234 3.808 0 40 FHAB O=C(Nc1ccccc1)C1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 7073350 FWGWFZIQFOCPJX-UHFFFAOYSA-N 374.843 3.899 0 40 FHAB CC(C)(Br)C(=O)NCCC(=O)Nc1ccc(C(C)(C)C)cc1 8733164 GRBRCUMTIYBXHI-UHFFFAOYSA-N 369.303 3.602 0 40 FHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 10112364 INHOOADMYYXWLE-UHFFFAOYSA-N 353.827 3.626 0 40 FHAB O=C(COc1ccc(Cl)cc1Br)NOCc1ccccc1 8096854 NWYJUZPOKQXJTO-UHFFFAOYSA-N 370.630 3.729 0 40 FHAB Cc1ccccc1CSCC(=O)N1CCN(Cc2ccccc2)CC1 8571112 DVHREPLYHICAHS-UHFFFAOYSA-N 354.519 3.573 0 40 FHAB O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1nncs1 21216126 LCWKYVNOKBCKPG-UHFFFAOYSA-N 370.381 3.862 0 40 FHAB Clc1n[nH]c2c(CN(Cc3ccccc3)C[C@@H]3CCCO3)cncc12 57811024 SVOGFUOETIBZJE-INIZCTEOSA-N 356.857 3.793 0 40 FHAB CCOc1cccc(NC(=O)c2ccccc2I)c1 9816370 ONTCOQZTPZHGSQ-UHFFFAOYSA-N 367.186 3.942 0 40 FHAB COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(F)c(Cl)c1 51354066 LJSUDZYMADABSX-UHFFFAOYSA-N 351.761 3.592 0 40 FHAB CC(C)Oc1c(I)cc(Br)cc1C=O 684591 MODQYKKVUITENR-UHFFFAOYSA-N 368.996 3.653 0 40 FHAB CC[C@@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc2c(c1)CCCC2 170570638 DLIMRQAVXBVDMA-WIYYLYMNSA-N 351.446 3.973 0 40 FHAB O=C(Nc1cccnc1Oc1ccccc1)[C@@H]1CC(=O)N(C2CCCC2)C1 41865369 AGTLTHAHAGWZGO-OAHLLOKOSA-N 365.433 3.604 0 40 FHAB CC[C@@H](C(=O)N(C)Cc1ccc(OC)c(OC)c1OC)c1ccccc1 22688890 HEUDJIQLRVSPHL-QGZVFWFLSA-N 357.450 3.865 0 40 FHAB COc1ccc(-c2nc(C)c(C(=O)Nc3ccncc3)s2)cc1OC 12321988 ZWIAYSGCLKXHMC-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB O=C(Nc1nccs1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 24751490 LOAFJSHQDARZNP-UHFFFAOYSA-N 353.382 3.511 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)c1 20143283 XSTLNGMEZMQKKK-UHFFFAOYSA-N 370.188 3.961 0 40 FHAB O=C(NC1CCCCCCC1)c1ccc(Oc2ccc3nncn3n2)cc1 61720814 JVJJEYCFFFLBFH-UHFFFAOYSA-N 365.437 3.759 0 40 FHAB COCCn1c(C)cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c1C 106685773 AXHWJTBZKYYPPS-PDGQHHTCSA-N 370.474 3.988 0 40 FHAB O=C(Nc1ccc(F)cc1F)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 21450118 MZIBFEWPWJOGIY-JTQLQIEISA-N 350.752 3.610 0 40 FHAB Cc1ccc(CN(C)C(=O)CC[C@H]2Cc3ccccc3NC2=O)c(C)c1 12553097 NQDDQDZYPXFFEB-SFHVURJKSA-N 350.462 3.853 0 40 FHAB Cc1cc(CN(C)C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)no1 57662826 AMBPYAOTAPNBRR-MRXNPFEDSA-N 365.380 3.803 0 40 FHAB CCc1nc2cc(NC(=O)c3nc(N4CCCC4)ncc3Cl)ccc2o1 57986709 PPSYTZJEIRWCJE-UHFFFAOYSA-N 371.828 3.686 0 40 FHAB Cn1ccc(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)cc1=O 44610917 UTDDPPCBBNGAMH-OAQYLSRUSA-N 358.397 3.651 0 40 FHAB COc1ccc(CNC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc1 27969736 HPHOBRXROFBQME-UHFFFAOYSA-N 355.825 3.523 0 40 FHAB O=C(C[C@H]1C=CCC1)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1 44751809 TXRYGDDFXDAPDS-AWEZNQCLSA-N 369.852 3.960 0 40 FHAB COC(=O)C[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118929056 AHQOETYKJDAWOY-BSMDRJKDSA-N 362.510 3.604 0 40 FHAB COc1ccc(C(=O)Nc2ncc(Cc3ccccc3F)s2)c(O)c1 58380404 CIROAXYDQJYFNV-UHFFFAOYSA-N 358.394 3.840 0 40 FHAB CN1CCN(c2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc23)CC1 27985445 UHGYUKKJYDQXQE-UHFFFAOYSA-N 371.444 3.704 0 40 FHAB COCCCNC(=O)c1ccccc1-c1nc(-c2ccccc2Cl)no1 2202378 LNVCYDGLZOKYMI-UHFFFAOYSA-N 371.824 3.823 0 40 FHAB COc1ccc(CN(C)CC(=O)Nc2ccc(Cl)cc2F)c(OC)c1 3335523 WJJWLXZBWIKJJR-UHFFFAOYSA-N 366.820 3.567 0 40 FHAB O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H]1CCc2ccccc21 12775361 QVRMKKUXSRUBDQ-YOEHRIQHSA-N 372.877 3.947 0 40 FHAB COc1ccc(NC(=O)CCCNC(=O)c2cccs2)cc1Cl 12798990 RTQCWBHDKOFPOP-UHFFFAOYSA-N 352.843 3.559 0 40 FHAB COc1ccccc1C(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1 48341377 NQEKSRKPSGOIEA-UHFFFAOYSA-N 365.364 3.734 0 40 FHAB CN(C)C(=O)[C@H]1CCCN1Cc1cn(-c2ccccc2)nc1-c1ccccc1 12815534 FVADNLKMBSCAFL-OAQYLSRUSA-N 374.488 3.592 0 40 FHAB CCc1ccc([C@@](O)(CC)[C@@H](CN2CCOCC2)c2ccccc2)cc1 20440944 YLDGIIMMCYOGNH-GOTSBHOMSA-N 353.506 3.963 0 40 FHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)Cc1ccc(Cl)c(Cl)c1 12902246 ORDWDJWCPGGZHX-UHFFFAOYSA-N 366.244 3.966 0 40 FHAB O=C(Nc1ccccc1O)C1CCN(CCCOc2ccc(F)cc2)CC1 12934874 QLXSWOSDYAQQTG-UHFFFAOYSA-N 372.440 3.651 0 40 FHAB CC(=O)Nc1ccc(OCC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 8501862 ZYMLXXFYTRAWGO-CYBMUJFWSA-N 352.390 3.647 0 40 FHAB O=C(Nc1cccc(Cl)c1)N1CCCN(CCc2ccncc2)CC1 13718430 DEJRKIOELRDJNX-UHFFFAOYSA-N 358.873 3.517 0 40 FHAB CCOc1cc(CN[C@@H](C)CC)ccc1Oc1nnnn1-c1ccccc1 13717722 QVEWZGYKZJPEJJ-HNNXBMFYSA-N 367.453 3.741 0 40 FHAB CCOc1ccccc1-c1nnc2n1N=C(c1ccc(OC)cc1)CS2 13828731 WRAIHWIAMDBCGE-UHFFFAOYSA-N 366.446 3.711 0 40 FHAB O=C(COC(=O)c1cccc(-n2cccc2)c1)Nc1c(F)cccc1F 5279332 UIJWAIUSUDTISO-UHFFFAOYSA-N 356.328 3.551 0 40 FHAB Cc1ccc(-c2nnc(S[C@H](C)C(N)=O)n2-c2ccc(Cl)cc2)cc1 5262762 FOVJVACSULSRHS-GFCCVEGCSA-N 372.881 3.862 0 40 FHAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1N 20344977 GRSKNTJMYJYYDB-SECBINFHSA-N 355.221 3.990 0 40 FHAB O=c1c2ccccc2nc(SCc2ccc(Cl)cc2)n1CCCO 6366404 KWUBQPHZUVHVTM-UHFFFAOYSA-N 360.866 3.725 0 40 FHAB C[C@@H](NS(=O)(=O)c1cccc2nonc12)c1ccc(C(C)(C)C)cc1 14251743 SPLOJVUKROXYRH-GFCCVEGCSA-N 359.451 3.560 0 40 FHAB COC(=O)c1c(N)c(-c2nc3ccccc3s2)nn1-c1ccc(F)cc1 6650362 VKDNGVMVRUGVNN-UHFFFAOYSA-N 368.393 3.657 0 40 FHAB CCc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)CN(C)CC3 6737142 RFYXRAOXZAVSFU-UHFFFAOYSA-N 366.490 3.681 0 40 FHAB COc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cc1O 6848657 OSVZYYJKZVTTLJ-UHFFFAOYSA-N 353.418 3.881 0 40 FHAB Cc1ccc(CN(C)C(=O)Cc2ccc(OCc3c(C)noc3C)cc2)o1 5824437 DTZMFJGWWCVIRY-UHFFFAOYSA-N 368.433 3.973 0 40 FHAB CCOc1cc(C(=O)O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 6960799 YQVBPBGLGIRGKY-UHFFFAOYSA-N 363.797 3.763 0 40 FHAB CCOc1ccccc1[C@@H]1SCC(=O)Nc2c1c(O)nn2C1CCCC1 5967688 ZGECIOBJMNIHPN-KRWDZBQOSA-N 373.478 3.877 0 40 FHAB O=C(Oc1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)c1ccccc1F 18243836 NAIALCSIEOXFHA-HOTGVXAUSA-N 365.360 3.501 0 40 FHAB Cc1ccc(-c2csc(NC(=O)Cc3ccc4c(c3)OCCO4)n2)o1 7007544 TUFGIMPRMMEIJZ-UHFFFAOYSA-N 356.403 3.664 0 40 FHAB CC(C)[C@@H](NC(=O)C1=Cc2ccccc2OC1)c1ccc2c(c1)OCCO2 15817611 SOUGMRZTGSVTAK-OAQYLSRUSA-N 365.429 3.747 0 40 FHAB COc1ccc(-c2nnc(SCCC(=O)Nc3ccccc3)[nH]2)cc1 9328014 DXNVMTABXKAHOP-UHFFFAOYSA-N 354.435 3.601 0 40 FHAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1F 9368639 RLTTXYKYFLBMJH-AUUYWEPGSA-N 356.397 3.580 0 40 FHAB O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1nc2ccc(F)cc2s1 9363880 MQTDVQKRTJILGC-CQSZACIVSA-N 373.434 3.877 0 40 FHAB COc1cc(C)ccc1OCC(=O)NCc1ccc(-c2csc(C)n2)o1 9454842 QGYCYERTTVPSSW-UHFFFAOYSA-N 372.446 3.724 0 40 FHAB O=C1CC2(CCCCC2)C(=O)N1Cc1nc(-c2ccccc2Cl)no1 9549152 CPSLZWZTSNAOBN-UHFFFAOYSA-N 359.813 3.599 0 40 FHAB C[C@H](CSc1ccccc1)C(=O)NCc1ccc(OCCN(C)C)cc1 97001802 HAOCCCLFVQBSKZ-QGZVFWFLSA-N 372.534 3.672 0 40 FHAB FC(F)(F)c1ccc([C@H]2CCCC[C@H]2Nc2ccc3nnnn3n2)cc1 72310226 KZPGUSVUJKSBJT-ZIAGYGMSSA-N 362.359 3.676 0 40 FHAB CN(CCOc1ccc(Cl)cc1)C(=O)Nc1ccccc1[S@@](C)=O 76094318 YWXQCQWPYSRZOP-DEOSSOPVSA-N 366.870 3.620 0 40 FHAB O=C(NCCCOCC1CCOCC1)c1ccc2[nH]c3c(c2c1)CCCC3 77043313 TZWNNPJXIYNTCX-UHFFFAOYSA-N 370.493 3.610 0 40 FHAB CCN(CC)CCNCc1ccc(OCc2ccccc2F)c(OC)c1 22075288 WDKHZQJBDNYBKM-UHFFFAOYSA-N 360.473 3.845 0 40 FHAB CC[C@H](C)n1ncc(C(=O)NCc2ccc(OC)c(OC)c2)c1C1CC1 89583924 ULJHOOLHPJXBGF-ZDUSSCGKSA-N 357.454 3.679 0 40 FHAB Cc1cccc(Cn2nc(C)c(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)c2C)c1 32610091 IPEWDSDCMXYPAP-ROUUACIJSA-N 369.465 3.686 0 40 FHAB CC(C)(O)C1CN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)C1 548065762 SPHCJQZIEPZWKL-UHFFFAOYSA-N 358.488 3.868 0 40 FHAB COc1cc(/C=C/C(=O)N2CCSc3ccccc32)cc2c1OCCO2 32722069 JDTWGXFGRJEFQU-VOTSOKGWSA-N 369.442 3.619 0 40 FHAB COc1ccc(Oc2cc(C)nc([C@@H]3CCN(C(=O)C(C)C)C3)n2)cc1 72383690 OASVGTBHYKTSJG-OAHLLOKOSA-N 355.438 3.558 0 40 FHAB COc1ccccc1Oc1ccc(NC(=O)c2ccc3c(c2)OCO3)cn1 75296977 GJYREEHXXQUDEU-UHFFFAOYSA-N 364.357 3.864 0 40 FHAB Cc1ccc2nc(N3CCOCC3)c(/C=C3/SC(=S)N=C3O)cc2c1 33333444 KNHVMPRMOMHWFP-XNTDXEJSSA-N 371.487 3.709 0 40 FHAB CCCCN1CCC(C[C@@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)O)CC1 72389735 VFZBPIHQWHNVLI-SFHVURJKSA-N 358.482 3.845 0 40 FHAB Fc1cccc(CN2CCC[C@@H](c3nnc(-c4ccccn4)o3)C2)c1F 72390045 LDDJYZZAPUDSRZ-CQSZACIVSA-N 356.376 3.789 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OC(C)C)cc1 223200530 RRKYJXRLVVSFNF-UHFFFAOYSA-N 355.843 3.937 0 40 FHAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 222815170 GOSAOZXKNFDHQS-RBUKOAKNSA-N 363.490 3.648 0 40 FHAB CCOc1ccc(-c2nc(COc3ccc(F)cc3)n[nH]2)cc1OCC 85385109 NRPMZTZWPJGBGR-UHFFFAOYSA-N 357.385 3.987 0 40 FHAB Cc1cc(N(C)S(=O)(=O)c2ccc(F)cc2)ccc1Br 224914751 WGCCJFFYQUJACH-UHFFFAOYSA-N 358.232 3.722 0 40 FHAB CC[C@H](Oc1ccccc1OC)C(=O)NCCOc1cccc(C)c1C 223949620 FFKAKBSUKGVNKX-KRWDZBQOSA-N 357.450 3.665 0 40 FHAB C[C@H](Oc1cccc2ccccc12)C(=O)NC[C@H]1COc2ccccc2O1 225261849 FDVROUHYXXWSMQ-RDJZCZTQSA-N 363.413 3.563 0 40 FHAB COc1ccc(S(=O)(=O)N(C)c2ccc(Br)cc2)cc1C 224636574 JWSRGMMMRPJDSG-UHFFFAOYSA-N 370.268 3.591 0 40 FHAB CC[C@H](C(=O)Nc1ccc(C)cc1C)N(c1cccc(C)c1)S(C)(=O)=O 220493576 VKIMTHONKIKIHN-LJQANCHMSA-N 374.506 3.795 0 40 FHAB COc1ccc(CCCNC(=O)COc2cccc3c2CCCC3)cc1 223311557 OHYNKEBABTVTRL-UHFFFAOYSA-N 353.462 3.702 0 40 FHAB Cc1cccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 225498222 HANAIPRUPGZPRB-IBGZPJMESA-N 366.505 3.870 0 40 FHAB CN(Cc1nc(-c2ccccc2)no1)C(=O)CCc1ccccc1Cl 220020979 UCFVUJMSRNLTKW-UHFFFAOYSA-N 355.825 3.981 0 40 FHAB c1coc(CN2CCC3(CC2)C[C@H](N[C@H]2CCOC2)c2ccccc2O3)c1 96079857 FNQIRBRMTNLLTF-PXNSSMCTSA-N 368.477 3.517 0 40 FHAB Cc1cccc(N2CC[C@@]3(CN(C(=O)NC(C)C)CCC3(F)F)C2)c1 96239551 GWXWHACUGLWDCE-SFHVURJKSA-N 351.441 3.651 0 40 FHAB C[C@@H](C(=O)N(C)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1 533481331 WZIAOTJXGYQDCB-INIZCTEOSA-N 360.461 3.704 0 40 FHAB COc1ccc2occ(C(=O)N3CCN[C@H](c4ccccc4Cl)C3)c2c1 585080097 FYBMMYQXZLNZMC-SFHVURJKSA-N 370.836 3.882 0 40 FHAB O=C(O)CN(Cc1cccc(F)c1)C1CCN(c2ccccc2F)CC1 257225783 FHUMCUNAYZQPKB-UHFFFAOYSA-N 360.404 3.520 0 40 FHAB O=C(O)c1ccc(=O)n(C[C@H](c2ccc(Cl)cc2)N2CCCCCC2)c1 257305633 SQVPAQICHPAASG-GOSISDBHSA-N 374.868 3.817 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)c(CN(C)C)c1 607651198 HCZHGOINNWNJJM-PGRDOPGGSA-N 350.462 3.736 0 40 FHAB CC(C)c1nccn1CC1CCN(C(=O)c2cc(-c3ccco3)on2)CC1 62017620 HGFGQXZNPNSOMT-UHFFFAOYSA-N 368.437 3.807 0 40 FHAB CC[C@H]1c2ccsc2CCN1C(=O)CNC(=O)OCc1ccccc1 65518258 XQFVUQYCKHSEDI-INIZCTEOSA-N 358.463 3.510 0 40 FHAB O=C1C[C@@H]2CCN(CCC(F)(F)F)C[C@@H]2CCOc2ccccc2N1 1534646211 DQTWIZFPNAMIBH-KBPBESRZSA-N 356.388 3.688 0 40 FHAB OC1(c2ccc(F)cc2)CCN(Cc2cc(Cl)c3c(c2)OCO3)CC1 12240684 OYLQRQXQRBEFJP-UHFFFAOYSA-N 363.816 3.691 0 40 FHAB COc1ccc2c(c1)[C@]1(Nc3ccccc3-c3nc4ccccc4n31)C(=O)N2 13127195 OKNYPLINMPVUFV-JOCHJYFZSA-N 368.396 3.791 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1I 13647181 QITIBOOEOUYRPO-LLVKDONJSA-N 363.198 3.883 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 14139305 XMAVDZUTEIJNJS-QWHCGFSZSA-N 372.490 3.686 0 40 FHAB Cc1ccc2nc(N[C@@H](C)C34CC5CC(CC(C5)C3)C4)c3nnnn3c2c1 16348299 QXIUKFQQYNBAIO-JHMRYYBSSA-N 362.481 3.998 0 40 FHAB CCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(O)cc3s2)cc1 17076462 WCTDXKZQPADZOW-UHFFFAOYSA-N 373.459 3.527 0 40 FHAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)c3ccccc3C)ccc21 17286892 CUWIBQJSKUPVGY-UHFFFAOYSA-N 372.490 3.740 0 40 FHAB CCC(=O)N1CCC[C@@](Cc2ccc(-c3ccccc3F)cc2)(C(N)=O)C1 19498597 SIPXRMDVIITXLZ-QFIPXVFZSA-N 368.452 3.539 0 40 FHAB Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)[nH]n2)cc1 19666467 XGXPQWLXXRBKAB-CQSZACIVSA-N 363.417 3.647 0 40 FHAB CCCc1nnc(S/C(=C\c2ccc(Br)cc2)C(=O)O)[nH]1 7342257 ZVAHMRGQBYFHKN-FLIBITNWSA-N 368.256 3.738 0 40 FHAB CCCCNC(=O)O[C@@H](C(Cl)(Cl)Cl)P(=O)(OC)OC 2144662 RAPOWTHBVWCTOG-SSDOTTSWSA-N 356.570 3.695 0 40 FHAB Cc1cccc(C)c1[C@@H]1CCCN1C(=O)Nc1cnn(-c2ncccn2)c1 666188902 MYSKPWOGNCMMEH-KRWDZBQOSA-N 362.437 3.648 0 40 FHAB FC(F)(F)c1cc([C@@H]2CCCN(Cc3cccs3)C2)nc2ncnn12 19343437 JWUABOMBVKEDFO-LLVKDONJSA-N 367.400 3.584 0 40 FHAB Cc1nc(C2CC2)nc(N2CCN(c3nc4ccc(F)cc4o3)CC2)c1C 1888897544 RAHBITRGTLUKIK-UHFFFAOYSA-N 367.428 3.578 0 40 FHAB CC1(C)C[C@@H]2CN(C(=O)c3ccc(F)cn3)CC[C@@H]2N1c1ccc(F)cc1 2037988431 HNNSSAKQVUJLEV-KUHUBIRLSA-N 371.431 3.879 0 40 FHAB CC(C)COC(=O)N1CCC([C@H]2CCCCN2C(=O)C2CCC2)CC1 2056226385 QFGVOHFTBYPHPA-GOSISDBHSA-N 350.503 3.672 0 40 FHAB Cc1nc2cc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)ccc2s1 4072519 CBPGIIYVRIYZFA-UHFFFAOYSA-N 365.414 3.510 0 40 FHAB COc1ccc(Cl)cc1NC(=O)C(=O)c1c(C)n(C)c2ccccc12 4062662 VOSWAELJTFDPFN-UHFFFAOYSA-N 356.809 3.970 0 40 FHAB CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C/OC)C(=O)OC 13408812 NMLUOJBSAYAYEM-OCUKFOPLSA-N 368.477 3.817 0 40 FHAB biogenic,in-vitro Cc1c(C(=O)N(C)Cc2nc3ccccc3s2)oc2c1C(=O)CCC2 40144279 JXGAXHJFCJREOQ-UHFFFAOYSA-N 354.431 3.989 0 40 FHAB O=C(CNc1ccc(NC(=O)C2CC2)cc1)Nc1ccc(Cl)cc1F 10941872 SNXSGECHQHZKEY-UHFFFAOYSA-N 361.804 3.878 0 40 FHAB CCCCNc1nc(-c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cs1 7274065 OPGILDZJWWUZHU-LBPRGKRZSA-N 365.524 3.733 0 40 FHAB Cc1cccc(S(=O)(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c1 629714 YMCRFKSROQJDJL-UHFFFAOYSA-N 364.430 3.506 0 40 FHAB CCOc1cccc2cc(C(=O)NC(C)=O)/c(=N/c3cccc(C)c3)oc12 17130823 PXMHSEJZBGUXEW-LNVKXUELSA-N 364.401 3.649 0 40 FHAB COC(=O)c1c2c(cc3c1C[C@@]1(Cc4cc5c(cc4C1=O)CCC5)C3)CCC2 1855433 LVWDRDQXHIEPMF-RUZDIDTESA-N 372.464 3.975 0 40 FHAB O=C(O)c1cccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c1 3291522 NFFFXPZENJBKRP-UHFFFAOYSA-N 353.399 3.853 0 40 FHAB CCOC(=O)N1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(OC)cc1OC 4061494 LCFDWUSJFVKNSI-QRFRQXIXSA-N 363.454 3.528 0 40 FHAB biogenic Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)c1 6202394 NPDZWVAFXNPBBF-UHFFFAOYSA-N 370.453 3.969 0 40 FHAB Cc1cccc(N[C@@H]2CCc3c2[nH]c(=O)n(C2CCCCC2)c3=O)c1C 32603985 VKLJGFUGCIOKKO-GOSISDBHSA-N 353.466 3.758 0 40 FHAB CCOc1ccc(CCNC(=O)COc2c(C)cccc2C)cc1OCC 8352113 JDKSIODDAZEJAX-UHFFFAOYSA-N 371.477 3.839 0 40 FHAB Brc1ccc([C@H]2C[C@H](c3cccs3)Nc3nnnn32)cc1 15866472 JVUMKBNQXMNRIY-VXGBXAGGSA-N 362.256 3.643 0 40 FHAB CC(C)=C[C@H]1[C@H](C(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1(C)C 22186377 UVSPMORNQVUPDX-RBUKOAKNSA-N 354.494 3.646 0 40 FHAB CCOc1ccccc1CN(Cc1cccnc1)C[C@H]1CCCN1CC 22931722 XYDJCNBCBLODHK-OAQYLSRUSA-N 353.510 3.967 0 40 FHAB c1csc(CCn2nnnc2SCc2cccc3cccnc23)c1 22379477 WTZCRDRUWUNZAQ-UHFFFAOYSA-N 353.476 3.818 0 40 FHAB Cc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(N)[nH]c(=O)c32)cc1 102669236 BUOLHRIAVDYCDA-CQSZACIVSA-N 350.422 3.511 0 40 FHAB Cn1ncc2c(=O)[nH]c(CSc3ccc(Cl)c(C(F)(F)F)c3)nc21 54202675 OLEJMYUABFAHTK-UHFFFAOYSA-N 374.775 3.621 0 40 FHAB O=C(OC1CCCCC1)c1nnsc1[S@@](=O)c1ccc(Cl)cc1 1397414 DIBGWVIEMYJBBR-HSZRJFAPSA-N 370.883 3.848 0 40 FHAB Cc1ccc(Nc2nc(C(N)=O)c(NC(=O)c3cccs3)s2)cc1 12461703 KDDRYWAISKXOKO-UHFFFAOYSA-N 358.448 3.608 0 40 FHAB O=C(CSc1nnc2ccc3ccccc3n12)N1CCCc2ccccc21 1924247 IPSFQYJKLVNWTE-UHFFFAOYSA-N 374.469 3.954 0 40 FHAB C[C@H](OC(=O)CCN1C(=O)COc2ccccc21)c1ccc(Cl)cc1 57809526 USEIKDHBBNTEAU-ZDUSSCGKSA-N 359.809 3.760 0 40 FHAB CC(=O)Nc1cccc([C@H](C)NC(=O)N2CC[C@H](c3ccccc3)C2)c1 58226447 MYNAFFHRPDBVSQ-KXBFYZLASA-N 351.450 3.905 0 40 FHAB Cc1ccc(CNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1F 10496461 IQINSNTVKHIPLG-UHFFFAOYSA-N 367.399 3.878 0 40 FHAB O=S(=O)(CC(O)(c1ccccc1)c1ccccc1)c1ccc(F)cc1 3128199 QJKGQNXOYPSFGS-UHFFFAOYSA-N 356.418 3.536 0 40 FHAB CSc1ncccc1C(=O)OCC(=O)Nc1ccccc1C(F)(F)F 3273421 CTWCSGAFUBCSJK-UHFFFAOYSA-N 370.352 3.618 0 40 FHAB COc1cccc(OC)c1C(=O)OCc1ccc(Br)cc1 3299768 GJYCWOOOEBYONY-UHFFFAOYSA-N 351.196 3.823 0 40 FHAB C[C@H](OC(=O)CCc1nc2ccccc2s1)C(=O)N(C)c1ccccc1 3365077 GGEWANRAWCBQQL-AWEZNQCLSA-N 368.458 3.824 0 40 FHAB CCN(CC)c1c(S(=O)(=O)c2ccccc2)cnc2ccc(OC)cc12 22574352 SJPCVJNCSXEUED-UHFFFAOYSA-N 370.474 3.922 0 40 FHAB O=C(CCc1ccccc1O)NCc1cccnc1Oc1cccc(F)c1 48253235 RDYPUMVFYUHRPO-UHFFFAOYSA-N 366.392 3.968 0 40 FHAB CC(C)[C@@H](Sc1nnc(-c2cccs2)n1C)C(=O)N1CCCCC1 48364333 CSDBWUPDNGVGTJ-CQSZACIVSA-N 364.540 3.673 0 40 FHAB COc1ccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C)c(OC)c1 12868723 LBKFPKWVZWLOGY-UHFFFAOYSA-N 351.406 3.759 0 40 FHAB O=C(C[C@H]1Sc2ccccc2NC1=O)N[C@H]1CCCc2ccccc21 3441457 UVNDUSRIFSFFTC-MAUKXSAKSA-N 352.459 3.683 0 40 FHAB CC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(C(C)C)cc2)CC1 408628882 GMOVTYHIQFRWEC-UHFFFAOYSA-N 365.477 3.731 0 40 FHAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1ccc(Cl)cn1 7903946 GAFRHGNOXFORHM-SECBINFHSA-N 363.874 3.658 0 40 FHAB C[C@H](Cc1ccsc1)N(C)C(=O)c1ccc(CN2CCCC2=O)cc1 81398305 DEHPVBKVXBLGAK-OAHLLOKOSA-N 356.491 3.574 0 40 FHAB Cc1ccc(-n2[nH]c(C(=O)Nc3sc4c(c3C)CCCC4)cc2=O)cc1 81446071 USLABBMSIYCIJW-UHFFFAOYSA-N 367.474 3.975 0 40 FHAB Cc1ccc2nc(NC(=O)CCn3c(=O)oc4ccccc43)sc2c1 4121583 WKXCYLVZWKMYND-UHFFFAOYSA-N 353.403 3.541 0 40 FHAB Cc1cc(NC(=O)[C@@H](OC(=O)Cc2cccs2)c2ccccc2)no1 16743314 GZSCBRZRTDZAHH-KRWDZBQOSA-N 356.403 3.510 0 40 FHAB Cn1nc(C(=O)Nc2ccc(-c3ccccc3)cc2)c2ccccc2c1=O 6269764 MQOURPJSYICJSK-UHFFFAOYSA-N 355.397 3.853 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C2CC2)cc1 6314019 PLEUREMAXSHGBU-OAHLLOKOSA-N 357.475 3.879 0 40 FHAB COc1ccc2[nH]cc(C3=CCN(C(=O)Cc4ccccc4O)CC3)c2c1 65534593 CHZCXRSVTYDEMR-UHFFFAOYSA-N 362.429 3.741 0 40 FHAB CC(C)C(=O)Nc1ccc(NC(=O)NC[C@]2(N(C)C)CCC[C@H](C)C2)cc1 65513927 ZBUGEDCIGQBLSB-KKSFZXQISA-N 374.529 3.913 0 40 FHAB O=C(COC(=O)c1n[nH]c2ccccc12)Nc1c(Cl)cccc1Cl 5360823 SWHPDXSCZINPMP-UHFFFAOYSA-N 364.188 3.665 0 40 FHAB CCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2C)c1 5574248 ICBRCTVMLMOSOG-KRWDZBQOSA-N 353.349 3.506 0 40 FHAB CCc1c(C(=O)N2C[C@H](C)OC[C@H]2c2ccccc2)[nH]c(C)c1C(C)=O 173731995 PADVKEBOQFZANH-UGSOOPFHSA-N 354.450 3.690 0 40 FHAB CC[C@H](Oc1ccccc1)C(=O)NCCc1c[nH]c2ccc(OC)cc12 4731625 NBEDCBMPVPDHJK-FQEVSTJZSA-N 352.434 3.693 0 40 FHAB C[C@@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccc(-n2ccnc2)cc1 18048782 JPGAMBDDWMXFDL-YJYMSZOUSA-N 367.836 3.707 0 40 FHAB C[C@@H](OC(=O)c1c(F)cccc1F)C(=O)N[C@@H]1CCCc2ccccc21 7180519 VSPHQQHHWPGCLT-SJKOYZFVSA-N 359.372 3.704 0 40 FHAB Cc1cn(-c2ccccc2Cl)nc1NC(=O)[C@H]1Cc2cc(F)ccc2O1 92645857 HRZFRLMMQUVURX-QGZVFWFLSA-N 371.799 3.915 0 40 FHAB O=C(Nc1cnc2sc3cc(F)ccc3n2c1=O)c1ccc(Cl)cc1 9029148 XTGOKGQOORLQIX-UHFFFAOYSA-N 373.796 3.954 0 40 FHAB O=C(Nc1ccc(Cl)cn1)C(=O)NC(c1ccccc1)c1ccccc1 9306049 SOEDLXZNKFWDEW-UHFFFAOYSA-N 365.820 3.579 0 40 FHAB COc1ccc(C2(c3nnc(Cc4ccc(F)cc4)o3)CCOCC2)cc1 71889872 MAMCZOQOXLEFSG-UHFFFAOYSA-N 368.408 3.905 0 40 FHAB CCn1ccnc1CSc1nc(-c2ccccc2Br)n[nH]1 71882589 PBIXLXCXVYUVRO-UHFFFAOYSA-N 364.272 3.743 0 40 FHAB Cc1ccc(-n2ccc3nc(N4CCc5ccccc5C4)ncc3c2=O)cc1 19958945 CULYOLRQKGOUOE-UHFFFAOYSA-N 368.440 3.652 0 40 FHAB C[C@H](CC(F)(F)F)N[C@@H](CN(C)C1CCN(C)CC1)c1ccccc1 97228346 FPXBYKNMENJQSI-QAPCUYQASA-N 357.464 3.684 0 40 FHAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1c[nH]nc1-c1ccccc1 89954555 XCMOWAFMMINYNY-FQEVSTJZSA-N 374.444 3.551 0 40 FHAB O=C(OCC(=O)N(C1CCCC1)C1CC1)[C@@H]1CCCC[C@H]1C(F)(F)F 84543854 MOCMZJKPLARJOA-HUUCEWRRSA-N 361.404 3.832 0 40 FHAB COC(=O)CC1(NC(=O)Cc2c(C)nc3ccccc3c2C)CCCCC1 76094222 KEIXXSUVMRVYDE-UHFFFAOYSA-N 368.477 3.776 0 40 FHAB CSCc1cccc(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[nH]2)c1C 73769039 NIDKKCXIQQOIQT-UHFFFAOYSA-N 367.474 3.898 0 40 FHAB O=C(Nc1ccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)s1)C1CC1 9956297 WJAHYDFCQVDDPA-UHFFFAOYSA-N 365.458 3.776 0 40 FHAB COc1cc(NC(=O)c2n[nH]c3ccccc23)ccc1-n1nc(C)cc1C 79493548 BBJSVZHAYKIXSQ-UHFFFAOYSA-N 361.405 3.626 0 40 FHAB CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCN(c2ccc(F)cc2)CC1 20042178 IQSUYGZHBRKPNL-HXUWFJFHSA-N 356.441 3.640 0 40 FHAB Cc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c(C)n1C 409051025 GYMXZXYEVKQFAG-BOPFTXTBSA-N 374.437 3.896 0 40 FHAB CN(C)c1ccncc1C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 546082029 HIGXAHDBJZOYRC-OAQYLSRUSA-N 357.457 3.936 0 40 FHAB CSc1ncc(/C=C/C(=O)Nc2nc(-c3ccccc3)cs2)cn1 408534330 VDUFRNYFFWSXHI-BQYQJAHWSA-N 354.460 3.974 0 40 FHAB CCn1nc(C)c(CNC(=O)COc2ccc(Cl)cc2Cl)c1C 32648013 WFBSDFXAAZMYIA-UHFFFAOYSA-N 356.253 3.522 0 40 FHAB COc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1OC 38834959 IMSBDKWKWHEUBL-MRXNPFEDSA-N 372.440 3.694 0 40 FHAB Cc1ccc(OCCNC(=O)CCCc2nc3ccccc3o2)c(C)c1 33221069 RTRJCYAFTYFRBW-UHFFFAOYSA-N 352.434 3.963 0 40 FHAB COc1ccccc1OC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1 408670493 SMBJRLZIPDPSFZ-CYBMUJFWSA-N 359.809 3.616 0 40 FHAB COc1ccc(-c2csc(CNC(=O)OC(C)(C)C)n2)cc1OC 526059750 HSTOQZZKSHBAIO-UHFFFAOYSA-N 350.440 3.852 0 40 FHAB CC[C@H](NC(=O)[C@H](C)n1ccc(C(F)(F)F)n1)c1cc(F)ccc1OC 1535387402 OBXGKDKHTVKFML-GWCFXTLKSA-N 373.350 3.878 0 40 FHAB COc1cccc(-c2noc([C@@H]3CCN(Cc4cccc(F)c4)C3)n2)c1 72369887 HQKBNNHDHRUKNB-MRXNPFEDSA-N 353.397 3.874 0 40 FHAB CCN(CC(=O)NC(=O)Nc1ccccc1F)[C@@H](C)c1cccc(OC)c1 32927246 FHTWWWKIUYLNDP-AWEZNQCLSA-N 373.428 3.566 0 40 FHAB COc1cc([C@H]2NCc3cc4c(cc3-n3cccc32)OCO4)ccc1F 55231415 WZALNQKDAQULAI-HXUWFJFHSA-N 352.365 3.546 0 40 FHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)COc1ccc(OC)cc1 219588740 ILNLMAVBRDMKDO-OXJNMPFZSA-N 357.450 3.745 0 40 FHAB C[C@H]1C[C@@H](C)CN(C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C1 35292688 UGIMLWFYZFHTQV-JRPNMDOOSA-N 352.887 3.647 0 40 FHAB O=C(Cc1c(F)cccc1Cl)NCCCCCc1nnc2ccccn12 72405302 ANVJLOQPDJLCGD-UHFFFAOYSA-N 374.847 3.594 0 40 FHAB CN(Cc1ccccc1F)C(=O)c1ccc(NC(=O)c2ccccn2)cc1 32932505 GSHKKBSRHLYHAF-UHFFFAOYSA-N 363.392 3.745 0 40 FHAB O=C(NC(NC(=O)c1ccccc1)C(Cl)(Cl)Cl)c1ccccc1 70632406 MYDLZBOQPYEYOQ-UHFFFAOYSA-N 371.651 3.543 0 40 FHAB COc1ccc(CNC(=S)Nc2ccc(C)c(C)c2)c(OC)c1OC 44252110 AOWXWIMPTANALY-UHFFFAOYSA-N 360.479 3.816 0 40 FHAB COc1ccc(NC(=S)NCc2ccc(OC(C)C)cc2)cc1OC 225445980 UHEVYMKVPKKLBE-UHFFFAOYSA-N 360.479 3.978 0 40 FHAB CN1CCC(Oc2ccc(NC(=O)Cc3ccccc3Cl)cc2)CC1 225441448 GZCSNHKWOYAMSJ-UHFFFAOYSA-N 358.869 3.994 0 40 FHAB COc1ccc(-c2cnn(CCCC(=O)Nc3ncc(C)s3)c2)cc1 227166561 KKCUCNPODDDBQZ-UHFFFAOYSA-N 356.451 3.743 0 40 FHAB O=C(Nc1cccc(-c2cnco2)c1)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2 527483331 KCLLUDDBTSQPSV-RJZRQDKASA-N 352.312 3.636 0 40 FHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222719019 NBYIAYRWGZLJAC-CRAIPNDOSA-N 355.434 3.801 0 40 FHAB CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(F)cc1 224908150 BHQNYFXRQNIPAZ-UHFFFAOYSA-N 358.232 3.803 0 40 FHAB Cc1cccc(NC(=O)C(C)(C)Oc2nn(-c3ccccc3)cc2C)n1 227151195 RNHBLRRDXFJGDG-UHFFFAOYSA-N 350.422 3.680 0 40 FHAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 222673535 FAWCXFWQFMXDNC-INIZCTEOSA-N 370.468 3.700 0 40 FHAB COCc1nc2nccc(-c3cc4c(cc3C)[C@@H](C)CC(C)(C)N4)n2n1 575473117 HOIHPLTXUGFPQY-ZDUSSCGKSA-N 351.454 3.944 0 40 FHAB COc1cccc(O[C@H](Cc2cccc(Br)c2)C(=O)O)c1 225063811 MBPACOUNLAPPEX-OAHLLOKOSA-N 351.196 3.532 0 40 FHAB CC(C)(C)OC(=O)N1CC[C@H](NCCc2cccc(Br)c2)C1 89223451 XBLATSAIKIAMQF-HNNXBMFYSA-N 369.303 3.591 0 40 FHAB C[C@H](C(=O)N1CCN(c2cc(-c3ccccc3)n[nH]2)CC1)c1ccccc1 98211702 LJHHLEPUKOYGGW-KRWDZBQOSA-N 360.461 3.529 0 40 FHAB CC(C)n1c2ccccc2c2c1cc(C(=O)NC1CC1)n2C(=O)N(C)C 96146412 LQQXXXIUCZZMBR-UHFFFAOYSA-N 352.438 3.599 0 40 FHAB Cc1ccoc1C(=O)N1CCC2(CCN(Cc3cccc(F)c3)CC2)C1 96046631 KPHGXLZEGZJSRA-UHFFFAOYSA-N 356.441 3.855 0 40 FHAB Cc1nc(-c2ccc(F)cc2)nc2c1CCN(C(=O)CC(C)(C)C)CC2 96254757 PUBKJFYEBQLHQM-UHFFFAOYSA-N 355.457 3.955 0 40 FHAB CCOc1ccc([C@@H](N)c2n[nH]c(-c3ccccc3Cl)n2)cc1OC 95534283 VLTVLORIWHGYQE-MRXNPFEDSA-N 358.829 3.581 0 40 FHAB O=C(NC[C@H]1C[C@H]2CC[C@H]1C2)c1cc(-c2ccncc2)c2cnccc2n1 247507108 RUMARPRVTUDNAW-BHYGNILZSA-N 358.445 3.858 0 40 FHAB Cc1onc(C(C)C)c1C(=O)N1CCCC[C@H]1c1ccn2nccc2n1 257213157 CGJVOFUFGLKWAK-HNNXBMFYSA-N 353.426 3.517 0 40 FHAB OC[C@@]1(Cc2ccc(F)cc2)CCN(c2cncc(-c3ccccc3)n2)C1 585083471 NTWFTFIUHZKNMQ-JOCHJYFZSA-N 363.436 3.714 0 40 FHAB CCn1nccc1-c1cc(CC2CCN(C(=O)C(C)(C)C)CC2)ccn1 257270622 MUYNXNUULGDQAF-UHFFFAOYSA-N 354.498 3.792 0 40 FHAB Cc1cc(-c2nc(C)c[nH]2)nc([C@H]2CCCCN2Cc2cncs2)n1 257234591 GUGODNIOSLXOER-MRXNPFEDSA-N 354.483 3.667 0 40 FHAB O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccccc3F)N2Cc2cccnc2)N1 257279264 OFVIXBIANILPBT-AABGKKOBSA-N 353.441 3.595 0 40 FHAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 260839143 JBTCOBPXZFISID-PMUQWRBBSA-N 364.445 3.664 0 40 FHAB O=C(COc1ccccc1F)N1CCC(CSc2ccccn2)CC1 85472312 HYNXKNXSQUTASY-UHFFFAOYSA-N 360.454 3.630 0 40 FHAB CC(C)(C)C(=O)Nc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)cn1 1125608666 BEZDRFSEBBGTGX-UHFFFAOYSA-N 363.820 3.789 0 40 FHAB CO[C@H](Cn1ccc(=O)c2cc(Oc3ccccc3)ccc21)[C@@H]1CCOC1 664021889 JBLQQKTWFMNXEX-OPAMFIHVSA-N 365.429 3.845 0 40 FHAB O=C(c1cccs1)N1CCC2(CC1)CCN(Cc1cccc(F)c1)C2=O 585099770 NSPGVTGVNREIPH-UHFFFAOYSA-N 372.465 3.542 0 40 FHAB Cc1ccc(CNC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c(C)c1 56385377 RWYLBNNSDQYEBX-UHFFFAOYSA-N 365.477 3.539 0 40 FHAB Cc1nc(CCN[C@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)cs1 95466843 XHYFVWTWLJOQTR-CJNGLKHVSA-N 353.532 3.762 0 40 FHAB CC(C)SCc1nnc2sc(-c3cc(-c4ccccc4)[nH]n3)nn12 1775972287 RXQXCVBEULSKGS-UHFFFAOYSA-N 356.480 3.885 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2ccccc2)CC1 12142659 BCUVXNBDAPTXPR-UHFFFAOYSA-N 361.489 3.814 0 40 FHAB O=C(Cc1ccc(Cl)cc1Cl)N1CCC[C@@H]1[C@@H](O)c1nccs1 12182173 VTIQREIFESDIPE-UKRRQHHQSA-N 371.289 3.717 0 40 FHAB CCOc1ccc(OC[C@H](O)CN(C)Cc2c(F)cccc2Cl)cc1 12850351 WTMWYFBVDWEIKP-CQSZACIVSA-N 367.848 3.750 0 40 FHAB COc1ccccc1NC(=O)Cn1c(-c2cccc(C)c2)n[nH]c1=S 13008512 DWIZTPYXEYHVCM-UHFFFAOYSA-N 354.435 3.563 0 40 FHAB Cc1ccc(C)c([C@H](NC(=O)c2c3c(nn2C)CCCC3)c2ccncc2)c1 19132301 KWFMKMYOVOITPY-OAQYLSRUSA-N 374.488 3.830 0 40 FHAB O=C(NCc1ccc(F)cc1)c1cc(-c2ccncc2)c2cnccc2n1 19334613 HTVRXXQYXMLOOV-UHFFFAOYSA-N 358.376 3.761 0 40 FHAB C[C@H](CC(=O)N1CCC(c2noc3cc(F)ccc23)CC1)n1cccn1 19455126 JJJHSJNJAKTKAL-CYBMUJFWSA-N 356.401 3.521 0 40 FHAB COc1ccc(C(=O)N2CCC[C@H](c3cc4ncccc4[nH]3)C2)c(OC)c1 19551906 CYUKVGOYHXOTRO-AWEZNQCLSA-N 365.433 3.600 0 40 FHAB O=C(O)c1cc(Cl)c(Cl)c(NC(=S)NC(=O)c2ccccc2)c1 226354847 ODTGWBHFLNLWQW-UHFFFAOYSA-N 369.229 3.818 0 40 FHAB O=C(OCCOc1ccccc1F)C(O)(c1ccccc1)c1ccccc1 9180368 FSECVPSHQHRYBO-UHFFFAOYSA-N 366.388 3.684 0 40 FHAB COc1ccccc1OCC(=O)NCc1ccnc(-c2cccs2)c1 252537728 MDLMASWPYSKGKT-UHFFFAOYSA-N 354.431 3.514 0 40 FHAB COc1ccc(C(=O)CSc2nnc(-c3cccs3)o2)cc1OC 3365804 YPGKXHUBSDMIMH-UHFFFAOYSA-N 362.432 3.790 0 40 FHAB Cc1ccccc1-n1nnc(-c2nc(-c3ccc(Cl)cc3)no2)c1N 4313450 DSRAOBUQSSQZIQ-UHFFFAOYSA-N 352.785 3.528 0 40 FHAB COC(=O)c1ccc(CSc2nnc(-c3c[nH]c4ccccc34)n2C)o1 18143671 GYEPNOBNSQIHQL-UHFFFAOYSA-N 368.418 3.635 0 40 FHAB O=C(NCc1cn(-c2cccs2)nn1)C1(c2cccs2)CCCC1 575616243 JBJUBPWMSFILIG-UHFFFAOYSA-N 358.492 3.519 0 40 FHAB CCOc1ccc(C(=O)CCC(=O)N[C@H](C)c2ccc3c(c2)OCO3)cc1 10959841 FHAUDUXHTHZWFD-CQSZACIVSA-N 369.417 3.654 0 40 FHAB CCCc1nnc(NC(=O)CCC(=O)Nc2ccc(C(C)C)cc2)s1 2428143 FHSLMZDQANUUHA-UHFFFAOYSA-N 360.483 3.971 0 40 FHAB CC(=O)Nc1cccc(-c2nnc(SCC(=O)c3ccccc3)o2)c1 7610228 UTZVQLHKFWGMQQ-UHFFFAOYSA-N 353.403 3.670 0 40 FHAB COc1ccc(/C=C/C(=O)OCC(=O)c2ccc(Cl)cc2)c(OC)c1 1948814 TZCGPKYAHRDCOF-UXBLZVDNSA-N 360.793 3.797 0 40 FHAB Fc1ccc(-n2nnnc2-c2cnn(-c3ccccc3)c2C(F)(F)F)cc1 3120494 PDENLZUPSSMYTK-UHFFFAOYSA-N 374.301 3.673 0 40 FHAB Cc1ccccc1CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 3448822 RKQXFQDNBFIASB-UHFFFAOYSA-N 356.425 3.991 0 40 FHAB O=C(CCc1ccccc1)N1N=C(C(F)(F)F)C[C@@]1(O)c1cccs1 4974180 WSNQZJOVQWXREI-MRXNPFEDSA-N 368.380 3.677 0 40 FHAB O=C(CCN1C(=O)CSc2ccccc21)Nc1ccc(Cl)cc1F 6789166 GOVHBSUYKRQSQK-UHFFFAOYSA-N 364.829 3.947 0 40 FHAB COc1ccc(-n2cnnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 6862644 WAVKSRDIYOHIHT-UHFFFAOYSA-N 368.462 3.624 0 40 FHAB COc1ccc(CNCc2cc3ccccc3nc2N2CCCCC2)cn1 101590987 GCTALOARWNUUPY-UHFFFAOYSA-N 362.477 3.919 0 40 FHAB COc1ccc(S[C@H](C)C(=O)NCc2ccc(OC)c(OC)c2)cc1 7935378 LBOCDFIDWQPWIV-CYBMUJFWSA-N 361.463 3.509 0 40 FHAB Cc1ccc(SCC(=O)O[C@H](C)C(=O)N2CCc3ccccc32)cc1 7978904 PDQWJNZFXKBNGS-OAHLLOKOSA-N 355.459 3.608 0 40 FHAB COC(=O)Cn1c(SCCOc2ccc(C)c(C)c2)nc2ccccc21 11667113 NDVUYEWDSAHREW-UHFFFAOYSA-N 370.474 3.997 0 40 FHAB CCC[C@@H](c1nnnn1C(C)(C)CC)N1CCN(c2ccc(F)cc2)CC1 57669870 ZUUNIVVVGZTWAM-SFHVURJKSA-N 374.508 3.621 0 40 FHAB CCc1ccc(CN(C)C(=O)CSc2nc(-c3ccccc3)n[nH]2)cc1 9643182 XUFGFOHJCQBNCF-UHFFFAOYSA-N 366.490 3.785 0 40 FHAB Cc1ccccc1-n1nnnc1S[C@@H](C)c1nnc(-c2ccccc2)o1 7787286 BGZUGEGDPGMJCC-ZDUSSCGKSA-N 364.434 3.874 0 40 FHAB COc1cccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1OC 11917870 IDAXONSKTKQZAM-UHFFFAOYSA-N 355.390 3.998 0 40 FHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)COc1ccccc1Cl 21964538 WUZPBZNTLZSWEW-UHFFFAOYSA-N 369.852 3.622 0 40 FHAB COc1ccc([C@H](C)NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1OC 46456557 IUMJIFIXDJUELQ-LBPRGKRZSA-N 369.396 3.724 0 40 FHAB COc1cc(CC(=O)N2CCC[C@@H]2c2cccs2)cc(OC)c1OC 7798062 PRMHMGVANDUUTG-CQSZACIVSA-N 361.463 3.680 0 40 FHAB CCN1C(=O)[C@]2(NCCc3c2c(C)n(-c2ccccc2)c3C)c2ccccc21 22096351 RXRZNCJMQXAVLK-DEOSSOPVSA-N 371.484 3.850 0 40 FHAB CCN(CC)c1ccc2cc(C(=O)Nc3ccc(OC)cc3)c(=O)oc2c1 845999 QPRUSHTXNONOFW-UHFFFAOYSA-N 366.417 3.900 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)n2C)cc1 876254 OITJSKPOEKUHMM-UHFFFAOYSA-N 352.463 3.830 0 40 FHAB O=C(Nc1ncc(Cc2ccccc2F)s1)[C@@H]1COc2ccccc2O1 818355 KGDALVFLXWLNIU-KRWDZBQOSA-N 370.405 3.652 0 40 FHAB O=C(CCC(=O)c1ccc(F)cc1)OCc1cnn(-c2ccccc2)c1 23053413 KQYBCKBEZXCOBA-UHFFFAOYSA-N 352.365 3.718 0 40 FHAB O=C(O)[C@H](c1c[nH]c2ccccc12)N1CCN(c2cccc(Cl)c2)CC1 12324472 NGNJMFXYCUYTOK-IBGZPJMESA-N 369.852 3.769 0 40 FHAB O=C1c2ccccc2N[C@@H](C2=Cc3ccccc3OC2)N1C[C@@H]1CCCO1 8710978 NUFDSZBVNZZHNU-LAUBAEHRSA-N 362.429 3.535 0 40 FHAB CCc1nnc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)s1 24763266 MKYMNOSYFLQDKN-UHFFFAOYSA-N 359.430 3.801 0 40 FHAB COC(=O)c1ccc2ccccc2c1OCC(=O)N1CCc2ccccc21 24976652 QCNUXGRVIYKLFF-UHFFFAOYSA-N 361.397 3.595 0 40 FHAB CC(C)N(C(=O)COC(=O)c1c[nH]nc1-c1ccccc1)c1ccccc1 12525378 OAFDJRNOLSAZTQ-UHFFFAOYSA-N 363.417 3.675 0 40 FHAB COC(=O)c1sccc1NC(=O)N1CCC([C@H](O)c2ccccc2)CC1 25228706 IEMVEAWZHMSTNE-MRXNPFEDSA-N 374.462 3.512 0 40 FHAB CCCCCCNC(=O)Cn1c(S)nnc1-c1ccc(Cl)cc1 25343156 VEAZZXSLGYDAHE-UHFFFAOYSA-N 352.891 3.584 0 40 FHAB O=C1NN=C2CCCCCCC[C@H]3C(=O)NN=C3CCCCCCC[C@@H]12 103553493 KRDAPKLDJJSAJY-HZPDHXFCSA-N 360.502 3.665 0 40 FHAB CCc1cccc(S(=O)(=O)N(C)[C@H]2CCCc3nc(C)sc32)c1 81054690 LNGYFGNLTYGKRQ-INIZCTEOSA-N 350.509 3.712 0 40 FHAB COc1ccc(F)cc1C(=O)CSc1n[nH]c(/C=C/c2ccc(C)o2)n1 12552545 PWWMLNDDICPHDE-SOFGYWHQSA-N 373.409 3.999 0 40 FHAB COc1ccccc1CNC(=O)NCCc1coc(-c2ccc(F)cc2)n1 58244349 PBURCPNEZYDREU-UHFFFAOYSA-N 369.396 3.531 0 40 FHAB CN(C[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)C(=O)OC(C)(C)C 58210696 HXLZCHJBNBFTSI-CQSZACIVSA-N 350.434 3.545 0 40 FHAB O=C(CSc1ccccc1Br)NC(=O)Nc1ccccc1 16360699 XORQAHDSWKWWCB-UHFFFAOYSA-N 365.252 3.890 0 40 FHAB O=C(NCc1cccnc1Oc1cccc(F)c1)[C@@H]1Cc2ccccc2O1 58413198 RSTQQMVIEGTMGO-IBGZPJMESA-N 364.376 3.633 0 40 FHAB Cn1c(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc2ccccc21 36358806 QOXWJUWQPIUXQQ-UHFFFAOYSA-N 368.864 3.956 0 40 FHAB CC[C@@H](CNC(=O)C[C@H]1Sc2ccccc2NC1=O)c1ccccc1 12613851 ONULFPKSGOIEBW-KBXCAEBGSA-N 354.475 3.800 0 40 FHAB Clc1ccc2oc(C3CCN(c4ncnc5[nH]ncc45)CC3)nc2c1 48325396 YONHZQWMYUGBBX-UHFFFAOYSA-N 354.801 3.532 0 40 FHAB O=C(NCC(F)(F)F)c1cc(-c2cccs2)nn1-c1ccccc1 7982721 NPYIELOHKSLYLQ-UHFFFAOYSA-N 351.353 3.893 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)c1 20143317 HXQPBRZQLXLLPJ-UHFFFAOYSA-N 353.374 3.708 0 40 FHAB O=C(Nc1ccccc1)C1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1 8025454 SVOHSRYIOMPYAG-UHFFFAOYSA-N 373.456 3.968 0 40 FHAB COCCNC(=O)c1ccccc1OCc1ccc(Cl)cc1Cl 6084632 MVLXFWLAPJRVLB-UHFFFAOYSA-N 354.233 3.949 0 40 FHAB CCOc1ccc(-c2nc(COc3ccc(C(N)=O)cc3)cs2)cc1 8345204 VCRPZJXBZPRVCP-UHFFFAOYSA-N 354.431 3.887 0 40 FHAB Cc1sc2ncn(CC(=O)c3cc(C)n(C4CC4)c3C)c(=O)c2c1C 6111094 JQIXCZHEUYQAOV-UHFFFAOYSA-N 355.463 3.711 0 40 FHAB Cc1ccc(-n2nnnc2SCc2nc3ccccc3nc2C)cc1C 39973609 JPPHMBPGILUAOR-UHFFFAOYSA-N 362.462 3.823 0 40 FHAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@H](C)c2ccncc2)cc1 5227078 POROCCNNDOZGON-CQSZACIVSA-N 365.433 3.685 0 40 FHAB Cc1cc(C(=O)Cn2nnc(-c3ccccc3Cl)n2)c(C)n1C1CC1 8491160 YKPNZQQCVIRNMI-UHFFFAOYSA-N 355.829 3.630 0 40 FHAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)c(C)c1 5329436 CSOFNLNQRNUJGY-UHFFFAOYSA-N 358.463 3.539 0 40 FHAB CN(CCOc1cccc(Cl)c1)CC(=O)Nc1c(F)cccc1F 14111468 QKABITJAJSICSK-UHFFFAOYSA-N 354.784 3.568 0 40 FHAB CC(C)n1cc(C(=O)c2ccccc2O)cc1-c1nc2ccccc2c(=O)[nH]1 6590680 IOQXHKFQUAACAW-UHFFFAOYSA-N 373.412 3.909 0 40 FHAB O=C(COc1ccc(Cl)cc1)Nc1nnc(-c2cccs2)s1 4648752 CTTCJWQWOIOLAU-UHFFFAOYSA-N 351.840 3.938 0 40 FHAB O=C1C[C@H](Nc2cccc(F)c2)C(=O)N1c1ccccc1C(F)(F)F 6974699 PRRBCYGKRJWPMQ-ZDUSSCGKSA-N 352.287 3.589 0 40 FHAB COc1cc(Cl)ccc1C(=O)OCC(=O)N[C@@H](C)c1ccc(C)cc1 67198398 NVHUPLWPSFOIKZ-ZDUSSCGKSA-N 361.825 3.691 0 40 FHAB CCCOc1ccccc1[C@H]1SCC(=O)Nc2c1c(O)nn2C(C)C 5965508 UBHLPULYUVDJMV-MRXNPFEDSA-N 361.467 3.733 0 40 FHAB CCOc1ccc(-n2c(SCC(=O)N(C)C)nc3ccccc32)cc1 8708437 BEDAYKJLCIIJHK-UHFFFAOYSA-N 355.463 3.605 0 40 FHAB C[C@H](OC(=O)c1cccc(Cl)c1N)C(=O)Nc1ccccc1Cl 18405923 YWDGLKKHFKCQMM-VIFPVBQESA-N 353.205 3.760 0 40 FHAB C[C@@H](c1nc2ccccc2s1)N(C)Cc1nc2ccccc2c(=O)[nH]1 23847210 JYEMZNNIWTYLEJ-LBPRGKRZSA-N 350.447 3.726 0 40 FHAB CCCOc1cc(S(=O)(=O)Nc2ccccc2C(=O)O)ccc1Cl 9061838 MIJRCGGTHSENOU-UHFFFAOYSA-N 369.826 3.628 0 40 FHAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1C[C@H](C)Sc2ccccc21 84008486 GLZVMAKNGPWHHM-LBPRGKRZSA-N 365.524 3.770 0 40 FHAB Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3ncccc3O)cc12 9364376 OELJXNPCOSCARY-UHFFFAOYSA-N 364.430 3.807 0 40 FHAB Cc1ccc(-n2cnnc2SCC(=O)N2CCCC[C@@H]2C)cc1Cl 9366207 LJPKMUYRFIUIJB-ZDUSSCGKSA-N 364.902 3.722 0 40 FHAB Cc1ccc(-c2csc3ncnc(NCCCN4CCOCC4)c23)cc1 19911528 JXAAYYMWMICKMU-UHFFFAOYSA-N 368.506 3.801 0 40 FHAB C[C@H](NC(=O)[C@]1(C)CCCN1C(=O)OC(C)(C)C)c1ccc(F)c(F)c1 84647875 QDDPEEBKDWXKFI-BUXKBTBVSA-N 368.424 3.932 0 40 FHAB Cc1nc(NC(=O)[C@@H](C)Cn2nc(C)c(Br)c2C)sc1C 28229974 AAHMAHXIDNTJAV-ZETCQYMHSA-N 371.304 3.611 0 40 FHAB Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)CNC(=O)c2ccoc2C)cc1 85686831 YYJZWXLOUWLGCX-YWZLYKJASA-N 354.450 3.626 0 40 FHAB Cc1ccc(-n2nnc(C(=O)Nc3ccc4oc(=O)ccc4c3)c2C)cc1C 9970584 GTCSTFGBYLRTBV-UHFFFAOYSA-N 374.400 3.551 0 40 FHAB CCOc1ccc(Br)cc1CNC[C@H](O)c1ccccc1 22075941 KRJJMUBBDHCIKO-INIZCTEOSA-N 350.256 3.671 0 40 FHAB CCN(CC)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccc(Cl)cc1 79112588 KEPDKKDOQUGCNF-KRWDZBQOSA-N 359.857 3.953 0 40 FHAB Cc1ccc(NC(=O)COc2ccc(C(=S)N3CCCC3)cc2)cc1 409222567 BZCCKPWWRAUYET-UHFFFAOYSA-N 354.475 3.784 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)Oc1ccccc1 409001492 ISHXIJPRYOBVMK-KRWDZBQOSA-N 354.406 3.606 0 40 FHAB C[C@H](C(=O)N[C@@H]1CCc2cc(Cl)ccc21)N1CCc2ccccc2C1 521915597 BZSJNSFZJYSRDG-JLTOFOAXSA-N 354.881 3.890 0 40 FHAB C[C@H]1Cc2cc(S(=O)(=O)Nc3cccc(Br)c3)ccc2N1 78403907 ZHAJJNJQLLEFRS-JTQLQIEISA-N 367.268 3.606 0 40 FHAB CCCCS(=O)(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1 48275134 SODUIXIGOOYBMF-UHFFFAOYSA-N 363.527 3.851 0 40 FHAB COc1ccc(-c2cnc(CCC(=O)NCc3ccccc3)o2)c(OC)c1 224865331 XCPLQQTZPBVJAD-UHFFFAOYSA-N 366.417 3.608 0 40 FHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1OC 224622606 RGBMJMJQAOMDQJ-MRXNPFEDSA-N 363.841 3.701 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1C 225056472 DKYOKERYWJWWGY-CYBMUJFWSA-N 356.447 3.623 0 40 FHAB CCOC(=O)c1cc(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)ccc1Cl 225323651 VCODTTBSGKYZEP-UEKVPHQBSA-N 352.887 3.992 0 40 FHAB O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccnn1CC(F)F 329879446 MGFKQBYWXVRKJA-CQSZACIVSA-N 361.392 3.715 0 40 FHAB Cc1ccccc1CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC(C)C 224674469 YBZGCZFWMRLGQW-KRWDZBQOSA-N 370.468 3.619 0 40 FHAB CC(C)C[C@@H](C(=O)Nc1ccc(C(=O)c2nccn2C)cc1)n1cccc1 575444011 OMXUHIAVAXLYIF-SFHVURJKSA-N 364.449 3.679 0 40 FHAB C[C@]1(CN[C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCO[C@@H]1C1CC1 577492468 PMJDFEYRSJKWAW-YPAWHYETSA-N 354.538 3.978 0 40 FHAB CCOC[C@@H]1CN(C(=O)C2=CCCC2)Cc2cnn(CC3CCCC3)c21 96198449 PYGNCXDIIILHKC-IBGZPJMESA-N 357.498 3.646 0 40 FHAB CC(C)c1noc([C@@H](NCc2cccc3[nH]ccc23)C2CCOCC2)n1 583622103 NUZYAVPYMZLYAD-SFHVURJKSA-N 354.454 3.932 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1n[nH]c2ccccc12 96231972 ZYZUGDXYHJPDLJ-GOSISDBHSA-N 360.417 3.860 0 40 FHAB Cc1cccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 243789504 QJZJDNXLFIEQIZ-MRXNPFEDSA-N 356.853 3.626 0 40 FHAB Cc1ccc(-n2nc(C(=O)O)c(N3CC[C@H](c4ccccc4)C3)n2)cc1C 256046262 DVIOYIUGYIHHAH-KRWDZBQOSA-N 362.433 3.576 0 40 FHAB C[C@@H]1CN(Cc2ccc(Oc3cnccn3)cc2)c2ccccc2NC1=O 585081051 IQJOBVMFEPHNQB-OAHLLOKOSA-N 360.417 3.864 0 40 FHAB CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@@H]1CCCCN2C(=O)c1ccccc1 257323952 WMOLLJUUJLHGAZ-FKBYEOEOSA-N 362.473 3.696 0 40 FHAB COC(C)(C)C(=O)N1CCC[C@@H](c2nccnc2Oc2ccccc2F)C1 257341637 ZLGGNUQUHJEOFS-CQSZACIVSA-N 373.428 3.539 0 40 FHAB O=C(C1CCCC1)N1CCC(c2ccnc(Nc3ccccn3)n2)CC1 257273682 NHRHPCFNKVICEF-UHFFFAOYSA-N 351.454 3.511 0 40 FHAB O=C(c1cnccn1)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257282223 OSYGZXAPIFNTPV-KRWDZBQOSA-N 368.824 3.686 0 40 FHAB COCCN(Cc1ccoc1)C(=O)C(C)(C)Oc1ccc(Cl)cc1 85474355 WUPWEVGPSYAFCY-UHFFFAOYSA-N 351.830 3.766 0 40 FHAB C=CC(=O)N(CC)CC(=O)N1CCC[C@H](Cc2csc3ccccc23)C1 1632387229 KKIYUYZWQPIGON-MRXNPFEDSA-N 370.518 3.717 0 40 FHAB O=S(=O)(c1ccccc1)C1(c2nc([C@@H]3CCc4ccccc43)no2)CC1 680748008 UFTXMRNJNDIRQM-QGZVFWFLSA-N 366.442 3.611 0 40 FHAB COc1cc(/C=C2\SC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1O 1005815 KVTYPSFAAMNTSL-YBEGLDIGSA-N 371.414 3.959 0 40 FHAB Cc1cc(C)n(CCC(=O)Nc2ccc(-c3ccc(F)cc3)cc2)c(=O)n1 19572518 GABVKPIUMISSRB-UHFFFAOYSA-N 365.408 3.695 0 40 FHAB O=C(c1ccccc1F)N1CCCC[C@H]2NCC[C@H](c3ccccc3)[C@H]21 19373925 GXJUBHPKFFNSPU-DUXKGJEZSA-N 352.453 3.966 0 40 FHAB COc1ccc(O[C@@H](C)CNC(=O)c2oc3ccc(OC)cc3c2C)cc1 19565634 IFADYIYAQRGGHN-ZDUSSCGKSA-N 369.417 3.956 0 40 FHAB COc1ccccc1C(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCCN2C 19589268 SJECMQSQVPZKOU-SFHLNBCPSA-N 368.452 3.537 0 40 FHAB O=C(c1cccc(C(F)(F)F)c1)N1CCC(c2nnc(C3CC3)o2)CC1 35597670 XPGRUQMXLSDRLT-UHFFFAOYSA-N 365.355 3.986 0 40 FHAB Cc1ccc(NC(=O)COc2cccc(I)c2)cc1 5407813 DTSGUOQQGYRXCQ-UHFFFAOYSA-N 367.186 3.617 0 40 FHAB COc1cc(NC(=O)COc2ccc(Cl)c3cccnc23)cc(OC)c1 6589453 AGMREAHKDYWSDU-UHFFFAOYSA-N 372.808 3.923 0 40 FHAB Cc1ccc(OCCN(C)C(=O)NCc2nc3ccccc3s2)cc1 29677401 AGXGNXKZBGWJKW-UHFFFAOYSA-N 355.463 3.825 0 40 FHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(OC)c2ccccc12 4585756 QZVUVPPYQOBGQL-UHFFFAOYSA-N 369.442 3.894 0 40 FHAB CSc1cccc2sc(NC(=O)[C@@H]3COc4ccccc4O3)nc12 5299267 LAZYDULYQHTEMH-LBPRGKRZSA-N 358.444 3.797 0 40 FHAB COc1ccc(CNC(=O)Cc2cc(-c3ccc(Cl)cc3)on2)cc1 12422176 RERCVPRGJJORMZ-UHFFFAOYSA-N 356.809 3.863 0 40 FHAB C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)Cc1n[nH]c2c1CCCC2 2298127468 SEAMZUBIUDCLCC-VGSWGCGISA-N 352.526 3.631 0 40 FHAB CCN(CC)C(=O)N1CCC[C@H](C(=O)N[C@@H](c2cccs2)C(C)C)C1 40088465 NDAJCUANFOLLRZ-DOTOQJQBSA-N 365.543 3.735 0 40 FHAB C[C@@H](NC(=O)Nc1ccc(I)cc1)c1ccncc1 40096933 NTFOXAJWXDUVRQ-SNVBAGLBSA-N 367.190 3.569 0 40 FHAB O=C(Nc1ccc(N2CCC(O)CC2)cc1)c1nc(Cl)ccc1Cl 58878661 PBAYALOYOZFILH-UHFFFAOYSA-N 366.248 3.602 0 40 FHAB CCOc1ccc(CN(C)C(=O)c2ccc(NC(=O)C3CC3)s2)cc1 11239042 KWVKTNIPWXICJI-UHFFFAOYSA-N 358.463 3.768 0 40 FHAB O=C(NC1CCCC1)C1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 819575 LJDBMGMLCJAJCM-UHFFFAOYSA-N 369.292 3.904 0 40 FHAB Cc1ccc(Cn2ccc(NC(=O)c3noc4c3CCCCC4)n2)cc1 2465841 QOEZQZACWCYCAQ-UHFFFAOYSA-N 350.422 3.749 0 40 FHAB CC[C@H]1CCc2c(sc3ncn4nc(CCn5ccc(C)n5)nc4c23)C1 2803880 QGNOPDHCSMXLIF-ZDUSSCGKSA-N 366.494 3.602 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)NC(=O)OCc1ccccc1 6566607 HPTZITWDERKYHE-LBPRGKRZSA-N 362.813 3.602 0 40 FHAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(N)n1-c1ccccc1 6960671 OLABQDWWVDWSCH-UHFFFAOYSA-N 373.869 3.542 0 40 FHAB CCCc1n[nH]c(=S)n1NCc1ccc(-c2ccc([C@H](C)O)cc2)o1 7602351 SZOBUESYDLZYJL-LBPRGKRZSA-N 358.467 3.950 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 29557305 JKROWLKOGOVVST-SNUQEOBHSA-N 372.440 3.780 0 40 FHAB Cc1csc(N(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c2ccccc2)n1 8428367 SCWDYQPJTFGJNT-HNNXBMFYSA-N 369.490 3.907 0 40 FHAB CCc1ccc(CCC(=O)N2CCN(c3ccccc3OC)CC2)cc1 10315346 LSZAZXDRZSGGJS-UHFFFAOYSA-N 352.478 3.539 0 40 FHAB O=C(NCCSc1ccccc1)C1CCN(Cc2ccccc2F)CC1 9063471 ZXXGIHWMRMNJRE-UHFFFAOYSA-N 372.509 3.946 0 40 FHAB CCc1ccc(OCc2ccc(C(=O)Nn3cnnc3SC)cc2)cc1 2794121 VFJGLTGMOFLZTR-UHFFFAOYSA-N 368.462 3.525 0 40 FHAB Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(Cl)cc2Cl)cc1 59211425 RXSODPNKJFMIBH-UHFFFAOYSA-N 358.246 3.714 0 40 FHAB COc1ccc(C(C)=O)cc1CSc1nncn1-c1ccccc1OC 2726519 WXCSENWBHJSRPT-UHFFFAOYSA-N 369.446 3.779 0 40 FHAB O=C(NCCCN1CCOCC1)c1cc2sc3ccccc3c2s1 25326472 UCJFYAPLCODZQW-UHFFFAOYSA-N 360.504 3.568 0 40 FHAB CN1CCN(C(=O)c2cc3ccccc3s2)c2nc3ccccc3nc21 23055317 ADEWOMCPLAAIMF-UHFFFAOYSA-N 360.442 3.941 0 40 FHAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc4ccccc4c3)CC2=O)c1 24834444 DPWFNKRZAKRVPC-KRWDZBQOSA-N 360.413 3.840 0 40 FHAB COCc1cccc(NC(=O)COc2ccc(Br)cc2)c1 29145120 OUBAJZYGOSPALE-UHFFFAOYSA-N 350.212 3.613 0 40 FHAB C[C@@H](Sc1ccccc1)C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 12538793 FMFPVDRCDRPREY-KDOFPFPSSA-N 369.465 3.946 0 40 FHAB CC(C)c1noc(CN[C@@H](C(=O)Nc2ccccc2)c2ccccc2)n1 58283414 JJGFDUOZRNSUGF-GOSISDBHSA-N 350.422 3.663 0 40 FHAB CN(Cc1cccc(O)c1)C(=O)c1cccc(CSc2nccn2C)c1 58355961 XOQYMQMKDNSVPK-UHFFFAOYSA-N 367.474 3.690 0 40 FHAB CCOC(=O)N[C@H]1CCCN(Cc2nc3ccccc3c(C)c2Cl)C1 58357775 SNTHEXYPZHTQAO-AWEZNQCLSA-N 361.873 3.907 0 40 FHAB CSc1cccc(NC(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)c1 12567081 AOCSFZBWTXVELC-QGZVFWFLSA-N 360.454 3.941 0 40 FHAB CCSc1nnc2n(CC)c3c(c(=O)n12)[C@@](C)(CC)Cc1ccccc1-3 2247829 PJBQBWVCJVMDNW-FQEVSTJZSA-N 368.506 3.914 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)NC[C@@]1(N(C)C)CCC[C@@H](C)C1 58426586 HKSXRXAPIILAIC-SPLOXXLWSA-N 357.473 3.923 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCCC3)cc2)cc1C 12604689 IHOFBTFBSOFWGG-UHFFFAOYSA-N 372.490 3.730 0 40 FHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(C)c(C)c3)n2)o1 12612787 UCIKTFDCMIDELA-UHFFFAOYSA-N 369.446 3.908 0 40 FHAB Cc1cccc(-c2nnc(S)n2CCC(=O)N[C@@H](C)c2ccccc2)c1 12783669 QAZQWCRSFALXDO-HNNXBMFYSA-N 366.490 3.810 0 40 FHAB CC(C)c1ccc(S(=O)(=O)NCc2ccc(Cn3cccn3)cc2)cc1 12848689 HTLCJMLEFJCLAY-UHFFFAOYSA-N 369.490 3.533 0 40 FHAB CC(C)c1ccccc1OCC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 12998228 WIRFDKXHOCNMJJ-MRXNPFEDSA-N 364.449 3.647 0 40 FHAB COc1ccc(CN(C)S(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1F 8509606 CNVLHRNWTKOWBZ-MDZDMXLPSA-N 369.845 3.920 0 40 FHAB Cc1ccccc1NC(=O)Cn1nc(COc2ccccc2)oc1=S 8571394 ZYIMRORPBBKRAI-UHFFFAOYSA-N 355.419 3.732 0 40 FHAB O=C(O[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1sccc1C1CC1 64123936 LCNOUJJFSZLNCB-INIZCTEOSA-N 359.422 3.941 0 40 FHAB O=C(Nc1ccon1)c1ccn(COc2ccc(-c3ccccc3)cc2)n1 27972061 PMUOLMUVPVYJIA-UHFFFAOYSA-N 360.373 3.827 0 40 FHAB Cc1cc(C)cc(N2C[C@@H](c3nnc(NC(=O)CC(C)C)s3)CC2=O)c1 13944396 BCAIARCDBGMVSM-AWEZNQCLSA-N 372.494 3.660 0 40 FHAB COc1ccc2[nH]cc(CCNC(=O)c3ccc(SC)cc3OC)c2c1 4487696 ZTKMYGGYIUWDBH-UHFFFAOYSA-N 370.474 3.880 0 40 FHAB biogenic COc1cccc(NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)c1 65562868 UMZWEXSMJYLMKM-UHFFFAOYSA-N 350.205 3.831 0 40 FHAB Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=O)CC(C)(C)C2 5322421 UWZFVKYIXRWQPK-UHFFFAOYSA-N 360.498 3.782 0 40 FHAB CCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)NC1=S 409008062 VNGMBLUTLLOUBK-WJDWOHSUSA-N 372.877 3.997 0 40 FHAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCN(c2cccc(Cl)c2)CC1 5346865 KVTSPXYFIGIWDU-UHFFFAOYSA-N 357.816 3.923 0 40 FHAB COc1ccccc1Nc1ncccc1C(=O)Nc1ccnn1C(C)C 6589537 UGFXDGWDGOFBBZ-UHFFFAOYSA-N 351.410 3.864 0 40 FHAB C[C@H](OC(=O)c1ccc(C2SCCS2)cc1)C(=O)NC1CCCC1 5584867 WDCWOJZKPZGSRW-LBPRGKRZSA-N 365.520 3.769 0 40 FHAB CCn1c(C)cc(C(=O)CSc2ccc(-n3nc(C)cc3C)nn2)c1C 8753334 CALMLWMEMJOQJO-UHFFFAOYSA-N 369.494 3.692 0 40 FHAB COc1cc(C(=S)N2CCCC2)ccc1OC(=O)c1ccccc1F 5743939 GRWUMKNPXBKZJE-UHFFFAOYSA-N 359.422 3.825 0 40 FHAB O=C(CSc1nccn1Cc1ccccc1)Nc1ccc(Cl)cn1 8706409 PLRJOTGHYUZTID-UHFFFAOYSA-N 358.854 3.711 0 40 FHAB Cc1cc(NC(=O)CSc2nc(C(F)(F)F)nc3ccccc23)no1 7160703 RXUNRLFOOWWJPH-UHFFFAOYSA-N 368.340 3.676 0 40 FHAB Cc1ccc([C@H]2OCCC[C@@H]2C(=O)NCc2n[nH]c(=S)n2C(C)C)cc1 80173330 JZRITJPXJBHEEZ-DOTOQJQBSA-N 374.510 3.614 0 40 FHAB CN(CCOc1ccccc1Cl)C(=O)c1cc2ccccc2oc1=O 16175432 PQLSDMDYXKFNIW-UHFFFAOYSA-N 357.793 3.597 0 40 FHAB CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 7842611 AXBNNOWAOSTOLS-UHFFFAOYSA-N 360.479 3.532 0 40 FHAB O=C(CCc1ccc(F)cc1)O[C@H](Cn1cncn1)c1ccc(Cl)cc1 68725409 VZECBGLWDSYKFP-GOSISDBHSA-N 373.815 3.988 0 40 FHAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(F)c(Cl)c1 8075409 OWYCFSDQHZFYGV-VIFPVBQESA-N 355.196 3.890 0 40 FHAB CC(C)C(=O)Nc1cccc(Cn2c(=S)[nH]c3ccccc3c2=O)c1 24952375 VHIFHYFEGLXAIK-UHFFFAOYSA-N 353.447 3.702 0 40 FHAB COCc1nc2ccccc2n1CCc1noc(/C=C/c2ccccc2)n1 16838182 HUDSXOJLMMQYNP-VAWYXSNFSA-N 360.417 3.979 0 40 FHAB COc1ccc(Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc1 9322859 QIZYBHGSPMDGLN-UHFFFAOYSA-N 360.460 3.966 0 40 FHAB CC(C)n1c(SCc2cn3ccccc3n2)nc2ccccc2c1=O 9364151 JVVWYTMMWWEDAV-UHFFFAOYSA-N 350.447 3.917 0 40 FHAB Cc1cccc(OCC(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)c1 66803529 KCKZMVOZOJANGQ-UHFFFAOYSA-N 362.433 3.607 0 40 FHAB Cc1cc(CSc2ncccc2C(=O)NCCc2cccs2)no1 9515854 LGFRINHGEFIWJC-UHFFFAOYSA-N 359.476 3.704 0 40 FHAB Cc1ccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cn1 72330208 BSXNOBWPXKPBGR-UHFFFAOYSA-N 372.730 3.858 0 40 FHAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cn[nH]c1-c1cccs1 72329482 LDOJNZLOHYEPPE-UHFFFAOYSA-N 366.490 3.533 0 40 FHAB CCO[C@@H]1C[C@H](NC(=O)Cc2cc(C(C)=O)ccc2OC)C12CCCCC2 76042190 FYAYWUODQCRQDF-VQTJNVASSA-N 373.493 3.684 0 40 FHAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)NNc1ccccc1 408576312 XEOZTTCACUNRFO-WYMLVPIESA-N 363.442 3.978 0 40 FHAB Cc1cc(Cl)ccc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 22532308 FHCOOXIUAQHXKJ-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)[C@H]2C[C@H]2c2cccnc2)c1 78652810 BSGSSFVNTPFESX-ROUUACIJSA-N 372.490 3.537 0 40 FHAB CCC[C@H](C)NC(=O)c1cnc2scc(-c3ccc(C)cc3)n2c1=O 20581778 FKCSOADKEZSLRV-ZDUSSCGKSA-N 355.463 3.650 0 40 FHAB O=C(/C=C/c1ccc(Cl)cc1)OC[C@@H]1CN(Cc2ccccc2)CCO1 68852315 PHKSYIGBILJVSP-ZBWUASRJSA-N 371.864 3.797 0 40 FHAB COC(=O)c1ccc2nc(NC(=S)N(C(C)C)C(C)C)sc2c1 409189974 OSGXGZGECGZRLE-UHFFFAOYSA-N 351.497 3.899 0 40 FHAB COc1cc(CCN)c(-c2csc(-c3ccc(O)cc3)n2)cc1OC 1531862459 GKGUCMYCRWWBJW-UHFFFAOYSA-N 356.447 3.701 0 40 FHAB O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)c1c[nH]cc1-c1ccccc1 531273611 KVGQRLNUMCYSDX-OAHLLOKOSA-N 367.399 3.969 0 40 FHAB FC(F)(F)c1nnc2sc(Cc3ccc(Br)cc3)nn12 73634355 ZQZFMQQVSFCXKA-UHFFFAOYSA-N 363.162 3.558 0 40 FHAB O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)Nc1cccc2ccccc12 36589711 WDPFDBDPEMMWTF-GOSISDBHSA-N 359.385 3.569 0 40 FHAB COc1ccccc1-c1csc(CN2C(=O)c3ccccc3C2=O)n1 30448446 LQUHJYKHXDJKPX-UHFFFAOYSA-N 350.399 3.615 0 40 FHAB CCCCCC[C@H](O)C/C=C\CCCCCCCC(=O)OC[C@H](O)CO 33832849 HDIFHQMREAYYJW-KLMKZAPQSA-N 372.546 3.891 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2C)c1 31706006 XDQGVFZXAUFTEI-HZPDHXFCSA-N 357.450 3.965 0 40 FHAB O=C(COc1ccccc1Cl)NCc1cccc(CN2CCCC2)c1 32462198 SCKJDUCDDXREDL-UHFFFAOYSA-N 358.869 3.631 0 40 FHAB CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1 224703060 IBLWPPPGFOMAHY-UHFFFAOYSA-N 360.660 3.928 0 40 FHAB Cc1cc(C)c(NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)c(C)c1 222453723 SNBSOJHJVOKJCO-UHFFFAOYSA-N 360.479 3.568 0 40 FHAB Oc1nc(=NC[C@@H](c2ccccc2Cl)N2CCCC2)[nH]c2ccccc12 520989387 BIFZPCWKKFUIPF-SFHVURJKSA-N 368.868 3.660 0 40 FHAB CCCC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NCC 223452189 KMRYLQKUZJAGRQ-FQEVSTJZSA-N 370.468 3.702 0 40 FHAB CCc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)cc1 40130295 GORLORLGVVFABO-RHSMWYFYSA-N 372.900 3.786 0 40 FHAB CC(C)CCCC[C@H](C)NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O 41128028 YWTXWWNVFOIMQN-INIZCTEOSA-N 373.472 3.771 0 40 FHAB Cc1ccc(OCC(=O)Nc2nnc(SCC(C)C)s2)cc1C 225406774 NLJAKYPVVJEWPJ-UHFFFAOYSA-N 351.497 3.921 0 40 FHAB COC1CCN(CCNc2nc(-c3ccccc3)nc3ccccc23)CC1 80250286 ZYQVJDYADHWCQY-UHFFFAOYSA-N 362.477 3.820 0 40 FHAB COc1ccc(CNS(=O)(=O)c2cc(C(C)C)c(C)cc2OC)cc1 95945992 PJZJITACGCZHGP-UHFFFAOYSA-N 363.479 3.614 0 40 FHAB Cc1ccc(CN2CCC[C@]23CCCN(C(=O)CCc2cccnc2)C3)o1 96214593 LUSLUNMMPSDTOX-QFIPXVFZSA-N 367.493 3.573 0 40 FHAB Cc1cccc(-c2nnc(NC(=O)c3cc4ccccc4oc3=O)s2)c1 98212457 QXZSWLXYAACLJT-UHFFFAOYSA-N 363.398 3.872 0 40 FHAB Cc1ccc(CN2Cc3cccn3[C@H](CCOCC3CCOCC3)C2)o1 248052924 BLSMRTOYAXCJDU-HXUWFJFHSA-N 358.482 3.780 0 40 FHAB COC[C@H]1CN(Cc2ccccn2)CC12CCN(Cc1ccsc1)CC2 247898030 VGJPISYSDZRTCU-LJQANCHMSA-N 371.550 3.504 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=O)CN2CCCc3ccccc32)c1 244037331 SWNRKZLCPYMMBR-UHFFFAOYSA-N 358.825 3.518 0 40 FHAB C[C@@]1(Cc2ccccc2)CCCN1C(=O)NCc1cnc2n1CCCC2 585083123 OKADKESRWMXEBE-NRFANRHFSA-N 352.482 3.526 0 40 FHAB CC(C)(CC(=O)N1CCO[C@@]2(CCCOC2)C1)Cc1ccc(Cl)cc1 585082264 UUSNIGYNHSJSRJ-FQEVSTJZSA-N 365.901 3.707 0 40 FHAB CCCN(CCC)c1nn(-c2cccc(C(F)(F)F)c2)nc1C(=O)O 256046933 JDFLNJVSJPINTH-UHFFFAOYSA-N 356.348 3.611 0 40 FHAB Cc1c(C)n(CCC(=O)N2CC[C@H]3NCCCCC[C@@H]32)c2ccccc12 257289462 PYTHFGKGHPOFEF-CTNGQTDRSA-N 353.510 3.781 0 40 FHAB CCCn1nccc1-c1cnc(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)cn1 257282560 OUGJCXFUWFPKME-MRXNPFEDSA-N 369.513 3.577 0 40 FHAB CC[C@](C)(OC)C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1 260812590 HARNXYQCPWWREI-UWJYYQICSA-N 362.514 3.941 0 40 FHAB C[C@@H]1NCCO[C@H]1c1ccc(-c2cccc(CO[C@H]3CCOC3)c2)cc1 629732619 VLNLYLNHJCGMNB-WQTXXOFMSA-N 353.462 3.709 0 40 FHAB O=C(c1[nH]cnc1-c1ccccc1)N1CCc2onc(-c3ccccc3)c2C1 67817322 PXLITKYKVLPXOY-UHFFFAOYSA-N 370.412 3.930 0 40 FHAB Cc1nn(-c2ccc(C(=O)OCC(=O)c3ccc[nH]3)cc2)c(C)c1Cl 9248676 GXIRHUQBIKUBOD-UHFFFAOYSA-N 357.797 3.510 0 40 FHAB COC(=O)c1ccc(CN(C)[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1 48149676 WXQJJZRGCXDTDS-MRXNPFEDSA-N 354.450 3.549 0 40 FHAB C[C@@H](c1ccccc1F)N(Cn1ncc(Cl)c(Cl)c1=O)C1CC1 49979343 IENMDPKBSURAQR-JTQLQIEISA-N 356.228 3.872 0 40 FHAB CC(C)c1ccc(-c2nc(CC(=O)N3CC[C@@H](CCN)C3)cs2)cc1 1523019018 OMCFGQLCSNBOQU-OAHLLOKOSA-N 357.523 3.673 0 40 FHAB CC(=O)Nc1cccc2c1CCN(C(=O)N[C@H](C)c1cccc(F)c1)C2 56365915 IHZJJPJUAZAMMK-CYBMUJFWSA-N 355.413 3.613 0 40 FHAB CCCCN(CCO)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 65575227 KORHJCIJCROHCC-UHFFFAOYSA-N 370.375 3.517 0 40 FHAB CC(C)(C)c1cc(C(=O)N2C[C@H]3CC[C@H]2[C@@H](O)C3)c(O)c(C(C)(C)C)c1 1638277115 DPQNCZXDEQPYMD-KKXDTOCCSA-N 359.510 3.973 0 40 FHAB O=C(C[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(F)cc1 5722344 JBFSDQSHSSHAOT-INIZCTEOSA-N 354.164 3.545 0 40 FHAB O=C(COC(=O)c1cc2c(s1)CCC2)Nc1cccc2ncccc12 11508210 XSQYIOMBNIMBTC-UHFFFAOYSA-N 352.415 3.581 0 40 FHAB O=C(N[C@H](c1ccccc1)c1cccnc1)[C@@H]1Cc2cc(Cl)ccc2O1 12148262 HAEKNPQYHWQLET-VQTJNVASSA-N 364.832 3.944 0 40 FHAB O=C(CCn1nnc2ccccc21)NC1(c2cccc(F)c2)CCCC1 12155488 OAFANXQTGCDNDG-UHFFFAOYSA-N 352.413 3.546 0 40 FHAB Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)N[C@@H](C)C(=O)O 12321402 GWUIUTXWBDSPQM-ZETCQYMHSA-N 359.234 3.628 0 40 FHAB O=C(/C=C/c1ccc(F)cc1)NC(=S)N1CCCC[C@H]1c1cccnc1 13005306 BLZOAXFSPIOOQR-MZEUMTGBSA-N 369.465 3.862 0 40 FHAB O=C(Nc1ccccc1I)c1cc(F)cc(F)c1 14244377 RGRYVSKHLFJUQK-UHFFFAOYSA-N 359.113 3.822 0 40 FHAB Cc1cc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)Cc2ccccc2C)on1 19237055 AJDWBABXCPQSFT-KRWDZBQOSA-N 350.422 3.588 0 40 FHAB CCC(=O)N1CCC[C@](Cc2ccccc2-c2ccc(C)cc2)(C(N)=O)C1 19498656 LTIRBMDZZLWZKI-HSZRJFAPSA-N 364.489 3.709 0 40 FHAB CCn1nc2c(c1C(=O)Nc1cccc(CN3CCCC3)c1)CCCC2 19524112 MBCGXDXPXIJBJV-UHFFFAOYSA-N 352.482 3.630 0 40 FHAB COc1cccc(NC(=O)CSc2nc(-c3ccccc3Cl)n[nH]2)c1 19928139 REGRTHBYGOGWRO-UHFFFAOYSA-N 374.853 3.865 0 40 FHAB Cc1ccc(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)c(F)c1 7927354 IXNXCOGMCBYUGI-OAHLLOKOSA-N 362.470 3.815 0 40 FHAB COc1cc(/C=C2/SC(=S)N=C2O)cc(Br)c1OC 15933440 BKTPRQFVVNUGJZ-WEVVVXLNSA-N 360.254 3.795 0 40 FHAB O=C(N[C@@H]1CC[C@@H]2OCCO[C@H]2C1)c1cccc(Oc2ccc(F)cc2)c1 244986048 JDEVGXMCDHCZRB-UXPWSPDFSA-N 371.408 3.684 0 40 FHAB Cc1csc(C(=O)N2CCC[C@]3(CCCN(Cc4cccnc4)C3)C2)c1 2056223225 JNXZFWPKKDPIIA-NRFANRHFSA-N 369.534 3.970 0 40 FHAB Cc1cccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1C 4374344 ZOKMJRZTKATGAY-OAHLLOKOSA-N 357.841 3.884 0 40 FHAB CCOC(=O)Cn1ccc(NC(=O)c2sc3ccccc3c2Cl)n1 4770335 NXBOBXAFPLYBAJ-UHFFFAOYSA-N 363.826 3.567 0 40 FHAB Cc1cccc(C(=O)N(c2cc(C)cc(C)c2)[C@@H]2C=CS(=O)(=O)C2)c1 5082578 WTGMCLDMFHHWML-GOSISDBHSA-N 355.459 3.569 0 40 FHAB Brc1cccc(CN2CCC(COc3cnccn3)CC2)c1 1849708265 ROFHWWATQDXIKI-UHFFFAOYSA-N 362.271 3.530 0 40 FHAB Cc1c(Cl)cccc1C(=O)N1Cc2cn(C)nc2[C@H](COCC2CC2)C1 2055751288 FVWJNCYRJFGYFD-INIZCTEOSA-N 373.884 3.548 0 40 FHAB CCN(C(=O)[C@H](C)S(=O)(=O)Cc1cccc(Cl)c1)c1ccccc1 40105972 TWXIQNXPPIXQDO-AWEZNQCLSA-N 365.882 3.696 0 40 FHAB CC(=O)c1sc(NC(=O)Cc2c(C)nn(C)c2C)nc1-c1ccccc1 11204546 BGTMSJBJFNQGOX-UHFFFAOYSA-N 368.462 3.544 0 40 FHAB CC(C)[C@@H](C)NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 3536348 UAQLZMWJTXWEDJ-CQSZACIVSA-N 366.417 3.812 0 40 FHAB C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccco1)c1cc2ccccc2o1 45873391 GGXONOCKBPHKFH-ZFWWWQNUSA-N 352.390 3.508 0 40 FHAB CNC(=O)c1cccc(CNCc2ccc(OCc3ccccc3)cc2)c1 45822294 KBOXDDXIQBUHNC-UHFFFAOYSA-N 360.457 3.915 0 40 FHAB Cc1ccc([C@@H](CC(=O)N[C@H]2C[C@@H](C)N(C)C[C@@H]2C)c2ccco2)cc1 102683673 ALGBIQNSNSQKKV-CUDHKJQZSA-N 354.494 3.955 0 40 FHAB CCCCN(C(=O)c1sc2ncn(C)c(=O)c2c1C)c1ccccc1 29475768 OGJXGAWDNIKSEM-UHFFFAOYSA-N 355.463 3.750 0 40 FHAB O=C(COc1ccc(Cl)cc1)N1CCCC[C@@H]1CCN1CCCCC1 21170402 UOVKCZGELLDUKP-GOSISDBHSA-N 364.917 3.976 0 40 FHAB CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)n1nc(C)cc1C 41091888 USRDHGKYRPZHLO-UHFFFAOYSA-N 350.484 3.823 0 40 FHAB CCCCN(CCCC)C(=O)c1sccc1NC(=O)c1cnccn1 67335911 NILWCAHCKSSVKT-UHFFFAOYSA-N 360.483 3.833 0 40 FHAB C[C@@H](OC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)C(N)=O 2629937 VCIWVNCEYVGOQD-LLVKDONJSA-N 354.793 3.586 0 40 FHAB CC[C@@H](NC(=O)CCc1nc(-c2cccnc2)no1)c1ccc(C)cc1 32824646 SZVCZCWCVKNXBR-QGZVFWFLSA-N 350.422 3.640 0 40 FHAB CCCC[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2ON1c1ccccc1 102735781 MVNVHGOJCFGFJL-GUDVDZBRSA-N 368.408 3.694 0 40 FHAB COc1ccc(CC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 11999846 BCIICLAGQISZEO-UHFFFAOYSA-N 350.418 3.785 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1noc(-c2ccc(C)cc2)n1 21800560 WSGBOBXSCQUVNC-OAHLLOKOSA-N 355.369 3.980 0 40 FHAB C[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)[C@H]1C[C@H]2CC[C@H]1C2 104004823 PAMHQJDEOXYCIL-YQFWSFKMSA-N 360.523 3.541 0 40 FHAB Cc1cc(OCC(=O)Nc2ccc(N(C)C)cc2)ccc1Br 850446 KXQIXEDMCFVMMW-UHFFFAOYSA-N 363.255 3.841 0 40 FHAB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)c1cccn1C 7150819 LPOGLSNWTLRHOL-UHFFFAOYSA-N 361.394 3.913 0 40 FHAB COc1ccc(-c2noc(CCC(=O)Oc3c(C)cccc3C)n2)cc1 24950327 BKRALARGKOGFFC-UHFFFAOYSA-N 352.390 3.900 0 40 FHAB COc1ccc(CCC(=O)N(C)[C@@H]2CCc3ccccc32)c(OC)c1OC 55114810 HHQFKOOYYLAZJV-GOSISDBHSA-N 369.461 3.791 0 40 FHAB O=C(CCc1nc2ccccc2[nH]1)N[C@H]1CCSc2c(F)cccc21 12525076 HQYWCPVEZVLULN-AWEZNQCLSA-N 355.438 3.988 0 40 FHAB COc1cccc(-c2n[nH]c(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c1 64875494 PNCZKQAXDLJPNV-UHFFFAOYSA-N 358.442 3.595 0 40 FHAB CCN1CCC[C@H]1CN(Cc1cccnc1)Cc1c(OC)cccc1OC 22931732 KYVMNVNFDUKVQJ-IBGZPJMESA-N 369.509 3.585 0 40 FHAB CC(C)C[C@@H](CNC(=O)N[C@@H](C)c1cc2ccccc2o1)N1CCOCC1 26303965 KIYNBCODIVZGBW-WMZOPIPTSA-N 373.497 3.540 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCN(c2ccccc2O)CC1 35354901 VUOUHXNGQXGUIZ-INIZCTEOSA-N 363.461 3.575 0 40 FHAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)cc2)cc1 25368598 ZKOYIGFNDCOZBU-CYBMUJFWSA-N 359.447 3.991 0 40 FHAB CCOC(=O)c1sc(NC(=O)c2ccc(Br)o2)cc1C 3244602 WUIKFGUMMDPDEU-UHFFFAOYSA-N 358.213 3.841 0 40 FHAB C[C@H](CCc1ccc(O)cc1)NC(=O)NCCCc1nc2ccccc2[nH]1 27362782 LRGOCZZVRBCUQZ-OAHLLOKOSA-N 366.465 3.522 0 40 FHAB O=C(Nc1ccc(Cc2ccncc2)cc1)N1CCC[C@H](N2CCCC2)C1 58265893 PIGASMKQMIEODG-NRFANRHFSA-N 364.493 3.765 0 40 FHAB Cc1nc2ccccc2nc1NCc1cccc(NC(=O)[C@H]2CCCO2)c1 58358177 PVPMUYXQSLTOHS-LJQANCHMSA-N 362.433 3.668 0 40 FHAB O=c1cc(CSc2ncc(-c3ccc(F)cc3)o2)nc2sccn12 10714923 PJGMCLYYTHBECZ-UHFFFAOYSA-N 359.407 3.842 0 40 FHAB O=C1COc2ccc(-c3csc(NCCc4ccccc4)n3)cc2N1 3351273 GFHPMWFECCQAHV-UHFFFAOYSA-N 351.431 3.796 0 40 FHAB COc1cccc(-c2nn(CN3CCc4sccc4C3)c(=S)n2C)c1 12773878 AEGXWUWAONPNCZ-UHFFFAOYSA-N 372.519 3.704 0 40 FHAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1cccc(Cl)c1 7577436 JUOAUNJCNNCARE-MRVPVSSYSA-N 354.888 3.885 0 40 FHAB COc1cccc(N2C[C@H](C(=O)Nc3c(C)cc(C)cc3Cl)CC2=O)c1 12900571 NOSSWBQCSCGIQU-CQSZACIVSA-N 372.852 3.957 0 40 FHAB CCNC(=O)COc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 12905259 KTYNLIGDQACGKU-UHFFFAOYSA-N 374.440 3.706 0 40 FHAB CC(=O)N[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 3560931 SBFGYRKKWVXCBY-INIZCTEOSA-N 366.339 3.791 0 40 FHAB O=C(Nc1cc2c(cc1Br)OCCO2)c1ccc(F)cc1 3554078 BRHJCHPUDFGHSW-UHFFFAOYSA-N 352.159 3.612 0 40 FHAB Cc1cc(Cl)ccc1Nc1nc(NC[C@H]2CCCO2)nc2nccnc12 13010890 MFUVXYWTRVEAHM-CYBMUJFWSA-N 370.844 3.716 0 40 FHAB CC(C)(C)OC(=O)N1CCC(N(C(=O)[C@@H]2CCCO2)c2ccccc2)CC1 63442131 ZIYSBGYPYBLEKG-SFHVURJKSA-N 374.481 3.598 0 40 FHAB Cc1cc(=O)c(C(=O)N(C)Cc2cccs2)nn1-c1ccccc1Cl 7814241 NGWFJTHDYKWIFS-UHFFFAOYSA-N 373.865 3.528 0 40 FHAB Cc1cccc(N2CCN(C(=O)[C@@H]3COc4ccc(Cl)cc4C3)CC2)c1 16297607 HRKWTSDWZLSBIK-KRWDZBQOSA-N 370.880 3.548 0 40 FHAB Fc1ccc(F)c(-c2nnc3sc([C@@H]4COc5ccccc5O4)nn23)c1 13692826 XLJCJJUMPVCHIT-AWEZNQCLSA-N 372.356 3.644 0 40 FHAB CC1(C)CC(NCc2cc(Cl)c3c(c2)OCCCO3)CC(C)(C)N1 7984384 FUMBMTYCNLEWBB-UHFFFAOYSA-N 352.906 3.900 0 40 FHAB C[C@H]1c2cccc(C(=O)Nc3ccc(N4CCOCC4)cc3)c2O[C@@H]1C 8193379 ZHFOXEVZTHBWOS-HUUCEWRRSA-N 352.434 3.660 0 40 FHAB Cc1cc(Br)c(S(=O)(=O)NCc2cccs2)cc1C 8132603 NCYGDRBCXAPAEX-UHFFFAOYSA-N 360.298 3.606 0 40 FHAB C[C@@H](NC(=O)c1ccc(Cn2cncn2)cc1)c1ccc2ccccc2c1 14077253 GXFSOMJKESEUME-MRXNPFEDSA-N 356.429 3.971 0 40 FHAB COc1ccc(OC)c(NS(=O)(=O)c2cc(Cl)sc2Cl)c1 14093805 UOIMFNVLWXXNDP-UHFFFAOYSA-N 368.263 3.873 0 40 FHAB Cc1nc(NCC(=O)N2CCCC2)c2c(-c3cccs3)csc2n1 14244850 BXTOMQOHIHWJDE-UHFFFAOYSA-N 358.492 3.763 0 40 FHAB COc1cc(OC)c(CN[C@H](C)c2cc(OC)ccc2OC)c(OC)c1 8268268 FYEGAWDEURNYTC-CYBMUJFWSA-N 361.438 3.580 0 40 FHAB COc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 6993810 XQUIOTIYRGYPEH-UHFFFAOYSA-N 354.387 3.800 0 40 FHAB O=C(COC(=O)CC1CCCCC1)Nc1cccc(Br)c1 6932822 UWXWLMAKVVXKAY-UHFFFAOYSA-N 354.244 3.901 0 40 FHAB Cc1noc([C@@H](C)NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 72049593 KQKGHQMFLKNNSM-ZCFIWIBFSA-N 367.249 3.907 0 40 FHAB CC(C)N(C(=O)[C@@H](C)OC(=O)Cc1cccc(C(F)(F)F)c1)C(C)C 69929478 ZBKVSFFAEHUZNU-CYBMUJFWSA-N 359.388 3.825 0 40 FHAB Cc1ccccc1N1C(=O)C[C@@H](N2CCC(Cc3ccccc3)CC2)C1=O 18249791 XXYIARFTVHCKHX-OAQYLSRUSA-N 362.473 3.582 0 40 FHAB O=C1CSc2ccc(C(=O)OCc3cc(-c4ccccc4)on3)cc2N1 18469115 LHXDPTCQEBVWGD-UHFFFAOYSA-N 366.398 3.743 0 40 FHAB COc1cccc(C(=O)Nc2nnc(CCCc3ccccc3)s2)c1 9227164 IQHLMCMKMQDDDQ-UHFFFAOYSA-N 353.447 3.974 0 40 FHAB CCN(CC)c1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 9221294 ZMRYWCJNQUVWMR-ZDUSSCGKSA-N 353.422 3.505 0 40 FHAB CC(C)COc1ccccc1[C@H](CC(C)C)Nc1ccc2nnnn2n1 72307343 XXCHHBIZVGVUSH-INIZCTEOSA-N 354.458 3.753 0 40 FHAB COc1cc(CNC[C@H](c2ccco2)N2CCCC2)cc(Cl)c1OC 78940980 AQJFTYMDOIQEOL-MRXNPFEDSA-N 364.873 3.877 0 40 FHAB CN1CC[C@H](Nc2nc(-c3ccccn3)nc3c2CCC3)[C@@H]1c1ccccc1 89375152 ARNPQFIPIHRIGQ-FPOVZHCZSA-N 371.488 3.885 0 40 FHAB COc1ccc(-c2cnc3n2C[C@H]2CN(Cc4ccsc4)C[C@@H]2C3)cc1 306138487 RYSZQEBCAVUKDB-ZWKOTPCHSA-N 365.502 3.925 0 40 FHAB O=C(O)c1ccc(NS(=O)(=O)c2ccc(-c3cccc(F)c3)cc2)cc1 32918508 UONHUHLBHUDTKA-UHFFFAOYSA-N 371.389 3.992 0 40 FHAB CCOc1cc(/C=C/C(=O)Nc2cccc(C(=O)O)c2C)ccc1OC 408604727 HYJGBMDMIWFRQO-PKNBQFBNSA-N 355.390 3.752 0 40 FHAB Cc1cccc(CNC(=O)c2cccc(I)c2)c1 31107442 RRBJBPIQJOOKCU-UHFFFAOYSA-N 351.187 3.530 0 40 FHAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1 30867621 SABPNMJUZZHYGV-SOLBZPMBSA-N 366.933 3.982 0 40 FHAB CSc1nc(Cl)cc(NC[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 72203092 ZHLFISQLYRRURH-JTQLQIEISA-N 358.895 3.663 0 40 FHAB C[C@]12Cc3cnc(N)nc3C[C@@H]1CC[C@@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)CC[C@H]12 33736329 NPDFNGCPXMLQER-RXMMSFKSSA-N 355.526 3.767 0 40 FHAB CC(C)(C)CC(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1 56945308 OACCKUMPPNFVMO-IBGZPJMESA-N 369.509 3.695 0 40 FHAB Cc1nc(C)c2c(C)c(C(=O)Nc3cccc(C(=O)N(C)C)c3)sc2n1 32754660 SBASCWIRJYPDNQ-UHFFFAOYSA-N 368.462 3.571 0 40 FHAB Cc1ccc(Nc2ccc(NC(=O)Cc3noc4ccccc34)cc2)nn1 36705714 ZMUYRIIJVYYTFW-UHFFFAOYSA-N 359.389 3.851 0 40 FHAB O=C(NCCc1ccccc1)N(CC1CC1)C[C@H]1CCCN2CCCC[C@H]12 1565520596 XSWRUVVOPZVZMA-FGZHOGPDSA-N 369.553 3.915 0 40 FHAB biogenic Cc1ccccc1Oc1cncc([C@@H]2CCCN(C(=O)c3ccncc3)C2)n1 72362127 VZHFXEVKWXMEFV-GOSISDBHSA-N 374.444 3.992 0 40 FHAB CCOc1ccc(NC(=O)Cn2cc(-c3ccccc3)c(N(C)C)n2)cc1 62006962 JSBVYWZIIJFWLM-UHFFFAOYSA-N 364.449 3.654 0 40 FHAB Cc1n[nH]cc1C(=O)N1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 72349746 FSDQISRXANVMAR-HNNXBMFYSA-N 364.424 3.939 0 40 FHAB CCCn1c(SCC(=O)N2CCCC2)nnc1-c1ccc(Cl)cc1 72204942 NSCUIACCNZYKHJ-UHFFFAOYSA-N 364.902 3.723 0 40 FHAB CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccccc1F 71980473 YINKQUUKILDXTH-WGAFOPHPSA-N 363.429 3.684 0 40 FHAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C)c1 224585508 GRLNQMAUXKODRD-MOPGFXCFSA-N 364.474 3.606 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(F)c(F)c2)cc1 225266661 ZFMQOJDHYLKKGH-LLVKDONJSA-N 352.406 3.727 0 40 FHAB CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(O)c3n2)COC1 136762921 KOHFPNHJRQSOFQ-UHFFFAOYSA-N 361.401 3.695 0 40 FHAB Cc1ccc(OCCCC(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1 225043323 RDMRTCXTGHPKJT-UHFFFAOYSA-N 356.447 3.706 0 40 FHAB COC(=O)c1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)cc1 40266462 CESUCEIEUZPXAN-CQSZACIVSA-N 365.364 3.922 0 40 FHAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 225101606 SMIFHPDQJZBRMG-FQEVSTJZSA-N 370.468 3.702 0 40 FHAB CCCCc1ccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1 222414065 SDDVWHBWQPYZPU-UHFFFAOYSA-N 360.479 3.677 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)C1CCN(Cc2ccccc2F)CC1 223340150 VFRVBEKEALMGGI-INIZCTEOSA-N 370.468 3.924 0 40 FHAB O=C(CCc1ccc2c(c1)OCCO2)NCCCc1ccccc1Cl 222642035 GLSVHXKBLUSIJP-UHFFFAOYSA-N 359.853 3.793 0 40 FHAB COc1cc(C)c(S(=O)(=O)NCc2cccc(OC(C)C)c2)cc1C 224148687 NRZMBHRGBWNQKI-UHFFFAOYSA-N 363.479 3.578 0 40 FHAB Cc1ccc(-c2nnsc2C(=O)Nc2ccc3c(c2)OCCO3)cc1 225774882 VBRAENGRAYTYPH-UHFFFAOYSA-N 353.403 3.537 0 40 FHAB CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NC(=O)OCc1ccccc1 98213817 XQOGZNOEXSAKIZ-MRXNPFEDSA-N 360.454 3.702 0 40 FHAB Cc1ccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1 97994286 SRHWLIMPAWAMBH-XMHGGMMESA-N 371.400 3.878 0 40 FHAB O=C(N[C@H]1CCCc2c1[nH]c1ccccc21)c1cc(=O)[nH]c2ccccc12 96231750 XHBPKCCCRKNCQV-IBGZPJMESA-N 357.413 3.817 0 40 FHAB O=C(c1cccnc1)N1CC[C@@H](OCC2CC2)[C@@H](Cc2ccccc2)C1 96110291 PGJDVVARYDDBFA-LEWJYISDSA-N 350.462 3.582 0 40 FHAB Cc1cccc(COC[C@@H]2C[C@H]3OCCN(Cc4ccc(C)s4)[C@@H]3C2)n1 96055546 XODLUZWKOYXKFN-IOMROCGXSA-N 372.534 3.956 0 40 FHAB CN(C)C(=O)c1cc(NC(=O)N2CC3(CCC3)[C@H]2c2ccccc2)ccn1 583602057 SVDZYDTVOBKIOB-GOSISDBHSA-N 364.449 3.543 0 40 FHAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C)CC2)on1 257312992 UQOHPKXPRIIPFQ-YYQUZTFQSA-N 368.481 3.794 0 40 FHAB COC(C)(C)C(=O)N1CCC[C@H](c2ccnc(Nc3cccc(C)n3)c2)C1 257225631 FHBWYFOYMZKCMO-KRWDZBQOSA-N 368.481 3.660 0 40 FHAB Cn1cncc1-c1cccc([C@@H]2CCCN2Cc2cccc(C(=O)O)c2)n1 257279315 OGAMLUBVOWXLGC-IBGZPJMESA-N 362.433 3.517 0 40 FHAB Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)nc2O)CCN1 1631308199 JPQZARZIBMFZAH-NRFANRHFSA-N 373.456 3.549 0 40 FHAB Cc1[nH]c2ccc(C(=O)N3CCN([C@H](C)c4cccnc4)CC3)cc2c1C 604034495 JUSTUSDWWNDBNC-QGZVFWFLSA-N 362.477 3.699 0 40 FHAB O=C(NC[C@@H](c1ccco1)n1cccn1)Nc1ccccc1C(F)(F)F 575614631 ZJJUEIADTJQSET-AWEZNQCLSA-N 364.327 3.906 0 40 FHAB Cc1cnc(Nc2cccc([C@@H]3CCCN(Cc4cnn(C)c4)C3)n2)s1 585262560 FFSCTAMYSNGRSE-MRXNPFEDSA-N 368.510 3.703 0 40 FHAB CC(C)(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(Cc3nccs3)C[C@H]12 585109526 VZSJKUVLCHUQNZ-XYJFISCASA-N 355.507 3.576 0 40 FHAB Cc1nc2ccccc2n1CC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 55946464 PSAUNNMCCLLIAD-PZJWPPBQSA-N 367.424 3.520 0 40 FHAB CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1cc(F)cc(C(F)(F)F)c1 1772714638 BITRVNYUZLRNPB-GFCCVEGCSA-N 365.323 3.755 0 40 FHAB CC1(C)O[C@H]2CO[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2O1 5063345 ZTORIHMLNGCWDS-BQJUDKOJSA-N 370.445 3.665 0 40 FHAB CCCN1C(=O)[C@](O)(CC(=O)c2ccc(F)cc2)c2cc(Cl)ccc21 5323494 YSMZIBMPPRTWIZ-IBGZPJMESA-N 361.800 3.696 0 40 FHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)C4CC4)CC3)cc2N1 12181193 QZXJKKZTTNCZRK-UKRRQHHQSA-N 370.419 3.697 0 40 FHAB Cc1cc(-c2cnc(NCCN3CCCC3)nc2-c2ccc(C)o2)on1 12186466 ZLLKCCJUCUPMPO-UHFFFAOYSA-N 353.426 3.516 0 40 FHAB Cc1ccc(NC(=O)Cn2cnc3c(sc4ccccc43)c2=O)cc1F 17121119 ANJWRSOVJYYWJB-UHFFFAOYSA-N 367.405 3.697 0 40 FHAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1nc2ccccc2cc1C(N)=O 19083231 YBRJOAMHCBUTRS-INIZCTEOSA-N 355.438 3.796 0 40 FHAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)c2cnn(C)c2)n1 19691320 XACUSQLYSRPCFU-FQEVSTJZSA-N 364.424 3.907 0 40 FHAB COc1cccc(OC)c1[C@H](O)c1nc(-c2ccncc2)cc2ncccc12 19717992 UVGHYDWJQMAWRT-QFIPXVFZSA-N 373.412 3.791 0 40 FHAB CCc1ccc(CC(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1 156050162 WJRNLYOTVWFICB-UHFFFAOYSA-N 355.825 3.811 0 40 FHAB O=C(O)c1ccc(-c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)o1 226353139 LCASNFBKKFXXCC-UHFFFAOYSA-N 361.350 3.585 0 40 FHAB CC(C)N1CCC(CNC(=O)COc2ccc(Cl)cc2Cl)CC1 12442784 KYBXUOFFOXAWHD-UHFFFAOYSA-N 359.297 3.609 0 40 FHAB COC1(c2nc(C3CC3)no2)CCN(Cc2ccccc2OC(C)C)CC1 583615970 YTPYWCBSCGBQPG-UHFFFAOYSA-N 371.481 3.872 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cc3ccccc3[nH]2)c1 5492281 UQUNOAPPJUHKTL-ZDUSSCGKSA-N 350.374 3.555 0 40 FHAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN1c1ncnc2ccccc12 11246812 NYQOAVZGFANIHP-KRWDZBQOSA-N 352.825 3.891 0 40 FHAB Cc1cccc(Nc2cc(C)nc([C@@H]3CCCCN3Cc3cc[nH]n3)n2)n1 1848353802 NFRBRSQSFZXWIE-KRWDZBQOSA-N 363.469 3.682 0 40 FHAB CN(C)[C@H](CNC(=O)c1cc2ccccc2cc1O)c1cccc(F)c1 29836724 JXGSBDPJAIBMGB-LJQANCHMSA-N 352.409 3.717 0 40 FHAB CC(C)COC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CC(F)C2)CC1 2056226728 YRDVDZBLRWVCDZ-ABHNRTSZSA-N 368.493 3.620 0 40 FHAB COC(=O)c1ccc2c(=O)n(-c3ccc(C(C)C)cc3)c(=S)[nH]c2c1 7280597 GKGXTNYBUKKBGG-UHFFFAOYSA-N 354.431 3.958 0 40 FHAB Cc1nn(Cc2cccc(F)c2)c(=O)c2c1cnn2-c1cccc(Cl)c1 12228156 OKEXMYQSHWAWCN-UHFFFAOYSA-N 368.799 3.731 0 40 FHAB Cc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccn(C)n3)sc2c1 12444430 JKJXOZAKOAMZPC-UHFFFAOYSA-N 363.446 3.580 0 40 FHAB O=C(NCc1c(-c2ccccc2)nc2n1CCS2)c1cccc(F)c1 17191510 ZNKBWFGQQZULMD-UHFFFAOYSA-N 353.422 3.725 0 40 FHAB O=C(Cc1ccccc1Cl)NC[C@@H]1CCCN1c1nc2ccccc2o1 206771505 SZWQLKQFKPBXHG-HNNXBMFYSA-N 369.852 3.809 0 40 FHAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC(c3nc4ccccc4cc3N)CC2)C1 12087776 XNJXIBGTHGHUMH-QZTJIDSGSA-N 367.493 3.728 0 40 FHAB CCOC(=O)Nc1nc(CC(=O)Nc2ccc(OC)c(Cl)c2)cs1 12440512 RGYPMXKVRVCGKI-UHFFFAOYSA-N 369.830 3.555 0 40 FHAB O=C(Nc1cccc(Cl)c1Cl)N1CCN(c2nccs2)CC1 40097552 SKGTXZPRQCBJFX-UHFFFAOYSA-N 357.266 3.804 0 40 FHAB O=C(Nc1ccccc1O)c1cn(-c2ccccc2)nc1-c1cccnc1 40019989 CUEXREIKMNCKHQ-UHFFFAOYSA-N 356.385 3.892 0 40 FHAB COc1cccc(CN2CCC(C(=O)N3CCCc4ccccc43)CC2)c1 30946801 GRMIHYBJYFAZFO-UHFFFAOYSA-N 364.489 3.887 0 40 FHAB Cc1nn(C)c(C)c1CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 11210052 AOSFWELEIBLVNW-UHFFFAOYSA-N 360.870 3.995 0 40 FHAB CCC(=O)Nc1sc(C(=O)Nc2ccccc2C)c(C)c1C(=O)OC 871382 IOPPURTYBMMUIC-UHFFFAOYSA-N 360.435 3.752 0 40 FHAB O=C1Oc2ccccc2[C@H]2c3sc(=O)[nH]c3S[C@@H](c3ccccc3)[C@H]12 4279891 QBSQXDUSRCMDLO-KFWWJZLASA-N 367.451 3.951 0 40 FHAB N=c1c2c(ncn1Cc1ccco1)Oc1cc(O)ccc1[C@@H]2c1ccco1 101365199 LRVQCMZXVNJDFV-QGZVFWFLSA-N 361.357 3.588 0 40 FHAB CCCOc1c(Br)cc(/C=C2/SC(=O)NC2=O)cc1OC 6880605 LTOBYYOYHGOIJL-YRNVUSSQSA-N 372.240 3.570 0 40 FHAB CCCn1nnnc1NCc1ccc(OCc2ccccc2C)c(OC)c1 7263385 FHAGJOMYQDFLFE-UHFFFAOYSA-N 367.453 3.591 0 40 FHAB Cc1ccc(-c2noc(CNC(=O)COc3cccc4ccccc34)n2)cc1 7759281 FLWINMLCECRFQE-UHFFFAOYSA-N 373.412 3.893 0 40 FHAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ccc(F)c(F)c1 7853679 GRAYVHLHANLZRP-SSDOTTSWSA-N 356.423 3.510 0 40 FHAB C[C@H]1CN(c2ccc(NC(=O)COC3CCCCC3)cc2F)C[C@@H](C)O1 46070084 PQQCOMSLHAJYCY-GASCZTMLSA-N 364.461 3.727 0 40 FHAB CC(=O)Nc1c(C)cccc1C(=O)OCc1cc(=O)oc2cc(C)ccc12 11812040 SZYVJWAPCDWGFL-UHFFFAOYSA-N 365.385 3.725 0 40 FHAB Cc1cc(C(=O)NCC[C@H]2CCCO2)cc(C)c1OCc1cccnc1 32626797 GZOZWDVFKRFCBB-LJQANCHMSA-N 354.450 3.576 0 40 FHAB COC(=O)c1nc2n(n1)[C@@H](c1ccccc1)C=C(c1ccc(Cl)cc1)N2 102138111 PVILLTRGKFQJMC-MRXNPFEDSA-N 366.808 3.774 0 40 FHAB CCOc1cccc(CNn2c(-c3ccccc3OC)n[nH]c2=S)c1 8325289 HGTSXVREPKZFRE-UHFFFAOYSA-N 356.451 3.759 0 40 FHAB COC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1 9480194 WBRAHAFTUUXBSP-QRYOHXEKSA-N 370.445 3.804 0 40 FHAB COc1ccc(Cl)cc1NC(=S)N1CCN(c2ccccc2)CC1 2700599 QKBXSEXTJRQPRJ-UHFFFAOYSA-N 361.898 3.868 0 40 FHAB CN1CCN(Cc2cccc(C(=O)c3ccc(Cl)cc3Cl)c2)CC1 22028066 YJICFXIPBQLDLS-UHFFFAOYSA-N 363.288 3.972 0 40 FHAB CCc1cccc2c(C(=O)COC(=O)c3ccn(-c4ccccc4)n3)c[nH]c12 58731907 MZFHIJXSWAHMFC-UHFFFAOYSA-N 373.412 3.956 0 40 FHAB C[C@@H]1Oc2c(C(=O)N3CCN(Cc4ccccc4)CC3)cccc2[C@@H]1C 22696536 ULQMHNYBKBCHFS-SJORKVTESA-N 350.462 3.529 0 40 FHAB CN(CCOc1ccccc1)C(=O)c1c[nH]c(=S)n1-c1ccccc1 12533854 MLAPHQORCGJDRF-UHFFFAOYSA-N 353.447 3.686 0 40 FHAB CCOCCOCc1cccc(CNC(=O)c2cccc3cccnc23)c1 42940085 YCUISVBZVKMECR-UHFFFAOYSA-N 364.445 3.718 0 40 FHAB O=C(C=C(C1CC1)C1CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 89768307 YPXAQADGYXHGIC-UHFFFAOYSA-N 362.355 3.971 0 40 FHAB O=C1[C@H]2Cc3c([nH]c4ccccc34)CN2C(=O)N1c1cccc(Cl)c1 1295717 DZEHSYPOSQRJQI-QGZVFWFLSA-N 351.793 3.715 0 40 FHAB biogenic COc1ccc(-c2nc3c4c5c(sc4ncn3n2)COC(C)(C)C5)cc1 1245753 QCPMOSFMPSEUJJ-UHFFFAOYSA-N 366.446 3.866 0 40 FHAB CN(Cc1ccc(Br)cc1)S(=O)(=O)/C=C/c1ccccc1 3445972 QOSSMXWZBUNBBS-VAWYXSNFSA-N 366.280 3.882 0 40 FHAB COc1ccccc1CCC(=O)NCC1(c2cccc(F)c2)CCOCC1 55451249 PSUGFTYKKOAJHO-UHFFFAOYSA-N 371.452 3.632 0 40 FHAB CN(Cc1nccn1C)C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 12550088 NVPJZCVWKXMSQA-UHFFFAOYSA-N 371.444 3.545 0 40 FHAB CCCCCN1C(=O)[C@H](C(=O)OCC)[C@H](C(C)C)n2c1nc1ccccc12 20675512 OUWGCJRMTRGRLZ-MSOLQXFVSA-N 371.481 3.950 0 40 FHAB CCN(C[C@@H]1CCOC1)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 56982679 RWDBVDHPGDQJQR-LBPRGKRZSA-N 368.264 3.678 0 40 FHAB CC(C)Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NC(=O)NC2CCCC2)cc1 28877792 AIJWKZCRCIIXAR-CVEARBPZSA-N 359.514 3.693 0 40 FHAB COc1ccc([C@@H]2CCCCCN2CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 57292082 AFKNQPGFUQEQFS-ZCNNSNEGSA-N 368.477 3.521 0 40 FHAB C[C@@H](NCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1 57475462 OTCVIFWBWHMHMR-CQSZACIVSA-N 371.868 3.756 0 40 FHAB Clc1ccc(-c2cnc(CN3CCN(c4nccs4)CC3)o2)cc1 57679913 RKFKHHNUKWWNMC-UHFFFAOYSA-N 360.870 3.774 0 40 FHAB C[C@@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccncc1 27408142 QAXGRDQMQMOBRH-GFCCVEGCSA-N 357.360 3.825 0 40 FHAB CN(Cc1ccccc1Cl)C(=O)CCCn1c(=O)oc2ccccc21 3367762 IPPQWQZDSFNMOT-UHFFFAOYSA-N 358.825 3.687 0 40 FHAB O=C(NC[C@@H]1CCCO1)c1cc2ccccc2n1Cc1ccccc1F 58358084 BMFBFUDWHNSVDK-KRWDZBQOSA-N 352.409 3.738 0 40 FHAB Cc1ccc(C)c(OCCN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)c1 3324574 LDQUJINDAKUVGU-HXUWFJFHSA-N 370.474 3.527 0 40 FHAB O=C(CSc1ccccn1)Nc1ccnn1Cc1ccccc1Cl 10555339 UPDVKUFMJRHVDA-UHFFFAOYSA-N 358.854 3.711 0 40 FHAB COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2cccc(C)c2C)c1C 3317784 KQNFORHZXNGHSP-HNNXBMFYSA-N 357.450 3.969 0 40 FHAB Cc1ccc(Oc2ccccc2NC(=O)CSc2nnc(N)s2)cc1 10789961 WJINRHAFYHKPLV-UHFFFAOYSA-N 372.475 3.952 0 40 FHAB CN(Cc1ccsc1)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 12789905 UARAOCXURVAQOC-UHFFFAOYSA-N 362.458 3.813 0 40 FHAB Cc1cccc(N2CCN(c3nn4cc(C(C)(C)C)nc4s3)CC2)c1 12740774 BGRLCUXAGQMDAH-UHFFFAOYSA-N 355.511 3.723 0 40 FHAB Cc1ccccc1OCC(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C 12814587 KZNWTZJWFNJQOK-UHFFFAOYSA-N 363.461 3.835 0 40 FHAB CN(CCOc1ccccc1Cl)C(=O)c1ccc(-n2cccn2)cc1 12927072 PSDXWGWQAKBHQU-UHFFFAOYSA-N 355.825 3.677 0 40 FHAB COc1ccc(CC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c(OC)c1OC 12900601 MNIPABPDJSNTEC-ZMSDIMECSA-N 361.482 3.730 0 40 FHAB Cc1cc(C(=O)NCCOC2CCC2)c2cc(Br)ccc2n1 81237324 TZYGWRKVQFOXQU-UHFFFAOYSA-N 363.255 3.605 0 40 FHAB Cc1nc(-c2cccc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)c2)cs1 8075990 YERPGFKXILDVLL-GOSISDBHSA-N 364.426 3.839 0 40 FHAB CCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1 4188440 HQURZWLYWHFSJF-FTUNRGFVSA-N 355.434 3.708 0 40 FHAB CCc1ccc(S(=O)(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@@H]32)cc1 8394753 HAJLSVZWWIZPKO-CTNGQTDRSA-N 370.518 3.554 0 40 FHAB CCOc1ccc(C2=Nn3c(nnc3-c3ccc(F)cc3)SC2)cc1 5123691 DMXMWHCZXGAXHJ-UHFFFAOYSA-N 354.410 3.841 0 40 FHAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(F)cc1 8310341 RHCLVIZVVURGJM-SFHVURJKSA-N 370.424 3.763 0 40 FHAB Cc1ccccc1CN(C)C(=O)CSc1nnc(-c2cccs2)o1 6462902 XICJLIBPVBSRMY-UHFFFAOYSA-N 359.476 3.857 0 40 FHAB CC(=O)Nc1cccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 4553350 NWEOAQAUHIDZSH-UHFFFAOYSA-N 353.205 3.969 0 40 FHAB C[C@H]1CCCCN1CCCNC(=O)Cc1csc(-c2cccs2)n1 14247689 XREWCMHUUFFIFV-AWEZNQCLSA-N 363.552 3.795 0 40 FHAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nnc(NC3CCCCC3)s2)C1 6566597 XDJMWVOGNXPGTH-CHWSQXEVSA-N 368.572 3.879 0 40 FHAB CCOc1ccc(-c2nc(-c3ccc(O)c(C(N)=O)c3)cs2)cc1OC 6553553 KURPWWVTTSMXEI-UHFFFAOYSA-N 370.430 3.689 0 40 FHAB COc1cc2ccccc2cc1C(=O)Nc1ccccc1N1CCOCC1 4675759 RRJNNXAMNTYACW-UHFFFAOYSA-N 362.429 3.937 0 40 FHAB COCc1cc(C)nc2sc(C(=O)N[C@H](C)c3ccccc3)c(N)c12 5739779 XWEOXSNCSORFTA-GFCCVEGCSA-N 355.463 3.824 0 40 FHAB CCC(=O)N1c2ncnn2[C@H](c2ccccc2)C[C@H]1c1ccc(OC)cc1 4815107 DFWOHHFCNGPSGZ-OALUTQOASA-N 362.433 3.764 0 40 FHAB COc1ccc([C@H]2c3c(C)n[nH]c3C(=O)N2c2ccc(C)cc2)cc1OC 5818276 LEGHUQUONTUALA-FQEVSTJZSA-N 363.417 3.794 0 40 FHAB Cc1cc(C)c(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)c(C)c1 6902867 GTQOAMYFNVQVHY-LJQANCHMSA-N 351.446 3.962 0 40 FHAB CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCCCCCC2)nc1 15210572 LHIHAUWVMQEOLM-UHFFFAOYSA-N 353.532 3.660 0 40 FHAB O=C(Cn1nc(-c2cccs2)c2ccccc2c1=O)Nc1ccccc1 7023655 BZTRPAAUAVMPJX-UHFFFAOYSA-N 361.426 3.764 0 40 FHAB CC(=O)NCc1ccc(C2=NN=C(Nc3cccc(C)c3)SC2)cc1 8721418 AIKQJBVLLCRISD-UHFFFAOYSA-N 352.463 3.550 0 40 FHAB Cc1c(CCC(=O)Nc2ccc3[nH]ccc3c2)c(=O)oc2cc(O)ccc12 8880074 HLMVNPITNKKYLE-UHFFFAOYSA-N 362.385 3.860 0 40 FHAB biogenic C/C(=C\C(=O)N1CCC(C(=O)Nc2nc(C)cs2)CC1)c1ccccc1 96188193 APNDVUXUKOQWAL-WYMLVPIESA-N 369.490 3.732 0 40 FHAB O=C(N[C@@H]1CCCc2c1[nH]c1ccccc21)c1cc(-c2cccnc2)n[nH]1 96231864 APIMBLWQMWIZPR-QGZVFWFLSA-N 357.417 3.760 0 40 FHAB COc1ccc([C@H](C)NC(=O)NCc2ccc(-c3ccn[nH]3)cc2)cc1F 78943607 WXYHDCFWWBBSRU-ZDUSSCGKSA-N 368.412 3.785 0 40 FHAB CC(C)[C@@H]1C[C@H](NC(=O)c2cccc(OCc3cccnc3)c2)CCO1 95459004 MLKNLGPXCBEBLK-QUCCMNQESA-N 354.450 3.594 0 40 FHAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)C[C@H](C)c2c(C)n[nH]c2C)cc1 95444002 KNSRELBKVQUWPI-SWLSCSKDSA-N 357.454 3.653 0 40 FHAB Cn1cc(NC(=O)c2cnc(-c3ccccc3)s2)c(C(F)(F)F)n1 95973359 GJLFMVJWBYCOJJ-UHFFFAOYSA-N 352.341 3.815 0 40 FHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 20492112 JWYPSCFKTDOHKU-LJQANCHMSA-N 368.433 3.618 0 40 FHAB O=C(NC(=S)Nc1nccs1)c1cccc(OCc2ccccc2)c1 408628616 VIMMOTBDMVAZNH-UHFFFAOYSA-N 369.471 3.849 0 40 FHAB COc1cccc(N2C[C@H](C(=O)Oc3ccc(C(C)(C)C)cc3)CC2=O)c1 408673677 XMMBMQWGCBSYDO-OAHLLOKOSA-N 367.445 3.951 0 40 FHAB COc1cc(C)c(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1OC 409084695 MRSYCIDZDMJRRL-WJDWOHSUSA-N 374.506 3.745 0 40 FHAB COc1cc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)ccc1O 36356903 WGVPIQVWVJZNLB-GFCCVEGCSA-N 353.353 3.849 0 40 FHAB COc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1COc1cc(C)ccc1C 36612341 WVBGUDRQZQPLDD-APWZRJJASA-N 373.474 3.679 0 40 FHAB COc1ccc(CN2CCC[C@@H](c3nnc(-c4ccccn4)o3)C2)cc1 72390026 WUOVHUYHIUSPSR-MRXNPFEDSA-N 350.422 3.520 0 40 FHAB O=S(=O)(c1ccc(Cl)cc1)[C@@H]1[C@H](CO)[C@H]1c1ccc(Cl)cc1 218592192 NRFDIODVMCMEAO-BZUAXINKSA-N 357.258 3.542 0 40 FHAB Cc1c(Cl)cccc1S(=O)(=O)NCC(c1ccco1)c1ccco1 670858088 KOUGTBYGLLJLGV-UHFFFAOYSA-N 365.838 3.945 0 40 FHAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccco2)cc1 223745588 ANDWLOCCMGOCDP-QZTJIDSGSA-N 351.431 3.860 0 40 FHAB Cc1ccccc1CS(=O)(=O)NCc1ccccc1CN1CCCCC1 224828435 QFDMROJOPITJDW-UHFFFAOYSA-N 372.534 3.601 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 223592927 ASEZWKLFLKIYFV-IBGZPJMESA-N 366.505 3.708 0 40 FHAB C[C@H]1CCc2nc(NC(=O)C[C@H](CC(=O)O)c3cccs3)sc2C1 223111150 XCKGYPDIRDRVHH-WDEREUQCSA-N 364.492 3.917 0 40 FHAB COc1ccc(CCC(=O)N[C@@H](C)COc2ccccc2OC)cc1C 222846851 UVCZQMRAGHNFOU-INIZCTEOSA-N 357.450 3.529 0 40 FHAB COC(=O)C[C@@H](NC(=O)c1c(F)cccc1Cl)c1ccc(F)cc1 40158706 MSZASLBTIMDRKK-CQSZACIVSA-N 353.752 3.652 0 40 FHAB CC(=O)Nc1cccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c1 47374405 NVTFBXHGUKUHIT-UHFFFAOYSA-N 357.435 3.509 0 40 FHAB O=C(NCc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 42645906 BFRQTMCRLBRTKT-UHFFFAOYSA-N 357.624 3.902 0 40 FHAB CCCCCC(=O)N1CC[C@@H](CC(=O)O)[C@@H](Cc2nc3ccccc3[nH]2)C1 514288533 CCCQPSWDXUUAAQ-HOTGVXAUSA-N 371.481 3.625 0 40 FHAB biogenic,in-vitro CC1(C)C[C@H](NC(=O)c2coc(=O)c3ccccc23)c2cc(F)ccc2O1 1585449209 HYAUPSRLUBCYRQ-KRWDZBQOSA-N 367.376 3.964 0 40 FHAB CNC(=O)C[C@@H]1CC2(CCN(Cc3cccs3)CC2)c2ccccc21 96052563 VCDZIDAUHMHVOO-MRXNPFEDSA-N 354.519 3.905 0 40 FHAB COc1cccc(-c2nc(C)c(C(=O)Nc3n[nH]c(C(C)C)n3)s2)c1 95479781 FQHSWQFVIWJCPB-UHFFFAOYSA-N 357.439 3.621 0 40 FHAB CC1CCC(O)(c2nc(-c3ccc(OCCN4CCCC4)cc3)no2)CC1 585084211 KREAASVTOSZIQQ-UHFFFAOYSA-N 371.481 3.609 0 40 FHAB Cn1cc(C2=CCN(C(=O)c3cc(N)nc(Cl)c3)CC2)c2ccccc21 367629519 KQBADOPIHVPWTC-UHFFFAOYSA-N 366.852 3.738 0 40 FHAB Cc1cc2ccc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C[C@H]3C)cn2c1 672967241 OGSKBGCZSRMVTC-XMSQKQJNSA-N 361.489 3.888 0 40 FHAB O=C(CSc1ccncc1)Nc1cc(-n2ccc3ccccc32)ncn1 96025277 BZRFFWMIGMXCOQ-UHFFFAOYSA-N 361.430 3.546 0 40 FHAB CC[C@](CNS(=O)(=O)Cc1ccccc1Cl)(OC)c1ccccc1 96123773 NBRNXDYWBMXDKH-GOSISDBHSA-N 367.898 3.711 0 40 FHAB Cc1ccc2c(CC(=O)NCC(=O)Nc3c(C)cccc3C)coc2c1 5172925 BUQQUJPXHDGYIO-UHFFFAOYSA-N 350.418 3.655 0 40 FHAB C[C@@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)N(C)c1ccccc1 6120965 RARDCHPOOZNKNO-UTZKEFOASA-N 360.413 3.843 0 40 FHAB Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@H](c2cccs2)C(C)C)[nH]n1 12116890 NDLNXEXEZZDBOC-KRWDZBQOSA-N 357.483 3.616 0 40 FHAB CCCC(=O)N1CCC[C@H]1c1cc2nc(CC)cc(C(F)(F)F)n2n1 12230522 SMLJXOAZKRLZMG-ZDUSSCGKSA-N 354.376 3.774 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)Nc2cc(F)ccc2F)o1 12885724 KZUBTOHREMPDNB-UHFFFAOYSA-N 351.334 3.647 0 40 FHAB O=C(Nc1ccc(Cl)cc1Cl)c1c/c(=N\O)c2ccc(O)cc2o1 17214036 IIHBAMOVYVKHJL-DEDYPNTBSA-N 365.172 3.987 0 40 FHAB CC(C)c1ncc(CN2[C@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)cn1 19453940 QJUBGUASLAHJGG-PMSBKCLSSA-N 355.457 3.754 0 40 FHAB Cc1ccc(C(=O)N[C@@H](C)CCN2CCCCCC2)cc1N1CCCC1 19716223 SOARKECBZGVDFO-IBGZPJMESA-N 357.542 3.980 0 40 FHAB O=C(Nc1ccc2c(c1)CN(Cc1ccccc1)C2)c1n[nH]c2c1CCC2 19717945 INCGCYAGGRECCG-UHFFFAOYSA-N 358.445 3.667 0 40 FHAB CCN(C(=O)CSc1nc(-c2ccccc2)n[nH]1)c1ccc(F)cc1 5085459 CRNFOTUUBJDYBL-UHFFFAOYSA-N 356.426 3.756 0 40 FHAB CC(C)c1c(C(=O)NCCc2c[nH]c3ccccc23)cnn1-c1ccccn1 32911663 DJKKPOJGYCLKAC-UHFFFAOYSA-N 373.460 3.845 0 40 FHAB O=c1[nH]nc(SCc2ccccc2F)n2nc(-c3cccs3)cc12 16844024 BXMCGXZVGLFGSJ-UHFFFAOYSA-N 358.423 3.578 0 40 FHAB CC(C)CN1CCC(NC(=O)N[C@H](C)Cc2ccc(Cl)cc2)CC1 45462702 SERVXQDMCOJYGG-OAHLLOKOSA-N 351.922 3.691 0 40 FHAB CCCCc1ccc(NC(=O)CCC(=O)Nc2nnc(CC)s2)cc1 2430447 QHAHJVJTDBHGQX-UHFFFAOYSA-N 360.483 3.801 0 40 FHAB Cc1ccn2cc(C(=O)NCCCc3nc4ccccc4s3)nc2c1 31677412 SHZWAEMNIMEAHD-UHFFFAOYSA-N 350.447 3.615 0 40 FHAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3[C@@H]4C[C@H]5OC(=O)[C@H]3[C@H]5C4)cc2)cc1 101182678 AAUKRGAXEWETSV-GYZWRVLVSA-N 363.413 3.923 0 40 FHAB O=C(Nn1c(C2CCC2)nc2cc(Cl)ccc2c1=O)c1ccccc1 4891571 ZTASSFCHTLAUPD-UHFFFAOYSA-N 353.809 3.701 0 40 FHAB O=C(Nc1ccc(I)cc1)c1ccc(F)cc1F 6225667 GSWYPZXERPGWAA-UHFFFAOYSA-N 359.113 3.822 0 40 FHAB O=[N+]([O-])c1cc(Cl)cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c1O 6866697 HEVBZLWKHGQCDI-PTXOJBNSSA-N 360.679 3.814 0 40 FHAB CCCCn1nnnc1NCc1cccc(OCc2ccc(F)cc2)c1 7262199 WMWUUSGNRGADLN-UHFFFAOYSA-N 355.417 3.803 0 40 FHAB CCc1nnsc1C(=O)N1CCC(c2nc3ccccc3s2)CC1 32740745 URJLYYKNXFSBNK-UHFFFAOYSA-N 358.492 3.730 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)N(C)Cc2cccc(C(F)(F)F)c2)cc1 8987645 UVPKHIKYBVSOPM-UHFFFAOYSA-N 371.380 3.729 0 40 FHAB C[C@H](Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)NC(C)(C)C 8943206 CIQSRYZGYCIEMW-LBPRGKRZSA-N 371.506 3.522 0 40 FHAB C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1 59477992 YOGLDSQRRRSAPG-HOCLYGCPSA-N 356.853 3.613 0 40 FHAB CCNC(=O)CSc1nnc(Nc2ccccc2C(F)(F)F)s1 9221078 LBCNWTRTEPDEOL-UHFFFAOYSA-N 362.402 3.529 0 40 FHAB Cc1c(C(=O)N[C@@H](C)c2nnc3ccccn23)oc2ccc(Cl)cc12 52769798 MYVLRJQQTCYHGG-NSHDSACASA-N 354.797 3.928 0 40 FHAB Cc1nc(C(=O)N(C)Cc2ccc(Cl)cc2)nn1-c1ccc(F)cc1 52738318 BGUCHKKITYJLAZ-UHFFFAOYSA-N 358.804 3.640 0 40 FHAB CCCOc1ccc(OCCOC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 102773383 BVYROWZSNFKKBN-WZGNDQMWSA-N 374.477 3.729 0 40 FHAB Cc1[nH]c2ccccc2c1CNC[C@@H](c1cccs1)N1CCN(C)CC1 22781205 XLOOVGBTBDSMEJ-FQEVSTJZSA-N 368.550 3.616 0 40 FHAB Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccc1 812950 SUJYVBQNDDQCRN-UHFFFAOYSA-N 358.854 3.866 0 40 FHAB COc1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)C)cc1OC 958143 HMOXDYHTYHBQPM-UHFFFAOYSA-N 357.406 3.623 0 40 FHAB Cc1ccc(CN(C)C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)o1 23496106 QQVKQLVQSLCPRI-MRXNPFEDSA-N 374.868 3.752 0 40 FHAB O=C(NCc1cn2ccccc2n1)c1ccccc1SC[C@H]1CCCO1 8279294 NACPOSKSZZILDR-MRXNPFEDSA-N 367.474 3.535 0 40 FHAB O=C(Cc1c(F)c(F)c(F)c(F)c1F)NC1C2CC3CC(C2)CC1C3 24707083 XXAAXINRMZUCFD-UHFFFAOYSA-N 359.338 3.866 0 40 FHAB O=C(/C=C/c1nccs1)Nc1ccc(C(=O)N2CCCCCC2)cc1 55742959 WIGCSEXDXPAPCG-MDZDMXLPSA-N 355.463 3.811 0 40 FHAB CC(C)[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)c1nc2ccccc2[nH]1 12547232 MHTJSFDMISQUQQ-HXUWFJFHSA-N 365.433 3.738 0 40 FHAB O=C(COc1ccc(Oc2ccccn2)cc1)Nc1cccc2cn[nH]c12 44224732 YUVPRJRIXPHQGN-UHFFFAOYSA-N 360.373 3.768 0 40 FHAB Fc1cccc(Cl)c1CN1CCN(Cc2nc3ccccc3[nH]2)CC1 35598344 YLMQMJOXWTYSFP-UHFFFAOYSA-N 358.848 3.673 0 40 FHAB Cc1cccc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)n1 12550184 HVGNLFWZRVQUHO-UHFFFAOYSA-N 351.406 3.755 0 40 FHAB Cc1nc(C)c(CCC(=O)Oc2ccc3oc4ccccc4c3c2)c(=O)[nH]1 57785425 JWBFRVUOGQUXAO-UHFFFAOYSA-N 362.385 3.824 0 40 FHAB CCCOc1ccccc1NC(=O)c1ccc(CN2CCCC2=O)cc1 57741110 DOJUOWORUUFURM-UHFFFAOYSA-N 352.434 3.850 0 40 FHAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)[C@H]3C[C@@H]3C)ccc21 3235114 OOCHUSKUGZRVDS-BBRMVZONSA-N 350.418 3.952 0 40 FHAB CCOC(=O)[C@H]1CCCN(C(=O)Nc2ccc(-c3nccs3)cc2)C1 58175719 RGOATKXGJWZPKM-AWEZNQCLSA-N 359.451 3.617 0 40 FHAB O=C(CCSCc1ccccn1)NCc1ccc(OC(F)F)cc1 58227013 ILVVMZBMRHGVCI-UHFFFAOYSA-N 352.406 3.623 0 40 FHAB CC[C@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccc(Cl)cc1 10423338 FQXIOZATDKBMDN-INIZCTEOSA-N 372.852 3.723 0 40 FHAB O=C(CSC(c1ccccc1)c1ccccc1)NCCCn1ccnc1 45052502 NWBVKMXFOAUYAW-UHFFFAOYSA-N 365.502 3.912 0 40 FHAB O=C(Cc1csc(-c2ccco2)n1)Nc1ccc(N2CCCC2)nc1 12736185 KIKOLKZZXWLAPG-UHFFFAOYSA-N 354.435 3.580 0 40 FHAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2ccccc2)c1 12769107 WYPGSYJHXQHCAI-UHFFFAOYSA-N 366.490 3.965 0 40 FHAB O=C(OCc1nc2ccccc2o1)c1nn(-c2ccccc2)c2c1CCC2 12777268 BFPABHYFGWEMSU-UHFFFAOYSA-N 359.385 3.859 0 40 FHAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccc(N2CCCC2=O)cc1 12851889 JBRUHPKRCIAATQ-KRWDZBQOSA-N 370.449 3.919 0 40 FHAB C[C@H](NC(=O)Cn1c(S)nnc1-c1ccc(Cl)cc1)c1ccccc1 12814807 QXDOYAIEZWQLJX-LBPRGKRZSA-N 372.881 3.765 0 40 FHAB O=c1c2cc(OCCCOc3ccccc3)ccc2nc2n1CCCCC2 12902588 HYWPRXNAXMFWMQ-UHFFFAOYSA-N 364.445 3.971 0 40 FHAB biogenic CC[C@@](C)(C(=O)NC1CCCCC1)N(C)C(=O)Cc1c[nH]c2ccccc12 3625972 GPDOCEJNBFBIFP-QFIPXVFZSA-N 369.509 3.786 0 40 FHAB CCOc1ccc([C@@H]2C[C@@H](c3ccc(OC)cc3)n3ncnc3N2)cc1 13132336 MNMBYPWITWMIAR-OALUTQOASA-N 350.422 3.832 0 40 FHAB CCOc1c(Cl)cc(CN[C@@H](C)c2nnc3ccccn23)cc1OC 15594209 HCXRPSDMBIWQNV-LBPRGKRZSA-N 360.845 3.641 0 40 FHAB O=C(Nc1cccc(-c2cnco2)c1)c1ccc2c(O)[nH]c(=S)nc2c1 63810945 ZSDIVIFJQYYVOU-UHFFFAOYSA-N 364.386 3.905 0 40 FHAB Cc1c([C@@H]2CC(O)=Nc3c2cnn3Cc2ccccc2Cl)cnn1C 49544393 MGODNFIRHIUMSA-ZDUSSCGKSA-N 355.829 3.750 0 40 FHAB CCOc1cc(=O)n2c(c1C(=O)OCc1ccc(Cl)cc1)CCCC2 65254919 GUQCEFIGLZQZAT-UHFFFAOYSA-N 361.825 3.594 0 40 FHAB CC(=O)c1ccc(NC(=O)CCN(C)CCOc2ccccc2C)cc1 14079495 SCLAZMFCAHPHAN-UHFFFAOYSA-N 354.450 3.537 0 40 FHAB COC(=O)c1ccc2nc(NC(=S)NCc3ccccc3)sc2c1 409189722 NKDJGQZJFGNRJR-UHFFFAOYSA-N 357.460 3.570 0 40 FHAB O=C(CSc1nc2ccccc2o1)Nc1ccc(N2CCCC2=O)cc1 14140285 LKIGXNPGOJBERZ-UHFFFAOYSA-N 367.430 3.685 0 40 FHAB NC(=O)[C@@H](c1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 14167532 ZCFODGVQGJYKPO-GOSISDBHSA-N 351.475 3.702 0 40 FHAB CCCCCC1=NN(C(=O)c2cccc(C)c2O)[C@@](O)(C(F)(F)F)C1 4575569 JZXSUBNAJWQEOQ-INIZCTEOSA-N 358.360 3.734 0 40 FHAB COc1ccc(-c2nc(C(=O)Nc3ccc4c(c3)OCO4)cs2)cc1 8007151 BRRJCDZOWPPPTN-UHFFFAOYSA-N 354.387 3.800 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 4696284 WZUKJMBOXIQTQK-UHFFFAOYSA-N 354.406 3.710 0 40 FHAB O=C(Nc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 4742709 FIUXMVBRBTZHRQ-UHFFFAOYSA-N 370.405 3.879 0 40 FHAB C[C@H](NC(=O)CSc1nnc(-c2cccc(F)c2)n1C)c1ccccc1 4736252 ZRTLUKALKCEHDK-ZDUSSCGKSA-N 370.453 3.591 0 40 FHAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(OC)cc1 4741888 BYVXATHLQZRYGX-IBGZPJMESA-N 363.417 3.897 0 40 FHAB CSc1nc(SCCN(C)C)c2sc3c(c2n1)COC(C)(C)C3 6756219 KWBCABGHUQGNFF-UHFFFAOYSA-N 369.581 3.918 0 40 FHAB Cc1cccc(OCC(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)c1 5748003 OFLZEQAJULWMFC-UHFFFAOYSA-N 367.430 3.721 0 40 FHAB CN(C)c1ccc(Cl)cc1NC(=O)CCCNC(=O)c1cccs1 69642027 QRXFCAMSCGLVOY-UHFFFAOYSA-N 365.886 3.616 0 40 FHAB COc1ccc(-c2cc(=O)[nH]c(Nc3nc(C)c4cc(C)ccc4n3)n2)cc1 18222500 HJRZQNKYTITNIT-UHFFFAOYSA-N 373.416 3.749 0 40 FHAB CSc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1 8945888 NSWWKWDBFACXCL-UHFFFAOYSA-N 357.431 3.781 0 40 FHAB COc1cc(C2=N/C(=C/c3cccs3)C(=O)O2)ccc1OC(F)F 72272977 FKQWNIUHJSASRG-DHZHZOJOSA-N 351.330 3.703 0 40 FHAB CCOc1ccc(CNC(=O)CCc2nc(-c3cccc(F)c3)no2)cc1 72332148 WZYJRMZRDXXHQW-UHFFFAOYSA-N 369.396 3.523 0 40 FHAB Cc1ccc(NC(=O)OC(C)(C)C)c(OCC(=O)N[C@H](C)C(C)C)c1 72311145 RZRNIMSHTMEUFR-CQSZACIVSA-N 350.459 3.882 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3cccc4c3ccn4C)n(C)n2)cc1 72403739 ANXUOAIBHGZHSG-UHFFFAOYSA-N 360.417 3.840 0 40 FHAB Cc1ccc(OCC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)cc1 95397786 HHEQNYQLYAAHSE-SFHVURJKSA-N 352.478 3.716 0 40 FHAB CCn1cc(CC(=O)Nc2ccc(OCC(=O)O)cc2C)c2ccccc21 95425254 MYUWXPFXVPFLKH-UHFFFAOYSA-N 366.417 3.614 0 40 FHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCO[C@H](C(C)C)C1 95994538 FLLUTSCILLJVQP-AWEZNQCLSA-N 366.820 3.940 0 40 FHAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(Cn2cccn2)cc1 9955484 BLXRZZCMNAWKRB-UHFFFAOYSA-N 357.316 3.505 0 40 FHAB CC(C)[C@H](Cc1ccc(F)cc1)NCC(=O)N1CCc2sccc2C1 89544684 LAFUVEWWWTVYFK-SFHVURJKSA-N 360.498 3.629 0 40 FHAB O=C(CCCOc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 408705683 LHBFFKRMSPYSNK-UHFFFAOYSA-N 372.896 3.843 0 40 FHAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(O)c(OC)c3)S2)cc1 408790626 SXQOVEZHHPRSHS-XGHXRCDJSA-N 356.447 3.563 0 40 FHAB CCOc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCC(N)=O 408556159 IVCGXRHEICHOHM-UHFFFAOYSA-N 369.248 3.868 0 40 FHAB COc1ccccc1Nc1c(-c2ccc3c(c2)OCO3)nc2cnccn12 35616258 SRMGXBPXORHLQN-UHFFFAOYSA-N 360.373 3.877 0 40 FHAB CCCCN(CC)C(=O)C1=C(C)NC(C)=C(C(=O)N(CC)CCCC)C1 31852496 GEAAAXSFIVKZPF-UHFFFAOYSA-N 363.546 3.825 0 40 FHAB Cc1nccn1-c1cccc(C2CCN(C(=O)CCc3ccccc3)CC2)n1 72378965 ISEHQNONHFFGJE-UHFFFAOYSA-N 374.488 3.915 0 40 FHAB O=C(NCCCNc1ccc(C(F)(F)F)cn1)c1ccccc1Cl 32911982 DDCLUSVKMUVVBF-UHFFFAOYSA-N 357.763 3.986 0 40 FHAB Cc1cc(-c2cnc(NCc3cccnc3)nc2-c2cccnc2C)on1 72336751 OODIZCVHBBCBKE-UHFFFAOYSA-N 358.405 3.818 0 40 FHAB O=C(NCc1cnn2ccccc12)N1CCCC[C@H]1c1nc2ccccc2[nH]1 563062168 ULASFFMSCGOKPI-IBGZPJMESA-N 374.448 3.647 0 40 FHAB CC(C)c1noc([C@H](C)N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)n1 181300247 MVSURSMHYZPCHT-HOCLYGCPSA-N 366.469 3.919 0 40 FHAB Cc1ccc(C(=O)N2[C@H](C(=O)O)COC23CCC(C(C)(C)C)CC3)cc1 71980435 QSQFISMFVFVZQK-BATSVXPKSA-N 359.466 3.853 0 40 FHAB CCOC(=O)Nc1nc2c(s1)CN(C(=O)c1ccccc1Cl)CC2 75157905 CNGIJVIBOGIMOX-UHFFFAOYSA-N 365.842 3.563 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N3CCCC3)nc2)cc1 72215932 LMUIJKHBSSNVIJ-IBGZPJMESA-N 371.506 3.516 0 40 FHAB O=C1C[C@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F 36635717 DSVQOPMDJVOUQB-ZDUSSCGKSA-N 353.180 3.877 0 40 FHAB C[C@H]1OCc2cc(=O)n(CC(=O)Nc3ccc(C4CCCCC4)cc3)nc21 72342363 QZQWNGIZKJZJHT-CQSZACIVSA-N 367.449 3.521 0 40 FHAB Cc1noc(C)c1CSc1ccccc1C(=O)N1C[C@@H](C)O[C@H](C)C1 40159856 AQIJDNRXCBVPDJ-CHWSQXEVSA-N 360.479 3.833 0 40 FHAB O=C(NCc1cccnc1-c1cccs1)c1cncc(Br)c1 225760799 IGHTZNULLWXJDH-UHFFFAOYSA-N 374.263 3.898 0 40 FHAB C[C@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccc2c(c1)OCCO2 222736926 JAALRWSFYIKMGC-HNNXBMFYSA-N 367.445 3.593 0 40 FHAB Cn1ncc2c1NC(=O)C[C@H]2c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 49548066 ZARDZPYPQRCEAV-SNVBAGLBSA-N 371.780 3.506 0 40 FHAB O=C(NCc1ccc(Cl)cc1)N1CC[C@@H](N2CCc3ccccc3C2)C1 225687756 UGYLCLYKXXDHNL-HXUWFJFHSA-N 369.896 3.682 0 40 FHAB Cc1ccc(CNC(=S)Nc2nc(Cl)cc(N3CCCC3)n2)cc1 225946455 JJDLIOPNJFUYJS-UHFFFAOYSA-N 361.902 3.525 0 40 FHAB Cc1nc2nc3ccn(CCC(C)C)c(=O)c3c(-c3ccc(F)cc3)n2n1 40398539 UQWAVCVZIJILJH-UHFFFAOYSA-N 365.412 3.600 0 40 FHAB CCc1ccc(OCC(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1 225746036 XOIGWUYKEYDSJY-UHFFFAOYSA-N 369.446 3.794 0 40 FHAB C[C@H](CCCC(C)(C)O)NC(=O)C1CCN(C[C@H](C)c2ccccc2)CC1 199423621 MTWFMTLOARDNDQ-RBUKOAKNSA-N 374.569 3.948 0 40 FHAB O=C(NCc1ccc(Cl)cc1)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 225679949 GXXQVDFFMBLYPK-OAHLLOKOSA-N 358.825 3.768 0 40 FHAB CCCOc1ccc(NC(=O)C(C)(C)OCCC)cc1C(=O)OCC 225837566 OBCKEKGMJDFHDK-UHFFFAOYSA-N 351.443 3.796 0 40 FHAB Cc1nccn1-c1ccccc1CNC(=S)Nc1ccc(F)c(F)c1 225450390 AKNIUWZKECZILR-UHFFFAOYSA-N 358.417 3.946 0 40 FHAB COc1cc(C)c(S(=O)(=O)NCCCc2ccc(Cl)cc2)c(C)c1 224934803 MIGVUCXQGUMKNX-UHFFFAOYSA-N 367.898 3.877 0 40 FHAB C[C@@H](Oc1cccc(-c2cc(C(F)(F)F)cnc2N(C)C)c1)C(=O)O 91695551 SSABSFNRIOLBOP-SNVBAGLBSA-N 354.328 3.685 0 40 FHAB CCN(Cc1nc(-c2ccc(C)c(OC)c2)no1)[C@@H]1CCOC(C)(C)C1 585084859 BSBOMDXRIUTXJG-MRXNPFEDSA-N 359.470 3.833 0 40 FHAB Cc1cc(-c2c(C)noc2C)nc([C@H]2CCCCN2Cc2cc[nH]n2)n1 257331892 XUSONNGVINZRME-QGZVFWFLSA-N 352.442 3.507 0 40 FHAB Cc1nc(-c2cccnc2)sc1C(=O)N1CCC[C@]2(C)NCCCC[C@H]12 257218546 DDNHVZGEWDETFT-JXFKEZNVSA-N 370.522 3.650 0 40 FHAB CC(C)COc1ccc(CC(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc1 675043528 VLAUDAZUZCXEQF-UHFFFAOYSA-N 363.461 3.766 0 40 FHAB Cc1nn(C)c2ncc(CN3CC(Cc4c(F)cccc4Cl)C3)cc12 1261297580 GPWKBITZVOHWHF-UHFFFAOYSA-N 358.848 3.744 0 40 FHAB CC(C)c1nc(/C=C/c2ccc(O[C@H]3CCOC3)cc2)ncc1C(=O)O 656613069 QCKGBOJLFQOFDT-WHWKNOJMSA-N 354.406 3.636 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)CN(C)Cc2c(F)cccc2Cl)c1C 58449055 QYOGYAFUJKJGNH-UHFFFAOYSA-N 350.821 3.941 0 40 FHAB C=COCCCNc1ncc(-c2ncc[nH]2)c(-c2ccc(OC)cc2)n1 12221396 HYLVTHJEVHBKEF-UHFFFAOYSA-N 351.410 3.504 0 40 FHAB COc1ccc(OC)c(CNC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1 12892021 CWJGKCPSTINOAH-UHFFFAOYSA-N 370.232 3.949 0 40 FHAB CCCn1c(=O)n(CCC(=O)Nc2ccc(OCC)cc2)c2ccccc21 16199875 WPFITKMTSGAHAB-UHFFFAOYSA-N 367.449 3.641 0 40 FHAB Cc1cc(-c2c[nH]nc2[C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)on1 19120859 KIPUUUFOIAXTNW-QGZVFWFLSA-N 368.412 3.809 0 40 FHAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)CC(C)C)CC2)C1 19446158 BYTDYACDNSXYFV-UHFFFAOYSA-N 372.509 3.613 0 40 FHAB CC(C)CC(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccnc2)C1 19446674 KMJNYABWAOREAR-SIKLNZKXSA-N 366.509 3.592 0 40 FHAB CCCCN1CCC[C@](C[C@@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)O)C1 19502260 RWEPBTHRJRNWLQ-FXAWDEMLSA-N 362.445 3.676 0 40 FHAB CCn1nc(C)c(CN2CCN(CC3(c4ccc(C)cc4)CC3)CC2)c1C 19523832 NGUFSUGBISFULF-UHFFFAOYSA-N 366.553 3.678 0 40 FHAB COc1ccccc1CN1CCC[C@H]1c1nnc(-c2scnc2C)o1 19563056 ZCQJVPKFDYLUJL-AWEZNQCLSA-N 356.451 3.847 0 40 FHAB CCN(C(C)=O)[C@H]1CN(Cc2ccc(NC(C)=O)cc2)C2(CCCCC2)C1 19703997 RVAFIYLMJSLNQF-OAQYLSRUSA-N 371.525 3.791 0 40 FHAB CN(c1ncc(Cl)cn1)C1CCN(Cc2ccccc2Cl)CC1 1889128281 SGJZVKNGPJMWHF-UHFFFAOYSA-N 351.281 3.884 0 40 FHAB COc1ccc2c(c1)C[C@H](NC(=O)Nc1cccc3c1CCCC3)CO2 21102240 LOHXAQXGQIAOEE-INIZCTEOSA-N 352.434 3.699 0 40 FHAB Cc1cc(C)c2c(N)c(-c3nc(-c4ccc5c(c4)OCO5)no3)sc2n1 78546912 UGCJEIOHGVQLSJ-UHFFFAOYSA-N 366.402 3.941 0 40 FHAB Cc1ccccc1CN1C(=O)C[C@H]2[C@@H]1CCN2Cc1cccc(F)c1F 1565552128 LHLKSJDLFFYEPC-OALUTQOASA-N 356.416 3.649 0 40 FHAB O=C(Nc1ccc(F)cc1F)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4374332 IMXVQWNJWDWLCE-LBPRGKRZSA-N 365.767 3.545 0 40 FHAB Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)c(C)c1C 16975850 AODNKMMFVCGFSR-UHFFFAOYSA-N 358.463 3.524 0 40 FHAB COc1cccc2c(SCC(=O)N3CCc4ccccc43)nccc12 36708195 GWFJVJBKWLJLKN-UHFFFAOYSA-N 350.443 3.925 0 40 FHAB CCN(CC)CCC[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 7612695 OCGDEGMUPQOUNB-GFCCVEGCSA-N 367.342 3.782 0 40 FHAB O=C(Nc1cccc(NC(=O)c2cc(F)cc(F)c2)c1)c1cccnc1 40074388 ZCNJVPACIOKYDG-UHFFFAOYSA-N 353.328 3.864 0 40 FHAB C[C@@H](OC(=O)c1ccccn1)C(=O)N(Cc1ccccc1)Cc1ccccc1 11077421 BKKYPZHWPBVKIH-GOSISDBHSA-N 374.440 3.856 0 40 FHAB O=[N+]([O-])c1ccc(N2CCN(CCc3ccccc3)CC2)c2ccncc12 15516830 BCTJLBMZPZNMCX-UHFFFAOYSA-N 362.433 3.508 0 40 FHAB CCCCCn1c(=N)n(C[C@@H](O)COc2ccc(C)cc2)c2ccccc21 20327142 MWKWBNGVIQYQER-GOSISDBHSA-N 367.493 3.861 0 40 FHAB COc1cc2c(cc1OC)-c1cc(Nc3ccccc3C)nc(=O)n1CC2 2407214 RZGBVVBGPZBBJS-UHFFFAOYSA-N 363.417 3.536 0 40 FHAB O=C(Nc1cccc(I)c1)C1(c2ccccc2)CC1 7264796 LBVZGEBTUNJRKZ-UHFFFAOYSA-N 363.198 3.962 0 40 FHAB COc1cc(Cl)ccc1C(=O)OCc1nc(-c2cccc(F)c2)no1 51315103 DZVILWBTSLPMSB-UHFFFAOYSA-N 362.744 3.895 0 40 FHAB COc1ccc(NC(=O)CSc2nnc(C)n2-c2cccc(C)c2)cc1 4500586 KUHBBMKGJIJNFQ-UHFFFAOYSA-N 368.462 3.624 0 40 FHAB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(OC)cc2)c(C)c1 6629945 QTMTZKPVRJAHHI-UHFFFAOYSA-N 371.506 3.977 0 40 FHAB Fc1ccc([C@H]2CN(Cc3cc(Cl)cc4c3OCOC4)CCO2)cc1 29538358 YAESDPFJXUKKAS-GOSISDBHSA-N 363.816 3.919 0 40 FHAB C[C@@H](NC(=O)CSc1nnc(-c2cccs2)[nH]1)[C@H]1C[C@H]2CC[C@H]1C2 102277708 CZXZTPSOFLBYTN-MROQNXINSA-N 362.524 3.566 0 40 FHAB CC(=O)Nc1ccc(SCCS(=O)(=O)c2ccc(Cl)cc2)cc1 29873457 SDPGUGPWUMSHAA-UHFFFAOYSA-N 369.895 3.864 0 40 FHAB COc1cc2c(cc1NC(=O)[C@H](C)N1CCO[C@H](C)C1)oc1ccccc12 37191866 WEHANCTXNQPQDZ-KGLIPLIRSA-N 368.433 3.642 0 40 FHAB CCn1cc(-c2cc(C(F)F)n3nc(C)c(Br)c3n2)c(C)n1 2786357 NCBIDRHTVJHONG-UHFFFAOYSA-N 370.201 3.930 0 40 FHAB CN(C)c1cccc(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 7436405 VHUCRHQCVXUUFJ-UHFFFAOYSA-N 366.339 3.567 0 40 FHAB O=C(c1ccoc1)N1CCC(C(=O)N2CCC[C@@H]2c2ccsc2)CC1 46911849 SBOQFWHGRMKNHJ-QGZVFWFLSA-N 358.463 3.557 0 40 FHAB CC1(C)C[C@@]2(C[C@@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 894208 KKICBWUQDFVRIQ-RBUKOAKNSA-N 372.446 3.761 0 40 FHAB Cc1c(C(=O)Nc2ccc(-n3cnnn3)cc2)oc2ccc(Cl)cc12 15835154 XZFNDHLQDRAZGE-UHFFFAOYSA-N 353.769 3.623 0 40 FHAB CC(C)NC(=O)NCc1ccc(C(=O)N(C)Cc2ccccc2Cl)cc1 23786638 CAGCNKMDGKPKRX-UHFFFAOYSA-N 373.884 3.820 0 40 FHAB C[C@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C[C@@H](C)O1 12558338 XZSUSZAEGIFZTF-GASCZTMLSA-N 367.474 3.850 0 40 FHAB COc1cccc(/C=C2/N=C(c3ccccc3Br)OC2=O)c1 1231154 LCOPWKVFSGFFLH-XNTDXEJSSA-N 358.191 3.802 0 40 FHAB CN(C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O)C1CCCC1 20452109 OBBMULGDGZEDGI-UHFFFAOYSA-N 372.490 3.530 0 40 FHAB O=c1c(Cl)c(N[C@H]2CCOc3ccccc32)cnn1-c1ccccc1 25370634 NNMDKDIZHNSTTC-HNNXBMFYSA-N 353.809 3.822 0 40 FHAB C[C@H](Nc1cccc(C(=O)NC2CC2)c1)c1nnc(-c2ccc(F)cc2)o1 12555550 UYUINGXIJDVIDM-LBPRGKRZSA-N 366.396 3.941 0 40 FHAB CCCOC(=O)[C@@H](C)n1cnc2scc(-c3ccc(C)cc3)c2c1=O 1778430 RXNYMZBJDJZBRV-CYBMUJFWSA-N 356.447 3.948 0 40 FHAB O=c1c(Cl)c(NC[C@H]2COc3ccccc3C2)cnn1-c1ccccc1 26758633 QXAIWMQCXSNOPQ-AWEZNQCLSA-N 367.836 3.549 0 40 FHAB Cc1ccnc(-n2c(S[C@H]3CCCCC3=O)nc3ccccc3c2=O)c1 57731380 FDBUYDBLRRDBTM-KRWDZBQOSA-N 365.458 3.693 0 40 FHAB CCN(CC)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cn1 48173577 NMPMUOGXAPEYJD-GOSISDBHSA-N 372.444 3.672 0 40 FHAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c1 27664496 IZMORRSDXVNFBL-OAHLLOKOSA-N 355.434 3.931 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)Nc1nc(-c2ccccc2)ns1 27662175 LOAGPBDATYDOPM-GFCCVEGCSA-N 355.419 3.620 0 40 FHAB Cc1ccc(NC(=O)C2CCN(c3cccc(C(F)(F)F)n3)CC2)nc1 58217449 IZJRZDPXULAICC-UHFFFAOYSA-N 364.371 3.659 0 40 FHAB C[C@@H]1CCCCN1C(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 3333133 CCPHBANAFRVKCN-CQSZACIVSA-N 354.450 3.605 0 40 FHAB CCCC1(CCC)NC(=O)N(CC(=O)c2cc(C)n(C3CC3)c2C)C1=O 21245877 WITHCSOYBMYDOX-UHFFFAOYSA-N 359.470 3.513 0 40 FHAB O=C(NCc1ccccc1)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 7737854 AOXLUTOQCDEHPK-UHFFFAOYSA-N 373.408 3.619 0 40 FHAB CC[C@@H]1CCc2sc(C(=O)OCc3cc(=O)n4ccsc4n3)cc2C1 3433891 KXGQPUZVJMRQSK-LLVKDONJSA-N 374.487 3.689 0 40 FHAB O=C(COc1ccc(OCc2ccccc2)cc1)NC(C1CC1)C1CC1 12917215 IZJVJIXVNQINLP-UHFFFAOYSA-N 351.446 3.949 0 40 FHAB CCOC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 3819964 RDDIFPWDYDDOEX-UHFFFAOYSA-N 373.352 3.683 0 40 FHAB C[C@H](NC(=O)c1ccc(Br)o1)c1ccc(-n2ccnc2)cc1 8012805 UGRWJXPOPPJYSA-NSHDSACASA-N 360.211 3.719 0 40 FHAB Fc1ccc(-c2nc(C3CC3)ncc2-c2nnnn2-c2ccccc2)cc1 16523911 BQFLHJYPTIGILG-UHFFFAOYSA-N 358.380 3.803 0 40 FHAB Cc1nn(Cc2cccc(C(F)(F)F)c2)c(=O)n1-c1c(F)cccc1F 4089167 WUDKDFGJSLKSQO-UHFFFAOYSA-N 369.293 3.688 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(C2CCCCC2)C(=O)[C@]31C 4073184 LILLEEGDOWCKBH-NRFANRHFSA-N 367.449 3.545 0 40 FHAB biogenic C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2cccnc2)s1 8278999 FPMFKLXUSNAYRY-JTQLQIEISA-N 360.826 3.660 0 40 FHAB Cc1ccc(CNC(=O)[C@H](C)n2c(S)nnc2-c2cccs2)c(C)c1 65478456 SEOIFCNOCLBOOY-ZDUSSCGKSA-N 372.519 3.790 0 40 FHAB CCCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(SC)cc1 4598051 BYOWSDQJBWFIKC-MRXNPFEDSA-N 358.467 3.632 0 40 FHAB Cn1c(-n2ncc(Nc3ccc(F)cc3)c(Cl)c2=O)nc2ccccc21 5451584 BJVUOIHRIMFEBE-UHFFFAOYSA-N 369.787 3.655 0 40 FHAB Cc1cccc(C(=O)Nc2ccc(Oc3ncnc4c3cnn4C)cc2)c1 14210330 GBWQIVPQHVGBMM-UHFFFAOYSA-N 359.389 3.716 0 40 FHAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Br)o1 6612223 TYRZFTPGYWJQPX-UHFFFAOYSA-N 367.239 3.984 0 40 FHAB C[C@@H]1C[C@H](c2ccccc2)n2ncnc2N1C(=O)c1ccccc1Cl 4732675 MAGHZXGXWXWLRK-CXAGYDPISA-N 352.825 3.960 0 40 FHAB O=C(CN(Cc1ccco1)Cc1ccco1)Nc1cccc2nsnc12 19079223 UPMPGDFXQUWHRD-UHFFFAOYSA-N 368.418 3.518 0 40 FHAB Cc1c(C(=O)N[C@@H]2CCCc3occc32)nnn1-c1cccc(Cl)c1 84057920 GFMWSZYMZHXJEF-OAHLLOKOSA-N 356.813 3.630 0 40 FHAB COc1ccc(NCc2nc3ccccc3c(=O)n2Cc2ccco2)cc1 9338546 GNQCPEIICNFNPL-UHFFFAOYSA-N 361.401 3.659 0 40 FHAB Cc1[nH]c2ccc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)cc2c1C 9515641 URFYXNKYMQJHFU-IBGZPJMESA-N 351.450 3.945 0 40 FHAB CCOC(=O)c1c(C2CC2)csc1NC(=O)c1cccc2c1OCCO2 95381707 FTBWPAQOVLPUHE-UHFFFAOYSA-N 373.430 3.826 0 40 FHAB CC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1)c1ccc(C)cc1 20481970 XRPVIFOLNNLQDP-QGZVFWFLSA-N 360.479 3.556 0 40 FHAB c1ccc(CNc2ncc3c(n2)CC[C@@H](NCc2cccs2)C3)cc1 306137016 QIZURQBXUFHONH-QGZVFWFLSA-N 350.491 3.797 0 40 FHAB COc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)c(OC)c1 38834633 BGRJSYPEYNYAKP-KRWDZBQOSA-N 354.450 3.555 0 40 FHAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccncc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409094508 DLINXHWMNLHEDN-XNJGSVPQSA-N 369.387 3.607 0 40 FHAB O=C1CCc2cc(C(=O)N3C[C@H](c4ccccc4)[C@H]4CCC[C@@H]43)ccc2N1 552959211 UTGVSTMQPVXEQF-SBHAEUEKSA-N 360.457 3.980 0 40 FHAB O=C(NCCCNc1ccccc1F)c1c[nH]nc1-c1ccccc1F 554787255 ZHQWCTZFDMZKNW-UHFFFAOYSA-N 356.376 3.587 0 40 FHAB CN(C)CC(=O)N1CCC(c2cccc(Cc3ccccc3Cl)n2)CC1 72350127 YYRLXXYGIFSMSS-UHFFFAOYSA-N 371.912 3.593 0 40 FHAB CCOc1cc(C(=O)O)cc(Cl)c1OC(=O)c1ccc(OC)cc1 216782302 HNXQZVIPJYQEIO-UHFFFAOYSA-N 350.754 3.665 0 40 FHAB COc1cccc(-c2cncc([C@@H]3CCCN(C4CCOCC4)C3)n2)c1 72359748 NYDOGADTXGZKQP-QGZVFWFLSA-N 353.466 3.511 0 40 FHAB CC(C)(C)OC(=O)N1CCC(=O)[C@H](Cc2ccc(Br)cc2)C1 228909930 CZLNAPMQLSYHIT-CYBMUJFWSA-N 368.271 3.818 0 40 FHAB Cc1ccc(C(=O)Nc2ccccc2F)c(I)c1 225012948 SSPCRAFEYOEGQG-UHFFFAOYSA-N 355.150 3.991 0 40 FHAB CCSc1nnc(NC(=O)CSCc2ccc(OC)cc2)s1 223877864 XTLIIGSPLRPRCG-UHFFFAOYSA-N 355.510 3.531 0 40 FHAB O=C(Nc1nn2c(-c3cccc(Cl)c3)nnc2s1)c1ccccc1 41108768 OELQSZAYLLMMOM-UHFFFAOYSA-N 355.810 3.759 0 40 FHAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(N2CCCC2)nn1 75358628 IZKMGZIUTOIKEB-UHFFFAOYSA-N 356.429 3.900 0 40 FHAB CN(C)[C@H](CNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)c1c(F)cccc1Cl 245284258 RADUOTONZMWTEX-YXAMBPQSSA-N 369.937 3.735 0 40 FHAB COc1ccc(CN(C)C(=O)c2ccc(-c3scnc3C)nc2)cc1 257316006 VDSJCYFEALGCLT-UHFFFAOYSA-N 353.447 3.794 0 40 FHAB COc1cccc2c1CN(C(=O)N[C@H](C)[C@H]1Oc3ccccc3[C@@H]1C)C2 623702752 GWMYMLPTPYNLHT-MNVSYLFESA-N 352.434 3.674 0 40 FHAB C[C@H](Cc1nc(Cc2ccn(-c3c(F)cccc3F)n2)no1)C(F)(F)F 599152121 PCQOZUQFNCWVGQ-SECBINFHSA-N 372.297 3.865 0 40 FHAB CC1(C)Cc2ccc(Cl)c(NC(=O)N3CC[C@H](n4cccn4)C3)c2O1 643485878 VVQVCMOMWNMXCL-ZDUSSCGKSA-N 360.845 3.729 0 40 FHAB CC(C)(C)OC(=O)c1ccccc1C(F)(F)[C@@](F)(C(=O)O)N(F)F 55161361 KYBCPGQGAYJFMV-CQSZACIVSA-N 355.259 3.555 0 40 FHAB biogenic COc1cc(OC)cc([C@@H](C(=O)O)N2CCc3ccc(F)cc3[C@H](C)C2)c1 652511240 RSGRUIWAAMAEBA-XCLFUZPHSA-N 373.424 3.630 0 40 FHAB Cc1cc(O)nc(-c2cccc(NC(=O)c3cc(C(F)(F)F)ccn3)c2)n1 685945703 NCYYULVOAULIME-UHFFFAOYSA-N 374.322 3.824 0 40 FHAB Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1ccc(C)n1C 68910848 NUEYGHOMUHRQEN-CQSZACIVSA-N 353.466 3.766 0 40 FHAB c1ccc2sc(N3CCN(c4ncnc5ccsc45)CC3)nc2c1 76686198 ORLOXQMHJQUSMM-UHFFFAOYSA-N 353.476 3.628 0 40 FHAB CCOC(=O)c1cnc2cc(C(F)(F)F)c(Br)cc2c1O 104745326 KTDFIBMJPMCMPK-UHFFFAOYSA-N 364.117 3.898 0 40 FHAB COc1ccc(CC(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 5880008 XFVCUSPCDHLQAR-UHFFFAOYSA-N 368.216 3.726 0 40 FHAB CN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3F)=NN12 5093408 ZIRUICNKAAZNRG-IBGZPJMESA-N 351.425 3.791 0 40 FHAB CCc1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1 11916841 AQCVBUWOQCOZBU-UHFFFAOYSA-N 350.374 3.928 0 40 FHAB CN1CCC2(CC1)Oc1ccccc1[C@@H]1[C@H]3CCc4ccccc4C3=NN12 13810146 COBOEWUKKRMQNZ-SIKLNZKXSA-N 359.473 3.824 0 40 FHAB C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)OCO2 14254146 PPRLBYVRNXEPMF-ZDUSSCGKSA-N 361.463 3.752 0 40 FHAB CSCC[C@@H]1CN2CCC[C@H]2CN1Cc1coc2ccc(C)cc2c1=O 19219849 UXJIEXJRIZVFQR-ZWKOTPCHSA-N 372.534 3.503 0 40 FHAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)[C@@H](C)n2nccc2C)n1 19238319 LSZYFXWSWSVKAD-UKRRQHHQSA-N 360.508 3.679 0 40 FHAB CCCc1ccc([C@H](NC(=O)CCNC(=O)c2ccco2)C(C)C)cc1 19311527 OAUSPNSCGHIAFI-HXUWFJFHSA-N 356.466 3.866 0 40 FHAB Cc1nn(C[C@H](C)C(=O)NC2(CN3CCCCC3)CCCCC2)c(C)c1C 19556914 YXJLAUFTKJCLLG-KRWDZBQOSA-N 374.573 3.749 0 40 FHAB CCOC(=O)c1cc2sccc2n1CC(=O)N1CCCc2ccccc21 1338060 NCCBUZSJSBWBSJ-UHFFFAOYSA-N 368.458 3.859 0 40 FHAB Cc1ccccc1CNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408708359 YFRZTLKTLOCVHH-UHFFFAOYSA-N 372.468 3.560 0 40 FHAB CCOc1ccc(NC(=O)c2ccc(OC)c(Br)c2)c(N)c1 226349683 WRURHZBTRKIZBJ-UHFFFAOYSA-N 365.227 3.691 0 40 FHAB CCC(=O)N1CCCCN(CC)C(=O)c2ccccc2OC[C@@H]1CC(C)C 643582656 FLQAZEMASBIEJM-SFHVURJKSA-N 374.525 3.975 0 40 FHAB CCOc1ccc(Oc2cc(CNC(=O)N3CC[C@H]4C[C@@H]4C3)ccn2)cc1 663752141 FICWSHUDSNDZRP-DLBZAZTESA-N 367.449 3.824 0 40 FHAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1Cc1cccc2cccnc12 11282358 BHSZWALKZFBRQP-QFIPXVFZSA-N 357.413 3.518 0 40 FHAB C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc[nH]c2=S)CC1 31214758 FAYTWWRJANNIAR-ZDUSSCGKSA-N 361.898 3.917 0 40 FHAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 1023612 CLDIDNDLLYYBGS-SNVBAGLBSA-N 350.752 3.610 0 40 FHAB Cc1ccccc1NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 11612700 DDPZHAAKZKAPNB-KRWDZBQOSA-N 372.490 3.567 0 40 FHAB CC(C)C(=O)Nc1ccc(SCC(=O)Nc2ccc(C(C)C)cc2)nn1 13702152 NRXVDOVKUZKTRV-UHFFFAOYSA-N 372.494 3.925 0 40 FHAB O=C(CCc1csc(NC(=O)Nc2ccccc2)n1)NCc1ccco1 16848969 ZIPVXUMLJCSGFJ-UHFFFAOYSA-N 370.434 3.629 0 40 FHAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCS[C@H](c2ccco2)CC1 207007162 OKZDPGNOGKMIQI-JXTAAOLFSA-N 357.431 3.728 0 40 FHAB Cc1cc(O[C@@H]2CCCN(C(=O)CCc3cccc(Cl)c3)C2)nc(C)n1 575608296 FKOCAVJBKXRKRQ-GOSISDBHSA-N 373.884 3.749 0 40 FHAB NC(=O)c1cc2cc(Br)ccc2o/c1=N\c1cccc(F)c1 2471386 QNVFSOISHNYPIT-SILNSSARSA-N 361.170 3.666 0 40 FHAB O=C(CN1C(=O)[C@H]2CCCC2=Nc2ccccc21)NCCC1=CCCCC1 102301824 XPBXMYPPDHGNFW-KRWDZBQOSA-N 365.477 3.913 0 40 FHAB O=C1NC2(CCCCCC2)C(=O)N1CN(C1CC1)[C@@H]1CCc2ccccc21 40155483 ZJBZBTAOHZQNQX-LJQANCHMSA-N 367.493 3.741 0 40 FHAB c1coc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCO3)c1 20171570 CDJHPBFOJBZCIC-UHFFFAOYSA-N 356.341 3.957 0 40 FHAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cc2ccccc2oc1=O 31264692 DOGCKXRHFTWYSQ-QGZVFWFLSA-N 365.385 3.603 0 40 FHAB C[C@@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)N1CCCCC1 28869741 QHWGBJHZJXQWJP-LLVKDONJSA-N 350.875 3.618 0 40 FHAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3O)o2)c1 850125 ADEHLPRYLJTBBM-UHFFFAOYSA-N 355.419 3.790 0 40 FHAB O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)Nc1cccc(F)c1 924337 JBERPNORUKUXQM-UHFFFAOYSA-N 371.372 3.515 0 40 FHAB Cc1cccc(C)c1NC(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1 1336363 JYGTVKHRZKVGBO-UHFFFAOYSA-N 368.452 3.976 0 40 FHAB Cc1ccc(OCCCC(=O)NCCc2nc3ccccc3[nH]2)c(C)c1 1914001 MUKYDSLVYAKJMB-UHFFFAOYSA-N 351.450 3.698 0 40 FHAB CN(Cc1ccccc1)C(=S)NC(=O)c1ccccc1Br 3257079 FYMZNMWLPVLHNS-UHFFFAOYSA-N 363.280 3.596 0 40 FHAB CCOc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)O[C@@H]1CCC[C@@H]1C 4084005 FUPVHRSUYOBPNS-WBHUJUFNSA-N 374.506 3.610 0 40 FHAB C[C@H](NC(=O)N[C@@H](c1ccccc1F)c1nccn1C)c1ccccc1F 29330498 BIFKCODWDSBOSY-UGSOOPFHSA-N 370.403 3.848 0 40 FHAB O=C(N/C(=C\c1cccs1)C(=O)N1CCCCCC1)c1ccccc1 4859796 ZKUCFIMLEGIVEM-SDXDJHTJSA-N 354.475 3.922 0 40 FHAB COc1ccc(C(=O)[C@@H](C)Sc2nncn2-c2ccccc2OC)cc1 6534742 MRKZWTLXQKWXDH-CYBMUJFWSA-N 369.446 3.648 0 40 FHAB COc1cccc(NC(=O)[C@@H](Sc2ncccn2)c2ccccc2)c1 6910856 RQWPRRBHBJBZRG-KRWDZBQOSA-N 351.431 3.957 0 40 FHAB Cc1ccc(C)c(OCC(=O)NCc2ccccc2CN2CCCCC2)c1 7696795 UCFCSUZHGRDIMP-UHFFFAOYSA-N 366.505 3.985 0 40 FHAB Cc1cccc(-c2noc(CNC(=O)COc3ccc(C(C)C)cc3)n2)c1 7759602 JHMGIMFLSNZBDS-UHFFFAOYSA-N 365.433 3.864 0 40 FHAB CCOc1cc2c(cc1CNC(=O)CCc1ccc(F)cc1)O[C@@H](C)C2 32741051 ITLLKHFHUZLKLB-AWEZNQCLSA-N 357.425 3.797 0 40 FHAB CCCN1C(=O)[C@@]2(OCc3ccccc3N2C(=O)C2CC2)c2ccccc21 10157821 LZMULPSPPWFXKR-QFIPXVFZSA-N 362.429 3.569 0 40 FHAB S=C(NCc1ccccc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10184214 BCCNACHNKWMUJR-INIZCTEOSA-N 350.491 3.817 0 40 FHAB COc1ccc2ccccc2c1CNn1c(-c2ccncc2)n[nH]c1=S 8494370 POHRTQCXHIFHEW-UHFFFAOYSA-N 363.446 3.908 0 40 FHAB Cc1ccc(C(=O)CCC(=O)OCc2nnc(-c3ccccc3)o2)cc1 8929634 UVBQDZBIEPGUMZ-UHFFFAOYSA-N 350.374 3.751 0 40 FHAB C[C@@H](Sc1nc(Cc2cccs2)n[nH]1)c1nc(-c2ccco2)no1 32809269 UDAZVLJKYZNGJY-SECBINFHSA-N 359.436 3.953 0 40 FHAB COC(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 2645232 RSZIFBRDRZWDDU-AWEZNQCLSA-N 353.447 3.896 0 40 FHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCOc1ccc(Cl)cc1 46574081 NYRLDSNLTGHHTR-UHFFFAOYSA-N 369.852 3.953 0 40 FHAB O=c1[nH]c2sc3c(c2c(=O)n1-c1ccc(Cl)c(Cl)c1)CCCC3 988476 NVTDNZJPMBQNNK-UHFFFAOYSA-N 367.257 3.926 0 40 FHAB COC[C@H](C)N[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 21820018 GNJNNUYVSNVKER-SCLBCKFNSA-N 362.857 3.653 0 40 FHAB COc1ccc(-c2cc(C(=O)O)c3cnn(-c4ccccc4F)c3n2)cc1 12396035 AQJSJTYRIQSBLW-UHFFFAOYSA-N 363.348 3.933 0 40 FHAB COC(=O)[C@H]1CCC[C@@H]1NC(=O)Nc1ccccc1COc1ccccc1 75109827 RPIYJYCQFQSCEU-HKUYNNGSSA-N 368.433 3.729 0 40 FHAB C[C@H](OC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)C(=O)c1c[nH]c2ccccc12 25107637 WIMYRCCAQOKXBX-VOJFVSQTSA-N 369.804 3.939 0 40 FHAB COc1ccc(OC[C@@H]2[C@H]3CC[C@@H](C3)N2C(=O)c2cnn(C(C)C)c2)cc1 100113355 KKSLSPNZYHPJLR-RIFZZMRRSA-N 369.465 3.545 0 40 FHAB CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(Oc2ccc(OCC)cc2)cc1 25426281 LRJQHUQJJHMFGI-CQSZACIVSA-N 371.437 3.524 0 40 FHAB C[C@H](NC(=O)CN1C(=O)CSc2ccccc21)c1ccccc1Cl 57707182 FZIKRPZOIMTHRD-LBPRGKRZSA-N 360.866 3.656 0 40 FHAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2cccc(OC)c2)c1C 20035702 MPWRLSKGEZQNMD-IBGZPJMESA-N 371.433 3.976 0 40 FHAB COc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)cc1 20141673 HJCRRXKHKUFBOU-UHFFFAOYSA-N 353.374 3.708 0 40 FHAB O=C(Nc1ccc(-c2nnco2)cc1)c1cc(-c2ccccc2F)on1 58292375 XKLANTQABZRJLC-UHFFFAOYSA-N 350.309 3.783 0 40 FHAB Cc1cccc(N2C[C@@H](C(=O)NC[C@@H](C)c3ccccc3)CC2=O)c1C 23444676 GRLDDMHKLSNXBJ-APWZRJJASA-N 350.462 3.576 0 40 FHAB COc1cccc(CNC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 9679459 AVTFULGOKSOHIF-MRXNPFEDSA-N 364.449 3.661 0 40 FHAB Cc1ccc(OCC(=O)NCCc2csc(-c3ccccc3)n2)cc1 27992256 DJVUUHZBENHZBN-UHFFFAOYSA-N 352.459 3.856 0 40 FHAB C[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCc2sccc2C1 45019693 IQSRMHVLFHNKBK-YUELXQCFSA-N 374.472 3.980 0 40 FHAB CC(C)c1ccc(NC(=O)CNc2ccccc2C(=O)NC2CC2)cc1 10753032 MUSFHIMFNCGMEF-UHFFFAOYSA-N 351.450 3.753 0 40 FHAB COC(=O)c1cc(CNC(=O)CCCSc2ccccc2)ccc1OC 3333795 DPLCSGSJUUJJFT-UHFFFAOYSA-N 373.474 3.671 0 40 FHAB Cc1cccc(C(=O)NCCC(=O)OCc2ccccc2C(F)(F)F)c1 12764787 QFANQBFPIFVPMK-UHFFFAOYSA-N 365.351 3.877 0 40 FHAB Cc1csc(=O)n1CCC(=O)N[C@@H](c1cccs1)C1CCCC1 48300253 UENXRPBBYGACQD-MRXNPFEDSA-N 350.509 3.718 0 40 FHAB COc1ccc2cc(C(=O)Nc3ccc(-n4cccn4)c(F)c3)[nH]c2c1 48303394 DBCZIBNSYBRZQO-UHFFFAOYSA-N 350.353 3.754 0 40 FHAB Cc1cccc(-c2nnc(S)n2CC(=O)NCc2ccccc2Cl)c1 12986217 GRFZGKXNPJKABA-UHFFFAOYSA-N 372.881 3.512 0 40 FHAB CS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 12930494 AVQPYLDFXLWWMF-UHFFFAOYSA-N 363.438 3.914 0 40 FHAB NC(=O)c1ccc(NC(=O)COc2cccc(Oc3ccccc3)c2)cc1 3564461 FFEKSONUHMNXDW-UHFFFAOYSA-N 362.385 3.595 0 40 FHAB Cc1cc(C)n(-c2nc(C)c(Br)c(N3CCC(C)CC3)n2)n1 13626947 SCHMUKMZJKFTHT-UHFFFAOYSA-N 364.291 3.586 0 40 FHAB O=C(c1ccc2ncccc2c1)N1CCN(c2ccc(Cl)cc2)CC1 71120176 ZKMMIERBUCHNHN-UHFFFAOYSA-N 351.837 3.851 0 40 FHAB COc1ccc2c(ccn2CC(=O)Nc2nc(-c3cccnc3)cs2)c1 71284334 VFZQVEJFHDVHQE-UHFFFAOYSA-N 364.430 3.807 0 40 FHAB Cc1cccc(C)c1NC(=O)CNC(=O)c1cc2c(s1)CC[C@@H](C)C2 5273319 NRLOUJKEDJZFMW-GFCCVEGCSA-N 356.491 3.858 0 40 FHAB COc1ccc(NC(=O)CCCc2nc(-c3ccc(OC)cc3)no2)cc1 4433243 FTTIWBNAKLHZSO-UHFFFAOYSA-N 367.405 3.715 0 40 FHAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2ccc(Cl)s2)C1=O 69820817 QDHPTRUGNBEVLA-HNNXBMFYSA-N 356.781 3.647 0 40 FHAB CCCCc1cc(=O)oc2cc(OCC(=O)Nc3ccccn3)ccc12 6672030 KGBYJJZJRXIKRH-UHFFFAOYSA-N 352.390 3.548 0 40 FHAB CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(OC)ccc21 22235681 CATWZTPMYORUIU-UHFFFAOYSA-N 370.836 3.613 0 40 FHAB C[C@H](NC(=O)[C@@H](C)Sc1nnc(-c2ccco2)o1)c1ccc(F)cc1 4828542 UJSRANGXRNMVJS-WDEREUQCSA-N 361.398 3.827 0 40 FHAB CCOc1ccc([C@H](C)NC(=O)[C@@H]2COc3ccccc3O2)cc1OCC 6881188 PESCWVQMGRPQRO-XOBRGWDASA-N 371.433 3.501 0 40 FHAB COc1ccc(CNC(=O)[C@@H](C)Sc2nc3ccc(C)cc3[nH]2)cc1 5927825 GSCNHPUUCAGZPI-CYBMUJFWSA-N 355.463 3.677 0 40 FHAB C[C@H]1C[C@@H](C)CN(C(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)C1 15434101 WOAJEAHNEXZLSY-GASCZTMLSA-N 362.429 3.605 0 40 FHAB CC(C)n1cnnc1SCC(=O)N[C@H](c1ccccc1)c1cccs1 7289445 CTXUWINEQBPQFA-QGZVFWFLSA-N 372.519 3.918 0 40 FHAB COc1ccc(-c2csc(NC(=O)CCc3c(C)noc3C)n2)cc1 7400640 KZWNZTCLIKZCCX-UHFFFAOYSA-N 357.435 3.995 0 40 FHAB Nc1ccccc1Sc1nc(Br)nn1Cc1ccccc1 9142763 GPDGVNFRECOREM-UHFFFAOYSA-N 361.268 3.822 0 40 FHAB O=C(O)CCCN1C(=O)/C(=C\c2csc3ccccc23)SC1=S 96291367 KLNASBCJBABITI-MDWZMJQESA-N 363.485 3.967 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)N3CCCCCCC3)n2C)cc1 9500603 QRUHTWGZMFGBIZ-UHFFFAOYSA-N 358.511 3.675 0 40 FHAB O=C(Nc1cccnc1N1CCCC1)N1CC(Oc2ccccc2Cl)C1 89814454 BGPQWYOSTOZJDM-UHFFFAOYSA-N 372.856 3.630 0 40 FHAB O=C(NC1(c2cccc(Br)c2)CCOCC1)[C@@H]1C[C@H]1C1CC1 84363428 LEKPYSIDTQNNEY-JKSUJKDBSA-N 364.283 3.617 0 40 FHAB O=C(N[C@H]1CCCOc2ccc(F)cc21)[C@@H](c1ccccc1)n1cccn1 84519381 NBAYLNFXEGSOPS-AZUAARDMSA-N 365.408 3.642 0 40 FHAB C[C@@H]1C[C@H](NC(=O)COc2ccc(Cl)cc2)CCN1Cc1ccccc1 95408969 KCGKQJKCNOZBBR-VQIMIIECSA-N 372.896 3.888 0 40 FHAB CCC[C@](C)(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C(=O)OC 95997162 WEGZQUTWQNKXDK-KRWDZBQOSA-N 369.387 3.713 0 40 FHAB COc1ccccc1NC(=O)c1ccc(NCc2nnc(C3CC3)o2)cc1 86198682 UCJKGZYCIDEYJE-UHFFFAOYSA-N 364.405 3.820 0 40 FHAB COC(=O)c1cc(NC(=O)c2cccc3c2O[C@H](C)[C@@H]3C)cc(F)c1F 75093538 KUIKOZYQXOQPKN-VHSXEESVSA-N 361.344 3.888 0 40 FHAB Cn1c(=O)oc2cc(NC(=O)[C@H](OC3CCCC3)c3ccccc3)ccc21 78479765 TVVPZZHTRFJJKZ-LJQANCHMSA-N 366.417 3.771 0 40 FHAB O=C(CC1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1)N1CCCC1 78939226 PSHJNECZDILLFF-CVEARBPZSA-N 374.447 3.606 0 40 FHAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N(CCO)Cc1ccccc1 79642127 NVSOFSYAAZFCBS-UHFFFAOYSA-N 368.433 3.755 0 40 FHAB Cc1nccn1-c1ccccc1CNC(=O)c1ccc(Br)cc1 20040171 DACSGVZBJBHCFD-UHFFFAOYSA-N 370.250 3.873 0 40 FHAB O=C(c1ccsc1)N1CC[C@@]2(CCn3c(-c4cccs4)cnc32)C1 306144175 YXZXODRTHQZIIN-GOSISDBHSA-N 355.488 3.861 0 40 FHAB COc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)ccc1OC(C)C 33337382 AOCCODYVKOJNMC-BOPFTXTBSA-N 366.417 3.575 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1C(=O)NC(C)C 408586528 ALHBSGHUJKUOMW-UHFFFAOYSA-N 360.479 3.551 0 40 FHAB CCc1ccccc1O[C@H](C)C(=O)NCc1nc(-c2cccc(C)c2)no1 219296315 SJHIPMLNAHYZRF-OAHLLOKOSA-N 365.433 3.691 0 40 FHAB COc1cccc(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)c1OC 32069830 BIXHNKVMWBIEJQ-UHFFFAOYSA-N 350.418 3.990 0 40 FHAB Cc1nnc(S/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)O)o1 211527478 AMQPFLVHFDMGKG-ZSOIEALJSA-N 372.358 3.554 0 40 FHAB Clc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccncc3)n2)c1 72322141 IVUXSXANMXFTSK-SFHVURJKSA-N 354.841 3.699 0 40 FHAB biogenic,in-vitro COc1ccc(OCCNC(=O)CSCc2cc(C)cc(C)c2)cc1 223401516 VIBJUASZQZFIBR-UHFFFAOYSA-N 359.491 3.740 0 40 FHAB Fc1ccc(CCCNC(=S)Nc2ncc(Cl)nc2Cl)cc1 223968185 KZMMKRCKVBHTAU-UHFFFAOYSA-N 359.257 3.842 0 40 FHAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccs2)N1Cc1ccccn1 223521373 XMDBOCQBGPYPHK-IRXDYDNUSA-N 352.488 3.711 0 40 FHAB COc1ccc(CN2CC[C@H]3COC(=O)N3c3cc(F)ccc3C2)cc1 225484308 ZUFHFIZDODMABV-KRWDZBQOSA-N 356.397 3.565 0 40 FHAB biogenic,in-vitro C[C@@H](NS(=O)(=O)CC1CCCCC1)c1nc2ccccc2n1C(F)F 331945556 NKMKVWALBRXNGX-GFCCVEGCSA-N 371.453 3.992 0 40 FHAB Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CCN(Cc2cccnc2)C1 96244653 BXHGOTKHDZBRSN-QHCPKHFHSA-N 372.472 3.521 0 40 FHAB O=C(Nc1ccccc1)[C@@H]1CN(Cc2ccsc2)CC12CCOCC2 96052247 FCOXYCLYFWLNRY-SFHVURJKSA-N 356.491 3.615 0 40 FHAB Cc1cc(C(=O)N2CCC(c3cccc(-c4c(C)noc4C)n3)CC2)on1 257311988 ULXORZAAFWRZRW-UHFFFAOYSA-N 366.421 3.670 0 40 FHAB CCc1cc(N2CC[C@@H](c3ccccc3)[C@@H](CO)C2)nc(-c2ccccn2)n1 585082735 UDPWNFTXJPXNAF-QUCCMNQESA-N 374.488 3.703 0 40 FHAB CC[C@](C)(COc1ncccc1Cl)NC(=O)c1ccc2c(c1)CCOC2 585107091 RQAXIHXNESFGTD-HXUWFJFHSA-N 374.868 3.785 0 40 FHAB O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccccc3F)N2C(=O)C2CCCC2)N1 257328212 XERFBBSQXQUOIL-QYZOEREBSA-N 358.457 3.717 0 40 FHAB N[C@@H](CCNC(=O)Nc1cccc(C2CCOCC2)c1)Cc1ccccc1 632956123 OMTCFSNMWDOUBI-FQEVSTJZSA-N 367.493 3.662 0 40 FHAB O=C(C1CC(c2ccc(F)cc2)C1)N1CCC[C@H](Oc2ncccc2F)C1 644680501 LFQBNTMOUDZFSU-HTWSVDAQSA-N 372.415 3.923 0 40 FHAB CCc1nc(C2(NC(=O)c3csc(Br)c3)CCCC2)no1 674099210 VWXIPHUKLHPKAT-UHFFFAOYSA-N 370.272 3.655 0 40 FHAB CC(C)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1CCC1)C2 585107149 PZRBJGSAOLELPR-QFIPXVFZSA-N 364.493 3.576 0 40 FHAB CC(C)C(=O)Nc1c(-c2ccccn2)nsc1C(=O)NC1CCCCC1 49007722 VBKDZAHUXDXYHD-UHFFFAOYSA-N 372.494 3.862 0 40 FHAB Cc1c(Cl)cccc1NC(=O)c1c(F)ccc(S(C)(=O)=O)c1F 79071991 MJYSDXKMWPOMRY-UHFFFAOYSA-N 359.781 3.582 0 40 FHAB O=C(NNc1ccc(Cl)nn1)N[C@H](c1cccs1)C1CCCC1 95351438 SOBPXXFXGLCZBD-AWEZNQCLSA-N 351.863 3.749 0 40 FHAB CCN(Cc1ccc(C(=O)N2CCN(C(C)(C)CC)CC2)cc1)C(C)C 1164085112 VZSHXPJMTCADEB-UHFFFAOYSA-N 359.558 3.863 0 40 FHAB Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)c1cccnc1 1087893 MRPNVNZSOGGOCD-UHFFFAOYSA-N 363.339 3.742 0 40 FHAB CCN1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccccc2)CC1 5089690 PCCKMFINWWYNPC-UHFFFAOYSA-N 357.885 3.663 0 40 FHAB O=C1C[C@H](c2ccc(F)cc2)Cc2nc(NCCc3ccco3)ncc21 5425509 GRCJNLSTXZLOBS-CQSZACIVSA-N 351.381 3.776 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)C1(c2ccccc2)CC1)c1ccc(F)c(F)c1 12115019 HFDUKVMTRNBPAW-SFHVURJKSA-N 367.399 3.636 0 40 FHAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc2c(=O)n3c(nc2c1)CCC3 13012309 MBMGOZOUZBEGPQ-UHFFFAOYSA-N 374.227 3.902 0 40 FHAB COc1ccccc1-c1noc(CCCC(=O)Nc2ccc(F)cc2)n1 13483856 SWQIJYFLUAFXMV-UHFFFAOYSA-N 355.369 3.846 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(I)cc1 13646942 KQKILONEUOROLO-NSHDSACASA-N 363.198 3.883 0 40 FHAB COc1ccc(OCCCC(=O)Nc2ccccc2C(=O)NC(C)C)cc1 14396246 IJFJYDNGXVLWSO-UHFFFAOYSA-N 370.449 3.631 0 40 FHAB CNc1cc(C2CCN(C(=O)C(C)(C)C)CC2)nc(-c2cnc(C)s2)n1 19287370 CGNSPPLEXWKXMJ-UHFFFAOYSA-N 373.526 3.702 0 40 FHAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)[C@@H]3C[C@H]3C)cc2N1 19463303 IJGDDOAODONPPB-JIFFNSBPSA-N 356.392 3.510 0 40 FHAB CNC(=O)[C@@]1(Cc2cc(C(C)C)no2)CCN(c2ccc(Cl)cc2)C1 19704890 FRHKUVQZJTXUOX-LJQANCHMSA-N 361.873 3.637 0 40 FHAB O=S(=O)(NCCc1c[nH]c2ccc(O)cc12)c1cccc2ccccc12 5905277 WCWKYYLSZZIDRL-UHFFFAOYSA-N 366.442 3.548 0 40 FHAB O=S(=O)(c1ccc(Cl)cc1)c1ccc(-c2nnc(S)s2)cc1 5676304 ITCSPBVADVIWKM-UHFFFAOYSA-N 368.892 3.980 0 40 FHAB Cc1nc(C)c(C)c(OCC2CCN(c3nc4cnccc4s3)CC2)n1 1888903945 KRESYYROTDGRJH-UHFFFAOYSA-N 369.494 3.702 0 40 FHAB Cc1cnc(N(C)[C@H]2CCCN(c3ncc(Cl)cc3Cl)C2)nc1 1889103561 STNSMWASGPTGBR-ZDUSSCGKSA-N 352.269 3.592 0 40 FHAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)CN2CCC(C)CC2)[C@H]3CCC1 1422579 GACWYYVKEWQYPY-NRFANRHFSA-N 365.521 3.901 0 40 FHAB Cc1nc(CCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cs1 4166851 JWSINOBLYALSLJ-UHFFFAOYSA-N 374.487 3.765 0 40 FHAB CSc1cccc2sc(NC(=O)[C@H]3COc4ccccc4O3)nc12 5299268 LAZYDULYQHTEMH-GFCCVEGCSA-N 358.444 3.797 0 40 FHAB Cc1ccc(N2C[C@@H](CNC(=O)NCc3ccc(Cl)cc3)CC2=O)cc1 9040521 RRFSQOLWDVXTRF-MRXNPFEDSA-N 371.868 3.501 0 40 FHAB Cc1cc(C(=O)N(Cc2ccco2)c2nc3c(F)cccc3s2)n(C)n1 9200851 JYFPABGWFCAJMP-UHFFFAOYSA-N 370.409 3.917 0 40 FHAB O=S(=O)(NC[C@@H]1CCCN1c1ccccc1)c1cccc2ccccc12 211121759 LLSWUBUQJUILNP-IBGZPJMESA-N 366.486 3.787 0 40 FHAB O=C(c1cnn(-c2ccccc2)n1)N1CCS[C@H](c2ccccc2)CC1 211139008 PUZNWLCQYLINGZ-IBGZPJMESA-N 364.474 3.588 0 40 FHAB COc1cccc2cc(C(=O)NCc3nccnc3-c3ccsc3)oc12 575619749 PFSXRSXUOGDSLG-UHFFFAOYSA-N 365.414 3.890 0 40 FHAB Cc1cccnc1OCC1CCN(C(=O)c2ccc3ccccc3n2)CC1 585525739 AYXRRNQFQFTRAH-UHFFFAOYSA-N 361.445 3.869 0 40 FHAB Cc1ccc(N2C[C@@H](C(=O)N3[C@H]4CC[C@H]3CC(=C3CC3)C4)CC2=O)cc1C 618257670 ZTNIXZXFODFIAI-JBACZVJFSA-N 364.489 3.900 0 40 FHAB Cc1ccc(NC(=O)CN2CCC(COc3ccncc3Cl)CC2)cc1 2298124933 HDEULUNVSHWYDX-UHFFFAOYSA-N 373.884 3.773 0 40 FHAB COc1cccc(-c2csc(-c3nnn(-c4ccc(C)cc4)c3N)n2)c1 33265151 ILHZZZCXSOSHOF-UHFFFAOYSA-N 363.446 3.957 0 40 FHAB CCCC(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 112117983 OLOUKXJOBHKFTB-QGZVFWFLSA-N 368.458 3.849 0 40 FHAB Cc1nc(COc2ccccc2/C=C/C(=O)N2C[C@@H](C)O[C@H](C)C2)cs1 40032222 IYEIIZIHKKTLLP-VMFRVMOISA-N 372.490 3.680 0 40 FHAB CN(Cc1nnsc1Cl)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 108064442 KOGVMNVBQASQFP-NEPJUHHUSA-N 364.685 3.588 0 40 FHAB CC(=O)Nc1ccc(CC(=O)Nc2ccc(N3CCCC3)c(C)c2)cc1 11325920 UADHQIIFEQBSCA-UHFFFAOYSA-N 351.450 3.735 0 40 FHAB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)N1CCCCC1 901927 CXSHLFSYOANMSM-UHFFFAOYSA-N 371.384 3.860 0 40 FHAB O=C(CSc1nnc(CNc2ccc(F)cc2)o1)OC1CCCCC1 917168 ILBNTEAQWWPXQW-UHFFFAOYSA-N 365.430 3.789 0 40 FHAB CC(=O)Nc1nonc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 1095779 INZRVIHYCRHXDA-UHFFFAOYSA-N 371.205 3.802 0 40 FHAB Cc1ccc(OCCCC(=O)Nc2nnc([C@@H]3CCCO3)s2)c(C)c1 1903967 OYRSOADWRYBUEB-HNNXBMFYSA-N 361.467 3.804 0 40 FHAB CCOC(=O)CSc1nc2sc(CC)cc2c(=O)n1-c1ccccc1 3180826 CURFFXZUJNLHDL-UHFFFAOYSA-N 374.487 3.665 0 40 FHAB CC(C)N(C(=O)CSc1ncnc2c1cnn2-c1ccccc1)C(C)C 3550332 FBCWBPZULWRALU-UHFFFAOYSA-N 369.494 3.553 0 40 FHAB O=C(COc1ccc(Oc2ccccc2)cc1)NCc1cn2ccccc2n1 100917722 RKOHBGHQIUGKHH-UHFFFAOYSA-N 373.412 3.822 0 40 FHAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2C)cc1 4860541 VWQAGFRQTGWYRL-UHFFFAOYSA-N 372.450 3.513 0 40 FHAB CCCn1c(SCC(=O)N2CCCCCC2)nnc1-c1ccoc1C 4860829 GEZIYKAAFJOYOQ-UHFFFAOYSA-N 362.499 3.751 0 40 FHAB CC(C)c1ccc(C(=O)N2CCN(c3cnc4ccccc4n3)CC2)cc1 29525857 KSJWXSDPZKBYLO-UHFFFAOYSA-N 360.461 3.716 0 40 FHAB C[C@H](OC(=O)CCc1nc(-c2cccs2)no1)C(=O)c1ccccc1 29517586 BXKZRJABTXZPER-LBPRGKRZSA-N 356.403 3.545 0 40 FHAB Cc1ccc(S(=O)(=O)[C@@H](CN2CCCCC2)C(=O)c2ccccc2)cc1 55107245 RBFYUNLUTIBTEA-FQEVSTJZSA-N 371.502 3.506 0 40 FHAB Cc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1cccc(C(F)(F)F)c1 2713234 ISFFWUZGGGBRGL-UHFFFAOYSA-N 364.302 3.986 0 40 FHAB COc1ccc(CN(C)C(=O)c2cc(-c3csc(C)n3)c[nH]2)cc1F 52527019 LTOAWJPYXMMVDE-UHFFFAOYSA-N 359.426 3.867 0 40 FHAB Cc1ccc(C(=O)Oc2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)cc1 102549018 NBYQZCAQUFCGBY-FVCZOJIISA-N 373.408 3.526 0 40 FHAB CNC(=O)c1cc(Cl)ccc1NC(=O)c1coc(-c2ccccc2)n1 78067963 ZOTYWAXBBKGUHB-UHFFFAOYSA-N 355.781 3.607 0 40 FHAB CCCN(Cc1ccc(C)cc1)Cn1nc(-c2ccc(F)cc2)oc1=O 32932597 LHEYOADIKHSRLO-UHFFFAOYSA-N 355.413 3.821 0 40 FHAB C[C@H](Oc1ccccc1F)C(=O)Nc1noc(-c2ccc(Cl)cc2)n1 21800633 OBAMDXVMGHAUMH-JTQLQIEISA-N 361.760 3.935 0 40 FHAB CC(C)(C)n1ccc2c(cnc3nc(-c4ccccc4Cl)nn32)c1=O 12389498 CPLOOAIOLVFFLT-UHFFFAOYSA-N 353.813 3.515 0 40 FHAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC3CCCC3)ccc2C)c1 28493365 ZREMCSHBFQMVPO-UHFFFAOYSA-N 372.490 3.777 0 40 FHAB CN(C)c1ccc(/C=C2/SC(=O)N(CCOc3ccccc3)C2=O)cc1 976736 XEVYQXBEQWLFAU-NBVRZTHBSA-N 368.458 3.868 0 40 FHAB CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(CN2CCCC2=O)cc1 25452939 NQARKDBZJIQBEI-UHFFFAOYSA-N 374.843 3.874 0 40 FHAB Cc1ccc([C@](O)(CCNc2cnc3ccccc3n2)C(F)(F)F)o1 42619960 NIMBAYLGXVSZAC-MRXNPFEDSA-N 351.328 3.783 0 40 FHAB O=C(O)c1cccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1 12541594 JBIMIIHYQULNIN-UHFFFAOYSA-N 352.220 3.554 0 40 FHAB O=C([C@@H]1C[C@H]1c1ccncc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 106159959 MPJSGBOEATWGKO-IPMKNSEASA-N 364.445 3.710 0 40 FHAB Cc1nc2cc(F)cc(C(=O)NCCc3c(F)cccc3F)c2nc1C 55446348 BWJRHEWQWMDSRP-UHFFFAOYSA-N 359.351 3.636 0 40 FHAB COc1ccccc1-c1cc(C(=O)Nc2cccc(Cn3ccnc3)c2)no1 25182046 IOBIBYDEVNIDIM-UHFFFAOYSA-N 374.400 3.847 0 40 FHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C[C@@H]1C=CCC1 57767181 DNJQVEZRZZVHCA-CYBMUJFWSA-N 354.372 3.849 0 40 FHAB O=c1/c(=C/c2ccccc2Cl)sc2nc(/C=C/c3ccccc3)nn12 27021806 NUFNILODNLTCIO-ZBUTWXCBSA-N 365.845 3.523 0 40 FHAB O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1cnn2cccnc12 44611664 JHGGAYSXWRCBDB-UHFFFAOYSA-N 369.837 3.682 0 40 FHAB Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2)cc1 2078019 STXBNUPMRGHCJO-UHFFFAOYSA-N 359.809 3.793 0 40 FHAB COc1ccc([C@H]2CCCN2CC(=O)NCc2ccc(C)c(F)c2)cc1 10053777 PXEMPMCLEAYVDO-HXUWFJFHSA-N 356.441 3.596 0 40 FHAB C[C@@H](OC(=O)c1ccccc1O)C(=O)Nc1nc(-c2ccccc2)cs1 3301246 UQNKZACSSVVQCQ-GFCCVEGCSA-N 368.414 3.700 0 40 FHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(F)cc2)cc1C 2191084 ZAIBTNJHOBLQJM-UHFFFAOYSA-N 357.381 3.587 0 40 FHAB C[C@@H](NC(=O)CCc1ccc(Br)cc1F)c1ccccn1 58215435 DVCUFPGLGHKLQE-LLVKDONJSA-N 351.219 3.793 0 40 FHAB COc1ccc2c(CN(C)CCOc3cccc(Cl)c3)cc(=O)oc2c1 12756326 NPPDJWLUMNKKFT-UHFFFAOYSA-N 373.836 3.966 0 40 FHAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc(-n2cncn2)cc1 12974664 MRBRBQZXPWWLGH-UONOGXRCSA-N 370.840 3.565 0 40 FHAB CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)NC(C)(C)C)c1 7724192 SUCHXYOCBBEBQC-UHFFFAOYSA-N 360.479 3.578 0 40 FHAB CCCNC(=O)[C@H]1CCCN1c1cc(C(F)(F)F)nc2ccccc12 13007230 FDZMIUPLDJVMQB-CQSZACIVSA-N 351.372 3.749 0 40 FHAB C[C@@H](NC(=O)CSc1ccc2c(c1)CCC2)c1ccc2c(c1)OCCO2 7780212 VFYLIQFBFVBRQU-CQSZACIVSA-N 369.486 3.916 0 40 FHAB Cc1cc(=O)oc2cc(NC(=O)COc3ccc(F)c(Cl)c3)ccc12 17074464 LMRKREQNHOJKLF-UHFFFAOYSA-N 361.756 3.911 0 40 FHAB O=C(Nc1ccccc1N1CCOCC1)c1ccccc1C(F)(F)F 7842635 UEIZDHNDWAMQIC-UHFFFAOYSA-N 350.340 3.794 0 40 FHAB FC1(F)Oc2ccc(NC(=S)N3CCC[C@H]3c3ccncc3)cc2O1 63669183 QDTMJXZOKBFPOT-ZDUSSCGKSA-N 363.389 3.937 0 40 FHAB CC(C)(C)c1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 5094272 WTDWHNFOEIXRNJ-UHFFFAOYSA-N 370.468 3.851 0 40 FHAB Cc1nc(-c2ccccc2F)sc1C(=O)N=c1[nH]c2ccccc2[nH]1 13721737 NJNGUOUSKNPXFQ-UHFFFAOYSA-N 352.394 3.808 0 40 FHAB CCCCOc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1OCC 8038689 FHHPAZMQFGOTFK-UHFFFAOYSA-N 368.433 3.863 0 40 FHAB Cc1cc(C(=O)COC(=O)c2cc(Br)c[nH]2)c(C)n1C1CC1 39984242 HRFYXFYWJMJMTR-UHFFFAOYSA-N 365.227 3.570 0 40 FHAB Cc1ccccc1-c1noc(CNc2cc3c(cc2Cl)NC(=O)CO3)n1 65478241 JNIWGGCTVUNCLD-UHFFFAOYSA-N 370.796 3.641 0 40 FHAB COc1ccc(C)cc1-n1ccc(C(=O)Nc2cnc3ccccc3c2)n1 65541975 YCBWWDYNYPYAAX-UHFFFAOYSA-N 358.401 3.990 0 40 FHAB CC[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)n1cnc2ccccc2c1=O 5307941 NSGOQHKQBADTRD-INIZCTEOSA-N 359.788 3.779 0 40 FHAB COc1cccc(C(=O)N[C@H](C)c2ccc(Br)cc2)c1O 14120907 OEXCDFXFSRQRFR-SNVBAGLBSA-N 350.212 3.654 0 40 FHAB COc1ccc(Nc2nc(COC(=O)c3ccc(O)cc3O)cs2)cc1 6534610 YNXRFUOLSMIRND-UHFFFAOYSA-N 372.402 3.664 0 40 FHAB Cc1noc(C)c1COc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1 6646529 MSEDQSKSJBORJG-UHFFFAOYSA-N 362.389 3.999 0 40 FHAB Cc1noc(C)c1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 14581600 SRTYBDILJRZIMH-UHFFFAOYSA-N 364.427 3.827 0 40 FHAB CCOc1ccc(C(=O)OCC(=O)Nc2ccc(CC)cc2)cc1OCC 4846272 PLXLCFPEMZJZKB-UHFFFAOYSA-N 371.433 3.842 0 40 FHAB COc1cc(OC)c(NC(=O)c2ccc(N3CCCC3)nc2)cc1Cl 83919901 OGOQXIIJTHDGNG-UHFFFAOYSA-N 361.829 3.605 0 40 FHAB O=S(=O)(NC[C@@H](O)c1cccc2ccccc12)c1cccc(Cl)c1 70761499 FNIGLKBHRGLAIU-GOSISDBHSA-N 361.850 3.505 0 40 FHAB O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc2ccccc2c1 8988380 CNPIQYOZWXGXPY-GOSISDBHSA-N 358.441 3.618 0 40 FHAB Cc1cc(C)n(CCCNC(=O)c2cc(Br)ccc2Cl)n1 9128908 HAKSNQVHLOCBEL-UHFFFAOYSA-N 370.678 3.736 0 40 FHAB COCc1cccc(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c1 72294181 CGPXEKSHESRPAP-SFHVURJKSA-N 367.493 3.961 0 40 FHAB O=C(c1cccnc1)N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1 9307627 TZQKVYFTQCFKMY-UHFFFAOYSA-N 361.445 3.898 0 40 FHAB CCCCCN(CC(=O)N(C)CC(=O)Nc1ccccc1Cl)C(C)C 71802076 AWFBUCIOTPBDFP-UHFFFAOYSA-N 367.921 3.638 0 40 FHAB O=C(N[C@@H]1COc2ccccc21)N1CCO[C@@H](c2ccc(Cl)cc2)C1 71844080 LAUVVIOHTRLRRG-SJLPKXTDSA-N 358.825 3.557 0 40 FHAB C[C@@H](NC(=O)c1noc2c1CCCCC2)c1nc(-c2ccc(F)cc2)no1 97165953 SPZNIISKMBBDMX-LLVKDONJSA-N 370.384 3.624 0 40 FHAB CCOC(=O)C[C@H](OC(=O)[C@H]1C[C@@H]1C)c1ccc(Br)cc1 95444257 PFMXUKXXNQXJMQ-BPNCWPANSA-N 355.228 3.643 0 40 FHAB Cc1cc(C)n(-c2ccccc2NC(=O)Nc2c[nH]nc2-c2ccccn2)n1 95454898 SJUUTBKFRWKARD-UHFFFAOYSA-N 373.420 3.918 0 40 FHAB Cc1ccc(Cc2cnc(NC(=O)Cc3c(C)nn(C)c3C)s2)cc1 9949474 MQKOTGYOHMNRSC-UHFFFAOYSA-N 354.479 3.574 0 40 FHAB O=C(CCc1ccsc1)Nc1nc2ccccc2nc1N1CCCC1 24903243 AWCDURFZRNZPGP-UHFFFAOYSA-N 352.463 3.863 0 40 FHAB CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc(Br)cc2)C1 67801164 UYZZAGNHGKVPQM-CQSZACIVSA-N 355.276 3.548 0 40 FHAB COc1ccc(OC)c(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 38834775 VBXHZWNUQHQSCD-MRXNPFEDSA-N 372.440 3.694 0 40 FHAB O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38849070 ILNISRZLVAETCD-HOCLYGCPSA-N 371.308 3.501 0 40 FHAB CC(C)(C)C1CCC(NC(=O)C(=O)NCc2ccccc2Cl)CC1 408710257 VDEVQXPXSSJUSZ-UHFFFAOYSA-N 350.890 3.677 0 40 FHAB CCOC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)c2cccnc2)C=C1C 30882361 FAQNBRHHZXZATJ-FHWLQOOXSA-N 358.482 3.619 0 40 FHAB biogenic,in-vitro Cc1ccc(NC(=S)NCc2ccccc2CN2CCOCC2)cc1C 38229598 YZSMVHZWNGRBJE-UHFFFAOYSA-N 369.534 3.622 0 40 FHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1nc(-c2cccs2)no1 219334046 JQSPHFVFMKMAQS-OAHLLOKOSA-N 371.462 3.889 0 40 FHAB Cc1cccc(Oc2nccnc2C2CCN(C(=O)c3ccncc3)CC2)c1 72362125 DESHLAJPZOQKRA-UHFFFAOYSA-N 374.444 3.992 0 40 FHAB C[C@@H](CCc1n[nH]c2ccccc12)NCc1ccc(C[S@](C)=O)cc1 556897261 LIIXHSINCVJLPH-MQNRADLISA-N 355.507 3.552 0 40 FHAB COc1ccc(-c2[nH]ncc2C(=O)NCc2cccc(Cl)c2)cc1OC 72329274 NPBSNMSGGFNQBK-UHFFFAOYSA-N 371.824 3.677 0 40 FHAB Cc1ccnn1[C@@H](C)C(=O)NCc1nc(-c2ccc(Cl)cc2)cs1 72243344 PNOAVJWOCCTBAJ-LBPRGKRZSA-N 360.870 3.846 0 40 FHAB CCc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 38752038 SBUGDGMSWWCUIM-UHFFFAOYSA-N 352.843 3.526 0 40 FHAB Cc1cc(NC(=O)CSCc2c(C)noc2C)n(Cc2ccccc2)n1 128263619 AKKFCTQWAFWCBE-UHFFFAOYSA-N 370.478 3.717 0 40 FHAB CCc1cccc(CC)c1NC(=O)c1ccc(NC(=O)/C=C\C(=O)O)cc1 38784947 LHCMLILYUCZHFC-SEYXRHQNSA-N 366.417 3.643 0 40 FHAB O=C(NCc1ccc(Cl)cc1)c1ccc(CN2CCCCC2=O)cc1 31550677 MLWZOXIIIGJKQO-UHFFFAOYSA-N 356.853 3.783 0 40 FHAB CSc1ccc(CNC(=O)CCc2nc(-c3cccc(F)c3)no2)cc1 72332153 WLSSCRKQWSFNKV-UHFFFAOYSA-N 371.437 3.847 0 40 FHAB CCOc1ccccc1CNC(=O)CSc1ccc(OC)c(OC)c1 44884486 WALLVRIQLNGMSA-UHFFFAOYSA-N 361.463 3.511 0 40 FHAB Cc1ccc(NC(=O)CCCCCNS(=O)(=O)c2ccccc2)c(C)c1 40142999 RZSUOEGNXXAOOL-UHFFFAOYSA-N 374.506 3.781 0 40 FHAB CCc1ccccc1NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 139864122 CAOVECPQIJQTFC-UHFFFAOYSA-N 352.843 3.526 0 40 FHAB FC(F)(Cl)c1nnc2sc(-c3ccc(Br)s3)nn12 49547885 CLXVGUKZFHXZGH-UHFFFAOYSA-N 371.619 3.965 0 40 FHAB COc1cc(CO)cc(CSC)c1OC(=O)c1cccc(Cl)c1 226288934 JKSDBYHNQPKNQB-UHFFFAOYSA-N 352.839 3.923 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)NCCCc1ccc(C)cc1 222952361 QJFDHNFWYUTRFD-UHFFFAOYSA-N 353.871 3.568 0 40 FHAB CCCCc1ccc(C[C@H](C(=O)O)N2CCN(c3ccccc3)CC2)cc1 225150199 NJVZIFRJWSSYOY-JOCHJYFZSA-N 366.505 3.847 0 40 FHAB CCOC(=O)c1cccc(C(=O)c2ccccc2CN2CCSCC2)c1 85651641 KRMWSVFNNHIXIX-UHFFFAOYSA-N 369.486 3.643 0 40 FHAB C[C@@](N)(C(=O)Nc1cnc2c(c1)CCCC2)c1ccc(Br)cc1 571167167 MUVSYMBCERNPNE-SFHVURJKSA-N 374.282 3.536 0 40 FHAB COc1ccc(NC(=S)NCCSCc2ccccc2)cc1OC 225289382 BOIZUQSUDPOLCD-UHFFFAOYSA-N 362.520 3.924 0 40 FHAB CC(C)C[C@@H](NC(=O)Cc1ccc2c(c1)OCC2)c1nc2ccccc2[nH]1 575444487 HKCVDKFRNVEWQV-LJQANCHMSA-N 363.461 3.944 0 40 FHAB CCCCc1ccc(NC(=O)C2CCN(c3ccc(OC)nn3)CC2)cc1 95475853 WOQPDXFNKOKPTE-UHFFFAOYSA-N 368.481 3.683 0 40 FHAB O=C1C[C@@H](c2ccc(O)cc2)c2c(ccc3nn(-c4ccccc4)nc23)N1 96117367 RTNWTUHPMASLDG-INIZCTEOSA-N 356.385 3.600 0 40 FHAB Cn1ncc(C(=O)N[C@@H]2CCCOc3ccccc32)c1Cc1ccccc1 582394677 NZRHWOXZNZQPRW-LJQANCHMSA-N 361.445 3.655 0 40 FHAB C[C@H](O)c1onc(-c2cccs2)c1C(=O)NCc1cc(F)cc(F)c1 253402964 PDKHVELVRBOACM-VIFPVBQESA-N 364.373 3.665 0 40 FHAB biogenic,in-vitro C[C@H](O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@]4(C)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 253617545 UUNZVNLAFCAUHR-GIEGTZQPSA-N 350.543 3.892 0 40 FHAB CN(C)c1cccc(CC[C@@H]2CCCCN2C(=O)c2ccccc2F)n1 257247195 IXWQGGUFOBOEOA-KRWDZBQOSA-N 355.457 3.914 0 40 FHAB O=C(c1ccnnc1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257258342 KTKPRBICRGGQOR-SFHVURJKSA-N 366.396 3.562 0 40 FHAB Oc1cccc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1Cl 645156674 YSVIBCGQCAWFDS-BBRMVZONSA-N 359.775 3.670 0 40 FHAB Cc1cccc([C@@H](CN(C)C)NC(=O)/C=C/c2ccc3ccccc3n2)c1 1776004485 SFIJITRIUCIHAE-DGXIYAMASA-N 359.473 3.976 0 40 FHAB CC[C@H](CSC(F)(F)F)NC(=O)c1cncc(Br)c1 95918510 UHTWBHSNDCWUPA-SECBINFHSA-N 357.195 3.606 0 40 FHAB O=C(NCCN1CCc2sccc2C1)Nc1nc(C2CCC2)cs1 669560090 CVLRDGXJPSOXFW-UHFFFAOYSA-N 362.524 3.652 0 40 FHAB Cc1noc(C)c1-c1nc(N[C@@H](C)c2ccccn2)ncc1-c1cnccn1 12088810 WFYHGVYNMISLDT-LBPRGKRZSA-N 373.420 3.774 0 40 FHAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)CCC2 15922814 ZFEJBKFUBKBIOX-UHFFFAOYSA-N 351.402 3.548 0 40 FHAB Cc1ccccc1CN(Cc1cnc(N)nc1)C1CC(C)(C)NC(C)(C)C1 19237145 CYXIOTVEXWZIAE-UHFFFAOYSA-N 367.541 3.679 0 40 FHAB COc1cc2c(cc1OC)C13CCN(CC1)[C@@H](c1cccs1)N3CC2 19550710 SAQBNOYAUUGCPJ-LJQANCHMSA-N 356.491 3.627 0 40 FHAB CCN[C@@H]1CN(Cc2cncn2Cc2ccccc2)C2(CCCCC2)C1 19703846 URGJQFNJWCHLDZ-FQEVSTJZSA-N 352.526 3.818 0 40 FHAB CC(C)Cc1nc(CS(=O)(=O)Cc2ccc(Cl)cc2Cl)no1 46163661 PTFNNDQCNBNLMV-UHFFFAOYSA-N 363.266 3.690 0 40 FHAB O=C(CCC1CCCC1)Nc1c2c(nn1-c1ccccc1)C[S@](=O)C2 4105620 NWPSIWBKWFTVNY-VWLOTQADSA-N 357.479 3.544 0 40 FHAB O=C(c1ncccc1F)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1890008974 HDQSHUVPAJTKND-UHFFFAOYSA-N 370.815 3.837 0 40 FHAB COc1ccccc1[C@@H](NC(=O)c1ccc(Cl)cc1)c1nccn1C 18237680 ITERFMIEHIVZIZ-QGZVFWFLSA-N 355.825 3.602 0 40 FHAB CCOc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2cccnc2)cc1 4329812 JJRANWCPTYJKNQ-FQEVSTJZSA-N 362.433 3.919 0 40 FHAB COc1ccc(C(=O)Nc2nc3c(OC)ccc(OC)c3s2)cc1OC 4331031 DQNUXYSSCKCSHX-UHFFFAOYSA-N 374.418 3.583 0 40 FHAB O=C(Cc1csc(NC(=O)C2CC2)n1)Nc1ccc(Cl)c(Cl)c1 17149763 AGXWZJBRAIXLJC-UHFFFAOYSA-N 370.261 3.980 0 40 FHAB O=C(N1CCC1)C1(Nc2ccccc2)CCN(Cc2cccc(F)c2)CC1 2055754610 IWAVDCAHMHQJMG-UHFFFAOYSA-N 367.468 3.505 0 40 FHAB O=C(c1ccc(Br)o1)N1CCS[C@@H](c2ccco2)CC1 207008541 VPBXCNLADMZMDY-GFCCVEGCSA-N 356.241 3.956 0 40 FHAB O=C(COc1ccc2ccccc2c1)NCC[C@H](CCO)c1cccs1 575607471 LZCMLXGHRCVIFX-QGZVFWFLSA-N 369.486 3.953 0 40 FHAB O=C(CSc1ccc(F)cc1)NC[C@H](O)c1csc2ccccc12 585372805 YBOJVPQSDYBRKQ-INIZCTEOSA-N 361.463 3.982 0 40 FHAB COC(=O)Cc1cc2c(n1-c1ccc(C(C)=O)cc1)CC(C)(C)CC2=O 27986712 NYDSJNNIKWTRQW-UHFFFAOYSA-N 353.418 3.551 0 40 FHAB NCCN1C(=O)S/C(=C\c2ccc(F)c(Oc3ccccc3)c2)C1=O 3620455 UWFKEKMWTADQDQ-WJDWOHSUSA-N 358.394 3.613 0 40 FHAB O=C(CCc1ccccc1Cl)NCc1ccccc1Cn1ccnc1 40023567 WKNQQPIFBCSART-UHFFFAOYSA-N 353.853 3.834 0 40 FHAB CC[C@@H](C)[C@@H](N)C(=O)Oc1ccc2c(=O)c(-c3csc(C)n3)coc2c1 20111164 SQZMXPOAPPQOMP-BMLIUANNSA-N 372.446 3.504 0 40 FHAB biogenic O=C(CCn1ccc2c(Br)cccc21)Nc1nccs1 40282921 ROLCJHWVOAUEKP-UHFFFAOYSA-N 350.241 3.889 0 40 FHAB O=C(N[C@H]1CCc2ccccc21)C1CCN(c2nc3ccccc3o2)CC1 11173113 BXQYSHXWMKDIGZ-SFHVURJKSA-N 361.445 3.848 0 40 FHAB CC(C)Cn1c(=O)c(C(=O)Nc2ccc(Cl)cn2)c(O)c2ccccc21 100681732 FXLVBWRWIFGLEX-UHFFFAOYSA-N 371.824 3.664 0 40 FHAB C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1ccc(Cl)c3cccnc13)C2=O 31645182 QZIMPHNSKJHCOZ-CWTRNNRKSA-N 357.841 3.889 0 40 FHAB CCC(=O)Nc1sc(C(=O)Nc2ccc(F)cc2)c(C)c1C(=O)OC 871467 FTFUKEMAFMDCEI-UHFFFAOYSA-N 364.398 3.583 0 40 FHAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1nnc([C@H]2CCCO2)s1 959132 FOOIVQURKMZRDH-GXFFZTMASA-N 367.858 3.757 0 40 FHAB CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccccc1 20744356 KKXHFVGGUBIIAJ-WIYYLYMNSA-N 350.462 3.970 0 40 FHAB Cc1ccc(S(=O)(=O)NCCSc2nc3ccccc3s2)cc1 6584233 CVGOSSIOOHXCSH-UHFFFAOYSA-N 364.517 3.675 0 40 FHAB Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 7609663 BWZJCHIOXDRWIL-UHFFFAOYSA-N 372.490 3.730 0 40 FHAB O=C(Nc1ccc2c(c1)CCC2)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 8264201 NECNXPKFXUPUBK-OAHLLOKOSA-N 354.837 3.820 0 40 FHAB COc1ccc(CCN2C(=O)C[C@H](Nc3ccc4ccccc4c3)C2=O)cc1 102283127 UUCNCHYOSCPQKW-NRFANRHFSA-N 374.440 3.631 0 40 FHAB COc1ccccc1N1C(=O)/C(=C/N2CCCCC2)c2ccccc2C1=O 104806665 UZABUVPHHOFGIO-OBGWFSINSA-N 362.429 3.709 0 40 FHAB CC(C)(C)c1nc2cc(NC(=O)CCCNC(=O)c3ccco3)ccc2o1 32818749 WQDBDXFNRYHCSE-UHFFFAOYSA-N 369.421 3.867 0 40 FHAB CCS(=O)(=O)c1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1 22285975 LUKBVBKUHRQKBN-UHFFFAOYSA-N 357.475 3.540 0 40 FHAB CCn1ccc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C)cc2)n1 28240310 DSQWVWKXWPHOAJ-UHFFFAOYSA-N 363.343 3.668 0 40 FHAB COc1ccccc1N[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O 101277055 UBRHKPCTAXMXMZ-GFCCVEGCSA-N 365.216 3.746 0 40 FHAB Cc1ccc2oc(C(=O)N[C@H](Cc3ncc[nH]3)c3ccccc3)cc(=O)c2c1 12531156 ZDMHIGZDAPIBJZ-QGZVFWFLSA-N 373.412 3.538 0 40 FHAB Cc1nc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)co1 22538326 HHEYEJJTHVWACA-UHFFFAOYSA-N 361.445 3.530 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1nc2ccccc2[nH]1 12560322 QPPYZPWCPOQZOV-SNVBAGLBSA-N 364.232 3.953 0 40 FHAB CC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 107945491 VLTAGRWHCBHRFP-HNNXBMFYSA-N 374.506 3.941 0 40 FHAB Cc1ccccc1N[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 101076880 ISCXIKSYNGAIMF-HNNXBMFYSA-N 359.223 3.502 0 40 FHAB CCO/C=C/[C@@](O)(CNC(=O)c1ccc(C(C)(C)C)cc1)C(F)(F)F 3188622 CROAVWDYOGGVPY-SXSDINLZSA-N 359.388 3.558 0 40 FHAB O=C1COc2cc(NC(=O)N3CC[C@@H]3c3ccccc3)c(Cl)cc2N1 47851814 QBIBYKVXCJFIAO-OAHLLOKOSA-N 357.797 3.650 0 40 FHAB CCOc1ccc(-c2nc(CN3C(=O)c4ccccc4C3=O)c(C)o2)cc1 57478106 OCJRQKDCIJSBEW-UHFFFAOYSA-N 362.385 3.845 0 40 FHAB Cc1nc(N(C)[C@H](C)C[S@@](C)=O)c2c(-c3ccccc3)csc2n1 108391710 GQLOOFBFBLBOJH-YYUOZPCZSA-N 359.520 3.870 0 40 FHAB O=C(COC(=O)CCc1ccccc1)Nc1ccc(N2CCCCC2)cc1 3232850 WHXGTQMPTZSONQ-UHFFFAOYSA-N 366.461 3.791 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)/C=C/c2cccc(F)c2)c1 3250091 NOXJUIOZPYTRGU-ATWMFIQVSA-N 355.365 3.612 0 40 FHAB CCc1ccc(OCC(=O)Nc2nonc2-c2ccc(C)c(C)c2)cc1 27580548 OIBMDNJITJBHPH-UHFFFAOYSA-N 351.406 3.933 0 40 FHAB COc1ccc(NC(=O)c2cccn2Cc2cccs2)cc1NC(C)=O 58232155 QTYCIFLEPGEOHU-UHFFFAOYSA-N 369.446 3.817 0 40 FHAB CC[C@@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccc(Cl)cc1 10423350 JJKZUHDNTKVFLU-QGZVFWFLSA-N 365.882 3.766 0 40 FHAB CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC(C)(C)N(C)C2 2250716 AGJQHAJZBXGOCF-UHFFFAOYSA-N 372.490 3.944 0 40 FHAB CC(=O)c1c(C)cc(C)c(CN2C(=O)NC3(CCCCCC3)C2=O)c1C 28186354 WAJJWGKKRMVFPT-UHFFFAOYSA-N 356.466 3.959 0 40 FHAB O=C(NCc1cn2ccccc2n1)c1ccccc1COc1ccccc1 8279141 PLIDGVHYYRRANU-UHFFFAOYSA-N 357.413 3.843 0 40 FHAB CC[C@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(C)cc1 12755509 JTHOZFWMJMEQIQ-IBGZPJMESA-N 364.445 3.525 0 40 FHAB CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCc2ccccc2C1 12784692 JOZPUEIXGOPOHF-HXUWFJFHSA-N 366.461 3.522 0 40 FHAB CCc1nnsc1C(=O)NCc1ccccc1CN1C[C@@H](C)C[C@H](C)C1 48354729 FNXYIYYADVTGJA-GJZGRUSLSA-N 372.538 3.508 0 40 FHAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)N[C@@H](C)c1ccccc1 3497464 WDWVMMTUBDFBPU-AWEZNQCLSA-N 364.401 3.684 0 40 FHAB CN(C)[C@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1 3419922 IDHDXRSZKFTLQW-QGZVFWFLSA-N 350.384 3.667 0 40 FHAB Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(Cl)cc2)c(C)c1 3493335 JQMVRNSXVGBXBC-UHFFFAOYSA-N 373.869 3.663 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 3580030 GPORSJXCZDQDDB-RHSMWYFYSA-N 366.461 3.575 0 40 FHAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccccc1Br 3571289 DOTFVKJWLDXWFV-UHFFFAOYSA-N 358.191 3.970 0 40 FHAB COc1cc(CC(=O)Nc2ccc(F)c(Cl)c2)cc(OC)c1OC 3565843 TVOGMPOCXUGAOK-UHFFFAOYSA-N 353.777 3.686 0 40 FHAB COc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)cc1Cl 13014445 IOWZKXOCFDFATD-KRWDZBQOSA-N 372.852 3.982 0 40 FHAB COC(=O)c1cc(-c2cc(OC)ccc2OC)nc2onc(C(C)C)c12 8391743 KHWXOOQGWRHHRZ-UHFFFAOYSA-N 356.378 3.817 0 40 FHAB COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3nc(N)nc3N2)cc1 13131872 ASCOXOGVTZWDAW-HOTGVXAUSA-N 355.829 3.669 0 40 FHAB Fc1ccccc1-c1n[nH]c(SCc2nnc(-c3ccccc3)o2)n1 8342232 GZFBPHBBICVVTD-UHFFFAOYSA-N 353.382 3.953 0 40 FHAB O=C(Nc1cccnc1-n1cncn1)c1sc2ccccc2c1Cl 63446515 SDBHNBGIAZYBGN-UHFFFAOYSA-N 355.810 3.783 0 40 FHAB COc1cc(SC)ccc1C(=O)NCc1ccc(CN2CCCC2)cc1 8406496 MEKCIVASLGMCCF-UHFFFAOYSA-N 370.518 3.943 0 40 FHAB COc1ccc2[nH]cc(CCNC(=O)COc3c(C)cccc3C)c2c1 13692924 QLIBVARTUYXXFU-UHFFFAOYSA-N 352.434 3.531 0 40 FHAB COc1cccc(C2=NO[C@H](C(=O)Nc3ccccc3C(F)(F)F)C2)c1 5029374 XHNGVYIHXNGZRW-INIZCTEOSA-N 364.323 3.846 0 40 FHAB CCCCCC1=NN(C(=O)c2ccc(N(C)C)cc2)[C@](O)(C(F)(F)F)C1 408948705 DECAZGGLTCQUPI-QGZVFWFLSA-N 371.403 3.786 0 40 FHAB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 5379147 QXTWZEGENLVVRE-CDXCJDFSSA-N 368.473 3.961 0 40 FHAB O=C(CSc1nnc(-c2ccccc2Br)[nH]1)c1ccc[nH]1 14122951 HGOVUTFNZQCPRQ-UHFFFAOYSA-N 363.240 3.537 0 40 FHAB Cc1nc2cc(NC(=O)CSCC(=O)Nc3ccc(F)cc3)ccc2o1 14108654 ITSAPYHWUZLNST-UHFFFAOYSA-N 373.409 3.586 0 40 FHAB Cn1c(C(=O)N2CCN(c3ccccc3)CC2)cc2cc(Cl)ccc21 4675833 ZQHLIBIGYSQSHR-UHFFFAOYSA-N 353.853 3.794 0 40 FHAB Cc1ccccc1NC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 17986593 ZGXGDJRXRSAOTE-ROUUACIJSA-N 362.429 3.927 0 40 FHAB CCOc1ccc(C(=O)N[C@H](C(=O)Nc2ccccc2C)C(C)C)cc1 6778517 PDHZEBYANRRGPZ-IBGZPJMESA-N 354.450 3.787 0 40 FHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cc(-c2ccccc2)[nH]n1 7118787 MORPDXWDHIGQMH-UHFFFAOYSA-N 357.417 3.535 0 40 FHAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCN([C@H](C)c2cccc(F)c2)CC1 89905216 ALLZXAGNALPOLH-CABCVRRESA-N 360.477 3.946 0 40 FHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1OC(C)C 219736407 AFXSYCCNHUSAFM-UHFFFAOYSA-N 373.405 3.530 0 40 FHAB C[C@@H](NC(=O)CSc1nnc(C2CC2)n1C)c1ccc2c(c1)CCCC2 7826152 BRSVSKCJBSGDRL-CYBMUJFWSA-N 370.522 3.541 0 40 FHAB Cc1ccc(Nc2nn(CN3CCC[C@@H](O)C3)c(=S)s2)cc1Cl 8993961 RAWNVEIIEWPXGI-GFCCVEGCSA-N 370.931 3.794 0 40 FHAB CCS(=O)(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc(C)cc2C)cc1 20482497 NPXQJZBOCUGGKJ-OAHLLOKOSA-N 360.479 3.556 0 40 FHAB CCOc1ccc(-c2nc(CN3C(=O)NC4(CCCC4)C3=O)cs2)cc1 9218962 ZVPXIHNXIQAESQ-UHFFFAOYSA-N 371.462 3.573 0 40 FHAB CCc1ccc(-c2csc(NC(=O)CCN3CCSC3=O)n2)s1 9315117 NYHWAFVWTGHYJO-UHFFFAOYSA-N 367.521 3.931 0 40 FHAB CC(C)CCC[C@H](C)NC(=O)CCSc1nc(Cl)nc2nc[nH]c12 9421191 JYUCREHPASFCNA-NSHDSACASA-N 369.922 3.820 0 40 FHAB CN1CCC(Oc2ccc(CNC(=S)Nc3ccccc3)cc2)CC1 78578708 HKZRTYYAPQEWTP-UHFFFAOYSA-N 355.507 3.646 0 40 FHAB CC(C)[C@H](Sc1nnc(N(C)C)s1)C(=O)N(C)C1CCCCC1 78797263 WJOPQGNDSZFSHO-ZDUSSCGKSA-N 356.561 3.512 0 40 FHAB Cc1ccc(S(=O)(=O)Cc2csc(-c3cccc(C(=O)O)c3)n2)cc1 97002442 DTQRMXUXANEZFT-UHFFFAOYSA-N 373.455 3.791 0 40 FHAB CSc1cccc(NC(=O)COC(=O)c2cc(F)ccc2Cl)c1 72330131 DMLKRJUTZGUECV-UHFFFAOYSA-N 353.802 3.997 0 40 FHAB CN(C)C1(CNC(=O)C[C@@H]2CCN(Cc3ccccc3)C2)CCCCCC1 72307008 BNWBEIGFBXUYLC-NRFANRHFSA-N 371.569 3.669 0 40 FHAB C[C@@H](NC(=O)Cn1ccc(=O)c2ccccc21)C12CC3CC(CC(C3)C1)C2 84633299 YEFQGJNXQTVXQZ-LRYXAPPNSA-N 364.489 3.723 0 40 FHAB O=S(=O)(c1cccc(Cl)c1)N(CCCCCO)Cc1ccccc1 75094588 BSLVQYADEUIRCG-UHFFFAOYSA-N 367.898 3.694 0 40 FHAB C[C@H]1CC(=O)c2cn3nc(SCc4ccccc4Cl)nc3nc2C1 20632289 JOUWGSBHYZAOLF-SNVBAGLBSA-N 358.854 3.835 0 40 FHAB COc1ccc(Cc2nc3c4ccccc4ncn3n2)cc1Br 71282667 XTDBWSSNNAALHD-UHFFFAOYSA-N 369.222 3.639 0 40 FHAB Cc1ccc(Cl)cc1N(CC(=O)O)S(=O)(=O)c1ccc(Cl)cc1 20061337 BEMYMOMVRVZUBY-UHFFFAOYSA-N 374.245 3.582 0 40 FHAB COc1ccc(CC(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1 20137312 SGCIDIDYGRDXCW-UHFFFAOYSA-N 351.402 3.937 0 40 FHAB COc1cc(NC(=O)N[C@H](CO)c2ccc(C(F)(F)F)cc2)ccc1F 547755450 NNPYQBWSFUJDJK-CQSZACIVSA-N 372.318 3.708 0 40 FHAB C[C@@H](CC(=O)Nc1ccc(Cl)cc1)NCC1(N(C)C)CCCCC1 38709180 PGJAVWOIMLKVJE-HNNXBMFYSA-N 351.922 3.911 0 40 FHAB CC(=O)c1cc(NC(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)ccc1C 516192277 XTGLTZRUOQYQSZ-ZDUSSCGKSA-N 365.433 3.965 0 40 FHAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)NC[C@H](C)c2ccccc2)CC1=O 408709297 ZCXIMBLSOOOKHH-YOEHRIQHSA-N 370.880 3.921 0 40 FHAB Cc1ccc(NC(=O)c2c(C)oc3ncn(Cc4ccccc4)c(=O)c23)cc1 35672104 UFILPXBMOMSTFO-UHFFFAOYSA-N 373.412 3.907 0 40 FHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1ccccc1 219490399 RCJCGRVCKJNKCN-RDTXWAMCSA-N 355.434 3.881 0 40 FHAB Cc1cnn([C@H]2CCN(C(=O)Nc3cccc(-c4ncco4)c3C)C2)c1 566839729 QFDQINYHMRBVJK-HNNXBMFYSA-N 351.410 3.634 0 40 FHAB CC(C)n1nc(CC(=O)Nc2ccc3cc[nH]c3c2)c2ccccc2c1=O 79481846 LCAOCBFVWUTAMZ-UHFFFAOYSA-N 360.417 3.640 0 40 FHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc2c(c1)OCCO2 225402946 STCSMHONQVYVGL-INIZCTEOSA-N 353.418 3.798 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)OCC1(CC1)CO2 225367961 HMGAMYQNULYCIO-MRXNPFEDSA-N 351.446 3.989 0 40 FHAB C[C@]1(C(=O)NCCCc2cccc(F)c2)CC(c2ccccc2F)=NO1 223278311 MWNDSRIXAPIPKD-HXUWFJFHSA-N 358.388 3.597 0 40 FHAB COc1ccc(NC(=O)c2ccccc2-n2cnc3ccccc3c2=O)cc1 40310098 KVJVFZVHNRCYGV-UHFFFAOYSA-N 371.396 3.647 0 40 FHAB biogenic CCCC(=O)Nc1nc(-c2ccc(OCC)cc2C)c(CC(=O)O)s1 85397422 PNWYEVMESUSZST-UHFFFAOYSA-N 362.451 3.883 0 40 FHAB COC(=O)c1cc(S(=O)(=O)NC2CCCCCCC2)ccc1Cl 225032222 KBTJSLOLFKHOAL-UHFFFAOYSA-N 359.875 3.518 0 40 FHAB Clc1ccc(Nc2ncnc3c2cnn3C2CCNCC2)c(Cl)c1 228920960 VWGIIZCSLPGWRM-UHFFFAOYSA-N 363.252 3.801 0 40 FHAB CCCC(=O)N(Cc1cccc(OC)c1)[C@H](C)C(=O)NC1CCCCC1 224953885 NSIBEHMWOCSIEB-MRXNPFEDSA-N 360.498 3.661 0 40 FHAB O=c1cc(CN2CCN(Cc3ccccc3)CC2)c2cc(Cl)ccc2o1 19371318 ZUFJYRMOVXEQIB-UHFFFAOYSA-N 368.864 3.764 0 40 FHAB biogenic Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc2c(c1)OCCO2 225402990 STCSMHONQVYVGL-MRXNPFEDSA-N 353.418 3.798 0 40 FHAB COc1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OC 222562834 IUVZXXMQAHBBTI-IGNZVWTISA-N 355.463 3.688 0 40 FHAB CN(C)C(=O)c1ccc(NC(=S)N[C@@H]2CCCc3ccccc32)cc1 225462444 YTUOXBWYMAVRQY-GOSISDBHSA-N 353.491 3.752 0 40 FHAB Cc1cc(S(=O)(=O)NCCSCc2ccccc2Cl)ccc1F 225601933 MMVKBHDNGXWZCS-UHFFFAOYSA-N 373.902 3.999 0 40 FHAB CC[C@@](C)(OC)C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1 225602910 HARNXYQCPWWREI-DYESRHJHSA-N 362.514 3.941 0 40 FHAB CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CCN(c2ncccn2)C1 257211376 BYQHRJNSQFTQQF-AWEZNQCLSA-N 366.490 3.823 0 40 FHAB CC1(C)N[C@H](c2cnc(-c3ccccn3)s2)N(c2ccccc2)C1=O 639421498 QJUBODUAGYMFGW-INIZCTEOSA-N 350.447 3.619 0 40 FHAB CCc1nc(NC(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)sc1C 654009879 NKZWDDAJFRWSQY-GXSJLCMTSA-N 351.394 3.635 0 40 FHAB O=C1c2ccccc2C(=O)N1CCNc1ccc(OCc2ccccc2)cc1 1772715351 IUFJNGZKROVYLC-UHFFFAOYSA-N 372.424 3.974 0 40 FHAB CC[C@@H](C)C(=O)N(Cc1ccccn1)C1CCN(C(=O)C(C)(C)CC)CC1 1775996621 AREVHNKNERAUOV-QGZVFWFLSA-N 373.541 3.884 0 40 FHAB COC[C@H]1CN(Cc2ccco2)CC12CCN(Cc1ccsc1)CC2 585103939 UIPNZSRBUHNLMM-GOSISDBHSA-N 360.523 3.702 0 40 FHAB C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)Cc1ccon1 585113719 SRTWPNHKXZURFY-QGZVFWFLSA-N 368.355 3.740 0 40 FHAB C[C@@H](NCc1nnnn1-c1ccc(C(F)(F)F)cc1)c1cccc(F)c1 54153010 VEPCKMKCCLHIAN-LLVKDONJSA-N 365.334 3.671 0 40 FHAB COC(=O)[C@H]1[C@@H]2C=C[C@@H](C2=C(c2ccccc2)c2ccccc2)[C@@H]1C(=O)OC 5051892 AZIKIWQXQHLYQD-UDKICSLYSA-N 374.436 3.883 0 40 FHAB O=C(OCN1C(=O)c2ccccc2C1=O)c1cccc(Oc2ccccc2)c1 5938851 YMIKBPKEYVVCMA-UHFFFAOYSA-N 373.364 3.889 0 40 FHAB CCc1onc(C)c1C(=O)N1[C@H](COc2cccc(OC)c2)[C@H]2CC[C@@H]1C2 12085276 GHJWLPNLQNSAQE-HDMKZQKVSA-N 370.449 3.626 0 40 FHAB Cc1cc(C)n2nc(C(=O)NC3(c4ccc(F)cc4)CCCC3)cc2n1 12143121 BVCKOUXHXSHUPN-UHFFFAOYSA-N 352.413 3.685 0 40 FHAB Cc1ccc(NCC(=O)Nc2ccccc2C(=O)NC2CC2)c(Cl)c1 12977714 CEEVHGFMLKZWPZ-UHFFFAOYSA-N 357.841 3.591 0 40 FHAB CC[C@H](C(=O)Nc1cccc(C)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716083 IOXKUYGVNLLFCE-LJQANCHMSA-N 374.506 3.795 0 40 FHAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(F)cc1 14398512 RYUIDINRRINPKL-AWEZNQCLSA-N 358.413 3.714 0 40 FHAB CCn1c(NC(=O)CCc2cc(OC)cc(OC)c2)nc2ccccc21 15606268 DEEJPGSRFSOAHV-UHFFFAOYSA-N 353.422 3.645 0 40 FHAB Cc1cc(-c2ccccc2)nc(SC[C@H](O)COc2ccccc2)n1 16283906 RPWKKIAYBCRUPC-QGZVFWFLSA-N 352.459 3.984 0 40 FHAB Cc1ccc(-c2cc([C@@H]3CCN(Cc4cccnc4)C3)nc(N(C)C)n2)cc1 19212204 SQUBRZPOFWGPCQ-HXUWFJFHSA-N 373.504 3.903 0 40 FHAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)Cc2csc(C)n2)n1 19240180 FRAIGKLKXHLJFT-CQSZACIVSA-N 363.533 3.921 0 40 FHAB COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)C(F)(F)F 226358341 BKKPEUSPUHHSFO-UHFFFAOYSA-N 363.291 3.969 0 40 FHAB Cn1c(-c2ccccc2)c(C(=O)CSc2n[nH]c(N)n2)c2ccccc21 6507886 JETDZCALVFZINX-UHFFFAOYSA-N 363.446 3.521 0 40 FHAB O=C(CCn1c(-c2ccc(F)cc2)n[nH]c1=S)Nc1ccc(F)cc1 11593837 NUMYREOOGBKIEN-UHFFFAOYSA-N 360.389 3.915 0 40 FHAB COc1ccc2nc(S[C@@H](C(=O)NC3CC3)c3ccc(F)cc3)[nH]c2c1 12239789 WYPCFMOMGMLPPX-QGZVFWFLSA-N 371.437 3.823 0 40 FHAB CC(=O)N1CCN(C2CCCC2)C[C@H](Cc2cnc3ccccc3c2)C1 2037834659 AGKSGVLETDQILX-LJQANCHMSA-N 351.494 3.500 0 40 FHAB COc1ccc(Cn2c(=O)n(C(C)C)c(=O)c3oc4ccccc4c32)cc1 4316432 DDBXFOSSTRIFEE-UHFFFAOYSA-N 364.401 3.547 0 40 FHAB COc1cccc(-c2nnc(NC(=O)CSc3ccc(F)cc3)o2)c1 4496782 DLQZXEVRLROBTH-UHFFFAOYSA-N 359.382 3.615 0 40 FHAB O=C(COc1ccc(Cl)cc1)Nc1cccc(N2CCCCC2=O)c1 5441603 CJUGRLOHOCYCLI-UHFFFAOYSA-N 358.825 3.874 0 40 FHAB Cc1ccc(CN2CC[C@@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@@H]32)o1 2086884447 VDTZZKPXGPVUGV-CJNGLKHVSA-N 351.372 3.713 0 40 FHAB CC(=O)SCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 9320359 MLMJMDZYRDKFSW-UHFFFAOYSA-N 371.281 3.791 0 40 FHAB C[C@H](Sc1ncnc2[nH]cnc12)C(=O)Nc1cccc(Cl)c1Cl 13578866 RYQVYSFYSOTULY-ZETCQYMHSA-N 368.249 3.779 0 40 FHAB CC(C)[C@H](NC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1cccs1 40024007 LEEUYKMAUDKOGP-ZBEGNZNMSA-N 359.451 3.986 0 40 FHAB COc1ccc(NC(=O)[C@H](Cc2cc(C)cc(C)c2)[C@@H](C)C(=O)O)cc1 727570 LCTABTLCJSWZRG-DNVCBOLYSA-N 355.434 3.830 0 40 FHAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(Cc2ccccc2)n1C 877664 WNBRJBOLIYIKJP-OAHLLOKOSA-N 366.490 3.834 0 40 FHAB O=C(c1ccccc1)N1CCN(CCOc2ccc3ccccc3c2)CC1 29171051 DTINQSBRUFWNJQ-UHFFFAOYSA-N 360.457 3.677 0 40 FHAB CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2nncs2)cc1 959342 ZHANIPOIZYFOMK-UHFFFAOYSA-N 353.447 3.882 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cccc(OCc3cscn3)c2)cc1 16201663 SJLYTAODTVHWOI-UHFFFAOYSA-N 367.430 3.933 0 40 FHAB CC1(C)[C@]2(C(=O)Nc3nc(-c4ccccc4)cs3)CC[C@@]1(C)C(=O)O2 1170375 HZIUJVMXEIFRTD-RBUKOAKNSA-N 356.447 3.871 0 40 FHAB Cc1cc2ccccc2n2c(SCC(=O)NCc3cccs3)nnc12 1223222 TUKBVRGPUJGDFG-UHFFFAOYSA-N 368.487 3.661 0 40 FHAB COc1ccccc1NC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1Cl 1379614 AZVVTFXIUMISMV-INIZCTEOSA-N 373.840 3.984 0 40 FHAB COc1ccc(Oc2c(OC(C)=O)c3ccc(OC)cc3oc2=O)cc1 2126465 UWKKHQNGFAPJLE-UHFFFAOYSA-N 356.330 3.528 0 40 FHAB biogenic O=C(Nc1nccs1)c1ccc2c(c1)C(=O)N(C1CCCCCC1)C2=O 31816786 NCBSCHMNGIUQPH-UHFFFAOYSA-N 369.446 3.714 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN1C(=O)OCC(C)C 6159654 RVVRHMPQKDVUBF-AWEZNQCLSA-N 354.834 3.544 0 40 FHAB CCC(=O)N1CCN(c2ccc(NC(=O)c3cc(C)cc(C)c3)cc2)CC1 6348839 YYTLKYSETXDBMM-UHFFFAOYSA-N 365.477 3.614 0 40 FHAB C[C@H](OC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)c1ccccc1 2664240 PXUMJJLVJSKRGI-AWEZNQCLSA-N 363.369 3.960 0 40 FHAB CN(C)c1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1 32772751 QUXCUVAIWOFADN-SFHVURJKSA-N 368.868 3.659 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Oc2ccccc2OC)c1 8040967 CHZVETJBYITBMY-NSHDSACASA-N 363.797 3.541 0 40 FHAB O=C(c1cccc(N2CCCC2=O)c1)N1CCC(Cc2ccccc2)CC1 8072062 OLNXYYCAWMOZRS-UHFFFAOYSA-N 362.473 3.908 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 2644497 ZKEPORVIFDOTNR-HNAYVOBHSA-N 361.445 3.694 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CCSc3ccccc32)c1C 21899211 VLSWDHOAAZLNGC-CQSZACIVSA-N 358.463 3.775 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3cc(OC)ccc3OC)no2)cc1 11915047 OMBXZAHWLCJMDE-UHFFFAOYSA-N 354.362 3.620 0 40 FHAB Cc1cccc(N2CCN(CCCNC(=O)CC3CCCCC3)CC2)c1 46447869 NCOQOKRKGNTFOT-UHFFFAOYSA-N 357.542 3.594 0 40 FHAB C[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc(Cl)c(Cl)c1 22652440 XCLCMOYYNZYVJG-VIFPVBQESA-N 365.216 3.815 0 40 FHAB Cc1cccc(N2CCN(CC(=O)Nc3ccc(F)cc3Cl)CC2)c1 53812640 UNPFHMIMDYIYJK-UHFFFAOYSA-N 361.848 3.548 0 40 FHAB CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc2nccnc2c1 12391976 ROOHIRKVIBMQMZ-IBGZPJMESA-N 350.809 3.981 0 40 FHAB CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2ccc(F)cc2)NC(=S)N1 1299608 HUOPVEKRDGLHLI-GOSISDBHSA-N 369.465 3.874 0 40 FHAB O=C(NCc1cccc(Cn2cncn2)c1)Nc1cccc2ccccc12 47698149 XTCHZEMIGSRYDC-UHFFFAOYSA-N 357.417 3.801 0 40 FHAB COc1cc(CN[C@@H](C)Cc2ccco2)cc(Br)c1OC 35254474 DYWMVZDBONSALV-NSHDSACASA-N 354.244 3.780 0 40 FHAB Cc1cc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)c(C)n1C1CC1 16694582 KLJNRGUMRAHSKV-ZDUSSCGKSA-N 352.434 3.574 0 40 FHAB O=C(NC(NCc1ccco1)(C(F)(F)F)C(F)(F)F)c1ccccc1 22632862 VLEVGTAHKYMPDU-UHFFFAOYSA-N 366.261 3.620 0 40 FHAB COc1cc(C(=O)OCc2cccc(OC(F)F)c2)cc(OC)c1OC 3210241 NDDVTAVPCBSMJZ-UHFFFAOYSA-N 368.332 3.671 0 40 FHAB C[C@H]1CCCN(C(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 3228158 FZPBSTNPCHAXMO-HNNXBMFYSA-N 363.885 3.954 0 40 FHAB CCCC(=O)Nc1ccc(CNC(=O)Cc2cccc3cccnc23)cc1 58264013 DSFGKRLIUADYGJ-UHFFFAOYSA-N 361.445 3.832 0 40 FHAB Cc1nc(NC(=O)Cc2noc3ccccc23)sc1-c1ccccn1 24031998 OPAVOMIXUMAJDS-UHFFFAOYSA-N 350.403 3.836 0 40 FHAB O=C(NCC1(c2ccccc2)CCC1)c1ccc(NC(=O)C2CC2)s1 10373204 ZDRNCXZHQLNSOA-UHFFFAOYSA-N 354.475 3.948 0 40 FHAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)Nc1cc(F)cc(F)c1 10665558 BUYDEKZJRAJJGD-UHFFFAOYSA-N 352.391 3.586 0 40 FHAB Cc1cc(N[C@@H](C)C(=O)Nc2ccc(F)cc2F)ccc1N1CCCC1=O 10750302 LTIRHNKUFNMQMJ-ZDUSSCGKSA-N 373.403 3.839 0 40 FHAB O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1ccc(Br)cc1 10899287 YKJCNHXOWQEBHT-UHFFFAOYSA-N 373.250 3.728 0 40 FHAB CCOc1ccc([C@@H](C)NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 10978643 IFDFAUAPLOMCOB-MRXNPFEDSA-N 366.461 3.632 0 40 FHAB Cc1cccc(C(=O)NCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)c1 12750267 HCLKYNSGAMDOOH-CQSZACIVSA-N 367.474 3.554 0 40 FHAB COc1cc(CNC(=O)c2ccc(C)o2)ccc1OCc1ccncc1 48325909 QORYSWDNYLAYOF-UHFFFAOYSA-N 352.390 3.501 0 40 FHAB CCc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 12875827 OMXZVYFQFKKMCC-LBPRGKRZSA-N 367.417 3.736 0 40 FHAB O=C(CCc1ccsc1)Nc1ccccc1C(=O)NCc1ccco1 12972925 WCXAHBGKHALKQO-UHFFFAOYSA-N 354.431 3.842 0 40 FHAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cc2ccccc2oc1=O 12947547 ADYSTVNJGHZKLO-OAHLLOKOSA-N 355.390 3.899 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(C)cc(=O)oc3c2)cc1F 13011878 OMWAMKDOQUYMRV-CYBMUJFWSA-N 355.365 3.955 0 40 FHAB CCc1ccc([C@@H](C)NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1 8241966 BAYOLEKDPUYGBF-CYBMUJFWSA-N 369.490 3.515 0 40 FHAB C[C@H](NC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1)c1ccccc1 64334234 BKMILDASGXNBOC-NWDGAFQWSA-N 358.492 3.734 0 40 FHAB CC(C)Oc1ccc(Cl)c(-c2nc(=O)c3c4c(sc3[nH]2)CCC4)n1 65278981 DZWFQEMYVRKHKK-UHFFFAOYSA-N 361.854 3.976 0 40 FHAB CC(C)n1nccc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2F)n[nH]1 39964478 SIDNFHQKZBCTPK-NSHDSACASA-N 374.445 3.508 0 40 FHAB Cc1ccc(NC(=O)c2cccc(OC(=S)N3CCOCC3)c2)cc1C 408721885 MJPHWCLMFARUFL-UHFFFAOYSA-N 370.474 3.552 0 40 FHAB CCN(C)c1ccc(C(=O)NC(C)(C)c2ccc3c(c2)OCCO3)cc1 65492067 BHAFCICUKMUVFY-UHFFFAOYSA-N 354.450 3.579 0 40 FHAB COc1cc(C(=O)NCCc2cccc(Cl)c2)ccc1OC(F)F 17797322 DUQPRQGOJSAEAO-UHFFFAOYSA-N 355.768 3.923 0 40 FHAB Cc1nc2cc(NC(=O)Nc3cccc(N4CCOC4=O)c3)ccc2o1 65568048 GIIXHPBKYVHHJG-UHFFFAOYSA-N 352.350 3.737 0 40 FHAB CC(=O)Nc1cccc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1 14187987 RFJCJLGVXSMUST-HXUWFJFHSA-N 368.433 3.543 0 40 FHAB Cc1ccc(C(=O)CSc2nnnn2-c2ccc(C)cc2C)c(C)c1 5414738 IXZJEIHWKWVXIA-UHFFFAOYSA-N 352.463 3.871 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1C 14256486 ARVQBTYJKHGJHQ-UHFFFAOYSA-N 351.296 3.800 0 40 FHAB Cc1ccc(SCCC(=O)NCc2ccccc2-n2ccnc2)cc1 20495067 ZVRKALZDMIRLKJ-UHFFFAOYSA-N 351.475 3.979 0 40 FHAB COc1ccc(NCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 4750053 JDRNSLJHLCXRQA-UHFFFAOYSA-N 371.437 3.932 0 40 FHAB CCOc1ccc([C@@H]2SC[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)N23)cc1 4727876 YWYQKYOOSBEWAY-HKUYNNGSSA-N 368.458 3.977 0 40 FHAB Cc1cc(C)cc(OCCNC(=O)C2CCN(Cc3ccccc3)CC2)c1 65992639 UWIMLMRYWMFVST-UHFFFAOYSA-N 366.505 3.711 0 40 FHAB CCN(c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cc1)C(C)C 8747641 PTIPMMFRTNIQKJ-UHFFFAOYSA-N 353.422 3.505 0 40 FHAB O=C(NCc1ccccc1C(F)(F)F)c1ccc(Cn2cccn2)cc1 28575727 ANMKNRSGWYIILH-UHFFFAOYSA-N 359.351 3.880 0 40 FHAB CC[C@@H](C)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 7129691 GRKTZHCWGWPCKS-WDEREUQCSA-N 365.524 3.930 0 40 FHAB CCOc1ccc(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)cc1 7246703 JAWDYIFKAMEJSS-UHFFFAOYSA-N 357.834 3.699 0 40 FHAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 15605091 UYQIHAAYFGJIQP-UHFFFAOYSA-N 356.432 3.602 0 40 FHAB O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)NCc1ccccc1F 7360092 RPSBNNDIICDVJO-QGZVFWFLSA-N 369.465 3.889 0 40 FHAB Cc1ccc(C(=O)NCC(=O)Nc2c(C)cccc2C)cc1-n1cccc1 8707257 UCEPSAKUGDSYQP-UHFFFAOYSA-N 361.445 3.771 0 40 FHAB CC(=O)c1ccccc1NC(=O)CSc1nncn1-c1ccccc1C 8725984 DLCJAELQPXKFAZ-UHFFFAOYSA-N 366.446 3.509 0 40 FHAB CC[C@H](C)c1ccccc1OC(=O)CCc1nc(-c2ncccn2)no1 67958685 KXYSWAWJANYGDE-ZDUSSCGKSA-N 352.394 3.578 0 40 FHAB C[C@@H](c1ccc2ccccc2c1)N(C(=O)C1CCN(C(N)=O)CC1)C1CC1 68211839 QRZBMVUATQPUFQ-HNNXBMFYSA-N 365.477 3.683 0 40 FHAB CCOC(=O)c1c(NC(=O)CN2CCCCC2)sc2c1[C@H](C)CCC2 19796988 XTUUSADQGCCLSX-CYBMUJFWSA-N 364.511 3.789 0 40 FHAB COc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccco2)cc1 9462918 GAKZDAVJRSMAKD-UHFFFAOYSA-N 374.396 3.977 0 40 FHAB CC(=O)Nc1ccc(NC(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)cc1 72310028 WKICTJBVVFMLFF-HXUWFJFHSA-N 369.440 3.777 0 40 FHAB Cn1nc(-c2cccc(Cl)c2)cc1C(=O)Nc1nnc(C2CC2)s1 72406519 KTKCPSSWDUWKBO-UHFFFAOYSA-N 359.842 3.722 0 40 FHAB C[S@@](=O)Cc1cccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)c1 95347437 KKFHAZJMIPLJGG-GYCJOSAFSA-N 363.479 3.671 0 40 FHAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CCc2sccc2[C@@H]1C 84718198 DMNSNOFFJLJWFC-LIRRHRJNSA-N 368.502 3.730 0 40 FHAB Cc1c(C(=O)NC2(C)CCC(C)CC2)nnn1-c1cccc2cnccc12 95953739 ZTNSKFQZGXINKQ-UHFFFAOYSA-N 363.465 3.823 0 40 FHAB C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1csc(-c3ccsc3)n1)C2=O 9951666 MHQRVSRWPZKKKX-PIGZYNQJSA-N 361.492 3.872 0 40 FHAB COc1cc(OC)c(NC(=O)Cc2ccc(Br)cc2)cc1F 79070007 IQRVZSFTLCKHLL-UHFFFAOYSA-N 368.202 3.787 0 40 FHAB CCOc1ccc(C(=O)NCCCN2CCc3ccccc32)cc1OCC 29520609 HLDMTWRYEXKMNO-UHFFFAOYSA-N 368.477 3.667 0 40 FHAB CC(C)CCNC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1 32579055 JUKKQSLDSPYCPS-UHFFFAOYSA-N 365.433 3.945 0 40 FHAB C[C@@H](C(=O)N[C@H]1CCc2cc(Cl)ccc21)N1CCc2ccccc2C1 521915603 BZSJNSFZJYSRDG-XOBRGWDASA-N 354.881 3.890 0 40 FHAB COc1ccc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1OC 39857477 FKDLECBZGLNFAI-BOPFTXTBSA-N 371.414 3.953 0 40 FHAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)C1 38849360 IYYDQSOWIFIAMO-OAHLLOKOSA-N 352.434 3.900 0 40 FHAB O=C(CSCc1ccccc1Cl)NCCOc1ccc(F)cc1 30131204 GZCTWINKFZMKRS-UHFFFAOYSA-N 353.846 3.908 0 40 FHAB NC(=O)c1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1 216920471 MCUULOWKVOWEJR-UHFFFAOYSA-N 350.603 3.745 0 40 FHAB CCOc1ccc(CC(=O)OCC(=O)Nc2ccc(C)cc2)cc1OCC 72330888 POKAJQNDVOEUAZ-UHFFFAOYSA-N 371.433 3.517 0 40 FHAB CCn1ccnc1CN1CCC[C@@H]1c1cncc(Oc2ccc(F)cc2)n1 72384466 BIJCXASHCJAXAF-GOSISDBHSA-N 367.428 3.962 0 40 FHAB Cc1c(Cl)cccc1NC(=O)C(=O)NCC(c1ccco1)c1ccco1 675007762 OJGORNUMIQGWIH-UHFFFAOYSA-N 372.808 3.721 0 40 FHAB CN(C)C(=O)CN1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 72349535 UUQPRSWDVWXJRG-QGZVFWFLSA-N 371.912 3.593 0 40 FHAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OC)c(C(=O)OCC)c1 225801904 CXUHAPHKTMEKJN-LJQANCHMSA-N 351.443 3.796 0 40 FHAB O=C(NC[C@H]1CCCO1)c1ccc(OCCSc2ccccc2)cc1 44886145 BCZUXXGVIGDHKS-GOSISDBHSA-N 357.475 3.767 0 40 FHAB CC(C)Cc1cc(-c2nn3c(-c4cc(F)ccc4F)nnc3s2)[nH]n1 44900441 PHTQMXFSLPJCBV-UHFFFAOYSA-N 360.393 3.720 0 40 FHAB COc1cccc(-c2noc(CN(C)C(=O)Cc3cccc(Cl)c3)n2)c1 223842188 UQBJVMXDYKQENE-UHFFFAOYSA-N 371.824 3.600 0 40 FHAB CCOc1ccc(NC(=O)C2(C3(C(=O)N4CCCCC4)CC3)CC2)cc1 225926413 GUGVEJGMBTZKCN-UHFFFAOYSA-N 356.466 3.597 0 40 FHAB COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1CSc1ccccc1 224322643 DIPAXUWYHSOEJF-KRWDZBQOSA-N 357.475 3.896 0 40 FHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222694074 QXLUQDHXHZMGIU-KSSFIOAISA-N 371.433 3.501 0 40 FHAB O=Cc1ccccc1OCc1nc(-c2ccccc2Br)no1 89262873 YLHAJTLEHQIOOW-UHFFFAOYSA-N 359.179 3.891 0 40 FHAB COC(=O)c1ccc(C)c(NC(=S)NCCSCc2ccco2)c1 225347786 UEGHSUYJVLQHDN-UHFFFAOYSA-N 364.492 3.594 0 40 FHAB Cc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NCc2ccc(F)cc2)n1 225949008 DSWXVOYIMAYAHX-CYBMUJFWSA-N 373.501 3.647 0 40 FHAB COCc1cnc2n1CCN(C(=O)c1cc3cc(Cl)ccc3o1)[C@H]2C 96109639 DJMJLLRFCITVHH-NSHDSACASA-N 359.813 3.646 0 40 FHAB Cc1cnn(-c2ccccc2)c1NC(=O)[C@H]1COc2ccc(F)cc2C1 90650176 SYTNHNSBFXCBPK-OAHLLOKOSA-N 351.381 3.510 0 40 FHAB C[C@H]1CN(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 585145829 NTLJAKUNSKHLGK-AWEZNQCLSA-N 359.470 3.719 0 40 FHAB Cc1cccc(C2(NC(=O)c3cccc4c3O[C@@H](C)C(=O)N4)CCCC2)c1 591193885 ZMSKXKWXUJZNCT-HNNXBMFYSA-N 364.445 3.914 0 40 FHAB Cc1ncc2n1C[C@H](C(=O)Nc1cc(-c3ccccc3)nn1C(C)C)CC2 651343600 WKUHHPYLCPQFLH-QGZVFWFLSA-N 363.465 3.837 0 40 FHAB Oc1cc(-c2nc(O)c3c(-c4ccc(Cl)cc4)csc3n2)ncn1 1775997992 XTRQPKVGGZIVCA-UHFFFAOYSA-N 356.794 3.880 0 40 FHAB O=S(=O)(Nc1cc2c(cc1Cl)OCCO2)c1ccc(Cl)s1 8877643 DTPHSKLPKQQGIQ-UHFFFAOYSA-N 366.247 3.627 0 40 FHAB Cn1ncc(C2CC2)c1CNC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C 665967421 VMJCGPXOEVBMRB-UHFFFAOYSA-N 372.517 3.868 0 40 FHAB CN(C)C(=O)c1ccc(NC(=O)N[C@@]2(c3ccccc3)CC2(C)C)cc1 665232837 VNYHKBQGTPHBMD-OAQYLSRUSA-N 351.450 3.835 0 40 FHAB Cn1cc([C@@H]2C[C@H]2C(=O)N2CCc3sccc3[C@H]2c2cccs2)cn1 63917348 HUKYQSLNMIHNKY-DAYGRLMNSA-N 369.515 3.821 0 40 FHAB FC(F)Oc1ccc(CNc2cnc3[nH]ncc3c2)cc1Br 1657071689 QITSJUFYFSNAMR-UHFFFAOYSA-N 369.169 3.934 0 40 FHAB O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1cccc(Br)c1 3090405 HQQZJYWQJICAAS-QPEQYQDCSA-N 372.174 3.522 0 40 FHAB NC(=O)CCc1ccc(-c2ccc(Br)cc2Br)o1 226345019 SEPGOBNHTSIYLD-UHFFFAOYSA-N 373.044 3.890 0 40 FHAB Cc1cc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)[C@H](C)c3ccccc3)C2)on1 12087345 ACFLDUYLVUSCGB-NVXWUHKLSA-N 364.449 3.883 0 40 FHAB O=C(N[C@@H](c1ccncc1)c1ccc(Cl)cc1)C1Oc2ccccc2O1 12148551 HVDBLKGXFXJZNI-GOSISDBHSA-N 366.804 3.738 0 40 FHAB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)CSc1nnnn1-c1ccccc1 12656863 GZMSBOHTKFHPNA-XIRDDKMYSA-N 374.510 3.758 0 40 FHAB Cc1cccc(NCC(=O)Nc2ccccc2C(=O)NC2CCCC2)c1 12763912 RGLMMTJCZUHCEV-UHFFFAOYSA-N 351.450 3.718 0 40 FHAB CCN(CC)C(=O)c1ccc(NC(=O)CNc2cccc(Cl)c2)cc1 15289144 VEJDAFRVNAUJRY-UHFFFAOYSA-N 359.857 3.873 0 40 FHAB CC[C@H]1c2ccsc2CCN1C(=O)COc1ccc2ccc(=O)oc2c1 16778518 DJOGKWLMVODJAE-INIZCTEOSA-N 369.442 3.769 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccccc2F)cc1OC 19078658 SLFUQDODZQJQNZ-PBHICJAKSA-N 373.424 3.974 0 40 FHAB C[C@H](CC(=O)N1CCCC[C@@H]1CCN1CCCC1)n1cnc2ccccc21 19455279 PNNRPLQSUTUBNO-RTBURBONSA-N 368.525 3.854 0 40 FHAB Cc1nn(C)cc1CN1CCO[C@H](c2ccc(-c3ccccc3F)cn2)C1 19692589 OAWPVWMRRFVHAV-NRFANRHFSA-N 366.440 3.503 0 40 FHAB CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2Cc1ccc(F)cc1 19017750 LABVCVYWGDKWNY-YPAWHYETSA-N 370.443 3.944 0 40 FHAB CC(C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 28888102 SKECDWODCQUMGT-KGLIPLIRSA-N 367.449 3.969 0 40 FHAB O=C(Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2)c1cccc(F)c1 9036456 WNDYSDQLVQTSKK-UHFFFAOYSA-N 364.376 3.870 0 40 FHAB O=c1ccc(-c2ccccc2)nn1Cc1nc(-c2ccc(Cl)cc2)no1 16844755 AYFBHOYVDVFIGR-UHFFFAOYSA-N 364.792 3.662 0 40 FHAB Cc1ccc(S(=O)(=O)N2CC(n3c(C4CC4)nc4ccccc43)C2)s1 1775972690 RCLHNUHUVNFYBY-UHFFFAOYSA-N 373.503 3.529 0 40 FHAB O=C(/C=C/c1ccc2c(c1)OCO2)N(Cc1cccs1)C1CCOCC1 207961423 MNKGPARPCQYBLY-GQCTYLIASA-N 371.458 3.698 0 40 FHAB O=C(NC[C@H]1CCCN1c1ccccc1)c1cccc(Br)c1 207991917 OTKKQXYLWCLNSE-QGZVFWFLSA-N 359.267 3.848 0 40 FHAB O=c1ccc(-c2ccc(F)cc2)nn1Cc1ccc(Br)cc1 5399495 NETSDTIVBOEXNI-UHFFFAOYSA-N 359.198 3.860 0 40 FHAB CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccc(SC)cc1 8816540 QIEVJFKZNLXIEB-SFHVURJKSA-N 368.458 3.737 0 40 FHAB CNC(=O)c1ccc(C)c(NC(=O)Cc2coc3cc4c(cc23)CCC4)c1 24921211 UFKGPLVZCCZSRT-UHFFFAOYSA-N 362.429 3.771 0 40 FHAB Cc1cc(NC(=O)NC2(c3ccc(Br)cc3)CCC2)no1 50076582 HPLXSMXRAJOTRO-UHFFFAOYSA-N 350.216 3.946 0 40 FHAB Cc1cc([C@H](C)NC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)c(C)s1 40074296 VBWHQMYCXOOSCM-KSSFIOAISA-N 358.507 3.997 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H](COc2cccc(Br)n2)C1 40434954 BIWFCUZPVIMTCB-GFCCVEGCSA-N 371.275 3.870 0 40 FHAB COc1ccc(-c2nnc3c4cnn(-c5ccc(C)cc5C)c4ncn23)cc1 2422992 DLQBQBNSYYFRNE-UHFFFAOYSA-N 370.416 3.756 0 40 FHAB C[C@H](Sc1cc(-c2ccccc2)c2cc3c(cc2n1)OCCO3)C(N)=O 18807134 YNCFJSDWXFNVSI-LBPRGKRZSA-N 366.442 3.639 0 40 FHAB O=C([C@H]1COc2ccccc2O1)N(Cc1ccco1)c1cccc(F)c1 45514566 IAEMRDYKIRXKRP-LJQANCHMSA-N 353.349 3.792 0 40 FHAB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cnc2ccccc2n1 11251579 LJEPJZSMQDRITM-UHFFFAOYSA-N 366.808 3.662 0 40 FHAB COc1ccc(C(=O)CSc2nnc(CNc3ccc(F)cc3)o2)cc1 917174 HNCFAFYEPPVOKL-UHFFFAOYSA-N 373.409 3.804 0 40 FHAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H](c1ccccc1)n1cnnn1 32103985 REGJJRWUUAGJPT-HXUWFJFHSA-N 371.400 3.694 0 40 FHAB CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)C1=O 6630174 HGSRTEKSARZWIG-XDHOZWIPSA-N 360.417 3.555 0 40 FHAB Cc1ccc(CNC(=O)COCc2cc(-c3ccc(F)cc3)on2)cc1 6876436 HPSGUHMXRLJSIW-UHFFFAOYSA-N 354.381 3.622 0 40 FHAB Cc1cc(C)nc(SCC(=O)Nc2ccc(Br)c(C)c2)n1 6999687 GEDVXCUXYVBQTO-UHFFFAOYSA-N 366.284 3.895 0 40 FHAB CCn1cc(/N=c2\scc(C)n2[C@@H]2CCC[C@@H]([S@@](=O)CC)C2)cn1 101491812 HMRJDIWYGHOIPW-AMMVBBQRSA-N 366.556 3.559 0 40 FHAB C[C@H](NC(=O)COc1ccc(F)cc1)c1ccc(Br)cc1 8086497 QMJPKSJMOFWZIQ-NSHDSACASA-N 352.203 3.844 0 40 FHAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1csc(-c2ccsc2)n1 52166377 NQWKWUZEOCQCOT-UHFFFAOYSA-N 358.444 3.873 0 40 FHAB COc1cccc([C@@H]2C=C(c3ccc(C)c(C)c3)Nc3ncnn32)c1OC 102047924 LEVJZMSXRQANET-SFHVURJKSA-N 362.433 3.968 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cccnc2SC(F)F)c1 32741098 BTFZRGUGKHGXAH-SNVBAGLBSA-N 368.405 3.905 0 40 FHAB C[C@H](Nc1ccc(Oc2ccccc2Cl)cc1)C(=O)N1CCOCC1 57661201 KHFRJIARZQKXAD-AWEZNQCLSA-N 360.841 3.792 0 40 FHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc(-c3ccco3)on2)c(C)c1 37133059 MQMSHIZDDWKARV-UHFFFAOYSA-N 367.405 3.571 0 40 FHAB COc1ccccc1C(=O)N[C@@H](C(=O)Nc1cc(C)cc(C)c1)C(C)C 33002141 IHWIMSNCWOWOBM-LJQANCHMSA-N 354.450 3.705 0 40 FHAB COc1ccc(Oc2ncccc2NS(=O)(=O)c2cccs2)cc1 41615909 XODBMMMBZFLXBA-UHFFFAOYSA-N 362.432 3.745 0 40 FHAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)NC(=O)CO2 26757761 QPHCHTLZPFNYPK-ZDUSSCGKSA-N 368.433 3.721 0 40 FHAB COc1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)o1 853589 SVPOBAZNHFTGDV-UHFFFAOYSA-N 355.419 3.784 0 40 FHAB CCc1cccc(N2CCC(NC(=O)c3cccnc3SC)CC2)c1 61560482 NPQSGTAEBAIBPT-UHFFFAOYSA-N 355.507 3.765 0 40 FHAB CC(=O)N[C@H]1C(=O)N(CCCOc2ccc(Cl)cc2)c2c(C)cccc21 100485616 ULGFZJXSENHIIT-GOSISDBHSA-N 372.852 3.641 0 40 FHAB CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(N2CCCC2=O)cc1 23600910 BGWDEMSHZRZVNM-UHFFFAOYSA-N 374.387 3.687 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cccc(Oc3cnccn3)c2)c(C)c1 24576100 GAERXAGPSBGDGJ-UHFFFAOYSA-N 355.419 3.687 0 40 FHAB O=C(NCc1csc(-c2ccccc2)n1)c1cc2ccccc2oc1=O 3241458 ANEJZQCWVODTRY-UHFFFAOYSA-N 362.410 3.847 0 40 FHAB COc1cc(S(=O)(=O)Nc2cccc(F)c2C)c(OC)cc1Cl 1431557 CRPLWCZCLVWFKQ-UHFFFAOYSA-N 359.806 3.606 0 40 FHAB COc1ccc(C)cc1NC(=O)COC(=O)Cc1cccc2ccccc12 3217767 BPKOQGIWOMZMHF-UHFFFAOYSA-N 363.413 3.881 0 40 FHAB C[C@H](C(=O)Nc1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1 57292135 BAVURJAIMYWTSI-CQSZACIVSA-N 361.848 3.628 0 40 FHAB CCOc1ccccc1CN(C)S(=O)(=O)c1ccc(SC)cc1 64597034 QUPHNJFAQURRRO-UHFFFAOYSA-N 351.493 3.628 0 40 FHAB CC[C@H](CNC(=O)C[C@H]1Sc2ccccc2NC1=O)c1ccccc1 12613855 ONULFPKSGOIEBW-RDTXWAMCSA-N 354.475 3.800 0 40 FHAB CCOC(=O)C(CC)(CCC(=O)Nc1ccccc1Cl)C(=O)OCC 1886111 NUQQHPWCGREUJO-UHFFFAOYSA-N 369.845 3.581 0 40 FHAB C[C@@H]1Sc2ccc(C(=O)N3CCC[C@H](C(F)(F)F)C3)cc2NC1=O 10285372 ZJGHKGSBRBJXQP-ONGXEEELSA-N 358.385 3.534 0 40 FHAB Cc1cc(C)nc(SCC(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C)n1 58202391 ZVSJYFUSURGMDI-AWEZNQCLSA-N 366.490 3.813 0 40 FHAB O=C(O[C@H]1CCCCC1=O)c1ccccc1OCCOc1ccccc1 3301337 YDZLNAWHEYYBQZ-FQEVSTJZSA-N 354.402 3.813 0 40 FHAB O=C(NC[C@@H]1COc2ccccc2O1)C1c2ccccc2-c2ccccc21 3340756 XZTYWUCHUQFIGW-OAHLLOKOSA-N 357.409 3.755 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1ccccn1 12750951 ZRFMOTHQHILICZ-SNVBAGLBSA-N 369.646 3.581 0 40 FHAB CCOc1ccccc1OCCCC(=O)NCc1ccc(NC(C)=O)cc1 12794108 UMIRRVCQBVNWAJ-UHFFFAOYSA-N 370.449 3.519 0 40 FHAB CCc1c(C)c2ccc(OCC(=O)Nc3ccccc3C)cc2oc1=O 2315958 DTSHWGGHDFSZBV-UHFFFAOYSA-N 351.402 3.990 0 40 FHAB CCOc1ccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)c(OCC)c1 2303308 MKSDALFTMHTOAW-BOPFTXTBSA-N 355.365 3.968 0 40 FHAB CCOc1ccc(-c2nc(CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)cs2)cc1 12794701 SHZMBJQEJNVKOF-CALCHBBNSA-N 368.458 3.660 0 40 FHAB COC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1cccs1 12737081 YAWXJRQJUHLGOV-QGZVFWFLSA-N 353.443 3.864 0 40 FHAB Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)cc(C(=O)O)c1O 20144222 OAWKCZIJOROUSZ-UHFFFAOYSA-N 370.188 3.723 0 40 FHAB COc1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1Br 12891967 REIRTAWNXGZAMD-UHFFFAOYSA-N 360.251 3.919 0 40 FHAB COc1cc(CNc2cncc(-n3cccn3)n2)ccc1OC1CCCC1 62581853 WSFLHEIJAGOWAQ-UHFFFAOYSA-N 365.437 3.604 0 40 FHAB CN(C(=O)CSc1nnc(-c2ccc(F)cc2)n1C)C1CCCCC1 3520208 CNZMXDIQLUUGMO-UHFFFAOYSA-N 362.474 3.504 0 40 FHAB CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ncc(C)s2)CC1=O 13005958 KWJJZZBKOWMXFR-JSGCOSHPSA-N 357.479 3.957 0 40 FHAB COc1ccc(NC(=O)N2CCc3[nH]c4ccc(OC)cc4c3C2)cc1 4029944 JYYAHPHZNQIOEF-UHFFFAOYSA-N 351.406 3.775 0 40 FHAB biogenic CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccccc1Cl 4141398 AFJLVBSVDPYZRZ-OAHLLOKOSA-N 364.854 3.553 0 40 FHAB Brc1cccc(-c2nnc3sc(-c4ccncc4)nn23)c1 5032232 OGQQIZWDCDXJAO-UHFFFAOYSA-N 358.224 3.677 0 40 FHAB CCOc1cccc(-c2nnc3n2N=C(c2ccc(F)cc2)CS3)c1 5071208 SQGDYYBGZSMXNX-UHFFFAOYSA-N 354.410 3.841 0 40 FHAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccncc1 5120451 JAOOKCQMNGPYFQ-SECBINFHSA-N 364.776 3.793 0 40 FHAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc(C)c(C)c2)C1=O 14093591 FPLLPSYHGHSLDK-JOCHJYFZSA-N 364.445 3.734 0 40 FHAB Cc1cc(NC(=O)[C@H](C)Sc2n[nH]c(/C=C/c3ccccc3C)n2)no1 14196597 XEUHHAQAGDNJIT-XEHSLEBBSA-N 369.450 3.699 0 40 FHAB CS(=O)(=O)NCCc1ccc(-c2csc(-c3cccs3)n2)cc1 14103058 LVJRJLGTRUCIMU-UHFFFAOYSA-N 364.517 3.630 0 40 FHAB COc1ccc(-c2nn3c(-c4cc(-c5ccccc5)n[nH]4)nnc3s2)cc1 5456635 LIBKZNCRMITAIQ-UHFFFAOYSA-N 374.429 3.919 0 40 FHAB CC(=O)N1CCC(NC(=O)c2oc3c(ccc4ccccc43)c2C)CC1 14241270 DXWSZHWYQPGOTI-UHFFFAOYSA-N 350.418 3.635 0 40 FHAB COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(C)c(F)c2)C(C)C)cc1 6508549 PJRIJMPBBXHBIS-SFHVURJKSA-N 358.413 3.536 0 40 FHAB CCN(CC)CCC[C@@H](C)NCc1nnc(-c2ccc(Cl)cc2)o1 6552425 MJLYHNZPHXBZLC-CQSZACIVSA-N 350.894 3.990 0 40 FHAB COc1ccc(NC(=O)CCc2c(C)c3ccc(O)c(C)c3oc2=O)cc1 6660842 RNCVGZJXORSWNQ-UHFFFAOYSA-N 367.401 3.695 0 40 FHAB Cc1cccc(N2N=C(C(=O)Nc3ccc(F)c(Cl)c3)CCC2=O)c1 6635713 AFNGETUJANDGEA-UHFFFAOYSA-N 359.788 3.909 0 40 FHAB CCN(CC)[C@H](CNS(=O)(=O)c1cccs1)c1ccccc1Cl 14633323 PQMFBTNNUXNYNT-OAHLLOKOSA-N 372.943 3.763 0 40 FHAB O=c1c2ccccc2nc(SC[C@H]2CCCO2)n1-c1ccc(F)cc1F 6990613 XKTBGFBMHCARIY-CYBMUJFWSA-N 374.412 3.935 0 40 FHAB COc1cccc(-c2nnc(SCCO)n2-c2ccc(Cl)cc2)c1 6979608 SDANFBCJQGMOGC-UHFFFAOYSA-N 361.854 3.681 0 40 FHAB CCN(CC)C(=O)CSc1nccn2nc(-c3ccc(C)c(C)c3)cc12 67289655 LOSJKLJRRAPBCA-UHFFFAOYSA-N 368.506 3.974 0 40 FHAB COc1ccccc1OCCOCCN1CCCC[C@@H]1c1cccnc1 8744555 ALULIKCKUALVGQ-LJQANCHMSA-N 356.466 3.713 0 40 FHAB biogenic Cc1ccc(-c2cnc(-c3ccccc3C(=O)OCC(=O)N(C)C)o2)cc1 7415146 WJYZQNAFHUFQII-UHFFFAOYSA-N 364.401 3.562 0 40 FHAB Cc1cc(C)cc(OCC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1 15860040 NOWXFLFSCKHSIQ-IBGZPJMESA-N 356.466 3.619 0 40 FHAB C[C@@H](NC(=O)CSc1ncnc2c1oc1ccccc12)c1ccco1 7566893 FDDYHNYZQIMWNP-LLVKDONJSA-N 353.403 3.939 0 40 FHAB O=C1CSc2ccc(C(=O)OCc3c(F)cccc3Cl)cc2N1 9075140 PMMSFSISCCPMDH-UHFFFAOYSA-N 351.786 3.880 0 40 FHAB CCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccc(OC)cc1 9427646 GCOVFNINBAZVEH-UHFFFAOYSA-N 350.418 3.788 0 40 FHAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2cccc(C(=O)NC3CC3)c2)o1 9457700 NTAJJLOROOCDDV-LWWAGVBASA-N 350.418 3.947 0 40 FHAB CCSc1nc(N)c2c3c(sc2n1)CN(Cc1ccccc1)CC3 19830874 LOQPXPATFSJJGH-UHFFFAOYSA-N 356.520 3.944 0 40 FHAB Cc1ccc(-c2nnc([C@@H](C)Sc3nnnn3C3CCCC3)o2)cc1 9500677 UYTFCTZIQWCJDU-GFCCVEGCSA-N 356.455 4.000 0 40 FHAB CC(C)Oc1ccccc1CNc1cccc(S(=O)(=O)NC2CC2)c1 97162143 QPRMFQVCGNHIAQ-UHFFFAOYSA-N 360.479 3.527 0 40 FHAB Cc1nc(C(=O)Nc2ccc(Cn3cncn3)cc2)c(CC(C)C)s1 72403571 JVBIKRXYMHZVPN-UHFFFAOYSA-N 355.467 3.542 0 40 FHAB CN1CCC([C@@H]2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)C2)CC1 95440588 ALFNVQWITHWSAB-CQSZACIVSA-N 355.404 3.901 0 40 FHAB C[C@@H](c1ccccc1F)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 76744286 SJMRTGSSLADHCR-AWEZNQCLSA-N 370.424 3.966 0 40 FHAB CC(C)c1cc(-c2nnc3sc(-c4cccc(F)c4F)nn23)n(C)n1 79480093 YRZTWXSVVFTHAB-UHFFFAOYSA-N 360.393 3.655 0 40 FHAB Cc1ccc(NCC(=O)Nc2ccccc2I)cc1 408599046 NWUFDESUPCHAGP-UHFFFAOYSA-N 366.202 3.650 0 40 FHAB Cc1ccccc1CN1CCC(C(=O)NCCCN2CCCCCC2)CC1 39762142 FJFJUPUSZVMYMW-UHFFFAOYSA-N 371.569 3.589 0 40 FHAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCCN3CCCCC3)cc2)C1 30755490 BKKUIRVWSRPBLT-IBGZPJMESA-N 357.542 3.524 0 40 FHAB CC[C@@H](C)c1ccc([C@@H](CC)NC(=O)c2cc(C)nc3ncnn23)cc1 36619528 PUYCXWTWIUOYPK-CXAGYDPISA-N 351.454 3.827 0 40 FHAB CCn1c(SCC(=O)NC2CCC(C)CC2)nnc1-c1ccccc1 32911169 TXIUJNRIXZCENK-UHFFFAOYSA-N 358.511 3.752 0 40 FHAB Brc1ccccc1CSc1nncn1Cc1ccco1 48354345 VWILMWWWCNSNDT-UHFFFAOYSA-N 350.241 3.974 0 40 FHAB CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 43739471 ZNDCVQMMLDTELE-ZDUSSCGKSA-N 358.825 3.730 0 40 FHAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(F)(F)F)c2)cc1F 225101687 VBZKNEWXXYUORG-UHFFFAOYSA-N 363.332 3.678 0 40 FHAB CN(c1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1)S(C)(=O)=O 222407382 HMQXCTKPZUFKMU-UHFFFAOYSA-N 373.261 3.642 0 40 FHAB C[C@@H]1Oc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2N(C)C1=O 41014813 UNTZSDLOGGVQMW-PXRHCINRSA-N 354.450 3.585 0 40 FHAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN(C)C)cc1 225702813 SPXFOWFURWNOOG-FQEVSTJZSA-N 350.503 3.941 0 40 FHAB COc1cc(N)cc(Br)c1NC(=O)c1ccc(Cl)cc1 227146752 DQZPWDFFXKCQJZ-UHFFFAOYSA-N 355.619 3.946 0 40 FHAB CCOc1ccc(NC(=O)Cn2ccc(=O)c3ccc(Cl)cc32)cc1 225734857 LRUAZSRAWLJJNH-UHFFFAOYSA-N 356.809 3.692 0 40 FHAB CN(c1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1 224725073 XKQOSQYZNNFRGX-UHFFFAOYSA-N 360.660 3.928 0 40 FHAB CCOC(=O)c1cc(NC(=O)[C@@](C)(CC)OC)ccc1O[C@H](C)CC 225790877 GYNMKILMNUFIGJ-BFUOFWGJSA-N 351.443 3.794 0 40 FHAB Cc1c([C@H]2SCC(O)=Nc3ncn(-c4ccc(Cl)cc4)c32)cnn1C 95479934 MNFSAHYXONVLFG-MRXNPFEDSA-N 373.869 3.992 0 40 FHAB O=C1CC[C@@]2(CCCN(Cc3cccs3)CC2)N1Cc1ccncc1 96218084 XKRUOMQAKFVGPT-HXUWFJFHSA-N 355.507 3.690 0 40 FHAB Cc1ccc(NC(=O)c2ccc3nnc4ncn(CC(C)C)c4c3c2)cn1 96146641 GBIPYISJHDHKBR-UHFFFAOYSA-N 360.421 3.591 0 40 FHAB Fc1ccc2c(c1)nc1n2[C@@H](CNCc2ccnc3ccccc23)COC1 96112721 PMEJXXSEKWKLMP-INIZCTEOSA-N 362.408 3.585 0 40 FHAB biogenic,in-vitro C[C@H](NC(=O)N1CCC[C@H](n2ccnc2)C1)c1ccc(F)c(Cl)c1 590859873 CEZQVVWUYMQBPU-JSGCOSHPSA-N 350.825 3.783 0 40 FHAB COc1ccc(C(=O)NCc2sc(-c3ccccc3Cl)nc2C)nn1 90593310 ZKFCJLJAXMCQIS-UHFFFAOYSA-N 374.853 3.501 0 40 FHAB C[C@H](NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C(C)(C)C(F)F 657855548 GQQGNEQSUUBBPW-KFWWJZLASA-N 368.468 3.705 0 40 FHAB Cc1ccccc1-c1nnc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)n1C 5859560 JCHOCQIUIBFZRH-GOEBONIOSA-N 358.511 3.578 0 40 FHAB Cc1c(Cl)cccc1NC(=O)C(=O)NCC1(c2ccc(F)cc2)CC1 11988676 OGNQTLYDKMBOSG-UHFFFAOYSA-N 360.816 3.574 0 40 FHAB O=C(COc1ccc(Cl)cc1)N1CCc2[nH]c3ccc(F)cc3c2C1 12391376 LIGLHMLBYMHCKN-UHFFFAOYSA-N 358.800 3.924 0 40 FHAB Cc1ccc(-c2csc(NC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)n2)cc1 12932857 JKXZOEDDVLWJNK-KSSFIOAISA-N 373.503 3.511 0 40 FHAB O=S(=O)(Cc1ccccc1Cl)NCCSCc1ccccc1F 13646621 UKGWZDGHOVSXFY-UHFFFAOYSA-N 373.902 3.832 0 40 FHAB Cc1ccc(C)c(OCC(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 14001184 NLERBNVHIZTNFF-UHFFFAOYSA-N 366.461 3.947 0 40 FHAB O=C(NCc1ccccc1F)[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 15935480 KGDNNXYDAIVQJI-HNNXBMFYSA-N 373.403 3.525 0 40 FHAB COc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cn1 17296606 AYVDJKCHTNESRN-UHFFFAOYSA-N 356.385 3.953 0 40 FHAB Cc1cc(C[C@@H]2CCC[C@H]2NC[C@@H](C)Cc2ccc3c(c2)OCO3)on1 19120503 HKMQGNJHBULSIX-UCLAIMLFSA-N 356.466 3.891 0 40 FHAB Cc1ccc(C(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)o1 26002803 UOGJHVPJHOHFSW-UHFFFAOYSA-N 363.439 3.590 0 40 FHAB COc1cccc(C(=O)Nc2ccc(N3CCCCC3=O)c(C)c2)c1OC 5441328 VLXBNUUQSYVYTD-UHFFFAOYSA-N 368.433 3.781 0 40 FHAB COc1ccc(Cc2nnc(NC(=O)/C=C/c3ccccc3Cl)o2)cc1 8923269 DICFCUGPHISGBX-DHZHZOJOSA-N 369.808 3.974 0 40 FHAB Cc1ccc(C)c(NC(=O)c2c[nH]c3c(c(C)nn3-c3ccccc3)c2=O)c1 10166781 OQCMFBQQDOSNIZ-UHFFFAOYSA-N 372.428 3.891 0 40 FHAB Cc1ccc(Cc2nnc(NC(=O)c3nc4ccccc4s3)o2)cc1 36657042 CUKQSMNCJADAIU-UHFFFAOYSA-N 350.403 3.831 0 40 FHAB CC(=O)c1ccc(CCNS(=O)(=O)c2cccc3ccccc23)s1 225673808 OFAJFWSKVXEANM-UHFFFAOYSA-N 359.472 3.625 0 40 FHAB Cc1cccc(OCCNC(=O)NCc2ccsc2-n2cccc2)c1 40155875 MSMJGRMTYFAUFT-UHFFFAOYSA-N 355.463 3.725 0 40 FHAB COc1ccccc1-c1ccc(=O)n(Cc2ccccc2Br)n1 40266273 CIDUHRWDIFUWHG-UHFFFAOYSA-N 371.234 3.730 0 40 FHAB CN1C(=O)CC[C@H](C(=O)Nc2ncc(C(C)(C)C)s2)[C@H]1c1ccccc1 81234306 RVCBAGJSPGPHDY-WMLDXEAASA-N 371.506 3.989 0 40 FHAB O=c1n(CCSCc2ccc(Cl)c(Cl)c2)nc2ccccn12 28907370 OGDIKNPVLFBOLY-UHFFFAOYSA-N 354.262 3.736 0 40 FHAB CCN(CC)c1ccc2c(C)c(I)c(=O)oc2c1 863131 DRTYANIJZQWONA-UHFFFAOYSA-N 357.191 3.552 0 40 FHAB Cc1cc(-n2c(C)cc(-c3csc(CCN4CCOC4=O)n3)c2C)no1 45816817 CPQSDPHEUAEUJV-UHFFFAOYSA-N 372.450 3.509 0 40 FHAB O=C(Nc1cc(Cl)ccc1Cl)C1CCN(c2ncccn2)CC1 4965890 UFRCREYGGPZMHW-UHFFFAOYSA-N 351.237 3.639 0 40 FHAB CCCN1C(=O)S/C(=C/c2ccc(I)cc2)C1=O 6657134 MVXGJTRAUNBVJZ-DHZHZOJOSA-N 373.215 3.738 0 40 FHAB CCCOc1ccc([C@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)cc1OC 6678832 HNVDZWPEPXJLSX-BDJLRTHQSA-N 361.467 3.679 0 40 FHAB O=C1C[C@@H](C(=O)N2CCC[C@@H]2c2cccs2)CN1c1ccccc1F 32674896 VDIIENDHQKOYOW-CZUORRHYSA-N 358.438 3.604 0 40 FHAB Cc1ccc(-n2nnc(C(=O)NCc3ccccc3Cl)c2C)cc1C 51318241 SERNEAUDUYHXND-UHFFFAOYSA-N 354.841 3.776 0 40 FHAB COc1ccc(CN(C)C(=O)c2sc(-c3ccccn3)nc2C)cc1 21924392 QCTLFNVPTKLJFE-UHFFFAOYSA-N 353.447 3.794 0 40 FHAB CN(C)c1ccc(NC(=O)CCCc2ncc(-c3ccccc3)o2)cn1 33241477 LLHWLIKUPFUBAV-UHFFFAOYSA-N 350.422 3.764 0 40 FHAB Cc1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)nc1-c1ccc(F)cc1 2738024 XWJJYBAUSQFKSQ-KGLIPLIRSA-N 360.410 3.863 0 40 FHAB CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)CC 798262 SDLWXUWHLOZRKQ-UHFFFAOYSA-N 363.435 3.958 0 40 FHAB CCOc1cc(S(=O)(=O)N2CCCC[C@H]2CC)c(OCC)cc1C 9061983 JGUDPEMNNVVILC-OAHLLOKOSA-N 355.500 3.746 0 40 FHAB CC(C)(C)NC(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21 817628 DDZYVJFNKMYSFX-UHFFFAOYSA-N 352.409 3.926 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Cn1cc(Br)cn1 28237304 UZCJYVWPGWGTGI-JTQLQIEISA-N 356.651 3.882 0 40 FHAB Cc1nn(C)c2ncc(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)cc12 23749419 WJJAKASGOOXMPO-UHFFFAOYSA-N 364.405 3.571 0 40 FHAB O=C(C[C@@H]1C=CCC1)Nc1ccccc1NS(=O)(=O)c1cccs1 23194736 NFJPMFAYWNTATI-CYBMUJFWSA-N 362.476 3.844 0 40 FHAB COC(=O)C[C@@H](NC(=O)c1cnc(-c2ccccc2)s1)c1cccs1 47074780 PJKJFLZFFITYCI-CYBMUJFWSA-N 372.471 3.906 0 40 FHAB O=S(=O)(c1ccc(Cl)c(Cl)c1Cl)n1nnc2ccccc21 1065429 NDUPJUJSLQFXMC-UHFFFAOYSA-N 362.625 3.629 0 40 FHAB Cc1cc(OCCOC(=O)c2cc3c([nH]c2=O)CCC3)ccc1C(C)C 61447611 HZJOGIKSSXRYNA-UHFFFAOYSA-N 355.434 3.531 0 40 FHAB O=C1[C@@H]2[C@@H]3c4ccccc4[C@H]([C@@H]4C=CC=C[C@@H]43)[C@H]2C(=O)N1Cc1ccco1 100607286 AUALTXBXGOSYHI-CJNNMXBWSA-N 357.409 3.634 0 40 FHAB CC(C)CCn1c(COc2ccccc2)nnc1SCc1nccn1C 59337858 AADGTEWHHHSBFN-UHFFFAOYSA-N 371.510 3.929 0 40 FHAB CCCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 100743405 OTLUDXHDCJYXCB-UOVPBQLFSA-N 355.434 3.569 0 40 FHAB Fc1cccc([C@@H]2CCCN2C[C@H]2CN(Cc3ccccc3)CCO2)c1 106109725 MGTNBLMEXLEPLM-YADHBBJMSA-N 354.469 3.864 0 40 FHAB Cc1ccc(C2(O)[C@H]3CCC[C@H]2CN(Cc2ccc(F)c(F)c2)C3)nc1 100149334 JRTPFWMTUQRAGQ-IRXDYDNUSA-N 358.432 3.788 0 40 FHAB C[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(Cl)cc1 25456980 GLHQWPFWXYEVTC-CQSZACIVSA-N 356.853 3.953 0 40 FHAB CC(C)c1cc(C(=O)NCCc2cn3ccccc3n2)c2ccccc2n1 25529008 LKAOYEBMMDKNAO-UHFFFAOYSA-N 358.445 3.978 0 40 FHAB COC(=O)N(C)c1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 56448807 ILJOQVQYRVIBLJ-UHFFFAOYSA-N 371.418 3.761 0 40 FHAB Nc1c(Cl)cc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1Cl 89781077 RPKBNNMRMWEGJS-UHFFFAOYSA-N 366.248 3.665 0 40 FHAB CN(Cc1ccccc1N1CCCCC1)Cn1nc(C2CC2)n(C)c1=S 12549295 VNMKSCUFSJZLDL-UHFFFAOYSA-N 371.554 3.908 0 40 FHAB Oc1ccccc1N1CCN(c2ccc(-c3nc4ccccc4[nH]3)cn2)CC1 12532433 YTWRMBZQYHUAGO-UHFFFAOYSA-N 371.444 3.657 0 40 FHAB CCCN1C(=O)c2ccccc2N[C@H]1c1cc2c(cc1OC)C[C@H](C)O2 26757141 JTJPOSAMBINYLX-RNODOKPDSA-N 352.434 3.995 0 40 FHAB COc1ccc([C@H](CNC(=O)Cc2ccccc2)N2CCCCCC2)cc1 27793783 PNCCWXWMKIAPOP-QFIPXVFZSA-N 366.505 3.971 0 40 FHAB biogenic Cc1cccc(COc2ccccc2C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 27465983 GXJFGNAZYPSGCA-UHFFFAOYSA-N 373.412 3.996 0 40 FHAB Cc1ccc(CNC(=O)CSCc2nc(-c3ccc(C)cc3)no2)cc1 28908451 ZFHVMCKFDGHCJK-UHFFFAOYSA-N 367.474 3.903 0 40 FHAB O=C(c1ccccc1-c1ccccc1)N1CCCN(C[C@H]2CCCO2)CC1 47851447 CLSOSLTVHUNLML-HXUWFJFHSA-N 364.489 3.681 0 40 FHAB Cc1nc2ccc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2s1 3293114 JDUOJICUBSDFRK-UHFFFAOYSA-N 365.414 3.510 0 40 FHAB COC(=O)C[C@H](NC(=O)c1cccc2c1O[C@@H](C)[C@@H]2C)c1ccc(C)cc1 36389834 YYWSKOQFZSSXIP-DOXZYTNZSA-N 367.445 3.914 0 40 FHAB CCOCc1ccc(CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 28331323 ZRKFPEMCRDMUIV-UHFFFAOYSA-N 361.507 3.935 0 40 FHAB CCOc1ccc(NC(=O)CCc2nc(-c3cccc(OC)c3)no2)cc1 2336735 ZHFRYPDWTMZVGA-UHFFFAOYSA-N 367.405 3.715 0 40 FHAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc2ccccc2n1 3224841 GNVMAIRPUHKEQN-UHFFFAOYSA-N 370.792 3.692 0 40 FHAB CN(C)[C@@H](CNC(=O)c1cccn1Cc1cccs1)c1cccs1 70004350 UZEWIAASTMQTKR-INIZCTEOSA-N 359.520 3.692 0 40 FHAB CC(C)n1ncc2cc(C(=O)N[C@@H]3CCCC[C@H]3C(F)(F)F)cnc21 12799487 ICFGKGSVSMVARP-ZIAGYGMSSA-N 354.376 3.863 0 40 FHAB COc1cc(OC)c(NC(=O)Cc2csc3nc(C)cn23)cc1Cl 12741186 PPPRHHWGXMAXTB-UHFFFAOYSA-N 365.842 3.556 0 40 FHAB COc1ccc(CCNC(=O)Cc2nc(-c3cccs3)oc2C)cc1 12742728 CWNRMHWTFYLKOZ-UHFFFAOYSA-N 356.447 3.622 0 40 FHAB O=C(OCc1cc(-c2ccccc2)no1)c1ccc(N2CCCC2=O)cc1 12807549 NVPDJCLYSAWYDO-UHFFFAOYSA-N 362.385 3.825 0 40 FHAB CCCCn1c(SCc2nc(-c3cccs3)oc2C)n[nH]c1=O 12881966 GCOLDOSKQIAFLK-UHFFFAOYSA-N 350.469 3.689 0 40 FHAB CC(C)C[C@H](CNC(=O)Nc1cccc2ccccc12)N1CCOCC1 12817688 YSSVTWSXFYCNFM-GOSISDBHSA-N 355.482 3.708 0 40 FHAB Cc1cccc2sc(NC(=O)c3ccc(N4CCCC4=O)cc3)nc12 3427136 WEHBZHXFERNTLT-UHFFFAOYSA-N 351.431 3.984 0 40 FHAB COc1ccc(CCNC(=O)c2csc(-c3ccc(OC)cc3)n2)cc1 12918111 XUTFUROUUPSBQF-UHFFFAOYSA-N 368.458 3.800 0 40 FHAB CCOc1ccccc1/C=C/C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 12901447 TXJGFFJPKCIGSL-QSOAKEGCSA-N 362.433 3.557 0 40 FHAB Cc1ccc(S(=O)(=O)[C@H](C)N2C(=O)N(C)[C@H](C)[C@@H]2c2ccccc2)cc1 12954910 LCWJHQHSRNGRNU-GPMSIDNRSA-N 372.490 3.612 0 40 FHAB CN1C/C(=C\c2ccc3c(c2)OCO3)c2nc3ccccc3c(C(=O)O)c2C1 3885062 WZPFLPZHLBODBD-RIYZIHGNSA-N 374.396 3.648 0 40 FHAB C[C@H](OC(=O)c1ccc(N2CCCCC2=O)cc1)c1nc2ccccc2[nH]1 64358854 YNVOCVMTEIGJJK-AWEZNQCLSA-N 363.417 3.998 0 40 FHAB Cc1cc(=O)oc2cc(OCC(=O)NCc3cccs3)c(Cl)cc12 6365569 LBHXQLSGWYABQZ-UHFFFAOYSA-N 363.822 3.512 0 40 FHAB CCOc1ccc(NC(=O)c2cc(Br)c[nH]2)cc1OCC 14185826 IFVDVTBICAGMHO-UHFFFAOYSA-N 353.216 3.827 0 40 FHAB C[C@@H](NC(=O)COc1ccccc1-c1ccccc1)c1nnc2ccccn12 14190027 XZQGBXIYHGKOKW-MRXNPFEDSA-N 372.428 3.653 0 40 FHAB Cc1csc2nc(SCC(=O)N[C@@H](C)c3ccccc3)nc(O)c12 408597845 JTHMLPFCSSEOBD-NSHDSACASA-N 359.476 3.675 0 40 FHAB COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C)cc1C 5504932 GFACCJVFIWCRFP-IBGZPJMESA-N 365.433 3.579 0 40 FHAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1Cc1cccc(C(F)(F)F)c1 6649195 CJGJVMKJPBGFNF-SFHVURJKSA-N 360.335 3.599 0 40 FHAB CCOc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccc(C)cc3)o2)cc1 14720954 SXOSQJNJKBEUDZ-AWEZNQCLSA-N 367.405 3.850 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)c3ccc[nH]3)n2C(C)C)cc1 6838895 GUEUKVPVBDKYBR-UHFFFAOYSA-N 356.451 3.838 0 40 FHAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)c1 408584698 TZDOTJPHXRYJAX-UHFFFAOYSA-N 374.506 3.798 0 40 FHAB CC[C@H](C)NC(=O)COC(=O)c1ccccc1C(=O)c1cc(C)ccc1C 4987829 IJVRQCUXOWEEEC-INIZCTEOSA-N 367.445 3.606 0 40 FHAB C[C@H](NC(=O)c1ccc2c(c1)OCCCO2)c1ccc(-n2ccnc2)cc1 18048493 VGGWGHAGSAAUBJ-HNNXBMFYSA-N 363.417 3.525 0 40 FHAB O=c1cc(CN(Cc2ccco2)Cc2cccs2)nc2sccn12 7580707 MYFPEDWFLVRPMI-UHFFFAOYSA-N 357.460 3.613 0 40 FHAB C[C@@H](Oc1ccccc1Cl)C(=O)NCc1nc(-c2cccs2)no1 68018169 SIEOLVLCOLZFJK-SNVBAGLBSA-N 363.826 3.535 0 40 FHAB O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(F)cc1F 68141035 FCAHGRHJOKQNFP-UHFFFAOYSA-N 363.751 3.641 0 40 FHAB Cc1ccc(C)c(C(=O)CSc2nc3nc(C)cc(C)c3c(=O)[nH]2)c1 9057146 CEMLORNVKSGDIJ-UHFFFAOYSA-N 353.447 3.527 0 40 FHAB COc1cccc([C@@H](NC(=O)Nc2ccc(Cl)cc2)c2nccn2C)c1 9318323 DRMWSYZAOPJIAI-QGZVFWFLSA-N 370.840 3.993 0 40 FHAB CC(C)CCNC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 9471626 CGDXTEZQCKOGRN-UHFFFAOYSA-N 373.460 3.932 0 40 FHAB Cc1ccc(CN(C)C(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1 95954000 YRGQFAMIWFSTDQ-UHFFFAOYSA-N 351.233 3.899 0 40 FHAB CN(C(=O)c1cnsn1)[C@H]1CCSc2ccc(Br)cc21 95947734 BPFKUMCGZHJJNC-NSHDSACASA-N 370.297 3.610 0 40 FHAB CCOc1ccc2nc(NC(=O)c3ccc4nsnc4c3)sc2c1 21595520 MQRUEMALGORBDC-UHFFFAOYSA-N 356.432 3.952 0 40 FHAB Clc1ccccc1COc1ccc(CNCCCN2CCOCC2)cc1 22074028 ZQOPFOHTNZXWQD-UHFFFAOYSA-N 374.912 3.731 0 40 FHAB c1cc(CN2CCCC[C@H]2c2ccnc(Nc3nccs3)n2)ccn1 72377629 DMNWBERAAYXNFR-INIZCTEOSA-N 352.467 3.799 0 40 FHAB O=C(NCCCC(=O)N(Cc1ccc(F)cc1)C1CC1)c1ccsc1 32744780 VWBGFVOLPZFHBY-UHFFFAOYSA-N 360.454 3.588 0 40 FHAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@@H]2c1cccc(Br)c1 71282280 WWBZTRNYOGOCQK-LLVKDONJSA-N 350.216 3.643 0 40 FHAB COc1ccc(CN2C[C@@H]3[C@@H](CCC[C@]3(O)c3ccccc3OC)C2)cc1 72340972 HPMXDWWNRHTGIO-ZEYPLWLESA-N 367.489 3.824 0 40 FHAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 40140866 NSQADSWRDFKNFN-VXGBXAGGSA-N 360.351 3.591 0 40 FHAB CCCCc1ccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)cc1 222434083 SEOZKSPWLJSQQC-UHFFFAOYSA-N 374.506 3.986 0 40 FHAB Cc1cn2c(CN(C)C(=O)[C@H]3CCCc4c(O)cccc43)c(C)nc2s1 190904536 NZLSUTAIXZHEED-INIZCTEOSA-N 369.490 3.797 0 40 FHAB Cc1cc(N)cc(Br)c1NC(=O)COc1c(C)cccc1C 227145265 FJVMIAJDKKBLGJ-UHFFFAOYSA-N 363.255 3.974 0 40 FHAB CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccccc1 225683265 SPARYYPAJIGDLW-IBGZPJMESA-N 366.505 3.604 0 40 FHAB O=C1CN(C(=O)CSCc2ccc(Cl)cc2F)c2ccccc2N1 224538334 ZFZSLBKFTSFUOJ-UHFFFAOYSA-N 364.829 3.698 0 40 FHAB CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C\C=C\c2ccco2)SC1=S 222169624 RFVRNYGFTJZRAU-DJSCXANDSA-N 351.449 3.536 0 40 FHAB C[C@@H](Oc1ccc(-c2cc(C(F)(F)F)cnc2N(C)C)cc1)C(=O)O 91695564 AVVGOXGPSAAELM-SNVBAGLBSA-N 354.328 3.685 0 40 FHAB CNC(=O)C[C@@H]1CC2(CCN(Cc3ccc(C)o3)CC2)Oc2ccccc21 96053254 PMGJYDFPGRVGJS-QGZVFWFLSA-N 368.477 3.625 0 40 FHAB COc1ccc(CN2CCC3(CCC(=O)N3Cc3ccccc3)CC2)cc1 96049419 GCWIGWPEYHWWON-UHFFFAOYSA-N 364.489 3.852 0 40 FHAB Cn1cc(-c2cnc(Nc3ccccc3)nc2)cc1C(=O)Nc1cccnc1 96037592 ACEXXHFZKLTLFY-UHFFFAOYSA-N 370.416 3.873 0 40 FHAB O=C(CC1CCOCC1)N1CCC[C@@H](Cc2ccc3[nH]ncc3c2)CC1 257327053 WZRVSBSXRIIYPN-MRXNPFEDSA-N 355.482 3.551 0 40 FHAB Nc1ccccc1SCCN1CCN(c2ccc3ccccc3n2)CC1 601008699 UWBGQYWDOOMSME-UHFFFAOYSA-N 364.518 3.731 0 40 FHAB C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)C[C@H](O)Cc1ccccc1 618983219 FNKONDKGMYRUNT-VMRPVKRXSA-N 373.880 3.622 0 40 FHAB Cc1ccc(-c2n[nH]c3c2CCN(C(=O)Cc2ccc(F)cc2)CC3)cc1 585110424 SPJHKGLAWKBXRX-UHFFFAOYSA-N 363.436 3.694 0 40 FHAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(Cc2cccc(Cl)c2)C3)n1 585105439 WNAFWNLFOKQKMO-HXUWFJFHSA-N 372.896 3.994 0 40 FHAB Cc1noc(C)c1CC(=O)Nc1ccc(-c2noc(C(C)(C)C)n2)cc1 65882848 OMPVSZXUFJORCV-UHFFFAOYSA-N 354.410 3.820 0 40 FHAB CC(C)(C)OC(=O)NCCCC(=O)N[C@H]1CCSc2ccccc21 57974143 ZQVXHOGPJUCONP-AWEZNQCLSA-N 350.484 3.645 0 40 FHAB O=C(C[C@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccc(F)cc1 644128 BDNAEDXMOWNCIW-MRXNPFEDSA-N 354.164 3.545 0 40 FHAB COCC1(C2CCC2)CN(C(=O)N[C@H](C)[C@H]2CCCc3ccccc32)C1 1615556440 XFJNOKAZMZQOMH-VQIMIIECSA-N 356.510 3.953 0 40 FHAB COc1ccc(CC(=O)Nc2ccc(N3CCCCC3)cc2)cc1OC 5798487 HMMZNJZGVHEWPM-UHFFFAOYSA-N 354.450 3.875 0 40 FHAB Cn1cc([C@H]2CCCCCN2C(=O)c2cc(-c3ccccc3F)no2)cn1 12119518 GPMVZONPXPCXPF-GOSISDBHSA-N 368.412 3.972 0 40 FHAB Cc1ccc(NC(=O)CN(C)CCC(=O)Nc2ccccc2Cl)cc1 12777549 NFLUFQPUCQXYGE-UHFFFAOYSA-N 359.857 3.548 0 40 FHAB CCCCCC[C@@H](O)C/C=C/CCCCCCCC(=O)OC[C@H](O)CO 13546141 HDIFHQMREAYYJW-KBAGWLGSSA-N 372.546 3.891 0 40 FHAB C[C@H](Sc1nnnn1Cc1ccccc1)C(=O)c1ccc2c(c1)CCC2 16448101 ANSUWOIUJGWEOH-AWEZNQCLSA-N 364.474 3.574 0 40 FHAB Cc1c(NC(=O)[C@@H](C)Oc2ccc(F)cc2)cccc1C(=O)N1CCCC1 19661376 HWTNQDRPFBAQHP-OAHLLOKOSA-N 370.424 3.776 0 40 FHAB CCN(CC)C1CCN(C(=O)Cc2c(C)[nH]c3c(C)ccc(C)c23)CC1 19716878 TXGCIZXJSQXZNJ-UHFFFAOYSA-N 355.526 3.968 0 40 FHAB COc1ccc(CN2C[C@@H]3CCCN3C[C@H]2Cc2ccccc2)cc1OC 19561193 VGKRGIPEKDENKC-LEWJYISDSA-N 366.505 3.595 0 40 FHAB CCc1nnc(C2CCN(C(=O)NCc3ccc(Cl)cc3)CC2)s1 23140930 YUBLHNBERHHCOU-UHFFFAOYSA-N 364.902 3.843 0 40 FHAB CCOC(=O)c1cn(CC2CCCCC2)c2cc(F)c(OC)cc2c1=O 1888930597 KXVKODVSSPCMNB-UHFFFAOYSA-N 361.413 3.906 0 40 FHAB COc1ccc2oc(=O)c(S(=O)(=O)c3ccc(C(C)C)cc3)cc2c1 2686667 MXVFVQWBBJRLCQ-UHFFFAOYSA-N 358.415 3.758 0 40 FHAB COc1cccc(C(=O)NCCSc2ncc(-c3ccccc3)[nH]2)c1 4315517 XXCWQDDXTWRWCG-UHFFFAOYSA-N 353.447 3.607 0 40 FHAB CCc1cccc(C)c1NC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 8684606 AHFFQKDYYDPBCG-WBVHZDCISA-N 367.518 3.535 0 40 FHAB biogenic CCOC(=O)c1oc2ccccc2c1NC(=O)c1cc(OC)ccc1OC 13972465 FALCOHQBSKXYEV-UHFFFAOYSA-N 369.373 3.879 0 40 FHAB O=C(Cc1ccc(F)cc1F)N1CC[C@H](Oc2ccc3ccccc3n2)C1 225739448 RLCNPUJIFUOMQK-KRWDZBQOSA-N 368.383 3.735 0 40 FHAB O=C(N1CC[C@@H](Oc2ccncn2)C1)C1(c2ccc(Cl)cc2)CCCC1 575611395 WUVKGVGVGKJIBJ-QGZVFWFLSA-N 371.868 3.622 0 40 FHAB CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 3881973 DBEPLOCGEIEOCV-MDKQREFKSA-N 372.553 3.815 0 40 FHAB biogenic,in-vitro C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cc2c([nH]c1=O)CCCCC2 78137798 NSKYTASMUARPSF-YOEHRIQHSA-N 368.452 3.801 0 40 FHAB CSc1ccc([C@H](O)CNC(=O)c2csc(-c3ccccc3)n2)cc1 96103132 ZXNIHICBHLZXBN-QGZVFWFLSA-N 370.499 3.995 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nnc(C(F)(F)F)[nH]1 104861935 FTVSJTVUVJVESL-YFKPBYRVSA-N 369.130 3.536 0 40 FHAB Cc1cc2cc(NC(=O)c3ccc(OCc4noc(C)n4)cc3)ccc2[nH]1 40081338 YLEOAYCSZZDSFW-UHFFFAOYSA-N 362.389 3.999 0 40 FHAB COc1cc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)ccc1O 40285854 HCXSWJQJDJSUIX-CQSZACIVSA-N 353.353 3.849 0 40 FHAB CC1=NN(c2ccc(C(=O)Nc3ccc4c(c3)OCCCO4)cc2)CC1 45769380 WNNLWAFHGUSEML-UHFFFAOYSA-N 351.406 3.686 0 40 FHAB COc1ccc(OCc2nnc(SCC(=O)c3ccc(C)cc3)o2)cc1 876135 HZADNFXMOBFSKS-UHFFFAOYSA-N 370.430 3.941 0 40 FHAB O=C(CSc1nc(CC2CCCC2)n[nH]1)N[C@@H]1CCCc2ccccc21 11500561 ZOTNIFLPIBCWGU-QGZVFWFLSA-N 370.522 3.823 0 40 FHAB O=C(Nc1cccc(CN2CCCC2=O)c1)c1csc(-c2ccco2)n1 29293003 AZPXHDKULPDLTH-UHFFFAOYSA-N 367.430 3.778 0 40 FHAB CCOC(=O)c1c(NC(=O)c2onc(C)c2Cl)sc(C(C)=O)c1C 6738152 ZPWSPCOOEGDHRW-UHFFFAOYSA-N 370.814 3.638 0 40 FHAB CCCn1nnnc1NCc1cc(Cl)ccc1OCc1ccccc1 7263354 NYNYVYVGOUYYMR-UHFFFAOYSA-N 357.845 3.928 0 40 FHAB CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 10315160 IZNRAGNFDNBFLZ-UHFFFAOYSA-N 360.479 3.586 0 40 FHAB Cc1cccc(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 10330807 LOPVLJFVRKGSHR-UHFFFAOYSA-N 374.506 3.697 0 40 FHAB Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccccc2)o1 8571653 KBEQGTBEHGSVJP-UHFFFAOYSA-N 355.419 3.688 0 40 FHAB CC(=O)Nc1cc(N[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)ccc1F 32771524 OIGBOYDHVJASRB-NSHDSACASA-N 359.401 3.615 0 40 FHAB O=C(NCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 9993985 VCCUMOCAJMNQCV-UHFFFAOYSA-N 360.413 3.776 0 40 FHAB Cc1ccnc(NC(=O)c2ccn(COc3ccc(Cl)c(C)c3)n2)c1 2795447 VWKTUGQXJDQYMB-UHFFFAOYSA-N 356.813 3.837 0 40 FHAB Cc1ccc(C(=O)Nc2ncn(Cc3cccc(C(F)(F)F)c3)n2)cc1 2795422 VHVGDTAFOWNXHT-UHFFFAOYSA-N 360.339 3.906 0 40 FHAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 24023698 SWSBOFKIAATFDQ-HNNXBMFYSA-N 370.424 3.858 0 40 FHAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1OC 23077431 JEWNGYHEFJRJDV-UHFFFAOYSA-N 372.812 3.580 0 40 FHAB Brc1ccc(Cc2nc3cc(-n4cnnc4)ccc3o2)cc1 57326811 PFVCCDXLVFEPSP-UHFFFAOYSA-N 355.195 3.762 0 40 FHAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N(C)CCOc1ccccc1Cl 23703135 TXEQXMBRGHSDNX-ZDUSSCGKSA-N 357.841 3.648 0 40 FHAB C[C@H](NCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1ccc(F)c(F)c1 23762647 ZWWQEZXLGBFIQA-VIFPVBQESA-N 361.417 3.602 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1cccc(OCCn2ccnc2)c1 42706267 DHJVTMCEZRQJMM-UHFFFAOYSA-N 371.824 3.876 0 40 FHAB Cc1cc(C)c(NC(=O)CNc2ccccc2N2CCCC2=O)c(C)c1 12554905 ITQQVYYYMKXBKQ-UHFFFAOYSA-N 351.450 3.789 0 40 FHAB CC(C)(C)C(=O)NCCC(=O)N1CCCc2cc(C(F)(F)F)ccc21 24473173 BRJBLOGPHPAZOU-UHFFFAOYSA-N 356.388 3.537 0 40 FHAB O=C(c1cc2sc3ccccc3c2s1)N1CCN(C(=O)C2CC2)CC1 25167703 NHJIBPUBTAJUIK-UHFFFAOYSA-N 370.499 3.810 0 40 FHAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1cnn2cccnc12 43510073 PXKRLVSGJDFMPK-UHFFFAOYSA-N 369.837 3.682 0 40 FHAB O[C@H](CN1CCN(c2nc3ccccc3s2)CC1)c1ccc(Cl)cc1 26441532 KCMCTUQIAHNAGF-QGZVFWFLSA-N 373.909 3.805 0 40 FHAB COc1ccc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cn1 48018843 DLLKZVFYHWHTDD-MRXNPFEDSA-N 369.421 3.621 0 40 FHAB Cc1ccc2nc(NC(=O)CCCn3c(=O)oc4ccccc43)sc2c1 3387888 HLHCUIRKMDHOEJ-UHFFFAOYSA-N 367.430 3.932 0 40 FHAB CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)C)cc1 3311502 CQTBGPMJSQAGCF-UHFFFAOYSA-N 354.406 3.564 0 40 FHAB CCOc1ccc(-c2nc(CSc3nnc(N)s3)cs2)cc1 3357186 HZAKRBNMGFJLJF-UHFFFAOYSA-N 350.494 3.935 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)[S@@](=O)Cc2c(Cl)cccc2Cl)no1 58292291 SRHKNRGFBGYFLU-PVBMHHQDSA-N 361.250 3.566 0 40 FHAB Cc1n[nH]c2c1[C@@H](c1cccc(Oc3ncccn3)c1)SCC(O)=N2 44918427 BFWQFMXQEFEVGB-OAHLLOKOSA-N 353.407 3.725 0 40 FHAB O=C(O)c1cc(F)c(F)cc1NS(=O)(=O)c1ccc2ccccc2c1 58330067 KRRGZAMITYAXSX-UHFFFAOYSA-N 363.341 3.617 0 40 FHAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1ccc(C(C)(C)C)cc1 12765582 AFOCEVFXEXJKPX-UHFFFAOYSA-N 355.463 3.554 0 40 FHAB CC(C)n1nc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)c2ccccc2c1=O 58408399 JQZLVLQPINSWGJ-CQSZACIVSA-N 367.424 3.950 0 40 FHAB O=S(=O)(Cc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 36393825 QDCBATGMMHCTHX-UHFFFAOYSA-N 359.230 3.739 0 40 FHAB O=C1c2ccccc2N[C@@H](c2cc3ccccc3[nH]c2=O)N1CC(F)(F)F 28511795 MQLQFPYUZHCTGD-MRXNPFEDSA-N 373.334 3.657 0 40 FHAB CC(=O)N[C@H](CC(=O)N(C)c1nc2ccccc2s1)c1cccs1 12923935 WLUKWQMVSZUDGS-CYBMUJFWSA-N 359.476 3.588 0 40 FHAB Cc1ccccc1[C@H](C)NC(=O)NCc1cccc(NC(=O)C2CC2)c1 12994273 JSXHXTZLYMOSMZ-HNNXBMFYSA-N 351.450 3.904 0 40 FHAB Cc1cc(C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)c(C)o1 3534433 MKONKOLMQIAXHB-UHFFFAOYSA-N 354.328 3.626 0 40 FHAB CCn1c(SCC(=O)NCc2ccc(F)cc2)nnc1-c1ccccc1 3501277 MZWJPKDEFMTBRY-UHFFFAOYSA-N 370.453 3.513 0 40 FHAB CNC(=O)c1ccc(/C=C/C(=O)Nc2cc(Cl)cc3cccnc23)cc1 13020418 HNDMPPZGOSQDKS-RMKNXTFCSA-N 365.820 3.900 0 40 FHAB COc1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)c(OC)c1 8323954 HITOWWSBWMMPGG-UHFFFAOYSA-N 360.498 3.622 0 40 FHAB COC(=O)c1ccc(/C=C2\CC(=O)N(c3ccc4ccccc4c3)C2=O)cc1 13681881 VTTFZRZPQFWKSH-XDHOZWIPSA-N 371.392 3.973 0 40 FHAB CC(=O)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@@H](c1ccccc1)N2 5149691 JBUSEZCASRHPEY-IRXDYDNUSA-N 351.385 3.522 0 40 FHAB Cc1noc(C)c1COc1ccc(CC(=O)NCc2ccccc2F)cc1 6260662 MWNQHGDBNMUVMR-UHFFFAOYSA-N 368.408 3.868 0 40 FHAB COc1ccc(NC(=O)c2cc3ccc(OC)cc3nc2C)c(OC)c1 8749623 BWFTWBLLGVMVGP-UHFFFAOYSA-N 352.390 3.821 0 40 FHAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccccc1C(F)(F)F 5345487 CMHIZZUJMOATIL-OAHLLOKOSA-N 366.339 3.611 0 40 FHAB Cc1cc(C)c(NC(=O)CN(C)Cc2ccc(O)c3ncccc23)c(C)c1 14111868 VUEHMNVTSKQVCX-UHFFFAOYSA-N 363.461 3.936 0 40 FHAB O=C(N[C@@H]1CCSc2ccccc21)C1=NN(c2ccccc2)C(=O)CC1 5425883 HDRSDSCXKSSBPN-MRXNPFEDSA-N 365.458 3.523 0 40 FHAB O=C(Cc1noc2ccccc12)N1CCC[C@H]1c1ccc2c(c1)OCCO2 14237678 MGQHREHJGLJUIF-KRWDZBQOSA-N 364.401 3.505 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc2[nH]c3ccccc3n12 6507615 PTAUMOALZGFJFH-UHFFFAOYSA-N 371.853 3.903 0 40 FHAB Nc1nc(SCc2nnc(C3CC3)o2)nc2sc3c(c12)CCCC3 69666703 RAIHGSYKSZXEOB-UHFFFAOYSA-N 359.480 3.705 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(Br)cc3)CC2=O)cc1 4610671 YYTGQOZPBSOWTC-CYBMUJFWSA-N 374.234 3.716 0 40 FHAB COc1ccc(Cc2nnc3sc(-c4ccc(N(C)C)cc4)nn23)cc1 6669679 JTFBJABNAGPEPP-UHFFFAOYSA-N 365.462 3.518 0 40 FHAB COc1ccc(-n2nnc(C(=O)Nc3ccc(C)c(Cl)c3)c2C)cc1 6816148 JGEVRICCLJFBER-UHFFFAOYSA-N 356.813 3.798 0 40 FHAB Clc1cccc(-n2c(SC[C@H]3CCCO3)nnc2N2CCCC2)c1 6994782 MFHFVFFFGNWDLY-OAHLLOKOSA-N 364.902 3.792 0 40 FHAB O=C(NCc1ccoc1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 67065389 LOUSFGXHZYRSOD-OAHLLOKOSA-N 355.221 3.870 0 40 FHAB CCc1ccc(-n2cc(C(=O)NCc3ccc(F)c(Cl)c3)nn2)cc1 67262105 SODWRYZJPUOLBE-UHFFFAOYSA-N 358.804 3.552 0 40 FHAB CCOc1ccc(C(=O)Nc2nn(-c3ccccc3Cl)cc2C)cn1 92646877 NKJKNLDENKSPPC-UHFFFAOYSA-N 356.813 3.880 0 40 FHAB O=C(c1ccc2[nH]cnc2c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 15940984 SLFMTTQWOFIEIN-UHFFFAOYSA-N 374.366 3.544 0 40 FHAB O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cnccn1 9514956 KQRHIHHVAVQYIU-UHFFFAOYSA-N 364.352 3.795 0 40 FHAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1nc2ccc(F)cn2n1 72307963 FRZCMFGHVPNBII-QHHAFSJGSA-N 351.168 3.827 0 40 FHAB Cn1cc(-c2nc(C(=O)Nc3ccccc3N3CCCCC3)cs2)cn1 84318822 TYXCTBKFBAUFCU-UHFFFAOYSA-N 367.478 3.786 0 40 FHAB Cc1cccc(C(=O)NCC(C)(C)CN(C)C(=O)c2cccc(C)c2)c1 76094601 JGNXTCGMTRBYHF-UHFFFAOYSA-N 352.478 3.832 0 40 FHAB COc1cc([C@@H]2CC(c3cccc(C)c3)=NN2C(C)=O)cc(OC)c1OC 95115887 YNVXQYIHDODGJM-SFHVURJKSA-N 368.433 3.718 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCCN1CCCC[C@H]1CC 20110147 IFJFHGQVMURPJP-YLJYHZDGSA-N 362.514 3.623 0 40 FHAB CN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1ccccc1 78579141 XEDMNAORRWBADB-UHFFFAOYSA-N 359.476 3.690 0 40 FHAB Cc1ncsc1/C=C1\CCc2cc(OC(C)(C)C(=O)O)ccc2C1=O 78694123 ULZRVEONRIJTLZ-UKTHLTGXSA-N 357.431 3.906 0 40 FHAB CN(C)c1cccc(C(=O)NCc2ccccc2CN2CCCCC2)c1 9931965 TYIPYUDZXMEJHH-UHFFFAOYSA-N 351.494 3.669 0 40 FHAB Cc1cc(C)n(-c2cncc(N[C@@H]3CCCC[C@@H]3OC3CCCC3)n2)n1 89595894 JYOVJNOIRGKLQG-MSOLQXFVSA-N 355.486 3.961 0 40 FHAB COc1ccc(-c2ccc(OC(=O)c3cccc(C)c3)nn2)cc1OC 408527235 BLPIZZQRLWKSCX-UHFFFAOYSA-N 350.374 3.688 0 40 FHAB Cc1ccc(C(=O)CSc2nnnn2-c2cccc(C)c2C)c(C)c1 27429369 IYJHOAHHUJDPCX-UHFFFAOYSA-N 352.463 3.871 0 40 FHAB CCCOC(C(=O)OC1CCNCC1)(c1ccccc1)c1ccccc1 35813873 FMRVAGKPRZLTRG-UHFFFAOYSA-N 353.462 3.652 0 40 FHAB in-vitro COc1cc(CNC(=O)CCc2ccccc2)ccc1OC[C@H]1CCCO1 32930352 CIBAJDGGWNBXRD-LJQANCHMSA-N 369.461 3.502 0 40 FHAB CC(C)(CNC(=O)c1cccc(-n2cncn2)c1)c1ccc(Cl)cc1 524519402 NSNFGPNUNDPNDW-UHFFFAOYSA-N 354.841 3.628 0 40 FHAB O=C(Cc1ccccn1)N1CCC[C@@H]1c1cccc(Cc2ccccc2)n1 72357933 CRRIMMLPTXHHGS-JOCHJYFZSA-N 357.457 3.974 0 40 FHAB CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 32627747 ZQZOUOSZRWENPU-UHFFFAOYSA-N 366.870 3.623 0 40 FHAB COc1ncc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1C 72217759 KSFVWRLXPCSVJM-GOSISDBHSA-N 360.479 3.623 0 40 FHAB CSc1ncc(CN2C[C@H]3CCC[C@@](O)(c4ccc(C)cc4)[C@H]3C2)cn1 72340461 KNBCWMOYTUBDJR-SLYNCCJLSA-N 369.534 3.627 0 40 FHAB CCOc1cc(C=O)cc(Br)c1OCc1c(C)noc1C 32617189 XBARUSMMMYRZJT-UHFFFAOYSA-N 354.200 3.844 0 40 FHAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCOCC)nc1 225907171 USKQYVDYRGGSPN-IBGZPJMESA-N 352.475 3.811 0 40 FHAB Cc1cccc(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)c1 225594828 QFJAPCMQCMIAJZ-QGZVFWFLSA-N 370.468 3.619 0 40 FHAB CC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccco1)c1ccccc1 223335402 TVSYKHGHZAJFMP-NRFANRHFSA-N 362.429 3.686 0 40 FHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 225010616 ATXRRXJQVMSPDE-DLBZAZTESA-N 370.468 3.700 0 40 FHAB Cc1ccc(CSCCNC(=S)Nc2ccc3c(c2)OCO3)cc1 225292636 SNBNPYYPGSMVDD-UHFFFAOYSA-N 360.504 3.944 0 40 FHAB Cc1ccc(C2(C(=O)Nc3ccc(OCC(N)=O)cc3)CCCCC2)cc1 225542054 JLSZEGWTKVVJLR-UHFFFAOYSA-N 366.461 3.700 0 40 FHAB Cc1ccc(NC(=S)NCCCc2ccco2)cc1N1CCCC1=O 225805619 HWJHRKPCOUIQCT-UHFFFAOYSA-N 357.479 3.634 0 40 FHAB O=C(CCCc1ccc2c(c1)OCCO2)NCCc1ccc(Cl)cc1 224944811 SFUWKKXBJLBESA-UHFFFAOYSA-N 359.853 3.793 0 40 FHAB Cc1cc(S(=O)(=O)NCCOc2cccc3ccccc23)ccc1F 223579022 UUFYUMXGVVZUOV-UHFFFAOYSA-N 359.422 3.645 0 40 FHAB C[C@H](NC(=O)Cn1ccc(=O)c2cc(Cl)ccc21)c1ccc(F)cc1 225725780 FRTOHQRJMHTQHP-LBPRGKRZSA-N 358.800 3.671 0 40 FHAB CCOc1ccc(CCCNC(=O)C2(c3ccccc3)CCOCC2)cc1 223186870 LNSMYBBDSHGGBX-UHFFFAOYSA-N 367.489 3.883 0 40 FHAB Cc1ccc(CN2CCC[C@@]23CCCN(C(=O)CCc2cccnc2)C3)o1 96214591 LUSLUNMMPSDTOX-JOCHJYFZSA-N 367.493 3.573 0 40 FHAB O=c1[nH]n(C2CCCCC2)c2c1[C@@H](c1ccc(O)cc1)SCC(O)=N2 95475949 GWVBEVDHCXITCK-MRXNPFEDSA-N 359.451 3.811 0 40 FHAB COc1ccccc1CN1Cc2cccn2[C@@H](COCc2ccccn2)C1 248131352 KMYTXKBHPOMDNQ-OAQYLSRUSA-N 363.461 3.665 0 40 FHAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)C1CCN(Cc2c(F)cccc2Cl)CC1 250785466 MCWFQUWSFATRBT-RFUYNDQBSA-N 364.892 3.996 0 40 FHAB Cc1cccnc1Nc1cc([C@H]2CCCN(Cc3cncn3C)C2)ccn1 257217436 CYXLNWKSXJWMLP-SFHVURJKSA-N 362.481 3.642 0 40 FHAB Cn1cc(CCC(=O)N2CC[C@]3(C)NCCCCC[C@H]23)c2ccccc21 257260325 LCIHGERBYWEMGR-UNMCSNQZSA-N 353.510 3.634 0 40 FHAB Cc1cccc(CN2[C@H](c3ccc(F)cc3)C[C@H]3NC(=O)CCCC[C@@H]32)n1 257277715 NZCNNRYNKGVTDS-HKBOAZHASA-N 367.468 3.904 0 40 FHAB O=C(c1n[nH]c2ccccc12)N1C[C@H]2[C@@H](Oc3cccc(F)c3)CC[C@H]2C1 257340755 ZHKAFUSDAUWXHA-IRWQIABSSA-N 365.408 3.632 0 40 FHAB COc1ccc2c(ccn2CC(=O)N(Cc2ccc(C)nc2)CC2CC2)c1 648527825 IAQULIZMHHQYKE-UHFFFAOYSA-N 363.461 3.792 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)N1CCC(CSc2ccccn2)CC1 90608062 ADPUUZYCIZFBNC-UHFFFAOYSA-N 371.462 3.847 0 40 FHAB CSCc1cccnc1C(=O)Nc1ccc(O[C@H]2CC2(F)F)cc1 598398603 KUYZYCSRNYTKEN-AWEZNQCLSA-N 350.390 3.983 0 40 FHAB CCN(CC)CC[C@@]1(C(N)=O)Cc2ccccc2N(CC)c2ccccc21 5389808 JHDLOPHYLHYSIX-HSZRJFAPSA-N 365.521 3.856 0 40 FHAB CCCCOC(=O)c1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)cc1 5465965 WXAKDUJEVHGYDZ-UHFFFAOYSA-N 371.433 3.842 0 40 FHAB CCSc1nnc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)s1 5567146 IQGZRTZFXZJUHD-UHFFFAOYSA-N 369.581 3.827 0 40 FHAB CSc1ncccc1C(=O)OCC(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(C)C 12587043 KPWKBAPGCGFDIN-FMKPAKJESA-N 365.495 3.964 0 40 FHAB Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)[C@H]3C[C@H]3C)cc2)n1 13228123 ATSJTEWTVOZJLF-KDOFPFPSSA-N 358.445 3.786 0 40 FHAB Cc1cccc(NC(=O)NC2(C(=O)NCc3ccco3)CCCCC2)c1 15935669 XTYYFNRGCDOVRD-UHFFFAOYSA-N 355.438 3.729 0 40 FHAB O=C(O)/C=C\C(=O)Nc1ccc2c(c1)Cc1cc(Br)ccc1-2 17311955 WPHKDSMPONFTIF-WAYWQWQTSA-N 358.191 3.600 0 40 FHAB COc1cc2cc(N)c([C@H]3CCCN(C(=O)C(C)(C)C)C3)nc2cc1OC 19081181 JRQUAGKEGAJJCK-ZDUSSCGKSA-N 371.481 3.586 0 40 FHAB O=C(Cn1ccnc1)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 19292632 WXQJGBLVYSRDEM-UHFFFAOYSA-N 367.261 3.876 0 40 FHAB COc1cccc(CN2CCC[C@@H]2c2nc(O)cc(-c3cccnc3)n2)c1 19565186 KVHZVXXJENCAGX-LJQANCHMSA-N 362.433 3.590 0 40 FHAB CNC1CCC2(CC1)CN(C(=O)Cc1ccccc1)Cc1ccccc1O2 19592000 CWSBKZACDALVOX-UHFFFAOYSA-N 364.489 3.551 0 40 FHAB COc1ccc2c(c1)[C@H](NC(=O)c1cnn(-c3ccccc3C)c1)CCC2 1266821283 DUWZMSKFZGRKSU-HXUWFJFHSA-N 361.445 3.997 0 40 FHAB O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)[C@H]1CC=CCC1 10499578 IJOXJGCBIGFBLH-INIZCTEOSA-N 369.490 3.942 0 40 FHAB Cc1cnccc1O[C@H]1CCN(c2ncc(Cl)cc2Br)C1 1888922031 NNYJSKZQVJBPQW-LBPRGKRZSA-N 368.662 3.859 0 40 FHAB Cc1nc2cc(NC(=O)c3ccc(OC4CCOCC4)nc3)ccc2s1 244986204 JKHCRBPFNVOYCT-UHFFFAOYSA-N 369.446 3.810 0 40 FHAB CCOC(=O)c1oc2ccc(Cl)cc2c1NC(=O)CN1CCCCC1 4170589 ATWIWZAKFULVFS-UHFFFAOYSA-N 364.829 3.687 0 40 FHAB O=C(NCCc1ccccc1)N1CCn2cccc2[C@H]1c1ccc(F)cc1 5256043 OYZPHNOJVOFFPC-OAQYLSRUSA-N 363.436 3.985 0 40 FHAB CCc1ccc(C(=O)NCCCCN2CCO[C@@H](c3ccccc3)C2)cc1 36700047 LNQFBIXSNAAGGR-JOCHJYFZSA-N 366.505 3.833 0 40 FHAB Cc1ccc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)cc1C(=O)O 40089952 UWJKXCNOLVQJBS-UHFFFAOYSA-N 371.414 3.682 0 40 FHAB O=C1c2ccccc2N[C@@H](c2c[nH]nc2-c2cccnc2)N1Cc1ccco1 11036120 PLFUOQBXZJIULN-HXUWFJFHSA-N 371.400 3.831 0 40 FHAB COC(=O)c1cc(-c2cc(Br)cc(Br)c2)on1 1857793974 IWAFKEIDIDIIPM-UHFFFAOYSA-N 360.989 3.653 0 40 FHAB C[C@@H](Oc1ccc(F)cc1)C(=O)O[C@H](C)C(=O)c1c[nH]c2ccccc12 7232902 YGBBDVUCJHJWHD-CHWSQXEVSA-N 355.365 3.889 0 40 FHAB O=C(CCOc1ccccc1)Nc1cccc(I)c1 7264838 VBQXKESHNGSAFP-UHFFFAOYSA-N 367.186 3.699 0 40 FHAB CC(C)CNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 918380 RNUQENUHJOQDHY-GXFFZTMASA-N 356.348 3.522 0 40 FHAB O=C(Cc1ccc(Br)cc1)NCc1ccc(OC(F)F)cc1 11511471 GWNJESKQHFXTDV-UHFFFAOYSA-N 370.193 3.909 0 40 FHAB C[C@H]1CCc2sc(C(=O)NC3CCN(C(=O)c4ccco4)CC3)cc2C1 11555615 ZJJACPDMTDSSAE-ZDUSSCGKSA-N 372.490 3.501 0 40 FHAB CC(=O)Oc1cc(C)c(Cl)c2c(OC(C)=O)cc(C(C)=O)c(O)c12 1572735 HANOIYLTPPNCIR-UHFFFAOYSA-N 350.754 3.560 0 40 FHAB CC(C)c1ccc2c(c1)CCCN2C(=O)C[C@H](NC(N)=O)c1cccs1 59896988 LHRJOGBMRGSTCT-INIZCTEOSA-N 371.506 3.950 0 40 FHAB Cc1ccc(CN2C(=O)C(C)(C)Oc3ccc(C(=O)NC4CC4)cc32)cc1 4965787 GJBOLQONJLLQOF-UHFFFAOYSA-N 364.445 3.591 0 40 FHAB Cc1cc2c(cc(C(=O)O[C@@H](C(=O)NC3CCCC3)C(C)C)n2C)s1 4967145 CDOCZAKIGAPIFK-QGZVFWFLSA-N 362.495 3.788 0 40 FHAB CCOC(=O)c1c(NC(=O)CN2CCCc3ccccc32)sc(C)c1C 6319033 HLKLYVVKSAXRFE-UHFFFAOYSA-N 372.490 3.933 0 40 FHAB O=C(c1csc(-c2ccc(F)cc2)n1)N1CCN(c2ccccc2)CC1 7367748 HYROKWQGYYUFQP-UHFFFAOYSA-N 367.449 3.912 0 40 FHAB Cc1cccc(N2CCN([C@@H](c3nnnn3C(C)(C)C)C(C)C)CC2)c1C 57669692 OXMUYDMVFVWFMZ-LJQANCHMSA-N 370.545 3.564 0 40 FHAB C[C@H](OC(=O)c1cc[nH]n1)C(=O)N1c2ccccc2Sc2ccccc21 46350349 JZJFUESPIQIWDE-LBPRGKRZSA-N 365.414 3.785 0 40 FHAB Cc1ccc(CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1 8892043 GCKOHECJJWSCQQ-IBGZPJMESA-N 360.360 3.564 0 40 FHAB CC(C)NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 2653314 SMJTUPMUWWLLKR-UHFFFAOYSA-N 354.431 3.645 0 40 FHAB CCN(CC)CCCNC(=O)c1c(-c2c(F)cccc2Cl)noc1C 2626501 XWSKCZPEYSQZIC-UHFFFAOYSA-N 367.852 3.904 0 40 FHAB Cc1cccc(NC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1 17744098 KPVUZPVHEFTTQE-UHFFFAOYSA-N 353.470 3.571 0 40 FHAB CC(C)OC[C@H]1CCC[C@]12CN(C(=O)c1cccc(Cl)c1)CCO2 107194633 JRDUKBKEKRCMFK-APWZRJJASA-N 351.874 3.776 0 40 FHAB CCC(CC)[C@@H](CNC(=O)c1ccc(Cl)cc1Cl)N1CCOCC1 22755241 JWZQFBHGFZKQNR-QGZVFWFLSA-N 373.324 3.860 0 40 FHAB C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCc2sccc2C1 12214740 BYHBGWQTUOEYLH-NSHDSACASA-N 366.280 3.863 0 40 FHAB COc1ccc2cc(C(=O)Nc3ccc(F)cc3)sc(=O)c2c1OC 936053 FYJHMCRXPHNFQS-UHFFFAOYSA-N 359.378 3.670 0 40 FHAB O=C(CSc1nnc2ccc3ccccc3n12)Nc1ccc(F)cc1 937462 UIDOGOGRYJUVHG-UHFFFAOYSA-N 352.394 3.752 0 40 FHAB Cc1noc(C)c1CC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 56224033 KLYLVVJHHQDUIZ-UHFFFAOYSA-N 355.438 3.535 0 40 FHAB CC(=O)c1c(C)cc(C)c(COC(=O)c2ccccc2S(C)(=O)=O)c1C 24162946 JCUALYACZALHPX-UHFFFAOYSA-N 374.458 3.575 0 40 FHAB Cc1c(C)n(C[C@H](O)CN2CCc3ccccc3C2)c2ccc(F)cc12 12422011 OHVXYJFAJZYCHN-HXUWFJFHSA-N 352.453 3.816 0 40 FHAB COCCCN1COc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2C1 12442562 ORJBNGHVVROKMG-UHFFFAOYSA-N 365.429 3.957 0 40 FHAB biogenic COc1cc(-n2nnnc2-c2c(F)cccc2F)c(Cl)cc1Cl 1392315 XNSOWXFDLBNDLE-UHFFFAOYSA-N 357.147 3.923 0 40 FHAB FC(F)(F)c1nnc2ccc(Nc3ccc(N4CCCCC4)cc3)nn12 12516051 LOWDABKQUVIQLL-UHFFFAOYSA-N 362.359 3.877 0 40 FHAB C[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(-n2ccnc2)cc1 12506901 BXGSDLJOTQBSHJ-AWEZNQCLSA-N 355.825 3.782 0 40 FHAB COc1ccc([C@@H](C)NC(=O)Nc2ccn(-c3ccccc3)n2)c(OC)c1 43621402 PSVVJYBYTMUWHF-CQSZACIVSA-N 366.421 3.772 0 40 FHAB C[C@H](NC(=O)CN1CCCc2cc(F)cc(F)c21)c1ccc(F)cc1F 26726053 CCGLBGPGGNNZHL-NSHDSACASA-N 366.358 3.873 0 40 FHAB CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3cccc4ncccc34)ccc21 26984340 DJAOHZSENHCNHW-CQSZACIVSA-N 374.444 3.583 0 40 FHAB CCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OCC)cc1)C2=O 2079012 NIYWJDNTFNWASI-UHFFFAOYSA-N 367.401 3.843 0 40 FHAB CSCc1ccc(C(=O)N2CCC[C@@H]2c2nnc3ccccn23)cc1 29073803 YXUUGEMWIMSCQY-MRXNPFEDSA-N 352.463 3.570 0 40 FHAB CC(=O)Nc1ccc(Cl)cc1NC(=O)COc1ccc(F)cc1F 58190688 HLNNXZQMTYRBCA-UHFFFAOYSA-N 354.740 3.594 0 40 FHAB Cn1cnnc1-c1ccc(NC(=O)N2CCC[C@H]2c2ccsc2)cc1 58146057 KHPRQMDZVGZNJS-INIZCTEOSA-N 353.451 3.913 0 40 FHAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(OC(C)C)s2)cc1OC 58203384 OXWOJGFSZGNUQA-SNVBAGLBSA-N 368.480 3.706 0 40 FHAB Cc1nccc(C(=O)Nc2c(-c3ccc(F)cc3)nc3sccn23)n1 58378141 VXHANENAHZVODI-UHFFFAOYSA-N 353.382 3.553 0 40 FHAB O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1cnc2ccccc2n1 10867633 CVLOSTPKSRCZSV-UHFFFAOYSA-N 358.357 3.727 0 40 FHAB O=S(=O)(c1ccc(SCc2ccccc2Cl)nc1)N1CCCC1 16048625 IYZNODDPFAQOJD-UHFFFAOYSA-N 368.911 3.812 0 40 FHAB COC(=O)CSCc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 12852245 XGECRBWMOMUFIX-UHFFFAOYSA-N 370.883 3.887 0 40 FHAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3cc(-c4cccs4)on3)C2=O)cc1 12867827 LPYCARMUUGCXMM-LJQANCHMSA-N 367.430 3.679 0 40 FHAB CCOC(=O)C1=C(C)N(C)C(=S)N(C)[C@@H]1c1ccccc1C(F)(F)F 3418602 SMCVRNDUTBKXCG-CQSZACIVSA-N 372.412 3.746 0 40 FHAB CCCOc1ccc(OCCSc2nc(CC(=O)O)cs2)cc1 12925175 RHXJQWVKJGKNMN-UHFFFAOYSA-N 353.465 3.730 0 40 FHAB CCCC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3CCCO3)n2)cc1 7990665 RMAZKGMCSHNBAS-HNNXBMFYSA-N 359.451 3.666 0 40 FHAB O=C(Nc1nc2ccccc2s1)[C@H]1CS[C@@H]2c3ccccc3C(=O)N12 13549870 KVFQBGIKULVNFF-CXAGYDPISA-N 367.455 3.505 0 40 FHAB O=C(COc1ccc(Cl)c2cccnc12)Nc1ccc2c(c1)OCO2 7981274 HWNJBJDWNHZWEB-UHFFFAOYSA-N 356.765 3.634 0 40 FHAB CC[C@@H]1CCCCN1C(=O)CSc1nnc2c(Cl)cc(Cl)cn12 6099524 PRIMJHNEODMGHK-LLVKDONJSA-N 373.309 3.919 0 40 FHAB C[C@@H](OC(=O)c1ccc2ccccc2c1O)C(=O)N1CCc2ccccc21 5039373 KDETYABXEVMDSS-CQSZACIVSA-N 361.397 3.680 0 40 FHAB Cc1ccc2nc(CSc3nnc(Cc4csc(C)n4)o3)cn2c1 39574439 WPRWKXSZXVDHRP-UHFFFAOYSA-N 357.464 3.674 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccc2c(c1)OCCO2 5118885 ZCGUULKNMOPVMS-NSHDSACASA-N 362.813 3.559 0 40 FHAB O[C@@H](CNc1nccc(C(F)(F)F)n1)c1ccccc1C(F)(F)F 68998258 OZSDTEKDNHNWDW-JTQLQIEISA-N 351.250 3.660 0 40 FHAB O=C(COC(=O)c1cccc(Br)c1)Nc1ccc(F)cc1F 6383706 ADEDATZBIPVMBJ-UHFFFAOYSA-N 370.149 3.523 0 40 FHAB CC(=O)Oc1cc(NC(=O)c2ccco2)ccc1NC(=O)c1ccccc1 8188589 XXOTYUQUOONIKT-UHFFFAOYSA-N 364.357 3.710 0 40 FHAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)c2ccc(Cl)cc2Cl)C[C@@H](C)O1 65564525 VNIYBCRUVVZKRS-GUTXKFCHSA-N 371.308 3.707 0 40 FHAB CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2cccc(OC)c2)C1=O 5305638 IQQTVJATXDVYAQ-OAQYLSRUSA-N 370.424 3.972 0 40 FHAB Cc1c(Cl)cccc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 20046698 JEBAKIKVAXTTCN-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1nc2ccccc2s1 14167524 DKHHZUIJOUQJKE-CQSZACIVSA-N 355.444 3.738 0 40 FHAB COc1ccc(S[C@H](C)C(=O)N2CCN(c3ccccc3F)CC2)cc1 20108975 LWUCWPPGIUCPFI-OAHLLOKOSA-N 374.481 3.664 0 40 FHAB COc1ccc2c(c1)c1nc3n(c(=O)c1n2Cc1ccccc1)CCS3 5451111 PVGAIAPXKOUHFD-UHFFFAOYSA-N 363.442 3.514 0 40 FHAB COc1ccc(-c2noc(CCC(=O)Nc3ccc(Cl)cc3)n2)cc1 5562074 LROIIPJAKYARPC-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB Cc1c(CCC(=O)NCc2ccccc2Cl)c(=O)oc2cc(O)ccc12 4743275 LEPCKYBITXFAGO-UHFFFAOYSA-N 371.820 3.709 0 40 FHAB CC(C)Cn1nc(C(=O)Nc2ccc(F)cc2F)c2ccccc2c1=O 5676263 JFVHNSDRROIXIY-UHFFFAOYSA-N 357.360 3.583 0 40 FHAB CC(C)n1nc(C(=O)NCc2cccc(Cl)c2)c2ccccc2c1=O 5679237 BTRUAWLOLYWCMR-UHFFFAOYSA-N 355.825 3.561 0 40 FHAB Cc1ccc(C)c(Cn2nnc(C(=O)Nc3cc(Cl)ccc3C)c2N)c1 4852597 QNJHOVKNLCTART-UHFFFAOYSA-N 369.856 3.740 0 40 FHAB O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1 8393683 ITMPBSPULDBYFR-UHFFFAOYSA-N 373.456 3.968 0 40 FHAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@H]1C[C@H]1c1cccc(F)c1 67033502 ZSUMHFBTTLBLAM-OALUTQOASA-N 352.409 3.804 0 40 FHAB C[C@@H]1CN(c2ccc(NC(=O)c3sccc3C3CC3)cn2)C[C@@H](C)O1 67166601 ABAIQGSYCDUXKQ-CHWSQXEVSA-N 357.479 3.886 0 40 FHAB C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1CCc2ccccc21 8649968 SVXJZYMLEODXBM-OAHLLOKOSA-N 362.429 3.622 0 40 FHAB CCN1CCN(c2ccc(NC(=O)c3ccc(OC)c(F)c3)cc2C)CC1 9368840 KATOOPWLPXCZQG-UHFFFAOYSA-N 371.456 3.537 0 40 FHAB Cc1cc(CSc2nnc(CN3CCCCC3)n2-c2ccccc2)on1 9546927 RZPHGYUZYIIVFY-UHFFFAOYSA-N 369.494 3.842 0 40 FHAB CC(=O)c1cccc(NC(=O)COC(=O)c2occc2-c2ccccc2)c1 9533128 KVHXVVISWKICLF-UHFFFAOYSA-N 363.369 3.945 0 40 FHAB COc1cccc(S(=O)(=O)c2cnc3ccc(OC)cc3c2Cl)c1 72329808 PZFAQUBSAODGSE-UHFFFAOYSA-N 363.822 3.738 0 40 FHAB Cn1c(=O)oc2cc(NC(=O)c3cc(-c4cccc(Cl)c4)no3)ccc21 84311219 GUHUTPXHVUAHOL-UHFFFAOYSA-N 369.764 3.692 0 40 FHAB C[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc(Oc2ccccc2)c(F)c1 84647981 YVYNOJPBKPCKEU-CYBMUJFWSA-N 352.365 3.797 0 40 FHAB Cc1ccc(N(C)S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)O)c2)cc1 78726078 BKSSAAUIYXTJCY-UHFFFAOYSA-N 374.245 3.825 0 40 FHAB CCN(CC)c1ccc(C(=O)N[C@H](c2ccccc2)C(F)(F)F)cn1 84774492 WJQHSNVZGKWQBD-MRXNPFEDSA-N 351.372 3.961 0 40 FHAB Cc1ccc(-c2nc(CC(=O)N3CC[C@@H](C(C)(C)C)[C@@H](O)C3)cs2)o1 95464979 BRNCFUSBNAJOPV-CABCVRRESA-N 362.495 3.510 0 40 FHAB Cc1cc(OCC(=O)O)ccc1NC(=O)C1(c2ccc(Cl)cc2)CC1 95425252 OWLNOJZRMUURSF-UHFFFAOYSA-N 359.809 3.782 0 40 FHAB Cc1ccc(NC(=O)N2C[C@H](CO)CC[C@H]2C)c(OCC(F)(F)F)c1 95431766 SRHNKIBEVDWKPO-CHWSQXEVSA-N 360.376 3.561 0 40 FHAB CC(C)n1c([C@H]2CCCN2c2cc(-n3ccnc3)ncn2)nc2ccccc21 79048012 BYYGNLMUCPRPSM-GOSISDBHSA-N 373.464 3.934 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc(F)cc2C(F)(F)F)cc1C 79061445 CMADPOFSVWLGGE-UHFFFAOYSA-N 363.332 3.962 0 40 FHAB COCCOc1ccccc1C(=O)Nc1cc(C)nn1-c1ccccc1C 95947519 PYGRUJPSGRXJMQ-UHFFFAOYSA-N 365.433 3.767 0 40 FHAB Cc1ccc2c(ccn2CCC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c1 79189811 VUEMIHAOTMCHIH-VQTJNVASSA-N 353.510 3.721 0 40 FHAB biogenic CC(C)CCNC(=O)[C@H](C)Sc1nc(O)c2ccc(Cl)cc2n1 74784184 PFGNIJPXXRSNIV-JTQLQIEISA-N 353.875 3.632 0 40 FHAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=S)NC(=O)C(C)(C)C 408626384 GXBFEIILWWKYFT-UHFFFAOYSA-N 367.478 3.588 0 40 FHAB Fc1ccc(-c2nc3sc4ccccc4n3c2CN2CCNCC2)cc1 22465068 JYZACLHTBPWMNJ-UHFFFAOYSA-N 366.465 3.760 0 40 FHAB COC(=O)CCCNC(=O)/C=C/c1ccc(OCc2ccc(C)cc2)cc1 62715065 ZRIASANYWGVSSX-SDNWHVSQSA-N 367.445 3.657 0 40 FHAB Cc1ccc(C(=O)CCC(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1C 32747915 WHTCQKMVLNWLSM-GOSISDBHSA-N 367.445 3.565 0 40 FHAB CCn1c(COc2ccccc2F)nnc1SCC(=O)c1ccccc1 409385922 OMORQKPWOMFHBB-UHFFFAOYSA-N 371.437 3.991 0 40 FHAB Cc1ccc(CN2CCC(C(=O)NCCCN3CCCCCC3)CC2)cc1 39755012 HPNUDTXPWNWAEX-UHFFFAOYSA-N 371.569 3.589 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(Cl)nc2)cc1 72211481 YKGUESOMQZYUGH-MRXNPFEDSA-N 350.871 3.959 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 218974831 LYTLXSFGWBAYEL-MRXNPFEDSA-N 365.433 3.779 0 40 FHAB Cc1ccc(-c2nc3cc(N4C[C@H](C(=O)O)CC4=O)ccc3o2)cc1C 70461270 OOMMXLYELBYYHV-CQSZACIVSA-N 350.374 3.549 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C 223150387 XJTJKJDRTKETCU-LJQANCHMSA-N 372.896 3.744 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 222995442 XNFODAMEXIPUPA-LJQANCHMSA-N 372.896 3.744 0 40 FHAB CC1CCN(CCCNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)CC1 224862174 XXEVKVUQKXWEQX-GOSISDBHSA-N 358.526 3.571 0 40 FHAB CCOc1cnc(-c2noc([C@@H]3CC(C)(C)Oc4ccccc43)n2)cn1 573704342 XKGIRYDRKXNQAO-CYBMUJFWSA-N 352.394 3.618 0 40 FHAB O=C(C[C@H]1CCC[C@@H](C(=O)O)C1)c1cccc(I)c1 43879478 QWMNFTRKCUFPLU-CMPLNLGQSA-N 372.202 3.755 0 40 FHAB Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)Nc4ccccc4)C3)C2)n1 96216190 RGENNEYTZHUQDU-JOCHJYFZSA-N 364.493 3.910 0 40 FHAB COc1cccc([C@H](N)c2nc(COc3ccc(C(C)(C)C)cc3)n[nH]2)c1 95533611 VOVXLRXWHDFJSN-IBGZPJMESA-N 366.465 3.738 0 40 FHAB CN(C)c1ncc(-c2cccc(C(F)(F)F)c2)c([C@@H]2CCCNC2)n1 257207625 BINRWFNOTWHGIG-CYBMUJFWSA-N 350.388 3.695 0 40 FHAB Cc1ncc(CN2CCC[C@H](c3ccc(-c4c(C)noc4C)cn3)C2)cn1 257315930 VDILITZBAZYYAD-IBGZPJMESA-N 363.465 3.831 0 40 FHAB Cc1nccc(C(=O)N2CCC[C@@H]2c2ccnc(Nc3ncccc3C)c2)n1 257303988 SJPRGEZEPFXJTN-GOSISDBHSA-N 374.448 3.604 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 255167600 AJBUOJCFCCXRIV-NXHRZFHOSA-N 360.498 3.817 0 40 FHAB NC(=O)c1sc2ncccc2c1C1CCN(Cc2ccccc2F)CC1 257304444 SLQWLHMAQHVEDQ-UHFFFAOYSA-N 369.465 3.914 0 40 FHAB CC1(C)Oc2ccccc2[C@H]2OCC3(C[C@@H]21)CN(Cc1cccnc1)C3 257263777 LRJSHOFMKMEVOQ-AZUAARDMSA-N 350.462 3.832 0 40 FHAB C[C@H](NC(=O)N[C@@H]1CCCc2ccc(Cl)cc21)c1nnc2n1CCCC2 623774101 PEWHKUCCHHNUFW-BLLLJJGKSA-N 373.888 3.706 0 40 FHAB O=C(NCC[C@H](O)c1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1 90612519 MENLQZUVNQTGMB-AWEZNQCLSA-N 368.216 3.576 0 40 FHAB O=C(O)c1cccc(CN2CCC[C@@H]2c2nccc(C(F)(F)F)n2)c1 656761986 YFNMETCUBUHCAW-CYBMUJFWSA-N 351.328 3.531 0 40 FHAB CCN1C(=O)CC[C@@H](C(=O)NCc2ccccc2)[C@@H]1c1ccccc1Cl 585168411 HOPGMWISCCSLCW-XLIONFOSSA-N 370.880 3.956 0 40 FHAB CC1CCN([C@@H](CNS(=O)(=O)Cc2ccccc2)c2ccccc2)CC1 48309547 ZBVKBPGMMHDCFO-NRFANRHFSA-N 372.534 3.579 0 40 FHAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)Nc1cn[nH]c1 57029230 VDIHGHXDMJHRMF-UHFFFAOYSA-N 372.860 3.589 0 40 FHAB O=C(CN1C(=O)[C@@H]2CCCC2=Nc2ccccc21)Nc1c(F)cccc1F 101320575 DAXDQGGZFSMXIR-GFCCVEGCSA-N 369.371 3.823 0 40 FHAB CN(C)c1cccc(C(=O)N/C=C/n2cnc3cc(C(F)(F)F)ccc32)c1 3195474 NKVLEEPTXGKSIC-CMDGGOBGSA-N 374.366 3.979 0 40 FHAB COc1ccc(N[C@H]2SC(=O)N(CCNc3cccc(C)c3)C2=O)cc1 12113031 CIFBPQKNPFLRGJ-KRWDZBQOSA-N 371.462 3.549 0 40 FHAB COc1cccc(C2(NC(=O)Cn3c(C)nc4ccccc43)CCCC2)c1 12115985 AJHPIEKSGFFCFI-UHFFFAOYSA-N 363.461 3.939 0 40 FHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1ccccc1 14400546 REZURWWHCVSPJI-LJQANCHMSA-N 359.491 3.902 0 40 FHAB Cc1cc(C)c2c(=O)cc(CSc3nnc(-c4ccco4)n3C)[nH]c2c1 15865287 DSJFCBCIXONRHX-UHFFFAOYSA-N 366.446 3.826 0 40 FHAB O=C(Nc1ccccc1)c1cc2cccnc2n(Cc2ccccc2)c1=O 15883301 CINMQNPRRQCWJG-UHFFFAOYSA-N 355.397 3.697 0 40 FHAB C[C@H](Cc1ccc(F)cc1)N1CC[C@@]2(CCc3ccccc3C(=O)N2)C1 19456789 CCWNOGYVXNWTQL-ZHRRBRCNSA-N 352.453 3.577 0 40 FHAB C[C@@H](OCC(F)(F)F)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 31712937 HUAGWXIHZVEXJV-LDYMZIIASA-N 353.793 3.961 0 40 FHAB COc1ccc(-n2c(S)nc3ccccc3c2=O)cc1C(F)(F)F 2087173733 FBUMRENBQUQRPY-UHFFFAOYSA-N 352.337 3.702 0 40 FHAB Cc1c(C(=O)N2CCOCC2)[nH]c2ccc(OCc3ccccc3)cc12 862753 QDPVAKMAFHOZNR-UHFFFAOYSA-N 350.418 3.528 0 40 FHAB biogenic,in-vitro Cc1ccccc1CSc1nc(=O)n(Cc2ccco2)c2c1CCC2 4940126 RPNOQNGZNPWFIZ-UHFFFAOYSA-N 352.459 3.974 0 40 FHAB O[C@H](COC[C@@H]1C[C@H]2CC[C@H]1C2)CN1CCC(Cc2ccccc2)CC1 106219861 LEDFADQRHWJSEN-MLCQCVOFSA-N 357.538 3.755 0 40 FHAB O=C(/C=C/c1cccs1)NCCOc1ccc(-c2ccc(F)cc2)nn1 38486372 CNWMMUDHIQFLRF-VQHVLOKHSA-N 369.421 3.553 0 40 FHAB COc1ccc(F)cc1S(=O)(=O)NCc1ccc(-c2ccoc2)cc1 575414171 GEPBFEYDKCYRBL-UHFFFAOYSA-N 361.394 3.573 0 40 FHAB O=C(NC[C@@H](c1cccs1)n1cccn1)C1(c2ccc(F)cc2)CC1 575614131 OIRFRMQUDOQWMS-INIZCTEOSA-N 355.438 3.521 0 40 FHAB CCCOc1ccc(C(=O)CCNc2ccc(-c3nncn3C)cc2)cc1 30952867 YFYCKTKCODEVGA-UHFFFAOYSA-N 364.449 3.956 0 40 FHAB CCOc1ccc(NC(=O)c2cc3c(=O)n4ccccc4nc3s2)cc1 2466887 YVRDIPBTERRLJD-UHFFFAOYSA-N 365.414 3.560 0 40 FHAB CC[C@@H](NC(=O)c1cc(C2CC2)nc2c1cnn2C)c1ccc(OC)cc1 36616624 XMIBGBYAXFGKTD-GOSISDBHSA-N 364.449 3.735 0 40 FHAB CC1(C)[C@H]2CC[C@]1(C)c1nc(SCC(=O)Nc3ccc(F)cc3)nnc12 929309 CLIQVSCEPAGLMN-ORAYPTAESA-N 372.469 3.916 0 40 FHAB CCC(=O)Oc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 1010632 QVDXPUFTLDZTRH-UHFFFAOYSA-N 368.433 3.783 0 40 FHAB O=C(COC(=O)c1ccc2ncsc2c1)Nc1cccc2ncccc12 11428333 YHVNNWLSONPGNA-UHFFFAOYSA-N 363.398 3.640 0 40 FHAB COc1cc([C@@H](C)NC(=O)N(C)C(C2CC2)C2CC2)cc(OC)c1OC 51272836 QIXWHRJVBUTRMM-GFCCVEGCSA-N 362.470 3.603 0 40 FHAB C[C@H](NC(=O)c1ccccc1)C(=O)OCc1cccc(C(F)(F)F)c1 11420754 IAXZSMSCIFEDAM-LBPRGKRZSA-N 351.324 3.567 0 40 FHAB COc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)c(OC)c1 11462198 WTUJSLUFSPTPME-UHFFFAOYSA-N 352.390 3.930 0 40 FHAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)c1cnc2ccccc2n1 3016391 NMPMVBMVLVNMSZ-UHFFFAOYSA-N 352.337 3.623 0 40 FHAB CCc1ccc(Nc2nnc(SCC(=O)NC(C)(C)C)s2)cc1 3461253 WYWSBOIXTNIYFG-UHFFFAOYSA-N 350.513 3.851 0 40 FHAB Cn1c(=O)n2nc(Cc3ccccc3)nc2c2c(-c3ccccc3)csc21 32104790 ANMHCPOETRAOAB-UHFFFAOYSA-N 372.453 3.901 0 40 FHAB CCn1cc(/N=c2\scc(C)n2[C@@H]2CCC[C@H]([S@@](=O)CC)C2)cn1 101491807 HMRJDIWYGHOIPW-KQVLUVNZSA-N 366.556 3.559 0 40 FHAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cccnc2)cc1 6246729 QOXJNBWQGXXISI-UHFFFAOYSA-N 361.401 3.500 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)N1CCN(c2cccc(C)c2C)CC1 7381250 OKPTYAOTHUFMTE-FQEVSTJZSA-N 370.468 3.949 0 40 FHAB Cc1c(Cl)cccc1NC(=O)COC(=O)CCC(=O)c1ccccc1 7396118 IAAOUFPKNSDSDM-UHFFFAOYSA-N 359.809 3.793 0 40 FHAB COc1cc(C)c(CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)cc1OC 7779154 IOUGYPPDQAYFBW-OAHLLOKOSA-N 368.433 3.678 0 40 FHAB C[C@H](NC(=O)c1ccccc1I)[C@H]1C[C@H]2CC[C@H]1C2 102186456 PTUYHISFNRTITL-ZJQBRPOHSA-N 369.246 3.846 0 40 FHAB CCOC(=O)c1sc(NC(=O)CCc2c[nH]c3ccccc23)nc1C 8325080 NZAQOMYOSMYMEO-UHFFFAOYSA-N 357.435 3.681 0 40 FHAB Cc1nc(NC(=O)[C@H](C)OC(=O)c2ccc3ncsc3c2)sc1C 21665928 NZPYLHLZAHDASI-VIFPVBQESA-N 361.448 3.554 0 40 FHAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)C1 10640640 QNKQEPLAGJAFKE-ZBFHGGJFSA-N 368.477 3.708 0 40 FHAB CS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 2660928 UMHILHJZUHKOBU-UHFFFAOYSA-N 358.246 3.578 0 40 FHAB Cc1cccc(NC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)n1 21894310 VGZPIPSUWHZFRU-PQGQHUGISA-N 369.509 3.686 0 40 FHAB Cc1ccc(F)cc1NC(=O)c1occc1CS(=O)(=O)c1ccccc1 22019945 ZCNIBUNHOGKZEJ-UHFFFAOYSA-N 373.405 3.953 0 40 FHAB CC1CCN(C(=O)[C@H](C)Sc2nncn2-c2cccc(Cl)c2)CC1 22093661 DBVJQCDLSSYQKE-ZDUSSCGKSA-N 364.902 3.660 0 40 FHAB COc1cc(OC)c(C2=CCN(C(=O)NC3CCCCC3)CC2)c(OC)c1 53898481 MQXQUZAOUKKGHR-UHFFFAOYSA-N 374.481 3.844 0 40 FHAB CCN(Cc1ccccc1)S(=O)(=O)c1cccc(Br)c1 37383646 HUJCSMXQTPYBJD-UHFFFAOYSA-N 354.269 3.660 0 40 FHAB Clc1ccc2oc(-c3ccccc3)c/c(=N\CCN3CCOCC3)c2c1 12374219 PMQHJMDUYWFHIF-FCDQGJHFSA-N 368.864 3.986 0 40 FHAB Nc1cc(C(=O)OCC(=O)c2cccc(C(F)(F)F)c2)ccc1Cl 24212675 JCMMOYUKHMPXSB-UHFFFAOYSA-N 357.715 3.981 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2sc(-n3cccc3)nc2C)cc1 12322012 PMLPDKHWKNIJKU-UHFFFAOYSA-N 355.419 3.671 0 40 FHAB COc1ccccc1C1=N/C(=C\c2ccc(Br)s2)C(=O)O1 8180150 WRWVKCUWKGJMBK-FLIBITNWSA-N 364.220 3.864 0 40 FHAB CCn1nnc2cc(C(=O)O[C@@H](C)C(=O)c3ccc(Cl)cc3)ccc21 22091833 VSKALHQZCFOEPM-NSHDSACASA-N 357.797 3.533 0 40 FHAB Cc1ccc(NC(=O)CSCc2cccnc2)c(OC[C@H]2CCCO2)c1 55654197 QFTQEDUCRKBGDB-QGZVFWFLSA-N 372.490 3.820 0 40 FHAB CC(C)(CNC(=O)c1ccccc1OC(F)F)N1CCc2ccccc2C1 25464207 KTNDLOUGLTXJSJ-UHFFFAOYSA-N 374.431 3.855 0 40 FHAB Cc1sc(-n2cccc2)c(C(=O)Nc2ccc(-n3cncn3)cc2)c1C 43966760 DETBFDCHESDUJY-UHFFFAOYSA-N 363.446 3.989 0 40 FHAB Cc1nc(NC(=O)CCN2C(=O)c3ccccc3N[C@@H]2C(C)C)sc1C 61719271 MIDSCYBJJOSZIN-KRWDZBQOSA-N 372.494 3.639 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)N[C@H](c2ccccc2F)c2nccn2C)cc1 12550420 ZAWKCLMXAPRYLM-DNVCBOLYSA-N 367.424 3.541 0 40 FHAB Cc1ccc(S(=O)(=O)NCCCCCC(=O)Nc2cccc(C)c2)cc1 2184256 BQJOLUXWATZXLG-UHFFFAOYSA-N 374.506 3.781 0 40 FHAB CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3cccc(Cl)c3)ccc21 12562280 LVPXIILOHHCIRX-LBPRGKRZSA-N 357.841 3.688 0 40 FHAB Cc1nn(C)c(C)c1[C@@H]1SCC(O)=Nc2c1c(C)nn2-c1ccccc1 44919790 XISAPEHPVVGKRE-SFHVURJKSA-N 367.478 3.955 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1Cl 3186054 SDCKTRXYNWWKLT-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB C[C@]1(C(=O)OCC(=O)c2ccc(Br)s2)CC1(Cl)Cl 3294195 WZRAQCIEPLJFEQ-SNVBAGLBSA-N 372.067 3.820 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 3236328 VRQNTUMMCQQVCF-UHFFFAOYSA-N 363.417 3.918 0 40 FHAB CN(Cc1ccc(Cl)s1)C(=O)Cc1ccc(N2CCCC2=O)cc1 8246919 ORZCQHQUHJDXOT-UHFFFAOYSA-N 362.882 3.729 0 40 FHAB Cc1cccc(N2C[C@@H](C(=O)NCc3ccc(C(C)C)cc3)CC2=O)c1 408709305 ZFKPMISZABHQGE-IBGZPJMESA-N 350.462 3.788 0 40 FHAB O=C(N[C@H]1CCOc2ccccc21)c1ccc(Cl)cc1N1CCCC1=O 48304169 QLDQOTZMUOSSBL-INIZCTEOSA-N 370.836 3.720 0 40 FHAB CCS(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 48355376 QDELMYBCYLYURO-UHFFFAOYSA-N 353.831 3.746 0 40 FHAB COc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 78578884 BGYZRVPRYJUBSS-UHFFFAOYSA-N 357.797 3.671 0 40 FHAB O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1cccc(F)c1 12873507 FPNMHCIXFSDHNK-UHFFFAOYSA-N 370.424 3.938 0 40 FHAB Cc1nn(C)c(C)c1NC(=O)c1cccc(NC(=O)c2cccs2)c1 12816070 DMQYYRHPWGOEPR-UHFFFAOYSA-N 354.435 3.603 0 40 FHAB COc1cc(C(=O)Nc2nc3c(s2)CCCCC3)cc(OC)c1OC 12828443 WBBQTLXHXGOVQE-UHFFFAOYSA-N 362.451 3.690 0 40 FHAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(F)cc1Cl 3450169 TYYLQNKYOGMURH-UHFFFAOYSA-N 372.179 3.937 0 40 FHAB CN1C(=O)[C@@]2(OCC(Br)=C2c2ccccc2)c2ccccc21 26897462 DMKWFIPFLPRDRH-GOSISDBHSA-N 356.219 3.695 0 40 FHAB O=C(c1ccccn1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 8427714 SVIKVYBLCYMQCB-UHFFFAOYSA-N 354.797 3.590 0 40 FHAB O=C(Nc1ccc(F)cc1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 3532824 BHZAELAMSYEDCF-UHFFFAOYSA-N 351.381 3.514 0 40 FHAB Cn1nc(C(=O)OCc2c(Cl)cccc2Cl)c2ccccc2c1=O 3585984 LLBUXXKJVMUNFH-UHFFFAOYSA-N 363.200 3.597 0 40 FHAB O=C1CSC(=O)N1CC(=O)N1c2ccccc2Sc2ccccc21 8391681 BALVCYDZYADCJD-UHFFFAOYSA-N 356.428 3.511 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 20958054 YHIPELVFXWLTSZ-JLHYYAGUSA-N 352.434 3.733 0 40 FHAB Cc1nnc(O)c(C(=O)NCC2(c3cccc(F)c3)CCCCC2)c1C 63082108 CFOZEJPHLSVWAA-UHFFFAOYSA-N 357.429 3.570 0 40 FHAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCc3cc(C(=O)O)ccc32)cc1 13278419 RMYSTPWEIZPODW-ZDUSSCGKSA-N 359.447 3.650 0 40 FHAB CCOc1ccc(N2C[C@H](C(=O)Oc3cc(C)cc(C)c3)CC2=O)cc1 5002159 XYDDKLPDJPXPMW-MRXNPFEDSA-N 353.418 3.661 0 40 FHAB CCOc1ccc([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(C)=O)cc1 4317753 CTHZDDMILKGADQ-LJQANCHMSA-N 368.433 3.800 0 40 FHAB COc1ccccc1/C=C1\S[C](Nc2cc(C)ccc2OC)NC1=O 408804801 BKMFBEIZIQHBBF-UHFFFAOYSA-N 355.439 3.775 0 40 FHAB CN(Cc1ccc(Cl)s1)C(=O)CCNC(=O)Nc1ccccc1 14239303 FYTCNTDTDGNFJQ-UHFFFAOYSA-N 351.859 3.572 0 40 FHAB COc1cc(NC(=O)[C@@H](C)N(C)Cc2ccc(Cl)s2)cc(OC)c1 18939008 FSLCZUKWRNIYJO-LLVKDONJSA-N 368.886 3.878 0 40 FHAB COc1ccccc1-c1nnc2sc(COc3cccc(C)c3)nn12 4664936 RAVMVUBJOVITRP-UHFFFAOYSA-N 352.419 3.749 0 40 FHAB Cc1ccc(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)c(C)c1 14877901 KLDPHHGSBVBIIY-UHFFFAOYSA-N 355.419 3.786 0 40 FHAB COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(Br)cc2)cc1 5717479 LMFBGRSUUOPIPT-NSHDSACASA-N 363.207 3.886 0 40 FHAB CC(C)c1ccc(CN(C)C[C@@H](O)COCc2ccc3c(c2)OCO3)cc1 7007649 JDRRXDDODYDZGZ-HXUWFJFHSA-N 371.477 3.548 0 40 FHAB O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1ccccc1 7007856 FDPPQHDVSNZYCR-QHCPKHFHSA-N 356.425 3.877 0 40 FHAB O=C(Nc1ccccc1N1CCCC1=O)c1cc(F)c(F)cc1Cl 15614652 PTIDCUZUGKWAEZ-UHFFFAOYSA-N 350.752 3.997 0 40 FHAB CCN(Cc1csc(N(C(C)=O)C2CC2)n1)[C@H](C)c1cccc(O)c1 80933423 MEGZEAVISDXEBX-CYBMUJFWSA-N 359.495 3.947 0 40 FHAB CC(C)c1ccc(SCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)cc1 27684440 QTGVZFRALWNDJG-UHFFFAOYSA-N 372.446 3.979 0 40 FHAB CCN1CCN(c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)CC1 9339284 CWULLCKKOYPBPR-UHFFFAOYSA-N 355.507 3.631 0 40 FHAB Cc1cc(NC(=O)[C@H](C)SCc2cc(Cl)c3c(c2)OCO3)no1 9586534 LPDMQYNWPDGGSK-VIFPVBQESA-N 354.815 3.626 0 40 FHAB COc1ccc(C(=O)C2CCN(C(=O)/C=C/c3ccc(F)cc3)CC2)cc1 9983384 HXYFRMYRQLHXGE-NYYWCZLTSA-N 367.420 3.969 0 40 FHAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)Nc1cccc(Cl)c1 22505631 NLIBBEVJFROART-UHFFFAOYSA-N 365.842 3.524 0 40 FHAB c1cc(-c2ccc3nc([C@@H]4CCN(Cc5ccsc5)C4)nn3c2)ccn1 306140703 VBIBSMKMTHWLGK-GOSISDBHSA-N 361.474 3.842 0 40 FHAB Cc1c(C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)oc2c1ccc1ccccc12 554754859 OOUFQDYNAYAXTQ-QZTJIDSGSA-N 362.429 3.778 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1 64983004 JARNSJIBTUJWKQ-QGZVFWFLSA-N 354.450 3.546 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@](C)(O)c1cccs1 75155903 BIRHDAWGFHXVCK-KRWDZBQOSA-N 353.871 3.583 0 40 FHAB COc1ccc(-c2noc([C@H]3CCN(Cc4ccc(F)cc4)C3)n2)cc1 72369916 LSRUHKGFXWUREN-INIZCTEOSA-N 353.397 3.874 0 40 FHAB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc(F)c2)SC1=S 35040373 RNEXDLAIOIXXPD-AUWXEVLLSA-N 353.440 3.670 0 40 FHAB CCc1ccc(OCCS(=O)(=O)Nc2cc(Cl)ccc2OC)cc1 70637871 LBBAYNIQNMHSCQ-UHFFFAOYSA-N 369.870 3.732 0 40 FHAB Cc1[nH][nH]c(=NC(=O)[C@H](C)[C@@H]2OCCc3sccc32)c1-c1ccccc1 517679957 FHQCUQQVXCAASF-XIKOKIGWSA-N 367.474 3.757 0 40 FHAB CC[C@@H]1CN(C(=O)c2cc(-c3ccccc3F)nc3onc(C)c23)CCO1 30852027 MFJIIRLECKBXCU-CYBMUJFWSA-N 369.396 3.588 0 40 FHAB COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(OC)cc3OC)C2)cc1 38566821 OHRXAZKKYCVNOZ-OAHLLOKOSA-N 356.422 3.734 0 40 FHAB Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1SC=C2Sc3nncn3N21 32072875 JQGWUYPWIOHSHO-AWEZNQCLSA-N 374.882 3.714 0 40 FHAB CC(C)(C)NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46078920 DURKGCVRLIFMJM-UHFFFAOYSA-N 354.425 3.947 0 40 FHAB COc1ccccc1-c1nc([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)no1 44421720 ITCNJCKNRYGUPS-GFCCVEGCSA-N 369.808 3.919 0 40 FHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1CCCCCC1 224489354 RYBIELRACLVJJD-SFHVURJKSA-N 358.526 3.715 0 40 FHAB CCOc1cccc(CNS(=O)(=O)c2ccc3cc(OC)ccc3c2)c1 225511984 XXXKUAMYQGCZFI-UHFFFAOYSA-N 371.458 3.726 0 40 FHAB Cn1nccc1C1CCN([C@@H](C(=O)O)c2ccc(Cl)c(Cl)c2)CC1 573927359 LBLAVYDUPXGKQX-MRXNPFEDSA-N 368.264 3.732 0 40 FHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1C 223340860 BUSHQLUSQOVZNK-MOPGFXCFSA-N 366.490 3.803 0 40 FHAB Cc1nccn1Cc1ccc(C(=O)Nc2nnc(SC(C)C)s2)cc1 225300974 VGIVNZOORKLXQM-UHFFFAOYSA-N 373.507 3.844 0 40 FHAB COc1cc(N)cc(Cl)c1NC(=O)c1ccc(Br)cc1 227146760 AOHVSJVDKNANRP-UHFFFAOYSA-N 355.619 3.946 0 40 FHAB COc1cc(CNC(=O)CCc2ccc(C)c(C)c2)cc(OC)c1OC 223298746 CKGISWCXOWOVBZ-UHFFFAOYSA-N 357.450 3.578 0 40 FHAB CC(C)(C)c1nnc(NC(=O)CN2CCC[C@@H]2c2cccs2)s1 136253467 LXOVAYCIHRSQPE-LLVKDONJSA-N 350.513 3.673 0 40 FHAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3CCOC)N21 222685717 KQIOUSLLFDFHEI-JCGIZDLHSA-N 356.495 3.509 0 40 FHAB CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccco1 222835805 LNRUIPUHOPLAAP-CQSZACIVSA-N 362.857 3.623 0 40 FHAB Cc1ccc(C(=O)NCC2=CCCCC2)c(I)c1 225029174 SUSRHZNZJUCYDY-UHFFFAOYSA-N 355.219 3.830 0 40 FHAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)c1ccc(Cl)cc1Cl 8849939 SJGPBLPCLJKCTR-UHFFFAOYSA-N 369.248 3.821 0 40 FHAB CCc1ccc(NC(=O)N2CC[C@@]3(C[C@H]3C(=O)Nc3cccnc3)C2)cc1 96226901 VYSHIZQHEWEMAE-GHTZIAJQSA-N 364.449 3.527 0 40 FHAB O=C1CCc2cc(NC(=O)c3cc(Br)cs3)ccc2N1 96103544 IANUIFDTCBRVHS-UHFFFAOYSA-N 351.225 3.648 0 40 FHAB CCS(=O)(=O)c1ccc(CN[C@H](Cc2ccccc2C)C2CC2)cc1 585081485 XELVDLQEVMFSTG-OAQYLSRUSA-N 357.519 3.900 0 40 FHAB COc1ccc2[nH]cc(C3CCN(Cc4ncccc4C(=O)O)CC3)c2c1 652401156 NYTQTDBPUKIBMH-UHFFFAOYSA-N 365.433 3.649 0 40 FHAB O=C(NCCc1ccc(C2CCCCC2)cc1)N1CCc2nccnc2C1 661526962 LKTXMLJYUZZZDE-UHFFFAOYSA-N 364.493 3.835 0 40 FHAB CC(C)(C)N1CC[C@H](CNc2nc(-c3cccnc3)nc3c2CCC3)C1 664139036 YYTKCKRNMGUXRM-OAHLLOKOSA-N 351.498 3.560 0 40 FHAB O=S1(=O)CCN(Cc2cccc(-c3ccc(C(F)F)cc3)c2)CC1 649430786 QLYZVURHNBSKAE-UHFFFAOYSA-N 351.418 3.522 0 40 FHAB Cc1oncc1C(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 96025628 RPEWNTFTPRXNPV-UHFFFAOYSA-N 361.401 3.828 0 40 FHAB Nc1c(Cl)cc(NC(=O)c2csc(-c3ncccn3)n2)cc1Cl 47302978 MKJZJFKXLLGYMP-UHFFFAOYSA-N 366.233 3.741 0 40 FHAB O=c1c2cnn(-c3ccccc3)c2ncn1Cc1ccc(C(F)(F)F)cc1 5138664 PXTAPHOTDVLZBA-UHFFFAOYSA-N 370.334 3.649 0 40 FHAB Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)NCc3ccccc3)C2)c1C 12471755 BTJCUDWDHHMOLZ-LJQANCHMSA-N 365.477 3.864 0 40 FHAB Cc1ncc(-c2ccncc2)c(-c2ccc(CNC(=O)[C@@H]3C[C@H]3C)cc2)n1 13228129 MGZIKKKLFTZCRI-AUUYWEPGSA-N 358.445 3.786 0 40 FHAB COc1ccc2nc(O)c(CN(C(C)=O)c3ccccc3OC)cc2c1 13479904 KAVNUVBMLPRVLA-UHFFFAOYSA-N 352.390 3.511 0 40 FHAB CC(C)Nc1ncc(-c2ccncc2)c(C2CCN(C(=O)C(C)C)CC2)n1 19085213 OZPWLCGDZKWYBY-UHFFFAOYSA-N 367.497 3.721 0 40 FHAB C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(N[C@@H]2CCc3ccccc32)n1 19457457 WVGJZHYLGQQLNP-BLLLJJGKSA-N 369.856 3.523 0 40 FHAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCc1nc(C(C)(C)C)cs1 19661386 LZXNRPRFFUXRLX-GFCCVEGCSA-N 350.459 3.706 0 40 FHAB COC(=O)C1(Cc2ccccc2-c2cccc(C(=O)O)c2)CCOCC1 12326682 HUTHCFPALZGIKN-UHFFFAOYSA-N 354.402 3.564 0 40 FHAB O=C(/C=C/c1ccc(Cl)cc1)OCC(=O)c1ccc2c(c1)OCCO2 5127687 QFUZHNKXRRBNSA-FPYGCLRLSA-N 358.777 3.551 0 40 FHAB FC(F)(F)c1ccc(CN2CCC[C@@H](COc3ncccn3)C2)cc1 1888863710 ZCJSBHHLHKHWDM-OAHLLOKOSA-N 351.372 3.786 0 40 FHAB COc1ccc(CCNC(=O)N[C@H](C)c2cccc(Cl)c2)cc1OC 26519293 NFYZUNMSXHKETA-CYBMUJFWSA-N 362.857 3.960 0 40 FHAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)C1CCN(C(=O)c2cccs2)CC1 26874361 LFCDBCOFTSPDAQ-AWEZNQCLSA-N 374.481 3.959 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2CCC(=O)N2C(=O)OCc2ccccc2)c(C)c1 1056394 HJUNCBBLZGCIOU-SFHVURJKSA-N 366.417 3.570 0 40 FHAB Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3cccc(Cl)c3)cc12 3911822 YDKDUQHSJPJBNO-UHFFFAOYSA-N 354.837 3.771 0 40 FHAB Cc1ccc(NC(=O)CCn2cnc3c([nH]c4ccc(C)cc43)c2=O)cc1 23125596 QJWBGRKEGWMYIT-UHFFFAOYSA-N 360.417 3.523 0 40 FHAB C[C@H](Cc1ccccc1Cl)NC(=O)c1ccc(Cn2ccnc2)cc1 40112074 XDMYYYIFLKOUCU-OAHLLOKOSA-N 353.853 3.946 0 40 FHAB COCc1c(C(=O)Nc2ccccc2N2CCOCC2)oc2ccccc12 7842633 DVCIZYZJRTWSFS-UHFFFAOYSA-N 366.417 3.668 0 40 FHAB COC(=O)c1ccccc1NC(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 3909367 UCKRFFCJBBCELI-GFCCVEGCSA-N 356.422 3.865 0 40 FHAB C[C@]1(c2cccc3ccccc23)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O 4477524 VEXHJRXFUTWYJZ-JOCHJYFZSA-N 374.396 3.536 0 40 FHAB O=c1[nH]c(CSc2nncs2)nc2scc(-c3ccccc3)c12 4938647 XAZFRHKEXMSDIS-UHFFFAOYSA-N 358.473 3.795 0 40 FHAB Cc1nc2cc(C(=O)NCCc3ccccn3)ccc2n1-c1ccccc1 32657036 ZJTQCLXLZKGJGZ-UHFFFAOYSA-N 356.429 3.701 0 40 FHAB CCOc1ccccc1CCCNC(=O)[C@H](C)Oc1ccc(OC)cc1 10111065 TZBQMIWPCXTPMF-INIZCTEOSA-N 357.450 3.610 0 40 FHAB CC(=O)Nc1ccc(SC[C@@H](O)COCc2ccc(Cl)cc2)cc1 32751039 ICPGQUHTBGBBII-KRWDZBQOSA-N 365.882 3.968 0 40 FHAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(F)cc1Cl 32754209 UIMZXALAXHNRSC-LLVKDONJSA-N 369.845 3.716 0 40 FHAB CCN1C[C@H](CN(C)C(=O)c2cccc3ncccc23)Oc2ccccc21 32903515 GCBMKQLKGPWCGC-INIZCTEOSA-N 361.445 3.594 0 40 FHAB CCc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC3)cc2)cc1 9064159 IGSAFDMYSMQYPV-UHFFFAOYSA-N 353.491 3.976 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)/C=C/c1cccc(F)c1)c1cccc(F)c1 9335942 OXJLJUQQYNFQQH-SGQUHAKNSA-N 353.372 3.617 0 40 FHAB O=C(CSc1ccc(F)c(F)c1)Nc1ccc(C(=O)NC2CC2)cc1 22193222 WZZLIASKJBFMCQ-UHFFFAOYSA-N 362.401 3.588 0 40 FHAB O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1ccc2nsnc2c1 21595808 JEHHFUFDCBEQEB-UHFFFAOYSA-N 364.386 3.789 0 40 FHAB CC(C)c1nccn1CCC(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 81437540 QGBJKESQTJOMDE-INIZCTEOSA-N 374.460 3.765 0 40 FHAB COc1ccc(C)cc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 950289 CWTOKPRCKAKKQA-UHFFFAOYSA-N 368.414 3.523 0 40 FHAB CCc1cccc(CC)c1NC(=O)CN(C)C[C@@H]1COc2ccccc2O1 16628818 PDFKCSARRGRGIM-GOSISDBHSA-N 368.477 3.522 0 40 FHAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)c1ccc(F)c(F)c1 8129393 YCJLZDQTWRSACR-UHFFFAOYSA-N 368.265 3.520 0 40 FHAB C[C@H]1COc2ccccc2N1S(=O)(=O)c1ccccc1OC(F)(F)F 33859637 UAAXTDZNMCHPHC-NSHDSACASA-N 373.352 3.561 0 40 FHAB COc1cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc(OC)c1OC 1020955 DRFXSERGCZYKBK-AUWJEWJLSA-N 373.792 3.710 0 40 FHAB O=C(Cn1cnc2ccccc21)Nc1ccc(OC(F)(F)Cl)cc1 1078383 AFDQNVOREHPYME-UHFFFAOYSA-N 351.740 3.843 0 40 FHAB CCc1c([C@@H](C)S(=O)(=O)c2ccccc2)[nH]c(=O)n1-c1ccc(C)cc1 1396059 YWNJUYDTHFUNOH-OAHLLOKOSA-N 370.474 3.571 0 40 FHAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCn3c2nc2ccccc23)cc1 12527110 SLOAZERJFQRLCR-AWEZNQCLSA-N 355.463 3.759 0 40 FHAB Cc1ccc(NC(=O)c2cnn(C(C)(C)C)c2)c(OC[C@H]2CCCO2)c1 55654351 GCUMDSAJCNWFIM-MRXNPFEDSA-N 357.454 3.757 0 40 FHAB Cc1ccc(CNC(=O)[C@H](NC(=O)Nc2ccccc2)C(C)C)cc1F 25366705 RLRGLHJJYVHKOI-GOSISDBHSA-N 357.429 3.597 0 40 FHAB C[C@@H]1CCc2ccccc2N1CC(=O)N(C)Cc1cnn(-c2ccccc2)c1 25452849 CMBVEEICZLEGQV-GOSISDBHSA-N 374.488 3.672 0 40 FHAB CCOCCOCc1cccc(NC(=O)c2cc(Br)c[nH]2)c1 58160131 GUMJARHQOVVONP-UHFFFAOYSA-N 367.243 3.583 0 40 FHAB CCCc1ccc(C(=O)CCC(=O)NCc2ccc3c(c2)OCO3)cc1 8181279 ADJGAIISDXRLDX-UHFFFAOYSA-N 353.418 3.647 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2snnc2-c2ccccc2)cc1 36359794 CWFHGSCUDVBZDG-UHFFFAOYSA-N 353.403 3.634 0 40 FHAB CSc1nc(NCCO)c2sc3nc(C(C)C)c4c(c3c2n1)CCC4 2377946 RZRZWLFJDBWRPE-UHFFFAOYSA-N 374.535 3.978 0 40 FHAB Cc1noc(C)c1CC(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 58770879 BSICNJNOWWUTHX-INIZCTEOSA-N 350.365 3.629 0 40 FHAB CN(C)CCN(Cc1cccs1)Cc1cc2c(cc1Cl)OCO2 23247851 ILTORWHGAOULIK-UHFFFAOYSA-N 352.887 3.694 0 40 FHAB COc1ccccc1CN(Cc1noc(C(C)(C)C)n1)C[C@H]1CCCO1 48235345 MLVCBDXLIHEBAZ-MRXNPFEDSA-N 359.470 3.557 0 40 FHAB O=C(CSc1nnnn1C1CCCC1)Nc1ccc(Cl)c(Cl)c1 12804818 KLTJWMSCORURDE-UHFFFAOYSA-N 372.281 3.826 0 40 FHAB O=C1O[C@H](C(=O)N[C@@H](c2ccccc2)c2cccs2)Cc2ccccc21 12871143 TVVCRBWOWUJYJP-HKUYNNGSSA-N 363.438 3.735 0 40 FHAB CC(=O)N1C[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2)Oc2ccccc21 12980551 ZNZPQJXQLVNONN-LJQANCHMSA-N 352.434 3.737 0 40 FHAB Cc1cc(C)c(NC(=O)CN(C)CCC(=O)Nc2ccccc2)c(C)c1 12978487 FRAJRTKMOODEAL-UHFFFAOYSA-N 353.466 3.511 0 40 FHAB N=C1NC(=O)/C(=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)S1 4093961 IZXJWDIYIURXNY-ZROIWOOFSA-N 358.806 3.698 0 40 FHAB CC(=O)Nc1ccc(SCC(=O)N[C@H]2CCCc3ccccc32)cc1 6186259 WHGFNCYGCSLUKG-IBGZPJMESA-N 354.475 3.931 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)COC(=O)COc1ccc2c(c1)CCC2 5241251 CUGQSGKWIGRRAF-UHFFFAOYSA-N 373.836 3.698 0 40 FHAB Cc1occc1C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F 4676793 CPFXYZZRJNUIPJ-OAHLLOKOSA-N 372.730 3.743 0 40 FHAB C[C@H]1C[C@@H](C)CN(Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 6627103 JCDYJYAVTWCEQV-GASCZTMLSA-N 353.491 3.901 0 40 FHAB CCc1cccc2c(C(=O)COC(=O)c3cccc(OC)c3OC)c[nH]c12 6620002 AJOBVXJZTPADGY-UHFFFAOYSA-N 367.401 3.787 0 40 FHAB Cc1ccc(CN(C[C@H]2CCCO2)C(=O)COc2ccc(Cl)cc2)o1 8915441 UMNZQSRKMXUFFY-QGZVFWFLSA-N 363.841 3.828 0 40 FHAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2c(F)cccc2Cl)C1=O 5791485 YRLGWHGQGORJQN-KRWDZBQOSA-N 368.742 3.725 0 40 FHAB O=C(Nc1nc2c(ccc3ccccc32)s1)c1cccc(-n2cnnn2)c1 8778464 UKDUOYCCCUCTAA-UHFFFAOYSA-N 372.413 3.678 0 40 FHAB Cc1ccc(SCCN2C(=O)N[C@]3(CCCc4sccc43)C2=O)cc1 8777480 MJLHATSKCGKCTF-IBGZPJMESA-N 372.515 3.932 0 40 FHAB O=C(O)C/C(=C\c1cnn(-c2ccccc2)n1)c1nc2ccccc2s1 9647599 UKSJDWWSBYTLRP-JLHYYAGUSA-N 362.414 3.892 0 40 FHAB CCCCn1nc(C(=O)N(C)Cc2ccccc2F)c2ccccc2c1=O 9364026 HSJLBHOMSATWGN-UHFFFAOYSA-N 367.424 3.608 0 40 FHAB C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)N1CCc2ccccc2C1 9313496 YKLHCBCZSROOCP-CQSZACIVSA-N 364.474 3.537 0 40 FHAB O=C(CCCc1nc(-c2cccnc2)no1)Nc1cccc2ncccc12 9419572 GLKAONXQFOTVCQ-UHFFFAOYSA-N 359.389 3.641 0 40 FHAB O=C(CCC1CCCC1)NCC1(c2ccc3c(c2)OCO3)CCOCC1 71826978 JHFZNUWKKKYEPP-UHFFFAOYSA-N 359.466 3.550 0 40 FHAB COc1ccc(CNC(=O)c2cn[nH]c2-c2cccc(Cl)c2)c(OC)c1 72328846 UFFMCJPLTIAYDD-UHFFFAOYSA-N 371.824 3.677 0 40 FHAB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)CNc1ccccc1Cl 84325666 UYVCLPXKXQLDKD-HNNXBMFYSA-N 360.889 3.897 0 40 FHAB COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccccc1Cl 85412982 XCMBAKBQAUEWGW-WMLDXEAASA-N 356.761 3.512 0 40 FHAB O=C(CCn1cc(Br)cn1)Nc1cccc(C(F)(F)F)c1 28237299 KKPWJHNRTGGWTJ-UHFFFAOYSA-N 362.149 3.693 0 40 FHAB Cc1ccc(NCC(=O)c2ccc(I)cc2)cc1 28294654 ZOFAXYAZORYIDS-UHFFFAOYSA-N 351.187 3.894 0 40 FHAB C[C@@H]1C[C@H](C(=O)NC2(c3ccc(C(C)(C)C)cc3)CCCC2)CC(=O)N1 544552413 UGLMUWIWVVNQBU-CVEARBPZSA-N 356.510 3.784 0 40 FHAB CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C\C=C\c2ccco2)SC1=S 35648585 RFVRNYGFTJZRAU-XKXLIFACSA-N 351.449 3.536 0 40 FHAB O=C(NC[C@@H]1Cc2ccccc2O1)c1cc(-n2cccc2)ccc1Cl 1544978403 FSFFJDGDNRDHBX-INIZCTEOSA-N 352.821 3.864 0 40 FHAB COc1ccc(-c2cccc([C@H]3CCCN(C(=O)c4cc[nH]n4)C3)n2)cc1 72349784 NSIRFLIRFZWRBB-INIZCTEOSA-N 362.433 3.500 0 40 FHAB Cc1ccc(C)c([C@H]2CN(CCOc3cccc(C(=O)O)c3)[C@H](C)CO2)c1 563284591 XVSPGEULTIQBED-DYESRHJHSA-N 369.461 3.842 0 40 FHAB Cc1ccc2nc(N3CCNCC3)c(-c3noc(-c4ccccc4)n3)cc2c1 32578985 RVSUAYXPGGWUHI-UHFFFAOYSA-N 371.444 3.670 0 40 FHAB O=C(O)c1ccc2c(c1)[C@]1(C[C@@H]1c1ccc(Br)cc1)C(=O)N2 217477384 SGRFNIKUQSWNJU-DYVFJYSZSA-N 358.191 3.525 0 40 FHAB COc1cc(CCC(=O)Nc2ccc3c(c2)OC(C)(C)O3)cc(OC)c1 32932424 DJQPYULSQCVMPM-UHFFFAOYSA-N 357.406 3.782 0 40 FHAB COc1ccc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1OC 44848335 VFQIPPQSQXTBJB-UHFFFAOYSA-N 361.507 3.881 0 40 FHAB Cc1nn2c(NCCCN(C)C)c3c(nc2c1-c1cccs1)CCC3 72341772 HVFJXWCRPMNPGT-UHFFFAOYSA-N 355.511 3.619 0 40 FHAB CCN(CC)C(=O)CN1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 72348746 HFLDCLUZYQISMQ-GOSISDBHSA-N 369.484 3.936 0 40 FHAB Cc1ccc2oc(CCC(=O)NCCOc3ccccc3Cl)nc2c1 224946663 PRLWGTJEFTVQRS-UHFFFAOYSA-N 358.825 3.917 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)CCc2ccc(OC)c(C)c2)c1 225704072 DJDHMMKEIUHDET-OAHLLOKOSA-N 357.450 3.831 0 40 FHAB Fc1cnc(Cl)nc1Oc1cccc(I)c1 85754784 WTGNNBZHELYAGL-UHFFFAOYSA-N 350.518 3.666 0 40 FHAB COc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2C)cc1Cl 222828568 WSKMCECXYGELQF-UHFFFAOYSA-N 355.843 3.775 0 40 FHAB CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1 223298055 YJHIDEKPCHAVET-UHOSZYNNSA-N 370.522 3.616 0 40 FHAB Cc1cc(Cl)ccc1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C 222430147 ZCAPVQFMEOMEFY-UHFFFAOYSA-N 366.870 3.605 0 40 FHAB COc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1F 225395429 ABTQJLOEHITGJC-UHFFFAOYSA-N 358.413 3.560 0 40 FHAB O=C1C[C@@H](C(=O)Nc2cc(CC3CCCCC3)n[nH]2)c2ccc(F)cc2N1 97504878 NMRWURCYAQUZKZ-MRXNPFEDSA-N 370.428 3.736 0 40 FHAB Cc1cccc(CN2C(=O)CCC23CCN(Cc2nccs2)CC3)c1 96049435 JSEWUUAAVRUUGS-UHFFFAOYSA-N 355.507 3.609 0 40 FHAB O=C1CC[C@@]2(CCCN(Cc3ccc(F)cc3)CC2)N1Cc1ccncc1 96047538 PQWOGPMKXQMBSI-JOCHJYFZSA-N 367.468 3.768 0 40 FHAB CC[C@@H](C)Oc1cc(C(=O)N2CCC[C@@]3(C2)OCc2ccccc23)ccn1 330090092 PEWRHRJGRZRUMZ-ZHRRBRCNSA-N 366.461 3.921 0 40 FHAB COc1ccc(CN2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)cc1 96050573 DDGSVEIXXDODSO-QHCPKHFHSA-N 364.489 3.628 0 40 FHAB O=C(Cc1ccsc1)N1CCC[C@H]1c1ccc(CN2CCCC2)cn1 257340341 ZFPHILLXUDJSPN-IBGZPJMESA-N 355.507 3.645 0 40 FHAB CCOc1ccc(CN(C)C)cc1[C@H]1C[C@@H](NC(C)=O)[C@@H]2CCCC[C@H]2O1 257263196 LOUZOGQZAAWILR-RGMHLJPOSA-N 374.525 3.672 0 40 FHAB O=C(NCc1ccnc(-c2ccncc2)c1)c1ccc(-n2cccc2)cc1 390826045 AKWKNJOBIZIJIT-UHFFFAOYSA-N 354.413 3.864 0 40 FHAB Cc1nnc(CN(C)C(=O)NCC2CCC(c3ccccc3)CC2)s1 664043225 RZYSVQNIZGNHLF-UHFFFAOYSA-N 358.511 3.962 0 40 FHAB COc1ccccc1CNC(=O)/C=C/c1ccc(OC(F)(F)F)cc1 13041656 WSQSNMRXVOXXDN-DHZHZOJOSA-N 351.324 3.923 0 40 FHAB CCOc1ccccc1C(=O)N[C@H](C)c1nc(-c2cccc(C)c2)no1 13495272 AHPYMTDEBZNNTD-CQSZACIVSA-N 351.406 3.935 0 40 FHAB Cc1ccc2nc(NC(=O)c3nc(C)n(-c4ccc(F)cc4)n3)sc2c1 15191388 AMMLWYUZZKIVAZ-UHFFFAOYSA-N 367.409 3.885 0 40 FHAB CCOc1ccc(C2=NN(C(=O)CC)c3ncn(C(=O)CC)c3S2)cc1 16777698 NAIMQDRMLZAXQN-UHFFFAOYSA-N 372.450 3.543 0 40 FHAB CCCCc1ccc(NC(=O)Cn2nc(C)n(-n3cccc3)c2=S)cc1 16777797 MAQOCBFJDUORRH-UHFFFAOYSA-N 369.494 3.817 0 40 FHAB CC[C@@H](NC(=O)c1cc(-c2ccccc2OC)n[nH]1)c1ccc(OC)cc1 19500501 WRWFQEMJAHCLHE-QGZVFWFLSA-N 365.433 3.975 0 40 FHAB Cc1nc(C)c(CC(=O)N[C@@H](Cc2ccsc2)c2ccccn2)s1 19560472 CUVQCNQSMPXZHU-INIZCTEOSA-N 357.504 3.859 0 40 FHAB CCn1cc(CN(C)C(=O)c2csc(-c3ccc(OC)cc3)n2)c(C)n1 19660281 JZWRNVVEOXTAFN-UHFFFAOYSA-N 370.478 3.616 0 40 FHAB CCn1nc([C@@H](C)C(=O)Nc2nc(C(C)C)cs2)c2ccccc2c1=O 19716967 ZLXOMCIZLVBNNC-GFCCVEGCSA-N 370.478 3.739 0 40 FHAB CCOc1ccc(/C=C(\Sc2nnc(C)[nH]2)C(=O)O)c2ccccc12 6355108 FESSUGAPLBWDRI-YBEGLDIGSA-N 355.419 3.883 0 40 FHAB CCOc1cccc(C(=O)Nc2ccccc2I)c1 4689066 HXFZUIAKPWPOOJ-UHFFFAOYSA-N 367.186 3.942 0 40 FHAB CC(C)c1nnc(NC(=O)c2ccc(COCC(F)(F)F)cc2)s1 28687581 KIOQXVAGDRRTLU-UHFFFAOYSA-N 359.373 3.993 0 40 FHAB Cc1noc(C)c1CCC(=O)NCCn1nc(C)c(-c2ccccc2)c1C 238817780 BWVIZSPOLGFRFD-UHFFFAOYSA-N 366.465 3.521 0 40 FHAB C[C@@H]1CCc2sc(NC(=O)c3ccc(Cl)s3)c(C(N)=O)c2C1 1518498 GHNNQBJQORVAAC-SSDOTTSWSA-N 354.884 3.939 0 40 FHAB O=C(NCC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccccc2)CC1 7572411 IPKPYLUXNMCNEM-UHFFFAOYSA-N 353.510 3.735 0 40 FHAB CCOc1ccc(-c2ncncc2-c2ccc(OC)c(OC)c2)c(O)c1 13121919 SPBHEVCDMWUUOY-UHFFFAOYSA-N 352.390 3.932 0 40 FHAB CCc1nccn1CC1CN(C(=O)Nc2cccc(C(F)(F)F)c2)C1 1890009497 HFVBXKNAPSEYGR-UHFFFAOYSA-N 352.360 3.628 0 40 FHAB O=C(CCn1cnc2c([nH]c3ccccc32)c1=O)Nc1ccc(Cl)cc1 35423839 XLQJFGUEEMWUPI-UHFFFAOYSA-N 366.808 3.560 0 40 FHAB CN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccccc4Cl)ccc1c23 8715480 XZIKXQPZLCRARC-UHFFFAOYSA-N 372.833 3.884 0 40 FHAB Cc1nc2sc([C@H](c3cccc(F)c3)N3CCC[C@@H](C)C3)c(O)n2n1 23157335 MSZYVBDUAHETNH-ABAIWWIYSA-N 360.458 3.765 0 40 FHAB C[C@@H](Sc1nnc(-c2cccs2)o1)c1nnnn1-c1ccccc1 40089655 FLUGGLPMNIPXKO-SNVBAGLBSA-N 356.436 3.627 0 40 FHAB CCC[C@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 40005256 MLGUWQPRVGKFGF-BEFAXECRSA-N 359.491 3.851 0 40 FHAB CC(C)c1noc(CCCC(=O)Nc2cccc(N3CCCCC3=O)c2)n1 40133635 AZXJOUZQMAETEQ-UHFFFAOYSA-N 370.453 3.671 0 40 FHAB Cn1cc(CCNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cn1 40135651 WGHHENBFTPNYKW-UHFFFAOYSA-N 374.419 3.747 0 40 FHAB Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)c2ccc(C)c(C)c2)c1 28699115 HEWVANXIDMRCAC-HNNXBMFYSA-N 352.463 3.951 0 40 FHAB COc1ccc(CNC(=O)Cc2csc(Cc3ccccc3)n2)cc1 31482642 CETYENQRTHHJDR-UHFFFAOYSA-N 352.459 3.601 0 40 FHAB COc1cc(OC)c(NC(=O)CNc2cc(C)ccc2OC)cc1Cl 11162550 HRQQDZKBHCJKHW-UHFFFAOYSA-N 364.829 3.725 0 40 FHAB CC[C@@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3ccc(C)cc3)N2C1=O 2487188 QUDMIHMBCSZIBD-DOTOQJQBSA-N 372.490 3.985 0 40 FHAB O=C(c1cc2cc(Cl)ccc2o1)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 100787346 KEXCLHRVBNGURS-TZMCWYRMSA-N 368.820 3.507 0 40 FHAB CCOC(=O)CSc1nnc(-c2cccnc2)n1-c1cccc(Cl)c1 872709 SSKWIYCWWZKSNW-UHFFFAOYSA-N 374.853 3.638 0 40 FHAB CC1=C(C(=O)Nc2ccc(Cl)c(C(=O)OC(C)C)c2)SCCO1 1492540 FMQGUMRNTBJHEA-UHFFFAOYSA-N 355.843 3.839 0 40 FHAB in-vivo COC(=O)[C@@]1(Cc2ccc3c(c2)CCC3)Cc2ccc3c(c2[C@@H]1O)CCC3 1646170 OWCFGVVLNAWNMG-UPVQGACJSA-N 362.469 3.656 0 40 FHAB CCCS(=O)(=O)N1CCN=C1SCc1ccc(Cl)cc1Cl 2711849 NMJDFIUUMQSGKV-UHFFFAOYSA-N 367.323 3.638 0 40 FHAB CN(C(=O)c1ccccc1NC(=O)NC1CCC(O)CC1)C1CCCCC1 83855612 HSCVLXFNHBFLHO-UHFFFAOYSA-N 373.497 3.516 0 40 FHAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 4884362 DBFKMRRBTDLHRF-UHFFFAOYSA-N 372.490 3.521 0 40 FHAB CCCCc1ccc(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 6323663 KBPSSTSKGMIMRO-INIZCTEOSA-N 374.506 3.822 0 40 FHAB COc1cc(OC)cc(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c1 6380581 WPAJOHOSVUBDRX-UHFFFAOYSA-N 358.434 3.646 0 40 FHAB C[C@@H](OC(=O)c1cnc(Cl)c(Cl)c1)C(=O)N[C@H]1CCCC[C@H]1C 6643241 YXZMCYKWMPWFIF-BREBYQMCSA-N 359.253 3.629 0 40 FHAB COc1ccc(S[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1 7190880 OZNJGWHHRLQLPF-INIZCTEOSA-N 356.491 3.525 0 40 FHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(Cl)cc1F 8328033 SRPHNXALOJJPNM-UHFFFAOYSA-N 367.760 3.535 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 11743953 GIKGXDGDXVATIA-INIZCTEOSA-N 352.434 3.836 0 40 FHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nc3cc(C)ccc3[nH]2)cc1 2639914 PRESRZLIUMKPCZ-LBPRGKRZSA-N 368.462 3.949 0 40 FHAB Cc1ccc(NC(=O)CSc2cc(N3CCCCC3)ncn2)cc1F 21657942 ACICZFAGJQYHLF-UHFFFAOYSA-N 360.458 3.645 0 40 FHAB O=C(Cc1ccccc1F)NCc1cccc(COCc2ccco2)c1 32915075 VNHWMONIASOMQU-UHFFFAOYSA-N 353.393 3.994 0 40 FHAB Cc1cc(C)n2c(SCc3nnc(-c4ccc(Cl)cc4)o3)nnc2n1 2655298 KJKLULHVEODTKV-UHFFFAOYSA-N 372.841 3.737 0 40 FHAB CC(=O)c1ccc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 2629663 CXEIDFGCZFVEOO-UHFFFAOYSA-N 352.434 3.897 0 40 FHAB Cc1cccc(NC(=O)CNc2ccccc2C(=O)NCc2ccccc2)c1 7977825 VPABJJGBDDOOHC-UHFFFAOYSA-N 373.456 3.976 0 40 FHAB COc1ccccc1N/C=C\c1nnnn1-c1ccc(Br)cc1 100662077 QIYSJPQXIIHWSJ-KHPPLWFESA-N 372.226 3.516 0 40 FHAB Cc1noc2nc(-c3cccs3)cc(C(=O)NCCOC3CCC3)c12 81239664 BQLGSGASZRRKPC-UHFFFAOYSA-N 357.435 3.559 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)CN1CCN(Cc2ccsc2)CC1 22782985 NVWNKPDFUYXWTI-UHFFFAOYSA-N 371.550 3.936 0 40 FHAB COc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1OC1CCCC1 24929420 GRYHLIMVFWQXQY-UHFFFAOYSA-N 355.390 3.998 0 40 FHAB COc1ccc(NCC(=O)Nc2ncc(Cc3ccccc3F)s2)cc1 2887703 WUAIYHWKBUXQCN-UHFFFAOYSA-N 371.437 3.932 0 40 FHAB Fc1ccc(NC(=S)N2CCN(Cc3cccs3)CC2)c(F)c1 24600886 BDGDRJFOTHAJAR-UHFFFAOYSA-N 353.463 3.541 0 40 FHAB Cc1cc(C)nc(NC2=N[C@H]3CCCC[C@H]3N2C(=O)Nc2ccccc2)n1 1311443 CXVWRNKFISPFTL-DLBZAZTESA-N 364.453 3.720 0 40 FHAB O=C(Cc1ccc2c(c1)OCCCO2)Nc1nc(-c2ccccn2)cs1 61720400 HQBRNTRUBJJINF-UHFFFAOYSA-N 367.430 3.548 0 40 FHAB C[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H](c1ccccc1)N1CCOCC1 25329480 OBNKGUWRXYIFFA-DNVCBOLYSA-N 358.869 3.532 0 40 FHAB Cc1nc(C)n([C@H](C)CC(=O)N[C@H]2[C@H]3CCCC[C@H]3[C@@H]2c2ccccc2)n1 60016519 PUBWDZHSCNWRTH-XXXODOGBSA-N 366.509 3.935 0 40 FHAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)C1(C)C 26414674 CTAFCQARRCIZOI-WDYCEAGBSA-N 370.493 3.772 0 40 FHAB CCN(CC)c1ccc(NC(=O)CN2CCC[C@H](C(F)(F)F)C2)cc1 57352394 GDVJIOMXUTVJAY-AWEZNQCLSA-N 357.420 3.746 0 40 FHAB CCCN1C(=O)c2ccccc2N[C@@H]1c1cc2c(cc1OC)C[C@H](C)O2 26757136 JTJPOSAMBINYLX-RBZFPXEDSA-N 352.434 3.995 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2cnnc3ccccc23)c1 12592945 VYLBWQOWPSXYJQ-ZDUSSCGKSA-N 351.431 3.952 0 40 FHAB CCC[C@@H](C)NC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 27463410 BITLTGANUZSNSZ-NOZJJQNGSA-N 360.401 3.813 0 40 FHAB Cc1cc(-c2noc(CCC(=O)N3CCn4cccc4[C@H]3C)n2)ccc1F 58167571 NAWDSHQMJKUSOH-CQSZACIVSA-N 368.412 3.522 0 40 FHAB CCOc1ccc(NC(=S)NCCc2ccc(OC)c(OC)c2)cc1 3180628 CJGQIRZLGKARBR-UHFFFAOYSA-N 360.479 3.632 0 40 FHAB O=C(O)c1c(F)cccc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 58381519 HCBSOQYQAUODIA-CMDGGOBGSA-N 355.774 3.590 0 40 FHAB Fc1ccccc1-c1nn2c([C@H]3COc4ccccc4O3)nnc2s1 2205841 HEHZZPSUHDWOEU-CQSZACIVSA-N 354.366 3.504 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)Nc1ccnn1Cc1ccc(C)cc1 28292221 ZVOIGABMEOXYHH-MRXNPFEDSA-N 365.433 3.654 0 40 FHAB O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCc2ccccc2C1 8132590 VLCCZKOFZHXPBI-UHFFFAOYSA-N 359.344 3.592 0 40 FHAB Cc1ccc(-c2noc(COC(=O)c3cncc(Br)c3)n2)cc1 10864126 QYBBPVKBGDHTCK-UHFFFAOYSA-N 374.194 3.560 0 40 FHAB Cc1sc(-n2c(C)ccc2C)c(C(=O)N2CCC3(CC2)OCCO3)c1C 45360537 VCQTZBAKAYUJAP-UHFFFAOYSA-N 374.506 3.752 0 40 FHAB O=C1OCC[C@@H]1Sc1nnc(-c2ccccc2F)n1C1CCCCC1 3292065 AFMAZTSZKJBAET-HNNXBMFYSA-N 361.442 3.997 0 40 FHAB COc1cc(N[C@@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(OC)cc1Cl 12635333 QXCREYCAKAGJPB-XQQFMLRXSA-N 354.878 3.662 0 40 FHAB Cc1nc(SCC(=O)Nc2ccnn2C2CCCC2)c2ccccc2n1 8156363 GNKRTVLQZPODJL-UHFFFAOYSA-N 367.478 3.981 0 40 FHAB CCCN1C(=O)N[C@@H](c2ccccc2C(F)(F)F)C(C(=O)OC)=C1C 12766580 BQMSEGRKHXOABV-AWEZNQCLSA-N 356.344 3.629 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCc1nc2ccccc2[nH]1 48299844 XAIOFZVSVUDDFI-UHFFFAOYSA-N 359.433 3.937 0 40 FHAB CC(C)CC[C@@H](C)NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 12812396 HUACFOZBJJCYMV-OAHLLOKOSA-N 355.482 3.677 0 40 FHAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 3547963 YJSQIYLOIOPVRA-UHFFFAOYSA-N 372.490 3.668 0 40 FHAB COC(=O)CSc1nnc(-c2csc3c2CCCC3)n1C(C)C 17072973 WKFFPJDOCUNQCO-UHFFFAOYSA-N 351.497 3.731 0 40 FHAB Cc1nn(C)c(C)c1CN(C)Cc1csc(-c2ccc3c(c2)OCO3)n1 17075950 XFCNYFKUNQJFIY-UHFFFAOYSA-N 370.478 3.521 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)N[C@@H]2CCCc3ccccc32)o1 6079028 IUKFWOIHOJKPEF-MRXNPFEDSA-N 369.446 3.924 0 40 FHAB COC(=O)c1ccc(NC(=O)Cc2csc(-c3cccs3)n2)cc1 17335749 UZJWTOZMYGVTTP-UHFFFAOYSA-N 358.444 3.839 0 40 FHAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cn2ccccc2n1 5192935 KMXJTMKHQPKFCJ-UHFFFAOYSA-N 372.432 3.572 0 40 FHAB CCCCNC(=O)N(O)[C@@H]1N(CCCC)C(=O)N(C2CCCC2)C1(C)C 5249350 IHXYKFLAUYPIGB-INIZCTEOSA-N 368.522 3.772 0 40 FHAB COc1ccccc1OCC(=O)Nc1nc2c(F)cc(F)cc2s1 6342853 JAAWKVPWEYFNOP-UHFFFAOYSA-N 350.346 3.601 0 40 FHAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccccc2C(F)(F)F)[C@@H]1C 5676906 OGPVIWQXMCNQCZ-LALPHHSUSA-N 357.372 3.803 0 40 FHAB COc1cc(C(=O)O[C@@H](C)CN2[C@@H](C)CCC[C@H]2C)cc(OC)c1OC 5720815 IFISOMHXZPOZTF-ZNMIVQPWSA-N 365.470 3.521 0 40 FHAB COc1ccc([C@H]2C[C@H](c3ccc(F)cc3)n3ncnc3N2C(C)=O)cc1 4816618 PIONEWNMTBYKTG-RTBURBONSA-N 366.396 3.513 0 40 FHAB O=C(CC1(C(=O)O)CCCCCC1)Nc1cccc(N2CCCC2=O)c1 8745863 SZBZCVLANYXRJG-UHFFFAOYSA-N 358.438 3.567 0 40 FHAB COc1cccc(Cn2cnc3c(sc4nc(C)cc(C)c43)c2=O)c1 7256046 FVRBJOMKPBESTF-UHFFFAOYSA-N 351.431 3.680 0 40 FHAB COc1ccc(CNC(=O)Cc2csc(-c3ccc(C)cc3)n2)cc1 7667297 DYPDTOJDFNAKBT-UHFFFAOYSA-N 352.459 3.986 0 40 FHAB O=C(COC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1cccc(Cl)c1 7786704 KUENLASXGIGOBH-GOSISDBHSA-N 374.820 3.938 0 40 FHAB COc1ccc(-c2nc(CC(=O)N3CCCCCC3)cs2)cc1OC 7782870 KFCXVJJWKSCGCN-UHFFFAOYSA-N 360.479 3.772 0 40 FHAB Cc1cccc(NC(=O)NC(=O)CSc2ncnc3sccc23)c1C 9690298 GGTZAVYUXWRMPZ-UHFFFAOYSA-N 372.475 3.749 0 40 FHAB O=C(Nc1ccccc1)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccco1 96114196 NWFPLVSYMQARTK-FXAWDEMLSA-N 373.364 3.918 0 40 FHAB biogenic COc1ccc(Cc2nnc3sc(-c4c[nH]c5ccccc45)nn23)cc1 9577134 RKOUYQXMYQENKM-UHFFFAOYSA-N 361.430 3.934 0 40 FHAB CCOc1ccc(-c2nnc(NCCCn3nc(C)cc3C)s2)cc1 28244543 QTTQOPQKGOILAN-UHFFFAOYSA-N 357.483 3.919 0 40 FHAB CCCCCCOc1ccc(CNc2cccc(S(N)(=O)=O)c2)cc1 97236805 SXGIUSKDQYLAPW-UHFFFAOYSA-N 362.495 3.905 0 40 FHAB O=S(=O)(N[C@@H](c1cccs1)C1CCCC1)c1ccc2c(c1)CCO2 84436951 NDGKBLIDBXFZAK-GOSISDBHSA-N 363.504 3.893 0 40 FHAB O=C(O)[C@H]1CN[C@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)S1 408980064 UIGVPKRHTLEJMO-MSOLQXFVSA-N 356.422 3.617 0 40 FHAB COc1ccc(CN(C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(OC)c1 95457007 WTEDKEBKTKQMJS-INIZCTEOSA-N 364.486 3.535 0 40 FHAB O=C(NCc1ccc(F)cc1C(F)(F)F)c1ncoc1[C@@H]1CCCO1 78730586 BKFCBFKKQVGIAQ-LBPRGKRZSA-N 358.291 3.614 0 40 FHAB O=C(CSCc1c(Cl)cccc1Cl)NCCCn1ccnc1 408562573 BSYCELUOEUWJRG-UHFFFAOYSA-N 358.294 3.630 0 40 FHAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccccc3C(=O)OC(C)C)C(=O)[C@H]21 408623922 STGOAENVRHAPMI-OHDICMOHSA-N 365.429 3.510 0 40 FHAB COc1cccc(C2(F)CCN(Cc3cnn(CC(F)F)c3)CC2)c1 513460818 IJBOQIHXBZYOCG-UHFFFAOYSA-N 353.388 3.618 0 40 FHAB Cc1ccc(-c2c(C)s/c(=N\S(=O)(=O)c3ccccc3)n2C)cc1 409206135 HSMYROHBAFYLML-HNENSFHCSA-N 358.488 3.660 0 40 FHAB COCCN1C(=O)c2n[nH]c(-c3ccco3)c2[C@H]1c1ccc(C(C)C)cc1 35170103 KBTLMJPRTNCTQQ-HXUWFJFHSA-N 365.433 3.985 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2 1530467640 CBQZXNWTRQTZCD-UHFFFAOYSA-N 357.763 3.991 0 40 FHAB CC[C@H](Oc1ccc(C)cc1)C(=O)N(C)Cc1nc(-c2cccs2)no1 219601241 MOBNGUJBBKKYJR-HNNXBMFYSA-N 371.462 3.923 0 40 FHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCc2nc(-c3ccccc3)no2)c1 219303732 KHSQRZXBHIRSMD-INIZCTEOSA-N 365.433 3.746 0 40 FHAB CC(C)[C@H](NC(=O)c1ccc2c(c1)OCCCO2)c1nc2ccccc2[nH]1 33544165 IWUHGQBOUWUCKQ-IBGZPJMESA-N 365.433 3.851 0 40 FHAB Cc1nccn1-c1cccc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 72378959 TYFWIKJJHWGIJD-HXUWFJFHSA-N 374.488 3.915 0 40 FHAB Cc1nc(C)n(C[C@H](C)C(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)n1 72390293 FIWWSCHZZAXDIL-NSHDSACASA-N 373.457 3.741 0 40 FHAB CC(C)CCNc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1 217506118 NKCKPUMIKGTJSA-UHFFFAOYSA-N 362.451 3.644 0 40 FHAB N[C@@H](c1ccc(Br)cc1)[C@@H](N)c1ccc(Br)cc1 34256742 XURRKKYAGFWNPT-KBPBESRZSA-N 370.088 3.911 0 40 FHAB NNc1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1 72229756 PXZAZZZSRKKSLR-UHFFFAOYSA-N 363.240 3.597 0 40 FHAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 222859972 QRWRVJYRODDTMA-OALUTQOASA-N 363.490 3.650 0 40 FHAB CCOc1cccc(N(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)c1 224967516 YHSKUYSNNVNOTA-UHFFFAOYSA-N 355.843 3.572 0 40 FHAB CCCc1ccc(S(=O)(=O)NCc2ccc(CN(C)C(C)C)cc2)cc1 48310184 PRZQXRSIOQKISH-UHFFFAOYSA-N 374.550 3.958 0 40 FHAB CCOc1ccc(NS(=O)(=O)c2cc3c(cc2OC)CCCC3)cc1 225645302 UODTZHFHUCEBOM-UHFFFAOYSA-N 361.463 3.774 0 40 FHAB COc1ccc(C2(NC(=S)Nc3cccnc3)CCCC2)cc1OC 225873943 KOKPPSSYWMWHRT-UHFFFAOYSA-N 357.479 3.855 0 40 FHAB O=C(Cc1ccccc1Cl)OC1CN(c2nc3ccccc3s2)C1 75166596 ICRVXINXTXKLIM-UHFFFAOYSA-N 358.850 3.924 0 40 FHAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC)c(C(=O)OCC)c1 225799808 HHTVSFYSXMXOGR-LJQANCHMSA-N 351.443 3.796 0 40 FHAB Cc1ccc(CNC(=O)[C@H](C)Sc2ccc(Br)cn2)cc1 45025927 RQBJDGGVBOAVML-LBPRGKRZSA-N 365.296 3.950 0 40 FHAB COc1ccc(CN2CC[C@]3(C2)C(=O)N(CC2CC2)c2ccccc23)cc1 96100330 LDBSWOLVSXXEFB-HSZRJFAPSA-N 362.473 3.596 0 40 FHAB Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1C 231427599 QFSWPTNPFRCRDQ-QWRGUYRKSA-N 360.317 3.733 0 40 FHAB Cc1nc(C(=O)NCC2(c3cccc(Br)c3)CCC2)c(C)o1 580147765 UEIRVOJXFAMBPB-UHFFFAOYSA-N 363.255 3.906 0 40 FHAB Cc1ccc(CN2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)s1 248113448 RPOKHDYDPWYAEF-MISYRCLQSA-N 358.507 3.648 0 40 FHAB O=C(c1cccc2ncccc12)N1CCC[C@@H](c2ccc3cn[nH]c3n2)C1 257314575 UXOCSFSIPIKWAX-OAHLLOKOSA-N 357.417 3.526 0 40 FHAB O=C(NCCn1cc(-c2ccccc2)cn1)NCc1ccc(Cl)cc1 253471861 GGHVFGMVICXREN-UHFFFAOYSA-N 354.841 3.703 0 40 FHAB CC(C)[C@H](O)[C@@H](NC(=O)C[C@H](O)c1ccc(Cl)cc1)c1ccccc1 1118793592 XZGPQWUFFVGQDT-IHPCNDPISA-N 361.869 3.638 0 40 FHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1c2c(nn1C)CSC2 604419509 BTAPRQPQGIZQEM-UHFFFAOYSA-N 374.466 3.990 0 40 FHAB O=C1C[C@H](c2nc(-c3ccc(F)c(F)c3)no2)CN1CCc1ccccc1 109535696 FLSLMDUCGRSICD-HNNXBMFYSA-N 369.371 3.573 0 40 FHAB COC(=O)c1cnc(NC(=O)c2sc(-c3ccc(C)o3)nc2C)s1 96812216 JSTGWDRBIYWLPD-UHFFFAOYSA-N 363.420 3.515 0 40 FHAB COc1ccccc1N(Cc1ccccn1)S(=O)(=O)c1ccc(F)cc1 95350396 BKEYDGXXEBMOLY-UHFFFAOYSA-N 372.421 3.625 0 40 FHAB Nn1c(SCc2ccccc2OC(F)F)nnc1-c1ccccc1F 11007126 XBDNRQNJIGCWCL-UHFFFAOYSA-N 366.368 3.692 0 40 FHAB O=S(=O)(NCC1(c2ccc(F)cc2)CC1)c1ccc2c(c1)CCCC2 11901922 LJBDGAFWWCUIMI-UHFFFAOYSA-N 359.466 3.715 0 40 FHAB COc1cc([C@@H]2Nc3cc(Cl)ccc3C3=NCCN32)cc(OC)c1OC 12188515 DAIKHWDOFCBERT-GOSISDBHSA-N 373.840 3.552 0 40 FHAB COc1ccc([C@@H](NC(=O)c2ccnn2C(F)F)c2ccccc2)cc1 19553364 DZYXQPMDAZMYFK-KRWDZBQOSA-N 357.360 3.806 0 40 FHAB CN(CCC(=O)Nc1nc(-c2ccccn2)cs1)c1ccc(F)cc1 19655184 ZDRQDWUSSDDQLX-UHFFFAOYSA-N 356.426 3.809 0 40 FHAB CC(C)(C(=O)N1CCC[C@@](C)(C(=O)NC2CCCC2)C1)c1ccc(F)cc1 19746776 ROBHFLDMEXCTBP-JOCHJYFZSA-N 374.500 3.791 0 40 FHAB Cc1cccc(OCC(=O)N2CCN(Cc3cccc4ccccc34)CC2)c1 19842032 CKQQCWPITQFKQV-UHFFFAOYSA-N 374.484 3.871 0 40 FHAB CN(C)CCN(C(=O)/C=C/c1ccccc1)c1nc2ccccc2s1 4585271 DROZUAISVYINIC-OUKQBFOZSA-N 351.475 3.904 0 40 FHAB COc1ccc(NC(=S)NC(=O)c2cccc(C)c2OC)cc1Cl 408623762 RWHHMWVPBWFXEY-UHFFFAOYSA-N 364.854 3.792 0 40 FHAB COc1cc(NC(=O)COc2ccc(C)cc2C)cc2sc(N)nc12 226312410 CZRLLQDLHYSMFS-UHFFFAOYSA-N 357.435 3.521 0 40 FHAB Cc1ccc(CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)cc1 2726341 ZQXRQOADFBWIKB-GOSISDBHSA-N 373.250 3.725 0 40 FHAB COc1ccc(CN2CCC(c3nc(-c4ccncc4)no3)CC2)cc1F 1888890138 WORAIVIOPARLNG-UHFFFAOYSA-N 368.412 3.659 0 40 FHAB Fc1ccc2c(N3CCN(c4nc5ccccc5s4)CC3)ncnc2c1 1889020538 PYRUFWXSQDRURT-UHFFFAOYSA-N 365.437 3.705 0 40 FHAB COCc1nnc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)s1 1903880 UFYVIHSQFWWCLH-UHFFFAOYSA-N 363.483 3.780 0 40 FHAB COC(=O)C1=NN(c2ccc(OC)cc2)[C@@]2(Nc3ccccc3S2)S1 3616027 PNZBHDGDDYMDEJ-QGZVFWFLSA-N 373.459 3.564 0 40 FHAB Cc1ccn2c(=O)nc(SCc3ccc(Cl)c(Cl)c3)nc2c1 4503973 MVGUTDAZTJFTJV-UHFFFAOYSA-N 352.246 3.997 0 40 FHAB CCCCNC(=O)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1 16837730 PCADJUDGTMQXLP-UHFFFAOYSA-N 366.874 3.899 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)NCc1ccc([C@@H](O)c2ccccc2)s1 207969744 FLYWJIDLWGZLIL-YWZLYKJASA-N 367.470 3.914 0 40 FHAB Cc1noc(C)c1CN1CCC(COc2cccc(C(F)(F)F)n2)CC1 585531961 JDSSVXCJVZFIQM-UHFFFAOYSA-N 369.387 3.996 0 40 FHAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2ccc(C)cc2Cl)c1 7506879 ZYHMIXGFCDTRIX-VQHVLOKHSA-N 359.809 3.852 0 40 FHAB Cc1ccc2oc(=O)cc(CN3CCN(C/C=C/c4ccccc4)CC3)c2c1 20412524 CFFPGBOLEQCWSR-VMPITWQZSA-N 374.484 3.932 0 40 FHAB Cn1c(=O)n(CCC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc21 11327697 RCCHHTGEPBCCTD-UHFFFAOYSA-N 364.232 3.676 0 40 FHAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 1060456 SOZNIHDGYDUFRE-UHFFFAOYSA-N 373.655 3.759 0 40 FHAB CC1CCN([C@@H](c2ccccc2)c2nnnn2CCc2ccccc2)CC1 1330474 PJXWRIMXWLJDNS-NRFANRHFSA-N 361.493 3.737 0 40 FHAB Cc1cc2ncn(S(=O)(=O)c3cccc(C(F)(F)F)c3)c2cc1C 1330477 XVDKKBOSOYZHKJ-UHFFFAOYSA-N 354.353 3.909 0 40 FHAB CCOC(=O)c1sc(NC(=O)CCCOc2cccc(C)c2)nc1C 1773772 VRFWAEHLYSMQIJ-UHFFFAOYSA-N 362.451 3.734 0 40 FHAB Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1Cl 3518709 PZHAVELROCUDBI-UHFFFAOYSA-N 353.809 3.506 0 40 FHAB CCOCc1cn(CC(=O)c2ccc(-c3ccccc3)cc2)c(C)nc1=N 3901722 JQLLKRHFWKTINL-UHFFFAOYSA-N 361.445 3.757 0 40 FHAB N=c1c2c(ncn1Cc1ccccc1)Oc1cc(O)ccc1[C@H]2c1ccco1 101350218 LBVRCRMHGHENMW-IBGZPJMESA-N 371.396 3.995 0 40 FHAB Cc1nc2cc(F)ccc2n1C1CCN(CC(=O)Nc2ccccc2)CC1 4618642 OHYKWCWNAGXDMJ-UHFFFAOYSA-N 366.440 3.759 0 40 FHAB CCOC(=O)COc1cc2c(cc1[C@@H](CC)c1ccc(OC)cc1)OCO2 6002072 RVMFYVRFITYLTQ-INIZCTEOSA-N 372.417 3.908 0 40 FHAB Cc1cccn2cc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc12 6604442 DWDQWOAUZIMNCL-UHFFFAOYSA-N 366.402 3.714 0 40 FHAB Cc1ccc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1S(C)(=O)=O 55865142 YDFFAKHZRLMLBU-QGZVFWFLSA-N 361.438 3.515 0 40 FHAB Cc1cc(=O)c(C(=O)NC2CCCCCC2)nn1-c1ccc(Cl)cc1 8061122 WDZPFMVFVJNDLX-UHFFFAOYSA-N 359.857 3.647 0 40 FHAB CC(=O)c1cc(CCC(=O)OCc2nc3ccccc3nc2C)oc1C 32830309 SYXJPYTUDPQMEZ-UHFFFAOYSA-N 352.390 3.718 0 40 FHAB COc1ccc(CCNC(=O)Nc2cnc3ccccc3c2)cc1OC 32909514 ILWRWTLIFFMAJR-UHFFFAOYSA-N 351.406 3.616 0 40 FHAB C[C@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1Cl 2617501 SAWHLMQSYLRJAS-LBPRGKRZSA-N 367.854 3.508 0 40 FHAB COc1ccc(CCNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 20488454 YQUQBLWCFQLVEO-GOSISDBHSA-N 366.505 3.900 0 40 FHAB O=C(c1cc2ccccc2oc1=O)N1CCC(c2nc3ccccc3o2)CC1 11999878 UTMINIKODQTLIQ-UHFFFAOYSA-N 374.396 3.954 0 40 FHAB Fc1cc(F)cc(-c2oncc2-c2nnnn2-c2ccc(Cl)cc2)c1 721424 MECMRHXOHOXRMQ-UHFFFAOYSA-N 359.723 3.916 0 40 FHAB CCCn1c(SCC(=O)Nc2nc(C)no2)nc2cc(Cl)ccc21 54659980 MABFPZVKXCOWMF-UHFFFAOYSA-N 365.846 3.522 0 40 FHAB CSc1nc(C)c(CC(=O)Nc2ccc(C(=O)OC(C)C)cc2)s1 22887616 UDXBFCLBNUDCRF-UHFFFAOYSA-N 364.492 3.920 0 40 FHAB O=C1CCSc2ccc(C(=O)Nc3ccc(OC(F)F)cc3)cc2N1 22881357 LIEVVQIZKSKQGM-UHFFFAOYSA-N 364.373 3.975 0 40 FHAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N1CCN(c2ccccc2)CC1 113970325 VDOHALUTAURLAI-HXUWFJFHSA-N 352.478 3.810 0 40 FHAB O=C(Nc1nc[nH]n1)c1ccc(CSc2nc3ccccc3s2)cc1 23143331 GBCIYYWPTOZQPG-UHFFFAOYSA-N 367.459 3.959 0 40 FHAB C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccccc2N(C)C)C1 54406196 VKBNHXRZQXTXJM-AEFFLSMTSA-N 352.482 3.710 0 40 FHAB CC(C)[C@@H]1Nc2ccccc2C(=O)N1CC(=O)Nc1ccc2[nH]ccc2c1 61717906 VEZLSLYJKXQTAS-HXUWFJFHSA-N 362.433 3.656 0 40 FHAB O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc2[nH]nnc2c1 24030995 RAMVEXFVIMYYTM-UHFFFAOYSA-N 363.402 3.524 0 40 FHAB C[C@@H](O)c1nc2ccccc2n1C[C@@H](O)COc1ccc(C(C)(C)C)cc1 12507040 ADRSLLHMZWTRNL-NVXWUHKLSA-N 368.477 3.827 0 40 FHAB Cc1ccc(-n2nc(C)c(NC(=O)c3cnn4c(C)cc(C)nc34)c2C)cc1 24466255 GHVMUWGRAHJXEM-UHFFFAOYSA-N 374.448 3.709 0 40 FHAB COCc1c(C(=O)NC[C@H](c2ccsc2)N(C)C)oc2ccccc12 25329245 IMCDLHLYGVMKJG-MRXNPFEDSA-N 358.463 3.673 0 40 FHAB COC[C@@H](C)N[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 21820020 GNJNNUYVSNVKER-ACJLOTCBSA-N 362.857 3.653 0 40 FHAB COc1cc(NC(=O)c2cc(OC)ccc2Br)cc(OC)c1 7969707 LIPXMSJSHWKHES-UHFFFAOYSA-N 366.211 3.727 0 40 FHAB COc1ccc(C(=O)Nc2cc(C(=O)O)cc(Cl)c2OC)cc1Cl 20142254 OMUKKLBEHXNPFD-UHFFFAOYSA-N 370.188 3.961 0 40 FHAB C[C@H](C1CC1)N(C)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 58191912 UFNPLQOOUIAGRW-CYBMUJFWSA-N 357.479 3.669 0 40 FHAB CCc1sc(C(=O)Nc2ccc(NS(=O)(=O)CC)c(C)c2)cc1C 58130544 FRISCKJRRYEFHH-UHFFFAOYSA-N 366.508 3.941 0 40 FHAB O=S(=O)(c1ccc2c(c1)CCO2)N(C1CC1)[C@@H]1CCCc2ccccc21 58247503 FMJUPWMTWJJTIR-HXUWFJFHSA-N 369.486 3.852 0 40 FHAB COc1cc([C@@H](C)NC(=O)N(C)Cc2cscn2)ccc1OC(C)C 58363881 WJTRGFAZBLFQIK-CYBMUJFWSA-N 363.483 3.842 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)COc1ncnc2ccccc12 3323589 JRDLQZNSSBITFN-UHFFFAOYSA-N 357.797 3.618 0 40 FHAB COc1ccc(C(C)=O)cc1C[C@@H](C(=O)c1ccc(C)c(C)c1)N(C)C 3339983 BZSMWPDPZNXDIN-FQEVSTJZSA-N 353.462 3.870 0 40 FHAB O=C(NCCc1cccc2cccnc12)c1ccc(NC(=O)C2CC2)cc1 12893449 KXLNCCAFGWCIDP-UHFFFAOYSA-N 359.429 3.556 0 40 FHAB CC[C@H](OC(=O)/C=C/c1cccc2cccnc12)C(=O)Nc1cc(C)on1 12878825 ZIJVADWAOQCFGY-SCOAYWHSSA-N 365.389 3.505 0 40 FHAB C[C@@H]1CCCCN1C(=O)COC(=O)C1c2ccccc2Oc2ccccc21 3453437 IXWAROKZCIPWHM-OAHLLOKOSA-N 365.429 3.868 0 40 FHAB Cc1ccc2c(COC(=O)c3ccc4c(c3)OCCO4)cc(=O)oc2c1C 3429450 CKVFXSKZJQXWLZ-UHFFFAOYSA-N 366.369 3.538 0 40 FHAB Cn1ccc(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)n1 12946877 YKAJUJLGZSAARO-UHFFFAOYSA-N 367.796 3.772 0 40 FHAB CN(Cc1ccc2ccccc2c1)C(=O)CNC(=O)c1ccc(Cl)cc1 12916506 NQVSFOSQPGYPQB-UHFFFAOYSA-N 366.848 3.882 0 40 FHAB C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1ccc(F)cc1Cl 3505512 IBOCETUDCDFCTJ-SECBINFHSA-N 350.806 3.641 0 40 FHAB COCc1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 8124538 JHTJHOFVFIGXPW-HXUWFJFHSA-N 355.434 3.731 0 40 FHAB COc1ccc(Cl)cc1-c1nnc(S)n1-c1cccnc1Cl 13728866 RTWMDJVSJMMRCE-UHFFFAOYSA-N 353.234 3.933 0 40 FHAB CCOC(=O)[C@@H]1CCCN(c2nc(CC)nc3c2oc2ccccc23)C1 5219624 QXTHPIXUOZYZFP-CYBMUJFWSA-N 353.422 3.718 0 40 FHAB Cc1cccc(-n2nnnc2SCc2ccc(-n3ccnc3)cc2)c1C 8707816 UZSPRUCCGFTYDB-UHFFFAOYSA-N 362.462 3.757 0 40 FHAB Clc1ccccc1-n1ncc2c1ncn1c(-c3cccs3)nnc21 5307991 XACYVZKQAUBRGU-UHFFFAOYSA-N 352.810 3.845 0 40 FHAB C[C@@H](NC(=O)CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1)c1ccco1 14171966 UXOWJUMKYQWAMD-UVMWJGKXSA-N 372.425 3.677 0 40 FHAB O=C(Cn1cnc2cc(-c3ccccc3)sc2c1=O)N1CCCCCC1 14160762 PZOKVEYSYYZROE-UHFFFAOYSA-N 367.474 3.528 0 40 FHAB CCOc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc[nH]3)o2)cc1 14158889 NEEDLXGSYVYLJS-NSHDSACASA-N 358.423 3.583 0 40 FHAB CCCn1c(SCc2ccc(C(=O)OC)cc2)nc2ccccc2c1=O 6560681 MOKQHZZMDTYCJG-UHFFFAOYSA-N 368.458 3.885 0 40 FHAB COc1ccc(CCNC(=O)c2cccc(C(F)(F)F)c2)cc1OC 5527317 KRQBBSMRLULVMU-UHFFFAOYSA-N 353.340 3.695 0 40 FHAB O=c1c2sccc2n(Cc2cccc(Cl)c2)c(=O)n1Cc1ccco1 6678823 HHYALVDBXRIGCQ-UHFFFAOYSA-N 372.833 3.568 0 40 FHAB CCOC(=O)c1cc(NCc2ccccc2Cl)ccc1N1CCOCC1 4705480 CEFOSEXBKWTGPR-UHFFFAOYSA-N 374.868 3.965 0 40 FHAB COc1ccc(C(=O)OCc2nc3ccccc3s2)c(OC)c1OC 5630921 LKCZNAIPMNVSQL-UHFFFAOYSA-N 359.403 3.679 0 40 FHAB CCOC(=O)[C@@]1(c2c(C)cc3ccccn23)Sc2ccccc2NC1=O 6787004 YJUITVZDMSPORH-FQEVSTJZSA-N 366.442 3.751 0 40 FHAB O=C(N[C@@H]1CSc2c1nc1ccccc1c2C(=O)O)c1ccccc1 14988596 NYEWZVLCMDPQKE-CQSZACIVSA-N 350.399 3.510 0 40 FHAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccccc1Oc1ccccc1 7136431 AUGNGTKXTPBFRO-UHFFFAOYSA-N 371.396 3.828 0 40 FHAB O=C(O)CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1cccc(Cl)c1 89827793 ITPCDKKAGUXLJZ-KRWDZBQOSA-N 356.809 3.883 0 40 FHAB COCCOc1ccccc1C(=O)N(C)[C@@H](Cc1ccccn1)C(C)(C)C 72307892 FGAKFIKRKBFLDS-FQEVSTJZSA-N 370.493 3.836 0 40 FHAB O=C(Cn1ccc2c(Cl)cccc21)Nc1ccc(Cn2cncn2)cc1 72401069 NECKXYZFPOXPPU-UHFFFAOYSA-N 365.824 3.573 0 40 FHAB Cc1noc(CCNc2ncnc3scc(-c4ccc(F)cc4)c23)n1 95938944 USUOEEXNCXXDQM-UHFFFAOYSA-N 355.398 3.843 0 40 FHAB COc1ccc(O[C@@H](C)C(=O)NCCSCc2ccccc2C)cc1 408703383 QPAJXMCYOHIYPM-INIZCTEOSA-N 359.491 3.821 0 40 FHAB O=C(c1ccsc1)N1C[C@]2(CCN(Cc3ccoc3)C2)c2ncccc21 306125838 DDMDOYMIOFHGLS-HXUWFJFHSA-N 365.458 3.540 0 40 FHAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(N4CCCCC4)o3)C2=O)c1 409242868 WHTGPBFJXGGPKU-QGOAFFKASA-N 365.433 3.671 0 40 FHAB CC(C)(c1ccccc1)c1nc(-c2ccc(S(C)(=O)=O)nc2)cs1 504422989 DJHOBZAYPGSEBT-UHFFFAOYSA-N 358.488 3.935 0 40 FHAB COc1cc(C(=S)NC[C@H]2CCCO2)ccc1OCc1ccccc1 408578173 WKZSFJMYDULKJA-QGZVFWFLSA-N 357.475 3.718 0 40 FHAB Cc1noc2nc(C(C)C)cc(C(=O)/N=c3/[nH]c4ccccc4s3)c12 36353569 IBKFSGNLTINLOP-UHFFFAOYSA-N 352.419 3.939 0 40 FHAB CCOc1ccc(-n2nnc3c2SC[C@]3(O)c2ccc(Cl)cc2)cc1 35682863 AKVFNECWWXZCOM-SFHVURJKSA-N 373.865 3.661 0 40 FHAB COc1ccc2cc([C@@H](C)C(=O)N[C@H](C)c3nnc4ccccn34)ccc2c1 32809151 VLDGTERFZPKGPJ-HUUCEWRRSA-N 374.444 3.872 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N(C)C)nc2C)cc1 72218778 OVFPZHGCPDTFLX-LJQANCHMSA-N 373.522 3.680 0 40 FHAB CCN(CC)C(=O)CN1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 72348747 MNYNWZLXXWVLPU-KRWDZBQOSA-N 369.484 3.936 0 40 FHAB CCc1nc(SCC(=O)NCCc2ccccc2)c2ccccc2n1 35288939 AIABVWCZRJLCLA-UHFFFAOYSA-N 351.475 3.643 0 40 FHAB Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccc(F)cc2)n1 72378395 WLFKNGWANKDBFE-SFHVURJKSA-N 350.397 3.692 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)n2nnc(-c3ccc(Cl)cc3)n2)c1C 31652776 UPLUMYMJBOHPSM-NSHDSACASA-N 371.828 3.585 0 40 FHAB CCCC(CCC)OC(=O)c1snnc1-c1cnc(SC)nc1 223854863 CEDAUWQYACSDMB-UHFFFAOYSA-N 352.485 3.843 0 40 FHAB O=C(Nc1ccc(OC2CSC2)cc1)C1(c2ccccc2)CCOCC1 225931516 YKPGDKQKJFACBC-UHFFFAOYSA-N 369.486 3.868 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)NCc1cccc(C(F)(F)F)c1 223923546 WNISVAHOZYDCMU-GFCCVEGCSA-N 353.340 3.798 0 40 FHAB CCOc1cnc(-c2noc([C@H]3CC(C)(C)Oc4ccccc43)n2)cn1 573704343 XKGIRYDRKXNQAO-ZDUSSCGKSA-N 352.394 3.618 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)NCc1cccc(CN2CCCC2)c1 224626990 YVRIBTFTGGBLFA-FQEVSTJZSA-N 370.468 3.895 0 40 FHAB CCc1cc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)ccc1OC 225686808 YEZUCBKTWQYTNI-UHFFFAOYSA-N 373.396 3.755 0 40 FHAB Cc1noc(C)c1[C@@H]1CC(=O)Nc2c1cnn2Cc1ccc(Cl)cc1 49544343 FAKSMSLVUYWACI-CQSZACIVSA-N 356.813 3.664 0 40 FHAB CN(c1ccccc1)c1ccccc1NC(=O)CCN1CCSC1=O 40122765 NMYIHNAHOMMKNL-UHFFFAOYSA-N 355.463 3.952 0 40 FHAB CCc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc3ccccc3c2)cc1 225052450 YPEMKMZLBUKMFM-UHFFFAOYSA-N 369.442 3.682 0 40 FHAB CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F 222750810 FWNDMGZNRJXIRD-MSOLQXFVSA-N 352.438 3.614 0 40 FHAB Cc1ccc(NC(=O)Nc2cnc(N3CCCC3)nc2N(C)C)cc1Cl 224141984 ASPLFONUZULFSJ-UHFFFAOYSA-N 374.876 3.749 0 40 FHAB COc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cn1 225680491 PCMKGBFZYKUGAH-OAHLLOKOSA-N 357.479 3.987 0 40 FHAB Cn1cc([C@H](O)CNC(=O)c2cc3ccccc3s2)c2ccccc21 225621190 BALXZJGNDUVDRC-QGZVFWFLSA-N 350.443 3.856 0 40 FHAB COc1ccc(C(=O)N(C)Cc2nc(-c3cccs3)no2)cc1Cl 224897953 KIOODGALXPEOAN-UHFFFAOYSA-N 363.826 3.732 0 40 FHAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)s1 223294511 IEWRXRPGSOPLCA-JQFCIGGWSA-N 359.520 3.603 0 40 FHAB C[C@@H]1C[C@H](CC(=O)N2CCC[C@@H](c3nnc(S)n3C)C2)CC(C)(C)C1 195530116 IXDMPSMIAGWLKX-RBSFLKMASA-N 364.559 3.662 0 40 FHAB Cc1noc(C)c1CN1CCOC[C@H]1c1csc(-c2ccccc2)n1 96220420 ZMJUEUCWIHNMKT-SFHVURJKSA-N 355.463 3.988 0 40 FHAB Cc1ccc2nc([C@H]3CCCN(c4ccnc5c4c(C)nn5C)C3)[nH]c2c1 333665406 MGJSZJIHCAPJJS-HNNXBMFYSA-N 360.465 3.845 0 40 FHAB O=C1C[C@@H](c2ccc(O)cc2)c2c(ccc3nn(-c4ccc(F)cc4)nc23)N1 96117246 PJKULKRULGJCTE-INIZCTEOSA-N 374.375 3.739 0 40 FHAB Cc1cc(F)ccc1NS(=O)(=O)c1ccc(Br)cc1F 98073015 CKXAQXZCKXZJSL-UHFFFAOYSA-N 362.195 3.837 0 40 FHAB CCc1cccc(C)c1NC(=O)C1CCN(C(=O)Cc2ccccc2)CC1 243311306 LHVSXDQYEKERQS-UHFFFAOYSA-N 364.489 3.977 0 40 FHAB CN(CC(=O)N(C)c1ccccc1)Cc1csc(Br)c1 53331852 MKQSDRQGVPKQPL-UHFFFAOYSA-N 353.285 3.605 0 40 FHAB O=C(c1ccncc1)N1CCC[C@@]2(CCCN2Cc2cccc(F)c2)CC1 585100696 TWTOOAJMPTWONU-JOCHJYFZSA-N 367.468 3.882 0 40 FHAB Oc1ccccc1N1CCN(Cc2csc(-c3cccs3)n2)CC1 58160097 TXPQYBIJPQAFGZ-UHFFFAOYSA-N 357.504 3.899 0 40 FHAB Cc1ccccc1[C@@H](C)Nc1ncccc1S(=O)(=O)N1CCCCC1 66451966 HRRLKFCFRXIQAW-MRXNPFEDSA-N 359.495 3.738 0 40 FHAB COc1ccccc1CNc1ncc(-c2cc(C)no2)c([C@@H]2CCCO2)n1 12142278 WNURKJVBLAZIFA-KRWDZBQOSA-N 366.421 3.912 0 40 FHAB CCc1ncc(CN(Cc2ccccn2)C2CC(C)(C)NC(C)(C)C2)cn1 12148038 PZPPECAEZJDBOT-UHFFFAOYSA-N 367.541 3.745 0 40 FHAB Cc1ccc(C(=O)NCCc2c[nH]c3cccc(C4(O)CCCC4)c23)cn1 12233927 JGCALMHYEXQUHC-UHFFFAOYSA-N 363.461 3.605 0 40 FHAB O=S(=O)(c1ccc(NCc2ccc(Cl)cc2)nc1)N1CCCCC1 15173674 SDBNTYGBVZQNIZ-UHFFFAOYSA-N 365.886 3.522 0 40 FHAB Cc1ccc2[nH]cc([C@H](O)CN3CCN(c4ccc(F)cc4F)CC3)c2c1 19220562 ZZITWIHZRZVKDX-OAQYLSRUSA-N 371.431 3.610 0 40 FHAB CC(C)CN1CCC[C@@](C[C@@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)O)C1 19447160 HQIOPBLAUQXDNJ-PXNSSMCTSA-N 362.445 3.532 0 40 FHAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc2c(C)ccc(C)c2n1C 19714611 JEKPXIIGKQFZKP-CQSZACIVSA-N 352.482 3.506 0 40 FHAB O=C(Nc1cnn(CC2CCOCC2)c1)c1ccc(C(F)(F)F)cc1 206836706 BGFIMWKHPVBHOI-UHFFFAOYSA-N 353.344 3.581 0 40 FHAB COc1ccc(/C=C/C(=O)N(C)CC(=O)Nc2cc(C)ccc2C)cc1F 8185404 VNPKTVNYTVMWMC-CSKARUKUSA-N 370.424 3.561 0 40 FHAB CCOc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)c(N)c1 226359211 VQLCNADTAQQUDU-UHFFFAOYSA-N 355.221 3.992 0 40 FHAB CC(C)(C)OC(=O)C1(C)CCN(C(=O)c2cnc3c(F)cccc3c2)CC1 592873290 IDOHVPHQXSKIRQ-UHFFFAOYSA-N 372.440 3.958 0 40 FHAB O=S(=O)(NCCc1c[nH]c2ccccc12)c1ccc(Cl)c(Cl)c1 1048721 VHSFCFQOMDPFDY-UHFFFAOYSA-N 369.273 3.996 0 40 FHAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)Cc2c(Cl)cccc2Cl)C1 3246738 BMDRFMOZIARPEY-RYUDHWBXSA-N 358.265 3.584 0 40 FHAB O=C(COc1ccc(Br)cc1CO)Nc1ccccc1Cl 5468233 AFRSEDLQPCZZMO-UHFFFAOYSA-N 370.630 3.612 0 40 FHAB Cc1cc(S[C@@H](C)C(=O)N2CCc3ccccc3C2)nc(C(C)C)n1 16454158 LGULVLYFYFYZJV-HNNXBMFYSA-N 355.507 3.974 0 40 FHAB Cc1nsc(N2CCC(CN(C)c3cc(C(F)(F)F)ccn3)CC2)n1 1889103568 VJAPUDJYEPMSHV-UHFFFAOYSA-N 371.432 3.613 0 40 FHAB O=C(Nc1nnc(-c2ccc3c(c2)OCCO3)o1)c1ccc2ccccc2c1 4264354 AUZWAHCEDRATOF-UHFFFAOYSA-N 373.368 3.913 0 40 FHAB O=C(NCCc1csc2nc(-c3cccs3)nn12)c1cccc(F)c1 5166224 YPSVSMMUUKTXJX-UHFFFAOYSA-N 372.450 3.631 0 40 FHAB O=S(=O)(NC[C@H](c1ccsc1)N1CCCCCC1)c1cccs1 8901139 FQPHEMDHEHXTMQ-OAHLLOKOSA-N 370.565 3.705 0 40 FHAB CCCc1ccc(S(=O)(=O)NCC2CCN(C3CCCC3)CC2)cc1 23127594 LGQSAAMNMZHHBW-UHFFFAOYSA-N 364.555 3.572 0 40 FHAB Cc1cc(C)n(CCNC(=O)c2c(-c3ccccc3Cl)noc2C)n1 44159003 ZHZVZPZPVQAUAL-UHFFFAOYSA-N 358.829 3.547 0 40 FHAB Cn1ncc2c(C(=O)Nc3ccc(Cl)cn3)cc(-c3ccccc3)nc21 36616191 STCDXDUPNQTOQM-UHFFFAOYSA-N 363.808 3.936 0 40 FHAB CC(C)SC(C[C@H](O)[C@@H](O)COC(=O)c1ccccc1)SC(C)C 1593144 ABJDSNOICVLRLJ-HOTGVXAUSA-N 372.552 3.565 0 40 FHAB S=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc(Cl)cc2)CC1 1730965 GGOPKVCFEBBFHX-UHFFFAOYSA-N 360.866 3.566 0 40 FHAB CCCCCCOc1ccc(OC[C@H](O)Cn2nnc3ccccc32)cc1 2060296 QFEXZLKRIFETIG-QGZVFWFLSA-N 369.465 3.830 0 40 FHAB CCCCCCn1c(SCC(N)=O)nnc1-c1ccc(Cl)cc1 3477366 AXCFYWYXJZLXRD-UHFFFAOYSA-N 352.891 3.756 0 40 FHAB CCCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)O[C@@H]1CCC[C@@H]1C 4426842 JWQQUJWYUWFDMB-URKNILKWSA-N 372.465 3.835 0 40 FHAB CN(Cc1ccccc1)C(=O)c1ccccc1C(=O)OCC(=O)C(C)(C)C 6079247 DLFFTKHIVGFZSM-UHFFFAOYSA-N 367.445 3.731 0 40 FHAB Cc1c(NC(=S)NC(=O)c2cccc(OC(C)C)c2)cccc1C(=O)O 6571317 NRXGVDBKMYUGSE-UHFFFAOYSA-N 372.446 3.607 0 40 FHAB CCOC(=O)c1sc(NC(=O)CN(C)[C@H]2CCc3ccccc32)cc1C 29489313 GLCZBYVMJSQZSB-INIZCTEOSA-N 372.490 3.791 0 40 FHAB O=C(CCCc1nc(-c2cccs2)no1)N1CCc2ccccc2C1 32477376 VBAQYZGPILYOLP-UHFFFAOYSA-N 353.447 3.706 0 40 FHAB Cn1ccs/c1=N\C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 21333140 VMALJDYPAKWJFR-YBEGLDIGSA-N 357.049 3.836 0 40 FHAB Cc1ccc(C)c(C(=O)CCC(=O)N2CCN(c3ccccc3C)CC2)c1 8023427 FRHKWWBEZMGNDH-UHFFFAOYSA-N 364.489 3.924 0 40 FHAB CN(C)S(=O)(=O)c1cccc(COc2ccc(Cl)cc2Cl)c1 8314662 WNWQEXUKBGSMMA-UHFFFAOYSA-N 360.262 3.823 0 40 FHAB O=C(OC1CCCCC1)c1ccc(NC(=S)NC(=O)c2ccco2)cc1 8904204 NPVJSHFNQMTIRD-UHFFFAOYSA-N 372.446 3.896 0 40 FHAB NC(=O)c1cc(SC[C@@H](O)c2ccc(Cl)cc2)nc2ccccc12 32907164 XACAIBPRVPKDPM-MRXNPFEDSA-N 358.850 3.813 0 40 FHAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N3CCC[C@@H](O)C3)ccc21 33040241 BUICEAFQOSKHBB-NVXWUHKLSA-N 365.477 3.598 0 40 FHAB Cc1ccc(NC(=O)c2cccc(I)c2)cc1O 683056 RFXUHVNTTYOZLR-UHFFFAOYSA-N 353.159 3.558 0 40 FHAB O=C1C[C@H](c2cccc(Br)c2)c2cc3c(cc2N1)OCCO3 816165 CWEJJALEUQZUMV-GFCCVEGCSA-N 360.207 3.694 0 40 FHAB Nc1nnc(SCC(=O)c2ccc([C@@H]3CC3(Cl)Cl)cc2)s1 9167414 DMTOCVMYDRGMIA-VIFPVBQESA-N 360.291 3.757 0 40 FHAB O=C(NCCCn1cnc2ccccc21)c1ccc(OC(F)(F)F)cc1 12490401 RRNKLEBZYYTQCR-UHFFFAOYSA-N 363.339 3.755 0 40 FHAB C[C@H](NC(=S)NCCc1ccccc1)c1ccc(-n2ccnc2)cc1 12530721 UJEHQYLNEPLRHO-INIZCTEOSA-N 350.491 3.640 0 40 FHAB Cc1ccc(OCC2(O)CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 1403801 INCWDCVEIQTLDN-UHFFFAOYSA-N 359.853 3.695 0 40 FHAB C[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1cccc(Cl)c1 25455240 FLXGOYLBHSYBTJ-AWEZNQCLSA-N 356.853 3.953 0 40 FHAB CCCN(C(=O)c1ccc([S@@](C)=O)cc1)[C@H]1CCc2ccccc2C1 56351795 GWDWTDQWYQCLDN-DFBJGRDBSA-N 355.503 3.834 0 40 FHAB CCn1c(SCC(=O)N(C)c2cccc(C)c2)nc2ccsc2c1=O 57425052 JXOMYOLSWMWXSJ-UHFFFAOYSA-N 373.503 3.541 0 40 FHAB Clc1ccccc1N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 57456052 GVZXZEKCRCCNNP-UHFFFAOYSA-N 352.869 3.848 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)N2CCN(c3ccccc3F)CC2)c1C 20494699 CLUMUKYHJZMUBT-KRWDZBQOSA-N 356.441 3.559 0 40 FHAB Cc1ccc([C@H]2CCCN2Cn2ncc(Cl)c(Cl)c2=O)cc1C 58162464 RWBHJAHXXHJBAX-OAHLLOKOSA-N 352.265 3.962 0 40 FHAB Cc1cccc(N2CCN(C(=O)[C@H]3Cc4ccc(C)cc4S3)CC2)c1 10262526 XTXTUBLMKMNDKP-HXUWFJFHSA-N 352.503 3.669 0 40 FHAB CCCC[C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(N)=O 58308988 RAYDGCXTRBZZCD-INIZCTEOSA-N 359.495 3.648 0 40 FHAB CC(C)N1CC[C@]2(c3ccccc3)CCN(Cc3ccncc3)C(=O)C[C@H]12 306139891 UDMSCPZDEJHFCF-GMAHTHKFSA-N 363.505 3.625 0 40 FHAB O=C(COC(=O)CCc1c[nH]c2ccccc12)NCc1ccc(Cl)cc1 3301112 STKFXIPBMAEQIZ-UHFFFAOYSA-N 370.836 3.614 0 40 FHAB C[C@@H](C(=O)Nc1ccccc1Br)n1cc(Br)cn1 28223927 FJRPHDGTQXBUKZ-QMMMGPOBSA-N 373.048 3.608 0 40 FHAB O=S(=O)(N[C@@H]1CCSc2c(F)cccc21)c1cccc(Cl)c1 12735188 HWFSGZAPFUAGRR-CQSZACIVSA-N 357.859 3.995 0 40 FHAB COC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@@H]1c1c(F)cccc1Cl 12799681 PRVNHBNKIFRNHG-HNNXBMFYSA-N 354.809 3.648 0 40 FHAB O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(-n2cccc2)cc1 48237355 FBTAXIMEMCNUFC-NRFANRHFSA-N 373.456 3.571 0 40 FHAB CCc1ccc(-c2noc(CCC(=O)N[C@@H](C)c3ccncc3)n2)cc1 48276763 MNIDQDBRBUWKTJ-AWEZNQCLSA-N 350.422 3.504 0 40 FHAB O=C(CCC(=O)c1ccccc1)NC[C@H](c1cccs1)N1CCCC1 48312976 JUZRIUNQYHAMTK-QGZVFWFLSA-N 356.491 3.664 0 40 FHAB COc1ccc(CN(C)c2ncnc3sc4c(c23)CCC4)c(OC)c1 3453565 WWYXJHRFLVFZDO-UHFFFAOYSA-N 355.463 3.834 0 40 FHAB COc1cc(CNC(=O)Cc2cccs2)ccc1OCc1ccncc1 48447358 UAVMHKZXUQIVLG-UHFFFAOYSA-N 368.458 3.590 0 40 FHAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)COc2ccc(Cl)cc2C)c1 3609502 NCYKQYZUKVHEJA-UHFFFAOYSA-N 374.868 3.741 0 40 FHAB Cc1sc2nc(SCc3cn4ccccc4n3)n(C)c(=O)c2c1C 8215871 VHYQYTXTEXITPW-UHFFFAOYSA-N 356.476 3.552 0 40 FHAB Cc1cccc(CSCCNC(=O)/C=C/c2ccc3c(c2)OCO3)c1 408922992 DIMSQFSTGWWJOF-SOFGYWHQSA-N 355.459 3.787 0 40 FHAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)OCc1ccccc1Cl 8473803 QXNQMBLLEOZEFJ-UHFFFAOYSA-N 373.257 3.901 0 40 FHAB C[C@H](C(=O)Nc1ccccc1C(F)(F)F)n1cc(Br)cn1 28224039 IWHWAPDQMLWNQC-MRVPVSSYSA-N 362.149 3.864 0 40 FHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(-n2ccnc2)cc1 20046157 AFSVMPJPNZPVIU-HXUWFJFHSA-N 363.461 3.963 0 40 FHAB COc1cc(NC(=O)c2ccccc2OC[C@H]2CCCO2)cc(OC)c1 14017431 GGMSOPCTKUEVIA-OAHLLOKOSA-N 357.406 3.514 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)c1C 14229367 SCACXOICBYIKFH-UHFFFAOYSA-N 364.449 3.567 0 40 FHAB O=C(NCC1(N2CCCCC2)CCCCC1)c1cnn(-c2ccccc2)c1 14227851 HKHRYXACXWIQBV-UHFFFAOYSA-N 366.509 3.791 0 40 FHAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)n2ncnc2N1 4705302 HERWVFJSYHBDCE-QGZVFWFLSA-N 365.824 3.859 0 40 FHAB O=C(Cc1c(Cl)cccc1Cl)NCCc1ccc2c(c1)OCCO2 5638043 ZTPVMSLMZJWTEP-UHFFFAOYSA-N 366.244 3.666 0 40 FHAB Clc1cc(CSc2nncn2-c2ccccc2)cc2c1OCCO2 5702146 LHUVPJAMJVROMF-UHFFFAOYSA-N 359.838 3.984 0 40 FHAB COc1ccccc1[C@H]1C[C@H](c2ccc(C)cc2)N(C(C)=O)c2ncnn21 4816922 HHITXUBJJKDRFG-RTBURBONSA-N 362.433 3.682 0 40 FHAB Cc1cc(C)n2nc(S[C@H](C)c3nnc(-c4cccs4)o3)nc2n1 6842587 RHZYADFIPYGSPB-SNVBAGLBSA-N 358.452 3.706 0 40 FHAB COc1cc(NC(=O)c2ccc3ccccc3n2)ccc1N1CCCC1=O 8734164 PHBBSHROELVZPP-UHFFFAOYSA-N 361.401 3.623 0 40 FHAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CNc1ccc(F)c(Cl)c1 8777567 QCPPFVAEOPHMIT-UHFFFAOYSA-N 361.804 3.655 0 40 FHAB COc1ccccc1NC(=O)COC(=O)c1csc(-c2ccccc2)n1 7162129 KGGOPCQYHRLNAI-UHFFFAOYSA-N 368.414 3.614 0 40 FHAB COc1ccc(OCCN(C)Cc2cc(=O)oc3cc(C)c(C)cc23)cc1 15524914 WLIGPVPJFFJRQT-UHFFFAOYSA-N 367.445 3.929 0 40 FHAB COc1cc(C(=O)N2CC(=O)Nc3ccccc32)cc(Cl)c1OC(C)C 15911800 HHGDPSBEXBJSKG-UHFFFAOYSA-N 374.824 3.735 0 40 FHAB COc1ccccc1[C@H](NC(=O)Nc1cccc(C)c1)c1nccn1C 9314249 FOXWAERSHFLXOM-SFHVURJKSA-N 350.422 3.648 0 40 FHAB C[C@H]1C[C@H](Sc2nnc(-c3cc4c(s3)CC[C@@H](C)C4)o2)C(=O)O1 9448929 CZONKZLMUDKTHL-ZDMBXUJBSA-N 350.465 3.719 0 40 FHAB CCCc1c(C(=O)N2CCN(C)c3cc(F)ccc32)[nH]c(C)c1C(C)=O 72535296 QVBZMXXCZWMDSO-UHFFFAOYSA-N 357.429 3.714 0 40 FHAB COc1cc(CN[C@@H]2CCC[C@H](C)[C@H]2C)ccc1OCC(=O)N1CCCC1 72659561 XLTHLDILRPMXCA-YQVWRLOYSA-N 374.525 3.611 0 40 FHAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2c(c1)NC(=O)CO2 84734581 VLIMKQUOPYSPQL-PKOBYXMFSA-N 364.445 3.816 0 40 FHAB COc1cc(OC)cc([C@@H](Nc2nccc(C)c2Cl)c2nccn2C)c1 95941831 DPJQMTDXKOBQAD-QGZVFWFLSA-N 372.856 3.996 0 40 FHAB OCCCCCCSc1nnc(-c2ccncc2)n1CC(F)(F)F 75105251 FFFPCDRZVNSRBV-UHFFFAOYSA-N 360.405 3.547 0 40 FHAB Cc1sc(-c2cccc(O)c2)nc1-c1ccc(NS(C)(=O)=O)cc1 68945855 BMSXYZGYAPUNIS-UHFFFAOYSA-N 360.460 3.863 0 40 FHAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc2ccc(F)cc2s1 32855835 NVSHBVVUAGFASP-LLVKDONJSA-N 373.409 3.689 0 40 FHAB COc1ccc(O)c(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1 408628732 WSDZBFANAYWXQD-UHFFFAOYSA-N 371.245 3.834 0 40 FHAB Cc1nnsc1C(=O)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1 32593931 DFIJKJAKMMREGP-UHFFFAOYSA-N 363.402 3.816 0 40 FHAB Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 72378483 UHAWGONBWYDGHC-LJQANCHMSA-N 364.424 3.621 0 40 FHAB O=C(NCCc1cccc(CCNC(=O)c2ccccc2)c1)c1ccccc1 3845101 ZQYYJEMPQUIIGB-UHFFFAOYSA-N 372.468 3.632 0 40 FHAB biogenic Cc1ccc(C2CCN(C(=O)c3cc(Cc4ccccc4)[nH]n3)CC2)cn1 556578403 FGPHATYXNDGKGL-UHFFFAOYSA-N 360.461 3.724 0 40 FHAB Cc1ccc(NC(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)cc1C 70636603 LMIWBVRIUXGVSX-KRWDZBQOSA-N 352.356 3.875 0 40 FHAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)c1 224550391 DEFKUGWFTJQPIB-MOPGFXCFSA-N 364.474 3.904 0 40 FHAB CCN1CCc2nc(NC(=O)CSc3ccc(F)c(F)c3)sc2C1 48325839 WDVXPWKJGITKPH-UHFFFAOYSA-N 369.462 3.530 0 40 FHAB COc1c(CNC(=O)N2CCCC[C@@H]2c2cc[nH]n2)oc2ccccc12 570117253 GNGQSKPGSZXSAQ-OAHLLOKOSA-N 354.410 3.601 0 40 FHAB O=S(=O)(Nc1ccc(F)cc1Br)c1cc(F)cc(F)c1 48655279 ZQWPVEKNXJADLE-UHFFFAOYSA-N 366.158 3.667 0 40 FHAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2ccc(F)cc2Br)C1 47416750 VFHXSIRHPMZCBX-STQMWFEESA-N 371.294 3.686 0 40 FHAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)S1 222592023 NITPBPHDNPWEKE-CCKFTAQKSA-N 361.474 3.857 0 40 FHAB COc1ccc(C(=O)N2CCOCC2)cc1CSc1ccc(C)cc1 224340533 ISKHBTMTFNLWPE-UHFFFAOYSA-N 357.475 3.768 0 40 FHAB Cc1nn(C)c(C)c1[C@@H]1SCC(O)=Nc2c1cnn2-c1ccccc1 44902621 PIMQGXQXIVBJPK-QGZVFWFLSA-N 353.451 3.647 0 40 FHAB O=C1CCCN1c1cccc(NC(=S)NCc2ccc(Cl)cc2)c1 225305836 AQBQXAOFNAIEBE-UHFFFAOYSA-N 359.882 3.953 0 40 FHAB CC(C)(C)c1ccc(O)c(NC(=O)c2cccc(Cn3ccnn3)c2)c1 612756182 RAMGSOJFUPOXCS-UHFFFAOYSA-N 350.422 3.582 0 40 FHAB O=C(NC1CCN(c2cc(-c3ccccc3)n[nH]2)CC1)c1cccc(F)c1 98212571 IDULZUOZICAFPT-UHFFFAOYSA-N 364.424 3.615 0 40 FHAB CCc1ccccc1NC(=O)[C@@H](C)N1CCC(Oc2ccncc2C)CC1 585084832 SONYYBQGHUXQIE-QGZVFWFLSA-N 367.493 3.823 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCCN1CCCC[C@H]1CC 260492660 DVQKKJLAHZBQCH-MJGOQNOKSA-N 350.478 3.754 0 40 FHAB Cc1nn(-c2ncc(NC(=O)c3cccc4ccccc34)cn2)c(C)c1C 85555431 XPJPVAJPXQWLPF-UHFFFAOYSA-N 357.417 3.993 0 40 FHAB CC1(C)CC[C@H]2C[C@@H](NC(=O)c3ccc4oc(O)nc4n3)c3cccc1c32 613276400 BAEMFSPBYBHONE-XHDPSFHLSA-N 363.417 3.958 0 40 FHAB Cc1cn(C2CCCCC2)nc1NC(=O)NCc1cccc(C(=O)O)c1 669503052 HCTPQQNFDUUQCP-UHFFFAOYSA-N 356.426 3.717 0 40 FHAB COP(=O)(OC)[C@@H](O)/C=C(\Cl)c1ccc(Br)cc1 3126126 ZMMXPZIFOLWFSX-ZJRUKIMVSA-N 355.552 3.833 0 40 FHAB CCn1nnc2cc(C(=O)OCc3csc(-c4ccccc4)n3)ccc21 5804995 ZZRYHXHFERWGIX-UHFFFAOYSA-N 364.430 3.932 0 40 FHAB Cc1cc(-c2cnc(NCCN3CCCCC3)nc2-c2ccoc2C)on1 12251503 YBRLFBRSYWPDBO-UHFFFAOYSA-N 367.453 3.906 0 40 FHAB CC(=O)c1cc(C(=O)N2CCc3onc(-c4ccccc4F)c3C2)cs1 12290806 RGBJLOLIBBZFJZ-UHFFFAOYSA-N 370.405 3.943 0 40 FHAB CCOC(=O)N1CCC(C(=O)Nc2ccc(C)cc2Br)CC1 15316039 QKIWBLFHFXDSNX-UHFFFAOYSA-N 369.259 3.565 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cccc(C)c2)cc1 18076914 XRADMGYYTFEZFH-UHFFFAOYSA-N 374.506 3.597 0 40 FHAB CCc1nccn1C[C@H](C)C(=O)N1CCC[C@@H](COc2ccccc2C)C1 19523534 GLKFQIIBXVMSSM-RBUKOAKNSA-N 369.509 3.708 0 40 FHAB Cc1nn(C)cc1C(=O)N[C@H](Cc1ccsc1)c1nc(C)c(C)s1 19559830 BHMWHDNHENVINX-OAHLLOKOSA-N 360.508 3.577 0 40 FHAB C[C@H](CNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 7309561 HLOAQCJCEKXILX-GFCCVEGCSA-N 354.269 3.531 0 40 FHAB O=C(CSCc1cccs1)Nc1cccc(CN2CCCC2=O)c1 30128426 HOXYEPBUDXHQBV-UHFFFAOYSA-N 360.504 3.742 0 40 FHAB COc1ccccc1NC(=O)CSc1nccn1-c1cccc(C)c1 2723042 LGABLAJHAGOYJU-UHFFFAOYSA-N 353.447 3.920 0 40 FHAB Cc1ccc2cc(CCNC(=O)Cc3cccc4ccccc34)c(=O)[nH]c2c1 4032837 UFHBOXYZOUISCG-UHFFFAOYSA-N 370.452 3.891 0 40 FHAB O=C(Cc1ccc2c(c1)OCO2)Nc1nc2c(s1)Cc1ccccc1-2 9521493 FWZKZXMDDOSFTC-UHFFFAOYSA-N 350.399 3.624 0 40 FHAB O=S(=O)(c1cccc2ccccc12)N1CCO[C@H](c2ccccc2)C1 12441618 HGWHLKUJMZNTSO-IBGZPJMESA-N 353.443 3.602 0 40 FHAB O=C(NCc1ccc(F)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 31028780 OEXQECLQNPCZJA-UHFFFAOYSA-N 352.413 3.791 0 40 FHAB Cc1cc(O[C@H]2CCCN(C(=O)CCc3cccc(Cl)c3)C2)nc(C)n1 575608301 FKOCAVJBKXRKRQ-SFHVURJKSA-N 373.884 3.749 0 40 FHAB Cc1cccc([C@@H](c2sc3nc(C)nn3c2O)N2CCC[C@H](C)C2)c1 22626081 OWEOZWPOVTUCPZ-BBRMVZONSA-N 356.495 3.935 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)c1cccc(C(F)(F)F)c1)CC2 2437484 MNPJCNZRHKVIFO-UHFFFAOYSA-N 365.351 3.921 0 40 FHAB C[C@H](c1ccccc1)N(C)C(=O)CSc1nnc(C2CC2)n1C1CC1 7905384 SNTYKYRVRRXVST-CYBMUJFWSA-N 356.495 3.802 0 40 FHAB Cc1noc(C)c1CC(=O)OCc1c(C)nn(-c2ccccc2)c1Cl 36784812 ZSRFLUNPPWBLDN-UHFFFAOYSA-N 359.813 3.725 0 40 FHAB CNC(=S)N(Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 907825 MGOZFKLCDPZPTA-UHFFFAOYSA-N 365.502 3.651 0 40 FHAB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@H]2CC[C@@H](C)[C@@H](C)C2)cc1 4066269 IECONGJAZOYYLQ-PBXUPMNYSA-N 372.465 3.691 0 40 FHAB Clc1cccc(-n2ncc3c(Nc4ccc5c(c4)OCO5)ncnc32)c1 20662076 YIVOUCDROMKJSM-UHFFFAOYSA-N 365.780 3.941 0 40 FHAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 6168191 VGJVKPFSXLNBIL-GFCCVEGCSA-N 366.870 3.669 0 40 FHAB CCCn1nnnc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 6462559 PBIRGLDCMWWQEC-UHFFFAOYSA-N 366.208 3.902 0 40 FHAB C[C@@H](Nc1ncnc2sc3c(c12)CCCC3)[C@H](O)c1ccc(O)cc1 7982120 IUBNEIJNKCVNQT-DIFFPNOSSA-N 355.463 3.810 0 40 FHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1cc(F)c(F)cc1Cl 102213659 IVCNLWXIPVWAFA-HFBDOXOYSA-N 359.800 3.716 0 40 FHAB O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccc2c(c1)OCO2 21635419 JGEKRGHMOAHYCW-UHFFFAOYSA-N 356.325 3.560 0 40 FHAB CC(C)(C)c1cc(NC(=O)c2ccc(CSc3ncn[nH]3)cc2)on1 32971638 SXPSGBBTWCBRKH-UHFFFAOYSA-N 357.439 3.635 0 40 FHAB CCOc1ccc(OCC(=O)Nc2cccc(-n3nc(C)cc3C)c2)cc1 32915515 AEXSSPTZPQRQAZ-UHFFFAOYSA-N 365.433 3.905 0 40 FHAB CC(=O)Nc1ccc(C(=O)[C@H](C)N(C)CCOc2ccc(Cl)cc2)cc1 16633052 PSISNRWZNCIWJP-AWEZNQCLSA-N 374.868 3.880 0 40 FHAB Cc1ccc(C(=O)NCCc2ccccc2)cc1I 676767 YEURCRUUDALMGC-UHFFFAOYSA-N 365.214 3.572 0 40 FHAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cccc(C[S@](C)=O)c1 53543087 IONLAOKYAOWOJS-CRICUBBOSA-N 359.491 3.910 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)o2)cc1 802442 XTNGTGYWVHUUKA-DOMZBBRYSA-N 361.467 3.532 0 40 FHAB Cc1cc(C(F)F)n2nc(C(=O)Nc3cccc(Cl)c3Cl)nc2n1 815200 INZKXCGWHIFXAO-UHFFFAOYSA-N 372.162 3.929 0 40 FHAB CCOC(=O)N(C)c1ccc(NC(=O)c2cc(C)nc3onc(C)c23)cc1 54312692 MGDFFMWXHJOQFG-UHFFFAOYSA-N 368.393 3.685 0 40 FHAB Cc1nc(C(C)(C)C)nc2sc(C(=O)N[C@H](C)Cn3cccn3)c(C)c12 24804674 ARSGZRTUJZQJJQ-LLVKDONJSA-N 371.510 3.621 0 40 FHAB COc1ccc(C2=CC(=O)N(Nc3ccc(Cl)cc3Cl)C2=O)cc1 1398101 AODZDPYSLKVCFE-UHFFFAOYSA-N 363.200 3.781 0 40 FHAB COC(=O)C[C@@H](NC(=O)CCn1ccc2ccccc21)c1cccs1 25086694 VHBDFXFKOOGMRK-OAHLLOKOSA-N 356.447 3.514 0 40 FHAB CN(C)c1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(-c2ccccc2)n1 1402883 YYHJNJJDSDCNOW-UHFFFAOYSA-N 373.865 3.696 0 40 FHAB CC[C@@H](C)Oc1cccc(NC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)c1 57070674 DQCHNDAYFNTVQM-CABCVRRESA-N 368.433 3.617 0 40 FHAB CNc1nc(S[C@@H](C(=O)NC2CC2)c2ccccc2)nc2ccccc12 26561335 DQHXSAGAEJUIJK-QGZVFWFLSA-N 364.474 3.784 0 40 FHAB COc1cccc(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)c1 1981932 ONCSBMCHXGEXGN-LLVKDONJSA-N 363.797 3.541 0 40 FHAB O=C(NCc1ccccc1CN1CCCC1)[C@@H]1Cc2cc(Cl)ccc2O1 10220097 QJANQBNDJLFZFJ-FQEVSTJZSA-N 370.880 3.556 0 40 FHAB Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3ccc(F)cc3F)ccc12 2147498 OMCJNUIXCIVXHH-UHFFFAOYSA-N 374.339 3.894 0 40 FHAB biogenic COc1ccc([C@@H]2C3=C(N[C]4SCC(=O)N42)c2ccccc2CC3)cc1 409416309 GJWNXXRBFITYQV-HXUWFJFHSA-N 363.462 3.719 0 40 FHAB CSc1ncc(Cl)c(C(=O)Nc2cccc(Br)c2)n1 27743003 OAWOQOSFRHXGGE-UHFFFAOYSA-N 358.648 3.867 0 40 FHAB CCOc1cc2c(cc1NS(=O)(=O)c1ccc(C)s1)O[C@H](C)C2 36398169 QXFMOTFZPJAKID-SNVBAGLBSA-N 353.465 3.579 0 40 FHAB Cc1cnc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2)s1 36360297 KZWNMQUOJLNXKN-VIFPVBQESA-N 370.261 3.750 0 40 FHAB CCOc1cc(CN(CC)C(=O)/C=C/c2ccc(OC)cc2)ccc1O 36391693 GEYPAHQXKDFUOW-UKTHLTGXSA-N 355.434 3.861 0 40 FHAB CCOc1ccc(-c2nnc3sc(-c4ccccc4OC)nn23)cc1 2381161 DHDIPUHSLNBIFS-UHFFFAOYSA-N 352.419 3.927 0 40 FHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)NCc2nc(C)cs2)c1 45357938 OVSFDZNLQCDDAG-OAHLLOKOSA-N 361.467 3.515 0 40 FHAB CC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1Cl 10945949 SZXJVNRJFHZRJI-VIFPVBQESA-N 367.236 3.786 0 40 FHAB Cc1noc(C2CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)n1 48374599 XTMWHVBFQGBVCH-UHFFFAOYSA-N 361.445 3.994 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2cccnc2)o1 3449350 WVAPWTNWILOEHZ-UHFFFAOYSA-N 350.403 3.896 0 40 FHAB O=C(Nc1cnc2ccccc2c1)N[C@H](CN1CCCC1=O)c1ccccc1 62579949 VQPSPQWPLAUVQL-HXUWFJFHSA-N 374.444 3.720 0 40 FHAB COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1 63810664 PRBBRQIUXURLMP-SECBINFHSA-N 373.409 3.637 0 40 FHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cccnc1Cl 6047309 STNPSGFUDYYQLF-UMVBOHGHSA-N 353.846 3.896 0 40 FHAB COc1ccc(-c2noc(COC(=O)c3ccccc3Cl)n2)cc1OC 8447217 KSLVTERVODOKLC-UHFFFAOYSA-N 374.780 3.764 0 40 FHAB Cn1c(-c2cccnc2)nn(CN2CCC[C@@H]2c2ccccc2)c1=S 14159070 FXCXZPZYLYMUOD-QGZVFWFLSA-N 351.479 3.808 0 40 FHAB CCCC[C@@H](CC)CNC(=O)[C@H](C(=O)c1ccccc1)n1ccccc1=O 4548293 QQADIGBZXCAATD-XLIONFOSSA-N 368.477 3.605 0 40 FHAB COc1ccc(Cl)cc1/C=C1/NC(=O)N(Cc2ccc(F)cc2)C1=O 4545787 RPNALZSCRCKVPC-OQLLNIDSSA-N 360.772 3.581 0 40 FHAB CN(C)C(=O)Oc1ccc(-c2cc(C(F)(F)F)cnc2N(C)C)cc1 91695495 PQLVDVVKJSTJFL-UHFFFAOYSA-N 353.344 3.894 0 40 FHAB CCOc1ccc(C(C)=O)cc1Cn1cnc2ccc(Cl)cc2c1=O 6610959 JINWWUGJPPJUKC-UHFFFAOYSA-N 356.809 3.700 0 40 FHAB O=C(Cc1cccc(C(F)(F)F)c1)OCc1nnc(-c2ccco2)o1 6611717 YQRCKTNZGCLECA-UHFFFAOYSA-N 352.268 3.634 0 40 FHAB COc1ccc([C@H]2SC[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)N32)cc1 4738635 POIHINOKTVMLKS-FUHWJXTLSA-N 354.431 3.586 0 40 FHAB CC(=O)NCCc1ccc(C(=O)COc2cc(Cl)ccc2Cl)cc1 8536775 ZELYMPLMIUDAFL-UHFFFAOYSA-N 366.244 3.934 0 40 FHAB CCCCCc1nnc(NC(=O)c2ccc(N3CCCC3=O)cc2)s1 14713983 IEUMVCNXBAPIBA-UHFFFAOYSA-N 358.467 3.650 0 40 FHAB CCOC(=O)c1sc(NC(=O)c2cc(F)c(F)cc2Cl)nc1C 14866289 JBEHDMVNSJZYAU-UHFFFAOYSA-N 360.769 3.812 0 40 FHAB O=C(c1cc2c(=O)n3ccccc3nc2s1)N1CCCc2ccccc21 6864695 PVCVCXMAVGXCEQ-UHFFFAOYSA-N 361.426 3.502 0 40 FHAB CCOc1ccc(-c2nnc(SCCO)n2-c2ccccc2F)cc1 6979574 FWRSVXPEJVYCLZ-UHFFFAOYSA-N 359.426 3.557 0 40 FHAB C[C@H]1CCCCN1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 7063216 XMKAOIWJCVARMF-INIZCTEOSA-N 354.498 3.983 0 40 FHAB Cc1ccc(NC(=O)COc2ccc(I)cc2)cc1 7034759 BHIPFQNYBVVAKU-UHFFFAOYSA-N 367.186 3.617 0 40 FHAB Cc1ccsc1C(=O)N(C)CC(=O)Nc1ccccc1Br 18019721 GFOLTDJONSXWMD-UHFFFAOYSA-N 367.268 3.530 0 40 FHAB Cn1c(SCc2nc(-c3ccsc3)no2)nnc1-c1ccccc1 7364254 WWVCDOZRNCVHGG-UHFFFAOYSA-N 355.448 3.886 0 40 FHAB CC(C)(C)NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7790003 FWSJSVMYSWABHM-UHFFFAOYSA-N 369.494 3.768 0 40 FHAB CCc1nn(C)c(OC)c1CNC(=O)CCc1ccc(Cl)c(Cl)c1 93023753 CCBGWFFHEMVDQA-UHFFFAOYSA-N 370.280 3.547 0 40 FHAB COc1ccc(NC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)c(OC)c1 9194396 MLKIAEMXQFBYOU-UHFFFAOYSA-N 353.374 3.679 0 40 FHAB COc1nc(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)cc2ccccc12 83915485 ACZJIKUPCBPLRL-UHFFFAOYSA-N 362.364 3.821 0 40 FHAB CC[C@@]1(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CCC(=O)NC1=O 9341689 QNWYQGIHZUHMMU-FQEVSTJZSA-N 370.836 3.677 0 40 FHAB Cc1noc2nc(C3CC3)cc(C(=O)NCCO[C@H]3CCCC[C@H]3C)c12 84066729 MGXOFWVOHAHQBG-PXAZEXFGSA-N 357.454 3.734 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)Oc1ccccc1 409001494 ISHXIJPRYOBVMK-QGZVFWFLSA-N 354.406 3.606 0 40 FHAB Cc1cc2occ(CC(=O)N3CCCC[C@H]3C(=O)N3CCCC3)c2cc1C 72276944 LBZORYMARLMKCP-IBGZPJMESA-N 368.477 3.596 0 40 FHAB O=C(NC1(c2cccc(Br)c2)CCOCC1)[C@H]1C[C@H]1C1CC1 84363433 LEKPYSIDTQNNEY-HOTGVXAUSA-N 364.283 3.617 0 40 FHAB O=C(Nc1cccc(Cl)c1F)[C@@H]1CSCN1C(=O)c1ccccc1 84517864 ARXANHBRXBOIDA-AWEZNQCLSA-N 364.829 3.633 0 40 FHAB COc1ccc(CNCc2coc(-c3ccc(C)cc3)n2)c(OC)c1OC 72927049 JAFYJEYUHZMBJF-UHFFFAOYSA-N 368.433 3.966 0 40 FHAB CCCCOc1ccc(C(=O)OCCCc2nnc(C)o2)cc1OCC 95466565 ZSBCCZCDIUXGSR-UHFFFAOYSA-N 362.426 3.745 0 40 FHAB CN1C(=O)C(C)(C)COc2ccc(NC(=O)NCc3ccc(F)cc3)cc21 22509472 DIOZRERRCSMGLF-UHFFFAOYSA-N 371.412 3.529 0 40 FHAB O=C(NC[C@@H](O)c1cc2ccccc2s1)C(=O)c1ccc(Cl)cc1 95965144 PTFXTAACPNTLAS-CQSZACIVSA-N 359.834 3.587 0 40 FHAB Cc1c(Cl)c(CN2C(=O)N[C@@](C)(c3ccco3)C2=O)nc2ccccc12 9949275 IHQPKMUZQUWIMP-IBGZPJMESA-N 369.808 3.757 0 40 FHAB O=C(O)c1ccc(OCCc2ccccc2)c(I)c1 39951858 LWAMBKZVXLXOGD-UHFFFAOYSA-N 368.170 3.611 0 40 FHAB CSc1nc(N2CCCC2)c2cc(C(=O)NCCC(C)C)sc2n1 408618915 IHLRHILWPKSHNV-UHFFFAOYSA-N 364.540 3.789 0 40 FHAB O=C(NCc1ccccc1Br)NC[C@H]1CCc2ccccc21 522075428 HDFPXOVLVVAZDQ-CQSZACIVSA-N 359.267 3.978 0 40 FHAB COc1ccccc1C(=O)CNC(=O)c1cc(C(C)C)nc2ccccc12 535658960 PNHAFPWAYRNDPH-UHFFFAOYSA-N 362.429 3.980 0 40 FHAB Cc1noc(C)c1CNC(=O)c1cnc(OC2CCCCC2)c(Cl)c1 550020785 CDPUTMGCZPVAJH-UHFFFAOYSA-N 363.845 3.981 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 218931620 FKUNSWOOQHQPEC-INIZCTEOSA-N 371.477 3.955 0 40 FHAB Cc1nnsc1-c1nnc2sc(-c3cccc(Cl)c3Cl)nn12 72404934 KUIKXTZEZDMTQD-UHFFFAOYSA-N 369.262 3.987 0 40 FHAB Cc1sc(C(=O)O)cc1CN(C)[C@@H](C)c1ccc([S@](C)=O)cc1 563892620 KIVKARIHDUXPPI-RULNZOCKSA-N 351.493 3.685 0 40 FHAB CC[C@H](Oc1ccc(C)cc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 219599892 NDLNYVRVHNRXPY-SFHVURJKSA-N 365.433 3.861 0 40 FHAB Cn1ccc([C@H](NC(=O)c2ncoc2-c2cccs2)C(F)(F)F)c1 152414684 YXIYXVRAGKKDFX-ZDUSSCGKSA-N 355.341 3.775 0 40 FHAB Nc1cc(-c2cccc(I)c2)nn1-c1ccccc1 37352269 BGBSKFFBYFTNEZ-UHFFFAOYSA-N 361.186 3.726 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)c1C 31700416 MLTUOGFPUJOHDZ-INIZCTEOSA-N 352.434 3.836 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1ccsc1)c1ccco1 670902437 AZPNCTAYWCGGFE-HNNXBMFYSA-N 365.451 3.899 0 40 FHAB N[C@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1Cl 72227305 AULXWCWDQOFAMG-KGLIPLIRSA-N 351.631 3.518 0 40 FHAB O=C(C1CCCC1)N1C[C@@H]2CCCCN(CCOc3ccccc3)[C@@H]2C1 72330642 XDXWRNMGJYXQJG-PZJWPPBQSA-N 356.510 3.569 0 40 FHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 44948789 IYWBKGPAGBCXPZ-SFHVURJKSA-N 370.468 3.867 0 40 FHAB COC(=O)c1cn(C(=O)c2ccc(CN3CCCC3)cc2)c2ccccc12 222602466 MTXIXVLJWIVGPR-UHFFFAOYSA-N 362.429 3.712 0 40 FHAB CCOc1ccc(C(=O)NCc2cccc(N3CCCC3=O)c2)cc1Cl 223109964 LPBVCJMXFJTWKF-UHFFFAOYSA-N 372.852 3.796 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 223636885 PNDPLJSWSOTDEJ-INIZCTEOSA-N 372.896 3.744 0 40 FHAB Cc1ccc([C@H](NS(=O)(=O)c2c(C)noc2C)c2ccccc2)c(C)c1 225676891 MZLHZITWGHZEDT-LJQANCHMSA-N 370.474 3.976 0 40 FHAB O=C(/C=C/c1ccccc1Cl)Nc1cc(-n2cnnn2)ccc1Cl 40114616 GSVQQOXXMFWLFT-VMPITWQZSA-N 360.204 3.621 0 40 FHAB O=S(=O)(c1ccc(F)c(Cl)c1)N(CCc1cccs1)C1CC1 75154822 UCMZTJCDMALVDU-UHFFFAOYSA-N 359.875 3.936 0 40 FHAB CCN1CCN(c2ccc(N)cc2NC(=O)c2cccc3ccccc23)CC1 226258673 QMGOSZZADGGMTM-UHFFFAOYSA-N 374.488 3.816 0 40 FHAB COc1ccccc1-c1cc(C(=O)NCc2ccnc(-c3ccco3)c2)[nH]n1 225656673 TUWAZHYGQJRERL-UHFFFAOYSA-N 374.400 3.670 0 40 FHAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 225254124 KBLUJYHUGXZCDA-HXUWFJFHSA-N 370.468 3.702 0 40 FHAB N=c1[nH]c2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2 145892839 HFUJVVKYRPFTGU-UHFFFAOYSA-N 370.460 3.719 0 40 FHAB Cc1ccc(N2CCCc3sc(C(=O)Nc4cccc(F)c4)nc32)nn1 96037463 DRNCDDYYTRNHQK-UHFFFAOYSA-N 369.425 3.717 0 40 FHAB COc1nc(C(F)(F)F)ccc1-c1cc(C)ccc1O[C@@H](C)C(=O)O 580214447 VYWAJMLDNIDODK-JTQLQIEISA-N 355.312 3.936 0 40 FHAB Cc1sc(C(=O)O)cc1CN1CCC[C@H]1c1nccc(C(F)(F)F)n1 656761309 NUZTZAHBNPOUSI-NSHDSACASA-N 371.384 3.901 0 40 FHAB Cc1cccc2c1OCC[C@H]2NC(=O)N[C@H]1[C@@H]2c3ccc(F)cc3C[C@H]21 664738858 WHZRNJJVMPLKLX-NCXUSEDFSA-N 352.409 3.595 0 40 FHAB COC(=O)[C@H]1CN(C(=O)N[C@@H](c2ccccc2)C2CC2)Cc2ccccc21 598957565 YGWUTMVTNBESKP-PMACEKPBSA-N 364.445 3.620 0 40 FHAB O=C(c1ccc2c(c1)nc(O)n2C1CCCC1)N1CCOc2ccccc21 625130111 GXXMYFAVIWPMLC-UHFFFAOYSA-N 363.417 3.896 0 40 FHAB C[C@@H](NC(=O)N1CC(=O)Nc2ccccc2C1)c1ccc2c(c1)CCCC2 1679921871 VEJJSHDMNCSIGT-OAHLLOKOSA-N 363.461 3.790 0 40 FHAB Cc1ccc2c(c1)CN(C(=O)N[C@H](C)[C@H]1OCCc3sccc31)CCO2 644543594 XXQIXPUSPXPTKE-AUUYWEPGSA-N 372.490 3.663 0 40 FHAB CO[C@@](C)(CNS(=O)(=O)Cc1cccc(C)c1)c1cccc(Cl)c1 96392810 IEPCWGXTKFQPFA-SFHVURJKSA-N 367.898 3.630 0 40 FHAB CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NCc1cnn2ccccc12 84456915 XLZCXPWSRGMEFJ-HXUWFJFHSA-N 360.502 3.753 0 40 FHAB CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@]1(C)C(=O)O 203606563 VRTPGGKICLFDMG-PXAZEXFGSA-N 359.539 3.861 0 40 FHAB CC[C@@H](C)COc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1 5030185 FBIPVSYNFYEHGF-CQSZACIVSA-N 371.462 3.856 0 40 FHAB O=C(OCc1cc(Cl)cc2c1OCOC2)c1ccc2nccnc2c1 5420822 YFTKDPVGLJHVSQ-UHFFFAOYSA-N 356.765 3.507 0 40 FHAB CCCN1C(=S)N[C@H](c2ccccc2)C(C(=O)Nc2cc(C)on2)=C1C 12949138 IIDKILFGQLAPSZ-QGZVFWFLSA-N 370.478 3.537 0 40 FHAB CCOc1ccccc1C(=O)N[C@H](C)c1nc(-c2ccc(C)cc2)no1 13495206 DIVRUUFBMXAMLK-CQSZACIVSA-N 351.406 3.935 0 40 FHAB CCC(=O)N[C@@H](c1nccs1)[C@H]1CCCN(Cc2ccccc2F)C1 19499268 QAMNTSOZPXCCRN-MAUKXSAKSA-N 361.486 3.762 0 40 FHAB CN(CCOc1ccccc1)Cc1c([C@H]2CCCO2)[nH]c2ncccc12 19586166 BYLRTVUTQVZYNY-LJQANCHMSA-N 351.450 3.925 0 40 FHAB Cc1nn(C)c(C)c1CC(=O)Nc1nc(-c2cc(F)ccc2F)cs1 11210864 DLJWRZMFAJXJGT-UHFFFAOYSA-N 362.405 3.620 0 40 FHAB O=C(CN(Cc1ccco1)Cc1cccs1)N1CCc2ccccc2C1 16350038 YKVXJTORSRNTNI-UHFFFAOYSA-N 366.486 3.928 0 40 FHAB CC(C)c1ccc(NC(=S)NCc2ccc(S(C)(=O)=O)cc2)cc1 36847373 XIARLNHPHGDZKM-UHFFFAOYSA-N 362.520 3.700 0 40 FHAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(OCC2CCOCC2)nc1 244986281 JNXCMNVETFEZIC-UHFFFAOYSA-N 364.804 3.932 0 40 FHAB O=C(c1cc[nH]n1)N1CCC2(CC1)CN(c1ccccc1)c1ccccc12 1565551263 BXIXBLADIFKLAA-UHFFFAOYSA-N 358.445 3.735 0 40 FHAB O=C(CSc1nnc2ccccn12)Nc1c(Cl)cccc1Cl 1098242 BJSWZJUKRYOUKA-UHFFFAOYSA-N 353.234 3.767 0 40 FHAB O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc2c(c1)OCO2 4370817 WFCDKBBPAIGQJA-UHFFFAOYSA-N 357.369 3.982 0 40 FHAB Cc1ccc(C)c(NC(=O)c2cn(C)cc3c(=O)n(-c4ccccc4)nc2-3)c1 9661353 KPBQXOYRNDMAEJ-UHFFFAOYSA-N 372.428 3.545 0 40 FHAB Cc1cccc(NC(=O)N[C@H](C)[C@@H](c2cccs2)N2CCOCC2)c1 23182641 ZGNNSNHCOUGADA-QAPCUYQASA-N 359.495 3.640 0 40 FHAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1c(F)cccc1Cl)C1CC1 40051914 SGNKVMHGNMCNKZ-LLVKDONJSA-N 370.852 3.883 0 40 FHAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc(Oc3ccccc3)nc2)n1 40142537 MMTJORWERHBCIQ-OAHLLOKOSA-N 364.449 3.753 0 40 FHAB Clc1cccc(N2CCN(Cc3nc(Cc4ccccc4)no3)CC2)c1 40118748 MGGWGGILFHLYCU-UHFFFAOYSA-N 368.868 3.636 0 40 FHAB Cc1[nH]c2ccc(C(=O)OCC(=O)c3ccc4c(c3)OCO4)cc2c1C 16699578 CUHKTDJJXCZZLC-UHFFFAOYSA-N 351.358 3.553 0 40 FHAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2ccc[nH]c2=O)n1 36631112 DVGNROGCUAHMGN-UHFFFAOYSA-N 350.403 3.540 0 40 FHAB CCCc1cc2c(=O)c(-c3ccc(C(=O)OCC)o3)c(N)oc2cc1OC 635377 VBBOLYJHTGISFK-UHFFFAOYSA-N 371.389 3.773 0 40 FHAB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(CCC(C)C)C2=O)c(C)n1C(C)C 8491135 DHHHQXVDEBPDNZ-FQEVSTJZSA-N 361.486 3.615 0 40 FHAB O=C(O)CCCC(=O)Nc1nc(-c2cccc(Br)c2)cs1 2503239 QRKGVSSMTXOUPF-UHFFFAOYSA-N 369.240 3.766 0 40 FHAB C[C@H]1CC[C@@H](C)[C@H](NC(=O)c2ccc(I)cc2)C1 4409161 UKUJCWUKFVTSPO-MISXGVKJSA-N 357.235 3.846 0 40 FHAB CC(C)C[C@@H]1CC(=O)N(C2(C(=O)Nc3ccc4c(c3)OCO4)CCCC2)C1 101377154 NNRDYIJQINVZQN-OAHLLOKOSA-N 372.465 3.561 0 40 FHAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2)c1ccccc1F 11695800 IGYYKAMIYVOLOR-UHFFFAOYSA-N 361.376 3.676 0 40 FHAB CCc1ccc(C(=O)COC(=O)c2ccc3nc(C)c(C)nc3c2)s1 6590453 APPUXTHFCHQOIR-UHFFFAOYSA-N 354.431 3.910 0 40 FHAB C[C@H](OC(=O)C1CCC1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 6639316 QZXCIGFIBKLMMU-VIFPVBQESA-N 366.389 3.759 0 40 FHAB CCCN(CC(=O)Nc1ccccc1C)Cc1cccc(C(=O)OC)c1 7696439 KFMHBTPAVUOVLE-UHFFFAOYSA-N 354.450 3.632 0 40 FHAB C[C@@H](NC(=O)CCc1nc(-c2ccc(F)cc2)no1)c1ccc(F)cc1 8303268 SOMWAUXGAYULSM-GFCCVEGCSA-N 357.360 3.825 0 40 FHAB C[C@@H](NC(=O)Cc1coc(-c2ccccc2)n1)c1ccc2c(c1)OCCO2 32836547 XOPUBZVWGUZLIN-CQSZACIVSA-N 364.401 3.533 0 40 FHAB O=C(/C=C/c1ccco1)NCCC(=O)Nc1ccc2c3c(cccc13)CC2 46325439 FDIOROXJNAVQTP-PKNBQFBNSA-N 360.413 3.690 0 40 FHAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(N2CCCCC2)cc1 32999897 XQGVFCFDZQWHHP-IBGZPJMESA-N 369.465 3.663 0 40 FHAB C[C@H](NC(=O)Cn1nnc2ccccc21)c1cc(F)c(Cl)cc1Cl 21901493 OGJTUPVBXBLXFZ-VIFPVBQESA-N 367.211 3.755 0 40 FHAB COc1cc(/C=C2\SC(=O)NC2=O)ccc1OC(=O)c1ccc(C)cc1 33316942 KOWPYLOKSPWAMJ-YBEGLDIGSA-N 369.398 3.547 0 40 FHAB CC(=O)Oc1ccc2c(=O)c(-c3ccc4c(c3)OCCCO4)coc2c1 630507 WISDCSKSBKCCAW-UHFFFAOYSA-N 352.342 3.547 0 40 FHAB biogenic CCc1ccc(CN(Cc2cccnc2)C(=O)Nc2cc(C)nn2C)cc1 53733512 ZNOKJOFDFXIWNG-UHFFFAOYSA-N 363.465 3.920 0 40 FHAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 995966 MKXNDJSLQLSEKE-MRXNPFEDSA-N 358.869 3.765 0 40 FHAB O=C(Nc1nccs1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 43160233 GLNIEWHDXCOWMR-OAHLLOKOSA-N 353.451 3.587 0 40 FHAB C[C@@H](NC(=O)Nc1ccccc1I)c1ccco1 43157742 ACHJOQZYDBKJEO-SECBINFHSA-N 356.163 3.767 0 40 FHAB O=C(CN1CCN(C(=O)c2ccco2)CC1)c1ccc(-c2ccccc2)cc1 34657407 YXPZFQIENSALRS-UHFFFAOYSA-N 374.440 3.587 0 40 FHAB Cc1ccc(NC(=O)Nc2snnc2C(=O)NC2CCCCC2)cc1 1416944 IUFXSYZBSVHPIX-UHFFFAOYSA-N 359.455 3.553 0 40 FHAB COC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(C)c(C)c2)on1 27583476 JZMIGZNAIMLXEF-UHFFFAOYSA-N 350.374 3.997 0 40 FHAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccc(-n2ccnc2C)cc1 20491571 JGSHXDBESIZAGH-OAQYLSRUSA-N 363.461 3.963 0 40 FHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CCN(c2ccc(F)cc2)CC1 20492643 XUAMODXULICBQL-HXUWFJFHSA-N 370.468 3.949 0 40 FHAB O=C(Nc1cccc(C(=O)N(Cc2ccccc2)C2CC2)c1)[C@H]1CCCO1 26070894 NWNWIRTXUZJHKY-HXUWFJFHSA-N 364.445 3.609 0 40 FHAB O=C(NCc1ccccc1-n1ccnc1)N1CC=C(c2ccccc2)CC1 56894271 GGXWASCHDDSVQV-UHFFFAOYSA-N 358.445 3.871 0 40 FHAB O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 22920207 AMDORTJEUIHAAZ-RRFJBIMHSA-N 367.415 3.575 0 40 FHAB O=C(CNc1cccc2c1OCCO2)Nc1ccccc1C(F)(F)F 58160311 MMJALXYJTZAREV-UHFFFAOYSA-N 352.312 3.527 0 40 FHAB CC(C)[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)NCc1cccnc1 58208639 ACCYTEDIRLIJRX-CQSZACIVSA-N 374.491 3.626 0 40 FHAB COc1ccc(N(C)S(=O)(=O)c2ccc(Br)cc2)cc1C 2230349 GGSQPVKKZGHAPD-UHFFFAOYSA-N 370.268 3.591 0 40 FHAB COc1ccccc1CCNC(=O)c1cc(C(C)C)nc2onc(C)c12 36357209 ULLOHFKSXQFFBH-UHFFFAOYSA-N 353.422 3.636 0 40 FHAB CC[C@H](C)CCCNc1nnc(SCC(=O)NC2CCCC2)s1 3296589 JHRHSMFMUDKAKL-LBPRGKRZSA-N 356.561 3.927 0 40 FHAB CCO[P@](=O)(c1ccccc1Cl)[C@@H](O)C(Cl)(Cl)Cl 2358399 IVPIKQOPYDQLAQ-DYBLOJMWSA-N 351.981 3.969 0 40 FHAB CC(C)[C@@H](NC(=O)NC[C@@H]1COc2ccccc2O1)c1ccc(F)cc1 12765834 KKKPTWVQIDHCAF-VQIMIIECSA-N 358.413 3.662 0 40 FHAB O=C(N[C@H](c1cccs1)C1CCCC1)[C@H]1CCCN(c2cnccn2)C1 48272511 KCNYIRNQEGWYAP-LPHOPBHVSA-N 370.522 3.802 0 40 FHAB CCCN(Cc1nc(-c2cccs2)no1)Cc1nnc(-c2ccco2)o1 12809415 NHWWHOZQYICSHT-UHFFFAOYSA-N 371.422 3.853 0 40 FHAB CC(C)[C@H](NC(=O)c1cc(=O)[nH]c2ccccc12)c1nc2ccccc2[nH]1 3428173 DWZQFHGZCBGCLO-IBGZPJMESA-N 360.417 3.532 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nc(-c3ccccc3F)n[nH]2)c1C 13135364 GWMQXFJJNUUDGI-UHFFFAOYSA-N 372.425 3.733 0 40 FHAB O=C(CCNC(=O)Nc1ccccc1)Nc1ccc(C(F)(F)F)cc1 9053736 HNOCUJTVDNOOAZ-UHFFFAOYSA-N 351.328 3.856 0 40 FHAB O=C(NCCCSc1ccccc1)c1cccc(CN2CCCC2=O)c1 39984946 JTQDOEABZCTGRK-UHFFFAOYSA-N 368.502 3.721 0 40 FHAB Cc1csc(NC(=O)Cn2ccc3c(Br)cccc32)n1 39979346 UJIMUFPIHBSFTO-UHFFFAOYSA-N 350.241 3.807 0 40 FHAB CN(CCCNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1ccccc1 14043063 GBUVKKSOWNNMBM-UHFFFAOYSA-N 368.868 3.986 0 40 FHAB Cc1cc(C)cc(OCC(=O)Nc2nc(-c3ccc(F)cc3)ns2)c1 8614022 TUULIZALGRNYJB-UHFFFAOYSA-N 357.410 3.979 0 40 FHAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)Nc2cccc(Cl)c2)c1 5324622 CCKKQUXIJUBXTB-UHFFFAOYSA-N 358.829 3.683 0 40 FHAB C[C@@H](NC(=O)CCNC(=O)NC1CCCCC1)c1ccc2c(c1)CCCC2 14161935 RNWXOSLVSANNDZ-MRXNPFEDSA-N 371.525 3.765 0 40 FHAB CCc1ccccc1NC(=O)CNC(=O)c1ccc(-c2ccccc2)nc1C 14157753 VBRYCCUZKUHETG-UHFFFAOYSA-N 373.456 3.988 0 40 FHAB COc1ccc(NC(=O)CN(C)Cc2csc(-c3cccs3)n2)cc1 14134577 TWZSBHMLAGUNIA-UHFFFAOYSA-N 373.503 3.951 0 40 FHAB O=C(CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1)N1CCCCCC1 14173886 SOEFWXDBHCJGQT-JXMROGBWSA-N 360.458 3.609 0 40 FHAB Cc1nc(-c2cc(C)n(CC(=O)Nc3ccc4c(c3)OCO4)c2C)cs1 14251354 VBBMZKSFYCUXEU-UHFFFAOYSA-N 369.446 3.904 0 40 FHAB CC[C@H](C)N1C(=O)S/C(=C\c2c(OC)cc(OC)cc2OC)C1=O 4695930 DJSFWZIDAWQULR-QNKACBJSSA-N 351.424 3.547 0 40 FHAB C[C@H](OC(=O)C1c2ccccc2Oc2ccccc21)C(=O)NC1CCCC1 6600216 PDNQWGFYFPQWHV-AWEZNQCLSA-N 365.429 3.915 0 40 FHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 4988598 HXQNGZZDBVIKLU-OXQOHEQNSA-N 368.429 3.981 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCCN1C(=O)c1cccs1 24540493 BFEFVONFFUSUCH-WMZOPIPTSA-N 370.518 3.880 0 40 FHAB C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 15197050 VXMWKALPOFBINF-AWEZNQCLSA-N 359.491 3.879 0 40 FHAB Cc1ccc(C(=O)CCC(=O)NCC(=O)Nc2c(C)cccc2C)cc1C 8774497 DTWBTGTXIOYYHL-UHFFFAOYSA-N 366.461 3.638 0 40 FHAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1cc(-c2ccccc2)[nH]n1 7027708 RBNYADLJCYBRBD-UHFFFAOYSA-N 369.808 3.834 0 40 FHAB O=C(c1cccs1)N1CCC(C(=O)N2CC[C@H]3CCCC[C@H]3C2)CC1 7626825 ONBGKXQAKILJKE-WBVHZDCISA-N 360.523 3.639 0 40 FHAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1C(=O)c1ccccc1 7753555 UHUZQVQOSPFWPP-UHFFFAOYSA-N 359.381 3.576 0 40 FHAB CN(C)Cc1ccc(CNC(=O)c2cccnc2Oc2ccccc2)cc1 16102353 YYXSDGBLPZDGPB-UHFFFAOYSA-N 361.445 3.866 0 40 FHAB Cc1nc(-c2ccccc2)sc1C(=O)NCCc1nc2ccccc2[nH]1 7996059 XJADLTVODOFHQP-UHFFFAOYSA-N 362.458 3.967 0 40 FHAB O=C1/C(=C/c2ccc(OC(F)F)cc2)N=C(S)N1Cc1ccco1 7988319 AJWWJFFTHUCMCG-JYRVWZFOSA-N 350.346 3.550 0 40 FHAB CC(=O)Nc1ccc(/C=C2/N=C(c3ccc(OC(C)C)cc3)OC2=O)cc1 96635154 SQOUMYVUORXKLJ-XDHOZWIPSA-N 364.401 3.777 0 40 FHAB CC(C)c1nnc(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)n1C1CC1 9478921 KNUFBRFHCGHSFK-NSHDSACASA-N 355.467 3.826 0 40 FHAB Cc1[nH]c2ccc(C(=O)OCc3cc(=O)n4c(C)csc4n3)cc2c1C 9552110 AVBHOVMBRMFUEM-UHFFFAOYSA-N 367.430 3.520 0 40 FHAB C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1nc2ccccc2n1C(F)F 9757393 CFWMCDHUASQADE-JTQLQIEISA-N 359.332 3.651 0 40 FHAB CN(c1ccc(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)cc1F)C1CCCCC1 96998605 RYCZOQYGHOMIHY-CQSZACIVSA-N 373.472 3.544 0 40 FHAB O=C(NCCCN1c2ccccc2Sc2ccccc21)N1CCOCC1 84582929 YCGDCETWCJKXLV-UHFFFAOYSA-N 369.490 3.721 0 40 FHAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccnc3)[C@](O)(C(F)(F)F)[C@H]2C1 409101221 SCWOWPMWTRLJEG-IIYDPXPESA-N 369.387 3.607 0 40 FHAB CC[C@H](C)N(CC(=O)OC(C)(C)C)Cc1nc(CCc2ccccc2)no1 84721907 WMTJHHZXTRWBAQ-INIZCTEOSA-N 373.497 3.797 0 40 FHAB C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cnc(-c2cnn(C)c2)s1 95455927 IEESCTWTZYETTD-RYUDHWBXSA-N 370.453 3.831 0 40 FHAB CC(C)c1cnc(CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)o1 78680134 IMDHKRAKFQYSFU-NRFANRHFSA-N 363.417 3.918 0 40 FHAB Cc1cc(C)n(C[C@H](C)CN[C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 95996298 NJPVPHULKXWQDZ-OLMNPRSZSA-N 364.534 3.514 0 40 FHAB CC(C)(O)c1cc2c(O)c3c(=O)c(-c4ccc(O)cc4)coc3cc2o1 85996821 FJWVISOPPWPZGU-UHFFFAOYSA-N 352.342 3.845 0 40 FHAB biogenic Cc1c(NC(=O)NCC2CCCCCCC2)c(=O)n(-c2ccccc2)n1C 79493278 MDRHGJOOYCWKRA-UHFFFAOYSA-N 370.497 3.966 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 175116261 RXWYJUUEOUNLID-CJNGLKHVSA-N 359.397 3.632 0 40 FHAB Cc1ccc(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1C 113968129 JUBZKUWJUOAEBC-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 60061236 LGTYOEPXHBRYHI-XNJGSVPQSA-N 371.308 3.707 0 40 FHAB Cc1cc(C(=O)N2N=C3CCCC[C@H]3[C@]2(O)C(F)(F)F)ccc1Cl 409182101 IVQNOFIOPJGOIC-ABAIWWIYSA-N 360.763 3.901 0 40 FHAB COc1cc(Br)cc(/C=C2/N=C(c3ccccc3)OC2=O)c1O 408814230 SDBIRXSEUXUEMX-MDWZMJQESA-N 374.190 3.508 0 40 FHAB Cc1[nH][nH]c(=NC(=O)[C@@H](C)[C@@H]2OCCc3sccc32)c1-c1ccccc1 517679956 FHQCUQQVXCAASF-SGTLLEGYSA-N 367.474 3.757 0 40 FHAB C[C@@H](CCN1CC[C@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1)c1ccccc1 36719526 WTNDVPBYVSXRMO-PXNSSMCTSA-N 374.488 3.815 0 40 FHAB C[C@H](NCc1ccc2c(c1)C(=O)NCC2)c1ccc(-c2ccncc2)cc1 542683430 PRKTVFGGUDJEDV-INIZCTEOSA-N 357.457 3.885 0 40 FHAB CCSc1ccc(CC(=O)Nc2nnc(-c3ccnn3C(C)C)o2)cc1 36701471 UCBFBSZPTKHWTB-UHFFFAOYSA-N 371.466 3.807 0 40 FHAB O=C(NCc1ccccc1Cl)c1coc(NC(=O)c2cccs2)n1 62023063 PHSPPGPDYGVOPC-UHFFFAOYSA-N 361.810 3.572 0 40 FHAB CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 225606444 HLRJJZQWAICZIO-NRFANRHFSA-N 362.514 3.941 0 40 FHAB O=C(NCCCc1ccc(Cl)cc1)c1ccc(Cn2ccnc2)cc1 44906431 XZPCTHIROIXADZ-UHFFFAOYSA-N 353.853 3.947 0 40 FHAB CN(C)c1ccc(-c2nnc([C@H]3CCN(Cc4cccs4)C3)o2)cc1 49170238 CXJFOOCPAVHLSU-HNNXBMFYSA-N 354.479 3.854 0 40 FHAB biogenic,in-vitro Cc1ccc(-c2nnc([C@H]3CCN(C(=O)NC4CCCCC4)C3)o2)cc1 49170986 QLSXDLSZRQLKTC-INIZCTEOSA-N 354.454 3.877 0 40 FHAB biogenic,in-vitro CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 225004920 QFICOUVPIBRDBD-NRFANRHFSA-N 368.477 3.936 0 40 FHAB CC(C)(C)OC(=O)N1C[C@@H](Oc2ccccc2C(C)(C)C)C[C@H]1C(=O)O 42783172 UCFQPSTUKYRWNU-ZFWWWQNUSA-N 363.454 3.826 0 40 FHAB CCOc1ccc(S(=O)(=O)N[C@H](CC)c2ccc(OC)c(C)c2)cc1 224304446 UUZKJAINEWSLGV-GOSISDBHSA-N 363.479 3.832 0 40 FHAB O=C(CCc1nc(-c2cccc3ccccc23)no1)NCc1cccnc1 225827595 NRBLJDMGQAUJQU-UHFFFAOYSA-N 358.401 3.534 0 40 FHAB Cc1ccc(N2C(=O)C[C@H](Nc3ccc(Br)cc3)C2=O)cc1C 95915151 HIXDJHFOMCKHTB-INIZCTEOSA-N 373.250 3.810 0 40 FHAB CCOC(=O)c1[nH]c(C)c(C(=O)Nc2nc(-c3ccccn3)cs2)c1C 96117323 LIGQCNIMEDTODI-UHFFFAOYSA-N 370.434 3.579 0 40 FHAB COc1ccccc1-c1nc2nccc(-c3ccc4c(c3)OCCCO4)n2n1 96345051 FZUITUBFQXEZQN-UHFFFAOYSA-N 374.400 3.628 0 40 FHAB CC(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3ccc(C)s3)C[C@H]12 248080598 ITLKYKOGCOJECH-SFTDATJTSA-N 354.519 3.821 0 40 FHAB O=C(c1ccnnc1)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257327486 XBNJUAFJGRVWSL-QGZVFWFLSA-N 368.824 3.686 0 40 FHAB O=C(c1ccc(-c2cc[nH]n2)s1)N(Cc1ccccc1)CC1(CO)CC1 585082104 GPGYWMLDHANUDM-UHFFFAOYSA-N 367.474 3.553 0 40 FHAB CC(C)(C(=O)N[C@@H]1CCC(=O)NC12CCC2)c1ccc(Cl)c(Cl)c1 585080385 FFVBVGJELOZILI-CQSZACIVSA-N 369.292 3.589 0 40 FHAB Cc1nc(C(=O)N2[C@H]3CC[C@H]2CC(Cc2ccccc2)C3)ccc1C(=O)O 630340967 GBBUCCXRRSKDOZ-ROUUACIJSA-N 364.445 3.714 0 40 FHAB CC1(C)Oc2cc(-c3cccc(CO[C@H]4CCOC4)c3)ccc2NC1=O 665180679 SXYKDXUUZKTACC-KRWDZBQOSA-N 353.418 3.769 0 40 FHAB Cc1cnc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c(O)c1 680843870 WTLZTHLVPZQICC-UHFFFAOYSA-N 371.824 3.910 0 40 FHAB COC[C@H](NC(=O)c1ccccc1N1CCCCC1)c1cccc(OC)c1 622920217 ONCGJRSBPDUOIM-FQEVSTJZSA-N 368.477 3.803 0 40 FHAB CC(C)OC(=O)N1CC[C@H]2[C@@H]1CC(=O)N2Cc1c(Cl)cccc1Cl 585108890 BXJGHRLZSFTABI-GJZGRUSLSA-N 371.264 3.714 0 40 FHAB O=C(NCc1ccc(OCc2cccnc2)cc1)c1ccc(NC2CC2)nc1 48302499 XTEXLOVKKWCSLH-UHFFFAOYSA-N 374.444 3.560 0 40 FHAB CCCc1noc2ncc(C(=O)NCCCCOc3ccc(F)cc3)cc12 58055625 RLAMXDSJOFCQHS-UHFFFAOYSA-N 371.412 3.903 0 40 FHAB CCOC(=O)CN(C)c1nc(-c2ccccc2)c2cc(Cl)ccc2n1 1651650425 WANDKNOANNXKQS-UHFFFAOYSA-N 355.825 3.950 0 40 FHAB O=c1[nH]cc(-c2ccc(F)cc2)cc1CNc1ccccc1-n1ccnc1 12143340 OZXJJCAMWBYHEV-UHFFFAOYSA-N 360.392 3.979 0 40 FHAB Clc1ccc(CN2CCc3nc([C@H]4CCCN4)ncc3C2)cc1Cl 19292965 GIHCHPQSFCCAMF-QGZVFWFLSA-N 363.292 3.766 0 40 FHAB CN(Cc1c(C2CCOCC2)[nH]c2ncccc12)C[C@@H](O)c1ccccc1 19586376 LRLVZVRISXACIY-HXUWFJFHSA-N 365.477 3.622 0 40 FHAB COc1ccc(C)cc1N1C[C@H](C(=O)Nc2nc(C(C)C)cs2)CC1=O 19715166 HZCPUNOGEMNEOZ-CYBMUJFWSA-N 373.478 3.575 0 40 FHAB CSc1ccc([C@H](C)NC(=O)c2cnc(-c3ccccc3)[nH]c2=O)cc1 19937349 OTSNAYCNXWFETA-ZDUSSCGKSA-N 365.458 3.650 0 40 FHAB CCOc1cncc(CN[C@@H]2CCOc3c(Br)cccc32)c1 621351083 DTDQKBSKANHYSF-MRXNPFEDSA-N 363.255 3.856 0 40 FHAB Cc1ccc(N2C(=O)c3ccccc3N[C@@]23C(=O)N(C)c2ccccc23)cc1 4710355 KKBTUMGWFOSEOY-HSZRJFAPSA-N 369.424 3.897 0 40 FHAB Cc1ccc(-n2nnnc2CNC(=O)c2ccc(C(C)(C)C)cc2)cc1C 9570302 PDDAIXQOPASAGB-UHFFFAOYSA-N 363.465 3.507 0 40 FHAB CCCN1CNc2c(c(=O)[nH]c(=S)n2-c2ccc(Cl)c(Cl)c2)C1 19931911 WONNDXTVIIGXQC-UHFFFAOYSA-N 371.293 3.797 0 40 FHAB O=C(NCc1nccnc1-c1ccsc1)c1nc2ccccc2s1 575617863 AJZMTGRQPNXOAZ-UHFFFAOYSA-N 352.444 3.745 0 40 FHAB CCOc1ccc2nc(S[C@@H](C)c3nnnn3-c3ccccc3)[nH]c2c1 40123136 YLPCCWFSCSLLEG-LBPRGKRZSA-N 366.450 3.791 0 40 FHAB CCCc1nnc(NC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)s1 40130649 SBEPYOYCOHBMQT-UHFFFAOYSA-N 373.457 3.613 0 40 FHAB Fc1ccc(-n2ncc3c2ncn2c(-c4ccccc4Cl)nnc32)cc1 2404285 IPVHKURFCOPNRH-UHFFFAOYSA-N 364.771 3.923 0 40 FHAB COC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@@H]1c1ccccc1F 16494987 FSHGNKJXLYZAFC-MRXNPFEDSA-N 360.410 3.601 0 40 FHAB CCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1C(C)C 1364227 JARKUIJRAJINNF-UHFFFAOYSA-N 360.483 3.745 0 40 FHAB CCn1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c2ccccc21 16402788 ABAJCPHLDPMLMN-LBPRGKRZSA-N 371.824 3.894 0 40 FHAB O=C(Cc1cnc(-n2cccc2)s1)N1CCC(Cc2ccccc2)CC1 20745049 RETAJUHEOMAFQN-UHFFFAOYSA-N 365.502 3.958 0 40 FHAB COc1cc(Br)c(C(=S)N2CCC(C)CC2)cc1OC 6591534 POJSGVOLXXXZIM-UHFFFAOYSA-N 358.301 3.874 0 40 FHAB CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S 6884184 SBBVZUZRASCCJH-BCMYLCSRSA-N 373.858 3.790 0 40 FHAB CCOc1ccc(C(=O)CSc2ccc(C(=O)N3CCCC3)cn2)cc1 32789451 NXALDMPQIICFCJ-UHFFFAOYSA-N 370.474 3.691 0 40 FHAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1C 32754982 HYMCMZWUBSBBSX-UHFFFAOYSA-N 372.368 3.773 0 40 FHAB Cc1cccc(Oc2ccc(Cl)cc2NC(=O)C2=NN(C)C(=O)CC2)c1 32836574 QQRXAAFJBQGFDG-UHFFFAOYSA-N 371.824 3.987 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)C2CCN(Cc3ccccc3)CC2)c1 9062800 FZUHASPTLJGGBO-UHFFFAOYSA-N 366.461 3.632 0 40 FHAB Cc1ccc([C@H](O)CNC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1 41455434 HDZYEMCZSODWHX-QGZVFWFLSA-N 356.809 3.767 0 40 FHAB O=C(CCCC(=O)N1C(=O)OC[C@H]1c1ccccc1)c1ccc(F)cc1 22058173 XXSSRSVXDNUAQX-KRWDZBQOSA-N 355.365 3.899 0 40 FHAB in-vitro COCCCC(=O)N[C@@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 53261615 JKHSKLFXAOENQF-HNNXBMFYSA-N 355.438 3.934 0 40 FHAB C[C@H](OC(=O)Cc1csc(-c2ccccc2)n1)C(=O)Nc1ccccc1 23051059 OLNQIGSBLZXODY-AWEZNQCLSA-N 366.442 3.923 0 40 FHAB O=C(CCc1nc(-c2ccsc2)no1)OCc1nc2ccccc2o1 22018342 YSENBPONEDJLQJ-UHFFFAOYSA-N 355.375 3.615 0 40 FHAB COc1cccc([C@@H](CNC(=O)N(C)[C@H](C)c2ccc(F)cc2)N(C)C)c1 54920957 DTFYVCJYJONCRC-FOIQADDNSA-N 373.472 3.840 0 40 FHAB O=c1[nH]c(CN2CCC(c3ccc(O)cc3)CC2)nc2ccc(Cl)cc12 55103182 FMYZKWQBSKPGEZ-UHFFFAOYSA-N 369.852 3.662 0 40 FHAB COC(=O)C[C@@H](NC(=O)c1ccccc1Br)c1cccs1 24840443 XJYJNRMQDKMBRJ-GFCCVEGCSA-N 368.252 3.545 0 40 FHAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1cn(C)c2ccccc12 8170668 FDWOACILWTVSKK-UHFFFAOYSA-N 355.825 3.542 0 40 FHAB Cc1ccc(NC(=O)Cc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc1 55494345 MDGADYHGTQVRAY-LBPRGKRZSA-N 367.474 3.599 0 40 FHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCN(Cc2c(F)cccc2Cl)CC1 107325956 SUQDRHNFGJGRBG-HRCADAONSA-N 364.892 3.950 0 40 FHAB C[C@H](NC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1)c1cccs1 26244355 RQBGYRHDYSKERD-UONOGXRCSA-N 355.467 3.792 0 40 FHAB Cc1cc(C)c(NC(=O)[C@H](C)N2CCN(c3ccccc3)CC2)c(C)c1 57024229 UTEPNNRQBPFYBK-IBGZPJMESA-N 351.494 3.761 0 40 FHAB C[C@H](O)[C@]1(O)CC[C@H]2[C@@H]3CC[C@@]4(C)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118915095 UUNZVNLAFCAUHR-PUQKATQSSA-N 350.543 3.892 0 40 FHAB CCOc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1)O[C@H](C)C2 12560506 AMDNIZPUHLDGSJ-LLVKDONJSA-N 367.854 3.863 0 40 FHAB O=C(C[C@@H]1Sc2ccccc2NC1=O)NCC1(c2ccccc2)CCC1 10221476 NGGQIDPEZPPXQG-SFHVURJKSA-N 366.486 3.728 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccccc1 58217814 KKYAIEKTRKZKKB-NRFANRHFSA-N 374.488 3.535 0 40 FHAB Cc1nc(NC[C@@H](O)c2ccc(F)c(F)c2)c2c3c(sc2n1)CCC3 58378565 GLTUPUXNNZFLMY-CQSZACIVSA-N 361.417 3.912 0 40 FHAB O=C(/C=C/c1ccccc1Br)Nc1ccccc1-n1cncn1 28024447 MHSAQEBCNHUTCG-MDZDMXLPSA-N 369.222 3.682 0 40 FHAB Cc1ccc(-c2cc(C(=O)N3CCCN(C)CC3)c3ccccc3n2)cc1 3236415 GPTALSCLHFVBBX-UHFFFAOYSA-N 359.473 3.988 0 40 FHAB Cc1nnc([C@@H](C)Sc2cc(C(=O)NC3CC3)c3ccccc3n2)o1 48188815 VSIDVZPKAZSOJP-SNVBAGLBSA-N 354.435 3.672 0 40 FHAB COc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c(OC)c1 12747349 SRELVIOEHCSHEI-UHFFFAOYSA-N 353.418 3.794 0 40 FHAB COc1ccccc1C(=O)NCC(=O)Nc1ccc2c(c1)-c1ccccc1C2 12797839 RFKZJLYEIXFUNW-UHFFFAOYSA-N 372.424 3.635 0 40 FHAB Cc1ccccc1-n1cnnc1S[C@@H](C(=O)NC1CC1)c1ccccc1 12794075 ICTNILLYPRSXCG-GOSISDBHSA-N 364.474 3.688 0 40 FHAB O=C1CCC(C(=O)N2CCC[C@@H]2c2ccsc2)=NN1Cc1ccccc1 48277930 JOZMAZZBEORHOW-GOSISDBHSA-N 367.474 3.590 0 40 FHAB O=c1c(Cl)cc(C(F)(F)F)cn1Cc1nc(-c2cccs2)no1 12909086 LTKDFCORMGDNBX-UHFFFAOYSA-N 361.732 3.680 0 40 FHAB Cc1cccc2c(=O)n(CC(=O)N(C)[C@H](C)c3ccc(Cl)cc3)cnc12 12923926 DMWKSGIYEFSLDL-CQSZACIVSA-N 369.852 3.578 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)NCc1cccc(NC(=O)C2CC2)c1 12993623 QHKHJVWQRZMWDT-CQSZACIVSA-N 367.449 3.604 0 40 FHAB CCOC(=O)c1oc2ccccc2c1COC(=O)Cc1cccc(OC)c1 12950843 FUFBIDJEQPLWFQ-UHFFFAOYSA-N 368.385 3.904 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 13012076 ZWOWCGKXFBOVBK-SJORKVTESA-N 364.449 3.563 0 40 FHAB COC(=O)c1ccccc1NC(=O)c1occc1COc1ccccc1 13001595 GHKOWFGZWJYQLD-UHFFFAOYSA-N 351.358 3.898 0 40 FHAB O=C(Nc1sc2c(c1C(=O)NC1CC1)CCCCCC2)c1ccncc1 13329453 DJOZTCKFKUCQNP-UHFFFAOYSA-N 369.490 3.947 0 40 FHAB CCOc1ccc(NC2=C(Cl)C(=O)N(Cc3ccc(F)cc3)C2=O)cc1 5012221 YFTZSXOROHMBRI-UHFFFAOYSA-N 374.799 3.656 0 40 FHAB COc1ccccc1C(=O)N(Cc1cc2ccccc2[nH]c1=O)C(C)C 13777512 BOIVKXOMBLJZMZ-UHFFFAOYSA-N 350.418 3.588 0 40 FHAB O=C(Nc1ccccc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 5184630 CYPXLXNUPOKZHD-UHFFFAOYSA-N 352.415 3.740 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1ccco1 5194232 ZCZNFLDLHDARFG-VIFPVBQESA-N 358.619 3.779 0 40 FHAB COc1ccc(NC(=O)CCc2nc(-c3ccccc3Cl)no2)cc1 4384129 TUGYYMGDNDXTEG-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)c2cc(Cl)c(OC)c(OC)c2)c1 6235631 CDNASTXZRQRANR-UHFFFAOYSA-N 363.797 3.705 0 40 FHAB CCCCn1nc(C(=O)NCc2ccccc2Cl)c2ccccc2c1=O 6398161 MZDWYXPXTXROSY-UHFFFAOYSA-N 369.852 3.780 0 40 FHAB CC(C)NC(=O)[C@@H](c1ccccc1)[C@@H](C(=O)NC(C)C)c1ccccc1 18193540 IOTOCXXXGKIUAM-PMACEKPBSA-N 352.478 3.603 0 40 FHAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2ccccc2Cn2ccnc2)o1 29207120 FLLDICOBGRAXQN-HGIXYHNESA-N 361.445 3.977 0 40 FHAB CN(C)[C@H](CNC(=O)CSc1ccc2ccccc2n1)c1ccccc1 5627314 PSNJMXHAYWJLEX-LJQANCHMSA-N 365.502 3.746 0 40 FHAB CCOc1ccc(-n2c(C)nc3c(cnn3-c3ccc(C)cc3)c2=O)cc1 4971972 UQKSCLSTDRHYAH-UHFFFAOYSA-N 360.417 3.587 0 40 FHAB NC(=O)c1cc(Cl)ccc1OCC(=O)Nc1cccc2ccccc12 7022542 XAEVWZFYBZLCTL-UHFFFAOYSA-N 354.793 3.610 0 40 FHAB Clc1ccc(-c2noc(CSc3nnnn3-c3ccccc3)n2)cc1 7337887 NHSBMUZKXQLMRZ-UHFFFAOYSA-N 370.825 3.658 0 40 FHAB O=C(Nc1nnc(CCCOc2ccccc2)s1)c1ccccc1F 9227159 MPULTVGELFGSQN-UHFFFAOYSA-N 357.410 3.941 0 40 FHAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc21 15867557 ZARDUKOEXGAUIT-UHFFFAOYSA-N 371.462 3.584 0 40 FHAB CC[C@H](Oc1ccccc1OC)C(=O)NCc1cccc(OC(C)C)c1 113960871 QQFGJBGRFGHRDT-SFHVURJKSA-N 357.450 3.956 0 40 FHAB COC(=O)c1cccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)c1 7737257 WFIZAJSYVBMZMS-UHFFFAOYSA-N 370.386 3.544 0 40 FHAB O=C(CCC(=O)c1ccc(F)cc1)Nc1ccccc1N1CCCC1=O 16105432 HRWFVGPUDJNZTA-UHFFFAOYSA-N 354.381 3.554 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1 20427325 YAUXHJHPABATNP-KDOFPFPSSA-N 358.825 3.507 0 40 FHAB CC[C@H](Sc1nc(-c2ccc(C)cc2)n[nH]1)C(=O)Nc1cc(C)on1 9885156 RMPBFJKTNKWVRF-ZDUSSCGKSA-N 357.439 3.586 0 40 FHAB CC(C)[C@H](NS(=O)(=O)CC1CCCCC1)c1ccc2c(c1)OCCO2 72230432 VTLKKEVKBMHJNY-IBGZPJMESA-N 367.511 3.655 0 40 FHAB Cc1ccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C(N)=O)cs2)o1 75574235 WWDMSBFMLXAQPO-UHFFFAOYSA-N 361.810 3.716 0 40 FHAB Cc1cc(C)n([C@@H](C)c2nc(-c3cc(Br)cs3)no2)n1 74446250 YMQXRCXYSDYCEM-VIFPVBQESA-N 353.245 3.983 0 40 FHAB O=C(COc1ccc(C(=S)N2CCCCC2)cc1)NCc1ccccc1 409246122 FHJIVGASFXOPFB-UHFFFAOYSA-N 368.502 3.543 0 40 FHAB O=C(Nc1cccc(NC(=O)c2cccc3nccnc23)c1)c1ccccn1 35311256 PFUONOBOEMURPP-UHFFFAOYSA-N 369.384 3.529 0 40 FHAB CC(C)c1ccc(OCCNS(=O)(=O)c2cccc3cnccc23)cc1 515760568 BHTFYOWIXICFJW-UHFFFAOYSA-N 370.474 3.716 0 40 FHAB CN(C)[C@H](CNc1ccccc1S(=O)(=O)C(F)(F)F)c1ccccc1 32809714 IKLXPQYSEVLZLI-OAHLLOKOSA-N 372.412 3.695 0 40 FHAB Cc1ccc(Oc2ccc(OCC(=O)NCCc3ccncc3)cc2)cc1 532437789 UIUYWJHMDTYNPM-UHFFFAOYSA-N 362.429 3.920 0 40 FHAB O=C(NC[C@]1(C(=O)O)CC1(F)F)OCC1c2ccccc2-c2ccccc21 1536221613 WZQHVMJRCRWAAT-IBGZPJMESA-N 373.355 3.635 0 40 FHAB Cc1cnc(Br)c(NC(=O)C2=NO[C@H](c3ccccc3)C2)c1 1538309014 DPHFJNJDYNNHDR-AWEZNQCLSA-N 360.211 3.609 0 40 FHAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 36612227 HERQIAJKGCAMKP-BCWBERDBSA-N 359.731 3.820 0 40 FHAB CNc1ccncc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 72210688 WGCLIDBLKVVJIC-UHFFFAOYSA-N 367.474 3.514 0 40 FHAB Cc1ccccc1CSc1nccn(-c2ccc3c(c2)OCCO3)c1=O 9753184 YWSSNGCSHPJQRL-UHFFFAOYSA-N 366.442 3.604 0 40 FHAB CCCC(=O)N1CCC[C@@H](c2nccnc2Oc2ccccc2OC)C1 72361905 BXTRDBMLHSQZKO-OAHLLOKOSA-N 355.438 3.784 0 40 FHAB CC(C)c1ccccc1O[C@H](C)C(=O)NC[C@@H]1COc2ccccc2O1 225266156 WHEGZKRODJFTPC-HZPDHXFCSA-N 355.434 3.534 0 40 FHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN(C)c1ccccc1 223322416 VIXWMMPCNLRSFQ-GOSISDBHSA-N 366.505 3.975 0 40 FHAB CSc1ncccc1C(=O)NCc1ccc(Oc2nccs2)cc1 225646970 MRTDYVBXAHWQKD-UHFFFAOYSA-N 357.460 3.982 0 40 FHAB COc1ccc(S(=O)(=O)N(C)c2cccc(F)c2)c(Cl)c1Cl 224624491 DQCGVQMCRMTOKH-UHFFFAOYSA-N 364.225 3.966 0 40 FHAB Cc1cnc(NC(=O)c2cn(-c3cccc(C(F)(F)F)c3)cn2)s1 226751380 IDFCMTHZQRWFLL-UHFFFAOYSA-N 352.341 3.908 0 40 FHAB O=C(NCCc1cnc(-c2ccccc2)nc1)c1cc(-c2ccccc2)on1 225592324 XXUYQKCZHOPGEZ-UHFFFAOYSA-N 370.412 3.771 0 40 FHAB CC(=O)Nc1cccc(NC(=O)CCn2cc(C(C)=O)c3ccccc32)c1 40288262 QFEARNKDHJPTDF-UHFFFAOYSA-N 363.417 3.831 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 224122976 VIPSQTWOEXZIJH-OAQYLSRUSA-N 366.505 3.789 0 40 FHAB COc1ccc(SCC(=O)N[C@@H]2CCCc3ccccc32)cc1OC 44848624 DAPAZRUGMHMMAA-QGZVFWFLSA-N 357.475 3.990 0 40 FHAB Cc1cccc(-c2noc(CNC(=S)Nc3ccc(F)cc3F)n2)c1 225814818 DZTBSOMYRVNQOK-UHFFFAOYSA-N 360.389 3.810 0 40 FHAB O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1nc(-c2ccccc2)no1 98212259 SLRRSQYAMUQRCP-KRWDZBQOSA-N 351.381 3.782 0 40 FHAB CC(C)c1cc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)n(-c2ccccc2)n1 95474671 FQYHUSDAYMMPIR-VGOFRKELSA-N 367.493 3.763 0 40 FHAB O=C(NC1CC1)N1CCC2(CC1)CC(=O)N(c1ccoc1)c1ccccc12 96080284 KTARKJBSYAVWBG-UHFFFAOYSA-N 365.433 3.554 0 40 FHAB Fc1ccccc1CN(Cc1ccnn1[C@H]1CCCCO1)C[C@H]1CCCO1 247540861 SDBCIURBGJXRHL-TZIWHRDSSA-N 373.472 3.903 0 40 FHAB COc1ccc([C@H]2C[C@@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1OC 257332407 XXFJUBRBLVHELW-IDSBWOBGSA-N 361.482 3.865 0 40 FHAB COc1ccc(C(=O)N2CCN(c3ccccc3F)C[C@H]2C)c(C)c1OC 585082522 CAIGUEASOMAGHR-CQSZACIVSA-N 372.440 3.502 0 40 FHAB COc1ccc(-c2c[nH]c(CNC(=O)c3nc4ccccc4s3)n2)cc1 85557945 FZFCYLWLWHWJAQ-UHFFFAOYSA-N 364.430 3.625 0 40 FHAB O=C(O)[C@@H]1CN(Cc2nc(-c3cccc(Cl)c3)no2)Cc2ccccc21 652470725 IMOALKFOPULRQG-MRXNPFEDSA-N 369.808 3.574 0 40 FHAB CCSCc1nnc2sc(/C=C/c3ccc(OC)c(OC)c3)nn12 1776111053 QOMZCARXEASVOM-SOFGYWHQSA-N 362.480 3.627 0 40 FHAB CC(C)Cn1ccc2cc(NC(=O)c3ccc4c(c3)OCC(=O)N4)ccc21 58138593 DTGZEOXOPPVNFE-UHFFFAOYSA-N 363.417 3.881 0 40 FHAB O=C(Nc1cccc2ccccc12)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 5193923 NWYSRVPSISQLTA-INIZCTEOSA-N 363.392 3.906 0 40 FHAB O=C(NC1(c2ccc(Cl)cc2)CCC1)c1cccc(-n2cnnc2)c1 12238624 XOTRHCKCZHYMJS-UHFFFAOYSA-N 352.825 3.730 0 40 FHAB COc1ccc(C(=O)Nc2ccccc2OCC(F)(F)F)c(OC)c1 14127458 YVPGYEDYFRNTQG-UHFFFAOYSA-N 355.312 3.897 0 40 FHAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(Cn3cccn3)c2)c(C)c1 14232507 FIOIRFZMVXHVEX-UHFFFAOYSA-N 355.463 3.657 0 40 FHAB O=c1c(Cl)c(N2CCC[C@H](C(F)(F)F)C2)cnn1-c1ccccc1 14093610 ANDQZDRWMJRABH-NSHDSACASA-N 357.763 3.665 0 40 FHAB Cc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)cc1 15935482 PNRDYOQRJIGKBD-QGZVFWFLSA-N 369.440 3.694 0 40 FHAB Cc1cccc2c(C[C@@H](C)NC(=O)CCn3ncc4c3CCCC4)c[nH]c12 19236612 LRLONXDFFYUREG-MRXNPFEDSA-N 364.493 3.689 0 40 FHAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Cn2nc(C)nc2C)c2ccccc12 19285888 GWQZSPRFJAMJBR-UONOGXRCSA-N 366.465 3.570 0 40 FHAB C[C@@H](CCN1CCC(c2ncc3c(n2)CCN(C)C3)CC1)c1ccccc1 19455640 FANGBTARIGBBFH-SFHVURJKSA-N 364.537 3.838 0 40 FHAB COc1ccccc1C(=O)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1 19568731 JZBQZMFQZYHLDK-SFHVURJKSA-N 362.433 3.848 0 40 FHAB CC(C)(C)OC(=O)N1CCC(CC(=O)O)(c2ccc(F)c(F)c2)CC1 167842982 QEKIKKJOUCBMED-UHFFFAOYSA-N 355.381 3.708 0 40 FHAB O=C(O)c1cc(CN2CCC(Cc3nc(C4CCC4)no3)CC2)cs1 629372812 IBFZOKYNOHEMIC-UHFFFAOYSA-N 361.467 3.552 0 40 FHAB C[C@@H](NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1)c1ccccc1 22457811 VRSUOXCZMVLYDN-MRXNPFEDSA-N 356.429 3.971 0 40 FHAB CCOc1ccc2nc(NC(=O)c3ccc(OC)c(OC)c3)sc2c1 652845 XLBOIGRSRMTGES-UHFFFAOYSA-N 358.419 3.965 0 40 FHAB Cc1cccc(Cn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)c1 4479139 SIPSXWYMYLQGJA-UHFFFAOYSA-N 350.809 3.592 0 40 FHAB COC(=O)c1ccc(NC(=O)c2csc(Nc3ccccc3)n2)cc1 23136786 WPCDATLJQHVPJV-UHFFFAOYSA-N 353.403 3.926 0 40 FHAB CC(=O)Nc1ccc(C(=O)NCc2cncc(-c3ccsc3)c2)cc1 206945773 LHWCKXLCSDYMBQ-UHFFFAOYSA-N 351.431 3.699 0 40 FHAB CCOc1ccc(NC(=O)NC[C@](O)(c2ccsc2)c2ccco2)cc1 245026603 NCUHDYDNTJDWAX-IBGZPJMESA-N 372.446 3.797 0 40 FHAB CC(C)(C)C(=O)Nc1ccc(-c2nc3ccccc3o2)c(OCC(=O)O)c1 20158119 HZTHPEWSPOHHJP-UHFFFAOYSA-N 368.389 3.943 0 40 FHAB CC(C)(C)C(=O)Nc1nc(CC(=O)N2CC3(CC3)c3ccccc32)cs1 80418217 BUBSUYUECSEMJQ-UHFFFAOYSA-N 369.490 3.749 0 40 FHAB CCOC(=O)[C@H]1CCCN(C(=O)CCSc2ccc(Cl)cc2)C1 6350182 TTZMOGDDPVIQQZ-ZDUSSCGKSA-N 355.887 3.624 0 40 FHAB Cc1ccc(C(=O)C2CCN([C@H](C)C(=O)NC3CCCC3)CC2)c(C)c1 40086182 QWNSBVMWZMCTBX-QGZVFWFLSA-N 356.510 3.645 0 40 FHAB O=C(NC1CCCC1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 40073453 SMMANBUMIHLBEB-OAHLLOKOSA-N 355.265 3.657 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(N2CCCC2)c(F)c1 40152655 FOSHOQSUUDSMCO-UHFFFAOYSA-N 352.406 3.674 0 40 FHAB CC(=O)N[C@H]1C(=O)N(CCCOc2cccc(C)c2)c2c(C)cc(C)cc21 100485683 SVAUNLNIFHZQES-HXUWFJFHSA-N 366.461 3.605 0 40 FHAB CN(CCOc1ccccc1)Cn1nc(-c2ccccc2F)[nH]c1=S 28705786 KMOOFWWHPVBVQL-UHFFFAOYSA-N 358.442 3.715 0 40 FHAB O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 7765783 YLWBYLAGHAQHFN-GOSISDBHSA-N 360.413 3.934 0 40 FHAB CCCCCCNC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 36703384 KCNLQNLNPXASKA-UHFFFAOYSA-N 364.445 3.793 0 40 FHAB C[C@H]1c2ccsc2CCN1C(=O)CCc1nc(-c2ccccc2)no1 7830487 UMRBXMXQKCOCBY-ZDUSSCGKSA-N 353.447 3.877 0 40 FHAB Nc1ccc(C(=O)c2ccc(N)c(Br)c2)cc1Br 4365596 DGQOTSSECYSWIZ-UHFFFAOYSA-N 370.044 3.607 0 40 FHAB O=C(Nc1cccc(NC(=O)NC2CCCCC2)n1)NC1CCCCC1 6276658 SGYOFTPOGOBISN-UHFFFAOYSA-N 359.474 3.990 0 40 FHAB C[C@H](NC(=O)NCc1ccccc1CN1CCCC1=O)c1ccccc1F 32779672 OHIVERLQHHHUGI-HNNXBMFYSA-N 369.440 3.509 0 40 FHAB Cc1ccccc1-n1ccnc1SC[C@H](O)COc1ccc(F)cc1 32751140 NTLNTWYOMALMAU-MRXNPFEDSA-N 358.438 3.852 0 40 FHAB CS(=O)(=O)Nc1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 10371696 JYIQBVRBRMNASZ-UHFFFAOYSA-N 359.234 3.617 0 40 FHAB Cc1cc(C)cc(NC(=O)c2cccc(NC(=O)CCCC(=O)O)c2)c1 8434578 MQZFOHBIXUHLCH-UHFFFAOYSA-N 354.406 3.749 0 40 FHAB CCc1cccc(C)c1NC(=O)CSc1nc2sccc2c(=O)[nH]1 8456655 JPYYPMIWEBCMKK-UHFFFAOYSA-N 359.476 3.586 0 40 FHAB O=C(Nc1ccccc1)c1ccc(COC(=O)[C@H]2Cc3ccccc3O2)cc1 29897274 FBQNBKSOXIBAFS-OAQYLSRUSA-N 373.408 3.986 0 40 FHAB Cc1sc(N2CCC[C@@H](C)C2)nc1-c1ccc(NS(C)(=O)=O)cc1 71971924 DOZGVRMGWOZLMW-GFCCVEGCSA-N 365.524 3.726 0 40 FHAB Cc1cc(C)cc(-n2ccnc(NC(=O)Nc3ccc(F)cc3)c2=O)c1 21729949 LQMYUAZWPCQMBV-UHFFFAOYSA-N 352.369 3.632 0 40 FHAB CCC[C@H](C(=O)NC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 53392870 WTNNUCIEJPAZDN-NRFANRHFSA-N 364.489 3.991 0 40 FHAB Cc1ccc(CSCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 113934989 CFHGBKDQUHSHNH-UHFFFAOYSA-N 369.534 3.619 0 40 FHAB O=C(CCC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)c1cccs1 23134642 SVQBOAMQKNBELG-UHFFFAOYSA-N 356.422 3.916 0 40 FHAB O=C(Nc1cccc(OCCn2ccnc2)c1)c1ccccc1OC(F)F 42706257 VPCWXUAZJWOBLT-UHFFFAOYSA-N 373.359 3.816 0 40 FHAB Cc1cc(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)c2ccccc2n1 12532060 ZLUMIMWBVKEOOZ-HXUWFJFHSA-N 374.419 3.935 0 40 FHAB CCc1nnc2sc(SCc3ccc(Cl)cc3Cl)nn2c1=O 28561889 DDTQVIYDQSMJQM-UHFFFAOYSA-N 373.290 3.708 0 40 FHAB Cc1ccc(-n2cc(C(=O)NCc3ccc(OC(C)C)cc3)nn2)cc1C 67261934 MKTAUORRHPSBRV-UHFFFAOYSA-N 364.449 3.601 0 40 FHAB Cc1ccc2cc(C(=O)N3CCC(C(=O)N4CCC(C)CC4)CC3)[nH]c2c1 58192609 MJGKQEODZHFAQA-UHFFFAOYSA-N 367.493 3.587 0 40 FHAB Cc1cc(N[C@H](C)C(=O)Nc2c(F)cccc2F)ccc1N1CCCC1=O 10750375 RPBZUOQOQIPBSK-CYBMUJFWSA-N 373.403 3.839 0 40 FHAB O=Cc1cn(CC(=O)Nc2ccc(Br)cc2)c2ccccc12 2319802 CZBHXBCXMHNIHM-UHFFFAOYSA-N 357.207 3.855 0 40 FHAB CCOc1ccc(-c2nnc3sc(-c4cccc(OC)c4)nn23)cc1 2383881 LNMMGMQVLIIGKK-UHFFFAOYSA-N 352.419 3.927 0 40 FHAB COc1cccc2cc([C@H](C)NC(=O)Cn3ccc(C(F)(F)F)n3)oc12 58712402 WYJZYHVYMYIYBT-JTQLQIEISA-N 367.327 3.534 0 40 FHAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(-c2nnn[nH]2)cc1 12756877 KBSSQJHBZDBQOP-FQEVSTJZSA-N 369.428 3.581 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)COc2ccc(C(C)=O)cc2)cc1 12760925 UGOGPWDZGXTSEB-HXUWFJFHSA-N 353.418 3.640 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c1 8160857 LPGREAKDPYLYAB-OXJNMPFZSA-N 355.434 3.959 0 40 FHAB COc1ccc2oc(C(=O)NC[C@@H](c3ccccc3)N(C)C)c(C)c2c1 12860847 UCWOOPQBWMKXGH-SFHVURJKSA-N 352.434 3.783 0 40 FHAB CSc1ccccc1C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 12845467 VPTTXZQBIAWWQR-UHFFFAOYSA-N 363.866 3.806 0 40 FHAB Cc1ccc(CNC(=O)COc2cc(Cl)c(Cl)cc2Cl)n1C 3443058 QKPABOOWCBEDTJ-UHFFFAOYSA-N 361.656 3.989 0 40 FHAB O=C(CCCNC(=O)c1ccsc1)Nc1cccc(Br)c1 12999688 NDHVGBVPUMPEBK-UHFFFAOYSA-N 367.268 3.659 0 40 FHAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@H]1CCCN(c2ncccn2)C1 12934910 LYYINPQWQOTVLN-SFHVURJKSA-N 366.509 3.649 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 12974663 MRBRBQZXPWWLGH-ZIAGYGMSSA-N 370.840 3.565 0 40 FHAB Cc1ccc(N2C(=O)N(Cc3cn4cc(Cl)ccc4n3)C(=O)[C@@H]2C)cc1 13059560 WFMKMQQEMLAZBL-ZDUSSCGKSA-N 368.824 3.653 0 40 FHAB COc1ccc(F)cc1CSc1nnc(-c2ccc3c(c2)OCO3)o1 8231247 KMNYCJQEKXFHLI-UHFFFAOYSA-N 360.366 3.905 0 40 FHAB CCOc1ccc(OCc2ccc(C(=O)OCCN3CCCCC3)o2)cc1 4124697 ZEARTHORBJGULD-UHFFFAOYSA-N 373.449 3.900 0 40 FHAB CC[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(OC)cc1Cl 27588352 YRYYCCIGTYHALT-SNVBAGLBSA-N 352.283 3.955 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1nonc1-c1ccc(OC)cc1 5422262 FNNCPKKHDNGDAO-HNNXBMFYSA-N 371.368 3.680 0 40 FHAB O=C(Nc1ccccc1)c1ccc(N2CCCCS2(=O)=O)cc1Cl 5438751 XIYOOXPWKHBWON-UHFFFAOYSA-N 364.854 3.522 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)[nH]1 8919026 XURXASLCQXLDOG-CYBMUJFWSA-N 353.447 3.659 0 40 FHAB CC(C)c1ccc(NC(=O)c2nnn(Cc3ccc(Cl)cc3)c2N)cc1 4852285 OOJKOVXQCHVACU-UHFFFAOYSA-N 369.856 3.938 0 40 FHAB C[C@H]1C[C@H](CC(=O)NCCc2n[nH]c(=S)n2C2CC2)CC(C)(C)C1 67078390 IHXIGXIVPARNNU-QWHCGFSZSA-N 350.532 3.787 0 40 FHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CSCc1cccs1 7523333 TVDGWJHAYOXIAK-UHFFFAOYSA-N 362.520 3.695 0 40 FHAB CSc1ccccc1NC(=O)/C=C/c1nnc2c3ccccc3cnn12 9154103 VPCXAIJJVPONPP-ZHACJKMWSA-N 361.430 3.651 0 40 FHAB C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@H](C2(C)OCCO2)C1 96010286 MEXPBVAXDGXMCY-ZIAGYGMSSA-N 369.914 3.822 0 40 FHAB O=C(N[C@H]1CCCc2c1[nH]c1ccc(F)cc21)c1ccc2c(c1)OCO2 96116686 DZWKHKDVBVFEQR-INIZCTEOSA-N 352.365 3.843 0 40 FHAB O=C(NCc1ccc(Oc2ccccc2)nc1)[C@@H]1COc2ccccc2C1 89845835 UEDSLLGUYSZPMP-SFHVURJKSA-N 360.413 3.741 0 40 FHAB C[C@H](NC(=O)N1CCOC[C@@H]1C1CC1)c1nc(-c2ccccc2)cs1 89897058 ROQVKMDKNIEHEM-SUMWQHHRSA-N 357.479 3.692 0 40 FHAB O=C(NCC1(c2ccc(F)cc2)CCCCC1)[C@@H]1CCCN1C(=O)C1CC1 98106291 LXFQCJGGZZPYFC-IBGZPJMESA-N 372.484 3.545 0 40 FHAB COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc12 408902773 LDCZTMWINHNGLG-UNOMPAQXSA-N 358.422 3.619 0 40 FHAB CC(C)CC1=NN(C(=O)CSCc2ccccc2)[C@](O)(C(F)(F)F)C1 409361415 RSWSPQOFGJQESG-MRXNPFEDSA-N 374.428 3.805 0 40 FHAB CN(C)c1ccc(-c2noc([C@@H]3CCCN3Cc3cccs3)n2)cn1 35426275 MKIWBGXYROHMSJ-HNNXBMFYSA-N 355.467 3.596 0 40 FHAB biogenic,in-vitro CC[C@@H](C)N1C(=O)c2ccc(C(=O)Nc3ccc4[nH]ccc4c3)cc2C1=O 32095086 XOYUNAGUIULEIT-GFCCVEGCSA-N 361.401 3.815 0 40 FHAB COc1ccc(-c2noc(CCCC(=O)NCc3ccc(C)cc3)n2)cc1 31491486 VZZQKCLXHXUFQK-UHFFFAOYSA-N 365.433 3.693 0 40 FHAB COc1cccc(-c2noc([C@H]3CCN(Cc4ccccc4OC)C3)n2)c1 72369878 ALDXGPHIUFUNHG-KRWDZBQOSA-N 365.433 3.743 0 40 FHAB CCCNC(=O)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 38501090 OOZXFYZTVPNLTO-UHFFFAOYSA-N 353.397 3.730 0 40 FHAB Cc1ccccc1Cc1cccc(C2CCN(C(=O)c3cc[nH]n3)CC2)n1 72349796 FVPYHACLROVGFO-UHFFFAOYSA-N 360.461 3.724 0 40 FHAB Cc1ccc(Nc2nccc([C@H]3CCCN(Cc4ccncc4)C3)n2)nc1 72377621 YHWVUCGNDKACPW-SFHVURJKSA-N 360.465 3.698 0 40 FHAB O=C(Nc1cn(Cc2ccccc2)nn1)N(Cc1ccc(F)cc1)C1CC1 566022177 VQFDVRYKHIBMTK-UHFFFAOYSA-N 365.412 3.662 0 40 FHAB O=C(c1cccc2ncccc12)N1CCC(n2c(=O)oc3ccccc32)CC1 72347847 MXXWGIXMBIAJLQ-UHFFFAOYSA-N 373.412 3.620 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)CCOc2ccccc2)cc1OC 40042759 CMPJGUJPYYAIOZ-SFHVURJKSA-N 355.434 3.836 0 40 FHAB CCOc1ccc(C(=O)N[C@H](C)COC)cc1COc1ccc(C)cc1 224473353 IBTQDURJHLZVNR-MRXNPFEDSA-N 357.450 3.737 0 40 FHAB CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cn1 225873025 RXOGTKUPHGSTST-UHFFFAOYSA-N 354.450 3.866 0 40 FHAB O=C(Cn1ccc(=O)c2cc(Cl)ccc21)NCc1ccc(Cl)cc1 225722175 MCIQVLNOXLVLQE-UHFFFAOYSA-N 361.228 3.625 0 40 FHAB C[C@]1(c2cccs2)NC(=S)N(c2ccc(Br)cc2)N1 225343214 JVQKVAJSRSOYMR-ZDUSSCGKSA-N 354.298 3.583 0 40 FHAB Cc1ccc(CN(C(=O)Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)C)cc1 225534790 ZYQGPYNEBRZCPN-IBGZPJMESA-N 366.505 3.788 0 40 FHAB O=C(NCc1ccnc(N2CCCC2)n1)C(c1ccccc1)c1ccccc1 224199413 FZORMFOSQKMYFC-UHFFFAOYSA-N 372.472 3.525 0 40 FHAB COc1cc(NC(=O)NCCc2ccccc2OC)c(OC)cc1Cl 40103657 NYFUYKIMRNAQJS-UHFFFAOYSA-N 364.829 3.730 0 40 FHAB COc1cccc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)c1 222793972 HUSKGSSPVCDEFD-GOSISDBHSA-N 371.433 3.501 0 40 FHAB C[C@@H](C(=O)NCCCc1cccc(F)c1)N1C(=O)CCCc2ccccc21 227169269 CQLKSIABWHALCC-INIZCTEOSA-N 368.452 3.633 0 40 FHAB COC(=O)c1cccc(NC(=S)NCCCOC2CCCCC2)c1C 225617506 YMGCIQYDOHOAOK-UHFFFAOYSA-N 364.511 3.807 0 40 FHAB COc1ccc2c(ccn2CCC(=O)NCC2(CC(=O)O)CCCCC2)c1 40286993 CLIPEIDXMIVSIN-UHFFFAOYSA-N 372.465 3.581 0 40 FHAB CC(C)CC(=O)N[C@H](C)c1onc(-c2ccc(Cl)cc2)c1C(=O)O 96296953 VHIZCDHFAGONOC-SNVBAGLBSA-N 350.802 3.917 0 40 FHAB biogenic,in-vitro C[C@H]1CCN(Cc2cccc(S(=O)(=O)N(C)C)c2)[C@@H](c2ccco2)C1 247359083 HEQFLBVNPWBVIL-MAUKXSAKSA-N 362.495 3.503 0 40 FHAB Cc1cccc(COC[C@@H]2C[C@@H]3OCCN(Cc4cccs4)[C@H]3C2)n1 247882719 RWFYWQODYLASQT-VDGAXYAQSA-N 358.507 3.648 0 40 FHAB Cc1ccccc1CN1CC2(C1)OCC[C@H]2CCOCc1ccncc1 248134934 CIZBRPAVWPHJJA-OAQYLSRUSA-N 352.478 3.588 0 40 FHAB Cc1c(C(=O)N2[C@@H]3CN[C@@H]4CCCC[C@H]2[C@]4(C)C3)[nH]c2ccc(F)cc12 257299829 RRSZTQJIXWQQAL-ASTRLGPVSA-N 355.457 3.751 0 40 FHAB Clc1ccccc1Cc1cccc([C@@H]2CN(Cc3ncc[nH]3)CCO2)n1 257272418 NCIMMEFRADRUCQ-IBGZPJMESA-N 368.868 3.622 0 40 FHAB CN1[C@H](c2ccccc2)C[C@@]2(C)[C@@H]1CCCCCN2C(=O)c1cnccn1 257339374 ZBLFXNFWNIJUHG-ONTIZHBOSA-N 364.493 3.697 0 40 FHAB CC[C@@H](C(=O)NCc1cc(-c2ccco2)n(CCOC)n1)c1ccccc1 85556155 GRTNEQUYCZIDFJ-GOSISDBHSA-N 367.449 3.600 0 40 FHAB Cc1cc(C)c2c(CN3CCN(c4ccccc4F)CC3)cc(=O)oc2c1 54105978 GEROCZZYBKECQS-UHFFFAOYSA-N 366.436 3.871 0 40 FHAB biogenic Clc1ccc(C2=CCN(c3cncc(-n4cncn4)n3)CC2)cc1Cl 679706509 ZHJOQOFYENZKSO-UHFFFAOYSA-N 373.247 3.658 0 40 FHAB Cc1cccnc1[C@H](NC(=O)c1cc(C(F)(F)F)cnc1O)C(C)C 635568542 MLFVKBLMEDWYNG-CYBMUJFWSA-N 353.344 3.637 0 40 FHAB COc1ccc(-c2nc3cnccn3c2NCc2ccco2)c(OC)c1 12113800 FSJXRIBGFYVTDN-UHFFFAOYSA-N 350.378 3.619 0 40 FHAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cc(Cl)ccc1F 15610987 MCVKOLXYXJVISD-UHFFFAOYSA-N 363.744 3.728 0 40 FHAB CCOc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3F)c2)cc1 15883170 GGUAYPXOUNQPAM-UHFFFAOYSA-N 366.392 3.687 0 40 FHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)C12CC3CC(CC(C3)C1)C2 17973228 GAAKYKPBWFVUMW-UHFFFAOYSA-N 354.494 3.917 0 40 FHAB O=C(COC(=O)CCC1CCCC1)Nc1ccccc1Br 3248824 AKSHVZCVQUZQEB-UHFFFAOYSA-N 354.244 3.901 0 40 FHAB Cc1noc(C)c1C(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1888896991 WDWZFQYNKUXDBB-UHFFFAOYSA-N 370.840 3.908 0 40 FHAB COc1ccc2c(c1)OCCCCOCCN(Cc1cncc(C)c1)C2 2037989086 VAHAALKIQDYRJO-UHFFFAOYSA-N 356.466 3.590 0 40 FHAB Cc1cc(CNC(=O)c2nc(-c3cccs3)no2)c2ccccc2n1 1426828 SNONBSKKORJHGF-UHFFFAOYSA-N 350.403 3.585 0 40 FHAB CC1CCN(C(=O)CSc2nnc(-c3ccc(Cl)s3)o2)CC1 2720363 BCNXYEPVUXUKFF-UHFFFAOYSA-N 357.888 3.802 0 40 FHAB Cc1ccccc1Nc1nc([C@@]2(C)C[C@@]3(C[C@H](C)OC3=O)C(=O)O2)cs1 3999877 ZCVUCXZVBWBEDO-GESALYCCSA-N 372.446 3.679 0 40 FHAB COc1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3)s2)c(OC)c1 4072309 OTDDOTXQWQUJGK-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB O=C(CSc1c[nH]c2ccccc12)N1CCN(c2ccccc2)CC1 4224509 ZSRWOGFKTSCVCS-UHFFFAOYSA-N 351.475 3.609 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1N1CCCC1=O 5329585 IPCWVXVAKVZIAV-UHFFFAOYSA-N 370.883 3.638 0 40 FHAB COc1ccc2nc(-c3ccc(OC)c(NC(=O)c4ccccc4)c3)cn2n1 11693430 NWJHDYBNONCAII-UHFFFAOYSA-N 374.400 3.666 0 40 FHAB Cc1cc(OCC(=O)Nc2cccc(Cl)c2)nc(N2CCC[C@@H](C)C2)n1 44168797 IRQVRADQYVAARI-CYBMUJFWSA-N 374.872 3.692 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccccc2[C@@H](O)c2ccccc2)cc1 4833441 UXRSBYYQHJSRHW-FQEVSTJZSA-N 353.443 3.878 0 40 FHAB C[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1C(=O)O 2583058 YLOIPWYYPLYLFH-BFUOFWGJSA-N 351.402 3.731 0 40 FHAB c1ccc(-n2nnnc2N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 7979815 PCPBASKFYVRZGI-CQSZACIVSA-N 362.462 3.656 0 40 FHAB Cc1noc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)Nc3ccccn3)c12 36618357 YSSIXCIEJWMYAU-UHFFFAOYSA-N 374.356 3.574 0 40 FHAB Cc1ccc(-c2cc(C(F)(F)F)nc(N3CCN4CCC[C@@H]4C3)n2)s1 36613204 MSBXETBNBKJQAR-GFCCVEGCSA-N 368.428 3.817 0 40 FHAB Cc1ccc(-c2cc(C(=O)Nc3cc(C)no3)c3c(C)nn(C)c3n2)cc1 36614309 KSJLSKBFVPNKME-UHFFFAOYSA-N 361.405 3.801 0 40 FHAB O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)N1CCCC1 917902 FVNDDBRAJDQVBM-UHFFFAOYSA-N 371.384 3.860 0 40 FHAB COc1cc(C)c(NC(=O)NCCO[C@H]2CCCC[C@H]2C)cc1OC 45974828 XXTLETFSGYKPIW-CJNGLKHVSA-N 350.459 3.729 0 40 FHAB Cn1c2ccc(F)cc2c2nnc(SCC(=O)c3ccc(F)cc3)nc21 4856506 HQDJTDIPMCKFTB-UHFFFAOYSA-N 370.384 3.770 0 40 FHAB CC(C)c1ccc(OC[C@H](O)Cn2c([C@@H](C)O)nc3ccccc32)cc1 4942772 OUDRASISVZROQK-NVXWUHKLSA-N 354.450 3.653 0 40 FHAB Cc1cccn2cc(CSc3nnnn3-c3cccc(Cl)c3)nc12 6998750 JJYFSDODVZTBMF-UHFFFAOYSA-N 356.842 3.564 0 40 FHAB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C)CC1 21003393 HHVYYYUHYHHLQK-QGZVFWFLSA-N 350.890 3.743 0 40 FHAB O=C(CCCOc1ccc(Cl)cc1)NCCCN1CCCCCC1 10111319 ZGMJDXIUCWIECL-UHFFFAOYSA-N 352.906 3.881 0 40 FHAB Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(Cl)cc3)CC2=O)cc1C 8265891 RYQJQQJNPOSGBO-INIZCTEOSA-N 356.853 3.626 0 40 FHAB CCc1nnc2sc(-c3cccc(NC(=O)c4ccccc4C)c3)nn12 57316925 JCBFIJXNLKLQHL-UHFFFAOYSA-N 363.446 3.976 0 40 FHAB CN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc(Cl)c3)ccc21 10971959 BUCPHKWVPBKKFX-UHFFFAOYSA-N 358.825 3.974 0 40 FHAB O=C(Nc1cccnc1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 32816504 IIJOKQVUWNZFAC-HNNXBMFYSA-N 364.232 3.632 0 40 FHAB COCCn1c(SCCOc2ccc(C)cc2)nc2ccccc2c1=O 2618993 UKTBWBXYRMOSMQ-UHFFFAOYSA-N 370.474 3.522 0 40 FHAB COc1cc(C(=S)NCc2ccccc2Cl)cc(OC)c1OC 9188182 JTGSEIHQTHHHSC-UHFFFAOYSA-N 351.855 3.831 0 40 FHAB Cc1cccc(-n2c(C)nnc2SCCOc2cccc(C#N)c2)c1 53259713 KBEOMGYLPWJYML-UHFFFAOYSA-N 350.447 3.927 0 40 FHAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NCc1cc(-c2ccccc2)on1 104199233 WHCDGSOUDBUVPT-KILAXVPQSA-N 366.461 3.679 0 40 FHAB O=C(CSCc1ccc(F)cc1)NCc1ccc(CN2CCCC2)cc1 24114476 ISMKSGDDHRAKPV-UHFFFAOYSA-N 372.509 3.971 0 40 FHAB COc1cc(C(=O)NCc2cccc(NC(=O)N3CCCC3)c2)ccc1C 54348363 IEVHMRMPHMHARG-UHFFFAOYSA-N 367.449 3.561 0 40 FHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1CCN(Cc2ccccc2)CC1 20460808 IMYPSTGBWYYROY-JOCHJYFZSA-N 366.505 3.805 0 40 FHAB COc1ccccc1[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)N1CCCCC1 107135007 RMXACZLFLZOSLX-XEYPJELSSA-N 356.510 3.775 0 40 FHAB Cc1cc(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)sc1C 25630077 GYLMLKCMZAGFAO-UHFFFAOYSA-N 356.491 3.534 0 40 FHAB CCOC(=O)c1ccc(NC(=O)CSCc2ccc(OC)cc2)cc1 59503556 WQRJEBYNAOWXAP-UHFFFAOYSA-N 359.447 3.744 0 40 FHAB O=C(NC1(c2ccccc2)CCC1)c1nc(N2CCCC2)ncc1Cl 44381618 IENTYFYQIGCVPA-UHFFFAOYSA-N 356.857 3.539 0 40 FHAB Cc1cc(C)cc(OCC(=O)OCc2ccc(C(=O)N3CCCC3)cc2)c1 24115996 GQUXSSLDWHPRRG-UHFFFAOYSA-N 367.445 3.662 0 40 FHAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)NC(c1ccccc1)c1ccccc1 57919547 GOSQFACWEPPIDR-MRXNPFEDSA-N 362.477 3.743 0 40 FHAB CCSc1ncc(Br)c(C(=O)Nc2ccc(C)cc2)n1 27743243 BRDCHCPNZDVRHF-UHFFFAOYSA-N 352.257 3.912 0 40 FHAB CCOC(=O)Cc1csc(NC(=O)/C=C/c2cc3ccccc3o2)n1 10421380 ISSKKFSAMFBGDH-BQYQJAHWSA-N 356.403 3.647 0 40 FHAB O=C(NCc1nncn1-c1ccccc1)c1ccc(-c2ccc(F)cc2)o1 47908978 SNCKWRBQZLLHHX-UHFFFAOYSA-N 362.364 3.596 0 40 FHAB Cc1nc(-c2ccccc2)sc1C(=O)O[C@@H](C(N)=O)c1ccccc1 10841348 NNXNXPHQHZXOPW-OAHLLOKOSA-N 352.415 3.502 0 40 FHAB C[C@@H]1CCCCN1C(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 12601791 WONLJMFMYNSLQU-QMTHXVAHSA-N 372.412 3.909 0 40 FHAB CSc1ncccc1C(=O)OCCOc1ccc(Br)cc1 3342168 SOKWFACNNNXLGD-UHFFFAOYSA-N 368.252 3.802 0 40 FHAB CC[C@H](NC(=O)Cc1cc(OC)c(OC)c(OC)c1)c1ccc(C)cc1 12787246 PJHZUUMKQXPELQ-KRWDZBQOSA-N 357.450 3.831 0 40 FHAB CC(C)n1ncc2cc(C(=O)N[C@H]3CCCC[C@@H]3C(F)(F)F)cnc21 12799483 ICFGKGSVSMVARP-KBPBESRZSA-N 354.376 3.863 0 40 FHAB COc1ccc(OC)c(CCC(=O)NCCCn2ccc3ccccc32)c1 12814287 MGCNLLZPUXMLLZ-UHFFFAOYSA-N 366.461 3.798 0 40 FHAB O=C1NC(=O)/C(=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)N1 28294833 HMPYRHQGMVPSHQ-WDZFZDKYSA-N 356.687 3.799 0 40 FHAB Cc1[nH]c(SCC(=O)NCc2ccc(F)cc2)nc1Cc1ccccc1 5312357 DVKKSUUAXCCBRP-UHFFFAOYSA-N 369.465 3.857 0 40 FHAB O=C(Cc1c(F)cccc1Cl)NCc1cccc(NC(=O)C2CC2)c1 14199501 NSPZIRCHEBHMQH-UHFFFAOYSA-N 360.816 3.687 0 40 FHAB Cc1ccc(-c2nc(CCNC(=O)COc3ccccc3)cs2)cc1 4570775 FGVWGEMQHDDYMO-UHFFFAOYSA-N 352.459 3.856 0 40 FHAB COc1ccccc1N1CCN(C(=O)CCSc2ccc(C)cc2)CC1 4676922 XZJICYQNVGGUKM-UHFFFAOYSA-N 370.518 3.835 0 40 FHAB O=C(Nc1nc(CN2CCCCC2)cs1)c1ccc(-n2cccn2)cc1 6608523 LYWNYKDKUBGGBF-UHFFFAOYSA-N 367.478 3.567 0 40 FHAB Cc1cccc(N2CCN(C(=O)COc3ccc4c(c3)CCC4)C[C@H]2C)c1 5638165 NXYFKBSSNBTRCS-GOSISDBHSA-N 364.489 3.600 0 40 FHAB O=C(/C=C/c1ccc(F)cc1)NC(=S)N1CCCC[C@@H]1c1cccnc1 6740819 BLZOAXFSPIOOQR-VEGGFIAOSA-N 369.465 3.862 0 40 FHAB CCOc1ccc(CN(C)C(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 18074323 SIZLYNPYKVCSSG-SFHVURJKSA-N 370.474 3.547 0 40 FHAB COc1ccc(CSc2nnc(Nc3ccc(C)cc3)c(=O)n2C)cc1 28538930 YZDRAZUTGTTXFI-UHFFFAOYSA-N 368.462 3.528 0 40 FHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3occc3C)n2)cc1 8734230 WYRBQQBZXXANEQ-UHFFFAOYSA-N 355.419 3.600 0 40 FHAB O=C1C[C@H](C(=O)N[C@@H]2CCCc3ccc(F)cc32)c2ccc(F)cc2N1 93063247 KHTLLYHTBRHANX-DLBZAZTESA-N 356.372 3.584 0 40 FHAB CCN(CC(=O)NC(C)(C)C)Cc1ccc(C(=O)Nc2ccccc2)cc1 9644896 FJOBWKRWHJHKRL-UHFFFAOYSA-N 367.493 3.676 0 40 FHAB COc1cc(OC)cc(-c2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)c1 9281234 BKZCGAVGWSZXNN-UHFFFAOYSA-N 363.373 3.571 0 40 FHAB COc1nc(C(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)cc2ccccc12 95448287 GKYSZIRLMPGWPI-QGZVFWFLSA-N 350.422 3.561 0 40 FHAB CSCc1cc(C(=O)OCC(=O)N[C@@H](C)c2cccs2)ccc1F 75093290 MUDJYMDJPDGADO-NSHDSACASA-N 367.467 3.784 0 40 FHAB COc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2ccsc2)cc1OC 79268676 ZAFWLAIHQRRLHX-AWEZNQCLSA-N 367.492 3.600 0 40 FHAB O=C(Nc1ccn(Cc2ccncc2)n1)N1CCSC2(CCCCC2)C1 79805562 NWJNFYNIFPVUIN-UHFFFAOYSA-N 371.510 3.610 0 40 FHAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 24023696 SWSBOFKIAATFDQ-OAHLLOKOSA-N 370.424 3.858 0 40 FHAB CC(C)COc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 408709924 ZLULDIUFWZCHSR-UHFFFAOYSA-N 360.841 3.630 0 40 FHAB O=C1Cc2cc(CCCc3nc(-c4ccc5cc[nH]c5c4)no3)ccc2N1 545638269 VPJXXRYWHRCQII-UHFFFAOYSA-N 358.401 3.888 0 40 FHAB CCCNC(=O)c1cc(S(=O)(=O)NC2CCCCCCC2)ccc1C 408602125 HWDXCMZTLRGRKM-UHFFFAOYSA-N 366.527 3.526 0 40 FHAB COc1cccc(NC(=O)c2cc(=O)c(OCc3ccccc3F)co2)c1 36358607 YKHZYUMUPGCVLZ-UHFFFAOYSA-N 369.348 3.619 0 40 FHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@@H]2c1ccc(F)cc1Cl 71281083 BIOJKUWFPFQGLL-GFCCVEGCSA-N 365.792 3.671 0 40 FHAB O=C(O)[C@@H]1CS[C@@H](c2ccc(F)cc2)N1C(=O)c1ccc(Cl)cc1 35110291 WOHVAZXZWUTCHL-HOCLYGCPSA-N 365.813 3.820 0 40 FHAB Cc1cccc(CCNC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)n1 560541120 QOKMYMBNWRBZEM-IBGZPJMESA-N 363.465 3.746 0 40 FHAB CCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3OC)cc2s1 32961173 QELCRYMMPWLRLF-UHFFFAOYSA-N 355.419 3.906 0 40 FHAB COCc1cccc(NC(=O)C2CCN(Cc3ccccc3C)CC2)c1 224527701 NKDHKKRDBZGXNZ-UHFFFAOYSA-N 352.478 3.992 0 40 FHAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1 225072125 JXRMPZVUAOAJOA-HXUWFJFHSA-N 352.478 3.563 0 40 FHAB C[C@@H](Oc1cccc2ccccc12)C(=O)NC[C@@H]1COc2ccccc2O1 225261727 FDVROUHYXXWSMQ-NVXWUHKLSA-N 363.413 3.563 0 40 FHAB S=C1N[C@H](c2ccccn2)[C@H](c2cccs2)N1Cc1ccccn1 223521425 XMDBOCQBGPYPHK-SJORKVTESA-N 352.488 3.711 0 40 FHAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCOc1ccc(C)c(C)c1 224614462 CLZFLSQYEQHEPZ-GOSISDBHSA-N 357.450 3.665 0 40 FHAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(Br)cs1 222769735 SCFUPUIWWYCFLK-CHWSQXEVSA-N 368.325 3.898 0 40 FHAB Cc1ccc(NC(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)cc1F 224146166 LQNLAKBIQPXJQY-UHFFFAOYSA-N 372.448 3.624 0 40 FHAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCc1ccccc1 222906667 YBSNGIZXOFZTHK-MRXNPFEDSA-N 356.441 3.659 0 40 FHAB COc1ccc(C(=O)NCc2cccc(CN3CCCCC3)c2)cc1OC 224643533 GPVGUJWIPQVZER-UHFFFAOYSA-N 368.477 3.620 0 40 FHAB COc1ccccc1NC(=O)COc1cc(C)nc2c(OC)cccc12 227149070 TWEFIIGZNXTGDM-UHFFFAOYSA-N 352.390 3.578 0 40 FHAB COc1ccc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)c(C)c1C 225000857 GUPZRDKFEZACQG-UHFFFAOYSA-N 373.396 3.809 0 40 FHAB CC(C)Nc1nc(-c2cccc(F)c2)nc2c1CN(C(=O)C1CCC1)CC2 96254329 PHDZTYHIFNDZMO-UHFFFAOYSA-N 368.456 3.788 0 40 FHAB COC(=O)C[C@@H](c1ccc(-c2ccccc2)o1)c1oc(C)cc(=O)c1O 96114568 QODFJZRJVYIKAA-AWEZNQCLSA-N 354.358 3.609 0 40 FHAB biogenic NC(=O)c1sc2ncccc2c1C1CCN(Cc2ccccc2)CC1 257264722 LVUDKBNKANKQSC-UHFFFAOYSA-N 351.475 3.775 0 40 FHAB O=C(NCC(O)(c1cccs1)c1cccs1)c1cc2ccccc2[nH]1 618254925 HSQZWRCAPOLETE-UHFFFAOYSA-N 368.483 3.957 0 40 FHAB Cc1n[nH]cc1C1CCN(C(=O)[C@H]2CCOc3ccc(Cl)cc32)CC1 606442546 YIIZTCOFAUCDBC-HNNXBMFYSA-N 359.857 3.644 0 40 FHAB O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)N[C@@H]1CCCn2ccnc21 655712138 QJUSBUWPDLIEEM-WOJBJXKFSA-N 360.461 3.558 0 40 FHAB Cc1nc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3N3CCCC3=O)cc2s1 665191033 OGMXAUWAPHTYEK-ZBFHGGJFSA-N 357.479 3.724 0 40 FHAB CCc1ccc([C@H]2CCCN2S(=O)(=O)c2cnc3ccsc3c2)o1 674487464 KFCDCBQDRGESDQ-OAHLLOKOSA-N 362.476 3.978 0 40 FHAB Cn1cc([C@@H]2CCCCN2Cc2ccc(OCCN3CCCC3)cc2)cn1 685471232 RLDNQCBDLGPJFB-QFIPXVFZSA-N 368.525 3.622 0 40 FHAB O=C(COc1ccc(F)cc1)Nc1ccccc1Cc1nc(C2CC2)no1 96119591 BQEHNFVHYBUAMF-UHFFFAOYSA-N 367.380 3.694 0 40 FHAB CCn1ncc(NC(=O)NCc2ccc3occc3c2)c1C(F)(F)F 585101435 OHIONQPHIRXTRO-UHFFFAOYSA-N 352.316 3.990 0 40 FHAB O=C(NCCc1ccccc1C(F)(F)F)c1cc2ccccc2oc1=O 53233974 YJDGAPKAKSXIOF-UHFFFAOYSA-N 361.319 3.784 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cc(C)sc1C 5356250 FDFVZAOFAWMKIH-UHFFFAOYSA-N 363.435 3.526 0 40 FHAB COc1ccccc1OCC(=O)Nc1cc(-c2ccc(F)c(F)c2)no1 5451966 QWQGUXITQOKWQV-UHFFFAOYSA-N 360.316 3.646 0 40 FHAB COc1ccc(-c2cc(CNC(=O)c3ccc(F)c(F)c3)no2)cc1OC 12638653 YTVOUXNHBWXCQP-UHFFFAOYSA-N 374.343 3.567 0 40 FHAB Cc1c(C)n(-c2ccc(Br)cn2)c2ncn(CC(C)C)c(=N)c12 13693012 YBUCKVHXTVOXJS-UHFFFAOYSA-N 374.286 3.737 0 40 FHAB CC(C)Oc1ccc(C(=O)NCC(=O)N(C)Cc2ccccc2Cl)cc1 17918333 ZCANJNIOGHKENT-UHFFFAOYSA-N 374.868 3.516 0 40 FHAB CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O 6440524 GXNQJUDKLFCPEX-MHWRWJLKSA-N 370.386 3.840 0 40 FHAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 13468162 PIOMBFGYBHQXIW-IAGOWNOFSA-N 361.401 3.631 0 40 FHAB Cn1cc(-c2ccc(CCNC(=O)CCSc3ccccc3)s2)cn1 1889214424 XZBFZGHQZCFAOW-UHFFFAOYSA-N 371.531 3.990 0 40 FHAB COc1cccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)c1OC 1848354627 ZSRYDKKTLVXNSM-MIQYICBFSA-N 373.493 3.722 0 40 FHAB CC(C)(C)c1ccc(N2CCN(c3ccc(C(F)(F)F)nc3)CC2)nn1 1776009852 UPXYHDRNGXOJJG-UHFFFAOYSA-N 365.403 3.515 0 40 FHAB Cc1nn(CCNC(=O)Cc2ccc(F)cc2F)c(C)c1-c1ccccc1 238828286 FGZSVHSPAGDDAS-UHFFFAOYSA-N 369.415 3.804 0 40 FHAB CCSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(OC)cc1 2720789 XPEVKKCXRFDKRW-UHFFFAOYSA-N 351.431 3.988 0 40 FHAB O=C(c1c(F)cccc1F)N1CCN=C1SCc1ccc(F)cc1 4119950 QMAYISRDEYEIOO-UHFFFAOYSA-N 350.365 3.849 0 40 FHAB O=C(CSc1ccc(-c2ccc3c(c2)OCO3)nn1)c1cccs1 4356669 CUJPPDQMAKATPL-UHFFFAOYSA-N 356.428 3.909 0 40 FHAB Cc1ccc(NC(=O)[C@H]2[C@@H](c3ccccc3)n3ncnc3N[C@@H]2C)c(C)c1 11694769 JMRCVXZLNOMVQX-ATZDWAIDSA-N 361.449 3.553 0 40 FHAB O=C(Nc1cccc2cccnc12)c1ccnc(O[C@H]2CCSC2)c1 225722573 NWOLJQSXPGHEGJ-HNNXBMFYSA-N 351.431 3.766 0 40 FHAB O=C(Nc1c(F)cccc1F)N1CC(Oc2cccc(C(F)(F)F)n2)C1 575607458 LZBLTAGPVQJOJH-UHFFFAOYSA-N 373.281 3.674 0 40 FHAB O=C(COc1ccc(Cl)cc1)NC[C@@H](O)c1csc2ccccc12 225693311 JJGHTLMUXSNSBO-MRXNPFEDSA-N 361.850 3.783 0 40 FHAB COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(OC)cc1OC 4176810 BIYOZOCJMAQZNR-UHFFFAOYSA-N 371.414 3.957 0 40 FHAB O=S1(=O)N=C(SCc2ccc(Cl)cc2)Nc2ccc(F)cc21 9762024 RTXZRUDJCMDZFJ-UHFFFAOYSA-N 356.831 3.883 0 40 FHAB Cc1ccccc1OCCN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O 12700181 CGIFPPNRFOYFEZ-QFIPXVFZSA-N 364.445 3.548 0 40 FHAB O=C(CCn1ccc2ccc(Cl)cc21)N[C@@H](C(=O)O)c1ccccc1 40288147 XLXTYALZUAXZCB-GOSISDBHSA-N 356.809 3.627 0 40 FHAB CSc1ccccc1NC(=O)CN(C)C(=O)C[C@H](C)c1ccccc1 31546107 CJRSMMBMYAJNCC-HNNXBMFYSA-N 356.491 3.999 0 40 FHAB CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@@H](c3ccccc3)N2C1=O 2463492 MHUNLHPJSWTLBC-DOTOQJQBSA-N 372.490 3.925 0 40 FHAB COc1ccc(OS(=O)(=O)c2ccc(-c3csc(C)n3)s2)cc1 11566426 POVKOXUFYPYWBF-UHFFFAOYSA-N 367.473 3.956 0 40 FHAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)NCc1cccs1 1332903 OKDXIDGHUWFWMX-UHFFFAOYSA-N 370.459 3.688 0 40 FHAB O=C(NCc1ccc(-c2nc3cnccc3o2)cc1)c1cccnc1Cl 32073781 DFQMWRKORKFJHZ-UHFFFAOYSA-N 364.792 3.868 0 40 FHAB Cc1cc(C(F)(F)F)nc(SCCCC(=O)Nc2nccs2)n1 7156920 PBUAGOFEHNAKBN-UHFFFAOYSA-N 362.402 3.771 0 40 FHAB COc1ccc(NC(=O)c2cc3c(cc2OC)OCCCO3)cc1Cl 46077950 FGOGKKJQQGANFZ-UHFFFAOYSA-N 363.797 3.771 0 40 FHAB CC(=O)Nc1cccc(Nc2nnc(SC[C@@H]3CCCO3)s2)c1 32778994 KDBOMVQPYCPGFR-ZDUSSCGKSA-N 350.469 3.511 0 40 FHAB CCN(CC)c1ccc(-n2nc3cc(C)c(N)c(Br)c3n2)cc1 8702108 JZZZZCOBGMIGTJ-UHFFFAOYSA-N 374.286 3.920 0 40 FHAB Cc1c(C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3)oc2c(F)cccc12 46224846 HPIPFFQVFWEFIQ-LLVKDONJSA-N 352.365 3.866 0 40 FHAB COc1ccccc1C(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1 100423429 FDLCAYMOZUDADK-RTBURBONSA-N 350.462 3.621 0 40 FHAB O=C(Cn1ccnc1)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 10809524 DAWFROJNYLUPHX-UHFFFAOYSA-N 365.458 3.693 0 40 FHAB O=C([C@H]1Cc2ccccc2S1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 32882920 WJSVSQNNHJUZLY-DNVCBOLYSA-N 363.486 3.986 0 40 FHAB CCN([C@@H](C)c1cccc(OC)c1)S(=O)(=O)c1ccc(F)cc1C 32927438 XZCPBZPFQOFPDH-AWEZNQCLSA-N 351.443 3.915 0 40 FHAB CCOc1cc2c(cc1CNC(=O)c1cc(-c3ccco3)on1)O[C@H](C)C2 37133423 DZIPNVPVHXQLSP-GFCCVEGCSA-N 368.389 3.587 0 40 FHAB COC(=O)N(C)c1ccc(NC(=O)/C=C/c2cccc(OC)c2OC)cc1 56448536 JVYTZVCSLZKKKJ-MDWZMJQESA-N 370.405 3.558 0 40 FHAB CCC(=O)Nc1nnc(SCc2ccc(Br)cc2)s1 624743 HUTOZYJJRUASRB-UHFFFAOYSA-N 358.286 3.941 0 40 FHAB C[C@H](NC(=O)CCCNC(=O)c1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 103360776 HUZDMXGSUNCYNT-DNUAJFIVSA-N 362.901 3.791 0 40 FHAB O=C(Nc1cccc(F)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 22705348 ODOWJVMNOYISSR-UHFFFAOYSA-N 370.405 3.879 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCN(Cc2ccsc2)CC1 22916252 NRSJWIRQZZRPED-QGZVFWFLSA-N 357.523 3.510 0 40 FHAB O=C(NCc1ccc(Cl)cc1)c1nc(-c2ccc3cc[nH]c3c2)no1 12322080 OHMLWEYMXFQTPA-UHFFFAOYSA-N 352.781 3.801 0 40 FHAB Cc1ccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)c(Br)c1 949693 JRVMMLRLJDSVAI-HNNXBMFYSA-N 374.238 3.519 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)N2CCc3cc4cc(C)ccc4nc32)c1 15841879 FMZWUWMVQUAQNH-UHFFFAOYSA-N 352.459 3.911 0 40 FHAB CNc1snc(C)c1C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 58192908 BKJIUJVVDGRADJ-UHFFFAOYSA-N 354.479 3.994 0 40 FHAB CCC(=O)NC[C@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 23599877 WEQGGUFGAVVRJA-QGZVFWFLSA-N 352.434 3.843 0 40 FHAB COc1cccc([C@@H](CNC(=O)N(C)[C@@H](C)c2ccc(F)cc2)N(C)C)c1 54920955 DTFYVCJYJONCRC-MGPUTAFESA-N 373.472 3.840 0 40 FHAB CN(Cc1noc(C(C)(C)C)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 106569922 YNUMQJMBARDYML-HIFRSBDPSA-N 370.280 3.764 0 40 FHAB Cc1ccccc1-n1nnnc1C1(N2CCCC2)C2CC3CC(C2)CC1C3 35170750 VOSIELWVKMVXJI-UHFFFAOYSA-N 363.509 3.718 0 40 FHAB CCOC(=O)c1ccc(OCC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 21316309 AIXYTLYKVNPUCY-UHFFFAOYSA-N 369.417 3.720 0 40 FHAB C[C@H]1CCN(C(=O)CCn2c(=O)oc3ccccc32)c2ccccc2S1 17525710 CDKRCZNRVSHJHE-AWEZNQCLSA-N 368.458 3.902 0 40 FHAB C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[C@H](C)c3ccc(F)cc3)CC2)C1 57474091 CHXAZUAUZKZPQG-IRXDYDNUSA-N 374.500 3.816 0 40 FHAB CC(=O)Nc1ccc(OC[C@@H](O)COc2cccc3ccccc23)cc1 27211896 GEAIGMJIFDSDCU-GOSISDBHSA-N 351.402 3.617 0 40 FHAB O=C(CNc1cccc(OC(F)(F)F)c1)N1CCc2ccccc2C1 58104555 OATDWKRFFBYOKM-UHFFFAOYSA-N 350.340 3.582 0 40 FHAB CC(C)Cc1ccc([C@@H](C)NC(=O)c2cccc(S(C)(=O)=O)c2)cc1 12786139 QIZPJICKNHRBJF-OAHLLOKOSA-N 359.491 3.780 0 40 FHAB Cc1csc(CNC(=O)c2c[nH]c3ccc(Br)cc23)n1 58369569 FFQFLZRDDZYKIG-UHFFFAOYSA-N 350.241 3.625 0 40 FHAB O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(-c2nnnn2C2CC2)cc1 12777302 SZWTYWHFYYYUKO-NYYWCZLTSA-N 365.824 3.980 0 40 FHAB CC(C)[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 58419459 GRECIFYPVYKRFI-IAQYHMDHSA-N 361.269 3.734 0 40 FHAB Cc1cc2occ(CC(=O)N(CCC(N)=O)c3ccccc3)c2cc1C 12772381 LJBIPFZYOWLGMB-UHFFFAOYSA-N 350.418 3.501 0 40 FHAB Cc1ncc(-c2ccc(NC(=O)Cn3ccc(=O)c4ccccc43)cc2)o1 58419120 HOMCNPNRVNSPNK-UHFFFAOYSA-N 359.385 3.604 0 40 FHAB CC(C)n1nc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)c2ccccc2c1=O 58408398 JQZLVLQPINSWGJ-AWEZNQCLSA-N 367.424 3.950 0 40 FHAB O=C(CCC(=O)c1ccccc1)NC[C@@H](c1cccs1)N1CCCC1 48312973 JUZRIUNQYHAMTK-KRWDZBQOSA-N 356.491 3.664 0 40 FHAB O=C(CSc1nnc(Cc2ccccc2)o1)NCCC1=CCCCC1 3491293 RTHXQGDSXHCXSL-UHFFFAOYSA-N 357.479 3.759 0 40 FHAB CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)NCc2ccccc2)CC1=O 7608845 PFQOIZRTUDJBQY-SJLPKXTDSA-N 350.462 3.869 0 40 FHAB Cc1c(O)ccc2c(CSc3nncn3-c3ccccc3)cc(=O)oc12 7677434 XLJJZJFBQJFXKE-UHFFFAOYSA-N 365.414 3.680 0 40 FHAB Cc1cc(C)cc(OCCSCc2cc(=O)n3c(C)csc3n2)c1 13019305 CEYMUKUVHZFJRG-UHFFFAOYSA-N 360.504 3.993 0 40 FHAB Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)Nc1ccc2[nH]ccc2c1 49550843 KQLOXHMRAGELOS-UHFFFAOYSA-N 373.412 3.698 0 40 FHAB Cc1ccc2[nH]cc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)c2c1 4169892 QXZQMVPJYBQQIH-UHFFFAOYSA-N 355.459 3.967 0 40 FHAB O=C(NC[C@@H](O)c1ccccc1)c1ccc2noc(-c3ccccc3)c2c1 13629177 KLWUWXNMNAZBGJ-HXUWFJFHSA-N 358.397 3.958 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)/C=C/c1ccccc1Cl 8489361 NAXDEYXRSYKXDP-PLSXKVAHSA-N 355.821 3.874 0 40 FHAB Cc1ccc(Cc2cnc(NC(=O)[C@@H]3Cc4ccccc4O3)s2)cc1 7984249 XOXBTAQSBHVXNE-SFHVURJKSA-N 350.443 3.985 0 40 FHAB CCOc1ccccc1OCc1nn2c(-c3ccc(F)cc3)nnc2s1 4383992 TZRVXWCBJGHHSO-UHFFFAOYSA-N 370.409 3.970 0 40 FHAB C[C@@H]1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc2S1 14166763 YQWSXCWRXJBIEV-CYBMUJFWSA-N 361.488 3.621 0 40 FHAB CC(C)c1ccccc1NC(=O)CN1C(=O)N[C@@](C)(C2CCCCC2)C1=O 14197958 ZMGJBTQEIKKVAR-NRFANRHFSA-N 371.481 3.639 0 40 FHAB O=C(Nc1ccc(Cl)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 14196624 LZECEHIOJDBQGP-UHFFFAOYSA-N 363.889 3.987 0 40 FHAB COc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)c1 4598983 RPOXNOJGEREKAU-INIZCTEOSA-N 352.434 3.810 0 40 FHAB Cc1ccc(-c2noc(CNS(=O)(=O)c3ccc(C(C)C)cc3)n2)cc1 22256915 JGFKUBGPHDRNDG-UHFFFAOYSA-N 371.462 3.647 0 40 FHAB COc1cc(Cl)c(S(=O)(=O)NCc2ccc(C)cc2)cc1Cl 16780190 RSLYLXCMSFZVEU-UHFFFAOYSA-N 360.262 3.789 0 40 FHAB Cc1cc(=O)oc2cc(OS(=O)(=O)c3cccc(Cl)c3)ccc12 6627378 AXPAPVPHJCIKRY-UHFFFAOYSA-N 350.779 3.523 0 40 FHAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1nc2ccccc2c(=O)[nH]1 28210315 CMBIQMULKHNKRA-UHFFFAOYSA-N 357.369 3.968 0 40 FHAB CCOCc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)oc2ccccc12 6847466 PLMNEORSWHLWRD-UHFFFAOYSA-N 373.430 3.625 0 40 FHAB CN(Cc1ccccc1Cl)C(=O)C[C@H]1Sc2ccccc2NC1=O 17918596 XMFWEOJNFATAKU-MRXNPFEDSA-N 360.866 3.802 0 40 FHAB O=C(NCc1cccnc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8707100 LPEXCOGFXFKJLM-OAHLLOKOSA-N 352.463 3.781 0 40 FHAB CCc1ccc(C(=O)CN2C(=O)[C@@H](C)N(c3ccc(Cl)cc3)C2=O)cc1 9721153 RLXODMFOLFKMNP-CYBMUJFWSA-N 370.836 3.942 0 40 FHAB O=C(Oc1ccc(N2CCCC2=O)cc1)c1nc(Cl)ccc1Cl 19210678 DDHFHFSVVNAMEP-UHFFFAOYSA-N 351.189 3.734 0 40 FHAB CCC(=O)Nc1ccc(C2=NN=C(NCc3ccc(F)cc3)SC2)cc1 9336371 GDGQNPYZNPAAAC-UHFFFAOYSA-N 370.453 3.771 0 40 FHAB CC(=O)Nc1ccc(-c2csc(CNC(=O)c3ccccc3)n2)cc1 9316452 SEVRJLHSPGFESB-UHFFFAOYSA-N 351.431 3.699 0 40 FHAB CC[C@H](CNC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccccc1 9478250 JBOGUXMEPXYTCC-GOSISDBHSA-N 350.462 3.666 0 40 FHAB C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)c2ccc(F)cc2Br)C1 95940620 NXNNGXCDBNAKJN-APPDUMDISA-N 372.278 3.895 0 40 FHAB OCc1nc2ccccc2n1Cc1csc(COc2ccccc2)n1 60429361 UZIPVQMRLPRALE-UHFFFAOYSA-N 351.431 3.612 0 40 FHAB O=C(N[C@@H](c1nccs1)C1CC1)N1CCC(Oc2ccccc2)CC1 74708686 FHQFESXOBMFFSX-QGZVFWFLSA-N 357.479 3.847 0 40 FHAB CCOc1ccc2nc(SCC(=O)N(C)Cc3cccs3)[nH]c2c1 9966852 WMXQIMVLRLHJLL-UHFFFAOYSA-N 361.492 3.774 0 40 FHAB CCOc1ccccc1NC(=O)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 22540651 LURRQAFGPPMDFM-MRXNPFEDSA-N 354.450 3.826 0 40 FHAB CC(C)[C@@H](C)CC(=O)N1C[C@@H]2CCCN(C(=O)C[C@@H](C)C(C)C)[C@@H]2C1 75092609 HBZLEBRTGZKYTD-ZSYWTGECSA-N 350.547 3.800 0 40 FHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(Cc2ccccc2)CC1 30864962 ARYULNKPUHNFIY-HXUWFJFHSA-N 372.896 3.842 0 40 FHAB CC[C@@H]1CN(C(=O)c2cn(-c3ccc(F)cc3C)nn2)c2ccccc2O1 503416713 XCQKFHHZVMHTFS-OAHLLOKOSA-N 366.396 3.533 0 40 FHAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3F)C2=O)c1 210807983 CQFRTZNCMGDQAR-MHWRWJLKSA-N 370.405 3.809 0 40 FHAB COc1cc2c(cc1OC)[C@H](NC(=O)c1cc3c(OC)cccc3[nH]1)CC2 524732554 OYVJFSNLGKTTKR-MRXNPFEDSA-N 366.417 3.611 0 40 FHAB Cc1cc(C)n(S(=O)(=O)c2cc(C)c(Br)cc2C(C)C)n1 32602067 LHPQWSLQAOTHDN-UHFFFAOYSA-N 371.300 3.931 0 40 FHAB COc1cc(NC(=S)NCc2ccccc2)c(Cl)cc1C(=O)O 216930157 LRDWCPGDYHTGLI-UHFFFAOYSA-N 350.827 3.533 0 40 FHAB COC(=O)[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(C)O)CC1=O 38331020 JDBGHSWJPLOAHP-KZEBBYEQSA-N 362.510 3.748 0 40 FHAB in-vitro COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccc(C)c2)cc1OC 36620673 JHKNRPQTBXRFNO-QGZVFWFLSA-N 361.463 3.538 0 40 FHAB Cc1nc(Nc2ncccc2C)cc([C@H]2CCCN2C(=O)c2cccnc2)n1 72360250 JNHKEKPZMAEIBO-GOSISDBHSA-N 374.448 3.604 0 40 FHAB CC(C)C[C@@H]1N[C@H](C(=O)NCc2ccco2)Cc2c[nH]c3cccc1c23 49171393 MYZSEIDMPMMUIG-OALUTQOASA-N 351.450 3.679 0 40 FHAB biogenic,in-vitro Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c(C)c1 225057144 MXSFQVXGRKQZDQ-UHFFFAOYSA-N 372.490 3.649 0 40 FHAB COc1cccc(-c2ccc(=O)n([C@@H]3CCc4ccccc4N=C3O)n2)c1 44890186 MMVZYQXWASQJID-LJQANCHMSA-N 361.401 3.694 0 40 FHAB COc1cc(CNC(=S)Nc2ccc3c(c2)OCO3)ccc1OC(C)C 225530844 URGIVPLDMHEWRL-UHFFFAOYSA-N 374.462 3.698 0 40 FHAB CCOc1ccc(C(=O)NCCCc2cccc(OC)c2)cc1OCC 225063708 AYDPBIMAJHXFSX-UHFFFAOYSA-N 357.450 3.855 0 40 FHAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NCC(C)C 224385211 ZKYJZAJUGBPQJM-GFCCVEGCSA-N 359.297 3.893 0 40 FHAB CC[C@@H]1CCCCN1CCCNC(=O)Cc1cccc(Br)c1 225620819 MDCXRPLGNVXIIK-QGZVFWFLSA-N 367.331 3.762 0 40 FHAB CCOc1ccc(S(=O)(=O)N(C)c2ccccc2Br)cc1 224588085 NUQAAEXMGKXELB-UHFFFAOYSA-N 370.268 3.673 0 40 FHAB CCOc1ccc(-c2nc([C@H](N)c3ccc(C)cc3)n[nH]2)cc1OCC 95534200 VCPHTYLMBASRQE-GOSISDBHSA-N 352.438 3.626 0 40 FHAB CN(CC(=O)Nc1cc(F)cc(F)c1)Cc1cnc(C2CCC2)s1 93012728 ZLFLJSPCTIMOFX-UHFFFAOYSA-N 351.422 3.759 0 40 FHAB CCCCN(C)C(=O)[C@@H]1c2c(ncn2C(C)C)CCN1Cc1ccccc1 96037520 JKKGPLUMAPAOTF-NRFANRHFSA-N 368.525 3.822 0 40 FHAB CCOC(=O)c1ccc(NC(=O)N(C)C[C@@H]2CCCN3CCCC[C@H]23)cc1 524730630 QDWHWZNIGMLTCT-PKOBYXMFSA-N 373.497 3.592 0 40 FHAB biogenic Fc1ccc(CN2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)nc1 257338394 YXEZHMLFFUHTEZ-SFTDATJTSA-N 356.441 3.561 0 40 FHAB Cc1ncsc1-c1nccnc1C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 257293548 QQAKRSTWFLQMQR-AWEZNQCLSA-N 358.511 3.736 0 40 FHAB Cn1ncc(C(F)(F)F)c1CNCc1csc(-c2ccccc2)n1 585093568 AFTTUZHINZCECG-UHFFFAOYSA-N 352.385 3.852 0 40 FHAB C[C@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)N(C)c1ccccc1 6120964 RARDCHPOOZNKNO-IYOXOMEYSA-N 360.413 3.843 0 40 FHAB COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3ccccc3SC)C2)c1 5030299 RJALWJGWIUHWSX-QGZVFWFLSA-N 372.446 3.557 0 40 FHAB N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 5757101 UIJNPHCYWKNWRE-IZZDOVSWSA-N 372.724 3.702 0 40 FHAB CCOCc1nnc(NC(=O)Cc2c(C)[nH]c3c(C)c(C)ccc23)s1 12202126 VCQXNVGLVOMIDE-UHFFFAOYSA-N 358.467 3.662 0 40 FHAB Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)[C@@H]3C[C@@H]3C)cc2)n1 13228126 ATSJTEWTVOZJLF-KBXCAEBGSA-N 358.445 3.786 0 40 FHAB COc1cc2cc(CNc3ccc4ncccc4c3)c(=O)[nH]c2cc1OC 13568085 INHQXIMDNGTGRV-UHFFFAOYSA-N 361.401 3.706 0 40 FHAB COc1ccc(CNC(=O)CSCc2ccc(Cl)cc2)cc1OC 15155112 ZVZFZOPOMCHJCD-UHFFFAOYSA-N 365.882 3.907 0 40 FHAB COc1cc(OC)nc(NC(=S)Nc2ccc(Cl)c(Cl)c2)n1 16215071 PVNGUYZZCNIZDV-UHFFFAOYSA-N 359.238 3.610 0 40 FHAB Cc1nn(C)cc1C(=O)N[C@@H](Cc1ccsc1)c1nc(C)c(C)s1 19559833 BHMWHDNHENVINX-HNNXBMFYSA-N 360.508 3.577 0 40 FHAB Cc1ncsc1-c1nnc([C@H]2CCCN2C(=O)c2ccccc2F)o1 19562971 GSVBDYABOCZFMY-CYBMUJFWSA-N 358.398 3.618 0 40 FHAB Cc1ccc2nc(-c3ccccn3)cc(C(=O)N(C)CC3(C)COC3)c2c1 19665127 MPMYCXYNYIPBKR-UHFFFAOYSA-N 361.445 3.714 0 40 FHAB Cc1cc2nc(CCNC(=O)c3ccc4c(c3)ncn4C3CC3)[nH]c2cc1C 19714300 LBGJRYYPIJDIMB-UHFFFAOYSA-N 373.460 3.837 0 40 FHAB Cc1ccc(C)c(N2CCN(C(=O)c3cc(-c4ccco4)on3)CC2)c1 156580215 JRBZHTABNZTLGE-UHFFFAOYSA-N 351.406 3.514 0 40 FHAB COc1cc(/C=C/C(=O)O)cc(Br)c1OCc1cccnc1 226337532 ZKCIMXASRJAKFT-SNAWJCMRSA-N 364.195 3.530 0 40 FHAB CCCCCC(=O)Nc1cc(Br)c2nc(NN)sc2c1 226309148 XSZWHABJKPHSMN-UHFFFAOYSA-N 357.277 3.863 0 40 FHAB C[C@H](CN(C)[C@@H](C(=O)O)c1ccccc1Br)c1nccs1 659787380 HEEJLWGZDZLKBM-ZWNOBZJWSA-N 369.284 3.767 0 40 FHAB CCOC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@H]1c1cccc(F)c1 16494863 LULKBHYVFCZZGZ-KRWDZBQOSA-N 374.437 3.991 0 40 FHAB Cc1c(C(F)(F)F)n[nH]c1C(=O)NCCc1cc2ccccc2s1 1159577559 HKAJHDGYBXVXID-UHFFFAOYSA-N 353.369 3.924 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H]1CCS(=O)(=O)CCCC(F)(F)F 953091196 YDDJEXSYLDKLAH-LBPRGKRZSA-N 373.437 3.533 0 40 FHAB Cc1cccnc1OCC1CCN(C(=O)C2CCC(F)(F)CC2)CC1 1775995577 ABGSTBDWGIBRFP-UHFFFAOYSA-N 352.425 3.833 0 40 FHAB CC1CCC(C(=O)N2CCC3(CC2)CCN(c2ccsc2)C3=O)CC1 1565545081 XOJDGRHQGKHOSB-UHFFFAOYSA-N 360.523 3.920 0 40 FHAB COc1cccc2c1Oc1nc(-c3cc(Cl)ccc3O)[nH]c(=O)c1C2 8568244 JIDDEEWUEHOYLO-UHFFFAOYSA-N 356.765 3.501 0 40 FHAB CCN1C(=O)Cc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc21 10063721 PTHGRGRNZIGHCH-UHFFFAOYSA-N 366.442 3.550 0 40 FHAB COc1cccc2cc(C(=O)NCc3cc(-c4cccs4)nn3C)oc12 1775966733 WRJFRUJJWCBIFA-UHFFFAOYSA-N 367.430 3.833 0 40 FHAB CC[C@@H](C(=O)OCc1cc(=O)n2cc(Cl)ccc2n1)c1ccccc1 26718833 FFJPTRWRZRSOIX-MRXNPFEDSA-N 356.809 3.585 0 40 FHAB CSCc1c(C(=O)NCc2nnc3n2CCCCC3)oc2ccccc12 40012916 JGZPTIYJFSYWJS-UHFFFAOYSA-N 370.478 3.544 0 40 FHAB Cc1ccc2cc(COC(=O)CNC(=O)c3ccccc3)c(Cl)nc2c1 11079948 VGZQYQSJYOSIOD-UHFFFAOYSA-N 368.820 3.670 0 40 FHAB COC(=O)c1c(NC(=O)c2cc3ccccc3c(=O)o2)sc(C)c1C 2486562 ZGTUCXMKWSQPLZ-UHFFFAOYSA-N 357.387 3.510 0 40 FHAB O=C(CCN1C(=O)c2ccccc2C1=O)Oc1cc(Cl)ccc1Cl 945280 UPERWUDTKFLBCY-UHFFFAOYSA-N 364.184 3.585 0 40 FHAB Cc1cc(C)c2c3c(sc2n1)C(=O)N(c1ccc(F)cc1)CC(=O)N3 1036558 UTBUTFFVHSHVSV-UHFFFAOYSA-N 355.394 3.651 0 40 FHAB COC(=O)c1ccc(NC(=O)COc2ccccc2C(F)(F)F)s1 31892705 HGOXIKUBCVHVLP-UHFFFAOYSA-N 359.325 3.571 0 40 FHAB O=c1c2c3c(sc2nc2n1N=CN(c1ccc(Cl)cc1)C2)CCCC3 1651332 RXANQZOMZWVURT-UHFFFAOYSA-N 370.865 3.802 0 40 FHAB Cc1ccc(-n2nnc(C(=O)NCc3cccc(Cl)c3)c2C)cc1C 51318243 YTYQEMVTRICZTC-UHFFFAOYSA-N 354.841 3.776 0 40 FHAB COc1ccc2c(c1)CCc1c(C(=O)Nc3ccc(C(C)=O)cc3)noc1-2 3909501 ZGABLTJNSCTEML-UHFFFAOYSA-N 362.385 3.904 0 40 FHAB O=C(c1ccco1)N1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 4063188 LVUOKRPGTOQAIM-ZRCAFCQKSA-N 369.417 3.517 0 40 FHAB biogenic O=C(NC1CCCCC1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 4385266 KEVHXFSZCNRIJH-LLVKDONJSA-N 355.265 3.795 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 7505066 DJTPXQLRZJOPBG-CQSZACIVSA-N 362.832 3.595 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCCc2ccccc21 7587875 YPGUSYPOACSAQS-UHFFFAOYSA-N 360.461 3.880 0 40 FHAB CC(=O)c1cccc(NC(=O)CSc2nc(-c3ccc(C)cc3)no2)c1 7604656 QZIXGGGNTNIMCJ-UHFFFAOYSA-N 367.430 3.978 0 40 FHAB CC[C@H](Oc1ccccc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 7759836 BOLXXIGNQOPKEK-KRWDZBQOSA-N 351.406 3.553 0 40 FHAB CCCCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 10336344 PEDIUEIVMPLPTG-UHFFFAOYSA-N 360.479 3.716 0 40 FHAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCC[C@@H](C)C1 21555470 FXQXMDHJUGINQT-YUSPZLJHSA-N 360.542 3.602 0 40 FHAB COc1cccc(CC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)c1 32895176 MOLOTWZAEUOQBU-GOSISDBHSA-N 355.434 3.619 0 40 FHAB CN(Cc1ccccc1Cl)C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 32962325 UYYIPTOOSDWFRT-OAHLLOKOSA-N 352.862 3.698 0 40 FHAB Cc1ccc(C2=C[C@H](c3ccc(C)cc3)n3nc(CCCO)nc3N2)cc1 100706946 PZMDSEQWRYIZAF-HXUWFJFHSA-N 360.461 3.876 0 40 FHAB Cc1cc(C)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C)c1 2693023 ABSQVEQMNJSYNO-UHFFFAOYSA-N 372.534 3.740 0 40 FHAB COc1ccccc1CNC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364587 VYSCPECPJWPDEM-GOSISDBHSA-N 374.440 3.531 0 40 FHAB O=C1C[C@H](Nc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1Cl 101277130 OKDBYYXHMCBGKV-ZDUSSCGKSA-N 353.180 3.877 0 40 FHAB COc1cccc(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1 22981352 AUYWBVNRKKTFBV-UHFFFAOYSA-N 363.200 3.595 0 40 FHAB NC(=O)c1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1 23044781 RJCCKQLSJMAZGO-HXUWFJFHSA-N 359.381 3.567 0 40 FHAB Clc1ccc(OCc2ccccc2Cl)c(CNc2nn[nH]n2)c1 22112276 AUJXSFYROHDPSZ-UHFFFAOYSA-N 350.209 3.698 0 40 FHAB C=C1c2ccccc2C(=O)N1CC(=O)N1CCC[C@H]1c1cccc(F)c1 55863766 HIDTYJNGUQPFDX-IBGZPJMESA-N 350.393 3.616 0 40 FHAB C[C@H]1CN(CC(=O)Nc2ccccc2Sc2ccccc2)C[C@@H](C)O1 12537716 GSSMNTZIKBDZRG-IYBDPMFKSA-N 356.491 3.886 0 40 FHAB Cc1cc(C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)c2ccccc2n1 12532059 ZLUMIMWBVKEOOZ-FQEVSTJZSA-N 374.419 3.935 0 40 FHAB O=c1oc2c3c(ccc2c2c1CCC2)OCN(Cc1ccc(F)cc1)C3 55393797 WXJUKIYCRZVGEU-UHFFFAOYSA-N 351.377 3.773 0 40 FHAB COc1cccc([C@H]2CCCN2C(=O)Nc2ccccc2C(=O)N(C)C)c1 44238881 ZMWZSPJMAOJKFQ-LJQANCHMSA-N 367.449 3.766 0 40 FHAB Cc1ccc(/C=c2\sc3nc(-c4cccc5ccccc45)nn3c2=O)cc1 27022788 RGOXPOZCHJRONZ-UYRXBGFRSA-N 369.449 3.827 0 40 FHAB CC(C)(C)NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 20241778 MFSIZTIUJGXUBO-UHFFFAOYSA-N 365.521 3.533 0 40 FHAB COc1cccc([C@@H](CNC(=O)c2cc(C)c(C)s2)N2CCCC2)c1 27340556 CAKSDIOXSCZLJV-GOSISDBHSA-N 358.507 3.940 0 40 FHAB O=C(O)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1 3227283 AJVAVWGZGRCGFT-UHFFFAOYSA-N 352.220 3.554 0 40 FHAB C[C@@H](CCc1ccco1)NC(=O)N1CCN(c2ccccc2Cl)CC1 10081382 WIGOMSZHKRKRSK-HNNXBMFYSA-N 361.873 3.786 0 40 FHAB C/C=C/c1ccc(OCC(=O)Nc2cnn(-c3ccccc3)c2)c(OC)c1 58167822 BNJJWUIUVDXOQN-XVNBXDOJSA-N 363.417 3.932 0 40 FHAB CCCCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 2179237 KXFPWSVWICJPSI-OAQYLSRUSA-N 368.502 3.991 0 40 FHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@@H]1Oc2ccccc2O[C@H]1C 58393713 HTWIQIUBBQPDNO-ZUEVXXBESA-N 355.434 3.946 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)NC[C@@H](c1ccco1)N1CCCCC1 3350780 ILZBAKFTSAYGOT-IBGZPJMESA-N 351.450 3.647 0 40 FHAB Cc1cc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)n1CCC(C)C 3397787 WDGZRPTWYDBPQG-UHFFFAOYSA-N 373.497 3.588 0 40 FHAB Cc1nc(COc2ccccc2/C=C/C(=O)NCc2ccco2)cs1 12772568 UXYUOIBTKLMVBH-CMDGGOBGSA-N 354.431 3.953 0 40 FHAB Cc1ccc(C(=O)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)cc1 12938180 BPZRVFJNGQHNAR-UHFFFAOYSA-N 364.367 3.559 0 40 FHAB COc1cc(OC)cc(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)c1 13000553 JEHBDHWBUUFLOG-LLVKDONJSA-N 351.349 3.796 0 40 FHAB CCN(CC)Cc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1 13006449 ZYWJERGFHGRDDX-UHFFFAOYSA-N 366.914 3.660 0 40 FHAB O=C(CSc1ccccc1C(=O)O)Nc1ccccc1OC(F)F 3887876 DJVDZLVOLLYFER-UHFFFAOYSA-N 353.346 3.717 0 40 FHAB CSc1ccc(/C=C/C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 9118773 JQYQDATZEYZANU-LFYBBSHMSA-N 367.518 3.812 0 40 FHAB Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)cc1 28240676 CQCLZDAMYACAEG-NRFANRHFSA-N 360.461 3.784 0 40 FHAB C[C@H]1CN(c2ccc(NC(=O)c3cc(Cl)c[nH]3)cc2F)C[C@H](C)O1 65477246 STJXKJMGFAOXKC-QWRGUYRKSA-N 351.809 3.673 0 40 FHAB Cn1ccnc1[C@H](NC(=O)c1cc2c(s1)CCCC2)c1ccccc1 8749728 QOHVDLDSVWVBQG-GOSISDBHSA-N 351.475 3.880 0 40 FHAB Fc1ccc([C@@H](NCc2nnnn2-c2ccccc2)c2cccs2)cc1 14199164 CJZOWGBGKNZUEH-LJQANCHMSA-N 365.437 3.742 0 40 FHAB O=C(CCc1ccccc1O)Nc1ccc(-c2cn3cccnc3n2)cc1 65796434 SDSFLHYHNHPYQZ-UHFFFAOYSA-N 358.401 3.673 0 40 FHAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)NCc1cccs1 6549585 HWPLCMVHRISJCV-UHFFFAOYSA-N 370.503 3.615 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)NC1CCN(Cc2ccccc2)CC1 5933288 PBCGIIRIOLOMJH-UHFFFAOYSA-N 361.489 3.881 0 40 FHAB CCn1c(SCC(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1C1CC1 7533955 QJFLXZWAMWUFBW-LBPRGKRZSA-N 370.478 3.891 0 40 FHAB CN(C)C(=O)c1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1 16013472 URDRYYYCQAZPIO-UHFFFAOYSA-N 362.429 3.805 0 40 FHAB CCOc1ccc2oc(C(=O)OCC(=O)N[C@H]3CCCC[C@H]3C)c(C)c2c1 7780669 IONALKXYPXWPGN-DYVFJYSZSA-N 373.449 3.992 0 40 FHAB C[C@H](NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 8181808 NJMQXDOPRPGGNU-NSHDSACASA-N 351.233 3.601 0 40 FHAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 8160882 IRPBJUUSZSRFHC-VQIMIIECSA-N 355.434 3.959 0 40 FHAB CC(=O)Nc1ccc(C2=NN=C(NCc3ccc(F)cc3)SC2)c(F)c1 9336373 JDFAYGLVWSHUOJ-UHFFFAOYSA-N 374.416 3.520 0 40 FHAB COc1cccc([C@H](NC(=O)Nc2ccc(Cl)cc2)c2nccn2C)c1 9318327 DRMWSYZAOPJIAI-KRWDZBQOSA-N 370.840 3.993 0 40 FHAB COc1ccc(C(=O)c2oc3ccc(NC(C)=O)cc3c2C)cc1OC 9419385 VNFRKEKODHYKRP-UHFFFAOYSA-N 353.374 3.948 0 40 FHAB biogenic C[C@H](CNC(=O)c1ccc(NC(=O)N(C)C)cc1Cl)c1ccccc1 89901235 HQWWRBYCTOVJDS-CYBMUJFWSA-N 359.857 3.967 0 40 FHAB CC1CCC2(CC1)CCN(C(=O)NCC[S@@](=O)c1ccccc1F)C2 77853120 DRKZUHRYQMYRPI-QJZASHRNSA-N 366.502 3.545 0 40 FHAB CCN(CC)CC(=O)N1N=C(c2ccsc2)C[C@@H]1c1cccc(F)c1 95115881 LZWIJVREIPKQQE-GOSISDBHSA-N 359.470 3.907 0 40 FHAB O=C(Nc1cnc2ccccc2c1)C(=O)N1CCC[C@H]1c1ccsc1 95954138 WLAPQVVVLPSQGW-KRWDZBQOSA-N 351.431 3.599 0 40 FHAB CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(F)ccc1C 9953224 RTGDBYMYRKPGDR-UHFFFAOYSA-N 367.424 3.813 0 40 FHAB CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1 23641105 SFCQJSWHNGCZBJ-MDWZMJQESA-N 365.429 3.769 0 40 FHAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](C)COc1ccc(OC)cc1 30865063 HGRLEDOEBAQMLZ-APWZRJJASA-N 357.450 3.745 0 40 FHAB CCOc1ccc(-c2ccc(OC(=O)c3ccccc3OC)nn2)cc1 408528629 KFAIZBZDSRAVCR-UHFFFAOYSA-N 350.374 3.770 0 40 FHAB COc1ccc(C(=O)Sc2nnc(-c3ccc(C)cc3)o2)c(OC)c1 408600007 QRPLXMMCWZRSNY-UHFFFAOYSA-N 356.403 3.995 0 40 FHAB C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC2(CCCCC2)C1 521601862 JVFUXYBCBJSJLR-ICSRJNTNSA-N 355.526 3.873 0 40 FHAB Cn1nc2c(c1NC(=O)Nc1ccccc1OC(F)(F)F)CSC2 524734457 GXLIRGMUSSRXSS-UHFFFAOYSA-N 358.345 3.710 0 40 FHAB CCOc1cc(-c2ccccc2)sc1C(=O)Nc1cnn(CCOC)c1 71932548 NFDYJMQYNWOEIC-UHFFFAOYSA-N 371.462 3.909 0 40 FHAB Cc1ccc(-c2nc3cc(N4C[C@@H](C(=O)O)CC4=O)ccc3o2)cc1C 70461271 OOMMXLYELBYYHV-AWEZNQCLSA-N 350.374 3.549 0 40 FHAB COc1ccccc1NC(=O)[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1 35289412 ORYRJPNUTXSBBX-MRXNPFEDSA-N 373.840 3.984 0 40 FHAB COc1ccc2c(c1)OC1(CCN(Cc3ccc(F)cc3)CC1)CC2=O 39226870 OUECODHIEZPULB-UHFFFAOYSA-N 355.409 3.834 0 40 FHAB CCn1c(SCC(=O)Nc2nc3ccccc3s2)nc2cccnc21 35289507 ILQONQJESXCOFM-UHFFFAOYSA-N 369.475 3.792 0 40 FHAB Cc1ccc(C(C)(C)CN[C@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1 565510145 DCNXGXJPAAXRCG-FQEVSTJZSA-N 372.534 3.587 0 40 FHAB CC[C@@H](CNC(=O)CCC(=O)c1ccccc1)N1CCc2ccccc2C1 40081362 LFHAEWKXHJKGOP-NRFANRHFSA-N 364.489 3.603 0 40 FHAB CC(C)c1ccc(OCCOC[C@H](O)CN[C@H](C)c2ccccc2)cc1 40373373 JNKGYBZKGHMWNG-WIYYLYMNSA-N 357.494 3.917 0 40 FHAB COc1ccc(CN[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1OC 40088612 GDMMXDFLJRUWML-LJQANCHMSA-N 371.868 3.970 0 40 FHAB CCCC(CCC)C(=O)N1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21 40386265 GMCQAIFMBKODIM-SFHVURJKSA-N 356.466 3.771 0 40 FHAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccco1 224553490 GUDTXKGKFKZVGH-MSOLQXFVSA-N 351.431 3.860 0 40 FHAB O=C(Cn1ccc2c(Br)cccc21)NCCc1ccccc1 40266514 TXKAMMCXEGAFTG-UHFFFAOYSA-N 357.251 3.763 0 40 FHAB CCOc1ccc(CCCNC(=O)c2ccc(Cn3ccnc3)cc2)cc1 44851492 FPBVMWLMFRRJCI-UHFFFAOYSA-N 363.461 3.693 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c(C)c1 222718263 SWHKPWNGXWHYDK-HZPDHXFCSA-N 355.434 3.719 0 40 FHAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 225535446 OSYRRAOCKIQVAC-INIZCTEOSA-N 372.896 3.824 0 40 FHAB COc1cc(C)c(S(=O)(=O)NCc2cccc3ccccc23)c(C)c1 222897088 JLQZYRIMSKRCGK-UHFFFAOYSA-N 355.459 3.944 0 40 FHAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CC 223406119 VETPJIWXTDWUNH-IBGZPJMESA-N 372.896 3.826 0 40 FHAB Cc1cccc(OCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 224177637 STPILKDOTSUWPO-UHFFFAOYSA-N 374.289 3.800 0 40 FHAB Cc1ccc(NC(=S)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 225455070 ZZRIVDURPNXVIC-MRXNPFEDSA-N 369.490 3.713 0 40 FHAB O=C(CSCc1ccccc1)NCc1nc(-c2ccccc2Cl)no1 95481645 LZMSVDXYHTVGRN-UHFFFAOYSA-N 373.865 3.940 0 40 FHAB C[C@@H]1NCC[C@H]1C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 580711525 GQCDLXXZVSIEGI-IINYFYTJSA-N 369.412 3.689 0 40 FHAB O=C(NCc1cccnc1)c1sc(-n2cccc2)nc1-c1ccccc1 95472852 YDENSXGYGZXDKH-UHFFFAOYSA-N 360.442 3.926 0 40 FHAB COC[C@@H]1CN(Cc2cccs2)CC12CCN(Cc1cccnc1)CC2 247888578 SJFJZXCSPLNLBZ-IBGZPJMESA-N 371.550 3.504 0 40 FHAB COc1ccc(C2(C(=O)N3CC[C@H](OC(F)F)C3)CCCCC2)cc1 585080618 QJFAOIFWAXMKKE-INIZCTEOSA-N 353.409 3.737 0 40 FHAB O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(Br)cc1Cl 250909535 XCXWNYGUCIDXKV-GYBADROVSA-N 370.630 3.564 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)N1CC[C@@H]2[C@@H](CCCCN2CC2CC2)C1 257329949 XMDOXBAHPVSEOD-PGRDOPGGSA-N 365.521 3.823 0 40 FHAB CC[C@H](c1ccccc1)c1n[nH]c(=NC(=O)NCc2ccccc2)s1 592471782 IKTIKCVCGIKEJA-MRXNPFEDSA-N 352.463 3.824 0 40 FHAB C[C@H]1CN(CCn2ccc3cc(Cl)ccc32)CCN1c1ccncc1 1620543293 YJKCHQWFUAPQEP-INIZCTEOSA-N 354.885 3.900 0 40 FHAB CC(C)n1cc(CCNC(=O)c2cc(-c3ccncc3)[nH]n2)c2ccccc21 604418902 NVADQYJLFFSHAV-UHFFFAOYSA-N 373.460 3.980 0 40 FHAB COc1cccc([C@]2(C)CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)C2)c1 1640533032 HWXLAYMHAGOQRE-JOCHJYFZSA-N 361.445 3.889 0 40 FHAB CCCCNC(=O)O[C@H](C(Cl)(Cl)Cl)P(=O)(OC)OC 2144663 RAPOWTHBVWCTOG-ZETCQYMHSA-N 356.570 3.695 0 40 FHAB CC(C)c1cc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)on1 12220470 OAFKYUJCNPRHFC-KRWDZBQOSA-N 364.449 3.850 0 40 FHAB COc1ccc(C(=O)COc2ccc(F)cc2Br)cc1OC 13140953 RLLMNCGASRWIDK-UHFFFAOYSA-N 369.186 3.867 0 40 FHAB COc1ccccc1CNC(=S)Nc1ccc(Br)cc1 13815027 XSASPFRABPSFTI-UHFFFAOYSA-N 351.269 3.944 0 40 FHAB O=C(NCCc1ccc(C(F)(F)F)cc1)C1C[C@@H]2CCC[C@H](C1)C2=O 15316474 OCVINOKWINWYPG-YIONKMFJSA-N 353.384 3.760 0 40 FHAB O=C(C[C@@H]1Nc2ccccc2OC1=O)Nc1cccc(Cl)c1Cl 17072827 RJEQDOAIFCIFOX-LBPRGKRZSA-N 351.189 3.722 0 40 FHAB Fc1cccc(CN2CCC(c3nnc(-c4cccnc4)o3)CC2)c1F 19292718 IMYYTMTXOSSCQV-UHFFFAOYSA-N 356.376 3.789 0 40 FHAB O=C(c1ccncc1)N1CCC[C@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 19341730 XMPWNNRNTSZWAX-ZDUSSCGKSA-N 374.366 3.997 0 40 FHAB CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)CC)C1 19498419 VISFKEHSINOELX-NRFANRHFSA-N 370.518 3.722 0 40 FHAB CCOc1ccccc1CN1Cc2ccccc2OC2(CCN(C)CC2)C1 19520204 XHQXUNYWSOQPRF-UHFFFAOYSA-N 366.505 3.944 0 40 FHAB O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CC(c2ccccc2Cl)=NO1 19662452 FWCSEBQTLFSNPG-SFHVURJKSA-N 366.808 3.657 0 40 FHAB CCCCOC(=O)c1ccc(NC(=O)c2cc(N)ccc2N(C)C)cc1 226324082 HQZNVGHGQQHEIJ-UHFFFAOYSA-N 355.438 3.544 0 40 FHAB COCC(=O)N1CCCCCCCNCc2cc(NCC(C)C)ccc21 643575394 RCCJCOYCWPFCMU-UHFFFAOYSA-N 361.530 3.788 0 40 FHAB O=C(COC(=O)Cc1cccs1)Nc1nc(-c2ccccc2)cs1 3223366 DHHWPWRQSNQAEK-UHFFFAOYSA-N 358.444 3.596 0 40 FHAB CN(C)S(=O)(=O)c1ccc(SCc2ccc(C(C)(C)C)cc2)nc1 7133986 WQGDNQJQPXHLRY-UHFFFAOYSA-N 364.536 3.922 0 40 FHAB CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1ccc2c(c1)CCC2 15364003 IHJSHYCLYWRRJT-UHFFFAOYSA-N 370.518 3.596 0 40 FHAB O=C(CCc1ccccc1F)N1CCn2c(-c3cccs3)cnc2C1 1565556433 HYYKFICIUGFXPH-UHFFFAOYSA-N 355.438 3.726 0 40 FHAB O=C(Nc1ccccc1)c1sc(=S)n2c1[nH]c(=O)c1sccc12 2956410 UQTFZSNUVYEGIE-UHFFFAOYSA-N 359.457 3.886 0 40 FHAB COc1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)cc1OC 4072304 YCCBCFGJBXWUME-UHFFFAOYSA-N 359.382 3.614 0 40 FHAB CC[C@H](C(=O)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1)c1ccccc1 4165457 ZGOJWYREMXTGAU-MOPGFXCFSA-N 373.449 3.663 0 40 FHAB COc1ccccc1N(CN1CCCC1=O)C(=O)c1cc(C)cc(C)c1 4137956 UDFYJQHZRJZFSP-UHFFFAOYSA-N 352.434 3.539 0 40 FHAB CC(C)(C)c1cc(O)c2oc(=O)c(S(=O)(=O)c3ccccc3)cc2c1 4484140 GJVNGFNHYIDXLC-UHFFFAOYSA-N 358.415 3.629 0 40 FHAB Cc1c(Cl)cccc1C(=O)N1Cc2cn(C)nc2[C@@H](COCC2CC2)C1 2055751289 FVWJNCYRJFGYFD-MRXNPFEDSA-N 373.884 3.548 0 40 FHAB CC(=O)N[C@H]1C(=O)N(CCCOc2ccc(C)cc2)c2c(C)cc(C)cc21 100485689 JQNPYCPUWVYJEY-HXUWFJFHSA-N 366.461 3.605 0 40 FHAB Cc1ccccc1OCC(=O)N1CCC[C@H](COCc2ccccc2)C1 49031513 OJAJRBFGDCCTKE-FQEVSTJZSA-N 353.462 3.829 0 40 FHAB O=C(NCc1ccc(Cl)cc1)NC[C@@H](c1ccsc1)n1cccn1 575614512 VHNVOXAARVREIA-INIZCTEOSA-N 360.870 3.687 0 40 FHAB O=C(NCc1cccc2ccccc12)NC[C@H](c1ccco1)n1cccn1 575612936 DPGMQVZMBXQNES-LJQANCHMSA-N 360.417 3.718 0 40 FHAB NC(=O)Cn1c(S[C@@H]2CCCc3ccccc32)nnc1-c1cccs1 40127870 TWQKMDDMMJTSHD-CQSZACIVSA-N 370.503 3.662 0 40 FHAB CC1(C)[C@@]2(C(=O)Nc3ccncc3)CC[C@@]1(C)c1nc3ccccc3nc12 100270653 BBUMZSQRIUFVPK-VXKWHMMOSA-N 358.445 3.993 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)c1ccc(CN2CCCC2=O)cc1 20462230 ZOTIAMRXARTZNL-QGZVFWFLSA-N 350.462 3.560 0 40 FHAB CC(C)SC(C[C@@H](O)[C@@H](O)COC(=O)c1ccccc1)SC(C)C 1593145 ABJDSNOICVLRLJ-CVEARBPZSA-N 372.552 3.565 0 40 FHAB CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(O)cc1)CN1CCCC1 2580996 AIGXWIJHPRPNMP-FQEVSTJZSA-N 368.477 3.668 0 40 FHAB Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(N)c2)c(Cl)c1 3451514 UYFOLUBPRCAPRA-UHFFFAOYSA-N 353.205 3.680 0 40 FHAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccncc1 3501776 SYCIMWSEUHJITE-UHFFFAOYSA-N 367.478 3.708 0 40 FHAB CC/C(=C\c1sc2ccccc2[n+]1CCCS(=O)(=O)O)SC 4737246 BBVUWAOKFAPJAS-VAWYXSNFSA-O 358.530 3.581 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)[C@H]1C[C@@H]1C)c1ccccc1 6639723 MHXLGEQJEDZCLL-QOKNQOGYSA-N 353.418 3.883 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1cc(C)ccc1C 7054125 KZRWDYSETUQLSK-HNNXBMFYSA-N 360.479 3.633 0 40 FHAB CC(C)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1nnc2ccccn12 20720935 YCLAWICGNICGRW-INIZCTEOSA-N 356.857 3.829 0 40 FHAB C[C@@H](OC(=O)Cc1cccs1)C(=O)Nc1ccc(OC(F)(F)F)cc1 8447639 DZKNQYPISGEQSA-SNVBAGLBSA-N 373.352 3.760 0 40 FHAB COC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)c[nH]2)cc1 8769857 SKVBFYVRXJLJRF-UHFFFAOYSA-N 367.430 3.594 0 40 FHAB C[C@H](NC(=O)CCC(=O)N[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2)[C@@H]1C[C@@H]2CC[C@@H]1C2 101708820 BFIMPPVMZHKIOV-OSHATUJSSA-N 360.542 3.648 0 40 FHAB CCCCN(CCCC)C(=O)CSc1nc(C)c(C)c(C)c1C(N)=O 32745431 SPZAFRQJWUGSTB-UHFFFAOYSA-N 365.543 3.627 0 40 FHAB Cc1nn(C)c(C)c1CCC(=O)O[C@@H](C)C(=O)c1c(C)[nH]c2ccccc12 32862207 PWVVZJIHPQYSQA-HNNXBMFYSA-N 367.449 3.574 0 40 FHAB CCCCCOc1ccc(NC(=O)C(=O)NCCCc2ccccc2)cc1 9235620 GPLKBAKDGCPZEU-UHFFFAOYSA-N 368.477 3.943 0 40 FHAB O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCc1cccc(Cl)c1 2647102 TUSFWDDVXHEJLW-UHFFFAOYSA-N 371.651 3.693 0 40 FHAB CCN(Cc1ccccc1)C(=O)[C@@H](C)Sc1nncn1-c1ccccc1 21956225 BGTJDUVCAZCCHH-MRXNPFEDSA-N 366.490 3.797 0 40 FHAB O=C(NC(=S)N1CCc2ccccc21)c1ccccc1Br 675564 NLIZZHPFSIROKI-UHFFFAOYSA-N 361.264 3.527 0 40 FHAB CCOc1c(S(=O)(=O)N2CCC[C@H](C)C2)ccc(Cl)c1Cl 644629 WTZJSVDULNQITN-JTQLQIEISA-N 352.283 3.813 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)c2cn3c(C)cccc3n2)cc1OC 42062924 LGPUFGYLRZQFKG-KRWDZBQOSA-N 365.433 3.637 0 40 FHAB CC[C@@H](C)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 821369 WHJSBLHNPPKVKH-QVKFZJNVSA-N 368.502 3.989 0 40 FHAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CCCn1c(=O)oc2ccccc21 23503931 ZXVLSSCBKYFGSB-CYBMUJFWSA-N 374.387 3.873 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@@H](c1cccs1)N(C)C 23865539 ATNZZMDJACAXLK-KRWDZBQOSA-N 368.506 3.583 0 40 FHAB Cc1nc(NC(=O)CCN2C(=O)c3ccccc3N[C@H]2C(C)C)sc1C 61719270 MIDSCYBJJOSZIN-QGZVFWFLSA-N 372.494 3.639 0 40 FHAB CN(Cc1cccc(Cl)c1Cl)C(=O)[C@@H]1Cc2ccccc2C(=O)O1 24763323 LOOOIVUYXIGKGT-HNNXBMFYSA-N 364.228 3.734 0 40 FHAB COc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cn1 12527919 QENMWVZROPMIRR-UHFFFAOYSA-N 356.385 3.953 0 40 FHAB COC(=O)C1(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)CCCCC1 25175757 IGDCGTMUTJWASS-LBPRGKRZSA-N 355.887 3.813 0 40 FHAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCN2CCCC[C@H]12 69433959 SBGWHPOFIKDNMN-IACUBPJLSA-N 357.281 3.504 0 40 FHAB C[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(F)c(F)c1 25457128 JWOODKWBCOAMFW-ZDUSSCGKSA-N 358.388 3.578 0 40 FHAB CCOC(=O)c1c(NC(=O)CCN2CCC(C)CC2)sc(C)c1C 3268517 MCCHZXAHRLXVED-UHFFFAOYSA-N 352.500 3.602 0 40 FHAB O=C(/C=C/c1ccccc1OC(F)F)NCCCc1nc2ccccc2[nH]1 22491071 VEIRXJBXOYNNTD-VAWYXSNFSA-N 371.387 3.927 0 40 FHAB COc1cc(CNC(=O)N(C)Cc2ccc(Cl)cc2Cl)ccn1 26305755 RJTVJQJLJLNWDV-UHFFFAOYSA-N 354.237 3.739 0 40 FHAB Cc1ccc(N2CC3=C(C2=O)[C@@H](c2ccc(Cl)cc2)NC(=O)N3C)cc1 35326461 URHNPHMIUXNJPC-GOSISDBHSA-N 367.836 3.645 0 40 FHAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(Cl)cc1Cl 3201446 DLTMPHWJUYBJGY-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB C[C@@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@]4(C)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118915098 UUNZVNLAFCAUHR-LHPLTVJHSA-N 350.543 3.892 0 40 FHAB Cc1ccc(CN2C(=O)[C@H](N3CCSC3=O)[C@@H]2c2ccsc2)cc1 58175561 OCGSXTGHEAJJKU-JKSUJKDBSA-N 358.488 3.677 0 40 FHAB CCOC(=O)c1ccc2c(c1)nc(COc1ccc(OC)cc1)n2CC 12620516 OBYLCHJXSDPSBD-UHFFFAOYSA-N 354.406 3.821 0 40 FHAB CS(=O)(=O)c1cc(C(=O)NC2(c3ccccc3)CCC2)ccc1Cl 58435583 UURCNAVODUKCTA-UHFFFAOYSA-N 363.866 3.553 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1ccccc1OC 3387856 WVMKMRBYVJLQMQ-LLVKDONJSA-N 363.797 3.541 0 40 FHAB C[C@H]1c2cccn2CCN1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 12750912 ASWMBYQABRPGKY-GHTZIAJQSA-N 362.473 3.972 0 40 FHAB Cc1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)c(O)c1 12752800 URLAWMJWCOUQJN-UHFFFAOYSA-N 370.493 3.752 0 40 FHAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)c1C 48373905 JUKBGISSIDHLLM-UHFFFAOYSA-N 351.399 3.558 0 40 FHAB CCOc1ccccc1N1C[C@H](C(=O)Oc2cccc(C)c2C)CC1=O 408670544 SODCKWYRVDHGGL-MRXNPFEDSA-N 353.418 3.661 0 40 FHAB C[C@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(C(C)(C)C)cc1 4105494 KDRSIJAIKCHYDE-ZDUSSCGKSA-N 358.463 3.520 0 40 FHAB Cc1cccc(C)c1NC(=O)NCc1c(Cl)cccc1-n1cncn1 4110218 SXBNEIIYRWCEBG-UHFFFAOYSA-N 355.829 3.859 0 40 FHAB COc1ccccc1OCCNC(=O)c1ccc(OC)c2ccccc12 18075476 YOOXCVZVSKMKJA-UHFFFAOYSA-N 351.402 3.666 0 40 FHAB CCc1ccccc1N1C[C@@H](C(=O)Nc2cc(Cl)ccc2OC)CC1=O 4385099 UQQANYAZTJPALV-AWEZNQCLSA-N 372.852 3.903 0 40 FHAB CCCC(=O)N1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(OC)cc1OC 6263780 JIMJQWPAOQTXPM-DZFGPLHGSA-N 361.482 3.699 0 40 FHAB biogenic Cc1nc(SCc2nnc(-c3cccs3)o2)c(C(N)=O)c(C)c1C 8704921 PTGFGTBQXCEBIF-UHFFFAOYSA-N 360.464 3.510 0 40 FHAB CCCCN1C(=O)[C@](O)(CC(=O)c2cc(C)ccc2C)c2ccccc21 4554911 ZRGXTKINCGMCOW-QFIPXVFZSA-N 351.446 3.911 0 40 FHAB Cc1ccc(Sc2ccc(NC(=O)CN3CCC(O)CC3)cc2)cc1C 14247681 IXTQUQDLKFPTDS-UHFFFAOYSA-N 370.518 3.850 0 40 FHAB O=C(COC(=O)Cc1ccccc1F)NCc1ccc(Cl)cc1Cl 6551473 HFPFBJCGIOCPOW-UHFFFAOYSA-N 370.207 3.535 0 40 FHAB Nn1c(SCc2ccccc2)nnc1-c1ccccc1Br 4786965 ZBJJCXMADIIDMO-UHFFFAOYSA-N 361.268 3.714 0 40 FHAB COc1ccc(NC(=O)CN(C)C(=O)C2(c3ccccc3)CCCC2)cc1 6875418 DKCHMKRLQSFONS-UHFFFAOYSA-N 366.461 3.604 0 40 FHAB C[C@H](OC(=O)c1csc2c1CCCC2)C(=O)Nc1ccc(Cl)cn1 5968477 IOWBOGLDCODGAH-JTQLQIEISA-N 364.854 3.859 0 40 FHAB CC(C)CNc1nc(-c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cs1 7273850 QXCHJMRUARXHIN-LBPRGKRZSA-N 365.524 3.589 0 40 FHAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccccc1-c1ccccc1 7268312 KZAJVFNMXMOGQB-UHFFFAOYSA-N 355.397 3.702 0 40 FHAB COc1ccccc1NC(=O)[C@H](C)N(C)Cc1c(F)cccc1Cl 7266636 URMHMSHILRGGRK-LBPRGKRZSA-N 350.821 3.947 0 40 FHAB CN(C)c1ccc(NC(=O)[C@]2(C)CCCCN2C(=O)OC(C)(C)C)cc1 96004527 MSYBBBHVCXYYKQ-FQEVSTJZSA-N 361.486 3.871 0 40 FHAB CCOc1ncccc1C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 9217131 PCMDYWKEYFNJOI-UHFFFAOYSA-N 350.422 3.809 0 40 FHAB C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)N(C)Cc1ccccc1 7472004 NEHOWWRJLDBZOV-AWEZNQCLSA-N 352.463 3.611 0 40 FHAB COc1cccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)C(C)C)c1 9281213 VRARLSKWIPMQGX-UHFFFAOYSA-N 364.445 3.896 0 40 FHAB c1nc(Nc2ccc(N3CCOCC3)cc2)c2c3c(sc2n1)CCC3 8147888 IHTHTEKZMGHWPR-UHFFFAOYSA-N 352.463 3.760 0 40 FHAB Fc1ccccc1[C@H]1C=C(c2ccncc2)Nc2nc(C(F)(F)F)nn21 8192615 PXTQXERPBUMULW-CQSZACIVSA-N 361.302 3.887 0 40 FHAB CCc1nnc(SCC(=O)Nc2cccc(OC)c2)n1-c1ccccc1 9668991 OZOUACMUUCSVLJ-UHFFFAOYSA-N 368.462 3.569 0 40 FHAB O=C1Nc2cc(C(F)(F)F)ccc2S[C@@H]1CC(=O)N1CCCCCC1 9336110 GHGNEGOXUAAPFX-CQSZACIVSA-N 372.412 3.911 0 40 FHAB O=C(O)c1ccccc1C[C@@H]1SC(Nc2ccc(Cl)cc2)=NC1=O 96306116 ORGPSMOJSKJOQD-AWEZNQCLSA-N 360.822 3.691 0 40 FHAB Cc1cccc(-c2nnc(S[C@H](C(=O)N(C)C)c3ccccc3)n2C)c1 9500194 CLKYOBABYKOKIP-KRWDZBQOSA-N 366.490 3.712 0 40 FHAB COc1ccc(-c2c/c(=N\[C@@H](C)C(=O)O)c3cc(C)ccc3o2)cc1OC 19911680 DCGNPHYKMHEHGQ-UAHGDZPKSA-N 367.401 3.799 0 40 FHAB CCN(C)Cc1cccc(CNC(=O)Cc2cc(-c3ccccc3)on2)c1 72289268 UCDPWQSJQDPIRQ-UHFFFAOYSA-N 363.461 3.652 0 40 FHAB CCN1CCC(CCNC(=O)c2cccnc2SC2CCCC2)CC1 72297557 SEDSJSGIULMXKU-UHFFFAOYSA-N 361.555 3.968 0 40 FHAB Nc1nc(N)c2c(-c3ccc(Cl)cc3Cl)c3c(nc2n1)CCCC3=O 20673532 JIXZLUDCGZDCFT-UHFFFAOYSA-N 374.231 3.682 0 40 FHAB O=C(O[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(-n2ccnc2)nc1 97164831 FIYVMGXFKHHOOH-FQEVSTJZSA-N 374.375 3.748 0 40 FHAB C[C@H](CC(=O)N1CCC[C@H](c2n[nH]c(=S)n2C)C1)C1CCCCC1 78622044 VQCUBAWCMVLJFM-HIFRSBDPSA-N 350.532 3.790 0 40 FHAB COc1ccc([C@H]2C[C@H]2C(=O)N2CCC(O)(c3ccccc3C)CC2)cc1 75148636 NBQGJAYUCBMJMV-WOJBJXKFSA-N 365.473 3.617 0 40 FHAB COc1ccc(CCCNC(=O)c2ccc(Cl)cc2F)cc1OC 65090813 IQBKRICWHVBPEO-UHFFFAOYSA-N 351.805 3.859 0 40 FHAB Cc1ccc(C)c(N(CCCC(=O)Nc2ccccc2C)S(C)(=O)=O)c1 408703483 SIWFOMILIZPLBC-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB Cc1cc(O[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc(C)c1Cl 408702507 HPIPTHLCWNAGBP-CYBMUJFWSA-N 358.825 3.709 0 40 FHAB Cc1ccccc1-c1cncc(C2CCN(C(=O)Cc3cccnc3)CC2)n1 72359571 CLQDSUPMQGTASG-UHFFFAOYSA-N 372.472 3.796 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)C2(c3ccccc3)CCOCC2)c1 32712945 LNJOGXBBTWCVOS-MRXNPFEDSA-N 369.461 3.629 0 40 FHAB CCc1ccccc1OCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 39585587 LHFAZTNMDHNVNC-SFHVURJKSA-N 367.445 3.763 0 40 FHAB COc1ccccc1NC(=O)c1ccc2c(=O)n(-c3ccccc3)cnc2c1 32103465 TZWYRMKUQBZBOK-UHFFFAOYSA-N 371.396 3.647 0 40 FHAB Cn1ccnc1Cn1cnc2scc(-c3ccccc3Cl)c2c1=O 32523774 YYRLRCAATFXUAR-UHFFFAOYSA-N 356.838 3.560 0 40 FHAB COc1ccc2sc(C(=O)N(C)C3CCN(C)CC3)c(Cl)c2c1 49752931 DUAAWYFYNUFFTP-UHFFFAOYSA-N 352.887 3.730 0 40 FHAB COc1ccc(CNC(=O)c2csc(NCc3ccccc3)n2)cc1 49550641 KBWXQRIGIXYRRP-UHFFFAOYSA-N 353.447 3.694 0 40 FHAB COc1cc(Cl)cc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)c1 567256755 YUSMXCJBWALTRD-UHFFFAOYSA-N 373.815 3.646 0 40 FHAB CCCCC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 195529028 JOVFXTNURQPEHB-XJKSGUPXSA-N 356.869 3.547 0 40 FHAB COc1ccccc1OC[C@@H](C)NC(=O)COc1ccc2c(c1)CCCC2 225206454 MGXBEABTLLRNQU-MRXNPFEDSA-N 369.461 3.537 0 40 FHAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2ccccc2)cc1OCC 222859709 AIXYSUAFFTUTFW-GOSISDBHSA-N 357.450 3.958 0 40 FHAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2Cl)c1 223837022 GVKNDUKJPIQFAU-UHFFFAOYSA-N 374.245 3.889 0 40 FHAB CN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc(F)cc1 48961853 PFQJXPFYKNTUDK-UHFFFAOYSA-N 362.195 3.552 0 40 FHAB CCCO[C@]1(C(=O)Nc2cnc(OCCOC)c(C)c2)CCC[C@H](C)C1 225911685 WMCKMOWUQBPVJA-MGPUTAFESA-N 364.486 3.729 0 40 FHAB COC(=O)c1cc(N(C)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224717193 QPPKCRFNOYBJII-UHFFFAOYSA-N 374.245 3.605 0 40 FHAB C[C@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc2c(c1)CCC2 223196563 FRDMDKXPDITDSH-INIZCTEOSA-N 350.462 3.503 0 40 FHAB c1coc(CN2CCC3(CC2)C[C@@H](N[C@@H]2CCOC2)c2ccccc2O3)c1 96079854 FNQIRBRMTNLLTF-YLJYHZDGSA-N 368.477 3.517 0 40 FHAB Cc1ccc(N2CCCc3sc(C(=O)NC4CCCCCC4)nc32)nn1 96037475 JQFIOOIJQWGLQR-UHFFFAOYSA-N 371.510 3.778 0 40 FHAB CC(=O)N1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1ccccc1 257256627 KMGNCXPVLBWSAP-FKBYEOEOSA-N 362.473 3.696 0 40 FHAB Cc1cc(-c2ncc[nH]2)nc([C@H]2CCCCN2C(=O)Cc2cccs2)n1 257229453 FYESNLLAKZBPGV-MRXNPFEDSA-N 367.478 3.533 0 40 FHAB CCCc1nnsc1C(=O)Nc1cccc(-c2cnc3n2CCC3)c1 85471572 SCMYSOPSSSYKKF-UHFFFAOYSA-N 353.451 3.553 0 40 FHAB Cc1cc(C)c(NC(=O)CN2CCN(c3cccc(F)c3)CC2)c(C)c1 1175452593 GJHOQPYBMAKJRB-UHFFFAOYSA-N 355.457 3.512 0 40 FHAB COCc1ncc(C(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)c(N)n1 672905417 QVPDXANHTPOUKA-MRXNPFEDSA-N 374.872 3.616 0 40 FHAB COC(=O)c1ccc(C(=O)N(Cc2ccoc2)Cc2cccs2)cc1 90612149 KWJBEWXBNADIOP-UHFFFAOYSA-N 355.415 3.970 0 40 FHAB Cn1cc(NC(=O)NC[C@@H]2CCN(C(C)(C)C)C2)c(C2CCCCC2)n1 585101653 GLNNVSPSVDPEPS-HNNXBMFYSA-N 361.534 3.710 0 40 FHAB O=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1cccc(Cl)c1 70761501 FNIGLKBHRGLAIU-SFHVURJKSA-N 361.850 3.505 0 40 FHAB CCN1CCCC[C@@H]1CNC(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 97001844 RDPZPDFHTOGHTK-QGZVFWFLSA-N 373.476 3.624 0 40 FHAB Cc1onc(C(=O)NC2(c3ccccc3F)CCCC2)c1Cn1cccn1 12197971 OCACXFGFPHNUTE-UHFFFAOYSA-N 368.412 3.566 0 40 FHAB Cc1nn(-c2cccc(C(=O)N(C)CCN3CCCCC3)c2)c(C)c1Cl 12206188 GDZQLQZKJLEDCD-UHFFFAOYSA-N 374.916 3.700 0 40 FHAB CCC(=O)N1CCC[C@@](Cc2ccccc2-c2ccc(C)cc2)(C(N)=O)C1 19498655 LTIRBMDZZLWZKI-QHCPKHFHSA-N 364.489 3.709 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(-n4cccn4)c3)cc2)n1 19660027 VMEOBGASKKVXGA-UHFFFAOYSA-N 357.417 3.927 0 40 FHAB C[C@@H](NC(=O)CC1CCN(CCc2ccccc2)CC1)c1ccccn1 19748823 CNIROYVPGBIZEA-GOSISDBHSA-N 351.494 3.604 0 40 FHAB O=C1NC(c2cccc(Br)c2)=N/C1=C\C=C\c1ccccc1 5584575 VDPOPAQZNBFKEO-MAHQCVNESA-N 353.219 3.923 0 40 FHAB CC(C)c1cc(C(=O)N2CCCC[C@H]3NCC[C@H](c4ccccc4)[C@H]32)n[nH]1 19451853 ODYZNVFIYZLJEZ-DBXWQHBBSA-N 366.509 3.674 0 40 FHAB CCOC(=O)N1CCC(C(=O)n2ccc(C)c/c2=N\C2CCCCC2)CC1 26492271 NMIFOJZHRBOUMO-ZBJSNUHESA-N 373.497 3.539 0 40 FHAB O=C(CCc1ccccc1F)N1CCC[C@](O)(COc2ccccc2)CC1 2037909227 FWGYNPGOFGXYCI-JOCHJYFZSA-N 371.452 3.581 0 40 FHAB Cc1cccc2sc(N(CCN(C)C)C(=O)COc3ccccc3)nc12 4359238 RKBDBRWZXBNSFI-UHFFFAOYSA-N 369.490 3.578 0 40 FHAB COc1ccc(NC(=O)c2c(F)cccc2Cl)cc1N1CCCC1=O 5440893 ANQREWUGCQYXCM-UHFFFAOYSA-N 362.788 3.867 0 40 FHAB Cc1cc(-c2nnc(NC(=O)c3ccc(SC(C)C)cc3)o2)nn1C 12443118 OQFCPVKCOHSIDM-UHFFFAOYSA-N 357.439 3.531 0 40 FHAB COc1ccc(OC)c(CN2CCC[C@H]3NC[C@H](c4ccc(F)cc4)[C@H]32)c1 19551553 HYKYCBKOJUVXNY-KCZVDYSFSA-N 370.468 3.563 0 40 FHAB C[C@@H](OC(=O)c1ccc(NC2CC2)nc1)C(=O)C12CC3CC(CC(C3)C1)C2 40158625 DIQRQIKVMBMWOG-ZHHULCEESA-N 368.477 3.987 0 40 FHAB CN(C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)[C@H]1CCc2ccccc21 40158641 HBOSCECEORKEFN-AWEZNQCLSA-N 351.328 3.545 0 40 FHAB COc1ccccc1-c1ccc(=O)n([C@@H]2CCc3ccccc3N=C2O)n1 40287764 PNJOPUKGZLDCKB-GOSISDBHSA-N 361.401 3.694 0 40 FHAB COc1ccccc1Nc1nc2nccc(-c3ccccc3OC)c2c(=O)[nH]1 30904087 BOJLFTQBXCLOEQ-UHFFFAOYSA-N 374.400 3.746 0 40 FHAB CCOc1ccc(CN(C)C(=O)CCc2nc3ccccc3[nH]2)cc1OC 31197997 JTSZHVIHTSBAJU-UHFFFAOYSA-N 367.449 3.561 0 40 FHAB O[C@@H](CSc1cccc(Cl)c1)CN1CCN(c2ccccc2)CC1 20384913 NSNRUVWGIWQUCM-GOSISDBHSA-N 362.926 3.615 0 40 FHAB Cc1n[nH]c(-c2ccc(NC(=O)c3ccc4nc(C)c(C)nc4c3)cc2)n1 50897142 YYHMZFRYOPNJLH-UHFFFAOYSA-N 358.405 3.592 0 40 FHAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Nc1ccc3ccccc3c1)C(=O)C2 100843994 OELNENRGDZBHDO-OXJNMPFZSA-N 357.475 3.977 0 40 FHAB Nc1cc2c(cc1Br)-c1cc(Br)c(N)cc1C2=O 1699678 MGJVAZFXCJQATR-UHFFFAOYSA-N 368.028 3.587 0 40 FHAB C[C@H]1C[C@H](Sc2ncc(-c3ccccc3)n2CC(F)(F)F)C(=O)O1 51971326 UTWNXJPOOVWQMS-GWCFXTLKSA-N 356.369 3.909 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)NCc1ccnc(N2CCCC2)c1 29319689 VUTIOXSQFONPEG-KRWDZBQOSA-N 352.482 3.502 0 40 FHAB Cc1cccc(C(=O)NC(=S)Nc2c(Cl)ccc3nsnc23)c1 8072025 IFBWUJSNLBVZCV-UHFFFAOYSA-N 362.867 3.780 0 40 FHAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(OC)c(OC)c2)cc1OCC 8294706 NLANDRVPCNMZMI-CQSZACIVSA-N 373.449 3.992 0 40 FHAB Cc1ccc(NC(=O)c2cccc(NC(=O)CCCC(=O)O)c2)cc1C 8434581 XERAJXPGDIAZTD-UHFFFAOYSA-N 354.406 3.749 0 40 FHAB OCCCNc1ncnc2cc(-c3ccc(Br)cc3)sc12 32806204 XPXIQUKZGROHTN-UHFFFAOYSA-N 364.268 3.915 0 40 FHAB Cc1nc(NC(=O)[C@@H](C)OC(=O)c2ccc3ncsc3c2)sc1C 21665927 NZPYLHLZAHDASI-SECBINFHSA-N 361.448 3.554 0 40 FHAB COc1cccc(CN2C(=O)c3ccccc3[C@@]2(O)c2ccc(F)cc2)c1 32935268 DXZSEAMLAIOUJQ-QFIPXVFZSA-N 363.388 3.684 0 40 FHAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 2637844 RRRQDHLDGFKXLS-INIZCTEOSA-N 373.305 3.575 0 40 FHAB O=c1/c(=C/c2ccccc2Cl)sc2nnc(-c3cccc(Cl)c3)n12 9188308 SPVKGJJWUGRZIL-ZROIWOOFSA-N 374.252 3.673 0 40 FHAB Cc1c(C(=O)Nc2ccc(N3CCCC3)nc2)cnn1-c1ccccc1F 29997419 WGWYUNGVRYRURP-UHFFFAOYSA-N 365.412 3.567 0 40 FHAB COc1ccc(C)cc1NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O 7950662 KQOCLFFDZBBPBZ-IBGZPJMESA-N 350.418 3.906 0 40 FHAB CC(=O)Nc1c(C)ccc(NC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c1C 103645303 WVLGYOCABGIJEW-WZGNDQMWSA-N 370.493 3.922 0 40 FHAB COc1ccc(N[C@@H](C(=O)NC2CC2)c2ccccc2)cc1OC(F)F 22766098 VCWVEDGTTJXAKQ-QGZVFWFLSA-N 362.376 3.728 0 40 FHAB CC1=C(C)C[C@H](C(=O)Nc2cccc(Br)c2)[C@@H](C(=O)O)C1 2801793 MKGJJHCGSSYNHZ-KBPBESRZSA-N 352.228 3.835 0 40 FHAB Cc1ccc(C2=NN[C@H](c3c(C)nn(-c4ccccc4)c3O)S2)cc1 103613136 YYQSOEJHPVKTAK-SFHVURJKSA-N 350.447 3.892 0 40 FHAB COc1ccc([C@H]2CCCCCN2C(=O)CCNC(=O)c2ccco2)cc1 24392550 XSDDJZQKONCSGG-GOSISDBHSA-N 370.449 3.552 0 40 FHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)/C=C\c1ccccc1 96578021 DIHQAQSAAZUJJR-FLIBITNWSA-N 367.836 3.638 0 40 FHAB O=C(Nc1cccc(F)c1)c1cnn(-c2ccccn2)c1C(F)(F)F 24574378 LNMQUMKMXRDXDH-UHFFFAOYSA-N 350.275 3.678 0 40 FHAB CCCn1c(SCc2cccc(OC)c2)nc(C(F)(F)F)cc1=O 1383397 GFDKNKIMMSUFJG-UHFFFAOYSA-N 358.385 3.973 0 40 FHAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[C@H](C)c1cccnc1 47572578 GDTDTTNKKCGORL-CYBMUJFWSA-N 368.868 3.957 0 40 FHAB COc1ccc(C2(C(=O)N[C@H](C)CCc3ccccc3)CCOCC2)cc1 1421269 RTTIADAELZDHCN-GOSISDBHSA-N 367.489 3.881 0 40 FHAB C[C@H](Sc1ccccc1)C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 12538795 FMFPVDRCDRPREY-KSSFIOAISA-N 369.465 3.946 0 40 FHAB O=C(O)c1c[nH]c2cc(OCc3ccc(Br)cc3)ccc2c1=O 27716873 SWTMBXHEWHOJEQ-UHFFFAOYSA-N 374.190 3.568 0 40 FHAB COc1ccc(Cc2nnc(SCc3cn4cccc(C)c4n3)o2)cc1 12531884 ASRXDMFBFFYHCF-UHFFFAOYSA-N 366.446 3.917 0 40 FHAB CC(=O)N[C@H](CC(=O)N(C)c1nc2ccccc2s1)c1ccc(C)cc1 26967847 JVVMCSGEQQESLI-QGZVFWFLSA-N 367.474 3.835 0 40 FHAB Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3nc(C)c(C)s3)C2)c1 44879728 CIOMRCBUONCPAG-MRXNPFEDSA-N 371.506 3.868 0 40 FHAB CC(C)c1ccc(-n2nnc(-c3nc(-c4ccc(F)cc4)no3)c2N)cc1 10273075 WPAUOJFPKYXUQO-UHFFFAOYSA-N 364.384 3.829 0 40 FHAB O=C(CCCCCCN1C(=O)c2ccccc2C1=O)NCc1ccccc1 2183315 WYTVBXICKXWJHJ-UHFFFAOYSA-N 364.445 3.550 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)NC[C@@]1(N(C)C)CCC[C@H](C)C1 58426581 HKSXRXAPIILAIC-LHSJRXKWSA-N 357.473 3.923 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccnn1Cc1ccc(C)cc1 28292218 ZVOIGABMEOXYHH-INIZCTEOSA-N 365.433 3.654 0 40 FHAB O=c1c2ccccc2nnn1CSc1nc(-c2ccccc2)cs1 3390248 NDJVFWHEEXOWGU-UHFFFAOYSA-N 352.444 3.665 0 40 FHAB CCN1C[C@@H](CN(C)C(=O)c2cc3ccc(C)cc3[nH]2)Oc2ccccc21 48300341 LEFZYCDKNJTONB-QGZVFWFLSA-N 363.461 3.836 0 40 FHAB Cc1cc(NC(=O)[C@H](C)Sc2nc3cc(Cl)ccc3n2C)no1 48346163 QWJYIADPKSDKPN-VIFPVBQESA-N 350.831 3.642 0 40 FHAB Cc1c(Cl)cccc1NC(=O)CCn1nc(-c2cccs2)oc1=O 12822512 ALYMODFNLSXJCM-UHFFFAOYSA-N 363.826 3.555 0 40 FHAB Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cc(=O)[nH]c2ccccc12 62640005 NUZSNSJWJVXJDB-UHFFFAOYSA-N 372.384 3.671 0 40 FHAB Cc1cc(NC(=O)C2CC2)sc1C(=O)N[C@H]1CCOc2ccccc21 12906680 FXKQXWNGCLZMIC-AWEZNQCLSA-N 356.447 3.659 0 40 FHAB Cc1noc(C)c1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 3533550 IXIWBUDJTXHLEM-UHFFFAOYSA-N 351.410 3.529 0 40 FHAB O=c1ccn(-c2ccccc2)nc1-c1nc(-c2ccccc2Cl)no1 49006322 ZWIQUNMXIUNGRK-UHFFFAOYSA-N 350.765 3.603 0 40 FHAB COc1ccc(N(C)C(=O)c2ccc(Br)s2)cc1OC 49319849 HXZFEFDMYZODMP-UHFFFAOYSA-N 356.241 3.804 0 40 FHAB CCOc1cccc2sc(NC(=O)c3c(OC)cccc3OC)nc12 27756787 ARWIFPWTKZWRSM-UHFFFAOYSA-N 358.419 3.965 0 40 FHAB O=C1C[C@H](c2cccnc2)c2c(c(C(=O)O)cn2-c2ccc(Cl)cc2)N1 49548539 CTVSQNFRCGVNKE-CQSZACIVSA-N 367.792 3.698 0 40 FHAB CSc1ccc(CN(C)C(=O)COc2cccc3cccnc23)cc1 8328587 AMRJXMITRFYCOQ-UHFFFAOYSA-N 352.459 3.994 0 40 FHAB O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccc(F)c(Cl)c1 6384161 ZIZMTUZLMPSFRO-UHFFFAOYSA-N 360.772 3.685 0 40 FHAB COc1ccc2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)[nH]c2c1 5323359 FWWVPGQMWGVUMI-UHFFFAOYSA-N 369.852 3.792 0 40 FHAB C[C@H](NC(=O)Cn1c(-c2cccs2)n[nH]c1=S)c1cccs1 14187966 SAEISYXDHBUIPM-VIFPVBQESA-N 350.494 3.608 0 40 FHAB COc1ccc(S[C@@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)cc1 22523644 WQFQHFSTXDSECX-HNNXBMFYSA-N 367.474 3.678 0 40 FHAB Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3nnc(CC(C)C)s3)[nH]n2)c1 5462765 UOVVEHDRMHBYKT-UHFFFAOYSA-N 371.466 3.701 0 40 FHAB O=C1C[C@](/C=C/c2ccccc2)(C(=O)NC2CCCC2)N1Cc1ccccc1 5484211 IGMLYZRRNFOPGK-RFAWQRTRSA-N 374.484 3.930 0 40 FHAB Cc1nnc(SCC(=O)Nc2ccc(C)c(Br)c2)s1 7193235 WULWUDCJEFVFDX-UHFFFAOYSA-N 358.286 3.648 0 40 FHAB CCc1ccc(-c2csc(NC(=O)C3CCN(C(C)=O)CC3)n2)s1 9155104 NWARWFGEKMSFQY-UHFFFAOYSA-N 363.508 3.631 0 40 FHAB O=C(COc1cccc(Cl)c1Cl)N1CCN(c2ccccc2)CC1 9379100 DYEUWVORDFOQNN-UHFFFAOYSA-N 365.260 3.721 0 40 FHAB COc1ccc(COc2ccccc2NC(C)=O)cc1Br 9313539 HASPGJWISFIJID-UHFFFAOYSA-N 350.212 3.995 0 40 FHAB Cc1nnc([C@H]2CCCN2C(=O)c2sc(-c3ccccc3)nc2C)o1 84064693 IVJJRHCTPVOTPE-CQSZACIVSA-N 354.435 3.787 0 40 FHAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccc(C(C)(C)C)cc1)C2=O 9532889 XSCAVGNRMBDZPC-LHSJRXKWSA-N 356.466 3.668 0 40 FHAB Cc1ccc(NC(=O)CNc2cccc(N3CCOC3=O)c2C)c(Cl)c1 72303887 OAWCVOGUERVKEY-UHFFFAOYSA-N 373.840 3.964 0 40 FHAB C[C@H]1CN(CCCCNc2ncnc3c2oc2ccccc23)C[C@H](C)O1 79063616 KOEPTOYJNUGADY-GJZGRUSLSA-N 354.454 3.677 0 40 FHAB C[C@@H]1Cc2ccc(Br)cc2[C@@H]1NCCSCC(C)(C)O 95451018 FTMJKCAOUVXJHY-IAQYHMDHSA-N 358.345 3.776 0 40 FHAB Cc1cnn(-c2ccc(C(=O)N3Cc4ccccc4N(C)C[C@@H]3C)cc2)c1 75107288 DTHPGWXYVUKOAK-KRWDZBQOSA-N 360.461 3.661 0 40 FHAB CCc1cc(=O)n2nc(N[C@@H](c3cccc(OC)c3)C(C)(C)C)sc2n1 75105839 NEPJGSNJBNFTRD-INIZCTEOSA-N 372.494 3.921 0 40 FHAB CSc1cccc(NC(=O)CN2Cc3ccccc3N(C)C[C@@H]2C)c1 75107704 KREFAAUSBWYIAV-HNNXBMFYSA-N 355.507 3.688 0 40 FHAB COc1cccc(OC)c1C(=O)Nc1ccc2nn(-c3ccccc3)nc2c1 408624548 XSFXKSNTYGQQQV-UHFFFAOYSA-N 374.400 3.690 0 40 FHAB O=S(=O)(Nc1c(Cl)cccc1Cl)c1ccc2c(c1)OCCO2 28248203 GFOIBFVKDSIFGH-UHFFFAOYSA-N 360.218 3.565 0 40 FHAB Cc1csc2nc(SCC(=O)N[C@H](C)c3ccccc3)nc(O)c12 408597844 JTHMLPFCSSEOBD-LLVKDONJSA-N 359.476 3.675 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c(C(=O)O)c1 36961630 MBQCJTOJKCJKBC-UHFFFAOYSA-N 366.247 3.862 0 40 FHAB O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)c1csc2cncn12 510334352 RDTRSOKABCGFMC-UHFFFAOYSA-N 368.393 3.652 0 40 FHAB Cc1cc(NC(=O)/C=C/c2ccc3c(c2)OCO3)n(-c2ccc(F)cc2)n1 32647496 CFPIHWKLRKGHRC-YCRREMRBSA-N 365.364 3.700 0 40 FHAB O=C(Nc1cccc(-c2cnco2)c1)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2 527483330 KCLLUDDBTSQPSV-QHSBEEBCSA-N 352.312 3.636 0 40 FHAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCSc3c(F)cccc32)c1 1543624445 HZQBAQLUYMCPNQ-OAHLLOKOSA-N 372.421 3.623 0 40 FHAB Cc1cc(C)cc(C(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)c1 32832795 NUPICYAWBOFCBP-INIZCTEOSA-N 362.433 3.952 0 40 FHAB CCCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cccnc1 35288843 FJCLTPRKPPUGTR-UHFFFAOYSA-N 371.441 3.620 0 40 FHAB Cc1ccc(NC(=O)COc2ccc(Cl)cc2-n2cnnc2)cc1C 32646766 BKWWBLCDMXNDMJ-UHFFFAOYSA-N 356.813 3.555 0 40 FHAB CC[C@H](Oc1ccccc1OC)C(=O)NCCCc1cccc(OC)c1 219557865 PBWPWDCMTUOHDZ-SFHVURJKSA-N 357.450 3.610 0 40 FHAB Cc1nc(-c2ccccc2)sc1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 72402806 LQZUPSYQQFFXCX-JXFKEZNVSA-N 356.491 3.886 0 40 FHAB CC1(C(=O)Nc2ccc(OC(F)(F)F)cc2)COC(c2ccco2)OC1 225917179 KBWDNYNGYNNILD-UHFFFAOYSA-N 371.311 3.869 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)n1cc(C(=O)OC)c2ccccc21 222621184 AFALMBGNFWPPQL-IBGZPJMESA-N 367.401 3.934 0 40 FHAB CCOC(=O)c1cc(NC(=O)c2ccc(OC)c(F)c2)ccc1Cl 225391541 WODHETVHQUTAJZ-UHFFFAOYSA-N 351.761 3.917 0 40 FHAB CC(C)(C)c1nnc(NC(=O)CN2CCC[C@H]2c2cccs2)s1 136253501 LXOVAYCIHRSQPE-NSHDSACASA-N 350.513 3.673 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C)c(C)c1 225056523 RODHRMLUYHFGCF-ZDUSSCGKSA-N 356.447 3.623 0 40 FHAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 222823070 ZMAUILMZEFYHJZ-OALUTQOASA-N 366.490 3.905 0 40 FHAB O=C(Nc1ccccc1C(F)(F)F)N1CCC(Cn2ccnc2)CC1 85436352 QLRKAYKEDMDTAA-UHFFFAOYSA-N 352.360 3.846 0 40 FHAB O=C(Nc1ccccc1)O[C@H]1CCC[C@@H](NS(=O)(=O)c2ccccc2)C1 77200258 FYWWCAXLFMDUFK-SJORKVTESA-N 374.462 3.525 0 40 FHAB COc1ccc(C[C@H]2CN(C(=O)c3cccc(C)c3)CC[C@H]2OC)cc1 96110255 VRVONEIDRSKVDM-PZJWPPBQSA-N 353.462 3.723 0 40 FHAB Cc1nn(C(C)C)c(C)c1NS(=O)(=O)c1cccc(COC(C)C)c1 96183410 FRMZAFJLQISCJP-UHFFFAOYSA-N 365.499 3.807 0 40 FHAB COc1ccc(OCCc2nnc(NC(=O)Nc3ccccc3)s2)cc1 95116483 SNUWLIUXNXXITQ-UHFFFAOYSA-N 370.434 3.812 0 40 FHAB CCC(=O)N1N=C(c2cc(OC)c(OC)c(OC)c2)C[C@H]1c1ccccc1 96191646 MKEZMJOFFXUJJZ-KRWDZBQOSA-N 368.433 3.800 0 40 FHAB O=C(c1ccncc1)N1CCC2(CC1)CCn1c(-c3ccccc3)cnc12 96145066 VOWIBTFYVDKSRW-UHFFFAOYSA-N 358.445 3.523 0 40 FHAB O=C(NC1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)CC1)c1ccccc1 98212668 FYWZUIQHHAHNHT-UHFFFAOYSA-N 364.424 3.615 0 40 FHAB Cc1ncoc1C(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257277621 NYTDOPTZXOKBIN-MRXNPFEDSA-N 355.369 3.678 0 40 FHAB CCN(CC)CC[C@@H](C)N[C@@H](c1nnnn1-c1c(C)cccc1C)C(C)C 255188781 LOMZMUNJURXOMN-RTBURBONSA-N 372.561 3.686 0 40 FHAB COCCn1c(C)cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c1C 260766285 JODIEFLECAOFNF-MDASCCDHSA-N 370.522 3.736 0 40 FHAB c1cc2c(cc1SCc1nc(-c3ccc4c(c3)OCO4)no1)OCCO2 588350075 XZGXLIHIHPYFHB-UHFFFAOYSA-N 370.386 3.529 0 40 FHAB Cc1cc(C)nc(N2C[C@H]3c4ccccc4[C@@H](NC(=O)C(C)(C)C)[C@H]3C2)n1 585109291 HBFWZFPRBLATSD-GBESFXJTSA-N 364.493 3.530 0 40 FHAB CO[C@@H]1CCN(Cc2ccc(C(=O)O)cc2)C[C@H]1Cc1cccc(F)c1 585277902 XLYXZQGIGOGCQR-UYAOXDASSA-N 357.425 3.604 0 40 FHAB C[C@@H](c1ccccc1)N1CCOC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 585104208 KVOGVFDFGQFHAG-JTSKRJEESA-N 368.452 3.642 0 40 FHAB CO[C@H]1CCCOC12CCN(C(=O)Cc1ccc3ccccc3c1)CC2 585263212 NNMPYKUBZDLEPL-FQEVSTJZSA-N 353.462 3.569 0 40 FHAB CC(C)C(=O)Nc1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1 42347700 MOHUZSNBHREPOH-UHFFFAOYSA-N 366.465 3.919 0 40 FHAB Cc1cc(C)c(NC(=O)[C@H](C)N2CCN(c3ccccc3F)CC2)c(C)c1 57024358 REKWPRDFBBCNKE-SFHVURJKSA-N 369.484 3.900 0 40 FHAB Cc1cnc(OC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nc1 653803522 RDYFOSJAQRODMS-UHFFFAOYSA-N 351.372 3.847 0 40 FHAB FC(F)(F)c1ccnc(OC2CCN(CCc3ccccc3)CC2)n1 1225709863 DYVIERLVKVJUFR-UHFFFAOYSA-N 351.372 3.581 0 40 FHAB Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)NCc2ccccc2)cc1 3068947 LERGEFLTWMIBSK-XSFVSMFZSA-N 360.413 3.675 0 40 FHAB CCOC(=O)c1cc(Cl)cnc1C1CCN(Cc2ccncc2)CC1 12144045 NKCVUOJZRDVGIO-UHFFFAOYSA-N 359.857 3.686 0 40 FHAB Cc1cccc(N2C[C@@H](C(=O)NC34CC5CC(CC(C5)C3)C4)CC2=O)c1C 12762887 XVSGHVFZLDWVRJ-HJGBXLFDSA-N 366.505 3.741 0 40 FHAB Cc1cc(OCC(=O)NCc2cnn(-c3ccccc3)c2)ccc1C(C)C 12768587 RCFWVWNKPYQUAY-UHFFFAOYSA-N 363.461 3.999 0 40 FHAB O=C(c1cccs1)N1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1 13266428 GBOVANRCKKRHTC-UHFFFAOYSA-N 362.838 3.787 0 40 FHAB CCOc1ncccc1C(=O)Nc1nnc(SCc2ccccc2)s1 14582687 SPMVFFNLSWOSSH-UHFFFAOYSA-N 372.475 3.876 0 40 FHAB CC(C)Oc1ccc(/C=C/C(=O)NC[C@@H]2OCCc3ccccc32)cc1 16849615 PRWLQDVOTNZUNZ-ZRFOIIEFSA-N 351.446 3.917 0 40 FHAB CCN1C[C@@H](CN(C)C(=O)Nc2ccc(F)cc2F)Oc2ccccc21 17743659 ZXELNCJMIJLBKF-CQSZACIVSA-N 361.392 3.716 0 40 FHAB Fc1cccc(CN2CCO[C@H](c3nc(-c4ccccc4)no3)C2)c1F 19374365 SVKFGIKBYDVUGU-INIZCTEOSA-N 357.360 3.588 0 40 FHAB COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)Cc2ccccn2)cc1 19557542 PTSQYYLFOYPPSL-LGGPRVQUSA-N 350.462 3.721 0 40 FHAB Cc1ncsc1-c1nnc([C@@H]2CCCN2C(=O)c2ccccc2F)o1 19562968 GSVBDYABOCZFMY-ZDUSSCGKSA-N 358.398 3.618 0 40 FHAB COc1cccc(C(=O)N2CCC[C@H](c3cc4ncccc4[nH]3)C2)c1OC 19567284 QOZIRTDUFKESHW-AWEZNQCLSA-N 365.433 3.600 0 40 FHAB CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1NCCN(C)C 948986 BYHSJWSHAPYVGN-UHFFFAOYSA-N 356.253 3.692 0 40 FHAB Cc1ccc(NC(=S)NC(=O)C(C)(C)C)cc1-c1ccc(C(=O)O)o1 226351131 XJNXSYRMKUKUKA-UHFFFAOYSA-N 360.435 3.812 0 40 FHAB Cc1nonc1-c1csc(NC(=O)c2ccnc3ccc(Cl)cc23)n1 12202357 RMMRFLVBVSXZJM-UHFFFAOYSA-N 371.809 3.955 0 40 FHAB O=C(Oc1ccc(N2CCCC2=O)cc1)c1ccc(Br)s1 28256146 QJBJFSUYYNRDHU-UHFFFAOYSA-N 366.236 3.857 0 40 FHAB CCOc1ccc2nc(SCC(=O)Nc3nccs3)sc2c1 1058709 CVTDQLTYMUPGBY-UHFFFAOYSA-N 351.478 3.882 0 40 FHAB O=C(Nc1ccc(F)cc1)c1cccn(Cc2cccc(Cl)c2)c1=O 5270533 LXSUDZLGCGNWGD-UHFFFAOYSA-N 356.784 3.941 0 40 FHAB COCCn1cc(NC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21 5266541 JQHZULWDLYTEKM-UHFFFAOYSA-N 367.405 3.703 0 40 FHAB CCOc1cccc2sc(NC(=O)Cc3ccc4c(c3)OCO4)nc12 9521240 IIMHHDUXGYJRPZ-UHFFFAOYSA-N 356.403 3.605 0 40 FHAB COc1ccc(OCC(=O)NCc2cc(-c3ccc(Cl)cc3)on2)cc1 12235674 WVPSSBIXZSAREZ-UHFFFAOYSA-N 372.808 3.699 0 40 FHAB CCc1nc2sc([C@@H](c3cccc(C)c3)N3CCCCC3)c(O)n2n1 22853076 SZIWCHIMSLAPEQ-MRXNPFEDSA-N 356.495 3.943 0 40 FHAB Cn1nc(-c2cccs2)cc1CNC(=O)c1nc2ccccc2s1 1775966635 QSWYDXJQUSXXNG-UHFFFAOYSA-N 354.460 3.688 0 40 FHAB O=C(Cc1ccc(F)cc1)NCc1ccc(OCc2cccnc2)cc1 32930324 OPYAIIHPIBTCCV-UHFFFAOYSA-N 350.393 3.659 0 40 FHAB CC(C)(C)c1noc(CCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)n1 40090258 TYVUJYYBHVCVPV-HNNXBMFYSA-N 367.453 3.540 0 40 FHAB NC(=O)Nc1ccc(C(=O)NCc2cccc(Oc3ccccc3)c2)cc1 40093644 SWZNHULCDVYQCU-UHFFFAOYSA-N 361.401 3.900 0 40 FHAB CN(CC(=O)Nc1ccnn1Cc1cccc(Cl)c1)C1CCCCC1 40020100 WYMWOGXIOAKVKR-UHFFFAOYSA-N 360.889 3.788 0 40 FHAB COc1nn(C)c2nc(C)c(CCC(=O)Nc3ccc(C)cc3C)c(C)c12 40074776 NIDXVVPZPVUXFQ-UHFFFAOYSA-N 366.465 3.782 0 40 FHAB O=C1CN(Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 40157362 CMDZFDPAVJWWJV-UHFFFAOYSA-N 363.186 3.557 0 40 FHAB CCn1c(=O)c(C)nc2cc(C(=O)N3CCC[C@@H]3c3ccsc3)ccc21 40107729 NDGAHKLGXMCEKP-QGZVFWFLSA-N 367.474 3.764 0 40 FHAB CCCOc1cccc(NC(=O)N(C)CC(=O)N(C)C2CCCCC2)c1 40120280 MRHDEHPSWSLLCG-UHFFFAOYSA-N 361.486 3.730 0 40 FHAB C[C@H](OC(=O)c1ccccn1)C(=O)N(Cc1ccccc1)Cc1ccccc1 11077418 BKKYPZHWPBVKIH-SFHVURJKSA-N 374.440 3.856 0 40 FHAB CC(C)Sc1nc(NCCCO)c2c3c(sc2n1)COC(C)(C)C3 2434695 NMADJXKNAXXKDQ-UHFFFAOYSA-N 367.540 3.837 0 40 FHAB CC(C)NC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 661468 DXGBRMMVMSHZOA-UHFFFAOYSA-N 350.462 3.730 0 40 FHAB NNc1nc2c(c(=O)n1C1CCCC1)C1(CCCC1)Cc1ccccc1-2 857344 YXVLHVQLYTURGI-UHFFFAOYSA-N 350.466 3.679 0 40 FHAB CCOc1ccc(-n2nnnc2SCC(=O)c2cc(C)ccc2C)cc1 892174 NMOYMXBHCMZRBZ-UHFFFAOYSA-N 368.462 3.653 0 40 FHAB C[C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccoc3)C2)c2ccccc21 31780914 GREVSENSXIYJEE-HOTGVXAUSA-N 352.434 3.672 0 40 FHAB COc1cc(NC(=O)c2cc(-c3ccc(F)cc3)on2)cc(OC)c1OC 4880464 WZJYOVCVDXDYPI-UHFFFAOYSA-N 372.352 3.759 0 40 FHAB CCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 6258844 OAOKTDMMBNTZRB-UHFFFAOYSA-N 351.855 3.705 0 40 FHAB O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cccc(F)c1 6885824 WWCPNSQGQQUENQ-UHFFFAOYSA-N 360.344 3.879 0 40 FHAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2cccc(C)c2)CC1=O 7881889 VJXXSQYFGBGOFJ-CYBMUJFWSA-N 358.825 3.649 0 40 FHAB O=C(c1ccc(Cl)cc1)N1CCCC[C@@H](Sc2nncs2)C1=O 8132914 JMLCYJRILZZSQZ-GFCCVEGCSA-N 367.883 3.505 0 40 FHAB CC(C)c1ccc(-c2nnn(CC(=O)N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 7414396 GROQTGVEYFOTMF-MJGOQNOKSA-N 367.497 3.645 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1C 32776764 PJRLVEXECYBWBK-GOSISDBHSA-N 361.463 3.662 0 40 FHAB O=C(NCCc1ccccc1F)c1ccc(Cl)cc1N1CCCC1=O 32768815 OJUPEXXFRKPMRP-UHFFFAOYSA-N 360.816 3.578 0 40 FHAB O=C(c1cc2c(s1)CCCCCC2)N1CCC(C(=O)N2CCCC2)CC1 32857857 RJELFXFDEMNLDR-UHFFFAOYSA-N 374.550 3.882 0 40 FHAB CN1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccsc2)CC1 9613661 DJOWGAHVTBJYAO-GORDUTHDSA-N 361.898 3.805 0 40 FHAB O=C(Nc1ccc(OCCO)cc1)c1cccnc1Nc1cccc(F)c1 89779353 UUWWSOCJOPBEAY-UHFFFAOYSA-N 367.380 3.588 0 40 FHAB Cc1cccc(C)c1NC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 102846259 SKZVRNMQGJPZDO-AMZMEHNNSA-N 350.466 3.829 0 40 FHAB O=C(CN[C@H](c1ccccc1)c1cccs1)Nc1ccc2c(c1)OCO2 89827671 YAMBZNRQVSDSMJ-HXUWFJFHSA-N 366.442 3.795 0 40 FHAB C[C@@H]1COc2ccccc2N1S(=O)(=O)c1ccccc1OC(F)(F)F 33859636 UAAXTDZNMCHPHC-LLVKDONJSA-N 373.352 3.561 0 40 FHAB COC(=O)c1ccc2nc(NC(=O)COc3cccc(C)c3C)sc2c1 20412406 RREGGTGVLDATAF-UHFFFAOYSA-N 370.430 3.717 0 40 FHAB O=C([C@@H]1CCCN(Cc2ccccc2F)C1)N1CCc2ccccc2C1 1275932 UFFZQDPZWYJGEY-HXUWFJFHSA-N 352.453 3.623 0 40 FHAB COc1ccc2nc(C(=O)Nc3cnc4c(cnn4C(C)C)c3)ccc2c1 24873742 LQYXBRIDVNAZSV-UHFFFAOYSA-N 361.405 3.821 0 40 FHAB COC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1 24961642 HMETUPYIVVURBQ-UHFFFAOYSA-N 355.781 3.769 0 40 FHAB Cc1cc(OCC(=O)NCc2ccc(-n3ccnc3)cc2)ccc1Cl 20111492 HGFVQLAPLAFNFA-UHFFFAOYSA-N 355.825 3.529 0 40 FHAB Nc1ncnc2sc3c(c12)CCN(C(=O)Cc1cccc2ccccc12)C3 12553908 TXWGGTDMNSVGNO-UHFFFAOYSA-N 374.469 3.554 0 40 FHAB CCc1ccccc1O[C@@H](C)C(=O)NCc1ccc(-n2ccnc2C)cc1 20456634 UCAWVMTZIICPPH-INIZCTEOSA-N 363.461 3.827 0 40 FHAB Cc1noc(C)c1CC(=O)N1CCC[C@@H]1c1cccc(Br)c1 55785343 HLLFFBWSOLRVLP-MRXNPFEDSA-N 363.255 3.960 0 40 FHAB Cc1ccc(NC(=O)COc2cc(C)nc(N3CCCCCC3)n2)c(C)c1 44169999 RFAWATFHBKIVOY-UHFFFAOYSA-N 368.481 3.800 0 40 FHAB O=C(COC(=O)c1ccccc1Nc1ccccc1)NCc1ccccc1 3273515 LVDDRPHVTBBMSH-UHFFFAOYSA-N 360.413 3.903 0 40 FHAB COc1ccc(CCNC(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1OC 26519342 XCFBOBGJPSZKCH-GFCCVEGCSA-N 364.392 3.585 0 40 FHAB CC(=O)CSc1nc2sc3c(c2c(=O)n1CC(C)C)CCCC3 3222382 MWALDHSNFUZOBU-UHFFFAOYSA-N 350.509 3.674 0 40 FHAB C[C@H]1CCCN(C(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)C1 12601769 ISEKZURPHDKEEV-IINYFYTJSA-N 372.412 3.767 0 40 FHAB Cc1ccc(-c2cc(C(=O)Nc3ccc(-n4ccnc4C)nc3)n[nH]2)s1 58159918 VPJZQUFZURLHKC-UHFFFAOYSA-N 364.434 3.588 0 40 FHAB CS(=O)(=O)Cc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1 58202775 IALKREVFFLUZHX-UHFFFAOYSA-N 372.368 3.894 0 40 FHAB O=C(COC(=O)Cc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cn1 3334304 ZFVBWQRMWWWVOT-UHFFFAOYSA-N 373.623 3.766 0 40 FHAB CCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2cc(C)on2)=C1C 10353460 SAVXLJMFVGRICV-MRXNPFEDSA-N 374.828 3.635 0 40 FHAB O=C(/C=C/c1ccc(F)cc1)NCc1ccc(N2CCCCCC2)nc1 58413892 JRUAXTQNUAHKGE-XYOKQWHBSA-N 353.441 3.931 0 40 FHAB Cc1cc(-c2nn3c(-c4cc(Cl)cc(Cl)c4)nnc3s2)n(C)n1 36359447 ROAAREGMOWRQGL-UHFFFAOYSA-N 365.249 3.869 0 40 FHAB CN(CCCNC(=O)C1(c2cccc(F)c2)CCC1)Cc1ccccc1 58612555 GNVKHARSMDVWBE-UHFFFAOYSA-N 354.469 3.886 0 40 FHAB CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(C)cc1 12772502 BEBBIRCWRHEHLP-GOSISDBHSA-N 357.429 3.741 0 40 FHAB Cc1nc2nc(=S)n(CN3CCC[C@H]3c3ccccc3)n2c(C)c1C 48343194 PGCBHJOFONDVIE-KRWDZBQOSA-N 353.495 3.980 0 40 FHAB O=C(NC1CC1)[C@@H](NCc1ccccc1OC(F)(F)F)c1ccccc1 12877798 DQVATEFGWKGGGU-KRWDZBQOSA-N 364.367 3.695 0 40 FHAB O=C(/C=C/c1ccccc1F)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12887614 FPDLLUUYHMMRHA-XSFOEPMVSA-N 353.393 3.974 0 40 FHAB O=C(Cc1ccc2c(c1)CCCC2)NC1CCN(Cc2ccccc2)CC1 12999687 SRAZBESNZZBUDI-UHFFFAOYSA-N 362.517 3.889 0 40 FHAB Cc1csc(CNC(=O)c2sc(NC(=O)c3ccco3)cc2C)n1 21483299 PJTJKMSLINONCQ-UHFFFAOYSA-N 361.448 3.597 0 40 FHAB O=C(COC(=O)c1ccccc1Br)Nc1ccc(F)c(F)c1 3506956 VRBGCBUBHYOSHA-UHFFFAOYSA-N 370.149 3.523 0 40 FHAB CC[C@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccc(OC)cc1 3895920 CJDGUAJAZWPYEA-WIUGKXBGSA-N 360.498 3.991 0 40 FHAB Cc1nc2ccc(NC(=O)c3ccc4c(O)[nH]c(=S)nc4c3)cc2o1 63809542 DWLMSBFUSGHCRK-UHFFFAOYSA-N 352.375 3.700 0 40 FHAB Cc1ccc(-c2csc3ncnc(NCC(=O)NC(C)(C)C)c23)cc1 7902677 NWNHGLVTPOWAFH-UHFFFAOYSA-N 354.479 3.993 0 40 FHAB O=C(CCC(=O)c1ccc2c(c1)CCCC2)NCc1ccc2c(c1)OCO2 8181223 YIRQHEZIVCTLNK-UHFFFAOYSA-N 365.429 3.573 0 40 FHAB Cc1cc(C)n(-c2cc(N3C[C@H](C)O[C@@H](C)C3)nc(-c3ccccc3)n2)n1 5354150 XBJDAUWGUXZRDP-IRXDYDNUSA-N 363.465 3.560 0 40 FHAB C[C@H]1CC(=O)c2c(OCC(=O)N[C@H](C)c3ccc(F)cc3)ccc(F)c21 14110666 XJPSRTPRAWDLCZ-NWDGAFQWSA-N 359.372 3.911 0 40 FHAB Cc1nn(C)c(C)c1NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 14118408 LHXINRIFEKUQHU-UHFFFAOYSA-N 365.462 3.998 0 40 FHAB Cc1cc(C(=O)Cn2nnc(-c3ccccc3)n2)c(C)n1Cc1ccccc1 4549275 ZOLNKRVEPOYQPE-UHFFFAOYSA-N 371.444 3.690 0 40 FHAB C[C@H]1C[C@H]2[C@@H]3CC4(CC4)[C@](C)(O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@]12O 118936569 IRWYKFPPOMXMCD-CJWGEJFDSA-N 362.554 3.892 0 40 FHAB C[C@@H](NC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1cccs1 14219913 SIIFEMAHHQMDDE-CYBMUJFWSA-N 355.463 3.983 0 40 FHAB COc1cc2ccccc2cc1C(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 14361446 ZSBQEEZIFRCJQM-ZRGWGRIASA-N 369.461 3.946 0 40 FHAB Cc1ccc(NC(=O)[C@H](Sc2nnnn2C2CC2)c2ccccc2)cc1 8232182 BLZKIAGKVKEVHU-QGZVFWFLSA-N 365.462 3.789 0 40 FHAB CCC[C@H](C)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccccc1OC 5564093 VRWZTDUHGKBLLK-MEDUHNTESA-N 361.467 3.733 0 40 FHAB C[C@H](OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C(=O)NC1CCCC1 4890184 LRJBGBWXZKYVHO-ZDUSSCGKSA-N 354.450 3.651 0 40 FHAB Brc1cccc([C@H]2C[C@H](c3cccnc3)Nc3ncnn32)c1 6920138 WCUNNUMUSDOESG-HUUCEWRRSA-N 356.227 3.582 0 40 FHAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(Br)cc1 7069699 WCLYSTFWVNGXSM-UHFFFAOYSA-N 373.250 3.757 0 40 FHAB Cc1cccc(-c2nnc(SC/C=C/c3ccccc3)n2CC(N)=O)c1 8705663 MNAONUQZJSBTRP-UXBLZVDNSA-N 364.474 3.544 0 40 FHAB Cc1nn(C)cc1-c1cc(C(F)(F)Cl)c2c(C3CC3)nn(C)c2n1 8782466 JNPAHRZTZLHFDI-UHFFFAOYSA-N 351.788 3.843 0 40 FHAB CN(C)S(=O)(=O)c1ccc(-c2csc(-c3cccs3)n2)cc1 8940560 UWRPXBADNQCKAP-UHFFFAOYSA-N 350.490 3.789 0 40 FHAB CCN(CC)CCn1cnc2oc(-c3ccco3)c(-c3ccco3)c2c1=N 8991697 YSIHLHPQRUBKCB-UHFFFAOYSA-N 366.421 3.971 0 40 FHAB Cc1cc(C)c(NC(=O)CN(C)Cc2ccc3c(c2)OCCO3)c(Cl)c1 25398656 WSHIFFMEJVOZHN-UHFFFAOYSA-N 374.868 3.799 0 40 FHAB COc1cccc2sc(NC(=O)c3cncc(Br)c3)nc12 9315748 AQOUCLJHRJNEML-UHFFFAOYSA-N 364.224 3.715 0 40 FHAB COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1nc(-c2ccco2)sc1C 79071625 UZVSKKJKYRKCKO-OLZOCXBDSA-N 362.451 3.563 0 40 FHAB O=C(COC(=O)c1cccc(F)c1)c1ccc(NC(=O)c2ccco2)cc1 9834543 JTSJQAFQOWKELM-UHFFFAOYSA-N 367.332 3.711 0 40 FHAB Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)c(C)c1 72309910 WBVCBJMNIXZCMV-UHFFFAOYSA-N 372.490 3.552 0 40 FHAB COC(=O)C1(NC(=O)c2ccc(-c3ccccc3F)o2)CCC(C)CC1 84689216 KRFBTLDKWOUEJW-UHFFFAOYSA-N 359.397 3.937 0 40 FHAB CCC[C@H]1C(=O)NCCN1c1ncnc2scc(-c3ccc(F)cc3)c12 95451666 OSYYPCSBAUIQDU-HNNXBMFYSA-N 370.453 3.602 0 40 FHAB CCCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 409408927 FFNNRWOHHAMOSN-UHFFFAOYSA-N 360.479 3.716 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3cc(-c4ccccc4)n[nH]3)n[nH]2)cc1 28243496 OLRYBQQGMNIHSL-UHFFFAOYSA-N 359.389 3.728 0 40 FHAB CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2)C1 95998621 HSFIEIPYONAEIC-GOSISDBHSA-N 362.433 3.541 0 40 FHAB CC(C)[C@H](NC(=O)NCCc1cccs1)c1ccc2c(c1)OCCO2 9977023 PRZVHTJSSCQYJL-SFHVURJKSA-N 360.479 3.758 0 40 FHAB Cc1ccccc1CCNC(=O)c1cnc(OCC(F)(F)F)c(Cl)c1 89689336 ARNSYJDZPAGJRH-UHFFFAOYSA-N 372.774 3.957 0 40 FHAB Cc1ccccc1NC(=O)N1CCC(NC(=O)c2ccccc2F)CC1 35314438 PVIVHLZVRKIRNU-UHFFFAOYSA-N 355.413 3.560 0 40 FHAB CCCn1c(SCc2ccc3c(c2)OCO3)nc2ccccc2c1=O 67258670 RYTSNTWBJPFSJG-UHFFFAOYSA-N 354.431 3.828 0 40 FHAB O=C(OCCCN1C(=O)c2ccccc2C1=O)c1cc2ccccc2s1 39977871 AHGTZTOCVHFKKT-UHFFFAOYSA-N 365.410 3.744 0 40 FHAB Cc1cc(C(=O)Nc2ccc(I)cc2C)ccc1N 37029249 NLNXXNOZFPUGTR-UHFFFAOYSA-N 366.202 3.743 0 40 FHAB Cn1cc([C@H]2SCC(O)=Nc3c2c(O)nn3C2CCCCCC2)cn1 79481668 DLRDOGPFRWKJIP-OAHLLOKOSA-N 361.471 3.642 0 40 FHAB CCOc1ccc(CCCNC(=O)CCc2ccc(OC)c(OC)c2)cc1 219281503 HKMWWDRCBSIKIE-UHFFFAOYSA-N 371.477 3.784 0 40 FHAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2ccc3ccccc3n2)c1 48332998 HNRRYUUWYRJMHK-HNNXBMFYSA-N 361.445 3.693 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 223682606 ZUYSYJAQSLETEJ-LJQANCHMSA-N 366.505 3.708 0 40 FHAB CC(C)(C)CC(C)(C)NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 224405919 DIJKUCAQOMYERP-UHFFFAOYSA-N 360.907 3.656 0 40 FHAB N#C/C(=C\c1ccc(OCCC(=O)O)cc1)C(=O)Nc1cccc(Cl)c1 44023717 ZVMMADKFMRUUMK-GXDHUFHOSA-N 370.792 3.739 0 40 FHAB Cc1ccc2nc([C@@H]3CCCN(C(=O)Cn4cc5ccccc5n4)C3)[nH]c2c1 328861273 AOZWNWOTORZNOJ-QGZVFWFLSA-N 373.460 3.627 0 40 FHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(N2CCOCC2)cc1 225005316 ITUHZLVDSOZAOJ-HXUWFJFHSA-N 368.477 3.936 0 40 FHAB CCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223311682 CBLNDEPLLJQKCJ-GHTZIAJQSA-N 366.505 3.951 0 40 FHAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 222413166 WJGMYTBQHPLFGO-OAQYLSRUSA-N 366.505 3.870 0 40 FHAB CCCOC(=O)c1cc(N)ccc1NCCc1ccc(OC)c(OC)c1 225459719 RNYTXZVFQJMASA-UHFFFAOYSA-N 358.438 3.507 0 40 FHAB CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2ccccc2c1 225058788 ONQNWYRULKEEJT-UHFFFAOYSA-N 369.442 3.826 0 40 FHAB S=C(NCC1(c2ccc(Cl)cc2)CCOCC1)Nc1ccncc1 224017029 XLHLWWDQTUXVGX-UHFFFAOYSA-N 361.898 3.770 0 40 FHAB COc1ccc(-c2ccnc3nc(CCc4ccccc4)nn23)cc1OC 95472067 XCIFNGCKYLMGBB-UHFFFAOYSA-N 360.417 3.594 0 40 FHAB CCOc1ccc([C@H]2C[C@@H](NC(=O)CCOC)[C@@H]3CCCC[C@H]3O2)cc1 257260171 LBPYRKNRFFJLCY-MTQWCTHYSA-N 361.482 3.627 0 40 FHAB O=C(O)c1ccccc1-c1cnc(CN2CCC[C@H]2c2cc[nH]n2)s1 257276943 NVUOYCDRBPXGDB-HNNXBMFYSA-N 354.435 3.569 0 40 FHAB COC1CCC(NC(=O)N2CCC(n3c(C)nc4ccccc43)CC2)CC1 656373823 WIWQGFOUVXTMNG-UHFFFAOYSA-N 370.497 3.649 0 40 FHAB O=C(NCC1(c2ccc(F)cc2F)CC1)N1CCC(c2ccccn2)CC1 677770363 QIPYYJPAHGVOSI-UHFFFAOYSA-N 371.431 3.981 0 40 FHAB CCc1ccc([C@@H]2CCCN2C(=O)c2cc3cnn(CC)c3nc2C)o1 572924054 QDUYZXMVBNDFNS-KRWDZBQOSA-N 352.438 3.892 0 40 FHAB CC(=O)N1CCC[C@H](NCCc2cccc(F)c2)[C@@H]1Cc1ccc(F)cc1 585286302 PSMSEHXJWKSTMB-VXKWHMMOSA-N 372.459 3.719 0 40 FHAB CCCC[C@@H](CC)c1nnc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)s1 5597348 RYFGURUWIFMZAX-AGIUHOORSA-N 351.472 3.827 0 40 FHAB CC(C)C(=O)N(Cc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 5624996 JBFIUUSDMCIAEQ-UHFFFAOYSA-N 369.852 3.761 0 40 FHAB Cc1sc2nc(C3CC3)n(C3CCN(C(=O)C4CC4)CC3)c(=O)c2c1C 12185431 DXCKDPYYCQUYBB-UHFFFAOYSA-N 371.506 3.526 0 40 FHAB COc1cc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc(OC)c1 12909432 KXWLEIPVPJKSEO-UHFFFAOYSA-N 353.378 3.678 0 40 FHAB COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2cc3ccccc3o2)c1 13155763 FDIVHEHGBSQDQW-GFCCVEGCSA-N 369.373 3.634 0 40 FHAB CC(C)NC(=O)c1ccccc1NC(=O)COc1ccccc1C(C)C 14009085 HBJLNUPOXDRVIB-UHFFFAOYSA-N 354.450 3.966 0 40 FHAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)NC(C)C 14009246 CODNLWTYKLIBFA-GOSISDBHSA-N 354.450 3.929 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)Oc2cccc(F)c2)c(OC)c1 19078706 CVWCEIXFVUOADF-KUHUBIRLSA-N 373.424 3.974 0 40 FHAB O=C(c1cccc(F)c1)N1CC[C@H](c2ccccc2)[C@H]2NCCCC[C@H]21 19373894 DNAHXOQPNLDCEQ-NJDAHSKKSA-N 352.453 3.966 0 40 FHAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@H]1CCCOc2c(Cl)cccc21 678881538 LRFUKLFCKICXSL-BZNIZROVSA-N 361.873 3.824 0 40 FHAB O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)c(F)c1 6800750 DXEUUBLVVVBERH-UHFFFAOYSA-N 353.268 3.664 0 40 FHAB CCOC(=O)[C@H](CC)Sc1ncnc2c1cnn2-c1ccc(C)cc1C 4341770 YDZWRHKXJGVZSK-INIZCTEOSA-N 370.478 3.866 0 40 FHAB O=C1CC2(CCN(C(=O)c3ccc(F)c(F)c3)CC2)Oc2ccccc21 4505521 SYQCTPBPSCROKH-UHFFFAOYSA-N 357.356 3.605 0 40 FHAB COc1ccc2nc(-c3ccc(F)c(NC(=O)c4ccccc4)c3)cn2n1 11693527 VLUCRFQGDOVOHM-UHFFFAOYSA-N 362.364 3.796 0 40 FHAB CN(c1ncccc1C(F)(F)F)[C@H]1CCCN(C(=O)NC(C)(C)C)C1 1889133956 LZVHKYBYSZZXEH-LBPRGKRZSA-N 358.408 3.509 0 40 FHAB O=C(Cn1cnc2ccccc21)N1CCS[C@@H](c2cccs2)CC1 219462428 GHPMSALSWRMVQB-QGZVFWFLSA-N 357.504 3.805 0 40 FHAB O=C(/C=C/c1ccccc1)NCC1CCN(C(=O)Oc2ccccc2)CC1 43983160 ULSUWWBIQNBWRR-VAWYXSNFSA-N 364.445 3.727 0 40 FHAB CC(=O)OC(C)(C)C(=O)c1ccc(Br)cc1C(F)(F)F 575362548 XFDOEDGVBFOPSR-UHFFFAOYSA-N 353.134 3.992 0 40 FHAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@H](CC)c2cc(F)ccc2OC)c1 1638716029 HSMMEABXSFCPBZ-MRXNPFEDSA-N 372.396 3.546 0 40 FHAB COc1ccc(-c2nnc(Cc3nc(-c4ccc(F)cc4)no3)o2)cc1 65185389 NWXURILBIBIPCF-UHFFFAOYSA-N 352.325 3.525 0 40 FHAB Cc1c(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)cnn1C(C)(C)C 40140745 NTSDWBYVFAELKY-KRWDZBQOSA-N 353.470 3.950 0 40 FHAB CCCc1nnc(NC(=O)Cc2c(C)nn(-c3ccccc3F)c2C)s1 40130657 ANLXJRGRTGHSMR-UHFFFAOYSA-N 373.457 3.613 0 40 FHAB COc1ccccc1C[C@@H]1CCCN1CC(=O)Nc1ccc(Cl)cc1 58975821 LJPPAHKNHMIRAL-SFHVURJKSA-N 358.869 3.994 0 40 FHAB C[C@H](c1ccccc1)N(C)C(=O)COC(=O)/C=C/c1nc2ccccc2o1 7157597 MTIQNSNBMXVENF-RDRICISKSA-N 364.401 3.604 0 40 FHAB Cc1ccc(C2=Nn3c(COc4ccccc4)nnc3SC2)c(C)c1 7238806 FDMYDFRLODZNKM-UHFFFAOYSA-N 350.447 3.832 0 40 FHAB O=C(COc1ccc2c(c1)OC1(CCCCC1)CC2=O)NCc1ccco1 20737477 ZORZQPIBANJYHA-UHFFFAOYSA-N 369.417 3.643 0 40 FHAB O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1[C@H]1CCCNCC1 6117751 WRYCMIFVXDQIKN-KRWDZBQOSA-N 367.880 3.955 0 40 FHAB world O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccccc1N1CCCC1 6615716 RQXQJALIRFNSBT-UHFFFAOYSA-N 373.909 3.996 0 40 FHAB CCOc1ccc(C(=O)Nc2c(O)c3ccccc3oc2=O)cc1OCC 6825799 ZKHOXXSHMYWIIT-UHFFFAOYSA-N 369.373 3.548 0 40 FHAB C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1ccc(F)cc1F 7260082 NWXVXGINBOUTJV-MRVPVSSYSA-N 366.418 3.931 0 40 FHAB O=C(C[C@@H]1C(=O)OCCN1Cc1ccccc1)Nc1cccc2ccccc12 54670581 JFUVINLSRAKNOG-OAQYLSRUSA-N 374.440 3.596 0 40 FHAB Cc1nc(SCC(=O)Nc2cncs2)c2c(C)c(C)sc2n1 2647654 BZSBXUBTJKHBMP-UHFFFAOYSA-N 350.494 3.804 0 40 FHAB O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc(F)cc1F 32817140 OFCNOXNACNZANY-UHFFFAOYSA-N 365.401 3.933 0 40 FHAB C[C@H](C(=O)Nc1ccccc1F)[S@](=O)CCOc1ccccc1Cl 32801064 DTNCDFQJUZBLKP-YYUOZPCZSA-N 369.845 3.634 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)cc1 2767213 WPWASAYWUQIECF-UHFFFAOYSA-N 369.490 3.966 0 40 FHAB CC(=O)CCc1ccc(OC[C@H](O)CN2CCC[C@H]3CCCC[C@@H]32)cc1 37201814 QEPLIBYYEBCJRH-SJBKTWHCSA-N 359.510 3.603 0 40 FHAB Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)c1ccccn1 55593316 IHFPHKUZCJPKCD-GASCZTMLSA-N 351.450 3.760 0 40 FHAB COc1ccc([C@@H](NC(=O)CN2CCCCCC2)c2ccccc2)cc1 7424421 OPMPDPRHOQSZED-QFIPXVFZSA-N 352.478 3.777 0 40 FHAB O=C(N[C@@H]1CCN(CC(F)(F)F)C1)C1(c2ccc(Cl)cc2)CCCC1 61582907 CWJFIIWYAGEETC-OAHLLOKOSA-N 374.834 3.905 0 40 FHAB O=C(Nc1ncc2c(n1)C[C@@H](c1ccc(F)cc1)CC2=O)c1ccccc1 893684 FXRUFDVFSAESRN-OAHLLOKOSA-N 361.376 3.781 0 40 FHAB COc1ccc(S[C@H](C)C(=O)NCCCc2ccccc2)cc1OC 20106315 FRZTTWBRVIUWMC-OAHLLOKOSA-N 359.491 3.933 0 40 FHAB Cn1c(SCC(=O)NC2CCCCC2)nnc1-c1cc2ccccc2o1 813863 BZVDINFCPCAPAY-UHFFFAOYSA-N 370.478 3.769 0 40 FHAB CC(=O)c1ccc(N2CCN(Cc3cccc4cccnc34)CC2)c(F)c1 54193018 VHYWXRLXHFEXCA-UHFFFAOYSA-N 363.436 3.899 0 40 FHAB CCOC(=O)c1cccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)c1 950129 BVGHENHSCDDWRU-UHFFFAOYSA-N 369.446 3.924 0 40 FHAB c1ccc(CN2CCO[C@H](CNc3ncnc4c3oc3ccccc34)C2)cc1 23381244 CCTSTMTUFUHVOI-QGZVFWFLSA-N 374.444 3.689 0 40 FHAB O=C(CCc1nc(-c2cccs2)no1)NC12CC3CC(CC(C3)C1)C2 23718888 AHQHFFGPCQXCCD-UHFFFAOYSA-N 357.479 3.816 0 40 FHAB Cc1cc(NC(=O)[C@@H](Nc2ccc3c(c2)OCCO3)c2ccccc2)no1 12534534 YIUSTGMQAIBMET-IBGZPJMESA-N 365.389 3.546 0 40 FHAB O=C(CN1CCN(Cc2csc3ccccc23)CC1)Nc1ccccc1 22932752 OAKGIVNMANXHSB-UHFFFAOYSA-N 365.502 3.658 0 40 FHAB CC(C)C(=O)c1ccc(OCCSc2nnnn2-c2ccccc2)cc1 3168504 YYRYLRVQWDIBQW-UHFFFAOYSA-N 368.462 3.672 0 40 FHAB O=C(O)Cc1ccc(NC(=S)NC(=O)c2ccc3ccccc3c2)cc1 20152252 VRKYSEDKDXTOLD-UHFFFAOYSA-N 364.426 3.594 0 40 FHAB Cc1nc(-c2ccccc2)[nH]c(=O)c1CCC(=O)N1c2ccccc2C[C@@H]1C 26927371 USKXDKUZLWNXDF-HNNXBMFYSA-N 373.456 3.656 0 40 FHAB Cc1ccc(CCC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c(C)c1 58183924 SXRKCWRSUNIQGD-UHFFFAOYSA-N 370.537 3.924 0 40 FHAB Brc1ccc(-c2nnc3sc(-c4ccccn4)nn23)cc1 10311556 WAZDOTXYLFPZSQ-UHFFFAOYSA-N 358.224 3.677 0 40 FHAB Cc1ccc(NC(=O)CCn2nc(-c3cccs3)oc2=O)c(Cl)c1 12774709 JGJRBTTWWUKSIQ-UHFFFAOYSA-N 363.826 3.555 0 40 FHAB O=c1c2[nH]c3ccc(Br)cc3c2ncn1Cc1ccc(F)cc1 2287330 KWDDLQBKQCAWEY-UHFFFAOYSA-N 372.197 3.828 0 40 FHAB Cc1cc(=O)oc2cc(OCC(=O)Nc3cccc4cnccc34)ccc12 7655356 MXRQWTHOCUEDMY-UHFFFAOYSA-N 360.369 3.667 0 40 FHAB Cc1nc2ccccc2c(=O)n1NC(=O)c1cccc(Oc2ccccc2)c1 3425725 ZJZBORNKLHYNKO-UHFFFAOYSA-N 371.396 3.881 0 40 FHAB Cc1cccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2C)c1 3416737 MRSDLQHIAJZZLD-HNNXBMFYSA-N 366.490 3.760 0 40 FHAB COc1cc2c(cc1OC)CN([C@H](C)C(=O)Nc1ccccc1Cl)CC2 8473045 IKWJMQDOHDXJPN-CYBMUJFWSA-N 374.868 3.743 0 40 FHAB COC[C@H](C)NC(=O)CSc1nc2ccccc2n1-c1ccc(C)cc1 6032829 RSKIMDYDLPMTPY-HNNXBMFYSA-N 369.490 3.577 0 40 FHAB Cc1cc(C)n2c(SCc3cc(=O)oc4cc(C)c(C)cc34)nnc2n1 6172174 RVOVGCIHLMVLSN-UHFFFAOYSA-N 366.446 3.757 0 40 FHAB N=c1sc2ccccc2n1CC(=O)N1CCC(Cc2ccccc2)CC1 4395454 GLSYGHXQZWIZFL-UHFFFAOYSA-N 365.502 3.664 0 40 FHAB COCCOC(=O)c1oc2c(c1C)C(=O)C[C@H](c1cccc(Cl)c1)C2 5272279 IRGDMSLZCPUBPP-ZDUSSCGKSA-N 362.809 3.957 0 40 FHAB COc1cc(OC)c(NS(=O)(=O)c2ccc(C)c(C)c2)cc1Cl 6315268 VIEMSZYIMVVVCA-UHFFFAOYSA-N 355.843 3.775 0 40 FHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1cccc2cccnc12 14018759 KKTVLPLTQMCWCV-UHFFFAOYSA-N 362.364 3.995 0 40 FHAB O=C(Nc1ccnn1C[C@@H]1CCOC1)c1cccc(Oc2ccccc2)c1 65554325 IKRPLZMMMHOQTJ-INIZCTEOSA-N 363.417 3.964 0 40 FHAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1n[nH]c(=O)c2ccccc12 25283302 RQPZPEPCSXNAKU-FQEVSTJZSA-N 369.424 3.637 0 40 FHAB Cn1c(CNC(=O)COc2ccccc2-c2ccccc2)nc2ccccc21 8159735 SEUQUHKACRRYJI-UHFFFAOYSA-N 371.440 3.936 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)c1cc(Br)ccc1O 8132457 ABSSMTJVZMVJJE-JTQLQIEISA-N 350.212 3.654 0 40 FHAB COc1ccc(NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1Cl 14245400 XMIVUAALWNJJNZ-LBPRGKRZSA-N 368.861 3.934 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1Cl 6652754 JKNJDLVGALUCLJ-MRXNPFEDSA-N 356.853 3.678 0 40 FHAB C[C@H](OC(=O)CSCc1cc(=O)n2ccsc2n1)C1CCCCC1 66871454 XIVUIFLWKWXNPY-LBPRGKRZSA-N 366.508 3.501 0 40 FHAB O=C(COc1c(Cl)cccc1Cl)NCCc1nc2ccccc2[nH]1 8778725 XLOWGJCFDIZKRN-UHFFFAOYSA-N 364.232 3.607 0 40 FHAB Cc1c(C(=O)N(C)CC(=O)N2CCCC2)oc2c1ccc1ccccc12 9154736 RPQHBRLWXYSXFB-UHFFFAOYSA-N 350.418 3.589 0 40 FHAB CCOC(=O)c1c(CN2CC[C@H](Oc3ccccn3)C2)oc2ccccc12 89984830 FWMJACSDGLTVAI-HNNXBMFYSA-N 366.417 3.658 0 40 FHAB Cc1cccc(OCC(=O)Nc2nn3cc(-c4ccccc4)nc3s2)c1 9749785 CZTDGWQCIMAACD-UHFFFAOYSA-N 364.430 3.784 0 40 FHAB C[C@]1(c2nc(C3CC3)no2)CCCN(Cc2noc(C3CCCC3)n2)C1 75876545 QQPJORCNXKEKHS-IBGZPJMESA-N 357.458 3.541 0 40 FHAB Cc1cc(C(=O)OCc2csc(N(C)C3CC3)n2)c2ccccc2n1 84083425 SUYMCDBEZYBKOZ-UHFFFAOYSA-N 353.447 3.955 0 40 FHAB COc1ccc(/C=C/C(=O)NCCC(=O)Nc2ccccc2C(C)C)cc1 9836635 AJBWSKLSPDGCDM-JLHYYAGUSA-N 366.461 3.977 0 40 FHAB COc1cc(Cl)ccc1C(=O)N1CCN(c2cccc(C)c2C)CC1 72331354 LURHTYGGXXTHAN-UHFFFAOYSA-N 358.869 3.928 0 40 FHAB O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)O[C@H]1CCOC1=O 84335362 SWWMSFSWQVCEDS-GXFZAYBSSA-N 368.229 3.596 0 40 FHAB CCn1cnnc1[C@@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1 95395958 DMMOYHVSHQUPQA-SNVBAGLBSA-N 359.783 3.749 0 40 FHAB CCN(CC)c1ccc(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)cn1 84774491 WJQHSNVZGKWQBD-INIZCTEOSA-N 351.372 3.961 0 40 FHAB CCOc1ccccc1-c1nc(SCc2ccc(C(=O)O)cc2)n[nH]1 408527295 LVCODBICJVDDSX-UHFFFAOYSA-N 355.419 3.861 0 40 FHAB COc1ccc2cc(C(=O)NCCC[C@H]3CCCC[C@H]3O)c(C)nc2c1 89536696 SXHGJNPLIPXKQZ-FOIQADDNSA-N 356.466 3.613 0 40 FHAB CN1CCC(OC(=O)COCCC(c2ccccc2)c2ccccc2)CC1 118679306 PVCYFJUMZHAZOL-UHFFFAOYSA-N 367.489 3.863 0 40 FHAB Cc1ccc(C)c(NC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)c1 409196143 NMXQUUWWSXZJCD-UHFFFAOYSA-N 374.506 3.561 0 40 FHAB COCCn1c(SCC(=O)Nc2ccc(F)cc2Cl)nc(C)c1C 32893887 KSXVEGVBMRPNPT-UHFFFAOYSA-N 371.865 3.670 0 40 FHAB CCc1ccc(OCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 218954545 OHJDUASXTXQUNE-UHFFFAOYSA-N 372.896 3.938 0 40 FHAB CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H]1c1ccccc1C 36620808 BDORKSATTHSAPL-LJQANCHMSA-N 372.490 3.788 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc([S@@](=O)C(F)(F)F)cc1 72307994 OOUCCYONIPGNBR-VWLOTQADSA-N 366.364 3.977 0 40 FHAB CCc1nccn1-c1cccc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 72378864 YIDUCDLSWBZXBM-GOSISDBHSA-N 360.461 3.850 0 40 FHAB O=C(CC1CCCC1)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1 72334955 PSUWLJRHWRUQBU-INIZCTEOSA-N 371.506 3.716 0 40 FHAB COc1ccc(NC(=S)NCCCSCc2ccco2)cc1OC 225593271 NFHCKYZPOWYBJQ-UHFFFAOYSA-N 366.508 3.907 0 40 FHAB COc1ccc(C(=O)Nc2cc(N)ccc2N2CCCCC2)cc1OC 226255273 HLJCVLIINXIGEJ-UHFFFAOYSA-N 355.438 3.529 0 40 FHAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 225015083 IPKPBAFXHUSHCL-NRFANRHFSA-N 368.477 3.882 0 40 FHAB CCOc1cc(-c2nc(-c3ccc(Br)o3)n[nH]2)ccc1OC 85385013 RUQNZDYKKZFSIO-UHFFFAOYSA-N 364.199 3.902 0 40 FHAB S=C(NCc1ccco1)Nc1nc(Cl)cc(N2CCCCCC2)n1 225914030 GIZBXQIZCPJSKE-UHFFFAOYSA-N 365.890 3.590 0 40 FHAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C1CCN(C(=O)C2CC2)CC1 40056834 JZEIHZPBDWXWFK-AWEZNQCLSA-N 354.450 3.601 0 40 FHAB CC(C)(C)c1ccc(C(=O)NCc2nccc(N3CCCCC3)n2)cc1 224158594 BZOHAOOFSMGCMU-UHFFFAOYSA-N 352.482 3.694 0 40 FHAB COc1ccc(NC(=O)N[C@H](CC(C)C)c2nnc3ccccn23)cc1 575443596 XIPLCUAUFLOJOO-MRXNPFEDSA-N 353.426 3.647 0 40 FHAB COc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(OC)nc1)CC(C)(C)O2 225684942 VXKFDDGMGJTUGC-OAHLLOKOSA-N 373.478 3.688 0 40 FHAB C[C@@H](C(=O)N1CCC(c2nc3ccccc3s2)CC1)c1cncnc1 330276234 MPDCRZCWYONULS-CYBMUJFWSA-N 352.463 3.596 0 40 FHAB COc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cc1Cl 243080000 IQEMETVYRGOSBE-UHFFFAOYSA-N 362.234 3.811 0 40 FHAB CC(C)(C)C(=O)N1CC[C@@H](Cc2cccc(-c3cccc(C(=O)O)c3)n2)C1 257256581 KMBZIUAAXLHXLJ-HNNXBMFYSA-N 366.461 3.884 0 40 FHAB O=C(NCc1ccc(-c2nccs2)cc1)Nc1ccc2c(c1)OCO2 85473091 SAWHHQODEBEIIX-UHFFFAOYSA-N 353.403 3.861 0 40 FHAB O=C(Nc1ccc(Cl)cc1Cl)N1CCn2c(CC3CC3)nnc2C1 649932082 DQGGPWVXJHREDF-UHFFFAOYSA-N 366.252 3.585 0 40 FHAB CCCCc1ccc(C(=O)N[C@H](C(=O)NCc2ccco2)C(C)C)cc1 670417800 FVPNZJFMVSOBLC-IBGZPJMESA-N 356.466 3.693 0 40 FHAB CC1=CC(C)(C)N2C(=O)[C@@](O)([C@H]3CCCCCC3=O)c3cc(F)cc1c32 1740816454 HGMPVNYXQMLSRV-YCRPNKLZSA-N 357.425 3.705 0 40 FHAB CCCCCC(=O)CC[C@@H]1C(=O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)O 299888740 VSRXYLYXIXYEST-JHNQTMRUSA-N 352.471 3.683 0 40 FHAB Cc1ccc(CN2CC3(C[C@@H](OCc4cccc(C)n4)CCO3)C2)cc1 585103237 AJBWWCWSUOVSTO-NRFANRHFSA-N 352.478 3.649 0 40 FHAB O=C(CCC[C@H](O)c1ccc(F)cc1)N1[C](c2ccccc2)COC1=O 1560408758 GHHYJWSBSSAJEA-SFHVURJKSA-N 356.373 3.588 0 40 FHAB O=C1NC(=S)N/C1=C/c1cn(Cc2ccccc2Cl)c2ccccc12 5740949 SQKMKCKFTPIHCO-CXUHLZMHSA-N 367.861 3.688 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(OC)cc1 11636998 DLAWSBZBHOZEQN-GOSISDBHSA-N 357.406 3.668 0 40 FHAB CCOCc1nnc(NC(=O)c2cc(C)nc3c(Cl)cccc23)s1 12202215 XXYLTUVUKCRFGE-UHFFFAOYSA-N 362.842 3.837 0 40 FHAB C[C@H]1CCc2sc3ncn4c(-c5ccc6c(c5)OCO6)nnc4c3c2C1 13728125 HLETYXYJRMXFRJ-JTQLQIEISA-N 364.430 3.860 0 40 FHAB CCCCCC(=O)NC(=S)Nc1nc2ccc(NC(C)=O)cc2s1 16637778 LJCZHZRYVUSXQE-UHFFFAOYSA-N 364.496 3.648 0 40 FHAB Cc1ccc(C(=O)CCC(=O)OCc2cc(F)cc3c2OCOC3)s1 16670662 DEHUEMLLNUOSNW-UHFFFAOYSA-N 364.394 3.768 0 40 FHAB Cc1ccc(CC(=O)N2CCC[C@@H]2c2n[nH]cc2-c2onc(C)c2C)cc1 19209497 WCZJXBKEEFECOL-GOSISDBHSA-N 364.449 3.896 0 40 FHAB O[C@@H](CN1CCN(c2ccccc2Cl)CC1)c1c[nH]c2ccc(F)cc12 19349900 DWNZBMSYEMWSOO-FQEVSTJZSA-N 373.859 3.816 0 40 FHAB C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(N[C@H]2CCc3ccccc32)n1 19457461 WVGJZHYLGQQLNP-LRDDRELGSA-N 369.856 3.523 0 40 FHAB Cc1nn([C@H](C)CC(=O)N2CCN(C)C[C@@H]2c2ccccc2)c(C)c1Cl 19577542 UCWFHORWHZZXIU-RDTXWAMCSA-N 374.916 3.620 0 40 FHAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)c2cnccn2)n1 19691495 ZPJZXPZPGDIECE-HXUWFJFHSA-N 362.408 3.963 0 40 FHAB CO[C@H](COc1ccc2c(c1)OC1(CCCCC1)CC2=O)[C@@H]1CCOC1 663962114 KVNPYNFMWHLFTO-FOIQADDNSA-N 360.450 3.785 0 40 FHAB CC(C)c1nc2ccccc2n1C1CN(c2ncc(Br)cn2)C1 1888888204 VCQBWWOXDHVFRJ-UHFFFAOYSA-N 372.270 3.774 0 40 FHAB C[C@H](NC(=O)C1(c2cccc(F)c2)CCC1)c1ccc(-n2cncn2)cc1 26065666 AQJZSGRRQUMYFP-HNNXBMFYSA-N 364.424 3.706 0 40 FHAB CCOc1ccc(Cc2nnc(Nc3cccc(Cl)c3)[nH]c2=O)cc1 5154602 GFXGLGLNNHTGSH-UHFFFAOYSA-N 356.813 3.551 0 40 FHAB O=C(CSc1ccc(-c2ccccn2)nn1)Nc1ccc(F)c(F)c1 6859362 YZCIOABTUYQMNV-UHFFFAOYSA-N 358.373 3.548 0 40 FHAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C)c1C 16994401 GSTPWBOUQXPDAB-UHFFFAOYSA-N 372.490 3.630 0 40 FHAB c1ccc2oc(N3CCC(COc4ccc(C5CC5)nn4)CC3)nc2c1 1775965887 NTMUPXZNOCLKJK-UHFFFAOYSA-N 350.422 3.791 0 40 FHAB Cc1cc(C)cc(OCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 23143535 OHOVBZHBXIDTTN-UHFFFAOYSA-N 373.396 3.680 0 40 FHAB O=S(=O)(NCCc1ccc(-c2ccco2)s1)c1ccc(F)c(F)c1 2086897002 MOUJISRLYWCXQN-UHFFFAOYSA-N 369.414 3.807 0 40 FHAB O=C(CCc1cccc(Cl)c1)NCC1CCN(c2cccnc2)CC1 225655514 LYSCQQIXBNUODP-UHFFFAOYSA-N 357.885 3.700 0 40 FHAB CC(=O)Oc1cc2c(C(=O)NC[C@@H]3CCCO3)c(C)oc2c2ccccc12 937976 OGCAPBOVBMIJQJ-AWEZNQCLSA-N 367.401 3.729 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cc3ccccc3c(=O)s2)cc1 936016 NOFNLWPAVFSPTC-UHFFFAOYSA-N 353.399 3.691 0 40 FHAB O=C(NCc1cccc(C(=O)N2CCCC2)c1)Nc1cccc(Cl)c1 40105482 YVZGELNUBQHSJB-UHFFFAOYSA-N 357.841 3.898 0 40 FHAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2)C1 11001889 CUHDFSMVTGEKPI-RTGRKSDTSA-N 352.409 3.716 0 40 FHAB CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cccc(C)c1 2435569 UZRQEAMYFYSBEY-UHFFFAOYSA-N 372.519 3.990 0 40 FHAB Cc1cc(OCCCC(=O)O[C@@H](C(N)=O)c2ccccc2)ccc1Cl 11457925 LKCFVWYLJLDDND-GOSISDBHSA-N 361.825 3.577 0 40 FHAB Cc1ccc2nc(NC(=O)[C@H]3CCCN3C(=O)c3cccs3)sc2c1 858133 ILXOZNXMNCIJAO-CYBMUJFWSA-N 371.487 3.910 0 40 FHAB CC(C)OC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 1284917 VNFGWUMGCCLTDU-UHFFFAOYSA-N 352.184 3.860 0 40 FHAB Cc1nc2ccccc2c(=O)n1NC(=O)c1sc2ccccc2c1Cl 1505800 QJIGNTNNUOTHTI-UHFFFAOYSA-N 369.833 3.957 0 40 FHAB O=S(=O)(O)[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 1681783 ADTSNJZRJXEBLK-LJQANCHMSA-N 354.427 3.552 0 40 FHAB O=S(=O)(c1ccccc1)N1CCN(Cc2ccccc2)c2ccccc21 1696117 JSQVQEHYVPCXPZ-UHFFFAOYSA-N 364.470 3.902 0 40 FHAB CCCCOC(=O)c1ccc(NC(=O)COc2ccc(OC)cc2)cc1 1750522 RDNXKPSZFSBACE-UHFFFAOYSA-N 357.406 3.670 0 40 FHAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cn(C)c3ccccc23)C1=O 6937285 YUIAPVUZYFTKGE-GFQQVXNGSA-N 372.446 3.556 0 40 FHAB O=C(CCCSc1nc2ccccc2[nH]1)Nc1nc2ccccc2[nH]1 2662463 UIPXZIGZKNPHFX-UHFFFAOYSA-N 351.435 3.950 0 40 FHAB C[C@H](OC(=O)c1cccnc1Oc1ccccc1)C(=O)NC1CCCCC1 32666186 ABJFNCALLRXORW-HNNXBMFYSA-N 368.433 3.868 0 40 FHAB Cc1ccc(OCCNC(=O)COc2cccc(C(F)(F)F)c2)cc1 8237352 RXADEXLAKRDGGK-UHFFFAOYSA-N 353.340 3.588 0 40 FHAB Cn1c(Cc2ccccc2)nnc1SCC(=O)NCCC1=CCCCC1 11975540 BYHAYHOXEZGUDA-UHFFFAOYSA-N 370.522 3.505 0 40 FHAB c1ccc(CSc2nnc(N3CCCCC3)n2Cc2ccco2)nc1 58085073 USKGQQUZPWMDHG-UHFFFAOYSA-N 355.467 3.597 0 40 FHAB O=C(Nc1ccncc1)c1ccn(COc2cccc(Cl)c2Cl)n1 2788028 ZCJOGIBJWLMZBZ-UHFFFAOYSA-N 363.204 3.874 0 40 FHAB O=C1Oc2ccccc2[C@@H]2c3sc(=O)[nH]c3S[C@@H](c3ccccc3)[C@@H]12 102695433 QBSQXDUSRCMDLO-KKUMJFAQSA-N 367.451 3.951 0 40 FHAB COc1ccc(OC)c([C@H]2Nc3nonc3N=C3CC(C)(C)CC(O)=C32)c1 102742078 JKKUQCGAMGBGRT-MRXNPFEDSA-N 370.409 3.958 0 40 FHAB Cc1ccccc1SCC(=O)OCC(=O)N[C@H](C)CCc1ccccc1 2726095 SCKZRDOPBKQZOO-QGZVFWFLSA-N 371.502 3.768 0 40 FHAB CCOC(=O)N1CCc2c(sc3nc(SC)nc(SC)c23)C1 642514 SYHNIZZLAMYFAF-UHFFFAOYSA-N 355.510 3.650 0 40 FHAB CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3ccc4c(c3)OCCO4)c2C1 2803552 RURAOTLHMWJJEW-GFCCVEGCSA-N 356.422 3.849 0 40 FHAB CN(C)[C@H](CNC(=O)CCn1ccc2ccccc21)c1cccc(F)c1 22682761 SEVMMMOAHYTMMR-HXUWFJFHSA-N 353.441 3.590 0 40 FHAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)NCc1ccc(C)c(F)c1 23174654 ZRZFGFGORPUEFW-UHFFFAOYSA-N 358.413 3.637 0 40 FHAB CC(C)c1ccc(Nc2nn(CN3CCOCC3)c(=S)s2)cc1 23641271 IZYSBVVGBRISBX-UHFFFAOYSA-N 350.513 3.831 0 40 FHAB COc1ccc(-c2nn(CN(C)Cc3cccc(OC)c3)c(=S)[nH]2)cc1 24103487 VLLAIJSOLUDASC-UHFFFAOYSA-N 370.478 3.714 0 40 FHAB CCOC(=O)c1ccc(NCC2(c3ccc(F)cc3)CCOCC2)nc1 54981866 PLNDSLIUIXZBPN-UHFFFAOYSA-N 358.413 3.558 0 40 FHAB CC(=O)N(c1ccc(C)cc1)c1nc(CSc2nc(C)n[nH]2)cs1 54916088 FONQVFNZRYPPOE-UHFFFAOYSA-N 359.480 3.855 0 40 FHAB CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(F)cc2)n2ncnc2N1 1291663 QFSFUSKJPNDSTM-KRWDZBQOSA-N 356.401 3.582 0 40 FHAB COc1ccccc1C(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 3239869 HPPUWVIOAVNZTP-UHFFFAOYSA-N 374.392 3.966 0 40 FHAB CCc1nnsc1C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 55647294 SOOAKCSIVZFOGH-ZDUSSCGKSA-N 368.462 3.566 0 40 FHAB C[C@H](N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)N1CCCC1 56153315 MJZSZDOPEMSOLN-SJORKVTESA-N 365.477 3.600 0 40 FHAB COc1ccc(Cl)cc1C(=O)NCc1ccccc1Cn1cccn1 10234709 JLSVMJINJBFYIG-UHFFFAOYSA-N 355.825 3.523 0 40 FHAB CC(C)OCc1cccc(NC(=O)c2csc(-c3cnn(C)c3)n2)c1 58226067 JFISBULCMVNTLR-UHFFFAOYSA-N 356.451 3.721 0 40 FHAB COc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(Cl)cc2F)cc1 12776397 FJQRWDIJSFLRHW-UHFFFAOYSA-N 369.845 3.841 0 40 FHAB C[C@@]1(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)CC1(Cl)Cl 58368766 HEVMOTJYQHPHGY-ZDUSSCGKSA-N 359.234 3.590 0 40 FHAB CC[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccc(Cl)cc1 28505730 RIDZSEYRNJFEES-YOEHRIQHSA-N 360.841 3.549 0 40 FHAB Cc1cccc(NC(=O)N2CCC(C(=O)NC(C3CC3)C3CC3)CC2)c1 48287304 XXEILGBSVXFUEH-UHFFFAOYSA-N 355.482 3.544 0 40 FHAB O=C(Nc1cccc(N2CCOC2=O)c1)c1csc(-c2ccco2)n1 48252894 UHLXKEKNUFXGBD-UHFFFAOYSA-N 355.375 3.612 0 40 FHAB CCCCN(C)c1ncc(Cl)c(C(=O)N2c3ccccc3C[C@@H]2C)n1 48313334 ASLGJSHREDKOFL-ZDUSSCGKSA-N 358.873 3.958 0 40 FHAB CCCOc1ccc(NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc1 408709567 UGJJGIQRIFFAQN-UHFFFAOYSA-N 354.450 3.854 0 40 FHAB CN(C)[C@@H](CNc1cnn(-c2ccccc2)c(=O)c1Cl)c1cccs1 13096423 YUSVSQKKWDYTJS-HNNXBMFYSA-N 374.897 3.662 0 40 FHAB COc1ccc(CCC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 21637711 KSTHJQKASSIPBQ-UHFFFAOYSA-N 366.505 3.930 0 40 FHAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCC(Cc2ccccc2)CC1 7990239 GMGFVLCTJDIPKS-FQEVSTJZSA-N 368.477 3.515 0 40 FHAB COc1cc(NC(=O)c2ccc(F)cc2Br)cc(OC)c1 8060880 RQLZRBSABZEUJC-UHFFFAOYSA-N 354.175 3.858 0 40 FHAB COc1ccc(Cn2nccc2NC(=O)COc2ccc(Cl)cc2)cc1 13691825 XJAQSYWANZEZNB-UHFFFAOYSA-N 371.824 3.611 0 40 FHAB CN(c1ccc(-c2csc(-c3ccsc3)n2)cc1)S(C)(=O)=O 8102788 FBOGRJZZWLQMIC-UHFFFAOYSA-N 350.490 3.934 0 40 FHAB COc1cc(OC)c(N[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1Cl 5120029 ACIDWOGTHYPIRS-JHJVBQTASA-N 354.878 3.662 0 40 FHAB O=C(CSC[C@@H](O)c1ccccc1)N1CCc2[nH]c3ccccc3c2C1 65476469 NCEHARXCMOZWRB-HXUWFJFHSA-N 366.486 3.519 0 40 FHAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc(-n2cncn2)cc1 8232329 VTLRRQXCUDPBNA-UHFFFAOYSA-N 361.449 3.900 0 40 FHAB C[C@@H]1CN(C(=O)c2c(Cl)nc3ccccn23)C[C@@H](c2ccccc2)O1 65529525 ZGAPZPXKVWXSJY-HIFRSBDPSA-N 355.825 3.590 0 40 FHAB C[C@H](NC(=O)CCc1nc2ccccc2s1)c1ccc2c(c1)OCO2 14140459 GBHLEEXVCWVIGD-LBPRGKRZSA-N 354.431 3.835 0 40 FHAB COc1ccc([C@H](CNC(=O)c2ccccc2Cl)N2CCCC2)cc1 14140706 QHAPNGLKGXBEHN-IBGZPJMESA-N 358.869 3.916 0 40 FHAB biogenic Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CC4C[C@H]5CC3C[C@@H](C4)C5)c12 65813774 YXKAJIYAKLZYIU-KWOWKCNFSA-N 364.493 3.805 0 40 FHAB O=c1c2sccc2n(Cc2ccccc2Cl)c(=O)n1Cc1ccco1 6678817 BFHFJOVQGOHRGW-UHFFFAOYSA-N 372.833 3.568 0 40 FHAB O=C([C@@H]1CCCN(Cc2ccc(Br)cc2)C1)N1CCCCC1 4746164 QAWVNVBIWZKJJF-MRXNPFEDSA-N 365.315 3.674 0 40 FHAB Cc1ccc(-c2nc(CC(=O)NCc3ccc4c(c3)OCO4)cs2)cc1 6756316 KOGOSSUMBWAZKH-UHFFFAOYSA-N 366.442 3.706 0 40 FHAB O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@H]1COc2ccccc2O1 6836222 HBQISKIXXNULAI-FQEVSTJZSA-N 359.425 3.852 0 40 FHAB O=C(CO)CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31 61992888 OHRHQPSAEIFRKM-QFIPXVFZSA-N 366.505 3.943 0 40 FHAB biogenic O=C(COc1ccc(Br)cc1)Nc1nc2c(s1)CCCC2 6883422 FXVRTUVPIHSGLV-UHFFFAOYSA-N 367.268 3.802 0 40 FHAB CCCC1(CCC)NC(=O)N(CC(=O)c2cc(C)n(C(C)C)c2C)C1=O 9390167 HUBAORDDIKJVNA-UHFFFAOYSA-N 361.486 3.759 0 40 FHAB Cc1ccccc1N1C(=O)c2ccc(C(=O)N3CCCC[C@@H]3C)cc2C1=O 9377831 JOSSRFYTURGJTE-HNNXBMFYSA-N 362.429 3.810 0 40 FHAB O=C(C(=O)N1CCCCC1)c1c(-c2ccc(F)cc2)cc2ccccn12 408676386 NMTIGJHRFNXEHH-UHFFFAOYSA-N 350.393 3.941 0 40 FHAB O=C(Nc1cccc(O)c1)c1cccc(OCc2cn3ccccc3n2)c1 96991665 YXXCIRWELZYNBV-UHFFFAOYSA-N 359.385 3.871 0 40 FHAB COc1ccc(C)cc1[C@@H](C)NC(=O)NCc1ccc(-c2ccn[nH]2)cc1 78945762 SUTXIBGVMHDLHD-OAHLLOKOSA-N 364.449 3.954 0 40 FHAB O=C(OCc1cc2c(Cl)cccc2[nH]1)c1ccc(N2CCNC2=O)cc1 79017972 LUBMBGHNNVRJHM-UHFFFAOYSA-N 369.808 3.708 0 40 FHAB COc1ccc(-c2c3cnn(C(C)C)c3nc3[nH]c(=O)sc23)c(OC)c1 72402758 AODBFRVSKFNNEW-UHFFFAOYSA-N 370.434 3.599 0 40 FHAB COc1ccccc1CC1CCN(C(=O)CSc2ccccc2O)CC1 95451720 PBMFBSTUXHXBFU-UHFFFAOYSA-N 371.502 3.974 0 40 FHAB CCN1CCC[C@@H]1CN(Cc1cccnc1)Cc1c(OC)cccc1OC 22931729 KYVMNVNFDUKVQJ-LJQANCHMSA-N 369.509 3.585 0 40 FHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cc3cc(Br)ccc3oc2=O)C1 36627545 KULZUIWSGLNPRT-GHMZBOCLSA-N 364.239 3.674 0 40 FHAB O=C(NCCCCN1CCO[C@@H](c2ccccc2)C1)c1cccc(Cl)c1 36700084 VDLGKGOXZBUNQO-HXUWFJFHSA-N 372.896 3.924 0 40 FHAB COc1ccc(CN2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)cc1 72390025 WUOVHUYHIUSPSR-INIZCTEOSA-N 350.422 3.520 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 223150529 XYMXLTYVTSYNLZ-LJQANCHMSA-N 372.896 3.744 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 224707016 DGOPFQYCZDYXJB-IBGZPJMESA-N 366.505 3.871 0 40 FHAB CCc1ccc(N([C@H](C)C(=O)Nc2cccc(C)c2C)S(C)(=O)=O)cc1 220265549 HTFVGDCCSKXTKI-MRXNPFEDSA-N 374.506 3.659 0 40 FHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 223032069 MPMSPISOXUKQSS-OALUTQOASA-N 370.522 3.617 0 40 FHAB CCOc1ccccc1Nc1cc(N)nc(-c2ccc(OC)c(OC)c2)n1 49468216 CEIPODOTLAXPMJ-UHFFFAOYSA-N 366.421 3.885 0 40 FHAB CCOC(=O)c1cnc(-c2cccc(N)c2)nc1Nc1ccccc1F 226103857 PJYLCTJRDSRSLE-UHFFFAOYSA-N 352.369 3.785 0 40 FHAB CC[C@H](NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1)c1ccc(C)cc1 223039366 YJZIGKGHMFYQBA-SFHVURJKSA-N 361.463 3.520 0 40 FHAB S=C(Nc1nc(Oc2ccccc2)cc(N2CCCCC2)n1)NC1CC1 226003213 LYQPAFBTJANGHE-UHFFFAOYSA-N 369.494 3.708 0 40 FHAB Cc1ccc(CNC(=S)Nc2nc(C)cc(N3CCCC[C@@H]3C)n2)cc1 225945988 PEWXZEXUYFEEMA-INIZCTEOSA-N 369.538 3.959 0 40 FHAB CCc1cnc(CNC(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)s1 582653018 PKHBRIQTKXALAY-SFHVURJKSA-N 371.506 3.769 0 40 FHAB Cc1ccc([C@@H]2C[C@@H](C)N(S(=O)(=O)Cc3noc4ccccc34)C2)cc1 330186580 SDJBBVMHUGQDSC-NVXWUHKLSA-N 370.474 3.844 0 40 FHAB Cn1ncc(C(=O)N[C@H]2CCCOc3ccccc32)c1Cc1ccccc1 582394676 NZRHWOXZNZQPRW-IBGZPJMESA-N 361.445 3.655 0 40 FHAB CC(C)[C@H](NC(=O)c1cc(=O)n(C)c2ccccc12)c1nc2ccccc2[nH]1 96232794 XWAHXYHHNGRNHR-FQEVSTJZSA-N 374.444 3.542 0 40 FHAB CO[C@@](C)(C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1)C1CC1 260812530 FJSULGHVPIXIBA-HTAPYJJXSA-N 374.525 3.941 0 40 FHAB C[C@]12COC[C@H]1CN(C(=O)N[C@@H](Cc1ccccc1)c1ccccc1)C2 663470118 JKWQXTQGCRBZJP-URVUXULASA-N 350.462 3.648 0 40 FHAB Brc1ccccc1CN1CCC[C@@H](COc2ncccn2)C1 1775996201 ZZGITAJLJSQXBI-CQSZACIVSA-N 362.271 3.530 0 40 FHAB O=C(NCc1ccc(Oc2ccccc2)nc1)c1ncoc1[C@H]1CCCO1 1318571899 OMRRLSWZEROSEX-MRXNPFEDSA-N 365.389 3.643 0 40 FHAB Cc1nnc(CN(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)o1 585087300 ODEMSRDJRQVRHD-CQSZACIVSA-N 350.422 3.823 0 40 FHAB CC1(C)COC(=O)[C@@H]1OC(=O)CCCOc1cccc(Cl)c1Cl 68598144 QMSZDLAJYKNFCL-AWEZNQCLSA-N 361.221 3.647 0 40 FHAB Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cn2c(C)cccc2n1 65487820 IMRVTSHXXPHZSC-UHFFFAOYSA-N 359.389 3.786 0 40 FHAB O=Cc1c(C(=O)O)c(C(F)(F)F)nc2ccc(OC(F)(F)F)cc12 96171804 OMWCADXZLQWOPD-UHFFFAOYSA-N 353.174 3.663 0 40 FHAB CN1C(=O)[C@H]2C=CC=C[C@@H]2N=C1SCc1ccccc1Br 5525369 MRTQZNOBQLVUNR-JSGCOSHPSA-N 363.280 3.621 0 40 FHAB Cc1cc2c(=O)n(C)c(SCC(=O)Nc3cccc(C)c3C)nc2s1 5017120 QOYLTWLCSYVQLW-UHFFFAOYSA-N 373.503 3.651 0 40 FHAB CC(C)C[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1 11703230 OFVILOWPJLQHCM-GOSISDBHSA-N 360.479 3.575 0 40 FHAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)CCn2cccn2)sc1C 12228072 SFLQZUXOPOCFFI-OAHLLOKOSA-N 360.508 3.508 0 40 FHAB CCS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc21 13610178 VJNRPRIKACMZLQ-UHFFFAOYSA-N 372.490 3.775 0 40 FHAB C[C@@H](OC(=O)c1ccccc1NCc1ccco1)C(=O)NC1CCCCC1 18259838 NADONZPZZSCENY-OAHLLOKOSA-N 370.449 3.886 0 40 FHAB Cc1ccc(CN2CCc3nc([C@@H]4CCCCN4C)ncc3C2)cc1C 19214010 QPNNPQDJJLPFTO-NRFANRHFSA-N 350.510 3.809 0 40 FHAB C[C@@H](Cc1ccccn1)N(C)Cc1c([C@@H]2CCCO2)[nH]c2ncccc12 19456954 XRFUCHNCDXNMCH-KXBFYZLASA-N 350.466 3.872 0 40 FHAB CN1CCCCC[C@@H]2N(C(=O)c3cc[nH]n3)[C@H](Cc3ccccc3)C[C@@]21C 19713483 SCHDENFZXVWZOX-CBQOVEMMSA-N 366.509 3.500 0 40 FHAB Cn1cnc2ccc(NC(=O)c3cc(COc4ccc(F)cc4)on3)cc21 19714673 STJOSUSYKBLMBA-UHFFFAOYSA-N 366.352 3.532 0 40 FHAB COc1cc2c(cc1OC)/C(=C/C(=O)Nc1ccc(C)cc1)NC(C)(C)C2 5363151 FHFMOXHRYJXHQG-PDGQHHTCSA-N 366.461 3.916 0 40 FHAB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(C)o1 6325054 IOPQRVBLBPRSNG-VXLYETTFSA-N 374.238 3.895 0 40 FHAB Cc1ccc(/C=C/c2sc3ccccc3[n+]2CCCS(=O)(=O)O)cc1 6048869 HSRZLECJLLGCBQ-VAWYXSNFSA-O 374.507 3.946 0 40 FHAB Cc1nc2ccccc2c(=O)n1CC1CCN(Cc2ccc(F)cc2)CC1 1888930435 UEEVJJBNMPFJNF-UHFFFAOYSA-N 365.452 3.756 0 40 FHAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 14494807 GHDWBJARKLVWQG-MRXNPFEDSA-N 356.853 3.678 0 40 FHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@H]1CC=CCC1 21355953 NOBKINBOOJBCMY-ZDUSSCGKSA-N 354.372 3.849 0 40 FHAB COc1ccccc1CNC(=O)c1cnc(SC)n1-c1ccc(F)cc1 22006646 BSNQKQCLYFTARS-UHFFFAOYSA-N 371.437 3.672 0 40 FHAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc[nH]c1=S 29300959 OJLBOJKOJDLUKJ-UHFFFAOYSA-N 370.261 3.762 0 40 FHAB Cc1csc(C(=O)N2CCC[C@]3(CCCN(Cc4ccccn4)C3)C2)c1 2056224490 KNFKJNXFYFNBLN-NRFANRHFSA-N 369.534 3.970 0 40 FHAB O=C(CSc1cccc2cccnc12)OCC(=O)c1ccc(F)cc1 1087832 IXBKQOTVFWRPQK-UHFFFAOYSA-N 355.390 3.892 0 40 FHAB CCCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(CC)c1ccccc1O2 8961095 MEDUIBBUEFUKHN-UHFFFAOYSA-N 360.435 3.611 0 40 FHAB Cc1ccc(-n2ccnc(NCCc3ccc(Cl)cc3)c2=O)cc1F 10273160 AJGXGSLMIWNVHX-UHFFFAOYSA-N 357.816 3.988 0 40 FHAB O=C(NCCn1ccn2nc(-c3ccco3)cc12)c1ccc(Cl)s1 206749561 XODUNEMTXAFYAS-UHFFFAOYSA-N 360.826 3.541 0 40 FHAB CC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCCC4)CCC(C)(C)O2 30822690 XNBJSNRJZQHAEM-UHFFFAOYSA-N 356.418 3.743 0 40 FHAB FC(F)(F)c1nc(-c2cccs2)ncc1-c1nnnn1-c1ccccc1 16523898 UWKLYVRJUQQKRN-UHFFFAOYSA-N 374.351 3.867 0 40 FHAB COc1ccc(-c2nnc(-c3cc4cccc(OC)c4oc3=O)o2)cc1 856267 YKBHDEFWNHGHNJ-UHFFFAOYSA-N 350.330 3.527 0 40 FHAB Cc1ccc(F)cc1NC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1 11425775 YRPPWYNDZJCGNE-UHFFFAOYSA-N 361.438 3.859 0 40 FHAB CCN(CC)C(=O)CSc1nnc(-c2ccc3[nH]c(C)c(C)c3c2)o1 1223286 BKXLVFBCMQCHAI-UHFFFAOYSA-N 358.467 3.795 0 40 FHAB CCCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1C(C)C 1364269 VASKJDUBGMYKIL-UHFFFAOYSA-N 353.517 3.616 0 40 FHAB O=C(Cn1ncc2ccccc2c1=O)N[C@@H](c1cccs1)C1CCCC1 31803516 UCOIHZZRJSDCJQ-LJQANCHMSA-N 367.474 3.506 0 40 FHAB O=C(c1ccccc1)N1CCO[C@](O)(c2ccccc2)[C@H]1c1ccccc1 1664733 AKDFQEHQNVGHEX-FYYLOGMGSA-N 359.425 3.746 0 40 FHAB CCCCCCOC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 1703536 PNTULLRYJQGZLT-UHFFFAOYSA-N 368.499 3.990 0 40 FHAB COc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C3(c2ccccc2)c2ccccc2)c1 101000535 VMOOMKDGOZKWPW-NHCUHLMSSA-N 369.420 3.801 0 40 FHAB Cc1cccc(-c2noc(CN3CCC(=O)Nc4cc(F)ccc43)n2)c1 81603578 UBKWRQXABFFYRT-UHFFFAOYSA-N 352.369 3.533 0 40 FHAB COc1cccc(OC)c1C(=O)Nc1c2c(nn1C(C)(C)C)CSC2 3892354 MVKCPXZOQAXMEV-UHFFFAOYSA-N 361.467 3.654 0 40 FHAB C[C@H](O)[C@@]1(O)C[C@@H]2[C@@H]3CC[C@]4(C)C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 4264788 ZOTNOPONJVMHKM-HOKYFANBSA-N 350.543 3.892 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc2ncsc2c1)CC3 20738630 YCGIAHNRUSNYIK-UHFFFAOYSA-N 363.442 3.985 0 40 FHAB biogenic Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCC(C)C)c(C)c1 6362186 YVZOLBUJSUCADD-UHFFFAOYSA-N 374.506 3.798 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H]2CC(O)=Nc3c(-c4ccccc4)cnn32)c1 20732309 PBHJLCUZYBBNGE-SFHVURJKSA-N 374.400 3.924 0 40 FHAB Cc1ccc(-n2c(C)nnc2SCC(=O)N(C(C)C)C(C)C)cc1C 6966747 MKSWYBMVKNNQOF-UHFFFAOYSA-N 360.527 3.930 0 40 FHAB C[C@H](Sc1nncs1)C(=O)NC(c1ccccc1)c1ccccc1 7194796 ABGBLJDRDYUZEX-ZDUSSCGKSA-N 355.488 3.925 0 40 FHAB Cc1cccc(-n2ncc3c2N=C(O)C[C@]32C(=O)N(C)c3ccccc32)c1C 20739110 UELWAXKXQURPFE-JOCHJYFZSA-N 372.428 3.743 0 40 FHAB CCOc1ccc(/C=C(\Sc2nnc(CC)o2)C(=O)O)cc1Cl 7508433 HIIDCMNASRYQDY-WQLSENKSSA-N 354.815 3.902 0 40 FHAB COc1cccc(C(=O)O[C@@H](C)C(=O)Nc2cccc3ccccc23)c1O 21140381 DLAUVFWYAHYLQB-ZDUSSCGKSA-N 365.385 3.738 0 40 FHAB CCCCC(=O)Nc1cc(-c2nn3c(CC)nnc3s2)ccc1OC 10010256 DYHYRXNGMHBROP-UHFFFAOYSA-N 359.455 3.553 0 40 FHAB Nc1nnc(SCCC(=O)NC(c2ccccc2)c2ccccc2)s1 32870995 WIZCQOSKGJCEDU-UHFFFAOYSA-N 370.503 3.508 0 40 FHAB CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2ncn(-c3ccccc3)n2)cc1 22286608 YHRKEDVPENGVBZ-CYBMUJFWSA-N 366.446 3.589 0 40 FHAB C[C@@H](c1cccs1)N(C)C(=O)CCC(=O)c1ccc2c(c1)OCCO2 53313323 LBXDSPVPEMZYLB-ZDUSSCGKSA-N 359.447 3.702 0 40 FHAB CCn1cc(/C=C/C(=O)Nc2c(C)nn(Cc3ccc(F)cc3)c2C)cn1 2770405 AEJWBBOGBORENC-JXMROGBWSA-N 367.428 3.556 0 40 FHAB Nc1nc2n(n1)[C@H](c1ccco1)C[C@@H](c1ccc(Cl)cc1Cl)N2 12469209 VCRPQYJPGYILCZ-RYUDHWBXSA-N 350.209 3.906 0 40 FHAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1cccc2cnccc12 43161303 KZLYMYFZYFVSCO-MRXNPFEDSA-N 363.417 3.929 0 40 FHAB CCOc1ccc([C@H]2CCCN2C(=O)Cc2cn3ccsc3n2)cc1 12548249 OWHPBSLTYLLDTJ-QGZVFWFLSA-N 355.463 3.701 0 40 FHAB CC1CCN(CCCNC(=O)N[C@H]2CCOc3c(Cl)cccc32)CC1 56804938 BBPYNGJZDOUVCO-KRWDZBQOSA-N 365.905 3.585 0 40 FHAB CCCCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)cc1 1786865 RURQHWBRYCDMDD-UHFFFAOYSA-N 370.478 3.951 0 40 FHAB CCN(C(=O)Cn1cnc2c(sc3ccccc32)c1=O)c1ccccc1 57507920 ZBYXMCGSFAZSMO-UHFFFAOYSA-N 363.442 3.664 0 40 FHAB CN(C)[C@H](CNC(=O)Nc1cccnc1Oc1ccccc1)c1ccco1 58014504 SANGQHVSZCYNLX-QGZVFWFLSA-N 366.421 3.891 0 40 FHAB COc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCCC2)cc1 21158509 WRRLYEYJSIVZCQ-UHFFFAOYSA-N 368.458 3.676 0 40 FHAB CCOc1cc(CCC(=O)N[C@@H]2[C@@H]3CCC[C@H]3[C@@H]2c2ccccc2)on1 409412775 BSFMKTVEJCXMPP-SGLNWRHMSA-N 354.450 3.704 0 40 FHAB O=C(CCCc1c[nH]c2ccccc12)N[C@H]1CCN(Cc2ccccc2)C1 8389135 PPGIPWWHYCDEKB-FQEVSTJZSA-N 361.489 3.881 0 40 FHAB CC(C)Oc1ccc(CNC(=O)Nc2ccccc2-n2cccn2)cc1 48152691 ZRNSZYACGWDMKL-UHFFFAOYSA-N 350.422 3.981 0 40 FHAB Cc1ccc(-c2nc(CCNC(=O)[C@@]3(C)CC3(Cl)Cl)co2)cc1 58418836 JDNNEJRBKBEEJX-MRXNPFEDSA-N 353.249 3.893 0 40 FHAB COc1ccc(Cl)cc1NC(=O)CNc1ccc(NC(=O)C2CC2)cc1 10941966 XVWKNWUWNWXFIK-UHFFFAOYSA-N 373.840 3.748 0 40 FHAB O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2CN(Cc3ccsc3)C[C@@H]21 306140210 UNABMRBKHZNBML-MJGOQNOKSA-N 371.483 3.763 0 40 FHAB COc1ccccc1[C@@H](CNC(=S)NC1CCCCC1)N1CCCC1 3351571 FCPHBKZXAGAZGV-GOSISDBHSA-N 361.555 3.629 0 40 FHAB CNc1nc(SCC(=O)N2CCC[C@H]3CCCC[C@H]32)nc2ccccc12 12758679 OKOIKNASJQEYFS-RHSMWYFYSA-N 370.522 3.945 0 40 FHAB Cc1cc(C)cc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)c1 12792435 JNZJTLHBHXSVED-GJZGRUSLSA-N 359.495 3.621 0 40 FHAB COC(=O)CSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C 3477171 VTZJWHQENZJYOL-UHFFFAOYSA-N 374.853 3.556 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)COc1ccc(C)c2c1C(=O)C[C@@H]2C 12917666 ADDAXVYJROAIJB-GJZGRUSLSA-N 367.445 3.950 0 40 FHAB COc1ccccc1[C@@H](CNC(=O)Nc1ccc(F)cc1)N1CCCC1 12977081 PGTZILPOJXBYFY-GOSISDBHSA-N 357.429 3.793 0 40 FHAB CSCC[C@H](NC(=O)Cc1ccc(F)cc1)c1nc2ccccc2[nH]1 12970937 AWERACLBADAISA-KRWDZBQOSA-N 357.454 3.855 0 40 FHAB CCOc1cc2c(c3[nH]c(C(=O)N(C)Cc4cscn4)cc13)O[C@@H](C)C2 69421222 REHKXBUWCYDVHL-NSHDSACASA-N 371.462 3.619 0 40 FHAB CC(=O)Nc1ccc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 4245882 IJYGXTYNXOGQPV-UHFFFAOYSA-N 367.449 3.653 0 40 FHAB Cc1nc(C(=O)OCc2nc3ccccc3s2)nn1-c1ccc(F)cc1 8545938 KLHVYGXBZPQSMT-UHFFFAOYSA-N 368.393 3.682 0 40 FHAB O=C1NC(=S)N/C1=C/c1ccccc1OCc1cccc2ccccc12 5201308 KXKCIYCXBQHQJL-LDADJPATSA-N 360.438 3.764 0 40 FHAB Cc1cccc(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)c1 6376280 VWMOTXZHWWJPBY-UHFFFAOYSA-N 350.418 3.981 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)C(=O)c2ccc(C)cc2)c(OC)c1 65538998 GNZHRCASAMQVPR-GOSISDBHSA-N 353.418 3.559 0 40 FHAB O=C(/C=C/c1cc(F)cc2c1OCOC2)Nc1ccc2c(c1)OCCCO2 14140804 NOAGZQYSAMJNGO-GORDUTHDSA-N 371.364 3.505 0 40 FHAB CCOC(=O)c1cc2c(nc1NC(=S)NCc1ccccc1)CCCC2 8691073 MFTHXNCEXZHZIC-UHFFFAOYSA-N 369.490 3.624 0 40 FHAB O=C(/C=C/c1ccco1)NC(=S)Nc1nc(-c2ccccc2)cs1 4525287 SRFRXUJZUFHMON-CMDGGOBGSA-N 355.444 3.930 0 40 FHAB O=C(Nc1nonc1-c1cccs1)c1ccccc1Br 5484880 FUHMICAGEZUTOK-UHFFFAOYSA-N 350.197 3.813 0 40 FHAB C[C@@H](NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 6559289 OQSNQINSVQPYBE-MRXNPFEDSA-N 352.478 3.981 0 40 FHAB CCc1ccc(NC(=O)[C@H](C)Nc2ccc(N3CCOCC3)cc2)cc1 6567002 MODBCABRIPNMGP-INIZCTEOSA-N 353.466 3.525 0 40 FHAB C[S@](=O)c1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 14422899 MBQNFKIBZXAGPH-RUZDIDTESA-N 357.431 3.718 0 40 FHAB CCC[C@@H](C)c1c(O)nc(Nc2nc(C)c3cccc(C)c3n2)[nH]c1=O 18175804 BHSMAYWFIYHKBS-SNVBAGLBSA-N 353.426 3.683 0 40 FHAB Cc1cccc(-n2c(S[C@H]3CCOC3=O)nnc2-c2ccccc2)c1 8710842 WXNMVUHVDGZXDX-INIZCTEOSA-N 351.431 3.650 0 40 FHAB C[C@@]12C[C@@H](NC(=O)N1c1ccc3c(c1)OCO3)c1cc(Cl)ccc1O2 67240897 LHNBMYAXVXYBSM-FZKQIMNGSA-N 358.781 3.838 0 40 FHAB CC(C)(CNC(=O)N1CC[C@@H](COCc2ccccc2)C1)c1ccncc1 92363892 UGIGNHKMNZCZKI-LJQANCHMSA-N 367.493 3.608 0 40 FHAB CC[C@@H](NC(=O)CSc1nncn1-c1ccccc1)c1ccc(C)cc1 7677574 KCSYKISWEAYBOK-GOSISDBHSA-N 366.490 3.935 0 40 FHAB Cc1nc(-c2ccccc2)nc2sc(C(=O)N3CCCCC3)c(N)c12 27789207 UCYMLDUGVPYZDI-UHFFFAOYSA-N 352.463 3.875 0 40 FHAB CCOC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 9315808 YXVUBZUQFYVFGY-ZDUSSCGKSA-N 370.405 3.517 0 40 FHAB C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)N[C@H](C)c1ccc(F)cc1 9451123 ZVBSJOJUOHGTRW-OLZOCXBDSA-N 370.453 3.969 0 40 FHAB C[C@H]1CN(c2ccc(NC(=O)NCc3ccc(Cl)cc3)cc2)CCO1 97595348 YWGRIUINTDBLTH-AWEZNQCLSA-N 359.857 3.887 0 40 FHAB CC(C)C[C@H]1C[C@H](NC(=O)Nc2ccn(Cc3ccccc3)n2)CCO1 95464580 AUQOXHHUHTXKLZ-MSOLQXFVSA-N 356.470 3.647 0 40 FHAB COc1ccc(-c2n[nH]c(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 64875495 FVGXCAYBZDZWDU-UHFFFAOYSA-N 358.442 3.595 0 40 FHAB Cc1ccc(Cn2c(=O)n(-c3ccccc3C)c(=O)c3sccc32)cc1 67258035 NSRJVZHMAHOGNJ-UHFFFAOYSA-N 362.454 3.879 0 40 FHAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccnc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409101223 SCWOWPMWTRLJEG-XNJGSVPQSA-N 369.387 3.607 0 40 FHAB CN1c2ccccc2C(=O)N[C@H]1c1cnn(-c2ccc(C(F)(F)F)cc2)c1 504688324 XZOXHFBBBZOUDZ-QGZVFWFLSA-N 372.350 3.770 0 40 FHAB COc1ccc(CNCC(=O)NC(c2ccccc2)c2ccccc2)cc1 35311550 YCZNHJSWGNMFBV-UHFFFAOYSA-N 360.457 3.691 0 40 FHAB Cc1ccc(C(=O)NCCN(C(C)C)C(C)C)cc1NC(=O)c1ccco1 32989068 HLAPCWSNJKUZJU-UHFFFAOYSA-N 371.481 3.689 0 40 FHAB Cc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4ccccn4)C3)n2)c1 72362269 SUJSVGKNAIXOQC-QGZVFWFLSA-N 374.444 3.992 0 40 FHAB CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(F)cc1 71980415 SXOIZDMNIPAXCJ-FXUPRZHBSA-N 363.429 3.684 0 40 FHAB Cc1ccc(C)c(NC(=O)C[C@@H]2C(=O)N(C3CC3)c3nc4ccccc4n32)c1 39964142 MCGPUUFNCIDZEC-LJQANCHMSA-N 374.444 3.732 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38849452 BFTNUOSSJSOJIG-QGZVFWFLSA-N 356.441 3.993 0 40 FHAB Cc1cc(Nc2ccccn2)nc([C@H]2CCN(C(=O)c3ccccc3)C2)n1 72382436 WETZQEYQZYSGRC-KRWDZBQOSA-N 359.433 3.553 0 40 FHAB C[C@@H](NC(=O)Cc1nsc2ccccc12)[C@H]1OCCc2sccc21 563001393 DKRNGMYMXWFTTN-ADLMAVQZSA-N 358.488 3.719 0 40 FHAB CCCOC1(C(=O)Nc2ccc(OC)c(C(=O)OC)c2)CCC(C)CC1 225856281 GWYHGIOXAFTOFG-UHFFFAOYSA-N 363.454 3.796 0 40 FHAB COc1cccnc1NC(=S)NCCCSCc1ccc(F)cc1 225616861 HGKCZPXFJHKFMS-UHFFFAOYSA-N 365.499 3.839 0 40 FHAB C[C@@H]1CCCN(CCCNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)C1 222842090 GCDMCKIQVSPBQN-QZTJIDSGSA-N 358.526 3.571 0 40 FHAB CCc1ccc(OCCNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 223980315 RQEDCEDKRHOHAI-UHFFFAOYSA-N 374.289 3.913 0 40 FHAB CC1(C)CC[C@@H](NC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c2ccccc21 521757383 SYRCSIFVEOQXSB-GOSISDBHSA-N 365.477 3.793 0 40 FHAB O=C(Cc1cccc(Br)c1)NCCSCc1ccco1 225614223 FQFXMKCZDRFADC-UHFFFAOYSA-N 354.269 3.634 0 40 FHAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(C)c1C)c1ccc(OC)cc1 225676594 AAWRXGWMVZXPTL-KRWDZBQOSA-N 363.479 3.750 0 40 FHAB O=C(NC1CCc2ccccc2CC1)N[C@H]1CCCO[C@@H]1c1ccncc1 570609491 JZHNMKMBOGXGBR-LEWJYISDSA-N 365.477 3.549 0 40 FHAB COc1ccc(S(=O)(=O)NCc2cccc(OC(C)C)c2)c(C)c1C 225001936 OTNKANYWBATSIT-UHFFFAOYSA-N 363.479 3.578 0 40 FHAB O=C(Cn1ccc(=O)c2ccc(Cl)cc21)NCc1ccccc1Cl 225732619 NRFFGIATQYWLHX-UHFFFAOYSA-N 361.228 3.625 0 40 FHAB O=C(COc1cccn2c(C(=O)c3ccccc3)cnc12)c1ccccc1 575332164 LBDWXCJJSTXIBW-UHFFFAOYSA-N 356.381 3.827 0 40 FHAB COC(=O)c1cccc(NC(=S)NC2(c3ccncc3)CCCC2)c1 225862872 LIGYNEXNFPPWDW-UHFFFAOYSA-N 355.463 3.624 0 40 FHAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 225004550 GHVFBLCCOVTAMJ-FQEVSTJZSA-N 354.450 3.628 0 40 FHAB CCCCC[C@@](C)(OCC)C(=O)Nc1cnc(OCCOC)c(C)c1 225897979 ZUJIHHJQDYKAGZ-LJQANCHMSA-N 352.475 3.729 0 40 FHAB CCCOc1ccc(NC(=O)[C@@](C)(CC)OCC)cc1C(=O)OCC 225816702 KZEKKQGPDDRKJZ-LJQANCHMSA-N 351.443 3.796 0 40 FHAB O=C(NCc1nnc(-c2ccccc2)s1)[C@@H]1CCCCN1C1CCCC1 333001739 AZAMJMJWVOWDAG-KRWDZBQOSA-N 370.522 3.618 0 40 FHAB COc1cccc(-c2ccc3ccc(-n4ccc(C(=O)N(C)C)n4)n3c2)c1 96155454 CNIPEWSIVJOUES-UHFFFAOYSA-N 360.417 3.502 0 40 FHAB Cc1cccc(NC(=O)N2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)c1 96239240 MAPDLFIQJAUOMM-LJQANCHMSA-N 355.463 3.717 0 40 FHAB CCn1cc(C(=O)N2CCC(C)(c3ncc(Cl)s3)CC2)c(C)n1 257329148 XISOFAXVQVQULR-UHFFFAOYSA-N 352.891 3.515 0 40 FHAB Cc1nc(-c2ccnn2C(C)C)cc([C@@H]2CCCN2C(=O)C(C)(C)C)n1 257248299 JDAMWIAKFUNZKB-KRWDZBQOSA-N 355.486 3.939 0 40 FHAB CC(C)(C)C(=O)NC[C@H]1CC[C@H](c2ncncc2-c2ccncc2)CC1 257261629 LIEFSNZVTDSGGA-JCNLHEQBSA-N 352.482 3.975 0 40 FHAB Cc1nc(-c2ccc(C(=O)O)cc2)cc([C@H]2CCN(C(=O)C(C)(C)C)C2)n1 257219813 DIGKQDURGIUQBQ-INIZCTEOSA-N 367.449 3.512 0 40 FHAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC(C)(C)C)CC1 257300406 RUDPRGHXIJXQQJ-ZWOKBUDYSA-N 359.514 3.618 0 40 FHAB CCc1nnc(-c2ccc(NC(=O)NC[C@@H]3CCN(C(C)(C)C)C3)cc2)o1 666237994 PNXNVRSSPKRCPK-AWEZNQCLSA-N 371.485 3.541 0 40 FHAB O=C1NCCN1c1cccc(C(=O)N2CCC[C@H]2C[C@H]2C[C@H]3CC[C@H]2C3)c1 1251523765 XEGHYBHRKSKRSG-DKKFBQAASA-N 367.493 3.647 0 40 FHAB C=CC(=O)Nc1cccc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)C2)c1 1159567630 ZXFIRAZIEBHFBB-SFHVURJKSA-N 370.836 3.758 0 40 FHAB COc1ccc(CNC(=O)/C=C/c2cc(Cl)c3c(c2)OCCCO3)cc1 8060855 ZOCJVYFPLBCJTQ-VMPITWQZSA-N 373.836 3.840 0 40 FHAB O=C(OCC(=O)N1CCCCC1)c1cc2c(s1)-c1ccccc1CC2 5304221 REXPAPPRMPBUQV-UHFFFAOYSA-N 355.459 3.683 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(C(=O)O)cc1 13092443 GXCKCGNMNIHPBY-SNVBAGLBSA-N 368.216 3.775 0 40 FHAB O=C(CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)Nc1ccc(F)cc1 15049406 MVKHVLPJNYTERE-DHDCSXOGSA-N 374.368 3.640 0 40 FHAB Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCCCn3cccn3)c2c1 19719133 KCLIAZXIGYRYNT-UHFFFAOYSA-N 371.444 3.622 0 40 FHAB Cn1cc(-c2ccc(CCNC(=O)c3c(F)cccc3Cl)cc2)cn1 1889257065 MZPIXLKQLOVLKV-UHFFFAOYSA-N 357.816 3.852 0 40 FHAB Cc1ccc(NC(=O)CSc2ccc(-c3ccncc3)nn2)cc1F 4392075 XJVNBAIKUPCMLP-UHFFFAOYSA-N 354.410 3.717 0 40 FHAB O=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1ccccc1 4374637 QIXBSQBZHDGAMZ-UHFFFAOYSA-N 366.421 3.569 0 40 FHAB CCOc1ccc(N2C[C@@H](NC(=O)Nc3ccccc3CC)CC2=O)cc1 4373682 AZCBBFMZEBGIRZ-INIZCTEOSA-N 367.449 3.575 0 40 FHAB COc1ccc(C(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1 4375357 GTSBKKLNARPCFC-UHFFFAOYSA-N 356.422 3.930 0 40 FHAB Cc1ccccc1CNC(=O)c1nnn(-c2ccccc2)c1-c1ccncc1 48987378 FRESHBNGFQHKME-UHFFFAOYSA-N 369.428 3.568 0 40 FHAB O=C(NCc1cccc2ccccc12)NC[C@@H](c1ccco1)n1cccn1 575612934 DPGMQVZMBXQNES-IBGZPJMESA-N 360.417 3.718 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 40039819 KIZCUYPEPGJKAH-ZIAGYGMSSA-N 373.371 3.514 0 40 FHAB Cc1cccc2c1N(C(=O)C1CCN(C(=O)c3cccs3)CC1)CCC2 40023496 WHKIVXRVKPSCIQ-UHFFFAOYSA-N 368.502 3.888 0 40 FHAB CCCn1c(=O)n(CCC(=O)N(C)c2c(F)cccc2F)c2ccccc21 40157903 UKOKLKFWOLXXJC-UHFFFAOYSA-N 373.403 3.544 0 40 FHAB Cc1oc(-c2ccccc2)nc1CN(C)CC(=O)Nc1ccc(F)cc1 11051460 MFRBBVNBYMTYOH-UHFFFAOYSA-N 353.397 3.860 0 40 FHAB O=C(Nc1cccc(Cn2cccn2)c1)Nc1cccc(Cn2cccn2)c1 31664388 CVWGEEPTIXFECK-UHFFFAOYSA-N 372.432 3.820 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccn(Cc3cccc(Cl)c3)n2)cc1 2792547 OYNXJNMTCZEQLS-UHFFFAOYSA-N 361.854 3.694 0 40 FHAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 3534312 GARUDHNNYZHBEH-UHFFFAOYSA-N 361.463 3.649 0 40 FHAB CN1C(=O)C[C@H](C(=O)Nc2ccccc2Br)[C@@H]1c1ccccc1 20736919 FKSZVNCDGMBMRK-GUYCJALGSA-N 373.250 3.607 0 40 FHAB Cc1c(-c2nnc(Cc3ccccc3)o2)nnn1-c1cccc(Cl)c1 20726603 CVKZBGXALGRTNV-UHFFFAOYSA-N 351.797 3.870 0 40 FHAB O=C(CCCc1c[nH]c2ccccc12)OCC(=O)c1ccc2c(c1)OCO2 6376022 SRVCDVXNRSVYNC-UHFFFAOYSA-N 365.385 3.645 0 40 FHAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)NCCc1ccccc1 7980047 MUPNGHFLHKUUHA-UHFFFAOYSA-N 359.425 3.655 0 40 FHAB O=S(=O)(CCN1CC=C(c2ccccc2)CC1)c1ccc(Cl)cc1 32652520 AKVZAIGQLFUJOR-UHFFFAOYSA-N 361.894 3.903 0 40 FHAB c1ccc(-n2nnnc2CSCc2coc(-c3cccs3)n2)cc1 32772134 CAKZLOYWTJPLQC-UHFFFAOYSA-N 355.448 3.812 0 40 FHAB COc1ccc([C@@H]2Nc3nonc3N=C3CC(C)(C)CC(O)=C32)cc1O 102748983 KQVDDZWGOYJLSJ-HNNXBMFYSA-N 356.382 3.655 0 40 FHAB C[C@H](Nc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccc(F)cc1 22342996 VUASJWZTNUIICN-AWEZNQCLSA-N 363.458 3.568 0 40 FHAB CC(=O)Oc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 781716 ROMRPUPFOFAUQN-UHFFFAOYSA-N 364.357 3.710 0 40 FHAB O=C(O)C1=C[C@H](c2ccccc2Cl)n2nc(-c3ccccc3)nc2N1 102335831 LFTBIHGQYOMXQY-OAHLLOKOSA-N 352.781 3.582 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccc(=O)n(C)n1)c1ccc(C2CCCCC2)cc1 23183068 PJDNXWBPWZIUAD-OAQYLSRUSA-N 367.493 3.955 0 40 FHAB CCOc1cccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)c1 936563 PUTKOHLUQYCUPM-UHFFFAOYSA-N 370.836 3.559 0 40 FHAB O=S(=O)(c1ccccc1Br)N(Cc1ccccc1)C1CC1 24443527 VQZHFOCHINCZII-UHFFFAOYSA-N 366.280 3.802 0 40 FHAB CCC(=O)N(c1nnc(SCc2cn3cc(C)ccc3n2)s1)C1CC1 12507263 VMRWNFCMRBYZPE-UHFFFAOYSA-N 373.507 3.692 0 40 FHAB C[C@@H]1CCCCN1C(=O)c1ccn(COc2cccc(C(F)(F)F)c2)n1 27973143 YLCNJMCURBEKBO-CYBMUJFWSA-N 367.371 3.953 0 40 FHAB O=C(Nc1cccc(-n2cnnc2)c1)c1cc(-c2ccccc2Cl)[nH]n1 25211706 ABPQUJUMSWRXLT-UHFFFAOYSA-N 364.796 3.563 0 40 FHAB C[C@@H](NC(=O)CCc1nc(-c2ccsc2)no1)c1ccc(F)cc1F 21598840 SKMDXOUPHVKROX-SNVBAGLBSA-N 363.389 3.886 0 40 FHAB COc1ccc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)cn1 12588786 NFJOJKDLMBSQPL-UHFFFAOYSA-N 371.396 3.831 0 40 FHAB C[C@@H]1CCCN(CC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)C1 107326262 UVCFBZNFCJHWOD-XLIONFOSSA-N 350.462 3.885 0 40 FHAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)COc1cccc(C)c1C 20143998 YQWIOUWOQUHHHG-UHFFFAOYSA-N 363.797 3.681 0 40 FHAB O=C(COC(=O)Cc1ccc(F)cc1)Nc1c(Cl)cccc1Cl 3235535 LZPZLWUWRSUZBE-UHFFFAOYSA-N 356.180 3.857 0 40 FHAB CCOC(=O)[C@@H]1CCCN(c2ncnc3sc4c(c23)CC[C@H](C)C4)C1 3255104 WZEIXFQTJKDHNP-QWHCGFSZSA-N 359.495 3.596 0 40 FHAB CCOC(=O)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCCCCC2 2081845 PVFMLMPJVNZFDG-CYBMUJFWSA-N 351.468 3.701 0 40 FHAB CN(C)c1cccc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)c1 3295914 UFMMQYHNPBZKSE-UHFFFAOYSA-N 368.477 3.737 0 40 FHAB O=C(Nc1ccc2sccc2c1)c1ccc(N2C(=O)CCC2=O)cc1 3276685 QXSLTLLBYGNFGD-UHFFFAOYSA-N 350.399 3.807 0 40 FHAB CCc1c(-c2csc(CC(=O)NCc3ccco3)n2)[nH]c(C)c1C(C)=O 58158527 LFTUDGFLPJWORT-UHFFFAOYSA-N 371.462 3.664 0 40 FHAB Fc1ccc(-c2nc(COn3nnc4ccc(Cl)cc43)cs2)cc1 58407355 MHAIDXWMEFVLRB-UHFFFAOYSA-N 360.801 3.976 0 40 FHAB CCN(CC)C(=O)c1ccc(NC(=O)CCc2ccc(OC)cc2)cc1 3324363 CLMORAIWVQTTRS-UHFFFAOYSA-N 354.450 3.749 0 40 FHAB O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@@H]2CC=CCC2)CC1 48331521 CRDYXNSFDYCFRG-CYBMUJFWSA-N 367.276 3.634 0 40 FHAB Cc1ccc(NC(=O)C2CC2)cc1NS(=O)(=O)c1ccc(Cl)s1 48354260 BKTHVFUVPIVLPA-UHFFFAOYSA-N 370.883 3.859 0 40 FHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1ccc(Cl)cc1 12887947 HSYZVWINHHAVKW-AWEZNQCLSA-N 354.841 3.683 0 40 FHAB Cc1cc(C)c(NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)c(C)c1 3463529 QNEGOAMTRAPMND-UHFFFAOYSA-N 371.481 3.585 0 40 FHAB CSc1ncccc1C(=O)OCc1cc(=O)oc2c(C)c(C)ccc12 3429768 JYNNEMXYOUGBOK-UHFFFAOYSA-N 355.415 3.884 0 40 FHAB Cc1nn(CC(C)C)c(C)c1CCC(=O)NCCc1c[nH]c2ccccc12 12923058 QQXGSLQBPXKPTC-UHFFFAOYSA-N 366.509 3.929 0 40 FHAB O=C(Nc1ccccc1C(=O)NCCc1cccs1)c1ccccc1 12914345 GMCIHAVCFNMSBE-UHFFFAOYSA-N 350.443 3.973 0 40 FHAB O=S(=O)(NCc1ccccc1F)c1ccc(Cl)cc1C(F)(F)F 3504509 WKQXWPYRKTZLRK-UHFFFAOYSA-N 367.751 3.976 0 40 FHAB Cc1c(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)oc2c1C(=O)CCC2 49574290 NIQBRYLSJMHKOG-UHFFFAOYSA-N 351.358 3.774 0 40 FHAB Cc1ccc(-n2nnnc2SCC(=O)c2cc(C)ccc2C)c(C)c1 6233570 QREMFGFROYTIFZ-UHFFFAOYSA-N 352.463 3.871 0 40 FHAB COCc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 14166695 RYEIAORLPYNXRY-UHFFFAOYSA-N 368.414 3.938 0 40 FHAB O=C(c1ccc2c(=O)n3c(nc2c1)CCCCCC3)N1CCCCCC1 14135184 YPQREDWKASBONM-UHFFFAOYSA-N 353.466 3.529 0 40 FHAB CCOCCCNc1ncnc2c1oc1nc(C)c3c(c12)CC(C)(C)OC3 8654063 NEOFZAIFMMZIRN-UHFFFAOYSA-N 370.453 3.769 0 40 FHAB CN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(F)cc3)=NN12 4812069 VSQZJZUERLPDDV-LJQANCHMSA-N 351.425 3.791 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CC(C)(C)C 5863442 CKUVIODCSUUEBT-UHFFFAOYSA-N 352.500 3.544 0 40 FHAB Cc1ccc(Nc2nn[nH]c2C(=O)NCc2ccc(Cl)cc2)cc1C 67283941 MJDARLWAPGTLPX-UHFFFAOYSA-N 355.829 3.749 0 40 FHAB CCOC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccccc1 7428316 OBVAPOIQESOYPK-UHFFFAOYSA-N 361.444 3.879 0 40 FHAB O=C(CNC(=O)C1CCCCC1)Nc1ccc(OCc2ccccc2)cc1 7736696 WQQXKMNXZCPDET-UHFFFAOYSA-N 366.461 3.901 0 40 FHAB O=C(CCCc1nc2ccccc2s1)Nc1nnc([C@@H]2CCCO2)s1 71283641 FUSXSIBSYGUHMP-LBPRGKRZSA-N 374.491 3.961 0 40 FHAB Cc1ccc(NC(=O)CSCCC(=O)Nc2nc3ccccc3[nH]2)cc1 9338046 KEZSIWUYZWSNKL-UHFFFAOYSA-N 368.462 3.572 0 40 FHAB Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc(NC[C@H]3CCCO3)nc2C1 9575422 MSZXKCNVXIPWOV-JKSUJKDBSA-N 351.450 3.597 0 40 FHAB Clc1ccccc1OCCn1c(CN2CCOCC2)nc2ccccc21 19939682 BVCXSPYDLKLJDT-UHFFFAOYSA-N 371.868 3.601 0 40 FHAB CNC(=S)N1N=C(c2cccc(C)c2)C[C@H]1c1ccc2nccnc2c1 75109553 YXTOKODSTNDDTN-IBGZPJMESA-N 361.474 3.594 0 40 FHAB Cc1c(NS(=O)(=O)C[C@@H](C)c2ccccc2)cnn1-c1ccccc1 89645330 PHEUGDCVFDBUMM-OAHLLOKOSA-N 355.463 3.726 0 40 FHAB CC(C)n1nc(CC(=O)Nc2cccc3[nH]ccc23)c2ccccc2c1=O 79488843 AHIFMMVBQSRCBA-UHFFFAOYSA-N 360.417 3.640 0 40 FHAB Cc1ccc(SC2(C(=O)NCc3n[nH]c(=S)n3C)CCCC2)cc1 79542712 LJFYHOUPCLELIK-UHFFFAOYSA-N 362.524 3.507 0 40 FHAB CCCCOc1ccc(NC(=O)C(=O)NCc2cccc(Cl)c2)cc1 408707814 FGGMHAQGSLNHEF-UHFFFAOYSA-N 360.841 3.774 0 40 FHAB Cc1ccc(C(=O)NC2CCN(C(=O)Nc3ccccc3C)CC2)cc1 35311801 ABAUYBDIKTVARG-UHFFFAOYSA-N 351.450 3.730 0 40 FHAB Cc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c(C)c1 216404586 XWHGWIPSETWQEX-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB CCCCN(C)S(=O)(=O)c1ccc(NC(=O)NC2CCCCC2)cc1 33040316 KBVUPALKGMCDRZ-UHFFFAOYSA-N 367.515 3.561 0 40 FHAB COc1ccc(NC(=O)COc2c(C)cc(Cl)cc2Cl)c(N)c1 70462914 SNPONZTVKHKUNA-UHFFFAOYSA-N 355.221 3.910 0 40 FHAB Cc1cccnc1Nc1cccc([C@@H]2CCCN(Cc3cnn(C)c3)C2)n1 72376051 QWHNHQIQSUUXAV-GOSISDBHSA-N 362.481 3.642 0 40 FHAB COc1cccc(-c2noc(CCC(=O)NCc3ccccc3Cl)n2)c1 41185254 MVRMZHDEYKROGX-UHFFFAOYSA-N 371.824 3.648 0 40 FHAB COc1ccccc1CC(=O)NCc1ccccc1CN1CCCC[C@H]1C 40107141 OIQDRHMAHCTPNW-GOSISDBHSA-N 366.505 3.929 0 40 FHAB Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1N(C)S(C)(=O)=O 222454071 JRNBITZRYMQSDV-UHFFFAOYSA-N 360.479 3.767 0 40 FHAB O=C(CCNC(=O)c1ccc2nc(Cl)sc2c1)Nc1ccccc1 225978895 RZYDGEUSWZEJCD-UHFFFAOYSA-N 359.838 3.708 0 40 FHAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCN(C)c1ccccc1 223129317 MAYUWBGZARFJNJ-QFIPXVFZSA-N 366.505 3.975 0 40 FHAB COc1cc(C)c([C@@H](C)NS(=O)(=O)c2c(C)noc2C)cc1C(C)C 223382528 KMTYLMZDBXDUBD-GFCCVEGCSA-N 366.483 3.771 0 40 FHAB O=C(NC[C@@H]1CCOC2(CCC2)C1)Nc1ccc(N2CCCCC2)nc1 333828623 LDWCJEBFNARIDZ-MRXNPFEDSA-N 358.486 3.543 0 40 FHAB CCS(=O)(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 225964350 KASDMIBSJVVWQN-GFCCVEGCSA-N 366.870 3.593 0 40 FHAB CCc1cccc(NC(=O)N2Cc3c(CN4CCCCC4)nn(C)c3C2)c1 96259138 SUPWRCHQFOIAQB-UHFFFAOYSA-N 367.497 3.516 0 40 FHAB COc1ccc(CN2CCCC[C@@H]2c2nnc(-c3cnc(C)cn3)o2)cc1 257203561 AQQYRRJELFQWRW-GOSISDBHSA-N 365.437 3.571 0 40 FHAB C[C@H](O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@]4(C)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 253617542 UUNZVNLAFCAUHR-AJPWFJCESA-N 350.543 3.892 0 40 FHAB COc1cccc2c1OC[C@H](C(=O)N1CCC(C)=C(c3ccco3)C1)C2 585080040 FVAGGOOVJWEUFF-MRXNPFEDSA-N 353.418 3.545 0 40 FHAB O=S(=O)(c1ccccc1)C1(c2nc([C@@H]3C[C@H]3c3ccccc3)no2)CC1 669855406 SLQMSQXYRYPJCJ-DLBZAZTESA-N 366.442 3.804 0 40 FHAB COc1ccccc1NC(=O)C1CCN(CCO[C@H]2CCCC[C@@H]2C)CC1 52641792 ZPSNMRGEGSYDPO-PXNSSMCTSA-N 374.525 3.941 0 40 FHAB Cc1cc(CNC(=O)NCCOc2ccccc2-c2ccccc2)no1 58214912 NCZXLQWNRQCKPN-UHFFFAOYSA-N 351.406 3.528 0 40 FHAB COc1ccc(-c2nc3c(c(SCCN(C)C)n2)COC(C)(C)C3)cc1 5205866 JSJQWKAAPSTZGX-UHFFFAOYSA-N 373.522 3.657 0 40 FHAB Cn1c(-n2ncc(Nc3ccccc3)c(Cl)c2=O)nc2ccccc21 5451780 JTNQWTIXJRZFKI-UHFFFAOYSA-N 351.797 3.516 0 40 FHAB Cc1nnc(SCC(=O)c2ccc3c(c2)OCCO3)n1C1CCCCC1 5865413 BBTVTRYVRVQZLM-UHFFFAOYSA-N 373.478 3.838 0 40 FHAB COc1ccc([C@H](NC(=O)CCC2CCCC2)c2nccn2C)cc1OC 12114948 XIRBHGKVXNDDOM-FQEVSTJZSA-N 371.481 3.613 0 40 FHAB COc1ccc2c(CN3CCC(O)(c4ccccc4OC)CC3)c[nH]c2c1 12328827 WRUUXGAFTSLVGO-UHFFFAOYSA-N 366.461 3.669 0 40 FHAB O=C(Nc1ccccc1Cl)C1CCN(C(=O)c2ccc(F)cc2)CC1 14373065 LBKMBMSWLXWPDL-UHFFFAOYSA-N 360.816 3.970 0 40 FHAB Cc1ccc2nc(N[C@H](C)C34CC5CC(CC(C5)C3)C4)c3nnnn3c2c1 16348296 QXIUKFQQYNBAIO-BUBBNXEVSA-N 362.481 3.998 0 40 FHAB Cc1ccc(OCC(=O)NCC2(c3ccc(C)cc3)CCOCC2)cc1 16971142 MSZMKBSFCLWVQF-UHFFFAOYSA-N 353.462 3.547 0 40 FHAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc(-c2ccccc2Cl)no1 19716807 DUWRJUZLCGVZQA-LLVKDONJSA-N 372.856 3.706 0 40 FHAB CC(C)n1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc21 7495254 OCKFOLFMCVWDSR-GZTJUZNOSA-N 365.433 3.627 0 40 FHAB Cc1cc(C)c(OCC(=O)n2nnc3cc(C)ccc32)c(Br)c1 226359742 BABDLKGDYYBXEJ-UHFFFAOYSA-N 374.238 3.838 0 40 FHAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CCCCC2)[C@@H]1CNC(=O)c1ccc(F)cc1 1775964351 ILFZGIPRRKAEFE-VVHHDAOASA-N 372.484 3.761 0 40 FHAB biogenic,in-vitro CC(C)(C)N1C(=O)OC2(CCN(c3ncc(Cl)cc3Cl)CC2)C1=O 2087044641 GOUQHWSIZXIQSI-UHFFFAOYSA-N 372.252 3.505 0 40 FHAB CCc1ccccc1NC(=O)c1cccn(Cc2ccccc2F)c1=O 5270332 VGFJIVCEXLXYFN-UHFFFAOYSA-N 350.393 3.850 0 40 FHAB Cc1ccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)c(C)c1 5388457 OYNFYHJHUSLCPX-UHFFFAOYSA-N 367.836 3.819 0 40 FHAB COc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(Cc2ccccc2)c1 7573765 HTOLHRDUNCRNLT-UHFFFAOYSA-N 368.820 3.811 0 40 FHAB COc1cccc(CN2CCc3c(CN4CCCC4)nn(C(C)C)c3C2)c1 2055718393 SDCUAKKGIVHWIO-UHFFFAOYSA-N 368.525 3.627 0 40 FHAB C[C@@H]1C[C@@H](C)CN(C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2)C1 6455357 FOXKGUAZRBDKEL-GGPKGHCWSA-N 363.542 3.718 0 40 FHAB Cc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1Cc1ccccc1 3411514 BEMNUKMVZQIFBO-HNNXBMFYSA-N 366.490 3.604 0 40 FHAB COc1ccc(-c2noc(-c3c[nH]c4ccc(C)cc4c3=O)n2)cc1OC 20736858 DMYKABVHKHGYTD-UHFFFAOYSA-N 363.373 3.571 0 40 FHAB Cc1nc2ccc(C(=O)Nc3cc4c(cc3Cl)OCCO4)cc2nc1C 40017397 CWVJTRHILHSVEM-UHFFFAOYSA-N 369.808 3.924 0 40 FHAB O=C(NCc1ccc2c(c1)OCO2)[C@H](Oc1ccccc1)c1ccccc1 40128052 BVPOIMJTGINEFJ-OAQYLSRUSA-N 361.397 3.852 0 40 FHAB CC[C@]1(C)Cc2c(sc3nc(SC)nc(NCCN(C)C)c23)CO1 2414056 XWAXCWGQTKUVOV-QGZVFWFLSA-N 366.556 3.628 0 40 FHAB Cc1ccc(CN(C)C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)o1 36674670 PJWPHLCEJMNHMQ-UHFFFAOYSA-N 353.397 3.674 0 40 FHAB C[C@@H](NC(=O)c1ccc(Br)o1)c1ccc(-n2ccnc2)cc1 8012808 UGRWJXPOPPJYSA-LLVKDONJSA-N 360.211 3.719 0 40 FHAB CCCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccco1 1364395 SDUUVCPIOLVSFP-UHFFFAOYSA-N 360.414 3.818 0 40 FHAB COC(=O)c1ccccc1NC(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 3909368 UCKRFFCJBBCELI-LBPRGKRZSA-N 356.422 3.865 0 40 FHAB CCC(=O)c1ccc(OCC(=O)NCc2cccc(C(F)(F)F)c2)cc1 7718408 XNGYLVDWUBKULF-UHFFFAOYSA-N 365.351 3.993 0 40 FHAB Cc1ccc(C)c(N[C@@H]2CC(=O)N(c3ccccc3Br)C2=O)c1 101276885 OYBYIVVWXPWRQU-OAHLLOKOSA-N 373.250 3.810 0 40 FHAB Cc1cc(Cl)ccc1NC(=O)c1cccc(NS(C)(=O)=O)c1C 10335867 QKKQCEVZKUKCHM-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccc2c(c1)OCO2 2624263 CJGJTESGYPKNDZ-UHFFFAOYSA-N 361.810 3.676 0 40 FHAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1Cc1cccc2cccnc12 100140981 WZCOXEAZTMZUBI-HKUYNNGSSA-N 355.445 3.848 0 40 FHAB CCOc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)cc1 11914373 JPVXVUAWPUMFLV-UHFFFAOYSA-N 369.808 3.537 0 40 FHAB O=C(COc1ccc(Br)cc1)Nc1noc(-c2ccccc2)n1 21800307 NFEDSJWPFZFNQS-UHFFFAOYSA-N 374.194 3.517 0 40 FHAB COC(=O)c1ccc(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 107362381 OZZKLHUDNJCBMX-UHFFFAOYSA-N 374.245 3.605 0 40 FHAB CCn1c(C)cc(C(=O)CSc2nnc(N3CCCC3)s2)c1C 52911609 IQWJUANFGOMCEI-UHFFFAOYSA-N 350.513 3.552 0 40 FHAB Cc1csc(=O)n1CCC(=O)N1CCCc2cc(Cl)cc(Cl)c21 89702594 XNVLEMZKGNUUBU-UHFFFAOYSA-N 371.289 3.895 0 40 FHAB O=C(c1sccc1OC(F)F)N1CCC[C@@H](c2noc(C3CC3)n2)C1 89885303 KCNCQDQJYGRWIW-SNVBAGLBSA-N 369.393 3.630 0 40 FHAB COc1ccccc1-c1nn2c(O)cc(-c3cc(C(C)C)n[nH]3)nc2c1C 100775763 PVUVMWNDHANHQM-UHFFFAOYSA-N 363.421 3.932 0 40 FHAB O=C(Nc1ccncc1)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 12528404 PNOCAWHAYGMDQN-UHFFFAOYSA-N 350.397 3.928 0 40 FHAB O=C(c1ccccc1)c1ccccc1NC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 102324961 FCYHIISRWIABQG-LNMJFAINSA-N 363.413 3.603 0 40 FHAB O=C(CCN1CCC[C@H]1c1cccc(F)c1)N1CCc2sccc2C1 55905716 VPFGQMOANPMRAA-SFHVURJKSA-N 358.482 3.999 0 40 FHAB C[C@@H](NCc1cccc(Cn2cccn2)c1)C(=O)Nc1ccccc1Cl 56207961 PAFIIONSPBKHSK-OAHLLOKOSA-N 368.868 3.702 0 40 FHAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@@H](O)c1ccccc1 25662123 VXZCKYLJYQVILR-GOSISDBHSA-N 371.868 3.522 0 40 FHAB C[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc2c(c1)CCC2 53387842 QWJQXJGDLBEOQT-MRXNPFEDSA-N 362.473 3.789 0 40 FHAB CC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2C(=S)Nc1ccc(Cl)cc1 100426957 GXBQMZBKDGFALM-HOTGVXAUSA-N 351.903 3.558 0 40 FHAB Cn1c(SCc2cc(Cl)c3c(c2)OCCO3)nnc1-c1cccnc1 26037463 WVIKJVFUCCFCOT-UHFFFAOYSA-N 374.853 3.594 0 40 FHAB Cc1nc2ccccc2n1CC(=O)OCc1ccc(Br)cc1 12555191 ZVSFVPWQGNOCBQ-UHFFFAOYSA-N 359.223 3.851 0 40 FHAB COC(=O)c1ccc(C(=O)Nc2ccccc2OCC(F)(F)F)s1 26137649 BGDVZZVWRWXLBP-UHFFFAOYSA-N 359.325 3.728 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)Nc1ccc(O)c(Cl)c1)CC2 12568320 MTUGOFHNQFWHQQ-UHFFFAOYSA-N 362.813 3.653 0 40 FHAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(F)cc1)O[C@@H](C)C2 12564041 SYHMSXRPNDUBIF-QWHCGFSZSA-N 358.413 3.987 0 40 FHAB C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(F)cc3)c2C(N)=O)C1 1930509 KRLKDIJMDYIIPD-FZPLPXEFSA-N 358.438 3.763 0 40 FHAB CC(=O)Nc1cccc(C(=O)Nc2ccc(N3CCCCCC3)cc2)n1 12555380 FGECRFQFVSBJAG-UHFFFAOYSA-N 352.438 3.673 0 40 FHAB O=C(Nc1ccccc1F)c1cc(=O)c2cc(Br)ccc2o1 27794592 IFOGBSHWUJCPBC-UHFFFAOYSA-N 362.154 3.947 0 40 FHAB CCN(c1cccc(CO)c1)S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 58304786 IRFJJWRPWAYQEE-UHFFFAOYSA-N 361.507 3.936 0 40 FHAB C[n+]1cccc([C@H]2CCCCN2C(=O)c2ccccc2Br)c1 2236386 ZMEOGPZLSGGXII-QGZVFWFLSA-N 360.275 3.641 0 40 FHAB CN(C)[C@H](CNC(=O)c1nccc2ccccc12)c1ccccc1Cl 58415023 CFPXGWGPVOVUOO-GOSISDBHSA-N 353.853 3.921 0 40 FHAB Cc1cc(C)cc(C2(C(=O)NNC(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1 48186475 OWSDKNOIJHLMFR-UHFFFAOYSA-N 366.505 3.699 0 40 FHAB COc1ccc(-c2cc(N[C@H](C)C(=O)NCC(C)C)ccc2OC)cc1 36395715 NMJNPEOPCRFBCR-OAHLLOKOSA-N 356.466 3.943 0 40 FHAB C[C@H](Sc1nnc(-c2cccs2)n1C)C(=O)NC1CCCCCC1 10710868 XBVHAFSLLOJMKM-LBPRGKRZSA-N 364.540 3.863 0 40 FHAB O=C(c1ccccc1F)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 23137246 VRYHRWTWFFTUHN-UHFFFAOYSA-N 371.437 3.500 0 40 FHAB Cc1cc(C)n(Cc2nnc3c4ccccc4c(-c4ccccc4)nn23)n1 2364371 GDEXSTFYEWIFCW-UHFFFAOYSA-N 354.417 3.806 0 40 FHAB O=C(Nc1cccc(-c2nnn[nH]2)c1)c1cccc(Oc2ccccc2)c1 12756819 JFIONMNJDMXAFE-UHFFFAOYSA-N 357.373 3.911 0 40 FHAB Cc1nc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2nc1C 12864728 NKVABGACPHNJPB-UHFFFAOYSA-N 374.488 3.641 0 40 FHAB CC(C)(C)c1ccc(COC(=O)CCn2cnc3sccc3c2=O)cc1 12873729 TUJROQWKFXWOKY-UHFFFAOYSA-N 370.474 3.889 0 40 FHAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1)[C@H]1Cc2ccccc2O1 12918713 ZQNRGLFRLMKEGY-QGZVFWFLSA-N 353.809 3.527 0 40 FHAB C[C@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccccc1Cl 6098460 VREXPBCEGGVNSX-LBPRGKRZSA-N 364.902 3.627 0 40 FHAB COc1ccc2cc(C(=O)Nc3ccc4c(c3)N3CCN=C3S4)[nH]c2c1 5243634 BEQXKVVYLHIQJZ-UHFFFAOYSA-N 364.430 3.711 0 40 FHAB Cc1nc(C(=O)N2CC[C@]3(CCn4c(-c5cccs5)cnc43)C2)cs1 306141573 WAUDBIIJWBNQOM-SFHVURJKSA-N 370.503 3.564 0 40 FHAB Cc1noc(Cl)c1CCC(=O)N[C@H](c1ccccc1)c1ccccn1 65492889 ROONKDCYYSIVEM-GOSISDBHSA-N 355.825 3.870 0 40 FHAB COC(=O)C(C)(C)NC(=O)c1sc(-c2ccc(Cl)s2)nc1C 65403033 CFIKOTHKHJHQMM-UHFFFAOYSA-N 358.872 3.515 0 40 FHAB CCCOc1ccc(OC(=O)COc2ccc(N3CCCC3=O)cc2)cc1 14181462 ZYXJMADJEBLVIY-UHFFFAOYSA-N 369.417 3.587 0 40 FHAB CC(C)n1ncc2cc(NC(=O)c3ccc(NC(=O)C4CC4)cc3)cnc21 14240492 IGRVHGHFQNGZOO-UHFFFAOYSA-N 363.421 3.613 0 40 FHAB O=C(COC(=O)c1c(Cl)cccc1Cl)Nc1ccc(Cl)cn1 5700591 IPMOYHXWZORPIS-UHFFFAOYSA-N 359.596 3.837 0 40 FHAB CCCOc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCCC2 4984242 KFKNRQGLVGTLLG-UHFFFAOYSA-N 358.463 3.767 0 40 FHAB CCn1c(SCc2cc(Cl)c3c(c2)OCCO3)nnc1C1CC1 8771817 VBAWFFPFEILOHQ-UHFFFAOYSA-N 351.859 3.892 0 40 FHAB O=C(Nc1ccccn1)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 8745550 QKOHYHBIUXQVGS-KRWDZBQOSA-N 359.429 3.726 0 40 FHAB CCc1nc2ccccc2n1CC(=O)N(Cc1ccc(F)cc1)C1CC1 8707696 CPFAXXGVUHORJF-UHFFFAOYSA-N 351.425 3.929 0 40 FHAB O=C(Nc1ccc(SC(F)F)cc1)[C@H]1CC(=O)N(C2CCCC2)C1 7399537 MFUDNAOKFJITSS-NSHDSACASA-N 354.422 3.731 0 40 FHAB COc1cc(/C=C(\Cl)c2nc3ccccc3c(=O)[nH]2)cc(OC)c1OC 7503392 PDAPCSIKQDQZAC-JYRVWZFOSA-N 372.808 3.686 0 40 FHAB O=S(=O)(CCN1CCc2ccccc21)c1cc(Cl)ccc1Cl 7600789 AFXFTIILZALMSA-UHFFFAOYSA-N 356.274 3.830 0 40 FHAB Cc1cc(C)cc(NC(=O)CCc2c(C)[nH]n(-c3ccc(F)cc3)c2=O)c1 16205915 AFRRLPLYVDXNSZ-UHFFFAOYSA-N 367.424 3.801 0 40 FHAB Cc1ccc(-c2noc(CCC(=O)N[C@H]3CCOc4ccccc43)n2)cc1 7964787 SRIZVJCLVFSBJU-KRWDZBQOSA-N 363.417 3.618 0 40 FHAB FC(F)(F)Oc1ccc(-c2c[nH]c([C@@H]3COCCN3CC3CC3)n2)cc1 67898716 RTDHNQQHIABDAJ-INIZCTEOSA-N 367.371 3.759 0 40 FHAB biogenic,in-vitro CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 9356121 KTQFSFVYWLHUPX-UHFFFAOYSA-N 368.458 3.878 0 40 FHAB C[C@H](CNc1nc(-c2ccncc2)nc2ccccc12)CC1(C)OCCO1 97002661 MUSHPRFEMQRGLN-HNNXBMFYSA-N 364.449 3.893 0 40 FHAB CC[C@H](NC(=O)[C@H](c1ccccc1)N1CCCCC1=O)c1nc(C)cs1 78621789 CNRGVXQULLABSU-WMZOPIPTSA-N 371.506 3.773 0 40 FHAB COC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(C)c(C)c1 409095141 GXJBDSGIGQPWAJ-UHFFFAOYSA-N 367.474 3.740 0 40 FHAB COc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)c(O)c2)cc1Cl 20142540 LXMOPFPXDUGZNJ-UHFFFAOYSA-N 356.161 3.658 0 40 FHAB Cc1csc(CNC(=O)CCc2ncc(-c3c(F)cccc3F)o2)n1 21483372 LEVQQLBXDLUDMQ-UHFFFAOYSA-N 363.389 3.634 0 40 FHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Oc2ccc(OC)cc2)CC1=O 408669819 SCFBJKMREKXLGZ-KRWDZBQOSA-N 367.445 3.779 0 40 FHAB CC(C)Oc1ccc(CNC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc1 408707974 UEYKFIQCDPPVCD-UHFFFAOYSA-N 368.477 3.530 0 40 FHAB O=C1C[C@@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 36635762 VCGSRRKOUBVRSH-CQSZACIVSA-N 353.180 3.877 0 40 FHAB COc1ccc2cc([C@H](C)C(=O)N[C@@H](C)c3nnc4ccccn34)ccc2c1 32809149 VLDGTERFZPKGPJ-GJZGRUSLSA-N 374.444 3.872 0 40 FHAB CCN(CC)C(=O)c1ccc(NCc2c(C)nc3sc(C)nn23)cc1 556839522 LAVGTSWDOOCHHB-UHFFFAOYSA-N 357.483 3.502 0 40 FHAB COc1cc(C(=O)Nc2ccccc2F)cc(Br)c1OC 33529336 GBBJCYSADGDJBC-UHFFFAOYSA-N 354.175 3.858 0 40 FHAB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2OC)SC1=S 35038909 OXNCGQFETCPDNQ-HLVNSREUSA-N 365.476 3.540 0 40 FHAB Cc1ccc(S(=O)(=O)c2ncccc2CN(C)Cc2ccccc2)cc1 79486546 SUTOCCNBPMCGOI-UHFFFAOYSA-N 366.486 3.855 0 40 FHAB COc1cccc(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)c1 40142740 ALVUWWBLHFDZCR-OAQYLSRUSA-N 366.505 3.898 0 40 FHAB CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(C)=O 223403286 SUZQOTBTJKYQBK-LJQANCHMSA-N 358.869 3.956 0 40 FHAB CCOc1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1 136390935 RGHXPXQJYKJKJZ-UHFFFAOYSA-N 355.419 3.865 0 40 FHAB C[C@H](NC(=O)CSCc1ccc(F)cc1)c1ccc2c(c1)OCCO2 222707518 MRYPMQPCCCBOJO-ZDUSSCGKSA-N 361.438 3.708 0 40 FHAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 225372606 TWEXFRMRXBMJBT-YOEHRIQHSA-N 373.449 3.747 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1ccc(OC)c(OC)c1 44846186 RQIBESNTRWAHSP-QGZVFWFLSA-N 361.413 3.659 0 40 FHAB O=C(NC1CCN(c2cc(-c3ccccc3)n[nH]2)CC1)C1CCCCC1 98212921 MWEMZKJLHHBYMH-UHFFFAOYSA-N 352.482 3.742 0 40 FHAB COc1ccc(CN2CC[C@]3(CCCN(Cc4ccccn4)C3)C2)cc1 96046951 NJAOWTPPKYPKKH-QFIPXVFZSA-N 351.494 3.578 0 40 FHAB O=C(c1ccccc1Cl)N1CCN(c2cc(-c3cccs3)n[nH]2)CC1 98211816 NAZWYTHBMMQNMN-UHFFFAOYSA-N 372.881 3.754 0 40 FHAB CCCCc1cc(C(=O)N2C[C@H]3[C@@H](Oc4cccc(F)c4)CC[C@H]3C2)[nH]n1 257219575 DHHIXMIPFJJRSN-QMIHWGKISA-N 371.456 3.821 0 40 FHAB CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OC)c(O)c4)OCC[C@@]31C2 257226604 FLIFNSPUHLMYFH-BJIWPFEXSA-N 373.493 3.809 0 40 FHAB Cc1cc(Nc2nc(C)cs2)nc([C@H]2CCN(C(=O)C3CCCC3)C2)n1 257267376 MHAWLPCSYJSQEE-HNNXBMFYSA-N 371.510 3.800 0 40 FHAB CC(=O)Oc1csc(N(C(C)=O)c2ccccc2Br)n1 256055364 DLJFMIKZOKSCGD-UHFFFAOYSA-N 355.213 3.516 0 40 FHAB CC1(C)O[C@@H]2C[C@@]3(C)C(=O)CC[C@H]3[C@H]3CC[C@H]4C[C@@H](O)C[C@@H](O1)[C@]4(C)[C@@H]23 257350577 YOMKZERBLMKYST-DTEYTZEXSA-N 362.510 3.699 0 40 FHAB Cc1ccc2[nH]c(C(=O)N3CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C3)cc2c1 1643583972 WODSYUIVVYCMJW-GOEBONIOSA-N 356.466 3.916 0 40 FHAB CCOC(=O)c1c(Nc2ccc(C)cc2)nn(Cc2ccccc2)c1N 390831974 WJUGUZMSECRZRY-UHFFFAOYSA-N 350.422 3.742 0 40 FHAB Cc1ccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)OC2CCCC2)cc1C 585108983 KPUKISQYBWOCDL-OALUTQOASA-N 356.466 3.558 0 40 FHAB O=C(NC1C[C@H]2[C@H](C1)C2(F)F)c1cc(-c2ccco2)nn1-c1ccccc1 1329008346 PTBGVNNCRQXOJY-GJZGRUSLSA-N 369.371 3.906 0 40 FHAB CC(=O)Nc1cccc([C@H](C)NC(=O)NCc2cccc(OC(C)C)c2)c1 56411839 BLIPCXVOIRLCQU-HNNXBMFYSA-N 369.465 3.993 0 40 FHAB CCOc1ccccc1C(=O)Nc1cc2c3c(c1)[C@H](C)C(=O)N3CCC2 5153642 HEJGOZMZQTVFMC-ZDUSSCGKSA-N 350.418 3.734 0 40 FHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)C(C)C)cc2N1 12276193 MEDWYJSHIKCKQD-KWCYVHTRSA-N 358.408 3.900 0 40 FHAB CCc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)cc1 14257770 KHRTUKNLSDZCHS-UHFFFAOYSA-N 353.491 3.976 0 40 FHAB CCC[C@@H](C)NC(=S)Nc1cc(S(=O)(=O)N(CC)CC)ccc1C 16182529 KRGNEFUWTVWOHZ-CQSZACIVSA-N 371.572 3.501 0 40 FHAB Cc1ccc(CN2CCc3nc([C@H]4CCCCN4C)ncc3C2)cc1C 19214008 QPNNPQDJJLPFTO-OAQYLSRUSA-N 350.510 3.809 0 40 FHAB CC(C)[C@@H](NC(=O)CCc1ccncc1)c1ccc2c(c1)OCCCO2 19445811 IQPARKLJGSEIQT-OAQYLSRUSA-N 354.450 3.689 0 40 FHAB CCC[C@@H](c1nnnn1C1CCCCC1)N1CCN(C2CCCC2)CC1 19501873 NOMZDXQKBZKFOS-IBGZPJMESA-N 360.550 3.580 0 40 FHAB CCc1nccn1C[C@@H](C)C(=O)Nc1ccc2c(c1)nc(C(C)C)n2C 19523595 WIUCKFQIWWKACU-CQSZACIVSA-N 353.470 3.730 0 40 FHAB COc1ccc([C@@H]2CCCCN(C(=O)c3noc4c3CCCC4)C2)cc1 206885173 CNYCGNIOSFZYLB-MRXNPFEDSA-N 354.450 3.972 0 40 FHAB COc1cnccc1-c1noc([C@@H]2CCN(c3ccccc3Cl)C2)n1 519731433 IHZDEPIDAKBGCS-GFCCVEGCSA-N 356.813 3.788 0 40 FHAB CC1CCN(CCNc2ncc(-c3ccncc3)c(-c3ccco3)n2)CC1 12222029 MJPTXFYOBZBKRG-UHFFFAOYSA-N 363.465 3.942 0 40 FHAB CC[C@@H]1CN(C(=O)c2cccc(N[C@H](C)C(C)C)c2C)C[C@]2(CCOC2)O1 684523863 NKVWJILJPNTRQV-HMFYCAOWSA-N 374.525 3.862 0 40 FHAB CCSc1ccccc1C(=O)N1CCC(Oc2cc(C)nc(C)n2)CC1 390827250 VLYXQMZCRJDCLJ-UHFFFAOYSA-N 371.506 3.889 0 40 FHAB O=c1c2c3c(sc2ncn1Cc1cccc(Br)c1)CCC3 3018095 FXXXWMFXHFIAEM-UHFFFAOYSA-N 361.264 3.758 0 40 FHAB CCc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(Cl)c(N)cc2OC)cc1 5955268 WUWADKNAAFXGGV-LLVKDONJSA-N 361.825 3.921 0 40 FHAB FC(F)(F)c1ccnc(OC2CCN(C3Cc4ccccc4C3)CC2)n1 1888853679 LLZUXRWUQYOWTF-UHFFFAOYSA-N 363.383 3.506 0 40 FHAB O=C(CCc1nnc(-c2ccccc2)o1)Nc1ccccc1OC(F)F 32747476 MQYIZRGZSQPXTA-UHFFFAOYSA-N 359.332 3.909 0 40 FHAB O=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1ccnn1Cc1ccccc1 32768949 ZBEDNJQECRONRU-VAWYXSNFSA-N 369.428 3.769 0 40 FHAB O=C(Cc1cccc(Cl)c1)N1CCC[C@@](O)(COc2ccccc2)CC1 2037909290 NKWPSWMSJSUPDL-NRFANRHFSA-N 373.880 3.705 0 40 FHAB Cc1ccc(C(=O)N2[C@@H](C(=O)O)CS[C@@H]2c2ccccc2Cl)cc1 3620467 BDCKQLQRWJGVHI-NVXWUHKLSA-N 361.850 3.989 0 40 FHAB Cc1ccc2cc(CCNC(=O)c3ccccc3C(F)(F)F)c(=O)[nH]c2c1 4032847 AATWHXANJOYNQI-UHFFFAOYSA-N 374.362 3.828 0 40 FHAB CCOc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1OCC 9827763 CGRHDSBPKRCECV-UHFFFAOYSA-N 354.406 3.621 0 40 FHAB CCOc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)cc1OC 12444026 LACHTOWJGSWBGQ-UHFFFAOYSA-N 355.369 3.671 0 40 FHAB CN(C)CCCN(C(=O)c1ccno1)c1nc2c(Cl)cccc2s1 13596103 ZWZMCMAXDVTYNW-UHFFFAOYSA-N 364.858 3.536 0 40 FHAB Cc1ccccc1CN1CCC(Nc2ccccc2)(C(=O)NC(C)C)CC1 2055759381 RLUKHWINVGAYTD-UHFFFAOYSA-N 365.521 3.966 0 40 FHAB O=C(c1ccc2nsnc2c1)N(Cc1cccs1)C1CCOCC1 207961886 QQQMBDSNASITAW-UHFFFAOYSA-N 359.476 3.574 0 40 FHAB O=C(NCc1cc(=O)n(-c2ccccc2)[nH]1)c1ccc(-c2ccccc2)cc1 8742996 ZZIJCTOUHBXGNV-UHFFFAOYSA-N 369.424 3.763 0 40 FHAB CCCCCCn1c(SCc2noc(C)n2)nc2ccccc2c1=O 30024828 KXQYVDJPNXRGJS-UHFFFAOYSA-N 358.467 3.961 0 40 FHAB O=C(NC[C@H]1CCCO1)c1ccc(COc2ccc3ccccc3c2)o1 20149793 UPOWLVCAMZKVQX-GOSISDBHSA-N 351.402 3.921 0 40 FHAB Cc1ccccc1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 100489183 OMHCSTNRUFTNPW-SLUIBLPYSA-N 374.440 3.783 0 40 FHAB CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1cccc(Cl)c1 2487076 XFBVGERHUQPXHL-YGRLFVJLSA-N 364.854 3.552 0 40 FHAB Cc1ccc(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)c(F)c1 7927353 IXNXCOGMCBYUGI-HNNXBMFYSA-N 362.470 3.815 0 40 FHAB CCCc1cc(=O)[nH]c(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)n1 11443382 ZYAJCDVJMYQWED-VIFPVBQESA-N 369.849 3.634 0 40 FHAB COC(=O)c1c(NC(C)=O)sc(C(=O)Nc2cc(C)ccc2C)c1C 868963 BPBHEJOGYMFJPV-UHFFFAOYSA-N 360.435 3.671 0 40 FHAB CCOC(=O)c1ccccc1C(=O)c1cccc(CN2CCSCC2)c1 2515277 SJFTYNPVLYUKNN-UHFFFAOYSA-N 369.486 3.643 0 40 FHAB CCN(C(=O)CSc1nnc(-c2ccco2)n1CC)c1ccccc1 2662047 IQUNDJKFBWACJT-UHFFFAOYSA-N 356.451 3.703 0 40 FHAB CCc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(OC)cc2)cc1 6046365 DYQBGICXOXZQRT-IBGZPJMESA-N 365.433 3.524 0 40 FHAB CCOc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 7053221 IPAHLYCAUXKPFC-UHFFFAOYSA-N 361.341 3.785 0 40 FHAB COc1ccc(SCC(=O)NCCSCc2ccccc2F)cc1 7638698 GCWQDJNEGHAITN-UHFFFAOYSA-N 365.495 3.976 0 40 FHAB Cc1ccc(CCc2nn3c(COc4ccccc4)nnc3s2)cc1 21173351 TYCHBHPHEREOMY-UHFFFAOYSA-N 350.447 3.858 0 40 FHAB Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccnc(N(C)C)c1 32830735 UJXNHXUIFSSBHM-UHFFFAOYSA-N 358.492 3.571 0 40 FHAB O=C(N1CCC[C@H](c2nnc3ccccn23)C1)C12CC3CC(CC(C3)C1)C2 32830468 QSJUASJRCYIXHP-XDHFQJGLSA-N 364.493 3.652 0 40 FHAB NC(=O)Nc1ccc(CNC(=O)CCSc2ccc(Cl)cc2)cc1 32899166 QRUSUFXOYXHYOK-UHFFFAOYSA-N 363.870 3.629 0 40 FHAB CCc1ccccc1NS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 8600892 NTWSHTBSWCPELS-UHFFFAOYSA-N 373.478 3.678 0 40 FHAB Cc1cc(C)c(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c(Cl)c1 32990877 BIRUXVKPGKDCCS-UHFFFAOYSA-N 356.809 3.863 0 40 FHAB Cc1ccc(C)c(NC(=S)N2[C@H]3CCC[C@H]2CC(NC(=O)C2CC2)C3)c1 100426903 PSIQYSRGYUQJNU-ROUUACIJSA-N 371.550 3.912 0 40 FHAB COc1cc(OC)c(N2CC(O)=C(c3nc(C)cs3)C2=N)cc1Cl 102719515 NWPRXVGSAKOXEH-UHFFFAOYSA-N 365.842 3.889 0 40 FHAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)c2cccc(Cl)c2)c1C 2643373 WZZCKGNMUOCBDZ-UHFFFAOYSA-N 363.797 3.501 0 40 FHAB Cc1ccc([C@@H]2C=C(c3ccc(F)cc3)Nc3nc(CCCO)nn32)cc1 100706922 KFPNODHIKCHTFU-IBGZPJMESA-N 364.424 3.707 0 40 FHAB CC(=O)NC(=S)Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1 9064233 KRSZLVJKSYVZCD-UHFFFAOYSA-N 361.810 3.687 0 40 FHAB O=C1N[C@@]23c4ccccc4CC[C@@]2(C1=O)c1ccccc1N3c1ccccc1 103108172 RXHIGRINJNEEOG-BJKOFHAPSA-N 366.420 3.574 0 40 FHAB COc1ccc(-c2cc(C(F)F)nn2-c2nc(C(=O)O)cs2)cc1 33435765 VDGKXYQHWUCRKB-UHFFFAOYSA-N 351.334 3.640 0 40 FHAB CCCOc1ccc(-c2nonc2NC(=O)COc2cccc(C)c2)cc1 12062749 ROJNOMKMIWEUSQ-UHFFFAOYSA-N 367.405 3.851 0 40 FHAB Cc1csc(NC(=O)CSc2cc(-c3ccccc3)nc(C)n2)n1 12016967 MNKYTCRAGIFLTP-UHFFFAOYSA-N 356.476 3.948 0 40 FHAB COc1ccc(-c2nnc(CSc3ncn(-c4ccccc4)n3)o2)cc1 22286630 YGEQUPNFLDWYSG-UHFFFAOYSA-N 365.418 3.618 0 40 FHAB O=C1C(Cl)=C(Nc2ccc(Cl)cc2)C(=O)N1CCc1ccccc1 955250 BWJCLUYDVMATFH-UHFFFAOYSA-N 361.228 3.814 0 40 FHAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)Nc1ccccc1C(F)(F)F 54349903 KFDIPNLYKPHRPX-LBPRGKRZSA-N 354.332 3.725 0 40 FHAB CCN1CCc2c(sc3nc(SC)n(-c4ccccc4)c(=O)c23)C1 51330901 UYRQVOANCROZDX-UHFFFAOYSA-N 357.504 3.547 0 40 FHAB O=C(NC1C[C@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1)c1ccncc1 100424897 PEXUHVBJGSYZGT-WOJBJXKFSA-N 353.441 3.536 0 40 FHAB COc1ccc(C)cc1CN(C)C(=O)c1ccc(NC(=O)C2CC2)s1 10087127 XISXICGQXLZEML-UHFFFAOYSA-N 358.463 3.686 0 40 FHAB Cc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1NS(C)(=O)=O 58159958 GNYQBMIGPFUYBQ-UHFFFAOYSA-N 353.831 3.664 0 40 FHAB CC(C)c1nnc(SCCC(=O)NCCc2ccccc2)n1C1CC1 58357277 YLHMIHURVXSJQL-UHFFFAOYSA-N 358.511 3.578 0 40 FHAB Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)Cc3cccs3)C2)cc1 58309063 KUFZRRYUKNCTJB-INIZCTEOSA-N 371.506 3.659 0 40 FHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccc(C)cc1C 28189197 OOGJTERLUSYJBH-UHFFFAOYSA-N 371.462 3.842 0 40 FHAB CCc1ccc([C@@H](CNC(=O)COc2ccccc2)N2CCCC2)cc1 28403413 XIXXZJINPHEESC-OAQYLSRUSA-N 352.478 3.581 0 40 FHAB Cc1ccc(-c2csc3ncnc(OCC(=O)N4CCCC4)c23)cc1 3366072 FZQFAYFTUHCCCZ-UHFFFAOYSA-N 353.447 3.668 0 40 FHAB O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1cccc(C(=O)O)c1 408625330 XLBYSJQEFNNOJP-UHFFFAOYSA-N 372.490 3.804 0 40 FHAB O=C(Nc1ccc(N2CCCC2)cc1)[C@@H]1CCCN1C(=O)C1CCCCC1 48215166 GGLYQUBQFPFBAV-FQEVSTJZSA-N 369.509 3.797 0 40 FHAB CCCCn1nnnc1CSc1nc(C(F)(F)F)nc2ccccc12 48300098 ULFOVEMPLBULKC-UHFFFAOYSA-N 368.388 3.728 0 40 FHAB C[C@H](C(=O)N1CCCCC1)n1nc(-c2cccs2)c2ccccc2c1=O 12803454 SZJFTGSWVUNLSJ-CQSZACIVSA-N 367.474 3.699 0 40 FHAB Cc1c(NC(=O)c2c(F)cccc2Cl)c(=O)n(-c2ccccc2)n1C 3462782 GSYLFRQMACNREQ-UHFFFAOYSA-N 359.788 3.529 0 40 FHAB Cc1n[nH]c(S/C(=C\c2ccccc2OCc2ccccc2)C(=O)O)n1 8272361 DOAFYOMCGBIBHZ-BOPFTXTBSA-N 367.430 3.910 0 40 FHAB CCc1cc2c(N3CCC[C@@H]3c3nnc4n3CCCCC4)ncnc2s1 12934683 DNJLPKZTUVYQAV-OAHLLOKOSA-N 368.510 3.913 0 40 FHAB COC(=O)C1=NN(c2ccc(OC)cc2)[C@]2(Nc3ccccc3S2)S1 3616024 PNZBHDGDDYMDEJ-KRWDZBQOSA-N 373.459 3.564 0 40 FHAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(NC2CCCCC2)cc1 70007661 JFVPPDAZPRIICY-AWEZNQCLSA-N 355.438 3.781 0 40 FHAB Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCCCC1 3885393 INCDAIWATSOPRP-UHFFFAOYSA-N 365.886 3.713 0 40 FHAB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1ncc(-c2ccc(F)cc2)o1 65492713 LQXVSFWLVKOMHI-CXAGYDPISA-N 365.408 3.848 0 40 FHAB C[C@@H](OC(=O)c1cccc(-n2cccc2)c1)C(=O)N(C)C1CCCCC1 6485557 HRAQBPBTFQFUED-MRXNPFEDSA-N 354.450 3.814 0 40 FHAB O=S(=O)(Nc1cc2c(cc1Cl)OCCO2)c1ccc(Cl)cc1 14240152 GLIHGOUHAQTTJH-UHFFFAOYSA-N 360.218 3.565 0 40 FHAB Cc1ccc(NC(=O)CSc2nc(=O)c3c(C)c(C)sc3[nH]2)cc1 8741923 NCBUGVZVNDMOAH-UHFFFAOYSA-N 359.476 3.641 0 40 FHAB O=C(O)c1ccccc1C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 4815721 GBUTXBOACKUNAC-UHFFFAOYSA-N 357.369 3.952 0 40 FHAB c1ccc2c(c1)[nH]c1nnc(SCc3nc(-c4ccsc4)no3)n12 7199640 MTZUFNRJGBAYGL-UHFFFAOYSA-N 354.420 3.614 0 40 FHAB COc1cccc(OC)c1C(=O)OCc1nc(-c2ccc(Cl)cc2)no1 7418234 RDPQYLLYLVAJGK-UHFFFAOYSA-N 374.780 3.764 0 40 FHAB CC1CCC2(CC1)NC(=O)N(Cc1csc(-c3ccsc3)n1)C2=O 7644174 IFTVLQSICGBEFU-UHFFFAOYSA-N 361.492 3.872 0 40 FHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@H]2c1ccc(F)cc1Cl 71281081 BIOJKUWFPFQGLL-LBPRGKRZSA-N 365.792 3.671 0 40 FHAB CCOc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccco2)cc1 408615767 RYAIANDMVGSMRD-UHFFFAOYSA-N 364.401 3.861 0 40 FHAB O=C(/C=C/c1cnc2ccccc2n1)Nc1nnc(Cc2ccccc2)s1 9502542 ZZSBDPQBTWCMRQ-ZHACJKMWSA-N 373.441 3.724 0 40 FHAB CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3cccs3)sc2C1 22528054 UFMMNKTTZCRXMP-UHFFFAOYSA-N 365.480 3.750 0 40 FHAB O=C(Nc1ccc(Cl)cc1)c1nnc(CSc2ncccn2)s1 9762776 WMQLCPRBRVUHPK-UHFFFAOYSA-N 363.855 3.526 0 40 FHAB CN(C(=O)Nc1nc(-c2cccnc2)cs1)[C@H](CCO)c1ccccc1 75533349 SJSXZJCIDOPAMM-QGZVFWFLSA-N 368.462 3.793 0 40 FHAB C[C@H](c1ccccc1)N(C)C(=O)CSc1nc(N)c2ccsc2n1 9835875 LWBVRRFMIKMRFL-LLVKDONJSA-N 358.492 3.585 0 40 FHAB O=C(Nc1nc(CN2CCCCC2)cs1)[C@H]1CCOc2ccccc21 76851495 RSZODCVRPOCHQM-INIZCTEOSA-N 357.479 3.634 0 40 FHAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C[C@@H]2CC=CCC2)CC1 97032697 YKHCHROYKLOODG-ZWKOTPCHSA-N 352.482 3.772 0 40 FHAB COc1ccc2c(c1)CN(C(=O)Nc1ccn(C)n1)[C@H](C1CCCCC1)C2 97164697 LMBBMENYBXGKNA-IBGZPJMESA-N 368.481 3.968 0 40 FHAB CCCOc1ccc(CNC(=O)c2cc(OC)c3ccccc3n2)cc1 72329565 OXCBTXXSGOFVTO-UHFFFAOYSA-N 350.418 3.962 0 40 FHAB CCOc1ccccc1C(=O)N[C@@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 78950973 WYQNRELONINZBM-GUYCJALGSA-N 368.433 3.686 0 40 FHAB Cc1nc2c(s1)[C@H](N(C)C(=O)c1scnc1Br)CCC2 95465623 YOQJKXMVXHWSEY-SECBINFHSA-N 372.313 3.820 0 40 FHAB Cc1noc(-c2ccccc2C(=O)N2CCC(Cc3cccnc3)CC2)n1 95458061 LXGBYTDBSNZEPA-UHFFFAOYSA-N 362.433 3.535 0 40 FHAB COc1ccc(Cl)cc1NC(=O)c1ccc2nnc(C(F)F)n2c1 79106014 BILPNVUZZHRWEC-UHFFFAOYSA-N 352.728 3.581 0 40 FHAB CN(C)Cc1ccnc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)c1 89319453 CMSXGSLYTLOSAJ-UHFFFAOYSA-N 370.453 3.587 0 40 FHAB Cc1ccc(NC(=O)N(C)C[C@@H](c2cccs2)N2CCOCC2)c(C)c1 89614074 GEIRDNZLTHGURI-SFHVURJKSA-N 373.522 3.902 0 40 FHAB COc1ccc(CNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 20488635 UUAORFVPEMTLKU-KRWDZBQOSA-N 352.478 3.857 0 40 FHAB O=C1[C@H]([C@@H](O)c2ccccc2Cl)C(C(F)(F)F)=NN1c1ccccc1 3849060 YILYRCMXIGMUIJ-KGLIPLIRSA-N 368.742 3.955 0 40 FHAB biogenic CCCNc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72213204 RQJOYPCGCTXJIQ-GOSISDBHSA-N 359.495 3.738 0 40 FHAB Cn1ccc2c(C(=O)NC3CCN(Cc4ccc(F)cc4)CC3)cccc21 79493984 KPIBAIXEBDKTKV-UHFFFAOYSA-N 365.452 3.712 0 40 FHAB C[C@@H]1CN(c2cccc(Cl)c2)CCN1C(=O)c1cccc2[nH]ncc12 1569686068 RXTPQCMPRUNZRY-CYBMUJFWSA-N 354.841 3.567 0 40 FHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)cn1 222773399 RCTZFLVFLACWJR-RBUKOAKNSA-N 363.490 3.568 0 40 FHAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccnc2)S1 222587533 HELJNOWUMUFVJA-KYNGSXCRSA-N 361.474 3.857 0 40 FHAB COc1ccc([C@@H](C)NC(=O)COc2cccc3cccnc23)cc1OC 194952717 CIKZUCDVALCLRV-CQSZACIVSA-N 366.417 3.508 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NC(C)C 44844162 VMRBOKXHKVFUID-GOSISDBHSA-N 358.413 3.760 0 40 FHAB COc1cccnc1NC(=S)NCCSCc1ccc(Cl)cc1 225304598 BMPKUMPRXFDZQB-UHFFFAOYSA-N 367.927 3.963 0 40 FHAB CC(C)(Cc1ccccc1)NC(=O)COc1ccc(Br)cc1 224151200 NEWQKNJIKNGHKR-UHFFFAOYSA-N 362.267 3.965 0 40 FHAB CCOc1ccc(-c2nc(COc3ccccc3F)n[nH]2)cc1OCC 85385217 PPENTLPJFFWOAD-UHFFFAOYSA-N 357.385 3.987 0 40 FHAB COc1ccc(C(=O)N2CCO[C@H](c3ccccc3)C2)cc1OC(F)F 40120457 ICOQALSAVCXZQN-KRWDZBQOSA-N 363.360 3.510 0 40 FHAB O=C(Nc1nc(-c2ccccc2)ns1)c1ccc(Br)o1 42090742 VBRSUBLAQKKMRD-UHFFFAOYSA-N 350.197 3.813 0 40 FHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(C)cn1 225688668 CTMRCLAKIGWWRW-HNNXBMFYSA-N 357.479 3.987 0 40 FHAB CC(=O)N1CC[C@@H](OCc2csc(C)n2)[C@@H](Cc2cccc(C)c2)C1 96220267 OPBXHTWOMMPKSB-AZUAARDMSA-N 358.507 3.756 0 40 FHAB CC(C)n1c(CCNC(=O)c2cc(-c3ccco3)[nH]n2)nc2ccccc21 95475804 GZYAZBMETJYXNY-UHFFFAOYSA-N 363.421 3.573 0 40 FHAB Cc1cc(CNC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)n(C)n1 585081179 CWYIQKOSJHTCLE-OAQYLSRUSA-N 360.461 3.586 0 40 FHAB CC(C)(c1nc(-c2ccc(OCCN3CCCC3)cc2)no1)C(F)F 585084161 BAVZYRSICXXCHN-UHFFFAOYSA-N 351.397 3.754 0 40 FHAB C[C@@H](c1ccc(CN2CCC(CCO)(CCO)CC2)cc1)C(F)(F)F 640010500 HURYAPHYZVGOKO-HNNXBMFYSA-N 359.432 3.699 0 40 FHAB CSc1ccc([C@H](CNC(=O)c2ncsc2C2CC2)N(C)C)cc1 1141366006 RBRVRMWURNFTTH-HNNXBMFYSA-N 361.536 3.775 0 40 FHAB c1ccc2c(c1)-c1ccccc1C2N1CCN(c2ncnc3c2CCC3)CC1 676881026 UHBBKDIXJBCQPB-UHFFFAOYSA-N 368.484 3.857 0 40 FHAB O=C(C1CCCC1)N1CCC(COc2cccc(C(F)(F)F)n2)CC1 585531419 AKULZULIBQHAJL-UHFFFAOYSA-N 356.388 3.908 0 40 FHAB c1ccc(-c2cnc(N=c3cncc(C[C@H]4CCCNCC4)[nH]3)s2)cc1 585263027 HXKMEOWDWKSBOQ-HNNXBMFYSA-N 365.506 3.698 0 40 FHAB Cc1ccc(CC2CN(C(=O)N[C@@H](c3ccccc3)[C@H]3CCOC3)C2)cc1 664574286 AXWLODUGCQQNOO-VXKWHMMOSA-N 364.489 3.957 0 40 FHAB CC(C)(C)c1csc(CNC(=O)c2csc(Nc3ccccn3)n2)n1 72290174 FGNQCESYRDOJJH-UHFFFAOYSA-N 373.507 3.966 0 40 FHAB Cc1ccc(N2C(=O)C[C@@H](c3cccc(Cl)c3)C3=C2COC3=O)cc1 5204857 JMEFQUKVRVSHAL-INIZCTEOSA-N 353.805 3.980 0 40 FHAB CCC1=NN(C(=O)c2ccc(Br)cc2)[C@@](O)(C(C)(C)C)C1 5711229 FYCUZTXPVRZDFA-INIZCTEOSA-N 353.260 3.796 0 40 FHAB Cc1ccccc1NCC(=O)Nc1ccccc1I 15288559 WBKYQQOLKGZGRW-UHFFFAOYSA-N 366.202 3.650 0 40 FHAB Cn1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)n1 16261549 BNMSWAAYUFOTMR-UHFFFAOYSA-N 360.826 3.640 0 40 FHAB CC(C)c1nn(-c2ccccc2)cc1CNC(=O)NC[C@H]1CCOC1(C)C 664425240 IIYKVWMKLINSES-QGZVFWFLSA-N 370.497 3.610 0 40 FHAB O=C(N[C@H](CC1CC1)c1cc(F)cc(Br)c1)c1cnco1 681764384 IZNYDQVFAAUJDP-CYBMUJFWSA-N 353.191 3.847 0 40 FHAB CN1CC[C@H](c2n[nH]cc2-c2ccnc(NCc3cccc(F)c3)c2)C1 1848356923 XNDZLMIMTAIFPF-INIZCTEOSA-N 351.429 3.642 0 40 FHAB COc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cn1 24029216 UQMHEAGNRWFHGF-UHFFFAOYSA-N 353.403 3.656 0 40 FHAB Cc1ccc(CN2CCC(Nc3ccccc3)(C(=O)N(C)C)CC2)cc1 2055751264 BGULYINCASNBTE-UHFFFAOYSA-N 351.494 3.530 0 40 FHAB Cc1csc(C(=O)N2CCC3(CC2)CO[C@@H](COc2ccccn2)C3)c1 2055806577 MDFWESWBLFIELE-MRXNPFEDSA-N 372.490 3.542 0 40 FHAB COc1ccc(-c2cs/c(=N\c3ccccc3OC)n2CCCO)cc1 4940165 VGKPCFCHCYTOEY-MRCUWXFGSA-N 370.474 3.849 0 40 FHAB CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccccc1C(=O)O 8715809 KYMDMRZEWRMOSO-UHFFFAOYSA-N 363.435 3.708 0 40 FHAB O=C(Nc1ccncc1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 40086586 UPDRVMHDJRCHFS-OAHLLOKOSA-N 364.232 3.632 0 40 FHAB CC(C)n1ncc2c(C(=O)N3CCn4cccc4[C@H]3C)cc(C3CC3)nc21 30262924 AYGROXMTHOVWOI-CQSZACIVSA-N 363.465 3.908 0 40 FHAB COC(=O)c1cnc(NC(=O)c2ccc(-c3ccccc3)cc2F)s1 40131962 AFOCIZCRJUYZHN-UHFFFAOYSA-N 356.378 3.988 0 40 FHAB CC(=O)N[C@H]1C(=O)N(CCOc2ccccc2Cl)c2c(C)cc(C)cc21 100485659 UZWZNCWSNIJEOS-GOSISDBHSA-N 372.852 3.560 0 40 FHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(F)cc1 888216 JZKHALMWMRFZDX-UHFFFAOYSA-N 370.453 3.759 0 40 FHAB COc1ccccc1[C@@H](OC(=O)c1cccs1)C(=O)NC1CCCC1 1381167 XAGZTYGFBAHENY-QGZVFWFLSA-N 359.447 3.714 0 40 FHAB Cc1ccc2occ(-c3nnc(NC(=O)c4ccccc4)s3)c(=O)c2c1 1610793 SCTJPEKGBIVRQH-UHFFFAOYSA-N 363.398 3.872 0 40 FHAB CCO[P@@](=O)(c1ccccc1)[C@H](NC(=O)OC)C(Cl)(Cl)Cl 2675064 XKCBRBXUYHBZIW-CWKPULSASA-N 374.588 3.679 0 40 FHAB COc1ccc(CCNC(=O)CCSc2ccc(F)cc2)cc1OC 3614682 OBJZTQQYXKKXFL-UHFFFAOYSA-N 363.454 3.684 0 40 FHAB CCc1cc2cc3c(cc2nc1SCC(=O)N1CCC[C@@H](C)C1)OCO3 4849528 JVLSCRFHOWLIMY-CYBMUJFWSA-N 372.490 3.877 0 40 FHAB CCCN(CCC)C(=O)CSc1nnc(Cc2ccccc2)n1CC 6654591 DBLMMDYIVBAIHZ-UHFFFAOYSA-N 360.527 3.630 0 40 FHAB CCc1ccc(OCC(=O)NCc2ccccc2CN2CCCCC2)cc1 7850205 DATXBXFUJOIZFK-UHFFFAOYSA-N 366.505 3.930 0 40 FHAB O=S(=O)(Nc1ccccc1N1CCCCC1)c1cc(F)ccc1F 8109149 NJXFVNXKMHPBMB-UHFFFAOYSA-N 352.406 3.756 0 40 FHAB CCCCC(=O)Nc1cc(Br)c(N)c(Br)c1 8702102 NOKYNWGCJAOGNI-UHFFFAOYSA-N 350.054 3.923 0 40 FHAB CC(C)Oc1cccc(CCCNS(=O)(=O)Cc2ccc(F)cc2)c1 10543295 ZIMLPYVRQMXGNH-UHFFFAOYSA-N 365.470 3.665 0 40 FHAB O=C(Oc1ccccc1N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1cccs1 101913253 HWJPBRYHYUUGAH-BETUJISGSA-N 355.415 3.647 0 40 FHAB Cc1sc(NC(=O)c2cccs2)nc1-c1ccc2c(c1)NC(=O)CO2 11904335 DXKCCNSSLGEDQQ-UHFFFAOYSA-N 371.443 3.763 0 40 FHAB CCc1ccc(OCC(=O)Nc2nc(-c3ccc(OC)cc3)ns2)cc1 12062973 HIUDMMJAFUFSMF-UHFFFAOYSA-N 369.446 3.794 0 40 FHAB Cc1nc(NC(=O)Cc2c(F)cccc2Cl)sc1-c1nccn1C 22883494 XTHBXSWPJIUIGW-UHFFFAOYSA-N 364.833 3.826 0 40 FHAB CCn1c(SCC(=O)NCc2ccccc2C)nnc1-c1cccs1 7477777 ONLXCXGFUXYBJJ-UHFFFAOYSA-N 372.519 3.743 0 40 FHAB CO[C@H](C(=O)Nc1ccc(CCN2CCSCC2)cc1)c1ccccc1 61287667 LRRMQTWAHHSTTD-FQEVSTJZSA-N 370.518 3.604 0 40 FHAB Cc1sc2nc(CN3CCOCC3)nc(N3CCCCCC3)c2c1C 23805455 HABJSQGXDPLHGB-UHFFFAOYSA-N 360.527 3.521 0 40 FHAB Cc1c(Cl)cccc1NC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 100628951 OOBUIHNECFZFCS-ZIAGYGMSSA-N 373.909 3.626 0 40 FHAB Cc1cc(C(=O)N[C@H](c2ccccc2)c2ccccn2)c2c(C)noc2n1 29716378 OVLVHKJMHRJNMN-LJQANCHMSA-N 358.401 3.754 0 40 FHAB C[C@H](OC(=O)c1ccc2ncsc2c1)C(=O)N(C)Cc1cccc(F)c1 24699433 FRDLHGBWAHHPGP-LBPRGKRZSA-N 372.421 3.639 0 40 FHAB O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 25145170 IQPXHMCCMYRDES-MJVIPROJSA-N 372.412 3.727 0 40 FHAB Cc1ccc(C(=O)c2ccc(OCCSc3nncn3C)cc2)cc1 3173773 DQLIRWOMVNDZGX-UHFFFAOYSA-N 353.447 3.526 0 40 FHAB O=C(CN1CCC(N2CCCCC2)CC1)Nc1ccccc1C(F)(F)F 26439256 SNJOOSOPAWMPIP-UHFFFAOYSA-N 369.431 3.594 0 40 FHAB CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3cccc(Cl)c3C)ccc21 12562452 BQUUCWFVNLOONF-CYBMUJFWSA-N 371.868 3.997 0 40 FHAB C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[C@@H](C)c3ccc(F)cc3)CC2)C1 57474089 CHXAZUAUZKZPQG-DLBZAZTESA-N 374.500 3.816 0 40 FHAB O=C(CNc1cccc(F)c1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 57523797 KQSCVDQNPBTGRY-MRXNPFEDSA-N 353.353 3.802 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N[C@@H](C)c2ccc(F)cc2F)c1C 57713704 UOORAWRKVNFJMO-JQWIXIFHSA-N 364.392 3.618 0 40 FHAB Cc1cccnc1NC(=O)CNC(=O)c1sc2ccccc2c1Cl 27651587 MDYLNLUIRPICBH-UHFFFAOYSA-N 359.838 3.627 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCCc1c[nH]c2ccccc12 10217892 DTOGKSZXBLPRSQ-QFIPXVFZSA-N 373.456 3.791 0 40 FHAB COc1ccc2cc(CNC(=O)NCCCN3CCC(C)CC3)ccc2c1 10495741 ZSIQYQFNDWVSNH-UHFFFAOYSA-N 369.509 3.770 0 40 FHAB CC[C@H](NC(=O)CCc1c(C)[nH]c(=S)[nH]c1=O)c1ccc(Cl)cc1 10423803 CEEFTGNYAKXFLO-AWEZNQCLSA-N 365.886 3.594 0 40 FHAB Cc1cccc2c(=O)n(CCCC(=O)Nc3ccc(F)c(Cl)c3)cnc12 10409266 QMCWVDPVCGNLQL-UHFFFAOYSA-N 373.815 3.916 0 40 FHAB CCc1ccccc1Nc1nc(N)nc(CN[C@@H](C)c2cccs2)n1 12597710 KYKVZYJSZCKTQH-LBPRGKRZSA-N 354.483 3.672 0 40 FHAB Cc1cc(C)c(S(=O)(=O)N2CCc3cc4ccccc4nc32)c(C)c1 15841798 UOFJSKRXSZDRHI-UHFFFAOYSA-N 352.459 3.911 0 40 FHAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N[C@@H](C)c1ccccc1 2375025 YYXJFGVZHAYZCA-HNNXBMFYSA-N 365.437 3.629 0 40 FHAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nncn2C)c2ccccc2)c1 3395111 XFXXMOBQJPXOMJ-QGZVFWFLSA-N 352.463 3.904 0 40 FHAB C[C@@H](CNC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1)c1ccsc1 80608109 WRPNOZSZEHHQGH-SJCJKPOMSA-N 366.433 3.913 0 40 FHAB CCOc1ccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1OC 3382800 VUONSAINNBFEQN-UHFFFAOYSA-N 353.374 3.615 0 40 FHAB Cc1ccc(N2C[C@@H](C(=O)N[C@@H](C)c3cccc(Cl)c3)CC2=O)cc1 12787185 CEPINYPNQJOEHX-HOCLYGCPSA-N 356.853 3.879 0 40 FHAB COc1cc(CCNC(=O)N[C@H]2CCCC[C@@H]2C)ccc1OC(F)F 12772255 ZTGBJBZMFJTCDN-JSGCOSHPSA-N 356.413 3.717 0 40 FHAB Cc1ccc([C@@H](NCc2nnnn2-c2ccccc2)c2cccs2)cc1 12809964 ULYKFFXNPVIEMM-HXUWFJFHSA-N 361.474 3.911 0 40 FHAB O=C(CSc1nncn1-c1ccccc1)N[C@@H]1CCCc2ccccc21 3405156 LRSPXCFPRNWRPN-GOSISDBHSA-N 364.474 3.553 0 40 FHAB Nn1c(SCCOc2ccccc2Cl)nnc1-c1ccccc1F 3438622 IYMLUDWAFMRUHC-UHFFFAOYSA-N 364.833 3.623 0 40 FHAB O=C(c1cc2ccccc2[nH]c1=O)N1CCC(c2nc3ccccc3o2)CC1 12923777 NQYPPYFGPVGJRV-UHFFFAOYSA-N 373.412 3.689 0 40 FHAB CC(C)c1ccc(OCC(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1 12904090 WOTYGMBPVZWFET-UHFFFAOYSA-N 352.434 3.720 0 40 FHAB Cc1cccc(C)c1-n1nnnc1SCc1noc(-c2ccsc2)n1 12922066 PPRMQCADQATTBB-UHFFFAOYSA-N 370.463 3.683 0 40 FHAB COC(=O)c1c(NC(=O)Cc2ccccc2OC)sc2c1CCCCC2 3766194 SPKMXISTEWMUDD-UHFFFAOYSA-N 373.474 3.993 0 40 FHAB CN1CCC[C@H]1c1cccnc1-n1c(-c2ccco2)nc2ccccc2c1=O 3999640 MTFLAKCMCKZOCI-SFHVURJKSA-N 372.428 3.807 0 40 FHAB biogenic COc1ccc(-c2c(C(F)(F)F)oc3cc(O)cc(O)c3c2=O)cc1 6006924 LBGLVUDKHNDQAJ-UHFFFAOYSA-N 352.264 3.899 0 40 FHAB biogenic CN(C)Cc1ccccc1CNC(=O)C(C)(C)Oc1ccc(Cl)cc1 7923966 UALVJNGZARXZGR-UHFFFAOYSA-N 360.885 3.875 0 40 FHAB CC(C)n1ncc2cc(NC(=O)[C@H]3COc4ccc(Cl)cc4C3)cnc21 17574596 DXNNLPPYKJJLMP-CQSZACIVSA-N 370.840 3.855 0 40 FHAB Cc1cc(NC(=O)[C@H](OC(=O)c2sc(C)nc2C)c2ccccc2)no1 14076148 DPQHISLRWWICOP-OAHLLOKOSA-N 371.418 3.593 0 40 FHAB O=C(Nc1c[nH]ccc1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 65539541 MXVNRMGTDZRPOQ-UHFFFAOYSA-N 350.218 3.665 0 40 FHAB CSCc1c(C(=O)N2CC(=O)Nc3ccccc32)oc2ccccc12 14201795 QQZCYQMBMNARFT-UHFFFAOYSA-N 352.415 3.895 0 40 FHAB O=C(Nc1nc(SC23CC4CC(CC(C4)C2)C3)ns1)[C@H]1CCCO1 4751721 MSOHLKKUKYHUQI-CQCMJFKXSA-N 365.524 3.717 0 40 FHAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)Nc1ccc(F)c(F)c1 5679741 XHFWOMIIXXMYLC-UHFFFAOYSA-N 371.339 3.577 0 40 FHAB CCCCOc1ccc(C(=O)N(C)CC(=O)Nc2cccc(OC)c2)cc1 5704599 HRFGBMZJPPMUPH-UHFFFAOYSA-N 370.449 3.585 0 40 FHAB Cc1ccc(C)c(Cn2nnc(C(=O)Nc3cccc(Cl)c3C)c2N)c1 4852595 MQAVNRHQGNUHIG-UHFFFAOYSA-N 369.856 3.740 0 40 FHAB CCc1ccc(-c2noc(COC(=O)c3ccc(OC)c(OC)c3)n2)cc1 6921264 SRIWHHIJKNBUFX-UHFFFAOYSA-N 368.389 3.673 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)C)ccc2C)cc1C 409380489 FNODYXBUYFQQBR-UHFFFAOYSA-N 360.479 3.551 0 40 FHAB CCn1c(-c2ccc(Br)cc2)cnc1S[C@@H]1CCOC1=O 7124487 NOFRTCPLQPBNID-CYBMUJFWSA-N 367.268 3.740 0 40 FHAB Cn1cc(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)c(C(C)(C)C)n1 92243222 HAPHHWCFBHMYDH-INIZCTEOSA-N 361.873 3.585 0 40 FHAB C[C@@H](NC(=O)CNC(=O)C1CCCCC1)c1cccc(C(F)(F)F)c1 8756140 YWFQQQIYQPGQFG-GFCCVEGCSA-N 356.388 3.579 0 40 FHAB CC(=O)Nc1cccc(C(=O)OCc2ncc(-c3ccc(F)cc3)o2)c1 9647510 DVPSOEQIVHLYOQ-UHFFFAOYSA-N 354.337 3.796 0 40 FHAB O=C(C1CCCC1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 8938866 YOPCWTHRJHRONV-UHFFFAOYSA-N 361.445 3.642 0 40 FHAB Cc1nc(C(=O)NCc2nc3ccccc3[nH]2)c(Cc2ccccc2)s1 96223864 GIUQZZOZRXVRJC-UHFFFAOYSA-N 362.458 3.849 0 40 FHAB O=C(c1ccc(CNc2ncnc3sccc23)cc1)N1CCCCC1 9517017 TVFGDYCZDWEUIO-UHFFFAOYSA-N 352.463 3.930 0 40 FHAB O=C(N[C@H]1COc2ccccc21)N1CCO[C@H](c2ccc(Cl)cc2)C1 71844079 LAUVVIOHTRLRRG-WMZOPIPTSA-N 358.825 3.557 0 40 FHAB C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cccc(Cn3cccn3)c2)c1 25134157 XZAPIBMHGNVUTI-MGPUTAFESA-N 374.444 3.778 0 40 FHAB Cc1cc(NC(=O)c2ccc3c(c2)OCCO3)ccc1-c1ccc(CO)o1 20140776 UWFRUHHOQPKYJL-UHFFFAOYSA-N 365.385 3.771 0 40 FHAB CCCCOc1ccc(C(=O)NC[C@H]2OCCc3ccccc32)cc1OC 4141832 UDZGOXCTKHYZLM-OAQYLSRUSA-N 369.461 3.918 0 40 FHAB CCn1c(Cc2ccccc2)nnc1SCc1ccc(C(=O)OC)o1 39569927 HESBJOZPMZBPST-UHFFFAOYSA-N 357.435 3.561 0 40 FHAB COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1 408628002 PGFJBFYXYTZAQP-UHFFFAOYSA-N 369.490 3.812 0 40 FHAB Cc1nc(N2CCc3ccccc3C2)ccc1CNC(=O)OC(C)(C)C 72224928 SQMSYPBXDUISRS-UHFFFAOYSA-N 353.466 3.977 0 40 FHAB Cc1nc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)n[nH]2)sc1C 72191820 ASUXYGHQQOQVKO-LLVKDONJSA-N 359.480 3.664 0 40 FHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@@H]2c1c(F)cccc1Cl 71279476 XQQYQKXWSHNUDY-JTQLQIEISA-N 365.792 3.671 0 40 FHAB COc1ccccc1Oc1nccnc1C1CCN(C2CCOCC2)CC1 72362857 CRZWVUKVBZQMIA-UHFFFAOYSA-N 369.465 3.636 0 40 FHAB CCCSc1nnc(NC(=O)[C@@H](CC)Oc2ccccc2F)s1 39989166 ZGRLEBCGANRVHL-LLVKDONJSA-N 355.460 3.975 0 40 FHAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222710441 AMTPBFOEUDIQSY-NVXWUHKLSA-N 355.434 3.801 0 40 FHAB Cc1sc2nc([C@H](C)N3C[C@@H]4CCC[C@@H]4[C@H]3C(=N)O)nc(O)c2c1C 329939747 FVVYZAYQDVVNLG-HVTMNAMFSA-N 360.483 3.711 0 40 FHAB CC(C)c1nccn1-c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1 42696969 WIPBFCXUAFUVES-IRXDYDNUSA-N 353.422 3.601 0 40 FHAB COc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCCC3)cc2)c(C)c1 224938143 KOJCFENKALMJJY-UHFFFAOYSA-N 360.479 3.713 0 40 FHAB CCCC[C@@H](CC)CNS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 225120268 SBUUIVLMVLOLGX-CQSZACIVSA-N 372.556 3.862 0 40 FHAB Cc1ccc(-c2noc(CNC(=S)Nc3ccc(F)c(F)c3)n2)cc1 225817467 FEUBNZXCVJQBFT-UHFFFAOYSA-N 360.389 3.810 0 40 FHAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1 224078335 ZMUUYUGHEZIGRR-LJQANCHMSA-N 366.505 3.809 0 40 FHAB O=C(NC[C@@]1(O)CCc2ccccc21)C1c2ccccc2Oc2ccccc21 77184920 CUKQEQNZZPQCCG-DEOSSOPVSA-N 371.436 3.874 0 40 FHAB Cc1cc(NC(=O)N[C@@H]2C[C@@H](C)n3ccnc32)cnc1N1CCCC[C@@H]1C 333294318 BFWGBDPMBFVUQM-ZMSDIMECSA-N 368.485 3.793 0 40 FHAB COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C/C=C/c1ccccc1)CC2 577183860 DVSLQTOTPIIDBC-AIADIJKESA-N 367.445 3.791 0 40 FHAB Cc1ccc(CN2CCC3(CC2)C[C@H](OCc2cccnc2)CO3)cc1 96106752 PPHMEFURWGYGDL-NRFANRHFSA-N 352.478 3.730 0 40 FHAB COc1ccc([C@H](NC(=O)Nc2ccc3c(C)n(C)nc3c2)C2CC2)cn1 529101925 DTFTUXUIZFBFHL-LJQANCHMSA-N 365.437 3.558 0 40 FHAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C3CC3)CC2)n1 257280158 OJSMYACKXYQXGW-JCNLHEQBSA-N 350.466 3.647 0 40 FHAB O=C(NC[C@H](c1ccsc1)N1CCC1)c1ccc(OC(F)(F)F)cc1 252537432 LDTYQWHEFHUTSA-OAHLLOKOSA-N 370.396 3.824 0 40 FHAB Cc1cc(CC[C@@H]2CCCN2C(=O)c2cc(CC(C)C)nn2C)ccn1 257335069 YIOFISGBRQVRBW-IBGZPJMESA-N 354.498 3.559 0 40 FHAB c1c[nH]c(-c2cncc(C[C@@H]3CCCN(Cc4ccc5cc[nH]c5c4)C3)n2)n1 257322767 WHIJFJAYSRFRRR-INIZCTEOSA-N 372.476 3.803 0 40 FHAB CCOc1cc2c(cc1NC(=O)C[C@@H]1NCc3ccccc31)O[C@H](C)C2 659267271 YUXKOLSWZVXXST-DYVFJYSZSA-N 352.434 3.582 0 40 FHAB C[C@]12COC[C@H]1CN(C(=O)N[C@H](Cc1ccccc1)c1ccccc1)C2 663470117 JKWQXTQGCRBZJP-SJBKTWHCSA-N 350.462 3.648 0 40 FHAB O=C1NCCN1c1cccc(C(=O)N2CCC[C@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)c1 1251523764 XEGHYBHRKSKRSG-CAMMJAKZSA-N 367.493 3.647 0 40 FHAB O=C(NCc1ccc(C(=O)O)cc1)Nc1cccc(C2CCOCC2)c1 630569277 POVDDTKCHMAGGP-UHFFFAOYSA-N 354.406 3.601 0 40 FHAB O=C1C[C@@]2(CCN(C(=O)c3cc(-c4ccccc4)on3)C2)Oc2ccccc21 96098335 JYSJMVQJMHVYNJ-JOCHJYFZSA-N 374.396 3.592 0 40 FHAB O=C1c2ccccc2CN1CC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 594631462 FXPUOLGHLSJOIJ-OAQYLSRUSA-N 373.456 3.878 0 40 FHAB CCOc1cc(-c2nc3cnccn3c2NCc2ccco2)ccc1O 12113829 OXOYACRPGHCWIZ-UHFFFAOYSA-N 350.378 3.706 0 40 FHAB Cc1nn(C)c(C)c1-c1cc(C(=O)NC2(c3ccccc3)CCCC2)[nH]n1 12116856 DBHHVGKABSYVQZ-UHFFFAOYSA-N 363.465 3.626 0 40 FHAB O=c1oc2ccccc2n1[C@@H]1CCCN(CC2=Cc3ccccc3OC2)C1 12119254 QYAWVMGXGZWVDK-GOSISDBHSA-N 362.429 3.707 0 40 FHAB Cc1ccc(C(=O)CCC(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1 15388711 VYWQUEPEOMTMLE-UHFFFAOYSA-N 372.852 3.708 0 40 FHAB CCN(Cc1cc(=O)n2nc(C3CC3)sc2n1)c1ccc(Cl)cc1 15731884 ZHFVOXBHWYFNOI-UHFFFAOYSA-N 360.870 3.708 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H](C)C(C)C)cc2)cc1 17055001 KPPKZUPLRWLILJ-INIZCTEOSA-N 374.506 3.594 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)c1nnc(NC(=O)[C@]2(C)CCCO2)s1 19459912 GQUUGTHALAEFMO-QFYYESIMSA-N 367.858 3.839 0 40 FHAB Cc1nonc1COc1ccccc1C(=O)Nc1nc(C(C)C)cs1 19714329 STIDFXNNPHSWEJ-UHFFFAOYSA-N 358.423 3.789 0 40 FHAB CC[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cn(C)c(=O)c2ccccc12 19716562 WRCMNHXEEJIXIS-IBGZPJMESA-N 352.409 3.901 0 40 FHAB CC(C)C(=O)N1[C@H]2CC[C@H]1c1c(nc(N(C)C)nc1Nc1ccccc1)C2 100224620 DNLQZMZRASCEHU-RDJZCZTQSA-N 365.481 3.530 0 40 FHAB Cc1csc([C@H]2CCCCN2C(=O)C[C@@H](C(=O)O)c2ccccc2)n1 634877299 KPZXBOHKMNEYCM-HZPDHXFCSA-N 358.463 3.764 0 40 FHAB CNc1cc(C[C@@H](NC(=O)C(C)C)c2cccc(C)c2)nc(C2CC2)n1 19234470 OLSXXXHUHOAZHR-GOSISDBHSA-N 352.482 3.760 0 40 FHAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)CCc2nc3ccccc3s2)[C@@H]1C 4977395 DAYBGRBVWYPODG-KFWWJZLASA-N 374.506 3.713 0 40 FHAB Fc1cc(Cl)cnc1N1CC[C@@H](Oc2ccncc2Br)C1 1888850337 DBZQCBWPRCXFLB-SNVBAGLBSA-N 372.625 3.689 0 40 FHAB C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CC[C@H]2CC[C@H]1OC2 1134796392 GCSLRLMRSDDUEU-NQZOLGFYSA-N 355.400 3.958 0 40 FHAB Cc1cnc(Nc2cccc([C@H]3CN(C(=O)C(C)(C)C)CCO3)n2)s1 2037834820 TXLPNUOFMAHVGW-CQSZACIVSA-N 360.483 3.536 0 40 FHAB Cc1cccc(CN2CCC3(CC[C@H](CNC(=O)OC(C)C)OC3)CC2)c1 2056225072 ANKBYSDVYFLGIJ-HXUWFJFHSA-N 374.525 3.891 0 40 FHAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc2ccccc2c1 5314800 ISLAAZDMQIGCGW-UHFFFAOYSA-N 366.442 3.632 0 40 FHAB Cc1cc(C(=O)N(Cc2ccco2)c2nc3ccc(F)cc3s2)nn1C 9122295 IQKOPBUXYPTIAE-UHFFFAOYSA-N 370.409 3.917 0 40 FHAB Cc1cc(C)cc(NC(=O)c2cn(C)cc3c(=O)n(-c4ccccc4)nc2-3)c1 9661355 PWIWMOBHUQFNAI-UHFFFAOYSA-N 372.428 3.545 0 40 FHAB Cc1ccc(-n2c(C)nc3ccc(NC(=O)c4ccncc4)cc3c2=O)cc1 23143786 LWJJNAUZFJZBSP-UHFFFAOYSA-N 370.412 3.650 0 40 FHAB Cc1nc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2n1 33141673 IMOXLHDBHOQACJ-UHFFFAOYSA-N 361.323 3.975 0 40 FHAB O=C(c1ccccc1Br)N1CC[C@@H](n2cnc3ccccc32)C1 575618999 YTHFUIKIKLZYEA-CYBMUJFWSA-N 370.250 3.886 0 40 FHAB O=C([C@H]1CCCN(c2ccc3ccccc3n2)C1)N1CCC(F)(F)CC1 2298212738 VJIYTPXCMTZQSF-INIZCTEOSA-N 359.420 3.709 0 40 FHAB COC(=O)c1cc(CN(C)C(=O)Nc2cccc3c2CCCC3)oc1C 40098162 LIFUOFPPBQIPBG-UHFFFAOYSA-N 356.422 3.917 0 40 FHAB CC(C)(C)c1cn2nc(NC[C@H](O)c3ccc(Cl)cc3)sc2n1 40059628 UWXUEHNSTVOXHI-LBPRGKRZSA-N 350.875 3.887 0 40 FHAB O=C(C[C@H]1CC[C@H](C(=O)O)CC1)c1ccc(I)cc1 100449849 QNWLQUZPADJNLK-KLPPZKSPSA-N 372.202 3.755 0 40 FHAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N(C)Cc1ccc(C(C)(C)C)cc1 16374095 AYPZPXCOIDMIGV-MRXNPFEDSA-N 356.514 3.793 0 40 FHAB Cc1c(NC(=O)c2ccc3ccccc3c2)c(=O)n(-c2ccccc2)n1C 662723 GAWSGYUIBWSOQO-UHFFFAOYSA-N 357.413 3.890 0 40 FHAB CCOc1cc(Br)nc(Br)c1Br 704330 YGKXEDSPPBEENK-UHFFFAOYSA-N 359.843 3.768 0 40 FHAB Cc1c(Cl)cccc1NCC(=O)Nc1ccc(N2CCCC2=O)cc1 11549341 KJZYRYOEJKRUFM-UHFFFAOYSA-N 357.841 3.826 0 40 FHAB CCCc1nnc(SCC(=O)Nc2nc3ccccc3s2)n1CC 1355955 MTWFBZPWNNVOEI-UHFFFAOYSA-N 361.496 3.591 0 40 FHAB CCCOc1cccc(C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)c1 1865877 OXZVHGTUUMHFOY-UHFFFAOYSA-N 372.534 3.904 0 40 FHAB Cc1onc(-c2ccccc2)c1C(=O)N1CCN(c2ccccc2F)CC1 2562128 GOEPFJGUMPLVOG-UHFFFAOYSA-N 365.408 3.752 0 40 FHAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2F)n1C 2546055 HVJPOBPTTBBXRE-UHFFFAOYSA-N 370.453 3.969 0 40 FHAB CCOc1ccc(CNC(=O)c2nnn(-c3ccc(Cl)cc3)c2C)cc1 51318094 BAIYUUFYJYGZKP-UHFFFAOYSA-N 370.840 3.558 0 40 FHAB Cc1c(C(=O)N[C@H](C)CCc2ccccc2)nnn1-c1ccc(Cl)cc1 51318153 AXOSXHGWUNPLRK-CQSZACIVSA-N 368.868 3.980 0 40 FHAB CCCN1C(=O)c2[nH]nc(-c3ccc(F)cc3)c2[C@H]1c1cccc(O)c1 6747864 BVUVLUHOYOLJQR-LJQANCHMSA-N 351.381 3.877 0 40 FHAB COc1ccc(Cl)cc1NC(=O)COc1ccc(C(C)=O)cc1OC 6790418 DHFAPZBBBXLICC-UHFFFAOYSA-N 363.797 3.577 0 40 FHAB CCc1cccc(C)c1NC(=O)COC(=O)CSCc1ccccc1 7787048 OROAQXKBWWOEPG-UHFFFAOYSA-N 357.475 3.973 0 40 FHAB CCOc1cc(/C=C/C(=O)Nc2cc(C(=O)OC)ccc2C)ccc1OC 7801251 PQWFPDQSQQLTTN-DHZHZOJOSA-N 369.417 3.841 0 40 FHAB Cc1cccc(OCC(=O)N2CCCC[C@H]2CCN2CCCCC2)c1C 21170563 GCJGRIODXYCGKC-FQEVSTJZSA-N 358.526 3.939 0 40 FHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)Cc1ncc(C(C)(C)C)o1 32825200 HPCNJFWZEHWFIG-UHFFFAOYSA-N 374.872 3.884 0 40 FHAB CCCOc1ccc2cc(S(=O)(=O)NCc3ccccn3)ccc2c1 16625918 PMCPWCLRIILPBP-UHFFFAOYSA-N 356.447 3.502 0 40 FHAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Nc1cccc(C(=O)NC)c1 33040134 OFQUUWGLEYHEDL-CABCVRRESA-N 353.466 3.999 0 40 FHAB Cc1ccc(N2N=C([N+](=O)[O-])[C@@H](c3ccco3)N[C@@H]2c2ccco2)cc1 21947016 MDKVOPKYHWFPMG-SJORKVTESA-N 352.350 3.621 0 40 FHAB Cc1ccc2nc(COC(=O)c3csc4c3CC[C@@H](C)C4)cc(=O)n2c1 21999352 LIKDXLQTKPINLP-GFCCVEGCSA-N 368.458 3.546 0 40 FHAB CC(C)Oc1ccc([C@H](O)CCN[C@@H](CC(=O)O)c2ccccc2)cc1 27517022 BGWKFZXBUYGAAT-VQTJNVASSA-N 357.450 3.703 0 40 FHAB NC(=O)c1ccsc1NC(=O)COc1ccc(-c2ccccc2)cc1 2627585 UNPAJLRECSOMNG-UHFFFAOYSA-N 352.415 3.532 0 40 FHAB O=C(NC(=S)Nc1cccc(-c2ccc(CO)o2)c1)c1ccccc1 20509087 IWYASZOUEDNUBR-UHFFFAOYSA-N 352.415 3.566 0 40 FHAB CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2F)c(Cl)c1 20108012 JKMMLAMVCRJBML-UHFFFAOYSA-N 371.817 3.598 0 40 FHAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc2c(c1)NC(=O)CO2 22384715 YSCBCZKFVQMASK-UHFFFAOYSA-N 371.443 3.763 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(N(C)C)cc3)o2)cc1 778576 CASAOQLGMXRSIF-UHFFFAOYSA-N 368.462 3.842 0 40 FHAB C[C@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1cccnc1 22692850 OOGCSKOHKVCPDM-LBPRGKRZSA-N 356.813 3.595 0 40 FHAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(C)CC2)cc1Cl 22795630 HWHJYDRBXYFHBB-LJQANCHMSA-N 357.885 3.576 0 40 FHAB Cc1nnc([C@H]2Cc3ccccc3CN2Cc2cn3cccc(C)c3n2)o1 58428035 OXCVMQITNOLELV-LJQANCHMSA-N 359.433 3.634 0 40 FHAB O=C(CSCc1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1 27762079 MRHYXBUQVLPUOG-UHFFFAOYSA-N 360.454 3.534 0 40 FHAB CCN(Cc1ccc(OC)c(F)c1)[C@H](C)C(=O)Nc1ccccc1OC 8133635 VBYHMADNXNKWIS-CQSZACIVSA-N 360.429 3.692 0 40 FHAB CN(CCCOc1ccccc1)CCN(C)CCCOc1ccccc1 22581211 LYXARFOCZSZJSP-UHFFFAOYSA-N 356.510 3.788 0 40 FHAB COC(=O)c1c(C)nsc1NC(=O)N1CCC[C@@H]1c1ccc(F)cc1 56321305 BSKICBMMAVCZCG-CYBMUJFWSA-N 363.414 3.746 0 40 FHAB CC(C)C(=O)N1CCN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1 17701745 RSXUFMSZYAWESI-UHFFFAOYSA-N 370.424 3.558 0 40 FHAB CCOc1ccc(N2C(=O)C[C@H](Nc3ccc(SC)cc3)C2=O)cc1 12545889 OOPNNVBELGSYOK-KRWDZBQOSA-N 356.447 3.551 0 40 FHAB CCN1CCN(c2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2C)CC1 12554589 HFIAAHHMJUQZKJ-GOSISDBHSA-N 367.493 3.543 0 40 FHAB COc1cc([C@H](C)NC(=O)CCc2ccccn2)ccc1OCC(C)C 58015793 FBIVVEBLCSIEID-INIZCTEOSA-N 356.466 3.935 0 40 FHAB CN(C[C@@H]1CCCN(C(=O)c2cccc(F)c2)C1)C(=O)OC(C)(C)C 58182442 NTXWGPLGXPMXHW-AWEZNQCLSA-N 350.434 3.545 0 40 FHAB CC(C)(C)c1nnc(NC(=O)c2csc(NCc3ccco3)n2)s1 44890472 NZHUEHZNNPWSIR-UHFFFAOYSA-N 363.468 3.750 0 40 FHAB CCCOC(=O)c1ccc(NC(=O)CCC(=O)Oc2ccc(C)cc2)cc1 2134408 LUVPEOIASZQLGM-UHFFFAOYSA-N 369.417 3.886 0 40 FHAB O=C(NCc1ccncc1)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 12516106 NXPQJXHBYSZLLR-UHFFFAOYSA-N 364.424 3.605 0 40 FHAB CSc1nnc(Cn2cnc3scc(-c4ccccc4)c3c2=O)s1 58208872 DABRZBLLEZIAMY-UHFFFAOYSA-N 372.500 3.747 0 40 FHAB CCCOc1cccc(C(=O)NC[C@@H](c2ccccc2OC)N(C)C)c1 27992473 QGEVGCSMAOEWIS-IBGZPJMESA-N 356.466 3.517 0 40 FHAB biogenic O=C(O[C@@H]1CCCCC1=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 10649978 AMVUMKPBUBFRKN-GOSISDBHSA-N 356.397 3.559 0 40 FHAB O=C(CSc1nc(C2CC2)nc2ccccc12)NCCc1ccccc1 10939560 PFACCZGXPDMGMO-UHFFFAOYSA-N 363.486 3.958 0 40 FHAB Cc1cccc(-n2ncc(C(=O)Nc3ccc(N4CCCC4=O)cc3)c2C)c1 12854204 LUBUGCVDXOAEAH-UHFFFAOYSA-N 374.444 3.868 0 40 FHAB O=C1COc2ccc(-c3csc(NC(=O)C4CCCCC4)n3)cc2N1 13086202 JGGDYFLMZRVJDV-UHFFFAOYSA-N 357.435 3.660 0 40 FHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN(C)Cc2ccco2)cs1 13003718 QQEKFDOVDYIWGY-UHFFFAOYSA-N 367.474 3.733 0 40 FHAB CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(C)c2)n2ncnc2N1 3907209 OGTPAIUHNPCRKE-SFHVURJKSA-N 352.438 3.751 0 40 FHAB CCn1c(CNC(=O)c2ccc(N3CCC(C)=N3)cc2)nc2ccccc21 49602259 NJYTUBOWAGERNY-UHFFFAOYSA-N 361.449 3.572 0 40 FHAB CN(C)C(=O)N1CCC(C(=O)N(C)c2ccccc2-c2ccccc2)CC1 64815150 MKISNAOMWUUDBV-UHFFFAOYSA-N 365.477 3.710 0 40 FHAB C[C@@H](NC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 6129686 OMHWEEPADSXJDX-MRXNPFEDSA-N 364.445 3.720 0 40 FHAB COc1ccc2cc(C(=O)Nc3cccc(S(C)(=O)=O)c3)ccc2c1 14139003 NYOCUYHKBDDZFF-UHFFFAOYSA-N 355.415 3.504 0 40 FHAB COc1ccccc1CN(C)C(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O 14254530 FFVABPHQAVRHBC-HXUWFJFHSA-N 364.445 3.618 0 40 FHAB CCCCN1C(=O)[C@](O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21 4784347 NOTFKZGFLWFQGP-FQEVSTJZSA-N 357.837 3.947 0 40 FHAB CCc1c(C)c2ccc3c(c2oc1=O)CN(c1cccc(C(=O)O)c1)CO3 6785152 JQOBRGPXWZLTTH-UHFFFAOYSA-N 365.385 3.719 0 40 FHAB O=C(Cn1c(=O)oc2ccccc21)Nc1cc(C(F)(F)F)ccc1Cl 9038891 NBRKFYGPUQXUJO-UHFFFAOYSA-N 370.714 3.905 0 40 FHAB CCOc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Cl)c1OCC 4973801 KSAZJZUCHCGKLJ-UHFFFAOYSA-N 361.829 3.919 0 40 FHAB CC1(C)CC(=O)C2(Cc3ccc(Cl)cc3N3CCSC[C@H]32)C(=O)C1 4915419 WLGCNYMBLRQAKW-HNNXBMFYSA-N 363.910 3.763 0 40 FHAB COc1ccc(OC)c(-c2nc(NC(=O)c3ccccn3)sc2C)c1 408822087 AJLQTFRFPJIITM-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB COc1ccc(C)cc1NC(=O)CSc1nc(-c2ccccc2C)n[nH]1 7341997 LLFYSSXLCXAKMN-UHFFFAOYSA-N 368.462 3.828 0 40 FHAB C[C@@H](OC(=O)C1c2ccccc2Oc2ccccc21)C(=O)NC(C)(C)C 15705378 JWALVLLEBAOELO-CYBMUJFWSA-N 353.418 3.771 0 40 FHAB O=C(Cn1c(=O)oc2ccccc21)Nc1c(Cl)cccc1C(F)(F)F 8924310 AGYBELVKNWUXOR-UHFFFAOYSA-N 370.714 3.905 0 40 FHAB CCc1ccc(-c2nc(C)c(C(=O)O[C@@H](C)C(=O)N3CCCC3)s2)cc1 7722378 YPRJTOPPOSWQSJ-AWEZNQCLSA-N 372.490 3.849 0 40 FHAB O=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)c1cccc(-n2ccnc2)n1 96008228 JXMPOBPHEPDWRR-IUODEOHRSA-N 373.243 3.860 0 40 FHAB CCN1CCN(c2ccc(NC(=O)CSc3ccccc3)cc2C)CC1 9368802 AGUQFKJZKFLNRN-UHFFFAOYSA-N 369.534 3.868 0 40 FHAB CC(C)c1ccc(C(=O)NCCNC(=O)c2ccc3ccccc3n2)cc1 9481796 ZQAVLQHOAWCTNN-UHFFFAOYSA-N 361.445 3.518 0 40 FHAB CC(C)(C)c1cc(NC(=O)CSc2nnc(-c3ccccc3)o2)on1 9885006 SLYVCQHYHONZLA-UHFFFAOYSA-N 358.423 3.753 0 40 FHAB CC[C@H](NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)[C@H]1CCOC1 72297015 SZMBHYDSYRZMFL-ICSRJNTNSA-N 366.461 3.508 0 40 FHAB CC(C)COc1ccccc1CN1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 72313445 FWVREBZTPJUEIR-OYRHEFFESA-N 373.585 3.712 0 40 FHAB COC(=O)c1cc2ccccc2nc1N1CCO[C@@H](c2cccc(F)c2)C1 78658483 XWIFHVKXOYGMDO-LJQANCHMSA-N 366.392 3.738 0 40 FHAB c1ccc(Cc2noc(CN3CCC[C@@H](CN4CCCCCC4)C3)n2)cc1 84541527 SORIIDNEVXWSKS-FQEVSTJZSA-N 368.525 3.748 0 40 FHAB COc1cc(CN(C)[C@H]2CCN(c3ccccc3F)C2=O)ccc1SC 79027761 DFQHYPAHKSCGFB-KRWDZBQOSA-N 374.481 3.794 0 40 FHAB Cc1nc2ccc(NC(=O)CSC(=S)N3CCC(C)CC3)cc2o1 74213192 OJGAAUXTOJZJRY-UHFFFAOYSA-N 363.508 3.825 0 40 FHAB CC[C@@H](C)NC(=O)c1ccc(Cn2nc(C)c(Br)c2C)cc1 28576867 ROABMSCWWGOJCY-LLVKDONJSA-N 364.287 3.839 0 40 FHAB Cc1ccc(C)c(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)c1 219076658 CLJKXIINJXVVES-MRXNPFEDSA-N 365.433 3.779 0 40 FHAB Cn1cnnc1SCC(=O)Nc1ccc(/C=C\c2ccccc2)cc1 4565483 QLNFSIVFURVOSV-FPLPWBNLSA-N 350.447 3.716 0 40 FHAB CSc1ncc(CN2C[C@@H]3CCC[C@](O)(c4ccc(C)cc4)[C@H]3C2)cn1 72340460 KNBCWMOYTUBDJR-CUWPLCDZSA-N 369.534 3.627 0 40 FHAB Nc1c(Br)cc2nc(-c3cccnc3)oc2c1Br 70461400 FMXRYRPAROEAOR-UHFFFAOYSA-N 369.016 3.997 0 40 FHAB O=C(Cc1cn2ccsc2n1)N(Cc1c(F)cccc1Cl)C1CC1 32903972 YCWOBPFOONCSPT-UHFFFAOYSA-N 363.845 3.922 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1 219527212 SDNLDUQWPWRSQN-SJORKVTESA-N 357.450 3.663 0 40 FHAB Cc1ccc(NC(=O)COc2cc(C)nc(N3CCC[C@H](C)C3)n2)c(C)c1 44168364 GKIWRCGCYYXSMS-HNNXBMFYSA-N 368.481 3.656 0 40 FHAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)[nH]1 224586382 WZBGOXUVGUPADG-RBUKOAKNSA-N 364.474 3.904 0 40 FHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCOc1ccc(OC)cc1 224467648 SRVUCJTXEFYSHO-LJQANCHMSA-N 357.450 3.665 0 40 FHAB COc1ccc(NC(=S)NCCCOC2CCCC2)c2cccnc12 225621140 SNLSMAMMUGHVMU-UHFFFAOYSA-N 359.495 3.879 0 40 FHAB Cc1noc([C@H]2CCCN([C@H](C(=O)O)c3cccc(Cl)c3Cl)C2)n1 570730127 PKLNMNVANBMOIC-HZMBPMFUSA-N 370.236 3.690 0 40 FHAB CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1Cl 224698137 VYYLXAAVHKPYBH-UHFFFAOYSA-N 367.854 3.650 0 40 FHAB CCN(CC)CCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1 225640217 XBWKGIRCWAPTQV-UHFFFAOYSA-N 362.514 3.941 0 40 FHAB CCc1ccc(OCC(=O)Nc2ccc3c(c2)sc(=O)n3CC)cc1 225102110 YAOMKLLJUDVJKL-UHFFFAOYSA-N 356.447 3.663 0 40 FHAB O=C(c1cc(-c2ccnn2C2CCCC2)n2ccccc12)N1CCCO1 96037928 GVCALPCOWSEWSK-UHFFFAOYSA-N 350.422 3.695 0 40 FHAB COC(=O)c1cc(NC(=O)c2cc(Cl)c(Cl)n2C)c(F)cc1F 97211275 BAPGQSJYLIIOKZ-UHFFFAOYSA-N 363.147 3.649 0 40 FHAB Cc1ccnc(C)c1NC(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 332542918 YDIVRRSMRUXPBL-HOTGVXAUSA-N 353.466 3.560 0 40 FHAB CCC(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC1CCC1)c1ccccc12 96242148 PJIPEUDQLFZKNB-MRXNPFEDSA-N 354.494 3.503 0 40 FHAB O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 244211064 VUGDGNIIEZSKIM-UHFFFAOYSA-N 360.816 3.970 0 40 FHAB Cc1cccc(N2CCC(N(CCc3ccc(F)cc3)CC(=O)O)CC2)c1 257274458 NLDFLIHJQVRUEL-UHFFFAOYSA-N 370.468 3.732 0 40 FHAB C[C@@H](CN(C)[C@H](C(=O)O)c1ccccc1Br)c1nccs1 659787377 HEEJLWGZDZLKBM-GWCFXTLKSA-N 369.284 3.767 0 40 FHAB OC[C@@H](CN[C@@H](c1ccc(F)cc1)c1ncc[nH]1)c1ccc(Cl)cc1 672619770 DTSBQROMMLYXFY-QAPCUYQASA-N 359.832 3.657 0 40 FHAB CCc1cc(Br)c(CN[C@@H]2C[C@@H]3C[C@@H](C(=O)O)C[C@@H]32)s1 1776958546 DDJPBJCTBVQIBG-IZWKTGJZSA-N 358.301 3.662 0 40 FHAB O=C(NCc1cccc2ccccc12)Nc1cnn(C2CCOCC2)c1 96104621 FJJALURIAVDOEW-UHFFFAOYSA-N 350.422 3.710 0 40 FHAB CC1(C)CCC(N2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)CC1 585281231 HPUIUSTUBBPBDF-FQEVSTJZSA-N 367.917 3.751 0 40 FHAB Cc1ccc(C)c(OC2CCN(Cn3ncc4ccccc4c3=O)CC2)c1 57104897 ARXSFUSDGFZRLV-UHFFFAOYSA-N 363.461 3.514 0 40 FHAB CC(=O)c1ccc(-c2ccc(C(=O)N[C@H]3CCCCC34OCCO4)o2)cc1 89331198 VKICDYKPISWWQT-IBGZPJMESA-N 369.417 3.565 0 40 FHAB COc1ccc(/N=C/c2cc(Br)ccc2OCC(=O)O)cc1 8116464 FMIDGMSXXJKQIA-GIJQJNRQSA-N 364.195 3.672 0 40 FHAB COc1ccc2nc(N(CCN(C)C)C(=O)c3cccc(C)c3)sc2c1 5115051 ZRYUUZNJZRUYAO-UHFFFAOYSA-N 369.490 3.822 0 40 FHAB O=C(Nc1ccc2c(c1)N1CCN=C1S2)c1cc2cc(F)ccc2[nH]1 5325296 YMGHOICWWOLPGV-UHFFFAOYSA-N 352.394 3.841 0 40 FHAB COc1ccccc1C1(NC(=O)CCn2nc(C)c(C)c2C)CCCC1 12197447 XTXSRXVCWQALRN-UHFFFAOYSA-N 355.482 3.793 0 40 FHAB CN(C)[C@H](CNC(=O)c1cc(C2CCCCC2)no1)c1ccc(F)cc1 12198433 SRBXJRXGALSVKF-GOSISDBHSA-N 359.445 3.894 0 40 FHAB CCc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1CC 13992491 DRSXJFIPRXZNIR-UHFFFAOYSA-N 359.282 3.898 0 40 FHAB CC(=O)Nc1cccc(C(=O)/N=c2\sccn2Cc2ccc(C)cc2)c1 15652053 UXSVJPHQUUWXIC-XDOYNYLZSA-N 365.458 3.606 0 40 FHAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2cc3ncccc3[nH]2)CC1 19077980 IOSZSOKIBCDZBE-AWEZNQCLSA-N 367.424 3.876 0 40 FHAB CN1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)c1cccnc1 19590817 LOTGOKQOXWJYIZ-HBMCJLEFSA-N 367.468 3.703 0 40 FHAB CCc1n[nH]c(-c2cc(NCCc3ccccc3OC)nc(C)n2)c1C 19717911 DWEMEAZYHNKCTH-UHFFFAOYSA-N 351.454 3.709 0 40 FHAB C[C@@H](CN(C)C(=O)CC1CCN(Cc2ccccn2)CC1)c1ccccc1 19748799 NVAGGLWFPRKLLF-IBGZPJMESA-N 365.521 3.946 0 40 FHAB Cc1cc(Br)cc(C)c1NC(=O)c1cc(N)ccc1N(C)C 226324307 SPUDERNLDGHEPS-UHFFFAOYSA-N 362.271 3.966 0 40 FHAB COC(=O)[C@H]1CC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1 226318173 MYZNBDAUEYIMSW-ATFGOMPUSA-N 353.462 3.680 0 40 FHAB CC(C)Sc1ccc(CC(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)cc1 245053684 PGCAZBZSOFQJEL-KRWDZBQOSA-N 370.522 3.672 0 40 FHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1nccs1 10134891 WTEXCYKXKITTDJ-UHFFFAOYSA-N 351.435 3.527 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(Oc3ncccn3)c2)c1 32091170 STTICAPDKBUGSS-UHFFFAOYSA-N 355.419 3.687 0 40 FHAB O=C(N1CCCC1)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN1 953083732 YSDXUJWKODZSNF-JOCHJYFZSA-N 352.453 3.780 0 40 FHAB Cc1nc2sccn2c1-c1nc(-c2ccc3c(c2)NC(=O)CO3)cs1 33782162 RMFJVYQHWNFVSQ-UHFFFAOYSA-N 368.443 3.826 0 40 FHAB COCCNC[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 2339767 DSIQFIHYYDCOLI-CQSZACIVSA-N 367.276 3.698 0 40 FHAB COc1ccc(NC(=O)CSc2nccn2-c2cccc(C)c2)cc1 2723016 IZEUVGHWAMCKOV-UHFFFAOYSA-N 353.447 3.920 0 40 FHAB COc1ccc(CCNC(=O)CSc2c[nH]c3ccccc23)cc1OC 3582084 GLNGXKZLIXRGDR-UHFFFAOYSA-N 370.474 3.636 0 40 FHAB O=C(COc1ccc(F)cc1)NCCc1csc(-c2ccc(F)cc2)n1 5137419 RKAPCWHHCDZYHT-UHFFFAOYSA-N 374.412 3.826 0 40 FHAB COc1cccc(NC(=O)c2cccn(Cc3cc(C)ccc3C)c2=O)c1 5270013 WIZYYTKKSWXOEU-UHFFFAOYSA-N 362.429 3.774 0 40 FHAB COc1ccc(C(=O)Nc2ccc(N3CCCCC3=O)c(C)c2)cc1OC 5441394 KYTVBAKGFOFAMD-UHFFFAOYSA-N 368.433 3.781 0 40 FHAB CC(C)c1nccn1CC1CN(C(=O)c2ccc(OC(F)(F)F)cc2)C1 1889888641 VHIJIEBQECBTQT-UHFFFAOYSA-N 367.371 3.677 0 40 FHAB CCc1nc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)sc1C 40118996 ATUJZHNOQMVQJH-UHFFFAOYSA-N 363.508 3.566 0 40 FHAB O=C(Nc1ccc2c(c1)CCO2)c1cnn(Cc2ccccc2Cl)c1 31374494 DCPMJVOOPNJZOZ-UHFFFAOYSA-N 353.809 3.772 0 40 FHAB O=C(c1ccc(Cn2cncn2)cc1)N1CCC(CCc2ccccc2)CC1 11282295 NGGZFPXNSQKATD-UHFFFAOYSA-N 374.488 3.811 0 40 FHAB CCN(C(=O)Cc1ccc(OC)c(OC)c1)c1nc2ccccc2s1 36729041 VEMNQFOUDCWFKF-UHFFFAOYSA-N 356.447 3.909 0 40 FHAB Cc1cc2cc3c(cc2nc1SCC(=O)N1CCCCCC1)OCO3 930045 BHZRBEQNXNBFPX-UHFFFAOYSA-N 358.463 3.767 0 40 FHAB Cc1ccc(N2C(=O)N(c3ccc(C)cc3)[C@]3(SC=NN3C)C2=O)cc1 1620849 AYWHLUFQWFIPTF-IBGZPJMESA-N 366.446 3.552 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H](Cc1ccccc1)C(=O)O 2403254 GDTCIMYEJLYEBZ-AWEZNQCLSA-N 353.205 3.811 0 40 FHAB O=C(c1ccccc1Cl)N1N=C2CCCCC[C@@H]2[C@]1(O)C(F)(F)F 4163600 LETUVIFYFAIFPM-NHYWBVRUSA-N 360.763 3.983 0 40 FHAB CCc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O 4885023 OSHOYZCMPASGQI-UHFFFAOYSA-N 372.490 3.657 0 40 FHAB CN(C)c1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1 6319895 UNJAEGDWADUFLQ-UHFFFAOYSA-N 367.232 3.855 0 40 FHAB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)C(F)(F)F 57316780 YLCSAYOXGHENLG-UHFFFAOYSA-N 354.719 3.883 0 40 FHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)/N=c1/sccn1C 29650170 JVVBCJGZJFFOSR-OBGWFSINSA-N 351.790 3.584 0 40 FHAB CCCCn1nccc1NC(=O)c1cccc(Cn2nc(C)cc2C)c1 60300733 ONEUXGSKUIRLOZ-UHFFFAOYSA-N 351.454 3.797 0 40 FHAB COC(=O)c1cc(NCc2cc(=O)oc3c(C)c(C)ccc23)ccc1F 32803956 HHGZEXMWTJHTPT-UHFFFAOYSA-N 355.365 3.948 0 40 FHAB Cc1cc2cc(NC(=O)CCC(=O)c3ccc4c(c3)OCCO4)ccc2[nH]1 46367066 BLKJTSKXTKAKHO-UHFFFAOYSA-N 364.401 3.849 0 40 FHAB CCN(c1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1)S(C)(=O)=O 10008571 LMPNQEGAXKBIGJ-UHFFFAOYSA-N 366.870 3.687 0 40 FHAB Cc1ccc(SCCC(=O)N2CCN(c3ccccc3F)CC2)cc1 640098 ZUXSUQKGEMTSKC-UHFFFAOYSA-N 358.482 3.965 0 40 FHAB CCN(C(=O)CCn1cnc2sc(C)c(C)c2c1=O)C1CCCCC1 22534187 LNCDDRVQYAYATO-UHFFFAOYSA-N 361.511 3.646 0 40 FHAB O=C(CSc1nc2ccccc2s1)OCC(=O)c1ccc(F)cc1 715635 PXYJEBMMOAIAKS-UHFFFAOYSA-N 361.419 3.954 0 40 FHAB CCOC(=O)c1sc2ncn(Cc3ccc(Cl)cc3)c(=O)c2c1C 783701 KFBLDYDAMIECNL-UHFFFAOYSA-N 362.838 3.645 0 40 FHAB CC(C)N1C[C@H](C(=O)NCCC(c2ccccc2)c2ccccc2)CC1=O 105633960 ZWMKXECJXYANQB-HXUWFJFHSA-N 364.489 3.582 0 40 FHAB O=C(COc1ccc(Br)cc1F)c1ccc2c(c1)CCO2 22988116 SPGRJYWDOSQLJQ-UHFFFAOYSA-N 351.171 3.785 0 40 FHAB Cc1nccn1-c1ccc(CNC(=O)COc2ccc(Cl)cc2)cc1 20104694 QQSDKJFSJSKOEH-UHFFFAOYSA-N 355.825 3.529 0 40 FHAB O=C(N[C@H](c1ccccc1)C1CCC1)N1CCN(c2cccc(O)c2)CC1 105249359 ZBGATVBNPLHWND-OAQYLSRUSA-N 365.477 3.765 0 40 FHAB CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(Oc3ccc(F)cc3)coc2c1 1272222 GPGCWKNUUKDTHT-UHFFFAOYSA-N 372.304 3.575 0 40 FHAB biogenic C[C@H]1Oc2ccccc2N(CCC(=O)N2CCC[C@@H]2C2CCCCC2)C1=O 55599966 VUBGLYKUTPAHFZ-SJLPKXTDSA-N 370.493 3.762 0 40 FHAB COc1ccc([C@@H](CC(=O)OCc2ccc(SC)cc2)NC(C)=O)cc1 25546663 DXSHPCXQTNPDQH-LJQANCHMSA-N 373.474 3.728 0 40 FHAB O=C(COC(=O)c1ccc(Br)cc1)Nc1ccc(Cl)cc1 1934047 CEOGQNJBPJWMKJ-UHFFFAOYSA-N 368.614 3.898 0 40 FHAB O=C(CCCCC(=O)Nc1cccnc1Cl)Nc1cccnc1Cl 2086448 ONJLKKJHMOYOKL-UHFFFAOYSA-N 367.236 3.921 0 40 FHAB Cc1ccc(-c2nnc(S)n2CC(=O)N(C)C2CCCCCC2)cc1 58391688 CULXEHZIJKQOIA-UHFFFAOYSA-N 358.511 3.723 0 40 FHAB CSc1ccc(Cl)c(C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)c1 3289703 WCPPMXNMIUNZOP-IAQYHMDHSA-N 355.887 3.914 0 40 FHAB CCCn1c(O)nnc1SCC(=O)N[C@@H](C)c1ccc2ccccc2c1 10438715 QBKZYTJVSQLZTL-ZDUSSCGKSA-N 370.478 3.516 0 40 FHAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 7735335 QQSVXGSVFODKLZ-CQSZACIVSA-N 355.463 3.850 0 40 FHAB CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(OC)cc3)ccc12 2239864 JBRXOOYKYJUOMG-UHFFFAOYSA-N 367.401 3.772 0 40 FHAB Cc1nc2ccc(C(=O)N[C@@H](C)COc3ccc(F)cc3F)cc2nc1C 58407591 BXNWCDCKDPPVJY-NSHDSACASA-N 371.387 3.722 0 40 FHAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccnn1Cc1ccccc1 28291300 BFKZGIODCXTBFM-CQSZACIVSA-N 355.825 3.991 0 40 FHAB CCc1ccc(OCC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)cc1 28243184 YWDAIUUAMJBFEY-UHFFFAOYSA-N 353.397 3.900 0 40 FHAB COC(=O)c1c(C)cccc1NC(=O)Cc1cccc(C(F)(F)F)c1 11058273 JOTGCXNSLAHBML-UHFFFAOYSA-N 351.324 3.982 0 40 FHAB COc1ccccc1Nc1nc(N)nc(CSc2ncccc2Cl)n1 11034041 ITLZOZZRQFSRKR-UHFFFAOYSA-N 374.857 3.547 0 40 FHAB COc1cc(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)ccc1C 7825051 QVEPZYAGVXBKOW-UHFFFAOYSA-N 363.461 3.795 0 40 FHAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(C(=O)c2ccco2)C1 12953077 XLRJOWDWYVBGNW-NSHDSACASA-N 350.777 3.563 0 40 FHAB O=c1c(Cl)c(Oc2ccc(-c3nnco3)cc2)cnn1-c1ccccc1 7984082 SNKRWHNAXXMFED-UHFFFAOYSA-N 366.764 3.728 0 40 FHAB Cc1ccc2nc(CN[C@@H](c3ccccc3)c3cccs3)cc(=O)n2c1 7924455 BEUFEWSAFOVRGO-NRFANRHFSA-N 361.470 3.944 0 40 FHAB O=C(Cc1ccc2c(c1)CCCC2)Nc1ccccc1N1CCOCC1 8133756 VTKNZZJELDTVNU-UHFFFAOYSA-N 350.462 3.583 0 40 FHAB COc1cc(C(=O)c2c[nH]c(-c3ccc(C)cc3)n2)cc(OC)c1OC 64513821 NQHVDNDKHQBFKP-UHFFFAOYSA-N 352.390 3.642 0 40 FHAB COc1cccc(C(=O)O[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)c1O 39489282 LAZUZELDYXGJFD-LBPRGKRZSA-N 353.374 3.619 0 40 FHAB CCC[C@@H](C)NC(=O)Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O 6115237 MACFTSWLAADYDQ-CYBMUJFWSA-N 369.490 3.738 0 40 FHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc2ccccc2n1 8285223 HTOUTUXGXZGNPG-UHFFFAOYSA-N 353.809 3.599 0 40 FHAB CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2F)CC1 5200844 ZRHCHVXZADHDCU-UHFFFAOYSA-N 365.811 3.622 0 40 FHAB COc1ccc(Cl)cc1NC(=O)C[C@H](NC(C)=O)c1cccs1 14092930 UJIYJAFFXVJKHR-ZDUSSCGKSA-N 352.843 3.616 0 40 FHAB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1cc(Cl)cc2c1OCOC2 65562527 UBZDVJPXAZTFDY-SJKOYZFVSA-N 372.852 3.574 0 40 FHAB O=C(c1c(Cl)nc2ccccn12)N1CCC(Nc2ccc(F)cc2)CC1 65522047 UBIHKADLAYFHRV-UHFFFAOYSA-N 372.831 3.844 0 40 FHAB O=C(NCc1ccccc1CN1CCCC1)c1ccc(Br)o1 14164574 HARPPEALQHZDDN-UHFFFAOYSA-N 363.255 3.568 0 40 FHAB C[C@@H](OC(=O)c1cc(Br)c[nH]1)C(=O)Nc1ccccc1Cl 14198413 ZGKUXDBJRDTKTC-MRVPVSSYSA-N 371.618 3.615 0 40 FHAB CCOC(=O)N1CCC(NC(=O)c2cccc(-c3cccs3)c2)CC1 4548943 XATPGXKQJGGYMT-UHFFFAOYSA-N 358.463 3.766 0 40 FHAB Cc1ccc(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 8303356 LDCPFWRFRKGWJH-UHFFFAOYSA-N 364.367 3.653 0 40 FHAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1c(Cl)cccc1Cl 14238679 WGOKCNKJDKTLAL-AWEZNQCLSA-N 355.221 3.669 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2Br)cc1 14232807 VXJAFLQCNDIEKZ-UHFFFAOYSA-N 372.259 3.717 0 40 FHAB CC(=O)c1ccc(NC(=O)COC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 6514887 WTWVDANQQTVMFQ-UHFFFAOYSA-N 369.461 3.977 0 40 FHAB Cc1c(-c2cc(-c3cnn(C)c3C)n(-c3cccc(Cl)c3)n2)cnn1C 17075363 IZBFXIFBKUSYBR-UHFFFAOYSA-N 366.856 3.944 0 40 FHAB Cc1nn(C)c(C)c1CC(=O)NCC(C)(c1ccccc1)c1ccccc1 22974414 ARWIEFXJOOWLLV-UHFFFAOYSA-N 361.489 3.702 0 40 FHAB CCOC(=O)C1=C(C)N(CC)C(=O)N[C@H]1c1cccc(C(F)(F)F)c1 5708607 AORPYGDKXYYBON-AWEZNQCLSA-N 356.344 3.629 0 40 FHAB CCCOCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1)C2 4910680 RPQSNLFXWXDAJV-MRXNPFEDSA-N 355.434 3.819 0 40 FHAB S=C(SCc1nnc(-c2ccc(Br)o2)o1)N1CCCC1 15411623 HITUWBZYJJNVMC-UHFFFAOYSA-N 374.285 3.706 0 40 FHAB Cc1nc(SCc2cc(=O)n3ccsc3n2)n(C2CCCC2)c1C 7140129 BHCKFEFOENTZFF-UHFFFAOYSA-N 360.508 3.977 0 40 FHAB C[C@H]1C[C@H](C)CN(C(=O)CSc2nncn2-c2cccc(Cl)c2)C1 7318769 ZJQOYMIQVPZVKP-STQMWFEESA-N 364.902 3.517 0 40 FHAB COC(=O)c1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)oc1C 9604031 GNZNFJSYNJGKEZ-GOSISDBHSA-N 366.373 3.734 0 40 FHAB COc1cccc([C@H](NC(=O)Nc2cccc(Cl)c2)c2nccn2C)c1 9338083 CRQCGIPTWZHJRJ-KRWDZBQOSA-N 370.840 3.993 0 40 FHAB Cc1ccc(C(C)(C)CNC(=O)N2CCC(OC[C@H]3CCCO3)CC2)cc1 83650315 SJFAPAZGNAGFEG-HXUWFJFHSA-N 374.525 3.642 0 40 FHAB CCc1ccccc1O[C@H](C)C(=O)NCc1ccc(-n2ccnc2C)cc1 20456635 UCAWVMTZIICPPH-MRXNPFEDSA-N 363.461 3.827 0 40 FHAB CN(C)CC1CCN(c2ccc(NC(=O)[C@H]3CC34CCCC4)cc2)CC1 72310262 JKDGTLKNLXKTRU-HXUWFJFHSA-N 355.526 3.983 0 40 FHAB CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)Nc1cccc(F)c1 79111382 UOTHMJWRYFTFIJ-GOSISDBHSA-N 353.438 3.887 0 40 FHAB C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2nc(C3CC3)cs2)CC1=O 74526066 GLXHBJSBDWDJHU-IUODEOHRSA-N 355.463 3.569 0 40 FHAB O=C(c1ccc(NCc2csc(C3CCCC3)n2)cc1)N1CCOCC1 86200860 JKBWFIXQBDZQOJ-UHFFFAOYSA-N 371.506 3.885 0 40 FHAB Cc1cc(C)c(S(=O)(=O)NCc2ccc(-n3ccnc3C)cc2)c(C)c1 20488119 PYKOOYGFDXFBPK-UHFFFAOYSA-N 369.490 3.584 0 40 FHAB CCn1nc(C)cc1NC(=O)[C@H](C)n1nc(C(F)(F)F)c(Cl)c1C 28245296 OVPYWTGUXSCXLH-VIFPVBQESA-N 363.771 3.588 0 40 FHAB O=C1/C(=C\c2ccc(OC(F)F)cc2)N=C(S)N1Cc1ccco1 35679261 AJWWJFFTHUCMCG-MDWZMJQESA-N 350.346 3.550 0 40 FHAB Cc1cccc(N2C(=O)C[C@@H](Nc3ccc(Br)cc3)C2=O)c1C 36635422 GFHLCLCLNGXIFC-OAHLLOKOSA-N 373.250 3.810 0 40 FHAB Cc1ccc(-c2onc(C)c2C(=O)NCc2ccc3c(c2)OCO3)cc1 35671978 WAIXAFABUIAJIR-UHFFFAOYSA-N 350.374 3.617 0 40 FHAB CC1(C)Cc2ccc(Cl)c(NC(=O)NC[C@H]3CCc4nccn4C3)c2O1 555848238 JPHYODPVOCLXHT-GFCCVEGCSA-N 374.872 3.634 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2[C@@H](c3cccs3)n3ncnc3N[C@@H]2C)c(C)c1 36701743 AVSIXKSRHTWGDQ-XOKHGSTOSA-N 367.478 3.615 0 40 FHAB NC[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218647020 BRRGQCIVCSWALV-ARFHVFGLSA-N 356.274 3.508 0 40 FHAB Cc1noc(C)c1CC(=O)NCc1cc(-c2cc3ccccc3o2)on1 38754711 HCGFNTBIQUTXDD-UHFFFAOYSA-N 351.362 3.552 0 40 FHAB CCCn1nc(-c2ccccc2)c2sc(N3CCCCC3)nc2c1=O 36685819 XPDQOIOXGGPSAS-UHFFFAOYSA-N 354.479 3.920 0 40 FHAB CCOC1(C)CCN(C(=O)Nc2ccc(F)cc2-c2cnn(C)c2)CC1 562906264 OZTFMDUBCSLZEX-UHFFFAOYSA-N 360.433 3.649 0 40 FHAB COc1ccc2cc(C(=O)Nc3cccc(Br)c3)c(=O)oc2c1 226042736 VWKHSVVXHKOWFW-UHFFFAOYSA-N 374.190 3.816 0 40 FHAB O=C(COc1ccc(Cl)cc1Cl)NCCOCc1ccccc1 223367219 SVKXOZRLCOVVQM-UHFFFAOYSA-N 354.233 3.705 0 40 FHAB COCCC1(NC(=S)Nc2cc(C(=O)OC)ccc2Cl)CCCC1 225862000 OJAJUGCBVIVYDV-UHFFFAOYSA-N 370.902 3.762 0 40 FHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCN(C)c1ccccc1 224194402 RTVQKFWQVNPHRD-QGZVFWFLSA-N 352.478 3.585 0 40 FHAB CC(C)n1c(C(=O)NCc2nnc3ccccn23)cc2cc(Cl)ccc21 95480216 ZDOXYRORNPLRRZ-UHFFFAOYSA-N 367.840 3.848 0 40 FHAB CN(C)C(=O)C[C@@H]1CC2(CCN(Cc3ccoc3)CC2)c2ccccc21 96161224 HZBRGOCUZVKNTI-GOSISDBHSA-N 352.478 3.779 0 40 FHAB COc1ccc(/C=C/C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 95482207 SWFOIEVYMMCBKG-DHZHZOJOSA-N 369.808 3.728 0 40 FHAB CCc1ccc(NC(=O)N2CCCn3cnc(COC(C)C)c3C2)cc1 96259937 KRPLRWIENRVCRV-UHFFFAOYSA-N 356.470 3.808 0 40 FHAB O=C(C[C@@H]1OCCc2ccccc21)NC1CCN(c2ccc(F)cc2)CC1 583652245 JMUAJEHWQWFDAZ-NRFANRHFSA-N 368.452 3.615 0 40 FHAB C[C@@H]1CCN(C(=O)CN2C(=O)CCc3ccccc32)[C@@H](c2ccco2)C1 608486713 IZGNJYKXNQMZMQ-CRAIPNDOSA-N 352.434 3.559 0 40 FHAB CN1C(=O)CCCC[C@@H]2[C@@H]1CCN2CCOc1cccc(C(F)(F)F)c1 257272273 NBSMYMIFMNMSNQ-DLBZAZTESA-N 370.415 3.560 0 40 FHAB COCCCN1C(=O)N(c2ccccc2)[C@H]2[C@@H]1CC[C@H]2c1ccccn1 257295214 QXLVJGDMDNYKNE-YSIASYRMSA-N 351.450 3.675 0 40 FHAB Cc1ncccc1CNC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 623413522 YLUYVXDVGMKPPB-GFCCVEGCSA-N 353.344 3.849 0 40 FHAB CC(=O)N1CC[C@H]2[C@H](CCCCN2C[C@]2(O)CC[C@@H](C(C)(C)C)CC2)C1 585286833 RFWOAHXVAONPIA-JBPLPALLSA-N 364.574 3.677 0 40 FHAB Cc1cccc(NC(=O)CNc2cccc(C)c2C(=O)N2CCCC2)c1C 55846553 RTTUNPKTNMPRLM-UHFFFAOYSA-N 365.477 3.898 0 40 FHAB COc1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1OC(C)=O 973724 CWXYZKIHBSQTGU-NVNXTCNLSA-N 371.776 3.618 0 40 FHAB CCOC(=O)N1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1 5650594 FZKYRYDPWDERJV-UHFFFAOYSA-N 351.752 3.799 0 40 FHAB COc1ccc(N(C)c2nnc(-c3ccc(NC(C)=O)cc3)s2)cc1 11797102 KUSRHPXYDDSJJE-UHFFFAOYSA-N 354.435 3.940 0 40 FHAB CCOC(=O)C1(Cc2cc(-c3cccc(F)c3)no2)CCN(CC)CC1 12274950 XJWUQPKQDSPQNN-UHFFFAOYSA-N 360.429 3.688 0 40 FHAB COc1ccc([C@H]2CC(=O)c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3C2)cc1 12407509 KAHKGHXPSOIBAQ-BFYDXBDKSA-N 365.477 3.880 0 40 FHAB Cc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 14000298 ZMEIMQKPUYXKCP-HHNLSAEISA-N 364.445 3.556 0 40 FHAB C[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccc2c(c1)OCCO2 14218765 GMOUANFJQJINER-OAHLLOKOSA-N 363.413 3.867 0 40 FHAB COc1ccc([C@H]2CC(=O)c3cnn(-c4ccc(F)cc4)c3C2)c(OC)c1 17075202 QDLDKKFYUVWOCJ-CYBMUJFWSA-N 366.392 3.941 0 40 FHAB CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccc(F)cc3)CC[C@@H]21 19019503 OIFRQQARQQJNKF-UFYCRDLUSA-N 358.482 3.724 0 40 FHAB c1ccc2c(CN3CCO[C@H](c4ccc(-c5cc[nH]n5)cn4)C3)ccnc2c1 19692431 UDGBHSJEAVLRBQ-QFIPXVFZSA-N 371.444 3.593 0 40 FHAB Cc1cc(=O)oc2cc(OCC(=O)c3ccc4c(c3)OCO4)c(Cl)cc12 6365550 ZUIHVFXLWIYWRV-UHFFFAOYSA-N 372.760 3.745 0 40 FHAB Cc1nc(C)c(C)c(OCC2CCN(c3ncnc4sccc34)CC2)n1 1888903821 QDTXXFRAECAJHN-UHFFFAOYSA-N 369.494 3.702 0 40 FHAB O=C(Nc1ccccc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 20432115 ZDUADQDXLNEGOW-UHFFFAOYSA-N 364.371 3.845 0 40 FHAB C[C@@H](c1ccc(Cl)cc1)N(C)CC(=O)N1CCC(c2ccccc2)=N1 32777546 YRENTCXPHQRJIG-HNNXBMFYSA-N 355.869 3.969 0 40 FHAB Cc1nc(OCC(=O)Nc2ccccc2Br)c2ccccc2n1 3517207 OFXAMUSROSWDAM-UHFFFAOYSA-N 372.222 3.718 0 40 FHAB O=C(CCCCCNc1nc(=S)[nH]c2ccccc12)NC[C@@H]1CCCO1 3912162 NJVOOBORJHAZHH-AWEZNQCLSA-N 374.510 3.560 0 40 FHAB COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc(Oc2ccccc2)c1 8843538 VHDXTPXCYBEGOJ-GOSISDBHSA-N 362.389 3.532 0 40 FHAB COc1ccc2nc(-c3ccc(F)c(NC(=O)c4cccs4)c3)cn2n1 11693531 ARFFBUCDHAWOQP-UHFFFAOYSA-N 368.393 3.858 0 40 FHAB CCn1c(C)c(C(C)=O)c2cc(OC[C@H](O)CN3CCCCCC3)ccc21 12421987 JPPRKUZYJWLXOA-GOSISDBHSA-N 372.509 3.788 0 40 FHAB Cc1cc(C)cc(C(=O)N2CCC(n3nc(C(C)(C)C)ccc3=O)CC2)c1 1775970590 HNDAPLUUNDCGES-UHFFFAOYSA-N 367.493 3.635 0 40 FHAB O=C(NCc1ccc(Cl)cc1)N[C@H](c1cccnc1)C1CCOCC1 225623354 RTWSFSSNPGZUFT-SFHVURJKSA-N 359.857 3.702 0 40 FHAB O=C(O)c1ccc(OCCCSc2nnc(Cc3ccccc3)o2)cc1 15422802 ARIJJVIWVBMBAV-UHFFFAOYSA-N 370.430 3.920 0 40 FHAB CC(=O)Nc1ccc(NC(=O)CSc2nc(C)nc3ccccc23)cc1 4562880 OMHBTLHAQLLXHZ-UHFFFAOYSA-N 366.446 3.627 0 40 FHAB COc1cc(OC)c(OC)cc1CNCc1csc(Br)c1 30545416 WTNYUIOLFWFHHZ-UHFFFAOYSA-N 372.284 3.826 0 40 FHAB COc1cc(F)ccc1-c1ccc(=O)n(Cc2c(F)cccc2Cl)n1 40267892 WLZZALHWNSKCFM-UHFFFAOYSA-N 362.763 3.899 0 40 FHAB Cc1cccc(N2CCN(CCC(=O)Nc3ccccc3Cl)CC2)c1 28739580 ISVGMTSVJXTUBS-UHFFFAOYSA-N 357.885 3.799 0 40 FHAB O=C(O)C[C@H](CNC(=O)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1 20426361 XZVGHCZWECWKNL-CQSZACIVSA-N 370.836 3.739 0 40 FHAB Cc1nnc(CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)o1 7790909 ZIELXQJWFRMWCO-UHFFFAOYSA-N 352.423 3.745 0 40 FHAB CCC1=NN(C(=O)c2ccccc2Br)[C@@](O)(c2ccccc2)C1 854839 HXIZMHUTDAPXTM-SFHVURJKSA-N 373.250 3.906 0 40 FHAB O=C(Nc1ccccn1)c1cc(I)ccc1Cl 855718 LHTNCKXQVTXSEP-UHFFFAOYSA-N 358.566 3.592 0 40 FHAB COc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)Nc1c(C)cccc1C 1379758 XDPZJUUOWXUXHA-QGZVFWFLSA-N 367.449 3.947 0 40 FHAB O=C(NCCCn1ccnc1)c1cn(-c2ccccc2)nc1-c1ccccc1 100916643 JCSDQLVBFJOICL-UHFFFAOYSA-N 371.444 3.556 0 40 FHAB O=S(=O)(Nc1ccc(F)c(F)c1F)c1cccc(C(F)(F)F)c1 2636412 DCFNHZWJHVBJHJ-UHFFFAOYSA-N 355.259 3.924 0 40 FHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2ccc(C)c(C)c2)c1 51354155 WIIBGDJJMITIMT-UHFFFAOYSA-N 356.378 3.521 0 40 FHAB CN(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(c1ccccc1)c1ccccc1 101126876 STGZTOKYIHBLQL-BGYRXZFFSA-N 360.457 3.617 0 40 FHAB CC(=O)Nc1ccc(C(=O)CSc2nc3cc(C)ccc3[nH]2)c(F)c1 6975454 LTNWXUBXLYSFJS-UHFFFAOYSA-N 357.410 3.944 0 40 FHAB Cc1ccc(NC(=O)Cc2nc(CSc3cccc[n+]3[O-])cs2)cc1 7507438 CNHOTHPMGNXUDE-UHFFFAOYSA-N 371.487 3.558 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 10327941 BEIJAOAQWXCSGH-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB CC[C@@H](CO)NCc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 8326329 WSTHPKHOQGLTKK-AWEZNQCLSA-N 367.848 3.927 0 40 FHAB CCOc1ccc(CNC(=O)COc2ccc(Cl)cc2)cc1OCC 8497195 GZRNDIOROKQYFV-UHFFFAOYSA-N 363.841 3.833 0 40 FHAB COc1cc(S(=O)(=O)Oc2cc(C)cc(C)c2)ccc1Br 32602104 BCNUYCHKLULYFS-UHFFFAOYSA-N 371.252 3.842 0 40 FHAB CC(=O)Nc1ccc(NC(=O)CCCOc2ccc(C(C)=O)cc2)cc1 2621445 XSQVEJVVXZDICN-UHFFFAOYSA-N 354.406 3.645 0 40 FHAB CC1(C)COc2cc(NC(=O)Cc3ccc(Cl)cc3)ccc2NC1=O 8959151 JPOFLSIRSDEQDV-UHFFFAOYSA-N 358.825 3.878 0 40 FHAB O=C(Nc1nonc1-c1ccc(Br)cc1)c1ccc(F)cc1 11916346 DBGUZBBCTJATCM-UHFFFAOYSA-N 362.158 3.891 0 40 FHAB CCc1c(C)sc(NC(=O)c2cc3ccccc3oc2=O)c1C(=O)OC 2795775 LKYWEYUVGYREJY-UHFFFAOYSA-N 371.414 3.764 0 40 FHAB Cc1c(C(=O)OC(C)C)sc(NC(=O)C(C)C)c1C(=O)OC(C)C 2737274 SPEFAGWHAHVQIV-UHFFFAOYSA-N 355.456 3.781 0 40 FHAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(=O)[nH]c2ccccc12 21915166 ZRSQQWYEUCFJNP-UHFFFAOYSA-N 360.335 3.819 0 40 FHAB O=C(NCCC(=O)N1CCCC1)c1cc2sc3ccccc3c2s1 58115924 BQBZMXBLJTVDPI-UHFFFAOYSA-N 358.488 3.858 0 40 FHAB COc1ccccc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364445 FTZQKSLLUIVHHJ-MRXNPFEDSA-N 360.413 3.854 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3cc(C)nn3C3CCCC3)n[nH]2)cc1 28241913 CXBRDTUYZOQGCP-UHFFFAOYSA-N 365.437 3.958 0 40 FHAB COc1cc(OC)cc(C(=O)/N=c2\sc(C)c(-c3ccccc3)n2C)c1 687699 ZKLWDUMDFHVSCH-MRCUWXFGSA-N 368.458 3.820 0 40 FHAB CC(C)Cc1nnc(NC(=O)C2=C(c3ccccc3)SCCO2)s1 12409198 ISRBURPNJZDVBF-UHFFFAOYSA-N 361.492 3.807 0 40 FHAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3nccs3)C(=O)[C@@H]12 840256 OIVNAPMEONAQFY-YHHIVYBXSA-N 372.449 3.714 0 40 FHAB COCCN1C(=O)c2ccccc2N[C@H]1c1cccc(C(F)(F)F)c1 12522598 FSLPWZJWELYGJD-MRXNPFEDSA-N 350.340 3.918 0 40 FHAB O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12581770 OHCWNTOEFKDKEN-AEFFLSMTSA-N 367.836 3.884 0 40 FHAB CC(C)(C)n1nc(Cc2cccc(Br)c2)c2c(N)ncnc21 58631994 FTICVONBLRGQJW-UHFFFAOYSA-N 360.259 3.517 0 40 FHAB in-vitro CCC(CC)[C@H](CCNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1)OC 89943083 YRHYSGBSQNMNGK-JVPBZIDWSA-N 360.498 3.852 0 40 FHAB Cc1nc(C(C)(C)C)nc2sc(C(=O)N[C@@H](C)Cn3cccn3)c(C)c12 24804668 ARSGZRTUJZQJJQ-NSHDSACASA-N 371.510 3.621 0 40 FHAB CCc1nnsc1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 25613591 HCTVHQDSPHQFHV-UHFFFAOYSA-N 367.434 3.997 0 40 FHAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 28196063 MXMCRLCSLWALIG-UHFFFAOYSA-N 373.352 3.601 0 40 FHAB CCc1cc(=O)n(CC(=O)Nc2ccc(Cl)cc2)c(-c2ccccc2)n1 57527264 AXLXYHCGUZQOTL-UHFFFAOYSA-N 367.836 3.765 0 40 FHAB CC1(C)CC(NC(=O)c2ccc(Br)cc2F)CC(C)(C)N1 12679972 WZRXPFOILYTQEA-UHFFFAOYSA-N 357.267 3.627 0 40 FHAB Cc1cnc(NC(NC(=O)CC(C)C)(C(F)(F)F)C(F)(F)F)s1 2050499 ONBZZTQATKKNGM-UHFFFAOYSA-N 363.327 3.847 0 40 FHAB Nc1cc(Cl)ccc1C(=O)OCC(=O)c1ccc(OC(F)F)cc1 3329291 SVABOXRMHJKDQU-UHFFFAOYSA-N 355.724 3.563 0 40 FHAB COc1cccc(CNCc2ccc(-n3ccnc3C)c(F)c2)c1OC 58174294 DVHUGHYKENQYNX-UHFFFAOYSA-N 355.413 3.627 0 40 FHAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccn(CCc2ccncc2)n1 58192050 ODEFRFUUHJWHRJ-MRXNPFEDSA-N 366.490 3.781 0 40 FHAB CCOc1ccccc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 27989940 LJXXZBUAYCZSKR-HXUWFJFHSA-N 352.478 3.961 0 40 FHAB Cc1nc(C)c([C@H](C)NC(=O)c2ccc3c(O)[nH]c(=S)nc3c2)s1 58417767 CVNFUMHHWGXGRV-QMMMGPOBSA-N 360.464 3.562 0 40 FHAB CC(C)N(C1CCCC1)S(=O)(=O)c1ccccc1OC(F)(F)F 58406165 LOOXUNJYZNIFSI-UHFFFAOYSA-N 351.390 3.927 0 40 FHAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 12786330 FWISLSFHAXWMQC-CYBMUJFWSA-N 363.244 3.981 0 40 FHAB O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1cccc(Br)c1 10900342 UXWVEBJAGXDOKN-UHFFFAOYSA-N 373.250 3.728 0 40 FHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2c[nH]c(=O)c(Cl)c2)cs1 48276050 MDIRVHZKAUGSJJ-UHFFFAOYSA-N 371.849 3.663 0 40 FHAB Cc1nc2cc(F)cc(C(=O)N[C@H]3CCOc4ccccc43)c2nc1C 48304022 NGLYHQJMNWZUKM-INIZCTEOSA-N 351.381 3.639 0 40 FHAB COc1ccc(CNC(=O)CN(C)Cc2ccc(C(C)(C)C)cc2)cc1 3453346 ARVJWZFQVJPTCE-UHFFFAOYSA-N 354.494 3.741 0 40 FHAB COC(=O)c1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1 12942418 BXXAUMOQWVVDLL-UHFFFAOYSA-N 351.402 3.564 0 40 FHAB CC(=O)N[C@@H](CC(=O)N[C@@H]1CCSc2ccccc21)c1ccccc1 8267955 QWXWGHIMZYGMNR-MSOLQXFVSA-N 354.475 3.607 0 40 FHAB CC[C@H](C)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12 4085274 HZPFSRUNQYWHBA-LPLGYCIKSA-N 373.456 3.553 0 40 FHAB biogenic Cn1c(C(=O)NC(C)(C)c2noc(C(C)(C)C)n2)cc(Cl)c1Cl 63957748 HODVLNIVTVUGFQ-UHFFFAOYSA-N 359.257 3.678 0 40 FHAB COc1ccc(-c2cc(C(=O)O)c3c(-c4ccco4)noc3n2)c(F)c1 8342518 AMHYFNDRUJYVKN-UHFFFAOYSA-N 354.293 3.996 0 40 FHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)Nc1ccccc1F 14199969 UUBPNFQCRSCJJO-UHFFFAOYSA-N 351.328 3.596 0 40 FHAB COC(=O)c1ccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 22530949 JKSKLVBIWDLNAF-MRXNPFEDSA-N 366.461 3.957 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)c1cnn(Cc2ccccc2Cl)c1 14136497 IUDCPKYHFQUURX-UHFFFAOYSA-N 355.781 3.566 0 40 FHAB O=S(=O)(NC1c2ccccc2Oc2ccccc21)c1ccc(F)cc1 6543418 HYDUMHBWNXYHBG-UHFFFAOYSA-N 355.390 3.999 0 40 FHAB CCc1noc(C)c1C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 6648255 UJOURMLXNVQRTB-UHFFFAOYSA-N 370.434 3.880 0 40 FHAB COc1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCCC2)cc1 4746912 JCLWSLKMXMFGFR-UHFFFAOYSA-N 360.841 3.966 0 40 FHAB O=C(Nc1c(-c2ccc(F)cc2)nc2ncccn12)c1ccc(F)cc1 8766627 HFMBGQYFJVJTSK-UHFFFAOYSA-N 350.328 3.927 0 40 FHAB Cc1ccc(NC(=O)COC(=O)Cc2cccs2)c(Br)c1 5786922 JEHKIABYHNZFTI-UHFFFAOYSA-N 368.252 3.543 0 40 FHAB Cc1ccc(-c2cc3c(SCC(=O)NCCC(C)C)nccn3n2)cc1 64591370 JLABTZQOOTXXAL-UHFFFAOYSA-N 368.506 3.959 0 40 FHAB Cn1c(SCC(=O)Nc2cccc3ccccc23)nnc1C(F)(F)F 6887143 OBRQAMZPOKNUEA-UHFFFAOYSA-N 366.368 3.718 0 40 FHAB O=C(Nc1ccsc1C(=O)Nc1ccc(Cl)cc1)c1cnccn1 67336002 ISTYCEJBKAJKIE-UHFFFAOYSA-N 358.810 3.696 0 40 FHAB O=C1c2ccccc2N[C@@H](c2cc(Cl)c3c(c2)OCCO3)N1C1CC1 7364448 OCWOBLFKMUQZGK-GOSISDBHSA-N 356.809 3.840 0 40 FHAB C[C@@H](NC(=O)CCc1ccccc1Cl)c1ccc(-n2cncn2)cc1 9390050 SNVPSGRMJWBBOY-CQSZACIVSA-N 354.841 3.731 0 40 FHAB O=C(Nc1ncc(Cc2c(Cl)cccc2Cl)s1)C1=COCCO1 9335779 IGTDEGRVVHBBNU-UHFFFAOYSA-N 371.245 3.867 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2nc3c(F)c(F)c(F)cc3s2)c1 9502064 BBFHKXWQZKLHHE-UHFFFAOYSA-N 368.336 3.983 0 40 FHAB COc1cccc2sc(NC(=O)COc3ccc(C(C)=O)cc3)nc12 9504112 WVLWVTDELORYGL-UHFFFAOYSA-N 356.403 3.525 0 40 FHAB c1cc2c(cc1-c1nnc(-c3cnc4onc(C5CC5)c4c3)o1)OCCO2 71890673 XCFLSBOAWCUHIZ-UHFFFAOYSA-N 362.345 3.588 0 40 FHAB COc1cccc(-c2ccc3nc([C@H]4CCCN(CC5CC5)C4)nn3c2)c1 306140581 UXSNCMPMHXROKW-IBGZPJMESA-N 362.477 3.994 0 40 FHAB CC(C)(C)c1ccc(CCCC(=O)N=c2ccn(-c3ccncc3)[nH]2)cc1 505127960 HKHLGMIQHRUDIV-UHFFFAOYSA-N 362.477 3.948 0 40 FHAB c1ccc(OCCN=c2[nH]c([C@@H]3COc4ccccc4O3)cs2)cc1 524734553 QBRNAAQUUXVKMS-SFHVURJKSA-N 354.431 3.568 0 40 FHAB C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)n1cnc2ccccc2c1=O 33548957 LBZOKDRRYBNYHJ-SNVBAGLBSA-N 362.216 3.903 0 40 FHAB Cc1ccc(C)c(CSc2nnc(Cn3nnc4ccccc43)n2C)c1 34791425 NLOYKIFIHRKCLP-UHFFFAOYSA-N 364.478 3.517 0 40 FHAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC[C@@H](c2ccsc2)C1 675008325 RNOKPFDDEMJAMW-LLVKDONJSA-N 361.410 3.945 0 40 FHAB Cc1noc(C)c1Cc1nn2c(Cc3ccc(Cl)cc3)nnc2s1 71284971 CQOFVCKVOULBIV-UHFFFAOYSA-N 359.842 3.626 0 40 FHAB O=C(Nc1nncn1-c1ccccc1)c1c(F)cc(C(F)(F)F)cc1F 562183777 OHVHIKUALOYPIP-UHFFFAOYSA-N 368.265 3.817 0 40 FHAB CCCNC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 42665048 BUQIPLKQQRZSBX-UHFFFAOYSA-N 350.462 3.732 0 40 FHAB O=C(NCC[C@H](O)c1cccc(Cl)c1)c1ccccc1Br 225609385 BYXOHHOBAYIDOH-HNNXBMFYSA-N 368.658 3.956 0 40 FHAB COc1ccc(CNC(=S)Nc2ncc(C)cc2Br)cc1 223925407 CKPPEAVMGMLJGK-UHFFFAOYSA-N 366.284 3.648 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 223580258 FSPKQNZPNDNTNQ-LJQANCHMSA-N 366.505 3.708 0 40 FHAB O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)Nc1ccc(F)cc1F 96583616 JFHDWCCGNQKKMP-OVCLIPMQSA-N 374.368 3.640 0 40 FHAB COc1ccc([C@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2F)cc1 96171724 JEQAASOABCTOMM-RTBURBONSA-N 374.481 3.775 0 40 FHAB Cc1ccc(-n2nc(C(=O)O)c(N3CC[C@H](c4ccccc4)C3)n2)c(C)c1 256047998 PYVFNPOWVVKXQX-KRWDZBQOSA-N 362.433 3.576 0 40 FHAB Cc1ncc(C(=O)N2CCC[C@@H](Cc3ccc4cnccc4c3)CC2)cn1 257247518 IZIFZZQQMMGPIE-QGZVFWFLSA-N 360.461 3.818 0 40 FHAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)c3cnccn3)C2)n1 257330820 XQEXFHPIKDQOJD-SFHVURJKSA-N 358.445 3.867 0 40 FHAB Cc1cc(C)n(-c2ncc(NC(=O)c3cccc(C(F)(F)F)c3)cn2)n1 85470385 LORSMTJYDCJOSW-UHFFFAOYSA-N 361.327 3.550 0 40 FHAB COc1cccc([C@@H](C(=O)O)N2CCC(Oc3cccc(F)c3)CC2)c1 634692906 MKAFNFHRIBIGHV-IBGZPJMESA-N 359.397 3.503 0 40 FHAB CC(C)(C)c1cccc(OCCNC(=O)[C@@H]2CCO[C@H]2c2ccncc2)c1 649729187 SQNCDCPRPVYTGG-UXHICEINSA-N 368.477 3.652 0 40 FHAB O=C(CSC1CCCC1)N1CCC(Oc2cnc3ccccc3n2)CC1 90678207 VFNCFETUUFMPCV-UHFFFAOYSA-N 371.506 3.675 0 40 FHAB COC(=O)[C@@H]1CN(C(=O)Nc2ccc(C3CC3)cc2)Cc2ccccc21 599765143 LXXYKCFPHAWTLS-LJQANCHMSA-N 350.418 3.868 0 40 FHAB C[C@@H]1CCCCN1CCC1CCN(C(=O)NCCc2ccc(O)cc2)CC1 675711064 TWIKCKMUSUFALZ-GOSISDBHSA-N 373.541 3.621 0 40 FHAB C[C@@H](NC(=O)N1CCOC2(CCCCC2)C1)c1cccc(-n2cccn2)c1 74939838 HRLBVXCBYMBNJF-QGZVFWFLSA-N 368.481 3.678 0 40 FHAB CCN(Cc1csc(C)n1)[C@H]1CCOC2(CCN(C(C)C)CC2)C1 1615190899 KPTQGCXTNNHHNF-SFHVURJKSA-N 351.560 3.695 0 40 FHAB O=C(NCCc1ccccc1)c1cc2cc(Br)ccc2oc1=O 5773160 XQVXBTMWWMVJGE-UHFFFAOYSA-N 372.218 3.528 0 40 FHAB Cc1ccc(N2C(=O)N(c3ccc(C)cc3)[C@@]3(SC=NN3C)C2=O)cc1 5889819 AYWHLUFQWFIPTF-LJQANCHMSA-N 366.446 3.552 0 40 FHAB Cc1ccc2c(c1)[C@@H](NC(=O)c1scnc1C)CC1(CCOCC1)O2 12087024 KIINAEVWTCKDKC-HNNXBMFYSA-N 358.463 3.563 0 40 FHAB Cc1cc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)[C@@H](C)c3ccccc3)C2)on1 12087346 ACFLDUYLVUSCGB-DOTOQJQBSA-N 364.449 3.883 0 40 FHAB COCc1c(C(=O)NCCOc2ccccc2)sc2cccc(F)c12 12785888 TVJVAOSXAITTOE-UHFFFAOYSA-N 359.422 3.996 0 40 FHAB CCCCOc1ccc(C(=O)N(CC)CC(=O)NCc2cccs2)cc1 12977561 NSPDCQMWGWFKKZ-UHFFFAOYSA-N 374.506 3.706 0 40 FHAB O=C(CSCc1ccccc1Cl)NCCCN1CCCCCC1 13646314 SHRVFZDYMDWUQQ-UHFFFAOYSA-N 354.947 3.956 0 40 FHAB COc1ccc([C@H]2CN(Cc3ccccc3)[C@@H]3CCCN(C(C)=O)[C@H]23)cc1 19017767 ADJLILPAUMWLGO-DNVJHFABSA-N 364.489 3.674 0 40 FHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@@H](C)Oc2cccc(F)c2)c1 19078600 WGAKYKNLOHPPCL-AUUYWEPGSA-N 373.424 3.974 0 40 FHAB O=C1CCC[C@]2(CN(Cc3ccc(F)cc3)C[C@H]2c2cc(F)ccc2F)N1 19334493 BNFOKKPQYANLGB-GHTZIAJQSA-N 374.406 3.742 0 40 FHAB Cc1csc(=O)n1CCCC(=O)NCC1(c2ccccc2)CCCC1 29412466 KDSDSVSHRPUIDP-UHFFFAOYSA-N 358.507 3.627 0 40 FHAB COc1ccc(NC(=O)c2ccc(Br)c(N)c2)cc1Cl 40296444 RQODNMRJGJOXBW-UHFFFAOYSA-N 355.619 3.946 0 40 FHAB O=C(COc1ccccc1)N1CCN=C1SCc1ccc(Cl)cc1 4120075 VOPXKESYOXUDDA-UHFFFAOYSA-N 360.866 3.850 0 40 FHAB Cc1cccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1C 4374345 ZOKMJRZTKATGAY-HNNXBMFYSA-N 357.841 3.884 0 40 FHAB COCCn1cc(NC(=O)Nc2ccc(OC)c(OC)c2)c2ccccc21 5266534 VSRPMHUGKHNCFL-UHFFFAOYSA-N 369.421 3.949 0 40 FHAB Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(F)cc2)c(N(C)C)o1 7002465 ZISBQWBKNYAJGD-UHFFFAOYSA-N 360.410 3.688 0 40 FHAB Cc1cccc(CO[C@@H]2CN(C(=O)CC3=CCCCC3)[C@@H]3CCCO[C@H]23)n1 2055718016 VGTVFLTUTUNNSP-SJBKTWHCSA-N 370.493 3.556 0 40 FHAB COc1ccc(C(=O)/N=c2\sc3c(C)ccc(C)c3n2C)cc1OC 100908791 PPOGPWNCDGRSMX-VXPUYCOJSA-N 356.447 3.615 0 40 FHAB Cc1nc(N2CCC(c3noc4cc(F)ccc34)CC2)c2ccncc2n1 2086867288 FRSYKPPZXLDLFD-UHFFFAOYSA-N 363.396 3.998 0 40 FHAB O=C(c1cnn(-c2ccccc2)n1)N1CCS[C@H](c2cccs2)CC1 219460009 WXTYNMVCJCCNDG-KRWDZBQOSA-N 370.503 3.649 0 40 FHAB CCCC[C@H](CC)CN[C@@H](CC(=O)Nc1ccc(F)cc1F)C(=O)O 5258742 UAMVQSCENRIJKN-LRDDRELGSA-N 356.413 3.553 0 40 FHAB Cn1cc([C@H](O)CNC(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21 96096454 QSBBELMRZCASCW-QGZVFWFLSA-N 362.351 3.661 0 40 FHAB O=C(Nc1ccccc1SCC(F)(F)F)[C@H]1CC(=O)N(CC2CC2)C1 40073971 CXPKWOJJZWBORP-LBPRGKRZSA-N 372.412 3.538 0 40 FHAB Cc1cccc(NC(=O)CCC(=O)Nc2nnc(CC(C)C)s2)c1C 2420289 RPFARQRYFRKDSJ-UHFFFAOYSA-N 360.483 3.711 0 40 FHAB COc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1OC 36623829 JXYWKHRSUVLSDQ-UHFFFAOYSA-N 366.417 3.865 0 40 FHAB CC(=O)c1ccc(N2CCN(C(=O)c3cc(Cl)ccc3F)CC2)cc1 7962337 JAGWDHGDAUKBAK-UHFFFAOYSA-N 360.816 3.644 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H](C)Nc1cccc(N2CCCC2=O)c1 28912206 IYUCXFRZGVXFEJ-OAHLLOKOSA-N 367.449 3.651 0 40 FHAB O=C(CNc1ccc(F)c(Cl)c1)Nc1ccc(N2CCCC2=O)cc1 11549520 WPPMQICAURQZDN-UHFFFAOYSA-N 361.804 3.657 0 40 FHAB COc1cccc(Cn2cccc(NC(=O)Nc3ccccc3C)c2=O)c1 1354182 FTMJUPWGGXJVTN-UHFFFAOYSA-N 363.417 3.858 0 40 FHAB CCOC(=O)C1=C(C)Oc2cc3c(cc2[C@@H]1c1ccc(OC)cc1)OCO3 1591330 RZBWFPVZIUJPKV-FQEVSTJZSA-N 368.385 3.785 0 40 FHAB COc1ccccc1C(=O)OCC(=O)Nc1ccccc1C(F)(F)F 1936067 UHIZBDNHUVUKPG-UHFFFAOYSA-N 353.296 3.510 0 40 FHAB COC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C 2539017 XJFJKCSCNLXBCY-GOSISDBHSA-N 355.434 3.962 0 40 FHAB O=C1Nc2c(Cl)cccc2[C@@]12CC(O)=Nc1c2cnn1-c1ccccc1 20727369 GRPMAZVNMROVSD-LJQANCHMSA-N 364.792 3.756 0 40 FHAB C[C@H](SCc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1 4835108 WSDQRBZRITVUDB-INIZCTEOSA-N 356.491 3.784 0 40 FHAB COc1ccccc1NC(=O)CCn1c(-c2ccc(C)cc2)n[nH]c1=S 21216648 HZEGYWOSUPAJGO-UHFFFAOYSA-N 368.462 3.954 0 40 FHAB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2cccc(Cl)c2)o1 8690794 CMYAZMXYVDLQHR-OAHLLOKOSA-N 362.838 3.566 0 40 FHAB C/C=C/C(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 9062165 FINCIVWAIZFTAM-QHHAFSJGSA-N 364.430 3.972 0 40 FHAB COc1ccc(OC)c(NC(=O)CN[C@H](C)C23CC4CC(CC(C4)C2)C3)c1 9154912 DTSRVLDEAYUWKX-XSXQVXRUSA-N 372.509 3.837 0 40 FHAB COc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCCC2)cc1OC 41340680 ZJPKYWFDQSIBTR-IBGZPJMESA-N 368.477 3.661 0 40 FHAB Oc1ccccc1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 22023862 GOYDWCWCSWKVEQ-UHFFFAOYSA-N 357.763 3.786 0 40 FHAB Cc1ccc([C@@H]2SCCN2C(=O)c2cc3ccccc3oc2=O)cc1 789030 KIUIBTNIQKQCNX-IBGZPJMESA-N 351.427 3.989 0 40 FHAB CCN1CCN(c2ccc(NC(=O)c3ccc(OC)cc3)cc2Cl)CC1 809772 BAQPYTMHDYMJTL-UHFFFAOYSA-N 373.884 3.743 0 40 FHAB FC(F)(F)c1cc(C2CC2)nc2cc(-c3nnc(-c4ccncc4)o3)nn12 2803366 FYJSBZCQZPTQAY-UHFFFAOYSA-N 372.310 3.738 0 40 FHAB O=C(CCSc1ccc(F)cc1)Nc1ccccc1N1CCOCC1 24830484 MNWAVXQITNYRTD-UHFFFAOYSA-N 360.454 3.783 0 40 FHAB Cc1oc(-c2ccccc2)nc1CSc1nnnn1-c1ccc(O)cc1 12475637 LQPYLONNLCPCMS-UHFFFAOYSA-N 365.418 3.624 0 40 FHAB CC(C)C[C@@H]1CCCCN1C(=O)Nc1ccccc1N1CCN(C)CC1 89821104 WFQOBVODVXCWOK-SFHVURJKSA-N 358.530 3.871 0 40 FHAB CCCN1C(=O)c2ccccc2N[C@@H]1c1cc2c(cc1OC)C[C@@H](C)O2 26757145 JTJPOSAMBINYLX-XCLFUZPHSA-N 352.434 3.995 0 40 FHAB O=C(c1csc(-c2cccs2)n1)N1CCN(c2ccc(F)cc2)CC1 12534355 TXDZPBRGOIFOML-UHFFFAOYSA-N 373.478 3.973 0 40 FHAB COc1ccc(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 20452946 KIONBHZEKJEXIK-UHFFFAOYSA-N 358.869 3.548 0 40 FHAB Cc1cccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)n1 12537397 LMNTYHSRFGRTGL-UHFFFAOYSA-N 364.302 3.986 0 40 FHAB Cc1cc(C)c(NC(=O)CN(C)CCC(=O)Nc2ccccc2F)c(C)c1 28896293 DYOKSNRSUIEHNI-UHFFFAOYSA-N 371.456 3.650 0 40 FHAB COc1ccc(Br)cc1/C=C1\N=C(c2cccs2)OC1=O 2092548 WWJBVCVTEOKELO-FLIBITNWSA-N 364.220 3.864 0 40 FHAB C[C@@H](O)CN(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 58168396 UPSVUPNMPWXWRZ-CYBMUJFWSA-N 352.356 3.531 0 40 FHAB COc1ccc(-c2nnc(NC(=O)c3ccc(C)cc3)s2)c(OC)c1 3227442 IBDFTKSOLROEKD-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB CCC(CC)NC(=O)COC(=O)c1sc(NC(=O)C(C)(C)C)cc1C 10837642 UBEIHKPIUREBQT-UHFFFAOYSA-N 368.499 3.503 0 40 FHAB CCc1ccc([C@H](CNC(=O)COc2ccccc2)N2CCCC2)cc1 28403418 XIXXZJINPHEESC-NRFANRHFSA-N 352.478 3.581 0 40 FHAB O=C1[C@@H](c2ccccc2)N(C[C@@H]2CCCO2)C(=S)N1c1ccccc1 28405631 FRQJWVJWTDTDNH-ZWKOTPCHSA-N 352.459 3.540 0 40 FHAB COc1ccc(-c2nc3cc(C(F)(F)F)ccc3c(=O)o2)c(OC)c1 12619791 FXOQQINNICSCLS-UHFFFAOYSA-N 351.280 3.891 0 40 FHAB O=C(COC(=O)CCCc1nc2ccccc2s1)Nc1ccccc1 3312593 SQNKMDDSZPNQEF-UHFFFAOYSA-N 354.431 3.801 0 40 FHAB CSCc1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)cc1 12791262 FNOGHKIORVHZDN-UHFFFAOYSA-N 351.475 3.724 0 40 FHAB CCN(C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21)c1ccccc1C 48230641 DDSSGMRKAHTCII-INIZCTEOSA-N 352.434 3.552 0 40 FHAB C[C@H]1CCCC[C@@H]1OCCNC(=O)Nc1cccc(CN2CCCC2=O)c1 48290486 YKDIMFNMQBCLLQ-LPHOPBHVSA-N 373.497 3.526 0 40 FHAB O=C(N[C@H](C(=O)NCc1ccccc1)c1ccccc1)c1cccs1 48333158 ATCRRFXTNMYLDT-SFHVURJKSA-N 350.443 3.536 0 40 FHAB O=C(NCc1cccc(Cl)c1)N1CCN(Cc2ccccc2F)CC1 12861185 JUBZODZIAWMXTH-UHFFFAOYSA-N 361.848 3.507 0 40 FHAB COc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(C)c(F)c2)cc1 12998014 NMYVFLLLOKQUFP-UHFFFAOYSA-N 372.425 3.703 0 40 FHAB O=C(N[C@@H]1CCc2ccccc21)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 12998622 MKAXWWINVJWXFG-GHTZIAJQSA-N 370.452 3.996 0 40 FHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCN(c2ccc(F)cc2)CC1 22524072 RFOHXEZANUWRFO-FQEVSTJZSA-N 370.468 3.949 0 40 FHAB S=C(NC[C@@H]1CCCO1)N1CC=C(c2cccc3ccccc23)CC1 63565717 MDGINKHFLOJROG-SFHVURJKSA-N 352.503 3.982 0 40 FHAB CCCOC(=O)c1cccc(NC(=O)c2cc3ccccc3oc2=O)c1 4039287 TYDNZOKIURVILF-UHFFFAOYSA-N 351.358 3.612 0 40 FHAB CCCc1cc(O)n2nc(NCc3c(Cl)cccc3Cl)nc2n1 8602301 FHZOSYAJYRBVKM-UHFFFAOYSA-N 352.225 3.701 0 40 FHAB O=C1CC2(CCN(C(=O)Cc3ccccc3)CC2)Oc2ccc(Cl)cc21 170522859 APCOASLAEREVKR-UHFFFAOYSA-N 369.848 3.909 0 40 FHAB Cc1ccc(C)n1C1CCN(C(=O)c2cc(Cl)c3c(c2)OCO3)CC1 65528764 IMHHGHQGAKFPPM-UHFFFAOYSA-N 360.841 3.964 0 40 FHAB O=C(c1ccccc1)C1CCN(Cc2nc(-c3cccs3)no2)CC1 14166379 XIZZGVCBYYIPDI-UHFFFAOYSA-N 353.447 3.893 0 40 FHAB CC(C)(C)C(=O)Nc1cc2c(cc1C(=O)c1ccccc1F)OCCO2 4723319 OTNPPMFJINTCPB-UHFFFAOYSA-N 357.381 3.813 0 40 FHAB Oc1ccccc1-c1nc2ncccn2c1Nc1ccc2c(c1)OCCO2 4734046 PLXCSIZSMZLPHB-UHFFFAOYSA-N 360.373 3.617 0 40 FHAB COc1ccc(CCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1OC 4717684 KJIQNGVWRLEYGX-UHFFFAOYSA-N 358.482 3.514 0 40 FHAB Cc1cc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c2c(C)nn(C)c2n1 14814495 FMYHBYLTPOLYTR-XSXQVXRUSA-N 366.509 3.920 0 40 FHAB COc1ccccc1[C@@H]1C[C@H](c2ccccc2)N(C(=O)C2CC2)c2ncnn21 4816913 FBQSFNWNJMGPSI-MOPGFXCFSA-N 374.444 3.764 0 40 FHAB CSc1ccc(CN(C)C(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 14940301 AKTCUHZYFOQZTP-UHFFFAOYSA-N 368.502 3.736 0 40 FHAB Cc1cc(NC(=O)COC(=O)c2cccs2)cc(C)c1Br 408643472 ACLGQPTVRVRWAW-UHFFFAOYSA-N 368.252 3.923 0 40 FHAB COc1ccccc1N1CCN(C(=O)c2ccc(COC(C)C)cc2)CC1 7105011 RQSSFBHSKWSIBE-UHFFFAOYSA-N 368.477 3.583 0 40 FHAB CC(C)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 7129666 YKBVWORPAXLAGR-JTQLQIEISA-N 351.497 3.540 0 40 FHAB Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)CCc2cccs2)c1 78594024 LTQQQIFLGAULSY-MRXNPFEDSA-N 360.504 3.529 0 40 FHAB C[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)[C@@H]1C 71841852 MOBQBLXAIUIQBG-VXNCWWDNSA-N 363.546 3.682 0 40 FHAB C[C@H](NCC(=O)NCc1cccc(Cl)c1)c1nc2c(s1)CCCC2 97165644 FYLVPKCJTWWIAX-LBPRGKRZSA-N 363.914 3.642 0 40 FHAB Cc1ccc(CNC(=O)CN(C2CCC(C)CC2)C2CCC(O)CC2)cc1 72308673 LHEWDMLEFVOLHN-UHFFFAOYSA-N 372.553 3.795 0 40 FHAB CC(C)N(C)c1ccc(NC(=O)c2cc(=O)n(C)c3ccccc23)cc1F 84597180 PLURALITIHMMTC-UHFFFAOYSA-N 367.424 3.775 0 40 FHAB O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1c[nH]nc1C1CC1 95945667 CZSOMIHEUJLXHB-GOSISDBHSA-N 352.825 3.855 0 40 FHAB c1ccc(Cn2nc(NCC3CC3)c3cc(-c4cccnc4)nnc32)cc1 306124573 BTULHKAMUOEEAR-UHFFFAOYSA-N 356.433 3.759 0 40 FHAB O=C(Cc1c(Cl)cccc1Cl)NC1(C(F)(F)F)CCOCC1 75148549 WFQGXOOGSMAIGY-UHFFFAOYSA-N 356.171 3.764 0 40 FHAB CC(C)[C@H](C)NS(=O)(=O)c1ccc(CN2CCCc3ccccc32)cc1 521396803 XJPYCMAHUITUGJ-KRWDZBQOSA-N 372.534 3.962 0 40 FHAB CCN(Cc1ccccc1F)C(=O)[C@@H]1CC(=O)N(c2ccc(C)c(F)c2)C1 1524838819 MWMMBFPYWVEYBN-MRXNPFEDSA-N 372.415 3.675 0 40 FHAB O=C(NCc1ccccc1)c1cn[nH]c1-c1cccc(Br)c1 72329040 BWWGSNGWMMTJEC-UHFFFAOYSA-N 356.223 3.769 0 40 FHAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 78213314 XZTUSOXSLKTKJQ-XLOYDCNLSA-N 374.521 3.604 0 40 FHAB in-vitro CCOC(=O)c1c(NC(=O)Cc2csc(C)n2)sc2c1CCCC2 70707069 BLOPOJMFXFGQTL-UHFFFAOYSA-N 364.492 3.750 0 40 FHAB CCCNc1ncccc1[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 72213144 MASZKNHNSVTUNI-GOSISDBHSA-N 359.495 3.738 0 40 FHAB COc1ccc(CNC(=O)C2CCN(Cc3ccccc3C)CC2)cc1 39750367 IPZZRRVUNYFUFI-UHFFFAOYSA-N 352.478 3.532 0 40 FHAB CC(C)CN1CCC[C@H]([C@H](NC(=O)c2cccs2)c2ccccn2)C1 72330414 KRKJPDTVPQGZFJ-LPHOPBHVSA-N 357.523 3.982 0 40 FHAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc(Cl)cc1 43732756 HQBPJDFUAPFXKD-GFCCVEGCSA-N 354.233 3.956 0 40 FHAB O=C(c1nccc2ccccc12)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 220759574 BLPBPYSAPKWXNZ-AWEZNQCLSA-N 362.433 3.590 0 40 FHAB Cc1ccc(N2CCC[C@H](C(=O)Nc3ccc(C(F)(F)F)cc3)C2)nn1 85470831 PSHCHDYYKXDNKH-ZDUSSCGKSA-N 364.371 3.659 0 40 FHAB O=C(Nc1cc(C2CCOCC2)[nH]n1)c1ccc2[nH]c3c(c2c1)CCCC3 81094465 CUTCNKSIGQEDBQ-UHFFFAOYSA-N 364.449 3.916 0 40 FHAB Cc1cccc(OCCNC(=O)CCCc2nc3cc(C)ccc3o2)c1 224949553 LIYJFEOSTAATKN-UHFFFAOYSA-N 352.434 3.963 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)Cc2cccc(Br)c2)c1 225614136 WGBGFIUXMIQJPS-UHFFFAOYSA-N 362.223 3.725 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 223624226 BOSFMUNVGQLAGY-LJQANCHMSA-N 366.505 3.708 0 40 FHAB CC(C)CSc1nnc(NC(=O)[C@H](C)Oc2ccc(F)cc2)s1 225181450 BJGZMXBWIQJKPM-JTQLQIEISA-N 355.460 3.831 0 40 FHAB COc1ccc(NC(=S)NCCCN2c3ccccc3C[C@@H]2C)cc1 225739209 AOQVNABWVPLKII-HNNXBMFYSA-N 355.507 3.823 0 40 FHAB CCCN1C(=O)c2cccc3c(S(=O)(=O)Oc4ccccc4)ccc1c23 41125233 KWLKTHNGHOMVGU-UHFFFAOYSA-N 367.426 3.978 0 40 FHAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)n1C 224597521 VDSMNALANHLMBY-OALUTQOASA-N 364.474 3.611 0 40 FHAB C[C@H]1C[C@@H](C)CN(c2cc(Cl)nc(NC(=S)NC(C)(C)C)n2)C1 225896776 AUGZRGOYQREUMK-PHIMTYICSA-N 355.939 3.697 0 40 FHAB Cc1cc(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)CC2)c(C)o1 225755705 JSQNFWYCTQTFJN-UHFFFAOYSA-N 370.478 3.747 0 40 FHAB COC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2C)ccc1C 223798410 WLRYNYFTZSSPBX-UHFFFAOYSA-N 353.827 3.544 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 224879639 HWJJXOGBHILKGC-QGZVFWFLSA-N 370.468 3.620 0 40 FHAB S=C(NCc1ccc2c(c1)OCO2)Nc1ncc(Cl)cc1Cl 224043056 IJHWWKXRKQBVIX-UHFFFAOYSA-N 356.234 3.604 0 40 FHAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCOC)nc1 225895833 ISIJRYPKUQYHMX-UHFFFAOYSA-N 366.502 3.913 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)COc1ccccc1 96224051 HHVQCRYBZWYYLP-LJQANCHMSA-N 350.418 3.749 0 40 FHAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(Cc4ccncc4)[C@@H]3C[C@H]21 257261665 LIIGPSACJUEUQH-UKAVVXHISA-N 350.462 3.973 0 40 FHAB Cc1ccc(Nc2nc([C@@H]3CCCN(Cc4cnn(C)c4)C3)cs2)nc1 257199743 AARCMZVFQIIOCD-MRXNPFEDSA-N 368.510 3.703 0 40 FHAB CCc1ccc(CC(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)nc1 585124230 KCAPXQFDCJOVJU-UHFFFAOYSA-N 359.832 3.819 0 40 FHAB Cn1ccc2cc([C@H](O)CNC(=O)Cc3cccc4ccccc34)ccc21 252489851 KCJCHURRIQVQPF-JOCHJYFZSA-N 358.441 3.724 0 40 FHAB O=C(O)COc1cccc(C(=O)N[C@H](c2ccccc2F)C2CCCC2)c1 540668543 XSFHYMOBKXFXSC-FQEVSTJZSA-N 371.408 3.950 0 40 FHAB CC(C)(C)n1cc(CN2CCC[C@H](c3nc4ccc(F)cc4o3)C2)nn1 373812234 KWJBTCADXDKCEJ-ZDUSSCGKSA-N 357.433 3.693 0 40 FHAB CC(C)n1cc([C@@H]2OCC[C@H]2NC(=O)N[C@@H](C)C2CCC(F)CC2)cn1 666930079 WKTABCLOPBESPG-LVLFIUNYSA-N 366.481 3.510 0 40 FHAB O=C(Cc1ccc(NC(=O)CSC2CCCC2)cc1)NCC(F)(F)F 49523931 PQWUPBFUCZVLIT-UHFFFAOYSA-N 374.428 3.522 0 40 FHAB C[C@H]1CCCCN1C(=O)COC(=O)c1cccnc1Nc1cccc(F)c1 51744641 ANTNDFCILMSLCR-AWEZNQCLSA-N 371.412 3.522 0 40 FHAB COc1ccc(/C=C(\Cl)c2nc3cc(OC)c(OC)cc3c(=O)[nH]2)cc1 6210609 NJPFBCXCFNDNCA-ZSOIEALJSA-N 372.808 3.686 0 40 FHAB O=C(N[C@@H](c1ccccc1)c1cccnc1)[C@H]1Cc2cc(Cl)ccc2O1 12148259 HAEKNPQYHWQLET-UXHICEINSA-N 364.832 3.944 0 40 FHAB O=S(=O)(N[C@H](Cc1ccsc1)c1ccccn1)c1ccc(F)cc1 12229324 LHRYRGUHZUVCIY-QGZVFWFLSA-N 362.451 3.545 0 40 FHAB CCOc1ccc(CN2CCN(C(=O)/C=C/c3ccccc3C)CC2)cc1 12747580 TZKNAKLJFLAIMI-JLHYYAGUSA-N 364.489 3.751 0 40 FHAB Cc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3cccs3)n2)cc1F 15674332 YFNRPGAIWVFPIG-CJNGLKHVSA-N 359.426 3.554 0 40 FHAB biogenic,in-vitro CCCc1nn(CC(=O)Nc2ccccc2CC)c(=S)n1-n1cccc1 16777866 QPPKMZMRCLAFAZ-UHFFFAOYSA-N 369.494 3.681 0 40 FHAB CCn1cc(C[C@@H](C)NC(=O)Cn2ccnc2C(C)C)c2ccccc21 19524798 SJCQSHVNCJMSEJ-MRXNPFEDSA-N 352.482 3.729 0 40 FHAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2Br)c(OC)c1 9053561 DJUCMMVTBIGSQP-NSHDSACASA-N 364.239 3.957 0 40 FHAB Cc1ccc(-c2nnc(SCc3nc4ccsc4c(=O)[nH]3)o2)cc1 6028654 JYESKYCFYMIAKA-UHFFFAOYSA-N 356.432 3.635 0 40 FHAB CCOc1cc2ccccc2cc1C(=O)NCc1ccc(NC(N)=O)cc1 32899208 UHXYIHINSTWGHK-UHFFFAOYSA-N 363.417 3.659 0 40 FHAB O=C(Nc1ccc(F)c(F)c1)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4374338 UCPFBJZPUHPUKO-LBPRGKRZSA-N 365.767 3.545 0 40 FHAB O=P1(Nc2ccc(Br)cn2)COc2ccccc2OC1 6231097 IJAWGDFBQNBAFK-UHFFFAOYSA-N 355.128 3.921 0 40 FHAB Cc1noc(-c2ccc(SCC(=O)Nc3ccc4c(c3)CCC4)nc2)n1 49405497 LRAQXJXMEMYYSC-UHFFFAOYSA-N 366.446 3.660 0 40 FHAB O=C(NCc1ccc(Cl)cc1)NC[C@H](c1ccsc1)n1cccn1 575614513 VHNVOXAARVREIA-MRXNPFEDSA-N 360.870 3.687 0 40 FHAB CCn1nc(NC(=O)COc2ccccc2)c2cc3cccc(C)c3nc21 2425958 DOKROPWATUNEEZ-UHFFFAOYSA-N 360.417 3.930 0 40 FHAB O=C(CNc1ccc(F)cc1Cl)Nc1ccc(N2CCCC2=O)cc1 11549508 UVHBFBWLECQTRK-UHFFFAOYSA-N 361.804 3.657 0 40 FHAB CCCNC(=O)c1cc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2n1 3670967 JNGUDJCWTPXSLT-UHFFFAOYSA-N 362.355 3.863 0 40 FHAB O=C(NCCNc1ncnc2sc3c(c12)CCCC3)C1CCCCC1 4241414 ZKNWKTFFYGTVEX-UHFFFAOYSA-N 358.511 3.679 0 40 FHAB O=C1[C@@H]2[C@H]3c4ccccc4[C@H]([C@H]4C=CC=C[C@H]34)[C@H]2C(=O)N1Cc1ccco1 4724987 AUALTXBXGOSYHI-KIOJNPINSA-N 357.409 3.634 0 40 FHAB Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2n[nH]c3ccccc23)c(C)c1 4824236 RGARDQDQWXNOEQ-AWEZNQCLSA-N 351.406 3.672 0 40 FHAB CC(C)c1ccccc1OCC(=O)Nc1ccc(N2CCOCC2)cc1 4901756 VAAWPPJXBKDJDU-UHFFFAOYSA-N 354.450 3.664 0 40 FHAB Cc1cccc(C)c1OC(=O)[C@@H](NC(=O)c1c(F)cccc1F)C(C)C 7983203 DUDGZVWJHJQSHP-KRWDZBQOSA-N 361.388 3.942 0 40 FHAB Cc1nc(Nc2nc(-c3ccc(F)cc3)cc(=O)[nH]2)nc2c(C)cccc12 10157407 RJHIVBLFCUFFFB-UHFFFAOYSA-N 361.380 3.880 0 40 FHAB S=C(NCCCN1CCCCC1)Nc1cccc(Br)c1 8107136 AZOHJHDUSATSNV-UHFFFAOYSA-N 356.333 3.612 0 40 FHAB CC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)s1 32776820 NGXPJNUTTBISOU-BBRMVZONSA-N 371.458 3.690 0 40 FHAB Cc1cccn2cc(COc3ccccc3C(=O)NCCC(C)C)nc12 10367180 HYXNCBWWIHGPHN-UHFFFAOYSA-N 351.450 3.998 0 40 FHAB COC(=O)c1cccc(CSc2nc3ccccc3c3nc(C)nn23)c1 32883714 OKAJBLXFWZSKPJ-UHFFFAOYSA-N 364.430 3.665 0 40 FHAB Cc1nn(CCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c(C)c1Br 102614143 NETKLWUSJJMSHT-KJEVXHAQSA-N 368.319 3.593 0 40 FHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-n3cccc3)cc2)cc1 28221096 UXDHFBIMNPDGBR-HNNXBMFYSA-N 356.447 3.525 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)Cn2nc(C)c(Br)c2C)cc1F 2796014 SFGWUIJPHGDILN-JTQLQIEISA-N 368.250 3.985 0 40 FHAB CC(C)n1nc(C(=O)N(C)[C@@H](C)c2cccs2)c2ccccc2c1=O 53313586 XTNKHJJQAXNZPJ-ZDUSSCGKSA-N 355.463 3.872 0 40 FHAB COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(C)C)CC2=O)cc1 806744 CNPZSTNHATVAME-HNNXBMFYSA-N 352.434 3.810 0 40 FHAB Cc1cc(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c2c(C)noc2n1 54865295 CKAXJNPJSXTFIH-QGZVFWFLSA-N 363.421 3.843 0 40 FHAB CC(C)c1ccc(-c2noc(CCC(=O)NCc3ccncc3)n2)cc1 55291603 KFAUZWJTPGIYSG-UHFFFAOYSA-N 350.422 3.504 0 40 FHAB C[C@@H](Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)Nc1ccc(C(N)=O)cc1 12558171 VNLFOPVSNDXMLJ-CQSZACIVSA-N 371.440 3.796 0 40 FHAB COc1ccccc1CN(C)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 20458622 XNVRSPNLDNTUHN-UHFFFAOYSA-N 374.289 3.964 0 40 FHAB COc1ccc(Oc2cnn(-c3ccccc3)c(=O)c2Br)cc1 1393647 QWURXOMVQVPBSF-UHFFFAOYSA-N 373.206 3.796 0 40 FHAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cccc2ccccc12 24581222 NFADCYKBPRIRTF-UHFFFAOYSA-N 372.346 3.968 0 40 FHAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)C1 20490482 SNFPUROPGGJRBV-MRXNPFEDSA-N 366.461 3.942 0 40 FHAB CCCN(C(=O)c1ccc([S@](C)=O)cc1)[C@@H]1CCc2ccccc2C1 56351788 GWDWTDQWYQCLDN-KBMIEXCESA-N 355.503 3.834 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(OC)cc1 20481396 SVUWBBISGGXPBO-ZDUSSCGKSA-N 359.447 3.991 0 40 FHAB C[C@H](SC(=S)N1CCCC1)C(=O)Nc1ccc(OC(F)F)cc1 21672213 XGWXCRLGFKKZFA-JTQLQIEISA-N 360.451 3.729 0 40 FHAB O=c1/c(=C/c2ccccc2Cl)sc2nc(/C=C/c3cccs3)nn12 27021933 BPRAYKCLBGMRAS-FAGQLRNJSA-N 371.874 3.584 0 40 FHAB Cc1ccc(-c2nc(C(=O)Nc3cc(C(N)=O)cc(F)c3C)cs2)o1 44751935 MWZXTFVTUOALCS-UHFFFAOYSA-N 359.382 3.510 0 40 FHAB COc1cc(CCC(=O)N(C)Cc2ccco2)ccc1OCC(F)(F)F 58215475 YBTJPTPMRULFHN-UHFFFAOYSA-N 371.355 3.821 0 40 FHAB CC(C)[C@@H](NC(=O)Cc1csc(-c2ncccn2)n1)c1ccc(F)cc1 58213034 XOFVLNVUXSGDCA-QGZVFWFLSA-N 370.453 3.795 0 40 FHAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3onc4c3C[C@H](C)CC4)oc2c1 27748346 FRXNCFUUJHKXRW-SNVBAGLBSA-N 352.390 3.775 0 40 FHAB Cc1cnn(CC2CC2)c1NC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2 58367858 YIRCGFCDUAEKTR-UHFFFAOYSA-N 355.438 3.910 0 40 FHAB CCCN(CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)CC(F)(F)F 58370176 ZWKMMCPYJQLAJE-UHFFFAOYSA-N 372.366 3.533 0 40 FHAB CC(C)Oc1ccc([C@H]2CC(O)=Nc3nc(N4CCOCC4)sc32)cc1 36352616 XWPMESISOAOHPC-OAHLLOKOSA-N 373.478 3.891 0 40 FHAB CC(C)CN1CCC(NC(=O)N[C@@H](C)Cc2cccc(Cl)c2)CC1 45463499 UAUZBUBFXWHMPS-HNNXBMFYSA-N 351.922 3.691 0 40 FHAB O=C(Nc1ccc(Br)cc1)[C@H]1CCCN1C(=O)c1ccccc1 12855333 QMYDRZFJUMISJZ-MRXNPFEDSA-N 373.250 3.692 0 40 FHAB O=c1c2ccccc2nnn1COc1cc(Cl)c(Cl)cc1Cl 3450880 LJGSKADMGNTUQX-UHFFFAOYSA-N 356.596 3.788 0 40 FHAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCC[C@H]1c1nnc2ccccn12 12920092 YTMHVRBNTPZUDT-HNNXBMFYSA-N 374.366 3.654 0 40 FHAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(CSc2ncn[nH]2)cc1 7777307 DCJOZOCAEDVGME-GOSISDBHSA-N 364.474 3.904 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)CCN1C(=O)COc2ccccc21 12915801 AOVIHYIYETZGCC-UHFFFAOYSA-N 352.434 3.873 0 40 FHAB O=C(CCc1ccc2c(c1)OCCO2)OCc1cc(-c2ccccc2)on1 12949570 REJHAMSIBKDLIC-UHFFFAOYSA-N 365.385 3.789 0 40 FHAB COCCNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)c(C)c1 17321452 JGTWPTOHORRWEK-UHFFFAOYSA-N 363.461 3.591 0 40 FHAB C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1CCc2ccccc21 8649967 SVXJZYMLEODXBM-HNNXBMFYSA-N 362.429 3.622 0 40 FHAB CC(C)[C@H](NC(=O)CN1CCCC[C@@H]1C)c1ccc2c(c1)OCCCO2 16338659 KQZOXWFPCZBAEO-KKSFZXQISA-N 360.498 3.536 0 40 FHAB CN(C[C@@H]1CCCO1)C(=O)Nc1ccccc1CN1CCc2ccccc21 69034677 VNKLGWXEKXWRAG-IBGZPJMESA-N 365.477 3.892 0 40 FHAB O=C1C(Cl)=C(Nc2cccc(Cl)c2)C(=O)N1Cc1ccc(F)cc1 5012217 LPKRWGCTSFBZHS-UHFFFAOYSA-N 365.191 3.910 0 40 FHAB Cc1c(NC(=O)/C=C/c2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C 6253964 BBYMCHUDMKDPRE-VAWYXSNFSA-N 367.836 3.790 0 40 FHAB O=C(NC[C@H]1COc2ccccc2O1)C1(c2cccc(F)c2)CCCC1 14085796 YLKSHZWHSDXCCX-KRWDZBQOSA-N 355.409 3.594 0 40 FHAB C[C@@H](NC(=O)c1c[nH]cc1-c1ccc(Cl)s1)C(=O)N1CCCCC1 65515266 OEFLJPMYCQNYJS-LLVKDONJSA-N 365.886 3.527 0 40 FHAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(CN2CCCCC2)cc1 14197803 ZUFKRYYVVWCSNK-QGZVFWFLSA-N 370.468 3.895 0 40 FHAB CCCCCOc1ccc([C@@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)cc1 4599275 CUDFGCZSSZKWOE-UHFFFAOYSA-N 370.453 3.910 0 40 FHAB Cc1ccc(-n2nnnc2S[C@H](C)C(=O)c2ccc(F)c(F)c2)c(C)c1 5414697 HCQPBLPEAYUTGM-GFCCVEGCSA-N 374.416 3.921 0 40 FHAB C[C@@H]1C(=O)N(CN(Cc2ccccc2F)C2CC2)C(=O)N1c1ccccc1 14304519 YEQTUPIZYFNOLC-OAHLLOKOSA-N 367.424 3.605 0 40 FHAB Cn1nnnc1-c1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1 14517068 QFJNOJZIVVZJEJ-UHFFFAOYSA-N 371.400 3.922 0 40 FHAB CC(C)[C@@H]1Oc2ccccc2C(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O 6757419 BLLURIYSLNXMBQ-SFHVURJKSA-N 371.820 3.609 0 40 FHAB C[C@@H](OC(=O)c1ccccc1OCc1ccccc1Cl)C(=O)NC1CC1 6936254 BAVAQNBHYWJRAI-CYBMUJFWSA-N 373.836 3.743 0 40 FHAB C[C@H](Sc1nnc(-c2ccccc2F)o1)c1nc2ccccc2c(=O)[nH]1 5982370 CJVRNWIQPZPLDB-JTQLQIEISA-N 368.393 3.966 0 40 FHAB COc1ccccc1N1CCN(CC(=O)c2ccc(C(C)C)cc2)CC1 67206129 DJKXPSSRLOTAIT-UHFFFAOYSA-N 352.478 3.824 0 40 FHAB C[C@@H](NC(=O)c1cccc(OCc2cscn2)c1)c1cccc(O)c1 69428699 WLNPCFRVMBSXBA-CYBMUJFWSA-N 354.431 3.919 0 40 FHAB CCCCCc1ccc(N[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 7220734 QGAVTQZFCPOYST-HNNXBMFYSA-N 353.466 3.957 0 40 FHAB COC(=O)c1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)oc1C 9604035 GNZNFJSYNJGKEZ-SFHVURJKSA-N 366.373 3.734 0 40 FHAB CCCCn1nc(C)c(CNCC(=O)Nc2c(C)cccc2C)c1Cl 8724460 LNVXFWAOWOPZRX-UHFFFAOYSA-N 362.905 3.990 0 40 FHAB COC(=O)c1cc(CN(C)C(=O)Cc2ccc3ccccc3c2)oc1C 8985630 PXHBSSOPYQPUSB-UHFFFAOYSA-N 351.402 3.729 0 40 FHAB Cc1cc(=O)n2c(n1)NC(Nc1ccccc1Cl)=N[C@@H]2c1ccccc1 9184260 URLAILNCOCJRPM-KRWDZBQOSA-N 365.824 3.646 0 40 FHAB COc1ccc(CC(=O)NCc2ccccc2OC(F)(F)F)cc1F 9154746 SEIUPENPFDLCDI-UHFFFAOYSA-N 357.303 3.592 0 40 FHAB C[C@@H](c1ccccc1)N(C)C(=O)CSc1nc(N)c2ccsc2n1 9835871 LWBVRRFMIKMRFL-NSHDSACASA-N 358.492 3.585 0 40 FHAB CC(C)N(C(=O)CSc1n[nH]c2nc3ccccc3n12)C1CCCCC1 9319471 MBBKRLABMQADGN-UHFFFAOYSA-N 371.510 3.872 0 40 FHAB O=C(CN1CCc2sccc2[C@H]1c1ccccc1)NCc1ccco1 9316523 QOWFJMWXGIFKNZ-HXUWFJFHSA-N 352.459 3.605 0 40 FHAB CCCc1cc(C(=O)N2CCN(c3cccc(OC)c3)CC2)sc1C 9470689 JGUXIJCDKPGKEN-UHFFFAOYSA-N 358.507 3.980 0 40 FHAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2nn3cnnc3s2)cc1 9584700 NECNWYMOROGITP-UHFFFAOYSA-N 369.837 3.687 0 40 FHAB CNc1cc(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)c2ccccc2n1 72289348 MNBAEJRUSIFJHD-MGPUTAFESA-N 361.445 3.879 0 40 FHAB CC[S@@](=O)[C@@H]1CCCC[C@@H]1NCc1ccc(OCC(F)(F)F)cc1 97227454 VGUWOGSHGBAHRI-DXMSMQRWSA-N 363.445 3.797 0 40 FHAB CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)CCCc1ccccc1 98110354 SFWNAMJJVXZYQJ-UHFFFAOYSA-N 374.506 3.725 0 40 FHAB C[S@@](=O)Cc1ccccc1NC(=O)COc1cc(Cl)ccc1Cl 95940970 FEPGQKVXEDHIET-QHCPKHFHSA-N 372.273 3.889 0 40 FHAB CNc1ncc(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)s1 79110367 KKTITAAABUWETG-ZETCQYMHSA-N 374.249 3.676 0 40 FHAB O=C(Nc1ccc2oc(C3CC3)nc2c1)N[C@H]1CCC[C@H]1n1ccnc1 75092581 QTKOLDDOSHEOMY-GOEBONIOSA-N 351.410 3.817 0 40 FHAB CNC(=S)N1N=C(c2cccc(C)c2)C[C@@H]1c1ccc(OC)c(OC)c1 89669249 AAPGEYNYQSHPEP-QGZVFWFLSA-N 369.490 3.668 0 40 FHAB CSc1ccc(Cl)c(C(=O)N(C)C[C@@H]2COc3ccccc3O2)c1 24657459 HVEHHELXLXFQMV-GFCCVEGCSA-N 363.866 3.974 0 40 FHAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(CCOC)C2=O)cc1OC 409141332 VAZVCZOWKSOKOO-JASJWYONSA-N 365.451 3.555 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2C)c(C)c1 409383892 NTCRFSZJWLNOHN-UHFFFAOYSA-N 372.490 3.649 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)N1CCC[C@H]1c1ccc2c(c1)OCCO2 32869809 IFVXTRQIWQCYEL-HNNXBMFYSA-N 368.389 3.556 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc([S@](=O)C(F)(F)F)cc1 72307995 OOUCCYONIPGNBR-RUZDIDTESA-N 366.364 3.977 0 40 FHAB CCCc1nc(S/C(=C\c2ccc(Br)s2)C(=O)O)n[nH]1 213383521 FBAPQROMRATEGX-VURMDHGXSA-N 374.285 3.799 0 40 FHAB CC(=O)N1CCc2cc(-c3nc(NC(=O)c4ccco4)sc3C)ccc21 35316045 SCMUYLQDRLJPKK-UHFFFAOYSA-N 367.430 3.873 0 40 FHAB O=C(NC1CCN(c2cnsn2)CC1)c1ccc(-c2ccsc2)cc1 675008099 ZZGZZQXZWTZAHK-UHFFFAOYSA-N 370.503 3.665 0 40 FHAB COc1c(CNC(=O)N2CC3(CCOCC3)[C@@H]2C2CC2)oc2ccccc12 565349068 OMCKBESGSRCGFI-IBGZPJMESA-N 370.449 3.542 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccc(Cl)cc1 224447420 JASZFJDQJZJMLF-QGZVFWFLSA-N 351.805 3.832 0 40 FHAB COc1ccc(/C=C2\N=C(c3cc(Cl)ccc3OC)OC2=O)cc1OC 83315402 DZWZCNSJEJKBIQ-ZSOIEALJSA-N 373.792 3.710 0 40 FHAB CCOC(=O)c1cccc(NC(=S)NCc2ccccc2OCC)c1 225442932 SFQYLNMSJGABBY-UHFFFAOYSA-N 358.463 3.749 0 40 FHAB CCCOCc1cc(C(=O)NCCc2ccc(OC)cc2)ccc1OCC 224703671 QOHCIOFJXNBJIG-UHFFFAOYSA-N 371.477 3.993 0 40 FHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCCN(C)c1ccccc1 225285711 VUXXAKYMQPHXNN-SFHVURJKSA-N 366.505 3.975 0 40 FHAB O=C([C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCOc2ccccc21 225904321 UHQHGPGPYCWLBH-QGZVFWFLSA-N 370.880 3.978 0 40 FHAB CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(C)=O 223403336 SUZQOTBTJKYQBK-IBGZPJMESA-N 358.869 3.956 0 40 FHAB O=C(c1ccc(F)c(F)c1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225730388 VQUZPCSATSSYHH-GFCCVEGCSA-N 372.293 3.672 0 40 FHAB CSc1nnc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)s1 224955455 PULHMFVBZNSJIB-UHFFFAOYSA-N 362.524 3.744 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 225017131 QZMXYQXOUUUCTL-FUHWJXTLSA-N 370.468 3.924 0 40 FHAB Cc1ccc(CN2CCC3(CC2)CO[C@H](COCc2cccnc2)C3)o1 96106141 XFHDZJKWSPKFTE-FQEVSTJZSA-N 356.466 3.571 0 40 FHAB C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)[C@H]1C[C@H]2CC[C@H]1C2 245237557 NOSLJEHASHQEEW-QUSNUVHPSA-N 360.523 3.541 0 40 FHAB COc1ccc([C@H]2Cn3ccnc3CN2C(=O)c2sccc2C)cc1 257303998 SJRCRSHPNCRHPJ-MRXNPFEDSA-N 353.447 3.659 0 40 FHAB Oc1cccc2c1OC1(CCN(Cc3ccccn3)CC1)[C@H]1CCCO[C@H]21 257255386 KHGHHWKRGKPZMB-AZUAARDMSA-N 366.461 3.682 0 40 FHAB O=C(O)CN(Cc1ccc(F)cc1)C1CCN(c2ccccc2F)CC1 257220474 DKZDADJJDJZJRE-UHFFFAOYSA-N 360.404 3.520 0 40 FHAB Cc1c[nH]nc1[C@@H]1CCN(Cc2ccc(-c3ccccc3C(=O)O)o2)C1 257250532 JMXIRFYCXLJFJF-CQSZACIVSA-N 351.406 3.666 0 40 FHAB Cc1csc(Nc2cc([C@H]3CCCCN3Cc3cc[nH]n3)nc(C)n2)n1 257204276 ATUDMOXMISEJNS-MRXNPFEDSA-N 369.498 3.744 0 40 FHAB COc1cccc2c1CN(C(=O)N[C@H](C)[C@H]1Oc3ccccc3[C@H]1C)C2 623702750 GWMYMLPTPYNLHT-JZKQVHKSSA-N 352.434 3.674 0 40 FHAB O=C(c1c(F)cccc1Cl)N1CC[C@H](Oc2ccncc2Cl)C1 575413948 WWMPCJRCQISNDJ-JTQLQIEISA-N 355.196 3.821 0 40 FHAB COC[C@H]1CN(Cc2ccsc2)CC12CCN(Cc1ccoc1)CC2 585103556 POGLAYFSEAUHFZ-LJQANCHMSA-N 360.523 3.702 0 40 FHAB CCN1CCO[C@@H](CNC(=O)Nc2cscc2C)[C@@H]1c1ccccc1 585101459 SZIAUEZVCKGCNE-ROUUACIJSA-N 359.495 3.640 0 40 FHAB COc1cc2c(N[C@@H](C)c3ccc4nc(O)[nH]c4c3)ncnc2cc1F 681376200 FLKHVVJQYYWVFC-VIFPVBQESA-N 353.357 3.533 0 40 FHAB O=C(CCc1ccc(Cl)cc1Cl)N[C@@H]1CCCCC12OCCO2 89768396 UGQVAQCQQWRCAP-OAHLLOKOSA-N 358.265 3.728 0 40 FHAB O=S(=O)(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccccc1 5681620 ACGFTZWGKHQMRF-UHFFFAOYSA-N 351.387 3.691 0 40 FHAB O=C(CN1CCC(c2ccc3c(c2)OCO3)CC1)Nc1ccccc1Cl 12113975 LYHKJKMCWWYCKC-UHFFFAOYSA-N 372.852 3.887 0 40 FHAB CCn1cc(S(=O)(=O)Nc2ccc(-c3ccccc3OC)cc2)c(C)n1 12143864 PXWWZGQWIUHILA-UHFFFAOYSA-N 371.462 3.688 0 40 FHAB CCOc1ccccc1C(=O)N[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 13495076 WPTIQOCDTSUZJF-ZDUSSCGKSA-N 367.405 3.635 0 40 FHAB O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)O)c1cccc(Cl)c1 16398800 FCGNASDIKVVAIU-UHFFFAOYSA-N 369.229 3.818 0 40 FHAB CCc1nc2n(n1)[C@H](c1ccc(OC)c(OC)c1)C=C(c1ccco1)N2 17073013 HNGOFZKCMQEAKW-AWEZNQCLSA-N 352.394 3.507 0 40 FHAB CCN1CCC[C@H]1CN(Cc1ccccn1)Cc1c[nH]nc1C(C)(C)C 19527154 QBHGCPOOLWIGCX-IBGZPJMESA-N 355.530 3.589 0 40 FHAB CCCn1nc(C)c(-c2cncn2CCc2ccc3c(c2)OCCO3)c1C 19654624 NWGXQRSKZSOOIK-UHFFFAOYSA-N 366.465 3.787 0 40 FHAB CC(=O)N[C@@H]1CCO[C@H](c2ccc(NC(=O)CCc3ccccc3)cc2)C1 19711821 MDBVXHZLXMUBDZ-RTWAWAEBSA-N 366.461 3.614 0 40 FHAB Cc1c([C@H](C)NC(=O)c2ccc(Cl)c(N3CCCCC3)c2)cnn1C 19714947 UQDWPILIEOUCRA-ZDUSSCGKSA-N 360.889 3.863 0 40 FHAB CCc1nnc(S/C(=C\c2ccc(C)c(Br)c2)C(=O)O)o1 7342685 RTQOUFPLLSXMQZ-XFFZJAGNSA-N 369.240 3.921 0 40 FHAB CCOc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OC(C)=O 3657404 OQQUPXVVUQUCEE-BOPFTXTBSA-N 365.385 3.664 0 40 FHAB CC[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)CCO1 624228550 VHDSQZAHFACBQE-BZUAXINKSA-N 352.425 3.811 0 40 FHAB COc1cccc(-n2c(SC[C@H]3CCCO3)nc3ccccc3c2=O)c1 3444412 LJDNMOYDNYFJTA-MRXNPFEDSA-N 368.458 3.665 0 40 FHAB CCN(Cc1ccccc1)C(=O)c1ccccc1I 4156586 ZEGRWEVEGSMMQH-UHFFFAOYSA-N 365.214 3.954 0 40 FHAB Cc1nn(-c2nc3ccccc3[nH]2)c2c1[C@@H](c1ccc(F)cc1)CC(=O)N2 21660687 LCFXAQXXGVOMRH-CQSZACIVSA-N 361.380 3.670 0 40 FHAB Cc1csc2nc(CSc3ccc(C(F)(F)F)cn3)cc(=O)n12 22118685 AMVKDVZOBXUINV-UHFFFAOYSA-N 357.382 3.771 0 40 FHAB COc1cc(CNCc2csc(Br)c2)cc(OC)c1OC 30545891 ZLMPNQOYCOYOMM-UHFFFAOYSA-N 372.284 3.826 0 40 FHAB Cc1ccc(N2C[C@@]3(CCN(C(=O)[C@@]4(C)CC=CCC4)C3)CC2=O)cc1 1565543299 IQACOMSXPLULPK-VXKWHMMOSA-N 352.478 3.697 0 40 FHAB C[C@H]1CCCCN1C(=O)CSc1nnc(-c2cccc(Cl)c2)o1 917099 PEGRFPVGLHSPRX-NSHDSACASA-N 351.859 3.883 0 40 FHAB COc1ccc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)c(OC)c1 4138197 IEKIHNWMAKEVPT-UHFFFAOYSA-N 364.445 3.994 0 40 FHAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc3c(C)cccc3s2)cc1 4585879 XXQJDDRQDQWKBR-UHFFFAOYSA-N 360.460 3.651 0 40 FHAB CCCCOc1ccc(C(=O)NC[C@@H]2CN(c3ccccc3)C(=O)O2)cc1 9067539 HUVSZKVLNJJLIJ-LJQANCHMSA-N 368.433 3.621 0 40 FHAB COc1cccc(OCC(=O)OCc2cc(-c3ccccc3F)on2)c1 16838633 HTCWPNASQXHMSO-UHFFFAOYSA-N 357.337 3.612 0 40 FHAB Cc1cc(OC[C@H]2CCCN(C(=O)Nc3c(F)cccc3F)C2)ccn1 1775970317 BJTOUGASPFZCLW-AWEZNQCLSA-N 361.392 3.991 0 40 FHAB O=C(NCCCCN1CCO[C@H](c2ccccc2)C1)c1cccc(Cl)c1 36700082 VDLGKGOXZBUNQO-FQEVSTJZSA-N 372.896 3.924 0 40 FHAB COc1ccc(-c2nc(N)ncc2-c2ccc(Br)cc2)c(O)c1 1504559 IIDHNHYZLLYNNQ-UHFFFAOYSA-N 372.222 3.870 0 40 FHAB biogenic CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2)c1 6570319 INMHNTKOIVUVLI-GFCCVEGCSA-N 372.446 3.689 0 40 FHAB O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCO2 40069150 ZMBFBCSPJWVNTB-UHFFFAOYSA-N 370.880 3.669 0 40 FHAB COc1cc(CNC(=O)C[C@H]2C=CCC2)ccc1OCc1cccnc1 40089062 VAVSAPLFBRHDDE-INIZCTEOSA-N 352.434 3.642 0 40 FHAB Cc1ccccc1NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 40152331 BFHAGLNLZUJAHI-SNVBAGLBSA-N 367.268 3.576 0 40 FHAB Clc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12 20267735 UXFJFUKIWFLMNH-UHFFFAOYSA-N 351.884 3.905 0 40 FHAB Cc1ccc(-n2ncc3c2ncn2nc(CCc4ccccc4)nc32)c(C)c1 2439889 XBHIRAUUFRLXPM-UHFFFAOYSA-N 368.444 3.865 0 40 FHAB CC[C@H]1CCCCN1C(=O)c1cc2c(=O)n3cccc(C)c3nc2s1 2498385 YDLGTOAARMODFP-ZDUSSCGKSA-N 355.463 3.622 0 40 FHAB COC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc1cc(Cl)c(Cl)cc1Cl 1747433 IYCQKPMQPNQYHM-RNFRBKRXSA-N 355.601 3.519 0 40 FHAB Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c1 1946621 IMFATHVIJZVAKY-NSHDSACASA-N 372.490 3.606 0 40 FHAB CC(C)c1ccc2c(c1)[C@@]1(CC(O)=Nc3c1cnn3C(C)(C)C)C(=O)N2 32072470 GECQRHGYSDMXIM-HXUWFJFHSA-N 352.438 3.991 0 40 FHAB CCOP(=O)(OCC)[C@H](NC(=O)c1ccc(F)cc1)C(F)(F)F 3230969 RKSQMHUYVSBYEH-LBPRGKRZSA-N 357.240 3.710 0 40 FHAB CC(=O)N[C@H](CC(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1 3603075 OOMWZRKYNZWPQV-QGZVFWFLSA-N 365.260 3.877 0 40 FHAB CCN(CC)C(=O)CSc1nnc2c3ccccc3nc(C(C)(C)C)n12 4898222 XZLGYEUTXNTBPL-UHFFFAOYSA-N 371.510 3.536 0 40 FHAB C[C@H]1CCCC[C@H]1N/C=C1/C(=O)N(c2ccccn2)C(=O)c2ccccc21 20815798 IUTCKRSRINVQCS-QPNWIUCWSA-N 361.445 3.778 0 40 FHAB CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCC(=O)O 6959517 OJSBFKCNOUWEHZ-KEBDBYFISA-N 363.797 3.961 0 40 FHAB O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc(F)cc1 6970465 MUGKDWDBAGIZKE-UHFFFAOYSA-N 357.410 3.524 0 40 FHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc(F)cc1Cl 7123122 UWGVXMZQGUQIRI-LLVKDONJSA-N 362.788 3.622 0 40 FHAB Cc1nc(Nc2nc3ccccc3o2)nc(C)c1C(=O)NCc1ccco1 10157620 MMQRHFCXQUHGDX-UHFFFAOYSA-N 363.377 3.501 0 40 FHAB COc1ccccc1C(=O)NC(=S)Nc1cccc2ccc(C)nc12 57313741 BYBJLCRREVNUJP-UHFFFAOYSA-N 351.431 3.679 0 40 FHAB COc1ccc(OCCNC(=O)c2occc2COc2ccccc2)cc1 32873754 WFZZDFKZJFYWLL-UHFFFAOYSA-N 367.401 3.676 0 40 FHAB c1csc(-c2nc(CSc3nnc(N4CCCC4)n3C3CC3)no2)c1 32883848 ZHAGJTYCXIRTGT-UHFFFAOYSA-N 374.495 3.617 0 40 FHAB CCOc1ccc(NC(=O)c2ccc(NC(=O)CNCC(C)C)cc2)cc1 2638918 ZUHLJDVXPGNFLE-UHFFFAOYSA-N 369.465 3.522 0 40 FHAB CCc1ccccc1OCC(=O)NCC1(N2CCCCC2)CCCCC1 2633109 RDIUXTKONMFVLT-UHFFFAOYSA-N 358.526 3.933 0 40 FHAB CCCn1ncc(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccccc2OC)C3)c1C 100727340 HSCNONCKOXJPDS-RTBURBONSA-N 369.509 3.625 0 40 FHAB CSc1ccc(NC(=O)N2[C@H]3CC[C@H]2CC(O)(c2cccnc2)C3)cc1 100463852 QFBSIXYXMQLIDC-IRXDYDNUSA-N 369.490 3.850 0 40 FHAB Cc1ccc(N2C(=O)S[C@H](Nc3ccccc3C(=O)O)C2=O)cc1C 2709837 CZHWCCHXOJBJQE-HNNXBMFYSA-N 356.403 3.640 0 40 FHAB O=C(NCc1csc(-c2ccccc2)n1)c1cc2ccccc2c(=O)[nH]1 23009135 UCSVERAKEURVAH-UHFFFAOYSA-N 361.426 3.582 0 40 FHAB CCOc1ccc(NC(=O)c2nn(-c3cccc(Cl)c3)nc2C)cc1 23118683 USVCYUCWBWCUCF-UHFFFAOYSA-N 356.813 3.880 0 40 FHAB COC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(C(C)(C)C)cc1 1100562 ARLFCGIZWHGZAL-LRDDRELGSA-N 372.490 3.806 0 40 FHAB O=C(CNC(=O)c1cc2sc3ccccc3c2s1)NCc1ccco1 24278143 GJDQUFSDPXIGSX-UHFFFAOYSA-N 370.455 3.755 0 40 FHAB COCCN(Cc1cccs1)S(=O)(=O)c1c(C)c(C)cc(C)c1C 24366594 NFIMXDQKLUHXIR-UHFFFAOYSA-N 367.536 3.819 0 40 FHAB CCN(Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)c1ccccc1 43272857 FWSVJMXNHPJXRD-UHFFFAOYSA-N 356.426 3.956 0 40 FHAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1cn[nH]c1 57029342 RJCSMARXMCGINC-UHFFFAOYSA-N 360.805 3.557 0 40 FHAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(OC)c(OC)c1 20111860 RIECQDOPAKJZGQ-HNNXBMFYSA-N 363.841 3.831 0 40 FHAB O[C@H](CNCc1ccc2c(c1)OCO2)Cn1c2ccccc2c2ccccc21 3268723 JBUNXWMRSNIERK-QGZVFWFLSA-N 374.440 3.674 0 40 FHAB COc1ccc(C(=O)COC(=O)Cc2cccc(C(F)(F)F)c2)cc1 3228455 KWDOUUCMLNWYQJ-UHFFFAOYSA-N 352.308 3.683 0 40 FHAB COc1ccc(OC)c([C@H]2CCCN2Cc2nc(O)c3sccc3n2)c1 12684448 LJEDHFGHIATEOY-OAHLLOKOSA-N 371.462 3.751 0 40 FHAB Cc1cccc(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c1C 27452893 YSXKNJIXCROQBE-UHFFFAOYSA-N 352.434 3.557 0 40 FHAB COc1ccccc1C1(CNC(=O)N(C)[C@H](C)CC(C)C)CCOCC1 58168968 HKKUNGSHGKQUMB-QGZVFWFLSA-N 362.514 3.819 0 40 FHAB CCOc1ccc(Cl)cc1NC(=O)C[C@H](NC(N)=O)c1cccs1 58277404 PLYDVMNCCSBYJN-LBPRGKRZSA-N 367.858 3.538 0 40 FHAB CC(=O)N(C)Cc1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)c1 45032385 ZTAKRKKWZDBVRP-HOTGVXAUSA-N 356.388 3.972 0 40 FHAB Cc1c(Cl)cccc1-n1ccnc1SCC(=O)Nc1ncccc1O 28024527 OBGKTVFAVKJMTH-UHFFFAOYSA-N 374.853 3.666 0 40 FHAB Cc1ccc([C@]2(C)NC(=O)N([C@H](C)C(=O)c3cccc(Cl)c3)C2=O)cc1 3363446 FYEYOOFUSRPJTI-XCLFUZPHSA-N 370.836 3.687 0 40 FHAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1C 2395080 NXWVUQVNMHDWPQ-UHFFFAOYSA-N 356.451 3.929 0 40 FHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCc1c[nH]c2ccccc12 12770211 KIFWHPCLZWNQSV-UHFFFAOYSA-N 361.449 3.774 0 40 FHAB Cc1occc1C(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 12767141 AMUIMURDFJUPQP-UHFFFAOYSA-N 363.439 3.590 0 40 FHAB CCOC(=O)c1sc2nc(CN3CCCCC3)nc(Cl)c2c1C 3407869 ZIBVUALUJLHONX-UHFFFAOYSA-N 353.875 3.816 0 40 FHAB Cc1cc(C(=O)CSc2nncn2-c2ccccc2)c(C)n1C1CC1 3453065 QSLXMFZFUGHIHM-UHFFFAOYSA-N 352.463 3.996 0 40 FHAB C[C@H](Sc1nncn1C)C(=O)N(Cc1ccccc1)Cc1ccccc1 3417198 YZJFEMFMTPRLKF-INIZCTEOSA-N 366.490 3.525 0 40 FHAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c(OC)c1 12947011 RBVZEVFJMXXOBM-SFHVURJKSA-N 361.463 3.538 0 40 FHAB O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1ccccc1 12974235 HDHKMMTWDIYCRT-UHFFFAOYSA-N 365.458 3.899 0 40 FHAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 4063408 REJBTXQSIQFRRE-NQFMHKJYSA-N 372.505 3.813 0 40 FHAB biogenic Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccc3ccccc3c2)c1C 5133660 YFKIPSVGQLRDKK-UHFFFAOYSA-N 355.415 3.956 0 40 FHAB C[C@H](OC(=O)c1cccc(Br)c1)c1nc2ccccc2c(=O)[nH]1 5355022 CAAMUMXBXXMWOW-JTQLQIEISA-N 373.206 3.604 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2cc3c(cc2Cl)OCO3)cc1OC 14188846 IOGRXENRJBMYAJ-GQCTYLIASA-N 361.781 3.738 0 40 FHAB Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)o1 8846013 MLTVQNRNKLSLIA-IBGZPJMESA-N 372.380 3.835 0 40 FHAB C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)NCc1ccco1 6559808 LEZSOVPIMPZIHE-NSHDSACASA-N 360.464 3.672 0 40 FHAB Cc1ccccc1NC(=O)COC(=O)COc1ccc(Cl)cc1Cl 5655783 KEYKWXIQPRYLDJ-UHFFFAOYSA-N 368.216 3.863 0 40 FHAB CCc1ccc(-n2ccc(=O)c(C(=O)Nc3ccccc3Cl)n2)cc1 6759301 FSGKAAMPHQPSSA-UHFFFAOYSA-N 353.809 3.701 0 40 FHAB CCOc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1 5936074 IQSJSYJFUPQRAL-HNNXBMFYSA-N 354.450 3.747 0 40 FHAB Cc1ccc(OCc2nn3c(-c4ccc(N(C)C)cc4)nnc3s2)cc1 8706864 DKNDDSPWFQGJLD-UHFFFAOYSA-N 365.462 3.806 0 40 FHAB CC(C)c1ccc([C@@H](NC(=O)COc2ccccc2C(N)=O)C(C)C)cc1 7152819 DLZLDCHWCRGKQI-NRFANRHFSA-N 368.477 3.801 0 40 FHAB C[C@H](OC(=O)c1c(F)cccc1F)C(=O)N[C@@H]1CCCc2ccccc21 7180516 VSPHQQHHWPGCLT-YVEFUNNKSA-N 359.372 3.704 0 40 FHAB COC(=O)c1ccc(OCc2noc(Cc3ccccc3)n2)c(Cl)c1 68044144 BWMYMEGBKFZWBT-UHFFFAOYSA-N 358.781 3.679 0 40 FHAB CCCCN(C)C(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1 8921452 UHGLEJFRPLVQJU-UHFFFAOYSA-N 370.449 3.585 0 40 FHAB C[C@@H](C(=O)N1CCC(c2nnc3n2CCCCC3)CC1)c1ccccc1 19459114 WDDKDFMZJNLSRF-MRXNPFEDSA-N 352.482 3.514 0 40 FHAB COc1ccc(-c2cc(=O)n3nc(C)c(-c4ccccc4)c3[nH]2)cc1OC 9134457 NMOAVNLNZBHIGE-UHFFFAOYSA-N 361.401 3.682 0 40 FHAB CCOC(=O)c1sc(NC(=O)c2sc(C)nc2C(C)C)nc1C 96224209 CIDZWNSYMZLOHP-UHFFFAOYSA-N 353.469 3.769 0 40 FHAB CCS(=O)(=O)c1ccc(O)c(NC(=O)Cc2cccc3ccccc23)c1 9454447 IURXRCPWRBVLCJ-UHFFFAOYSA-N 369.442 3.520 0 40 FHAB COc1ccc(C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)cc1 19819261 AYNKQJIYCZZTHP-UHFFFAOYSA-N 373.412 3.545 0 40 FHAB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](F)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118930380 BSKXCSHQVSHDCE-FJDGTGBTSA-N 352.490 3.658 0 40 FHAB CC(C)Oc1ccc(CNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1 72328227 AWCZZEPOKJXKKU-UHFFFAOYSA-N 353.397 3.933 0 40 FHAB C[C@H](NC(=O)[C@@H]1CCCN1c1nccs1)C12CC3CC(CC(C3)C1)C2 84633280 IUIPDKNSRZBQBY-OYDALLEOSA-N 359.539 3.833 0 40 FHAB CC[C@@H]1c2ccsc2CCN1C(=O)c1cncc(-c2cnn(C)c2)c1 95953727 DGNQUKMMXTZKJH-QGZVFWFLSA-N 352.463 3.693 0 40 FHAB C[S@](=O)Cc1ccccc1NC(=O)COc1cc(Cl)ccc1Cl 95940971 FEPGQKVXEDHIET-HSZRJFAPSA-N 372.273 3.889 0 40 FHAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCC(C)C)ccc1C 408546973 HZEWDEZOMFSLGT-UHFFFAOYSA-N 374.506 3.880 0 40 FHAB COc1cc(CNC(=O)CCc2ccccc2Cl)cc(OC)c1OC 29704632 QXMCNEVLEMAEEH-UHFFFAOYSA-N 363.841 3.615 0 40 FHAB CCOc1ncccc1-c1noc(-c2ccnc(OCC(F)(F)F)c2)n1 545668765 XYBUNGFQBWSTHS-UHFFFAOYSA-N 366.299 3.533 0 40 FHAB O=C(O)Cc1sc(Nc2ccc(C(=O)O)cc2)nc1-c1cccs1 408883982 XMISBTWSMGHFNO-UHFFFAOYSA-N 360.416 3.941 0 40 FHAB COc1cc(-c2noc(Cc3c[nH]c4ncccc34)n2)c2ccccc2n1 546449166 KUCBRTNZZUIUOJ-UHFFFAOYSA-N 357.373 3.761 0 40 FHAB CN(CCOc1ccccc1Cl)C1CCN(C(=O)c2ccccc2)CC1 500212518 QHPIXDPCOGEYHN-UHFFFAOYSA-N 372.896 3.955 0 40 FHAB Cc1cccc(CSCCNC(=O)c2ccc(Cn3ccnc3)cc2)c1 38851666 ZICFZBWYAQXLEE-UHFFFAOYSA-N 365.502 3.903 0 40 FHAB C[C@@H]1CCC2=NN(C(=O)c3cccc(Cl)c3)[C@@](O)(C(F)(F)F)[C@H]2C1 409055424 BUIVTZFLZAJYPE-LYSGOOTNSA-N 360.763 3.839 0 40 FHAB O=C(O)[C@H]1CC(=O)N(c2ccc3nc(-c4ccc(Cl)cc4)oc3c2)C1 70461350 YNOAWCVYYJXWOX-NSHDSACASA-N 356.765 3.586 0 40 FHAB CC(C)[C@H](NC(=O)COc1cccc(NC(=O)C2CC2)c1)c1ccccc1 36394521 MONFADUCGXTBHH-NRFANRHFSA-N 366.461 3.927 0 40 FHAB Fc1ccc(-c2nn(-c3ccccc3)cc2CNCCn2ccnc2)cc1 32740416 WUGQAYMEBRMLHU-UHFFFAOYSA-N 361.424 3.665 0 40 FHAB CNc1cc(C)c([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72219078 CLOMZIACGATONB-GOSISDBHSA-N 359.495 3.656 0 40 FHAB O=C(Nc1cccc(-c2ccccc2)c1)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 518703155 MLLHZDYDNUTVSA-RTBURBONSA-N 370.474 3.537 0 40 FHAB COC(=O)c1ccc(OC)c(OCc2ccc(Br)cc2)c1 216861283 GZKLLZYVBYCFOA-UHFFFAOYSA-N 351.196 3.823 0 40 FHAB Brc1ccc(-c2ccnc3nc(-c4cccnc4)nn23)cc1 72260258 VWLIIAVDSJJXAY-UHFFFAOYSA-N 352.195 3.616 0 40 FHAB CCOc1ccc(CNC(=O)[C@@H](C)Oc2ccccc2OC)cc1OCC 219493885 BOMTYIZLWLPLFR-OAHLLOKOSA-N 373.449 3.576 0 40 FHAB Cc1nc(C)c(C(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccncc3)C2)s1 72334783 QQZXOVZNTIAARY-OAHLLOKOSA-N 367.478 3.565 0 40 FHAB COc1cc(C)c(S(=O)(=O)NCc2ccc(OC(C)C)cc2)cc1C 225017397 KWPOUZCEGDIHNY-UHFFFAOYSA-N 363.479 3.578 0 40 FHAB COc1cc2c(cc1S(=O)(=O)N[C@@H](C)CCc1ccccc1)CCCC2 222572333 SNMGXRURBFJHCH-INIZCTEOSA-N 373.518 3.874 0 40 FHAB C[C@@H]1Cc2cc(Br)ccc2N1C(=O)c1ccc2c(c1)ncn2C 225890944 XNMYFFWDLZHYEB-LLVKDONJSA-N 370.250 3.927 0 40 FHAB COc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(N)cc2)c1 225313271 FTWFKQRCLSITTR-UHFFFAOYSA-N 368.458 3.673 0 40 FHAB CCOc1cccc(NC(=S)N[C@@H](C)COc2ccc(OC)cc2)c1 225266952 PLABUBBBPSRICW-AWEZNQCLSA-N 360.479 3.848 0 40 FHAB CC[C@H](Oc1ccccc1)C(=O)NCCCc1ccc(OC)c(OC)c1 222865153 PGSAHOSUNXXTEL-SFHVURJKSA-N 357.450 3.610 0 40 FHAB COC(=O)c1cc(-c2csc(N)n2)ccc1OCc1ccccc1OC 85397521 XSTQPSNIRUDGSP-UHFFFAOYSA-N 370.430 3.767 0 40 FHAB Cc1cccc(CN(C(=O)Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)c1 224144116 CVAUWYBSDXPLAS-LJQANCHMSA-N 366.505 3.727 0 40 FHAB FC(F)(F)c1ccc(O[C@@H]2CCN(Cc3ccc4c[nH]nc4c3)C2)nc1 576385658 BRKGCYQLMYVVII-OAHLLOKOSA-N 362.355 3.630 0 40 FHAB O=C(N[C@@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21)c1ccco1 96242811 VOBIOMDVNOVJMK-GOSISDBHSA-N 366.461 3.778 0 40 FHAB O=C(c1ccc(F)cc1)N1CCc2ncnc(-c3ccsc3)c2CC1 96187621 PGMFEQPALQCCIS-UHFFFAOYSA-N 353.422 3.585 0 40 FHAB O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(Cc1nccs1)CC2 96100267 PLTKICKUPOMMSF-IBGZPJMESA-N 367.518 3.719 0 40 FHAB CO[C@H](C)CN(C)C(=O)c1cc(C2CC2)nc2c1cnn2C1CCCCC1 585082732 SBUSXVSPEOWFTC-CQSZACIVSA-N 370.497 3.921 0 40 FHAB C[C@@](CO)(CNCc1csc(-c2ccc(F)cc2)n1)c1ccccc1 585083567 GRALWLIBZYEFSD-FQEVSTJZSA-N 356.466 3.989 0 40 FHAB O=C(O)c1nn(-c2ccc(Cl)cc2)nc1N1CC[C@@H](c2ccccc2)C1 256045879 BMJLXOQFAOXGTR-CQSZACIVSA-N 368.824 3.613 0 40 FHAB CC(C)c1cc(NC(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)no1 272880767 WUQAFIOCTMJJSQ-LLVKDONJSA-N 371.363 3.882 0 40 FHAB CCCCCNC(=O)Cc1nc(O)c2cc(Oc3ccccc3)ccc2n1 620127165 ZTTRFAPRROCBDF-UHFFFAOYSA-N 365.433 3.977 0 40 FHAB O=C(Nc1cnc2c(Br)cccn12)N1CCCC(F)(F)CC1 626564399 BLHBIDOCXOVASC-UHFFFAOYSA-N 373.201 3.750 0 40 FHAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H]2C[C@@H](O)C23CCC3)c1 666475544 GBYSIQFPTHGLSD-HUUCEWRRSA-N 365.861 3.504 0 40 FHAB CC1(C)C[C@H](NC(=O)NCc2cn3ccccc3n2)c2ccc(F)cc2O1 675880446 BQLGJDXKSULEFS-INIZCTEOSA-N 368.412 3.575 0 40 FHAB O=C(N1CCC[C@]2(CCCN2Cc2cc(F)ccc2F)CC1)C1(F)CC1 585100406 QSKKZHPSDMUHDP-IBGZPJMESA-N 366.427 3.814 0 40 FHAB Oc1cc(C2CCN(Cc3ccc(F)cc3)CC2)nc(-c2ccccn2)n1 72392815 LCRWZKLEARXQPS-UHFFFAOYSA-N 364.424 3.763 0 40 FHAB in-vitro Cc1sc2c(C3CCN(C(=O)c4cccnc4)CC3)nc(C)n2c1C 12087561 WPUFMCNEXCVXNB-UHFFFAOYSA-N 354.479 3.736 0 40 FHAB CCc1c(C)sc2ncn(C3CCN(Cc4ccncc4)CC3)c(=O)c12 12145452 QAZDCNRJUWMTJL-UHFFFAOYSA-N 368.506 3.561 0 40 FHAB Cc1nc(C)c(CC(=O)N[C@@H](Cc2ccsc2)c2cccnc2)s1 12228722 RVQWGPWMONXKOR-INIZCTEOSA-N 357.504 3.859 0 40 FHAB O=C(Cc1ccc(Br)cc1)Nc1cc(C(=O)O)ccc1Cl 13167709 PFRBAWBTROSAJX-UHFFFAOYSA-N 368.614 3.982 0 40 FHAB COc1cc2c(cc1/C=C/C(=O)Nc1cccc(C(C)=O)c1)O[C@@H](C)C2 14158355 JETHIBJMZYQTLP-GWJCSSMESA-N 351.402 3.873 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H](C)C(C)C)cc2)cc1 17054998 KPPKZUPLRWLILJ-MRXNPFEDSA-N 374.506 3.594 0 40 FHAB CN(C)C[C@@H]1CCCN(C(=O)CCn2c3c(c4ccccc42)CCCC3)C1 19582041 XGVOBPDXHJLEEH-SFHVURJKSA-N 367.537 3.710 0 40 FHAB COc1ccc2[nH]c(CN(C)Cc3ccccc3N3CCOCC3)cc2c1 19715807 FKSWXLLHLLVLAL-UHFFFAOYSA-N 365.477 3.645 0 40 FHAB Cc1cccc(C2(Cn3cncc3-c3cn(C)nc3C)CCOCC2)c1 19719440 OEKRIMCZQMXPBQ-UHFFFAOYSA-N 350.466 3.649 0 40 FHAB Cn1cc(C(=O)NC2CCCC2)c(CC2CCN(C3CCCCC3)CC2)n1 19754954 DHRPKFNIBUCADK-UHFFFAOYSA-N 372.557 3.680 0 40 FHAB CCc1ccc(/C=C2/SC(=S)N([C@H](C(=O)O)[C@@H](C)CC)C2=O)cc1 8337764 DJXWJJHUBZCVJX-ZYBSRVEDSA-N 363.504 3.950 0 40 FHAB Cc1ccc(C(=O)NC(=S)Nc2cc(/C=C/C(=O)O)ccc2Cl)cc1 226356927 SQIMXQHUWOJNRQ-WEVVVXLNSA-N 374.849 3.873 0 40 FHAB O=C(NC1CCN(Cc2ccccc2)CC1)c1sccc1-n1cccc1 25150542 FNLNCDPNZXRAIR-UHFFFAOYSA-N 365.502 3.933 0 40 FHAB O=c1cc(N2CCC(Cc3ccccc3)CC2)[nH]c(=O)n1C1CCCCC1 2961208 KQGLOYUMFACIJS-UHFFFAOYSA-N 367.493 3.501 0 40 FHAB CC(C)(C)c1ccc(NC(=O)NCc2n[nH]c(=O)c3ccccc23)cc1 4317515 SGVKZKFVEHWIPR-UHFFFAOYSA-N 350.422 3.542 0 40 FHAB COc1cccc(C(=O)Nc2nnc(-c3ccc(C)cc3C)o2)c1OC 4479361 BAUCNXLWIGTCSE-UHFFFAOYSA-N 353.378 3.623 0 40 FHAB CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)cc2)cc1 5441211 VMWIFKOKTJDTII-UHFFFAOYSA-N 352.434 3.783 0 40 FHAB CCOC(=O)CSc1nnc(C(C)C)c2cnn(-c3ccc(F)cc3)c12 23137734 LXFQJVPFLVLLMU-UHFFFAOYSA-N 374.441 3.733 0 40 FHAB O[C@@H](COC[C@@H]1C[C@H]2CC[C@H]1C2)CN1CCC(Cc2ccccc2)CC1 106219866 LEDFADQRHWJSEN-CWBXHPNXSA-N 357.538 3.755 0 40 FHAB CCC(C)(C)C(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(C)cc3)C2)s1 20573093 NIKHKAWBLDQEND-CYBMUJFWSA-N 372.494 3.742 0 40 FHAB O[C@H]1C[C@@H]2CN(CC3CCCC3)C[C@@H]2C[C@@H]1n1ccnc1-c1ccccc1 2332242744 NDFFFPRXYBPUHU-LRSLUSHPSA-N 365.521 3.984 0 40 FHAB O=C(NC1CCN(c2ncnc3cc(Cl)ccc23)CC1)c1ccccc1 40024899 OHTBTHJEEZVGAY-UHFFFAOYSA-N 366.852 3.682 0 40 FHAB C[C@@H](NC(=O)CCCNc1ncccn1)c1ccc(Cl)c(Cl)c1 40130331 YGDDAQZLVXCYLF-LLVKDONJSA-N 353.253 3.853 0 40 FHAB C[C@@H](NCc1csc(Br)c1)c1ccc(-n2cncn2)cc1 30545454 RXOUTMWIRPRBSF-LLVKDONJSA-N 363.284 3.942 0 40 FHAB Cc1cc(C(=O)N2CCC(C)CC2)c2cnn(-c3ccccc3F)c2n1 36616741 WDWUOCTVUIXJEX-UHFFFAOYSA-N 352.413 3.740 0 40 FHAB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1c(Cl)cccc1Cl 3437129 PSAYUZGURGDEMJ-UHFFFAOYSA-N 368.172 3.518 0 40 FHAB CCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(Cl)cc1Cl 4369600 OYVMCXDTJSXQRF-AWEZNQCLSA-N 367.236 3.827 0 40 FHAB CCc1ccc(-n2ncc3c2N=C(O)C[C@@]32C(=O)Nc3ccccc32)cc1 20745394 MZDSEIZLYPVEKT-NRFANRHFSA-N 358.401 3.665 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c1 4950159 HIQZGAMGEUXCFG-UHFFFAOYSA-N 374.400 3.666 0 40 FHAB O=C(NCc1ccccc1)NC1(C(=O)NCc2cccs2)CCCCC1 4981829 OLIRLVFXMNKGEI-UHFFFAOYSA-N 371.506 3.567 0 40 FHAB COC(=O)c1cc(OC(=O)/C=C/c2ccc(Cl)cc2)cc(C(=O)OC)c1 6545354 AXRSYBHOTZMMNF-VMPITWQZSA-N 374.776 3.532 0 40 FHAB CCc1nnc(S/C(=C\c2ccc(Br)cc2)C(=O)O)o1 7508229 HVMIXQZZUVNMGF-YFHOEESVSA-N 355.213 3.612 0 40 FHAB Cc1[nH]c2ccc(C(=O)O[C@@H](C(=O)N(C)C)c3ccccc3)cc2c1C 7814914 XYHXRWJNDOVHPW-LJQANCHMSA-N 350.418 3.771 0 40 FHAB NC(=O)[C@H]1CCCN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)C1 8063883 JTMNNXNOCCJWSU-LBPRGKRZSA-N 372.881 3.713 0 40 FHAB CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CCCc2ccccc21 60167976 IZGYZHVBRVUGBR-IBGZPJMESA-N 372.459 3.975 0 40 FHAB COC(=O)c1ccc(F)c(S(=O)(=O)Nc2cccc3ccccc23)c1 109068089 BEKQBAFLFTWDMU-UHFFFAOYSA-N 359.378 3.566 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)Nc1nnc(C2CC2)s1 8395786 PZXHTKWCQBFULL-ZHACJKMWSA-N 365.462 3.870 0 40 FHAB CCc1ccccc1NC(=O)c1ccccc1N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 8434210 QJJJMXDYLWVWNP-IAGOWNOFSA-N 374.440 3.957 0 40 FHAB COc1ccc(C(C)=O)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 21820311 WJGWAWVLCJSLPY-UHFFFAOYSA-N 374.336 3.684 0 40 FHAB CCCSc1nnc(NC(=O)c2cc3ccccc3c(=O)s2)s1 12274409 QGRKBNVFIBVGEH-UHFFFAOYSA-N 363.489 3.867 0 40 FHAB O=C(CCc1nc(-c2cccnc2)no1)Nc1cccc(C(F)(F)F)c1 58141491 QUJTYFCASWFGMQ-UHFFFAOYSA-N 362.311 3.722 0 40 FHAB O=C(Nc1ccccc1N1CCOCC1)C1(c2ccc(Cl)cc2)CC1 12534580 GOTMEIYMWDSXSU-UHFFFAOYSA-N 356.853 3.847 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(Oc3cnccn3)c2)c1 24576111 GUGDVVBYGLIWCU-UHFFFAOYSA-N 355.419 3.687 0 40 FHAB Cc1cc(C)c2c(C)c(C(=O)NC[C@H]3COc4ccccc4O3)sc2n1 12517002 GHGFOXHXLXTUJN-AWEZNQCLSA-N 368.458 3.791 0 40 FHAB O=C(Nc1cccc(OCCn2cccn2)c1)N1CCc2ccccc2C1 47791567 BORMWVOLOSXPBT-UHFFFAOYSA-N 362.433 3.552 0 40 FHAB COC(=O)C1(NC(=O)c2ccc(COc3ccccc3)cc2)CCCCC1 25170275 VYYKERRPCLSCJY-UHFFFAOYSA-N 367.445 3.871 0 40 FHAB Cc1ccc(-c2csc3nc(CN4C[C@@H](C)O[C@H](C)C4)[nH]c(=O)c23)cc1 25388568 IAYLMDNWTIIIAL-ZIAGYGMSSA-N 369.490 3.569 0 40 FHAB CCC(=O)Nc1cccc(NC(=O)c2ccc3c(O)[nH]c(=S)nc3c2)c1 47933520 BNRSFHLAVSSAJF-UHFFFAOYSA-N 368.418 3.599 0 40 FHAB CCOc1c(Br)cc(F)cc1NC(=O)c1cccc(C)n1 26731190 CVIQRWNZHKMXEB-UHFFFAOYSA-N 353.191 3.943 0 40 FHAB COC(=O)c1cccc(NC(=O)c2cc3c(nc4sccn43)s2)c1 26775686 YIZGCQCWDWDEKS-UHFFFAOYSA-N 357.416 3.649 0 40 FHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(OC)c(OC)c1 20495737 ZAERIFXQKOVOES-MRXNPFEDSA-N 363.841 3.831 0 40 FHAB COc1ccc(CNCc2ccc(NC(C)=O)cc2)cc1OC(F)F 25312936 YHMMVQTVOQFPEQ-UHFFFAOYSA-N 350.365 3.545 0 40 FHAB Cn1cnnc1-c1ccc(NC(=O)N2CCC[C@@H]2c2ccsc2)cc1 58146050 KHPRQMDZVGZNJS-MRXNPFEDSA-N 353.451 3.913 0 40 FHAB COc1ccc(-c2nnc(SCc3noc(C(C)C)n3)o2)c(OC)c1 58170971 RCEIJYDNIDUPHK-UHFFFAOYSA-N 362.411 3.553 0 40 FHAB CC1CCN(CCCCNC(=O)Nc2ccccc2-n2cccn2)CC1 48148997 DNENVFFXXYZSLE-UHFFFAOYSA-N 355.486 3.506 0 40 FHAB COc1ccc(CN2CCCN(C(=O)Nc3ccccc3F)CC2)cc1 10463412 AIIWMMKAVNYREO-UHFFFAOYSA-N 357.429 3.574 0 40 FHAB Cc1cc(N[C@H](C)C(=O)Nc2ccc(F)cc2F)ccc1N1CCCC1=O 10750307 LTIRHNKUFNMQMJ-CYBMUJFWSA-N 373.403 3.839 0 40 FHAB CC(=O)Nc1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1Cl 12738332 WZCFFCUCMORPSA-UHFFFAOYSA-N 360.797 3.598 0 40 FHAB Cc1cccn2c(=O)cc(CN3CCc4sccc4[C@@H]3C3CC3)nc12 12787779 GVCRPLUZBYXJSI-IBGZPJMESA-N 351.475 3.574 0 40 FHAB CC(C)c1ccc(NC(=O)CCn2nc(-c3cccs3)oc2=O)cc1 12771811 GANTYQTYBCZBCL-UHFFFAOYSA-N 357.435 3.717 0 40 FHAB CC(=O)Nc1cccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)c1 12886605 RJDRZHWKSPXJPB-UHFFFAOYSA-N 365.477 3.561 0 40 FHAB CC(=O)N[C@H](C)c1ccc(C(=O)CSc2nc(C3CCCC3)n[nH]2)cc1 12981366 DNMAGQRAZPPCAC-GFCCVEGCSA-N 372.494 3.634 0 40 FHAB Cc1ccccc1[C@H](C)NCC(=O)Nc1cc(Cl)ccc1-n1cncn1 13040722 RUTMFBQOPYGXLM-AWEZNQCLSA-N 369.856 3.518 0 40 FHAB CCc1ccc(-c2noc([C@H]3CC(=O)N(CCc4ccccc4)C3)n2)cc1 38924011 SQGKFTVUWCXMRZ-IBGZPJMESA-N 361.445 3.858 0 40 FHAB Cc1c(CC(=O)NC2CCCC2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 4089962 OUHGWAZMLUQQGY-UHFFFAOYSA-N 369.461 3.806 0 40 FHAB biogenic CCOc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)O[C@H]1CCC[C@@H]1C 4084009 FUPVHRSUYOBPNS-QITLCBANSA-N 374.506 3.610 0 40 FHAB CC(C)(C)NS(=O)(=O)c1ccccc1CNc1nc2ccccc2o1 64947854 BHIXKTJEWKBMAD-UHFFFAOYSA-N 359.451 3.517 0 40 FHAB C[C@H](Sc1nnc(-c2cccnc2)o1)C(=O)c1c[nH]c2ccccc12 6100163 YZTVEWQUJNZGKB-NSHDSACASA-N 350.403 3.976 0 40 FHAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c(Cl)c1 6272261 RIOFFHGRRVHQFG-INIZCTEOSA-N 356.853 3.678 0 40 FHAB CC(C)Cn1c(SC/C=C/c2ccccc2)nnc1N1CCOCC1 39982465 GZQBIXQVPRWEEQ-RMKNXTFCSA-N 358.511 3.576 0 40 FHAB CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nc2ccccc2c1=O 5213690 LYLRLMZJNLVDOY-CYBMUJFWSA-N 353.447 3.536 0 40 FHAB CCOC(=O)c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 6368636 HBMSERAWKPWZJP-UHFFFAOYSA-N 373.352 3.683 0 40 FHAB Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1cccc(Cl)c1 14182686 CFYIARLUOIDBAP-UHFFFAOYSA-N 373.815 3.838 0 40 FHAB Cc1cc(NC(=O)[C@@H](OC(=O)c2cc(C)oc2C)c2ccccc2)no1 14108230 CEIFAZDLXZOISV-KRWDZBQOSA-N 354.362 3.730 0 40 FHAB Cc1cccc2sc(NC(=O)CNC(=O)c3ccccc3Cl)nc12 8727940 XUUYXZWAQXFGLB-UHFFFAOYSA-N 359.838 3.627 0 40 FHAB CCOc1c(Br)cc(/C=C2\SC(=O)N(C)C2=O)cc1OC 4694922 RSVDNPCKVKTUIV-XFFZJAGNSA-N 372.240 3.523 0 40 FHAB Cc1nnc([C@H](C)Sc2nc(-c3ccccc3Br)n[nH]2)o1 66409030 ASPLPUUKPGAOJE-ZETCQYMHSA-N 366.244 3.779 0 40 FHAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1ccc(N(CC)CC)cc1 8708457 KQNWDWCBSBMACG-MRXNPFEDSA-N 363.461 3.987 0 40 FHAB CCC(CC)c1nnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)s1 4975581 VKVLKOJWIUHWMR-AWEZNQCLSA-N 372.494 3.742 0 40 FHAB COc1cc(CNCCN(C)C)cc(Cl)c1OCc1ccccc1F 22075782 ZWDRXDGHRNCWAF-UHFFFAOYSA-N 366.864 3.718 0 40 FHAB CCCn1c(C)cc(-c2csc(NC(=O)c3cnc(C)cn3)n2)c1C 6945228 VRDXAIXONLJCOB-UHFFFAOYSA-N 355.467 3.989 0 40 FHAB COc1cccc([C@@H](C)NC(=O)COC(=O)c2cc(Cl)ccc2F)c1 67198254 XWCXMKQJZMPSNU-LLVKDONJSA-N 365.788 3.522 0 40 FHAB C[C@@H]1CN(C(=O)[C@@H](C)Nc2ccccc2Cc2ccccc2)C[C@@H](C)O1 5939008 OHGQORPIIGSVOO-KZNAEPCWSA-N 352.478 3.714 0 40 FHAB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c(C)n1C(C)C 7287409 LYSLBVAQHZQYEQ-AWEZNQCLSA-N 372.421 3.599 0 40 FHAB O=C(COc1ccccc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 7408894 GIAFMGIWLRPOKI-UHFFFAOYSA-N 354.387 3.556 0 40 FHAB O=C(Nc1nc2ccc(F)cc2s1)[C@@H]1CC(=O)N(c2ccccc2F)C1 7719154 NRHXTVFBMCIYPB-SNVBAGLBSA-N 373.384 3.566 0 40 FHAB Cc1cccc(OCCSCc2nc(N)nc(Nc3ccccc3)n2)c1 7851486 KBTBVEMRKZXRGF-UHFFFAOYSA-N 367.478 3.818 0 40 FHAB CNC(=O)c1ccc(CN(C)C(=O)c2csc(-c3ccsc3)n2)cc1 7848946 GGRRUEHZKMXKGG-UHFFFAOYSA-N 371.487 3.503 0 40 FHAB O=C(NCCn1ccc2ccc(Cl)cc21)c1cc(=O)[nH]c2ccccc12 71284713 YMKJUQPVRFJVEP-UHFFFAOYSA-N 365.820 3.566 0 40 FHAB COc1ccc(C2=NN=C(SCCC(=O)O)c3ccccc3C2)cc1 19688989 QCHSKXHUOJMETH-UHFFFAOYSA-N 354.431 3.610 0 40 FHAB O=C(NCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)C1CCCCC1 9460394 QYOMIPFYRGQWRM-MRXNPFEDSA-N 371.506 3.656 0 40 FHAB CC(=O)Nc1cccc2c1CCN(C(=O)CCOc1cccc(C)c1C)C2 84219175 BRCIZHKLMXOXPQ-UHFFFAOYSA-N 366.461 3.616 0 40 FHAB Cc1nnnn1-c1cccc(C(=O)Nc2cccc3c2ccn3C(C)C)c1 95476159 RYGVZOLMXUELOI-UHFFFAOYSA-N 360.421 3.759 0 40 FHAB CCOc1ccc(Br)cc1C(=O)OCC(=O)c1ccccc1 408588994 XQDXUDBJZSGBSS-UHFFFAOYSA-N 363.207 3.888 0 40 FHAB COc1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1OC 63628504 FXAVGHLZTMEIMP-UHFFFAOYSA-N 357.431 3.682 0 40 FHAB CC(C)[C@@H]1N(C(=O)Nc2nccn2-c2ccccc2)CC12CCOCC2 557114646 DHLHXRNNTVZYAX-KRWDZBQOSA-N 354.454 3.541 0 40 FHAB O=S(=O)(NCCCOCc1ccccc1)c1c(Cl)cccc1Cl 32814228 QTVZXJJUFXVABV-UHFFFAOYSA-N 374.289 3.879 0 40 FHAB CCc1ccc(CNC(=O)c2cn[nH]c2-c2ccc(OC)c(OC)c2)cc1 72329263 NISNUAZUZOHTKM-UHFFFAOYSA-N 365.433 3.586 0 40 FHAB Cc1cc(F)ccc1N1CCC[C@H](NCc2cn3cccc(F)c3n2)C1 1560338409 XPJXEEQXHBXWRB-INIZCTEOSA-N 356.420 3.680 0 40 FHAB COc1coc(C(=O)N[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)cc1=O 524732236 RBSCKUMNJBCHEY-CQSZACIVSA-N 372.808 3.591 0 40 FHAB biogenic COc1cc2c(cc1OC)[C@@H](NC(=O)c1ccc3ccn(C)c3c1)CC2 524733922 DMNTXRFUSNMPRD-KRWDZBQOSA-N 350.418 3.613 0 40 FHAB CC(=O)N(CCC(C)C)c1nc(C)c(C(=O)Nc2ncc(C)s2)s1 36359495 DLHWCQGZTFNLLJ-UHFFFAOYSA-N 366.512 3.868 0 40 FHAB O=C(c1ccccn1)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 72362254 IHXUESGOAFLHMN-MRXNPFEDSA-N 360.417 3.684 0 40 FHAB O=C(Nc1ccc2c(c1)OCCO2)c1cnn(-c2ccc(Cl)cc2)c1 35481163 LPUNOPOVYBRVRT-UHFFFAOYSA-N 355.781 3.549 0 40 FHAB O=C(NC[C@H](O)Cc1ccccc1)NC(c1ccccc1)c1ccccc1 70639486 OZJDMEZVZPEZAU-OAQYLSRUSA-N 360.457 3.679 0 40 FHAB Cc1ccc(CSc2nnc([C@H](C)NC(=O)c3ccccc3)n2C)cc1 33658642 HDXCQCDWLFHGHE-HNNXBMFYSA-N 366.490 3.907 0 40 FHAB COc1ccc(-c2ncc(C(=O)Nc3c(F)cccc3F)c(C)n2)cc1 223142042 ZOIROJBFYDJWPE-UHFFFAOYSA-N 355.344 3.991 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=S)NCc2cccc(F)c2)c1 225837110 FRWVLIMMSVYBLW-UHFFFAOYSA-N 352.818 3.752 0 40 FHAB COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1 225236247 NJUPVBGAGRFHPP-CPNJWEJPSA-N 365.458 3.770 0 40 FHAB Cn1c(CSc2nncn2Cc2ccco2)nc2cc(Cl)ccc21 43242738 KWADJZALMVKGDL-UHFFFAOYSA-N 359.842 3.752 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl 223011717 FOHOTXQGQIMAHV-IBGZPJMESA-N 372.896 3.744 0 40 FHAB Cc1cc(O[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)ccc1Cl 222841477 VZNDOSBYMHXYCF-QGZVFWFLSA-N 372.896 3.760 0 40 FHAB CC(C)Oc1ccc(CNC(=O)C(=O)Nc2ccc(OC(C)C)cc2)cc1 42646757 ODZGEXZUBHZRGS-UHFFFAOYSA-N 370.449 3.516 0 40 FHAB Cn1nc(-c2ccccc2)cc1C(=O)NCc1ccnc(-c2ccco2)c1 225655973 SIDLTWWKPWPUHU-UHFFFAOYSA-N 358.401 3.672 0 40 FHAB COc1cccc(CCCNC(=O)COc2cccc3c2CCCC3)c1 225660021 LIAFJZJKUOJIFB-UHFFFAOYSA-N 353.462 3.702 0 40 FHAB COc1ccc2cc(S(=O)(=O)NCCSC3CCCC3)ccc2c1 222907768 RXYKVTGOTVQUHZ-UHFFFAOYSA-N 365.520 3.803 0 40 FHAB Cc1nc(-c2cccc(NC(=O)c3coc(NC(=O)C4CC4)n3)c2)cs1 77099833 VNZSJIYFSFAATK-UHFFFAOYSA-N 368.418 3.707 0 40 FHAB CC1CCN(CCCNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)CC1 224862217 XXEVKVUQKXWEQX-SFHVURJKSA-N 358.526 3.571 0 40 FHAB O=C(CCn1ccc2c(Cl)cccc21)NCCc1nc2ccccc2[nH]1 96117330 CXVVRIXOWNGLDL-UHFFFAOYSA-N 366.852 3.920 0 40 FHAB COc1ccc(CN2CCCn3cnc(COCc4ccco4)c3C2)cc1 96059039 JLRXFPXNIWILHW-UHFFFAOYSA-N 367.449 3.607 0 40 FHAB Cc1nc(C)c(CCNCc2cn3ccc(Br)cc3n2)s1 580249297 BJOMZNGJKBNDNN-UHFFFAOYSA-N 365.300 3.502 0 40 FHAB Cc1ccc(CN2CC[C@]3(CCCN(C(=O)Cc4cccnc4)C3)C2)s1 96047119 NYLYVZMGXXVUDU-OAQYLSRUSA-N 369.534 3.509 0 40 FHAB COc1ccc(CN2CC[C@]3(CC(=O)N(c4ccc(C)s4)C3)C2)cc1 96050871 NPRNLZINQNNDCV-FQEVSTJZSA-N 356.491 3.694 0 40 FHAB Cc1cc(Nc2ncccn2)nc([C@@H]2CCCCN2Cc2cncs2)n1 257315890 VDEBZRQDQURFBD-HNNXBMFYSA-N 367.482 3.502 0 40 FHAB CC1(c2ncc(Cc3ccc(F)cc3)o2)CCN(c2ccncn2)CC1 257242865 IENLWWWNNLTYGR-UHFFFAOYSA-N 352.413 3.753 0 40 FHAB Cc1ncsc1C(=O)N1CCOC[C@H](Cc2ccc3ccoc3c2)C1 257267886 MJGFXTVHPYUCJA-OAHLLOKOSA-N 356.447 3.529 0 40 FHAB O=C(Nc1ccc2nc(C(F)(F)F)oc2c1)[C@@H]1COc2ccccc2O1 1130342957 FFNXTZZYTGRUCN-AWEZNQCLSA-N 364.279 3.625 0 40 FHAB COc1c(Cl)cccc1NC(=O)N[C@H](C[C@H]1CCCO1)C(F)(F)F 653952677 OWNNTKQXRLWVBZ-BXKDBHETSA-N 366.767 3.970 0 40 FHAB O=C(O)CCc1nc(-c2cc(-c3cccc4c3OCCCO4)cs2)no1 657207642 PHSGWIVJYCRFIL-UHFFFAOYSA-N 372.402 3.644 0 40 FHAB CC(C)(C)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 126894200 PMIGRGWFALSTLH-UHFFFAOYSA-N 353.304 3.576 0 40 FHAB O=C(NC[C@H](c1cccs1)n1cccn1)C1(c2ccc(F)cc2)CC1 575614133 OIRFRMQUDOQWMS-MRXNPFEDSA-N 355.438 3.521 0 40 FHAB Fc1cccnc1O[C@@H]1CSC2(C1)CN(Cc1cccc3[nH]ccc13)C2 585104006 FMXRGUZRDDIWEH-HNNXBMFYSA-N 369.465 3.841 0 40 FHAB Cc1sc2nc([C@H](C)N(C)CCc3ccc(F)cc3)[nH]c(=O)c2c1C 55024069 FBVWQHLBAYSDOY-LBPRGKRZSA-N 359.470 3.976 0 40 FHAB O=C([C@H]1CC=CCC1)N1CCC(Oc2ncccc2Br)CC1 96096990 NRAANRSNHAWQJJ-ZDUSSCGKSA-N 365.271 3.570 0 40 FHAB CN(Cc1ccccc1Cl)S(=O)(=O)c1cccc(Br)c1 3419370 FSPXPSNXHFUVQC-UHFFFAOYSA-N 374.687 3.923 0 40 FHAB COc1cc(S(=O)(=O)Nc2ccccc2Cl)c(OC)cc1Cl 12042870 QZINAJIDEDSUJW-UHFFFAOYSA-N 362.234 3.811 0 40 FHAB CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cccs2)C1=O 5306702 ULSKDNROISMVGM-IBGZPJMESA-N 374.437 3.707 0 40 FHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1 5701918 YODWQMOCBLRIEZ-UHFFFAOYSA-N 372.490 3.723 0 40 FHAB O=C1CC2(CCN(C(=O)c3cc(F)cc(F)c3)CC2)Oc2ccccc21 12113638 YOCAXIPQECVOMU-UHFFFAOYSA-N 357.356 3.605 0 40 FHAB CN1Cc2cccc(C(=O)NC3(c4ccc(F)cc4)CCCC3)c2C1=O 12143120 RBSDSVPNRGHQRL-UHFFFAOYSA-N 352.409 3.611 0 40 FHAB Cc1cnn(CCC(=O)N[C@@H](Cc2ccsc2)c2nc(C)cs2)c1 12227866 DVVGCTWHDMHTAB-HNNXBMFYSA-N 360.508 3.508 0 40 FHAB COc1ccc(C(=O)NC(=S)Nc2cccc(Br)c2)cc1 14553314 ALDZAPOBZDKTBT-UHFFFAOYSA-N 365.252 3.585 0 40 FHAB Cc1nc(Nc2nc(C)c(C)s2)ncc1C(=O)Nc1ccc(F)cc1 14607512 GUQTUKYFCPWCRS-UHFFFAOYSA-N 357.414 3.993 0 40 FHAB O=C(N[C@@H]1CCCN1C(=O)/C=C\c1ccccc1)OCc1ccccc1 17141412 YTKWGDJYGIPJIQ-QQBSYFJQSA-N 350.418 3.575 0 40 FHAB COc1ccc2[nH]cc([C@H]3CC[C@@H](NC(=O)c4c(Cl)cnn4C)C3)c2c1 19288567 GUSDMXCHRFUVRT-NWDGAFQWSA-N 372.856 3.630 0 40 FHAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)C3CC3)cc2n1 19452300 BDPQPLGYQUOIOM-AWEZNQCLSA-N 366.387 3.945 0 40 FHAB Cc1noc2nc(C3CCN(C(=O)[C@@H]4C[C@@H]4C)CC3)cc(C(F)(F)F)c12 19564532 LWOPAZZMHJFVIH-JOYOIKCWSA-N 367.371 3.912 0 40 FHAB CCOC(=O)c1n[nH]cc1-c1cncn1C[C@@H](C)Oc1ccccc1Cl 19719699 MHGBSLXCGFNCFZ-GFCCVEGCSA-N 374.828 3.571 0 40 FHAB COc1cccc([C@H]2CN(Cc3ccc(OC)cc3F)[C@@H]3CCCN[C@H]23)c1 19566467 ONWUTDFOJHTMAC-CEMLEFRQSA-N 370.468 3.563 0 40 FHAB C[C@H]1C[C@@H](C)CN(Cc2nc3ccccc3c(=O)n2Cc2ccco2)C1 14140012 ZYAQONAWOBYCQA-IYBDPMFKSA-N 351.450 3.516 0 40 FHAB Cc1ccc2cc(CCNC(=O)c3ccc(C(F)(F)F)cc3)c(=O)[nH]c2c1 4032853 UOOLQOJPVVFQBS-UHFFFAOYSA-N 374.362 3.828 0 40 FHAB CCOCC(=O)Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12 4353809 CFLHEWSIBTVPGH-UHFFFAOYSA-N 374.343 3.938 0 40 FHAB CNC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1CC[C@@H](C)C2 5055636 SHFVHXMASCMOKB-CYBMUJFWSA-N 356.491 3.804 0 40 FHAB COc1ccc(C(=O)OCc2cc(-c3ccc(OC)c(OC)c3)on2)cc1 12726630 JPCYFGCWBQKCLC-UHFFFAOYSA-N 369.373 3.724 0 40 FHAB O=C(CSc1nccn1Cc1ccccc1Cl)NCc1ccccc1 15825543 SZEGAIVMINNBPY-UHFFFAOYSA-N 371.893 3.993 0 40 FHAB C[C@H]1C[C@@H](C)CN(C[C@@H](O)COCCOc2ccc(C(C)(C)C)cc2)C1 17244347 FOXKGUAZRBDKEL-WSTZPKSXSA-N 363.542 3.718 0 40 FHAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)c1cccc(F)c1 22906941 INRSXGJYWMZXSQ-FQEVSTJZSA-N 364.420 3.948 0 40 FHAB CCOc1ccc(NC(=O)CSc2ccc(-c3nc(C)no3)cn2)cc1 49405506 CATJZOYBVZGIHI-UHFFFAOYSA-N 370.434 3.570 0 40 FHAB C[C@H](Cc1cc2ccccc2o1)NC(=O)c1cncc(Br)c1 575415720 XGMSMRBOVSIUPU-LLVKDONJSA-N 359.223 3.951 0 40 FHAB O=C(NCCCn1cccn1)c1ccccc1OCc1ccc(Cl)cc1 30170760 RNMWJHBZURZLDC-UHFFFAOYSA-N 369.852 3.936 0 40 FHAB Cn1nccc1CNC(=O)c1ccc(COc2ccccc2Cl)cc1 653943 HAGNRILINJWJAF-UHFFFAOYSA-N 355.825 3.583 0 40 FHAB CCCC(=O)Nc1sc(C(=O)NC2CCCCC2)c(C)c1C(=O)OC 871989 RQBBCOGMWAFBJU-UHFFFAOYSA-N 366.483 3.644 0 40 FHAB C[C@H]1CCc2c(sc(NC(=O)c3cc4c(s3)CCC4)c2C(N)=O)C1 8324947 KHUIKXFGKYUQLT-VIFPVBQESA-N 360.504 3.774 0 40 FHAB Cc1cc2ccccc2n2c(SCC(=O)N3CCC[C@@H](C)C3)nnc12 1223191 WQAFUWPWKRBQKU-CYBMUJFWSA-N 354.479 3.542 0 40 FHAB COc1cccc([C@H](CCc2cc(OC)c(OC)c(OC)c2)NC(C)=O)c1 2048216 WZFKZEAMKSEXAH-SFHVURJKSA-N 373.449 3.531 0 40 FHAB CC(C)Oc1ccc(C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)cc1 3485948 KVGKOJJMYXFPGC-FQEVSTJZSA-N 367.445 3.824 0 40 FHAB CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3C(C)(C)C)c2cc(C)ccc21 32092388 NTQFFTQCNMIIJU-FQEVSTJZSA-N 352.438 3.591 0 40 FHAB Fc1ccc(C2=C[C@@H](c3cccc(Br)c3)n3nnnc3N2)cc1 101104724 IILBBJSPUVQEFT-HNNXBMFYSA-N 372.201 3.631 0 40 FHAB CCc1c(C)nc(N)n2c(SCc3ccc(C(F)(F)F)cc3)nnc12 4966086 KOZIHQRNHKIVHC-UHFFFAOYSA-N 367.400 3.888 0 40 FHAB CC(=O)Nc1cccc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)c1 7706800 ZKQQJCLQUGOGQA-UHFFFAOYSA-N 371.780 3.705 0 40 FHAB CN(C)[C@@H](CNC(=O)c1ccc(-n2cccc2)cc1)c1cccc(F)c1 32729688 PKAGGRYWSKZLRQ-FQEVSTJZSA-N 351.425 3.649 0 40 FHAB O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)/C=C/c1ccc2ccccc2n1 32796954 OTAHTXAQHNXAJN-JLVIMGNISA-N 371.440 3.878 0 40 FHAB Cc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1NS(C)(=O)=O 10371602 AGUNDADSDPZEST-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB Cc1nc(CSc2nnc(Cc3cccc4ccccc34)n2N)cs1 8039523 APRRMVUVKZGMHJ-UHFFFAOYSA-N 367.503 3.793 0 40 FHAB O=[S@](CCOc1cccc(Cl)c1)Cc1nc(-c2ccsc2)no1 32801192 UGIQXXIUNLHYMQ-QHCPKHFHSA-N 368.867 3.779 0 40 FHAB CCOC(=O)c1sc2cccc(F)c2c1CN1C[C@@H](C)O[C@H](C)C1 22056572 VYRSHMJMLGCLMY-VXGBXAGGSA-N 351.443 3.826 0 40 FHAB CCC[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2ON1c1ccccc1 102722870 LTTLSGHQIKASEQ-RCCFBDPRSA-N 370.836 3.819 0 40 FHAB C[C@H]1C[C@@H]1C(=O)NC[C@H]1CC[C@H](c2ncncc2-c2ccccn2)CC1 100152668 XRILZVPAHAXQEN-NXOAAHMSSA-N 350.466 3.585 0 40 FHAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCCOc1ccc(C(C)(C)C)cc1 58061059 RHXKNTGBATXXFN-HZPDHXFCSA-N 362.514 3.563 0 40 FHAB Cc1sc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)nc1-c1ccccc1 23078704 UCOHWCUSJLSLCL-SCLBCKFNSA-N 373.503 3.511 0 40 FHAB CN(C)[C@H](CNC(=O)c1ccc(C2SCCS2)cc1)c1ccco1 21903075 HAFQTDSEYIJDDG-OAHLLOKOSA-N 362.520 3.791 0 40 FHAB C[C@@H](OC[C@@H](O)CN1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 12550699 XVFLPTFHXKTVFW-UTKZUKDTSA-N 374.912 3.601 0 40 FHAB Cc1cccnc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 12532796 QEQPYIRKXLXBAQ-UHFFFAOYSA-N 364.371 3.659 0 40 FHAB Cn1ccnc1[C@H](Nc1nccc(C(F)(F)F)n1)c1ccc(F)cc1 24055127 GJLFQPUTSIEBCP-CYBMUJFWSA-N 351.307 3.570 0 40 FHAB COC(=O)c1cc(OC)c(OC)cc1NC(=S)Nc1cccc(C)c1 1109759 PYYCBUVSAZOEKK-UHFFFAOYSA-N 360.435 3.608 0 40 FHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(OC)c(OC)c1 21307572 YYLRXENGXAFBAD-SFHVURJKSA-N 357.450 3.794 0 40 FHAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1cccnc1Cl 29299713 XBLXCBLVWINBRM-UHFFFAOYSA-N 354.719 3.742 0 40 FHAB Cc1ccc(Cn2nc(C)c(CNC[C@H](c3ccco3)N(C)C)c2C)cc1 22926666 NJAKSLNSFHBICU-OAQYLSRUSA-N 366.509 3.842 0 40 FHAB CC(=O)c1cc(F)ccc1OCC(=O)Nc1ccc(OC(F)F)cc1 10025818 DCUGKENUPGSLHL-UHFFFAOYSA-N 353.296 3.647 0 40 FHAB O=C(O)CCCC(=O)N1N=C(c2ccsc2)C[C@@H]1c1ccc(F)cc1 58161641 HNNVNDYEEXQXGE-MRXNPFEDSA-N 360.410 3.820 0 40 FHAB CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cnn(C(C)(C)C)c1 58296279 KABCBZPSYLLACE-UHFFFAOYSA-N 365.481 3.733 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)NC[C@@H](O)c1ccccc1C(F)(F)F 58222843 ZFEORFKQEYRMJL-QGZVFWFLSA-N 362.351 3.579 0 40 FHAB CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 44980764 PSDAQLNTNBGHTC-OAHLLOKOSA-N 352.862 3.698 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccccc1Cl)c1nc(-c2cccnc2)no1 58312152 KRPHBMFEOINNPH-OAHLLOKOSA-N 356.813 3.912 0 40 FHAB OCCOCCNCc1c(OCc2ccccc2F)ccc2ccccc12 10435635 GTUUQJMIBXXYBM-UHFFFAOYSA-N 369.436 3.656 0 40 FHAB O=C(Cc1c(F)cccc1Cl)Nc1cccc(OCCn2cccn2)c1 36397090 DJEBNBKFEMZCGR-UHFFFAOYSA-N 373.815 3.936 0 40 FHAB Cc1nc2ccccc2n1CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1 10737265 UJAQRZYSTSYOMW-ZDUSSCGKSA-N 357.841 3.582 0 40 FHAB COc1cccc([C@H]2C[C@H](c3cccc(Cl)c3)n3nc(N)nc3N2)c1 2396191 MZELGKBTALBKDW-HZPDHXFCSA-N 355.829 3.669 0 40 FHAB CCN1CCC(N(C(=O)c2ccc(Br)s2)C2CC2)CC1 48342953 LFJXTHCZPBPSMV-UHFFFAOYSA-N 357.317 3.600 0 40 FHAB CN(C(=O)c1cccs1)c1ccccc1C(=O)NCc1ccccc1 10815859 LVKSHJZUAZGERB-UHFFFAOYSA-N 350.443 3.955 0 40 FHAB Cc1noc(C)c1CC(=O)N(Cc1ccccc1Br)C1CC1 45397297 COXSMVJCOOLTCL-UHFFFAOYSA-N 363.255 3.788 0 40 FHAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1n[nH]c(-c2ccoc2)n1 48312520 BKNQFPWEAOAIFR-UHFFFAOYSA-N 351.391 3.749 0 40 FHAB COc1ccc(OC)c(NC(=O)CN(Cc2ccco2)C2CCCC2)c1 48367615 WOQBKILPVYCDHB-UHFFFAOYSA-N 358.438 3.680 0 40 FHAB COc1ccc(-n2cnnc2SCc2nnc(-c3cccs3)o2)cc1 3413103 HLRUZSZJDMQOJQ-UHFFFAOYSA-N 371.447 3.680 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)c1sc(NC(=O)C2CC2)cc1C 12931596 DYYHWIVTDRYEJV-LBPRGKRZSA-N 358.463 3.905 0 40 FHAB CCN(CC)Cc1ccc(CNC(=O)c2cc(Br)c[nH]2)cc1 12935300 TYJSSJDKCWJTLG-UHFFFAOYSA-N 364.287 3.549 0 40 FHAB CCOc1ccc(C(=O)N[C@@H](C(=O)Nc2cc(F)ccc2C)C(C)C)cc1 3566300 RMSARVBIVHSFPX-LJQANCHMSA-N 372.440 3.926 0 40 FHAB CC(C)c1nn(C)c(Cl)c1CNC1CCN(CC2CCCC2)CC1 63319713 ISLSZIORCAKQSS-UHFFFAOYSA-N 352.954 3.941 0 40 FHAB O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2CN(Cc3ccsc3)C[C@@H]21 306138792 SHSLKPLPLQUPTJ-LPHOPBHVSA-N 371.483 3.763 0 40 FHAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@H](c2cccnc2)N1 5071760 AZHLDQSAPUJWLU-FQEVSTJZSA-N 367.412 3.880 0 40 FHAB C[C@@H]1CCC[C@H](NC(=O)CSc2nnc(-c3ccccc3)n2C)[C@@H]1C 6140448 ZAMMALASRWSUMX-FMKPAKJESA-N 358.511 3.515 0 40 FHAB O=C(COCC(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 13844729 GGOKZRBQEKOAPU-UHFFFAOYSA-N 353.205 3.587 0 40 FHAB COc1ccccc1NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2 6430160 KNPYUYNYKWIFEA-UHFFFAOYSA-N 357.450 3.783 0 40 FHAB C[C@@H]1CC(=O)c2c(OCC(=O)N[C@H](C)c3ccc(F)cc3)ccc(F)c21 14110663 XJPSRTPRAWDLCZ-VXGBXAGGSA-N 359.372 3.911 0 40 FHAB O=C([C@H](Sc1nnc(-c2ccco2)o1)c1ccccc1)N1CCCC1 5473760 XDFKAZAZRHERDG-OAHLLOKOSA-N 355.419 3.785 0 40 FHAB COc1cccc(/C=C/C(=O)N2CCN(c3cccc(C)c3C)CC2)c1 4895708 UMTGEOUQATXAIR-ZHACJKMWSA-N 350.462 3.674 0 40 FHAB CCCN(CC(=O)Nc1ccccc1OC)C(=O)N1[C@@H](C)CCC[C@@H]1C 92320144 LNJWCLHJGMYYRA-HOTGVXAUSA-N 361.486 3.729 0 40 FHAB Cc1ccc(OCC(=O)OCC(=O)Nc2ccc(Cl)cc2F)cc1C 6932391 OFWQAEHIJQBBCF-UHFFFAOYSA-N 365.788 3.657 0 40 FHAB S=C1N(c2ccccc2)CN(C[C@@H]2CCCO2)CN1c1ccccc1 20523163 BUKZFCAMQOMTKR-IBGZPJMESA-N 353.491 3.694 0 40 FHAB CCCc1ccc(OCc2ccc(-c3nc4c5cn[nH]c5ncn4n3)o2)cc1 7263082 LIKWYQQZMPHWAZ-UHFFFAOYSA-N 374.404 3.792 0 40 FHAB O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)NCc1nc[nH]n1 70825096 JCZXZBKSKAXBTQ-GOSISDBHSA-N 372.881 3.597 0 40 FHAB COc1ccc(CCN2C(=O)c3ccccc3N[C@H]2c2ccccn2)cc1 7884489 PFWVBKVLBLKXHD-OAQYLSRUSA-N 359.429 3.899 0 40 FHAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 9314424 VDFYIRGOFCKINS-MNEFBYGVSA-N 374.440 3.632 0 40 FHAB CC(C)n1nccc1NC(=O)[C@@H](C)N(C)Cc1ccc(C(F)(F)F)cc1 96791703 GKRHOMATCHHPOV-CYBMUJFWSA-N 368.403 3.942 0 40 FHAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccccc1OC1CCCC1 71805094 TZJIGFGKEWGCJO-QVKFZJNVSA-N 367.445 3.853 0 40 FHAB C[C@@H]1CN(CC2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc2NC1=O 84715226 POXRICWRKQYTLJ-OAHLLOKOSA-N 373.497 3.728 0 40 FHAB CC(C)[C@@H](Sc1nnc(N(C)C)s1)C(=O)N(C)C1CCCCC1 78797268 WJOPQGNDSZFSHO-CYBMUJFWSA-N 356.561 3.512 0 40 FHAB COc1cccc2c1N(C(=O)CSc1ncccn1)C(C)(C)C=C2C 9938291 DKXVRMZXTXBEFY-UHFFFAOYSA-N 355.463 3.806 0 40 FHAB Cc1c(NC(=O)C(=O)Nc2cccc(C(C)C)c2)cnn1-c1ccccc1 89487984 YTWUDFQHCIMGLI-UHFFFAOYSA-N 362.433 3.881 0 40 FHAB CCCCCN1C(=O)S/C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O 409210360 JZBUCGPKUZFGPT-PTNGSMBKSA-N 365.451 3.939 0 40 FHAB O=C(NCc1cccc(N2CCCC2=O)c1)c1cccc(Br)c1 32313123 CYWPSLDXSXQLSI-UHFFFAOYSA-N 373.250 3.506 0 40 FHAB O=C(CSc1nc2ccccc2s1)NCc1cc(-c2ccco2)on1 38754396 XHHFUHACBJMSKW-UHFFFAOYSA-N 371.443 3.953 0 40 FHAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(C)cc2)cc1 35289384 OHABEKVBSOOCLT-SFHVURJKSA-N 353.422 3.639 0 40 FHAB Cc1nc([C@H]2CCCCN2CCCc2ccccc2)ncc1C(=O)N(C)C 72345468 MGCSYJOCOOWMOB-HXUWFJFHSA-N 366.509 3.647 0 40 FHAB C[C@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc(S(C)(=O)=O)cc1 32460614 GXPOBOMYDUYZJQ-INIZCTEOSA-N 371.502 3.779 0 40 FHAB CO[C@@H](CNC(=O)c1ccc(Br)o1)c1ccccc1Cl 121895791 QYROFGFQVXVIAG-LBPRGKRZSA-N 358.619 3.813 0 40 FHAB Cc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)c3ccncc3)C2)c1 72358716 CFFFRFXWRNBNCR-IBGZPJMESA-N 358.445 3.867 0 40 FHAB O=C(Nc1nnc(COc2ccccc2)o1)c1nc2ccccc2s1 61973990 AQTFUTFBUMJNSO-UHFFFAOYSA-N 352.375 3.511 0 40 FHAB O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2ccc(F)cc2)ns1 65233082 UJQUXNMJTVNSKO-UHFFFAOYSA-N 356.378 3.608 0 40 FHAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C2 42631314 DCTHVLSDKDXVPO-DFHBCGBQSA-N 371.449 3.628 0 40 FHAB CCOc1cc2c(cc1[C@H]1SCC(O)=Nc3[nH]nc(C)c31)O[C@@H](C)C2 49548119 CWKSQLJJHCGSAP-HUTHGQBESA-N 359.451 3.864 0 40 FHAB Cc1ncc(S(=O)(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)s1 328724215 ATUHFGPRMJHLPJ-AWEZNQCLSA-N 364.492 3.566 0 40 FHAB O=C(c1cccnc1)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 42380196 YTLWELKOZUWRGL-CQSZACIVSA-N 368.437 3.759 0 40 FHAB Cc1ccc(C(=O)c2ccccc2CN2CCC3(CC2)OCCO3)cc1 85651531 WHVJLNXWDPBAMJ-UHFFFAOYSA-N 351.446 3.565 0 40 FHAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 46128541 DANBPWQLYUWFJB-GFCCVEGCSA-N 372.387 3.690 0 40 FHAB CN(C(=O)CN1CCC(COCc2ccc(F)cc2)CC1)c1ccccc1 75156567 AUDZRZYRHUSBOW-UHFFFAOYSA-N 370.468 3.717 0 40 FHAB CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224889252 XVUFVTKYGVOWHU-UHFFFAOYSA-N 360.479 3.984 0 40 FHAB CCOc1ccc(S(=O)(=O)N(C)c2ccc(OC)c(Cl)c2)cc1 224595139 PLPATVFIOKGVNW-UHFFFAOYSA-N 355.843 3.572 0 40 FHAB COc1ccc(C[C@H]2CN(C(=O)c3ccc(C)cc3)CC[C@@H]2OC)cc1 96110557 MKDORVVCVYLBQC-FPOVZHCZSA-N 353.462 3.723 0 40 FHAB CCOc1cc(CNCc2ccc3cnn(C)c3c2)c2c(c1)C[C@H](C)O2 585085347 HYSKHXYDVXEEFV-AWEZNQCLSA-N 351.450 3.585 0 40 FHAB COc1cc2c(cc1OC)[C@H]1[C@@H](C)c3ccc4c(c3CN1CC2)OCO4 31539059 JTZZGWPIBBTYNE-FKIZINRSSA-N 353.418 3.649 0 40 FHAB biogenic CC1CCN(c2nc(O)c3c(n2)NC(=O)C[C@H]3c2ccc(Cl)cc2)CC1 670416107 LECYPMKAGSDHLJ-AWEZNQCLSA-N 372.856 3.546 0 40 FHAB C[C@@H]1CSc2ccccc2N1C(=O)c1ccc(N2CCOCC2)c(F)c1 674313253 XVFIREUYOYMBNT-CQSZACIVSA-N 372.465 3.803 0 40 FHAB CCCCOc1ccc(C(=O)NC[C@H](OCCO)c2ccc(C)cc2)cc1 96337786 RISJSMSOGPSWPW-NRFANRHFSA-N 371.477 3.654 0 40 FHAB COc1cccc([C@@H](CNC(=O)c2ccc(OC(F)(F)F)cc2)OC)c1 96390102 NVIHVNGPRNIUIV-MRXNPFEDSA-N 369.339 3.711 0 40 FHAB O=C(c1ccc2ccccc2c1)N1CCC[C@]2(CCN2C[C@H]2CCCO2)C1 585101759 DWYRCNGAGPJNNT-GGAORHGYSA-N 364.489 3.699 0 40 FHAB CCCCn1c(SCC(=O)N2CCO[C@@H]3CCCC[C@H]32)nc(C)c1C 53741238 IDAGPVDVVQJNAI-IAGOWNOFSA-N 365.543 3.562 0 40 FHAB Cc1ccc(CN(C(=O)c2sc(-c3ncccn3)nc2C)C2CC2)o1 55412140 BIPMPSSIANAMGN-UHFFFAOYSA-N 354.435 3.615 0 40 FHAB C[C@@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1nc2ccccc2[nH]1 63861105 JTOXSAISUNKCSI-JTQLQIEISA-N 370.352 3.996 0 40 FHAB CC(=O)N1CCN(C2CCCCC2)C[C@@H](Cc2cccc3cccnc23)C1 1615190261 FCFXANZBYRPQKB-IBGZPJMESA-N 365.521 3.890 0 40 FHAB CCN(Cc1csc(C)n1)[C@@H]1CCOC2(CCN(C(C)C)CC2)C1 1615190898 KPTQGCXTNNHHNF-GOSISDBHSA-N 351.560 3.695 0 40 FHAB CC(C)(C)NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12 5694413 ZFCVKQMKWZXBQN-UHFFFAOYSA-N 362.429 3.973 0 40 FHAB O=C(O)C[C@@H]1SC2=Nc3ccc(Cl)cc3[C@@H](c3ccccc3)N2C1=O 5775051 OAKXHCDPXAKZPG-GOEBONIOSA-N 372.833 3.849 0 40 FHAB O=C(Nc1nc(-c2cccs2)ns1)c1ccc(Br)o1 11914347 PTVRTOWGCCMMNZ-UHFFFAOYSA-N 356.226 3.874 0 40 FHAB Cc1cccn2c(NC(C)(C)C)c(C3CCN(C(=O)C4CC4)CC3)nc12 12127997 XEJXYGJBWPWORZ-UHFFFAOYSA-N 354.498 3.969 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1C 13059043 AEFPAZBYNAYIGM-UHFFFAOYSA-N 372.490 3.777 0 40 FHAB CCc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1CC 13992482 GVZKPLLJHPABRP-UHFFFAOYSA-N 359.282 3.898 0 40 FHAB CSCC[C@@H]1NC(=S)N(c2ccc(OCc3ccccc3)cc2)C1=O 14166825 LPXDWRIILYILPY-KRWDZBQOSA-N 372.515 3.608 0 40 FHAB Cc1nnsc1C(=O)N1CCS[C@@H](c2ccccc2Cl)CC1 206993180 VWHPFSKBZFEQOB-CYBMUJFWSA-N 353.900 3.820 0 40 FHAB C[C@H](N)[C@H]1CN(c2ncnc3cc(-c4ccc(Cl)cc4)sc23)CCO1 643017976 UOZWFSSZDCBKOF-XHDPSFHLSA-N 374.897 3.564 0 40 FHAB O=S(=O)(NCCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)s1 6847004 IEHOUQFQYMLPSE-UHFFFAOYSA-N 369.817 3.941 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(=O)n(Cc2ccccc2)n1 6865388 XSFBPLQSYPJIHD-UHFFFAOYSA-N 373.334 3.563 0 40 FHAB Cc1noc(C)c1S(=O)(=O)Nc1cccc(/C=C/c2ccccn2)c1 7054639 KJEANOVDVAGWEH-MDZDMXLPSA-N 355.419 3.658 0 40 FHAB NC(=O)c1ccccc1OS(=O)(=O)c1ccc(C2CCCCC2)cc1 16094605 GGULIMCSACUPMM-UHFFFAOYSA-N 359.447 3.601 0 40 FHAB Cc1ccc(C(=O)N2CCC[C@@](O)(COc3ccccc3)CC2)cc1F 2037912959 HCALTJQQOIIEAC-NRFANRHFSA-N 357.425 3.570 0 40 FHAB CO[C@@]1(COc2ccccc2)CCCN(C(=O)c2ccc(F)cc2F)C1 2037916046 JVPFXXDYXKJVIC-FQEVSTJZSA-N 361.388 3.665 0 40 FHAB Cc1ccc(S(=O)(=O)c2nc(-c3cccc(C)c3)oc2N(C)C)cc1 3066740 FGRADNMZJGNMHY-UHFFFAOYSA-N 356.447 3.857 0 40 FHAB Cc1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)sc2nc(-c3ccccc3)cn12 4003590 FBZLESXIWIWSTG-STQMWFEESA-N 355.463 3.621 0 40 FHAB COc1ccc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2C)cc1 4033072 WIZGIBDDVGSLKM-UHFFFAOYSA-N 358.401 3.966 0 40 FHAB Cc1ccc(CSc2ncnc3c2nnn3-c2ccc(F)cc2)cc1 4166713 WGZHVUKWPYOOAE-UHFFFAOYSA-N 351.410 3.950 0 40 FHAB CN(C)CCN(C(=O)CCc1ccccc1)c1nc2ccc(F)cc2s1 4359170 HNAHSLYPSYLFOY-UHFFFAOYSA-N 371.481 3.963 0 40 FHAB CNC(=O)c1ccsc1NC(=O)CCSc1ccc(Cl)cc1 4496600 DYYCCUWNJVKHGS-UHFFFAOYSA-N 354.884 3.882 0 40 FHAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cccc2ccccc12 5314795 GNZMUVMPTZIRBG-UHFFFAOYSA-N 366.442 3.632 0 40 FHAB C[C@@]1(C(=O)N2CCC3(CC2)CO[C@@H](COc2ccccn2)C3)CC=CCC1 2055750600 JBDUGWSBZAHTDB-WIYYLYMNSA-N 370.493 3.605 0 40 FHAB O=C(CCSc1ccccc1)Nc1cnc2cc(C(F)(F)F)nn2c1 225572125 NYIXKQYGLMXVAE-UHFFFAOYSA-N 366.368 3.869 0 40 FHAB Cc1ccc(Cl)cc1-n1nnc(-c2nc(-c3ccccc3)no2)c1N 4316563 GHKLEBXUGQWQAE-UHFFFAOYSA-N 352.785 3.528 0 40 FHAB CC[C@H](Sc1nnc(NC(=O)Nc2ccc(C)c(C)c2)s1)C(=O)O 5254009 RWUYBSBOLKYFFW-NSHDSACASA-N 366.468 3.754 0 40 FHAB Cc1ccc(C(=O)NCC(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1 29354780 ZAYITMDDMYNKIP-UHFFFAOYSA-N 369.421 3.626 0 40 FHAB O=C(Nc1ccccc1)OCCN1C(=O)c2cccc3cccc(c23)C1=O 20031683 IGVMIQVYJMCIIR-UHFFFAOYSA-N 360.369 3.685 0 40 FHAB O=C(CCc1nc(Cc2ccccc2)no1)N1CCC[C@@H]2CCCC[C@H]21 40107292 MDYCKVQACLBZPB-ZWKOTPCHSA-N 353.466 3.774 0 40 FHAB Cc1cccc2c(=O)[nH]c(CSc3nnc(C4CCCCC4)o3)nc12 7241890 SSCKRKRSYDTGJK-UHFFFAOYSA-N 356.451 3.955 0 40 FHAB Cc1ccc(C)c(OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1C 11233416 WYTRQWQYEXOADO-UHFFFAOYSA-N 352.434 3.522 0 40 FHAB COc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 780430 NFUBQDNWLAIETD-UHFFFAOYSA-N 372.852 3.840 0 40 FHAB Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)NC3CCCC3)n12 902987 WMOOIUFTIBNIOG-UHFFFAOYSA-N 368.506 3.959 0 40 FHAB COc1cc(-c2cc(=NC[C@H]3CCCO3)c3ccccc3o2)ccc1O 937842 HGPDZYFENFMJGK-OAHLLOKOSA-N 351.402 3.894 0 40 FHAB biogenic,in-vitro O=C(O)CCSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1 2709013 JRLVFZICWCHDEC-UHFFFAOYSA-N 360.826 3.550 0 40 FHAB Cn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccc(Cl)cc1 3506976 SIHPWWLYLOTXOE-UHFFFAOYSA-N 364.902 3.677 0 40 FHAB COc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(C)cc23)cc1OC 4313326 QYQMHHOGPKLFST-YWZLYKJASA-N 354.406 3.782 0 40 FHAB C[C@@H](Nc1ccc2c(c1)OC(F)(F)O2)C(=O)Nc1c(F)cccc1F 29456819 TVHHORVZWJAFHC-MRVPVSSYSA-N 356.275 3.725 0 40 FHAB CC1CCN(C(=O)/C(=C\c2ccccc2F)NC(=O)c2ccccc2)CC1 4696989 KDUQLODBOPWRKI-HMMYKYKNSA-N 366.436 3.855 0 40 FHAB CC(=O)c1cccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c1 6544126 BCVLMVYGXPUWPU-UHFFFAOYSA-N 367.430 3.594 0 40 FHAB CCNc1c(NS(=O)(=O)c2ccc(C)c(C)c2)c(=O)oc2ccccc12 6784666 NAENVXIECMHGAD-UHFFFAOYSA-N 372.446 3.642 0 40 FHAB CCOC(=O)c1cccc(NS(=O)(=O)Cc2ccccc2Cl)c1C 10112310 GHNXLSNUIVEYNF-UHFFFAOYSA-N 367.854 3.767 0 40 FHAB COc1ccc(C(=O)NCCc2cc3cc(C(C)C)ccc3[nH]c2=O)cc1 41170991 IHCSBGRYRXXBCT-UHFFFAOYSA-N 364.445 3.633 0 40 FHAB Cc1c(Cl)c(CSc2nnc(C(F)(F)F)n2N)nc2ccccc12 8526886 RDBKTSFINPEELC-UHFFFAOYSA-N 373.791 3.813 0 40 FHAB CCOc1ccc(OCCC(=O)Nc2ccc(N3CCCCC3)nc2)cc1 32883863 FYVDHRPUGTVMFX-UHFFFAOYSA-N 369.465 3.878 0 40 FHAB Cc1nc(/C=C/C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)cs1 10823717 PNYACAWRYRELAR-AATRIKPKSA-N 350.827 3.608 0 40 FHAB COc1cccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)c1 2635106 CFALEEDFDDQTSD-UHFFFAOYSA-N 355.507 3.646 0 40 FHAB Cc1cc2oc(=O)cc(CN3C(=O)NC4(CCCC4)C3=O)c2cc1C(C)C 2646358 BWIGIPKXVRYPTD-UHFFFAOYSA-N 368.433 3.589 0 40 FHAB Cc1cnc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)s1 2654346 DFSYEPZFKWRTQX-ZDUSSCGKSA-N 363.870 3.596 0 40 FHAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)NC1C2CC3CC(C2)CC1C3 2781637 GPGPPKSXRLXGIG-YVWFZZAJSA-N 355.404 3.712 0 40 FHAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H](C)COc1ccc(OC)cc1 20036113 NACFOPOMXWVSCO-CVEARBPZSA-N 357.450 3.609 0 40 FHAB CN(CCOc1ccc(F)cc1)C(=O)c1cc(C2CC2)nn1C(C)(C)C 59037200 TZHUPJCEROGUKH-UHFFFAOYSA-N 359.445 3.806 0 40 FHAB O=C(Cc1csc(N2CCCC2=O)n1)OCc1cccc2ccccc12 7569549 LWILUOGWRWNVNU-UHFFFAOYSA-N 366.442 3.709 0 40 FHAB CN(C)C(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2Cl)c1 22509942 BSNFCQCBFLPMTF-UHFFFAOYSA-N 351.233 3.876 0 40 FHAB CC(C)c1ccc(NC(=O)C(=O)NCCOc2ccc(Cl)cc2)cc1 59488432 WHTCFVJGYGWQMH-UHFFFAOYSA-N 360.841 3.597 0 40 FHAB COc1ccc(-c2ccc3c(N)c(C(=O)NC(C)C)sc3n2)cc1OC 804057 CFFHVEUOORRBRV-UHFFFAOYSA-N 371.462 3.701 0 40 FHAB CCOC(=O)c1c(C)nc(Nc2nc(C)c3cc(C)cc(C)c3n2)nc1C 20634079 WZQGFWYOURKLMH-UHFFFAOYSA-N 365.437 3.882 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1 24840864 JFOHLSLCYVBBBK-CYBMUJFWSA-N 372.446 3.773 0 40 FHAB CC1=C[C@@H](c2ccccc2)n2nc(NC(=O)/C=C/c3ccccc3)nc2N1 100857924 GACYIVABTZUOHR-HHNLSAEISA-N 357.417 3.849 0 40 FHAB COc1ccc(CN(C)[C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)cc1 24990740 UGUQPXYOAXEZGN-OAQYLSRUSA-N 374.440 3.612 0 40 FHAB COc1ccccc1[C@H](CNC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C2)N1CCCCC1 102779642 RMXACZLFLZOSLX-LFGUQSLTSA-N 356.510 3.775 0 40 FHAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 12521411 HBYQXBCGSWWSFH-UHFFFAOYSA-N 359.325 3.513 0 40 FHAB COc1cccc(-c2nnc(SCc3cn4cc(C)ccc4n3)n2C)c1 12532213 FBLHPQNMYSZRHB-UHFFFAOYSA-N 365.462 3.739 0 40 FHAB Cc1cc(C)cc(NC(=O)[C@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)c1 26534461 UCYYLQDSIMAEQS-BZSISCHUSA-N 354.494 3.963 0 40 FHAB CCc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1cc(OC)c(OC)c(OC)c1 20459088 WIYBJWNXYVNYRM-HXUWFJFHSA-N 366.461 3.991 0 40 FHAB O=C(CCn1c(=O)oc2ccccc21)N1CCCSc2ccccc21 57741236 QLYHFDYAXASKOG-UHFFFAOYSA-N 354.431 3.514 0 40 FHAB CC(C)(NCc1cc(Cl)c2c(c1)OCCO2)c1ccc2c(c1)OCO2 58143420 FBSGZJDBPDTSFF-UHFFFAOYSA-N 361.825 3.865 0 40 FHAB C[C@H]1CCCCN1C(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 12601792 WONLJMFMYNSLQU-IINYFYTJSA-N 372.412 3.909 0 40 FHAB Fc1ccc(OCc2nnc3sc(Cc4ccccc4F)nn23)cc1 2182947 MVBFDAMCASRGCQ-UHFFFAOYSA-N 358.373 3.634 0 40 FHAB CC(C)CC(=O)NC(=S)Nc1ccccc1C(=O)Nc1ccccc1 2136418 AVEPIRUGHKMVQU-UHFFFAOYSA-N 355.463 3.798 0 40 FHAB CCCCCOc1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2)cc1 3309939 YYPMEVFGQUPURH-UHFFFAOYSA-N 373.424 3.868 0 40 FHAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10546380 KJGKXLAXYVSYIV-MRXNPFEDSA-N 371.444 3.973 0 40 FHAB O=C(/C=C/c1cc2ccccc2o1)N1CCC[C@@H]1c1nnc2ccccn12 26078912 ZVKKZXNNYHIKHG-SXSDINLZSA-N 358.401 3.852 0 40 FHAB COc1ccc(-c2nn3c(-c4ccccc4OC)nnc3s2)cc1OC 2393688 XZWAYPUGZXWGHW-UHFFFAOYSA-N 368.418 3.546 0 40 FHAB CC(C)(NC(=O)c1ccccc1Br)c1nc2ccccc2[nH]1 2370012 HDSLLDUCJQCPCS-UHFFFAOYSA-N 358.239 3.991 0 40 FHAB COC(=O)c1sccc1NC(=O)c1cc(C2CC2)nn1-c1ccccc1 12756104 OPFXOANQDQMWPF-UHFFFAOYSA-N 367.430 3.850 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Nc1ccc2c(c1)OCCCO2 48362461 UIUFTDUBVZZFJY-IRXDYDNUSA-N 368.477 3.786 0 40 FHAB COc1ccc(/C=C/C(=O)NCc2ccc(OC(F)F)cc2)cc1OC 12894675 QMPJMLMCCYNEEK-UXBLZVDNSA-N 363.360 3.635 0 40 FHAB C[C@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccc(F)c(F)c1 12983098 UNCFUHCJKIEKPE-NSHDSACASA-N 359.401 3.903 0 40 FHAB Cc1ccc(-c2nnc(SCCOc3ccccc3F)nc2O)cc1 12976503 CBGGESWAVGURDA-UHFFFAOYSA-N 357.410 3.863 0 40 FHAB O=C(O)c1ccc(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 3882302 GEKAWNLLVQPPQC-INIZCTEOSA-N 361.397 3.933 0 40 FHAB COc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)C2CCC(C)CC2)cc1 3895889 WATBNCWKBIZLNW-LADRWXRNSA-N 360.498 3.991 0 40 FHAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(OC(F)(F)F)cc1 4121564 YAHOETWQDSZANG-UHFFFAOYSA-N 366.295 3.522 0 40 FHAB CSc1cccc(NC(=O)COC(=O)c2cc(Cl)ccc2O)c1 7985374 CVHKJRSRHKPIPE-UHFFFAOYSA-N 351.811 3.563 0 40 FHAB CCOC(=O)Nc1ccc2c(c1)nc1n2CCN(c2cccc(OC)c2)C1 13734150 XPISHDALBPFGIB-UHFFFAOYSA-N 366.421 3.634 0 40 FHAB O=C(COc1ccccc1)Nc1nc([C@@H]2COc3ccccc3O2)cs1 20447606 GQSBNYLAEGKOIM-KRWDZBQOSA-N 368.414 3.673 0 40 FHAB Cc1ccc(C)c(-n2ncc3c2ncn2c(CCc4ccccc4)nnc32)c1 5306514 PSQXQYGUOAZHNN-UHFFFAOYSA-N 368.444 3.865 0 40 FHAB Cc1cc(C)n2c(n1)nc(=S)n2CN1CC=C(c2ccccc2)CC1 14187194 BHFBOMOHOUGBDT-UHFFFAOYSA-N 351.479 3.624 0 40 FHAB Cc1cc(=O)c(C(=O)Nc2ccc(F)cc2)nn1-c1ccc(Cl)cc1 5403574 AQPIAZJEFFLGFG-UHFFFAOYSA-N 357.772 3.586 0 40 FHAB O=c1c2c(nc3n1CCS3)c1ccccc1n2Cc1cccc(F)c1 5482711 SEBFWAVPDBGSCK-UHFFFAOYSA-N 351.406 3.644 0 40 FHAB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(COC(C)C)cc1 14244199 RHVDFXLWTKKBFN-UHFFFAOYSA-N 354.450 3.597 0 40 FHAB Cc1ccc2[nH]c(S[C@H](C(=O)N3CCOCC3)c3ccccc3)nc2c1 6649724 GVWCTOGDMPUMHZ-SFHVURJKSA-N 367.474 3.564 0 40 FHAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(OC)c1 4741598 FVMPYBMUZZKYFK-LJQANCHMSA-N 363.417 3.897 0 40 FHAB O=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 5673671 XKKQQKZPZPGGNH-UHFFFAOYSA-N 350.599 3.832 0 40 FHAB CCc1ccccc1NC(=O)[C@@H]1CS[C@@]2(c3cccs3)CCC(=O)N12 6787891 SWAYUSVEXOSIDF-HNAYVOBHSA-N 372.515 3.840 0 40 FHAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(N2CCCCC2)cc1 6822296 MYTZCEFEODOMDA-MRXNPFEDSA-N 366.465 3.826 0 40 FHAB CCOC(=O)c1oc2ccccc2c1COC(=O)c1cn2ccccc2n1 6972440 QECUSHZDJLCVTN-UHFFFAOYSA-N 364.357 3.614 0 40 FHAB COc1cc(N[C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)c(OC)cc1Cl 5937275 QXCREYCAKAGJPB-RWMBFGLXSA-N 354.878 3.662 0 40 FHAB Cc1ccccc1CS[C@@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 7025810 RHVUUCWWBBJJHH-AWEZNQCLSA-N 363.504 3.871 0 40 FHAB CC(C)Nc1ccc(C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)cn1 81958737 KOTFDIQNTIEDMU-KRWDZBQOSA-N 367.449 3.650 0 40 FHAB CCN(CC)C(=O)c1cccc(NC(=O)CN2CCCc3ccccc32)c1 7115113 MUGAMSNYCCKEQM-UHFFFAOYSA-N 365.477 3.560 0 40 FHAB O=C(Nc1ccccc1OC(F)F)c1ccc(NC(=O)C2CC2)s1 8772640 NKHARMXXYLZJMW-UHFFFAOYSA-N 352.362 3.950 0 40 FHAB O=C(COC(=O)c1cccc2ccccc12)Nc1cccc2nsnc12 19106913 SPIQSYHXLLPTGX-UHFFFAOYSA-N 363.398 3.640 0 40 FHAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)[C@H]1COc2ccccc2O1 9048151 MPERXIXVYZLSAI-IEBWSBKVSA-N 369.417 3.933 0 40 FHAB c1ccc(OCc2nnc3sc(-c4ccc5ccccc5n4)nn23)cc1 9484928 QDBGHQGRWDVBFH-UHFFFAOYSA-N 359.414 3.980 0 40 FHAB CCCCNC(=O)Nc1cnn(Cc2ccc(Br)cc2)c1 27920925 FDYIEBBUAVMEHR-UHFFFAOYSA-N 351.248 3.616 0 40 FHAB O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CC[C@H]2OCCC[C@H]2C1 97019294 UBMUZPOCKOVNOM-LAUBAEHRSA-N 361.445 3.667 0 40 FHAB CC[C@H]1CN(c2ncnc3c2oc2ccccc23)[C@H](CC)CN1C(C)=O 72310208 DLDJCWMYUVNOTC-LSDHHAIUSA-N 352.438 3.602 0 40 FHAB COC(=O)[C@H](CNC(=O)Nc1ncc(-c2ccccc2)s1)CC(C)C 72304730 RZAHGVTWAWUIHI-AWEZNQCLSA-N 361.467 3.767 0 40 FHAB O=C(c1ccc(N2CCCCCC2)nc1)N1CC[C@H](Nc2ccccc2)C1 76969643 OVFGFXCBRNLERQ-FQEVSTJZSA-N 364.493 3.789 0 40 FHAB Cc1ccc(F)c(C(=O)O[C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)c1N 89626658 WRKNNHGFKCHPJY-UONOGXRCSA-N 370.424 3.630 0 40 FHAB CSc1ccccc1C(=O)N1CC[C@H](N2CCc3ccccc3C2)C1 408612300 VHFKSWSAXNBYQM-SFHVURJKSA-N 352.503 3.681 0 40 FHAB Cc1ccc(-c2nnc(CN(C)C(=O)COc3cc(C)ccc3C)o2)cc1 408714028 GWCWUZHIMNLLJQ-UHFFFAOYSA-N 365.433 3.699 0 40 FHAB CC(F)(F)[C@@]1(O)CC(c2ccccc2)=NN1C(=O)c1cccc(Cl)c1 409000692 FMJAKWGCPPVSNN-SFHVURJKSA-N 364.779 3.934 0 40 FHAB O=C(NCCCCOc1ccc(F)cc1)c1ccc(C(F)(F)F)nc1 73502838 YFRVAVPETKQWGC-UHFFFAOYSA-N 356.319 3.829 0 40 FHAB COc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 39761845 DDAHUIAQZZRDFY-MRXNPFEDSA-N 370.468 3.924 0 40 FHAB O=C(NCC1CCN(c2ccncc2)CC1)c1ccccc1C(F)(F)F 70928618 GAXROEZPSSKDDE-UHFFFAOYSA-N 363.383 3.747 0 40 FHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 219593336 JAMOYGYAAAMXLD-LJQANCHMSA-N 352.434 3.918 0 40 FHAB COc1ccc(Cl)cc1NC(=O)Cc1noc(-c2ccccc2C)n1 34791746 RUVPEYJMZKHMPT-UHFFFAOYSA-N 357.797 3.888 0 40 FHAB CC[C@@H](Oc1ccccc1)C(=O)NCC1(c2ccccc2)CCOCC1 224197499 CMAJLQZHHMWGHR-HXUWFJFHSA-N 353.462 3.709 0 40 FHAB CCOc1ccc(NC(=S)N[C@H](C)COc2ccccc2OC)cc1 225785735 FZYBBSBYRHKAFL-CQSZACIVSA-N 360.479 3.848 0 40 FHAB O=C(Cc1cccc(-c2nc3cc(Cl)ccc3o2)c1)N1CCOCC1 41127660 RDWMZZYOVOVTBB-UHFFFAOYSA-N 356.809 3.550 0 40 FHAB CCCCNC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(C)cc2)c1 224309335 RYGOEVNQCVNPEJ-UHFFFAOYSA-N 374.506 3.658 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)COc2ccc3c(c2)CCCC3)cc1 223325916 QIWVYZXKCFGZQB-MRXNPFEDSA-N 369.461 3.537 0 40 FHAB CCCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCc1ccc(OC)cc1 222753034 CSMFFJFNCDCARG-QGZVFWFLSA-N 368.477 3.529 0 40 FHAB COc1ccc(NC(=O)CCc2nc(-c3ccccc3C)no2)cc1OC 41184361 BUWSASCGNWDIOG-UHFFFAOYSA-N 367.405 3.634 0 40 FHAB CC1CCN(CCCNC(=O)[C@H](C)Oc2cccc3c2CCCC3)CC1 223179913 MMVREYJUZGZLCW-SFHVURJKSA-N 358.526 3.571 0 40 FHAB CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(CN2CCCCC2)cc1 91468927 SQGOIOPFKKNJCU-HXUWFJFHSA-N 368.525 3.714 0 40 FHAB Cc1ncsc1CN1CC2(C1)OCC[C@@H]2CCOCC1CCCC1 248028308 LDOQHHVCWIQCEH-KRWDZBQOSA-N 350.528 3.639 0 40 FHAB Cc1cc([C@@H]2CCCCN2Cc2cc[nH]n2)nc(-c2c(C)noc2C)n1 257311263 UISKWJLIIAXABD-KRWDZBQOSA-N 352.442 3.507 0 40 FHAB O=C(c1nccc2ccccc12)N1CCC[C@@H](c2ccc3cn[nH]c3n2)C1 257332695 XYHHUEQQNHFAEG-MRXNPFEDSA-N 357.417 3.526 0 40 FHAB C[C@]12C[C@@H](c3ccccc3)N(Cc3ccc(O)cc3)[C@H]1CCCC(=O)N2 257303390 SHAFFUJAKJUEJH-ONTIZHBOSA-N 350.462 3.767 0 40 FHAB Cc1nc(C)c(C(=O)N2C[C@H]3C[C@H](OCc4ccccc4)C[C@H]3C2)s1 257271914 NAIJRZGUDLOGGT-PIIMJCKOSA-N 356.491 3.827 0 40 FHAB CC(C)(C)C(=O)N1CC[C@H](Cc2cccc(-c3ccccc3C(=O)O)n2)C1 257238784 HMNCBCJXYHNBAE-OAHLLOKOSA-N 366.461 3.884 0 40 FHAB Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cnn(-c3cccnc3)c2)o1 675257517 LSETVGFRPQUIFA-RDTXWAMCSA-N 350.422 3.782 0 40 FHAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cc2ccccc2c(=O)o1 683373057 IENGPFSQMDDZGH-SFHVURJKSA-N 350.418 3.889 0 40 FHAB FC(F)(F)Oc1cccc(C2(c3nc(-c4cncnc4)no3)CCC2)c1 624661914 XKGRJPRBGBWRHY-UHFFFAOYSA-N 362.311 3.895 0 40 FHAB Cc1nccc(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)n1 1615158059 PYEHKPKADMMZDD-NRFANRHFSA-N 368.456 3.588 0 40 FHAB Cc1ccc(NC(=O)CSc2nnnn2-c2c(C)cccc2C)c(C)c1 5168312 QQGIEHFBSGOUHQ-UHFFFAOYSA-N 367.478 3.627 0 40 FHAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)N3CCCCC3)C2)n1 12088582 UWVRNVUOMRAFKB-GOSISDBHSA-N 365.481 3.632 0 40 FHAB COc1cc(/C=C/C(=O)N[C@@H]2CCCc3ccccc32)cc(OC)c1OC 3428305 AFHZHIYYMVWJKX-IENJSVCTSA-N 367.445 3.919 0 40 FHAB Cc1ccc([C@@H](C)CCN2CCC(O)(Cn3ccc4ccncc43)CC2)o1 19216279 JHJVTFBCUWPLMO-KRWDZBQOSA-N 367.493 3.958 0 40 FHAB CC(C)NC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)C(C)(C)O2 19450201 QQQRMBWBDNLWDE-UHFFFAOYSA-N 370.424 3.668 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)C[C@H](C)n2nc(C)cc2C)c(OC)c1 19572843 RDODCXKTBBCFIE-LPHOPBHVSA-N 371.481 3.832 0 40 FHAB Cc1c(C(=O)N2CCC(CCn3ccnc3C)CC2)[nH]c2ccccc12 12147507 WMWAATLZLHUDQY-UHFFFAOYSA-N 350.466 3.924 0 40 FHAB Fc1cc(Cl)cnc1N1CC[C@H](Oc2ccncc2Br)C1 1888850335 DBZQCBWPRCXFLB-JTQLQIEISA-N 372.625 3.689 0 40 FHAB CC(=O)N1CCC(CN2CCC(c3cccc(C(F)(F)F)n3)CC2)CC1 1850016997 UCWLVZFEMPZESO-UHFFFAOYSA-N 369.431 3.538 0 40 FHAB O=C(N1CCC2(CC1)OCCN(CC1CC1)c1ccccc12)C1(F)CCC1 1565555865 RGRLWJCDBZDLBF-UHFFFAOYSA-N 372.484 3.643 0 40 FHAB CC(=O)N(C)Cc1nc2ccccc2n1CCOc1ccc(C)c(C)c1 9250279 JVFYGFITSJSXOW-UHFFFAOYSA-N 351.450 3.710 0 40 FHAB O=C(Nc1nnc([C@H]2CCCO2)o1)c1ccc(Oc2ccccc2)cc1 10970993 WITYCWXZCXDOLM-MRXNPFEDSA-N 351.362 3.966 0 40 FHAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)CC(C)(C)C)ccc21 17286698 JFWOTIJIRNTPRU-UHFFFAOYSA-N 352.500 3.554 0 40 FHAB Clc1cccnc1OC[C@H]1CCCN(c2nc(C3CC3)ns2)C1 2298188692 XIASHLGSLSWJSY-NSHDSACASA-N 350.875 3.759 0 40 FHAB Cc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1 9708965 DVHKWVHXZNEQMC-UHFFFAOYSA-N 362.437 3.504 0 40 FHAB O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 7052166 XPUCITLNQJJEKY-JXMROGBWSA-N 351.811 3.524 0 40 FHAB O=C(NCc1cccs1)Nc1ccccc1I 40087088 YPABBAYLHIZSMA-UHFFFAOYSA-N 358.204 3.674 0 40 FHAB COC(=O)CC1CCN(C(=O)/C=C/c2c(Cl)cccc2Cl)CC1 40157789 FPYXKKGGLFQUSX-AATRIKPKSA-N 356.249 3.808 0 40 FHAB CCOC(=O)N1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 20145965 RCTXPTYJKYPRFY-UHFFFAOYSA-N 354.450 3.540 0 40 FHAB CCOc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 30867963 JGYZUQZPSUSXLI-INIZCTEOSA-N 366.461 3.699 0 40 FHAB CCc1ccc(NC(=O)CSc2nnc3[nH]c4ccccc4n23)cc1 3599267 VZKJKVBXIKMJCC-UHFFFAOYSA-N 351.435 3.504 0 40 FHAB COc1cc(C(=O)NCc2ccc(Cl)cc2Cl)cc(OC)c1OC 3603126 JUQAVYVHNCYZAP-UHFFFAOYSA-N 370.232 3.949 0 40 FHAB CC[C@@H]1CCc2sc(C(=O)O[C@H](C)C(=O)Nc3cc(C)no3)cc2C1 32876061 NRBMBQRJQBBMEO-VXGBXAGGSA-N 362.451 3.743 0 40 FHAB Cc1nc(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)sc1C 32859850 YTNSGRJCEZKHAX-GFCCVEGCSA-N 367.883 3.855 0 40 FHAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(C(C)(C)C)no3)n2)cc1 8395330 KSTVKWUUJQINBM-UHFFFAOYSA-N 371.466 3.796 0 40 FHAB CCOc1cccc2c(C)nc(Nc3nc(C)c(C(C)=O)c(C)n3)nc12 10157435 AKJJPRZBEDMWHH-UHFFFAOYSA-N 351.410 3.690 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(N2CCCCC2)nc1 32914412 QWFMYYRNZAUTDF-UHFFFAOYSA-N 362.433 3.683 0 40 FHAB O=C1C[C@H](c2cc(F)cc(F)c2)Cc2c1cnn2-c1nc2ccccc2[nH]1 9938848 PUAJPZXWMAGGKK-GFCCVEGCSA-N 364.355 3.940 0 40 FHAB COc1ccc(Cl)cc1NC(=O)c1nnn(-c2ccccc2F)c1C 2713218 PBAPXYUSCAPSTF-UHFFFAOYSA-N 360.776 3.629 0 40 FHAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3Cl)CC2=O)cc1 806728 KTXRJHJKUFLUQZ-ZDUSSCGKSA-N 358.825 3.730 0 40 FHAB O=C(Nc1nc2ccccc2s1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 24361775 YZUQMDWXEYBZKJ-HNNXBMFYSA-N 367.430 3.666 0 40 FHAB COC(=O)c1cccc(NC(=O)N[C@H](C)c2cccc(OC(F)F)c2)c1 58158782 ALANDBJNYAAEJO-LLVKDONJSA-N 364.348 3.957 0 40 FHAB CC(C)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1 106769838 NWBXQJFRAOIYIB-ATVHPVEESA-N 372.490 3.859 0 40 FHAB C[C@H]1COc2ccccc2N1S(=O)(=O)c1cc(Cl)ccc1Cl 1389043 WBKXXFSSXNQMPW-JTQLQIEISA-N 358.246 3.970 0 40 FHAB O=C(NCc1ccc(F)cc1)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 56358368 HVTCVUVQTQCGQX-LJQANCHMSA-N 356.397 3.547 0 40 FHAB CCn1cc(-c2cc(O)n3nc(-c4ccccc4OC)c(C)c3n2)c(C)n1 100733060 BWBKFQHLOQFYLZ-UHFFFAOYSA-N 363.421 3.611 0 40 FHAB O=C(NC1CCN(C(=O)c2occc2-c2ccccc2)CC1)c1ccccc1 22699704 RAJVJPOXOVAFAD-UHFFFAOYSA-N 374.440 3.981 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Cn1cc(Br)cn1 28237309 UZCJYVWPGWGTGI-SNVBAGLBSA-N 356.651 3.882 0 40 FHAB CC(C)c1ccc([C@H](O)CN2C(=O)[C@@H](C)N(c3ccc(F)cc3)C2=O)cc1 44263990 ANOZYAJJYPVCHL-AUUYWEPGSA-N 370.424 3.840 0 40 FHAB CC(C)CC(=O)N(Cc1ccc(C(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 28228480 VKEDBMOTHAGMJP-SFHVURJKSA-N 365.539 3.546 0 40 FHAB Cc1cc(C)c(OCc2nn3c(-c4ccncc4)nnc3s2)c(C)c1 26966130 ROHIAYLGUJYGLI-UHFFFAOYSA-N 351.435 3.752 0 40 FHAB COc1ccc(NC(=O)[C@@H](C)Nc2ccc3oc(C)nc3c2)cc1OC 12528393 XWVUIGZJCMGPBI-LLVKDONJSA-N 355.394 3.593 0 40 FHAB O=C(c1ccccc1Cl)n1c(=O)oc2cc(Br)ccc21 2257042 NAVIUGRIDQIHJI-UHFFFAOYSA-N 352.571 3.699 0 40 FHAB C[C@@H](NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C1CC1 8204485 ODCUYCNGTPCWHB-CYBMUJFWSA-N 357.837 3.865 0 40 FHAB O=C(COC(=O)c1cc(Cl)cc(Cl)c1)Nc1ccc2c(c1)OCO2 3371558 KUVPQQVNGTVCMW-UHFFFAOYSA-N 368.172 3.518 0 40 FHAB C[C@H](C(=O)Nc1cccc(F)c1)N1CCC(C(=O)Nc2ccccc2)CC1 12797131 LNFJBPSSIMBBEO-OAHLLOKOSA-N 369.440 3.503 0 40 FHAB CCOc1ccc(OCC(=O)N2CCC(Nc3ccccc3)CC2)cc1 48292453 PLMGIOCCUZTJAY-UHFFFAOYSA-N 354.450 3.567 0 40 FHAB CN(CN1C(=O)C(=O)c2ccccc21)C(c1ccccc1)c1ccccc1 12808574 NNFYXMAXHTZUIE-UHFFFAOYSA-N 356.425 3.895 0 40 FHAB COc1ccc2nc(SCC(=O)NCc3ccccc3Cl)[nH]c2c1 3493590 YKDIJHMWPDNLMI-UHFFFAOYSA-N 361.854 3.633 0 40 FHAB O=C1C[C@H](C(=O)OCc2nc3ccccc3s2)c2ccc(F)cc2N1 12933376 WHASJUBSYXYNKX-LBPRGKRZSA-N 356.378 3.605 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)COc1ccc(C)c2c1C(=O)C[C@H]2C 12917672 ADDAXVYJROAIJB-CABCVRRESA-N 367.445 3.950 0 40 FHAB Cc1ccc(NC(=O)c2ccccc2SCC(=O)NC2CC2)c(C)c1 13011822 ILVXJFOTBVPUOT-UHFFFAOYSA-N 354.475 3.926 0 40 FHAB Cc1ccc(NS(C)(=O)=O)c(C(=O)N(C)c2ccc3ccccc3c2)c1 63722080 YXABNWFXELMMQN-UHFFFAOYSA-N 368.458 3.796 0 40 FHAB Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3cccc(OC(F)F)c3)cc2)n1 64343097 MJUMQYSRHHMWND-UHFFFAOYSA-N 371.343 3.599 0 40 FHAB Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](C)c3ccccc3)c(=O)oc2c1 8491025 JMHDSFFJUOIPOD-AWEZNQCLSA-N 351.402 3.535 0 40 FHAB biogenic O=C(CNc1ccc(Br)c(C(F)(F)F)c1)NC1CCCC1 8404159 RUHUBRRMJFZCTI-UHFFFAOYSA-N 365.193 3.939 0 40 FHAB CCOc1cc2c(cc1NS(=O)(=O)/C=C/c1ccccc1)O[C@H](C)C2 17520589 XKBNCYQKGGAFQM-ATWMFIQVSA-N 359.447 3.821 0 40 FHAB Cc1ccc(-c2nn3c([C@H]4COc5ccccc5O4)nnc3s2)cc1C 4384007 XSNYUZWBORKKFQ-MRXNPFEDSA-N 364.430 3.982 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)c3cc(F)c(F)cc3Cl)ccc21 21896963 UEWBYRSYENPOMM-UHFFFAOYSA-N 350.752 3.780 0 40 FHAB CCC(=O)Oc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1 4340032 IRPWYXBPCATLQA-UHFFFAOYSA-N 362.337 3.882 0 40 FHAB biogenic Cc1cc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc(C(C)C)n1 14140723 GRCONSOWIPUMQN-UHFFFAOYSA-N 365.403 3.649 0 40 FHAB CCOc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)c(OC)c2)cc1 4554778 XSBHBPMIVVCMBO-UHFFFAOYSA-N 356.422 3.941 0 40 FHAB CCC(=O)c1ccc(OCC(=O)N(C)Cc2nc3ccccc3s2)cc1 5406340 ISQCWRQQEOBTAE-UHFFFAOYSA-N 368.458 3.926 0 40 FHAB Cc1cc(C)c(S(=O)(=O)NCc2ccc(CN3CCCC3)cc2)c(C)c1 14233557 KXTPGTQZHUMOHD-UHFFFAOYSA-N 372.534 3.686 0 40 FHAB O=S(=O)(c1ccccc1)N(CCOc1ccccc1)Cc1ccco1 6561493 OHINYSZNKNCMKH-UHFFFAOYSA-N 357.431 3.550 0 40 FHAB COc1ccccc1CNC(=O)CSc1nc(-c2ccc(F)cc2)c[nH]1 8744723 QFUMITHLQYJPHO-UHFFFAOYSA-N 371.437 3.633 0 40 FHAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccccc1 21595657 PERRNBBGDUECND-UHFFFAOYSA-N 350.374 3.858 0 40 FHAB CCOC(=O)[C@@H](CC)OC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 7003035 FXFPWTHUVCXABD-OAHLLOKOSA-N 372.446 3.894 0 40 FHAB CCNC(=O)NC(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1 7161481 MTIQPDBVYRJORD-OAHLLOKOSA-N 350.390 3.644 0 40 FHAB CC(=O)N[C@H](CC(=O)N1CCCCC[C@H]1c1cccn1C)c1cccs1 67510115 GRJKKEGHUYOUAE-AEFFLSMTSA-N 373.522 3.798 0 40 FHAB Cc1nn(-c2ccccc2)c(Cl)c1CN1C(=O)NC2(CCCCC2)C1=O 8735135 NUKMKLIIXWVDFB-UHFFFAOYSA-N 372.856 3.589 0 40 FHAB c1ccc(-c2cnn3cc(CN4CCC[C@H](Cn5ccnc5)C4)cnc23)cc1 67840611 WHKWQIAAFOXGFW-SFHVURJKSA-N 372.476 3.505 0 40 FHAB Cc1ccnn1-c1ccc(C(=O)OCc2nc(-c3cccs3)no2)cc1 7456297 FQOBROHZYUNERI-UHFFFAOYSA-N 366.402 3.649 0 40 FHAB CC(C)(C)c1ccc(C(=O)N2CCCC[C@H]2CCN2CCOCC2)cc1 15831556 UVDCRANUWOKOLX-FQEVSTJZSA-N 358.526 3.701 0 40 FHAB O=C(Nc1ccccc1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 8710444 KMCVDQDHZRUZOX-UHFFFAOYSA-N 371.309 3.736 0 40 FHAB Cc1ccc(C(=O)O[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)c1 7548715 FYYGRBALVLBADY-NOCBQHASSA-N 355.478 3.934 0 40 FHAB COc1ccc2oc(C(=O)NC[C@H](Cc3ccccc3)N(C)C)c(C)c2c1 7683561 QGQWGDGJBLYRFD-KRWDZBQOSA-N 366.461 3.653 0 40 FHAB O=C1N[C@@H](c2cc(Br)ccc2OC(F)F)Nc2ccccc21 9221290 UCTPOVKHYOWAAB-ZDUSSCGKSA-N 369.165 3.905 0 40 FHAB C/C(=C\C(=O)N(C)CC(=O)Nc1cc(C)on1)C12CC3CC(CC(C3)C1)C2 96180036 LUJHHQFKAHBJNT-YIXHJXPBSA-N 371.481 3.543 0 40 FHAB O=S(=O)(Cc1ccc(Cl)cc1)N1CCc2cc3ccccc3nc21 19796822 GFZGCCJCKVKXDN-UHFFFAOYSA-N 358.850 3.781 0 40 FHAB O=C(COC(=O)c1ccsc1)c1ccc(NC(=O)c2ccco2)cc1 9387570 ZIUFIUYJQJFOFT-UHFFFAOYSA-N 355.371 3.633 0 40 FHAB CC(C)CN(CC(C)C)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O 9722070 JGOYUZJJUVMNRP-QFIPXVFZSA-N 371.525 3.514 0 40 FHAB Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F 84064804 GNWFBYVXCRVMLY-WDEREUQCSA-N 370.400 3.759 0 40 FHAB Cc1ccc([C@H](C)N(C)C(=O)NCc2ccccc2N2CCOCC2)s1 84205231 IEPXNXGRRPRQNN-INIZCTEOSA-N 373.522 3.796 0 40 FHAB O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1[nH]nc(C2CC2)c1Cl 79075235 GQHXSXYRSAKGPS-UHFFFAOYSA-N 372.856 3.819 0 40 FHAB Cc1cc(NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)C(C)C)ccc1O 95430594 OJOWKBFFBHKNQX-KRWDZBQOSA-N 360.841 3.747 0 40 FHAB CN(C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccc(C(N)=O)cc1 79243386 XGUILFHXPAYUFG-LSDHHAIUSA-N 362.351 3.571 0 40 FHAB COc1cc(C(=O)Nc2ccc3nc(C4CC4)[nH]c3c2)cc(OC)c1OC 79478923 QWFAYSZUBGLDJK-UHFFFAOYSA-N 367.405 3.718 0 40 FHAB FC(F)(F)c1cccc([C@@H](NCc2ccc(Cl)nc2)c2nc[nH]n2)c1 95945351 XIJMTUSQSVLFRG-CQSZACIVSA-N 367.762 3.751 0 40 FHAB COc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2ccccc2)cc1 408950115 ROYNGAKMLBMEDL-UHFFFAOYSA-N 364.401 3.565 0 40 FHAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cc2c(s1)CCCCCC2 68969628 ODINCQMROWNRSL-UHFFFAOYSA-N 353.451 3.635 0 40 FHAB Cc1sc2nc(Cc3ccncn3)nc(O)c2c1-c1ccc(F)cc1 545338472 KETBBIHYPHYHOV-UHFFFAOYSA-N 352.394 3.892 0 40 FHAB N#Cc1ccc(S(=O)(=O)Nc2cccc3cc[nH]c23)cc1C(F)(F)F 547499552 XZZHYZDBZMKFDM-UHFFFAOYSA-N 365.336 3.859 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)Oc3cccc4cccnc34)CC2=O)c(C)c1 408673638 XHAXNBNWABAOOB-QGZVFWFLSA-N 360.413 3.810 0 40 FHAB CC(=O)CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2s1 33731139 RYFHOJKBHWLFQB-BETUJISGSA-N 374.487 3.657 0 40 FHAB CO[C@H](CNC(=O)C(C)(C)c1csc(-c2ccccc2F)n1)C1CC1 511399400 IZWOICUGADPCHH-OAHLLOKOSA-N 362.470 3.768 0 40 FHAB CN1c2ccc(C(=O)NC3CCCCC3)cc2-c2ccccc2S1(=O)=O 33088631 DDKPDAZCIYGWBO-UHFFFAOYSA-N 370.474 3.555 0 40 FHAB COc1cc(-c2oc3c(c2CC(=O)O)c(=O)oc2ccccc23)ccc1O 524730093 VTTGKRQVEIEABG-UHFFFAOYSA-N 366.325 3.548 0 40 FHAB biogenic C[C@H](c1ccccc1)S(=O)(=O)N(C)Cc1cccnc1C(F)(F)F 530168444 CCSCYKZMBXWBMK-GFCCVEGCSA-N 358.385 3.623 0 40 FHAB O=C(Cc1ccccc1Cl)NC[C@H](O)c1ccc(C(F)(F)F)cc1 70639936 BAFFLAFMGOWITH-HNNXBMFYSA-N 357.759 3.751 0 40 FHAB Cc1nnc(C(C)C)n1C1C[C@@H]2CC[C@H](C1)N2CC[C@H](N)c1ccccc1 34055701 QOFZYOSOELDKMC-JKWVGCSGSA-N 367.541 3.968 0 40 FHAB in-vitro COc1ccc(-c2nnc3sc(-c4cc(C(C)(C)C)[nH]n4)nn23)cc1 31809282 JCSPONZBQVCTCV-UHFFFAOYSA-N 354.439 3.549 0 40 FHAB Cc1cccc(Nc2cncc([C@@H]3CCCN(C(=O)c4ccccc4)C3)n2)n1 72354326 RFBHFSCMAOMVEI-GOSISDBHSA-N 373.460 3.943 0 40 FHAB CCc1ccc([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)cc1 224005172 UWLDRKLTJDVNNA-GFCCVEGCSA-N 353.871 3.951 0 40 FHAB CCn1nc(C)c2nc(C(C)C)nc(NCCCn3nc(C)cc3C)c21 226688383 JYZMHQRQGQJCHV-UHFFFAOYSA-N 355.490 3.594 0 40 FHAB CCCC[C@H](CC)C(=O)N1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21 40386272 FYFWJYOQJDVQPI-YJBOKZPZSA-N 356.466 3.771 0 40 FHAB COc1ccc(NC(=O)CCc2ncc(-c3cccc(OC)c3)o2)cc1 224846870 IRMOUHPLNAKJPC-UHFFFAOYSA-N 352.390 3.930 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 40478342 AAUIQTBFMQHVIM-UHFFFAOYSA-N 353.353 3.645 0 40 FHAB Cc1nc(C)c(C(=O)OC2CN(c3nc4c(C)cccc4s3)C2)s1 75172342 VCYKRUWBLVXUKD-UHFFFAOYSA-N 359.476 3.724 0 40 FHAB CC[C@@H](C(=O)Nc1c(C)cccc1C)N(c1cccc(C)c1)S(C)(=O)=O 220493835 VUOSWDVGXNDYEM-SFHVURJKSA-N 374.506 3.795 0 40 FHAB NC(=O)c1ccc2[nH]c(-c3cc(Br)ccc3Cl)nc2c1 226236312 DTTAYPWDTMVJRX-UHFFFAOYSA-N 350.603 3.745 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1 224739902 HFSFCGCQFBMEAW-KRWDZBQOSA-N 370.468 3.620 0 40 FHAB CCCOCc1cc(C(=O)Nc2cc(OC)ccc2OC)ccc1OC 224415484 XKAXIASJGSTPHO-UHFFFAOYSA-N 359.422 3.891 0 40 FHAB CCOc1ccccc1NC(=O)N(C)Cc1cc(=O)[nH]c2ccccc12 41077082 VLCITZMMJSBGIQ-UHFFFAOYSA-N 351.406 3.591 0 40 FHAB CC(=O)c1ccc(CCNC(=O)c2cccc(Br)c2)s1 225671633 ODCJGFVBGZACGD-UHFFFAOYSA-N 352.253 3.686 0 40 FHAB O=C(CSCc1ccccc1)NCc1nc(-c2ccc(Cl)cc2)no1 95481646 BVJOPSYTXFAFTN-UHFFFAOYSA-N 373.865 3.940 0 40 FHAB COc1cc2c3c(c1)C(CN1[C@@H](C)CCC[C@@H]1C)=CC(C)(C)N3C(=O)C2=O 334160998 QNFSDGPQNCDUBR-KBPBESRZSA-N 368.477 3.663 0 40 FHAB NC[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252514278 BRRGQCIVCSWALV-OAGGEKHMSA-N 356.274 3.508 0 40 FHAB COc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)oc2ccccc12 252489146 JHSBFVZJZFGFLN-UHFFFAOYSA-N 354.381 3.543 0 40 FHAB O=C(CCc1ccc(Cl)s1)N1CCN(c2c(F)cccc2F)CC1 1130325516 XRGQCBFEIWNQHF-UHFFFAOYSA-N 370.852 3.961 0 40 FHAB COc1cc(OC)cc([C@H](C(=O)O)N2CCc3ccc(F)cc3[C@@H](C)C2)c1 652511239 RSGRUIWAAMAEBA-RNODOKPDSA-N 373.424 3.630 0 40 FHAB Cc1ccc(-c2ccc3c(c2)C(c2ccccc2)=NCC(=O)N3)c(CO)c1 1244491155 UPYOCJXSBFQNHP-UHFFFAOYSA-N 356.425 3.944 0 40 FHAB Cc1[nH]c2ccc(C(=O)N3CCN([C@@H](C)c4cccnc4)CC3)cc2c1C 604034494 JUSTUSDWWNDBNC-KRWDZBQOSA-N 362.477 3.699 0 40 FHAB CCCOc1c(Cl)cc(C(=O)N2CC[C@@H](N(CC)CC)C2)cc1OC 72303397 HKHTWQAIOVUTNN-OAHLLOKOSA-N 368.905 3.694 0 40 FHAB Cc1cc(C)n(CCC(=O)Nc2cccc3c2CN(CCC(C)C)C3)n1 76171182 QNZHIEWPTXEKIC-UHFFFAOYSA-N 354.498 3.890 0 40 FHAB Cc1ccc2[nH]c3nc(SCC(=O)NC4CCCCCC4)nnc3c2c1 5751045 QGLIVDPPHRYJPG-UHFFFAOYSA-N 369.494 3.746 0 40 FHAB COc1cc(/C=C2\N=C(c3cc(C)cc(C)c3)OC2=O)cc(OC)c1OC 12791208 FVCZLOLSPFXTRT-SXGWCWSVSA-N 367.401 3.674 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=O)CCCOc2ccc(OC)cc2)c1 13670903 ZZWNLHDGJFXUID-UHFFFAOYSA-N 371.433 3.978 0 40 FHAB CCCCCCc1c(C)nc(N2CCN(c3ccccc3)CC2)[nH]c1=O 14608480 GAXKNGSWOBTJMC-UHFFFAOYSA-N 354.498 3.528 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 17605353 DIUFTIGVRLKPCX-CYBMUJFWSA-N 358.825 3.873 0 40 FHAB Cc1csc([C@H](Cc2ccsc2)NC(=O)c2cc(C3CC3)nn2C)n1 19240195 ZLDOMEJIBWOYND-HNNXBMFYSA-N 372.519 3.838 0 40 FHAB CC[C@@H](CN1CCCC1)n1cncc1-c1cc2c(cc1OC)OCCCO2 19719950 KLPIIHBKUZIIQI-INIZCTEOSA-N 371.481 3.767 0 40 FHAB CCc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3)C(=O)NC2=S)cc1 6225243 JWJTZKKIFCJDQK-XICJKMHVSA-N 362.454 3.637 0 40 FHAB O=C(NCC1CCN([C@@H]2CCSC2)CC1)c1ccccc1C(F)(F)F 225570280 FIENIABSPJIJJQ-CQSZACIVSA-N 372.456 3.653 0 40 FHAB COc1cccc([C@@H]2CCCN2Cc2cc3c(cc2C)n(C)c(=O)n3C)c1 19716016 LJCYJFABZQAUTG-IBGZPJMESA-N 365.477 3.531 0 40 FHAB COc1c2cc(c(O)c1OC)-c1cc(ccc1O)CC[C@@H](O)CCCC2 31166843 UTKZLHKWTSXNQI-HNNXBMFYSA-N 358.434 3.802 0 40 FHAB biogenic,in-vitro O=C(Cc1ccc2c(c1)CCO2)Nc1ccnn1Cc1ccc(Cl)cc1 12048732 TVXFAQIEGUKIMJ-UHFFFAOYSA-N 367.836 3.701 0 40 FHAB Cc1ccc(C)c(Sc2ccc(NC(=O)CN3CCN(C)CC3)cc2)c1 22795105 HCXRJQIHUMHHLC-UHFFFAOYSA-N 369.534 3.641 0 40 FHAB CCc1ccc([C@@H](NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)C(C)C)cc1 36784029 QLCOTQRHHHNURF-PMACEKPBSA-N 351.446 3.844 0 40 FHAB CSC1=NC2(CCN(C(=O)OC(C)(C)C)CC2)N=C1c1ccccc1 6817203 XMBKYQYGNAVLAA-UHFFFAOYSA-N 359.495 3.978 0 40 FHAB CCCCN1C(=O)CCc2cc(NC(=O)COc3ccccc3)ccc21 15729992 IETVKQDSVAQSTJ-UHFFFAOYSA-N 352.434 3.783 0 40 FHAB O=C(CSc1ccc(-c2ccccn2)nn1)NCc1ccccc1Cl 17177701 PCOYCMMNSWPJHW-UHFFFAOYSA-N 370.865 3.601 0 40 FHAB O=C(NCc1ccccc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 101251958 LZMNZSAXPCNNHF-UHFFFAOYSA-N 370.408 3.626 0 40 FHAB COc1ccc(CCNC(=O)Cc2csc(Nc3ccccc3)n2)cc1 16850019 FLEZJTBCLLIGJO-UHFFFAOYSA-N 367.474 3.797 0 40 FHAB O=C(Cc1csc(-c2ccco2)n1)Nc1ccnn1Cc1ccccc1 25530372 JGEPLYBNTRVOOT-UHFFFAOYSA-N 364.430 3.829 0 40 FHAB Nc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](O)c1cccc(Oc2ccccc2)c1 102411293 CUKFYJCXUDZUOM-FQEVSTJZSA-N 373.412 3.622 0 40 FHAB C=CC(=O)Nc1cc(OCC)c(NC(=O)c2cccs2)cc1OCC 881406 DNWUKJFIGVJMNM-UHFFFAOYSA-N 360.435 3.922 0 40 FHAB Cc1ccc(C(=O)N(CC(=O)NC2CCCC2)c2ccc(F)cc2)s1 1330224 AKDMVDYDNUVSQY-UHFFFAOYSA-N 360.454 3.901 0 40 FHAB CCOC1=C[C@H](C)N(S(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc21 1713701 CIVWJLULVNMXQL-HNNXBMFYSA-N 373.474 3.978 0 40 FHAB Cc1ccc(C)c(C(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)c1 6032522 AEFWALIXIMECIH-UHFFFAOYSA-N 368.429 3.822 0 40 FHAB Cc1c(C)n(Cc2cccnc2)c2ncn3nc(-c4ccccc4)nc3c12 6672880 ULBQMYSSFRCWMB-UHFFFAOYSA-N 354.417 3.806 0 40 FHAB O=C(Nc1cccc(F)c1)N1CCN(c2nc3ccccc3s2)CC1 6809386 GHNAINZTKZEGPI-UHFFFAOYSA-N 356.426 3.790 0 40 FHAB CN(C)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1 6948592 BQIYDYBRWSRIJF-WOJGMQOQSA-N 363.442 3.861 0 40 FHAB Cc1ccc(-n2c(C)nnc2SCC(=O)N2CCCCCC2)cc1C 6966749 WKHCYLXIPMBBBV-UHFFFAOYSA-N 358.511 3.687 0 40 FHAB COc1ccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 7071612 CSBHQQKBRIKQPR-UHFFFAOYSA-N 356.422 3.972 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)OC[C@@H]1CC1(Cl)Cl 7293672 SYLGANYNLGGBHK-AWEZNQCLSA-N 353.249 3.899 0 40 FHAB COc1cc(NS(=O)(=O)c2cc(C)ccc2C)c(OC)cc1Cl 7387453 BNQVCHBIOONNSL-UHFFFAOYSA-N 355.843 3.775 0 40 FHAB CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 7639398 WPTSEHNKPGWZRK-INIZCTEOSA-N 352.434 3.694 0 40 FHAB O=C(NC1CCCC1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 8033325 SLKKQLYRUUTXKW-CCEZHUSRSA-N 370.474 3.772 0 40 FHAB Cc1c(C(=O)NC2CCN(C(=O)CC(C)C)CC2)oc2ccc(F)cc12 68989996 KVHZGQQDWMDMDL-UHFFFAOYSA-N 360.429 3.647 0 40 FHAB CCC(=O)N1c2ccccc2[C@@H](N(c2ccccc2)S(C)(=O)=O)C[C@H]1C 10153297 RDPIDGCTNHUHQP-BEFAXECRSA-N 372.490 3.729 0 40 FHAB Cc1ccc(O)c(C(=O)NCc2cccnc2Oc2cccc(F)c2)c1 32675808 DVPFBNLKHRTKCY-UHFFFAOYSA-N 352.365 3.957 0 40 FHAB COc1cc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)ccc1F 8040987 DIOONCPJENPSTG-UHFFFAOYSA-N 350.198 3.942 0 40 FHAB C[C@H](NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101616256 BBSVCYAZNREFTL-UNJBNNCHSA-N 355.404 3.720 0 40 FHAB C[C@H]1Cc2cc(CN3C[C@@H]4CCC[C@@H](C3)C4(O)c3ccccn3)ccc2O1 100149102 GTPPEZDUZPHZMZ-VDGAXYAQSA-N 364.489 3.525 0 40 FHAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1c(Cl)nc2ccccn12 32932137 RXPILLGDQGPSTI-UHFFFAOYSA-N 367.758 3.979 0 40 FHAB CN(Cc1ccc(Cl)cc1)C(=O)C[C@H]1Sc2ccccc2NC1=O 24664991 UYJHOHBPYYORRA-MRXNPFEDSA-N 360.866 3.802 0 40 FHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cccc2ncccc12 22136649 GLUYZXPFJKGFJE-UHFFFAOYSA-N 356.429 3.752 0 40 FHAB CCCCN1C(=O)/C(=C/c2ccc(OC(F)F)c(OCC)c2)NC1=S 2792248 XVNMBDYDHBGZPG-XFXZXTDPSA-N 370.421 3.544 0 40 FHAB CCOC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CC[C@H](CC)C2 668565 IBVFDWJWVJKGMN-AAEUAGOBSA-N 351.468 3.557 0 40 FHAB Cc1c(Br)cc2c(c1C)OC[C@@H](N1CCC(C)CC1)C2=O 55125466 RXSULNMRPZMYRP-OAHLLOKOSA-N 352.272 3.742 0 40 FHAB CCn1ncc(Br)c1C(=O)Nc1cc(C)nc2ccccc12 28223907 NGJRTMIQEXJJJM-UHFFFAOYSA-N 359.227 3.774 0 40 FHAB C[C@@H](C(=O)Nc1ccccc1)N1CCN(Cc2ccc(Cl)s2)CC1 22772316 YCOADSIVEZLZPX-AWEZNQCLSA-N 363.914 3.546 0 40 FHAB Cn1c(NC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)nc2cc(Cl)ccc21 104029198 ACOPSKKQVKPZLP-CJKMCJCZSA-N 373.884 3.887 0 40 FHAB COc1cccc(NC(=O)[C@H](C)OC(=O)c2sccc2-n2cccc2)c1 22888030 JSCOLNALXQGONN-ZDUSSCGKSA-N 370.430 3.731 0 40 FHAB O=C(N[C@@H](c1ccccc1)C1CCC1)N1CCN(c2cccc(O)c2)CC1 105249356 ZBGATVBNPLHWND-NRFANRHFSA-N 365.477 3.765 0 40 FHAB CC(C)c1cc(C(=O)NCc2cccnc2-n2cccn2)c2ccccc2n1 24589996 UZCMXKQOFZVCJS-UHFFFAOYSA-N 371.444 3.869 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCC(=O)N1Cc1cccs1 1389868 JHQYBFJMNBOUEO-CQSZACIVSA-N 368.380 3.897 0 40 FHAB CCOc1ccc(CNC(=O)[C@H](C)Oc2ccccc2C)cc1OCC 20462268 CVTWNEPIGMILQT-INIZCTEOSA-N 357.450 3.876 0 40 FHAB O=C(CCCOc1ccc(Cl)cc1)NCc1nc(-c2ccccc2)no1 51261051 MTFZOZBJQJPHOM-UHFFFAOYSA-N 371.824 3.865 0 40 FHAB Cc1ccc(-c2ccc(=O)n(CC(=O)NCCC3=CCCCC3)n2)cc1C 57486129 BOMUNNPIHHQYIG-UHFFFAOYSA-N 365.477 3.534 0 40 FHAB COc1ccc2cc(C(=O)NCCc3ccccc3OC)c(C)nc2c1 27103680 MFKSXCGMOXEMMA-UHFFFAOYSA-N 350.418 3.533 0 40 FHAB CC(=O)c1ccc(N2CCN(C(=O)/C=C/c3sccc3C)CC2)c(F)c1 12517145 JCUJHUDIFBCNNK-AATRIKPKSA-N 372.465 3.760 0 40 FHAB COCCn1c(S[C@@H](C)c2ccc(F)cc2)nnc1-c1ccncc1 58014334 KJSFFCIYOAZQSL-ZDUSSCGKSA-N 358.442 3.979 0 40 FHAB CC1(C)CC[C@@H](NC(=O)[C@@H]2CCCN(c3cnccn3)C2)c2ccccc21 58421799 IRUSHNQGEUFGBS-VQIMIIECSA-N 364.493 3.622 0 40 FHAB COc1ccc(CC(=O)Nc2ccc3[nH]c(-c4ccncc4)nc3c2)cc1 71283581 ZKCOEZZNMYSBDF-UHFFFAOYSA-N 358.401 3.815 0 40 FHAB Cc1ccc2c(=O)cc(C(=O)Nc3ccnn3Cc3cccs3)oc2c1 28404844 LRHHCXWLCVENKZ-UHFFFAOYSA-N 365.414 3.660 0 40 FHAB COc1cccc(O[C@@H](C)C(=O)Nc2cc(C)nn2Cc2ccccc2)c1 28244194 SWLJLKGPOXVRDG-INIZCTEOSA-N 365.433 3.654 0 40 FHAB O=C(NCc1cc2ccccc2[nH]1)C1CCN(c2ccc(Cl)cn2)CC1 58899790 ANMVCXPLMHDFIE-UHFFFAOYSA-N 368.868 3.749 0 40 FHAB CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@H](C)C(=O)N(C)c1ccccc1 3365677 GWEXUSMGSPGPEX-GFCCVEGCSA-N 374.462 3.532 0 40 FHAB CC[C@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 12761444 LVZAFXISRUCSOP-LBPRGKRZSA-N 366.870 3.669 0 40 FHAB CCCc1noc(CSc2nnc(NCCc3ccccc3)s2)n1 12738893 JWZQPAZBHMUHSS-UHFFFAOYSA-N 361.496 3.821 0 40 FHAB COC(=O)C[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1 12876630 XLAVTUKAZGEACL-INIZCTEOSA-N 366.244 3.957 0 40 FHAB CCCCn1nc(C(=O)Nc2ccc3c(c2)CCC3)c2ccccc2c1=O 3453839 FQNRNFXWIGPNLG-UHFFFAOYSA-N 361.445 3.938 0 40 FHAB O=C(NCc1ccccc1Cl)Nc1cccc(CN2CCOC2=O)c1 62581960 RDLLAJALCAZQCC-UHFFFAOYSA-N 359.813 3.614 0 40 FHAB CC[C@@H](Oc1ccccc1)C(=O)N(C)CC(=O)Nc1cc(C)ccc1C 8358209 ARBNMBQSRZNRNV-LJQANCHMSA-N 354.450 3.558 0 40 FHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)c1 8329023 YKEZFHCRKQCMBP-GFCCVEGCSA-N 371.412 3.576 0 40 FHAB Cc1ccc(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 8310306 AQCSTGJLLGTMPB-LJQANCHMSA-N 366.461 3.932 0 40 FHAB CC[C@@H](C)NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC(C)(C)CC3 4089852 SKZACRWNFIJPPI-GFCCVEGCSA-N 357.450 3.662 0 40 FHAB biogenic CCCSc1nnc2n(-c3ccc(OC)cc3)c(=O)c3ccccc3n12 4269291 BSRMBVYLQPBVHS-UHFFFAOYSA-N 366.446 3.544 0 40 FHAB COc1ccc(-c2cnc3cc(-c4ccc(C)cc4)nn3c2N)cc1OC 21728673 KLBGVAZWRGOHSX-UHFFFAOYSA-N 360.417 3.971 0 40 FHAB CC(C)N(C(=O)CSc1nnc(-c2cccnc2)o1)c1ccccc1 5213956 TWXUBQDLVCIQFW-UHFFFAOYSA-N 354.435 3.665 0 40 FHAB Cc1ccc(-c2nc(CC(=O)Nc3ccc(C(N)=O)cc3)cs2)c(C)c1 14128904 LOLVTYWVASWJGU-UHFFFAOYSA-N 365.458 3.707 0 40 FHAB O=C([C@@H](Oc1cc(Cl)ccc1Cl)c1ccccc1)N1CCOCC1 5471429 KGFJZBJFWABOFC-KRWDZBQOSA-N 366.244 3.972 0 40 FHAB O=C1C[C@@](/C=C/c2ccccc2)(C(=O)NC2CCCC2)N1c1ccccc1 5451759 AZWLXQLNATZNFJ-TVXVBNPNSA-N 360.457 3.934 0 40 FHAB COc1cc(C(=O)Oc2cccc(Br)c2)cc(OC)c1OC 6580538 HTXKYIVDOXUZLX-UHFFFAOYSA-N 367.195 3.694 0 40 FHAB Nc1c(C(=O)NCc2ccccc2)sc2nc3c(cc12)N1CCC3CC1 8763215 NTQRRNPDUKIQQL-UHFFFAOYSA-N 364.474 3.506 0 40 FHAB COc1cccc(-c2cnc(NCc3cccc(OC)c3OC)n2C)c1 4678543 NZWWVTBZARXXMH-UHFFFAOYSA-N 353.422 3.725 0 40 FHAB COc1ccc(Cl)cc1NC(=O)C[C@@H]1c2ccccc2CCN1C(C)=O 8767769 CDZZAAACCFUAQX-GOSISDBHSA-N 372.852 3.823 0 40 FHAB CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc3cccnc23)c1 14517176 QKLWQLVPXRCZAO-UHFFFAOYSA-N 360.822 3.544 0 40 FHAB C[C@H](Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)NC1CCCC1 5779698 FETUXWKTQBWWLR-AWEZNQCLSA-N 355.409 3.883 0 40 FHAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3cccnc3)o2)c(C)c1 4889693 BOLMJTSPMBOTAC-UHFFFAOYSA-N 354.435 3.788 0 40 FHAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1COc2ccccc2O1 6890512 DQNWEOSYYQBLDS-AWEZNQCLSA-N 355.724 3.720 0 40 FHAB Cc1cc(N)nc(S[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)n1 7048346 BVKBEXWGXOTNGB-LLVKDONJSA-N 371.491 3.610 0 40 FHAB CCCCNc1nc(-c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cs1 7274069 OPGILDZJWWUZHU-GFCCVEGCSA-N 365.524 3.733 0 40 FHAB C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)C1CC1 70915453 SBWCIRABWAINIK-OAQYLSRUSA-N 351.402 3.778 0 40 FHAB COc1ccc([C@H]2CCCN2CC(=O)N[C@@H](C)c2ccccc2)c(OC)c1 7719613 OOTFVZXBRQSGDV-OXJNMPFZSA-N 368.477 3.718 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)c1ccccc1Br)c1ccccc1 9157073 XGYWIYRRUUJSGI-INIZCTEOSA-N 370.250 3.702 0 40 FHAB Cc1ccc2c(=O)cc(C(=O)/N=c3/[nH]c4ccc(C)cc4s3)oc2c1 9111415 JZJCZYLDKMDBBI-UHFFFAOYSA-N 350.399 3.694 0 40 FHAB CC[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1cc(C)on1 9314701 MLKHWYWHTBZYHY-LBPRGKRZSA-N 356.300 3.576 0 40 FHAB COc1ccc(C2(C(=O)NCc3ccc(Cl)cc3)CCOCC2)cc1 9547614 YHTHFKKBZRYQFO-UHFFFAOYSA-N 359.853 3.713 0 40 FHAB CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Sc2ccccn2)cc1 89977207 IDJRLXBQPDAADN-MSOLQXFVSA-N 367.518 3.932 0 40 FHAB O=S(=O)(/C=C/c1ccccc1Cl)Nc1noc(-c2cccs2)n1 95466362 JRDIAIFJFHRXIX-VQHVLOKHSA-N 367.839 3.864 0 40 FHAB O=C(NCCSC1=Nc2ccccc2CS1)OCC(F)(F)F 78448902 IGWNCQAHTAGDHE-UHFFFAOYSA-N 350.387 3.943 0 40 FHAB COc1ccc(C(=O)C2CCN(C(=O)/C=C/c3cccc(F)c3)CC2)cc1 9983343 SZXMPNWCPNDCLE-BJMVGYQFSA-N 367.420 3.969 0 40 FHAB O=C(CCc1nc(-c2ccc3cc[nH]c3c2)no1)NC1CCCCCC1 79481701 JBBBSHHCHFEFKG-UHFFFAOYSA-N 352.438 3.990 0 40 FHAB CCc1ccc(NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 409380277 AXXVQURPQGMBFF-INIZCTEOSA-N 374.506 3.659 0 40 FHAB CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc1OC 409048301 WBZFHBMBUZJZOQ-VBKFSLOCSA-N 368.458 3.698 0 40 FHAB Fc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c2ncn2nnnc32)cc1 3852027 MFYKMAGIKDPAOB-UHFFFAOYSA-N 364.771 3.923 0 40 FHAB biogenic Cc1cccc(Nn2c(N)nn(CC(=O)c3ccc(Cl)cc3)c2=S)c1 36625692 YOMWHOPVWLOZPB-UHFFFAOYSA-N 373.869 3.716 0 40 FHAB C[C@H](CCc1n[nH]c2ccccc12)NCc1ccc(C[S@@](C)=O)cc1 556897428 LIIXHSINCVJLPH-SGANQWHYSA-N 355.507 3.552 0 40 FHAB COc1cccc(-c2noc([C@H]3CCN(CCOc4ccccc4)C3)n2)c1 72369890 VXAOGPVVMXTIIZ-KRWDZBQOSA-N 365.433 3.614 0 40 FHAB CCOC(=O)C1CCN(C(=O)c2ccccc2OCc2ccccc2)CC1 13624502 WJOAPGDAYCICEK-UHFFFAOYSA-N 367.445 3.681 0 40 FHAB Nc1c(Cl)cc(Cl)cc1-c1nn2c(C(F)(F)F)nnc2s1 73634286 ZFHLXWISPIEFHC-UHFFFAOYSA-N 354.144 3.761 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)NCc1cccc(CN2CCCC2)c1 224626939 YVRIBTFTGGBLFA-HXUWFJFHSA-N 370.468 3.895 0 40 FHAB Cc1cc(C)cc(N(CCCC(=O)N(C)c2ccccc2)S(C)(=O)=O)c1 225773247 ISIUQQBPJVQAPJ-UHFFFAOYSA-N 374.506 3.513 0 40 FHAB CCc1ccc(O[C@H](CC)C(=O)NCc2nc(-c3cccs3)no2)cc1 222901901 OMFUTCLJHAIUGD-OAHLLOKOSA-N 371.462 3.834 0 40 FHAB COc1ccc(Oc2ncccc2NS(=O)(=O)c2ccccc2)cc1 41615902 FCGQRCFWEKKWBX-UHFFFAOYSA-N 356.403 3.683 0 40 FHAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)NC(C)C)cc1C 224176387 KDKRHTRJFJLNCF-UHFFFAOYSA-N 354.450 3.713 0 40 FHAB S=C(NCCCSCc1ccco1)Nc1ccc2c(c1)OCCO2 225593922 ZDCMPMVKGMNDPV-UHFFFAOYSA-N 364.492 3.661 0 40 FHAB O=C(c1cscn1)N1CCC2(CCN(Cc3ccc(F)cc3)CC2)CC1 96047288 QIITXJKDEKIAAB-UHFFFAOYSA-N 373.497 3.801 0 40 FHAB Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1 244141476 UPOQSAHMQPQBHQ-MRXNPFEDSA-N 356.853 3.626 0 40 FHAB COCCN1CCC(c2cccc(N3CC4(CCCCC4)OC3=O)n2)CC1 257239637 HQFBEHCZTNRIGV-UHFFFAOYSA-N 373.497 3.567 0 40 FHAB Cn1ccnc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257200975 AFPRPECLJLYAOM-QGZVFWFLSA-N 368.412 3.505 0 40 FHAB O=C(N[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1)[C@H]1CCCc2n[nH]cc21 648969257 SPEDJHOZNUDPPL-OLZOCXBDSA-N 368.868 3.638 0 40 FHAB Cc1ccc(CC2CN(C(=O)N[C@H](C)c3ccc4c(c3)OCO4)C2)cc1 663544742 QKWUGXGOFZELKX-OAHLLOKOSA-N 352.434 3.669 0 40 FHAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(Cc2ccccc2C)C3)n1 585105221 QQSIXZZCIITWHO-NRFANRHFSA-N 352.478 3.649 0 40 FHAB CCOC(=O)[C@@H]1CC=C(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 220577916 DKCNGEQTYFAMNQ-QGZVFWFLSA-N 356.271 3.732 0 40 FHAB COc1ccccc1CN(Cc1ccc(NC(C)=O)cc1)C[C@@H]1CCCO1 12187560 NRGWFUMYWKMQCA-NRFANRHFSA-N 368.477 3.835 0 40 FHAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2ccccc2Br)C1 13671168 OCFAFQONPGNIGR-OKILXGFUSA-N 353.304 3.547 0 40 FHAB S=C(Nc1cccc(Br)c1)Nc1ccc2c(c1)OCO2 13786924 VMRFAJVQDAIOKF-UHFFFAOYSA-N 351.225 3.987 0 40 FHAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1cc2c(s1)CCCC2 16514201 YTUKPLOADZZZRF-UHFFFAOYSA-N 354.475 3.684 0 40 FHAB Cc1cccc(N2C(=O)/C(=C/Nc3cccc(O)c3)c3ccccc3C2=O)n1 18095701 WHBYUAZAYHKBDI-CPNJWEJPSA-N 371.396 3.736 0 40 FHAB CN(C)CCN(Cc1ccccn1)Cc1c[nH]nc1-c1ccc(Cl)cc1 19582619 BGLNFCSGHBTOOE-UHFFFAOYSA-N 369.900 3.689 0 40 FHAB COc1cc(/C=C2\N=C(c3ccc(C)c(C)c3)OC2=O)cc(OC)c1OC 1515328 SYBXJWVHOQGZKT-SXGWCWSVSA-N 367.401 3.674 0 40 FHAB O=S(=O)(Cc1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 1327415 NOKNEKCEQHEVKK-UHFFFAOYSA-N 356.447 3.537 0 40 FHAB Cc1cc(N(C)C2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)ncn1 1888869613 QMMUJQVGWKYOOD-UHFFFAOYSA-N 353.470 3.535 0 40 FHAB Cc1cc(Cl)cc2sc(N3CC[C@H](C(=O)NC(C)(C)C)C3)nc12 1889128192 HXWFABXETJUNAZ-NSHDSACASA-N 351.903 3.999 0 40 FHAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)Cc1cc(C)ccc1OC 19295767 SZJASMLLAAWQKJ-UHFFFAOYSA-N 357.450 3.612 0 40 FHAB Cc1cc(NC(=O)CSc2ccc(-c3ccc(Cl)cc3)nn2)no1 1332424 PVLBUGPHAWJXNN-UHFFFAOYSA-N 360.826 3.824 0 40 FHAB COc1ccc(OC)c2sc(NC(=O)CCOc3ccccc3)nc12 2713927 IFEYMYHSKONJRW-UHFFFAOYSA-N 358.419 3.721 0 40 FHAB Cc1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)sc2nc(-c3ccc(F)cc3)cn12 4003764 BYXVPIYVBOVFHA-VXGBXAGGSA-N 373.453 3.760 0 40 FHAB C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(Cl)s2)o1 4101540 VSISXXIZZNUZKP-VIFPVBQESA-N 357.888 3.945 0 40 FHAB Cc1ccccc1OCC(=O)NCCc1csc(-c2cccc(F)c2)n1 5137532 WZHOLPGTTBRPID-UHFFFAOYSA-N 370.449 3.995 0 40 FHAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1ccccc1F 5152738 QUCQRXXCAAHECK-IBGZPJMESA-N 350.393 3.953 0 40 FHAB CCCn1cc(-c2nc(-c3ccncc3)no2)c(=O)c2cc(F)ccc21 49001948 IQMVFALOBDYDJZ-UHFFFAOYSA-N 350.353 3.663 0 40 FHAB COc1ccccc1/N=c1\oc2ccc(Br)cc2cc1C(N)=O 13942244 SJSDPJRLBIWFJO-JZJYNLBNSA-N 373.206 3.535 0 40 FHAB CC(C)c1ccccc1NC(=O)Cc1csc(Nc2ncccn2)n1 49029411 IBJBPQBXFRYCCW-UHFFFAOYSA-N 353.451 3.981 0 40 FHAB Cc1cccc(C)c1NC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 863265 YVPJUIPOZJXPSA-UHFFFAOYSA-N 363.446 3.854 0 40 FHAB Cc1cccc(C)c1NC(=O)CSc1nnc(C)n1-c1ccccc1 897334 ITNGBVCPYRTBLL-UHFFFAOYSA-N 352.463 3.923 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)o2)c1 917162 YPOJXBKTLKIENA-UHFFFAOYSA-N 372.425 3.860 0 40 FHAB CC1=NN(c2ccc(C(=O)OCc3cc(F)cc4c3OCOC4)cc2)CC1 51218422 LSLPKUIYUKGISD-UHFFFAOYSA-N 370.380 3.635 0 40 FHAB O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)Nc1cccc2ccccc12 32094733 WDPFDBDPEMMWTF-SFHVURJKSA-N 359.385 3.569 0 40 FHAB CCCCc1ccc(NC(=O)COC(=O)Cn2cnc3ccccc32)cc1 3293210 IQCIOYPYLGNCAL-UHFFFAOYSA-N 365.433 3.561 0 40 FHAB CCCn1c(SCC(=O)NCC(C)C)nnc1-c1ccc(Cl)cc1 4547395 ZEONKLCLSBYXMJ-UHFFFAOYSA-N 366.918 3.873 0 40 FHAB Cc1cccc2c1NC(=O)[C@@]21CC(O)=Nc2c1cnn2-c1cccc(F)c1 20719487 UHLVBATWRVVVDF-FQEVSTJZSA-N 362.364 3.550 0 40 FHAB CCn1c(S[C@H](C(N)=O)c2ccc(F)cc2)nnc1-c1ccccc1C 11752339 JPKLPCKOUYCKLR-INIZCTEOSA-N 370.453 3.731 0 40 FHAB CC[C@H](C)NC(=O)CSc1nnc(-c2ccoc2C)n1CC(C)C 4860772 KDYWHQALHWSZQG-LBPRGKRZSA-N 350.488 3.509 0 40 FHAB O=C(NCCn1cnc2cccnc21)Nc1ccccc1-c1ccccc1 4933111 RVRKXZGCRPIIIK-UHFFFAOYSA-N 357.417 3.920 0 40 FHAB COCc1c(C(=O)OCc2cccc(OC)c2OC)oc2ccccc12 6236704 MXJCLVQIGBWQLY-UHFFFAOYSA-N 356.374 3.953 0 40 FHAB CC(C)(C)CC(C)(C)NC[C@H](O)COc1ccc(Br)cc1 6305968 WEYSCXKLSQCPLC-AWEZNQCLSA-N 358.320 3.993 0 40 FHAB CCCCOC(=O)CN1C(=O)S/C(=C/c2c(C)[nH]c3ccccc23)C1=O 6650199 FYZVJZBNDXUQFH-MHWRWJLKSA-N 372.446 3.856 0 40 FHAB CN1[C@H]2CC[C@H]1CC(=CC(=O)Nc1ncc(Cc3ccc(F)cc3)s1)C2 101866937 PUQOUCGVBJPWDA-IRXDYDNUSA-N 371.481 3.995 0 40 FHAB Cc1ccc(-n2[nH]c3nccc(-c4ccc5c(c4)OCO5)c3c2=O)cc1C 10157185 QCBVYDNHZVJACA-UHFFFAOYSA-N 359.385 3.726 0 40 FHAB COc1ccccc1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 2625851 GHILCNBKVJNEBE-UHFFFAOYSA-N 371.396 3.647 0 40 FHAB CN(C)C(=O)C[C@@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccccc1 83844013 QOPGVKGHLSJNMR-QGZVFWFLSA-N 370.518 3.966 0 40 FHAB O=C(Nc1cccc(I)c1)c1cccnc1Cl 8051334 LEVLRWQVVGLYLP-UHFFFAOYSA-N 358.566 3.592 0 40 FHAB Cc1sc2ncnc(N3CCCN(C(=O)C4CCCC4)CC3)c2c1C 32831495 VDMRBJXPAGXXJY-UHFFFAOYSA-N 358.511 3.537 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C 10684187 KZBHECYUYYTOLZ-INIZCTEOSA-N 354.450 3.849 0 40 FHAB Cc1sc(N2CCC[C@H](C)C2)nc1-c1ccc(NS(C)(=O)=O)cc1 71971923 DOZGVRMGWOZLMW-LBPRGKRZSA-N 365.524 3.726 0 40 FHAB O=C(Cc1cccc(F)c1)NCc1ccnc(OCc2ccccc2)c1 32930408 PYODIDLSMOJMAR-UHFFFAOYSA-N 350.393 3.659 0 40 FHAB Oc1nc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc2ccsc12 37181232 MHMZQRDOPCSUAY-CQSZACIVSA-N 369.446 3.505 0 40 FHAB CSc1nccn1-c1ccc(C(=O)Nc2ccccc2CN(C)C)cc1 52666149 PQQCNLJQTNRDCH-UHFFFAOYSA-N 366.490 3.908 0 40 FHAB O=C(CSc1cccc(C(F)(F)F)c1)Nc1ccc2[nH]c(=O)[nH]c2c1 9683187 MZAVHCGIEHEYLV-UHFFFAOYSA-N 367.352 3.606 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1 682968 GQHUBBVVPAHING-UHFFFAOYSA-N 367.426 3.727 0 40 FHAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(Br)c(Cl)c1 101424042 WQBDPEPULFNCMM-XXHBBNRNSA-N 370.630 3.564 0 40 FHAB CCC(=O)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 758697 YJIXRILQTLZHSA-GOSISDBHSA-N 373.250 3.729 0 40 FHAB COc1ccc2oc(=O)c(C(=O)Nc3ccccc3Br)cc2c1 845998 HOUFIQIJDMKYPA-UHFFFAOYSA-N 374.190 3.816 0 40 FHAB CCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3ccccc3)coc2c1 943262 BERMIGFJEXYYHA-CYBMUJFWSA-N 354.358 3.916 0 40 FHAB biogenic Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NCC(F)(F)F 23267020 ZFVAEDUXFJTTHA-UHFFFAOYSA-N 363.792 3.605 0 40 FHAB FC(F)(F)Oc1ccc(Cc2nnc3sc(C4CCC4)nn23)cc1 61718442 XCYNCUDVIUGDLU-UHFFFAOYSA-N 354.357 3.943 0 40 FHAB CC(C)C(=O)N1CCCC[C@@H]1C(=O)N[C@H](C)c1ccc(OC(F)F)cc1 55176124 JAVOAZGEIUGUPV-CZUORRHYSA-N 368.424 3.502 0 40 FHAB COc1ccccc1[C@H](C)N(C)C(=O)c1ccc(-c2nc(C)no2)cc1 25113151 YIXZCRQMCIIUJB-ZDUSSCGKSA-N 351.406 3.887 0 40 FHAB C[C@@H]1Oc2c(C(=O)NCc3ccccc3Cn3ccnc3)cccc2[C@H]1C 25666318 LLDSMCTYSIALMN-HOTGVXAUSA-N 361.445 3.746 0 40 FHAB COc1ccc(NC(=O)N[C@H](C(=O)N2CCCCC2)c2ccccc2)cc1 56345728 XBLGNJDLIIFDRW-IBGZPJMESA-N 367.449 3.571 0 40 FHAB COc1ccc(-c2cnc3n2C[C@@H]2CN(Cc4cccc(C)n4)C[C@H]2C3)cc1 306144880 ZRJCNLGZPILAHR-MOPGFXCFSA-N 374.488 3.566 0 40 FHAB CC[C@H](Oc1ccccc1)C(=O)N(C)Cc1nnc(-c2ccccc2)o1 408714186 KRVRHGNMHAKTRZ-KRWDZBQOSA-N 351.406 3.553 0 40 FHAB O=c1/c(=C/c2ccc(Cl)c(Cl)c2)sc2nnc(-c3ccccc3)n12 2246280 ZBNHNKXKWUXOFV-ZROIWOOFSA-N 374.252 3.673 0 40 FHAB COc1ccc(CCCNC(=O)[C@H](C)Sc2ccccc2)cc1OC 65087101 TXPYZZAIZUEVDX-HNNXBMFYSA-N 359.491 3.933 0 40 FHAB CC(C)c1nn(C)cc1[C@H]1NC(=O)CN1Cc1ccc(-c2ccccc2)cc1 48374233 PSXPVDNTBNYZKO-QHCPKHFHSA-N 374.488 3.841 0 40 FHAB Cc1ccc(OCC(=O)Nc2nc3c(s2)CCC3)c(Br)c1 13023861 QVSIAAPFNYEWSR-UHFFFAOYSA-N 367.268 3.720 0 40 FHAB O=C(O)CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 3893741 QWFOTGYKIXAPED-QGZVFWFLSA-N 356.809 3.883 0 40 FHAB NC(=O)c1ccc(-c2nnc(Nc3ccccc3O)c3ccccc23)cc1 17123463 DOQXRXTVHFOPSX-UHFFFAOYSA-N 356.385 3.845 0 40 FHAB CCOC(=O)c1sc2nc(CSc3ccccc3)[nH]c(=O)c2c1C 13637728 ABIGKKMRHQHDCY-UHFFFAOYSA-N 360.460 3.762 0 40 FHAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@H](c2ccccn2)N1 5072039 ZCEMUQJWEWQGME-FQEVSTJZSA-N 367.412 3.880 0 40 FHAB O=C(N[C@H]1CCCOc2ccc(F)cc21)c1cc(Cl)c2c(c1)OCO2 64808936 YKFGHPJRJSOUGE-AWEZNQCLSA-N 363.772 3.852 0 40 FHAB CC[C@H](C)NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 20241776 LBMIIHJMILENIC-IBGZPJMESA-N 365.521 3.533 0 40 FHAB O=C(Nc1ccccc1)c1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)O 4547077 GWLBDEXJQIOVGY-JKSUJKDBSA-N 366.417 3.768 0 40 FHAB COc1ccccc1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 4689022 CVCNFPJQWRMITG-UHFFFAOYSA-N 374.440 3.920 0 40 FHAB COc1ccc(C(=O)OCc2cc(=O)oc3cc(C)c(C)cc23)cc1OC 6607976 OJDSWTXPGYPWEE-UHFFFAOYSA-N 368.385 3.784 0 40 FHAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1cccc(F)c1 6779496 FOUQVVNPJGAUED-KXBFYZLASA-N 356.441 3.629 0 40 FHAB CCC(=O)N1c2ncnn2[C@H](c2ccc(OC)cc2)C[C@H]1c1ccccc1 4816727 UEEUOSYDHGGHLW-OALUTQOASA-N 362.433 3.764 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)c1 6811303 CIIMRLGARAOHED-UHFFFAOYSA-N 353.374 3.679 0 40 FHAB CCC[C@@H](C(=O)NC[C@@H](c1ccc(OC)cc1)N(C)C)c1ccccc1 6934675 BNSDOIQSEDKUGI-RTWAWAEBSA-N 354.494 3.998 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)Nc1nonc1-c1ccc(Cl)cc1 8915670 NNXIKCXLQMCWOR-LLVKDONJSA-N 373.796 3.805 0 40 FHAB CC(C)(C)c1ccc(OCCN2CCN(c3ccccc3O)CC2)cc1 15378338 PZGRXZPPYVXGGT-UHFFFAOYSA-N 354.494 3.891 0 40 FHAB COc1ccc([C@H](Nc2ncnc3ccsc23)c2nccn2C)cc1 8705085 XYEHEWSOIQUKSI-HNNXBMFYSA-N 351.435 3.635 0 40 FHAB COc1cc(OC)c(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1Cl 15949172 ORYYETHAVMXEGD-GQCTYLIASA-N 361.781 3.738 0 40 FHAB Cc1nc2sc(C(=O)OCc3cccc4cccnc34)c(C)c2c(=O)[nH]1 8777678 XEMJOTXNVCOKIH-UHFFFAOYSA-N 365.414 3.507 0 40 FHAB O=C(Nc1cccc(N2CCCC2=O)c1)C1=Cc2cc(Cl)ccc2OC1 16181945 GEQAMFQZRMLKGV-UHFFFAOYSA-N 368.820 3.881 0 40 FHAB CCc1noc(C)c1C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 8011409 DZQLSPPAWVVPOJ-UHFFFAOYSA-N 373.434 3.938 0 40 FHAB CCOc1ccccc1-c1nn2c(-c3ccc(N(C)C)cc3)nnc2s1 9192515 DCZBOEFLSFMJCV-UHFFFAOYSA-N 365.462 3.985 0 40 FHAB C[C@@H](Sc1ccc2ccccc2n1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 9114824 FSIDYCDHNXUMLD-LLVKDONJSA-N 364.430 3.524 0 40 FHAB COc1ccccc1CN(C)C(=O)CSc1cc(C)nc(C(C)C)n1 9113106 HQCUOVBXBMSAKD-UHFFFAOYSA-N 359.495 3.668 0 40 FHAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccccc1N1CCCC1 9368348 HPCKTFXCZOGTQN-UHFFFAOYSA-N 363.461 3.595 0 40 FHAB COc1cc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc(OC)c1 9478215 JMOXISUGYYRTIO-UHFFFAOYSA-N 366.373 3.801 0 40 FHAB CCNC(=O)[C@@H](C)Sc1nnc(Nc2ccc(C)c(Cl)c2)s1 9501659 UZZVKBRYBRPUOY-SECBINFHSA-N 356.904 3.860 0 40 FHAB COc1ccc([C@H]2S[C@H](C)C(=O)N2c2ncc(C)s2)cc1OC 19927657 SMVJVJXMONMNQJ-MEBBXXQBSA-N 350.465 3.636 0 40 FHAB CCc1cc(NCCc2nc(-c3ccccc3)n[nH]2)nc(-c2ccncc2)n1 97143611 AKCYZBFMVNKRAW-UHFFFAOYSA-N 371.448 3.541 0 40 FHAB Cc1cc(C(=O)N2CCN(C(C)C)CC2)c(C)n1[C@H](C)c1ccccc1 97288146 HDLYOOHNYGCTGI-GOSISDBHSA-N 353.510 3.880 0 40 FHAB CC[C@@]1(C)Cc2nc3nc(S)n(-c4ccccc4C)c(=O)c3cc2CO1 84711140 VCKHVZPHJQCVRA-FQEVSTJZSA-N 367.474 3.619 0 40 FHAB O=C(NCCCn1cccn1)Nc1ccc(Oc2ccc(Cl)cn2)cc1 174157155 FDZIPAWVGTWGOR-UHFFFAOYSA-N 371.828 3.936 0 40 FHAB CCOCc1ccccc1CNS(=O)(=O)c1ccc(C(C)(C)C)cc1 30519232 QBKUWHXAOCPZFO-UHFFFAOYSA-N 361.507 3.999 0 40 FHAB NS(=O)(=O)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 32751236 FXFDCPNUAAXEHR-UHFFFAOYSA-N 373.484 3.734 0 40 FHAB C[C@H]1Cc2cc(-c3cc(CNC(=O)/C=C\c4ccccc4)no3)ccc2O1 36662331 YGCRYXLTHFRANQ-XMELGKRDSA-N 360.413 3.995 0 40 FHAB COc1cc(CN[C@H]2CCC[C@H](C)[C@H]2C)ccc1OCC(=O)N1CCCC1 72659555 XLTHLDILRPMXCA-SCTDSRPQSA-N 374.525 3.611 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(NCC(C)C)nc2)cc1 72213323 XVXPWZRVDFQIKS-LJQANCHMSA-N 373.522 3.984 0 40 FHAB O=C(O)[C@H](c1ccsc1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 566361090 FGETYGGWZGOQJL-GJZGRUSLSA-N 369.389 3.549 0 40 FHAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc2cc(C)ccc2[nH]1 32753132 FTZSUZJQWNXZNF-UHFFFAOYSA-N 350.418 3.910 0 40 FHAB CCO[C@](C)(C(=O)Nc1ccc(O[C@@H](C)COC)c(Cl)c1)C1CC1 225725823 ZRTZKDQKLWAIEV-SGTLLEGYSA-N 355.862 3.897 0 40 FHAB Cc1cc([C@@H](O)CCNC(=O)c2ccc(OC(F)(F)F)cc2)c(C)o1 85561743 QPNJYDVXAYXCHK-HNNXBMFYSA-N 357.328 3.649 0 40 FHAB COc1ccc(OCCNC(=O)CCCc2nc3cc(C)ccc3o2)cc1 224950090 YAFUKMLSSUJJLO-UHFFFAOYSA-N 368.433 3.663 0 40 FHAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2ccc3ccccc3n2)cc1 40121968 RFPVZPUCVFQXOR-HNNXBMFYSA-N 361.445 3.693 0 40 FHAB CC(C)Sc1nnc(NC(=O)Cc2cccc(Br)c2)s1 225624522 NMOWKQIGLOWIPB-UHFFFAOYSA-N 372.313 3.982 0 40 FHAB COc1ccc(CN(C)C(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 224721192 FMCDXIPJBQVKGJ-MRXNPFEDSA-N 353.462 4.000 0 40 FHAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CC 224020719 QAIUILSPKRKDCW-FQEVSTJZSA-N 352.478 3.563 0 40 FHAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C 222526885 ZDTGXRAFMPAQRB-MRXNPFEDSA-N 372.896 3.663 0 40 FHAB CC[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc(OC)c(OC)c1 222654587 OPAFGUQBKMXYBD-INIZCTEOSA-N 371.433 3.633 0 40 FHAB CC(C)COc1ccc(NC(=O)C2(C)COC(=O)OC2)c2ccccc12 225914040 XEBRQKBMFGSZHH-UHFFFAOYSA-N 357.406 3.986 0 40 FHAB COc1cccc(OC)c1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(C)=O 257208943 BOEMQFQNEVJZGI-DDMOLBPLSA-N 373.493 3.722 0 40 FHAB CC(C)NC(=O)CCNC(=O)N1CCC[C@H]1c1cccc2ccccc12 56606697 NPVOYYTXJUTXOD-IBGZPJMESA-N 353.466 3.601 0 40 FHAB Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1CCN(Cc2ccccc2)C1 73153007 WLPJRHDFSCUOTH-KRWDZBQOSA-N 353.422 3.754 0 40 FHAB CC(C)(C)c1ccc(NC(=O)N2CCC(Oc3cccnn3)CC2)cc1 96102926 CGGRNBGWOXQLMA-UHFFFAOYSA-N 354.454 3.849 0 40 FHAB COc1cc(=O)n2c(c1C(=O)Nc1cc(Cl)ccc1Cl)CCCC2 169752767 WWYVTYIMENFWOD-UHFFFAOYSA-N 367.232 3.752 0 40 FHAB CCCNC(=O)Nc1ccc(CC(=O)NCC2C[C@@H](C)C[C@H](C)C2)cc1 1165885252 NFGKKRUIRGYJPF-HOTGVXAUSA-N 359.514 3.949 0 40 FHAB Clc1ccc(OCc2nnc3n2N=C(c2cccs2)CS3)cc1 5144412 ZYJVJMBRVMEHMU-UHFFFAOYSA-N 362.867 3.930 0 40 FHAB COc1cc(C)c(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2cccnc2)cc1C 12135008 KCFXASUERUKMJE-TYABSZSSSA-N 366.505 3.827 0 40 FHAB O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccc(Br)cc1 12775817 AQQPKQPNPQNRFG-UHFFFAOYSA-N 359.223 3.594 0 40 FHAB Cc1cc(CNC(=O)c2ccc(Cl)cc2N2CCCC2=O)ccc1F 12911677 KSOYZUQLMNDNMZ-UHFFFAOYSA-N 360.816 3.844 0 40 FHAB Cc1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 14003302 MCTVGOJNUGWHJM-UHFFFAOYSA-N 364.401 3.536 0 40 FHAB CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2Cc1ccccc1F 19017771 PXAOSERBMOGCIZ-CEMLEFRQSA-N 370.443 3.944 0 40 FHAB COc1cccc(CCNc2ncc(-c3cnccn3)c(-c3ccco3)n2)c1 19564610 WZDZZEWVZKFRDE-UHFFFAOYSA-N 373.416 3.857 0 40 FHAB CC1=C(C(=O)OC(C)(C)C)C(c2ccc[nH]2)C(C(=O)OC(C)(C)C)=C(C)N1 19597569 SHOLQXOQYUAPQN-UHFFFAOYSA-N 374.481 3.933 0 40 FHAB CCN(C(C)=O)[C@@H]1CN(Cc2ccc(NC(C)=O)cc2)C2(CCCCC2)C1 19703996 RVAFIYLMJSLNQF-NRFANRHFSA-N 371.525 3.791 0 40 FHAB Cc1cccc(NC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)c1 19911182 QVLSUARCLGBFRQ-UHFFFAOYSA-N 358.348 3.738 0 40 FHAB O=C(Nc1ccc(Oc2ccncc2)c(Cl)c1)[C@@H]1CC[C@@H](C2CC2)N1 653115180 GCYQYKUFDLTRKF-IRXDYDNUSA-N 357.841 3.996 0 40 FHAB C[C@@H]1Cc2cc([C@@H](O)CN3CC=C(c4ccc(F)cc4)CC3)ccc2O1 12361265 JBVMJBKSIHWTQO-VFNWGFHPSA-N 353.437 3.972 0 40 FHAB O=C(COC(=O)c1cnc(Cl)c(Cl)c1)NCc1ccc(Cl)cc1 2637231 PYPJUONIZSSBTJ-UHFFFAOYSA-N 373.623 3.515 0 40 FHAB CC(C)C(=O)Nc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1 11718436 FDMVVBUWAAXFQD-UHFFFAOYSA-N 365.433 3.660 0 40 FHAB CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 25091246 YPQJEHBIUUOYGI-SJORKVTESA-N 356.466 3.675 0 40 FHAB O=S(=O)(NCc1ccnc(-c2cccs2)c1)c1cc(F)cc(F)c1 238828668 FJICHQGVFUQTDA-UHFFFAOYSA-N 366.414 3.567 0 40 FHAB O=C(Cc1ccccc1Cl)NC[C@@](O)(c1ccoc1)c1cccs1 238818191 BZEIYHBWMZHHHO-GOSISDBHSA-N 361.850 3.589 0 40 FHAB Cc1cccc2sc(N3CCN(C(=O)CCc4ccccc4)CC3)nc12 4583471 CMYNUEWKLFHWNC-UHFFFAOYSA-N 365.502 3.886 0 40 FHAB O=C(NCCc1ccccc1)N1CCn2cccc2[C@H]1c1ccccc1F 4854310 IVTXMDJHXHUXBA-OAQYLSRUSA-N 363.436 3.985 0 40 FHAB Cc1nc2ccccc2n1CC1CCN(C(=O)Cc2ccc(F)cc2)CC1 38534968 ICWAIIYGFBTFMQ-UHFFFAOYSA-N 365.452 3.965 0 40 FHAB CC[C@@H](NCc1cnc(N2CCC(C)CC2)nc1)c1ccc(OC)cc1 19500521 AQGQZMOKTBKICM-HXUWFJFHSA-N 354.498 3.962 0 40 FHAB C[C@@H]1CCC[C@H](NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)[C@@H]1C 40086854 WUWCTCQCGHHQDQ-OPYAIIAOSA-N 370.537 3.799 0 40 FHAB CN(C)c1c(F)cc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)cc1F 40156148 RIULTFDZMTWCEV-UHFFFAOYSA-N 360.339 3.608 0 40 FHAB O=C(O)C1=C[C@@H](c2cccc(Cl)c2)n2nc(-c3ccccc3)nc2N1 100247784 DPDXRYQDAQYMHU-HNNXBMFYSA-N 352.781 3.582 0 40 FHAB Cc1ccc(-c2nc(C(=O)Nc3cccc(-c4nncn4C)c3)cs2)o1 31371194 AAEWQOPVHYVOBJ-UHFFFAOYSA-N 365.418 3.759 0 40 FHAB O=C(N1CCC(c2nnc3ccccn23)CC1)C12CC3CC(CC(C3)C1)C2 28735714 SAHQKFJNQMQOQT-UHFFFAOYSA-N 364.493 3.652 0 40 FHAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)N(C)Cc1ccc(C(C)(C)C)cc1 11333666 PGNAKMDMYKMXJR-UHFFFAOYSA-N 373.522 3.630 0 40 FHAB CC(C)OC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1 779117 QRUCEKWJECFTOL-UHFFFAOYSA-N 357.435 3.630 0 40 FHAB CCOC(=O)c1sc(NC(=O)c2cccc(C(F)(F)F)c2)nc1C 2543579 LLFRXBLPUPBHRK-UHFFFAOYSA-N 358.341 3.899 0 40 FHAB O=C(O)CC[C@@H](CNC(=O)c1ccc(Cl)c(Cl)c1)C(F)(F)F 3359237 PYVVBJHYOSPZLP-QMMMGPOBSA-N 358.143 3.767 0 40 FHAB Cn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccc(Cl)cc1 3485809 ORCLVXBOHQFJPL-UHFFFAOYSA-N 372.881 3.544 0 40 FHAB O=C1Nc2ccccc2[C@@H]1CCC(=O)N1CCc2[nH]c3ccccc3c2C1 20760720 OEWWCMVDYRXNFG-INIZCTEOSA-N 359.429 3.569 0 40 FHAB biogenic O=C(NCc1cccc(NC(=O)C2CC2)c1)c1cccc(Br)c1 21066431 DQBSVLIGOLGPNO-UHFFFAOYSA-N 373.250 3.728 0 40 FHAB CCN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C1=O 6630184 GJVJDMCSZWIUFE-MHWRWJLKSA-N 357.841 3.969 0 40 FHAB CCOC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2C(=O)OC)o1 6954567 ORBWXZHHQYWHSS-DHZHZOJOSA-N 359.765 3.857 0 40 FHAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1cccc(F)c1 7683394 LZCROQHNBKEPAW-UHFFFAOYSA-N 350.275 3.678 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1Cl 7708225 XYCRNWYRWJMDSB-UHFFFAOYSA-N 364.854 3.576 0 40 FHAB Cc1cccc(-c2noc(CN(C)C(=O)COc3cccc(C)c3C)n2)c1 7721442 LYVPFBQFXMPOFD-UHFFFAOYSA-N 365.433 3.699 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 7928112 SZFUYFNZYBAWSL-HNNXBMFYSA-N 370.836 3.843 0 40 FHAB CC(C)(C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1)c1ccccc1 32760613 XJPPKOCBNQRDMT-KRWDZBQOSA-N 366.509 3.688 0 40 FHAB COc1ccccc1CNC(=O)CS[C@@H]1CCc2ccccc2N=C1O 11865931 MITGHDQIMNBPFG-GOSISDBHSA-N 370.474 3.648 0 40 FHAB COc1ccc(CN(C)Cc2ccc(C(=O)N3CCCC3)cc2)c(OC)c1 32869440 AVXSKPYIBVWVOA-UHFFFAOYSA-N 368.477 3.572 0 40 FHAB COc1ccc(C2=CCN(C(=O)NCCOc3cccc(C)c3)CC2)cc1 32936958 GLJSZWUMPLQAIS-UHFFFAOYSA-N 366.461 3.881 0 40 FHAB CC[C@H](C(=O)Nc1cc(C)on1)N(C)Cc1cc(Br)cs1 52847923 OYYJFRIHASDRIG-GFCCVEGCSA-N 372.288 3.656 0 40 FHAB O=C(Nc1nc(CN2CCCCC2)cs1)c1cc(O)nc2ccccc12 22289530 XTZHSCKNKJXAMU-UHFFFAOYSA-N 368.462 3.635 0 40 FHAB COc1ccc(-c2nc3ccc(Br)cc3c(=O)o2)c(OC)c1 713452 ZJCGBDNXWJEDND-UHFFFAOYSA-N 362.179 3.635 0 40 FHAB COC(=O)c1ccc2c(c1)[C@@H]1C[C@@](C)(O2)N(c2cc(F)ccc2F)C(=O)N1 101085184 ILGAOPRKZGSNDU-IFXJQAMLSA-N 374.343 3.521 0 40 FHAB O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1ccc(F)cc1F 869787 COQRQKMHCLJHAD-UHFFFAOYSA-N 359.298 3.698 0 40 FHAB Clc1n[nH]c2c(CN(Cc3ccccc3)C[C@H]3CCCO3)cncc12 57811025 SVOGFUOETIBZJE-MRXNPFEDSA-N 356.857 3.793 0 40 FHAB C[C@H]1C[C@H]1C(=O)NCC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1 23188265 BOMFBAHHHGUYGS-SWLSCSKDSA-N 371.506 3.818 0 40 FHAB O=C(C[C@H]1OCCc2ccsc21)NCCNc1nc2ccccc2s1 89878629 NLMZAFBGYJUCKO-CQSZACIVSA-N 373.503 3.590 0 40 FHAB CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(OC)cc1 976415 AHFDVHVFKYXPAQ-UHFFFAOYSA-N 353.447 3.949 0 40 FHAB Cc1cccc(OCC(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)c1 12111523 SLZYDEBXWXPEEA-UHFFFAOYSA-N 367.405 3.850 0 40 FHAB Cc1c(Br)c(-c2nnc(Cc3cccc(Cl)c3)o2)nn1C 2804739 YRYZENVNRQQJEW-UHFFFAOYSA-N 367.634 3.785 0 40 FHAB NC(=O)[C@@H](Sc1ncnc2ccc(Br)cc12)c1ccccc1 24836085 HOFNVMAFBXCDEL-AWEZNQCLSA-N 374.263 3.711 0 40 FHAB CC(C)C[C@H](NC(=O)CNC(=O)/C=C/c1ccccc1)c1ccccc1 24929654 CJNUBPHUUPXEIL-AIGDTVQASA-N 350.462 3.720 0 40 FHAB CCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 103717837 LNJMDJPEGMVYEN-OAHLLOKOSA-N 370.424 3.996 0 40 FHAB CCC(CC)[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)c1cccs1 56007726 NZWKJUQNNZWTHH-LJQANCHMSA-N 369.490 3.752 0 40 FHAB O=C(Cc1nc(COC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cs1)Nc1ccccc1 107343053 NELCAJYDWNQFJU-ZQIUZPCESA-N 370.474 3.804 0 40 FHAB CC(=O)Nc1cccc2c1CCN(C(=O)Nc1ccc(F)c(F)c1F)C2 56539919 BQQFZFVJPVWPOM-UHFFFAOYSA-N 363.339 3.653 0 40 FHAB CN1C(=O)C[C@H](C(=O)Nc2ccc3cc[nH]c3c2)[C@H]1c1ccc(Cl)cc1 61719425 KNXMRRJUWHVILJ-QFBILLFUSA-N 367.836 3.979 0 40 FHAB C[C@H](Oc1cccc(Br)c1)C(=O)Nc1nnc(C2CC2)s1 27757299 HXXRWVNWEJRKOI-QMMMGPOBSA-N 368.256 3.584 0 40 FHAB CC(C)[C@H](Sc1nnc(COc2ccccc2Cl)o1)C(=O)N(C)C 58192225 ZMMZBHNZTLYHHX-AWEZNQCLSA-N 369.874 3.507 0 40 FHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(C)Cc1ccco1 10132490 CZWDOLSCHPDMAQ-UHFFFAOYSA-N 362.433 3.684 0 40 FHAB CCN(CC)c1ccc(NC(=O)Nc2cccc(NC(=O)OC)c2)cn1 58382269 XDCONWIJNRWTBS-UHFFFAOYSA-N 357.414 3.750 0 40 FHAB COC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1C 3258235 HGVBSIUMMYCRRM-UHFFFAOYSA-N 374.849 3.613 0 40 FHAB CCn1c(SCC(=O)N(C)[C@H]2CCCc3ccccc32)nnc1C1CC1 7618698 FNVNLPQQBGUOTM-KRWDZBQOSA-N 370.522 3.804 0 40 FHAB CC[C@H](C)C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC 12794497 BKICXDXDGPKEAP-ZDUSSCGKSA-N 356.422 3.941 0 40 FHAB O=c1c(Cl)c(Cl)cnn1CNC1(c2ccc(F)cc2)CCCC1 48289314 OKEHELWQJGYIHI-UHFFFAOYSA-N 356.228 3.706 0 40 FHAB O=C(NCc1ccc2c(c1)OCO2)Nc1cccnc1Oc1ccccc1 48353646 MSQPVDMQDLSLNY-UHFFFAOYSA-N 363.373 3.924 0 40 FHAB CSc1ccccc1NC(=O)CN(C)CCO[C@H]1CCCC[C@H]1C 48353620 HUBFKQFUQVQGLL-WBVHZDCISA-N 350.528 3.874 0 40 FHAB COC(=O)[C@@H](C)Sc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 12804455 FLQUDTHQWNKDFF-LLVKDONJSA-N 366.508 3.844 0 40 FHAB COc1ccc2cc(CNC(=O)[C@H]3Oc4ccccc4O[C@@H]3C)ccc2c1 12845490 BKSDRAAOQZWXKM-SZNDQCEHSA-N 363.413 3.693 0 40 FHAB CCOc1cc2c(cc1NC(=O)Cc1ccc(OC)c(F)c1)O[C@H](C)C2 12894311 NITKQEDGOCZRFY-GFCCVEGCSA-N 359.397 3.738 0 40 FHAB Cc1ccccc1-n1c(S[C@@H](C)C(N)=O)nnc1-c1ccc(Cl)cc1 3487602 ZIAORYNTGDYHBT-LBPRGKRZSA-N 372.881 3.862 0 40 FHAB O=C(CSc1nnc2c(Cl)cc(Cl)cn12)NCC1CCCCC1 3404062 LTJOWEVMAJCREU-UHFFFAOYSA-N 373.309 3.825 0 40 FHAB Cc1oc(-c2ccccc2)nc1CSc1nnnn1Cc1ccco1 12988622 JLDSDMBDOZXADW-UHFFFAOYSA-N 353.407 3.570 0 40 FHAB Cc1ccc(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)cn1 12902297 LZMCUSTULQPHDW-UHFFFAOYSA-N 350.447 3.662 0 40 FHAB COc1cc(CC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)ccc1C 12978062 VPUXEESDXHJTRN-QFIPXVFZSA-N 369.461 3.831 0 40 FHAB CN(C(=O)CCn1c(=O)oc2ccccc21)[C@H]1CCCc2ccccc21 13020228 DKLGQPHFPNJVHS-KRWDZBQOSA-N 350.418 3.521 0 40 FHAB COC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(SC(F)F)cc1 68560550 UFMGPJYNMJGDPL-OAHLLOKOSA-N 363.385 3.746 0 40 FHAB CCCn1c(=O)n(CCC(=O)Nc2ccc(C)cc2C)c2ccccc21 16202915 KEOZQHMWEMYVSZ-UHFFFAOYSA-N 351.450 3.859 0 40 FHAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N(C)Cc1cccc(F)c1 7905440 UWIIWGSBWQJLRV-LBPRGKRZSA-N 374.485 3.769 0 40 FHAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)NC4CC4)c(C)c3cc2c1C 4084347 IUMCKRLFGDPRQN-UHFFFAOYSA-N 353.418 3.984 0 40 FHAB biogenic O=C(Nc1ccc(Cl)cc1F)[C@@H]1CCCN1C(=O)c1cccs1 8122783 ZJDFTSBARUSHIO-ZDUSSCGKSA-N 352.818 3.784 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 175116232 RXWYJUUEOUNLID-BBRMVZONSA-N 359.397 3.632 0 40 FHAB CCCNC(=O)c1nn(-c2ccccc2)cc1-c1ccc(OC)c(OC)c1 14083040 GOSSAAPNDXONQH-UHFFFAOYSA-N 365.433 3.696 0 40 FHAB O=C(NCCc1cccs1)c1nn(-c2ccc(F)cc2)c2c1CCCC2 14049987 KJHGNSAZIMKJFS-UHFFFAOYSA-N 369.465 3.924 0 40 FHAB COc1ccc2c(CC(=O)NCCOc3ccc(C)cc3C)coc2c1 14199028 OQWHESIXRDKAEG-UHFFFAOYSA-N 353.418 3.796 0 40 FHAB COc1cccc(C(=O)COC(=O)CCCC(=O)Nc2cccc(C)c2)c1 4543952 GTMFSLOWNNHKMU-UHFFFAOYSA-N 369.417 3.539 0 40 FHAB COc1ccccc1CN(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 6581236 DFBPIZOHAUUBKI-UHFFFAOYSA-N 368.355 3.664 0 40 FHAB CCOc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)cc1 6648472 LBKABBYLORJAQK-IBGZPJMESA-N 354.450 3.787 0 40 FHAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCCc1ccccn1 6841111 CZGSNJJOPBZJLZ-UHFFFAOYSA-N 355.290 3.981 0 40 FHAB O=C(NCCCNC(=O)c1cc(Cl)ccc1Cl)c1cccs1 8402306 XLTBPLHZDFAQNP-UHFFFAOYSA-N 357.262 3.605 0 40 FHAB CCc1ccc(-c2n[nH]c(SCC(=O)NC3CCC(C)CC3)n2)cc1 8483798 HSWMIKNJFHIWNI-UHFFFAOYSA-N 358.511 3.821 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H]1CC(O)=Nc2nc3ccccc3n21 9668775 NYJQCXJQNSHLES-HNNXBMFYSA-N 350.378 3.607 0 40 FHAB C[C@@H](NCc1ccc2c(c1)C(=O)NCC2)c1ccc(-c2ccncc2)cc1 542683431 PRKTVFGGUDJEDV-MRXNPFEDSA-N 357.457 3.885 0 40 FHAB COCCCNC(=O)C(C)(C)Oc1ccc([C@H]2CC2(Cl)Cl)cc1 71285171 SSVSIFOQIJNCQL-CQSZACIVSA-N 360.281 3.658 0 40 FHAB COc1ccc(Cc2nn3c(-c4ccsc4)nnc3s2)cc1OC 71282272 AYSCSNMDFIHPRX-UHFFFAOYSA-N 358.448 3.522 0 40 FHAB NC(=O)c1cccc(NC(=O)COc2ccc3oc4ccccc4c3c2)c1 9154613 PQVFNGGKGHWISA-UHFFFAOYSA-N 360.369 3.702 0 40 FHAB CC(=O)Nc1ccccc1OCC(=O)N(Cc1ccccc1)C(C)(C)C 9499668 OMIIDNZNEKIYIR-UHFFFAOYSA-N 354.450 3.851 0 40 FHAB Cc1ccc(C)c(CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)c1 9501122 MVVQBPOPPRQRSH-UHFFFAOYSA-N 366.461 3.563 0 40 FHAB CCO[C@@H]1C[C@H](NC(=O)Nc2nc(-c3cccnc3)cs2)C12CCC2 76068757 AVTAFOIAMTVHSF-LSDHHAIUSA-N 358.467 3.674 0 40 FHAB Cc1ccc(F)c(NS(=O)(=O)c2ccc3ccccc3c2)c1C(=O)O 84147724 DUQZKFHEZPZAOM-UHFFFAOYSA-N 359.378 3.786 0 40 FHAB COCC1CCN(C(=O)Nc2ccc(OCCc3ccccc3)nc2)CC1 77527941 JSDJAKARLCCXEH-UHFFFAOYSA-N 369.465 3.593 0 40 FHAB O=C(NCc1ccccc1Cl)Nc1ccc(N2CCOCC2)c(F)c1 78468628 SJYHMRXMLODSPK-UHFFFAOYSA-N 363.820 3.637 0 40 FHAB CCN(CC)C(=O)CCCNC(=O)c1cccc(N[C@@H](C)C(C)C)c1C 72304056 HSMNJLFQHPLMEE-KRWDZBQOSA-N 361.530 3.830 0 40 FHAB COC(=O)c1ccc(CCSc2nc(-c3ccccc3F)n[nH]2)cc1 79072670 JGISKRNBAJZQJN-UHFFFAOYSA-N 357.410 3.732 0 40 FHAB COC(=O)[C@@H]1CCN(C(=O)[C@H]2CCCC[C@@H]2c2nc3ccccc3s2)C1 95954319 KLLVXGJZQSPOJS-ILXRZTDVSA-N 372.490 3.592 0 40 FHAB COCCOCCCC(=O)N(c1ccc2c(c1)OCO2)C1CCCCC1 89414770 DBMDOEHMBABXJB-UHFFFAOYSA-N 363.454 3.524 0 40 FHAB COCCn1ccc2c(C(=O)N3CCO[C@@H](c4ccccc4)C3)cccc21 79475284 FRTAPBODZGQODA-OAQYLSRUSA-N 364.445 3.501 0 40 FHAB O=C(NCCCc1ccccc1Cl)c1cccc(CN2CCOCC2)c1 20492320 YOMWMQIGIDUYNC-UHFFFAOYSA-N 372.896 3.535 0 40 FHAB Cc1ccccc1[C@H]1CN(C(=O)NCC2(c3ccccn3)CCC2)CCO1 553977590 SBNYJOMXDHJCCF-LJQANCHMSA-N 365.477 3.595 0 40 FHAB COc1ccc(-c2nc(C(=O)Nc3cncc(F)c3)cs2)cc1OC 545284378 XHWPNEOTEGSOSR-UHFFFAOYSA-N 359.382 3.614 0 40 FHAB Cc1ccn2c(=O)cc(CSCC(=O)Nc3ccc(Cl)cc3)nc2c1 33026745 YGHNRVJKEOONBU-UHFFFAOYSA-N 373.865 3.528 0 40 FHAB O=C(CCCc1ccccc1)N1CCC[C@@H](c2cccc(-n3ccnc3)n2)C1 72378552 IQEPLQNGEBOZLQ-HXUWFJFHSA-N 374.488 3.996 0 40 FHAB Cc1ccc(-c2nc3ccc(N)cc3o2)cc1I 216743375 VIDXVNFGDINIHF-UHFFFAOYSA-N 350.159 3.990 0 40 FHAB O[C@H](COc1ccccc1F)Cn1c(C(F)(F)F)nc2ccccc21 32907304 NSAKIOMNIPLFED-NSHDSACASA-N 354.303 3.634 0 40 FHAB CCOc1ccc(C(=O)NCCCN(C)c2ccccc2)cc1OCC 30014724 CZORWPMEJHEJAB-UHFFFAOYSA-N 356.466 3.740 0 40 FHAB CN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)Nc1ccc2c(c1)OCCCO2 1565519785 HJDSWBMHHQTXSX-SJLPKXTDSA-N 373.497 3.576 0 40 FHAB biogenic COc1cc(OC)cc(C(=O)NCCc2ccc(OC(F)(F)F)cc2)c1 48344304 NSQRHRSUPSFSRB-UHFFFAOYSA-N 369.339 3.575 0 40 FHAB CCc1ccccc1O[C@@H](C)C(=O)NCc1cccc(CN2CCCC2)c1 224623375 URUSGOUVUOIWNL-SFHVURJKSA-N 366.505 3.929 0 40 FHAB COc1ccccc1CN(C)CCC(=O)Nc1cc(Cl)ccc1OC 40024992 PROJEITZCIARDP-UHFFFAOYSA-N 362.857 3.818 0 40 FHAB CCn1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3cccc(C)c3)ccc21 225097775 BNFMDQRUWKEJAJ-CYBMUJFWSA-N 356.447 3.797 0 40 FHAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1O 224620528 QFCOVOHKQZHMJY-RTBURBONSA-N 364.474 3.786 0 40 FHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccccc1-n1ccnc1 44844295 BWVFXZULGWDHKJ-FQEVSTJZSA-N 363.461 3.963 0 40 FHAB COC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 222847452 YVJDEGOXISCAMZ-CQSZACIVSA-N 353.418 3.758 0 40 FHAB Cc1cc(OCC(=O)Nc2ccc3nc(NN)sc3c2)ccc1Cl 226312744 DVTVBRYLGUPCJZ-UHFFFAOYSA-N 362.842 3.561 0 40 FHAB COc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1ccc(C)c(C)c1 224287061 BQVPTFWODXCSEE-HXUWFJFHSA-N 369.461 3.800 0 40 FHAB CS(=O)(=O)Nc1cc(C(=O)NC2CCCCCCC2)ccc1Cl 139471096 PPYLGNGUQAMFCS-UHFFFAOYSA-N 358.891 3.554 0 40 FHAB O=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 40073371 SDVWYRQMKZZBMV-GFCCVEGCSA-N 370.261 3.693 0 40 FHAB COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2C)ccc1Cl 223828178 WYTVALVKPCMBCU-UHFFFAOYSA-N 374.245 3.889 0 40 FHAB Cc1ccc([C@H]2[C@@H](C(=O)Nc3c(C)nn(C(C)C)c3C)CC(=O)N2C)cc1 96181248 GKBCQZSXTQUKIF-PXNSSMCTSA-N 368.481 3.547 0 40 FHAB COCCN1CCC2(CC1)C[C@@H](NCc1csc(C)n1)c1ccccc12 96078999 POSNRBHBWGCZAU-HXUWFJFHSA-N 371.550 3.666 0 40 FHAB Cc1ccc(N2CCC[C@H]2c2nnn3cc(-c4cccc(F)c4)ccc23)nn1 96267901 CZQRBTMUQOZCHD-SFHVURJKSA-N 374.423 3.975 0 40 FHAB c1ccc2c(c1)[C@H](N1CCOCC1)CCC21CCN(c2nccs2)CC1 96079676 PHJIDPLJSCCXJA-LJQANCHMSA-N 369.534 3.848 0 40 FHAB CCOc1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)cc1 95067902 MBRXBKAVVSFAEE-UHFFFAOYSA-N 374.231 3.788 0 40 FHAB COc1cccc(CN2CCC[C@@]3(CCN(Cc4csc(C)n4)C3)C2)c1 96215576 ZDPYZLFPSVWZAX-OAQYLSRUSA-N 371.550 3.948 0 40 FHAB Clc1ccc2nc(-c3ccccc3)c(I)n2n1 96536908 GWKYLKYPPXFZMZ-UHFFFAOYSA-N 355.566 3.654 0 40 FHAB Cc1ccc(CN2CCO[C@H]3[C@@H]2CC[C@@H]3COCc2cccnc2)s1 96055299 RPOKHDYDPWYAEF-YZGWKJHDSA-N 358.507 3.648 0 40 FHAB O=C(C1CCCC1)N1CCO[C@H](c2cccc(Cc3ccccc3)n2)C1 257273888 NIQFYVBRYPZKSU-NRFANRHFSA-N 350.462 3.763 0 40 FHAB C[C@H](NC(=O)N1CCC[C@H]1Cn1cncn1)c1ccc(Cl)c(Cl)c1 602296564 HCZMWTMTWOYYSD-AAEUAGOBSA-N 368.268 3.520 0 40 FHAB C[C@H]1COCC[C@@H]1NC(=O)N1CCC(CCc2ccc(F)cc2F)CC1 654546582 WHOMPONUSMTXEZ-LIRRHRJNSA-N 366.452 3.744 0 40 FHAB Cc1ccc(-c2ccc(C(=O)NC3CCOCC3)nc2)cc1C(F)(F)F 665221846 OFCDBONQSLFRSN-UHFFFAOYSA-N 364.367 3.985 0 40 FHAB C[C@H]1CC(=O)CC[C@H]1C(=O)OCc1nc2cc(C(F)(F)F)ccc2o1 95976518 BDIQRNZZHSVEKS-JOYOIKCWSA-N 355.312 3.895 0 40 FHAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(N4CCCCC4)o3)C2=O)cc1 6064278 DKBVOOYIHWTQKU-QGOAFFKASA-N 365.433 3.671 0 40 FHAB COc1ccc(OCC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 11999853 CJJQNHVMNYXIKF-UHFFFAOYSA-N 366.417 3.621 0 40 FHAB Cc1ccc(-n2cccc2CN(Cc2ccc(C)s2)C[C@H](C)O)nc1 12147977 QBYMVZVVJJSUQW-INIZCTEOSA-N 355.507 3.934 0 40 FHAB COc1cccc(CNc2ncc(-c3cnccn3)c(-c3ccco3)n2)c1 12184652 QLODZVULHZJMKY-UHFFFAOYSA-N 359.389 3.814 0 40 FHAB Cc1ccc(-c2csc(SCC(=O)N3C[C@H](C)O[C@H](C)C3)n2)cc1 18145207 ABEDXZBKQRXYMS-OKILXGFUSA-N 362.520 3.846 0 40 FHAB CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2Cc1ccncc1 19017601 ACNZXPFERIXZSX-DNVJHFABSA-N 363.505 3.841 0 40 FHAB Cc1cc(C)c2c(C3CCN(C(=O)C4CC4)CC3)nn(CC(C)C)c2n1 19118881 WHAYZZCAMNXPNC-UHFFFAOYSA-N 354.498 3.820 0 40 FHAB CCn1ncc(-c2cc(C(=O)Nc3ccc4c(c3)N(C)CCC4)on2)c1C 19719081 WIHXFSKZVCGYMN-UHFFFAOYSA-N 365.437 3.501 0 40 FHAB O=C(Nc1ccc(OC(F)F)cc1)c1ncn(-c2ccc(Cl)cc2)n1 19910822 WQNYUEAAYMWJDE-UHFFFAOYSA-N 364.739 3.774 0 40 FHAB Cc1oc2c3c(ccc2c(=O)c1-c1ccc2c(c1)OCCCO2)OCCO3 630367 WKRRJEHWKAFNAT-UHFFFAOYSA-N 366.369 3.701 0 40 FHAB biogenic CC(C)C(=O)N1CCC2(CCCCc3ccccc3OCCN(C)C2)CC1 643570567 JMAYPAPWVMFZTP-UHFFFAOYSA-N 372.553 3.988 0 40 FHAB Cc1cccc(N=c2cc(C)nc([C@H]3CCCCN3Cc3ccccn3)[nH]2)n1 643912211 XUSKXDKRGALEGF-LJQANCHMSA-N 374.492 3.776 0 40 FHAB Cc1ccc(OCC2(O)CCN(C(=O)c3ccc(C)c(F)c3)CC2)cc1C 2037916189 UIMARWFBHKCXJN-UHFFFAOYSA-N 371.452 3.797 0 40 FHAB Cc1cnc(C)c(OC2CCN(c3cc(C(F)(F)F)ccn3)CC2)n1 2086954078 ILBWMSGGDDRXJW-UHFFFAOYSA-N 352.360 3.555 0 40 FHAB COc1cccc(OC)c1C(=O)N1CCN=C1SCc1ccccc1F 4120525 DJNZUIFDLANHAM-UHFFFAOYSA-N 374.437 3.588 0 40 FHAB COc1ccc(N2C[C@@H](CNC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 9039109 NFOIMFUFCMEZAZ-CYBMUJFWSA-N 373.840 3.523 0 40 FHAB Cc1ccc(-n2ncc3c(C)nn(Cc4ccc(F)cc4)c(=O)c32)c(C)c1 12228741 ANMKYJGTNHSHEY-UHFFFAOYSA-N 362.408 3.695 0 40 FHAB CN(c1ncc(Cl)cn1)C1CCN(c2ccnc3ccsc23)CC1 2086889652 IDYWZGFEYXAOES-UHFFFAOYSA-N 359.886 3.845 0 40 FHAB CO[C@@H](CNC(=O)c1cc(Br)cs1)c1ccccc1C 96105035 YJDDBVQHRKDWIU-ZDUSSCGKSA-N 354.269 3.937 0 40 FHAB Cc1cnc(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3F)s2)cn1 40110694 PGTPVOPUVZXGLQ-UHFFFAOYSA-N 364.352 3.502 0 40 FHAB Cc1cc(C(=O)Nc2ccc(N(C)C)c(Cl)c2)c2c(C)nn(C)c2n1 40152527 LUFWCCNWZQUPNF-UHFFFAOYSA-N 357.845 3.557 0 40 FHAB O=C1CCSc2ccc(C(=O)Nc3ccccc3OC(F)F)cc2N1 40159713 WYELUZLMZIHIRU-UHFFFAOYSA-N 364.373 3.975 0 40 FHAB CN(C)Cc1nc(SCC(=O)Nc2ccc(F)cc2)c2ccccc2n1 31619172 UBHARESZEDXPPD-UHFFFAOYSA-N 370.453 3.561 0 40 FHAB C[C@H](NC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(F)c(F)c1 8394909 CXCCWOCXMPTTEX-ZDUSSCGKSA-N 363.383 3.697 0 40 FHAB CCOc1ccc(OCCNC(=O)c2c(-c3ccccc3)noc2C)cc1 8387926 UWCOLXMAHYBWEH-UHFFFAOYSA-N 366.417 3.858 0 40 FHAB CC(C)=CC(=O)OCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 11583078 XUFIKNJBSYPLQM-AWEZNQCLSA-N 358.419 3.528 0 40 FHAB CN(C)P(=O)(C(Cl)=C(N1CCCCC1)N1CCCCC1)N(C)C 3197223 KCANVEYUHCAMAP-UHFFFAOYSA-N 362.886 3.640 0 40 FHAB O=C(O)CCCCCNC(=O)Cc1csc(-c2ccccc2Cl)n1 20724272 GHDIAOSFEXHBTH-UHFFFAOYSA-N 366.870 3.767 0 40 FHAB CCCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OC1CCCC1 4426824 MVJVZBKNPBGSCM-GOSISDBHSA-N 358.438 3.589 0 40 FHAB O=C(N[C@H](c1cccs1)C1CCCC1)C1CCN(C(=O)C2CC2)CC1 32396751 SJDGHQSOZFMHLN-SFHVURJKSA-N 360.523 3.744 0 40 FHAB O=C(Nc1ccccc1F)c1ccc(C(=O)Nc2ccccc2F)nc1 6336897 CSQJYOWNLYWHCY-UHFFFAOYSA-N 353.328 3.864 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)c1ccccc1N(C)S(C)(=O)=O 6479184 MWIVXFQBWSJLNM-UHFFFAOYSA-N 360.479 3.767 0 40 FHAB Cc1nc(NC(=O)c2ccccc2Cl)ccc1I 6831194 NZPUJVQIXZNAKJ-UHFFFAOYSA-N 372.593 3.900 0 40 FHAB Cc1nnsc1C(=O)Nc1ccccc1-c1nc(-c2ccccc2)no1 32593988 UVYBCYUDTCOVDD-UHFFFAOYSA-N 363.402 3.816 0 40 FHAB CCOc1ccc(-c2nc(NC(=O)[C@H](C)Oc3ccccc3F)no2)cc1 32623979 CWGAJEXSILPLPX-LBPRGKRZSA-N 371.368 3.680 0 40 FHAB COc1cc(CNC[C@H](C)O)cc(Cl)c1OCc1ccc(F)cc1 8497896 LYKCEZZGBMSNGK-LBPRGKRZSA-N 353.821 3.537 0 40 FHAB C[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)Nc1ccc2c(c1)OCO2 21636918 VSXHLCOKTMMQGL-VIFPVBQESA-N 370.352 3.948 0 40 FHAB O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1cnc([C@H]2CCCO2)s1 89768786 JGSCIMKNURQVSM-CQSZACIVSA-N 358.398 3.572 0 40 FHAB O=C(c1ccc(CSc2nnc(-c3ccco3)o2)cc1)N1CCCC1 25697936 LCGXBENKTLEXSN-UHFFFAOYSA-N 355.419 3.858 0 40 FHAB COc1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1O 106756887 IVOHZQBMGAHPOA-ATVHPVEESA-N 371.414 3.516 0 40 FHAB CCCCN(CC(F)(F)F)C(=O)C[C@@H]1c2ccccc2CCN1C(C)=O 59252565 YSKJDPFHCPKHSH-QGZVFWFLSA-N 370.415 3.713 0 40 FHAB Cc1cc(C)cc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)c1 955258 BBDXUYQHYGQWDQ-UHFFFAOYSA-N 354.837 3.777 0 40 FHAB CC(=O)Nc1cccc2c1CCN(Cc1cc(Cl)c3c(c1)OCCO3)C2 54390632 YOLRFOMWALVNBT-UHFFFAOYSA-N 372.852 3.628 0 40 FHAB O=C(c1nn(-c2ccccc2)c2c1CCC2)N(Cc1ccncc1)C1CC1 47631528 NDXFFKOZHWDPMG-UHFFFAOYSA-N 358.445 3.561 0 40 FHAB Cc1c(C(=O)NCC(C)(C)N2CCOCC2)oc2c1ccc1ccccc12 23845394 DBQPVMZZAQAVRP-UHFFFAOYSA-N 366.461 3.735 0 40 FHAB c1ccc([C@H]2c3ccsc3CCN2Cc2nnnn2-c2ccccc2)cc1 23967641 IBJOMJLVOZJGDH-NRFANRHFSA-N 373.485 3.872 0 40 FHAB Cc1cc(SCC(=O)Nc2ccccc2C(=O)O)nc2ccccc12 3269563 BIFSOUIPRXMJCM-UHFFFAOYSA-N 352.415 3.972 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)c2cncc(Br)c2)c1 10025870 KERBWTMNNZFXDG-UHFFFAOYSA-N 365.227 3.894 0 40 FHAB COc1cccc(NC(=O)N(Cc2cccc(O)c2)C2CCC(O)CC2)c1 58248470 ZSIXJRJRIRULJZ-UHFFFAOYSA-N 370.449 3.738 0 40 FHAB CCn1c(SCc2cccc(C(=O)N(C)C)c2)nnc1-c1ccoc1C 58216433 RVXSKRFTEPKDGZ-UHFFFAOYSA-N 370.478 3.861 0 40 FHAB CC(C)[C@H](Sc1nnc(-c2cccs2)o1)C(=O)NCc1cccnc1 58208638 ACCYTEDIRLIJRX-AWEZNQCLSA-N 374.491 3.626 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)CSC1=Nc2ccccc2[C@@H]2CC=NN12 12645182 XXBSQJVWOVZCRW-KMFMINBZSA-N 356.495 3.848 0 40 FHAB O=C1OCC[C@H]1Sc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 3370268 RMNKHEZUACQKKN-OAHLLOKOSA-N 373.384 3.620 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1C 10628848 DQHXOHZEBTYBSA-SFHVURJKSA-N 355.463 3.706 0 40 FHAB CCc1nnc(CN2CC3(CCCC3)c3cc4c(cc3[C@@H]2C)OCCO4)o1 36394277 QUIBZOBQZMJZSD-AWEZNQCLSA-N 369.465 3.792 0 40 FHAB Cc1cc(C(C)(C)C)cc(C)c1CS(=O)(=O)Cc1ccc(C(N)=O)cc1 45296843 QPPHTGBMQZKYIY-UHFFFAOYSA-N 373.518 3.815 0 40 FHAB COc1ccc2nc(N3C(=O)/C(=C/c4ccccc4)N=C3S)sc2c1 2389234 YMLMTOHIXPTGLW-ZROIWOOFSA-N 367.455 3.978 0 40 FHAB O=C(Cc1ccccc1)NCCC(=O)Nc1ccc(Cl)cc1Cl 12777156 YDMRPMIISPIYGM-UHFFFAOYSA-N 351.233 3.681 0 40 FHAB O=C(NCc1ccccc1OC(F)(F)F)N1CCc2sccc2C1 12758092 YHCWAAMLZKRCRR-UHFFFAOYSA-N 356.369 3.915 0 40 FHAB Cc1ccc(NC(=O)[C@@H](Sc2nnc(N)s2)c2ccccc2)cc1 3530956 GBAKBQCTGDXKDG-AWEZNQCLSA-N 356.476 3.901 0 40 FHAB Cc1c[n+](CCCC[n+]2c(C)cc(N)c3ccccc32)c2ccccc2c1N 63772501 DMOAMCDGQIBCRZ-UHFFFAOYSA-P 372.516 3.830 0 40 FHAB O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1cccc(F)c1 4317837 MTMQICQFVSWEMR-UHFFFAOYSA-N 359.360 3.982 0 40 FHAB CCSc1nnc(NC(=O)c2ccc(CN3CCCCC3)cc2)s1 14018644 RVRMJJVWQDCVQB-UHFFFAOYSA-N 362.524 3.888 0 40 FHAB O=C(NCCC(=O)N1CCCCCC1)c1cc2c(ccc3ccccc32)[nH]1 65521541 ZMSKTRMMAMVBCS-UHFFFAOYSA-N 363.461 3.844 0 40 FHAB COc1cc2c(cc1OC)C1=C[C@@H](c3ccc(F)cc3)CC(=O)N1CC2 5321873 BAOWRBFHLLTSHP-OAHLLOKOSA-N 353.393 3.756 0 40 FHAB CN(Cc1cccc(F)c1)C(=O)c1ccc(Cn2nnc3ccccc32)cc1 14138080 VVMVNXBPPMCNQZ-UHFFFAOYSA-N 374.419 3.891 0 40 FHAB COc1cc2ccccc2cc1C(=O)OCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 14361448 ZSBQEEZIFRCJQM-YZVOILCLSA-N 369.461 3.946 0 40 FHAB COc1cccc(-c2nnn(Cc3cc4ccccc4nc3Cl)n2)c1 6651942 BPZSNMDQJYBJEK-UHFFFAOYSA-N 351.797 3.599 0 40 FHAB CCCNC(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1 4978092 QVOJIFRGISLWJK-UHFFFAOYSA-N 361.825 3.602 0 40 FHAB CCOCCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 9355771 GKRQXEJUWDBZTJ-UHFFFAOYSA-N 360.841 3.749 0 40 FHAB COc1ccc(CN(C)Cc2nc(-c3ccccc3C)no2)c(OC)c1 15298318 BDBIVZWUIJGRGZ-UHFFFAOYSA-N 353.422 3.694 0 40 FHAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1O 7112666 FMTUBRMGGATHLC-IBGZPJMESA-N 350.374 3.761 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H](NCc2cccc(Br)c2)C1 67802697 UDNCJGVTDHTJNA-HNNXBMFYSA-N 369.303 3.938 0 40 FHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cccc(N(C)C)c1 15981600 RLZXRCQTYAJKDQ-LZQZEXGQSA-N 361.482 3.913 0 40 FHAB COc1ccccc1CNC(=O)c1ccccc1SC[C@@H]1CCCO1 7921173 GMBMYYALSYOVMU-INIZCTEOSA-N 357.475 3.896 0 40 FHAB CC(=O)NCCc1ccc(C(=O)CSc2ccc3ccccc3n2)s1 16743557 PPKSFBJVWQIIEV-UHFFFAOYSA-N 370.499 3.950 0 40 FHAB O=C(Nc1cccc(-c2cnco2)c1)[C@@H]1CCCN1C(=O)C1CCCCC1 70007178 BHZFJIONAPVVRD-SFHVURJKSA-N 367.449 3.851 0 40 FHAB Cn1cnnc1SCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 9688024 KQNLWQUYRBHWLC-UHFFFAOYSA-N 374.853 3.992 0 40 FHAB O=C1CC[C@H](C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)CN1 84562627 BNLVZZBNOAFOIR-ZDUSSCGKSA-N 362.351 3.837 0 40 FHAB COC[C@@H](N[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1)C1CC1 95432523 WMMLBNKOSFQWRJ-CTNGQTDRSA-N 368.477 3.698 0 40 FHAB Cc1cnc(NC(=O)c2cc(-c3ccc(Br)s3)n[nH]2)s1 95474345 AJONXUYGEGCFRC-UHFFFAOYSA-N 369.269 3.918 0 40 FHAB CC(C)(C)c1ccc(C(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2)cc1 78544165 UYICSMZNXMCSAP-SFHVURJKSA-N 350.462 3.562 0 40 FHAB COC(=O)[C@@H](Sc1nncn1-c1ccccc1)c1ccccc1Cl 73695827 BVLULPZSBAOKQZ-HNNXBMFYSA-N 359.838 3.927 0 40 FHAB CCOc1ccc(S(=O)(=O)NCc2ccc(OC)cc2)c2ccccc12 95954744 QBBDUAGPMUBNBY-UHFFFAOYSA-N 371.458 3.726 0 40 FHAB Cc1nc(COC(=O)[C@H]2CC(=O)N(c3cccc(C(C)C)c3)C2)oc1C 75126180 TTZOURUGTGMKBT-INIZCTEOSA-N 356.422 3.511 0 40 FHAB Cc1ccc(COc2ccc(/C=C/C(=O)N[C@@H](C(=O)O)C(C)C)cc2)cc1 62715057 RFTYALZNDDTQRB-QYFOZDBKSA-N 367.445 3.813 0 40 FHAB CC(C)(C)C[C@@H]1CCCN1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 60877089 ZUXCQUVTICOGMY-ICSRJNTNSA-N 357.542 3.530 0 40 FHAB Cc1ccc(COc2ccc(/C=C3/C(=O)N(C)C(=S)N3C)cc2)cc1 409030966 FXKDJJBQRQWXNB-PDGQHHTCSA-N 352.459 3.604 0 40 FHAB CS(=O)(=O)Nc1cccc(C(=O)N2CCC[C@H]2CC2CCCCC2)c1 60240504 MJQUKUQEGVNSFH-SFHVURJKSA-N 364.511 3.633 0 40 FHAB COc1cccc(NC(=O)c2cc(Br)c(OC)c(OC)c2)c1 33651820 BYMVHTVVQOWFKL-UHFFFAOYSA-N 366.211 3.727 0 40 FHAB COCC(=O)N1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 72349275 UWSQVUHKDYBMDX-MRXNPFEDSA-N 358.869 3.678 0 40 FHAB CC(C)OCc1ccccc1CNC(=O)/C=C/c1ccc2c(c1)OCO2 30370430 FDPVIYULQPAMOU-CSKARUKUSA-N 353.418 3.670 0 40 FHAB CC(C)(F)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 38528709 DYIMQSXNKQSKCE-KRWDZBQOSA-N 357.381 3.726 0 40 FHAB Cc1c(-c2ccccc2)nc(Cl)c2c1C(=N)N=C2NC[C@@H]1CCCO1 66091471 OTORFRUNAWLKMO-ZDUSSCGKSA-N 354.841 3.565 0 40 FHAB CCC[C@H](C)NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 225805499 HJSSGZQGRGUCCO-NSHDSACASA-N 355.360 3.993 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)COc2ccc3c(c2)CCCC3)c1 224973410 ZAFFSTXWVKPTPR-HNNXBMFYSA-N 369.461 3.839 0 40 FHAB Cc1cc(O)nc2cc(C(=O)Nc3ccc4oc(N(C)C)nc4c3)ccc12 567793339 LWVDOHHTIKLIIO-UHFFFAOYSA-N 362.389 3.708 0 40 FHAB COc1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(OC)c1C 222564735 PDQQSLDHZUSJBX-RZAIGCCYSA-N 369.490 3.997 0 40 FHAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 225004508 GHVFBLCCOVTAMJ-HXUWFJFHSA-N 354.450 3.628 0 40 FHAB COc1ccc(-c2noc(CCCC(=O)OCc3cccs3)n2)cc1 40090186 OWCYSRKMIGCFGW-UHFFFAOYSA-N 358.419 3.873 0 40 FHAB CC(=O)c1ccc(CCNC(=O)c2ccc(OC(F)(F)F)cc2)s1 225672246 RBTCQXRXFKNYPR-UHFFFAOYSA-N 357.353 3.822 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCOc1ccccc1Cl 224462793 ZDBFQUYJAVDRGK-QGZVFWFLSA-N 363.841 3.701 0 40 FHAB CCOc1cccc(C(=O)Nc2c(Br)cc(N)cc2OC)c1 227147158 XGYKYTOICDQUSG-UHFFFAOYSA-N 365.227 3.691 0 40 FHAB O=C(c1cc2ccccc2s1)N1Cc2cncn2[C@H](COCC2CC2)C1 247955873 VFPGVVTUDUVSEX-KRWDZBQOSA-N 367.474 3.722 0 40 FHAB COC(=O)[C@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1(C)C 256054605 WZLREPCCSKVIQL-JOCHJYFZSA-N 365.429 3.867 0 40 FHAB CCOC(=O)c1cc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)ccc1Cl 260659282 VCODTTBSGKYZEP-PGUXBMHVSA-N 352.887 3.992 0 40 FHAB COc1ccc2cc(C(=O)NCCc3cn(C)c4ccccc34)n(C)c2c1 604406033 ZBHGAGMJIGMXET-UHFFFAOYSA-N 361.445 3.651 0 40 FHAB biogenic CCOc1ccccc1CCC(=O)N1CCOC[C@H]1c1cccc(F)c1 618774950 PYXCUXSCNCADET-IBGZPJMESA-N 357.425 3.757 0 40 FHAB CC(C)(C)c1ccc(O)c(NC(=O)c2cc(F)cc(N3CCOCC3)c2)c1 622457096 NSXKFZBZNMYWDU-UHFFFAOYSA-N 372.440 3.918 0 40 FHAB Cc1ccccc1OCCN[C@H]1CCC[C@@H](Oc2ccccc2C)[C@@H]1O 585290107 ZXUGGWXFKOTGLL-VLCRHTCISA-N 355.478 3.633 0 40 FHAB CC(=O)N1CC[C@H](NCc2cccc(C)c2C)[C@H](Cc2ccccc2)C1 585283853 CUHPGHWBBPKNAM-PKTZIBPZSA-N 350.506 3.873 0 40 FHAB CCOc1ccc(NC(=O)[C@H]2CCCN(c3ccc(C4CC4)nn3)C2)cc1 823378887 XLORLWWNNPYAGT-INIZCTEOSA-N 366.465 3.608 0 40 FHAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC[C@H](c2cccs2)C1 828388932 SZMFUMPKDDOPPO-NSHDSACASA-N 361.410 3.945 0 40 FHAB CCCn1ncc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)c1C 12221203 ZEJXMTUOPIWHPI-GOSISDBHSA-N 351.454 3.845 0 40 FHAB O=C(OCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1cc2ccccc2o1 12974684 LTMVLFWHRMBYQH-UHFFFAOYSA-N 354.749 3.680 0 40 FHAB COc1ccc2cc(C(=O)N3c4ccc(F)cc4CC[C@@H]3C)c(=O)oc2c1 16779310 BVCZYBHDBHAWQV-LBPRGKRZSA-N 367.376 3.922 0 40 FHAB Cc1cccc(C(=O)N2CC[C@@H](c3nc(Cc4cccs4)no3)C2)c1 19234390 FPTRSYGYSBUXGP-OAHLLOKOSA-N 353.447 3.660 0 40 FHAB Cn1nc(C(=O)Nc2ccc3ncn(C)c3c2)cc1-c1ccc(Cl)cc1 19717185 ISTLXTQNLIWHDH-UHFFFAOYSA-N 365.824 3.880 0 40 FHAB O=C(O)c1cccnc1CN1CCC(CCc2ccc(F)cc2F)CC1 656191548 MYJJEIWCNZGPCY-UHFFFAOYSA-N 360.404 3.903 0 40 FHAB O=C(O)CCC1CCN(C(=O)c2cccc(Oc3nccs3)c2)CC1 679095326 AKBYIQSYIKMOFN-UHFFFAOYSA-N 360.435 3.652 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cccc(N2CCCC2=O)c1 6988051 XZLWEOKNKHMGMA-UHFFFAOYSA-N 374.444 3.868 0 40 FHAB Fc1ccc(F)c(CN2CC[C@H](Oc3ccncc3Br)C2)c1 1888864232 VXJIUEFNTBVKRN-ZDUSSCGKSA-N 369.209 3.776 0 40 FHAB CCc1ccc(N2C(=O)N(CC3CC3)c3ccccc3S2(=O)=O)cc1 1889095532 VBQQSASBOPOUBB-UHFFFAOYSA-N 356.447 3.794 0 40 FHAB CN(C)[C@H](CNC(=O)c1ccc(Br)cc1)c1cccs1 23105570 SHNVTXXZLWZNPB-CYBMUJFWSA-N 353.285 3.543 0 40 FHAB Fc1ccccc1-c1noc(-c2cncnc2N2CCc3ccccc3C2)n1 240122432 VZINICYZFNJXCG-UHFFFAOYSA-N 373.391 3.895 0 40 FHAB O=C(CSc1nccn1-c1ccc(F)cc1)N1CCc2ccccc21 2723628 HRJJHPLXBMQWJB-UHFFFAOYSA-N 353.422 3.693 0 40 FHAB COc1ccc(-n2nc3c(c2NC(=O)Cc2cccs2)CSC3)cc1 4087541 TXSFZHLYALXLBM-UHFFFAOYSA-N 371.487 3.870 0 40 FHAB O=C(CSc1ccc(-c2cccnc2)nn1)NCc1ccc(Cl)cc1 4392140 AFEJXPYHIGRWST-UHFFFAOYSA-N 370.865 3.601 0 40 FHAB Cn1cccc1[C@H](CNC(=O)c1ccc(C(C)(C)C)cc1)N1CCCC1 11845709 MJWBBUMUWCKPOJ-FQEVSTJZSA-N 353.510 3.890 0 40 FHAB CCCCC(=O)Nc1sc(SCC(=O)NC)nc1-c1ccccc1 12442904 AAOWPGROAXFMOT-UHFFFAOYSA-N 363.508 3.777 0 40 FHAB COc1ccc(/C=C/C(=O)N2CCC[C@H](Oc3ccncc3Cl)C2)cc1 575614060 VVWHLRPGFMZXBM-NADMHLTPSA-N 372.852 3.827 0 40 FHAB Cc1cc([C@H](C)NC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)c(C)s1 40074248 RWFBGZYIKOVVCX-YWZLYKJASA-N 372.534 3.926 0 40 FHAB COc1ccc(CC(=O)O[C@@H](C)C(=O)c2cc(C)c(C)cc2C)c(OC)c1 36775552 ZWCUNIUCHSDBDE-INIZCTEOSA-N 370.445 3.986 0 40 FHAB O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1ccc(F)cc1F 2514756 HCSIUCMBAQBGDX-UHFFFAOYSA-N 373.399 3.535 0 40 FHAB COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C3(c2ccccc2)c2ccccc2)cc1 101002357 DLJYYYZKAJVPHB-NHCUHLMSSA-N 369.420 3.801 0 40 FHAB CCOC(=O)c1c(NC(=O)c2cc(C3CC3)on2)sc2c1CCCC2 2497988 BIWJEFHETPCONI-UHFFFAOYSA-N 360.435 3.921 0 40 FHAB CCC(C)(C)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 3551804 XACUBDJBDBEZGU-UHFFFAOYSA-N 374.506 3.739 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 7882170 FYLNXISBCYRFML-HIFRSBDPSA-N 372.852 3.897 0 40 FHAB CCOc1ccc(NC(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccco2)cc1 100423576 VWBHMZCLPVINSK-QZTJIDSGSA-N 369.465 3.995 0 40 FHAB Cc1ccc(OCc2n[nH]c(SCC(=O)c3ccc(F)cc3)n2)cc1 2644402 RKYFVFRAALBKNB-UHFFFAOYSA-N 357.410 3.806 0 40 FHAB NC(=O)c1ccsc1NC(=O)CSc1cc(Cl)ccc1Cl 2635998 XPILFMFUCIHCAH-UHFFFAOYSA-N 361.275 3.885 0 40 FHAB Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccnc2)nc1 2703693 DCGXHZJGPATDIZ-LJQANCHMSA-N 369.380 3.641 0 40 FHAB CCC(=O)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 758698 YJIXRILQTLZHSA-SFHVURJKSA-N 373.250 3.729 0 40 FHAB COC(=O)[C@H]1[C@@H]2C=C[C@H](C2=C(c2ccccc2)c2ccccc2)[C@H]1C(=O)OC 104129613 AZIKIWQXQHLYQD-YHBROIRLSA-N 374.436 3.883 0 40 FHAB [O-][n+]1onc2c(-c3ccc(Cl)cc3)nnc(-c3ccc(Cl)cc3)c21 847562 NMICMWMGWGNBBB-UHFFFAOYSA-N 359.172 3.892 0 40 FHAB COc1ccc(C(=O)OCC(=O)Nc2cccc3ccccc23)cc1OC 959589 BWSCMYOXFADJBJ-UHFFFAOYSA-N 365.385 3.653 0 40 FHAB CCOC(=O)c1cc(C)n(CC(=O)N(C)Cc2ccc(SC)cc2)c1C 23787852 IFENMZUWLFSYTJ-UHFFFAOYSA-N 374.506 3.662 0 40 FHAB C[C@H](Sc1nnc2ccc(C(F)(F)F)cn12)C(=O)NC1CCCCC1 24142962 HCDGHGSAZFOBHB-JTQLQIEISA-N 372.416 3.678 0 40 FHAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN(c2ncccn2)C1 1357791 SJPDDKGWMSWGQM-NSHDSACASA-N 351.237 3.639 0 40 FHAB CCOc1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2OC)cc1OCC 23952460 UVKGMGMZUIUSNL-CQSZACIVSA-N 373.449 3.992 0 40 FHAB Cc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc2ccccc2n1)C(C)C 57676362 BNSDCUXMMXQSQK-FQEVSTJZSA-N 361.445 3.936 0 40 FHAB COC(=O)c1ccccc1Nc1c(-c2cccc(O)c2)nc2cnccn12 35616437 RKQRFBPRMIBKHQ-UHFFFAOYSA-N 360.373 3.632 0 40 FHAB CCc1cccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1 1937527 ADLSOOLZEHNGSM-GFCCVEGCSA-N 372.490 3.552 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)NCCc1ccn(-c2ccccc2)n1 58194992 CMCAJQWTUZLHRR-UHFFFAOYSA-N 358.445 3.645 0 40 FHAB COc1cccc([C@@H]2CCCN2CC(=O)NCc2cccc(Cl)c2)c1 10226381 JLDAPHWLFRNMDO-IBGZPJMESA-N 358.869 3.802 0 40 FHAB Cc1cccc(-c2nnc(SCC(=O)NC3CCCCCC3)n2C)c1 8428489 XQAFYTKSWBTEHJ-UHFFFAOYSA-N 358.511 3.722 0 40 FHAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccccc1C(=O)O 2222014 TXUIOQZDQZJSFB-JXMROGBWSA-N 360.822 3.565 0 40 FHAB Cc1noc(C)c1COC(=O)c1nccnc1-c1nc2ccccc2s1 48262995 IFJOZQFAKTZARD-UHFFFAOYSA-N 366.402 3.715 0 40 FHAB C[C@@H](NC(=O)NC[C@@H](O)c1ccccc1F)c1ccc2c(c1)CCCC2 71917685 TZYLYKPLAZVNFU-JLTOFOAXSA-N 356.441 3.798 0 40 FHAB O=C(c1cc(F)cc2[nH]cnc12)N1CCC(OCc2ccccc2)CC1 48322099 JPEZNSAZIBQGOY-UHFFFAOYSA-N 353.397 3.523 0 40 FHAB COc1ccccc1[C@@H](CNc1ncnc2sc3c(c12)CCC3)N(C)C 3456016 RWGDKHFSBBOWID-OAHLLOKOSA-N 368.506 3.903 0 40 FHAB Cc1cc(NC(=O)CSCc2nc(-c3ccccc3Cl)no2)no1 12929851 GOUVSZYBHHNENC-UHFFFAOYSA-N 364.814 3.558 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H]2Cc3ccccc3S2)c(C)c1 12994415 SLMUGCCNCDRMIW-KSSFIOAISA-N 355.459 3.891 0 40 FHAB CCOc1ccccc1-n1nnnc1SCC(=O)c1ccc(CC)cc1 5020900 BYEHNGORAYRPOM-UHFFFAOYSA-N 368.462 3.598 0 40 FHAB Cc1nnc(Nc2cncc([C@@H]3CCCN3Cc3ccccc3F)n2)s1 72376207 HJUDJUOVAOWZAN-INIZCTEOSA-N 370.457 3.856 0 40 FHAB COc1cccc(C(=O)O[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)c1 8752448 XISCMTDEOMQJRZ-GOSISDBHSA-N 366.373 3.528 0 40 FHAB Cc1nnc(S[C@H](C)C(=O)N(C)Cc2ccccc2)n1-c1ccccc1 6109327 AKFWHXUOQDQQBT-OAHLLOKOSA-N 366.490 3.715 0 40 FHAB COc1ccccc1OCC(=O)Nc1ccnn1Cc1cccc(Cl)c1 14094884 SJHVCGLCMZGYIZ-UHFFFAOYSA-N 371.824 3.611 0 40 FHAB COc1ccc(OC)c(C(=O)CSc2nc3cc(Cl)cnc3[nH]2)c1 5457192 XWQOCMDEYDXQLM-UHFFFAOYSA-N 363.826 3.604 0 40 FHAB C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N(C)CCOc1ccccc1 6559668 RPSPUIUSQPLIKU-ZDUSSCGKSA-N 350.821 3.817 0 40 FHAB Cc1ccc(Nc2nc(Cn3nnc(-c4cccs4)n3)cs2)cc1 6551917 FDEXAZIVKQFGGZ-UHFFFAOYSA-N 354.464 3.958 0 40 FHAB CCS[C@@H](C)c1noc(CSCc2ncn(-c3ccccc3)n2)n1 92335330 XCUGRVXOJLGXHZ-LBPRGKRZSA-N 361.496 3.898 0 40 FHAB O=C(NC(=S)Nc1ccc(Cl)c(C(=O)O)c1)c1cccc(Cl)c1 4603210 UZKMUBMNGXLYKX-UHFFFAOYSA-N 369.229 3.818 0 40 FHAB COc1ccc(C(=O)OCc2csc(COc3ccc(F)cc3)n2)cn1 14676940 MQCMFNUMMYENSH-UHFFFAOYSA-N 374.393 3.622 0 40 FHAB COc1cccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccco4)nc32)c1 8993322 YPXZYPZMQRDUTF-UHFFFAOYSA-N 359.389 3.954 0 40 FHAB COc1cccc(-c2nnc(SCC(=O)Nc3ccccc3C)n2C)c1 4993383 AYOPSEFPBFPRTP-UHFFFAOYSA-N 368.462 3.530 0 40 FHAB CCc1ccc(N2C[C@H](C(=O)Nc3cc(C)ccc3OC)CC2=O)cc1 4976503 FYVNRZOGSNRSPT-MRXNPFEDSA-N 352.434 3.558 0 40 FHAB Cc1ccc2nc(S[C@H]3CC(=O)N(c4ccccc4)C3=O)nc(C)c2c1 5942832 MDPWIFKBMURDOS-KRWDZBQOSA-N 363.442 3.671 0 40 FHAB C[C@@H](NC(=O)c1n[nH]nc1Nc1ccc(Cl)cc1)c1ccc(F)cc1 67283661 CMZAQDGOEOJQHO-SNVBAGLBSA-N 359.792 3.832 0 40 FHAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)C2=Cc3ccccc3OC2)cc1 7640179 BLQZPKLHAYGMDS-CQSZACIVSA-N 352.386 3.676 0 40 FHAB COc1ccc([C@H]2CCCN2CC(=O)N[C@H](C)c2ccccc2)c(OC)c1 7719614 OOTFVZXBRQSGDV-OXQOHEQNSA-N 368.477 3.718 0 40 FHAB COC(=O)[C@H]1Cc2ccccc2N1C(=O)c1cc2c(F)cccc2s1 68561719 KZCBZLXSVOYESC-OAHLLOKOSA-N 355.390 3.785 0 40 FHAB CN(C)C[C@@H](NC(=O)/C=C/c1ccc(Br)cc1)c1ccccc1 7817681 COEWOJDQUVUTPO-LVMGUKCRSA-N 373.294 3.881 0 40 FHAB COc1cccc(NC(=O)CN(C)C(=O)c2cc3c(s2)CCCCC3)c1 8031263 CYCQLOLDFREOMF-UHFFFAOYSA-N 372.490 3.736 0 40 FHAB CC(C)(C)c1n[nH]cc1CNCCc1nc(-c2ccc(Cl)cc2)no1 68980471 VMEXIRVSYRPVTE-UHFFFAOYSA-N 359.861 3.743 0 40 FHAB CN(Cc1cccc(Cl)c1)C(=O)CCCn1c(=O)oc2ccccc21 21247950 SKNSGYXXCKWMNZ-UHFFFAOYSA-N 358.825 3.687 0 40 FHAB Cc1cc(C)c(S(=O)(=O)NCc2cccs2)cc1Br 8132940 VPVPJCBEEKSCNZ-UHFFFAOYSA-N 360.298 3.606 0 40 FHAB Oc1ccccc1-c1nn(CN2CCCC2)c(=S)n1-c1ccccc1 9423926 QUXAOECKWQLMFW-UHFFFAOYSA-N 352.463 3.829 0 40 FHAB CC[C@H](C)[C@@H](CO)NC(=O)c1ccc2nc(-n3c(C)ccc3C)sc2c1 9420556 VYXMDMSVLQJDCU-YVEFUNNKSA-N 371.506 3.841 0 40 FHAB COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1cccc(C)c1 9646294 ZWPFDHNHYYFCLG-UHFFFAOYSA-N 361.444 3.797 0 40 FHAB CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1cccc(NC(C)=O)c1 9533385 DYYAHCJKOIQNCL-LBPRGKRZSA-N 372.446 3.551 0 40 FHAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C[C@H]2CC=CCC2)CC1 97032695 YKHCHROYKLOODG-ROUUACIJSA-N 352.482 3.772 0 40 FHAB CCOc1ccc(CC(=O)OCC(=O)Nc2cc(F)ccc2Cl)cc1 72333722 BDDQSCTWMSHCDD-UHFFFAOYSA-N 365.788 3.602 0 40 FHAB CSC[C@H](C)N(C)c1cc(C(C)C)nc(CN(C)[C@H](C)CSC)n1 84622455 SFZDKWXQLFPNND-CABCVRRESA-N 370.632 3.971 0 40 FHAB CC1(C)NC(=O)N(CCCC(=O)Oc2ccc(Cl)c3ccccc23)C1=O 95377704 LLUWQEWGSGINKF-UHFFFAOYSA-N 374.824 3.509 0 40 FHAB COc1cccc(OC)c1C(=O)N[C@H](C)c1ccc(-n2cccc2)cc1 28221050 ZGDYDGSDIGVVQM-OAHLLOKOSA-N 350.418 3.986 0 40 FHAB Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1ccc(O)c(C(F)(F)F)c1 79076331 QDAKOSDKSRPAMN-VIFPVBQESA-N 355.360 3.579 0 40 FHAB COc1cccc(-c2nnc(CN3[C@@H](c4ccccc4)COC[C@H]3C)o2)c1 95452654 LQVAVWNJGRBFDO-DNVCBOLYSA-N 365.433 3.707 0 40 FHAB O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc2ccccc2c1 408624056 ATEKZEFXTPBCRQ-UHFFFAOYSA-N 364.426 3.738 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)NC[C@H](c2ccco2)N2CCCCC2)cc1 22024971 QSXPFVVNUOPVTA-PKOBYXMFSA-N 355.482 3.732 0 40 FHAB CCc1c(C)noc1-c1cnc(-c2ccccn2)nc1-c1cnc(C)cn1 72343185 VQXAFNHHXGADBX-UHFFFAOYSA-N 358.405 3.830 0 40 FHAB CC(=O)c1ccc(N2CCN(CC(=O)c3ccc(C)cc3C)CC2)cc1 67206216 IAJHXNXEXDKFPY-UHFFFAOYSA-N 350.462 3.511 0 40 FHAB COc1ccccc1-c1cc(C(=O)NCc2nc3ccccc3s2)no1 32830167 LMUKHGFWKYURTD-UHFFFAOYSA-N 365.414 3.890 0 40 FHAB Cc1ccn2c(CN3CCC[C@H](C(=O)N4CCCCCC4)C3)c(C)nc2c1 36752862 CPHVYDLJFXEDFA-IBGZPJMESA-N 368.525 3.566 0 40 FHAB CC(C)NC(=O)N1C[C@H](C2CN(C(=O)c3ccsc3)C2)c2ccccc21 306130103 IWFHQOGQUBROTI-QGZVFWFLSA-N 369.490 3.542 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)c1C 219312173 ZDPCIBOMGMPNRZ-AWEZNQCLSA-N 371.462 3.841 0 40 FHAB CC1(C)C[C@@H](NC(=O)c2cccc(N3CCCC3=O)c2)c2ccccc2O1 121944466 PGBJUEGLIQEJHI-GOSISDBHSA-N 364.445 3.846 0 40 FHAB CCOC(=O)c1c(NC(=O)CN2CCc3ccccc3C2)sc(C)c1C 37079092 QJHZRPZGWQZULD-UHFFFAOYSA-N 372.490 3.538 0 40 FHAB Cc1cc(OCC(=O)NCCCN2CCCc3ccccc32)ccc1Cl 218942499 FKRMUXUDCOBETP-UHFFFAOYSA-N 372.896 3.986 0 40 FHAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1cccc(Br)c1 31236129 FNLSFHPDBUXCCC-AWEZNQCLSA-N 359.267 3.705 0 40 FHAB COc1cc(C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)ccc1Cl 152416353 RYHLLRAOJXUZQW-UHFFFAOYSA-N 356.813 3.798 0 40 FHAB COc1ccc(-c2noc([C@H]3CCN(Cc4cccc(F)c4)C3)n2)cc1 72369930 LCRHIQNXMYUPGT-INIZCTEOSA-N 353.397 3.874 0 40 FHAB CCC1CCC(NC(=O)NCCc2nccn2Cc2ccccc2)CC1 79955139 IGNGETNKYACLRZ-UHFFFAOYSA-N 354.498 3.742 0 40 FHAB O=C(NC[C@@H]1CCCc2ccccc21)c1nc(N2CCCC2)ncc1Cl 40141850 QZGAHQVEUQXTRG-HNNXBMFYSA-N 370.884 3.580 0 40 FHAB CCn1cc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)ccc1=O 47181310 SPAQAIOBHUXJFM-UHFFFAOYSA-N 373.865 3.826 0 40 FHAB COc1ccc(CSCC(=O)NCCOc2cccc(C)c2C)cc1 223900822 ZRGSLPFXPSNUOD-UHFFFAOYSA-N 359.491 3.740 0 40 FHAB COc1cccc(O[C@@H](C)C(=O)NCCOc2ccc3ccccc3c2)c1 223621784 UJLOVAOVCYHCMI-INIZCTEOSA-N 365.429 3.811 0 40 FHAB COc1ccc(NC(=O)CCc2nc(-c3cccc(C)c3)no2)cc1OC 41184488 STGWSFSJNOFYJN-UHFFFAOYSA-N 367.405 3.634 0 40 FHAB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1 223884142 IVYRRSBYEOYPGT-RTBURBONSA-N 363.490 3.653 0 40 FHAB Cc1cccc(CN(C(=O)Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)c1 225515570 WZHXFMNWBSURFX-IBGZPJMESA-N 366.505 3.788 0 40 FHAB O=C(CNc1ccccc1Cl)NC[C@H](O)c1ccc2ccccc2c1 81959144 YZUQWFPXLYFPLC-IBGZPJMESA-N 354.837 3.755 0 40 FHAB CCN(c1ccc(C(=O)NC2CCCC2)cc1)S(=O)(=O)c1ccccc1 224352536 FWPFXUHPGODNFP-UHFFFAOYSA-N 372.490 3.574 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1C 225056418 DKYOKERYWJWWGY-ZDUSSCGKSA-N 356.447 3.623 0 40 FHAB O=S(=O)(c1ccc(Cl)cc1)N1CCc2cc(Br)ccc21 49334333 WSPISFXZYIXHGA-UHFFFAOYSA-N 372.671 3.854 0 40 FHAB CC[C@H]1CN(C)CCN1C(=O)c1cccc(Oc2ccc(Cl)cc2)n1 585086006 VHYIQEFRUKWWCX-HNNXBMFYSA-N 359.857 3.694 0 40 FHAB Cc1nnc([C@@H]2COCCN2C(=O)c2ccc(C3CCCCC3)cc2)o1 275400438 QASHNUROXODCOY-SFHVURJKSA-N 355.438 3.639 0 40 FHAB O=C1S/C(=C/c2ccc(O)cc2)C(=O)N1C(=O)c1ccc(Cl)cc1 670416562 NNGKDLHHTKCIQY-NTEUORMPSA-N 359.790 3.922 0 40 FHAB Cc1ccc(C(=O)C2CCN(Cc3ccccc3-n3cncn3)CC2)c(C)c1 678175517 NRKIHJPOJGMESN-UHFFFAOYSA-N 374.488 3.979 0 40 FHAB C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1cnns1 585113682 KWLSWJXEKBAVHP-HNNXBMFYSA-N 371.384 3.674 0 40 FHAB FC(F)(F)c1cc(N2CC[C@H]3[C@@H](C2)CN3CC2CCCCC2)ncn1 585107925 FWTAMBMLVMHZNM-GJZGRUSLSA-N 354.420 3.586 0 40 FHAB c1cc2c(cc1CN1CCC3(CC1)OCC[C@H]3CCOCC1CC1)OCO2 585104713 LGQFZWGUOGADNZ-LJQANCHMSA-N 373.493 3.603 0 40 FHAB Cc1cc(Cl)ccc1NC(=O)Cn1cnc2sc3c(c2c1=O)CCC3 5319692 QZKTZKCZCGXEPY-UHFFFAOYSA-N 373.865 3.547 0 40 FHAB CCOc1ccc(NC(=O)CSc2nc(Cc3cccs3)n[nH]2)cc1 11600374 GMKSHZCIXIJTEL-UHFFFAOYSA-N 374.491 3.587 0 40 FHAB C[C@H](O)CC(C)(C)NC(=O)Cn1c(-c2ccc(F)cc2)cc2cccnc21 12144020 CCMZBLHIRVFVMQ-AWEZNQCLSA-N 369.440 3.508 0 40 FHAB CCC[C@H](NC(=O)[C@]1(C)CC(=O)N=C2C=C(C)C=CN21)c1cccs1 12200187 MMDNPXAGESMVBY-LIRRHRJNSA-N 357.479 3.569 0 40 FHAB O=C1CSc2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc2N1 12623183 LHABZKHILLYWQB-UHFFFAOYSA-N 366.364 3.680 0 40 FHAB COc1ccc(NC(=O)CSc2nc3cc(C)ccc3[nH]2)cc1OC 12963898 WADSLTSCFRMBMS-UHFFFAOYSA-N 357.435 3.619 0 40 FHAB Cc1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)cc1 16112209 IKEUXFBRYBVFJQ-ZHACJKMWSA-N 364.445 3.591 0 40 FHAB CCCCc1ncc(CNCC2(c3ccccc3F)CCOCC2)cn1 19502383 SQNOBGBDYNRYDN-UHFFFAOYSA-N 357.473 3.796 0 40 FHAB Cc1ncsc1-c1nnc([C@H]2CCCN2C(=O)CCc2ccccc2)o1 19562905 NCXVOINDFVQIMN-OAHLLOKOSA-N 368.462 3.798 0 40 FHAB Cc1cccc(-c2nc(C)c(C(=O)N3CCOC4(CCCCC4)C3)[nH]2)c1 548076446 LJUQERYALPSJMZ-UHFFFAOYSA-N 353.466 3.869 0 40 FHAB Cc1cccc(C(=O)N2CCC[C@@](O)(COc3ccc(C)c(C)c3)C2)c1 2037912876 AVGIBEWKKCRGHA-QFIPXVFZSA-N 353.462 3.658 0 40 FHAB CC1(C)Oc2c(O)cccc2[C@H]2OC[C@@]3(C[C@@H]21)CN(C1CCCC1)CCO3 2037976911 PJPPMNMLPUWOQX-LRXVAGHRSA-N 373.493 3.654 0 40 FHAB Cc1csc(C(=O)N2CCC[C@@]3(CCCN(c4nccc(C)n4)C3)C2)c1 2056224229 MLMKBUXXJAUQKI-HXUWFJFHSA-N 370.522 3.678 0 40 FHAB O=C(c1ccccc1C(F)(F)F)N1CCN=C1SCc1cccnc1 4061182 HDOFSJWWUOJQLJ-UHFFFAOYSA-N 365.380 3.846 0 40 FHAB COc1cc(C)c(C)cc1S(=O)(=O)NCC12CC3CC(CC(C3)C1)C2 4580648 VVKJPQSFGOTADK-UHFFFAOYSA-N 363.523 3.807 0 40 FHAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(S)s1 8299808 RINHFCOEPSUDLR-UHFFFAOYSA-N 352.828 3.696 0 40 FHAB O=C1NC2=C(C(=O)N(CCC3=CCCCC3)C2)[C@H](c2ccc(Cl)cc2)N1 11665607 XSHMHNRSLPPJCW-SFHVURJKSA-N 371.868 3.681 0 40 FHAB O=C(NC[C@H](O)c1csc2ccccc12)c1cc(-c2ccco2)on1 585147989 BZLWZQFKBVKEHH-AWEZNQCLSA-N 354.387 3.613 0 40 FHAB Cc1nccn1Cc1cccc(CNC(=O)c2ccc(OC(F)F)cc2)c1 24754707 MLIOWTOTVFMQOQ-UHFFFAOYSA-N 371.387 3.771 0 40 FHAB Cc1ccc(CS(=O)(=O)CCCC(=O)Nc2c(C)cccc2C)cc1 40070207 GHRGHMSZXITCGX-UHFFFAOYSA-N 359.491 3.946 0 40 FHAB COc1cc(NC(=O)NCC2(c3ccccc3)CC2)cc(OC)c1OC 40096211 YZKUGPYXGMKRPI-UHFFFAOYSA-N 356.422 3.566 0 40 FHAB C[C@@H]1C[C@@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(Cl)nc2)o1 30368743 LTBTVJXOGJMMAQ-ABAIWWIYSA-N 366.870 3.805 0 40 FHAB CCC(=O)Nc1ccc([C@@H](C)NC(=O)c2oc3c(c2C)C(=O)CCC3)cc1 40133882 HKVTVYSPWGVTHE-CYBMUJFWSA-N 368.433 3.947 0 40 FHAB COc1ccc([C@@H](CNC(=O)Cc2ccc3ccccc3c2)N(C)C)cc1 7987133 XSLCXLFZWSRXND-JOCHJYFZSA-N 362.473 3.810 0 40 FHAB CC(C)CCNC(=O)Cn1c(NCc2ccccc2)nc2ccccc21 7985744 ZWEWUMXANRZSOT-UHFFFAOYSA-N 350.466 3.811 0 40 FHAB C[C@H](NC(=O)[C@@H](C)N(C)CCOc1cccc(Cl)c1)c1ccccc1 16421808 RAHNBVHFJRJVJM-JKSUJKDBSA-N 360.885 3.917 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)CN(C)[C@@H](C)c2cccs2)c1 16435207 NRNDIIDAOMAEFD-KBPBESRZSA-N 362.495 3.636 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2c(C)cccc23)cc1 892292 TZYWPPCHIHLEDS-UHFFFAOYSA-N 363.446 3.854 0 40 FHAB COc1ccc(-c2csc(N(CC(C)C)C(=O)CCC(=O)O)n2)cc1 4169352 XLPLGIMMCGLQON-UHFFFAOYSA-N 362.451 3.673 0 40 FHAB CCc1cc2cc3c(cc2nc1SCC(=O)NC1CCCC1)OCO3 4849522 QDRFWKWCNDLQLE-UHFFFAOYSA-N 358.463 3.677 0 40 FHAB CCN(CC)CCOC(=O)[C@](O)(c1ccccc1)c1cc(C)c(C)c(C)c1 6382274 JFYUMVGJTVQVPI-QHCPKHFHSA-N 369.505 3.733 0 40 FHAB CCN(CC)C(=O)CSc1nnc(CCc2ccccc2)n1CC(C)C 6948793 UIUVQRNULSKYFU-UHFFFAOYSA-N 374.554 3.680 0 40 FHAB CC(=O)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 7928650 BQTGYJJYCRTZCS-HNNXBMFYSA-N 371.820 3.810 0 40 FHAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@H]1CCCc2ccccc21 7986122 GXAPMWHBCOIGER-SXYIGIQMSA-N 366.505 3.513 0 40 FHAB CNc1c(NC(=O)c2ccc(Br)cc2)c(=O)oc2ccccc12 101095191 CZVRZQDLXASDQU-UHFFFAOYSA-N 373.206 3.850 0 40 FHAB CCc1ccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc(C(=O)OC)cc23)cc1 101085213 SYZNFFAQXRIHPL-UTKZUKDTSA-N 366.417 3.805 0 40 FHAB O=C1C[C@@H](Nc2ccc(F)c(F)c2)C(=O)N1c1cccc(C(F)(F)F)c1 102295805 CKSREIRIBGAUFY-CQSZACIVSA-N 370.277 3.728 0 40 FHAB CSc1ccc(/C=C/C(=O)N2CCN(Cc3ccccc3)CC2)cc1 21548887 RYOWXBGIDPRJTM-FMIVXFBMSA-N 352.503 3.766 0 40 FHAB CN(Cc1ccccc1F)C(=O)CCc1nc(-c2ccc(F)cc2)no1 8026733 DOYOSEWFVOGAEC-UHFFFAOYSA-N 357.360 3.606 0 40 FHAB COc1ccc(CNC(=O)NCCSc2ccc(C)cc2)cc1OC 32862418 QMPDKBVJROIQAG-UHFFFAOYSA-N 360.479 3.604 0 40 FHAB COc1ccc(-n2nnc(C(=O)Nc3ccc(C)cc3)c2C)cc1Cl 2699045 YDAKAWPOUSEVRY-UHFFFAOYSA-N 356.813 3.798 0 40 FHAB C[C@@H]1C(=O)N(CN(C2CCCC2)C2CC2)C(=O)N1c1ccc(Cl)cc1 32923205 JOYRTJKDGIHDSE-CYBMUJFWSA-N 361.873 3.862 0 40 FHAB CCC(=O)Nc1ccc(C)c(NC(=O)c2nc(SC)ncc2Cl)c1 32931499 VHPNOIQQLBRXFW-UHFFFAOYSA-N 364.858 3.761 0 40 FHAB COc1ccc([C@H]2C3=C(O)C[C@H](c4ccco4)CC3=Nc3ncnn32)cc1 102676153 UGRPTGZPIGUTPB-YJYMSZOUSA-N 362.389 3.945 0 40 FHAB Cc1cc(C)c(C(=O)CSc2nnc(C3CCCCC3)n2N)cc1C 2639948 ZZVPEVRXNKDJKN-UHFFFAOYSA-N 358.511 3.940 0 40 FHAB COc1ccc(N2C(=O)C[C@@H](Nc3cccc(C(C)C)c3)C2=O)cc1OC 103022336 FGQRIYDTBODALG-QGZVFWFLSA-N 368.433 3.571 0 40 FHAB CC(=O)OC12C[C@@H]3C[C@H](CC(CCN4C(=O)c5ccccc5C4=O)(C3)C1)C2 100072032 NQCUMZMSTLZBJM-KILAXVPQSA-N 367.445 3.575 0 40 FHAB CCOC(=O)c1cnn(-c2nc3c(C)cccc3s2)c1C(F)(F)F 632703 BIIOHSYEMBEXKO-UHFFFAOYSA-N 355.341 3.986 0 40 FHAB C[C@H](c1nnc(-c2ccc(F)cc2)o1)N1CCN(Cc2ccccc2)CC1 22200905 UXXJIUVTKSOZRP-MRXNPFEDSA-N 366.440 3.755 0 40 FHAB C[C@@H]1C[C@@H](NC(=O)c2cc3c(=O)n4ccccc4nc3s2)CC(C)(C)C1 2722846 FTCVHWZLBAPKBJ-CHWSQXEVSA-N 369.490 3.854 0 40 FHAB CCOc1cc(CNCc2ccccc2C)ccc1O[C@H](C)C(=O)N(C)C 22782223 ZBRVBNPUKXMEJP-QGZVFWFLSA-N 370.493 3.539 0 40 FHAB COc1cccc(NC(=O)c2ccn(COc3cc(C)ccc3C)n2)c1 28229326 YXVFRLIXGPLNMH-UHFFFAOYSA-N 351.406 3.797 0 40 FHAB CCCC[C@H]1[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)[C@H]2ON1c1ccccc1 101069249 UKOUKZBOOUCPFU-UFYCRDLUSA-N 364.445 3.864 0 40 FHAB Cc1cccc(NC(=O)Cc2noc3ccccc23)c1C(=O)N1CCCC1 46909423 NNCQAGDXDBZWDD-UHFFFAOYSA-N 363.417 3.553 0 40 FHAB Cc1noc([C@@H]2CCCN(C(=O)C3(c4ccc(F)cc4)CCCC3)C2)n1 54662083 DRAVVFSJQSYQRD-OAHLLOKOSA-N 357.429 3.735 0 40 FHAB CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 59227357 XBSWRTVFLNGNSH-INIZCTEOSA-N 352.434 3.694 0 40 FHAB Cc1ccc2c(c1)[C@](O)(CC(=O)c1ccc(Cl)cc1Cl)C(=O)N2 1320323 LMRRUBSCEKRCHY-QGZVFWFLSA-N 350.201 3.715 0 40 FHAB Cc1nc2ccc(NC(=O)NCc3cccnc3-n3cccn3)cc2s1 43375556 NURZCTOSFXYVGI-UHFFFAOYSA-N 364.434 3.507 0 40 FHAB COc1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)c(OC)c1OC 1511313 SWLDNCGBVSRNQH-UVTDQMKNSA-N 373.792 3.710 0 40 FHAB COc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2)cc1OC 9042637 GIERLGAVVJKBKC-UHFFFAOYSA-N 361.405 3.885 0 40 FHAB COc1ccc(NC(=O)CN(C)Cc2ccccc2N2CCCCC2)cc1 12554994 YXFOJBRXJIJBQJ-UHFFFAOYSA-N 367.493 3.756 0 40 FHAB CCOC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1 27025704 WZKFCNVDIWSKTP-FOWTUZBSSA-N 374.234 3.783 0 40 FHAB O=C(COC(=O)c1cccc(Cl)c1)Nc1ccc(OC(F)F)cc1 3271942 BNBPRTUQFOUWRC-UHFFFAOYSA-N 355.724 3.737 0 40 FHAB Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)CCc1c(C)noc1C 58217748 YIDQQEUKDXXWNH-UHFFFAOYSA-N 374.391 3.694 0 40 FHAB CN(CC(=O)NC(C)(C)C)Cc1nc(-c2ccc(Cl)s2)cs1 12684559 ZCOLPBPXUNLLRO-UHFFFAOYSA-N 357.932 3.872 0 40 FHAB O=S(=O)(c1ccc(Cl)nc1Cl)N1CCCCc2ccccc21 58378256 LOGWXYHHUHXYHG-UHFFFAOYSA-N 357.262 3.920 0 40 FHAB Cc1cc(NC(=O)[C@@H](OC(=O)c2sccc2C)c2ccccc2)no1 12684460 XSOPJOHCBNQJPT-HNNXBMFYSA-N 356.403 3.890 0 40 FHAB CC(C)(C)c1nc(CSc2nc3ccccc3c(=O)n2C2CC2)no1 28014922 SRKSUPYMIVYFFQ-UHFFFAOYSA-N 356.451 3.704 0 40 FHAB O=C(Nc1ccccc1NC(=O)N1CCCC1)C1=Cc2ccccc2OC1 36393017 HBQQCSJORYLQQL-UHFFFAOYSA-N 363.417 3.729 0 40 FHAB Oc1nc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)nc2ccsc12 36386213 MHMZQRDOPCSUAY-AWEZNQCLSA-N 369.446 3.505 0 40 FHAB Cc1ccc(CNC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1 10729651 DIEQPOQMGMURCE-UHFFFAOYSA-N 352.217 3.775 0 40 FHAB Cc1cc(NC(=O)[C@H](C)Nc2ccc3c(c2)OC2(CCCCC2)O3)no1 28368205 KGULYFKPAVZEGM-ZDUSSCGKSA-N 357.410 3.854 0 40 FHAB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1ccccc1C 2325955 LTAFZZFRSTYWBR-LJQANCHMSA-N 360.417 3.576 0 40 FHAB O=C([C@H]1C[C@H]1c1ccc(Cl)cc1)N1CCN(Cc2cccs2)CC1 28631867 FTCGBFPGIMPIGD-ROUUACIJSA-N 360.910 3.849 0 40 FHAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CN(C)[C@@H](C)C2CC2)c1 48287734 XBVRVWDZSKMZDI-INIZCTEOSA-N 365.477 3.916 0 40 FHAB C[C@@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccco1 48340908 CRXJHPWGIPONNC-OAHLLOKOSA-N 369.442 3.745 0 40 FHAB Cc1sc2ncnc(OCC(=O)Nc3ccc4c(c3)CCC4)c2c1C 3405145 NFFNREOLEBQACL-UHFFFAOYSA-N 353.447 3.814 0 40 FHAB Cc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c(=O)[nH]1 12984284 ZGSQNQUZSDOYBB-VIFPVBQESA-N 368.264 3.504 0 40 FHAB O=C(N[C@H]1CCc2ccccc21)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 12998624 MKAXWWINVJWXFG-NQIIRXRSSA-N 370.452 3.996 0 40 FHAB CCNc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1 13039703 IUAJFBAQXDTCAP-UHFFFAOYSA-N 365.524 3.807 0 40 FHAB CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3[C@H]2c2cccs2)cc1 5027031 LWAIDDOZKJKBEG-QGZVFWFLSA-N 367.430 3.706 0 40 FHAB COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCC4)c(OC)c1 18195087 WPLYFRXNOUMURM-UHFFFAOYSA-N 369.446 3.637 0 40 FHAB O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@]12CCN(C[C@@H]1CC=CCC1)C2 306130922 JSRXKNRKPKDAGD-HHXXYDBFSA-N 352.469 3.749 0 40 FHAB COc1cc(C(=O)N(C)Cc2c(F)cccc2Cl)cc2c1OCCO2 23529182 MZVHPRYBRMIRQX-UHFFFAOYSA-N 365.788 3.531 0 40 FHAB COc1cc(C)c(Cn2cnc3sc4c(c3c2=O)CCCC4)cc1OC 5318639 LENYRQGLWBNGDD-UHFFFAOYSA-N 370.474 3.711 0 40 FHAB O=C(Cc1noc2ccccc12)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 14237675 MGQHREHJGLJUIF-QGZVFWFLSA-N 364.401 3.505 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1nonc1-c1ccc(OC)cc1 5422274 FNNCPKKHDNGDAO-OAHLLOKOSA-N 371.368 3.680 0 40 FHAB CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccc(N)cc1 4675881 KBMRNJZGGWGNQC-UHFFFAOYSA-N 367.478 3.586 0 40 FHAB O=C(c1cccc(Cl)c1)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F 4676639 NBFRMWDNROHTAR-MRXNPFEDSA-N 368.742 3.841 0 40 FHAB COc1ccccc1CN1C(=S)NC2(CCCCC2)[C@@H]2CCCC[C@]21O 5515097 LUHWLWQMBLLLGE-RXVVDRJESA-N 374.550 3.967 0 40 FHAB CC(C)(C)NC(=O)CNc1ncnc2cc(-c3ccc(F)cc3)sc12 8756081 XXSBGOBKJCSZFY-UHFFFAOYSA-N 358.442 3.824 0 40 FHAB COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(C)c(C)c2)C(C)C)cc1 6778405 JKCWOVIPPRWFBX-IBGZPJMESA-N 354.450 3.705 0 40 FHAB Cc1cc(NC(=O)/C=C/c2ccccc2)n(-c2nc3ccccc3n2C)n1 4864816 VJSOUMGOLYDWMF-OUKQBFOZSA-N 357.417 3.719 0 40 FHAB COc1ccc(Nc2nc3ccc(Cl)cc3n3nnnc23)cc1Cl 6823095 JVDKAANWFXIYME-UHFFFAOYSA-N 361.192 3.732 0 40 FHAB CCc1sc2nc(SCCO)n(Cc3ccc(C)cc3)c(=O)c2c1C 7038080 DJTPNPNHVCEXOD-UHFFFAOYSA-N 374.531 3.770 0 40 FHAB CNC(=O)c1ccc(CN(C)C(=O)c2ccc(OCCC(C)C)cc2)cc1 15634388 PYDFROKBKBXSCY-UHFFFAOYSA-N 368.477 3.743 0 40 FHAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1cccc(Cl)c1F 15761000 BLSCVBGHGFWWSL-UHFFFAOYSA-N 371.755 3.574 0 40 FHAB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1cccc(C(F)(F)F)c1 7552448 OAYYZRUFPCHMMK-OAHLLOKOSA-N 368.355 3.771 0 40 FHAB COc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1 7545388 BJXXDXQBMDEKOM-SWLSCSKDSA-N 374.820 3.714 0 40 FHAB CCc1ccc(N2C[C@H](C(=O)NC[C@@H](C)c3ccccc3)CC2=O)cc1 408707994 MWWJTQLFJNQNNW-VQIMIIECSA-N 350.462 3.522 0 40 FHAB O=C(Cn1cnc2sccc2c1=O)N(Cc1ccco1)C1=CCCCC1 9218922 IHIZDDPGUWPOPA-UHFFFAOYSA-N 369.446 3.538 0 40 FHAB CCCCC(=O)Nc1nc(-c2ccc3c(c2)N(C)C(=O)[C@H](C)O3)cs1 19820153 PZIXJUDZZLSAAT-NSHDSACASA-N 359.451 3.683 0 40 FHAB C[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)c2ccccc21 72098110 WCSJIRVXQRJBLK-WFASDCNBSA-N 370.371 3.690 0 40 FHAB CC(C)(C)c1ccc(C2(C(=O)N[C@@H]3CCCCNC3=O)CCCCC2)cc1 84284301 WLSRACHLTSOHHD-LJQANCHMSA-N 370.537 3.971 0 40 FHAB CCN(C(C)=O)c1nc(CN2CC=C(c3ccc(O)cc3)CC2)cs1 73104447 HGXXDUCZVYRNIX-UHFFFAOYSA-N 357.479 3.511 0 40 FHAB Cc1nc(-c2ccc(NC(=O)c3cc(-c4ccco4)on3)cc2Cl)n[nH]1 95987168 OZQLWJVTMPWDHK-UHFFFAOYSA-N 369.768 3.934 0 40 FHAB CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)Nc2cccc(C(C)C)c2)C1 95999228 IBLUWFBGRSMANZ-INIZCTEOSA-N 369.469 3.903 0 40 FHAB CCN(CC)C(=O)CSc1nnc(Cc2cccc3ccccc23)n1C 408560100 APEUWBLICBOXKD-UHFFFAOYSA-N 368.506 3.520 0 40 FHAB CC(C)CN1C(=O)/C(=C\c2ccc(OCC(=O)O)cc2)c2ccccc21 409112921 DRKJVBLSQXFWDW-WQRHYEAKSA-N 351.402 3.693 0 40 FHAB CCSc1nc2ccc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)cc2s1 408748501 AZQRWURIPUJMIL-MISXLKTNSA-N 374.487 3.870 0 40 FHAB Cc1cccc(NC(=O)N(CC(=O)O)Cc2ccc(C(F)(F)F)cc2)n1 555771790 REMXVZLLWPDHPU-UHFFFAOYSA-N 367.327 3.528 0 40 FHAB CCc1ccccc1O[C@H](C)C(=O)N1CCN(c2cccc(C)c2C)CC1 38754761 YKCBNYDEWVDCRW-LJQANCHMSA-N 366.505 3.982 0 40 FHAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN=C1Cc1ccccc1 32602328 NAAJSGWJYFQIFZ-UHFFFAOYSA-N 369.273 3.639 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)CCn1ccc3ccccc31)CC2 31035270 GYLLRNFOEVQHPV-UHFFFAOYSA-N 364.445 3.634 0 40 FHAB biogenic COc1ccc(Oc2cc(C)nc([C@@H]3CCCN(C(=O)C4CC4)C3)n2)cc1 72362031 AUFMSHCHMURUBD-MRXNPFEDSA-N 367.449 3.702 0 40 FHAB O=C(c1ccccn1)N1CCC[C@H]1c1cncc(Oc2ccc(F)cc2)n1 72383864 CAMCBGKIUIHKFF-SFHVURJKSA-N 364.380 3.780 0 40 FHAB CC[C@H]1CCCCN1CCCNC(=O)C1(c2ccccc2)CCOCC1 222723655 DLKASNGMTPHLJJ-FQEVSTJZSA-N 358.526 3.506 0 40 FHAB O=C(NCCc1ccc2c(c1)OCO2)Nc1ccc(C(F)(F)F)cc1 40097874 GGAISBBHUBDXFZ-UHFFFAOYSA-N 352.312 3.798 0 40 FHAB O=C(Nc1ccc2sncc2c1)c1cn2c3c(cccc3c1=O)CCC2 225859847 VWVMMEVUBKBRCM-UHFFFAOYSA-N 361.426 3.810 0 40 FHAB C[C@@H](NC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccc(F)cc1 40103296 FEEVRZIAGMCUQA-SNVBAGLBSA-N 370.833 3.765 0 40 FHAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccccc1 225103185 PRKYPRPNBGMTES-OAQYLSRUSA-N 353.462 3.918 0 40 FHAB COc1cccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)c1 225237132 ISNJGFYZVZUGJV-CPNJWEJPSA-N 365.458 3.770 0 40 FHAB CSc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(C)=O 223175103 OXSTZIAAMJBPMQ-UHFFFAOYSA-N 370.883 3.821 0 40 FHAB CCOc1cc2c(cc1[C@@H]1SCC(O)=Nc3[nH]nc(C)c31)O[C@@H](C)C2 49548121 CWKSQLJJHCGSAP-XYZCENFISA-N 359.451 3.864 0 40 FHAB COc1ccc(-c2noc(CNC(=S)Nc3cc(C)ccc3C)n2)cc1 225823354 REUGEOPTADGETK-UHFFFAOYSA-N 368.462 3.849 0 40 FHAB Cn1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 224449131 JGVKQJUROZBIDN-ROUUACIJSA-N 352.438 3.736 0 40 FHAB CCCNC(=O)c1cc2c(c3ccccc3n2C(C)C)n1C(=O)N(C)C 96146411 WMSJLSIWPCAJTR-UHFFFAOYSA-N 354.454 3.846 0 40 FHAB Cc1cccc(NC(=O)N2CC[C@]3(CC(=O)N(c4cccc(C)c4)C3)C2)c1 96238533 GLIHYABCUFUAFY-QFIPXVFZSA-N 363.461 3.964 0 40 FHAB CCn1nc(C)c(-c2cc(C(=O)Nc3cccc4ncccc34)n[nH]2)c1C 95479867 RUHZPYSBKQEOBV-UHFFFAOYSA-N 360.421 3.710 0 40 FHAB CCN(C(=O)c1cccc(Nc2cnn(C)c2)c1)[C@@H]1CCOC(C)(C)C1 585085619 JLBDFNRDQXIXGQ-GOSISDBHSA-N 356.470 3.583 0 40 FHAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@@H]3C[C@H]3C)cc2n1 253591185 KLUFIWQOKOZSTA-QKCSRTOESA-N 366.387 3.630 0 40 FHAB Cc1cccc(Nc2cc(C3CCN(Cc4cncn4C)CC3)ccn2)n1 257308464 TWUSXAXOCCMHIQ-UHFFFAOYSA-N 362.481 3.642 0 40 FHAB CCCN(C(=O)Cc1cccc(OC)c1)c1nnc(-c2cccnc2)s1 257197602 DVOWRQATEJLRHE-UHFFFAOYSA-N 368.462 3.594 0 40 FHAB COc1ccc(C2(C(=O)N3CCC(Cc4ccncc4)CC3)CC2)cc1 257222937 DVFNMTCWXOHLDP-UHFFFAOYSA-N 350.462 3.603 0 40 FHAB Cc1noc(C)c1CN1[C@H]2CC[C@H]1CC(n1cc(Br)cn1)C2 1776009617 SJUWULOQGHDLIL-KBPBESRZSA-N 365.275 3.619 0 40 FHAB COc1ccc2cc(C(=O)N3CCC[C@@H]3CNc3cccc(C)n3)[nH]c2c1 1318644629 MOPKDCNJINLXCD-MRXNPFEDSA-N 364.449 3.597 0 40 FHAB C[C@@H]1CN(C(=O)c2nc3ccc(Br)cn3c2F)c2ccccc21 1639546122 ZGJTXLDZPIEXDD-SNVBAGLBSA-N 374.213 4.000 0 40 FHAB O=C(O)[C@@H]1CN(C(=O)c2cscc2C(F)(F)F)C[C@@H]1c1ccccc1 621538429 PHDXATFLZKHIRO-VXGBXAGGSA-N 369.364 3.707 0 40 FHAB CC(C)CCc1ccc(NC(=O)Nc2ccn(C3CCOCC3)n2)nc1 667210180 SOJUSVZGTWASAM-UHFFFAOYSA-N 357.458 3.862 0 40 FHAB CC(C)N1CCC(NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)CC1 43006417 UUIHFSBMIOWREW-LBPRGKRZSA-N 359.297 3.750 0 40 FHAB O=C(c1cc2cc(F)ccc2[nH]1)N1CC[C@@]2(CCc3ccccc3O2)C1 685893455 IAQLBKWKMGOQGP-NRFANRHFSA-N 350.393 3.917 0 40 FHAB CCOC(=O)c1cnc(NCCSc2c(C)[nH]c3ccccc23)nc1C 1640543487 NSSRDCDOGDLTIV-UHFFFAOYSA-N 370.478 3.956 0 40 FHAB Cc1cc(C)cc(C(=O)N(c2cc(C)cc(C)c2)[C@@H]2C=CS(=O)(=O)C2)c1 5082388 SDPMMTVUWNSYMA-LJQANCHMSA-N 369.486 3.878 0 40 FHAB C[C@H]1CCC[C@@H](NC[C@@H](O)COCCOc2ccc(Cl)cc2)[C@@H]1C 12549376 OSISLWGQAJWPLM-BUIAKZPTSA-N 355.906 3.511 0 40 FHAB COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)c2cc3ccccc3o2)c1 13155761 FDIVHEHGBSQDQW-LBPRGKRZSA-N 369.373 3.634 0 40 FHAB COc1ccc2oc(C(=O)N3CCC(N4CCC(C)CC4)CC3)cc2c1 19496838 UWOQHKJVEDZNRW-UHFFFAOYSA-N 356.466 3.778 0 40 FHAB CN(C)C[C@H]1CCCN(C(=O)CCn2c3c(c4ccccc42)CCCC3)C1 19582044 XGVOBPDXHJLEEH-GOSISDBHSA-N 367.537 3.710 0 40 FHAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NC1CCCCC1 205610434 LPCVUPOASZIKQL-RGEXLXHISA-N 352.434 3.808 0 40 FHAB Cc1nc2ccc(C(=O)NC[C@@H](c3ccc(F)cc3)N3CCCC3)cc2[nH]1 12143774 IGSRQCRFCPHUGH-FQEVSTJZSA-N 366.440 3.577 0 40 FHAB O=C(CC1CCCCC1)NCCCn1nc(-c2ccc(F)cc2)ccc1=O 13797140 GAXIHYFEATXZNM-UHFFFAOYSA-N 371.456 3.526 0 40 FHAB COc1cccc(CN2CCCC[C@H]3CN(C(=O)c4cccs4)C[C@H]32)c1 19565267 PTCABZNEQJBLDI-PKOBYXMFSA-N 370.518 3.883 0 40 FHAB C[C@@H](c1nc2ccccc2s1)N(C)C[C@H](O)COc1ccc(F)cc1 36033828 SMTLLCZTTANBQR-ZFWWWQNUSA-N 360.454 3.868 0 40 FHAB O=C(/C=C/c1cc(Br)ccc1F)Nc1ccc2c(c1)OCO2 3461975 QVYBJZMAYKUZPS-LZCJLJQNSA-N 364.170 3.969 0 40 FHAB Cc1sc2nc(CSc3nc4ccccc4n3C)[nH]c(=O)c2c1C 36872192 BBDCRTXYWGTHNM-UHFFFAOYSA-N 356.476 3.780 0 40 FHAB C[C@H](NS(=O)(=O)c1cccc(F)c1)c1cccc(Br)c1 28048038 ORNXKWRPBUPWLZ-JTQLQIEISA-N 358.232 3.628 0 40 FHAB Cc1cc(S(=O)(=O)N[C@H](c2cccs2)C2CCOCC2)ccc1F 1565523865 ZDAXSWKKTGUJIV-KRWDZBQOSA-N 369.483 3.642 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)c1 4224005 FPJRTUNZCGUYAI-UHFFFAOYSA-N 368.414 3.972 0 40 FHAB CSc1ccccc1-c1nnc(NC(=O)CCOc2ccccc2)o1 4585564 UTEXAXDNPXZLTC-UHFFFAOYSA-N 355.419 3.866 0 40 FHAB Cc1ccc(NC(=O)c2c[nH]c3c(c(C)nn3-c3ccccc3)c2=O)c(C)c1 7424061 RZZQNKRZBRWQOR-UHFFFAOYSA-N 372.428 3.891 0 40 FHAB CCc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(C)cc4)no3)n2)cc1 16844804 DJUXAJZMKCDRCD-UHFFFAOYSA-N 372.428 3.879 0 40 FHAB O=C(Cc1cc(-c2ccc3c(c2)OCO3)on1)NCc1ccccc1Cl 23127312 PWEUZZWGUPTAHL-UHFFFAOYSA-N 370.792 3.583 0 40 FHAB Cc1nc2sc([C@@H](c3ccccc3F)N3CCC[C@@H](C)C3)c(O)n2n1 102878974 UIWGSIXDYDVEPO-IAQYHMDHSA-N 360.458 3.765 0 40 FHAB COc1ccc(CN(C)C(=O)NCCSCc2ccccc2F)cc1 40071165 ZKCFCMLNOWEOEM-UHFFFAOYSA-N 362.470 3.909 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2c(C)nn(C(C)(C)C)c2C)c1 40144204 SRBDZCVCTANYNL-GFCCVEGCSA-N 359.470 3.763 0 40 FHAB Cc1nc(N2CCC(C(=O)O)CC2)c2cc(-c3ccccc3)sc2n1 20320857 VSEGNRRTKBSELK-UHFFFAOYSA-N 353.447 3.968 0 40 FHAB CCSc1nc(N[C@H](CC)CO)c2c3c(sc2n1)COC(C)(C)C3 2450320 ZKSQWTPZNHPGRF-SNVBAGLBSA-N 367.540 3.837 0 40 FHAB Cc1nc(-c2ccccc2)[nH]c(=O)c1CCC(=O)NCCC1=CCCCC1 28961963 PZBPISKFCXYCNV-UHFFFAOYSA-N 365.477 3.685 0 40 FHAB COc1ccccc1CC(=O)N(C)c1nnc(-c2cccc(C)c2)s1 1345396 DUKQYPQJYNKYAP-UHFFFAOYSA-N 353.447 3.728 0 40 FHAB CCC(CC)C(=O)N1CCC[C@H](c2nc(-c3cccc(OC)c3)no2)C1 1360416 QFFPJXCUYBEJAV-INIZCTEOSA-N 357.454 3.887 0 40 FHAB CCOC(=O)c1cccc(C(=O)c2cccc(CN3CCSCC3)c2)c1 2515278 VTGQXLUYKVHLAQ-UHFFFAOYSA-N 369.486 3.643 0 40 FHAB O=C1C[C@H](c2c[nH]c3ccccc23)C(=O)N1c1cccc(Br)c1 101104335 HQQRNTKIGUGJCH-CQSZACIVSA-N 369.218 3.978 0 40 FHAB Cc1ccc(C)c(N2CCN(C(=O)c3cc4sccc4n3C)CC2)c1 4093119 TZVAFPYJMDXQMG-UHFFFAOYSA-N 353.491 3.819 0 40 FHAB COc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(OCC(C)C)cc2)c1 4332770 GWQBHLCETPZDAS-OAHLLOKOSA-N 371.433 3.914 0 40 FHAB C[C@H]1CN1C(=O)Nc1ccc(Cc2ccc(NC(=O)N3C[C@@H]3C)cc2)cc1 4722653 HBAVTFLDZROSFF-OITHXGAXSA-N 364.449 3.749 0 40 FHAB COCCNc1c(-c2ccc(OC)c(OC)c2)nc2ccc(Cl)cn12 4848479 OJVAKJSTMVSPSU-UHFFFAOYSA-N 361.829 3.730 0 40 FHAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)NCC1CCCCC1 4935822 YTGUDTLALCMOEM-UHFFFAOYSA-N 370.522 3.933 0 40 FHAB CC(C)N(CCNC(=O)c1cc(Br)cn1C(C)C)C(C)C 36859491 UZZFKSYTTNZGNM-UHFFFAOYSA-N 358.324 3.680 0 40 FHAB COCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)C(C)C 6665265 BJMWMMLPOFXSMN-UHFFFAOYSA-N 354.454 3.889 0 40 FHAB Cc1ccc(-c2nnc3sc(NC(=O)c4cccc(F)c4)nn23)cc1 6818140 KUTHGOHORXJYEJ-UHFFFAOYSA-N 353.382 3.553 0 40 FHAB C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)C(=O)c1ccccc1 7881592 RVYPYFASNPKTQC-UKRRQHHQSA-N 371.820 3.508 0 40 FHAB O=C(NC1CCC(O)CC1)c1cccnc1Sc1ccccc1Cl 7980227 NFMURUSYFAOUHZ-UHFFFAOYSA-N 362.882 3.920 0 40 FHAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc3oc(-c4ccccc4C)nc3c2)C1 57326894 RLLMYRIEOWYPDI-CQSZACIVSA-N 364.401 3.719 0 40 FHAB C[C@@H]1CN(c2ccc(NC(=O)CCc3ccccc3O)cc2F)C[C@@H](C)O1 46069382 TXUGEFHHJNIQBP-HUUCEWRRSA-N 372.440 3.716 0 40 FHAB CC[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 32895626 HEIZXCWPBBKPKQ-CQSZACIVSA-N 352.500 3.544 0 40 FHAB Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2ccc3c(c2)NC(=O)CO3)c1 32899276 DGELSNPSKSPESB-CYBMUJFWSA-N 356.447 3.754 0 40 FHAB CCCc1cc(=O)oc2cc(OCC(=O)NCc3ccc(C)cc3)ccc12 2651476 ORXMKYYJBFCGIE-UHFFFAOYSA-N 365.429 3.749 0 40 FHAB CCc1ccc(-c2noc(CCC(=O)N[C@@H](C)c3cccnc3)n2)cc1 22693082 CALVJLLVBZCGAT-AWEZNQCLSA-N 350.422 3.504 0 40 FHAB C[C@@H](NC(=O)c1ncn(C2=C=C=C(Cl)C=C2)n1)c1ccc(Cl)cc1 103984621 DHDWJHTZAVUBTG-LLVKDONJSA-N 359.216 3.710 0 40 FHAB CN(Cc1ccccc1F)Cc1cc2c(cc1Br)OCCO2 22745706 HGAAFCNSSGQHIO-UHFFFAOYSA-N 366.230 3.991 0 40 FHAB Cc1nc2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2s1 803407 RUMUMJFHQIXTIL-UHFFFAOYSA-N 353.447 3.694 0 40 FHAB CN1c2ccccc2C(=O)N(Cc2ccco2)[C@@H]1c1cn2ccccc2n1 58018165 MWAJMMNGELADPM-HXUWFJFHSA-N 358.401 3.718 0 40 FHAB Cc1nc2ccccc2n1CCCNC(=O)c1ccc(-c2cnco2)cc1 54180213 STZOVUFKKGTABB-UHFFFAOYSA-N 360.417 3.820 0 40 FHAB CC(C)Oc1ccc(-c2nonc2NC(=O)COc2ccc(F)cc2)cc1 12111526 PICZKCUWVCXXOH-UHFFFAOYSA-N 371.368 3.680 0 40 FHAB Cc1nc(NC(=O)Cc2cccs2)sc1-c1nccn1C(F)F 24032208 KYPXINCLFRPRFP-UHFFFAOYSA-N 354.407 3.953 0 40 FHAB CC(=O)Nc1cc(NCC(=O)Nc2cccc(C(F)(F)F)c2)ccc1F 24361958 ZKVYSAKHTNQVCY-UHFFFAOYSA-N 369.318 3.854 0 40 FHAB COc1ccc(OCCCC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 12435644 FGDMODRVGXEHEB-UHFFFAOYSA-N 368.433 3.841 0 40 FHAB CCOc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1OCC 23746397 ASMBKAVTNMPKSI-UHFFFAOYSA-N 363.841 3.946 0 40 FHAB O=C1CCc2cc(NC(=O)c3cc(-c4cccc(Cl)c4)[nH]n3)ccc2N1 25127007 PCFHAYFLWXQLIG-UHFFFAOYSA-N 366.808 3.867 0 40 FHAB O=C(COC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O)Nc1ccc2ccccc2c1 103137830 AUASNSDSJRTCAR-IRXDYDNUSA-N 365.429 3.717 0 40 FHAB O=S(=O)(c1cccc(Cl)c1)N(Cc1cccnc1)Cc1ccco1 12527755 YQQLHZMQIPBQMQ-UHFFFAOYSA-N 362.838 3.719 0 40 FHAB COc1cccc(N2C(=O)S/C(=C\c3ccc4nccnc4c3)C2=O)c1 54361157 JTZJPFIMJLEJHO-YVLHZVERSA-N 363.398 3.879 0 40 FHAB CCc1ccccc1NC(=O)COc1cc(C)nc(N2CCC(C)CC2)n1 44169117 ABUZFEQDSPTBPD-UHFFFAOYSA-N 368.481 3.601 0 40 FHAB Cc1ccc(-c2nc(CCNS(=O)(=O)Cc3ccccc3)cs2)cc1 58167697 QFBROFXCYARLLQ-UHFFFAOYSA-N 372.515 3.781 0 40 FHAB O=C(Nc1cc(-c2ccc(Cl)cc2)no1)[C@@H]1COc2ccccc2O1 27662955 LRZYJMFTUGXRDJ-INIZCTEOSA-N 356.765 3.774 0 40 FHAB COc1ccc(-c2nonc2NC(=O)COc2ccccc2Cl)cc1C 27664335 VLACEBZXICHGMP-UHFFFAOYSA-N 373.796 3.725 0 40 FHAB CCOc1ccc(NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1 7915556 CKOIMBTXWUVPGZ-IBGZPJMESA-N 370.449 3.975 0 40 FHAB CCOc1ccc(CNC(=O)c2csc(Br)c2)cc1OC 36390649 WXLYSAIGJPDFJK-UHFFFAOYSA-N 370.268 3.848 0 40 FHAB C[C@@H]1CN(C(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)CCO1 12749466 DYTSTSWLVCYGIS-CYBMUJFWSA-N 371.824 3.647 0 40 FHAB COc1ccc2[nH]cc(CCNC(=O)c3cc4c(OC)cccc4[nH]3)c2c1 12897494 LWYMMZUMYHTYBP-UHFFFAOYSA-N 363.417 3.639 0 40 FHAB biogenic Cc1cc(Cl)cc(C)c1OCC(=O)Nc1ccc(C(=O)NC2CC2)cc1 12915997 SEKRABASVGMRGW-UHFFFAOYSA-N 372.852 3.867 0 40 FHAB COc1ccc([C@H](C)NS(=O)(=O)c2cc(C(C)C)ccc2OC)cc1 20030031 KFMSODUVPNUKRK-AWEZNQCLSA-N 363.479 3.867 0 40 FHAB COc1ccc(CC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 8327851 YLMMFGQFMGRBPD-UHFFFAOYSA-N 367.445 3.938 0 40 FHAB O=C(CSc1nccn2nc(-c3ccccc3)cc12)NCc1ccccc1 17179162 WKFWKEFXIDDWAN-UHFFFAOYSA-N 374.469 3.805 0 40 FHAB C[C@@H](NC(=O)CSc1ccc2c(c1)CCC2)c1ccc2c(c1)OCO2 14085591 PMRKPPZVZLRINO-CYBMUJFWSA-N 355.459 3.874 0 40 FHAB CCOc1cc(CO)ccc1OCCOc1cccc(Br)c1 14186423 PVZSHYUYBXEXEV-UHFFFAOYSA-N 367.239 3.798 0 40 FHAB O=C(Nc1nccs1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 4540043 YUDBLNWFCZRZLZ-MRXNPFEDSA-N 350.399 3.850 0 40 FHAB O=C(NC1CCCCC1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 6545537 TVZUQQVCWUZTMQ-UHFFFAOYSA-N 361.445 3.507 0 40 FHAB COc1ccc([C@H]2C[C@H](c3ccc(C)cc3)n3ncnc3N2C(C)=O)cc1 4816554 MEBILJNXTXZQFS-WOJBJXKFSA-N 362.433 3.682 0 40 FHAB CC(C)Cc1cc(-c2nn3c(-c4ccc(F)c(F)c4)nnc3s2)n(C)n1 71287580 KNSYDNFEUBYWEA-UHFFFAOYSA-N 374.420 3.730 0 40 FHAB COc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 18699922 OSCADYJZSKBVCK-LBPRGKRZSA-N 357.360 3.650 0 40 FHAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccc(N2CCCC2=O)cc1 7363210 IGVVWQVRODPFIH-QGZVFWFLSA-N 369.490 3.651 0 40 FHAB C[C@@H](NC(=O)CCSc1ccccc1F)c1ccc(-n2cncn2)cc1 9691586 FQZAFLSLYUYGAA-CQSZACIVSA-N 370.453 3.766 0 40 FHAB COC(=O)C[C@H](c1ccc(F)c(Cl)c1)c1c(O)ccc2nsnc12 96222962 NKQQJASJWDITEX-SECBINFHSA-N 366.801 3.884 0 40 FHAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1nc(-c2cccs2)no1 78579696 CJRNASDQJOEPLE-CQSZACIVSA-N 357.435 3.580 0 40 FHAB Cc1cccc(NC(=O)NCC(=O)Nc2ccc3oc(C4CC4)nc3c2)c1 25302087 HIBMPQGFEHXDHX-UHFFFAOYSA-N 364.405 3.774 0 40 FHAB CCC[C@@H]1CN(C(=O)c2ccc(Cl)nc2)CCN1Cc1ccccc1 95463175 FVRXMESLSUEWDB-GOSISDBHSA-N 357.885 3.862 0 40 FHAB Cc1nccc(C(=O)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)n1 79812663 NYJOCPVCXLWSKT-IBGZPJMESA-N 357.841 3.549 0 40 FHAB CC(=O)Nc1ccc(CC(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)cc1 75106052 PKQKSNDIAIYPCY-YEJXKQKISA-N 354.425 3.766 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 27970449 MLXZJXMFYNBQAU-UHFFFAOYSA-N 362.433 3.759 0 40 FHAB O=c1c(-c2cccnc2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2cccs2)C1 20503257 ZJMKGOQLIVQGIR-DOTOQJQBSA-N 363.486 3.591 0 40 FHAB biogenic,in-vitro O=C(NCCc1cn2ccccc2n1)c1cc(-c2cccc(Cl)c2)on1 30038001 ZYTLMTBPEXJAFT-UHFFFAOYSA-N 366.808 3.615 0 40 FHAB CSc1ccc(S(=O)(=O)NCCSCc2ccccc2C)cc1 408546245 RTEUSKASJWHGCY-UHFFFAOYSA-N 367.561 3.929 0 40 FHAB c1ccc(CN2CCC[C@H]2c2nc(-c3ccc(-n4ccnc4)nc3)no2)cc1 35425723 CJAPLNIZVVYTIM-SFHVURJKSA-N 372.432 3.654 0 40 FHAB biogenic,in-vitro CCOC(=O)c1ccc(N2C(=O)[C@H](C)[C@@H](Cc3cccc(C)c3)C2=O)cc1 71405254 AAVCOXQQMAGJPK-DNVCBOLYSA-N 365.429 3.540 0 40 FHAB CSc1nnc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)s1 39989070 RNFMHPJLOINHNF-SNVBAGLBSA-N 351.497 3.964 0 40 FHAB CCCCC(=O)Nc1ccccc1OCc1cc(=O)n2cc(C)ccc2n1 33068115 JOONYCWALDSLPF-UHFFFAOYSA-N 365.433 3.711 0 40 FHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 222651134 PXLMDRLZUQICQK-AWEZNQCLSA-N 352.434 3.930 0 40 FHAB O=C(Nc1nn2c(-c3cccc(F)c3)nnc2s1)c1ccc(Cl)cc1 41076538 ALMVGXRJFSNWAH-UHFFFAOYSA-N 373.800 3.898 0 40 FHAB COc1cc(OC)cc(C(=O)NCCOc2ccccc2C(C)(C)C)c1 223670170 HVVXASIWACBWFC-UHFFFAOYSA-N 357.450 3.810 0 40 FHAB CCOc1ccc(S(=O)(=O)N(C)Cc2ccccc2F)cc1Cl 223008436 RYTKLHSRJOWVFI-UHFFFAOYSA-N 357.834 3.699 0 40 FHAB Cc1nc(NC(=S)NCc2ccc(F)cc2)ccc1Br 223946152 OOJKHEJOZNIYEG-UHFFFAOYSA-N 354.248 3.778 0 40 FHAB CCc1ccc([C@H](C)NC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)cc1 225210305 UVUYOKFSYXRQJJ-HNNXBMFYSA-N 374.506 3.526 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H]1CNCc1ccc(Br)cc1 83264811 SQEYYOTXYIGUHR-HNNXBMFYSA-N 369.303 3.938 0 40 FHAB COc1ccc(C)cc1-c1csc(NC(=O)c2cc(C(C)=O)cn2C)n1 96979021 XQFYQESXLDEQPT-UHFFFAOYSA-N 369.446 3.921 0 40 FHAB CCN(CCNC(=O)CC1CCC2(CCNCC2)CC1)c1cccc(C)c1 96156881 CCQBNRXWKRQHPH-UHFFFAOYSA-N 371.569 3.888 0 40 FHAB Cc1cccc(CN2CCC3(CC2)C[C@@H](OCC2CCOCC2)CO3)c1 96106695 RTVDHDBIACQCAB-OAQYLSRUSA-N 359.510 3.562 0 40 FHAB O=C(Cn1cnc2c(sc3cccc(Cl)c32)c1=O)Nc1ccccc1 253471634 DVHRDQHXQGYOLN-UHFFFAOYSA-N 369.833 3.903 0 40 FHAB COC(=O)[C@@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1(C)C 256054606 WZLREPCCSKVIQL-QFIPXVFZSA-N 365.429 3.867 0 40 FHAB O=C(O)c1ccccc1-c1ccccc1C(=O)NCC[C@H]1CCCOC1 630229835 ZQCLHUUETHLAEZ-OAHLLOKOSA-N 353.418 3.598 0 40 FHAB O=C(N[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1)c1noc2c1CCCC2 1775987008 SBSFAZXZSFAURG-GFCCVEGCSA-N 369.852 3.975 0 40 FHAB CSc1ccc([C@@H](O)CNC(=O)c2ccc(Br)cc2)cc1 96361575 KTTNEEOKDVJWDK-HNNXBMFYSA-N 366.280 3.634 0 40 FHAB COc1ccc(OC)c(NC(=O)CN(C2CC2)[C@H]2CCc3ccccc32)c1 67712312 KXPJRFQBRGVNMT-FQEVSTJZSA-N 366.461 3.794 0 40 FHAB Cc1ccc(NC(=S)NC(=O)COc2ccc(C)cc2Cl)c(O)c1 5613877 YNEXJBPMIGVLPK-UHFFFAOYSA-N 364.854 3.554 0 40 FHAB Cc1cc(-c2cnc(NCCc3c(C)noc3C)nc2C(C)(C)C)on1 12186897 IMJJJYDWLJJCAQ-UHFFFAOYSA-N 355.442 3.997 0 40 FHAB Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1C 12293490 TVUCETDCRVUAOQ-RTWAWAEBSA-N 367.489 3.688 0 40 FHAB Cc1ccc2c(c1)/C(=C1/SC(=O)N(Cc3ccccc3)C1=O)C(=O)N2 15220483 GEWZHQJNPXUOIU-NXVVXOECSA-N 350.399 3.554 0 40 FHAB COc1cc(C)c(NC(=O)/C=C/c2cnn(-c3ccccc3)c2)cc1OC 15857346 FAECVSXBWMCHLT-MDZDMXLPSA-N 363.417 3.850 0 40 FHAB CCc1nc2n(n1)[C@@H](c1ccc(OC)c(OC)c1)C=C(c1ccco1)N2 17073014 HNGOFZKCMQEAKW-CQSZACIVSA-N 352.394 3.507 0 40 FHAB CCOc1ccccc1C(=O)N1CCC[C@H]1c1n[nH]cc1-c1ccncc1 19520068 IPCCUVUYKGCMFL-SFHVURJKSA-N 362.433 3.848 0 40 FHAB COc1ccc(CN2[C@H]3CC[C@@H]2c2cccnc2C3)cc1Cn1cccn1 19559433 NTCMAOWXTSQAFB-GHTZIAJQSA-N 360.461 3.597 0 40 FHAB Cc1nc2cc(NC(=O)CCN3CCOCC3)ccc2n1C1CCCCC1 19717464 MUBQSRZKDLPJTE-UHFFFAOYSA-N 370.497 3.511 0 40 FHAB COc1ccc(-c2[nH]ncc2CNC(=O)C(C)(C)c2cccc(F)c2)cc1 19718523 HZXABEZEHPICIJ-UHFFFAOYSA-N 367.424 3.818 0 40 FHAB CCCN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O 6323998 UWBVOGODIGDGQJ-LFIBNONCSA-N 371.418 3.891 0 40 FHAB O=C(c1nc2ccccc2s1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 220749368 OYAXXXRQIPSFOM-LBPRGKRZSA-N 368.462 3.652 0 40 FHAB O=C(Nc1ccc(Cl)cc1)N1CCC(N(c2ccncn2)C2CC2)CC1 1888876213 JHVGORPAQSKVAC-UHFFFAOYSA-N 371.872 3.795 0 40 FHAB Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2cc(F)ccc2F)n1 31535248 FMAMDDSAWIILOU-UHFFFAOYSA-N 363.389 3.568 0 40 FHAB Nc1ccc(NC(=O)COc2ccc(Cl)cc2)c(Br)c1 37274400 GYLZXPOXEIHLNN-UHFFFAOYSA-N 355.619 3.702 0 40 FHAB CN1CCC(N2C(=O)NCCCc3ccccc3[C@H]2c2ccccc2)CC1 2037978180 FYWRGJRFQAVGDY-JOCHJYFZSA-N 363.505 3.828 0 40 FHAB CN(C(=O)C(C)(C)C)[C@H]1CCCN(c2cnc3cc(Cl)ccc3n2)C1 2087143974 FOKPJCXLPVLQDU-AWEZNQCLSA-N 360.889 3.757 0 40 FHAB CCOc1ccc([C@@]2(O)CN(c3ccccc3C)C3=[N+]2CCCC3)cc1 2966433 ITYFREBULDKZJN-QFIPXVFZSA-N 351.470 3.654 0 40 FHAB CCOc1ccc(N2C(=O)c3[nH]nc(C)c3[C@H]2c2ccc(OC)cc2)cc1 4625155 ATEPRVLYLGFYQE-HXUWFJFHSA-N 363.417 3.875 0 40 FHAB CSc1cccc2sc(N3CCN(C(=O)c4ccccc4)CC3)nc12 7599350 QKXOPSZYYFXXCJ-UHFFFAOYSA-N 369.515 3.981 0 40 FHAB O=C(Nc1ccccc1)Nc1nc(C(=O)NCc2cccs2)cs1 9317192 YYUIAUCGURFQNJ-UHFFFAOYSA-N 358.448 3.779 0 40 FHAB O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)c1cc2ccccc2[nH]1 1775968895 OOFSMDUGXCFSGY-MRXNPFEDSA-N 352.415 3.953 0 40 FHAB CO[C@@H](CNS(=O)(=O)c1ccc(C)cc1C)c1ccccc1Cl 206852392 XSBFDEHKPUNDJY-INIZCTEOSA-N 353.871 3.623 0 40 FHAB Cc1ccc(S(=O)(=O)NCCc2csc(-c3ccccc3)n2)cc1 4166869 UFHVAVULUFHTBH-UHFFFAOYSA-N 358.488 3.640 0 40 FHAB Cc1nc2sc([C@@H](c3ccccc3F)N3CCC[C@H](C)C3)c(O)n2n1 36066071 UIWGSIXDYDVEPO-XHDPSFHLSA-N 360.458 3.765 0 40 FHAB CN(Cc1nc2ccccc2s1)C(=O)NCCCN(C)c1ccccc1 40068979 WWAVGRJMCDHSTD-UHFFFAOYSA-N 368.506 3.964 0 40 FHAB Cc1c(Cl)cn2c(=O)cc(CNCCc3ccccc3)nc2c1Cl 40161216 MKFIKXPUCSMEQX-UHFFFAOYSA-N 362.260 3.642 0 40 FHAB O=C(NCCc1ccccc1F)C1CCN(Cc2ccccc2F)CC1 40120650 GTRICVYXVFDVKS-UHFFFAOYSA-N 358.432 3.536 0 40 FHAB C[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)NC1CCCC1 28869736 CPEDOXHHPCIVJF-JTQLQIEISA-N 350.875 3.665 0 40 FHAB C[C@H]1CCN(C(=O)C2CCN(C(=O)c3ccoc3)CC2)c2ccccc21 31780896 LIBZBLZCMYFWKY-HNNXBMFYSA-N 352.434 3.672 0 40 FHAB Cc1ccc2cc(C)c3nnc(SCC(=O)NCc4ccco4)n3c2c1 903054 MHELRWQUGIJWJF-UHFFFAOYSA-N 366.446 3.501 0 40 FHAB COc1ccccc1[C@@H]1CC(c2ccccc2)=NN1C(=O)CCCC(=O)O 907714 XNAGMJUKODEKFT-SFHVURJKSA-N 366.417 3.628 0 40 FHAB COc1ccc(C)cc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 981497 HCIMITGMHDLJHN-UHFFFAOYSA-N 358.463 3.556 0 40 FHAB COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)c2ccccc12 2503337 BIDFHSDDERSIPM-UHFFFAOYSA-N 353.443 3.595 0 40 FHAB Clc1ccc(C(Nc2nncs2)Nc2nncs2)cc1Cl 1590931 NWNXUYYMHQONCR-UHFFFAOYSA-N 359.267 3.919 0 40 FHAB O=C(Oc1cccc(OC(=O)c2ccccc2O)c1)c1ccccc1O 1641011 PSOPTDGCFPIZIK-UHFFFAOYSA-N 350.326 3.536 0 40 FHAB Cn1cc(C(=O)O)c(C(=O)Nc2cccc3cc(-c4ccccc4)oc23)n1 20614943 PFLGNTPSNZTMHR-UHFFFAOYSA-N 361.357 3.784 0 40 FHAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CCCCC1 3542394 FIRHAKMUVIPHCF-UHFFFAOYSA-N 368.462 3.632 0 40 FHAB Cc1cc(C(=O)[C@@H]2CC(O)=Nc3c2c(C)nn3-c2ncccn2)c(C)s1 20723748 RQLNKVXBGDQPTG-CYBMUJFWSA-N 367.434 3.607 0 40 FHAB COC[C@@H](C)NC(=O)c1cc2ccccc2cc1OCc1c(C)noc1C 60387759 RFXPJCIHIOCXLM-CYBMUJFWSA-N 368.433 3.788 0 40 FHAB COc1cccc(NC(=O)c2cc(OC)c(Br)c(OC)c2)c1 7070042 ODTUPIQFPVIHJH-UHFFFAOYSA-N 366.211 3.727 0 40 FHAB CN(c1ccc(N2CCCC2)cc1)S(=O)(=O)Cc1ccc(Cl)cc1 10113774 STYFIQPIKRXADW-UHFFFAOYSA-N 364.898 3.906 0 40 FHAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c1 8115665 ODXCAMHCPFDIEN-UHFFFAOYSA-N 362.234 3.811 0 40 FHAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CCCC(=O)O)c1C 8434584 OJPDWJRFMGONBW-UHFFFAOYSA-N 354.406 3.749 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1ccccc1Cl 10684197 FLBFFHATWQYBKO-ZDUSSCGKSA-N 360.841 3.886 0 40 FHAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NCC1CCCCC1 33026146 UABHFSFPUUXARO-UHFFFAOYSA-N 350.462 3.780 0 40 FHAB O=C(Oc1ccc(C2SCCS2)cc1)c1cnn(-c2ccccc2)n1 60919285 ZETZVHCJJFMDIR-UHFFFAOYSA-N 369.471 3.965 0 40 FHAB COc1cccc(NC(=O)CN(C)C(=O)c2cc3ccccc3s2)c1 9479175 UMRXIWDJARWNSP-UHFFFAOYSA-N 354.431 3.621 0 40 FHAB CC(=O)c1ccc(N2CCN(Cn3cnc4cc(C)c(C)cc43)CC2)cc1 22309729 UFRMFVWAMSHMBB-UHFFFAOYSA-N 362.477 3.635 0 40 FHAB O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cnns1 54150406 VHGAWOBWAZYFMK-UHFFFAOYSA-N 370.381 3.857 0 40 FHAB COC(=O)c1c(NC(=O)/C=C/c2ccccc2OC)sc2c1CCC2 941473 QHXGBXVTQHPKLS-ZHACJKMWSA-N 357.431 3.684 0 40 FHAB COc1ccc(C(=O)Nc2sc3c(c2C(=O)O)CCCC3)cc1OC 1061053 DGGQKCBHUUEWHT-UHFFFAOYSA-N 361.419 3.595 0 40 FHAB O=C(NC1CCCCC1)NC1CCN(C(=O)CCCc2ccccc2)CC1 55408915 KMAONBDROHURSS-UHFFFAOYSA-N 371.525 3.632 0 40 FHAB O=C(COC(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@H]2CC[C@@H]1C2)c1ccccc1 1460944 VOFKTGMQQAVWGP-YHELAOLJSA-N 362.425 3.958 0 40 FHAB CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc(F)c4)ccc1c23 1448654 OAPQWZFQATWEDW-UHFFFAOYSA-N 370.405 3.760 0 40 FHAB Cc1sc2nc([C@H](C)NCCc3c[nH]c4ccccc34)[nH]c(=O)c2c1C 25776771 NMYMZNBLLIRHTJ-LBPRGKRZSA-N 366.490 3.976 0 40 FHAB C[C@@H](CNC(=O)Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1 44141386 YFCFOLRFOAYEFU-INIZCTEOSA-N 351.450 3.848 0 40 FHAB O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 3228953 CZSBOTMICGNRGU-UHFFFAOYSA-N 367.184 3.804 0 40 FHAB C[C@@H]1CCc2sc(-c3nnc(S[C@H]4C[C@@H](C)OC4=O)o3)cc2C1 12617706 CZONKZLMUDKTHL-KKFJDGPESA-N 350.465 3.719 0 40 FHAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c1 27664495 IZMORRSDXVNFBL-HNNXBMFYSA-N 355.434 3.931 0 40 FHAB CCn1c2ccccc2c2cc(NC(=O)CNC[C@@H]3CCCO3)ccc21 3331000 WEQMXWTVSYUUSB-INIZCTEOSA-N 351.450 3.522 0 40 FHAB Cc1cc(=O)n2c(n1)NC(Nc1ccccc1Cl)=N[C@@H]2[C@@H]1CC=CCC1 10385365 ZHCDPSMJMLARQF-DYVFJYSZSA-N 369.856 3.954 0 40 FHAB COc1ccc(-c2csc3ncnc(N4CCC[C@@H](C(=O)O)C4)c23)cc1 3391600 IZDHALAILVWJKW-CYBMUJFWSA-N 369.446 3.668 0 40 FHAB Cc1cc(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(C)o1 12781759 WSHUQKNHNNLDIB-UHFFFAOYSA-N 372.734 3.541 0 40 FHAB O=C(Cn1ccc2ccc(OCc3ccccc3)cc21)NCc1cccnc1 36366441 YMFUWGRYEXFNTF-UHFFFAOYSA-N 371.440 3.932 0 40 FHAB COc1ccc2nc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)ccc2c1 12760710 SUZJWEDKNGGLHI-UHFFFAOYSA-N 372.428 3.701 0 40 FHAB O=C(NC1=NCCS1)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 12773548 ZYOQVBTWZAIVMO-UHFFFAOYSA-N 372.837 3.618 0 40 FHAB CC[C@@H](CO)Nc1nc(CN2CCC(C)CC2)nc2sc3c(c12)CCC3 12755143 GDQZLFKICKYXSV-AWEZNQCLSA-N 374.554 3.595 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)N[C@H](C)c3ccccc3Cl)CC2=O)cc1 12798268 KOEWUBAKBWZJDD-HUUCEWRRSA-N 356.853 3.879 0 40 FHAB CC[C@@H](OC(=O)/C=C/c1cccc2cccnc12)C(=O)Nc1cc(C)on1 12878817 ZIJVADWAOQCFGY-ZNFPLGDCSA-N 365.389 3.505 0 40 FHAB CNc1ccccc1C(=O)OCC(=O)c1ccc(Br)s1 3441327 VBIQGCWMQGNCTP-UHFFFAOYSA-N 354.225 3.592 0 40 FHAB CCc1c(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cnn1-c1ccccc1 12929966 NEWIVEWLFICRFX-UHFFFAOYSA-N 374.444 3.579 0 40 FHAB CCN(C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1nc2ccccc2s1 12973164 PZRURVXLRSBBAQ-CYBMUJFWSA-N 369.421 3.914 0 40 FHAB COc1cccc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1 3552660 KCYZDWYNMOVVOX-UHFFFAOYSA-N 362.433 3.932 0 40 FHAB O=C(C[C@@H](NCc1cccnc1)C(=O)O)c1ccc(C2CCCCC2)cc1 4054231 PTCZOBHPQRQMKL-HXUWFJFHSA-N 366.461 3.945 0 40 FHAB COC(=O)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(C)O)CC1=O 65735170 JDBGHSWJPLOAHP-NIRXIWGGSA-N 362.510 3.748 0 40 FHAB in-vitro Cn1cc(-c2nc(C[S@](=O)Cc3ccc(Cl)s3)cs2)cn1 64842310 XNKSSKXFEXLCDY-OAQYLSRUSA-N 357.913 3.707 0 40 FHAB C[C@@H]1CCC[C@H](NC(=O)COc2ncnc3sc4c(c23)CCCC4)[C@@H]1C 6468236 FROSNEFKFCPYPC-NFAWXSAZSA-N 373.522 3.890 0 40 FHAB COc1ccccc1[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)N(C)C 14163078 UNUGODZJUQFFCT-MRXNPFEDSA-N 366.383 3.747 0 40 FHAB CC[C@H](C)c1ccc(NC(=O)CCC(=O)Nc2sccc2C(N)=O)cc1 14167838 OLFFNBCDXVWJLK-LBPRGKRZSA-N 373.478 3.718 0 40 FHAB COc1cccc2cc(C(=O)Nc3ccccc3Br)c(=O)oc12 4599071 ZKTAKCNNDRUUFQ-UHFFFAOYSA-N 374.190 3.816 0 40 FHAB C[C@@H](OC(=O)Cc1coc2cc(O)ccc12)C(=O)c1c[nH]c2ccccc12 5806334 JMLXJYXKRMYSGD-GFCCVEGCSA-N 363.369 3.977 0 40 FHAB CC(=O)c1ccc(N2CCN(CC(=O)c3c(C)cc(C)cc3C)CC2)cc1 67206231 VDKSASJSHWHHJK-UHFFFAOYSA-N 364.489 3.819 0 40 FHAB O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1ccc(O)nn1 36688494 ZIOOWQZRPJYUAS-UHFFFAOYSA-N 364.386 3.837 0 40 FHAB C[C@H](NC(=O)CN1C(=O)CSc2ccccc21)c1cccc(Cl)c1 23299652 RUIGEEQFGSUQBW-LBPRGKRZSA-N 360.866 3.656 0 40 FHAB COc1ccc(-c2[nH]ncc2C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC 71116086 SXTZFBYAAYYCQF-GFCCVEGCSA-N 369.396 3.724 0 40 FHAB CCN(CC)c1cc(C)c2c(n1)sc1c(SCC(=O)O)ncnc12 71282512 VDBBSRPABYFNFA-UHFFFAOYSA-N 362.480 3.571 0 40 FHAB CN(Cc1ccc(C(F)(F)F)cc1)Cn1c2c(sc1=O)CCCC2 71853607 XCSGWEWZOYHQKE-UHFFFAOYSA-N 356.413 3.897 0 40 FHAB CSc1nnc(SCC(=O)N[C@H](C)c2cc3ccccc3o2)s1 9721852 AIOXRERZGQHLRE-SECBINFHSA-N 365.505 3.976 0 40 FHAB COc1cccc2cc(C(=O)NCc3ccc(-n4ccnc4C)cc3)oc12 20485946 DLGMSXUNJDNMTA-UHFFFAOYSA-N 361.401 3.866 0 40 FHAB CN(Cc1nc2ccccc2n1C)c1nccc(Oc2ccc(F)cc2)n1 84314027 WFGZUYLNXKIDAE-UHFFFAOYSA-N 363.396 3.931 0 40 FHAB COc1ccc2cc(C(=O)NCCC[C@@H]3CCCC[C@H]3O)c(C)nc2c1 89536695 SXHGJNPLIPXKQZ-MGPUTAFESA-N 356.466 3.613 0 40 FHAB CCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCN=C1c1ccccc1 27588428 UIVRVQTURJOPBR-UHFFFAOYSA-N 372.490 3.660 0 40 FHAB O=C(CCc1nc(-c2cccs2)no1)N1CC[C@@H]1Cc1ccccc1 530878198 SAJYBDINXOYLMP-OAHLLOKOSA-N 353.447 3.574 0 40 FHAB CC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ncnn12)c1ccc(C)cc1 36618900 SLXQVOZSFSBXLY-GOSISDBHSA-N 371.444 3.981 0 40 FHAB Cc1ccc(CSc2nnc([C@@H](C)NC(=O)c3ccccc3)n2C)cc1 33658641 HDXCQCDWLFHGHE-OAHLLOKOSA-N 366.490 3.907 0 40 FHAB COc1ccc(CC(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 219272727 QEXJNHXRNDHXFM-GOSISDBHSA-N 355.434 3.665 0 40 FHAB O=C(CCSc1ccccc1)NCC1CCN(c2ccncc2)CC1 70928589 XBZPRDXWHABKSZ-UHFFFAOYSA-N 355.507 3.597 0 40 FHAB O=C(NCCCNc1ccc(C(F)(F)F)cn1)c1ccc(F)cc1F 32911951 QBTKHZTVBHKDRU-UHFFFAOYSA-N 359.298 3.611 0 40 FHAB COCc1c(C(=O)N2CCN(c3cccc(C)c3)CC2)oc2ccccc12 33238760 AFPLLESELGVBAC-UHFFFAOYSA-N 364.445 3.850 0 40 FHAB O=S(=O)(c1ccc(Cl)cc1)[C@@H]1[C@H](CO)[C@H]1c1cccc(Cl)c1 218590041 KAANBJQCTHHYLY-BZUAXINKSA-N 357.258 3.542 0 40 FHAB COc1cccc(-c2noc(CCC(=O)NC3CCCCCCC3)n2)c1 225825229 NEVPOZYRJRTCCV-UHFFFAOYSA-N 357.454 3.907 0 40 FHAB CCc1ccccc1O[C@H](C)C(=O)NCC1(c2ccccc2)CCOCC1 223577668 AZSFQZKBIFPRCB-GOSISDBHSA-N 367.489 3.881 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(OC(C)C)cc1 222604777 SQJNVLRRNMFTGR-UHFFFAOYSA-N 369.870 3.614 0 40 FHAB Cc1ccc(OCCNC(=O)COc2ccc(Cl)cc2)cc1Cl 224115128 QWXNSKKQFNAXPA-UHFFFAOYSA-N 354.233 3.876 0 40 FHAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)C1CCN(C(=O)C2CC2)CC1 40056836 JZEIHZPBDWXWFK-CQSZACIVSA-N 354.450 3.601 0 40 FHAB CCc1cc(S(=O)(=O)Nc2cccc(Br)c2)ccc1OC 223678311 XGRZHQYLQFOCBT-UHFFFAOYSA-N 370.268 3.821 0 40 FHAB COc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OC 222562771 IUVZXXMQAHBBTI-UYHISHBKSA-N 355.463 3.688 0 40 FHAB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N1C[C@H](C(=O)O)CC1=O 45887188 BREWKXXEERGLLB-GFCCVEGCSA-N 370.792 3.894 0 40 FHAB CCc1ccc(OCCNC(=O)[C@H](CC)Oc2ccccc2OC)cc1 224614144 BJXPFAYLTKPJLI-SFHVURJKSA-N 357.450 3.610 0 40 FHAB Cc1ccc(-c2nc(C(=O)NCc3cccc(Br)c3)no2)cc1 96105675 CGWKYYDELQBKNY-UHFFFAOYSA-N 372.222 3.738 0 40 FHAB O=C1CC[C@H](c2nc(-c3ccc(CN4CCCC4)cc3)no2)n2cccc21 577779182 HXUUKKXQMAJJAA-GOSISDBHSA-N 362.433 3.700 0 40 FHAB Fc1cccc(CN2CCC3(CC2)C[C@@H](OCc2cccnc2)CO3)c1 96106767 XQLMRKQQIRXMPR-HXUWFJFHSA-N 356.441 3.561 0 40 FHAB O=C(c1c[nH]c2ccccc12)N1CCC(O)(c2ccc(Cl)cc2)CC1 96116626 SUOUBWZKAJZBAF-UHFFFAOYSA-N 354.837 3.945 0 40 FHAB CC(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3ccc(F)cc3)C[C@@H]12 96058464 OODGUKZXVGZWRP-YADHBBJMSA-N 352.453 3.590 0 40 FHAB COc1ccc([C@@H](N)c2n[nH]c(COc3ccc(C(C)(C)C)cc3)n2)cc1 95533752 SNGBZMMVWXKTPX-LJQANCHMSA-N 366.465 3.738 0 40 FHAB Oc1cccc2c1OC1(CCN(Cc3cncs3)CC1)[C@H]1CCCO[C@H]21 257245792 IRCLUNWCOVJOTL-FUHWJXTLSA-N 372.490 3.744 0 40 FHAB C[C@](CO)(CNCc1csc(-c2ccc(F)cc2)n1)c1ccccc1 585083568 GRALWLIBZYEFSD-HXUWFJFHSA-N 356.466 3.989 0 40 FHAB CC(C)(C)OC(=O)c1ccc(C(=O)NCc2c(F)cccc2Cl)cn1 593022944 KUZPZIXZDPLSPU-UHFFFAOYSA-N 364.804 3.759 0 40 FHAB COc1cccc(-c2nc(N3CC[C@@H]4COC[C@@H]4C3)c3ccccc3n2)c1 664552548 IZFCVBIDMBBZJZ-SJORKVTESA-N 361.445 3.778 0 40 FHAB COc1cc(C(=O)CSc2nc3ccc(C)cc3[nH]2)cc(OC)c1OC 670417511 GAVODCWBIXUNNB-UHFFFAOYSA-N 372.446 3.872 0 40 FHAB Cc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1cccc3cnccc13)CCC2 111365690 PBRLOLXXDGGGCI-MRXNPFEDSA-N 373.503 3.698 0 40 FHAB COCCn1cc(C(=O)Nc2ccc3oc(=O)ccc3c2)c2ccccc21 57435936 FSMXXOHQEDOZME-UHFFFAOYSA-N 362.385 3.646 0 40 FHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C[C@H]1C=CCC1 57767176 DNJQVEZRZZVHCA-ZDUSSCGKSA-N 354.372 3.849 0 40 FHAB C[C@@H](c1nc(Cc2ccc(F)cc2)no1)N1CCc2ccc(O)cc2CC1 1615882676 JROBDFRLVCZSHH-AWEZNQCLSA-N 367.424 3.667 0 40 FHAB C[C@H]1C[C@@]2(C[C@H](CN(C3CCCCC3)C3CCCCC3)OC2=O)C(=O)O1 5495947 NEYOBFYBCKOYGK-RRMPHLOHSA-N 363.498 3.591 0 40 FHAB CCOc1ccc2nc3c(cc2c1)CN(Cc1ccco1)C(=O)[C@@H](C)O3 12115597 UHDULDBHRAFHJX-CYBMUJFWSA-N 352.390 3.536 0 40 FHAB Cc1ccnc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)c1 12539848 SPUKLLMHMGGCGH-UHFFFAOYSA-N 353.809 3.506 0 40 FHAB Cc1csc2c([C@@H]3CCN(C(=O)COc4ccccc4F)C3)nc(C)n12 19240488 RDPMAHRNENIMBA-CQSZACIVSA-N 373.453 3.547 0 40 FHAB O=C(Cc1ccccc1F)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1 19348135 MPLUEODVPKNXOS-IBGZPJMESA-N 364.424 3.907 0 40 FHAB C[C@@H](C(=O)N[C@@H]1CCCc2nc(-c3ccncc3)ncc21)c1ccccc1 19459406 IMLIYUAUFXFUMZ-FOIQADDNSA-N 358.445 3.836 0 40 FHAB CCCC(=O)N[C@H](Cc1cc(N(C)C)nc(C2CC2)n1)c1cccc(C)c1 19501713 HMGWZOQFLJZKST-LJQANCHMSA-N 366.509 3.929 0 40 FHAB COCc1ccc(C(=O)N2CCC[C@H](c3cc(N(C)C)cc(C)n3)C2)cc1 19570249 GXTBOFHPKCHFNH-IBGZPJMESA-N 367.493 3.622 0 40 FHAB COc1ccccc1CC(=O)N(C)c1nc2c(s1)CCc1occc1-2 12181466 RIXHNAHFBYNMTP-UHFFFAOYSA-N 354.431 3.716 0 40 FHAB Cc1cccc(NC(=O)CSCC(=O)NCc2ccccc2Cl)c1 5704858 NZKITYMHVHQAIH-UHFFFAOYSA-N 362.882 3.637 0 40 FHAB Cc1ccc(C)c(-n2nnnc2SCc2cnn(-c3ccccc3)c2)c1 11282033 IOMDTPMCISAIKF-UHFFFAOYSA-N 362.462 3.757 0 40 FHAB COc1cc(OC)nc(NC(=O)CSc2ccc(C(C)(C)C)cc2)n1 11476921 HURNKWZKLXMNDC-UHFFFAOYSA-N 361.467 3.522 0 40 FHAB O=C(NCc1cccc(C(F)(F)F)c1)c1cccc(N2CCCC2=O)c1 18083753 QRYMSATYRHMDRP-UHFFFAOYSA-N 362.351 3.762 0 40 FHAB O=C(NCCn1cc(-c2ccccc2)cn1)c1ccc(C(F)(F)F)cc1 244933102 CBHXUIUNMOINPJ-UHFFFAOYSA-N 359.351 3.999 0 40 FHAB Cc1ccc(OCC2(O)CCN(C(=O)Cc3ccccc3C)CC2)cc1C 2037912994 JRXYKTFXZVCFDK-UHFFFAOYSA-N 367.489 3.587 0 40 FHAB O=C(CN1C(=O)C[C@H](c2ccco2)Sc2ccccc21)NC1CCCC1 4162840 DXDWHRBUZLMHNL-GOSISDBHSA-N 370.474 3.909 0 40 FHAB Cc1ccc(OCC(=O)NCCc2csc(-c3ccc(F)cc3)n2)cc1 5137415 QVFRJIANKHMLJQ-UHFFFAOYSA-N 370.449 3.995 0 40 FHAB CCCC[C@H](CC)CN[C@H](CC(=O)Nc1ccc(F)cc1F)C(=O)O 5258746 UAMVQSCENRIJKN-BLLLJJGKSA-N 356.413 3.553 0 40 FHAB COc1cc(Nc2ccc(NC(=O)c3ccccc3F)cc2)nc(C)n1 12225228 CINIMXACGHYDSJ-UHFFFAOYSA-N 352.369 3.929 0 40 FHAB Cc1nc(-c2ccccc2NC(=O)COc2ccc3c(c2)OCO3)cs1 208007840 YKFQPHHHGOEHPY-UHFFFAOYSA-N 368.414 3.865 0 40 FHAB CCN(C(=O)CSc1nc(-c2cccs2)n[nH]1)c1ccc(F)cc1 8186206 VTWGUQRUMLXWKZ-UHFFFAOYSA-N 362.455 3.818 0 40 FHAB CC(=O)Nc1cc(NC(=O)C2=Cc3cc(Cl)ccc3OC2)ccc1F 40050346 UCJPMEHEYBLCRP-UHFFFAOYSA-N 360.772 3.852 0 40 FHAB COc1cc(C(=O)NC[C@H](C)c2ccccc2)cc(Br)c1O 40160122 BOEOJXOPCQWPMO-NSHDSACASA-N 364.239 3.697 0 40 FHAB O[C@H](CSc1ccc(Cl)cc1)CN1CCN(c2ccccc2)CC1 20384886 XIJKFIJDIBBJJH-SFHVURJKSA-N 362.926 3.615 0 40 FHAB O=C(Nc1ccccc1F)C(=S)Nc1ccc(Br)cc1 626263 UKUXGHYEMUGNHT-UHFFFAOYSA-N 353.216 3.966 0 40 FHAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccc(Br)cn1 28975527 KWDAUTAQQPPFTK-GFCCVEGCSA-N 366.284 3.681 0 40 FHAB Cc1ccc(C(=O)c2cccc(CN3CCC4(CC3)OCCO4)c2)cc1 2515216 QTYVQIDTIPARSK-UHFFFAOYSA-N 351.446 3.565 0 40 FHAB CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(OC)cc1OC 3386827 MCKQJKVVMLDCSO-UHFFFAOYSA-N 371.433 3.624 0 40 FHAB Cc1cc(OCC(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)ccc1Cl 3487550 YCFQJZQTQOQBPP-IFIJOSMWSA-N 367.873 3.511 0 40 FHAB O=C(CSc1nnc(-c2ccncc2)o1)c1ccc(OC(F)F)cc1 4279708 GUAZNLSFCGTBJG-UHFFFAOYSA-N 363.345 3.708 0 40 FHAB O=C(NCCc1ccccc1)[C@@H]1CCCN(c2nc3ccccc3s2)C1 4967884 WLOZGYDOZLNMQE-QGZVFWFLSA-N 365.502 3.872 0 40 FHAB CCc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(OC)cc2)cc1 6046364 DYQBGICXOXZQRT-LJQANCHMSA-N 365.433 3.524 0 40 FHAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1 7986541 PRDFWSSAIXGGFN-UHFFFAOYSA-N 369.509 3.852 0 40 FHAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(OC)cc3)cc21 8959417 DTHDYTHSUCBIPJ-UHFFFAOYSA-N 368.433 3.719 0 40 FHAB Cc1ccccc1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 102682078 RSTFYUCCHONANF-XNFNUYLZSA-N 372.424 3.559 0 40 FHAB Cc1ccc(-c2ccc(=O)n(CCC(=O)NC3CCCCCC3)n2)cc1C 41254945 AEDSPRCDLOKNJE-UHFFFAOYSA-N 367.493 3.756 0 40 FHAB CC(=O)N[C@@H](CC(=O)Nc1cc(F)ccc1F)c1ccccc1Cl 32922406 QPXMCMAWHDNIAQ-HNNXBMFYSA-N 352.768 3.824 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)CCNC(=O)Nc2ccccc2)c1 21705340 FPBXTRSHSVKHLO-UHFFFAOYSA-N 371.437 3.634 0 40 FHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C2 102889006 DCTHVLSDKDXVPO-WRSAYESZSA-N 371.449 3.628 0 40 FHAB O=C(/C=C/c1cc(Cl)cc(Cl)c1)Nc1ccc2c(c1)NC(=O)CO2 22007280 GXWUDWYKVJHEJM-DAFODLJHSA-N 363.200 3.976 0 40 FHAB Cc1occc1C(=O)Nc1cnn(Cc2ccc(Br)cc2)c1 27920909 DXGMVNJNXVHBML-UHFFFAOYSA-N 360.211 3.848 0 40 FHAB O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1cccs1 676471 PKYJPTDJUXMKMG-UHFFFAOYSA-N 364.492 3.611 0 40 FHAB CC(=O)c1ccccc1NC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C 22475296 BCGASKVXIOLCEJ-UHFFFAOYSA-N 374.400 3.992 0 40 FHAB CN(CCCc1nc(-c2cccs2)no1)Cc1ccc2c(c1)OCO2 37123893 XSPJQVFGQBCQIU-UHFFFAOYSA-N 357.435 3.591 0 40 FHAB COc1ccc(Cl)cc1-n1nnc(C(=O)Nc2cccc(F)c2)c1C 2715836 CPHRNCUKOSDZKZ-UHFFFAOYSA-N 360.776 3.629 0 40 FHAB CN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1ccc2c(c1)CCCC2 23198151 BXMAQRWWSKYXMQ-UHFFFAOYSA-N 351.418 3.664 0 40 FHAB COc1ccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)c2ccccc12 954845 QHVZKICQKUOEMV-UHFFFAOYSA-N 374.396 3.754 0 40 FHAB CCOC(=O)/C=C1/Sc2ccccc2C(=O)N1CC(=O)c1ccccc1 104624256 UGECNXCQWTXWFW-LDADJPATSA-N 367.426 3.522 0 40 FHAB O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1cccc(Cl)c1 54348797 ZKRWFVMBYJJJSE-UHFFFAOYSA-N 357.841 3.898 0 40 FHAB CCOC(=O)c1cc(CC)sc1NC(=O)c1cnc2ccccc2n1 24092576 TXMRZFZUKKOHED-UHFFFAOYSA-N 355.419 3.683 0 40 FHAB COc1ccc(NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1 1397088 UETOAFKCEFKNKF-UHFFFAOYSA-N 368.820 3.811 0 40 FHAB CC(=O)c1ccc(NC(=S)NN2CCCC[C@H]2c2cccnc2)cc1 1442197 ZVYSWFNFFHLMNK-SFHVURJKSA-N 354.479 3.713 0 40 FHAB COc1ccc2nc(-c3ccccc3)cc(SC[C@H](N)CC(=O)O)c2c1 57312187 UKICYPMKBAALOE-CQSZACIVSA-N 368.458 3.805 0 40 FHAB O=C(Nc1ccc2c(c1)oc1ccccc12)N1CCN(C(=O)C2CC2)CC1 57596357 QQAWQRZYNGOKRK-UHFFFAOYSA-N 363.417 3.672 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](c2ccccc2F)c2nccn2C)cc1 12550416 ZAWKCLMXAPRYLM-KXBFYZLASA-N 367.424 3.541 0 40 FHAB COC(=O)c1cc2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2s1 20025290 NCEDASUEJITIKX-UHFFFAOYSA-N 371.414 3.957 0 40 FHAB O=C(c1cccnc1OCC(F)(F)F)N1CCCc2c(F)cc(F)cc21 58063262 NOKCHRNAAYIVFH-UHFFFAOYSA-N 372.293 3.894 0 40 FHAB COc1ccc2[nH]cc(C(=O)[C@@H](C)N3CCN(c4ccccc4)CC3)c2c1 35999865 PWTBVEIXFWKGJX-MRXNPFEDSA-N 363.461 3.570 0 40 FHAB C[C@H](NC(=O)Nc1cccc(CN2CCCC2=O)c1)c1ccc(F)c(F)c1 58244823 FRJQJKCAUXGNOR-ZDUSSCGKSA-N 373.403 3.970 0 40 FHAB Cc1n[nH]c(-c2ccccc2NC(=O)CCCOc2cccc(F)c2)n1 58226676 WGLIJLOESCWUSV-UHFFFAOYSA-N 354.385 3.717 0 40 FHAB C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(Oc2cnccn2)cc1 58356378 XPRUJONMSZWYDR-CRAIPNDOSA-N 370.453 3.986 0 40 FHAB CCOc1ccccc1NC(=O)CCc1nc(-c2ccc(OC)cc2)no1 2395283 PTWGMQUQRQENMI-UHFFFAOYSA-N 367.405 3.715 0 40 FHAB Cn1ccnc1COc1ccc(NC(=O)CCC(=O)c2cccs2)cc1 48356046 NZNVJEYTJFMVBJ-UHFFFAOYSA-N 369.446 3.662 0 40 FHAB CCOc1ccc2nc(NC(=O)c3cn4c(C)cccc4n3)sc2c1 7725302 INFQBZRRTXHLNN-UHFFFAOYSA-N 352.419 3.903 0 40 FHAB Cc1ccc2oc(C(=O)NCc3ccccc3OC(F)F)cc(=O)c2c1 12826657 GAFCZMLOZDIDJD-UHFFFAOYSA-N 359.328 3.633 0 40 FHAB O=C(Nc1cccc(-n2cnnn2)c1)c1ccc(-c2ccc(F)cc2)s1 7781058 HRGDFYGINZUMIS-UHFFFAOYSA-N 365.393 3.782 0 40 FHAB O=C(NCCc1ccccc1)c1nn(-c2ccc(F)cc2)c2c1CCCC2 12985953 ROPPNEOFXYXFJZ-UHFFFAOYSA-N 363.436 3.863 0 40 FHAB CSc1ccccc1NC(=O)[C@H](C)Nc1ccc(N2CCCC2=O)cc1 7848559 ORZUTXQFWCGKOO-AWEZNQCLSA-N 369.490 3.974 0 40 FHAB Cn1ccc(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)n1 48708642 HLWARWGPCUIRCG-UHFFFAOYSA-N 353.607 3.570 0 40 FHAB CCOC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@@H]1c1cccc(F)c1 16494860 LULKBHYVFCZZGZ-QGZVFWFLSA-N 374.437 3.991 0 40 FHAB Cc1cc(C(=O)OCC(=O)N[C@@H](C)CCc2ccccc2)c(C)n1C1CC1 16695764 IIINJLAUTCYNTA-HNNXBMFYSA-N 368.477 3.734 0 40 FHAB Cc1ccc(C)c(NC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)c1 8180610 WYMLSSVXKLSKLC-UHFFFAOYSA-N 354.494 3.965 0 40 FHAB CCOc1ccc2nc(SCC(=O)Nc3ccc(OC)cc3)[nH]c2c1 5025081 ZFFXNRATVWPCHY-UHFFFAOYSA-N 357.435 3.701 0 40 FHAB CSc1nnc(NC(=O)CSc2nc3cc(Cl)ccc3o2)s1 8334954 XBKGALPAFLXVGL-UHFFFAOYSA-N 372.884 3.785 0 40 FHAB COc1cccc(OCc2nn3c(-c4ccccc4C)nnc3s2)c1 8392806 PIBVGGATPYPPES-UHFFFAOYSA-N 352.419 3.749 0 40 FHAB CCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@H]1c1cccc(C(F)(F)F)c1 8323308 DEMCTKPGKBQHHI-AWEZNQCLSA-N 356.344 3.581 0 40 FHAB Cc1ccc(NC(=O)Cn2c(C)nc3cc4c(cc32)OCCCO4)cc1C 14000699 PICRCLAUBLKFLC-UHFFFAOYSA-N 365.433 3.762 0 40 FHAB O=C(CCC(=O)c1ccc(F)cc1)OCc1nc(-c2ccccc2)no1 6420771 NFRBTYYYGBJCHO-UHFFFAOYSA-N 354.337 3.582 0 40 FHAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(N2CCCC2)cc1 6582377 FLIFIHLZRDCOHV-UHFFFAOYSA-N 365.433 3.614 0 40 FHAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(Br)cc3)CC2=O)cc1 4610673 YYTGQOZPBSOWTC-ZDUSSCGKSA-N 374.234 3.716 0 40 FHAB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2nccs2)cc1 14461949 WHKOWLSQIPTKPG-ZIAGYGMSSA-N 373.478 3.564 0 40 FHAB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)N1c2ccccc2C[C@@H]1C 6642637 GAMMTBRBKAZCNP-AWEZNQCLSA-N 373.836 3.548 0 40 FHAB Cc1cc(=O)n2c(n1)NC(Nc1cccc(C)c1C)=N[C@@H]2c1ccccc1 4748804 BTCNKKAUUNSGNF-IBGZPJMESA-N 359.433 3.609 0 40 FHAB Cc1ccccc1NC(=O)[C@@H](C)N1c2cccc3cccc(c23)S1(=O)=O 6720886 BSJYWPFTGSQURT-CQSZACIVSA-N 366.442 3.684 0 40 FHAB O=C(Nc1nc(-c2ccccn2)cs1)C1(c2ccccc2)CCOCC1 71287160 MRMGAIKDRHDZBB-UHFFFAOYSA-N 365.458 3.892 0 40 FHAB Cc1sc(NC2=NS(=O)(=O)c3ccccc32)nc1-c1ccccc1 9226839 YPYWWHQPCADEIE-UHFFFAOYSA-N 355.444 3.680 0 40 FHAB Cc1ccc(-c2nc(NCCCN3CCOCC3)c3ccccc3n2)cc1 19792032 ZKQSOOMFHOIMOT-UHFFFAOYSA-N 362.477 3.739 0 40 FHAB O=C(COc1ccccc1-c1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 9416803 GUBGXHXTLUYTSF-UHFFFAOYSA-N 359.385 3.541 0 40 FHAB O=C(NCCc1nnc2ccccn12)c1cc2c(Cl)cccc2s1 95474421 FRQWKAQQBFWMAE-UHFFFAOYSA-N 356.838 3.570 0 40 FHAB CN(C)c1cccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)c1 9932194 ITAXYPLIYSSWNQ-UHFFFAOYSA-N 351.494 3.669 0 40 FHAB Cc1cccc(N2C(=O)C[C@H](Nc3ccccc3Br)C2=O)c1 36635376 XIPDWRYDMOXMEF-HNNXBMFYSA-N 359.223 3.502 0 40 FHAB COc1cccc(C(=O)N2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)c1 72390074 GHDVGOUYZSAABV-CQSZACIVSA-N 369.446 3.827 0 40 FHAB O=C(c1cc[nH]n1)N1CCC(c2cccc(Cc3ccccc3F)n2)CC1 72349799 DCPNXRNQFKBDCB-UHFFFAOYSA-N 364.424 3.554 0 40 FHAB Cc1cc(N(C)C)ccc1NC(=O)CSc1ccc2c(c1)OCCO2 40106882 JNHIZPXFQGOLKM-UHFFFAOYSA-N 358.463 3.563 0 40 FHAB CC(C)Oc1ccccc1CNC(=O)C(=O)Nc1ccc(C(C)C)cc1 42646499 WAHOQAQDJCKALB-UHFFFAOYSA-N 354.450 3.852 0 40 FHAB O=C(CSCc1ccccc1F)NCc1ccccc1CN1CCCC1 224800092 DEHCLYRIVYCTAA-UHFFFAOYSA-N 372.509 3.971 0 40 FHAB Cc1cccc(CCCNC(=S)Nc2ccc(C(=O)N(C)C)cc2)c1 225393978 YQTJCUKPQNVUBY-UHFFFAOYSA-N 355.507 3.616 0 40 FHAB CC(C)(C)c1ccc(Br)c(S(=O)(=O)Nc2cccnc2)c1 41105656 UNGFZHOVTMXMDK-UHFFFAOYSA-N 369.284 3.942 0 40 FHAB COc1ccc(CN(C)C(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 222875644 XCDDGYMTEFTZNK-INIZCTEOSA-N 353.462 4.000 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C 223674525 OVDDMCJSPHYJLE-LJQANCHMSA-N 366.505 3.708 0 40 FHAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC)c(C(=O)OC)c1 225841914 QDXHGHJZAUHUHW-IBGZPJMESA-N 351.443 3.796 0 40 FHAB CC(C)Cc1nc2ccc(NC(=O)c3cc(-c4cccnc4)[nH]n3)cc2[nH]1 96116858 NRNUOWHYLJJIRO-UHFFFAOYSA-N 360.421 3.799 0 40 FHAB O=C(c1cccnc1)N1CCC2(CC1)C[C@H](N1CCCC1)c1ccccc12 96079208 KPPIOPSFDVMUGQ-NRFANRHFSA-N 361.489 3.796 0 40 FHAB O=C(COc1ccccc1)Nc1cccnc1SCc1ccccn1 96231888 UDRNWWXOXGBPLC-UHFFFAOYSA-N 351.431 3.786 0 40 FHAB CCOC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2cc(Cl)ccc2N1 253596250 OZSYVNDSCSKJEF-KLRFSYFPSA-N 362.857 3.581 0 40 FHAB O=C1N(CC2CC2)[C@H]2CC[C@@H](c3cncnc3)[C@H]2N1c1cccc(F)c1 257212293 CCRYMUBYGZGXFA-GBESFXJTSA-N 352.413 3.583 0 40 FHAB COc1nccc2c(NC(=O)N3CCCC[C@@H]3c3nc(C)no3)cccc12 640259435 RKCIIMGVDISFOV-MRXNPFEDSA-N 367.409 3.694 0 40 FHAB Cc1ccc([C@@H]2CCN(C(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)C2(C)C)cc1 1133029321 PWUUEPGOSAGHBS-FIKGOQFSSA-N 372.534 3.544 0 40 FHAB Cc1nc(C(=O)N2CCCc3c(Br)c(F)cc(F)c32)co1 667766475 VQVPDDIKGHXVOF-UHFFFAOYSA-N 357.154 3.617 0 40 FHAB CSCC[C@@H](C(=O)NCCCn1ccc2ccccc21)n1cccc1 575443336 ZJPPJCFAASAFPP-IBGZPJMESA-N 355.507 3.944 0 40 FHAB CN(Cc1ccccc1)[C@@H]1CC[C@@H](N(Cc2ccccc2)CC2CC2)[C@@H]1O 585261330 NMWOVZBGSSFYKD-WXFUMESZSA-N 364.533 3.923 0 40 FHAB CCN1Cc2ccccc2CC2(CCN(C(=O)OC3CCCC3)CC2)C1=O 585105880 WKMJRCHVZNFMKD-UHFFFAOYSA-N 370.493 3.753 0 40 FHAB COc1cccc(/C=C2/CCc3c2nc2ccccc2c3C(N)=O)c1OC 44033719 DEOHXTHNGYISLH-SEYXRHQNSA-N 360.413 3.838 0 40 FHAB Cc1cc(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n(C)n1 62504701 GOGGWEVZVHQSAV-NRFANRHFSA-N 373.412 3.991 0 40 FHAB O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1cccc(C(F)(F)F)c1)CN2CC1CC1 19713468 GMHZBARGGNTDKD-SCTDSRPQSA-N 366.427 3.942 0 40 FHAB O=C(NCC1CCN(CC(F)(F)F)CC1)C12CC3CC(CC(C3)C1)C2 186991607 NXLIBLJQNHYTRV-UHFFFAOYSA-N 358.448 3.593 0 40 FHAB O=c1oc2ccccc2n1[C@H]1CCCN(Cc2cccc3cccnc23)C1 12119172 FMQCTBHGIGJLOY-SFHVURJKSA-N 359.429 3.980 0 40 FHAB O=C(COc1ccc2c(c1)CCC2)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12539463 IFYOIUBIWMJOMZ-HXUWFJFHSA-N 361.445 3.794 0 40 FHAB CSc1ccc(NCc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 13086646 HYBJJUYUINSLGM-UHFFFAOYSA-N 354.431 3.633 0 40 FHAB O=S(=O)(Cc1ccccc1)Nc1cnn(Cc2ccccc2Cl)c1 14228094 QOTVPCAKCULNFW-UHFFFAOYSA-N 361.854 3.527 0 40 FHAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2[nH]c(=O)oc2c1 15780462 MORNMSBTLJFNHE-UHFFFAOYSA-N 369.764 3.990 0 40 FHAB CCOc1ccc(NC(=O)[C@@H]([C@@H](C)N2CCCCC2)N2CCCCC2)cc1 19366266 JFEFUMYXQVSUMX-WIYYLYMNSA-N 373.541 3.753 0 40 FHAB Cc1nc2cc([C@@H]3CCN(C[C@H](C)c4ccccc4)C3)nn2c(O)c1C 19555925 OYBQMBDOBDDHAM-KBXCAEBGSA-N 350.466 3.645 0 40 FHAB O=C(COc1cccc2ccccc12)Nc1nnc(-c2cccnc2)s1 3183769 PEMMYVMUFHDBJZ-UHFFFAOYSA-N 362.414 3.771 0 40 FHAB Cc1nc(-c2ccc(CCNC(=O)COc3ccccc3F)cc2)cs1 15240202 UVIZLEQYHIFUJV-UHFFFAOYSA-N 370.449 3.995 0 40 FHAB CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CCN(C2CCCCC2)C1 2037845502 GOXKCRHMMFDDEV-CYBMUJFWSA-N 358.511 3.515 0 40 FHAB COc1ccc(OC)c(C2=NCC(=O)Nc3c2oc2ccc(Cl)cc32)c1 870280 YCCXTSVGUONJBN-UHFFFAOYSA-N 370.792 3.893 0 40 FHAB biogenic CCCCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2ccccc21 4193401 IFMFRRYBZZSJSZ-UHFFFAOYSA-N 355.459 3.943 0 40 FHAB Cc1ccc(CSC2=NCCN2C(=O)[C@H](C)Oc2ccccc2)cc1 4120400 NRYWBAAKYLVJRQ-INIZCTEOSA-N 354.475 3.894 0 40 FHAB CCc1ccc2nc(N3CCN(C(=O)c4cccc(F)c4)CC3)sc2c1 5180975 FPKWBRCJNGLVQC-UHFFFAOYSA-N 369.465 3.960 0 40 FHAB COc1ccccc1CNc1nccn(Cc2ccc(Cl)cc2)c1=O 9320273 YUXJHFACPRBDAJ-UHFFFAOYSA-N 355.825 3.566 0 40 FHAB COc1ccc(CC(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)cc1 13695246 RORGKZZCFQGMMX-UHFFFAOYSA-N 366.461 3.812 0 40 FHAB O=C(Nc1ccc(CC(=O)N2CCCC2)cc1)c1c(F)cccc1Cl 13714194 WYFQWYLUISFORL-UHFFFAOYSA-N 360.816 3.896 0 40 FHAB COc1ccc(C2(CNC(=O)COc3ccccc3F)CCCC2)cc1 21691242 KWCLRDBSEAQHAU-UHFFFAOYSA-N 357.425 3.841 0 40 FHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1-n1cccn1 40121021 VHHOYXKVXNMVNU-UHFFFAOYSA-N 364.405 3.655 0 40 FHAB CCCNC(=O)CN(CCC)C(=O)c1ccc(Oc2ccccc2)cc1 40156048 UNZXRZLMHUUHAD-UHFFFAOYSA-N 354.450 3.857 0 40 FHAB C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 40144879 OWVKFPPWOWLQLT-QWRGUYRKSA-N 357.281 3.866 0 40 FHAB C[C@@H](NC(=O)c1cccnc1N1CCCC1)c1cccc(Br)c1 30465662 FAZHFSOAJNOSOG-CYBMUJFWSA-N 374.282 3.935 0 40 FHAB COc1cc(Cl)c(S(=O)(=O)N2CCc3ccccc32)cc1Cl 810981 JTRJNGVVCPCTKQ-UHFFFAOYSA-N 358.246 3.753 0 40 FHAB O=[P@](O)(c1ccc(I)cc1)C1CCCCC1 1870343 ADNWBISCMFJDEX-UHFFFAOYSA-N 350.136 3.520 0 40 FHAB COC(=O)C[C@@H](NC(=O)N[C@@H](C)c1ccccc1F)c1cccs1 29330366 DCQFFVFOYYGJCY-SMDDNHRTSA-N 350.415 3.552 0 40 FHAB CCc1nnc(NC(=O)CSc2nc3ccccc3cc2CC)s1 4849239 ALEMILOTNXAYLX-UHFFFAOYSA-N 358.492 3.942 0 40 FHAB COc1ccccc1NC(=O)CS[C@H]1CCc2ccccc2N=C1O 11865849 IMDNYAOGOFUYKY-KRWDZBQOSA-N 356.447 3.970 0 40 FHAB CCCOc1ccc(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)cc1 6517386 DEQKTNILVKTFOE-UHFFFAOYSA-N 367.493 3.870 0 40 FHAB CCCCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1 7262002 IIHRIUZMUWLLEQ-UHFFFAOYSA-N 368.458 3.926 0 40 FHAB CCCCCn1nc(C(=O)Nc2ccccc2OC)c2ccccc2c1=O 7609902 AFNCKZLHMOOUKE-UHFFFAOYSA-N 365.433 3.848 0 40 FHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OC)cc1 7689148 OPLPTZRCYSTGAX-UHFFFAOYSA-N 369.339 3.992 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1 7882225 BIMXDYVXNVGGJA-CQSZACIVSA-N 356.809 3.534 0 40 FHAB CCCOC(=O)c1cn(-c2ccc(OCC)cc2)c(=O)c2ccccc12 21359959 TZTFBQZWDBGNEG-UHFFFAOYSA-N 351.402 3.956 0 40 FHAB COc1ccc(OC)c(NC(=O)Nc2ccn(Cc3ccccc3F)n2)c1 8114839 WXPIWSLLHUGMLG-UHFFFAOYSA-N 370.384 3.732 0 40 FHAB COc1ccc(CNC(=O)c2csc(-c3cccs3)n2)cc1OC 8276308 JILRKJBIIWDWHS-UHFFFAOYSA-N 360.460 3.819 0 40 FHAB COc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc(OC)c1OC 10542972 JTMBLPAXFMQILL-OAHLLOKOSA-N 371.433 3.745 0 40 FHAB FC(F)(F)c1cccc(NC(=S)NCc2cccc3c2OCO3)c1 60431153 URVNOAWJVPSCNN-UHFFFAOYSA-N 354.353 3.921 0 40 FHAB Cc1ccccc1CN1CCN([C@H](C)c2nnc(-c3ccccc3)o2)CC1 22025278 VUGFRLGMOHANCI-GOSISDBHSA-N 362.477 3.924 0 40 FHAB CCOc1ccc2c(c1)S/C(=C\c1ccc(C(=O)OC)cc1)C(=O)N2 33466791 TZVDNCWURRGPAJ-YVLHZVERSA-N 355.415 3.957 0 40 FHAB CCOC(=O)c1ccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccccc23)cc1 2963636 UNAXJUIGYCIKRC-OXJNMPFZSA-N 368.458 3.798 0 40 FHAB COc1ccc(N2C[C@H](C(=O)Nc3ccc(C(C)C)cc3)CC2=O)cc1 969446 WBYJIDHRIRREOS-MRXNPFEDSA-N 352.434 3.810 0 40 FHAB Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3)n2C)c1 917254 VLUOGOPGTYERTD-CQSZACIVSA-N 352.463 3.910 0 40 FHAB CC(C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 991718 RXIJFVCPFKRGHW-UHFFFAOYSA-N 353.827 3.706 0 40 FHAB CC1(C)[C@H]2CC[C@@]1(C)c1nc(SCC(=O)Nc3ccccc3)nnc12 100587128 WHBURJYQETVHBE-DJJJIMSYSA-N 354.479 3.777 0 40 FHAB O=C1C[C@@H]2[C@@H](C[C@H](OCc3ccccc3)[C@H]2COCc2ccccc2)O1 34204012 LGJKDUUDZFLNNE-XSDIEEQYSA-N 352.430 3.740 0 40 FHAB CN(C)Cc1ccccc1NC(=O)CCC(=O)c1ccc2c(c1)CCC2 24811725 GSEXGHZKSBFFDV-UHFFFAOYSA-N 350.462 3.839 0 40 FHAB CC(C)CCN(CCC(C)C)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 24837226 HJOQYHHSYTZJLH-UHFFFAOYSA-N 359.470 3.839 0 40 FHAB COc1ccc(-c2cc3ccc(OCC(=O)OC(C)C)cc3oc2=O)cc1 1317625 UXYHPZHGRNOZFG-UHFFFAOYSA-N 368.385 3.799 0 40 FHAB biogenic Fc1ccc(-c2nnc(CN3CCN(c4ccccc4Cl)CC3)o2)cc1 57303764 GHLWYWQEJHFCFS-UHFFFAOYSA-N 372.831 3.851 0 40 FHAB CC(=O)Nc1ccc(CNC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 58195479 SPMFJIKRJAKNLQ-INIZCTEOSA-N 359.420 3.539 0 40 FHAB NC(=O)Cc1ccccc1NC(=O)c1csc(-c2cccc(Cl)c2)n1 58172148 CPTMCLINWJQFMP-UHFFFAOYSA-N 371.849 3.744 0 40 FHAB CCN(CC)C(=O)C1CCN(C(=O)N[C@H](C)c2cc(C)sc2C)CC1 58292055 XEHYSRVSCHWDMB-CQSZACIVSA-N 365.543 3.716 0 40 FHAB CC(=O)Nc1ccc(N[C@@H]2SC(=O)N(c3cccc(C)c3)C2=O)cc1 2239937 ZEAGXLKNCGDNJE-MRXNPFEDSA-N 355.419 3.591 0 40 FHAB CN(C)CCn1cc(C(=O)N(C)Cc2cccc(F)c2)c2ccccc21 58441017 BBRCWMJRJWYZMK-UHFFFAOYSA-N 353.441 3.614 0 40 FHAB O=S(=O)(N[C@H](c1ccccc1)C1CC1)c1ccc(Br)cc1 10677086 UWRRZNIWPCEGRB-MRXNPFEDSA-N 366.280 3.879 0 40 FHAB O=C(COc1ccc(Cl)cc1)NC[C@@H](c1ccco1)N1CCCCC1 3359725 YITGGRZZIXVZEW-KRWDZBQOSA-N 362.857 3.655 0 40 FHAB COc1ccc(-c2nnsc2C(=O)NCc2ccc(Cl)cc2)cc1 36364888 JQMLIRKATYZDEM-UHFFFAOYSA-N 359.838 3.797 0 40 FHAB CCC(CC)c1nnc(NC(=O)c2ccc(N3CCCC3=O)cc2)s1 3370341 SYHPLTQRQAGCJN-UHFFFAOYSA-N 358.467 3.821 0 40 FHAB O=C(NC1CCCCC1)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 48354868 HARISSFLOALYJE-IBGZPJMESA-N 351.450 3.998 0 40 FHAB CN(C)C(=O)[C@@H]1CCCN1Cc1cn(-c2ccccc2)nc1-c1ccccc1 12815530 FVADNLKMBSCAFL-NRFANRHFSA-N 374.488 3.592 0 40 FHAB C[C@@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc2ccccc2c1 12807079 BXRRPRGKQXITBK-OAHLLOKOSA-N 367.470 3.875 0 40 FHAB COc1ccc2nc(SCC(=O)Nc3cc(C)ccc3OC)[nH]c2c1 3493572 XDAOFSBXKLPZFC-UHFFFAOYSA-N 357.435 3.619 0 40 FHAB C[C@H](NC(=O)NCCc1cccs1)c1ccc(NC(=O)C2CC2)cc1 12986102 QRSYQPRPMYUIFK-ZDUSSCGKSA-N 357.479 3.700 0 40 FHAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)NC[C@H](C)c1ccccc1 12975699 TWCGPMJGHAIBTA-KBPBESRZSA-N 370.522 3.891 0 40 FHAB O=C(CN1CCSC1=O)Nc1nc(-c2ccccc2Cl)cs1 12983700 LEZOCWYJOKZPLX-UHFFFAOYSA-N 353.856 3.571 0 40 FHAB Cc1cc(C(=O)COC(=O)c2ccccc2F)c(C)n1Cc1ccco1 3537734 KJUNLBWAEORORE-UHFFFAOYSA-N 355.365 3.925 0 40 FHAB CCOc1cc2c(cc1[C@H]1SCC(O)=Nc3c1cnn3C)O[C@@H](C)C2 49547704 WFJOOSKTMKDHBI-DYZYQPBXSA-N 359.451 3.566 0 40 FHAB COC(=O)COc1ccccc1/C=C1\C(=O)N(CC(C)C)c2ccccc21 409120230 VYJFSCOXPGQSJX-PDGQHHTCSA-N 365.429 3.782 0 40 FHAB Cc1ccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cn2c1 8012226 SPUQSWIFGZUBOR-UHFFFAOYSA-N 366.402 3.714 0 40 FHAB Cc1ccc2c(CC(=O)NCc3ccc(N4CCCC4=O)cc3)coc2c1 16514470 VFLXAWGWMYLYLR-UHFFFAOYSA-N 362.429 3.727 0 40 FHAB Cc1ccccc1-n1c(=O)c2c3c(sc2n2c(S)nnc12)CCCC3 6174302 TXEWTXIDMGJOMY-UHFFFAOYSA-N 368.487 3.571 0 40 FHAB CCN(c1ccc(C(=O)Nc2cc(C)ccc2C)cc1)S(=O)(=O)CC 113964024 HTJPWKCCVUIZNH-UHFFFAOYSA-N 360.479 3.732 0 40 FHAB CCn1c(S[C@@H](C)C(=O)N2CCc3ccccc32)nnc1-c1ccco1 4516284 XOIDLFNAVRREFY-ZDUSSCGKSA-N 368.462 3.628 0 40 FHAB C[C@H]1c2cccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)c2O[C@@H]1C 8280161 RQZUUHSFODMWPN-ZIAGYGMSSA-N 350.418 3.950 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nc(-c3cccs3)n[nH]2)c1C 8231165 ZNDCUXKUKJLGAI-UHFFFAOYSA-N 360.464 3.656 0 40 FHAB C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCc2ccccc2C1 6580141 NMCHHHRDKPGPCY-CYBMUJFWSA-N 364.367 3.971 0 40 FHAB Cc1c(Cl)ccc2c(C(=O)N3CCOCC3)cc(-c3cccnc3)nc12 6527095 WMIIVSTUZCUXKT-UHFFFAOYSA-N 367.836 3.731 0 40 FHAB CCCCNC(=O)C[C@H](C)CC(=O)Nc1cccc(Br)c1 4691400 LEXWVIJAEJJBGS-LBPRGKRZSA-N 355.276 3.720 0 40 FHAB Cc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1 4689615 ULPXQUGBFUXTMT-UHFFFAOYSA-N 374.506 3.501 0 40 FHAB COc1ccc([C@H]2[C@@H](CN3CCCCC3)C(=O)N2c2ccccc2)cc1 5527112 YOZCZMWRFAHLNU-RTWAWAEBSA-N 350.462 3.885 0 40 FHAB CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cccc(F)c1 4736312 PJPLRCCVQAMFKM-UHFFFAOYSA-N 374.416 3.974 0 40 FHAB CCOc1cc(CNCc2cccnc2)cc(Br)c1OC 6870212 KDQLLTGCCFMEMC-UHFFFAOYSA-N 351.244 3.541 0 40 FHAB C[C@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)NC1CCCCC1 5891663 XLARJQHGVIPWFU-LBPRGKRZSA-N 364.902 3.850 0 40 FHAB O=C(NCCc1cccs1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 67036856 OMKGHJDJIQIHMV-MRXNPFEDSA-N 368.861 3.866 0 40 FHAB CN1CCN(c2ccccc2NC(=O)CCSc2ccccc2)CC1 15519999 YFXRPUAGVBTWEV-UHFFFAOYSA-N 355.507 3.559 0 40 FHAB CC(=O)N1CCC(C(=O)NCc2ccc(Cl)cc2)(c2ccccc2)CC1 8944481 DDRWKJZLJFGUHR-UHFFFAOYSA-N 370.880 3.537 0 40 FHAB Cc1ncn([C@@H](C)C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)c1C 92856860 UHMAKAPDSVUNAF-ZDUSSCGKSA-N 368.462 3.527 0 40 FHAB OC1=NC(c2ccccc2Br)=N/C1=C\c1ccc2c(c1)OCO2 9011934 BGVAWIXKFSYACI-QPEQYQDCSA-N 371.190 3.936 0 40 FHAB COc1ccc(C(=O)CSc2nc(C(C)C)n[nH]2)cc1Br 9836437 AXXWLCIKBCZSAS-UHFFFAOYSA-N 370.272 3.674 0 40 FHAB CCOc1cccc(C(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)c1 89953807 GQSRKAHHCQSACS-AWEZNQCLSA-N 351.406 3.669 0 40 FHAB COC(C)(C)C[C@@H](C)NC(=O)COc1ccc(Cl)c2cccnc12 72296856 MWERPBAWLXZBET-GFCCVEGCSA-N 350.846 3.587 0 40 FHAB COc1ccc(C(F)(F)C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 89904733 PKEZUPPGSRXBSS-GFCCVEGCSA-N 365.376 3.682 0 40 FHAB Cc1cc(Br)oc1C(=O)N(Cc1ccco1)C[C@H]1CCCO1 78698732 URGWONPKJQOMFD-CYBMUJFWSA-N 368.227 3.765 0 40 FHAB Cn1nc(-c2ccccc2)cc1C(=O)Nc1nc(-c2ccncc2)cs1 79491838 ZPJOHPFDMSMCSR-UHFFFAOYSA-N 361.430 3.858 0 40 FHAB O=C(CSc1nc2ccccc2s1)Nc1ccccc1-n1cncn1 25001067 INMJIMRTJYSDFL-UHFFFAOYSA-N 367.459 3.608 0 40 FHAB CCCSc1nnc(NC(=O)[C@H](CC)Oc2ccccc2F)s1 39989167 ZGRLEBCGANRVHL-NSHDSACASA-N 355.460 3.975 0 40 FHAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NC(C)C 30870915 NOHNNHQPHYTLTG-OAHLLOKOSA-N 354.450 3.793 0 40 FHAB CCOc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(OCC)c1 409200422 LHPQJIXIEHWJQZ-LDADJPATSA-N 366.417 3.577 0 40 FHAB Cc1cccc(N(C)C(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)c1 78717157 HJORZJVJNSSOQG-UHFFFAOYSA-N 372.375 3.762 0 40 FHAB O=C(O)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C(F)(F)F 35405460 VIWHVPQFWZXYTA-UHFFFAOYSA-N 354.240 3.564 0 40 FHAB Cc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)Cc3ccccn3)C2)c1 72358852 VHTPOJQTBKFEDG-IBGZPJMESA-N 372.472 3.796 0 40 FHAB CC(C)n1ccc2ccc(C(=O)NCCCc3nnc4ccccn34)cc21 79488729 ULJDEEGWIJKFPE-UHFFFAOYSA-N 361.449 3.628 0 40 FHAB Cc1ccc(C(=O)CCC(=O)N2CCN(C)C[C@H]2c2ccccc2)s1 40013013 HLNLHIDCBZMQJA-KRWDZBQOSA-N 356.491 3.535 0 40 FHAB COc1ccccc1-c1nccnc1[C@@H]1CCCN(C2CCOCC2)C1 72359071 KQISKZSOZKGPJP-MRXNPFEDSA-N 353.466 3.511 0 40 FHAB S=C(NCCNc1ccnc2cc(Cl)ccc12)Nc1ccncc1 225217593 OXBXUXHMKCJSDM-UHFFFAOYSA-N 357.870 3.682 0 40 FHAB O=c1cc(-c2ccncc2)nc2n(Cc3ccccc3F)c3ccccc3n12 40484737 NMJNRGAPJJSUDZ-UHFFFAOYSA-N 370.387 3.899 0 40 FHAB CCOc1ccc(C(=O)NCCCc2ccc(OC)cc2)cc1OCC 225063757 BBGSXGKTRLTZRV-UHFFFAOYSA-N 357.450 3.855 0 40 FHAB COc1cc(N)cc(Br)c1NC(=O)c1cccc(Cl)c1 227146709 ILYAQVKOAGAAKJ-UHFFFAOYSA-N 355.619 3.946 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N1CCN(c2cccc(C)c2C)CC1 44846217 AZIGUIQCSXVYLC-NRFANRHFSA-N 370.468 3.949 0 40 FHAB COc1ccc(CNC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 43642808 JQFRVAYSNCWLFF-GOSISDBHSA-N 350.422 3.618 0 40 FHAB CC(C)OCc1cccc(CNC(=O)c2cc3ccccc3oc2=O)c1 49150615 NPPMHOZZNIKGIG-UHFFFAOYSA-N 351.402 3.648 0 40 FHAB CO[C@@](C)(C(=O)Nc1ccc(OCCN2CCCCCC2)cc1)C1CC1 225644054 LGAXDMIVXQIKSE-OAQYLSRUSA-N 360.498 3.695 0 40 FHAB O=C(NCCSC1CCCC1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 223336539 PKKTYSZRHXMNAN-KRWDZBQOSA-N 364.530 3.830 0 40 FHAB COc1ccc2sc(N3CC(C(=O)Nc4ccc(C)c(F)c4)C3)nc2c1 77101425 IBICWFRZPIAODE-UHFFFAOYSA-N 371.437 3.827 0 40 FHAB CCCc1noc(-c2cc3n(n2)C[C@H](c2ccc(OCC)cc2)OC3)n1 97086801 CRTXKNWCHXGKNC-QGZVFWFLSA-N 354.410 3.556 0 40 FHAB CC(C)NC(=O)C[C@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21 96053348 OTJWOBDADNNHLD-SFHVURJKSA-N 356.510 3.712 0 40 FHAB CC(C)Cn1ncc(NC(=O)N2CCO[C@@H](c3ccco3)C2)c1C(F)F 331796723 WHSAMKZHAVELAX-CQSZACIVSA-N 368.384 3.675 0 40 FHAB O=C(Cc1coc2ccccc12)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 585081675 GECSIHHIQBNHBP-AWEZNQCLSA-N 370.399 3.896 0 40 FHAB CC(C)OCc1nc2c(-c3cccc(C(F)(F)F)c3)nsc2c(=O)[nH]1 585138650 XSPPBQPJXSTNJO-UHFFFAOYSA-N 369.368 3.990 0 40 FHAB Fc1cccnc1CN1CC[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 257326150 WWAOUVDFKRDEPO-SFTDATJTSA-N 356.441 3.561 0 40 FHAB O=C(CCc1nccs1)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 588820332 DBOJSJVHZHJGLW-UHFFFAOYSA-N 368.340 3.783 0 40 FHAB CN1CCCc2cc(NC(=O)NCc3ccc(C(C)(C)C)nc3O)ccc21 1658676102 FDZOXHXJEAIICR-UHFFFAOYSA-N 368.481 3.789 0 40 FHAB CCN(Cc1ccoc1)C(=O)c1ccc2nc(O)n(CC(F)(F)F)c2c1 667915568 JWEJUKGERNMZRR-UHFFFAOYSA-N 367.327 3.560 0 40 FHAB Cn1nc(CN2CCN(c3nccc4sccc34)CC2)c2ccccc21 685475770 ZIBMYRYWLGFWJW-UHFFFAOYSA-N 363.490 3.505 0 40 FHAB O=C1[C@@H]([C@H](O)c2ccccc2Cl)C(C(F)(F)F)=NN1c1ccccc1 100355042 YILYRCMXIGMUIJ-UONOGXRCSA-N 368.742 3.955 0 40 FHAB biogenic Cc1cc(C)c(C)c(OC[C@]2(O)COCCN(C3CCCCCC3)C2)c1 585282660 MIWYLNWJBLNKBW-JOCHJYFZSA-N 361.526 3.777 0 40 FHAB Clc1cccc(CN2CC3(C[C@@H](OCC4CCOCC4)CS3)C2)c1 585105364 VDHIIPZQDFVJPP-GOSISDBHSA-N 367.942 3.843 0 40 FHAB CC(C)n1ncc2cc(C(=O)Nc3cc(Cl)ccc3N(C)C)cnc21 58024063 LHXTWJPIYQACDI-UHFFFAOYSA-N 357.845 3.984 0 40 FHAB CN(C(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1ccccc1 102201691 XKBOKFINTGKGGI-SNEKZUEESA-N 361.869 3.770 0 40 FHAB O=C(COC(=O)/C=C/c1ccc(Cl)cc1)NC12CC3CC(CC(C3)C1)C2 6065194 UPKWSYGCBFRPPO-ZZXKWVIFSA-N 373.880 3.981 0 40 FHAB Cc1cc(OCC(=O)OCC(=O)N2CCCc3ccccc32)ccc1Cl 5994310 QPEFSNUINGRBCK-UHFFFAOYSA-N 373.836 3.550 0 40 FHAB Cc1cc2nc([C@H]3CCCN3C(=O)c3n[nH]c4c3CCCC4)[nH]c2cc1C 12116118 KUILFGOMXWCBAT-GOSISDBHSA-N 363.465 3.759 0 40 FHAB Cc1cccc(NC(=O)CNC(=O)NCCc2ccc(C(C)C)cc2)c1C 12936875 CAERVRJJYHSEEE-UHFFFAOYSA-N 367.493 3.907 0 40 FHAB C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 13123800 HLSJUEZJPMMCBZ-GFCCVEGCSA-N 356.451 3.711 0 40 FHAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)c3cccs3)C2)on1 13226055 OWMOEJNRYOZCKW-LLVKDONJSA-N 360.464 3.583 0 40 FHAB CCn1cnc2cc(NC(=O)c3ccc(-c4ccccc4)[nH]c3=O)ccc21 19578284 IRUWVTDLWXJQED-UHFFFAOYSA-N 358.401 3.664 0 40 FHAB CC(=O)Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1 10593247 ABWDPMJKRPRFPY-UHFFFAOYSA-N 371.824 3.678 0 40 FHAB O=C(O)c1cc2ccccc2cc1NS(=O)(=O)/C=C/c1ccccc1 13262996 KBFAGWBGFLPFCQ-ZHACJKMWSA-N 353.399 3.951 0 40 FHAB C[C@@H](Sc1nc(N)c2ccsc2n1)C(=O)c1ccc(F)c(F)c1 31787613 RMPYHSDAGGKNKO-SSDOTTSWSA-N 351.403 3.915 0 40 FHAB COC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCN(C(C)C)C2 6159805 AIDTVSZIPXLVFA-UHFFFAOYSA-N 358.463 3.554 0 40 FHAB O=C(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1ccccc1Cl 10509237 KAMVZZJZJHOGOE-UHFFFAOYSA-N 371.799 3.745 0 40 FHAB Nc1nc2c(s1)[C@H](c1cccc(OCc3ccccc3F)c1)CC(=O)N2 12375563 GDVAGPKCIZBNNC-AWEZNQCLSA-N 369.421 3.918 0 40 FHAB O=C(Cc1cc(-c2ccc3c(c2)OCO3)on1)NCCC1=CCCCC1 23127311 VQNHJVJGMHWBRK-UHFFFAOYSA-N 354.406 3.620 0 40 FHAB CC(C)(C)c1ccc(/C=C/C(=O)N[C@@H](O)C(Cl)(Cl)Cl)cc1 27529778 ZAHKKCVAGIFYLL-PPGNKHEKSA-N 350.673 3.802 0 40 FHAB Cn1cc([C@H](O)CNC(=O)CCc2cccc(Cl)c2)c2ccccc21 217575159 LZSNHEDIXUUCAC-LJQANCHMSA-N 356.853 3.614 0 40 FHAB O=C(NCc1cccc2ccccc12)N[C@H]1CCN(Cc2ccsc2)C1 585150048 IALHWXCPIUBJKF-IBGZPJMESA-N 365.502 3.975 0 40 FHAB CCOC(=O)c1c(C)c(C(=O)NCc2ccccc2Cl)c(C)n1CC 4162901 VNRIWFNRLPTOFL-UHFFFAOYSA-N 362.857 3.885 0 40 FHAB Cc1nc(C2(NC(=O)c3nc(-c4ccco4)sc3C)CCCC2)no1 40062764 FPDAKBSQQJRZDR-UHFFFAOYSA-N 358.423 3.602 0 40 FHAB COCCN(Cc1ccccc1)C(=O)Cc1ccc(C(F)(F)F)cc1 40015801 QFJYAZVKQDUKPS-UHFFFAOYSA-N 351.368 3.923 0 40 FHAB Cc1nc(-c2c[nH]c(C(=O)NC[C@H]3CCN(c4ccccc4)C3)c2)cs1 31235794 RARIMGIUWGXELG-OAHLLOKOSA-N 366.490 3.703 0 40 FHAB CCCn1ncc2c(C(=O)Nc3nn(C)c(C)c3Cl)cc(C3CC3)nc21 36615937 BCFDZEQUHUQCEC-UHFFFAOYSA-N 372.860 3.666 0 40 FHAB CCOc1ccc(N2C[C@H](C(=O)Nc3c(C)cccc3CC)CC2=O)cc1 806795 QSQJADPWNATGCZ-QGZVFWFLSA-N 366.461 3.948 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)N1CCCCC1 2641646 IYUTYYBPOSSYHP-JTQLQIEISA-N 361.294 3.648 0 40 FHAB CCc1cc2c(SCC(=O)Nc3ccc(OC)cc3)ncnc2s1 3240420 NDUQJKHGYKAWHQ-UHFFFAOYSA-N 359.476 3.993 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCc1c[nH]c2ccccc12 3347029 CINSCIHJWUTCKP-UHFFFAOYSA-N 358.445 3.943 0 40 FHAB Cc1ccc(NC(=O)Cn2cnc3c(sc4ccccc43)c2=O)cc1C 45942825 DYTPFNQGAZFJPU-UHFFFAOYSA-N 363.442 3.867 0 40 FHAB CCOc1ccccc1NC(=O)CCCNC(=O)c1ccc(Cl)cc1 6947787 AQHUGNGYLFZTKI-UHFFFAOYSA-N 360.841 3.887 0 40 FHAB CC[C@@H](Oc1ccccc1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 7759839 WGRHVCBQCDIYSP-GOSISDBHSA-N 365.433 3.861 0 40 FHAB COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(C)nn32)cc1OC 101956032 ZLSWYQZXLIBISB-SFHVURJKSA-N 368.437 3.911 0 40 FHAB O=C(Cc1ccc(Br)cc1)NCCCc1nc2ccccc2[nH]1 8216274 ZIPIVGOOOXRJOY-UHFFFAOYSA-N 372.266 3.617 0 40 FHAB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(C)c(C)c2)CC1=O 8291546 DZLVCLSSCJBQJB-MRXNPFEDSA-N 352.434 3.694 0 40 FHAB COC(=O)c1ccccc1N(CC(C)C)S(=O)(=O)c1ccc(C)cc1 8729427 AOSBJCRCEPLJIH-UHFFFAOYSA-N 361.463 3.633 0 40 FHAB COc1ccc(-c2nc(NC(=O)c3cc(C(C)=O)cn3C)sc2C)cc1 32823640 SUXWBJGLYUQGQH-UHFFFAOYSA-N 369.446 3.921 0 40 FHAB CC(C)n1cc(C(=O)N2[C@@H]3CC[C@H](C3)[C@@H]2COc2ccc(F)cc2)cn1 100113237 SIZLQLKLMQSUJX-BJZITVGISA-N 357.429 3.675 0 40 FHAB O=C(COc1ncnc2scc(-c3ccc(F)cc3)c12)N1CCCCC1 2625553 UTWDYTHVGIQZRP-UHFFFAOYSA-N 371.437 3.889 0 40 FHAB Cc1[nH]c(-c2ccccc2)nc1C(=O)NCCc1ccc(-n2cccn2)cc1 32933189 YQLYTSGZBCXKQW-UHFFFAOYSA-N 371.444 3.543 0 40 FHAB COc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1OC 814032 MQLMYRMAHJMTPG-UHFFFAOYSA-N 371.418 3.524 0 40 FHAB O=S(=O)(NC1CCCCCCC1)c1ccccc1OC(F)(F)F 23390972 KWIVARIVHISUNF-UHFFFAOYSA-N 351.390 3.976 0 40 FHAB Cc1cccc(Cn2ccc(NS(=O)(=O)c3ccc(Cl)cc3)n2)c1 2804922 OANFHWIDNNPSEP-UHFFFAOYSA-N 361.854 3.694 0 40 FHAB CCOc1ccccc1OCC(=O)Nc1ccccc1NC(=O)NC(C)C 47375397 LKUYYJIFTMYMRL-UHFFFAOYSA-N 371.437 3.633 0 40 FHAB Cc1cc2occ(CC(=O)N3CCC4(CC3)OCCO4)c2cc1C(C)C 24995614 HOGYZIMVIFHWSC-UHFFFAOYSA-N 357.450 3.773 0 40 FHAB CCN(CC)CCNCc1cccc(OC)c1OCc1ccc(F)cc1 22075329 JWBMISULFYGHIV-UHFFFAOYSA-N 360.473 3.845 0 40 FHAB Cc1cc(N(C)[C@@H](C)c2ccc(F)c(F)c2)n2nc(C(F)(F)F)nc2n1 25494409 GYTWECJUVBTART-VIFPVBQESA-N 371.313 3.927 0 40 FHAB COc1ccc(NC(=O)NCCc2ccc(Cl)cc2)cc1NC(C)=O 44036425 ZWICGHPDMHUYKS-UHFFFAOYSA-N 361.829 3.671 0 40 FHAB Cc1oc2ncn(Cc3ccccc3)c(=O)c2c1C(=O)Nc1ccccc1 35673039 TXIJOKBIEQTKGJ-UHFFFAOYSA-N 359.385 3.599 0 40 FHAB Cc1ccc(-c2nc(CN3CCN(c4ccccc4O)CC3)co2)c(C)c1 24777715 WJIIZIDOEHBOEV-UHFFFAOYSA-N 363.461 3.986 0 40 FHAB CCCCn1c([C@@H](Cc2ccccc2)NC(=O)COC)nc2ccccc21 1927019 ZQUJSKDEHLOAKE-LJQANCHMSA-N 365.477 3.883 0 40 FHAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)NCCc1ccc(F)cc1 12533171 WXXBQSDPAMPVQE-UHFFFAOYSA-N 363.845 3.806 0 40 FHAB COc1ccc(-c2csc(NC(=O)Cc3ccc(C)nc3)n2)c(OC)c1 58171507 FVLWLLHVTNFAFA-UHFFFAOYSA-N 369.446 3.712 0 40 FHAB CN(CCC(=O)NC1CCCCC1)Cc1ccccc1N1CCCCC1 12554205 JUENTDIYDDXYIO-UHFFFAOYSA-N 357.542 3.948 0 40 FHAB O=C(Nc1ccncc1)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 58190948 VVNINURTZWCFFP-CQSZACIVSA-N 367.384 3.682 0 40 FHAB CC(C)(C)OC(=O)NCC1CCN(C(=O)c2c[nH]c3ccccc23)CC1 58216147 KMUGDFZIKCRORQ-UHFFFAOYSA-N 357.454 3.545 0 40 FHAB CC[C@@H](C)NC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 2193510 ZLBNXQBYFFBSLT-CYBMUJFWSA-N 359.433 3.684 0 40 FHAB O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)Nc1cccc(F)c1 3271079 PKYGZRTVGSFISD-UHFFFAOYSA-N 359.372 3.959 0 40 FHAB COc1cc([C@H](O)P(=O)(OC(C)C)OC(C)C)cc(OC)c1OC 2236242 ODANUYCFJSUWBV-MRXNPFEDSA-N 362.359 3.746 0 40 FHAB C[C@H]1CCc2sc3ncn4nc(-c5ccccc5C(=O)O)nc4c3c2C1 2235551 RVEZSBPUPFHKMS-JTQLQIEISA-N 364.430 3.829 0 40 FHAB CC(C)c1nc2oc3c(NCCCO)ncnc3c2c2c1COC(C)(C)C2 2345874 WAJGPZGWFXJMKU-UHFFFAOYSA-N 370.453 3.540 0 40 FHAB O=Cc1ccc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)cc1 3329340 VJLMRFJDRDHQQO-UHFFFAOYSA-N 359.381 3.962 0 40 FHAB Cc1nc(C(=O)N[C@H](C)c2ccccc2Cl)nn1-c1ccc(F)cc1 12764509 ZXKKJPWBPBYUEO-LLVKDONJSA-N 358.804 3.859 0 40 FHAB COC(=O)C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1cccs1 12744682 QEXMSZCEEWDSQI-ZDUSSCGKSA-N 371.380 3.730 0 40 FHAB Cc1cc(Cl)ccc1OCC(=O)Nc1cnc2c(cnn2C(C)C)c1 12766482 IUCDUQLDAUDXBZ-UHFFFAOYSA-N 358.829 3.992 0 40 FHAB COc1ccc(C(=O)NC(=S)Nc2cc(Cl)ccc2C)cc1OC 408595797 OKLGSBPVMOXARN-UHFFFAOYSA-N 364.854 3.792 0 40 FHAB CCOCc1c(C(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)oc2ccccc12 3544400 BYOSFEGGPDMEEG-HUUCEWRRSA-N 373.449 3.916 0 40 FHAB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C3(c2ccccc2)c2ccccc2)cc1 13138755 DLJYYYZKAJVPHB-OYRHEFFESA-N 369.420 3.801 0 40 FHAB CC(=O)Nc1cc(NC(=O)CC2(C(=O)O)CCCCC2)ccc1Cl 63640225 BQFOVYWUFJHVEX-UHFFFAOYSA-N 352.818 3.662 0 40 FHAB FC(F)(F)c1nn2c(-c3ccc(Br)s3)nnc2s1 49544665 ZQPFQLPXEFNZDA-UHFFFAOYSA-N 355.164 3.696 0 40 FHAB Cc1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc1Br 5121331 ZNOZGLDACHZVSA-LBPRGKRZSA-N 366.280 3.897 0 40 FHAB CC[C@@]1(c2ccccc2)NC(=O)N(Cc2cccc(Br)c2)C1=O 4306553 NGHJJBLTMQWADF-SFHVURJKSA-N 373.250 3.806 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc3cc(C)ccc3[nH]2)c1C 6292201 MGQDAEBANQSNJG-LBPRGKRZSA-N 371.462 3.966 0 40 FHAB CC(=O)Nc1ccc(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)cc1 6347499 HPGGOKUIAXBQPE-UHFFFAOYSA-N 355.434 3.587 0 40 FHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(Cl)sc1Cl 8775993 QHOAJQJKULUUOB-UHFFFAOYSA-N 368.245 3.564 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)c2nnc(-c3ccccc3)o2)c1C 5313719 PZDLCCJLEVPJNY-CYBMUJFWSA-N 353.378 3.802 0 40 FHAB CC(=O)Nc1ccc(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)cc1 14199688 PHJRKFXKISIMCL-UHFFFAOYSA-N 372.494 3.586 0 40 FHAB Cc1cc2oc(=O)cc(COc3ccccc3C(N)=O)c2cc1C(C)C 6653168 OLQPROAVLZNBJB-UHFFFAOYSA-N 351.402 3.903 0 40 FHAB COc1ccc(-c2nc3sc4c(c3c(=O)o2)CC(C)(C)OC4)cc1OC 4785911 BKDYGLJLGHLNSG-UHFFFAOYSA-N 373.430 3.785 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 4815924 XTGOVSBHNICBEQ-INIZCTEOSA-N 352.434 3.612 0 40 FHAB Cc1cc(C)nc(NC2=N[C@@H]3CCCC[C@@H]3N2C(=O)Nc2ccccc2)n1 6922191 CXVWRNKFISPFTL-SJORKVTESA-N 364.453 3.720 0 40 FHAB c1ccc(Cn2ccc(CN3CCC(OC[C@@H]4CCCO4)CC3)c2)cc1 92662779 HAOFMOYBTNKNLC-QFIPXVFZSA-N 354.494 3.696 0 40 FHAB CC[C@H](C)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 7129698 GRKTZHCWGWPCKS-QWRGUYRKSA-N 365.524 3.930 0 40 FHAB CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccc1OC 9281500 PUJBCAZLDJKLGW-UHFFFAOYSA-N 364.445 3.898 0 40 FHAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1 7777516 ORONLPBWIZQUSC-UHFFFAOYSA-N 351.855 3.759 0 40 FHAB COc1ccc(-c2nc(C)c(C(=O)NCc3ccco3)s2)cc1OC 7752740 YNMQGKKQQPZHSR-UHFFFAOYSA-N 358.419 3.659 0 40 FHAB Cc1ccc2nc(CN[C@@H](C)c3cccc(C(F)(F)F)c3)cc(=O)n2c1 9690236 CSPQXDHGMDZPOP-ZDUSSCGKSA-N 361.367 3.873 0 40 FHAB COc1ccccc1-c1cc(COC(=O)c2[nH]c(C)c(C(C)=O)c2C)on1 9454800 HTWZRDRODVRULY-UHFFFAOYSA-N 368.389 3.855 0 40 FHAB COc1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccco2)c(OC)c1 72402740 QPCRBXIBUHNABH-HNNXBMFYSA-N 353.378 3.665 0 40 FHAB C[C@H](NC(=O)c1c[nH]cc1-c1ccc(Cl)s1)C(=O)N1CCCCC1 95373423 OEFLJPMYCQNYJS-NSHDSACASA-N 365.886 3.527 0 40 FHAB CC[C@@H](C)N(CC(=O)OC(C)(C)C)Cc1nc(CCc2ccccc2)no1 84721903 WMTJHHZXTRWBAQ-MRXNPFEDSA-N 373.497 3.797 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 95482258 UCBADINOASXBIG-ZDUSSCGKSA-N 371.824 3.816 0 40 FHAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(O)c(OC)c3)S2)cc1 408790624 SXQOVEZHHPRSHS-DPWKNNTCSA-N 356.447 3.563 0 40 FHAB CN(CCCNC(=O)c1cccnc1SC(F)F)Cc1ccccc1 9982911 MBGFVXLINXEVKN-UHFFFAOYSA-N 365.449 3.648 0 40 FHAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccccc3)cc2)C1=O 409064274 CXKIUZMJJRGFTI-LVLBFHFTSA-N 367.426 3.951 0 40 FHAB Cc1cc(C)cc(OCC(=O)NC[C@H](c2cccs2)N2CCCC2)c1 27584275 QMYNPWGBXFHDMX-GOSISDBHSA-N 358.507 3.697 0 40 FHAB COc1cccc([C@H](CNc2cc(C)nc(-c3ccncc3)n2)N(C)C)c1 60112824 FFIWYFFABUXGAY-IBGZPJMESA-N 363.465 3.570 0 40 FHAB c1ccc([C@H]2N(Cc3c[nH]nc3-c3cccnc3)CC23CCOCC3)cc1 514660312 SQVXFXZWMHCMSV-OAQYLSRUSA-N 360.461 3.825 0 40 FHAB C[C@]1(NC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)CCCc2ccccc21 1519900800 BFENFKOQYLBHRA-FPOVZHCZSA-N 370.399 3.826 0 40 FHAB CCc1ccc(N2C(=O)C[C@@H](Nc3ccccc3Br)C2=O)cc1 36635586 BTGPHCIYMVVIKC-MRXNPFEDSA-N 373.250 3.756 0 40 FHAB Nc1c(Br)cc(Br)cc1-c1nc2ncccc2o1 73639994 YQXOCSYYHKSTRR-UHFFFAOYSA-N 369.016 3.997 0 40 FHAB CCNC(=O)c1cc(S(=O)(=O)Nc2c(CC)cccc2CC)ccc1C 408613122 ZXLWMZBLGNZHQP-UHFFFAOYSA-N 374.506 3.670 0 40 FHAB CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](C(=O)O)c2ccc3ccccc3c2)C1 215747097 KLOYZXFPIGMFNV-QZTJIDSGSA-N 370.449 3.565 0 40 FHAB CCN(CC)Cc1nnc2sc(-c3cc(C)nc4ccccc34)nn12 71260573 LEYNQVNBBMEQPL-UHFFFAOYSA-N 352.467 3.551 0 40 FHAB COc1cc(OC)cc(C(=O)c2ccc(I)cc2)c1 37357683 VPIWYDYRVNXWOL-UHFFFAOYSA-N 368.170 3.539 0 40 FHAB Cc1nc(-c2ccsc2)sc1C(=O)O[C@H](C(N)=O)c1ccccc1 32882769 URGUHSMVAUJGHR-ZDUSSCGKSA-N 358.444 3.563 0 40 FHAB C[C@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 562147752 RQLGLEFVAZXXBK-HOCLYGCPSA-N 373.888 3.616 0 40 FHAB O=C(NCc1cnn2ccccc12)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 563062169 ULASFFMSCGOKPI-LJQANCHMSA-N 374.448 3.647 0 40 FHAB CCn1c(=O)sc2cc(NC(=O)c3ccc(OC)c(Cl)c3)ccc21 225123624 GBGLWGLLSUUWAQ-UHFFFAOYSA-N 362.838 3.997 0 40 FHAB Cc1cc(C)c(C(=O)NCc2ccccc2CN2CCCC2=O)cc1C 225650034 OEHXACUXHHQGDN-UHFFFAOYSA-N 350.462 3.664 0 40 FHAB O=C(Cc1cccc2ccccc12)N(CC(F)(F)F)C1CCOCC1 75166641 HJDKVERAYFWTBU-UHFFFAOYSA-N 351.368 3.952 0 40 FHAB CCCCc1ccc(NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)cc1 222455386 BUPZKMRNZHFHJC-UHFFFAOYSA-N 374.506 3.986 0 40 FHAB CCOc1cccc(NC(=S)N[C@H](C)COc2ccccc2OC)c1 225787121 ZOHCKJMGPJDFOH-CQSZACIVSA-N 360.479 3.848 0 40 FHAB O=C(CC1=CCCCC1)N1CCC2(CC1)C[C@H](Oc1cccnc1)CO2 96106743 QEMNEWOBNRIDBL-IBGZPJMESA-N 356.466 3.501 0 40 FHAB Cn1c(C(=O)NCCc2nc3ccccc3[nH]2)cc2cc(Cl)ccc21 96117053 ZOWNESRTWZBLLW-UHFFFAOYSA-N 352.825 3.681 0 40 FHAB Clc1ccccc1N1CCC[C@@H](NCc2c[nH]nc2-c2cccnc2)C1 1308284408 BKPXDXNZLKIVGE-QGZVFWFLSA-N 367.884 3.884 0 40 FHAB O=C(O)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)c2ccccc21 669435494 IKMXGADDXBUMJG-ILXRZTDVSA-N 357.356 3.673 0 40 FHAB COc1ccc(OS(=O)(=O)c2cc(C)c(Br)cc2C)cc1 1184621596 DFJSDWPDCRKVAU-UHFFFAOYSA-N 371.252 3.842 0 40 FHAB COc1ccccc1-c1cccc(C[C@]2(C(=O)N3CCCC3)CCNC2)c1 585166825 CZICHAGTZHDXFP-HSZRJFAPSA-N 364.489 3.507 0 40 FHAB Cc1cnc(CCN2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)c(C)c1 685941075 QAEVEXXYUYOYDL-UWJYYQICSA-N 352.482 3.555 0 40 FHAB Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CC(=O)N[C@@H](C)C(C)C)n1 58014630 QQTPAJCDFRHJHX-JTQLQIEISA-N 355.269 3.721 0 40 FHAB CCC1(N2CCOCC2)CCN(C(=O)Nc2c(C)csc2Cl)CC1 1616042597 HRIKQDGFIYGODS-UHFFFAOYSA-N 371.934 3.819 0 40 FHAB C[C@@H]1C(=O)N2CCCc3cc(NC(=O)Cc4ccc(Cl)cc4)cc1c32 5153648 XKHCJSRRVRPQRS-LBPRGKRZSA-N 354.837 3.918 0 40 FHAB COc1cccc(NC(=S)N2CCc3cc4c(cc3C2)OCCCO4)c1 5349000 DXTYDODSLUICJO-UHFFFAOYSA-N 370.474 3.612 0 40 FHAB Cc1noc(C)c1CCC(=O)N1CCC(c2onc3c2C[C@H](C)CC3)CC1 12119864 IEGMOTFJVWMWSY-CYBMUJFWSA-N 371.481 3.743 0 40 FHAB COc1ccc(CN2C[C@@H]3[C@@H](CC[C@@]3(O)c3ncccc3C)C2)c(C)c1C 13227680 KLJSXMHMPFEGRC-MZKRTTBSSA-N 366.505 3.745 0 40 FHAB Cc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)C(C)C)cc2)on1 19123746 YDEZRIFRCARNPF-UHFFFAOYSA-N 350.422 3.688 0 40 FHAB CC(C)(CN1CCCCC1)NC(=O)c1cc(-n2cccn2)ccc1Cl 19715181 AAJLMQKVVKZUCZ-UHFFFAOYSA-N 360.889 3.520 0 40 FHAB Cc1ccsc1[C@H](O)CNC(=O)CCc1ccc(C(F)(F)F)cc1 206699266 HGDCXCOHULIZKB-CQSZACIVSA-N 357.397 3.858 0 40 FHAB COc1cccc(/C=C/C(=O)Nc2ccc3c(c2)OCO3)c1OC(F)F 5403290 XHCWEUOWZRLBKN-VMPITWQZSA-N 363.316 3.677 0 40 FHAB COCC(=O)N1CCCCCCCNCc2cc(-c3cccnc3)ccc21 643589231 RVZZKVDPTPUZQY-UHFFFAOYSA-N 367.493 3.782 0 40 FHAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)c1cccc(Br)c1 20029871 YCXKJFSEJNPWHV-JTQLQIEISA-N 358.232 3.628 0 40 FHAB Cc1noc([C@H]2CN(C(=O)/C=C\c3cccs3)C[C@@H]2c2ccccc2)n1 253401448 MYQSEXCHBHJFGJ-XRZRDHLVSA-N 365.458 3.863 0 40 FHAB O=C(c1cc[nH]c1)N1CC[C@]2(c3ccc(-c4ccoc4)cc3)CCOC[C@@H]12 1565551575 SSFHTJKNJJJNBS-IFMALSPDSA-N 362.429 3.848 0 40 FHAB CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1Cl 1445586 BSTDKBHJSDHNMT-UHFFFAOYSA-N 369.808 3.955 0 40 FHAB CC(=O)NC(=O)c1cc2ccccc2o/c1=N\c1ccc(C(F)(F)F)cc1 5125634 PQDYLFAZYJLKJK-MOHJPFBDSA-N 374.318 3.960 0 40 FHAB CN1C(=O)CCc2cc(NC(=O)COc3ccc4ccccc4c3)ccc21 9134252 KCIHYRTTXPANNA-UHFFFAOYSA-N 360.413 3.766 0 40 FHAB CCOc1ccc(/N=c2\scc(-c3cccc(OC)c3)n2CCO)cc1 9317489 WBBOCDAOBRQUHQ-MRCUWXFGSA-N 370.474 3.849 0 40 FHAB COc1ccc(S(=O)(=O)NCc2cc(-c3ccco3)cs2)cc1F 1775968940 PHEZMMNRNVIVTE-UHFFFAOYSA-N 367.423 3.634 0 40 FHAB CN1CCN(Cc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)CC1 35598062 WGQSQESVCBGODR-UHFFFAOYSA-N 358.873 3.731 0 40 FHAB Cc1ccc(C)c(Cn2nc3ccc(-c4ccc(C)c(C)c4)nn3c2=O)c1 49399405 ZLFXXJCFBOWJSK-UHFFFAOYSA-N 358.445 3.840 0 40 FHAB CC(C)(C)n1nc2c(c1NC(=O)c1ccc(Br)o1)CSC2 4077302 CQTCAXHGBKQRFP-UHFFFAOYSA-N 370.272 3.993 0 40 FHAB Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(C)cc2C)cc1 32901972 PPGUGYHBWWTEQZ-UHFFFAOYSA-N 352.463 3.923 0 40 FHAB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)CSc1ccccc1Cl 40069797 ZMCYQNGRCAMYKP-TZMCWYRMSA-N 374.893 3.826 0 40 FHAB Cc1cc(C)n(C[C@H](C)CNC(=O)Nc2cccc(OC(F)F)c2)n1 40120497 JFDYBGABRIDGIN-LLVKDONJSA-N 352.385 3.559 0 40 FHAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1 40104837 GSRWBLVJOOUSMR-AWEZNQCLSA-N 373.428 3.518 0 40 FHAB CCOc1ccc2nc(NC(=O)c3cc(C)nc4c3cnn4C)sc2c1 36616722 YGOCXUPGWYUSFP-UHFFFAOYSA-N 367.434 3.537 0 40 FHAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](C)c3ccccc3)ccc12 846910 OHUPHRRZJKTZSG-HUUCEWRRSA-N 351.402 3.746 0 40 FHAB Cc1ccc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1 1507153 HOJZGMACGWRJQP-UHFFFAOYSA-N 370.408 3.896 0 40 FHAB O=C(Nc1oc2ccccc2c(=O)c1Br)N1CCCCC1 1508942 AOWPMCWPHKTXEZ-UHFFFAOYSA-N 351.200 3.573 0 40 FHAB COc1ccc(C(=O)COC(=O)c2cccc3ccccc23)c(OC)c1 3438489 ONMRJKQRLBSFIY-UHFFFAOYSA-N 350.370 3.897 0 40 FHAB CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(Cl)c1Cl)CC(=O)N2 4944273 VGCAGYDFQFVJMV-QMMMGPOBSA-N 370.261 3.663 0 40 FHAB O=C(NCc1ccccc1)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 7882004 QFEOZLNSAZZYBK-ZDUSSCGKSA-N 363.244 3.663 0 40 FHAB COC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1Cc1ccccc1 8191629 UPTFOFLSENQKKH-GFCCVEGCSA-N 359.476 3.709 0 40 FHAB Cc1cc(F)ccc1C(=O)OCC(=O)c1ccc(Br)cc1 8301222 OHZOGHYHVOWIKJ-UHFFFAOYSA-N 351.171 3.936 0 40 FHAB O=C(Nc1ccc(F)cc1)C1CCN(C(=O)C2(c3ccccc3)CC2)CC1 101841396 AGJDJGDZNBSMBS-UHFFFAOYSA-N 366.436 3.735 0 40 FHAB O=C(Oc1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1)c1cccs1 102088995 XQFVIVAAXUBOLX-GASCZTMLSA-N 355.415 3.647 0 40 FHAB CCCSc1nnc(NC(=O)c2cc(=O)c3cc(F)ccc3o2)s1 21351862 OYOZXGFLQHNGIR-UHFFFAOYSA-N 365.411 3.538 0 40 FHAB CC[C@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1ccc2nc(C)c(C)nc2c1 32741747 OFUGTYPTCFFMIX-WBVHZDCISA-N 369.465 3.583 0 40 FHAB O=C(c1ccc(-c2ccc(F)cc2)s1)N1CCN(c2nccs2)CC1 21472545 QFEIHBABWGUPFN-UHFFFAOYSA-N 373.478 3.973 0 40 FHAB O=C(Nc1nonc1-c1ccc(Br)cc1)c1cccs1 11917106 RFSXSRJMXYDMJE-UHFFFAOYSA-N 350.197 3.813 0 40 FHAB CC(=O)Nc1cccc(NC(=O)[C@H](C)Sc2nc3ccccc3n2C)c1 21664926 VHNPJZXEMKPGJP-LBPRGKRZSA-N 368.462 3.651 0 40 FHAB Cc1ccc(/C=C/C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)c(C)c1 9906015 JYPBXSCNGGHXLG-CSKARUKUSA-N 363.461 3.654 0 40 FHAB Cc1cc2ccccc2n1CC(=O)NCc1cn2cc(Cl)ccc2n1 41789859 DQUFDKGLBIHVCZ-UHFFFAOYSA-N 352.825 3.567 0 40 FHAB CCn1c(S)nc2cc(C(=O)N(C3CCCCC3)C3CC3)ccc2c1=O 103469543 LTRWFOMIKPXKCJ-UHFFFAOYSA-N 371.506 3.642 0 40 FHAB Cc1ccc(C)c(OCCOC(=O)C[C@@H]2Sc3ccccc3NC2=O)c1 12424849 VOBAFHVBOZRPOI-SFHVURJKSA-N 371.458 3.729 0 40 FHAB CCOc1cc(CNCc2ccccc2C)ccc1O[C@@H](C)C(=O)N(C)C 22782215 ZBRVBNPUKXMEJP-KRWDZBQOSA-N 370.493 3.539 0 40 FHAB Cc1ccccc1C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2C(=S)NCC(C)C 100426790 JDIHTPXCQWGHNX-ROUUACIJSA-N 373.566 3.641 0 40 FHAB O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)OCCO2 811708 IIOFZKGERFJWAE-UHFFFAOYSA-N 360.218 3.565 0 40 FHAB C[C@@]12CC3CC(C(=O)Nc4cccc(-c5nnn[nH]5)c4)(C1)C[C@@](C)(C3)C2 102608247 MCGRYYFWPHUMFL-LEVRYPNCSA-N 351.454 3.802 0 40 FHAB CC(=O)N(C)Cc1ccccc1NC(=O)c1cc(-c2ccccc2F)on1 47587660 UXBLAETUSNAALY-UHFFFAOYSA-N 367.380 3.711 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1OC 3172923 GALKKTMLMRGBPC-LZGFCCKTSA-N 358.463 3.937 0 40 FHAB COc1ccc(CN(C(=O)c2cc(=O)c3cc(C)ccc3o2)C2CC2)cc1 23925703 ITNSSHONGIBRDX-UHFFFAOYSA-N 363.413 3.915 0 40 FHAB CC1CCN(c2ncc(-c3ccccc3F)c(-c3nccn3C)n2)CC1 57775412 QVAVEWQMULXFQV-UHFFFAOYSA-N 351.429 3.920 0 40 FHAB CNC(=O)c1cc(Cl)ccc1NC(=O)c1ccccc1Br 58162502 OUBBQDFZTVGJMJ-UHFFFAOYSA-N 367.630 3.714 0 40 FHAB O=C(NC[C@@H]1COc2ccccc2O1)N1CCCCC[C@@H]1c1ccncc1 43078237 HYUKHBVORPPCDJ-QZTJIDSGSA-N 367.449 3.548 0 40 FHAB CCOCc1ccccc1CNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 24774074 LYOCNRJAAATAPF-FOIQADDNSA-N 366.461 3.748 0 40 FHAB COC(=O)[C@H](C)NC(=O)CC12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 100970397 ITIBVFBRXGCSPT-PCIKLCOZSA-N 355.478 3.592 0 40 FHAB Cc1cccc(NC(=O)c2cc3c([nH]c2=O)C[C@H](c2ccccc2)CC3=O)c1 8608698 VXOIBHQOXVHSHL-INIZCTEOSA-N 372.424 3.848 0 40 FHAB O=C(CSc1nc2ccsc2c(=O)[nH]1)Nc1cc(F)ccc1Cl 51317232 GJCPKUZSZCRWDX-UHFFFAOYSA-N 369.830 3.508 0 40 FHAB C[C@@H](NC(=O)c1ccc(-c2ccccc2F)s1)C(=O)N1CCCCC1 57225616 KWOWLNUKDOOAHO-CYBMUJFWSA-N 360.454 3.685 0 40 FHAB CCCN(CCC)C(=O)CSc1nc2ccsc2c(=O)n1CCC 57425157 UXDQPCRBDBACCL-UHFFFAOYSA-N 367.540 3.609 0 40 FHAB C[C@@H](c1ccc(F)cc1F)N1CCC(C(=O)Nc2nccs2)CC1 58162283 BFLAQFBOOSPXTR-NSHDSACASA-N 351.422 3.833 0 40 FHAB O=C1Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)c3cccc1c23 2184749 WUXRSBAXZPVARU-UHFFFAOYSA-N 358.806 3.860 0 40 FHAB O=C(O)c1cccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c1 3326945 QXNJZFDGPYJDDG-UHFFFAOYSA-N 369.398 3.978 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)Nc1nnc(-c2ccccc2)s1 10449336 NCAZBSJBKFQUOA-UHFFFAOYSA-N 353.403 3.505 0 40 FHAB COc1cc(C(=O)c2ccc(Br)cc2F)cc(OC)c1OC 115817373 AWGAKUPXBAXPQC-UHFFFAOYSA-N 369.186 3.845 0 40 FHAB C[C@H](Oc1ccc(F)cc1)C(=O)OCc1nnc(-c2ccc(F)cc2)o1 12734133 OUDROSGWQCCEFN-NSHDSACASA-N 360.316 3.526 0 40 FHAB Cc1noc(C)c1COC(=O)c1ccccc1NC(=O)Cc1ccccc1 3450828 XFRGAFGJTXJRDS-UHFFFAOYSA-N 364.401 3.830 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)Nc1cccc(CN2CCCC2=O)c1 62582042 SYNSRYCSROECKB-QGZVFWFLSA-N 365.477 3.952 0 40 FHAB C[C@@H](c1ccccc1)N(C)C(=O)CSc1nncn1-c1ccccc1F 8401639 KCBZDRZHEDTFDG-AWEZNQCLSA-N 370.453 3.718 0 40 FHAB CC(C)[C@H](NC(=O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(F)cc1 13008515 ZDJKYWLGGPUZGW-NRFANRHFSA-N 370.424 3.603 0 40 FHAB C[C@@H](Sc1nnc(CN2CCCC2=O)o1)c1ccc(OC(F)F)cc1 63414677 PVJCVKAPGLZWFP-SNVBAGLBSA-N 369.393 3.647 0 40 FHAB CC[C@@H](NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1)c1ccc(OC)cc1 63809034 PBGWILIEKDHFJX-OAHLLOKOSA-N 369.446 3.888 0 40 FHAB CN(C)C(=O)c1ccc(NC(=O)COc2cc(Cl)cc(Cl)c2)cc1 6001229 SNBGZHZJYSCAPE-UHFFFAOYSA-N 367.232 3.713 0 40 FHAB COc1ccc(OC)c(NC(=O)[C@H]2CC(/C=C/c3ccccc3)=NO2)c1 5347640 IVLBMWWDIRVSPZ-CSHXORCISA-N 352.390 3.501 0 40 FHAB Cc1ccc(N2CCN(C3=NC[C@H](Cc4ccccc4)S3)CC2)cc1 4615172 GTMJMWFLBDATGD-FQEVSTJZSA-N 351.519 3.831 0 40 FHAB COc1ccc(CNc2ncc(-c3ccc(F)cc3)n2C)c(OC)c1OC 4678507 YVETWSIELCFUOG-UHFFFAOYSA-N 371.412 3.864 0 40 FHAB Cc1cccc(-n2ccc(=O)c(C(=O)Nc3cccc(C(F)(F)F)c3)n2)c1 8917367 HOCGUVYGIOSYEE-UHFFFAOYSA-N 373.334 3.812 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)NC(C)(C)C)n1-c1ccccc1 5883247 WWTDKTVQGPUEBH-UHFFFAOYSA-N 370.478 3.843 0 40 FHAB Cc1cc(N2CCCC2)ccc1NC(=O)CSC(=S)N1CCCC1 15411744 MPDZNZRCABMQBZ-UHFFFAOYSA-N 363.552 3.648 0 40 FHAB CN(c1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl 7308531 VQMBOMKQLZOMEO-UHFFFAOYSA-N 360.660 3.928 0 40 FHAB Cc1cc(OCC(=O)N2CCCC[C@H]2CCN2CCCC2)ccc1Cl 15831524 KTSDOZMGXGWSDY-KRWDZBQOSA-N 364.917 3.894 0 40 FHAB O=C(COc1ccccc1F)Nc1nn2cc(-c3ccccc3)nc2s1 8156211 JVVGJTMCXZYFKB-UHFFFAOYSA-N 368.393 3.614 0 40 FHAB CCCCNc1nc(-c2ccc3c(c2)CCCN3S(C)(=O)=O)cs1 8209101 JLLYQAIPTZMXEZ-UHFFFAOYSA-N 365.524 3.734 0 40 FHAB Cc1ccc2nc(COC(=O)c3ccc(N4CCCCC4=O)cc3)cn2c1 8354010 BHVQSIFOUMXUMU-UHFFFAOYSA-N 363.417 3.517 0 40 FHAB Cc1ccc2occ(CC(=O)Nc3sc4c(c3C(N)=O)CCCC4)c2c1 9430803 WELIYBGBMWWXEV-UHFFFAOYSA-N 368.458 3.962 0 40 FHAB Cc1cccc(-c2nnc(S[C@@H](C(=O)N(C)C)c3ccccc3)n2C)c1 9500197 CLKYOBABYKOKIP-QGZVFWFLSA-N 366.490 3.712 0 40 FHAB c1ccc(-n2ncc3c(SCc4ccc5c(c4)OCO5)ncnc32)cc1 9548735 TZHUZYAYPMLKGX-UHFFFAOYSA-N 362.414 3.837 0 40 FHAB Cc1cc(CN2CCC(CN3CCCCC3=O)CC2)c2ccccc2n1 72663694 QZVADEBXGFIAIU-UHFFFAOYSA-N 351.494 3.768 0 40 FHAB O=C(c1c(O)cc(F)cc1F)N1CCC[C@@H](c2nc3ccccc3o2)C1 84600319 WTLZMOJRVCADNZ-LLVKDONJSA-N 358.344 3.831 0 40 FHAB O=C(c1ccc2[nH]c(=S)oc2c1)N(C[C@H]1CCCO1)[C@H]1CCSC1 73424987 TVGLBNMRZTYEDX-QWHCGFSZSA-N 364.492 3.617 0 40 FHAB CCn1c([C@@H]2CCCN(C(=O)C[C@@H]3CCC[C@H](C)C3)C2)n[nH]c1=S 78622253 CUSIXJUCROFWJL-RRFJBIMHSA-N 350.532 3.883 0 40 FHAB CCC[C@@H]1CCc2c(sc(=O)n2CC(=O)N2[C@@H](C)CCC[C@@H]2C)C1 95959076 HVFMIGBMWIJRNM-SOUVJXGZSA-N 350.528 3.604 0 40 FHAB CCc1noc(C2CCC(NCc3nccn3Cc3ccccc3)CC2)n1 95996342 NAAPJJCWGWDWEN-UHFFFAOYSA-N 365.481 3.693 0 40 FHAB NC(=O)CCN(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1 20119703 KDJZIWPTRWHEIF-UHFFFAOYSA-N 358.441 3.871 0 40 FHAB CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1)S(C)(=O)=O 20458304 HFMGVEBWILWDNI-INIZCTEOSA-N 374.506 3.580 0 40 FHAB CN(C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)C1CCCC1 510024951 YJTDVMVRNNGUNA-MRXNPFEDSA-N 367.287 3.817 0 40 FHAB O=C(O)c1sc2sc(C(=O)O)c(-n3cccc3)c2c1-n1cccc1 3850805 LLCMHXZZYAWUGF-UHFFFAOYSA-N 358.400 3.941 0 40 FHAB biogenic O=C(CCCn1cccc1)N(CC1CC1)C[C@@H]1CCCN2CCCC[C@H]12 524731616 DXTLZPWNHOQVAC-LEWJYISDSA-N 357.542 3.771 0 40 FHAB biogenic C[C@H](Cc1ccccc1Cl)NC(=O)c1c(C(F)F)nc2cnccn12 1533949765 UTPMBCFRUVCDQG-SNVBAGLBSA-N 364.783 3.681 0 40 FHAB c1ccc([C@H]2CN(CC3CC3)Cc3cnc(Nc4cccnc4)nc32)cc1 306136311 PPRLEBZDZMSIHX-HXUWFJFHSA-N 357.461 3.973 0 40 FHAB CCCCc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1C 408561579 JYLLJKGDRSLGHJ-UHFFFAOYSA-N 372.416 3.907 0 40 FHAB COc1cccc2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)oc12 73895589 KBVBSILBPZRWIH-UHFFFAOYSA-N 352.390 3.530 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1cccc(Br)n1 72203341 OSIGMSMZJUWAJD-LLVKDONJSA-N 356.264 3.656 0 40 FHAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1cccnc1N1CCCC1 47225989 IYVVLLWWSSNHAZ-UHFFFAOYSA-N 368.462 3.888 0 40 FHAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCCCN1CCCC1 44900381 MZDDLJZQOVKAEJ-UHFFFAOYSA-N 361.338 3.829 0 40 FHAB CCCOc1c(Cl)cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OCC 48323942 WLJSSEJZVOPOJU-CHWSQXEVSA-N 355.862 3.777 0 40 FHAB CSCC[C@@H](C(=O)NCCc1nc(C(C)C)cs1)n1cccc1 575444528 SRYUEIQUQYWCSE-HNNXBMFYSA-N 351.541 3.721 0 40 FHAB COc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1C 223083482 YEARRXNUEHCGLY-UHFFFAOYSA-N 354.450 3.729 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)Nc1nnc(SCC(C)C)s1 222608055 GNVZDBIHFKGUPQ-NSHDSACASA-N 367.496 3.701 0 40 FHAB Cc1ccccc1-c1noc(CN(C)C(=O)Cc2cccc(Cl)c2)n1 225850002 BWGYSYUVVHAIQH-UHFFFAOYSA-N 355.825 3.900 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 223592042 FGRJBEJDFVNATC-INIZCTEOSA-N 372.896 3.744 0 40 FHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1 225013555 IYIDATYROQGQDZ-RBUKOAKNSA-N 366.505 3.870 0 40 FHAB COc1ccccc1OC[C@@H](C)NC(=O)Cc1ccc(Cl)cc1F 224802915 MGRPBXYOJFMBRY-GFCCVEGCSA-N 351.805 3.614 0 40 FHAB Cc1ccccc1CN1CCC(C(=O)NCCOc2ccc(F)cc2)CC1 224527769 IWAKXUCBDLYXFH-UHFFFAOYSA-N 370.468 3.541 0 40 FHAB O=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(Br)c(F)c1 95067863 HSBGQMNAIAKTIM-UHFFFAOYSA-N 366.158 3.667 0 40 FHAB COc1cc(NC(=O)c2nc(C)sc2C)ccc1-n1nc(C)cc1C 95479493 JGIVMGAZAARBKE-UHFFFAOYSA-N 356.451 3.823 0 40 FHAB Cc1ccc(CN2CCCC3(CCN(Cc4cnn(C)c4)CC3)C2)cc1 96047375 MMIASXJSMNJWDG-UHFFFAOYSA-N 352.526 3.607 0 40 FHAB CC(C)CC(=O)N1CCC(CNc2ccccc2O[C@H]2CCOC2)CC1 585080781 SCZAYUFCCXWJJQ-SFHVURJKSA-N 360.498 3.551 0 40 FHAB Cn1cc([C@@H]2CCCCN2C(=O)c2ccc(O[C@H]3CC3(F)F)cc2)cn1 529096948 LHIPWMXWUHMULQ-IRXDYDNUSA-N 361.392 3.574 0 40 FHAB C[C@@]1(c2cc[nH]n2)CCCN(Cc2ccc(-c3ccccc3C(=O)O)o2)C1 257303519 SHODUFAKARSSEX-OAQYLSRUSA-N 365.433 3.922 0 40 FHAB CC(C)(C)CNc1cc(-c2c[nH]nc2[C@H]2CCN(C(=O)C3CC3)C2)ccn1 257341623 ZLDHIZCMSYMEEB-INIZCTEOSA-N 367.497 3.656 0 40 FHAB CC(C)Cn1cc(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cn1 608334753 UKWQOFZDEMZUDW-SFHVURJKSA-N 369.513 3.667 0 40 FHAB Cc1cc(C(=O)N2CC3(C[C@@H](OCc4cccnc4)CS3)C2)sc1C 251999732 MAUKEYRNYPGBJL-MRXNPFEDSA-N 374.531 3.677 0 40 FHAB O=C(c1cncnc1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257302299 SCJSMMXKPQRJHW-SFHVURJKSA-N 366.396 3.562 0 40 FHAB Cc1cc([C@H]2CCCCN2Cc2cnccn2)nc(-c2c(C)noc2C)n1 257250667 JNMJQBZQNLQJDR-GOSISDBHSA-N 364.453 3.574 0 40 FHAB CC(C)(C)c1nc(C(=O)N2CCC(Oc3ncccc3F)CC2)cs1 278519641 KXNQSVBGPSEMRX-UHFFFAOYSA-N 363.458 3.658 0 40 FHAB COc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)c(OC)cc1Cl 1615547404 TXUUMAKSIAFFCE-UHFFFAOYSA-N 362.234 3.811 0 40 FHAB CC1=CC(C)(C)N2C(=O)[C@](O)([C@@H]3CC[C@H](C)CC3=O)c3cc(C)cc1c32 1740816386 BRGARNQFWTWYJT-OLZZKDKNSA-N 353.462 3.730 0 40 FHAB CO[C@](C)(CNS(=O)(=O)c1ccccc1Cl)c1cccc(Cl)c1 96392834 WFUMSLYPGQEDJD-MRXNPFEDSA-N 374.289 3.834 0 40 FHAB Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H](C)c1ccc(F)cc1F 55004864 LIDDJASMAQEPHH-VIFPVBQESA-N 360.389 3.678 0 40 FHAB Clc1cc(I)cc(I)c1 91675930 FHLHKJYIKHMTGC-UHFFFAOYSA-N 364.351 3.549 0 40 FHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@H](c2nnc3n2CCCCC3)C1 105676180 QBDMJGWZBVOBEO-XLAORIBOSA-N 356.514 3.537 0 40 FHAB Cc1ccc(CN2CCC[C@@]3(CC2)CN(c2cccc(F)c2)C(=O)CO3)o1 1615118261 BNBRIRPQQZEBAK-OAQYLSRUSA-N 372.440 3.515 0 40 FHAB CCc1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1CC 13992488 CTERKLVKKMGDDM-UHFFFAOYSA-N 359.282 3.898 0 40 FHAB COc1cc(C)c(NC(=O)/C=C/c2c(Cl)nc3ccccn23)cc1OC 15948742 FVUYJXRNVZFABC-BQYQJAHWSA-N 371.824 3.965 0 40 FHAB CN1CCc2nc([C@H]3CCCCN3CCCc3ccccc3)ncc2C1 19590311 HTIAXXZBEGUVBM-OAQYLSRUSA-N 350.510 3.624 0 40 FHAB CC(C)C(=O)N1CCC(CC(=O)NCC2(c3ccccc3)CCCC2)CC1 19748234 UWHPRKSANMKUKV-UHFFFAOYSA-N 370.537 3.899 0 40 FHAB Cc1ccccc1NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O 19937592 RNPCUMWMJFFKOX-UHFFFAOYSA-N 353.809 3.580 0 40 FHAB COc1cc(CNC(=O)c2c(C(F)(F)F)ccnc2Cl)cc(OC)c1 2577958 AVARHJAFEYMPIB-UHFFFAOYSA-N 374.746 3.701 0 40 FHAB CN1CCOc2ccccc2CCCCC2(CCN(CC3CC3)CC2)C1=O 643565167 FETFLADCCWNARY-UHFFFAOYSA-N 370.537 3.742 0 40 FHAB COCCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccncc1 3444943 HADZFUYLKWYUCT-UHFFFAOYSA-N 360.870 3.932 0 40 FHAB CC(C)c1noc(CN2CCN(c3cccc(Cl)c3Cl)CC2)n1 1888878926 AHRMRBFDVVSWTD-UHFFFAOYSA-N 355.269 3.822 0 40 FHAB Cc1c(NC(=O)c2cc(Cl)nc(C3CC3)c2)nnn1-c1ccc(F)cc1 1287319351 MPYBAPVWLWGAAB-UHFFFAOYSA-N 371.803 3.893 0 40 FHAB OC1(c2ccc(Cl)cc2)CCN(c2nccn3nc(C4CC4)cc23)CC1 2087023436 KRDUSSNANNATKQ-UHFFFAOYSA-N 368.868 3.748 0 40 FHAB CCOC(=O)c1sc(NC(=O)c2ccc(Br)cc2)nc1C 1518177 WKIKZUDDNOJNPU-UHFFFAOYSA-N 369.240 3.643 0 40 FHAB Cc1nc2scc(C)n2c(=O)c1NC(=O)c1ccc(C(C)(C)C)cc1 8931771 BPMALZBKZTZWGY-UHFFFAOYSA-N 355.463 3.923 0 40 FHAB O=C(Nc1ccccc1)Nc1nc(C(=O)N2CCc3ccccc32)cs1 9317217 RDBUSWUIMBJDDU-UHFFFAOYSA-N 364.430 3.990 0 40 FHAB COc1ccccc1-c1nnc(SC2=CS(=O)(=O)c3ccccc32)o1 9614899 KVWGSPUFQXBBEU-UHFFFAOYSA-N 372.427 3.623 0 40 FHAB Cn1nc(-c2ccc(NC(=O)c3cccc4ccccc34)cc2)ccc1=O 10325234 ZMFNCKQSNCZHDA-UHFFFAOYSA-N 355.397 3.853 0 40 FHAB COC(=O)c1ccc2c(=O)n(C[C@H](C)c3ccccc3)c(=S)[nH]c2c1 17113816 MGGWXYYZUWNLJD-LBPRGKRZSA-N 354.431 3.649 0 40 FHAB COc1ccc(F)cc1S(=O)(=O)N1[C@H]2CC[C@H]1CC(=C1CCC1)C2 1775972632 OHFRTNGNGCDGJJ-HOTGVXAUSA-N 351.443 3.630 0 40 FHAB COc1cc(NC(=O)NCCCN2CCCC[C@H]2C)c(OC)cc1Cl 40023970 MQCYSTIGVABESI-CYBMUJFWSA-N 369.893 3.743 0 40 FHAB COc1ccc(CCNC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)cc1 40160440 ZSDACYZSFOYFRD-CQSZACIVSA-N 369.490 3.725 0 40 FHAB COc1cc(OC)cc(-c2nn3c(Cc4ccc(F)cc4)nnc3s2)c1 40284795 ZEAXQEHXYKPIQF-UHFFFAOYSA-N 370.409 3.600 0 40 FHAB Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccc2c(c1)OCO2 7753926 CZNPRZDYHHUPDV-UHFFFAOYSA-N 358.444 3.839 0 40 FHAB COc1ccc(CN(C)c2nc3cc(C)nn3c3ccccc23)cc1OC 7777086 AITIKBUHOUPLQN-UHFFFAOYSA-N 362.433 3.845 0 40 FHAB CN(C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccccc1 826175 PPEZJPUEOJQCAB-UHFFFAOYSA-N 356.381 3.764 0 40 FHAB CCc1cccc(C)c1NC(=O)Cn1c(-c2ccc(Cl)cc2)noc1=O 1332603 ZAZNWIXKBPGSIU-UHFFFAOYSA-N 371.824 3.666 0 40 FHAB O=C(O[C@@H](C(=O)NCc1ccco1)c1ccccc1F)c1cccs1 1381277 PIWLNXUHWLHQNT-MRXNPFEDSA-N 359.378 3.695 0 40 FHAB CCCN(CCC)C(=O)CSc1nnc(CCc2ccccc2)n1CC 6654589 HUKYVAZFJIUVBU-UHFFFAOYSA-N 374.554 3.824 0 40 FHAB COc1cc(OC)c(OC)cc1CNC(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1 16234316 HOFJWHMTNJXKFT-BHDDWZGFSA-N 371.433 3.758 0 40 FHAB CN(c1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O 8091338 MRXNIUZIFHBFEB-UHFFFAOYSA-N 373.261 3.642 0 40 FHAB CCc1cc2c(N3CCC(NC(=O)OC(C)(C)C)CC3)ncnc2s1 52450473 ZDPQQGRMCQPPLP-UHFFFAOYSA-N 362.499 3.747 0 40 FHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)[C@H](C)c1ccc(F)cc1 32842986 GVBGXVDYAIGGPF-LSDHHAIUSA-N 358.413 3.660 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCC(c3ccccc3)CC2)c1C 32909439 LORVTWUJHMGHQH-UHFFFAOYSA-N 368.477 3.871 0 40 FHAB O=C(NCc1cccnc1Oc1cccc(F)c1)c1ccc2c(c1)OCO2 32924731 XZOOJVQTGNNIAD-UHFFFAOYSA-N 366.348 3.672 0 40 FHAB O=C(CSc1nnc(NCc2ccccc2)s1)NCc1ccccc1 2657459 MIJIHXICTRSNMT-UHFFFAOYSA-N 370.503 3.559 0 40 FHAB COc1ccc([C@H]2Nc3nonc3N=C3CC(C)(C)CC(O)=C32)cc1OC 102742059 ICSSJJHZABFOJP-MRXNPFEDSA-N 370.409 3.958 0 40 FHAB C[C@@H](OC(=O)CCc1nc2ccccc2s1)C(=O)Nc1ccccc1 2625404 JXOLPLFKPLRBGK-CYBMUJFWSA-N 354.431 3.799 0 40 FHAB CCOc1cccc(/C=C2\NC(=S)N(c3cccc(C)c3C)C2=O)c1O 9953157 VMYVJUUBAOSABV-PTNGSMBKSA-N 368.458 3.670 0 40 FHAB O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1cc(Cl)c2c(c1)OCCO2 22763700 WBZDDXHIOJPAEY-ZYHUDNBSSA-N 363.763 3.962 0 40 FHAB CCOc1cc2c(cc1CNC[C@@H](c1ccco1)N1CCCC1)O[C@@H](C)C2 22933810 CUOMTNSDJHCUTN-LPHOPBHVSA-N 370.493 3.928 0 40 FHAB CCOc1ccc(-c2n[nH]c3c2CN(C(=O)CCc2ccco2)CC3)cc1 23380290 GYEICWBDTUGECV-UHFFFAOYSA-N 365.433 3.586 0 40 FHAB CSCC[C@@H](NC(=O)Nc1cccc(C)c1)c1nnc2ccccn12 12230503 HBZTXCWDSUKWNZ-OAHLLOKOSA-N 355.467 3.654 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)CCCc1cccs1)c1cccc(F)c1 23779849 BDLALKNZUWBCPW-SFHVURJKSA-N 357.454 3.849 0 40 FHAB COc1ccc(Cn2c(S[C@@H](C)C(C)=O)nc3ccccc3c2=O)cc1 24458201 FFHYZQFHFFJTIG-AWEZNQCLSA-N 368.458 3.523 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 20042746 IVWPJLCZKUPJAZ-UONOGXRCSA-N 363.841 3.700 0 40 FHAB Cc1cc(CN(C)C(=O)CCc2ncc(-c3c(F)cccc3F)o2)no1 25138084 XYPIZVKZNUQKCG-UHFFFAOYSA-N 361.348 3.507 0 40 FHAB CC(=O)Nc1cccc2c1CCN(C(=O)N[C@@H](C)c1ccc(F)cc1)C2 56352479 VWYYJINRQOPDSL-ZDUSSCGKSA-N 355.413 3.613 0 40 FHAB COc1ccc(NS(=O)(=O)c2ccc(C)cc2Br)cc1F 37575702 JPFAMHJCTOCYDL-UHFFFAOYSA-N 374.231 3.706 0 40 FHAB FC(F)(F)c1cc(NCc2nnnn2-c2ccccc2)ccc1Cl 58029308 WDGFFLBJXKVPEG-UHFFFAOYSA-N 353.735 3.947 0 40 FHAB Cc1ccc(CCC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)cc1 12531820 BYBLRIDPLAYFOQ-FQEVSTJZSA-N 351.425 3.706 0 40 FHAB CSc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cc1 27684335 BIHNHZHWLJHBRB-ZDUSSCGKSA-N 371.458 3.978 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CNC(=S)NCCc1ccccc1 8150425 KLYUEADECITAIE-UHFFFAOYSA-N 364.518 3.696 0 40 FHAB COc1cc(CS[C@H](C)C(=O)NC2CCCC2)ccc1OC(F)F 45090324 XLNYSBXOEMXVST-LLVKDONJSA-N 359.438 3.977 0 40 FHAB COc1ccc2ccc(OC(=O)c3ccc(N4CCOCC4)cc3)cc2c1 58440446 XXMPRMJDXXLKHG-UHFFFAOYSA-N 363.413 3.904 0 40 FHAB O=C(NCCc1ccc(F)cc1)N1CCN(c2cccc(Cl)c2)CC1 12639582 KJGCFFXROYQWEC-UHFFFAOYSA-N 361.848 3.553 0 40 FHAB COc1ccc(C2=N/C(=C\c3cn(C)c4ccccc34)C(=O)O2)cc1OC 12664641 FGYAMGKZRAUCIR-YBEGLDIGSA-N 362.385 3.540 0 40 FHAB biogenic CCN(CC)c1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)=O)cc1 3396426 LYZQSUNJVDJTMQ-UHFFFAOYSA-N 368.433 3.531 0 40 FHAB O=C(Nc1ccc2c(c1)CCC2)[C@H]1CCCCN1C(=O)c1cccs1 12745062 DBLIHIPHYAUKDB-QGZVFWFLSA-N 354.475 3.870 0 40 FHAB O=C(NCc1cccnc1OC1CCCC1)c1ccc(-n2cccn2)cc1 48236791 ADCNHLITTPLUDB-UHFFFAOYSA-N 362.433 3.519 0 40 FHAB CC(C)CNc1nc(-c2ccc3c(c2)CCCN3S(C)(=O)=O)cs1 8208702 INUGSIVTYVNOJD-UHFFFAOYSA-N 365.524 3.590 0 40 FHAB CC(=O)Nc1cccc(C(=O)Oc2ccc(Br)cc2F)c1 3413287 KNTXFMFFJWICDS-UHFFFAOYSA-N 352.159 3.766 0 40 FHAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)Nc1c(F)cccc1F 3406567 YBICSWFXMUNIHU-UHFFFAOYSA-N 371.339 3.577 0 40 FHAB Cc1sc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)nc1-c1ccccc1 3900030 HJTPEEIPSKHVBJ-BARDWOONSA-N 354.431 3.580 0 40 FHAB Cc1ccc(NC(=O)CNc2ccccc2N2CCOCC2)c(Cl)c1 8344339 DAEBDFOHTHWVIN-UHFFFAOYSA-N 359.857 3.536 0 40 FHAB COc1cc(OC)c([C@H]2NCc3ccccc3-n3cccc32)cc1OC 4188224 LAQJUHMDPHSQLP-OAQYLSRUSA-N 350.418 3.696 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C)cc1F 5100452 YFMMVPMJNXBVJD-UHFFFAOYSA-N 362.455 3.722 0 40 FHAB O=C1NC2(CCCC2)C(=O)N1c1c(-c2ccccc2)c2ccccc2[nH]c1=O 13988301 LITUEQLKECEFCW-UHFFFAOYSA-N 373.412 3.564 0 40 FHAB CN(Cc1c(F)cccc1Cl)C(=O)c1cccc(CN2CCCC2=O)c1 29764131 AIIRHYZIGWKTIA-UHFFFAOYSA-N 374.843 3.874 0 40 FHAB Cn1c(S[C@H](C(=O)N2CCCC2)c2ccccc2)nnc1-c1ccco1 5505510 WTZAFYJZLCPLTJ-INIZCTEOSA-N 368.462 3.531 0 40 FHAB CC(C)[C@H](NC(=O)COc1ccccc1F)c1ccc2c(c1)OCCCO2 6790011 GHPMDIPSFGROFB-NRFANRHFSA-N 373.424 3.879 0 40 FHAB COc1ccc2[nH]cc(C(=O)c3cccc(Br)c3)c(=O)c2c1 67172452 BBHRKIRLGZNWAQ-UHFFFAOYSA-N 358.191 3.530 0 40 FHAB CCc1cc2c(CSc3nnc(-c4ccco4)o3)cc(=O)oc2cc1O 5938445 QCISOJHUOQKAJJ-UHFFFAOYSA-N 370.386 3.996 0 40 FHAB CCCC(=O)Nc1ccc(C(=O)COC(=O)CCc2ccccc2)cc1 7091123 SRKSPTLEIBHSHE-UHFFFAOYSA-N 353.418 3.784 0 40 FHAB COc1ccc(CCN(C)C(=O)/C=C/c2nc3ccccc3o2)cc1OC 8753800 NVGXKFNOJIFJLJ-ZHACJKMWSA-N 366.417 3.559 0 40 FHAB CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)cc1 7235928 BKXJMJJCJYNSBR-UHFFFAOYSA-N 370.453 3.914 0 40 FHAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)cc1C 7382000 IORQGVUQKWKPNZ-UHFFFAOYSA-N 374.231 3.706 0 40 FHAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3nc(C)c(C)s3)n2)cc1 7341976 WJTBCVHFVHUEIN-UHFFFAOYSA-N 359.480 3.584 0 40 FHAB O=C(CN(Cc1ccco1)C(=O)c1cccc(F)c1)Nc1ccccc1 8937515 ALXGDOOYINVNEO-UHFFFAOYSA-N 352.365 3.700 0 40 FHAB Cc1ccc(-c2csc3ncn(CC(=O)N4CCCCC4)c(=O)c23)s1 7671923 GBZZSDJIRBWVQY-UHFFFAOYSA-N 373.503 3.507 0 40 FHAB Cc1cc(C)c(NC(=O)CN(C)Cc2nc(-c3cccs3)no2)c(C)c1 9691767 ADRZOYYIPVKNQM-UHFFFAOYSA-N 370.478 3.794 0 40 FHAB Cc1nc2cc(C(=O)Nc3nc4c(s3)C(=O)CC(C)(C)C4)ccc2n1C 84287070 LICAKLICSWGFNM-UHFFFAOYSA-N 368.462 3.746 0 40 FHAB CCOC(=O)[C@@H](NC(=O)CCc1nc(C)c(-c2ccccc2)o1)[C@@H](C)CC 72303233 GJTAJQXGLVCCQE-LIRRHRJNSA-N 372.465 3.677 0 40 FHAB Cc1nc2ncnn2c(Oc2ccc(-n3ncc4ccccc43)cc2)c1C 543047834 DKHPXSONDNJNRS-UHFFFAOYSA-N 356.389 3.872 0 40 FHAB Cc1ccccc1Cc1nnc(CN2C[C@@H](C)Oc3cc(F)ccc32)o1 95966275 KFNZBNMGGPXPRN-CQSZACIVSA-N 353.397 3.895 0 40 FHAB Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NCCc1ccccn1 75093707 NXXMXRHTJMKSBF-UHFFFAOYSA-N 368.868 3.569 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)[C@H](c1cccc(F)c1)N1CCOCC1 75147580 SIMLOTGHEOOLAK-SFHVURJKSA-N 362.832 3.800 0 40 FHAB O=C(Cc1ccc(Br)cc1)Nc1ccc(Br)cn1 21001720 YTJWITJBXDIIQG-UHFFFAOYSA-N 370.044 3.788 0 40 FHAB CCn1cc(C(=O)Nc2c(F)cccc2F)c(=O)c2cc(OC)ccc21 22235800 VOQWYOOATHGQEN-UHFFFAOYSA-N 358.344 3.561 0 40 FHAB NC(=O)c1c(NC(=O)Nc2ccc(F)cc2F)sc2c1CCCC2 28228138 STAKQCVSRAANCQ-UHFFFAOYSA-N 351.378 3.648 0 40 FHAB O[C@@H](Cc1cccc(Cl)c1)CN1CCC(c2c[nH]c3ncccc23)CC1 515064876 GTECUROYXPSSSB-SFHVURJKSA-N 369.896 3.999 0 40 FHAB CCOc1cc(C(N)=O)cc(Br)c1OCc1ccccc1F 216835570 HLSQLKJHRRUEGE-UHFFFAOYSA-N 368.202 3.665 0 40 FHAB O=C(NC1CCCC1)c1cc([C@H]2CCCCN2Cc2ccccc2)n[nH]1 72380492 LARPRCYYKBBJQR-HXUWFJFHSA-N 352.482 3.809 0 40 FHAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 222818427 DUGVFTPLYIFLSJ-MOPGFXCFSA-N 363.490 3.648 0 40 FHAB S=C(NCC1(c2cccc(Cl)c2)CCOCC1)Nc1ccncc1 224021750 FQDSYZOFHYSUSC-UHFFFAOYSA-N 361.898 3.770 0 40 FHAB O=C(NCC[C@H](O)c1cccc2ccccc12)Nc1ccc2c(c1)OCO2 77119050 YPTNNTNIGJSJKB-SFHVURJKSA-N 364.401 3.814 0 40 FHAB COc1ccc(CC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1C 223121051 OWADJKNMNQDLIY-UHFFFAOYSA-N 352.434 3.620 0 40 FHAB COC(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1cccc2ncccc12 75165747 YGWFFHXNDQOFAQ-IBGZPJMESA-N 361.401 3.539 0 40 FHAB CCOc1ccc(C(=O)N[C@H](C)COC)cc1COc1ccccc1C 224379657 LLXZMGFWVIMVIB-MRXNPFEDSA-N 357.450 3.737 0 40 FHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 222569610 YVIGIWKVLIXISN-INIZCTEOSA-N 372.896 3.663 0 40 FHAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1 225168663 BNNQJTJTDZPZOY-KRWDZBQOSA-N 370.468 3.702 0 40 FHAB O=C(O)c1ccc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)cc1Cl 137525245 KNBYURLVZMBSKE-UHFFFAOYSA-N 360.709 3.945 0 40 FHAB CC(C)CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 222837316 NCNPSHFFKOKLKJ-OAHLLOKOSA-N 352.906 3.875 0 40 FHAB c1ccc(CN[C@@H]2CC3(CCN(CC4CC4)CC3)Oc3ccccc32)nc1 96242809 XUQHUQVLGGJXNS-OAQYLSRUSA-N 363.505 3.940 0 40 FHAB c1csc(CN2Cc3cccn3[C@H](CCOCC3CCOCC3)C2)c1 253588834 VEYZADMTSJRKEO-LJQANCHMSA-N 360.523 3.940 0 40 FHAB CC(C)(C)C(=O)N1CC[C@@H](Cc2cccc(-c3ccc(C(=O)O)cc3)n2)C1 257343414 ZSXGXPQXHZZMCL-HNNXBMFYSA-N 366.461 3.884 0 40 FHAB CCn1cc(C(=O)Nc2cc([C@@H]3CCCOC3)nn2C)c2ccccc21 279316780 MQVHFANSGPPZRX-CQSZACIVSA-N 352.438 3.541 0 40 FHAB NC(=O)/C=C/c1cc(Br)ccc1OCc1ccc(F)cc1 1615892582 ZBKZDZQONHZTPR-FPYGCLRLSA-N 350.187 3.666 0 40 FHAB C[C@H](CC(=O)O)CC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 630298280 DEQSRXUVRVQKBW-HZMBPMFUSA-N 372.234 3.753 0 40 FHAB CC(C(=O)N1CCC(N(C)C(=O)c2sc(C)cc2C)CC1)=C1CCC1 1775996833 KBDGZBLJRMUPKV-UHFFFAOYSA-N 360.523 3.928 0 40 FHAB O=S(=O)(NCc1ccc(-c2ccoc2)cc1)c1cccc2cccnc12 390831206 QLEUWVDJSLAURQ-UHFFFAOYSA-N 364.426 3.973 0 40 FHAB Cc1noc(C)c1C(=O)Nc1ccccc1Cc1nc(-c2ccco2)no1 96357862 IDDNNBQSHINGHN-UHFFFAOYSA-N 364.361 3.778 0 40 FHAB O=C(O)Cc1cccc(C(=O)N2CC3(CCCC3)c3c(F)cccc32)c1 653640186 ZVCQBIGCDFGDSS-UHFFFAOYSA-N 353.393 3.925 0 40 FHAB Cc1ccc(CN2C(=O)[C@@H](N3CCSC3=O)[C@@H]2c2ccsc2)cc1 58175558 OCGSXTGHEAJJKU-HOTGVXAUSA-N 358.488 3.677 0 40 FHAB O=C([C@H](Oc1cccc(Cl)c1Cl)c1ccccc1)N1CCOCC1 5466072 SWPNHTFYTGJWLY-QGZVFWFLSA-N 366.244 3.972 0 40 FHAB Cc1cnc(-c2nc(C3CCN(Cc4ccc(C)s4)CC3)no2)cn1 12187337 JREATLMQJVFHQD-UHFFFAOYSA-N 355.467 3.585 0 40 FHAB Cc1cccc(OCC(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)c1 12780442 LLDHJAZAGUTZRL-UHFFFAOYSA-N 363.461 3.835 0 40 FHAB CCc1ccc(OCC(=O)NCc2ccc(CN3CCCC3)cc2)cc1 15140033 LUOQMZJGQVZHOO-UHFFFAOYSA-N 352.478 3.540 0 40 FHAB O=C1c2cccc3c(NCCO)ccc(c23)C(=O)N1c1ccccc1Cl 18996205 RTJPGJVEGLLSLO-UHFFFAOYSA-N 366.804 3.698 0 40 FHAB CCn1cnc2cc(NC(=O)c3cc(C)nc4c3cnn4C(C)C)ccc21 19578270 YHRLPWXRJIKZNC-UHFFFAOYSA-N 362.437 3.943 0 40 FHAB Cc1c([C@@H](C)NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cnn1C 19718305 XZMUGDCPPSEBON-CQSZACIVSA-N 371.444 3.830 0 40 FHAB CCC(=O)N1CCN(CC)C(=O)[C@H](Cc2cccc(-c3ccccc3)c2)C1 19498919 CWQZPWQTPYBGDW-OAQYLSRUSA-N 364.489 3.613 0 40 FHAB O=C(NCc1ccc(Cn2ccnc2)cc1)c1csc(-c2ccco2)n1 30216760 OYFYQQXJBVTTJC-UHFFFAOYSA-N 364.430 3.578 0 40 FHAB COCc1cc(C)nc2sc(-c3cn(-c4ccccc4)nn3)c(N)c12 78546613 MTFMINWIRLKDGQ-UHFFFAOYSA-N 351.435 3.581 0 40 FHAB O=S(=O)(c1cccc2ccccc12)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1565519929 VOVFEZRKPWJXMV-IRXDYDNUSA-N 367.474 3.593 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)N1CCN=C1SCc1ccccc1F 4120554 GWZUWMURDPCBTJ-CQSZACIVSA-N 358.438 3.725 0 40 FHAB COc1ccccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(C)C 9137651 NLAAIGMXMLJGRM-UHFFFAOYSA-N 352.434 3.883 0 40 FHAB CCOc1ccc2nc(NC(=O)Cc3ccc4c(c3)OCO4)sc2c1 9521195 WTHKIRBGXCLBJG-UHFFFAOYSA-N 356.403 3.605 0 40 FHAB CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nc2ccsc2c1=O 105834321 QCAMTIXQKXKGEJ-UHFFFAOYSA-N 373.503 3.826 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(-c2cccs2)o1 575609127 OZFRJUIYYJJXSQ-UHFFFAOYSA-N 351.424 3.934 0 40 FHAB COc1cc2c(c(NC(=O)/C=C/c3ccccc3Cl)c1OC)C(=O)OC2 12419657 RLKUKIFLNNAKDE-BQYQJAHWSA-N 373.792 3.680 0 40 FHAB biogenic,in-vitro O=C(Nc1cccnc1)c1ccc(NC(=O)c2c(F)cccc2F)cc1 24907831 NRFGKFFVTOSEGF-UHFFFAOYSA-N 353.328 3.864 0 40 FHAB O=C(Nc1ccccc1-n1cccn1)c1cccc(OC[C@H]2CCCO2)c1 40088395 AFCKQRAEERKDQT-GOSISDBHSA-N 363.417 3.682 0 40 FHAB O=C(Cn1nnc2ccccc21)N[C@H](c1ccc(F)cc1)C1CCCC1 40117428 SODQCMPVRHDSFQ-FQEVSTJZSA-N 352.413 3.618 0 40 FHAB O=C1NCCN1c1cccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c1 40108530 KZKIJXAAIVYZLN-UHFFFAOYSA-N 367.424 3.806 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)c3cc(C(C)C)n(C(C)(C)C)n3)ccc21 40141428 YPMMVXCGCDXJRW-UHFFFAOYSA-N 368.481 3.923 0 40 FHAB O=C(CCNC(=O)c1ccco1)N[C@@H](c1ccc(F)cc1)C1CCCC1 40117378 SQOJUSHYCGYJAQ-LJQANCHMSA-N 358.413 3.586 0 40 FHAB CC[C@@H](C)Cn1c(O)cc2nn(-c3nc4ccccc4s3)c(=O)c-2c1C 100161788 GAEWOOZKUROAPV-LLVKDONJSA-N 368.462 3.809 0 40 FHAB CCOC(=O)c1c(CSc2nc(CC)n[nH]2)nc2ccccc2c1C 31173101 ZHQBNGQHKNBDRJ-UHFFFAOYSA-N 356.451 3.693 0 40 FHAB CCN(Cc1cc(C(C)=O)ccc1OC)C[C@H]1COc2ccccc2O1 36726036 AMOYCHIMUKOJLF-SFHVURJKSA-N 355.434 3.560 0 40 FHAB COc1cc(-c2cc(=NC[C@@H]3CCCO3)c3ccccc3o2)ccc1O 937844 HGPDZYFENFMJGK-HNNXBMFYSA-N 351.402 3.894 0 40 FHAB biogenic,in-vitro CC(=O)N(Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 1359649 BTOSPEKQKDEJBB-UHFFFAOYSA-N 352.409 3.833 0 40 FHAB COc1ccc(C(=O)N2CCC[C@H](c3nc(-c4cccs4)no3)C2)cc1 1364520 KHQSNMAKMCKHIA-AWEZNQCLSA-N 369.446 3.827 0 40 FHAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)NC1CCCCC1 2621426 IZSVBNUHEHLKKZ-UHFFFAOYSA-N 356.495 3.686 0 40 FHAB CCCCC(=O)NCCNc1nc(CC)nc2sc3c(c12)CCCC3 4848596 FONOLGUZZHKHJT-UHFFFAOYSA-N 360.527 3.851 0 40 FHAB CCOc1ccccc1NC(=S)NC1C[C@@H]2CCC[C@H](C1)N2C1CC1 4857018 AJUVTTRWDGSBFI-ZXFUBFMLSA-N 359.539 3.920 0 40 FHAB CCc1ccc(OCC(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 7759587 XBXXSSRKNOEESK-UHFFFAOYSA-N 365.433 3.645 0 40 FHAB Cc1ccc(CN(C)C(=O)CSc2nc(-c3cccs3)n[nH]2)c(C)c1 7829407 KYGUAUQZKIBWPS-UHFFFAOYSA-N 372.519 3.901 0 40 FHAB O=C1C[C@H](C(=O)N2CCc3ccccc32)CN1c1cccc(C(F)(F)F)c1 7986388 RMIOBFYVECMCHN-AWEZNQCLSA-N 374.362 3.648 0 40 FHAB CCn1/c(=N/S(=O)(=O)c2ccc(C)cc2)sc2c(C)cc(C)cc21 101022407 RLUFOBLDZKHKTJ-HNENSFHCSA-N 360.504 3.938 0 40 FHAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)CC1CCCC1 32769616 IJDMBOUTWSPEHU-UHFFFAOYSA-N 356.388 3.517 0 40 FHAB C[C@H](OC(=O)Cc1c(F)cccc1Cl)C(=O)NCCC1=CCCCC1 2640002 QSMZQNXWZXJVLJ-ZDUSSCGKSA-N 367.848 3.960 0 40 FHAB COc1cccc(CNC(=O)c2ccccc2C(=O)c2cccs2)c1 8331719 RJCIPVCPKJFDNC-UHFFFAOYSA-N 351.427 3.918 0 40 FHAB COCc1c(C(=O)Nc2cc3c(cc2C(C)=O)OCO3)oc2ccccc12 32994738 VTUBHBMBGWCWEU-UHFFFAOYSA-N 367.357 3.763 0 40 FHAB Cc1ccnc(NC(=O)[C@@H](C(C)C)n2c(=S)[nH]c3ccccc3c2=O)c1 9834552 MDBWVBOREZRXFD-MRXNPFEDSA-N 368.462 3.598 0 40 FHAB Cc1ccc([C@]2(C)NC(=O)N(CCCOc3cc(C)ccc3C)C2=O)cc1 17478916 ACVVFVIVOHTFOO-QFIPXVFZSA-N 366.461 3.848 0 40 FHAB CC(C)Oc1ccc(-c2noc(C(=O)NCc3cccc(F)c3)n2)cc1 12409944 YZDHHYWAZSMYIX-UHFFFAOYSA-N 355.369 3.593 0 40 FHAB C[C@@H](Sc1nnc(N)s1)C(=O)N[C@H](C)c1cccc2ccccc12 22738339 ZRTKDCAXJOJWFM-GHMZBOCLSA-N 358.492 3.632 0 40 FHAB C[C@H](NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1)C(=O)O 61714936 GKMBYFKDZMNKMW-LBPRGKRZSA-N 359.385 3.586 0 40 FHAB biogenic Cc1cccn2c(=O)nc(SCc3cccc(C(F)(F)F)c3)nc12 3134599 NDXHHGZAEHJODO-UHFFFAOYSA-N 351.353 3.709 0 40 FHAB C[C@H]1CCC[C@@H](C)N1CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1 3189758 STTINUWGALUHJH-OKILXGFUSA-N 358.935 3.660 0 40 FHAB Cc1ccc(OCc2nc(C)c(C(=O)NCc3ccccn3)s2)cc1 12543147 NETLOXMJUIUUIV-UHFFFAOYSA-N 353.447 3.664 0 40 FHAB O[C@H](COc1ccccc1F)Cn1c(-c2cscn2)nc2ccccc21 12520026 JXSUKCWQVWDGTI-ZDUSSCGKSA-N 369.421 3.739 0 40 FHAB C[C@H](NC(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1nc2ccccc2[nH]1 24991693 RJXZQIKIFUMGQX-AAEUAGOBSA-N 355.825 3.645 0 40 FHAB C[C@@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccccc1Cl 29764746 GXIIHRLCTNDVNF-CQSZACIVSA-N 356.853 3.953 0 40 FHAB C[C@H](NC(=O)COC(=O)c1ccc2ccccc2c1O)[C@@H]1C[C@H]2CC[C@H]1C2 107324512 QPGHMXIDOBOKSN-PWDMQXDWSA-N 367.445 3.643 0 40 FHAB C[C@@H](Sc1nnc(NCC(F)(F)F)s1)C(=O)Nc1ccccc1 57813555 HGQMYQCJZJMAGN-MRVPVSSYSA-N 362.402 3.632 0 40 FHAB C[C@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)C12CC3CC(CC(C3)C1)C2 10239931 LIUAOFDGNYJDIL-QRYOHXEKSA-N 370.445 3.789 0 40 FHAB COc1ccc(-c2nonc2NC(=O)COc2ccc(C)c(C)c2)cc1C 27664672 CANPHANNPNIDGS-UHFFFAOYSA-N 367.405 3.688 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2cc(C(=O)O)cc(Cl)c2OC)cc1 20145156 GGUDWPWAIXJISS-VMPITWQZSA-N 361.781 3.707 0 40 FHAB c1ccc([C@H](CNCc2csc(-c3ncccn3)n2)N2CCCC2)cc1 58202261 ROYDEGSGUNEGBK-SFHVURJKSA-N 365.506 3.527 0 40 FHAB Cc1cc(NC(=O)CN[C@@H](C)c2ccc(F)cc2F)n(-c2ccccc2)n1 12874886 CQWOYFOVVQBZRC-AWEZNQCLSA-N 370.403 3.748 0 40 FHAB Cc1ccccc1/C=C/c1nc(SCC(=O)NCc2ccccc2)n[nH]1 12844676 QEBDUWOOWZATBJ-VAWYXSNFSA-N 364.474 3.692 0 40 FHAB CCCNC(=O)C(=O)c1c(-c2ccc(OCC)cc2)cc2ccccn12 408680478 ZHEBIDKUSRCIFA-UHFFFAOYSA-N 350.418 3.714 0 40 FHAB Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccc(NC(N)=O)cc1 12977254 CGWURURBLIVZQA-UHFFFAOYSA-N 366.446 3.539 0 40 FHAB CCOC(=O)c1cc(CC)sc1NC(=O)CC1(C(=O)O)CCCCC1 13255747 ZVDPZZHQGKAVMR-UHFFFAOYSA-N 367.467 3.851 0 40 FHAB CCc1ccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)NC(=O)CS3)cc1 8392427 SGPUWQUABQWXKF-GFCCVEGCSA-N 355.463 3.732 0 40 FHAB COC(=O)c1ccc(CN2C(=O)S/C(=C\c3ccccc3)C2=O)cc1 4292086 CMVJSZMANXUJFI-WJDWOHSUSA-N 353.399 3.710 0 40 FHAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(CCOC)C2=O)cc1OC 409141335 VAZVCZOWKSOKOO-PILJQMSFSA-N 365.451 3.555 0 40 FHAB O=C(Oc1ccc(Cl)cc1N1C(=O)c2ccccc2C1=O)c1ccco1 6341559 SZNPLDSTJZVVAX-UHFFFAOYSA-N 367.744 3.953 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2cccc(F)c2)cc1 26311200 SVKHLVHBIRLCFQ-OAHLLOKOSA-N 364.486 3.707 0 40 FHAB CC(C)c1ccc(NC(=O)C[C@H](C)CC(=O)NCc2ccccn2)cc1 4675960 RBIQRYNENAQCOU-MRXNPFEDSA-N 353.466 3.876 0 40 FHAB CCOc1ccc(Cl)c(C(=O)N[C@H]2CCN(C3CCCCCC3)C2)n1 69929043 TVWPIMXZMOJWHK-AWEZNQCLSA-N 365.905 3.661 0 40 FHAB CCC(C)(C)C1CCC(NC(=O)C[C@@H](NC(N)=O)c2ccccc2)CC1 14527803 QRYVMUBLYPNJDC-DAWZGUTISA-N 359.514 3.897 0 40 FHAB Cc1ccccc1OCCN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O 8719103 CGIFPPNRFOYFEZ-JOCHJYFZSA-N 364.445 3.548 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 8723091 YOAKYVTVSLIOIR-AWEZNQCLSA-N 372.852 3.982 0 40 FHAB COc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1OC(C)C 8710498 NBONDMNNXROQHG-UHFFFAOYSA-N 372.440 3.584 0 40 FHAB C[C@H]1CN(c2ccc(NC(=O)c3sccc3C3CC3)cn2)C[C@H](C)O1 67166599 ABAIQGSYCDUXKQ-STQMWFEESA-N 357.479 3.886 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(C(F)(F)F)n1C 7198454 PXSJCAPSIZOUMR-SECBINFHSA-N 368.384 3.987 0 40 FHAB Cc1ccc(C)c(-n2nnnc2SCc2nc(-c3cccs3)no2)c1 7215298 LNNUNNMXDRNLAN-UHFFFAOYSA-N 370.463 3.683 0 40 FHAB CC(=O)Nc1cccc(N[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)c1 7224631 OREXTNAFPCLCJO-SECBINFHSA-N 351.328 3.501 0 40 FHAB Cc1cc(=O)oc2cc(OCC(=O)Nc3cccc4ncccc34)ccc12 7757914 IAGOOIAOPXMEPA-UHFFFAOYSA-N 360.369 3.667 0 40 FHAB biogenic Cc1c(CCC(=O)Nc2cccc3ncccc23)c(=O)oc2cc(O)ccc12 8992483 WXTFGZQXBBFGLK-UHFFFAOYSA-N 374.396 3.927 0 40 FHAB C[C@H](NC(=O)[C@@H](C)Sc1n[nH]c2nc3ccccc3n12)c1ccccc1 9318406 HGQURIAVLPZZKX-QWHCGFSZSA-N 365.462 3.569 0 40 FHAB O=C1c2ccccc2N[C@H](c2cnn(-c3ccccc3)c2)N1C[C@@H]1CCCO1 9477561 XHMXOVNJCUQINS-RXVVDRJESA-N 374.444 3.618 0 40 FHAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccccc1-c1ccccc1)CS2 9499915 XFBSCXCUHAQAMM-FXAWDEMLSA-N 352.459 3.746 0 40 FHAB CCc1nccn1S(=O)(=O)c1ccc(Br)c2ccccc12 19942757 NJFUVNJWGLMRMS-UHFFFAOYSA-N 365.252 3.598 0 40 FHAB Cc1nn(C)c(C)c1C(=O)C(=O)N(C)Cc1ccc(-c2ccccc2)cc1 78245128 GPPRVXDNSKGOFR-UHFFFAOYSA-N 361.445 3.545 0 40 FHAB Cc1cnc2c(S(=O)(=O)NCc3cc4ccccc4[nH]3)cccc2c1 95393305 FOLCYFMMSQWBPX-UHFFFAOYSA-N 351.431 3.503 0 40 FHAB CCNc1scnc1C(=O)O[C@@H](C)C(=O)Nc1cc(Cl)ccc1C 75104193 BWIIDXXRENLABL-JTQLQIEISA-N 367.858 3.721 0 40 FHAB Cc1ccc(S(=O)(=O)N/C(=C(\N)c2ccccc2)c2ccccc2)cc1 116240091 BEMRQAALSGVBQA-MRCUWXFGSA-N 364.470 3.758 0 40 FHAB CN(C)CC(=O)N1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 72350129 AUOIKTKQBVCZQQ-QGZVFWFLSA-N 371.912 3.593 0 40 FHAB Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)c1 33682052 GZIKQGUNKIEVRJ-QGZVFWFLSA-N 374.506 3.713 0 40 FHAB CCOc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2OC)CC1 72331357 YQAPBEURDPAZKK-UHFFFAOYSA-N 374.868 3.710 0 40 FHAB C[C@@](O)(CCc1ccccc1)CNS(=O)(=O)c1cccc2ccccc12 62021474 GMZUFZWDCHMZHK-OAQYLSRUSA-N 369.486 3.502 0 40 FHAB COc1ccccc1Oc1cncc([C@H]2CCCN2C2CCOCC2)n1 72384265 WFWYYZOHFXTYCF-QGZVFWFLSA-N 355.438 3.593 0 40 FHAB O=C(O)[C@H](c1ccsc1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 566361084 FGETYGGWZGOQJL-CABCVRRESA-N 369.389 3.549 0 40 FHAB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(Cn2ccnc2C)cc1 44852678 BQTXWQYYBQRDIU-QGZVFWFLSA-N 363.461 3.746 0 40 FHAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC)c(C(=O)OCC)c1 225824766 DYIBRZXSBUKFRV-LJQANCHMSA-N 351.443 3.796 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225053237 AGLLDYDHRPNAOM-OAHLLOKOSA-N 360.410 3.535 0 40 FHAB CCCNC(=O)CSc1cc(C(F)(F)F)c2ccc(OC)cc2n1 85565115 TVDRPMIRGCPDRQ-UHFFFAOYSA-N 358.385 3.881 0 40 FHAB Cc1cc(CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1Br 228943055 MNNYODZHCUZKFO-UHFFFAOYSA-N 369.303 3.810 0 40 FHAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3cc(C)cc(C)c3)ccc21 225686746 IJHFYMPQSPLLOZ-UHFFFAOYSA-N 362.476 3.501 0 40 FHAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCOCc3ccccc3)cc2)C1 224333961 YEIVDJANXKQOOT-LJQANCHMSA-N 366.505 3.865 0 40 FHAB Cc1ccc(C)c(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 225471867 CWXJIOIKUBCCHB-IBGZPJMESA-N 366.505 3.788 0 40 FHAB O=C(C[C@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21)NCC1CC1 96053128 ZAPFFLNVLJRIAD-IBGZPJMESA-N 368.521 3.714 0 40 FHAB FC(F)(F)c1ncccc1CNC1(c2noc(C3CC3)n2)CCCC1 528391041 DCFYKBIVIZXIHZ-UHFFFAOYSA-N 352.360 3.920 0 40 FHAB O=C(c1cccnc1)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257331679 XTUMTQITVTXHSO-SFHVURJKSA-N 351.381 3.777 0 40 FHAB CCN(Cc1ccccc1NC(=O)N[C@@H]1Cc2ccccc2[C@@H]1C)C(C)=O 665533306 JGSAGTMJVMGFSX-YCRPNKLZSA-N 365.477 3.905 0 40 FHAB O=C(N[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1)[C@@H]1CCCc2n[nH]cc21 648969258 SPEDJHOZNUDPPL-QWHCGFSZSA-N 368.868 3.638 0 40 FHAB Cc1cc(NC(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)ccc1Cl 654301057 SRLCDFZGPDFABR-AWEZNQCLSA-N 350.768 3.960 0 40 FHAB O[C@@H]1[C@@H](NCCc2cccc(F)c2)CCC[C@H]1Oc1cccc(Cl)c1 585289434 JLKZBFJDRLINRU-XUVXKRRUSA-N 363.860 3.972 0 40 FHAB Fc1ccc(CN2CC3(C[C@@H](OCc4cccnc4)CS3)C2)cc1F 585104678 KVQFKXJSVVRVIE-MRXNPFEDSA-N 362.445 3.637 0 40 FHAB Cc1csc(C(=O)N2CCC(COc3cc(C4CC4)ncn3)CC2)c1 1565522676 NFDPSIWFWGLIMY-UHFFFAOYSA-N 357.479 3.655 0 40 FHAB CCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC 936348 IYORGVWVTZWJFJ-NTUHNPAUSA-N 369.417 3.923 0 40 FHAB CN1C[C@@H](C(=O)Nc2cccc3c2CCCC3)[C@@H]2COc3ccccc3[C@@H]21 1772595876 QFTWVFOFHCBNRV-DXIQSLLYSA-N 362.473 3.815 0 40 FHAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NC1CCCCC1 5557856 YAEBGIULNJPGHR-FQEVSTJZSA-N 350.462 3.997 0 40 FHAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(NC(=O)C2CC2)cc1 16104224 XEMVBZYIBOFZQF-UHFFFAOYSA-N 360.316 3.609 0 40 FHAB COc1ccc2[nH]c(=O)c(CN(C(=O)C(C)C)C3CCCCC3)cc2c1 16323429 FXMGZDFBADEUKU-UHFFFAOYSA-N 356.466 3.854 0 40 FHAB Fc1ccc(-c2nc(=S)[nH]cc2-c2nnnn2-c2ccccc2)cc1F 16523883 LGXLMGRMQUFBSX-UHFFFAOYSA-N 368.372 3.727 0 40 FHAB Cc1ccsc1CN(CCCN1CCOCC1)Cc1ccsc1 19238589 VFHXSQGKTPVKMT-UHFFFAOYSA-N 350.553 3.843 0 40 FHAB COc1ccc(CN2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc1 19453633 WRPJQCGMFWVSPJ-UHFFFAOYSA-N 366.509 3.767 0 40 FHAB CCOC(=O)c1c([S@@](C)=O)nc2c(C(F)(F)F)cccc2c1Cl 2564904 XXPVZFVXSGUBLD-QHCPKHFHSA-N 365.760 3.821 0 40 FHAB CCOC(=O)c1ccc(NC(=O)CCC(=O)c2ccc(OCC)cc2)cc1 5704630 CTRWILIASRPFRZ-UHFFFAOYSA-N 369.417 3.864 0 40 FHAB COc1ccc(-c2csc(CC(=O)NCc3ccccc3)n2)c(OC)c1 8103230 JHESSVPYFJCFQK-UHFFFAOYSA-N 368.458 3.686 0 40 FHAB Cc1nc2ccccn2c(=O)c1NC(=O)Nc1cc(Cl)cc(Cl)c1 13707566 NRAUYTOFWCLZOY-UHFFFAOYSA-N 363.204 3.954 0 40 FHAB O=C(c1cc2ccccc2o1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 38729196 RASDXJZGVJAICP-MOPGFXCFSA-N 374.440 3.521 0 40 FHAB O=C(NCc1ccc(-c2ccsc2)o1)C(=O)Nc1ccccc1Cl 575611066 UEGYXTUGGVIBBC-UHFFFAOYSA-N 360.822 3.916 0 40 FHAB O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccc(Br)o1 5441654 XORCGLXZYIOZFP-UHFFFAOYSA-N 363.211 3.811 0 40 FHAB O=C(Cc1noc2ccccc12)Nc1cc(N2CCCC2=O)ccc1Cl 40090720 AAIGMUXOZCXNJM-UHFFFAOYSA-N 369.808 3.789 0 40 FHAB O=C(Cc1ccc(F)cc1)NCc1ccc(NC(=O)c2ccco2)cc1 11145104 PCAXRDHHIBHTGC-UHFFFAOYSA-N 352.365 3.530 0 40 FHAB O=C(NC1CCCC1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 918408 FWUPLTAZNRDTFG-SMDDNHRTSA-N 368.359 3.809 0 40 FHAB Cc1nc2ccccc2n1-c1ccc(S(=O)(=O)Nc2ccccn2)cc1 1087382 FWXGJJOYBSQISN-UHFFFAOYSA-N 364.430 3.530 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc(-c3cccc(O)c3)o2)c1C 1224345 YLRPBVSLPGYTBL-UHFFFAOYSA-N 355.419 3.790 0 40 FHAB Nc1nc(N)c(-c2ccccc2)c(CCC(=O)Nc2ccc(Cl)cc2)n1 1618433 MDUQLWNJNVLIGH-UHFFFAOYSA-N 367.840 3.533 0 40 FHAB Cc1ccc(C)c(SCC(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1 3265408 FSPFEXCXFMQEGV-HYVNUMGLSA-N 363.523 3.880 0 40 FHAB Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)NCCC(=O)O 20714945 XLYZKOYZYHMQEW-UHFFFAOYSA-N 359.234 3.630 0 40 FHAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(C)cc3)n2)cc1 6204766 KTAVYMPFOPSRIV-UHFFFAOYSA-N 354.435 3.520 0 40 FHAB C[C@H]1CCC[C@H](NC[C@H](O)COCCOc2ccc(Cl)cc2)[C@@H]1C 6640849 OSISLWGQAJWPLM-HIRMHNASSA-N 355.906 3.511 0 40 FHAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2cccc(F)c2)c(OC)c1 7739544 XOUMIOQZZYVLTQ-SFHVURJKSA-N 358.413 3.619 0 40 FHAB CCOc1ccc(N2C[C@H](C(=O)Oc3cc(C)ccc3C)CC2=O)cc1 7929209 OPZVVBMXEQDUEV-MRXNPFEDSA-N 353.418 3.661 0 40 FHAB Cc1cccc(-c2nnc(SCC(=O)Nc3c(F)cccc3F)n2C)c1 7977086 BGZGPAMTAHOFDV-UHFFFAOYSA-N 374.416 3.800 0 40 FHAB COCc1nc(OC)c2c(C)c(C(=O)Nc3ccc(C)cc3)sc2n1 7991057 OFYRMCAHSQJTLY-UHFFFAOYSA-N 357.435 3.715 0 40 FHAB C[C@H](Nc1ccc2c(c1)OC(F)(F)O2)C(=O)Nc1c(F)cccc1F 29456820 TVHHORVZWJAFHC-QMMMGPOBSA-N 356.275 3.725 0 40 FHAB COc1cc([C@@H](C)Nc2nccc(C(F)(F)F)n2)cc(OC)c1OC 52243107 BCLLUSRCXGYLKG-SECBINFHSA-N 357.332 3.694 0 40 FHAB Cc1cc(Br)ccc1NC(=O)CN(C)Cc1ccc(F)cc1 8120325 XGGKLPMVUYOMNH-UHFFFAOYSA-N 365.246 3.967 0 40 FHAB Cc1nc(NC(=O)CCNC(=O)c2cccs2)sc1-c1ccccc1 32817250 ABPQKOLFUPEBME-UHFFFAOYSA-N 371.487 3.939 0 40 FHAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)NCC(F)(F)F)o2)cc1C 10842979 CMPUKWKGJRDLNU-SNVBAGLBSA-N 359.373 3.513 0 40 FHAB CCc1ccc(C(=O)NCc2ccc(OC[C@H]3CCCO3)c(OC)c2)cc1 32930364 GHBOJQSDBSUGTG-LJQANCHMSA-N 369.461 3.745 0 40 FHAB O=C(NC[C@@H]1Cc2ccccc2O1)c1cccnc1Nc1cccc(F)c1 52615951 OIUSUTQPKSTSOF-KRWDZBQOSA-N 363.392 3.698 0 40 FHAB C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccc(F)cc1 21843449 IMFLLPPYAPZWPF-WMLDXEAASA-N 372.415 3.694 0 40 FHAB Cc1ccc(OCCNC(=O)C2CCN(Cc3ccccc3C)CC2)cc1 9062557 ONZHOKPBKODGNJ-UHFFFAOYSA-N 366.505 3.711 0 40 FHAB Cc1ccccc1CN1CCC(C(=O)NCCSCc2ccco2)CC1 9062914 JDNBOJITTDTTRA-UHFFFAOYSA-N 372.534 3.850 0 40 FHAB Cc1ccc2nc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)sc2c1 2627161 ZIURDVDPDWHADK-OAHLLOKOSA-N 365.458 3.592 0 40 FHAB CN(C)[C@H](CNC(=O)c1ccc(COc2ccc(F)cc2)o1)c1ccco1 22381196 IZMQUPXKSBHTQU-QGZVFWFLSA-N 372.396 3.623 0 40 FHAB COc1ccc(C(=O)Cn2c3ccccc3n3nc(-c4ccco4)nc23)cc1 729051 YGHDJDUEAAHZSN-UHFFFAOYSA-N 372.384 3.836 0 40 FHAB Cc1ccc(NC(=O)C2CCC2)cc1S(=O)(=O)Nc1ccccc1F 22743853 GTVHGVVRZLGTQZ-UHFFFAOYSA-N 362.426 3.674 0 40 FHAB O=C(Oc1ccc2oc3ccccc3c2c1)c1cccc(-n2cnnn2)c1 22921156 KYIMVTJIGXEKCP-UHFFFAOYSA-N 356.341 3.781 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)CN[C@@H](c1ccccc1)C(C)C 8003550 MKZKBMOXONEBFG-OAQYLSRUSA-N 369.465 3.579 0 40 FHAB COC(=O)c1ccc(CSCC(=O)N2CCCc3ccccc32)cc1 25221623 MCQVWKAKFCLJGY-UHFFFAOYSA-N 355.459 3.686 0 40 FHAB CN(C)[C@@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)c1ccsc1 25330107 LKYHMLBTAKPQLG-AWEZNQCLSA-N 358.385 3.679 0 40 FHAB CNC(=O)c1ccc(CN(C(=O)c2cc(Cl)ccc2F)C2CC2)cc1 26121443 BVIFTPFGEXNAEV-UHFFFAOYSA-N 360.816 3.644 0 40 FHAB Cc1ccn2cc(C(=O)Nc3nc(CN4CCC[C@H](C)C4)cs3)nc2c1 12532373 FTIKOMOZTIEZID-AWEZNQCLSA-N 369.494 3.583 0 40 FHAB CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3ccc(Cl)cc3)ccc21 12561969 IQZCDXSLWRUYDS-LBPRGKRZSA-N 357.841 3.688 0 40 FHAB CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3cccc(Cl)c3)ccc21 12562279 LVPXIILOHHCIRX-GFCCVEGCSA-N 357.841 3.688 0 40 FHAB NC(=O)[C@@H]1Cc2ccccc2CN1Cc1sc2ccccc2c1Cl 35489003 NQOLJVKONJUGKD-HNNXBMFYSA-N 356.878 3.967 0 40 FHAB O=C(NCc1ccc(Cn2cccn2)cc1)c1ccc(-n2cccc2)cc1 12528307 MICKNTUHXJDKNR-UHFFFAOYSA-N 356.429 3.652 0 40 FHAB CC(=O)c1cccc(NC(=O)c2c3c(nc4c2cnn4C(C)C)CCC3)c1 35686426 ABIIADJYWREGAC-UHFFFAOYSA-N 362.433 3.956 0 40 FHAB COc1ccc2c(c1)CCN2C(=O)c1cn(C)nc1-c1ccccc1Cl 108706182 NAIJCRKBZHXMTJ-UHFFFAOYSA-N 367.836 3.952 0 40 FHAB COc1ccc(C(=O)Nc2ncccc2OC(C)C)cc1Br 58154856 QZHIGWLBYKAKEL-UHFFFAOYSA-N 365.227 3.892 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)Nc1nonc1-c1ccc(C)c(C)c1 27583128 SUUVGCPLCUVQDK-CQSZACIVSA-N 367.405 3.768 0 40 FHAB Cc1ccc(C(=O)OCC(=O)Nc2ccccc2Br)s1 3247162 AUDYLWXTTVOZMU-UHFFFAOYSA-N 354.225 3.615 0 40 FHAB O=c1ccc(-c2ccccc2F)nn1Cc1ccc(Br)cc1 44901132 UDQWGTKQWCRLKA-UHFFFAOYSA-N 359.198 3.860 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)/C=C/c1cccc(Cl)c1)CC2 2355348 YFUJOODFHMKPOK-VOTSOKGWSA-N 357.837 3.955 0 40 FHAB Fc1ccc(-c2nn3c([C@H]4COc5ccccc5O4)nnc3s2)cc1 2357156 CCWFGRSYZMQDGC-CQSZACIVSA-N 354.366 3.504 0 40 FHAB O=S(=O)(NCCc1c[nH]c2ccccc12)c1cccc(C(F)(F)F)c1 3331786 UIAIYGNFDFTSQH-UHFFFAOYSA-N 368.380 3.708 0 40 FHAB COc1ccc(NC(=O)c2ccco2)cc1OCc1cn2ccccc2n1 48206334 QSWUHCUTIBIFLQ-UHFFFAOYSA-N 363.373 3.767 0 40 FHAB C[C@@H]1CCN(C(=O)CCn2c(=O)oc3ccccc32)c2ccccc2S1 17525709 CDKRCZNRVSHJHE-CQSZACIVSA-N 368.458 3.902 0 40 FHAB CCC[C@H](NC(=O)Cn1nc(-c2ccccc2)ccc1=O)c1ccccc1 48385891 VFULASBUXNVURF-IBGZPJMESA-N 361.445 3.568 0 40 FHAB CC[C@H]1c2ccsc2CCN1CC(=O)N1CCC(c2ccccc2)=N1 12896024 XXIGPVBYUHVKPE-SFHVURJKSA-N 353.491 3.694 0 40 FHAB C[C@@H]1C(=O)N(CN2CC=C(c3ccccc3)CC2)C(=O)N1c1ccccc1 12869203 CDGHGKQMGPERAU-QGZVFWFLSA-N 361.445 3.591 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)o1 8277248 JTUPXXKTWOKBQP-UONOGXRCSA-N 361.467 3.769 0 40 FHAB Cc1cc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)ccc1Br 12913849 SVWMRBGHNAWAIO-ZDUSSCGKSA-N 359.223 3.822 0 40 FHAB Nc1cc(Cl)ccc1C(=O)OCc1nc(-c2ccccc2Cl)no1 12934050 GHNZYMKPNDZCRQ-UHFFFAOYSA-N 364.188 3.983 0 40 FHAB COc1cccc([C@@H](CNC(=O)Nc2ccccc2F)N2CCCC2)c1 12977114 IMJYVEIXGJZFEP-LJQANCHMSA-N 357.429 3.793 0 40 FHAB Cc1cc(C)cc(C(=O)N2CCN(Cc3cccc4cccnc34)CC2)c1 13009839 GEWFYUUCFFMEJT-UHFFFAOYSA-N 359.473 3.810 0 40 FHAB CCn1nc(C)c(N2C(=O)c3cccc4c(C(C)=O)ccc(c34)C2=O)c1C 408974783 GYRLGGHKIFUBHU-UHFFFAOYSA-N 361.401 3.676 0 40 FHAB C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1nc2ccccc2s1 13735755 GHRVXXGEDXTOKW-NSHDSACASA-N 364.430 3.535 0 40 FHAB Cc1nccn1-c1ccc(CNC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 20459611 WKWWXTABBJAABH-CQSZACIVSA-N 369.852 3.918 0 40 FHAB Cc1ccsc1CNC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1 65476412 FSUKFOXBTLHJNE-SNVBAGLBSA-N 364.521 3.543 0 40 FHAB COc1ccc(Cl)cc1C(=O)NCc1cccc(NC(=O)C2CC2)c1 14198617 NLFOPWRYFYUOFS-UHFFFAOYSA-N 358.825 3.627 0 40 FHAB O=S(=O)(Cc1csc(C2CCCCC2)n1)C[C@@H](O)c1ccccc1 65653092 CFQQNCREVWVRQJ-QGZVFWFLSA-N 365.520 3.839 0 40 FHAB O=C(NCCc1nnc2ccccn12)C1(c2ccc(Cl)cc2)CCCC1 5452065 WDKNDOFKOQRMSK-UHFFFAOYSA-N 368.868 3.553 0 40 FHAB CN(C(=O)CCCNC(=O)c1cccs1)c1nc2ccccc2s1 24975965 CUOHACBFBQFOSU-UHFFFAOYSA-N 359.476 3.531 0 40 FHAB COc1ccc(/C=C(\C(=O)N(C)C2CCCCC2)n2ccccc2=O)cc1 4681276 PZPXGQGOXQUCGO-CAPFRKAQSA-N 366.461 3.646 0 40 FHAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(C)cc2)n2ncnc2N1 4723436 YRUMMZLNSJTIKO-LJQANCHMSA-N 359.433 3.823 0 40 FHAB Fc1ccc(-c2nnn3c2nc(NC[C@@H]2CCCO2)c2ccccc23)cc1 67261434 MXSCTXFSEDJPIN-HNNXBMFYSA-N 363.396 3.675 0 40 FHAB Cc1ccc(C)c(N2CCN(C(=O)c3cc(-c4cccs4)[nH]n3)CC2)c1 15679252 GVENKRUDSDIGJW-UHFFFAOYSA-N 366.490 3.717 0 40 FHAB O=C(CCc1ccccc1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 7671848 ZJOLAUDWUYEBPC-UHFFFAOYSA-N 360.339 3.857 0 40 FHAB COC(=O)N[C@@H](C(=O)Nc1ccc2c(Cl)ccc(Cl)c2n1)C(C)C 96002253 FXRBHCUOZYKJMB-CYBMUJFWSA-N 370.236 3.861 0 40 FHAB Cc1ccc(CN2Cc3nnn(C)c3[C@@H](COCc3ccccc3)C2)s1 96060807 LZTOXIRCGMVWOK-QGZVFWFLSA-N 368.506 3.501 0 40 FHAB CCCCc1nnc(SCc2cc(=O)c3c(C)ccc(C)c3[nH]2)n1C 21098910 RRPIRVXAKXMHHY-UHFFFAOYSA-N 356.495 3.908 0 40 FHAB Cc1ccc(OCC(=O)N2CCN(Cc3cccc4ccccc34)CC2)cc1 19841954 IRBFMTJWUNRKDD-UHFFFAOYSA-N 374.484 3.871 0 40 FHAB CCCCc1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 19834174 LGYASQGXWJGUJD-UHFFFAOYSA-N 365.521 3.786 0 40 FHAB CCn1cnnc1[C@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1 95395959 DMMOYHVSHQUPQA-JTQLQIEISA-N 359.783 3.749 0 40 FHAB Cn1ccnc1CC1CCN(C(=O)Nc2ccccc2OC(F)F)CC1 95430996 FUMGYAKJTPXKGQ-UHFFFAOYSA-N 364.396 3.508 0 40 FHAB O=C(Nc1cccc(F)c1F)N1CCC[C@@H]1c1nnc2n1CCCCC2 95958288 SSPXKCIOXWLKSF-CQSZACIVSA-N 361.396 3.652 0 40 FHAB COC(=O)CCCNC(=O)/C=C/c1ccccc1OCc1ccc(C)cc1 62715351 BGZDRJRHQMPRAY-BUHFOSPRSA-N 367.445 3.657 0 40 FHAB Cc1cccc(CN2CC[C@@]3(C2)CN(Cc2cccnc2)c2cccnc23)c1 306140094 UJSWDGJEVQNVBP-XMMPIXPASA-N 370.500 3.949 0 40 FHAB COc1ccc(OC)c(C(=O)c2oc3cc(NC(C)=O)ccc3c2C)c1 9419694 DPKVWSXRXOHWEK-UHFFFAOYSA-N 353.374 3.948 0 40 FHAB biogenic CSc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Oc1ccc(C)cc1 31546675 ZHLWXNGETPWGGX-OAHLLOKOSA-N 372.490 3.581 0 40 FHAB COc1ncccc1C(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 32760662 OLSIDHXHGOCOAZ-UHFFFAOYSA-N 361.373 3.668 0 40 FHAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1nc(-c2cccc(C)c2)no1 219315419 OQRZWEPHVJZVHD-QGZVFWFLSA-N 365.433 3.827 0 40 FHAB O=C(NC[C@H](O)C1CCCCC1)c1cc(Br)ccc1Cl 69494986 BPGBEHBFNHAOIT-AWEZNQCLSA-N 360.679 3.774 0 40 FHAB Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN2C(=O)c2ccccc2)n1 72354608 QAFIFIHSQLHUJN-GOSISDBHSA-N 362.408 3.842 0 40 FHAB O=Cc1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccc(Cl)cc2)n[nH]1 33546035 AANBXHQWUISUIT-UHFFFAOYSA-N 360.782 3.997 0 40 FHAB O=C(NCc1ccc(Br)cc1)c1cn[nH]c1-c1cccs1 72329458 LJLXWYDUGPBTFA-UHFFFAOYSA-N 362.252 3.831 0 40 FHAB COc1ccccc1C(=O)NCc1cccc(C(=O)Nc2ccccc2)c1 40106712 PMZLLBXQEPSILD-UHFFFAOYSA-N 360.413 3.878 0 40 FHAB Cc1ccc(C(=O)NC[C@@H](c2ccc(C(C)C)cc2)N2CCOCC2)cc1 41156432 NMMLWBNNBRHNOM-QFIPXVFZSA-N 366.505 3.922 0 40 FHAB CCOC(=O)c1cc(NC(=O)[C@](C)(OCC)C2CC2)ccc1OC(C)C 225835979 WJHRLJKXYVCMOO-HXUWFJFHSA-N 363.454 3.794 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl 223681471 GJGBTHQODVTJBV-MRXNPFEDSA-N 372.896 3.744 0 40 FHAB CCOc1ccc2cc(S(=O)(=O)N3CCc4ccccc43)ccc2c1 41092000 PCWQOMLKACYNTC-UHFFFAOYSA-N 353.443 3.990 0 40 FHAB CC(C)c1nc(Cc2ccc(NS(=O)(=O)c3ccccc3)cc2)no1 222983826 MPXNUUISRCRVQK-UHFFFAOYSA-N 357.435 3.585 0 40 FHAB CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(Br)cc2)C1 83552708 XMUSWGFWVBNSTM-CQSZACIVSA-N 355.276 3.548 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1C 42185139 FPIZGFVDMDMCFW-HOTGVXAUSA-N 355.434 3.719 0 40 FHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(N2CCOCC2)cc1 225005217 HLZRKNXJRNUNTM-HXUWFJFHSA-N 368.477 3.936 0 40 FHAB CCOCc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1OCC 224697109 JXYNZLOTQJZNEV-UHFFFAOYSA-N 357.406 3.645 0 40 FHAB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3cccnc3)C2)n1 220808318 DFKYHLVACJDNIL-INIZCTEOSA-N 362.433 3.535 0 40 FHAB CS(=O)(=O)c1sc2[nH]nc(N)c2c1-c1ccc(Cl)cc1Cl 96532169 YKZABKMXRFFCHJ-UHFFFAOYSA-N 362.263 3.584 0 40 FHAB Cc1nc(CO[C@H]2CSC3(C2)CN(C(=O)c2ccccc2C)C3)cs1 248167980 SUFGXIBNTRZAIA-MRXNPFEDSA-N 374.531 3.677 0 40 FHAB Cc1ncsc1CN1CCC(c2c(C(N)=O)sc3ncccc23)CC1 257250278 JLWDLSSXGJZOPJ-UHFFFAOYSA-N 372.519 3.540 0 40 FHAB O=C(c1cccc(O)n1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257218998 DFEXPJWBFAWHIW-SFHVURJKSA-N 363.417 3.733 0 40 FHAB CC(C)C[C@H](NC(=O)c1nccc2ccsc12)C(=O)Nc1nccs1 626337946 LBXKJWNBCDEYMK-LBPRGKRZSA-N 374.491 3.536 0 40 FHAB O=C(CNC(=O)Nc1cccc(Cl)c1)NC[C@@H]1CCCc2ccccc21 1136167547 UAOHQOIZGYSICF-HNNXBMFYSA-N 371.868 3.698 0 40 FHAB CC(C)Oc1cc(-c2noc(-c3cc4cc(F)ccc4[nH]c3=O)n2)ccn1 1776002839 HHMDAQKWPARHCX-UHFFFAOYSA-N 366.352 3.566 0 40 FHAB CCC(CC)C(=O)N1CCC[C@H](N(C)C(=O)c2c(F)cc(F)cc2F)C1 1615611723 PGLLFPHSSUZIDH-AWEZNQCLSA-N 370.415 3.603 0 40 FHAB Cc1cc(CN2CCc3oc(C(=O)N(C)C4CC(C)C4)nc3C2)ccc1F 585112552 RDYCSRKBYHVZEM-UHFFFAOYSA-N 371.456 3.551 0 40 FHAB Cc1ccc(C(=O)N2CC3(C[C@H](OCc4cccc(C)n4)CS3)C2)cc1 585105178 PSFQVJQDYVRZSG-IBGZPJMESA-N 368.502 3.615 0 40 FHAB CN1CCC(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)CC1 1615130438 YNOGQGQYQFCMEC-JOCHJYFZSA-N 373.516 3.517 0 40 FHAB S=C(NC1CCCCC1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 4886042 VUYXYLCAUWDIDR-IHWFROFDSA-N 357.567 3.979 0 40 FHAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 5676162 NGHMQIBAQOOTIP-BVIHXZOGSA-N 374.849 3.925 0 40 FHAB Cc1c(-c2ccccc2)n[nH]c1C(=O)NC1(CN2CCCC2)CCCCC1 12147291 GIGWBZAGOVPNBH-UHFFFAOYSA-N 366.509 3.914 0 40 FHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3Cc3cccnc3)cc2n1 12223017 KBLKFRRCZICVQI-HNNXBMFYSA-N 361.371 3.789 0 40 FHAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN3Cc3cccnc3)cc2n1 12223018 KBLKFRRCZICVQI-OAHLLOKOSA-N 361.371 3.789 0 40 FHAB COc1cc2cc(CNc3ccc(SC)cc3)c(=O)[nH]c2cc1OC 13086645 ZKVQNMQEACVYCU-UHFFFAOYSA-N 356.447 3.879 0 40 FHAB Cc1cccnc1[C@]1(O)CC[C@H]2CN(Cc3ccc(OC(C)C)cc3)C[C@H]21 13227682 CWALPVSVYPZMFK-WPYKKVEZSA-N 366.505 3.907 0 40 FHAB COc1cccc(C(=O)NCCSc2ccc(Cl)cc2)c1OC 15028483 JUZBHLQWHLROMY-UHFFFAOYSA-N 351.855 3.879 0 40 FHAB Cc1cc(-c2ccccc2)nc(SC[C@@H](O)COc2ccccc2)n1 16283903 RPWKKIAYBCRUPC-KRWDZBQOSA-N 352.459 3.984 0 40 FHAB CCCn1cnc(NC(=O)c2cc(-c3ccccn3)nc3ccc(C)cc23)n1 19665136 ZXBSXEYBWNSCAG-UHFFFAOYSA-N 372.432 3.859 0 40 FHAB O=C1[C@H](C2CCN(c3cnccn3)CC2)CCCCN1Cc1ccccc1 19696351 YWPIRXCYJKTHFJ-FQEVSTJZSA-N 364.493 3.522 0 40 FHAB COc1ccccc1CN1CCCc2c(C)nc(C3CCN(C)CC3)nc21 19705755 WGLRXUMCWYFDSB-UHFFFAOYSA-N 366.509 3.556 0 40 FHAB COC(=O)c1cc2cc(NC(=O)COc3ccc(F)cc3)ccc2s1 19935117 WUHMPYLQJLMZMF-UHFFFAOYSA-N 359.378 3.845 0 40 FHAB CCN1C(=O)S/C(=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1=O 6325793 ADHWBXVQSKKTMV-OQLLNIDSSA-N 374.374 3.920 0 40 FHAB Cc1cccc(C)c1[C@H]1CCCN1C(=O)NCc1ccc(CO)c(F)c1 663892352 DHUYEOBIRLIZFD-LJQANCHMSA-N 356.441 3.982 0 40 FHAB COc1ccc(CCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 9052710 VPLQCUZRSFEVGX-UHFFFAOYSA-N 366.461 3.505 0 40 FHAB O=C1NC2(CCCCCC2)C(=O)N1Cc1cccc(Br)c1 4469612 NWEQCTUIKRKGLZ-UHFFFAOYSA-N 351.244 3.594 0 40 FHAB COC(=O)c1ccc2c(O)nc(/C(Cl)=C/c3ccccc3F)nc2c1 22461126 NQMUHBIRPMYYDT-JYRVWZFOSA-N 358.756 3.998 0 40 FHAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccc(F)cc2Cl)cc1 36775896 TVQRQDUZWSCLCK-UHFFFAOYSA-N 357.772 3.696 0 40 FHAB O=C(Nc1ccccc1)N1CC[C@@H](Oc2ncccc2Br)C1 238974878 ZSRQAYNRHFVYON-CYBMUJFWSA-N 362.227 3.529 0 40 FHAB COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cccc(C)c1 4033128 MVXTXFKMSGJHKN-UHFFFAOYSA-N 358.401 3.966 0 40 FHAB COc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCCC3)c2c1 12437791 GFQYEFAAFXKTMC-UHFFFAOYSA-N 368.458 3.676 0 40 FHAB Cc1noc(C)c1CC(=O)Nc1ccccc1-c1cn2c(n1)CCCC2 575620297 PSAQXLBNIXMHEC-UHFFFAOYSA-N 350.422 3.672 0 40 FHAB O=C(c1csc(-c2ccccc2)n1)N1CCC[C@H](Oc2ccncc2)C1 575613818 VCVYBVJYLUOSLB-KRWDZBQOSA-N 365.458 3.889 0 40 FHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccc(CN3CCCC3=O)cc1)C2 104770390 VWMAQJPHLKLUTC-SVMVAKDDSA-N 354.494 3.754 0 40 FHAB O=C(CCNc1ncccn1)Nc1ncc(Cc2cccc(Cl)c2)s1 40145266 FPZFHGMCAHLECR-UHFFFAOYSA-N 373.869 3.618 0 40 FHAB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2)N2C(=O)[C@@H](C)SC2=N1 2463301 HGLRNHIMODHMIS-CZUORRHYSA-N 358.463 3.534 0 40 FHAB CCOC(=O)c1c(NC(=O)CN(C)C2CCCCC2)sc(C)c1C 1930780 UVVDSPUWLGISHH-UHFFFAOYSA-N 352.500 3.745 0 40 FHAB CCCc1nc2sc3c(N[C@H](CC)CO)ncnc3c2c2c1CCC2 2449335 FCZOYQBLWMWKPS-LLVKDONJSA-N 356.495 3.864 0 40 FHAB CCCCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccoc1C 4373226 XDNJVLBRMYHSFC-UHFFFAOYSA-N 374.466 3.648 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)n1C 4860813 MNYWPKLKIPLNRI-UHFFFAOYSA-N 362.842 3.768 0 40 FHAB COc1ccc(CCSc2nnc3c(n2)[nH]c2ccc(OC)cc23)cc1 6230376 LEPKUIFXIVCHBQ-UHFFFAOYSA-N 366.446 3.858 0 40 FHAB CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 6706721 RKQQCHSXAGTHCX-UHFFFAOYSA-N 366.870 3.589 0 40 FHAB COC(=O)[C@@H]1CCCCN1Cc1csc(Cc2ccc(Cl)cc2)n1 29710672 MRXMGCPLGOCXRM-INIZCTEOSA-N 364.898 3.915 0 40 FHAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1noc(-c2cccc(Cl)c2)n1 32623273 NKUMSDZENHFCLT-SNVBAGLBSA-N 361.760 3.935 0 40 FHAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2noc(-c3ccc(F)cc3)n2)c1 32624285 KJKQHSAEXYZOLO-ZDUSSCGKSA-N 355.369 3.899 0 40 FHAB O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccccc1Cl 8380110 CURHGDKEAGISDL-UHFFFAOYSA-N 355.810 3.759 0 40 FHAB Cc1cc(NC(=S)NCCc2ccccc2)ccc1N1CCCC1=O 10951257 NUVJXGPLZSOQOT-UHFFFAOYSA-N 353.491 3.651 0 40 FHAB COc1ccc2o/c(=N\c3ccccc3Br)c(C(N)=O)cc2c1 100367096 ISEVZPRITQOXQH-JZJYNLBNSA-N 373.206 3.535 0 40 FHAB O=C(COc1ccccc1)Nc1nonc1-c1ccc(Br)cc1 11916591 PFOLLWNJGHNZBP-UHFFFAOYSA-N 374.194 3.517 0 40 FHAB COc1cc([C@H]2C3=C(O)CCCC3=Nc3onc(C)c32)cc(OC)c1O 102731618 YUUXJBHFIOQOAS-MRXNPFEDSA-N 356.378 3.920 0 40 FHAB O=C(/C=C/c1cccs1)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 9062508 ZPWYZTKRYPFPST-BQYQJAHWSA-N 358.404 3.827 0 40 FHAB Cc1ccccc1CN1CCN([C@@H](C)c2nnc(-c3ccccc3)o2)CC1 22025279 VUGFRLGMOHANCI-SFHVURJKSA-N 362.477 3.924 0 40 FHAB CCn1c(S)nc2cc(C(=O)Nc3ccc(SC)cc3)ccc2c1=O 12039882 UXQSHJOQXSMQRS-UHFFFAOYSA-N 371.487 3.679 0 40 FHAB CN(c1ccccc1C(=O)N1CCCCCC1)S(=O)(=O)c1ccccc1 682171 JGUMGUQMWOKONX-UHFFFAOYSA-N 372.490 3.528 0 40 FHAB O=C(Nc1nccs1)c1cc(Br)ccc1Br 682380 JTGFZJCHRXHNCY-UHFFFAOYSA-N 362.046 3.920 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C)cc1 644623 XHABKXLRHLBSMZ-UHFFFAOYSA-N 370.268 3.957 0 40 FHAB COc1cc(Br)c([C@H](C)NC(=O)c2ccccc2)cc1OC 668023 BLBQXCILEBAXRY-NSHDSACASA-N 364.239 3.957 0 40 FHAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 2734618 DLERBDLFWJCZBV-LLVKDONJSA-N 374.264 3.562 0 40 FHAB O[C@@H]1CCCN(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)C1 70945256 LVSORXTTZGOBNZ-QGZVFWFLSA-N 355.869 3.695 0 40 FHAB COc1cc(OC)c(NS(=O)(=O)c2ccc(F)cc2C)cc1Cl 22842509 MZGPVENLSCTMFX-UHFFFAOYSA-N 359.806 3.606 0 40 FHAB CC[C@H](NS(=O)(=O)c1c(C)nn(C(F)F)c1C)c1ccc(C)cc1 2804068 NMEGIEQEANPDJT-AWEZNQCLSA-N 357.426 3.633 0 40 FHAB O=C1C[C@H](Nc2ccc(F)cc2)C(=O)N1c1ccc(N2CCCCC2)cc1 100865605 VPPZFNIWYIBIFJ-IBGZPJMESA-N 367.424 3.560 0 40 FHAB FC(F)Oc1ccc(C2=Nn3c(nnc3-c3ccccc3)SC2)cc1 22764403 IWRAHIZMEVSJGK-UHFFFAOYSA-N 358.373 3.905 0 40 FHAB Fc1ccc(-c2cnc(CN3CCN(c4ccc(F)cc4)CC3)o2)cc1 57438910 VSIKYEASSULSTB-UHFFFAOYSA-N 355.388 3.942 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 12597871 IBXLJZUAFUKTFR-KRWDZBQOSA-N 355.457 3.592 0 40 FHAB COc1ccc(-c2cnn3c2N=C(O)C[C@H]3C(=O)Nc2ccccc2)cc1 35685108 CROVIRWZMAGZBK-KRWDZBQOSA-N 362.389 3.730 0 40 FHAB C[C@H](OC(=O)c1cnc(Cl)c(Cl)c1)C(=O)N[C@@H]1CCCC[C@@H]1C 108854406 YXZMCYKWMPWFIF-OUJBWJOFSA-N 359.253 3.629 0 40 FHAB O=C(COC(=O)c1ccc2ccccc2n1)NCC1(c2ccccc2)CCC1 22493592 PEEIAPKUKFOZDE-UHFFFAOYSA-N 374.440 3.630 0 40 FHAB COc1ccc(CN(C)C(=O)COc2ccc(C(C)C)cc2)cc1OC 22524749 OHPPYMNEPAIOBQ-UHFFFAOYSA-N 357.450 3.865 0 40 FHAB Cc1ccc(NC(=O)CCNC(=O)c2sccc2-c2ccccc2)nc1 58151061 PDLMXYQMRIAGQR-UHFFFAOYSA-N 365.458 3.877 0 40 FHAB O=C(NCC[C@@H]1CCCO1)c1[nH]c2ccc(Br)cc2c1Cl 58367429 SECUHOMITSGPRW-JTQLQIEISA-N 371.662 3.883 0 40 FHAB O=C(CNc1ccccc1N1CCCC1=O)Nc1ccc(F)cc1Cl 12606242 ZGIFVVXKNGEILF-UHFFFAOYSA-N 361.804 3.657 0 40 FHAB CC1(C)Cc2nc3sc4c(=O)oc(C(F)(F)F)nc4c3cc2CO1 2252419 CHWFLBYJTBUUPD-UHFFFAOYSA-N 356.325 3.668 0 40 FHAB CC(=O)Nc1cccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 10544657 FPLOHZHKXNDGPG-MRXNPFEDSA-N 362.433 3.541 0 40 FHAB CCn1c(NC(=O)COCc2nc3ccccc3s2)nc2ccccc21 10651855 BDPXMFITYPYHEG-UHFFFAOYSA-N 366.446 3.821 0 40 FHAB C[C@@H]1CN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C[C@@H](C)O1 20572405 UXRFYEJEGFGHJL-RKDXNWHRSA-N 351.661 3.695 0 40 FHAB Cc1nn([C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)c1C 2359167 MDHRYGIAHCNGHG-AWEZNQCLSA-N 352.221 3.620 0 40 FHAB O=S(=O)(c1cccc(Cl)c1)N1CCN(c2cccc(Cl)c2)CC1 3362575 BALLZRGTQIZXGM-UHFFFAOYSA-N 371.289 3.504 0 40 FHAB O=Cc1ccc(OCc2nnc(-c3ccccc3Br)o2)cc1 3351069 SMDGFXRPVVEBQD-UHFFFAOYSA-N 359.179 3.891 0 40 FHAB CS(=O)(=O)N1CCCc2cc(-c3csc(-c4ccco4)n3)ccc21 25204663 BIWSTSOXBWAXLJ-UHFFFAOYSA-N 360.460 3.782 0 40 FHAB O=C(O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(C(=O)O)c1 3893693 XHMPEAJSWDKLQI-UHFFFAOYSA-N 354.145 3.642 0 40 FHAB CCc1ccc(-c2noc([C@@H]3CC(=O)N(CCc4ccccc4)C3)n2)cc1 38924010 SQGKFTVUWCXMRZ-LJQANCHMSA-N 361.445 3.858 0 40 FHAB O=C(COC(=O)c1n[nH]c2ccccc12)Nc1cc(Cl)ccc1Cl 6370915 RVPAVHWMPUXWOS-UHFFFAOYSA-N 364.188 3.665 0 40 FHAB COC(=O)c1ccc2nc(NC(=O)COc3ccc(C)cc3C)sc2c1 20412408 ATKAQYYNJKXJSP-UHFFFAOYSA-N 370.430 3.717 0 40 FHAB O=C(Nc1cccnc1)c1cc(Br)cc(Br)c1 5338170 UJINHWSBMCSOAY-UHFFFAOYSA-N 356.017 3.859 0 40 FHAB O=C(Nc1ccc(-c2nn3cnnc3s2)cc1)c1cccc(Cl)c1 6471354 HPMRPMAPACQRKY-UHFFFAOYSA-N 355.810 3.759 0 40 FHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N[C@@H](C)c2ccco2)cc1 14185401 LZADBOJMJLFIJL-AWEZNQCLSA-N 373.412 3.778 0 40 FHAB Fc1ccc(CN2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cc1 306134545 NRAQIDKPUFETEM-LJQANCHMSA-N 373.435 3.920 0 40 FHAB COc1ccccc1NC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 4579436 AHYRVDWHDUBZLI-NBVRZTHBSA-N 362.385 3.698 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1nonc1-c1ccc(C)cc1 5451853 AZMRQZDIVREKBW-INIZCTEOSA-N 355.369 3.980 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)/C(C)=C\c2ccccc2)cc1 4696204 NIUFXTILISZDNA-NXVVXOECSA-N 372.490 3.759 0 40 FHAB C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 15197048 VXMWKALPOFBINF-CQSZACIVSA-N 359.491 3.879 0 40 FHAB COc1ccc(CN(C)Cc2nc(-c3ccccc3C)no2)cc1OC 15298107 HNDWBFBQCZYPKG-UHFFFAOYSA-N 353.422 3.694 0 40 FHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc2ccccc2s1 8735557 DNKZGUZZEFTOGC-LBPRGKRZSA-N 355.419 3.550 0 40 FHAB CC1=C(C(=O)OC(C)C)[C@H](c2cccc(O)c2)n2c(nc3ccccc32)N1 8739074 ZBCPCWFJHNFDPH-IBGZPJMESA-N 363.417 3.982 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2Cl)c1C 7130701 PGOJDZQVNDUJLG-LBPRGKRZSA-N 362.813 3.672 0 40 FHAB NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)c(Cl)c2)n1 408693666 BPUXTVRHQXIXMA-UHFFFAOYSA-N 367.623 3.993 0 40 FHAB Cc1cc(C)c(CNC(=O)c2c(-c3ccccc3Cl)noc2C)c(=O)[nH]1 7118018 RJSFPSDMDXULAF-UHFFFAOYSA-N 371.824 3.539 0 40 FHAB Cc1cc(S(=O)(=O)NC[C@H](C)c2ccccc2)ccc1Br 15584339 VQNDZQYEPKTTMO-ZDUSSCGKSA-N 368.296 3.840 0 40 FHAB Cc1ccc2nc3c(cc2c1)CCN3S(=O)(=O)c1ccc(Cl)cc1 15841875 HWPQAKZDZJPEHA-UHFFFAOYSA-N 358.850 3.948 0 40 FHAB CC(C)N(CCNC(=O)COc1ccc2oc3c(c2c1)CCCC3)C(C)C 15940954 CSQCEQFWLZUEMK-UHFFFAOYSA-N 372.509 3.925 0 40 FHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccccc1Br 7696751 IORGYIITBDEBQG-UHFFFAOYSA-N 370.250 3.907 0 40 FHAB Cc1ccc2c(CC(=O)NC[C@H]3COc4ccccc4O3)coc2c1C 7756819 LSWAUOLMMAJYBP-INIZCTEOSA-N 351.402 3.548 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1ccncc1 24828825 OYGZWFBCSRMRCB-JTQLQIEISA-N 369.646 3.581 0 40 FHAB CCc1ccccc1N1C[C@@H](c2nnc(NC(=O)C(C)(C)C)s2)CC1=O 9199705 NUGMWEOLKLFSOI-ZDUSSCGKSA-N 372.494 3.606 0 40 FHAB CCN(CC)Cc1ccc(CNC(=O)[C@@H](C)n2cnc3ccccc32)cc1 89968998 QJPXIANJMPZUHN-QGZVFWFLSA-N 364.493 3.756 0 40 FHAB Cc1ccc(S(=O)(=O)C2(C(=O)NC3CCCCC3)CCCC2)cc1C 9513669 MOENABIFXCAWBW-UHFFFAOYSA-N 363.523 3.839 0 40 FHAB O=C(COc1ccccc1F)N1c2ccccc2NC(=O)C12CCCC2 9865800 QMWIEVHMJGGASF-UHFFFAOYSA-N 354.381 3.503 0 40 FHAB Cc1cccc(C(=O)OC[C@H]2CCCO2)c1NC(=O)c1ccccc1F 84224974 VYZFSCNIAMSYKF-CQSZACIVSA-N 357.381 3.722 0 40 FHAB Cc1sc(NC(=O)CN(C)CCOc2cccc(F)c2)c(C)c1C 72304865 RAEHECZIIIDOKD-UHFFFAOYSA-N 350.459 3.762 0 40 FHAB O=C([C@@H]1CSc2ccccc2O1)N1CCC(c2ccc(O)cc2)CC1 84583016 YULXIQYNWLTCKV-SFHVURJKSA-N 355.459 3.652 0 40 FHAB Cc1nn(-c2ccccc2)c(Cl)c1CN1CCc2c(ncn2C2CC2)C1 95394559 GPOGFUOBIQWODV-UHFFFAOYSA-N 367.884 3.924 0 40 FHAB CCOCOc1ccc(CNCc2cnn(Cc3ccccc3)c2)cc1 95462192 YLNZDBUIJCMFAW-UHFFFAOYSA-N 351.450 3.594 0 40 FHAB CO[C@@H]1[C@@H](C)[C@H](NC(=O)Cc2csc(-c3ccsc3)n2)C1(C)C 95987022 KPRCHHHSBVWGKW-NZVBXONLSA-N 350.509 3.590 0 40 FHAB CC(=O)N[C@H]1CCCC[C@@]12CN(Cc1ccc(C(C)(C)C)cc1)CCO2 306127115 FORUAOFMHHWLNJ-RBBKRZOGSA-N 358.526 3.634 0 40 FHAB COC(=O)c1cc(NC(=O)c2cccc3c2O[C@@H](C)[C@H]3C)cc(F)c1F 75093541 KUIKOZYQXOQPKN-ZJUUUORDSA-N 361.344 3.888 0 40 FHAB Fc1cccc(Br)c1CN1CCN(Cc2ccccc2)CC1 22867277 QCYNKJSSSHWLDZ-UHFFFAOYSA-N 363.274 3.906 0 40 FHAB COc1ccc(-c2cnc3n2C[C@H]2CN(Cc4ccsc4)C[C@H]2C3)cc1 306138485 RYSZQEBCAVUKDB-QZTJIDSGSA-N 365.502 3.925 0 40 FHAB O=C(NCc1cc(-c2ccccc2F)on1)c1cc2ccccc2oc1=O 35589927 QVOKYUMYHUERGS-UHFFFAOYSA-N 364.332 3.517 0 40 FHAB Cc1nn(C)c2ncc(C(=O)NCCc3cc(Cl)cc(Cl)c3)cc12 121637961 MAQBNXIYZPEICB-UHFFFAOYSA-N 363.248 3.556 0 40 FHAB CCn1cc(NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)cn1 36616877 NWNIJHIRABHLAV-UHFFFAOYSA-N 374.448 3.565 0 40 FHAB COc1cc2c(cc1OC)[C@H](NC(=O)c1cc3ccccc3n1C)CC2 524732412 ALXGXDLJXUFJGX-MRXNPFEDSA-N 350.418 3.613 0 40 FHAB CCCOc1ccc(N2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C)CC2=O)cc1 408707662 LLGIJSAFRWTNEQ-FRQCXROJSA-N 358.482 3.523 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCN(Cc2ccccc2Cl)C1 38849326 UYMXBJSSZAKPDR-HNNXBMFYSA-N 372.852 3.919 0 40 FHAB O=C(O)c1ccc2c(c1)[C@]1(C[C@H]1c1ccc(Br)cc1)C(=O)N2 217477536 SGRFNIKUQSWNJU-GUYCJALGSA-N 358.191 3.525 0 40 FHAB Cc1cccc(N2CCN(C(=O)CCCOc3ccccc3C)CC2)c1 48373963 KDZNXDPUHZPSII-UHFFFAOYSA-N 352.478 3.811 0 40 FHAB Cc1ccc2oc(-c3cc(N4C[C@H](C(=O)O)CC4=O)ccc3Cl)nc2c1 45887512 ZTYOBGSXVAVMGF-LLVKDONJSA-N 370.792 3.894 0 40 FHAB Cc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 223706169 YJPWJQORJAHQRU-UHFFFAOYSA-N 359.491 3.919 0 40 FHAB CCOC(=O)c1cccc(NC(=S)N[C@H](C)COc2ccccc2)c1 225783445 DFOXLVZGQUBJOI-CQSZACIVSA-N 358.463 3.617 0 40 FHAB O=C(NCc1ccc(F)cc1)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 225740140 HWRNKNCQEDXCPC-GOSISDBHSA-N 365.408 3.737 0 40 FHAB CN(Cc1cccc(F)c1)S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 223745441 WOWKVHFTCCDWAU-UHFFFAOYSA-N 363.454 3.750 0 40 FHAB COc1cc(C)c(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1C 225122284 IRGBLIHYIKAIOX-UHFFFAOYSA-N 355.843 3.775 0 40 FHAB COc1ccccc1OCCNC(=O)CSCc1cc(C)cc(C)c1 223401189 RZLQTSFOWKZGGR-UHFFFAOYSA-N 359.491 3.740 0 40 FHAB CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCCC1=CCCCC1 222975401 MLIXTZHJAKINFY-KRWDZBQOSA-N 372.509 3.829 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=S)NCCc2ccc(OC)cc2)c1 225315572 IRYUYGCPWCKRJW-UHFFFAOYSA-N 372.490 3.709 0 40 FHAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(O[C@@H]2CCOC2)nc1 225707838 PIHRSIHXGITDLP-HXUWFJFHSA-N 374.440 3.769 0 40 FHAB COc1ccc(OCCCC(=O)Nc2nnc(SC(C)C)s2)cc1 224292600 DPVFRODTBHVQRZ-UHFFFAOYSA-N 367.496 3.845 0 40 FHAB c1ccc(CN2CCC3(CC2)NN=C2CCN(Cc4ccccc4)C[C@H]23)cc1 91244422 DRLOKFIDLJPWAC-JOCHJYFZSA-N 374.532 3.503 0 40 FHAB Cc1cccc(OC2CCN(C(=O)CCSc3ccccc3)CC2)n1 96119534 JJZYRHXIMKSMTA-UHFFFAOYSA-N 356.491 3.942 0 40 FHAB CCN(CC)C(=O)COc1ccc2c(c1)OC(C)(C)[C@H]1CC[C@H](C)O[C@H]21 257272323 NBZXYHGKUURCHO-GZRFBZBPSA-N 361.482 3.961 0 40 FHAB Cc1nnc(CN(C)C(=O)N[C@H]2CCCOc3c(Cl)cccc32)s1 660989833 BNLPYRFSQIOEEP-ZDUSSCGKSA-N 366.874 3.555 0 40 FHAB CC(=O)c1cccc(NC(=O)c2coc(NC(=O)c3cc(C)oc3C)n2)c1 90582923 GFLARXOXOKSDGW-UHFFFAOYSA-N 367.361 3.592 0 40 FHAB CC(=O)N1CC[C@@H](NCCCn2c(C)nc3ccccc32)c2ccccc21 621749193 UICSVESMDSVCCZ-LJQANCHMSA-N 362.477 3.822 0 40 FHAB CC[C@@H](C)C[n+]1c(O)cc2nn(-c3nc4ccccc4s3)c(O)c2c1C 49623491 HXDDSWIKIJQYAP-LLVKDONJSA-O 369.470 3.688 0 40 FHAB CC(C)(C)S(=O)(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 64663315 BVOYVPCVSXIWAY-UHFFFAOYSA-N 373.522 3.508 0 40 FHAB CN(CCCNC(=O)Nc1ccc2c(c1)OCCCO2)c1ccccc1F 78648234 OOVSBUQNSZFIMP-UHFFFAOYSA-N 373.428 3.635 0 40 FHAB CC(C)C[C@H](NC(=O)c1ccccc1)c1nc2c3ccccc3ncn2n1 1615055874 RWIHPGLYWUFESL-SFHVURJKSA-N 359.433 3.795 0 40 FHAB O=C(c1cccs1)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F 5015766 WJFUZIUWDZHJLU-AWEZNQCLSA-N 374.771 3.903 0 40 FHAB O=C(CCN1C(=O)CSc2ccccc21)N[C@@H]1CCCc2ccccc21 5404749 SZILKSFWSVMCGU-QGZVFWFLSA-N 366.486 3.709 0 40 FHAB Cc1cc(-c2cnc(NCCN3CCC(C)CC3)nc2-c2ccco2)on1 12184400 ZVABRUJLVBCIGV-UHFFFAOYSA-N 367.453 3.844 0 40 FHAB COc1ccccc1CC(=O)OCc1nc(-c2ccc(Cl)cc2)no1 12575035 HUONMCJVSTVWDA-UHFFFAOYSA-N 358.781 3.685 0 40 FHAB O=C(CCCNC(=O)c1ccsc1)Nc1cccc(C(F)(F)F)c1 12980736 YIQGWWVMQUGCJU-UHFFFAOYSA-N 356.369 3.916 0 40 FHAB Cc1nc(C)c(CC(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)s1 19560388 NMRQCUXHRFBLLU-HNNXBMFYSA-N 362.470 3.759 0 40 FHAB C[C@H](NC(=O)COc1ccc(F)cc1)c1cccc(Br)c1 19935111 JXCLZDLVXHGSLJ-NSHDSACASA-N 352.203 3.844 0 40 FHAB NC(=O)c1ccccc1Nc1ccc(-c2cn(Cc3ccccc3)nn2)cc1 169312799 YMPVECIMQAQHDJ-UHFFFAOYSA-N 369.428 3.836 0 40 FHAB COc1cc(NC(=O)COc2cc(C)cc(C)c2)cc2sc(N)nc12 226312423 SLZJVLNFESIBOU-UHFFFAOYSA-N 357.435 3.521 0 40 FHAB CCCNCC(=O)Nc1scc(-c2cccs2)c1C(=O)OCC 6784898 RBTXPEBFCGMZOW-UHFFFAOYSA-N 352.481 3.591 0 40 FHAB Cc1nc(N2CCC(O)(c3ccc(Cl)cc3)CC2)cc(C(F)(F)F)n1 2086939569 QFBJMXFULPPPKO-UHFFFAOYSA-N 371.790 3.945 0 40 FHAB O=C(c1cc(=O)c(OCc2ccc(F)cc2)co1)N1CCc2ccccc21 11856817 HHMYFGUFXARIMX-UHFFFAOYSA-N 365.360 3.561 0 40 FHAB Cc1ccc2nc(C)c(NC(=O)c3ccccc3C(F)(F)F)c(=O)n2c1 12180759 FGSJEHRPDXLCRL-UHFFFAOYSA-N 361.323 3.582 0 40 FHAB Cc1cc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(C)cccc3s2)on1 12422324 AIYHVKYICCKORF-ZDUSSCGKSA-N 357.435 3.727 0 40 FHAB O=C(Cc1ccc(NC(=O)c2cccc(F)c2)cc1)NCc1cccs1 13716630 CMFXYACUJFYDEF-UHFFFAOYSA-N 368.433 3.998 0 40 FHAB CS(=O)(=O)c1ccc(N2CCN(c3cccc4sccc34)CC2)cc1 2298117630 ALOVDVZPVBLHAU-UHFFFAOYSA-N 372.515 3.631 0 40 FHAB CCc1cc2c(N[C@@H](CCSC)C(=O)O)nc(C(C)C)nc2s1 8704568 UOLMHCPXBOGLCF-LBPRGKRZSA-N 353.513 3.995 0 40 FHAB COc1ccccc1/C=C/C=C/[C@@]12NC(=O)CN1c1ccccc1C2(C)C 3999948 CAVPWUNTQPMSRW-VHMDBTILSA-N 360.457 3.889 0 40 FHAB biogenic CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C)cc1 20595038 DDJAULRYUPRTGI-MRXNPFEDSA-N 366.527 3.512 0 40 FHAB CCC[C@@H]1CCCN(C(=O)Nc2ccccc2N2CCN(CC)CC2)C1 152401740 PLTFOJXWEBIUFQ-GOSISDBHSA-N 358.530 3.873 0 40 FHAB CN(Cc1cccc(C(N)=O)c1)C(=O)Cc1coc2ccc3ccccc3c12 40157291 ZWEJWXRKVWHPBX-UHFFFAOYSA-N 372.424 3.886 0 40 FHAB CCOC(=O)c1csc(NC(=O)Cc2c(Cl)cccc2Cl)n1 40159774 SOIUDJVJNINJFX-UHFFFAOYSA-N 359.234 3.808 0 40 FHAB Cc1cccc(C)c1NC1=NN=C(c2ccc3c(c2)OCCO3)CS1 7849231 XMPXVHHTHBYMJU-UHFFFAOYSA-N 353.447 3.994 0 40 FHAB O=C(NCc1ccc(NC(=O)c2ccco2)cc1)Nc1ccccc1F 11562987 DIWKOGRECFUKCZ-UHFFFAOYSA-N 353.353 3.993 0 40 FHAB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(Cc2ccccc2)n1C 877665 WNBRJBOLIYIKJP-HNNXBMFYSA-N 366.490 3.834 0 40 FHAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)c1ccccc1F 929265 DXSHEMCWPLGDSK-UHFFFAOYSA-N 364.405 3.930 0 40 FHAB O=C(c1ccc(Cl)cc1)c1ccc(CN2CCC3(CC2)OCCO3)cc1 2514731 JFSYWTGKJJTZFL-UHFFFAOYSA-N 371.864 3.910 0 40 FHAB CC(=O)NCc1ccc(C(=O)CSc2ccc(C(F)(F)F)cn2)cc1 31743339 YJUVSHCCDHHDRU-UHFFFAOYSA-N 368.380 3.712 0 40 FHAB Cc1nnc(NC(=O)CSc2nc(C(C)C)nc3ccccc23)s1 1342956 UDTGGEHYKCUCGD-UHFFFAOYSA-N 359.480 3.644 0 40 FHAB COC(=O)C[C@@H](NC(=O)N[C@H](C)c1ccccc1F)c1cccs1 29330376 DCQFFVFOYYGJCY-BXUZGUMPSA-N 350.415 3.552 0 40 FHAB CCCn1cnc2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 4384595 RVSAUPLDSACASK-UHFFFAOYSA-N 369.421 3.724 0 40 FHAB CCN(CC)C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 6553211 MUOBXAOSGDGQOU-UHFFFAOYSA-N 360.479 3.586 0 40 FHAB CCN(C(=O)CSc1nc(-c2ccc(OC)cc2)n[nH]1)c1ccccc1 6888399 YJASLYFTACWGKX-UHFFFAOYSA-N 368.462 3.626 0 40 FHAB CSc1nc2nc(C)c(CCC(=O)Nc3ccc(C)c(C)c3)c(C)n2n1 7666908 CJYWPJKOYQVILB-UHFFFAOYSA-N 369.494 3.651 0 40 FHAB C[C@H](Sc1cc(C(N)=O)c2ccccc2n1)c1nc(C(C)(C)C)no1 32754591 XGEBBQPEOHHGQL-JTQLQIEISA-N 356.451 3.868 0 40 FHAB O=C(NO[C@@H]1CCCCO1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 60333190 GXJQFNOGFMGOAA-WOJBJXKFSA-N 365.433 3.568 0 40 FHAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)NC(C)C 8049969 YIPYZGVWMIKPFI-QGZVFWFLSA-N 370.449 3.630 0 40 FHAB Cc1ccc(OC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc1 102616744 OWXJDIANIZXZCB-IQGAEYHTSA-N 373.408 3.526 0 40 FHAB CCN1CCN(c2ccc(NC(=O)[C@H](C)Sc3ccccc3)cc2)CC1 11944888 MGQGBAYWEYXKRN-KRWDZBQOSA-N 369.534 3.948 0 40 FHAB Fc1ccc(-n2nnnc2/C=C\Nc2ccc(Br)cc2)cc1 100209581 FJFBATRFEXOESD-KTKRTIGZSA-N 360.190 3.647 0 40 FHAB Cc1ccc(CCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 11990513 ARNPXZLRHFJVLI-ZDUSSCGKSA-N 356.491 3.852 0 40 FHAB CC(=O)[C@@]1(C)[C@@H]2[C@@H]3CC[C@H]4O[C@H]5O[C@@H]6CC[C@@H]7[C@H]6[C@H]1[C@H]1[C@H]2[C@@H]([C@H]34)[C@]5(C)[C@@H]71 104294560 RCDJTDHAGCPXDZ-LMNYESLBSA-N 354.490 3.516 0 40 FHAB CC(C)[C@@H](O)C(C)(C)CNC(=O)c1ccc(COc2ccccc2F)o1 89791163 YPESFYSFBQIHFV-GOSISDBHSA-N 363.429 3.771 0 40 FHAB CC[C@H](C)C(=O)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 42036604 FTEVEPTXLREQKX-NWDGAFQWSA-N 354.376 3.500 0 40 FHAB O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)NC1CCCC1 807931 BNCIXUGGASNLLV-UHFFFAOYSA-N 352.459 3.993 0 40 FHAB Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCCC4)c3n2)cc1 815345 QBALNQIVYKVDOM-UHFFFAOYSA-N 356.376 3.878 0 40 FHAB COc1cccc(CN2CCC[C@@H](C(=O)N(C)Cc3ccccc3)C2)c1 2734647 AWDZNNJDCUIACW-HXUWFJFHSA-N 352.478 3.566 0 40 FHAB CCc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)n1C 905547 HELXTSGYGHYSQW-UHFFFAOYSA-N 367.474 3.535 0 40 FHAB O=C(Nc1nc2ccccc2s1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 27985564 FRDQNADSMHTJPV-NSHDSACASA-N 371.849 3.941 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCC(=O)c1ccc(C)s1 24201473 RAPQOBKXXYFKMS-KRWDZBQOSA-N 369.442 3.747 0 40 FHAB O=C(NCCOc1ccccc1)c1cc2cc(Br)ccc2[nH]1 24765503 PMULYJSOSINNKA-UHFFFAOYSA-N 359.223 3.739 0 40 FHAB Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc(OCC(F)F)n1)CCC2 89808635 AVLFVFAXRCCFOF-ZDUSSCGKSA-N 367.421 3.640 0 40 FHAB O=C(Nc1cccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c1)c1cccs1 25209945 KFAOUBUKXMLSPY-CABCVRRESA-N 370.430 3.606 0 40 FHAB CN(Cc1ccc(OC(F)F)cc1)Cc1nc(O)c2sccc2n1 35268033 PSDGMYSSDJLWNN-UHFFFAOYSA-N 351.378 3.630 0 40 FHAB CCCc1nnc(SCC(=O)Nc2cccc(Br)c2)o1 20033813 PQJDPFICGYZJRE-UHFFFAOYSA-N 356.245 3.515 0 40 FHAB CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 22623925 YZCOIYBCKYVQEN-ZDUSSCGKSA-N 364.442 3.545 0 40 FHAB COc1cc(C(=O)N(Cc2ccc(C)cc2)C2CC2)cc(OC)c1OC 25292971 TVCSKTGGAZAOGW-UHFFFAOYSA-N 355.434 3.826 0 40 FHAB CC[C@@H](CO)Nc1nc(-n2nc(C)cc2C)nc2sc3c(c12)CCCC3 28286579 UJQMUHDNYPXODX-ZDUSSCGKSA-N 371.510 3.555 0 40 FHAB O=C(Nc1ccc(CNCc2cccc3c2OCCO3)cc1)c1ccco1 58195497 OAQADVLUOJRYMS-UHFFFAOYSA-N 364.401 3.593 0 40 FHAB COc1ccc2[nH]cc(C3=CCN(Cc4nc(C5CC5)no4)CC3)c2c1 58161600 KPUSQQRKQHLHKM-UHFFFAOYSA-N 350.422 3.726 0 40 FHAB O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)N1CCC[C@@H]1c1ccncc1 58217041 GFMYNIWLUQZLBG-OXQOHEQNSA-N 368.456 3.594 0 40 FHAB CCCNC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 2179449 QXGNNQBRXNALCC-OAQYLSRUSA-N 368.502 3.643 0 40 FHAB O=C(CN1CCN(C2CCCCC2)CC1)Nc1cccc2ccccc12 22586043 VQPNYSARBGVTPR-UHFFFAOYSA-N 351.494 3.729 0 40 FHAB CCc1ccc(NC(=O)CCC(=O)Nc2nnc(CC(C)C)s2)cc1 2244973 NXKFPENBZRKWJV-UHFFFAOYSA-N 360.483 3.656 0 40 FHAB C[C@H](Sc1nnc(-c2ccccc2)n1C)C(=O)N(C)c1ccccc1 3361781 CVMKDXDDUAOHSY-AWEZNQCLSA-N 352.463 3.626 0 40 FHAB O=C(COC(=O)c1cccc(Cl)c1Cl)Nc1ccc2c(c1)OCO2 3369568 BICPNQOJGBINNF-UHFFFAOYSA-N 368.172 3.518 0 40 FHAB Cc1ccc(Cn2nc(C)c3cc(C(=O)NC[C@@H]4CCCO4)sc32)cc1 8265713 KETXIUUQEDNWEL-INIZCTEOSA-N 369.490 3.672 0 40 FHAB O=C(Nc1ccc(F)cc1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12972448 OREFWMUCMHWXBM-FRXJQHJJSA-N 370.468 3.972 0 40 FHAB Cc1cc(NC(=O)c2cc(-c3ccco3)[nH]n2)n(-c2ccc(F)cc2)n1 28306389 SINIIIAYWPEXPX-UHFFFAOYSA-N 351.341 3.555 0 40 FHAB CCOC(=O)c1sc(NC(=O)COc2ccc3ccccc3c2)nc1C 6047292 VNRPUQHTYIKNCT-UHFFFAOYSA-N 370.430 3.799 0 40 FHAB O=c1/c(=C/c2cccc(Cl)c2)sc2nc(-c3cccc(Cl)c3)nn12 5047162 RSRISKSEQPXQIP-ZSOIEALJSA-N 374.252 3.673 0 40 FHAB CC(C)CCC[C@@H](C)NC(=O)CCCNc1nc(Cl)nc2[nH]cnc12 8992584 QRFQVOZSQGXTIV-GFCCVEGCSA-N 366.897 3.529 0 40 FHAB CO[C@@H](C(=O)NCCc1cc(Br)ccc1F)c1ccccc1 65568811 HXCIZOYVGGFRQY-MRXNPFEDSA-N 366.230 3.635 0 40 FHAB CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccccc2F)N(C)C(=O)N1C 14120399 PWSPLQJMLBAKLF-GOSISDBHSA-N 371.387 3.916 0 40 FHAB CCn1c(S[C@H](C)C(=O)NCc2ccc(Cl)cc2)nnc1C1CC1 14161019 VOOKSUZWHUUJND-LLVKDONJSA-N 364.902 3.626 0 40 FHAB O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCN(c2ccccc2)CC1 14205338 NYBLUQHRBGAYOA-UHFFFAOYSA-N 366.852 3.693 0 40 FHAB COc1cc(CC(=O)NCC23CC4CC(CC(C4)C2)C3)cc(OC)c1OC 6559892 HMGRGSPDGMSUSR-UHFFFAOYSA-N 373.493 3.588 0 40 FHAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)OC(C)(C)C)cc1 6542615 FOKPFFHZSBJBLK-UHFFFAOYSA-N 354.402 3.725 0 40 FHAB C[C@H]1CCN(C(=O)COc2ccc3c(c2)OCO3)c2ccccc2S1 6654534 SGWJNDXBKLJDHG-ZDUSSCGKSA-N 357.431 3.712 0 40 FHAB Cc1ccc2[nH]c(C)c(CC(=O)N3CCN(c4ccc(F)cc4)CC3)c2c1 4749290 OILLQJNUFTVQQB-UHFFFAOYSA-N 365.452 3.815 0 40 FHAB COc1ccccc1C(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 14805376 HNIXMXNQIRHODI-UHFFFAOYSA-N 370.792 3.778 0 40 FHAB CCN(C(=O)c1ccc(S(C)(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2 6875165 FGIQPZHNQLODRS-UHFFFAOYSA-N 361.507 3.521 0 40 FHAB O=C(N[C@@H]1CCCc2ccccc21)c1cccc(NC(=O)[C@H]2CCCO2)c1 24604292 VUCWXLWQBDVLPZ-WOJBJXKFSA-N 364.445 3.612 0 40 FHAB Cc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(Cl)cc(Cl)c2)cc1 5929360 VVDLENFLZYJYAZ-UHFFFAOYSA-N 374.245 3.582 0 40 FHAB CCOc1ccc2ccccc2c1[C@H]1NC(N)=Nc2nc3ccccc3n21 7127008 YZRMXILTRJKCRY-IBGZPJMESA-N 357.417 3.685 0 40 FHAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)Cc1ccc(Cl)cc1Cl 18700474 QBBUHDZRBXSXTG-UHFFFAOYSA-N 372.273 3.887 0 40 FHAB Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)N2CCCC2)o1 15860226 BACKSAYIAVCDJY-KRWDZBQOSA-N 362.857 3.574 0 40 FHAB O=C(CCN1CCCC1=O)Nc1ccc(-c2nc3ccccc3s2)cc1 67963650 MFZRAHJFJTZVGJ-UHFFFAOYSA-N 365.458 3.914 0 40 FHAB COc1ccc([C@@H]2SC=C3Sc4nnc(C(F)(F)F)n4N32)cc1 20723183 UDPARUGVCSVFGP-JTQLQIEISA-N 358.370 3.594 0 40 FHAB CN(C)C(=O)COC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 7701875 FLVWPCZJMRXMCP-UHFFFAOYSA-N 369.461 3.808 0 40 FHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@H]2c1cccc(OC(C)C)c1 71281198 SSUMODMIMRCJEA-INIZCTEOSA-N 371.437 3.665 0 40 FHAB O=C(CCc1nc(-c2ccsc2)no1)NC12CC3CC(CC(C3)C1)C2 9112797 VEHMQGXBMVRNNH-UHFFFAOYSA-N 357.479 3.816 0 40 FHAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC2)c1ccco1 9365933 VUKATVVFEUFQJP-HXUWFJFHSA-N 374.440 3.748 0 40 FHAB CC(C)(C)c1nnc(NC(=O)Cn2c(C3CC3)nc3ccccc32)s1 84325393 SQOAKQPVNPJDID-UHFFFAOYSA-N 355.467 3.701 0 40 FHAB CC(=O)Nc1cccc(NC(=O)c2cc(-c3ccccc3Cl)nn2C)c1 72405209 GJDHFFSREHEELC-UHFFFAOYSA-N 368.824 3.951 0 40 FHAB O=C(NCc1cccc(Cn2cnc3ccccc32)c1)c1ccccc1O 84500174 VFEOMKSMHBPUBJ-UHFFFAOYSA-N 357.413 3.720 0 40 FHAB COC(=O)c1oc([C@@H](C)N(C)[C@@H]2CCCN(c3ccccc3)C2=O)cc1C 95432495 GKNGYHBBIWEPBN-NVXWUHKLSA-N 370.449 3.563 0 40 FHAB CCc1ccc(NC(=O)[C@H](C)OC(=O)C[C@@H](C)c2c(C)n[nH]c2C)cc1 95444001 KNSRELBKVQUWPI-DOMZBBRYSA-N 357.454 3.653 0 40 FHAB FC(F)[C@H](CCc1ccccc1)NCc1ccc(Cn2cncn2)cc1 95466820 JZHGOZBSBKIMHY-IBGZPJMESA-N 356.420 3.683 0 40 FHAB CCO[C@H](C)c1nccn1Cc1ccc(I)cc1 95977995 LSIDKLFCFVQXOS-LLVKDONJSA-N 356.207 3.634 0 40 FHAB Nc1cc(Cl)ccc1NC(=O)c1ccccc1I 21961840 NVTDLYSNBQVIJU-UHFFFAOYSA-N 372.593 3.779 0 40 FHAB Cc1ccc(-c2nnc(CN(C)C(=O)COc3cc(C)cc(C)c3)o2)cc1 408714967 ZPIWWBRNYLKJRS-UHFFFAOYSA-N 365.433 3.699 0 40 FHAB O=C(O)c1cc(-c2ccc3c(c2)OCCCO3)nc2onc(C3CC3)c12 62710603 LDUWNWIWDUXAER-UHFFFAOYSA-N 352.346 3.627 0 40 FHAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCCCOC2CCCCC2)cc1 32720460 NZSXOYSLTITNGE-BEFAXECRSA-N 358.482 3.750 0 40 FHAB Cc1nc(C)n(C[C@@H](O)CN2c3ccccc3Sc3ccccc32)n1 36629366 RUEMYGIURPKJER-HNNXBMFYSA-N 352.463 3.559 0 40 FHAB c1ccc(CCCNc2ncc(-c3cnccn3)c(-c3ccco3)n2)nc1 72340312 ROMSPFDJXCZPFB-UHFFFAOYSA-N 358.405 3.633 0 40 FHAB Cc1cc(C)cc(C(=O)N2CCN(CCSc3ccccc3)CC2)c1 32932438 JCTZZPWSISXLOB-UHFFFAOYSA-N 354.519 3.854 0 40 FHAB COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2C)ccc1C 223798318 SDVDBVUBRWRFFH-UHFFFAOYSA-N 353.827 3.544 0 40 FHAB CCN(CC)CCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1 225634940 DBRNPDSYMXHYAD-LAUBAEHRSA-N 362.514 3.941 0 40 FHAB O=C(Nc1ccc2ccnc(O)c2c1)N1CCCN2c3ccccc3C[C@@H]2C1 568994186 CZMWNNGDNVAVSC-GOSISDBHSA-N 374.444 3.609 0 40 FHAB Cc1ccc(NC(=S)NCc2cccc(N3CCCC3=O)c2)c(C)c1 44077889 LIRFVFDBTXRVQF-UHFFFAOYSA-N 353.491 3.917 0 40 FHAB Cc1cc(Br)cc(C)c1NC(=S)NCCCn1ccnc1 225193602 MHFONOJIQPXDTL-UHFFFAOYSA-N 367.316 3.639 0 40 FHAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3C(C)C)ccc21 223188700 ANHRLNBZVPEXHC-UHFFFAOYSA-N 372.490 3.910 0 40 FHAB C[C@@H](c1noc([C@@H]2COCCN2C2CCCC2)n1)c1c(F)cccc1F 574556363 QJBSBEFIWFYLQL-WBMJQRKESA-N 363.408 3.816 0 40 FHAB Cc1nccn1Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 44938427 FQMGNANURFFGRR-UHFFFAOYSA-N 374.444 3.619 0 40 FHAB COc1cccc(-n2cnc3c2[C@H](c2cccnc2)SCC(O)=N3)c1 95473050 ZXCMAPVBVOEEAU-KRWDZBQOSA-N 352.419 3.700 0 40 FHAB CCOc1ccc(NC(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 244205648 VRFZNJTWQDDNTK-UHFFFAOYSA-N 366.461 3.885 0 40 FHAB CCc1ccccc1N(CC(=O)Nc1c(C)cccc1CC)S(C)(=O)=O 243500477 NVFLWABPXYWNGE-UHFFFAOYSA-N 374.506 3.525 0 40 FHAB Cc1ccc(NC(=O)[C@H]2CCCN(c3nc4cc(C)ccc4o3)C2)nc1 604035192 WSNMEIACVJEESV-HNNXBMFYSA-N 350.422 3.695 0 40 FHAB Cc1nc(C(C)C)oc1CN1CCOC[C@@H]1c1nc(-c2ccccc2)no1 585085681 ZTXIPFQGMCXACH-MRXNPFEDSA-N 368.437 3.730 0 40 FHAB COc1cccc(CC(=O)N2C[C@H]3[C@@H](Oc4ccccc4)CC[C@H]3C2)c1 257286924 PNQZSKVYJYXSJA-WMQCIHAUSA-N 351.446 3.554 0 40 FHAB Cc1ncc(-c2cccc(C3CCN(Cc4cncs4)CC3)n2)n1C 257339297 ZBCWBSMBAKXMOC-UHFFFAOYSA-N 353.495 3.627 0 40 FHAB COc1ccc2ccccc2c1CNC[C@@H]1CCCO[C@H]1c1cc[nH]n1 643821202 MDPDUUUPXWCLHR-HRAATJIYSA-N 351.450 3.829 0 40 FHAB Cc1c[nH]c(-c2cc(C[C@H]3CCN(Cc4cccc5[nH]ccc45)C3)ncn2)n1 585182523 AHDOZWVMBULGLP-MRXNPFEDSA-N 372.476 3.721 0 40 FHAB CN(C)C(=O)C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 57277094 APEREKQIDOBCAI-LJQANCHMSA-N 352.478 3.934 0 40 FHAB CC[C@H](Cc1cn(C)c2ccccc12)NC(=O)c1cc(-c2ccco2)[nH]n1 1586816915 TVWMAXLMOBDALP-OAHLLOKOSA-N 362.433 3.913 0 40 FHAB COc1ccc2cnc([C@@H]3CCCN(C(=O)c4ccncc4)C3)cc2c1C 12187861 YIVOZNJUNKUFOV-GOSISDBHSA-N 361.445 3.967 0 40 FHAB CCCOc1ccccc1CN1CCC(O)(c2ccccc2OC)CC1 12344758 BJEGEURKFADBLS-UHFFFAOYSA-N 355.478 3.968 0 40 FHAB CCN(c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1)S(C)(=O)=O 13678064 XKPUZBPGTIWHIK-UHFFFAOYSA-N 368.458 3.878 0 40 FHAB COc1ccc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc1 14795760 PBIZTGUDPMGLQN-UHFFFAOYSA-N 358.463 3.857 0 40 FHAB CC1=NN(c2ccccc2)C(=O)[C@@]1(C)[C@]1(C)C(=O)N(c2ccccc2)N=C1C 16607310 RTKZPUFORVKLBP-VXKWHMMOSA-N 374.444 3.844 0 40 FHAB Cc1occc1-c1nnc(S[C@H](C)C(=O)N(C)Cc2ccccc2)o1 7194738 YISDOTFUYUVHEM-CYBMUJFWSA-N 357.435 3.777 0 40 FHAB CCOC(=O)c1cccc(-n2c(SCC)nc3ccccc3c2=O)c1 1889205648 WWHZKONZDBZLKZ-UHFFFAOYSA-N 354.431 3.674 0 40 FHAB CSc1ccccc1NC(=O)CN(C)[C@H](C)c1nc(C(C)(C)C)no1 31042629 OBEYWCCXYKRXCP-GFCCVEGCSA-N 362.499 3.721 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCCN(C2CCC2)CC1 885936824 MRBLTZJUTCIYHM-UHFFFAOYSA-N 350.890 3.584 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@@H]2C)c(Br)c1 28043938 XJZCYVOAZZDUTI-GXTWGEPZSA-N 360.317 3.957 0 40 FHAB Cc1nccc(CN2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2ccc(F)cc2)n1 2037989074 UHEJTXDWTUTFMQ-UZLBHIALSA-N 354.473 3.804 0 40 FHAB COc1ccc(-n2ccnc2SCC(=O)Nc2cccc(F)c2)cc1 2723182 PUXMJOZTHWYEQZ-UHFFFAOYSA-N 357.410 3.751 0 40 FHAB Cc1ccc(C(=O)N[C@H](Nc2ccccn2)C(Cl)(Cl)Cl)cc1 22608977 PLGBNSMPCMPSLD-AWEZNQCLSA-N 358.656 3.928 0 40 FHAB O=C(NC[C@H](c1ccco1)n1cccn1)c1csc(-c2ccccc2)n1 575613395 GVIFQSSFAYFEEN-MRXNPFEDSA-N 364.430 3.619 0 40 FHAB O=C(NCCn1nc(C2CC2)cc1C1CC1)c1cccc(Br)c1 585300408 ZGNIPPRQNUBRKQ-UHFFFAOYSA-N 374.282 3.830 0 40 FHAB FC(F)(F)c1cccc(N2CCN(Cc3cc(C4CC4)on3)CC2)c1 2298200120 JRRZEKIKMRQCKM-UHFFFAOYSA-N 351.372 3.893 0 40 FHAB Cc1ccc(-c2cc(C(=O)NCc3cn4cc(Cl)ccc4n3)on2)cc1 40091791 AWTPTLFGHQOSCT-UHFFFAOYSA-N 366.808 3.881 0 40 FHAB O=C(CCNC(=O)c1cccs1)OCc1ccc(C(F)(F)F)cc1 30515433 IWHHFDHCGSLDBL-UHFFFAOYSA-N 357.353 3.630 0 40 FHAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(O)cc2)c1 40288627 DOUCMAAYWNGVAK-OAHLLOKOSA-N 365.389 3.719 0 40 FHAB CCCCN(CCCC)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 2494777 CLPSSISZCPBZCB-UHFFFAOYSA-N 360.479 3.996 0 40 FHAB Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@H](c1ccc(Br)cc1)N2 2472044 JXALDTRWDJNKEN-HUUCEWRRSA-N 370.254 3.769 0 40 FHAB CCC(=O)Nc1ccc(-c2csc(NC(=O)c3cccnc3)n2)cc1 11436127 RLGQEXWECCRSLT-UHFFFAOYSA-N 352.419 3.806 0 40 FHAB O=C1c2ccccc2C(=O)N1CNc1ccc(Br)c(Cl)c1 1720667 WLOFIMJESOHQMU-UHFFFAOYSA-N 365.614 3.768 0 40 FHAB CCOc1ccccc1OCC(=O)Nc1cccc(Br)c1 3458268 ANNDBLMODSGGEW-UHFFFAOYSA-N 350.212 3.865 0 40 FHAB Cc1cnc2c(S(=O)(=O)N(C)[C@@H]3CCc4ccccc43)cccc2c1 29391850 QSPWAXYCRZNUMV-GOSISDBHSA-N 352.459 3.851 0 40 FHAB CCc1cc(=O)oc2c3c(ccc12)OCN(CCc1cccc(F)c1)C3 20610287 MUNORMHBKDJKKK-UHFFFAOYSA-N 353.393 3.889 0 40 FHAB biogenic Cc1ccc(-n2cnnc2SCC(=O)N(C)Cc2cccs2)c(C)c1 6106495 QHPGBRWADVMLPD-UHFFFAOYSA-N 372.519 3.696 0 40 FHAB CCOC(=O)Nc1cccc(C(=O)Nc2cccc(N3CCCC3=O)c2)c1 6988666 ZAQSWOHMROZTHS-UHFFFAOYSA-N 367.405 3.634 0 40 FHAB CNC(=O)c1ccc(CN(C)C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 7846936 KXZOFAXMPGUUEU-NTEUORMPSA-N 350.462 3.841 0 40 FHAB Cc1ccc(CCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c(C)c1 10133241 SSMBNCYXCMWPED-UHFFFAOYSA-N 352.478 3.916 0 40 FHAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)C1 29516444 KHGQENNAONECTH-UTSLIXPGSA-N 372.553 3.698 0 40 FHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2)cc1 8413422 GOOFWGXRILIHPJ-UHFFFAOYSA-N 374.824 3.549 0 40 FHAB CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1cccs1)c1ccc(Cl)cc1 32736305 AKEBVBNSAKZYLR-NHYWBVRUSA-N 350.871 3.846 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)NC1CCN(Cc2ccccc2)CC1 32862660 LGHHPGNDIGWJHQ-IBGZPJMESA-N 365.521 3.972 0 40 FHAB CCCn1c(C)cc(C(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)c1C 2646513 HBXQZBLWRBXYPG-UHFFFAOYSA-N 373.497 3.733 0 40 FHAB O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(-c2ccn[nH]2)cc1 32932404 UBAFASXAEDLKJR-UHFFFAOYSA-N 359.351 3.954 0 40 FHAB Cc1cc(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C)c(C)n1C 2621252 ULGYHSMQUJFHGU-UHFFFAOYSA-N 358.442 3.552 0 40 FHAB CCOC(=O)c1cccc(N2CC(O)=C(c3nc(C)c(C)s3)C2=N)c1 102727107 SDCARVSPOOERGL-UHFFFAOYSA-N 357.435 3.703 0 40 FHAB S=c1oc(-c2ccccc2)nn1CN1CCN(Cc2ccccc2)CC1 22029744 ONVSVBRUYFMQPZ-UHFFFAOYSA-N 366.490 3.648 0 40 FHAB Cn1c(=O)c2ccccc2n2c(SCc3ccc(F)cc3Cl)nnc12 8780263 HOFXEWBHRQSHNP-UHFFFAOYSA-N 374.828 3.666 0 40 FHAB CCC[C@@H](C)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 667195 ZIAZYURDKOVDQR-JLTOFOAXSA-N 372.490 3.972 0 40 FHAB Cc1ccc([C@H]2SC[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1 2758837 MTLFXXMQWHBSAV-NVXWUHKLSA-N 361.850 3.989 0 40 FHAB CN1CCN(C(=O)c2cc(Cl)ccc2F)c2nc3ccccc3nc21 22503301 WXIGNFDLLIPRES-UHFFFAOYSA-N 356.788 3.519 0 40 FHAB O=C(NC1CCCC1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 819301 PZFPXRHLKRMYIL-UHFFFAOYSA-N 354.416 3.976 0 40 FHAB COc1ccc(S(=O)(=O)N2CCSc3cc(Cl)ccc32)cc1 3016139 OEGZBMHBIABDED-UHFFFAOYSA-N 355.868 3.650 0 40 FHAB Clc1ccc(OCc2nc3ccccc3n2CN2CCOCC2)cc1 12565734 CSLVZMHHOVMMHO-UHFFFAOYSA-N 357.841 3.558 0 40 FHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(N2CCCC2)cn1 25665461 GPXMQRNNWZUDLW-UHFFFAOYSA-N 364.453 3.568 0 40 FHAB CC[C@@H](C)NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 20241774 LBMIIHJMILENIC-LJQANCHMSA-N 365.521 3.533 0 40 FHAB CCOc1ccccc1NC(=O)COC(=O)c1cnc(Cl)c(Cl)c1 3235534 BZISBLAEKXNEOG-UHFFFAOYSA-N 369.204 3.583 0 40 FHAB CC(=O)N(C)Cc1ccccc1NC(=O)[C@H](C)SCc1ccccc1 44501801 HNJREZUVKHRJBJ-HNNXBMFYSA-N 356.491 3.925 0 40 FHAB CC[C@@H](C(=O)N1CCC(NC(=O)C[C@H](C)C2CC2)CC1)c1ccccc1 58357237 IEMLVULFBLKGTP-OXJNMPFZSA-N 356.510 3.724 0 40 FHAB CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NC3CCCCCC3)ccc12 12766034 ZNBKLYGHMXXDRL-CQSZACIVSA-N 357.450 3.962 0 40 FHAB O=C(Nc1cccc(NC(=O)c2ccccc2-n2cccn2)c1)c1ccco1 48253358 KTAROKTXGKARME-UHFFFAOYSA-N 372.384 3.970 0 40 FHAB Cc1cc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)c(C)n1C1CC1 16694579 KLJNRGUMRAHSKV-CYBMUJFWSA-N 352.434 3.574 0 40 FHAB Cc1ncsc1C(=O)NCc1ccc(CN2C[C@@H](C)C[C@@H](C)C2)cc1 48310260 LBVNQKNSTYXOGM-GASCZTMLSA-N 357.523 3.859 0 40 FHAB O=C1O[C@@H](C(=O)OCc2cnc(-c3ccccc3)s2)Cc2ccccc21 3441212 VGWRZDOCHRIPIL-QGZVFWFLSA-N 365.410 3.635 0 40 FHAB CCCCNc1nc(-c2ccc(N(CC)S(C)(=O)=O)cc2)cs1 8209103 LYIXZGKXGZYLQP-UHFFFAOYSA-N 353.513 3.808 0 40 FHAB Cc1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)cc1 5072320 AQZDWKWVMLBMGV-UHFFFAOYSA-N 373.503 3.651 0 40 FHAB O=C(Cn1cc(-c2ccc(Cl)cc2)[n+]2c1CCC2)Nc1ccccc1F 13759369 YEEAAEBHZNAYLU-UHFFFAOYSA-O 370.835 3.820 0 40 FHAB Cc1cc(CSc2ncccc2C(=O)Nc2ccc3c(c2)OCO3)no1 8313181 LABXPZDNEKCCAX-UHFFFAOYSA-N 369.402 3.651 0 40 FHAB CN(Cc1cccc(Cl)c1)C(=O)COc1ccc(N2CCCC2=O)cc1 18009119 GEJRLEUVBHQECJ-UHFFFAOYSA-N 372.852 3.504 0 40 FHAB Cn1cc(-c2cc(-c3cnn(C)c3)n(Cc3ccc(F)cc3Cl)n2)cn1 13960898 WRUYCVYLYBJDJK-UHFFFAOYSA-N 370.819 3.525 0 40 FHAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1ccc(OC)cc1 408732096 RYJZWOHDIJAPTK-IBGZPJMESA-N 366.417 3.803 0 40 FHAB CCn1c(SCC(=O)Nc2ccccc2C(C)=O)nc2ccccc21 4484471 CYAKKTNHFLUWHS-UHFFFAOYSA-N 353.447 3.990 0 40 FHAB Cc1ccc(S(=O)(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1 14099665 OPCFSXOPIMTQJB-UHFFFAOYSA-N 373.396 3.552 0 40 FHAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@H]1Cc2ccc(C)cc2S1 14046233 WAAIITXFLGWXQN-LJQANCHMSA-N 368.502 3.671 0 40 FHAB c1ccc(-c2ccc3c([C@@H]4CN(Cc5ccoc5)CCO4)nnn3c2)cc1 306133386 MKBJMEQWKJTVKH-FQEVSTJZSA-N 360.417 3.563 0 40 FHAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1CCSc1ccc(Cl)cc1 7081268 GOOFZWNPKWZVHS-LJQANCHMSA-N 372.877 3.826 0 40 FHAB CCCN1C=NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc21 15867503 UDNGTAPVAXYHPX-UHFFFAOYSA-N 371.462 3.503 0 40 FHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(C)o3)n2)cc1 8750280 IIFYXNVEFDLNEP-UHFFFAOYSA-N 355.419 3.600 0 40 FHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(C)cc3)n2)o1 8776405 WATMQLJVQNPEAU-UHFFFAOYSA-N 355.419 3.600 0 40 FHAB CN(Cc1ccc2c(c1)OCO2)Cc1cc(=O)oc2cc3c(cc12)CCC3 19541993 VCZCJGNVTGGIAH-UHFFFAOYSA-N 363.413 3.642 0 40 FHAB CCOC(=O)N[C@H](CC(=O)Nc1nc2c(s1)CCCC2)c1ccccc1 408977973 GLACKRCVLSLVLU-OAHLLOKOSA-N 373.478 3.838 0 40 FHAB CSc1nc(C(=O)N(C[C@H]2CCOC2)c2ccccc2)c2ccccn12 83993093 ONWNXBURQCFOML-OAHLLOKOSA-N 367.474 3.740 0 40 FHAB O=C(/N=c1/[nH]c2ccc(Cl)cc2s1)c1cc(=O)c2ccccc2o1 9357366 QEZVWRGEUTVGMG-UHFFFAOYSA-N 356.790 3.730 0 40 FHAB CC(=O)c1ccc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c(F)c1 9322648 UEUUCHXDPPPXPC-UHFFFAOYSA-N 359.376 3.522 0 40 FHAB CC(C)[C@H](NC(=O)CCc1ccc2c(c1)CCO2)c1nc2ccccc2[nH]1 96232497 SYCGPLBUYFMALH-NRFANRHFSA-N 363.461 3.944 0 40 FHAB C[C@@H]1CCCC[C@H]1NC1=NN=C(c2ccc3c(c2)OCCCO3)CS1 9417574 HFZOMEGIDCWBPE-UKRRQHHQSA-N 359.495 3.823 0 40 FHAB C[C@@H](OC(=O)c1ccoc1)C(=O)Nc1ncc(C(F)(F)F)cc1Cl 9513380 NAJSRDLYIYJPHX-SSDOTTSWSA-N 362.691 3.531 0 40 FHAB CCc1c(C(=O)Nc2cccc(OC(F)F)c2)cnn1-c1ccccn1 19911008 QNGWQYDSMLLQME-UHFFFAOYSA-N 358.348 3.683 0 40 FHAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1 64982527 JKDWTJCOAODIHG-KRWDZBQOSA-N 354.450 3.546 0 40 FHAB Cc1nc2ccc(NC(=O)C(=O)N3CCC[C@H]3c3cccc(F)c3)cc2o1 84290294 CFANLYHWQIDGIE-KRWDZBQOSA-N 367.380 3.578 0 40 FHAB O=C(Nc1nc2c(s1)CCCCCC2)[C@@H]1CC(c2ccccc2)=NO1 95369454 NLLDYBPPLQSODI-INIZCTEOSA-N 355.463 3.934 0 40 FHAB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)Nc1ccc2c(c1)OCCO2 95373557 JRIUCNIGJBMXIA-OAHLLOKOSA-N 370.453 3.608 0 40 FHAB CN(C)c1nc2ccc(NC(=O)c3csc(-c4ccoc4)n3)cc2o1 79095082 PSAKRLDWMIHBRI-UHFFFAOYSA-N 354.391 3.863 0 40 FHAB C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(OCC(F)(F)F)cc1 22417889 DZLYTWYDFTZEGC-LBPRGKRZSA-N 371.330 3.851 0 40 FHAB CC(C)(C)OC(=O)NC1CCN(c2ccc(-c3ccccc3F)nn2)CC1 98211201 LECNDCQZSMUVOC-UHFFFAOYSA-N 372.444 3.776 0 40 FHAB COC(=O)/C=C/c1ccc(OCCOc2cccc(Cl)c2)c(OC)c1 22757735 AUIHZPOUCNIFMN-VQHVLOKHSA-N 362.809 3.993 0 40 FHAB Cc1ccnc(Oc2cc(NC(=O)NCCCn3cccn3)ccc2C)c1 174033637 IXJGTCIABBIYFZ-UHFFFAOYSA-N 365.437 3.899 0 40 FHAB CC1(C)CC(=O)c2sc(NC(=O)c3ccc(CN4CCCC4)o3)nc2C1 35315654 IFCGGYMRZNYOEE-UHFFFAOYSA-N 373.478 3.739 0 40 FHAB O=C(CCOc1cccc(F)c1)Nc1ccc(F)c(NC(=O)C2CC2)c1 32613088 YKTYBVSIMBOEQO-UHFFFAOYSA-N 360.360 3.721 0 40 FHAB C[C@H]1c2cccn2CCN1S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 515208277 DHIUCHIFDYIGCW-HNNXBMFYSA-N 364.470 3.825 0 40 FHAB Cc1nn(-c2ccc(C(=O)O)cc2)c2c1[C@@H](C(F)(F)F)SCC(O)=N2 79486028 SWDQHYQWWBWGAF-LBPRGKRZSA-N 371.340 3.817 0 40 FHAB COc1cc2ccccc2cc1C(=O)NCc1nc(-c2ccccc2)no1 219395114 MJRYBDURBMJRHR-UHFFFAOYSA-N 359.385 3.828 0 40 FHAB Cc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3cccc(C)c3C)n2)cc1 219311265 XHJUFSLDDQVTKR-INIZCTEOSA-N 365.433 3.746 0 40 FHAB CN(CC(=O)NCc1ccc(Cl)cc1)c1nc2c(F)cccc2s1 70973555 SUIMEHKYWANQQP-UHFFFAOYSA-N 363.845 3.841 0 40 FHAB O=C(COC(=O)c1cc(Cl)ccc1Cl)NCc1ccc(F)cc1F 72333914 OXWAWTOOZVHNPN-UHFFFAOYSA-N 374.170 3.745 0 40 FHAB CCn1c(-c2ccccc2)nnc1S(=O)(=O)[C@H](C)c1ccccc1F 79950861 JNNHNPGHXMIBDB-CYBMUJFWSA-N 359.426 3.639 0 40 FHAB CC(C)n1ccc(CNC(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)n1 562727281 XLJBKUUYPKJSOR-IBGZPJMESA-N 368.481 3.527 0 40 FHAB O=C(NC1CC1)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 40069521 UWVFJUCHACMGOF-UHFFFAOYSA-N 360.339 3.574 0 40 FHAB CCCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1 222763888 AHVZWGUWEFQXCD-LJQANCHMSA-N 366.505 3.953 0 40 FHAB CCOC(=O)c1cccnc1SCC(=O)N[C@H](CC)c1ccc(C)cc1 40141241 MZTWXOHQASFKLM-QGZVFWFLSA-N 372.490 3.926 0 40 FHAB COc1ccc(CCNC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)cc1 222601515 IHVJYAPWVRVAQL-UHFFFAOYSA-N 367.836 3.778 0 40 FHAB CCc1cccc(CC)c1NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1 222474730 MBPJDFRKRLMCQR-UHFFFAOYSA-N 374.506 3.768 0 40 FHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1Cc1ccco1 222729816 SDLGGBVEXLMYLE-OALUTQOASA-N 366.490 3.744 0 40 FHAB COc1cc(OC)cc(C(=O)N2CCc3cc(Br)ccc32)c1 222931356 AOJJZPROACQDAF-UHFFFAOYSA-N 362.223 3.669 0 40 FHAB COC(=O)C12C[C@@H]3C[C@@H](CC(NC(=O)c4nc5ccccc5s4)(C3)C1)C2 44226276 XWPHQRBHFWMQMI-BRRVFRNMSA-N 370.474 3.538 0 40 FHAB CCOC(=O)c1ccc(Nc2cc(N)nc(-c3ccc(F)cc3)n2)cc1 49467977 KJRWZNMVYCWZSA-UHFFFAOYSA-N 352.369 3.785 0 40 FHAB O=C(NCCc1cnc(-c2ccccc2)nc1)c1c(F)cccc1Cl 225591851 RFDJLLYFMNHGKJ-UHFFFAOYSA-N 355.800 3.909 0 40 FHAB CCOC(=O)c1nc(N2CCC=C(c3ccncc3)C2)cc(C(C)(C)C)n1 576259426 ICIFZNBSLMDXRZ-UHFFFAOYSA-N 366.465 3.640 0 40 FHAB Cc1ccc2[nH]c(C)c(-c3nnc(SCC(=O)N4CCCC4)o3)c2c1 94992684 RAMOPXXGSKKXPX-UHFFFAOYSA-N 356.451 3.549 0 40 FHAB CN(C)C(=O)C[C@@H]1CC2(CCN(Cc3nccs3)CC2)c2ccccc21 96079469 VSPBOGVYHJWTCY-MRXNPFEDSA-N 369.534 3.643 0 40 FHAB O=C(c1ccno1)N1Cc2cc(Nc3cccnc3)ccc2[C@@H]1c1cnco1 96086998 JYTMNBZISZKKMO-LJQANCHMSA-N 373.372 3.547 0 40 FHAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)NCCCc2ccccc2)CC1=O 240627553 ADNIUHARMVORCB-KRWDZBQOSA-N 370.880 3.750 0 40 FHAB CCn1cc(C(=O)N2CCC[C@H](c3nc(C)cn3C)C2)c2ccccc21 257327133 XACACVPIAQSFFI-INIZCTEOSA-N 350.466 3.723 0 40 FHAB C[C@]12C[C@@H](c3ccccc3F)N(Cc3ccccn3)[C@H]1CCCC(=O)N2 257306977 SWTRVWXDYYZUPD-ZJOUEHCJSA-N 353.441 3.595 0 40 FHAB CCOC(=O)c1nn(-c2ccccc2)cc1OCc1ccc(F)c(F)c1 603915500 WJHLKCZQTRQAMN-UHFFFAOYSA-N 358.344 3.906 0 40 FHAB CC(=O)Nc1nc(C(=O)Nc2ccc(C)cc2OCC(F)(F)F)cs1 56313772 UXXDQJATRXIRIJ-UHFFFAOYSA-N 373.356 3.603 0 40 FHAB O=C(CSc1ccncc1)N1CCC(c2ccc3cccnc3n2)CC1 655265415 SRJRDWTVMUZWBE-UHFFFAOYSA-N 364.474 3.523 0 40 FHAB O=S(=O)(NCc1ccc(OC(F)F)cc1)c1ccc2c(c1)CCCC2 12764638 BDTQTLDXDHGXFA-UHFFFAOYSA-N 367.417 3.645 0 40 FHAB COc1ccccc1CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl 14313466 QWEFIQDPECLVCU-UHFFFAOYSA-N 360.262 3.823 0 40 FHAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NCCc1ccccc1 14731702 PBMXKBQPCCGQMV-UHFFFAOYSA-N 356.372 3.911 0 40 FHAB Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2nnc(C(C)C)s2)cc1 15935697 BHMOJJUNMRZCGZ-AWEZNQCLSA-N 373.482 3.605 0 40 FHAB COc1cccc(Nc2ncccc2C(=O)Nc2n[nH]c3nc(C)ccc23)c1 19717049 WUWUYJYBCISIMD-UHFFFAOYSA-N 374.404 3.666 0 40 FHAB CC[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc(-c2cnn(CC)c2)on1 19719259 IQUJVGUDRHGKKQ-QGZVFWFLSA-N 356.401 3.920 0 40 FHAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1 19886459 ZQRXTVGSVGIFLU-UHFFFAOYSA-N 352.843 3.662 0 40 FHAB O=C(C1CCCC1)N1CC[C@@H](c2cc(COc3cccc(F)c3)[nH]n2)C1 19704511 UUURLKNAONYWNC-OAHLLOKOSA-N 357.429 3.634 0 40 FHAB O=C(N[C@@H]1CN2CCC1CC2)c1cc(Cl)cc2c1O[C@@H]1CCCC[C@H]21 6091310 LDYMIBZOCSHLBG-ZTFGCOKTSA-N 360.885 3.583 0 40 FHAB COc1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cn1 7136503 ADIFPTOZAMCKKC-UHFFFAOYSA-N 353.403 3.656 0 40 FHAB Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(N2CCCCCC2)cc1 10889430 ZAJKLVATBYTDDK-UHFFFAOYSA-N 354.498 3.989 0 40 FHAB COc1cc(OC)c(NC(=O)Cc2sc(=S)[nH]c2C)cc1Cl 11604349 KFBAHRSNRMEQCJ-UHFFFAOYSA-N 358.872 3.966 0 40 FHAB O=c1c2ccccc2c(-c2cccs2)nn1C[C@H](O)c1ccccc1F 28914826 NYUCMLSEUYHTSO-KRWDZBQOSA-N 366.417 3.998 0 40 FHAB O=C(Cc1csc(SCC(=O)c2cccs2)n1)NC1CCCC1 11027455 IDYSTGFOWVSMHB-UHFFFAOYSA-N 366.533 3.781 0 40 FHAB CN(C)[C@H](CNC(=O)c1ccccc1Cl)c1cn(C)c2ccccc12 23239737 NBJFNXZWHWQWMX-LJQANCHMSA-N 355.869 3.864 0 40 FHAB Cc1ccccc1C(=O)Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1 35597365 KKDLAWVLRZVYFY-UHFFFAOYSA-N 370.416 3.967 0 40 FHAB O=C(NCc1cncc(-c2cccs2)c1)c1cccc(-n2cccn2)c1 225667446 WDHCBJQVTKLXJK-UHFFFAOYSA-N 360.442 3.926 0 40 FHAB CCCc1nnc(SCCCOc2ccc(C=O)cc2OC)n1CC 8731763 VELYTYHGKXKRGU-UHFFFAOYSA-N 363.483 3.633 0 40 FHAB O=C(Nc1ccc(SC2CCCC2)cc1)c1ccnc(-n2cncn2)c1 40156367 AVNGHLQARVCHAX-UHFFFAOYSA-N 365.462 3.949 0 40 FHAB CN(C(=O)NC[C@H]1COc2ccccc2O1)[C@@H]1CCCc2ccccc21 30988427 YVXOURQHEHZUAF-FUHWJXTLSA-N 352.434 3.545 0 40 FHAB CCCCCn1c(=O)c(C(=O)Nc2ccc(C)cn2)c(O)c2ccccc21 100504433 LAPPBHSKRFTXFH-UHFFFAOYSA-N 365.433 3.853 0 40 FHAB COc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)n2C)cc1 869063 QMCUEPKMXSQOAE-UHFFFAOYSA-N 368.462 3.530 0 40 FHAB C[C@H]1C[C@@H](C)CN(C(=O)C2=Cc3cc(Br)ccc3OC2)C1 29515935 NVBOFHBDWKZEGE-TXEJJXNPSA-N 350.256 3.729 0 40 FHAB CCOc1ccc(CC(=O)OCC(=O)Nc2ccc(Cl)cc2C)cc1 7813478 WRUMLSDSEGALLM-UHFFFAOYSA-N 361.825 3.772 0 40 FHAB CC(C)(C)C(=O)NC1CCN(C(=S)Nc2cccc(Cl)c2)CC1 4888662 RTGLYVXALFAZOS-UHFFFAOYSA-N 353.919 3.664 0 40 FHAB Cc1ccc(C)c(SCC(=O)OCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)c1 4925561 FSPFEXCXFMQEGV-XIRDDKMYSA-N 363.523 3.880 0 40 FHAB C[C@H]1OC2(C[C@@H](OCc3ccccc3)[C@H]1OCc1ccccc1)OCCO2 6004879 CYNNHJZSXYWLJA-UIFIKXQLSA-N 370.445 3.667 0 40 FHAB CCCN1C(=O)S/C(=C\c2cc3c(cc2Br)OCO3)C1=O 6654724 OSGAXDKYQVWRNS-XGICHPGQSA-N 370.224 3.624 0 40 FHAB Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccco2)C1 8297439 LOVPNVVXEDENHO-DLBZAZTESA-N 374.440 3.676 0 40 FHAB biogenic,in-vitro CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CCNC(=O)/C=C/c1ccco1 32817803 XWSUFJIZWQPHMA-VAWYXSNFSA-N 368.477 3.755 0 40 FHAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)CCCOc1ccc(C(C)(C)C)cc1 58061067 RHXKNTGBATXXFN-HOTGVXAUSA-N 362.514 3.563 0 40 FHAB CCc1ccc(-n2ccc(=O)c(C(=O)Nc3cccc(Cl)c3)n2)cc1 11914140 OKAMIUPRAQAEDF-UHFFFAOYSA-N 353.809 3.701 0 40 FHAB CCC[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2ON1c1ccccc1 102722875 LTTLSGHQIKASEQ-KZNAEPCWSA-N 370.836 3.819 0 40 FHAB COC(=O)c1cc(NS(=O)(=O)Cc2ccc(Cl)cc2)ccc1Cl 9694995 PDYCEIRXVFXVNO-UHFFFAOYSA-N 374.245 3.722 0 40 FHAB COc1ccccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1 9836464 WPNQXZJBGDILDG-NSHDSACASA-N 350.212 3.864 0 40 FHAB CCCCc1ccc(C(=O)N(C)CC(=O)Nc2ccc(OC)cc2)cc1 7962460 YKSMDZUNLBFMMP-UHFFFAOYSA-N 354.450 3.749 0 40 FHAB Cc1csc(=O)n1CCCC(=O)N1CC[C@@H](C)Sc2ccccc21 22257452 SFBSKUCEOSPJCB-CQSZACIVSA-N 362.520 3.916 0 40 FHAB CCc1ccc(-c2n[nH]c(SCC(=O)N(C)c3ccccc3)n2)cc1 33596312 UVXMGAYHLFLEKW-UHFFFAOYSA-N 352.463 3.789 0 40 FHAB CCCNC(=O)c1ccc(Cl)cc1NCC(=O)Nc1ccc(C)cc1 71983549 QIKBVSSXXJJEDT-UHFFFAOYSA-N 359.857 3.839 0 40 FHAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)N1CCc2sccc2C1 22597884 JKYSXSNKRKSTCJ-UHFFFAOYSA-N 363.866 3.690 0 40 FHAB C[C@H]1CCc2c(sc3ncn4nc(-c5ccn(C(F)F)n5)nc4c23)C1 2797662 XZILHHYJDKMRCM-QMMMGPOBSA-N 360.393 3.722 0 40 FHAB CC[C@H](C(=O)N(C)Cc1ccc(OC)c(OC)c1OC)c1ccccc1 22688894 HEUDJIQLRVSPHL-KRWDZBQOSA-N 357.450 3.865 0 40 FHAB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(OC)cc2)cc1 882087 ZLJCBUDPOPLMKS-UHFFFAOYSA-N 357.479 3.668 0 40 FHAB Cc1cc(NC(=O)[C@@H](OC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c2ccccc2)no1 104895609 FSOVNEHKANYUER-MBGYTDRXSA-N 354.406 3.642 0 40 FHAB Cn1ccnc1COc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 42708463 QJBKJVMPJMMBRV-UHFFFAOYSA-N 360.417 3.662 0 40 FHAB COC(=O)c1ccccc1-c1ccc([C@H]2NC(=O)c3ccccc3N2C)o1 24098538 RHFAZNHRNLTYFI-IBGZPJMESA-N 362.385 3.612 0 40 FHAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)NCC1CC1 25088484 SVYGWWCGSWYJDD-UHFFFAOYSA-N 360.889 3.753 0 40 FHAB Cc1cc(CN(C)C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)no1 25137346 UDXYJSKDDQJSCM-UHFFFAOYSA-N 370.430 3.755 0 40 FHAB CCn1s/c(=N\C(=O)NCc2ccccc2)n(-c2ccccc2)c1=S 100369999 PHGDVPKRZWLSBL-JZJYNLBNSA-N 370.503 3.900 0 40 FHAB Cc1cc2ccccc2n1CC(=O)Nc1cc(N2CCCC2=O)ccc1F 55810099 RPJKQFUIOYOPSI-UHFFFAOYSA-N 365.408 3.854 0 40 FHAB CC(=O)Nc1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 25327596 RYSXMLOOYGJOAR-CYBMUJFWSA-N 360.841 3.691 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)NC[C@H](c3ccsc3)N(C)C)cc2)n1 25329814 AZXMZWTVZZVGGI-LJQANCHMSA-N 368.506 3.583 0 40 FHAB COc1cc(C2=N/C(=C/c3cccc(Cl)c3)C(=O)O2)cc(OC)c1OC 1515870 QTENHJKLNSMXNM-RIYZIHGNSA-N 373.792 3.710 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 25551012 ICJNQGGURNERFD-UHFFFAOYSA-N 361.445 3.642 0 40 FHAB C[C@@H](C(=O)NC1CCCCC1)N1CCC(CCc2ccc(O)cc2)CC1 26114169 NMYSKEHYZXNNRD-KRWDZBQOSA-N 358.526 3.874 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCN(c2ccccc2O)CC1 35354898 VUOUHXNGQXGUIZ-MRXNPFEDSA-N 363.461 3.575 0 40 FHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccc(C)cc1 28189182 RGJSJVROCZNEQV-UHFFFAOYSA-N 357.435 3.534 0 40 FHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1-n1ccnc1 20493968 GHPCGAVZSNCNMC-LJQANCHMSA-N 369.852 4.000 0 40 FHAB O=C(CCc1nc2ccccc2[nH]1)N[C@@H]1CCSc2c(F)cccc21 12525077 HQYWCPVEZVLULN-CQSZACIVSA-N 355.438 3.988 0 40 FHAB COc1ccc(-c2nnc([C@H](C)Sc3nnc4n3CCCCC4)o2)cc1 10021667 ZQCROEKAHHZKEY-LBPRGKRZSA-N 371.466 3.916 0 40 FHAB COc1cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)ccc1OC(F)F 3291638 TWQMCCQOYFVOAK-NTEUORMPSA-N 359.328 3.950 0 40 FHAB COc1ccc(CCC(=O)Nc2ccc3[nH]c([C@H]4CCCO4)nc3c2)cc1 44916498 VSEMFRHIILQDCP-LJQANCHMSA-N 365.433 3.994 0 40 FHAB Cc1ccc(NC(=O)C[C@@H]2SC(=O)N(Cc3ccccc3)C2=O)c(C)c1 10386446 JFSZHAXOUBNKPI-KRWDZBQOSA-N 368.458 3.896 0 40 FHAB COc1cc(OC)cc(-c2nn3c(-c4cccc(OC)c4)nnc3s2)c1 10311664 AHGNHKQUIQKJIG-UHFFFAOYSA-N 368.418 3.546 0 40 FHAB CC(C)N(C(=O)COC(=O)c1ccc(Br)o1)c1ccccc1 3263476 MSYMTBJBMJAOIP-UHFFFAOYSA-N 366.211 3.641 0 40 FHAB CCN(C(=O)Cc1csc(-c2ncccn2)n1)[C@H](C)c1ccc(F)cc1 58406255 RNCBZXGSJIAQOZ-CYBMUJFWSA-N 370.453 3.891 0 40 FHAB CCN(C(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1)C1CCCCC1 25250884 PHZYWYSVRCJLDZ-UHFFFAOYSA-N 366.527 3.510 0 40 FHAB Cc1nc(CCNC(=O)c2ccccc2NC(=O)c2cccs2)cs1 12769230 SOXKGISWCGHIAZ-UHFFFAOYSA-N 371.487 3.738 0 40 FHAB CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(-n2cncn2)cc1 12858084 HCRCSTMZCYIPFU-UHFFFAOYSA-N 361.232 3.846 0 40 FHAB CCc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 3557683 GGTBMDUKJAPOPO-UHFFFAOYSA-N 360.479 3.532 0 40 FHAB CCCOc1ccc(OCCSc2nc3ccccc3n2CCO)cc1 3902607 UMUJBPDKNVZJPK-UHFFFAOYSA-N 372.490 3.989 0 40 FHAB Cc1cccc(OCCNC(=O)CSc2ccc3ccccc3n2)c1 8447859 AOUZJUNKZRAAIT-UHFFFAOYSA-N 352.459 3.831 0 40 FHAB Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1-c1ccccc1 5066457 ILCNLXQOWKMIDZ-UHFFFAOYSA-N 371.444 3.828 0 40 FHAB CCC(=O)NCCc1nc2ccccc2n1CCCCOc1ccccc1 5235873 TVDWGBZKABYHNM-UHFFFAOYSA-N 365.477 3.964 0 40 FHAB Cc1cccc(-n2c(C)nnc2SCC(=O)N(C)c2ccccc2)c1 5359593 RBRFDXFBBYAFNM-UHFFFAOYSA-N 352.463 3.639 0 40 FHAB COc1ccc(NC(=O)c2cn(CCC(C)C)c(=O)c3ccccc23)cn1 70666434 VTHIACPCYBRMFW-UHFFFAOYSA-N 365.433 3.704 0 40 FHAB biogenic Cc1cc(C(=O)N(C)CCOc2ccccc2C)c2cnn(C(C)C)c2n1 8727813 RHCUFECBGMSIFR-UHFFFAOYSA-N 366.465 3.780 0 40 FHAB Cc1c(Cl)c(C)c(Br)c(OCC(=O)O)c1Br 4682323 NGPHEXOBZOOVNC-UHFFFAOYSA-N 372.440 3.945 0 40 FHAB CC(C)C(=O)n1nc(-c2cccnc2)nc1NCc1cccc(Cl)c1 4732425 ZYCFKLIHRLMCPH-UHFFFAOYSA-N 355.829 3.902 0 40 FHAB O=C([C@H]1CCCN(Cc2ccc(Br)cc2)C1)N1CCCCC1 4746163 QAWVNVBIWZKJJF-INIZCTEOSA-N 365.315 3.674 0 40 FHAB O=S(=O)(c1ccc(SCc2cccc(Cl)c2)nc1)N1CCCC1 5703861 IKTIUZJGTQWNQN-UHFFFAOYSA-N 368.911 3.812 0 40 FHAB CC[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(F)cc2)n1C 6913885 SDFFYMQNWOHBTG-OAHLLOKOSA-N 362.474 3.504 0 40 FHAB CC(=O)c1ccc(OCCCC(=O)NCCSCc2ccco2)cc1 6905878 JTZCDHQBJZURRY-UHFFFAOYSA-N 361.463 3.691 0 40 FHAB COCCn1c(SCc2cc(F)cc(F)c2)nc2ccccc2c1=O 67258481 NINUSALBACGXGY-UHFFFAOYSA-N 362.401 3.613 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2C(=O)Nc2ccccc2)no1 9691561 BIFOYWZBHKDURY-CQSZACIVSA-N 365.389 3.641 0 40 FHAB CCOc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccncc3)o2)cc1 9722480 BXDAPDYJCYCFFK-GFCCVEGCSA-N 355.419 3.894 0 40 FHAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1c[nH]nc1-c1ccccc1 89954556 XCMOWAFMMINYNY-HXUWFJFHSA-N 374.444 3.551 0 40 FHAB Cc1ccc(OCCCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 23134133 OMLVNAZAEVACEP-UHFFFAOYSA-N 367.493 3.545 0 40 FHAB CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc2sncc2c1 97102592 OJFUVFMKSWXJJS-UHFFFAOYSA-N 360.460 3.732 0 40 FHAB CCCCO[C@H]1C[C@H](N(C)C(=O)c2cncc(Br)c2)C1(C)C 72310286 DJYQAHVTKOTCFM-GJZGRUSLSA-N 369.303 3.900 0 40 FHAB Cc1nnsc1-c1nnc2sc(-c3cc(Cl)cc(Cl)c3)nn12 72405071 VIGLWVMPLTXMMI-UHFFFAOYSA-N 369.262 3.987 0 40 FHAB Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccccc1CN(C)C 9917463 YIMUMYHVEPUNOC-UHFFFAOYSA-N 366.490 3.505 0 40 FHAB CCOc1ccc(NC(=O)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 22540724 WJBBEFRGTNWJMM-MRXNPFEDSA-N 354.450 3.826 0 40 FHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C)o3)C2=O)c(C)c1 409176680 UTWOKJSTZGKSMY-CXUHLZMHSA-N 370.430 3.880 0 40 FHAB Cc1ccsc1CN(C)c1cnn(Cc2ccccc2)c(=O)c1Cl 60551733 VIPJTPDYGAVQLX-UHFFFAOYSA-N 359.882 3.951 0 40 FHAB Cc1ccc(C)c(CS(=O)(=O)[C@H](C)C(=O)Nc2ccc(Cl)cc2)c1 32929584 MJZLJQJCWODZJM-CQSZACIVSA-N 365.882 3.899 0 40 FHAB CCc1noc(-c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)n1 33012621 VYLOTGXPGNVXTN-UHFFFAOYSA-N 351.406 3.933 0 40 FHAB Nc1ccc(C(=O)OCCCCCCCOC(=O)c2ccc(N)cc2)cc1 35586033 KDBONWNTCLBAND-UHFFFAOYSA-N 370.449 3.815 0 40 FHAB COc1ccc(CCc2nc(CC(=O)Nc3ccc(C)c(C)c3)no2)cc1 35316300 CJNWQBUSXYMKDN-UHFFFAOYSA-N 365.433 3.661 0 40 FHAB O=C(O)[C@@H]1CC(=O)N(c2ccc3nc(-c4ccccc4Cl)oc3c2)C1 70461333 UZEOUNHXOCUMEN-SNVBAGLBSA-N 356.765 3.586 0 40 FHAB O=C(CCCn1sc2ccccc2c1=O)Nc1ccc2cc[nH]c2c1 36359131 KQHJDOKRIFWWCA-UHFFFAOYSA-N 351.431 3.963 0 40 FHAB Nc1ncc(-c2ccccc2)c([C@H]2CCCCN2C(=O)C2CCCC2)n1 72377054 UTOJRLXLFVTPFA-GOSISDBHSA-N 350.466 3.970 0 40 FHAB O=C(c1nn(-c2ccccc2F)cc1O)N1CCC=C(c2ccccc2)C1 560834886 WUBVTSAMHLLWFB-UHFFFAOYSA-N 363.392 3.647 0 40 FHAB CCN(CC1CC1)C(=O)N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 563083100 QCXNKKNFPBYLSQ-OAHLLOKOSA-N 374.435 3.585 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccccc1Cl 224447612 UDBLGTDOUOPVOR-INIZCTEOSA-N 351.805 3.832 0 40 FHAB COc1ccccc1OC[C@H](C)NC(=S)Nc1c(F)cccc1F 225786893 HPXDDSQZDDXQTA-NSHDSACASA-N 352.406 3.727 0 40 FHAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C)c1 225048321 XZTBDSHYIJRSMB-CYBMUJFWSA-N 356.447 3.623 0 40 FHAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 222823202 ZMAUILMZEFYHJZ-RBUKOAKNSA-N 366.490 3.905 0 40 FHAB O=C(COc1ccc(F)cc1)NCc1cccc(CN2CCCCC2)c1 224696285 XVYVCJGLEALFAJ-UHFFFAOYSA-N 356.441 3.507 0 40 FHAB C[C@@H](CCCC(C)(C)O)NC(=O)C1CCN(CC2CCCCC2)CC1 199403715 SBKBVLRLCQDSHP-KRWDZBQOSA-N 352.563 3.725 0 40 FHAB COc1ccc(C(=O)Nc2ccc([C@H](C)O)cc2)cc1Br 226273526 UXSOCPHWTYVZRH-JTQLQIEISA-N 350.212 3.763 0 40 FHAB O=C1c2c(oc3ccccc3c2=O)[C@H](c2cccc(O)c2)N1Cc1ccco1 41105006 LQOINHKEHKFACT-IBGZPJMESA-N 373.364 3.837 0 40 FHAB COc1ccc(CNC(=O)c2cnc(-c3ccc(F)cc3)nc2C)cc1 222578425 VPEDTYNXDBJYBX-UHFFFAOYSA-N 351.381 3.530 0 40 FHAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N1CCN(Cc2ccccc2)CC1 222980794 YLVQEUVGGPVPTH-QFIPXVFZSA-N 366.505 3.805 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222711599 UCLLWTQQSXNODY-DYVFJYSZSA-N 359.397 3.632 0 40 FHAB CN(C)C(=O)C[C@H]1CC2(CCN(Cc3ccncc3)CC2)c2ccccc21 96052718 IBNUMYJLPPCZTB-IBGZPJMESA-N 363.505 3.581 0 40 FHAB C[C@H]1CC[C@@](NC(=O)c2cccc3c2ccn3C)(C(=O)O)c2ccccc21 1594324140 YGJFBFFGXCFCOF-FPTDNZKUSA-N 362.429 3.786 0 40 FHAB COC(=O)c1ccccc1NS(=O)(=O)/C=C/c1c(C)cc(C)cc1C 96137166 IJZLELPFIPQYSV-MDZDMXLPSA-N 359.447 3.811 0 40 FHAB CCOC[C@@H]1CC2(CCN(C(=O)c3oc4ccccc4c3C)CC2)CO1 96105932 QSKHTDQNGVSTRC-INIZCTEOSA-N 357.450 3.789 0 40 FHAB O=C(c1cccs1)N1CCC2(CCN(Cc3nccs3)CC2)CC1 96047222 HMOYXMCVYSSZMR-UHFFFAOYSA-N 361.536 3.723 0 40 FHAB COc1ccc(COCCCNC(=O)Nc2ccc(C)c3cn[nH]c23)cc1 605927029 ORFKPYSQTWGUHF-UHFFFAOYSA-N 368.437 3.608 0 40 FHAB Cc1ccc2c(c1)S[C@@H](C(=O)N1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C)C2 1325041799 KQHKVLTXIRLXOS-RVKKMQEKSA-N 374.550 3.506 0 40 FHAB O=C(NCc1ccc(C(=O)c2ccco2)s1)c1ccc2nsnc2c1 96119793 JDXVPXDUFPRVDI-UHFFFAOYSA-N 369.427 3.507 0 40 FHAB C[C@]12C[C@@H](c3ccccc3F)N(C(=O)c3ccccc3)[C@H]1CCCC(=O)N2 585261355 QISNJZRCLAQFHE-IPJJNNNSSA-N 366.436 3.840 0 40 FHAB COc1ccccc1C1(C(=O)NC[C@@H](O)c2csc3ccccc23)CC1 585371784 DJZKUUZGJYBDBQ-QGZVFWFLSA-N 367.470 3.791 0 40 FHAB COc1cccc(CCC(=O)N(CC(F)(F)F)C2CCCC2)c1OC 75094321 GEZYXCZCMJKXSS-UHFFFAOYSA-N 359.388 3.970 0 40 FHAB COc1ccc(O[C@H](C)C(=O)NCCSCc2ccc(C)cc2)cc1 11708496 OUDOIDSNJWGEOJ-MRXNPFEDSA-N 359.491 3.821 0 40 FHAB O[C@H](CN1CC=C(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 12330564 VLKIBWHKOJQQJN-HXUWFJFHSA-N 369.436 3.810 0 40 FHAB CC(C)(C)C(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1 16807821 GVONCRPAYDHWIL-UHFFFAOYSA-N 356.451 3.689 0 40 FHAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)n1 19572770 IMEBNOZIACDLQJ-ROUUACIJSA-N 373.472 3.908 0 40 FHAB COC(=O)c1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)ccc1Cl 156741966 OSYLZBHWZWBPNP-UHFFFAOYSA-N 367.854 3.853 0 40 FHAB C[C@H](Sc1ccc(F)cc1F)C(=O)c1ccc(NS(C)(=O)=O)cc1 6937913 NSGAXJGLEJBNAX-JTQLQIEISA-N 371.430 3.700 0 40 FHAB COc1ccc(CN(CCS(=O)(=O)c2cc(C)ccc2C)C2CC2)cc1 15309557 QEIZNCAPEQBWSM-UHFFFAOYSA-N 373.518 3.750 0 40 FHAB COc1ccc2nc(N3CCC[C@H](N(C)C(=O)C(C)(C)C)C3)ccc2c1 2087144456 PQLXUKDSWCBPIW-INIZCTEOSA-N 355.482 3.717 0 40 FHAB Cc1ccc(CN2C(=O)C[C@H]3[C@@H]2CCN3Cc2cccc(F)c2F)cc1 1565553382 WQGYAJGOXOUCQF-OALUTQOASA-N 356.416 3.649 0 40 FHAB NCCN1C(=O)S/C(=C/c2ccc(F)c(Oc3ccccc3)c2)C1=O 3620452 UWFKEKMWTADQDQ-LFIBNONCSA-N 358.394 3.613 0 40 FHAB Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3c(F)cccc3Cl)cc12 4032907 AMAGLCYRONIKCT-UHFFFAOYSA-N 372.827 3.910 0 40 FHAB CCc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(OC)nn3)cc2)cc1 5204233 GKLFERUQCLUKOO-UHFFFAOYSA-N 369.446 3.515 0 40 FHAB COc1ccc(N2C[C@@H](CNC(=O)Nc3ccccc3Cl)CC2=O)cc1 9039270 AVLHQEJMIZVNNT-CYBMUJFWSA-N 373.840 3.523 0 40 FHAB COc1ccc([C@H]2OC[C@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]23)cc1OC 33833334 AWOGQCSIVCQXBT-MXKXFIQMSA-N 370.401 3.508 0 40 FHAB biogenic,in-man O=C(c1nccc2ccccc12)N1CCC[C@H](Oc2ccncc2Cl)C1 575612215 JKCVUWMPUQYHFY-HNNXBMFYSA-N 367.836 3.967 0 40 FHAB Cn1cc([C@@H]2CN(C(=O)Cc3ccc(Cl)cc3)Cc3ccccc32)cn1 575619099 LXPLOGSUDNIPCL-FQEVSTJZSA-N 365.864 3.790 0 40 FHAB CCOC(=O)Cc1csc(SCC(=O)Nc2ccc(CC)cc2)n1 6653162 MVBWRLBZOVOHFW-UHFFFAOYSA-N 364.492 3.542 0 40 FHAB O=C(/C=C/c1c(F)cccc1F)Nc1ccc(C(=O)N2CCCC2)cc1 40106532 MFOOGONZIFALHN-ZHACJKMWSA-N 356.372 3.853 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2ccc(OCc3nccn3C)cc2)cc1 40134890 JFPSHENLFULFMP-LFYBBSHMSA-N 363.417 3.660 0 40 FHAB CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccc(CCC(=O)O)cc2)cc1 20103057 XVDNJEFVINPEID-UHFFFAOYSA-N 368.433 3.941 0 40 FHAB O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCO[C@@H](c2ccc(F)cc2)C1 31178683 XWHGZMCLMZPSED-GOSISDBHSA-N 369.371 3.569 0 40 FHAB CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2)N2C(=O)CCSC2=N1 2484737 UXFQMMNLMMINKP-KRWDZBQOSA-N 358.463 3.536 0 40 FHAB CCCN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1ccc(Br)cc1)C2 1369959 SCKFSSSZHLIFAQ-IAGOWNOFSA-N 365.315 3.974 0 40 FHAB O=C(Nc1ccccc1C[C@H](O)c1ccc2c(c1)OCO2)c1ccccc1 1716375 FZYRHYTWTVWARG-IBGZPJMESA-N 361.397 3.944 0 40 FHAB CCOC(=O)c1c(NC(=O)c2cc(C(C)C)on2)sc(C(C)=O)c1C 2498036 VBOFMKDMPBOLLI-UHFFFAOYSA-N 364.423 3.800 0 40 FHAB Cc1cccc(-c2nnc(SCC(=O)N[C@@H]3CCCC[C@H]3C)n2C)c1 3400357 LHOYIOQPXPWULR-GDBMZVCRSA-N 358.511 3.578 0 40 FHAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(N4CCCC4)cc3)C2=O)c1 6967242 AWGNCPVRVCEAOB-XSFVSMFZSA-N 361.445 3.688 0 40 FHAB CN(Cc1ccco1)C(=O)COc1ccccc1C(=O)Nc1ccccc1 21238996 SYGIEYDPEHRMKL-UHFFFAOYSA-N 364.401 3.569 0 40 FHAB O=C(N1CCN(c2ccccc2F)CC1)C1(c2ccccc2)CCCC1 2512579 WKNRZYWRUNLEOS-UHFFFAOYSA-N 352.453 3.986 0 40 FHAB Cc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccccc1Cl 8413789 JUGWJEHYHNMURC-UHFFFAOYSA-N 374.824 3.549 0 40 FHAB CCOc1ccc(-c2noc(CCC(=O)N(C)Cc3ccc(C)o3)n2)cc1 32779826 JNKWHYHBJBMGES-UHFFFAOYSA-N 369.421 3.628 0 40 FHAB CC(C)c1nnc(SC[C@@H](O)COc2ccccc2)n1Cc1ccco1 32865343 JJGQOYRZIPMTFF-HNNXBMFYSA-N 373.478 3.575 0 40 FHAB COc1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)c(OC)c1OC 7512792 VOXVJZLOSPUOSA-UHFFFAOYSA-N 369.373 3.724 0 40 FHAB O=S(=O)(NC1(c2ccc(F)cc2)CCCC1)c1ccc(F)cc1F 58155373 UPDFSFPPSBOZIZ-UHFFFAOYSA-N 355.381 3.852 0 40 FHAB COc1ccc(CC(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1 20137287 YNTHAJKNFDWCNM-UHFFFAOYSA-N 354.189 3.881 0 40 FHAB Cc1ccsc1C(=O)OCC(=O)c1cc(C)n(C[C@@H]2CCCO2)c1C 2658571 UODDFWFUXUXYDW-HNNXBMFYSA-N 361.463 3.694 0 40 FHAB C[C@H](NC(=O)COCc1nc2ccccc2s1)c1ccc(F)cc1F 21917362 UUJYWSKEZRPLBF-NSHDSACASA-N 362.401 3.969 0 40 FHAB Cc1nnc2sc(-c3ccccc3NC(=O)c3ccccc3F)nn12 57316129 CLXCLYXZJYWPOK-UHFFFAOYSA-N 353.382 3.553 0 40 FHAB CC(=O)c1ccc(NC(=O)CCN(C)CCOc2ccc(Cl)cc2)cc1 22198882 AEXYXYNFBZVDCU-UHFFFAOYSA-N 374.868 3.882 0 40 FHAB O=C(CCSc1nnc(-c2ccncc2)o1)Nc1ccc(Cl)cc1 645131 ZAYBSMBHEHVNSU-UHFFFAOYSA-N 360.826 3.906 0 40 FHAB O=C(COC(=O)c1cc2ccccc2cc1O)Nc1ccccc1Cl 8520819 COPLXBOTMLFEFU-UHFFFAOYSA-N 355.777 3.994 0 40 FHAB CCc1cccc(C)c1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 23391084 ITTMZKLXEHKFHJ-UHFFFAOYSA-N 358.825 3.575 0 40 FHAB CN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cnc(-c2ccccc2)nc1 54441646 BJGGMNWLHDLRJB-GOSISDBHSA-N 350.809 3.993 0 40 FHAB C[C@H]1CC(=O)c2cn3nc(SCc4ccc(Cl)cc4)nc3nc2C1 20632342 RMSNQRUGBYHFPY-SNVBAGLBSA-N 358.854 3.835 0 40 FHAB CC(C)c1ccc(CS(=O)(=O)[C@@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 105774374 ZYEQUZCPLLGRNJ-ZACQAIPSSA-N 365.539 3.618 0 40 FHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)N[C@H]1CCOc2ccccc21 43165627 ZIQYYOJBMFLFLC-IBGZPJMESA-N 362.433 3.538 0 40 FHAB COCc1c(C(=O)N[C@H]2CCCc3c2cnn3C)sc2cccc(F)c12 24991124 UUBCQKCECDMXQD-AWEZNQCLSA-N 373.453 3.728 0 40 FHAB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)C2CCN(C(=O)c3ccoc3)CC2)o1 47644086 CKKNHFKRDOBCDE-KBXCAEBGSA-N 370.449 3.507 0 40 FHAB COc1cc(/C=C2/NC(=S)N(c3ccc(C(C)C)cc3)C2=O)ccc1O 105556917 NVRNBCHIKXMKHS-MHWRWJLKSA-N 368.458 3.786 0 40 FHAB COCCOc1ccc(NC(=O)c2ccccc2Br)cc1F 55725314 QHTOUIKHONMEKV-UHFFFAOYSA-N 368.202 3.866 0 40 FHAB CCCCCNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C 10367003 KALPIQNSYCQWME-UHFFFAOYSA-N 360.479 3.716 0 40 FHAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c(C)c1 10446199 TUBOCKPXAJBGBS-WEVVVXLNSA-N 353.374 3.552 0 40 FHAB C[C@H]1COCCN1C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 57144088 OHCJWZNZHOSGNO-BLLLJJGKSA-N 367.287 3.721 0 40 FHAB CC[C@H](C)n1c(SCC(=O)Nc2cc(C)no2)nnc1-c1ccccc1 58192956 QLSZZCBRDOIEQM-ZDUSSCGKSA-N 371.466 3.943 0 40 FHAB Cc1ccc(CN(Cc2ccco2)C[C@@H](O)COCc2ccco2)s1 36101072 HDWSYWYAGJPRFF-MRXNPFEDSA-N 361.463 3.822 0 40 FHAB Cn1ccnc1[C@H](NC(=O)c1ccc2ncsc2c1)c1ccc(F)cc1 10656407 DPIKYTHNOCRKEI-QGZVFWFLSA-N 366.421 3.688 0 40 FHAB CCOc1ccc(-c2nnc(SC/C=C/c3ccccc3)n2N)cc1 2384870 JOSZVUVRUUKJCR-RMKNXTFCSA-N 352.463 3.863 0 40 FHAB O=C1[C@H](c2ccccc2)N(C[C@@H]2CCCO2)C(=S)N1c1ccccc1 28405636 FRQJWVJWTDTDNH-ROUUACIJSA-N 352.459 3.540 0 40 FHAB Cn1ccnc1C(=O)c1ccc(NC(=O)Cc2ccc3ccccc3c2)cc1 12604094 FPSPSOPZGIZOIT-UHFFFAOYSA-N 369.424 3.986 0 40 FHAB Cc1ccn2cc(C(=O)Nc3cc4c(cc3Cl)OCCCO4)nc2c1 11005249 PYXTVPMNDHJYAZ-UHFFFAOYSA-N 357.797 3.710 0 40 FHAB Cc1ccsc1C(=O)OCC(=O)Nc1cccc(Br)c1 3313023 ZQPVHCFCVBVEGR-UHFFFAOYSA-N 354.225 3.615 0 40 FHAB Cc1cc(-c2csc(NC(=O)c3ccc4nccnc4c3)n2)c(C)n1C 3350252 QNMADZLYGHSHRU-UHFFFAOYSA-N 363.446 3.961 0 40 FHAB CCCc1c(C(=O)Nc2ccc(C(=O)OCC)cc2)[nH]c(C)c1C(C)=O 48355399 GISYRWMWXIPMSC-UHFFFAOYSA-N 356.422 3.907 0 40 FHAB COc1ccc2c(C)c(CCC(=O)Nc3cc(F)cc(F)c3)c(=O)oc2c1 12973248 DVZFZXGBILLTHQ-UHFFFAOYSA-N 373.355 3.960 0 40 FHAB COc1ccc(CC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c(OC)c1 48660033 DYNNYPOHRSWAJG-FQEVSTJZSA-N 367.449 3.636 0 40 FHAB C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCO2)c1ccc(-n2ccnc2)cc1 7987058 FSQSTLQNCOAUAK-LBPRGKRZSA-N 369.808 3.745 0 40 FHAB O=C(NCC(F)(F)F)NC1(c2cccc(Br)c2)CCC1 49028661 DBWHERPXVQODCR-UHFFFAOYSA-N 351.166 3.690 0 40 FHAB Cc1nc(-c2ccccc2)cc(N2CCN(Cc3ccc(F)cc3)CC2)n1 49597428 ZRJDFVHEXHQPIX-UHFFFAOYSA-N 362.452 3.913 0 40 FHAB COc1ccc(C)cc1[C@H](C)NC(=O)Cc1ccc(N2CCCC2=O)cc1 8130491 FCACLKFUIHUCEZ-INIZCTEOSA-N 366.461 3.550 0 40 FHAB C[C@H](OC[C@H](O)CNCCCN1CCCCCC1)c1ccc(Cl)cc1 6051591 DNXUXQKZKCFGGZ-FXAWDEMLSA-N 368.949 3.634 0 40 FHAB Cc1ccc(CSCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1 5120052 MXKYNTUYXAIBFJ-UHFFFAOYSA-N 354.475 3.992 0 40 FHAB Cc1ccc(S[C@@H](C)C(=O)NCC(=O)Nc2cccc(C)c2C)cc1 14141562 ZEQCLYHUDPJIQJ-INIZCTEOSA-N 356.491 3.847 0 40 FHAB CN(Cc1cnn(-c2ccccc2)c1)Cn1[nH]c(C(C)(C)C)nc1=S 14160768 AJTMRISMWNQXPV-UHFFFAOYSA-N 356.499 3.513 0 40 FHAB CCOc1ccc(/C=C/C(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1 14138485 YODCEBOBRKRZBM-SDNWHVSQSA-N 366.461 3.812 0 40 FHAB COc1ccc(CC(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1OC 14186113 CNFMXWQIZCNWIN-OAHLLOKOSA-N 361.438 3.739 0 40 FHAB CCn1c2ccccc2c2nnc(S[C@@H](C)C(=O)NC3CCCC3)nc21 4509947 AYJDHCUECWPWHK-LBPRGKRZSA-N 369.494 3.539 0 40 FHAB Cc1ccc(N2CCN(CC(=O)Nc3c(C)cccc3C)C[C@H]2C)cc1 14216289 RIXNZRQHRBEHOS-LJQANCHMSA-N 351.494 3.761 0 40 FHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2c(O)cc(F)cc2F)c1 66043627 BAUUFCMUHKVVCJ-OAHLLOKOSA-N 363.360 3.665 0 40 FHAB c1ccc(CN2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)nc1 306123767 AWCTZOZQLCDNJN-IBGZPJMESA-N 370.460 3.566 0 40 FHAB CCOc1ccc(-n2c(CC)nc3c(cnn3-c3ccc(C)cc3)c2=O)cc1 6769206 LXZJXYIKOIZKDJ-UHFFFAOYSA-N 374.444 3.841 0 40 FHAB O=C(NC(=S)Nc1cccnc1Cl)c1ccccc1Br 67240672 RPNAVMVBOOGQDK-UHFFFAOYSA-N 370.659 3.624 0 40 FHAB COC(=O)C1=C(CCl)N(c2ccc(C)cc2)C(=O)N[C@@H]1c1ccccc1 24926875 NZUWVNWDTBAPSU-GOSISDBHSA-N 370.836 3.932 0 40 FHAB CC(=O)NCc1ccc(-c2csc(NC(=O)CCC(C)C)n2)s1 8748149 XKZKPFWLHWVZIA-UHFFFAOYSA-N 351.497 3.882 0 40 FHAB CC(=O)N[C@H](CC(=O)Nc1ccccc1Br)c1ccccc1 9690556 CKNICQNPEYSRLR-MRXNPFEDSA-N 361.239 3.655 0 40 FHAB C[C@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 75358126 RFDQVVJGKVMXDK-ZDUSSCGKSA-N 368.481 3.854 0 40 FHAB O=C(CSc1ncnc2c(-c3ccccc3)c[nH]c12)NC1CCCC1 71328133 AGQWODJKSOFKIC-UHFFFAOYSA-N 352.463 3.776 0 40 FHAB Cc1sc2nc(-c3cccs3)nc(N3CCC(C(N)=O)CC3)c2c1C 9499610 WKAYSOBRBKYGEP-UHFFFAOYSA-N 372.519 3.738 0 40 FHAB O=S(=O)(C[C@H]1CSc2nc3ccccc3n21)c1ccc(Cl)cc1 19829277 PYEPQWRYMJLMDP-GFCCVEGCSA-N 364.879 3.810 0 40 FHAB CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@@H](C)c1nnc(-c2cccs2)o1 89941680 MBGFXOQJLABIOG-RRFJBIMHSA-N 374.510 3.725 0 40 FHAB O=C(OCc1csc(-c2ccco2)n1)[C@@H]1CCCN1c1nccs1 97164498 QMVCKTQAAUVISS-LBPRGKRZSA-N 361.448 3.572 0 40 FHAB CC(C)COc1ccccc1CN1CCN(C(=O)C2CCCCC2)CC1 72313432 AHZFGBIYYOYBHW-UHFFFAOYSA-N 358.526 3.946 0 40 FHAB CCOc1ccc(OCC)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1 72414300 RMDTUNBEUZTGES-UHFFFAOYSA-N 372.446 3.833 0 40 FHAB CC[C@@H](NC(=O)N1CC[C@H](c2ccc(OC)cc2)C1)c1c(C)nn(C)c1C 76200647 SFZLQTZOYRTWQT-PKOBYXMFSA-N 370.497 3.696 0 40 FHAB CCN(CC)c1nc2sc(C(=O)O[C@@H]3CCCCC3=O)cc2s1 84774513 BGIAUAGXKBVFOE-LLVKDONJSA-N 352.481 3.873 0 40 FHAB O=C(Cn1ccc2sccc2c1=O)Nc1ccccc1C(F)(F)F 95458206 QZOVTXPXOLSQFU-UHFFFAOYSA-N 352.337 3.721 0 40 FHAB COc1ccc(-c2nc(C(=O)N3CCC[C@H](CCC(=O)O)C3)cs2)cc1 95992007 QVDYMZPGUJLPTR-CYBMUJFWSA-N 374.462 3.536 0 40 FHAB C[S@@](=O)c1cccc(NC(=O)N[C@H](c2ccccc2)C(F)(F)F)c1 95960203 BZXCJBIBVKMCGH-SHACYNPGSA-N 356.369 3.849 0 40 FHAB COC(=O)c1cccc2nc([C@H]3CCN(Cc4ccccc4C)C3)oc12 35446960 QLYHJIMSFRMHCH-INIZCTEOSA-N 350.418 3.912 0 40 FHAB biogenic,in-vitro CN(Cc1ccc(Cl)cc1)C(=O)NCc1ccn(Cc2ccccc2)n1 517752450 MGVVIWONWXINDX-UHFFFAOYSA-N 368.868 3.926 0 40 FHAB COc1cc2c(cc1/C=C1\C(=O)N(CC(C)C)c3ccccc31)OCO2 409115866 LFVGJWURWNGYLZ-PXNMLYILSA-N 351.402 3.967 0 40 FHAB O=C(NCc1ccc(CN2CCCC2=O)cc1)c1ccc2c(c1)CCCC2 79221135 KYKGUTPTKZFLFZ-UHFFFAOYSA-N 362.473 3.618 0 40 FHAB COc1cc(S(=O)(=O)Nc2ccc(C)cc2C)ccc1Br 32601949 CXPDPFCJFLEFNA-UHFFFAOYSA-N 370.268 3.875 0 40 FHAB C[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1ccc(I)cc1 32109874 UKUJCWUKFVTSPO-SUNKGSAMSA-N 357.235 3.846 0 40 FHAB Cc1cccc(N2N=C(C(=O)Nc3ccc(F)c(F)c3F)CCC2=O)c1 36309047 SLYMMKWASGDQDC-UHFFFAOYSA-N 361.323 3.534 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)Nc1nnc(SCC(C)C)s1 225600978 HINQXMBSMYZXGL-UHFFFAOYSA-N 361.489 3.535 0 40 FHAB CCOc1cc(CNC(=O)Cc2ccc(Cl)cc2F)ccc1OC 225186064 NWXCEPQVRAYFDW-UHFFFAOYSA-N 351.805 3.745 0 40 FHAB Cc1ccc(C(=O)N(C)C2CCCC2)cc1S(=O)(=O)Nc1ccccc1 44839449 CHHIPKPJTQGFHL-UHFFFAOYSA-N 372.490 3.810 0 40 FHAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCOCC)nc1 225897498 NSGOCSKUYKPAIY-LJQANCHMSA-N 352.475 3.811 0 40 FHAB COc1cccc(NC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1 225764070 ZIVXKIWUJIWVLF-UHFFFAOYSA-N 355.438 3.812 0 40 FHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1 44845963 WRJRCZGDIAPEDI-NSHGMRRFSA-N 360.542 3.945 0 40 FHAB COc1cccc([C@@H]2CN(Cc3ccc4oc(C(=O)O)cc4c3)CCO2)c1 571096370 AEWZBKHIZOIVJI-FQEVSTJZSA-N 367.401 3.713 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)NCc1cccc(C(F)(F)F)c1 223923497 WNISVAHOZYDCMU-LBPRGKRZSA-N 353.340 3.798 0 40 FHAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccs2)N1Cc1ccncc1 223483250 KVRSAUAFGMNYJC-IRXDYDNUSA-N 352.488 3.711 0 40 FHAB CCc1c(C(=O)OC)cnn1-c1cc(Oc2cc(C)ccc2C)nc(C)n1 96318757 AXDJBQPQCOJETD-UHFFFAOYSA-N 366.421 3.729 0 40 FHAB C[C@@H](NC(=O)c1ccc(F)cc1)c1onc(-c2ccccc2)c1C(=O)O 96296915 NQLXVNYFGMXGND-LLVKDONJSA-N 354.337 3.670 0 40 FHAB biogenic,in-vitro COc1cc(OC)cc(-c2nnc3sc(-c4sc(C)nc4C)nn23)c1 95476682 XSEJXUWLYVJBFI-UHFFFAOYSA-N 373.463 3.610 0 40 FHAB O=C(Nc1cccc2c1OCC[C@H]2O)c1ccc(O[C@@H]2CC2(F)F)cc1 529043833 QZEIOXRNZKSLKD-HZPDHXFCSA-N 361.344 3.541 0 40 FHAB CCc1ccc([C@@H]2CCCN(C(=O)c3cc(C)nc4c3cnn4C)C2)cc1 585082163 TZNNNPSPYRQDFH-GOSISDBHSA-N 362.477 3.859 0 40 FHAB CN(C)C(=O)c1sc2ncccc2c1C1CCN(c2ccccn2)CC1 257282744 OVCLMZGBNWFQRG-UHFFFAOYSA-N 366.490 3.777 0 40 FHAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1)c1cccnc1 257269122 MOQZWGVEWMYBSJ-HDJSIYSDSA-N 368.462 3.897 0 40 FHAB COc1cccc2c(C(=O)N[C@@H](c3cccs3)C(C)(C)CO)coc12 1615610870 PQSWQAWYHGHKIB-KRWDZBQOSA-N 359.447 3.993 0 40 FHAB COCCN1CCC[C@]12CCCN(C(=O)c1ccc(Cl)c(F)c1)CC2 585100291 JUEBDCDWFSSSRP-IBGZPJMESA-N 368.880 3.586 0 40 FHAB C[C@@H]1CN([C@H](C)c2ccc(-c3nn[nH]n3)cc2)CCc2ccc(F)cc21 1590304041 OQYVRVCNUJTPML-ZIAGYGMSSA-N 351.429 3.729 0 40 FHAB Cc1nnc(SCC(=O)N[C@H]2CCCC[C@@H]2C)n1C1CCCCC1 5865581 LTJFIECYIXKMCR-BBRMVZONSA-N 350.532 3.879 0 40 FHAB CCOc1cc(/C=C2/N=C(c3ccccc3F)NC2=O)cc(Cl)c1O 5001061 NMFNMQORKXWXDP-RIYZIHGNSA-N 360.772 3.501 0 40 FHAB Cc1cccc(NC(=O)[C@H](C)Sc2nnnn2-c2c(C)cccc2C)c1 5391615 JFGFJVVDQXMFDC-HNNXBMFYSA-N 367.478 3.707 0 40 FHAB COc1ccc(Cl)cc1C(=O)N(C)CC(=O)Nc1c(C)cccc1C 14202032 RVRZZXIHTKSCQY-UHFFFAOYSA-N 360.841 3.676 0 40 FHAB COc1ccc(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(OC)c1OC 15604497 PYWYXQAVYAKOLV-UHFFFAOYSA-N 369.339 3.912 0 40 FHAB COc1ccc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)cc1 17073037 HLOGZJSDTACZMX-UHFFFAOYSA-N 352.415 3.681 0 40 FHAB CC1(C)Cc2cc(CN3CCC(CC(=O)N4CCCC4)CC3)ccc2O1 19748525 RMLGGBFZMBMWCN-UHFFFAOYSA-N 356.510 3.625 0 40 FHAB CC(C)(C)c1ccccc1NC(=O)COC(=O)c1n[nH]c2ccccc12 5827329 TZQUYORYNTWAKM-UHFFFAOYSA-N 351.406 3.656 0 40 FHAB O=C(COc1ccc(-c2ccccc2)cc1)N1CC[C@H](Oc2ccncc2)C1 245015328 LWKKQFQHNUCNIJ-QFIPXVFZSA-N 374.440 3.807 0 40 FHAB Cc1ccsc1-c1nn2c(-c3cc(CC(C)C)nn3C)nnc2s1 79475780 SVTVZIANEHWXBG-UHFFFAOYSA-N 358.496 3.822 0 40 FHAB C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)OC2CCCC2)CC1 2056225321 KWUAPPAZGICWES-ATZDWAIDSA-N 362.514 3.815 0 40 FHAB COc1ccc(-c2nsc(SCC(=O)Nc3ccccc3)n2)cc1 3007360 LRFNZPBDALDQLD-UHFFFAOYSA-N 357.460 3.945 0 40 FHAB CN(C)CCCN(C(=O)Cc1ccccc1)c1nc2ccc(F)cc2s1 4359626 VAWKIBYPFFDVNU-UHFFFAOYSA-N 371.481 3.963 0 40 FHAB CC(C)c1ccc(OCC(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 4851975 FBJBUIKWBVALGY-UHFFFAOYSA-N 352.390 3.673 0 40 FHAB COc1cccc2sc(N(CCN(C)C)C(=O)c3ccccc3)nc12 10065764 QJZGJBCFRGKRKV-UHFFFAOYSA-N 355.463 3.513 0 40 FHAB CN1CCCc2cc(CCNC(=O)c3ccc(Br)cc3)ccc21 13006681 HOVBSWLQVLZAGE-UHFFFAOYSA-N 373.294 3.804 0 40 FHAB Cc1cc(-c2nnc(NC(=O)c3ccc(Br)o3)o2)c(C)o1 56905328 XFPSTQJBHULWMT-UHFFFAOYSA-N 352.144 3.554 0 40 FHAB CC(C)(C)c1ccc(NC(=O)N2CCN(Cc3cccnc3)CC2)cc1 40096405 IRKYQSGPJCLIDW-UHFFFAOYSA-N 352.482 3.729 0 40 FHAB Cc1noc(C)c1CCC(=O)NCc1cccnc1Oc1cccc(F)c1 40094330 UXNJGYMBZXRLRB-UHFFFAOYSA-N 369.396 3.867 0 40 FHAB Cc1cc(N2CCCC2)ccc1NC(=O)NCC1(N(C)C)CCCCC1 40103840 IGSDVPCKFYYJER-UHFFFAOYSA-N 358.530 3.981 0 40 FHAB Cc1cccc(COc2ccc(CNC(=O)C3CCN(C)CC3)cc2)c1 40158616 POZOEEBDZWMVEQ-UHFFFAOYSA-N 352.478 3.532 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1C 31395418 VQKUGMXCNQYNAY-GFCCVEGCSA-N 367.449 3.674 0 40 FHAB CCCCN(CCCC)C(=O)c1cc2c(=O)n3ccccc3nc2s1 2466863 HNNDDRZRIMGCMB-UHFFFAOYSA-N 357.479 3.952 0 40 FHAB CCOC(=O)Cc1csc(NC(=O)CSc2ccc(C)c(C)c2)n1 7536264 GJWSRTINIHILJV-UHFFFAOYSA-N 364.492 3.596 0 40 FHAB Fc1cccc(Br)c1[C@@H]1C[C@H](c2cccnc2)Nc2ncnn21 2500136 QTNPNNZEDCPQJI-KGLIPLIRSA-N 374.217 3.721 0 40 FHAB Cc1cccc(C(=O)c2cccc(CN3CCC4(CC3)OCCO4)c2)c1C 2515234 BFERJBAFTPQAHB-UHFFFAOYSA-N 365.473 3.873 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3O)o2)cc1C 850111 GKNYWEXEPYBYGV-UHFFFAOYSA-N 355.419 3.790 0 40 FHAB CCC(=O)Nc1ccc2nc(C)n(Cc3ccccc3Cl)c(=O)c2c1 930651 KWQOCASRCWQCNH-UHFFFAOYSA-N 355.825 3.755 0 40 FHAB CCn1c(CNc2ccccc2Cl)nnc1SCC(=O)OC(C)C 976302 ZMVANDXKCVEGNX-UHFFFAOYSA-N 368.890 3.607 0 40 FHAB COC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 976391 XVCYMQGPPZXICQ-UHFFFAOYSA-N 353.447 3.816 0 40 FHAB COc1ccc(C(=O)N(CC(C)C)c2nnc(-c3cccnc3)s2)cc1 1356879 CHVGWTOXKQHWAM-UHFFFAOYSA-N 368.462 3.912 0 40 FHAB CCC(=O)N(Cc1ccccc1)Cc1cc2cccc(C)c2n2nnnc12 1376762 UUKVNZDVARHGOW-UHFFFAOYSA-N 359.433 3.525 0 40 FHAB CC(C)CNC(=S)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1cccs1 1377766 LKAUYFUJHOLBHK-HOTGVXAUSA-N 351.585 3.754 0 40 FHAB CCC(=O)Nc1nnc(SCC(=O)Nc2cccc3ccccc23)s1 6348909 ZSLWDGACVFKWNI-UHFFFAOYSA-N 372.475 3.771 0 40 FHAB CCOc1ccccc1N1C[C@H](C(=O)Oc2c(C)cccc2C)CC1=O 7657858 WABOCRBRJSGJFG-MRXNPFEDSA-N 353.418 3.661 0 40 FHAB Cc1noc(C)c1COc1ccc(C(=O)Oc2ccc3c(c2)OCO3)cc1 7658424 IHAWLDGZAMSDLC-UHFFFAOYSA-N 367.357 3.818 0 40 FHAB CCOC(=O)C1CCN([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)CC1 7663662 UBUKVKXKRSDVSR-LBPRGKRZSA-N 363.845 3.726 0 40 FHAB COc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3)cs2)cc1OC 7956545 OJAOCYYTKPTHIW-UHFFFAOYSA-N 372.421 3.896 0 40 FHAB CCCOc1ccc(CN[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 20925299 AXYLGDRYALPNLZ-HXUWFJFHSA-N 352.434 3.742 0 40 FHAB CCn1c(S)nc2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2c1=O 101729833 LGEGYJLGZFBMLU-UHFFFAOYSA-N 361.511 3.650 0 40 FHAB C[C@H]1C[C@H](C)CN(C(=O)CSc2nnc(Nc3ccccc3)s2)C1 2625982 ATDQTWOIFPBXBU-STQMWFEESA-N 362.524 3.878 0 40 FHAB CCc1ccc(CCC(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1 10362579 JTFWSHIJLZJOLJ-UHFFFAOYSA-N 371.433 3.624 0 40 FHAB COc1cc(CNC[C@H](C)O)cc(Cl)c1OCc1ccccc1F 8497905 USVHUUKTZAFCRJ-LBPRGKRZSA-N 353.821 3.537 0 40 FHAB COc1ccc(OC)c(NC(=O)Nc2ccn(Cc3ccccc3C)n2)c1 8571186 HDAOBTIGILUEQG-UHFFFAOYSA-N 366.421 3.901 0 40 FHAB CC(=O)Oc1ccc(/C=C/c2noc(-c3ccccc3OC(C)=O)n2)cc1 7781978 ABORUHUTPSHKFL-FMIVXFBMSA-N 364.357 3.758 0 40 FHAB Cc1cccc2sc(NC(=O)C[C@@H](C)NC(=O)c3ccccc3)nc12 21447376 UNKBZZYDBSIMCG-CYBMUJFWSA-N 353.447 3.752 0 40 FHAB O=C(NCCc1ccc2c(c1)OCO2)c1occc1COc1ccccc1 21402841 CQLLAPOVARMZRR-UHFFFAOYSA-N 365.385 3.560 0 40 FHAB COc1ccc(-c2nsc(NC(=O)COc3ccc(C)cc3)n2)cc1 12062448 VSEZBWKZMNUGBC-UHFFFAOYSA-N 355.419 3.540 0 40 FHAB O=C(NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1)c1ccco1 2778850 QSHYGLWENVGRLW-UHFFFAOYSA-N 361.751 3.846 0 40 FHAB CN(CCCNC(=O)c1ccc(C(F)(F)F)cc1)Cc1ccccc1 41571609 HLNYWGVTKKMJCB-UHFFFAOYSA-N 350.384 3.957 0 40 FHAB COc1ccc(CCC(=O)NCCSc2ccc(C)cc2)cc1OC 20104138 CVNDTFSYXNJPTG-UHFFFAOYSA-N 359.491 3.853 0 40 FHAB Cc1csc(-c2ccc(OCC(=O)Nc3ccc4c(c3)OCO4)cc2)n1 7995246 XAWAWEWEHMTAHX-UHFFFAOYSA-N 368.414 3.865 0 40 FHAB COc1ccc2c(C)c(CCC(=O)Nc3ccccc3F)c(=O)oc2c1 12460523 LMBPIYKJEAUWOF-UHFFFAOYSA-N 355.365 3.820 0 40 FHAB CC[C@H](C)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 821368 WHJSBLHNPPKVKH-BTYIYWSLSA-N 368.502 3.989 0 40 FHAB C[C@H](CC(=O)O)CC(=O)N1CCC[C@@H]1c1cccc(Br)c1 61836592 GAGDNJPNMJPFLX-SMDDNHRTSA-N 354.244 3.614 0 40 FHAB O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(Cl)c2c(c1)OCCO2 23387273 DWXBHNFLQBDTKR-MNOVXSKESA-N 363.763 3.962 0 40 FHAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cccnc1N1CCCC1 23731173 AKPGCSVEUNNIPP-UHFFFAOYSA-N 350.466 3.924 0 40 FHAB CC(C)c1noc([C@@H](C)S(=O)(=O)Cc2csc(C(C)(C)C)n2)n1 55207549 JZUAJZAOKKQEQP-SNVBAGLBSA-N 357.501 3.623 0 40 FHAB C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccccc1 25714372 LWAVHRZVEMHMSF-HOCLYGCPSA-N 356.853 3.613 0 40 FHAB CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(OC)cc1OC 27975782 HZIABINTVBVEIY-IBGZPJMESA-N 355.434 3.989 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)NCC1(c2ccc(F)cc2)CCOCC1 55453387 AIUJXBQYLKQUSW-UHFFFAOYSA-N 366.436 3.714 0 40 FHAB Cc1c(C(=O)CSc2ccc(Br)cc2)sc2ncnn12 1402668 LZUZHNYVSGHQBW-UHFFFAOYSA-N 368.281 3.837 0 40 FHAB CC(C)c1ccc([C@@H](O)CN2C(=O)[C@@H](C)N(c3ccc(F)cc3)C2=O)cc1 44263982 ANOZYAJJYPVCHL-KUHUBIRLSA-N 370.424 3.840 0 40 FHAB COc1cccc([C@@H]2CCCN2C(=O)Nc2ccccc2C(=O)N(C)C)c1 44238883 ZMWZSPJMAOJKFQ-IBGZPJMESA-N 367.449 3.766 0 40 FHAB COCCN1C(=O)S/C(=C/c2cc(Cl)c(OC)c(Cl)c2)C1=O 409138112 YVRSTCYGFUTFCG-YRNVUSSQSA-N 362.234 3.685 0 40 FHAB O=C(NCc1ccccc1-n1ccnc1)c1ccc(N2CCCCC2)cc1 20050376 AIKANKZQBVNHLJ-UHFFFAOYSA-N 360.461 3.793 0 40 FHAB COC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)nc1C 27582539 QLKZUZPOLZWMGA-UHFFFAOYSA-N 371.418 3.762 0 40 FHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cccc(-n2cccc2)c1 8140940 UFOLDXAYDLUDGC-UHFFFAOYSA-N 361.445 3.805 0 40 FHAB CCCc1ccc([C@@H](NC(=O)c2ccn(C)c(=O)c2)c2cccs2)cc1 36397428 ZFARYIKNLXOOFY-HXUWFJFHSA-N 366.486 3.919 0 40 FHAB Cc1cc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2)ccc1-n1cnnn1 58894164 MTKQWVLQMLJLIS-LBPRGKRZSA-N 356.817 3.507 0 40 FHAB CC(C)(C)C(=O)Nc1cccc(NC(=O)CCc2ccc3c(c2)OCO3)c1 12745642 QRSYKYPEWMFYOJ-UHFFFAOYSA-N 368.433 3.971 0 40 FHAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cc(Cl)cc(Cl)c1 12761418 KLNRMCHCRNVHRE-UHFFFAOYSA-N 368.245 3.564 0 40 FHAB COc1ccc(NC(=O)c2ccoc2)cc1OCc1cn2ccccc2n1 48206248 AJAKXLLUTQQRGX-UHFFFAOYSA-N 363.373 3.767 0 40 FHAB CCCC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O 13008061 ZFBNDTSBHPPSFL-UHFFFAOYSA-N 368.842 3.585 0 40 FHAB CCN(CC(=O)NC(C)(C)C)C(=O)c1cc(C(C)C)nc2ccccc12 13014309 WQDZWBHJURIKSA-UHFFFAOYSA-N 355.482 3.735 0 40 FHAB O=C(NCCc1ccccn1)c1cccn1-c1ccc(Br)cc1 4049802 DXBUFWHNBVQCSO-UHFFFAOYSA-N 370.250 3.607 0 40 FHAB O=C(O)c1ccc(CNCc2ccc(-c3cccc(C(=O)O)c3)o2)cc1 13689653 LZIXFQRNYIMZOI-UHFFFAOYSA-N 351.358 3.633 0 40 FHAB CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccc(OC)cc1 13759494 BMBVFXFLXKDLAP-UHFFFAOYSA-N 350.418 3.507 0 40 FHAB CCNC(=O)c1cccc(NC(=O)c2cc(Br)ccc2F)c1 14171117 ZMAAOHDOFPLCNC-UHFFFAOYSA-N 365.202 3.590 0 40 FHAB Cc1ccc(C(=O)Nc2cc3c(cc2Br)OCCO3)s1 14250026 MXORAIJUGSVWBD-UHFFFAOYSA-N 354.225 3.843 0 40 FHAB Cc1ccc(C(=O)Nn2cnc3scc(-c4ccco4)c3c2=O)cc1C 18152208 LQAORPQSIIWCIC-UHFFFAOYSA-N 365.414 3.719 0 40 FHAB COc1ccc(C2=N/C(=C\c3c(F)c(F)c(F)c(F)c3F)C(=O)O2)cc1 4696829 CUTQMPDWWQRTTJ-POHAHGRESA-N 369.245 3.735 0 40 FHAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCc2ccccc21 4667080 FZVYPPMKBHHAQC-UHFFFAOYSA-N 351.855 3.799 0 40 FHAB C[C@@H](Sc1nnc(N2CCCCC2)n1C1CC1)C(=O)Nc1ccccc1 8704105 AZMZVYGJPKXQHI-CQSZACIVSA-N 371.510 3.723 0 40 FHAB O=C(O)c1cccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c1 15008617 FDWNZNSENMYWKF-OQLLNIDSSA-N 357.362 3.760 0 40 FHAB COc1cc(/C=C\C(N)=O)ccc1OCc1ccc(Br)cc1 409416268 VMZDYINXMOYPMJ-UITAMQMPSA-N 362.223 3.535 0 40 FHAB Cc1noc(C)c1Cn1ccn2nc(-c3cccc4ccccc34)cc2c1=O 67260755 QTFYEIGIHMIGBD-UHFFFAOYSA-N 370.412 3.969 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)cc1 7068337 JBFDTMZNEUFPAN-UHFFFAOYSA-N 371.824 3.678 0 40 FHAB CCc1cc(S(=O)(=O)n2cc(C)nc2-c2ccccc2)ccc1OC 9061955 RERGYVIIIQNLJP-UHFFFAOYSA-N 356.447 3.667 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1nnc(-c2cccnc2)o1 7298945 AUVAKACPHPNEGF-GFCCVEGCSA-N 370.434 3.568 0 40 FHAB O=C(CSc1cccc[n+]1[O-])c1ccc(NC(=O)c2ccccc2)cc1 7269136 MKRLTDHQYKFPIV-UHFFFAOYSA-N 364.426 3.547 0 40 FHAB O=C(CN1CCSc2ccccc21)N1CC=C(c2ccccc2)CC1 7355539 OIMWEKQBZGCNHK-UHFFFAOYSA-N 350.487 3.915 0 40 FHAB Cc1ccc(CNc2nc(-c3cccs3)nn2C(=O)c2ccco2)o1 9667683 GGZBNXBNSWGOMM-UHFFFAOYSA-N 354.391 3.802 0 40 FHAB Cc1noc2ncc(C(=O)N3CCCCC[C@@H]3c3noc(C(C)C)n3)cc12 96001239 OOTVIVJLGGMQTM-OAHLLOKOSA-N 369.425 3.795 0 40 FHAB COCCCNC(=S)N1CCc2sccc2[C@@H]1c1cccs1 83902592 RSFNPTOGCGQKEH-OAHLLOKOSA-N 352.550 3.668 0 40 FHAB CCc1ccc(C(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 25902387 PUWYDYYIQOVBOP-UHFFFAOYSA-N 374.843 3.640 0 40 FHAB CC(=O)c1c(C)cc(C)c(Cn2nnc(-c3ccc(F)c(C)c3)n2)c1C 84076907 IIBBXVJYYSNYQJ-UHFFFAOYSA-N 352.413 3.964 0 40 FHAB Cc1csc(N2CCCN(Cc3ccccc3OC(F)F)CC2)n1 84268465 BYDKDQWSZJGERW-UHFFFAOYSA-N 353.438 3.765 0 40 FHAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CCc2sccc2[C@@H]1C 84718196 DMNSNOFFJLJWFC-IFXJQAMLSA-N 368.502 3.730 0 40 FHAB CCNC(=O)C(C)(C)CNC(=O)[C@H](Sc1ccccc1)c1ccccc1 84789437 BXMOJYNRGPQRLA-GOSISDBHSA-N 370.518 3.799 0 40 FHAB COc1ccc([C@H](O)[C@@H](C)NC(=O)c2ccc3ccc(Cl)cc3n2)cc1 95444117 FEXNNMUZIBNBRX-CWTRNNRKSA-N 370.836 3.749 0 40 FHAB O=C(c1cccc(Cl)c1)N1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 98211656 KRCVHRCZNGZXBS-UHFFFAOYSA-N 366.852 3.693 0 40 FHAB O=C1C[C@@H](Sc2nc3ccccc3o2)C(=O)N1c1ccc(F)c(F)c1 20798851 SDTZBDJLNRDPIA-CQSZACIVSA-N 360.341 3.530 0 40 FHAB O=C(NCc1ccccc1)c1ccc(COc2ccc3c(c2)OCO3)o1 28223663 CZQRSGPXJQWLAT-UHFFFAOYSA-N 351.358 3.517 0 40 FHAB Cc1ccc(S[C@@H](C)C(=O)NCc2ccccc2-n2ccnc2)cc1 20494537 JAYPJNABYFPZCT-INIZCTEOSA-N 351.475 3.978 0 40 FHAB CS(=O)(=O)Nc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1Cl 61341700 OEJKLEGRCSGLJM-UHFFFAOYSA-N 359.234 3.617 0 40 FHAB O=C1c2cccc3c(N4CCCC4)ccc(c23)C(=O)N1c1cccc(O)c1 408533378 RZPUTTQESKBDSX-UHFFFAOYSA-N 358.397 3.946 0 40 FHAB COCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O 409148305 YBEPNCQPTVPUAI-QGOAFFKASA-N 369.442 3.948 0 40 FHAB CCCC[C@](C)(O)C/C=C/[C@@H]1[C@@H](O)CC(=O)[C@H]1CCCCCCC(=O)O 504209867 CNWGPXZGIIOYDL-VEIAAGICSA-N 368.514 3.865 0 40 FHAB O=C(CC1CC1)N1Cc2ccccc2[C@@H](c2nccn2Cc2cccnc2)C1 306143894 YQBZFLHUVFUNFA-NRFANRHFSA-N 372.472 3.601 0 40 FHAB COc1cccc(Cn2nccc2NC(=O)CCc2ccsc2)c1OC 36874872 PEHWSSNADMQMFE-UHFFFAOYSA-N 371.462 3.581 0 40 FHAB CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(CC(C)C)C1 72395927 YRVPSDOXTZOMRF-JOCHJYFZSA-N 369.509 3.758 0 40 FHAB O[C@@H](Cc1cccc(Cl)c1)CN1CC=C(c2c[nH]c3ncccc23)CC1 558099059 XMGOXCYNNSAYGV-SFHVURJKSA-N 367.880 3.909 0 40 FHAB Cc1cc(C(=O)NCc2ccccc2F)c2cnn(C3CCCC3)c2n1 71283115 GWGZISONIMMKDR-UHFFFAOYSA-N 352.413 3.924 0 40 FHAB Cc1n[nH]cc1C(=O)N1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 72358051 PZARSMJXSGLMHM-FQEVSTJZSA-N 364.424 3.820 0 40 FHAB Cc1nn(C)c(C)c1-c1nn2c(-c3ccc(Cl)cc3F)nnc2s1 36359910 UTCJTXFIPPXBNO-UHFFFAOYSA-N 362.821 3.663 0 40 FHAB COc1cc(OC)c(-c2nc3cnccn3c2NC(C)(C)C)cc1OC 72341934 GBGXTRCSNFIDAB-UHFFFAOYSA-N 356.426 3.633 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cnc(Cl)cc2C)cc1 72217850 BLLFGWUPNDPGGW-INIZCTEOSA-N 350.871 3.878 0 40 FHAB Clc1ncc(CN2CCCN(Cc3cnc(Cl)s3)CC2)s1 43804545 OBZCCHDYWKSTIL-UHFFFAOYSA-N 363.339 3.614 0 40 FHAB COC(=O)c1ccc(C)c(NC(=S)NCCCOC2CCCCC2)c1 225617415 DUSQISVXOWSGCK-UHFFFAOYSA-N 364.511 3.807 0 40 FHAB Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)s1 42379948 WIZYBUKKNQFBOX-GFCCVEGCSA-N 374.491 3.891 0 40 FHAB CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1 223298146 YJHIDEKPCHAVET-WDSOQIARSA-N 370.522 3.616 0 40 FHAB Cc1ccc(CS(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 224171124 RBZGNZWTNNMOJG-UHFFFAOYSA-N 361.507 3.791 0 40 FHAB O=C1C[C@H](c2cccs2)c2c(c(C(=O)O)cn2-c2cccc(F)c2)N1 49545061 HEYQMCKOFBJVJE-GFCCVEGCSA-N 356.378 3.850 0 40 FHAB O=C(NCc1cccs1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 42646447 HZBXTTBRYGEZAH-UHFFFAOYSA-N 362.760 3.675 0 40 FHAB O=C(COc1ccc2c(c1)CCCC2)NCCCN1CCc2ccccc21 223230882 GEVYRMWZXSWUAD-UHFFFAOYSA-N 364.489 3.513 0 40 FHAB Fc1ccc(CNC[C@H]2Cn3c(-c4ccc(F)cc4)cnc3CO2)cc1 96112934 MGOJRXOAMQLTCR-SFHVURJKSA-N 355.388 3.517 0 40 FHAB biogenic,in-vitro O=C(c1cscn1)N1CCC2(CCN(Cc3ccsc3)CC2)CC1 96047285 DVRQYMVCPLFQLB-UHFFFAOYSA-N 361.536 3.723 0 40 FHAB COc1cnc(NC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)cn1 585084725 AQGYOUYERBEEQD-SFHVURJKSA-N 360.417 3.665 0 40 FHAB CC1(C)CC[C@H]2CN(C(=O)COc3ccccc3Cl)CC[C@@]2(C)O1 585286929 XWRQWKJWTNORKJ-IFXJQAMLSA-N 351.874 3.915 0 40 FHAB Cc1ccc(-c2nnc(S)n2CC(=O)N2c3ccccc3C[C@@H]2C)cc1 65537068 ZMEUMEHCKFDDHH-AWEZNQCLSA-N 364.474 3.520 0 40 FHAB COc1cc(Cl)c(S(=O)(=O)n2c(C)nc3ccccc32)cc1Cl 5236169 FURRYDYQDGFEFA-UHFFFAOYSA-N 371.245 3.897 0 40 FHAB CN(C)CCN(C(=O)Cc1ccc(F)cc1)c1nc2ccccc2s1 5268251 CFVMHTKHCRRZBL-UHFFFAOYSA-N 357.454 3.573 0 40 FHAB CC1(C)Cc2nc(N3CCCC3)ncc2[C@H](NC(=O)CC2CCCC2)C1 12221005 WRHJLNJJMCKSKS-QGZVFWFLSA-N 356.514 3.787 0 40 FHAB CN(C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccccc1 15349380 LXEHTOQDFJTOIW-UHFFFAOYSA-N 372.471 3.826 0 40 FHAB C[C@@H](NC(=O)c1nnc(Cc2c(F)cccc2Cl)o1)c1ccccc1 16576921 SIUSLWBAPQWQEE-LLVKDONJSA-N 359.788 3.944 0 40 FHAB CCn1c(-n2nc(C)cc2NC(=O)c2cccs2)nc2ccccc21 16778377 LPNYGWPSVPDJBL-UHFFFAOYSA-N 351.435 3.864 0 40 FHAB CCN1C[C@H](CN(C)C(=O)Nc2ccc(F)cc2F)Oc2ccccc21 17743661 ZXELNCJMIJLBKF-AWEZNQCLSA-N 361.392 3.716 0 40 FHAB CC(C)[C@H](NC(=O)c1ccccc1Cn1cncn1)c1ccc(F)cc1 19445777 WXUQZXCHIBPTRX-IBGZPJMESA-N 352.413 3.593 0 40 FHAB Cc1oc2ncn3nc([C@@H](C)NC(=O)CCC4CCCC4)nc3c2c1C 19559511 YFXJACOAAMUSIS-GFCCVEGCSA-N 355.442 3.635 0 40 FHAB CC(C)(C)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1 205853557 IRGHKJGWQZLLRP-FOWTUZBSSA-N 372.490 3.643 0 40 FHAB O=S(=O)(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(F)cc1 152686336 UUMNFNUPECOAOI-UHFFFAOYSA-N 369.830 3.798 0 40 FHAB Cc1nccc(N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)n1 608081949 HICFXPJHSKUFMY-CQSZACIVSA-N 355.829 3.872 0 40 FHAB COc1ccc(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)cc1 11620677 FUSNUBPARJGHIH-UHFFFAOYSA-N 359.857 3.999 0 40 FHAB COc1ccc2c(CN(C)CCOc3ccc(C)cc3)cc(=O)oc2c1 15102642 BQIZCIQDQPJXMI-UHFFFAOYSA-N 353.418 3.621 0 40 FHAB Cc1noc([C@H]2CN(C(=O)NCc3cccs3)C[C@H]2c2ccccc2)n1 238971836 ZMGSEPJJIWDOSA-IRXDYDNUSA-N 368.462 3.532 0 40 FHAB Cc1nn(C)cc1CN1CCC(c2cccc(Nc3nccs3)n2)CC1 2037834676 BVMRWGZGBWESSY-UHFFFAOYSA-N 368.510 3.703 0 40 FHAB CCN(C(=O)OC(C)(C)C)[C@@H]1CCO[C@H](c2ccnc(-c3cn[nH]c3)c2)C1 2037845991 JRZNFBAJOOMTEM-AEFFLSMTSA-N 372.469 3.949 0 40 FHAB Cc1cc(O)cc2c1[C@@H](c1ccccc1)C[C@]1(CC(C)(C)NC(=S)N1)O2 1441333 IPBDAKITJGHCCH-IIBYNOLFSA-N 368.502 3.958 0 40 FHAB O=C(c1ccc(F)c(F)c1)N1CCN=C1SCc1cccc(F)c1 4119881 IGEHBEFBNKKNDX-UHFFFAOYSA-N 350.365 3.849 0 40 FHAB COc1cccc(-c2nnc(Nc3nc4cc5c(cc4s3)OCO5)o2)c1 4137833 HOQFKIRUVZZBFC-UHFFFAOYSA-N 368.374 3.827 0 40 FHAB COc1ccc2oc(=O)c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cc2c1 4452105 NMOVBJYGHOOFDI-UHFFFAOYSA-N 367.445 3.748 0 40 FHAB CCCC[C@@H](CC)CN[C@H](CC(=O)Nc1ccc(F)cc1F)C(=O)O 5258745 UAMVQSCENRIJKN-MLGOLLRUSA-N 356.413 3.553 0 40 FHAB COc1ccccc1CNC(=O)Cc1csc(Nc2ccc(F)cc2)n1 16850220 BZRVWBIJRGOMJV-UHFFFAOYSA-N 371.437 3.893 0 40 FHAB COc1ccc(OC)c2c1s/c(=N\C(=O)c1ccc(Cl)s1)n2C 100823954 WCIJHFFYKQSYTA-ICFOKQHNSA-N 368.867 3.713 0 40 FHAB O=S(=O)(c1cccnc1)N1CCS[C@@H](c2ccccc2Cl)CC1 207000885 FAPQWGIARFDFHB-MRXNPFEDSA-N 368.911 3.604 0 40 FHAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(NS(C)(=O)=O)cc12 5516204 SYDASEHCIMVSLI-UHFFFAOYSA-N 359.403 3.648 0 40 FHAB O=C(Cc1csc(Nc2ccc(F)cc2)n1)Nc1ccc2c(c1)OCO2 16850190 CCFURYMFNFWQAS-UHFFFAOYSA-N 371.393 3.936 0 40 FHAB Cc1ccc(Nc2nc(CN3CCN(c4ccccn4)CC3)cs2)cc1 21866310 HTDPYNASRGWFKL-UHFFFAOYSA-N 365.506 3.912 0 40 FHAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2)cc1)[C@H]1CCCO1 30762508 FJOQQOAZBWUCDR-JOCHJYFZSA-N 364.489 3.745 0 40 FHAB CCn1c(=O)c(C)nc2cc(C(=O)N[C@H](c3ccccc3)C3CC3)ccc21 31039148 CEEFJVUZJYJYCX-HXUWFJFHSA-N 361.445 3.606 0 40 FHAB CC1(C)CC(=O)c2cc(C(=O)NC(C)(C)C)c(=O)n(-c3ccccc3)c2C1 809758 CTOWFAPCMJNZPD-UHFFFAOYSA-N 366.461 3.521 0 40 FHAB CCNC(=S)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O 884409 GQNOADWOQUQJCG-UHFFFAOYSA-N 371.531 3.795 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2C)c1C 899313 ODSUNDOOEOODEA-UHFFFAOYSA-N 368.462 3.535 0 40 FHAB O=C1O[C@@H]2C=CC=CC2=C[C@H]1C(=O)N1CCS[C@H]1c1ccccc1Cl 971706 LRACAJQOFCOBDM-LESCRADOSA-N 373.861 3.508 0 40 FHAB Cc1cc(C)cc(OCCN(C)[C@H](C)C(=O)Nc2ccc(Cl)cn2)c1 29153051 LEPJSDCSDLRJLS-OAHLLOKOSA-N 361.873 3.690 0 40 FHAB COC(=O)c1cc(C)sc1NC(=S)NCc1ccccc1Cl 17073412 MTZVEBIXSSILBP-UHFFFAOYSA-N 354.884 3.983 0 40 FHAB COC(=O)[C@@]1(Cc2ccc3c(c2)CCC3)Cc2ccc3c(c2[C@H]1O)CCC3 1646168 OWCFGVVLNAWNMG-VWNXMTODSA-N 362.469 3.656 0 40 FHAB COc1ccc(-c2nc3nc4ccccc4nc3n2C[C@H]2CCCO2)cc1 2434525 WTWPAFPMEDREIT-MRXNPFEDSA-N 360.417 3.834 0 40 FHAB Cc1noc(C)c1C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 2503102 DQLRNTVVKFIGPV-UHFFFAOYSA-N 364.814 3.628 0 40 FHAB CCOc1ccc(Nc2nc(NC)nc3c2cnn3-c2ccccc2)cc1 17308020 ONLNVNXUPWFWFJ-UHFFFAOYSA-N 360.421 4.000 0 40 FHAB COc1cc(/C=C/C(=O)OCCOc2ccc(C)cc2)cc(OC)c1OC 7507111 DONCPHSQVBSXQT-JXMROGBWSA-N 372.417 3.656 0 40 FHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2C)cc1C 8414273 UKAHFCXCYMCAES-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB Cc1cc(C)n(CCCNC(=O)CCCc2nc3ccccc3s2)n1 32999753 YDFJSWFNYPVFCJ-UHFFFAOYSA-N 356.495 3.639 0 40 FHAB COC(=O)c1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)cc1 2694926 SKKYWHQVWRZGHE-UHFFFAOYSA-N 373.416 3.963 0 40 FHAB CSc1nnc(S[C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)s1 104884582 ANGMGLJJSXKASZ-OSUNSFLBSA-N 357.570 3.682 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCN([C@H]3CCCC[C@H]3C)CC2)cc1Cl 57698461 GIUIVAMVPPCYOA-QAPCUYQASA-N 370.946 3.533 0 40 FHAB CCOC(=O)[C@H]1C(=O)OC(C)(C)[C@H]1[C@H](CC)C(=O)c1c(C)cc(C)cc1C 102737989 AUGICTWZDMWTJI-SZMVWBNQSA-N 374.477 3.952 0 40 FHAB Cc1nc2ccc(NC(=O)NCc3ccc(N4CCCC4)nc3)cc2s1 43375580 NHZQVOYQRKKQCG-UHFFFAOYSA-N 367.478 3.922 0 40 FHAB Cc1c(NC(=O)C2(c3ccccc3)CCC2)c(=O)n(-c2ccccc2)n1C 25462381 VXPIYSTXGTZJBS-UHFFFAOYSA-N 361.445 3.545 0 40 FHAB CCc1c(C(=O)Oc2ccc(NC(C)=O)cc2)cnn1-c1ccc(F)cc1 24753087 KWDDIAMYZUBVEE-UHFFFAOYSA-N 367.380 3.751 0 40 FHAB CCn1c(=O)c(C)nc2cc(C(=O)Nc3ccccc3OC(F)F)ccc21 25722591 QZWWUPQMCMJSQX-UHFFFAOYSA-N 373.359 3.579 0 40 FHAB O=C(NC1CCC(c2ccccc2)CC1)[C@H]1CCCN1c1nccs1 89828069 GGXIGOBKESTRMV-DAWZGUTISA-N 355.507 3.955 0 40 FHAB Cc1cc(NC(=S)NC(=O)C(C)C)ccc1NC(=O)c1ccccc1 21596319 DWGWUVGAYIQNGG-UHFFFAOYSA-N 355.463 3.716 0 40 FHAB COc1ccc(CNC(=O)Nc2cccc(COCc3ccco3)c2)cn1 47603220 ZRBBICFCRLPLGK-UHFFFAOYSA-N 367.405 3.722 0 40 FHAB CSc1ccc(S(=O)(=O)NCCOc2cccc3ccccc23)cc1 64597104 INWTYCXOPSLOGU-UHFFFAOYSA-N 373.499 3.919 0 40 FHAB COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc12 12553286 LCWFGQPSVFJMGS-UHFFFAOYSA-N 364.420 3.950 0 40 FHAB CCc1ccc([C@H](N[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)C(C)C)cc1 57838672 RSKSEBOYFLXSNO-HNAYVOBHSA-N 356.514 3.913 0 40 FHAB CN(CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)Cc1ccco1 58191237 WAAHJWKFZYNZJH-UHFFFAOYSA-N 369.446 3.664 0 40 FHAB COc1ccc(Cn2ncc(C)c2NC(=O)NC2CCCCC2)cc1OC 58102834 CUSNEPQQYJVPOK-UHFFFAOYSA-N 372.469 3.711 0 40 FHAB C[C@H](NC(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1)c1ccccc1 3247207 DEJPEARLAZMDIN-AWEZNQCLSA-N 373.836 3.724 0 40 FHAB O=C(NC1CCN(CCCc2nc3ccccc3o2)CC1)C1CCCCC1 58391956 QUUXOIKCBIUDSJ-UHFFFAOYSA-N 369.509 3.921 0 40 FHAB O=C(Oc1ccc(-c2nnco2)cc1)c1ccc(Br)cc1F 12613536 POFLSMPETKLBHE-UHFFFAOYSA-N 363.142 3.857 0 40 FHAB CCOCc1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 28331453 GAJSYJZYLCJDRH-UHFFFAOYSA-N 373.396 3.720 0 40 FHAB CCc1ccc(NC(=O)COC(=O)CCn2ccc3ccccc32)cc1 3339816 LEABYQLVEDYRHA-UHFFFAOYSA-N 350.418 3.776 0 40 FHAB C[C@@H]1CN(C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 12778019 XJWPPZANMLAHBA-ZIAGYGMSSA-N 357.837 3.820 0 40 FHAB C[C@@H]1CC(=O)c2c(OCC(=O)N(C)Cc3ccc(F)cc3)ccc(F)c21 12744325 HVHSHJGKGHZWGO-GFCCVEGCSA-N 359.372 3.692 0 40 FHAB O=S(=O)(CCNCc1ccc(-c2ccc(F)cc2)o1)Cc1ccccc1 48277651 ZLKNJEWVCZUSLC-UHFFFAOYSA-N 373.449 3.790 0 40 FHAB O=C(NCc1ccc(Cl)cc1)Nc1cccc(CN2CCOC2=O)c1 48344394 RJLQEGFFDTYYIT-UHFFFAOYSA-N 359.813 3.614 0 40 FHAB O=C(O[C@@H]1CCOC1=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 3435925 ZEDMHYIGUDZPGP-GOSISDBHSA-N 351.333 3.513 0 40 FHAB CCc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 3414475 UHMRZPDSHNJHAN-OAHLLOKOSA-N 353.466 3.666 0 40 FHAB CCc1nnsc1C(=O)Oc1ccc(NC(=O)c2ccccc2)cc1 8406245 FYXVPKBZYYQFHN-UHFFFAOYSA-N 353.403 3.572 0 40 FHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1Br 12977036 CRSGNAMMSCFLRP-UHFFFAOYSA-N 354.269 3.973 0 40 FHAB COc1ccc(CN2CCNC(=O)C[C@H]2c2ccccc2)c(OC(C)C)c1 92075814 IYRKLBPORGDCKP-FQEVSTJZSA-N 368.477 3.546 0 40 FHAB O=S(=O)(c1ccccc1)N1N=C(c2ccco2)C[C@H]1c1ccccc1 89827845 JEBAZKBUMDGYJI-SFHVURJKSA-N 352.415 3.820 0 40 FHAB CC(=O)NCc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 8772568 VLXHUFWTQRSLOF-UHFFFAOYSA-N 351.431 3.699 0 40 FHAB COc1ccc2[nH]cc(CCNC(=O)c3cc(Cl)ccc3OC)c2c1 4487694 GKOROHGVPXOSFF-UHFFFAOYSA-N 358.825 3.811 0 40 FHAB biogenic CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nc2ccccc21 4484545 SWFAOCANHBBFBU-UHFFFAOYSA-N 353.447 3.990 0 40 FHAB COc1cccc(NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)c1 14095833 KPPCZFKJSJKIAJ-UHFFFAOYSA-N 351.402 3.990 0 40 FHAB N[C@@H](Cc1ccccc1)c1nnc2n1N=C(c1ccc(Cl)cc1)CS2 5340404 TVBGRHXXORASLY-HNNXBMFYSA-N 369.881 3.532 0 40 FHAB Cn1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c(=O)c2ccccc21 408713455 ZLYQCRXDIXCJHR-UHFFFAOYSA-N 360.457 3.633 0 40 FHAB COc1ccc(C(=O)NC(=S)Nc2ccc(C(C)=O)cc2)cc1Cl 4663664 QQICQANWGREYKV-UHFFFAOYSA-N 362.838 3.678 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)cc1 6660261 DDJLCINSOPIQFP-UHFFFAOYSA-N 370.792 3.966 0 40 FHAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1Cl 6652758 JKNJDLVGALUCLJ-INIZCTEOSA-N 356.853 3.678 0 40 FHAB CCOc1ccc2nc(SCC(=O)Nc3c(C)n[nH]c3C)sc2c1 6788802 LUGPRCOGFUMMHA-UHFFFAOYSA-N 362.480 3.766 0 40 FHAB Cc1nc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cs1 7088158 NRWYOTLKBQAWQW-GOSISDBHSA-N 365.414 3.951 0 40 FHAB O=S(=O)(/C=C/c1ccc(Cl)cc1)NCCCOC1CCCCC1 15359817 IFZXODUAIVBHJH-SDNWHVSQSA-N 357.903 3.970 0 40 FHAB Cc1cccc(Nc2nc(N3C[C@@H](C)C[C@@H](C)C3)nc3c2cnn3C)c1 7448638 PSQIGYSXZKWMGK-GASCZTMLSA-N 350.470 3.898 0 40 FHAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(N2CCCC2)cc1C 7719168 IHINCOXFVPIRFZ-UHFFFAOYSA-N 366.461 3.988 0 40 FHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)COc2ccccc2F)c1 7889136 KKZOSURKSIBDKX-KRWDZBQOSA-N 359.397 3.585 0 40 FHAB Cc1ccc(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)c(C)c1 7927250 SIDSRWKVIKNXIM-QGZVFWFLSA-N 358.507 3.985 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(C)c2ccccc2C1 84016966 JKEZTNFRQNTLIV-UHFFFAOYSA-N 360.461 3.581 0 40 FHAB C[C@@H](NCc1ccnc(N2CCN(C)CC2)c1)c1cccc2ccccc12 95395908 UHAOBPHBNQBUIP-GOSISDBHSA-N 360.505 3.837 0 40 FHAB CCc1cc2c(N3CCC(C(=O)Nc4cccnc4)CC3)ncnc2s1 79111713 SOKRVHTVQPJAPT-UHFFFAOYSA-N 367.478 3.504 0 40 FHAB O=C(CCc1ccc2c(c1)CCO2)Nc1nc(-c2ccncc2)cs1 79494708 HONCDUQDCXAULA-UHFFFAOYSA-N 351.431 3.711 0 40 FHAB CCC[C@](C)(CO)NC(=O)Nc1c(C)c(C2CC2)nn1-c1ccccc1 75094225 NYFSAATWCAUOLP-HXUWFJFHSA-N 356.470 3.731 0 40 FHAB c1coc(CN2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 306126640 FASSEMJKYNJRFZ-GOSISDBHSA-N 359.433 3.764 0 40 FHAB CCCCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 409410918 AKLIIXWLIBGUCZ-LJQANCHMSA-N 358.463 3.584 0 40 FHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CCN(c2ccccc2)CC1 38756891 GSGQIIKNNDHWOI-HXUWFJFHSA-N 352.478 3.810 0 40 FHAB COC(=O)c1cccc(NC(=O)Cc2csc(Cc3ccccc3)n2)c1 32672677 NLTWWRWIUGFWMI-UHFFFAOYSA-N 366.442 3.702 0 40 FHAB COc1ccccc1CNC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38848813 YYFTXJSOXGETMZ-GOSISDBHSA-N 372.896 3.877 0 40 FHAB CCc1nnc(SCC(=O)c2ccc(Br)cc2)n1CC 216100794 FOUXXCVTDANIGF-UHFFFAOYSA-N 354.273 3.598 0 40 FHAB COc1ccc2oc(=O)c(C(=O)Nc3ccc(OC)c(Cl)c3)cc2c1 40949403 NBZBYDFSVVSVKX-UHFFFAOYSA-N 359.765 3.716 0 40 FHAB COc1cccc(-c2noc(CCC(=O)Nc3cc(C)ccc3OC)n2)c1 225824319 DGBUYRHCQPBRNE-UHFFFAOYSA-N 367.405 3.634 0 40 FHAB COc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccccc3)s2)cc1 136391273 GEDSYKHHIREOPL-LBPRGKRZSA-N 355.419 3.620 0 40 FHAB COc1ccc(CN2CC[C@H](c3nnc(-c4ccccc4OC)o3)C2)cc1 49169984 SVJWSGHWEUYVCC-INIZCTEOSA-N 365.433 3.743 0 40 FHAB biogenic,in-vitro COc1ccc(-c2nnsc2C(=O)N2c3ccccc3C[C@H]2C)cc1 225886493 FXGNSQCDAFOIKX-GFCCVEGCSA-N 351.431 3.805 0 40 FHAB CCOCCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)c(C)n1 225901734 JSTJTVMBISBPDY-UHFFFAOYSA-N 364.486 3.729 0 40 FHAB Cc1ccc(NC(=O)CSc2ncccc2-c2nc(C)no2)c(C)c1 49406980 XZEBAPPHQJPYBD-UHFFFAOYSA-N 354.435 3.788 0 40 FHAB O=C(Cc1cccc(Cl)c1)NCc1nc(-c2ccc(Cl)cc2)no1 223319129 FADNBAIRTWXRPP-UHFFFAOYSA-N 362.216 3.902 0 40 FHAB CCOCCOc1ncc(NC(=O)[C@](C)(CC(C)C)OCC)cc1C 225894453 NYJZLOPWVYXRKQ-IBGZPJMESA-N 352.475 3.585 0 40 FHAB Cc1ccc(NC(=S)NCc2ccc(F)cc2)cc1N1CCCC1=O 225445220 NQGUKLKLEZLXIB-UHFFFAOYSA-N 357.454 3.748 0 40 FHAB CN(C)c1cc(C(F)(F)F)cc(-c2cccc(-c3cc[nH]c(=O)n3)c2)n1 91695776 HARHPEWWQSLQCN-UHFFFAOYSA-N 360.339 3.584 0 40 FHAB O=c1c(=Cc2ccccc2Cl)sc2nc(-c3cccc(Cl)c3)nn12 254630248 DANLHOFFYAIRRH-UHFFFAOYSA-N 374.252 3.673 0 40 FHAB Fc1ccc(CN2CCC(c3ccnc(Nc4cnccn4)c3)CC2)nc1 257236214 HBFKEGJFOAXXPZ-UHFFFAOYSA-N 364.428 3.529 0 40 FHAB Cc1ccc(C(=O)NCC(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)s1 1256609367 GWUPZPCGIUUPIH-QZTJIDSGSA-N 366.486 3.633 0 40 FHAB COc1ccc(O)c(NC(=O)[C@H]2C[C@@H]2c2csc(Br)c2)c1 1615205439 QAZCJCJBFYOLTR-MNOVXSKESA-N 368.252 3.967 0 40 FHAB O=C(Nc1ccc(Oc2ccncc2)c(Cl)c1)[C@H]1CC[C@@H](C2CC2)N1 653115178 GCYQYKUFDLTRKF-DLBZAZTESA-N 357.841 3.996 0 40 FHAB CSc1ccc([C@H](O)CNS(=O)(=O)c2cccc3ccccc23)cc1 96103208 BRGWZOPPFIZVNQ-GOSISDBHSA-N 373.499 3.574 0 40 FHAB Cn1ccc([C@@H]2CCCN(C(=O)c3cc(-c4ccc(F)cc4)c[nH]3)C2)n1 390830037 IJAAFWPJUDJSNV-OAHLLOKOSA-N 352.413 3.574 0 40 FHAB O=C(NC1CCC(O)CC1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 56781907 BGQCFIBWPOKIOD-UHFFFAOYSA-N 357.281 3.971 0 40 FHAB C[C@@H](NCC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1Cl 57336076 DOADEUGJMCVIFW-CYBMUJFWSA-N 371.868 3.522 0 40 FHAB O=C(c1ccncc1)N1CCc2[nH]c3c(Br)cccc3c2C1 55730969 YZDNDBNNHRHPMZ-UHFFFAOYSA-N 356.223 3.524 0 40 FHAB O=C([C@@H]1OCCc2ccccc21)N1CCC(c2ccc3cccnc3n2)CC1 655267132 PABMYGNLZJZDGD-OAQYLSRUSA-N 373.456 3.650 0 40 FHAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2cccnc2)N1c1ccc(F)cc1 1615159158 NTPPQLSLTFIPSI-OALUTQOASA-N 353.441 3.883 0 40 FHAB COc1ccc(CC(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 5474306 VCKAEQJAUWWPEC-UHFFFAOYSA-N 368.216 3.726 0 40 FHAB COc1ccc(OC)c(C2=Nn3c(nnc3-c3ccc(C)cc3)SC2)c1 5563210 WXGXEGCYQPMURB-UHFFFAOYSA-N 366.446 3.629 0 40 FHAB Cc1ccnc(NC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)c1 12522236 VUYPFZOTRTUJJB-UHFFFAOYSA-N 361.401 3.551 0 40 FHAB C[C@H](Nc1ccc(I)cc1)C(=O)NC1CCCCC1 7225021 PWYWFSWVVUJJQH-NSHDSACASA-N 372.250 3.541 0 40 FHAB Cc1cccc(NC(=S)NC2CCN(C(=O)c3ccccc3)CC2)c1C 16705134 MPFLIBRJYGZWJM-UHFFFAOYSA-N 367.518 3.895 0 40 FHAB COc1ccc(-c2nc3ncc(C(=O)Nc4ccc(C)cc4)c(C)n3n2)cc1 17076433 CSJHHWXQSQQPMJ-UHFFFAOYSA-N 373.416 3.669 0 40 FHAB COc1ccc(CN(Cc2ccc3ccccc3n2)C[C@H](C)O)cc1OC 19456003 PPPZPCFNJKUAEN-INIZCTEOSA-N 366.461 3.635 0 40 FHAB COc1ccc(C)cc1/C=C/C(=O)N(C)CC(=O)Nc1c(C)cccc1C 8302662 HDRMENYJUBKRPR-ZRDIBKRKSA-N 366.461 3.731 0 40 FHAB CC[C@@H](C)[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)C(=O)OC 8987885 DFYIURJXERYZEU-DNVCBOLYSA-N 355.434 3.583 0 40 FHAB CN(CC(=O)Nc1cccc(Br)c1)Cc1cccc(F)c1 3335529 AZNDNGJRBTXEIZ-UHFFFAOYSA-N 351.219 3.659 0 40 FHAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2c(F)cccc2Cl)NC(=O)N1 5517307 IUOSOHNNJILZBH-INIZCTEOSA-N 359.788 3.746 0 40 FHAB Cc1ccsc1CN(C)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 24775018 HMPWAAABTWMOPX-UHFFFAOYSA-N 374.481 3.706 0 40 FHAB COC(=O)c1ccc(NC(=O)N2CC[C@@H](c3ccc(OC)cc3)C2)c(C)c1 1321165552 FIVLFNNODACBNL-QGZVFWFLSA-N 368.433 3.812 0 40 FHAB CC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2Cl)nc1C 4079312 ZUWLDPJBSZWFOH-UHFFFAOYSA-N 359.234 3.978 0 40 FHAB CC(=O)N1N=C(C2CC2)C[C@@H]1c1cc2cc3c(cc2nc1Cl)OCCO3 23118782 QGABEIRYJUMNSF-MRXNPFEDSA-N 371.824 3.719 0 40 FHAB Cc1cc(C(=O)NCCCC(=O)Nc2cccc3cccnc23)c(C)o1 49030712 FYGSWUHJHSQENZ-UHFFFAOYSA-N 351.406 3.593 0 40 FHAB COC(=O)c1ccccc1C(=O)N1CCS[C@@H](c2cccs2)CC1 219492042 UBFKDCZSCPBDPR-MRXNPFEDSA-N 361.488 3.855 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)O)CCCC3)cc1 1000339 OUNVWYSIBMTJAE-DHZHZOJOSA-N 357.431 3.986 0 40 FHAB CC(C)COc1ccc(NC(=O)CN2CCCCCC2=O)cc1Cl 30188309 DZENRTHCUJIGPL-UHFFFAOYSA-N 352.862 3.716 0 40 FHAB COc1ccc2oc(C(=O)OCC(=O)N(C)Cc3ccccc3)c(C)c2c1 7777476 FDKHWTMWGXKRMR-UHFFFAOYSA-N 367.401 3.565 0 40 FHAB CCCSc1nnc2[nH]c3c(c(=O)n12)[C@](C)(CC)Cc1ccccc1-3 100999720 ZCNWZIOAMFYZHJ-LJQANCHMSA-N 354.479 3.811 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCc2ccccc21 29110289 SMSOBRFKIYQCFA-WMZOPIPTSA-N 358.482 3.622 0 40 FHAB Cc1ccc2c(c1)[C@]1(S[C@H](C)C(=O)N1c1ccc(Cl)cc1)C(=O)N2 1592908 AXMXQDBPLGTQAW-ZMZPIMSZSA-N 358.850 3.922 0 40 FHAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCN(Cc3ccccc3)CC2)o1 16202659 ZEOKUKKJXKXNLI-DFUXMWMPSA-N 350.462 3.761 0 40 FHAB CC1CCN(CCCNC(=O)N[C@H]2CCSc3ccc(F)cc32)CC1 11641350 JAXZMRAJKMYGCR-KRWDZBQOSA-N 365.518 3.784 0 40 FHAB CC(=O)Nc1ccc(CNC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1 101501608 BREBFJAHOQEMGD-JZFKGDSASA-N 360.885 3.839 0 40 FHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(-c2nccs2)c1 59899147 QSYIIVQVFVESBS-UHFFFAOYSA-N 372.471 3.856 0 40 FHAB COc1cc(NC(=O)c2cc(-c3ccccc3O)on2)c(OC)cc1Cl 4881206 APRRYMJAOYNLCM-UHFFFAOYSA-N 374.780 3.970 0 40 FHAB CC(=O)Nc1cccc(-c2nnc(SCc3ccc(C(=O)O)cc3)o2)c1 7605227 SRXHRTXXLQDERM-UHFFFAOYSA-N 369.402 3.686 0 40 FHAB COC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1-c1ccccc1 8188682 QFEDLNVTHPHHBX-GFCCVEGCSA-N 357.410 3.727 0 40 FHAB Cc1ccc2c(c1)CCCN2C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 32740760 HBYOTMGVDOSENG-UHFFFAOYSA-N 358.482 3.921 0 40 FHAB O=C(NCCOc1ccccc1F)N[C@H](c1ccccc1)c1ccccn1 29728148 FRYUOOCSTMHYRR-HXUWFJFHSA-N 365.408 3.688 0 40 FHAB C[C@H](Sc1nncn1Cc1ccco1)C(=O)c1c[nH]c2ccccc12 32869319 HPNRHVKRJKQGEN-LBPRGKRZSA-N 352.419 3.764 0 40 FHAB COc1ccccc1-n1cnnc1SCC(=O)c1c[nH]c2ccccc12 2627554 VOLKSTFRBLNATD-UHFFFAOYSA-N 364.430 3.732 0 40 FHAB C[C@@H]1Sc2ccc(C(=O)N(C)[C@H]3CCc4ccccc43)cc2NC1=O 32905626 QOJDHIFVRLBKCC-SJCJKPOMSA-N 352.459 3.879 0 40 FHAB COc1ccc(-c2noc(-c3cc4ccccc4oc3=O)n2)c(OC)c1 9431165 NIWUYILGRWYBHB-UHFFFAOYSA-N 350.330 3.527 0 40 FHAB O=C(NCCc1ccccc1)NCc1ccc(COCC(F)(F)F)cc1 9756817 KMLSHENNWUINGA-UHFFFAOYSA-N 366.383 3.807 0 40 FHAB Cc1cc(OCC(=O)NCc2ccc(-n3ccnc3C)cc2)ccc1Cl 20107561 GAQOTZPZIHAEFB-UHFFFAOYSA-N 369.852 3.838 0 40 FHAB C[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1cccc(Br)c1 20025641 UMMBMECJROKTRY-NSHDSACASA-N 362.223 3.711 0 40 FHAB O=c1cc(-c2nn3c(Cc4ccccc4)nnc3s2)c2ccccc2o1 12274157 LMISFVBIFUASTN-UHFFFAOYSA-N 360.398 3.550 0 40 FHAB CC(C)(CN1CCCC1)CN1[C@@H]2CC[C@@H]1CC(O)(c1ccccc1F)C2 100763481 LKHAVFFYQQRAJM-QZTJIDSGSA-N 360.517 3.762 0 40 FHAB C[C@]1(c2c(F)cccc2F)NC(=O)N(Cc2ccc(Cl)s2)C1=O 47356162 DBQGXCOMJBNEGK-OAHLLOKOSA-N 356.781 3.647 0 40 FHAB C[C@@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1ccc(Cl)c(Cl)c1 23792374 XSHVYWYDCQJPIT-SNVBAGLBSA-N 366.248 3.653 0 40 FHAB CC1(C)CC(NC(=O)c2ccc(COCC(F)(F)F)cc2)CC(C)(C)N1 24028111 JCFAIFHLVGLFBJ-UHFFFAOYSA-N 372.431 3.805 0 40 FHAB Cc1cc(NC(=O)C2CCN(C(=O)Nc3ccccc3C(C)C)CC2)no1 43230959 RGKCOQCBALPYFC-UHFFFAOYSA-N 370.453 3.989 0 40 FHAB COC(=O)c1cc(NC(=O)COc2cccc3ccccc23)c(F)cc1F 24837568 YVVFKEUTEKXUEV-UHFFFAOYSA-N 371.339 3.922 0 40 FHAB CCCc1nc2sc3c(SCC(N)=O)ncnc3c2c2c1CCCC2 1306949 XNCAERAOXUXVPR-UHFFFAOYSA-N 372.519 3.648 0 40 FHAB C[C@@H]1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(S)n32)C1 1307496 JNBJTTJQQKGWQM-SNVBAGLBSA-N 368.487 3.508 0 40 FHAB CC(=O)c1ccc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)cc1 25454390 XTDNOUQJRFMJEC-UHFFFAOYSA-N 350.422 3.855 0 40 FHAB CN(Cc1cccc(Cl)c1)C(=O)NCc1ccnc(N2CCCC2)c1 26303424 OGHWUMQJIJHGEY-UHFFFAOYSA-N 358.873 3.677 0 40 FHAB CCOc1cc2c(cc1NS(=O)(=O)c1ccc(C)cc1C)O[C@@H](C)C2 12560640 IJYAZKJNWYCPQL-AWEZNQCLSA-N 361.463 3.826 0 40 FHAB CN(C)C[C@H]1CCCCN1C(=O)COc1ccccc1-c1ccccc1 58175445 KIHAKAZXIDJENP-LJQANCHMSA-N 352.478 3.675 0 40 FHAB Cc1cc(O[C@@H](C)C(=O)NCC2(N(C)C)CCCCC2)ccc1Cl 27581378 YLYLEFVCYOIKHP-HNNXBMFYSA-N 352.906 3.796 0 40 FHAB CC(C)[C@H](Sc1nnc(C2CCCCC2)o1)C(=O)NCc1cccnc1 58225415 GVWDWYOAHITKCY-INIZCTEOSA-N 374.510 3.945 0 40 FHAB COc1cc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)ccc1O 36359259 OUHDGXLDVKHSOI-CQSZACIVSA-N 353.353 3.849 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(=O)c2ccccc2o1 3317658 JKNVGKVPIRAMNU-UHFFFAOYSA-N 371.776 3.550 0 40 FHAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)CN1C[C@@H](C)C[C@H](C)C1 12765163 LDKPHILEGVYYTH-KBPBESRZSA-N 366.527 3.965 0 40 FHAB O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cc2ccccc2[nH]c1=O 12789584 UJJIHXVKPLZFRH-UHFFFAOYSA-N 370.792 3.595 0 40 FHAB CCCc1cc(=O)[nH]c(SCc2nc(-c3ccc(C)c(F)c3)no2)n1 48261207 BRNBHMPVVXEMIC-UHFFFAOYSA-N 360.414 3.512 0 40 FHAB C[C@@H]1CN(Cc2ccccc2CNC(=O)CCc2ccccc2)C[C@@H](C)O1 48358540 PBKPTYQQBBPMDP-RTBURBONSA-N 366.505 3.545 0 40 FHAB COc1cc(CNC(=O)c2cccs2)ccc1OCc1ccncc1 48341724 AHPKOEQRSRFSQS-UHFFFAOYSA-N 354.431 3.661 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 12818322 GRVKJNXXJBGLHC-KZULUSFZSA-N 372.852 3.811 0 40 FHAB C[C@@H](NC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 12867697 ZQMVRCPMBXRFEE-MRXNPFEDSA-N 351.450 3.808 0 40 FHAB CCCN(Cc1ccc(C(=O)OC)cc1)Cc1nc(O)c2sccc2n1 12903114 DRWKHSJQGRQETG-UHFFFAOYSA-N 371.462 3.596 0 40 FHAB C[C@@H](OC(=O)COc1ccc2c(c1)CCC(=O)N2)c1ccccc1Cl 12928656 PTUJTTITIDKLOK-GFCCVEGCSA-N 359.809 3.908 0 40 FHAB O=C(Nc1ccccc1)C1CCN(C(=O)CCc2ccccc2F)CC1 12938865 FKPMAJCTSSNUNP-UHFFFAOYSA-N 354.425 3.636 0 40 FHAB Cc1ccc([C@H](OC(=O)c2ccc(S(C)(=O)=O)cc2)C(F)(F)F)cc1 12993676 LXJHRGRJTZUVSA-HNNXBMFYSA-N 372.364 3.859 0 40 FHAB CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC(C)(C)C)ccc1C 3553753 LVUXONDNHGTYJA-UHFFFAOYSA-N 374.506 3.739 0 40 FHAB C[C@@H](NCc1ccccc1Cl)c1ccc(OCC(=O)NC2CC2)cc1 48744634 XOTFJZBPQRISRX-CQSZACIVSA-N 358.869 3.848 0 40 FHAB CC(C)NC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 4060842 QRBIECXRDIFJCE-UHFFFAOYSA-N 359.266 3.707 0 40 FHAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[C@@H]1C=CCC1 17862773 OOLWUMOLWLEXKF-CYBMUJFWSA-N 365.271 3.511 0 40 FHAB Cn1ccnc1[C@H](NC(=O)/C=C/c1c(F)cccc1F)c1ccccc1F 49617698 LRDOJNYOCCIEFL-JBVUFVISSA-N 371.362 3.756 0 40 FHAB CCCCOc1ccc(CN2C(=O)C(=O)c3cc(C)ccc32)cc1OC 5152242 LQYXGBAKHMXWOA-UHFFFAOYSA-N 353.418 3.912 0 40 FHAB Cc1cccc(Cn2c(CCNC(=O)c3ccco3)nc3ccccc32)c1 4386810 CZIDZZFBZCYNFS-UHFFFAOYSA-N 359.429 3.959 0 40 FHAB COC(=O)[C@H](CCSC)NC(=O)N(C1CCCCC1)C1CCCCC1 5278050 GXVFNNRFINLESM-KRWDZBQOSA-N 370.559 3.958 0 40 FHAB Cc1ccc2c(CSc3nc(-c4ccccc4)cn3N)cc(=O)oc2c1 4406008 KAXZNBMHCFWQRQ-UHFFFAOYSA-N 363.442 3.971 0 40 FHAB O=C(CCNC(=O)Nc1ccccc1)Nc1cccc(Br)c1 14094352 XDLWLSVOOWRGDB-UHFFFAOYSA-N 362.227 3.599 0 40 FHAB Cc1ccccc1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 14111886 QLLHMSRYAYRMMY-UHFFFAOYSA-N 367.474 3.674 0 40 FHAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1ccc(F)c(Cl)c1 8404285 ALKYBTPGUJOUFQ-KRWDZBQOSA-N 365.857 3.888 0 40 FHAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1 14247045 ZJKFDQLHXRXQFS-MEBBXXQBSA-N 353.296 3.752 0 40 FHAB COCCNC(=O)C[C@@H](C)CC(=O)N(c1ccccc1)c1ccccc1 4681992 NOPIXUKCGBYFAA-QGZVFWFLSA-N 354.450 3.530 0 40 FHAB CCCCN1C(=O)[C@](O)(CC(=O)c2ccc(C)cc2C)c2ccccc21 4784343 KCYBJHAPOJVVMR-QFIPXVFZSA-N 351.446 3.911 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2c(=O)[nH]1 18191533 OCQOMHVTWKTHHO-UHFFFAOYSA-N 359.838 3.616 0 40 FHAB CCOc1ccc(NC(=O)CCc2nc(-c3ccccc3F)no2)cc1 4921335 ZGZYEXQHUQQRAS-UHFFFAOYSA-N 355.369 3.846 0 40 FHAB COc1ccc(C(=O)COC(=O)c2csc3c2CCCC3)cc1OC 5935614 ULSDLAFGVUAUGQ-UHFFFAOYSA-N 360.431 3.684 0 40 FHAB O=C1c2ccccc2N[C@@H](c2ccc3c(c2)OCCO3)N1C1CCCC1 8725853 QIQRNEMZSTWQBA-HXUWFJFHSA-N 350.418 3.967 0 40 FHAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCCc1cccc(F)c1 7125699 KJJYEHSBTOOZIS-UHFFFAOYSA-N 373.815 3.821 0 40 FHAB Cc1ccc(C(=O)N2CCC(C)CC2)cc1S(=O)(=O)Nc1ccccc1 409412108 RIRIPGNTNLEILR-UHFFFAOYSA-N 372.490 3.668 0 40 FHAB C[C@H](Nc1cccc(N2CCCCC2)c1)C(=O)NC(=O)NC1CCCCC1 83927606 FHYXSQSTNGCRPG-INIZCTEOSA-N 372.513 3.636 0 40 FHAB COC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc2c1CCN(C)C2 408607484 MPFYROCLCFWDDT-UHFFFAOYSA-N 370.430 3.521 0 40 FHAB COc1ccc(-c2noc(-c3ccnc(OC4CCC4)c3)n2)cc1OC 93888460 PIJYMAPWIHUZCX-UHFFFAOYSA-N 353.378 3.747 0 40 FHAB CC(=O)Nc1cccc(NC(=O)CN(C2CC2)[C@H]2CCc3ccccc32)c1 72580398 KKFSTHPACLZJFX-NRFANRHFSA-N 363.461 3.735 0 40 FHAB CCC[C@H]1CCc2c(sc(=O)n2CC(=O)N2[C@@H](C)CCC[C@H]2C)C1 95959075 HVFMIGBMWIJRNM-ZNMIVQPWSA-N 350.528 3.604 0 40 FHAB c1ccc(CN2C[C@]3(CCN(Cc4cccs4)C3)c3ncccc32)nc1 306123597 ARBWPQFFBRNIPR-OAQYLSRUSA-N 362.502 3.702 0 40 FHAB Cc1nn(Cc2ccc(C(=O)NCc3ccccn3)cc2)c(C)c1Cl 28575663 FOBGHYLBUQMILH-UHFFFAOYSA-N 354.841 3.527 0 40 FHAB O=Cc1cc(Br)c(Sc2n[nH]c(-c3ccccc3)n2)o1 408555667 HWOSOCUHVBUOIS-UHFFFAOYSA-N 350.197 3.791 0 40 FHAB C[C@@H](Nc1ccc(N2CCOC2=O)cc1)c1nnc(-c2ccccc2)o1 79912436 OFAGICLTIKQTLL-CYBMUJFWSA-N 350.378 3.866 0 40 FHAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 408560180 CIRXLIJIJKIKIF-UHFFFAOYSA-N 361.467 3.670 0 40 FHAB C[C@@]1(NC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)CCCc2ccccc21 1519900802 BFENFKOQYLBHRA-TZIWHRDSSA-N 370.399 3.826 0 40 FHAB Cc1nc2ccc(C(=O)NC[C@H](c3ccccc3)N3CCCC3)cc2nc1C 32841491 WXOCLWHTZULALA-JOCHJYFZSA-N 374.488 3.814 0 40 FHAB CC(C)(C)c1nc2cc(NC(=O)CNC(=O)c3cccc(F)c3)ccc2o1 32830459 JOAURVSPKOCPLQ-UHFFFAOYSA-N 369.396 3.633 0 40 FHAB CCOc1ccccc1CCCNC(=O)CCc1ccc(OC)c(OC)c1 30868908 YBBPWNNODOLCDK-UHFFFAOYSA-N 371.477 3.784 0 40 FHAB Cc1nnc([C@H]2CCCN(C(=O)NCc3ccc(Cl)cc3)C2)s1 38666573 RMPQSCFKMAIPGV-ZDUSSCGKSA-N 350.875 3.589 0 40 FHAB CN(Cc1cccc(OC(F)(F)F)c1)c1nnc(-c2ccon2)s1 561261035 OVRKIWNOUBDYDT-UHFFFAOYSA-N 356.329 3.728 0 40 FHAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc2c(c1)OCCO2 39897607 PWHXWDCGIZQSPD-UHFFFAOYSA-N 359.381 3.941 0 40 FHAB COCCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222826018 VCIFLSGISOLFOL-RTBURBONSA-N 372.538 3.527 0 40 FHAB O=C(Cc1ccc(Cl)cc1F)NCc1ccccc1CN1CCCC1 224801631 OYKAKZQQPXVVJV-UHFFFAOYSA-N 360.860 3.934 0 40 FHAB CCN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1ccc(C)cc1 224694821 IXPPBUABLJIVKY-UHFFFAOYSA-N 367.854 3.650 0 40 FHAB COc1ccc(CC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1C 225584255 XOYKVRKMMJVFQX-UHFFFAOYSA-N 366.461 3.811 0 40 FHAB Cc1ccc(-c2nnc([C@H]3CCN(C(=O)NCc4ccccc4)C3)o2)cc1 49170984 OTMDNNFLQZPBJS-SFHVURJKSA-N 362.433 3.744 0 40 FHAB biogenic,in-vitro O=C(Cc1cccs1)N1CCC(c2nnc(-c3ccco3)s2)CC1 49363032 ZDAZCTLLFZIPSI-UHFFFAOYSA-N 359.476 3.808 0 40 FHAB O=C(Nc1cccs1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225735227 RRFITDRLAGHEDK-NSHDSACASA-N 357.357 3.847 0 40 FHAB O=C(O)c1csc(CN2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 581732026 ZVINMCRDTRMKSP-JTQLQIEISA-N 373.261 3.801 0 40 FHAB Cc1ccc(NC(=O)c2ccc3c(c2)N(C)[C@H]2CCCCN2C3=O)cc1C 97944053 OPHDMXBNPGEERA-HXUWFJFHSA-N 363.461 3.958 0 40 FHAB Cc1cccc(N2CC[C@]3(CN(C(=O)NC(C)C)CCC3(F)F)C2)c1 96239550 GWXWHACUGLWDCE-GOSISDBHSA-N 351.441 3.651 0 40 FHAB CC(C)n1ccc2c(NC(=O)Cn3cnc4ccccc4c3=O)cccc21 95477250 XIYTWHHGLAWEMI-UHFFFAOYSA-N 360.417 3.571 0 40 FHAB Cc1cccc(CN2CCC[C@]3(CCN(Cc4csc(C)n4)C3)C2)n1 96071604 ACZLNFRDGIGIFB-FQEVSTJZSA-N 356.539 3.643 0 40 FHAB Cc1ccnc(NC(=O)c2cc(C(C)C)nc(N3CCCCCC3)n2)c1 96192023 VPSMIIYBDUBRPM-UHFFFAOYSA-N 353.470 3.936 0 40 FHAB CC[C@@H](C)[C@H](CO)NC(=O)c1sc(-c2ccc(Cl)cc2)nc1C 98031706 PLSXKYUPFHUZRC-YGRLFVJLSA-N 352.887 3.909 0 40 FHAB Cc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1 244141475 UPOQSAHMQPQBHQ-INIZCTEOSA-N 356.853 3.626 0 40 FHAB CCc1cccc(C)c1NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 243932369 RUKGXPHHKFVAEL-UHFFFAOYSA-N 374.506 3.579 0 40 FHAB Cc1cnc([C@@H]2CCCN(C(=O)Cn3c(C)nc4ccccc43)C2)s1 257275550 NPVWXMVGTAHSEJ-OAHLLOKOSA-N 354.479 3.516 0 40 FHAB Cc1cnc(-c2nnc([C@@H]3CCCCN3C(=O)c3ccccc3C)o2)cn1 257307575 SZHJMFYMDCNJQD-KRWDZBQOSA-N 363.421 3.511 0 40 FHAB Cc1ccnc([C@H]2CCN(Cc3ccccc3OCc3ccccn3)C2)n1 257327207 XALYNQPNANNIGQ-IBGZPJMESA-N 360.461 3.749 0 40 FHAB CCc1c(NC(=O)[C@@H]2CNCc3ccccc32)cnn1-c1ccccc1C 646533566 PMCHZUUZQGVARX-GOSISDBHSA-N 360.461 3.569 0 40 FHAB COC1(C)CN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CC[C@@H](C)C2)C1 1697217257 STZABGUHEIMPGU-NVXWUHKLSA-N 372.488 3.669 0 40 FHAB Brc1cnc(OCC2CCN(Cc3ccccc3)CC2)nc1 1775995665 DGBCAYUETLUHLP-UHFFFAOYSA-N 362.271 3.530 0 40 FHAB COc1ccc2nc(S[C@H](C)C(=O)c3ccc(OC)c(OC)c3)[nH]c2c1 109437155 PDTXHCRMUXOKLJ-LLVKDONJSA-N 372.446 3.952 0 40 FHAB Cc1cc(-c2cccnc2)nn1CCNC(=O)c1ccccc1C(F)(F)F 390826792 PQEIEAOMTVCZCC-UHFFFAOYSA-N 374.366 3.702 0 40 FHAB COc1ccnc(CNC(=O)NC[C@H]2CCC[C@H]2c2ccccc2)c1F 661256837 WKKIQHFZHNZBCI-CVEARBPZSA-N 357.429 3.612 0 40 FHAB CN(Cc1cc(Br)cs1)Cn1nc(C2CC2)n(C)c1=S 48621239 HIBYLNXNOVAOMF-UHFFFAOYSA-N 373.345 3.742 0 40 FHAB Cc1noc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1 56912007 KVEDZAWFZPBEKS-UHFFFAOYSA-N 364.283 3.836 0 40 FHAB CSCC[C@](C)(O)CNC(=O)C1(c2ccc(Cl)cc2)CCCC1 75157522 NWPFAAXFOURXNR-KRWDZBQOSA-N 355.931 3.772 0 40 FHAB CC(C)c1nc(CCNC(=O)N2CCOc3cccc(F)c3C2)cs1 669858398 KUBGFMIYXRZWAH-UHFFFAOYSA-N 363.458 3.552 0 40 FHAB O=C(Cn1ccc2ccccc21)N1CCC(c2ccc3cccnc3n2)CC1 655265904 PHGQWUGJOSTIFJ-UHFFFAOYSA-N 370.456 3.991 0 40 FHAB FC(F)c1cc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)ncn1 1307080102 CQXGORWTECMWSN-UHFFFAOYSA-N 358.314 3.760 0 40 FHAB Cc1ccc(NC(=S)NC(=O)/C=C/c2ccco2)cc1Br 859327 TWXACQADZGVTLT-VOTSOKGWSA-N 365.252 3.877 0 40 FHAB COc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)Cc2cccs2)cc1 12145650 FPHCGUWBMASKJD-GOSISDBHSA-N 367.474 3.679 0 40 FHAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1OCC 13671425 AKKMBDBWOZHLMG-CYBMUJFWSA-N 367.442 3.663 0 40 FHAB CC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]21 13777985 QFKKOOAREIAMNX-UPUJQMMVSA-N 358.235 3.707 0 40 FHAB O=C(N[C@@H]1CCSc2ccccc21)c1ccc(OCC(F)(F)F)nc1 14306278 HMKFGPBVPHVGAN-CYBMUJFWSA-N 368.380 3.990 0 40 FHAB Cc1cccc(OCC(=O)NC[C@H](c2ccc(C)o2)N2CCC(C)CC2)c1 15860302 GXMQJEDPOWIDSD-HXUWFJFHSA-N 370.493 3.865 0 40 FHAB COc1ccc(Cc2cnc(NC(=O)c3ccn(C(F)F)n3)s2)cc1 19555979 SXDWYDHDYJRVMH-UHFFFAOYSA-N 364.377 3.586 0 40 FHAB O=C(Nc1ccccc1C(F)(F)F)c1cnc(-c2ccccc2)[nH]c1=O 19937242 IPWJHRWLZGWHJT-UHFFFAOYSA-N 359.307 3.708 0 40 FHAB Cc1cnn([C@@H]2CCCN(C(=O)c3cnn(-c4ccc(Cl)cc4)c3)C2)c1 109684586 DZYCTSJNTFLRJO-GOSISDBHSA-N 369.856 3.508 0 40 FHAB Fc1cccc(F)c1CN1CCC(Oc2nccc(C(F)(F)F)n2)CC1 1888860423 CKVWRTMAUPWESC-UHFFFAOYSA-N 373.325 3.817 0 40 FHAB CNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2 33870329 DPOQQVBRVLZPIP-SSZFMOIBSA-N 372.424 3.624 0 40 FHAB C[C@@H]1CC[C@H](n2cc([C@H](N[C@H]3C[C@@H](CO)C3)C(F)(F)F)cn2)C[C@H]1C 1775985451 HKIMFACWMYVDFY-BGFNDBNSSA-N 359.436 3.844 0 40 FHAB O=C(COc1ccc(-c2ccccc2)cc1)N1CC[C@@H](Oc2ccccn2)C1 238854389 JUIRUEBBEUOGST-OAQYLSRUSA-N 374.440 3.807 0 40 FHAB C[C@H]1CC[C@@H]2[C@@H](O1)c1ccccc1OC21CCN(Cc2cncn2C)CC1 2037976937 RPIABAOHMHFRAG-SCWSEQNSSA-N 367.493 3.704 0 40 FHAB O=C1N(c2ccccc2)CCCC[C@]12CN(CCc1ccccc1)CCO2 2037981120 VVYRFPVKDUSJMV-QHCPKHFHSA-N 364.489 3.517 0 40 FHAB CC(C)COC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2C)CC1 2056225603 SYWFIOYGXFTMNZ-JQHSSLGASA-N 350.503 3.528 0 40 FHAB CCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(OCC)c1 4189359 FJLYSSCSIJBADY-SFHVURJKSA-N 360.454 3.837 0 40 FHAB CC(C)(C)C(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 5375148 OGHONPJURDXLJH-UHFFFAOYSA-N 372.490 3.813 0 40 FHAB COc1ccc(-c2noc(-c3nnn(-c4ccc(C)c(F)c4)c3C)n2)cc1 7615755 AXODHXPJNRAMDV-UHFFFAOYSA-N 365.368 3.749 0 40 FHAB O=C(NCc1nccnc1-c1cccs1)Nc1nc2c(s1)CCCC2 575621089 USPCNXHLRCUFIF-UHFFFAOYSA-N 371.491 3.862 0 40 FHAB CCCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)ccc1OC 6263784 IANYHQRAMXZNHN-QMMLZNLJSA-N 361.482 3.699 0 40 FHAB biogenic CC(=O)OC[C@@]12CO[C@@H](c3ccc4c(c3)OCO4)[C@@H](C(C)=C[C@H]1C)[C@@H]2C 38549662 OTAZKNLOTKUEQR-ZLVSVKKKSA-N 358.434 3.884 0 40 FHAB biogenic O[C@@H](c1ccccc1)C1CCN(Cc2nc(-c3ccsc3)no2)CC1 40050243 XXSMHPRNYLTZGW-SFHVURJKSA-N 355.463 3.744 0 40 FHAB COc1ccc(F)cc1-c1csc(NC(=O)COc2ccccc2)n1 40111271 IYALETCFVBXPRE-UHFFFAOYSA-N 358.394 3.975 0 40 FHAB CCN1CCN(c2ccccc2NC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 40103969 VKIHTFREMCVFSB-FGTMMUONSA-N 358.530 3.775 0 40 FHAB CNC(=O)c1ccc(NC(=O)c2cccc3c4c([nH]c23)CC[C@H](C)C4)cc1 30719971 ZAPODZYRDDSSCB-ZDUSSCGKSA-N 361.445 3.905 0 40 FHAB COc1ccc(C(=O)Nc2cc(C)nn2-c2ccc(C)cc2)cc1OC 36632715 HFXRWIDETFFPIP-UHFFFAOYSA-N 351.406 3.759 0 40 FHAB COCc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 11361131 AEEQRICFULUUAR-UHFFFAOYSA-N 350.374 3.931 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1ncnc2sc3c(c12)CCC3 780916 MGQZAZUEIIJSFN-YPMHNXCESA-N 361.536 3.967 0 40 FHAB Cc1ccc(C(=O)CCC(=O)OCc2ccc(-n3cccn3)cc2)s1 16670656 JATWXNIKOCAJRG-UHFFFAOYSA-N 354.431 3.949 0 40 FHAB COc1ccc(CC(=O)O[C@H](C)C(=O)c2cc(C)c(C)cc2C)c(OC)c1 36775551 ZWCUNIUCHSDBDE-MRXNPFEDSA-N 370.445 3.986 0 40 FHAB O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)c1ccccc1F 908105 PDPYBPQXCGIPSM-UHFFFAOYSA-N 356.357 3.759 0 40 FHAB O=C(c1cc(N2C(=O)c3ccccc3C2=O)ccc1Cl)N1CCCCC1 1059526 VMRRSXMAWPAKCI-UHFFFAOYSA-N 368.820 3.767 0 40 FHAB CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(C)=O)cc2c1 1366992 UMGMPCITWYGGHP-UHFFFAOYSA-N 364.445 3.518 0 40 FHAB Cc1ccc(OCCCC(=O)Nc2nnc([C@H]3CCCO3)s2)c(C)c1 1903963 OYRSOADWRYBUEB-OAHLLOKOSA-N 361.467 3.804 0 40 FHAB Cc1ccc(C)c(NC(=O)CSc2nc(CNc3ccccc3)n[nH]2)c1 4075382 CDEUOSOUZTZVQD-UHFFFAOYSA-N 367.478 3.764 0 40 FHAB CCOC(=O)CSc1nnc(Cc2ccccc2)n1-c1cccc(C)c1 4358807 NCRWKNCYEHSGQI-UHFFFAOYSA-N 367.474 3.822 0 40 FHAB COC(=O)c1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(c2ccc(C)cc2)C(=O)N1 4852845 UZCUMINIHMVENP-JXFKEZNVSA-N 352.390 3.551 0 40 FHAB Cc1c(Cl)cccc1NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 6902141 RWPYBVIQJPPPBF-UHFFFAOYSA-N 360.885 3.920 0 40 FHAB Cc1ccc2c(CC(=O)N(C)CC(=O)Nc3c(C)cccc3C)coc2c1 8312155 ZYVNHGUYWWBBQK-UHFFFAOYSA-N 364.445 3.998 0 40 FHAB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)N4CCCCCC4)cc3)C(=O)[C@@H]2C1 8471643 CRNGCENUBPXFLT-AYOQOUSVSA-N 368.477 3.628 0 40 FHAB CCc1ccccc1N[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 101276989 QALAIRSCUQNKBM-MRXNPFEDSA-N 373.250 3.756 0 40 FHAB CCN(c1ccc(NC(=O)[C@@H]2CCCN(c3cnccn3)C2)cc1)C(C)C 29821379 OCIFIHXCIKOWBN-QGZVFWFLSA-N 367.497 3.566 0 40 FHAB COc1ccc(-c2csc(NC(=O)c3ccnc(N(C)C)c3)n2)cc1 32913041 JWIHLNCAARUJRC-UHFFFAOYSA-N 354.435 3.532 0 40 FHAB Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccco4)[C@H]3C2=O)c1 102861314 UUGGYUOCROHAJQ-HSALFYBXSA-N 374.396 3.639 0 40 FHAB Cc1ccc(F)cc1NC(=O)CSc1nnc(COc2ccccc2)o1 59200431 DTBNGVXYUAUILK-UHFFFAOYSA-N 373.409 3.827 0 40 FHAB CC(=O)Nc1sc(C)c(C)c1[C@H](c1cccs1)N1CCOCC1 22130811 NSMDTMJTOLUHPO-INIZCTEOSA-N 350.509 3.806 0 40 FHAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1 28497957 WIBISUDOPRWNQO-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB COc1ccc([C@H](CNC(=O)Cc2coc3cc(C)ccc23)N(C)C)cc1 22439083 NMDYNPQKOZNQOA-FQEVSTJZSA-N 366.461 3.711 0 40 FHAB CCn1c(C)cc(C(=O)CSc2cc(C(N)=O)c3ccccc3n2)c1C 22523828 DVVGJKRJHHGCBL-UHFFFAOYSA-N 367.474 3.747 0 40 FHAB NC(=O)Cc1ccccc1NC(=O)CCc1cccc(Cl)c1Cl 58163240 LFNABPGSYVREKO-UHFFFAOYSA-N 351.233 3.593 0 40 FHAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)c1ccccc1 3007775 MSKRBBHGFCQTRQ-TZMCWYRMSA-N 360.816 3.709 0 40 FHAB CSc1cc(C(=O)O)ccc1NS(=O)(=O)c1ccc(C)cc1Cl 55508464 ISDLJZGDYBVCAP-UHFFFAOYSA-N 371.867 3.869 0 40 FHAB O=C(O)c1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 106691386 IBUVJCMQPRELRY-DHDCSXOGSA-N 357.362 3.760 0 40 FHAB CCc1ccc2c(CNc3ccc(NC(C)=O)c(OC)c3)cc(=O)oc2c1 56162715 RHQLROUWPQPQCG-UHFFFAOYSA-N 366.417 3.935 0 40 FHAB O=C(COC(=O)Cc1ccc(F)cc1)Nc1cc(Cl)cc(Cl)c1 3225753 XYCZFRCINYNJKK-UHFFFAOYSA-N 356.180 3.857 0 40 FHAB COc1ccc2nc3c(cc2c1)CN(CCOc1ccccc1)CCO3 57719269 MVDSPUYDYXFGCE-UHFFFAOYSA-N 350.418 3.517 0 40 FHAB O=C(CN1CCc2sccc2[C@H]1c1cccs1)NCc1ccco1 35325915 XRKOYRQFMUPXKE-SFHVURJKSA-N 358.488 3.667 0 40 FHAB Clc1cccc(-c2n[nH]c(Nc3ccc(N4CCOCC4)cc3)n2)c1 20414281 RQORRLOXAIMDCY-UHFFFAOYSA-N 355.829 3.705 0 40 FHAB CC(C)c1ccc(NC(=O)COC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 3230130 HRGYVFOYAGECAQ-ONNFQVAWSA-N 367.401 3.734 0 40 FHAB CC(C)(C)NC(=O)CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 12600229 BZXHJFQGFJZLCO-UHFFFAOYSA-N 368.355 3.610 0 40 FHAB O=C(NC1CCN(C(=O)c2ccc(F)cc2Cl)CC1)C1CCCCC1 58197699 OSQKEPWWKQVAMP-UHFFFAOYSA-N 366.864 3.780 0 40 FHAB O=C(NCc1ccccc1Cn1cccn1)C1(c2ccc(Cl)cc2)CC1 10234753 HZTIBISFNQZMQV-UHFFFAOYSA-N 365.864 3.933 0 40 FHAB CSc1ncc(Br)c(C(=O)Nc2ccc(C)c(C)c2)n1 27741830 MSJXXYVIIFRLNJ-UHFFFAOYSA-N 352.257 3.830 0 40 FHAB COc1cc(OC)cc(-c2nn3c(CCc4ccccc4)nnc3s2)c1 10311879 RDAPESUFLVMTMJ-UHFFFAOYSA-N 366.446 3.655 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)c2cc3cc4c(cc3o2)OCO4)c1C 58365922 YAHNDPTVUJWILV-UHFFFAOYSA-N 355.346 3.514 0 40 FHAB COc1ccccc1NC(=O)c1cc(-c2ccc3c(c2)C[C@@H](C)O3)on1 28286930 NCLHEILOAFYGMK-GFCCVEGCSA-N 350.374 3.926 0 40 FHAB CCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 3355127 SOHDNUIXGZKHGM-LJQANCHMSA-N 356.491 3.546 0 40 FHAB CC(C)(Oc1ccc(F)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 12747944 MLTSKFUHIRZEBM-UHFFFAOYSA-N 356.397 3.749 0 40 FHAB Cc1ccc2nc(C)c(C(=O)NC[C@@H](O)c3cccc(Cl)c3)cc2c1 48234919 FOFOWFDPGWQAKR-LJQANCHMSA-N 354.837 3.968 0 40 FHAB Cc1ccc(OCCNC(=O)c2sc(N3CCCC3)nc2Cl)cc1 48303316 UEENOMZTNSMAAJ-UHFFFAOYSA-N 365.886 3.514 0 40 FHAB COC[C@@H](C)n1c(SCC(=O)c2cccs2)nc2ccccc2c1=O 3403488 PRDHUCVSXMNIAG-GFCCVEGCSA-N 374.487 3.640 0 40 FHAB CC(C)[C@@H](CNC(=O)Nc1cccc(-n2cccn2)c1)N1CCCCCC1 62579945 FQQKFMFKJDQKPX-HXUWFJFHSA-N 369.513 3.894 0 40 FHAB CSc1ccc(/C=C/C(=O)OCC(=O)N2CCc3ccccc32)cc1 6362894 SDKWZGVNOMJOIX-DHZHZOJOSA-N 353.443 3.554 0 40 FHAB COc1ccc(C(=O)/N=c2\[nH]c3ccccc3n2C2CCCCC2)cn1 65477139 NZUVTYAXDRMYMZ-UHFFFAOYSA-N 350.422 3.619 0 40 FHAB CC[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)n1cnc2ccccc2c1=O 5323157 XJGBCOBWHQBGSC-MRXNPFEDSA-N 371.824 3.648 0 40 FHAB C[C@H]1CN(Cn2nc(-c3ccc(Cl)cc3Cl)[nH]c2=S)CCO1 14137965 KXHMFSWVAXQXIL-VIFPVBQESA-N 359.282 3.593 0 40 FHAB Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)N4CCCC4)c(C)c32)c1C 4744360 DBALVMBACUKHMY-UHFFFAOYSA-N 353.418 3.938 0 40 FHAB CCOc1ccc(OCCCC(=O)Nc2cc(OC)cc(OC)c2)cc1 5681841 ZFDIBOIBGDMEOV-UHFFFAOYSA-N 359.422 3.900 0 40 FHAB COc1ccc(-c2nonc2NC(=O)c2ccc(OC)c(Cl)c2)cc1 6747723 GSFSKKIHJMNQHI-UHFFFAOYSA-N 359.769 3.660 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)OCc2nc3ccccc3n2C(F)F)c1C 14901592 LVFSOMMAIYIBCZ-UHFFFAOYSA-N 361.348 3.936 0 40 FHAB CCOc1ccc2nc(SCc3cc(=O)n4cccc(C)c4n3)[nH]c2c1 6975908 HIHNNAHVZRJBLL-UHFFFAOYSA-N 366.446 3.570 0 40 FHAB Cc1ccc(NC(=O)[C@]2(c3ccncc3)CC(=O)N2c2ccc(C)cc2)cc1 15413456 WGCNOPYKYFIHHV-HSZRJFAPSA-N 371.440 3.969 0 40 FHAB CCNc1nnc(SCC(=O)N[C@@H](C)c2cc3ccccc3o2)s1 7248950 YYXDNYDSCVOABT-JTQLQIEISA-N 362.480 3.686 0 40 FHAB C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cnn(C(C)(C)C)c1 68292425 IUCHMGVVECUQGJ-AWEZNQCLSA-N 370.497 3.693 0 40 FHAB O=C(CSc1nnnn1Cc1ccccc1)c1ccc2c(c1)CCCC2 16448123 GNQJSIYVSDBGBY-UHFFFAOYSA-N 364.474 3.575 0 40 FHAB O=C(Oc1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1)c1cccs1 18241077 XQFVIVAAXUBOLX-HUUCEWRRSA-N 355.415 3.647 0 40 FHAB C[C@H]1SCCN(C(=O)Nc2cccc(Cl)c2N2CCOCC2)[C@@H]1C 89920028 BOLGHZIGRQHELJ-CHWSQXEVSA-N 369.918 3.534 0 40 FHAB COc1ccc(NC(=O)c2sc(-c3ccncc3)nc2C)cc1OC 71279990 GYVKLPWYTFAJNE-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB CC(C)c1noc(-c2ccccc2NC(=O)[C@H]2COc3ccccc3O2)n1 96346520 HNEDEKIAXSSLIN-QGZVFWFLSA-N 365.389 3.639 0 40 FHAB COc1c(Cl)cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1Cl 19942923 SFVODPXNBGPMLV-UWVGGRQHSA-N 352.283 3.669 0 40 FHAB COc1ccccc1CNC(=O)c1cccnc1Nc1ccc(F)cc1 22073023 QJSOEQYXKSHZCQ-UHFFFAOYSA-N 351.381 3.903 0 40 FHAB COc1cc(C(=O)NCc2cc(F)cc(F)c2)nc2c(C)cc(F)cc12 72329510 SHLYSPJSDRVZIG-UHFFFAOYSA-N 360.335 3.899 0 40 FHAB COC(=O)[C@@](C)(c1ccccn1)N(C)CCCOc1cccc(Cl)c1 95459802 DWVBSPNOSVTRJD-LJQANCHMSA-N 362.857 3.524 0 40 FHAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1nc(-c2ccccc2)no1 78582274 WGWDQEXLCMCNFV-KRWDZBQOSA-N 365.433 3.827 0 40 FHAB COc1ccc([C@H](C)Nc2cc(Cl)nc(N)n2)cc1Br 79094001 FHSXSGUZDCCWFG-ZETCQYMHSA-N 357.639 3.656 0 40 FHAB C[C@@H]1Sc2ccccc2N(S(=O)(=O)c2cc(C(=O)O)cs2)[C@H]1C 79105859 KSJHSQKNFXNGPZ-UWVGGRQHSA-N 369.489 3.524 0 40 FHAB c1csc(CN2CC[C@@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)c1 306133396 MKGSYRVBGPWLLM-GOSISDBHSA-N 357.504 3.848 0 40 FHAB Fc1cccc(Cl)c1CN1CCN(Cc2nc3ccccc3o2)CC1 20815018 CCFOZBOKOZPLTN-UHFFFAOYSA-N 359.832 3.938 0 40 FHAB CCN(c1ccc(NC(=O)CCNC(=O)/C=C/c2ccco2)cc1)C(C)C 28987962 YPOBMLVUAOOMPQ-VAWYXSNFSA-N 369.465 3.673 0 40 FHAB Cc1ccccc1-n1c(=O)c2sccc2n(Cc2cccc(F)c2)c1=O 67258063 USIJFAJPMUXRLU-UHFFFAOYSA-N 366.417 3.710 0 40 FHAB COc1ccc2c(C)c(CC(=O)Nc3cccc4[nH]ccc34)c(=O)oc2c1 72324614 RZQWONDARLWZFO-UHFFFAOYSA-N 362.385 3.773 0 40 FHAB biogenic Cc1ccc(C(=O)NC2CCN(C(=O)Nc3ccccc3F)CC2)cc1 35311809 XHIXNSQBZBBCMD-UHFFFAOYSA-N 355.413 3.560 0 40 FHAB Cn1c(C(C)(C)C)nc2cc(N[C@@H]3CCCC[C@@H]3S(C)(=O)=O)ccc21 180063010 IXQORAOOLVRZCD-PBHICJAKSA-N 363.527 3.639 0 40 FHAB Cc1ccc(CSCC(=O)NCc2ccccc2-n2ccnc2)cc1 38754622 OSQHFFNQEQTIDI-UHFFFAOYSA-N 351.475 3.730 0 40 FHAB Cc1cc(C(=O)N2CCN=C(O)C[C@H]2c2ccccc2)nn1[C@H](C)C1CC1 329518347 ZIOIQMAGMRMOOR-BEFAXECRSA-N 366.465 3.706 0 40 FHAB Cc1cc(NC(=S)NCCSC(C)(C)C)ccc1N1CCCC1=O 225352360 NBTLBFYJXFNKPR-UHFFFAOYSA-N 365.568 3.940 0 40 FHAB CCOc1ccc(CNC(=O)CCc2ccc(OC)cc2)cc1OCC 225316134 MMEFKEUJNAONJD-UHFFFAOYSA-N 357.450 3.742 0 40 FHAB CC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCC(C)C)c1ccccc1 223336909 AOAHTKDVOPLYFC-OAQYLSRUSA-N 352.478 3.939 0 40 FHAB O=C(Nc1ccc(OCCCN2CCCC2)cc1)C(Cl)(Cl)Cl 225590278 JLCZZYYCFMEKCE-UHFFFAOYSA-N 365.688 3.860 0 40 FHAB COc1cc(C)c(S(=O)(=O)NCCCc2ccccc2Cl)cc1C 223073925 GUCIZSUUMUIHBW-UHFFFAOYSA-N 367.898 3.877 0 40 FHAB Cc1ccc(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)s1 40087481 WFCSZMVUIYCNAC-GJZGRUSLSA-N 358.507 3.596 0 40 FHAB C[C@H](NC(=O)[C@H]1CCCN1C(=O)NC1CCCCC1)c1ccc(F)cc1 47245322 NZMDSYAXCZXNTC-KBXCAEBGSA-N 361.461 3.510 0 40 FHAB COc1ccc(CCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1C 222738144 XEFVOWKLDHZJMS-OAHLLOKOSA-N 355.434 3.585 0 40 FHAB CCc1ccc(O[C@H](CC)C(=O)N2CCN(Cc3ccccc3)CC2)cc1 222877923 MVHGKCVBWZVWAZ-JOCHJYFZSA-N 366.505 3.751 0 40 FHAB CC(C)Oc1ccc(NC(=O)C2(C)COC(c3ccccc3F)OC2)cn1 225920271 PXUAVGDEKCYAGX-UHFFFAOYSA-N 374.412 3.698 0 40 FHAB O=C(Nc1cccnc1)c1cnn(-c2cc(F)cc(F)c2)c1-n1cccc1 49543948 DBPGSRQFDXNDHN-UHFFFAOYSA-N 365.343 3.589 0 40 FHAB COc1cc(CNC(=O)COc2cccc(Cl)c2)ccc1OC(C)C 222767487 IHQJITVLIKHHLK-UHFFFAOYSA-N 363.841 3.831 0 40 FHAB CCOC(=O)c1ccc(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1Cl 225323806 BBOZYZMSICDFBG-UEKVPHQBSA-N 352.887 3.992 0 40 FHAB CC(C)(C)OC(=O)N1CCN(Cc2ccccc2Br)CC1 95912941 SMUACFRAYQYRCB-UHFFFAOYSA-N 355.276 3.502 0 40 FHAB CN(C)C1CCN(c2c(Br)cccc2C(F)(F)F)CC1 95080844 PDBUGXLUQMPJBY-UHFFFAOYSA-N 351.210 3.998 0 40 FHAB O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1ccnn1C1CCCC1 330035612 BVSKAKVHDZJEAA-INIZCTEOSA-N 372.538 3.702 0 40 FHAB CNC(=O)C[C@H]1CC2(CCN(Cc3ccsc3)CC2)c2ccccc21 96052568 LSTBPQRTGSJDGQ-KRWDZBQOSA-N 354.519 3.905 0 40 FHAB CC(C)n1nccc1-c1cnc([C@H]2CCCN(C(=O)C(C)(C)C)C2)cn1 257242116 IBEKCVLHFZBCFH-HNNXBMFYSA-N 355.486 3.673 0 40 FHAB O=C(N[C@H](COCc1ccccc1)c1ccccc1)c1cnc2[nH]cnc2c1 677895788 VEBWKZYARDROJW-HXUWFJFHSA-N 372.428 3.646 0 40 FHAB O=C(Nc1nc(C2CCC2)cs1)N1CCO[C@@H](Cc2ccccc2)C1 568587599 UEBGXZBOZRHMTF-INIZCTEOSA-N 357.479 3.886 0 40 FHAB Cc1ccc(CN2CCC3(CC2)OCC[C@@H]3CCOCc2cccnc2)o1 585105282 SEOPSSLYXLGYBW-FQEVSTJZSA-N 370.493 3.961 0 40 FHAB Cc1ccc(OC[C@]2(O)CCCN(Cc3ccc(O)cc3)CC2)c(C)c1 585272448 IUTOKCFSYFYTCO-QFIPXVFZSA-N 355.478 3.805 0 40 FHAB O=C1CC2(CCN(C(=O)c3cccs3)CC2)CN1Cc1cccc(F)c1 585099724 AQUMFUVGYIYJFI-UHFFFAOYSA-N 372.465 3.542 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)O)cc(C(F)(F)F)c2)s1 52471866 ODTIRNGCWCAKCS-UHFFFAOYSA-N 365.354 3.574 0 40 FHAB COC1(C(=O)Nc2nccc(-c3ccccc3)n2)CCC(C(F)F)CC1 952852450 XTBJWUFNEYQWEW-UHFFFAOYSA-N 361.392 3.923 0 40 FHAB C[C@H]1CCCN(C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)C2CCCC2)C1 12291629 DWGDIURVIOMZOG-HTAPYJJXSA-N 370.537 3.921 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc(Cc3cccs3)n2C)c1 5579976 PQLZTXUCHJGLHC-UHFFFAOYSA-N 358.492 3.507 0 40 FHAB Cc1ccc(N2C(=O)/C(=C/NCc3ccccn3)c3ccccc3C2=O)cc1 5797382 GQMZLCAAAZCTBT-RCCKNPSSSA-N 369.424 3.708 0 40 FHAB CCOC(=O)c1c(N/C=C2/N=C(c3ccccc3)OC2=O)sc(C)c1C 13659801 KWHNCYPZSPQQLI-GXDHUFHOSA-N 370.430 3.799 0 40 FHAB Cc1cc(-c2nccs2)nc(C2CCN(Cc3cccnc3)CC2)n1 19118678 KQFYLYOASXMIOM-UHFFFAOYSA-N 351.479 3.683 0 40 FHAB CCOc1ccc(CNC(=O)[C@H](C)Oc2cccc(OC)c2)cc1OCC 19931953 OLPVRTFLHCWPNY-HNNXBMFYSA-N 373.449 3.576 0 40 FHAB Cc1ccccc1NC(=O)c1nn(-c2ccccc2Cl)c(C)cc1=O 5278106 BAXJPQMZFFGDIC-UHFFFAOYSA-N 353.809 3.755 0 40 FHAB CC(C)(C)c1ccc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1 20976462 YCZQDOTZAPOXPY-UHFFFAOYSA-N 356.466 3.812 0 40 FHAB CC1(C)C[C@@H]2CN(C(=O)CC(F)(F)F)CC[C@@H]2N1c1ccc(F)cc1 2037988718 FXVWDLXGXLSNBF-DOMZBBRYSA-N 358.379 3.984 0 40 FHAB O=C(O)CCCn1cc(NC(=O)C(c2ccccc2)c2ccccc2)cn1 1430667 WZEVYKKKTNZEBF-UHFFFAOYSA-N 363.417 3.519 0 40 FHAB COc1ccc(C)c2sc(N3CCN(C(=O)C4CCCCC4)CC3)nc12 4583549 LBAMUXKXUNVDPG-UHFFFAOYSA-N 373.522 3.842 0 40 FHAB COC(=O)c1ccc(CSc2ncc(CO)n2Cc2ccccc2)cc1 6676908 YZGXIPWOZTVYNP-UHFFFAOYSA-N 368.458 3.503 0 40 FHAB O=C(Cn1cnc2ccccc21)N1CCCC[C@H](c2ccc(F)cc2)C1 207960285 FYKJUJISBGLZCD-KRWDZBQOSA-N 351.425 3.972 0 40 FHAB Cc1cccc(C2=NC3(CCN(Cc4ccc(Cl)cc4)CC3)NC2=O)c1 35430878 USBQRYLJUHHPSL-UHFFFAOYSA-N 367.880 3.560 0 40 FHAB Cn1cc(-c2ncccc2CNC(=O)c2cc3cc(F)ccc3s2)cn1 575617455 BLUJIFKMOSIMDY-UHFFFAOYSA-N 366.421 3.766 0 40 FHAB COc1ccc(S(=O)(=O)N(C)[C@H](C)Cc2ccccc2)c2c1CCCC2 55104352 FQEBFKYTTFMWMH-MRXNPFEDSA-N 373.518 3.826 0 40 FHAB CN(C(=O)NC[C@@H]1COc2ccccc2O1)[C@@H]1CCCc2ccccc21 30988423 YVXOURQHEHZUAF-SJLPKXTDSA-N 352.434 3.545 0 40 FHAB CC(C)C[C@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc12)C(=O)O 40310251 JEQQZJHZNLUVDH-IBGZPJMESA-N 363.417 3.526 0 40 FHAB biogenic CNC(=O)NC(=O)[C@@H](Sc1cc(C)c2ccccc2n1)c1ccccc1 8344361 XIXTYNJFVNILJR-SFHVURJKSA-N 365.458 3.832 0 40 FHAB COC(=O)c1ccc(CSc2nnc3c(n2)[nH]c2ccccc23)cc1 2503764 KXWVTMMCWKUNBV-UHFFFAOYSA-N 350.403 3.585 0 40 FHAB O=C(CSc1nnc2ccc3ccccc3n12)Nc1ccccc1F 1125049 URKQMZJSFBISRO-UHFFFAOYSA-N 352.394 3.752 0 40 FHAB COc1ccc(CN(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C(C)=O)cc1 1366574 HWNGZYQFDRCGFK-UHFFFAOYSA-N 364.445 3.702 0 40 FHAB O=C(CSc1nc2ccsc2c(=O)[nH]1)Nc1ccc(F)cc1Cl 51317229 RXMMHCMZLOEDFS-UHFFFAOYSA-N 369.830 3.508 0 40 FHAB O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1ccc2c(c1)OCO2 51364472 FULCAQINXVXJGF-MRXNPFEDSA-N 374.396 3.574 0 40 FHAB COc1ccc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)cnc3c2)cc1 32101714 PZFDZUZZCQHHHB-UHFFFAOYSA-N 371.396 3.647 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1ccc(Cl)s1 4242817 WGOJEWXCFDTVFC-GFCCVEGCSA-N 351.855 3.696 0 40 FHAB O=C(CSc1nc(C2CC2)nc2sc3c(c12)CCCC3)NC1CC1 4888844 FIVBZFLOTHDKGN-UHFFFAOYSA-N 359.520 3.818 0 40 FHAB COc1cccc(CN(C)C(=O)c2cc(Cl)c3c(c2)OCCCO3)c1 20916508 XXIMJLHKBZNWLJ-UHFFFAOYSA-N 361.825 3.782 0 40 FHAB Cc1ccc(OCC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c(C)c1 11745185 DXALXXMHKSYTEN-UHFFFAOYSA-N 352.434 3.756 0 40 FHAB Cc1nnc(S/C(=C/c2cc(Cl)ccc2OC(C)C)C(=O)O)[nH]1 6588203 FSDBSYKFVVVUAA-NTUHNPAUSA-N 353.831 3.772 0 40 FHAB CCCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 6597276 BOWDBYWAVWJEAF-UHFFFAOYSA-N 374.506 3.740 0 40 FHAB O=C(COc1ccccc1Cl)N1CCCC[C@@H]1CCN1CCCCC1 21148652 ADBXCDZKAHPWCX-QGZVFWFLSA-N 364.917 3.976 0 40 FHAB CCCS(=O)(=O)c1ccccc1C(=O)Nc1cccc([C@@H](C)OC)c1 72087216 OZSMIKYYADJZEN-CQSZACIVSA-N 361.463 3.830 0 40 FHAB COCCNCc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 8469155 DRGOPRYSOIQNJP-UHFFFAOYSA-N 353.821 3.803 0 40 FHAB COC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 8471302 ZPCBAUXPGAODPF-UHFFFAOYSA-N 374.396 3.978 0 40 FHAB Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)n1 32937567 PFTMAVSMBWXITF-UHFFFAOYSA-N 366.808 3.943 0 40 FHAB CC(C)(C)NN/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21 33014698 FLNSXSOQINPJOG-NTCAYCPXSA-N 369.852 3.761 0 40 FHAB CCOC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1 9062096 QAWVKVULSPVTSE-UHFFFAOYSA-N 352.350 3.557 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(Oc3cnccn3)c2)c1C 33136386 UVJKKVUTXNANIB-UHFFFAOYSA-N 350.378 3.669 0 40 FHAB Cc1ccc(S[C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 639881 AIVLVRMKCVXCKT-INIZCTEOSA-N 358.482 3.964 0 40 FHAB Cc1ccc(N2N=C3CCCN4C(=O)c5ccccc5NC4=C3C2=N)cc1 33537352 STPVIKCFKFFWIO-UHFFFAOYSA-N 357.417 3.722 0 40 FHAB C[C@@H](CC(=O)Nc1ccccc1)NC[C@H](c1ccco1)N1CCCCC1 22800206 MWXLFVMZSCMTSG-PKOBYXMFSA-N 355.482 3.814 0 40 FHAB C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(Br)o2)C1 54226376 YSMCVUZUDHAAQP-JSGCOSHPSA-N 363.255 3.607 0 40 FHAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2F)cc1 24432921 KWEULDRMIHMCPI-UHFFFAOYSA-N 351.399 3.622 0 40 FHAB O=C(Nc1nnc(-c2cccnc2)s1)c1ccc(Br)cc1 1265959 LOMOQGLHBQJCAB-UHFFFAOYSA-N 361.224 3.615 0 40 FHAB C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 108287547 LIOFXFTVHUGPMJ-KNBMTAEXSA-N 356.466 3.806 0 40 FHAB Cc1cc(=O)n(CC(=O)Nc2ccc(Cl)cc2)c(-c2ccccc2)n1 57526463 PZLQIIKNQCSTHO-UHFFFAOYSA-N 353.809 3.511 0 40 FHAB Cc1ccccc1Nc1nc(N)nc(CN2CCC[C@H]2c2cccs2)n1 57903157 RSWDBWVZMZILSH-HNNXBMFYSA-N 366.494 3.904 0 40 FHAB CCC(CC)NC(=O)C1CCN(Cc2coc(-c3ccccc3)n2)CC1 58162194 XPQIBZHDOCDZLT-UHFFFAOYSA-N 355.482 3.858 0 40 FHAB COc1ccc(-c2cc(=O)oc3c(C)c(O[C@H](C)C(=O)O)ccc23)cc1 2114862 YWJDOKHHRVZPLV-GFCCVEGCSA-N 354.358 3.629 0 40 FHAB biogenic O=C(NC1CCCCCCC1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 58368746 SOAKGMFPVPKLGL-ZDUSSCGKSA-N 350.409 3.547 0 40 FHAB C[C@@H]1CCCN(C(=O)CSc2nnc(NC3CCCCC3)s2)C1 3316419 LENWCLSDFRMTKQ-GFCCVEGCSA-N 354.545 3.633 0 40 FHAB Cc1cc(NC(=O)c2ccc3ccccc3c2)nc2nc(C(F)(F)F)nn12 10765636 HLEOKWRUIAXENN-UHFFFAOYSA-N 371.322 3.857 0 40 FHAB Cc1cc(C(=O)OCC(=O)Nc2cc(F)ccc2F)c2ccccc2n1 3366635 PZOYANQXVIZHIN-UHFFFAOYSA-N 356.328 3.617 0 40 FHAB CCOC(=O)c1sc(=S)n(CC)c1NC(=O)c1ccc(OC)cc1 2314481 ZGQNTPWVMPZOKN-UHFFFAOYSA-N 366.464 3.737 0 40 FHAB COc1cccc(NC(=O)[C@@H](Sc2nnc(N)s2)c2ccccc2)c1 3336939 NQQICRACKSSFSW-AWEZNQCLSA-N 372.475 3.601 0 40 FHAB CNc1nc(SCC(=O)N2CCC[C@H]3CCCC[C@@H]32)nc2ccccc12 12758667 OKOIKNASJQEYFS-PBHICJAKSA-N 370.522 3.945 0 40 FHAB COc1ccc(Cl)cc1NC(=O)CCCNC(=O)c1ccsc1 12747889 XPLNTVDNPMVMHU-UHFFFAOYSA-N 352.843 3.559 0 40 FHAB O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1ccccc1 12789485 SBBFOCOQFAVLIH-UHFFFAOYSA-N 352.434 3.799 0 40 FHAB O=C(NC1CC1)c1cccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c1 12876843 WWHUFSRXNYDRQK-UHFFFAOYSA-N 354.837 3.903 0 40 FHAB O=C(CCSc1ccc(F)cc1)Nc1cccc(C(=O)NC2CC2)c1 12885151 BSQKMIAXALDLCT-UHFFFAOYSA-N 358.438 3.839 0 40 FHAB CCOc1ncccc1C(=O)Nc1nc2c(s1)CCc1ccccc1-2 3433299 MVCANCYOTCBGGK-UHFFFAOYSA-N 351.431 3.955 0 40 FHAB O=C(Cc1ccccc1)NCC(=O)Nc1ccc(Oc2ccccc2)cc1 3406941 BHNYBOMHWDMQDJ-UHFFFAOYSA-N 360.413 3.776 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)COc1ccc(F)c2c1C(=O)C[C@H]2C 12904008 JZKDQOMYSJJDKV-OLZOCXBDSA-N 371.408 3.780 0 40 FHAB CS(=O)(=O)Cc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1 63982896 DBKXDUZTVFKIQZ-UHFFFAOYSA-N 363.504 3.814 0 40 FHAB CCC[C@H](C)NC(=O)Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O 6115241 MACFTSWLAADYDQ-ZDUSSCGKSA-N 369.490 3.738 0 40 FHAB O=C(CSc1ncc(-c2ccc(F)cc2)o1)NC(=O)c1ccccc1 8707614 QSRDHMUVGVJKPQ-UHFFFAOYSA-N 356.378 3.529 0 40 FHAB Cc1nccc(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)n1 65474909 NAFJYXLHIIXPSP-UHFFFAOYSA-N 350.447 3.662 0 40 FHAB Cc1ccc(-n2c(C)nnc2SCC(=O)N(C)c2ccccc2)cc1 8709371 JAQBYOFLKHJFPO-UHFFFAOYSA-N 352.463 3.639 0 40 FHAB Cc1csc(=O)n1CCSc1nnc(-c2cccs2)n1C1CC1 14157811 ORSQNOFGXLKKJM-UHFFFAOYSA-N 364.521 3.665 0 40 FHAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1Cl)c1ccco1 6583591 WTCBVCPVVYHMMC-QGZVFWFLSA-N 368.820 3.913 0 40 FHAB O=C1N[C@@H](c2cccc(OCCOc3ccccc3)c2)Nc2ccccc21 66132836 UOQVJQIWUKQQGT-NRFANRHFSA-N 360.413 3.999 0 40 FHAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(N2CCCCC2)cc1 4902266 SNVYWGYGZCBWBK-UHFFFAOYSA-N 352.434 3.629 0 40 FHAB Cc1cccc(OCc2nn(CC(=O)Nc3ccc(F)cc3)c(=S)o2)c1 409151976 DBYGCACQGCBVQB-UHFFFAOYSA-N 373.409 3.871 0 40 FHAB COc1cc(NC(=O)CCc2ccc3c(c2)OCO3)c(OC)cc1Cl 8980565 FBBQHVKCEWPRIE-UHFFFAOYSA-N 363.797 3.657 0 40 FHAB Cc1sc(NC(=O)C2CC2)c(C(=O)OCC(=O)c2cccs2)c1C 7282906 PLFKORSHENVTPG-UHFFFAOYSA-N 363.460 3.815 0 40 FHAB C[C@H](Sc1nnc(-c2ccccc2F)n1C)C(=O)NC1CCCCC1 7235827 BLHFTYPMMFXFQS-LBPRGKRZSA-N 362.474 3.551 0 40 FHAB Clc1ccc(/C=C/CNCCSc2nnnn2-c2ccccc2)cc1 7541300 DNTXXAVHYXNHFD-SNAWJCMRSA-N 371.897 3.711 0 40 FHAB c1ccc(-n2nnnc2SCCNCc2cccc3ccccc23)cc1 7540249 JAPSMJRAZPWDNR-UHFFFAOYSA-N 361.474 3.697 0 40 FHAB CCCN(CC(=O)Nc1c(C)cccc1C)Cc1nnc(-c2ccco2)o1 8242836 MCBHMIYAAIBDQL-UHFFFAOYSA-N 368.437 3.797 0 40 FHAB CC[C@@H](Sc1nnc(C)n1-c1ccc(C)cc1)C(=O)Nc1cc(C)on1 9368086 GPNNXGMUBLECQW-OAHLLOKOSA-N 371.466 3.690 0 40 FHAB COc1ccc(CN(C)C(=O)Nc2ccc(C)c(NC(C)=O)c2C)cc1O 84147805 ODGSOXKOCQITLT-UHFFFAOYSA-N 371.437 3.640 0 40 FHAB COc1ccc(-c2ccnc3nc(Cc4ccc(F)cc4)nn23)cc1OC 95476598 ZNCMGVQOIOMEFL-UHFFFAOYSA-N 364.380 3.538 0 40 FHAB CC[C@H](Oc1cccc(C)c1)C(=O)N(C)Cc1nc(-c2cccs2)no1 95482362 NOCGUNSJTZPUPM-HNNXBMFYSA-N 371.462 3.923 0 40 FHAB CCCOc1ccc(CCC(=O)Nc2cccc(-c3noc(O)n3)c2)cc1 79943660 SEBWPQRIVVWAOE-UHFFFAOYSA-N 367.405 3.802 0 40 FHAB C[C@H]1Cc2cc(-c3cc(C(=O)Nc4ccc(Cl)cn4)no3)ccc2O1 28251666 GTOIHDLANQYKCI-JTQLQIEISA-N 355.781 3.966 0 40 FHAB CCOc1nc2ccccc2nc1C(=O)Nc1nc2ccccc2s1 407947178 VLVQMVLFDAGFNM-UHFFFAOYSA-N 350.403 3.891 0 40 FHAB C[C@H]1CCCC[C@@H]1OCCNC(=O)NCc1ccccc1OC(F)(F)F 503150006 LVAGTGYYLRFMKN-ZFWWWQNUSA-N 374.403 3.980 0 40 FHAB Cc1sccc1CNc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 550218332 IXRICJIGLMMIFU-UHFFFAOYSA-N 370.522 3.849 0 40 FHAB CC(C)COc1ccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)cc1 408707804 FCVRQVJRNSYHKC-UHFFFAOYSA-N 374.868 3.672 0 40 FHAB Cn1c(COc2cccc3ccccc23)nnc1SCCN1CCCC1 35311077 OTEAIQXLCGKPOV-UHFFFAOYSA-N 368.506 3.735 0 40 FHAB O=S(=O)(NCc1cccc(COCc2ccccc2)c1)c1ccccc1 32441996 MTSSCBIWZGYIHF-UHFFFAOYSA-N 367.470 3.882 0 40 FHAB COc1ccc2[nH]c(C(=O)N(C)C[C@H]3CCCN4CCCC[C@@H]34)c(C)c2c1 1565519211 VCKSGUBHYBXYPS-UZLBHIALSA-N 369.509 3.821 0 40 FHAB biogenic Cc1cnn(CC(=O)N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)c1 74072302 JCCIZVAHISHQNQ-QGZVFWFLSA-N 365.481 3.528 0 40 FHAB CCCOc1c(Cl)cc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1OCC 48323940 WLJSSEJZVOPOJU-BETUJISGSA-N 355.862 3.777 0 40 FHAB CSc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1NC(C)=O 224361903 DJUCQYOWGQFJGN-UHFFFAOYSA-N 370.540 3.758 0 40 FHAB CO[C@@](C)(C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1)C1CC1 225643995 DOECGXLOFRJRNQ-DRSNIGMVSA-N 374.525 3.797 0 40 FHAB COc1ccc(C)cc1NS(=O)(=O)c1cc2c(cc1OC)CCCC2 225421196 LNJGCMLGIBSIDF-UHFFFAOYSA-N 361.463 3.692 0 40 FHAB Cc1ccccc1-c1noc(CN(C)C(=O)Cc2ccccc2Cl)n1 225443390 ICNAJQMDBMNWAO-UHFFFAOYSA-N 355.825 3.900 0 40 FHAB COc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(F)c(F)c1 225786943 MZENTGMWFZWHDZ-NSHDSACASA-N 352.406 3.727 0 40 FHAB O=C(NCc1ccncc1OCC(F)(F)F)c1cc[nH]c1C1CCC1 585084076 ZFTNXGKOPLTDRK-UHFFFAOYSA-N 353.344 3.548 0 40 FHAB Cc1cnc(Nc2nccnc2[C@H]2CCCN(Cc3cncs3)C2)s1 257235829 GZRUFIOIFWPSOY-ZDUSSCGKSA-N 372.523 3.821 0 40 FHAB CCCNC(=O)c1sc2nc(C(F)(F)F)c3c(c2c1N)CCCC3 257173563 QUISTBGATPWCBK-UHFFFAOYSA-N 357.401 3.916 0 40 FHAB C[C@@H](O)C[C@@H]1CCCCCN1C(=O)c1ccc(Nc2cccnc2)cc1 614721092 GSDCYOBAKTYJOQ-UZLBHIALSA-N 353.466 3.981 0 40 FHAB O=C(N[C@H]1CC[C@H](O)CC1)N1CCC(CCc2ccc(F)cc2F)CC1 654505087 JNQSOVOTQHRVPI-IYARVYRRSA-N 366.452 3.623 0 40 FHAB CO[C@H]1CCN(c2ccc(NC(=O)CSc3ccc(F)cc3)cc2)C1 96122222 ZBWGERHIMQLPMN-KRWDZBQOSA-N 360.454 3.782 0 40 FHAB Cc1cscc1C(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 674088032 KLDLIOYHZUSZRK-UHFFFAOYSA-N 352.463 3.861 0 40 FHAB C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2csc(-c3ccco3)n2)C1 65140502 QKBIGEZFKKKZGH-GOEBONIOSA-N 367.474 3.968 0 40 FHAB CCN(CC)c1ccc2cc(-c3nnc(-c4ccco4)o3)c(=O)oc2c1 952963743 YYLQLGRISPLYFA-UHFFFAOYSA-N 351.362 3.949 0 40 FHAB Cc1cc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2n1 5356621 KMOXNHISFAWTLR-JCKWVBRZSA-N 354.450 3.783 0 40 FHAB CC(C)Oc1cccc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2ccccn2)c1 12135205 HXWJOPNZFXDJOE-DETIRCLXSA-N 366.505 3.989 0 40 FHAB Cc1sc(NC(=O)[C@@]2(C)CCCO2)nc1-c1cc2ccccc2oc1=O 12191880 LRYQJCQWYAIJOA-LJQANCHMSA-N 370.430 3.733 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)c1 13995917 HUTQFPWABUAJAQ-INIZCTEOSA-N 352.434 3.637 0 40 FHAB Cc1c(C(=O)N2CCN(c3ccccn3)CC2)oc2ccc(Cl)cc12 16638418 OODSNWFTOYAPBB-UHFFFAOYSA-N 355.825 3.752 0 40 FHAB Cc1cc(-c2c[nH]nc2[C@@H]2CCCCN2C(=O)Cc2ccccc2F)on1 19120867 HXDKCZWBQYWDSG-KRWDZBQOSA-N 368.412 3.809 0 40 FHAB CCn1c(CN2[C@H]3CC[C@@H]2c2cnc4cc(C)nn4c2C3)nc2ccccc21 19524291 FCHZCNIJDSDRJY-MAUKXSAKSA-N 372.476 3.669 0 40 FHAB COc1cccc(OCCc2nnc(NC(=O)C3[C@H]4CCCC[C@@H]34)s2)c1 19565974 LQILKOKJXSEELU-FKEKPDDDSA-N 373.478 3.543 0 40 FHAB CCc1cc(C(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)c2c(C)noc2n1 19714514 KXDFKKUCNHTBDC-LJQANCHMSA-N 365.433 3.983 0 40 FHAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@@H]3C)CC2)n1 100148350 FZXWDHRNGGDASN-DZJNRPSUSA-N 364.493 3.893 0 40 FHAB COc1cccc([C@H](C(=O)O)N2CC[C@@H](Oc3ccccc3Cl)C2)c1 634691690 MNSMBQIODOKYFI-CRAIPNDOSA-N 361.825 3.628 0 40 FHAB O=C1COc2cc(NC(=O)c3cc(F)c(F)cc3Cl)c(Cl)cc2N1 24570456 FNBZKTQPRMNEKZ-UHFFFAOYSA-N 373.142 3.855 0 40 FHAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)CN2CCCCC2)[C@H]3CCC1 1422575 GSHKTTHBEVRVCK-FQEVSTJZSA-N 351.494 3.655 0 40 FHAB CC(=O)N(C)Cc1nc2ccccc2n1CCCOc1cccc(C)c1 7425419 QUJHCIWHLLIKJX-UHFFFAOYSA-N 351.450 3.792 0 40 FHAB CN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc21 17112921 PTZXCJRXTVPJPM-UHFFFAOYSA-N 372.490 3.694 0 40 FHAB CCCOc1ccc([C@H](O)[C@@H](CN2CCOCC2)c2ccccc2)cc1 20790170 TVWLDXUMIAMJBJ-VXKWHMMOSA-N 355.478 3.625 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)cc1 8715851 YXCVVWLFBLZOJN-UHFFFAOYSA-N 352.415 3.539 0 40 FHAB O=C(NCc1ccc(-n2cccn2)cc1)c1csc(-c2ccco2)n1 45747233 IDTUOJHIXYEJIY-UHFFFAOYSA-N 350.403 3.519 0 40 FHAB COc1ccc(-c2csc(CC(=O)NCc3ccccc3)n2)cc1OC 8103143 CWVDUMPFYKQRFE-UHFFFAOYSA-N 368.458 3.686 0 40 FHAB COc1ccc(C)cc1[C@@H](C)NC(=O)C[C@@H]1Sc2ccccc2NC1=O 8128825 OUKKJWWGDULRPM-ACJLOTCBSA-N 370.474 3.684 0 40 FHAB Cc1nc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)sc1C 922346 MMQMOCOKODTDEF-UHFFFAOYSA-N 364.427 3.680 0 40 FHAB C[C@H](OC(=O)c1ccccc1Br)C(=O)Nc1ccc(F)cc1 1923209 PCOQFJMIIUEDSL-JTQLQIEISA-N 366.186 3.772 0 40 FHAB CCOc1ccccc1C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1 4160878 CYGLATVAIHIMBA-UHFFFAOYSA-N 369.402 3.585 0 40 FHAB COc1cc2c(cc1OC)-c1c(c(C(=O)O)nn1-c1ccccc1Cl)C2 20738734 AUBXIINRQFLZKR-UHFFFAOYSA-N 370.792 3.812 0 40 FHAB O=C(Nc1nonc1-c1ccccc1)C1=C(c2ccccc2)SCCO1 20746106 YYZKWCUVOQALJV-UHFFFAOYSA-N 365.414 3.807 0 40 FHAB COc1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCO4)n2)cc1 6582314 UIAUXLWXPRNWBR-UHFFFAOYSA-N 354.387 3.800 0 40 FHAB Cc1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)c(Br)c1 7062182 AUIZHNOKEDVQEI-UHFFFAOYSA-N 362.223 3.710 0 40 FHAB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ccc(F)c(F)c1F 7577594 SSNLMIXOURJNAT-LURJTMIESA-N 374.413 3.649 0 40 FHAB O=C(NC(=S)Nc1c(Cl)ccc2nsnc12)c1cccs1 8071883 AIEKDYDHEJJAOX-UHFFFAOYSA-N 354.869 3.533 0 40 FHAB Cc1ccc(-n2c(C)nnc2SCC(=O)N(C)Cc2ccccc2)cc1 8090628 WFGMMVSLLBDOQS-UHFFFAOYSA-N 366.490 3.635 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)c(C)c1 8481184 ITKCIZQQOOMOOV-KRWDZBQOSA-N 366.461 3.945 0 40 FHAB C[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)OCCCO2)n1cnc2ccccc21 32744227 FFNPGTRLWILBID-CABCVRRESA-N 365.433 3.636 0 40 FHAB O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC(c2ccc(O)cc2)CC1 32893005 KTQWDTIYMHKYQU-LJQANCHMSA-N 357.837 3.755 0 40 FHAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccco4)[C@H]3C2=O)cc1 100566586 NWAYJQLHBBIFSC-AQNXPRMDSA-N 374.396 3.639 0 40 FHAB O=C1O[C@H]2[C@H](O1)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 104260715 FWSCOSIFECICKP-VEVTUDRCSA-N 358.819 3.736 0 40 FHAB Cc1cccc(OC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)c1 102592491 YTXHRSXBOLGMOD-FVCZOJIISA-N 373.408 3.526 0 40 FHAB CCCOc1ccc(-c2nonc2NC(=O)COc2ccccc2)cc1 12062643 UHQQCIQSTSJEPJ-UHFFFAOYSA-N 353.378 3.543 0 40 FHAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)O)[C@@H]1c1ccc(OC)cc1 101291603 RXFHEIFPGNOEKV-AGRHKRQWSA-N 353.418 3.859 0 40 FHAB CCCNC(=O)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 2725465 ABRNYVJXEXRKBM-UHFFFAOYSA-N 359.131 3.690 0 40 FHAB C[C@H](Nc1cc(C(=O)N2CCOCC2)c2ccccc2n1)c1cccs1 53214728 TYTNLDLPKKEONL-AWEZNQCLSA-N 367.474 3.942 0 40 FHAB CC(C)n1cc(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc21 683620 UDXRSVRZILSVGK-ODLFYWEKSA-N 359.454 3.993 0 40 FHAB CC[C@H](c1nnnn1C1CCCC1)N1CCN(c2cccc(C)c2C)CC1 57669546 MFBJMXPLOUBIIG-LJQANCHMSA-N 368.529 3.678 0 40 FHAB O=C1N(Cc2ccncc2)c2ccccc2C12CCN(Cc1ccco1)CC2 109759535 YMEWCCHUESRKBD-UHFFFAOYSA-N 373.456 3.755 0 40 FHAB COc1cc(C=O)ccc1Oc1cnn(-c2ccc(C)cc2)c(=O)c1Cl 12394249 IFMXQDMQSJODGQ-UHFFFAOYSA-N 370.792 3.808 0 40 FHAB CC1CCN(c2ccc(NC(=O)[C@@H](C)NC(=O)c3cccs3)cc2)CC1 54320422 WGMXCOMFOQXSBH-OAHLLOKOSA-N 371.506 3.741 0 40 FHAB O=c1cc(CN2CCCc3cc(C(F)(F)F)ccc32)nc2ccccn12 47405669 WIGQRJUTJRAFHB-UHFFFAOYSA-N 359.351 3.666 0 40 FHAB Cc1ccc(Oc2ccc(OCC(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 3174731 IVALCPPALQFSIU-IAGOWNOFSA-N 355.434 3.802 0 40 FHAB COc1cc(/C=C2/NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1O 105556616 BFXGDWBRKLIRGQ-VGOFMYFVSA-N 374.849 3.625 0 40 FHAB CCC(C)(C)NC(=O)c1ccc(NCc2nc(-c3ccco3)no2)cc1 55879183 VGKOXOPFKZCVIG-UHFFFAOYSA-N 354.410 3.860 0 40 FHAB CC(C)(C(=O)N1CCN(C(=O)c2ccccc2Cl)CC1)c1ccccc1 29370375 NFJAKYLAWFQUAY-UHFFFAOYSA-N 370.880 3.602 0 40 FHAB CC(=O)N1CCN(Cc2ccc(C(=O)OC3CCCCCCC3)cc2)CC1 58130110 PQWHJYBLLTUYNF-UHFFFAOYSA-N 372.509 3.620 0 40 FHAB CCOC(=O)c1ccc(NC(=S)Nc2ccc(NC(C)=O)cc2)cc1 3296378 JGCVXGSXMKMTPP-UHFFFAOYSA-N 357.435 3.631 0 40 FHAB CCOc1ccc(NC(=O)COC(=O)c2cnc(Cl)c(Cl)c2)cc1 3239043 LOYVDNBZOXZNML-UHFFFAOYSA-N 369.204 3.583 0 40 FHAB COc1cccc(N2C[C@@H](C(=O)Nc3c(C)cc(C)cc3C)CC2=O)c1 8247923 GVDGZCIUNZBLNA-INIZCTEOSA-N 352.434 3.612 0 40 FHAB Cc1onc(-c2ccccc2)c1-c1nnc(CSc2ncccn2)o1 8266646 ORBHWIZMSBSKKI-UHFFFAOYSA-N 351.391 3.782 0 40 FHAB COc1cc(OC)c(C(=O)OCc2ccc(F)cc2Cl)cc1OC 3344175 FEXUYYDHLIKUHC-UHFFFAOYSA-N 354.761 3.862 0 40 FHAB O=C(Nc1cccc(F)c1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12777827 JPCMHNDJILEKAR-UHFFFAOYSA-N 365.408 3.904 0 40 FHAB COc1ncccc1CNC(=O)c1ccc(-c2nc3ccccc3s2)o1 48265125 ZEUPRZZUGVEYGG-UHFFFAOYSA-N 365.414 3.890 0 40 FHAB Cc1nc(SCC(=O)N(C)Cc2ccco2)c2c(C)c(C)sc2n1 3419973 MREINKUEFKZHBN-UHFFFAOYSA-N 361.492 3.960 0 40 FHAB CC(C)CCNC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2 3481913 ORSMOASQWDDKMD-OAHLLOKOSA-N 368.477 3.679 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)CN2CCc3sccc3[C@@H]2C)c1 12912868 ICFAJLMCRGTFSB-KBPBESRZSA-N 374.506 3.562 0 40 FHAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@H]1CCN2CCCC[C@H]12 69433971 SBGWHPOFIKDNMN-FPMFFAJLSA-N 357.281 3.504 0 40 FHAB C[C@@H]1C[C@H]1C(=O)N1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1 64448002 IMIWIKCSHURIDQ-CXAGYDPISA-N 354.416 3.784 0 40 FHAB CCSc1ccc(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cn1 69596616 CJEARFCKUAJXLI-INIZCTEOSA-N 361.442 3.938 0 40 FHAB COc1ccc(S(=O)(=O)N(Cc2cccs2)C2CCCC2)cc1 4295522 GJULGUKKHJZTIV-UHFFFAOYSA-N 351.493 3.890 0 40 FHAB O=C1C[C@@H](c2cccc(Cl)c2)c2c(O)nc3nc4ccccc4n3c2N1 13723038 YOBXKENXQIPGNK-LBPRGKRZSA-N 364.792 3.716 0 40 FHAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)Nc1ccc(Cl)cc1 39548973 NLFRACUOZBADSY-UHFFFAOYSA-N 350.856 3.961 0 40 FHAB Cc1ccc(NC(=O)CCC(=O)Nc2nnc(CC(C)C)s2)cc1C 5180248 NNEWRUJTMLFTRB-UHFFFAOYSA-N 360.483 3.711 0 40 FHAB COc1cc(C=C(Br)Br)c(OC)c2c1OCO2 65336723 YEMTWOOIPSUUJI-UHFFFAOYSA-N 366.005 3.521 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)c2nnc(-c3ccccc3)o2)c1C 5313715 PZDLCCJLEVPJNY-ZDUSSCGKSA-N 353.378 3.802 0 40 FHAB C[C@H](C(=O)Nc1nnc(C2CCCCC2)s1)n1c(=O)oc2ccccc21 14118371 ALDUYAXXDNFLCW-LLVKDONJSA-N 372.450 3.693 0 40 FHAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CNc1cccc2c1CCCC2 8779756 ZHFNYOKITYWVDO-UHFFFAOYSA-N 363.461 3.741 0 40 FHAB NC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 8751066 ROPZTLSEJUKMJL-UHFFFAOYSA-N 369.808 3.665 0 40 FHAB COc1ccc(-c2nnc3sc(-c4cccc(OC)c4OC)nn23)cc1 8715077 AKWRJHXRYPCDIB-UHFFFAOYSA-N 368.418 3.546 0 40 FHAB CCCC(=O)Nc1cccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 4681905 YBCHLXTURUCTPR-UHFFFAOYSA-N 372.421 3.703 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2C)cc1C 5518039 GXGNUBPNAVIDNY-UHFFFAOYSA-N 352.463 3.830 0 40 FHAB Cc1ccc([C@@H](O)c2cc3c(cc2NC(=O)c2ccco2)OCCO3)cc1 4741130 SGPFIHRNFOOVLL-HXUWFJFHSA-N 365.385 3.693 0 40 FHAB COc1ccccc1N1CCN(C(=O)c2ccc(-c3ccccc3)o2)CC1 4749295 KSQQJWDGFIPLHD-UHFFFAOYSA-N 362.429 3.918 0 40 FHAB Cc1ccc([C@@H]2N=C(Nc3cccc(C)c3C)Nc3nc(C)cc(=O)n32)cc1 4748812 OYCCOJMMSWXHFM-HXUWFJFHSA-N 373.460 3.917 0 40 FHAB CCc1ccccc1NC(=O)[C@H]1CS[C@]2(c3cccs3)CCC(=O)N12 6787895 SWAYUSVEXOSIDF-BEFAXECRSA-N 372.515 3.840 0 40 FHAB COc1ccccc1C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 4825662 MJYDYZNNDNXUEN-UHFFFAOYSA-N 353.403 3.656 0 40 FHAB CCOc1ccc(-c2nonc2NC(=O)COc2cccc(C)c2C)cc1 8917199 QAKDNZLRMDHJIS-UHFFFAOYSA-N 367.405 3.770 0 40 FHAB C[C@H](NC(=O)[C@]1(C)Cc2ccccc2C(=O)O1)C12CC3CC(CC(C3)C1)C2 7397928 AMWZFBDFFJRBKR-SRTAOMLUSA-N 367.489 3.879 0 40 FHAB COc1cc(OC)c(OC)cc1CNC(=O)/C=C/c1ccc([C@H]2C[C@@H]2C)o1 16234315 HOFJWHMTNJXKFT-KQOCBEFLSA-N 371.433 3.758 0 40 FHAB Cc1cc(C)cc(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)c1 7927240 RVWGJPSVJMRWNU-GOSISDBHSA-N 358.507 3.985 0 40 FHAB Cc1nc(SC(F)F)nc(C)c1CCC(=O)NCc1ccccc1 8007378 VJZMXVRFHUJLBE-UHFFFAOYSA-N 351.422 3.657 0 40 FHAB CCCCS(=O)(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 21642028 QZQNQBASMHCBOK-UHFFFAOYSA-N 372.534 3.524 0 40 FHAB COc1ccc(-c2cnc3n2CCN(C(=O)c2sccc2C)C3)cc1 306129493 IEVIAALSEYYELF-UHFFFAOYSA-N 353.447 3.585 0 40 FHAB O=C1NC(=O)c2ccccc2/C1=C\N[C@@H](c1cccs1)C1CCCC1 89857685 YHRNUDJRHRMALA-FXFXYLOPSA-N 352.459 3.880 0 40 FHAB c1cncc(-c2nc(N3CCC[C@@H](N4CCCC4)C3)c3ccccc3n2)c1 76836017 UHDSYTTUXHBVHF-GOSISDBHSA-N 359.477 3.756 0 40 FHAB CC(C)[C@@H]1CN(C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)CCO1 95994550 XXCZTMOVTPWFPE-KRWDZBQOSA-N 373.474 3.683 0 40 FHAB COC(=O)CCCN1CCC(N[C@@H]2CCCC[C@@H]2Cc2ccccc2)CC1 95986440 NKLNROKCUHYQHU-IFMALSPDSA-N 372.553 3.795 0 40 FHAB CC1(C)CC[C@@H](NC(=O)[C@H]2CSCN2C(=O)C2CCC2)c2ccccc21 78470212 GGEZFGHPCVGVPD-QZTJIDSGSA-N 372.534 3.617 0 40 FHAB Cc1ccc(N([C@H](C)C(=O)Nc2cccc(C)c2C)S(C)(=O)=O)cc1C 409383096 ZDKXFLFRGSGCSV-QGZVFWFLSA-N 374.506 3.713 0 40 FHAB CCc1ccc(N2C[C@@H](C(=O)NCCCCc3ccccc3)CC2=O)cc1 408707179 HVHHLICZPUQJGC-FQEVSTJZSA-N 364.489 3.741 0 40 FHAB O=S(=O)(Cc1cccc(F)c1)Nc1ccc2cccc(Cl)c2n1 502426603 SNXPOZIJYDRBBK-UHFFFAOYSA-N 350.802 3.969 0 40 FHAB CCOc1ccc(-c2nnc3n2N[C@H](c2ccccc2OC)S3)cc1 3843259 RSGDKQBLYTWHPP-KRWDZBQOSA-N 354.435 3.700 0 40 FHAB biogenic Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@@H](C)[C@@H]3CCCOC3)c12 541874017 VAJYQPYPUNOYSR-XJKSGUPXSA-N 365.433 3.743 0 40 FHAB O=C(/C=C/c1ccco1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 70635377 NHFWTXREDCNIAF-WAVCKPEOSA-N 351.324 3.912 0 40 FHAB COCCNc1ccc(-c2noc([C@@H]3CCCN3C3CCCCC3)n2)cn1 35425170 JQKYMWLGPHUQSY-KRWDZBQOSA-N 371.485 3.660 0 40 FHAB biogenic,in-vitro C[C@@H](Oc1ccccc1)C(=O)NCc1ccccc1CN1CCCCC1 31524736 JNTPLIBSPYANAX-GOSISDBHSA-N 352.478 3.756 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCC1(c2ccccc2)CCOCC1 78726452 VXPQFUMKUNEMNA-INIZCTEOSA-N 373.880 3.972 0 40 FHAB CCc1nnc(S/C(=C\c2ccc(OC(C)C)c(OC)c2)C(=O)O)o1 214859073 KMBBGOYBKDJFKJ-ZROIWOOFSA-N 364.423 3.646 0 40 FHAB O=C1C[C@@H](c2ccncc2)c2c(c(C(=O)O)cn2-c2ccc(Cl)cc2)N1 49549932 OPPIYVYCBYVEQZ-AWEZNQCLSA-N 367.792 3.698 0 40 FHAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCC(C)C)c2)c1 224136961 FKPCQTHMYRBJAU-UHFFFAOYSA-N 374.506 3.596 0 40 FHAB O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc(F)cc1Cl 48956596 XRABMIKDSJCWIJ-QGZVFWFLSA-N 360.816 3.573 0 40 FHAB CCC(C)(C)NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2)c1 224301246 OTQOAHWLXZKDRV-UHFFFAOYSA-N 374.506 3.739 0 40 FHAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 222868152 YXTZNVVIADVEGI-RTBURBONSA-N 366.490 3.907 0 40 FHAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(O[C@H]2CCOC2)nc1 225707808 PIHRSIHXGITDLP-FQEVSTJZSA-N 374.440 3.769 0 40 FHAB CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)C(C)C 223553174 CRLRXGMESJHXBU-HXUWFJFHSA-N 368.477 3.557 0 40 FHAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 222535509 BSUDHTFAUZUKBY-MRXNPFEDSA-N 372.896 3.663 0 40 FHAB CCc1ccccc1NC(=O)[C@@H](CC)N(c1cccc(C)c1)S(C)(=O)=O 220494334 ZVEPUEUSHZRSNK-LJQANCHMSA-N 374.506 3.741 0 40 FHAB O=C(Cc1ccccc1Cl)N1CC[C@H](N2CCc3ccccc3C2)C1 225684857 KUTASHGZNOVEIZ-IBGZPJMESA-N 354.881 3.542 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 225029941 HPLDVJCSOWXHGI-IFXJQAMLSA-N 373.449 3.747 0 40 FHAB CCN(Cc1ccc(Cl)nc1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 91355859 VFORTKBYYAIADV-HNNXBMFYSA-N 369.893 3.633 0 40 FHAB c1ccc(COC[C@@H]2CC3(CCN(Cc4ccsc4)CC3)CO2)nc1 96209409 VFAJADJWECPXPX-IBGZPJMESA-N 358.507 3.731 0 40 FHAB CCOC(=O)c1cc(Cl)c(NC(=O)c2sc(C)nc2C)cc1OC 334161046 RRNCYPOPZNULMQ-UHFFFAOYSA-N 368.842 3.851 0 40 FHAB CC1CCC(NC(=O)[C@@H]2[C@@H]3CC[C@]4(CC(=O)c5ccccc5O4)[C@H]32)CC1 248007938 WMFQZJOXVFTIGJ-PRLWFVIDSA-N 353.462 3.742 0 40 FHAB Cn1cncc1-c1cccc([C@@H]2CCCN2Cc2ccc(C(=O)O)cc2)n1 257311084 UHWKZLNXWRRXGV-IBGZPJMESA-N 362.433 3.517 0 40 FHAB C[C@H]1C[C@@H](C(=O)Nc2nc3ccccc3n2-c2ccccc2F)CCO1 678949076 BTKDHLLYVWGXPO-KBPBESRZSA-N 353.397 3.918 0 40 FHAB O=C(NC[C@@H]1CCc2ccccc21)NC1CCN(Cc2ccccc2)CC1 111419601 UQTNZHFYVLWACN-FQEVSTJZSA-N 363.505 3.680 0 40 FHAB COc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c(C)c1C 605002152 REKNHOAMFIOUNI-OLZOCXBDSA-N 365.417 3.711 0 40 FHAB O=C(c1cccc(Cl)c1)N1CC2(C[C@@H](OCc3ccccn3)CS2)C1 585105444 WOWLNOMBBNCWRB-QGZVFWFLSA-N 374.893 3.652 0 40 FHAB CC(C)c1[nH]ccc1C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 584129231 PRJRTEPSJHCLHQ-UHFFFAOYSA-N 361.530 3.682 0 40 FHAB O=C(CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)Nc1ccc(F)cc1 1013102 PGPWULMUFPHJJP-OQLLNIDSSA-N 374.368 3.640 0 40 FHAB COC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3)cc2)C1=O 1152841 SIAGMFBNPKYWHL-WJDWOHSUSA-N 353.399 3.563 0 40 FHAB C(=C/c1ccccc1)\CN1CCN(c2ncnc3c2[nH]c2ccccc23)CC1 2418065 LXSAQGBJNLJWMM-RMKNXTFCSA-N 369.472 3.947 0 40 FHAB NC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 5120068 QEWDCBICOFCGJR-UHFFFAOYSA-N 369.273 3.964 0 40 FHAB C[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(F)cc1Cl 5689603 GHWBJMKTRFSAEC-SNVBAGLBSA-N 350.777 3.689 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(CC3CCCC3)[nH]2)c1C 11884536 KBQGQDFOWBIPPC-UHFFFAOYSA-N 360.483 3.660 0 40 FHAB COc1ccccc1CN(Cc1cncn1C)C1CC(C)(C)NC(C)(C)C1 12116739 STOLTVSEPPFRPH-UHFFFAOYSA-N 370.541 3.740 0 40 FHAB Cc1cc(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)on1 12145568 MKZDXMQCIOPLOV-INIZCTEOSA-N 368.412 3.751 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)COc1ccc(C(C)C)cc1 13684497 CVWVLCBMSOCRPT-UHFFFAOYSA-N 354.450 3.967 0 40 FHAB O=C(COc1ccccc1Cl)NC[C@H](c1ccco1)N1CCCCC1 15860029 LLJWBSVPIAGLTM-MRXNPFEDSA-N 362.857 3.655 0 40 FHAB FC(F)(F)c1ccc(NC(=S)N2CCN(c3ccccn3)CC2)cc1 17075219 YCOKEJQNWBWNLF-UHFFFAOYSA-N 366.412 3.619 0 40 FHAB Fc1ccccc1CN(Cc1[nH]nnc1-c1ccccc1)C[C@H]1CCCO1 19373946 MWYRZDNDEIJORY-GOSISDBHSA-N 366.440 3.792 0 40 FHAB Cc1cccn2cc(C(=O)N3CCC[C@H](c4nc5ccccc5n4C)C3)nc12 19718977 GYOXHFSAVOJGGA-INIZCTEOSA-N 373.460 3.549 0 40 FHAB CC(=O)Oc1ccc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)cc1 6296311 XZIIPXNPGJQDJZ-QGOAFFKASA-N 367.426 3.891 0 40 FHAB C[C@H](NC(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1)c1cccs1 26244343 RQBGYRHDYSKERD-KBPBESRZSA-N 355.467 3.792 0 40 FHAB Cc1ccccc1N1C[C@](O)(c2ccc(OC(F)F)cc2)[N+]2=C1CCCC2 2966437 SXGYKXDQEKSMKL-NRFANRHFSA-N 373.423 3.857 0 40 FHAB COc1ccc(-c2nnc(NC(=O)c3ccccc3Br)o2)cc1 4276067 XFPCQGDZJLUQTG-UHFFFAOYSA-N 374.194 3.760 0 40 FHAB Cc1ccc(NC(=O)c2cccn(Cc3cccc(F)c3)c2=O)c(C)c1 5268815 XHEALJMNNKPLJT-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB CC(C)CS(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 8840666 ZQAWHTGGHSZTLP-UHFFFAOYSA-N 372.490 3.564 0 40 FHAB COc1ccc2c(c1)C=C(C(=O)Nc1cc(OC)ccc1OC)C=CO2 15838785 WMTRSEUIPGSUDG-UHFFFAOYSA-N 353.374 3.641 0 40 FHAB CCOc1ccccc1CNC(=O)c1ccc(-n2nc(C)c(C)c2C)nc1 49407423 WEICJEQRKSMLEO-UHFFFAOYSA-N 364.449 3.521 0 40 FHAB CC1=C(c2nc(-c3ccc(C)cc3)no2)[C@@H](c2ccco2)NC(=S)N1 24834095 GOKNVEJYPITQQM-OAHLLOKOSA-N 352.419 3.588 0 40 FHAB Cc1cccc(OCCNC(=O)NCc2ncc(-c3ccccc3)o2)c1 40120843 RSYRXFWZTQDDRR-UHFFFAOYSA-N 351.406 3.528 0 40 FHAB O=c1cc(-c2ccccn2)nc2n(Cc3ccccc3F)c3ccccc3n12 40484735 RMLUSTQHTOODRK-UHFFFAOYSA-N 370.387 3.899 0 40 FHAB Cc1oc(-c2cccs2)nc1CC(=O)N1CCN(C)c2ccccc2C1 68860161 PUUHSKGMRZTIRP-UHFFFAOYSA-N 367.474 3.733 0 40 FHAB COc1ccc([C@H](C)NC(=O)c2nnn(-c3ccc(Cl)cc3)c2C)cc1 51318192 BPDOANKVZKTQDK-LBPRGKRZSA-N 370.840 3.729 0 40 FHAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)NC1CCCCC1 1364542 FFXKKAGMEKCFAB-UHFFFAOYSA-N 370.522 3.745 0 40 FHAB CCCCOC(=O)CSc1nnc(Nc2ccccc2OC)s1 8089759 PDCISBWLCBHLDL-UHFFFAOYSA-N 353.469 3.726 0 40 FHAB CCC(=O)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 4412686 ZNQARNVPHQJEAF-UHFFFAOYSA-N 371.868 3.651 0 40 FHAB CCOC(=O)C1=C(C)/C(=C/c2[nH]c(Cl)c(C)c2C(=O)OCC)N=C1C 4794535 HROHYZIOOXDSLX-WQLSENKSSA-N 364.829 3.848 0 40 FHAB OCCCNc1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)nn12 4980486 GVBLUSJBGMVMJC-UHFFFAOYSA-N 362.408 3.997 0 40 FHAB O=C([C@@H](Sc1nncn1-c1ccccc1)c1ccccc1)N1CCCC1 6974861 JWFFMDVKNKMQGS-SFHVURJKSA-N 364.474 3.723 0 40 FHAB CN(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)c1ccc(F)cc1 52190673 QBUVILPPFICIFZ-QGZVFWFLSA-N 367.380 3.826 0 40 FHAB CCOc1ccc(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)cc1 32776596 BDLCKCZZPMZSDX-UHFFFAOYSA-N 366.339 3.630 0 40 FHAB CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1nccs1 2619851 ZYTRIMPBHYMVGV-HNNXBMFYSA-N 359.495 3.834 0 40 FHAB COc1cc(SC)ccc1C(=O)OCc1nnc(-c2ccccc2)o1 2618680 GFCIGQKGPLZQJK-UHFFFAOYSA-N 356.403 3.824 0 40 FHAB O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1cccc2ccccc12 2651512 GQTSBYIQMOAYSA-NRFANRHFSA-N 369.424 3.984 0 40 FHAB Cc1cnc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)s1 2654347 DFSYEPZFKWRTQX-CYBMUJFWSA-N 363.870 3.596 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2nnc(Cc3ccccc3)s2)c1C 21564311 VXLYJJPFIAMYDT-UHFFFAOYSA-N 354.435 3.529 0 40 FHAB Cc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1c(C)cccc1C 8433708 SLXXOERWLLBCDC-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB O=C(NCc1cccc(C(=O)N2CCCC2)c1)c1ccc(F)cc1Cl 32930518 DSGSVRJGOMVISJ-UHFFFAOYSA-N 360.816 3.645 0 40 FHAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(Cc2ccc(Cl)cc2)CC1 29962239 ZVPVOAYIDHXDEV-AWEZNQCLSA-N 362.905 3.899 0 40 FHAB COC(=O)c1n[nH]c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc12 25016284 KZBUODABUUHHRT-UHFFFAOYSA-N 353.422 3.504 0 40 FHAB CC[C@H](NS(=O)(=O)c1ccc(SC)cc1)c1ccc(OC)cc1 20112773 VVIZWRLTNLVSRC-KRWDZBQOSA-N 351.493 3.847 0 40 FHAB CSc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c1 20486938 ZQXVMPVABMILLD-UHFFFAOYSA-N 370.883 3.686 0 40 FHAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccccc2Cl)c1 23009166 QDYUMCPZTITXPP-UHFFFAOYSA-N 357.841 3.682 0 40 FHAB O=C1C[C@@H](Nc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1F 101276448 WRJUUEBRCQPEFD-GFCCVEGCSA-N 353.180 3.877 0 40 FHAB COc1ccc(-c2nc(COc3ccc4c(C)cc(=O)oc4c3)no2)cc1 23949390 PHKWAXXKGPPHRF-UHFFFAOYSA-N 364.357 3.739 0 40 FHAB COc1cc(C(=O)Nc2cccc(NC(=O)NC(C)C)c2)cc(OC)c1C 24511618 UNWIXWFKLMMLLK-UHFFFAOYSA-N 371.437 3.794 0 40 FHAB O=C(O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1 58863906 VRKGAQBDZBYCAB-UHFFFAOYSA-N 360.369 3.889 0 40 FHAB COc1ccc([S@](=O)CC(O)(c2ccccc2)c2ccccc2)cc1 3128435 PLLNSUJVNFMBGI-VWLOTQADSA-N 352.455 3.739 0 40 FHAB CCc1nnsc1C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 55647295 SOOAKCSIVZFOGH-CYBMUJFWSA-N 368.462 3.566 0 40 FHAB CCn1c2ccccc2c2cc(CN(C)S(=O)(=O)N3CCCC3)ccc21 12597751 MMMYFALNUKBTSJ-UHFFFAOYSA-N 371.506 3.587 0 40 FHAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1C 12543122 LQYAXQTZTTUZHA-JXFKEZNVSA-N 352.434 3.749 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1nnn2cc(Br)ccc12 91302745 VHSWWRNGBUQBRS-LLVKDONJSA-N 367.247 3.564 0 40 FHAB CCc1nc(CC(=O)N(CCOC)c2nc3ccccc3s2)cs1 57268293 PDOFMPNMNWCKFM-UHFFFAOYSA-N 361.492 3.537 0 40 FHAB CCOc1ccc(C(=O)OCC(=O)Nc2cccc(C)c2)cc1OCC 3238975 PANXJWOATXHKBP-UHFFFAOYSA-N 357.406 3.588 0 40 FHAB O=C(COc1cccc(Cl)c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12601770 FCOLKOWHOSGRHV-KRWDZBQOSA-N 355.825 3.959 0 40 FHAB Cc1cc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)n(C)n1 58283466 INBMNZPTOGXCSS-UHFFFAOYSA-N 364.236 3.532 0 40 FHAB O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc[nH]1 58391353 QEIJOFSGHNRFIC-UHFFFAOYSA-N 360.392 3.937 0 40 FHAB CC(C)CNC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 2249011 JZQNPSNNSFUYAM-UHFFFAOYSA-N 359.433 3.542 0 40 FHAB CC(=O)Nc1nc(C(=O)N(C)C2CCC(c3ccccc3)CC2)cs1 58412982 BCAAHOMBAZHKOP-UHFFFAOYSA-N 357.479 3.900 0 40 FHAB CCCn1c(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)nc2ccccc21 10652990 NXCVKLXKERHZTG-AWEZNQCLSA-N 366.396 3.650 0 40 FHAB COc1ccccc1NC(=O)c1cc(-c2ccc3c(c2)C[C@H](C)O3)on1 28286928 NCLHEILOAFYGMK-LBPRGKRZSA-N 350.374 3.926 0 40 FHAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(OC)c(O)c2)cc1 36354346 PJICCRZQOTZMKW-HNNXBMFYSA-N 365.389 3.719 0 40 FHAB CC[C@@H](C)c1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 3357297 SYVDYQXDOOJFRV-LLVKDONJSA-N 366.870 3.753 0 40 FHAB C[C@H]1CC(=O)c2c(OCC(=O)NCc3ccc(Cl)cc3)ccc(F)c21 12748072 NPNHVQHYKFUADK-NSHDSACASA-N 361.800 3.864 0 40 FHAB C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)NC1CCCC1 12770089 AVWAQFPYCYVWNH-SNVBAGLBSA-N 351.859 3.929 0 40 FHAB C[C@H](NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1ccc(F)cc1 12806024 DLWSWLZLNRLPAI-ZDUSSCGKSA-N 355.413 3.735 0 40 FHAB O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F 8395619 NJUSMZTXELWRII-UHFFFAOYSA-N 370.758 3.906 0 40 FHAB CCOc1ccc(NC(=O)[C@H](NC(=O)C2CCC(C)CC2)C(C)C)cc1 3895799 AIKAWQWPZIKUSQ-LADRWXRNSA-N 360.498 3.991 0 40 FHAB COc1ccc(C2=N/C(=C/c3ccc(OC(C)C)c(OC)c3)C(=O)O2)cc1 5000726 PKUNWHZBIPQLSA-GZTJUZNOSA-N 367.401 3.836 0 40 FHAB C[C@@H](NCC(=O)NCCc1nc2ccccc2s1)c1ccccc1Cl 14075442 ZCXWCLUJDGCVDL-CYBMUJFWSA-N 373.909 3.959 0 40 FHAB Cn1ccc(-c2nc(C(=O)NCc3ccc(F)c(F)c3)c3ccccn23)c1 306143418 YBXFPWRCXUUNBJ-UHFFFAOYSA-N 366.371 3.548 0 40 FHAB Cc1ccc(N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1 5521788 XYDJUBUQERNZCM-UHFFFAOYSA-N 358.507 3.629 0 40 FHAB Cc1cc(C)cc(OCC(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2)c1 6610253 XZUDDASYIOHFTH-CQSZACIVSA-N 361.825 3.906 0 40 FHAB O=C(NC1=NCCS1)c1cc2nc(Nc3ccccc3)sc2s1 5689596 XNXLVAMWTOUWJM-UHFFFAOYSA-N 360.489 3.934 0 40 FHAB O=C1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)Oc2ccc(F)cc21 15083948 HCQYCPPKKHECLX-HNNXBMFYSA-N 353.271 3.817 0 40 FHAB C[C@@H]1c2cccn2CCN1CC(=O)Nc1ccc(N2CCCCCC2)cc1 15417518 FEEBRFDDADVIBM-GOSISDBHSA-N 366.509 3.884 0 40 FHAB C[C@@H](NC(=O)CSc1nnc2n1CCCCC2)c1cc2ccccc2o1 7281002 QMAPLMNHWPVTKG-CYBMUJFWSA-N 370.478 3.720 0 40 FHAB CCOc1ccc(OCC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 8728946 NUZDRVJEPXKZLC-UHFFFAOYSA-N 350.418 3.530 0 40 FHAB COc1ccc(NC(=O)C2=C(C)Nc3nc(SC)nn3[C@H]2C(C)C)cc1 8769806 XWGPHMBREGWSOI-HNNXBMFYSA-N 373.482 3.544 0 40 FHAB C[C@@H](NC(=O)c1ccc(-c2ccccc2F)s1)c1nnc2n1CCC2 67677248 RGVUCGWCCBJDTF-LLVKDONJSA-N 356.426 3.583 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1 15796682 XWANZASVUSUTDU-MRXNPFEDSA-N 372.490 3.810 0 40 FHAB C[C@H](Sc1nnc(Nc2cccc(F)c2)s1)C(=O)N1CCCC1 7577204 VSELYBOITXAVCK-JTQLQIEISA-N 352.460 3.524 0 40 FHAB CCc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2F)cc1 68362302 OVSQXTDWMPRSGD-QGZVFWFLSA-N 358.438 3.542 0 40 FHAB CN1CCN(Cc2ccc(Oc3cnccn3)cc2)c2cc(F)ccc21 96003707 OFDPXZRQIMUTTI-UHFFFAOYSA-N 350.397 3.864 0 40 FHAB COCCCN1CCC(Nc2cnc3cc(Cl)c(Cl)cc3n2)CC1 96007355 JUYPFBZGFICCRT-UHFFFAOYSA-N 369.296 3.849 0 40 FHAB Cn1cc(C(=O)OCc2ccnc(Cl)c2)c(-c2ccc(F)cc2F)n1 113994516 ZLKKHHPJOJUNCV-UHFFFAOYSA-N 363.751 3.771 0 40 FHAB CCc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(OC)cc2)cc1 72238451 HODZGHIESCLHRX-IBGZPJMESA-N 352.434 3.501 0 40 FHAB C[C@@]1(c2nc(C3CC3)no2)CCCN(Cc2noc(C3CCCC3)n2)C1 75876546 QQPJORCNXKEKHS-LJQANCHMSA-N 357.458 3.541 0 40 FHAB CCCCCNS(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 408585249 YCDKINXBKVZMKB-UHFFFAOYSA-N 367.515 3.563 0 40 FHAB CCn1cc(C(=O)Nc2ccc(C)cc2C)c(=O)c2cc(OC)ccc21 22235719 GYZBHRBOSLFWNH-UHFFFAOYSA-N 350.418 3.899 0 40 FHAB O=S(=O)(c1cccnc1)N1CCc2sccc2[C@H]1c1cccs1 79896955 DWLQGOLBACYWQC-INIZCTEOSA-N 362.501 3.541 0 40 FHAB O=C(Nc1nnc(-c2ccccc2)s1)c1cnn(Cc2ccccc2)c1 28282669 CTHXHRLUXFMKOV-UHFFFAOYSA-N 361.430 3.702 0 40 FHAB O=C(CCc1ccccc1)Nc1cc2[nH]c(O)nc2cc1Br 408531488 OFJRIBUVYNKGDY-UHFFFAOYSA-N 360.211 3.602 0 40 FHAB O[C@@H]1CCN(Cc2c([C@@H]3CCCO3)[nH]c3ncccc23)[C@H]2CCCC[C@@H]21 36741428 UHNBMDICIJZVPS-KANFNMMFSA-N 355.482 3.540 0 40 FHAB COc1cccc(-c2noc([C@H]3CCN(Cc4ccc(F)cc4)C3)n2)c1 72369856 PDKLILMNCBFZKF-INIZCTEOSA-N 353.397 3.874 0 40 FHAB Cc1cccc(OCCCNC(=O)C(=O)c2c(C)[nH]c3ccccc23)c1 32914274 OTBDPBYURAQXPY-UHFFFAOYSA-N 350.418 3.553 0 40 FHAB Cc1cc2nc(C3CCN(CC(=O)NC4CCCCC4)CC3)[nH]c2cc1C 35292235 SZDHTULTPOQJAR-UHFFFAOYSA-N 368.525 3.808 0 40 FHAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 224988996 DRVHXZLGESVDJA-HZPDHXFCSA-N 366.933 3.982 0 40 FHAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 225102278 GZXUOCKVIOLDEB-OAQYLSRUSA-N 366.505 3.871 0 40 FHAB COc1cc(NC(=O)NCc2ccccc2Cl)cc(OC)c1OC 40096255 VWIBYIJKZCBSFZ-UHFFFAOYSA-N 350.802 3.688 0 40 FHAB O=C([C@H]1Cc2ccccc2CN1Cc1ccc(O)cc1)N1CCCCCC1 199415462 KBYPROJTBKNSNK-JOCHJYFZSA-N 364.489 3.722 0 40 FHAB CCc1ccc(OCCNC(=O)CCCOc2ccc(OC)cc2)cc1 224146701 BBAFEIISLLCKQW-UHFFFAOYSA-N 357.450 3.612 0 40 FHAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)[nH]1 224586337 WZBGOXUVGUPADG-MOPGFXCFSA-N 364.474 3.904 0 40 FHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)s1 223294345 IEWRXRPGSOPLCA-IAOVAPTHSA-N 359.520 3.603 0 40 FHAB O=C(O)CN(Cc1ccc(F)cc1)C(=O)c1ccc(Cl)cc1Cl 225318296 ZHQXTJRGPGYWOL-UHFFFAOYSA-N 356.180 3.860 0 40 FHAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 222518269 WYDRRCNGKUMRQC-INIZCTEOSA-N 372.896 3.744 0 40 FHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1cc(C)ccn1 225688807 YBBMLSARGABBSW-HNNXBMFYSA-N 357.479 3.987 0 40 FHAB COc1ccc(-c2noc(-c3c[nH]c4ccc(C)cc4c3=O)n2)c(OC)c1 75352730 DSZFHLAEEKPYOW-UHFFFAOYSA-N 363.373 3.571 0 40 FHAB COC(=O)CSc1nc(NC(=O)c2ccccc2)c(-c2ccccc2)o1 96346515 UWXJUQCEVWWODM-UHFFFAOYSA-N 368.414 3.859 0 40 FHAB CCn1c(CN2CCC[C@H]2Cc2ccccc2)nc2cc(C(=O)O)ccc21 581256409 UZTJOLYQXADVSJ-SFHVURJKSA-N 363.461 3.962 0 40 FHAB CC(C)c1cc(C(=O)N2CCC[C@H]2c2nccc(CN(C)C)n2)cs1 257258018 KSBFDIMPSHXPOK-INIZCTEOSA-N 358.511 3.700 0 40 FHAB CNc1cc(C)nc([C@@H]2CCN(C(=O)c3cc4cccc(F)c4[nH]3)C2)c1 257303955 SJMAREYALDSQIN-CQSZACIVSA-N 352.413 3.682 0 40 FHAB O=C(C1CCCCC1)N1CCC(c2cncc(Nc3ccccn3)n2)CC1 257211483 BZAQIXDWSMGULX-UHFFFAOYSA-N 365.481 3.902 0 40 FHAB CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)CCC2CCCCC2)nc1 257241679 HZCDWSSVSNQBKX-FQEVSTJZSA-N 357.498 3.742 0 40 FHAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(OC2CCCC2)cc1 603563679 UUXNXVABAJULLZ-FQEVSTJZSA-N 367.445 3.522 0 40 FHAB CC(C)c1ccc(NC(=O)CC[C@H]2NC(=O)c3ccccc3N=C2O)cc1 36589774 VDKHLOIYYSWZKD-GOSISDBHSA-N 365.433 3.929 0 40 FHAB biogenic COc1ccc2c(c1)[C@@H](C(=O)N[C@@H](CC(=O)O)c1cccs1)CCC2 656231783 DVBMGTGAJSRKRI-HOCLYGCPSA-N 359.447 3.509 0 40 FHAB Cc1nnc(-c2ccc(C(=O)N3CCC(c4nccs4)CC3)cc2)o1 673655896 AGFQBCVFOMCPHD-UHFFFAOYSA-N 354.435 3.521 0 40 FHAB CCc1nnc(O)c(CNC(=O)N2CC(C)(C)[C@@H]2c2ccccc2)c1CC 677230607 PLIFRKKNLIVGSF-SFHVURJKSA-N 368.481 3.600 0 40 FHAB CCOc1ccc(CNC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)cc1OC 660338929 NPTIOUWPHQTXDI-KBXCAEBGSA-N 354.450 3.622 0 40 FHAB COc1ccccc1Cc1cnc([C@@H]2CCCN2c2cc(C)ncn2)o1 585178798 HUJMRFGCOSEKRI-KRWDZBQOSA-N 350.422 3.714 0 40 FHAB CCc1nccn1[C@@H](C)CC(=O)N[C@H]1COc2ccc3ccccc3c2C1 952994697 GYVFCZULLGESSZ-DOTOQJQBSA-N 363.461 3.670 0 40 FHAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(OC(F)F)cc2)NC(=O)N1 5833205 AMQRZFRSFJEZIP-MRXNPFEDSA-N 373.359 3.555 0 40 FHAB Cc1ccccc1-c1nnc(SCC(=O)N(C)Cc2ccccc2)n1C 5860959 YSQDPHLLEFTILJ-UHFFFAOYSA-N 366.490 3.541 0 40 FHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CCC2CCCC2)ccc1C 5937624 FHOMXMXOZGFEAS-UHFFFAOYSA-N 366.527 3.934 0 40 FHAB CCC(=O)N(c1ccccc1)C1CCN(CCc2ccc(O)cc2)CC1 12650364 LCMFYINHURKMTB-UHFFFAOYSA-N 352.478 3.842 0 40 FHAB CC1=NN(c2ccccc2)C(=O)[C@@]1(C)[C@@]1(C)C(=O)N(c2ccccc2)N=C1C 16607315 RTKZPUFORVKLBP-SZPZYZBQSA-N 374.444 3.844 0 40 FHAB COc1ccc2oc(C(=O)OCC(=O)N3[C@@H](C)CCC[C@H]3C)c(C)c2c1 17722731 VDRXHFLOECAHRR-BETUJISGSA-N 359.422 3.696 0 40 FHAB COc1ccccc1CN1CCC(c2nnc(-c3ccncc3)o2)CC1 19570173 XJOGJDYUCMIRKD-UHFFFAOYSA-N 350.422 3.520 0 40 FHAB CCN(CC)C(=O)[C@H]1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)C1 19691442 XVDUYKNOYZDYIC-ZDUSSCGKSA-N 371.403 3.818 0 40 FHAB O=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)Nc1cccc(F)c1 208283509 UXGZTAACBPRZIH-MDWZMJQESA-N 362.407 3.562 0 40 FHAB COc1ccc(-c2cc(N)n(-c3nc(-c4cccc(O)c4)cs3)n2)cc1 1405056 LECKYVPCUGIIIF-UHFFFAOYSA-N 364.430 3.959 0 40 FHAB Cc1cc(N2CC(n3c(C(C)C)nc4ccccc43)C2)n2nc(C)cc2n1 1888913948 APZBHBWGLSHGFY-UHFFFAOYSA-N 360.465 3.881 0 40 FHAB Cc1cnn(CC2CN(c3nc4ccc(Br)cc4s3)C2)c1 1889179514 BPGWFAFXQXZZFK-UHFFFAOYSA-N 363.284 3.700 0 40 FHAB Cc1cc(OC[C@]2(O)CCCN(C(=O)C3CCC3)CC2)cc(C)c1Cl 2037912007 BJRAJGKGCSXWIZ-FQEVSTJZSA-N 365.901 3.879 0 40 FHAB Cc1cc(C)c(C)c(S(=O)(=O)N2C(=S)N=C(O)[C@@H]2CC(C)C)c1C 631303 UAWXOIGLGGWPNG-AWEZNQCLSA-N 368.524 3.581 0 40 FHAB O=C(Nc1nnc(SCc2ccc(Br)cc2)s1)C1CC1 4078264 TWTUKQPGGPZXLL-UHFFFAOYSA-N 370.297 3.941 0 40 FHAB CCOc1cccc2cc(S(=O)(=O)c3cccc(Cl)c3)c(=O)oc12 4484154 FDYLFTGEKGRUPY-UHFFFAOYSA-N 364.806 3.678 0 40 FHAB O=C(Nc1ccc(F)cc1)c1cccn(Cc2ccc(Cl)cc2)c1=O 5269312 ZPQUQPHRCZGKCL-UHFFFAOYSA-N 356.784 3.941 0 40 FHAB CCc1ccc(NC(=O)Cc2csc(NC(=O)NC3CCCC3)n2)cc1 9626359 BAYCLHWKDIKRSZ-UHFFFAOYSA-N 372.494 3.951 0 40 FHAB Cc1ccc(CSc2nccn(-c3ccc4c(c3)OCCO4)c2=O)cc1 12360990 FYPPQVQBWOQPDF-UHFFFAOYSA-N 366.442 3.604 0 40 FHAB CC(C)CNC(=O)N1CCC[C@@H](COc2ncccc2C(F)(F)F)C1 1775972710 RVGGIDUPLHDIIY-CYBMUJFWSA-N 359.392 3.557 0 40 FHAB CC(C)Cn1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1cccc(Cl)c1 101113627 SQNHGNKGCBHNFL-HAVVHWLPSA-N 370.840 3.772 0 40 FHAB COc1ccc(CC(=O)N2CCc3sc(Cl)cc3C2)cc1OC 519820609 OORVFIBCHHDYFB-UHFFFAOYSA-N 351.855 3.546 0 40 FHAB Cc1cccnc1OCC1CCN(C(=O)c2ccc3ncsc3c2)CC1 585525775 BWXAPPWFLFFEFV-UHFFFAOYSA-N 367.474 3.931 0 40 FHAB C[C@H](CCc1ccco1)NCc1cc(-c2ccc(F)cc2)cn2nnnc12 72392370 PHILHLAQKAMLND-CQSZACIVSA-N 365.412 3.634 0 40 FHAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CCc1ccc(Cl)s1 40140875 OVBYFACEGJVHIE-UHFFFAOYSA-N 354.834 3.570 0 40 FHAB Cc1nc(SCCn2nc3ccccn3c2=O)n(C2CCCCC2)c1C 31845417 ONVKWBLVAOKOFS-UHFFFAOYSA-N 371.510 3.607 0 40 FHAB C[C@H](Sc1nnnn1Cc1ccco1)C(=O)C12CC3CC(CC(C3)C1)C2 11309577 PNCIVWVUIJRXNA-UHSVVUDUSA-N 372.494 3.581 0 40 FHAB CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCN(c2ccccc2O)CC1 8309099 CWTIEPDXCNRCIP-QGZVFWFLSA-N 367.493 3.665 0 40 FHAB CC[C@H](C)c1ccccc1OC[C@@H](O)CN1C(C)(C)CC(O)CC1(C)C 2694550 VLWDXHLABKTLOC-WMZOPIPTSA-N 363.542 3.954 0 40 FHAB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1F 8308755 GHSCVZHLUHWUFN-LBPRGKRZSA-N 350.821 3.947 0 40 FHAB CC(C)c1ccc(OC[C@@H](O)Cn2c([C@H](C)O)nc3ccccc32)cc1 4942775 OUDRASISVZROQK-RDJZCZTQSA-N 354.450 3.653 0 40 FHAB COc1ccccc1C(=O)NC(=S)Nc1cc(Cl)c(O)c(Cl)c1 6200367 CKIWSTZNTCMHEW-UHFFFAOYSA-N 371.245 3.834 0 40 FHAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(F)cc2F)NC(=S)N1 6378468 NCMRZOWYRNGNCE-QGZVFWFLSA-N 374.412 3.501 0 40 FHAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(NC(=O)C2CC2)s1 11811552 GZOMIYIPVPLFHZ-UHFFFAOYSA-N 370.459 3.867 0 40 FHAB CCCNc1c(NC(=O)c2ccccc2OC)c(=O)oc2ccccc12 6917515 IEEBGYOATYKRFP-UHFFFAOYSA-N 352.390 3.876 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 7882169 FYLNXISBCYRFML-ZFWWWQNUSA-N 372.852 3.897 0 40 FHAB O=C(NCCC(c1ccccc1)c1ccccc1)NC1CCC(O)CC1 32796786 LUVBPBKOHXVSLQ-UHFFFAOYSA-N 352.478 3.811 0 40 FHAB O=C(C[S@](=O)Cc1c(F)cccc1Cl)NCCC1=CCCCC1 32765065 XYLNFACMXUNRBG-QHCPKHFHSA-N 357.878 3.735 0 40 FHAB CC(=O)N1CCC(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)CC1 32740453 CIISDUMMTRBVCY-UHFFFAOYSA-N 356.466 3.534 0 40 FHAB Cc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O 8570771 MDFHLSJPLQZZTN-GXDHUFHOSA-N 354.793 3.623 0 40 FHAB CN(Cc1cccc(NC(=O)NCc2ccccc2)c1)C(=O)C(F)(F)F 32912628 YCLJRBKDOKFTRS-UHFFFAOYSA-N 365.355 3.529 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1noc(-c2ccc(C)cc2)n1 21800563 WSGBOBXSCQUVNC-HNNXBMFYSA-N 355.369 3.980 0 40 FHAB C[C@@H]1CN(CC(=O)Nc2ccccc2Sc2ccccc2)C[C@@H](C)O1 21821879 GSSMNTZIKBDZRG-HZPDHXFCSA-N 356.491 3.886 0 40 FHAB Cc1c(F)cccc1NC(=O)CSc1nnc(Cc2ccccc2)o1 686653 CNVRXEXVMLYVTO-UHFFFAOYSA-N 357.410 3.839 0 40 FHAB Cc1ccc(NC(=S)NC(=O)c2cncc(Br)c2)cc1C 678571 MOIWGBVGPXCYMO-UHFFFAOYSA-N 364.268 3.588 0 40 FHAB COc1ccc([C@@H](c2c(O)c3ccccc3oc2=O)N2CCCC2)cc1 104241856 JFUKZLBHMRCTBW-IBGZPJMESA-N 351.402 3.692 0 40 FHAB CCOc1ccc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)Nc2ccccc2)cc1 675856 XJMGZCJFPAGTOM-IBGZPJMESA-N 365.433 3.694 0 40 FHAB CN(C)C(=S)/N=c1/ss/c(=N/c2ccccc2)n1-c1ccccc1 104276724 DXNDTEDEDHZVKV-YWNVXTCZSA-N 372.544 3.580 0 40 FHAB CSCc1nc2ccccc2n1CC(=O)N1CCc2sccc2C1 22597878 SDNUQJZOASTUQS-UHFFFAOYSA-N 357.504 3.546 0 40 FHAB O=C(Nc1ccc(N2CCOCC2)nc1)c1cc(C2CC2)nc2ccccc12 22995160 AXEDLOJYLAMQHK-UHFFFAOYSA-N 374.444 3.596 0 40 FHAB O=C1CSc2ccc(NC(=O)c3cccc(OC(F)F)c3)cc2N1 23990216 SOVWBJLNDOHQOY-UHFFFAOYSA-N 350.346 3.585 0 40 FHAB Cc1ccccc1NCCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 24439748 IYCXAHCKTRKSBE-UHFFFAOYSA-N 351.450 3.672 0 40 FHAB O=C(CCOCC(F)(F)F)Nc1nc(-c2ccc3c(c2)COC3)cs1 61338560 CXXPAIISOJTRDT-UHFFFAOYSA-N 372.368 3.748 0 40 FHAB O=C(Nc1ccc(F)c(F)c1)c1cnn(-c2ccccn2)c1C(F)(F)F 24648696 LBPCDJRXPFMJAP-UHFFFAOYSA-N 368.265 3.817 0 40 FHAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(F)cc2F)cc1 55543900 NQLLXUKQRGMLPQ-UHFFFAOYSA-N 360.389 3.833 0 40 FHAB O=C(c1ccc(NC2CC2)nc1)N1CCC(Nc2ccc(F)cc2)CC1 61626517 ZYLZDHBEAUBQEL-UHFFFAOYSA-N 354.429 3.512 0 40 FHAB CCOc1ccc(NC2=NN=C(c3ccc4c(c3)OCO4)CS2)cc1 12533869 KTOKJNCTEADJHT-UHFFFAOYSA-N 355.419 3.733 0 40 FHAB O=C(CCNC(=O)c1ccsc1)Nc1ccc(Cl)c2ncccc12 12522531 PRAPGRQDQJIXCN-UHFFFAOYSA-N 359.838 3.708 0 40 FHAB O=C(NCc1cn2cc(Cl)ccc2n1)c1cc2ccccc2cc1O 58159930 DEIVTUCXQJFVDB-UHFFFAOYSA-N 351.793 3.777 0 40 FHAB Cc1ccc(C(N)=O)cc1NC(=O)c1ccccc1C(=O)c1cccs1 58284033 GLYADPTVIGWYEX-UHFFFAOYSA-N 364.426 3.639 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)NC[C@]1(N(C)C)CCC[C@@H](C)C1 58426583 HKSXRXAPIILAIC-SZNDQCEHSA-N 357.473 3.923 0 40 FHAB Cc1ccc(-c2cc(C(=O)NCC(F)(F)F)c3c(C)noc3n2)s1 58511691 QEJJNYWTZWTRSF-UHFFFAOYSA-N 355.341 3.860 0 40 FHAB CCCCc1nc2sc3c(NCCCO)ncnc3c2c2c1CCC2 2333005 LEQCJYQYVYYCKZ-UHFFFAOYSA-N 356.495 3.865 0 40 FHAB O=C(Nc1ccc2c(c1)CCC2)N(Cc1cccnc1)C[C@H]1CCCO1 48299656 SMAJPEJBWGQORR-HXUWFJFHSA-N 351.450 3.783 0 40 FHAB COc1ccc(CNC(=O)[C@H](C)Oc2ccc(F)c3c2C(=O)C[C@@H]3C)cc1 12931311 IOXJVSKLPAOOAP-STQMWFEESA-N 371.408 3.608 0 40 FHAB Cc1c(C(=O)N2CCCC[C@@H]2C)cnn1-c1ccc(Br)cc1 12949355 CBPYHNXWACNKRU-LBPRGKRZSA-N 362.271 3.958 0 40 FHAB Cc1nn(Cc2ccccc2Cl)c(C)c1CNC[C@H](C1CC1)N(C)C 48776213 SYIXJSRUKDFJEV-HXUWFJFHSA-N 360.933 3.631 0 40 FHAB COC(=O)c1ccc(COC(=O)c2c(C)nn(-c3ccccc3)c2Cl)o1 5211617 CLQHZEKEELUAGT-UHFFFAOYSA-N 374.780 3.571 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)Nc1nc(-c2cccnc2)cs1 8746968 XUFVYGWCPAEOQR-UHFFFAOYSA-N 353.403 3.505 0 40 FHAB O=S(=O)(c1ccccc1Br)N1CCC[C@H]1c1ccccc1 14101234 ZLBFIQKKJGZTBB-HNNXBMFYSA-N 366.280 3.975 0 40 FHAB O=C(CCc1nc(-c2ccccc2)no1)N1CC=C(c2ccccc2)CC1 14196709 VAQNPGWQJAWYIT-UHFFFAOYSA-N 359.429 3.985 0 40 FHAB CC[C@@H](C)N1C(=O)S/C(=C\c2c(OC)cc(OC)cc2OC)C1=O 4695929 DJSFWZIDAWQULR-XBDQXEDDSA-N 351.424 3.547 0 40 FHAB Cc1ccc(C(=O)N2CCN3C(=O)c4ccccc4[C@]23c2ccccc2)cc1 5540524 CPTCERRWJDEQKI-XMMPIXPASA-N 368.436 3.808 0 40 FHAB CC[C@H](CO)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 5523543 YSIYCFIGNYJXJV-MRXNPFEDSA-N 369.852 3.693 0 40 FHAB CN(C)C(=O)[C@H](OC(=O)/C=C/c1cccc2cccnc12)c1ccccc1 14855344 USPNJWVNDSPXBQ-QZMUEMGWSA-N 360.413 3.621 0 40 FHAB CCC(CC)NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 4871067 HBJPBXJPHUCJSR-UHFFFAOYSA-N 366.417 3.956 0 40 FHAB Cc1ccccc1Cn1c(=O)n(Cc2ccccc2)c(=O)c2ccccc21 6815772 MEZSQFYRTZCGQA-UHFFFAOYSA-N 356.425 3.568 0 40 FHAB CCCOc1ccc(OCC(=O)Nc2ccc(C(=O)OCC)cc2)cc1 15499431 OFORQZJHDSZQTN-UHFFFAOYSA-N 357.406 3.670 0 40 FHAB CCO[C@@H]1CCCN(C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)C1 67582710 CMUWRQKJNFZQLK-CQSZACIVSA-N 353.413 3.598 0 40 FHAB Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(F)cc2)n1C 7236557 ANUHWVNQKGNTGX-LLVKDONJSA-N 360.414 3.642 0 40 FHAB C[C@@H](NC(=O)c1ccccc1I)c1ccc(F)cc1 15648956 NFIFFLLFOLVKPW-SNVBAGLBSA-N 369.177 3.921 0 40 FHAB COc1ccc2cc([C@H](C)C(=O)NCc3ccc4c(c3)OCO4)ccc2c1 7911798 XIPNNWIGTAHNFW-AWEZNQCLSA-N 363.413 3.997 0 40 FHAB Cc1cc(C)c(NC(=O)CN(C)C[C@H]2COc3ccccc3O2)c(Cl)c1 16628324 NPPNNZGZDZSDTB-HNNXBMFYSA-N 374.868 3.667 0 40 FHAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccccc1OC(F)(F)F 16725138 UDSOQMKTBZXYLD-UHFFFAOYSA-N 362.311 3.727 0 40 FHAB CCCOc1ccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1OC 409196055 MTSAEILRNKCVBB-ATVHPVEESA-N 366.417 3.577 0 40 FHAB Cc1cc(N(C)C)cc(C)c1NC(=O)N(C)Cc1ccc2c(c1)OCO2 84086177 QJJJMGVGISUTTL-UHFFFAOYSA-N 355.438 3.762 0 40 FHAB CNC(=O)c1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)c1C 84041369 ZDBOPGUGRRJEQJ-UHFFFAOYSA-N 369.808 3.915 0 40 FHAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1C[C@@H](C)Sc2ccccc21 84008489 GLZVMAKNGPWHHM-GFCCVEGCSA-N 365.524 3.770 0 40 FHAB Fc1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3nnnn32)cc1 72332416 ZPNAZZJEQDYLJF-CABCVRRESA-N 374.217 3.721 0 40 FHAB Cc1oc(C)c(C(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)c1C 95377621 HCORTFHYASJGAJ-HNNXBMFYSA-N 350.459 3.724 0 40 FHAB COc1cccc(OC)c1CN[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 95435781 VMSJZEUHXMUBOJ-IEBWSBKVSA-N 354.494 3.847 0 40 FHAB CC1(C)C[C@@H](NC(=O)c2cc(Cl)c3c(c2)OCCCO3)C(C)(C)O1 95993883 QHXOGUKGBROMTR-CQSZACIVSA-N 353.846 3.577 0 40 FHAB O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)Nc1cccnn1 95966994 DUKJRSFEUPAKER-TVXIDFIASA-N 356.429 3.895 0 40 FHAB Cc1c(Br)c2ccccc2n1CC(=O)NC[C@@H]1CCCS1 79093355 JMBWWZMJDZGJRD-LBPRGKRZSA-N 367.312 3.724 0 40 FHAB CCC[C@@H](OC(=O)c1cc(C)nc2ccccc12)C(=O)Nc1cc(C)on1 9954643 AGIIJXIPDNTTFP-QGZVFWFLSA-N 367.405 3.804 0 40 FHAB COc1ccc(Br)cc1NC(=O)N[C@@H](C)C(C)(C)CN(C)C 75109661 RHYGWYIIVLUOGX-NSHDSACASA-N 372.307 3.556 0 40 FHAB CSc1ncc(C(=O)NCCc2cccs2)n1-c1ccc(F)cc1 22620197 RYEAJFOAQAKJEK-UHFFFAOYSA-N 361.467 3.767 0 40 FHAB Cc1cccc(C(=O)Nn2c(CCC(=O)O)ccc2-c2cccs2)c1 408972558 VDLVLJLPTRHOQG-UHFFFAOYSA-N 354.431 3.926 0 40 FHAB CCCOc1ccc(/C=C2\SC(=O)N(CCOC)C2=O)cc1OCC 409203691 YIAROWPVWXPVPL-VBKFSLOCSA-N 365.451 3.557 0 40 FHAB Cn1ncc2c(C(=O)Nc3cccnc3Cl)cc(-c3ccccc3)nc21 36616013 NAUSZFMEJQPARF-UHFFFAOYSA-N 363.808 3.936 0 40 FHAB CC[C@@H](Oc1ccccc1)C(=O)NCc1cccc(CN2CCCC2)c1 32462561 HUUNDNKTPFWJAC-OAQYLSRUSA-N 352.478 3.756 0 40 FHAB Cc1nc2c(-c3ccccc3)nc(SCNC(=O)C(C)C)nc2s1 35682645 BNZQNSOTRRHPJH-UHFFFAOYSA-N 358.492 3.884 0 40 FHAB COc1ccccc1-c1ccc(=O)n(CN2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)n1 72403142 AISXYADEAKLWAX-AOMKIAJQSA-N 367.493 3.777 0 40 FHAB Cc1ccc(CCCNC(=O)COc2ccc(Br)cc2)cc1 218816366 PATXJHRQKTXCGN-UHFFFAOYSA-N 362.267 3.885 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)cc1F 32591091 MNACMNISCFJRGR-UHFFFAOYSA-N 365.426 3.957 0 40 FHAB C[C@@H](O)c1ccc(NC(=O)c2ccccc2I)cc1 226272963 ZEVRUVGBXHGYQC-SNVBAGLBSA-N 367.186 3.597 0 40 FHAB O=C1CCCN1c1ccc(NC(=S)NCCCc2ccccc2)cc1 225385440 COJRTKSIQGUVOY-UHFFFAOYSA-N 353.491 3.733 0 40 FHAB CC1CCN(CC(=O)N2N=C(c3ccsc3)C[C@H]2c2ccco2)CC1 226791862 KMIKMHZHSURQOJ-KRWDZBQOSA-N 357.479 3.751 0 40 FHAB COc1ccc(C(=O)N2CC[C@H](Oc3ccc4ccccc4n3)C2)cc1F 225739504 WLVBCIAOLBCBGL-INIZCTEOSA-N 366.392 3.676 0 40 FHAB CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc3ccccc3c2)cc1 222779961 MPFWMNXJSUISKJ-UHFFFAOYSA-N 368.458 3.531 0 40 FHAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)C1CCN(Cc2ccc(Cl)cc2F)CC1 225577000 IZFVSTLWSVWYOC-OHNRDTAOSA-N 364.892 3.996 0 40 FHAB COC[C@H](C)NC(=O)c1ccc(OC)c(COc2cccc(Cl)c2)c1 224152812 MTCCGFNHLHBZEQ-ZDUSSCGKSA-N 363.841 3.692 0 40 FHAB Cc1cccc(OCC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)c1 98212241 VUNNLSFIUHVLCE-GOSISDBHSA-N 363.417 3.788 0 40 FHAB Cc1cc(F)cc(NS(=O)(=O)c2ccc(Br)c(F)c2)c1 95067882 ZUDFCBBKEDMJRE-UHFFFAOYSA-N 362.195 3.837 0 40 FHAB COc1cccc(-c2nn(C)c3c2[C@H]2CN(C(=O)c4ccccc4)C[C@H]2C3)c1 96145650 BUOYZDRTZGVSCB-MJGOQNOKSA-N 373.456 3.508 0 40 FHAB O=C(c1cnccn1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257296005 RAUSSKSTSBNTGV-GOSISDBHSA-N 366.396 3.562 0 40 FHAB CC(C)(C)n1ncnc1CN(Cc1ccc2c(c1)CCO2)C1CCCC1 585080143 ZYMGKPJWZXYWLS-UHFFFAOYSA-N 354.498 3.913 0 40 FHAB CC(C)N1CCC(Cc2cnc(-c3cc(F)ccc3C(=O)O)cn2)CC1 257334075 YEKJUVMEDNUTTD-UHFFFAOYSA-N 357.429 3.644 0 40 FHAB CCO[C@@](C)(CC)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1 260812421 BFBBFILPLDMGKM-UWJYYQICSA-N 362.514 3.941 0 40 FHAB CC1=CC(C)(C)N2C(=O)[C@@](O)([C@@H]3CCCCCC3=O)c3cc(F)cc1c32 1740816449 HGMPVNYXQMLSRV-QVKFZJNVSA-N 357.425 3.705 0 40 FHAB COc1cc(OC)cc(-c2nn3c(CSC(C)C)nnc3s2)c1 1776110968 CGZOQWQPTAWVTD-UHFFFAOYSA-N 350.469 3.512 0 40 FHAB CO[C@H]1CCCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)C1 96122447 KZPGJPAGSAHSIO-IBGZPJMESA-N 374.868 3.973 0 40 FHAB Cc1ccc2c(c1)CN(C(=O)N[C@@H](C)[C@@H]1OCCc3sccc31)CCO2 644543601 XXQIXPUSPXPTKE-LIRRHRJNSA-N 372.490 3.663 0 40 FHAB CC(C)Oc1ccccc1C(=O)[C@@H](Br)CBr 394686987 INLNLDJLASOERI-JTQLQIEISA-N 350.050 3.815 0 40 FHAB C[C@@H](CC(F)(F)F)N[C@H](CN(C)C1CCN(C)CC1)c1ccccc1 97228347 FPXBYKNMENJQSI-MAUKXSAKSA-N 357.464 3.684 0 40 FHAB C[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)C12CC3CC(CC(C3)C1)C2 5443843 JDWMRIKWMPBCHB-DFLMZXFUSA-N 355.478 3.721 0 40 FHAB C[C@@H](OC(=O)c1ccc(Br)cc1)c1nc2ccccc2c(=O)[nH]1 5665621 UUMTWBVYJHBMNP-SNVBAGLBSA-N 373.206 3.604 0 40 FHAB Cc1cc2nnc(S[C@@H](C)C(=O)N3CCCCC3)n2c2ccccc12 5885607 WGUQBZCHSHICAZ-AWEZNQCLSA-N 354.479 3.684 0 40 FHAB Cc1ccc2c(c1)CN(C(=O)c1ccc(C)s1)CC1(CCN(C)CC1)O2 12228243 SIMPDIVWTYKQLP-UHFFFAOYSA-N 370.518 3.864 0 40 FHAB O=C(CN1CCN(c2ccccc2Cl)CC1)Nc1cccc(Cl)c1 13056910 QOGLKAZSHPRSCB-UHFFFAOYSA-N 364.276 3.754 0 40 FHAB CCOC(=O)c1cccc(NC(=O)CCCOc2ccc(OC)cc2)c1C 13671058 ABCUOKPCJRBFLI-UHFFFAOYSA-N 371.433 3.978 0 40 FHAB Cc1cc(C)c2nc(NC(=S)NC(=O)Cc3ccccc3)sc2c1 14257668 QITBMUJOSDTECP-UHFFFAOYSA-N 355.488 3.969 0 40 FHAB Cc1cc(C)n(CCCN(C)Cc2c(C)nn(-c3ccc(F)cc3)c2C)n1 19719802 IEBQMQAJIQJSDY-UHFFFAOYSA-N 369.488 3.964 0 40 FHAB Cc1cc2ncc3c(n2n1)CCN(C(=O)c1ccc(-c2cccs2)cc1)C3 208036386 JLKFANGUOHEWPJ-UHFFFAOYSA-N 374.469 3.965 0 40 FHAB O=C(Cc1c(F)cccc1Cl)NC[C@H]1CCCN(c2nccs2)C1 206834382 VVIUTZREMJHKEA-GFCCVEGCSA-N 367.877 3.511 0 40 FHAB Brc1ccc(CN2CC[C@H]3CN(c4ccccn4)C[C@H]32)s1 1888847519 PMLQVHFIOIIHHJ-GXTWGEPZSA-N 364.312 3.616 0 40 FHAB FC(F)(F)c1ccc(N2CC[C@H](COc3ccc(C4CC4)nn3)C2)cn1 1888850059 BOXUSJNIGPPYKW-LBPRGKRZSA-N 364.371 3.673 0 40 FHAB COc1ccc(CC(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc1 4033040 DMZYURJRKJSCIS-UHFFFAOYSA-N 358.401 3.586 0 40 FHAB CCCCn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(OC)ccc21 4193320 MEDFLWJDXJLZKF-UHFFFAOYSA-N 371.458 3.643 0 40 FHAB O=C(Nc1ccc(F)c(Cl)c1)c1cccn(Cc2ccccc2)c1=O 4940278 NLQLWQWULVUSAX-UHFFFAOYSA-N 356.784 3.941 0 40 FHAB Cc1ccc(Cl)cc1-n1nnc(-c2nc(-c3ccccc3F)no2)c1N 5043280 MKKNPOTYGUIKAK-UHFFFAOYSA-N 370.775 3.667 0 40 FHAB CNC(=O)CSc1ncc(-c2ccc(C)cc2)n1-c1ccccc1C 44086813 QTPXDSVAGPDTJU-UHFFFAOYSA-N 351.475 3.994 0 40 FHAB COc1ccc(-c2nc(-c3nnn(Cc4ccc(C)cc4)c3C)no2)cc1 49410236 PXXHTCVWHRNIBE-UHFFFAOYSA-N 361.405 3.669 0 40 FHAB O=C(NCC1CCN([C@@H]2CCOC2)CC1)c1ccc(-c2ccsc2)cc1 575615966 KARAXEPWUPFOHI-HXUWFJFHSA-N 370.518 3.646 0 40 FHAB O=C(NCCC1=CCCCC1)C(=O)NCc1ccc(-c2ccsc2)o1 575611867 YXKZRQJHNGDQQY-UHFFFAOYSA-N 358.463 3.631 0 40 FHAB O=C(CCc1ccccc1Br)NCc1cncc(C2CC2)c1 575605814 BJYWSOUQHZMSMP-UHFFFAOYSA-N 359.267 3.971 0 40 FHAB O=C(Nc1ccc2ncccc2c1)c1cc(OCc2ccccc2)ncn1 585356439 BPGMXQGDQLUSLH-UHFFFAOYSA-N 356.385 3.856 0 40 FHAB Cc1ccc(CC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c(C)c1 5268019 NRCSREFTSQZARS-LBPRGKRZSA-N 356.491 3.770 0 40 FHAB CC(C)c1cccc2cc(CNCCc3ccc4c(c3)OCO4)c(=O)[nH]c12 13998784 DFYCCOKJZAUDMT-UHFFFAOYSA-N 364.445 3.713 0 40 FHAB C[C@H](C(=O)Nc1ccccc1)S(=O)(=O)Cc1ccc(Cl)cc1Cl 40060026 ANMAIZQBSVRPPN-LLVKDONJSA-N 372.273 3.935 0 40 FHAB Cc1nc(COc2ccc(C(=O)N3CCC[C@@H]3c3ccsc3)cc2)no1 40107699 QAUHBUGRFMDLIX-QGZVFWFLSA-N 369.446 3.996 0 40 FHAB Fc1ccc(-n2ncc3c2ncn2nc(-c4ccccc4Cl)nc32)cc1 2432496 QWHVVEMIPALIDR-UHFFFAOYSA-N 364.771 3.923 0 40 FHAB Cc1c(NC(=O)c2ccc(F)cc2Cl)c(=O)n(-c2ccccc2)n1C 17303249 OZZGRAOTSQSZPA-UHFFFAOYSA-N 359.788 3.529 0 40 FHAB CCc1ccc([C@@H](NC(=O)c2cccc(CS(C)(=O)=O)c2)C(C)C)cc1 36784033 JURBOGQTJFDIGN-FQEVSTJZSA-N 373.518 3.921 0 40 FHAB COc1cc(NC(=O)c2cc(C)n(C3CC3)c2C)ccc1N1CCCC1=O 11447145 GTKLBSJGBABNGO-UHFFFAOYSA-N 367.449 3.828 0 40 FHAB Cc1cc(C)c2c(c1)cc(C)c1nnc(SCC(=O)NC(C)(C)C)n12 929764 VVTVIWGLLLKWJL-UHFFFAOYSA-N 356.495 3.815 0 40 FHAB COc1ccc(CNC(=O)CSc2ccc(Cl)cc2)cc1OC 3148416 XVWNKQNCHLPTAE-UHFFFAOYSA-N 351.855 3.766 0 40 FHAB COc1ccc(NC(=O)[C@H]2CC(O)=Nc3c(-c4ccccc4)cnn32)cc1 20714830 GZRLZJKKQJUHQZ-QGZVFWFLSA-N 362.389 3.730 0 40 FHAB CCOc1ccc(-c2nc(C)c(C(=O)N3CCC(N(C)C)CC3)s2)cc1 72027816 GNWGEUNVONUUCJ-UHFFFAOYSA-N 373.522 3.683 0 40 FHAB COc1ccc([C@H]2c3cc(OC)c(OC)cc3C[C@@H]3COC[C@@H]32)cc1OC 4782959 MNYFJOSGQNXLHS-ZWWNWMABSA-N 370.445 3.672 0 40 FHAB O=C(COc1ccc(Br)cc1)N1CCSc2ccccc21 21331636 OTCDRGSQQXANCW-UHFFFAOYSA-N 364.264 3.967 0 40 FHAB Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NCc1ccco1 8567160 CEWYUNFOKRDXST-LBPRGKRZSA-N 352.228 3.743 0 40 FHAB COc1ccc(CN2C(=S)N[C@@H]3C[C@]2(C)Oc2c(OC)cccc23)cc1 101184779 MSJOYHFZLFADIA-UZLBHIALSA-N 370.474 3.634 0 40 FHAB COc1ccc(CCN2C(=O)C[C@@H](Nc3ccc4ccccc4c3)C2=O)cc1 2660209 UUCNCHYOSCPQKW-OAQYLSRUSA-N 374.440 3.631 0 40 FHAB C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C1CC1)c1ccc(-c2ccccc2)cc1 32827242 QLOUMEIQTBRCNK-IERDGZPVSA-N 362.473 3.932 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1C 8040941 DAAYEIOPLMDPAD-MRXNPFEDSA-N 354.450 3.849 0 40 FHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)cc1 8413770 DFGVIBBIQHQCAV-UHFFFAOYSA-N 374.824 3.549 0 40 FHAB COc1cc(CNC[C@H](C)O)ccc1OCc1c(F)cccc1Cl 8497961 QRXBIUOYOXHVTF-LBPRGKRZSA-N 353.821 3.537 0 40 FHAB CC[C@H](C)NC(=O)CSc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 8692771 GGXJYBVCEFCUQL-NSHDSACASA-N 373.503 3.658 0 40 FHAB CCCCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1Br 8564058 HSZYFDVVYRVHQW-CYBMUJFWSA-N 356.260 3.537 0 40 FHAB NC(=O)c1c(NC(=O)c2cc(F)ccc2F)sc2c1CCCCC2 2747899 QGLCVBLHBFEJBV-UHFFFAOYSA-N 350.390 3.646 0 40 FHAB CN1CCN(Cc2ccccc2C(=O)c2ccccc2C(F)(F)F)CC1 22028222 LBCHWGCIMIQCMU-UHFFFAOYSA-N 362.395 3.684 0 40 FHAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1cnc2sccn2c1=O 46793256 QVHSDPNAGLZMNF-UHFFFAOYSA-N 362.414 3.752 0 40 FHAB c1nc(NCC2(N3CCOCC3)CCCCC2)c2c3c(sc2n1)CCC3 22344195 GVHOLGYAXZPFQI-UHFFFAOYSA-N 372.538 3.627 0 40 FHAB CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 103717830 SKIKYVFNECDADB-CQSZACIVSA-N 356.397 3.606 0 40 FHAB C[C@@H]1CN(Cc2ccccc2F)CCN1CC1=Cc2ccccc2OC1 57731467 GTJCANRNFDUFEI-QGZVFWFLSA-N 352.453 3.808 0 40 FHAB Cc1sc2ncn(CCC(=O)N[C@@H](C)CCCC(C)C)c(=O)c2c1C 23395768 ZZVSSKLWNYFJSC-ZDUSSCGKSA-N 363.527 3.796 0 40 FHAB O=C(NCCc1cccs1)c1cnc2c(C(F)(F)F)cccc2c1O 12421869 VEDSMBUUUOVWFX-UHFFFAOYSA-N 366.364 3.993 0 40 FHAB Cc1cccc(OCC(=O)Nc2ccc(I)cc2)c1 3040146 QXKZPUPHLMVLRM-UHFFFAOYSA-N 367.186 3.617 0 40 FHAB CCO/C=C/[C@](O)(CNC(=O)c1ccc(C(C)(C)C)cc1)C(F)(F)F 3188624 CROAVWDYOGGVPY-DVQDXYAYSA-N 359.388 3.558 0 40 FHAB O=C(Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1)[C@H]1CCCO1 24833283 CTVQQGLXVDZHCF-CYBMUJFWSA-N 372.368 3.750 0 40 FHAB O=C(OCc1nccn1C(F)F)c1csc(NCc2ccccc2)n1 12532415 CZYUFDAJMXQUNL-UHFFFAOYSA-N 364.377 3.704 0 40 FHAB C[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1cccc(Cl)c1 25455236 FLXGOYLBHSYBTJ-CQSZACIVSA-N 356.853 3.953 0 40 FHAB CCC(=O)N[C@H](CCSC)C(=O)N[C@H](C)c1oc2ccccc2c1C 57036482 WBUYZKKQLMIFAC-UKRRQHHQSA-N 362.495 3.566 0 40 FHAB Cc1cc(NC(=O)c2cc(Cl)c3c(c2)OCO3)n(Cc2ccccc2)n1 44048282 UCSCWLTYWYYDKR-UHFFFAOYSA-N 369.808 3.874 0 40 FHAB Cc1csc2nc(CN[C@H](c3ccc(Cl)cc3)C3CC3)cc(=O)n12 57157870 KDQZCRFAWPJXCQ-KRWDZBQOSA-N 359.882 3.959 0 40 FHAB O=C(NC1CCCCCC1)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12 57181183 ZYOKZPKQNVDBGI-GOSISDBHSA-N 371.506 3.522 0 40 FHAB COc1cccc(CCC(=O)N(C)c2nc3ccccc3s2)c1OC 26964103 NJHNHBZMGWDVGK-UHFFFAOYSA-N 356.447 3.909 0 40 FHAB O=C(NCCc1ccccc1)C1CCN(C(=O)c2ccccc2Cl)CC1 20612060 NAQAPQGZSMILTJ-UHFFFAOYSA-N 370.880 3.551 0 40 FHAB COc1ccc(-c2cc(NC(=O)[C@H]3CCOC3)ccc2OC(F)F)cc1 58174379 OEFGHDAVMQADBA-ZDUSSCGKSA-N 363.360 3.939 0 40 FHAB C[C@H](Nc1ccc(OCc2ccccn2)c(Cl)c1)C(=O)N1CCCC1 58180025 XALPBXLIYFGFAD-AWEZNQCLSA-N 359.857 3.737 0 40 FHAB O=C(Nc1ccccc1)[C@@H](NCc1nc(-c2ccco2)no1)c1ccccc1 58267884 IHMIXZZCGLRNOU-IBGZPJMESA-N 374.400 3.799 0 40 FHAB O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)c1cc2c(s1)CCC2 58225528 UYVFMXAXPPURRI-UHFFFAOYSA-N 354.431 3.533 0 40 FHAB COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCC(C)C 3297150 UILPGFXSFIZJFL-CYBMUJFWSA-N 353.463 3.952 0 40 FHAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1ccc(Br)cc1 27846629 YKSLZXRTKUYKOJ-AWEZNQCLSA-N 359.267 3.705 0 40 FHAB O=C(COC(=O)c1ccccc1Br)NC1CCCCCCC1 3265332 RIEVBBVOVFWUCF-UHFFFAOYSA-N 368.271 3.835 0 40 FHAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)ccc21 64947106 DNNZEGOPEKYGHC-UHFFFAOYSA-N 362.476 3.501 0 40 FHAB CCOCc1ccccc1NC(=O)c1cn(-c2ccccc2Cl)nn1 58697358 AHUYCGLZLYSIBQ-UHFFFAOYSA-N 356.813 3.710 0 40 FHAB CCOC(=O)N[C@H](N(O)c1cccc(Cl)c1)C(Cl)(Cl)Cl 2311873 GGHPUKQPXKBPOZ-SECBINFHSA-N 362.040 3.978 0 40 FHAB C[C@H](Sc1nncn1C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 3359391 DZRPTZBENXGSTL-ZETCQYMHSA-N 364.780 3.607 0 40 FHAB CCOC(=O)c1ccoc1COC(=O)c1csc(-c2ccccc2)n1 17984508 PSOKPZZMBFGZGQ-UHFFFAOYSA-N 357.387 3.937 0 40 FHAB Cc1cccc(N2CCN(C(=O)[C@@H](C)OCc3ccccc3)CC2)c1C 48301007 DKUURUQTWHJCKU-LJQANCHMSA-N 352.478 3.557 0 40 FHAB Cc1cc(C(=O)CSc2ncn[nH]2)c(C)n1Cc1ccccc1Cl 3450484 VXCUUHYELLDROG-UHFFFAOYSA-N 360.870 3.900 0 40 FHAB Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1C 3482233 MFWRICJXEGKTCZ-UHFFFAOYSA-N 372.490 3.730 0 40 FHAB NC(=O)[C@@H](OC(=O)c1ccccc1COc1ccccc1)c1ccccc1 12934926 LZTUYDUMYZGSRN-FQEVSTJZSA-N 361.397 3.649 0 40 FHAB Brc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)s1 49548829 JSSHJTGRCQXFRE-UHFFFAOYSA-N 364.253 3.739 0 40 FHAB CCOC(=O)Nc1ccc2c(COC(=O)c3ccccc3)cc(=O)oc2c1 6086166 BYGDDKASNVVJFZ-UHFFFAOYSA-N 367.357 3.718 0 40 FHAB O=C(Nc1cccc2cccnc12)c1ccc(Cn2cc(Cl)cn2)o1 27982320 YDYBKTRHUQJJMF-UHFFFAOYSA-N 352.781 3.978 0 40 FHAB COc1ccccc1C(=O)OCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 5078920 CCQMHAUOTYXZAR-XSXQVXRUSA-N 371.477 3.573 0 40 FHAB C[C@]1(CCc2ccccc2)NC(=O)N(CCOc2ccc(Cl)cc2)C1=O 4288552 BOXHDXDWXCRQIY-HXUWFJFHSA-N 372.852 3.662 0 40 FHAB COCCCn1c(N)c(-c2nc3ccccc3[nH]2)c2nc3ccccc3nc21 5207801 OSKCALWPKMGIFL-UHFFFAOYSA-N 372.432 3.747 0 40 FHAB CCc1noc(C)c1C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 8769095 YMFIGVSQOGNXLK-UHFFFAOYSA-N 357.391 3.650 0 40 FHAB NC(=O)c1ccc(CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1 14136276 SLJNWXVRXLLGEE-UHFFFAOYSA-N 350.447 3.536 0 40 FHAB COC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1 14209536 FRPDJMSMXYMCMJ-UHFFFAOYSA-N 350.374 3.700 0 40 FHAB Cc1ccc(N2CCN(CC(=O)Nc3ccc(C)c(C)c3)C[C@@H]2C)cc1 14216375 HWTNKQWGNGKXQV-IBGZPJMESA-N 351.494 3.761 0 40 FHAB CSc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2C)c1 4691003 QPOWSCDQLSJDGN-UHFFFAOYSA-N 370.503 3.935 0 40 FHAB C[C@@H]1CCC[C@@H](NC(=O)CSc2nnc(-c3cccs3)o2)[C@@H]1C 5829578 STACTNWNQXRPHF-IJLUTSLNSA-N 351.497 3.831 0 40 FHAB O=C(CCCc1c[nH]c2ccccc12)N1CCN(c2ccc(F)cc2)CC1 6920078 ZDPMFCDPEQYOJJ-UHFFFAOYSA-N 365.452 3.979 0 40 FHAB C[C@@H](Oc1ccc(C(N)=O)cc1)C(=O)Nc1ccccc1-c1ccccc1 7191795 XYAQTCWNXWFDBO-OAHLLOKOSA-N 360.413 3.859 0 40 FHAB CC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1 7221722 SFUNDMAAJXHCMQ-SECBINFHSA-N 351.328 3.501 0 40 FHAB O=C(Nc1ccc(SC(F)F)cc1)[C@@H]1CC(=O)N(C2CCCC2)C1 7399534 MFUDNAOKFJITSS-LLVKDONJSA-N 354.422 3.731 0 40 FHAB CC(=O)N[C@@H]1C(=O)N(CCCOc2cccc(C)c2)c2c(C)cc(C)cc21 8047831 SVAUNLNIFHZQES-FQEVSTJZSA-N 366.461 3.605 0 40 FHAB COc1ccc(CN(C(=O)c2cccc(N3CCCC3=O)c2)C2CC2)cc1 8165395 HDGVQCPXLWJWES-UHFFFAOYSA-N 364.445 3.627 0 40 FHAB COc1cn(-c2ccccc2)nc1C(=O)Nc1cc2c(cc1Cl)OCO2 9530914 IFYVGOSWKHRKAT-UHFFFAOYSA-N 371.780 3.515 0 40 FHAB COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(Cl)cc1)N(C)CC3)OCO2 19942988 MBYDROYCUIVSIZ-OAHLLOKOSA-N 373.836 3.879 0 40 FHAB biogenic O=C(Nc1cccc(COC2CCCCC2)c1)[C@H]1CCc2nccn2C1 97165146 CLEABEBBVYCXMH-KRWDZBQOSA-N 353.466 3.934 0 40 FHAB CCOc1ccccc1O[C@@H]1CCC[C@H]1NC(=O)c1c[nH]c(C(C)C)n1 72304278 FBPUJQCGBLDGML-GDBMZVCRSA-N 357.454 3.662 0 40 FHAB COc1ccc(Br)cc1CN1CCC[C@H]1CN1CCCC1 95394196 IHCICUHXTRFEFK-INIZCTEOSA-N 353.304 3.518 0 40 FHAB CC(C)(C)OC(=O)c1ccnc(N2CCO[C@@H](c3ccc(F)cc3)C2)c1 95997090 UWOHNMUILFNOHM-QGZVFWFLSA-N 358.413 3.754 0 40 FHAB CN(CC(=O)N(Cc1ccco1)c1ccccc1)C(=O)c1ccsc1 95957382 KCNJGSBOWNIOGO-UHFFFAOYSA-N 354.431 3.647 0 40 FHAB Cc1cc(C(=O)COC(=O)CCC(=O)N[C@H](C)c2ccccc2)c(C)s1 89582290 URRNHTJHOCDSDP-CQSZACIVSA-N 373.474 3.748 0 40 FHAB CN(C)C(=O)c1ccc(F)c(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)c1 79055253 KJRZYOOPASASGK-HUUCEWRRSA-N 360.816 3.923 0 40 FHAB CN(C(=O)c1scnc1C(C)(C)C)[C@@H]1CCCN(c2ccccc2)C1=O 176848358 GVQBDZBULBRJRT-OAHLLOKOSA-N 371.506 3.708 0 40 FHAB Cc1nnc(SCC(=O)N2c3ccccc3S[C@@H]3C=CC=C[C@@H]32)s1 408541385 APJUWSZLYKEQDD-GXTWGEPZSA-N 373.528 3.941 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(N3CCCC3=O)cc2)c1 36140812 WQSGKJADXFHYBQ-UHFFFAOYSA-N 372.808 3.506 0 40 FHAB COc1ccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc(F)cc3)C2)cc1 35314070 RRPHUFWKPPETRT-AWEZNQCLSA-N 371.412 3.717 0 40 FHAB CCC(=O)N1CCC(Cc2ccccc2-c2ccccc2)(C(=O)NC)CC1 72345095 WFZDALCJIQDHCH-UHFFFAOYSA-N 364.489 3.661 0 40 FHAB COc1ccccc1C1(NC(=O)c2cc(C(C)(C)C)nn2C)CCCC1 72346499 GVPGKKZKOBCXHW-UHFFFAOYSA-N 355.482 3.926 0 40 FHAB COc1cccc(CNCC(=O)Nc2ccc(N3CCCCCC3)cc2)c1 35311471 FYBSXZSGOAWOGQ-UHFFFAOYSA-N 367.493 3.804 0 40 FHAB O=C(NCCC(=O)N1CCCc2ccccc21)c1ccc(Cl)cc1F 40122532 GBXZSQYZKSCFKN-UHFFFAOYSA-N 360.816 3.578 0 40 FHAB O=C(Nc1ccc(F)c(C(=O)N2CCCC2)c1)c1ccc2cc[nH]c2c1 79494874 BKYDHZQFUOLUTC-UHFFFAOYSA-N 351.381 3.795 0 40 FHAB CC(C)(C)c1ccccc1OCC(=O)NCc1nc(-c2ccccc2)no1 43996321 JAZHKLUVHXGSAB-UHFFFAOYSA-N 365.433 3.729 0 40 FHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(Br)cs1 222769675 SCFUPUIWWYCFLK-QWHCGFSZSA-N 368.325 3.898 0 40 FHAB Cc1cc(CC(C)(C)C(=O)N2Cc3cncnc3C2)ccc1Br 568228801 LFAFAEMPFHWMOC-UHFFFAOYSA-N 374.282 3.659 0 40 FHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CCN(c2ccccc2)CC1 44903833 JCVNGOIPUQMEMO-HXUWFJFHSA-N 352.478 3.810 0 40 FHAB C[C@@H](NC(=O)c1cn2c3c(cccc3c1=O)CC2)c1ccc(Cl)cc1 223093481 VJVYQQAVVIYNDS-GFCCVEGCSA-N 352.821 3.702 0 40 FHAB C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc(F)cc1Br 40108296 SEFOHVZRMINTBN-XHDPSFHLSA-N 358.251 3.913 0 40 FHAB CCCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(C)=O 223048771 VXCKACYNMBCWPO-JOCHJYFZSA-N 366.505 3.953 0 40 FHAB COc1ccc(C2(NC(=S)Nc3ccc(OC)nc3)CCCC2)cc1 225874854 XYCZNJCYNUEDIJ-UHFFFAOYSA-N 357.479 3.855 0 40 FHAB Cc1cccc(NC(=O)CCNC(=O)c2ccc3oc(Cl)nc3c2)c1 225979808 SRXQUWRJAKKSGV-UHFFFAOYSA-N 357.797 3.548 0 40 FHAB COC(=O)c1cc(NC(=S)NCc2ccccc2F)ccc1Cl 225835720 XOTZYQJQQVXCQA-UHFFFAOYSA-N 352.818 3.752 0 40 FHAB CC(C)(C)c1ccc(OC[C@H](O)CNC2CCN(C(C)(C)C)CC2)cc1 575981495 ONKSVXNIEMTBGS-LJQANCHMSA-N 362.558 3.576 0 40 FHAB O=C(N[C@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21)c1ccco1 96242812 VOBIOMDVNOVJMK-SFHVURJKSA-N 366.461 3.778 0 40 FHAB O=C(c1ccncc1)N1CC[C@@H](OCC2CC2)[C@@H](Cc2ccccc2)C1 96110290 BDIWZQQDGHNTGN-LEWJYISDSA-N 350.462 3.582 0 40 FHAB CCN(C)C(=O)c1ccc2ccc(N(C)Cc3ccc(OC)cc3)n2c1 96146173 IKATYUQBBUFDRK-UHFFFAOYSA-N 351.450 3.676 0 40 FHAB COCCCNC(=O)c1ccn(-c2ccc3ccc(-c4ccccc4)cn23)n1 96038074 SWQQSBSWQGJIKT-UHFFFAOYSA-N 374.444 3.558 0 40 FHAB COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(Cl)c1Cl 96619173 XBYZOJDZKZIHNI-UHFFFAOYSA-N 354.189 3.661 0 40 FHAB Cc1ccccc1CN1CCC2(CC1)C[C@H](OCc1ccccn1)CO2 96106914 NNKMDTWITBPKKC-NRFANRHFSA-N 352.478 3.730 0 40 FHAB O=C(O)c1ccccc1-c1cnc(CN2CCC[C@@H]2c2cc[nH]n2)s1 257276944 NVUOYCDRBPXGDB-OAHLLOKOSA-N 354.435 3.569 0 40 FHAB O=C(Cc1ccccc1Cl)NC[C@@H](O)c1ccc(-c2ccco2)cc1 1775966768 YCYNMSOMZBROBF-GOSISDBHSA-N 355.821 3.992 0 40 FHAB CCN(Cc1ccccc1NC(=O)N1Cc2ccc(OC)cc2C1)C(C)=O 653937824 ZSOBYNFUSPMBPX-UHFFFAOYSA-N 367.449 3.611 0 40 FHAB C[C@@H]1CCCN(C(=O)c2nc3c(o2)CCN([C@H](C)c2ccccc2)C3)C1 585112913 WQGBQQBKQGBLIA-HZPDHXFCSA-N 353.466 3.666 0 40 FHAB CCOC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 784409273 OMRMQCYVFWCOGP-CYBMUJFWSA-N 372.259 3.968 0 40 FHAB CC1(C)Cc2n[nH]cc2CN(C(=O)Nc2cc(-c3ccccc3F)on2)C1 663182636 NMJHLHSOTOJPTM-UHFFFAOYSA-N 369.400 3.820 0 40 FHAB O=C(CSc1nc(-c2ccccc2)n[nH]1)N1CCCc2ccccc21 5210248 AJTSCIPXBOTXPJ-UHFFFAOYSA-N 350.447 3.543 0 40 FHAB CC(=O)c1cc(C(=O)N2Cc3ccccc3OC3(CCOCC3)C2)cs1 12121952 LYFITVJFAYMELH-UHFFFAOYSA-N 371.458 3.535 0 40 FHAB CN(CCc1ccccn1)c1ncc(-c2ncc[nH]2)c(-c2ccc(F)cc2)n1 12221356 FJEBPFRCVWJDAM-UHFFFAOYSA-N 374.423 3.747 0 40 FHAB COc1ccc([C@@H]2[C@@H](NCC3=CCCOC3)[C@H]3CCCC[C@H]32)cc1OC 12329291 WWULQMSBMWWTIV-KSCDAYEDSA-N 357.494 3.912 0 40 FHAB Cc1cccc(OCC(=O)NC[C@@H](c2ccc(C)o2)N2CCC(C)CC2)c1 15860301 GXMQJEDPOWIDSD-FQEVSTJZSA-N 370.493 3.865 0 40 FHAB Nc1cccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1 17994665 QRVFDKCVLVAUQQ-JQBYJRRVSA-N 366.420 3.665 0 40 FHAB C[C@H](NC(=O)C[C@H](C)n1nnc2ccccc21)c1ccc2c(c1)CCCO2 19455402 GALRSZDQVQXDMR-GJZGRUSLSA-N 364.449 3.585 0 40 FHAB C[C@H](Oc1ccc(F)cc1)C(=O)NCCc1nc(C(C)(C)C)cs1 19661388 LZXNRPRFFUXRLX-LBPRGKRZSA-N 350.459 3.706 0 40 FHAB COc1ccc(Br)cc1C(=O)n1c(C)c(CO)c2ccccc21 226367205 PKQJOAVCIPPSCR-UHFFFAOYSA-N 374.234 3.902 0 40 FHAB NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCN(Cc2ccccc2)C1 19371772 XCWSWUMNGYESFL-XMMPIXPASA-N 371.484 3.669 0 40 FHAB COc1ccc(CN(Cc2cccc3ncccc23)C[C@H](C)O)cc1OC 19456007 KFXGLOCRYWREDQ-INIZCTEOSA-N 366.461 3.635 0 40 FHAB CN(C)[C@H](C(=O)Nc1ccc(CN2CCCC2)cc1)c1ccc(F)cc1 19661321 REQXUKJCLTVBOV-FQEVSTJZSA-N 355.457 3.663 0 40 FHAB COc1cc(/C=C/C(=O)O[C@H](C)C(=O)c2ccccc2)cc(OC)c1OC 1948865 JJQAUGAPGAJCOT-PLSXKVAHSA-N 370.401 3.540 0 40 FHAB O=S(=O)(N[C@H](c1cccs1)C1CCOCC1)c1cccc(Cl)c1 1565523069 FXZAUZZHPNFEBP-INIZCTEOSA-N 371.911 3.848 0 40 FHAB CCc1cc2c(N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)ncnc2s1 784787 IHQWTPNYEXSLAE-MRXNPFEDSA-N 366.446 3.843 0 40 FHAB O=C(O)c1ccccc1-c1nc2c3c4c(sc3ncn2n1)CCCC4 1294145 MQHABPDMVLLRRC-UHFFFAOYSA-N 350.403 3.583 0 40 FHAB O=C(CSc1ccc(-c2cccnc2)nn1)Nc1ccc(Cl)cc1 4392110 QLRRKAVNPQVRAQ-UHFFFAOYSA-N 356.838 3.923 0 40 FHAB Cc1ccc(C)c(Cn2cccc(C(=O)N3CCc4ccccc43)c2=O)c1 5270133 QCDPQHIICSDWCP-UHFFFAOYSA-N 358.441 3.716 0 40 FHAB CC(=O)c1cc(C(=O)OCC(=O)Nc2cc(C)ccc2C)c2ccccn12 10272897 AZZCPSBDSBIJBA-UHFFFAOYSA-N 364.401 3.554 0 40 FHAB Cc1ccc([C@H](CNC(=O)COc2ccc3ccccc3c2)N(C)C)cc1 10328854 POAXYOITRRCJAG-QFIPXVFZSA-N 362.473 3.946 0 40 FHAB Cc1nc2c(SCC(=O)NC(C)C)nnc(-c3ccccc3)c2s1 12232858 CEMVOHYHNVFWNU-UHFFFAOYSA-N 358.492 3.678 0 40 FHAB O=S1(=O)N=C(SCc2cccc(Cl)c2)Nc2ccc(F)cc21 12361120 RMJGTSCFCWLKFD-UHFFFAOYSA-N 356.831 3.883 0 40 FHAB COc1cccc2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)oc12 20493370 UHKNIAUQEKNCDU-UHFFFAOYSA-N 350.374 3.821 0 40 FHAB Cc1ccc(/C=C/S(=O)(=O)Nc2ccc3onc(CN(C)C)c3c2)cc1 1775971080 VPUUTGOGTGIEPX-ZHACJKMWSA-N 371.462 3.610 0 40 FHAB CCOC(=O)Nc1nc2c(s1)CN(C(=O)c1ccc(Cl)s1)CC2 77196345 TXDOFHDGHAQLKC-UHFFFAOYSA-N 371.871 3.625 0 40 FHAB O=C(N[C@H](CN1CCCC1=O)c1ccccc1)[C@@H]1CCCc2ccccc21 40122152 QWXBJTAHHBNSLT-NHCUHLMSSA-N 362.473 3.586 0 40 FHAB C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(Oc2ccncc2)cc1 50805961 CAHCSJFDFLJPCS-ZDUSSCGKSA-N 367.430 3.692 0 40 FHAB CC(=O)c1ccccc1OC[C@@H](O)Cn1c(C(C)C)nc2ccccc21 810217 AKRJSLBYMTUSRP-INIZCTEOSA-N 352.434 3.802 0 40 FHAB CCn1cc(C(=O)Nc2ccc(F)c(Cl)c2)c(=O)c2ccc(C)nc21 931445 MYVMEQPRFBHZSG-UHFFFAOYSA-N 359.788 3.770 0 40 FHAB CCc1ccc(OCC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1 2592598 RHATUNODWZIQQD-UHFFFAOYSA-N 373.474 3.993 0 40 FHAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)cc1 1459929 YCWLMRNMRRFAPK-MRXNPFEDSA-N 352.434 3.810 0 40 FHAB CC[C@@H]1SC2=NC(C)=C(C(=O)OC)[C@@H](c3ccc(Cl)cc3)N2C1=O 2463392 JVOCKWNHCVYOMY-GXTWGEPZSA-N 364.854 3.552 0 40 FHAB CCCCOC(=O)c1ccc(NC(=O)CSc2nnc(C)s2)cc1 3389139 FJCGSFAMMUUTFZ-UHFFFAOYSA-N 365.480 3.534 0 40 FHAB COc1cc(C(=O)N(C)Cc2cccs2)cc(OC)c1Br 32768379 PSXQZYHFLWRSMV-UHFFFAOYSA-N 370.268 3.800 0 40 FHAB Cc1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2ccccn2)cs1 6681747 RRNZAGRYKUIUAJ-UHFFFAOYSA-N 373.459 3.505 0 40 FHAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)CCc3ccsc3)c2C)no1 7556310 QBBSGFOUIWTNAY-UHFFFAOYSA-N 372.446 3.811 0 40 FHAB Cc1cc2nc(C)c(CCC(=O)OCc3ccc(Cl)cc3)c(C)n2n1 7672538 XZGNDDVAGZMHFB-UHFFFAOYSA-N 357.841 3.984 0 40 FHAB CNC(=O)Nc1ccc(NC(=O)c2sc(-c3ccccn3)nc2C)cc1 32903316 UJXJVKQPIGGHME-UHFFFAOYSA-N 367.434 3.517 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)CCc1nc(-c2cccs2)no1 58093199 SCYMHCZQJQNTQV-CQSZACIVSA-N 355.463 3.868 0 40 FHAB O=C1C[C@@H](C(=O)Nc2ccccc2OC(F)(F)F)c2ccccc2N1 21898781 GTASPWDJXTYXIW-LLVKDONJSA-N 350.296 3.650 0 40 FHAB CC[C@H](NC(=O)c1ccc2c(=O)n(CC)c(S)nc2c1)c1cccs1 103469594 DEHHAMMUHMLILV-ZDUSSCGKSA-N 373.503 3.648 0 40 FHAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccccc1N1CCCC1 22741415 XBAAVKXMZDAOQJ-UHFFFAOYSA-N 354.498 3.937 0 40 FHAB O=C1O[C@@H](C(=O)N(Cc2ccco2)Cc2cccs2)Cc2ccccc21 23228019 MNTMHLNPBRDJRS-GOSISDBHSA-N 367.426 3.652 0 40 FHAB C[C@@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1cccc(Br)c1 22234065 FJZFONFKOBMEJK-LLVKDONJSA-N 371.234 3.782 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)COc2ccc(C)cc2OC)c1 24758642 CVIVOJXGHLXLBP-UHFFFAOYSA-N 359.422 3.819 0 40 FHAB O=C(CCn1cc(Cl)cn1)Nc1ccccc1C(=O)c1ccccc1 27969138 ZOCLMFWQYGFMNM-UHFFFAOYSA-N 353.809 3.796 0 40 FHAB CCCCCCOc1ccc(/C=C/C(=O)NCCCC(=O)O)cc1OC 62714589 DECLAOKUOLMUEQ-ZRDIBKRKSA-N 363.454 3.649 0 40 FHAB O=C(NCc1ccccc1OC(F)(F)F)c1cc(-c2ccccc2)[nH]n1 12558914 KDFQJRMBLAEIEE-UHFFFAOYSA-N 361.323 3.905 0 40 FHAB CCOC(=O)N1CCN(C(=O)Nc2ccccc2-c2cccs2)CC1 43910971 ZVKOLVRVFHHUPE-UHFFFAOYSA-N 359.451 3.721 0 40 FHAB O=C(CSc1nnc(-c2cc3ccccc3o2)o1)Nc1nccs1 26101633 VPBQGESMUCIAJP-UHFFFAOYSA-N 358.404 3.670 0 40 FHAB CCOc1ccccc1NC(=O)c1n[nH]nc1Nc1ccc(C)c(C)c1 57510679 DCMSFVSQPUZORU-UHFFFAOYSA-N 351.410 3.816 0 40 FHAB NC(=O)c1ccc(NCC(=O)Nc2ccccc2C(F)(F)F)cc1Cl 58162977 GDROLKYRMCYJNX-UHFFFAOYSA-N 371.746 3.508 0 40 FHAB CC(C)C[C@H](NC(=O)C[C@@H](NC(N)=O)c1cccs1)c1cccs1 58245076 QJZXUCWPSJMVKP-QWHCGFSZSA-N 365.524 3.813 0 40 FHAB CCOC(=O)COc1cc(C)cc2oc(=O)c(Cc3ccccc3)c(C)c12 3227704 KZJABBCHKYQGCR-UHFFFAOYSA-N 366.413 3.943 0 40 FHAB COCCOc1ccccc1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 10469569 ZXNOALSHSCRTHU-SFHVURJKSA-N 371.433 3.522 0 40 FHAB Cc1ccc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1C 3260781 BSKSTBXKJMIINW-UHFFFAOYSA-N 353.205 3.801 0 40 FHAB CN(CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)Cc1ccco1 12601214 DXCYGYJRGYLFGT-UHFFFAOYSA-N 356.422 3.782 0 40 FHAB CN(c1ccccc1)c1ccccc1NCC(=O)NC(=O)NC1CCCC1 36398125 AEUXDIXFQRCYLG-UHFFFAOYSA-N 366.465 3.635 0 40 FHAB C[C@@H]1CCCN(C(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)C1 12601767 ISEKZURPHDKEEV-QMTHXVAHSA-N 372.412 3.767 0 40 FHAB CCc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)cc1 3346248 VRLNZZAUFPCYKI-FQEVSTJZSA-N 370.836 3.552 0 40 FHAB Cc1ccc(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)nc1 27969819 FRIUDCFYOBOZJV-UHFFFAOYSA-N 371.238 3.650 0 40 FHAB COc1cc(OC)c(C(=O)OCCOc2ccc(Cl)cc2)cc1OC 3370188 MGQUJRDIBROJAA-UHFFFAOYSA-N 366.797 3.602 0 40 FHAB Cc1ccc(C(=O)COC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c(C)c1 3364976 MQSJBSJJHYOPIR-IBGZPJMESA-N 368.429 3.901 0 40 FHAB Cc1ccc(C(=O)c2ccccc2C(=O)NCCc2csc(C)n2)cc1 12764042 WVILELPUYLPXLL-UHFFFAOYSA-N 364.470 3.963 0 40 FHAB CC(=O)Nc1ccc(-c2csc(CC(=O)NCc3ccccc3)n2)cc1 12875509 ZXRFDRXKMKGPPC-UHFFFAOYSA-N 365.458 3.627 0 40 FHAB Cc1ccc(N2C(=O)/C(=C\NCCc3ccco3)c3ccccc3C2=O)cc1 3423328 HYPJZADZDLLTIO-QNGOZBTKSA-N 372.424 3.948 0 40 FHAB O=C(COc1ccc(F)cc1Br)NCCCc1ccccc1 8394368 CPPWRTGJZPVKIK-UHFFFAOYSA-N 366.230 3.716 0 40 FHAB COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4)cc3n2)cc1 3902648 MEEJHICEJXKQDW-UHFFFAOYSA-N 358.401 3.990 0 40 FHAB COc1cccc(-c2nc(C)c(C(=O)N=c3[nH]c4ccccc4[nH]3)s2)c1 13692450 AODVVVHAMGSDEE-UHFFFAOYSA-N 364.430 3.678 0 40 FHAB O=C(Nc1ccc2c(c1)COC2)c1cc(N2CCCC2=O)ccc1Cl 91675715 FCEXGGNGYTUJTM-UHFFFAOYSA-N 356.809 3.749 0 40 FHAB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccccc1OC(F)F 6276760 GBXRHMCAQGZZBF-UHFFFAOYSA-N 370.808 3.997 0 40 FHAB COc1ccc2[nH]cc(C3CCN(C[C@H](O)COC(C)(C)C)CC3)c2c1 65575422 RRMYTTJDIVDDHU-INIZCTEOSA-N 360.498 3.532 0 40 FHAB CCN(CCS(=O)(=O)Oc1ccccc1)Cc1ccc(Cl)s1 14200919 LRYPNMVZESVEHA-UHFFFAOYSA-N 359.900 3.632 0 40 FHAB CC(C)Oc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C(C)C)cc1 5690186 LUNMYWFQMGHIDJ-MRXNPFEDSA-N 361.467 3.969 0 40 FHAB Cc1cccc(C)c1NC(=O)c1nn(-c2ccc(Cl)cc2)ccc1=O 6758991 HTSWRWFBRAFTMU-UHFFFAOYSA-N 353.809 3.755 0 40 FHAB O=C(c1ccc(C2CCCCC2)cc1)N1CCN(C(=O)c2ccco2)CC1 6882368 XFISCRIQEYDGFF-UHFFFAOYSA-N 366.461 3.926 0 40 FHAB CNC(=O)c1ccc(CN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)cc1 66871885 HSHTTZMDMWZJMQ-UHFFFAOYSA-N 363.436 3.956 0 40 FHAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc(F)cc(F)c2)CC1 6931408 MATJJOPCKHNNRM-UHFFFAOYSA-N 350.796 3.889 0 40 FHAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)c1cc(C)c(C)cc1C 6902943 FFTXEPSPGNVARZ-UDWIEESQSA-N 365.429 3.515 0 40 FHAB COc1ccc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)c(F)c1 7414108 WSGJWVGNFMGFJI-UHFFFAOYSA-N 362.744 3.895 0 40 FHAB COCCn1c(C)cc(CNC2CCN(Cc3ccccc3)CC2)c1C 7779656 HQVMJHXMAZZUGR-UHFFFAOYSA-N 355.526 3.506 0 40 FHAB Cc1cc(=O)oc2cc(OCC(=O)c3ccc4c(c3)OCCCO4)ccc12 7897958 GTFTZHBEZXAGFJ-UHFFFAOYSA-N 366.369 3.524 0 40 FHAB COc1ccc(N)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 19736168 HAQHRYSSNZJCQY-VIFPVBQESA-N 355.221 3.990 0 40 FHAB O=C(Nn1c([C@H]2CCCO2)n[nH]c1=S)c1cc2c(F)cccc2s1 9313474 WPIHGJIYALVTLT-SNVBAGLBSA-N 364.427 3.530 0 40 FHAB CCCCC(=O)Nc1nc(-c2ccc3c(c2)N(CC)C(=O)CO3)c(C)s1 19820105 SIGZCFSTFOFOMQ-UHFFFAOYSA-N 373.478 3.993 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)Nc2c(F)cccc2Br)cc1 83843743 CYLJVXHNMUBRDX-UHFFFAOYSA-N 372.215 3.592 0 40 FHAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2ccccc2Cn2ccnc2)o1 29207116 FLLDICOBGRAXQN-UHLKUBKWSA-N 361.445 3.977 0 40 FHAB Cc1cc(C(C)(C)C)cc(C)c1CN1C(=O)N[C@](C)(c2ccccn2)C1=O 78471649 XAVGPDKGOIETGH-JOCHJYFZSA-N 365.477 3.963 0 40 FHAB COc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)cc1 98211318 VVKXEOPGAHZFHL-UHFFFAOYSA-N 374.400 3.852 0 40 FHAB Cc1ccc(SCC(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1 78579132 ZMAJZDKPKYZGQF-UHFFFAOYSA-N 353.447 3.796 0 40 FHAB CCOC(=O)C1CCN(C(=O)[C@@H](CC)Oc2ccc3ccccc3c2)CC1 22525180 BMLABELLLLOCQB-HXUWFJFHSA-N 369.461 3.799 0 40 FHAB CCCn1c(SCc2ccc(OCC)cn2)nnc1-c1ccncc1 75107696 DKWNBSDVVPGWRN-UHFFFAOYSA-N 355.467 3.836 0 40 FHAB Cn1cc(C(=O)Nc2ccccc2C(F)(F)F)c(=O)c2cc(F)ccc21 22236307 XGGLBZQZRAGNJJ-UHFFFAOYSA-N 364.298 3.949 0 40 FHAB O=C(NO[C@@H]1CCCCO1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 60333189 GXJQFNOGFMGOAA-VQTJNVASSA-N 365.433 3.568 0 40 FHAB O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2CN(Cc3cccs3)C[C@H]21 306135291 OMNOJRDGMGDTEL-QFBILLFUSA-N 371.483 3.763 0 40 FHAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OS(C)(=O)=O)cc12 2431598 GNOZIEZAGXQKEQ-UHFFFAOYSA-N 360.387 3.615 0 40 FHAB biogenic CC(C)CCn1cc(C(=O)NCCCn2cccc2)c2ccccc2c1=O 72324977 BZPNUMQEZTTZBO-UHFFFAOYSA-N 365.477 3.669 0 40 FHAB biogenic Cc1nc(Nc2ncccc2C)cc([C@@H]2CCCN2Cc2cccnc2)n1 72360203 PTLDHGBYUMETPO-IBGZPJMESA-N 360.465 3.964 0 40 FHAB c1ccc2[nH]c(CN3CCCC[C@@H]3c3nnc(C4CCOCC4)o3)nc2c1 561966977 DSFMGNHWRVQTPG-QGZVFWFLSA-N 367.453 3.567 0 40 FHAB Cc1ccc(OCCNS(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1 223980382 WYRAWHACIKUUBV-UHFFFAOYSA-N 374.289 3.968 0 40 FHAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1C[C@H]31 226629212 YBZPUNZGOXWAAB-STNJXGOFSA-N 367.754 3.916 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)C1CCN(Cc2ccccc2F)CC1 223340093 VFRVBEKEALMGGI-MRXNPFEDSA-N 370.468 3.924 0 40 FHAB Cc1ccc(NC(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)c(C)c1 224145504 LEHBREYAFBTGNW-UHFFFAOYSA-N 368.485 3.794 0 40 FHAB CCc1cc(S(=O)(=O)Nc2ccccc2Br)ccc1OC 223679186 RSGWXJPYSJMJQM-UHFFFAOYSA-N 370.268 3.821 0 40 FHAB CCOc1ccc(NC(=S)NCc2nc(-c3cccc(C)c3)no2)cc1 225814506 BJOADTOHODBQMK-UHFFFAOYSA-N 368.462 3.930 0 40 FHAB CC(=O)c1cccc(NS(=O)(=O)c2ccc3c4c(cccc24)CC3)c1 226861377 XWYHXIDXTPJHSF-UHFFFAOYSA-N 351.427 3.942 0 40 FHAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)[nH]1 224586288 WZBGOXUVGUPADG-OALUTQOASA-N 364.474 3.904 0 40 FHAB CCOc1ccc(C(=O)N[C@H](C)COc2ccc(OC)cc2)cc1OCC 225064035 OFYBHJJPAPRHHD-OAHLLOKOSA-N 373.449 3.690 0 40 FHAB CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 225048423 MBXTUBRPKZFPMQ-UHFFFAOYSA-N 369.442 3.842 0 40 FHAB O=C(NCc1coc2ccccc12)N1CC2(CCC2)[C@H]1C1CCOCC1 333771417 RKKAZNRCWNVPPS-LJQANCHMSA-N 354.450 3.924 0 40 FHAB CN(C)C(=O)c1ccc2onc(-c3csc(-c4cccnc4)n3)c2c1 96266531 SZRKNALZSAOOOR-UHFFFAOYSA-N 350.403 3.715 0 40 FHAB Cn1cc(CN2CCC3(CC2)CN(c2cccnc2)c2ccccc23)cn1 96052469 ZEXXWVIZLMMOFT-UHFFFAOYSA-N 359.477 3.501 0 40 FHAB Cc1cccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@@H](c3ccco3)C2)c1 95115966 XNEQORJFEKNJDW-HXUWFJFHSA-N 365.477 3.998 0 40 FHAB Cc1c(Cl)cccc1N1C[C@H](C(=O)N[C@H](C)c2ccccc2)CC1=O 240803880 BBGFGXOVDFIQMB-GDBMZVCRSA-N 356.853 3.879 0 40 FHAB CCCOc1c(Cl)cc(C(=O)N(C)[C@@H]2CCC[C@H]2O)cc1OCC 585082496 ZAVKHANUVBWXDP-HUUCEWRRSA-N 355.862 3.513 0 40 FHAB O=C(NC[C@@](O)(c1ccoc1)c1cccs1)c1nc2ccccc2s1 253472884 QIAAXFWZNYYQSD-GOSISDBHSA-N 370.455 3.617 0 40 FHAB CCc1nccn1-c1ccnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 257302824 SEQJYHHNCFODLO-HNNXBMFYSA-N 356.470 3.944 0 40 FHAB O=C(c1ccncc1)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257254839 KEXBDXJRGYDVOR-KRWDZBQOSA-N 365.408 3.819 0 40 FHAB O=C(c1ccc(Cl)s1)N1CC(Oc2nc3ccccc3s2)C1 85471159 WBNOADKVIAKVKN-UHFFFAOYSA-N 350.852 3.915 0 40 FHAB O=C(CSCc1ccccc1)NCCCn1ccnc1-c1ccccc1 85555092 RLMILZHAQLBVEE-UHFFFAOYSA-N 365.502 3.990 0 40 FHAB Cc1ccc(F)cc1NC(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 1191387899 ZSDQENRHIUBROB-CZUORRHYSA-N 363.433 3.607 0 40 FHAB CO[C@@](C)(CNC(=O)COc1ccccc1F)c1cccc(Cl)c1 96392465 HKMYCXZIFCUWRP-SFHVURJKSA-N 351.805 3.536 0 40 FHAB FC(F)(F)c1cc(N2CC[C@@H]3[C@@H](C2)CN3CC2CCCCC2)ncn1 585107927 FWTAMBMLVMHZNM-LSDHHAIUSA-N 354.420 3.586 0 40 FHAB O=C(C1CCCCC1)N1CCC(COc2cc3c(nn2)CCCC3)CC1 1565522748 ZILHBJQQESZJSI-UHFFFAOYSA-N 357.498 3.553 0 40 FHAB Cc1ccc(NC(=O)NCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 12865605 GHNARZYNDSRZGE-INIZCTEOSA-N 365.477 3.873 0 40 FHAB CCOc1ccc(C(=O)N(C)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 13479855 BCRNOLUWFZCOOI-UHFFFAOYSA-N 350.418 3.507 0 40 FHAB CC(C)Oc1ccc(C(=O)NCC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 15619722 MSGAWKRHDBAEHP-CQSZACIVSA-N 374.868 3.734 0 40 FHAB COc1cccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)o2)c1 15669901 FYMUOPIHXGHNQI-UHFFFAOYSA-N 355.419 3.784 0 40 FHAB Nc1nc(COC(=O)CCCc2c[nH]c3ccccc23)nc2ccccc12 18264472 KUAZCSLRGHNRHH-UHFFFAOYSA-N 360.417 3.759 0 40 FHAB COC(C)(C)C(=O)N1CCC[C@H]1c1ccc(Cc2ccc(F)cc2)cn1 19688500 BEECUQKCWRSVLP-IBGZPJMESA-N 356.441 3.900 0 40 FHAB CC1CCN([C@@H](C)Cn2cncc2-c2cnn(Cc3ccccc3)c2)CC1 19719504 IPTCXXPTDUUFSD-IBGZPJMESA-N 363.509 3.915 0 40 FHAB Cc1ccc(-n2ccc3nc4ncnn4c(-c4ccccc4)c3c2=O)cc1C 19960210 FHJFKJJWBFQYAC-UHFFFAOYSA-N 367.412 3.712 0 40 FHAB Cc1cccc2sc(N3CCN(c4cc(C5CC5)ncn4)CC3)nc12 1888897337 GSLFNNMOIUBOGJ-UHFFFAOYSA-N 351.479 3.599 0 40 FHAB Cc1cc(C)cc(N(C(=O)CCc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)c1 4165611 XTKBOQPVWJGUHC-LJQANCHMSA-N 369.486 3.580 0 40 FHAB COc1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc12 4518048 PBKWAHGRLRATJZ-UHFFFAOYSA-N 355.415 3.504 0 40 FHAB O=C(Nc1nnc(-c2ccc(Br)s2)o1)c1ccccc1F 11695458 VFTQUKMSSOSKJB-UHFFFAOYSA-N 368.187 3.952 0 40 FHAB COc1ccc2nc(-c3ccc(NC(=O)c4ccccc4OC)cc3)cn2n1 11693508 CSFNTLRVUMCHOC-UHFFFAOYSA-N 374.400 3.666 0 40 FHAB O=C(Cc1ccc(NC(=O)c2cccs2)cc1)NCc1cccs1 13716649 ANBUYBHIVTXLLN-UHFFFAOYSA-N 356.472 3.921 0 40 FHAB CC(=O)Nc1ccc(CN2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)cc1 1775975143 AKGJHDLBARDIJB-ROUUACIJSA-N 358.873 3.863 0 40 FHAB O=C(NCC1(c2cccs2)CCCCC1)[C@H]1COc2ccccc2O1 49521132 OEDHTBSWYDXMJC-QGZVFWFLSA-N 357.475 3.906 0 40 FHAB FC(F)(F)c1ccccc1CN1CCC[C@@H](COc2cnccn2)C1 2298206641 PCBXPMUYVWMCAW-CQSZACIVSA-N 351.372 3.786 0 40 FHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1nc2ccccc2s1 31036462 XPSORYQVXFJERB-GFCCVEGCSA-N 355.419 3.600 0 40 FHAB CCOC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C 36713142 QUBODGMVUHDKQB-UHFFFAOYSA-N 367.405 3.627 0 40 FHAB C[C@H](c1ccccc1)N(C)C(=O)c1cc(S(C)(=O)=O)ccc1Cl 36728968 QOQIXWVHMQARSW-GFCCVEGCSA-N 351.855 3.577 0 40 FHAB CC(C)c1nccn1CCC(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 81437542 QGBJKESQTJOMDE-MRXNPFEDSA-N 374.460 3.765 0 40 FHAB Cc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)cc1 825461 SRUQWQJJFLFZKA-UHFFFAOYSA-N 373.364 3.720 0 40 FHAB Cc1ccc(-c2nc3ccccc3c(=O)n2NC(=O)c2cccs2)cc1 1254740 NCLDZXLYVRGXHU-UHFFFAOYSA-N 361.426 3.817 0 40 FHAB COC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C(C)C 3258616 AOOAHLQZXWLBKR-UHFFFAOYSA-N 368.458 3.774 0 40 FHAB CCN(CC)c1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)cc1 3271089 PPDLBXSXOLBPKG-UHFFFAOYSA-N 362.376 3.607 0 40 FHAB O=C(C[C@@H]1Sc2ccccc2NC1=O)NCCSCc1ccccc1 7642788 OAOWHWBTAZDLGH-KRWDZBQOSA-N 372.515 3.539 0 40 FHAB O=C(NCc1cccnc1Oc1cccc(F)c1)c1ccc2[nH]cnc2c1 32675640 GRSFKRBRZJMWON-UHFFFAOYSA-N 362.364 3.819 0 40 FHAB Cc1nc2ccccc2nc1NC1CCN(C(=O)c2ccccc2F)CC1 52243808 PRARVEPHBKUKCB-UHFFFAOYSA-N 364.424 3.794 0 40 FHAB COc1ccc(C(=O)NC(=S)Nc2cccc3nc(C)ccc23)cc1 59294627 YIRQVLWNSXHMEB-UHFFFAOYSA-N 351.431 3.679 0 40 FHAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccc2ccccc2n1 32845801 FMUZGPGJQJOQOI-UHFFFAOYSA-N 354.793 3.841 0 40 FHAB C[C@H](C(=O)Nc1ccccc1F)[S@@](=O)CCOc1ccccc1Cl 32801058 DTNCDFQJUZBLKP-OIRASMEMSA-N 369.845 3.634 0 40 FHAB Cc1nc(COc2ccc([C@H]3NC(=O)c4ccccc4N3)cc2)cs1 8721498 QAGJKTMBZOFRON-GOSISDBHSA-N 351.431 3.885 0 40 FHAB C[C@@H]1CN(C(=O)COc2ccc3ccccc3c2)c2ccccc2NC1=O 21803837 UNKUANGWZSHASS-OAHLLOKOSA-N 360.413 3.840 0 40 FHAB Cc1c(CN(C)Cc2c(F)cccc2Cl)c(=O)n(-c2ccccc2)n1C 33034003 LGSUUZWWARLEGM-UHFFFAOYSA-N 373.859 3.909 0 40 FHAB Cc1sc(NC(=O)c2cccnc2)nc1-c1ccc2c(c1)N=C(O)CO2 11969119 SKJSCPZMTDHCMJ-UHFFFAOYSA-N 366.402 3.746 0 40 FHAB CCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 687822 GNYHOLHJCXJSEU-UHFFFAOYSA-N 366.870 3.507 0 40 FHAB Cc1cccc(N2CCN(c3ncnc4sc5c(c34)CCC5)CC2)c1 641443 UEZZSXJHESCOGJ-UHFFFAOYSA-N 350.491 3.815 0 40 FHAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1C 812968 GHTMNJVQUAJYEX-UHFFFAOYSA-N 352.463 3.830 0 40 FHAB COC(=O)[C@]1(CC=C(C)C)C(=O)C[C@H]2CC[C@H]1N2Cc1cccc(OC)c1 100190061 WBSLODQSNBEOIO-JUXOCIIHSA-N 371.477 3.517 0 40 FHAB CSc1nnc(NC(=O)CSc2nc3ccccc3s2)s1 12390627 SOGVNHHLLVSCFV-UHFFFAOYSA-N 354.507 3.601 0 40 FHAB Cc1cccc(NC(=O)[C@@H](C)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 27570374 HNEHWWHRIBAYFK-QZTJIDSGSA-N 365.477 3.673 0 40 FHAB COc1ccc(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(C)cc2)cc1 937696 GURJCTDOMTUMMJ-CQSZACIVSA-N 358.463 3.703 0 40 FHAB Cc1ccc([C@@H](CN2CCOCC2)Nc2nnc(C)c3ccccc23)cc1 24341688 QLFWMUKOHXQWGG-OAQYLSRUSA-N 362.477 3.732 0 40 FHAB CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1cccc(OC)c1 8578970 SFXRDCJPWONHAJ-UHFFFAOYSA-N 350.418 3.507 0 40 FHAB O=C(CCOc1ccccc1F)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 55229244 ASDJEQKQPMWXNT-HNNXBMFYSA-N 367.424 3.877 0 40 FHAB C[C@@H](OC[C@H](O)CN1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 12550703 XVFLPTFHXKTVFW-DYESRHJHSA-N 374.912 3.601 0 40 FHAB CCOc1cc2c(cc1NS(=O)(=O)c1ccc(C)c(C)c1)O[C@@H](C)C2 12584380 WGCKUADOTVWMQH-AWEZNQCLSA-N 361.463 3.826 0 40 FHAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1csc2c1CCCC2 57355561 UTDWJRLFBAEMCO-UHFFFAOYSA-N 372.490 3.736 0 40 FHAB CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2N2CCOCC2)cc1 12589969 ZHEWJZKJZYJZKX-UHFFFAOYSA-N 368.477 3.838 0 40 FHAB CCOc1c(Cl)cc(CNC[C@H]2COc3ccccc3O2)cc1OC 25261811 ASPXMAYWNPQPHV-AWEZNQCLSA-N 363.841 3.677 0 40 FHAB Cc1ccc(-c2nnn([C@H](C)C(=O)c3ccc(Br)cc3)n2)cc1 35264559 QLHBWDKUFHHMEE-GFCCVEGCSA-N 371.238 3.855 0 40 FHAB O=C(COC(=O)CCSc1ccccc1)N[C@H]1CCCc2ccccc21 3222089 LXGRAOHUNVJKJU-IBGZPJMESA-N 369.486 3.906 0 40 FHAB CC(C)C[C@H](C(=O)Nc1ccc(F)cc1F)N1C(=O)c2ccccc2C1=O 3259058 IAGLQCPNAVBUMO-QGZVFWFLSA-N 372.371 3.614 0 40 FHAB Cc1cc2nc(NC[C@H](O)c3ccc(Cl)cc3)c3ccccc3n2n1 26704300 CLONBRTVVTYVOO-KRWDZBQOSA-N 352.825 3.990 0 40 FHAB c1ccc2[nH]c(-c3nn4c(CN5CCCCCC5)nnc4s3)cc2c1 57524696 AKAVQFWBCJECNU-UHFFFAOYSA-N 352.467 3.710 0 40 FHAB CCc1cc(=O)n(CC(=O)N2CCCC[C@@H]2C)c(-c2cccc(Cl)c2)n1 57527587 VWLJUWZYFFWDHP-AWEZNQCLSA-N 373.884 3.527 0 40 FHAB C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H](c1ccco1)N1CCCC1 27333659 USEMTEUXFTWTGY-YOEHRIQHSA-N 362.857 3.654 0 40 FHAB COc1ccc2nc(C)c(C(=O)NCc3ccc(-n4ccnc4)cc3)cc2c1 58156542 RMQOARDLCPONNK-UHFFFAOYSA-N 372.428 3.668 0 40 FHAB Cc1c([C@@H](C)NC(=O)c2ccccc2-n2cccn2)cnn1-c1ccccc1 58171819 ASNPVWLCWBHDLS-MRXNPFEDSA-N 371.444 3.857 0 40 FHAB Cc1ccsc1C(=O)OCC(=O)NCc1ccc(Cl)cc1Cl 3384074 MAEUHFAUHXUOAZ-UHFFFAOYSA-N 358.246 3.837 0 40 FHAB Cc1ccc(-n2cnnc2SCC(=O)N2CCC[C@H](C)C2)cc1Cl 10249639 CSYJKJMNSPIMBO-LBPRGKRZSA-N 364.902 3.580 0 40 FHAB O=C(COC(=O)c1c(Cl)cccc1Cl)Nc1cccnc1Cl 3370946 VSRIDOKIAUHHBK-UHFFFAOYSA-N 359.596 3.837 0 40 FHAB COc1cc(CNc2ncnc3c2[nH]c2ccc(OC)cc23)cc(OC)c1 2299587 XIWXYGRCCRONDN-UHFFFAOYSA-N 364.405 3.749 0 40 FHAB O=C(C[C@@H]1C=CCC1)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 10660527 TZFHJCNLGHJGAB-OAHLLOKOSA-N 369.490 3.942 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)N(C)[C@H](C)c1ccc(F)cc1 10856873 XICMZFYUHCXDEI-CYBMUJFWSA-N 359.397 3.635 0 40 FHAB COCc1cccc(C(=O)N(C)Cc2cc(Br)cs2)c1 48327538 ZQWYCOAPKBTRPJ-UHFFFAOYSA-N 354.269 3.929 0 40 FHAB COc1ccc([C@H](O)C2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1 12815468 GJGZWMUTNVSAKG-FQEVSTJZSA-N 354.450 3.981 0 40 FHAB Cc1cc(C)n2c(S[C@H](C)C(=O)c3c(C)[nH]c4ccccc34)nnc2n1 3491147 OGQQVKLINAMTHJ-CYBMUJFWSA-N 365.462 3.894 0 40 FHAB COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1cccc(Cl)c1 3497935 SQEAXTKXTOJIBA-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB NC(=O)c1oc2ccccc2c1NC(=O)c1cc2ccccc2c(Cl)n1 70036418 LBHGQCSTGFZDPF-UHFFFAOYSA-N 365.776 3.986 0 40 FHAB COc1cccc([C@H](CNC(=O)Nc2ccccc2OC)N2CCCC2)c1 12977121 XIXQGWMBVMBGDA-IBGZPJMESA-N 369.465 3.662 0 40 FHAB COc1cc(/C=C/c2noc(-c3ccccc3O)n2)ccc1OC(C)=O 13120386 WWQCMFIUQAUDDJ-CSKARUKUSA-N 352.346 3.547 0 40 FHAB COc1ccc(-n2ccnc2SCC(=O)N[C@@H](C)c2ccccc2)cc1 5262914 ZFOIKNMHJVNBFZ-HNNXBMFYSA-N 367.474 3.850 0 40 FHAB COc1ccc([C@H](C)NC(=O)COc2cc(C)cc(C)c2C)cc1OC 20456125 CCOPDQOVAKDZGU-INIZCTEOSA-N 357.450 3.885 0 40 FHAB Cc1cccc(C)c1OCC(=O)Nc1nnc(Cc2ccccc2)s1 6334382 KYCRNBLZKLHFMA-UHFFFAOYSA-N 353.447 3.763 0 40 FHAB Cn1cc(C(=O)N[C@H]2CCSc3ccc(F)cc32)c(-c2cccnc2)n1 65474490 RPQBMSUJQWYFTE-INIZCTEOSA-N 368.437 3.588 0 40 FHAB Cc1cc(NC(=O)[C@H](OC(=O)c2ccc(F)cc2)c2ccccc2)no1 14016355 OMYKARIGKNRMJC-QGZVFWFLSA-N 354.337 3.659 0 40 FHAB O=C(CCN1C(=O)COc2ccccc21)Nc1cccc(Cl)c1Cl 14201097 KBFIBFKQXYCFDJ-UHFFFAOYSA-N 365.216 3.748 0 40 FHAB CCc1ccc(OCC(=O)Nc2nnc(-c3ccccc3OC)s2)cc1 5499911 WQNFQPXPJCRBLU-UHFFFAOYSA-N 369.446 3.794 0 40 FHAB CC(C)Cn1nc(C(=O)Nc2cc(F)ccc2F)c2ccccc2c1=O 5676717 FDKWIJPSYNENQK-UHFFFAOYSA-N 357.360 3.583 0 40 FHAB CCSc1nc(SCC(=O)O)c2sc3c(c2n1)COC(C)(C)C3 6760690 RQNCVZMBGQYWOM-UHFFFAOYSA-N 370.521 3.831 0 40 FHAB COc1ccc(CCNC(=O)Cc2csc(-c3ccccc3)n2)cc1 6756511 PGIURDREQVLHKE-UHFFFAOYSA-N 352.459 3.720 0 40 FHAB biogenic CCOc1ccc(CCNC(=O)c2ccc(OC)c(F)c2)cc1OCC 7285024 NXJKXINXPGUVIJ-UHFFFAOYSA-N 361.413 3.604 0 40 FHAB COc1ccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)cc1F 15641647 QNVWPIFHGVXOGG-UHFFFAOYSA-N 359.788 3.985 0 40 FHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)C1=Cc2cc(Cl)ccc2OC1 9054263 OXCNCWMGSDXSLY-KRWDZBQOSA-N 372.852 3.662 0 40 FHAB COc1ccc(NC(=O)c2cc3cc(Cl)cc(OC)c3oc2=O)cc1 9235461 LGLCBFCYIYELNO-UHFFFAOYSA-N 359.765 3.716 0 40 FHAB CCCCN(Cc1cc2ccccc2[nH]c1=O)S(=O)(=O)c1ccccc1 9266541 OFLIUJYGIQOZQU-UHFFFAOYSA-N 370.474 3.519 0 40 FHAB CCN(CC)CCCNc1ncnc2c1cnn2-c1cccc(Cl)c1 24013007 JAGDISBZXJYDDE-UHFFFAOYSA-N 358.877 3.613 0 40 FHAB CN(CCN1CCCC1)[C@@H](c1ccccc1)c1nc(-c2ccccc2)no1 89899975 ZBOJBHKBPMQYPE-FQEVSTJZSA-N 362.477 3.854 0 40 FHAB CC[C@H](NC(=O)c1nn(C)c(C)c1Br)c1ccc(C)cc1 28236397 HYQGXKCLRYFKID-ZDUSSCGKSA-N 350.260 3.681 0 40 FHAB COc1ccc(NC(=O)Cc2c(C)c3ccc(O)cc3oc2=O)cc1Cl 9576867 AWRGMRUWGKWESS-UHFFFAOYSA-N 373.792 3.650 0 40 FHAB COc1ccc(OC)c([C@@H]2CC(O)=Nc3c2cnn3Cc2ccco2)c1 72404622 AOMZHAHIJZMHQM-AWEZNQCLSA-N 353.378 3.665 0 40 FHAB CC(=O)Nc1cccc(OC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 95348616 WWLKLSZPODFAAX-UHFFFAOYSA-N 351.362 3.586 0 40 FHAB Cc1cccc(-c2nnc(C3(c4ccc5c(c4)OCO5)CCOCC3)o2)c1 75134654 KGQOGEPYIQPTSA-UHFFFAOYSA-N 364.401 3.870 0 40 FHAB CC(C)S(=O)(=O)N[C@H]1C[C@@H](Cc2cc(-c3ccccc3)on2)C1(C)C 67890258 NZRREDQCAWLYCJ-QAPCUYQASA-N 362.495 3.627 0 40 FHAB biogenic,in-vitro O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2CN(Cc3ccoc3)C[C@H]21 306144323 ZCEPWCZINWGQTG-VQIMIIECSA-N 371.483 3.763 0 40 FHAB O=C(c1cc(-c2ccc(F)cc2)on1)N1CCN(c2ccccc2F)CC1 123036771 PPTRTFRHCUVTRR-UHFFFAOYSA-N 369.371 3.582 0 40 FHAB Cc1cc(CNC(=O)CNc2ccc(OC(F)(F)F)cc2)ccc1F 32770305 FRSATZRRNRYKCL-UHFFFAOYSA-N 356.319 3.761 0 40 FHAB Cc1nc(Nc2ncc(C)s2)cc(C2CN(C(=O)OC(C)(C)C)C2)n1 72382171 SDJQZODYOLCNAL-UHFFFAOYSA-N 361.471 3.628 0 40 FHAB Cc1cc(C)nc(SCc2ccc(C(=O)NC[C@@H]3C[C@@H]4C=C[C@H]3C4)o2)n1 79480932 OPSQNQOLEHMVQV-PMPSAXMXSA-N 369.490 3.921 0 40 FHAB COc1ccc(-c2noc([C@@H]3CCN(Cc4ccc(F)cc4)C3)n2)cc1 72369915 LSRUHKGFXWUREN-MRXNPFEDSA-N 353.397 3.874 0 40 FHAB O=C(O)c1ccc2c(c1)[C@@]1(C[C@@H]1c1cccc(Br)c1)C(=O)N2 217477117 HXIUGYSURBPMPU-CXAGYDPISA-N 358.191 3.525 0 40 FHAB C[C@H](SCc1ccccc1)C(=O)NCc1ccc(-n2ccnc2)cc1 38755648 IZAUDNJHVGQDRI-INIZCTEOSA-N 351.475 3.810 0 40 FHAB CCOC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)o1 39757278 SQQZQBHLGXGEPW-UHFFFAOYSA-N 352.350 3.557 0 40 FHAB COc1ccc(C)cc1NC(=O)CSCc1cc(=O)c2ccccc2[nH]1 33063944 GDKKOAQULKUBIF-UHFFFAOYSA-N 368.458 3.717 0 40 FHAB O=C(NCc1nc(C2CC2)no1)Nc1cccc(COCc2ccco2)c1 47604105 WZHFAJDZLSOZMH-UHFFFAOYSA-N 368.393 3.579 0 40 FHAB O=C(Nc1ccc(-n2cccn2)nc1)c1cc(-c2ccccc2Cl)on1 40086864 WNGQGYKVBWDOHX-UHFFFAOYSA-N 365.780 3.828 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCOc1cc(C)cc(C)c1 224092326 CQZLUQXBRUVUGE-HXUWFJFHSA-N 357.450 3.665 0 40 FHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 223032140 MPMSPISOXUKQSS-MOPGFXCFSA-N 370.522 3.617 0 40 FHAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc(F)cc1Br 40108295 SEFOHVZRMINTBN-IAQYHMDHSA-N 358.251 3.913 0 40 FHAB O=C1CCCN1c1cccc(CNC(=S)Nc2cccc(Cl)c2)c1 44077906 KZPXLHWOGBHRNZ-UHFFFAOYSA-N 359.882 3.953 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)CCc1ccc(OC)c(C)c1 224989999 HUCYFTBNFGBBGW-UHFFFAOYSA-N 354.450 3.715 0 40 FHAB Nc1ccc(N2CCOCC2)c(NC(=O)c2cc(Cl)ccc2Cl)c1 226252801 ZWYKJEPETRPPLA-UHFFFAOYSA-N 366.248 3.665 0 40 FHAB COC(=O)c1ccccc1NC(=O)CCc1ncc(-c2ccccc2)o1 41018842 VHQSQVBKMQNEKF-UHFFFAOYSA-N 350.374 3.700 0 40 FHAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2ccc(CN3CCCC3)cc2)c1 44873136 VQXWYOLCEDMIAA-IBGZPJMESA-N 366.505 3.983 0 40 FHAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(=O)O)cc1 225749002 WITAXTVRIWARDG-LJQANCHMSA-N 351.443 3.854 0 40 FHAB Fc1ccc(Nc2ncc(Br)c(-n3ccnc3)n2)cc1Cl 144263719 XDLPJCQWMIRQHG-UHFFFAOYSA-N 368.597 3.961 0 40 FHAB O=C1CC[C@H](c2cccc(NC(=O)N3CCC=C(c4ccccc4)C3)c2)N1 583073429 RPFPAAFUQFWRKL-HXUWFJFHSA-N 361.445 3.959 0 40 FHAB O=C(NC1CC1)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1 96155418 BPFAWMJRBJYROH-UHFFFAOYSA-N 360.392 3.823 0 40 FHAB c1ccc(CN2CCC3(CC2)CN(C[C@@H]2CCCO2)c2ccccc23)nc1 96078840 DEBHNDPWFQRVLZ-FQEVSTJZSA-N 363.505 3.614 0 40 FHAB Cn1c(C(=O)NCCc2cccnc2)cc2c1c1ccccc1n2CC1CC1 96146488 SXMUYMVSWAZTDC-UHFFFAOYSA-N 372.472 3.911 0 40 FHAB COc1cccc(CN2CCC3(CC2)CCN(C(=O)c2ccccc2)C3)c1 96046643 QJHPMMVAWKZLIE-UHFFFAOYSA-N 364.489 3.824 0 40 FHAB CC[C@H]1CCCCN1c1nn(-c2ccccc2C(F)(F)F)nc1C(=O)O 256046770 HZDSJOVSJLIHBR-NSHDSACASA-N 368.359 3.753 0 40 FHAB CN1CCC[C@H](NC(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]32)c2ccccc21 665055406 NIOQNCRNMRWOII-JYAXBFRTSA-N 365.452 3.734 0 40 FHAB O=C(NCc1cccc2ccccc12)N1CCC[C@H](Oc2ccncc2)C1 575612251 KJKMLNXNMMNDSD-FQEVSTJZSA-N 361.445 3.988 0 40 FHAB O=C1CC[C@]2(CCCN(Cc3ccncc3)CC2)N1Cc1ccc(F)cc1 585099945 ASXJCFSVDGMTEP-QFIPXVFZSA-N 367.468 3.768 0 40 FHAB O[C@@H]1[C@@H](NCc2ccc(F)cc2F)CCC[C@H]1Oc1ccccc1F 585289525 QZVPQSOXGUTVGB-QXAKKESOSA-N 351.368 3.555 0 40 FHAB O[C@]1(COc2ccc(F)c(Cl)c2)COCCN(C2CCCCCC2)C1 585283527 ROULMTVREKICDO-IBGZPJMESA-N 371.880 3.644 0 40 FHAB O=C(Nc1cccc(Br)c1)C1CCN(CC(F)(F)F)CC1 47238965 MYMSDIWJYTUFJE-UHFFFAOYSA-N 365.193 3.662 0 40 FHAB Cc1cc(-n2c(C)cc(C(=O)CSc3nncn3C(C)C)c2C)no1 5417710 OHUREHPPWCCXEP-UHFFFAOYSA-N 359.455 3.538 0 40 FHAB CCOc1ccc2nc(NC(=O)Cc3ccc4c(c3)OCCO4)sc2c1 5635730 SGIWCVHSXKBQLY-UHFFFAOYSA-N 370.430 3.647 0 40 FHAB Cc1cc(OCC(=O)O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)ccc1Cl 5994390 MHIIGRMRXWZTIM-LBPRGKRZSA-N 372.808 3.568 0 40 FHAB Cc1ccccc1C1(O)CCN(C(=O)c2c(C)oc3ccc(O)cc23)CC1 12325336 KTDRBEZRRPJZNR-UHFFFAOYSA-N 365.429 3.879 0 40 FHAB COc1ccc(C2(CNC(=O)/C=C\c3ccco3)CCCC2)cc1OC 12730153 MBUHXLRLEXBOPE-NTMALXAHSA-N 355.434 3.938 0 40 FHAB COc1cc(NC(=O)[C@H](C)Oc2ccc(F)cc2)c(OC)cc1Cl 14400619 YEMWVQNCUINRCO-JTQLQIEISA-N 353.777 3.902 0 40 FHAB Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2c(C)n[nH]c2C)s1 14404785 ZAOGIFSWFOFRKT-UHFFFAOYSA-N 354.435 3.901 0 40 FHAB Cc1cc(=O)c(C(=O)NC2CCC(C)CC2)nn1-c1ccc(Cl)cc1 19295363 ZBGQMMPDEYEVFJ-UHFFFAOYSA-N 359.857 3.503 0 40 FHAB C[C@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(N[C@H](C)c2ccccc2)n1 19457422 VFZAXPOJJUJJBU-CHWSQXEVSA-N 357.845 3.597 0 40 FHAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)CCc2ccno2)sc1C 19559755 FEZBEVVLJJYTAK-OAHLLOKOSA-N 361.492 3.842 0 40 FHAB COc1ccc2oc(C(=O)Nc3cc(C)nn3Cc3ccncc3)cc2c1 19574603 PQCDCNZMTTYGMH-UHFFFAOYSA-N 362.389 3.642 0 40 FHAB Cc1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c(C)c1 5196191 SYDAJYDBEOGWOB-HNNXBMFYSA-N 357.841 3.884 0 40 FHAB COc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccccc4)c3)cn2n1 12441178 DIJXHUFFTGXTQM-UHFFFAOYSA-N 358.401 3.966 0 40 FHAB CC(C)(C)C(=O)N1CCc2ccc(NC(=O)COc3ccccc3)cc21 13695256 SSDSKZNLSADLDE-UHFFFAOYSA-N 352.434 3.639 0 40 FHAB Cn1nc(-c2cccs2)cc1CNC(=O)CSCc1ccccc1 1775966668 SUZOJEJHVBMTPX-UHFFFAOYSA-N 357.504 3.698 0 40 FHAB O=C(NCCSc1nc(-c2ccccc2)c[nH]1)NCc1cccs1 38677368 AXKDICAHVJVOSZ-UHFFFAOYSA-N 358.492 3.730 0 40 FHAB Cc1nc(-c2nnc(NC(=O)c3cccc(Br)c3)o2)cs1 56904072 XNKADZNPSRLTQY-UHFFFAOYSA-N 365.212 3.516 0 40 FHAB CCCCN1CCC(C[C@@H]2CC(c3ccccc3C)=NO2)(C(=O)O)CC1 72389723 HEFZYIYSXHQUMY-KRWDZBQOSA-N 358.482 3.845 0 40 FHAB CC[C@H]1CN(C(=O)c2cc(-c3ccccc3F)nc3onc(C)c23)CCO1 30852032 MFJIIRLECKBXCU-ZDUSSCGKSA-N 369.396 3.588 0 40 FHAB CC1(C)C[C@@H](NC(=O)c2ccc(Cn3ccnc3)cc2)c2ccccc2O1 44918641 SMRPVEKORLAKAQ-LJQANCHMSA-N 361.445 3.964 0 40 FHAB Cc1cc([C@@H](C)NC(=O)[C@H](NC(=O)c2ccccc2)C(C)C)c(C)s1 40074293 VBWHQMYCXOOSCM-RDTXWAMCSA-N 358.507 3.997 0 40 FHAB CN(C[C@H]1CCCN(c2cnc3ccccc3n2)C1)C(=O)OC(C)(C)C 40158229 BUHOUWARFOEWGK-OAHLLOKOSA-N 356.470 3.713 0 40 FHAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(F)cc1 8266969 WXSPHZKCVISVIO-UHFFFAOYSA-N 358.457 3.877 0 40 FHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C)ccc1C 888042 FNCWJLPFSXQGGQ-UHFFFAOYSA-N 360.479 3.586 0 40 FHAB O=C(O)c1cc2nc(-c3cccc(OC(F)F)c3)cc(C(F)(F)F)n2n1 2796815 LABPPMOLYNWAQQ-UHFFFAOYSA-N 373.237 3.715 0 40 FHAB Cc1ccc(-n2ncc3c2N=C(O)C[C@]32C(=O)Nc3ccccc32)c(C)c1 20719514 JUVMHVUTHAGKFC-OAQYLSRUSA-N 358.401 3.719 0 40 FHAB O=C1N[C@H]2[C@H](Cc3ccccc3O)c3ccccc3CN2c2ccccc21 4158727 ZYKNBHAKRJETJG-DENIHFKCSA-N 356.425 3.808 0 40 FHAB Cc1cc(I)cnc1NC(=O)c1ccccc1Cl 6572500 OIDBEHIICYNQEE-UHFFFAOYSA-N 372.593 3.900 0 40 FHAB CCCCOc1ccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1 6650924 NTCGRRUOOGHSSJ-RGEXLXHISA-N 350.418 3.958 0 40 FHAB O=c1[nH]ncc(NCc2cccc(COCc3ccccc3)c2)c1Cl 52104239 IAZIVUHGFLBXLQ-UHFFFAOYSA-N 355.825 3.752 0 40 FHAB CCOc1cc(CNn2cnnc2)ccc1OCc1ccccc1Cl 7602404 AXXRLZXFHHUSCC-UHFFFAOYSA-N 358.829 3.653 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=O)COc2ccccc2Cl)c1 7792316 LFMLGENXCOWTSO-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB COc1ccccc1Nc1ncccc1C(=O)NCc1nc(C)cs1 21482828 NGJHXTCVZBMFJU-UHFFFAOYSA-N 354.435 3.529 0 40 FHAB COc1ccc(CS[C@@H](C)C(=O)NCc2ccccc2OC)cc1F 32814588 LVAALCPPKUQJOJ-ZDUSSCGKSA-N 363.454 3.781 0 40 FHAB Cc1csc(NC(=O)COC(=O)c2cc(Cl)sc2Cl)n1 21634547 UIUALTLNZTYKNP-UHFFFAOYSA-N 351.236 3.615 0 40 FHAB COc1cc2cc([C@H]3CC(C4CC4)=NN3C(C)=O)c(Cl)nc2cc1OC 32934855 MFKAUVCPJSGHSH-MRXNPFEDSA-N 373.840 3.965 0 40 FHAB Cc1ccc(C)c(CS(=O)(=O)[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1 32929572 FIADSBCDYZIZEL-KNIMUDFMSA-N 365.539 3.548 0 40 FHAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N[C@H](C)C(C)C 22412091 HYEXXRSCYDZDMQ-LLVKDONJSA-N 355.360 3.674 0 40 FHAB COc1cc(C)ccc1S(=O)(=O)Nc1ccc(Br)cc1 54363341 GPZUDADBTWZQGU-UHFFFAOYSA-N 356.241 3.567 0 40 FHAB CC[C@@H](C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 938065 KNRSHAKWIYJBGT-VKHMYHEASA-N 371.003 3.759 0 40 FHAB CCOC(=O)N1CCC(NC(=O)C(c2ccccc2)c2ccccc2)CC1 24471093 VKFRXNAHQRRJHX-UHFFFAOYSA-N 366.461 3.556 0 40 FHAB CCc1cccc(N2C[C@@H](C(=O)Nc3cccc(SC)c3)CC2=O)c1 24832615 KLTUURSRWISMGD-HNNXBMFYSA-N 354.475 3.963 0 40 FHAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 100377250 YBZPUNZGOXWAAB-MTYIDNOTSA-N 367.754 3.916 0 40 FHAB O[C@@H](CNCc1ccccc1)COc1ccc(OCc2ccccc2)cc1 26770388 ZIJRBUPAVIUPIL-NRFANRHFSA-N 363.457 3.795 0 40 FHAB O=C(O)c1cc2c(c(-c3cc(=O)c4cc(Cl)ccc4o3)c1)OCOC2 1516510 ZLBJMRATBMXJGU-UHFFFAOYSA-N 358.733 3.678 0 40 FHAB biogenic CNC(=O)c1ccc(N[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 12554501 IIKVMQNLINSUAP-NSHDSACASA-N 365.355 3.504 0 40 FHAB Cc1cc(OCC(=O)Nc2ccc(C)c(C)c2)nc(N2CCC(C)CC2)n1 44169102 ZGHVWDCOJRNDOV-UHFFFAOYSA-N 368.481 3.656 0 40 FHAB CCc1ccc(NC(=O)COc2cc(C)nc(N3CCC(C)CC3)n2)cc1 44169126 BZANLJGNVDZQAP-UHFFFAOYSA-N 368.481 3.601 0 40 FHAB OC[C@@H]1CSCCN1Cc1ccc(Oc2ccccc2F)c(F)c1 89821212 FEBASROZGGMOQN-CQSZACIVSA-N 351.418 3.667 0 40 FHAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(F)ccc3C)n2)cc1 21996818 LDIFOBDRGXUARB-UHFFFAOYSA-N 372.425 3.659 0 40 FHAB CCCN1C(=O)c2ccccc2N[C@H]1c1cc2c(cc1OC)C[C@@H](C)O2 26757150 JTJPOSAMBINYLX-ZUOKHONESA-N 352.434 3.995 0 40 FHAB CCc1cc(=O)n(CC(=O)N2CCCC[C@H]2C)c(-c2cccc(Cl)c2)n1 57527592 VWLJUWZYFFWDHP-CQSZACIVSA-N 373.884 3.527 0 40 FHAB CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 27386232 XSPQJZVNVOPUEH-MRXNPFEDSA-N 363.417 3.806 0 40 FHAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NO[C@@H]1CCCCO1 58149356 UZBPPRSXTNAHPG-QGZVFWFLSA-N 350.802 3.502 0 40 FHAB COc1ccccc1[C@@H](NC(=O)Cc1ccccc1Cl)c1nccn1C 12602025 NZZARKORMWIJJI-LJQANCHMSA-N 369.852 3.530 0 40 FHAB Cc1noc(C)c1NC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 58212530 FBYWMSJIVSJAAM-QWRGUYRKSA-N 362.405 3.688 0 40 FHAB COc1ccc(-c2nc(CCNC(=O)c3cccc(OC)c3)cs2)cc1 27993763 ALCZNSIFJUOTHZ-UHFFFAOYSA-N 368.458 3.800 0 40 FHAB biogenic Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCCc2ccccc21)CC3 2264645 RSAVKRQMXFVKRB-UHFFFAOYSA-N 359.473 3.814 0 40 FHAB aggregator CC(C)c1ccc(CS(=O)(=O)[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 36390301 IGMHLPMTXYZCKY-GPMSIDNRSA-N 365.539 3.808 0 40 FHAB CCOP(=O)(OCC)c1nc(-c2ccc(Cl)cc2)oc1N(C)C 2344742 DPMBETFGDJMGFY-UHFFFAOYSA-N 358.762 3.952 0 40 FHAB CCOc1ccc(-c2nnc3sc(-c4ccc(N(C)C)cc4)nn23)cc1 2395895 IQNWYJQKJSCMJG-UHFFFAOYSA-N 365.462 3.985 0 40 FHAB Cc1nnc([C@@H](C)S(=O)(=O)Cc2csc(C3CCCCC3)n2)o1 48374948 LECFPLHDQSFEBW-SNVBAGLBSA-N 355.485 3.558 0 40 FHAB Cc1ccc(NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1F 12901165 ZDIIEOCMTSRCII-UHFFFAOYSA-N 351.381 3.758 0 40 FHAB Cc1cc(C)cc(OCC(=O)NCc2ccc(NC(=O)C(C)C)cc2)c1 12991407 QQZHDMYKPDXVBU-UHFFFAOYSA-N 354.450 3.593 0 40 FHAB O=C1CC2(CCCC2)C(=O)N1CC(=O)N(c1ccccc1)C1CCCCC1 12911023 UMBXDJDQDZJZRK-UHFFFAOYSA-N 368.477 3.672 0 40 FHAB CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)c1 3620142 XVEYWRYUDBYBJH-UHFFFAOYSA-N 366.200 3.992 0 40 FHAB O=C(NCCCn1ccc2ccccc21)c1cncc(Br)c1 8719341 GGGIOWABFRTELT-UHFFFAOYSA-N 358.239 3.619 0 40 FHAB COCCc1ccc(-c2csc(NC(=O)Cc3c(C)noc3C)n2)cc1 8776512 GJOJUQAZEHVETP-UHFFFAOYSA-N 371.462 3.785 0 40 FHAB O=C(CCn1cnc2ccccc2c1=O)Nc1cc(Cl)cc(Cl)c1 5270377 QKTWKIDKWNKHCS-UHFFFAOYSA-N 362.216 3.732 0 40 FHAB Cc1cccc(Oc2ncccc2NC(=O)c2ccc(C(N)=O)cc2)c1C 65802408 QHRVOARSSSYVMC-UHFFFAOYSA-N 361.401 3.842 0 40 FHAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccc3ccccc3c2)cc1 20491499 HFPHMSKJFMYLKT-UHFFFAOYSA-N 355.415 3.568 0 40 FHAB CCc1nc(CC(=O)NCc2ccnc(OC3CCC(C)CC3)c2)cs1 70873137 NLEIKFMOVCFVBH-UHFFFAOYSA-N 373.522 3.917 0 40 FHAB O=S(=O)(N[C@@H]1CCSc2ccccc21)c1ccc(Cl)cc1F 15517283 KGBHUZJDLMQLDJ-CYBMUJFWSA-N 357.859 3.995 0 40 FHAB CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)NC1=S 409005863 GSGREQKMAACCRZ-BOPFTXTBSA-N 372.877 3.997 0 40 FHAB NC(=O)c1ccc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1 15632496 KHTAHEZYDNETIU-UHFFFAOYSA-N 371.849 3.744 0 40 FHAB Cc1cccc2sc(NC(=O)[C@@]3(C)Cc4ccccc4C(=O)O3)nc12 7472711 FROPXICHFBFREX-LJQANCHMSA-N 352.415 3.715 0 40 FHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cccnc1Cl 15978107 STNPSGFUDYYQLF-NFAWXSAZSA-N 353.846 3.896 0 40 FHAB Cc1nn2c(=O)c3c([nH]c2c1-c1ccc(Br)cc1)CCCC3 9419639 CCXRGKPWAQZQGC-UHFFFAOYSA-N 358.239 3.639 0 40 FHAB CCn1nc(C(=O)N[C@H](c2cccs2)C(C)C)c2ccccc2c1=O 9592779 RRRYACKWQHDHRA-INIZCTEOSA-N 355.463 3.605 0 40 FHAB Cn1nc2c(c1NC(=O)Cc1csc(-c3ccc(F)cc3)n1)CSC2 72402774 UKIQTXVMSQLNJD-UHFFFAOYSA-N 374.466 3.611 0 40 FHAB CC(C)NC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCNCC1 77010832 GVVORTNSYMTDDJ-UHFFFAOYSA-N 354.469 3.930 0 40 FHAB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(CCCC2CCCC2)CC1 78971036 KDFKYDUXOGKACT-KRWDZBQOSA-N 361.505 3.741 0 40 FHAB CC(C)Cn1cc(C(=O)Nc2nc3c(s2)CCC3)c2ccccc2c1=O 79480484 DCJQHBHRJSDMLW-UHFFFAOYSA-N 367.474 3.855 0 40 FHAB CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 75110781 MZPLXRAUZGSASN-CRAIPNDOSA-N 362.470 3.584 0 40 FHAB CCCc1nn2c(N)c(C(=O)OCC)cnc2c1-c1cccc(Cl)c1 20635985 DJIYXAIAZYBNGQ-UHFFFAOYSA-N 358.829 3.761 0 40 FHAB CCC(=O)N(Cc1cc2ccc(C)c(C)c2n2nnnc12)C1CCCCC1 35312834 CXRGCCWAGGRKLI-UHFFFAOYSA-N 365.481 3.966 0 40 FHAB Cc1ccc(C(=O)C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)cc1 33177119 YECGCFUNNBZTBB-UHFFFAOYSA-N 350.340 3.901 0 40 FHAB O=C(CSc1nnc(COc2ccccc2F)o1)Nc1ccccc1 409385959 OYHUWJCYEOVQOQ-UHFFFAOYSA-N 359.382 3.519 0 40 FHAB COc1ccccc1NC(=O)COc1cccc(-c2nc(C(C)C)no2)c1 33012522 CDJDCZGIHUJFLB-UHFFFAOYSA-N 367.405 3.886 0 40 FHAB COc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(C)cc1 35289382 DLPYGQGHYOOUIS-KRWDZBQOSA-N 353.422 3.639 0 40 FHAB CSc1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)cc1 224862656 NINABMJNEDZWKA-UHFFFAOYSA-N 363.489 3.728 0 40 FHAB Cc1cccc(CNC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)c1 225428230 JUVBTUHEGRNINT-UHFFFAOYSA-N 353.491 3.917 0 40 FHAB Cc1nccn1-c1ccccc1CNC(=O)CSCc1ccccc1 44843739 GGFBWZILPLOQTE-UHFFFAOYSA-N 351.475 3.730 0 40 FHAB Cc1ccc(OCCNC(=O)CN2C(=O)c3cccc4cccc2c34)c(C)c1 223829207 VCLUVKASCIENIP-UHFFFAOYSA-N 374.440 3.612 0 40 FHAB O=C(c1ccccc1C(F)(F)F)N1CC(c2nc(-c3ccccc3)no2)C1 49031897 UNMXCPYFYSPKSR-UHFFFAOYSA-N 373.334 3.995 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)CSCc2cccc(C)c2)cc1 222741728 XFABULHZLMQQQC-MRXNPFEDSA-N 359.491 3.821 0 40 FHAB CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](CC)C(=O)NC1CCCCC1 225351354 YILCIBRCQUVRSD-IBGZPJMESA-N 360.498 3.661 0 40 FHAB COc1ccccc1[C@H](C)NS(=O)(=O)Cc1c(F)cccc1Cl 225137308 MKORLTSAKIYYFP-NSHDSACASA-N 357.834 3.668 0 40 FHAB COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(C(C)C)cc2)c1 223428387 BCWFYANMCNCWPP-UHFFFAOYSA-N 351.399 3.537 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=S)NCc2cccc(OC)c2)c1 225834679 MBZSONINBJLYLX-UHFFFAOYSA-N 358.463 3.667 0 40 FHAB C[C@H](Oc1cccc(-c2cc(C(F)(F)F)cnc2N(C)C)c1)C(=O)O 91695547 SSABSFNRIOLBOP-JTQLQIEISA-N 354.328 3.685 0 40 FHAB Cc1ccc(CC(=O)N2CC[C@]3(C[C@@H]3C(=O)Nc3cccc(F)c3)C2)cc1 96227240 WYUKYHVMRJADSN-KNQAVFIVSA-N 366.436 3.554 0 40 FHAB Fc1cccnc1OCC[C@H]1CCOC12CCN(Cc1ccoc1)CC2 247518332 KORGUVCSUMMEOB-KRWDZBQOSA-N 360.429 3.654 0 40 FHAB CN(C)c1nc([C@H]2CCCCN2C(=O)c2ccccc2F)cn2cccc12 257237895 HISSQWPKBHOVOQ-GOSISDBHSA-N 366.440 3.907 0 40 FHAB O=C(O)CN(CCc1ccccc1F)C1CCN(c2ccccc2F)CC1 257330680 XPLLJEIARRCSFA-UHFFFAOYSA-N 374.431 3.563 0 40 FHAB Cc1nc(Nc2ncccc2C)cc([C@@H]2CCCN2CC2CCOCC2)n1 257304667 SMQJLRBIGMHHBM-IBGZPJMESA-N 367.497 3.796 0 40 FHAB Cc1ccc([C@@H]2CN(Cc3nnc(-c4ccccc4)o3)C[C@H]2N(C)C)cc1 77535955 ZZBBUGCMMMZLRC-VQTJNVASSA-N 362.477 3.575 0 40 FHAB O=C(NCCc1ccccc1)N(CC1CC1)C[C@@H]1CCCN2CCCC[C@H]12 604406012 XSWRUVVOPZVZMA-FCHUYYIVSA-N 369.553 3.915 0 40 FHAB biogenic Cc1ccc2[nH]c(C(=O)N3CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C3)cc2c1 1643583973 WODSYUIVVYCMJW-HOCLYGCPSA-N 356.466 3.916 0 40 FHAB O=S(=O)(/C=C/c1ccccc1)NCc1cc(C2CC2)n(C2CCCC2)n1 96104101 NABQYENGUARAJB-OUKQBFOZSA-N 371.506 3.966 0 40 FHAB CCCS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 57255295 FNYHTEUVZLAKDC-ZDUSSCGKSA-N 372.446 3.647 0 40 FHAB Cc1cccc(Nc2cc(C)nc([C@@H]3CCCN(C4CCOCC4)C3)n2)n1 72360055 GAROEAJJZHFEEA-QGZVFWFLSA-N 367.497 3.590 0 40 FHAB C[C@@H]1CN(C(=O)Nc2ccccc2OCCc2ccccc2)C[C@@]1(C)CO 1616044370 OMNHERACDLQOAL-VGSWGCGISA-N 368.477 3.790 0 40 FHAB CCOc1cc(/C=C2\N=C(c3ccccc3C)OC2=O)ccc1OC(C)=O 3099242 YVADZDFSDRMMEJ-BOPFTXTBSA-N 365.385 3.664 0 40 FHAB C[C@H](NC(=O)NCc1ccccc1)c1nc(-c2ccc(Cl)cc2)n[nH]1 5001883 ITJYLNBHOMVITH-LBPRGKRZSA-N 355.829 3.686 0 40 FHAB CSc1ccc2nc(NC(=O)[C@@H]3COc4ccccc4O3)sc2c1 5299159 DSZOGBBQEUFMSV-AWEZNQCLSA-N 358.444 3.797 0 40 FHAB O=C(CSc1nc(-c2ccccc2O)n[nH]1)Nc1ccc(Cl)cc1 5636995 UBCPBNSXHPFLHB-UHFFFAOYSA-N 360.826 3.562 0 40 FHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)C(C)C)cc2N1 12276195 MEDWYJSHIKCKQD-MRVWCRGKSA-N 358.408 3.900 0 40 FHAB Cc1sc2nc([C@@H]3CCCN(C(=O)c4ccco4)C3)nc(O)c2c1C 12336877 ZKGNHSXRTCQMJI-GFCCVEGCSA-N 357.435 3.627 0 40 FHAB COc1cccc2c1O[C@]1(C)C[C@H]2NC(=S)N1CCc1ccccc1 12415486 ZAIAQKNMRAEKCW-OXQOHEQNSA-N 354.475 3.668 0 40 FHAB COc1ccccc1-n1nnnc1SCc1ccccc1C(F)(F)F 15410997 UUDNKLBIGYBIPU-UHFFFAOYSA-N 366.368 3.982 0 40 FHAB Cc1ccc(OCC(=O)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc1 17074791 XNMHJMWBUIETFB-UHFFFAOYSA-N 363.461 3.954 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CCN1[C@@H](c2ccc(C)o2)N2CCC31CC2 19216377 ZXTIWOVLWCSLRF-NRFANRHFSA-N 363.461 3.940 0 40 FHAB COc1cc2c(cc1OC)[C@H](c1ccccn1)N[C@H](c1ncccc1C)C2 19237841 UAEIJCNWHXMOOY-PGRDOPGGSA-N 361.445 3.779 0 40 FHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC1=CCCOC1)CC2 19550679 LOSMBJLOBOMSKA-HSZRJFAPSA-N 365.473 3.998 0 40 FHAB CC(=O)N1CCC[C@@H]1c1cc(N2CCN(C3CCCCC3)CC2)cc(C)n1 19698255 NINXLPBWHUATEO-JOCHJYFZSA-N 370.541 3.528 0 40 FHAB CCn1cc(-c2cc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)no2)cn1 19719264 KBVKOWXCQGGSCU-MRXNPFEDSA-N 366.421 3.590 0 40 FHAB Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1N1C[C@@H](C(=O)O)CC1=O 226318209 YAVBBCMDSALWRF-ATFGOMPUSA-N 353.462 3.900 0 40 FHAB C[C@@H](NC(=O)[C@H]1CCN(C(=O)c2ccccc2)C1)c1c(F)cccc1Cl 625981321 OOIFZZNENKUVPX-HIFRSBDPSA-N 374.843 3.819 0 40 FHAB CC(=O)c1cccc(S(=O)(=O)N2CCC(CCc3ccccc3)CC2)c1 10680644 AFCIECQMDSXDSR-UHFFFAOYSA-N 371.502 3.923 0 40 FHAB C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCO[C@@H](c2ccc(F)cc2)C1 29657530 CJUJUTJNKFRJPC-JLTOFOAXSA-N 352.409 3.952 0 40 FHAB COc1ccc2ccc(=O)oc2c1[C@H](OC(=O)CC(C)C)C(=O)C(C)C 14500143 OBHRYPZHQYYDFI-FQEVSTJZSA-N 360.406 3.657 0 40 FHAB biogenic,in-vitro CCOC(=O)c1oc2ccccc2c1NC(=O)COc1ccccc1C 4162666 OZVIKWYDLDLUCJ-UHFFFAOYSA-N 353.374 3.935 0 40 FHAB O=C(Nc1cccc(Cl)c1Cl)N[C@@H]1CC(=O)N(c2ccccc2)C1 4359904 NRQDWYWGWKELDI-LLVKDONJSA-N 364.232 3.920 0 40 FHAB COc1cccc(C(=O)NCCOc2cccc(C(F)(F)F)c2)c1OC 22480178 GKEOFJSGDKKHCW-UHFFFAOYSA-N 369.339 3.531 0 40 FHAB CCc1nc2sc([C@H](c3cccc(OC)c3)N3CCCCC3)c(O)n2n1 22853109 RHHSEVGOMWKQOK-INIZCTEOSA-N 372.494 3.643 0 40 FHAB O=C(c1nc2ccccc2s1)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 585149032 RWVUIANQKRLZPC-OAHLLOKOSA-N 350.443 3.861 0 40 FHAB O=C(Cc1ccc(Br)cc1)NC[C@@H]1CCCN1c1ccccc1 207990442 HJLCJXDVCUWMLR-SFHVURJKSA-N 373.294 3.777 0 40 FHAB Cc1cc(NC(=O)CN2C(=O)[C@H]3CCCC3=Nc3ccccc32)ccc1F 102301756 OOPFHMHMZZOOLY-HNNXBMFYSA-N 365.408 3.992 0 40 FHAB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(OC(=O)c4ccccc4)cc3)C(=O)[C@@H]2C1 100744317 XIQJOGWEMFMGQR-MDASCCDHSA-N 363.413 3.831 0 40 FHAB Cc1ccc(-n2nc(C)cc2NC(=O)COc2ccc(F)cc2F)cc1 31712917 ZRGLYJFQKIXZOP-UHFFFAOYSA-N 357.360 3.785 0 40 FHAB CCCc1nc2sc3c(N[C@@H](CC)CO)ncnc3c2c2c1CCC2 2449334 FCZOYQBLWMWKPS-NSHDSACASA-N 356.495 3.864 0 40 FHAB C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1ccc(OC(F)(F)F)cc1 31953550 QBJHSKYDNFVYJS-JTQLQIEISA-N 353.296 3.805 0 40 FHAB Cc1ccc2c(Cl)c(C(=O)N3CCN(c4ncccn4)CC3)sc2c1 2503086 MAADOGGDIKWSGM-UHFFFAOYSA-N 372.881 3.616 0 40 FHAB CCN(CC)C[C@H](C)[C@@H](C)OC(=O)C(O)(c1ccccc1)c1ccccc1 1841031 FYKBYTUHWXJHBK-RBUKOAKNSA-N 369.505 3.832 0 40 FHAB CCOC(=O)Cn1c(SCCOc2ccccc2)nc2ccccc21 11667236 GHDVODLLQNDIOO-UHFFFAOYSA-N 356.447 3.771 0 40 FHAB COc1ccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)cc1Cl 20725696 HXZBEUOYQWWDLT-BEFAXECRSA-N 372.852 3.897 0 40 FHAB Cc1cnc(C(=O)OCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)cn1 7536743 JNIUYBQEDMCPHF-UHFFFAOYSA-N 371.396 3.973 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccccc1F 8040976 IOQIQOSADZFBGX-KRWDZBQOSA-N 358.413 3.762 0 40 FHAB C[C@@H](NC(=O)CSc1nnnn1C1CCCC1)c1cc2ccccc2o1 8314932 YEPSSHGTTWFEQY-GFCCVEGCSA-N 371.466 3.504 0 40 FHAB COc1ccc2nc(N3CCC(NC4CCCCC4)CC3)nc(C)c2c1 12037375 UAKJYPMLUTUBDL-UHFFFAOYSA-N 354.498 3.838 0 40 FHAB CSc1ccc(CN(C)Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1 21923079 FSQVGCWOFIOUFV-UHFFFAOYSA-N 371.531 3.827 0 40 FHAB COc1ccc(OC)c(C(=O)Nc2cc(Cl)c(OC)cc2OC)c1 9550065 VNIDHFDJRXYVLD-UHFFFAOYSA-N 351.786 3.627 0 40 FHAB C[C@@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)N1CCCC1 8327461 SSDJHXCDVCEQKR-QAPCUYQASA-N 367.518 3.962 0 40 FHAB Cc1cccc(C)c1NC(=O)CNC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 103217508 NVUWIQILSQYLOZ-AJHHTPGJSA-N 374.912 3.936 0 40 FHAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2ncnc2N1 703560 WIMGQDOVIDIDFX-KRWDZBQOSA-N 365.824 3.859 0 40 FHAB Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(Br)c3)CC2=O)cc1 712180 FMHZFBRIVJUGBN-ZDUSSCGKSA-N 373.250 3.749 0 40 FHAB COc1ccc(-c2cc(-c3nn4c(-c5ccco5)nnc4s3)no2)cc1 12322554 IBOKQKVWMFOZGR-UHFFFAOYSA-N 365.374 3.776 0 40 FHAB CCOC(=O)Cc1c(C)nc2cc(-c3ccc(C(C)(C)C)cc3)nn2c1O 100642335 QTBLNNOVVVPQKD-UHFFFAOYSA-N 367.449 3.813 0 40 FHAB O=C(CSc1nncs1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 54852970 PMLXRVISESNFPU-UHFFFAOYSA-N 367.459 3.812 0 40 FHAB COC(=O)c1ccc(NC(=S)N2CCCC[C@@H]2c2cccnc2)cc1 1442184 TVWPSPBQWZKCQA-QGZVFWFLSA-N 355.463 3.792 0 40 FHAB biogenic COc1ccc2cc(CCN3C(=O)c4ccccc4C3=O)c(Cl)nc2c1 26422859 HSVLGBIKPHJYBF-UHFFFAOYSA-N 366.804 3.736 0 40 FHAB COc1cccc(-c2cc(C(=O)NCc3ccc(SC)cc3)n[nH]2)c1 57413790 NFUVAONEIFDLKK-UHFFFAOYSA-N 353.447 3.737 0 40 FHAB Cc1ccc(CSc2nc(O)c(Cc3ccccc3)c(=O)[nH]2)c(C)c1 26807274 DCCXLHLOVSPOFG-UHFFFAOYSA-N 352.459 3.975 0 40 FHAB CCCOc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OC 2071180 MQIULYXCQRIMNG-YBEGLDIGSA-N 355.365 3.968 0 40 FHAB CCCCN1CCCC[C@@H]1CNC(=O)Nc1cccc(-c2nnco2)c1 58167246 VDTQKKFUINYSQH-QGZVFWFLSA-N 357.458 3.513 0 40 FHAB COC(=O)c1cccc(NC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)c1 8401607 CXSAXNNFRUVJPY-GFCCVEGCSA-N 369.446 3.782 0 40 FHAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCc1cn2ccccc2n1 10355983 GZLCLAZHKDOVPK-CYBMUJFWSA-N 359.882 3.827 0 40 FHAB CCOC(=O)COc1ccccc1/C=C1\C(=O)N(CC)c2ccccc21 409119843 TXXXAEMYTJENJX-LGMDPLHJSA-N 351.402 3.536 0 40 FHAB O=C(COC(=O)c1ccc(F)cc1Cl)Nc1ccccc1OC(F)F 3271691 GLDWZCLWLOXTDC-UHFFFAOYSA-N 373.714 3.876 0 40 FHAB CC(=O)Nc1cccc(NC(=O)c2cc(C(C)C)nc3onc(C)c23)c1 36357100 AIPOTYSOESSMQW-UHFFFAOYSA-N 352.394 3.865 0 40 FHAB O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cc(=O)c2ccccc2o1 12602448 YFLXOZVXVPMMCP-UHFFFAOYSA-N 363.291 3.986 0 40 FHAB NC(=O)c1ccccc1OCc1csc(COc2ccc(F)cc2)n1 12735981 SLLBWZYSEUSXOF-UHFFFAOYSA-N 358.394 3.539 0 40 FHAB O=C(NC[C@H]1Cc2ccccc2O1)Nc1ccc(-c2nccs2)cc1 48277352 KPMFEFHWRAUMHX-MRXNPFEDSA-N 351.431 3.935 0 40 FHAB COc1ccc2c(CC(=O)N(C)CCOc3ccc(C)cc3)coc2c1 12899063 IYMBQQPKDKISRX-UHFFFAOYSA-N 353.418 3.830 0 40 FHAB O=C(Cc1ccsc1)Nc1ccccc1C(=O)NCCc1ccccc1 12802133 SJLGCRLKOFVNHA-UHFFFAOYSA-N 364.470 3.902 0 40 FHAB CN(C)[C@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1ccco1 3431017 NIJIYSZTAHLMHF-QGZVFWFLSA-N 362.429 3.936 0 40 FHAB COc1ccccc1[C@@H](CNC(=O)Nc1ccc(C)cc1)N1CCCC1 12981217 NCXBZFPQFYEZIX-LJQANCHMSA-N 353.466 3.962 0 40 FHAB CCc1cccc(N2C[C@@H](C(=O)N[C@@H](C)c3cccc(F)c3)CC2=O)c1 12921550 CFCCTFBHJNCKHO-YOEHRIQHSA-N 354.425 3.618 0 40 FHAB C[C@@H](SC(=S)N1CCCC1)C(=O)Nc1ccc(OC(F)F)cc1 21672209 XGWXCRLGFKKZFA-SNVBAGLBSA-N 360.451 3.729 0 40 FHAB CN(Cc1cc2cccc3c2n(c1=O)CC3)C(=O)Nc1ccc(Cl)cc1 13692536 QDPXBTRUSBCQGM-UHFFFAOYSA-N 367.836 3.875 0 40 FHAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)N2CCCCCCC2)c1 65751795 KPJQDBOGLAOVTA-UHFFFAOYSA-N 358.486 3.574 0 40 FHAB CCOc1ccc(OCCCC(=O)Nc2ccc(OC)cc2OC)cc1 5461332 GGXGKNXPNRNDKL-UHFFFAOYSA-N 359.422 3.900 0 40 FHAB CCCn1c(NC(=O)c2cncc(Br)c2)nc2ccccc21 6516425 HCQSOIWYPOUEBQ-UHFFFAOYSA-N 359.227 3.856 0 40 FHAB Cc1ccc(-c2nn3c([C@H]4COc5ccccc5O4)nnc3s2)cc1 4664927 SZVDCKHUMMSRDF-OAHLLOKOSA-N 350.403 3.674 0 40 FHAB COc1ccc2c(C)c(CC(=O)NCc3ccccc3Cl)c(=O)oc2c1 4742851 FHBCCTQJHCGURC-UHFFFAOYSA-N 371.820 3.622 0 40 FHAB O=C(NCc1ccc(Cl)s1)N1CCO[C@H](c2ccccc2F)C1 67041963 SIJQZLVACSXCEO-AWEZNQCLSA-N 354.834 3.824 0 40 FHAB CC(=O)N[C@@H](C)c1ccc(C2=NN=C(Nc3ccc(F)cc3)SC2)cc1 8935584 IIIPQVQIPXZGGU-LBPRGKRZSA-N 370.453 3.942 0 40 FHAB Cc1ccc2nc(CN(C)Cc3ccc(Cl)c(Cl)c3)cc(=O)n2c1 7267378 LEGXFQWFHIPSNI-UHFFFAOYSA-N 362.260 3.942 0 40 FHAB Cc1cc(C)c(C)c(OCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1 22140876 WZVZANCINKVEOI-MRXNPFEDSA-N 355.434 3.639 0 40 FHAB Cc1ccc(F)cc1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 9458882 SFDWBRMRMCCHBO-GOSISDBHSA-N 370.424 3.681 0 40 FHAB Cc1cc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c(C)n1C1CC1 84079536 PWNXBEOOVCHBDN-HUUCEWRRSA-N 368.481 3.701 0 40 FHAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCc2cccnc2)cc1 72329014 SSDOKXHDVPSBCY-UHFFFAOYSA-N 350.422 3.581 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)c1C 95393302 SCRNLTMHRXLEJQ-UHFFFAOYSA-N 372.812 3.510 0 40 FHAB O=C(O)c1cccc(C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1 95445264 ZLIYUBUAWQNTGT-SFHVURJKSA-N 373.836 3.624 0 40 FHAB C[C@@H](CCS(C)(=O)=O)Nc1nc(-c2ccccc2)c2ccccc2n1 95966508 OOBLRSUFCTZOEI-AWEZNQCLSA-N 355.463 3.532 0 40 FHAB O=C(COc1ccc(Cl)cc1)N[C@@H]1CCCN(c2cccc(F)c2)C1 78758613 FSMHPWXAZWAQIX-MRXNPFEDSA-N 362.832 3.643 0 40 FHAB O=C(Nc1cccc(-c2ccccc2)c1)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 518703153 MLLHZDYDNUTVSA-RBUKOAKNSA-N 370.474 3.537 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)c1C 219312201 ZDPCIBOMGMPNRZ-CQSZACIVSA-N 371.462 3.841 0 40 FHAB Cc1cccc(-c2cncc([C@H]3CCCN(C(=O)c4ccncc4)C3)n2)c1 72359507 AOKXVDZWSXDPIB-IBGZPJMESA-N 358.445 3.867 0 40 FHAB Cc1cc(Nc2ccccn2)nc([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 72360041 YMCGWXQXJHOOEY-QGZVFWFLSA-N 365.481 3.820 0 40 FHAB Cc1c(-c2nc3cc(Cl)ccc3o2)cccc1N1C[C@@H](C(=O)O)CC1=O 45887241 AYWAXGGNQQQSGQ-NSHDSACASA-N 370.792 3.894 0 40 FHAB Nn1c(SCc2c(F)cccc2Cl)nc2cc(Cl)ccc2c1=O 71327759 ZHPNKYNKRYSNGJ-UHFFFAOYSA-N 370.236 3.849 0 40 FHAB CSc1ncc(-c2nnsc2C(=O)OC2CCCCCC2)cn1 223854425 CMVQTYOGHMUUND-UHFFFAOYSA-N 350.469 3.597 0 40 FHAB C[C@H]1C[C@@H](C(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 197480492 BMGFKWBYQPNFGZ-DJJJIMSYSA-N 351.402 3.731 0 40 FHAB CSc1ccc([C@H](CC(=O)O)NC(=S)Nc2cc(C)ccn2)cc1 225227851 WSPIIZHGCUGRSC-AWEZNQCLSA-N 361.492 3.614 0 40 FHAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 225475963 STOVFVFLALYVLY-INIZCTEOSA-N 372.896 3.824 0 40 FHAB COc1ccc(Cl)cc1NC(=O)c1ccc(Br)c(N)c1 40297419 VPRNRDVDUOWQAW-UHFFFAOYSA-N 355.619 3.946 0 40 FHAB O=C(O)c1ccc(Br)c(NC(=S)NCc2ccccc2)c1 226345572 KSTLBORXWLXNGB-UHFFFAOYSA-N 365.252 3.634 0 40 FHAB CCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCCC[C@@H]1C 226277123 QPEGXVAGRJRWRD-LBPRGKRZSA-N 372.387 3.767 0 40 FHAB COc1ccc(CN2CC[C@@]3(CCCN(C(=O)c4cccs4)C3)C2)cc1 96047022 GZSDCSKNJIVVJA-NRFANRHFSA-N 370.518 3.885 0 40 FHAB COc1cccc(CN2CCC3(CCN(Cc4ccncc4)CC3)C2)c1 96157459 AIXCQMVDCXQQAC-UHFFFAOYSA-N 351.494 3.578 0 40 FHAB COc1ccc(C(=O)N2CCCC[C@H]2c2cccnc2)cc1-n1cccn1 583652748 OKISUCMBAARIBU-SFHVURJKSA-N 362.433 3.643 0 40 FHAB biogenic Cn1cncc1-c1cncc(C2CCN(Cc3ccc4cc[nH]c4c3)CC2)n1 257216473 CUQHETSHMRJWPF-UHFFFAOYSA-N 372.476 3.738 0 40 FHAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@@H]1c1cccc(Cl)c1 1319301516 URKNMRQMEMCKDI-OAHLLOKOSA-N 356.809 3.612 0 40 FHAB Cc1ccc([C@H](C)CNC(=O)N[C@@H]2CCO[C@H](c3ccncc3)C2)cc1 650897417 CPXBFQSZGYMMLN-AHRSYUTCSA-N 353.466 3.713 0 40 FHAB CC[C@@H](NC(=O)CCCNC(=O)c1cccs1)c1ccc(OC)cc1 57623789 ICYRJXXKAXCPHC-MRXNPFEDSA-N 360.479 3.534 0 40 FHAB CCN(CC)CCC[C@H](C)NC/C=C\CN[C@@H](C)CCCN(CC)CC 5181042 SKSMATDELKNRQJ-POJYLLKHSA-N 368.654 3.743 0 40 FHAB O=C(CCCN1C(=O)c2ccccc2C1=O)Oc1ccc2ccccc2c1 5637437 XUEJQWKZNWAWGU-UHFFFAOYSA-N 359.381 3.822 0 40 FHAB O=C(NCc1ccccc1F)[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 15935479 KGDNNXYDAIVQJI-OAHLLOKOSA-N 373.403 3.525 0 40 FHAB Cc1csc([C@H](Cc2ccsc2)NC(=O)C[C@@H](C)n2cccn2)n1 19240146 ZLSQLKTVPGAXED-HIFRSBDPSA-N 360.508 3.761 0 40 FHAB C[C@H](CCN1CC[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1)c1ccccc1 19455610 WTNDVPBYVSXRMO-YLJYHZDGSA-N 374.488 3.815 0 40 FHAB Cn1nccc1[C@@H]1C[C@@H](NCc2ccc(Cl)c3cccnc23)CCO1 556173625 KXQBJSUEVCKALU-KSSFIOAISA-N 356.857 3.632 0 40 FHAB CCOC(=O)c1c(N)n(-c2cc(F)ccc2F)c2nc3ccccc3nc12 3293415 AVYDAUDGAQGIMT-UHFFFAOYSA-N 368.343 3.611 0 40 FHAB COc1ccc(-c2csc3nc(C)nc(SCCO)c23)cc1OC 3429314 OMIMZQCDBMQVAA-UHFFFAOYSA-N 362.476 3.768 0 40 FHAB Cc1nnc(SCC(=O)Nc2cc(F)ccc2F)n1-c1ccccc1 6109116 RPXOSVXJMUQULI-UHFFFAOYSA-N 360.389 3.585 0 40 FHAB CN(c1ncc(Cl)cn1)C1CCN(Cc2cc(F)cc(F)c2)CC1 1849475711 XHMDAFZXGHFJMK-UHFFFAOYSA-N 352.816 3.509 0 40 FHAB Cc1nccc(CN2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)n1 2037989177 YNBDXHDGWJUZGA-OAQYLSRUSA-N 354.473 3.948 0 40 FHAB O=C(CCF)N1C(=O)C2(CCN(c3ccsc3)CC2)[C@H]1c1ccccc1 1565556421 HRZPDDKECLKKRL-GOSISDBHSA-N 372.465 3.804 0 40 FHAB COc1cccc(-c2ccc(SCC(=O)NCc3ccccc3)nn2)c1 4356490 SWAAYNDHBDHPGW-UHFFFAOYSA-N 365.458 3.561 0 40 FHAB COc1ccc(Cl)cc1C(=O)NCCn1nc(C)c(-c2ccco2)c1C 575614816 JGKSFSSSXXCQDB-UHFFFAOYSA-N 373.840 3.852 0 40 FHAB Cn1cc([C@@H]2CN(C(=O)c3cccc(Cl)c3)Cc3ccccc32)cn1 585409760 RUGGECPCLBXHPL-IBGZPJMESA-N 351.837 3.861 0 40 FHAB Cc1ccc(N2C(=O)CS[C@@]23C(=O)N(C)c2ccccc23)cc1Cl 6996886 NNCBFQIQRJQTDY-SFHVURJKSA-N 358.850 3.558 0 40 FHAB CN(Cc1ccccc1Cl)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 40088291 WAHXAHGVBMSONS-UHFFFAOYSA-N 359.838 3.924 0 40 FHAB CC(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 40128569 NQYLAECMTTWZFO-IBGZPJMESA-N 357.475 3.676 0 40 FHAB COc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2cc(F)cc(F)c2)ccc1O 40266411 YSFGFFHWEDWZBD-AWEZNQCLSA-N 371.343 3.988 0 40 FHAB CC(C)N1CCc2nc3sc(C(=O)Nc4ccccc4)c(N)c3cc2C1 20289867 IGTRFINAXOPXAD-UHFFFAOYSA-N 366.490 3.897 0 40 FHAB CCn1c(SCc2nnc(-c3ccccc3)o2)nc2ccccc2c1=O 887459 OZKHEZRVWZIVGQ-UHFFFAOYSA-N 364.430 3.759 0 40 FHAB CC1(C)[C@]2(C(=O)Nc3ccc(Br)cn3)CC[C@@]1(C)C(=O)C2 1321177 WTCQLVSOOGGDPD-JKSUJKDBSA-N 351.244 3.568 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)Sc1nnc2c(n1)[nH]c1ccccc12 1326046 FGXOEPBVVWLKSN-OUCADQQQSA-N 369.494 3.682 0 40 FHAB CCOC(=O)[C@H](CC)Sc1nnc2c(n1)[nH]c1ccc(Cl)cc12 1366183 MZWSHQKXDLYCRR-NSHDSACASA-N 350.831 3.593 0 40 FHAB CN(C)c1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)cc1 2633606 XFXZHUMNIXCVKL-UHFFFAOYSA-N 367.232 3.855 0 40 FHAB CC[C@@H](C)NC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 3352185 CUPUHYYLVNNZBK-OAHLLOKOSA-N 361.463 3.599 0 40 FHAB Cc1ccc2c(Cn3nnc(-c4ccc(Cl)cc4)n3)cc(=O)oc2c1C 3423615 ZKFNWFCFQGVGDI-UHFFFAOYSA-N 366.808 3.765 0 40 FHAB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OP(=O)(O)O 4027589 BBWXLCKRYRQQPL-ATIWLJMLSA-N 352.367 3.726 0 40 FHAB in-vitro CCOc1ccc(NC(=O)COc2ccccc2OCC)cc1OCC 6259639 VYDUMCGGXRCFOG-UHFFFAOYSA-N 359.422 3.900 0 40 FHAB Cc1cc(NC(=S)NCc2ccc(F)cc2)ccc1N1CCCC1=O 10951486 NUPSYURGCFUSHC-UHFFFAOYSA-N 357.454 3.748 0 40 FHAB CCOC(=O)N1CCC(NC(=O)CCc2cccc(Cl)c2Cl)CC1 32924445 KJHKFTDIJPPSAQ-UHFFFAOYSA-N 373.280 3.663 0 40 FHAB O=C1C[C@H](C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)c2ccccc2N1 37133208 JDHJXZIJEBJERL-INIZCTEOSA-N 374.444 3.827 0 40 FHAB O=C(Nc1ccc(O)cc1)/C(=C\c1cccs1)NC(=O)c1ccccc1 651346 WNKGIVBZSZLISM-QGOAFFKASA-N 364.426 3.863 0 40 FHAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ncccc1O 57313291 WKYIXIAHFZPGQE-PKNBQFBNSA-N 365.414 3.574 0 40 FHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1nnc(-c2ccccc2F)o1 103320414 VYDRLXBWFUHEKR-TYNCELHUSA-N 363.458 3.909 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)o2)cc1 802441 XTNGTGYWVHUUKA-WFASDCNBSA-N 361.467 3.532 0 40 FHAB C[C@H](NC(=O)NC1CCCCCCC1)c1ccc(S(C)(=O)=O)cc1 54103452 PYCLUWDTCJNOMI-AWEZNQCLSA-N 352.500 3.563 0 40 FHAB CCN(Cc1ccccc1)Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 23731143 SFBWNZRWPREOJA-UHFFFAOYSA-N 361.367 3.964 0 40 FHAB O=C1N(Cc2cccnc2)CCCC12CCN(C[C@H]1CC=CCC1)CC2 108525800 FQOZWZDPIUVYIQ-IBGZPJMESA-N 353.510 3.643 0 40 FHAB COc1cccc(/C=C/C(=O)Nc2cnn(Cc3ccccc3)c2)c1OC 58173414 UFRRYRNNDOEUCI-VAWYXSNFSA-N 363.417 3.601 0 40 FHAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(Cl)c(Cl)c1 23779703 FHWVJIYFBQOSHJ-AWEZNQCLSA-N 372.321 3.655 0 40 FHAB CC(C)CC(=O)Nc1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1 24758246 PETXDXWQMFSYMM-UHFFFAOYSA-N 363.417 3.765 0 40 FHAB COc1ccc(-c2nc(COC(=O)c3c(C)nsc3N)cs2)cc1 8544478 BOGOROJMTKCVAX-UHFFFAOYSA-N 361.448 3.523 0 40 FHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1cc(C)c(Cl)cc1OC 25870084 PQEPNJDSGNXAJY-UHFFFAOYSA-N 367.854 3.703 0 40 FHAB CCOc1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1OCC 20037577 JDZFPAWFTGEXQV-UHFFFAOYSA-N 357.406 3.784 0 40 FHAB O=C(CSc1cccc[n+]1[O-])Nc1ccc(Cl)c(C(F)(F)F)c1 3295330 UPTKBPSVOVCTDQ-UHFFFAOYSA-N 362.760 3.723 0 40 FHAB CCOc1ccccc1C(=O)OCC(=O)Nc1ccc(OC)c(Cl)c1 3219418 JAPCMRGKKVNQEB-UHFFFAOYSA-N 363.797 3.543 0 40 FHAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(-c2ccccc2F)o1 58358094 NIAIJYFXPDBKDG-UHFFFAOYSA-N 367.376 3.829 0 40 FHAB CCCN(C(=O)c1[nH]c(C)c(C(=O)OCCOC)c1C)C1CCCCC1 58368924 ADHNCMRACTYZEN-UHFFFAOYSA-N 364.486 3.620 0 40 FHAB CSCc1nnc(SCc2noc(-c3ccc(Cl)cc3)n2)o1 28190115 IOXVUKVOTZDCEB-UHFFFAOYSA-N 354.844 3.928 0 40 FHAB COc1ccc2c(c1)CCN2C(=O)Nc1nc(-c2ccccc2)ns1 58513213 ILLUNLKZIBOWKL-UHFFFAOYSA-N 352.419 3.808 0 40 FHAB C[C@H]1CCCC[C@H]1OCCNC(=O)c1cc(F)ccc1Br 36393522 ICPGFAQNAPQHKK-XHDPSFHLSA-N 358.251 3.913 0 40 FHAB Cc1cc(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)c2ccccc2n1 3393947 GTRGVKNYPFEAFN-HXUWFJFHSA-N 374.440 3.894 0 40 FHAB O=C1OC(Cc2ccccc2)=N/C1=C/c1cc(Br)ccc1O 408839866 WVBOSIWXRQAXRO-GXDHUFHOSA-N 358.191 3.694 0 40 FHAB Cc1nc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)nn1-c1ccc(F)cc1 12771350 YGFDGLSLUDYFFG-NSHDSACASA-N 358.804 3.859 0 40 FHAB COc1cc(/C=C/C(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)cc(OC)c1 12782567 QZLDMCXBXIGAAP-KJMJWJSPSA-N 357.372 3.954 0 40 FHAB C[C@@H](NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1ccc(F)cc1F 12771190 SLINASCZVNGFBR-GFCCVEGCSA-N 373.403 3.874 0 40 FHAB CC(=O)Nc1cccc(NC(=O)c2ccc(COCC(F)(F)F)cc2)c1 12858703 QFYQRPFLZITXBQ-UHFFFAOYSA-N 366.339 3.976 0 40 FHAB COc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 12884890 OPOMVROTYBVYMY-BJRSVTDJSA-N 364.445 3.586 0 40 FHAB Cc1cccc(-c2nnc(S)n2CC(=O)N(C)[C@H](C)c2ccccc2)c1 12916609 UYRPDPZCXKIJGX-OAHLLOKOSA-N 366.490 3.762 0 40 FHAB CCc1cc(SCC(=O)NC(C)(C)C)n2c(nc3ccccc32)c1C#N 3507812 YIJRXTZSJAROOZ-UHFFFAOYSA-N 366.490 3.928 0 40 FHAB COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CCCC(=O)O)cc1 5030465 CDKHZUUVLKBKCR-INIZCTEOSA-N 372.446 3.689 0 40 FHAB O=C1OCC[C@H]1Sc1nnc(-c2ccccc2F)n1Cc1ccccc1 4244427 HQEQZRBTXJATMZ-MRXNPFEDSA-N 369.421 3.540 0 40 FHAB COc1ccc2nc(S[C@H](C)C(=O)Nc3ccc(Cl)cn3)[nH]c2c1 4273699 SDGUYNAIKAIHKO-SECBINFHSA-N 362.842 3.739 0 40 FHAB Cc1noc(C)c1COC(=O)c1cccnc1SCc1c(C)noc1C 5113230 RZRQNLDPFGJDJE-UHFFFAOYSA-N 373.434 3.941 0 40 FHAB CC(=O)OC[C@@]12CO[C@H](c3ccc4c(c3)OCO4)[C@@H](C(C)=C[C@@H]1C)[C@@H]2C 4318380 OTAZKNLOTKUEQR-FGAFXAAGSA-N 358.434 3.884 0 40 FHAB biogenic CCn1ccc([C@H]2NC(=O)c3sc4nc(C(F)F)cc(C)c4c3N2)n1 6396014 QXQRGBYCLVLUSO-CQSZACIVSA-N 363.393 3.613 0 40 FHAB O=C(CSc1nc2ncc(Cl)cc2[nH]1)N1CCCc2ccccc21 5310344 RXONFPAVFFVATG-UHFFFAOYSA-N 358.854 3.683 0 40 FHAB C[C@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1ccc(F)c(Cl)c1 8748746 PLUKFSZWGIBHDB-JTQLQIEISA-N 361.760 3.935 0 40 FHAB O=C(O)CN1C(=O)S/C(=C\c2ccccc2Sc2ccccc2)C1=O 409142955 MFBUGVNLNPMIEQ-GDNBJRDFSA-N 371.439 3.959 0 40 FHAB CN(Cc1ccccc1N1CCCC1)C(=O)COc1ccc2c(c1)CCC2 8745354 KLOIXBYQHMDBJW-UHFFFAOYSA-N 364.489 3.813 0 40 FHAB COC(=O)C1=C(C)N(CCc2cccs2)C(=O)N[C@@H]1c1ccc(F)cc1 14231898 MMIILZIZEDFCIX-QGZVFWFLSA-N 374.437 3.643 0 40 FHAB CC(=O)c1cnn(-c2cc(N3CCCCC3)nc(-c3ccccc3)n2)c1C 5424565 YVNDJJIBKVPFRO-UHFFFAOYSA-N 361.449 3.831 0 40 FHAB CCOc1cccc(C(=O)Nc2nnc(Cc3ccc(OC)cc3)s2)c1 5500945 UEANRMYPMGXZLI-UHFFFAOYSA-N 369.446 3.789 0 40 FHAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3c(C)cccc3C)ccc21 64947100 HFDRAONNPLZSAP-UHFFFAOYSA-N 362.476 3.501 0 40 FHAB O=C1N/C(=N\c2ccc(F)c(Cl)c2)S/C1=C/c1ccc(O)c(O)c1 110701186 YLSQCLISZNTMIQ-MKMNVTDBSA-N 364.785 3.782 0 40 FHAB CCOC(=O)[C@@H]1C(=O)C[C@@](O)(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 4901022 DDDMZQZGOCQJOC-SLYNCCJLSA-N 372.848 3.854 0 40 FHAB CCOC(=O)c1sc(NC(=O)c2cc3ccccc3oc2=O)cc1C 4948919 KMUMBKJMSNHMMI-UHFFFAOYSA-N 357.387 3.592 0 40 FHAB O=C(c1ccco1)N1N=C(c2ccccc2)C[C@H]1c1ccc2c(c1)OCO2 8843942 BIGJIRYRNLJYRF-KRWDZBQOSA-N 360.369 4.000 0 40 FHAB O=C(OCc1cc(=O)oc2cc(O)ccc12)c1cccc(C(F)(F)F)c1 5981215 ORTDNEGYLGUXJP-UHFFFAOYSA-N 364.275 3.874 0 40 FHAB Cc1ccccc1CSCC(=O)N1c2ccccc2NC(=O)C1(C)C 7208752 JPCATHXOSIYMRG-UHFFFAOYSA-N 354.475 3.992 0 40 FHAB CCCC12CN3CC(C)(CN(C1)C3c1c(C)n(CC)c3ccccc13)C2=O 19322803 NSJJGTWKCCCOQT-UHFFFAOYSA-N 365.521 3.975 0 40 FHAB biogenic O=C(CSc1ncnc2sccc12)c1ccc(N2CCCC2=O)cc1 7729541 ANCIOOCHOOOEKV-UHFFFAOYSA-N 369.471 3.793 0 40 FHAB CCc1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1 9192256 DYFIYQBWBCYRER-UHFFFAOYSA-N 374.868 3.757 0 40 FHAB CC(=O)c1ccc(OC(=O)CCCc2nc(-c3ccccc3)no2)cc1 16705385 VHLVGZAEBUDUSI-UHFFFAOYSA-N 350.374 3.868 0 40 FHAB O=C(O)CCOc1ccc(/C=C(\Cl)c2nc(O)c3ccccc3n2)cc1 96307296 YITPYFZOXIBPJW-PTNGSMBKSA-N 370.792 3.926 0 40 FHAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(OC(F)F)cc1 9678663 VDKPMVZYUIKGEF-UHFFFAOYSA-N 371.347 3.529 0 40 FHAB O=C(NC1CCOCC1)c1cccnc1Nc1cccc(C(F)(F)F)c1 95365192 QZQHNRLYCHLLEB-UHFFFAOYSA-N 365.355 3.753 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 175126087 WTYIXQLZCXLIKQ-SUMWQHHRSA-N 361.413 3.878 0 40 FHAB CC(C)(C)c1nc(CN(Cc2ccccc2)C[C@H](O)c2ccco2)no1 75108131 QDDHDUFXXWUNTQ-INIZCTEOSA-N 355.438 3.696 0 40 FHAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc(F)cc2)cc1 22533918 CACOJPZBQRQBBA-SFHVURJKSA-N 351.443 3.900 0 40 FHAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccco3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409103730 FHVWHXDBIXWBFF-UVWXRNBGSA-N 358.360 3.805 0 40 FHAB Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)c1ccoc1C 32609819 CUKCQDHDVNEBFF-UHFFFAOYSA-N 361.348 3.968 0 40 FHAB CC(C)(C)OC(=O)N1CCN[C@@](c2ccc(Cl)cc2)(C(F)(F)F)C1 306145548 IFOCWRTZIZEBTN-HNNXBMFYSA-N 364.795 3.938 0 40 FHAB Cc1cccc(-c2nc(CSc3nc4ccsc4c(=O)n3C)no2)c1 32330422 HLHAAMSJMKPGIR-UHFFFAOYSA-N 370.459 3.646 0 40 FHAB CCn1cc([C@H]2OCCC[C@@H]2NC(=O)Nc2ccc3ncsc3c2)cn1 548339101 LXBYLNWJWMHXOY-DOTOQJQBSA-N 371.466 3.555 0 40 FHAB O=C(CCc1c(-c2ccccc2)[nH]c2ccccc12)Nc1ccc(O)nn1 1523864764 SRWROSYFFXZFID-UHFFFAOYSA-N 358.401 3.902 0 40 FHAB Cc1ccc(-c2ocnc2C(=O)N=c2cc[nH]c(C)c2Br)cc1 527340864 QIXBCUONEKJFRA-UHFFFAOYSA-N 372.222 3.790 0 40 FHAB CC1(C)CC(NC(=O)c2ncsc2Nc2ccccc2)CC(C)(C)N1 1540573113 LTTSPWPPDOBLAD-UHFFFAOYSA-N 358.511 3.926 0 40 FHAB COC(=O)c1ccc(CN(C)C(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 30210962 MIAHQRCDJMSSBC-ZDUSSCGKSA-N 361.825 3.553 0 40 FHAB C(=C\N1CCN(c2ccccc2)CC1)\C=C\N1CCN(c2ccccc2)CC1 31667147 MHXRSOOLNSFARD-MFUUIURDSA-N 374.532 3.658 0 40 FHAB O=C(NCc1csc(-c2ccccc2)n1)c1ccc(CN2CCCC2)o1 32647780 UVLBOILQRCTAGC-UHFFFAOYSA-N 367.474 3.929 0 40 FHAB CCOC(=O)c1cnc(SCc2ccc(Cl)cc2Cl)nc1N 32285650 DMSRRTOPTSWSKM-UHFFFAOYSA-N 358.250 3.835 0 40 FHAB COc1ccc2cc(C(=O)N[C@@H](C)c3ccccc3)sc(=O)c2c1OC 1565524535 KCUPBIWPLYFGLB-LBPRGKRZSA-N 369.442 3.770 0 40 FHAB Cc1c(C(=O)Nc2nc(-c3cccnc3)cs2)cnn1-c1ccccc1 72403416 CAANIGXOTQAFGB-UHFFFAOYSA-N 361.430 3.952 0 40 FHAB O=C(/C=C/c1cccs1)NCC1CCN(C(=O)c2ccccc2F)CC1 44006314 JWZWCBZCIGUNAU-BQYQJAHWSA-N 372.465 3.569 0 40 FHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 223032192 MPMSPISOXUKQSS-RBUKOAKNSA-N 370.522 3.617 0 40 FHAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(CN3CCCC3)cc2)cc1 44852953 SLDYUOIDNUWBJW-GOSISDBHSA-N 352.478 3.788 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)CSCc2ccccc2F)cc1 222706729 ZPAGCJMYKMENJW-CQSZACIVSA-N 363.454 3.651 0 40 FHAB Cc1cc(OCC(=O)Nc2c(C)cccc2C)nc(N2CCC(C)CC2)n1 44169097 OORICGIOULVUFZ-UHFFFAOYSA-N 368.481 3.656 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)NCCCc1ccc(OC(C)C)cc1 225597404 ZOKGWFSQKDATCX-UHFFFAOYSA-N 365.470 3.832 0 40 FHAB CCCOCc1cc(C(=O)Nc2ccccc2C(=O)OC)ccc1OC 224416059 GXLWDSVWEALDRT-UHFFFAOYSA-N 357.406 3.661 0 40 FHAB CCCCCNC(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 225274237 BTMZHUKIVUHFGY-UHFFFAOYSA-N 374.934 3.501 0 40 FHAB O=C(c1ccc(NC(=S)NCCCc2ccco2)cc1)N1CCCCC1 225805669 DMUALKATXNQHRU-UHFFFAOYSA-N 371.506 3.825 0 40 FHAB Cc1nc(NC(=S)NCc2ccco2)c(Br)cc1Cl 223900553 MYSYSNJYSRDAHS-UHFFFAOYSA-N 360.664 3.886 0 40 FHAB Cc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222666011 NOKGIENEFZJROF-SFHVURJKSA-N 366.505 3.870 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 223591998 FGRJBEJDFVNATC-MRXNPFEDSA-N 372.896 3.744 0 40 FHAB O=C(NCCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl 42646022 YSNDUWRVYDWWTN-UHFFFAOYSA-N 371.651 3.944 0 40 FHAB CN1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2N)CC1 226265370 ZFEOBPOQRFXXIP-UHFFFAOYSA-N 366.509 3.570 0 40 FHAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2ccccc2CN2CCCC2)c1 224782985 DSHCLCDGQRDLOO-IBGZPJMESA-N 366.505 3.983 0 40 FHAB CCN1CCN([C@H](C)CNc2ccc3ccc(Cl)c(Cl)c3n2)CC1 95986616 GNYOCVOWJLTFBO-CYBMUJFWSA-N 367.324 3.980 0 40 FHAB CN(Cc1ccco1)[C@@H]1CN(Cc2ccc(F)cc2)C[C@@H]2CCCO[C@@H]21 96057144 LRSFRBQZLJKHQT-WMQCIHAUSA-N 358.457 3.530 0 40 FHAB O=C(c1ccc2ccccc2n1)N1CCC(c2cccc3nccn23)CC1 257334566 YGLXXOFFOBVNMO-UHFFFAOYSA-N 356.429 3.902 0 40 FHAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1)c1ccccn1 257287709 PRESWCZVNRMVKO-HDJSIYSDSA-N 368.462 3.897 0 40 FHAB COC(=O)c1ccc2[nH]cc(C3CCN(Cc4ncccc4F)CC3)c2c1 1653128758 LMVPKHIKKANUAC-UHFFFAOYSA-N 367.424 3.868 0 40 FHAB Cc1n[nH]c(C)c1CNC(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 606442522 QJHPFZWLSJJVAZ-GOSISDBHSA-N 362.424 3.798 0 40 FHAB Brc1ccc(CN2CCC[C@@H](COc3ncccn3)C2)s1 1776009495 GIOMGASNVMZLRQ-GFCCVEGCSA-N 368.300 3.592 0 40 FHAB O=C1CCC/C=C\C[C@H]2[C@@H](O)C[C@@H](O)[C@@H]2/C=C/[C@H](CCc2ccccc2)O1 299817289 RIBUBQDYGJHEOM-KDACTHKWSA-N 370.489 3.575 0 40 FHAB in-vitro Cc1cc(C)nc(N2CCC[C@@]3(CCC(=O)N3Cc3ccccc3)CC2)n1 585100648 RTEXTBKSSQJMMZ-JOCHJYFZSA-N 364.493 3.645 0 40 FHAB O=C(/C=C/c1cn(Cc2ccccc2)nn1)N1CCC[C@@H]1C1CCCC1 56034324 WPZGJNZKMHLQNO-DRUFCSCSSA-N 350.466 3.521 0 40 FHAB CN(CC1CCCC1)S(=O)(=O)c1cc(Cl)ccc1OCC1CC1 1653813618 NTSRKHYOQZPZBL-UHFFFAOYSA-N 357.903 3.940 0 40 FHAB CCc1ccc(N2C(=O)/C(=C\c3ccc(O)cc3)C(C(=O)OC)=C2C)cc1 8085608 QAJBIORMKHYKQA-UYRXBGFRSA-N 363.413 3.832 0 40 FHAB CCCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CCC(=O)O 5952023 DRESPKIWRJNSOG-UHFFFAOYSA-N 361.419 3.785 0 40 FHAB CCc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCCC3)cc2)cc1 5950098 QVNYPITXWSLCNB-UHFFFAOYSA-N 367.518 3.972 0 40 FHAB COc1ccc(CN2[C@H]3CC[C@@H]2CC(NC(=O)c2cccc(F)c2)C3)cc1 12481199 IEQRSGUEQUJCKC-IHWFROFDSA-N 368.452 3.760 0 40 FHAB CC1CCN(CCCNC(=O)CSCc2cccc(Cl)c2)CC1 13669502 XEDDVLUOHDNVEG-UHFFFAOYSA-N 354.947 3.811 0 40 FHAB O=C(NC(=S)Nc1cccc(Br)c1)c1ccccc1F 14553362 SXEGEIZRVMMILA-UHFFFAOYSA-N 353.216 3.715 0 40 FHAB C[C@H]1CN(C(=O)COc2cccc3ccccc23)c2ccccc2NC1=O 15859052 CYNDPUGUUNGVBK-HNNXBMFYSA-N 360.413 3.840 0 40 FHAB CCOC(=O)c1ccc(NC(=O)CSc2cnc3ccccc3n2)cc1 16687869 SBAXSIWOZLTCBJ-UHFFFAOYSA-N 367.430 3.537 0 40 FHAB COC(=O)C(=C\c1ccc(OC)cc1)/C(C(=O)O)=C(\C)c1ccccc1 16958109 ZDZQBUYPFIHYOD-SXQSXHJWSA-N 352.386 3.810 0 40 FHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@@H](C)Oc2cccc(F)c2)c1 19078598 WGAKYKNLOHPPCL-KUHUBIRLSA-N 373.424 3.974 0 40 FHAB CC(=O)N1CC[C@@H]2[C@H]1CCCCN2Cc1nc2ccccc2n1C(C)C 19712570 JCEIIRKGMJUUOW-WOJBJXKFSA-N 354.498 3.593 0 40 FHAB Cc1n[nH]c(C)c1[C@H](C)NC(=O)CC1CCN(CCc2ccccc2)CC1 19748480 XMORHHDMAOSGFV-INIZCTEOSA-N 368.525 3.549 0 40 FHAB O=C(c1ccccc1)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21 19369019 AXYQKKJMPZRMII-HBMCJLEFSA-N 352.453 3.966 0 40 FHAB O=C(NCC1(c2ccsc2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 1888929671 SFCUCUQSSLUQAV-UHFFFAOYSA-N 368.380 3.553 0 40 FHAB c1ccc(-c2nc(CN3CC[C@@H]4CN(c5ccccn5)C[C@@H]43)cs2)cc1 1889205957 IFSFBMZUMINXBB-MJGOQNOKSA-N 362.502 3.916 0 40 FHAB O=C(NC(c1ccccc1)c1ccccc1)N1CC(Oc2cccnc2)C1 238836892 GXSICURQOAMCNS-UHFFFAOYSA-N 359.429 3.644 0 40 FHAB Nc1c(-c2nc(-c3ccccc3)no2)nnn1-c1cccc(C(F)(F)F)c1 4316509 IUCCRYMZCYTRKE-UHFFFAOYSA-N 372.310 3.585 0 40 FHAB O=C(Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)Nc1cccs1 22506308 NJFVQXXVXAFOSK-UHFFFAOYSA-N 371.871 3.585 0 40 FHAB Cc1cc(C)cc(N2C(=O)[C@@H]3N=NN(c4ccc(F)c(Cl)c4)[C@H]3C2=O)c1 23125740 YONAABIEVDSBOE-HZPDHXFCSA-N 372.787 3.594 0 40 FHAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(OC2CCOCC2)nc1 225711348 CSIGKWJPZRGJKA-UHFFFAOYSA-N 366.339 3.911 0 40 FHAB O=C(CCS(=O)(=O)C1CCCC1)Nc1ccccc1Cc1ccccc1 40120679 WPGPIKLOJCCGOH-UHFFFAOYSA-N 371.502 3.963 0 40 FHAB O=C(NCCOc1ccc2c(c1)OCO2)c1cc2c(s1)CCCCC2 40121775 YFSVGLHGIGHOMN-UHFFFAOYSA-N 359.447 3.555 0 40 FHAB Cc1cc(=O)c(C(=O)N[C@@H](C)c2ccccc2)nn1-c1ccccc1Cl 17323427 NAIRUDYBTOYDCI-AWEZNQCLSA-N 367.836 3.685 0 40 FHAB CCOc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)COC)c2)cc1 1006578 UVNPTSFUYWAVMN-UHFFFAOYSA-N 362.813 3.576 0 40 FHAB COc1cc(C(=O)Nc2cccc3ccc(O)cc23)cc(OC)c1OC 1440310 WIKJRGZFZJJRNL-UHFFFAOYSA-N 353.374 3.824 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 20716766 CWHOCXRIPOKVIW-HNAYVOBHSA-N 372.852 3.897 0 40 FHAB CCCN1[C@H]2CCC[C@@H]1CC(NC(=O)c1ccc(Br)cc1)C2 4887180 SCKFSSSZHLIFAQ-ALOPSCKCSA-N 365.315 3.974 0 40 FHAB CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@H]1c1ccc(OC)c(OC)c1 4910051 ZVEZJDILYIWUDM-LJQANCHMSA-N 367.405 3.642 0 40 FHAB O=C(COC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)Nc1ccc(SC(F)F)cc1 102190291 JLLWIQCBFKWXRF-COPLHBTASA-N 353.390 3.695 0 40 FHAB O=C1c2ccccc2C(=O)N1CCSc1nc2ccc(Cl)cc2o1 6399792 JMRMKBUFOPWGKS-UHFFFAOYSA-N 358.806 3.870 0 40 FHAB Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c(C)c1 7212937 HWQXCKFFQFITLA-MRXNPFEDSA-N 373.250 3.810 0 40 FHAB COc1cc(S(=O)(=O)Nc2ccc(Br)c(C)c2)ccc1F 7361004 YLQAKXDHDBQNNV-UHFFFAOYSA-N 374.231 3.706 0 40 FHAB CCOC(=O)[C@H]1CCCN(C(=O)c2sc(-c3cccs3)nc2C)C1 32841551 LIXQBEUFLXFZHE-LBPRGKRZSA-N 364.492 3.595 0 40 FHAB Cc1cccc(OCC(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 11999858 WIQVYDQUYQJXBC-UHFFFAOYSA-N 350.418 3.921 0 40 FHAB CCOC(=O)COc1cccc(NC(=O)c2c(F)cccc2Cl)c1 33189712 OQKATCKDRGXJJT-UHFFFAOYSA-N 351.761 3.673 0 40 FHAB COCCOc1ccccc1C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 52998295 CJCSKZHNGGTUNJ-ZDUSSCGKSA-N 365.376 3.804 0 40 FHAB Cc1cc(C)c(CS(=O)(=O)CC(=O)N(C)C2CCC(C)CC2)c(C)c1 72093331 NIKHYOGHRWLSSF-UHFFFAOYSA-N 365.539 3.564 0 40 FHAB Cc1sc(N2CCN(C)CC2)nc1-c1ccc(NC(=O)C(C)(C)C)cc1 8225542 KTKZVTHKXNGNJE-UHFFFAOYSA-N 372.538 3.855 0 40 FHAB Cc1ccc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 22533637 HFFGWYAIHTXESH-GFCCVEGCSA-N 366.870 3.511 0 40 FHAB O=C(NCc1ccccc1OCc1ccccc1)c1cccnc1S 54033682 NVRZUWHROIIQQQ-UHFFFAOYSA-N 350.443 3.879 0 40 FHAB O=C1C(Cl)=C(NC2CCCCCCC2)C(=O)N1CCc1ccccc1 936569 PRLFJQQLVMYNHH-UHFFFAOYSA-N 360.885 3.751 0 40 FHAB CC(C)c1ccc(NC(=O)c2cc3c(=O)n4ccccc4nc3n2C)cc1 2917107 BKGWFIWIPDBMGZ-UHFFFAOYSA-N 360.417 3.562 0 40 FHAB CCOc1ccccc1NC(=O)c1ccc(OCc2nccn2C)cc1 47517085 XBEUCWHLNHRYCP-UHFFFAOYSA-N 351.406 3.650 0 40 FHAB COc1cc(OC)cc(C(=O)OCc2nc3ccccc3n2C(F)F)c1 12506144 GYXWEDDVMAHKBN-UHFFFAOYSA-N 362.332 3.806 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCCc1cccc(OC)c1 20050187 UOMTZRUSZPCKNX-FQEVSTJZSA-N 357.450 3.610 0 40 FHAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)CCCOc1ccc(C(C)(C)C)cc1 58061065 RHXKNTGBATXXFN-CVEARBPZSA-N 362.514 3.563 0 40 FHAB CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3cccc(F)c3)oc2c1 12524238 ZNQPOLYVIXOOPA-ATJXCDBQSA-N 353.397 3.749 0 40 FHAB Cc1cccc(N2CCN(C(=O)c3cc4ccc(F)cc4nc3C)CC2)c1 12555720 UNLAYWUSHADQQH-UHFFFAOYSA-N 363.436 3.953 0 40 FHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cccc(-n2cccc2)c1 12553111 RYOINYOPIHUJHH-UHFFFAOYSA-N 370.456 3.994 0 40 FHAB C[C@H](c1nc2ccccc2s1)N(C)C[C@@H](O)COc1ccc(F)cc1 24954315 SMTLLCZTTANBQR-UKRRQHHQSA-N 360.454 3.868 0 40 FHAB COC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1 24256623 CRNPLXKJAWXZAF-UHFFFAOYSA-N 360.218 3.581 0 40 FHAB C[C@@H](Nc1nc2ccccc2n1C)c1cc(F)ccc1N1CCC(O)CC1 91482102 ANVOKKAEWYYZCU-CQSZACIVSA-N 368.456 3.847 0 40 FHAB Cc1cc(C(=O)O)ccc1NC(=S)NC(=O)c1ccc2ccccc2c1 20152248 QWCRAJLPUHTPSY-UHFFFAOYSA-N 364.426 3.973 0 40 FHAB O=C(COC(=O)c1cccc(C(F)(F)F)c1)NCc1ccc(Cl)cc1 3270451 FEPYXPNMAXQFPU-UHFFFAOYSA-N 371.742 3.832 0 40 FHAB O=C(Nc1cccc(C2SCCCS2)c1)c1cn2cccnc2n1 56163444 PHQAPUGEKRQMSV-UHFFFAOYSA-N 356.476 3.850 0 40 FHAB c1csc(CN2CC[C@@H]3OCCC[C@@]3(COCc3ccncc3)C2)c1 107712388 ZUZCLTRYPZAVFM-PMACEKPBSA-N 358.507 3.731 0 40 FHAB O=C(O)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1O 20138474 UCDYVGYTLAHWAD-UHFFFAOYSA-N 370.586 3.759 0 40 FHAB CC(C)c1ccc([C@@H](CNC(=O)c2csnn2)N2CCCCC2)cc1 35673450 HFMXOMIKJGXELC-GOSISDBHSA-N 358.511 3.619 0 40 FHAB CCN(CC)CCOC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 2069603 IBZWLYHKKLHJQI-UHFFFAOYSA-N 358.413 3.577 0 40 FHAB O=C(NC1CCN(C(=O)CCCC2CCCCC2)CC1)c1cccnc1 58018630 LMPOPIBCZJDDOE-UHFFFAOYSA-N 357.498 3.553 0 40 FHAB Cc1cc(=O)oc2cc(OCC(=O)N[C@H](C)CCc3ccccc3)ccc12 2148732 ZADITRSPWMAPBV-MRXNPFEDSA-N 365.429 3.618 0 40 FHAB biogenic C[C@@]1(C(=O)OCC(=O)Nc2ccc3ccccc3c2)CC1(Cl)Cl 3302386 OMSAMJHCTBPJHS-INIZCTEOSA-N 352.217 3.905 0 40 FHAB Cc1nc2ccc(NC(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)cc2s1 10404448 GAKGVNVAAPZUTP-CYBMUJFWSA-N 355.394 3.808 0 40 FHAB CCOc1ccc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)cc1 3376303 BYSXPKVNDFFRGL-UHFFFAOYSA-N 367.323 3.900 0 40 FHAB Cc1nc(-c2ccccc2)sc1C(=O)O[C@H](C(N)=O)c1ccccc1 10841343 NNXNXPHQHZXOPW-HNNXBMFYSA-N 352.415 3.502 0 40 FHAB Cc1ccc(NC(=O)CSc2nncn2CCc2cccs2)cc1C 10958228 LGZUYLXRAKYSNP-UHFFFAOYSA-N 372.519 3.930 0 40 FHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)COc2cccc(C)c2)c1 12754616 VXJQUMNVWMAZDN-IBGZPJMESA-N 355.434 3.755 0 40 FHAB CCOc1ccccc1Oc1ccc(CNC(=O)Nc2cc(C)on2)cn1 48354302 HWPAKDIVPFBCHZ-UHFFFAOYSA-N 368.393 3.891 0 40 FHAB Cc1cc(=O)oc2cc(OCC(=O)N3CCC[C@H]3c3cccs3)ccc12 12849271 HLCHMKMIGSKWPS-INIZCTEOSA-N 369.442 3.905 0 40 FHAB COc1ccc([C@H]2CCCN2CC(=O)NCc2ccccc2Cl)cc1 12894806 JIMFUMFCHJPVPX-LJQANCHMSA-N 358.869 3.802 0 40 FHAB CC1=C(C)C[C@@H](C(=O)Nc2sccc2C(=O)OC(C)C)[C@@H](C(=O)O)C1 17075085 PRYRDYOUSIGFQQ-KGLIPLIRSA-N 365.451 3.699 0 40 FHAB CC(C)Oc1ccc(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)cc1 3544877 VVNNECFXSHGUME-HNNXBMFYSA-N 353.418 3.608 0 40 FHAB CCOc1ccc(C(=O)N[C@H](C(=O)Nc2cc(F)ccc2C)C(C)C)cc1 3566299 RMSARVBIVHSFPX-IBGZPJMESA-N 372.440 3.926 0 40 FHAB O=C(NCc1ccccc1F)c1csc(COc2ccc(F)cc2)n1 13013185 XHMAXQCXYRLHTF-UHFFFAOYSA-N 360.385 3.930 0 40 FHAB CC(=O)c1cccc(N2C(=O)N3CCc4c([nH]c5ccccc45)[C@@]3(C)C2=O)c1 4073129 OMBLCBXOOKTLES-QFIPXVFZSA-N 373.412 3.611 0 40 FHAB biogenic COc1ccccc1N1CCN(C(=O)c2cc3c(s2)CCCC3)CC1 5094234 SZZDBHDVQULIKU-UHFFFAOYSA-N 356.491 3.598 0 40 FHAB CCOC(=O)[C@H](Sc1nnnn1-c1ccc(Cl)cc1)c1ccccc1 5014625 FTCDTEQORHHWLK-OAHLLOKOSA-N 374.853 3.712 0 40 FHAB C=C=CSc1nnc(-c2nn(-c3ccc(Cl)cc3)ccc2=O)n1CC 6176623 IIJMNYRRQSXMJO-UHFFFAOYSA-N 371.853 3.555 0 40 FHAB O=C(c1ccccc1)C1CCN(Cc2cc(=O)oc3cc(O)ccc23)CC1 14094055 UJCZIVJDWDPSSS-UHFFFAOYSA-N 363.413 3.594 0 40 FHAB O=C(O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1cnccn1 6486125 PYBZYNVUMLXJTJ-HXUWFJFHSA-N 357.369 3.739 0 40 FHAB Cc1nc(-c2ccccn2)sc1C(=O)N(C)Cc1ccc2c(c1)OCO2 14138833 TVHFNSZCOZJXKF-UHFFFAOYSA-N 367.430 3.514 0 40 FHAB COc1ccc(CCNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1OC 4698760 HTDZSBANADJCCP-UHFFFAOYSA-N 358.825 3.811 0 40 FHAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2OC(F)F)NC(=O)N1 5517845 OJKCAKBMLLXYQV-INIZCTEOSA-N 373.359 3.555 0 40 FHAB O=C(Oc1ccc(Cl)cc1N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccco1 18241701 FLTWDMYJNGXVLN-BETUJISGSA-N 373.792 3.832 0 40 FHAB Cc1nnc(SCC(=O)N2c3ccccc3S[C@@H]3C=CC=C[C@H]32)s1 408541401 APJUWSZLYKEQDD-TZMCWYRMSA-N 373.528 3.941 0 40 FHAB O=C(Nc1ccc(N2CCOCC2)cc1)C1(c2ccc(Cl)cc2)CC1 4901706 JKMGKBPVNSPNHG-UHFFFAOYSA-N 356.853 3.847 0 40 FHAB C[C@@H](Sc1nc(-c2ccccc2)cc(=O)[nH]1)C(=O)Nc1ccccc1 4999472 SMKQAWGWPXPVIJ-CYBMUJFWSA-N 351.431 3.556 0 40 FHAB CN(C(=O)CSc1nnc(-c2ccccc2F)n1C)C1CCCCC1 4947302 SCVRIGCOBCUIMP-UHFFFAOYSA-N 362.474 3.504 0 40 FHAB O=C(NCCc1ccccc1)c1cc(-c2ccc(Br)cc2)[nH]n1 6942216 LJYPFZWAYSIVLX-UHFFFAOYSA-N 370.250 3.812 0 40 FHAB COc1cccc(OC)c1C(=O)Nc1cnn(Cc2ccc(C)cc2)c1 27919966 MEZVDABMCXLXSO-UHFFFAOYSA-N 351.406 3.509 0 40 FHAB Cc1cccc(N2CCN(CC(=O)c3ccc(Br)cc3)CC2)c1 67206379 CUBMZHBDVARFOP-UHFFFAOYSA-N 373.294 3.762 0 40 FHAB CC(C)CC(=O)Nc1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 15618269 GYGLJDUPLVSPRW-GJZGRUSLSA-N 352.500 3.623 0 40 FHAB CC(C)c1ccc(C(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)cc1 7425978 DLIGPTSIQSAZLL-UHFFFAOYSA-N 372.428 3.589 0 40 FHAB O=C(COC(=O)COc1ccc(Cl)cc1)Nc1ccc(Cl)cc1F 7482737 JZNHKNJFDVHRCH-UHFFFAOYSA-N 372.179 3.693 0 40 FHAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1COc2ccccc2O1 9512173 NLTGJZPXIZBAIC-BLLLJJGKSA-N 354.431 3.656 0 40 FHAB CC(C)c1n[nH]c(SCc2cc3c(cc2Br)OCO3)n1 9836530 RIYXELXPLUVQBK-UHFFFAOYSA-N 356.245 3.712 0 40 FHAB CS[C@H]1CN(Cc2cc(F)ccc2Br)C[C@@H]1N1CCCC1 95941528 FOYRNYWBYRZHIU-HOTGVXAUSA-N 373.335 3.600 0 40 FHAB C[S@](=O)c1cccc(NC(=O)N[C@@H](c2ccccc2)C(F)(F)F)c1 95960202 BZXCJBIBVKMCGH-LFPIHBKWSA-N 356.369 3.849 0 40 FHAB Cc1nc(C(C)C)sc1[C@@H](C)N(C)CC(=O)NC(=O)Nc1ccccc1 89558930 XQCBKIKMWVKOIZ-CQSZACIVSA-N 374.510 3.916 0 40 FHAB Cc1cc(C)c(C)c(OCC(=O)N(C)Cc2nnc(-c3ccccc3)o2)c1 408714001 GDVXKDWSWPPQSG-UHFFFAOYSA-N 365.433 3.699 0 40 FHAB CCN1CCC[C@]2(CN(Cc3ccc(Cl)cc3)CC(F)(F)C2)C1=O 306140689 VAWCZITXYCBVBD-KRWDZBQOSA-N 356.844 3.810 0 40 FHAB O=C(CN1C(=O)S/C(=C/c2ccncc2)C1=O)c1ccc(Cl)cc1 409320213 CHNKBENHNLMPGJ-OQLLNIDSSA-N 358.806 3.654 0 40 FHAB COc1cccc(NC(=O)N2CCOc3nc4c(C)cccc4cc3C2)c1 72392250 ODNREJLPTFMESI-UHFFFAOYSA-N 363.417 3.978 0 40 FHAB O=C1C[C@H](NC2CC(c3cccc(F)c3)C2)CN1c1c(F)cccc1F 541216207 FJAZHWNCHLGRLD-BCLQGDPASA-N 360.379 3.745 0 40 FHAB CN(Cc1coc(-c2ccc(F)cc2)n1)C[C@H]1COc2ccccc2O1 37162760 FOMKDQKFGKAGJB-KRWDZBQOSA-N 354.381 3.753 0 40 FHAB CCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCCCC1 217450167 YQAGNVWZTPRYSX-UHFFFAOYSA-N 368.499 3.598 0 40 FHAB Cn1cc(CN2CCC[C@@H](c3cccc(Cc4cccc(F)c4)n3)C2)cn1 72349981 XZAXKNKJOKNFJD-LJQANCHMSA-N 364.468 3.925 0 40 FHAB Cc1cc(Br)cnc1NC(=S)NCc1ccc(F)cc1 223946948 QIMIVGPUVUEJBH-UHFFFAOYSA-N 354.248 3.778 0 40 FHAB CC[C@H]1CCCCN1CCCNC(=S)Nc1ccc(OC)c(OC)c1 225581237 ANBDSRVIBSHBDZ-INIZCTEOSA-N 365.543 3.645 0 40 FHAB COc1ccccc1OCCNC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 225140459 GILJHMISXOFNJW-INIZCTEOSA-N 369.461 3.537 0 40 FHAB COc1ccc(C(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1OC 224282262 QQYQJSRYJMRXFU-UHFFFAOYSA-N 369.352 3.678 0 40 FHAB Nc1cc(C(=O)N2CCCC2)ccc1N1CCC(Cc2ccccc2)CC1 225438589 CPBSYNUBMMGMOS-UHFFFAOYSA-N 363.505 3.964 0 40 FHAB CO[C@](C)(C(=O)Nc1ccc(OCCN2CCCCCC2)cc1)C1CC1 225644086 LGAXDMIVXQIKSE-NRFANRHFSA-N 360.498 3.695 0 40 FHAB O=C(c1ccc(F)c(F)c1)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 98212250 CRWHFXSIDSNWAV-MRXNPFEDSA-N 355.344 3.992 0 40 FHAB Cc1nc(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)c(-c2ccccc2)s1 331855531 FHDSMTRATAKQSD-INIZCTEOSA-N 370.396 3.648 0 40 FHAB Cc1cccc(CN2[C@H](c3ccccc3F)C[C@]3(C)NC(=O)CCC[C@H]23)n1 257205587 AZTPPIUMYDMTOR-ONTIZHBOSA-N 367.468 3.904 0 40 FHAB COc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(OC)c1 260777703 QLKRUNSLKXAZMQ-OCBCSQNSSA-N 355.463 3.688 0 40 FHAB CC(C)Sc1ccc(CC(=O)N2CCCSC[C@@H]2CN(C)C)cc1 90700128 RVBCSPFINXDYQP-KRWDZBQOSA-N 366.596 3.625 0 40 FHAB CC(=O)N1CC[C@H](NCCc2ccccc2C)[C@H](Cc2ccccc2)C1 585284582 GCEXQQHKPQEWKL-PKTZIBPZSA-N 350.506 3.607 0 40 FHAB CC(C)[C@H](NC(=O)Nc1cccc(N2CCNC2=O)c1)c1ccccc1 47893463 STVVOCOGLSKFNG-SFHVURJKSA-N 352.438 3.735 0 40 FHAB CC(=O)Nc1cc(C(=O)OCc2cc(Cl)c3c(c2)OCO3)ccc1F 53108540 KNUPDFLWPLPITB-UHFFFAOYSA-N 365.744 3.523 0 40 FHAB c1cc(OCCN2CCOCC2)ccc1CN(CC1CCCCC1)C1CC1 1658461485 WMSRFQJUWOWFPB-UHFFFAOYSA-N 372.553 3.942 0 40 FHAB CC1CCC(NC(=O)[C@@H]2[C@@H]3[C@H]2CC[C@@]32CC(=O)c3ccccc3O2)CC1 12087269 WMFQZJOXVFTIGJ-IUASDRNVSA-N 353.462 3.742 0 40 FHAB CCOc1ccc(CN2CCC(c3noc(-c4ccccn4)n3)CC2)cc1 12275798 YDFAGTCIZFYTLU-UHFFFAOYSA-N 364.449 3.910 0 40 FHAB CC(C)Oc1ccc(C(=O)NCc2ccc(CN3CCCC3)cc2)cc1 15140057 DCOZPMUNXSUUFZ-UHFFFAOYSA-N 352.478 4.000 0 40 FHAB CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)NC4CCCCC4)cc1c32 17075562 MCBGSRQDUQNZLZ-UHFFFAOYSA-N 368.433 3.833 0 40 FHAB Cc1ccc(-c2nnc(CNC(=O)C3(c4cccc(F)c4)CC3)o2)s1 19217877 YXLWUOOQBXVFKE-UHFFFAOYSA-N 357.410 3.594 0 40 FHAB C[C@@H](CC(=O)O)CC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 630298282 DEQSRXUVRVQKBW-QMTHXVAHSA-N 372.234 3.753 0 40 FHAB CC(C)N(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C1CC1)C(C)C 7042293 NXQKLIQWBUDFFL-AWEZNQCLSA-N 373.522 3.857 0 40 FHAB COc1ccc(C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)c(OC)c1 7182685 QFAUEBKHEFKMHN-UHFFFAOYSA-N 368.385 3.784 0 40 FHAB Cc1nc(C)c(F)c(OCC2CCN(c3nc4ccccc4o3)CC2)n1 1888909672 BFVUHUCXWJZWPH-UHFFFAOYSA-N 356.401 3.669 0 40 FHAB COc1ccc([C@H](C)NC(=O)CCc2nnc(-c3ccccc3)o2)cc1F 32747637 HWUNHZLNRIZDTR-ZDUSSCGKSA-N 369.396 3.694 0 40 FHAB CCn1cc(Br)c(C(=O)Nc2ncc(Cl)cc2Cl)n1 27971296 WUKYVYYQLJHUFB-UHFFFAOYSA-N 364.030 3.620 0 40 FHAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 38834450 PWXWTFBNHKMZSS-LJQANCHMSA-N 366.461 3.714 0 40 FHAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccs2)n2ncnc2N1 4486983 AOONVIKDQNAUBM-HNNXBMFYSA-N 371.853 3.921 0 40 FHAB COC(=O)c1ccc([C@@H]2SCC(=O)N2c2nc3ccccc3s2)cc1 6721356 JADYWCQWNRDZCA-INIZCTEOSA-N 370.455 3.862 0 40 FHAB COc1cccc(C(N)=O)c1OCCCOc1ccc(C(C)(C)C)cc1 24107411 VLKDGYLMZFDIOQ-UHFFFAOYSA-N 357.450 3.940 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c2cccnc12 31093460 JOONVJJGKLRSGH-QGZVFWFLSA-N 359.429 3.530 0 40 FHAB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)Nc1ccccc1F 738167 KTHDJSMKQCMOSY-UHFFFAOYSA-N 362.404 3.713 0 40 FHAB O=C(NC1CCCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 918404 FWUPLTAZNRDTFG-FZMZJTMJSA-N 368.359 3.809 0 40 FHAB COc1ccc(-c2nc(CC(=O)NC3Cc4ccccc4C3)cs2)cc1 32093731 NUOBCXAFXWHGTL-UHFFFAOYSA-N 364.470 3.645 0 40 FHAB CCOC(=O)Oc1c(Cl)cc2oc(=O)sc2c1Br 3117747 BUAKBZQBLYANHM-UHFFFAOYSA-N 353.577 3.806 0 40 FHAB CCOc1ccccc1NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C 11466697 BNUNUGUBSZWIMF-UHFFFAOYSA-N 363.417 3.709 0 40 FHAB CCNC(=S)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 4132673 JXIPLOFMRHPMJW-UHFFFAOYSA-N 369.490 3.635 0 40 FHAB COc1ccccc1NC(=O)COc1ccc(-c2nc(C(C)C)no2)cc1 32578662 SCASQAFBQNPXSB-UHFFFAOYSA-N 367.405 3.886 0 40 FHAB CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccoc1C 4860868 IALYEJOGJWIFOL-UHFFFAOYSA-N 357.435 3.850 0 40 FHAB C[C@@H]1[C@@H](NC(=O)CSc2nnc(-c3cccs3)o2)CCC[C@H]1C 102297761 STACTNWNQXRPHF-WOPDTQHZSA-N 351.497 3.831 0 40 FHAB CCN(CC)CCOC(=O)[C@](O)(c1ccccc1)c1ccc(C)c(C)c1C 6382284 HUVRSIKOCHSJIY-QHCPKHFHSA-N 369.505 3.733 0 40 FHAB COc1ccc([C@H]2CCCN2CC(=O)Nc2cccc(F)c2)c(OC)c1 7739552 XOUMIOQZZYVLTQ-GOSISDBHSA-N 358.413 3.619 0 40 FHAB C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1ccc(C(F)(F)F)cc1 45899585 JOEAPNOQLHTKQZ-SNVBAGLBSA-N 364.323 3.527 0 40 FHAB Cc1cc(NC(=O)CCC(=O)c2ccccc2)ccc1N1CCCC1=O 11743627 PLRQFWRDPGRKMA-UHFFFAOYSA-N 350.418 3.723 0 40 FHAB CC1(C)CC(=O)C(C(C2CCCC2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 104383725 BIEQXMQOEVNJJM-UHFFFAOYSA-N 360.494 3.942 0 40 FHAB COc1ccc([C@@H]2Nc3nonc3N=C3CC(C)(C)CC(O)=C32)c(OC)c1 102752706 SHEDPSVVQRXREP-INIZCTEOSA-N 370.409 3.958 0 40 FHAB Cc1nn(C)c(C)c1CCC(=O)Nc1ccnn1Cc1ccccc1Cl 22134475 YMWJUUCYRWUSFS-UHFFFAOYSA-N 371.872 3.506 0 40 FHAB COc1cccc(-c2nn3c(Cc4ccc(F)cc4)nnc3s2)c1OC 632804 GDNOGPCTHXMNKR-UHFFFAOYSA-N 370.409 3.600 0 40 FHAB CCc1ccc(-c2noc(CCC(=O)N[C@H](C)c3cccnc3)n2)cc1 22693085 CALVJLLVBZCGAT-CQSZACIVSA-N 350.422 3.504 0 40 FHAB C[C@@H](Sc1nc2ccccc2[nH]1)c1nc(N)nc(Nc2ccccc2)n1 58450317 CVKVPVLOFMZVRW-LLVKDONJSA-N 363.450 3.927 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)CN1CCC[C@@H]1Cc1ccccc1 25358733 FMSDKKOEGFKTPK-DENIHFKCSA-N 350.506 3.831 0 40 FHAB Cc1nc(C)c2c(C)c(C(=O)NC[C@H](c3ccsc3)N(C)C)sc2n1 25332080 UHIJYTSGNOOYRA-CQSZACIVSA-N 374.535 3.711 0 40 FHAB CC(=O)Nc1ccc(CC(=O)OCc2ccccc2C(F)(F)F)cc1 25624332 IGZBNTAPTSMIMI-UHFFFAOYSA-N 351.324 3.950 0 40 FHAB CC(C)(C)OC(=O)N1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 26912362 OWRHAAJROCOVRG-UHFFFAOYSA-N 361.417 3.533 0 40 FHAB C[C@@H](C(=O)Nc1cccc(Cl)c1)N(C)Cc1nccn1CC(F)(F)F 57844610 XPQFOXYUOYXKRX-NSHDSACASA-N 374.794 3.558 0 40 FHAB C[C@@H](NC(=O)Nc1ccc2c(c1)OCO2)c1nc(-c2ccccc2)c[nH]1 57997182 KJLGQDKILGIUED-GFCCVEGCSA-N 350.378 3.688 0 40 FHAB Cc1ccc(C(=O)N[C@@H](NC(=N)C(C)C)C(Cl)(Cl)Cl)cc1 3109679 GLQNVUTUMDVGCV-CYBMUJFWSA-N 350.677 3.644 0 40 FHAB O=C(NCc1ccccc1CN1CCCC1)[C@H]1Cc2cc(Cl)ccc2O1 10220098 QJANQBNDJLFZFJ-HXUWFJFHSA-N 370.880 3.556 0 40 FHAB O=C1CCC(=O)N1c1ccc(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)cc1 58225991 SBCHVYRCUTWCAM-HXUWFJFHSA-N 374.440 3.632 0 40 FHAB O=C(Nc1ccncc1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 58203188 XKGDJXNADLPKHO-CQSZACIVSA-N 367.384 3.682 0 40 FHAB Cc1cc(N2CCCC2)ccc1NC(=O)CN(C[C@H](C)O)C1CCCCC1 58267592 MYQIFHUZNZRRRE-SFHVURJKSA-N 373.541 3.549 0 40 FHAB CSCC[C@H](NC(=O)COc1cccc(F)c1)c1nc2ccccc2[nH]1 12546436 XIWZSUWUGUPXQP-KRWDZBQOSA-N 373.453 3.691 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 12528845 ULVDHWUSWMDIFQ-YIONKMFJSA-N 353.418 3.598 0 40 FHAB COC(=O)c1cc(NC(=O)CSc2ccc(OC)cc2)ccc1Cl 20461402 GNNXHEKMMTWZSL-UHFFFAOYSA-N 365.838 3.866 0 40 FHAB O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)CC12CC3CC(CC(C3)C1)C2 58426165 UBCAMNYLYJTALQ-OCABNYQQSA-N 373.522 3.679 0 40 FHAB O=C(Nc1nc2cc(F)c(F)cc2s1)c1ccc(N2CCCC2=O)cc1 58779610 OZPGYIKRXCWXKX-UHFFFAOYSA-N 373.384 3.954 0 40 FHAB COC(=O)c1c(C)cccc1NC(=O)Cc1coc2cc(OC)ccc12 11058526 QCLZYWSBIOPGFZ-UHFFFAOYSA-N 353.374 3.718 0 40 FHAB O=C(c1ccccc1)c1c2ncn(-c3ccccc3)c(=O)c2c2ccccn12 28616651 HMXASKDOBVAENI-UHFFFAOYSA-N 365.392 3.869 0 40 FHAB Cc1ccc(-n2nnnc2SCC(=O)Nc2c(C)cccc2C)c(C)c1 3367970 FBILSUOTOHQZCZ-UHFFFAOYSA-N 367.478 3.627 0 40 FHAB Nn1c(SCCOc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 3338270 PSKOPPQZNXTBBS-UHFFFAOYSA-N 364.833 3.623 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)c2cnn(-c3ccccc3)c2)c1 12731332 MFOGALWPSKUIAH-UHFFFAOYSA-N 351.406 3.922 0 40 FHAB O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)c1ccc(OC(F)F)cc1 12782353 ZBVNWXSAYAVWFW-UHFFFAOYSA-N 371.347 3.529 0 40 FHAB CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(C(N)=O)cc2)cc1 3559820 SYVCCPMLTOTHFQ-UHFFFAOYSA-N 354.450 3.881 0 40 FHAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1 5177901 QMIUQGOMYXKHAE-UHFFFAOYSA-N 372.277 3.760 0 40 FHAB CCc1noc(C)c1C(=O)OCC(=O)c1ccc(NC(=O)CC(C)C)cc1 5391350 NKUJPSQIACGDDI-UHFFFAOYSA-N 372.421 3.570 0 40 FHAB C[C@@H]1CCC[C@@H](NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)[C@@H]1C 6435595 HJHJWLPOYXGBDT-GPMSIDNRSA-N 357.498 3.871 0 40 FHAB COc1cccc(-c2nc(CCNC(=O)COc3ccccc3)cs2)c1 5484455 XHLQXCIVNJRGEI-UHFFFAOYSA-N 368.458 3.556 0 40 FHAB O=C(NC1CCCCCC1)[C@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 8992197 WULPHGYZUUBOGI-SFHVURJKSA-N 367.493 3.859 0 40 FHAB CN(C)[C@H](CNC(=O)Cc1ccc(Cl)c(Cl)c1)Cc1ccccc1 27582796 NJZRKWPVVMMHDK-INIZCTEOSA-N 365.304 3.825 0 40 FHAB O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2CN(Cc3ccsc3)C[C@H]21 306138794 SHSLKPLPLQUPTJ-VQIMIIECSA-N 371.483 3.763 0 40 FHAB Cc1cc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c2c(C)nn(C)c2n1 14814497 FMYHBYLTPOLYTR-HIGJEIRPSA-N 366.509 3.920 0 40 FHAB O=C(CCCn1sc2ccccc2c1=O)NCCCc1ccccc1 6800155 IBXDIZNAGFBJKO-UHFFFAOYSA-N 354.475 3.592 0 40 FHAB CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(C)c(C)c2)CC1 9096378 SFQCPHYFZMVVNF-UHFFFAOYSA-N 365.477 3.614 0 40 FHAB O=C(COc1cccc(N2CCCC2=O)c1)Nc1ccc(Cl)cc1F 7063908 RXJFYWXNZRKJKI-UHFFFAOYSA-N 362.788 3.623 0 40 FHAB C[C@H](CNCc1cc(Cl)ccc1OCc1cccnc1)Cn1ccnc1 67500445 SNTAFZVJIOKIIC-MRXNPFEDSA-N 370.884 3.936 0 40 FHAB Cc1c(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)oc2ccccc12 7450035 GGFMHUZUIACUDP-UHFFFAOYSA-N 368.477 3.996 0 40 FHAB C[C@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1cccc(Cl)c1 7597597 GSBJKBAPAPITJM-JTQLQIEISA-N 373.808 3.827 0 40 FHAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cn2ccccc2n1 7688795 ZNGIEUNLTHJTJU-UHFFFAOYSA-N 356.357 3.988 0 40 FHAB CC1(C)CC(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC(C)(C)N1 7616272 YHAVHOWKXPUEAV-UHFFFAOYSA-N 365.326 3.581 0 40 FHAB COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccs2)cc1 7701958 WPAODYXOPTURKH-SFHVURJKSA-N 359.472 3.825 0 40 FHAB COc1cc(C)c(NC(=O)/C=C/c2c(C)nc3sc(C)cn23)cc1OC 24714155 GPTCOQJUIJYHNA-VOTSOKGWSA-N 371.462 3.990 0 40 FHAB COc1ccc(CN(C(=O)c2ccc(N3CCCC3=O)cc2)C2CC2)cc1 8164361 YDJHYQSCUPXHRU-UHFFFAOYSA-N 364.445 3.627 0 40 FHAB C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 8230653 BDUXLKGDSCNPLB-HOTGVXAUSA-N 362.429 3.942 0 40 FHAB Cc1ccc(NC(=O)CN(C)C(=O)c2cc3c(s2)CC[C@H](C)C3)cc1 8246189 MCYWAKMXANIKSW-AWEZNQCLSA-N 356.491 3.892 0 40 FHAB COc1cccc(-c2ccnc3nc(Cc4cc(F)cc(F)c4)nn23)c1 96345219 LFKZYNFTESVKRR-UHFFFAOYSA-N 352.344 3.669 0 40 FHAB Cc1nnc(SCC(=O)c2ccc(Br)cc2)n1CC(C)C 9699270 SUQLHPWWAASVDR-UHFFFAOYSA-N 368.300 3.980 0 40 FHAB CCCc1noc2nc(C3CC3)cc(C(=O)N[C@@H](CC)[C@@H]3CCCO3)c12 89960430 CUMUKVSQQAMQGE-YOEHRIQHSA-N 357.454 3.740 0 40 FHAB CC(C)n1ncc(C(=O)NCc2cc3ccccc3[nH]2)c1C(F)(F)F 84632969 BHFORFLGCZYHID-UHFFFAOYSA-N 350.344 3.894 0 40 FHAB Cc1ccc2nc([C@H]3CCCN(C(=O)c4ccncc4Cl)C3)[nH]c2c1 72910445 FPDSMMQEGGNJOM-ZDUSSCGKSA-N 354.841 3.940 0 40 FHAB O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCC[C@@H]1c1ncc[nH]1 95464524 UWRJAGRQRSNDHR-LJQANCHMSA-N 357.417 3.726 0 40 FHAB O=C(NC1CCN(c2ccccc2)CC1)N1CCC(C(F)(F)F)CC1 73818913 FANFESSICRZSSI-UHFFFAOYSA-N 355.404 3.639 0 40 FHAB Cc1noc(-c2ccccc2)c1C(=O)OCc1ccc(-n2ccnc2)nc1 95941172 YKZXURCZPQTPBH-UHFFFAOYSA-N 360.373 3.588 0 40 FHAB CC(=O)Nc1cccc2c1CCN(C(=O)c1[nH]c3ccccc3c1Cl)C2 89265601 IJKKILWRXRIFER-UHFFFAOYSA-N 367.836 3.978 0 40 FHAB CCCCCc1c(C)nc(Nc2nc(C)c3cccc(OC)c3n2)[nH]c1=O 9936614 CSXOUVRUTXDNGH-UHFFFAOYSA-N 367.453 3.815 0 40 FHAB Cc1ccccc1CNC(=O)Cc1csc(NC(=O)c2cccs2)n1 9954680 AFMFUECUKOSVEZ-UHFFFAOYSA-N 371.487 3.624 0 40 FHAB Cc1ccc(S(=O)(=O)NCCSCc2cccc(Cl)c2)cc1 408842088 NXFWUMBOEJBSJX-UHFFFAOYSA-N 355.912 3.860 0 40 FHAB CN(C)CCNC(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 500767439 BBLYJBKCFSITFB-UHFFFAOYSA-N 363.408 3.562 0 40 FHAB CCCn1ccc(NC(=O)c2cc(C3CC3)nc3onc(C4CC4)c23)n1 36617468 IVEKRPKZNORRJO-UHFFFAOYSA-N 351.410 3.836 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](C)COc1ccc(OC)cc1 219574202 FBGMIAGKHZYNQK-RDTXWAMCSA-N 361.413 3.575 0 40 FHAB COC(=O)c1ccccc1-c1nc(-c2ccc(Br)cc2)no1 78401099 KHONVLPODUKZQQ-UHFFFAOYSA-N 359.179 3.953 0 40 FHAB CC[C@H](Oc1ccccc1Cl)C(=O)N1CCN(Cc2ccccc2)CC1 30755431 IWDACEUFRBBIGV-IBGZPJMESA-N 372.896 3.842 0 40 FHAB Cc1cc(C)cc(-n2cc(C(=O)NCc3ccc(C(F)(F)F)cc3)nn2)c1 71765012 DMGUPJXSSDZFNY-UHFFFAOYSA-N 374.366 3.833 0 40 FHAB COc1cc(OC)cc([C@H](C(=O)O)N2CC=C(c3cccc(C)c3)CC2)c1 565310442 WZUCARQUTBHTMA-OAQYLSRUSA-N 367.445 3.927 0 40 FHAB COc1ccc(CCCNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1OC 219548246 LIFGDVZGCANBEA-QGZVFWFLSA-N 371.477 3.837 0 40 FHAB CN(C)C[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc(F)cc1 561621807 RBAAWISLQVSNTN-MRXNPFEDSA-N 365.246 3.621 0 40 FHAB COc1ccc(CNC(=O)c2ccc(Cl)cc2Cl)c(OC)c1OC 43744003 JHBMHSWLINBAGU-UHFFFAOYSA-N 370.232 3.949 0 40 FHAB COc1cccc(OCCNC(=O)CSCc2cccc(Cl)c2)c1 43843339 HCQAYNINYOXBPA-UHFFFAOYSA-N 365.882 3.777 0 40 FHAB Cc1ccccc1[C@@H](NS(=O)(=O)c1c(C)noc1C)c1ccccc1 223099415 JDPMWXOQONMXFE-SFHVURJKSA-N 356.447 3.668 0 40 FHAB O=C(O)[C@H](c1cc2ccccc2[nH]1)N1CCN(c2ccc(Cl)cc2)CC1 223727792 LMTKXZWWIZVFQT-IBGZPJMESA-N 369.852 3.769 0 40 FHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 222778400 RBTLEQWPAAASKI-ROUUACIJSA-N 352.463 3.517 0 40 FHAB COCCOc1ncc(NC(=O)C2(c3ccccc3)CCCC2)cc1C 225859544 GLUYAXPCXJDPOO-UHFFFAOYSA-N 354.450 3.866 0 40 FHAB COc1cccc(CN2CC[C@H]3COC(=O)N3c3cc(C)ccc3C2)c1 225489794 DEGQOJLMZYBVIM-SFHVURJKSA-N 352.434 3.735 0 40 FHAB biogenic,in-vitro C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CC[C@H](c5nccn5C)C4)cc3c2C1 328780931 MRSMQLAPZWGEIB-ZBFHGGJFSA-N 362.477 3.656 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2F)c(Br)c1 40432350 LAHNOIMZWZVIRH-LLVKDONJSA-N 372.259 3.936 0 40 FHAB CC1(C)CC(=O)Nc2ccc(C(=O)NCCCc3ccc(F)cc3)cc21 223283927 LNFSNWKCHMQGDQ-UHFFFAOYSA-N 354.425 3.808 0 40 FHAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN(C)C)cc1 225699427 DSZWFNUMERBJQO-HXUWFJFHSA-N 350.503 3.941 0 40 FHAB COc1cccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1OC 222575345 WSQPAEVDIUXOLO-JCURWCKSSA-N 355.463 3.688 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1F 224180891 GPQTWNTUQVXNGB-FQEVSTJZSA-N 370.468 3.620 0 40 FHAB O=C(NC[C@H]1COc2ccccc2O1)/C(=C/c1ccco1)c1ccccc1 225238048 FNZJLUNVNDTNPS-DYGKOUCMSA-N 361.397 3.776 0 40 FHAB Cc1ccc(C(=O)NC2CCN(c3ncnc4scc(C)c34)CC2)s1 576007992 IFSFNKFIZXJCSZ-UHFFFAOYSA-N 372.519 3.768 0 40 FHAB Cc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)cc1 98212576 NGCAXEFTEUIBSU-UHFFFAOYSA-N 360.461 3.784 0 40 FHAB O=C(O)c1ccc([C@@H]2SCC(O)=Nc3ncn(-c4ccccc4)c32)cc1 95474381 BXNXFYRTAQXOCS-KRWDZBQOSA-N 365.414 3.995 0 40 FHAB CC[C@@H]1CCCCN1c1nn(-c2ccccc2C(F)(F)F)nc1C(=O)O 256046769 HZDSJOVSJLIHBR-LLVKDONJSA-N 368.359 3.753 0 40 FHAB COc1ccc(C2(C(=O)N3CCC[C@H]3CCc3ccncc3)CC2)cc1 257225414 FGCODIUUYKSUSI-IBGZPJMESA-N 350.462 3.746 0 40 FHAB COCc1ccc(NC(=O)NCc2cccnc2C)cc1C(F)(F)F 626610754 HARGVXYLAUJDBV-UHFFFAOYSA-N 353.344 3.877 0 40 FHAB COc1nc(C(=O)NC2CCC3(CCOCC3)CC2)cc2ccccc12 1116221563 OMFFUUADAWSLNI-UHFFFAOYSA-N 354.450 3.713 0 40 FHAB CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2ncc(-c3cccc(Cl)c3)o2)C1 643859685 NPRPXXREQLDUBD-CABCVRRESA-N 358.829 3.680 0 40 FHAB Cn1c2c(ccc1=O)[C@@H](N[C@H]1CCCc3nn(-c4ccccc4)cc31)CCC2 652334361 JURNUMWANUDBCW-PMACEKPBSA-N 374.488 3.616 0 40 FHAB CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1C(=O)Nc1ccccc1C(C)(F)F 653564445 GQVFCLKFAKCCJR-RRQGHBQHSA-N 368.424 3.846 0 40 FHAB Cc1noc(C2CCN(C(=O)Nc3cn(C)nc3C3CCCCC3)CC2)n1 297393269 MBHJFUWJOYIEBF-UHFFFAOYSA-N 372.473 3.571 0 40 FHAB CC(=O)N(C)[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3F)cc2)C1 97413353 BYRNVUMOJYPJKN-INIZCTEOSA-N 371.412 3.703 0 40 FHAB CC(C)(C)CN(Cc1ccccc1)C(=O)c1cccc(N2CCNC2=O)c1 1321573985 QEXHUDWJIKRUBI-UHFFFAOYSA-N 365.477 3.905 0 40 FHAB Cc1ccc2ncc(CN3CCC4(CC3)CC(NC(=O)OC(C)C)C4)n2c1 585102715 BNUKNIXWJWBEBW-UHFFFAOYSA-N 370.497 3.522 0 40 FHAB COc1ccccc1C1(CNC(=O)N2CCC[C@H]2c2cc(C)no2)CCC1 680615785 HOSVASMSLRLYLW-KRWDZBQOSA-N 369.465 3.960 0 40 FHAB C[C@@H]1c2[nH]c3ccccc3c2CCN1S(=O)(=O)N(C)C1CCCCC1 56123295 YUSIIHHNPRAVLA-CQSZACIVSA-N 361.511 3.596 0 40 FHAB CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]21)[C@H]1CCCN(C(=O)CCC2CCC2)C1 1615610934 HFVWPRLPFZUNMR-LWYYNNOASA-N 360.542 3.842 0 40 FHAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)s1 1012818 WNNLQJGEAAZHGZ-NTEUORMPSA-N 358.444 3.732 0 40 FHAB COc1ccc(C2=Nn3c(nnc3-c3cccc(C)c3)SC2)cc1OC 5047295 JJFWIQAALZZRRF-UHFFFAOYSA-N 366.446 3.629 0 40 FHAB COc1ccc([C@H]2c3cc4c(cc3O[C@@](C)(OC)[C@@H]2C)OCO4)c(OC)c1 5275481 OJLSPKZVMHLCBB-YULWEGQASA-N 372.417 3.956 0 40 FHAB Nc1cc(-c2cccs2)nn(Cc2c(Cl)cccc2Cl)c1=O 12146711 WXEOGRFAHJOTMW-UHFFFAOYSA-N 352.246 3.909 0 40 FHAB Cn1ccnc1-c1nc(NCc2ccccn2)ncc1-c1ccc(F)cc1 19291722 QOJGPFQMVHRLHW-UHFFFAOYSA-N 360.396 3.690 0 40 FHAB CCCC(=O)N[C@H](Cc1cc(NC)nc(C2CC2)n1)c1cccc(C)c1 19501717 SQPRBTHBIRXNFG-GOSISDBHSA-N 352.482 3.904 0 40 FHAB COc1cc2sc(NC(=O)c3ccn(C(F)F)n3)nc2cc1Cl 19550673 BESAPGPXONPGTQ-UHFFFAOYSA-N 358.757 3.802 0 40 FHAB CCN(C(C)=O)[C@@H]1CN(C(=O)Cc2ccc(F)cc2)C2(CCCCC2)C1 19695921 VEIREWQSQMOUNY-IBGZPJMESA-N 360.473 3.540 0 40 FHAB CCc1ccc(/C=C/C(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1 8302676 PBSURIDYQUIXNU-BUHFOSPRSA-N 350.462 3.976 0 40 FHAB Cc1ccc2nc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)sc2c1 4583396 CILIYOBWYVHEJY-CSKARUKUSA-N 363.486 3.967 0 40 FHAB C[C@@](O)(CNC(=O)C1(c2ccc(Cl)cc2)CCCC1)Cc1ccco1 206616815 GPCXYBRGELXTNN-IBGZPJMESA-N 361.869 3.855 0 40 FHAB Fc1cccc(CN2CC[C@@H](Oc3ccncc3Br)C2)c1 1888860539 WOAGYZSRHXSNBZ-CQSZACIVSA-N 351.219 3.637 0 40 FHAB COc1cccc2sc(N3CCC(c4nnc(C5CC5)o4)CC3)nc12 1888913125 SVLVJPGWEOJGHO-UHFFFAOYSA-N 356.451 3.949 0 40 FHAB COc1cccc(C(=O)N2CCC(COc3ccncc3Cl)CC2)c1 1889149491 CJLIZBXCFCBZCT-UHFFFAOYSA-N 360.841 3.675 0 40 FHAB O=C1CO[C@@]2(CCCN(C3CCCCC3)CC2)CN1c1cccc(F)c1 2037840195 IKRSZQPIFLMTIP-OAQYLSRUSA-N 360.473 3.746 0 40 FHAB COc1cccc(C(=O)N(CN2CCCC2=O)c2cccc(Cl)c2)c1 4137945 AXUMMKSPFJQFET-UHFFFAOYSA-N 358.825 3.575 0 40 FHAB Cc1cc2nc(NC(=O)c3ccccc3S(C)(=O)=O)sc2cc1C 5152433 YDXIWRDTEMYZDQ-UHFFFAOYSA-N 360.460 3.569 0 40 FHAB O=C(Cc1c(F)cccc1Cl)NCc1cccnc1-c1cccnc1 225643108 MJEQENGHKHVKLP-UHFFFAOYSA-N 355.800 3.795 0 40 FHAB O=C(c1ccc(Br)o1)N1CCN=C1SCc1ccccc1 4119841 UYZMKLZOHMELQR-UHFFFAOYSA-N 365.252 3.787 0 40 FHAB CC(C)c1ccc(OC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1 20806431 WCIVUARKHXXQAB-OAQYLSRUSA-N 372.484 3.511 0 40 FHAB O=C(c1ccc(F)c(F)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 25126764 YRONAODUQVZUPP-UHFFFAOYSA-N 370.321 3.946 0 40 FHAB COC(=O)c1ccc(F)c(NCC(=O)N[C@H](C)c2cc3ccccc3o2)c1 40057120 SFWPMGMBGPLHTP-GFCCVEGCSA-N 370.380 3.648 0 40 FHAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cc(F)ccc1-c1ccccc1 40140780 IGDXESSMWOTQOF-UHFFFAOYSA-N 359.364 3.721 0 40 FHAB CCOc1ccccc1NC(=O)[C@H](C)Nc1cccc(N2CCCC2=O)c1 28912209 IYUCXFRZGVXFEJ-HNNXBMFYSA-N 367.449 3.651 0 40 FHAB CN(C)[C@@H](CNC(=O)c1ccccc1OC(F)F)c1ccccc1Cl 29050518 FUDUHTWPEQEONW-HNNXBMFYSA-N 368.811 3.974 0 40 FHAB C[C@@H]1Oc2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2NC1=O 8014219 MQRRWAPFYVEPHU-JTQLQIEISA-N 364.323 3.606 0 40 FHAB O=C1Nc2ccccc2[C@]12CC(O)=Nc1c2cnn1-c1ccc(Cl)cc1 20715219 XMZXMHGXHRHTQM-IBGZPJMESA-N 364.792 3.756 0 40 FHAB COc1cc(CNC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC 8361441 YSHAYIQWWYNXIG-UHFFFAOYSA-N 357.450 3.940 0 40 FHAB COc1cc(CNC[C@@H](C)O)cc(Cl)c1OCc1ccc(F)cc1 8535054 LYKCEZZGBMSNGK-GFCCVEGCSA-N 353.821 3.537 0 40 FHAB C[C@H](NC(=O)[C@H]1CCCN1C(=O)C1CC1)c1ccc(-c2ccccc2)cc1 32827251 QLOUMEIQTBRCNK-HRAATJIYSA-N 362.473 3.932 0 40 FHAB COc1cc(OC)cc(C(=O)NCCCc2ccc(OC(C)C)cc2)c1 10542362 ATKAQDJJAAXQBJ-UHFFFAOYSA-N 357.450 3.854 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)on2)cc1 11915049 FTGCMCRELJMEHG-UHFFFAOYSA-N 366.373 3.779 0 40 FHAB Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)c(C)c3)[C@H](C)C2)cc1C 670310 FQBOYPKPJMYBGZ-LJQANCHMSA-N 364.489 3.907 0 40 FHAB COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C)cc1 2703552 HEQXHZGEAVWXBH-IBGZPJMESA-N 363.413 3.683 0 40 FHAB CCO[C@H]1C[C@@H](NC(=O)Cc2cc(C(C)=O)ccc2OC)C12CCCCC2 76042197 FYAYWUODQCRQDF-UXHICEINSA-N 373.493 3.684 0 40 FHAB CCCCn1c(O)c(C(=O)Nc2ccccc2OC)c(=O)c2ccccc21 2897854 SHFUWCMQQYYSAB-UHFFFAOYSA-N 366.417 3.768 0 40 FHAB CCOC(=O)[C@H](C)Oc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1 941356 SBWFJSUMLJKJJL-ZDUSSCGKSA-N 368.385 3.799 0 40 FHAB biogenic COc1ccccc1[C@H](CNC(=O)c1ccc(OCC(C)C)cc1)N(C)C 23713833 PDGGMDSXDPCJFT-FQEVSTJZSA-N 370.493 3.763 0 40 FHAB biogenic CCc1ccc(Cl)c(CC)c1NC(=O)c1ccnc(-n2cncn2)c1 54673227 LVFXULPEAGMPIR-UHFFFAOYSA-N 355.829 3.693 0 40 FHAB COc1cc(Cl)c(S(=O)(=O)Nc2ccccc2F)cc1Cl 105589454 BQLXYVAMIOTDPZ-UHFFFAOYSA-N 350.198 3.942 0 40 FHAB Cc1ccccc1NC(=O)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 100744241 ZGXGDJRXRSAOTE-QZTJIDSGSA-N 362.429 3.927 0 40 FHAB O=C(OCc1csc(-c2ccc(F)cc2)n1)c1ccccc1NCCO 12537138 WTHYREGBVPEEFJ-UHFFFAOYSA-N 372.421 3.710 0 40 FHAB COc1ccc(SCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 20049132 RHRZIMOFIRBFAW-UHFFFAOYSA-N 370.474 3.662 0 40 FHAB CCn1cc(Br)c(C(=O)N[C@@H](C)c2ccc(C)cc2C)n1 28237120 UXOOTWVXANLZMA-LBPRGKRZSA-N 350.260 3.773 0 40 FHAB CC(C)C(=O)Nc1ccc(N[C@H](C(=O)NC2CC2)c2ccccc2)cc1 12587187 KCVRQKALVGLNDX-IBGZPJMESA-N 351.450 3.713 0 40 FHAB Cc1nn(Cc2cccc(C(=O)N3CCCC3)c2)c(C)c1Br 28236339 AYVLJNXNDMWAEZ-UHFFFAOYSA-N 362.271 3.547 0 40 FHAB CCOc1cc(C(=O)NCc2ccccc2)ccc1OCc1ccncc1 27605570 MBFZLCZRBRKRCS-UHFFFAOYSA-N 362.429 3.989 0 40 FHAB COc1ccccc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 10260884 ONHNWSIHQBHJIR-QGZVFWFLSA-N 370.840 3.993 0 40 FHAB CCCNC(=O)c1cccc(CNCc2c[nH]nc2-c2ccc(F)cc2)c1 47794424 FEZPFRPIXLRDDK-UHFFFAOYSA-N 366.440 3.645 0 40 FHAB CCn1ncc2ccc(NC(=O)c3cn(CCOC)c4ccccc34)cc21 58378131 PRBLZALHMAOTNY-UHFFFAOYSA-N 362.433 3.910 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc(F)c(F)c1 10492471 GBBPIMWIVIVJMB-UHFFFAOYSA-N 355.344 3.589 0 40 FHAB Cc1ccc(Nc2nnc(SCC(=O)NCC(C)C)s2)cc1C 3249915 DAUIINQFGWJOJQ-UHFFFAOYSA-N 350.513 3.763 0 40 FHAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1cc(Br)ccc1O 3249987 HYBOGLYRQITOCL-UHFFFAOYSA-N 374.190 3.676 0 40 FHAB COc1cccc(NC(=O)[C@H](Sc2nnc(N)s2)c2ccccc2)c1 3336937 NQQICRACKSSFSW-CQSZACIVSA-N 372.475 3.601 0 40 FHAB CSc1ncccc1C(=O)Nc1cccc(I)c1 3354177 ZAXHEMJVZBMGIR-UHFFFAOYSA-N 370.215 3.660 0 40 FHAB Cn1c(SCC(=O)NCc2cccs2)nc2cc(Cl)ccc21 48354881 WDGBEEJTFDWCMU-UHFFFAOYSA-N 351.884 3.697 0 40 FHAB CCN(CC)c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)OC)c2)cn1 62582200 DPQZPBBAIYROEA-UHFFFAOYSA-N 361.829 3.620 0 40 FHAB C[C@@H](NC(=O)/C=C/c1ccc2c(c1)CCO2)c1ccc(-n2ccnc2)cc1 23074771 YDJITBWQPRSBET-UOWSJYKBSA-N 359.429 3.698 0 40 FHAB COCCSCc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 12948958 OAWQDTIIQSZOCN-UHFFFAOYSA-N 350.440 3.670 0 40 FHAB O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1ccc(F)cc1F 3513380 NHIIRHVYQDLBOF-UHFFFAOYSA-N 356.324 3.917 0 40 FHAB COc1ccc(C)cc1CN(C)C(=O)CCc1c(C)nc(SC)nc1C 8348346 JSEVUPPRJCFNCP-UHFFFAOYSA-N 373.522 3.724 0 40 FHAB CN1CCC(NC(=S)N[C@@H](c2ccc(F)cc2)c2cccs2)CC1 63145207 DRVQWVXPLLRKNP-KRWDZBQOSA-N 363.527 3.535 0 40 FHAB O=C(CC1CC1)N1CCC2(CC1)Cc1ncc(-c3cccc(F)c3)n1C2 306128709 HIVNUFRNAJTGIG-UHFFFAOYSA-N 353.441 3.654 0 40 FHAB COc1cc(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)ccc1O 408846039 QJKIJYYJSSQORU-MDWZMJQESA-N 374.190 3.508 0 40 FHAB CCCC[C@@H]1[C@H]2C(=O)N(c3cccc(C)c3)C(=O)[C@H]2ON1c1ccccc1 18176492 UKOUKZBOOUCPFU-AQNXPRMDSA-N 364.445 3.864 0 40 FHAB CC(C)CCNC(=O)CSc1nccn2nc(-c3ccccc3)cc12 17113104 FJHMVDRRKCTYJZ-UHFFFAOYSA-N 354.479 3.651 0 40 FHAB COc1cc2ccccc2cc1C(=O)OCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 6268068 ZSBQEEZIFRCJQM-QMTMVMCOSA-N 369.461 3.946 0 40 FHAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnc2sccn2c1=O 6496029 PLNRKAOETLIEPT-UHFFFAOYSA-N 363.398 3.801 0 40 FHAB COc1ccc([C@@H](NCC(=O)N2CCCCCC2)c2ccccc2)cc1 14199762 CKODHZHGHBWODC-QFIPXVFZSA-N 352.478 3.777 0 40 FHAB Cc1ccc(SCC(=O)Nn2c(-c3ccco3)n[nH]c2=S)c(C)c1 14166603 PQWYGQJLWALOSJ-UHFFFAOYSA-N 360.464 3.680 0 40 FHAB Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3nc4ccccc4s3)CC2=O)c1 4571985 AMMCTCGWEVAMJF-AWEZNQCLSA-N 365.458 3.905 0 40 FHAB CCOc1ccc2oc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)c(C)c2c1 6609824 IOWIGYJIACFGJT-UHFFFAOYSA-N 373.430 3.796 0 40 FHAB COc1ccc(CCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1 4761260 DIHBTWAKACOIJY-UHFFFAOYSA-N 352.434 3.503 0 40 FHAB Cc1ccc(OCC(=O)Nc2ccc(CSc3nc(C)n[nH]3)cc2)cc1 20367959 WCTTXSLYGQQWEB-UHFFFAOYSA-N 368.462 3.731 0 40 FHAB COc1cc(Cl)c(C)cc1N[C@@H](C)C(=O)NC(=O)NC1CCCCC1 7091885 QEHWWQXKKIKMAQ-LBPRGKRZSA-N 367.877 3.616 0 40 FHAB C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)c1ccc(-n2ccnc2)cc1 7050200 NLSOMYDTHYHKGA-CYBMUJFWSA-N 361.854 3.565 0 40 FHAB CC(C)CN(CC(C)C)C(=O)c1sccc1NC(=O)c1cnccn1 67335723 IYKAFOIENQFFSZ-UHFFFAOYSA-N 360.483 3.545 0 40 FHAB CCN(CC)C(=O)[C@@H](Sc1nnc(-c2ccco2)n1C)c1ccccc1 7179841 SSBLANVIIPKBLI-INIZCTEOSA-N 370.478 3.777 0 40 FHAB COc1ccc(CNC(=O)c2ccc(OCc3csc(C)n3)cc2)cc1 8855887 YTAZOUJMPZSSRB-UHFFFAOYSA-N 368.458 3.969 0 40 FHAB C[C@@H]1C[C@@H](C)CN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 8944532 KTFAQCRYKCNWHQ-HUUCEWRRSA-N 362.901 3.697 0 40 FHAB CCN(CC)C(=O)c1ccc(NC(=O)CC2(C(=O)O)CCCCC2)cc1 8943903 FBVRUEDUWLWNTG-UHFFFAOYSA-N 360.454 3.532 0 40 FHAB CCc1ccc(-c2n[nH]c(SCC(=O)NCCc3cccs3)n2)cc1 7833637 QVBODJVCJXVRFX-UHFFFAOYSA-N 372.519 3.547 0 40 FHAB CCC(=O)c1ccc(OCC(=O)N(CC(F)(F)F)[C@H](C)C2CC2)cc1 7984620 YLZDIOKCOJOZCE-GFCCVEGCSA-N 357.372 3.848 0 40 FHAB O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1ccc2nccnc2c1 9267091 KXHTVCRVMONGMY-UHFFFAOYSA-N 372.380 3.582 0 40 FHAB C[C@H](c1ccccc1F)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 76744287 SJMRTGSSLADHCR-CQSZACIVSA-N 370.424 3.966 0 40 FHAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cccs2)c1 9478905 PXKIUXHPASGFNT-UHFFFAOYSA-N 372.471 3.826 0 40 FHAB CC(C)CC(=O)N[C@@H](NCCc1ccccc1)C(Cl)(Cl)Cl 19800750 MAAIDMONMIKNQH-CQSZACIVSA-N 351.705 3.677 0 40 FHAB O=C(CN1CCC[C@H]1Cc1ccccc1Cl)N1CCc2ccccc2C1 60038509 CLTBQUDMLRFHCD-FQEVSTJZSA-N 368.908 3.932 0 40 FHAB COc1cccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)c1 408624901 DIGFWAQEPYDJPA-UHFFFAOYSA-N 371.245 3.834 0 40 FHAB CCOc1ncc(C(=O)N[C@@H]2C[C@H](OCC)C23CCCC3)cc1Cl 72303467 VMBOHZZDWXVSEU-CABCVRRESA-N 352.862 3.601 0 40 FHAB O=C(O)c1ccc([C@@H]2SCC(O)=Nc3c2c(O)nn3C2CCCC2)cc1 79474963 FBCSWRXHESYFQX-HNNXBMFYSA-N 373.434 3.826 0 40 FHAB C[C@H]1Cc2ccc(Br)cc2[C@H]1NCCSCC(C)(C)O 95451021 FTMJKCAOUVXJHY-NHYWBVRUSA-N 358.345 3.776 0 40 FHAB CC(C)(C)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2C1=O 67192368 DBJTWRKLVMEXKT-UHFFFAOYSA-N 364.445 3.500 0 40 FHAB Cc1ccc2cccc(OCc3nc(-c4ccc5c(c4)OCO5)no3)c2n1 75107684 WJCTWDNAOKPDCT-UHFFFAOYSA-N 361.357 3.901 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 408709122 XUSXVRJFSITMIC-XJKCOSOUSA-N 368.399 3.753 0 40 FHAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccc(Br)cc1 408708248 WJUZDNAMGVRNFS-GFCCVEGCSA-N 355.276 3.720 0 40 FHAB CC1CCC(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)CC1 408708443 ZWMFZHANPXSTOL-UHFFFAOYSA-N 364.489 3.630 0 40 FHAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(C)CC(=O)Nc2cccc(F)c2)o1 32836618 GXXNPYFLEBYCFA-CEIRLDKZSA-N 356.397 3.652 0 40 FHAB COC(=O)[C@H](O)c1c(C)nc2ccccc2c1-c1ccc2c(c1)CCCO2 504807852 VZLATPHJUHVXCY-OAQYLSRUSA-N 363.413 3.742 0 40 FHAB COC(=O)c1sccc1NC(=O)N1CCC[C@H]1c1ccc(OC)cc1 35476511 BSPUNCOBOPQGGC-HNNXBMFYSA-N 360.435 3.912 0 40 FHAB CC(=O)OC[C@@]12CO[C@H](c3ccc4c(c3)OCO4)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 5529066 OTAZKNLOTKUEQR-RZOVJBFXSA-N 358.434 3.884 0 40 FHAB biogenic CCOc1ccccc1NC(=O)COc1cccc(-c2nc(CC)no2)c1 33012486 LNZRKHLZQQNTFX-UHFFFAOYSA-N 367.405 3.715 0 40 FHAB O=C(CCSCc1ccccc1)NCc1ccccc1-n1ccnc1 30856068 GBIOWGGEJFVPFB-UHFFFAOYSA-N 351.475 3.812 0 40 FHAB CCn1cc(-c2cncn2CC2(c3cccc(C)c3)CCOCC2)cn1 36752016 YPURTADXAJRXFC-UHFFFAOYSA-N 350.466 3.823 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)CCSCc2ccccc2)cc1 218994979 CRCULFPIGQQACO-MRXNPFEDSA-N 359.491 3.902 0 40 FHAB COC(C)(C)C(=O)N1CCC[C@H]1c1cc(Nc2nccs2)cc(C)n1 72372730 ZCEIXZDWLFREJK-HNNXBMFYSA-N 360.483 3.679 0 40 FHAB CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc(F)c2)SC1=S 222170178 ZKWSFKSHQLLQIJ-QUMQCBJBSA-N 353.440 3.526 0 40 FHAB COc1ccc(C(=O)Nc2cc(N)ccc2N2CCCC[C@H]2C)cc1OC 226255300 SCZVVPWTVMRJPK-CQSZACIVSA-N 369.465 3.917 0 40 FHAB Cc1ccc(NC(=S)NCCSC(C)(C)C)cc1N1CCCC1=O 225352407 JLORZNAHILHAQM-UHFFFAOYSA-N 365.568 3.940 0 40 FHAB CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(Cl)cc1 224705446 MBARKBJJSGMVCZ-UHFFFAOYSA-N 355.843 3.572 0 40 FHAB COc1cccc(OCC(=O)NCCCc2cccc(OC(C)C)c2)c1 222791836 CUHPXCPHOHJDEW-UHFFFAOYSA-N 357.450 3.610 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N[C@@H](C)C(C)C)ccc2C)cc1 225204856 PGZUTCCJQGINOZ-INIZCTEOSA-N 374.506 3.879 0 40 FHAB COc1ccc(NC(=O)C2(C)COC(C(C)C)OC2)cc1C(F)(F)F 225953478 ODFXPKADVZAOAC-UHFFFAOYSA-N 361.360 3.688 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)CCc1nc(-c2cccc(F)c2)no1 225802067 ZWLWUKYZQIRMCB-ZDUSSCGKSA-N 351.381 3.786 0 40 FHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1 224977558 BGBSVYPFXCZHID-MOPGFXCFSA-N 366.505 3.951 0 40 FHAB Cc1ccc(-n2nnc(C(=O)Nc3cc(C)cc4cccnc34)c2C)cc1 91794123 AMNTXYWIKRQMBA-UHFFFAOYSA-N 357.417 3.993 0 40 FHAB Cc1cccc(C(=O)N2CC[C@@H](N(C)C(C)C)[C@@H]2Cc2ccccc2)n1 96061674 KGHPZGSVIJYEJR-RTWAWAEBSA-N 351.494 3.556 0 40 FHAB O=C(/C=C\c1cccs1)N1C[C@@H](c2ccccc2)[C@@H](c2ncon2)C1 253403481 PZIIEGVBBUMZAM-JIPXFFRKSA-N 351.431 3.554 0 40 FHAB O=C(NCC1(c2ccccc2)CCOCC1)N[C@@H]1CCc2c(F)cccc21 619391725 CHNBSYLUFPUQAW-HXUWFJFHSA-N 368.452 3.861 0 40 FHAB C[C@H]1CN(c2cccc(Cl)c2)CCN1C(=O)c1ccc2nc(O)oc2c1 652358649 ZSTYRDQRVRGIJY-LBPRGKRZSA-N 371.824 3.538 0 40 FHAB Cc1cc2ccc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C)cn2c1 672967240 OGSKBGCZSRMVTC-PGRDOPGGSA-N 361.489 3.888 0 40 FHAB O=C(Nc1cnn(C[C@H]2CCCCO2)c1)c1ccc(OC(F)(F)F)cc1 390828629 SKXIYEDLRJSLMX-OAHLLOKOSA-N 369.343 3.603 0 40 FHAB O=C(CCc1ccc(Cl)c(Cl)c1)N1CC(OCC(F)(F)F)C1 390832089 XCXVCDMQJXVWPG-UHFFFAOYSA-N 356.171 3.716 0 40 FHAB COc1ccc(CN(Cc2cccc3cccnc23)C[C@@H](C)O)cc1OC 13991766 KZPFQICSZONLTM-MRXNPFEDSA-N 366.461 3.635 0 40 FHAB N#Cc1cccc(/C=C2/NC(=S)N(c3ccccc3C(F)(F)F)C2=O)c1 14178160 SCDOACLNIZXWLZ-NTEUORMPSA-N 373.359 3.839 0 40 FHAB CCCCCC(=O)CC[C@@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 15111001 VSRXYLYXIXYEST-IMNPTBDCSA-N 352.471 3.683 0 40 FHAB Cc1cc(C)cc(C2=N/C(=C\c3ccc(N4CCOCC4)s3)C(=O)O2)c1 15262039 UVFQNDXYZMYODM-ATVHPVEESA-N 368.458 3.546 0 40 FHAB O=C(c1cccnc1)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1 19337397 BEZRVMPATWUNKX-UHFFFAOYSA-N 374.366 3.997 0 40 FHAB Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@@H](c3cc4cccnc4[nH]3)C2)n1 19572816 KECNOWFBKHMMCF-SJLPKXTDSA-N 365.481 3.734 0 40 FHAB COCCOc1cccc(CN2CCC(c3cc4ncccc4[nH]3)CC2)c1 19593784 KHMOIZGXQQUXOF-UHFFFAOYSA-N 365.477 3.968 0 40 FHAB CN(C)[C@@H](CNC(=O)Cc1cccc2cccnc12)c1cccc(Cl)c1 19662686 LDQOKVPRFIOICP-IBGZPJMESA-N 367.880 3.850 0 40 FHAB O=C(CC[C@@H]1CCC(=O)N1)Nc1cccc(-c2nc3ccccc3s2)c1 19717312 QOSHXTCOZOCSBY-AWEZNQCLSA-N 365.458 3.961 0 40 FHAB Cc1ccc(-n2ccc3nc(N4CCCCC4)ncc3c2=O)cc1Cl 19958885 ACGDAZVSOYQLDB-UHFFFAOYSA-N 354.841 3.733 0 40 FHAB COc1ccc(OC)c(-c2c(C)c3cc(OCC(C)=O)ccc3oc2=O)c1 4088796 LHPPKOYPKCGEHS-UHFFFAOYSA-N 368.385 3.753 0 40 FHAB biogenic O=C(O)[C@H](c1ccc(F)cc1)N1CCC(Cc2nc(C3CCC3)no2)CC1 629372103 DOUCFEZNBDJPQM-SFHVURJKSA-N 373.428 3.557 0 40 FHAB COc1cccc([C@H]2CCCN2Cc2cc3c(cc2C)n(C)c(=O)n3C)c1 19716017 LJCYJFABZQAUTG-LJQANCHMSA-N 365.477 3.531 0 40 FHAB COc1c(C)cccc1C(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CN)CC1 257259337 KXVXIPDWBXKBDR-ZWOKBUDYSA-N 367.493 3.635 0 40 FHAB Cc1ccc(-c2csc3ncn(CC(=O)N[C@H](C)C(C)C)c(=O)c23)cc1 5318189 FPKULQCTGCTHFG-CQSZACIVSA-N 369.490 3.594 0 40 FHAB C[C@@H](Oc1ccc(F)cc1Br)c1nc2ccccc2c(=O)[nH]1 15952937 GPICJXKLNWVOOS-SECBINFHSA-N 363.186 3.965 0 40 FHAB CC(C)[C@@H](Cn1nccn1)NC(=O)c1cccc(Oc2ccc(F)cc2)c1 245130896 VDGHSKCSLARDFX-LJQANCHMSA-N 368.412 3.664 0 40 FHAB COc1ccc(-c2nnc(NC(=O)c3ccccc3Cl)o2)c(OC)c1 4329999 HEGXLDBNIDPYJH-UHFFFAOYSA-N 359.769 3.660 0 40 FHAB O=c1[nH]nc(SCc2ccccc2F)n2nc(-c3ccc(F)cc3)cc12 16843971 TYBGGTKLJZSLHI-UHFFFAOYSA-N 370.384 3.655 0 40 FHAB COc1cccc(NC(=O)N2CCC[C@@H](COc3cccc(C)n3)C2)c1 1775969352 MMHQWUSDLRGCEA-MRXNPFEDSA-N 355.438 3.722 0 40 FHAB Cc1noc(C)c1CCC(=O)NCc1cc(-c2ccc(Cl)cc2)on1 38582152 UHYDXODMCSGJBI-UHFFFAOYSA-N 359.813 3.849 0 40 FHAB Cc1cccc(NC(=O)CSc2cc(C)nc(-c3cccnc3)n2)c1 49007058 GDRPPMNSBMBZTK-UHFFFAOYSA-N 350.447 3.886 0 40 FHAB CC(=O)OC(C)(C)C(=O)c1ccc(Br)c(C(F)(F)F)c1 575362651 RIVWZXWKDSORKZ-UHFFFAOYSA-N 353.134 3.992 0 40 FHAB CC[C@@H](C)[C@H](CO)NC(=O)c1sc(-c2ccccc2Cl)nc1C 36579884 JWBZAQHBGAYKIK-YGRLFVJLSA-N 352.887 3.909 0 40 FHAB Cc1ccc(CN(C(=O)CCNC(=O)c2ccc(Cl)cc2)C(C)C)o1 40154996 HBZRUOWNZDSHEC-UHFFFAOYSA-N 362.857 3.799 0 40 FHAB COCCCC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 40132422 BWEASLKDUFSRKR-INIZCTEOSA-N 354.450 3.885 0 40 FHAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc2ccccc2[nH]1 11228250 LUVYMXHYAFOTIV-UHFFFAOYSA-N 358.781 3.625 0 40 FHAB Cc1nc(C(=O)N[C@H](c2ccccc2)C2CC2)nn1-c1ccc(F)cc1 11217415 XMARXPSBUUGHKK-GOSISDBHSA-N 350.397 3.596 0 40 FHAB COc1ccc(O[C@H](C)C(=O)N[C@@H](c2ccccc2)C(F)(F)F)cc1 59301634 AFXDERATUSUJTD-WBMJQRKESA-N 353.340 3.882 0 40 FHAB COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(Cl)c(Cl)c1 2430701 FWRBXIYRSFHNHJ-HNNXBMFYSA-N 367.232 3.899 0 40 FHAB Cc1cc(C)n2nc(C(=O)Nc3ccccc3Cc3ccccc3)nc2n1 2653905 SNNWBTZWTNTPKP-UHFFFAOYSA-N 357.417 3.584 0 40 FHAB Cc1c(CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cnn1C 2766019 ZRLCRQFQVXRMNJ-UHFFFAOYSA-N 356.429 3.874 0 40 FHAB O=C1CSc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2N1 3042896 RFOBSOZJWUDBJY-UHFFFAOYSA-N 366.486 3.826 0 40 FHAB O=C(NC1CCN(C(=O)Nc2ccccc2Cl)CC1)c1ccccc1 4888478 RGLAFLCFVWEYKW-UHFFFAOYSA-N 357.841 3.766 0 40 FHAB Cc1ccc(C(=O)NC(C)(C)C)cc1S(=O)(=O)Nc1cccc(C)c1C 6024055 XFHMKDXSDDVRCK-UHFFFAOYSA-N 374.506 3.941 0 40 FHAB CCCCCC(=O)Nc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1 7387920 BSDJGJDMGUWDDP-UHFFFAOYSA-N 359.514 3.900 0 40 FHAB C[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1cc2ccccc2o1 8156301 VOIFGCFENDSTGZ-OAHLLOKOSA-N 362.429 3.980 0 40 FHAB CC[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(C)cc1 7792619 PFCMQDWSWFKLNB-IBGZPJMESA-N 364.445 3.639 0 40 FHAB CCN(CC(=O)NCC1(c2ccccc2)CCOCC1)C1CCCCC1 52559533 PLTGHGRJOPYZJW-UHFFFAOYSA-N 358.526 3.506 0 40 FHAB Cc1cc(CNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)ccc1F 32904051 BVKQYHFHDGMXRF-UHFFFAOYSA-N 351.425 3.796 0 40 FHAB CC(C)(C)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C(=O)Nc1cccc(F)c1 100426518 CXFPZIGACJRKBI-IAGOWNOFSA-N 361.461 3.905 0 40 FHAB CCOc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1OCC 8498973 QURHOORLKKNZCP-UHFFFAOYSA-N 355.500 3.875 0 40 FHAB O=C1C[C@@H](C(=O)OCc2coc(-c3ccccc3)n2)c2ccc(F)cc2N1 21857392 QJURRCFLJQBMKJ-MRXNPFEDSA-N 366.348 3.650 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2cccc(OC)c2)c1 20048156 FRNBSSKFFZNAEA-AWEZNQCLSA-N 357.406 3.586 0 40 FHAB O=C(c1c(F)cccc1F)N1CCN(Cc2cccc(Cl)c2)CC1 29921561 CYDASRNLECIHQP-UHFFFAOYSA-N 350.796 3.576 0 40 FHAB CC[C@H](C)c1ccc(NC(=O)COC(=O)c2ccc(C(=O)OC)cc2)cc1 9480297 ZHGNQHSXRIYIEC-AWEZNQCLSA-N 369.417 3.782 0 40 FHAB Cn1nc(C2CCCCC2)cc1NS(=O)(=O)c1cccc2cccnc12 178022815 XNYZHSSVFAZRGT-UHFFFAOYSA-N 370.478 3.817 0 40 FHAB Cc1cc(C(=O)N2CCN(C)c3cc(F)ccc32)c2c(C(C)C)noc2n1 174457757 HXZWVXFOJGJBGW-UHFFFAOYSA-N 368.412 3.890 0 40 FHAB CC[C@@H](NS(=O)(=O)c1ccsc1C(=O)OC)c1ccc(Cl)cc1 23436382 RYLSPMZDUMYVQV-GFCCVEGCSA-N 373.883 3.618 0 40 FHAB COc1cc(C(=O)OCC(=O)c2ccc3ccccc3c2)cc(OC)c1O 12289161 OREZGHSHAWSTMX-UHFFFAOYSA-N 366.369 3.602 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@@H]1NC(=O)c2ccccc2N1 20915752 SVEPTBWFKXRYJY-KRWDZBQOSA-N 356.788 3.827 0 40 FHAB COc1cccc([C@@H]2CC(=O)Nc3ccc4nn(-c5ccccc5)nc4c32)c1 96116957 RXHFGSVDVNECLU-KRWDZBQOSA-N 370.412 3.903 0 40 FHAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2CN(O)C[C@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100367394 LBABUPQHIRDXKV-ZMJBZLFPSA-N 361.526 3.960 0 40 FHAB O=C(Nc1nc2ccccc2s1)[C@H]1CCCN(C(=O)c2cccs2)C1 24829521 LRGSBJJLWXBVMB-LBPRGKRZSA-N 371.487 3.849 0 40 FHAB COC(=O)c1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)s1 25062435 OGXUMBMLVANIRN-UHFFFAOYSA-N 358.444 3.834 0 40 FHAB CC(=O)c1cccc(OC[C@@H](O)CN(C)[C@@H](C)c2ccc(F)c(F)c2)c1 34870244 VZAHBJUSERMORJ-GUYCJALGSA-N 363.404 3.600 0 40 FHAB CCOC(=O)[C@@H]1CCCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C1 56067938 DSEHBUBONYCZID-SNVBAGLBSA-N 369.248 3.890 0 40 FHAB Cc1nc(S[C@@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)oc1C 47558441 ISAACWNQAMUSDG-OAHLLOKOSA-N 362.426 3.744 0 40 FHAB C[C@H](NC(=O)Nc1ccc2c(c1)CCCN2C)c1ccc2c(c1)CCO2 61785862 ILXKTMPMISLWPD-AWEZNQCLSA-N 351.450 3.887 0 40 FHAB CCCCc1ccc(NC(=O)COC(=O)COc2ccc(C)cc2)cc1 1781928 VUWYPQKVSYAOEN-UHFFFAOYSA-N 355.434 3.898 0 40 FHAB Cc1cc(C(=O)N[C@@H]2CCOc3ccccc32)c(C)n1CC(F)(F)F 27108262 BJZPFCNCDGAGIM-OAHLLOKOSA-N 352.356 3.921 0 40 FHAB CCn1cc2ccc(NC(=O)c3cc(Cl)c(OC)c(OC)c3)cc2n1 58023027 VJSFPPCGDKFCHD-UHFFFAOYSA-N 359.813 3.979 0 40 FHAB CSc1ncc(Cl)c(C(=O)N2CCc3[nH]c4ccccc4c3C2)n1 58162536 DVOZBTAMRKNJFV-UHFFFAOYSA-N 358.854 3.532 0 40 FHAB COC(=O)c1sc(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)nc1C 58392132 AJPVFCFLMDGMBQ-QWRGUYRKSA-N 350.827 3.634 0 40 FHAB Cc1cc(NC(=O)COc2ccc3ccc(C(F)(F)F)nc3c2)no1 58394159 KKZWSCUDWNUYSK-UHFFFAOYSA-N 351.284 3.568 0 40 FHAB C[C@@H](Sc1ccccc1)C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 12538797 FMFPVDRCDRPREY-RDTXWAMCSA-N 369.465 3.946 0 40 FHAB O=C(Nc1ccc(F)cc1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 11008568 YNTQWUGOCCWMJC-AWEZNQCLSA-N 357.433 3.555 0 40 FHAB C[C@H](NC(=O)CSc1ccc(Br)cc1)c1ccccn1 28779657 DJBDYLQPFHPFDJ-NSHDSACASA-N 351.269 3.814 0 40 FHAB COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(-c2cccs2)[nH]c1=O 69159623 KDNWUUAXRQNAFT-ZDUSSCGKSA-N 368.458 3.911 0 40 FHAB O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1)C1CC1 12627321 TWULBPQCINAGNP-LJQANCHMSA-N 374.444 3.889 0 40 FHAB CCOC(=O)COc1ccc2c(=O)c(Oc3ccccc3F)coc2c1C 3303198 RFBMDWBESVUZNH-UHFFFAOYSA-N 372.348 3.975 0 40 FHAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1 3332191 ILKUVXSTBYBQSS-UHFFFAOYSA-N 373.352 3.683 0 40 FHAB Cn1ccnc1SCC(=O)Nc1ccc(OCc2ccccc2)cc1 3376803 KYKAYAIHLSPDAT-UHFFFAOYSA-N 353.447 3.730 0 40 FHAB C[C@@H](NC(=O)CN(C)Cc1ccc(Br)cc1)c1ccccc1 3431413 DTTMFMKEELJZBE-CQSZACIVSA-N 361.283 3.758 0 40 FHAB Cc1cc(Br)ccc1NS(=O)(=O)c1c(F)cccc1F 3546536 SUODOMCHSQWOHM-UHFFFAOYSA-N 362.195 3.837 0 40 FHAB O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)NCc1ccco1 3622066 BPRZVMIOZRJPPA-UHFFFAOYSA-N 367.785 3.760 0 40 FHAB Fc1cccc([C@H]2C[C@H](c3cccc(Br)c3)Nc3nnnn32)c1 13123570 IHHHDYSSLPNVGO-HUUCEWRRSA-N 374.217 3.721 0 40 FHAB COc1ccccc1C(=O)OCC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 5078918 CCQMHAUOTYXZAR-HIGJEIRPSA-N 371.477 3.573 0 40 FHAB COc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1C(C)C 8497998 BLISLBYXOZRLAF-UHFFFAOYSA-N 353.871 3.951 0 40 FHAB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O 4470687 GUCSPDBIXXQBNX-MHWRWJLKSA-N 370.405 3.809 0 40 FHAB Cc1cc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)on1 14093905 BGCVNSOZRHWMIV-UHFFFAOYSA-N 372.428 3.825 0 40 FHAB O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)Nc1cccc2ccccc12 5399502 HTYORUCDBLUZQU-UHFFFAOYSA-N 373.387 3.841 0 40 FHAB Cn1c(=O)n(CC(=O)Oc2ccc(Cl)c3ccccc23)c2ccccc21 14106543 UVAXUVBAWOYDFQ-UHFFFAOYSA-N 366.804 3.752 0 40 FHAB COCCn1c(-c2ccc3c(c2)OCO3)cnc1NCc1cccc(C)c1 4679083 BQMPUKWLMAZOTD-UHFFFAOYSA-N 365.433 3.846 0 40 FHAB C[C@@H](O)c1cccc(NC(=O)c2ccccc2I)c1 4666655 QHKHEVIEFJLDMU-SNVBAGLBSA-N 367.186 3.597 0 40 FHAB CCN1CCN(c2ccc(NC(=O)c3ccc(OC)cc3F)cc2C)CC1 8780472 YITDVLSXEVGSFC-UHFFFAOYSA-N 371.456 3.537 0 40 FHAB COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2C)cc1OC 408596763 UHZGXYYGTUHJFV-UHFFFAOYSA-N 364.854 3.792 0 40 FHAB CCCCCn1c(O)c(C(=O)Nc2ccncc2)c(=O)c2ccccc21 5694859 LGSAPNAIJRDEDO-UHFFFAOYSA-N 351.406 3.545 0 40 FHAB Cc1c(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)cnn1C(C)C 92312649 UNMBOAKAEFWMRI-OAQYLSRUSA-N 368.525 3.975 0 40 FHAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(F)cc3F)n2)cc1 5868327 VVHOCZVGWROMMC-UHFFFAOYSA-N 360.389 3.789 0 40 FHAB Cc1ccc(CNC(=O)[C@H](C)Sc2nc3cc(Cl)cnc3[nH]2)cc1 7175762 YIJPZYGWCKRGPN-NSHDSACASA-N 360.870 3.717 0 40 FHAB NC(=O)N[C@H](CC(=O)NC1CCCCCCC1)c1ccc(Cl)cc1 15613467 TUIIUJHDWSZFEB-MRXNPFEDSA-N 351.878 3.669 0 40 FHAB COc1ccc(OC)c(NC(=O)CCCc2nc(-c3ccccc3)no2)c1 16215325 ONJVDCGBWSUNFA-UHFFFAOYSA-N 367.405 3.715 0 40 FHAB CC(C)(C)n1cc(C(=O)N[C@H]2CCc3ccccc32)c(Br)n1 96001634 BKZKMSQXDIKVRV-AWEZNQCLSA-N 362.271 3.818 0 40 FHAB C[C@@H](NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccc2c(c1)CCO2 61241798 RFQBBZFETHOFQS-CYBMUJFWSA-N 353.466 3.941 0 40 FHAB Cc1c(NC(=O)c2cc(F)c(F)c(F)c2F)cccc1N1CCCC1=O 95364828 VFDQLJRETKMDAO-UHFFFAOYSA-N 366.314 3.931 0 40 FHAB Cc1nccn1CCCOC(=O)c1cc(Br)ccc1Cl 95448039 VNPGEJNNDCVFHJ-UHFFFAOYSA-N 357.635 3.855 0 40 FHAB C[C@H]1c2ccc(F)cc2C[C@@H](C)N1C(=O)c1cnc(-c2cnn(C)c2)s1 95455926 IEESCTWTZYETTD-NEPJUHHUSA-N 370.453 3.831 0 40 FHAB O=C(/C=C/c1ccc(F)cc1)NCc1nc(-c2ccc(Cl)cc2)no1 78579027 REWSNOFEOKOJPG-XCVCLJGOSA-N 357.772 3.859 0 40 FHAB Fc1ccc([C@H](c2ccccc2)N2CCC(CN3CCOCC3)CC2)cc1 78971190 KRPGQACYZJBYDR-QHCPKHFHSA-N 368.496 3.959 0 40 FHAB O=C(c1cccc(Br)c1)N1CCC[C@H](NCc2ccccc2)C1 79096493 GPMOXCYJWGUWAA-SFHVURJKSA-N 373.294 3.844 0 40 FHAB Cc1cc(C)cc(N(CCCC(=O)Nc2ccccc2C)S(C)(=O)=O)c1 113966956 BBKYCHMRDJMSGX-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB O=C(Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)NC1CC1 408979169 PMBLTINZZJSHER-UHFFFAOYSA-N 358.405 3.904 0 40 FHAB Cc1cccc(-n2c(C)nnc2SCCOc2ccccc2C#N)c1 60422800 PYUYNTXLGUCOTN-UHFFFAOYSA-N 350.447 3.927 0 40 FHAB Oc1cc(-c2nc(Cc3ccc(C(F)(F)F)nc3)no2)cc(C2CC2)n1 528252056 PTNFCIPZTJGBPK-UHFFFAOYSA-N 362.311 3.719 0 40 FHAB C[C@@H](NC(=O)NC[C@H](O)c1ccccc1F)c1ccc2c(c1)CCCC2 71917683 TZYLYKPLAZVNFU-VLIAUNLRSA-N 356.441 3.798 0 40 FHAB COc1ccc(Oc2cc(C)nc([C@@H]3CCCN3Cc3ncc[nH]3)n2)cc1 72384336 NKZQUFWKNQMFNZ-KRWDZBQOSA-N 365.437 3.646 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 38771308 WDGIYTTVRFBTLB-CXAGYDPISA-N 361.413 3.878 0 40 FHAB O=C(NCCCc1ccc(Cl)cc1)c1cccc(CN2CCOCC2)c1 216364653 BQZIYKUFSXEOLU-UHFFFAOYSA-N 372.896 3.535 0 40 FHAB Cc1nc(=O)c2cc(Cl)ccc2n1C1=CCN(Cc2ccco2)CC1 72348323 CYMMASZNYTWALE-UHFFFAOYSA-N 355.825 3.698 0 40 FHAB O=C(Nc1ccccc1-c1ccccc1)C1CCN(c2ncccn2)CC1 35291008 IIVHVYGRBHLAQQ-UHFFFAOYSA-N 358.445 3.999 0 40 FHAB O=C(CCc1ccc(Cl)cc1)NCc1ccc(CN2CCCC2=O)cc1 79221281 KPWFRXBRWCWLHN-UHFFFAOYSA-N 370.880 3.711 0 40 FHAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 222863497 DJPCNLXNFXNPAH-RTBURBONSA-N 363.490 3.650 0 40 FHAB CC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225602292 WRXUPVWGGBHFQZ-LLGFUMIMSA-N 362.514 3.797 0 40 FHAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1 223438708 AORIVILUHIIEMT-UHFFFAOYSA-N 370.883 3.821 0 40 FHAB O=C(Cc1cccnc1)N1CCC2(CCN(CC3CCCCC3)CC2)C1 96157519 GPQRHQHWMNLKAG-UHFFFAOYSA-N 355.526 3.519 0 40 FHAB CN(C)Cc1cccc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2F)n1 257265574 LZFXBUHWBUOTBV-SJFMBGHLSA-N 353.441 3.659 0 40 FHAB Cc1cc(C(=O)N2CCCC[C@H]2c2ccc(C(C)C)cc2)ncc1C(N)=O 649267735 WPROGFZNMOKLMJ-FQEVSTJZSA-N 365.477 3.980 0 40 FHAB Cc1nc2ccccn2c1CNC1CCN(Cc2ccc(F)c(F)c2)CC1 1648837402 PXVYCLXQZFIENC-UHFFFAOYSA-N 370.447 3.675 0 40 FHAB COC1(CNC(=O)NCc2ccc(Cl)cc2)C2CC3CC(C2)CC1C3 96123936 DENXRVKAONKVEF-UHFFFAOYSA-N 362.901 3.981 0 40 FHAB Cc1ccccc1OCC(=O)NCC1(Sc2ccccc2)CCOCC1 96331021 YNRMVOQPUQSSMI-UHFFFAOYSA-N 371.502 3.832 0 40 FHAB COc1cc(SC)ccc1C(=O)OCC(=O)Nc1ccc(C)cc1C 5673616 ZZSYNEVPQSMVIY-UHFFFAOYSA-N 359.447 3.829 0 40 FHAB Cc1ccc(-c2csc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)n2)c(C)c1 5927468 JOTQGCJYZQDHRF-OQUILHJVSA-N 368.458 3.888 0 40 FHAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC(O)(c2ccccn2)CC1 12117445 YAXJNCQGZSRQMB-UHFFFAOYSA-N 372.468 3.801 0 40 FHAB COc1ccc2cc(/C=C/C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)ccc2c1 12729483 WNSPAOFIJXNPGE-YCRREMRBSA-N 359.385 3.670 0 40 FHAB O=C(Nc1ccc(Cl)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 16525031 NAQUEKAPMKGRTH-UHFFFAOYSA-N 370.840 3.852 0 40 FHAB CCCc1nn(CC(=O)Nc2cccc(CC)c2)c(=S)n1-n1cccc1 16778225 LTGHDLBNOUUSKU-UHFFFAOYSA-N 369.494 3.681 0 40 FHAB CCCCc1ccc(NC(=O)Cn2ncn(-n3cccc3)c2=S)cc1 16807036 AZUMHIQNYZAIMM-UHFFFAOYSA-N 355.467 3.508 0 40 FHAB CS(=O)(=O)Nc1ccccc1C(=O)OCc1ccc(Cl)c(Cl)c1 18263299 ZVAZEIKKTADLOI-UHFFFAOYSA-N 374.245 3.722 0 40 FHAB Cc1cc(C(=O)N2CCC(Oc3cccnc3)CC2)c2cccc(C)c2n1 19236711 DDNSOEWAQKNVOF-UHFFFAOYSA-N 361.445 3.930 0 40 FHAB C[C@@H]1CCCCN1CCNCc1nc(-c2ccc(C(F)(F)F)cc2)no1 19496375 SDSGIDKAYNAHTH-CYBMUJFWSA-N 368.403 3.719 0 40 FHAB CCC[C@@H](C(=O)N1CCCC[C@@H]1CCN1CCCC1)n1nc(C)cc1C 19501790 FKNBVJVTCOHCHW-UXHICEINSA-N 360.546 3.708 0 40 FHAB O=C(CC1CCCCC1)N1CCC(c2nnc3ccc(C4CC4)nn23)CC1 1888857189 FQSFSQQSIYWLJP-UHFFFAOYSA-N 367.497 3.678 0 40 FHAB COc1cc(OC)c(N[C@H](C)C(=O)NCCc2ccccc2)cc1Cl 28797830 NZXKUPLLASDZFZ-CYBMUJFWSA-N 362.857 3.517 0 40 FHAB Nc1ccc(NC(=O)COc2ccccc2Cl)c(Br)c1 37274394 AFEWJBSGZJOLJA-UHFFFAOYSA-N 355.619 3.702 0 40 FHAB COCc1ccc(C(=O)N2CCC[C@](COc3ccccc3)(OC)C2)cc1 2037909304 PLXSAZRRHKFBBD-QFIPXVFZSA-N 369.461 3.533 0 40 FHAB COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccccc1Cl 85412978 XCMBAKBQAUEWGW-YOEHRIQHSA-N 356.761 3.512 0 40 FHAB Cc1nn(-c2ccccc2)c2ncc(C(=O)NCc3ccco3)c(Cl)c12 4941113 WPCSXUHLYDGUEW-UHFFFAOYSA-N 366.808 3.905 0 40 FHAB CC(=O)c1cc(C(=O)OCC(=O)Nc2cccc(Cl)c2)c2ccccn12 10272906 PXVFZHADUIGHRC-UHFFFAOYSA-N 370.792 3.591 0 40 FHAB CCCc1nnc(-c2cc3ccccc3n2CC(=O)NCc2ccccc2)o1 15881462 XDTZABVDDOYBIX-UHFFFAOYSA-N 374.444 3.960 0 40 FHAB COc1c(F)c(F)cc(C(=O)NCc2cncc(-c3ccco3)c2)c1F 575414521 VPUOBVKRHXCDNJ-UHFFFAOYSA-N 362.307 3.698 0 40 FHAB CCCCN(CCCC)C(=O)Nc1ccccc1C(=O)N1CCOCC1 40104712 UBSUVZXSQVNKTJ-UHFFFAOYSA-N 361.486 3.593 0 40 FHAB CC[C@@H](C)[C@H](N)C(=O)Oc1ccc2c(=O)c(Oc3ccccc3)coc2c1 20111188 OWHLPMCKCJULPG-YJYMSZOUSA-N 367.401 3.864 0 40 FHAB biogenic COc1ccc(C)cc1CC(=O)Nc1ccccc1C(=O)NC1CCCC1 17365996 OHICVHWSIZMJIW-UHFFFAOYSA-N 366.461 3.857 0 40 FHAB CCc1ccccc1-n1cc2c(c1-c1ccc(C)cc1)c(=O)n(C)c(=O)n2C 2422668 NKLREQGQJJXRSV-UHFFFAOYSA-N 373.456 3.566 0 40 FHAB C[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1cccc(N2CCOC2=O)c1 68664017 WFVCXIAFWJTUMK-GFCCVEGCSA-N 367.380 3.755 0 40 FHAB CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)Nc3ccccc32)sc(C)c1C 29030802 QZARNJSRMLWHEE-ZDUSSCGKSA-N 372.446 3.606 0 40 FHAB Cc1ccccc1OCCN(C)Cc1nc(O)c2oc3ccccc3c2n1 29149634 FLYOQQDGSFKZFT-UHFFFAOYSA-N 363.417 3.901 0 40 FHAB C=CC[C@@H]1C(=S)SC(C(=O)OCC)=C1NC(=O)c1cccs1 1107452 HYVDYQZUPKWTKU-VIFPVBQESA-N 353.490 3.519 0 40 FHAB S=C1N[C@@]2(CS1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 4615169 PYQOBJOYXXTDQX-MAUKXSAKSA-N 353.472 3.505 0 40 FHAB CCCOc1cccc(C(=O)Nc2ccc(NC(=S)NC(C)=O)cc2)c1 6241152 FKDIGEYTJHIBRL-UHFFFAOYSA-N 371.462 3.561 0 40 FHAB CCCCOc1ccc(/C=C2\SC(=O)N(CCOC)C2=O)cc1OC 6651675 CIZSFASQUJJZSI-VBKFSLOCSA-N 365.451 3.557 0 40 FHAB CCOc1cc(CNCc2ccncc2)cc(Br)c1OC 6870214 TVXMVPHWXNJBAL-UHFFFAOYSA-N 351.244 3.541 0 40 FHAB Cc1ccc(-n2c(C)nnc2SCC(=O)N2CCCC[C@H]2C)cc1C 6966751 CGALUBASSGWWRJ-OAHLLOKOSA-N 358.511 3.686 0 40 FHAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(C)cc2C)CC1=O 7610178 JDSLSRISNSTIPG-AWEZNQCLSA-N 372.852 3.957 0 40 FHAB COc1ccccc1NC(=O)COC(=O)c1c(C)nc2ccccc2c1C 7710757 ULSMLUDEUIWLQR-UHFFFAOYSA-N 364.401 3.656 0 40 FHAB COc1cc(C(=O)NC[C@@H](c2ccccc2)N(C)C)ccc1OC(C)C 2633046 VXDQRCXOBQHSED-SFHVURJKSA-N 356.466 3.515 0 40 FHAB O=C(NCCc1ccc(C(F)(F)F)cc1)C1C[C@H]2CCC[C@H](C1)C2=O 103047710 OCVINOKWINWYPG-ZIAGYGMSSA-N 353.384 3.760 0 40 FHAB Cc1cc(Br)c(S(=O)(=O)NCc2ccccc2)cc1Cl 54363101 LVOPQUZBEAWURL-UHFFFAOYSA-N 374.687 3.889 0 40 FHAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccc(F)cc1C(F)(F)F 46817709 VPHMCORVPSAKSR-HWPZZCPQSA-N 369.314 3.689 0 40 FHAB CC(C)(C)OC(=O)N(CCCNC(=O)c1ccccc1)Cc1cccnc1 47232761 CTAOACOUUILDRE-UHFFFAOYSA-N 369.465 3.639 0 40 FHAB Cn1c(SCC(=O)c2ccccc2)nc2sc3c(c2c1=O)CCCC3 869101 COOVRARMRYQLPQ-UHFFFAOYSA-N 370.499 3.849 0 40 FHAB CC(C)NC(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 890870 DZDXCNISJLDQNW-UHFFFAOYSA-N 373.375 3.918 0 40 FHAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)C2CCN(C(=O)c3ccoc3)CC2)o1 47644079 CKKNHFKRDOBCDE-KDOFPFPSSA-N 370.449 3.507 0 40 FHAB CCn1cc(Br)c(C(=O)Nc2ccccc2C(F)(F)F)n1 28239212 XMDWYKFCUKMNAD-UHFFFAOYSA-N 362.149 3.937 0 40 FHAB O=C(NCc1ccccn1)c1ccc(SCc2cn3ccccc3n2)cc1 12520561 AIVFHRBISSTFQU-UHFFFAOYSA-N 374.469 3.952 0 40 FHAB CCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(Cl)cc1)C3 20632632 FRNWKNDSHLUMOE-NSHDSACASA-N 358.854 3.802 0 40 FHAB CSc1cc(C(=O)CSc2nccn2C2CC2)ccc1NC(C)=O 43242555 IERPTVQXWQPSLW-UHFFFAOYSA-N 361.492 3.873 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)Nc1nc2ccccc2nc1N1CCCC1 24972387 FHVDQNQVFOLUTP-UHFFFAOYSA-N 371.444 3.893 0 40 FHAB O=C(NCCCn1ccc2ccccc21)c1ccc(C(F)(F)F)nc1O 25009969 CTDHJFLFHOTQSH-UHFFFAOYSA-N 363.339 3.581 0 40 FHAB Cc1cccc2c(=O)n(CCC(=O)N3CCC[C@@H]3C3CCCCC3)cnc12 55599956 BTCLRICCXSNEBD-LJQANCHMSA-N 367.493 3.666 0 40 FHAB O=C(c1cccs1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 25877126 OKWAYHKPGRRKHD-UHFFFAOYSA-N 355.385 3.514 0 40 FHAB CCCCN(C)C(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1 57486612 HHUSYTRLXSTPJN-UHFFFAOYSA-N 356.401 3.603 0 40 FHAB O=C(c1c(F)cccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1 29919752 RWBPEWRPWZETPM-UHFFFAOYSA-N 350.796 3.576 0 40 FHAB COc1ccc(C)cc1[C@H](C)NC(=O)CCc1nc(-c2ccsc2)no1 58115134 BGDUSENKWDMETD-ZDUSSCGKSA-N 371.462 3.925 0 40 FHAB CC(C)(C)c1noc(CCCC(=O)NCc2ccccc2N2CCCC2)n1 58248409 VGTCINXMWBMIJI-UHFFFAOYSA-N 370.497 3.606 0 40 FHAB CC(C)(C)OC(=O)NCC1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 58213074 LXLDBFWRWCJYMR-UHFFFAOYSA-N 357.454 3.545 0 40 FHAB Cc1ccc2c(c1)N(CC(=O)Nc1cccc(Cl)c1Cl)C(=O)CO2 10682509 LFCNTTKAAQMZNX-UHFFFAOYSA-N 365.216 3.666 0 40 FHAB COc1ccc(-c2noc(CCC(=O)Nc3ccccc3C)n2)cc1OC 2329297 RMLOZWIIDSIVIB-UHFFFAOYSA-N 367.405 3.634 0 40 FHAB COc1ccccc1[C@H](O)[P@@](=O)(OC(C)C)c1ccc(N(C)C)cc1 2375276 JTBVPPFEPDCPLN-CLOONOSVSA-N 363.394 3.781 0 40 FHAB O=C(CCn1nnc(-c2ccc(Cl)cc2)n1)Nc1ccccc1Cl 12786498 HDFGWHRGKXVKFN-UHFFFAOYSA-N 362.220 3.676 0 40 FHAB CC(C)n1ncc2cc(C(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)cnc21 25145521 BRGQXCIHLZUDDR-ZIAGYGMSSA-N 354.376 3.863 0 40 FHAB Cc1cc(C(=O)N[C@H](C)c2ccccn2)c2c(C)nn(C(C)(C)C)c2n1 48277239 MZHNRYPFBRTPTN-CYBMUJFWSA-N 351.454 3.689 0 40 FHAB C[C@H](CN1CCCC1=O)NC(=O)Nc1ccccc1SC1CCCC1 48260615 NSUZXUSEEIDBFP-CQSZACIVSA-N 361.511 3.854 0 40 FHAB C[C@H]1C[C@@H]1c1ccc(CN(C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)o1 12805523 SPPSQHPLELOSTR-NHYWBVRUSA-N 357.841 3.925 0 40 FHAB COc1ccc(C(=O)CSc2nnc(-c3ccccc3)o2)c(OC)c1 3521727 REKHDCVRROCBFC-UHFFFAOYSA-N 356.403 3.729 0 40 FHAB O=C(Cc1ccco1)N1CCC[C@@H]1c1ncn2cc(-c3cccnc3)ccc12 306130974 JTULWPXTPOSGHE-HXUWFJFHSA-N 372.428 3.896 0 40 FHAB CN1C(=O)[C@]2(Nc3ccccc3-c3nc4ccccc4n32)c2cc(F)ccc21 13787705 LVQBAMCCLXYWDX-QFIPXVFZSA-N 370.387 3.945 0 40 FHAB Cc1ccccc1OCCN(C)CCC(=O)Nc1ccnn1C1CCCC1 14079530 ANKJHXPQZUBJTN-UHFFFAOYSA-N 370.497 3.646 0 40 FHAB C[C@@H](NC(=O)c1ccc(Cn2cncn2)cc1)c1ccc2c(c1)CCCC2 14084652 QRRXVIGIZKJFMW-MRXNPFEDSA-N 360.461 3.696 0 40 FHAB CCCCc1ccc(CC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 14198971 ZXAOYASBKXHESH-CQSZACIVSA-N 352.434 3.930 0 40 FHAB C[C@H]1CN(Cn2nc(-c3cccs3)n(C3CC3)c2=S)C[C@@H](C)O1 14185615 KWTQGPGAVGWKHJ-TXEJJXNPSA-N 350.513 3.544 0 40 FHAB Cc1nc(N2CCC[C@H]2C(=O)N(C)C)c2c(-c3cccs3)csc2n1 14197755 CEAVTEDCJBFTPK-ZDUSSCGKSA-N 372.519 3.785 0 40 FHAB O[C@@](/C=C/c1cccc(C(F)(F)F)c1)(Cn1ccnc1)c1cccnc1 4626502 QHTJMWIPFJJLCC-DKFQHHCZSA-N 359.351 3.898 0 40 FHAB COc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccco4)nc32)cc1 6671836 KDZDXXDWTWIMEQ-UHFFFAOYSA-N 359.389 3.954 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[C@@H](C)c2ccccc2)cc1 4740424 PCSQZEKHOLBARC-MRXNPFEDSA-N 374.506 3.849 0 40 FHAB C[C@H]1CCc2sc(C(=O)OCC(=O)N3CCc4ccccc43)cc2C1 5773603 MWGPCYAMLUBQQS-ZDUSSCGKSA-N 355.459 3.619 0 40 FHAB COC(=O)c1ccc(O[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1 8705368 RSOPWFCMDHPEHD-SFHVURJKSA-N 366.373 3.528 0 40 FHAB C[C@@H](OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C(=O)NC1CCCC1 4890187 LRJBGBWXZKYVHO-CYBMUJFWSA-N 354.450 3.651 0 40 FHAB CN(C(=O)CSc1nnc2n1CCCCC2)[C@@H]1CCCc2ccccc21 6880333 GCVKBZITYWBGPG-QGZVFWFLSA-N 370.522 3.633 0 40 FHAB CCOc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)cc1 66803101 BTZHSUZLEMMORP-UHFFFAOYSA-N 362.433 3.932 0 40 FHAB COC1CCN(C(=O)c2cccc(C)c2NC(=O)c2ccccc2F)CC1 80286950 WASHRLYCVMBNEC-UHFFFAOYSA-N 370.424 3.637 0 40 FHAB O=C(COc1cccc(C(=O)NCc2ccccc2)c1)Nc1ccccc1 7735776 HXZYOARYPPVETK-UHFFFAOYSA-N 360.413 3.634 0 40 FHAB COc1ccc(-c2csc(NC(=O)C3CC3)n2)cc1Br 8983896 XVLBXKWNEQZMLI-UHFFFAOYSA-N 353.241 3.930 0 40 FHAB CCOC(=O)c1cnc2ccc(Oc3ccccc3)cc2c1NC[C@@H](C)O 19793268 HWYPDKPZDNANIV-CQSZACIVSA-N 366.417 3.997 0 40 FHAB CC(=O)Nc1ccc(NC(=O)CN2CC=C(c3ccc(C)cc3)CC2)cc1 9726831 ULFHOCDIBRMDQR-UHFFFAOYSA-N 363.461 3.681 0 40 FHAB O=C(Nn1c([C@@H]2CCCO2)n[nH]c1=S)c1cc2c(F)cccc2s1 9313473 WPIHGJIYALVTLT-JTQLQIEISA-N 364.427 3.530 0 40 FHAB Cc1nc(-c2ccccn2)sc1C(=O)NCCO[C@@H]1CCCC[C@H]1C 84064747 JPGUXACTSLLDDX-CZUORRHYSA-N 359.495 3.839 0 40 FHAB Cc1ccc(C(=O)OCC(=O)N2CCC[C@H]2c2cccs2)c(O)c1C 84147743 AHBPHOKSLZYLOZ-HNNXBMFYSA-N 359.447 3.591 0 40 FHAB Cn1c(C(=O)NC2CCN(Cc3ccccc3)CC2)cc2cc(F)ccc21 72404741 QITYFZOYZLZVLA-UHFFFAOYSA-N 365.452 3.712 0 40 FHAB C[C@H]1CCCCN1C(=O)c1ccn(COc2cccc(C(F)(F)F)c2)n1 27973147 YLCNJMCURBEKBO-ZDUSSCGKSA-N 367.371 3.953 0 40 FHAB CCOc1ccc(NC(=O)[C@@H](C)N2CC=C(c3cccnc3)CC2)cc1 95454755 XDXWHPQWFFDPIC-MRXNPFEDSA-N 351.450 3.597 0 40 FHAB Cc1ccccc1-n1nc(C(=O)NC[C@]2(C)CCCS2)c2c1CCC2 79101986 QDPSYBVGAUMNJZ-FQEVSTJZSA-N 355.507 3.685 0 40 FHAB CC(C)c1ccc(CNC(=O)C(=O)NCCCCc2ccccc2)cc1 408707211 LHNBTJCKZMNJND-UHFFFAOYSA-N 352.478 3.565 0 40 FHAB CCOc1ccc(/C=C2/SC(=O)N(CCOC)C2=O)c2ccccc12 409146223 KCVDIDXLLPGQPK-SFQUDFHCSA-N 357.431 3.921 0 40 FHAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5OC(=O)[C@@H]3[C@H]5C4)cc2)c1 408654753 GOMGYUNAXYJRAM-WNTFAFMFSA-N 363.413 3.923 0 40 FHAB COc1ccc(CN(C)C(=O)CSCc2ccc(C)cc2)cc1OC 30862820 RBYWNIDIVMMHBG-UHFFFAOYSA-N 359.491 3.904 0 40 FHAB C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 123300199 MULSOMSXPSGJAM-YAMRDXQCSA-N 364.526 3.698 0 40 FHAB COc1cc(CC(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc(OC)c1OC 36620820 VAXUJXUGEWKZBR-GOSISDBHSA-N 369.461 3.927 0 40 FHAB COc1nn(C)cc1C(=O)Nc1nc(-c2cc3ccccc3o2)cs1 38845180 CNDQWKRUXZESFZ-UHFFFAOYSA-N 354.391 3.551 0 40 FHAB CC1CCN(C(=O)CC2(N3Cc4ccccc4C3=O)CCSCC2)CC1 1565524270 DMTXQOGHYTXPSP-UHFFFAOYSA-N 372.534 3.557 0 40 FHAB Cc1ccc(C)c2sc(N(C)CC(=O)Nc3ccc4cn[nH]c4c3)nc12 70974004 NOUPPLMJLRZPED-UHFFFAOYSA-N 365.462 3.864 0 40 FHAB CSc1cc(C(=O)COc2ccc(F)cc2F)ccc1NC(C)=O 43243022 LUPFUWPPJWRXHT-UHFFFAOYSA-N 351.374 3.907 0 40 FHAB O=C(Cc1ccccc1)NCC(=O)Nc1ccc2c(c1)oc1ccccc12 40094140 ATBFBYIXIXJPQY-UHFFFAOYSA-N 358.397 3.883 0 40 FHAB COc1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1Cl 224985181 TWZZVRYJZUSGJB-UHFFFAOYSA-N 357.884 3.896 0 40 FHAB Cc1ccc(CS(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1 224828565 XWRXDBLDOMUQMG-UHFFFAOYSA-N 372.534 3.601 0 40 FHAB CO[C@](C)(C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1)C1CC1 225644578 FJSULGHVPIXIBA-VGSWGCGISA-N 374.525 3.941 0 40 FHAB COC(=O)c1ccc(NC(=O)c2ccc(OC)c(COCC(C)C)c2)cc1 224451575 PUHHNMAQCGSOJT-UHFFFAOYSA-N 371.433 3.907 0 40 FHAB Cc1ccccc1CNC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 225310303 INWCSBCQZSNGKA-UHFFFAOYSA-N 353.491 3.917 0 40 FHAB O=S(=O)(NCc1cccnc1-c1cccs1)c1ccccc1Cl 225762594 OOQZEGIXJPHIKB-UHFFFAOYSA-N 364.879 3.942 0 40 FHAB CCc1ccc(O[C@H](CC)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 222878346 UONUDDIQBKEAKJ-OAQYLSRUSA-N 370.468 3.894 0 40 FHAB CCCOC1(C(=O)Nc2ccc(OC(C)C)c(C(=O)OC)c2)CCCC1 225849512 QHAGAQJOLLMTFZ-UHFFFAOYSA-N 363.454 3.938 0 40 FHAB COc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)s2)cc1 224151410 HCIZZUGIOKRBQC-LLVKDONJSA-N 373.409 3.759 0 40 FHAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2CN(O)C[C@H]1C(=O)[C@@]2(C)CC[C@H]1C2(C)C 226334959 LBABUPQHIRDXKV-CVERSAMXSA-N 361.526 3.960 0 40 FHAB CC[C@H](C)[C@H](CO)NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1Cl 230211757 UMFHBWPJSNOYRN-XPTSAGLGSA-N 356.253 3.520 0 40 FHAB COc1ccc(C(=O)N[C@H]2CCCc3c2[nH]c2ccccc32)cc1OC 96232683 KNHNNQKRLUIPAV-KRWDZBQOSA-N 350.418 3.993 0 40 FHAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cccnc1O[C@H]1CCOC1 245070515 QNCJPTFEMGPSKM-ZDUSSCGKSA-N 353.205 3.808 0 40 FHAB CC(=O)NCc1cccc([C@H]2CCCN2C(=O)CCC2CCCCC2)n1 257251328 JQIJYSKTCZXLAM-HXUWFJFHSA-N 357.498 3.742 0 40 FHAB Cc1cccc(Nc2cc([C@@H]3CCCN3C(=O)c3cnc(C)nc3)ccn2)n1 257328916 XHPAGFFRBMOBPG-SFHVURJKSA-N 374.448 3.604 0 40 FHAB O=C(c1cnco1)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257300625 RVCSMNKKDLDXOU-HNNXBMFYSA-N 357.797 3.884 0 40 FHAB O=C(Cc1cccc2ccccc12)N1CCCSC[C@H]1CN1CCCC1 85473176 PLTCWVGHFHEZEQ-HXUWFJFHSA-N 368.546 3.812 0 40 FHAB c1ccc(C[C@H](N=c2ccc3nnc(-c4ccccc4)n3[nH]2)C2CC2)cc1 605697752 XWWDRUUQLQBXLN-IBGZPJMESA-N 355.445 3.646 0 40 FHAB NCC1(c2ccccc2)CCN(c2ccc3cc(Cl)cnc3n2)CC1 1164436044 WRFWWKUTZPFKTB-UHFFFAOYSA-N 352.869 3.780 0 40 FHAB Cc1cc(CNC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)n(C)n1 671227762 RRVFPINAGKCUGR-UHFFFAOYSA-N 371.444 3.511 0 40 FHAB CCN(CC)C(=O)CN(C)C(=O)Cc1coc2c(Cl)c(Cl)ccc12 1624405680 DLJSEHVCRWISOM-UHFFFAOYSA-N 371.264 3.609 0 40 FHAB CCn1nc(C(C)C)cc1C(=O)Nc1cc(NC(=O)C2CC2)ccc1C 611871831 GROIMRBBLCXMHT-UHFFFAOYSA-N 354.454 3.936 0 40 FHAB O=C(c1coc(-c2c(F)cccc2F)n1)N1CC2(CCOCC2)[C@H]1C1CC1 643352999 UYKZVBUXLUOCEY-QGZVFWFLSA-N 374.387 3.651 0 40 FHAB O=C(NCc1ccc(C(F)(F)F)cc1)N[C@H]1CCc2ccc(O)cc21 663525793 JIIMGFJEJMGWEM-INIZCTEOSA-N 350.340 3.898 0 40 FHAB O[C@@H]1[C@@H](NCCc2ccc(F)cc2)CCC[C@H]1Oc1cccc(Cl)c1 585289965 OXWPBDIXZPOORN-XUVXKRRUSA-N 363.860 3.972 0 40 FHAB COc1ccccc1OCCNC(=O)N[C@H]1CCSc2ccccc21 45112992 ZVXCHLAMHWHKIR-HNNXBMFYSA-N 358.463 3.610 0 40 FHAB Cc1ccc(CN2C[C@H](C(=O)NCc3ccc(C(C)C)cc3)CC2=O)cc1 1355467099 LEOCUGZBJDFUNI-OAQYLSRUSA-N 364.489 3.783 0 40 FHAB C[C@@H]1CN(C(=O)c2nc(-c3ccccc3)n3c2COCC3)[C@H]2CCCC[C@H]12 1553235110 DICMFQAIXWORHD-NXHRZFHOSA-N 365.477 3.731 0 40 FHAB c1ccc(-c2n[nH]c(CNc3ncnc4sc5c(c34)CCCC5)n2)cc1 58218621 HEMDFUNEDLLMJH-UHFFFAOYSA-N 362.462 3.967 0 40 FHAB c1cc2cc3c(cc2cc1C[C@H]1NCCc2cc4c(cc21)OCO4)OCO3 5121163 IGJNEBWJSQFDNV-GOSISDBHSA-N 361.397 3.727 0 40 FHAB C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2Cl)n1C 13069432 DQBUDXALMQNIHN-GFCCVEGCSA-N 364.902 3.629 0 40 FHAB CCOc1ccc2cc(CNc3cc(OC)ccc3OC)c(=O)[nH]c2c1 13561367 CTLBXFDNOUEOLS-UHFFFAOYSA-N 354.406 3.556 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1Cl 13685633 QWDNDZOIOJTZQL-ZDUSSCGKSA-N 360.841 3.886 0 40 FHAB O=C(Oc1ccc(F)cc1F)c1ccc(I)cc1 16158215 UWBQMMGFYGGLAQ-UHFFFAOYSA-N 360.097 3.789 0 40 FHAB Cc1ccc([C@H](NC(=O)c2c3c(nn2C)CCCC3)c2cccnc2)cc1 19136727 AHAPNINJPQTINM-FQEVSTJZSA-N 360.461 3.522 0 40 FHAB O=C(NCc1cccc(F)c1)c1cc(-c2cccnc2)c2cnccc2n1 19293916 HKAVKFANPLLPGS-UHFFFAOYSA-N 358.376 3.761 0 40 FHAB CN1CCN(CCOC(=O)N2c3ccccc3Sc3ccccc32)CC1 19364912 QYIHVVRJOZKQPA-UHFFFAOYSA-N 369.490 3.673 0 40 FHAB Cc1nn([C@H](C)CNC(=O)CCc2cn(C)c3ccccc23)c(C)c1C 19556267 FVCQBYSOWDLQTL-CQSZACIVSA-N 352.482 3.610 0 40 FHAB COc1ccc2[nH]c(CN(Cc3ccccn3)C[C@H]3CCCO3)cc2c1 19663019 YRHYJHIVYFAJGF-HXUWFJFHSA-N 351.450 3.753 0 40 FHAB COc1ccc(C2=N/C(=C/c3cccc(Br)c3)C(=O)O2)cc1 1511703 NBOSYSJCUOOKMY-XNTDXEJSSA-N 358.191 3.802 0 40 FHAB CCc1ncnc(OCC2CCN(c3cc(C4CCC4)ncn3)CC2)c1F 1888876217 MJMWKRMKKYDSRS-UHFFFAOYSA-N 371.460 3.531 0 40 FHAB c1ccc(-c2nc(CN3CCC(COc4cnccn4)CC3)cs2)cc1 1889199824 GTCBPHUCUKPOSH-UHFFFAOYSA-N 366.490 3.891 0 40 FHAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1cccc(-c2nnco2)c1 24740191 YQKBYQUDROULCB-UHFFFAOYSA-N 366.402 3.943 0 40 FHAB CCn1c(=O)c(C)nc2cc(C(=O)N[C@@H](c3ccccc3)C3CC3)ccc21 31039151 CEEFJVUZJYJYCX-FQEVSTJZSA-N 361.445 3.606 0 40 FHAB O=C(Cc1csc(Cc2ccccc2)n1)Nc1ccc2c(c1)OCO2 32913908 BXNVSRMUJFEDTL-UHFFFAOYSA-N 352.415 3.644 0 40 FHAB Cn1nc(-c2cccnc2)cc1CNC(=O)c1ccccc1SC(F)F 238820525 CNSJSCPJYXOLBY-UHFFFAOYSA-N 374.416 3.727 0 40 FHAB CCN(c1ccccc1F)S(=O)(=O)c1ccc(Br)cc1 50010920 MBQZLTUUHUPMPC-UHFFFAOYSA-N 358.232 3.803 0 40 FHAB CO[C@H]1CCC2(CCN(C(=O)CCc3ccc[nH]3)CC2)c2ccccc21 1565555259 DIBBKEZHWFVMLK-FQEVSTJZSA-N 352.478 3.989 0 40 FHAB CCSc1nnc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)s1 2277811 CACIMFREAFKQBY-UHFFFAOYSA-N 353.313 3.720 0 40 FHAB biogenic COc1cc([C@@H]2CC(=O)Nc3c2ccc2ccccc32)ccc1OCCO 4150884 JGYXSPOYRSZISO-SFHVURJKSA-N 363.413 3.694 0 40 FHAB COc1ccc(-c2nc(O)c3c(n2)Oc2c(cccc2OC)C3)c(OC)c1 6748443 FYTBXYRTLWHDCK-UHFFFAOYSA-N 366.373 3.572 0 40 FHAB O=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)Nc1ccc(F)cc1 7616022 VFBJJEYHGZLBDF-UHFFFAOYSA-N 373.387 3.841 0 40 FHAB O=C(NC[C@H]1CN(c2ccc(F)cc2)C(=O)O1)c1cccc2ccccc12 9070420 FBPWQTPKRIOQND-KRWDZBQOSA-N 364.376 3.734 0 40 FHAB COc1cc2nc(NC(=O)c3cc(-c4ccco4)on3)sc2cc1OC 36709496 LNEXQMYFBHIJJU-UHFFFAOYSA-N 371.374 3.814 0 40 FHAB COc1ccc(Nc2ncnc3c2cnn3-c2ccccc2C)cc1OC 35586167 GXZQWTHYUHFODW-UHFFFAOYSA-N 361.405 3.885 0 40 FHAB C[C@@H]1Nc2ncnn2[C@@H](c2cccc(Cl)c2)[C@H]1C(=O)Nc1ccccc1 36701532 YVELEDCTDYXBMH-ZLIFDBKOSA-N 367.840 3.590 0 40 FHAB C[C@H]1C[C@@H]1C(=O)NCC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1 23188261 BOMFBAHHHGUYGS-WFASDCNBSA-N 371.506 3.818 0 40 FHAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2cccnc2)o1 28200381 SOJPFLRAGWKULU-UHFFFAOYSA-N 358.401 3.766 0 40 FHAB CN(Cc1ccc2ccccc2c1)CN1C(=O)CN(c2ccccc2)C1=O 40149263 AIDDREHWQPDYON-UHFFFAOYSA-N 359.429 3.698 0 40 FHAB COc1ccc(C(=O)NCC(=O)NC2CCCCC2)cc1-c1ccccc1 50356512 WFHFEKUCMVYBKU-UHFFFAOYSA-N 366.461 3.541 0 40 FHAB CC(=O)Nc1cccc(C2=C[C@H](c3ccccc3Cl)n3ncnc3N2)c1 100834958 SNROAMZCWFLGEB-GOSISDBHSA-N 365.824 3.946 0 40 FHAB COC(=O)C1(NC(=O)CCCc2ncc(-c3ccccc3)o2)CCCCC1 31717520 WIXVSHGHLBHLCD-UHFFFAOYSA-N 370.449 3.656 0 40 FHAB Cc1nn(CC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c2c1[C@H]1[C@@H](C2)C1(C)C 2101478 NQHRPUQJUPOLDQ-RIELGZFVSA-N 355.526 3.914 0 40 FHAB Cc1cnc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)s1 20736797 YPIVZKOTYCUKBZ-VIFPVBQESA-N 370.261 3.750 0 40 FHAB CCOc1ccc(-c2nc(NC(=O)COc3ccc(Cl)cc3)no2)cc1 32623952 BWYWCUVCJOWYBR-UHFFFAOYSA-N 373.796 3.806 0 40 FHAB CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cc2)C1 59739940 PZAFVCDSIPQURP-LBPRGKRZSA-N 367.287 3.672 0 40 FHAB COc1ccc(CNC(=O)COc2cccc3ccccc23)cc1OC 6010617 CECDHZQDMVEVGU-UHFFFAOYSA-N 351.402 3.552 0 40 FHAB CCCN1C(=O)/C(=C\c2ccc(Br)cc2)C(C(=O)OC)=C1C 6654664 UONQLZZFIYKSTQ-UVTDQMKNSA-N 364.239 3.532 0 40 FHAB O=C(COCc1cc(-c2cccs2)on1)NCc1ccccc1Cl 6876564 GRHISTGMMXMLAY-UHFFFAOYSA-N 362.838 3.890 0 40 FHAB C[C@@H]1C[C@@H](OC(=O)c2ccc(-c3nc4ccccc4s3)s2)C(=O)O1 32736371 YJAFRGXJYNIBRD-MWLCHTKSSA-N 359.428 3.886 0 40 FHAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccccc2C)CC1=O 7609816 IBPDJENMCZJGIQ-ZDUSSCGKSA-N 358.825 3.649 0 40 FHAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(C)cc2)CC1=O 7881885 LHPXANKGGJTUGU-CYBMUJFWSA-N 358.825 3.649 0 40 FHAB Cc1cc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)on1 32870636 ALAYIESOPNRTMU-UHFFFAOYSA-N 361.195 3.936 0 40 FHAB Cc1nc(SCC(=O)Nc2ccc(Br)cc2)nc(C)c1C 2621315 NZGZIQDOJKPLST-UHFFFAOYSA-N 366.284 3.895 0 40 FHAB CCn1c(SCC(=O)N2CC[C@H]3CCCC[C@H]3C2)nnc1-c1ccco1 8159772 ORZFRHLONJLVPF-CABCVRRESA-N 374.510 3.689 0 40 FHAB O=C(NCc1ccc2c(c1)OCO2)c1cccc(OCc2cccs2)c1 32913933 CYDZZRMKKQKFRC-UHFFFAOYSA-N 367.426 3.986 0 40 FHAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)Cc1ccc(N2CCCC2=O)cc1 21837223 ISYLBBVFBOBWPK-HNNXBMFYSA-N 354.425 3.715 0 40 FHAB CC1CCN(CCCNC(=O)CSCc2ccc(Cl)cc2)CC1 10540276 ZJZGVVVLYKZTJF-UHFFFAOYSA-N 354.947 3.811 0 40 FHAB CCc1ccc(C(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)cc1 59294260 XRYZRHJOSKHRSI-UHFFFAOYSA-N 363.446 3.976 0 40 FHAB c1ccc(-n2nc(-c3n[nH]c(C4CCCCC4)n3)c(N3CCCC3)n2)cc1 33435935 NAVZCYIJDCSVQH-UHFFFAOYSA-N 363.469 3.700 0 40 FHAB O=C(Nc1cccc(COC[C@@H]2CCCCO2)c1)c1cn2ccccc2n1 46733313 KSXISNAZEBLQAY-SFHVURJKSA-N 365.433 3.672 0 40 FHAB CCn1ncc([C@@H](C)NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)c1C 2804048 SXJSGHGFXNXBDT-TZMCWYRMSA-N 358.486 3.841 0 40 FHAB Cc1[nH]c2ccccc2c1[C@@H](C(=O)O)N1CCN(c2ccc(F)cc2)CC1 12323190 GNCMVLXWNJGCCS-FQEVSTJZSA-N 367.424 3.563 0 40 FHAB O=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1ccc2[nH]nnc2c1 24148586 KNTBVWSNWCPZKK-UHFFFAOYSA-N 372.432 3.749 0 40 FHAB COCCN1C(=O)c2ccccc2N[C@H]1c1ccccc1OC(F)(F)F 25061048 QXIASQCONFMHSV-MRXNPFEDSA-N 366.339 3.798 0 40 FHAB O=C(NC(=S)Nc1cccc(Br)c1)c1cccc(F)c1 21596228 GXGONQVPVZKTEC-UHFFFAOYSA-N 353.216 3.715 0 40 FHAB Cc1ccc([C@H](C)N(C)C(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)s1 56092592 QEZFPYVZVHOJIK-BBRMVZONSA-N 360.454 3.768 0 40 FHAB Cc1cc([C@H]2CCCN2C(=O)[C@H]2CCCN(Cc3ccccc3)C2)no1 57154925 MLWJYMKFAJQRJS-AZUAARDMSA-N 353.466 3.559 0 40 FHAB CCS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 29509349 ZUCPJRYEPUFHNI-UHFFFAOYSA-N 372.368 3.719 0 40 FHAB CC(=O)N1CCc2cc(C(=O)Nc3cccc(Br)c3)ccc21 28092317 LCDVLXBTPQWDNI-UHFFFAOYSA-N 359.223 3.610 0 40 FHAB C[S@](=O)c1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1 27379509 NZDCLMXVRSRHHE-QWXGXRTQSA-N 368.458 3.585 0 40 FHAB CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 22511228 NFVCKJQRJSBYBG-UHFFFAOYSA-N 366.870 3.527 0 40 FHAB COC(=O)c1cc(NCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)ccc1F 58010727 NIMCVGJEKMDJQE-AWEZNQCLSA-N 358.413 3.518 0 40 FHAB Cc1cc(NC(=O)[C@H](OC(=O)c2sccc2C)c2ccccc2)no1 12684465 XSOPJOHCBNQJPT-OAHLLOKOSA-N 356.403 3.890 0 40 FHAB Cc1ccc(CN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)C(C)C)o1 58202932 MVFOYKOXHFVWNE-KRWDZBQOSA-N 358.463 3.828 0 40 FHAB O=C(O)c1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCC4)cc1 27750500 CFRQEAHWHYXLIJ-UHFFFAOYSA-N 358.444 3.687 0 40 FHAB C[C@H](Nc1cccc(Br)c1)C(=O)Nc1ccc2c(c1)OCO2 3327906 TXOHWQLADCRVNM-JTQLQIEISA-N 363.211 3.617 0 40 FHAB O=C1C[C@@H](N(O)c2ccccc2)C(=O)N1c1ccc(Cl)c(Cl)c1 2259987 POGWPEBLHVDLIE-CQSZACIVSA-N 351.189 3.521 0 40 FHAB Cc1nc(N2CCCC2)c2sc3nc4c(cc3c2n1)COC(C)(C)C4 2283080 YHMFULNRGUAUAW-UHFFFAOYSA-N 354.479 3.999 0 40 FHAB Cc1ccc(C)c(C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 3318592 FCMGZHGKLALQEI-UHFFFAOYSA-N 368.458 3.837 0 40 FHAB COc1ccccc1[C@H](O)[P@](=O)(OC(C)C)c1ccc(N(C)C)cc1 2375277 JTBVPPFEPDCPLN-KBMIEXCESA-N 363.394 3.781 0 40 FHAB Cc1cc([C@@H]2CCCN2C(=O)Cc2csc(Cc3ccccc3)n2)on1 48261052 BXEYEQBKUWIUCD-KRWDZBQOSA-N 367.474 3.937 0 40 FHAB O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)Nc1cccc(F)c1 3482111 NGSPUMFUCLLNDY-UHFFFAOYSA-N 364.376 3.658 0 40 FHAB Cc1cc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(C)o1 12942099 MPZSIKUEEWBYJG-UHFFFAOYSA-N 366.383 3.873 0 40 FHAB Fc1ccccc1OCCCNCc1c[nH]nc1-c1ccc2c(c1)OCO2 48685326 FLIBAMGUQTYLPC-UHFFFAOYSA-N 369.396 3.503 0 40 FHAB Cc1sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)nc1-c1ccccc1 3900031 HJTPEEIPSKHVBJ-QPSCCSFWSA-N 354.431 3.580 0 40 FHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cccnc1Cl 6047310 STNPSGFUDYYQLF-VNHYZAJKSA-N 353.846 3.896 0 40 FHAB CCOc1ccccc1NC(=O)c1nnn(-c2ccc(C)c(F)c2)c1C 4484185 XTIAKXDPEVECEC-UHFFFAOYSA-N 354.385 3.674 0 40 FHAB Cc1ccc(-c2n[nH]c(S[C@@H](C(=O)N(C)C)c3ccccc3)n2)cc1 6843708 RSONJVCQMFVIOI-MRXNPFEDSA-N 352.463 3.702 0 40 FHAB O=C(CCCOc1ccc(Cl)cc1Cl)NCCc1ccccn1 6847917 TWWAZEMXZJKEHB-UHFFFAOYSA-N 353.249 3.906 0 40 FHAB CSc1nnc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)s1 5872438 HLGQTQIKQSJLPJ-IUCAKERBSA-N 357.501 3.757 0 40 FHAB FC(F)c1nnc2ccc(Sc3nnc(C4CCCCC4)o3)nn12 92583253 IQTWERMORRQDEA-UHFFFAOYSA-N 352.370 3.644 0 40 FHAB Cc1ccc([C@H](CNC(=O)COc2ccccc2C)N2CCCCC2)o1 15860178 NHIJPKHKKYTZRX-SFHVURJKSA-N 356.466 3.619 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 15992948 FBMVQZPNEIUYKC-PBHICJAKSA-N 361.463 3.562 0 40 FHAB O=C(COC(=O)c1ccc(F)cc1Cl)NCc1cccc(Cl)c1 7656281 QQQBBTINLKPULI-UHFFFAOYSA-N 356.180 3.606 0 40 FHAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1cc(F)cc(F)c1 9654423 PJXZGEKIJLPGIL-UHFFFAOYSA-N 359.250 3.779 0 40 FHAB O=C(Nc1cccc2[nH]ccc12)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1 72400637 ZEKWHYCPUFOYPR-AWEZNQCLSA-N 367.836 3.809 0 40 FHAB C[C@H](CC(=O)Nc1ccccc1)NCc1ccnc(N2CCCCC2)c1 95352960 GXIHQKXRILFWJN-QGZVFWFLSA-N 352.482 3.579 0 40 FHAB COCCNC(=S)c1ccc(OCc2ccccc2Cl)c(OC)c1 408577684 UILVFRNAEWQEOA-UHFFFAOYSA-N 365.882 3.839 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1Cl 408586229 MRNMFDFVNFAHIM-UHFFFAOYSA-N 353.827 3.742 0 40 FHAB Cn1c(C(C)(C)C)nc2cc(N[C@H]3CCCC[C@@H]3S(C)(=O)=O)ccc21 180063029 IXQORAOOLVRZCD-YOEHRIQHSA-N 363.527 3.639 0 40 FHAB Cn1c(Cn2nnc3ccccc32)nnc1SCc1ccc(Cl)cc1 34791409 JUDXZPIPBBZLBQ-UHFFFAOYSA-N 370.869 3.554 0 40 FHAB Brc1ccc2c(c1)[C@@H]1C[C@@](C3CC3)(N=C3SCCN31)O2 71784921 PUDAPTHGMDVUBR-SWLSCSKDSA-N 351.269 3.797 0 40 FHAB CCc1ccccc1NC(=O)CSCc1cc(=O)c2ccccc2[nH]1 33063942 AYMHSRSZYJNNIF-UHFFFAOYSA-N 352.459 3.962 0 40 FHAB Cc1ccnn1CCNc1nc(-c2cccs2)cc(C(F)(F)F)n1 36618672 AMYKVNAGORBGPZ-UHFFFAOYSA-N 353.373 3.841 0 40 FHAB Cc1cccc(-c2cncc([C@@H]3CCCN(C(=O)Cc4cccnc4)C3)n2)c1 72359572 SKNFZSFGWMSXBQ-HXUWFJFHSA-N 372.472 3.796 0 40 FHAB Cc1cccc2sc(C(=O)NCC(C)(C)N3CCOCC3)c(Cl)c12 32906846 KFCYLSWOCDNVOR-UHFFFAOYSA-N 366.914 3.704 0 40 FHAB CC(C)[C@@H](CNC(=O)c1ccc2ncn(C)c2n1)c1ccc(Cl)cc1 1568716787 QQKPUTZCJXTNJJ-OAHLLOKOSA-N 356.857 3.791 0 40 FHAB Cc1ccccc1CN(C(=O)Cc1ccccc1)[C@H](C)C(=O)NC(C)(C)C 222676185 KXEQOSLNOVDGPC-GOSISDBHSA-N 366.505 3.870 0 40 FHAB CCOc1ccc2c(c1)OC1(CCN(C(=O)c3ccccc3)CC1)CC2=O 225820595 JKOXJSMNLJFLJG-UHFFFAOYSA-N 365.429 3.726 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 223088747 RPEWCTKALOPQSW-NRFANRHFSA-N 366.505 3.789 0 40 FHAB COc1ccc(CN(C)S(=O)(=O)c2cc(C(C)C)ccc2OC)cc1 223011486 HUACNHVLCWVPLK-UHFFFAOYSA-N 363.479 3.648 0 40 FHAB Cc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)cc1Cl 222472029 SWCHRFJIKKTOAB-UHFFFAOYSA-N 366.870 3.605 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=S)NCc2ccc(OC)cc2)c1 225314419 APWLVZJLYKIAMJ-UHFFFAOYSA-N 364.854 3.622 0 40 FHAB Cc1nc(NC(=S)NCc2cccnc2)c(Br)cc1Cl 223937299 KHZZMTMIILBDKZ-UHFFFAOYSA-N 371.691 3.688 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)Cn1ccc(=O)c2ccc(Cl)cc21 225737069 NYWLHNLGILSINK-OAHLLOKOSA-N 368.864 3.792 0 40 FHAB O=C1C[C@H](c2ccncc2)c2c(c(C(=O)O)cn2-c2ccc(Cl)cc2)N1 49549934 OPPIYVYCBYVEQZ-CQSZACIVSA-N 367.792 3.698 0 40 FHAB S=C(NCc1ccco1)Nc1ccc(N2CCc3ccccc3C2)nc1 223902523 RBTMHQVZFJBLKD-UHFFFAOYSA-N 364.474 3.724 0 40 FHAB CN(C)C(=O)C[C@H]1CC2(CCN(C(=O)CC(C)(C)C)CC2)c2ccccc21 96242065 LVLSACFHFWBMRX-KRWDZBQOSA-N 370.537 3.949 0 40 FHAB CS(=O)(=O)N1N=C(c2ccc(Cl)c(F)c2)C[C@H]1c1cccs1 96118920 IQDPJDBUSSHSSS-ZDUSSCGKSA-N 358.847 3.651 0 40 FHAB CCCn1c(C)c(C(=O)N2CC[C@H](OC(F)F)C2)c2cc(OC)ccc21 585080594 FBLLZLUWJVXAOX-AWEZNQCLSA-N 366.408 3.822 0 40 FHAB O=C(c1ccc2ncccc2c1)N1CCC[C@@H](c2ccc3cn[nH]c3n2)C1 257307478 SYTZIZBOIZSNPH-QGZVFWFLSA-N 357.417 3.526 0 40 FHAB O=C(c1cc(-c2ccco2)n[nH]1)N1CC[C@@H](Oc2cccc3cccnc23)C1 252507589 WOWOAEHLGINEIE-OAHLLOKOSA-N 374.400 3.511 0 40 FHAB O=C(Cc1ccc(O)cc1)NC1(c2cccc(OC(F)(F)F)c2)CC1 585090862 SKXKEBWRMYOIGL-UHFFFAOYSA-N 351.324 3.639 0 40 FHAB O=C(Nc1cccnc1-n1cccn1)c1ccc(Oc2cccnc2)cc1 67922219 JACSEAOVNGUVEW-UHFFFAOYSA-N 357.373 3.707 0 40 FHAB CCCCCC(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 169337285 ROECGAWNHRGIRN-GWKIZSTFSA-N 364.482 3.539 0 40 FHAB biogenic O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccnc2ccncc12 75105563 YLTGTRQOLRODAD-UHFFFAOYSA-N 362.364 3.995 0 40 FHAB O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)N1CCOCC1 836626 LWYNBPVUYOCNPX-SOFGYWHQSA-N 362.223 3.581 0 40 FHAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2c(F)cccc2F)CC1 5140329 ZNNWBZQDVBWOKD-UHFFFAOYSA-N 350.796 3.889 0 40 FHAB COc1ccccc1N1CCN(C(=O)[C@@H](C)Sc2ccccc2)CC1 5423264 RVLFVDOGJHKRJA-MRXNPFEDSA-N 356.491 3.525 0 40 FHAB Cc1ccc(F)cc1NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 5688184 BPHVGPYNPGFBHH-UHFFFAOYSA-N 367.376 3.747 0 40 FHAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)C1=COCCO1 12521916 XCLUOMKGJAQCAB-UHFFFAOYSA-N 356.344 3.522 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=O)Cn2cc(C=O)c3ccccc32)c1 14137350 ZLVYSTBDEWOWKJ-UHFFFAOYSA-N 370.792 3.533 0 40 FHAB COc1ccc(Nc2nc(NCc3ccccc3)nc3c2cnn3C)cc1 17148976 MWZNYPXVQNXGAM-UHFFFAOYSA-N 360.421 3.728 0 40 FHAB Cn1nc(C(=O)N[C@@H]2CCOc3ccccc32)cc1-c1ccc(Cl)cc1 19660454 OWFKZFDELOHRKG-MRXNPFEDSA-N 367.836 3.994 0 40 FHAB CCC(=O)N1CCC[C@@H]1c1cc(C(F)(F)F)c2c(NC(C)C)n[nH]c2n1 19742543 HRIVEMCMNMRSCQ-GFCCVEGCSA-N 369.391 3.871 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)NC2(CCCCCCC2)C1=O 3611003 SLTLRFGVUPFEJO-UHFFFAOYSA-N 367.449 3.694 0 40 FHAB COC(=O)C[C@@H](NC(=O)Cc1ccc2c(c1)CCCC2)c1ccc(C)cc1 24490811 FTPICJLBHGAFKR-OAQYLSRUSA-N 365.473 3.837 0 40 FHAB COc1ccccc1CCNC(=O)N[C@H](c1ccccc1)c1ccccn1 29324346 RUTMUMIRCZRAGU-OAQYLSRUSA-N 361.445 3.722 0 40 FHAB Cc1ccc(N2C[C@@H](NC(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 4360009 ASMFRUQIINBYDH-AWEZNQCLSA-N 357.841 3.884 0 40 FHAB COc1ccc(C(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)cc1 4305007 ZBRAZSSUZUUNKU-HXUWFJFHSA-N 362.429 3.822 0 40 FHAB CCOc1ccc(S(=O)(=O)n2nc(C)c(Cl)c2C)c2ccccc12 4727050 QSVOTWVSHUMLJU-UHFFFAOYSA-N 364.854 3.942 0 40 FHAB CCn1ccnc1N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 11695635 VJXQUZCHJCTMSA-UHFFFAOYSA-N 360.461 3.532 0 40 FHAB Cc1csc(NC(=O)CSc2nc(-c3ccccc3)c(N)s2)n1 11693809 JHVZYXYGGQTMGR-UHFFFAOYSA-N 362.505 3.888 0 40 FHAB O=C(/C=C\c1ccc2c(c1)OCO2)NCc1cc(-c2ccc(F)cc2)on1 11613453 VJFWZXCIZCNBPE-WAPJZHGLSA-N 366.348 3.539 0 40 FHAB COc1ccc(C)cc1NC(=O)c1cc(=O)c(OCc2ccccc2)co1 11856585 QACVURXMPCJPMB-UHFFFAOYSA-N 365.385 3.788 0 40 FHAB COc1cccc([C@H]2CC(=O)Nc3[nH]ncc32)c1OCc1ccc(F)cc1 15083319 UYHRVWVBQVZNKA-OAHLLOKOSA-N 367.380 3.611 0 40 FHAB Cc1cnn(CCN2CCC(c3ccc4cc(Cl)cnc4n3)CC2)c1 2086894045 VKPXBNFZHDUTDG-UHFFFAOYSA-N 355.873 3.668 0 40 FHAB O=C(Cc1cccc(C(F)(F)F)c1)NCc1nccnc1-c1ccoc1 575619201 AWQKTPCXUYMAAS-UHFFFAOYSA-N 361.323 3.614 0 40 FHAB CCOC(=O)[C@@H](C)Sc1ncnc2c1cnn2-c1ccc(Cl)cc1 4341669 UIWPAJNHYLTDKX-SNVBAGLBSA-N 362.842 3.513 0 40 FHAB O=C(N[C@H]1CCCc2ccccc21)c1cccc(NC(=O)[C@H]2CCCO2)c1 24604294 VUCWXLWQBDVLPZ-VQTJNVASSA-N 364.445 3.612 0 40 FHAB Cc1c([C@@H](C)NC(=O)c2cccc3cn[nH]c23)cnn1-c1ccc(F)cc1 40080604 UKWRZMHZRZUAAQ-GFCCVEGCSA-N 363.396 3.687 0 40 FHAB CN1CCc2c(sc3[nH]c(=S)n(-c4ccc(Cl)cc4)c(=O)c23)C1 20267521 ANKAXRSJJMGMQO-UHFFFAOYSA-N 363.895 3.751 0 40 FHAB C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 31214258 ZWIVDRXHBWNMNV-AWEZNQCLSA-N 368.868 3.735 0 40 FHAB Oc1ccc(-n2nnnc2SCCOc2ccc3ccccc3c2)cc1 29028397 BBACMWHWIQQBBR-UHFFFAOYSA-N 364.430 3.692 0 40 FHAB Cc1ccc(-c2nnc(Cl)c3ccccc23)cc1S(=O)(=O)N(C)C 2522297 IRSFBMWPRLKOHI-UHFFFAOYSA-N 361.854 3.509 0 40 FHAB Cc1cc(Br)ccc1NC(=O)Cn1nc(C(F)F)cc1C 676235 RULWFVAEHJHAHC-UHFFFAOYSA-N 358.186 3.839 0 40 FHAB O=C(OCC(=O)N1CCCc2ccccc21)c1cc(F)c(F)cc1Cl 4847084 DFXGAVPUZIOLAS-UHFFFAOYSA-N 365.763 3.754 0 40 FHAB COc1ccc(NC(=O)COc2cccc3c2CCC[C@@H]3O)cc1Cl 32691471 RIBWNTYVQOOJDA-INIZCTEOSA-N 361.825 3.736 0 40 FHAB CCn1nnc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)n1 6356724 ZYSDXUREDJKZPW-UHFFFAOYSA-N 352.181 3.512 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1 7644022 RXGBAGRKDAWCMP-UHFFFAOYSA-N 362.429 3.997 0 40 FHAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)CCC(=O)c2cccs2)cc1 2639973 IWGGIZQADGADFO-CYBMUJFWSA-N 359.447 3.844 0 40 FHAB COc1ccccc1C(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 32817321 ZBVQAMWQJHHZII-UHFFFAOYSA-N 359.447 3.664 0 40 FHAB CC(=O)N1CCC(C(=O)Nc2cccc(OCCc3ccccc3)c2)CC1 55678919 IGHPABQFAPFVMC-UHFFFAOYSA-N 366.461 3.505 0 40 FHAB CC(=O)Nc1cc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)ccc1F 53761841 JNSBGMKDJOQGLV-UHFFFAOYSA-N 356.184 3.925 0 40 FHAB COc1cc(N[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)c(OC)cc1Cl 5937276 QXCREYCAKAGJPB-JHJVBQTASA-N 354.878 3.662 0 40 FHAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCO3)c2C(N)=O)C1 2742522 IZFRUQUJFVCGJO-AAEUAGOBSA-N 364.511 3.506 0 40 FHAB COc1ccc(-c2cc(C(=O)N(C)c3cccc(C)c3)n[nH]2)c(OC)c1 57413120 LPQPMHABOIRFRR-UHFFFAOYSA-N 351.406 3.679 0 40 FHAB CCOC(=O)Nc1cccc(Oc2ccc3nnc(C(F)(F)F)n3n2)c1 21970174 DNQOTBQAZQYSIJ-UHFFFAOYSA-N 367.287 3.504 0 40 FHAB CCOC(=O)c1c(NC(=O)C2CC2)sc(C(=O)OC(C)(C)C)c1C 2749104 DQFXWBQKQDOPIA-UHFFFAOYSA-N 353.440 3.537 0 40 FHAB Fc1cccc([C@@H]2C=C(c3cccnc3)Nc3nc(C(F)(F)F)nn32)c1 103265314 KVTMCUPMDADCMF-AWEZNQCLSA-N 361.302 3.887 0 40 FHAB C[C@H](NC(=O)/C=C/c1ccc(Cl)s1)c1ccc(-n2cncn2)cc1 22324750 BVYRXANXAHWOLL-CRALRDPISA-N 358.854 3.873 0 40 FHAB Cc1cc(C)cc(OCCN(C)[C@H](C)c2nc3ccccc3c(=O)[nH]2)c1 57273625 VDZPNYCZYUEWKC-MRXNPFEDSA-N 351.450 3.612 0 40 FHAB COc1ccccc1CCC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 12409787 RSLYWURRWMKTLZ-UHFFFAOYSA-N 352.409 3.833 0 40 FHAB CCOc1ccc(N2C[C@@H](C(=O)Nc3c(C)cccc3C)CC2=O)cc1 806777 GFZPKDNNODYXCD-INIZCTEOSA-N 352.434 3.694 0 40 FHAB O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1nc[nH]n1 23141277 WTAMMWAQWYIPBN-UHFFFAOYSA-N 359.389 3.698 0 40 FHAB C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)c1ccccc1 3007773 MSKRBBHGFCQTRQ-OCCSQVGLSA-N 360.816 3.709 0 40 FHAB Cc1ccc(C)c(NC(=O)CSc2nnc(Cc3ccccc3)n2C)c1 976817 QQBDTFHFFVYUPI-UHFFFAOYSA-N 366.490 3.754 0 40 FHAB CC(C)[C@H](NC(=O)Nc1c(F)cccc1F)c1nc(-c2cccnc2)no1 104973507 LFYQQTHQPRTABB-AWEZNQCLSA-N 373.363 3.929 0 40 FHAB CN(CCCNc1cnn(C(C)(C)C)c(=O)c1Cl)Cc1ccccc1 70038057 TXCRDRBEESMRNY-UHFFFAOYSA-N 362.905 3.586 0 40 FHAB CCOc1cc2c(cc1CNc1nccc(C(F)(F)F)n1)O[C@H](C)C2 24054751 RLQCZXFJERSWFK-SNVBAGLBSA-N 353.344 3.830 0 40 FHAB Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)Nc1cc(Cl)ccc1O 28237217 JDOFPECCMADFHM-QMMMGPOBSA-N 361.751 3.844 0 40 FHAB NC(=O)c1ccccc1NCC(=O)Nc1c(Cl)cccc1C(F)(F)F 24041041 FMWFCVDHVGLHFB-UHFFFAOYSA-N 371.746 3.508 0 40 FHAB O=c1[nH]c2ccccc2n1CCCSCc1nc(-c2cccs2)no1 24843727 CHFOJTNIFSLMSS-UHFFFAOYSA-N 372.475 3.765 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc2ccccc2cc1O 3274915 ZGYNKBCBJGEXGX-CQSZACIVSA-N 361.397 3.680 0 40 FHAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)CCc1nc2ccccc2s1 3271064 NZBLJBULBDTOEV-KBPBESRZSA-N 360.479 3.562 0 40 FHAB O=C(C[C@@H]1C=CCC1)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1 44751811 TXRYGDDFXDAPDS-CQSZACIVSA-N 369.852 3.960 0 40 FHAB COc1ccccc1OCCNC(=O)Cc1ccc(Cl)c(Cl)c1 3353000 CDLPLAGXBHTCTO-UHFFFAOYSA-N 354.233 3.740 0 40 FHAB Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1 10428549 CFWFFMZLULKXHP-UHFFFAOYSA-N 373.460 3.947 0 40 FHAB COc1cn(-c2ccccc2)nc1C(=O)N(C)[C@H](C)c1ccc(F)cc1 58408509 KODSVNJTAYEQMV-CQSZACIVSA-N 353.397 3.853 0 40 FHAB Cc1ccc(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1 58434323 CAEOZDHECXGPIH-UHFFFAOYSA-N 350.340 3.901 0 40 FHAB COc1ccc(-c2nc(C(=O)Nc3ncc(C)s3)cs2)cc1OC 10626524 QCADBGQGKAQODU-UHFFFAOYSA-N 361.448 3.845 0 40 FHAB O=C(Cc1csc(-c2ccccc2F)n1)Nc1nnc(C2CC2)s1 36365481 KNNCBVTUIMUNOW-UHFFFAOYSA-N 360.439 3.859 0 40 FHAB Cc1cc(C)cc(NC(=O)CCC(=O)Nc2nnc(CC(C)C)s2)c1 2344566 ZYDKQFGVWVWYNA-UHFFFAOYSA-N 360.483 3.711 0 40 FHAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccc(C)c(C)c2)cc1 2333790 UGCJYEWFOHNRQH-UHFFFAOYSA-N 373.456 3.620 0 40 FHAB Cc1ccccc1OCCN(C)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 11077763 CZUSYHVDEFFBJF-CQSZACIVSA-N 370.474 3.579 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2)N1C[C@@H]1CCCO1 2407125 QPBLXBQJFPSLGA-HNAYVOBHSA-N 361.397 3.517 0 40 FHAB Cc1nc2nc(=S)n(CN3CCC[C@@H]3c3ccccc3)n2c(C)c1C 48343193 PGCBHJOFONDVIE-QGZVFWFLSA-N 353.495 3.980 0 40 FHAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3sccc3C3CC3)C2)nc1 67205202 BXASTGHZSWGBNL-HNNXBMFYSA-N 369.490 3.820 0 40 FHAB CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1OC 7109378 ROUORSPNNZYUBL-UHFFFAOYSA-N 361.463 3.774 0 40 FHAB CCCCNC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 4084674 IUPORXFZZVYHHA-PZJWPPBQSA-N 373.456 3.554 0 40 FHAB biogenic C[C@H]1CN(Cc2ccn(-c3cccc(F)c3)n2)C[C@H](c2ccccc2)O1 64557914 IBKZXKUXGOFREK-HRAATJIYSA-N 351.425 3.973 0 40 FHAB O=C(Nc1ccc2nsnc2c1)c1cc(=O)c2cc(Cl)ccc2o1 15841366 LRBUFPJENJASAA-UHFFFAOYSA-N 357.778 3.703 0 40 FHAB CCOc1ccc(-c2nnc3n2N=C(c2ccc(F)cc2)CS3)cc1 5093349 CWNMOFYJPBDHFO-UHFFFAOYSA-N 354.410 3.841 0 40 FHAB O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1cccc(F)c1F 68140352 MPXSOSBKJKWGAR-UHFFFAOYSA-N 363.751 3.641 0 40 FHAB CC1CCN(C(=O)c2ccc(Cn3cc(Br)cn3)cc2)CC1 27969995 WZETWXZZMYHFQU-UHFFFAOYSA-N 362.271 3.566 0 40 FHAB COC(=O)c1cc(/C=C/C(=O)N(Cc2ccc(OC)cc2)C2CC2)oc1C 14094759 MJYBYGRWRHPLIQ-ZHACJKMWSA-N 369.417 3.588 0 40 FHAB O=C1NCCCC[C@H]1Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 14182828 ZVIWCEYORKMUJL-MRXNPFEDSA-N 367.478 3.522 0 40 FHAB Cc1cccc(OCCCN2C(=O)N[C@]3(CCCc4sccc43)C2=O)c1 14242944 RMIBLORARDERKU-FQEVSTJZSA-N 370.474 3.609 0 40 FHAB O=C(Nc1ccc(Br)c(Cl)c1)[C@H]1CCCC[C@H]1C(=O)O 4698671 BRNUHOSGBYYTJJ-VHSXEESVSA-N 360.635 3.932 0 40 FHAB CCN1CCC[C@@H]1CNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 7960765 KGASUGDVMKMWAM-MRXNPFEDSA-N 368.506 3.610 0 40 FHAB Cc1[nH]c2ccc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2c1C 6662275 PHFNHMDFUMUCEJ-UHFFFAOYSA-N 374.444 3.835 0 40 FHAB Cc1ccc(C(=O)c2cc3c(cc2NC(=O)c2ccco2)OCCO3)cc1 4703794 USFNABIPUZJNLT-UHFFFAOYSA-N 363.369 3.843 0 40 FHAB COc1ccccc1S(=O)(=O)Nc1cc(C)nn1-c1cc(C)cc(C)c1 66248269 KCDQQFSCWMPFDM-UHFFFAOYSA-N 371.462 3.607 0 40 FHAB O=C(Cc1ccccc1)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O 5602842 GHTWSBWGPNABRG-UHFFFAOYSA-N 356.381 3.668 0 40 FHAB COc1ccc(NC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2C)cn1 8077955 GNALJWSOEOSFDH-UHFFFAOYSA-N 350.422 3.513 0 40 FHAB CCC(=O)N1c2ncnn2[C@@H](c2ccc(OC)cc2)C[C@H]1c1ccccc1 4816728 UEEUOSYDHGGHLW-RBUKOAKNSA-N 362.433 3.764 0 40 FHAB COc1ccccc1-c1noc(CSc2nc(-c3cccs3)n[nH]2)n1 6880903 XMWBNBFVOJGLJI-UHFFFAOYSA-N 371.447 3.884 0 40 FHAB COc1ccc(OC)c(CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1 63765033 FPUOQYZDMMCSCL-UHFFFAOYSA-N 371.458 3.678 0 40 FHAB C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1cccc2nsnc12 19080130 IMFAPLKFACEYEQ-CYBMUJFWSA-N 373.503 3.681 0 40 FHAB O=C(COC(=O)c1ccccc1Cl)N[C@@H](c1ccccc1)c1ccco1 9883560 MVNKCVMIEPJQLP-IBGZPJMESA-N 369.804 3.996 0 40 FHAB COc1ccccc1C(=O)Nc1cccnc1Oc1ccc2c(c1)OCO2 71283154 IADJMECFWAWWOF-UHFFFAOYSA-N 364.357 3.864 0 40 FHAB COc1cc([C@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCCC2)ccc1O 71283233 ISAZIPSXHWJYHO-CQSZACIVSA-N 371.437 3.910 0 40 FHAB COc1ccccc1OCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 9335695 FQNXYAGLEQUCDG-UHFFFAOYSA-N 355.390 3.754 0 40 FHAB O=C(NCCc1csc(-c2ccccn2)n1)c1ccc(F)c(F)c1F 19942339 KGAQSDIIQCHTOG-UHFFFAOYSA-N 363.364 3.595 0 40 FHAB CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2cncc(Br)c2)C1(C)C 72310287 DJYQAHVTKOTCFM-HUUCEWRRSA-N 369.303 3.900 0 40 FHAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1c2ccccc2SC[C@@H]1C 79048519 YNVNPSDWVNIOGM-LBPRGKRZSA-N 365.524 3.770 0 40 FHAB CCCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 408546741 USFJUWMREUKADS-UHFFFAOYSA-N 360.479 3.716 0 40 FHAB O=C(NO[C@H]1CCCCO1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 60333191 GXJQFNOGFMGOAA-PMACEKPBSA-N 365.433 3.568 0 40 FHAB COc1ccc(CC(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)cc1 32611729 AZTLFHOEIHJIDE-UHFFFAOYSA-N 373.815 3.914 0 40 FHAB COC(=O)c1cccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 39749948 JFYXRFGZCXKLSL-UHFFFAOYSA-N 366.461 3.632 0 40 FHAB Cc1ccc(=Nc2cccc(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c2)[nH]n1 522984684 GXKFBAYORMCQCN-DRMAHVMPSA-N 350.466 3.505 0 40 FHAB Fc1cccc(CN2CCC[C@H](c3nnc(-c4cccnc4)o3)C2)c1F 72389997 ARSJRGNFGPCZRP-HNNXBMFYSA-N 356.376 3.789 0 40 FHAB COc1ccc(C(=O)N2CCC[C@H](c3oncc3-c3cc(C)no3)C2)cc1 72342355 PXMWUWVKQJUDLL-HNNXBMFYSA-N 367.405 3.666 0 40 FHAB Cc1nc(C)c(C(=O)N2CCC(c3nnc(-c4ccco4)s3)CC2)s1 49363057 QWKQPGCTLHVHEZ-UHFFFAOYSA-N 374.491 3.891 0 40 FHAB NC(=O)c1cc(Br)c2[nH]c(-c3ccccc3Cl)nc2c1 216921279 QHVKOJBTDGCPTC-UHFFFAOYSA-N 350.603 3.745 0 40 FHAB COc1ccc([C@H](C)NC(=O)c2cn[nH]c2-c2cccc(OC)c2)cc1 72329254 AUVCNMAGPOMWGH-ZDUSSCGKSA-N 351.406 3.585 0 40 FHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCC1(c2ccccc2)CCOCC1 225808071 IWZLGTFZQYIFSX-MRXNPFEDSA-N 373.880 3.972 0 40 FHAB COCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)c(C)n1 225885032 JDSLQQUJQIKNKL-UHFFFAOYSA-N 366.502 3.831 0 40 FHAB CCOc1cc(CNC(=O)COc2ccc3c(c2)CCCC3)ccc1OC 223465344 OWLZMBGCSQUSGI-UHFFFAOYSA-N 369.461 3.668 0 40 FHAB S=C(NCC1(c2ccc(Cl)cc2)CCOCC1)Nc1ccccn1 224014609 DTFTWNVZXAJBOV-UHFFFAOYSA-N 361.898 3.770 0 40 FHAB CCOC(=O)c1cc(NC(=O)C(C)(C)Br)ccc1OC(C)C 225786426 COPVFRQBXFSYFG-UHFFFAOYSA-N 372.259 3.763 0 40 FHAB CC(C)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225675221 BVHQXZYXPKFOJL-UHFFFAOYSA-N 362.476 3.524 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=S)NCCCc2ccco2)c1 225805189 ADWLOSNMNDPWEZ-UHFFFAOYSA-N 352.843 3.639 0 40 FHAB COc1cccc(-c2noc(CCC(=O)NCc3ccc(Cl)cc3)n2)c1 41185257 QLFFJFSSHKMYEJ-UHFFFAOYSA-N 371.824 3.648 0 40 FHAB C[C@@H]1CCCN(C[C@@H](O)COCC(c2ccccc2)c2ccccc2)C1 226170668 XNXJVORMCRDQEW-DENIHFKCSA-N 353.506 3.928 0 40 FHAB O=C(NCc1ccc(Oc2nccs2)cc1)c1ccc2nsnc2c1 225646996 TVBBRUXPMCILQD-UHFFFAOYSA-N 368.443 3.870 0 40 FHAB CC(C)CCC(=O)N1CC[C@]2(COCc3cnc(-c4ccccc4)nc32)C1 96244390 AMMUSIACZKNXJB-JOCHJYFZSA-N 365.477 3.580 0 40 FHAB C[C@H]1NCC[C@H]1C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 580711526 GQCDLXXZVSIEGI-QMTHXVAHSA-N 369.412 3.689 0 40 FHAB COC(=O)c1nc(NC(=O)Cc2csc(-c3ccccc3)n2)sc1C 96118504 QXVLBMWUIOZGAP-UHFFFAOYSA-N 373.459 3.543 0 40 FHAB COC[C@H]1CN(Cc2ccco2)CC12CCN(Cc1cccc(F)c1)CC2 247828283 GNIWCQCFRPACOW-LJQANCHMSA-N 372.484 3.779 0 40 FHAB COc1cccc(Cc2cnc(C3(C)CCN(C(=O)C4CCC4)CC3)o2)c1 257235699 GYZAOVNYTQFMHN-UHFFFAOYSA-N 368.477 3.954 0 40 FHAB CN(C)Cc1cc([C@H]2CC[C@H](CN(C)C(=O)[C@H]3CC=CCC3)CC2)nn1C 257297038 RFNKGEGOGLAGJD-FHWLQOOXSA-N 372.557 3.570 0 40 FHAB Cc1cc(Cl)cc2cc(-c3noc([C@]45C[C@H]6C[C@H](C(=O)N4)[C@H]5C6)n3)oc12 650594362 GIAVJDMBNZRFJX-FMPLOARLSA-N 369.808 3.816 0 40 FHAB C[C@H](C1CC1)n1nccc1NC(=O)NCC(F)(F)c1cccc(F)c1 666783026 LBCWXAQRMDPSQZ-LLVKDONJSA-N 352.360 3.907 0 40 FHAB O=C(c1ccc2ccccc2c1)N1CCC[C@@]2(CCN2C[C@H]2CCCO2)C1 585101758 DWYRCNGAGPJNNT-FYYLOGMGSA-N 364.489 3.699 0 40 FHAB COc1ccc(-c2ccnc(N3CC4(CCNCC4)c4ccccc43)n2)cc1 1150010790 LWUKZVKHPVNTOV-UHFFFAOYSA-N 372.472 3.925 0 40 FHAB C/C(=C\C1CCC(C)CC1)C(=O)N[C@@H](Cc1nc[nH]n1)c1ccccc1 1633249448 ADJVAQPHDSHURA-JEDDHWIGSA-N 352.482 3.977 0 40 FHAB Cc1noc(C)c1-c1nc(N[C@H](C)c2ccccn2)ncc1-c1cnccn1 12088809 WFYHGVYNMISLDT-GFCCVEGCSA-N 373.420 3.774 0 40 FHAB CCC(=O)NC(=S)Nc1ccc(O)c(-c2nc3ccc(C)cc3o2)c1 14257529 FDLZFEHACCLDTA-UHFFFAOYSA-N 355.419 3.732 0 40 FHAB C[C@@H](NC(=O)c1ccc(NC(N)=O)cc1)c1ccc(Cl)c(Cl)c1 14416535 AVRHUMROFQCEAE-SECBINFHSA-N 352.221 3.975 0 40 FHAB Cc1cnc(N2C(=O)CS[C@H]2c2cccc(Br)c2)s1 17198035 WFNVRQWQQCYATC-LBPRGKRZSA-N 355.282 3.993 0 40 FHAB CCC(=O)N1CCC[C@](Cc2ccc(-c3cccs3)cc2)(C(=O)NC)C1 19498618 KARSRVMTJZCXMN-OAQYLSRUSA-N 370.518 3.722 0 40 FHAB COC(=O)c1cc(C2CCN(C(=O)c3csc4ccccc34)CC2)no1 19717711 WFUVXSQDPWFQFB-UHFFFAOYSA-N 370.430 3.696 0 40 FHAB COc1ccc(C(=O)Nc2cc(N3CCCCC3)c(C)cc2N)cc1OC 226331365 MGVMSFIJUKPFMI-UHFFFAOYSA-N 369.465 3.837 0 40 FHAB Cc1cc(C)c(NC(=S)NNC(=S)NC2CCCCC2)c(C)c1 4614958 TTWQXDMBJDMKGV-UHFFFAOYSA-N 350.557 3.610 0 40 FHAB FC(F)(F)c1ccnc(N2C[C@@H]3[C@H](CCN3c3nccc4occc34)C2)c1 1889201607 DSIDPINMECFTNC-IUODEOHRSA-N 374.366 3.957 0 40 FHAB CCN(CC)[C@@H](CNC(=O)/C=C/c1cccc(OC)c1)c1ccccc1 14903563 BBZHDGLPULHQLI-JLVIMGNISA-N 352.478 3.908 0 40 FHAB c1ccc(C[C@@H]2COC(C3(C4=N[C@H](Cc5ccccc5)CO4)CC3)=N2)cc1 1857775517 UWAPKSLVKVQVBT-WOJBJXKFSA-N 360.457 3.847 0 40 FHAB CN(C)[C@H](CNC(=O)CCC(=O)c1ccc(Cl)cc1)c1cccs1 23409011 VHUJGCUBSMZZQB-OAHLLOKOSA-N 364.898 3.784 0 40 FHAB CCCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(C)ccc21 4193385 DLPIQKIXBRSBBS-UHFFFAOYSA-N 355.459 3.861 0 40 FHAB COc1cccc(CNC(=O)CSc2ncc(-c3ccc(F)cc3)o2)c1 14803606 ZZZDQEUCULFFBF-UHFFFAOYSA-N 372.421 3.898 0 40 FHAB Cn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(Cl)ccc21 100815627 HTNQCOXSPOPXKZ-ZZEZOPTASA-N 370.817 3.741 0 40 FHAB CO[C@@H](CNC(=O)c1cc(-c2ccco2)on1)c1ccc(Cl)s1 225701901 YIYIMASOCPDWHK-LBPRGKRZSA-N 352.799 3.767 0 40 FHAB O=C(N[C@@H]1CCC[C@@H](OCC(F)(F)F)C1)c1ccc2ccccc2n1 40080967 ZMBCXXYXCHCUOO-ZIAGYGMSSA-N 352.356 3.855 0 40 FHAB COc1ccc(CCN(C)C(=O)c2cc3c(s2)CCCC3)cc1OC 30865034 GNANPNHQRCSJCJ-UHFFFAOYSA-N 359.491 3.959 0 40 FHAB CCC(CC)(CC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)O 36732720 DQEXPKIMPHKZJG-UHFFFAOYSA-N 366.845 3.686 0 40 FHAB O=C(NCc1ccncc1)c1cc(Br)ccc1-n1cccc1 31817696 PXQJHKLBAQQMAC-UHFFFAOYSA-N 356.223 3.565 0 40 FHAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)NC1CCCCC1 2532757 WUDDZBWANICKIM-UHFFFAOYSA-N 371.403 3.996 0 40 FHAB Cc1cc(C)n(-c2nc(Nc3ccccc3C)nc(-n3nc(C)cc3C)n2)n1 788036 IVZXSZPDHISPOP-UHFFFAOYSA-N 374.452 3.529 0 40 FHAB COc1ccc(Cl)cc1/C=C/C(=O)NCCn1c(C)nc2ccccc21 59744223 HUUFQYBVTVJBSL-JXMROGBWSA-N 369.852 3.836 0 40 FHAB CCN(CC)C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 905294 HHILCHPUOKFJEV-UHFFFAOYSA-N 370.478 3.547 0 40 FHAB C[C@H](Sc1nncs1)C(=O)Nc1ccc(Br)cc1F 7816252 RIYWHNYTGVUXNY-LURJTMIESA-N 362.249 3.559 0 40 FHAB COc1cccc(-c2cc(C(=O)Nc3ccc(OC)c(OC)c3)no2)c1 3907978 JSBZYGJYSRUBFM-UHFFFAOYSA-N 354.362 3.620 0 40 FHAB C[C@@H]1CCC[C@H](NC[C@H](O)COCCOc2ccc(Cl)cc2)[C@@H]1C 6640843 OSISLWGQAJWPLM-RRIFGTCXSA-N 355.906 3.511 0 40 FHAB Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)no1 46275856 HEZYLRUYFYSNFH-AWEZNQCLSA-N 368.220 3.533 0 40 FHAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C)c(C)c2)CC1=O 8291547 DZLVCLSSCJBQJB-INIZCTEOSA-N 352.434 3.694 0 40 FHAB O=C(OCc1cn2cc(Cl)ccc2n1)c1cc(Cl)c2c(c1)OCO2 21461550 ATGKJYGXTCCXAZ-UHFFFAOYSA-N 365.172 3.727 0 40 FHAB C[C@@H](OC(=O)c1ccccn1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 21458061 ULKULFJVRLABPP-SECBINFHSA-N 372.730 3.938 0 40 FHAB Cc1cc(C(=O)COC(=O)CCc2nc3ccccc3s2)c(C)n1C 2622760 HRHUKLSCXXGYJL-UHFFFAOYSA-N 356.447 3.610 0 40 FHAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)[C@@H](C)NC(=O)OCc1ccccc1 32842983 GVBGXVDYAIGGPF-CABCVRRESA-N 358.413 3.660 0 40 FHAB C[C@H]1Oc2ccc(NC(=O)CCCc3c[nH]c4ccccc34)cc2NC1=O 21640952 MFUNYIZNEKKEMV-CYBMUJFWSA-N 363.417 3.849 0 40 FHAB C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N(C)Cc1ccc(Cl)cc1 9157377 MCWGVNNIVQZYKM-QGZVFWFLSA-N 371.912 3.509 0 40 FHAB CCOc1cc(Br)c(CC(=O)N[C@@H](C)C(C)C)cc1OCC 21872142 DCKDCLQQVZWLMB-LBPRGKRZSA-N 372.303 3.950 0 40 FHAB C[C@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(C4CC4)n3C3CC3)cc21 102894265 HHAAONWJAUBYDC-SNVBAGLBSA-N 368.462 3.521 0 40 FHAB Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cccs1 778517 WWPPDCNNRBSLSP-UHFFFAOYSA-N 364.883 3.928 0 40 FHAB Nn1c(COc2ccccc2F)nnc1SC/C=C/c1ccccc1 8132005 SJHUAUHXYYKURF-RMKNXTFCSA-N 356.426 3.516 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)NCc2ccccc2-n2ccnc2C)c1C 20456296 ZQNHVQLZHYDYDE-KRWDZBQOSA-N 363.461 3.881 0 40 FHAB CCN(CC)C(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O 12460445 AIFOSQPMVCCZCO-UHFFFAOYSA-N 369.490 3.692 0 40 FHAB O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1ccc(F)cc1F 54348944 KKERWUVYQPJOJU-UHFFFAOYSA-N 359.376 3.523 0 40 FHAB Cc1noc([C@H]2CCCN(C(=O)C3(c4ccc(F)cc4)CCCC3)C2)n1 54662085 DRAVVFSJQSYQRD-HNNXBMFYSA-N 357.429 3.735 0 40 FHAB O=C(Nc1cccc(Cl)c1)N1CCN(C2Cc3ccccc3C2)CC1 59916421 PHCNISKFYNQKQB-UHFFFAOYSA-N 355.869 3.657 0 40 FHAB O=C(Nc1ccc(N2CCOCC2)nc1)c1cc2c(s1)CCCCCC2 24904230 NZWMDRCPKLKJHO-UHFFFAOYSA-N 371.506 3.891 0 40 FHAB CCN(c1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1)C(C)C 12586657 QPPXAIWXPDLMGV-UHFFFAOYSA-N 360.479 3.577 0 40 FHAB Clc1ccccc1[C@@H](CNc1nc2ccccc2o1)N1CCOCC1 25495278 XDAXYHPJGVEBCG-QGZVFWFLSA-N 357.841 3.967 0 40 FHAB CC(=O)Nc1cccc2c1CCN(C(=O)N[C@H](C)c1ccccc1F)C2 56365548 RWMJBWMTNWLKMG-CYBMUJFWSA-N 355.413 3.613 0 40 FHAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3nnc(C(C)C)s3)c12 26111278 YALCWZQBDGGTQL-UHFFFAOYSA-N 358.471 3.627 0 40 FHAB COc1ccc(SCC(=O)NCc2ccc(Cl)cc2)cc1OC 20462136 KTIUHCMRMPSDIN-UHFFFAOYSA-N 351.855 3.766 0 40 FHAB CCc1ccccc1NC(=O)Cn1nc(-c2ccc(C)c(C)c2)ccc1=O 57427467 ADOHASNNFRPKEX-UHFFFAOYSA-N 361.445 3.728 0 40 FHAB Cc1ccnc(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c1 10056606 UXAVMWRNGHIBCH-UHFFFAOYSA-N 359.433 3.774 0 40 FHAB Cn1nnnc1-c1cccc(NC(=O)c2ccc(-c3ccccc3F)o2)c1 10090786 MCLWLVHLRHKRFM-UHFFFAOYSA-N 363.352 3.529 0 40 FHAB O=C(N[C@@H](Cn1cncn1)c1ccccc1)c1cc(Cl)sc1Cl 58225548 ZXLDZZYZFXZTGH-LBPRGKRZSA-N 367.261 3.818 0 40 FHAB Cc1noc(C2CCN(C(=O)c3ccc(Oc4cccnc4)cc3)CC2)n1 58217004 RHMMATPHWOCFNO-UHFFFAOYSA-N 364.405 3.585 0 40 FHAB COc1ccc(C(=O)COC(=O)Cc2ccc(Cl)cc2Cl)cc1 3304708 IFAFJIDLJLHMCA-UHFFFAOYSA-N 353.201 3.971 0 40 FHAB Cc1csc(N2CCN(C(=O)c3ccc(Cl)c4cccnc34)CC2)n1 27818232 LZPNXTAXOAOKJL-UHFFFAOYSA-N 372.881 3.616 0 40 FHAB Nc1c(Cl)cc(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)cc1Cl 58357481 HSOOJLCDHREVKE-CQSZACIVSA-N 368.195 3.846 0 40 FHAB CC(=O)Nc1ccc(C(=O)CSc2nnc(C)n2-c2ccccc2)cc1 3332647 UWCKBYUOCKGNGY-UHFFFAOYSA-N 366.446 3.509 0 40 FHAB CCCNC(=O)c1c(N)n(-c2cc(C)ccc2C)c2nc3ccccc3nc12 2264909 PDTZISAKMNSDKL-UHFFFAOYSA-N 373.460 3.913 0 40 FHAB Cc1cccc(-n2c(N)c(C(=O)NCC(C)C)c3nc4ccccc4nc32)c1 2246218 BTFBVJYAGQAZHD-UHFFFAOYSA-N 373.460 3.850 0 40 FHAB O=C(NCc1cccc(Cl)c1)c1cc(=O)c(OCc2ccccc2)co1 36352579 QXKNYDLPQVRZCB-UHFFFAOYSA-N 369.804 3.802 0 40 FHAB COc1cc(SC)ccc1C(=O)Nc1ccc(C(=O)NC2CC2)cc1 12757068 GILKNJRSVYNAKP-UHFFFAOYSA-N 356.447 3.562 0 40 FHAB C[C@]1(c2ccco2)NC(=O)N(Cc2coc(-c3cccc(Cl)c3)n2)C1=O 48260891 ZIDWQBFPJTWJCL-GOSISDBHSA-N 371.780 3.555 0 40 FHAB C[C@@H](C(=O)Nc1ccc(F)cc1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12878505 GXTXENCFAPEGQS-JKSUJKDBSA-N 369.440 3.503 0 40 FHAB COc1ccccc1CNC(=O)[C@@H](C)N(C)Cc1ccc2ccccc2c1 12886865 KGKOEUJACMCLSY-QGZVFWFLSA-N 362.473 3.985 0 40 FHAB Cc1ccccc1CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12814429 KACROCBCDWKGQL-UHFFFAOYSA-N 351.446 3.861 0 40 FHAB CC(C)Nc1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)s1 3407110 WFPHMKHWWQSOJN-MRVPVSSYSA-N 357.892 3.526 0 40 FHAB CC1CCN(C(=O)[C@H](C)OC(=O)c2cc(C3CC3)nc3ccccc23)CC1 12983950 SSJRNKPUJQGGRS-HNNXBMFYSA-N 366.461 3.916 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cnc3c(cnn3C(C)C)c2)c1 12971741 ZMHASUKIJYLZJI-CYBMUJFWSA-N 368.437 3.520 0 40 FHAB Cc1noc(C)c1COc1cccc(C(=O)OCC(=O)c2ccccc2)c1 3520116 QHLZVOVIXPBWMI-UHFFFAOYSA-N 365.385 3.910 0 40 FHAB COc1ccc(/C=C/C(=O)OCC(=O)c2cccc(Cl)c2)cc1OC 3525837 AMTMYHWHPPLSHS-VQHVLOKHSA-N 360.793 3.797 0 40 FHAB CC[C@H](NC(=O)Cc1c(C)n[nH]c1C)c1ccc(Br)cc1 8337675 VXHKKMBUZWJPDL-HNNXBMFYSA-N 350.260 3.599 0 40 FHAB O=C(O[C@H]1CCCC1=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 13135352 UNVSZGKZPXGGEF-IBGZPJMESA-N 364.376 3.957 0 40 FHAB CCCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(F)cc1)C3 20671505 CUODUJDALZVHIF-GFCCVEGCSA-N 356.426 3.678 0 40 FHAB Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)Nc2ccccc2)c1 65311037 YWKTZNUJHJBMMI-UHFFFAOYSA-N 362.433 3.551 0 40 FHAB COc1ccc(-c2noc(CCC(=O)N[C@@H](C)c3ccccc3)n2)cc1 14049158 VZAFQCUZJZKSPN-AWEZNQCLSA-N 351.406 3.555 0 40 FHAB Cc1ccccc1NC(=O)[C@H](C)Sc1n[nH]c2nc3ccccc3n12 6506673 QDEPZKBJVSFJRG-LBPRGKRZSA-N 351.435 3.638 0 40 FHAB COc1ccc(NC(=O)CCCCC(=O)Nc2ccc(OC)cc2)cc1 4670479 LTWMCKPNZGIMBG-UHFFFAOYSA-N 356.422 3.841 0 40 FHAB COC(=O)c1sccc1NC(=O)CSc1nc2ccccc2s1 8716976 SORFIOCWGHMRSQ-UHFFFAOYSA-N 364.473 3.875 0 40 FHAB CCCCNC(=O)N(O)[C@@H]1N(CCCC)C(=O)N(CCC(C)C)C1(C)C 4869487 LKQXSHPFBSUDIP-INIZCTEOSA-N 370.538 3.876 0 40 FHAB CCOc1ccccc1Nc1nnc(SCc2nnc(CC)o2)s1 8745673 JYBTUXMFTSCKGH-UHFFFAOYSA-N 363.468 3.918 0 40 FHAB COc1cc(CN(C)Cn2[nH]c(C(C)C)nc2=S)ccc1OC(F)F 8733983 IXBHERMXUFLDOQ-UHFFFAOYSA-N 372.441 3.764 0 40 FHAB O=C(Cc1ccc(-c2ccccc2)cc1)NCc1nnc2n1CCCCC2 8734221 REWJXVIKUOYLMM-UHFFFAOYSA-N 360.461 3.530 0 40 FHAB CCc1ccc(C(=O)NC(=S)/N=c2\[nH]c3ccc(C)cc3s2)cc1 9009810 XMUOQZBDVXQYHE-UHFFFAOYSA-N 355.488 3.716 0 40 FHAB CN(C)Cc1ccccc1CNC(=O)c1cc2c(nc3sccn32)s1 9366942 MQHGLTPMGHEBHL-UHFFFAOYSA-N 370.503 3.602 0 40 FHAB Brc1cncc(-c2nn3c(-c4cccs4)nnc3s2)c1 9483893 JOQCNBCYFJKDDG-UHFFFAOYSA-N 364.253 3.739 0 40 FHAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 9486733 PDKLQTLUUSIGPK-MRXNPFEDSA-N 361.445 3.588 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCCC[C@@H]2c2cccn2C)c1C 71796179 NFYDHASZNYUHGJ-QGZVFWFLSA-N 371.481 3.904 0 40 FHAB COc1ccc(N2Cc3cc(Cl)cc(OC)c3OCC2=O)cc1Cl 77100663 KSSJFAGEISUQMW-UHFFFAOYSA-N 368.216 3.936 0 40 FHAB Cc1ccccc1NC(=O)CSc1n[nH]c(COc2ccccc2F)n1 409385858 NMCYLLCRLXNOJU-UHFFFAOYSA-N 372.425 3.562 0 40 FHAB CC(C)n1ncc2c(C(=O)Nc3nccs3)cc(-c3ccco3)nc21 9954892 MJQGVIUUCSEJHN-UHFFFAOYSA-N 353.407 3.981 0 40 FHAB Cc1cccc(Cn2cc(Br)c(NC(=O)c3ccncc3)n2)c1 27917537 VBZRROFXFPURLS-UHFFFAOYSA-N 371.238 3.650 0 40 FHAB Cc1cc(NC(=S)NC(=O)C(C)(C)C)ccc1NC(=O)c1ccco1 21596375 MJRBYTXVMTVAOJ-UHFFFAOYSA-N 359.451 3.699 0 40 FHAB CC(C)(C)C(=O)N[C@H]1CCCN(Cc2ccc(Br)cc2)C1 513761376 MSOJATDGAMKIFV-HNNXBMFYSA-N 353.304 3.576 0 40 FHAB COc1ccc([C@@H](C)NC(=O)c2cn[nH]c2-c2cccc(C)c2)cc1OC 72329134 QEDBNUYBSGRSIP-CQSZACIVSA-N 365.433 3.893 0 40 FHAB CC[C@H](Oc1ccccc1OC)C(=O)NCCCc1ccccc1OC 219557698 DEPIRVJYLZZUEI-KRWDZBQOSA-N 357.450 3.610 0 40 FHAB CCc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2cc(C)ccc2C)cc1 32929607 YEXBXIHLDPREAW-INIZCTEOSA-N 359.491 3.808 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H](Cc2cc(Nc3ccccn3)ncn2)C1 72383450 KUWHRPMUGANOSR-HNNXBMFYSA-N 369.469 3.805 0 40 FHAB CC(C)CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 33652946 FYGAGWIRQGWYBY-UHFFFAOYSA-N 366.870 3.527 0 40 FHAB O=C(Cc1ccc(Cl)cc1)NCc1nc(-c2ccccc2Cl)no1 75359009 IEBPAZPIYNLVRH-UHFFFAOYSA-N 362.216 3.902 0 40 FHAB COc1ccc2c(c1)[C@H](NC(=O)COc1ccc(F)cc1)CC(C)(C)O2 222784697 CMGVHNXQYMUKOY-QGZVFWFLSA-N 359.397 3.632 0 40 FHAB O=C(NC1CCCCC1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223915826 OJVNQJKABXLEAD-UHFFFAOYSA-N 358.463 3.550 0 40 FHAB O=C(Cn1ccc(=O)c2cc(F)ccc21)Nc1cccc(C(F)(F)F)c1 225750456 CWNTXXQOLYCGFQ-UHFFFAOYSA-N 364.298 3.798 0 40 FHAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 222566332 ZSLPFVPBKHGWMU-MRXNPFEDSA-N 372.896 3.744 0 40 FHAB O=C(N[C@H](c1cccnc1)C1CCOCC1)c1nc2ccccc2s1 225618121 BDRFYTJEQWMXHO-KRWDZBQOSA-N 353.447 3.589 0 40 FHAB COC(=O)C[C@H](NC(=O)c1c(F)cccc1Cl)c1ccc(F)cc1 40158705 MSZASLBTIMDRKK-AWEZNQCLSA-N 353.752 3.652 0 40 FHAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc2c(c1)OCO2 225859839 GRDMIZXBPINVBB-LJQANCHMSA-N 367.445 3.768 0 40 FHAB CC(C)n1ccc2c(C(=O)Nc3cccc(-c4nnn(C)n4)c3)cccc21 95478975 CIFOVJREIAITLT-UHFFFAOYSA-N 360.421 3.665 0 40 FHAB Nc1ncnc(N2CCC[C@@H]2c2ccc(Br)s2)c1Cl 584522974 OTEBXKMBDWKGRK-SSDOTTSWSA-N 359.680 3.878 0 40 FHAB CC(=O)N[C@@H]1CC[C@H]2CN(c3cc(C(C)(C)C)nc(C(C)(C)C)n3)C[C@H]2C1 585137582 HVJROSFNOIPHKN-GVDBMIGSSA-N 372.557 3.813 0 40 FHAB CCCCC(=O)N1CCC[C@@H](N2CCc3cc(OC)c(OC)cc3[C@H]2C)C1 253588959 BPMSWIXPPOYMTI-SJLPKXTDSA-N 374.525 3.804 0 40 FHAB Cn1cncc1[C@@H]1CCCN(Cc2ccc(-c3ccccc3C(=O)O)o2)C1 257308262 TWCKPZJRKQBOPW-OAHLLOKOSA-N 365.433 3.758 0 40 FHAB CC(C)N(CCO)C(=O)c1ccc2c(c1)C[C@](C)(Cc1ccccc1F)O2 257267407 MHECYUFHTCWZRU-QFIPXVFZSA-N 371.452 3.605 0 40 FHAB Cc1cc([C@@H]2CCCN(C(=O)N[C@@H](C)c3cn(C(C)(C)C)nc3C)C2)[nH]n1 282785781 PFLMNFKCQHZJSW-GOEBONIOSA-N 372.517 3.628 0 40 FHAB OC[C@H]1CCCN(Cc2cc(C(F)(F)F)c(Br)cc2F)C1 1238517544 YRCRJVZAQVKDQF-VIFPVBQESA-N 370.184 3.811 0 40 FHAB Cc1ccc(-c2ncc(N(C)C)cc2-c2ccc(S(C)(=O)=O)cc2)cn1 90396193 MVGZGZDEQNNYMW-UHFFFAOYSA-N 367.474 3.589 0 40 FHAB O=C(Cc1cnn(-c2ccccc2)c1)NCc1ccc(-c2ccncc2)cc1 606815573 XNNPNSNRTZCPLZ-UHFFFAOYSA-N 368.440 3.793 0 40 FHAB CN(C[C@H]1C[C@@H](O)C1)C(=O)Nc1cccc(COc2ccc(F)cc2)c1 585123622 ODUUZNKVEPSVRY-RHNCMZPLSA-N 358.413 3.639 0 40 FHAB C[C@@H](NC(=O)CC[C@@H]1CCCO1)c1cccc(OCc2ccccn2)c1 55647780 AJSLXDIITNNFIN-APWZRJJASA-N 354.450 3.797 0 40 FHAB CSCC[C@@](C)(O)CNC(=O)C1(c2ccc(Cl)cc2)CCCC1 75157521 NWPFAAXFOURXNR-QGZVFWFLSA-N 355.931 3.772 0 40 FHAB CCC[C@H](N[C@@H](C)Cc1ccc(OC)c(OC)c1)C(=O)OC(C)(C)C 95943443 CMENPTNVFKAYDT-HOCLYGCPSA-N 351.487 3.735 0 40 FHAB CC(C)(C)c1ccc2nnc(C3CCN(c4ccncc4Cl)CC3)n2n1 585580879 AABPBYWOTANLNO-UHFFFAOYSA-N 370.888 3.854 0 40 FHAB Cc1nn(C)cc1C(=O)N1CCC[C@]12CN(c1cccc(F)c1)C(C)(C)C2 1615157999 PIKMLUUMAOTVJB-NRFANRHFSA-N 370.472 3.531 0 40 FHAB CCOCCc1nnc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)s1 5001139 KXDXETLNAJLQSD-UHFFFAOYSA-N 369.874 3.567 0 40 FHAB O=C(Nc1nc2ccc(F)cc2s1)c1cc(-c2ccccc2O)[nH]n1 5343019 OIBRDVZXAUZBLZ-UHFFFAOYSA-N 354.366 3.783 0 40 FHAB CC(C)c1cc(C(=O)N2CCCCC[C@@H]2c2nn(C)cc2Cl)no1 12119613 ZWILSQREIVSFEQ-CQSZACIVSA-N 350.850 3.942 0 40 FHAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 13947119 CMGLLWRUMFVLBB-QGZVFWFLSA-N 358.507 3.711 0 40 FHAB Cc1cc(C)cc(OCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1 14001598 ZHHSJDFXCLBCNT-UHFFFAOYSA-N 354.450 3.849 0 40 FHAB CC[C@@H](C(=O)NCc1nn(C2CCCC2)c2c1COCC2)c1ccccc1 206752901 PSCHYOMYMPBTRD-GOSISDBHSA-N 367.493 3.881 0 40 FHAB COc1ccc(CCC(=O)NCC2(c3cccs3)CCOCC2)cc1 23238083 NFFOYPZWRNKXGM-UHFFFAOYSA-N 359.491 3.554 0 40 FHAB Cc1cnccc1O[C@@H]1CCN(c2ncc(Br)cc2Cl)C1 1888922026 KSEFBNYMWHPVCY-GFCCVEGCSA-N 368.662 3.859 0 40 FHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)N[C@H](C)c1cccs1 26244337 RQBGYRHDYSKERD-KGLIPLIRSA-N 355.467 3.792 0 40 FHAB CO[C@@H]1CCCN2C(=O)c3ccccc3OCCN(C(C)C)CCCC[C@H]12 2037980851 KCGHFLKILGBTQH-TZIWHRDSSA-N 374.525 3.579 0 40 FHAB CCCCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SC(C)C 4087438 MUJIFBHZBXSTKY-UHFFFAOYSA-N 362.499 3.517 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)N1CCS[C@H](c2ccco2)CC1 219458943 NNOVYVVXNBVYKD-HNNXBMFYSA-N 355.456 3.596 0 40 FHAB O=C(NC[C@H](c1ccsc1)n1cccn1)c1nc2ccccc2s1 575614612 YQHOYRKEBQDMCD-CQSZACIVSA-N 354.460 3.574 0 40 FHAB Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccco2)c2cccs2)c1C 585146786 PVPXIVDGHDRGMX-HNNXBMFYSA-N 368.458 3.845 0 40 FHAB CN1C(=O)c2ccc(NC(=O)c3cc4c(F)cccc4s3)cc2C1=O 24021201 LVZXMVYINWIEKU-UHFFFAOYSA-N 354.362 3.519 0 40 FHAB Cc1ccc(-c2noc(CS(=O)(=O)C/C=C/c3ccccc3)n2)cc1 40060006 AIWUCZSGCKBLKK-VMPITWQZSA-N 354.431 3.673 0 40 FHAB COc1ccc(CN[C@H](c2ccccc2)c2nccn2C)cc1OC(F)F 30643526 YDPDKIQLSMMGHI-GOSISDBHSA-N 373.403 3.909 0 40 FHAB COc1cc2c(cc1OC)-c1c(c(C(=O)O)nn1-c1cccc(Cl)c1)C2 32088106 WHMZCRHIJINJLL-UHFFFAOYSA-N 370.792 3.812 0 40 FHAB O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(Br)cc1 3016628 SOTKXIHWTCKBKL-UHFFFAOYSA-N 352.135 3.572 0 40 FHAB CCOc1ccc(C(=O)[C@H](C)OC(=O)COc2ccc(C)cc2OC)cc1 3435516 NKTCILYFQUSXMF-HNNXBMFYSA-N 372.417 3.596 0 40 FHAB CC(=O)Nc1c(S(=O)(=O)c2ccc(F)cc2)c(C)c(C)n1CC(C)C 20746097 VDFSKTOTILJBFZ-UHFFFAOYSA-N 366.458 3.691 0 40 FHAB O=C(CSCc1ccc(Br)cc1)N[C@H]1C[C@H]2CC[C@@H]1C2 4828988 NGFCCAYNRJDUOK-GUTXKFCHSA-N 354.313 3.987 0 40 FHAB CC(=O)COC(=O)c1ccc(COc2ccc(Br)cc2)cc1 6304063 SBGOXWQTPUIFDQ-UHFFFAOYSA-N 363.207 3.774 0 40 FHAB CCOC(=O)CN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O 6954692 JMRMKRMKRBXIDS-UXBLZVDNSA-N 360.218 3.593 0 40 FHAB COc1ccc(SCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 7219835 PMPDVRYBJQCLFI-UHFFFAOYSA-N 370.518 3.753 0 40 FHAB O[C@@H](COc1cc(Cl)ccc1Cl)CN1CCc2sccc2C1 32888310 YMIXEHIXRRECJR-CYBMUJFWSA-N 358.290 3.853 0 40 FHAB O=C(Nc1ccccc1SC(F)F)C1CCN(C(=O)C2CC2)CC1 21705641 TULXCNOXCNELLB-UHFFFAOYSA-N 354.422 3.588 0 40 FHAB Cc1cc(Br)ccc1NC(=S)NC(=O)c1cccs1 21596285 DIRNPKCCPKKHLH-UHFFFAOYSA-N 355.282 3.946 0 40 FHAB COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(-c2ccccc2Cl)o1 634854 VXIUFDVLQALPRJ-INIZCTEOSA-N 360.797 3.743 0 40 FHAB O=C(CNCc1ccc(F)cc1)Nc1ccc(N2CCCCCC2)cc1 57698787 XPJOITHIKBNPQD-UHFFFAOYSA-N 355.457 3.934 0 40 FHAB Clc1ccc(OCc2cccnc2)c(CSc2nnnn2C2CC2)c1 42571559 QALQYBQGSZNVME-UHFFFAOYSA-N 373.869 3.928 0 40 FHAB C[C@@H](c1ccccc1)N(C)C(=O)CCC(=O)N1CCC(c2ccccc2)=N1 25613931 KZIVKFKZUWIQRP-KRWDZBQOSA-N 363.461 3.623 0 40 FHAB COc1ccc(-c2nc(CC(=O)Nc3nnc(C(C)C)s3)cs2)cc1 26573400 JKKWJCKGYURLCY-UHFFFAOYSA-N 374.491 3.975 0 40 FHAB Cc1ccccc1CNC(=O)COC(=O)c1cc(Cl)ccc1Cl 8070502 DVVLRTQWYOPTRP-UHFFFAOYSA-N 352.217 3.775 0 40 FHAB CCc1cccc(C)c1-n1nnnc1C(C)(C)Nc1ccccc1OC 35622247 QWJHVSRAZHWBDG-UHFFFAOYSA-N 351.454 3.889 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc1 27667781 CUZHVQLCMYMINW-UHFFFAOYSA-N 352.394 3.601 0 40 FHAB CCN(CC)Cc1ccc(CNC(=O)CCc2nc3ccccc3[nH]2)cc1 12547368 RHERYLZFSDMFKL-UHFFFAOYSA-N 364.493 3.654 0 40 FHAB Cc1ccc(-c2nc(C(=O)NCc3ccnc(N4CCCC4)c3)cs2)o1 58213071 ICPYNIJFUICXDR-UHFFFAOYSA-N 368.462 3.637 0 40 FHAB COC(=O)c1ccccc1NC(=S)NC(=O)/C=C/c1ccccc1Cl 2136546 AUEBDIJQRGOKCM-ZHACJKMWSA-N 374.849 3.653 0 40 FHAB Cc1cc([C@@H](C)NC(=O)Nc2ccccc2OCCC(N)=O)c(C)s1 47878113 VBHWJQJEYYUOQN-GFCCVEGCSA-N 361.467 3.502 0 40 FHAB COc1ccc(Oc2cc(NC(=O)CCn3cccn3)ccc2OC)cc1 36391351 CZUPTYSIOXEULS-UHFFFAOYSA-N 367.405 3.721 0 40 FHAB CC(C)CCn1cnc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O 2300145 GHUWFYOPJXNRFN-UHFFFAOYSA-N 357.479 3.904 0 40 FHAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(N(C)C)cc1 12660803 MISFZQGAUXCNFQ-MNEFBYGVSA-N 361.482 3.913 0 40 FHAB CC(=O)c1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 3396012 LYAOEDGQYCGGNO-UHFFFAOYSA-N 370.321 3.911 0 40 FHAB C[C@H](OC(=O)/C=C/c1ccco1)C(=O)Nc1nc(-c2ccccc2)cs1 3376083 MSPDANQBWLJFPB-LXKVQUBZSA-N 368.414 3.987 0 40 FHAB COC(=O)c1sccc1NC(=O)/C=C/c1cccc(Br)c1 12768970 DRPWQTGZPZIXNT-AATRIKPKSA-N 366.236 3.949 0 40 FHAB CC1CCC2(CC1)NC(=O)N(Cc1csc(-c3cccs3)n1)C2=O 12872532 HAMCJNJDMDMEGB-UHFFFAOYSA-N 361.492 3.872 0 40 FHAB Cc1ccccc1NC(=O)CNc1ccccc1C(=O)NCc1ccco1 3403858 JSGUGFSGHQQEFP-UHFFFAOYSA-N 363.417 3.569 0 40 FHAB CCn1c(SCC(=O)c2ccc3c(c2)CCC3)nnc1-c1ccncc1 12917088 HXEAIARAYBJDCJ-UHFFFAOYSA-N 364.474 3.824 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ncnc3sc4c(c23)CCC4)cc1C 8132338 XLETUTLKEKIJPM-UHFFFAOYSA-N 359.476 3.598 0 40 FHAB COc1ccccc1C(=O)Nc1cc(-c2cn3cccnc3n2)ccc1C 4033070 XZTUWPSTIPWFDI-UHFFFAOYSA-N 358.401 3.966 0 40 FHAB O=C1CC[C@H](C(=O)n2ccnc2)[C@H](c2ccccc2)N1C1CCCCC1 4023740 QUORYNSIBVXYBT-ICSRJNTNSA-N 351.450 3.836 0 40 FHAB O=c1c2cc(OCc3ccc(Br)cc3)ccc2nc2n1CCC2 13688964 FLHUSCDTSQBAGX-UHFFFAOYSA-N 371.234 3.684 0 40 FHAB COc1ccc(Cl)cc1C(=O)OCc1nc(-c2cccs2)no1 8314567 MJLVAQMGZLFFLU-UHFFFAOYSA-N 350.783 3.817 0 40 FHAB CCc1ccccc1NCc1cc(=O)n2cc(Br)ccc2n1 8394055 TZWGWXANMIOGFP-UHFFFAOYSA-N 358.239 3.632 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc3ccccc3o2)c1C 4332437 ALAPYBWHDBKFMC-GFCCVEGCSA-N 369.373 3.593 0 40 FHAB Cc1ccc(-c2nn3c([C@@H]4COc5ccccc5O4)nnc3s2)cc1C 4384006 XSNYUZWBORKKFQ-INIZCTEOSA-N 364.430 3.982 0 40 FHAB CC[C@H](NC(=O)c1ccc([S@@](C)=O)cc1)c1nc(-c2ccccc2)c[nH]1 69419131 XYBGMPLBSLNJCV-QLXKLKPCSA-N 367.474 3.695 0 40 FHAB O=C1Nc2ccccc2C[C@H]1CCC(=O)N1CC=C(c2ccccc2)CC1 14285575 UYCKPZPNDVYHKM-HXUWFJFHSA-N 360.457 3.894 0 40 FHAB CCOC(=O)c1sc(NC(=O)COc2ccccc2OCC)cc1C 6610461 MDJOFXVBHRPNCA-UHFFFAOYSA-N 363.435 3.649 0 40 FHAB Cc1cc(C(C)(C)C)ccc1OC(=O)Cc1n[nH]c(=O)c2ccccc12 6650346 UQIJIIYREORNTL-UHFFFAOYSA-N 350.418 3.677 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc(C(C)=O)cc2)c2ccccc12 4744741 VUCIARNXLNJDCP-UHFFFAOYSA-N 355.415 3.852 0 40 FHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(C)cc2)n2nnnc2N1 4878723 QKLBIMJZMYQFAT-LJQANCHMSA-N 374.448 3.526 0 40 FHAB O=C(NCc1ccccc1F)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 67013445 YWIIFQQUXBJYPD-QGZVFWFLSA-N 366.795 3.901 0 40 FHAB CCCSc1nnc(SCc2cc(=O)n3cc(C)ccc3n2)s1 7397565 FVHMJWQUDXDMAM-UHFFFAOYSA-N 364.521 3.649 0 40 FHAB Cn1c(-c2ccccc2)nn(CN(Cc2ccncc2)C2CC2)c1=S 7317900 SEGQLKINBQRGIU-UHFFFAOYSA-N 351.479 3.635 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)c2sc(NC(=O)C3CC3)cc2C)c1 8718480 LLYLKEIAVIMUPD-UHFFFAOYSA-N 372.446 3.752 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc2c(c1)CCC2 7750218 MVUPBHHLDNFTKL-ZDUSSCGKSA-N 373.836 3.778 0 40 FHAB CC(=O)c1cccc(OCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 9460080 XCEVMAFKVDOPBW-UHFFFAOYSA-N 367.401 3.948 0 40 FHAB Cc1ccc(CN(C)C(=O)c2ccc(I)cc2)cc1 20043922 BAUKLMBUFCVDRG-UHFFFAOYSA-N 365.214 3.872 0 40 FHAB NC(=O)Cc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1 24491068 BXWBSBAHHIHZAT-UHFFFAOYSA-N 358.441 3.752 0 40 FHAB Cc1cc(NC(=O)c2cnn(C)c2-n2c(C)ccc2C)c2ccccc2n1 96999294 DIEUURSGYLZVHF-UHFFFAOYSA-N 359.433 3.937 0 40 FHAB CN(C(=O)C(C)(C)C)c1ccc(Oc2cc(C3CC3)nc3ncnn23)cc1 84140006 WYKXZHSOSSOHBV-UHFFFAOYSA-N 365.437 3.803 0 40 FHAB Nc1c(Cl)cc(NC(=O)c2ccc(N3CCCC3)nc2)cc1Cl 84425472 PIBZKDIQNCRIDP-UHFFFAOYSA-N 351.237 3.823 0 40 FHAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)C1 84686346 DIXIOIHLTWGMLW-PIKOESSRSA-N 362.539 3.610 0 40 FHAB C[C@H]1CCCC[C@@H]1OCCNC(=O)c1cc2sc(N(C)C)nc2s1 84692045 XXFKRAPMCPIUBX-RYUDHWBXSA-N 367.540 3.749 0 40 FHAB c1ccc2c(N3CCC[C@@H]3Cn3cncn3)nc(-c3ccsc3)nc2c1 95393097 MVSFARIMHXVCQW-OAHLLOKOSA-N 362.462 3.619 0 40 FHAB CN(C)c1nc2cc(N[C@H](C(=O)N3CCCC3)c3ccccc3)ccc2o1 95967163 WNDHWLODWQBLKE-IBGZPJMESA-N 364.449 3.669 0 40 FHAB COc1ccc(SCC(=O)NCCCc2ccc(C)cc2)cc1OC 22512846 SYNABDJNQPYBLN-UHFFFAOYSA-N 359.491 3.853 0 40 FHAB C[C@]1(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)CC1(Cl)Cl 36866423 SYTWGGHAYRRPRM-CQSZACIVSA-N 364.656 3.701 0 40 FHAB COc1ccc(/C=C(/C(=O)Nc2ccccc2C(N)=O)c2ccccc2)cc1 39240121 CPTIPUKMEVFGKF-HMMYKYKNSA-N 372.424 3.973 0 40 FHAB COC(=O)[C@H]1CN(C(=O)CSc2ccc(C)cc2C)Cc2ccccc21 1543643622 BKBXYDYMYQZIOP-SFHVURJKSA-N 369.486 3.695 0 40 FHAB O=C(NCc1ccc(Cl)cc1)c1[nH]nnc1Nc1cccc(Cl)c1 35480823 CHPYCMNJAMHJHV-UHFFFAOYSA-N 362.220 3.785 0 40 FHAB COc1ccncc1NC(=O)c1occc1CN1c2ccccc2C[C@H]1C 78483049 XSFKOUSGBPERQL-CQSZACIVSA-N 363.417 3.887 0 40 FHAB CCOc1cc(/C=C/C(=O)NCCc2c[nH]c3ccccc23)ccc1OC 49908854 JRQHZLKJTHIRJM-PKNBQFBNSA-N 364.445 3.947 0 40 FHAB Cc1nc(C(=O)N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)cs1 44099069 JVPCAMAHHMPUKJ-UHFFFAOYSA-N 372.425 3.660 0 40 FHAB C[C@H]1CCCN(CCCNC(=S)Nc2ccc(Br)cc2)C1 225735653 UPXLUBHQGJAPOU-ZDUSSCGKSA-N 370.360 3.858 0 40 FHAB C[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 43842500 VEHBMHATOONOLM-OLZOCXBDSA-N 361.825 3.756 0 40 FHAB C[C@@H](O)c1ccc(NC(=O)c2cccc(I)c2)cc1 226272985 FHNIPOUIGYKMAG-SNVBAGLBSA-N 367.186 3.597 0 40 FHAB CCOCCOc1ncc(NC(=O)C2(OCC)CCCCCC2)cc1C 225899675 YKAPRTAQLYAPJX-UHFFFAOYSA-N 364.486 3.873 0 40 FHAB S=C(NCc1cccnc1)Nc1nc(Cl)cc(Oc2ccccc2)n1 225942393 QBPZSNAIJZTRRQ-UHFFFAOYSA-N 371.853 3.804 0 40 FHAB CC(C)(C)n1ncc2c1N=C(O)CS[C@@H]2c1ccc2c(c1)OCCO2 49550586 QAILMOLUGORKIM-MRXNPFEDSA-N 359.451 3.834 0 40 FHAB CO[C@@H](CNC(=O)c1cc(=O)c2ccccc2o1)c1ccc(Cl)s1 225702687 PSFABXQEFGKMQG-AWEZNQCLSA-N 363.822 3.625 0 40 FHAB O=C(CSCc1ccc(Cl)cc1F)NCCOc1ccccc1 225104013 IJFCEDKPJNLQGF-UHFFFAOYSA-N 353.846 3.908 0 40 FHAB Cc1ccc(CN2CCC3(CC2)C[C@H](N(C)Cc2ccccc2)CO3)o1 96220966 VSQOOQYTVGXACY-FQEVSTJZSA-N 354.494 3.844 0 40 FHAB CCCn1nccc1-c1nccnc1[C@@H]1CCCN(C(=O)C(C)(C)C)C1 257325942 WVCDEBCLIHHVCX-OAHLLOKOSA-N 355.486 3.502 0 40 FHAB O=C(O)c1nn(-c2ccc(Cl)cc2)nc1N1CC[C@H](c2ccccc2)C1 256045878 BMJLXOQFAOXGTR-AWEZNQCLSA-N 368.824 3.613 0 40 FHAB CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 253571098 OMQIGGFEMPAXNV-VDERGJSUSA-N 358.235 3.707 0 40 FHAB CC1(C)Oc2ccccc2[C@H]2OCC3(CCN(Cc4c[nH]cn4)CC3)C[C@@H]21 257264379 LUCGPTRUMPKCOR-AZUAARDMSA-N 367.493 3.941 0 40 FHAB Cc1oc2ncnc(O)c2c1C(=O)N[C@H]1CCC(C)(C)c2ccccc21 621253308 PZDYYKAISJHGQP-AWEZNQCLSA-N 351.406 3.779 0 40 FHAB CC(=O)Nc1nc(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)cs1 55525370 LXCCVSJVWXAING-ZDUSSCGKSA-N 363.870 3.602 0 40 FHAB CN1CCC(NC(=O)c2cc3ccccc3n2Cc2ccccc2F)CC1 54148044 XPLDEZMVQDRXGJ-UHFFFAOYSA-N 365.452 3.653 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)n2C)cc1 862198 KLLRNAAZTZJPSR-UHFFFAOYSA-N 368.462 3.530 0 40 FHAB Cc1cccnc1OCC1CCN(c2nccn3nc(C4CC4)cc23)CC1 585532378 NHROFBFYYMBZJY-UHFFFAOYSA-N 363.465 3.606 0 40 FHAB O=C(COC(=O)/C=C/c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F 3322152 PXLJHYHUEFDQGV-FPYGCLRLSA-N 369.726 3.952 0 40 FHAB Cc1cccc(NS(=O)(=O)c2cc(C)c(Br)cc2C)n1 12552645 DKLNKEMUIZJBCV-UHFFFAOYSA-N 355.257 3.570 0 40 FHAB O=C(NCc1cccc(C(F)(F)F)c1)c1cncn1-c1ccc(F)cc1 17064606 KYFMPZGGDILGAV-UHFFFAOYSA-N 363.314 3.960 0 40 FHAB C[C@@H]1CCC[C@@H](NC(=O)[C@@]2(C)CC2(Br)Br)[C@@H]1C 17075382 ONPFGMBLRBYCSL-DNRKLUKYSA-N 367.125 3.823 0 40 FHAB Cc1nonc1CN(C)C(=O)c1cc(-c2ccncc2)nc2c(C)cccc12 19236707 GSWPPFBAEYNDPR-UHFFFAOYSA-N 373.416 3.569 0 40 FHAB O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccccc3)CC[C@@H]21 19372274 WBVBNAPOIRWYMF-ACRUOGEOSA-N 366.530 3.975 0 40 FHAB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(Br)cc1 206761730 RYMLIFDABRNOEW-YIONKMFJSA-N 354.313 3.877 0 40 FHAB CCN1CCN(c2cc(NC(=O)c3ccccc3Cl)c(N)cc2C)CC1 226330998 LZLWTELEXZYGPS-UHFFFAOYSA-N 372.900 3.625 0 40 FHAB CC(C)(C)c1nc2cc(NC(=O)c3ccc(-n4cnnc4)cc3)ccc2[nH]1 19655972 YKOHEDKESDTVSD-UHFFFAOYSA-N 360.421 3.693 0 40 FHAB Cc1ncnc(N(C)CC2CCN(c3nc4ccc(F)cc4o3)CC2)c1F 1888906848 RYGCWHHNHBDWSR-UHFFFAOYSA-N 373.407 3.557 0 40 FHAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3CCc4ccccc4C3)c12 27799945 MZZVPGDALKQSGC-UHFFFAOYSA-N 372.428 3.735 0 40 FHAB c1ccc(OCCCSc2n[nH]c(-c3ccc4c(c3)OCCO4)n2)cc1 1189034905 SLEAAVGYOJQQKB-UHFFFAOYSA-N 369.446 3.804 0 40 FHAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1cc(Br)c[nH]1 13011759 USYOKLLJNQWFAK-NSHDSACASA-N 355.232 3.883 0 40 FHAB Cc1ccc(CN2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)cc1 2037839919 FNXHXPODNIZTRE-QHCPKHFHSA-N 364.489 3.783 0 40 FHAB Cc1cccnc1NC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O 5269410 UPRWSLPXZMWYPK-UHFFFAOYSA-N 353.809 3.506 0 40 FHAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cnc2sccn2c1=O 6480309 NUWZATKRIPLBTO-UHFFFAOYSA-N 373.743 3.681 0 40 FHAB CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(C)cc3)ccc21 8840736 LMXIUVYKDPPUMX-UHFFFAOYSA-N 372.490 3.875 0 40 FHAB COc1cccc2cc(C(=O)Nc3nnc(Cc4cccs4)o3)oc12 11694679 DCARMUWKXKRHDG-UHFFFAOYSA-N 355.375 3.729 0 40 FHAB Cc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccccc4C)no3)n2)cc1 16845595 BTTGZQRKCYKXRV-UHFFFAOYSA-N 358.401 3.625 0 40 FHAB Cc1cc(OC[C@H]2CCCN(C(=O)c3nccc4ccccc34)C2)ccn1 1775970315 BJMZCKIJZYSNMN-KRWDZBQOSA-N 361.445 3.869 0 40 FHAB CC(=O)N(c1nnc(S[C@H](C)C(=O)c2ccc(C)cc2)s1)C1CC1 25771852 BGQHNQYQAVDJEP-LLVKDONJSA-N 361.492 3.725 0 40 FHAB COc1ccc2nc(NC(=O)c3cncn3-c3ccc(F)cc3)sc2c1 28838529 VWPWIIJVTNADSY-UHFFFAOYSA-N 368.393 3.882 0 40 FHAB CC(=O)c1cn(CCC(=O)/N=c2\[nH]c3ccccc3s2)c2ccccc12 40268034 DGSSDIBBVKQBBV-UHFFFAOYSA-N 363.442 3.904 0 40 FHAB Cc1ccc2c(c1)cc(C)c1nnc(SCC(=O)Nc3nccs3)n12 877119 YVLXVACVHMEZTG-UHFFFAOYSA-N 369.475 3.687 0 40 FHAB CCc1ccc2nc(SCC(=O)Nc3nnc(C)s3)c(C)cc2c1 932939 RKBRNTFEIHVKCD-UHFFFAOYSA-N 358.492 3.996 0 40 FHAB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2)N2C(=O)[C@H](C)SC2=N1 2463297 HGLRNHIMODHMIS-XJKSGUPXSA-N 358.463 3.534 0 40 FHAB CCS(=O)(=O)Nc1nn(Cc2c(Cl)cccc2Cl)cc1Cl 2804091 MUYSLIVPWBQZFC-UHFFFAOYSA-N 368.673 3.653 0 40 FHAB O=C(CSc1nnc(-c2ccco2)o1)Nc1ccccc1OC(F)F 3354916 CIIZKNODQHKWOU-UHFFFAOYSA-N 367.333 3.662 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)c1oc3ccccc3c1C)CC2 4383782 MYLPCHWMEVGOKV-UHFFFAOYSA-N 351.402 3.957 0 40 FHAB Cc1ccc(NC(=O)c2ccc(C[C@@H]3SC(=O)NC3=O)cc2)cc1Cl 4484426 JXCOLQCEAIDSLO-HNNXBMFYSA-N 374.849 3.795 0 40 FHAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)n1cccc/c1=N\C(C)C 102197360 DSQBFGGKLXIWQR-HMMYKYKNSA-N 369.446 3.701 0 40 FHAB Cc1cc(C)cc(NC(=S)N2[C@H]3CCC[C@@H]2CC(NC(=O)C2CC2)C3)c1 4857451 BWWUHWVSXOSMHN-YQQQUEKLSA-N 371.550 3.912 0 40 FHAB CC1=NN(C(=O)COc2cc(C)cc(C)c2)[C@](O)(c2ccc(Cl)cc2)C1 6732816 YHQFAAFITULQSL-HXUWFJFHSA-N 372.852 3.789 0 40 FHAB CCN1C(=O)S[C@@H](Cc2ccc(OCc3ccccc3)c(OC)c2)C1=O 6952414 VQMMFSGIOOTVNB-SFHVURJKSA-N 371.458 3.901 0 40 FHAB Cc1ccc(CNS(=O)(=O)c2ccc(Br)c(C)c2)cc1 7378175 RHNDNDWSJGWTOE-UHFFFAOYSA-N 354.269 3.544 0 40 FHAB CC(CNC(=O)[C@H]1COc2ccccc2O1)(c1ccccc1)c1ccccc1 32788992 KNUHRIGAPBMZDZ-JOCHJYFZSA-N 373.452 3.949 0 40 FHAB Cc1ccc(OCCCC(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)cc1 32818695 ADJFDMATRFNESP-UHFFFAOYSA-N 374.824 3.777 0 40 FHAB COc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c1 7671849 KBIWATZXLHNDOZ-UHFFFAOYSA-N 362.311 3.547 0 40 FHAB C[C@H](NC(=O)c1cn(-c2cccc(Br)c2)nn1)c1ccccc1 32815585 QOHFIRDOFBBCPJ-LBPRGKRZSA-N 371.238 3.521 0 40 FHAB CCCCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 10329583 OAWYTISINOJBEU-UHFFFAOYSA-N 360.479 3.716 0 40 FHAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3F)cc21 8959457 MOLRTXMCLWCHEX-UHFFFAOYSA-N 356.397 3.850 0 40 FHAB CC(=O)Nc1ccc(N[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc1 33040161 LECGDLIFOOXVPA-VLIAUNLRSA-N 351.450 3.639 0 40 FHAB Cc1ccn(C(=O)c2ccc(-n3cccn3)cc2)/c(=N/C2CCCCC2)c1 104924813 KLSSGYXMELQEKM-DARPEHSRSA-N 360.461 3.904 0 40 FHAB CC(=O)Oc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)c(C)oc2c1C 630518 SSWXJSLHQHAIFM-UHFFFAOYSA-N 366.369 3.773 0 40 FHAB biogenic CCCC(=O)N[C@H](Oc1ccc(C(C)=O)cc1)C(Cl)(Cl)Cl 2706912 SYORYXQONIUHGB-CYBMUJFWSA-N 352.645 3.881 0 40 FHAB CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 7754630 MWRPMIDISJSIBL-UHFFFAOYSA-N 370.405 3.692 0 40 FHAB O=C1OCCN1c1cccc(NC(=O)C2(c3ccc(F)cc3)CCC2)c1 46864443 BRDUKOMZRALRCD-UHFFFAOYSA-N 354.381 3.843 0 40 FHAB CCNC(=O)NCc1c(C)c(C)n(Cc2ccccc2)c1-n1cccc1 1398806 NTSQBBFQTCNQDM-UHFFFAOYSA-N 350.466 3.763 0 40 FHAB Cc1cccc(NC(=O)CSc2nccn2-c2cccc(C)c2C)n1 24980192 XRCKVKRJGWVUFC-UHFFFAOYSA-N 352.463 3.923 0 40 FHAB O=C(Nc1ccccc1)Nc1snnc1C(=O)Nc1ccc(F)cc1 1417008 VWPCDFKCKHGONN-UHFFFAOYSA-N 357.370 3.574 0 40 FHAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)N1CCCC1 58102817 HQODJEYCACDTBX-AWEZNQCLSA-N 372.852 3.982 0 40 FHAB Fc1ccc([C@@H]2CN(Cn3ncn(-c4ccccc4)c3=S)CCO2)cc1 12522118 LCUJSQIOUYIUCN-SFHVURJKSA-N 370.453 3.573 0 40 FHAB COC(=O)c1cccc(COC(=O)c2cc3ccc(OC)cc3nc2C)c1 26290560 TZVFEJJEJBRKTH-UHFFFAOYSA-N 365.385 3.695 0 40 FHAB Cc1cc(OCC(=O)Nc2cccc(C)c2C)nc(N2CCC[C@H](C)C2)n1 44168354 AJOYQJFSVHOLQU-AWEZNQCLSA-N 368.481 3.656 0 40 FHAB CCCCC[C@H](CCOC(=O)[C@H](C)SC)OC(=O)[C@H](C)SC 108135444 PKVIDKUWRLEMQG-MELADBBJSA-N 350.546 3.915 0 40 FHAB CCCCCn1c(N)c(C(=O)N[C@H](C)CC)c2nc3ccccc3nc21 2265831 HCSRCTUCHLUSOL-CYBMUJFWSA-N 353.470 3.885 0 40 FHAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cn1 3358527 UPUPWBJDFBVIGJ-UHFFFAOYSA-N 359.596 3.837 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)COc2ccc(C(C)=O)cc2)cc1 12760918 UGOGPWDZGXTSEB-FQEVSTJZSA-N 353.418 3.640 0 40 FHAB Cn1ncc2c(NCc3ccc(-c4nc5ccccc5s4)o3)ncnc21 12785966 ZVRGXUWBYIGMBK-UHFFFAOYSA-N 362.418 3.845 0 40 FHAB C[C@]1(C2CCCCC2)NC(=O)N(CCOc2ccccc2Cl)C1=O 8075589 LDDJDZRCWCEECF-GOSISDBHSA-N 350.846 3.610 0 40 FHAB NC(=O)CSc1nnc(-c2cc(-c3cccs3)nc3ccccc23)o1 3443799 BIOJUNQQIGEQMZ-UHFFFAOYSA-N 368.443 3.591 0 40 FHAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1CCCOc1ccc(Cl)cc1 12975904 UYROHNSLZUUIIP-FQEVSTJZSA-N 370.836 3.502 0 40 FHAB Fc1ccccc1CN1CC[C@@]2(C1)CN(Cc1ccccn1)c1cccnc12 306139288 SUBNZJOZMQSWOX-HSZRJFAPSA-N 374.463 3.780 0 40 FHAB O=C(c1cc(Br)c(Br)s1)N1CCCCC1 8181016 XTGKNJWOQQKNRM-UHFFFAOYSA-N 353.079 3.899 0 40 FHAB Cc1cnc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)s1 3555893 ZRTTZZVMNOTIEO-UHFFFAOYSA-N 352.415 3.700 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCn1c(C)nc2ccccc21 8173296 PYCDBXLDUHHSCK-UHFFFAOYSA-N 373.460 3.577 0 40 FHAB COc1cccc(-c2nc(NC[C@@H]3CCCO3)c3ccccc3n2)c1O 13127743 SOUNIKZJXQFRPH-ZDUSSCGKSA-N 351.406 3.602 0 40 FHAB CCc1ccc(-c2noc(CN3C(=O)CC4(CCCCC4)C3=O)n2)cc1 8253032 PDKOSUCRHMRNLA-UHFFFAOYSA-N 353.422 3.508 0 40 FHAB Cc1ccc(SCCNC(=O)CSc2nc3ccccc3[nH]2)cc1 5270187 RPZYENZOAVVENI-UHFFFAOYSA-N 357.504 3.872 0 40 FHAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1n[nH]c2ccccc12 6370942 NMIGXRINGSOBNU-CYBMUJFWSA-N 351.406 3.872 0 40 FHAB CC(=O)Nc1ccc(C(=O)COC(=O)c2cc3c(s2)CCCC3)cc1 5307459 SWCKKOXCWIORLN-UHFFFAOYSA-N 357.431 3.625 0 40 FHAB COc1cc2c(cc1OC)[C@H](C)N(CC(=O)Nc1ccc(C)c(C)c1)CC2 5450778 ASWJAALUTIYYKY-INIZCTEOSA-N 368.477 3.878 0 40 FHAB CCOC(=O)[C@@](NC(=O)CC(C)C)(Nc1ccc(C)c(C)c1)C(F)(F)F 5585736 SGMPBCFQPFNLES-KRWDZBQOSA-N 374.403 3.699 0 40 FHAB Cc1cc(C)cc(C(=O)N2CCC(c3nc(-c4cccnc4)no3)CC2)c1 14628546 PTLZWAXQZWBGAA-UHFFFAOYSA-N 362.433 3.768 0 40 FHAB O=C(CCCCCCN1C(=O)c2ccccc2C1=O)NC1CCCCC1 4872032 RNTWHTNBTHSSRT-UHFFFAOYSA-N 356.466 3.682 0 40 FHAB CC1CCN(CCCNC(=O)c2cc(Br)ccc2Cl)CC1 28067977 PBELOQOAURWKQM-UHFFFAOYSA-N 373.722 3.954 0 40 FHAB COc1ccc(CNC(=O)COc2cccc(Cl)c2Cl)cc1OC 4808878 NFIQXHUCZZMZJQ-UHFFFAOYSA-N 370.232 3.706 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cc(=O)c3cc(C)ccc3o2)cc1 6811223 ACHHLYSOHLUCEQ-UHFFFAOYSA-N 351.358 3.530 0 40 FHAB Cc1cccc(NC(=O)COc2ccc(I)cc2)c1 7034754 CNWFORLMGGAMHK-UHFFFAOYSA-N 367.186 3.617 0 40 FHAB COC(=O)c1cnc(NC(=O)c2ccccc2Cc2ccccc2)s1 8921253 WSOSLIHYXXPHHS-UHFFFAOYSA-N 352.415 3.773 0 40 FHAB CCOc1ccc(-c2nonc2NC(=O)COc2ccc(CC)cc2)cc1 8917162 UBALLYLNVDZBBS-UHFFFAOYSA-N 367.405 3.715 0 40 FHAB Cc1cc(C)n(-c2nc(C)c(Br)c(N3CCCC[C@H]3C)n2)n1 9134346 YGPKNBAUVVAKQY-LLVKDONJSA-N 364.291 3.729 0 40 FHAB CC(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 9834477 JRQJTWRFEJBKBA-UHFFFAOYSA-N 367.401 3.948 0 40 FHAB Cc1ccc(C)c(OC2CCN(C(=O)c3ccc4c(c3)N(C)CC4)CC2)c1 96011192 JWEAMQRHWWHMRA-UHFFFAOYSA-N 364.489 3.979 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](CC)Oc2cccc(OC)c2)c1 22526670 YFXRRASEALFBSW-LJQANCHMSA-N 371.433 3.976 0 40 FHAB Cc1noc(C)c1CCC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 9318647 CQUHSZSSAQJPPA-SFHVURJKSA-N 372.856 3.517 0 40 FHAB O=C1CCCCN1C1CCN(Cc2ccccc2OC2CCCC2)CC1 93741471 DDRGCTNXZAJICL-UHFFFAOYSA-N 356.510 3.985 0 40 FHAB CN(CCOc1ccc(Cl)cc1)C(=O)Nc1ccccc1[S@](C)=O 76094314 YWXQCQWPYSRZOP-XMMPIXPASA-N 366.870 3.620 0 40 FHAB CCCOc1ccc(NC(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)cc1Cl 95458173 KGUKFIGRPPIEMX-KSSFIOAISA-N 368.861 3.588 0 40 FHAB Cc1ccc2c(n1)OCCN2C(=O)c1cc2cc(Br)ccc2o1 95460664 GJZRTGWAPXCCKZ-UHFFFAOYSA-N 373.206 3.938 0 40 FHAB CC(=O)Nc1cccc(NC(=O)CNC(C2CCCC2)C2CCCC2)c1 95986396 OKLDABPLLGMOCX-UHFFFAOYSA-N 357.498 3.922 0 40 FHAB CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccccc2OC)CC1 9934648 LFTWPKAHYUCNPW-UHFFFAOYSA-N 373.884 3.743 0 40 FHAB CN1CCC(N[C@H]2C[C@@H](Cc3cc(-c4ccccc4)on3)C2(C)C)CC1 67889902 WNKHAFPTKCSOHG-UTKZUKDTSA-N 353.510 3.983 0 40 FHAB biogenic,in-vitro O=C1Nc2ccccc2/C1=C1/SC(=O)N(Cc2ccc(Cl)cc2)C1=O 409153075 KOYMQENFQFXMCO-PFONDFGASA-N 370.817 3.899 0 40 FHAB Cc1cc(S(=O)(=O)N2CCCCCC2)ccc1NC(=O)c1ccccc1 408620448 JSUKOYKIQYKNPF-UHFFFAOYSA-N 372.490 3.812 0 40 FHAB CCOc1cc(S(=O)(=O)N[C@H](CC)Cc2ccccc2)ccc1F 27530731 NCWDRBKKYCNNMS-OAHLLOKOSA-N 351.443 3.524 0 40 FHAB CCOC(=O)c1ccc(NC(=O)CSc2ccccc2NC(C)=O)cc1 409181077 VOUMLPCVXARYMH-UHFFFAOYSA-N 372.446 3.553 0 40 FHAB FC(F)Oc1ccc(Cn2c(-c3ccccn3)nnc2N2CCCC2)cc1 1520995130 USFGQKQDYPUTSP-UHFFFAOYSA-N 371.391 3.590 0 40 FHAB Cc1cc(-n2cnnc2)cc2nc(-c3cncc(Br)c3)oc12 73639417 ORJPTRZSHVMEKQ-UHFFFAOYSA-N 356.183 3.541 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2NC2CC2)cc1 72213756 LNCJATOZXPSULP-LJQANCHMSA-N 371.506 3.880 0 40 FHAB CCc1nc2sc([C@H](c3ccccc3)N3CCC[C@H](C)C3)c(O)n2n1 36104695 HFWVDKOSMJAKCC-BBRMVZONSA-N 356.495 3.880 0 40 FHAB COc1cc(OC)cc(-c2nc3cnccn3c2NCc2ccco2)c1 72341915 JJFUYZXZMMCLPP-UHFFFAOYSA-N 350.378 3.619 0 40 FHAB CC1CC(C(=O)Nc2cccc(-n3ncc(C(=O)O)c3C(F)(F)F)c2)C1 540669643 MTWVFMNJYZIISE-UHFFFAOYSA-N 367.327 3.574 0 40 FHAB Cc1cccc(N2C(=O)C[C@@H](Nc3ccccc3Br)C2=O)c1C 36635423 RZBXPDJSXYKRLS-OAHLLOKOSA-N 373.250 3.810 0 40 FHAB Cc1nc2sc([C@@H](c3ccccc3)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 33710743 TWNXXGNDLYDOKC-DVOMOZLQSA-N 356.495 3.872 0 40 FHAB COc1cccc2sc(N(C)CC(=O)Nc3ccc(F)c(F)c3)nc12 70973359 FXAGRKKLRNZOQT-UHFFFAOYSA-N 363.389 3.658 0 40 FHAB Cc1cc(C)cc(O[C@H](C)C(=O)NCc2ccccc2CN2CCCC2)c1 224791225 KLGDUGMOKMOYAD-LJQANCHMSA-N 366.505 3.983 0 40 FHAB COc1cccc2cc(C(=O)NCCc3cnc(-c4ccccc4)nc3)oc12 225592550 UXUMIRUDIDYLEE-UHFFFAOYSA-N 373.412 3.871 0 40 FHAB Cc1ccccc1CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCC(C)C 224110772 GHEPDJALYLDNIW-LJQANCHMSA-N 366.505 3.727 0 40 FHAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCC 223497621 CQZZSYJLHWXBLE-HXUWFJFHSA-N 370.468 3.702 0 40 FHAB CCC[C@H](C)NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)cc1 225807825 FBSXBLSNPXJNJN-RVAQLADHSA-N 372.490 3.832 0 40 FHAB CC[C@@H]1CCCCN1CCCNC(=O)COc1cccc(C(F)(F)F)c1 225813520 DLVIPRLTFXCAKK-MRXNPFEDSA-N 372.431 3.855 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 225630335 NXWXUHADEFEFAF-ZDUSSCGKSA-N 369.446 3.928 0 40 FHAB O=C([C@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCOc2ccccc21 225904340 UHQHGPGPYCWLBH-KRWDZBQOSA-N 370.880 3.978 0 40 FHAB Cc1ccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)cc1Cl 222430404 FPNCVPNAAPOBEQ-UHFFFAOYSA-N 366.870 3.605 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2snnc2-c2ccc(F)cc2)cc1 225780511 XTBQUTFHSDXDLO-UHFFFAOYSA-N 356.382 3.555 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccccc1 224139742 CSXTUPOYQNWNEN-NRFANRHFSA-N 366.505 3.871 0 40 FHAB Cn1c(=O)sc2cc(NC(=O)COc3ccc4ccccc4c3)ccc21 225066420 MKAMSRGZDJFDSK-UHFFFAOYSA-N 364.426 3.771 0 40 FHAB CC1(C)CC(=O)N(CCCC(=O)NCc2ccccc2F)c2ccccc21 96184033 QHYHBXLWKDXCEO-UHFFFAOYSA-N 368.452 3.937 0 40 FHAB Cc1cnn(-c2ccccc2)c1NC(=O)[C@@H]1COc2ccc(F)cc2C1 90650178 SYTNHNSBFXCBPK-HNNXBMFYSA-N 351.381 3.510 0 40 FHAB O=C(NCCc1ccccn1)c1nc2c(s1)CCCN2c1ccccc1 96146853 AOINOFKUXKTJDW-UHFFFAOYSA-N 364.474 3.595 0 40 FHAB Cc1ccc(CNC(=O)N2Cc3cccc(Cl)c3C2)c(N2CCCC2)n1 585082792 IRFPOZGJLVWCBW-UHFFFAOYSA-N 370.884 3.869 0 40 FHAB Cc1nccc(C(=O)N2CCC[C@@H](Cc3cnc4ccccc4c3)CC2)n1 257325581 WTPPQBDAKYXECG-QGZVFWFLSA-N 360.461 3.818 0 40 FHAB Cc1cnn([C@@H]2CCCN(C(=O)Cc3nc(-c4ccccc4)oc3C)C2)c1 109684312 FIHWVQRNMUGGPY-GOSISDBHSA-N 364.449 3.561 0 40 FHAB C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1cnns1 585113683 KWLSWJXEKBAVHP-OAHLLOKOSA-N 371.384 3.674 0 40 FHAB Cc1ccc(C(=O)N2CC3(C[C@@H](OCc4ccccn4)CS3)C2)cc1C 585104041 FSTNKZNJEGNXQI-LJQANCHMSA-N 368.502 3.615 0 40 FHAB O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2)[C@@H]1CC=CCC1 75170411 BFCXWQAXAPJLIX-NVXWUHKLSA-N 354.450 3.759 0 40 FHAB COc1cccc(C[C@]2(C(=O)N[C@H](C)[C@H]3CCCOC3)C[C@H]3CC[C@H]2C3)c1 504891625 KKVCGVWQRKPKDE-KNCYDQBVSA-N 371.521 3.975 0 40 FHAB O=C(NCC1CCN(CC(F)(F)F)CC1)c1cccc2ccccc12 189263751 UUMDLSSKEJHJQU-UHFFFAOYSA-N 350.384 3.844 0 40 FHAB O=C(C1CCCCC1)N1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1 13266585 AOAMQBMBCWKQND-UHFFFAOYSA-N 362.857 3.992 0 40 FHAB O=C(COc1ccc(Cl)cc1)NCCc1csc(-c2ccccn2)n1 19942303 JQCNBQBYUVGIBJ-UHFFFAOYSA-N 373.865 3.596 0 40 FHAB COc1ccc(OC)c(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)c1 5376164 ZGDRQSMXSPLAJG-SXGWCWSVSA-N 357.387 3.650 0 40 FHAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)[C@H]3C[C@@H]3C)CC2)n1 100148347 FZXWDHRNGGDASN-OWLYRPNTSA-N 364.493 3.893 0 40 FHAB Cc1cccc2sc(N3CCN(c4nc5cnccc5s4)CC3)nc12 1888999965 OBOLGIWHALCBGH-UHFFFAOYSA-N 367.503 3.936 0 40 FHAB COc1ccc2sc(N3CCC(N(C)c4ccccn4)CC3)nc2c1 1889186635 JNLKOJKTZNVRNG-UHFFFAOYSA-N 354.479 3.805 0 40 FHAB Cc1nc2c(c(N[C@H](CO)c3cccc(C(F)(F)F)c3)n1)CCCC2 1307187671 ZTVZOPNKZASXKV-MRXNPFEDSA-N 351.372 3.828 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)N1CCN=C1SCc1ccc(F)cc1 4119963 CTIXBCFUIBNGEB-AWEZNQCLSA-N 358.438 3.725 0 40 FHAB O=C(CSc1ccc(-c2ccccn2)nn1)NCc1ccc(Cl)cc1 4358293 PYTROOGCLRFAKH-UHFFFAOYSA-N 370.865 3.601 0 40 FHAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc3cc(C)cc(C)c3s2)cc1 4585918 BZGFYEQVBYDTLE-UHFFFAOYSA-N 374.487 3.959 0 40 FHAB CN(C)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2cccc(Cl)c2)O1 4843916 QEBRDCWGXYDLIG-UHFFFAOYSA-N 373.684 3.855 0 40 FHAB O=C(Nc1ccc(Cl)cc1)Nc1cccc(N2CCCS2(=O)=O)c1 22505771 IWVNMJJLCXMREF-UHFFFAOYSA-N 365.842 3.524 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cc(C)ccc2C)cc1 2690113 BPDSRYNRVBFFCK-UHFFFAOYSA-N 374.506 3.651 0 40 FHAB O=C(NCCNc1ccc(C(F)(F)F)cn1)c1c(F)cccc1Cl 40080791 OMURMMFDYJGIBG-UHFFFAOYSA-N 361.726 3.735 0 40 FHAB COP(=O)(OC)c1nc(-c2ccco2)oc1NCc1ccc(F)cc1 16750193 GCTBKIIRWONUSX-UHFFFAOYSA-N 366.285 3.797 0 40 FHAB COc1ccc(C2c3c(cc(C)oc3=O)Oc3cc(C)oc(=O)c32)cc1 16756448 SFPCHBHSUQCPOL-UHFFFAOYSA-N 352.342 3.504 0 40 FHAB CCOC(=O)c1c(N/C=C2\C(=O)N(C)c3ccccc32)sc2c1CCC2 101023717 PYNRBTSHIHUMIJ-KAMYIIQDSA-N 368.458 3.843 0 40 FHAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(C)c2)n2ncnc2N1 954667 JSHNFYCAAFCRNQ-LJQANCHMSA-N 359.433 3.823 0 40 FHAB O=C1COc2ccccc2N1CC(=O)N(C1CCCCC1)C1CCCCC1 1361641 SNTZHWDCIZFWFW-UHFFFAOYSA-N 370.493 3.906 0 40 FHAB CCOc1ccc(-c2nnc(SCc3cc(C)ccc3C)n2N)cc1 2356393 LZYXUSJRPYBCOU-UHFFFAOYSA-N 354.479 3.967 0 40 FHAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@@H]1COc2ccccc2O1 3554632 RJFNMOSPHRGVCQ-INIZCTEOSA-N 374.368 3.867 0 40 FHAB Cc1ccc(C)c(Cn2nnc(C(=O)Nc3ccc(C(C)C)cc3)c2N)c1 4852622 OKTPSDNAFYEILB-UHFFFAOYSA-N 363.465 3.901 0 40 FHAB CC(C)n1ncc2c(C(=O)Nc3nncs3)cc(-c3cccs3)nc21 21215769 OTWLFKAZGXHCDI-UHFFFAOYSA-N 370.463 3.845 0 40 FHAB COc1cc(CNn2c(C)n[nH]c2=S)ccc1OCc1ccccc1C 7601237 OGPVOWCVTGYGLV-UHFFFAOYSA-N 370.478 3.889 0 40 FHAB Cc1ccc(-c2csc3ncnc(NC[C@H]4COCCO4)c23)cc1C 52490321 CBIWBPDCMMOAKZ-HNNXBMFYSA-N 355.463 3.802 0 40 FHAB CCOc1ccccc1CN(C[C@@H](C)O)C(=O)/C=C/c1cccc(F)c1 32802976 LISDPQKXHZPEJR-LPQFERQCSA-N 357.425 3.647 0 40 FHAB O=C(COc1ccc(Cl)cc1)Nc1nc(-c2cccs2)ns1 11914575 OUSZQLPCOSGUBZ-UHFFFAOYSA-N 351.840 3.938 0 40 FHAB CCn1c(SCC(=O)NCC(C)C)nnc1[C@H]1C[C@@H]1c1ccc(C)cc1 2793453 YJAOWMCCPAKIKV-SJORKVTESA-N 372.538 3.742 0 40 FHAB CCN(CC)C1=NC(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)S1 22195070 UXELVSVNEFJDDJ-MRXNPFEDSA-N 355.463 3.508 0 40 FHAB CCCc1n(C[C@@H](O)COc2cccc(Cl)c2)c2ccccc2[n+]1C 644778 MWUMFOOHFIHXEB-MRXNPFEDSA-N 359.877 3.512 0 40 FHAB C[C@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1ccccc1Cl 50042308 IRALMSYLOQQTLN-ZDUSSCGKSA-N 373.836 3.952 0 40 FHAB OCCN1CCN([C@@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 22863385 BMQLWINJIGEDEK-GOSISDBHSA-N 374.937 3.698 0 40 FHAB COc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCCC3)cc1F 8509620 DAJMEFOAWRXGLH-UHFFFAOYSA-N 363.454 3.534 0 40 FHAB CCOC1=C(Cl)NC(=O)O[C@@]1(OCC)c1cc(Cl)nc(Cl)c1 934410 OFLMQFLGLZVKCB-ZDUSSCGKSA-N 367.616 3.762 0 40 FHAB Cc1c(C(=O)OC(C)C)sc2ncn(CCc3ccccc3)c(=O)c12 958745 TWHDIOHAHLEBKA-UHFFFAOYSA-N 356.447 3.574 0 40 FHAB Cc1cc(=O)c(C(=O)N[C@H]2CCCC[C@@H]2C)nn1-c1ccccc1Cl 23325019 FAXVNTHMQBDEIA-WFASDCNBSA-N 359.857 3.503 0 40 FHAB O=C(O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1Cl 20143164 VPRDEDGOFZXYNN-UHFFFAOYSA-N 365.641 3.986 0 40 FHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1ccno1)CC2 23865787 QNECOZKQXUSCQT-NRFANRHFSA-N 350.418 3.840 0 40 FHAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)N(Cc1ccccc1)c1ccccn1)OC2=O 101398466 UWXBAVGGXXDSEK-VXKWHMMOSA-N 364.445 3.737 0 40 FHAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(S(C)(=O)=O)cc1 24453970 SLDGDWQPUUUOCO-LBPRGKRZSA-N 351.855 3.577 0 40 FHAB Cc1cccc(OCCN(C)C(=O)c2cccc(Nc3ncccn3)c2)c1 24771728 KMYDTKZTAPGTIG-UHFFFAOYSA-N 362.433 3.680 0 40 FHAB C[C@H]1CN(C(=O)CSc2nc3cc(Cl)ccc3s2)C[C@@H](C)O1 12571140 DCGNDIXWDZIWKX-AOOOYVTPSA-N 356.900 3.678 0 40 FHAB COc1cccc(NC(=O)c2cnc(SC)n2-c2ccc(F)cc2)c1 12535407 YQSZIJTZKVQONO-UHFFFAOYSA-N 357.410 3.994 0 40 FHAB Cc1ccc(C)c(NCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1 12565229 XSJCBWKYMPTGKD-UHFFFAOYSA-N 355.829 3.588 0 40 FHAB C[C@H](CN1CCCC1=O)NC(=O)N1CCC[C@@H]1c1cccc2ccccc12 56740925 BCGQNDWQGURKQO-OXQOHEQNSA-N 365.477 3.697 0 40 FHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)O[C@@H](C)C(=O)N(C(C)C)C(C)C 26262395 SKZLVPXLAZQYAD-HNNXBMFYSA-N 374.485 3.511 0 40 FHAB O=C(c1ccc2ccccc2n1)N1CCN(c2ccccc2Cl)CC1 3284132 LNQAUWKBHRYEOX-UHFFFAOYSA-N 351.837 3.851 0 40 FHAB CC(=O)N[C@H](CC(=O)N1CCSc2ccccc21)c1ccc(C)cc1 57701333 AQPBLOVDTXQTCP-QGZVFWFLSA-N 354.475 3.701 0 40 FHAB O=C(c1ccco1)N1CCN(C(=O)c2ccccc2-c2ccccc2)CC1 27156799 CLHFDNSNVBVHTL-UHFFFAOYSA-N 360.413 3.545 0 40 FHAB CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(C)c(F)c2)c1C 58167562 ISWHRVFLMOKXMC-UHFFFAOYSA-N 364.442 3.847 0 40 FHAB COc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2Cl)cc1OC 20457723 CQMPSEHPWBUWBG-LBPRGKRZSA-N 369.870 3.538 0 40 FHAB COc1ccc(-c2nnc(SCc3cc(C)ccc3C)n2N)cc1OC 2207769 LNYCRWRQRULEHC-UHFFFAOYSA-N 370.478 3.585 0 40 FHAB Oc1ccccc1N1CCN(C(=S)Nc2ccc(F)c(Cl)c2)CC1 3332595 YKIPTXSTXKNQLX-UHFFFAOYSA-N 365.861 3.704 0 40 FHAB Cc1cc(C)n(-c2cccc(NC(=O)NCCCOCc3ccco3)c2)n1 48235248 WSKDCZSETFSCAE-UHFFFAOYSA-N 368.437 3.811 0 40 FHAB COc1ccccc1NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 3403523 SWNHSBYERUBIID-KRWDZBQOSA-N 352.478 3.977 0 40 FHAB CC1CCC(CNC(=O)N2CCC(C(=O)NC3CCCCC3)CC2)CC1 62500545 FDBFFKQDMGACMW-UHFFFAOYSA-N 363.546 3.683 0 40 FHAB Cc1nn(C)c(C)c1NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 13011087 JIBSIWAPUZKAGM-UHFFFAOYSA-N 360.870 3.995 0 40 FHAB O=C(c1ccc(Cn2cc(Br)cn2)cc1)N1CCCCCC1 27970010 NKQRRRLWYMJKDZ-UHFFFAOYSA-N 362.271 3.710 0 40 FHAB COc1ccc(OC)c(CSc2nnc(-c3ccc(F)cc3)n2C)c1 8473316 SJOSERSXEUMZNM-UHFFFAOYSA-N 359.426 3.931 0 40 FHAB COc1ccccc1-c1nnc(NC(=O)COc2ccc(C)cc2)s1 17209603 DPDDBHPHPTVTJP-UHFFFAOYSA-N 355.419 3.540 0 40 FHAB COc1ccc2c(C(F)(F)F)cc(SCC(=O)N3CCCC3)nc2c1 4335219 ZRXVWIJAYNMEKM-UHFFFAOYSA-N 370.396 3.977 0 40 FHAB Cn1c(S[C@H]2CCCCC2=O)nnc1-c1cccc(Br)c1 8705632 OYORCBHEJBQLSF-ZDUSSCGKSA-N 366.284 3.848 0 40 FHAB O=C(COC(=O)c1n[nH]c2ccccc12)Nc1ccc(Cl)c(Cl)c1 5360771 CWIUUXIAQZZOKA-UHFFFAOYSA-N 364.188 3.665 0 40 FHAB O=C1NCCCC[C@@H]1Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 14182827 ZVIWCEYORKMUJL-INIZCTEOSA-N 367.478 3.522 0 40 FHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(F)cc3)n2)cc1 8733869 BAWQPLYEXWNTLD-UHFFFAOYSA-N 369.421 3.838 0 40 FHAB CCOC(=O)c1sc2nc(/C=C/c3ccc(F)cc3)[nH]c(=O)c2c1C 6516486 ZFVIJOXPCKVQGM-RMKNXTFCSA-N 358.394 3.779 0 40 FHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3F)C2=O)cc1 4696366 XVKZDBQRYLHYMU-YBEGLDIGSA-N 370.405 3.809 0 40 FHAB CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C(=O)O 4624338 ATPFDBZDQKNZQY-UHFFFAOYSA-N 366.373 3.862 0 40 FHAB CCc1ccc(N2C[C@H](c3nc4ccccc4n3CCOC)CC2=O)cc1 8845056 MXLBKKLGPYNZDB-QGZVFWFLSA-N 363.461 3.766 0 40 FHAB Cn1nnnc1Sc1c(-c2ccccc2)c2ccc(Cl)cc2[nH]c1=O 9225740 AYZQMYPZFBCUKB-UHFFFAOYSA-N 369.837 3.523 0 40 FHAB Cc1cc(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)c(C)n1C1CC1 84079538 PWNXBEOOVCHBDN-GJZGRUSLSA-N 368.481 3.701 0 40 FHAB Cn1ncc2c(SCc3coc(-c4cccc(Cl)c4)n3)ncnc21 26120131 MWSZDTWMFJJAIG-UHFFFAOYSA-N 357.826 3.964 0 40 FHAB CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cccc(NC(=O)C2CC2)c1 23601307 COPSOVGKIQNUMW-UHFFFAOYSA-N 374.387 3.909 0 40 FHAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H]1COc2ccccc2O1 25986383 DZBHQZOCJFYULI-JSGCOSHPSA-N 363.866 3.777 0 40 FHAB O=C(O)C/C(=C/c1cnc(N2CCCC2)nc1)c1nc2ccccc2s1 95350815 BVNKGNNCOJVJGW-ZROIWOOFSA-N 366.446 3.702 0 40 FHAB CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)Nc2cccc(C(C)C)c2)C1 95999229 IBLUWFBGRSMANZ-MRXNPFEDSA-N 369.469 3.903 0 40 FHAB O=C(CCC(=O)N1CCC(C(=O)c2ccccc2)CC1)c1cccs1 9985832 NJPOYJUGMZAGJB-UHFFFAOYSA-N 355.459 3.833 0 40 FHAB Cc1ccn2cc(CNC(=O)Nc3ccc(Cl)c(Cl)c3)nc2n1 89700944 FBIMQXMUHVJIAJ-UHFFFAOYSA-N 350.209 3.666 0 40 FHAB CC(C)c1ccccc1OC[C@@H](O)CN1CCN(c2ccccc2F)CC1 28295292 JQJXRRKGMGEABU-SFHVURJKSA-N 372.484 3.511 0 40 FHAB COc1cc(NC(=O)c2cnc(C)cn2)ccc1NC(=O)C1CCCCC1 35311231 QMBXDIQOAANFLX-UHFFFAOYSA-N 368.437 3.565 0 40 FHAB CC(C)c1ccc(-c2nc(C(=O)N(C)[C@H]3CCC(=O)N(C)C3)cs2)cc1 552667272 WVIXMRDGDGGFCC-INIZCTEOSA-N 371.506 3.626 0 40 FHAB CC[C@@H](c1ccc(F)cc1)N(C)C(=O)CCn1cnc2ccccc2c1=O 36751888 UGWRDUMNMRCVBB-IBGZPJMESA-N 367.424 3.535 0 40 FHAB CN(Cc1ccc([S@@](C)=O)cc1)C(=O)N[C@@H](c1ccccn1)C1CCC1 528174358 KXDDKMJPPHDFBI-NIYFSFCBSA-N 371.506 3.502 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cn3ccnc3)cc2)c1 30939100 OLFOLIPPMTXYLQ-UHFFFAOYSA-N 369.808 3.624 0 40 FHAB O=C1C[C@@H](Nc2ccccc2F)C(=O)N1c1ccc(Cl)c(Cl)c1 36635906 YLPBFDAVZXKHDK-CQSZACIVSA-N 353.180 3.877 0 40 FHAB Cc1ccccc1CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(C)C 225594721 IGWNGEHXMBYBQG-KRWDZBQOSA-N 370.468 3.619 0 40 FHAB Nc1cc(NC(=O)c2ccc(Br)cc2)ccc1N1CCCC1 226267042 PGTNPKIZOGELMK-UHFFFAOYSA-N 360.255 3.884 0 40 FHAB O=C(O)c1ccccc1[C@H]1c2sc(=O)[nH]c2S[C@H]2[C@@H]3CC[C@@H](C3)[C@H]12 137974375 CVZSTKXZJGBVGW-BYHUDHONSA-N 359.472 3.787 0 40 FHAB CCOc1cccc(CNC(=S)Nc2cccc(N3CCCC3=O)c2)c1 225440786 MKGIRALETXVQTN-UHFFFAOYSA-N 369.490 3.699 0 40 FHAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1 225421189 OLBAHZLGMRAALN-MOPGFXCFSA-N 366.505 3.604 0 40 FHAB Cc1csc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)OCC(O)=N3)n1 329115991 TTYYGUTYACUXLV-AWEZNQCLSA-N 357.435 3.799 0 40 FHAB O=C(NCCOc1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1 224535859 GDYBNAJJLPUPHF-UHFFFAOYSA-N 372.896 3.747 0 40 FHAB COc1ccc2oc(=O)c(C(=O)N[C@H](C)CCc3ccccc3)cc2c1 226038545 FXDUQVNBONEHSA-CQSZACIVSA-N 351.402 3.553 0 40 FHAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1 225821483 JIYYEFPFGNUSFK-IBGZPJMESA-N 351.443 3.794 0 40 FHAB COc1ccc([C@@H]2CCN(S(=O)(=O)/C=C/c3ccc(C)cc3)C2)cc1 75166764 LJQLYACYOHMYMP-XYDKVEKUSA-N 357.475 3.794 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cnc(-c3cccc(F)c3)nc2)cc1 222624970 XYAUUVBEEHHXTN-UHFFFAOYSA-N 365.364 3.712 0 40 FHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCN(C)c1ccccc1 224194453 RTVQKFWQVNPHRD-KRWDZBQOSA-N 352.478 3.585 0 40 FHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 223129889 PFQFZSJFAMKBOF-LJQANCHMSA-N 372.896 3.682 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2)c(C)c1C 224937983 HIDDFQPZKNJGAD-UHFFFAOYSA-N 360.479 3.713 0 40 FHAB Cc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cc(C)oc4C)C3)C2)n1 96216199 DXCBLYVVOFCGSC-QFIPXVFZSA-N 367.493 3.728 0 40 FHAB CCOC(C(=O)O[C@@H]1CCCC[C@H]1O)(c1ccccc1)c1ccccc1 96509996 ULEOWLNJKYHOSZ-WOJBJXKFSA-N 354.446 3.813 0 40 FHAB O=C1N[C@H](Cc2nc(C3CCCC3)nn2CC(F)(F)F)c2ccccc21 91656755 GSTOJGJOHMPBFI-CQSZACIVSA-N 364.371 3.525 0 40 FHAB Cc1cc(NC(=O)CSc2ccccc2)cc2c1N(C)C(=O)C2(C)C 96182157 BMYZNZMYBGIXCZ-UHFFFAOYSA-N 354.475 3.980 0 40 FHAB O=C(Nc1ccccc1C(F)(F)F)c1cccnc1O[C@H]1CCOC1 244970195 HNTPRWSIZCPICX-NSHDSACASA-N 352.312 3.520 0 40 FHAB Cc1cccc(Nc2cc([C@@H]3CCCCN3Cc3ncc[nH]3)nc(C)n2)n1 257272285 NBURXNBHFRYRPR-KRWDZBQOSA-N 363.469 3.682 0 40 FHAB COc1ccc(-c2cc(C(=O)NC[C@H]3CCOC3)c3ccccc3n2)cc1 41374842 STQWFYXPCUIHRQ-OAHLLOKOSA-N 362.429 3.677 0 40 FHAB O=C(COc1ccc(Cl)cc1Cl)N1CC[C@H](c2ccccn2)C1 85472942 QWOLPGWKSPBJRZ-LBPRGKRZSA-N 351.233 3.783 0 40 FHAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccn2C[C@@H]2CCCO2)S1 260758961 DQVOFCNTHZRMDZ-WTLGNFPFSA-N 368.506 3.651 0 40 FHAB O=C(Nc1nc(-c2ccc3ccccc3n2)n[nH]1)c1cccc2cc[nH]c12 647772549 ZUTDMRZRLHAURJ-UHFFFAOYSA-N 354.373 3.754 0 40 FHAB CO[C@H](Cn1ccc(=O)c2cc(Oc3ccccc3)ccc21)[C@H]1CCOC1 664021888 JBLQQKTWFMNXEX-KSFYIVLOSA-N 365.429 3.845 0 40 FHAB COc1ccc(CN[C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)cc1 585288598 FLYYENZZNNQTGZ-XUVXKRRUSA-N 361.869 3.799 0 40 FHAB C[C@H]1CN(C(=O)c2ccccc2N(C)C(=O)c2cccs2)CC(C)(C)O1 65610658 ZUXPFXGBHIMVRW-AWEZNQCLSA-N 372.490 3.664 0 40 FHAB C[C@@H]1CCCN(C(C)(C)CNc2nc(-c3cccnc3)nc3c2CCC3)C1 1655068843 KCTVZTQOOARGST-MRXNPFEDSA-N 365.525 3.950 0 40 FHAB C=CCn1c(O)c(C(=O)Nc2ccc(OCC)cc2)c(=O)c2ccccc21 5444549 GDDQUAPLBDRKBT-UHFFFAOYSA-N 364.401 3.544 0 40 FHAB CCc1sc(NC(=O)c2cnc(N(C)C)nc2)nc1-c1ccc(F)cc1 12191838 RIZXPQZKVZRLQR-UHFFFAOYSA-N 371.441 3.620 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12219877 FXOJPFMGVWYUFK-GFCCVEGCSA-N 373.428 3.587 0 40 FHAB COc1ccc([C@@H](CNC(=O)Nc2cccc(C)c2)N2CCCC2)cc1 13002509 IEBZREPNMAAYBO-HXUWFJFHSA-N 353.466 3.962 0 40 FHAB COc1cc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)c(OC)cc1Cl 14400617 YEMWVQNCUINRCO-SNVBAGLBSA-N 353.777 3.902 0 40 FHAB CCc1ccc(N2C[C@@H](C(=O)Nc3cccc4ncccc34)CC2=O)cc1 14791808 WYWGWABGPBXESW-INIZCTEOSA-N 359.429 3.789 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccn2)CC1 16499654 NLHKMGLSMWEWPD-UHFFFAOYSA-N 365.264 3.738 0 40 FHAB Cn1ccnc1-c1nc(NCCc2ccccn2)ncc1-c1cccc(F)c1 19291688 ILEXATAGAUOUBA-UHFFFAOYSA-N 374.423 3.733 0 40 FHAB O=C(c1ccccc1-c1ccccc1)N1CCC[C@@H]1c1ccnc2ncnn12 19374240 PAINLJRZLJEJQK-LJQANCHMSA-N 369.428 3.769 0 40 FHAB O=C(c1ccnc(N2CCCCC2)c1)N1CCCC[C@@H]1CCN1CCCC1 19403671 OTPYJYRXAKNLMG-HXUWFJFHSA-N 370.541 3.553 0 40 FHAB C[C@H](Cc1ccccn1)N(C)Cc1c([C@@H]2CCCO2)[nH]c2ncccc12 19456956 XRFUCHNCDXNMCH-BEFAXECRSA-N 350.466 3.872 0 40 FHAB C[C@@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)NC4CCCC4)cc3c2C1 3538227 XIENMPFHMJPOLQ-CYBMUJFWSA-N 354.450 3.508 0 40 FHAB Cc1nc([C@]2(C)CCCN(C(=O)Cc3cccs3)C2)c2sccn12 1848353183 MWWJOYXQALRHEQ-GOSISDBHSA-N 359.520 3.889 0 40 FHAB O=C(NCCNC(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1 27623005 VJTMKKSRZWLDJW-UHFFFAOYSA-N 370.758 3.519 0 40 FHAB COc1ccc2sc(N(CCN(C)C)C(=O)c3cccs3)nc2c1 4359353 BNUOSCSXOJDRIC-UHFFFAOYSA-N 361.492 3.575 0 40 FHAB O=C(/C=C\c1ccc2c(c1)OCO2)Nc1nnc(-c2ccccc2)s1 17192351 GHHJVNVSYJAQPT-CLFYSBASSA-N 351.387 3.586 0 40 FHAB COc1ccc2cc(C(=O)NCc3nccnc3-c3ccsc3)[nH]c2c1 575621274 ZXLGXOMIJKSFLR-UHFFFAOYSA-N 364.430 3.625 0 40 FHAB C=CC(=O)Nc1ccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 77579498 DAMQXEHCSNUDAD-INIZCTEOSA-N 356.422 3.917 0 40 FHAB O=C(NCC[C@@H]1CCCO1)c1nc(-c2ccccc2)n2c1CCCCC2 40086678 YSKZHEDHMZRINX-KRWDZBQOSA-N 353.466 3.575 0 40 FHAB Cc1ncoc1C(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 80636177 JXMRVHPFYDVUME-MRXNPFEDSA-N 354.385 3.880 0 40 FHAB O=C(NCc1ccoc1)c1nc(-c2cccs2)n(-c2ccccc2)n1 45836127 AUXXMJUXLWSCNM-UHFFFAOYSA-N 350.403 3.519 0 40 FHAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)C1C[C@@H]2CCC[C@H](C1)C2=O 16044458 MLSOBIIJHSPNKP-SFNIOZHNSA-N 358.478 3.711 0 40 FHAB O=C(COC(=O)c1cc(F)c(F)c(F)c1F)NC1CCCCCCC1 51387150 GIABDDWGMCGYAD-UHFFFAOYSA-N 361.335 3.629 0 40 FHAB COC(=O)N1c2ccccc2N(C(=O)OC)c2c1oc1ccccc1c2=O 1607476 PRDPNQFFFMWUKG-UHFFFAOYSA-N 366.329 3.915 0 40 FHAB CC(=O)c1cccc(NC(=O)COC(=O)c2ccccc2C(F)(F)F)c1 3385289 GZQJLILDWVCAMJ-UHFFFAOYSA-N 365.307 3.704 0 40 FHAB Cc1cccc(C(=O)N/C(=C/c2ccco2)C(=O)N2CCCCCC2)c1 4828299 GWQDHUFCLJATGB-XDJHFCHBSA-N 352.434 3.762 0 40 FHAB CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1ccoc1C 4860795 FPUMSHXHTRZCLG-DOMZBBRYSA-N 362.499 3.653 0 40 FHAB Cc1nc(NCCNC(=O)/C=C/c2ccccc2)c2c(C)c(C)sc2n1 4882394 JZGWGKYGIAUOLS-MDZDMXLPSA-N 366.490 3.858 0 40 FHAB COC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12 6126907 VCBXUEXSOXVUNO-UHFFFAOYSA-N 353.374 3.714 0 40 FHAB CCc1ccc(C(=O)Nc2ncc(I)cc2C)cc1 6518910 BSZQTBGYKITBBI-UHFFFAOYSA-N 366.202 3.809 0 40 FHAB CCN(CC)Cc1ccc(NC(=S)NC(=O)/C=C/c2ccco2)cc1 6629866 LHWPUGNGTAVPGH-VAWYXSNFSA-N 357.479 3.648 0 40 FHAB O=C(Cc1ccc(Br)cc1)Nc1cccc(N2CCCC2=O)c1 6987654 YHCKNZNBJGNKHQ-UHFFFAOYSA-N 373.250 3.757 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C)cc1C 8040942 DAAYEIOPLMDPAD-INIZCTEOSA-N 354.450 3.849 0 40 FHAB O=C(CCc1ccccc1)OCC(=O)c1ccc(Br)s1 8075063 BNODLQWOGLKQSC-UHFFFAOYSA-N 353.237 3.869 0 40 FHAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 8724660 YJIDSKFUIKQIOD-UHFFFAOYSA-N 373.334 3.922 0 40 FHAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)C1 10640638 QNKQEPLAGJAFKE-HOCLYGCPSA-N 368.477 3.708 0 40 FHAB C[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 10764468 MZKHNRBGMMSTOG-CYBMUJFWSA-N 365.882 3.554 0 40 FHAB O=C(COc1ccc(Cl)cc1)Nc1ccc(Oc2cnccn2)cc1 32930804 UJYRWOQSTYQERH-UHFFFAOYSA-N 355.781 3.940 0 40 FHAB Cc1cc(NC(=O)Cn2nc(C(F)F)cc2C)ccc1Br 676064 JHWIKQDWZIZOOE-UHFFFAOYSA-N 358.186 3.839 0 40 FHAB CN1CCc2nc(NC(=O)c3ccc(-c4ccc(F)cc4)o3)sc2C1 23608477 RGJRXZZPWOIOIO-UHFFFAOYSA-N 357.410 3.782 0 40 FHAB Fc1ccc(Br)cc1[C@@H]1C=C(c2cccnc2)Nc2ncnn21 2914191 ZBLADYJVXNQLAS-HNNXBMFYSA-N 372.201 3.631 0 40 FHAB Cc1ccc(C(=O)N[C@H](C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)C(C)C)cc1 105287393 QAJVIOIVSYSBEL-LPBINRMYSA-N 356.510 3.690 0 40 FHAB COCCNC(=O)/C=C/c1ccc(-c2ccc(Br)cc2)s1 24259163 LHLPWFAFIVCLOJ-VQHVLOKHSA-N 366.280 3.953 0 40 FHAB O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)CCc1c[nH]c2ccccc12 24986256 OMBWFZVLZVLEDN-FQEVSTJZSA-N 361.445 3.730 0 40 FHAB CC(C)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 1459911 AIDQXANHPSWJHN-QGZVFWFLSA-N 354.425 3.618 0 40 FHAB CN(C)c1ccccc1NC(=O)c1cccc(I)c1 12545209 UGDUTWPBYHOUBH-UHFFFAOYSA-N 366.202 3.610 0 40 FHAB CC(C)c1ccccc1OCCNC(=O)c1cccc(N2CCCC2=O)c1 110508695 AENTWWVDEQXQJT-UHFFFAOYSA-N 366.461 3.746 0 40 FHAB CC[C@H](NC(=O)CCCNC(=O)OC(C)(C)C)c1ccc(OC)cc1 57979787 VGFXGIUOZFEHDG-INIZCTEOSA-N 350.459 3.567 0 40 FHAB Cc1cc(CSc2nnc(CN3CCCC3)n2Cc2ccccc2)no1 57990914 JNDOYSFEYFQESI-UHFFFAOYSA-N 369.494 3.511 0 40 FHAB CCOc1cccc([C@H](C)NC(=O)c2cccc(CN3CCCC3=O)c2)c1 58185620 JRKFYJBMPOXUEN-INIZCTEOSA-N 366.461 3.699 0 40 FHAB Cc1c(-c2ccncc2)n[nH]c1NC(=O)c1csc(-c2ccco2)n1 58231125 FVQFEGGGCJSAJT-UHFFFAOYSA-N 351.391 3.749 0 40 FHAB CCC(=O)Nc1ccc([C@H](C)NC(=O)N2CCC(n3cccc3)CC2)cc1 58210860 STHHUTWPBJRNSA-INIZCTEOSA-N 368.481 3.944 0 40 FHAB CCOc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1OC 12603788 ODTXPMIBEKQDNI-QGZVFWFLSA-N 365.433 3.948 0 40 FHAB Cc1csc(NC(=O)[C@@H]2CCC[C@@H](C(=O)Nc3nc(C)cs3)C2)n1 58341792 QAHJUWYCGXXWJB-VXGBXAGGSA-N 364.496 3.600 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NC1CCN(CC2CCCC2)CC1 58391560 IASXRXTXRKZBFR-OAHLLOKOSA-N 364.917 3.878 0 40 FHAB CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 12604769 DMQGBVGIRVSDQM-SZGUKTLCSA-N 358.463 3.628 0 40 FHAB O=C(Nc1ccn(Cc2ccccn2)n1)c1ccc(-c2ccccc2F)o1 58426833 KSXNNEBIZJQDGX-UHFFFAOYSA-N 362.364 3.978 0 40 FHAB CCOC(=O)c1cnc(-n2cc(C)cn2)nc1Nc1ccc(Cl)cc1 2379055 IFIZFGNQTQTDTF-UHFFFAOYSA-N 357.801 3.544 0 40 FHAB COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cccc(C(F)(F)F)c1 2396951 ZPORCHZEXSQVNE-HNNXBMFYSA-N 366.339 3.611 0 40 FHAB Cc1cccn2c(=O)c3cc(C(=O)N(CC(C)C)CC(C)C)sc3nc12 2498381 ZFNVUMYFSRZEAM-UHFFFAOYSA-N 371.506 3.972 0 40 FHAB CC(C)(C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1 12798532 CTXAFVONMRNKJX-UHFFFAOYSA-N 364.489 3.907 0 40 FHAB Cc1cc(C)cc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)c1 12792425 JNZJTLHBHXSVED-HUUCEWRRSA-N 359.495 3.621 0 40 FHAB O=C(O)C1CCN(C(=O)c2ccccc2OCc2ccccc2Cl)CC1 13167160 WILZQFKKSZPBKS-UHFFFAOYSA-N 373.836 3.856 0 40 FHAB Cc1cc(C(=O)CCC(=O)N(C)C[C@H]2COc3ccccc3O2)c(C)s1 8343721 MAEATYPMGGSSOL-HNNXBMFYSA-N 373.474 3.626 0 40 FHAB COc1ccccc1NC(=O)CCc1c(C)c2ccc(C)cc2oc1=O 14094039 MWCVJFSBQBYYCB-UHFFFAOYSA-N 351.402 3.990 0 40 FHAB COc1ccc(NC(=O)N(CCN2CCCC2)Cc2ccccc2)cc1 83947555 DTPSYQHUCFVVNL-UHFFFAOYSA-N 353.466 3.825 0 40 FHAB COC(=O)c1ccc(NC(=O)c2nc(SC(C)C)ncc2Cl)cc1 6748068 UBFOBUWGJIIMSG-UHFFFAOYSA-N 365.842 3.669 0 40 FHAB CC(=O)Nc1ccc(NC(=O)Cc2ccc3c(c2)CCC(C)(C)O3)cc1 8879438 FYGQGSAWLSHHBP-UHFFFAOYSA-N 352.434 3.930 0 40 FHAB biogenic Cc1ccc(-n2c(C)nnc2SC[C@H](O)COc2ccc(F)cc2)cc1 8710878 NUWKDYYVTKSMNZ-QGZVFWFLSA-N 373.453 3.555 0 40 FHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C2SCCCS2)cc1 15601290 PBBQBXAABHCBGQ-UHFFFAOYSA-N 371.487 3.977 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1C 7309486 GTULIAJRPHUKBU-GOSISDBHSA-N 373.474 3.600 0 40 FHAB C[C@@H](Sc1ccccc1)C(=O)N1CCC(NC(=O)c2ccccc2)CC1 8735784 UWLCKPACTGXNEW-MRXNPFEDSA-N 368.502 3.588 0 40 FHAB O=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(Br)o1 8727164 UJORYEURPGHSJL-UHFFFAOYSA-N 369.303 3.961 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2ccncc2)o1 9762749 AHFUTCVTORGMFR-UHFFFAOYSA-N 350.403 3.896 0 40 FHAB C[C@H](NC(=O)CCn1c(=O)oc2cc(Cl)ccc21)c1cccs1 9365534 GOIKWSHLPKPNQO-JTQLQIEISA-N 350.827 3.577 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)NCCN(C)C1CCCCC1 96999545 AYIJREIOWNLUPX-UHFFFAOYSA-N 369.513 3.875 0 40 FHAB COc1ccc(NC(=O)Cn2c(-c3ccc(Cl)cc3)n[nH]c2=S)cc1 9513849 QTLHYSMYZMANRQ-UHFFFAOYSA-N 374.853 3.908 0 40 FHAB Cc1csc(-c2nonc2NC(=O)Cc2c(Cl)cccc2Cl)n1 9500463 KUZPCBQISCFVMZ-UHFFFAOYSA-N 369.233 3.990 0 40 FHAB Cc1ccc(CCC(=O)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c(C)c1 71946909 SLGVTUAIKDZGFU-UHFFFAOYSA-N 373.518 3.975 0 40 FHAB C[C@@H]1CCC[C@@H](C)N(C(=O)c2oc3ccccc3c2CS(C)(=O)=O)C1 97002784 LVRNOGNEALWINF-ZIAGYGMSSA-N 363.479 3.628 0 40 FHAB CC(C)Nc1cccc(C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)c1 75106394 BWVFTSAHPHILPY-HNNXBMFYSA-N 364.449 3.972 0 40 FHAB CCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)O[C@@H]1CCC[C@H](C)C1 4017161 BDOHNOAWXFPNGF-ZBQZNYHESA-N 372.465 3.835 0 40 FHAB Cc1cc(N2CCCC2)ncc1C(=O)CCCCNC(=O)OC(C)(C)C 72218900 PHNOTTVAEZNQQV-UHFFFAOYSA-N 361.486 3.868 0 40 FHAB CCOc1ccc(OCC)c2[nH]c(=O)c(CNc3ccc(OC)cc3)cc12 72396182 SKYQIYJNVIKYDI-UHFFFAOYSA-N 368.433 3.946 0 40 FHAB COc1ccc(CC(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 219272836 CGOAWKACQSSPGL-GOSISDBHSA-N 355.434 3.665 0 40 FHAB COc1cc(NC(=S)Nc2ccc(C)cc2F)cc(OC)c1OC 71326060 XVZGUMVMSOFJHF-UHFFFAOYSA-N 350.415 3.969 0 40 FHAB COc1ccccc1N1CCN([C@H](C)C(=O)c2c[nH]c3ccccc23)CC1 35946016 IAVURDKAAKQWSP-MRXNPFEDSA-N 363.461 3.570 0 40 FHAB CC1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccc2ccccc12 71979878 APWXEBGHRPLRSJ-UARVQCNDSA-N 353.418 3.672 0 40 FHAB O=C(c1cc[nH]n1)N1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 72349800 DJIFMAYBULPZJC-MRXNPFEDSA-N 364.424 3.554 0 40 FHAB C[C@@H](C(=O)NCCCc1ccc(F)cc1)N1C(=O)CCCc2ccccc21 227169289 CVQMVGUZSTWQCF-INIZCTEOSA-N 368.452 3.633 0 40 FHAB CC(C)NC(=S)Nc1nc(N2CCCC[C@@H]2C)cc(C(F)(F)F)n1 225890011 QTQOKIVOSZQJDV-JTQLQIEISA-N 361.437 3.569 0 40 FHAB COc1ccc(CCC(=O)NCc2nc(-c3cccc(C)c3)no2)cc1C 223181314 AARRDMVRJCYZLQ-UHFFFAOYSA-N 365.433 3.611 0 40 FHAB O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccccc1-n1cccn1 40115149 SZFWZEJZRKKTBK-UHFFFAOYSA-N 369.808 3.939 0 40 FHAB COc1cccc(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)C(C)C)c1 41077038 ZPNHGPRUMJMWQO-UHFFFAOYSA-N 365.433 3.979 0 40 FHAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1ccccc1 222630402 MHMVRQZISUGENP-GOSISDBHSA-N 366.505 3.951 0 40 FHAB CC1(C)[C@H]2CC[C@]1(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C2 195532218 DCTHVLSDKDXVPO-XAYKYTGQSA-N 371.449 3.628 0 40 FHAB CCc1ccc(OCCNC(=O)C2CCN(Cc3ccccc3)CC2)cc1 224525775 OXDWOCPGYCDFFQ-UHFFFAOYSA-N 366.505 3.656 0 40 FHAB COc1ccc(CN2CCC3(CC2)C[C@H](N(C)Cc2ccco2)CO3)cc1 96048013 ITSNMXNCBYMEGF-IBGZPJMESA-N 370.493 3.544 0 40 FHAB CN1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1ccoc1)CC2 96036978 YYDLPHGXKQVHGV-UHFFFAOYSA-N 362.477 3.580 0 40 FHAB Cc1cc(C(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)cs1 585081865 QSGLSRDELINNLZ-UHFFFAOYSA-N 358.463 3.560 0 40 FHAB COC(C)(C)C(=O)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257293383 QPFOAOMPKTZJMC-OAHLLOKOSA-N 360.429 3.536 0 40 FHAB Cc1cc(N2CCCC[C@H]2C)nc(NC(=S)NCc2ccc(F)cc2)n1 260717828 PVFHIBVBAVTGCL-CQSZACIVSA-N 373.501 3.790 0 40 FHAB O=C(NC[C@@H]1CCN(c2ccccc2F)C1)Nc1ccc2c(c1)COC2 365812687 JNKIFCRPLSGKRS-AWEZNQCLSA-N 355.413 3.504 0 40 FHAB CC(C)c1ccc(-c2nc(C(=O)N[C@H]3C[C@@H](C)n4ncnc43)cs2)cc1 617429938 JHMXVEDEARCBRM-DOMZBBRYSA-N 367.478 3.961 0 40 FHAB CC(C)c1nn(C)cc1[C@H]1Nc2ccccc2C(=O)N1CC(F)(F)F 48367542 PJFMEUGTBPELAR-HNNXBMFYSA-N 352.360 3.672 0 40 FHAB CCOC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 5584230 VGXWNWXUJXWZNV-UHFFFAOYSA-N 353.447 3.898 0 40 FHAB C[C@H]1C[C@]2(C[C@H](CN(C3CCCCC3)C3CCCCC3)OC2=O)C(=O)O1 5495950 NEYOBFYBCKOYGK-KLHJMIIUSA-N 363.498 3.591 0 40 FHAB CC(C)(C)Nc1c(C2CCN(C(=O)C3CC3)CC2)nc2ccc(F)cn12 12087476 MCWMCESGGFHCOW-UHFFFAOYSA-N 358.461 3.800 0 40 FHAB CCOc1cc(CN2CCC[C@H](n3c(=O)oc4ccccc43)C2)ccc1O 12119186 WOUZYTWYUFCPQW-INIZCTEOSA-N 368.433 3.536 0 40 FHAB COc1cc2c(cc1CN1CCC(O)(c3ccccc3F)CC1)CCC2 12240578 OYNNEOXSBQGEFW-UHFFFAOYSA-N 355.453 3.807 0 40 FHAB CCC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc2nccnc2c1 12409689 HTMGBBZZFVTYCW-FQEVSTJZSA-N 360.417 3.726 0 40 FHAB CSc1ccc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)cc1 12667483 DSWBONLFJHBUBU-MRXNPFEDSA-N 367.522 3.721 0 40 FHAB CCNC(=S)N(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C1CCCC1 13570918 PUZKXPUPMZWDLM-UHFFFAOYSA-N 357.523 3.784 0 40 FHAB Cc1ccccc1Cn1nc(C)c(NS(=O)(=O)Cc2ccccc2)c1C 14222432 DJMMZLVBLPWOEJ-UHFFFAOYSA-N 369.490 3.799 0 40 FHAB CCOC(=O)c1cccc(NC(=O)C2=Cc3cc(OC)ccc3OC=C2)c1 15838807 NSGXCVSCKSCXOZ-UHFFFAOYSA-N 365.385 3.800 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc4ccccc4n32)c(Cl)c1 17073392 ITFCYSCKLROJDM-HNNXBMFYSA-N 354.797 3.520 0 40 FHAB Cn1nccc1CN1CCO[C@H](c2ccc(-c3cccc(Cl)c3)cn2)C1 19692444 SMRURXYXOSVWIZ-FQEVSTJZSA-N 368.868 3.709 0 40 FHAB CC(C)c1csc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)n1 19718894 QUHRJDRTLMKPBE-LLVKDONJSA-N 363.870 3.912 0 40 FHAB FC(F)(F)c1cccc(OCC2CCN(Cc3ccccn3)CC2)n1 1888850334 RCCBIPFIYGTNGY-UHFFFAOYSA-N 351.372 3.786 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc(C)s2)cc1 26311279 LDAOPLQKJQUBOK-HNNXBMFYSA-N 366.552 3.938 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCN=C2SCc2cccc(C)c2)cc1 2711583 WKSKLOQCJOGLAF-UHFFFAOYSA-N 360.504 3.597 0 40 FHAB COc1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c2ccccc12 3202726 NJDCUMCZAYKGAP-UHFFFAOYSA-N 374.396 3.754 0 40 FHAB C=Cc1ccc(Cn2ccn(-c3cccc4ccccc34)c(=O)c2=O)cc1 4569932 KEIQAMUFGJYQPG-UHFFFAOYSA-N 354.409 3.844 0 40 FHAB CCn1/c(=N\C(=O)c2ccccc2Cl)sc2cc(C(=O)OC)ccc21 12180907 KKKLNTKBFPLLBA-CZIZESTLSA-N 374.849 3.904 0 40 FHAB CCCc1nnc(-c2cc3ccccc3n2CC(=O)NCc2ccco2)o1 13961695 WQQBSUUAEYQNDN-UHFFFAOYSA-N 364.405 3.553 0 40 FHAB Cn1cccc1[C@@H](CNC(=O)c1ccccc1)N1CCc2ccccc2C1 21151863 MYHPLDYLJLGNKX-JOCHJYFZSA-N 359.473 3.555 0 40 FHAB Cc1cc(OC[C@@H]2CCCN(C(=O)c3ccc4ncsc4c3)C2)ccn1 1775970651 PKAHWZCPKZRFBM-OAHLLOKOSA-N 367.474 3.931 0 40 FHAB Cc1ccccc1CN1CCC(Oc2nccc(C(F)(F)F)n2)CC1 1775975456 HLLRBSYGVACDJJ-UHFFFAOYSA-N 351.372 3.847 0 40 FHAB O=C(NCc1nc(C2CCSCC2)no1)c1cc2ccccc2s1 575615345 DCYPKNKXQGVUMA-UHFFFAOYSA-N 359.476 3.825 0 40 FHAB COc1cccc([C@@H](CNC(=O)c2cccc(Br)c2)OC)c1 96389988 DAGZMUGQZNCJGR-MRXNPFEDSA-N 364.239 3.575 0 40 FHAB C[C@@H]1CCCCN1CCCCNC(=O)CCCc1nc2ccccc2[nH]1 40112648 ZIEPJBAZPZSTCQ-QGZVFWFLSA-N 356.514 3.656 0 40 FHAB Cc1ccc(-n2c3c(c(=O)[nH]c2=S)CN(C2CCCCC2)CN3)cc1 20394319 VQNUPRXVQGHJJB-UHFFFAOYSA-N 356.495 3.721 0 40 FHAB NC(=O)[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 11530321 XDHJLCCQFJJMBU-INIZCTEOSA-N 368.437 3.738 0 40 FHAB CNC(=S)N(Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 884591 KBWGPHGNXYWIMY-UHFFFAOYSA-N 371.531 3.713 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(c2ncccn2)C1 1357776 RHDXDRSGVKVYSL-LLVKDONJSA-N 351.237 3.639 0 40 FHAB Nc1nc(CSc2cccc3cccnc23)nc(-c2ccccc2O)n1 1423955 LGIXMTUFSZBCDR-UHFFFAOYSA-N 361.430 3.667 0 40 FHAB CCCCc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1 11781255 CIMXPFQVHUITIA-UHFFFAOYSA-N 361.445 3.887 0 40 FHAB O=C(O)CC1(CNC(=O)Cc2csc(-c3ccccc3)n2)CCCCC1 20727614 PCTKJSBWAYCWDG-UHFFFAOYSA-N 372.490 3.894 0 40 FHAB COc1ccc2c(c1)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 4721122 FEPNCXXZWLXIHV-KRWDZBQOSA-N 371.433 3.511 0 40 FHAB CC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 6224044 ZPGWQNRCHZQXSC-OAHLLOKOSA-N 360.479 3.633 0 40 FHAB Cc1cc(OCC(=O)NCCCc2ccccc2)ccc1Br 6471262 JKCXIMGANQTAJO-UHFFFAOYSA-N 362.267 3.885 0 40 FHAB Cc1ccc(-c2noc(-c3nnn(-c4ccc(F)c(Cl)c4)c3N)n2)cc1 6868186 DSEAQLPJSNGWJW-UHFFFAOYSA-N 370.775 3.667 0 40 FHAB COC[C@@H](C)n1c(SCCOc2ccccc2)nc2ccccc2c1=O 2625117 ZBJSWWSTGRNWKB-OAHLLOKOSA-N 370.474 3.775 0 40 FHAB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(OC(F)F)cc1 102179697 YGTNMKFWJLIVDF-RWMBFGLXSA-N 353.365 3.596 0 40 FHAB CCOC(=O)N1CCN(C(=O)c2sccc2-c2ccc(C)cc2)CC1 32820096 QPTVOVTVDAOIHN-UHFFFAOYSA-N 358.463 3.638 0 40 FHAB COc1cc(OC)c(C2=CCN(C(=O)c3cc(C)oc3C)CC2)c(OC)c1 11918670 CYIBPUQUGUQSRI-UHFFFAOYSA-N 371.433 3.852 0 40 FHAB COc1ccc(NC(=O)c2ccn(COc3ccccc3F)n2)c(C)c1 2798220 CTQVJTPLEOAVIU-UHFFFAOYSA-N 355.369 3.628 0 40 FHAB Cc1cc(C(=O)/N=c2/sccn2Cc2ccc(Cl)cc2Cl)on1 103212256 ZEDVLLRMMMMJDJ-OBGWFSINSA-N 368.245 3.942 0 40 FHAB CC(=O)c1cc(C)ccc1OS(=O)(=O)c1ccccc1C(F)(F)F 46807620 NBBVOYMTNKFTRM-UHFFFAOYSA-N 358.337 3.984 0 40 FHAB COC(=O)C[C@@H](NC(=O)CCC(=O)c1cc(C)ccc1C)c1cccs1 22502473 LQMATOHDSQJKET-MRXNPFEDSA-N 373.474 3.748 0 40 FHAB COc1cccc(CC(=O)OCc2nc(-c3ccc(Cl)cc3)no2)c1 12354601 PGKWAQWGFZEKAT-UHFFFAOYSA-N 358.781 3.685 0 40 FHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccc[nH]1)CC2 57885268 SGAHQHTVLJOAKN-OAQYLSRUSA-N 362.429 3.820 0 40 FHAB Cc1cc(=O)oc2cc(OC(C)C)c(CCC(=O)Nc3nccs3)cc12 12409849 JCPOIFCAYRSZGU-UHFFFAOYSA-N 372.446 3.916 0 40 FHAB O=C(/C=C/c1ccc(Br)s1)Nc1nnc(C2CC2)s1 23650502 ASFRBDKTMPAAFF-GQCTYLIASA-N 356.270 3.891 0 40 FHAB CCOc1ccc(-c2c(C)sc3ncn([C@H](C)C(=O)OC)c(=O)c23)cc1 958892 FIRTUEITSJEXOE-LLVKDONJSA-N 372.446 3.566 0 40 FHAB CCn1cc(C(=O)N2CCCCC2)c(=O)c2cc(C(F)(F)F)ccc21 22236881 NLZAWDGTEAJGDW-UHFFFAOYSA-N 352.356 3.666 0 40 FHAB COc1ccc(-c2nnc(SCc3c(F)cccc3Cl)n2N)cc1 937208 YLSPTSZPYLWAFN-UHFFFAOYSA-N 364.833 3.752 0 40 FHAB O=C1c2ccccc2C(=O)N1CN[C@H](Cc1ccccc1)c1ccccc1 20223255 XKORRSVKSHMDSO-OAQYLSRUSA-N 356.425 3.814 0 40 FHAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 12557207 QUYUDXXFIRACNA-UHFFFAOYSA-N 360.218 3.581 0 40 FHAB Cc1ccc(-c2nc(C)c(C(=O)Nc3cccnc3-n3cccn3)s2)o1 25012219 BXULVFBBFUFIRP-UHFFFAOYSA-N 365.418 3.853 0 40 FHAB C[C@@H]1Cc2cc(-c3csc(-c4ccco4)n3)ccc2N1S(C)(=O)=O 25204695 MQYJQVFWWKVSBO-LLVKDONJSA-N 360.460 3.781 0 40 FHAB Cc1noc([C@H](C)Sc2nc(-c3ccccc3Br)n[nH]2)n1 43695368 XIEYMBJAZLBBSF-ZETCQYMHSA-N 366.244 3.779 0 40 FHAB CC(=O)Nc1cc(C(=O)CSc2nccn2-c2ccccc2)ccc1O 26128313 XUQXVSJKRQCEGI-UHFFFAOYSA-N 367.430 3.511 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3ccc(F)c(C)c3)n[nH]2)c(OC)c1 57413067 XNNMPILCXNGVKG-UHFFFAOYSA-N 355.369 3.794 0 40 FHAB COc1cccc(C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)c1 1981931 ONCSBMCHXGEXGN-NSHDSACASA-N 363.797 3.541 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)Nc1nonc1-c1ccc(C)c(C)c1 27583121 SUUVGCPLCUVQDK-AWEZNQCLSA-N 367.405 3.768 0 40 FHAB COc1cc(/C=C\C(N)=O)cc(Br)c1OCc1ccccc1 409416243 PSJURZGOFLDBIQ-FPLPWBNLSA-N 362.223 3.535 0 40 FHAB CC1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 408707913 MMOQCZKEEUXHRK-OWYJLGKBSA-N 368.399 3.753 0 40 FHAB CC(=O)Nc1ccc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)s1 12755318 UWWJSWRIUURCTL-UHFFFAOYSA-N 372.368 3.578 0 40 FHAB CC[C@@H](OC(=O)c1csc2c1CC[C@H](C)C2)C(=O)Nc1cc(C)on1 12794598 HBPWAVDBZAKTRK-IINYFYTJSA-N 362.451 3.743 0 40 FHAB COc1ccc(-c2nc3c4cnn(-c5ccc(C)cc5C)c4ncn3n2)cc1 2242435 KBBUAIXYJNOPTC-UHFFFAOYSA-N 370.416 3.756 0 40 FHAB CCOc1ccc(-c2nsc(NC(=O)COc3ccccc3C)n2)cc1 28287396 AGJBTLJVEGBHNW-UHFFFAOYSA-N 369.446 3.930 0 40 FHAB COC(=O)c1ccc(NC(=O)c2ccc(F)cc2Br)cc1 8060633 QKTCAGGHNQGZLY-UHFFFAOYSA-N 352.159 3.627 0 40 FHAB Clc1ccc(Cl)c(-c2nnc3sc(-c4csnn4)nn23)c1 36366567 JSGCYJOKMZPKPR-UHFFFAOYSA-N 355.235 3.678 0 40 FHAB C[C@H](OC(=O)[C@@H]1Oc2ccccc2O[C@H]1C)C(=O)c1c[nH]c2ccccc12 10954563 YRRDNRIGESUULH-KQHSUYLTSA-N 365.385 3.511 0 40 FHAB COc1cccc(C2=C[C@@H](c3ccc(OC)c(OC)c3)N=C(S)N2)c1 2483425 LSDJODVUYPZIIG-INIZCTEOSA-N 356.447 3.684 0 40 FHAB CN1CCC(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CC1 36611126 SZOUNMJSFSNADH-UHFFFAOYSA-N 358.869 3.743 0 40 FHAB CCn1cc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cn1 36615300 WSKJSWATYZSBLY-UHFFFAOYSA-N 369.490 3.603 0 40 FHAB Cc1cc(C)c([C@H](C)NC(=O)CNCCOc2ccccc2F)cc1C 16695490 LXXVMOBCOLCWSO-KRWDZBQOSA-N 358.457 3.597 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1sccc1C(N)=O 12974795 ZQHPINSCJHRMNN-ZETCQYMHSA-N 359.234 3.560 0 40 FHAB Cc1nc(NC[C@H](CO)Cc2ccco2)c2c3c(sc2n1)CCCC3 24205907 FGPJKHPSBNJTFH-CYBMUJFWSA-N 357.479 3.735 0 40 FHAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 4472246 QTFGIJOTFGVSCE-VZUCSPMQSA-N 360.218 3.593 0 40 FHAB Nc1cc(C(=O)OCC(=O)c2cccc(Br)c2)ccc1Cl 6422313 GSAMWKBJQALFLI-UHFFFAOYSA-N 368.614 3.724 0 40 FHAB C[C@@H](OC(=O)c1cc(Br)c[nH]1)C(=O)c1c[nH]c2ccccc12 14184449 XHEOGXFJEXDAQX-SECBINFHSA-N 361.195 3.687 0 40 FHAB CCCCc1ccc(CC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 14198970 ZXAOYASBKXHESH-AWEZNQCLSA-N 352.434 3.930 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3cccnc3)o2)c1C 14123741 DFEBGQDLGVERRK-LBPRGKRZSA-N 370.434 3.643 0 40 FHAB C[C@H](NC(=O)c1ccc(NC(N)=O)cc1)c1ccc(Cl)cc1Cl 14387274 UWMXELVFJZKEGY-VIFPVBQESA-N 352.221 3.975 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)/C=C/c1cccc(F)c1 4807387 AVIGSKYOXSPROI-DBTPVHCXSA-N 355.409 3.520 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nncn2-c2ccccc2F)c1C 4890427 UACRHJFGOCGOFP-UHFFFAOYSA-N 372.425 3.529 0 40 FHAB CC(=O)c1cccc(OCCOCCN2CCCC[C@@H]2c2cccnc2)c1 8764338 KNOKMRKWVSKSJZ-JOCHJYFZSA-N 368.477 3.907 0 40 FHAB biogenic CC(=O)c1ccc(N2CCN(C(=O)Cc3cccc4ccccc34)CC2)cc1 6970621 ZVGCZMSQGNQZDA-UHFFFAOYSA-N 372.468 3.934 0 40 FHAB CC(=O)N1CCN(c2nc(-c3ccccc3)nc3sc(C)c(C)c23)CC1 15205768 BDXFLJWLKWVOTE-UHFFFAOYSA-N 366.490 3.644 0 40 FHAB Cc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc(C(=O)O)c1O 20143973 AZUYZIRFIZODCZ-UHFFFAOYSA-N 357.406 3.714 0 40 FHAB O=C(/C=C/c1ccccc1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 7671846 CELMPEIMSGSVHO-RMKNXTFCSA-N 358.323 3.938 0 40 FHAB O=C(CSc1nc2sccc2c(=O)n1-c1ccccc1)c1ccc[nH]1 7781512 AWZRSKDBHHAVTB-UHFFFAOYSA-N 367.455 3.750 0 40 FHAB Cc1nc(-c2ccc(CNC(=O)c3cccc(NC(N)=O)c3)s2)cs1 7821321 MKANADIKMCHWBT-UHFFFAOYSA-N 372.475 3.601 0 40 FHAB CCc1ccc(OCC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 9192617 SRVIGHGTZGZCGC-UHFFFAOYSA-N 374.868 3.757 0 40 FHAB Brc1cncc(-c2nn3c(-c4ccccc4)nnc3s2)c1 9481600 XUYOBGFJHJJFPH-UHFFFAOYSA-N 358.224 3.677 0 40 FHAB O=C(NC1CC1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 71862953 LNRQSHIBRTZKCS-UHFFFAOYSA-N 371.431 3.544 0 40 FHAB Cc1ccc(C(=O)OCC(=O)NCc2ccccc2C(F)(F)F)cc1F 72334010 OIXQMWBCOZFLOX-UHFFFAOYSA-N 369.314 3.626 0 40 FHAB Cn1cc(S(=O)(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)cn1 84370395 KHLNTMVBFGPARY-UHFFFAOYSA-N 356.447 3.514 0 40 FHAB COC(=O)C1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)CC1 9940839 OWIUGYLMFBNFAC-INIZCTEOSA-N 352.862 3.632 0 40 FHAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C)c1 28196157 BVLFFZWMLYEHNA-UHFFFAOYSA-N 353.827 3.544 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1Cl 20039968 SOGOXQMOGPBMQH-UHFFFAOYSA-N 363.797 3.786 0 40 FHAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OC)c(OCC)c1 409378368 OUDZIYYUANAGQA-KRWDZBQOSA-N 374.462 3.862 0 40 FHAB Cc1cccc2c(C(=O)N[C@H](C)CN3CCCC3)cc(-c3ccccn3)nc12 35316657 PVJNWOMEJKYDEU-QGZVFWFLSA-N 374.488 3.819 0 40 FHAB COc1cccc(O[C@@H](C)C(=O)NCCSCc2ccccc2F)c1 30752180 KGWKBUNYZUDEPG-AWEZNQCLSA-N 363.454 3.651 0 40 FHAB CC[C@H](NC(=O)N[C@@H](Cc1ccccc1)CN(C)C)c1ccc(OC)cc1 71999555 QMSWBSSPARRCIM-FPOVZHCZSA-N 369.509 3.618 0 40 FHAB COc1ccc(CNC(=O)Cn2ccc3c(Cl)cccc32)cc1OC 32072580 XDTNVZHVXMUNTN-UHFFFAOYSA-N 358.825 3.628 0 40 FHAB Cc1cc(Oc2ccccc2C)nc([C@H]2CCCN2C(=O)c2cc[nH]n2)n1 72384023 JSLNSTRSADAEEJ-MRXNPFEDSA-N 363.421 3.586 0 40 FHAB O=C(c1ccccn1)N1CCC(c2cncc(Oc3ccccc3)n2)CC1 72362271 VBFIRSWQZJDXCM-UHFFFAOYSA-N 360.417 3.684 0 40 FHAB CCOc1ccc(CN2CCN(c3nc4ccccc4nc3C)CC2)cc1 30003819 DJWDVKLQNBABFG-UHFFFAOYSA-N 362.477 3.659 0 40 FHAB COc1cc(OC)cc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 218896704 OMCRREDISMHNRP-GOSISDBHSA-N 371.433 3.501 0 40 FHAB COc1ccccc1C(=O)NCc1cccnc1Oc1cccc(F)c1 32924711 WFHWSMPXWDXKIN-UHFFFAOYSA-N 352.365 3.952 0 40 FHAB COc1ccc(CN(C)C(=O)COc2cccc3c2CCCC3)cc1OC 223449705 FATFZOBHNMUDKO-UHFFFAOYSA-N 369.461 3.620 0 40 FHAB S=C(Nc1nc(Cl)cc(N2CCCC2)n1)NC1CCCCCC1 226011261 RMCKKHHUSYRCET-UHFFFAOYSA-N 353.923 3.739 0 40 FHAB COc1cc([C@H]2CC(O)=Nc3c2ncn3-c2cc(F)cc(F)c2)ccc1O 40266412 YSFGFFHWEDWZBD-CQSZACIVSA-N 371.343 3.988 0 40 FHAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N1CCN(Cc2ccccc2)CC1 222980741 YLVQEUVGGPVPTH-JOCHJYFZSA-N 366.505 3.805 0 40 FHAB COc1cccc(NS(=O)(=O)c2cc(-c3cc(C)no3)cs2)c1 49545687 UOSTUNCOHHKJSH-UHFFFAOYSA-N 350.421 3.521 0 40 FHAB CCC[C@@H](C)NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1 224261928 CHVVFUJBCKCPTA-MRXNPFEDSA-N 374.506 3.739 0 40 FHAB Cc1ccc(CN2CCC3(CC2)COCCN(c2cccnc2)C3)s1 96239975 UCBJGDUWKSCFSH-UHFFFAOYSA-N 357.523 3.571 0 40 FHAB O=C(Nc1cccc(F)c1)[C@H]1C[C@@]12CCN(C(=O)CCc1ccccc1)C2 96075049 KZTDVOOMGROPSQ-DENIHFKCSA-N 366.436 3.636 0 40 FHAB COc1cc([C@@H](C)NC(=O)C2(C)CCN(Cc3ccccc3)CC2)ccn1 585083276 LHNINQWLPSKGGF-QGZVFWFLSA-N 367.493 3.570 0 40 FHAB Cc1nc(C)c(CNc2nccc(N[C@@H]3CCCO[C@@H]3C(C)C)n2)s1 682392748 ZKRIAAQPUYBQTH-RHSMWYFYSA-N 361.515 3.778 0 40 FHAB O=C(NC1CCCCCC1)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12 57181184 ZYOKZPKQNVDBGI-SFHVURJKSA-N 371.506 3.522 0 40 FHAB C[C@H](NC(=O)c1cc(-c2ccco2)[nH]n1)c1cccc(N2CCCC2)c1 88217794 MTRRDAZRSWYCKW-AWEZNQCLSA-N 350.422 3.761 0 40 FHAB Cc1ccccc1C1(O)CCN(C[C@@H](O)c2ccc3c(c2)CCC3)CC1 12292583 ODKSCRADHGZZPQ-JOCHJYFZSA-N 351.490 3.501 0 40 FHAB Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 13096750 XHTOPXANRROGSG-UHFFFAOYSA-N 372.490 3.812 0 40 FHAB Cc1ncc(-c2ccncc2)c(-c2ccc(CNC(=O)[C@@H]3C[C@@H]3C)cc2)n1 13228130 MGZIKKKLFTZCRI-IFXJQAMLSA-N 358.445 3.786 0 40 FHAB COc1cccc(CN(Cc2nc3ccccc3[nH]2)C[C@@H]2CCCO2)c1 19564630 DRTOLZYXIFCTFP-SFHVURJKSA-N 351.450 3.753 0 40 FHAB O=C1S/C(=C\c2ccc(Br)o2)C(=O)N1c1cccc(O)c1 5376188 BHYRXVGLRCGSQL-XFFZJAGNSA-N 366.192 3.989 0 40 FHAB COc1cc(NC(=O)COc2ccccc2Cl)cc2sc(N)nc12 226312462 YCHXVSGGVDYIFX-UHFFFAOYSA-N 363.826 3.558 0 40 FHAB CC(=O)Nc1ccc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2)s1 10628552 JCLITDXDJVJDLP-OAHLLOKOSA-N 374.462 3.519 0 40 FHAB CC(C)CC(=O)N1CCC(N(c2cc(C(F)(F)F)ncn2)C2CC2)CC1 1849146507 DHCOTZWWAALIDB-UHFFFAOYSA-N 370.419 3.501 0 40 FHAB O=C(CSc1ncnc2c1oc1ccccc12)NCc1ccc(F)cc1 2722807 YNFHPVYEFNIYEU-UHFFFAOYSA-N 367.405 3.924 0 40 FHAB COc1ccc2o/c(=N\c3ccc(C(F)(F)F)cc3)c(C(N)=O)cc2c1 3108398 KKEMXSONLJFQFI-QJOMJCCJSA-N 362.307 3.792 0 40 FHAB Cc1ccc(-n2ccnc(SCC(=O)Nc3ccccc3C)c2=O)cc1 9320433 VXDQEWDZJGSTSA-UHFFFAOYSA-N 365.458 3.580 0 40 FHAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C)cc2)n2nc(C)nc2N1 10434267 LZYJYWIDSOBJPS-IBGZPJMESA-N 359.433 3.823 0 40 FHAB O=C(CCCn1nc(-c2cccs2)ccc1=O)Nc1cccc(F)c1 13698591 YJWZDUKHLFQFGN-UHFFFAOYSA-N 357.410 3.530 0 40 FHAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)c1ccccc1F 22906931 YDJIPWZFWRVFFS-HXUWFJFHSA-N 364.420 3.948 0 40 FHAB Cc1cccc(-c2cc(C[C@]3(C(=O)O)CCCN(C(=O)C(C)C)C3)on2)c1 12366472 OJNDTCPENARMDL-OAQYLSRUSA-N 370.449 3.542 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H](C)Nc2ccc3c(c2)OC(F)(F)O3)c1 30005773 KBOIHIVWHHGLML-JTQLQIEISA-N 362.332 3.650 0 40 FHAB CCCCc1nc(C)c(C(=O)Nc2ccc(N3CCNC3=O)cc2)s1 40093331 ZAJKTEVFGBWUCV-UHFFFAOYSA-N 358.467 3.576 0 40 FHAB O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1ccc(Cl)cc1F 40072036 URXSVCZVSFFTTQ-MRXNPFEDSA-N 362.788 3.849 0 40 FHAB O=C(Nc1ccccc1SC(F)F)[C@@H]1CC(=O)N(Cc2ccco2)C1 40160106 QRIFTJDDQZBMCU-LLVKDONJSA-N 366.389 3.582 0 40 FHAB CC1=C[C@H](c2ccccc2)n2nc(NC(=O)/C=C/c3ccccc3)nc2N1 100857920 GACYIVABTZUOHR-QFQMRYFISA-N 357.417 3.849 0 40 FHAB O=C(NCc1cccnc1)c1cc(-c2ccccn2)nc2cc(F)ccc12 31818822 KYYQMZVUCVKVMK-UHFFFAOYSA-N 358.376 3.761 0 40 FHAB CCCCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)n[nH]c1=O 7345575 ZDDPZCRWWZXNFJ-UHFFFAOYSA-N 362.499 3.534 0 40 FHAB C[C@H](C(=O)Nc1ccc(Cl)cn1)N(C)CCOc1ccccc1Cl 29154074 PANFDOGQMFTXDC-GFCCVEGCSA-N 368.264 3.726 0 40 FHAB O=C(OCc1nc(-c2ccc(OC(F)(F)F)cc2)no1)c1ccco1 51315332 MJAOKDGLKKKSIK-UHFFFAOYSA-N 354.240 3.585 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2C)c(C)c1 787022 UWLGDGQYCWQVKS-UHFFFAOYSA-N 368.462 3.535 0 40 FHAB C[C@H]1CN(c2ccc(NC(=O)COC3CCCCC3)cc2F)C[C@H](C)O1 46070085 PQQCOMSLHAJYCY-GJZGRUSLSA-N 364.461 3.727 0 40 FHAB O=C(O[C@@H](C(=O)NCc1ccco1)c1ccc(Cl)cc1)c1ccco1 1381083 YJTFXFKUJFAXLS-MRXNPFEDSA-N 359.765 3.741 0 40 FHAB CC(=O)OC[C@H](COc1cc(Cl)c(Cl)cc1Cl)OC(C)=O 1675076 HSYXGVVMQJQPBX-SECBINFHSA-N 355.601 3.520 0 40 FHAB COCCN1C(=O)c2n[nH]c(-c3ccco3)c2[C@H]1c1ccccc1Cl 20721132 UBRRYWQNTOLPET-QGZVFWFLSA-N 357.797 3.515 0 40 FHAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc(C(C)C)cc3)ccc21 4885028 UXBBVKAQHOPPOH-UHFFFAOYSA-N 372.490 3.910 0 40 FHAB Cc1cc(C)cc(OCC(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)c1 6500832 IGCIWRBRYYAZPX-UHFFFAOYSA-N 372.534 3.642 0 40 FHAB CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N[C@@H](C)c1ccccc1 6649743 ZNQROTHUPNXRPE-QFBILLFUSA-N 370.518 3.724 0 40 FHAB C[C@@H](OC[C@H](O)CNC1CC(C)(C)NC(C)(C)C1)c1ccc(Cl)cc1 2652687 QEILUEXGBCCJPY-RDTXWAMCSA-N 368.949 3.677 0 40 FHAB Cc1nc(SCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c2ccccc2n1 102325793 WMVCCAKABNTHHY-QEWYBTABSA-N 355.507 3.971 0 40 FHAB CC(C)(C)c1nc2cc(NC(=O)CNC(=O)C3CCCCC3)ccc2o1 32830442 DEUUEMXOWUYYGN-UHFFFAOYSA-N 357.454 3.760 0 40 FHAB CCc1cccc(CC)c1NC(=O)[C@H](C)Sc1nc2c(c(=O)[nH]1)CCC2 11902909 YRYWGRXKJWWOEK-LBPRGKRZSA-N 371.506 3.503 0 40 FHAB Cc1cc(CNC(=O)CCCc2nnc(-c3ccccc3)o2)ccc1F 32924245 DHVCRSZJCCHOHM-UHFFFAOYSA-N 353.397 3.823 0 40 FHAB NC(=O)c1cc(NC(=O)COc2ccc(Cl)c3ccccc23)ccc1F 33064374 RCZFPASOXSUHHH-UHFFFAOYSA-N 372.783 3.749 0 40 FHAB CCOc1cccc(NC(=O)COc2ccc(Br)cc2)c1 9816579 HEDPOAKBICEABT-UHFFFAOYSA-N 350.212 3.865 0 40 FHAB CN(C)c1cccc(C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)c1 53554112 HKQDVVMQRVSUBT-UHFFFAOYSA-N 372.415 3.766 0 40 FHAB COc1cccc(F)c1-c1nc(C)c(C(=O)NCc2ccncc2)s1 12324590 BHQRYIQKFRIORC-UHFFFAOYSA-N 357.410 3.591 0 40 FHAB CC(C)OC(=O)CSc1nnc(-c2ccc(Br)cc2)o1 843667 PCHCDCSMLYQINN-UHFFFAOYSA-N 357.229 3.543 0 40 FHAB CCn1cnnc1-c1cccc(NC(=O)c2ccccc2Br)c1 25287644 IJQVYQDGWFCAGF-UHFFFAOYSA-N 371.238 3.980 0 40 FHAB COc1ccc(C(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1 993441 NBKGFDRDESEEJY-UHFFFAOYSA-N 351.358 3.802 0 40 FHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cccc(Cl)c1 3174388 LUHJHSLSVBGUAH-UHFFFAOYSA-N 352.768 3.719 0 40 FHAB Cc1cc(NC(=O)COc2ccc3c(c2)CCC3)n(-c2ccc(F)cc2)n1 28240843 FYZVTXWQMNOYDZ-UHFFFAOYSA-N 365.408 3.826 0 40 FHAB Cc1noc([C@@H](C)Sc2nc(N)c3c4c(sc3n2)C[C@H](C)CC4)n1 12539444 VQMHXXYGCVXUOI-HTQZYQBOSA-N 361.496 3.943 0 40 FHAB Cc1cccc(-n2ccnc2SCc2nnnn2-c2ccccc2)c1C 24836708 IOPNKDJGNKYCHT-UHFFFAOYSA-N 362.462 3.757 0 40 FHAB C[C@H](OC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)NC1CCCCC1 23079763 NBKHCJFPVGGLSZ-LBPRGKRZSA-N 357.372 3.629 0 40 FHAB Cc1ccc(S(=O)(=O)CNC(=O)Nc2cccc(Cl)c2C)cc1 1410289 QXTSZXLJJPEGEO-UHFFFAOYSA-N 352.843 3.510 0 40 FHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1ccccc1C(F)(F)F 57350824 UUGIXIAIBDCFPF-UHFFFAOYSA-N 361.367 3.964 0 40 FHAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cccnc1Cl 21595619 GKWSEWCLAJDHNP-VMPITWQZSA-N 352.246 3.915 0 40 FHAB CCC[C@H](C)NC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 27463416 BITLTGANUZSNSZ-TVQRCGJNSA-N 360.401 3.813 0 40 FHAB Cc1ccc(OCC(=O)Nc2cccc(CN3CCSCC3)c2)c(C)c1 58216292 NDEGFDOMJVCVMB-UHFFFAOYSA-N 370.518 3.870 0 40 FHAB Cc1ccc2c(=O)cc(C(=O)Nc3onc4c3C[C@H](C)CC4)oc2c1C 27748301 OWZVACYBCJBAIL-SNVBAGLBSA-N 352.390 3.775 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)N2CCC(CCc3ccccc3)CC2)cc1 10680638 QMBDMPIBASIAIP-UHFFFAOYSA-N 371.502 3.923 0 40 FHAB Cc1nn(C)c2ncc(C(=O)Nc3ccc(OC4CCCC4)cc3)cc12 36395862 USCMMJCJVXALGP-UHFFFAOYSA-N 350.422 3.850 0 40 FHAB C[C@H]1C[C@@H](C)CN(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C1 12601797 UGIMLWFYZFHTQV-RWSFTLGLSA-N 352.887 3.647 0 40 FHAB COc1ccc(C(C)=O)c(O[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1 28632407 YVEWAMLBQICNRA-DZGCQCFKSA-N 353.418 3.643 0 40 FHAB CCOC(=O)Cc1csc(NC(=O)c2cc3cc(C)ccc3nc2C)n1 11172741 VRHOFULQJQBYBM-UHFFFAOYSA-N 369.446 3.666 0 40 FHAB O=C1O[C@@H](C(=O)N(Cc2ccco2)c2cccc(F)c2)Cc2ccccc21 45514632 LBSHOOXTRQDTIN-LJQANCHMSA-N 365.360 3.734 0 40 FHAB O=C1C[C@H](c2cccc(Cl)c2)Cc2nc(NC[C@@H]3CCCO3)ncc21 2444666 WFCGOGAFMYDIAT-HIFRSBDPSA-N 357.841 3.634 0 40 FHAB Cc1nc(SCC(=O)N2CCCc3ccccc32)nc2c1CCCC2 408546276 FUPFRXMZPAFLIT-UHFFFAOYSA-N 353.491 3.735 0 40 FHAB Cc1noc(C)c1CC(=O)NCc1ccc(CN2C[C@@H](C)C[C@H](C)C2)cc1 48311112 LAXRRWSRNZJTBO-HOTGVXAUSA-N 369.509 3.628 0 40 FHAB C[C@H]1CN(C(=O)[C@@H](C)Nc2ccccc2Cc2ccccc2)C[C@@H](C)O1 16045389 OHGQORPIIGSVOO-FGTMMUONSA-N 352.478 3.714 0 40 FHAB CSc1cccc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)c1 13345442 NSZACQCUFISPNY-UHFFFAOYSA-N 357.840 3.561 0 40 FHAB C[C@H](NC(=O)c1ccc(F)cc1Cl)c1cccc(N2CCOC2=O)c1 68658741 WJJKNYTWCWOCOW-NSHDSACASA-N 362.788 3.927 0 40 FHAB O=C(Nc1cccc2cccnc12)c1ccn(COc2ccc(F)cc2)n1 27972424 LLELLVWDYIBMAB-UHFFFAOYSA-N 362.364 3.859 0 40 FHAB O=C(Nc1cccc(-c2nc3ccccc3c(=O)[nH]2)c1)c1ccccc1F 63837202 SZYPWDSGZFFJPE-UHFFFAOYSA-N 359.360 3.982 0 40 FHAB COc1ccc(N(Cc2cccs2)C(=O)CSc2nccn2C)cc1 7901155 LSZZKSXMOHXLRP-UHFFFAOYSA-N 373.503 3.816 0 40 FHAB CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3C)C2)cc1 4385145 FVSNZQFTNMLBEM-INIZCTEOSA-N 352.434 3.694 0 40 FHAB Cc1ccsc1CNC(=O)[C@H](C)n1c(S)nnc1-c1cccs1 65476413 FSUKFOXBTLHJNE-JTQLQIEISA-N 364.521 3.543 0 40 FHAB Cc1ccccc1OCCOC(=O)[C@]12CCC(=O)N1c1ccccc1S2 14068285 FBGPLCOCXHRKDF-HXUWFJFHSA-N 369.442 3.546 0 40 FHAB COc1cc(NC(=O)c2ccc(Cn3cccn3)cc2)c(OC)cc1Cl 14283348 CUQAXINAKIPCTO-UHFFFAOYSA-N 371.824 3.854 0 40 FHAB COc1ccc(C)cc1NC(=O)CSCC(=O)Nc1ccc(C)cc1 5556689 BOYXNOQMYHPJKP-UHFFFAOYSA-N 358.463 3.622 0 40 FHAB O=C(Nc1cccc(Cl)c1Cl)c1c(O)c2c([nH]c1=O)CCCC2 5626204 BIJKLTCQPSLDEX-UHFFFAOYSA-N 353.205 3.518 0 40 FHAB COc1ccc(CCNC(=O)Cc2coc3ccc(C)cc23)cc1OC 6809739 HQYLAVBSQJDAIY-UHFFFAOYSA-N 353.418 3.660 0 40 FHAB Cc1ccccc1NC(=O)COC(=O)CCc1nc2ccccc2s1 6886774 RAZNLIOOYXUZKW-UHFFFAOYSA-N 354.431 3.719 0 40 FHAB CCOc1ccccc1/C=C/C(=O)Nc1cc(NC(C)=O)ccc1OC 8735329 DKIUIVWZGDSKIU-FMIVXFBMSA-N 354.406 3.704 0 40 FHAB Cc1ccc(C(=O)Oc2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)cc1 18244047 ALKNAHSYPGVNQT-OALUTQOASA-N 361.397 3.670 0 40 FHAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(OC)cc2)[nH]1 18227950 RGFAUYSADRTXIW-UHFFFAOYSA-N 368.462 3.774 0 40 FHAB C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1cccc2nsnc12 19079730 SJYRFWGKAPLVLF-NSHDSACASA-N 373.459 3.819 0 40 FHAB O=C(Nc1cccc(C2SCCCS2)c1)[C@@H]1CC(=O)N(C2CC2)C1 78394246 QAVWZTIKRBDXPF-CYBMUJFWSA-N 362.520 3.505 0 40 FHAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCC[C@H]1c1ccccc1 9895799 XYDRUIUQDAXFEG-WMZOPIPTSA-N 352.459 3.853 0 40 FHAB CCOc1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)cc1OC 19358825 QGZSTUPUNRZRNY-JXMROGBWSA-N 366.505 3.925 0 40 FHAB CN1C(=O)S/C(=C/c2cccn2-c2ccc(Br)cc2)C1=O 408846121 IPQSHGSRHWFGAX-UKTHLTGXSA-N 363.236 3.906 0 40 FHAB CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC(=O)CCCOC 72289672 RRHFPRDVGVLTPH-HNNXBMFYSA-N 351.443 3.994 0 40 FHAB Cc1cccc2sc(NC(=O)CNC(=O)c3ccc(Cl)cc3)nc12 9503525 UVRILNOGDKYPPH-UHFFFAOYSA-N 359.838 3.627 0 40 FHAB CCc1nnc(SCC(=O)Nc2ccc(F)cc2F)n1-c1ccccc1 9668992 AWTGFIWIJJLIBM-UHFFFAOYSA-N 374.416 3.839 0 40 FHAB Cc1cnc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)s1 72313943 JBGHEQNCDUTXRK-UHFFFAOYSA-N 362.808 3.845 0 40 FHAB CC(C)(C)OC(=O)Cc1cccc(NCc2c[nH]nc2-c2cccnc2)c1 78904349 XVHJVYIEAIBVLC-UHFFFAOYSA-N 364.449 3.968 0 40 FHAB Cn1c(NC[C@@H](c2ccccc2Cl)N2CCOCC2)nc2ccccc21 84314087 RJCWHOOBPJHSAW-IBGZPJMESA-N 370.884 3.712 0 40 FHAB O=C(Cc1ccccc1C(=O)O)Nc1cc(-c2ccccc2Cl)n[nH]1 72401521 YBVWTXKIYSDNNY-UHFFFAOYSA-N 355.781 3.610 0 40 FHAB O=C(COCc1ccccc1)Nc1cc(Br)cc(Cl)c1O 95446769 RIUKMROAEYZEGA-UHFFFAOYSA-N 370.630 3.963 0 40 FHAB Cc1c(-c2ccccc2)oc2c(C(=O)NC3CCOCC3)cccc2c1=O 95953270 MSVGWLXCJKKSOX-UHFFFAOYSA-N 363.413 3.677 0 40 FHAB CC(C)C[C@H](C)OCCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 75110779 MZPLXRAUZGSASN-YJBOKZPZSA-N 362.470 3.584 0 40 FHAB Cc1nc(CN2CCC(CNc3ncc(Cl)cc3F)CC2)oc1C 301513584 CBVVMPRXCUQJGM-UHFFFAOYSA-N 352.841 3.803 0 40 FHAB CC(C)(C)[C@H]1CCc2sc(C(=O)NCc3ccc(C(N)=O)cc3)cc2C1 36727706 QYSYXCRNFPYBPQ-INIZCTEOSA-N 370.518 3.928 0 40 FHAB CC[C@H]1CN(C(=O)c2cncc3ccccc23)CCN1Cc1ccccc1 546109004 CJGVVVBQKSPILC-FQEVSTJZSA-N 359.473 3.971 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc(F)cc1 30132120 JUIZMPRNTGXGOQ-UHFFFAOYSA-N 351.805 3.832 0 40 FHAB CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccccc1-n1ccnc1C 216343624 XSNKFQUKBMIOKL-NRFANRHFSA-N 363.461 3.963 0 40 FHAB Cc1cc(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)c(C)n1C1CCCCC1 184197903 BUABEBGSAAOGMF-UHFFFAOYSA-N 366.465 3.710 0 40 FHAB COc1cc2c(cc1OC)[C@H](c1cc(C)no1)N(C(=O)C(C)(C)C)CC2 72342789 ZARBWUNPXKXDDJ-GOSISDBHSA-N 358.438 3.520 0 40 FHAB CCn1nc(C)c(-c2nn3c(-c4ccc(F)c(F)c4)nnc3s2)c1C 71287344 QPXWUMCKPSBPSN-UHFFFAOYSA-N 360.393 3.631 0 40 FHAB C[C@@]1(C(=O)NCCCc2cccc(F)c2)CC(c2cccc(F)c2)=NO1 223278684 YAKBBPKAXUGLMW-FQEVSTJZSA-N 358.388 3.597 0 40 FHAB CCOc1ccc(-c2nnc3sc(NC(=O)C4CCCCC4)nn23)cc1 41108779 BIMRETBOCRGRPW-UHFFFAOYSA-N 371.466 3.770 0 40 FHAB C[C@@H](C(=O)NCCCc1ccccc1F)N1C(=O)CCCc2ccccc21 227169253 HOPJGPAXHHOIMJ-INIZCTEOSA-N 368.452 3.633 0 40 FHAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl 225475888 FTNYDPUEXVIBNA-INIZCTEOSA-N 372.896 3.824 0 40 FHAB C[C@H]1CCCN(CCCCNC(=O)c2ccc(F)cc2Br)C1 46991396 JNYISLPIQDXVMT-ZDUSSCGKSA-N 371.294 3.830 0 40 FHAB CN(C)c1ccnc(CNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 224194351 UTWKBLUQBLZANP-UHFFFAOYSA-N 373.766 3.537 0 40 FHAB Cc1cc(C)cc(NC(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)c1 224145916 BIMSKTZRURDWMZ-UHFFFAOYSA-N 368.485 3.794 0 40 FHAB COc1ccc([C@@H](C)NC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1 225813112 BVFVGXYIJMDCIA-OAHLLOKOSA-N 365.433 3.864 0 40 FHAB COc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1OC 225130135 OANMTXWESHHMJX-UHFFFAOYSA-N 372.446 3.913 0 40 FHAB O=C(NCc1cccnc1-c1cccs1)Nc1ccc2c(c1)OCO2 225762279 KLPREQOWSNTIFE-UHFFFAOYSA-N 353.403 3.861 0 40 FHAB C[C@H](NC(=O)COc1cccc2c1CCCC2)c1ccc2c(c1)OCCO2 222736777 LYDATPXWPODYRY-HNNXBMFYSA-N 367.445 3.593 0 40 FHAB CCc1ccc(N([C@H](C)C(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)cc1 220261645 STOKLQFARHRNRL-MRXNPFEDSA-N 374.506 3.659 0 40 FHAB COc1cccc(CN2CCC3(CCN(Cc4cccnc4)CC3)CC2)c1 96047247 DPHVRGLKFGLBMP-UHFFFAOYSA-N 365.521 3.968 0 40 FHAB O=C(C1CCCCC1)N1CCC(c2cccc(Nc3ncccn3)n2)CC1 257263074 LOGZGZXTKUQOLW-UHFFFAOYSA-N 365.481 3.902 0 40 FHAB C[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)c1ccc(C(F)F)nc1 657923402 UGIQSDONIOUCNF-CNDLSXRNSA-N 371.431 3.827 0 40 FHAB Cc1cccc2c1OCC[C@H]2NC(=O)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 664738854 WHZRNJJVMPLKLX-AKHDSKFASA-N 352.409 3.595 0 40 FHAB O=C(NCc1ccnc(-c2ccncc2)c1)c1ccc(OC2CCCC2)nc1 390827198 FOXJCCPLEJCLLL-UHFFFAOYSA-N 374.444 3.790 0 40 FHAB Cc1oncc1C(=O)Nc1ccccc1Cc1nc(-c2cccs2)no1 96358332 FBNJRSREDKFWCV-UHFFFAOYSA-N 366.402 3.938 0 40 FHAB Cc1nc(C(F)(F)F)sc1C(=O)NCc1ccc(-c2cc[nH]n2)cc1 685939942 ZKCYTADSBXBMCO-UHFFFAOYSA-N 366.368 3.790 0 40 FHAB CC(C)c1[nH]ncc1C(=O)OCC(=O)N[C@H](c1cccs1)C(C)(C)C 95369335 KPFFECDAIGSSAR-MRXNPFEDSA-N 363.483 3.655 0 40 FHAB Cc1ccc(CN2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cc1 1615153401 DVBQXIGWIRKVPA-QFIPXVFZSA-N 368.452 3.532 0 40 FHAB CC(C)Oc1cccc(-c2nnc(SCc3cccc(F)c3)n2N)c1 5082338 ISLDSDCTDRHMIR-UHFFFAOYSA-N 358.442 3.878 0 40 FHAB O=C(NCCC(=O)OCc1ncc(-c2ccccc2)o1)Nc1ccccc1 5804082 RXPAPQMGARDOOV-UHFFFAOYSA-N 365.389 3.597 0 40 FHAB O=C(c1ccsc1)N1CCC2(CCC(=O)N2Cc2ccccc2)CC1 12004369 JWGIBIZVVXVIDT-UHFFFAOYSA-N 354.475 3.546 0 40 FHAB CC(C)=C1[C@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]21 16956881 QFKKOOAREIAMNX-XRGAULLZSA-N 358.235 3.707 0 40 FHAB CN(C)C(=S)/N=c1\ss/c(=N\c2ccccc2)n1-c1ccccc1 18252090 DXNDTEDEDHZVKV-YGGBKCGDSA-N 372.544 3.580 0 40 FHAB COc1ccc(CN2C[C@@H](c3ccccc3)[C@@H]3NC(=O)CCCC[C@H]32)cc1 19712610 RSYQHVSONLEISK-XJUOHMSHSA-N 364.489 3.722 0 40 FHAB Cc1nc2ccc(F)cc2cc1C(=O)NCc1nnc(-c2ccccc2)o1 19718107 FXSPGBOEMZNUFP-UHFFFAOYSA-N 362.364 3.662 0 40 FHAB COc1cccc2cc(C(=O)Nc3ccccc3C(=O)N3CCCC3)oc12 19887867 YLTIFQSGXUSUIR-UHFFFAOYSA-N 364.401 3.930 0 40 FHAB CC(=O)Nc1ccc(Nc2cc(C3CCOCC3)nc(C3CC3)n2)cc1 1888879535 KLRUCUCJNRDCMV-UHFFFAOYSA-N 352.438 3.950 0 40 FHAB Cc1cn2nc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2n1 1888913747 BKHUXIFSMCDPKY-UHFFFAOYSA-N 354.719 3.962 0 40 FHAB O=S(=O)(Nc1ccc(F)cc1F)c1ccccc1OC(F)(F)F 33583825 DYYDGGQMWFHYBU-UHFFFAOYSA-N 353.268 3.664 0 40 FHAB CN(C)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 4231674 RIOKDQMQDMJBAL-UHFFFAOYSA-N 362.433 3.934 0 40 FHAB Cc1csc(NC(=O)CSc2ccc(-c3ccc(F)cc3)nn2)n1 5108031 CPDXRDWIQVHBGS-UHFFFAOYSA-N 360.439 3.778 0 40 FHAB COc1cccc(COc2cnc(C(=O)Nc3ccc(C)cc3)cc2O)c1 12169472 IPCMSFOIAWIDMJ-UHFFFAOYSA-N 364.401 3.936 0 40 FHAB CCC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(C)cc3C)ccc21 17248177 BAFZCOPPWGAUMY-UHFFFAOYSA-N 372.490 3.793 0 40 FHAB Cc1nc2cc(Nc3ncnc4c3ncn4C[C@H]3CCCO3)ccc2s1 2298117639 FHWDYTGDAQZOGX-CYBMUJFWSA-N 366.450 3.667 0 40 FHAB Fc1cc(F)c2nc(N3CCC[C@H](COc4cnccn4)C3)sc2c1 2298225465 VPIXYFCTBMDBFC-NSHDSACASA-N 362.405 3.660 0 40 FHAB O=C(O)c1cccc(OCCCSc2nnc(Cc3ccccc3)o2)c1 15422804 ZZUBHDMHLVKHMP-UHFFFAOYSA-N 370.430 3.920 0 40 FHAB Cc1ccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1-n1cccc1 30217819 BYWYICXSNGJRTK-UHFFFAOYSA-N 370.456 3.961 0 40 FHAB Cc1ccc(NC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)cc1F 40128553 VCGJCBLYGDWJTB-UHFFFAOYSA-N 373.409 3.926 0 40 FHAB Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccccc1 812951 ZHYPTJDIRUJUST-UHFFFAOYSA-N 358.854 3.866 0 40 FHAB O=C(Nc1ccc(F)cc1)N1CCC(n2nnc3cc(F)ccc32)CC1 1380767 FSEFIXJSYJONLP-UHFFFAOYSA-N 357.364 3.579 0 40 FHAB Cn1c(=O)c(C(=O)c2ccccc2)c2c3c(cccc31)C(=O)c1ccccc1-2 1823069 ZWGSMJQVTOURMR-UHFFFAOYSA-N 365.388 3.981 0 40 FHAB biogenic COc1cccc2c(=O)n(CC(=O)Nc3c(C)cc(C)cc3C)ccc12 2706569 XZPNLJPMDULRNK-UHFFFAOYSA-N 350.418 3.574 0 40 FHAB NS(=O)(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 3260050 ZRFIKPZSJCAIRS-UHFFFAOYSA-N 361.426 3.611 0 40 FHAB C[C@@H](OC[C@@H](O)CN(C)CCOc1ccccc1)c1ccc(Cl)cc1 4195224 OCSMUQVEZDDREZ-APWZRJJASA-N 363.885 3.789 0 40 FHAB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)NCc1ccccn1 4676345 OUQISPQYSJXHPU-UHFFFAOYSA-N 359.429 3.843 0 40 FHAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(F)cc2)n2ncnc2N1 4704191 UMFLXCVADSULPQ-GOSISDBHSA-N 363.396 3.653 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2C)c1C 4860439 AAKKQRGQCVBPRU-UHFFFAOYSA-N 356.451 3.731 0 40 FHAB COc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)cc1 4973984 UQADXORURIJRAI-IBGZPJMESA-N 370.449 3.975 0 40 FHAB COc1cccc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3cccs3)C2)c1 5069620 MXVLEXQTLBBJGN-MRXNPFEDSA-N 372.446 3.689 0 40 FHAB O=C(Cc1ccc(F)cc1)Nc1ccc(-c2cn3c(n2)SCC3)cc1 5083911 XLCGFTOHNGVZTR-UHFFFAOYSA-N 353.422 3.976 0 40 FHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1 5120340 BYPWZFZMYGMUKR-UHFFFAOYSA-N 360.262 3.823 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc2nc(C)sc2c1 5578194 JOZHCQCIBBPXDJ-UHFFFAOYSA-N 370.430 3.833 0 40 FHAB CC(C)NC(=O)CSc1nnc(-c2ccccc2F)n1C1CCCC1 5860729 URDBSQUNJSOTER-UHFFFAOYSA-N 362.474 3.816 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)NCc3ccc(F)cc3)o2)cc1 5862012 IHIYVHRGFOYOJJ-UHFFFAOYSA-N 357.410 3.593 0 40 FHAB COc1cccc(-c2csc(NC(=O)c3ccc4c(c3)OCCO4)n2)c1 6451533 KZYNETFGNJGGKZ-UHFFFAOYSA-N 368.414 3.842 0 40 FHAB COc1cccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 6652727 OLVBSBTZDOZPGX-UHFFFAOYSA-N 364.367 3.676 0 40 FHAB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\C=C\c2ccco2)C1=O 6654521 ARFUAQVUKAEBSO-GHXLPOHCSA-N 362.451 3.521 0 40 FHAB CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@@H]1c1ccc(O)c(OCC)c1 6747897 CMHSRUSSCNGPLX-IBGZPJMESA-N 367.405 3.729 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)COc1cccc(C(F)(F)F)c1 6938920 BLSMRTRKGSAFDJ-LBPRGKRZSA-N 353.340 3.970 0 40 FHAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(-c3ccccc3)[nH]n2)cc1 7028565 NDISSWQQIUYZEC-CQSZACIVSA-N 364.401 3.904 0 40 FHAB COc1ccc(Br)cc1S(=O)(=O)Nc1cccc(C)c1 7052672 HNMKBXLNKBBLHO-UHFFFAOYSA-N 356.241 3.567 0 40 FHAB Cc1occc1-c1nnc(S[C@@H](C(=O)NC2CC2)c2ccccc2)o1 7086657 HRVVJNAQXTVZTB-OAHLLOKOSA-N 355.419 3.750 0 40 FHAB C[C@H](NC(=O)Cn1ccc(C(F)(F)F)n1)C12CC3CC(CC(C3)C1)C2 7265210 RYYVHMNVYXXHDC-GVMDUPDNSA-N 355.404 3.623 0 40 FHAB COc1ccc(C(C)(C)C)cc1NC(=O)CCNC(=O)c1ccccc1 7348784 BWPOKFXHJMGIRG-UHFFFAOYSA-N 354.450 3.751 0 40 FHAB O=C(CCCn1c(=O)oc2ccccc21)Nc1nc2ccccc2s1 7767366 ZKSHJIAFIOQNEE-UHFFFAOYSA-N 353.403 3.623 0 40 FHAB O=C(Nc1cccc(F)c1)c1nn(-c2ccccc2)c(=O)c2ccccc12 8133939 DOKXCQBNKNUVIO-UHFFFAOYSA-N 359.360 3.777 0 40 FHAB C[C@@H]1Oc2c(C(=O)Nc3ccc(N4CCOCC4)cc3)cccc2[C@@H]1C 8193385 ZHFOXEVZTHBWOS-CABCVRRESA-N 352.434 3.660 0 40 FHAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cccc(OCC(=O)O)c1 8215280 BOJAPVXZWLMKOU-LBPRGKRZSA-N 363.797 3.518 0 40 FHAB C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1cccc2ccccc12 8313717 ZFWKPLDWCKQDER-CQSZACIVSA-N 353.443 3.734 0 40 FHAB Cc1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)c1 8413775 UXODEGDMJTWKBM-UHFFFAOYSA-N 374.824 3.549 0 40 FHAB O=C(O)c1cccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 8470078 UKOUXLHFAGBMLQ-UHFFFAOYSA-N 360.369 3.889 0 40 FHAB CCOc1ncccc1C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 8776298 XHOZQXYGKWGNPQ-UHFFFAOYSA-N 369.402 3.585 0 40 FHAB Cc1nn2c(C)c(C(=O)N3CCCCC3)nnc2c1-c1ccc(Cl)cc1 8991959 WDENWVYWRISXBN-UHFFFAOYSA-N 369.856 3.688 0 40 FHAB O=C(NC[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1cccc(Cl)c1 9039790 GIBOEHAPBNMBKF-GFCCVEGCSA-N 361.804 3.654 0 40 FHAB COC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 9063106 NDRYTVBYVYTYAU-UHFFFAOYSA-N 366.461 3.632 0 40 FHAB Cc1ccc(NC(=O)CCc2c(C)nn(C)c2C)c(Br)c1 10516005 RPGMJWNVAMBUCW-UHFFFAOYSA-N 350.260 3.679 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1ccc(C)cc1C 10684128 YJHCHPVWTRLOIL-MRXNPFEDSA-N 354.450 3.849 0 40 FHAB CSc1ccccc1NC(=O)CCCS(=O)(=O)Cc1ccccc1 10689151 HIOZKEPUHNCGEM-UHFFFAOYSA-N 363.504 3.742 0 40 FHAB O=c1c2cc(Br)ccc2ncn1Cc1cccc2cccnc12 11365443 FOVCSURHCATUQK-UHFFFAOYSA-N 366.218 3.756 0 40 FHAB CC(=O)N[C@H](C)c1ccc(-c2csc(NC(=O)c3cc(C)no3)n2)cc1 12048181 HQNSZGWIIIPNSP-LLVKDONJSA-N 370.434 3.556 0 40 FHAB Cc1noc(C)c1C(=O)N1CCC(C(=O)c2nc3ccccc3s2)CC1 12132162 UDPBROGDBRPPFG-UHFFFAOYSA-N 369.446 3.636 0 40 FHAB C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)C(C)(C)O2)c1ccc2c(c1)CCC2 12194628 XTASWRPMADHPLG-CYBMUJFWSA-N 364.445 3.776 0 40 FHAB Cc1cc(F)ccc1NC(=O)C1CCN(c2cnc3ccccc3n2)CC1 12414757 GFBNUPGUHMITKS-UHFFFAOYSA-N 364.424 3.932 0 40 FHAB O=C(Nc1nc(-c2cccs2)cs1)c1ccc(-n2cccn2)nc1 12748346 BXHIAWUOHMIPFB-UHFFFAOYSA-N 353.432 3.705 0 40 FHAB COc1ccccc1CNC(=O)C1C[C@@H]2CC[C@H](C1)C21SCCS1 12772191 JCNMPVURJZUQJL-MQVJKMGUSA-N 363.548 3.924 0 40 FHAB O=C(CSc1n[nH]c(/C=C/c2ccccc2)n1)N1CCCCCCC1 12836774 ZNLRUSZCEUDKQT-VAWYXSNFSA-N 356.495 3.860 0 40 FHAB CN(C)C1(CNC(=O)COc2ccc3ccccc3c2)CCCCCC1 12887090 SELQYILZCHNWLK-UHFFFAOYSA-N 354.494 3.989 0 40 FHAB COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)c2cccc(Cl)c2)c1 14021706 DHQKFXMLDPOGKZ-NSHDSACASA-N 363.797 3.541 0 40 FHAB COC(=O)c1cc(/C=C/C(=O)N(C)Cc2nc3ccccc3s2)oc1C 14197360 FTVVTENPXMYFJI-CMDGGOBGSA-N 370.430 3.656 0 40 FHAB CCN(C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccccc1 16339552 WBMXMTOGFRQPDS-IBGZPJMESA-N 366.461 3.648 0 40 FHAB Nc1c(Cl)cc(NC(=O)CCn2c(=O)oc3ccccc32)cc1Cl 16490002 BITAYBVYEPEUIR-UHFFFAOYSA-N 366.204 3.512 0 40 FHAB Cc1cc(C)c([C@H]2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)c(C)c1 17112330 XKIAYCOTHLQRFY-MRXNPFEDSA-N 359.429 3.836 0 40 FHAB COc1cc(C)c(CN2C[C@@H]3[C@@H](CC[C@@]3(O)c3ncccc3C)C2)cc1C 19237848 YSHMFCWQVNMUHN-NOXFTYBFSA-N 366.505 3.745 0 40 FHAB Clc1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1 19333915 PAIOQJMXBNUFRB-UHFFFAOYSA-N 355.829 3.560 0 40 FHAB CC(C)c1cc(C(=O)N[C@@H](C)c2cc3cc(Cl)ccc3o2)nc(=O)[nH]1 19452473 ABNZIDKJJQNGRR-JTQLQIEISA-N 359.813 3.784 0 40 FHAB COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)C1CCCC1 19570912 CFTOWRCGXKZYFU-GOSISDBHSA-N 353.466 3.624 0 40 FHAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1cccc(Cl)c1 19937610 MHBJNYUMZLNUGQ-UHFFFAOYSA-N 374.227 3.925 0 40 FHAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cc(Cl)c[nH]1 21530774 ZZKOZINQPKHRNS-UHFFFAOYSA-N 355.829 3.905 0 40 FHAB Cc1cc(=O)c(C(=O)N(C)Cc2ccsc2)nn1-c1ccc(Cl)cc1 21637419 HVFPZOWYNPSQNQ-UHFFFAOYSA-N 373.865 3.528 0 40 FHAB CCCn1c(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)nc2ccccc21 22233123 XIWWSTOXRFVVKC-SCLBCKFNSA-N 351.406 3.613 0 40 FHAB COc1ccc2c(c1)CCCN2C(=O)c1cccc(OC[C@H]2CCCO2)c1 22614810 KCUQPFBESJJYHJ-HXUWFJFHSA-N 367.445 3.846 0 40 FHAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1c(C)cc2ccccc21 22622482 ZRSVWLAUBVHXDL-UHFFFAOYSA-N 364.445 3.770 0 40 FHAB CCc1cccc(NC(=O)Cn2cnc3c(sc4ccccc43)c2=O)c1 23119170 QWAGQQISSOSUFE-UHFFFAOYSA-N 363.442 3.812 0 40 FHAB CCOC(=O)N1CCC(C(=O)N2CC[C@H](C)Sc3ccccc32)CC1 24585172 ANKCHMVSYDROCD-AWEZNQCLSA-N 362.495 3.772 0 40 FHAB O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NC[C@@H]1CCCO1 24986701 DKBSKWQBVJLCRO-LBPRGKRZSA-N 369.248 3.876 0 40 FHAB Cc1cc(N2CCOCC2)ccc1N[C@@H](C)C(=O)c1c[nH]c2ccccc12 27180877 DVUYIUFDCKRIHH-INIZCTEOSA-N 363.461 3.996 0 40 FHAB CN(C)C(=O)[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)c2ccccc2O1 27374596 SMVWNCLFSGTRDB-QGZVFWFLSA-N 364.367 3.561 0 40 FHAB Cc1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)c(C)n1CC(F)(F)F 27688520 HCOZSPUOSXJENS-LLVKDONJSA-N 368.355 3.887 0 40 FHAB CC(C)c1ccc([C@H](CNC(=O)c2ccccc2)N2CCOCC2)cc1 28291023 NCYZNXJGYKJSIG-NRFANRHFSA-N 352.478 3.613 0 40 FHAB C[C@H]1C[C@@H](C)CN(CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C1 30921345 HNLJQNODBFXMSU-HLLBOEOZSA-N 355.438 3.528 0 40 FHAB COc1ccccc1CNC(=O)NCCSc1ccc(Cl)cc1 30991238 YVAQJXFKMVPCLP-UHFFFAOYSA-N 350.871 3.940 0 40 FHAB COc1ccc(C(=O)[C@H](C)Sc2ccc(C(=O)N3CCCC3)cn2)cc1 32789448 YGSSKTGAZGUFGK-AWEZNQCLSA-N 370.474 3.690 0 40 FHAB CNC(=O)c1ccc(CNC(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)cc1 32795305 ZUXBHOFAGWYCTE-GOSISDBHSA-N 373.884 3.896 0 40 FHAB C[C@H]1C[C@H](OC(=O)c2cc3sc(Nc4ccccc4)nc3s2)C(=O)O1 32850671 YDJSBMUDKCSLGQ-ONGXEEELSA-N 374.443 3.962 0 40 FHAB CCN(CC)[C@H](CNC(=O)/C=C/c1ccc(OC)cc1)c1ccccc1 32902445 FRGJPJSKAOOHCX-RDOKFVIMSA-N 352.478 3.908 0 40 FHAB O=C([C@H]1COc2ccccc2O1)N1CCC[C@@H]1c1nc2ccccc2s1 32960770 IRFHVSAFAOHSOA-RHSMWYFYSA-N 366.442 3.800 0 40 FHAB Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3c(C)cccc3C)n2)cc1C 35146714 VAYLXPUKDONVLE-UHFFFAOYSA-N 361.445 3.783 0 40 FHAB CC(C)c1ccc(NC(=O)C[C@H]2NC(=O)c3ccccc3N=C2O)cc1 36595027 KQHIUSZHOQSVST-QGZVFWFLSA-N 351.406 3.539 0 40 FHAB biogenic COc1ccc(C(=O)CSC2=N[C@@H]3Nc4ccccc4[C@H]3N=N2)cc1 38536844 HPLDVWRPFLMWHS-SJORKVTESA-N 352.419 3.926 0 40 FHAB O=C(Nc1cccc(Cl)c1)Nc1nccn(-c2ccc(F)cc2)c1=O 38653706 UFLLDKNIFVLQME-UHFFFAOYSA-N 358.760 3.669 0 40 FHAB Cc1csc(=O)n1CCC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 40107078 NCMDOQMDMGUVMN-UHFFFAOYSA-N 373.409 3.573 0 40 FHAB CCc1nn2c(nnc3c(=O)n(C(C)C)ccc32)c1-c1ccc(Cl)cc1 40395876 SYNLYOXQUCHJQK-UHFFFAOYSA-N 367.840 3.903 0 40 FHAB Cc1ccnc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c1 41817821 CVNOISQFNIYTLA-XDHFQJGLSA-N 367.493 3.536 0 40 FHAB Cc1cc(C)c(OCC(=O)NCc2cn3cc(Cl)ccc3n2)c(C)c1 42798164 SGFGAXUTYLVASZ-UHFFFAOYSA-N 357.841 3.608 0 40 FHAB C[C@@H](NC(=O)NC1CCC2(CC1)OCCO2)c1ccc2c(c1)CCCC2 43861378 DOQJLNXJKAKAFQ-OAHLLOKOSA-N 358.482 3.611 0 40 FHAB CC(C)n1ncc2cc(NC(=O)N[C@@H](C)CCc3ccc(O)cc3)cnc21 48064181 VAIBYMBVQOKABN-AWEZNQCLSA-N 367.453 3.861 0 40 FHAB COc1ccccc1[C@@H](NC(=O)c1ccccc1Cl)c1nccn1C 48302447 RUDOYNDIJFWDDK-QGZVFWFLSA-N 355.825 3.602 0 40 FHAB CC(C)C(=O)N1CCCC[C@H]1C(=O)N(C)Cc1ccc2ccccc2c1 55170931 BSAKCGMCKNXZBB-FQEVSTJZSA-N 352.478 3.835 0 40 FHAB O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)N1CCc2ccc(O)cc2C1 57188150 NIYUJECONCICBT-PMACEKPBSA-N 370.424 3.519 0 40 FHAB Cc1[nH]c2ccc(C(=O)OCc3nc4c(C)cccc4c(=O)[nH]3)cc2c1C 57565321 NVCGPDLNONJUMV-UHFFFAOYSA-N 361.401 3.687 0 40 FHAB Cc1nc(-c2cccc(NC(=O)NC[C@H](C)N(C)c3ccccc3)c2)no1 58392053 BROFECBNVJIQQL-AWEZNQCLSA-N 365.437 3.691 0 40 FHAB Cc1ncsc1C(=O)NCc1ccc(CN2CCc3ccccc32)cc1 59012868 PSIKERPEGIOPPW-UHFFFAOYSA-N 363.486 3.944 0 40 FHAB CC(C)N(Cc1ccccc1)C(=O)C[C@H]1Sc2ccccc2NC1=O 59849366 HYUFKWNQXAEZKK-GOSISDBHSA-N 354.475 3.927 0 40 FHAB CCOc1ccc2c(c1)C=C(C(=O)Nc1nnc(C(C)(C)C)s1)CO2 65474392 WQLSYUUVYFJVBS-UHFFFAOYSA-N 359.451 3.649 0 40 FHAB COC(=O)C1=C(C)N(C)C(=O)N(C)[C@H]1c1cc(-c2ccccc2)cs1 69983019 RCROYPINLNBAQL-KRWDZBQOSA-N 356.447 3.900 0 40 FHAB CN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(Cl)cc1Cl 72228391 HCWJPXUQWKMPEJ-CABCVRRESA-N 350.201 3.989 0 40 FHAB O=C(Nc1ccn(Cc2cccc(F)c2)n1)c1cc(-c2cccs2)[nH]n1 72265255 GRONOLJTBPLFRY-UHFFFAOYSA-N 367.409 3.774 0 40 FHAB COc1cccc([C@@H](C)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 72270995 FFEQFVLSMRQJQK-OAHLLOKOSA-N 358.869 3.868 0 40 FHAB O=C(COC(=O)c1cc(F)ccc1Cl)NCCc1ccc(Cl)cc1 72330143 LAVOASGFEGILOJ-UHFFFAOYSA-N 370.207 3.648 0 40 FHAB O=C(c1cc[nH]n1)N1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 72349773 CORLVPNVEGFBRJ-OAHLLOKOSA-N 350.397 3.631 0 40 FHAB CC(=O)N1CCC[C@H]1c1cc(CCOc2cccc(C(F)(F)F)c2)[nH]n1 72378308 YFUIJJZDIQRFOY-KRWDZBQOSA-N 367.371 3.733 0 40 FHAB CCC(CC)c1cc(C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)on1 75107354 NCLFMCVLRKMYNL-RTBURBONSA-N 367.493 3.782 0 40 FHAB O=C(c1nccnc1-c1nc2ccccc2s1)N1C[C@H]2CC=CC[C@H]2C1 76022915 LLPNUPMXJLKICA-OKILXGFUSA-N 362.458 3.792 0 40 FHAB COC(=O)CC1(NC(=O)Nc2nc(-c3cccnc3)cs2)CCCCC1 79050727 SDTDMGNVZJYQKA-UHFFFAOYSA-N 374.466 3.593 0 40 FHAB O=S(=O)(CCCSc1ncc2ccccn12)c1ccc(Cl)cc1 84606508 ATYPPYCNERXPDA-UHFFFAOYSA-N 366.895 3.944 0 40 FHAB CN(CCN1CCCC1)[C@H](c1ccccc1)c1nc(-c2ccccc2)no1 89899976 ZBOJBHKBPMQYPE-HXUWFJFHSA-N 362.477 3.854 0 40 FHAB c1ccc2c(c1)[C@@H](N[C@@H]1CCOC1)CC21CCN(Cc2nccs2)CC1 96241487 YZYFEDWDMSHYBV-APWZRJJASA-N 369.534 3.500 0 40 FHAB CCOc1ccccc1-c1noc(COc2ccc(CCC(=O)O)cc2)n1 97166005 UNJQFGOHDQOKQE-UHFFFAOYSA-N 368.389 3.732 0 40 FHAB CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 103718585 HTZDDPNUPZMERB-INIZCTEOSA-N 352.434 3.775 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)COc2ccc(Cl)c(C)c2)cc1 218938913 VBSVUSVIPZWQRB-AWEZNQCLSA-N 363.841 3.620 0 40 FHAB COc1cc(C)c(S(=O)(=O)NCCCc2ccco2)cc1C(C)C 223542221 SWTLJYVGDBBZCE-UHFFFAOYSA-N 351.468 3.631 0 40 FHAB Cc1ccc(OCCNC(=O)CCc2nc3cc(C)ccc3o2)c(C)c1 224947530 ITRGZVNBAFQFCT-UHFFFAOYSA-N 352.434 3.881 0 40 FHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(F)(F)F)cc2)cc1F 225113432 JMEDVVYTOYZIOJ-UHFFFAOYSA-N 363.332 3.678 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(SC(C)C)s1 225289245 VEGRIPPLPHRJGJ-GFCCVEGCSA-N 355.460 3.974 0 40 FHAB Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2F)cc1 225313077 RPQRROWGIWFZJM-UHFFFAOYSA-N 356.422 3.803 0 40 FHAB CCCOC(C)(C)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 225837436 BSNBGGVLRCXOCC-ZDUSSCGKSA-N 351.443 3.794 0 40 FHAB CCOC(=O)COc1ccc(NC(=O)C2(c3ccc(C)cc3)CC2)cc1 225940446 DJAXBTVZFZNIQL-UHFFFAOYSA-N 353.418 3.607 0 40 FHAB C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)C(Cl)(Cl)Cl 226253731 SQHSMSRNABIPCV-VIFPVBQESA-N 350.677 3.956 0 40 FHAB COc1ncccc1C(=O)N1CCC[C@H](Cc2ccnc3ccccc23)C1 257228961 FVZWFINOMRQFBL-MRXNPFEDSA-N 361.445 3.733 0 40 FHAB Cc1noc(C)c1-c1cc(CC2CCN(Cc3ccncc3)CC2)ncn1 257337443 YSTZCFXJCGSYEW-UHFFFAOYSA-N 363.465 3.598 0 40 FHAB CCCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 409411249 VGCCKFMYZNVWDY-UHFFFAOYSA-N 374.506 3.943 0 40 FHAB Cc1ccc2c(c1)[C@H](CCO)O[C@H]([C@@H](C)c1cc(O)c(C)c(=O)o1)[C@@H]2C 514288046 KYRDITCXPNFIBT-KJNPBUOASA-N 358.434 3.692 0 40 FHAB biogenic,in-vitro CCc1oc2ccccc2c1CC(=O)N1CCC(n2cncc2C)CC1 529058211 IQYJNKAYPUMHFS-UHFFFAOYSA-N 351.450 3.906 0 40 FHAB O=C(NCc1cccc(CO)c1)N1CC=C(c2cccc3ccccc23)C1 542749291 BKZKCTXVYGNAQT-UHFFFAOYSA-N 358.441 3.941 0 40 FHAB Cn1ccnc1[C@@H](NC1CCC(O)(c2cccc(Cl)c2)CC1)C1CC1 585081836 KAMGFJSCRLASRS-FDYSRKEFSA-N 359.901 3.945 0 40 FHAB O=C1CCCCN1CC1CCN(C(=O)c2c[nH]cc2-c2ccccc2)CC1 605527559 QTYQHQWTDLCRNC-UHFFFAOYSA-N 365.477 3.546 0 40 FHAB O=C(CCc1cccc2ccccc12)N1CCC(Oc2nncs2)CC1 675008140 DNOXOVJRROQDCI-UHFFFAOYSA-N 367.474 3.694 0 40 FHAB O=C(O)c1cccc(CC(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1 679093293 LHYBJNMULIYKDD-SFHVURJKSA-N 362.429 3.815 0 40 FHAB CC1(C)C[C@@H]2CN(C(=O)c3ccccn3)CC[C@@H]2N1c1ccc(F)cc1 1615161150 VWAJAARPOZGKHC-BEFAXECRSA-N 353.441 3.740 0 40 FHAB CN(C)c1cccc(C(=O)NC[C@H](O)c2ccc(-c3cccs3)o2)c1 1775967959 HBRAPPLCWJKFKF-HNNXBMFYSA-N 356.447 3.538 0 40 FHAB O=C(C1CCN(c2nccc3sccc23)CC1)N1CCC(F)(F)CC1 1889117825 SCUNJPLWGJBGRD-UHFFFAOYSA-N 365.449 3.770 0 40 FHAB COc1cccc(-c2nc(C(=O)Nc3ccccc3O)cs2)c1OC 29568277 MURVJFCAQHGGAZ-UHFFFAOYSA-N 356.403 3.785 0 40 FHAB COc1cccc([C@@H](CCc2cc(OC)c(OC)c(OC)c2)NC(C)=O)c1 1668920 WZFKZEAMKSEXAH-GOSISDBHSA-N 373.449 3.531 0 40 FHAB O=C(NCc1ccc(Cl)cc1)c1cc(-c2ccc3c(c2)OCO3)on1 2465575 LVPGDUZAXRSABI-UHFFFAOYSA-N 356.765 3.654 0 40 FHAB Cc1nc2cc(Cl)ccc2cc1C(=O)NCc1cccnc1N(C)C 32690497 BVORLSWXLFKFRM-UHFFFAOYSA-N 354.841 3.588 0 40 FHAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3cccs3)cc21 8959456 ANCZPDFGYRYLGM-UHFFFAOYSA-N 358.463 3.701 0 40 FHAB COC(=O)c1ccc(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)nc1 29840123 IMEYZIHPWKNDKO-HXUWFJFHSA-N 372.424 3.656 0 40 FHAB COc1ccc(-c2noc(COC(=O)c3cc(Cl)ccc3OC)n2)cc1 8573706 UGGCDKUKRQRNRI-UHFFFAOYSA-N 374.780 3.764 0 40 FHAB Cc1oc(-c2ccccc2)nc1C(=O)NC[C@@H](O)c1cccc(Cl)c1 46863521 RHJWJCSPLRHXKD-MRXNPFEDSA-N 356.809 3.767 0 40 FHAB C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCN(Cc2ccsc2)CC1 22933231 DMNZUMGMQWDZDE-CQSZACIVSA-N 363.914 3.546 0 40 FHAB COc1ccc(NC2=C(Cl)C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 958087 LEYLAHYPDVIHMX-UHFFFAOYSA-N 356.809 3.748 0 40 FHAB Clc1ccc(-c2noc(CN3CCN(Cc4ccccc4)CC3)n2)cc1 23424580 KHJAIOZFRPVFKR-UHFFFAOYSA-N 368.868 3.708 0 40 FHAB Fc1ccc(-c2nnc3sc([C@@H]4COc5ccccc5O4)nn23)cc1 1016539 NHKJEYJACBRRFO-AWEZNQCLSA-N 354.366 3.504 0 40 FHAB CC[C@H](NS(=O)(=O)c1c(C)cc(OC)cc1C)c1ccc(OC)cc1 116926718 QCYSQKKBDSACQZ-SFHVURJKSA-N 363.479 3.750 0 40 FHAB CCOc1ccc(-c2cnc(NCc3ccccn3)n2CCOC)cc1 105945424 HDADDNZVKPNLAO-UHFFFAOYSA-N 352.438 3.602 0 40 FHAB O=C1C[C@@H](c2ccsc2)c2c(c(C(=O)O)cn2-c2cc(F)cc(F)c2)N1 61718895 MGHVNLNPCUCJAQ-ZDUSSCGKSA-N 374.368 3.989 0 40 FHAB CCN(c1ccc(NC(=O)c2cnc3c(c2)c(C)nn3C)cc1)C(C)C 12538093 LLYFCMCHXPZYAY-UHFFFAOYSA-N 351.454 3.764 0 40 FHAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(OC)cc1)O[C@H](C)C2 12586857 VBTPMBVOKVPRKW-KGLIPLIRSA-N 370.449 3.856 0 40 FHAB O=C(NCc1ccc(-n2cccn2)nc1)c1cccc(Oc2ccccc2)c1 12527998 OLAYPGREUCMIJP-UHFFFAOYSA-N 370.412 3.990 0 40 FHAB COc1cc(Br)c(CN[C@H](C)Cc2ccco2)cc1OC 35254503 DAUXPMSWOIGOCQ-LLVKDONJSA-N 354.244 3.780 0 40 FHAB Cc1ccc(N2CC3=C(C2=O)[C@H](c2ccc(Cl)cc2)NC(=O)N3C)cc1 35326458 URHNPHMIUXNJPC-SFHVURJKSA-N 367.836 3.645 0 40 FHAB COC(=O)C1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 44192847 ZIDCCMBOYKONQY-UHFFFAOYSA-N 370.430 3.582 0 40 FHAB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3=C(C)C)[C@H]2C1=O 100844256 QUGHVESQNBDHPS-HZVDNRATSA-N 365.429 3.546 0 40 FHAB Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)[C@@]2(C)C[C@H]3C=C[C@H]2C3)c1 112249985 HQAQVMMEURRGKW-HTZUNMPGSA-N 364.449 3.820 0 40 FHAB O=C(CCOc1ccccc1)OCC(=O)c1ccc(Br)cc1 3243013 XJJAQOIIWKTEPM-UHFFFAOYSA-N 363.207 3.644 0 40 FHAB C[C@H](NC(=O)CCOCc1ccccc1)c1nc(-c2ccc(F)cc2)no1 58223247 RACWESCLLCBVEM-AWEZNQCLSA-N 369.396 3.660 0 40 FHAB Cc1cc(C)cc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c1 2184754 ZIDMPWIJYFAAAZ-UHFFFAOYSA-N 352.415 3.823 0 40 FHAB Cc1cccn2cc(-c3ccc(NC(=O)/C=C/c4cnn(C)c4)cc3)nc12 58382949 DOCWIDRKZIOEHF-BJMVGYQFSA-N 357.417 3.695 0 40 FHAB COc1ccccc1N1CCN(CC(=O)C23CC4CC(CC(C4)C2)C3)CC1 58369498 WYANVGQNJAPSLR-UHFFFAOYSA-N 368.521 3.603 0 40 FHAB CCCC(=O)N1CCCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 58439140 JHRFLFFPRPBANN-UHFFFAOYSA-N 366.461 3.954 0 40 FHAB O=C1NCc2ccc(NCc3nc(-c4ccc(C(F)(F)F)cc4)no3)cc21 58470259 AXATVUDNBHLHIR-UHFFFAOYSA-N 374.322 3.611 0 40 FHAB CCC[C@H](NC(=O)[C@@H](C)OC(=O)c1ccc(C)c(O)c1)c1ccccc1 10981182 IFNDZMZNWONJEI-QAPCUYQASA-N 355.434 3.904 0 40 FHAB Cc1ccc(Cl)c(OCC(=O)NCc2ccc(Cn3ccnc3)cc2)c1 28694695 CBFWKKMMSNPTPN-UHFFFAOYSA-N 369.852 3.588 0 40 FHAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1ccncc1 28643580 WZDMQINOKXZAKN-UHFFFAOYSA-N 358.401 3.649 0 40 FHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 26527518 FFHOEYPSLIMUDK-UHFFFAOYSA-N 360.218 3.581 0 40 FHAB CC(C)(C)NC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12 3366127 IJLATTDZSQSOKF-UHFFFAOYSA-N 359.426 3.791 0 40 FHAB Cc1cccc(COc2cccc(C(=O)Nc3ccccc3C(N)=O)c2)c1 12735332 GBZPROXWVOEMBR-UHFFFAOYSA-N 360.413 3.925 0 40 FHAB CC(C)c1noc(CSc2nc(COc3ccc(Cl)cc3)n[nH]2)n1 12774893 JKEQTEBFFOVUAB-UHFFFAOYSA-N 365.846 3.836 0 40 FHAB O=C(NCCc1cccc2cccnc12)[C@H]1COc2ccc(Cl)cc2C1 12798066 CMGFYGSOKBQCOQ-QGZVFWFLSA-N 366.848 3.798 0 40 FHAB O=C(C[C@H]1C=CCC1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 48324024 WDDJICQDRJYCNB-ZDUSSCGKSA-N 367.276 3.634 0 40 FHAB CCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccncc1 48325769 VLIVSBDSKAXLQR-LLVKDONJSA-N 358.471 3.894 0 40 FHAB COc1ccc(Nc2nnc(SCC(=O)N[C@@H](C)C(C)C)s2)cc1 3542304 KHIBBVVIOUCBHL-NSHDSACASA-N 366.512 3.543 0 40 FHAB O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2CN(Cc3ccoc3)C[C@@H]21 306130687 JNAYRQDIYAATRT-HKUYNNGSSA-N 371.483 3.763 0 40 FHAB COC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2onc(C(C)C)c12 8391747 REJAGOKITIUZLS-UHFFFAOYSA-N 356.378 3.817 0 40 FHAB COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc1 13477780 IECONGJAZOYYLQ-BXSJSEAGSA-N 372.465 3.691 0 40 FHAB CC[C@H](Oc1ccccc1OC)C(=O)NCc1ccc(OC(C)C)cc1 113960440 KMNLYHLLUNTNML-SFHVURJKSA-N 357.450 3.956 0 40 FHAB CC(C)CC[C@@]1(C)NC(=O)N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O 4307770 SFBCEGXRRMQIJE-IBOPUYJASA-N 360.498 3.519 0 40 FHAB CC(C)c1ccc(NC(=O)CSc2nc3sccc3c(=O)[nH]2)cc1 8456442 IEBIMVKSAQFIHF-UHFFFAOYSA-N 359.476 3.839 0 40 FHAB Cc1cccc(N2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC2)c1C 5203372 SFVSADFKVJQRFJ-UHFFFAOYSA-N 351.425 3.886 0 40 FHAB O=C1C[C@@H](c2ccccc2)N(C(=O)c2cc3cc(Cl)ccc3[nH]2)CCN1 65514668 MSCZGJUVQIGNSL-SFHVURJKSA-N 367.836 3.525 0 40 FHAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC12CC3CC(CC(C3)C1)C2 14117525 UEEPBFKWYVLNHM-DSQUVOCVSA-N 366.505 3.607 0 40 FHAB O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1ccc(Cl)c(Cl)c1 4548788 CANIIWHTLWPLAM-UHFFFAOYSA-N 365.138 3.813 0 40 FHAB CCSc1nnc(S[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)s1 5450273 DPTJLRVEVRGXKJ-JTQLQIEISA-N 367.521 3.972 0 40 FHAB Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc3nc(C)c(C)nc3c2)c1 5507255 IAHSBEKFEIKPHM-OAHLLOKOSA-N 363.417 3.739 0 40 FHAB COc1ccc2c(C)cc(SCc3cc(=O)n4ccsc4n3)nc2c1 6652690 ISURSIYIQUYBGT-UHFFFAOYSA-N 369.471 3.914 0 40 FHAB CCCCNC(=O)N(O)[C@H]1N(CCCC)C(=O)N(CCC(C)C)C1(C)C 4869486 LKQXSHPFBSUDIP-MRXNPFEDSA-N 370.538 3.876 0 40 FHAB O=C(c1cc2c(=O)n3ccccc3nc2s1)N1CCC[C@@H]2CCCC[C@@H]21 6865100 LPJVWKXRNPXGQA-ZFWWWQNUSA-N 367.474 3.704 0 40 FHAB Cc1cc(=O)[nH]c(S[C@H](C)C(=O)N(c2ccccc2)c2ccccc2)n1 4999444 LUAVEMOCFPUFGX-OAHLLOKOSA-N 365.458 3.924 0 40 FHAB COc1ccc(NC(=O)c2cc(OC)c(Br)c(OC)c2)cc1 7071538 PDFKLNULPRBIOE-UHFFFAOYSA-N 366.211 3.727 0 40 FHAB Cc1cccc(C)c1NC(=O)CN[C@H]1CN(Cc2ccccc2)C(C)(C)C1 90167853 BXIUMDCHZYBTGY-HXUWFJFHSA-N 365.521 3.885 0 40 FHAB CN(CC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccc(Cl)cc1 7444735 LEPQMLCLTBKECI-UHFFFAOYSA-N 371.868 3.537 0 40 FHAB COC(=O)c1sc2nc(CSc3ccc(F)cc3)[nH]c(=O)c2c1C 7487046 YDLONWXNOWGMCX-UHFFFAOYSA-N 364.423 3.511 0 40 FHAB CC(C)[C@H](NC(=O)C1=Cc2ccccc2OC1)c1ccc2c(c1)OCCO2 15817613 SOUGMRZTGSVTAK-NRFANRHFSA-N 365.429 3.747 0 40 FHAB COc1cccc2sc(NC(=O)C[C@@H](NC(C)=O)c3ccccc3)nc12 8945938 WSJCFKAXBDQMOE-CQSZACIVSA-N 369.446 3.511 0 40 FHAB C[C@@H](C(=O)NC1CCCCCC1)n1c(S)nnc1-c1cccs1 83966979 RTBUVABKWFSGEP-NSHDSACASA-N 350.513 3.695 0 40 FHAB Cc1ccc(Cn2nc(C)c(CN(C)Cc3nccn3C)c2Cl)cc1 96003579 PCEJOHNVVSBUBX-UHFFFAOYSA-N 357.889 3.567 0 40 FHAB C[C@@H](NC(=O)COc1ccc2oc3c(c2c1)CCCC3)c1ccccn1 9366718 MTANUILNCUIGNW-CQSZACIVSA-N 350.418 3.963 0 40 FHAB CC(=O)c1ccc(N2CCN(C(=O)CCc3cccc(C)c3)CC2)c(F)c1 9367888 UBQZRQRUZDUBIG-UHFFFAOYSA-N 368.452 3.618 0 40 FHAB C[C@H](C(=O)NC(C)(C)C)[S@](=O)Cc1csc(-c2ccc(F)cc2)n1 71801126 HFAUKMWKBLTKLP-JNDILOIQSA-N 368.499 3.501 0 40 FHAB CCOc1ccc(OCCNC(=O)c2ccccc2C(F)(F)F)cc1 21837708 UTFYTZIEEBNDOZ-UHFFFAOYSA-N 353.340 3.913 0 40 FHAB CC(=O)c1ccc(NC(=O)C2(C)CCN(Cc3ccccc3)CC2)nc1 97101792 RKPWHHGVRPHBTC-UHFFFAOYSA-N 351.450 3.525 0 40 FHAB Cc1c(Cl)cc2c(oc(=S)n2[C@@H]2CC(=O)[C@H]3OC[C@@H]2O3)c1Cl 20295414 RBPUDUPCQGACEW-IDALBHDPSA-N 360.218 3.834 0 40 FHAB O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2CN(Cc3cccs3)C[C@H]21 306144100 YWFDSALJONPVCV-IEBWSBKVSA-N 371.483 3.763 0 40 FHAB CC(C)c1nc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c[nH]1 84622394 JPYQQEVGFPXJAE-UHFFFAOYSA-N 355.463 3.929 0 40 FHAB Cc1noc(C)c1[C@@H](C)NC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F 95421879 PGDXNCQLYFEPMG-YGRLFVJLSA-N 355.360 3.825 0 40 FHAB COc1ccc(NC(=O)c2cn(C)c3ccc(F)cc3c2=O)cc1Cl 22236352 FHBZXCOJNNKRGD-UHFFFAOYSA-N 360.772 3.592 0 40 FHAB O=C(NCCOc1ccc(Cl)cc1)NCc1ccccc1OC(F)F 9959262 AJFWREPZWIQPAM-UHFFFAOYSA-N 370.783 3.820 0 40 FHAB CC(C)CC[C@H]1CCCCN1c1ncnc2c1c(Br)nn2C 79107761 LEOVZKRHQKEQEY-GFCCVEGCSA-N 366.307 3.921 0 40 FHAB Cc1noc(C)c1CCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1 79480214 FSRQLXITLCREAG-UHFFFAOYSA-N 371.412 3.911 0 40 FHAB CC[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1)c1ccccc1 20048127 WWURRHCITGBZLJ-GOSISDBHSA-N 372.490 3.551 0 40 FHAB CCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 408548728 UAZDUZOKTBUNDJ-UHFFFAOYSA-N 360.479 3.552 0 40 FHAB Fc1ccc(CN2CCOC[C@H]2c2nc(-c3ccc(F)cc3)c[nH]2)cc1 67898736 XAUYGSXMKYJFID-IBGZPJMESA-N 355.388 3.928 0 40 FHAB biogenic,in-vitro Cc1csc2nc(COc3ccccc3NC(=O)C(C)(C)C)cc(=O)n12 35475914 BETBKMHHMHPOPB-UHFFFAOYSA-N 371.462 3.628 0 40 FHAB O=C(Nc1ccc2c([C@@H](C(=O)O)N3CCCC3)c[nH]c2c1)c1ccccc1 32088088 QYNKSXUBAAMIFM-IBGZPJMESA-N 363.417 3.642 0 40 FHAB NC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 30870025 ARMMSGJXAITXEX-UHFFFAOYSA-N 371.440 3.601 0 40 FHAB COc1ccc(/C=C2\SC(=O)N(CNc3ccc(F)cc3)C2=O)cc1 33688341 BCYYNGJTBHCDET-YBEGLDIGSA-N 358.394 3.940 0 40 FHAB O=C(CN1CCN(c2ccc(Cl)cc2)CC1)c1c[nH]c2ccccc12 34719966 DOVRHSWHZOZZSN-UHFFFAOYSA-N 353.853 3.826 0 40 FHAB O=C(Nc1ccc(Br)cc1)c1ccc(Cn2ccnc2)cc1 38834027 WIPDCZAYOIXBRK-UHFFFAOYSA-N 356.223 3.946 0 40 FHAB COc1cccc(-c2[nH]ncc2C(=O)NCCc2ccc(Cl)cc2)c1 72329237 FJRWBGOCDHFKRY-UHFFFAOYSA-N 355.825 3.711 0 40 FHAB Cc1ccnn1[C@H](C)C(=O)NCc1nc(-c2ccc(Cl)cc2)cs1 72243345 PNOAVJWOCCTBAJ-GFCCVEGCSA-N 360.870 3.846 0 40 FHAB CCN1CCN(Cc2ccc(NC(=O)CCc3cccc(F)c3)cc2)CC1 40107963 FCOXGKGTCNHYRZ-UHFFFAOYSA-N 369.484 3.535 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 223801746 OZTMBLRKAWHOSW-KRWDZBQOSA-N 370.468 3.538 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)c1 223659748 GGEXQTJWUZEVFC-UHFFFAOYSA-N 361.507 3.958 0 40 FHAB O=C(C[C@@H]1CCCC[C@H]1C(=O)O)c1ccccc1I 43879405 ZPGHWWKTVPATLX-WDEREUQCSA-N 372.202 3.755 0 40 FHAB CCOCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCC)c(C)n1 225894186 XXDGBMFNMZLBNO-LJQANCHMSA-N 352.475 3.585 0 40 FHAB COc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccccc3C)s2)cc1 225127390 FLESWDPONGRPKN-ZDUSSCGKSA-N 369.446 3.928 0 40 FHAB Cc1ocnc1C(=O)N1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 194123535 OLVBBYLHUGRCMV-ZDUSSCGKSA-N 368.433 3.783 0 40 FHAB COc1cccc([C@@H]2CN([C@@H](C(=O)O)c3cccc(Cl)c3)CCO2)c1 577380693 HXNARWQRBAJXHF-ZWKOTPCHSA-N 361.825 3.548 0 40 FHAB COc1cc(-c2ccnc3nc(C4CCCCC4)nn23)cc(OC)c1OC 95475514 CWQRPJXHWNXBEH-UHFFFAOYSA-N 368.437 3.865 0 40 FHAB C[C@]12CCCN(C(=O)c3ccc(Cc4ccc(F)cc4)nc3)[C@@H]1CCCN2 257334487 YGDZMRCYIYVMRC-IRLDBZIGSA-N 367.468 3.558 0 40 FHAB CCOc1ccc(C(=O)NCCCN2c3ccccc3C[C@H]2C)cc1C 260763839 HVTGREFVBAJIBD-QGZVFWFLSA-N 352.478 3.965 0 40 FHAB C=CC(=O)Nc1ccc(O)c(C(=O)N(C)[C@@H](CC)c2cccc(OC)c2)c1 1626973252 RSGCJFKASHHGHP-SFHVURJKSA-N 368.433 3.749 0 40 FHAB O=C(c1ccccc1)N1CC[C@H]2[C@@H](CCCN2C(=O)c2ccccc2F)C1 1775992386 RMEKCZOVSFKJFA-PXNSSMCTSA-N 366.436 3.593 0 40 FHAB CO[C@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccsc1 96097450 FSBLPONWYOJBGO-GFCCVEGCSA-N 366.291 3.721 0 40 FHAB CC[C@@H](C(=O)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1)c1ccccc1 390830457 LFWKHOSQDWTHMD-WOJBJXKFSA-N 371.502 3.569 0 40 FHAB Cn1cncc1C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 1337895530 WXSKCXQMPSBIPC-UHFFFAOYSA-N 359.473 3.958 0 40 FHAB CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H]2[C@@H]1CCCN2Cc1ccccc1 585261174 ZNEKIJOJQLLFAI-FKBYEOEOSA-N 352.453 3.805 0 40 FHAB CC(C)Sc1ccc(CC(=O)N2[C@H]3CC[C@H]2CC(n2cncn2)C3)cc1 822056913 MGKPXABXOJNHBZ-IRXDYDNUSA-N 370.522 3.716 0 40 FHAB CC[C@@H](CSC(F)(F)F)NC(=O)c1cncc(Br)c1 95918509 UHTWBHSNDCWUPA-VIFPVBQESA-N 357.195 3.606 0 40 FHAB CCc1noc(CC)c1CC(=O)N1CCC[C@H]1Cc1ccccc1OC 87219622 PQMGNFQHQPDFQZ-INIZCTEOSA-N 356.466 3.584 0 40 FHAB CCC[C@]1(CO)CCN(Cc2cn(C)nc2-c2cc3ccccc3o2)C1 585084706 XRVGUCWGFOSWHL-NRFANRHFSA-N 353.466 3.818 0 40 FHAB COc1ccc(/C=C/C(=O)NCCOc2cc(C)cc(C)c2)cc1OC 5697700 NTHJSMMPSREZSW-SOFGYWHQSA-N 355.434 3.529 0 40 FHAB c1cc(CNc2c3c(nc4cc(C5CCOCC5)nn24)CCCC3)ccn1 12088785 WONLVKLCYYNKCC-UHFFFAOYSA-N 363.465 3.509 0 40 FHAB Cc1c(Cl)cccc1NC(=O)CSc1nc2ccccc2c(=O)[nH]1 12372469 WZGYKTFLMDEVNR-UHFFFAOYSA-N 359.838 3.616 0 40 FHAB biogenic,in-vitro COc1ccc([C@H](C)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1OC 14220453 RGNWLDFLDFAXHP-HNNXBMFYSA-N 363.479 3.669 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 14871179 QRRYDAATARBFJY-AWEZNQCLSA-N 360.841 3.583 0 40 FHAB CCC(=O)Nc1ccc(NC(=S)NC(=O)c2cc(C)cc(C)c2)cc1 17073495 VQVFUYFXXZJHDT-UHFFFAOYSA-N 355.463 3.779 0 40 FHAB Cc1cc(C)n([C@H](C)C(=O)Nc2ncc(-c3ccc(C)c(C)c3)n2C)n1 19660651 DELLRVRLTIMSLF-MRXNPFEDSA-N 351.454 3.717 0 40 FHAB Cc1ccc(-c2cc(C(=O)N[C@H](Cn3ccnc3)C(C)(C)C)no2)cc1 19665387 RJZMTUGTTZXYMR-GOSISDBHSA-N 352.438 3.691 0 40 FHAB CCn1cc(-c2cncn2CC2(c3ccc(C)cc3)CCOCC2)cn1 19719597 GDTXETPKGMNXHK-UHFFFAOYSA-N 350.466 3.823 0 40 FHAB O=C(O)c1ccc(CN2CCC(OC[C@@H]3CCCCO3)CC2)cc1Cl 565106860 RCNZEWVVRVWHEZ-INIZCTEOSA-N 367.873 3.588 0 40 FHAB Cc1nc(-c2ccc(N/C=C3/C(=O)NC(=O)c4ccccc43)cc2)cs1 16721281 NWDFZKRKSZEPMW-LICLKQGHSA-N 361.426 3.842 0 40 FHAB O=S(=O)(Nc1ccc(Oc2cccnc2)cc1)c1ccc2c(c1)CCN2 244955874 GCVWSKSQGCXICD-UHFFFAOYSA-N 367.430 3.643 0 40 FHAB CN(C(=O)c1cc2cc(Br)ccc2oc1=O)C1CCCCC1 1075321 GLKKOOOFIQEMBR-UHFFFAOYSA-N 364.239 3.960 0 40 FHAB COc1ccc(N2C[C@](O)(c3ccc(C)cc3C)[N+]3=C2CCCC3)cc1 2966352 CRTQJLRIWSHTLY-QFIPXVFZSA-N 351.470 3.572 0 40 FHAB COc1cccc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)c1OC 4138198 RBDSFQREUXTRQW-UHFFFAOYSA-N 364.445 3.994 0 40 FHAB COc1cccc(C(=O)NCCSc2ncc(-c3ccc(F)cc3)[nH]2)c1 4315659 MPYOWCACGSONDD-UHFFFAOYSA-N 371.437 3.747 0 40 FHAB CC(=O)N1CCc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2C1 9034789 VJXLPBXTCJENNO-UHFFFAOYSA-N 362.351 3.862 0 40 FHAB O=C(COc1cccc2ccc(N3CCCC3)nc12)NCc1ccccc1 10814680 CFDKTVVPPDFEDW-UHFFFAOYSA-N 361.445 3.530 0 40 FHAB C[C@@]1(C(=O)N2CCC3(CC2)CO[C@H](COc2ccccn2)C3)CC=CCC1 2055750597 JBDUGWSBZAHTDB-GHTZIAJQSA-N 370.493 3.605 0 40 FHAB CCOc1cc2c(cc1OCC)[C@H](c1ccc(C(=O)OC)cc1)NCC2 20506960 AQYLPVYLPZDSNJ-FQEVSTJZSA-N 355.434 3.506 0 40 FHAB O=C(NC[C@@H]1CCCN1c1nc2ccccc2o1)c1ccc2cc[nH]c2c1 206774070 MVEZRDGYSFFGTD-INIZCTEOSA-N 360.417 3.708 0 40 FHAB O=C(N[C@@H](c1ccsc1)c1cccs1)[C@@H]1COc2ccccc2O1 575414988 WFXWCWMPIMQWQX-RDJZCZTQSA-N 357.456 3.855 0 40 FHAB COc1cccc(Oc2c(C)nc(N)nc2-c2ccc(OC)cc2O)c1 5562781 NIBVQCSJCPBPEY-UHFFFAOYSA-N 353.378 3.549 0 40 FHAB biogenic C[C@H](NC[C@@H]1C(=O)O[C@@H]2CC3=CCC[C@@H](C)[C@@]3(C)[C@H](O)[C@@H]21)c1ccccc1 2119129 YSIINEYFHDVBCW-FMQZPZPUSA-N 369.505 3.622 0 40 FHAB biogenic O=C(CCCc1cccs1)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 40072059 OAIRDGUOEUDWOM-KRWDZBQOSA-N 358.463 3.827 0 40 FHAB CC(C)(C)c1ccccc1NC(=O)Cn1nc(-c2cccs2)oc1=O 30971357 POXGQPMIQCIRJJ-UHFFFAOYSA-N 357.435 3.501 0 40 FHAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccc(Cl)cc1Cl 7552561 NMYWJVDUPVBPSK-CQSZACIVSA-N 355.221 3.669 0 40 FHAB C[C@H]1CCc2c(sc3ncnc(SCC(=O)NC4CCCC4)c23)C1 881308 VCHRHFNWISVXHP-NSHDSACASA-N 361.536 3.967 0 40 FHAB Cc1ccc(-c2nnc(SCC(N)=O)n2-c2cccc3ccccc23)cc1 1224424 ULKJNYYFWFOLLW-UHFFFAOYSA-N 374.469 3.973 0 40 FHAB Cc1ccc([C@@H](OC(=O)c2ccco2)C(=O)NCc2cccs2)cc1 1381044 ARKXTRMNUJHCDC-QGZVFWFLSA-N 355.415 3.864 0 40 FHAB CC(C)Oc1ccc(N2C[C@@H](C(=O)Nc3cccc(F)c3)CC2=O)cc1 4898416 QXWOYMKLXRLBFZ-AWEZNQCLSA-N 356.397 3.605 0 40 FHAB Cc1ccnc(N2CCC(C(=O)Nc3cc(Cl)ccc3Cl)CC2)n1 4965974 RDAPVQBVWNGHCA-UHFFFAOYSA-N 365.264 3.947 0 40 FHAB CCc1ccc(C(=O)Nc2ccc(I)c(C)n2)cc1 6941115 FIDDCSDNCYRVLP-UHFFFAOYSA-N 366.202 3.809 0 40 FHAB COc1ccccc1NC(=O)CSc1nc(-c2ccc(C)cc2)no1 7605408 QSISQWJVWSQRLM-UHFFFAOYSA-N 355.419 3.784 0 40 FHAB Cc1nc(-c2ccccc2)ccc1C(=O)OCc1nc(-c2cccnc2)no1 21550439 KHJRKDPNJOZHRS-UHFFFAOYSA-N 372.384 3.859 0 40 FHAB CN(C)[C@@H](CNC(=O)c1cc2ccccc2cc1O)c1cccc(F)c1 29836713 JXGSBDPJAIBMGB-IBGZPJMESA-N 352.409 3.717 0 40 FHAB Cc1nc(COc2cccc(/C=C/C(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cs1 32876646 GQTGKOLOMQNZOS-JSMHICHCSA-N 372.490 3.680 0 40 FHAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@H]2C=C[C@H]1C2 102439527 HERQIAJKGCAMKP-XMUKKISLSA-N 359.731 3.820 0 40 FHAB Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(C(F)(F)F)nc3)cn2)n1 32914511 IUJJLWLJXDJDSO-UHFFFAOYSA-N 361.327 3.550 0 40 FHAB COc1ccccc1[C@H](O)CNC(=O)c1cc(F)c(Cl)cc1Cl 32915269 NGKSIWSFSQCABW-CQSZACIVSA-N 358.196 3.605 0 40 FHAB Cc1ccc(SCC(=O)OCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 9213297 JXPSUUBDOKEMID-CQSZACIVSA-N 361.438 3.647 0 40 FHAB COc1ccccc1[C@H]1C=C(c2ccc(OC(F)F)cc2)Nc2ncnn21 102799897 DRGADSULDQJPQU-MRXNPFEDSA-N 370.359 3.944 0 40 FHAB CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1nnc(C(C)C)s1 102979964 KRHVBXMZGKPHGT-UHFFFAOYSA-N 371.466 3.888 0 40 FHAB O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1cc2c(s1)CCOC2 102981204 JAVCJYKXLOOVGK-UHFFFAOYSA-N 365.458 3.748 0 40 FHAB O=C(Cc1ccccc1)N1N=C(C2CCCCC2)C[C@@]1(O)C(F)(F)F 58187183 AIUJZLGMVOLANN-QGZVFWFLSA-N 354.372 3.649 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(F)cc1 20035619 FHDMHGJIOITQEM-GOSISDBHSA-N 358.413 3.762 0 40 FHAB COc1cccc(CNC(=O)CNc2ccc(SC(F)F)cc2)c1 52855574 NZHFKYTYCHXMMN-UHFFFAOYSA-N 352.406 3.738 0 40 FHAB O=C(Cn1ncnc1-c1ccccc1Cl)N[C@H](c1ccccc1)C1CC1 103136752 OCXMQDPCEDTFSG-LJQANCHMSA-N 366.852 3.866 0 40 FHAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2cccc(N3CCNC3=O)c2)o1 47041419 TYJSSCGXSZWICE-SJTUHTAASA-N 351.406 3.585 0 40 FHAB O=C(Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1)N1CCCC1 12391272 BKHIHCFPIZFNLV-UHFFFAOYSA-N 356.369 3.874 0 40 FHAB Cc1c(Cl)cccc1NC(=O)NC1CCN(Cc2ccncc2)CC1 47326072 AJVJOLDLUPYGAV-UHFFFAOYSA-N 358.873 3.830 0 40 FHAB CCOC(=O)c1nc(Nc2ccc(NC(C)=O)cc2)c2ccccc2n1 956531 MHAXBDFSYYNCHI-UHFFFAOYSA-N 350.378 3.509 0 40 FHAB C[C@@H](NC(=O)c1ccc(-n2cccn2)cc1)c1ccc(-n2ccnc2)cc1 7987326 FVVVOXIBLIPDCO-MRXNPFEDSA-N 357.417 3.549 0 40 FHAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O 12593133 IBTCYRDSBHYIHQ-JOCHJYFZSA-N 374.396 3.536 0 40 FHAB CNc1c(NC(=O)Nc2cccc(C(C)=O)c2)c(=O)oc2ccccc12 101094825 PCOCEMKGYSJWCN-UHFFFAOYSA-N 351.362 3.681 0 40 FHAB CN1c2ccccc2C(=O)N(c2ccccc2Cl)[C@@H]1c1csnn1 54702356 SSUAEESKIQOKQU-MRXNPFEDSA-N 356.838 3.987 0 40 FHAB Cn1nnnc1SCc1csc(-c2ccc(C(F)(F)F)cc2)n1 24990137 KIYDNBGYTRUBCF-UHFFFAOYSA-N 357.386 3.645 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCN1C(=O)c1ccco1 24992940 DPZYJAXNBLWOFM-CYBMUJFWSA-N 353.205 3.830 0 40 FHAB CCOn1c(=O)c(-c2ccc(Oc3ccccc3)cc2)[n+]([O-])c2ccccc21 1410151 IPZWJBPNUZCWTB-UHFFFAOYSA-N 374.396 3.543 0 40 FHAB CCCN(CCC)C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 68883971 QUTHUIUJQGMLNL-UHFFFAOYSA-N 364.445 3.745 0 40 FHAB O=C(CSCc1ccc(Br)cc1)NCc1ccccc1 22558639 ROFZMJWTFAAHLL-UHFFFAOYSA-N 350.281 3.999 0 40 FHAB COc1ccc(F)cc1C(=O)OCc1cc(Cl)c2c(c1)OCCO2 26428397 ZNSHDPFVWLSVPT-UHFFFAOYSA-N 352.745 3.616 0 40 FHAB COc1ccc(NC(=O)c2ccc(O[C@H](C)C(=O)OCC(C)C)cc2)cc1 1939029 BPZDBCHCHRLNIO-OAHLLOKOSA-N 371.433 3.914 0 40 FHAB O=C(CCC(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccccc1 27242853 QRUKVPHBUBGEGB-SFHVURJKSA-N 364.445 3.527 0 40 FHAB Cc1cc(C)c(N(CC(=O)O)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 113883012 FEVUFHOADSISMQ-UHFFFAOYSA-N 367.854 3.545 0 40 FHAB CCOc1cc2c(cc1NC(=O)c1cnc3onc(C)c3c1)O[C@@H](C)C2 12791274 WMYMXSZBEOHTJH-JTQLQIEISA-N 353.378 3.506 0 40 FHAB CCc1ccccc1NC(=O)c1ccccc1S(=O)(=O)N1CCCCC1 12768697 NZYMSXCVISHXKL-UHFFFAOYSA-N 372.490 3.676 0 40 FHAB Cc1cccc(NC(=O)CN(C)CCC(=O)Nc2ccccc2Cl)c1C 12788128 QRMQTUBDLDLCRJ-UHFFFAOYSA-N 373.884 3.856 0 40 FHAB Cc1ccccc1-n1cnnc1S[C@H](C(=O)NC1CC1)c1ccccc1 12794081 ICTNILLYPRSXCG-SFHVURJKSA-N 364.474 3.688 0 40 FHAB CC1CCN(Cc2csc(NC(=O)COc3cccc(F)c3)n2)CC1 12784512 BMNDCHOXKKIJPO-UHFFFAOYSA-N 363.458 3.532 0 40 FHAB COc1ccccc1N(C)C(=O)C1CCN(c2nc3ccccc3o2)CC1 48287499 MIHIHJURQGKGSZ-UHFFFAOYSA-N 365.433 3.716 0 40 FHAB C/C=C/C=C/C(=O)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 12874492 NDMKEGICYRMNNY-MHCRVGIVSA-N 359.429 3.584 0 40 FHAB COc1ccc(CCC2CCN(Cn3nc(C)n(C)c3=S)CC2)cc1 12944612 NVMKWEMTBSEFSH-UHFFFAOYSA-N 360.527 3.570 0 40 FHAB CC(C)c1ccc(CN(C(=O)c2ccc(-n3cnnn3)cc2)C2CC2)cc1 12993097 GWAVZUQLWOJTMN-UHFFFAOYSA-N 361.449 3.591 0 40 FHAB CC(=O)Nc1ccc(-c2csc(NC(=O)COc3ccccc3)n2)cc1 3621442 GDEMVJJFMZMNHL-UHFFFAOYSA-N 367.430 3.786 0 40 FHAB C[C@H](NCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1ccccc1Cl 13097213 JYJMTODHBMHEMH-JTQLQIEISA-N 359.882 3.978 0 40 FHAB CCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)cc1Cl 22540375 QYETZNVAWDZHKY-NSHDSACASA-N 357.834 3.917 0 40 FHAB CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)nc2ccccc21 8394831 YFVWLUKYAGBPBR-LBPRGKRZSA-N 369.446 3.904 0 40 FHAB c1ccc(-n2cc(CNCCCn3ccnc3)c(-c3cccs3)n2)cc1 39942239 QWOWAOIEDFBESX-UHFFFAOYSA-N 363.490 3.977 0 40 FHAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)NCCC(c1ccccc1)c1ccccc1 6337989 QTHDVVJUSLBQDK-RTWAWAEBSA-N 363.457 3.992 0 40 FHAB CC1CCN(C(=O)COC(=O)c2cccc(Oc3ccccc3)c2)CC1 6395521 XIMTUQXWZWIDFL-UHFFFAOYSA-N 353.418 3.894 0 40 FHAB O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CC=CC[C@H]1C(=O)O 6338001 QTHDVVJUSLBQDK-LEWJYISDSA-N 363.457 3.992 0 40 FHAB O=C(Nc1cccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)c1)c1ccco1 4649252 KKBAQZBZTPHQHT-UHFFFAOYSA-N 367.313 3.721 0 40 FHAB O=C(Nc1nc(CC(=O)N2CCc3ccccc32)cs1)c1cccs1 8707942 XVXVGNMZOUGRDX-UHFFFAOYSA-N 369.471 3.589 0 40 FHAB COc1ccc(CN(C)C(=O)c2cc3ccccc3o2)c(OC)c1OC 8754803 CTXAVFBMDNDLHT-UHFFFAOYSA-N 355.390 3.731 0 40 FHAB COc1ccccc1[C@H](CNc1cc(=O)oc2ccc(C)cc12)N(C)C 8915947 YGIYVPWMNNNWHI-SFHVURJKSA-N 352.434 3.825 0 40 FHAB Cc1cnc(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)s1 9114703 LALGGARDLMAXTK-NSHDSACASA-N 353.856 3.547 0 40 FHAB Cc1noc(C)c1CCC(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 9513689 QBALPLGOJUEXHY-UHFFFAOYSA-N 369.446 3.921 0 40 FHAB CCN(C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 72305274 XJJBWQQJHGVOFC-STQMWFEESA-N 358.313 3.594 0 40 FHAB COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(C)ccc2C)CC1 72331346 LBKGVEMTSMPMJC-UHFFFAOYSA-N 358.869 3.928 0 40 FHAB CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CCC(Sc2ccccn2)CC1 72308935 ZHUPNSNLCLAXBB-SJORKVTESA-N 361.555 3.818 0 40 FHAB CCOC(=O)C[C@@H](c1ccc(OCC(C)C)cc1)c1c(O)cc(C)[nH]c1=O 72403204 AGZBVZPPTQPBJY-KRWDZBQOSA-N 373.449 3.509 0 40 FHAB CC(C)(CC(=O)N1CCC[C@@H]1c1cccc(Br)c1)C(=O)O 87726103 WCCFSOVXGQHHLW-CYBMUJFWSA-N 354.244 3.614 0 40 FHAB CN(C)C(=O)c1ccc(F)c(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)c1 79055261 KJRZYOOPASASGK-LSDHHAIUSA-N 360.816 3.923 0 40 FHAB CCCn1cc(C(=O)N2CCN(c3ccc(O)cc3)CC2)c2ccccc21 84760576 BBZDARVTRBNINZ-UHFFFAOYSA-N 363.461 3.719 0 40 FHAB Cc1cn2c(=O)c(C(=O)Nc3cccc4c3ccn4C(C)C)cnc2s1 95474459 VYRKWHLVEBHPLG-UHFFFAOYSA-N 366.446 3.852 0 40 FHAB C[C@@H](c1ccco1)N(C)C(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1 79494854 KWWQRCJZGNRPSS-UONOGXRCSA-N 370.478 3.720 0 40 FHAB C[C@@H](c1ccco1)N(C)C(=O)[C@H]1CCCN(c2ncnc3sccc23)C1 79494863 KWWQRCJZGNRPSS-KBPBESRZSA-N 370.478 3.720 0 40 FHAB COc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccco3)C2)c(OC)c1 95945312 JKVAYQTXTLDGRM-INIZCTEOSA-N 366.373 3.881 0 40 FHAB CN(Cc1ccc(OC(F)F)cc1)C(=O)C(=O)Nc1ccccc1Cl 89355977 IJFBQHMVCZLGFK-UHFFFAOYSA-N 368.767 3.539 0 40 FHAB O=C(Nc1nc(-c2cccnc2)cs1)c1cnc([C@@H]2CCCO2)s1 89643502 IVZDGBIAMHDSFY-LBPRGKRZSA-N 358.448 3.765 0 40 FHAB COc1ccc(N(Cc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 408628262 VQURXSGRXRKTIM-UHFFFAOYSA-N 360.262 3.968 0 40 FHAB CCN(CCCNC(=O)c1ccc(Br)o1)c1ccccc1 21939411 ACSUBNHPOAXCNZ-UHFFFAOYSA-N 351.244 3.689 0 40 FHAB Cc1ccc(OCc2nn(CC(=O)Nc3ccc(F)cc3)c(=S)o2)cc1 409172826 LQWVAPJHZDZPFW-UHFFFAOYSA-N 373.409 3.871 0 40 FHAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN1C(=O)c1cccnc1 33094089 AHQTVBHJNDZPFX-OAHLLOKOSA-N 364.232 3.632 0 40 FHAB Cc1ccc(NC(=O)N2CCC(NC(=O)c3ccccc3F)CC2)cc1 35315988 JRFZIAMQAHMGKU-UHFFFAOYSA-N 355.413 3.560 0 40 FHAB C[C@@]1(C(=O)Nc2ccc(-c3ccccc3F)nn2)OCCc2ccccc21 1539457391 BTUZASOARKKAQP-OAQYLSRUSA-N 363.392 3.709 0 40 FHAB CCCCOCCCNC(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 75104711 RXECMSQKDQBCQJ-DEOSSOPVSA-N 366.405 3.642 0 40 FHAB O=C(CSc1ccccc1Br)NCCOc1ccccc1 40009986 WBSHZZCHWBFTTP-UHFFFAOYSA-N 366.280 3.736 0 40 FHAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 222569535 YVIGIWKVLIXISN-MRXNPFEDSA-N 372.896 3.663 0 40 FHAB COc1cccc(-c2noc(CCC(=O)N3c4ccccc4C[C@H]3C)n2)c1 225825604 ZLYQDYNCSPYSTN-CQSZACIVSA-N 363.417 3.656 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)COc1cccc2c1CCCC2 225725852 VIJFYJJIVUVJAN-UHFFFAOYSA-N 366.461 3.723 0 40 FHAB Cc1c(Br)cccc1-c1nn2c(C(F)(F)F)nnc2s1 226293744 IRSWAMPECYGHFO-UHFFFAOYSA-N 363.162 3.943 0 40 FHAB CCOc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1Cl 223306014 QIPDFIBFCZPVNT-UHFFFAOYSA-N 372.896 3.917 0 40 FHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(C)cn1 225688695 CTMRCLAKIGWWRW-OAHLLOKOSA-N 357.479 3.987 0 40 FHAB O=c1cc(CCc2ccccc2)nc(-c2ccc(CN3CCCC3)cc2)[nH]1 20820572 ZLZKSFLBETWIGF-UHFFFAOYSA-N 359.473 3.818 0 40 FHAB CCCOc1ccc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)cc1 96121163 FLSVWOAYKBLVNL-MHWRWJLKSA-N 351.358 3.549 0 40 FHAB CCC(=O)N1CCC2(CC1)C[C@H](CC(=O)NC1CCC1)c1ccccc12 96242147 PJIPEUDQLFZKNB-INIZCTEOSA-N 354.494 3.503 0 40 FHAB CN(C)Cc1cnn(-c2ccccc2C(=O)NCc2ccccc2Cl)c1 257298764 RNFHCRPMTGWJJC-UHFFFAOYSA-N 368.868 3.517 0 40 FHAB Cc1nccc(C2CN(Cc3ccc(-c4ccccc4C(=O)O)cc3)C2)n1 257266418 MCYPPEQTNUSANF-UHFFFAOYSA-N 359.429 3.750 0 40 FHAB CCOc1ccc([C@@H]2C[C@H]2NC(=O)CCc2cccc(OC)c2F)cc1 585082053 VWYDXEPELWPOCC-ZWKOTPCHSA-N 357.425 3.838 0 40 FHAB COc1cc(-c2cc(OC)c3nc(N)sc3c2)cc2sc(N)nc12 255187004 APADRUPIVHTEMQ-UHFFFAOYSA-N 358.448 3.755 0 40 FHAB Cc1cc(N2CCC[C@H](C)C2)nc(NC(=S)NCc2ccccc2)n1 260708060 CZVFLFHCFVPNIP-AWEZNQCLSA-N 355.511 3.508 0 40 FHAB CC(=O)N1CCC[C@H](NCCc2ccccc2)[C@@H]1Cc1ccc(C)cc1 585283626 AZDQUPRLSTXPQD-GOTSBHOMSA-N 350.506 3.749 0 40 FHAB CC(=O)N1CCC[C@H](NCCc2ccc(F)cc2)[C@@H]1Cc1ccc(C)cc1 585286901 WNPIJWOSHHAXID-GOTSBHOMSA-N 368.496 3.888 0 40 FHAB Cn1ncc(NCc2ccc(-c3ccc4c(c3)CCO4)cc2)c(Cl)c1=O 57857576 DFQSFFLQIIQKAJ-UHFFFAOYSA-N 367.836 3.648 0 40 FHAB CSc1cccc(NC(=O)CN2Cc3ccccc3N(C)C[C@H]2C)c1 75107702 KREFAAUSBWYIAV-OAHLLOKOSA-N 355.507 3.688 0 40 FHAB O=C(CN1C(=O)c2cccc3cccc1c23)NC12CC3CC(CC(C3)C1)C2 5060180 GPOVCLDZIUPSBR-UHFFFAOYSA-N 360.457 3.885 0 40 FHAB CC(C)n1nccc1C(=O)N1CCC(c2onc3c2C[C@H](C)CC3)CC1 12119925 QYXFEXIQWRRDIM-CQSZACIVSA-N 356.470 3.597 0 40 FHAB Cc1ccccc1NC(=O)c1cc2cc(N(C)S(C)(=O)=O)ccc2s1 13609743 WDOSAQHJUCIQRJ-UHFFFAOYSA-N 374.487 3.858 0 40 FHAB CC[C@H](C(=O)Nc1cc(C)ccc1C)N(c1ccc(C)cc1)S(C)(=O)=O 13713047 ZJGFFVXECWRMFO-LJQANCHMSA-N 374.506 3.795 0 40 FHAB COc1ccccc1-n1nnc(C(=O)OCc2cccc(Cl)c2)c1C 16844374 UYIGYIAWUXTVNC-UHFFFAOYSA-N 357.797 3.595 0 40 FHAB CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)C1=O 6325758 HMOSZYCKKJHNPM-MHWRWJLKSA-N 370.430 3.849 0 40 FHAB O=C(Nc1cncc(F)c1)N1CC(Cc2ccccc2Br)C1 626552102 GTCJVUDCFSIUEB-UHFFFAOYSA-N 364.218 3.690 0 40 FHAB CCCOC(=O)c1ccc(NC(=O)c2ccccc2OCCOC)cc1 14658484 YSKOHRPXHHMNOR-UHFFFAOYSA-N 357.406 3.531 0 40 FHAB Cc1ccc(NC(=O)Cc2cc(=O)[nH]c(SCc3ccccc3)n2)cc1 23242165 XBTUBDWRHILMBV-UHFFFAOYSA-N 365.458 3.552 0 40 FHAB CC(=O)N[C@]1(C(Cl)(Cl)Cl)Oc2ccc(C(C)(C)C)cc2O1 824863 DPOOZJVXHIHRAD-CQSZACIVSA-N 352.645 3.915 0 40 FHAB Cc1cc(C)c(S(=O)(=O)NCc2ccc3c(c2)cc(C)n3C)c(C)c1 4061602 YVCBSJWROWYFLN-UHFFFAOYSA-N 356.491 3.890 0 40 FHAB aggregator CCCn1cc(S(=O)(=O)c2ccc(CC)cc2)c(=O)c2ccccc21 4193382 VZWWXZUSSCGVNS-UHFFFAOYSA-N 355.459 3.807 0 40 FHAB COc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1 6450417 UOBCIGVHDBRBBA-UHFFFAOYSA-N 368.414 3.842 0 40 FHAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc2ccccc2c1 21923090 NBZIXVNKLFFHHD-IBGZPJMESA-N 366.486 3.705 0 40 FHAB CCc1nc2sc([C@@H](c3ccc(OC)cc3)N3CCCCC3)c(O)n2n1 22853119 AXZMVBHKRQZPQN-MRXNPFEDSA-N 372.494 3.643 0 40 FHAB Cc1nc(CN2CCN(c3ccc(-c4ccccc4C)nn3)CC2)cs1 1775974459 GXRZEOHWCLUDJG-UHFFFAOYSA-N 365.506 3.539 0 40 FHAB O=C(Cc1ccc2c(c1)OCO2)N1CCS[C@H](c2cccs2)CC1 219512593 JKWGZGOIORITIF-KRWDZBQOSA-N 361.488 3.726 0 40 FHAB Cc1cc(OCC(=O)Nc2ccccc2Cl)nc(N2CCCCCC2)n1 44170140 HMQICRXQMDLLLH-UHFFFAOYSA-N 374.872 3.836 0 40 FHAB CCCCc1nnc(NC(=O)[C@H]2CCCN2c2nc3ccccc3o2)s1 618255141 MDOUMQLMTUCZJZ-CYBMUJFWSA-N 371.466 3.629 0 40 FHAB O=c1ccn(-c2ccccc2)nc1-c1nc(-c2ccc(Cl)cc2)no1 49006324 HWWOFFSMQUYZGR-UHFFFAOYSA-N 350.765 3.603 0 40 FHAB CO[C@@H](CNC(=O)c1cncc(Br)c1)c1ccccc1Cl 121722819 PWLHWVREJUNENT-AWEZNQCLSA-N 369.646 3.615 0 40 FHAB CC1CCC(NC(=O)[C@@H](C)S(=O)(=O)Cc2ccc(C(C)C)cc2)CC1 40106000 SFDMRECCRMRUHX-KOHRHEQBSA-N 365.539 3.808 0 40 FHAB O=C(CCn1ccc2c(Cl)cccc21)N[C@@H](C(=O)O)c1ccccc1 40267987 HJHBBYBVYRSCTQ-GOSISDBHSA-N 356.809 3.627 0 40 FHAB Cc1cc(C)cc(C(=O)c2ccc(CN3CCC4(CC3)OCCO4)cc2)c1 2514739 JMKWMPXEUAXOKV-UHFFFAOYSA-N 365.473 3.873 0 40 FHAB O=C(c1cc(-c2ccccn2)nc2cc(F)ccc12)N1CCSCC1 32073387 CGIZGPQYRIPZMU-UHFFFAOYSA-N 353.422 3.625 0 40 FHAB O=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(-n2cccn2)cc1 8156675 UUAMNEFCKPCNII-UHFFFAOYSA-N 366.509 3.791 0 40 FHAB CCOC(=O)c1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 1082956 HESJETAIDCDLNR-UHFFFAOYSA-N 354.431 3.707 0 40 FHAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(Br)cn1)CC2=O 1321175 WTCQLVSOOGGDPD-HZPDHXFCSA-N 351.244 3.568 0 40 FHAB CC(C)C(=O)N1CCC[C@H](C(=O)N(C)[C@H](C)c2cc3ccccc3o2)C1 46197260 YSJZLKQMELWNPL-WBVHZDCISA-N 356.466 3.847 0 40 FHAB CCc1cc2cc(C)c(C)cc2nc1SCC(=O)Nc1nonc1C 4849448 LNPIWAOECWRSHO-UHFFFAOYSA-N 356.451 3.836 0 40 FHAB COCCN(C(=O)c1ccc(Cl)cc1)c1nnc(-c2cccnc2)s1 4881532 DURUWHAENDPAIX-UHFFFAOYSA-N 374.853 3.547 0 40 FHAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 6152197 PQXHIUHJJCUCGQ-LLVKDONJSA-N 350.212 3.864 0 40 FHAB CC(=O)c1cccc(NC(=O)COc2ccc(Br)c(C)c2)c1 6189014 YYPNWFAIYPIZDH-UHFFFAOYSA-N 362.223 3.978 0 40 FHAB COc1ccc(Br)cc1S(=O)(=O)Nc1c(C)cccc1C 7409078 IBXDXYUIIGAMCZ-UHFFFAOYSA-N 370.268 3.875 0 40 FHAB CC(=O)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 7929302 JCCZLVCCXLPGMA-HNNXBMFYSA-N 371.820 3.810 0 40 FHAB Cc1nc(C)c(C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)s1 32721547 KONMVIVWXHMIRX-UHFFFAOYSA-N 354.479 3.835 0 40 FHAB CC(C)c1ccc(C(=O)N2CCN(c3ncnc4ccccc34)CC2)cc1 32770028 WLLPAMMFNBNAKQ-UHFFFAOYSA-N 360.461 3.716 0 40 FHAB O=C(COc1ccccc1Cl)NCc1ccccc1CN1CCCC1 8011844 CAMIIDLKZBRDEQ-UHFFFAOYSA-N 358.869 3.631 0 40 FHAB O=c1cc(-c2cccc3ccccc23)[nH]c2[nH]n(-c3ccccc3)c(=O)c12 8020682 MRKBEVIYAUAEIP-UHFFFAOYSA-N 353.381 3.827 0 40 FHAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CCc2ccccc21 32843550 WDICBOUMHQNVCT-OALUTQOASA-N 351.450 3.636 0 40 FHAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2Cl)[nH]1 10475496 DGLYKHJKVKDEQS-UHFFFAOYSA-N 374.853 3.865 0 40 FHAB C[C@H](NC(=O)CSc1nnnn1C1CCCC1)c1cc2ccccc2o1 8314929 YEPSSHGTTWFEQY-LBPRGKRZSA-N 371.466 3.504 0 40 FHAB CC(C)(C)c1nnc2sc(COc3ccc(Br)cc3)nn12 8706350 GWZIDSWFEIVWTC-UHFFFAOYSA-N 367.272 3.825 0 40 FHAB Cc1cc(C)cc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)c1 10971902 JJBBAWIIVMQOKV-UHFFFAOYSA-N 352.434 3.937 0 40 FHAB Fc1ccc([C@@H]2CN(Cn3nc(C4CC4)n(C4CC4)c3=S)CCO2)cc1 29895906 IJVFACFQRRKQMB-KRWDZBQOSA-N 374.485 3.796 0 40 FHAB NC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCCC2 671064 FZXCHEAHHAECGW-UHFFFAOYSA-N 368.380 3.997 0 40 FHAB Cc1ccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)c(C)c1 955255 BYHPRKXVJJNYHQ-UHFFFAOYSA-N 354.837 3.777 0 40 FHAB O=C(CCc1ccc2c(c1)OCCO2)N1CCC(Cc2ccccc2)CC1 24614873 NGBMCWANVZCZBK-UHFFFAOYSA-N 365.473 3.872 0 40 FHAB Cc1nn(Cc2ccccc2)c(=O)c2nn(-c3ccc(Cl)cc3)c(C)c12 1016784 DHVYBFCSWZEAOQ-UHFFFAOYSA-N 364.836 3.901 0 40 FHAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1cccc(NC(=O)C2CC2)c1 23733938 SNPIDNLSPVZXCV-UHFFFAOYSA-N 370.424 3.845 0 40 FHAB COc1cc(C(=O)N2CCC(N(C)c3ccccc3)CC2)cc(OC)c1C 47278912 NPSFHJQUALETBL-UHFFFAOYSA-N 368.477 3.753 0 40 FHAB COc1ccc(CNC(=O)COC(c2ccccc2)c2ccccc2)cn1 54729167 JHUSPOPIKPGCQM-UHFFFAOYSA-N 362.429 3.513 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCC(=O)c1ccc(C)s1 24201477 RAPQOBKXXYFKMS-QGZVFWFLSA-N 369.442 3.747 0 40 FHAB COC(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)nc1 24370308 XYXLIXFTIKSLLX-UHFFFAOYSA-N 372.384 3.664 0 40 FHAB CC(C)(C(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccc(Cl)cc1 55051531 WBBALSUYYAPFJD-UHFFFAOYSA-N 351.855 3.660 0 40 FHAB COC(=O)Nc1cccc(NC(=O)N2CCN(c3cccc(C)c3)CC2)c1 47711791 VGPSLPQALGGAGS-UHFFFAOYSA-N 368.437 3.527 0 40 FHAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N3CCC[C@H](O)C3)ccc21 34884313 BUICEAFQOSKHBB-WBVHZDCISA-N 365.477 3.598 0 40 FHAB O=C(Nc1cccc(CNc2nccc(C(F)(F)F)n2)c1)c1ccco1 25571210 UEGKOIFWLUVMLO-UHFFFAOYSA-N 362.311 3.953 0 40 FHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@@H]1c1ccc(F)cc1 25536617 VSRIDDGQAOHUAO-GOSISDBHSA-N 361.438 3.515 0 40 FHAB Cc1occc1C(=O)Nc1cc(N[C@H](C)C(=O)NC(C)(C)C)ccc1F 56154845 OFZHGYUFUHFIEB-LLVKDONJSA-N 361.417 3.695 0 40 FHAB C[C@@H](Sc1nncn1-c1ccccc1F)C(=O)N(C)Cc1ccccc1 12527408 ABBALSZRNCHFBX-CQSZACIVSA-N 370.453 3.546 0 40 FHAB Cc1cc(NC(=O)[C@H](C)[S@](=O)Cc2ccc(Cl)cc2Cl)no1 58175674 QXNPUCHBODFSKM-AUADJRAKSA-N 361.250 3.566 0 40 FHAB CN(C)[C@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)c1cccs1 27676435 GCBMNDRQMXXNKU-CYBMUJFWSA-N 358.385 3.679 0 40 FHAB Cc1cc(C(=O)OCc2nc3ccccc3o2)c2cnn(C(C)C)c2n1 10208178 ZEQLNDJEXSQDTP-UHFFFAOYSA-N 350.378 3.819 0 40 FHAB CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 20482496 NPXQJZBOCUGGKJ-HNNXBMFYSA-N 360.479 3.556 0 40 FHAB FC(F)(F)c1ccc2nnc(SCc3ccc4c(c3)OCCO4)n2c1 58377669 QCBABGQQPDYUAT-UHFFFAOYSA-N 367.352 3.812 0 40 FHAB CSc1nnc2n(C)c3c(c(=O)n12)C1(CCCCC1)Cc1ccccc1-3 2245704 YBYDTSLCHORFFU-UHFFFAOYSA-N 366.490 3.575 0 40 FHAB CC(C)Nc1nnc(SCC(=O)N(C)Cc2cccc(Cl)c2)s1 11151305 AWKNBQKDQACENZ-UHFFFAOYSA-N 370.931 3.763 0 40 FHAB CCN(C(=O)c1cc2c(=O)n3cccc(C)c3nc2s1)c1ccccc1 2466898 UWHDHXGAQWILKO-UHFFFAOYSA-N 363.442 3.884 0 40 FHAB CCCCn1nc(C)c(C(=O)Nc2ccc(N3CCCC3)nc2)c1Cl 12769735 JFWDCZDQOACGSW-UHFFFAOYSA-N 361.877 3.893 0 40 FHAB COc1ccc(-c2nc(C(=O)NCCc3ccccc3)cs2)cc1OC 12762568 RWBDQRSGJQIPHF-UHFFFAOYSA-N 368.458 3.800 0 40 FHAB Cc1n[nH]c(C)c1NC(=O)c1ccc(NC(=O)[C@]2(C)C[C@H]3C=C[C@H]2C3)cc1 112248899 PGJDMQKZIQJPCJ-WDUKFBBWSA-N 364.449 3.820 0 40 FHAB O=C(CSc1nnc(NCc2ccco2)s1)c1ccc(F)cc1F 12856990 HASXCCGTERRNDY-UHFFFAOYSA-N 367.402 3.996 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1 3446283 LOFSLKOQNFXTHC-ZDUSSCGKSA-N 364.854 3.653 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2c(F)cccc2Cl)c1C 3587624 DYBIFVWMCOZRNL-UHFFFAOYSA-N 351.761 3.666 0 40 FHAB CC1(C)C[C@@]2(C[C@@H](c3ccccc3)c3ccc(O)cc3O2)NC(=S)N1 13571046 REZKDIKSEAMYQF-JXFKEZNVSA-N 354.475 3.649 0 40 FHAB COc1ccc(Br)cc1CSc1nnc(C2CC2)n1C 8473861 XSTFQVKHBYIFDF-UHFFFAOYSA-N 354.273 3.756 0 40 FHAB CC(C)CC[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 23012800 XTSYYBSNAMJOEK-APWZRJJASA-N 368.477 3.788 0 40 FHAB O=C1CSc2ccc(C(=O)Nc3nc(-c4cccnc4)cs3)cc2N1 8710671 RFNNCTWWKWGEPJ-UHFFFAOYSA-N 368.443 3.502 0 40 FHAB CN(CC(=O)NCc1ccco1)c1nc(-c2ccccc2)c2ccccc2n1 8728475 WJBNHZDOBHJVGU-UHFFFAOYSA-N 372.428 3.642 0 40 FHAB O=C(N[C@H]1CSc2c1nc1ccccc1c2C(=O)O)c1ccccc1 14988599 NYEWZVLCMDPQKE-AWEZNQCLSA-N 350.399 3.510 0 40 FHAB CN(C)Cc1ccccc1CNC(=O)CCc1nc2ccccc2s1 6882022 CVCBCQRQMSEJEM-UHFFFAOYSA-N 353.491 3.607 0 40 FHAB Cc1ccc(NC(=O)[C@@]2(c3ccncc3)CC(=O)N2c2ccc(C)cc2)cc1 15413453 WGCNOPYKYFIHHV-QHCPKHFHSA-N 371.440 3.969 0 40 FHAB O=C(CN1CCCCCC1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 7339714 FYOGMTLLLHWXMA-UHFFFAOYSA-N 369.440 3.893 0 40 FHAB Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c1 7633150 ATURPQITIMNDRA-VPSFDDGASA-N 357.450 3.569 0 40 FHAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cn2ccccc2n1 8053396 QQJUYAYOBIADOK-UHFFFAOYSA-N 366.808 3.881 0 40 FHAB CCOc1ccc(N2C[C@@H](c3nc(-c4ccccc4C)no3)CC2=O)cc1 9318614 HVXYIVSZQASCMV-HNNXBMFYSA-N 363.417 3.964 0 40 FHAB O=C(CCCc1nc(-c2ccccc2)no1)N[C@@H]1CCOc2ccccc21 9364366 RZLZYPLHGVXIQL-QGZVFWFLSA-N 363.417 3.699 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(N)c3ccsc3n2)cc1 9609839 HYKSFDLYXMHUMK-SNVBAGLBSA-N 372.475 3.595 0 40 FHAB O=C(COc1ccc(Cl)cc1)Nc1ccccc1N1CCC(CO)CC1 84506038 YCUNSQDOIYXZMJ-UHFFFAOYSA-N 374.868 3.566 0 40 FHAB CCOC(=O)c1nn(-c2ccccc2)cc1-c1nc2cc(F)c(F)cc2[nH]1 95352968 QCEWIHBLGPMURG-UHFFFAOYSA-N 368.343 3.871 0 40 FHAB O=C(O)c1ccc(-n2ncc3c2N=C(O)CS[C@H]3c2ccccc2)cc1 95475682 CKDAXPCMRQWJHP-KRWDZBQOSA-N 365.414 3.995 0 40 FHAB COc1ccccc1C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 9953298 VBMBZJFNQHEZGF-UHFFFAOYSA-N 363.200 3.595 0 40 FHAB O=c1cc(CN2CCN(Cc3ccccc3)CC2)c2cc3c(cc2o1)CCC3 20502821 SLZGMGKWEBJRSC-UHFFFAOYSA-N 374.484 3.600 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cc(Cl)c[nH]1 9951376 AMORHUOJFPNNNK-QMMMGPOBSA-N 357.193 3.514 0 40 FHAB COc1ccc(/C=C2\S[C](Nc3ccccc3F)NC2=O)cc1OC 408807799 LBXPGZKETDVTTH-UHFFFAOYSA-N 359.402 3.606 0 40 FHAB Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2c[nH]c3cccnc23)C1 548419379 FRJZVPYHRKPGPU-CQSZACIVSA-N 368.868 3.781 0 40 FHAB COCCn1ccc2c(NC(=O)NCc3ccc(OC)cc3)cccc21 524733861 WFIWOPWADDQOAE-UHFFFAOYSA-N 353.422 3.618 0 40 FHAB Cc1ncc(S(=O)(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)s1 533176475 IDWRSGYHSXSKSD-GOSISDBHSA-N 370.499 3.788 0 40 FHAB CC(C)c1nnc(C2CCN(C(=O)c3nc4ccccc4s3)CC2)o1 38518229 SVQJNIDZFIZOIJ-UHFFFAOYSA-N 356.451 3.823 0 40 FHAB CC(C)c1noc(-c2ccc(OCC(=O)NCc3ccccc3)cc2)n1 32578792 NMCUJNAMBNAQJJ-UHFFFAOYSA-N 351.406 3.555 0 40 FHAB Cc1cc([C@@H](O)CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(C)o1 1565519717 MSBDRZDKCLSSPT-INIZCTEOSA-N 351.830 3.557 0 40 FHAB Cc1cc(N2CCOCC2)ncc1[C@H]1CCCCN1Cc1ccccc1 72219427 PWFHRXNKDUNQHX-OAQYLSRUSA-N 351.494 3.954 0 40 FHAB CCOc1ccc(CNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 44912583 ZSJNCLHOTWCRLT-IBGZPJMESA-N 370.468 3.753 0 40 FHAB CC(C)(C)OC(=O)N1CC[C@H](CNCc2cccc(Br)c2)C1 89223551 SUGRDCYKGDSWBM-CQSZACIVSA-N 369.303 3.796 0 40 FHAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 222993828 XJLVQFPREUNPHB-KRWDZBQOSA-N 370.468 3.702 0 40 FHAB COc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCCC2)c(OC)c1 225944973 VRZAUCYBUTYUDN-UHFFFAOYSA-N 369.417 3.883 0 40 FHAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 222400162 LSMYJGMJSWXOLO-QGZVFWFLSA-N 370.518 3.641 0 40 FHAB COC(=O)CCSc1nnc(-c2ccccn2)n1-c1ccc(C)cc1C 48363570 RKTPWXZFFFVEFZ-UHFFFAOYSA-N 368.462 3.601 0 40 FHAB O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1cccc2cc(O)ncc12 528192952 IEVPWANIBUNSCS-UWJYYQICSA-N 362.429 3.838 0 40 FHAB CO[C@](C)(C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1)C1CC1 225644022 DOECGXLOFRJRNQ-YVHKJVDXSA-N 374.525 3.797 0 40 FHAB CC(C)(C)OC(=O)N1CC[C@@H](CNCc2ccccc2Br)C1 89223548 VNTVJPZTUAGEGX-ZDUSSCGKSA-N 369.303 3.796 0 40 FHAB COC(=O)c1ccc(OC)c(NC(=S)Nc2ccc(Cl)cc2)c1 141289868 BLZHJWDMPSYREX-UHFFFAOYSA-N 350.827 3.944 0 40 FHAB O=C1C[C@H](c2ccc(O)cc2)c2c(ccc3nn(-c4ccccc4)nc23)N1 96117368 RTNWTUHPMASLDG-MRXNPFEDSA-N 356.385 3.600 0 40 FHAB CC(C)Cc1sc(Cl)nc1C(=O)NCCc1nc2ccccc2[nH]1 96223388 YCLHBMGHSRBMHJ-UHFFFAOYSA-N 362.886 3.844 0 40 FHAB Cc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)[C@H]4C[C@H]4C)C3)noc2n1 248334835 MBYJENLOSVXTAX-JLLWLGSASA-N 367.371 3.912 0 40 FHAB O=C(c1cccc(O)n1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257218997 DFEXPJWBFAWHIW-GOSISDBHSA-N 363.417 3.733 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)CN[C@@H]1CCc2ccccc2OC1 585080289 YROHWGYZDGXFTD-OAHLLOKOSA-N 374.868 3.579 0 40 FHAB Cc1cccc(C(=O)N2C[C@H]3[C@@H](Oc4ccc(Cl)cc4)CC[C@H]3C2)n1 257326778 WYNZNZTYODXMLF-YJLNNSPDSA-N 356.853 3.973 0 40 FHAB Cc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3CN(CCCC(=O)O)CC[C@@H]3O[C@H]21 257221386 DOVIBPCKLSOPFT-CNTRQJEFSA-N 373.493 3.799 0 40 FHAB Cc1c(C(=O)N(Cc2cnc3ccccn23)C2CC2)cnn1-c1ccccc1 96097115 HDIRHWLNQNDUKZ-UHFFFAOYSA-N 371.444 3.633 0 40 FHAB O=C(COc1ccccc1F)N1CCC(c2ccc3cccnc3n2)CC1 655265388 RTWUBGCWDFRCJO-UHFFFAOYSA-N 365.408 3.554 0 40 FHAB O=C(CCN1Cc2ccccc2C1=O)NC1(c2ccccc2F)CCCC1 12197895 SYANOYQCPVCSFT-UHFFFAOYSA-N 366.436 3.757 0 40 FHAB CCOC(=O)[C@@]12CC=CCN(C(=O)c3cccc4ncccc34)[C@@H]1CCC2 12275338 CFNCQJQHLCPLFK-DENIHFKCSA-N 364.445 3.739 0 40 FHAB O=C(NCc1cccc(C(F)(F)F)c1)c1cnn(Cc2ccccc2)c1 12815013 NILHIZRUOVLHGP-UHFFFAOYSA-N 359.351 3.880 0 40 FHAB CSc1nc2nc(C)c(CC(=O)Nc3ccccc3C(C)C)c(C)n2n1 12870174 RJQJNEVKIYJXLC-UHFFFAOYSA-N 369.494 3.768 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)CN(C)CC(=O)Nc1ccc(F)cc1 13097203 OBNRVVJWDGWGSL-UHFFFAOYSA-N 371.456 3.767 0 40 FHAB CC[C@@H](C(=O)Nc1ccc(Cl)cc1)N(c1ccccc1)S(C)(=O)=O 13711044 MPRFGIBJIIOBFN-INIZCTEOSA-N 366.870 3.523 0 40 FHAB COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2c(C)cc(C)cc2C)c1 14234065 BOAVQXCWVUERQT-OAHLLOKOSA-N 363.479 3.669 0 40 FHAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@H]3C[C@@H]3C)cc2n1 19522253 KLUFIWQOKOZSTA-JKOKRWQUSA-N 366.387 3.630 0 40 FHAB CCCn1c(C)cc2cc(NC(=O)c3cc(C(C)C)[nH]c(=O)n3)ccc21 19525991 PGXSMAZUGQTUAY-UHFFFAOYSA-N 352.438 3.819 0 40 FHAB Cc1csc(N2CC[C@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]32)n1 1889095535 VSHMGSFYPVAYNM-AAEUAGOBSA-N 354.401 3.580 0 40 FHAB CC(=O)Nc1ccc(CNC(=O)Cc2c(Cl)cccc2Cl)cc1 24976507 STYDVCBQGFBRIH-UHFFFAOYSA-N 351.233 3.811 0 40 FHAB CCSc1nnc(NC(=O)[C@@H](C)Sc2nc3ccccc3[nH]2)s1 4033939 SIFMUPYJPSJCCQ-MRVPVSSYSA-N 365.509 3.646 0 40 FHAB O=C(CSc1nc(-c2ccccc2)ns1)NCc1ccc(F)cc1 4167287 JXTCAOROBCZIOW-UHFFFAOYSA-N 359.451 3.753 0 40 FHAB CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c3ccccc23)cc1 4585897 XVOFXWMRFBKHSY-UHFFFAOYSA-N 369.442 3.894 0 40 FHAB Cc1cccc(Cn2c(=O)n(-c3ccccc3C)c(=O)c3ccccc32)c1 4905995 PMYHIKGLCPXVJB-UHFFFAOYSA-N 356.425 3.818 0 40 FHAB COc1cccc(OC)c1C(=O)Nc1ccc(N2CCCCC2=O)c(C)c1 5441323 GKAXUBAGUXPJEJ-UHFFFAOYSA-N 368.433 3.781 0 40 FHAB Cc1ccc(-n2ccnc(SCC(=O)Nc3ccccc3)c2=O)cc1C 7615797 YFGXBBCUGDDCCL-UHFFFAOYSA-N 365.458 3.580 0 40 FHAB O=C(Nc1ccccc1Cl)c1ccc(=O)n(Cc2ccccc2F)c1 15883158 NSNUNMHWCJBMIR-UHFFFAOYSA-N 356.784 3.941 0 40 FHAB CCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 100743937 HQURZWLYWHFSJF-KODHJQJWSA-N 355.434 3.708 0 40 FHAB CCN(C(=O)CSc1nc(C2CC2)n[nH]1)c1cccc2ccccc12 11469202 MZUUFNHFMSYLOH-UHFFFAOYSA-N 352.463 3.981 0 40 FHAB CSc1nnc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)s1 16973245 PAOKPMBOXVUFGC-UHFFFAOYSA-N 367.839 3.581 0 40 FHAB CCOc1ccc(CN(C)CN2N=C(c3ccc(F)cc3)CCC2=O)cc1 45802019 WTLFLGKBHLYSSM-UHFFFAOYSA-N 369.440 3.640 0 40 FHAB CCc1ccccc1NC(=O)Cn1cnc2c(sc3ccccc32)c1=O 45942813 WIBUHAWYSAZNLS-UHFFFAOYSA-N 363.442 3.812 0 40 FHAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccco1 779310 KWUOZPVFISIHNS-UHFFFAOYSA-N 356.451 3.906 0 40 FHAB O=C(Cc1ccc(Br)cc1)Nc1ccc2c(c1)OCCCO2 11759202 MMALLTIEQJKJHE-UHFFFAOYSA-N 362.223 3.792 0 40 FHAB Cc1c(NC(=S)Nc2ccccc2Cl)c(=O)n(-c2ccccc2)n1C 1036815 SSONMSHZWQJGDN-UHFFFAOYSA-N 372.881 3.947 0 40 FHAB Cc1cccc2cc(CN(Cc3ccccc3)C(=O)C3CC3)c3nnnn3c12 1376756 RPUFJBPYIAKNCG-UHFFFAOYSA-N 371.444 3.525 0 40 FHAB Cc1ccc(OCCN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 2645617 MVBBAQYSOYDPEG-UHFFFAOYSA-N 355.459 3.848 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(C)cc2)cc1 6779523 LAQLMCZKBCSODM-XNTDXEJSSA-N 372.490 3.677 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 7689060 DMKXBRGBPZMYRW-AWEZNQCLSA-N 372.490 3.563 0 40 FHAB C[C@H](O)CNCc1cc(Br)ccc1OCc1ccccc1F 8497947 REOAXZHYSSVYHR-LBPRGKRZSA-N 368.246 3.638 0 40 FHAB Cc1cc(C(=O)CSc2nnc3c(Cl)cc(Cl)cn23)c(C)n1C 2622958 PATQBWMAPJUXCO-UHFFFAOYSA-N 369.277 3.966 0 40 FHAB Brc1ccc(CSc2nnc(C3CCNCC3)o2)cc1 11903935 CDXJWZWSLFNDHN-UHFFFAOYSA-N 354.273 3.591 0 40 FHAB Cc1cc(C)cc(OCCN(C)C(=O)c2cc(-c3cccnc3)on2)c1 32926175 MZAHQDNUTDZYTN-UHFFFAOYSA-N 351.406 3.504 0 40 FHAB CCC[C@@]1(C)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O 32931554 OCJNSNVBSOWZMV-OAQYLSRUSA-N 365.433 3.550 0 40 FHAB COc1ccc([C@H](C)NC(=O)COc2ccc(Br)cc2)cc1 22509270 UIWHOVWFCSOSLT-LBPRGKRZSA-N 364.239 3.714 0 40 FHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccsc1 37124673 HVQDHRYQNJDNPX-UHFFFAOYSA-N 356.369 3.868 0 40 FHAB COc1ccc(NC(=O)COc2ccc(Br)c(C)c2)cc1 670513 KRWLZWQRGCFCTM-UHFFFAOYSA-N 350.212 3.784 0 40 FHAB CCN1C(=O)N(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc21 2713047 PAYMMGFNRYLNTI-UHFFFAOYSA-N 350.827 3.804 0 40 FHAB O=C(Nc1ccncc1)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 22260543 JJDXUMFFPGCRDS-QGZVFWFLSA-N 359.429 3.726 0 40 FHAB O=C(NCc1ccccc1Cl)c1nc(-c2ccc3cc[nH]c3c2)no1 12321188 MBAIQVJBLTYWBR-UHFFFAOYSA-N 352.781 3.801 0 40 FHAB Fc1ccc([C@H]2C[C@@H](c3cccc(Br)c3)Nc3nnnn32)cc1 2914572 HFGAQXIVYAIPPL-LSDHHAIUSA-N 374.217 3.721 0 40 FHAB CCN(CC)C(=O)C1CCN(Cc2ccc(Br)cc2)CC1 819218 AZCNEZVCWWGVOU-UHFFFAOYSA-N 353.304 3.530 0 40 FHAB O=C(N[C@@H](Nc1ccccc1F)C(Cl)(Cl)Cl)c1ccco1 824888 IRPMVTYKUUVFTF-GFCCVEGCSA-N 351.592 3.957 0 40 FHAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)ccc1F 23716809 ZKBHHSHGHIQAQH-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB C[C@H](OC(=O)c1cc(Cl)c[nH]1)C(=O)Nc1cccc(C(F)(F)F)c1 25194808 OHLDKDFBZGPAFL-QMMMGPOBSA-N 360.719 3.871 0 40 FHAB Cc1ccc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2cccc(F)c2F)C3)nc1 100149349 BTMVVBSLBKEEMF-IAGOWNOFSA-N 358.432 3.788 0 40 FHAB O=S(=O)(NC[C@@H](Nc1ccc(F)cc1)c1ccccc1)c1ccccc1 1428752 WXRYKYHGKUMGOB-HXUWFJFHSA-N 370.449 3.957 0 40 FHAB COc1cccc(/C=C/C(=O)OCC(=O)c2ccc(Cl)cc2)c1OC 3247659 QPCTXQPCMLJZIE-DHZHZOJOSA-N 360.793 3.797 0 40 FHAB Cc1cc(CNC(=O)[C@H](NC(=O)Nc2ccccc2)C(C)C)ccc1F 25645906 OMDHKGNPHIKRKA-GOSISDBHSA-N 357.429 3.597 0 40 FHAB CCn1cc(C(=O)Nc2ccc(F)cc2F)c(=O)c2cc(OC)ccc21 22235797 JGWPNJLHMARAOO-UHFFFAOYSA-N 358.344 3.561 0 40 FHAB Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NS(C)(=O)=O 10372233 CBBFAXNPQSMMDX-UHFFFAOYSA-N 372.368 3.638 0 40 FHAB CSc1nc2ccccc2c(=O)n1CC(=O)c1cc(C)c(C)cc1C 57486403 HMYADMDMBVEWCF-UHFFFAOYSA-N 352.459 3.927 0 40 FHAB Cc1cccc(NC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)cc2=O)c1 57526798 QQMSYAAZZJARKW-UHFFFAOYSA-N 367.836 3.819 0 40 FHAB Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)c1cccnc1 28305994 KGEMPSCSFQRDIV-UHFFFAOYSA-N 358.804 3.988 0 40 FHAB CCC1CCC(CNC(=O)Cn2c(S)nnc2-c2ccc(C)cc2)CC1 58227464 HCXNVYFYPZOOFR-UHFFFAOYSA-N 372.538 3.875 0 40 FHAB Fc1ccc(CN2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cc1 306132421 LIDAXTKCRXMPSD-IBGZPJMESA-N 373.435 3.920 0 40 FHAB O=C(O)CC1(CNC(=O)Cn2ccc3c(Cl)cccc32)CCCCC1 36359605 RXJJJVIGPHIXRI-UHFFFAOYSA-N 362.857 3.836 0 40 FHAB COc1ccccc1-c1nc(C(=O)Nc2cccnc2N(C)C)cs1 58682720 RKKGWECKAMGPQO-UHFFFAOYSA-N 354.435 3.532 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@@H]2CCSc3c(F)cccc32)cc1C 12736240 QDHZLNVLUDJMMW-MRXNPFEDSA-N 351.468 3.958 0 40 FHAB COc1ccccc1[C@@H]1[C@H](C(=O)N(C)C)CCC(=O)N1c1ccc(C)cc1 28619449 QVNZTUWCQSKQDI-WIYYLYMNSA-N 366.461 3.576 0 40 FHAB Cc1noc2nc(-c3ccccc3)cc(C(=O)NCCc3ccccn3)c12 28853617 VZHDWFSQOPERJY-UHFFFAOYSA-N 358.401 3.566 0 40 FHAB Cc1c(Cl)cccc1S(=O)(=O)N(C1CC1)[C@@H](C)c1ccccn1 48309256 QLJSRMJNUZTQJQ-ZDUSSCGKSA-N 350.871 3.958 0 40 FHAB CC[C@@H]1c2ccsc2CCN1CC(=O)N1CCC(c2ccccc2)=N1 12896030 XXIGPVBYUHVKPE-GOSISDBHSA-N 353.491 3.694 0 40 FHAB CC[C@H](C)NC(=O)COc1ccc(Br)cc1Br 3515621 CNMXBZKROYNYOH-QMMMGPOBSA-N 365.065 3.505 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)N(C)[C@H]1CCCc2ccccc21 8574341 JTBWDEUHHMUGJM-IBGZPJMESA-N 367.445 3.813 0 40 FHAB O=C(CC12CC3CC(CC(C3)C1)C2)OCCCn1c(=O)[nH]c2ccccc21 13001907 PNFXVKZQAJIESR-UHFFFAOYSA-N 368.477 3.869 0 40 FHAB O=C(NCc1ccccc1Cl)[C@H]1CCCN(C(=O)c2cccs2)C1 13018006 NDYJNIVHXQOSGT-AWEZNQCLSA-N 362.882 3.570 0 40 FHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(Br)c1 13135471 DETVLBXYBOBVBM-UHFFFAOYSA-N 370.268 3.673 0 40 FHAB COc1ccc(OC)c(NC(=O)Nc2ccc(CN3CCCC3)cc2)c1 13328359 UWBYMFZSXDTLLY-UHFFFAOYSA-N 355.438 3.944 0 40 FHAB CC1(C)CC(=O)c2c(C(=O)OC[C@@H]3CCCN4CCCC[C@H]34)coc2C1 4028132 AOSJXLNQRXKINT-GOEBONIOSA-N 359.466 3.856 0 40 FHAB biogenic O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)N1CCCCCC1 6532101 KMWZKFMMFVLAFT-UHFFFAOYSA-N 370.522 3.699 0 40 FHAB C[C@H](CC(=O)NCc1ccco1)CC(=O)Nc1cccc(C(F)(F)F)c1 4681832 GCOBNWCGZZEHLP-GFCCVEGCSA-N 368.355 3.970 0 40 FHAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1 4744832 ADAZOGRKLPCOJZ-UHFFFAOYSA-N 366.571 3.880 0 40 FHAB Cc1cccc(-n2ccc(=O)c(C(=O)Nc3ccc(C)c(Cl)c3)n2)c1 6747752 BWPPRAYJFRKCEI-UHFFFAOYSA-N 353.809 3.755 0 40 FHAB C=C1c2cc3c(cc2CCN1C(=O)c1ccc(OC)cc1)OCCCO3 6757312 NIUDGOHIGOTCKT-UHFFFAOYSA-N 351.402 3.526 0 40 FHAB CC[C@H]1CCCCN1C(=O)CSc1nnc(C)n1-c1ccc(C)cc1 4835950 BEPHXGGBLPAJQB-INIZCTEOSA-N 358.511 3.767 0 40 FHAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1sc2ccccc2c1Cl 6852097 OXXNJTNKZFBLON-CQSZACIVSA-N 370.861 3.607 0 40 FHAB COc1ccc(NC(=O)[C@H](C)N(C)Cc2nc3ccccc3s2)cc1 15025718 AWMSAEDNESYRTK-ZDUSSCGKSA-N 355.463 3.764 0 40 FHAB Cc1cccc(OCc2nn(CC(=O)NC3CCCCC3)c(=S)o2)c1 409174557 NOQYHPPDXJAKGI-UHFFFAOYSA-N 361.467 3.542 0 40 FHAB COC(=O)c1sccc1NC(=O)c1cc(OC)ccc1Br 8944206 RMYGJYGZIPNLRF-UHFFFAOYSA-N 370.224 3.558 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(Br)cc2)cc1C 7218218 DSQUMKHTVNFUGM-UHFFFAOYSA-N 368.296 3.887 0 40 FHAB COc1ccc(CCc2nnc(NC(=O)/C=C/c3ccccc3)s2)cc1 9095441 KDFWIQSIPMSIKN-UKTHLTGXSA-N 365.458 3.984 0 40 FHAB Cc1nnc(SCC(=O)c2cc(C)n(CCc3cccs3)c2C)n1C 7426989 SFNUFFQJAZFXKW-UHFFFAOYSA-N 374.535 3.821 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(=O)n3c(nc2c1)CCC3 7651668 DZAAAZOTCJHCSL-UHFFFAOYSA-N 374.227 3.902 0 40 FHAB Cc1csc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1 7736777 SNVUHIUNGWKXIZ-CYBMUJFWSA-N 363.870 3.596 0 40 FHAB COc1ccc(CC(=O)Nc2cc(-c3ccc(CO)o3)ccc2OC)cc1 20137319 VUYOLPJQLKEQKA-UHFFFAOYSA-N 367.401 3.637 0 40 FHAB CCC[C@@H]1[C@@H](C)CCCN1c1ncnc2c1c(Br)nn2C 79017577 KEHZNJCYPMHRAC-WDEREUQCSA-N 352.280 3.531 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)c1 9861841 ZYIQNZRWHTYLSP-UHFFFAOYSA-N 363.797 3.771 0 40 FHAB O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCCOC1 79608927 LTMQBGJUWORCQW-VIFPVBQESA-N 352.645 3.568 0 40 FHAB CC(C)[C@@H](Cc1ccc(F)cc1)NCC(=O)N1CCc2sccc2C1 89544680 LAFUVEWWWTVYFK-GOSISDBHSA-N 360.498 3.629 0 40 FHAB CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCN(c2ccccc2F)CC1 20481903 HHTRXUVRYJDBHU-HXUWFJFHSA-N 356.441 3.640 0 40 FHAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1cccc(C(=O)N3CCCCC3)c1)C2=O 408721431 HQVYBYBEXSIHJE-HTAPYJJXSA-N 368.477 3.628 0 40 FHAB COc1cc(-c2nc3cnccn3c2Nc2ccc(F)cc2)ccc1O 35622705 WGNQSNSSORGYRC-UHFFFAOYSA-N 350.353 3.993 0 40 FHAB O=C(CCNC(=O)C(c1ccccc1)c1ccccc1)NCc1ccccc1 408736803 IFCOCBHWKGSLLD-UHFFFAOYSA-N 372.468 3.641 0 40 FHAB Fc1ccc(-n2cc(-c3ccccc3)c3c2ncn2nnnc32)cc1Cl 3852018 JEENJTHJRSJYMZ-UHFFFAOYSA-N 364.771 3.923 0 40 FHAB biogenic Cc1nc(-c2ccc([C@H](C)NC(=O)[C@H]3CCc4c[nH]nc4C3)cc2)cs1 525198962 ACUXMGQQAHICEI-LRDDRELGSA-N 366.490 3.824 0 40 FHAB CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1 36185124 ZDXBWMUUIAZABH-OAHLLOKOSA-N 368.355 3.819 0 40 FHAB Cc1noc(C2CCN(C(=O)NCCC34CC5CC(CC(C5)C3)C4)CC2)n1 61794792 YKCWWNIHGHKPOX-UHFFFAOYSA-N 372.513 3.874 0 40 FHAB COc1cccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1OC 222575474 WSQPAEVDIUXOLO-AFAVFJNCSA-N 355.463 3.688 0 40 FHAB COc1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)cc1OC 223665044 SWSOGYZPZWOHGR-UHFFFAOYSA-N 357.450 3.810 0 40 FHAB Cc1nc2ccccn2c1-c1nnc2sc(CCCc3ccccc3)nn12 227143386 FYCKROLRVFYHMO-UHFFFAOYSA-N 374.473 3.984 0 40 FHAB CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cn1 225877758 CUCIUDZYRRNSOP-UHFFFAOYSA-N 370.449 3.566 0 40 FHAB CCOc1ccccc1NC(=O)CCc1nc(-c2cccc(F)c2)no1 225800032 ZCSIPNIZQWAKDQ-UHFFFAOYSA-N 355.369 3.846 0 40 FHAB O=C(c1ccccc1Cl)N1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21 40386337 DFTMIZAGNDUKLM-KRWDZBQOSA-N 368.820 3.522 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)COc2cccc3c2CCCC3)c1 225355184 RSSQQUVUOIRHOJ-OAHLLOKOSA-N 369.461 3.839 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 222920775 AUWZUPFTBSLOFV-LJQANCHMSA-N 370.518 3.641 0 40 FHAB CSc1nsc(SCCC(=O)Nc2nc3ccccc3s2)n1 80338802 HPTDZTRVDJHOAK-UHFFFAOYSA-N 368.534 3.991 0 40 FHAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC(=O)N(C(C)C)C1 46128544 DANBPWQLYUWFJB-LBPRGKRZSA-N 372.387 3.690 0 40 FHAB O=C(NCc1ccccc1Cl)Nc1ccc(-c2nnnn2C2CC2)cc1 44016774 CCPOYEWHGZNCBL-UHFFFAOYSA-N 368.828 3.650 0 40 FHAB COc1cc(C)c([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OC 222565021 CBYGHSMHRGHXNH-BKTGTZMESA-N 369.490 3.997 0 40 FHAB O=C(CCc1nc(-c2cccnc2)no1)Nc1ccc(C(F)(F)F)cc1 225834580 CCUQUSCSVXAFNK-UHFFFAOYSA-N 362.311 3.722 0 40 FHAB FC(F)(F)C(F)(F)c1cnc(Cl)c(I)c1 91252239 XJJODLIJJLCPBI-UHFFFAOYSA-N 357.447 3.994 0 40 FHAB CN(C)Cc1cc([C@H]2CC[C@H](CN(C)C(=O)C[C@H]3C=CCC3)CC2)nn1C 257257911 KRPCGJGUTDFNKL-FHWLQOOXSA-N 372.557 3.570 0 40 FHAB C[C@@H]1CN(C)CC[C@H]1CCc1ccc(NC(=O)c2n[nH]c3c2CCC3)cc1 253603527 ZDJXYZAJHDCBSI-NVXWUHKLSA-N 366.509 3.671 0 40 FHAB CCCOC(C)(C)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1 260818206 XRTBTIRJUPZAFG-KRWDZBQOSA-N 362.514 3.941 0 40 FHAB CC(C)(C(=O)N[C@@H]1CCCOc2ccccc21)c1ccc2c(c1)OCCO2 624105693 HROSLSBBLPMBIU-QGZVFWFLSA-N 367.445 3.766 0 40 FHAB C=CC(=O)Nc1cc(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)ccc1F 1319162304 PRUZUMBVHPTUNL-KRWDZBQOSA-N 356.422 3.914 0 40 FHAB CSc1ccc(/C=C/C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)cc1 96120176 MBYBZRBUJLJKJF-AWNIVKPZSA-N 366.486 3.882 0 40 FHAB O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)C(=O)NCC2 96103677 LRYQYVUAKQSCIS-UHFFFAOYSA-N 362.351 3.563 0 40 FHAB COC1(CNC(=O)NC(c2ccccc2)c2ccccc2)CCSCC1 390826980 DFOGEGXOKCJQCW-UHFFFAOYSA-N 370.518 3.987 0 40 FHAB Cc1oncc1C(=O)Nc1ccc(NC(=O)/C=C/c2ccsc2)cc1 57236354 YJDUEHTXFFXBSN-FARCUNLSSA-N 353.403 3.949 0 40 FHAB Cc1nccc(-c2cccc(NCC(=O)N3CCc4sccc4C3)c2)n1 57863720 XRVZMWNTAZKINV-UHFFFAOYSA-N 364.474 3.510 0 40 FHAB COc1cc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)ccc1OC(F)F 3283598 XKAJYOXFSGQISO-MDWZMJQESA-N 363.291 3.780 0 40 FHAB O=C(Cn1nc(-c2ccc3ccccc3c2)ccc1=O)OCc1ccccc1 5398826 FVXJZFJOMFNMNH-UHFFFAOYSA-N 370.408 3.807 0 40 FHAB CC[C@H](C)N1C(=O)S/C(=C/c2c(OC)cc(OC)cc2OC)C1=O 5875810 DJSFWZIDAWQULR-CNOAHFENSA-N 351.424 3.547 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(N3CCCCC3)n2C2CC2)cc1 11369695 KISXFEQVWYKALB-UHFFFAOYSA-N 371.510 3.643 0 40 FHAB CCOc1ccc2cc(CNc3ccc(OC)c(OC)c3)c(=O)[nH]c2c1 12144335 UYKBOINLDXYIGL-UHFFFAOYSA-N 354.406 3.556 0 40 FHAB C[C@H](NC(=O)[C@H]1[C@@H]2[C@H]1CC[C@@]21CC(=O)c2ccccc2O1)c1ccccc1 12220890 MTUYDFNNRNSSRA-COWPUFRSSA-N 361.441 3.924 0 40 FHAB COc1cccc(CN2CCCC[C@H]2c2cc3nc(C)c(C)c(O)n3n2)c1 12337780 MJTQMVHIMSXLOC-IBGZPJMESA-N 366.465 3.788 0 40 FHAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2c(=O)n3c(nc2c1)CCC3 13137575 FUWHRTJVLFHLDS-UHFFFAOYSA-N 373.334 3.614 0 40 FHAB CCn1c(SCc2ccc(C(=O)O)o2)nnc1-c1ccccc1OC 14092732 IYJFKPRNTCHPSI-UHFFFAOYSA-N 359.407 3.557 0 40 FHAB Cn1ccnc1-c1nc(NCc2ccccn2)ncc1-c1ccccc1F 19291728 IFPROPOJILYGTI-UHFFFAOYSA-N 360.396 3.690 0 40 FHAB O=C(c1ccccc1F)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 19347523 FUHMRAUUBJCEEJ-LBPRGKRZSA-N 357.410 3.957 0 40 FHAB CC(C)c1cc(C(=O)N2CCC[C@@H](c3nnc(-c4ccsc4)o3)C2)on1 19452884 SPWLOULCBBGPBK-GFCCVEGCSA-N 372.450 3.929 0 40 FHAB Cc1nn(C[C@H](C)C(=O)Nc2cccc(CN3CCCC3)c2)c(C)c1C 19557001 KIBRCUFPGMSWJY-HNNXBMFYSA-N 354.498 3.679 0 40 FHAB Cc1nc(C)c(CC(=O)N2C[C@H]3C[C@H](Oc4ccccc4)C[C@H]3C2)s1 643250803 BYZPCELAGCNBFK-VQFNDLOPSA-N 356.491 3.618 0 40 FHAB Cc1ccc(S(=O)(=O)NCCc2csc(-c3ccccc3)n2)c(C)c1 4166859 QUNDJAWCRKATNF-UHFFFAOYSA-N 372.515 3.948 0 40 FHAB O=c1cc(C(F)(F)F)nc(SCc2ccc(Br)cc2)[nH]1 5155166 PXAHOMZGFICZKG-UHFFFAOYSA-N 365.174 3.844 0 40 FHAB O=c1ccc(-c2cccc(Br)c2)nn1Cc1ccccc1F 5388317 CJHIBTOJWIWNFV-UHFFFAOYSA-N 359.198 3.860 0 40 FHAB Cc1ccc2c(c1)NC(=O)c1cc(NS(=O)(=O)CC(C)C)ccc1O2 8961309 JIIDDNWZPCQWIO-UHFFFAOYSA-N 360.435 3.751 0 40 FHAB COc1ccc(CC(=O)OCc2cc(-c3ccc(F)cc3F)on2)cc1 11613692 XKTWIDPWQRXTKS-UHFFFAOYSA-N 359.328 3.914 0 40 FHAB COc1ccc2nc(-c3cccc(NC(=O)C4CCCCC4)c3)cn2n1 12441165 TYPFVEMPTSHQNV-UHFFFAOYSA-N 350.422 3.924 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)NCc1ccc([C@H](O)c2ccsc2)s1 207964819 QBPUUYJMXZXWRI-SCLBCKFNSA-N 373.499 3.975 0 40 FHAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1cc(-c2ccccc2F)on1 30040162 LXLZKFCOMAGAKO-UHFFFAOYSA-N 350.353 3.629 0 40 FHAB Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)c(Cl)c1 20095790 OVSXSIBFSNGFJW-UHFFFAOYSA-N 353.809 3.511 0 40 FHAB CSc1ncc(Cl)c(C(=O)Nc2cc(CC3CCCCC3)n[nH]2)n1 40155351 ISERVJONPINDDA-UHFFFAOYSA-N 365.890 3.950 0 40 FHAB CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccc(Cl)cc1 2503551 DGHPIAOUZGMKHR-IINYFYTJSA-N 364.854 3.552 0 40 FHAB COc1cccc(CCC(=O)N[C@H]2CCSc3ccccc32)c1OC 7987958 CWWDRQIMAAFGFF-INIZCTEOSA-N 357.475 3.990 0 40 FHAB CCNC(=S)N(Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 883145 ZJGUGEVPVOZVEE-UHFFFAOYSA-N 373.522 3.566 0 40 FHAB COc1ccc(Cl)cc1C(=O)CSc1nnc(-c2ccco2)n1C 919726 NQKXZQGLINIFPA-UHFFFAOYSA-N 363.826 3.712 0 40 FHAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)[C@@H]1Cc2ccccc2O1 7960687 AISGIZHGJQHRSK-IBGZPJMESA-N 374.444 3.614 0 40 FHAB CCCCN(C)C(=O)CN1C(=O)CC(c2ccccc2)=Nc2ccccc21 101354208 OEHSRQBMWFOVSQ-UHFFFAOYSA-N 363.461 3.803 0 40 FHAB CC(=O)c1cccc(NC(=O)c2cccc(I)c2)c1 3561812 JQBCQJQXUFZINE-UHFFFAOYSA-N 365.170 3.746 0 40 FHAB COc1cccc(C(=O)NC(=S)Nc2cccc3cc(O)ccc23)c1 6389214 NGNAZBNSFQLTGT-UHFFFAOYSA-N 352.415 3.681 0 40 FHAB CCOc1ccc(NC(=O)CNc2cc(C)ccc2OC)cc1OCC 7973008 GGJVITOZUIMTHE-UHFFFAOYSA-N 358.438 3.852 0 40 FHAB O=C1C[C@@H](C(=O)N2CCc3ccccc32)CN1c1cccc(C(F)(F)F)c1 7986387 RMIOBFYVECMCHN-CQSZACIVSA-N 374.362 3.648 0 40 FHAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)c2ccc3ccccc3n2)C1 102161856 PXYDUBDLEFXIKO-KSFYIVLOSA-N 366.461 3.819 0 40 FHAB Cc1cccc(OCC(=O)NCc2ccccc2CN2CCCCC2)c1C 10280805 ZDEQOJPMTPVKAA-UHFFFAOYSA-N 366.505 3.985 0 40 FHAB O=C(NCc1ccccc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 8476493 NQKVUQZMVJZNCA-UHFFFAOYSA-N 354.413 3.864 0 40 FHAB Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1ccc(Cl)cc1C(F)(F)F 32820107 CCFABWUHTQOWJB-UHFFFAOYSA-N 371.702 3.749 0 40 FHAB Cc1nc(-c2cc(C(=O)N(C)CCOc3ccc(F)cc3)n(C)c2)cs1 32841790 OYAZGWZHAMUECL-UHFFFAOYSA-N 373.453 3.747 0 40 FHAB Cc1ccc(OCCN(C)[C@H](C)C(=O)Nc2nc3ccccc3s2)cc1 32932826 NVNWWOPPABDBCD-OAHLLOKOSA-N 369.490 3.943 0 40 FHAB CC(C)c1nccn1Cc1cccc(NC(=O)N[C@@H](C)c2cn[nH]c2)c1 89893792 URNWGBNHHLJDCW-AWEZNQCLSA-N 352.442 3.661 0 40 FHAB Cc1ccc(C(=O)Nc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)cc1C 32914562 FICJPTDKYLUNIP-MRXNPFEDSA-N 362.433 3.952 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1noc(-c2ccc(C)cc2)n1 21800565 AAWZWEJFUZQWNX-MRXNPFEDSA-N 355.369 3.980 0 40 FHAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 683187 BODGYWOILNVQRF-UHFFFAOYSA-N 361.463 3.962 0 40 FHAB CC1(C)CC(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)CC(C)(C)N1 27969605 XHFZTILQWKUPMB-UHFFFAOYSA-N 374.916 3.624 0 40 FHAB CCc1cccc(C)c1NC(=O)CN1CCN(c2cccc(C)c2C)CC1 57364185 JLTHSDVIHVSQFM-UHFFFAOYSA-N 365.521 3.935 0 40 FHAB CCOc1ccc(C2=NN(C(C)=O)[C@H](c3ccc4nccnc4c3)C2)cc1 12409915 LBXFDXOGZUTPSC-NRFANRHFSA-N 360.417 3.726 0 40 FHAB O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1ccc(Cl)cc1 54348759 DELHLZJZGNRSBN-UHFFFAOYSA-N 357.841 3.898 0 40 FHAB COC(=O)c1ccoc1COC(=O)CCCc1nc2ccccc2s1 23451727 HYLQYKKCXTWRCR-UHFFFAOYSA-N 359.403 3.742 0 40 FHAB Cn1cnc2c3cc(Br)ccc3n(Cc3ccccc3)c2c1=O 1009458 HDTNHCWWTWCJFS-UHFFFAOYSA-N 368.234 3.699 0 40 FHAB CCCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(C)cc1)C3 20632492 NWCSMCRYDBCFQZ-AWEZNQCLSA-N 352.463 3.848 0 40 FHAB CC(C)c1ccccc1NC(=O)CNc1ccccc1N1CCCC1=O 12561506 YFHSNDWTXDPLRZ-UHFFFAOYSA-N 351.450 3.987 0 40 FHAB COC(=O)c1cccc2c1CCCN2C(=O)[C@@H](C)Oc1ccc(C)cc1 25191364 HNSHVYUOQZEHEW-OAHLLOKOSA-N 353.418 3.528 0 40 FHAB Cn1nnnc1NCc1cc(Cl)ccc1OCc1ccccc1Cl 22112181 NQHWWWQGVUZVNG-UHFFFAOYSA-N 364.236 3.708 0 40 FHAB Cn1cc(C(=O)Nc2ccccc2Br)c(=O)c2ccccc21 22234136 XHGXZJQTVUCSFC-UHFFFAOYSA-N 357.207 3.553 0 40 FHAB CC(=O)Nc1ccc(OC[C@H](O)COc2ccc3ccccc3c2)cc1 27211885 HAUKZISOELGSDG-IBGZPJMESA-N 351.402 3.617 0 40 FHAB C[C@]1(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)CC1(Cl)Cl 58364863 NHCRLZBRFLACTL-GOEBONIOSA-N 356.249 3.609 0 40 FHAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)c1ccc(F)cc1 2319654 NBNZBHHDXGUXHO-UHFFFAOYSA-N 356.353 3.745 0 40 FHAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1cccc(CN2CCCC2=O)c1 8130521 VCMUCRZDOKPTNQ-MRXNPFEDSA-N 366.461 3.617 0 40 FHAB COc1cn(-c2ccccc2)nc1C(=O)Nc1nc2c(s1)CCCCC2 12828945 GCAQRXPJYVNDTM-UHFFFAOYSA-N 368.462 3.859 0 40 FHAB O=C(Cc1csc(-c2ccsc2)n1)NCCc1nc2ccccc2[nH]1 12806193 KTMAVLPZGOKIBA-UHFFFAOYSA-N 368.487 3.649 0 40 FHAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccc(F)cc3)n2C)cc1 3417514 IAAZCENYSAEXMS-GFCCVEGCSA-N 371.437 3.993 0 40 FHAB CCN1C(=O)N/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1=O 409225794 LEMWLBKSXKWRCE-UKTHLTGXSA-N 350.296 3.878 0 40 FHAB Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(C(=O)NC2CC2)c1 8231956 AETLKLUDKQFMIE-UHFFFAOYSA-N 361.401 3.795 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccc2c(c1)OCO2 8270183 KKNSNYSAICWERM-UHFFFAOYSA-N 363.417 3.789 0 40 FHAB CC1=C(C)C[C@H](C(=O)Nc2sccc2C(=O)OC(C)C)[C@@H](C(=O)O)C1 17075086 PRYRDYOUSIGFQQ-KBPBESRZSA-N 365.451 3.699 0 40 FHAB COc1ccccc1C(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1O 408627115 KIDMOPXAQFICFX-UHFFFAOYSA-N 371.245 3.834 0 40 FHAB O=c1c2ccccc2nc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 20799243 NULFCDJEASQBGO-UHFFFAOYSA-N 356.381 3.841 0 40 FHAB C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)n1cnc2ccccc2c1=O 5205705 YKOMHUUGWZIXCY-NSHDSACASA-N 361.323 3.615 0 40 FHAB Cc1csc(NC(=O)c2oc3ccccc3c2CSc2nnc[nH]2)n1 14022078 YGNSLYGBPPPQFV-UHFFFAOYSA-N 371.447 3.860 0 40 FHAB CC[S@@](=O)c1ccccc1C(=O)O[C@H](C)C(=O)c1c[nH]c2ccccc12 14199132 BJZCIBVWSJZSRP-SRGMZFCMSA-N 369.442 3.724 0 40 FHAB O=C1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(F)cc2N1 14186876 DGDLUWPHLRXMPM-ZDUSSCGKSA-N 352.287 3.909 0 40 FHAB Cc1ccc(C(=O)N2CCN([C@H]3CCCc4ccccc43)CC2)cc1F 65622522 AIXYMAULJZSBFX-NRFANRHFSA-N 352.453 3.970 0 40 FHAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1 14247043 ZJKFDQLHXRXQFS-BMIGLBTASA-N 353.296 3.752 0 40 FHAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)CC2=O)cc1 4674774 PUHVKBLYXRTIDA-ZDUSSCGKSA-N 358.825 3.649 0 40 FHAB COc1ccccc1NC(=S)NC(=O)c1ccc(Br)cc1 5570267 FCPMXCRIUZUIJI-UHFFFAOYSA-N 365.252 3.585 0 40 FHAB COc1ccc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)c(OC)c1 15583793 KAYYKPDEOXTHGR-UHFFFAOYSA-N 374.824 3.736 0 40 FHAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Cl)cc1)cn2C 22237185 UYUBRXJHKWYBDE-UHFFFAOYSA-N 356.809 3.843 0 40 FHAB CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NCc2ccccc2)CC1=O 7608846 PFQOIZRTUDJBQY-FUHWJXTLSA-N 350.462 3.869 0 40 FHAB COc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc(C)c(O)c3)o2)cc1 9737290 PBNZYXXHKMKWRJ-LBPRGKRZSA-N 354.362 3.677 0 40 FHAB Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)NCc3cccs3)n2)cc1 9451513 ABULMQYKDORIKH-GFCCVEGCSA-N 358.492 3.639 0 40 FHAB O=C(Cc1cccc(F)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 19934982 QBMQRWNGFYNVCB-UHFFFAOYSA-N 366.358 3.736 0 40 FHAB C[C@H](Nc1cc(C(N)=O)c2ccccc2n1)c1cccc(-n2ccnc2)c1 78569458 LIOVQLSZRHRIHZ-AWEZNQCLSA-N 357.417 3.693 0 40 FHAB COc1ccccc1[C@H](C)CC(=O)NCC1([C@H](O)c2ccccc2)CC1 84636756 SPUCERKFUMNXPH-IIBYNOLFSA-N 353.462 3.819 0 40 FHAB O=C(N[C@H]1CCCOc2ccc(F)cc21)N(Cc1ccccn1)C1CC1 95369423 SYHHQOHGBUVGLX-SFHVURJKSA-N 355.413 3.809 0 40 FHAB C[C@@H](C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl)N1CCSCC1 95432684 BZMTWOWTOCQKOF-RYUDHWBXSA-N 361.338 3.950 0 40 FHAB CCOc1c(Br)cc(C(=O)NCC2(C)CCC2)cc1OC 75105503 ITMWQDHNOHELFT-UHFFFAOYSA-N 356.260 3.776 0 40 FHAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccccc1F 20144615 BCALSHFBNDBFOQ-UHFFFAOYSA-N 371.364 3.604 0 40 FHAB COc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C)c3cnn(C)c3n2)cc1 36616908 JAQCVSRQVCEJPY-CQSZACIVSA-N 364.449 3.659 0 40 FHAB COc1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1Cl 409092716 VZBSZEDEFHMJTE-UVTDQMKNSA-N 350.871 3.739 0 40 FHAB Cc1cc(Nc2cc([C@@H]3CCCN3C(=O)C3CCCCC3)nc(C)n2)[nH]n1 72359930 BFMUPADGFJCYFQ-KRWDZBQOSA-N 368.485 3.804 0 40 FHAB O=C(OCc1cc(-c2ccc(F)cc2F)on1)c1ccc2[nH]cnc2c1 38767314 AEOXGIJAQYVAAV-UHFFFAOYSA-N 355.300 3.853 0 40 FHAB CC(C)c1nccn1-c1nccnc1[C@@H]1CCCN(Cc2cccnc2)C1 72350559 XQBQJKHNSNICIS-GOSISDBHSA-N 362.481 3.560 0 40 FHAB Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCN2C(=O)c2ccccc2)n1 72354610 FRFYMMYVECHYRK-GOSISDBHSA-N 362.408 3.842 0 40 FHAB Cc1ccc2nc(CSCC(=O)Nc3cccc(Cl)c3)cc(=O)n2c1 33026782 YPNNJYLSYWOVMC-UHFFFAOYSA-N 373.865 3.528 0 40 FHAB Cc1cc(NC(=O)C(C)(C)Oc2nn(-c3ccccc3)cc2Cl)no1 227153277 QVHCXWYZEINABD-UHFFFAOYSA-N 360.801 3.618 0 40 FHAB COc1cc2c(cc1S(=O)(=O)N1c3ccccc3C[C@@H]1C)CCCC2 222583602 IHSWGWDRVNKWMN-AWEZNQCLSA-N 357.475 3.714 0 40 FHAB COc1ccccc1CN(C)C(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 224821815 SRISOGDINXKLJN-MRXNPFEDSA-N 353.462 4.000 0 40 FHAB O=C(CCCC(=O)Nc1cccc(C(F)(F)F)c1)Nc1cccnc1 199424524 JHJCGQFAJXHIND-UHFFFAOYSA-N 351.328 3.848 0 40 FHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1 44845968 WRJRCZGDIAPEDI-WSTZPKSXSA-N 360.542 3.945 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 223594022 MTZSSRUIZQCPTB-KRWDZBQOSA-N 370.518 3.641 0 40 FHAB O=C(C[C@H]1CC2(CCN(C(=O)C3CCC3)CC2)c2ccccc21)NC1CC1 96079512 OZUSGRMETYASOA-KRWDZBQOSA-N 366.505 3.503 0 40 FHAB Cc1ccc(CN2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)s1 96050624 XMHWAZOJBMGDMK-HXUWFJFHSA-N 358.482 3.820 0 40 FHAB COC[C@@H]1CN(Cc2cccs2)CC12CCN(Cc1ccccn1)CC2 247846082 MRCNLDJJBTYBNH-SFHVURJKSA-N 371.550 3.504 0 40 FHAB Cc1cc(CCNC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)on1 585082909 NYWIIJUCLDPMSS-OAQYLSRUSA-N 361.445 3.883 0 40 FHAB COc1ccc(-c2cc(C(=O)NC[C@@H]3CCOC3)c3ccccc3n2)cc1 41374840 STQWFYXPCUIHRQ-HNNXBMFYSA-N 362.429 3.677 0 40 FHAB COc1cc(OC)cc([C@@H](C(=O)O)N2CCc3ccc(F)cc3[C@@H](C)C2)c1 652511238 RSGRUIWAAMAEBA-RBZFPXEDSA-N 373.424 3.630 0 40 FHAB O=C(NCc1cnc(C(F)(F)F)nc1)N[C@@H]1CCCC12CCCCC2 661439702 DVIZBVNQBRGCFI-CYBMUJFWSA-N 356.392 3.798 0 40 FHAB COCc1ncc(-c2nccn2-c2cc(-c3ccccc3)ccc2O)cn1 72424052 HPDALNNTTMRUBV-UHFFFAOYSA-N 358.401 3.848 0 40 FHAB COC(=O)[C@H](NC(=O)c1cccc(C)c1F)c1cccc(C(F)(F)F)c1 1288528116 XSVAFIDOPRCGSZ-OAHLLOKOSA-N 369.314 3.797 0 40 FHAB COc1ccc(/N=C/c2ccc(OCC(=O)O)c(Br)c2)cc1 8116518 LQQVKKKZXXVOJL-GIJQJNRQSA-N 364.195 3.672 0 40 FHAB Cc1ccccc1Nc1nc(N)nc(CSc2nc3ccccc3o2)n1 5694681 LIMHWFZKBPWYBU-UHFFFAOYSA-N 364.434 3.939 0 40 FHAB CC(C)N(C(=O)N[C@H](c1ccc(F)c(F)c1)c1nccn1C)C(C)C 12114986 APGPUDDBJQAYLW-MRXNPFEDSA-N 350.413 3.616 0 40 FHAB O=C(CSc1nnc(-c2ccccc2Cl)o1)NCCc1ccccc1 12177581 PKJKJOVUWHWDSI-UHFFFAOYSA-N 373.865 3.841 0 40 FHAB O=C(C1CCCC1)N1CCCc2cc([C@H](O)CN3CCCCC3)ccc21 12291625 BNDPOGVNZJOCEF-OAQYLSRUSA-N 356.510 3.675 0 40 FHAB COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)Cn2nc(C)cc2C)cc1 12366618 MVLVSLMBYDHULT-LGGPRVQUSA-N 367.493 3.597 0 40 FHAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1OCC 13668682 DPZOCAHXQSHECM-OAHLLOKOSA-N 363.479 3.832 0 40 FHAB C[C@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccccc1F 13670514 JQNRHUJBNOQAEZ-ZDUSSCGKSA-N 351.418 3.782 0 40 FHAB Cn1c(SCc2ccc(C(N)=O)cc2)nnc1-c1ccc(Cl)cc1 14166335 LAUTZLRWJCUCRJ-UHFFFAOYSA-N 358.854 3.527 0 40 FHAB COc1ccc([C@@H]2CC(=O)c3cnn(-c4ccc(F)cc4)c3C2)cc1OC 17075199 UPXONAPTSKGVHA-AWEZNQCLSA-N 366.392 3.941 0 40 FHAB O[C@@H](CCCCCCCC[C@@H](O)CN1CCCCC1)CN1CCCCC1 17156267 KSBMOZRBGBWYTL-SZPZYZBQSA-N 368.606 3.801 0 40 FHAB Cc1ccc(-c2nnc(C3CCN(C(=O)/C=C/c4ccccc4)CC3)o2)cn1 19215208 BLYWZDFZDXDBSP-CSKARUKUSA-N 374.444 3.859 0 40 FHAB CC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1nnc(-c2cccc(C)c2)n1C 163948470 OMNWYJRUNHVWQB-KRWDZBQOSA-N 373.453 3.855 0 40 FHAB CC(C)(C)OC(=O)N1CCC(O)(Cc2ccc(Br)cc2)CC1 205149941 DWPRGIBAQWFDAB-UHFFFAOYSA-N 370.287 3.754 0 40 FHAB O=C(CSCc1ccccc1F)NCC1(c2ccccc2)CCOCC1 154441144 UNQKCEIKZKUENQ-UHFFFAOYSA-N 373.493 3.924 0 40 FHAB O=C(O)[C@H]1CC(F)(F)CN1C(=O)OCC1c2ccccc2-c2ccccc21 2385644 QLKUZDLPWHCYAO-QGZVFWFLSA-N 373.355 3.730 0 40 FHAB C[C@@H](N[C@H]1CCN(c2ncccc2Cl)C1)c1ccc(C(F)F)nc1 657904730 MINOIEJGRAILBW-YPMHNXCESA-N 352.816 3.997 0 40 FHAB C[C@H](CC(=O)Nc1ccccc1)NC1CCN(Cc2ccccc2)CC1 6788179 XLWINFFXDVVNRG-GOSISDBHSA-N 351.494 3.658 0 40 FHAB Cc1oncc1C(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1888947711 VZXCPKKMMUTYRC-UHFFFAOYSA-N 356.813 3.599 0 40 FHAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(Cn3cncn3)cc2)cc1 31776448 YDJHINOPNQCBHI-HNNXBMFYSA-N 370.478 3.641 0 40 FHAB CC1CCN(CC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)CC1 32510549 UVTYBRSDPCVLAM-INIZCTEOSA-N 357.479 3.751 0 40 FHAB O=C(O)c1cc(F)ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 33047667 JRAWTJJSXVJUNY-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB O=C1COC[C@@]2(CCN(Cc3ccc(Cl)cc3)C2)CN1c1ccccc1 2037984366 YPQYSJAYTAQUTE-OAQYLSRUSA-N 370.880 3.596 0 40 FHAB Cc1ccccc1C(=O)N1CCC2(CC1)CCN(c1ccsc1)C2=O 1565549991 LVUWQKDKLJPUDX-UHFFFAOYSA-N 354.475 3.716 0 40 FHAB CCNC(=O)CCc1csc(NC(=O)Nc2cccc(Cl)c2)n1 16849185 QJWAFUIUNFKCOE-UHFFFAOYSA-N 352.847 3.509 0 40 FHAB O=C(NC[C@H](O)c1cc(-c2ccco2)cs1)c1cc2ccccc2[nH]1 1775968894 OOFSMDUGXCFSGY-INIZCTEOSA-N 352.415 3.953 0 40 FHAB O=C(Cc1ccc(Br)cc1)NC[C@H]1CCCN1c1ccccc1 207990404 HJLCJXDVCUWMLR-GOSISDBHSA-N 373.294 3.777 0 40 FHAB Fc1cc(F)c2nc(N3C[C@@H]4CN(c5ccccn5)C[C@H]4C3)sc2c1 2298095510 KGSKVTMPDQDWHX-RYUDHWBXSA-N 358.417 3.542 0 40 FHAB O=C1Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3O)c3cccc1c23 11691591 PSWFVLHMWOUSRE-UHFFFAOYSA-N 374.805 3.565 0 40 FHAB Cc1ccc(OC[C@@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)cc1 23115075 LISXGLNYRLQXAL-IBGZPJMESA-N 374.912 3.519 0 40 FHAB O=C(NCc1cccc2ccccc12)NC[C@](O)(c1cccs1)C1CC1 75155361 NGIZCYHIEUIARI-OAQYLSRUSA-N 366.486 3.998 0 40 FHAB COc1ccc2nc(S[C@H](C)C(=O)Nc3ccc(F)cc3F)[nH]c2c1 7096472 RNXFRIOTBVDZOT-SECBINFHSA-N 363.389 3.969 0 40 FHAB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)CN1CCCc2ccccc21 51091720 IIQSENPKILHVQW-GOSISDBHSA-N 366.509 3.585 0 40 FHAB COc1ccc(CN(C)C(=O)c2cc(C3CC3)nc3onc(C)c23)cc1F 45700974 MLGVUMFJQJIEDL-UHFFFAOYSA-N 369.396 3.829 0 40 FHAB O=C(CSc1ncc2ccccn12)Nc1ccc(N2CCCC2)cc1 17046692 JKFAUZFUSJASLJ-UHFFFAOYSA-N 352.463 3.665 0 40 FHAB CCOc1ccccc1NC(=S)NC1C[C@H]2CCC[C@H](C1)N2C1CC1 1369669 AJUVTTRWDGSBFI-IAGOWNOFSA-N 359.539 3.920 0 40 FHAB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccc(F)cc1 20944762 NDGQQKNYQKOFCX-SFHVURJKSA-N 373.424 3.505 0 40 FHAB Cc1nc2ccc(NC(=O)CCCNC(=O)c3ccccc3)cc2s1 32517986 FFJDPONMNXFAGH-UHFFFAOYSA-N 353.447 3.753 0 40 FHAB Ic1n[nH]c2cccc(OCc3ccccc3)c12 4204198 FPQWZPOXRXOABQ-UHFFFAOYSA-N 350.159 3.747 0 40 FHAB CCC(=O)Nc1ccc(C(=O)COC(=O)c2cc3ccccc3o2)cc1 4332273 VJVALKVTDIMKSK-UHFFFAOYSA-N 351.358 3.821 0 40 FHAB CCCCCC(=O)Oc1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 102069220 HQURZWLYWHFSJF-YXUGBTPSSA-N 355.434 3.708 0 40 FHAB C[C@@H](NC(=O)c1cccnc1)c1nc(-c2ccc(C(C)(C)C)cc2)no1 4998178 WLWHPESXUORLAC-CYBMUJFWSA-N 350.422 3.920 0 40 FHAB CCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 6352246 YFMVZPNUWWWLNX-UHFFFAOYSA-N 366.870 3.507 0 40 FHAB CCN(CC)Cc1ccc(NC(=S)NC(=O)c2ccc(C)cc2)cc1 6629882 SBXYDCCSIAIRMQ-UHFFFAOYSA-N 355.507 3.964 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1NC(C)=O 7056193 MLNUQSOHVBCPIN-UHFFFAOYSA-N 362.451 3.578 0 40 FHAB COC[C@H](C)NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 7604429 IMLUTJPFDRQQLT-ZDUSSCGKSA-N 370.836 3.594 0 40 FHAB O=C(CSc1nnnn1C1CCCC1)Nc1cccc(C(F)(F)F)c1 7986567 BHPVIWBXCCAAMW-UHFFFAOYSA-N 371.388 3.538 0 40 FHAB O=C(OC1CCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 8833695 RLBMPZCOVHVHHB-UHFFFAOYSA-N 359.447 3.977 0 40 FHAB C[C@@H](OC(=O)[C@H]1COc2ccccc2O1)C(=O)C12CC3CC(CC(C3)C1)C2 32940093 KNKUOCYDGDQSEX-NCOGSFDNSA-N 370.445 3.544 0 40 FHAB CNC(=O)Nc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 32903260 MAVBLUPOXHBLLJ-UHFFFAOYSA-N 351.328 3.638 0 40 FHAB CC(C)c1nnc(SCC(=O)Nc2cccc(Br)c2)o1 59216822 BNUJEQSBYJEVNT-UHFFFAOYSA-N 356.245 3.686 0 40 FHAB O=C(Cc1cnc(-c2c(Cl)cccc2Cl)s1)N1CCOCC1 12389284 YCZJJEDSHSIDRL-UHFFFAOYSA-N 357.262 3.518 0 40 FHAB COCCOc1ccc([C@H](C)NC(=O)c2c(C)oc(C)c2C)cc1OC 53800776 GHGYNBYGRDLQSM-ZDUSSCGKSA-N 361.438 3.730 0 40 FHAB Cc1cc(/C=C/C(=O)N2CCN(Cc3ccsc3)CC2)c(C)n1C1CC1 23717363 RGRCQUQBOLRNLH-ZZXKWVIFSA-N 369.534 3.859 0 40 FHAB Cc1ccc(NC2=NN=C(c3ccc4c(c3)CC(=O)N4C)CS2)c(C)c1 12564164 QVKGIDBQMAEGLJ-UHFFFAOYSA-N 364.474 3.741 0 40 FHAB CCOC(=O)c1cccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1 25067556 YZKQWYBDCZKDMM-UHFFFAOYSA-N 353.353 3.645 0 40 FHAB Cc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)o1 28227965 NFCOUPKHSNORFX-RYUDHWBXSA-N 369.387 3.970 0 40 FHAB O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Br)cc2)N1 1510860 FPBHUDMWBLCBLN-JKSUJKDBSA-N 371.234 3.619 0 40 FHAB biogenic Cc1oc(C2CC2)cc1C(=O)N1[C@H]2CC[C@H]1CC(O)(c1cccnc1F)C2 100142656 FWKVQGMBNPNGOI-GJZGRUSLSA-N 370.424 3.654 0 40 FHAB CC(C)OC(=O)C[C@H](NC(=O)Nc1cccnc1)c1ccccc1Cl 12608763 QWEOFVGZKXSHEY-INIZCTEOSA-N 361.829 3.940 0 40 FHAB CCc1ccc2oc(-c3ccc(OC)cc3)c(O[C@@H](C)C(=O)O)c(=O)c2c1 1987735 CTMKFNNWVARUPV-LBPRGKRZSA-N 368.385 3.883 0 40 FHAB C[C@@H]1CCCN(Cc2ccccc2CNC(=N)NCc2ccccc2)C1 57887170 VUJHIYGIBRMEET-GOSISDBHSA-N 350.510 3.733 0 40 FHAB C=CC(=O)NCc1ccc(C(=O)N2CCCc3c(F)ccc(C)c32)cc1 108976208 XTZBQPXFZLEXDW-UHFFFAOYSA-N 352.409 3.529 0 40 FHAB C[C@H]1CCCN(Cc2ccccc2CNc2cncc(-n3cccn3)n2)C1 57984856 HRVMLAIZHCNBHR-KRWDZBQOSA-N 362.481 3.506 0 40 FHAB C[C@H](CNC(=O)Nc1cnc2ccccc2c1)N1CCc2sccc2C1 58087840 HUORRIVGMJEJKU-CQSZACIVSA-N 366.490 3.865 0 40 FHAB COc1ccccc1OCCNC(=O)N[C@H](C)c1cc2ccccc2o1 10037129 ONCLCRGSARAVKT-CQSZACIVSA-N 354.406 3.881 0 40 FHAB CC(C)(C)c1nc(CN[C@H](C(=O)Nc2ccccc2)c2ccccc2)no1 58163562 LFBQUEPAXZMQMA-SFHVURJKSA-N 364.449 3.837 0 40 FHAB CCCOc1ccccc1C(=O)NC[C@H](c1ccccc1OC)N(C)C 27794987 FPHNJZMEPKKSCR-GOSISDBHSA-N 356.466 3.517 0 40 FHAB biogenic C[C@@H]1CCCN(Cc2csc(NC(=O)[C@@]3(C)CC3(Cl)Cl)n2)C1 28683768 KUCSFPTUYSENCF-QMTHXVAHSA-N 362.326 3.897 0 40 FHAB Clc1ccccc1-c1nn2c(Cn3cnc4ccccc43)nnc2s1 2438572 SLPWMTMHGCYLCF-UHFFFAOYSA-N 366.837 3.904 0 40 FHAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCCN1C(=O)C1CC1 48367123 RLNYRNUGSFAXMF-CYBMUJFWSA-N 360.763 3.698 0 40 FHAB CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CN1CCC[C@@H](C)C1 12858572 BMFOXBJYAQQZII-SJLPKXTDSA-N 373.541 3.601 0 40 FHAB C[C@@H](Oc1ccccc1C(N)=O)C(=O)Nc1ccc(SC(F)F)cc1 12859257 VCYDKHKCLFROPU-SNVBAGLBSA-N 366.389 3.506 0 40 FHAB COC(=O)C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccccc1Cl 12974176 KUPYICZDNVJJLG-GOSISDBHSA-N 370.836 3.784 0 40 FHAB Cc1ccc(NC(=O)NCC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 12925697 XTRFJRMGXVMTNF-AWEZNQCLSA-N 351.406 3.740 0 40 FHAB Cc1ccc(NC(=O)[C@H](Sc2nnnn2C)c2ccccc2)cc1Cl 3513033 DCFKYNUWDQCNMG-OAHLLOKOSA-N 373.869 3.644 0 40 FHAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN(C(=O)c2ccoc2)C1 13010037 NISZFXUNTPRZSV-LBPRGKRZSA-N 366.339 3.789 0 40 FHAB Cc1ccc(-n2c(C)nnc2S[C@@H](C)C(=O)NCc2cccs2)cc1 9155536 YMPCMLAIDHZQKS-ZDUSSCGKSA-N 372.519 3.743 0 40 FHAB CCn1c(-c2ccccc2)cc(C)c(S(=O)(=O)c2ccccc2)c1=O 4090572 RQXAVTHGOKLSNJ-UHFFFAOYSA-N 353.443 3.676 0 40 FHAB CCCC[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1ccccc1 17969006 MVNVHGOJCFGFJL-QRVBRYPASA-N 368.408 3.694 0 40 FHAB c1csc(-c2noc(CN3CCN(CCCc4ccsc4)CC3)n2)c1 96008306 WDTRZJSEHFHONM-UHFFFAOYSA-N 374.535 3.610 0 40 FHAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2nc3ccccc3s2)C1=O 4308419 VBEGUFOOKUVGHM-LJQANCHMSA-N 369.421 3.793 0 40 FHAB C=C1c2cc3c(cc2CCN1C(=O)c1ccccc1Br)OCO3 5347850 OGAWROJUYQGLEU-UHFFFAOYSA-N 372.218 3.847 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)c1ccc(CSC)cc1)CC2 5347120 OTCRYTHVXAIHMY-UHFFFAOYSA-N 357.475 3.765 0 40 FHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cccc(OC(F)F)c1 14118679 CMTZARLTBCJXDY-CYBMUJFWSA-N 372.375 3.702 0 40 FHAB CCN(CC)Cc1ccc(CNC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 14184446 ABKBRPZJTXUXCV-UHFFFAOYSA-N 355.482 3.606 0 40 FHAB CCOc1ccc(OC[C@H](O)CN(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1 14238472 YAYSSCCEOUOSQC-RZQQEMMASA-N 359.466 3.673 0 40 FHAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(OC)c2OC)N3)C1 6594383 VKXXJVCPAPHWCH-QGZVFWFLSA-N 373.478 3.572 0 40 FHAB CN(C)c1ccc(-c2nn3c(COc4ccc(F)cc4)nnc3s2)cc1 6669715 CUPPUPFIXIZEME-UHFFFAOYSA-N 369.425 3.637 0 40 FHAB CC(=O)C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21 4987790 KFTUVCSTVAVNCD-GOSISDBHSA-N 364.228 3.707 0 40 FHAB C[C@@H]1CN(C(=O)C2(c3ccccc3)CCOCC2)C[C@@H](c2ccccc2)O1 67827317 WYZNSIFRAOLJKH-NQIIRXRSSA-N 365.473 3.723 0 40 FHAB COCc1c(C(=O)Nc2ccc(C(=O)N(C)C)cc2)oc2ccccc12 7595365 OYVQDUBVBCREDR-UHFFFAOYSA-N 352.390 3.533 0 40 FHAB NC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 16182291 NRANUAFIBVEWJO-UHFFFAOYSA-N 350.349 3.969 0 40 FHAB Cc1cc(C)c(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c(C)c1 22511920 SETJOHWMFWDSOG-UHFFFAOYSA-N 372.490 3.848 0 40 FHAB COc1cc(C(=O)OCC(=O)c2ccc(F)c(F)c2)ccc1OC(C)C 9056052 XOUGVQZIKRMCTM-UHFFFAOYSA-N 364.344 3.800 0 40 FHAB CCn1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)c2ccccc21 16402789 ABAJCPHLDPMLMN-GFCCVEGCSA-N 371.824 3.894 0 40 FHAB CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccc1OC 9210341 FDQTVGLGEAEMIB-UHFFFAOYSA-N 350.418 3.507 0 40 FHAB CCN(Cc1cccc(C(F)(F)F)c1)Cc1nc2ccccc2c(=O)[nH]1 9314129 IQRSTAXZPSDVAZ-UHFFFAOYSA-N 361.367 3.964 0 40 FHAB CC(C)CC1(CNC(=O)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 89821082 NHEKVJMNZBECBL-MRXNPFEDSA-N 352.519 3.966 0 40 FHAB CN1CCC(CCNC(=O)c2cccc(OCc3ccccc3)c2)CC1 110066404 DMDLBWUONMMBEC-UHFFFAOYSA-N 352.478 3.727 0 40 FHAB Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@@H](C)n2cncn2)c(C)c1 97002282 YKOGNWYMQYAFII-OAHLLOKOSA-N 366.469 3.578 0 40 FHAB Cc1cc(C)n(-c2cccc(C(=O)NCCc3c[nH]c4ccccc34)c2)n1 72404949 KRWOUBHUPFMOQI-UHFFFAOYSA-N 358.445 3.943 0 40 FHAB O=C(OCC(=O)N(C1CCCC1)C1CC1)[C@H]1CCCC[C@@H]1C(F)(F)F 84543853 MOCMZJKPLARJOA-GJZGRUSLSA-N 361.404 3.832 0 40 FHAB Cc1ccccc1[C@@H](C)NS(=O)(=O)c1cccc(OC(F)(F)F)c1 24370350 PBJVORPJMDTALP-GFCCVEGCSA-N 359.369 3.933 0 40 FHAB O=C(O)c1cccc(-c2ccc([C@@H]3SCC(O)=Nc4[nH]ncc43)o2)c1 79486149 MKTQEMZTTFSMBX-OAHLLOKOSA-N 355.375 3.792 0 40 FHAB Cc1nn(-c2ccccc2)c(Cl)c1CSc1ncnc2nc[nH]c12 73966282 DJCPUYPPDCEXFW-UHFFFAOYSA-N 356.842 3.793 0 40 FHAB N=c1oc2c3c4c(cc2cc1C(=O)Nc1ccccc1)CCCN4CCC3 4058620 CYJZXMHOXJBFQQ-UHFFFAOYSA-N 359.429 3.863 0 40 FHAB aggregator CCOc1cc(=O)n2c(c1C(=O)OCc1cccc(C)c1)CCCCC2 67350343 FEFJDDFZFASJML-UHFFFAOYSA-N 355.434 3.639 0 40 FHAB COc1cccc(-c2cncc([C@H]3CCCN(C(=O)c4cccnc4)C3)n2)c1 72359496 QMEIZROQIVOOFS-SFHVURJKSA-N 374.444 3.567 0 40 FHAB CCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OCC)cc2)SC1=S 35648424 MDHWNDWOYFLUSF-PCRWRXJSSA-N 365.476 3.540 0 40 FHAB COc1ccc(CN2C[C@@H](N(C)C)[C@H](c3cn(C)c4ccccc34)C2)cc1 72395136 LKHNOGWQCOQSNG-JTHBVZDNSA-N 363.505 3.717 0 40 FHAB O=C(O)CCC1CCN(C(=O)c2cccc3c4c([nH]c23)CCCC4)CC1 538585065 AGUAARBZQLXHFH-UHFFFAOYSA-N 354.450 3.764 0 40 FHAB O=C1S/C(=C/c2ccccn2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 32125448 QZVGJUWQGSNHFH-GIDUJCDVSA-N 374.805 3.700 0 40 FHAB O=C(CSc1nc([C@H]2CCCO2)n[nH]1)Nc1ccc2ccccc2c1 32873974 CYNAIOVQNFFECB-OAHLLOKOSA-N 354.435 3.540 0 40 FHAB CC(C)(C)CC(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1 56945310 OACCKUMPPNFVMO-LJQANCHMSA-N 369.509 3.695 0 40 FHAB Clc1cccc(Cl)c1Cc1nn2c(-c3cnccn3)nnc2s1 36353830 DFZITGGIFXKUCT-UHFFFAOYSA-N 363.233 3.540 0 40 FHAB COc1ccccc1-c1nnc(C2CCN(C(=O)CC(C)C)CC2)s1 38666611 HKCXBTJBYHKDOH-UHFFFAOYSA-N 359.495 3.966 0 40 FHAB COc1ccc(NC(=O)c2cc(C(C)C)nc3onc(C)c23)c(OC)c1 36360950 ZESHRQHAARDABX-UHFFFAOYSA-N 355.394 3.924 0 40 FHAB CCCC(=O)Nc1ccc(SCc2cc(=O)n3oc(C)cc3n2)cc1 35429499 KCQBYSCDFLGWNT-UHFFFAOYSA-N 357.435 3.627 0 40 FHAB O=C(N/C(=C\c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1 33247259 FHNHTWQPBGWVJX-CAPFRKAQSA-N 363.438 3.889 0 40 FHAB COc1ccc2c(c1)[C@H](NC(=O)Cc1ccc(OC)c(C)c1)CC(C)(C)O2 223393457 YVPRZCDHDFXNCW-GOSISDBHSA-N 369.461 3.973 0 40 FHAB Cn1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 224448995 JGVKQJUROZBIDN-QZTJIDSGSA-N 352.438 3.736 0 40 FHAB COc1ccc(O[C@H](Cc2ccc(Br)cc2)C(=O)O)cc1 225066390 TVNCDPCGIDLNCA-OAHLLOKOSA-N 351.196 3.532 0 40 FHAB Cc1ccc(C(=O)Nc2cccc3ccccc23)cc1N(C)S(C)(=O)=O 222447110 SEXLQHKZJSQMFE-UHFFFAOYSA-N 368.458 3.796 0 40 FHAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 222778477 RBTLEQWPAAASKI-MSOLQXFVSA-N 352.463 3.517 0 40 FHAB Cc1ccc(CN2CCC(C(=O)NCCOc3ccccc3C)CC2)cc1 224530776 PJHKMCUENSFQGP-UHFFFAOYSA-N 366.505 3.711 0 40 FHAB CCOc1ccc(-c2nc(-c3ccc(Br)o3)n[nH]2)cc1OC 85384505 VSHZWVMCBHJKNW-UHFFFAOYSA-N 364.199 3.902 0 40 FHAB CCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C 224192197 GCRWRPIQASYQRI-FQEVSTJZSA-N 366.505 3.951 0 40 FHAB O=C(Nc1nc(-c2ccccn2)cs1)c1cc(-c2cccs2)[nH]n1 95476566 BXNAIYHYIGXIBM-UHFFFAOYSA-N 353.432 3.909 0 40 FHAB O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)N1CCc2ncncc2C1 96122779 GFTBJUCAWIMGOS-UHFFFAOYSA-N 369.774 3.666 0 40 FHAB CC(=O)N1Cc2ccccc2O[C@H]([C@@H]2CCCN(C[C@@H]3CC=CCC3)C2)C1 247950273 QMGLMUCBHRPOGI-VIZSFHNOSA-N 368.521 3.864 0 40 FHAB Cc1cc(C)cc(-n2nc(C(=O)O)c(N3CC[C@H](c4ccccc4)C3)n2)c1 256049105 YEIWVFDZWUWSGV-KRWDZBQOSA-N 362.433 3.576 0 40 FHAB O=C(c1cnc2[nH]cnc2c1)N(CCc1ccccc1)Cc1ccccc1 677948977 GPOXZBUOUHOBCF-UHFFFAOYSA-N 356.429 3.843 0 40 FHAB COc1ccc2cc(C(=O)Nc3ccc(C)c(N4CCCC4=O)c3)[nH]c2c1 96098377 XDXDAPNUWGBAOC-UHFFFAOYSA-N 363.417 3.864 0 40 FHAB Cc1cccc(Oc2ncccc2NC(=O)N2C[C@H](O)C(C)(C)C2)c1C 572105148 QCXIMEDPWPWYFL-KRWDZBQOSA-N 355.438 3.725 0 40 FHAB C[C@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N1CCc2ccccc2C1 67952473 ZZZKCMGAQPIICR-SUMWQHHRSA-N 352.409 3.619 0 40 FHAB COc1ccc(C(C)(C)CNC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 63630768 UVRWJWHMBRSOBV-UHFFFAOYSA-N 363.461 3.963 0 40 FHAB O=C(Nc1ccc(N2CCC(O)CC2)cc1)c1cnc(Cl)c(Cl)c1 58878705 BTXDRUFWHHNWJZ-UHFFFAOYSA-N 366.248 3.602 0 40 FHAB Cc1cccn2c(NC(=O)N(C)C[C@@H]3CCOC3)c(-c3ccccc3)nc12 78535474 GKCWDQAHKHZXFC-INIZCTEOSA-N 364.449 3.810 0 40 FHAB COC(=O)c1cccc(C(=O)N2CCOc3ccc(C(F)(F)F)cc32)c1 83897353 DSCOQVGJXOKTQY-UHFFFAOYSA-N 365.307 3.531 0 40 FHAB CCCO[C@H]1CCCN(Cc2cn(CC(=O)NC(C)C)c3ccccc23)C1 12364447 GSLSGQLOTILTGT-IBGZPJMESA-N 371.525 3.557 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)CSc1nc(O)c2ccccc2n1 12401788 BAZGEONHJRHCHX-CQSZACIVSA-N 367.474 3.565 0 40 FHAB biogenic,in-vitro COc1ccc2c(c1)CCC[C@]21NC(=O)N(Cc2ccc(Cl)cc2)C1=O 12791625 GQVRVHLCSFDNJY-FQEVSTJZSA-N 370.836 3.632 0 40 FHAB Cc1ccc(NC(=O)Cn2c(C)nc3cc4c(cc32)OCCO4)cc1Cl 13095398 AOKWVEYYVGPOLV-UHFFFAOYSA-N 371.824 3.716 0 40 FHAB Cc1nn2c(nc1=O)SC[C@H](Sc1ccccc1)[C@H]2c1ccccc1 16779254 YVFSJUHCEQPPGQ-DLBZAZTESA-N 367.499 3.803 0 40 FHAB O=C(NCc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 17323924 MKVZMDZWACSNTB-ZDUSSCGKSA-N 363.244 3.663 0 40 FHAB Cc1ccc([C@@H](NC(=O)[C@@H](C)Cn2cc(Cl)cn2)c2cccnc2)cc1 19136568 IYIFACMFHWVBBV-HNAYVOBHSA-N 368.868 3.782 0 40 FHAB CC(=O)N1CCC[C@H]1c1cc(N2CCN(C3CCCCC3)CC2)cc(C)n1 19698256 NINXLPBWHUATEO-QFIPXVFZSA-N 370.541 3.528 0 40 FHAB Cc1ncc(CN2CC[C@H](c3cc(COc4ccccc4F)[nH]n3)C2)s1 19704320 VJXOYXDQFYSJDQ-AWEZNQCLSA-N 372.469 3.882 0 40 FHAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)OC(C)C)C3=O)c[nH]c12 8087996 SUUSNNDQHHDRFG-NVNXTCNLSA-N 372.446 3.718 0 40 FHAB Cc1ccc(/C=C(/Sc2nc3ccccc3[nH]2)C(=O)O)cc1[N+](=O)[O-] 7342961 KAUHLYCOOOXYOU-OQLLNIDSSA-N 355.375 3.997 0 40 FHAB C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 7309559 HLOAQCJCEKXILX-LBPRGKRZSA-N 354.269 3.531 0 40 FHAB CC(=O)c1ccc(OCC(=O)Nc2nnc(C3CCCCC3)s2)cc1 14679159 MTLKOHXBQWKWSU-UHFFFAOYSA-N 359.451 3.806 0 40 FHAB COCc1ccc(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 31960179 JFQJAPUOJVVZSF-UHFFFAOYSA-N 373.474 3.802 0 40 FHAB Cn1ccc2cc([C@@H](O)CNC(=O)c3cc4ccccc4s3)ccc21 252498342 QZEKBWUQKRSRJN-KRWDZBQOSA-N 350.443 3.856 0 40 FHAB Cc1ccc(C(=O)NC2CCC3(CCC(=O)N3Cc3ccccc3)CC2)o1 1565554222 UMQZIMZMIHZCFG-UHFFFAOYSA-N 366.461 3.822 0 40 FHAB COc1ccc(-c2noc(-c3cc4ccccc4oc3=O)n2)cc1OC 623057 YLMMSRXGFFTAGJ-UHFFFAOYSA-N 350.330 3.527 0 40 FHAB O=C(COc1ccccc1F)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 5099299 HJGZPQQRBZYPII-UHFFFAOYSA-N 368.408 3.532 0 40 FHAB Cc1cc(C)nc(NC(=O)c2cnc3c(C(F)(F)F)cccc3c2O)n1 12421861 UABKRFXKHZMVJL-UHFFFAOYSA-N 362.311 3.618 0 40 FHAB CC(C)NC(=O)C1(Nc2ccccc2)CCN(Cc2cccs2)CC1 2055756571 YXVNMMDYDYDCAV-UHFFFAOYSA-N 357.523 3.719 0 40 FHAB Cc1nc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc2n1 1775973532 FIXOZXLHZHRWRT-UHFFFAOYSA-N 357.454 3.964 0 40 FHAB COc1ccc(C[C@@](C)(O)CNC(=O)/C=C/c2ccc(SC)cc2)cc1 206706928 JTDHLMDPKJVRMC-CDDKBXLESA-N 371.502 3.540 0 40 FHAB O=C(NCc1nccnc1-c1ccoc1)c1cccc(Oc2ccccn2)c1 575620997 SKLRPQMTLZEHKV-UHFFFAOYSA-N 372.384 3.854 0 40 FHAB C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(N2CCCC2=O)cc1 31700425 OWTDCCBYFACYBP-OAHLLOKOSA-N 364.445 3.708 0 40 FHAB O=C(COc1ccc2c(c1)OC1(CCCCC1)CC2=O)Nc1ccncc1 20719832 QECWVZLQEIOINB-UHFFFAOYSA-N 366.417 3.767 0 40 FHAB Brc1ccc2c(c1)C=C(c1nnc(-c3ccccn3)o1)CO2 20721533 KBBHTBMPQKVRDT-UHFFFAOYSA-N 356.179 3.827 0 40 FHAB CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCCc2ccccc21 60167974 IZGYZHVBRVUGBR-LJQANCHMSA-N 372.459 3.975 0 40 FHAB Cc1cc(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c2c(O)nn(C)c2n1 32680330 CPQLHOOXWKTONA-UHFFFAOYSA-N 366.465 3.552 0 40 FHAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCCCCC1 6947956 ATLDDPRGFLTKDA-UHFFFAOYSA-N 372.538 3.774 0 40 FHAB COc1ccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 7214346 OMZSYVDCBWRWMN-UHFFFAOYSA-N 360.262 3.823 0 40 FHAB CN(C)Cc1cc([C@H]2CC[C@H](CN(C)C(=O)[C@H]3CC=CCC3)CC2)nn1C 100687662 RFNKGEGOGLAGJD-OTWHNJEPSA-N 372.557 3.570 0 40 FHAB O=C(c1cccc2cccnc12)N1CCN(C/C=C/c2ccccc2)CC1 32716592 FCJBSIVZBXEIAG-RMKNXTFCSA-N 357.457 3.706 0 40 FHAB COC(=O)N[C@@H](C)c1nc2ccccc2n1CCOc1ccccc1OC 41146097 DLRVIEWBLQIAND-AWEZNQCLSA-N 369.421 3.541 0 40 FHAB CCc1cccc(CC)c1NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 10314204 KBSAYZZPRPOAIZ-UHFFFAOYSA-N 360.479 3.744 0 40 FHAB Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)c1 10324343 QRKCIBIUTXYGDP-KRWDZBQOSA-N 374.506 3.713 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)COc2ccc(C)cc2)c(OC)c1 32820704 TXNOCADGJHTLBX-IBGZPJMESA-N 355.434 3.755 0 40 FHAB CCOc1cc(C=O)ccc1OCc1nc(-c2ccc(OC)cc2)no1 8006783 VGCSWRZWJCRQLQ-UHFFFAOYSA-N 354.362 3.535 0 40 FHAB COc1cc(NC(=O)COC(=O)CCC2CCCC2)c(OC)cc1Cl 10789044 DSNKEULBQSOEHY-UHFFFAOYSA-N 369.845 3.809 0 40 FHAB CN(Cc1nnsc1Cl)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 52638604 KOGVMNVBQASQFP-RYUDHWBXSA-N 364.685 3.588 0 40 FHAB Cc1cc(C)nc(Sc2ccc(NC(=O)/C=C/c3cnn(C)c3)cc2)n1 22378416 JVHKTMXHCKOMEO-RUDMXATFSA-N 365.462 3.630 0 40 FHAB Cc1ccccc1C(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 22528012 YQMCTZBOSHNCEC-UHFFFAOYSA-N 373.478 3.997 0 40 FHAB Cc1sc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)nc1-c1ccccc1 23078701 UCOHWCUSJLSLCL-UGSOOPFHSA-N 373.503 3.511 0 40 FHAB CCOc1cc(NC(=O)N(C)Cc2ccc3c(c2)OCCO3)ccc1OC 47581658 FIJRGEPJUQTJPQ-UHFFFAOYSA-N 372.421 3.529 0 40 FHAB CCOC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl 20051065 QKUVNUAELVUODS-UHFFFAOYSA-N 353.827 3.626 0 40 FHAB Cc1cc2ncn(CN3CCC(NC(=O)c4ccccc4)CC3)c2cc1C 12527531 APYDACWZAQNJDU-UHFFFAOYSA-N 362.477 3.505 0 40 FHAB Cc1nc2ccc(NC(=O)c3ccc(CN4CCOCC4)cc3)cc2s1 24529302 JIIFQQXVVXAICE-UHFFFAOYSA-N 367.474 3.689 0 40 FHAB CCOc1ccc(N2C(=O)C[C@@H](Nc3cccc(C(C)C)c3)C2=O)cc1 12526786 SKUKWODCUUSYEF-LJQANCHMSA-N 352.434 3.953 0 40 FHAB COc1ccc(-c2ccnc3nc(N4CCc5ccccc54)[nH]c(=O)c23)cc1 22606818 WIVPJXHGQNMXCE-UHFFFAOYSA-N 370.412 3.688 0 40 FHAB CN(C(=O)c1cc(Cl)cn(Cc2ccccc2)c1=O)c1ccccc1 1400074 SGMGWSZFEXSXPR-UHFFFAOYSA-N 352.821 3.827 0 40 FHAB C[C@@H](NC(=O)COC(=O)COc1ccc2ccccc2c1)c1ccccc1 3248248 BCHVITSYPSPBBX-MRXNPFEDSA-N 363.413 3.639 0 40 FHAB CCCNC(=O)[C@H]1CCCN1c1ncnc2sc(-c3ccccc3)cc12 3327204 GVUFKUOBFYQUDU-MRXNPFEDSA-N 366.490 3.853 0 40 FHAB COc1ccc2nc(C)c(C(=O)Nc3cccnc3N3CCCC3)cc2c1 44541833 SBHDQQBIMMUPIH-UHFFFAOYSA-N 362.433 3.799 0 40 FHAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)N(Cc2ccccc2)C1 12786327 FWISLSFHAXWMQC-ZDUSSCGKSA-N 363.244 3.981 0 40 FHAB Cc1ccc(NC(=O)COc2cccc3c2CCC3=O)c(Br)c1 10197771 ZAOZAOPNHJOVLH-UHFFFAOYSA-N 374.234 3.904 0 40 FHAB COCC(=O)Nc1ccc(NC(=O)N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 58162775 FFELXQALUPKUFV-ZTFGCOKTSA-N 361.486 3.854 0 40 FHAB CCOC(=O)Nc1cccc(N[C@@H](C(=O)NC2CC2)c2ccccc2)c1C 58165938 ZGJTVDCSNJREJA-LJQANCHMSA-N 367.449 3.995 0 40 FHAB COc1cccc2cc(C(=O)NCC3(c4ccccc4)CCC3)c(=O)oc12 10221404 CJJPGKNWRYFGGB-UHFFFAOYSA-N 363.413 3.653 0 40 FHAB O=C(NCc1cccs1)[C@@H]1CCC[C@@H](C(=O)NCc2cccs2)C1 58218066 XLBMSFCWRVBJMX-ZIAGYGMSSA-N 362.520 3.549 0 40 FHAB CCOc1cc2c(cc1NC(=O)CSCc1ccccn1)O[C@H](C)C2 58283556 QIDCQKRQLHQWMC-CYBMUJFWSA-N 358.463 3.676 0 40 FHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CCN(c2ccc(F)cc2)CC1 22524064 RFOHXEZANUWRFO-HXUWFJFHSA-N 370.468 3.949 0 40 FHAB O=S(=O)(c1csc(-c2ccc(F)cc2)n1)N1CCc2ccccc21 58358260 SPTOHZFDKHCGGG-UHFFFAOYSA-N 360.435 3.701 0 40 FHAB O=C(N[C@@H]1CCOc2ccccc21)[C@H]1CCCN(Cc2cccc(F)c2)C1 58423469 LHSJRDOYLDHFDF-FXAWDEMLSA-N 368.452 3.678 0 40 FHAB Cc1cc(NC(=O)CCc2c(C)nn(C)c2C)ccc1Br 10511010 LPFRNJNJTIZUKK-UHFFFAOYSA-N 350.260 3.679 0 40 FHAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2cc(C)ccc2C)cc1 2441118 UNRDQJMFJNBFMF-UHFFFAOYSA-N 373.456 3.620 0 40 FHAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3oc(=O)sc3c2)c1C 2493409 PXPOPEPRQMRTGI-UHFFFAOYSA-N 363.460 3.889 0 40 FHAB O=C(Cn1nc(C(F)F)c2c1CCC2)NCC12CC3CC(CC(C3)C1)C2 36613664 BUIKEJMOGLPZTI-UHFFFAOYSA-N 363.452 3.642 0 40 FHAB CCC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(C)c1 408607575 NGBGFLXRYMDQEL-HNNXBMFYSA-N 360.479 3.714 0 40 FHAB COc1cccc(/C=C/C(=O)OCC(=O)c2c[nH]c3ccccc23)c1OC 3429433 SOHSMAHAMNIVTN-ZHACJKMWSA-N 365.385 3.624 0 40 FHAB aggregator O=C(COC(=O)c1ccc(Cl)nc1)NCc1ccc(Cl)cc1Cl 3470622 VMEIZGHRXDOUAG-UHFFFAOYSA-N 373.623 3.515 0 40 FHAB CON(C)C(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 12988168 YIQLSELEZYDMAV-UHFFFAOYSA-N 355.825 3.885 0 40 FHAB CCOc1cc2c(cc1NC(=O)c1cccc(NC(C)=O)c1)O[C@H](C)C2 12945074 CHDONBGZJUQCQE-GFCCVEGCSA-N 354.406 3.619 0 40 FHAB COc1ccc(-c2noc(CCC(=O)Nc3cccc(C(C)=O)c3)n2)cc1 8734248 HFFUZBMZQJXJMN-UHFFFAOYSA-N 365.389 3.519 0 40 FHAB COC(=O)c1c(C)cccc1NC(=O)c1c(-c2ccccc2)noc1C 8749923 PTWRASWYORDWLE-UHFFFAOYSA-N 350.374 3.997 0 40 FHAB CCOc1ccc(-c2nnc(NC(=O)c3ccc(OC)cc3)s2)cc1 8738304 AQZXKSOXNYYDBN-UHFFFAOYSA-N 355.419 3.865 0 40 FHAB Cc1c(Cl)cccc1NC(=O)COC(=O)COc1ccc2c(c1)CCC2 5241169 ZHGQPXGCDJEGSN-UHFFFAOYSA-N 373.836 3.698 0 40 FHAB CCCCCC[C@H](C)NC[C@@H](O)COc1ccc(C(=O)OCC)cc1 14094905 VVXQWQNIIRTXJZ-FUHWJXTLSA-N 351.487 3.552 0 40 FHAB COc1ccc(C)cc1-n1ccc(C(=O)N(C)Cc2sccc2C)n1 65536364 NLXYOVQBIDAADT-UHFFFAOYSA-N 355.463 3.831 0 40 FHAB NC(=O)CSc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 14182369 WJZVYQDBMPLEBN-UHFFFAOYSA-N 354.353 3.535 0 40 FHAB Cc1ccc(NC(=O)Nc2cc(Cl)ccc2[C@@H]2COC(=O)C2=N)cc1 4649554 UKMMDHOUQIUQKG-AWEZNQCLSA-N 357.797 3.953 0 40 FHAB O=C(CNC(=O)c1cc2ccccc2o1)Nc1ccccc1Br 5512461 WBCJLGQVJPBOKR-UHFFFAOYSA-N 373.206 3.564 0 40 FHAB C[C@@H](OC(=O)Cc1c(F)cccc1Cl)C(=O)Nc1ccc(Cl)cn1 5508439 JKKHJPKWRVAYNF-SECBINFHSA-N 371.195 3.640 0 40 FHAB COc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c(OC)c1 6931829 NMAKRTUEXDOJDI-UHFFFAOYSA-N 374.868 3.628 0 40 FHAB COc1cccc([C@@H](C)NC(=O)COC(=O)c2ccc(F)c(Cl)c2)c1 67198013 CIBKXAXSTLCIDS-LLVKDONJSA-N 365.788 3.522 0 40 FHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)Nc1cccc(Cl)c1C 7042747 UHQQDSHTUNLMTA-HNNXBMFYSA-N 373.884 3.821 0 40 FHAB C[C@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1ccccc1F 7689218 ZJBFUEGIXNSZGJ-LLVKDONJSA-N 350.440 3.817 0 40 FHAB O=C(/C=C/c1ccc2ccccc2n1)OCCCn1c(=O)[nH]c2ccccc21 7982765 KLCLPCITRGKEOP-OUKQBFOZSA-N 373.412 3.525 0 40 FHAB CCCc1nc2c3ccccc3n(Cc3ccc(F)cc3Cl)c(=O)n2n1 69350522 JEMRQVYCFPLGJA-UHFFFAOYSA-N 370.815 3.838 0 40 FHAB Cc1ccc(C)c(-n2cnnc2SCC(=O)N(C)c2ccccc2)c1 9367902 USKLEDLBARZTBS-UHFFFAOYSA-N 352.463 3.639 0 40 FHAB CC(C)c1nnc(NC(=O)CCC(=O)Nc2ccc(Cl)cc2)s1 9327943 HWLQQVQIGMTPPU-UHFFFAOYSA-N 352.847 3.672 0 40 FHAB COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)N(C)c3ccccc3)n2)cc1 9455432 SFVSUAQFRBHDOB-CYBMUJFWSA-N 368.462 3.624 0 40 FHAB CCc1ccc(-c2n[nH]c(S[C@H](CC)C(=O)Nc3cc(C)on3)n2)cc1 9448079 SXNLDUVQDMPFNI-CQSZACIVSA-N 371.466 3.840 0 40 FHAB C[C@H](CNC(=O)Nc1ccc2c(c1)OCCO2)c1nc2ccccc2s1 84638423 KXJVPQBRZNFOPM-GFCCVEGCSA-N 369.446 3.993 0 40 FHAB CCc1noc(CNc2ccc(C(=O)Nc3ccccc3OC)cc2)n1 78639450 ZRLNZWIHISGNKT-UHFFFAOYSA-N 352.394 3.505 0 40 FHAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)c1 408583807 KLGGSPKYHMPEDK-UHFFFAOYSA-N 361.467 3.573 0 40 FHAB CNC(=O)c1ccc(CN(C)C(=O)c2cc3c(F)cccc3s2)cc1 31531158 GMDWNBOFZHACPH-UHFFFAOYSA-N 356.422 3.672 0 40 FHAB O=C(Nc1ccccc1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 30955101 XFNOHZGQNKJFSB-UHFFFAOYSA-N 362.433 3.587 0 40 FHAB C[C@@H](NC(=O)c1ccc2nccnc2n1)c1nc(-c2ccccc2)cs1 539936072 UOKOBZYYSXDQCG-GFCCVEGCSA-N 361.430 3.639 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 38771303 WDGIYTTVRFBTLB-GUYCJALGSA-N 361.413 3.878 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3cccc4nsnc34)no2)cc1 35672753 OBAJJKQPJGQIBL-UHFFFAOYSA-N 352.375 3.607 0 40 FHAB C[C@@H]1CCN(Cc2cccc(S(=O)(=O)N(C)C)c2)[C@H](c2ccco2)C1 76184459 HEQFLBVNPWBVIL-QAPCUYQASA-N 362.495 3.503 0 40 FHAB Cc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)Cc3ccncc3)C2)c1 72358831 AWODGOPFBCQFDS-HXUWFJFHSA-N 372.472 3.796 0 40 FHAB Cc1nc2sc([C@@H](c3cccc(F)c3)N3CCC[C@@H](C)C3)c(O)n2n1 36383558 MSZYVBDUAHETNH-IAQYHMDHSA-N 360.458 3.765 0 40 FHAB O=C(Nc1nc(-c2cccnc2)cs1)C1(c2ccccc2)CCOCC1 38488771 HFQZYQKSXJLJAG-UHFFFAOYSA-N 365.458 3.892 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cc3cccc(OC)c3o2)c1 73896416 PBUAOXSUBLLVOL-GFCCVEGCSA-N 355.390 3.950 0 40 FHAB Cc1ccc(CNC(=O)CCc2nc(-c3cccc(Cl)c3)no2)cc1 75359575 WFKBBIOUSAHASV-UHFFFAOYSA-N 355.825 3.947 0 40 FHAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)/C(=C/c1cccs1)NC(=O)c1ccccc1 224471087 KPNDTHLCHDTJHF-VVFIWSTASA-N 366.486 3.824 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 223195098 SLVNKVJXDDTJLV-IBGZPJMESA-N 372.896 3.744 0 40 FHAB COc1cc2c(cc1S(=O)(=O)NCCSC1CCCC1)CCCC2 223336903 WHHCSNUQQDTCEC-UHFFFAOYSA-N 369.552 3.528 0 40 FHAB COC(=O)c1cccc(NC(=S)NCCCc2ccccc2OC)c1C 225550456 VAQNKMUGCJQQTL-UHFFFAOYSA-N 372.490 3.709 0 40 FHAB CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC)c1ccc(OC)cc1 223635699 NZUGRBIRGXUPAH-HNNXBMFYSA-N 369.870 3.787 0 40 FHAB COc1ccccc1[C@@H](CNC(=O)[C@@H]1CCCC12CC2)N1CCCCC1 528069313 UNDWWUAHSDLSFZ-RBUKOAKNSA-N 356.510 3.919 0 40 FHAB COc1ccc(S(=O)(=O)NCCSC2CCCCC2)c(C)c1C 225131218 NFTSJVVYUMPVIX-UHFFFAOYSA-N 357.541 3.656 0 40 FHAB COc1ccc(S(=O)(=O)NCc2cccc3ccccc23)c(C)c1C 222896819 YYEUJKSMCXKRAM-UHFFFAOYSA-N 355.459 3.944 0 40 FHAB CC(C)CN(C(=O)c1cn(C(C)(C)C)nn1)[C@@H]1CCCc2cccnc21 330083114 HGUKJTGOFIRJCT-QGZVFWFLSA-N 355.486 3.604 0 40 FHAB C[C@](Br)(C(=O)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O 96518587 LDRQXGLYNPFXLM-MRXNPFEDSA-N 367.264 3.692 0 40 FHAB Cc1cccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)c1C 244374332 YASDWVFMTXOFEL-UHFFFAOYSA-N 374.506 3.832 0 40 FHAB CCCn1nccc1-c1cc(CC2CCN(C(=O)C(C)(C)C)CC2)ncn1 257280765 OMHDRXBTASOLSX-UHFFFAOYSA-N 369.513 3.577 0 40 FHAB CC(C)n1nccc1-c1nccnc1CC1CCN(C(=O)C(C)(C)C)CC1 257205753 BALRYHMCELZJMV-UHFFFAOYSA-N 369.513 3.748 0 40 FHAB Cc1ccc2[nH]c(=O)cc(C(=O)NC3(c4cc(F)ccc4F)CC3)c2c1 96151774 FUVWNUSTKORRIE-UHFFFAOYSA-N 354.356 3.534 0 40 FHAB O=C1N[C@H]2c3ccccc3O[C@@]3(CCSC[C@@H]23)N1Cc1cccs1 1776004863 ZYKYJYYDDDLOHT-QILLFSRXSA-N 358.488 3.856 0 40 FHAB Cn1ncc(C(=O)Nc2ccc(Cl)c3ncccc23)c1C(F)(F)F 614559309 AGQJKXMORDVRNU-UHFFFAOYSA-N 354.719 3.893 0 40 FHAB Cn1nccc1[C@@H]1OCCC[C@H]1CN[C@@H](c1ncc[nH]1)C1CCCCC1 658270459 TYOAHUXIFNHDJG-QXAKKESOSA-N 357.502 3.522 0 40 FHAB COc1cc2c(cc1OC)[C@H](NC(=O)c1onc3c1CCCC3)CCCC2 1303083546 KPRDEHMWPAPOQB-MRXNPFEDSA-N 370.449 3.768 0 40 FHAB C[C@@H](NC(=O)N[C@H]1CCc2ccccc21)c1nc(-c2ccc(F)cc2)no1 64645744 SPMXPIPZFALCIK-PXAZEXFGSA-N 366.396 3.923 0 40 FHAB C[C@H]1c2cc(Cl)cc(Cl)c2CCN1c1nn2c(=O)ccnc2s1 79096250 BKBDORVYWVUDFO-QMMMGPOBSA-N 367.261 3.582 0 40 FHAB OCc1ccc(OC(F)(F)[C@H](F)OC(F)(F)F)c(Br)c1 98210670 CPKHEFDHGDNVJZ-MRVPVSSYSA-N 369.055 3.745 0 40 FHAB CCN(C(=O)c1cncc2ccccc12)[C@H]1CCN(Cc2ccccc2)C1 546890402 PESKCMQSFMHROT-FQEVSTJZSA-N 359.473 3.971 0 40 FHAB COc1cc(CC(=O)OCc2cccc3cccnc23)cc(OC)c1OC 11150552 OUXKKKUOVGFVJX-UHFFFAOYSA-N 367.401 3.547 0 40 FHAB CCCn1c(=O)n(CCC(=O)NCc2cccc(Cl)c2)c2ccccc21 12745875 FGOHCNOFIXPGQP-UHFFFAOYSA-N 371.868 3.573 0 40 FHAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2ccccc2Br)C1 13671169 OCFAFQONPGNIGR-KBPBESRZSA-N 353.304 3.547 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)ccc2F)c1 18799223 KWIKXHMECFOFDX-LLVKDONJSA-N 363.772 3.866 0 40 FHAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 19286843 MECLITQTJGIIBS-LJQANCHMSA-N 358.445 3.867 0 40 FHAB CCC(=O)N1CC[C@@](Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)C1 19498414 PEAWCQICJLOHLN-NRFANRHFSA-N 370.518 3.675 0 40 FHAB Cc1ccc(Cl)c2sc(N3CC[C@@H](C(=O)NC(C)(C)C)C3)nc12 1889128208 VJGCLDFEFQNVTE-LLVKDONJSA-N 351.903 3.999 0 40 FHAB O=C(O)C[C@@H](NC(=O)Cc1ccccc1)c1ccc(OC2CCCC2)cc1 4689295 BJAYOCMMKINQOD-HXUWFJFHSA-N 367.445 3.883 0 40 FHAB COc1cnccc1C(=O)N1CCC2(CC1)C[C@H](OC)c1ccc(C)cc12 2055812482 UKFHMDAZNPHRCE-IBGZPJMESA-N 366.461 3.664 0 40 FHAB O=C(CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1cccs1 36708333 PKOWCLCGIAVSOK-UHFFFAOYSA-N 368.424 3.767 0 40 FHAB O=C(NCc1nccnc1-c1ccoc1)c1cccc(OC(F)(F)F)c1 575621392 WTHULHUJCPLSLY-UHFFFAOYSA-N 363.295 3.565 0 40 FHAB COC(=O)c1ccc(C(=O)NC[C@H](c2ccsc2)c2ccco2)cc1 618256850 MRNYKEFHJVRRIT-MRXNPFEDSA-N 355.415 3.690 0 40 FHAB O=C(NC[C@](O)(c1ccccc1)C1CCOCC1)Nc1ccccc1Cl 675008257 MEMBXGKOBFOUOG-FQEVSTJZSA-N 374.868 3.776 0 40 FHAB CC(C)N(CCNC(=O)c1cc(C2CC2)nn1-c1ccccc1)C(C)C 23179756 UBUGCEAJFMWPIA-UHFFFAOYSA-N 354.498 3.598 0 40 FHAB O=C(Nc1nnc(-c2ccco2)s1)c1ccccc1Br 841322 SEJRCWJXZGAZTE-UHFFFAOYSA-N 350.197 3.813 0 40 FHAB Cc1nc(C2(NC(=O)c3ccc(OCC(F)(F)F)cc3)CCCC2)no1 46194324 HUYWEYZWXVIDHO-UHFFFAOYSA-N 369.343 3.518 0 40 FHAB COCCn1c(SCC(=O)Nc2cccc(F)c2)nc2ccccc21 2624097 SEBWRGVBKXFLTD-UHFFFAOYSA-N 359.426 3.553 0 40 FHAB Cc1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)cc1 1725635 HRIQSMFQLWETLY-UHFFFAOYSA-N 372.467 3.661 0 40 FHAB CCOc1ccc(C2=Nn3c(nnc3-c3ccccc3OC)SC2)cc1 4310230 YARXQDMQMCNVMB-UHFFFAOYSA-N 366.446 3.711 0 40 FHAB in-vitro COc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n2N)cc1 4915934 GWYWODZIAWXXBK-UHFFFAOYSA-N 360.870 3.537 0 40 FHAB Cn1ncc(Cl)c1C(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 6444718 JRYUEVSLSDUBAD-UHFFFAOYSA-N 351.797 3.869 0 40 FHAB CCN(c1ccc(NC(=O)c2cccc(CS(C)(=O)=O)c2)cc1)C(C)C 7786427 BAMSMSMZLHHXFE-UHFFFAOYSA-N 374.506 3.718 0 40 FHAB O=C1c2ccccc2C(=O)N1CCN(Cc1ccccc1)Cc1ccco1 21582023 MJNFHYSVAWSZJU-UHFFFAOYSA-N 360.413 3.578 0 40 FHAB C[C@@H](NC(=O)COc1ccc(F)cc1)c1ccc(Br)cc1 8086500 QMJPKSJMOFWZIQ-LLVKDONJSA-N 352.203 3.844 0 40 FHAB CCOc1cc(CNC2CCCCC2)ccc1OCC(=O)NC(C)(C)C 8254402 ATCVWCZBPXLPGM-UHFFFAOYSA-N 362.514 3.801 0 40 FHAB CC[C@@H](CO)NCc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 8326341 RPCOOEGDCSMHBJ-INIZCTEOSA-N 367.848 3.927 0 40 FHAB O=C(Cc1ccccc1F)NCc1cccc(OCc2ccccn2)c1 32930577 SMIVPKOKGXJCPT-UHFFFAOYSA-N 350.393 3.659 0 40 FHAB Cc1cccc(N2C[C@@H](C(=O)N[C@H](C)CCc3ccccc3)CC2=O)c1C 28198433 PXKMYPDUHIBERF-XLIONFOSSA-N 364.489 3.794 0 40 FHAB O=S1(=O)c2cccc3cccc(c23)N1Cc1cc2c(cc1Cl)OCO2 678536 GOHZUKKQYBZWMM-UHFFFAOYSA-N 373.817 3.931 0 40 FHAB COc1ccc(-n2cnnc2SCC(=O)Nc2ccc(Cl)cc2)cc1 12591860 ZPNLMFXZOKUVPC-UHFFFAOYSA-N 374.853 3.660 0 40 FHAB CC(C)n1ncc2cc(C(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)cnc21 25145527 BRGQXCIHLZUDDR-UONOGXRCSA-N 354.376 3.863 0 40 FHAB CCCC(=O)Nc1cccc(NCC(=O)Nc2cccc(OC)c2)c1C 58178046 QWQNLAPOHLJDST-UHFFFAOYSA-N 355.438 3.793 0 40 FHAB Cc1n[nH]c(-c2ccc(NC(=O)Cc3ccccc3C(F)(F)F)cc2)n1 104346436 VIHDCPUHCIOLRF-UHFFFAOYSA-N 360.339 3.980 0 40 FHAB CC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2C(F)(F)F)cc1 3292213 KWRKHRLSBZEPEK-UHFFFAOYSA-N 365.307 3.704 0 40 FHAB Cc1noc(C(C)C)c1C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 25540758 QVZRBLKJRORIKY-IBGZPJMESA-N 369.509 3.919 0 40 FHAB C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 118915277 XZTUSOXSLKTKJQ-FSNKRUGHSA-N 374.521 3.604 0 40 FHAB in-vitro COc1cc(N[C@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(OC)cc1Cl 12635338 QXCREYCAKAGJPB-FRRDWIJNSA-N 354.878 3.662 0 40 FHAB Cc1c(C(=O)NCCCc2ccccc2)nnn1-c1ccc(Cl)cc1 51318149 WXCJKIXSVBUVQB-UHFFFAOYSA-N 354.841 3.592 0 40 FHAB CCOC(=O)[C@@H](C)SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 25067372 GOMVXAVNDRDLNB-LLVKDONJSA-N 374.487 3.836 0 40 FHAB Cc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)on1 78372529 WZRQFCYQBRKGKZ-ZDUSSCGKSA-N 361.250 3.816 0 40 FHAB C[C@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccccc1F 25688815 XHKSJLZYNKTFRH-ZDUSSCGKSA-N 360.454 3.617 0 40 FHAB O=C(Nc1ccc(N2CCCC2)nc1)N1CC=C(c2ccc(O)cc2)CC1 48086321 YNBIAQNHDJMALA-UHFFFAOYSA-N 364.449 3.709 0 40 FHAB CC(C)c1ccccc1NC(=O)COC(=O)c1cc2ccccc2oc1=O 3319262 VDOAMABDPCLVSP-UHFFFAOYSA-N 365.385 3.712 0 40 FHAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)Cn1cnc2ccccc21 3359159 NKFJEFXOAFBEQY-OAHLLOKOSA-N 365.433 3.732 0 40 FHAB Cc1cc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)no1 3383020 IXBMVNVMCOVTHW-UHFFFAOYSA-N 351.362 3.522 0 40 FHAB COC(=O)Nc1cccc(NC(=O)NC[C@@H](C)N(C)c2ccccc2)c1 58086324 BBYKLVSFIVBGLR-CQSZACIVSA-N 356.426 3.511 0 40 FHAB Cc1nn(C)c(C)c1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 48276102 DTJJZIUBYFIAGS-UHFFFAOYSA-N 358.829 3.917 0 40 FHAB CCCn1c(-c2ccncc2)nc2cc(S(=O)(=O)N(CC)CC)ccc21 36395683 PFNWVWQYMWCVBU-UHFFFAOYSA-N 372.494 3.539 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCSc3ccc(F)cc32)c1 12853382 PBXZHWFTCVPYPT-OAHLLOKOSA-N 351.468 3.958 0 40 FHAB Cc1cc(C)n2nc(SCC(=O)c3c(C)[nH]c4ccccc34)nc2n1 3446874 ZMDYFNBZFQQSBQ-UHFFFAOYSA-N 351.435 3.506 0 40 FHAB CCOC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 3409616 OVQNRDGFYMWCPR-UHFFFAOYSA-N 357.410 3.729 0 40 FHAB Cc1ccc(-c2nnc(S)n2CC(=O)N(C)[C@@H](C)c2ccccc2)cc1 12919834 KDPKEBPBMBWGFB-HNNXBMFYSA-N 366.490 3.762 0 40 FHAB Cc1cc(NC(=O)CN(C)Cc2cccc(F)c2)n(-c2ccccc2C)n1 12973242 BQVLGCKVXXEJNI-UHFFFAOYSA-N 366.440 3.699 0 40 FHAB Cc1ccc(NC(=O)Cn2cc(-c3ccc(F)cc3)[n+]3c2CCC3)cc1C 13777396 ACVWGRLNNREXKP-UHFFFAOYSA-O 364.444 3.783 0 40 FHAB O=C1CSc2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2N1 6372617 QQBYOOVLKLGTOF-UHFFFAOYSA-N 368.336 3.882 0 40 FHAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc2c(s1)CCCCC2 14017577 CWRRMVNFEQARJQ-HNNXBMFYSA-N 357.475 3.929 0 40 FHAB Cc1noc(C)c1[C@@H](C)C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 65523733 FCUFSPFNXZVISZ-GFCCVEGCSA-N 364.405 3.681 0 40 FHAB CCN(CC)C(=O)c1cccc(NC(=O)c2cnn(-c3ccccc3)c2)c1 14139587 JYUZRSXHTJNHFP-UHFFFAOYSA-N 362.433 3.607 0 40 FHAB C[C@H](Sc1ncn[nH]1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 5736624 XATRNPUTGGDANC-LURJTMIESA-N 350.753 3.596 0 40 FHAB COc1cccc(/C=C2\C(=O)Nc3ccc(Br)cc32)c1OC 15016162 XYHKVELHISMVNR-JYRVWZFOSA-N 360.207 3.959 0 40 FHAB O=C(CC12CC3CC(CC(C3)C1)C2)Nn1c(=S)[nH]c2ccccc2c1=O 6931778 GOIHANDFZAMYJR-UHFFFAOYSA-N 369.490 3.736 0 40 FHAB COc1cccc([C@@H](C)NC(=O)COC(=O)c2ccc(F)cc2Cl)c1 67198197 RSYCUJKWVUTDAJ-LLVKDONJSA-N 365.788 3.522 0 40 FHAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@H]1c1nc2ccccc2s1 7217388 NRBGSSNUHJGWJI-HNNXBMFYSA-N 362.451 3.961 0 40 FHAB Cc1nc2ccccc2n1CC(=O)N1CCc2cc(Br)ccc21 7461421 RLUIYXGKRKYUSH-UHFFFAOYSA-N 370.250 3.697 0 40 FHAB CCCOc1ccc(CNC(=O)c2cn(-c3cc(C)cc(C)c3)nn2)cc1 71765002 VSUFHIODIUMPRX-UHFFFAOYSA-N 364.449 3.603 0 40 FHAB COC(=O)c1cc(COC(=O)c2oc3ccc(OC)cc3c2C)oc1C 16049318 ALLUEYXHLVOZTD-UHFFFAOYSA-N 358.346 3.795 0 40 FHAB C[C@@H]1Oc2ccccc2N(CCC(=O)OCc2ccc(Cl)cc2)C1=O 16191429 RZIHCOCYFYNTAI-ZDUSSCGKSA-N 359.809 3.587 0 40 FHAB C[C@@H](Sc1nc(Nc2ccccc2Cl)c2ccccc2n1)C(N)=O 16452665 SVMJIFBMQICUAT-SNVBAGLBSA-N 358.854 3.993 0 40 FHAB COc1ccc(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)cn1 8281493 NJVCSUVFBLUIFF-UHFFFAOYSA-N 374.400 3.569 0 40 FHAB COc1ccc(CNC(=O)Cc2csc(-c3cccs3)n2)cc1OC 9691751 ZCZFHGDQMFISFV-UHFFFAOYSA-N 374.487 3.748 0 40 FHAB COc1ccc(CC[C@H]2CCCCN2C(=O)c2cc(C)no2)cc1OC 84124160 JFNCHORMFWKPRD-MRXNPFEDSA-N 358.438 3.628 0 40 FHAB Cc1ccsc1CNC[C@@H](c1ccccc1Cl)N1CCOCC1 97221811 KLIUNQGGQPQXOI-KRWDZBQOSA-N 350.915 3.873 0 40 FHAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1cccc(C(=O)O)c1 95349556 TVDKRMAFIQVFCF-UHFFFAOYSA-N 369.808 3.844 0 40 FHAB CC(=O)Nc1ccc([C@H]2CC(c3ccco3)=NN2C(=O)c2ccco2)cc1 95946120 NSSLVXJKEXODGF-QGZVFWFLSA-N 363.373 3.823 0 40 FHAB CC(C)(C)C[C@H](NC(=O)CCc1nc(-c2ccco2)no1)C(F)(F)F 95993880 GXJBQCMZDSFHED-NSHDSACASA-N 359.348 3.746 0 40 FHAB CC(C)c1nccn1-c1cccc([C@H]2CCCN(C(=O)C3CCC3)C2)n1 72378943 OJOHDGUVSBQGID-KRWDZBQOSA-N 352.482 3.897 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)C(C)C)c2)cc1 30013030 UUSSDDLEAPNNIX-HNNXBMFYSA-N 360.479 3.570 0 40 FHAB O=C1CCCc2cc(C(=O)CSc3ncc4ccccn34)ccc2N1 32327210 LIZRYSZBNSJXIO-UHFFFAOYSA-N 351.431 3.584 0 40 FHAB Cn1ccnc1CN1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 72350013 CLLRXJKGLBXKRA-UHFFFAOYSA-N 364.468 3.925 0 40 FHAB O[C@H](COc1ccccc1-n1ccnc1)CO[C@H]1CCCc2ccccc21 550175323 XNZKNZKQDAGDIZ-RXVVDRJESA-N 364.445 3.706 0 40 FHAB C[C@@H]1CCC[C@@H](C)N1C[C@@H](O)COCCOC12CC3CC(CC(C3)C1)C2 72238838 OOGFLUIOEMMFGW-OWFIIGRXSA-N 365.558 3.612 0 40 FHAB COc1ccc(/C=C/C(=O)NCc2ccc(OC(C)C)cc2)cc1OC 36561520 CGHYBPLXSSRYIT-XYOKQWHBSA-N 355.434 3.821 0 40 FHAB CCn1c(=O)c2ccccc2n2c(COc3ccc(Cl)cc3C)nnc12 31556765 SPUKDWJFXQPRLK-UHFFFAOYSA-N 368.824 3.605 0 40 FHAB Cc1cccc(CSc2nc3sc4c(c3c(=O)n2N)CCCC4)c1 36646172 FIKDIKSEYHFSPQ-UHFFFAOYSA-N 357.504 3.651 0 40 FHAB Cc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3cc(C)ccc3C)n2)c1 219075016 RIUIJNDJJTYUAG-MRXNPFEDSA-N 365.433 3.746 0 40 FHAB COc1ccc(NC(=S)NCc2nc(-c3cccc(C)c3)no2)cc1 78441962 UBYLQGJNUFJEQG-UHFFFAOYSA-N 354.435 3.540 0 40 FHAB COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1F 32585804 WARVTMVAFYEVLE-UHFFFAOYSA-N 350.198 3.942 0 40 FHAB COC(=O)c1cc(Nc2ccc(OC)cc2OC)c2cccc(F)c2n1 38486948 NDHBBIIBOOTZLM-UHFFFAOYSA-N 356.353 3.921 0 40 FHAB CC(C)(C)OC(=O)N1CCC(N)(c2cccc(Br)c2)CC1 79033377 QPLCXRHUMKRDAE-UHFFFAOYSA-N 355.276 3.634 0 40 FHAB COc1cccc(CN2CCC[C@H](c3nnc(-c4ccncc4)o3)C2)c1 72389955 OHTQHNFWZFRLIA-KRWDZBQOSA-N 350.422 3.520 0 40 FHAB O=C(NC[C@H]1CCC[C@@H](CO)C1)Nc1ccc(OCc2ccncc2)cc1 562167766 RYVBWOFNEQKQCG-ZWKOTPCHSA-N 369.465 3.581 0 40 FHAB CCN(CC)CCOc1ccccc1CNC(=O)c1cc(F)ccc1F 40107639 LFKDPSWPIHKPNG-UHFFFAOYSA-N 362.420 3.615 0 40 FHAB CC(C)(C)c1ccc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1 42646583 IYQLPMKYSUGBKV-UHFFFAOYSA-N 363.461 3.763 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(C)cc2C)cc1 223099322 YSSFEMKNSWOTOA-UHFFFAOYSA-N 374.506 3.515 0 40 FHAB COC(=O)[C@H]1CC(=O)N(c2ccc(-c3nc4ccccc4s3)cc2C)C1 45886980 QTQQAIDXVWJLCO-AWEZNQCLSA-N 366.442 3.798 0 40 FHAB COc1ccc(NC(=O)C(C)(C)c2ccc(Cl)cc2)cc1C(=O)N(C)C 225959913 FIKUNQYXMWTXJB-UHFFFAOYSA-N 374.868 3.967 0 40 FHAB CC(=O)Nc1ccc(CN2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1 49169375 DBNPXYPXMLZLQB-SFHVURJKSA-N 362.433 3.685 0 40 FHAB biogenic,in-vitro CCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(COC)c2)cc1 224687127 JAGGQNSQSRRRAG-UHFFFAOYSA-N 357.406 3.661 0 40 FHAB Cc1ccc(S(=O)(=O)NCC[C@H](O)c2cccc3ccccc23)cc1C 77117678 NSJGYTNKVCYQAJ-NRFANRHFSA-N 369.486 3.859 0 40 FHAB O=C(NC[C@@](O)(c1ccco1)c1cccs1)c1nc2ccccc2s1 225586161 AXMRDIABSNHZQF-GOSISDBHSA-N 370.455 3.617 0 40 FHAB CCN(c1ccccc1Cl)S(=O)(=O)c1ccc(NC(C)=O)cc1 224889455 BLMUIAAZGUZSAN-UHFFFAOYSA-N 352.843 3.514 0 40 FHAB CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(F)c1 222751048 JKAOUVSEGKAWDZ-MSOLQXFVSA-N 352.438 3.614 0 40 FHAB COc1ccc(NC(=S)N[C@@H](C)COc2ccc(C)cc2)cc1OC 225640290 XOYDBZITWMWODC-AWEZNQCLSA-N 360.479 3.766 0 40 FHAB CC(C)(C)OC(=O)N1CCC(COc2ncccc2Br)CC1 575444426 DAAOSLSGYYPVLF-UHFFFAOYSA-N 371.275 3.870 0 40 FHAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1Cl 223185485 JVDQYPBDNIBZCH-GFCCVEGCSA-N 365.882 3.877 0 40 FHAB Cc1cc(CNC(=O)N[C@@H]2c3ccccc3CC23CCOCC3)cc(C)n1 576023036 VUYWZTUPRNWJFU-HXUWFJFHSA-N 365.477 3.592 0 40 FHAB C[C@@H](C(=O)N1CCCC[C@H]1c1nnc(-c2ccccc2F)o1)n1cccc1 583622145 SAVWDUBIAMPCKI-YOEHRIQHSA-N 368.412 3.992 0 40 FHAB Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CCN3Cc2ccc(C)s2)n1 96056636 HEUVXGGETZFSNN-RTBURBONSA-N 355.507 3.525 0 40 FHAB C[C@H](OC(=O)Cc1c(F)cccc1Cl)C(=O)N[C@@H]1CCCC[C@H]1C 245228103 DIYCRPYZHMSAGV-BFQNTYOBSA-N 355.837 3.648 0 40 FHAB Oc1cccc2c1OC1(CCN(Cc3ccncc3)CC1)[C@H]1CCCO[C@H]21 257245196 IOMDDLUATNTLRT-AZUAARDMSA-N 366.461 3.682 0 40 FHAB C[C@@H]1CN(C(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)C[C@@H](C)C1=O 666773210 FYFYBZIKFJNUMZ-RULNRJAQSA-N 362.779 3.810 0 40 FHAB O=S1(=O)CCN(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1 682413514 IQNNCDYBDTVSAO-UHFFFAOYSA-N 369.408 3.603 0 40 FHAB C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)Cc1ccon1 585113718 SRTWPNHKXZURFY-KRWDZBQOSA-N 368.355 3.740 0 40 FHAB O=C(NCCOc1ccccc1)c1cc(Br)ccc1Cl 17849995 ALXXSYXTQXCWJW-UHFFFAOYSA-N 354.631 3.911 0 40 FHAB CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)n1cnc2ccccc21 5235066 CDMPQKQEJBABJV-UHFFFAOYSA-N 358.463 3.970 0 40 FHAB CCS(=O)(=O)c1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 5241832 UEDPDBDSUSSARU-UHFFFAOYSA-N 365.454 3.984 0 40 FHAB CC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccc(C)c3)o2)c1 5434608 OZQMHZFVIKDNDB-UHFFFAOYSA-N 367.430 3.978 0 40 FHAB O=C(O)Cn1c(SCCOc2ccccc2Cl)nc2ccccc21 12062278 NQYWPEUUUFWWJX-UHFFFAOYSA-N 362.838 3.945 0 40 FHAB O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccco2)oc1NC1CC1 12419528 FUBIGJQCOQCUOT-UHFFFAOYSA-N 364.810 3.995 0 40 FHAB CC(C)C[C@H](NC(=O)c1cc(=O)[nH]c2ccccc12)c1nc2ccccc2[nH]1 16967145 NUTNADWVVJMINB-IBGZPJMESA-N 374.444 3.922 0 40 FHAB Cc1cccc(CCNC(=O)c2cccc([C@H]3CCc4nnc(C)n4C3)c2)c1 19698194 YJJSTWCTNLMDJI-NRFANRHFSA-N 374.488 3.597 0 40 FHAB CC(C)(C)c1csc(CCNC(=O)CCc2nc3ccccc3[nH]2)n1 19717773 OVWLHFKRQSUUIR-UHFFFAOYSA-N 356.495 3.608 0 40 FHAB COc1ccccc1O[C@@H](C)c1nc2c3ccccc3nc(S)n2n1 1888959385 GOACANVLEFNGKN-NSHDSACASA-N 352.419 3.715 0 40 FHAB Cc1csc(CNC(=O)C2(c3ccc(Br)cc3)CC2)n1 29885816 HBDXZNVCGVOXMZ-UHFFFAOYSA-N 351.269 3.562 0 40 FHAB O=C(NCCc1ccccc1)c1nc(-c2ccc(C(F)(F)F)cc2)no1 1432689 QTYTWAIXPLSHJH-UHFFFAOYSA-N 361.323 3.728 0 40 FHAB O=C(C1CCCCC1)N(c1ccc(Cl)cc1)[C@@H]1C=CS(=O)(=O)C1 4165223 PZMXNJCHCBNLFU-MRXNPFEDSA-N 353.871 3.564 0 40 FHAB Fc1ccc(Cn2nnc3c(SCc4cccc(F)c4)ncnc32)cc1 4166463 MJLKDLVLKBSICD-UHFFFAOYSA-N 369.400 3.840 0 40 FHAB COc1cccc([C@H](c2sc3ncnn3c2O)N2C[C@@H](C)C[C@H](C)C2)c1 102825288 UMFZSOKLQBKPFH-HEHGZKQESA-N 372.494 3.572 0 40 FHAB CCOc1ccccc1NC(=O)CSc1ccc(-c2nc(C)no2)cn1 49405503 SSPUTJWVGMRNTA-UHFFFAOYSA-N 370.434 3.570 0 40 FHAB O=C(c1ccc(Br)cc1)N1CCC[C@H](Oc2ccncc2)C1 575606289 NOZFERYAEXEXFN-INIZCTEOSA-N 361.239 3.528 0 40 FHAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(C)c3ccccc23)c1 12291019 VQZGHWPXACQPSQ-UHFFFAOYSA-N 357.431 3.966 0 40 FHAB CCOC(=O)[C@@]1(Cc2ccc(Cl)cc2Cl)C(=O)Nc2ccccc21 20031755 DWBPCKNPUQQHND-GOSISDBHSA-N 364.228 3.989 0 40 FHAB CSc1ccc(C)c(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)c1 40122158 NBBUPCHMUDGTIE-IBGZPJMESA-N 368.502 3.810 0 40 FHAB O=C(CCOc1ccccc1)NCc1ccc(OCc2cccnc2)cc1 40106772 YWNYVXIOERPGEZ-UHFFFAOYSA-N 362.429 3.746 0 40 FHAB O=C(CCOc1ccccc1Cl)NCc1cnn(-c2ccccc2)c1 31537261 MRCJYZSZGXOHSK-UHFFFAOYSA-N 355.825 3.611 0 40 FHAB CC1CCN(C(=S)SCC(=O)Nc2nc3c(s2)CCCC3)CC1 17341449 JWDUDGWWUQHBNF-UHFFFAOYSA-N 369.581 3.710 0 40 FHAB COc1cccc(C(=O)N(CC(C)C)c2nnc(-c3cccnc3)s2)c1 1356871 KVZAJEYMIHYKMC-UHFFFAOYSA-N 368.462 3.912 0 40 FHAB Cc1ccnc(N2CCC[C@H](C(=O)Nc3ccc(C(C)(C)C)cc3)C2)n1 1358244 HKZHDCCLSXUJEM-INIZCTEOSA-N 352.482 3.938 0 40 FHAB COc1ccc2oc(C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)c(C)c2c1 60390836 SHOBNRLELMICBU-SFHVURJKSA-N 370.424 3.922 0 40 FHAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccn(Cc2cccc3ccccc23)n1 101592579 DBJJINOPVJGJFX-KDURUIRLSA-N 359.429 3.764 0 40 FHAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)n2C)c1 6140422 AESVDDIKBFHDJQ-UHFFFAOYSA-N 352.463 3.830 0 40 FHAB CCCc1cc(=O)oc2cc(C)cc(OCC(=O)Nc3nccs3)c12 6661397 AXUJMWMROKYQAQ-UHFFFAOYSA-N 358.419 3.528 0 40 FHAB Cc1ccccc1-n1cnnc1SCCC(=O)Nc1ccccc1F 32870968 WMYNVEROSGRVRC-UHFFFAOYSA-N 356.426 3.836 0 40 FHAB COc1ccccc1CC(=O)NCc1ccc(CN2CCC[C@@H](C)C2)cc1 32930084 ZLBNOILUZUZZHV-GOSISDBHSA-N 366.505 3.786 0 40 FHAB CCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(Cc1ccncc1)C3 57111320 ZXOVVMIVUPXMHR-UHFFFAOYSA-N 356.809 3.756 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N2CCCC2)cc1 33000002 LCCAOISUBAYBBN-QGZVFWFLSA-N 359.470 3.625 0 40 FHAB COc1cc(Br)c(NC(=O)c2ccc(F)cc2)cc1OC 634149 ITAUAFMXAFIUHL-UHFFFAOYSA-N 354.175 3.858 0 40 FHAB COc1ccc(C(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)cc1F 7713540 UMGMGTKJVOAPTK-UHFFFAOYSA-N 357.410 3.903 0 40 FHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)c2c(C)cc3ccccn23)c1 3168737 GSMJBXFXKOMQPV-UHFFFAOYSA-N 370.474 3.509 0 40 FHAB CCc1ccccc1NC1=C(Cl)C(=O)N(CCc2ccccc2)C1=O 955264 ACVHKZBHZSXNOA-UHFFFAOYSA-N 354.837 3.723 0 40 FHAB CC[C@H](NS(=O)(=O)c1ccsc1C(=O)OC)c1ccc(Cl)cc1 23436385 RYLSPMZDUMYVQV-LBPRGKRZSA-N 373.883 3.618 0 40 FHAB O=C(O)c1ccc(F)c(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)c1 24433270 MVXMTGSFPVOYKT-BQYQJAHWSA-N 355.774 3.590 0 40 FHAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-c2ccccc2Cl)s1 24749417 YQFKEKSGGSFVSQ-HNNXBMFYSA-N 362.838 3.869 0 40 FHAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccc(O)c(OC)c2)cc1 3276600 RXJBVUDEZMPHEV-CEFACKQISA-N 369.417 3.547 0 40 FHAB O=C(/C=C/c1ccc(Cl)s1)N1CCC[C@H]1c1nnc2ccccn12 25065254 CPDDNWVFORPPBL-XOVSCCBYSA-N 358.854 3.821 0 40 FHAB CCOc1ccc(C(=O)OCC(=O)Nc2c(C)cccc2C)cc1OCC 3238943 RMGHQZFDPYIDPA-UHFFFAOYSA-N 371.433 3.896 0 40 FHAB COc1cccc(NC(=O)COC(=O)C2(c3ccccc3F)CCCC2)c1 3225159 KZSXVIZBQLRGGJ-UHFFFAOYSA-N 371.408 3.828 0 40 FHAB O=C(NCc1ccccc1N1CCCC1)N1CCC[C@@H]1c1ccccn1 56954357 BXTPTFLTWXJULN-HXUWFJFHSA-N 350.466 3.729 0 40 FHAB COc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c(OC)c1 57412494 ZZEWTCZAHXCUHG-UHFFFAOYSA-N 357.797 4.000 0 40 FHAB CC(C)C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 21596311 DITZTZHAKDZMQP-UHFFFAOYSA-N 355.419 3.669 0 40 FHAB CCOC(=O)c1sc(NCC(=O)N2c3ccccc3C[C@H]2C)cc1C 3317901 NATRHGJBSCIGRT-CYBMUJFWSA-N 358.463 3.623 0 40 FHAB COc1cccc(NC(=O)COC(=O)c2c(Cl)cccc2Cl)c1 3361994 VZQGEPIRXCXVLG-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB CCc1cccc2c(C(=O)CSc3nnc(C(F)(F)F)n3C)c[nH]c12 3385072 RSOBVVQYEQENHA-UHFFFAOYSA-N 368.384 3.853 0 40 FHAB C[C@H](Sc1nncn1C)C(=O)Nc1ccc(Oc2ccccc2)cc1 3320959 KXRIDOWCISUXAH-ZDUSSCGKSA-N 354.435 3.727 0 40 FHAB Cc1ccc2nc(/C=C/c3cnc(N4CCCC4)nc3)cc(C(=O)O)c2c1 58289685 OYDYINKLGIFOJU-AATRIKPKSA-N 360.417 3.802 0 40 FHAB CC[C@@H](OC(=O)c1csc2c1CC[C@@H](C)C2)C(=O)Nc1cc(C)on1 12794605 HBPWAVDBZAKTRK-QMTHXVAHSA-N 362.451 3.743 0 40 FHAB Cn1cccc1[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1Cl 12762071 JPNQTNLEGGSYCW-CYBMUJFWSA-N 359.278 3.858 0 40 FHAB CCOC(=O)C1(C(=O)OCC)[C@H](C(C)C)[C@@]1(CC)C(=O)c1ccccc1 2296780 UPNSWUDTUTYFNY-UZLBHIALSA-N 360.450 3.664 0 40 FHAB CC(=O)c1cccc(NC(=O)N(C[C@H](O)c2ccc(F)cc2)C2CC2)c1 76017607 GDOUOAGJAPNWJL-IBGZPJMESA-N 356.397 3.758 0 40 FHAB O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1cccc(-n2cccc2)c1 48277623 VFSLOAWCIGMGSZ-OAQYLSRUSA-N 373.456 3.571 0 40 FHAB CC[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccc(Cl)cc1 28505728 RIDZSEYRNJFEES-WMLDXEAASA-N 360.841 3.549 0 40 FHAB O=C(NCc1ccc(Cn2cncn2)cc1)c1occc1-c1ccccc1 48301074 ANKQVOVZPKIBQP-UHFFFAOYSA-N 358.401 3.516 0 40 FHAB COc1ccc(Cl)cc1NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 11125491 MQFSJBBFHKGQSK-LBPRGKRZSA-N 373.840 3.524 0 40 FHAB C[C@@H]1CCCN(CC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)C1 16334625 UVCFBZNFCJHWOD-YLJYHZDGSA-N 350.462 3.885 0 40 FHAB O=C1CN(C(=O)C2CC2)[C@H](c2ccc(F)cc2)c2cc(Cl)ccc2N1 2456381 QGEAKKNEIAQTNN-GOSISDBHSA-N 358.800 3.759 0 40 FHAB COC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2-c1ccccn1 7991053 YCJLYMSUJICIJR-UHFFFAOYSA-N 374.400 3.586 0 40 FHAB O=C(OCC(=O)N1CCc2ccccc21)c1ccc(Cl)cc1Cl 3620183 AYMCKBIKZYUYKJ-UHFFFAOYSA-N 350.201 3.740 0 40 FHAB Cc1sc2nc(SCc3cn4cccc(C)c4n3)n(C)c(=O)c2c1C 8216828 HVPBBIILWLRLGE-UHFFFAOYSA-N 370.503 3.860 0 40 FHAB COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1 5111666 ZJGUXCJLFGGTNV-UHFFFAOYSA-N 367.323 3.818 0 40 FHAB CCOc1cc(/C=C2/C(=O)N(CC)C(=S)N2C)ccc1OCC(C)C 4363953 LKFHGXFGLQSRCS-GDNBJRDFSA-N 362.495 3.540 0 40 FHAB COc1ccc2[nH]c(C(=O)NCc3cccc(Br)c3)cc2c1 13858079 GUFGYENEPVRMFO-UHFFFAOYSA-N 359.223 3.869 0 40 FHAB C/C=C/c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 6312712 DOVVPLARHNAROO-VOTSOKGWSA-N 358.390 3.973 0 40 FHAB CC(=O)Nc1ccc(C(=O)[C@H](C)N(C)CCOc2cccc(Cl)c2)cc1 14078842 FGKHJVCLVYLLLE-AWEZNQCLSA-N 374.868 3.880 0 40 FHAB CC(=O)[C@@]1(O)[C@H](Cl)C[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 5383456 FCNFDODVDQKBAV-QHOXJNEGSA-N 368.945 3.927 0 40 FHAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccccc3)o2)C1=O 4590979 VJSUHQOFNJLUCN-JASJWYONSA-N 371.414 3.935 0 40 FHAB C[C@@H](Sc1nnnn1-c1cccc(F)c1)C(=O)c1c[nH]c2ccccc12 6589863 IIYZDPCDCITWGX-LLVKDONJSA-N 367.409 3.646 0 40 FHAB O=C(COC(=O)[C@H]1[C@@H](C(=O)c2ccccc2)[C@H]2CC[C@@H]1C2)c1ccccc1 5772645 VOFKTGMQQAVWGP-IZZBFERCSA-N 362.425 3.958 0 40 FHAB CC(C)C(=O)N1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1 15129302 ZHPRGSXDCBNHQZ-UHFFFAOYSA-N 366.490 3.663 0 40 FHAB O=C(NCc1ccc(Cl)cc1Cl)C(=O)Nc1cnc2ccccc2c1 70674645 XXTZFUVQDWDIMA-UHFFFAOYSA-N 374.227 3.797 0 40 FHAB Cc1ccc(C(=O)CN2C(=O)S/C(=C\c3cc(C)n(C)c3C)C2=O)cc1 409131364 VPFIBPLDSXSDBC-ZDLGFXPLSA-N 368.458 3.870 0 40 FHAB O=C(CC1(C(=O)Nc2ccc(C(F)(F)F)cc2)CCCC1)NC1CC1 8708373 AQNGZCSXLAEETB-UHFFFAOYSA-N 354.372 3.873 0 40 FHAB CC(C)[C@H](NC(=O)c1ccc(OCc2nccn2C)cc1)c1ccncc1 70995456 QHUHVQUQBRPBEP-FQEVSTJZSA-N 364.449 3.521 0 40 FHAB O=C(COc1ccccc1F)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9053446 SFNQTRDUBMVFDR-QGZVFWFLSA-N 371.408 3.730 0 40 FHAB O=S(=O)(Nc1ccc2[nH]c(-c3cccnc3)nc2c1)c1ccc(F)cc1 71279830 PTBMQMRQYUTTIG-UHFFFAOYSA-N 368.393 3.565 0 40 FHAB C[C@@H](NCC1(c2ccccc2)CC1)[C@H](c1ccccc1)N1CCOCC1 79015272 LBNOIYPUMFXBDE-DENIHFKCSA-N 350.506 3.770 0 40 FHAB COC(=O)[C@]12CCC[C@H]1CN(C(=O)c1sccc1-c1ccccc1)C2 96007867 XMXZTRGLBGASOQ-YWZLYKJASA-N 355.459 3.830 0 40 FHAB O=C([C@H](Nc1cccc(N2CCCC2=O)c1)c1ccccc1)N1CCCC1 9428856 IWIIATSRWQFZBN-OAQYLSRUSA-N 363.461 3.589 0 40 FHAB Cc1cc(C)c(S(=O)(=O)N(Cc2cccnc2)Cc2ccco2)c(C)c1 24838924 NPVAAJSVKSOPQG-UHFFFAOYSA-N 370.474 3.991 0 40 FHAB CC(C)(C)c1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1 19902150 VNHFSRMVTWKRLN-UHFFFAOYSA-N 358.526 3.749 0 40 FHAB CC(C)c1ccccc1O[C@@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 20481285 HSHTXXKADRQABO-IBGZPJMESA-N 366.505 3.922 0 40 FHAB Cc1nc(C(C)(C)NS(=O)(=O)c2cccc3cccnc23)sc1C 95960516 NXKXLJXPVLTDTL-UHFFFAOYSA-N 361.492 3.522 0 40 FHAB O=C(O)CC[C@@H]1CCCN(C(=O)CCc2ccc(OC(F)(F)F)cc2)C1 95992036 QVPWMPZWQKNXHU-AWEZNQCLSA-N 373.371 3.621 0 40 FHAB CCNC(=O)C1CN(c2ncnc3scc(-c4ccc(C)c(C)c4)c23)C1 75094568 YCTMEORZVNPEDX-UHFFFAOYSA-N 366.490 3.547 0 40 FHAB CC(C)(C)OC(=O)N1CCCC[C@@H](NC(=O)Nc2ccccc2F)C1 89662193 COOACYJIKBVTDB-CYBMUJFWSA-N 351.422 3.737 0 40 FHAB Cc1cc(S(=O)(=O)NCCC(C)C)ccc1NC(=O)c1ccccc1 408606016 KYFSJTNHDOCWLM-UHFFFAOYSA-N 360.479 3.572 0 40 FHAB COc1ccccc1CNC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1 30848904 AGPIKLSEARUXFP-CYBMUJFWSA-N 361.463 3.509 0 40 FHAB C[C@@H]1CCC[C@@H]2C1=NN(C(=O)CCc1ccccc1)[C@@]2(O)C(F)(F)F 409183831 VIRFGNFKMHKNRO-MRRJBJDNSA-N 354.372 3.505 0 40 FHAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccc(Br)o1 408801516 UKIPYNTVKYNKNR-UHFFFAOYSA-N 368.207 3.944 0 40 FHAB O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)NCCc1ccccn1 524734483 JRZHUGGHCAHTBD-LJQANCHMSA-N 353.853 3.875 0 40 FHAB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc2oc(=O)ccc2c1 408627942 ONSPMSRNKLKNKD-UHFFFAOYSA-N 372.833 3.502 0 40 FHAB Cn1c(Cc2ccc(Cl)cc2)nnc1[S@@](=O)Cc1ccc(F)cc1 35683103 JBIDXQPAISLMLZ-XMMPIXPASA-N 363.845 3.506 0 40 FHAB C[C@H](SCc1ccccc1)C(=O)NCc1ccccc1-n1ccnc1 30753060 BLATUSJWWGGSDG-INIZCTEOSA-N 351.475 3.810 0 40 FHAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCCCO2 32521476 FZWOIIJJRJDITO-UHFFFAOYSA-N 365.351 3.839 0 40 FHAB O=C(Cc1cccnc1)N1CCC[C@@H]1c1n[nH]cc1-c1ccc(F)cc1 72380319 AEZHDYOUMNFJRQ-GOSISDBHSA-N 350.397 3.517 0 40 FHAB CC[C@H](Oc1cccc(C)c1C)C(=O)N1CCN(c2ccccc2F)CC1 38756745 YGMKLWVIPHACPB-FQEVSTJZSA-N 370.468 3.949 0 40 FHAB COCCN(C(=O)c1ccc(F)cc1)c1nnc(-c2ccc(C)cc2)s1 35310731 ZMDHBVRRLOSSHK-UHFFFAOYSA-N 371.437 3.946 0 40 FHAB CC(C)[C@H]1N(C(=O)NCc2ccnc(OC(F)F)c2)CC12CCCC2 563064788 XBICGBBCSHBZFF-OAHLLOKOSA-N 353.413 3.793 0 40 FHAB FC(F)(F)c1nnc2sc(-c3cc(-n4cccn4)ccc3Cl)nn12 49549129 QHNQNBAFBKJVPL-UHFFFAOYSA-N 370.747 3.711 0 40 FHAB CCc1ccccc1N(C)S(=O)(=O)c1ccc(Br)cc1 224724469 FWWWMIHXNJPCPK-UHFFFAOYSA-N 354.269 3.837 0 40 FHAB CN(c1cccc(C(=O)NC2CCCCC2)c1)S(=O)(=O)c1ccccc1 224251678 JTYDESORPBNSOW-UHFFFAOYSA-N 372.490 3.574 0 40 FHAB CCCC[C@@](C)(OCC)C(=O)Nc1cnc(OCCOCC)c(C)c1 225896952 KQTDXRKABUSGLP-LJQANCHMSA-N 352.475 3.729 0 40 FHAB Cc1ccccc1CNC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 225310351 KOZGZPNBSIQVNK-UHFFFAOYSA-N 353.491 3.917 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 223621146 ARCJKTWDYCZXPA-LJQANCHMSA-N 366.505 3.789 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCOc1ccc(C)cc1C 224464500 QTPDFLVFBRTHRQ-LJQANCHMSA-N 357.450 3.665 0 40 FHAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C)C2)c(C)c1Br 231424921 QCQMZMMLZHLMHM-JTQLQIEISA-N 360.317 3.795 0 40 FHAB COc1cc2c3c(c1)C(CN1[C@H](C)CCC[C@H]1C)=CC(C)(C)N3C(=O)C2=O 334161000 QNFSDGPQNCDUBR-ZIAGYGMSSA-N 368.477 3.663 0 40 FHAB COc1ccc2c(c1)C1(CC1)CN(C(=O)c1cc(-c3ccc(C)o3)[nH]n1)C2 584024915 GJQYOOCURVCDEW-UHFFFAOYSA-N 363.417 3.674 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@H]1C(=O)NCc1ccoc1 245818467 KCNJFIUYOGXHNL-LZQZEXGQSA-N 366.461 3.680 0 40 FHAB COc1c(C(=O)NCCN(C)C)ccc2c1[C@@H]1C[C@H](C)CC[C@H]1C(C)(C)O2 257289656 PZQCMWOTUKTDED-DJIMGWMZSA-N 374.525 3.677 0 40 FHAB C[C@@H](NC(=O)N[C@@H]1CCCc2ccc(Cl)cc21)c1nnc2n1CCCC2 623774103 PEWHKUCCHHNUFW-MLGOLLRUSA-N 373.888 3.706 0 40 FHAB CCc1cc(O)nc(-c2cccc(NC(=O)[C@@H]3Cc4ccc(F)cc43)c2)n1 684396747 RWEPMFQMRXNXAZ-GOSISDBHSA-N 363.392 3.829 0 40 FHAB c1ccc2c(c1)C[C@@H]1O[C@]3(CCCC[C@@]34N[C@@H]3c5ccccc5C[C@@H]3O4)N[C@H]21 96837304 QRTLPEUTEFJSFH-PQZIIDKGSA-N 374.484 3.525 0 40 FHAB O=C(N1CC(OCC(F)(F)F)C1)C1(c2ccc(Cl)cc2)CCCC1 390829108 CSHSHXTUFLXIMQ-UHFFFAOYSA-N 361.791 3.942 0 40 FHAB O=S(=O)(c1ccc(Br)cc1)N1CC[C@H](c2cccs2)C1 820284908 USRHCEVSZSGSEJ-NSHDSACASA-N 372.309 3.689 0 40 FHAB Oc1nc2c(I)cccc2c(O)c1-c1ccccc1 685936909 CDRRTBSCIBKPEZ-UHFFFAOYSA-N 363.154 3.918 0 40 FHAB CCN(C(=O)c1nn(CC(C)C)c(=O)c2ccccc12)c1ccc(F)cc1 57744963 BCDBPMSXOSASFP-UHFFFAOYSA-N 367.424 3.858 0 40 FHAB Cc1ccc(NC(=O)N[C@@H](Cn2cncn2)c2ccccc2)c(Cl)c1 68555330 MVUJTNPSLTZYCN-KRWDZBQOSA-N 355.829 3.803 0 40 FHAB CSc1nc(C)c(CCC(=O)Nc2ccc3c(c2)CCCN3C)c(C)n1 64846115 LCOLIZSNSPYTII-UHFFFAOYSA-N 370.522 3.769 0 40 FHAB CCN1CCc2ccc(NS(=O)(=O)Cc3ccc(F)c(Cl)c3)cc21 683708003 JGTCJIFSXQPYFS-UHFFFAOYSA-N 368.861 3.803 0 40 FHAB COc1cccc(NC(=O)COC(=O)/C=C/c2nc3ccccc3s2)c1 6175624 YRGDMRLPPUXJGZ-MDZDMXLPSA-N 368.414 3.500 0 40 FHAB Cc1ccccc1C(=O)N(c1ccc(Cl)cc1)[C@@H]1C=CS(=O)(=O)C1 5070553 HIOXQMOZGUDJQF-MRXNPFEDSA-N 361.850 3.606 0 40 FHAB Cc1ccc(-c2nc(C(=O)N3CCN(c4nccs4)CC3)cs2)cc1 11187659 SOHLMBVVIYTFTE-UHFFFAOYSA-N 370.503 3.537 0 40 FHAB O=C(Cc1cccs1)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 12117174 SKJOUXOKEAGBOK-MRXNPFEDSA-N 364.474 3.549 0 40 FHAB Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)c(=O)n1C 19131907 VFJCUISOVQNQTF-UHFFFAOYSA-N 373.865 3.647 0 40 FHAB CCc1nccn1CCC(=O)N[C@H]1[C@H]2CCCC[C@H]2[C@@H]1c1ccccc1 19523656 IWQBXYMQKMVSRD-KSCDAYEDSA-N 351.494 3.924 0 40 FHAB Cc1noc(-c2c[nH]nc2[C@H]2CCCN2C(=O)Cc2ccccc2)c1C 19558047 AOAWXTLHNWBFSP-QGZVFWFLSA-N 350.422 3.588 0 40 FHAB COC(=O)c1cc(C2CCN(C(=O)c3oc4ccccc4c3C)CC2)no1 19717683 QMVWYUBZIMHCDL-UHFFFAOYSA-N 368.389 3.536 0 40 FHAB Cc1n[nH]c(C)c1[C@@H](C)NC(=O)CC1CCN(CCc2ccccc2)CC1 19748479 XMORHHDMAOSGFV-MRXNPFEDSA-N 368.525 3.549 0 40 FHAB CC(C)N(C(=O)CN1C(=O)S/C(=C\C=C\c2ccco2)C1=O)C(C)C 6327456 DNKKHKSDWMHJMA-GHXLPOHCSA-N 362.451 3.518 0 40 FHAB O=C(Cc1csc(NC(=O)NC2CCCCC2)n1)NC1CCCCC1 9785119 LAFLJMMNTLTULR-UHFFFAOYSA-N 364.515 3.589 0 40 FHAB C[C@@H](CN(C)[C@@H](C(=O)O)c1ccccc1Br)c1nccs1 659787378 HEEJLWGZDZLKBM-GXFFZTMASA-N 369.284 3.767 0 40 FHAB FC(F)c1ccc(-c2noc([C@@H]3CN(Cc4ccccc4)CCO3)n2)cn1 664959115 XHOWGMGRLVEYEG-INIZCTEOSA-N 372.375 3.643 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 15992950 FBMVQZPNEIUYKC-RHSMWYFYSA-N 361.463 3.562 0 40 FHAB COc1ccc(-c2nnc(SCc3nnc(-c4ccco4)o3)o2)cc1 8395667 PCUDUZPJKOAOLJ-UHFFFAOYSA-N 356.363 3.681 0 40 FHAB Cc1nccn1CC1CN(c2ccc3ccc(Br)cc3n2)C1 1889160440 CCTOWAOJVQJZCH-UHFFFAOYSA-N 357.255 3.639 0 40 FHAB CC(C)COC(=O)N1CCC([C@H]2CCCCN2Cc2ccncc2)CC1 2056225075 ASSHDZHMSOUALY-HXUWFJFHSA-N 359.514 3.941 0 40 FHAB CN(C)CCN(C(=O)CSc1ccccc1)c1nc2ccccc2s1 4585249 LRYONSMSPXXMIE-UHFFFAOYSA-N 371.531 3.983 0 40 FHAB COc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)c2ccccc12 4517779 INNNJWJRHYNOCF-UHFFFAOYSA-N 355.415 3.504 0 40 FHAB CC(C)C(=O)N1CCCc2cc(NS(=O)(=O)C3CCCCC3)ccc21 5099678 PPZBRRIPRVNZHJ-UHFFFAOYSA-N 364.511 3.696 0 40 FHAB COc1ccc(Cn2c(C)c(C)c(S(=O)(=O)c3ccccc3)c2N)cc1 12372617 BGDOESOEPIUOKO-UHFFFAOYSA-N 370.474 3.577 0 40 FHAB Cc1ccc2[nH]c3c(=O)n(CCC(=O)Nc4ccc(C)c(C)c4)cnc3c2c1 23125592 BAQCVUFNJXPNHV-UHFFFAOYSA-N 374.444 3.832 0 40 FHAB COc1ccc(S(=O)(=O)NCc2ccc(-c3ccsc3)o2)cc1F 575611884 ZQZBQJMILWUCPU-UHFFFAOYSA-N 367.423 3.634 0 40 FHAB NC(=O)c1cc2cc(Br)ccc2o/c1=N\c1ccc(F)cc1 2471383 SBOFBDWKZUOCKO-SILNSSARSA-N 361.170 3.666 0 40 FHAB CCOc1ccc(C(=O)Nc2ccnn2Cc2ccc(OC)cc2)cc1 28293278 JANZELWHACLUIS-UHFFFAOYSA-N 351.406 3.591 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC[C@H](O)c1cccs1 77114192 SPEOMDPEVDJRBZ-AWEZNQCLSA-N 353.871 3.799 0 40 FHAB CCNc1nc(SCc2nc(N)c3ccccc3n2)nc2ccccc12 31766710 BNNOOHSCONCDQK-UHFFFAOYSA-N 362.462 3.879 0 40 FHAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc(OCC(F)(F)F)cc1 31886882 BXOZQQUDYXWIPC-OAHLLOKOSA-N 351.324 3.881 0 40 FHAB Cc1[nH]c2ccc(C(=O)NCc3ccnc(OCC(F)F)c3)cc2c1C 91044483 FMQPSNVCANLMDO-UHFFFAOYSA-N 359.376 3.754 0 40 FHAB COc1cc(OC)c(C(=O)OCCOc2c(C)cccc2C)cc1OC 11410296 IEKRPYCMMINKOW-UHFFFAOYSA-N 360.406 3.565 0 40 FHAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)N(C)C2CCCCC2)n1C 36802265 PRRAUIVJYMQQSO-ZDUSSCGKSA-N 362.499 3.655 0 40 FHAB S=C1N(c2ccccc2)CN(C[C@H]2CCCO2)CN1c1ccccc1 20523165 BUKZFCAMQOMTKR-LJQANCHMSA-N 353.491 3.694 0 40 FHAB CCOC(=O)CSc1nnc(CNc2cc(Cl)ccc2Cl)o1 813008 BCTBRCWRCYTKHL-UHFFFAOYSA-N 362.238 3.644 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3O)o2)cc1 873552 QXIDGJUXBKXZLU-GFCCVEGCSA-N 355.419 3.870 0 40 FHAB COC(=O)C[C@H](NC(=O)N[C@@H](C)c1ccccc1F)c1cccs1 29330371 DCQFFVFOYYGJCY-FZMZJTMJSA-N 350.415 3.552 0 40 FHAB CNC(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 29323699 LDLFFSTWMSJLSA-UHFFFAOYSA-N 374.249 3.546 0 40 FHAB COc1ccccc1NC(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1 1379608 VFYNYAHOYGVQFF-INIZCTEOSA-N 373.840 3.984 0 40 FHAB O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@H](c2nnc3ccccn23)C1 40817300 NIHZMMXJAJPBJU-CQSZACIVSA-N 374.366 3.768 0 40 FHAB COc1cc(NC(=O)c2sc(-n3cccc3)nc2C)cc(OC)c1OC 11865912 HJEROEYCXJNKQV-UHFFFAOYSA-N 373.434 3.520 0 40 FHAB CCOc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 4965648 RHLPQEJKKMNHRL-MRXNPFEDSA-N 367.449 3.968 0 40 FHAB O=C(OCCOc1c(Cl)cccc1Cl)c1ccc2c(c1)OCO2 6610075 JXNJZLVFQZCABP-UHFFFAOYSA-N 355.173 3.958 0 40 FHAB CCc1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 6720531 MDIACNJEEJDHQG-UHFFFAOYSA-N 367.474 3.538 0 40 FHAB Oc1ccc(C(=S)N2CCN(c3ccc(F)cc3)CC2)cc1Cl 6970659 KZFJOUDVCVFHEK-UHFFFAOYSA-N 350.846 3.682 0 40 FHAB COc1ccc([C@H](C)NC(=O)c2cncn2-c2ccc(F)cc2)cc1F 32745028 PIOXFMJTVJWKAL-LBPRGKRZSA-N 357.360 3.650 0 40 FHAB CCC(C)(C)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 57157118 UYHBCYACIPBBHE-UHFFFAOYSA-N 360.479 3.714 0 40 FHAB CCOc1ccccc1CCCNS(=O)(=O)c1ccc(SC)cc1 10111010 KKQQNFLEKWXSQW-UHFFFAOYSA-N 365.520 3.718 0 40 FHAB O[C@@H]1Cc2ccc3ccccc3c2N(Cc2nc(-c3cccs3)no2)C1 32819458 DTWCQWBRSFMSDV-OAHLLOKOSA-N 363.442 3.875 0 40 FHAB COc1ccc(-c2nnc([C@H](C)OC(=O)c3cccc(N(C)C)c3)o2)cc1 8098247 PSXRHANJPMVEQB-ZDUSSCGKSA-N 367.405 3.729 0 40 FHAB COc1ccc(CS[C@H](C)C(=O)NCc2ccc(F)cc2)cc1F 32814594 IIHTWBXTLNPSNQ-GFCCVEGCSA-N 351.418 3.912 0 40 FHAB O=C(COC(=O)[C@H]1CC=CCC1)Nc1ncc(C(F)(F)F)cc1Cl 10850839 FBSMTEFBVYNJBQ-VIFPVBQESA-N 362.735 3.592 0 40 FHAB COc1ccc(C2(NCc3ccnc(N4CCCC4)n3)CCCC2)cc1 57822860 OOKGWTHFARKBIO-UHFFFAOYSA-N 352.482 3.645 0 40 FHAB O=C(Nc1nc2c(s1)CCCCC2)[C@@H]1CC(=O)N(c2ccccc2F)C1 21902175 BBFZYIKNGAPMPJ-GFCCVEGCSA-N 373.453 3.543 0 40 FHAB C[C@@H]1[C@@H](NC(=O)CCC(=O)NC2C3CC4CC(C3)CC2C4)CCC[C@H]1C 103141096 BTUCYBZERXDADI-CDPMJBQOSA-N 360.542 3.648 0 40 FHAB CCN1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CC1=O 58737036 JHOZRIJYMHDMTO-ZDUSSCGKSA-N 358.825 3.939 0 40 FHAB CCn1cc(-c2ccnc(SCC(=O)c3ccc(F)cc3F)n2)c(C)n1 2731009 PPYJSNBJYVXKJB-UHFFFAOYSA-N 374.416 3.922 0 40 FHAB O=C(NC1CCCCC1)c1ccccc1NS(=O)(=O)c1cccs1 687774 DTLMHVMFHFJJOV-UHFFFAOYSA-N 364.492 3.611 0 40 FHAB C[C@@H](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccc(F)cc1F 22316232 ACAPZTXTBQIIDQ-TZMCWYRMSA-N 358.388 3.733 0 40 FHAB Cc1cccc(Cc2cnc(NC(=O)CSc3ncccn3)s2)c1 818848 LAOXOTSTIGOQQT-UHFFFAOYSA-N 356.476 3.563 0 40 FHAB COC(=O)c1sccc1NC(=O)COc1cc(Cl)cc(Cl)c1 984190 GNDPQYJRNRLZRQ-UHFFFAOYSA-N 360.218 3.859 0 40 FHAB Cc1c(Cl)cccc1NC(=O)[C@H](C)Cn1cc(Br)cn1 28237411 IRMLFZUCKGXKMT-SECBINFHSA-N 356.651 3.882 0 40 FHAB CCc1[nH]c(C(=O)N(C)Cc2nc3ccccc3s2)c(C)c1C(=O)OC 24073622 UXCJKGRJEYYLLW-UHFFFAOYSA-N 371.462 3.554 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(C)[C@@H](C)c1cccs1 24237086 GJXFGGXPOKQWSI-AWEZNQCLSA-N 367.474 3.953 0 40 FHAB CCC[C@H](c1nnnn1C(C)(C)C)N1CCN(c2cccc(C)c2C)CC1 57669664 RKKWKSUAABDTOA-LJQANCHMSA-N 370.545 3.708 0 40 FHAB Cc1c([C@H](C)NC(=O)c2cc(Br)ccc2Cl)cnn1C 25006285 ZIMROCIWWMBKGX-QMMMGPOBSA-N 356.651 3.635 0 40 FHAB CCNC(=O)NC(=O)[C@H](C)Nc1ccc(Oc2ccc(OCC)cc2)cc1 25426285 LRJQHUQJJHMFGI-AWEZNQCLSA-N 371.437 3.524 0 40 FHAB CC(C)C[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2ON1c1ccccc1 102725344 IGKFVPFUHTWJMI-GBESFXJTSA-N 368.408 3.550 0 40 FHAB Cc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C)c1 25763617 JQZXAFCQUPVNCR-UHFFFAOYSA-N 363.383 3.680 0 40 FHAB O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(C(=O)O)c(Cl)c1 20508568 PWAKOIULIDQCDO-RMKNXTFCSA-N 360.822 3.565 0 40 FHAB O=C(Nc1nc(-c2cccs2)cs1)[C@H]1CCCN(c2ncccn2)C1 27596345 CLEOOIGUMHETSX-LBPRGKRZSA-N 371.491 3.517 0 40 FHAB CCN(Cc1cc(=O)n2nc(C)sc2n1)[C@H](C)c1cc2ccccc2o1 58172420 XSRHKEBVOKRNEK-GFCCVEGCSA-N 368.462 3.789 0 40 FHAB COc1c(Cl)cc(NCc2cc(=O)n3ccsc3n2)cc1Cl 58283071 PDAANOARLWJNNN-UHFFFAOYSA-N 356.234 3.684 0 40 FHAB CCN(CC)CCNCc1ccc(OCc2ccc(F)cc2)c(OC)c1 22075274 WMDBQNHBLDCRGM-UHFFFAOYSA-N 360.473 3.845 0 40 FHAB Cc1nc(SCc2noc(C(C)(C)C)n2)n(C[C@@H]2CCCO2)c1C 58266620 APVOHVSEEWJCJG-ZDUSSCGKSA-N 350.488 3.652 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2C)C1 8216852 QCJYVLKTNMYTFR-CYBMUJFWSA-N 358.825 3.649 0 40 FHAB Cc1csc(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)n1 10555832 JRQXPFBOKXEXGM-UHFFFAOYSA-N 364.430 3.931 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)COC(=O)CCOc1ccccc1C 3253858 BXGISGFUQBXMFB-UHFFFAOYSA-N 361.825 3.908 0 40 FHAB COc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)cc1 20486956 XZWIOJSYQVCQSE-CQSZACIVSA-N 372.490 3.953 0 40 FHAB Cn1c(=O)n(C)c2cc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)ccc21 69516350 MQHJKEQAIJFXTA-MDWZMJQESA-N 363.461 3.826 0 40 FHAB C[C@@H]1CCC2=NN(C(=O)CCc3ccccc3)[C@@](O)(C(F)(F)F)[C@H]2C1 409051540 AQHBXMDWQXNEII-IFIJOSMWSA-N 354.372 3.505 0 40 FHAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN(Cc1ccccc1)Cc1ccccc1 3345373 UOEPNNGXPJHKQJ-NHCUHLMSSA-N 360.457 3.598 0 40 FHAB CC[C@H](C)c1ccc(NC(=O)[C@H](C)Oc2cccc(-n3cnnn3)c2)cc1 12735755 GNBANRAKKQAACI-GJZGRUSLSA-N 365.437 3.582 0 40 FHAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCc1cccc(Cl)c1 12750934 HQZHJRLPYVKNPX-UHFFFAOYSA-N 360.793 3.818 0 40 FHAB O=C(c1ccc(Cl)cc1F)N1CCCN(Cc2ccc(F)cc2)CC1 12768064 OWDDHWXZHVRHPA-UHFFFAOYSA-N 364.823 3.966 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)c1cc(Cl)ccc1F)c1ccccc1F 12767691 ZOQDGHJBGPGWQE-INIZCTEOSA-N 361.779 3.871 0 40 FHAB C[C@@H](NC(=O)COC(=O)c1cc(F)c(F)cc1Cl)c1ccccc1 3445804 NMQGQAQXTCCNBZ-SNVBAGLBSA-N 353.752 3.652 0 40 FHAB C[C@H](Oc1ncnc2c(Cl)cc(Cl)cc12)C(=O)NCc1ccco1 3418082 JPAWYSQAVZLSOF-VIFPVBQESA-N 366.204 3.613 0 40 FHAB O=C(CSc1nnc(C2CC2)o1)Nc1nc(-c2ccccc2)cs1 12987806 XMIVZOYDZZULQZ-UHFFFAOYSA-N 358.448 3.801 0 40 FHAB Cc1ccc(CN(C)C(=O)[C@@H](C)NC(=O)OCc2ccccc2)c(C)c1 12982152 JTLGZWODRCOJRC-QGZVFWFLSA-N 354.450 3.577 0 40 FHAB Cc1cc(C)c(NC(=O)Cn2cnc3c(C)cccc3c2=O)c(Cl)c1 12998699 DECABDNWGJCGMX-UHFFFAOYSA-N 355.825 3.614 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)CN[C@H](C)c1ccccc1Cl 13040166 NIVCOWTUYHBEGM-CYBMUJFWSA-N 360.841 3.806 0 40 FHAB COCCNCc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 8469061 VOYIKLGZEBZIIZ-UHFFFAOYSA-N 353.821 3.803 0 40 FHAB O=C(Nc1nc(-c2ccccc2)cs1)c1cn(Cc2ccccc2)nn1 26358721 RSHKOESHVVRVFF-UHFFFAOYSA-N 361.430 3.702 0 40 FHAB Cc1cc(C)n2nc(SCc3nnc(-c4ccc(Cl)cc4)o3)nc2n1 8621624 YHTHUWJRHFHSRD-UHFFFAOYSA-N 372.841 3.737 0 40 FHAB Cc1cc(C)c(C(=O)COC(=O)/C=C/c2cnc3ccccc3n2)cc1C 6280548 ZGQFANXCWFPUKO-CMDGGOBGSA-N 360.413 3.994 0 40 FHAB C[S@](=O)c1ccc(C(=O)Nc2ccccc2OCc2cscn2)cc1 65479882 YMJJUMSYOWBWPK-RUZDIDTESA-N 372.471 3.712 0 40 FHAB COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c(OC)c1 14062742 OSHICTHZVLUEIZ-UHFFFAOYSA-N 357.797 4.000 0 40 FHAB C[C@@H]1CN(C(=O)c2cc3ccccc3cc2NC(=O)C2CC2)CC(C)(C)O1 65610656 LACNYSIBMKRUPP-CQSZACIVSA-N 366.461 3.828 0 40 FHAB O=C(NCc1cccs1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 6508214 DYQWDOXIBAMELX-CQSZACIVSA-N 362.882 3.570 0 40 FHAB Cc1nn([C@@H](C)CC(=O)n2cnc3ccccc32)c(C)c1Br 8714516 QRKGRAPRJCGYCO-JTQLQIEISA-N 361.243 3.904 0 40 FHAB CC1=C(C(=O)Nc2ccc(C)c(C)c2)[C@@H](c2ccc(F)cc2)NC(=O)N1 5753718 UUVAGEDOJZDUCG-GOSISDBHSA-N 353.397 3.709 0 40 FHAB CCc1ccc(-c2n[nH]c(S[C@H](C(=O)N(C)C)c3ccccc3)n2)cc1 6846524 KZVAYRYVWWQRLB-KRWDZBQOSA-N 366.490 3.956 0 40 FHAB CN(CCCNC(=O)CSc1ccc(F)c(F)c1)c1ccccc1 7251141 USEPUJDPMJATNN-UHFFFAOYSA-N 350.434 3.700 0 40 FHAB CCCCNc1nnc(S[C@H](C)C(=O)Nc2ccc(OC)cc2)s1 7226810 KGGVYRYOOFWOIA-LLVKDONJSA-N 366.512 3.878 0 40 FHAB O=C(NCc1ccc(F)cc1)c1cc(-c2ccc(Br)cc2)n[nH]1 15721667 PLMGIZFIOFESHR-UHFFFAOYSA-N 374.213 3.908 0 40 FHAB O=C(CN1CC=C(c2ccccc2)CC1)Nc1ccc2c(c1)OCCCO2 7651051 ZYTNAJPCJCNWJO-UHFFFAOYSA-N 364.445 3.576 0 40 FHAB COc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccsc2)cc1 9057927 SRZQOVKBWDKUHZ-UHFFFAOYSA-N 366.442 3.939 0 40 FHAB CCN(CC(=O)NCc1cccs1)C(=O)c1cccc(C(F)(F)F)c1 7842387 QNWAAZUHWPYVRR-UHFFFAOYSA-N 370.396 3.545 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3ccc(F)cc3)o2)no1 7875057 WJGBVYUIPLPPTH-LLVKDONJSA-N 358.325 3.566 0 40 FHAB CCCN1C(=O)COc2ccc(-c3csc(NC(=O)C(C)(C)C)n3)cc21 19820265 BQEYNBDWZJNFIU-UHFFFAOYSA-N 373.478 3.930 0 40 FHAB CC[C@@H]1CCc2nc(NC(=O)CN(C)c3ccc(Cl)cn3)sc2C1 96999233 RDOOUBXVAKLPLB-LLVKDONJSA-N 364.902 3.781 0 40 FHAB Cc1ccc(Cl)cc1N1CCN(Cc2c(C)nn(C)c2Cl)CC1 97027453 BOUSXHMOZNSVQA-UHFFFAOYSA-N 353.297 3.666 0 40 FHAB C[C@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1cccc(Br)c1 22234068 FJZFONFKOBMEJK-NSHDSACASA-N 371.234 3.782 0 40 FHAB Cc1ccc([C@H](NS(=O)(=O)Cc2cc(C)no2)c2ccccc2)cc1 72301838 BNTMIRRNMPMUKF-LJQANCHMSA-N 356.447 3.500 0 40 FHAB O=C(NC[C@H]1CCCCN1C(=O)NC1CCCCC1)Nc1ccccc1 95353019 GWSJYEWWLGQXMF-GOSISDBHSA-N 358.486 3.705 0 40 FHAB Cc1sc2ncc(C(=O)N3CC[C@H](C)C[C@@H]3c3ccco3)c(=O)n2c1C 95463101 STGPKULSYWKKOO-XHDPSFHLSA-N 371.462 3.579 0 40 FHAB O=C1Cc2cc(NC(=O)[C@@H](OC3CCCC3)c3ccccc3)ccc2N1 78703506 YSPRJMWRPQZQDS-FQEVSTJZSA-N 350.418 3.820 0 40 FHAB CC(C)c1ccc(Nc2nnc(SCc3ccccc3)n(N)c2=O)cc1 28535804 JEMZOZGVZAAINK-UHFFFAOYSA-N 367.478 3.511 0 40 FHAB O=C(Nc1cc(-c2ccccc2)n[nH]1)c1ccn(COc2ccccc2)n1 28240108 SHYKXAYMFZRGTL-UHFFFAOYSA-N 359.389 3.562 0 40 FHAB COc1cc2c(cc1OC)[C@H](c1cc(Br)ccc1F)NCC2 20507052 AWNWKFCKJKFYHO-QGZVFWFLSA-N 366.230 3.841 0 40 FHAB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc2ccccc2c1 24114566 FTENFNUJOSINGL-QFIPXVFZSA-N 360.457 3.643 0 40 FHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(C(=O)OC)ccc1C 408702897 JVWPBMVJBQRFQS-SFHVURJKSA-N 357.406 3.586 0 40 FHAB CCOc1ccccc1-c1nnc(SCc2ccc(C(=O)O)o2)n1CC 408559273 YXGAVPGOJWIZKZ-UHFFFAOYSA-N 373.434 3.947 0 40 FHAB O=C(COC[C@@H]1CCCCO1)N[C@H]1[C@H]2CCCC[C@H]2[C@@H]1c1ccccc1 36719547 LKBLVJDAOFNYSY-AINOVGTFSA-N 357.494 3.661 0 40 FHAB CC(C)(C)NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 38756014 DSGJYNMMRBNMNZ-UHFFFAOYSA-N 366.870 3.669 0 40 FHAB CN(CCCNC(=O)/C=C/c1cnn(-c2ccccc2)c1)Cc1ccccc1 32902653 JTRAFQQLMDKIBN-BUHFOSPRSA-N 374.488 3.524 0 40 FHAB COc1ccc(NC(=O)c2cn(-c3ccccc3)c(=O)c3ccccc23)cn1 71285536 WCWKSCCXLBWOGI-UHFFFAOYSA-N 371.396 3.647 0 40 FHAB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1O 214328845 VTIALUHNDXTANF-CXUHLZMHSA-N 359.378 3.776 0 40 FHAB O=C(O)[C@@H]1CC(=O)N(c2ccc3nc(Cc4ccc(Cl)cc4)oc3c2)C1 70461419 IWWQGYULXJPYSY-GFCCVEGCSA-N 370.792 3.510 0 40 FHAB Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)c2ccco2)c1C 675007772 ORQQRMCDEZLOOQ-INIZCTEOSA-N 368.458 3.845 0 40 FHAB CC[C@H](Oc1ccccc1)C(=O)NCC1(c2ccccc2)CCOCC1 224197548 CMAJLQZHHMWGHR-FQEVSTJZSA-N 353.462 3.709 0 40 FHAB CN(Cc1cccs1)C(=O)CSc1nnc(C2CCCCC2)o1 40159064 UDGGWMJVZRAHOM-UHFFFAOYSA-N 351.497 3.930 0 40 FHAB O=C(/C=C/c1cccs1)NCC1CCN(C(=O)Oc2ccccc2)CC1 43983224 HUYPJPLUSWDPSO-CMDGGOBGSA-N 370.474 3.789 0 40 FHAB COc1ccc([C@H](C)NC(=O)COc2cccc(C(F)(F)F)c2)cc1 139641908 ZQRAJXZIVCKZOP-LBPRGKRZSA-N 353.340 3.970 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 222998866 AHHGLADMVHQNIU-OAQYLSRUSA-N 366.505 3.708 0 40 FHAB COc1ccccc1Oc1ccc(NC(=S)NCc2ccco2)cn1 223903127 WVTPDMYOFIDZBC-UHFFFAOYSA-N 355.419 3.962 0 40 FHAB C[C@H]1Sc2ccccc2N(C(=O)c2ncn(-c3ccccc3)n2)[C@@H]1C 92869524 RMFVMJIAIGMWJV-ZIAGYGMSSA-N 350.447 3.797 0 40 FHAB OCc1cc(Br)c(OCC(F)(F)F)c(Br)c1 236512243 RTFRZMCNLPGSLQ-UHFFFAOYSA-N 363.955 3.645 0 40 FHAB Cc1cn(C)c([C@H]2CCCN(C(=O)c3[nH]c4ccc(F)cc4c3C)C2)n1 257217465 CZBZWTAPWNMTEX-AWEZNQCLSA-N 354.429 3.677 0 40 FHAB Cc1cc(C[C@@H](C)NC(=O)Nc2cnc(N3CCCC[C@@H]3C)c(C)c2)n[nH]1 547833963 LRIZNKDLBMFISY-ZBFHGGJFSA-N 370.501 3.553 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H]2NC(=O)OCc2ccccc2)C1 606242749 AYCRMAQBNMOQAX-OXJNMPFZSA-N 360.454 3.702 0 40 FHAB COC(=O)c1cc(F)ccc1NC(=O)c1cc(C2CC2)nc2onc(C)c12 603773596 PZHWPHCSALNZSB-UHFFFAOYSA-N 369.352 3.587 0 40 FHAB CCOc1ccc(S(=O)(=O)NCc2ccc(-c3ccoc3)nc2)cc1C 390829054 CONFSYATZSUDJE-UHFFFAOYSA-N 372.446 3.527 0 40 FHAB CC(C)c1ccc(OCC(=O)N(CC(F)(F)F)C2CCOCC2)cc1 75166631 WYTBVJALNKYTRU-UHFFFAOYSA-N 359.388 3.759 0 40 FHAB CCC[C@@H](O)CN(CCO)CCCc1ccc(COc2ccccc2)cc1 95101096 COMNCEHONISSOD-JOCHJYFZSA-N 371.521 3.654 0 40 FHAB O=c1cncc(Br)n1CCCOc1ccc2ccccc2c1 1322038645 CSZGDVGSQVOXQL-UHFFFAOYSA-N 359.223 3.628 0 40 FHAB CC(=O)N1CC2(CCN(C3CCCCC3)CC2)C[C@H]1Cc1ccccn1 1615192113 RHBODMRWDUSILD-OAQYLSRUSA-N 355.526 3.660 0 40 FHAB CC(C)n1cnnc1SCC(=O)Nc1ccc(N2CCCCC2)cc1 5279634 YFTCOTBKAXBDJO-UHFFFAOYSA-N 359.499 3.580 0 40 FHAB CC(C)(C)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 5976526 ZAYMQALPMNMJAB-GOSISDBHSA-N 358.463 3.582 0 40 FHAB Cc1cccc(OCC(=O)Nc2nc(-c3ccc(F)cc3)ns2)c1C 11914893 AFDLISUDNYFCTI-UHFFFAOYSA-N 357.410 3.979 0 40 FHAB COc1ccc(C2(NC(=O)[C@H]3OCOc4ccccc43)CCCC2)cc1 12197680 XWXIBCDGWQRSLX-IBGZPJMESA-N 353.418 3.689 0 40 FHAB COc1ccc(/C=C2\SC(=O)N(C(C)C)C2=O)cc1Br 15012857 UFIOAATVKFNFIU-GHXNOFRVSA-N 356.241 3.902 0 40 FHAB C[C@H](NC(=O)c1ccc(I)cc1)c1ccc(F)cc1 17916191 DZAJMZIBHGHKSX-JTQLQIEISA-N 369.177 3.921 0 40 FHAB Fc1cccc(CNc2ncc(-c3cnccn3)c([C@@H]3CCCO3)n2)c1 19293938 GLXDRSQCYKERPD-KRWDZBQOSA-N 351.385 3.536 0 40 FHAB CCCn1cnc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)n1 19666538 DRUCEYDHXHCBOS-UHFFFAOYSA-N 358.405 3.551 0 40 FHAB CC[C@@H](C)Oc1ccccc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O 7071523 OLQQMKBRYGZUAM-COYFKBPASA-N 350.418 3.957 0 40 FHAB O=C1OC(c2ccccc2)=N/C1=C/c1ccc(-c2ccccc2C(=O)O)o1 5899891 IZLFTFNEQJIEAN-SFQUDFHCSA-N 359.337 3.989 0 40 FHAB O=C(NCc1ccccc1)/C(=C/c1ccccc1)NC(=O)c1ccccc1 1637141 ZBTYFIVKRZUEAY-PGMHBOJBSA-N 356.425 3.774 0 40 FHAB COc1cc(/C=C/C(N)=O)cc(Br)c1OCc1ccccc1 226335129 PSJURZGOFLDBIQ-BQYQJAHWSA-N 362.223 3.535 0 40 FHAB C[C@H](CC[C@]1(C)[C@H](C)CC[C@]2(C)C(C(=O)O)=C[C@@H](O)C[C@@H]21)CC(=O)O 253389950 WKLBQXBQKCRIRS-GBBCETDASA-N 352.471 3.712 0 40 FHAB biogenic,in-vitro Clc1ccccc1-n1c(SC[C@@H]2CCCO2)nnc1N1CCCC1 6994444 XVEUJRQVAWBOEW-ZDUSSCGKSA-N 364.902 3.792 0 40 FHAB CN(c1ncccc1C(F)(F)F)[C@@H]1CCCN(Cc2ccncc2)C1 1889122630 OLGUJEZKDATHIR-OAHLLOKOSA-N 350.388 3.596 0 40 FHAB CN(C)[C@H](CNC(=O)c1ccc(COc2ccccc2)o1)c1cccs1 27675643 NBAWVJHRBGZXRU-QGZVFWFLSA-N 370.474 3.953 0 40 FHAB CCOc1ccc2nc3sc(C(=O)NCc4ccco4)c(N)c3cc2c1 917115 UIYGKYACVMPHNO-UHFFFAOYSA-N 367.430 3.953 0 40 FHAB COc1ccc(OC)c2sc(NC(=O)c3c(F)cccc3F)nc12 4331365 PEOKJMYUNBTDIG-UHFFFAOYSA-N 350.346 3.844 0 40 FHAB Cc1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c(C)c1 5188420 OXBRTQHBGISDJL-QGZVFWFLSA-N 351.450 3.847 0 40 FHAB COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)Nc1cc(C)ccc1C 8369890 HUAKCNMCQGNTHV-LJQANCHMSA-N 365.433 3.579 0 40 FHAB Cc1nc(C)c(-c2ccc(SCC(=O)Nc3ccccc3)nn2)s1 9577971 QTTFYIXMVSHSKS-UHFFFAOYSA-N 356.476 3.948 0 40 FHAB CC(C)N1CCC(CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1 12441472 YEBHVLQGXOSRAG-UHFFFAOYSA-N 372.534 3.752 0 40 FHAB Cc1ccc(C(=O)CSc2nccn(-c3cccc(F)c3)c2=O)c(C)c1 12415269 YGLRJDLFLKOTOE-UHFFFAOYSA-N 368.433 3.963 0 40 FHAB O=C(Cc1cccnc1)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 1890196019 QTIDOVLPXQGMIN-UHFFFAOYSA-N 372.472 3.851 0 40 FHAB COc1cc2cc(N)c(C3CCN(C(=O)C(C)(C)C)CC3)nc2cc1OC 12087935 HWOZPRPCWGAQCS-UHFFFAOYSA-N 371.481 3.586 0 40 FHAB O=C(O)c1ccccc1OCCCSc1nnc(-c2ccccc2)o1 15422790 UCUAPWOKPRMIEY-UHFFFAOYSA-N 356.403 3.996 0 40 FHAB C[C@H](OCC(F)(F)F)C(=O)N1CCC(c2nc3ccccc3o2)CC1 40093802 SRTPIEYMXIXWAD-NSHDSACASA-N 356.344 3.501 0 40 FHAB CCN(c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1)C(C)C 28995143 ARKYQRBRZBRUBU-INIZCTEOSA-N 369.465 3.502 0 40 FHAB O=C(NCc1ccc(N2CCCCCC2)nc1)N1CCc2sccc2C1 45848751 YIKHWWLWEPEWBG-UHFFFAOYSA-N 370.522 3.791 0 40 FHAB COc1ccc2nc(S[C@H](C(=O)NC3CC3)c3ccccc3)[nH]c2c1 8134698 GBZACDZTVUQRHZ-KRWDZBQOSA-N 353.447 3.684 0 40 FHAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc3c(s2)CCCCCC3)no1 11877347 RTLHQUBJPNVCJY-LBPRGKRZSA-N 362.451 3.888 0 40 FHAB CCC(=O)N(Cc1cc2ccc(OC)cc2nc1Cl)C[C@H]1CCCO1 1329036 VFHPIRFIVVFQRD-MRXNPFEDSA-N 362.857 3.814 0 40 FHAB O=C(CCNC(=O)c1cccs1)N[C@H](c1cccs1)C1CCCC1 32396823 YKLTXHHUFNWSAC-KRWDZBQOSA-N 362.520 3.977 0 40 FHAB COCCCn1c(SCC(=O)c2ccccc2)nnc1-c1ccoc1C 4860862 KAALBNCNFMUQIR-UHFFFAOYSA-N 371.462 3.858 0 40 FHAB O=C(c1ccco1)N1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 6926623 LVUOKRPGTOQAIM-JJXUHFIVSA-N 369.417 3.517 0 40 FHAB biogenic Cc1ccc(C)c(N2C[C@@H](C(=O)Oc3cccc4cccnc34)CC2=O)c1 7928920 AWSANWCFQFFEKD-KRWDZBQOSA-N 360.413 3.810 0 40 FHAB O=C(c1ccc(I)cc1)N1CCCc2ccccc21 841225 SWQWPZRHCQTZGO-UHFFFAOYSA-N 363.198 3.884 0 40 FHAB Cc1cc(C(=O)CSc2nnc3ccccn23)c(C)n1Cc1ccco1 952920 BSUNITHIIKSJNT-UHFFFAOYSA-N 366.446 3.764 0 40 FHAB O=C(Cc1n[nH]c(=O)c2ccccc12)Oc1ccc2oc3ccccc3c2c1 23687552 YMAUGSUZNOTOAC-UHFFFAOYSA-N 370.364 3.971 0 40 FHAB O=c1cc(CSCc2coc(-c3cccs3)n2)nc2sccn12 23623314 ZLQLXIWFFKCVHQ-UHFFFAOYSA-N 361.473 3.906 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)c2ccc3ccccc3c2)cc1C(=O)O 23990483 YJMCOOLETWVLAF-UHFFFAOYSA-N 355.415 3.672 0 40 FHAB O=C(/N=c1\[nH]ccn1Cc1ccccc1)c1csc(-c2ccccc2)n1 47708959 TULXWOKFVWVFAD-UHFFFAOYSA-N 360.442 3.729 0 40 FHAB CCCc1ccc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)cc1 12583488 DIZCCSPGGNAOFA-UHFFFAOYSA-N 353.447 3.897 0 40 FHAB CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3ccccc3Cl)ccc21 12562320 GLQYBTGVQMMFCK-GFCCVEGCSA-N 357.841 3.688 0 40 FHAB COCCNC(=O)c1ccccc1NC(=O)c1cc(Cl)sc1Cl 25166321 URTRDKOOYBDTOU-UHFFFAOYSA-N 373.261 3.683 0 40 FHAB O=C([C@H]1CCCN(Cc2ccco2)C1)N1CCC(Cc2ccccc2)CC1 1458238 FGGSPQOQORSWMW-NRFANRHFSA-N 366.505 3.973 0 40 FHAB CCCNC(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 55665801 IUIXNNRPYJQASM-UHFFFAOYSA-N 360.479 3.552 0 40 FHAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(C[C@H]1CCCO1)CO3 57135515 HPHNLAPQECQITL-MRXNPFEDSA-N 363.413 3.791 0 40 FHAB biogenic CC(C)c1ccc(C(=O)OCc2nc(-c3ccc4c(c3)OCO4)no2)cc1 57476984 XDSPMSBPRLILCQ-UHFFFAOYSA-N 366.373 3.946 0 40 FHAB O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(OC(F)F)cc1 26750488 PDCLFATYYUIJEG-UHFFFAOYSA-N 365.361 3.971 0 40 FHAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(C[C@@H]2CCCO2)CC1 57606368 YPXAHTYGBGWDMG-HNNXBMFYSA-N 374.868 3.537 0 40 FHAB COC(=O)c1ccc(OC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 9261846 PHIRGLSCZORGAD-UHFFFAOYSA-N 365.341 3.538 0 40 FHAB Cc1ccc(NC(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)cc1 58174691 KZDDAIWKWOZTPW-UHFFFAOYSA-N 352.438 3.813 0 40 FHAB O=C(c1ccccc1SCc1cscn1)N1CCCN(C2CC2)CC1 58167214 XKLOVDPKBJAMNQ-UHFFFAOYSA-N 373.547 3.746 0 40 FHAB CC[C@@H](Sc1nnc(-c2ccco2)n1CCC(N)=O)c1ccccc1 58283385 DDWZKZQARLIWPC-OAHLLOKOSA-N 356.451 3.657 0 40 FHAB CCOc1cccc([C@@H](C)NC(=O)C[C@@H]2Sc3ccccc3NC2=O)c1 58201882 XVNMGLFZHLYHLN-ACJLOTCBSA-N 370.474 3.766 0 40 FHAB Cc1ncc(CN(C)C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)s1 58311089 RUQZKJKKEYZBAX-INIZCTEOSA-N 361.467 3.673 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)Nc2ccc(NC(=O)C3CC3)cc2)cc1F 10842359 ZEINPGTWETZCAS-ZDUSSCGKSA-N 355.413 3.922 0 40 FHAB O=C(NCc1ccc(O)cc1)N1CCC[C@@H](c2nc3ccccc3o2)C1 45527334 LHSSLCHAUKYIQJ-OAHLLOKOSA-N 351.406 3.623 0 40 FHAB CC1(C)CC2=C(CO1)C(=S)N[C@H](c1ccccc1)N2C[C@H]1CCCO1 2454183 PYWQZNPFVSSDSM-QAPCUYQASA-N 358.507 3.550 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)COc1ncnc2sc3c(c12)CCCC3 3318007 FJGOHWGAETWPLZ-GXTWGEPZSA-N 359.495 3.644 0 40 FHAB COc1ccccc1CNc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1 3340322 JIBINOGGDQOUNB-UHFFFAOYSA-N 367.430 3.762 0 40 FHAB Cc1c(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)oc2ccccc12 12896197 DFBXJQDLQGJEIH-OAHLLOKOSA-N 360.417 3.804 0 40 FHAB CC(C)Nc1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)s1 3407109 WFPHMKHWWQSOJN-QMMMGPOBSA-N 357.892 3.526 0 40 FHAB COc1ccc(NC(=O)Cn2c(-c3cccc(C)c3)n[nH]c2=S)cc1 12997422 FOSMVPCOFRYIMZ-UHFFFAOYSA-N 354.435 3.563 0 40 FHAB CCOc1cc([C@H]2N=C(O)c3ccccc3N2)cc(Br)c1O 4108247 RQKTZTDTTBJYSR-OAHLLOKOSA-N 363.211 3.982 0 40 FHAB O=C(Nc1ccc(Cn2cncn2)cc1)c1cc2cc(Cl)ccc2o1 13628554 MCCDKUZRYNJUJD-UHFFFAOYSA-N 352.781 3.978 0 40 FHAB CCc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 6304727 KRAOUASMVVRKTC-UHFFFAOYSA-N 372.490 3.676 0 40 FHAB Cc1ccc(CCC(=O)NCC(=O)Nc2c(C)cccc2C)cc1Cl 14190623 QNCYRTJJFUDDHB-UHFFFAOYSA-N 358.869 3.953 0 40 FHAB CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1ccsc1 14242744 FXDUATAUSLQSGG-UHFFFAOYSA-N 369.490 3.746 0 40 FHAB O=C(Nc1cccc(Cl)c1)c1cccc(N2CCCCS2(=O)=O)c1 5439025 DWQTYMLKYVNYLL-UHFFFAOYSA-N 364.854 3.522 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CC=C(c2ccccc2)CC1 4673144 ABFHZUGHYHKMPD-OAQYLSRUSA-N 362.473 3.757 0 40 FHAB COc1ccc(CNC(=O)C[C@H](C)CC(=O)Nc2ccc(F)cc2)cc1 4690945 ZFWWGPFJTNSKJB-AWEZNQCLSA-N 358.413 3.506 0 40 FHAB COc1ccc(-c2csc(NC(=O)CN3CCc4ccccc43)n2)cc1 6649343 TWELXBYTXPOYNR-UHFFFAOYSA-N 365.458 3.820 0 40 FHAB Cc1cccc(N2CCN(C(=O)COc3ccc4c(c3)CCC4)C[C@@H]2C)c1 5638162 NXYFKBSSNBTRCS-SFHVURJKSA-N 364.489 3.600 0 40 FHAB Cc1ccc2c(C)c(CCC(=O)NCc3ccccc3F)c(=O)oc2c1 8777823 NWTVONOIQNXQAT-UHFFFAOYSA-N 353.393 3.798 0 40 FHAB CCCC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nnc3ccccn23)cc1 6881602 LTLQSCQVCBBBFY-CYBMUJFWSA-N 368.462 3.831 0 40 FHAB C[C@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C)c1ccccc1 4947274 VCMRZBCDWYVPFR-ZDUSSCGKSA-N 370.453 3.591 0 40 FHAB CCN(C(=O)COC(=O)CCc1c[nH]c2ccccc12)c1ccc(F)cc1 7313723 MCQROEXIAHVWDG-UHFFFAOYSA-N 368.408 3.836 0 40 FHAB O=C(CCNC(=O)c1ccccc1)Nc1nc2ccc(Cl)cc2s1 7485938 SBWCGWUYOOTACM-UHFFFAOYSA-N 359.838 3.708 0 40 FHAB COc1cccc(-c2nnc(SCC(=O)Oc3ccccc3C)o2)c1 20899659 NGXIFCXVMZWBBH-UHFFFAOYSA-N 356.403 3.751 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2sc(C)nc2-c2ccccc2)no1 7521298 MMDSQEHISMVDSM-LLVKDONJSA-N 371.418 3.599 0 40 FHAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)c1nc2ccccc2c(=O)[nH]1 7674235 MCHMQRHLFUBMHF-JTQLQIEISA-N 353.451 3.580 0 40 FHAB CCNC(=O)c1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)c1 7735096 PXKUBTBZJLLDLJ-UHFFFAOYSA-N 372.424 3.920 0 40 FHAB CCN(CC)Cc1ccc(CNC(=O)c2cnn(-c3ccccc3)c2)cc1 7829261 WNFDBHONDCXOEU-UHFFFAOYSA-N 362.477 3.644 0 40 FHAB Cc1ccc(C)c(C2=NN=C(NCc3ccc4c(c3)OCO4)SC2)c1 7848979 DMBATODDRSRKKE-UHFFFAOYSA-N 353.447 3.629 0 40 FHAB C[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1cccc(N2CCOC2=O)c1 68664010 WFVCXIAFWJTUMK-LBPRGKRZSA-N 367.380 3.755 0 40 FHAB Cc1ccc(C(=O)CCC(=O)N2CCN(c3ccccc3Cl)CC2)cc1 7955518 LCCJBKGWCMBSGW-UHFFFAOYSA-N 370.880 3.960 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c1C 9376339 BXMGQNVYTARHKM-KRWDZBQOSA-N 352.438 3.838 0 40 FHAB CCOC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1 9315811 YXVUBZUQFYVFGY-CYBMUJFWSA-N 370.405 3.517 0 40 FHAB O=c1c2sccc2n(Cc2ccccc2F)c(=O)n1-c1cccc(F)c1 67258280 PYDUOQKRDYBQNW-UHFFFAOYSA-N 370.380 3.540 0 40 FHAB CC(C)n1ncc2c1-c1ccccc1OC21CCN(C(=O)C2CC2)CC1 306140081 UJKQJLOTICYGDI-UHFFFAOYSA-N 351.450 3.751 0 40 FHAB CCCCC(=O)Nc1nc(-c2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)cs1 19820155 PZIXJUDZZLSAAT-LLVKDONJSA-N 359.451 3.683 0 40 FHAB CC(C)NC(=O)[C@H](C)Sc1nnc(Nc2ccccc2Cl)s1 9613637 DCQWXHXDMPFQCZ-VIFPVBQESA-N 356.904 3.940 0 40 FHAB O=C(Cn1ccc(=O)c2ccccc21)N1CCCC2(CCCCCC2)C1 76067108 DUCUTAPJKWHTCH-UHFFFAOYSA-N 352.478 3.965 0 40 FHAB COc1ccc(-c2cc(C(=O)NCCSc3ccccc3)no2)cc1 72238599 WEIOBRXRAHGNJX-UHFFFAOYSA-N 354.431 3.872 0 40 FHAB O=C(COc1ccccc1-c1nccs1)N1CCc2sccc2C1 97108601 QFCIDGQCZSJJPJ-UHFFFAOYSA-N 356.472 3.835 0 40 FHAB c1cncc(-c2nnc3n2C[C@@H](CSc2nc4ccccc4o2)S3)c1 95465673 CBPSGOYFTFYPNJ-LBPRGKRZSA-N 367.459 3.748 0 40 FHAB CC(C)c1cccc(C(C)C)c1NCCOC(=O)c1cc(C(N)=O)cn1C 95450768 AWSBTSQLVACJFQ-UHFFFAOYSA-N 371.481 3.640 0 40 FHAB CCCc1nnc(SCc2nnc(-c3ccccc3OC)o2)n1CC 20034022 FISWLBSUQONUOO-UHFFFAOYSA-N 359.455 3.601 0 40 FHAB Cc1cc[n+](CCOCC[n+]2ccc(C)c3ccccc32)c2ccccc12 27987943 UCDXDZMLXJERQT-UHFFFAOYSA-N 358.485 3.902 0 40 FHAB O=C(O)CN1C(=O)S/C(=C/c2ccc(Sc3ccccc3)cc2)C1=O 409141442 JTVQGXQTUAXQJQ-XNTDXEJSSA-N 371.439 3.959 0 40 FHAB O=c1c2oc3ccccc3c2ncn1Cc1coc(-c2cccc(F)c2)n1 37171436 CIWOIGPBIXBPNX-UHFFFAOYSA-N 361.332 3.985 0 40 FHAB COc1ccc(-c2nc(NC(=O)c3cccnc3)sc2C)c(OC)c1 408836797 VQGXJAXUAMDFNV-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB COC(=O)C[C@@H](NC(=O)/C=C/c1ccc2ccccc2n1)c1cccc(C)c1 1535844886 AGMKXVHYRHYWGV-JNCYCUAHSA-N 374.440 3.977 0 40 FHAB Cc1[nH]nc2cc(NC(=O)COc3ccc(Br)cc3)ccc12 535819112 WYHRZRMHMQFKHY-UHFFFAOYSA-N 360.211 3.651 0 40 FHAB CC(=O)Oc1cc2c(s1)CCN([C@@H](C(=O)C1CC1)c1cccc(F)c1)C2 77292759 IMTFHRNDRHBYGI-LJQANCHMSA-N 373.449 3.891 0 40 FHAB in-vitro Cc1cc(C)cc(O[C@H](C)C(=O)Nc2noc(-c3ccc(F)cc3)n2)c1 32624284 KJKQHSAEXYZOLO-CYBMUJFWSA-N 355.369 3.899 0 40 FHAB Cc1cc(C)cc(-n2ncc3c2N=C(O)C[C@]32C(=O)Nc3ccccc32)c1 32100454 IPMYJQHHOFDLBO-OAQYLSRUSA-N 358.401 3.719 0 40 FHAB O=C(NC1CCN(Cc2ccccc2)CC1)[C@H](c1ccccc1)n1cccc1 70636904 RBNQQDVAWRLDIB-QHCPKHFHSA-N 373.500 3.858 0 40 FHAB COc1ccccc1NC(=O)CSCc1cc(=O)c2cccc(C)c2[nH]1 33063598 JYMGRCWPTONVPB-UHFFFAOYSA-N 368.458 3.717 0 40 FHAB O=C(COc1cccc2ccccc12)N1CCCN2c3ccccc3C[C@@H]2C1 565395780 VFLDJBMRDGCIRW-HXUWFJFHSA-N 372.468 3.882 0 40 FHAB O=C(O)CCCNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 72401041 WEPUJYGLOQBJOH-UHFFFAOYSA-N 352.365 3.636 0 40 FHAB COc1ccc(CCC(=O)NCCCN2c3ccccc3C[C@@H]2C)cc1C 225462090 SJKUWOARQOFOKY-SFHVURJKSA-N 366.505 3.894 0 40 FHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCOc1cccc(OC)c1 224471517 DDUBAAXTCMPJQQ-LJQANCHMSA-N 357.450 3.665 0 40 FHAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1 225676906 JHUNYLFHBVMANI-QGZVFWFLSA-N 370.468 3.558 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cc3c(cc2Cl)OCCO3)cc1 41126481 ZJIHXIVQQCEMOP-UHFFFAOYSA-N 361.781 3.540 0 40 FHAB O=C(NCCOc1ccccc1)N(Cc1ccsc1)CC(F)(F)F 75170395 PXQSFOOBTODCFJ-UHFFFAOYSA-N 358.385 3.901 0 40 FHAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C)c1C)c1ccc(OC)cc1 225676562 AAWRXGWMVZXPTL-QGZVFWFLSA-N 363.479 3.750 0 40 FHAB COc1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2)c(OC)c1 222615384 XONWSEHKSHWSDL-UHFFFAOYSA-N 353.353 3.552 0 40 FHAB COc1cccc(NC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 225760436 XGZBKTHABRWPGA-UHFFFAOYSA-N 365.389 3.862 0 40 FHAB CCCc1noc(-c2cc3n(n2)C[C@@H](c2ccc(OCC)cc2)OC3)n1 97086802 CRTXKNWCHXGKNC-KRWDZBQOSA-N 354.410 3.556 0 40 FHAB CCOC(=O)[C@H](C)Nc1ccc(C)cc1C(=O)N[C@@H](C)c1ccccc1 95951473 WCGWYXFYFPCELY-HOTGVXAUSA-N 354.450 3.850 0 40 FHAB COc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(C)cc3C)CC2)c1 243077174 IOOKMOSKPKMJFS-UHFFFAOYSA-N 366.461 3.803 0 40 FHAB CC(C)(C)C(=O)N1CC[C@H](Cc2ccc(-c3ccccc3C(=O)O)nc2)C1 257213892 CJNXIWKUVAVENV-MRXNPFEDSA-N 366.461 3.884 0 40 FHAB CC(C)(C)OC(=O)NC[C@H](CC(=O)O)c1ccc(Br)s1 685944156 SAYKDYYTMHAZHY-QMMMGPOBSA-N 364.261 3.594 0 40 FHAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CNC(=O)c1ccsc1 57559396 GVDIMONJADPDEY-MSOLQXFVSA-N 356.491 3.663 0 40 FHAB C[C@H]1Cc2cc(-c3csc(-c4ccoc4)n3)ccc2N1S(C)(=O)=O 78526973 SUIXLDYTPVHXFC-NSHDSACASA-N 360.460 3.781 0 40 FHAB CC1(C)[C@@H](CN)C[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 675045930 PECAGEGLVJAYHW-JLTOFOAXSA-N 350.462 3.899 0 40 FHAB O=C(CSc1nnc2c(n1)-c1cccc3cccc-2c13)NCc1ccco1 797008 ZALFXWWCRSDGDT-UHFFFAOYSA-N 374.425 3.674 0 40 FHAB COc1cc2c(cc1OC)/C(=C/C(=O)Nc1ccccc1C)NC(C)(C)C2 828672 QKFQBCVAOGXRMA-PDGQHHTCSA-N 366.461 3.916 0 40 FHAB biogenic COc1ccc(C(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1F 5191387 AFGYFTVVQMMJJI-UHFFFAOYSA-N 355.365 3.674 0 40 FHAB COc1ccc(OC)c(CC(=O)NCc2ccc(Cl)cc2Cl)c1 5243440 OMXSJZFNDJSQON-UHFFFAOYSA-N 354.233 3.870 0 40 FHAB CCCCCC(=O)N1CC[C@@H](CC(=O)NCc2cccnc2)[C@@H](CC)C1 5396629 BFDLEKBCLSJOMH-OALUTQOASA-N 359.514 3.543 0 40 FHAB biogenic,in-vitro CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@H]3C[C@@H]3C)cc2N1 12181359 BISQCRGCBIDFLI-CUZKYEQNSA-N 370.419 3.900 0 40 FHAB COc1ccc(NCc2cc3cc(OC(C)C)ccc3[nH]c2=O)c(OC)c1 13561593 CIULISJLYYAINI-UHFFFAOYSA-N 368.433 3.945 0 40 FHAB CN(C)C1(CNC(=O)c2ccccc2Br)CCCCCC1 14681138 NSFBJVIDVWZZHW-UHFFFAOYSA-N 353.304 3.834 0 40 FHAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cccc2c1CCCC2 15302346 QILAZZMMYDOGTE-UHFFFAOYSA-N 356.853 3.977 0 40 FHAB Cc1cccc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C2CCCC2)c1 18204157 CZZZQUIKWUTJGS-UHFFFAOYSA-N 361.445 3.817 0 40 FHAB CCN(C(=O)Cn1cc(C(=O)OC)c2ccccc21)c1ccc(F)cc1 19295956 WJAIVUWEVSATFG-UHFFFAOYSA-N 354.381 3.620 0 40 FHAB CC(C)Oc1cccc(CN2CCC[C@@H](c3nn(C)c4nccnc34)C2)c1 19450873 LOBIIJOYXGJJKQ-QGZVFWFLSA-N 365.481 3.530 0 40 FHAB CCCN1CCN(C(=O)c2ncoc2-c2ccccc2C(F)(F)F)CC1 19503397 MURATVDQXBLILV-UHFFFAOYSA-N 367.371 3.528 0 40 FHAB Cc1ccc(C(=O)N2CCC(Cn3ccnc3C)CC2)cc1N1CCCC1 19716198 SVWQFPKGEDLDKJ-UHFFFAOYSA-N 366.509 3.653 0 40 FHAB COc1cccc(NC(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1 35314069 MRKQYBZSTVVQIE-UHFFFAOYSA-N 371.412 3.717 0 40 FHAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc2c(c1)CCC2 6063714 IHUMFVJKTAJVLU-UHFFFAOYSA-N 353.462 3.873 0 40 FHAB CC(C)(C)c1ccc(SCCOc2ccc(S(N)(=O)=O)cc2)cc1 7023085 PJSXZQUDTPUMQW-UHFFFAOYSA-N 365.520 3.803 0 40 FHAB Cc1cnccc1O[C@H]1CCN(c2ncc(Br)cc2Cl)C1 1888922027 KSEFBNYMWHPVCY-LBPRGKRZSA-N 368.662 3.859 0 40 FHAB COc1ccc(CNC(=O)Cc2csc(Nc3ccccc3)n2)cc1 16850072 MLODRGOCKZDRQC-UHFFFAOYSA-N 353.447 3.754 0 40 FHAB Cc1ccc(C(=O)C2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)c(C)c1 40086181 QWNSBVMWZMCTBX-KRWDZBQOSA-N 356.510 3.645 0 40 FHAB COC(=O)Cc1csc(NC(=O)c2cc3c(s2)CCCCCC3)n1 31764936 RBVJDLCDHHOTRA-UHFFFAOYSA-N 364.492 3.831 0 40 FHAB Cc1ccc(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)cc1-n1cccc1 11492185 RKPGURXBQMWNLU-NRFANRHFSA-N 374.440 3.962 0 40 FHAB CC(C)n1ncc2cc(NS(=O)(=O)c3ccc4ccccc4c3)cnc21 32097938 SCQPBXAPUZXGRK-UHFFFAOYSA-N 366.446 3.966 0 40 FHAB COc1ccccc1NC(=O)COc1ccc(Br)c(C)c1 943236 KNQIIPYSESZSSF-UHFFFAOYSA-N 350.212 3.784 0 40 FHAB CCc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1324884 DAGPJPXXXUHNTN-UHFFFAOYSA-N 372.490 3.594 0 40 FHAB CCN(CC)CCNc1ncnc2c1cnn2-c1ccc(C)c(Cl)c1 20662128 DBYGOXQZGUGRCO-UHFFFAOYSA-N 358.877 3.531 0 40 FHAB O=C(CS[C@@H]1CCc2ccccc2N=C1O)Nc1ccc2c(c1)OCO2 11865830 BHVNZJZBPMTXKZ-QGZVFWFLSA-N 370.430 3.690 0 40 FHAB Cc1cccc(-c2nc(CSc3nnc(-c4ccncc4)o3)no2)c1 32324410 QANCCILCDOXUNW-UHFFFAOYSA-N 351.391 3.782 0 40 FHAB Cc1nn(CC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c2c1[C@H]1[C@@H](C2)C1(C)C 4027935 NQHRPUQJUPOLDQ-AFCCGETMSA-N 355.526 3.914 0 40 FHAB Cc1cc(C)cc(OCC(=O)N2CCCC[C@@H]2CCN2CCCCC2)c1 21170529 GAWKKSBVWSIBJP-HXUWFJFHSA-N 358.526 3.939 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1noc(-c2ccc(F)cc2)n1 32624297 BOHUDWFOPCDLGN-OAHLLOKOSA-N 359.332 3.811 0 40 FHAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2cccc(Br)c2)CCC[C@H]1C 102158443 QQEBKXADGXLDAT-XUJVJEKNSA-N 368.271 3.547 0 40 FHAB C[C@H](OC(=O)COc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1 6030054 BFZHTQRXSQNGAQ-HNNXBMFYSA-N 355.434 3.933 0 40 FHAB Cc1ccccc1-n1c(C)nnc1S[C@H](C)C(=O)N1CCCCCC1 7189073 GCFARLKPAGCXKC-OAHLLOKOSA-N 358.511 3.767 0 40 FHAB CC(C)OCCCNC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12 7604372 YLSKJYVLGCGFLO-UHFFFAOYSA-N 364.445 3.720 0 40 FHAB O=C(NCCC12CC3CC(CC(C3)C1)C2)[C@@H]1CC(=O)N(C2CCCC2)C1 69376799 QYXGLPWAMADQKB-DQYWGJDHSA-N 358.526 3.500 0 40 FHAB O=C(CCSc1ccc(C(=O)N2CCCC2)cn1)Nc1cccc(F)c1 32907212 QSSSGYWCOBALQE-UHFFFAOYSA-N 373.453 3.578 0 40 FHAB O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CN1CCc2ccccc2C1 23479695 MKYXFDGHTKUJQQ-UHFFFAOYSA-N 361.228 3.605 0 40 FHAB O=C(c1cccc2cccnc12)N1CCN(Cc2cccc(Cl)c2)CC1 23639668 SXIOLSPRJVAUNK-UHFFFAOYSA-N 365.864 3.846 0 40 FHAB CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3c(C)cccc3C)ccc21 12596864 CREFWFUTRRBFKY-HNNXBMFYSA-N 351.450 3.652 0 40 FHAB CSc1ccc(N2C[C@@H](C(=O)N3c4ccccc4C[C@@H]3C)CC2=O)cc1 24228080 NFCRTQMHQOQDOI-HOCLYGCPSA-N 366.486 3.739 0 40 FHAB CC(C)(C)NC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C 43204626 DBEPLOCGEIEOCV-IQWPGVQXSA-N 372.553 3.815 0 40 FHAB Cc1ccc(-n2cnnc2SCC(=O)Nc2cc(C)ccc2C)cc1 24923499 ZLTMIXSUYMCBLG-UHFFFAOYSA-N 352.463 3.923 0 40 FHAB O=C(NC1CC1)[C@H](Sc1nccc(C(F)(F)F)n1)c1ccccc1 24987735 CIRXTVXQTRMBDM-CYBMUJFWSA-N 353.369 3.607 0 40 FHAB Cc1ccc(NC(=O)c2nnc(CSc3nnc(C)s3)s2)cc1 24968987 KESOEDGGZBIZNP-UHFFFAOYSA-N 363.493 3.551 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccsc2)cc1 26311249 OKTKGLSVNYCZHW-CQSZACIVSA-N 352.525 3.629 0 40 FHAB O=C(CSCc1ccc(Br)cc1F)NCc1ccco1 57421635 HPNAVKXRTZPGEI-UHFFFAOYSA-N 358.232 3.731 0 40 FHAB Cc1cc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)nc(C(C)C)n1 12615926 JVGDFTMFZZNSBE-LBPRGKRZSA-N 359.451 3.756 0 40 FHAB CCOc1cccc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)c1 21124763 PSRMUKWVBXMROR-UHFFFAOYSA-N 365.418 3.504 0 40 FHAB CCOC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 58181177 NRZHETVNSJVVAM-JKSUJKDBSA-N 352.272 3.580 0 40 FHAB CCCS(=O)(=O)Nc1cccc(NC(=O)c2cccc(F)c2)c1C 58172431 HDWQECOOHHARQZ-UHFFFAOYSA-N 350.415 3.538 0 40 FHAB O=C(CN1CCc2ccccc21)Nc1ccnn1Cc1ccccc1Cl 58377756 PCOBLWXLFQSUPM-UHFFFAOYSA-N 366.852 3.586 0 40 FHAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2c(Cl)c3ccccc3n2C)n1 58406522 CXVQOSUSBWVZSJ-GFCCVEGCSA-N 358.873 3.711 0 40 FHAB CC(C)[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 58419456 GRECIFYPVYKRFI-XHDPSFHLSA-N 361.269 3.734 0 40 FHAB Cc1cnc(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)s1 11204835 AWAGAAQOIWEFIT-UHFFFAOYSA-N 365.462 3.836 0 40 FHAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCCCC2)c1 20452713 COKUSFQHKYYPOU-UHFFFAOYSA-N 358.891 3.554 0 40 FHAB COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2CC(C)C)o1 3493850 SENSWESYERGKEI-UHFFFAOYSA-N 372.446 3.724 0 40 FHAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccncc2)n1C 3516307 AXQCASUNXAVSSW-UHFFFAOYSA-N 368.462 3.771 0 40 FHAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccccc3C(=O)O)c12 12990908 VKQCAHXPBGLINT-UHFFFAOYSA-N 363.329 3.742 0 40 FHAB O=C(O)/C=C/c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 12971874 AFZDHUBWROYKID-ZZXKWVIFSA-N 372.229 3.892 0 40 FHAB O=C(c1ccc(F)cc1Cl)N1CCC(c2nnc3ccccn23)CC1 24326348 MEHRZPCEHGXFFO-UHFFFAOYSA-N 358.804 3.542 0 40 FHAB Cc1ccc([C@]2(CC(=O)NCCCN(C)C)CCO[C@H](C(C)C)C2)cc1 4084543 VPRGUMSCKKEJOK-RBBKRZOGSA-N 360.542 3.526 0 40 FHAB biogenic CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cc(C)ccc2C)C1 4385157 ZMCFIIRVXVUOAY-INIZCTEOSA-N 352.434 3.694 0 40 FHAB Cc1cccc(NC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 113966959 VUEQYJYDXPASLL-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB Cc1ccc(N2C(=O)C[C@@H](c3ccc(Cl)cc3)C3=C2COC3=O)cc1 5321889 KFABBLGQJYZUIH-INIZCTEOSA-N 353.805 3.980 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCOc1ccc(Cl)cc1 9227396 UVDGYTVUKZYIOK-UHFFFAOYSA-N 356.809 3.508 0 40 FHAB Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)c(F)c3)n2)cc1C 5401860 ATNRDPMQUHDYLH-UHFFFAOYSA-N 365.408 3.613 0 40 FHAB Cc1ccccc1NC(=O)CSc1nnc(-c2cccc(F)c2)n1C 4736273 LMDMPXDKYBYICZ-UHFFFAOYSA-N 356.426 3.660 0 40 FHAB O=S(=O)(N[C@@H]1CCCc2ccccc21)c1ccc(Br)s1 4783373 QWNVKCAESZRJNE-GFCCVEGCSA-N 372.309 3.867 0 40 FHAB CCc1cccc(CC)c1NC(=O)C1CCN(C(=O)c2ccco2)CC1 4998839 KBRQHENVJZHHCG-UHFFFAOYSA-N 354.450 3.895 0 40 FHAB Cc1ccccc1CNC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1 8935846 UXAVPXDHNSMWBP-UHFFFAOYSA-N 369.436 3.806 0 40 FHAB c1cncc(CN2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 306129716 IKVOQIJZPXQKLY-HXUWFJFHSA-N 370.460 3.566 0 40 FHAB C[C@H](OC(=O)C1=Cc2ccccc2OC1)c1nnc(-c2cccs2)o1 19356625 XBTBJTNFMMVSMB-NSHDSACASA-N 354.387 3.878 0 40 FHAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1cccc(Cl)c1Cl 7552570 XUFIXDLKOYUUDG-CQSZACIVSA-N 355.221 3.669 0 40 FHAB COc1ccc(CC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1 9054445 WHLFCQBGVVSFCF-UHFFFAOYSA-N 358.825 3.657 0 40 FHAB Cc1noc(C)c1CCC(=O)Nc1ccccc1C(=O)NC1CCCC1 7735263 GVXFJWFRQLWJQD-UHFFFAOYSA-N 355.438 3.535 0 40 FHAB Cc1nc(-c2ccc(CNC(=O)c3ccc4c(c3)OCO4)s2)cs1 7820603 REQLHIVJVICHSO-UHFFFAOYSA-N 358.444 3.839 0 40 FHAB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3OC)n2)cc1 8184590 QRFHDMUFPMZMRL-UHFFFAOYSA-N 368.462 3.774 0 40 FHAB Cn1cc(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)c2ccccc21 8132887 AMJYDOUCMHRJBV-UHFFFAOYSA-N 370.836 3.923 0 40 FHAB C[C@H](OC(=O)c1cc2ccccc2c(=O)[nH]1)C(=O)c1ccc(Cl)cc1 9313831 AVNWDFXWWLURBU-NSHDSACASA-N 355.777 3.610 0 40 FHAB CCCN1C(=O)N/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O 409237827 JVQHZLJEVKOLMI-GXDHUFHOSA-N 368.418 3.610 0 40 FHAB C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1CC=C(c2cccnc2)CC1 95454757 AVRJXPSWBLNBKT-AWEZNQCLSA-N 373.403 3.799 0 40 FHAB Cc1ccc(C(=O)N2CCC[C@@H]2C[C@@H](C)O)cc1NC(=O)c1ccccc1 95434732 FNAROCKPGXFBPE-VQIMIIECSA-N 366.461 3.623 0 40 FHAB CCSc1ccccc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 113958564 FVUWAPGJKLVHJH-UHFFFAOYSA-N 355.507 3.803 0 40 FHAB Cc1cc2ccccc2n1CC(=O)OCC(=O)N(C)C1CCC(C)CC1 25191355 QNFVUZPARULYQL-UHFFFAOYSA-N 356.466 3.530 0 40 FHAB COc1ccc([C@@H](C)NC(=O)c2ccc(N3CCCCC3=O)cc2)cc1F 25322904 NELDZABIABMQPK-CQSZACIVSA-N 370.424 3.842 0 40 FHAB C[C@@H](c1ccccc1)N(C1CC1)S(=O)(=O)CCc1ccc2c(c1)CCO2 510454050 HAZBOCUGVKZBAS-INIZCTEOSA-N 371.502 3.719 0 40 FHAB CCc1ccc2occ(C(=O)NCc3nccn3CC(F)(F)F)c2c1 510824062 AOHUWYBHELMULP-UHFFFAOYSA-N 351.328 3.684 0 40 FHAB COc1ccc(-c2cnc3n2C[C@@H]2CN(Cc4cccc(C)n4)C[C@@H]2C3)cc1 306144881 ZRJCNLGZPILAHR-OALUTQOASA-N 374.488 3.566 0 40 FHAB CC(=O)Nc1cccc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2C)c1 32417352 UZJSETALKSXISF-GFCCVEGCSA-N 366.870 3.646 0 40 FHAB O=C(O)c1ccccc1C(=O)Nc1cnn(Cc2ccc(F)cc2Cl)c1 32610604 WYQFHJHRTGTUCN-UHFFFAOYSA-N 373.771 3.674 0 40 FHAB CC(C)Cc1ccccc1CNC(=O)N[C@@H]1CCC[C@H](N2CCCC2=O)C1 528043166 LPXCINDCDONUQV-UXHICEINSA-N 371.525 3.618 0 40 FHAB C[C@@]1(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)Cc2ccccc2C(=O)O1 79181637 GGKPPALFXPTABP-YJBOKZPZSA-N 363.335 3.578 0 40 FHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@H]2c1ccc(SC)cc1 71282656 AMAKYKKPTRZQIX-AWEZNQCLSA-N 359.451 3.600 0 40 FHAB CSc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)cc2)cc1 30753547 FSOUNGNFXZIROD-UHFFFAOYSA-N 351.493 3.674 0 40 FHAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H]2COc3ccccc3O2)cc1 30863296 NWADOYHXWGLEBJ-PXNSSMCTSA-N 355.434 3.739 0 40 FHAB Cc1ccc(NC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)nc1 40047642 GKVKNKNADRNURQ-UHFFFAOYSA-N 352.463 3.743 0 40 FHAB Cc1ccc(NC(=O)c2cc3cc(N(C)S(C)(=O)=O)ccc3s2)cc1 46058006 BXAYFTPPRJRXSF-UHFFFAOYSA-N 374.487 3.858 0 40 FHAB C[C@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1cccc2ccccc12 40162023 VZVXRBJVRKUMDX-DOTOQJQBSA-N 350.462 3.808 0 40 FHAB C[C@@H](C(=O)Nc1nc2ccccc2s1)N1C(=O)CCCc2ccccc21 227168820 CGZCFPUHTIEKTK-ZDUSSCGKSA-N 365.458 3.993 0 40 FHAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC 222490514 CZFHPMREMYGSKS-LJQANCHMSA-N 372.896 3.826 0 40 FHAB CCOC(=O)c1cc(NC(=O)C(C)(C)OCC)ccc1O[C@H](C)CC 225813953 YYGSXMUEQNCRKQ-CYBMUJFWSA-N 351.443 3.794 0 40 FHAB COC[C@@H](C)NC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2C)c1 224284027 BLBWGYGTTAEEGE-MRXNPFEDSA-N 371.477 3.964 0 40 FHAB Cc1cc(C)c(C)c(OCC(=O)NCc2ccccc2CN2CCCC2)c1 224782217 NOPPMLNOIJFNIG-UHFFFAOYSA-N 366.505 3.903 0 40 FHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1C 223340914 BUSHQLUSQOVZNK-RBUKOAKNSA-N 366.490 3.803 0 40 FHAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2ccccc2CN2CCCC2)c1 224791181 KLGDUGMOKMOYAD-IBGZPJMESA-N 366.505 3.983 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)CCc1ccc2c(c1)OCO2 222649956 BAWZQPADFMAAPX-UHFFFAOYSA-N 368.433 3.517 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 224697253 HKWFBMUHWQONDC-LJQANCHMSA-N 366.505 3.789 0 40 FHAB CCN1CCC2(CC1)CN(C(=O)c1cccnc1)c1ccc(Cl)cc12 96161077 JYDOTHRJJLGLJY-UHFFFAOYSA-N 355.869 3.749 0 40 FHAB Cc1ccc(CN2CC[C@@H]3OCCC[C@]3(COCc3ccncc3)C2)o1 96040185 VMXWFGDFSHZRGR-LEWJYISDSA-N 356.466 3.571 0 40 FHAB Cc1cc(C)cc(N(CC(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)c1 243342270 LTOOBTPTKGWWQQ-UHFFFAOYSA-N 374.506 3.832 0 40 FHAB CN(C)Cc1cccc(-c2cccnc2C(=O)N(C)CCc2ccccn2)c1 257281116 ONRUWWZLZJFKKL-UHFFFAOYSA-N 374.488 3.520 0 40 FHAB CN(C)Cc1cc([C@H]2CC[C@H](CN(C)C(=O)c3ccccc3)CC2)nn1C 257279510 OGYMYLRGEOCTOV-IYARVYRRSA-N 368.525 3.528 0 40 FHAB C[C@@H](CNC(=O)NCCOc1ccc(C(C)(C)C)cc1)c1ccncc1 674137049 AYJONRHZIKLOFE-INIZCTEOSA-N 355.482 3.861 0 40 FHAB O[C@@H]1[C@@H](NCCc2cccc(F)c2)CCC[C@H]1Oc1ccc(Cl)cc1 585290500 XFKGOLHRBBENLN-XUVXKRRUSA-N 363.860 3.972 0 40 FHAB Cc1nc([C@H](NC(=O)Cc2ccc(C(F)(F)F)cc2)c2ccccc2)n[nH]1 57797027 PXMYQPAECUCSQU-QGZVFWFLSA-N 374.366 3.580 0 40 FHAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)C3CC3)cc2n1 13225458 DEHMTVRIOLJIHM-CYBMUJFWSA-N 352.360 3.520 0 40 FHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc2ccccc2cc1O 17973212 JOPSNSGGECJCMS-UHFFFAOYSA-N 362.429 3.873 0 40 FHAB C[C@H](OC(=O)c1ccccc1NCc1ccco1)C(=O)NC1CCCCC1 18259839 NADONZPZZSCENY-HNNXBMFYSA-N 370.449 3.886 0 40 FHAB Cc1cc(C)n(-c2cccc(C(=O)NC[C@@H](C)n3nc(C)c(C)c3C)c2)n1 19574741 CLNYEITZDBPBIJ-OAHLLOKOSA-N 365.481 3.602 0 40 FHAB CC[C@H](CN1CCCC1)n1cncc1-c1cnn(-c2ccc(F)cc2)c1 19719681 CQFNADHZVVWXTF-GOSISDBHSA-N 353.445 3.922 0 40 FHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc2c(s1)CCCCC2 9114692 CWRRMVNFEQARJQ-OAHLLOKOSA-N 357.475 3.929 0 40 FHAB COc1ccccc1NC(=O)[C@@H](C)Sc1nnc(C(C)C)n1C1CC1 9954641 OULKSEWYVHYZLY-GFCCVEGCSA-N 360.483 3.864 0 40 FHAB COc1ccc(-n2ccnc2SCc2nc(N)c3ccccc3n2)cc1 11395381 LXCDFRIMGJHDFZ-UHFFFAOYSA-N 363.446 3.699 0 40 FHAB O=C(Nc1ccccc1)c1ccc(COC(=O)[C@@H]2Cc3ccccc3O2)cc1 29897269 FBQNBKSOXIBAFS-NRFANRHFSA-N 373.408 3.986 0 40 FHAB CNc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(NC(C)(C)C)n1 970321 UESILJGLYUFPAO-UHFFFAOYSA-N 356.352 3.766 0 40 FHAB Cc1cc(C)cc(NC(=O)CSc2ccc(-c3cccnc3)nn2)c1 4391896 JNOZMOCYRBLSGW-UHFFFAOYSA-N 350.447 3.886 0 40 FHAB O=C(/C=C/c1ccccc1)N1CCN(c2nc3c(F)cccc3s2)CC1 4583504 VSESKNWIJQYWQZ-MDZDMXLPSA-N 367.449 3.797 0 40 FHAB O=C(Nc1cccc(Cl)c1)c1cccn(Cc2cccc(F)c2)c1=O 5268747 SRSJREOKAPQXHN-UHFFFAOYSA-N 356.784 3.941 0 40 FHAB O=C(NC[C@@H]1CN(c2ccc(Cl)c(Cl)c2)C(=O)O1)c1cccs1 9102030 PRLFXGJBDAIYAI-SNVBAGLBSA-N 371.245 3.810 0 40 FHAB O=S(=O)(Cc1ccc(F)cc1)NCC1(c2cccs2)CCCC1 13804602 LTZDMZRFZAXQFI-UHFFFAOYSA-N 353.484 3.819 0 40 FHAB CC(C)OC(=O)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)nc1 20404821 BUIVKZPLCMAXHI-UHFFFAOYSA-N 359.857 3.627 0 40 FHAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc2c(c1)OCO2 11524015 HNOWURWUGHCLKA-UHFFFAOYSA-N 367.430 3.878 0 40 FHAB Nc1cccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1 827836 QRVFDKCVLVAUQQ-LIKPIUCQSA-N 366.420 3.665 0 40 FHAB O=C(NC1CCCCC1)[C@@H](c1cccs1)N(C(=O)C(F)(F)F)C1CC1 1366375 BWNLPNYYSKHYSL-CQSZACIVSA-N 374.428 3.791 0 40 FHAB Cc1cc(NC(=O)COC(=O)c2sccc2C)ccc1Br 3314659 FEWLRRWJADBTSQ-UHFFFAOYSA-N 368.252 3.923 0 40 FHAB O=S(=O)(NCc1ccc(F)cc1)c1cc(C(F)(F)F)ccc1Cl 2615930 FKKZUCONJSAVNZ-UHFFFAOYSA-N 367.751 3.976 0 40 FHAB Cc1cc(OCCCC(=O)Nc2sccc2C(N)=O)ccc1Cl 2651468 SHWKQYQYFVSTRB-UHFFFAOYSA-N 352.843 3.607 0 40 FHAB CCCCc1ccc(-n2c(SCC(N)=O)nnc2-c2ccccc2)cc1 4215740 XPBQSSIPHOWYKH-UHFFFAOYSA-N 366.490 3.854 0 40 FHAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCCCC3)ccc2C)c1 6352423 YFBDACRNHBDLNA-UHFFFAOYSA-N 372.490 3.730 0 40 FHAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(N2CCOCC2)cc1 7504849 KLCUDEJYJUSJFF-UHFFFAOYSA-N 350.340 3.794 0 40 FHAB O=C1CCSc2cc3c(cc2N1)OCC(=O)N3Cc1ccc(Cl)cc1 8306398 RLGNTMSEKYBZMP-UHFFFAOYSA-N 374.849 3.700 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccc([S@](C)=O)cc1 21646059 QQYYKTMYKQNFIH-ZBSNKRKSSA-N 369.442 3.642 0 40 FHAB O=C(CCOc1ccc(Cl)cc1)Nc1cccc(CN2CCCC2=O)c1 46576484 KXLQTSJZIVFLHT-UHFFFAOYSA-N 372.852 3.870 0 40 FHAB CCCn1c(SCc2ncc(-c3cccc(Cl)c3)o2)n[nH]c1=O 8394363 IKNRGQACYRPSEZ-UHFFFAOYSA-N 350.831 3.582 0 40 FHAB Cc1cc2nc(C)c(CCC(=O)Nc3ccc4oc(C)nc4c3)c(C)n2n1 8369333 DQPWHKGZIWVPLO-UHFFFAOYSA-N 363.421 3.675 0 40 FHAB O=C(N=c1[nH]c2ccccc2[nH]1)c1cc(-c2ccccn2)nc2ccccc12 8395021 IRDATJUFUPRMPI-UHFFFAOYSA-N 365.396 3.847 0 40 FHAB COc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)O)cc1C 20141239 KWIJZMJKMKSWAH-UHFFFAOYSA-N 364.195 3.717 0 40 FHAB CC(=O)c1c(C)cc(C)c(CN2C(=O)CN(c3ccccc3)C2=O)c1C 47170398 PPDFFFUPBAIEEI-UHFFFAOYSA-N 350.418 3.783 0 40 FHAB CC(=O)c1cccc(S(=O)(=O)Oc2ccc(Oc3ccccn3)cc2)c1 23043362 WZALLGCGWUCZQE-UHFFFAOYSA-N 369.398 3.844 0 40 FHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N(C)[C@@H](C)c2ccc(C)s2)c1 54584677 IVDFXNVJZMMDOO-LBPRGKRZSA-N 373.478 3.807 0 40 FHAB CCc1ccccc1NC(=S)N1[C@H]2CCC[C@H]1CC(NC(=O)C1CC1)C2 100426924 QNTXXIYBZLAJEF-ROUUACIJSA-N 371.550 3.858 0 40 FHAB CCOc1ccc([C@H](C)NC(=O)c2ccc3c(O)[nH]c(=S)nc3c2)cc1 47932755 NGEPXGPBKJJNMB-NSHDSACASA-N 369.446 3.888 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(OC)cc1 20481394 SVUWBBISGGXPBO-CYBMUJFWSA-N 359.447 3.991 0 40 FHAB O=S(=O)(CCNc1ccc(Br)cc1)c1ccc(Cl)cc1 25784996 MUGBEHZGNUGZSD-UHFFFAOYSA-N 374.687 3.988 0 40 FHAB CN(CC(=O)N[C@@H]1CCCc2ccccc21)Cc1nc2ccccc2s1 57312640 JMOITGDFUADDFM-QGZVFWFLSA-N 365.502 3.922 0 40 FHAB Cc1cccc(CNC(=O)[C@H](NC(=O)c2cccs2)c2ccccc2)c1 26886603 BIWCSVSKURJLOK-LJQANCHMSA-N 364.470 3.844 0 40 FHAB COc1cccc(-c2nnc3sc(COc4cccc(C)c4)nn23)c1 10311688 CSNKYRPHPZGYDP-UHFFFAOYSA-N 352.419 3.749 0 40 FHAB CCSc1nc2nc3c(cc2c(=O)n1-c1ccccc1)COC(C)(C)C3 2292386 DMXRDQKETVMAIA-UHFFFAOYSA-N 367.474 3.744 0 40 FHAB Cc1cc(C)nc(-n2ncc3c2C[C@@H](c2ccc(Cl)cc2)CC3=O)n1 2225914 MOSBQDOADSLKOJ-CQSZACIVSA-N 352.825 3.845 0 40 FHAB CC1(C)CC[C@H](NC(=O)[C@@H]2CCCN(c3cnccn3)C2)c2ccccc21 58421798 IRUSHNQGEUFGBS-APWZRJJASA-N 364.493 3.622 0 40 FHAB O=C(c1ccc2[nH]cnc2c1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 36353611 NPHKSGWNHYOFOI-UHFFFAOYSA-N 350.809 3.896 0 40 FHAB CC[C@H](NC(=O)CN1C(=O)CCOc2ccccc21)c1cccc(Cl)c1 58690359 PJHHXHOTRYAHSS-INIZCTEOSA-N 372.852 3.723 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)cc1Cl 408593801 NNELQUCDDNVCOE-UHFFFAOYSA-N 371.842 3.557 0 40 FHAB CC(C)C[C@@H](NC(=O)CCn1cnc2sccc2c1=O)c1ccccc1 11237836 BLFVVTUFHOMLET-QGZVFWFLSA-N 369.490 3.752 0 40 FHAB O=C(c1ccco1)N1CCC[C@H](C(=O)N2CCC[C@H]2c2ccsc2)C1 48251652 XYCHXJMAHZOUOD-HOCLYGCPSA-N 358.463 3.557 0 40 FHAB Cc1cc([C@H]2CCCN2C(=O)Nc2cnc3c(cnn3C(C)C)c2)on1 48288264 WUONJHXFVTWOMB-OAHLLOKOSA-N 354.414 3.678 0 40 FHAB COC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 3411211 WYFUBUDPIIMLSM-UHFFFAOYSA-N 373.865 3.912 0 40 FHAB C[C@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1cc2ccccc2o1 12934528 VAIFFLDFBBXDIN-NHYWBVRUSA-N 352.365 3.875 0 40 FHAB Cc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCCN(c3ncccn3)C2)cc1C 63816567 DQNBYFQZKMRKIG-WOJBJXKFSA-N 364.493 3.674 0 40 FHAB Cc1nc(CN(C)C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)cs1 65516697 ITUOURDBPMOTNB-FUHWJXTLSA-N 359.495 3.761 0 40 FHAB O=C1C[C@H](c2cccc(F)c2)c2c(c(C(=O)O)cn2-c2cccc(F)c2)N1 66087445 ABSSGPYIXKQBOD-OAHLLOKOSA-N 368.339 3.928 0 40 FHAB C[C@H]1C[C@H](c2ccccc2)n2ncnc2N1C(=O)c1ccccc1Cl 4732678 MAGHZXGXWXWLRK-SUMWQHHRSA-N 352.825 3.960 0 40 FHAB CCc1ccc(-c2noc(CSc3nnc4n3CCCCC4)n2)cc1 7081559 OVHQZZNPZJEFRL-UHFFFAOYSA-N 355.467 3.909 0 40 FHAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C1CCCC1 15317247 BSHNSNPBRCDSNM-UHFFFAOYSA-N 362.779 3.946 0 40 FHAB Cc1ccc(NC(=O)CN(C)Cc2cc(Cl)cc3c2OCOC3)cc1 7490340 GJQFMQAKPPBABR-UHFFFAOYSA-N 360.841 3.585 0 40 FHAB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccccc1C(F)(F)F 7552506 TXNSCIAYEDDPHY-OAHLLOKOSA-N 368.355 3.771 0 40 FHAB Cc1ccc(N2C[C@@H](c3nnc(NC(=O)CC(C)C)s3)CC2=O)cc1C 9198352 NQWPCEUGSFMLOH-AWEZNQCLSA-N 372.494 3.660 0 40 FHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)COc1cccc(Cl)c1 7831576 NNZXIVPCOGPMLY-UHFFFAOYSA-N 355.825 3.563 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N(C)CC(=O)Nc1cccc(F)c1 8093685 VUIGYOAAJMFQIA-CQSZACIVSA-N 367.424 3.757 0 40 FHAB O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCC(Cc2ccccc2)CC1 8216242 AFJCMLYWQUHTOF-HXUWFJFHSA-N 362.473 3.521 0 40 FHAB COc1cccc([C@@H](NC(=O)Nc2cccc(Cl)c2)c2nccn2C)c1 9338082 CRQCGIPTWZHJRJ-QGZVFWFLSA-N 370.840 3.993 0 40 FHAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1ccccc1 9341825 UHSDNLAKOLEFNQ-UHFFFAOYSA-N 368.389 3.614 0 40 FHAB CC(C)(CNC(=O)c1ccc(NC(=O)c2ccco2)cc1)N1CCCCC1 9449920 FBQOHZAZITYXBV-UHFFFAOYSA-N 369.465 3.526 0 40 FHAB Cc1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1C1CC1 9593395 YSHQXONFXNLULO-UHFFFAOYSA-N 371.491 3.776 0 40 FHAB O=C(Nn1c(-c2ccco2)n[nH]c1=S)[C@@H]1C[C@H]1c1ccccc1Cl 9544621 BHFINRFVCYUIFX-WDEREUQCSA-N 360.826 3.728 0 40 FHAB CC(C)(C)c1ccc(CNC(=O)C(=O)Nc2cnc3ccccc3c2)cc1 71845367 HSHLLZWHHXIKPY-UHFFFAOYSA-N 361.445 3.787 0 40 FHAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cccc(Cl)c1-n1cccn1 84678420 XRLMBXKIIWZWKT-KPZWWZAWSA-N 369.808 3.693 0 40 FHAB COc1ccccc1[C@H](C)CC(=O)NCC1([C@@H](O)c2ccccc2)CC1 84636758 SPUCERKFUMNXPH-IERDGZPVSA-N 353.462 3.819 0 40 FHAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cccc(Cl)c1-n1cccn1 84678425 XRLMBXKIIWZWKT-XIKOKIGWSA-N 369.808 3.693 0 40 FHAB C[C@@H](OC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)[C@H]1CCOC1 89239883 LGGODUKHCWIDKT-MNOVXSKESA-N 355.221 3.761 0 40 FHAB COc1ccc([C@@H](O)[C@@H](C)Nc2nccc(OCc3ccccc3)n2)cc1 89634523 PWWLMVGBDLSMSP-QRWLVFNGSA-N 365.433 3.598 0 40 FHAB c1ccc(CN2C[C@]3(CCN(Cc4ccccn4)C3)c3ncccc32)cc1 306136812 QEAYMPSBBAERBQ-HSZRJFAPSA-N 356.473 3.641 0 40 FHAB O=C(c1ccc(F)cc1)N1CCCN(c2nc3ccccc3s2)CC1 32776845 CKROQPFJDKPOGK-UHFFFAOYSA-N 355.438 3.788 0 40 FHAB C=Cc1ccc(Cn2nc(-c3cn(C)nc3C)cc2-c2cn(C)nc2C)cc1 36611634 PUXLAVUMCVFBHL-UHFFFAOYSA-N 372.476 3.992 0 40 FHAB N[C@H]1C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1 72227312 UEDMXCGMYMFLHW-ZIAGYGMSSA-N 351.631 3.518 0 40 FHAB O=C(CCCOc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 75245269 YHXXDTYDAUTBGY-YRNVUSSQSA-N 364.489 3.703 0 40 FHAB O=C(NCC1CCN(c2nc3ccccc3o2)CC1)Oc1ccccc1 70932023 VZCYETXZRDSDHV-UHFFFAOYSA-N 351.406 3.833 0 40 FHAB COc1ccc(OC)c(NC(=O)Cc2cccc(Br)c2)c1 72063996 XUUWWPJGWYALIL-UHFFFAOYSA-N 350.212 3.648 0 40 FHAB Cc1cc(N2C[C@@H](C)C[C@H](C)C2)nc(NC(=S)NCc2ccc(C)o2)n1 225916133 JCSRMRFXEJEIPQ-STQMWFEESA-N 373.526 3.655 0 40 FHAB CNc1nc(-c2ccc(OC)c(NC(=O)COc3ccccc3)c2)cs1 226092128 WSYDYWVJKLXSMC-UHFFFAOYSA-N 369.446 3.878 0 40 FHAB CC[C@@H](C)Oc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1C(=O)OC 225783397 PCHQQSYWUVIDTA-MRVPVSSYSA-N 368.644 3.959 0 40 FHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C 222575522 GKRBLSVBCXYQLZ-INIZCTEOSA-N 372.896 3.663 0 40 FHAB COc1cccc(OCc2cc(C(=O)NCc3ccco3)ccc2OC)c1 224250921 VOZRXSLMHWPYGC-UHFFFAOYSA-N 367.401 3.806 0 40 FHAB O=C(c1ccc2c(c1)OCO2)N(CCc1cccs1)Cc1cccnc1 75154741 RGXVCDLFKBXVCV-UHFFFAOYSA-N 366.442 3.757 0 40 FHAB Cc1ccc(CN2CCC(C(=O)NCCOCc3ccccc3)CC2)cc1 224531052 UFAHRRQCDQGOCI-UHFFFAOYSA-N 366.505 3.540 0 40 FHAB CC[C@@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224027441 VQTIMXQROUFRPV-GFCCVEGCSA-N 366.870 3.669 0 40 FHAB COc1ccc(Cl)c(NC(=O)[C@H]2CC(O)=Nc3nc4ccccc4n32)c1 40266256 QPIYXWGOGGIXOH-OAHLLOKOSA-N 370.796 3.870 0 40 FHAB O=C(O)[C@H]1CC(=O)N(c2cccc(-c3nc4cc(Cl)ccc4o3)c2)C1 45887094 UUURJPPZUVYYTF-NSHDSACASA-N 356.765 3.586 0 40 FHAB O=C(Nc1ccc(Br)cc1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 80345134 RCGYBZXQRRSJRW-HUUCEWRRSA-N 374.234 3.963 0 40 FHAB Cc1cccnc1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 49550989 MJFCNXJYZKUOQF-LLVKDONJSA-N 364.232 3.688 0 40 FHAB CO[C@H](CNC(=O)c1ccc2nsnc2c1)c1ccc(Cl)s1 225702208 DJSGJURCUXLDII-LLVKDONJSA-N 353.856 3.524 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C 224224339 HDNVAPAXACGCAV-NRFANRHFSA-N 366.505 3.789 0 40 FHAB Fc1ccc(CN2CCOC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)cc1 96296195 WRRZIRPNIRYDDT-IBGZPJMESA-N 355.388 3.928 0 40 FHAB biogenic,in-vitro COc1cccc(CN2CCC3(CC2)CCN(Cc2cccnc2)C3)c1 96157603 PQQPAISEXYVAPQ-UHFFFAOYSA-N 351.494 3.578 0 40 FHAB Cc1cc(CC[C@H]2CCCN2C(=O)c2cc(CC(C)C)nn2C)ccn1 257335070 YIOFISGBRQVRBW-LJQANCHMSA-N 354.498 3.559 0 40 FHAB Cc1ncc(CN2CCC[C@@H](c3ccc(-c4c(C)noc4C)cn3)C2)cn1 257315931 VDILITZBAZYYAD-LJQANCHMSA-N 363.465 3.831 0 40 FHAB Cc1ccc(CN2CCC(c3ccnc(Nc4cnccn4)c3)CC2)cn1 257317710 VKVQWHMJNOOOPA-UHFFFAOYSA-N 360.465 3.698 0 40 FHAB O=C(O)c1nn(-c2ccccc2Cl)nc1N1CC[C@@H](c2ccccc2)C1 256048018 QCZYBOYOLMHSIC-CQSZACIVSA-N 368.824 3.613 0 40 FHAB CN(C)c1cccc(C(=O)NC[C@H](O)c2ccc(-c3cccs3)cc2)c1 1775976973 FJTPHLMNKZNXGM-IBGZPJMESA-N 366.486 3.945 0 40 FHAB CO[C@@](C)(CNS(=O)(=O)c1cc(C)c(C)cc1C)c1ccccc1F 96123579 RDJUZQQQEGJACD-IBGZPJMESA-N 365.470 3.591 0 40 FHAB Cc1nc2ccnn2c(C)c1CCC(=O)N1CCC[C@@H]1c1cccc(F)c1 55865164 WNEJCZXHRSHVQU-LJQANCHMSA-N 366.440 3.782 0 40 FHAB O=C(NCCn1ccc(C(F)(F)F)n1)C1(c2cccs2)CCCC1 96098992 NKJQAIBOIHANKD-UHFFFAOYSA-N 357.401 3.592 0 40 FHAB CC1CCN(CCNC(=O)c2cc(Br)ccc2Cl)CC1 40108062 NTRBASBQXSAKKK-UHFFFAOYSA-N 359.695 3.564 0 40 FHAB COC(=O)C1=Nc2c(C)nn(-c3ccccc3)c2N=C(c2ccccc2)C1 5940514 UWRABIHLAXIDEG-UHFFFAOYSA-N 358.401 3.951 0 40 FHAB CC(C)N1CCC[C@@H](CNC(=O)CSc2nccc3ccccc23)C1 12148561 NOHCKYNWPQTKGP-INIZCTEOSA-N 357.523 3.564 0 40 FHAB Cc1cc(NC(=O)CN(C)Cc2ccccc2C)n(-c2ccc(F)cc2)n1 12764277 BSCYYCCABBZCGB-UHFFFAOYSA-N 366.440 3.699 0 40 FHAB CCn1c(S[C@H](C)C(=O)Nc2ccc(OC)cc2)nnc1-c1ccco1 12843491 FRVWWWRFUWHQAQ-GFCCVEGCSA-N 372.450 3.686 0 40 FHAB COc1ccc(C(=O)O)c(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 13084072 DROMIQNUZVNMQO-UHFFFAOYSA-N 370.188 3.718 0 40 FHAB CC(C)(C)CN1CC[C@@H](c2ccc3c(NCc4ccccn4)n[nH]c3n2)C1 19704998 AFYDLGBCJAQTIG-OAHLLOKOSA-N 364.497 3.800 0 40 FHAB COCC(=O)N1CCC(c2cc(Cc3ccc(C)cc3)cc(C)n2)CC1 19691629 VINSQSLTXATUAY-UHFFFAOYSA-N 352.478 3.642 0 40 FHAB Cc1ccc2c(c1)cc(C(=O)N1CCC[C@@]1(C)C(=O)NC1CCCC1)n2C 19746528 DHXLEJGVIWLGLN-QFIPXVFZSA-N 367.493 3.540 0 40 FHAB C[C@@H]1CCCCN1C(=O)CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O 8221923 LXRLDENFUWIRKM-QHQWOQPRSA-N 370.474 3.680 0 40 FHAB COc1ccc([C@H](NC(=O)NCc2ccc(Cl)s2)C2CC2)cn1 527650495 AWCLTFIUYJICED-OAHLLOKOSA-N 351.859 3.756 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 12133371 SDRUVCDVPHFZQB-UHFFFAOYSA-N 366.461 3.911 0 40 FHAB C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2Cl)o1 2720383 VAOZYMQTAMJNQK-NSHDSACASA-N 351.859 3.883 0 40 FHAB Cc1cc2cc(CCNC(=O)c3ccccc3Cl)c(=O)[nH]c2cc1C 3911648 YPNWPGTZOLQCQA-UHFFFAOYSA-N 354.837 3.771 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CC(=O)N(c2ccccc2)C1 5123157 RRFSJHYWJLTKKW-AWEZNQCLSA-N 363.339 3.632 0 40 FHAB COc1ccc(OC)c(-c2ccc(=O)n(Cc3cc(C)ccc3C)n2)c1 5409582 HSHKITFOPSOGQB-UHFFFAOYSA-N 350.418 3.593 0 40 FHAB COC(=O)c1ccc(NC(=O)Cc2csc(Nc3ccccc3)n2)cc1 16850023 WKVQZRWXBQHXJM-UHFFFAOYSA-N 367.430 3.855 0 40 FHAB O=C(Nc1ccccc1Cc1nc(C2CC2)no1)c1noc2c1CCCC2 206669159 ITIOTCWSLLRZGC-UHFFFAOYSA-N 364.405 3.657 0 40 FHAB Cc1nc(-n2nnc(C(=O)Nc3cccc(Cl)c3C)c2C)sc1C 49032497 YBMLUIDPANIMNV-UHFFFAOYSA-N 361.858 3.863 0 40 FHAB O=C(O)CSc1nc2ccccc2c(=O)n1-c1cccc2ccccc12 5519222 XOVJIEORBKSBQY-UHFFFAOYSA-N 362.410 3.716 0 40 FHAB Nc1ccc(S[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 103715996 YTNHRAXNHNSPCJ-CQSZACIVSA-N 367.257 4.000 0 40 FHAB CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1 11708893 SSTUQSLGPORMAL-CVEARBPZSA-N 355.482 3.829 0 40 FHAB CC(=O)Nc1cccc(NC(=O)c2ccc(OCc3cccnc3)cc2)c1 32034880 SUGOVTGKPQCWHI-UHFFFAOYSA-N 361.401 3.871 0 40 FHAB COC(=O)c1cccc2c[n+]3c(cc12)-c1[nH]c2cc(OC)ccc2c1CC3 1702574 AOYRRECTYMVUTP-UHFFFAOYSA-O 359.405 3.627 0 40 FHAB Cc1ccc(S(=O)(=O)NC(=O)N(Cc2ccccc2)C(C)(C)C)cc1 1739172 RJQPKQYXEUGSEW-UHFFFAOYSA-N 360.479 3.694 0 40 FHAB CCc1ccc(NC(=O)COC(=O)c2cccc(Br)c2)cc1 1987228 PGLOQJOUFZIKNK-UHFFFAOYSA-N 362.223 3.807 0 40 FHAB CCO[C@H](C)C(=O)N(CCN(CC)CC)c1cccc(Br)c1 75358115 QSQZLINQMKBSLZ-CQSZACIVSA-N 371.319 3.549 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@H]2CC(O)=Nc3c(-c4ccccc4)cnn32)cc1 20715316 NIAMDUMJQUQLGK-GOSISDBHSA-N 374.400 3.924 0 40 FHAB Cn1c(=O)c2ccccc2n2c(SCc3ccccc3Cl)nnc12 16320685 MGTZCKZKRFJARG-UHFFFAOYSA-N 356.838 3.527 0 40 FHAB CC(C)[C@@H](OC(=O)c1cc2sccc2n1C)C(=O)NC1CCCCC1 4967026 AXPOOIDYCGKLKH-QGZVFWFLSA-N 362.495 3.870 0 40 FHAB CC(=O)NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 6304203 GTYQYMREXJXERR-UHFFFAOYSA-N 353.403 3.518 0 40 FHAB CCCCn1nnnc1CSc1nnc(Nc2ccc(C)cc2)s1 6830447 PYSIQVWSQJCLCV-UHFFFAOYSA-N 361.500 3.669 0 40 FHAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C 6914030 CERJIRWGTNLURY-UHFFFAOYSA-N 370.453 3.914 0 40 FHAB CC(C)[C@H](C)Nc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl 21673613 SRGAENBOAKHSDR-VIFPVBQESA-N 360.767 3.756 0 40 FHAB CNCCCNCc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 8377055 GFXBCLLDXJSGOM-UHFFFAOYSA-N 366.864 3.766 0 40 FHAB Cc1ccc(N(CCCC(=O)Nc2c(C)cccc2C)S(C)(=O)=O)cc1 8499017 XMFKJVSFLRKOGJ-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB CN(C)[C@H](CNC(=O)c1cc(F)cc(Br)c1)c1ccsc1 32930973 LYDMUWHIZMRHQD-CQSZACIVSA-N 371.275 3.682 0 40 FHAB CN(C)C1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 72027692 IFRPMOKVGVPQTC-UHFFFAOYSA-N 355.463 3.723 0 40 FHAB CO[C@@H](C)c1noc(CN(C)C(=O)C2(c3cccs3)CCCCC2)n1 81384563 CQBWEFKGQFUXBD-ZDUSSCGKSA-N 363.483 3.699 0 40 FHAB Cc1cc(C)c(NC(=O)CNc2ccccc2C(=O)NC2CC2)c(Cl)c1 10758941 AGUZDIQYXIISSG-UHFFFAOYSA-N 371.868 3.900 0 40 FHAB C[C@H](NS(=O)(=O)c1cccc(F)c1)c1ccccc1Br 33047868 DIGBCVAFRKWAAY-JTQLQIEISA-N 358.232 3.628 0 40 FHAB O=C(OCc1ccccn1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 37108806 OVRGVBQPULOXNP-HXUWFJFHSA-N 359.381 3.893 0 40 FHAB COC(=O)c1cnn2c1N[C@@H](c1ccc(Cl)cc1)C[C@@H]2C(F)(F)F 2781061 NSLNNVKGBGTXHE-VXGBXAGGSA-N 359.735 3.983 0 40 FHAB O=C(Nc1ccccc1Br)c1cc2ccc(O)cc2oc1=O 845992 YQBGALNVHABPAQ-UHFFFAOYSA-N 360.163 3.513 0 40 FHAB COC(=O)c1c(NC(=O)c2cccnc2Cl)sc2c1CCCC2 2748685 DFTDCVJTHUVWON-UHFFFAOYSA-N 350.827 3.714 0 40 FHAB Cc1ccc([C@H]2SC[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1 2758839 MTLFXXMQWHBSAV-DOTOQJQBSA-N 361.850 3.989 0 40 FHAB CCOc1ccccc1C(=O)Nc1ccc(NC(=O)c2cnoc2C)cc1 54270398 RYYTZLYLSINOKN-UHFFFAOYSA-N 365.389 3.886 0 40 FHAB Oc1cccc(Nc2ncnc3ccc(I)cc23)c1 955113 QNINGIIDMCWVGD-UHFFFAOYSA-N 363.158 3.684 0 40 FHAB Cc1cc(=O)c(C(=O)N[C@H]2CCCC[C@H]2C)nn1-c1ccccc1Cl 23325015 FAXVNTHMQBDEIA-DOMZBBRYSA-N 359.857 3.503 0 40 FHAB COc1cccc(/C=C/C(=O)N2CCc3sccc3C2)c1OC(F)F 22328896 XGLYCMDUMYPFOP-AATRIKPKSA-N 365.401 3.956 0 40 FHAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)n1 27970386 VOSMAZXUVOXKAA-UHFFFAOYSA-N 363.417 3.572 0 40 FHAB COc1cccc(CN(C)Cc2nc3cc(Cl)ccc3n2C)c1OC 43272990 ATRUTOPXJGPMPH-UHFFFAOYSA-N 359.857 3.876 0 40 FHAB O=C(CC1=CCCCC1)N1CCC(c2nc(-c3ccccn3)no2)CC1 106645749 PIGTZCGNYODYGQ-UHFFFAOYSA-N 352.438 3.728 0 40 FHAB C[C@H](NC(=O)CSc1nccc(C(F)(F)F)n1)[C@@H]1C[C@H]2CC[C@H]1C2 106859396 MKESMYDCRFRKBI-BJDJZHNGSA-N 359.417 3.528 0 40 FHAB Cc1ccc([C@@H](C)N(C)C(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)s1 56092591 QEZFPYVZVHOJIK-CJNGLKHVSA-N 360.454 3.768 0 40 FHAB Cc1[nH]c2ccc(C(=O)NC[C@H](C)N3CCc4ccccc4C3)cc2c1C 25630329 VNAQAMBMSSVCRJ-HNNXBMFYSA-N 361.489 3.961 0 40 FHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C2 107325029 DCTHVLSDKDXVPO-YEWDVWPNSA-N 371.449 3.628 0 40 FHAB COc1cc(/C=C/C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc(OC)c1OC 107450080 MMMFYPLHQSTVKB-KUUVYXPYSA-N 359.466 3.667 0 40 FHAB Cc1noc(C)c1CN(C)C(=O)C1(c2ccc(Br)cc2)CC1 47643371 UDOIOLQWXYCJGX-UHFFFAOYSA-N 363.255 3.744 0 40 FHAB Cc1ccsc1CNC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 26176700 RCTWLWKXTSTLER-CQSZACIVSA-N 355.467 3.540 0 40 FHAB O=C(CCc1nnc(-c2ccccc2)o1)Nc1nc(-c2ccc[nH]2)cs1 12599761 YFNXIGQIWDDJCC-UHFFFAOYSA-N 365.418 3.760 0 40 FHAB O=C(CN1CCN(c2ccccc2F)CC1)C12CC3CC(CC(C3)C1)C2 58160702 FVPZRROFGVUJKW-UHFFFAOYSA-N 356.485 3.733 0 40 FHAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CCC1)N1CCc2ccccc21 10213176 UKJCIQRFECRFNX-UHFFFAOYSA-N 369.848 3.894 0 40 FHAB CSCc1nc2ccccc2n1CC(=O)Nc1ccc2nc(C)oc2c1 58377954 GPHXALHFEJBZSR-UHFFFAOYSA-N 366.446 3.988 0 40 FHAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O 12593128 IBTCYRDSBHYIHQ-QFIPXVFZSA-N 374.396 3.536 0 40 FHAB CCn1ccc2cc(NC(=O)COc3ccc4c(c3)CCC(=O)N4)ccc21 58420189 BJCNNDLWMURFGU-UHFFFAOYSA-N 363.417 3.563 0 40 FHAB Cc1cccc(C)c1OCC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10545273 KTIONEQWPKLNRQ-KRWDZBQOSA-N 363.461 3.965 0 40 FHAB CCn1c(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)nc2ccccc21 10650968 ZLMDALFHJKWKDS-NSHDSACASA-N 366.446 3.741 0 40 FHAB O=C(NCc1ccc(-n2cncn2)cc1)C1(c2cccc(Cl)c2)CCC1 36393886 XROZIYYYCOEIDL-UHFFFAOYSA-N 366.852 3.659 0 40 FHAB COc1cc(SC)ccc1C(=O)NCc1cccc(NC(=O)C2CC2)c1 10764556 VNGTZTLVSKPZFE-UHFFFAOYSA-N 370.474 3.696 0 40 FHAB O=C(c1cnn(Cc2ccccc2Cl)c1)N1CCc2sccc2C1 10924541 DRDGATFHAMWHDD-UHFFFAOYSA-N 357.866 3.845 0 40 FHAB CCCCN(C)C(=O)c1cc(-c2ccc3c(c2)OCO3)nc2onc(C)c12 36618343 OVYNCUYECVJZIL-UHFFFAOYSA-N 367.405 3.799 0 40 FHAB Cc1ccc(CNC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1 12738096 QISLVDFFRDMYRW-UHFFFAOYSA-N 365.477 3.621 0 40 FHAB CC(=O)N[C@H](C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1)C(C)C 12755949 IHMYDGVHUXIQJY-SFHVURJKSA-N 371.506 3.788 0 40 FHAB O=S(=O)(CCN1CCC[C@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 48299632 LHYRPVNGEKXGCO-SFHVURJKSA-N 365.882 3.656 0 40 FHAB CCCn1c(=O)n(CCC(=O)NCc2ccccc2Cl)c2ccccc21 12855635 ZPTHJIWJOGXMOE-UHFFFAOYSA-N 371.868 3.573 0 40 FHAB COc1ccccc1NC(=O)CSc1nnc(-c2csc(C)c2)n1C 17076661 CCDIBFMQICCJBB-UHFFFAOYSA-N 374.491 3.591 0 40 FHAB CCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1OCC 4071063 ZJPHPJNHDDYABW-GOSISDBHSA-N 360.454 3.837 0 40 FHAB Cc1ccc(NC(=O)c2ccc(Cn3nc(C(F)(F)F)cc3C)o2)nc1 27934904 KHHIWHQZDTZWDT-UHFFFAOYSA-N 364.327 3.807 0 40 FHAB C[C@H](C(=O)N[C@@H]1CCc2ccccc21)n1c(S)nnc1-c1cccs1 64335479 ATJQRRXKLPWLHR-BXUZGUMPSA-N 370.503 3.660 0 40 FHAB O=C(Nc1ccc2c(c1)nc1n2CCN(C2CCCC2)C1)c1ccco1 13689934 QLHMKUXBIZNFPC-UHFFFAOYSA-N 350.422 3.640 0 40 FHAB COc1cc(OC)c(OC)cc1CNC(=O)c1ccc2c(c1)CCCC2 8403474 DEXYCJLCQGRHON-UHFFFAOYSA-N 355.434 3.521 0 40 FHAB Cn1ncc(NCCSCc2cccc3ccccc23)c(Cl)c1=O 64931166 FMUAHUJLVGKWQO-UHFFFAOYSA-N 359.882 3.932 0 40 FHAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)c(F)c1 6113862 LMRJTOBRLBABGM-JTQLQIEISA-N 351.761 3.672 0 40 FHAB O=C(O)[C@@H]1CS[C@@H](c2ccc(Sc3nc4ccccc4s3)o2)N1 408994540 ZOWWNPGSLOWSRD-ZANVPECISA-N 364.473 3.829 0 40 FHAB Nc1cc(N)nc(SCCCCOc2ccccc2C(F)(F)F)n1 65276990 RXQFNZLWBPDVEF-UHFFFAOYSA-N 358.389 3.611 0 40 FHAB CSc1nnc(SCC(=O)NCC23CC4CC(CC(C4)C2)C3)s1 5211508 UKKJOKIOQUXNHK-UHFFFAOYSA-N 369.581 3.685 0 40 FHAB O=C([C@H]1CCCO1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 13985920 LGOZATHWCMDFII-CQSZACIVSA-N 350.871 3.835 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)NCc2ccccc2CN2CCCC2)c1 24189394 ZFNNCDNBHXWGHR-GOSISDBHSA-N 352.478 3.675 0 40 FHAB COCc1c(C(=O)Nc2cc(OC)c(OC)c(OC)c2)oc2ccccc12 5577442 FLWGVJDJXDYQLB-UHFFFAOYSA-N 371.389 3.857 0 40 FHAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccccc1Oc1ccccc1 6608395 SAELSCIJFZIKAI-UHFFFAOYSA-N 371.396 3.828 0 40 FHAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCN(c2ccccn2)CC1 5649140 LQAGXOCTMREKOO-FNORWQNLSA-N 362.260 3.750 0 40 FHAB C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccn1 8747154 GSHKVNMDUWTAGZ-INIZCTEOSA-N 369.428 3.820 0 40 FHAB CCOc1ccccc1CNC(=O)c1n[nH]nc1Nc1ccc(Cl)cc1 67283623 SQDRWTRNUSQQCM-UHFFFAOYSA-N 371.828 3.530 0 40 FHAB CNC(=O)NC(=O)CNc1cc(Cl)ccc1Oc1ccc(Cl)cc1 15322983 GVRKMKCOJCGPJS-UHFFFAOYSA-N 368.220 3.653 0 40 FHAB C[C@H](NC(=O)CSc1nc2ncc(Cl)cc2[nH]1)c1cccs1 9114100 BALCKDFMBVVLGF-QMMMGPOBSA-N 352.872 3.642 0 40 FHAB COc1cccc(/C=C(\Cl)c2nc3cc(OC)c(OC)cc3c(=O)[nH]2)c1 9497608 ITLDNLPGGZEPGW-ZSOIEALJSA-N 372.808 3.686 0 40 FHAB O=C1Nc2ccccc2[C@]12CC(O)=Nc1c2cnn1-c1cccc(Cl)c1 20736718 BOEKXGJKICZZHG-IBGZPJMESA-N 364.792 3.756 0 40 FHAB Cn1ccnc1[C@@H](NCCc1cn2ccccc2n1)c1ccccc1Cl 97236450 ZXAWHYPVPYIQSY-IBGZPJMESA-N 365.868 3.643 0 40 FHAB O=C(NCc1cccnc1OC1CCCC1)[C@@H]1CSc2ccccc2O1 95392998 AWHDJZVNAGAWTO-KRWDZBQOSA-N 370.474 3.573 0 40 FHAB COCc1nc(N(C)CC(C)(C)O)c2c(-c3ccccc3)csc2n1 78727719 MPWXWJUCBITFJF-UHFFFAOYSA-N 357.479 3.712 0 40 FHAB O=C(O)c1cccc(Cc2nc3ccc(-c4ccccc4)cc3c(=O)[nH]2)c1 95957758 GKGREBPCRBPCJE-UHFFFAOYSA-N 356.381 3.879 0 40 FHAB CC(C)c1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)n1C1CC1 9954655 KKBFHRUEKIBWSB-SNVBAGLBSA-N 365.890 3.904 0 40 FHAB COc1ccc2c(COc3ccc4c(C)cc(=O)oc4c3)cc(=O)oc2c1 89568506 AWPAFFGAFKUBRS-UHFFFAOYSA-N 364.353 3.795 0 40 FHAB C[C@@H]1CCN(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)[C@H]2CCCC[C@@H]21 75103499 MDPFPBANCDXYTR-KYJSFNMBSA-N 363.465 3.514 0 40 FHAB Cc1cccnc1Nc1cccc([C@H]2CCCN2Cc2cn(C)nc2C)n1 72375348 PGUSQXUEUACNAT-LJQANCHMSA-N 362.481 3.908 0 40 FHAB O=C(Nc1cc(Cl)ccc1OCC1CCC1)c1ccc2nnc(O)n2c1 530343138 QIRDCAZZTJBQPW-UHFFFAOYSA-N 372.812 3.520 0 40 FHAB CCOc1ncccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 72211877 WJOFQRCLDYBKOA-SFHVURJKSA-N 360.479 3.705 0 40 FHAB CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(F)cc1 71980416 SXOIZDMNIPAXCJ-CZDRUDQFSA-N 363.429 3.684 0 40 FHAB CSc1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c1 30848861 FDMCKFIPJSQCKJ-UHFFFAOYSA-N 370.883 3.686 0 40 FHAB CCN(CC)[C@@H](CNC(=O)CCC(=O)c1cccs1)c1ccsc1 31987844 AXCJDBCPRGUKRO-HNNXBMFYSA-N 364.536 3.972 0 40 FHAB CCc1ccccc1O[C@@H](C)C(=O)NCCCN1CCc2ccccc21 216320248 SNQVUMZWDMFNTE-KRWDZBQOSA-N 352.478 3.585 0 40 FHAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3cccnc3Cl)c12 36617002 NNTSWFUFCQFSPJ-UHFFFAOYSA-N 367.796 3.837 0 40 FHAB Cc1cc(N2CCCCC2)ncc1C(=O)CCCNC(=O)OC(C)(C)C 72219204 DZYWWRAVPCLRRC-UHFFFAOYSA-N 361.486 3.868 0 40 FHAB Cc1nc(NC(=O)C2CN(c3nc4c(F)cccc4s3)C2)sc1C 62023157 WWKKRRFDKLPMTQ-UHFFFAOYSA-N 362.455 3.584 0 40 FHAB O=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1cccc2ccccc12 70926713 VXYGAAVVVDGTFE-UHFFFAOYSA-N 373.456 3.517 0 40 FHAB CSc1nc(Cl)cc(N(C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 72203058 AOHJHFGIFADLKH-LLVKDONJSA-N 372.922 3.688 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl 223591868 IDUWCLAIGXOLJC-MRXNPFEDSA-N 372.896 3.744 0 40 FHAB COC(=O)c1cccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 225572238 ORWUXQYVVVCXSB-AWEZNQCLSA-N 353.418 3.758 0 40 FHAB COc1ccccc1C1(CNC(=O)/C=C/c2cccs2)CCOCC1 49520680 OFCZAXPBBNCDLC-CMDGGOBGSA-N 357.475 3.635 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)NCCOc1ccccc1C(C)C 223794408 GKMBSUJDEBDIKP-INIZCTEOSA-N 357.450 3.781 0 40 FHAB C[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)O 82557548 UZAANVFMPWVILR-FZKQIMNGSA-N 351.402 3.588 0 40 FHAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)o1 223521219 JOSAHXPDEJZTME-ROUUACIJSA-N 350.447 3.551 0 40 FHAB CCCO[C@@]1(C(=O)Nc2cnc(OCCOC)c(C)c2)CCC[C@@H](C)C1 225911638 WMCKMOWUQBPVJA-QRWLVFNGSA-N 364.486 3.729 0 40 FHAB O=C1OCC(c2ccccc2)=C1c1cccc(I)c1 225810492 UBQIXMZXEBPPII-UHFFFAOYSA-N 362.166 3.759 0 40 FHAB Cc1cc(OCC(=O)NCc2ccccc2-n2ccnc2C)ccc1Cl 44904371 BMAMVLFSTPJGNT-UHFFFAOYSA-N 369.852 3.838 0 40 FHAB Cc1cc(OCC(=O)Nc2ccccc2F)nc(-c2ccc(F)cc2)n1 49006937 IAUFIJUBTLECQR-UHFFFAOYSA-N 355.344 3.748 0 40 FHAB COc1ccc(OC(F)F)c(NC(=O)NCc2ccccc2OC)c1 40120580 ZSUMGLLKRCDCNG-UHFFFAOYSA-N 352.337 3.627 0 40 FHAB CC(C)(C)CC(=O)Nc1ccc(CC(=O)N2CC[C@@]3(CCCOC3)C2)cc1 585081165 HGUIZMPONRIWAI-QFIPXVFZSA-N 372.509 3.633 0 40 FHAB NCc1cccc(-c2cccnc2C(=O)NCc2ccccc2Cl)c1 257215969 CSMANOXJSTZDKX-UHFFFAOYSA-N 351.837 3.791 0 40 FHAB Cc1ccc(F)cc1NC(=O)[C@@H](C)N1CCC2(CC1)C(F)(F)C2(F)F 649710731 LDSZKZRQLSBNMX-LLVKDONJSA-N 362.342 3.828 0 40 FHAB COc1c(Cl)cccc1NC(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F 653952683 OWNNTKQXRLWVBZ-JOYOIKCWSA-N 366.767 3.970 0 40 FHAB C=CC(=O)Nc1ccc(C(=O)N2CCCCC[C@@H]2c2cccn2C)cc1 1624912188 GEMSWVPSAQKZJC-LJQANCHMSA-N 351.450 3.907 0 40 FHAB Cc1cccc(NC(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)c1C 96121412 AUMSIZJZSMTENM-UHFFFAOYSA-N 368.485 3.794 0 40 FHAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCCC[C@H]1C1OCCO1 69200558 UPGGPRVOZJKZEB-HNNXBMFYSA-N 361.825 3.968 0 40 FHAB CCc1cccc2c(C(=O)[C@@H](OC(=O)COC)c3ccccc3)c[nH]c12 5692648 SHKWWMRXXYZXQV-NRFANRHFSA-N 351.402 3.844 0 40 FHAB CC(=O)NC1(c2ccccc2)CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1 12188415 KEZUOKGHUINGQQ-HXUWFJFHSA-N 372.896 3.501 0 40 FHAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCCC[C@H]1CN1CCCC1 12360893 VRCKLBIYELYSPO-KRWDZBQOSA-N 357.473 3.635 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)Nc1ccc(F)cc1F)c1cccc(F)c1 12604133 PNBZCXWDGAISOI-INIZCTEOSA-N 360.339 3.749 0 40 FHAB Cc1ccc(Nc2nc(NC[C@H]3CCCO3)nc3nccnc23)cc1Cl 13010938 YXFOYIHWXDMALV-CYBMUJFWSA-N 370.844 3.716 0 40 FHAB CCn1c(C)c(C(c2c(O)n[nH]c2C)c2c(O)n[nH]c2C)c2ccccc21 14134629 RLIRUPHKWALNER-UHFFFAOYSA-N 365.437 3.624 0 40 FHAB CCn1c(SCC(=O)Nc2cccnc2)nnc1-c1ccc(Cl)cc1 15435704 HBFALJQOFCQTSF-UHFFFAOYSA-N 373.869 3.744 0 40 FHAB COc1cc(C)ccc1CN1CCCC[C@H]1c1ncc2c(n1)CCN(C)C2 19134058 NXHWDADDGXBMCK-FQEVSTJZSA-N 366.509 3.509 0 40 FHAB CCOc1ccc(NC(=O)[C@@H]([C@H](C)N2CCCCC2)N2CCCCC2)cc1 19366269 JFEFUMYXQVSUMX-GHTZIAJQSA-N 373.541 3.753 0 40 FHAB CC(=O)N[C@@H](c1ccccn1)C1CCN(C[C@H](C)c2ccccc2)CC1 19456067 HRMBPBHXLNGPTO-HTAPYJJXSA-N 351.494 3.775 0 40 FHAB COCC(=O)Nc1ccc2c(-c3cccs3)cc(C(F)(F)F)nc2n1 19593032 OGUALZIJGJAHHH-UHFFFAOYSA-N 367.352 3.962 0 40 FHAB COCc1nn2c(O)cc(COc3ccccc3)nc2c1-c1ccccc1 19594225 NJUWOEJKMGYNTJ-UHFFFAOYSA-N 361.401 3.827 0 40 FHAB Cc1cc2nc(C3CCN(CC(=O)Nc4ccccc4)CC3)[nH]c2cc1C 35311821 HRMATUXWZXQEIY-UHFFFAOYSA-N 362.477 3.998 0 40 FHAB CSc1ccccc1NC(=O)N1CC[C@H]2C[C@@]21C(=O)N1CCC(C)CC1 2056225217 INRYCRSPEFVFSD-YWZLYKJASA-N 373.522 3.663 0 40 FHAB CCOC(=O)c1c(NC(=O)CCOc2ccccc2)sc2c1CCC2 4194488 AODWIQINMYDDMF-UHFFFAOYSA-N 359.447 3.821 0 40 FHAB COc1ccc(OC)c(-c2nc3c(c(=O)[nH]2)Cc2cc(Cl)ccc2O3)c1 6748515 JSXFCLWEHURFMQ-UHFFFAOYSA-N 370.792 3.804 0 40 FHAB O=C(CCCn1nc(-c2ccco2)ccc1=O)Nc1cccc(Cl)c1 11695834 NAAWGDNZWYPLCY-UHFFFAOYSA-N 357.797 3.576 0 40 FHAB CCOc1ccc(S(=O)(=O)N(Cc2ccsc2)C2CC2)cc1F 44446723 XDDGQRFUCJQDSV-UHFFFAOYSA-N 355.456 3.639 0 40 FHAB CC[C@H](CN(CC)CC)OC(=O)C(O)(c1ccccc1)c1ccccc1 3633999 RASGLRQARDJDSK-HXUWFJFHSA-N 355.478 3.586 0 40 FHAB O=c1cccc2n1C[C@@H]1C[C@@H]2CN(c2nc(-c3ccc(F)cc3)cs2)C1 2091494 ZMNLQGSBFCCZLK-UKRRQHHQSA-N 367.449 3.735 0 40 FHAB biogenic CCN(CC)CCOc1ccccc1CNC(=O)c1ccc(F)cc1F 40107644 WIQSICFZPSHAIO-UHFFFAOYSA-N 362.420 3.615 0 40 FHAB CCCn1c(=O)c(C(=O)Nc2c(C)cccc2C)c(O)c2ccccc21 100733985 CZMNLUNAAGRQCL-UHFFFAOYSA-N 350.418 3.986 0 40 FHAB COc1ccc(-c2csc3nc(SCCN(C)C)nc(N)c23)cc1 31815833 ZUWVVIRFCUJAPI-UHFFFAOYSA-N 360.508 3.603 0 40 FHAB CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(C(C)=O)cc1 8168081 ZABSJPSQTVYWRB-UHFFFAOYSA-N 357.884 3.815 0 40 FHAB O=C(COc1ccccc1C1SCCS1)NCc1ccc(F)cc1 8136619 MFMCXFIQYSHRBD-UHFFFAOYSA-N 363.479 4.000 0 40 FHAB O=C(NCCc1ccc(Cl)cc1)NC[C@@H](O)c1ccc(Cl)cc1 29317035 DCFVFCJNXSHOOX-MRXNPFEDSA-N 353.249 3.569 0 40 FHAB COC(=O)c1c(NC(=O)C(C)C)sc(C(=O)NC2CCCCC2)c1C 871481 ZNJSUXJFCPZOLG-UHFFFAOYSA-N 366.483 3.500 0 40 FHAB CCCc1n[nH]c(=S)n1NCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 7602350 SZOBUESYDLZYJL-GFCCVEGCSA-N 358.467 3.950 0 40 FHAB O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)c1c(F)cccc1Cl 32752805 IXWWZSBUBRLXOG-UHFFFAOYSA-N 357.776 3.720 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 32721715 HQZLAASSSXZKCX-UHFFFAOYSA-N 369.808 3.565 0 40 FHAB O=C(CC[S@](=O)Cc1ccc(F)cc1Cl)Nc1ccc(F)cc1 58439237 TXMIQWWKGGPPHO-HSZRJFAPSA-N 357.809 3.896 0 40 FHAB CNC(=O)Nc1ccc(NC(=O)CCC(=O)c2ccc(Cl)s2)cc1 32903271 UXOUKLYCIHKORA-UHFFFAOYSA-N 365.842 3.754 0 40 FHAB CC(=O)c1c(C)nc(-c2ccco2)nc1SCC(=O)NCCC(C)C 32902149 XLZMTOFSVSIZKK-UHFFFAOYSA-N 361.467 3.502 0 40 FHAB Fc1ccccc1CN(Cc1ccnn1[C@@H]1CCCCO1)C[C@@H]1CCCO1 57811063 SDBCIURBGJXRHL-FPOVZHCZSA-N 373.472 3.903 0 40 FHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)N1CCCC1 58102823 HQODJEYCACDTBX-CQSZACIVSA-N 372.852 3.982 0 40 FHAB Cn1c(SC[C@@H]2CC2(Cl)Cl)nc2sc3c(c2c1=O)CCC3 22481819 ILJDAHBIOKKGDR-ZETCQYMHSA-N 361.319 3.770 0 40 FHAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(C)nc1 22414995 KQCKBSHWNZHPEN-UHFFFAOYSA-N 366.248 3.798 0 40 FHAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cc3ccccc3s2)c1 22602518 NQGMUKHJWJUFCM-UHFFFAOYSA-N 365.458 3.853 0 40 FHAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3Cl)CC2=O)cc1 806729 KTXRJHJKUFLUQZ-CYBMUJFWSA-N 358.825 3.730 0 40 FHAB Cc1[nH]c2ccccc2c1CNC[C@@H](c1cccs1)N1CCOCC1 23249351 MVTGEXZDOROFHF-IBGZPJMESA-N 355.507 3.701 0 40 FHAB Cc1cc(C)nc(SCC(=O)Nc2ccc(Br)cc2C)n1 1000109 AQNASPALORBHKS-UHFFFAOYSA-N 366.284 3.895 0 40 FHAB O=C1NC(=O)c2ccccc2/C1=C\N[C@H](c1cccs1)C1CCCC1 89857686 YHRNUDJRHRMALA-QIPRVMPFSA-N 352.459 3.880 0 40 FHAB CN(CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccc1C(F)(F)F 24841411 MJEDFQAAXXXGES-UHFFFAOYSA-N 366.339 3.505 0 40 FHAB C[C@@H](NC(=O)c1ccc(CSc2ncn[nH]2)cc1)c1cccc(F)c1 24954061 AXVHMPKZJFVKRZ-GFCCVEGCSA-N 356.426 3.727 0 40 FHAB COC(=O)c1cccc(C(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)c1 55419229 JFQRUQLHYPHYNX-FQEVSTJZSA-N 360.413 3.730 0 40 FHAB Cc1csc2nc(CNc3cc(Cl)ccc3-n3cccn3)cc(=O)n12 55874615 ONYMCYBQEDIKRH-UHFFFAOYSA-N 371.853 3.516 0 40 FHAB CS(=O)(=O)c1ccccc1NC(=O)N[C@@H]1CCc2cc(Cl)ccc21 56596337 NPPXHTKHMDPKHA-CQSZACIVSA-N 364.854 3.553 0 40 FHAB CC(C)(C)c1ccc2c(c1)OCC(=O)N2CC(=O)NCCC1=CCCCC1 51316175 OSIYTMFWRWIRQT-UHFFFAOYSA-N 370.493 3.716 0 40 FHAB Cc1cc(C)n(CCCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 27508853 SELWFTZJACZTNG-CYBMUJFWSA-N 370.280 3.781 0 40 FHAB CCCCC[C@](C)(O)/C=C/[C@@H]1[C@H](CCCCCCC(=O)O)C(=O)C[C@H]1O 27639797 OMNFCPCBKCERJP-KWLFLECTSA-N 368.514 3.865 0 40 FHAB O=C(Cn1ccc(=O)c2ccccc21)Nc1ccc(OC(F)(F)F)cc1 58356406 LHDMRLZCXHXIGC-UHFFFAOYSA-N 362.307 3.539 0 40 FHAB COC(=O)c1cc(COC(=O)CCc2nc3ccccc3s2)oc1C 3372978 FTPMAFHHOFEIII-UHFFFAOYSA-N 359.403 3.660 0 40 FHAB O=C(Cc1nc(-c2ccc(Cl)cc2Cl)cs1)N1CCOCC1 8297714 GONGOEJKOQOTRO-UHFFFAOYSA-N 357.262 3.518 0 40 FHAB CCCCn1c(=O)c(C(=O)Nc2cc(C)cc(C)n2)c(O)c2ccccc21 2295810 GWBGXUMRFZCQBF-UHFFFAOYSA-N 365.433 3.771 0 40 FHAB CCCCOc1ccc(Cc2c(Cl)nc(SC)nc2NN)cc1 2298942 OYSKFHANNKHTHP-UHFFFAOYSA-N 352.891 3.907 0 40 FHAB COc1ccc(OCc2nn3c(-c4ccc(F)cc4)nnc3s2)cc1 2236324 YHQLSSKBUKMOPT-UHFFFAOYSA-N 356.382 3.580 0 40 FHAB C[C@H]1CCc2nc(NC(=O)CSC(=S)N3CCCCC3)sc2C1 2371640 IZQJDHRMLUQYOI-NSHDSACASA-N 369.581 3.710 0 40 FHAB CC(=O)NCCCCCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 12785298 OVRDZGRRBCBJBY-UHFFFAOYSA-N 350.768 3.994 0 40 FHAB NC(=O)N[C@@H](CC(=O)N1CC2(CCCC2)c2ccccc21)c1cccs1 81811520 QWJNLQOLODDYJG-HNNXBMFYSA-N 369.490 3.706 0 40 FHAB O=C(/C=C/c1ccc(F)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12793392 KHZWKMNKRUQCIC-DNXKIMQPSA-N 353.393 3.974 0 40 FHAB O=C(CCCNC(=O)NC1CCCCC1)Nc1ccc(O)c2ccccc12 12739967 NFWFUJMNGAIOHH-UHFFFAOYSA-N 369.465 3.896 0 40 FHAB CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2cc(F)ccc2C)c1 48275846 NLZQQYBYWZSHMT-UHFFFAOYSA-N 365.426 3.526 0 40 FHAB O=C(OCc1nc(-c2cccs2)no1)c1cccnc1SC(F)F 12811598 BIFBNTUOBMSILD-UHFFFAOYSA-N 369.374 3.865 0 40 FHAB COc1ccc(C)cc1CCNC(=O)Cc1nc(-c2cccs2)oc1C 12908229 ZLYAYFUQGIZWQT-UHFFFAOYSA-N 370.474 3.930 0 40 FHAB CCOC(=O)c1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1 408730250 GFQDLBVNOZNIFZ-WJDWOHSUSA-N 355.777 3.861 0 40 FHAB C[C@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1cc(Cl)nc(Cl)c1 64140660 OYYZSKOZOUTPER-GWCFXTLKSA-N 350.249 3.756 0 40 FHAB O=S(=O)(NCCOc1ccccc1)c1ccc(Oc2ccccc2)cc1 22495967 FWIJUOLGAKMTCW-UHFFFAOYSA-N 369.442 3.836 0 40 FHAB C[C@@H](c1ccccc1)N(C)C(=O)/C=C/c1nnc2c3ccccc3cnn12 8404596 XRZMFJPDQWWRFF-LHNRBYRGSA-N 357.417 3.510 0 40 FHAB Cn1c(=O)n(C)c2cc(SC3CCCCC3)c(NC(=O)C3CC3)cc21 28049214 YRLJAYLOVTWMJX-UHFFFAOYSA-N 359.495 3.650 0 40 FHAB C[C@@H]1CCCN(Cc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)C1 20107105 YXVUYVIQKGZSLJ-MRXNPFEDSA-N 363.461 3.517 0 40 FHAB CC[C@H](C(=O)Nc1nn2c(-c3ccccc3)nnc2s1)c1ccccc1 20486453 FUFUVUFLRWUNNK-HNNXBMFYSA-N 363.446 3.985 0 40 FHAB CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc2ccccc2n1 14019199 ANUBXFVVPKYSTK-AWEZNQCLSA-N 362.385 3.621 0 40 FHAB O=C(N[C@@H](CC(=O)N1CCCC1)c1ccccc1)c1ccccc1Cl 5392399 MVLVFORNFYTCPV-SFHVURJKSA-N 356.853 3.824 0 40 FHAB Cc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(C)n1C1CC1 14126019 JECMKIQOUUWVJY-UHFFFAOYSA-N 351.494 3.834 0 40 FHAB CNc1nc(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2ccccc12 14255221 DHAUNCBJJNYNSP-UHFFFAOYSA-N 368.462 3.794 0 40 FHAB CC(=O)N(CCN1C(=O)c2ccccc2C1=O)c1ccc(C(C)(C)C)cc1 5495303 RDGOZOFRQGJXBG-UHFFFAOYSA-N 364.445 3.633 0 40 FHAB CCC(=O)Nc1ccc(-c2nc3ccc(Br)cc3c(=O)o2)cc1 4695738 NARGGWNDORXQHL-UHFFFAOYSA-N 373.206 3.966 0 40 FHAB COc1ccccc1-c1nnc(NC(=O)[C@@H](C)Oc2ccccc2)s1 5557297 WCJSDVHSNVZOHI-GFCCVEGCSA-N 355.419 3.620 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3OC(F)F)CC2=O)cc1 6626992 CNHBVCPRDMEBNT-CYBMUJFWSA-N 360.360 3.588 0 40 FHAB O=C(c1ccccc1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 5772708 IBKXIPSXZXQLEY-UHFFFAOYSA-N 363.244 3.592 0 40 FHAB COC(=O)CSc1ncc(-c2ccccc2)n1-c1ccccc1OC 6972996 YDGHCKLXERRMKI-UHFFFAOYSA-N 354.431 3.813 0 40 FHAB Cc1cc(C)cc(OCC(=O)NC[C@@H](c2ccc(C)o2)N2CCCCC2)c1 15860194 SXKVIUOSBTXLFI-FQEVSTJZSA-N 370.493 3.927 0 40 FHAB Cn1c(SCC(=O)c2cc3ccccc3o2)nc2ccsc2c1=O 8884151 AKOUUYGNYRXLFP-UHFFFAOYSA-N 356.428 3.716 0 40 FHAB CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3cc(C)ccc3C)n2)cc1 9205663 RCUTTXADVULZSA-UHFFFAOYSA-N 363.417 3.500 0 40 FHAB CNC(=O)c1ccc(NC(=O)N2CC[C@@H](c3ccccc3)C2)c(Cl)c1 89391774 YIBGIPFSZFSIDS-OAHLLOKOSA-N 357.841 3.721 0 40 FHAB CN(Cc1ccc(Br)o1)C(=O)c1c[nH]c2nccc(Cl)c12 89356262 RDPZOAPKFFHWCZ-UHFFFAOYSA-N 368.618 3.844 0 40 FHAB COc1cccc(-c2nc(C(=O)OCCCc3cccc(C)n3)c(C)[nH]2)c1 89688931 MQXNLRSOIFAISO-UHFFFAOYSA-N 365.433 3.887 0 40 FHAB CC(C)Oc1ccc(NC(=O)C(=O)NCCCCc2ccccc2)cc1 408709037 OIMBINGKXSXBAR-UHFFFAOYSA-N 354.450 3.551 0 40 FHAB CCn1nc(C)c2c(C(=O)N[C@@H](C)c3ccc(OC)cc3)cc(C)nc21 28242444 LESYHQWQQNAKGM-ZDUSSCGKSA-N 352.438 3.568 0 40 FHAB COc1ncc(C)cc1NC(=O)c1nc(C)n(-c2ccccc2C(C)C)n1 173519699 UTARNDJAJSYSBZ-UHFFFAOYSA-N 365.437 3.663 0 40 FHAB COC(=O)c1ccc2nc(NC(=S)N(C)c3ccccc3)sc2c1 33772878 YKPHXWOZKZQJFJ-UHFFFAOYSA-N 357.460 3.916 0 40 FHAB CC(C)c1ccc(S(=O)(=O)N(C)Cc2ccc(Br)o2)cc1 30420292 JSXQQNMWJMBXSR-UHFFFAOYSA-N 372.284 3.986 0 40 FHAB Cc1ccc(N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 219854630 BFQKSLMJSUGWIT-UHFFFAOYSA-N 352.434 3.621 0 40 FHAB O=C(O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1NC1CCCCC1 217637287 VTLLXHOJOQJGRN-UHFFFAOYSA-N 374.462 3.930 0 40 FHAB CCn1cc(C(=O)Nc2cccc(OC)c2)c(=O)c2cc(Cl)ccc21 32607748 QUZMINLFJIMRQW-UHFFFAOYSA-N 356.809 3.936 0 40 FHAB Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccc(Cl)cc2)on1 72396979 VCJWTIGPUFJMQV-MRXNPFEDSA-N 370.840 3.689 0 40 FHAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]1c1ccnc(-c2ccccc2)n1 72355862 BKFVKIZFVWRWJV-FQEVSTJZSA-N 369.428 3.997 0 40 FHAB Cc1cc(C)c2c(n1)sc1c(SCC(=O)N3CCCC3)ncnc12 32106609 XRXREQGZYGNHDZ-UHFFFAOYSA-N 358.492 3.571 0 40 FHAB CC(=O)Nc1cccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 39750690 IHBVOJCAUQJUPA-UHFFFAOYSA-N 369.440 3.635 0 40 FHAB NC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)cc3)nc2c1 216922553 XJIIYUIPFSNCIX-UHFFFAOYSA-N 350.603 3.745 0 40 FHAB O=C(N[C@@H]1CCCc2c1cnn2-c1ccncc1)[C@@H]1C[C@@H]1c1ccccc1 71195728 FCTJTNUMHNLONK-QWFCFKBJSA-N 358.445 3.565 0 40 FHAB Cc1nc([C@H]2CCCN2S(=O)(=O)c2cc(F)c(C)cc2F)cs1 188023410 OKVPQRNAIDKAIN-CQSZACIVSA-N 358.435 3.564 0 40 FHAB CCOc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2Cl)cc1 44840879 DNANTBSGZUMAMO-CYBMUJFWSA-N 353.871 3.919 0 40 FHAB O=C(Nc1nncs1)C1(c2ccc(Br)cc2)CCCC1 42690015 OABOKCVUYBEPDL-UHFFFAOYSA-N 352.257 3.751 0 40 FHAB COc1cc(C)c(S(=O)(=O)NCCSc2ccc(C)cc2)c(C)c1 223198579 ASWGXRSNXJFOFG-UHFFFAOYSA-N 365.520 3.691 0 40 FHAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 222860147 QRWRVJYRODDTMA-RTBURBONSA-N 363.490 3.650 0 40 FHAB Cc1cccc(C)c1OCCNC(=O)c1sc(-c2ccccn2)nc1C 40113833 COSXOHNREXQQSA-UHFFFAOYSA-N 367.474 3.939 0 40 FHAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc2c(c1)OCO2 225859854 GRDMIZXBPINVBB-IBGZPJMESA-N 367.445 3.768 0 40 FHAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1 222627530 LSGORCCBXQLMAI-KRWDZBQOSA-N 352.478 3.561 0 40 FHAB O=C(Cn1ccc2c(Br)cccc21)NCCCc1ccco1 40267352 MWDFDRRYUHONQB-UHFFFAOYSA-N 361.239 3.746 0 40 FHAB COc1ccc([C@@H]2CC(=O)c3sc(Br)nc3C2)cc1OC 85390005 BRNDHPPSOCJEHO-VIFPVBQESA-N 368.252 3.836 0 40 FHAB Cc1nc(N2CCN(C(=O)Nc3ccc(C4CCC4)cn3)CC2)sc1C 333665190 MTOIHNIXBNESNQ-UHFFFAOYSA-N 371.510 3.777 0 40 FHAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(C(=O)CC2=CCCCC2)C3)n1 247858330 DSUVBHUSFRFXSW-FQEVSTJZSA-N 370.493 3.557 0 40 FHAB CCc1oc2ccccc2c1CC(=O)N1CCOC[C@@H]1c1nc(C)cs1 529082313 QWGDUWXHQUBPJK-MRXNPFEDSA-N 370.474 3.903 0 40 FHAB Cc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCCF)cc2)c(C)c1 257310106 UDSAFBGYWJRCHM-IBGZPJMESA-N 361.457 3.523 0 40 FHAB Cc1ccc(-n2cc(NC(=O)N3CCC(c4ncc[nH]4)CC3)cn2)c(C)c1 276434246 RVSYEGRNHOYUKI-UHFFFAOYSA-N 364.453 3.624 0 40 FHAB COc1cccc2cc(CNC(=O)Nc3ccc4c(=O)[nH]ccc4c3)oc12 1626188932 CDSKWARDQAJTAP-UHFFFAOYSA-N 363.373 3.605 0 40 FHAB CCSCc1nnc2sc(-c3ccccc3Br)nn12 1772491409 NEWBPONEJJDKHQ-UHFFFAOYSA-N 355.286 3.868 0 40 FHAB O=C(Nc1cccc(OCCn2cncn2)c1)C12CC3CC(CC(C3)C1)C2 43246520 XMDKZZCFHSQAJM-UHFFFAOYSA-N 366.465 3.512 0 40 FHAB C[C@@H](c1cccc(O)c1)N(C)C(=O)c1ccc(CNC(=O)OC(C)(C)C)o1 84656212 GYGYRFZANGDIFQ-ZDUSSCGKSA-N 374.437 3.843 0 40 FHAB Cc1nc(C(=O)N2CCCc3cc(Cl)cc(Br)c32)co1 662184949 FXPWUSZEOAJEQC-UHFFFAOYSA-N 355.619 3.992 0 40 FHAB O=C(C[C@H]1C=CS(=O)(=O)C1)Nc1cc(Cl)c(Cl)cc1Cl 5567051 IGNSAFBLOGBYIE-SSDOTTSWSA-N 354.642 3.534 0 40 FHAB COC(=O)c1sc(NC(=O)c2ccc3c4c(cccc24)CC3)nc1C 5724594 OGSLTJXLPOOUNC-UHFFFAOYSA-N 352.415 3.742 0 40 FHAB Cc1nccc(-c2ccc(-c3noc(CN4C[C@@H](C)C[C@@H](C)C4)n3)cc2)n1 12337097 JZXQZQOVXPWKTO-GASCZTMLSA-N 363.465 3.980 0 40 FHAB CCc1cccc2c(CNCc3ccc(CN4CCOCC4)cc3)c[nH]c12 12567210 MKDZZSRWPQLPIX-UHFFFAOYSA-N 363.505 3.852 0 40 FHAB CCOc1ccccc1CCCNC(=O)/C=C/c1ccc2c(c1)OCO2 13674976 STFFYMUBNBIKED-ZRDIBKRKSA-N 353.418 3.576 0 40 FHAB C[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1cccc(C(F)(F)F)c1 14574697 FPCOFTGHPHEMCM-NSHDSACASA-N 371.380 3.600 0 40 FHAB CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C)C(C)C)cc2)cc1 16728337 BUDBYFNTQIGCQL-AWEZNQCLSA-N 360.479 3.635 0 40 FHAB O=C1OCC/C1=C\OCCCCCCCCCCO/C=C1\CCOC1=O 17019797 ZKODMILGLBETIF-YTEMWHBBSA-N 366.454 3.802 0 40 FHAB O=C1CCCC[C@]2(CN(Cc3ccccc3)C[C@H]2c2cc(F)cc(F)c2)N1 19372612 JZARVLNPGAMFLV-RBBKRZOGSA-N 370.443 3.993 0 40 FHAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)C3CC3)cc2n1 19452302 BDPQPLGYQUOIOM-CQSZACIVSA-N 366.387 3.945 0 40 FHAB CC1(C)C(=O)N(c2ccc(Cl)cc2)C(=O)N1c1nc2ccccc2[nH]1 5396366 RQKOBOLQXAWRLU-UHFFFAOYSA-N 354.797 3.968 0 40 FHAB CCOc1cc(NC(=O)c2ccc(OC)c(OC)c2)cc2sc(N)nc12 226311016 YVSIDGOYADTOFA-UHFFFAOYSA-N 373.434 3.547 0 40 FHAB CCSc1nnc(S[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)s1 5450274 DPTJLRVEVRGXKJ-SNVBAGLBSA-N 367.521 3.972 0 40 FHAB Cn1nccc1-c1ccc(CCNC(=O)c2c(F)cccc2Cl)cc1 1889258627 WTRRZXKTKHRLAY-UHFFFAOYSA-N 357.816 3.852 0 40 FHAB CN(C(=O)CCNC(=O)c1ccc(Cl)cc1)c1nc2ccccc2s1 26959585 XKTHXHXQBSEFEQ-UHFFFAOYSA-N 373.865 3.733 0 40 FHAB O=C(CCc1ccc(F)c(Cl)c1)N[C@@H](Cn1nccn1)c1ccccc1 238951960 XCUXZVSUZZIVDO-SFHVURJKSA-N 372.831 3.561 0 40 FHAB COC(=O)c1cc(-c2cc(Br)cc(C(F)(F)F)c2)on1 260434575 WCDGZYPURCUKLN-UHFFFAOYSA-N 350.090 3.910 0 40 FHAB CO[C@H]1CCCN(C(=O)c2ccc3nc(C)[nH]c3c2)[C@H]1Cc1ccccc1 2037909294 NNMNFLBLNASMNV-SFTDATJTSA-N 363.461 3.734 0 40 FHAB O=C(NCCn1cc(-c2ccccc2)cn1)c1ccccc1Br 253473532 VTNKAPAOTVMLKE-UHFFFAOYSA-N 370.250 3.743 0 40 FHAB COc1cccc(N2C[C@H](NC(=O)Nc3c(C)cc(C)cc3C)CC2=O)c1 5189991 UNEXYDYAKRXDAI-MRXNPFEDSA-N 367.449 3.547 0 40 FHAB COc1ccc(C(=O)/N=c2\sc3c(C)cc(C)cc3n2C)cc1OC 100908786 HHIWYSUKWXUTGA-VXPUYCOJSA-N 356.447 3.615 0 40 FHAB COc1ccc(C(=O)CSC2=N[C@@H]3Nc4ccccc4[C@@H]3N=N2)cc1 38536846 HPLDVWRPFLMWHS-IRXDYDNUSA-N 352.419 3.926 0 40 FHAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc(-c4ccncc4)n[nH]3)cc2)n1 72255868 NFBDAZFKHOEVPK-UHFFFAOYSA-N 372.432 3.586 0 40 FHAB O=C(Nc1ccnn1Cc1ccccc1)C1=Cc2cc(Cl)ccc2OC1 40009946 DVGKFUIPBUYTSA-UHFFFAOYSA-N 365.820 3.999 0 40 FHAB O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1cc(F)cc(F)c1 31960541 ZWFJRAYBRQWRCL-UHFFFAOYSA-N 365.401 3.933 0 40 FHAB Cc1csc(CNC(=O)Cn2c(C)cc(-c3csc(C)n3)c2C)n1 29417865 BWWWPBVUKWXVBL-UHFFFAOYSA-N 360.508 3.618 0 40 FHAB O=C(Cc1csc(-c2ccccc2F)n1)Nc1ccc2c(c1)OCCO2 11867513 BXUPQJCOPMTNGM-UHFFFAOYSA-N 370.405 3.902 0 40 FHAB CSc1ncc(Cl)c(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)n1 29600731 IWDRQGABPZPJBH-ZETCQYMHSA-N 354.888 3.686 0 40 FHAB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccccc2)CC1=O 990223 LTKYIJYADCHQHG-INIZCTEOSA-N 356.809 3.780 0 40 FHAB CCCn1c(SCC(=O)Nc2ccc(OCC)cc2)nnc1C(C)C 1364224 ZEUVVSUTIDKTMB-UHFFFAOYSA-N 362.499 3.941 0 40 FHAB O=C1C(Cl)=C(Nc2ccc(F)cc2)C(=O)N1Cc1ccc(Cl)cc1 1786152 CVPZMZMUFHOROX-UHFFFAOYSA-N 365.191 3.910 0 40 FHAB CC(C)c1ccccc1OC[C@@H](O)CN1C(=O)CC2(CCCCC2)CC1=O 60381595 SUOXEOWOGGVEAY-KRWDZBQOSA-N 373.493 3.649 0 40 FHAB Nc1nnc(SCC(=O)N(C2CCCCC2)C2CCCCC2)s1 3275464 FOMCFZWBHOKGGZ-UHFFFAOYSA-N 354.545 3.706 0 40 FHAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1nnc(-c2ccccc2)o1 3531762 FNZHGOLNCIGSBQ-UHFFFAOYSA-N 371.418 3.730 0 40 FHAB O=C1Nc2ccccc2CC[C@H]1Sc1nc(Cc2cccs2)n[nH]1 20723744 VAMGNSSQSTUCFM-CQSZACIVSA-N 356.476 3.503 0 40 FHAB CCOc1cccc2c1O[C@@]1(C)C[C@@H]2NC(=O)N1c1ccc(OC)cc1 4101648 GRHOTBGQXWARMI-JXFKEZNVSA-N 354.406 3.864 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1 4385224 NCZDOWZOLZHZCN-MRXNPFEDSA-N 352.434 3.694 0 40 FHAB COc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1Cl 7428326 AHYIQLZQZXKHCU-UHFFFAOYSA-N 350.198 3.942 0 40 FHAB COc1ccc(CCNC(=O)c2ccc(N3CCCCC3)cc2)cc1OC 7504628 MVGYJYUYZXFGMU-UHFFFAOYSA-N 368.477 3.667 0 40 FHAB Cc1cc(NC(=O)[C@H](C)N2CCC(c3nc4ccccc4s3)CC2)no1 8533049 OVZZXWCNEVMZTJ-ZDUSSCGKSA-N 370.478 3.799 0 40 FHAB CCCNC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7872840 MYZUDZSJQJQCEZ-LBPRGKRZSA-N 369.494 3.768 0 40 FHAB CCCCNC(=O)[C@@H](C)N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 53073937 JBBIEAXOEXCLAA-OAHLLOKOSA-N 355.482 3.570 0 40 FHAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)/C=C/c2ccc(Cl)cc2)c1 9903606 NCAPSKJFHCXSNF-BJMVGYQFSA-N 369.852 3.691 0 40 FHAB COc1ccccc1/C=C/C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1C 3095040 GPYJYIQJVXMUPE-FEAKQIBJSA-N 367.445 3.872 0 40 FHAB O=C1COc2cc(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)ccc2N1 22644648 WHEYGKJLDNCWOW-UHFFFAOYSA-N 356.381 3.841 0 40 FHAB Cn1cc(NC(=O)Cn2c(-c3ccccc3Cl)nc3ccccc32)cn1 25307509 KPWIHYJWZCZSHA-UHFFFAOYSA-N 365.824 3.729 0 40 FHAB Cc1cccc(N[C@H]2CC(=O)N(c3ccccc3Br)C2=O)c1 101276868 WKNNYSXSXVGJPV-AWEZNQCLSA-N 359.223 3.502 0 40 FHAB O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 846545 FBPYALJUAXZHSB-HXUWFJFHSA-N 370.408 3.533 0 40 FHAB O=C1C[C@]2(CC[C@H]3[C@@H](C(=O)NCc4cccc(F)c4)[C@@H]32)Oc2ccccc21 100124454 ALNBJXJLAPYGHK-DQMRONCHSA-N 365.404 3.502 0 40 FHAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C1=NN(c2ccccc2)C(=O)CC1 23763877 NXBVKVBKNXCPQA-CYBMUJFWSA-N 371.387 3.667 0 40 FHAB Cc1cccc(N2CCN([C@@H](CC(C)C)c3nnnn3C(C)C)CC2)c1C 57670202 BZVSOQBYOOAVSQ-FQEVSTJZSA-N 370.545 3.780 0 40 FHAB CS(=O)(=O)c1ccccc1Oc1ncc(C(F)(F)F)cc1Cl 1385660 NVLYJABNJHEBDL-UHFFFAOYSA-N 351.733 3.950 0 40 FHAB CCc1nc(COC(=O)c2nn(-c3ccccc3)c3c2CCC3)cs1 22748164 ODMBEZXROGRRTG-UHFFFAOYSA-N 353.447 3.737 0 40 FHAB O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 25145164 IQPXHMCCMYRDES-WDMOLILDSA-N 372.412 3.727 0 40 FHAB Cc1cc(CN(C)C(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)no1 25137493 QAXOQMSXUACCAT-UHFFFAOYSA-N 355.442 3.704 0 40 FHAB Cc1ccc(C)c(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c1 3259250 XHPLUXSPNDDGKI-UHFFFAOYSA-N 353.205 3.801 0 40 FHAB C[C@H](OC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)C(=O)NC1CC1 83966587 WKSALOVNVGSHLE-BYPYZUCNSA-N 372.035 3.519 0 40 FHAB O=c1c2ccccc2cnn1C[C@H](O)Cn1c2ccccc2c2ccccc21 25249138 FDKDDKSJWYYZLU-QGZVFWFLSA-N 369.424 3.566 0 40 FHAB Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(F)c(F)c3F)ccc12 3259059 JHZDNKFBGVCFHQ-UHFFFAOYSA-N 363.291 3.536 0 40 FHAB Cc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(C)n1C[C@@H]1CCCO1 25363344 XQXYBXSONGNAHT-LTXFRBGYSA-N 369.490 3.569 0 40 FHAB Cc1c(C(=O)CN2CCN(c3ccccc3F)CC2)c2ccccc2n1C 35366111 JMGOHYUPHPAFTH-UHFFFAOYSA-N 365.452 3.631 0 40 FHAB CCc1ccc(CNC(=O)c2cc(-c3ccc(OC)cc3OC)[nH]n2)cc1 57477276 XPADODRYHRXNGV-UHFFFAOYSA-N 365.433 3.586 0 40 FHAB CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(C)c(S(C)(=O)=O)c1 44331138 OFLJVNPOFAMCRM-MRXNPFEDSA-N 359.491 3.839 0 40 FHAB Cc1cccc(OCC(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)c1 1807747 IZVVHNCZCNHVIJ-UHFFFAOYSA-N 350.370 3.575 0 40 FHAB O=C(NCc1ccnc(N2CCCC2)c1)c1c[nH]c2cc(Cl)ccc12 58168607 ULJCGWQOEWERFV-UHFFFAOYSA-N 354.841 3.747 0 40 FHAB CCc1c(C(=O)N(Cc2ccco2)CC(F)(F)F)[nH]c(C)c1C(C)=O 58209697 UOEDDLGENIUMIF-UHFFFAOYSA-N 356.344 3.886 0 40 FHAB Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NC2CCCC2)c1 28928172 YGIXEMFFAHQQNZ-UHFFFAOYSA-N 372.490 3.777 0 40 FHAB CCOc1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1OCC 3330417 BSYJPLIKTPGEAG-UHFFFAOYSA-N 357.378 3.563 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)c2ccc(Br)cc2)cc1 10542511 RZGJHHKKEUISFI-LBPRGKRZSA-N 364.239 3.655 0 40 FHAB CN(C)C(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704833 UAVWGGZCLKDMRM-IBGZPJMESA-N 374.893 3.816 0 40 FHAB O=C(Nc1ccc(Oc2ccccc2)cc1)C1(n2cnnn2)CCCCC1 36352791 YAFTVQBARXTZSF-UHFFFAOYSA-N 363.421 3.764 0 40 FHAB CC(C)Oc1cccc(-c2nnc(SCc3ccccc3F)n2N)c1 2396128 KYPCTMQVUAWMCJ-UHFFFAOYSA-N 358.442 3.878 0 40 FHAB CC(C)n1nccc1NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 16474800 NPNLEOZQMCXHFE-QGZVFWFLSA-N 354.498 3.746 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(-c3ccc(F)cc3)o2)cc1 12870202 SESPBDZZJIMIIP-UHFFFAOYSA-N 360.410 3.610 0 40 FHAB Cc1ccc2c(c1)N(C(=O)c1sc(-c3ncccn3)nc1C)C[C@H](C)O2 81390078 JXBFNNLVVPXSJS-LBPRGKRZSA-N 366.446 3.645 0 40 FHAB C[C@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)N1C[C@@H](C)O[C@H](C)C1 3415557 MCCUSHKWPJUIFZ-ZACQAIPSSA-N 354.450 3.915 0 40 FHAB O=C(COC(=O)c1ccc(Br)cc1)Nc1cc(F)ccc1F 3508568 YLBYNBWBWGGQJY-UHFFFAOYSA-N 370.149 3.523 0 40 FHAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCCN1C(=O)c1cccs1 12901574 PUVUNOMJLKNQGR-HQHQJUQOSA-N 372.534 3.828 0 40 FHAB COc1cc(C(=O)NCc2coc(-c3cccs3)n2)cc(OC)c1C 12929382 MJOLNJMNTSFCQV-UHFFFAOYSA-N 358.419 3.659 0 40 FHAB Cc1cc(-c2csc(COc3ccccc3)n2)c(C)n1-c1ncn[nH]1 8042356 WQQFRYZKEITEQW-UHFFFAOYSA-N 351.435 3.915 0 40 FHAB Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nncs2)o1 8270145 ACWQOQGEFHAHSJ-UHFFFAOYSA-N 357.420 3.844 0 40 FHAB CCCCc1cc(NC(=O)CCc2nc(-c3ccc(F)c(C)c3)no2)[nH]n1 64080061 IDRURKDCLBGKCD-UHFFFAOYSA-N 371.416 3.821 0 40 FHAB COc1ccc([C@@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc1 49548310 APICRVOAQOIFDL-INIZCTEOSA-N 366.442 3.656 0 40 FHAB COc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)cn1 69371817 SDPNFMSSLFOYAG-UHFFFAOYSA-N 358.401 3.966 0 40 FHAB CC[C@H](C)[C@@H](CO)NC(=O)c1sc(-c2ccc(Cl)cc2)nc1C 13725397 PLSXKYUPFHUZRC-IINYFYTJSA-N 352.887 3.909 0 40 FHAB Cc1ccc(OCCCC(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1 8312461 UKFKKPAVQROAHI-UHFFFAOYSA-N 368.477 3.868 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)cc1 6314017 PLEUREMAXSHGBU-HNNXBMFYSA-N 357.475 3.879 0 40 FHAB Cc1ccc(S[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)cc1 14094010 JTXSXWZDCGYEKS-MRXNPFEDSA-N 356.491 3.847 0 40 FHAB CSc1ccc([C@@H]2SCC(=O)N2C[C@@H]2COc3ccccc3O2)cc1 6585834 ITDWBTGYFQNGJF-KUHUBIRLSA-N 373.499 3.823 0 40 FHAB O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)Nc1ccccc1 6597559 ACIWZEIKODFZAM-UHFFFAOYSA-N 371.487 3.594 0 40 FHAB COc1ccc(Cc2nnc(NC(=O)/C=C/c3ccccc3)s2)cc1 4699585 RYRQRLXFALEILC-FMIVXFBMSA-N 351.431 3.789 0 40 FHAB Cc1noc(C)c1S(=O)(=O)N[C@H](c1ccc(F)cc1)c1cccs1 17333062 XDAXNPDYIPYYGL-OAHLLOKOSA-N 366.439 3.560 0 40 FHAB COc1ccc(Br)cc1/C=N/Nc1cccc([N+](=O)[O-])c1 4922883 GWEWLRUPGWBBPZ-CXUHLZMHSA-N 350.172 3.812 0 40 FHAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-n2ccnc2)cc1 7050170 DKKWUQZUXMLNGV-CYBMUJFWSA-N 361.854 3.565 0 40 FHAB COCCCNC(=O)C(C)(C)Oc1ccc([C@@H]2CC2(Cl)Cl)cc1 71285170 SSVSIFOQIJNCQL-AWEZNQCLSA-N 360.281 3.658 0 40 FHAB Cc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1 15992592 VXYJIOORKLZFNM-UHFFFAOYSA-N 360.479 3.585 0 40 FHAB Cc1csc2nc(CSCCOc3ccc(F)cc3)cc(=O)n12 9365340 XLWUKZPKHJGXAJ-UHFFFAOYSA-N 350.440 3.516 0 40 FHAB Cc1cc(NC(=O)CN2CCC[C@H](C(F)(F)F)C2)ccc1N1CCCC1 9367899 BYRONGBDZFMHSM-HNNXBMFYSA-N 369.431 3.808 0 40 FHAB Cc1cc(CN2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)on1 97489694 OTAXUESUFWJQNM-OAHLLOKOSA-N 354.237 3.893 0 40 FHAB CCCC(=O)N1CCCC[C@H]1C(=O)NC[C@@H](C)c1nc2ccccc2s1 78714082 SIQGPEGCIYNGQV-ZBFHGGJFSA-N 373.522 3.697 0 40 FHAB CCOC(=O)c1cnc(C)c(NC(=O)[C@@H]2SCCc3ccccc32)c1 95453920 SLWSVNGQDVLSOW-QGZVFWFLSA-N 356.447 3.536 0 40 FHAB COc1cccc(N[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 95949680 GIXDTANKSWFJQI-OAHLLOKOSA-N 365.216 3.746 0 40 FHAB COc1ccc(-c2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)cc1 22623270 RWKZPSXNJCGPAU-UHFFFAOYSA-N 361.511 3.667 0 40 FHAB CCOC(=O)N[C@@H](CC(=O)Nc1cc(OC)ccc1OC)c1ccccc1 409002315 NEIQLHGHYPESSN-INIZCTEOSA-N 372.421 3.520 0 40 FHAB CCCc1nc(S/C(=C\c2ccc(N3CCCCC3)o2)C(=O)O)n[nH]1 213375544 MZMOXZBWTSYEBQ-QBFSEMIESA-N 362.455 3.558 0 40 FHAB CN1C(=O)/C(=C/c2cc3c(cc2Br)OCO3)c2ccccc21 213624954 XUZDJVYAVXYALF-WUXMJOGZSA-N 358.191 3.695 0 40 FHAB CCOC(=O)c1cc2c(C)n(-c3ccc(OC)cc3)c(C)c2ccc1=O 31903707 RCLDLNJNKVPPHH-UHFFFAOYSA-N 351.402 3.793 0 40 FHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Oc1ccccc1 78579739 QKBCVOUCNKDWOV-CYBMUJFWSA-N 357.435 3.614 0 40 FHAB CCc1ccccc1O[C@@H](C)C(=O)N1CCN(c2cccc(C)c2C)CC1 38754759 YKCBNYDEWVDCRW-IBGZPJMESA-N 366.505 3.982 0 40 FHAB C[C@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccc2c(c1)OCCO2 43842490 VEHBMHATOONOLM-QWHCGFSZSA-N 361.825 3.756 0 40 FHAB COc1ccc(CC(=O)NCc2ccccc2CN2CCC(C)CC2)cc1 40106806 SNLVNZWWWDIHDK-UHFFFAOYSA-N 366.505 3.786 0 40 FHAB COCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cn1 225861500 CVZDBDNLVKSNPY-UHFFFAOYSA-N 358.413 3.696 0 40 FHAB COc1ccc(NC(=O)C(C)(C)Oc2ccn(-c3ccccc3)n2)cc1 227159674 AGZILSJZNSZMER-UHFFFAOYSA-N 351.406 3.677 0 40 FHAB CC[C@@H](C(=O)Nc1ccc(C)cc1C)N(c1cccc(C)c1)S(C)(=O)=O 220493510 VKIMTHONKIKIHN-IBGZPJMESA-N 374.506 3.795 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2c(C)cc3nc(N)sc3c2C)c1 45889923 IDNYJNYZBPYJSX-UHFFFAOYSA-N 357.435 3.765 0 40 FHAB CCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223311734 CBLNDEPLLJQKCJ-NQIIRXRSSA-N 366.505 3.951 0 40 FHAB CN(C)c1nc2ccc(NC(=O)C[C@H]3OCCc4ccsc43)cc2o1 89326952 ZDFWRQVIGBGOAJ-OAHLLOKOSA-N 357.435 3.598 0 40 FHAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1 224078388 ZMUUYUGHEZIGRR-IBGZPJMESA-N 366.505 3.809 0 40 FHAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N1CCN(c2ccc(F)cc2)CC1 222981169 PDQXBQCHOIFROG-OAQYLSRUSA-N 370.468 3.949 0 40 FHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(C)c(C)cc1C 225647971 AUDFATRAGQMZSC-UHFFFAOYSA-N 357.406 3.668 0 40 FHAB CCOc1cc(C=O)ccc1OCc1nc(-c2c(F)cccc2F)no1 89263024 CKESETPKTPFMHC-UHFFFAOYSA-N 360.316 3.805 0 40 FHAB COc1ccc(CN(C(C)=O)[C@@H](C(=O)NCC(C)C)c2ccccc2)cc1 223540223 OCOOXYCSNPPXER-OAQYLSRUSA-N 368.477 3.557 0 40 FHAB CCOc1ccc(CC(=O)NCCN2CCC(c3cccs3)CC2)cc1 77103997 BDUQWRHFEIKANT-UHFFFAOYSA-N 372.534 3.685 0 40 FHAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccccc1 225041865 WOTMVQYYLWXYNS-IBGZPJMESA-N 366.505 3.605 0 40 FHAB COc1ccc(C(C)C)cc1S(=O)(=O)N(C)Cc1ccccc1F 223011569 ISWZJQNLMRKHHL-UHFFFAOYSA-N 351.443 3.778 0 40 FHAB COC1(C(=O)Nc2ccc(OCCN3CCCCCC3)cc2)CCCC1 225626159 PBHMYAGEXLXRIQ-UHFFFAOYSA-N 360.498 3.839 0 40 FHAB Fc1cc(Br)ccc1CN1CCN(Cc2ccccc2)CC1 199737659 DOYJVENESXGSQE-UHFFFAOYSA-N 363.274 3.906 0 40 FHAB O=C(O)c1c(F)cc(F)c(-c2c(F)cc(F)c(C(=O)O)c2F)c1F 95486381 MWHZHXJMULHBRR-UHFFFAOYSA-N 350.170 3.585 0 40 FHAB Cn1c(C(=O)NCCc2ccccn2)cc2c1c1ccccc1n2CC1CC1 96146497 JKYBVQUABPDAHT-UHFFFAOYSA-N 372.472 3.911 0 40 FHAB CC1=N[C@@]2(CC[C@@H]3CN(Cc4ccc(Cl)cc4)C[C@@H]32)C(=O)N1CC1CC1 96261481 IBXBYKJVSRNLNQ-SLYNCCJLSA-N 371.912 3.591 0 40 FHAB O=C(CC1(n2cccc2)CCCCC1)Nc1nnc([C@@H]2CCCO2)s1 95473170 QCLCZBNOIIYJOK-AWEZNQCLSA-N 360.483 3.879 0 40 FHAB O=C(Nc1ccccc1)N1C[C@@H]2CN(Cc3cccc(Cl)c3)C[C@H]2C1 96081065 KABBIPMQJNHTOO-IRXDYDNUSA-N 355.869 3.936 0 40 FHAB O=C(CC1CCOCC1)N1CCC[C@H](Cc2cccc3ncccc23)C1 257281541 OPRRSJKXQBUADS-GOSISDBHSA-N 352.478 3.833 0 40 FHAB CN1c2ccccc2N(Cc2csc(-c3ccccc3)n2)S1(=O)=O 253471948 GSGKTYBMVMJNQC-UHFFFAOYSA-N 357.460 3.511 0 40 FHAB O=C(NC[C@H]1CCCCN1Cc1cccc(C(=O)O)c1)Nc1ccccc1 263443624 FHAYFRXDSNFSDD-LJQANCHMSA-N 367.449 3.561 0 40 FHAB O=C(Nc1ccc(-c2cnc3n2CCC3)cc1)c1ccc2nsnc2c1 85556843 XEFSLJGIFLLVHV-UHFFFAOYSA-N 361.430 3.753 0 40 FHAB COc1ccc(C(=O)NCCc2c[nH]c3c(Cl)cccc23)c(OC)c1 1150336732 GDNVAYJZXKWGJL-UHFFFAOYSA-N 358.825 3.811 0 40 FHAB Cc1ccc(Nc2ccccc2C(=O)N2CCN(C(=O)C(C)C)CC2)cc1 53458094 IAWKUBWGLAFRFU-UHFFFAOYSA-N 365.477 3.679 0 40 FHAB O=C(NC[C@@H]1CCCO1)c1csc(-c2cc(Br)cs2)n1 57987020 ZLQORCOIMCFLDQ-VIFPVBQESA-N 373.297 3.543 0 40 FHAB Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)OCc2ccccc2)c(C)c1 5542344 GUTXDRKRJSXMOS-GOSISDBHSA-N 370.474 3.954 0 40 FHAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)C(C)(C)C)C3)cc2n1 12276544 WELBVRNEYVHWJC-NSHDSACASA-N 368.403 3.673 0 40 FHAB COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NCC2=CCCOC2)cc1OC 12329305 WWULQMSBMWWTIV-UDKICSLYSA-N 357.494 3.912 0 40 FHAB Fc1ccc(N2CCN(Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)cc1 13056832 PTYVJAZUNYNDTH-UHFFFAOYSA-N 372.831 3.851 0 40 FHAB CCOC(=O)c1c(C)n(Cc2ccc(OC)c(OC)c2)c2ccc(O)cc12 16683039 DINRYETVXVHYNH-UHFFFAOYSA-N 369.417 3.898 0 40 FHAB CCCCc1ccc(NC(=S)N2CCN(Cc3ccccn3)CC2)cc1 16704516 FIUCRHDYXKELOQ-UHFFFAOYSA-N 368.550 3.939 0 40 FHAB CC(C)c1nccn1CCCNC(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 19715622 CWSPOMNGZJJREC-OAHLLOKOSA-N 372.513 3.966 0 40 FHAB CC1CCN(c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)CC1 19715644 YMENNDJJOBGNQI-UHFFFAOYSA-N 355.526 3.623 0 40 FHAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)NCc1ccc(F)cc1 8061239 SAWVRJOEDZONKQ-QPJJXVBHSA-N 361.800 3.970 0 40 FHAB O=c1oc2ccccc2cc1S(=O)(=O)c1cc(Cl)cc(Cl)c1 1889125086 GJNXHKNSXBEVHG-UHFFFAOYSA-N 355.198 3.933 0 40 FHAB CC[C@@H](NC(=O)COc1ccccc1NC(C)=O)c1ccc(Cl)cc1 21367083 LUUWIPORYSOOOS-MRXNPFEDSA-N 360.841 3.945 0 40 FHAB CC(=O)c1ccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)s1 22312149 RMYRTJJHJYUDAW-UHFFFAOYSA-N 364.854 3.693 0 40 FHAB C/C=C/c1ccc(OCC(=O)N(C)c2nc3ccccc3o2)c(OC)c1 24980917 ICQVTNDDZXALQJ-QPJJXVBHSA-N 352.390 3.911 0 40 FHAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1nc2c(s1)CCC2 25769296 SLVDVZXYJDBYBG-UHFFFAOYSA-N 357.410 3.997 0 40 FHAB CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1 38834451 PWXWTFBNHKMZSS-IBGZPJMESA-N 366.461 3.714 0 40 FHAB Cc1nc2ccccc2c(=O)n1-c1ccc(OC(F)(F)C(F)F)cc1 759048 KCNCQEUUAOXEFY-UHFFFAOYSA-N 352.287 3.931 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 5154066 OVLVYXOZNKNVEG-UHFFFAOYSA-N 370.836 3.826 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2ccccc2)cc1 15390868 NXNOXGRYTOQRQU-GOSISDBHSA-N 372.490 3.567 0 40 FHAB CC(C)(C)c1csc(CN2CCN(C(=O)/C=C/c3ccccc3)CC2)n1 23137155 CQVLWKDHYDRODR-MDZDMXLPSA-N 369.534 3.798 0 40 FHAB CCCN(CCC)C[C@@H](O)COc1ccccc1C(=O)Nc1ccccc1 1804049 WUHHKFJFGLSSEG-LJQANCHMSA-N 370.493 3.801 0 40 FHAB CC(C)[C@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc12)N(C)C 30610862 STRUJFPUDURCFF-NRFANRHFSA-N 362.477 3.613 0 40 FHAB Cn1c(=O)c(C(=O)Nc2cccc(C(F)(F)F)c2)c(O)c2ccccc21 100327256 KISFQVBUPVDCOH-UHFFFAOYSA-N 362.307 3.515 0 40 FHAB CCc1c(C(=O)Nc2nnc(C3CC3)s2)cnn1-c1cccc(C)c1 31891769 SWDRLXXBEDSXHQ-UHFFFAOYSA-N 353.451 3.724 0 40 FHAB C[C@@H](Sc1ncnc2c1cnn2C)C(=O)Nc1ccc2ccccc2c1 11681537 BXDLFDYCKKCEAB-GFCCVEGCSA-N 363.446 3.636 0 40 FHAB Cc1cc2nc(N3CCN(c4ccccc4F)CC3)c3ccccc3n2n1 7737971 AUWAELCICKVGTE-UHFFFAOYSA-N 361.424 3.657 0 40 FHAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2cccc(Cl)c2)NC(=O)N1 862550 LITGHWFRVBHBAX-QGZVFWFLSA-N 355.825 3.915 0 40 FHAB COc1cccc(-c2nnc(SCC(=O)OCc3ccccc3)o2)c1 882366 FAODTSKKYQDEPO-UHFFFAOYSA-N 356.403 3.581 0 40 FHAB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(NCCN(C)C)c23)CO1 2414055 XWAXCWGQTKUVOV-KRWDZBQOSA-N 366.556 3.628 0 40 FHAB Cc1cc(C)c(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c(C)c1 2648535 SYBLBACTHDXKQV-UHFFFAOYSA-N 374.506 3.633 0 40 FHAB Cc1cccc(-c2nc(CSc3nc4sccc4c(=O)n3C)no2)c1 32325127 YZINCWAEMBEVBJ-UHFFFAOYSA-N 370.459 3.646 0 40 FHAB CCCOc1ccc(C(=O)Nc2ccc(NC(=S)NC(C)=O)cc2)cc1 6241128 YYGZWLAYIYCYOX-UHFFFAOYSA-N 371.462 3.561 0 40 FHAB CCn1c(S[C@H](C(=O)N(C)C)c2ccccc2)nnc1-c1ccccc1 6846468 PXQFXESVUCZOBE-KRWDZBQOSA-N 366.490 3.887 0 40 FHAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Br)cc1 7262594 VIYJANUUYFEMNF-SNVBAGLBSA-N 364.195 3.584 0 40 FHAB COc1ccc(F)cc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1 10301953 SQVAZZYSCJPERM-UHFFFAOYSA-N 350.198 3.942 0 40 FHAB CC1=NN(c2ccc(C(=O)n3cccc/c3=N\C3CCCCC3)cc2)CC1 102391944 LNTDGYHFSBJAJV-XTQSDGFTSA-N 362.477 3.996 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2ccccc2OC)c1 8040968 CHZVETJBYITBMY-LLVKDONJSA-N 363.797 3.541 0 40 FHAB Cc1cccnc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 8340816 WZPKYQXCCQYOIY-UHFFFAOYSA-N 355.401 3.890 0 40 FHAB CCn1c(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)nc2ccccc21 21592649 SFPQNVAOHOBVRP-FQEVSTJZSA-N 374.444 3.959 0 40 FHAB CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(C)s2)NC(=O)N1C 2757435 TYWHDHAGOMVDHY-GOSISDBHSA-N 370.474 3.813 0 40 FHAB CC[C@H](c1nnnn1C(C)(C)CC)N1CCN(c2cccc(C)c2C)CC1 57669808 KWHJYBDMLGXOGW-GOSISDBHSA-N 370.545 3.708 0 40 FHAB COc1ccc(CCNC(=S)c2ccc(Br)cc2)cc1 9188118 CHQUUPIRTDVHIM-UHFFFAOYSA-N 350.281 3.966 0 40 FHAB O=C1CCc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2N1 9828271 PLEIITYPFCCWNL-UHFFFAOYSA-N 352.415 3.525 0 40 FHAB O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccc(Br)o1 22088073 BFDJVHLXAICASM-UHFFFAOYSA-N 372.222 3.969 0 40 FHAB COc1ccc([C@@H]2CCCN2CC(=O)N[C@H](C)c2ccc(F)cc2)cc1 103512164 PSPBAPPKMZWSEN-QRWLVFNGSA-N 356.441 3.849 0 40 FHAB CCc1noc(C)c1C(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C 8073169 BWBMFAWXKQCNNV-UHFFFAOYSA-N 352.438 3.620 0 40 FHAB CCOCc1cc(C(=O)N2CCc3[nH]c4ccccc4c3C2)ccc1OC 22601790 AZBBGCIOLKVGLW-UHFFFAOYSA-N 364.445 3.912 0 40 FHAB CCC[C@@H]1CO[C@](Cn2c[n+](CC)cn2)(c2ccc(Cl)cc2Cl)O1 896414 ZMIUUEUCMUEWIG-PBHICJAKSA-N 371.288 3.566 0 40 FHAB CCOc1ccc2c(c1)O[C@](c1ccc(OC)cc1)(C(F)(F)F)NC2=O 3180043 UGUBRTLAIXQRLT-QGZVFWFLSA-N 367.323 3.631 0 40 FHAB O=C1N[C@@H](c2cn(-c3ccccc3)nc2-c2ccncc2)Nc2ccccc21 12528233 LIEQRDLBTNYZFN-NRFANRHFSA-N 367.412 3.788 0 40 FHAB COc1cc2c(cc1OC)CN(Cn1cnc3cc(C)c(C)cc31)CC2 25765499 VTGVSHCIAXHFST-UHFFFAOYSA-N 351.450 3.686 0 40 FHAB O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCN1C(=O)C1CCCCC1 47892292 XFPYOYWQNJJDHS-XHSDSOJGSA-N 374.447 3.795 0 40 FHAB Cc1ccc(NC(=O)[C@@H](NCc2nnc3ccccn23)c2ccccc2)cc1 57383556 HBDOMMDNOPKSHA-NRFANRHFSA-N 371.444 3.507 0 40 FHAB CCC(=O)c1ccc(OCC(=O)Nc2cc(C(=O)O)ccc2Cl)cc1 8129629 LQQJDYQGGMEDCP-UHFFFAOYSA-N 361.781 3.648 0 40 FHAB CC(C)Oc1nnc(SCC(=O)N[C@H](c2ccccc2)C2CC2)s1 58201157 GRTVABIEEAGELU-OAHLLOKOSA-N 363.508 3.685 0 40 FHAB CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc(C)oc2C)c1C 58249862 OUWQXARZLBBDLE-UHFFFAOYSA-N 350.440 3.609 0 40 FHAB COc1ccc(-c2nc(CCNC(=O)c3ccc(F)cc3)cs2)cc1 27993619 BZOSFAZTXHGMPX-UHFFFAOYSA-N 356.422 3.930 0 40 FHAB Cc1cc(C(=O)N[C@@H](C)c2ccccn2)c2c(C)nn(C(C)(C)C)c2n1 48277236 MZHNRYPFBRTPTN-ZDUSSCGKSA-N 351.454 3.689 0 40 FHAB O=C(COC(=O)Cc1c(Cl)cccc1Cl)Nc1cccc(F)c1 3488618 WWRFWICDSNITLK-UHFFFAOYSA-N 356.180 3.857 0 40 FHAB CC[C@@H](C)n1nccc1NC(=O)[C@H](C)OC(=O)c1cc2ccccc2[nH]1 3429923 QSZHHNXGGHJIIS-OLZOCXBDSA-N 354.410 3.519 0 40 FHAB O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1cn2ccccc2n1 61056455 GIGHEIJGANBEOL-UHFFFAOYSA-N 353.385 3.901 0 40 FHAB COc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)C(=O)CCC3 5243340 ZPSSDAWROKAQLF-UHFFFAOYSA-N 367.430 3.658 0 40 FHAB CCOc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccccc1OC 20029960 ANXZJFHKPRJIEE-GFCCVEGCSA-N 369.870 3.787 0 40 FHAB O=c1oc2ccccc2cc1-c1nn2c(Cc3ccccc3)nnc2s1 4539874 MTBINDOCWCKJAV-UHFFFAOYSA-N 360.398 3.550 0 40 FHAB Cc1cccc(OCCCN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)c1 14242943 RMIBLORARDERKU-HXUWFJFHSA-N 370.474 3.609 0 40 FHAB C[C@@H](Sc1nnc(Cc2ccccc2)n1C)C(=O)c1ccc(F)cc1 5499593 LIEDPLFAVODLJX-CYBMUJFWSA-N 355.438 3.909 0 40 FHAB CCOc1ccccc1NC(=O)CCn1c(=O)oc2ccc(Cl)cc21 6764579 YSPMDVYOQBWOMJ-UHFFFAOYSA-N 360.797 3.675 0 40 FHAB C[C@@H](Sc1nc2ncccn2n1)C(=O)Nc1ccc(Cl)cc1Cl 8982128 AFDZFUWFOMVIRQ-MRVPVSSYSA-N 368.249 3.550 0 40 FHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CCNC(=O)c1ccccc1 15094387 IWZURQYSMPWRCZ-CQSZACIVSA-N 367.474 3.636 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c(C)c1 409380484 FLBMAGKCVGZOMP-QGZVFWFLSA-N 374.506 3.713 0 40 FHAB COc1ccccc1OCC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 8775127 OLAFRYKFGULDKQ-LBPRGKRZSA-N 353.340 3.970 0 40 FHAB COc1cc(-c2nc(-c3ccc4cc[nH]c4c3)no2)cc(OC)c1OC 9134071 LVJZLFBPIOASQE-UHFFFAOYSA-N 351.362 3.911 0 40 FHAB Cc1nn(-c2ccccc2)c(Cl)c1CN1C(=O)CC2(CCCC2)C1=O 9389432 YJROSZKWOYIACC-UHFFFAOYSA-N 357.841 3.653 0 40 FHAB O=C(CCCc1nc(-c2ccccc2)no1)NCCc1c[nH]c2ccccc12 9419549 RPPHWBDRVPNQFA-UHFFFAOYSA-N 374.444 3.900 0 40 FHAB COc1cc([C@H]2NC(=O)CN2Cc2ccc(-c3ccccc3)cc2)ccc1O 95376607 LOOFJVFGWSNGCG-QHCPKHFHSA-N 374.440 3.698 0 40 FHAB Cc1ccc(CNC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)cc1 98211316 ABBLMTRJOMXUSI-UHFFFAOYSA-N 372.428 3.830 0 40 FHAB COc1ccc(C)nc1NC(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2 95963069 LIOBBDKAFXLGMN-UHFFFAOYSA-N 362.433 3.634 0 40 FHAB CC[C@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccc(C)cc1 25046634 JDUWVSFAAUTEEB-SFHVURJKSA-N 363.461 3.822 0 40 FHAB CCOc1ccc([C@H](C)NC(=O)CCc2ccc(OC)c(OC)c2)cc1 22518794 YACNZDKKNKYEFR-HNNXBMFYSA-N 357.450 3.913 0 40 FHAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1c[nH]c2ccccc12 8922563 NEXFHCWAPKPBII-LJQANCHMSA-N 362.429 3.959 0 40 FHAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1cccnc1 33096173 DIYMJNQTIUSVBE-OAHLLOKOSA-N 364.232 3.632 0 40 FHAB O=C(CC1(Cn2cccc2)CCCCC1)N1CC[C@]2(O)CCCC[C@H]2C1 524733514 PUIGLWGXQPGCPF-SIKLNZKXSA-N 358.526 3.982 0 40 FHAB Cc1cc(-c2nn3c(-c4cccc(Cl)c4Cl)nnc3s2)n(C)n1 36354044 KLELNTIWWCNCOG-UHFFFAOYSA-N 365.249 3.869 0 40 FHAB C[C@@H]1C[C@H](OC[C@H](O)CN2C(C)(C)CC(O)CC2(C)C)CC(C)(C)C1 35031466 DBIRBMRBTJPLEL-NXHRZFHOSA-N 355.563 3.593 0 40 FHAB O=C(NCc1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2)CC1 36171511 YSXHTUMSKOIBJW-UHFFFAOYSA-N 356.853 3.509 0 40 FHAB COc1ccccc1CNc1nc(NCc2ccccc2)c2nccnc2n1 31818538 JSWFGULTAADNKF-UHFFFAOYSA-N 372.432 3.653 0 40 FHAB COc1ccc(SCC(=O)Nc2ccc(-n3nc(C)cc3C)nc2)cc1 31217391 HQGCIRZIPSQHSO-UHFFFAOYSA-N 368.462 3.624 0 40 FHAB COc1ccc(-c2cc3c(=O)n(Cc4cccc(Cl)c4)ccn3n2)cc1 64977399 WZKUVFRKJZOGOF-UHFFFAOYSA-N 365.820 3.873 0 40 FHAB CC[C@@H](NC(=O)N[C@@H](Cc1ccccc1)CN(C)C)c1ccc(OC)cc1 71999556 QMSWBSSPARRCIM-PZJWPPBQSA-N 369.509 3.618 0 40 FHAB COc1ccc(C)cc1CN(C)C(=O)c1ccc(OC)c(OC(F)F)c1 48364113 PCDMYHIQJDKFQX-UHFFFAOYSA-N 365.376 3.886 0 40 FHAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(CN3CCCC3)cc2)cc1 44852955 SLDYUOIDNUWBJW-SFHVURJKSA-N 352.478 3.788 0 40 FHAB CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(F)c1 222751107 JKAOUVSEGKAWDZ-ZWKOTPCHSA-N 352.438 3.614 0 40 FHAB Cc1cccnc1NC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 49546065 FBDBKZKSSCQFDZ-UHFFFAOYSA-N 361.380 3.758 0 40 FHAB CCOc1ccc(-c2noc(CNC(=S)Nc3ccc(F)cc3)n2)cc1 225831386 BUPHTJZISYRNJR-UHFFFAOYSA-N 372.425 3.761 0 40 FHAB Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1C[C@@H]1CCCO1 223294266 JPDOXEMRVZTBDI-CWRNSKLLSA-N 359.520 3.603 0 40 FHAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CC 223361289 BXJHHACSMWTYQF-LJQANCHMSA-N 372.896 3.826 0 40 FHAB COC(=O)c1cc(S(=O)(=O)Nc2cccc3ccccc23)ccc1C 223796474 QHRCTLDAMPQVGC-UHFFFAOYSA-N 355.415 3.736 0 40 FHAB CCOC(=O)c1cc(NC(=O)[C@](C)(OC)C2CC2)ccc1OCC(C)C 225812407 IYFNNYDFNZYGLC-HXUWFJFHSA-N 363.454 3.652 0 40 FHAB O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1cccc2cc(O)ncc12 528192949 IEVPWANIBUNSCS-LAUBAEHRSA-N 362.429 3.838 0 40 FHAB COc1ccc(NC(=S)NCc2nc(-c3ccccc3C)no2)cc1 225828362 REUPMDWGVRCOHJ-UHFFFAOYSA-N 354.435 3.540 0 40 FHAB COc1cc(C)c(S(=O)(=O)NCCCOC2CCCC2)cc1C(C)C 224501606 DAQXPUCOOICKMO-UHFFFAOYSA-N 369.527 3.755 0 40 FHAB Cc1cccc(NC(=O)N2CC[C@]3(CCCN(CC4CCOCC4)C3)C2)c1 96215421 JGFCKIPIEQYGFH-QFIPXVFZSA-N 371.525 3.741 0 40 FHAB Cc1cccc(OCC(=O)NCc2nc(-c3ccccc3Cl)no2)c1C 96246901 MCQCZDAWBWZEPE-UHFFFAOYSA-N 371.824 3.702 0 40 FHAB O=C1CCCc2ccccc2N1CC(=O)N(c1ccccn1)C1CCCC1 330266683 HTEXFLMIVACYJG-UHFFFAOYSA-N 363.461 3.727 0 40 FHAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(C(=O)CC2=CCCCC2)C3)n1 247858332 DSUVBHUSFRFXSW-HXUWFJFHSA-N 370.493 3.557 0 40 FHAB Fc1ccccc1Cc1cnc([C@H]2CCCN(Cc3cnccn3)C2)o1 257331632 XTQPXPJVEHXUGG-INIZCTEOSA-N 352.413 3.574 0 40 FHAB Cc1noc(C)c1-c1cc(CC2CCN(Cc3nccs3)CC2)ncn1 257212955 CFOZFQRNWNXGIG-UHFFFAOYSA-N 369.494 3.660 0 40 FHAB Cc1ccc2c(c1)OC1(CCN(Cc3c[nH]cn3)CC1)[C@H]1CCCO[C@H]21 257270877 MVZXZFSXWOIURO-AZUAARDMSA-N 353.466 3.613 0 40 FHAB CC(C)(C)C(=O)N1CC[C@@H](Cc2cccc(-c3ccccc3C(=O)O)n2)C1 257238783 HMNCBCJXYHNBAE-HNNXBMFYSA-N 366.461 3.884 0 40 FHAB NCc1cccc(-c2cccnc2C(=O)NCc2cccc(Cl)c2)c1 257267822 MIXFNHNZMFUWCD-UHFFFAOYSA-N 351.837 3.791 0 40 FHAB COc1cc(Cl)c(C)cc1N[C@@H](C(=O)N1CCOCC1)c1ccccc1 57748424 KOEWXQPLIJLKHQ-LJQANCHMSA-N 374.868 3.669 0 40 FHAB CCn1nc(C)c(C(=O)OCC2CCN(Cc3ccco3)CC2)c1Cl 89300136 MTJCVWGEDQSQCG-UHFFFAOYSA-N 365.861 3.527 0 40 FHAB CCc1nc(-c2ccccc2NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)n[nH]1 677366717 VGBCMYKTCDETJN-KSFYIVLOSA-N 374.444 3.713 0 40 FHAB CC(=O)Nc1c(Cl)cc(I)cc1C(F)(F)F 19721214 VWEWLTOQJYLCNB-UHFFFAOYSA-N 363.504 3.922 0 40 FHAB COc1ccccc1NC(=O)CSCC(=O)Nc1cccc(C)c1C 5556001 CIKIRYPALNYHAD-UHFFFAOYSA-N 358.463 3.622 0 40 FHAB O=S(=O)(NCc1cccnc1)c1cc(Cl)c(Cl)cc1Cl 5740855 SHDLSKQVIYBEHT-UHFFFAOYSA-N 351.642 3.520 0 40 FHAB O=C(NCc1nc(-c2ccccc2)no1)c1ccnc2ccc(Cl)cc12 12202672 IWPKFTFOGOQTFP-UHFFFAOYSA-N 364.792 3.868 0 40 FHAB COc1ccc(S(=O)(=O)NCCCc2cccc(C)c2)cc1Cl 13631951 ZMHWLEMTYVSLPG-UHFFFAOYSA-N 353.871 3.568 0 40 FHAB COc1cccc(OC)c1C(=O)NCCCc1cccc(OC(C)C)c1 13674983 DARDACZIKJYCMD-UHFFFAOYSA-N 357.450 3.854 0 40 FHAB CCOc1ccc(Cl)cc1/C=C1/NC(=O)N(Cc2ccc(F)cc2)C1=O 15012204 PLTJCBVCSCKGRM-MHWRWJLKSA-N 374.799 3.971 0 40 FHAB CC(C)C(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cs1 15935805 RAFMFMPYYYMDTK-UHFFFAOYSA-N 355.463 3.704 0 40 FHAB CCOc1ccc(-n2nnnc2SCC(=O)c2ccc(C)cc2C)cc1 16739965 ZZHWXGYCSXPHGX-UHFFFAOYSA-N 368.462 3.653 0 40 FHAB Cc1ccc(-c2noc(CCC(=O)N[C@@H](C)c3ccc(F)cc3)n2)cc1 17916589 TTZVAOFXIJZGBU-AWEZNQCLSA-N 353.397 3.994 0 40 FHAB O=C(Cc1cccc(F)c1)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1 19293719 OPFSKDOBSXMAJY-LJQANCHMSA-N 364.424 3.907 0 40 FHAB O=C(Cc1ccc2c(c1)CCCC2)NCc1nnc(-c2cccs2)o1 19344895 SODYBVMBTNQWCF-UHFFFAOYSA-N 353.447 3.536 0 40 FHAB COc1ccc([C@H](O)c2nc(-c3ccncc3)cc3ncccc23)cc1OC 19559925 NXIBHRSJNUXHJS-QFIPXVFZSA-N 373.412 3.791 0 40 FHAB O=C(/C=C/c1ccc(Cl)cc1Cl)NC[C@@H]1COc2ccccc2O1 6260970 FZGZSUKFSXOSLD-IZPAUZPXSA-N 364.228 3.963 0 40 FHAB CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)CCc1ccccc1 19589222 IVNPAQFTMIWDNN-MQSCRBSSSA-N 366.480 3.847 0 40 FHAB CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3ccc4c(c3)CCC4)ccc21 28884808 IGHBIOCPFLOZJF-AWEZNQCLSA-N 363.461 3.523 0 40 FHAB Cc1ccc(C[C@@H]2CC(=O)N([C@H](C)c3ccc(-n4ccnc4)cc3)C2=O)cc1 1432246 XBSWHCIBLCFYRB-YLJYHZDGSA-N 373.456 3.860 0 40 FHAB Cc1ccc(C)c2sc(NC(=O)CCS(=O)(=O)c3ccccc3)nc12 4325703 DGXDXSINRTXQFI-UHFFFAOYSA-N 374.487 3.716 0 40 FHAB COc1ccc(-c2cn3c(C(=O)Nc4cc(C)on4)csc3n2)cc1 11902231 VVKHGLVGYMDZRF-UHFFFAOYSA-N 354.391 3.620 0 40 FHAB O=C(c1nccc2ccccc12)N1CCC[C@@H](Oc2ccncc2Cl)C1 575612216 JKCVUWMPUQYHFY-OAHLLOKOSA-N 367.836 3.967 0 40 FHAB CC(C)COc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2)cc1 5844262 TXIWMAVKMXZGQF-UHFFFAOYSA-N 372.446 3.546 0 40 FHAB C/C=C(/C)C(=O)OC(C)(C)[C@H]1Oc2ccc3ccc(=O)oc3c2[C@@H]1OC 2332242400 ODPYKDPJFRUNGU-MKWBBVNXSA-N 358.390 3.530 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c1C 40056830 JIDDRQANQSOFDB-ZDUSSCGKSA-N 354.406 3.998 0 40 FHAB O=C(NCc1ccc(NC(=O)c2ccco2)cc1)NCc1ccccc1F 11551266 CUVBTHDPSGOJPD-UHFFFAOYSA-N 367.380 3.670 0 40 FHAB CCOc1ccccc1CNC(=O)c1nnn(-c2cccc(Cl)c2)c1C 51317634 PPCUGTUBHGHMSJ-UHFFFAOYSA-N 370.840 3.558 0 40 FHAB Cc1ccc2c(c1)[C@@](O)(CC(=O)c1ccc(Cl)cc1Cl)C(=O)N2 1320322 LMRRUBSCEKRCHY-KRWDZBQOSA-N 350.201 3.715 0 40 FHAB COc1ccc(C(=O)N(Cc2cccc3[nH]ccc23)C2CC2)cc1OC 32090651 FSAZCXBNHDIWRX-UHFFFAOYSA-N 350.418 3.990 0 40 FHAB COC(=O)c1c(C)[nH]c(-c2ccco2)c1[C@H]1C(=O)Nc2ccc(C)cc21 32089747 PLBOQQUINIVQCP-INIZCTEOSA-N 350.374 3.762 0 40 FHAB CCOc1ccccc1N1C[C@H](C(=O)Nc2cc(C)ccc2C)CC1=O 3478892 URJIHVWWZTWARH-MRXNPFEDSA-N 352.434 3.694 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)N1CCCC1 8041140 YIVDOUUMAXFOBG-GOSISDBHSA-N 370.424 3.858 0 40 FHAB O=c1c(Cl)c(NCc2ccccn2)cnn1C12CC3CC(CC(C3)C1)C2 4909699 ZHGVZBDYMISFSI-UHFFFAOYSA-N 370.884 3.829 0 40 FHAB COc1ccc2oc(C(=O)Nc3ccc(N4CCOCC4)cc3)c(C)c2c1 6248704 GPTZAVXRUZUCEA-UHFFFAOYSA-N 366.417 3.839 0 40 FHAB CCOC(=O)Nc1cccc(OCC(=O)Nc2ccccc2OCC)c1 2621790 BYTUHLZPINGFGK-UHFFFAOYSA-N 358.394 3.671 0 40 FHAB Cc1cccc(C(=O)N[C@H](C(=O)N2CCC[C@@H](C(F)(F)F)C2)C(C)C)c1 32721294 ZJHHXACZILTJCW-CVEARBPZSA-N 370.415 3.550 0 40 FHAB CC(=O)c1ccc(N2CCN(C(=O)NCCCC3CCCC3)CC2)cc1 32779753 MGIGAIRUSGYMRK-UHFFFAOYSA-N 357.498 3.691 0 40 FHAB CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(Br)cc1 8300475 ZVTILUSQLGIBAF-HEHGZKQESA-N 366.303 3.691 0 40 FHAB biogenic,in-vitro O=C(COC(=O)c1cc(Cl)c2c(c1)OCO2)c1ccc2c(c1)CCC2 21461548 NXCJJRRBFLCRIE-UHFFFAOYSA-N 358.777 3.597 0 40 FHAB CNS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(C)C)cc(C)c1C 32901651 SIANDENFJQNFNG-UHFFFAOYSA-N 360.479 3.587 0 40 FHAB CCN(CC)[C@H](CNC(=O)c1oc2c(c1C)C(=O)CCC2)c1ccccc1 32921970 MZDIGOCTLZGFPY-QGZVFWFLSA-N 368.477 3.920 0 40 FHAB Cc1ccc(OCCNC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1C 9235382 CAIKVVJYEIHKLA-UHFFFAOYSA-N 354.450 3.561 0 40 FHAB CC(=O)c1cc2c(cc1NC(=O)[C@H](C)Oc1ccc(C)cc1C)OCO2 683066 SBOJSRKAGCVCCO-AWEZNQCLSA-N 355.390 3.641 0 40 FHAB O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc2nsnc2c1 59294312 FLUKIKJAYWWPSU-UHFFFAOYSA-N 364.386 3.789 0 40 FHAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3ccncc3)o2)CC1)c1cccs1 100155781 FHONOURZDFKWDS-OKILXGFUSA-N 368.462 3.897 0 40 FHAB Cc1nnc(CN(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)n1C 47541485 NTYLXHDZCAZAOH-OAHLLOKOSA-N 363.465 3.569 0 40 FHAB CCc1ccc(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 23879754 RSKMDBAYMAOLMC-SFHVURJKSA-N 352.482 3.587 0 40 FHAB CN(Cc1csc(-c2cccs2)n1)Cc1nc2ccccc2c(=O)[nH]1 23873182 WYKGKGQUFCBTLW-UHFFFAOYSA-N 368.487 3.740 0 40 FHAB CN(Cc1nc2ccccc2s1)C(=O)c1cccc(NC(=O)C2CC2)c1 24073509 FPQBIGWYVOPXTQ-UHFFFAOYSA-N 365.458 3.917 0 40 FHAB CC[C@@H]1c2ccsc2CCN1C(=O)C[C@@H](C)NC(=O)c1ccccc1 24277197 MTAQFIKVGHLMLS-RHSMWYFYSA-N 356.491 3.793 0 40 FHAB Cc1c(C(=O)OCCCN2C(=O)c3ccccc3C2=O)oc2ccccc12 24728106 KNPSLKZXMSDHHA-UHFFFAOYSA-N 363.369 3.584 0 40 FHAB CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)OC)cc1OCC 20106802 OOKZSBKBYGKBGV-UHFFFAOYSA-N 371.433 3.842 0 40 FHAB CCc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 12532773 ZPCMRMDQLYCPFA-UHFFFAOYSA-N 366.461 3.687 0 40 FHAB Cc1ccc(/C=C/C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c(C)c1 25458436 ZWTRVIRJMNAPSG-UCFODXPJSA-N 370.518 3.568 0 40 FHAB CCc1cc(OC(=O)c2ccc(N3C(=O)CCC3=O)cc2)ccc1Cl 24017645 KQGQAJHMKWZAOM-UHFFFAOYSA-N 357.793 3.775 0 40 FHAB CN(C)[C@H](CNC(=O)c1cc(Cl)c(O)c(Cl)c1)c1ccccc1 25777209 FLRIXOUFPCSHLT-OAHLLOKOSA-N 353.249 3.732 0 40 FHAB C[C@@H](NC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)C1CC1 56802329 JVJXIILMDBTEEA-CYBMUJFWSA-N 370.415 3.851 0 40 FHAB O=C(NCCCn1ccc2ccccc21)Nc1cccc(-c2nnco2)c1 44085301 JJDYTHUWVUWJSO-UHFFFAOYSA-N 361.405 3.903 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCCc1cccc(OC)c1 20050184 UOMTZRUSZPCKNX-HXUWFJFHSA-N 357.450 3.610 0 40 FHAB CCN(Cc1cccc(NC(=O)N[C@@H]2CCOc3ccccc32)c1)C(C)=O 44378603 JOAAZHCDBUJWTR-LJQANCHMSA-N 367.449 3.700 0 40 FHAB Cc1cccc(C(=O)N[C@H](NCc2ccco2)C(Cl)(Cl)Cl)c1 19315682 NXQDXAISZJCKNM-AWEZNQCLSA-N 361.656 3.804 0 40 FHAB COc1ccc(NC(=O)COC(=O)C2(c3ccccc3F)CCCC2)cc1 3232097 UUPDXJGGJSXBQX-UHFFFAOYSA-N 371.408 3.828 0 40 FHAB Cc1ccc(OCCCCNC(=O)c2cccnc2N2CCCCC2)cc1 58052180 AYYXAQNFFGDVKU-UHFFFAOYSA-N 367.493 3.969 0 40 FHAB Cc1nnc(NC(=O)N2CC=C(c3c(C)[nH]c4ccccc34)CC2)s1 58184041 RBDCSPLQLZMHDV-UHFFFAOYSA-N 353.451 3.957 0 40 FHAB COc1ccc(NC(=O)NCc2cccc(COCc3ccco3)c2)cn1 48018614 CWPZDQKMOAMXEA-UHFFFAOYSA-N 367.405 3.722 0 40 FHAB O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc(-n2cccn2)cc1 11212106 RFHXKACHFIAJGM-UHFFFAOYSA-N 372.384 3.970 0 40 FHAB COc1ccc(NC(=O)COC(=O)c2ccc(C)c(F)c2)cc1Cl 8259572 JBKUYKKBOWFELJ-UHFFFAOYSA-N 351.761 3.592 0 40 FHAB CCCN1C(=O)N[C@H](c2ccccc2C(F)(F)F)C(C(=O)OC)=C1C 12766585 BQMSEGRKHXOABV-CQSZACIVSA-N 356.344 3.629 0 40 FHAB COc1cccc([C@@H]2CCCN2CC(=O)N[C@@H](C)c2ccc(F)cc2)c1 12777497 JWDGLKJAHHKIRI-YWZLYKJASA-N 356.441 3.849 0 40 FHAB Cc1nn(C(C)C)c(C)c1NC(=O)Nc1cccc(Cn2ccnc2)c1 48373947 OXOFOHINDCWXTC-UHFFFAOYSA-N 352.442 3.970 0 40 FHAB CCCOc1cccc(NC(=O)CCC(=O)N2CCc3sccc3C2)c1 48369139 CPHKZWQXOSUNBX-UHFFFAOYSA-N 372.490 3.841 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nncn2-c2ccccc2)c1 3452605 QDSGNOCEOQLCNP-CQSZACIVSA-N 366.446 3.589 0 40 FHAB O=C(NCc1ccccc1Cl)C1CCN(C(=O)c2ccc(F)cc2)CC1 3411388 VSORRXZNFBJBMB-UHFFFAOYSA-N 374.843 3.648 0 40 FHAB O=C(Nc1ccccc1Oc1ccccc1)c1cccc(-n2cnnn2)c1 8389815 DQWRQBMTVPQJNA-UHFFFAOYSA-N 357.373 3.707 0 40 FHAB CSc1ccc(Cl)c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 13011042 KAYASQAMDFHATP-UHFFFAOYSA-N 355.868 3.718 0 40 FHAB O=C(OCc1cc(Cl)cc2c1OCOC2)C1C[C@@H]2CCC[C@H](C1)C2=O 13095441 ZPMFFKYCJCSAQC-FUNVUKJBSA-N 364.825 3.645 0 40 FHAB Cc1cc(C)n(-c2ccc(CN3C(=O)NC4(CCCCCC4)C3=O)cc2)n1 8315497 HDWIOTJNRFUNSK-UHFFFAOYSA-N 366.465 3.634 0 40 FHAB O=C(CCc1ncc(-c2ccccc2Cl)o1)NO[C@@H]1CCCCO1 69417030 HAYQCHZITYLXFX-QGZVFWFLSA-N 350.802 3.502 0 40 FHAB COc1ccc(C(=O)Nc2sc3c(c2C(=O)O)CC(C)(C)OC3)cc1 4173621 VFSOHMZICXMFJU-UHFFFAOYSA-N 361.419 3.559 0 40 FHAB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(F)cc3)n2)cc1 8483940 IEWKIAUPOXNFHK-UHFFFAOYSA-N 356.426 3.904 0 40 FHAB O=C(C[C@@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1ccc(F)cc1 5216330 YGOQFHVBTMRWTH-INIZCTEOSA-N 354.164 3.545 0 40 FHAB CCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(C(C)=O)c1)C2=O 5309368 WDUKTPGCKQYDOR-UHFFFAOYSA-N 365.385 3.647 0 40 FHAB O=C(Nn1c(-c2cccc(F)c2)n[nH]c1=S)c1ccc2ccccc2n1 14167221 PABFODWTEGOQHQ-UHFFFAOYSA-N 365.393 3.679 0 40 FHAB COc1cccc(OC)c1OC(=O)c1ccc(-n2nc(C)cc2C)cc1 6790551 SDFCWVFMFLEUNX-UHFFFAOYSA-N 352.390 3.726 0 40 FHAB COCc1c(C(=O)N2CCCC[C@@H]2CN(C)C)sc2cccc(F)c12 66948785 KSWLYYZXZSKPKO-CYBMUJFWSA-N 364.486 3.743 0 40 FHAB O=C(Cc1ccccc1C(=O)O)Nc1[nH]ncc1-c1ccc(Cl)cc1 71289032 QOWJQONNPCUFTO-UHFFFAOYSA-N 355.781 3.610 0 40 FHAB O=C(c1cccs1)N1CCC(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)CC1 7626822 ONBGKXQAKILJKE-NVXWUHKLSA-N 360.523 3.639 0 40 FHAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCc1ccccc1F 7802440 MIWLDRKPWSPOBK-UHFFFAOYSA-N 363.388 3.966 0 40 FHAB CC1CCN(CCCNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)CC1 20453113 NLXBETFWECSZLA-HXUWFJFHSA-N 371.569 3.770 0 40 FHAB COc1cc(CN(Cc2ccccc2)[C@@H](CO)C(C)C)cc(OC)c1OC 93529967 QJFTWBDUANZXQF-IBGZPJMESA-N 373.493 3.732 0 40 FHAB COc1ccc2ccccc2c1CNC(=O)c1ccc(-c2ccco2)[nH]c1=O 71839143 RJMRBEYVGMARRB-UHFFFAOYSA-N 374.396 3.727 0 40 FHAB CCCC1=NN(C(=O)CSCc2ccccc2)[C@](O)(C(F)(F)F)C1 409343043 CMVFTNZJRGUYML-OAHLLOKOSA-N 360.401 3.559 0 40 FHAB O=C(Nc1ccc(OC2CCCC2)cc1)N1CCC[C@@H](c2nc[nH]n2)C1 72313736 CKQRZDYLRVDWIK-CQSZACIVSA-N 355.442 3.538 0 40 FHAB O=C(Nc1cnn(-c2ccccc2)c1)c1ccc(N2CCCCC2=O)cc1 84576670 HZXRQURXHAGNTG-UHFFFAOYSA-N 360.417 3.642 0 40 FHAB Cn1cc([C@@H](Nc2cc(-c3ccccc3)nc3ncnn23)C(C)(C)C)cn1 95409782 AGIYPYQGURDDHZ-GOSISDBHSA-N 361.453 3.724 0 40 FHAB CC[C@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCN1C[C@@H](C)O 95404814 UCHGZMFBWCEKSC-UTKZUKDTSA-N 367.493 3.663 0 40 FHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@H]2C[C@H]2C2CCCCC2)c1 95939134 DZHCMHHFHPDQNA-XLIONFOSSA-N 371.481 3.550 0 40 FHAB Cc1n[nH]c(C)c1[C@H](C)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 95956574 PGWPGHBSEXZLGG-SCLBCKFNSA-N 374.916 3.737 0 40 FHAB COc1cccc(OC)c1CC(=O)Nc1cc(C)nn1-c1ccccc1C 95964969 BPUDJUPCWLXDMS-UHFFFAOYSA-N 365.433 3.688 0 40 FHAB Cc1c(C(=O)NCCc2ccncc2)cnn1-c1cccc(C(F)(F)F)c1 78954491 NOYXFSVAXNJCAC-UHFFFAOYSA-N 374.366 3.567 0 40 FHAB CC(C)(C)OC(=O)[C@@H](NC(=O)CCOc1ccccc1F)c1ccccc1 89694278 NWUGLCCLJLJIIX-IBGZPJMESA-N 373.424 3.794 0 40 FHAB O=C(Cc1cccs1)Nc1ccccc1C(=O)NCCc1ccccc1 20988965 XCCGOWWJMSOOQX-UHFFFAOYSA-N 364.470 3.902 0 40 FHAB CCCCC1=NN(C(=O)CSCc2ccccc2)[C@@](O)(C(F)(F)F)C1 409359768 NNNAZEJKJGBLAR-INIZCTEOSA-N 374.428 3.949 0 40 FHAB O=C(NCc1ccc(Br)s1)c1cncn1-c1ccccc1 25473107 HQEFZMKDGHNXMH-UHFFFAOYSA-N 362.252 3.626 0 40 FHAB CSc1cccc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3N=C2O)c1 32123996 BFDPRRHCYKCKBD-INIZCTEOSA-N 369.446 3.527 0 40 FHAB biogenic CCOc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1C 32585459 BZLYNDKZNVHCLQ-UHFFFAOYSA-N 370.268 3.957 0 40 FHAB Cc1cc2nc([C@H]3CCCN(Cc4ccc(Cl)cc4)C3)cc(N)n2n1 72339776 CRZQYZPFWYWQPQ-HNNXBMFYSA-N 355.873 3.653 0 40 FHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1nc(-c2cccs2)no1 219334108 JQSPHFVFMKMAQS-HNNXBMFYSA-N 371.462 3.889 0 40 FHAB COC(=O)C[C@H](NC(=O)/C=C/c1ccc2ccccc2n1)c1cccc(C)c1 1535844885 AGMKXVHYRHYWGV-IWGBCORSSA-N 374.440 3.977 0 40 FHAB O=C(NCc1ccc(-n2ccnc2)nc1)c1ccc(-c2ccccc2)cc1 33044952 FJUMEHORBKIZIC-UHFFFAOYSA-N 354.413 3.864 0 40 FHAB O=c1c2sccc2nc(SCCN2CCCC2)n1-c1ccccc1 31814863 IZAKJRODKCPFPP-UHFFFAOYSA-N 357.504 3.635 0 40 FHAB O=C(NC[C@@H](O)Cc1ccccc1)NC(c1ccccc1)c1ccccc1 70639484 OZJDMEZVZPEZAU-NRFANRHFSA-N 360.457 3.679 0 40 FHAB N[C@H]1C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccccc1Cl 72227304 AULXWCWDQOFAMG-ZIAGYGMSSA-N 351.631 3.518 0 40 FHAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1nc(-c2ccccc2)no1 223001898 GZAOMGXBBXRSKA-GOSISDBHSA-N 365.433 3.827 0 40 FHAB CCOC(=O)Cc1ccc(NC(=O)c2conc2-c2ccccc2)cc1 225869911 UMJMUDKLWWWTCW-UHFFFAOYSA-N 350.374 3.700 0 40 FHAB COc1ccc(-c2nnc(NC(=O)COc3cccc(C)c3)s2)cc1 136409557 JJSZBLSZICDNKN-UHFFFAOYSA-N 355.419 3.540 0 40 FHAB Cc1cccc2c(=O)[nH]c(CN[C@H](C)c3ccccc3Br)nc12 49597285 UWVWUZVYKCAKMA-GFCCVEGCSA-N 372.266 3.845 0 40 FHAB Cc1cc(C)c(S(=O)(=O)n2cnc3ccccc32)cc1Br 41091697 YECKRCFQHZTKSV-UHFFFAOYSA-N 365.252 3.653 0 40 FHAB O=C(Nc1cccc(I)n1)c1ccc(Cl)cc1 89229016 GBDJXFQLRXHCLJ-UHFFFAOYSA-N 358.566 3.592 0 40 FHAB COCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cn1 225884861 QFGYLFWFHJCWGI-UHFFFAOYSA-N 352.475 3.523 0 40 FHAB COC(=O)c1cc(NC(=O)C2(OC)CCCCCC2)ccc1OC(C)C 225806160 BXBWTSFQDDVYSN-UHFFFAOYSA-N 363.454 3.938 0 40 FHAB Cc1ccc(OCC(=O)Nc2c(C)cc3nc(NN)sc3c2C)cc1 45889998 NHOAINSXNXNDOH-UHFFFAOYSA-N 356.451 3.525 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CSc1ccccc1 222967187 VEHBJIQLUVJKCV-LJQANCHMSA-N 370.518 3.641 0 40 FHAB CCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 96590507 HSTBNIQZWRFKJK-GOSISDBHSA-N 366.461 3.853 0 40 FHAB O=C(N[C@@H]1CCCc2c1[nH]c1ccccc21)c1cc(=O)[nH]c2ccccc12 96231749 XHBPKCCCRKNCQV-LJQANCHMSA-N 357.413 3.817 0 40 FHAB O=C(Cc1ccccc1Cl)NCCn1nc(C(F)(F)F)cc1C1CC1 96103733 LSSOLFABWKXCOZ-UHFFFAOYSA-N 371.790 3.792 0 40 FHAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)C(C)(C)OC)o2)c1 257219703 DHUGGIOMDJUOAO-SFHVURJKSA-N 372.465 3.753 0 40 FHAB Cc1cccnc1Nc1cc([C@@H]2CCCN(Cc3cn(C)cn3)C2)ccn1 257267961 MJSCVEIORYBXLQ-GOSISDBHSA-N 362.481 3.642 0 40 FHAB CC(=O)N1CCC[C@@H](Cc2nccnc2-c2cnc(CC(C)C)s2)C1 257236885 HEEOGZYMCIEKPW-HNNXBMFYSA-N 358.511 3.600 0 40 FHAB Cc1nccc(N2CCC[C@@H](c3ncc(Cc4ccccc4F)o3)C2)n1 257234476 GTQUBFFJHGDCEZ-MRXNPFEDSA-N 352.413 3.887 0 40 FHAB Fc1cccc(F)c1-n1ccc(COc2ccc3c(c2)OCCCO3)n1 677043474 QHZFSLGCRKAGDU-UHFFFAOYSA-N 358.344 3.891 0 40 FHAB CCN1CC2(CCN(C(=O)Cc3cccc(F)c3)CC2)c2ccccc21 585104037 KSYPFHOYAJYPRH-UHFFFAOYSA-N 352.453 3.769 0 40 FHAB COc1ccc(C)cc1CN(C)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 47060332 ARYXOHYPACGPNA-UHFFFAOYSA-N 369.446 3.587 0 40 FHAB Clc1cncc(Cl)c1CN[C@H]1CCO[C@@H]1c1cnn(CC2CC2)c1 1550134959 NRDYFGAROXEXSS-DLBZAZTESA-N 367.280 3.615 0 40 FHAB C[C@H](NC(=O)CCC(=O)c1cccs1)c1nc(-c2ccccc2)c[nH]1 58218202 VMKSOCITPBWSQQ-ZDUSSCGKSA-N 353.447 3.979 0 40 FHAB Cc1noc(C)c1CCC(=O)N1CCC(c2ccc3cccnc3n2)CC1 655265843 MOPRBQGDMZUYED-UHFFFAOYSA-N 364.449 3.573 0 40 FHAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2ccccn2)N1c1cccc(F)c1 1615155061 HJKKXEARRCHKCY-OALUTQOASA-N 353.441 3.883 0 40 FHAB O=C(c1csc(-c2ccccc2)n1)N1CCN(Cc2cccs2)CC1 39981672 JKSOSBQPYBYUQR-UHFFFAOYSA-N 369.515 3.830 0 40 FHAB Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1CCC(=O)O 1774141574 LZLRBOCQFFSZEW-UHFFFAOYSA-N 354.431 3.744 0 40 FHAB O=C(NCc1nnc(SCc2ccccc2)o1)c1c(F)cccc1F 5107603 PJOKQJWXYJEBSY-UHFFFAOYSA-N 361.373 3.570 0 40 FHAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1cccnc1Cl 12390703 KWDCZJKMQFFQKB-UHFFFAOYSA-N 372.808 3.730 0 40 FHAB biogenic CCOc1ccc(NC(=O)COc2cc3ccccc3cc2C(=O)O)cc1 13080395 NMIQPWMZKWSCDZ-UHFFFAOYSA-N 365.385 3.954 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 15992123 OZPCDONNWFORQE-MRXNPFEDSA-N 356.853 3.678 0 40 FHAB S=C1N[C@]2(CS1)Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 16712021 PYQOBJOYXXTDQX-QAPCUYQASA-N 353.472 3.505 0 40 FHAB Cc1ccc(C)c(N2CCN(C[C@H](O)c3c[nH]c4ccc(F)cc34)CC2)c1 19133736 VZYOEZCTRYVAES-QFIPXVFZSA-N 367.468 3.779 0 40 FHAB C[C@H]1Cc2cc(CN3C[C@@H]4CCC[C@H](C3)C4(O)c3cccnc3)ccc2O1 19498166 KFAQMCUSCMTESQ-DGLRVSLGSA-N 364.489 3.525 0 40 FHAB Cc1noc(C)c1C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCCN2C 19580163 MVTXLGBPQTZIAX-ZVDOUQERSA-N 367.493 3.774 0 40 FHAB CCOc1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)c(OCC)c1 5464812 FYOBPVSKCYSAHX-BOPFTXTBSA-N 355.365 3.968 0 40 FHAB Cc1nc(Cc2ccccc2)sc1C(=O)N[C@@H]1CCCc2nn(C)cc21 512849630 OXZZANIKBBNMME-MRXNPFEDSA-N 366.490 3.583 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1cccc(N(C)C)c1 4506431 PINXEWNYCHHZKJ-AWEZNQCLSA-N 350.418 3.971 0 40 FHAB Cc1oncc1CN1CCC(CN(C)c2cc(C(F)(F)F)ccn2)CC1 1888904096 PHRLJSSRNSCCBW-UHFFFAOYSA-N 368.403 3.745 0 40 FHAB CCOc1ccc(C(=O)NCCSc2ncc(-c3ccccc3)[nH]2)cc1 4315533 GKDXQJVBCPDVKX-UHFFFAOYSA-N 367.474 3.998 0 40 FHAB COc1ccc([C@@H]2c3cccn3CCN2C(=O)NCc2ccccc2)cc1 5256189 XJFSPXLVFZXKEP-OAQYLSRUSA-N 361.445 3.812 0 40 FHAB Cc1cccc(NC(=O)Cn2c(C)nc3c(sc4ccccc43)c2=O)c1 16841494 PFYAWEIBPFHXMG-UHFFFAOYSA-N 363.442 3.867 0 40 FHAB O=C(Nc1ccccc1)C1(n2cccn2)CCN(Cc2ccccc2)CC1 2055704351 SIZOPXKAHUYSIA-UHFFFAOYSA-N 360.461 3.513 0 40 FHAB O=C(NCCCN1CCO[C@H](c2ccccc2)C1)c1ccccc1Cl 36699971 WQRUUPDSAZWJOL-IBGZPJMESA-N 358.869 3.533 0 40 FHAB CCc1nnc(NC(=O)c2cnc3c(C(F)(F)F)cccc3c2O)s1 12421850 FTBWXAFQMOSNKN-UHFFFAOYSA-N 368.340 3.625 0 40 FHAB COc1cc(CCC(=O)Nc2ccccc2CN2CCCC2)cc(OC)c1 40090888 MDNDKZGHECOSSN-UHFFFAOYSA-N 368.477 3.871 0 40 FHAB CCN1CCN(c2ccccc2NC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 40103967 VKIHTFREMCVFSB-OKZBNKHCSA-N 358.530 3.775 0 40 FHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cnc(-c2ccccc2)s1 40108595 QLWOFBNMNSUABX-INIZCTEOSA-N 367.474 3.970 0 40 FHAB CC[C@H](C)Cn1c(O)cc2nn(-c3nc4ccccc4s3)c(=O)c-2c1C 100161790 GAEWOOZKUROAPV-NSHDSACASA-N 368.462 3.809 0 40 FHAB C[C@H](C(=O)NCc1cccnc1OC1CCCC1)n1cnc2ccccc21 31993694 TVYGLJKKSAUERE-OAHLLOKOSA-N 364.449 3.630 0 40 FHAB CCN(CC)Cc1ccc(NC(=S)NC(=O)c2ccccc2OC)cc1 6629906 BBEHNXNVWIOBHO-UHFFFAOYSA-N 371.506 3.664 0 40 FHAB CC(C)n1nccc1NC(=O)[C@H](C)Sc1nccn1-c1cccc(F)c1 6972954 OYXSOGOCHQBMLP-ZDUSSCGKSA-N 373.457 3.908 0 40 FHAB C[C@@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 7326792 HCZSMMNLBTXRTH-LLVKDONJSA-N 368.911 3.791 0 40 FHAB C/C=C/c1ccc(OC[C@H](O)CN(C)Cc2sccc2C)c(OC)c1 32721089 DHSBVPREELRXGV-FUTAKVPZSA-N 361.507 3.970 0 40 FHAB COc1ccccc1OCCNC(=O)COc1cc(C)c(Cl)c(C)c1 41157523 NOYCEMPVLUKOKO-UHFFFAOYSA-N 363.841 3.539 0 40 FHAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NCCCc1ccccc1 2617812 BYSVIABVWWTSCA-UHFFFAOYSA-N 372.468 3.832 0 40 FHAB CCCCN(C)C(=O)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 2649240 HJRHFWRSOXJATK-CQSZACIVSA-N 352.740 3.769 0 40 FHAB Cc1cccc(N2C(=O)/C(=C\Nc3ccccc3O)c3ccccc3C2=O)n1 102415745 SMVQIGJVLUNBQW-LGMDPLHJSA-N 371.396 3.736 0 40 FHAB CC(C)c1ccc(CS(=O)(=O)[C@H](C)C(=O)NCC2CCCCC2)cc1 32929684 QHZRRUSJSQIJAS-MRXNPFEDSA-N 365.539 3.810 0 40 FHAB Cc1noc(C)c1CN1CCN(C(=O)c2ccc(SC(C)C)cc2)CC1 52688745 ZNDSSQOGTDIJPP-UHFFFAOYSA-N 373.522 3.750 0 40 FHAB COc1ccccc1[C@H](N[C@H]1CCCc2[nH]c(=O)ccc21)c1ccco1 90534824 XAMXHYUJZVWMNK-UWJYYQICSA-N 350.418 3.733 0 40 FHAB C[C@H]1c2cccn2CCN1Cc1nc2scc(-c3ccco3)c2c(=O)[nH]1 22089383 TUGJFHRKCAMPIL-LBPRGKRZSA-N 366.446 3.623 0 40 FHAB Cc1cccc(Cn2[nH]cc/c2=N\C(=O)CSc2cc(F)ccc2F)c1 103100194 NPXFXDIHSLXXCL-PTGBLXJZSA-N 373.428 3.671 0 40 FHAB CN(Cc1ccccc1)[C@@H](NC(=O)c1ccccc1)C(=O)c1ccccc1 54061430 FLVKFINQSHTXQN-JOCHJYFZSA-N 358.441 3.757 0 40 FHAB CCCn1cc(NC(=O)Cc2coc3cc4c(cc23)CCC4)ccc1=O 47186151 WBOAFGQUHBMQNR-UHFFFAOYSA-N 350.418 3.674 0 40 FHAB FC(F)(F)c1nnc2sc(Cc3csc(-c4ccccc4)n3)nn12 61720209 CXKCWBVZMMWKGX-UHFFFAOYSA-N 367.381 3.919 0 40 FHAB O=C(Nc1ccccc1)NC1CCN(C(=O)CCCc2cccs2)CC1 55420465 QGTKIDQMLCWHPR-UHFFFAOYSA-N 371.506 3.884 0 40 FHAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2ccc(Cl)cc2)CC1 100809784 FMLNMGKEJUNYFT-GASCZTMLSA-N 352.862 3.906 0 40 FHAB CC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 27338451 HIENSDCIWSZLSC-OAHLLOKOSA-N 360.479 3.633 0 40 FHAB CNCCCNCc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 57263116 IPPSIYDSVTXVEP-UHFFFAOYSA-N 366.864 3.766 0 40 FHAB COCCN[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 57406007 MAGXHZFDCIHPCN-INIZCTEOSA-N 352.356 3.621 0 40 FHAB Cc1ccccc1-c1noc(-c2ccccc2OCC(=O)NC(C)C)n1 21524715 PPYSISFORDISEM-UHFFFAOYSA-N 351.406 3.615 0 40 FHAB CC(C)CN1C(=O)[C@]2(Nc3ccccc3C(=O)N2C2CC2)c2ccccc21 57946327 ZQLZFZHXJSVJLS-QFIPXVFZSA-N 361.445 3.572 0 40 FHAB CCc1ccc(OC[C@H](O)CSc2nnc(-c3cccs3)o2)cc1 58226053 CSFMQGWJHMFIQZ-ZDUSSCGKSA-N 362.476 3.893 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1 22457025 FRBAAZXRNYZSBZ-UHFFFAOYSA-N 374.506 3.763 0 40 FHAB O=C(COc1ccc(Cl)cc1Cl)OCC(=O)c1ccc(F)cc1 3234844 KGBNCQPVQZMNLA-UHFFFAOYSA-N 357.164 3.937 0 40 FHAB O=C(NCc1cccc(C(=O)N2CCCC2)c1)c1cc(Cl)ccc1F 36392007 QCHISNSJWVTFMT-UHFFFAOYSA-N 360.816 3.645 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)Nc2ccc3c(c2)OC2(CCCCC2)O3)no1 28368199 KGULYFKPAVZEGM-CYBMUJFWSA-N 357.410 3.854 0 40 FHAB COc1ccccc1NC(=O)CN1CCC(CCc2ccccc2)CC1 11154992 OJWOGBRBIPYRJR-UHFFFAOYSA-N 352.478 3.979 0 40 FHAB CC(C)C[C@@H](NC(=O)CSc1nc2cc(Cl)ccc2s1)C(=O)O 12793186 IXQNUQBHZPYMLC-LLVKDONJSA-N 372.899 3.657 0 40 FHAB O=C(NC[C@H](O)COc1ccc(C(F)(F)F)cc1)c1ccccc1Cl 48344670 HUJQIWRIJUCTFS-LBPRGKRZSA-N 373.758 3.529 0 40 FHAB O=C(Nc1ccc(F)c(F)c1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 12861559 HWXCDMBETJTNLW-RMKNXTFCSA-N 370.399 3.855 0 40 FHAB CC(C)c1nnc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)s1 12806467 LFNOYBFMAINRGM-UHFFFAOYSA-N 353.451 3.977 0 40 FHAB O=C1[C@H](Cc2ccc3ccccc3c2)NC(=S)N1CCc1ccccc1 12848552 SWTLVYIYIMWFNQ-FQEVSTJZSA-N 360.482 3.710 0 40 FHAB O=C1O[C@@H](C(=O)N[C@H](c2ccccc2)c2cccs2)Cc2ccccc21 12871159 TVVCRBWOWUJYJP-IEBWSBKVSA-N 363.438 3.735 0 40 FHAB CC(C)CNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 3402261 XEFQWHGLIFCTMQ-UHFFFAOYSA-N 360.527 3.644 0 40 FHAB COc1ccc2nc(NC(=O)COc3ccc(C(C)=O)cc3)sc2c1 3479232 UPQHJFLQROCYJQ-UHFFFAOYSA-N 356.403 3.525 0 40 FHAB NC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)cs2)cc1 3454033 JZPOHJRIZYOXBN-UHFFFAOYSA-N 369.471 3.640 0 40 FHAB C[C@H]1CCc2sc(C(=O)OCC(=O)Nc3cccnc3Cl)cc2C1 3402187 DVMLTIPYGVKKPS-JTQLQIEISA-N 364.854 3.717 0 40 FHAB Cc1ccnn1-c1ccc(C(=O)NCc2ccccc2CN2CCCC2)cc1 8012893 AWIAQUPJINANIW-UHFFFAOYSA-N 374.488 3.707 0 40 FHAB CC[C@H](CO)Nc1ncnc2c1oc1nc(CC(C)C)c3c(c12)CCC3 13217731 FNIWFQPNLCRXAM-GFCCVEGCSA-N 354.454 3.641 0 40 FHAB COC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 4185742 NUVGCIDAQJCUJX-ANCGMVAHSA-N 361.869 3.828 0 40 FHAB CCOC(=O)c1c(NC(=O)C2=Cc3ccccc3OC2)sc(C)c1C 5034315 MFDXGNHEILXQNC-UHFFFAOYSA-N 357.431 3.956 0 40 FHAB CC(C)n1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1ccco1 13956307 SPHSXKBLBBCNTI-ZIAGYGMSSA-N 362.499 3.906 0 40 FHAB CN(C)[C@@H](CNC(=O)Nc1ccc2oc(C3CC3)nc2c1)c1ccco1 65474769 CWOSCRWXCZCUHS-HNNXBMFYSA-N 354.410 3.723 0 40 FHAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccccc1Br 14188618 TZPPOAFNCRPKGX-UHFFFAOYSA-N 373.294 3.975 0 40 FHAB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(F)cc2)n2ncnc2N1 4704192 UMFLXCVADSULPQ-SFHVURJKSA-N 363.396 3.653 0 40 FHAB COc1cccc(-c2nn3c(-c4cc(OC)cc(OC)c4)nnc3s2)c1 4769866 RNFLPNVYITUFFZ-UHFFFAOYSA-N 368.418 3.546 0 40 FHAB COc1cccc([C@@H](CNc2ncnc3sc4c(c23)CCC4)N(C)C)c1 6786604 KLHBWQKSUQUKBF-MRXNPFEDSA-N 368.506 3.903 0 40 FHAB O=C(c1cc2c(=O)n3ccccc3nc2s1)N1CCC[C@H]2CCCC[C@@H]21 6865098 LPJVWKXRNPXGQA-HIFRSBDPSA-N 367.474 3.704 0 40 FHAB COc1ccccc1N1CCN(C(=O)[C@H](C)Sc2ccc(C)cc2)CC1 6966369 BFGARIZJXZHHFC-KRWDZBQOSA-N 370.518 3.833 0 40 FHAB Cc1ccc([C@@H]2OCCC[C@H]2C(=O)NCc2n[nH]c(=S)n2C(C)C)cc1 80173329 JZRITJPXJBHEEZ-WBVHZDCISA-N 374.510 3.614 0 40 FHAB CCc1ccc(NC(=O)[C@H](C)Nc2cc(OC)c(OC)c(OC)c2)cc1 7224088 YJDZDGPOGWOVLM-ZDUSSCGKSA-N 358.438 3.714 0 40 FHAB COCCn1c(C(=O)NCc2nc3ccccc3s2)cc2ccccc21 72302752 WRGOUVAPEOIGDR-UHFFFAOYSA-N 365.458 3.827 0 40 FHAB CCn1cnnc1-c1cccc(NC(=O)c2cnc(Cl)c(Cl)c2)c1 78455114 PHXVKHPGFQTWDX-UHFFFAOYSA-N 362.220 3.919 0 40 FHAB Cc1nscc1C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 95458328 NXTJPMJIWYAMNY-UHFFFAOYSA-N 359.432 3.599 0 40 FHAB CC1(C)C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O1 88613700 QEVUGTQUQFVVTP-GOSISDBHSA-N 351.402 3.619 0 40 FHAB in-vitro CN(Cc1nc(C(F)(F)F)cs1)C(=O)Cc1noc2ccccc12 74456044 PFIAOXFGIOCNTK-UHFFFAOYSA-N 355.341 3.504 0 40 FHAB C[C@H]1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)C[C@H]1O 89408340 GUKZESARNSQDFC-WCQYABFASA-N 358.488 3.868 0 40 FHAB Cc1ccc([C@]2(C)NC(=O)N(Cc3ccc(C(F)(F)F)cc3)C2=O)o1 60346200 AYZAMLTYZHVJRJ-INIZCTEOSA-N 352.312 3.574 0 40 FHAB CCOC(=O)c1cc(NS(=O)(=O)Cc2ccc(C)cc2)ccc1Cl 20108591 AOIUWCCSGCJGGH-UHFFFAOYSA-N 367.854 3.767 0 40 FHAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NC(C)(C)C)ccc1C 33708287 AHJNJURWAGRZFK-UHFFFAOYSA-N 360.479 3.633 0 40 FHAB CCn1c(=O)n2nc(-c3cccnc3)nc2c2c(-c3ccccc3)csc21 32101938 KVUPJCZJHJSKSA-UHFFFAOYSA-N 373.441 3.855 0 40 FHAB Fc1ccccc1Oc1nccnc1[C@@H]1CCCN(C2CCOCC2)C1 72362850 RPLBQBYSCQGUDZ-OAHLLOKOSA-N 357.429 3.766 0 40 FHAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H](C)COc1ccc(C)cc1 219564566 NRZBNKPDYNLZMJ-SJLPKXTDSA-N 357.450 3.745 0 40 FHAB CCOc1ncccc1-c1noc(C(C)(C)Cc2nc3ccccc3[nH]2)n1 564225306 FFVOYEDPUVTLNY-UHFFFAOYSA-N 363.421 3.927 0 40 FHAB O=C(CSc1ccc(F)cc1)NC[C@@H](c1ccsc1)n1cccn1 675008032 PGWVAAOFZMQEAY-INIZCTEOSA-N 361.467 3.582 0 40 FHAB Cc1ccc(N2CCN(C(=O)c3cn[nH]c3-c3ccccc3)CC2)c(C)c1 72328630 GYDQTWPMGNMQIX-UHFFFAOYSA-N 360.461 3.656 0 40 FHAB Cc1ccccc1Oc1cncc([C@@H]2CCCN(C(=O)c3ccccn3)C2)n1 72362267 JYNJISDURCFPQD-QGZVFWFLSA-N 374.444 3.992 0 40 FHAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C)cc1 223768443 JTIBLEACBIPANT-RBUKOAKNSA-N 364.474 3.606 0 40 FHAB O=C(Cc1ccc(Cl)cc1F)N1CCN(c2ccc(F)cc2)CC1 224099574 XYPUJLUEFZBPFR-UHFFFAOYSA-N 350.796 3.510 0 40 FHAB C[C@H](SCc1ccccc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225021744 XSPTWWOALKUYCU-LBPRGKRZSA-N 358.488 3.860 0 40 FHAB COc1ccc(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C 223495493 ILTNFLGEBKKJIC-UHFFFAOYSA-N 358.869 3.548 0 40 FHAB CCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCC)C1c1ccccc1 19800847 QGBKCOARPOIYBT-UHFFFAOYSA-N 357.450 3.828 0 40 FHAB biogenic O=C(NC[C@@]1(O)CCOc2ccccc21)c1ccc(-c2ccsc2)cc1 225622041 WIAXWWXQPXJXQC-NRFANRHFSA-N 365.454 3.815 0 40 FHAB C[C@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(F)cc1Br 40108294 SEFOHVZRMINTBN-NHYWBVRUSA-N 358.251 3.913 0 40 FHAB CCCc1ccc(OCCNS(=O)(=O)c2c(C)cc(C)cc2C)cc1 223854568 XYQOHMAIPPPBOY-UHFFFAOYSA-N 361.507 3.922 0 40 FHAB COc1cccc(OC)c1COC(=O)c1snnc1-c1cccs1 223847133 RTUBCLGOCOOAOX-UHFFFAOYSA-N 362.432 3.641 0 40 FHAB O=C(Cc1c(F)cccc1Cl)N1CC[C@H](c2ccc3c(c2)OCO3)C1 225677158 MBOJITLKCHBRAJ-ZDUSSCGKSA-N 361.800 3.766 0 40 FHAB CSc1ccc(S(=O)(=O)NCCOc2ccccc2C(C)C)cc1 223769013 UUJQCBITZXZURO-UHFFFAOYSA-N 365.520 3.889 0 40 FHAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 225184585 VRGMLUJHALHLIJ-QGZVFWFLSA-N 370.518 3.641 0 40 FHAB CCOC(=O)c1cc(NC(=O)C2(OCC)CCCC2)ccc1OC(C)C 225828712 CMEKQWLGNQBJGI-UHFFFAOYSA-N 363.454 3.938 0 40 FHAB Cc1noc(C)c1CN1CC[C@]2(CCCN(CCOc3ccccc3)C2)C1 96216275 DYSNMLCHGORSGO-QFIPXVFZSA-N 369.509 3.658 0 40 FHAB Cn1cccc1C(=O)N1CC[C@H](OCC2CC2)[C@@H](Cc2ccccc2)C1 96110597 MRHFPWHBFKUSPA-FPOVZHCZSA-N 352.478 3.525 0 40 FHAB C[C@]1(c2ncc(Cc3ccccc3F)o2)CCCN(Cc2cnccn2)C1 257288904 PWDYDRDACASADI-NRFANRHFSA-N 366.440 3.748 0 40 FHAB Cc1cc(Nc2ncccn2)nc([C@H]2CCCCN2Cc2cncs2)n1 257315891 VDEBZRQDQURFBD-OAHLLOKOSA-N 367.482 3.502 0 40 FHAB Cc1cccc(-c2cccc(CNC(=O)c3ccc4c(c3)NC(=O)CO4)c2)c1 588628104 PFYFRTDPYARXBI-UHFFFAOYSA-N 372.424 3.923 0 40 FHAB Cc1nnc(CNC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)n1C 630933665 GJYZRIBUNXYTLP-UHFFFAOYSA-N 367.280 3.559 0 40 FHAB CC(C)CCCCNS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 1187207938 FAQXMQYBMRFNRO-UHFFFAOYSA-N 372.918 3.719 0 40 FHAB COc1ccccc1OCCNC(=O)c1cc(-c2cc(C)ccc2C)n[nH]1 96097177 HAAVOKADZDFPPA-UHFFFAOYSA-N 365.433 3.511 0 40 FHAB CC(C)(C)c1ccc(C(=O)N2CCn3c(nnc3-c3ccccc3)C2)s1 675641070 KLZUYOULNLOLSZ-UHFFFAOYSA-N 366.490 3.960 0 40 FHAB C[C@@H](NC(=O)c1cc(-c2ccccc2Cl)on1)c1nnc2ccccn12 47443753 GUAASEDPYHYEGW-LLVKDONJSA-N 367.796 3.529 0 40 FHAB COC(=O)c1sc(-c2ccccc2Cl)cc1NC(=O)[C@@H]1CCOC1 69357423 NPICWIJOQQAGEA-SNVBAGLBSA-N 365.838 3.830 0 40 FHAB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4061208 LIQRRNOQIKMVTQ-FYYUJBKDSA-N 360.494 3.811 0 40 FHAB biogenic CN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Br)c1 5576684 MFIHZQMNSBBDST-OAHLLOKOSA-N 370.202 3.731 0 40 FHAB COc1ccc(C2CCN(CC(=O)Nc3nc(C)c(C)s3)CC2)cc1 12113930 QNHMVDRAQRWBPM-UHFFFAOYSA-N 359.495 3.587 0 40 FHAB O=C(NCCc1cccs1)c1ccc(=O)n(Cc2ccccc2Cl)c1 12799953 CLSWJKRCZLSOIA-UHFFFAOYSA-N 372.877 3.584 0 40 FHAB CCCCN1C(=O)c2ccc(C(=O)N(C)[C@@H](C)c3ccccc3)cc2C1=O 13003455 XVDBJEHKEWFFCV-HNNXBMFYSA-N 364.445 3.916 0 40 FHAB Cc1cccc(NC(=O)C[C@H]2CSc3nc(C(C)C)cc(=O)n32)c1C 14033963 HQQJWLQISWYVFY-AWEZNQCLSA-N 357.479 3.659 0 40 FHAB C[C@H]1CN1C(=O)Nc1ccc(Cc2ccc(NC(=O)N3C[C@H]3C)cc2)cc1 17313718 HBAVTFLDZROSFF-FQVJYRSNSA-N 364.449 3.749 0 40 FHAB CC(C)C(=O)N1CCC[C@@](Cc2cccc(-c3cccs3)c2)(C(N)=O)C1 19085405 BAODGOSSRDEBPG-NRFANRHFSA-N 370.518 3.708 0 40 FHAB Cc1cc(C)n(CCCC(=O)N[C@@H]2[C@H]3CCC[C@@H]3[C@H]2c2ccccc2)n1 19574192 UUVJGRZWXTUFGE-SEIRJHJZSA-N 351.494 3.979 0 40 FHAB Cc1sc(NC(=O)CC[C@H]2CCC(=O)N2)nc1-c1cccc(Cl)c1 19660344 QCYVITAJQWEMBM-CYBMUJFWSA-N 363.870 3.769 0 40 FHAB CCN1C(=O)/C(=C\N(C(C)=O)c2ccccc2)N(c2ccccc2)C1=S 4579128 NATNSCSPRLIHAB-NBVRZTHBSA-N 365.458 3.535 0 40 FHAB CC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@H]1/C=C/c1ccccc1 5613239 WQJXTIXMWMNXCO-IENJSVCTSA-N 358.397 3.831 0 40 FHAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c1 6335335 DVWUGKZKYOZLIB-UHFFFAOYSA-N 354.450 3.838 0 40 FHAB Cc1ccc(C)c(NC(=O)CSCc2cc(=O)n3c(C)csc3n2)c1 9114462 IPNHGCWAOGKBHD-UHFFFAOYSA-N 373.503 3.553 0 40 FHAB C[C@@H](Sc1nncn1C)C(=O)Nc1ccc(OCc2ccccc2)cc1 6063423 OPSQOJAKXCLKGW-CQSZACIVSA-N 368.462 3.513 0 40 FHAB Fc1ccc(CSc2ncnc3c2nnn3-c2ccc(F)cc2)cc1 4166703 OOHUDDBPUHEBKU-UHFFFAOYSA-N 355.373 3.781 0 40 FHAB O=C(O)C[C@@H](NC(=O)Cc1cccs1)c1ccc(OC2CCCC2)cc1 4689301 XHLIAWBODHXGHH-GOSISDBHSA-N 373.474 3.944 0 40 FHAB O=S(=O)(NCc1csc(-c2ccccc2)n1)c1cc(F)ccc1F 5151793 BGUGVIBBMJOJDE-UHFFFAOYSA-N 366.414 3.567 0 40 FHAB CCC(=O)N1CCCc2ccc(NC(=O)COc3cccc(C)c3)cc21 17247702 FKLGAGUCRWQBHL-UHFFFAOYSA-N 352.434 3.702 0 40 FHAB Cc1ccc(C)c(NC(=O)CSc2cc(-n3nc(C)cc3C)ncn2)c1 49404085 LNOVCQCCWPZBSB-UHFFFAOYSA-N 367.478 3.627 0 40 FHAB O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1cccc(Oc2ccccc2)c1 4263860 WAYWVBMRRVHQKF-UHFFFAOYSA-N 358.353 3.615 0 40 FHAB COCCn1cc(NC(=O)Nc2ccccc2C(=O)OC)c2ccccc21 5266508 QJKBBJUNAHFIGE-UHFFFAOYSA-N 367.405 3.718 0 40 FHAB Cc1c(C(=O)N(Cc2ccco2)Cc2ccco2)[nH]c2c1C(=O)CCC2 30470978 GYODQFRANOIUPG-UHFFFAOYSA-N 352.390 3.871 0 40 FHAB C[C@@H]1CC[C@H]2C(=O)N(c3cccc(OC(=O)c4ccccc4)c3)C(=O)[C@@H]2C1 100744329 XPEWGBFEFDMETC-NIKGAXFTSA-N 363.413 3.831 0 40 FHAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3)o2)cc1 872532 IWKWEMBQFZFYQU-UHFFFAOYSA-N 355.419 3.866 0 40 FHAB CCn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccc(O)cc1 886715 SXDVTPWMORKRBI-UHFFFAOYSA-N 361.467 3.639 0 40 FHAB CC(C)CN1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 46049967 MPAHNUPOMOJXGO-CYBMUJFWSA-N 373.324 3.997 0 40 FHAB O=C(C1CCC1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 32001090 ZFDLZNBHELFMDX-UHFFFAOYSA-N 358.482 3.999 0 40 FHAB C[C@H]1CCCN(C(=O)COC(=O)/C=C/c2ccc(C(F)(F)F)cc2)C1 7981394 FROGBGFCNJRGND-PPGNKHEKSA-N 355.356 3.520 0 40 FHAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N(C)Cc1cccc(F)c1 7905449 UWIIWGSBWQJLRV-GFCCVEGCSA-N 374.485 3.769 0 40 FHAB Cc1cc2cc(CCNC(=S)Nc3ccccc3F)c(=O)[nH]c2cc1C 4225345 BGOCSAASAOUNLH-UHFFFAOYSA-N 369.465 3.813 0 40 FHAB C[C@H](Oc1cccc(F)c1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCCO2 32283906 ZRVKIKIRTCJJNR-KBPBESRZSA-N 359.397 3.632 0 40 FHAB O=c1oc(-c2cccc3ncccc23)nn1Cc1ccc2ccccc2n1 4933132 HHYIVDLSQJROSH-UHFFFAOYSA-N 354.369 3.648 0 40 FHAB O=C1CCCN1c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 7726586 LSMUEYRJJQFMSF-UHFFFAOYSA-N 366.442 3.767 0 40 FHAB CCc1cccc(C)c1NC(=O)Cc1c(C)nc2nc(SC)nn2c1C 7918812 LKTJNBUWLOGTRY-UHFFFAOYSA-N 369.494 3.515 0 40 FHAB CC(C)Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN(c3cnccn3)C2)cc1 32777425 IUOGKEMPMIOZKI-PXNSSMCTSA-N 366.509 3.769 0 40 FHAB COc1ccc(-c2nonc2NC(=O)c2ccc(OC(C)C)cc2)cc1 11914704 AEOLAJNMTJDECT-UHFFFAOYSA-N 353.378 3.785 0 40 FHAB Cc1c(C(=O)NCC(=O)NCc2ccco2)oc2c1ccc1ccccc12 7952867 GGTXXLLBVDXGQM-UHFFFAOYSA-N 362.385 3.534 0 40 FHAB CCc1cccc(C)c1NC(=S)NC(=O)c1ccc(OC)cc1OC 57313189 VUBALQATMPROCX-UHFFFAOYSA-N 358.463 3.701 0 40 FHAB CCOC(=O)c1ccc(OC(=O)CCc2cnn(-c3ccccc3)c2)cc1 8331056 GHMSHKLQGXRRAL-UHFFFAOYSA-N 364.401 3.587 0 40 FHAB COc1cccc(NC(=O)c2cc3nccc(-c4ccc(F)cc4)n3n2)c1 2795443 BZZANVFZCNVVIB-UHFFFAOYSA-N 362.364 3.796 0 40 FHAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1Cc1cccc(C(F)(F)F)c1 8519458 KGXLSLMRSOADOJ-IBGZPJMESA-N 374.362 3.989 0 40 FHAB CC[C@@H](NC(=O)N[C@@H]1CCCN(CC)C1)c1ccccc1OC(F)F 52526919 WAAUDJCZRCGXOQ-UKRRQHHQSA-N 355.429 3.523 0 40 FHAB CC1(C)C[C@H](NC(=O)NC(C)(C)C)C[C@@](C)(CNC(=O)NC(C)(C)C)C1 59461407 FKYQCOPNELIKSR-VBKZILBWSA-N 368.566 3.767 0 40 FHAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1c(Cl)cccc1Cl 10314441 AQMSVFRGYVOPBV-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB O=S(=O)(Nc1cnn(Cc2ccccc2F)c1)c1ccc(Cl)cc1 2782314 IPHCGDMWADMUOG-UHFFFAOYSA-N 365.817 3.525 0 40 FHAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NCc5cnn(C)c5)(C4)C2)C3)cc1 103731747 ZILOSQFJQUMUAJ-YUOVDFJASA-N 363.505 3.883 0 40 FHAB CC(C)(C)[C@H]1CCc2sc(C(=O)NCCCN3CCCC3=O)cc2C1 22625363 KGWSWOKCKLPLBK-HNNXBMFYSA-N 362.539 3.641 0 40 FHAB CN(C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1 24369051 SFQIDEHVKUOTBV-GOSISDBHSA-N 354.450 3.785 0 40 FHAB CCCn1c(O)c(C(=O)Nc2cccc(C)c2C)c(=O)c2ccccc21 1240889 KQMTWCAOEFDIKV-UHFFFAOYSA-N 350.418 3.986 0 40 FHAB C[C@H]1CCCCN1C(=O)c1nnc2sc(-c3ccccc3Cl)nn12 57354647 KEKSXKFNMWLZCH-JTQLQIEISA-N 361.858 3.521 0 40 FHAB O=C(CCC(=O)c1ccccc1)NCC1(c2ccc(F)cc2)CCOCC1 55453590 JFOKMLBBPBNERY-UHFFFAOYSA-N 369.436 3.653 0 40 FHAB CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)[C@@H]1CCC(=O)NC1 56448302 FUDPRRACOVTUDO-CQSZACIVSA-N 374.481 3.817 0 40 FHAB CCOc1ccc2c(c1)cc(C(=O)Nc1cc(OC)ccc1OC)n2C 35476044 HFQVOWRRVJQZHM-UHFFFAOYSA-N 354.406 3.847 0 40 FHAB O=C1CCc2cc(OCCSCc3noc4c3CCCC4)ccc2N1 108877936 RYMOVHRTJJRFMT-UHFFFAOYSA-N 358.463 3.750 0 40 FHAB CCOc1ccc(C(=O)OCC(=O)Nc2cc(C)ccc2C)cc1OCC 3226079 MSRCQWBEPUECNJ-UHFFFAOYSA-N 371.433 3.896 0 40 FHAB CC(=O)c1ccc(-n2c(C)cn(CCCOc3ccc(F)cc3)c2=O)cc1 58151184 OEZSBGMMUFVBDR-UHFFFAOYSA-N 368.408 3.758 0 40 FHAB O=S(=O)(CCn1c(-c2ccoc2)nc2ccccc21)Oc1ccccc1 58218879 LAKDDABYUPBGQK-UHFFFAOYSA-N 368.414 3.705 0 40 FHAB CCOc1cccc([C@H](C)NC(=O)C[C@H]2Sc3ccccc3NC2=O)c1 58201881 XVNMGLFZHLYHLN-SCLBCKFNSA-N 370.474 3.766 0 40 FHAB COc1ccc2cc(C(=O)Nc3ccc4c(c3)OCCO4)c(C)nc2c1 10402028 YLUXJARFGGWZAG-UHFFFAOYSA-N 350.374 3.575 0 40 FHAB O=C(Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccc(F)cc1 2317978 WKXABSWDRSHGFW-UHFFFAOYSA-N 359.360 3.587 0 40 FHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc(Cl)ccc1F 11084063 VUPHVMJPQGPWBM-UHFFFAOYSA-N 357.816 3.996 0 40 FHAB Cc1ccc(N2C[C@@H](C(=O)N[C@@H](C)c3ccccc3Cl)CC2=O)cc1 12798265 KOEWUBAKBWZJDD-GJZGRUSLSA-N 356.853 3.879 0 40 FHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NCc1ccccc1OC(F)F 12827473 VJMXFJCRENRWJV-UHFFFAOYSA-N 374.391 3.852 0 40 FHAB Cc1ccc(NC(=O)CN(C)Cc2ccc(F)cc2)c(Br)c1 3588366 NHDNEBXYHQRVAX-UHFFFAOYSA-N 365.246 3.967 0 40 FHAB CCOC(=O)c1ccc(NCc2ccc(-n3ccnc3C)c(F)c2)nc1 63254787 ODRUSNWTYPPJIV-UHFFFAOYSA-N 354.385 3.504 0 40 FHAB CN(Cc1ccccc1Cl)C(=O)C[C@@H]1Sc2ccccc2NC1=O 17918593 XMFWEOJNFATAKU-INIZCTEOSA-N 360.866 3.802 0 40 FHAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(CC(=O)OCC(C)C)C1=O 409210480 KLAXTHMUGNMQOD-IEPNIYFGSA-N 359.447 3.868 0 40 FHAB Cc1ccccc1-n1nc(SCC(=O)NC(C)(C)C)sc1=S 5289901 DFUIRFJXURCLDO-UHFFFAOYSA-N 353.538 3.979 0 40 FHAB Cc1nc(-c2ccsc2)sc1C(=O)O[C@H](C)C(=O)NC1CCCC1 14234668 WERARYWWZVPOLK-LLVKDONJSA-N 364.492 3.784 0 40 FHAB CCOc1ccccc1CN1CCC(C(=O)N(C)Cc2ccccc2)CC1 4690620 SFFBJZHDYYLQRH-UHFFFAOYSA-N 366.505 3.956 0 40 FHAB CCCCOCCCNC(=O)c1cccc(NC(=O)c2ccccc2)c1 4696257 YLBPNHOOVLXWRE-UHFFFAOYSA-N 354.450 3.876 0 40 FHAB Cc1ccccc1Oc1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1 4610776 XSBOEEKPPAAHFH-MKCULMFZSA-N 363.413 3.923 0 40 FHAB CCOc1ncccc1C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 14659457 VDMRYJLSYVOKCW-UHFFFAOYSA-N 367.430 3.560 0 40 FHAB CCn1c(S[C@H](C)C(=O)Nc2nccs2)nnc1-c1ccccc1 4723709 HOXCYTHLZSEXNU-LLVKDONJSA-N 359.480 3.541 0 40 FHAB COc1ccc([C@H]2CC(=O)Nc3[nH]ncc32)cc1OCc1ccc(F)cc1 15083304 ZLTQCMUFEHYOLW-OAHLLOKOSA-N 367.380 3.611 0 40 FHAB COc1ccc(OCCCSc2n[nH]c3nc4ccccc4n23)cc1 6977350 SZFGDQFLXUAKHI-UHFFFAOYSA-N 354.435 3.780 0 40 FHAB COc1ccc(C(=O)NCCCOC2CCCCC2)cc1Br 6989317 KPNCBTQJLXSQQO-UHFFFAOYSA-N 370.287 3.927 0 40 FHAB COC(=O)c1cc(Br)ccc1NC(=O)Cc1ccccc1F 6913837 LOLRRRIRPFFBSX-UHFFFAOYSA-N 366.186 3.556 0 40 FHAB CC(=O)Nc1ccc(C(=O)CSc2cc(C)nc(C(C)C)n2)c(F)c1 15513743 BQEIEFWNXNGKRQ-UHFFFAOYSA-N 361.442 3.981 0 40 FHAB CC(C)CNc1nc(C(=O)NC2CCN(Cc3ccccc3)CC2)cs1 71286687 SOQKPVPMLMSNSO-UHFFFAOYSA-N 372.538 3.605 0 40 FHAB O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)C1=COCCO1 9446313 TUBPNOCPCCGJMU-UHFFFAOYSA-N 352.415 3.714 0 40 FHAB O=c1[nH]nc(SCc2nc3ccccc3s2)n1Cc1ccccc1 9585006 QKXOKPXWRHQKGC-UHFFFAOYSA-N 354.460 3.522 0 40 FHAB CCOc1ccccc1NC(=O)[C@H]1CC(O)=Nc2nc3ccccc3n21 9668776 NYJQCXJQNSHLES-OAHLLOKOSA-N 350.378 3.607 0 40 FHAB COCCOc1ccc(CN[C@@H](C(=O)OC(C)(C)C)c2ccccc2)cc1 97140132 UOAOAHUVRVNKQQ-HXUWFJFHSA-N 371.477 3.884 0 40 FHAB COc1cc(F)c(C(=O)Nc2cc(C)nn2-c2ccccc2C)cc1OC 95965864 CWZBZRREQPNPRP-UHFFFAOYSA-N 369.396 3.898 0 40 FHAB CCS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(Cl)c2C)c1 29512547 NXJDSNJLIPNKDQ-UHFFFAOYSA-N 352.843 3.662 0 40 FHAB Cc1ccc(CN(C(=O)[C@H](C)Oc2cccc(CO)c2)C2CC2)cc1C 89643198 YFPCXBSKEFUCEN-KRWDZBQOSA-N 353.462 3.754 0 40 FHAB Clc1cc(Cl)c2c(c1)C=C(CNCCCOC[C@H]1CCCO1)CO2 89762094 ILHYXNNSPRACLS-MRXNPFEDSA-N 372.292 3.945 0 40 FHAB Cc1ccc(-c2nnc(CN(C)C(=O)[C@@H](C)Oc3ccccc3C)o2)cc1 408713967 DWYMDVGRAIESQP-MRXNPFEDSA-N 365.433 3.779 0 40 FHAB COc1ccc(C(=O)Oc2ccc(-c3cc(C)ccc3C)nn2)cc1OC 408527708 HBILXAXECYXBSO-UHFFFAOYSA-N 364.401 3.997 0 40 FHAB CCNC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2C)ccc1C 408603427 JUJGXBAHCBKPJO-UHFFFAOYSA-N 366.870 3.507 0 40 FHAB Cc1c(OCC(=O)Nc2cccc(Cl)c2)c(=O)ccn1CCC(C)C 524733303 FPVVMJICWQYOBG-UHFFFAOYSA-N 362.857 3.874 0 40 FHAB Cc1ccccc1[C@@H](C)NC(=O)CSc1nc(Cc2cccs2)n[nH]1 32891527 RRXHNHPKWOVTGW-CYBMUJFWSA-N 372.519 3.735 0 40 FHAB COC(=O)[C@H](NC(=O)c1ccc(F)c(C)c1)c1cccc(C(F)(F)F)c1 1534093300 VFCQRAMASCADAQ-OAHLLOKOSA-N 369.314 3.797 0 40 FHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc2ccccc2c1 4618686 ZEQXQJCCLHYEKM-LJQANCHMSA-N 373.408 3.619 0 40 FHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCc2nc(-c3cccs3)no2)c1 219304300 GGOHVRMNXIETTN-AWEZNQCLSA-N 371.462 3.807 0 40 FHAB CCOc1ccccc1[C@H](CC)NC(=O)CN1CCC[C@@H]1c1ccc[nH]1 77171228 QABROQISDHCDGN-PKOBYXMFSA-N 355.482 3.818 0 40 FHAB Oc1cc(C2CCN(Cc3ccsc3)CC2)nc(-c2ccccn2)n1 72392830 MKYMDUCLULAPPA-UHFFFAOYSA-N 352.463 3.685 0 40 FHAB O=C(Cc1cccnc1)N1CCCC[C@H]1c1n[nH]cc1-c1cccc(F)c1 72356340 KKELIYFSRKFVIR-IBGZPJMESA-N 364.424 3.907 0 40 FHAB O=C1CCCN1c1cccc(CNC(=S)Nc2ccccc2Cl)c1 44077849 ABGAKMZAOGZJKR-UHFFFAOYSA-N 359.882 3.953 0 40 FHAB CCCc1ccc(OCCNS(=O)(=O)Cc2ccccc2Cl)cc1 224172923 NKIJITBUHYFLIF-UHFFFAOYSA-N 367.898 3.791 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(Cl)c3Cl)nn2)n1 75163954 ODRYDXUTGRVCKK-UHFFFAOYSA-N 362.220 3.838 0 40 FHAB CN(CC(=O)NCCc1cccs1)c1nc2c(Cl)cccc2s1 75162171 DTPSHACWNVKVOD-UHFFFAOYSA-N 365.911 3.806 0 40 FHAB Cc1ccc(CSCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 45872898 RHNYNMYNMZMHHV-OAHLLOKOSA-N 357.475 3.877 0 40 FHAB O=C(Cc1cccc2ccccc12)N1CCN(c2cccc(Cl)n2)CC1 40155925 PBLAYOKIPGPBQY-UHFFFAOYSA-N 365.864 3.780 0 40 FHAB CC[C@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(OC)cc1 225490750 HBCSLLKCRZOSBW-SFHVURJKSA-N 371.506 3.835 0 40 FHAB COc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(C)=O)c(OC)c1OC 226818065 DWMVIHLYMGEANS-GOSISDBHSA-N 368.433 3.718 0 40 FHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCc1ccccc1 225700826 MXHQCUDUULSYHX-OAQYLSRUSA-N 366.505 3.951 0 40 FHAB O=C(c1ccc(N2CCCCC2)nn1)N(Cc1ccccc1)c1ccccn1 77099895 AXTRCVNHDQDALQ-UHFFFAOYSA-N 373.460 3.709 0 40 FHAB CC(C)NC(=O)c1cc(-c2csc(-c3cnccn3)n2)n2ccccc12 96266759 RUEYROZVWJHTHB-UHFFFAOYSA-N 363.446 3.658 0 40 FHAB O=C([C@@H]1CCCc2c(O)cccc21)N1Cc2cnn(-c3ccccc3)c2C1 583894276 MHZDVXQKPFWXOD-LJQANCHMSA-N 359.429 3.540 0 40 FHAB COCCC(=O)N[C@@H]1C[C@H](c2c(F)cccc2F)O[C@@H]2CCCC[C@@H]12 257214763 CNJCIZLPGBPQIG-WBQNTZJQSA-N 353.409 3.506 0 40 FHAB CCCN(CCC)c1nn(-c2ccccc2C(F)(F)F)nc1C(=O)O 256046013 CFCMYFDWSYHURR-UHFFFAOYSA-N 356.348 3.611 0 40 FHAB CCc1nc2ccccc2n1C1CCN(C(=O)c2cnn3ccccc23)CC1 678490666 PTKKWTNDCOEOMQ-UHFFFAOYSA-N 373.460 3.724 0 40 FHAB COc1ccc(C(=O)NCc2ccc(C(=O)c3ccco3)s2)cc1F 96119898 VZNWSIJWIYALPZ-UHFFFAOYSA-N 359.378 3.650 0 40 FHAB O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)N1CCC[C@@H](O)CC1 298396388 RAERKDASZGQHEG-FVQBIDKESA-N 356.388 3.508 0 40 FHAB Cc1cc(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)no1 1615121419 FOFSCBZSEGTXCY-HXUWFJFHSA-N 357.429 3.786 0 40 FHAB Cc1cccc(NC(=O)CSc2nc(-c3ccccc3O)n[nH]2)c1C 5520252 WHBHHAKSCKVYCJ-UHFFFAOYSA-N 354.435 3.525 0 40 FHAB Cc1ccc2[nH]c3nc(SCC(=O)NCC4CCCCC4)nnc3c2c1 5751053 ZZHUCPFNSVVJTD-UHFFFAOYSA-N 369.494 3.603 0 40 FHAB Cc1ccc(OCC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1C 11083406 HBAGHIIOCCGBQM-UHFFFAOYSA-N 363.461 3.586 0 40 FHAB CCOc1ccc(NCc2cc3ccc(OC)cc3[nH]c2=O)c(OCC)c1 12144345 SNINGRVVEMOIMY-UHFFFAOYSA-N 368.433 3.946 0 40 FHAB Cc1ccc([C@]2(C)NC(=O)N(Cc3ccccc3OC(F)F)C2=O)cc1 14093413 FCGPXOYUDZOKES-IBGZPJMESA-N 360.360 3.564 0 40 FHAB CC(=O)Nc1ccc(CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 17355808 TXPRIXZPSPMNHM-QOOZYCALSA-N 354.494 3.909 0 40 FHAB O=C(Nc1nc(C2CC2)cs1)[C@H]1CCCN(C(=O)c2ccccc2)C1 108689784 XYNYDBBFCRTTOA-HNNXBMFYSA-N 355.463 3.511 0 40 FHAB COc1ccc(-c2cc(C(N)=O)c3cc(Br)ccc3n2)cc1 226360238 GNNYEKJVKDLOMM-UHFFFAOYSA-N 357.207 3.772 0 40 FHAB CCCC(=O)NC(=S)Nc1ccc(-c2ccc(C(=O)O)o2)c(Cl)c1 226351412 HWBTVWYHSWYYFZ-UHFFFAOYSA-N 366.826 3.911 0 40 FHAB C/C=C(/COC(=O)/C(C)=C/C)C(=O)OC/C=C/c1ccc(OC)c(OC)c1 31162828 SMFMXIFWUMPOHW-AHYOAEHOSA-N 374.433 3.716 0 40 FHAB biogenic,in-vitro Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(N(C)C)cc1 18132360 SORRKKRVWVOIPA-UHFFFAOYSA-N 362.477 3.827 0 40 FHAB CN(C)[C@@H](CNC(=O)CCn1ccc2ccccc21)c1cccc(F)c1 22682757 SEVMMMOAHYTMMR-FQEVSTJZSA-N 353.441 3.590 0 40 FHAB CCOC(=O)/C=C(\Nc1cc2c(C)c(C)n(C)c2cc1C)C(=O)OCC 4710384 ZWKGOKKJRYYGGW-BOPFTXTBSA-N 358.438 3.526 0 40 FHAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(F)c(F)c3)cc21 8959494 NQEFGHISIBBETD-UHFFFAOYSA-N 374.387 3.989 0 40 FHAB CCC12CN3CC(CC)(CN(C1)C3c1ccc(Cl)cc1Cl)C2=O 19318926 LUYTYSZMESRYNG-UHFFFAOYSA-N 353.293 3.999 0 40 FHAB O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1ccccc1Cl 207998098 YHIYKORGOGKHAC-CQSZACIVSA-N 369.808 3.629 0 40 FHAB O=C(N1CC[C@H](Oc2ncccn2)C1)N(c1ccccc1)c1ccccc1 575609944 CHNRWFVRLIPXTK-IBGZPJMESA-N 360.417 3.888 0 40 FHAB Cc1ccc(-n2ccn3c(SCC4CCCC4)nnc3c2=O)cc1C 2298139608 WWDPSCVIMSVLSR-UHFFFAOYSA-N 354.479 3.779 0 40 FHAB CCOc1cc(C=O)ccc1OCCCSc1nnc(CC)n1CC 8731756 ZZJIAUDDPMPFPP-UHFFFAOYSA-N 363.483 3.633 0 40 FHAB Cc1n[nH]c2c1[C@H](c1cccc(OCc3ccccc3)c1)C1=C(COC1=O)N2 20086394 ZGXBBBKXUVFCNN-IBGZPJMESA-N 373.412 3.665 0 40 FHAB COc1ccc(Cl)cc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 21870192 GMVLMTHEOVYJFF-VMPITWQZSA-N 370.880 3.820 0 40 FHAB O=C(Nc1cccc(NC(=O)c2ccc(F)c(F)c2)c1)c1ccncc1 31965591 NOAINCDUZXFCIF-UHFFFAOYSA-N 353.328 3.864 0 40 FHAB C[C@H]1SC[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 2583060 WFCIGOQMPVAAGQ-XIKOKIGWSA-N 369.442 3.784 0 40 FHAB COC[C@H](C)NC(=O)c1cc2ccccc2cc1OCc1c(C)noc1C 60387758 RFXPJCIHIOCXLM-ZDUSSCGKSA-N 368.433 3.788 0 40 FHAB Cc1cc(OCC(=O)Nc2ccc(C(C)C)cc2)nc(N2CCCC2)n1 21360488 VBYCYGCMHQQGCR-UHFFFAOYSA-N 354.454 3.526 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 7689063 DMKXBRGBPZMYRW-CQSZACIVSA-N 372.490 3.563 0 40 FHAB O=C(CCNc1ncnc2scc(-c3ccccc3)c12)N1CCCC1 32717231 INFREGDMIAUILB-UHFFFAOYSA-N 352.463 3.783 0 40 FHAB O=C(COc1ccccc1Cl)Nc1nc(-c2cccs2)ns1 11914585 GYQNQZJFGCCKPI-UHFFFAOYSA-N 351.840 3.938 0 40 FHAB O=C(CCSCc1ccccc1)Nc1ccc(N2CCOCC2)cc1 10502058 FBDZZNVLRORFKF-UHFFFAOYSA-N 356.491 3.785 0 40 FHAB CCC[C@H]1[C@H]2C(=O)N(c3ccc(CC)cc3)C(=O)[C@@H]2ON1c1ccccc1 102691645 KZVSHWCSDYFGSC-XUVXKRRUSA-N 364.445 3.728 0 40 FHAB COc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc(OC)c1Br 21895740 NXIFGOWLFGWLHR-GHMZBOCLSA-N 356.260 3.584 0 40 FHAB O=C(N[C@@H]1CCc2ccccc21)c1ccc(CSc2ncn[nH]2)cc1 22322337 KERPNOXCHQOCOJ-QGZVFWFLSA-N 350.447 3.514 0 40 FHAB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1ccc(C)cc1 724935 SGGYHTRSQXRSNR-LJQANCHMSA-N 360.417 3.576 0 40 FHAB Cc1cccc(C)c1NC(=O)CN1CCN([C@@H](C)c2ccccc2)CC1 22786278 XWOPOFKCBCKEGE-IBGZPJMESA-N 351.494 3.621 0 40 FHAB c1ccc2c(CN3CCN(Cc4cn5ccccc5n4)CC3)cccc2c1 22922809 DTHVSVXEVQAVTH-UHFFFAOYSA-N 356.473 3.805 0 40 FHAB Cc1cc(F)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 103716217 FVFCFCSKDMNFON-OAHLLOKOSA-N 370.424 3.913 0 40 FHAB O=C(NC(=S)Nc1ccc(Cc2ccncc2)cc1)c1ccc(F)cc1 921039 LBJFXIBNNRPDFW-UHFFFAOYSA-N 365.433 3.938 0 40 FHAB Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc3c(cc12)C(=O)CCC3 1302424 ZYSDJXYZUSKJMB-UHFFFAOYSA-N 355.394 3.789 0 40 FHAB CC(C)N(C)C(=O)c1ccc(CNc2nccc(C(F)(F)F)n2)cc1 25567459 SWQFLYKPZWALEZ-UHFFFAOYSA-N 352.360 3.588 0 40 FHAB CCc1ccccc1-n1ccc2nc3ncnn3c(-c3ccccc3)c2c1=O 22607878 FQLCPYUKYVIRSU-UHFFFAOYSA-N 367.412 3.658 0 40 FHAB O=S(=O)(N1CCCCCC1)n1c(Cc2ccccc2)nc2ccccc21 27530796 XNTKVYBRXPZCLS-UHFFFAOYSA-N 369.490 3.596 0 40 FHAB CCO[C@H]1C[C@H](NC(=O)CCc2nc3ccccc3[nH]2)C12CCCCC2 175845117 FYSSJRUBEWSNIK-ROUUACIJSA-N 355.482 3.740 0 40 FHAB Cc1occc1C(=O)Nc1ccnn1Cc1cccc(Br)c1 58201342 YLTZCBSFVYOQEP-UHFFFAOYSA-N 360.211 3.848 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3nnc(CC(C)C)s3)no2)cc1 27991380 GXPINVRKQFJKSO-UHFFFAOYSA-N 358.423 3.653 0 40 FHAB COCCOc1ccccc1C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 10469570 ZXNOALSHSCRTHU-GOSISDBHSA-N 371.433 3.522 0 40 FHAB O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(-n2cccn2)cc1 36366443 MJLNOOPCKYHBCB-UHFFFAOYSA-N 367.352 3.692 0 40 FHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(OC(F)F)cc1 11082498 PLJNTQKCZYNIAG-UHFFFAOYSA-N 371.387 3.805 0 40 FHAB O=C(COc1ccccc1F)Nc1ccc(N2CCCC2=O)c(Cl)c1 12787119 MXOSPVGEWDVKKM-UHFFFAOYSA-N 362.788 3.623 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)c2cccnc12 12858103 IVGYWNZZQKIPOT-OAHLLOKOSA-N 363.417 3.627 0 40 FHAB COc1cc2nc(Cc3cccc(C(F)(F)F)c3)[nH]c(=O)c2cc1OC 12880084 UAZCMDXASYJINB-UHFFFAOYSA-N 364.323 3.550 0 40 FHAB CCCSc1nc2ccccc2c(=O)n1-c1ccc(OC)c(OC)c1 3442457 XVBHSWKGPIAURD-UHFFFAOYSA-N 356.447 3.905 0 40 FHAB COc1ccc(OCCCC(=O)Nc2ccc(/C=C/C(=O)O)cc2)cc1 12993203 NLPNZMNWZCSIGL-AWNIVKPZSA-N 355.390 3.591 0 40 FHAB Cc1cccc2sc(NC(=O)COc3ccc4c(c3)CCC(=O)N4)nc12 13005775 DSIKAXBPLADUGC-UHFFFAOYSA-N 367.430 3.507 0 40 FHAB O=C(O)C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1cccs1 13389276 QQQROZOXSOFKDQ-GFCCVEGCSA-N 357.353 3.642 0 40 FHAB O=C(Nc1ccc2nc(C3CC3)sc2c1)[C@H]1CCCN1C(=O)C1CC1 63980861 REVVSQXMCPPHNF-OAHLLOKOSA-N 355.463 3.513 0 40 FHAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@@H](c2ccccn2)N1 5072040 ZCEMUQJWEWQGME-HXUWFJFHSA-N 367.412 3.880 0 40 FHAB O=C(NCC1(N2CCOCC2)CCCCC1)Nc1cccc2ccccc12 28579954 RQCQQXMZHUEMCB-UHFFFAOYSA-N 367.493 3.996 0 40 FHAB O=C(NCCCCc1ccccc1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 408709338 ZUVKRXGICUWGFH-KRWDZBQOSA-N 370.880 3.832 0 40 FHAB COc1ccc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)OC3)cc1 5203336 SWQXDNQBSNXJAE-MRXNPFEDSA-N 369.804 3.680 0 40 FHAB C[C@@H](NC(=O)COc1ccc2ccc(=O)oc2c1)c1cccc(Cl)c1 4580139 IGKJDSKHTLCTBC-GFCCVEGCSA-N 357.793 3.703 0 40 FHAB O=C(Nn1cnc2ccccc21)c1ccc(NC(=O)c2cccs2)cc1 8718546 ILVLOOVROARCSE-UHFFFAOYSA-N 362.414 3.734 0 40 FHAB C[C@@H](Sc1nc2ncc(Cl)cc2[nH]1)c1nc2ccccc2c(=O)[nH]1 8709971 QETQRHBXTAQLNB-MRVPVSSYSA-N 357.826 3.701 0 40 FHAB C[C@H](CC(=O)N[C@H](c1ccc(F)cc1)c1nccn1C)c1ccccc1 9157081 ONAGFOZASVOQCZ-FOIQADDNSA-N 351.425 3.959 0 40 FHAB COc1cc(Cl)c(C)cc1N[C@H](C)C(=O)NC(=O)NC1CCCCC1 7091888 QEHWWQXKKIKMAQ-GFCCVEGCSA-N 367.877 3.616 0 40 FHAB O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1c[nH]nc1-c1ccc(F)cc1 80473242 DBELJBSYQXRVAQ-JXFKEZNVSA-N 365.408 3.723 0 40 FHAB CCN(CC)C(=O)CSc1nnc(Nc2cccc(Cl)c2)s1 7578453 FGMWUJABVCKGCF-UHFFFAOYSA-N 356.904 3.896 0 40 FHAB O=C1CCc2cc(NS(=O)(=O)c3cc(Cl)ccc3Cl)ccc2N1 8962473 HSNIFUUKGPVBSM-UHFFFAOYSA-N 371.245 3.679 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(F)c(F)cc1Cl 7758340 OHWXPBNINLGQJA-UHFFFAOYSA-N 354.740 3.838 0 40 FHAB CCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@@H]1c1cccc(O)c1 7738667 PWICCCMHLLONRX-FQEVSTJZSA-N 363.417 3.752 0 40 FHAB Cc1ccc(SCCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 60438017 ZTOVXDCNJQESNA-UHFFFAOYSA-N 369.534 3.868 0 40 FHAB CC(=O)c1cn(CC(=O)Nc2nc3c(s2)CCCC3)c2ccccc12 71284781 URTPMDQKQQESIP-UHFFFAOYSA-N 353.447 3.818 0 40 FHAB COc1ccc(/C=C/c2nnc(NC(=O)COc3ccccc3)s2)cc1 9357823 MARUXOSPMOYWHW-FMIVXFBMSA-N 367.430 3.735 0 40 FHAB CC(C)c1sc(Cl)nc1C(=O)NCCc1nc2ccccc2n1C 96231251 RPPXJXYMGLWATB-UHFFFAOYSA-N 362.886 3.779 0 40 FHAB CC(C)c1nccn1Cc1cccc(NC(=O)N[C@H](C)c2cn[nH]c2)c1 89893793 URNWGBNHHLJDCW-CQSZACIVSA-N 352.442 3.661 0 40 FHAB CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)n2c1nc1ccccc12 19819428 NVRNVPNCDKNDEB-SFHVURJKSA-N 362.433 3.753 0 40 FHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(Cl)ccc1F 9591308 LOAJTHBFZFYJLN-UHFFFAOYSA-N 367.760 3.535 0 40 FHAB CCc1ccc(C(=O)OCC(=O)NCc2ccccc2C(F)(F)F)cc1 72333908 GKNZCKBYEPTWBC-UHFFFAOYSA-N 365.351 3.741 0 40 FHAB CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc2c(F)cccc2[nH]1 72303673 RTHQYSIIOPNOCR-KRWDZBQOSA-N 365.452 3.901 0 40 FHAB CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1cnn(-c2ccccc2)c1 95463162 ZXKKGVIWJBXTKB-LIRRHRJNSA-N 353.397 3.517 0 40 FHAB C[C@@H](CCSc1ccccc1)N1CCN(C(=O)c2ccccc2O)CC1 79109650 RLIOQODTZHKTNA-KRWDZBQOSA-N 370.518 3.721 0 40 FHAB O=C(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)nn1 38494583 WWGLDLXPDASERX-UHFFFAOYSA-N 355.397 3.817 0 40 FHAB CC[C@@H]1CCCC[C@H]1CNC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 1556809175 FSJBOOFECRUQQU-SQNIBIBYSA-N 363.546 3.683 0 40 FHAB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCC[C@@H]1C 409003833 VHYJRZFVRHQZSF-POZUXBRTSA-N 371.481 3.520 0 40 FHAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OC(C)C)cc3)C(=O)[C@@H]21 408621101 LDTLPNHMFKINFL-RWQQGDIJSA-N 365.429 3.510 0 40 FHAB Cc1ccc(Oc2cccc([C@@H]3CCCN3C(=O)c3nccn3C)n2)cc1 72384428 AOTARBLKKUOEMJ-SFHVURJKSA-N 362.433 3.893 0 40 FHAB Cc1cc(Cl)ccc1NC(=O)CSc1nc2ccccc2c(=O)[nH]1 72205245 IOBAJADHFDMTFX-UHFFFAOYSA-N 359.838 3.616 0 40 FHAB CCOc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 72228102 WJNXHCXHECUVQI-JKSUJKDBSA-N 350.340 3.519 0 40 FHAB O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)Nc1c(F)cccc1F 70640289 TVWWZUMYHUNESB-ZDUSSCGKSA-N 360.282 3.839 0 40 FHAB Cn1nccc1CN1CCC[C@@H](c2cncc(Oc3ccccc3F)n2)C1 72362827 CAFAGNOSRRAUEE-OAHLLOKOSA-N 367.428 3.521 0 40 FHAB CCc1ccc([C@H](NC(=O)C2CCN(C(=O)C3CC3)CC2)C(C)C)cc1 32741328 RGGNCPWKOFNSTE-HXUWFJFHSA-N 356.510 3.711 0 40 FHAB Cc1noc2ncc(S(=O)(=O)N(C)[C@H](c3ccccc3)C(C)C)cc12 78674240 NNCWDEBLNBZHLH-KRWDZBQOSA-N 359.451 3.549 0 40 FHAB Cc1ccc(-c2c(C)nn3c(N4CCC[C@H](O)C4)c(C)c(C)nc23)cc1 72341704 BRTHSWBDFQZRPX-SFHVURJKSA-N 350.466 3.591 0 40 FHAB COc1ccc(-c2cnc(CCC(=O)N3CCc4ccccc4C3)o2)cc1 224853695 UOFCEUBXDSNZII-UHFFFAOYSA-N 362.429 3.868 0 40 FHAB COc1ccc(C[C@@H](Oc2ccc3ccccc3c2)C(=O)O)c(OC)c1 225113321 ANSLJNPFVJIUPO-HXUWFJFHSA-N 352.386 3.932 0 40 FHAB CC(C)[C@H](NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1)C(=O)O 40867904 XFAYXZRHJGGESW-YPNIWSFNSA-N 353.418 3.504 0 40 FHAB COc1ccc2[nH]cc(CCC(=O)c3ccc(N4CCOCC4)cc3)c2c1 228978831 NHMSYOXKBVGOBK-UHFFFAOYSA-N 364.445 3.829 0 40 FHAB COc1ccc([C@@H](C)NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 44950227 PLDTZSKACYPBLF-CQSZACIVSA-N 360.413 3.686 0 40 FHAB CCOc1ccc(S(=O)(=O)N(CC)c2cc(Cl)ccc2OC)cc1 224592228 HCALXZPGRYEWGC-UHFFFAOYSA-N 369.870 3.963 0 40 FHAB Cc1ccc(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)cc1 225492146 LRZBBYQGISJBLG-IBGZPJMESA-N 366.505 3.788 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 223186633 GRBLWQYEQUZRLM-IBGZPJMESA-N 372.896 3.744 0 40 FHAB Cc1ccc(OCCNC(=O)CCCc2ccc3c(c2)OCCO3)c(C)c1 224945803 JEYFWFSNPQZARR-UHFFFAOYSA-N 369.461 3.593 0 40 FHAB CCO[C@@](C)(C(=O)Nc1ccc(OCCN2CCCCC2)cc1)C1CC1 225723256 YNFOJRDNCHQYMO-OAQYLSRUSA-N 360.498 3.695 0 40 FHAB Clc1cc(Cl)cc(Nc2ncnc3c2cnn3C2CCNCC2)c1 228922567 FIDVVTAXZJYTCB-UHFFFAOYSA-N 363.252 3.801 0 40 FHAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC)c(C(=O)OCC)c1 225821733 OZZQLVCTDFYERJ-LJQANCHMSA-N 351.443 3.796 0 40 FHAB CN(C)C[C@@H]1CCC[C@]2(CCN(C(=O)c3cc4ccccc4s3)C2)O1 96219006 CYCWDMUYFMZMNG-OXJNMPFZSA-N 358.507 3.617 0 40 FHAB Cc1cccc(OC2CCN(C(=O)c3nc4ccccc4s3)CC2)n1 96119526 HDLRTEITGMEAMN-UHFFFAOYSA-N 353.447 3.683 0 40 FHAB CCN1C(=O)CC[C@@H](C(=O)N(C)C2CCCCC2)[C@@H]1c1cccc(OC)c1 257320917 VZGOADGHYFBWRY-CTNGQTDRSA-N 372.509 3.786 0 40 FHAB O=C(c1cnccn1)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257216970 CWXKJQOSRFTGQB-QGZVFWFLSA-N 368.824 3.686 0 40 FHAB Cc1noc(C)c1-c1cncc([C@H]2CCCN2Cc2nccn2C(C)C)n1 257337768 YUHBERTYGQTZIS-GOSISDBHSA-N 366.469 3.863 0 40 FHAB O=C(c1ccc2[nH]c(=S)oc2c1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 73424982 TVGLBNMRZTYEDX-OLZOCXBDSA-N 364.492 3.617 0 40 FHAB C[C@H](NC(=S)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(C)(C)C 5570311 SWQGGJVMIAVVDP-VIFPVBQESA-N 368.446 3.701 0 40 FHAB Cc1ccc(N2C[C@@H](NC(=O)c3c(F)cccc3Cl)CC2=O)cc1C 5194365 ODHZMMZKEJGPNJ-ZDUSSCGKSA-N 360.816 3.631 0 40 FHAB Cc1ccccc1[C@H](NC(=O)c1cc(-c2ccccn2)n[nH]1)c1ccncc1 12147294 ZQIQNONHNIOKFK-OAQYLSRUSA-N 369.428 3.695 0 40 FHAB CC[C@@H](C)NC(=O)COc1ccc(Cl)cc1C(=O)Nc1ccccc1 13057254 NTRVBABQQNXZFZ-CYBMUJFWSA-N 360.841 3.886 0 40 FHAB COc1cccc(NC(=O)COc2c(C(=O)O)ccc3ccccc23)c1 13085980 SYYISVWPJZUJAF-UHFFFAOYSA-N 351.358 3.564 0 40 FHAB CCOc1ccccc1C(=O)N[C@@H](C)c1nc(-c2cccc(C)c2)no1 13495270 AHPYMTDEBZNNTD-AWEZNQCLSA-N 351.406 3.935 0 40 FHAB CC(C)NC(=O)c1ccccc1NC(=O)COc1ccc(C(C)C)cc1 13684473 VFENBZUWLUUKJY-UHFFFAOYSA-N 354.450 3.966 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(Cl)c(Cl)c2)cc1 16092689 WPNIUOHXXCYMRH-UHFFFAOYSA-N 360.218 3.720 0 40 FHAB Cc1cc(-c2c[nH]nc2[C@H]2CCCN2C(=O)Cc2ccccc2C)on1 19237056 AJDWBABXCPQSFT-QGZVFWFLSA-N 350.422 3.588 0 40 FHAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)c2cnccn2)n1 19691493 ZPJZXPZPGDIECE-FQEVSTJZSA-N 362.408 3.963 0 40 FHAB O=C(CSc1nnc(-c2cccnc2)n1C1CCCCC1)N1CCCC1 905203 UJGMIXNROKNHHZ-UHFFFAOYSA-N 371.510 3.560 0 40 FHAB Cc1nn(C)c2ncc(C(=O)Nc3ccc(F)c(Cl)c3)c(Cl)c12 2577823 FLDRIALHCCETOJ-UHFFFAOYSA-N 353.184 3.975 0 40 FHAB CSc1ccc(NC(=O)CCN2C(=O)CSc3ccccc32)cc1 13021400 KLFHUPZMCSLART-UHFFFAOYSA-N 358.488 3.876 0 40 FHAB COc1ccc(CN2CCC[C@@H](c3nc(-c4ccncc4)no3)C2)cc1F 1888890332 FXFPERSMVODPGY-MRXNPFEDSA-N 368.412 3.659 0 40 FHAB CC(=O)Nc1cccc(NC(=O)CSc2ccc(C(F)(F)F)cn2)c1 21636145 BOBZXTFZXHBCDD-UHFFFAOYSA-N 369.368 3.790 0 40 FHAB COc1ccc2ccc(=O)oc2c1[C@@H](OC(=O)CC(C)C)C(=O)C(C)C 14500140 OBHRYPZHQYYDFI-HXUWFJFHSA-N 360.406 3.657 0 40 FHAB biogenic,in-vitro O=C(c1sccc1F)N1CCC[C@]2(CCCN(Cc3ccccn3)C2)C1 2056224130 SHBNQNMNWDRLSP-FQEVSTJZSA-N 373.497 3.801 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(NC(=O)CC(C)C)s2)cc1 4077756 GNNDQMHTMITAQN-UHFFFAOYSA-N 364.496 3.562 0 40 FHAB CCOc1ccc(N2C[C@H](NC(=O)Nc3ccccc3CC)CC2=O)cc1 4373679 AZCBBFMZEBGIRZ-MRXNPFEDSA-N 367.449 3.575 0 40 FHAB CC(=O)c1cccc(NC(=O)c2cccn(Cc3cc(C)ccc3C)c2=O)c1 5270033 KQEAGPIFXNNLMZ-UHFFFAOYSA-N 374.440 3.968 0 40 FHAB COc1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)c1 6946005 ZBXVHRJXJZNYGT-UHFFFAOYSA-N 352.415 3.775 0 40 FHAB COC(=O)c1ccc(C(=O)N(Cc2ccsc2)CC(F)(F)F)cc1 44447530 NCJOAIQWWDUDSJ-UHFFFAOYSA-N 357.353 3.739 0 40 FHAB CCOc1ccc([C@@H]2CCCN2C(=O)c2cn(-c3ccccc3)nn2)cc1 40073822 YTMWGIWNXZYIGI-FQEVSTJZSA-N 362.433 3.643 0 40 FHAB O=C(NC[C@H]1CCOC1)c1sc(-c2ccco2)nc1-c1ccccc1 40089171 IORXWGRHNKLQLF-CYBMUJFWSA-N 354.431 3.836 0 40 FHAB CCc1ccc(Cl)c(CC)c1NC(=O)N1CCN(c2ncccn2)CC1 40103336 BAJGHFVFPBTJTO-UHFFFAOYSA-N 373.888 3.609 0 40 FHAB CN(CCOc1ccc(F)cc1)C(=O)Nc1ccccc1N1CCCC1 40103772 HYGNLLADJKLUFC-UHFFFAOYSA-N 357.429 3.969 0 40 FHAB O=C(Nc1ncccc1O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 30516271 CZGAEZQDFRUBHS-GOSISDBHSA-N 358.401 3.733 0 40 FHAB COc1cc(OC)c(NC(=O)Cn2cc(C=O)c3ccccc32)cc1Cl 51318953 WHUMPMOTHUDDOH-UHFFFAOYSA-N 372.808 3.763 0 40 FHAB CCOc1ccccc1NC(=S)N1CCN(c2cccc(OC)c2)CC1 1325641 SSXYGIXCPUUPBT-UHFFFAOYSA-N 371.506 3.613 0 40 FHAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccccc1F)SCC(O)=N2 20731889 IHRFOWSOUQXGTL-OAHLLOKOSA-N 355.398 3.534 0 40 FHAB CN(C(=O)COC(=O)c1c2c(nc3ccccc13)CCC2)C1CCCCC1 3482385 PPJOGTMMUBKLFK-UHFFFAOYSA-N 366.461 3.671 0 40 FHAB C[C@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)c2C(N)=O)C1 4166045 QNDSZZUXTDDXAT-GLQYFDAESA-N 354.475 3.714 0 40 FHAB Cc1ccccc1C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=S)NCC(C)C 4888316 JDIHTPXCQWGHNX-AYHJJNSGSA-N 373.566 3.641 0 40 FHAB S=C(Nc1ccc(Cl)cc1)Nn1c(S)nnc1-c1ccccc1 6062211 JBNZCUJPZUSFFH-UHFFFAOYSA-N 361.883 3.828 0 40 FHAB CN(Cc1nc2ccccc2s1)C(=O)C1CCN(C(=O)C(C)(C)C)CC1 32748125 KQZHVUQOEWWMJF-UHFFFAOYSA-N 373.522 3.539 0 40 FHAB O=C(CSc1nnc(Nc2ccccc2)s1)N1CCc2ccccc21 2616601 KANMKHJEDDNWBC-UHFFFAOYSA-N 368.487 3.963 0 40 FHAB O=C(OCc1nnsc1Cl)c1cccnc1Nc1ccccc1F 32823755 WKWGPQFPACMSRO-UHFFFAOYSA-N 364.789 3.826 0 40 FHAB CCn1c(S)nc2cc(C(=O)Nc3cccc(Cl)c3)ccc2c1=O 102587585 OLQABOFTCZZYHC-UHFFFAOYSA-N 359.838 3.611 0 40 FHAB O=C(NC1CCCCC1)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 32975618 ROUGPNFMFZIXDI-UHFFFAOYSA-N 365.429 3.751 0 40 FHAB O=C(Cc1ccc(Cl)c(Cl)c1)NCc1ccnc(N2CCCC2)c1 32905547 YMBLGOHWYAPJCR-UHFFFAOYSA-N 364.276 3.848 0 40 FHAB CN(Cc1noc(C(C)(C)C)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 52638720 YNUMQJMBARDYML-DZGCQCFKSA-N 370.280 3.764 0 40 FHAB Cc1cccc(NC(=O)C(=O)NCCOc2ccc3ccccc3c2)c1C 59417436 LLZDVRKUSARJLN-UHFFFAOYSA-N 362.429 3.590 0 40 FHAB Cn1ccnc1[C@H](NC(=O)/C=C/c1cccc(F)c1)c1cccc(F)c1 9335941 OXJLJUQQYNFQQH-CSHXORCISA-N 353.372 3.617 0 40 FHAB COc1ccccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl 952117 FLSIPAOCDNMHMI-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB CCn1cc(C(=O)Nc2ccc(Br)cc2Br)cn1 27938170 HKDFABRIGGVRQB-UHFFFAOYSA-N 373.048 3.680 0 40 FHAB COc1ccc([C@@H](O)CNC(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)cc1 56942994 WWZVZGQQUPDYBV-GTNSWQLSSA-N 366.820 3.582 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Sc2ccc(OC)cc2)c1 20489619 JUIBSQWFASJJJB-CYBMUJFWSA-N 359.447 3.910 0 40 FHAB CNC(=O)c1ccc(CN(C)C(=O)c2cc(Cl)cc3cccnc23)cc1 55051293 OCSYKKCNSBKTNS-UHFFFAOYSA-N 367.836 3.520 0 40 FHAB CCOC(=O)c1cnc(SC)nc1NCCc1c[nH]c2ccccc12 1407807 DTGYGPDKGSWVEO-UHFFFAOYSA-N 356.451 3.511 0 40 FHAB COC(=O)Nc1ccc(NS(=O)(=O)c2cccc3cc(C)cnc23)cc1 55632034 KFJUARULKFZRKW-UHFFFAOYSA-N 371.418 3.522 0 40 FHAB O=C(Nc1cccc2cn[nH]c12)c1cnc(OCC(F)(F)F)c(Cl)c1 47993735 OZIRRXUCBQQXER-UHFFFAOYSA-N 370.718 3.805 0 40 FHAB N=c1n(CC(=O)c2ccccc2)c2ccccc2n1CC(=O)c1ccccc1 26442314 MFYGTMWYVGYJFR-UHFFFAOYSA-N 369.424 3.688 0 40 FHAB C[C@@H]1C[C@@H]1c1ccc(CN(C)Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)o1 57362913 PKAGFHIPFKICOO-RISCZKNCSA-N 369.490 3.822 0 40 FHAB CN(C(=O)COC(=O)c1ccc(F)c(Cl)c1)c1cccc(Cl)c1 51354071 AUGDZFPGKGKJLX-UHFFFAOYSA-N 356.180 3.952 0 40 FHAB Cc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(F)cc2F)c1C 3216581 NSPRSCVBYJUWPE-UHFFFAOYSA-N 370.355 3.925 0 40 FHAB Cc1ccc(NC(=O)C2CCN(Cc3cccc4cccnc34)CC2)nc1 58161686 CEXDQCXATYKIEP-UHFFFAOYSA-N 360.461 3.789 0 40 FHAB O=C(Nc1cccc(NC(=O)N(C[C@@H]2CCOC2)C2CC2)c1)c1ccco1 58245793 SMJUPECAILQTLE-AWEZNQCLSA-N 369.421 3.565 0 40 FHAB Cc1ccc(NC(=O)CCC(=O)Nc2nnc(CC(C)C)s2)c(C)c1 2199493 CNPAFVXTIATBTE-UHFFFAOYSA-N 360.483 3.711 0 40 FHAB CC(C)n1ncc2c(C(=O)NCc3cccc(F)c3)c3c(nc21)CCC3 36357380 AOYBEMLQUAJKCA-UHFFFAOYSA-N 352.413 3.570 0 40 FHAB COC(=O)c1ccc(CNC(=O)c2csc(-c3cccs3)n2)cc1 12777521 FDSMAMCRFNQRRQ-UHFFFAOYSA-N 358.444 3.588 0 40 FHAB C[C@H](c1cccs1)N(C)Cc1nnnn1-c1ccc(C(F)(F)F)cc1 48368475 SSPGASYUOAKNHM-LLVKDONJSA-N 367.400 3.936 0 40 FHAB O=C(Nc1ccccc1C(=O)OCC(=O)c1cccs1)c1ccco1 3483817 RGUMRWSVHXXZRC-UHFFFAOYSA-N 355.371 3.633 0 40 FHAB COc1cccc(NC(=O)[C@H](Sc2nnc(C)n2C)c2ccccc2)c1 3487123 JGRCUBPQBKIFMH-QGZVFWFLSA-N 368.462 3.604 0 40 FHAB COc1ccc2nc(SCC(=O)N3c4ccccc4C[C@H]3C)[nH]c2c1 3536026 AOQVIDHONFPKFK-GFCCVEGCSA-N 353.447 3.641 0 40 FHAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)OCC(=O)c1ccccc1 3530067 GEJKNVKRSNHQJI-UHFFFAOYSA-N 374.392 3.723 0 40 FHAB O=S(=O)(c1ccc(Cl)cc1F)N(Cc1ccccc1F)C1CC1 12910135 UKRIOZWVQDSPQP-UHFFFAOYSA-N 357.809 3.972 0 40 FHAB COc1cc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc(OC)c1OC 12985067 AASRBDHZUPSDSR-UHFFFAOYSA-N 359.397 3.656 0 40 FHAB CCCCc1n[nH]c(SCC(=O)c2ccc(Br)cc2)n1 18284070 ZVTUINNCBUMDAZ-UHFFFAOYSA-N 354.273 3.885 0 40 FHAB O=C(c1ccco1)N1CCN(CCCCCCOc2ccc(F)cc2)CC1 3906298 DLTMUCBFYKUVEA-UHFFFAOYSA-N 374.456 3.816 0 40 FHAB COc1ccc([C@@]2(O)C[N+]3=C(CCCCC3)N2c2ccc(C)cc2)cc1 13510678 NADKBPBMWVHOHG-QFIPXVFZSA-N 351.470 3.654 0 40 FHAB CC(=O)c1ccc(O[C@@H](C)C(=O)NCCCCOc2ccccc2)cc1 8884369 WOBJIFZQHLSRQL-KRWDZBQOSA-N 355.434 3.632 0 40 FHAB O=c1[nH]c(CSc2nnc(Nc3ccccc3)s2)nc2ccccc12 13683187 GOGMYYDQLNBGKR-UHFFFAOYSA-N 367.459 3.811 0 40 FHAB COc1cc(C(C)=O)ccc1Oc1ccc2nnc(-c3ccccc3)n2n1 13690136 DVQYYFSFDYMDBF-UHFFFAOYSA-N 360.373 3.795 0 40 FHAB COc1ccc(-c2[nH]nc3c2CN(C(=O)/C=C/c2ccccc2)CC3)cc1 8996492 CRFVVNIQOKWQKB-KPKJPENVSA-N 359.429 3.683 0 40 FHAB CC[C@@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1cc(C)no1 23076495 GAVUGTHKEYAPGM-BZNIZROVSA-N 364.829 3.524 0 40 FHAB CC(=O)Nc1cccc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)c1 14140162 RFOUFIPYOJDOHH-ZDUSSCGKSA-N 372.494 3.586 0 40 FHAB COc1cccc(-c2ccc(=O)n(Cc3cccc(C(F)(F)F)c3)n2)c1 5400266 LSWIRORPUKWZKR-UHFFFAOYSA-N 360.335 3.986 0 40 FHAB COc1cc2c(cc1OC)[C@@H](C)N(CC(=O)Nc1ccccc1Cl)CC2 5425605 FTCPJDXTLZIZKZ-CYBMUJFWSA-N 374.868 3.915 0 40 FHAB CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1ccccc1C 4699711 QCRFYHASIFEBNQ-UHFFFAOYSA-N 373.507 3.769 0 40 FHAB COc1cc2sc(NC(=S)NC(=O)C(C)(C)C)nc2cc1Cl 4739346 UCVPMPVWHOBKEY-UHFFFAOYSA-N 357.888 3.817 0 40 FHAB Cc1ccc2[nH]c(=O)c(COC(=O)c3ccccc3Br)cc2c1 9159609 DZSZPWBHEZWROL-UHFFFAOYSA-N 372.218 3.956 0 40 FHAB CN(C)c1ccc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)cc1 5710666 AHWVMLNQPOKMEZ-UHFFFAOYSA-N 366.339 3.567 0 40 FHAB Fc1cccc(-n2nnnc2SCc2coc(-c3cccs3)n2)c1 5796681 FTVZRZJAIWKNKV-UHFFFAOYSA-N 359.411 3.810 0 40 FHAB Cc1ccccc1-c1nnc(S[C@H](C(=O)N(C)C)c2ccccc2)n1C 6847112 UHZZQCUPVQPGHE-KRWDZBQOSA-N 366.490 3.712 0 40 FHAB C[C@H](Sc1nc(-c2ccccc2)cc(=O)[nH]1)C(=O)Nc1ccccc1 4999471 SMKQAWGWPXPVIJ-ZDUSSCGKSA-N 351.431 3.556 0 40 FHAB COc1ccc(C(=O)CSc2nnc(C)n2-c2ccccc2)cc1F 7044049 SRMFFKVPYKBNAU-UHFFFAOYSA-N 357.410 3.698 0 40 FHAB COc1cc(CNC2CC2)cc(Br)c1OCc1cccnc1 7274928 IFONLDBOMMOBLX-UHFFFAOYSA-N 363.255 3.684 0 40 FHAB Cc1cccc(NC2CCN(C(=O)c3c[nH]c4cccc(F)c34)CC2)n1 90634298 DVTGFOSULROCJM-UHFFFAOYSA-N 352.413 3.727 0 40 FHAB COc1ccc([C@H]2CCCN2CC(=O)Nc2ccc(C)c(F)c2)c(OC)c1 7739649 LGKQSHLMRIULIB-LJQANCHMSA-N 372.440 3.927 0 40 FHAB CCCn1c(=O)n(CCC(=O)Nc2ccccc2OCC)c2ccccc21 16699612 YNXAJTCCMORCGN-UHFFFAOYSA-N 367.449 3.641 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)c1cc(Br)ccc1O 8132458 ABSSMTJVZMVJJE-SNVBAGLBSA-N 350.212 3.654 0 40 FHAB CC(C)[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccc2c(c1)OCCO2 8124306 ZOVHWOCIJRDQSE-JOCHJYFZSA-N 364.445 3.995 0 40 FHAB C[C@@H](NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)N1CCCC1 8312266 BSVGMODSRUXWCO-YLJYHZDGSA-N 361.489 3.900 0 40 FHAB COCC(=O)n1nc(-c2cccs2)nc1NCc1ccc(Cl)cc1 9667640 OXJZRQZOQYGORL-UHFFFAOYSA-N 362.842 3.559 0 40 FHAB Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)o1 9616921 STWLHUZLPCVTAS-UHFFFAOYSA-N 367.371 3.611 0 40 FHAB Cc1cccc(NC(=O)COc2ccc(C(=S)N3CCCC3)cc2)c1 409228397 YISZACZPOVUVAQ-UHFFFAOYSA-N 354.475 3.784 0 40 FHAB Cc1sc2nc(NC[C@@H]3CCCO3)n3nc(-c4ccco4)nc3c2c1C 32101902 SLEZXBLMPULICS-LBPRGKRZSA-N 369.450 3.807 0 40 FHAB C[C@@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 123300856 MULSOMSXPSGJAM-KEHQVKGRSA-N 364.526 3.698 0 40 FHAB COc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1 38752073 SMHZFDUFWBLJKG-CQSZACIVSA-N 370.449 3.630 0 40 FHAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OC)cc1OC 408560457 PANOOYPNGXVDQW-UHFFFAOYSA-N 371.842 3.557 0 40 FHAB COc1cccc(Cc2cccc([C@@H]3CCCN3C3CCOCC3)n2)c1 72358158 HRGAFWCJSLTFBR-QFIPXVFZSA-N 352.478 3.997 0 40 FHAB CC(C)(C)OC(=O)N1CC[C@@H](Sc2cccc(Br)n2)C1 79440737 GDQRVZIKLKMRFO-SNVBAGLBSA-N 359.289 3.946 0 40 FHAB C[C@@]1(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)CC1(Cl)Cl 36866424 SYTWGGHAYRRPRM-AWEZNQCLSA-N 364.656 3.701 0 40 FHAB Cc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1C 30756742 LRATVQQQLJOAKK-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB N[C@@H]1C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccccc1Cl 72227302 AULXWCWDQOFAMG-UONOGXRCSA-N 351.631 3.518 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2N2CCCC2)cc1 72215992 IMCVHJUIGVZIQO-IBGZPJMESA-N 371.506 3.516 0 40 FHAB O=C(c1ccccn1)N1CCC[C@@H](c2nccnc2Oc2ccccc2)C1 72362242 LDVANWMVRJZBRG-MRXNPFEDSA-N 360.417 3.684 0 40 FHAB O=C(O)C1CCN(c2cc(Nc3cccc(C(F)(F)F)c3)ncn2)CC1 217361614 CQKFTKACMBJZBL-UHFFFAOYSA-N 366.343 3.540 0 40 FHAB O=c1n(Cc2cccc(C(F)(F)F)c2)nc2ccc(-c3ccccc3)nn12 49399376 YUXFPXQPNOAMGC-UHFFFAOYSA-N 370.334 3.625 0 40 FHAB CC(C)CNC(=S)Nc1ncc(Br)cc1Br 223876423 AYCBKZVHVYFQPM-UHFFFAOYSA-N 367.110 3.549 0 40 FHAB CSc1nnc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)s1 225232899 BRUKVFBYVSPUHQ-UHFFFAOYSA-N 370.308 3.509 0 40 FHAB Cc1nc(NC(=S)NCc2cccnc2)c(Cl)cc1Br 223937374 PHVKHGRFTSFRGP-UHFFFAOYSA-N 371.691 3.688 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 223624281 BOSFMUNVGQLAGY-IBGZPJMESA-N 366.505 3.708 0 40 FHAB Cc1nc(-c2cccc(F)c2)sc1C(=O)NCCCCCC(=O)O 49550386 SDAIQZPZTQKJMH-UHFFFAOYSA-N 350.415 3.632 0 40 FHAB COc1ccccc1NC(=O)Nc1ccccc1C(=O)NCc1ccco1 225766573 ALFVHXYCLPVTCV-UHFFFAOYSA-N 365.389 3.862 0 40 FHAB O=C(Nc1ccc(F)cc1)N1CC[C@@]2(CC(=O)N(c3cccc(F)c3)C2)C1 96238686 ACPOMOUYYHYZJA-HXUWFJFHSA-N 371.387 3.626 0 40 FHAB Cc1nnnn1-c1ccc(C(=O)Nc2cccc3c2ccn3CC(C)C)cc1 96230692 AZDVAVLRHUHQCX-UHFFFAOYSA-N 374.448 3.834 0 40 FHAB Cc1ccc(CN2CC[C@]3(COCc4cnc(-c5cccnc5)nc43)C2)cc1 96244252 TUZZMOQXBJRJCD-HSZRJFAPSA-N 372.472 3.521 0 40 FHAB O=C(c1cc2cc(F)ccc2s1)N1CC(N2CCc3sccc3C2)C1 390828509 RMJYBNBSSROPEY-UHFFFAOYSA-N 372.490 3.985 0 40 FHAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)n1 589579404 FOCDDRJVBMEXKA-FUHWJXTLSA-N 369.465 3.586 0 40 FHAB CCCNC(=O)Nc1ccc(CC(=O)NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)cc1 1165885256 NFGKKRUIRGYJPF-VQFNDLOPSA-N 359.514 3.949 0 40 FHAB O=C(NCCc1coc(-c2ccccc2)n1)c1cc(C(F)(F)F)ccn1 1626627339 DSEXHZUESSRFAG-UHFFFAOYSA-N 361.323 3.728 0 40 FHAB CC1=CC(C)(C)N2C(=O)[C@@](O)([C@@H]3CCCCCC3=O)c3cc(C)cc1c32 1740816845 YDGOTSBKDOPUKS-OPAMFIHVSA-N 353.462 3.874 0 40 FHAB CCOc1ccc2c(c1)C(c1cccnc1)=NNC(c1ccc(OC)cc1)=N2 5444645 SZMQMQXFFKAVBJ-UHFFFAOYSA-N 372.428 3.923 0 40 FHAB COc1cc(/C=C(/OC(C)=O)c2ccc3c(c2)OCO3)cc(OC)c1OC 5663728 HKWGPTPTKNBQTE-FRKPEAEDSA-N 372.373 3.502 0 40 FHAB CCC(=O)NC(=S)Nc1cc(C)c(O)c(-c2nc3ccccc3o2)c1 5945925 CBMQVOZUTWKYOS-UHFFFAOYSA-N 355.419 3.732 0 40 FHAB O=C(Cc1cccs1)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2)n[nH]1 12115764 TXPNRWUOBZISBH-OAHLLOKOSA-N 356.426 3.579 0 40 FHAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1 12925326 YUIRFHPUCPYGCA-OAQYLSRUSA-N 367.470 3.958 0 40 FHAB CCCN1C(=S)N[C@@H](c2ccccc2)C(C(=O)Nc2cc(C)on2)=C1C 12949135 IIDKILFGQLAPSZ-KRWDZBQOSA-N 370.478 3.537 0 40 FHAB COc1ccc(CNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 14265040 LFFUNJOZUJVRQP-UHFFFAOYSA-N 354.381 3.738 0 40 FHAB Cc1ccc(SCCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 15505568 GAWHWLJHOVTNLF-UHFFFAOYSA-N 356.491 3.953 0 40 FHAB C/C(=C\c1ccccc1)CN1CC[C@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1 19014344 XKBHAUROYYDXAC-UMEYKSNOSA-N 372.472 3.725 0 40 FHAB O=C(Nc1nnc(SCCN2CCCC2)s1)c1ccc(Cl)cc1 35316071 UPTHDMNGAKRFHO-UHFFFAOYSA-N 368.915 3.632 0 40 FHAB Cc1c(Cl)ccc2sc(N3CC[C@H](C(=O)NC(C)(C)C)C3)nc12 1889128185 CGJAFXDNUZPQSH-NSHDSACASA-N 351.903 3.999 0 40 FHAB CN(C)[C@@H](CNC(=O)c1ccc(-n2ccnc2)cc1)c1ccccc1Cl 29402778 STMSVCOCNUJVLQ-IBGZPJMESA-N 368.868 3.558 0 40 FHAB CC1(C)C[C@@]2(CCCN2C(=O)CCN2CCCC2)CN1c1cccc(F)c1 2037978422 VMZYKOFCMRSRPQ-QFIPXVFZSA-N 373.516 3.662 0 40 FHAB O=C1N(c2ccccc2)CCCC[C@@]12CN(Cc1ccc(F)cc1)CCO2 2037981183 YIVVARRLXUJYMR-JOCHJYFZSA-N 368.452 3.614 0 40 FHAB COc1ccc(CC(=O)NCCSc2ncc(-c3ccccc3)[nH]2)cc1 4315601 DQDSBAPAVMQITN-UHFFFAOYSA-N 367.474 3.536 0 40 FHAB COc1cccc(C(=O)Nc2nc3c(OC)ccc(OC)c3s2)c1OC 4479386 BOPHSTMZCDSZNK-UHFFFAOYSA-N 374.418 3.583 0 40 FHAB COc1ccc(-c2nnc(NC(=O)c3ccccc3SC)o2)c(OC)c1 4517447 ZAUPSEXOOKNOQJ-UHFFFAOYSA-N 371.418 3.728 0 40 FHAB CCOc1ccc(CC(=O)Nc2ccc3c(c2)CN(C(=O)CC)CC3)cc1 9035346 CYGFHJIAFAFDLL-UHFFFAOYSA-N 366.461 3.561 0 40 FHAB CCOc1ccc(N2CCn3c(SCc4cccnc4)nnc32)cc1 9651711 CKRBVBCPPZHINY-UHFFFAOYSA-N 353.451 3.516 0 40 FHAB O=C(NCc1ccnc(-c2cccs2)c1)c1cncc(Br)c1 244986073 JESCRNATNYJLAJ-UHFFFAOYSA-N 374.263 3.898 0 40 FHAB CCCCn1nc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)ccc1=O 40159775 CJCWQGRFOZNMJR-UHFFFAOYSA-N 371.771 3.551 0 40 FHAB O=C(CCCNC(=O)c1cccs1)Nc1cccc(OC(F)(F)F)c1 31032134 OHNCGPOSTLFLBX-UHFFFAOYSA-N 372.368 3.795 0 40 FHAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 69619795 IDLFVOWECITYNA-LPHOPBHVSA-N 355.457 3.652 0 40 FHAB CCC[C@H](C)NC(=O)COC(=O)c1cccnc1Sc1ccccc1 36818017 ZOWHWLASCMMNMC-AWEZNQCLSA-N 358.463 3.694 0 40 FHAB Cc1ccc2[nH]cc(-c3nnnn3-c3ccc(Br)cc3)c2c1 721413 UFUGSNYVYTVEPT-UHFFFAOYSA-N 354.211 3.882 0 40 FHAB Cc1nn(Cc2ccc(C(=O)N3CCCCC3)o2)c(C)c1Br 999854 MDRMOUCXAUOBQP-UHFFFAOYSA-N 366.259 3.530 0 40 FHAB CCNC(=S)N(Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 1224468 QKPTVNMNBPPOGP-UHFFFAOYSA-N 369.490 3.635 0 40 FHAB Cc1cccc(OCCCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 1773755 NBDGRODAQOVZJG-UHFFFAOYSA-N 372.490 3.832 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nc(-c2cccs2)n[nH]1 2653379 DRKCMCOBIHKGNJ-ZDUSSCGKSA-N 372.519 3.763 0 40 FHAB CCn1c(SCC(=O)NC2CCCCCC2)nnc1-c1cccs1 3289277 HOBQMRXZHZWQMZ-UHFFFAOYSA-N 364.540 3.958 0 40 FHAB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1cc(Cl)ccc1Cl 3437064 GDINZIJDENMTMM-UHFFFAOYSA-N 368.172 3.518 0 40 FHAB Cc1ccc(S(=O)(=O)CCC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 8238399 ZOJBQRRAXAIYNO-HNNXBMFYSA-N 371.458 3.782 0 40 FHAB CCN(CCOc1ccc(Cl)cc1)CC(=O)Nc1cccc(OC)c1 6977788 OFYLXORNKUMXLT-UHFFFAOYSA-N 362.857 3.688 0 40 FHAB C[C@@H](OC(=O)c1cccnc1Cl)C(=O)Nc1ccc(C(F)(F)F)cc1 2665199 KDADQZUROOFYTJ-SECBINFHSA-N 372.730 3.938 0 40 FHAB CC(=O)N[C@H]1C(=O)N(Cc2ccccc2OC(C)C)c2c(C)cc(C)cc21 8047767 FIWSBIPLTNYVME-HXUWFJFHSA-N 366.461 3.815 0 40 FHAB CCOC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 8089279 PZFQNINJFOHHCR-UHFFFAOYSA-N 374.853 3.638 0 40 FHAB CC(C)C[C@@H](NC(=O)CCn1ncc(=O)c2ccccc21)c1ccccc1 32820316 RGRPGNRLPBRMAY-LJQANCHMSA-N 363.461 3.690 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 8556593 VYJPLVDQXPPNCV-SDNWHVSQSA-N 352.434 3.875 0 40 FHAB O=c1ccn(/C=C(/c2ccccc2)[S@@](=O)Cc2ccccc2)c(=S)[nH]1 8665325 PEIXJCIIORKYCP-SIBHWIETSA-N 368.483 3.810 0 40 FHAB COc1cccc(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)c1 2725250 NXZAFQBDKMEFEU-UHFFFAOYSA-N 354.284 3.504 0 40 FHAB C[C@H](NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C1CC1 8204481 ODCUYCNGTPCWHB-ZDUSSCGKSA-N 357.837 3.865 0 40 FHAB COc1ccc([C@@H]2Oc3ccccc3C(=O)N2C(=O)Cc2ccccc2)cc1 59500936 ZTZXBLSZFSOOHO-QHCPKHFHSA-N 373.408 3.998 0 40 FHAB CCn1c(=S)[nH]c2cc(C(=O)Nc3cc(OC)ccc3OC)ccc21 9338700 AKWPLAAHYFTVBV-UHFFFAOYSA-N 357.435 3.988 0 40 FHAB COc1ccc(OC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 9445868 RGLHGMKXKVPWRD-UHFFFAOYSA-N 373.364 3.715 0 40 FHAB C[C@@H](Sc1nc(C(C)(C)C)n[nH]1)C(=O)Nc1ccc(F)c(F)c1F 12257449 BWQRKRISHBDBFB-SSDOTTSWSA-N 358.389 3.639 0 40 FHAB CC(C)c1ccc([C@@H]2CC(=O)Nc3c2c(=O)[nH]c2nc4ccccc4n32)cc1 12323624 CNTNOSXPPSKEDW-HNNXBMFYSA-N 372.428 3.773 0 40 FHAB COc1cc(C)c(N[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1OC 22507957 KNPPYBNYWAVBHQ-CYBMUJFWSA-N 356.422 3.654 0 40 FHAB Cc1ccc(C)c(OCc2nnc(SCc3noc(C4CC4)n3)o2)c1 52889219 CKHGYNZUFJVYSY-UHFFFAOYSA-N 358.423 3.818 0 40 FHAB CC(=O)Nc1ccc(F)c(NC(=O)c2cc(F)ccc2Br)c1 23003469 FITNAZSTXOXNAX-UHFFFAOYSA-N 369.165 3.938 0 40 FHAB COC(=O)c1c(NC(=O)c2cccc(OC)c2)sc2c1CC[C@@H](C)C2 994766 FFRHQVKBRQKNLA-LLVKDONJSA-N 359.447 3.920 0 40 FHAB O=C(CSc1nnc(-c2ccco2)o1)Nc1ncc(Cl)cc1Cl 3255780 OCIBCQIQYRCMKU-UHFFFAOYSA-N 371.205 3.762 0 40 FHAB Cc1ccccc1C(=O)Nc1ncc(I)cc1C 1383771 FPVUSVCASCOLKM-UHFFFAOYSA-N 352.175 3.555 0 40 FHAB O=C(/C=C/c1cccc2cccnc12)Nc1ccc(CN2CCOC2=O)cc1 55788220 ICJHHYAYCITCDT-DHZHZOJOSA-N 373.412 3.839 0 40 FHAB CCc1nn2c(=O)cc(CNc3ccccc3OC3CCCC3)nc2s1 55874008 TXRPGEDATMMZTA-UHFFFAOYSA-N 370.478 3.647 0 40 FHAB O=C(NCc1cccc(NC(=O)c2ccncc2)c1)c1cccc(Cl)c1 55986536 DHGGCXQOIAZYQC-UHFFFAOYSA-N 365.820 3.917 0 40 FHAB O=C(NCCC(=O)N1CCC[C@@H]1c1cccc2ccccc12)c1ccco1 56362913 AFOOSUSDAJSBDR-LJQANCHMSA-N 362.429 3.916 0 40 FHAB C[C@@H](Sc1nncn1C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3395126 SFXNYBQMIZMRDB-SSDOTTSWSA-N 364.780 3.607 0 40 FHAB Cc1ccccc1CN1CCCN(C(=O)/C=C/c2ccccc2F)CC1 27387283 KGVNMEPIFWKWKQ-VAWYXSNFSA-N 352.453 3.882 0 40 FHAB COc1cccc(NC(=O)Cn2c(-c3cccc(C)c3)n[nH]c2=S)c1 12783726 CYKCTMJLSAESMF-UHFFFAOYSA-N 354.435 3.563 0 40 FHAB O=C(NCc1cccc(COCc2ccco2)c1)c1cccc2cn[nH]c12 48273685 FSUZGLQXEYWOFO-UHFFFAOYSA-N 361.401 3.803 0 40 FHAB COc1cc(C)ccc1OS(=O)(=O)Cc1ccccc1C(F)(F)F 58370765 NNGNHDFQHBIBHG-UHFFFAOYSA-N 360.353 3.931 0 40 FHAB COCc1ccccc1CNS(=O)(=O)c1cc(Cl)cc(Cl)c1 28055526 CRWSMOHIQLYODB-UHFFFAOYSA-N 360.262 3.618 0 40 FHAB O=C(Cc1ccccc1F)NCc1ccc(OCc2cccnc2)cc1 36391000 KLELGAMVELWSHN-UHFFFAOYSA-N 350.393 3.659 0 40 FHAB O=C1O[C@H](C(=O)N2CCSc3ccc(Cl)cc32)Cc2ccccc21 48356645 FZHPHDOJNNHFIR-HNNXBMFYSA-N 359.834 3.560 0 40 FHAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1cc(Cl)ccc1F 10901402 MHBCCJOTBYIATA-UHFFFAOYSA-N 362.832 3.588 0 40 FHAB COc1ccc(Br)c(C(=O)Nc2ccc(OC)c(OC)c2)c1 3455017 OIOIHJFNXMZEGP-UHFFFAOYSA-N 366.211 3.727 0 40 FHAB COC(=O)c1cc(NC(=O)Cc2nc(-c3ccccc3)oc2C)ccc1F 12998946 HMERWKAELLZKKM-UHFFFAOYSA-N 368.364 3.757 0 40 FHAB CS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)c1 12988675 GSFNSCRGCXCNBH-UHFFFAOYSA-N 363.438 3.914 0 40 FHAB Cc1ccc(-n2nc(C)cc2NC(=O)CSc2nc(C)cs2)cc1 13003774 DKBZMYJSRHTPLB-UHFFFAOYSA-N 358.492 3.985 0 40 FHAB C[C@H](OC(=O)c1cccc2c1O[C@@H](C)[C@H]2C)C(=O)NCc1ccc(F)cc1 8484905 IRBWDEQJIYBAIQ-RDBSUJKOSA-N 371.408 3.572 0 40 FHAB C[C@]12COc3ccc(Br)cc3[C@H]1c1sc(=O)[nH]c1SC2 4302813 NCLGKAGYNWJNJI-IINYFYTJSA-N 370.293 3.835 0 40 FHAB Cc1nc(-c2ccc(NC(=O)c3ccc(-n4cncn4)cc3)cc2)cs1 14139134 DPRNSJKIYIHYSR-UHFFFAOYSA-N 361.430 3.952 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)/C=C/c3ccc([C@@H]4C[C@H]4C)o3)ccc21 14168997 HRMWNIXCONTECG-FPPMHPPKSA-N 350.418 3.964 0 40 FHAB CN(Cc1ccc(Cl)s1)Cn1nc(-c2cccnc2)n(C)c1=S 14114519 MUEQGIZAUGSYOI-UHFFFAOYSA-N 365.915 3.817 0 40 FHAB COc1cc([C@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)ccc1O 4554000 ICDMGXTXVZYCDH-KRWDZBQOSA-N 373.478 3.658 0 40 FHAB Cn1ncc2c1NC(=O)C[C@@H]2c1ccc(OCc2ccccc2F)cc1 66091713 FWZINHKYYMXKID-MRXNPFEDSA-N 351.381 3.612 0 40 FHAB Cc1ccc(-c2nnc(SCCCC(=O)c3ccccc3)n2N)cc1 6947777 VJGNHFXNEAZIFO-UHFFFAOYSA-N 352.463 3.723 0 40 FHAB COc1cc(OC)cc(-c2nnc(SCc3nccn3C(F)F)o2)c1 8746343 BKQSHPPBKVTMOC-UHFFFAOYSA-N 368.365 3.638 0 40 FHAB O=C(Cc1csc(-c2ccccc2)n1)N1CC[C@]2(O)CCCC[C@H]2C1 80336632 KYNSHKBJKIYDAD-OXJNMPFZSA-N 356.491 3.506 0 40 FHAB COc1ccc(CN(C)C(=O)c2ccccc2Br)c(OC)c1 7304831 KJJIOJBILRZAQD-UHFFFAOYSA-N 364.239 3.739 0 40 FHAB COc1cc(NC(=O)CNc2cccc(C(F)(F)F)c2)cc(OC)c1 7784828 CCXSHHNHKGHCMW-UHFFFAOYSA-N 354.328 3.773 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1OCC 7927769 MINWXFAAOSAWQT-UHFFFAOYSA-N 357.378 3.563 0 40 FHAB O=C(c1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 68740904 GFFLOCJSPKZTQX-UHFFFAOYSA-N 355.390 3.858 0 40 FHAB CCc1ccc2c(CC(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)coc2c1 8014571 DSBHJQQHXGKXOV-GFCCVEGCSA-N 364.401 3.896 0 40 FHAB O=C(NC[C@H](O)c1ccccc1)c1ccc2nc(-n3cccc3)sc2c1 8990354 WQMXEOJRVXPVFB-KRWDZBQOSA-N 363.442 3.550 0 40 FHAB COC(=O)N[C@H](C(=O)Nc1ccc2c(Cl)ccc(Cl)c2n1)C(C)C 96002252 FXRBHCUOZYKJMB-ZDUSSCGKSA-N 370.236 3.861 0 40 FHAB COc1ccc([C@H](NC(=O)Nc2cccc(Cl)c2)c2nccn2C)cc1 9338087 JFRJSYINLKIANA-KRWDZBQOSA-N 370.840 3.993 0 40 FHAB COc1ccc([C@@H]2S[C@@H](C)C(=O)N2c2ncc(C)s2)cc1OC 19927648 SMVJVJXMONMNQJ-BONVTDFDSA-N 350.465 3.636 0 40 FHAB Cc1ccc(OCCC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 9642955 APYZTRSZWFJQSX-UHFFFAOYSA-N 374.868 3.893 0 40 FHAB CCCn1cc(NC(=O)c2ccsc2-n2c(C)ccc2C)ccc1=O 84760605 QYQOXPLATYDDCV-UHFFFAOYSA-N 355.463 3.980 0 40 FHAB COc1ccc(CCc2nc3nccc(-c4ccc(OC)cc4)n3n2)cc1 95477886 RDRMXTNRCWEVNX-UHFFFAOYSA-N 360.417 3.594 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCCCC12OCCO2 89448793 DMXRMXIREDDACR-XHDPSFHLSA-N 374.264 3.563 0 40 FHAB Cc1ccc2c(CC(=O)NCc3cccnc3)c(Br)oc2c1 27587455 YJJIZVHPZBAASG-UHFFFAOYSA-N 359.223 3.758 0 40 FHAB CCCNC(=O)c1cccc(NC(=O)c2csc(Br)c2)c1 32931421 GACVWCFLWSGUDQ-UHFFFAOYSA-N 367.268 3.903 0 40 FHAB COCCC(=O)Nc1c(C)nn(COc2ccc(Cl)cc2Cl)c1C 32610233 HHQDTFGWVABYPG-UHFFFAOYSA-N 372.252 3.818 0 40 FHAB Oc1cc(C2CCN(Cc3ccc(F)cc3)CC2)nc(-c2cccnc2)n1 72392739 WJKXEWUIENASRJ-UHFFFAOYSA-N 364.424 3.763 0 40 FHAB CCOC(=O)[C@H]1C[C@H]2CC[C@]1(C)C[C@]21NC(=O)c2cc(Cl)ccc2N1 72327367 OZSYVNDSCSKJEF-IHHCABKOSA-N 362.857 3.581 0 40 FHAB CC1CCN([C@H](CNC(=O)c2ccccc2Br)C(C)C)CC1 32914902 WUWJONBMRVNKJU-QGZVFWFLSA-N 367.331 3.935 0 40 FHAB Cc1cccc(C)c1NC(=O)COc1ccc(Cl)cc1-n1cnnc1 32646735 GOQKMKZAVNBTQJ-UHFFFAOYSA-N 356.813 3.555 0 40 FHAB COc1ccc(CNC(=O)COc2ccc(C(C)C)cc2)c(OC)c1OC 218960497 WZQHVVKPHHSQSN-UHFFFAOYSA-N 373.449 3.531 0 40 FHAB Cc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)Cc3cccnc3)C2)c1 72358816 SYSMNBVAJDFMPT-FQEVSTJZSA-N 372.472 3.796 0 40 FHAB COc1ccc2c(c1)CCC[C@H]2NC(=O)C1(c2ccccc2)CCOCC1 225554856 CLFARCBQBNDGCN-OAQYLSRUSA-N 365.473 3.937 0 40 FHAB Cc1cccc(CSCC(=O)NCc2nc(-c3cccc(C)c3)no2)c1 222746613 NFLYHKVIUWIXPQ-UHFFFAOYSA-N 367.474 3.903 0 40 FHAB CC(C)c1ccccc1OCCNS(=O)(=O)Cc1ccc(Cl)cc1 223777999 NKANDFHHJZAORJ-UHFFFAOYSA-N 367.898 3.962 0 40 FHAB CCOc1ccccc1CNC(=S)Nc1ccc(N2CCCC2=O)cc1 225443146 HNTSCXBLTWJJSW-UHFFFAOYSA-N 369.490 3.699 0 40 FHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1 225699646 HKWMZPXRHQGKRW-FQEVSTJZSA-N 352.478 3.561 0 40 FHAB CCOc1ccccc1NC(=S)NCc1cccc(N2CCCC2=O)c1 225646023 BLPWINWBAOBZIC-UHFFFAOYSA-N 369.490 3.699 0 40 FHAB COC(=O)c1cccc(NC(=S)N[C@H](C)COc2ccccc2)c1C 225782890 BAVQPOUDNIUTTL-CYBMUJFWSA-N 358.463 3.536 0 40 FHAB COc1ccc2cc(S(=O)(=O)Nc3ccc(OC)c(OC)c3)ccc2c1 224002762 BCYOSHHTKNRSBJ-UHFFFAOYSA-N 373.430 3.666 0 40 FHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)[nH]1 223845600 LWRKNDTUJBESGE-RTBURBONSA-N 364.474 3.909 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 223580304 FSPKQNZPNDNTNQ-IBGZPJMESA-N 366.505 3.708 0 40 FHAB C[C@H]1CCCCN1C(=O)c1cc(-c2cnc(-c3cccnc3)nc2)cn1C 96266386 CNYNTGDVFPUSRL-HNNXBMFYSA-N 361.449 3.559 0 40 FHAB C[C@H]1CCCCN1C(=O)c1cc2c(c3ccccc3n2C)n1C(=O)N(C)C 96146315 OVPUFWYXYWVOLN-AWEZNQCLSA-N 366.465 3.677 0 40 FHAB Cc1nc([C@@H]2COCCN2C(=O)CCc2ccc(Cl)cc2)cs1 96218735 QOYIMLCSGJKGHZ-INIZCTEOSA-N 350.871 3.638 0 40 FHAB CCCn1nccc1-c1ccc(C[C@H]2CCN(C(=O)C(C)(C)C)C2)cn1 257248247 JCURSDBCJZEKIX-QGZVFWFLSA-N 354.498 3.792 0 40 FHAB Cc1noc(C)c1-c1ccc([C@H]2CCCN(C(=O)c3cccnc3)C2)nc1 257225283 FFORVIZCLCDHNB-SFHVURJKSA-N 362.433 3.768 0 40 FHAB Fc1ccc(-c2cnc3nccc([C@H]4CCCN4c4ncccn4)n23)cc1 257217279 CYIFTICRJAITMU-MRXNPFEDSA-N 360.396 3.667 0 40 FHAB CC(C)n1nccc1C(=O)N1C[C@H]2[C@@H](Oc3cccc(F)c3)CC[C@H]2C1 257323138 WIXDHTHXZCEOII-YJLNNSPDSA-N 357.429 3.533 0 40 FHAB O=C(OCc1nnsc1Cl)[C@@H]1C[C@H]1c1cccc(Br)c1 50020839 YNOZATBLUGCEQH-VHSXEESVSA-N 373.659 3.801 0 40 FHAB CC[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](c3ccc(F)c(F)c3)C2)CCO1 624228551 VHDSQZAHFACBQE-HRCADAONSA-N 352.425 3.811 0 40 FHAB Cc1cc(NC2CC(n3cccn3)C2)cc(N2CCN(C(C)C)CC2)c1 639099038 NPKGZKRKPNVPJX-UHFFFAOYSA-N 353.514 3.538 0 40 FHAB O=S(=O)(Cc1ccc(Cl)cc1Cl)NC[C@H]1Cc2ccccc21 679431316 MHCVYUZUORWSEE-CYBMUJFWSA-N 356.274 3.753 0 40 FHAB C[C@H]1CN(c2ccc3cn[nH]c3c2)C(=O)CN1Cc1ccc(Cl)s1 82127206 AJLWVQHBCHCAOP-NSHDSACASA-N 360.870 3.515 0 40 FHAB C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2csc(-c3ccco3)n2)C1 58159819 QKBIGEZFKKKZGH-HOCLYGCPSA-N 367.474 3.968 0 40 FHAB CC(C)[C@H](NC(=O)CN1C(=O)CSc2ccccc21)c1ccccc1 57908342 ZTTKFBNJDUMDOT-FQEVSTJZSA-N 354.475 3.639 0 40 FHAB Cc1cn(-c2ccccc2Cl)nc1NC(=O)c1ccc([S@@](C)=O)cc1 92645539 VKVLQKRAGYPKQH-VWLOTQADSA-N 373.865 3.824 0 40 FHAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)N1CCC(n2cccc2)CC1 84687011 MYFYXOXZWFNEIS-PBHICJAKSA-N 369.440 3.699 0 40 FHAB Cc1ccc(N2CCC[C@H](C(=O)Nc3cccc(Cl)c3Cl)C2)nn1 585235228 TZXGBWFZZOBJIU-LBPRGKRZSA-N 365.264 3.947 0 40 FHAB COc1c2c(cc3c1CCC(C)(C)O3)OC[C@@H](c1ccc(O)cc1O)C2 1615235373 UKVRDJKAWOLCBG-LBPRGKRZSA-N 356.418 3.929 0 40 FHAB biogenic Cc1cccc(CC2CN(C(=O)N[C@H](C)[C@@H]3COc4ccccc43)C2)c1 1616045575 LMXCDDVAHJZPQE-UZLBHIALSA-N 350.462 3.744 0 40 FHAB Clc1ccccc1-n1ncc2c1ncn1nc(-c3cccs3)nc21 5246863 RXEFOFGSLGPYJB-UHFFFAOYSA-N 352.810 3.845 0 40 FHAB Cc1nc2cc([C@@H]3CCCCN3Cc3ccccc3F)nn2c(O)c1C 12337773 JBXXSTXBQSZVIA-SFHVURJKSA-N 354.429 3.918 0 40 FHAB Cc1ccc(NC(=O)CCc2c(C)[nH]n(-c3ccc(F)cc3)c2=O)cc1C 12746352 ANMSWSNKOJJLEV-UHFFFAOYSA-N 367.424 3.801 0 40 FHAB COc1ccc(-n2c(S)nnc2-c2ccccc2Br)cc1 13534194 CLOBXVYKZVGBCC-UHFFFAOYSA-N 362.252 3.994 0 40 FHAB O=C1N[C@]2(CCS1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 16712047 OEAITSXEKASUBS-LPHOPBHVSA-N 351.431 3.730 0 40 FHAB CCCC(=O)N1CCC[C@](Cc2ccc(-c3ccccc3)cc2)(C(N)=O)C1 19501189 ZBHLKQXJVPPCHU-HSZRJFAPSA-N 364.489 3.790 0 40 FHAB CCCn1nc(C)c(CN(Cc2ccccn2)C[C@@H]2CCCN2CC)c1C 19525839 AAIROKZFBDGWML-NRFANRHFSA-N 369.557 3.791 0 40 FHAB Brc1cccc(CN2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 19842137 SWYIISUVTWEOOY-NJAFHUGGSA-N 361.327 3.779 0 40 FHAB COc1cccc([C@H]2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)C[C@@H]2O)c1 19563961 WGAINASHQCDRLU-CQAHELDESA-N 369.505 3.588 0 40 FHAB COCC(=O)OCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 2658376 BRWBGMLWQYMAMQ-UHFFFAOYSA-N 365.838 3.619 0 40 FHAB CCOc1ccccc1NC(=O)NCCc1ccc(-c2ccnn2C)cc1 1889085922 UUBADDOYUMTBMA-UHFFFAOYSA-N 364.449 3.850 0 40 FHAB COc1ccc([C@@]2(O)CN(c3cc(C)ccc3C)C3=[N+]2CCCC3)cc1 2966275 GCFHHIRLATYUIF-QFIPXVFZSA-N 351.470 3.572 0 40 FHAB CCOc1ccccc1C(=O)N(CN1CCCC1=O)c1cccc(Cl)c1 4118784 OZVYWCLZQIBMQG-UHFFFAOYSA-N 372.852 3.965 0 40 FHAB Cc1ccc(-c2cc(=O)n(CC(=O)N3CCCc4cc(C)ccc43)cn2)cc1 13807025 ZXXVYVJZTDPHOS-UHFFFAOYSA-N 373.456 3.507 0 40 FHAB COc1ccccc1NC(=O)N1CCC[C@@H](COc2ccnc(C)c2)C1 1775970345 CPBZGFHSUDPTIS-MRXNPFEDSA-N 355.438 3.722 0 40 FHAB CCCN1CCCc2cc(CCNC(=O)c3cccc(OC)c3)ccc21 35588083 LMALOSHUNNOZGI-UHFFFAOYSA-N 352.478 3.830 0 40 FHAB O=C(Cc1ccsc1)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 220924738 PWGIRUPMBOFSNW-CYBMUJFWSA-N 373.503 3.883 0 40 FHAB CC(=O)Nc1ccc2nc(NC(=O)c3cc(C)nn3C(C)C)sc2c1 38502601 BBUDOMSXKZBBFL-UHFFFAOYSA-N 357.439 3.593 0 40 FHAB O=C(NC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C1CCC1 363664159 BIMNTTKJCPUSSM-UHFFFAOYSA-N 361.795 3.639 0 40 FHAB CC(=O)N(c1nnc(S[C@@H](C)C(=O)c2ccc(C)cc2)s1)C1CC1 25771854 BGQHNQYQAVDJEP-NSHDSACASA-N 361.492 3.725 0 40 FHAB CCO[C@H](C)C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 40093186 OZSVRMCCPRMYAC-QGZVFWFLSA-N 363.461 3.923 0 40 FHAB COc1cc(/C=C(\C)c2noc(-c3ccccc3O)n2)ccc1OC(C)=O 40312954 JPCFHDPNBBGZAF-ZRDIBKRKSA-N 366.373 3.937 0 40 FHAB biogenic COc1cc(/C=C/C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc(OC)c1 16054150 IDPZOKDJOUXORS-QPJJXVBHSA-N 365.385 3.771 0 40 FHAB Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)OCc2ccccc2)cc1C 831397 FWEXCJNJQKWFSF-GOSISDBHSA-N 370.474 3.954 0 40 FHAB CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H]3CC=CCC3)n2)cc1 7735382 LJTRUJWDWSLXCY-MRXNPFEDSA-N 355.463 3.741 0 40 FHAB OCCc1ccc(-n2cnc3c(Nc4ccc(Cl)cc4)ncnc32)cc1 2022011 WZKFCWOSEBSMCM-UHFFFAOYSA-N 365.824 3.747 0 40 FHAB CC[C@@H](C)[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)O 20737535 SBKQMWFYTHNZEP-BMIGLBTASA-N 366.870 3.622 0 40 FHAB CCc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)OC)c3N2)s1 2776746 SQKYMRWBOYCNHA-JQWIXIFHSA-N 359.373 3.954 0 40 FHAB O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccccc1Cl 3220156 XTFOODNGHNIXPG-UHFFFAOYSA-N 356.809 3.936 0 40 FHAB COc1cccc(NC(=O)CSc2nnc(C)n2-c2ccc(C)cc2)c1 4835952 CPYOJSQLBXUSFK-UHFFFAOYSA-N 368.462 3.624 0 40 FHAB CCc1nc(NCCNC(=O)c2cccc(F)c2)c2c(C)c(C)sc2n1 4882412 GZHOHHOFQSVDRS-UHFFFAOYSA-N 372.469 3.852 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@H](N)c2ccccc2)cc1 4978414 UOPFIWYXBIHPIP-RTWAWAEBSA-N 366.486 3.715 0 40 FHAB C[C@H](C1CC1)n1[nH]cc/c1=N\C(=O)c1ccc(C(=O)c2ccccc2)cc1 101985448 YQJBSFFFZODPPB-YWNOGDAOSA-N 359.429 3.759 0 40 FHAB O=C(COc1ccc(F)cc1Br)NCc1ccc(Cl)cc1 6231085 ZWUXHBOYFLEBGW-UHFFFAOYSA-N 372.621 3.937 0 40 FHAB COc1ccc(C(=O)NCc2cc(C(=O)O)c(-c3ccccc3)o2)cc1 6405171 GEEBKKQKGVTEDQ-UHFFFAOYSA-N 351.358 3.583 0 40 FHAB CCc1cc2c(SCC(=O)Nc3ccccc3OC)ncnc2s1 6942887 GWHCCIZPEJPKRJ-UHFFFAOYSA-N 359.476 3.993 0 40 FHAB CCC[C@@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 6945604 ZPUPHHHOUGUELD-MRXNPFEDSA-N 374.506 3.739 0 40 FHAB O=C(Nc1ccccc1)c1ccc(Cn2ncc(Cl)c(Cl)c2=O)cc1 7747313 DTLOEXNFSLNSCF-UHFFFAOYSA-N 374.227 3.851 0 40 FHAB Cc1cc(NC(=O)CCN2CCC[C@H]2c2nc3ccccc3s2)no1 46437956 ZLLDDGIUQCAJNO-AWEZNQCLSA-N 356.451 3.758 0 40 FHAB CCCc1nnc(SCCCOc2ccc(C=O)cc2OCC)n1C 8731694 LMOHIENTGFESRY-UHFFFAOYSA-N 363.483 3.540 0 40 FHAB Cc1nc2ccccc2n1CC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 46508040 LOPVEWQPJLKMDL-SFHVURJKSA-N 365.433 3.541 0 40 FHAB CN(CCOc1cccc(Cl)c1)C(=O)c1ccc(-n2cccn2)cc1 21709873 VJSPBFYKSZYPTC-UHFFFAOYSA-N 355.825 3.677 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1nc(CC2CCCC2)n[nH]1 12155632 OLNFOOPAZOIXMD-CYBMUJFWSA-N 374.510 3.974 0 40 FHAB Cc1ccccc1[C@@H]1CN(CCOc2cccc(C(=O)O)c2)[C@@H](C)CO1 517381482 KXVCJIBBGJOWPY-JXFKEZNVSA-N 355.434 3.534 0 40 FHAB O=C(NC(=S)NC1CCCC1)c1cccc(OCc2ccccc2)c1 9140198 ZYNACFBPNBZQDG-UHFFFAOYSA-N 354.475 3.813 0 40 FHAB COCC(=O)Nc1cccc(NC(=O)c2c(Cl)c3ccccc3n2C)c1 41689989 MBTJJMARQPQSLP-UHFFFAOYSA-N 371.824 3.669 0 40 FHAB Cc1ccc(-n2c(SCc3ccc(F)cc3)nc3c(=O)[nH]cnc32)cc1 12462155 SXETUOKNFIUUAG-UHFFFAOYSA-N 366.421 3.849 0 40 FHAB biogenic,in-vitro CCN1CCC[C@H]1CN[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 103952045 XFYNEJAINDSACU-MJGOQNOKSA-N 367.493 3.880 0 40 FHAB CC(C)[C@H](C(=O)Nc1ccc(N2CCOCC2)nc1)c1ccc(Cl)cc1 22995134 RDPGXGBWNAKEAI-IBGZPJMESA-N 373.884 3.950 0 40 FHAB CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)NC1=S 105139902 NFMXHECUHSVEJP-PDGQHHTCSA-N 352.459 3.652 0 40 FHAB CCOC(=O)c1c(NC(=O)CSc2ccccn2)sc2c1CCC2 3139751 SSPFMZYYQQYFSN-UHFFFAOYSA-N 362.476 3.539 0 40 FHAB C[C@@H](NC(=O)CSc1nccc(C(F)(F)F)n1)[C@@H]1C[C@H]2CC[C@H]1C2 106859395 MKESMYDCRFRKBI-RHYQMDGZSA-N 359.417 3.528 0 40 FHAB C[C@H]1CN(C(C)(C)CNC(=O)c2ccc3c4c(cccc24)CC3)C[C@@H](C)O1 25408764 ZVAAMMZUONRVCF-IYBDPMFKSA-N 366.505 3.556 0 40 FHAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)C(c1ccccc1)c1ccccc1 1513546 QVEDURKSSUBWSO-FQEVSTJZSA-N 359.425 3.631 0 40 FHAB CCc1nnc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)s1 28248444 JMORGSIFXJFDGF-UHFFFAOYSA-N 351.497 3.949 0 40 FHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc(C)c2C)cc1OC 1993419 NQGUKNMALKIIMD-PKNBQFBNSA-N 369.417 3.516 0 40 FHAB CN(C)C1(CNC(=O)c2cnn(-c3ccccc3)c2C2CC2)CCCCC1 44669079 MTLCBOSDEXEXHD-UHFFFAOYSA-N 366.509 3.744 0 40 FHAB O=S(=O)(c1ccc(Oc2ccc(Cl)c(Cl)c2)nc1)N1CCCC1 12606592 XODNSTLPRLRTQJ-UHFFFAOYSA-N 373.261 3.965 0 40 FHAB Cc1ccc(OCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 12654974 BHLBPBUZEWSINW-UHFFFAOYSA-N 371.824 3.736 0 40 FHAB COCC(=O)Nc1ccc(Nc2ncnc3sc4c(c23)CCCC4)cc1 44724939 BSOJSXBONREYPE-UHFFFAOYSA-N 368.462 3.899 0 40 FHAB COc1ccc([C@H](CNC(=O)c2ccccc2C)N2CCCCC2)cc1 27667725 KSNUVMJVAJBFOS-NRFANRHFSA-N 352.478 3.961 0 40 FHAB biogenic CCc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 3325682 FBZQNPICPAWZBI-UHFFFAOYSA-N 353.390 3.806 0 40 FHAB CCCCOc1ccc(S(=O)(=O)N2CCN=C2c2ccccc2)cc1C 27824392 OHODWFFQQNYIPV-UHFFFAOYSA-N 372.490 3.625 0 40 FHAB Cc1nc2ccccc2nc1SCCCN1C(=O)c2ccccc2C1=O 28191299 RQWLIAQWKKSNIE-UHFFFAOYSA-N 363.442 3.717 0 40 FHAB CC[C@@H](C)[C@H](C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 12752588 IBNGMHMDVQODHB-BEFAXECRSA-N 374.506 3.705 0 40 FHAB O=C(CCCCCCN1C(=O)c2ccccc2C1=O)N1CCCCCC1 2316871 LDAFJXXORHADTD-UHFFFAOYSA-N 356.466 3.636 0 40 FHAB CCC(=O)Nc1ccc(C)c(NC(=O)N2CCC(CN3CCCC3)CC2)c1 48325050 VHCVRVKHEXEXQY-UHFFFAOYSA-N 372.513 3.683 0 40 FHAB O=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(-c2nnco2)cc1 12879405 NRLCILXWDKYMCX-UHFFFAOYSA-N 368.481 3.655 0 40 FHAB CN(C)[C@@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1ccco1 3431015 NIJIYSZTAHLMHF-KRWDZBQOSA-N 362.429 3.936 0 40 FHAB C[C@@H]1CCc2sc(C(=O)OCC(=O)Nc3ccc(F)cc3F)cc2C1 3445479 VLNUKRKSQQOZFZ-SNVBAGLBSA-N 365.401 3.947 0 40 FHAB C[C@@H]1CC(=O)c2c(OCC(=O)NCc3ccccc3Cl)ccc(F)c21 13008964 CZKLFGLHPRTEMN-LLVKDONJSA-N 361.800 3.864 0 40 FHAB O=C(OCC(=O)N1CCC[C@@H]1c1cccs1)c1cc2ccccc2[nH]1 13165296 PIFFJENVJXXTDY-MRXNPFEDSA-N 354.431 3.750 0 40 FHAB O=C(O[C@H](c1ccccc1)c1ccccn1)c1cccc(N2CCNC2=O)c1 64459961 PAYOERFNNYOPEV-HXUWFJFHSA-N 373.412 3.558 0 40 FHAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3[C@H]4C(=O)O[C@@H]5C[C@H]3C[C@H]45)cc2)cc1 5049576 AAUKRGAXEWETSV-UQSIQIAASA-N 363.413 3.923 0 40 FHAB COc1cc(NC(=O)[C@H](C)N(C)Cc2ccc(Cl)s2)cc(OC)c1 18939009 FSLCZUKWRNIYJO-NSHDSACASA-N 368.886 3.878 0 40 FHAB COc1ccc(C)cc1NC(=O)c1nnn(-c2ccc(C)c(F)c2)c1C 4484189 JCKRLBNHFNPLII-UHFFFAOYSA-N 354.385 3.593 0 40 FHAB Cc1nc(SCC(=O)N(C)Cc2c(F)cccc2Cl)nc(C)c1C 14021792 FQSZZWJBTUIEKK-UHFFFAOYSA-N 367.877 3.945 0 40 FHAB O=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)OCc1ccccc1 5399654 ZUNPJXIRUKSEES-UHFFFAOYSA-N 370.408 3.807 0 40 FHAB CS(=O)(=O)c1ccc(-c2csc(NCCc3cccs3)n2)cc1 14103840 HTXMZXQQQAVQFC-UHFFFAOYSA-N 364.517 3.930 0 40 FHAB COc1ccc2c(C)c(CC(=O)NCc3ccc(Cl)cc3)c(=O)oc2c1 4540658 JMDDEPUFUGQTCK-UHFFFAOYSA-N 371.820 3.622 0 40 FHAB CCOC(=O)c1sc(NC(=O)c2ccccc2C(F)(F)F)nc1C 8477290 QVVPNMPUXJPUQG-UHFFFAOYSA-N 358.341 3.899 0 40 FHAB COc1ccc2c(C)c(CC(=O)Nc3cccc(Cl)c3)c(=O)oc2c1 6660269 NKSUSRVXDQMMIS-UHFFFAOYSA-N 357.793 3.945 0 40 FHAB CCCCN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21 4784346 NOTFKZGFLWFQGP-HXUWFJFHSA-N 357.837 3.947 0 40 FHAB COc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(OC)c1 7057278 QXWWSHQMIPCYIJ-UHFFFAOYSA-N 361.341 3.523 0 40 FHAB O=C(Nc1ccc(Br)cc1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 80345143 RCGYBZXQRRSJRW-LSDHHAIUSA-N 374.234 3.963 0 40 FHAB Cc1ccsc1C(=O)OCC(=O)c1ccc(NC(=O)c2ccco2)cc1 9387568 AEBDQLVYRFODJR-UHFFFAOYSA-N 369.398 3.942 0 40 FHAB CN(Cc1ccc(OC[C@H]2CCCO2)cc1)Cc1nc2ccccc2n1C 93795422 BOWJAKOOUDHDLU-LJQANCHMSA-N 365.477 3.763 0 40 FHAB CC(C)[C@H]1C[C@@](CC(=O)NCCCN(C)C)(Cc2ccccc2)CCO1 9486021 KYHWDEMTSLKBIC-IRLDBZIGSA-N 360.542 3.509 0 40 FHAB O=C(NC[C@@H]1CCCO1)c1ccc(CN2CCCc3ccccc32)cc1 20455078 YWWMTORLNQCLCZ-FQEVSTJZSA-N 350.462 3.548 0 40 FHAB CC[C@H]1CN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CCS1 72303599 MBIVRPPXZYUALT-SFHVURJKSA-N 354.475 3.907 0 40 FHAB CC(C)[C@H](N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 78710470 BELOGTHDXCETKJ-UZLBHIALSA-N 360.523 3.985 0 40 FHAB CCN(CC)[C@@H]1CCN(C(=O)Nc2c(SC)cnn2-c2ccccc2)C1 79100930 CQXSNACVCSVBIG-MRXNPFEDSA-N 373.526 3.542 0 40 FHAB O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccc(Cn2cccn2)o1 27981311 YPZFVRHFDFDYAA-UHFFFAOYSA-N 353.275 3.935 0 40 FHAB Cc1ccc(-c2ccc3c([C@@H]4CN(Cc5ccoc5)CCO4)nnn3c2)cc1 306129518 IFSCZSQNMMLYKD-NRFANRHFSA-N 374.444 3.871 0 40 FHAB COC(=O)c1cc(-c2ccccc2O)nc2cc(-c3ccc(F)cc3)nn12 36615684 ZRXLXXWHWJGYTD-UHFFFAOYSA-N 363.348 3.695 0 40 FHAB COCCN1C(=O)S/C(=C/c2ccc(-c3ccc(F)cc3F)o2)C1=O 408600246 ARNJVARQSNUVBA-OQLLNIDSSA-N 365.357 3.908 0 40 FHAB Cc1nn(-c2ccc(O)nn2)c2c1[C@@H](c1ccc(C(C)C)cc1)CC(O)=N2 31817633 IUKNRSAYHGFSTL-OAHLLOKOSA-N 363.421 3.923 0 40 FHAB O=C(NCc1cc(F)cc2c1OCOC2)[C@@H]1CC[C@H]1c1ccc(F)cc1 528361793 AVWWVZVFBOBWPI-ZWKOTPCHSA-N 359.372 3.641 0 40 FHAB O=C(COc1cccc(NC(=O)C2CC2)c1)N[C@@H](c1ccccc1)C1CC1 36394963 BONWFDOPTHXCFR-NRFANRHFSA-N 364.445 3.681 0 40 FHAB N=c1[nH]oc2cc(CNC(=O)C3(c4cc(F)cc(F)c4)CCCC3)ccc12 529503796 XAYOUXRXCLPOOZ-UHFFFAOYSA-N 371.387 3.647 0 40 FHAB COc1cc(OC)cc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccco2)c1 72405216 SXEUDYHFGVRIQF-INIZCTEOSA-N 353.378 3.665 0 40 FHAB CCc1ccc([C@H](NC(=O)c2cccc(CS(C)(=O)=O)c2)C(C)C)cc1 36784032 JURBOGQTJFDIGN-HXUWFJFHSA-N 373.518 3.921 0 40 FHAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)N(C)c2cc(F)ccc2F)CC1=O 76735086 HXDXPEZZVYWJMC-ZFWWWQNUSA-N 358.388 3.537 0 40 FHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1F 30324386 ZHQUUQPTRCJNFL-ZDUSSCGKSA-N 363.454 3.753 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)COc1ccc(C)cc1 219358105 GEVFOYIZZJIABH-OXJNMPFZSA-N 357.450 3.745 0 40 FHAB Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)n(C)n1 36613734 RHNCKZCUDFDRPU-UHFFFAOYSA-N 365.368 3.632 0 40 FHAB Cc1c(C(=O)NCC2(N3CCOCC3)CCCCC2)oc2c(F)cccc12 39996844 NPXCRGYDNOWQGI-UHFFFAOYSA-N 374.456 3.645 0 40 FHAB COC(=O)c1cc(NC(=O)C2(c3ccccc3)CCOCC2)ccc1Cl 33002690 ORTRNKWMWGHSBY-UHFFFAOYSA-N 373.836 3.814 0 40 FHAB O=C(NCc1ccccn1)c1cc(Br)ccc1-n1cccc1 31818405 CNJFWDRCRDMAOL-UHFFFAOYSA-N 356.223 3.565 0 40 FHAB CNC(=O)N1N=C2C(=C3[C@H]4CC[C@@H]5CC[C@@H]([C@H]45)[C@@H]31)[C@@H]1CC[C@H]3CC[C@H]2[C@H]31 71785661 ZZNHOUMKUHZVEA-KIUWVDFKSA-N 351.494 3.795 0 40 FHAB COC(=O)c1ccc(C(=O)N(Cc2ccsc2)Cc2ccccn2)cc1 44445994 DZHNWHUDBSRNBE-UHFFFAOYSA-N 366.442 3.772 0 40 FHAB CCc1ccc(-n2c(C)nc3nc(N4CCCC4)nc(O)c3c2=S)cc1 40386953 ZDKGSPDKBADUMG-UHFFFAOYSA-N 367.478 3.722 0 40 FHAB COc1ccccc1CCCNC(=O)c1ccc(CN2CCCC2)cc1 44906697 AHIMEWVLGOXXSO-UHFFFAOYSA-N 352.478 3.654 0 40 FHAB CCCOc1ccccc1CCCNC(=S)Nc1ncccc1OC 225626770 IFUUQTASTRUNHI-UHFFFAOYSA-N 359.495 3.798 0 40 FHAB Cc1cc(C(=O)N2CCN=C(O)C[C@H]2c2ccccc2)nn1[C@@H](C)C1CC1 329518350 ZIOIQMAGMRMOOR-KXBFYZLASA-N 366.465 3.706 0 40 FHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 225719562 XDAAUNMZKLLASA-OAQYLSRUSA-N 366.505 3.870 0 40 FHAB Brc1ccc(-c2nnc3sc(-c4ccncc4)nn23)s1 49549037 QYZMQJRQNMSNKA-UHFFFAOYSA-N 364.253 3.739 0 40 FHAB Cc1cc(C)cc(OCCNC(=O)CN2C(=O)c3cccc4cccc2c34)c1 224069294 VJBLQVXBMBWWCW-UHFFFAOYSA-N 374.440 3.612 0 40 FHAB COc1ccc([C@H]2CCN(S(=O)(=O)/C=C/c3ccc(C)cc3)C2)cc1 75166762 LJQLYACYOHMYMP-XUDAUXSOSA-N 357.475 3.794 0 40 FHAB COCCn1c(C)cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222610957 JODIEFLECAOFNF-ZOCIIQOWSA-N 370.522 3.736 0 40 FHAB COc1ccccc1O[C@@H](Cc1ccc(Br)cc1)C(=O)O 225066143 LZXITUVRKCKAHR-HNNXBMFYSA-N 351.196 3.532 0 40 FHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(C(=O)N(C)C)cc1 222689237 AMPHUPULKOMAID-HNNXBMFYSA-N 366.461 3.673 0 40 FHAB COc1cccc(-c2ccc3c([C@@H]4CCCN4c4ncccn4)nnn3c2)c1 96267920 IISVCPAJMLBDRM-SFHVURJKSA-N 372.432 3.536 0 40 FHAB CSc1ccc([C@H](O)CNC(=O)c2cc(Br)cs2)cc1 96103170 OGJTXHIBCKPMBE-GFCCVEGCSA-N 372.309 3.696 0 40 FHAB COC(C)(C)C(=O)N1CCC(c2cc(Nc3ccccn3)cc(C)n2)CC1 257253603 JZOBUOCDJJVRRD-UHFFFAOYSA-N 368.481 3.660 0 40 FHAB Cc1cc(NS(=O)(=O)c2ccsc2)cnc1N1CCCC[C@@H]1C 585081680 GOKDKSCDIKSHLP-ZDUSSCGKSA-N 351.497 3.631 0 40 FHAB CO[C@@H](C)CN(C)C(=O)c1cc(C2CC2)nc2c1cnn2C1CCCCC1 585082731 SBUSXVSPEOWFTC-AWEZNQCLSA-N 370.497 3.921 0 40 FHAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCCN2Cc2c[nH]cn2)n1 257254168 KBZGBVUHAWBFOL-INIZCTEOSA-N 369.498 3.744 0 40 FHAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)C3CC3)CC2)n1 257330478 XOPHXKCUQWYKAB-WKILWMFISA-N 350.466 3.647 0 40 FHAB CCOC(=O)c1cc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)ccc1Cl 260659284 VCODTTBSGKYZEP-ZIBATOQPSA-N 352.887 3.992 0 40 FHAB O=C(NCc1cnn(CC(F)(F)F)c1)N[C@@H](C1CCCC1)C1CCC1 645279059 PKTQORZECTWIAP-HNNXBMFYSA-N 358.408 3.604 0 40 FHAB O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)c1cccc(O)n1 655253991 VXGKEQGMWFADMT-UHFFFAOYSA-N 366.339 3.538 0 40 FHAB CCSCc1cc(C(=O)N[C@H]2CCc3ccccc3-n3ccnc32)no1 598571305 IAYYVZJAXLDVKK-HNNXBMFYSA-N 368.462 3.531 0 40 FHAB Cc1cc(Nc2ncc(CC(F)(F)F)s2)nc(C2CCNCC2)n1 585262940 FNPPOVOLXJXWPG-UHFFFAOYSA-N 357.405 3.557 0 40 FHAB CC[C@H](C(=O)Nc1ccc(Cl)cc1)n1ncc(-c2ccccc2)nc1=O 44803989 YRDZESJKMUKPCT-QGZVFWFLSA-N 368.824 3.549 0 40 FHAB COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3C=CN2C)cc1OC 5707253 JTPHLUJGSNTOFP-KRWDZBQOSA-N 355.434 3.921 0 40 FHAB biogenic CCCCC[C@](C)(O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O 5820937 XSGQFHNPNWBVPT-PLTXGMECSA-N 366.498 3.641 0 40 FHAB Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3C)CC2)c(C)c1 12042855 NYXSHIDIUGSYRA-UHFFFAOYSA-N 372.534 3.740 0 40 FHAB O=C(NCc1ccccc1F)c1ccc(-n2ccnc2)c(-n2cccc2)c1 12088116 DYNOQNWHNYIDIW-UHFFFAOYSA-N 360.392 3.732 0 40 FHAB COc1cc2c(cc1OC)[C@H](C)N([C@H]1CCCN(C(=O)CC(C)C)C1)CC2 12232924 BXLVLBPVMABBGJ-WMZOPIPTSA-N 374.525 3.660 0 40 FHAB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=S)N[C@H]1c1ccsc1 12554008 MQSUSMGTSGWMOE-INIZCTEOSA-N 374.487 3.640 0 40 FHAB COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)CCc2ccccc2)cc1 16136726 SXZNDLZRGYRLDS-FQEVSTJZSA-N 369.461 3.827 0 40 FHAB OC1(Cn2ccc3ncccc32)C[C@@H]2CC[C@H](C1)N2Cc1cccs1 19346437 HFPHZDRLPLWEEP-NYTJIUQPSA-N 353.491 3.656 0 40 FHAB CCC(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2cccc(Cl)c2)C1 19694574 GOWVHBZATRUPJF-HNNXBMFYSA-N 372.900 3.979 0 40 FHAB O=C(Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1)NC1CC1 13715819 RZBANWRSZOPCRO-UHFFFAOYSA-N 352.478 3.663 0 40 FHAB COc1ccc([C@@H](CNc2nc3ccccc3s2)N2CCOCC2)cc1 25370314 XCDNXTSXBCSXJH-GOSISDBHSA-N 369.490 3.790 0 40 FHAB FC(F)(F)c1nc(NCc2nc(-c3cccnc3)no2)c2ccccc2n1 32814798 LUMKNASXUBGRFS-UHFFFAOYSA-N 372.310 3.706 0 40 FHAB COc1ccc([C@]2(O)CN(c3cc(C)ccc3C)C3=[N+]2CCCC3)cc1 2966277 GCFHHIRLATYUIF-JOCHJYFZSA-N 351.470 3.572 0 40 FHAB CCc1cccc2sc(NC(=O)c3cccc(S(=O)(=O)CC)c3)nc12 5241459 CEQBVXFXDOIONG-UHFFFAOYSA-N 374.487 3.905 0 40 FHAB Cc1cccc(NC(=O)C[C@@H]2SC(=O)N(Cc3ccccc3)C2=O)c1 10386441 BTDLHSJZCRWKQE-INIZCTEOSA-N 354.431 3.588 0 40 FHAB O=S(=O)(c1cccc2ccccc12)N1CCOc2ccc(F)cc2C1 575617099 YIRNQXCMLJDQLX-UHFFFAOYSA-N 357.406 3.562 0 40 FHAB Cc1cccc(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)n1 20530964 UHFFMVVIQANFQL-HXUWFJFHSA-N 357.413 3.726 0 40 FHAB C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)CSc1ccccc1Cl 40069798 ZMCYQNGRCAMYKP-GXTWGEPZSA-N 374.893 3.826 0 40 FHAB CCN(Cc1cccc(NC(=O)c2ccc(C)nc2)c1)C(=O)C(F)(F)F 36759770 QJEYNHJQHCAVGA-UHFFFAOYSA-N 365.355 3.553 0 40 FHAB CC1(C)CC(NC(=O)COc2cc(Cl)ccc2Cl)CC(C)(C)N1 11423871 COUNKPJSUUQGBM-UHFFFAOYSA-N 359.297 3.798 0 40 FHAB CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NCc1ccccn1 11565890 DJRNHIGWYMOJKQ-UHFFFAOYSA-N 362.495 3.781 0 40 FHAB Cn1c([C@@](O)(c2ccccc2)[C@H](O)c2cccs2)nc2ccccc21 860932 WUPIIIBPMPXSOP-UYAOXDASSA-N 350.443 3.604 0 40 FHAB O=C(CSc1nnc(-c2cccc(F)c2)o1)N1CCc2ccccc21 928211 OMNDHTZIUQXWND-UHFFFAOYSA-N 355.394 3.557 0 40 FHAB CCNC(=S)N(Cc1ccco1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 1224568 DQOIMUONICTQAM-UHFFFAOYSA-N 369.490 3.635 0 40 FHAB CCOc1ccccc1NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 1379546 ZPGNJKMGOXFMMH-QGZVFWFLSA-N 353.422 3.720 0 40 FHAB COc1ccc(CCNC(=O)Cn2ccc3cc(Cl)ccc32)cc1OC 32106149 UXNDYPADJSROSL-UHFFFAOYSA-N 372.852 3.671 0 40 FHAB O=c1cc(CO)oc([C@@H](Nc2cccc(Cl)c2)c2ccccc2)c1O 1587772 DFLHKQWEXZZUEI-KRWDZBQOSA-N 357.793 3.693 0 40 FHAB COc1ccc2cc(C(=O)NCc3ccc(CN4CCCC4)cc3)[nH]c2c1 32759932 NKZHSXQPTWOUDD-UHFFFAOYSA-N 363.461 3.702 0 40 FHAB Cc1ccc(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1C 32769717 ZTOXBCQNNXTMAK-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB CCc1ccc(Nc2nnc(SCC(=O)N(CC)CC)s2)cc1 4895312 OJKJKYHBQBZVDI-UHFFFAOYSA-N 350.513 3.805 0 40 FHAB C[C@H]1CCc2c(sc3nc(Cc4nc5ccccc5n4C)[nH]c(=O)c23)C1 6550581 OLSUWNVDSMECSD-NSHDSACASA-N 364.474 3.587 0 40 FHAB COc1ccc(NC(=S)NCCSc2ccc(Cl)cc2)cn1 7368162 DKPOBPNYHNZYIW-UHFFFAOYSA-N 353.900 3.822 0 40 FHAB Cn1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)n1 52528210 JRORGGDAAPYWPG-UHFFFAOYSA-N 357.417 3.584 0 40 FHAB CCOC(=O)c1cccc(NC(=O)COc2cccc(C(F)(F)F)c2)c1 8097612 RFEBIVOMAFCNFF-UHFFFAOYSA-N 367.323 3.900 0 40 FHAB Cc1ccc(C(=O)Nc2ccc(I)c(C)n2)cc1C 679705 ZGFJTBRTEHQPOT-UHFFFAOYSA-N 366.202 3.864 0 40 FHAB CCOc1cc(/C=C/C(=O)Nc2cccc(C(=O)OC)c2C)ccc1OC 52410745 GQLMQNJYIVNGJN-ZRDIBKRKSA-N 369.417 3.841 0 40 FHAB C[C@@H](C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 42219071 RRPMNHKKQITNRH-IVKJLDKCSA-N 361.507 3.526 0 40 FHAB O=C(OCCN1CCCCCC1=O)c1cccc2c3c([nH]c12)CCCC3 61081454 CCJLEYQUWOGCHN-UHFFFAOYSA-N 354.450 3.606 0 40 FHAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2C(=O)Nc1ccccc1Cl)C1CC1 100426611 MOYZLDASJCJQKP-GJZGRUSLSA-N 361.873 3.784 0 40 FHAB O=C(Cc1csc(N2CCCC2=O)n1)OCC12CC3CC(CC(C3)C1)C2 61194188 GPTYFILWBMDKAK-UHFFFAOYSA-N 374.506 3.572 0 40 FHAB CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(NC2CC2)s1 8395790 GBNMXTHBFDNRPJ-UHFFFAOYSA-N 374.944 3.578 0 40 FHAB COc1ccc([C@@H]2C[C@@H](c3ccc(C)cc3)Nc3ncnn32)cc1OC 2914185 FCVSYOCNNLEPOC-IRXDYDNUSA-N 350.422 3.750 0 40 FHAB CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccccc4F)ccc1c23 1448655 DTKLWBVFIRJUNH-UHFFFAOYSA-N 370.405 3.760 0 40 FHAB CCC(CC)[C@H](NC(=O)[C@@H](C)Sc1nncn1C)c1cccs1 56008511 NNUNUMZCWPQVLL-RISCZKNCSA-N 352.529 3.651 0 40 FHAB CCOCc1c(C(=O)OCc2nnsc2Cl)oc2ccccc12 25716046 OCWMYEMHBPFUCA-UHFFFAOYSA-N 352.799 3.831 0 40 FHAB CCOCCCC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 56979093 VUGNAOCOZUTHIK-UHFFFAOYSA-N 350.802 3.941 0 40 FHAB Cc1c(NC(=O)N2CCCC2)cccc1C(=O)N1CCc2sccc2C1 44036987 RGHXIZQIRDNVIB-UHFFFAOYSA-N 369.490 3.883 0 40 FHAB Cc1noc(C)c1CSCC(=O)Nc1ccc2c(C)cc(=O)oc2c1 57329166 KLAKMIFAXITBDD-UHFFFAOYSA-N 358.419 3.578 0 40 FHAB Cc1ccc(-c2ccsc2C(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1 57818758 KRHRWVZJKPJWND-GOSISDBHSA-N 370.518 3.660 0 40 FHAB Cc1cccc(NC(=O)C2CCN(c3cccc(C(F)(F)F)n3)CC2)n1 58184457 OKISOKMCYYCNOF-UHFFFAOYSA-N 364.371 3.659 0 40 FHAB COCCN1C(=O)c2ccccc2N[C@@H]1c1cccc(C(F)(F)F)c1 12522597 FSLPWZJWELYGJD-INIZCTEOSA-N 350.340 3.918 0 40 FHAB CCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)CC(C)(C)c1ccccc1 58325419 INGRUUWBEDBJIN-RDJZCZTQSA-N 364.555 3.507 0 40 FHAB COCCCNc1ncnc2c1oc1nc(CC(C)C)c3c(c12)CCC3 2241304 LSRXQIBJNZJKRF-UHFFFAOYSA-N 354.454 3.907 0 40 FHAB CCOc1ccc(-c2nsc(NC(=O)COc3ccccc3)n2)cc1 28286733 YSVLCJZMTOAPRC-UHFFFAOYSA-N 355.419 3.621 0 40 FHAB COc1ccc(OC)c(NC(=O)COC(=O)c2oc3ccccc3c2C)c1 3296236 QFQYOGVTWPJQOT-UHFFFAOYSA-N 369.373 3.554 0 40 FHAB CC(C)C[C@@H](NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)c1ccccc1 2360763 PDYMKULBIKQYGY-HNAYVOBHSA-N 364.445 3.575 0 40 FHAB CC(C)c1ccc(OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 10905046 JEFIOOJNERGEFI-UHFFFAOYSA-N 352.434 3.720 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCSc3c(F)cccc32)c1 12763095 RHPQSLGRWCCXIU-OAHLLOKOSA-N 351.468 3.958 0 40 FHAB O=C(Nc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1)[C@@H]1CCCO1 28221603 SXFNTGHYDAWTCT-INIZCTEOSA-N 353.353 3.660 0 40 FHAB CCOc1ccc(NC(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)cc1 3402614 UCLPIKQCMNLPKG-GOSISDBHSA-N 358.413 3.618 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 3563824 YXTCWBUFZDKPCK-UHFFFAOYSA-N 368.433 3.582 0 40 FHAB O=C(Cc1ccc(Cl)c(Cl)c1)NCc1ccc2c(c1)OCCO2 12995642 WLPIXIUQPRSFIA-UHFFFAOYSA-N 352.217 3.624 0 40 FHAB C[C@@H](C(=O)Nc1ccccc1)[S@](=O)Cc1cccc(C(F)(F)F)c1 69812388 QFOJCTQDRLIUAY-MCFWBGNESA-N 355.381 3.981 0 40 FHAB Cc1ccc(S(=O)(=O)CC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 5188752 KBSMNYYCVBUXGJ-UHFFFAOYSA-N 358.246 3.714 0 40 FHAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)O)C2=O)cc1Cl 409019391 IUNWFUDOMRZIQF-VAENJDROSA-N 369.826 3.638 0 40 FHAB COc1ccc2c(C)c(CC(=O)NC3CCCCCC3)c(=O)oc2c1OC 5347923 JPYVZOCXQKOKIS-UHFFFAOYSA-N 373.449 3.500 0 40 FHAB C[C@H](c1ccccc1)N(C)C(=O)Cc1csc(NC(=O)c2ccco2)n1 8775914 OCEDWPOXYQYBSC-CYBMUJFWSA-N 369.446 3.751 0 40 FHAB C[C@H]1CCCC[C@@H]1n1c(-c2cccnc2)nn(CN2CCOCC2)c1=S 14135739 GMZODQTWYRYFLA-RDJZCZTQSA-N 373.526 3.517 0 40 FHAB N=C1NC(=O)[C@@H](CC(=O)Nc2ccc(-c3ccc(Cl)cc3)cc2)S1 4575061 JLFSSVSGRHMXHI-CQSZACIVSA-N 359.838 3.502 0 40 FHAB Cc1ccc(CN2C(=O)N/C(=C/c3cccn3-c3ccccc3)C2=O)cc1 4675766 FRSGUFQCNBSVDH-XSFVSMFZSA-N 357.413 3.879 0 40 FHAB O=C(O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)c(C(=O)O)c1 4667016 WSFQPBPCRWZNRK-UHFFFAOYSA-N 354.145 3.642 0 40 FHAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)COc1ccc2ccccc2c1 408714362 PDONHXFPUYZHDL-UHFFFAOYSA-N 373.412 3.927 0 40 FHAB NC(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)-c1ccccc1C2)c1ccccc1 14523208 IHLJKSUEGDVIMB-NRFANRHFSA-N 371.440 3.996 0 40 FHAB O=C(O)c1cccc2cccc(C(=O)Nc3nnc(-c4ccccc4)o3)c12 20495938 PXADWDZPICWCPA-UHFFFAOYSA-N 359.341 3.840 0 40 FHAB c1cc(CN2CC[C@@]3(CCCN(CC4CC4)C3)C2)n(-c2nccs2)c1 14968474 CGACKGRFLFHVLE-HXUWFJFHSA-N 356.539 3.632 0 40 FHAB CCCCOc1ccccc1/C=C/C(=O)Nc1nc(CC(=O)OC)cs1 62714964 AJULPOGZBPGKBJ-MDZDMXLPSA-N 374.462 3.689 0 40 FHAB CC(C)n1nc(C(=O)Nc2ccccc2OC(F)F)c2ccccc2c1=O 7014622 ATPSGQRUCVBQPY-UHFFFAOYSA-N 373.359 3.831 0 40 FHAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1cccc(Br)c1 8982840 UJNQHSGLIHUGQL-UHFFFAOYSA-N 373.250 3.937 0 40 FHAB CCCc1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)cc1 7726640 YFWSRZCCCAVKBJ-UHFFFAOYSA-N 358.463 3.567 0 40 FHAB COc1cc(C(=O)N(C)CCOc2ccc(F)cc2)cc(Cl)c1OC 16173647 BVZDVNLJLPKAAI-UHFFFAOYSA-N 367.804 3.647 0 40 FHAB CC(=O)Nc1nc(COC(=O)CCCc2c[nH]c3ccccc23)cs1 24660070 LCPJMQSGXYQCSV-UHFFFAOYSA-N 357.435 3.649 0 40 FHAB CCC(=O)c1ccc(OCC(=O)N(CC(F)(F)F)[C@@H](C)C2CC2)cc1 7984618 YLZDIOKCOJOZCE-LBPRGKRZSA-N 357.372 3.848 0 40 FHAB O=c1c2cc(Cl)ccc2ncn1Cc1nc(-c2cccc(Cl)c2)no1 16671392 CLVWABVJAKGZTK-UHFFFAOYSA-N 373.199 3.802 0 40 FHAB COC(=O)c1cc(/C=C2/N=C(C34CC5CC(CC(C5)C3)C4)OC2=O)oc1C 96794916 BVGGKWZFGUFXBD-REZTVBANSA-N 369.417 3.887 0 40 FHAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCO[C@@H](C)C2)cc1 9853949 AAXVSEVUCSNCFB-KRWDZBQOSA-N 361.445 3.709 0 40 FHAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc(Cl)c(Cl)[nH]1 97037071 UYZQLGBPACKWQD-HNNXBMFYSA-N 352.265 3.888 0 40 FHAB CC(C)CN1Cc2cccc(NS(=O)(=O)c3cc(F)cc(F)c3)c2C1 95455181 ZDGCZOCMEZJOOK-UHFFFAOYSA-N 366.433 3.737 0 40 FHAB Cn1cccc1[C@@H]1CCCN1C(=O)NCc1cccnc1OC1CCCC1 79190527 YXCXKJQBBJOZAU-IBGZPJMESA-N 368.481 3.788 0 40 FHAB Cc1ccc(C2=N/C(=C/c3cc(Br)ccc3O)C(=O)O2)cc1 408841610 FNZMVWQSCFLASV-NTEUORMPSA-N 358.191 3.808 0 40 FHAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1ccccc1Br 408714720 WJFYLIYEQKEPSM-UHFFFAOYSA-N 372.222 3.771 0 40 FHAB CCCNC(=O)COc1ccccc1-c1nc(-c2cccc(C)c2)no1 64579586 PZZHNVZHSGZRCI-UHFFFAOYSA-N 351.406 3.617 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)C(C)C)c2)cc1 30013029 UUSSDDLEAPNNIX-OAHLLOKOSA-N 360.479 3.570 0 40 FHAB CC(C)(C)N1CCC(NC(=O)c2ccc(Oc3ccccc3)nc2)CC1 512691526 SENPLVKZBRKPTQ-UHFFFAOYSA-N 353.466 3.867 0 40 FHAB O=C(CSc1nc(-c2ccc(F)cc2)no1)c1ccc2c(c1)OCCO2 35682868 KEOWZMXFOTZUBI-UHFFFAOYSA-N 372.377 3.622 0 40 FHAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCC(n2cnc3cccnc32)CC1 72366009 WSADDGYEPVJZON-UHFFFAOYSA-N 363.396 3.529 0 40 FHAB CC(C)OCCCNc1nc2ccccc2c(=O)n1Cc1ccccc1 71281085 ZZZHHSAXNSYBJU-UHFFFAOYSA-N 351.450 3.672 0 40 FHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 40140919 PMMOVELMTPEXFA-KBPBESRZSA-N 356.388 3.727 0 40 FHAB O=C1NCCN(Cc2ccc(OC(F)F)c(Cl)c2)c2ccccc21 565807395 RYAOSOWIXZKPHK-UHFFFAOYSA-N 352.768 3.691 0 40 FHAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 223239064 BFKJWHRZRDGODH-KRWDZBQOSA-N 370.468 3.702 0 40 FHAB COC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1SC 223438160 DFRJWBHFSXGCRJ-UHFFFAOYSA-N 371.867 3.649 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 223239714 YRKXBKWMMJKPCN-FQEVSTJZSA-N 370.468 3.538 0 40 FHAB Cc1nc(NC(=S)NCc2ccco2)c(Cl)cc1Br 223900606 SOWFVENQYVUXPL-UHFFFAOYSA-N 360.664 3.886 0 40 FHAB O=C(CN1CCCCC1=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 97219548 QLVMDWORDCITGJ-JOCHJYFZSA-N 362.429 3.651 0 40 FHAB CC(C)(C)[C@H]1CCc2sc(C(=O)NCc3nc(CO)cs3)cc2C1 331795719 KUMSXVZWWLIGAW-LBPRGKRZSA-N 364.536 3.778 0 40 FHAB CSc1ccc(C(=O)N[C@H]2c3ccccc3[C@@H]3CN(C(C)=O)C[C@@H]32)s1 96156999 BREAXASMLXJWLN-MPGHIAIKSA-N 372.515 3.517 0 40 FHAB CCC[C@]1(CO)CCN(C(=O)c2c(C)n(C3CC3)c3ccc(OC)cc23)C1 585085075 CCNLLZOBPOWPTE-QFIPXVFZSA-N 370.493 3.918 0 40 FHAB Cc1ccc(Nc2nc([C@@H]3CCCN3Cc3cn(C)cn3)cs2)nc1 257338496 YXRLTBPVQMUSGU-INIZCTEOSA-N 354.483 3.661 0 40 FHAB CNc1ncccc1CN1CCC[C@H]1c1cncc(-c2c(C)noc2C)n1 257325474 WTBBOIQXWMWDIV-SFHVURJKSA-N 364.453 3.522 0 40 FHAB O=C(c1cnc2ccccc2c1)N1CCCC[C@@H]1c1ccn2ccnc2n1 257251804 JSIBBMVQCSCXFY-LJQANCHMSA-N 357.417 3.645 0 40 FHAB Cc1csc(CN2CCOc3c(O)cc(-c4cccnc4)cc3C2)n1 67872448 ZYXZGESWXRMNHH-UHFFFAOYSA-N 353.447 3.614 0 40 FHAB O=C(O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1ccc(OC(F)F)cc1 621587520 DPGQNTCKJCKJGD-HOTGVXAUSA-N 361.344 3.719 0 40 FHAB Cc1ccc(OC2CCCC2)c(-c2cc3c(c(S(N)(=O)=O)c2)OCC3)c1 649436294 ZTMCGKNUZRKKHV-UHFFFAOYSA-N 373.474 3.566 0 40 FHAB Cc1cccc(C)c1[C@H]1CCCN1C(=O)NCc1cccnc1N(C)C 660341428 WXUXOCDSAGAYAI-GOSISDBHSA-N 352.482 3.811 0 40 FHAB Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@@]2(CCN2C[C@H]2CCCO2)C1 585102217 ULWIPTDSVMSXMI-VGOFRKELSA-N 374.525 3.745 0 40 FHAB CCn1cc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2ccc(F)cc2)cn1 1615160552 RWWHUJRFKCGWKP-BEFAXECRSA-N 370.472 3.562 0 40 FHAB CCCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1C 11565947 PYEVWZHTBYTQQI-UHFFFAOYSA-N 363.435 3.673 0 40 FHAB COc1ccc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2ccccc2F)C3)cc1 12361579 ULLFTEMKNGHRGW-QIDMFYOTSA-N 355.453 3.954 0 40 FHAB Cc1nc(-c2ccc(CCNC(=O)c3ccc4[nH]cnc4c3)cc2)cs1 12621032 GIZSUIWMFZFQNE-UHFFFAOYSA-N 362.458 3.967 0 40 FHAB c1ccc(-c2cnc(N3CCN4CCC[C@H]4C3)nc2-c2cccs2)nc1 13268024 PBHKONYQZRFLEG-HNNXBMFYSA-N 363.490 3.552 0 40 FHAB CCOc1ccc([C@H](C)NC(=O)c2cc(OC)cc(OC)c2)cc1OCC 13674919 XMOYGUOSPQEDIP-AWEZNQCLSA-N 373.449 3.992 0 40 FHAB Cc1ccc(C)c(OCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1 13684420 CXOYMMFRRJNUSW-UHFFFAOYSA-N 354.450 3.849 0 40 FHAB CCc1cccc(CC)c1NC(=O)c1ccc(N(C)S(=O)(=O)CC)cc1 14397296 ONUOOVCGTLDRLC-UHFFFAOYSA-N 374.506 3.850 0 40 FHAB CCN(CC)C(=O)c1ccc(NC(=S)Nc2cccc(OC)c2)cc1 16381071 BHBYVPRJZMVYPM-UHFFFAOYSA-N 357.479 3.986 0 40 FHAB COc1ccc(OC)c(NC(=S)NCCc2c[nH]c3ccc(F)cc23)c1 17076452 SZSYUXJFQABPLB-UHFFFAOYSA-N 373.453 3.853 0 40 FHAB C[C@@H]1CCc2c(sc3ncnc(NCCc4nnc5ccccn45)c23)C1 18062229 QYNJRXLVNKUCAF-GFCCVEGCSA-N 364.478 3.513 0 40 FHAB Cc1cccc(CC(=O)N2CCC[C@@H]2c2nnc(-c3scnc3C)o2)c1 19234723 UVSJSNYZFVLRBM-OAHLLOKOSA-N 368.462 3.716 0 40 FHAB Cc1ccc(-n2cnc(C(=O)Nc3ccc(Br)cc3C)n2)cc1 19910742 MKSJSVFPCPHUOX-UHFFFAOYSA-N 371.238 3.899 0 40 FHAB CC(=O)c1cccc(NC(=O)CSc2nc(-c3cccc(C)c3)n[nH]2)c1 19927479 BGZAAWBJJFJSAD-UHFFFAOYSA-N 366.446 3.714 0 40 FHAB C=CCn1cc(/C=C(\Sc2nnc(CC)[nH]2)C(=O)O)c2ccccc21 7342484 XVICSWBKURUWQK-GDNBJRDFSA-N 354.435 3.726 0 40 FHAB COc1ccc(CN2CCC[C@H](c3nc(-c4ccncc4)no3)C2)cc1F 1888890331 FXFPERSMVODPGY-INIZCTEOSA-N 368.412 3.659 0 40 FHAB Cc1cccc(CN2CC[C@@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@@H]32)n1 1889114177 QSHDJNBAFIZHMY-PBHICJAKSA-N 362.399 3.515 0 40 FHAB CC1(C)[C@@H]2CC[C@@]1(C)c1nnc(SCC(=O)Nc3ccccc3)nc12 1432799 GBBNQFROPRFRRA-YJYMSZOUSA-N 354.479 3.777 0 40 FHAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc2c(c1)OCO2 4088013 DMCWDOKCDJGXIS-UHFFFAOYSA-N 371.443 3.811 0 40 FHAB O=C(NCc1nnc(SC/C=C/c2ccccc2)o1)c1ccc(F)cc1 4354264 RRQWLUDQRYJBRY-QPJJXVBHSA-N 369.421 3.944 0 40 FHAB CCCCN(CC)C(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O 5304188 BPWAIJSVEZZSAO-UHFFFAOYSA-N 363.461 3.707 0 40 FHAB Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccccc2F)o1 9573810 CGCCDLFHHNMRQL-UHFFFAOYSA-N 350.353 3.778 0 40 FHAB CO[C@H]1CCCN(c2ccc(NC(=O)c3ccc4nsnc4c3)cc2)C1 585302475 CUCULFFNNYFYLW-INIZCTEOSA-N 368.462 3.559 0 40 FHAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1c(F)cccc1Cl)C1CC1 40051913 SGNKVMHGNMCNKZ-NSHDSACASA-N 370.852 3.883 0 40 FHAB O=C(c1cncc(Br)c1)N1CCCc2c(F)cc(F)cc21 40090385 WZIRVIUPNFYSSU-UHFFFAOYSA-N 353.166 3.715 0 40 FHAB O=C(c1cccc2cn[nH]c12)N(Cc1cccc(F)c1)C[C@H]1CCCO1 50661466 DQHPAYCPQKDJJF-QGZVFWFLSA-N 353.397 3.523 0 40 FHAB CSc1ccc(CNC(=O)c2nnn(-c3cccc(Cl)c3)c2C)cc1 51317643 CXEZZBSFGAEWOF-UHFFFAOYSA-N 372.881 3.881 0 40 FHAB O=C(NCCCC1CCCCC1)NC1CCN(Cc2ccccn2)CC1 45754398 JYZKMXVZARWXAI-UHFFFAOYSA-N 358.530 3.706 0 40 FHAB O=C(C1CCCCC1)N1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 69397744 UKJAGJIBWMTCEI-UHFFFAOYSA-N 374.912 3.623 0 40 FHAB Fc1ccc(-n2ncc(-c3nnnn3-c3ccccc3)c2C(F)(F)F)cc1 1037157 FGNBLTLNINZPEI-UHFFFAOYSA-N 374.301 3.673 0 40 FHAB CCCCC(=O)c1nc(N(CC2CCCCC2)C(=O)NC)sc1N 1593544 UGSUGNHETDCDBQ-UHFFFAOYSA-N 352.504 3.824 0 40 FHAB CCc1c(COC(=O)NC)c(COC(=O)NC)cc2c1[nH]c1ccccc12 1609103 JMBCJGJPIZNFKV-UHFFFAOYSA-N 369.421 3.596 0 40 FHAB CCOc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)o1 1634433 GMJYUFGUSOAYCH-UHFFFAOYSA-N 369.446 3.790 0 40 FHAB COc1cc2c(cc1OC)-c1cc3cc(OC)c(OC)cc3c(C)[n+]1CC2 1727150 KNNVLECBHFVMII-UHFFFAOYSA-N 366.437 3.693 0 40 FHAB NC(=O)c1ccccc1NC(=O)CCCOc1ccc(Cl)cc1Cl 2131879 KBNLLKDKPVQAPP-UHFFFAOYSA-N 367.232 3.890 0 40 FHAB Cc1ccsc1C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 21207741 BJUXREPEALQHHM-OAHLLOKOSA-N 359.451 3.609 0 40 FHAB C[C@@H](Sc1nnc(C2CC2)n1C)C(=O)Nc1cccc(C(F)(F)F)c1 7235593 HPUNDMBGXBWRPG-SECBINFHSA-N 370.400 3.831 0 40 FHAB O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1n[nH]c2ccccc12 55761736 HBIIPFIOBHAZKE-UHFFFAOYSA-N 369.852 3.695 0 40 FHAB COc1ccc([C@@H](NC(=O)Cc2ccc(Cl)cc2)c2nccn2C)cc1 8216484 OGHLHWPIXOGIOV-LJQANCHMSA-N 369.852 3.530 0 40 FHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1c(F)cccc1Cl 8349364 UZYSUAYKKUXXRE-CYBMUJFWSA-N 372.831 3.822 0 40 FHAB CN(C)Cc1ccccc1NC(=O)c1cccc(OCc2cccnc2)c1 52666225 LMDOUTKDLJXXDX-UHFFFAOYSA-N 361.445 3.975 0 40 FHAB Cc1ccc(C)c(NC(=O)CN2CCN(c3cc(C)ccc3C)CC2)c1 57711310 OIWLLLWTYOTADR-UHFFFAOYSA-N 351.494 3.681 0 40 FHAB CN(c1ccccc1)c1ccccc1NCC(=O)Nc1ccc(C(N)=O)cc1 42110890 KVIUJZNYUQHXEF-UHFFFAOYSA-N 374.444 3.604 0 40 FHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC[C@H]1CCCO1 23190004 ZMPHFXQPMVZYGU-LLVKDONJSA-N 352.793 3.741 0 40 FHAB COc1ccc(C(=O)/N=c2/sc3cc(C)cc(C)c3n2C)c(OC)c1 100819111 NVJQHNKMYXIWPD-FMQUCBEESA-N 356.447 3.615 0 40 FHAB COC(=O)[C@@]1(C)[C@@H]2[C@H]3[C@@H]4[C@@H]1[C@@H]1CC[C@H]5C(=O)[C@](C)([C@@H]3[C@H]3CCC[C@H]32)[C@H]4[C@@H]51 104294849 LNDZSDRDRJRABD-CPGDLSAPSA-N 354.490 3.565 0 40 FHAB O=C(/C=C/c1cccc(Cl)c1)N1CCC[C@@H](c2nnc3ccccn23)C1 12388842 VGRJQFZXHNECBY-ZNFPLGDCSA-N 366.852 3.802 0 40 FHAB Cc1c(C(=O)N(C)Cc2ccccc2F)nnn1-c1cccc(Cl)c1 54914776 DMHXTUGJVLSFTC-UHFFFAOYSA-N 358.804 3.640 0 40 FHAB CCOc1cc(Cl)c(S(=O)(=O)N2CCCC[C@H]2C)cc1Cl 27588333 JDYSNYRXEKOAEO-SNVBAGLBSA-N 352.283 3.955 0 40 FHAB C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)COc1ccc(Oc2ccccc2)cc1 107053173 GBSOZZTXUXRUSH-DYESRHJHSA-N 368.477 3.656 0 40 FHAB Cc1nn(C)c2sc(C(=O)N[C@H](c3ccc(F)cc3)[C@@H]3CCCO3)cc12 55945711 PZIAJEFAXKZBKK-DOTOQJQBSA-N 373.453 3.732 0 40 FHAB CCNC(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 3362151 ORTZNRMADSONDJ-UHFFFAOYSA-N 374.849 3.910 0 40 FHAB COc1ccc(OCC(=O)NCc2csc(-c3ccccc3)n2)cc1 10893763 YNQUDMGEWPWQFW-UHFFFAOYSA-N 354.431 3.514 0 40 FHAB CCOCCCNc1ncc2c(n1)C[C@H](c1ccccc1Cl)CC2=O 2428824 LGEVRUWQAHPVOK-ZDUSSCGKSA-N 359.857 3.881 0 40 FHAB Cc1ccc(SCC(=O)N(C)Cc2nnc(-c3ccccc3)o2)cc1 408714369 PLWKVVUFKVDAPJ-UHFFFAOYSA-N 353.447 3.796 0 40 FHAB C[C@@H](Sc1cc(C(N)=O)c2ccccc2n1)C(=O)Nc1ccccc1F 12821060 BMLHITCEGSCGJL-LLVKDONJSA-N 369.421 3.592 0 40 FHAB COC(=O)C[C@@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1 12876638 XLAVTUKAZGEACL-MRXNPFEDSA-N 366.244 3.957 0 40 FHAB O=C(CCN1C(=O)COc2ccccc21)Nc1cc(Cl)cc(Cl)c1 12985970 MZMTYHOHHHMZRK-UHFFFAOYSA-N 365.216 3.748 0 40 FHAB CN(Cc1nc2ccccc2c(=O)[nH]1)c1ncc(C(F)(F)F)cc1Cl 12918418 JXJAZDYRWCAQCA-UHFFFAOYSA-N 368.746 3.627 0 40 FHAB COc1cccc(CN(C)C(=O)NCCc2ccc(Cl)cc2)c1OC 17112482 FRLRWLTZCAURGN-UHFFFAOYSA-N 362.857 3.741 0 40 FHAB COc1cc2c(cc1OC)CN([C@H](C)C(=O)Nc1cc(C)ccc1C)CC2 8473051 NIZHALXOUQTTRN-MRXNPFEDSA-N 368.477 3.706 0 40 FHAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc4ccccc34)ccc21 6073657 NEDIFNUCCZGQEC-UHFFFAOYSA-N 366.442 3.550 0 40 FHAB O=C(COC(=O)c1ccco1)Nc1ccc(OCc2ccccc2)cc1 5080223 DBIABRDPCJZBPV-UHFFFAOYSA-N 351.358 3.654 0 40 FHAB Cc1cccc(-c2nn3c([C@H]4COc5ccccc5O4)nnc3s2)c1 4384005 JARBIWTVYZQCHZ-OAHLLOKOSA-N 350.403 3.674 0 40 FHAB CC(=O)c1c(C)n(C)c2ccc(O)c(S(=O)(=O)c3ccc(C)cc3)c12 4357876 WGPFOYBTCAHWMY-UHFFFAOYSA-N 357.431 3.536 0 40 FHAB Cc1cc(F)ccc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 5270144 NJMFASHSXCHBOL-UHFFFAOYSA-N 365.408 3.823 0 40 FHAB C[C@@H](c1ccccc1)N(C)C(=O)CSc1ncn(-c2ccccc2)n1 14085535 JNGYMSQWRWBGDL-HNNXBMFYSA-N 352.463 3.579 0 40 FHAB O=C(Nc1ccccc1)c1ccccc1OCC(=O)N1CCCCCC1 6461087 AAQPIAPJGWTWNQ-UHFFFAOYSA-N 352.434 3.720 0 40 FHAB CCc1sc(C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)cc1C 6432389 IXQSMKPGMGTUAL-INIZCTEOSA-N 357.475 3.970 0 40 FHAB CCOC(=O)CN1C(=O)S/C(=C/c2cn(C(C)C)c3ccccc23)C1=O 4562000 SJGPSUJOIOFCAD-CXUHLZMHSA-N 372.446 3.822 0 40 FHAB CCOc1ccc(N2C[C@H](C(=O)Nc3cccc(CC)c3)CC2=O)cc1 5465067 UVAARKSQLFHPQE-MRXNPFEDSA-N 352.434 3.639 0 40 FHAB CCOC(=O)c1ccc(-c2ccc([C@@H]3NC(=O)c4ccccc4N3)o2)cc1 4614441 KSBSANPDXAKTTK-IBGZPJMESA-N 362.385 3.977 0 40 FHAB Cn1c(Cc2cccs2)nnc1SCC(=O)c1ccc2c(c1)CCC2 4790742 CMNYWOJEKBEUFA-UHFFFAOYSA-N 369.515 3.931 0 40 FHAB CCN(CC)Cc1nnc2sc(Cc3cccc4ccccc34)nn12 67239777 WLWIALSFUQWEBX-UHFFFAOYSA-N 351.479 3.772 0 40 FHAB CCn1cnnc1-c1cccc(NC(=O)c2cccc(Br)c2)c1 25287503 JMCJIMIEWXQLSU-UHFFFAOYSA-N 371.238 3.980 0 40 FHAB COC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C 7735694 RRWIUTQWLPDYLP-CQSZACIVSA-N 368.458 3.656 0 40 FHAB CSc1nc2ccc(NC(=O)Cn3c(=O)oc4ccccc43)cc2s1 7989721 OOGXAHDRXSYXFA-UHFFFAOYSA-N 371.443 3.565 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1ccsc1 8256249 CVWVUDUGCAOUKE-JTQLQIEISA-N 353.827 3.903 0 40 FHAB CC(C)[C@@H]1OCC2(COC(=O)c3ccc(Cl)cc3)CO[C@@H](C(C)C)N12 19720070 SUONFQLXGJKWNG-IRXDYDNUSA-N 367.873 3.562 0 40 FHAB CCc1oc2ccccc2c1CN(C)[C@H](C)C(=O)Nc1c(C)nn(C)c1C 9388849 ULXFJQVARBUMDK-OAHLLOKOSA-N 368.481 3.805 0 40 FHAB C[C@H](NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)n[nH]1)c1ccc(F)cc1 9451111 ZVBSJOJUOHGTRW-QWHCGFSZSA-N 370.453 3.969 0 40 FHAB Cn1cccc1C(=O)CSc1nnc(NCCc2cccs2)s1 9494352 KGXYJAPLEMNVLH-UHFFFAOYSA-N 364.521 3.568 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1NC(=O)CC 408696844 FGLLDSFLRNVBIZ-UHFFFAOYSA-N 362.451 3.543 0 40 FHAB Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)n1 27970772 HECNMNUAXSWEOI-UHFFFAOYSA-N 363.417 3.572 0 40 FHAB CCc1ccsc1C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C 89289599 JYERSFCPIWOFEH-CHWSQXEVSA-N 352.500 3.686 0 40 FHAB COc1ccc2cc(C(=O)NCc3ccccc3CN(C)C)c(C)nc2c1 9917572 TVSZOKFWVZYEOS-UHFFFAOYSA-N 363.461 3.543 0 40 FHAB O=C1CCCC[C@H]1[C@H]1CCCN1C(=O)c1cccc(Br)c1 75092874 AVFPXOKDDAHEEW-LSDHHAIUSA-N 350.256 3.813 0 40 FHAB Cc1ccc(N2CN(CCCN(C)C)CN=C2c2ccccc2)c(C)c1 22609065 IQRVFJFQADHZMD-UHFFFAOYSA-N 350.510 3.739 0 40 FHAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)COc1cc(C)cc(C)c1 20144070 FVBHJXFUUOEDBW-UHFFFAOYSA-N 363.797 3.681 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(C)cc23)c1 35312193 SIRSVMQIWPHJNN-UHFFFAOYSA-N 363.446 3.854 0 40 FHAB Cc1ccc(C(=O)N2N=C(c3ccc(C)cc3)C[C@@]2(O)C(F)(F)F)cc1 32101063 MIINVJGHPGJTJR-GOSISDBHSA-N 362.351 3.805 0 40 FHAB Cc1cccc(C(NC(=O)c2cccn3c(O)nnc23)c2cccc(C)c2)c1 509000011 UMWUZDSFCSCSPI-UHFFFAOYSA-N 372.428 3.571 0 40 FHAB COc1ccc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)cc1C 30291281 BQRMOPVWRPWNQG-UHFFFAOYSA-N 359.369 3.501 0 40 FHAB CCc1ncc(CN2CCC[C@H]2c2n[nH]cc2-c2cccc(OC)c2)cn1 72380398 LRGHODRMRNHIAJ-IBGZPJMESA-N 363.465 3.775 0 40 FHAB CCc1oc2ccccc2c1/C=C/C(=O)Nc1ncc(C(=O)OC)s1 32494651 DRASQSNBZSMESU-CMDGGOBGSA-N 356.403 3.890 0 40 FHAB Cc1cc(S(=O)(=O)NCc2ccco2)c(C(C)C)cc1Br 32602056 STHNCJKXNAVXJO-UHFFFAOYSA-N 372.284 3.952 0 40 FHAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@H](C)COc1ccc(C)cc1 219564629 NRZBNKPDYNLZMJ-AEFFLSMTSA-N 357.450 3.745 0 40 FHAB COc1ccc2ncc(C(=O)c3ccc(C)cc3)c(N3CCOCC3)c2c1 36102743 RGXYOGCCYACXLK-UHFFFAOYSA-N 362.429 3.619 0 40 FHAB CC(C)n1ncc2c(C(=O)NCc3ccc(F)cc3)c3c(nc21)CCC3 36358957 NHYDIJBTVPYGDD-UHFFFAOYSA-N 352.413 3.570 0 40 FHAB C[C@@H](N[C@H](C)c1ccccc1Br)C(=O)NCc1ccccc1 40161194 VYDVINSLTKCAEF-ZIAGYGMSSA-N 361.283 3.805 0 40 FHAB O=C(CSc1cc(N2CCCC2)ncn1)Nc1ccc(F)cc1Cl 49006679 BKAHAYNPRQLRNS-UHFFFAOYSA-N 366.849 3.600 0 40 FHAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 225214745 FBEFXBHIKFWUBK-QGZVFWFLSA-N 370.518 3.641 0 40 FHAB Cc1cccc(OCC(=O)Nc2cc(N)ccc2N2CCCC[C@H]2C)c1 226253357 GMXGFOGELMRJAM-MRXNPFEDSA-N 353.466 3.974 0 40 FHAB CC[C@H](Oc1ccccc1OC)C(=O)NCCOc1cc(C)ccc1C 224029397 ZBYHLBZHYVCLQN-KRWDZBQOSA-N 357.450 3.665 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(OC(C)C)c1 224537101 ZWROZBHJQMIIES-UHFFFAOYSA-N 355.843 3.937 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)COc1cc(C)nc2ccccc12 227149186 JKQJVNSCRAJESK-UHFFFAOYSA-N 364.401 3.737 0 40 FHAB CCC(CC)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1 224203133 HHQXCRYYNFORPZ-UHFFFAOYSA-N 374.506 3.739 0 40 FHAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCN(C)C)cc1 225623267 JPHBDJRMZMMVMR-FQEVSTJZSA-N 350.503 3.941 0 40 FHAB CC(C)CSc1nnc(NC(=O)COc2ccccc2Cl)s1 225583125 YTJATKUYQCEFOH-UHFFFAOYSA-N 357.888 3.957 0 40 FHAB COc1cccc(OCCNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1 225152654 FDTXOTKUVGNSCI-MRXNPFEDSA-N 369.461 3.537 0 40 FHAB Cc1nc(NC(=O)CN2C(=O)C(C)(C)c3cc(Cl)ccc32)sc1C 96182602 MRSIGKPIYAJEBJ-UHFFFAOYSA-N 363.870 3.676 0 40 FHAB Cc1cccc(NC(=O)N2CCC3(CC2)C[C@H](Nc2ccccn2)CO3)c1 96221326 JQOVRGVDCZVTQF-SFHVURJKSA-N 366.465 3.658 0 40 FHAB Cc1nc(-c2cc(C(=O)NCCc3ccccn3)c3ccccn23)cs1 96266740 LCJZJOKDGHYREY-UHFFFAOYSA-N 362.458 3.739 0 40 FHAB O=C(Cc1ccccc1)N1CCO[C@H](c2cccc(Cc3ccccc3)n2)C1 257320699 VYCPFRRPOPPHCD-QHCPKHFHSA-N 372.468 3.815 0 40 FHAB O=C(c1ccc(OC(F)F)cc1)[C@H](Br)CBr 393827855 SACHEIDFZMPVRQ-MRVPVSSYSA-N 357.976 3.629 0 40 FHAB CCc1nccn1[C@H](C)CC(=O)N[C@H]1COc2ccc3ccccc3c2C1 952994700 GYVFCZULLGESSZ-NVXWUHKLSA-N 363.461 3.670 0 40 FHAB COC(=O)c1ccc(/C=C2/N=C(c3cccc4ccccc34)OC2=O)cc1 822638 NGCABFWXMAYEBM-CPNJWEJPSA-N 357.365 3.971 0 40 FHAB Cc1cc(OCC2CCN(c3ncnc4ccc(F)cc34)CC2)ccn1 1775968558 RCJNEXNTSNSJCC-UHFFFAOYSA-N 352.413 3.768 0 40 FHAB O=C(CSc1nc(-c2ccccc2O)n[nH]1)Nc1cccc(Cl)c1 5522540 SIEVSVUUGURSID-UHFFFAOYSA-N 360.826 3.562 0 40 FHAB Oc1ccc(-n2nnnc2SCc2ccc(Cl)c(Cl)c2)cc1 5053655 SAEAQRHCOHAXRW-UHFFFAOYSA-N 353.234 3.967 0 40 FHAB CCc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2O)n[nH]1 5445007 CPQBEAMRNPGVOX-UHFFFAOYSA-N 368.462 3.779 0 40 FHAB COc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)Nc1ccc(C)c(C)c1 5753766 XRPBAYYDRPGDGL-IBGZPJMESA-N 365.433 3.579 0 40 FHAB Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(C=O)cc1 5959967 CXUUMQOYQIIUSN-UHFFFAOYSA-N 362.223 3.896 0 40 FHAB CCn1nnc2cc(C(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)ccc21 11073925 GIJUEEVQPWKYLM-UHFFFAOYSA-N 371.444 3.862 0 40 FHAB CC(C)NS(=O)(=O)c1ccc(NC(=O)CCC2CCCCC2)cc1 13042443 JVFIVZDBDMRUMK-UHFFFAOYSA-N 352.500 3.672 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(OC)cc1 14400311 AMFGASWVTABFMA-CABCVRRESA-N 370.449 3.630 0 40 FHAB O=C(c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N1CCc2ccccc21 14909204 ZHRGGLDGNIHNJV-UHFFFAOYSA-N 374.440 3.818 0 40 FHAB C[C@@H](C(=O)N[C@H]1CCCc2nc(-c3ccncc3)ncc21)c1ccccc1 19459410 IMLIYUAUFXFUMZ-QRWLVFNGSA-N 358.445 3.836 0 40 FHAB CCc1nn2c(O)cc(-c3cccnc3OC)nc2c1-c1ccc(F)cc1 19521417 DZSCOBGIRWXTEW-UHFFFAOYSA-N 364.380 3.874 0 40 FHAB CSc1cccc(N2C(=O)N(CC3CC3)c3ccccc3S2(=O)=O)c1 1889096050 PFVNWTBCAZAHAY-UHFFFAOYSA-N 374.487 3.954 0 40 FHAB Brc1ccccc1CN1CC[C@@H]2CN(c3ccccn3)C[C@@H]21 1889125175 CHESJSDMWUDWQB-WBVHZDCISA-N 358.283 3.555 0 40 FHAB O=C(c1ccc(N2CCOCC2)cc1)N1CC2(CC(c3ccccc3)C2)C1 1889240326 JGIYTQBFNFHFTM-UHFFFAOYSA-N 362.473 3.543 0 40 FHAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc2c(c1)OCO2 4087787 FAPFFRRSBNHELA-UHFFFAOYSA-N 359.794 3.840 0 40 FHAB O=S(=O)(Nc1cccc(-c2nc3cccnc3s2)c1)c1cccnc1 4036374 RYKVZCLGPJTFPE-UHFFFAOYSA-N 368.443 3.554 0 40 FHAB COc1ccc([C@@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCCC3)cc1 4086882 JYFVTDPCCHUYGQ-NRFANRHFSA-N 371.888 3.999 0 40 FHAB Cc1ccccc1Cn1cccc(C(=O)Nc2ccc(F)c(F)c2F)c1=O 5269269 CHHTWIHCINWVAG-UHFFFAOYSA-N 372.346 3.875 0 40 FHAB Cc1ccc(-c2noc(-c3nnn(-c4cccc(Cl)c4C)c3N)n2)cc1 6868174 MWYBMHWQZSJZPA-UHFFFAOYSA-N 366.812 3.837 0 40 FHAB Cc1ccc(N(C(=O)c2ccc3c(c2)OCO3)C(=O)N2CCCCC2)cc1 10254515 CFTVOIYWYODIME-UHFFFAOYSA-N 366.417 3.976 0 40 FHAB Cc1cc(-c2nnc(NC(=O)c3sc4ccccc4c3Cl)o2)nn1C 12443033 GCFZHFZWCRHDTL-UHFFFAOYSA-N 373.825 3.899 0 40 FHAB COc1ccccc1/C=C/C1=N/C(=C\c2coc3ccccc3c2=O)C(=O)O1 16960803 OTWCVSMILUJPFR-ATRNFBLSSA-N 373.364 3.811 0 40 FHAB biogenic CC(C)C(=O)N1CCCc2cc(NC(=O)NCCc3ccccc3)ccc21 22504467 PGGCXAWYXMWMJJ-UHFFFAOYSA-N 365.477 3.986 0 40 FHAB Cc1cc(N(C)C)ccc1NC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C 40111682 WYCGFPMFADZUES-UHFFFAOYSA-N 357.454 3.823 0 40 FHAB O=C(Nc1ccc(C(=O)N(Cc2ccco2)C2CC2)cc1)c1ccccn1 40115172 JLNUWYUOKUNWDD-UHFFFAOYSA-N 361.401 3.732 0 40 FHAB Cc1occc1C(=O)Nc1nc(CC(=O)NCC2CCCCC2)cs1 40128342 DLFHJMGKEHWYQU-UHFFFAOYSA-N 361.467 3.536 0 40 FHAB Cc1ccc(-n2c3c(c(=O)[nH]c2=S)CN(CC2CCCC2)CN3)cc1 20394325 AFIUVBQBPGERES-UHFFFAOYSA-N 356.495 3.579 0 40 FHAB Cc1nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3F)cc2s1 7505264 KDKFMETXTANECG-UHFFFAOYSA-N 358.366 3.823 0 40 FHAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCCc1ccccc1 36866255 PTGGRQKTQMCICX-QFIPXVFZSA-N 372.468 3.907 0 40 FHAB COc1cc(CNC(=O)Nc2ccc(C)cc2)ccc1OC[C@H]1CCCO1 45951962 BSCQKCPAOXDSGY-GOSISDBHSA-N 370.449 3.883 0 40 FHAB CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)/C=C/c1ccc(C(C)(C)C)cc1 60348053 BMRFNQBFEWCNTR-KQPPXVQYSA-N 374.550 3.814 0 40 FHAB CCOc1ccc(Nc2ccc3c(O)cc(S(=O)(=O)O)cc3c2)cc1 1669808 DKRUAVGKRFGSJA-UHFFFAOYSA-N 359.403 3.934 0 40 FHAB Cc1cc(C(=O)Nc2ccccc2-c2cccs2)ccc1-n1cnnn1 46333810 INKIZEWGOZMUKJ-UHFFFAOYSA-N 361.430 3.952 0 40 FHAB CCCCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 4428090 PQULRZUJOXXSCV-UHFFFAOYSA-N 358.463 3.767 0 40 FHAB Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)N2CCCC2)c1 4754216 AYZCZYNLSWJAHH-UHFFFAOYSA-N 363.505 3.964 0 40 FHAB Cc1cnc(C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cn1 21123565 ALWXOMSCSRADOK-MRXNPFEDSA-N 374.444 3.871 0 40 FHAB COC(=O)c1cc(=O)n(-c2ccccc2)/c(=N\c2ccccc2Cl)s1 6640374 WYQPBGXIYWLDHD-CZIZESTLSA-N 372.833 3.571 0 40 FHAB O=C(COc1ccccc1Br)c1ccc2c(c1)OCCCO2 7399983 UVHUDYMSWJDIRM-UHFFFAOYSA-N 363.207 3.872 0 40 FHAB CC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 2622803 SXFNEDASPJLUOC-UHFFFAOYSA-N 358.850 3.779 0 40 FHAB O=C(Cc1ccc2c(c1)CCC2)Nc1cc(Cl)ccc1-n1cncn1 7734773 YTCJDYUSBOLYHT-UHFFFAOYSA-N 352.825 3.591 0 40 FHAB Cc1ccc(OCC(=O)Nc2nc(-c3ccc(F)cc3)ns2)cc1C 11913943 HFCKVYOLXGLZCP-UHFFFAOYSA-N 357.410 3.979 0 40 FHAB Cc1noc(C)c1CN(C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 46407116 HKFQDLWMILAFMJ-JTQLQIEISA-N 370.280 3.907 0 40 FHAB CC(=O)OCC(=O)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 21468490 WDMSWSACCHXRAG-UHFFFAOYSA-N 359.441 3.686 0 40 FHAB O=C(O)CCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 8104854 ZXFLDSNJXXQSJU-UHFFFAOYSA-N 374.245 3.811 0 40 FHAB CN(C(=O)COC(=O)c1ccc2ccccc2n1)[C@@H]1CCCc2ccccc21 8447774 LKJDHHNUBSQXLW-OAQYLSRUSA-N 374.440 3.928 0 40 FHAB CC(C)(C)Nc1nnc(S[C@@H](C(=O)NC2CC2)c2ccccc2)s1 32841166 XJDKDNGKFPQHFM-CYBMUJFWSA-N 362.524 3.861 0 40 FHAB CCOC(=O)N1CCC(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)CC1 32818747 QZLXKNABTFIRQC-UHFFFAOYSA-N 373.453 3.932 0 40 FHAB CNC(=O)c1cccc(CNC(=O)CCc2cccc(Cl)c2Cl)c1 32924590 APBKJNNWPYXWMI-UHFFFAOYSA-N 365.260 3.602 0 40 FHAB COc1cc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc(Cl)c1OC 12217011 RBPNQKONDQMNKY-UHFFFAOYSA-N 374.824 3.958 0 40 FHAB O=C(Nc1cccc(Oc2ccc3c(c2)C(=O)NC3=O)c1)c1cccs1 2836725 XEHDYWGXVJIVHH-UHFFFAOYSA-N 364.382 3.676 0 40 FHAB COC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 9063101 IRKBBQKELXRVRI-UHFFFAOYSA-N 366.461 3.632 0 40 FHAB Cc1nc(-c2ccccn2)nc(N2CCO[C@@H](c3cccc(F)c3)C2)c1C 68699388 ZSFYREURLRMUJV-LJQANCHMSA-N 364.424 3.872 0 40 FHAB O=C(c1ccc(COCC(F)(F)F)cc1)N1CCc2ccc(O)cc2C1 41662331 BDRHQUHEQKWRME-UHFFFAOYSA-N 365.351 3.670 0 40 FHAB CC(C)c1noc2ncc(C(=O)NC[C@H](c3cccc(F)c3)N(C)C)cc12 22682954 LRGZKUXYVJLONQ-QGZVFWFLSA-N 370.428 3.518 0 40 FHAB Cc1cc(Br)c(S(=O)(=O)N2CCC(C)CC2)cc1Cl 54363152 QLKNFPVQWCICQC-UHFFFAOYSA-N 366.708 3.832 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)N1CCCC1 8041139 YIVDOUUMAXFOBG-SFHVURJKSA-N 370.424 3.858 0 40 FHAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1cn2cccnc2n1 47536024 KWWWGQVFCSRIOI-UHFFFAOYSA-N 352.781 3.573 0 40 FHAB CCc1cccc(CC)c1NC(=O)CCNC(=O)c1ccc(F)cc1F 22845009 XGNSMSADTNVFJF-UHFFFAOYSA-N 360.404 3.848 0 40 FHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)C12CC3CC(CC(C3)C1)C2 24644959 DGCYADUYCZERGJ-UHFFFAOYSA-N 360.885 3.953 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1OC 943441 RFVDPXVPBDRZHX-WUXMJOGZSA-N 369.417 3.921 0 40 FHAB Cc1ccc(N[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c(C)c1 101076861 HWQXCKFFQFITLA-INIZCTEOSA-N 373.250 3.810 0 40 FHAB COc1cc(CN[C@H]2CCC[C@@H](C)[C@@H]2C)ccc1OCC(=O)N1CCCC1 107326532 XLTHLDILRPMXCA-AOIWGVFYSA-N 374.525 3.611 0 40 FHAB S=C(NCCSCc1ccccc1)Nc1ccc2c(c1)OCCO2 53579599 BWCRLHRJYXDHQF-UHFFFAOYSA-N 360.504 3.678 0 40 FHAB Cc1ccc(OCCC(=O)Nc2cccc(NC(=O)NC(C)C)c2)cc1 24510592 QDXVICCZBMHRQW-UHFFFAOYSA-N 355.438 3.933 0 40 FHAB Cc1cccc(N2CCN([C@H](CC(C)C)c3nnnn3C(C)C)CC2)c1C 57670205 BZVSOQBYOOAVSQ-HXUWFJFHSA-N 370.545 3.780 0 40 FHAB Cc1ccc(C(C)C)c(OCc2nn(CN3CCOCC3)c(=S)o2)c1 25178279 SEWWBGAYNXCOCB-UHFFFAOYSA-N 363.483 3.506 0 40 FHAB CN(C)[C@@H](CNC(=O)c1c[nH]c(=S)n1-c1ccccc1)c1ccsc1 25331092 KXKSQHJTGYKTPX-HNNXBMFYSA-N 372.519 3.629 0 40 FHAB Cc1nc(C)c([C@H](C)NC(=O)/C=C/c2c(Cl)nc3ccccn23)s1 56021086 NSJJGDRDQXQWCU-AEZGRPFRSA-N 360.870 3.952 0 40 FHAB Cc1ccc(S(=O)(=O)/N=c2\sc3ccccc3n2C(F)F)cc1 100762091 QWSHCSGJIAPDNP-SDXDJHTJSA-N 354.403 3.696 0 40 FHAB O=C(COC(=O)/C=C/c1cccc(F)c1)Nc1ncc(Cl)cc1Cl 3260919 NJXXOWPJALVZRC-SNAWJCMRSA-N 369.179 3.723 0 40 FHAB C[C@]1(C(=O)Nc2nc3ccccc3nc2N2CCCC2)CC1(Cl)Cl 22284031 XTMHCOAEWMTMFU-MRXNPFEDSA-N 365.264 3.752 0 40 FHAB CC(C)CNC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 8188661 KSDPRIBTZJVGDZ-UHFFFAOYSA-N 365.227 3.680 0 40 FHAB Cn1ccnc1[C@H](NC(=O)Cc1cccc(F)c1)c1ccc(Cl)cc1 12627470 ZYONRCLJFARKFA-GOSISDBHSA-N 357.816 3.661 0 40 FHAB CCN(CC)C[C@H](C)[C@H](C)OC(=O)C(O)(c1ccccc1)c1ccccc1 1841035 FYKBYTUHWXJHBK-OALUTQOASA-N 369.505 3.832 0 40 FHAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1OC 20456168 UQDSDUQFASKUMX-OIOXUXFSSA-N 371.433 3.612 0 40 FHAB O=C(CSCc1ccc(Cl)cc1)NCCSc1ccccn1 2076477 OSZUQGKDMAXUAA-UHFFFAOYSA-N 352.912 3.877 0 40 FHAB Cc1ccccc1-c1noc(CCC(=O)NCc2ccc(Cl)cc2)n1 44842180 HGKNMYSAWHFKDN-UHFFFAOYSA-N 355.825 3.947 0 40 FHAB Cc1ccccc1NC(=O)COC(=O)CCCc1c[nH]c2ccccc12 3307434 CTEYANCKNJZTSZ-UHFFFAOYSA-N 350.418 3.981 0 40 FHAB CC(=O)Nc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1 10281509 GFTBSZXAWFOQOQ-UHFFFAOYSA-N 365.477 3.561 0 40 FHAB CC(=O)c1cccc(NC(=O)Nc2ccc(CS(=O)(=O)C(C)C)cc2)c1 58289806 ADWVIOIEQCUJOA-UHFFFAOYSA-N 374.462 3.856 0 40 FHAB CCc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(OC)cc3)NC(=O)CN21 2126026 LCOZWBRWQRCCNM-OTOIZHKDSA-N 362.473 3.895 0 40 FHAB biogenic O=C(OCc1csc(C2CCCC2)n1)c1cccc(N2CCNC2=O)c1 58311469 CWQFDNSQGCEPKL-UHFFFAOYSA-N 371.462 3.687 0 40 FHAB CCOc1cc2c(cc1NC(=O)c1cnc3onc(C)c3c1)O[C@H](C)C2 12791271 WMYMXSZBEOHTJH-SNVBAGLBSA-N 353.378 3.506 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(N2CCCC2=O)c1 10541152 GAQMUJHZVHZRMK-UHFFFAOYSA-N 374.444 3.868 0 40 FHAB CSc1ccccc1NC(=O)CN(C)CCO[C@@H]1CCCC[C@H]1C 48353622 HUBFKQFUQVQGLL-NVXWUHKLSA-N 350.528 3.874 0 40 FHAB C[C@H](NC(=O)CCNC(=O)c1ccco1)c1ccc(-c2ccccc2)cc1 12824608 CMZBBTFMNHSCMN-INIZCTEOSA-N 362.429 3.944 0 40 FHAB Cc1ccc(NC(=O)COC(=O)c2ccccc2Br)cc1F 3506795 RBAGXPJFVPCEGU-UHFFFAOYSA-N 366.186 3.692 0 40 FHAB CC(C)c1ccccc1NC(=O)[C@H](C)N1CCN(c2ccccc2O)CC1 8309101 CWTIEPDXCNRCIP-KRWDZBQOSA-N 367.493 3.665 0 40 FHAB Cc1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1Br 5121332 ZNOZGLDACHZVSA-GFCCVEGCSA-N 366.280 3.897 0 40 FHAB Cc1ccccc1-c1nn2c([C@@H]3COc4ccccc4O3)nnc2s1 4384002 GIVIBXISRCOEJJ-HNNXBMFYSA-N 350.403 3.674 0 40 FHAB CCCn1c(SCC(=O)c2ccc[nH]2)nc2sc3c(c2c1=O)CCC3 5212557 ORYKSOVVVHTXEP-UHFFFAOYSA-N 373.503 3.660 0 40 FHAB COc1ccc(C(=O)Cn2cc(-c3ccc(Cl)cc3)[n+]3c2CCC3)cc1 17209336 NNYHMRMMBWRWCY-UHFFFAOYSA-N 367.856 3.934 0 40 FHAB CN(C)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 14246678 YSALXWNNZQMNRW-UHFFFAOYSA-N 356.429 3.848 0 40 FHAB O=C(N/C(=C/c1cccs1)C(=O)N1CCc2ccccc21)c1ccco1 4740014 GFVRKCHYBLHSCB-DTQAZKPQSA-N 364.426 3.701 0 40 FHAB COc1ccc(NCC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 5638230 PTYURWJVUONNRR-UHFFFAOYSA-N 354.328 3.773 0 40 FHAB CCc1nnc(NC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)s1 8751410 JTVIWGHFXRJUMT-UHFFFAOYSA-N 356.451 3.944 0 40 FHAB C[C@@H](Sc1nnc(-c2cccs2)o1)c1nc2ccccc2c(=O)[nH]1 8709392 HROPXKDGJCIVMJ-SECBINFHSA-N 356.432 3.888 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)c1 15641009 WAKHMOQLVSYXAH-UHFFFAOYSA-N 371.824 3.854 0 40 FHAB Brc1ccc([C@@H]2C[C@@H](c3cccs3)Nc3nnnn32)cc1 15866469 JVUMKBNQXMNRIY-RYUDHWBXSA-N 362.256 3.643 0 40 FHAB O=C(CSc1ccc(F)cc1F)NCc1ccccc1Cn1cccn1 8938872 NRRDNVDJWNKRPQ-UHFFFAOYSA-N 373.428 3.618 0 40 FHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1ccccc1Cl 9451827 BPLFGQPOHPTSAE-AWEZNQCLSA-N 371.868 3.536 0 40 FHAB O=C(C[C@H]1Sc2ccccc2NC1=O)NCCc1cccc(Cl)c1 9690240 SHHUUQKALPMRNF-MRXNPFEDSA-N 360.866 3.502 0 40 FHAB CC(=O)Nc1cccc([C@H](C)NC(=O)c2c[nH]nc2-c2ccccc2F)c1 87065179 UBGKUIRKRSVDGL-LBPRGKRZSA-N 366.396 3.665 0 40 FHAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c(OC)c1 110162767 RLZFDBMFFGERHV-UHFFFAOYSA-N 355.434 3.699 0 40 FHAB Cc1nn2cccnc2c1C(=O)OC1(c2ccccc2Br)CC1 89534550 INWVRFHXWPLFCN-UHFFFAOYSA-N 372.222 3.646 0 40 FHAB CC(C)Nc1cccc(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)c1 75106396 BWVFTSAHPHILPY-OAHLLOKOSA-N 364.449 3.972 0 40 FHAB Cc1cnn(-c2ccc(C(=O)N3Cc4ccccc4N(C)C[C@H]3C)cc2)c1 75107289 DTHPGWXYVUKOAK-QGZVFWFLSA-N 360.461 3.661 0 40 FHAB O=C(Nc1ccc(F)c(F)c1F)c1cn2c3c(cccc3c1=O)CCC2 22235601 ZPPCFMZKBOWNOB-UHFFFAOYSA-N 358.319 3.617 0 40 FHAB CCc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 408707947 MTXLZJKUFDEWBA-LJQANCHMSA-N 350.462 3.535 0 40 FHAB COc1cc(OC)cc(C(=O)NC(=S)NC(C)(C)CC(C)(C)C)c1 27516674 MQPKEULLSGLPNH-UHFFFAOYSA-N 352.500 3.523 0 40 FHAB CC(C)c1nnc(C2CCN(C(=O)c3ccc4ccccc4n3)CC2)o1 38518120 MTKRJKVCONTRKR-UHFFFAOYSA-N 350.422 3.761 0 40 FHAB CCOC(=O)C1CCN(c2cc(C)nc3cc(-c4cccs4)nn23)CC1 35314763 CPWXESXMKGCZOR-UHFFFAOYSA-N 370.478 3.546 0 40 FHAB C[C@](O)(Cn1nc(-c2ccccc2)c(-c2ccccc2)cc1=O)C(F)(F)F 513217141 JOZJQRPAMSZWRR-IBGZPJMESA-N 374.362 3.891 0 40 FHAB O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1ncoc1CCC(F)(F)F 1517178161 AUCMQTRVDANAPW-UHFFFAOYSA-N 368.290 3.747 0 40 FHAB Cc1ccccc1O[C@H](C)C(=O)N1CCN(c2cccc(Cl)c2)CC1 30864386 XBDMUIRKWQOKRA-MRXNPFEDSA-N 358.869 3.765 0 40 FHAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cnc(Cl)c(Cl)c1 8851572 ODQFHISCPSCLFM-UHFFFAOYSA-N 350.205 3.533 0 40 FHAB COc1cccc2c1NCC21CCN(C(=O)OCc2ccccc2)CC1 79033775 OWNVOOWIJBRDOD-UHFFFAOYSA-N 352.434 3.791 0 40 FHAB Cn1nccc1C(=O)N1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 72350040 ROAOVWXSXFJUOQ-MRXNPFEDSA-N 364.424 3.641 0 40 FHAB Cc1ccc(C)c(NC(=S)NCc2cccc(N3CCCC3=O)c2)c1 44077891 PORXGAAWJKEWMX-UHFFFAOYSA-N 353.491 3.917 0 40 FHAB C[C@@]12CC[C@@H]3C[C@]1(C(=O)Nc1ccccc1Br)OC[C@]32C 239377898 ODTQSVJTRLNQCN-KLWIRTJPSA-N 350.256 3.983 0 40 FHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)NCC1(c2ccccc2)CC1 40068890 QSSVRCGXBQZHNA-UHFFFAOYSA-N 352.434 3.679 0 40 FHAB O=S(=O)(Cc1c(F)cccc1Cl)NCCSC1CCCC1 224207364 YNLIXCKBKGSNQZ-UHFFFAOYSA-N 351.896 3.574 0 40 FHAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(SC)s1 224300650 WYPRPESMWZHTIT-CQSZACIVSA-N 363.508 3.935 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 42646669 QAEITBVBVORUPD-TVQRCGJNSA-N 362.779 3.992 0 40 FHAB COc1ccc(CNC(=S)Nc2ccccc2Cl)c(OC)c1OC 44252071 NJHGEFHQHQBDPE-UHFFFAOYSA-N 366.870 3.852 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F 224776632 ZQIPFNNLFPCCRL-QGZVFWFLSA-N 370.468 3.620 0 40 FHAB C[C@]1(C(=O)NCCCc2ccccc2F)CC(c2cccc(F)c2)=NO1 223272701 TYPZMPPOIRBCFQ-HXUWFJFHSA-N 358.388 3.597 0 40 FHAB CC(C)Cn1nc(CC(=O)Nc2cccc3[nH]ccc23)c2ccccc2c1=O 95480006 WUIUSQLZYZCIIJ-UHFFFAOYSA-N 374.444 3.715 0 40 FHAB C[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCc2ccc(F)cc2[C@@H](C)C1 1590304034 OQYVRVCNUJTPML-KBPBESRZSA-N 351.429 3.729 0 40 FHAB O=C(O)c1nn(-c2ccccc2Cl)nc1N1CC[C@H](c2ccccc2)C1 256048017 QCZYBOYOLMHSIC-AWEZNQCLSA-N 368.824 3.613 0 40 FHAB Cc1cccc(CC2(O)CCN(C(=O)c3c(C)[nH]c4ccccc34)CC2)c1 684503247 CALFQHMXANLWPL-UHFFFAOYSA-N 362.473 3.995 0 40 FHAB C[C@@H](CCNC(=O)[C@H](C)CC(F)F)Nc1cnc2cc(F)c(F)cc2n1 1775992512 QRNOQKOIOISZNF-ZJUUUORDSA-N 372.366 3.506 0 40 FHAB C[C@H](Sc1nnc(C2CCCCC2)o1)c1nnnn1-c1ccccc1 41575109 QGHPLCHWCVFEJX-LBPRGKRZSA-N 356.455 3.946 0 40 FHAB O=C(Nc1ncn(Cc2ccccc2)n1)[C@H]1CCCC[C@@H]1C(F)(F)F 68379046 VDKKMIIBEIISAR-KBPBESRZSA-N 352.360 3.634 0 40 FHAB Cc1nc(C(F)(F)F)ccc1C(=O)Nc1[nH]nc(C(F)(F)F)c1C 64039379 OAWNEPHOGJMGNO-UHFFFAOYSA-N 352.238 3.711 0 40 FHAB CC1(C)CN(CC(=O)NCCc2cccc3cccnc23)Cc2ccccc21 89919684 AMTIHXUEAVEPJG-UHFFFAOYSA-N 373.500 3.687 0 40 FHAB COc1ccc(OC)c(/C=C/C(=O)OCC(=O)c2ccc(Cl)cc2)c1 3253635 MQPIZJBXSWXSOA-BJMVGYQFSA-N 360.793 3.797 0 40 FHAB Cc1nnc(NC(=O)CC2(N3Cc4ccccc4C3=O)CCCCC2)s1 1565524308 FPSSWBBUDTTZQK-UHFFFAOYSA-N 370.478 3.534 0 40 FHAB Cc1nc2ccc(NC(=O)CCn3c(=O)oc4ccccc43)cc2s1 5243732 BQKHCTUSSMHZFA-UHFFFAOYSA-N 353.403 3.541 0 40 FHAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc2ccccc12 5933430 VMGUCBPDGFTSET-GOSISDBHSA-N 353.491 3.501 0 40 FHAB Cc1ccc(-n2nc(C)cc2OS(=O)(=O)c2ccc(F)c(C)c2)cc1 11691509 LSWDFKHCABXKJV-UHFFFAOYSA-N 360.410 3.704 0 40 FHAB Cc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)c(C)c1 11914784 XCAAMTSNZRWURM-UHFFFAOYSA-N 353.809 3.755 0 40 FHAB CC(C)C[C@@H](NC(=O)c1ccccn1)c1nc2cccnc2n1C(C)C 12114108 ZINJRITYFLKMKI-QGZVFWFLSA-N 351.454 3.924 0 40 FHAB Cc1cc2c(cc1CN1CCC[C@](O)(c3ccc(F)cc3)CC1)OCO2 12188841 XSUDUSKACQCLMF-OAQYLSRUSA-N 357.425 3.737 0 40 FHAB Cc1ccc(C(=O)O)cc1S(=O)(=O)N(C)c1ccc2ccccc2c1 13029447 RSIZUDILXJJKBN-UHFFFAOYSA-N 355.415 3.672 0 40 FHAB O=C1C[C@H](C(=O)Nc2cccc3ccccc23)n2c(nc3ccccc32)N1 17073576 BDTZVJBJCMJJRH-GOSISDBHSA-N 356.385 3.712 0 40 FHAB CCCn1c(C)cc2cc(NC(=O)c3cnc(N(C)C)nc3C)ccc21 19525993 ZMHYCGCHQPHMQX-UHFFFAOYSA-N 351.454 3.776 0 40 FHAB CCCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccccc1OC)C3 19816462 SOFSGARJZJAZAM-GFCCVEGCSA-N 368.462 3.548 0 40 FHAB Cc1ccccc1NC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 7400164 MDRIEOVFGARZMD-RGEXLXHISA-N 371.400 3.878 0 40 FHAB CCCCC(=O)N1CCN(c2ccc(-c3ccc(C)cc3C)nn2)CC1 11695310 SBRIGEBPNHUDIA-UHFFFAOYSA-N 352.482 3.599 0 40 FHAB Cc1ccc2c(CC(=O)OCC(=O)N3[C@@H](C)CCC[C@H]3C)coc2c1C 5301931 BXPLSVXBMINMMP-GASCZTMLSA-N 357.450 3.925 0 40 FHAB O=C(NC[C@@]1(O)CCCc2sccc21)c1ccccc1C(F)(F)F 1889119528 NKERYHUVNJHJSK-INIZCTEOSA-N 355.381 3.721 0 40 FHAB Cn1ccnc1[C@H](NC(=O)c1nc(Cl)ccc1Cl)c1ccccc1 16470861 MOUGKHQZEUUELF-CQSZACIVSA-N 361.232 3.641 0 40 FHAB Cc1ccc(/C=C/C(=O)NC[C@H](c2cccs2)N2CCOCC2)c(C)c1 25458431 ZWTRVIRJMNAPSG-IHHMQQGQSA-N 370.518 3.568 0 40 FHAB CCOc1ccc2c(c1)sc(=NC(=O)Cc1ccc(C)c(C)c1)n2C 245108447 SXOKPLLSNDRXFA-UHFFFAOYSA-N 354.475 3.925 0 40 FHAB Cc1ccc2cc(CCNC(=S)Nc3ccccc3F)c(=O)[nH]c2c1C 4225428 MQLPKKBUPNOZIF-UHFFFAOYSA-N 369.465 3.813 0 40 FHAB COc1ccc(-c2ccc(NS(=O)(=O)c3cc(C)cc(C)c3)cc2)nn1 5150722 CDIFVOABJHCSMC-UHFFFAOYSA-N 369.446 3.570 0 40 FHAB O=C(COc1ccc(F)cc1)NCCc1csc(-c2cccc(F)c2)n1 5137541 UHSQVEPOGXBEOK-UHFFFAOYSA-N 374.412 3.826 0 40 FHAB CC(=O)N1CCCc2ccc(NC(=O)c3ccc(Br)o3)cc21 5252262 ILPKEBKYPIJRJV-UHFFFAOYSA-N 363.211 3.594 0 40 FHAB O=C(Nc1ccccc1F)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 15883216 QRPPYHYFERGECI-UHFFFAOYSA-N 356.784 3.941 0 40 FHAB O=C(Cc1csc(NC(=O)NC2CCCC2)n1)NC1CCCCCC1 17149646 PLGOWQLMHBSIDN-UHFFFAOYSA-N 364.515 3.589 0 40 FHAB COc1cccc(CN2CCN(Cc3cccnc3)c3ncccc3C2)c1 2055732584 QSOHFGFMPUQNBD-UHFFFAOYSA-N 360.461 3.508 0 40 FHAB O=C(/C=C/c1ccco1)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 220892530 JYCDCIYBPKADJV-VBROQKIQSA-N 369.446 3.886 0 40 FHAB Cc1cc(C)n([C@@H](CNC(=O)NCc2ccc(F)cc2)c2cccs2)n1 575609477 CFGDPLJGZGEXNA-KRWDZBQOSA-N 372.469 3.789 0 40 FHAB O=C(CCNC(=O)OCC(F)(F)F)Nc1cc(Cl)cc(Cl)c1 40157947 HZQRSWZTLFRWCX-UHFFFAOYSA-N 359.131 3.611 0 40 FHAB C[C@@H](C(=O)Nc1cccc(OC[C@H]2CCCO2)c1)n1cnc2ccccc21 30633994 JKWDKVHVQFGQJB-MAUKXSAKSA-N 365.433 3.794 0 40 FHAB O=C(COc1cccc(-c2noc(-c3cccc(F)c3)n2)c1)N1CCCC1 40488330 CWEAXFQJWQRWRU-UHFFFAOYSA-N 367.380 3.544 0 40 FHAB CCN(C(=O)[C@@H](C)Sc1nnnn1-c1ccc(C)cc1)C1CCCCC1 8282782 YXMVHCMXVBANJH-OAHLLOKOSA-N 373.526 3.633 0 40 FHAB O=C(Nc1nc(-c2cccnc2)cs1)c1cccc(NC(=O)C2CC2)c1 29252830 OOVGWCYYULXIOD-UHFFFAOYSA-N 364.430 3.806 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2cccs2)n1C 905409 DTVZRJVTZQVULA-LBPRGKRZSA-N 370.503 3.614 0 40 FHAB CCOC(=O)c1ccc(O[C@H]2CCCCO2)c(O[C@H]2CCCCO2)c1 1727291 KTXMVCSMCQJGMZ-ROUUACIJSA-N 350.411 3.674 0 40 FHAB COc1ccc(NC(=O)Oc2ccc3c(C)cc(=O)oc3c2)c(OC)c1 1728823 UMFISGXXMWLFEH-UHFFFAOYSA-N 355.346 3.730 0 40 FHAB CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 3830838 DBEPLOCGEIEOCV-CSSSSBCVSA-N 372.553 3.815 0 40 FHAB in-man CC(C)Cc1ccc([C@@H](C)NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 8311967 UKCCANCCZMIOBN-OAHLLOKOSA-N 359.491 3.780 0 40 FHAB CC(=O)N[C@@H](CC(=O)N[C@@H](c1cccs1)C(C)C)c1cccs1 21467103 BKCNKQBTWCHWHP-SUMWQHHRSA-N 350.509 3.890 0 40 FHAB O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)c1ccc(F)cc1 4861471 RCHHGVCWUUPSBK-UHFFFAOYSA-N 356.357 3.759 0 40 FHAB CC(=O)c1c[nH]c(C(=O)N2CCc3cc(-c4csc(C)n4)ccc32)c1 32842270 UXQNLYHIVAHSNL-UHFFFAOYSA-N 351.431 3.852 0 40 FHAB Cc1cc(C)cc(NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 6280967 IFGJGUVBMOCXES-KRWDZBQOSA-N 374.506 3.713 0 40 FHAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3F)o2)cc1 6426854 JDUQMAQOQIKINM-UHFFFAOYSA-N 373.409 3.827 0 40 FHAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCCC[C@H]1C 6947992 CJOLXNKGGMROLU-MRXNPFEDSA-N 372.538 3.772 0 40 FHAB CCc1ccc(N[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 7214002 PNEHCIPYPPQNNA-MRXNPFEDSA-N 373.250 3.756 0 40 FHAB Cc1csc(=O)n1CCCC(=O)Nc1nnc(C2CCCCC2)s1 32837349 FZCIAOVLUWCIGS-UHFFFAOYSA-N 366.512 3.536 0 40 FHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)/C=C/c2ccc(F)cc2)c(C)c1 7645829 IBLVNYIARSAXSH-JXMROGBWSA-N 354.425 3.861 0 40 FHAB Cc1[nH]c2ccc(C(=O)O[C@H](C)C(=O)N(C)c3ccccc3)cc2c1C 7984947 LAUDHXVAXBTCKI-OAHLLOKOSA-N 350.418 3.993 0 40 FHAB O=C(Nc1cccc(N2CCOC2=O)c1)c1cccc(Br)c1 32816826 YEGLBKMALDUGCJ-UHFFFAOYSA-N 361.195 3.658 0 40 FHAB O=C(CCOc1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)CC1 52554517 KSQAPBZXEDXVAG-UHFFFAOYSA-N 372.896 3.890 0 40 FHAB CC(=O)Nc1cc(C(=O)CSc2nc3ccccc3s2)ccc1O 8526604 HMSCXNJCJCZCEE-UHFFFAOYSA-N 358.444 3.935 0 40 FHAB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2)cc1C 8412878 VZXDJFRVOWWXLH-UHFFFAOYSA-N 368.433 3.594 0 40 FHAB Cc1ccc(NC(=O)Cn2nc(COc3ccccc3)oc2=S)cc1 8550213 LXBOAFZIKOZJHB-UHFFFAOYSA-N 355.419 3.732 0 40 FHAB COc1ccc2cc(COC(=O)c3cccc(OC)c3O)c(Cl)nc2c1 21742432 GWJQULKYRAAGSY-UHFFFAOYSA-N 373.792 3.968 0 40 FHAB CCOCCCn1c(NC(=O)c2cccc3cn[nH]c23)nc2ccccc21 102757788 HWCUEJAUKSQYLI-UHFFFAOYSA-N 363.421 3.592 0 40 FHAB CCCOC(=O)c1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1 10442899 OIYMPRUPWIWGGU-UHFFFAOYSA-N 355.390 3.553 0 40 FHAB Cc1cccc(OCCSc2nc3ccccc3n2CC(=O)O)c1C 12062283 IAXXFDWDVVVZSA-UHFFFAOYSA-N 356.447 3.909 0 40 FHAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(OC)cc3)ccc21 10972077 KHSQIGDYZRRAIX-UHFFFAOYSA-N 368.433 3.719 0 40 FHAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3cccs3)ccc21 10972201 HOYQNJWCGKEOEO-UHFFFAOYSA-N 358.463 3.701 0 40 FHAB Cc1c(NC(=O)C2=NO[C@H](c3ccccc3)C2)cccc1N1CCCC1=O 53115414 BTLMPORNVDWDEA-IBGZPJMESA-N 363.417 3.578 0 40 FHAB COc1cc(SC)ccc1C(=O)Nc1ccc(Br)cn1 852606 NWHCGLSKEMBLQZ-UHFFFAOYSA-N 353.241 3.827 0 40 FHAB CC[C@H]1CCc2c(sc3ncn4nc(-c5cnn(CC)c5)nc4c23)C1 2803685 NIKFINTVYQDEQV-NSHDSACASA-N 352.467 3.737 0 40 FHAB C[C@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@H]1C2 104818712 CBRNIFWSVABKAH-CBNQQXHVSA-N 369.509 3.871 0 40 FHAB CC[C@@]1(c2ccccc2)NC(=O)N(CN(C)Cc2ccc(Cl)cc2)C1=O 23731330 WOAZBGPMUBUTOC-FQEVSTJZSA-N 371.868 3.587 0 40 FHAB CSc1cccc(NC(=O)NC2CCN(Cc3ccncc3)CC2)c1 47324607 YXNMSGIDUXUNOZ-UHFFFAOYSA-N 356.495 3.590 0 40 FHAB COc1ccc(CN(C)Cn2ncn(-c3ccccc3)c2=S)cc1F 24584510 CYHBLISGPBOZOG-UHFFFAOYSA-N 358.442 3.640 0 40 FHAB COc1cc(OC)cc(C(=O)c2ccccc2I)c1 43210130 SWBBPTFFDCDYOG-UHFFFAOYSA-N 368.170 3.539 0 40 FHAB O=C1N(Cc2cccnc2)CCCC12CCN(C[C@@H]1CC=CCC1)CC2 108525804 FQOZWZDPIUVYIQ-LJQANCHMSA-N 353.510 3.643 0 40 FHAB C[C@H](OC[C@@H](O)CN1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 12550701 XVFLPTFHXKTVFW-UWJYYQICSA-N 374.912 3.601 0 40 FHAB Cc1ccc(S(=O)(=O)/N=c2/sc3ccccc3n2C(F)F)cc1 12574860 QWSHCSGJIAPDNP-OBGWFSINSA-N 354.403 3.696 0 40 FHAB COc1ccc(Oc2cc(N[C@H](C)C(=O)N3CCCC3)ccc2OC)cc1 12517545 QHMUKLXGNZFBBW-OAHLLOKOSA-N 370.449 3.919 0 40 FHAB NC(=O)c1cccc(NC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)c1 43715906 VZDIDEWVPOAYNR-NRFANRHFSA-N 371.440 3.965 0 40 FHAB CCn1cc(C(=O)NC2CCCC2)c(=O)c2cc(C(F)(F)F)ccc21 22236646 POMIAIFVPMALLR-UHFFFAOYSA-N 352.356 3.713 0 40 FHAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(OCC(F)(F)F)cc1 22417887 DZLYTWYDFTZEGC-GFCCVEGCSA-N 371.330 3.851 0 40 FHAB CC(=O)NC[C@@H]1CCCN(C(=O)NCC2CCC(c3ccccc3)CC2)C1 108580689 WPTCQRUIQHLYHE-SCCNAQOGSA-N 371.525 3.518 0 40 FHAB O=S(=O)(Nc1ccc(Br)cn1)c1ccc2c(c1)CCCC2 28248825 RZSVNDRHFKOIGH-UHFFFAOYSA-N 367.268 3.524 0 40 FHAB CCc1sc(C(=O)N[C@@H](c2ccc(OC)cc2)c2nccn2C)cc1C 12602182 PNOGGGZPENLYCO-SFHVURJKSA-N 369.490 3.880 0 40 FHAB COc1ccc(SCCCC(=O)N2CC(=O)Nc3ccccc32)cc1 21009849 JDNTXZIIMBPPKC-UHFFFAOYSA-N 356.447 3.553 0 40 FHAB O=C(c1ccc(Cn2cccn2)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 10261449 MUVGHKYTBMCDQU-FQEVSTJZSA-N 371.444 3.785 0 40 FHAB Cn1cccc1C(=O)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 3352015 ZJZBLKUJBCFNKV-GOSISDBHSA-N 352.365 3.701 0 40 FHAB Cc1nccc(C(=O)Nc2ccccc2NC(=O)c2ccc(Cl)cc2)n1 58417577 MTKKSOABCCWZLE-UHFFFAOYSA-N 366.808 3.943 0 40 FHAB CC(C)(C)c1ncc(C(=O)Nc2cccc(-c3ccc(O)nn3)c2)s1 58427158 IEOWHTOJFQTYAQ-UHFFFAOYSA-N 354.435 3.856 0 40 FHAB Cc1noc([C@H](C)NC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)n1 58429896 PQOKCLJIBWIDFK-JQTRYQTASA-N 359.735 3.941 0 40 FHAB Cc1cc(C)c(C(=O)COC(=O)c2cc(Br)c[nH]2)c(C)c1 28176847 NMSDKMCMTBEGLY-UHFFFAOYSA-N 350.212 3.742 0 40 FHAB C[C@H](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1 12758103 PBDDFQLFSNFTKL-GFCCVEGCSA-N 351.855 3.876 0 40 FHAB CCSc1nc(NC[C@@H](C)O)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2423645 DPRIGHLKISTUNH-QGHHPUGFSA-N 367.540 3.837 0 40 FHAB COc1ccc(CNC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 3517680 PUEYBAULILVVSK-UHFFFAOYSA-N 364.401 3.779 0 40 FHAB O=C(CCCc1nc2ccccc2s1)Nc1ccc2c(c1)NC(=O)CO2 12917881 XSXSMXOOVGWIHT-UHFFFAOYSA-N 367.430 3.589 0 40 FHAB Cc1cccc2sc(NC(=O)[C@@H]3CCCN(C(=O)c4ccoc4)C3)nc12 13013124 IMAHADVEEBELMS-CYBMUJFWSA-N 369.446 3.689 0 40 FHAB Cc1ccccc1NC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 4018931 SOPSZIDTQABLCC-VZJWBNGJSA-N 372.424 3.559 0 40 FHAB Cc1ccc(-n2c(C)nc3ccc(NC(=O)c4ccccn4)cc3c2=O)cc1 23143783 BNYUFCKKLQRJDA-UHFFFAOYSA-N 370.412 3.650 0 40 FHAB CCOc1ccccc1NC(=O)COC(=O)CCc1c[nH]c2ccccc12 8650153 MODSHEAJMUADGE-UHFFFAOYSA-N 366.417 3.681 0 40 FHAB COc1ccc(C(=O)OCC(=O)N2CC[C@H](C)Sc3ccccc32)cc1 6055338 HHFBRQZFJLWVCF-AWEZNQCLSA-N 371.458 3.770 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NC(C)C 20482652 SANLFYXGFULNTD-IBGZPJMESA-N 370.449 3.630 0 40 FHAB O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1c(F)cccc1Cl 6219358 NFJXTLTWNATRGZ-KRWDZBQOSA-N 371.799 3.624 0 40 FHAB COc1cccc(C(=O)O[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 4485754 VKBPQJVEXGBITR-JTQLQIEISA-N 358.419 3.528 0 40 FHAB C[C@@H](C(=O)Nc1ccc(Br)cc1F)N(C)Cc1ccco1 14016668 LOTNANCWIAHEOU-JTQLQIEISA-N 355.207 3.640 0 40 FHAB CC(=O)N[C@@H](CC(=O)NCC12CC3CC(CC(C3)C1)C2)c1cccs1 14043408 BYYARAAFGRLRIN-FAKMSMKASA-N 360.523 3.648 0 40 FHAB COc1ccc([C@H](NCC(=O)N2CCCCCC2)c2ccccc2)cc1 14199763 CKODHZHGHBWODC-JOCHJYFZSA-N 352.478 3.777 0 40 FHAB CCN1C(=O)[C@](O)(CC(=O)c2c(C)c(C)cc(C)c2C)c2ccccc21 4554414 RXJHLGILIPUVAH-QFIPXVFZSA-N 351.446 3.747 0 40 FHAB C[C@H]1Oc2ccccc2C(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 6669858 AQOBQOSXDUCSHO-SNVBAGLBSA-N 350.201 3.943 0 40 FHAB COc1ccc2c(CC(=O)Nc3cc4c(cc3C(C)=O)OCO4)coc2c1 6653160 TZBPJEVAKPMFDO-UHFFFAOYSA-N 367.357 3.554 0 40 FHAB Nc1nc(SCc2ccc(C(=O)O)o2)nc2sc3c(c12)CCCC3 8721135 IYXDBVMFRHVFOK-UHFFFAOYSA-N 361.448 3.736 0 40 FHAB COc1ccc(OCc2noc(CN3c4ccccc4C[C@@H]3C)n2)cc1 8707431 GMAWHZGVGRPSEJ-AWEZNQCLSA-N 351.406 3.608 0 40 FHAB C[C@H](OC(=O)c1cccc2ccccc12)C(=O)NC(=O)NC1CCCCC1 4836654 TYCACOZYJWUIFP-AWEZNQCLSA-N 368.433 3.544 0 40 FHAB CCN(CC)CCCNC(=O)COc1ccc2oc3c(c2c1)CCCC3 4950448 MXAQDIMSWAPMBY-UHFFFAOYSA-N 358.482 3.539 0 40 FHAB COc1cc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc(Cl)c1OC 6988093 DDIGHJIGWOPMJR-UHFFFAOYSA-N 374.824 3.736 0 40 FHAB Cc1ccc(SCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 7073535 APXRKMVVVULLBF-UHFFFAOYSA-N 368.502 3.964 0 40 FHAB NC1=Nc2nc3ccccc3n2[C@H](c2ccccc2OCc2ccccc2)N1 7126269 JILMQZAAAWQVKS-HXUWFJFHSA-N 369.428 3.712 0 40 FHAB COc1cc(C)sc1C(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1 70807642 NUUZJMBMQJSDJF-CYBMUJFWSA-N 358.463 3.683 0 40 FHAB Cc1n[nH]c2ccc(-c3cncc(OC[C@H](N)Cc4ccccc4)c3)cc12 16052884 BPNUQXPIQBZCMR-LJQANCHMSA-N 358.445 3.882 0 40 FHAB in-vitro CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)CCC3)nnc1C1CC1 7841326 GKJMSNUYAWBOTL-LBPRGKRZSA-N 356.495 3.783 0 40 FHAB CCCCC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccccc3CC)C2)s1 9224808 DVSFCRDRVCHVSE-AWEZNQCLSA-N 372.494 3.750 0 40 FHAB O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N1CCN(Cc2cccs2)CC1 28631874 FTCGBFPGIMPIGD-QZTJIDSGSA-N 360.910 3.849 0 40 FHAB CCc1cc2c(N(Cc3cccnc3)C[C@@H]3CCCO3)ncnc2s1 83820504 FBMDRULDSRBMIE-HNNXBMFYSA-N 354.479 3.834 0 40 FHAB COc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc4ccccc4c3)n2)cc1 72427564 AYLAJGVFXQMDIT-UHFFFAOYSA-N 371.396 3.647 0 40 FHAB CC(=O)Nc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nn2C)c1 72404714 UMMMASCGTOEFBP-UHFFFAOYSA-N 368.824 3.951 0 40 FHAB O=C(c1ccccc1O)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3 95349023 LWXZULGBALRRGV-UHFFFAOYSA-N 365.429 3.631 0 40 FHAB CSc1ccccc1NC(=O)CN(C)Cc1cccc(-n2cccn2)c1 95453898 PBELJJMNHPBYEW-UHFFFAOYSA-N 366.490 3.665 0 40 FHAB CN(C)CCN(Cc1cccs1)C(=O)c1ncoc1-c1cccs1 75108236 RMUVWIAVYBVFML-UHFFFAOYSA-N 361.492 3.669 0 40 FHAB CO[C@@H](C(=O)Nc1cccc(CN2CCSCC2)c1C)c1ccccc1 61307599 HXKGXKNBGJQZBI-HXUWFJFHSA-N 370.518 3.870 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1cnn(Cc2ccccc2F)c1 28303609 GPGNWISHXJHLDN-UHFFFAOYSA-N 359.788 3.985 0 40 FHAB Cc1cc(NCc2ncc(CN(C)C)s2)cnc1N1CCCC[C@@H]1C 508624059 COIGKRGXQYKSEN-HNNXBMFYSA-N 359.543 3.899 0 40 FHAB Cc1ccc(CSCCNC(=O)[C@H](C)NC(=O)Nc2ccccc2)cc1 32736752 OYRJPEBCVBZNIR-INIZCTEOSA-N 371.506 3.555 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)C(=O)Nc1cccc2c(O)cccc12 40285186 SPSCRWHCPDMJDN-OAHLLOKOSA-N 362.429 3.621 0 40 FHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc(F)cc1 222784751 YYAOGVXDQGJUCO-KRWDZBQOSA-N 359.397 3.632 0 40 FHAB CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224951719 PXMBOEIQRJEXCX-UHFFFAOYSA-N 355.843 3.572 0 40 FHAB CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 44946737 LZSMAINYCFHNAA-INIZCTEOSA-N 374.506 3.580 0 40 FHAB CCOC(=O)c1ccc(NC(=S)NCCSC(C)(C)C)c(C)c1 225351838 MPFFKCUOFPAFGS-UHFFFAOYSA-N 354.541 3.990 0 40 FHAB CN(C)CCn1ccc(C(=O)N2CCC[C@@H]2c2cccc3ccccc23)n1 569116710 MKCZPGHFPQVINV-OAQYLSRUSA-N 362.477 3.575 0 40 FHAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225207407 LIECSUCNHJUCJN-GOSISDBHSA-N 366.505 3.906 0 40 FHAB Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1S(C)(=O)=O 48345711 LVHJTHYYUHRKAO-OAHLLOKOSA-N 371.502 3.768 0 40 FHAB CNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCCCC2)n1 225879935 CCJDUZYNHQBVHE-UHFFFAOYSA-N 357.483 3.566 0 40 FHAB O=C1C[C@@H](c2ccncc2)c2c(c(C(=O)O)cn2-c2ccccc2Cl)N1 49548683 KFTUXCDFODJILI-LBPRGKRZSA-N 367.792 3.698 0 40 FHAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccs2)N1Cc1ccccn1 223521282 XMDBOCQBGPYPHK-DLBZAZTESA-N 352.488 3.711 0 40 FHAB COc1cccc(-c2noc(CN(C)C(=S)Nc3ccc(C)cc3)n2)c1 225456173 QEYMNUZOEXXYLN-UHFFFAOYSA-N 368.462 3.882 0 40 FHAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 222864473 SPNVKPHVBFSUCO-INIZCTEOSA-N 370.468 3.700 0 40 FHAB CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F 222750919 FWNDMGZNRJXIRD-QZTJIDSGSA-N 352.438 3.614 0 40 FHAB O=C(Nc1cccnc1)[C@H]1C[C@]12CCN(C(=O)Nc1ccc(Cl)cc1)C2 96226847 ZBKYFJLLRAAIBF-APWZRJJASA-N 370.840 3.618 0 40 FHAB Cc1ccc(CN2CCC[C@]3(C[C@@H](OCc4cccnc4)CO3)C2)s1 96107277 NGDDBTSICRPLHN-QUCCMNQESA-N 358.507 3.792 0 40 FHAB Cc1ccc(CN2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)o1 248100143 NRNMFJVMMBDKMM-SFTDATJTSA-N 356.466 3.571 0 40 FHAB O=C(c1cnc2ccccc2c1)N1CCC[C@H](c2cccc3nccn23)C1 257327908 XDHSIHSBOXIUGO-KRWDZBQOSA-N 356.429 3.902 0 40 FHAB C=CC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)[C@H](O)CCCC3)c1 1165719117 XGFUXTWEJFQLIW-LJQANCHMSA-N 350.418 3.823 0 40 FHAB Cc1n[nH]cc1C1CCN(C(=O)[C@@H]2CCOc3ccc(Cl)cc32)CC1 606442547 YIIZTCOFAUCDBC-OAHLLOKOSA-N 359.857 3.644 0 40 FHAB C[C@H](Oc1ccc2ccccc2c1)c1nnc(CN(C)C(=O)C2CC2)o1 1776002415 FUNDKIRJKCSQDS-ZDUSSCGKSA-N 351.406 3.731 0 40 FHAB CCc1noc([C@@H]2CC[C@@H](NC(=O)N3CCc4c(Cl)cccc43)C2)n1 1685475461 UUNJFICGERJSFU-VXGBXAGGSA-N 360.845 3.694 0 40 FHAB CSc1ccc([C@H](O)CNC(=O)c2ccc(Br)cc2)cc1 96361574 KTTNEEOKDVJWDK-OAHLLOKOSA-N 366.280 3.634 0 40 FHAB Fc1cccc(OCCN2CCOCC2)c1Oc1ccc(Cl)cc1 585266239 SLUZYZVMUJVWCK-UHFFFAOYSA-N 351.805 3.982 0 40 FHAB Cc1nc(S[C@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)oc1C 55238240 DNJFXKFKBAWUKJ-GFCCVEGCSA-N 359.451 3.536 0 40 FHAB CCSc1nnc(CNC(=O)c2ccccc2-c2ccccc2)n1C 5001699 RIHQWFRLDJFGCO-UHFFFAOYSA-N 352.463 3.524 0 40 FHAB Cc1nc(C)n(C[C@@H](C)C(=O)Nc2ccc(-c3cccc(F)c3)cc2)n1 19285952 WIOWNDNAWISJOS-CYBMUJFWSA-N 352.413 3.976 0 40 FHAB CCOc1ccc(NC(=O)[C@H]([C@H](C)N2CCCCC2)N2CCCCC2)cc1 19366270 JFEFUMYXQVSUMX-RXVVDRJESA-N 373.541 3.753 0 40 FHAB CCCn1ncc(C(=O)N2CCC[C@H](c3cc4cc(C)cnc4[nH]3)C2)c1C 19525871 QTEVVZTYOMFISN-INIZCTEOSA-N 365.481 3.806 0 40 FHAB CCN(CC)C(=O)CN1CCC[C@H](c2ccc(Cc3ccccc3)cn2)C1 19687296 XIXLQAHMGHFNLG-NRFANRHFSA-N 365.521 3.720 0 40 FHAB Cc1[nH]c2ccc(-c3nnc(SCC(=O)N4CCCC4)o3)cc2c1C 1223282 FPWREJUPNDRLDZ-UHFFFAOYSA-N 356.451 3.549 0 40 FHAB Cc1ccc(-c2nnn3c2nc(NC[C@@H]2CCCO2)c2ccccc23)cc1 2694150 UWJBEYLXFITAGA-INIZCTEOSA-N 359.433 3.844 0 40 FHAB CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)ccc2C)cc1 4264002 LRBVVGOIPHRQRY-UHFFFAOYSA-N 374.506 3.976 0 40 FHAB CCCCc1ccc(NC(=O)CSc2nc(=O)[nH]c3c2CCCC3)cc1 4316929 JUDYTJIVMYXLDV-UHFFFAOYSA-N 371.506 3.722 0 40 FHAB CC(C)c1ccc(-n2nnc(-c3nc(-c4cccs4)no3)c2N)cc1 6868313 OMTKPXGQGPNNCV-UHFFFAOYSA-N 352.423 3.751 0 40 FHAB O=C(NC[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccccc1Cl 9039945 RFRWHJGHCLQAQN-GFCCVEGCSA-N 361.804 3.654 0 40 FHAB Cc1nc2cc(NC(=O)CCCS(=O)(=O)c3ccccc3)ccc2s1 10218265 LARMEYCVFYZLQW-UHFFFAOYSA-N 374.487 3.797 0 40 FHAB CCn1c(=O)c(C(=O)Nc2cc(Cl)ccc2C)c(O)c2ccccc21 12414639 UVTSJUJMTKKIPZ-UHFFFAOYSA-N 356.809 3.941 0 40 FHAB Cn1c(=O)c2sccc2n2c(SCc3ccc(Cl)cc3)nnc12 35529193 XDZOUKVMBAVOMU-UHFFFAOYSA-N 362.867 3.588 0 40 FHAB CC(C)[C@H](NC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccccc1 40131621 RQVJTFXVXDYIEC-LPHOPBHVSA-N 372.900 3.860 0 40 FHAB Cc1cc(C)cc(NCCC(=O)NC[C@H](C)N2CCc3ccccc32)c1 40152810 CXJWSZNPZXYCGQ-SFHVURJKSA-N 351.494 3.673 0 40 FHAB Cn1c(SCCOc2ccccc2Cl)nc2sccc2c1=O 36788335 JAZYMJNKQRTMBI-UHFFFAOYSA-N 352.868 3.820 0 40 FHAB Cc1nnc(SCC(=O)Nc2ccc(Br)cc2C)s1 2585147 ZDDQTUJAIVKROD-UHFFFAOYSA-N 358.286 3.648 0 40 FHAB O=C(Nc1cccc(F)c1)[C@H]1CC(O)=Nc2cc(-c3ccccc3)nn21 20719056 JSQYNOCXMKURQZ-MRXNPFEDSA-N 350.353 3.861 0 40 FHAB Cc1cc(F)ccc1NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 3337152 MQXUAUCMHYLPAE-UHFFFAOYSA-N 354.303 3.521 0 40 FHAB CCOc1ccccc1N1C[C@H](C(=O)Nc2cc(C)cc(C)c2)CC1=O 3565959 BUEIPAAENIWUDR-MRXNPFEDSA-N 352.434 3.694 0 40 FHAB Cn1c([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21 4225244 OLEPUJSHSFZSBR-GFCCVEGCSA-N 370.250 3.856 0 40 FHAB COc1c2c(nc3occc13)[C@@](CC=C(C)C)(OC)[C@@H](OC(C)=O)CC2 4540722 OXMDOZHTPUDSEE-JXFKEZNVSA-N 359.422 3.912 0 40 FHAB biogenic O=C(NCCc1ccc2c(c1)OCO2)c1ccccc1Cc1ccccc1 32741193 SQYXJQJRVOCXAN-UHFFFAOYSA-N 359.425 3.979 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 2662206 LPSZYAIWWGXNAD-YOEHRIQHSA-N 370.522 3.932 0 40 FHAB COCCCNC(=O)c1ccccc1NC(=O)Nc1cccc(Cl)c1 10472593 VTINUAQISPBFNC-UHFFFAOYSA-N 361.829 3.750 0 40 FHAB CCOc1cc(CNC[C@@H](C)O)cc(Cl)c1OCc1ccc(F)cc1 8254005 QTHRDOIHIKAEOC-CYBMUJFWSA-N 367.848 3.927 0 40 FHAB COc1ccc(/C=C/C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 8349282 DFVCESOGRNASLV-MSXUNZPYSA-N 362.433 3.509 0 40 FHAB CC(C)CC(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 46919121 DCYPTZWJCZCUDN-OAHLLOKOSA-N 356.388 3.531 0 40 FHAB CC(C)NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 901489 OCEFMIHMWMQUDI-UHFFFAOYSA-N 361.414 3.841 0 40 FHAB CCc1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)NC(=O)CS3)cc1 8392429 SGPUWQUABQWXKF-LBPRGKRZSA-N 355.463 3.732 0 40 FHAB c1ccc2c(c1)n(CCN1CCCC1)c1nc(-c3ccc4c(c3)OCO4)cn21 1274972 MSOROTLAGHATLP-UHFFFAOYSA-N 374.444 3.781 0 40 FHAB O=c1c2ccccc2nc(SCC[S@](=O)c2ccccc2)n1C1CC1 47222234 IGMKBQSHJKXPBX-RUZDIDTESA-N 370.499 3.631 0 40 FHAB CSCC[C@@H](CO)NC(=O)c1sc(-c2ccc(Cl)cc2)nc1C 12408247 KULVJIUDVPJLCO-ZDUSSCGKSA-N 370.927 3.616 0 40 FHAB Cc1noc(-c2ccc(C(=O)Nc3ccnn3Cc3ccccc3)cc2)n1 43110916 QBKWEVBCFSONAE-UHFFFAOYSA-N 359.389 3.542 0 40 FHAB Nc1nc2c(s1)[C@@H](c1ccc(OCc3cccc(F)c3)cc1)CC(=O)N2 12428768 HFVYGGHXDTVNHS-OAHLLOKOSA-N 369.421 3.918 0 40 FHAB COc1ccc([C@H]2NC(=O)c3c(sc4c3CC[C@H](C)C4)N2)cc1OC 17083548 IWSKSOYUKYKOHA-BTDLBPIBSA-N 358.463 3.744 0 40 FHAB CN(C)CCOc1ccccc1C(=O)N[C@@H]1CCc2cc(Cl)ccc21 55739644 RHXLVMGGCDZVAD-GOSISDBHSA-N 358.869 3.698 0 40 FHAB O=C1C[C@H](c2ccccc2Cl)c2c(nc(-c3ccccc3)[nH]c2=O)N1 17045722 FOVNHZIDQBAYSR-CYBMUJFWSA-N 351.793 3.564 0 40 FHAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccc(Cl)cn3)c12 26089452 CTRWHQMFBJJVJR-UHFFFAOYSA-N 367.796 3.837 0 40 FHAB COc1ccc(OC)c(NC(=O)Nc2ccc(-n3ccc(C)n3)cc2)c1 28219798 XDURFQVEUVFETD-UHFFFAOYSA-N 352.394 3.842 0 40 FHAB COCC(=O)Nc1ccc(NC(=O)N(C)Cc2cccc(Cl)c2)cc1 44123513 OMFNZMDJQQBTIY-UHFFFAOYSA-N 361.829 3.589 0 40 FHAB CCCO[C@H]1CCCN(CC(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)CC1 108395486 SMDOXWDQLVZCSI-RBBKRZOGSA-N 374.525 3.544 0 40 FHAB O=C(N[C@@H](Cc1ncc[nH]1)c1ccccc1)c1cccc(-n2cccc2)c1 12538762 UJRLPKRLZBPEDZ-FQEVSTJZSA-N 356.429 3.914 0 40 FHAB COc1ccc(Br)cc1CN(C)Cn1cnc2ccccc21 58163254 YBBXUJMNHNEPSA-UHFFFAOYSA-N 360.255 3.897 0 40 FHAB CC(C)[C@H](Sc1nnc(-c2ccc(OC(F)F)cc2)o1)C(=O)N(C)C 58192228 SXRMQQOQQLJMAJ-LBPRGKRZSA-N 371.409 3.543 0 40 FHAB CCOC1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 58181173 NRZHETVNSJVVAM-HZPDHXFCSA-N 352.272 3.580 0 40 FHAB CC[C@@H](C(=O)OCc1nc(-c2ccc3c(c2)OCO3)no1)c1ccccc1 44836653 FOWGKFIUAVGIGX-OAHLLOKOSA-N 366.373 3.702 0 40 FHAB CC(=O)NCC1CCN(C(=O)c2sccc2-c2ccc(F)cc2)CC1 58210630 LKYUQDVPSUACFI-UHFFFAOYSA-N 360.454 3.543 0 40 FHAB COc1ccc(OC)c(/C=C/C(=O)OCC(=O)c2cccc(Cl)c2)c1 3228431 QWMIQTNKOGXKRR-RMKNXTFCSA-N 360.793 3.797 0 40 FHAB CC[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1ccccc1 23019566 UZXVPNAGPSETFS-FUHWJXTLSA-N 370.518 3.910 0 40 FHAB Cc1cccc(CNC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c1 44977368 PWQOENDLTZEIJM-HXUWFJFHSA-N 364.489 3.780 0 40 FHAB COc1cccc(-c2nn3c(COc4ccc(C)cc4)nnc3s2)c1 10311969 JTMWEAXFTYZDLG-UHFFFAOYSA-N 352.419 3.749 0 40 FHAB CCCCNC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 2295044 DXCBSEBRXJOXTP-UHFFFAOYSA-N 359.433 3.686 0 40 FHAB COc1ccc(NC(=O)[C@@H](Nc2ccn(C)n2)c2ccccc2)cc1Cl 10752035 JOBFECMFJFKEEZ-SFHVURJKSA-N 370.840 3.874 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccn2)N1Cc1ccccc1 2351503 MRENTBLOCLVOKT-FQEVSTJZSA-N 368.392 3.933 0 40 FHAB CCN(CC)CCN(CC(C)C)C(=O)c1cc(C2CC2)nc2onc(C)c12 59118150 ZXVDWEBOLWQCEU-UHFFFAOYSA-N 372.513 3.849 0 40 FHAB Cc1cccc(OCCCC(=O)NCC(=O)Nc2cccc(C)c2C)c1 3363231 RNJMZRNVCGCCGO-UHFFFAOYSA-N 354.450 3.526 0 40 FHAB CC(C)(C)c1ccc(C(=O)CCC(=O)Nc2ccc(C(N)=O)cc2)cc1 3358072 YMNHCBMYQZELGH-UHFFFAOYSA-N 352.434 3.685 0 40 FHAB Cc1cc2nnc(SCc3ccc(F)c(Br)c3)n2c(C)n1 48374115 RRPKTCAADCDKBA-UHFFFAOYSA-N 367.247 3.935 0 40 FHAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1nc2ccccc2s1 3448427 HBNHAHYEBABHIS-UHFFFAOYSA-N 359.838 3.708 0 40 FHAB O=C(Nc1ccc(-n2cnnn2)cc1)C1c2ccccc2Oc2ccccc21 3417642 NTWGWJYEPIVNMN-UHFFFAOYSA-N 369.384 3.539 0 40 FHAB CCN(CC)[C@@H](CNC(=O)[C@@H]1Cc2ccccc2S1)c1ccccc1 13011228 CSNPDIOFWORERT-ICSRJNTNSA-N 354.519 3.903 0 40 FHAB CC[C@@H](O)CNc1nc(-n2nc(C)cc2C)nc2sc3c(c12)CCCC3 4295299 PZXPANFBNIFWHE-CYBMUJFWSA-N 371.510 3.555 0 40 FHAB COc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)C(C)C)cc1 9282097 LPGPJBGISDXAPL-UHFFFAOYSA-N 364.445 3.896 0 40 FHAB CCOc1ccccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1OC 39585064 DBTXZFXJOUSWCX-UHFFFAOYSA-N 363.797 3.543 0 40 FHAB CCOc1ccccc1NS(=O)(=O)c1ccc(Br)c(C)c1 5127005 SPKPNFNJLMBGST-UHFFFAOYSA-N 370.268 3.957 0 40 FHAB C[C@@H]1Sc2ccc(C(=O)O[C@H](C)C(=O)c3ccc(F)cc3)cc2NC1=O 8716346 MOYFPTGKNYPHHC-MNOVXSKESA-N 373.405 3.687 0 40 FHAB Cc1cccc(C)c1-n1nnnc1SCc1ccc(O)c2ncccc12 8735551 WNSDGLMCWSQBQN-UHFFFAOYSA-N 363.446 3.825 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(Br)c2)cc1 24755582 QMKLEEBFTFOSDZ-UHFFFAOYSA-N 368.252 3.761 0 40 FHAB CN(Cc1ccc(Cl)cc1)Cn1nc(-c2ccncc2)n(C)c1=S 14167446 JKGRSXORMGIBFZ-UHFFFAOYSA-N 359.886 3.756 0 40 FHAB O=C(CSc1nncn1Cc1ccco1)Nc1cccc2ccccc12 14197821 PPULEYADUCAUAA-UHFFFAOYSA-N 364.430 3.803 0 40 FHAB C[C@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccc(F)c(F)c1 29764908 IJVLAAYAVSTIOC-ZDUSSCGKSA-N 358.388 3.578 0 40 FHAB CCCOc1ccc(NC(=O)C[C@@H](C)CC(=O)NCc2ccccn2)cc1 4676066 ZGFKFVPLAKBCFG-INIZCTEOSA-N 369.465 3.542 0 40 FHAB Cc1ccc(Cc2cnc(NC(=O)CNCc3ccccc3)s2)cc1 4750099 OGVKYSPNAWPLPE-UHFFFAOYSA-N 351.475 3.771 0 40 FHAB Cc1ccc(CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1 5634614 YRSNMFYQOIEQRA-UHFFFAOYSA-N 362.520 3.857 0 40 FHAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(Oc2ccc(Cl)cc2)c1 5782697 YBBDYDKOFSBZCB-KRWDZBQOSA-N 372.808 3.933 0 40 FHAB Cc1ccccc1C(=O)NCCC(=O)N[C@H](C)c1cc2ccccc2o1 7116494 WABHLSCOTLPVHU-OAHLLOKOSA-N 350.418 3.739 0 40 FHAB COc1ccc(-c2n[nH]cc2[C@H]2CC(O)=Nc3c2cnn3C(C)C)cc1 71283278 PRRWTYDLIHRCGF-CQSZACIVSA-N 351.410 3.986 0 40 FHAB Cc1cc(OCC(=O)OCc2nc(-c3cccs3)no2)ccc1Cl 7699134 LCNGZDQZFIJUOI-UHFFFAOYSA-N 364.810 3.882 0 40 FHAB CC[C@H](C)[C@@H](C(=O)NCc1cccc(F)c1)N1Cc2ccccc2C1=O 71335663 SXSJTFUUNYQOKI-LIRRHRJNSA-N 354.425 3.513 0 40 FHAB CCOc1ccccc1C(=O)N[C@H](C(=O)OCc1ccccc1F)C(C)C 8122286 WXNIGUUMDVIMPW-IBGZPJMESA-N 373.424 3.722 0 40 FHAB O=C(NC1CCCCC1)c1ccccc1NS(=O)(=O)Cc1ccccc1 9356470 ATDRQPZVKYSRPS-UHFFFAOYSA-N 372.490 3.691 0 40 FHAB COc1ccc(-c2oncc2-c2cc(OC)c3c(c2OC)OCO3)cc1 96336883 BSHVNHYNUWOIPC-UHFFFAOYSA-N 355.346 3.763 0 40 FHAB O=C(NCCOc1ccccc1F)c1cc(C2CC2)nn1-c1ccccc1 9547792 OGYJFDDFQMULIQ-UHFFFAOYSA-N 365.408 3.698 0 40 FHAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCN(C)CC2)cc1 9882365 RIYWHUBEMOYTCO-UHFFFAOYSA-N 374.488 3.672 0 40 FHAB COc1ccc(N(C)C(=O)c2cccc(NC(=O)C3CCCCC3)c2)cn1 83869501 GCKLTBOKXXBJAA-UHFFFAOYSA-N 367.449 3.886 0 40 FHAB Cc1ccsc1C(=O)/N=c1\[nH]c2ccccc2n1CCN1CCCCC1 28305483 ZMGOHFQBPYNZKI-UHFFFAOYSA-N 368.506 3.566 0 40 FHAB CC(C)[C@H]1CN([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CCS1 72304984 KKEYQULHXLGGRT-GRDNDAEWSA-N 354.947 3.979 0 40 FHAB Cn1ccnc1C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2F)cc1 95347420 YXCOMHZZHYXUPC-IAGOWNOFSA-N 363.392 3.532 0 40 FHAB Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc(-c3nc[nH]n3)cc2)c1 95956522 QRYUMQRABZFBSP-LBPRGKRZSA-N 356.813 3.840 0 40 FHAB CN(C(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(Cl)cn1 95961189 HHRCXMPHDKIVCZ-GXTWGEPZSA-N 367.877 3.781 0 40 FHAB O=c1cc(CN2CCC[C@@H]2c2ccc(F)cc2)nc2ccc(Cl)cn12 25445305 XJFJGEDPKPRCLW-QGZVFWFLSA-N 357.816 3.824 0 40 FHAB CCOC(=O)COc1ccc(-c2nc(O)c3c(C)c(C)sc3n2)cc1 408734821 KIZYDBGRJBKSGJ-UHFFFAOYSA-N 358.419 3.623 0 40 FHAB CCn1c([C@H]2CCCN2C(=O)CCOCC(F)(F)F)nc2ccccc21 60353084 QBFZJWKUJKXPDJ-OAHLLOKOSA-N 369.387 3.689 0 40 FHAB COc1ccc(OC)c(/C=C2\S[C](Nc3ccccc3F)NC2=O)c1 408811654 LSYJQMAYUSHAMJ-UHFFFAOYSA-N 359.402 3.606 0 40 FHAB C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)c1c(C(F)F)nc2cnccn12 1540143829 XCYQZPHQZHVTMN-SECBINFHSA-N 362.767 3.912 0 40 FHAB Cc1cccc(OCC(=O)NCCCn2ncc3c(Cl)cccc32)c1 71196068 LGOLMWUKBVNSBK-UHFFFAOYSA-N 357.841 3.583 0 40 FHAB Cc1nc(-c2cccnc2)sc1C(=O)NC1CC(C)(C)NC(C)(C)C1 31868014 OVZLEVZPJVUSNA-UHFFFAOYSA-N 358.511 3.553 0 40 FHAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCCc1ccc(OC)c(OC)c1 219317033 RNQKJCNRXKEEAC-IBGZPJMESA-N 371.477 3.919 0 40 FHAB COc1ccc(C(=O)C2CCN(Cc3ccsc3C(=O)O)CC2)cc1 519706358 QNCIKKFIVFRVOT-UHFFFAOYSA-N 359.447 3.550 0 40 FHAB Cc1ccc(NC(=O)C[C@@H]2C(=O)N(C3CC3)c3nc4ccccc4n32)cc1C 39964128 ZGKVYODUWKNADR-LJQANCHMSA-N 374.444 3.732 0 40 FHAB COc1ccccc1[C@@H]1CC(=O)N(c2ccccc2)c2c1sc(=O)n2C 49546073 NIMYTWNWDWLFTK-HNNXBMFYSA-N 366.442 3.656 0 40 FHAB COc1cc(C)c(S(=O)(=O)NCCSC(C)(C)C)cc1C(C)C 222586989 ZWMAHTKUUAJLHA-UHFFFAOYSA-N 359.557 3.937 0 40 FHAB Cc1cc(C)c(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)c(C)c1 226860825 CNQVODXGPHGDKD-UHFFFAOYSA-N 353.827 3.764 0 40 FHAB O=C(NCc1cccn1-c1ccccc1)c1ccc2[nH]c(Cl)nc2c1 225984539 ASIKLLUELSDXRK-UHFFFAOYSA-N 350.809 3.937 0 40 FHAB CCOc1ccc(Cl)cc1S(=O)(=O)N(C)Cc1ccccc1F 223002865 RLAOYWDMFXHEEK-UHFFFAOYSA-N 357.834 3.699 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1 224873838 IEQIVLPOBFEJMD-KRWDZBQOSA-N 370.468 3.620 0 40 FHAB CCCC[C@@H](CC)CNS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 225120084 CMCPVWSNHHMWRE-GFCCVEGCSA-N 361.891 3.621 0 40 FHAB CC(C)N(Cc1ccc(C(=O)O)o1)C(=O)c1ccc2oc(Cl)nc2c1 225980389 VHVVLOCJOKXGRB-UHFFFAOYSA-N 362.769 3.823 0 40 FHAB Cc1ccc(C(=O)N2CCOC[C@@H]2c2csc(-c3ccccc3)n2)o1 96217381 PIGZUCZIZHVJGN-MRXNPFEDSA-N 354.431 3.925 0 40 FHAB C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC1CCCCC1 149368848 XRBLBGRGXIBVQX-QGZVFWFLSA-N 364.489 3.772 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)Cc1c(C)noc1C 96231788 ZJQRXHSDWWPVKV-SFHVURJKSA-N 353.422 3.518 0 40 FHAB CC(C)n1nccc1-c1cc(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)ncn1 257325137 WRQSBZRULVIPIQ-INIZCTEOSA-N 369.513 3.748 0 40 FHAB CCOCC[C@H]1CCOC2(C1)CN(C(=O)c1ccc(F)c(Cl)c1)C2 253381423 DTOQQYSWKWQIHV-ZDUSSCGKSA-N 355.837 3.527 0 40 FHAB Cc1cnc(C(=O)N2CCC[C@H](Cc3ccc4cnccc4c3)CC2)cn1 257281101 ONPPGEODBWOGIE-KRWDZBQOSA-N 360.461 3.818 0 40 FHAB Fc1ccc(-c2cnc3nccc([C@H]4CCN(c5ccccn5)C4)n23)cc1 257313333 URXRMLBNMOFDIS-INIZCTEOSA-N 359.408 3.924 0 40 FHAB Cn1cc(-c2cccs2)nc1CCNC(=O)c1c(F)cccc1Cl 85471217 JKIPJQIREUNOTE-UHFFFAOYSA-N 363.845 3.914 0 40 FHAB CN(CCCC(c1ccccc1)c1ccccc1)C(=O)[C@H]1CCC(=O)O1 68605974 OSSJSEVBOMLNFO-HXUWFJFHSA-N 351.446 3.763 0 40 FHAB biogenic CCn1cnnc1[C@@H]1CCCN(C(=O)Nc2ccccc2CCSC)C1 603079646 TXIXOIXDAPYERS-MRXNPFEDSA-N 373.526 3.615 0 40 FHAB CCOc1ccc([C@H](COC)NC(=O)N2C[C@H](C)C(F)(F)[C@H](C)C2)cc1 585123256 MTBBCVYYHADJKP-VBQJREDUSA-N 370.440 3.706 0 40 FHAB CC[C@H](C)Oc1cccc(NC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)c1 57070673 DQCHNDAYFNTVQM-LSDHHAIUSA-N 368.433 3.617 0 40 FHAB COc1cccc([C@H](CNC(=O)c2oc3ccc(F)cc3c2C)N(C)C)c1 52839160 YOPFTNDXYJRWJX-SFHVURJKSA-N 370.424 3.922 0 40 FHAB CC(C)N1CCC(O)(CN[C@@H](C)c2ccc(SC(F)F)cc2)CC1 97228523 UIVKJFCRHWEHIB-AWEZNQCLSA-N 358.498 3.887 0 40 FHAB O=C(Nc1c(O)n[nH]c1-c1ccccc1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 1636373068 WRNGBJJTIXODAK-NWDGAFQWSA-N 373.334 3.942 0 40 FHAB COc1cc(OC)c(NS(=O)(=O)c2ccccc2Cl)cc1Cl 5120997 CSYBXLIJIVVPGZ-UHFFFAOYSA-N 362.234 3.811 0 40 FHAB C[C@@H](NC(=O)Cc1ccc2c(c1)OCCO2)C12CC3CC(CC(C3)C1)C2 5443845 JDWMRIKWMPBCHB-YMXMSLLWSA-N 355.478 3.721 0 40 FHAB COC(=O)c1ccccc1[C@H]1CN=N[C@@]12Cc1c(ccc3c1CCC3)C2=O 5537985 BEVZCKSDDOQXIV-KNQAVFIVSA-N 360.413 3.689 0 40 FHAB COc1cccc(C(=O)O[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)c1OC 11131854 ZLBMCVNOAXQWHR-ZDUSSCGKSA-N 367.401 3.922 0 40 FHAB COc1ccc(NCc2cc3ccc(SC)cc3[nH]c2=O)c(OC)c1 12144315 CBQXQTVJYYTTBW-UHFFFAOYSA-N 356.447 3.879 0 40 FHAB Cc1c(C(=O)NC2(c3ccccc3)CCCC2)sc2ncn(C)c(=O)c12 12197431 SMUQVZPRSIEVJM-UHFFFAOYSA-N 367.474 3.503 0 40 FHAB CC(C)C[C@@H](NC(=O)Cc1ccccc1F)c1nc2cccnc2n1C 12220140 AQLRALOVOFGFIJ-QGZVFWFLSA-N 354.429 3.554 0 40 FHAB Cc1nccc(-c2ccc(-c3noc(CN4C[C@@H](C)C[C@H](C)C4)n3)cc2)n1 12337098 JZXQZQOVXPWKTO-GJZGRUSLSA-N 363.465 3.980 0 40 FHAB Cc1cc(NC(=O)CN(C)Cc2ccccc2Cl)n(-c2ccccc2)n1 12935198 ZUCRDZIOACGCPH-UHFFFAOYSA-N 368.868 3.905 0 40 FHAB CC(C)OCCCNc1ncc(-c2ccccc2F)c(-c2nccn2C)n1 19450429 LXMXVTXQJIMVBL-UHFFFAOYSA-N 369.444 3.910 0 40 FHAB CC(=O)N1CCC[C@@H](c2[nH]c3cccnc3c2CN2C[C@@H](C)C[C@@H](C)C2)C1 19462591 NQPZJKOBDPBIBW-SOLBZPMBSA-N 368.525 3.767 0 40 FHAB COC1CCC(C(=O)N2[C@H]3CC[C@H](C3)[C@@H]2COc2ccc(F)cc2)CC1 19592559 POGHJNLVWXXZDE-RARIUJFKSA-N 361.457 3.789 0 40 FHAB O=C(O)[C@@H](Sc1nccc(-c2ccc3c(c2)OCO3)n1)c1ccccc1 19074808 AZCWHYGADRJJRW-KRWDZBQOSA-N 366.398 3.790 0 40 FHAB O=C1CC[C@@]2(C(=O)N3CCCc4ccccc43)Sc3ccccc3N12 14700676 HVIMQVWMNXXHNA-FQEVSTJZSA-N 350.443 3.595 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(N[C@@H](C)CCc2ccccc2)nc1 25784558 KLPNCQQRXPFZEH-INIZCTEOSA-N 361.511 3.545 0 40 FHAB COc1ccc(OC)c(CNCc2c(C)nn(Cc3ccccc3)c2C)c1 25069793 RLFNQCGWMGSPQM-UHFFFAOYSA-N 365.477 3.855 0 40 FHAB O=C(NCc1cccnc1-c1cccnc1)c1cc(-c2cccs2)n[nH]1 238868101 MFXAVUYKPNEDNH-UHFFFAOYSA-N 361.430 3.525 0 40 FHAB O=C(NC[C@](O)(c1ccsc1)c1cccs1)Nc1cccs1 238820603 COFAWWGLUAOOQV-HNNXBMFYSA-N 350.490 3.929 0 40 FHAB O=C(NCC[C@H]1CC[C@@H](C(F)(F)F)O1)c1cc(Br)cs1 1133340079 PGRGXDFHMVKKSQ-SCZZXKLOSA-N 372.206 3.740 0 40 FHAB CCCC(=O)Nc1sc(C(=O)NC2CCCC2)c(C)c1C(=O)OCC 815741 SGSJHDFVCZXOQU-UHFFFAOYSA-N 366.483 3.644 0 40 FHAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)cc1 9137791 XRSGXOJSQRZCBH-UHFFFAOYSA-N 366.461 3.948 0 40 FHAB O=C(NCCOc1ccc(-c2ccco2)nn1)c1ccc2ccccc2c1 9853240 AXZFYPVIQAIBGS-UHFFFAOYSA-N 359.385 3.699 0 40 FHAB CCOC(=O)Nc1nc(CC(=O)Nc2ccc(C)c(Cl)c2)cs1 12440504 XEVLYGXROPVKFD-UHFFFAOYSA-N 353.831 3.855 0 40 FHAB COc1ccc(Cl)cc1C(=O)N1CC(n2c(C)nc3ccccc32)C1 1775974390 PUDNKYVJWQOLDZ-UHFFFAOYSA-N 355.825 3.704 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)NCc1cncc(-c2ccsc2)c1 206949840 IHBILNCHPTURGK-UHFFFAOYSA-N 362.451 3.736 0 40 FHAB Cc1cc(C)n([C@H](CNC(=O)NCc2ccc(F)cc2)c2ccsc2)n1 575612605 BJBUHRGKAGBGEG-GOSISDBHSA-N 372.469 3.789 0 40 FHAB O=C(Cc1ccc(Br)cc1)NCc1cncc(-c2ccco2)c1 575619537 VMQRTHDGSCEGJS-UHFFFAOYSA-N 371.234 3.963 0 40 FHAB CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3cc(F)ccc3F)oc2c1 1507928 SEPIURCGZNNGTR-GFMRDNFCSA-N 371.387 3.889 0 40 FHAB CC(=O)Oc1cccc2cc(-c3nc(-c4ccccc4F)no3)c(=O)oc12 9431172 HCHHPLOEYXHOAG-UHFFFAOYSA-N 366.304 3.574 0 40 FHAB O=C(NC[C@@](O)(c1cccs1)C1CC1)c1ccccc1C(F)(F)F 75155314 FOBZGDFUEQIZPF-INIZCTEOSA-N 355.381 3.795 0 40 FHAB O=C(c1ccc(Br)s1)N1CCO[C@H](c2ccc(F)cc2)C1 29113016 AOLHBGUWAUTCPY-LBPRGKRZSA-N 370.243 3.863 0 40 FHAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1nc2ccc(F)cc2s1 11807571 RHGQZRFZZXXGSZ-UHFFFAOYSA-N 353.378 3.501 0 40 FHAB O=S(=O)(Nc1ccc2c(c1)CCC2)c1ccc(Br)cc1 1472304 WGZSJEHIXZBRFK-UHFFFAOYSA-N 352.253 3.739 0 40 FHAB COC(=O)c1ccc(CNC(=O)c2ccccc2SC(F)F)cc1 32675722 GXRMOVQLJUQJGF-UHFFFAOYSA-N 351.374 3.718 0 40 FHAB COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)O[C@H]1CC[C@H](C)[C@@H](C)C1 4066624 IYZGWKKKLLAJOX-VODUFIJXSA-N 372.465 3.691 0 40 FHAB Cc1cc2cc(C)c(NCCNC(=O)COc3ccccc3)nc2cc1C 4848607 OYJKRRKOSHUVQY-UHFFFAOYSA-N 363.461 3.767 0 40 FHAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(OC(C)C)cc3)oc2c1 6345749 RTZDMHCRKYAFDY-UHFFFAOYSA-N 353.378 3.826 0 40 FHAB Cc1cccc(-c2nnc(S[C@H](C)C(N)=O)n2[C@H]2CCCC[C@@H]2C)c1 102341645 GWDOEDRZENBCCR-LZWOXQAQSA-N 358.511 3.971 0 40 FHAB Cc1ccc2c(COC(=O)CCC(=O)c3cccs3)cc(=O)oc2c1 2657532 HXBBHNYAMKHPHJ-UHFFFAOYSA-N 356.399 3.869 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 10314655 DXZWMAYUGPQFQZ-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB COc1ccc(-c2nnc(NC(=O)COc3ccc(C)c(C)c3)s2)cc1 648275 SRLSMWWVFRHXJI-UHFFFAOYSA-N 369.446 3.848 0 40 FHAB CC[C@H](C)[C@H](C(=O)NCc1cccc(F)c1)N1Cc2ccccc2C1=O 71335667 SXSJTFUUNYQOKI-IFXJQAMLSA-N 354.425 3.513 0 40 FHAB CCCn1cnc2c(NS(=O)(=O)c3ccc(OC)cc3)c(C)c(C)cc21 1388574 VSBMSVMUGYAIOU-UHFFFAOYSA-N 373.478 3.873 0 40 FHAB O=C(OCc1cc(Cl)c2c(c1)OCO2)[C@@H]1Cc2cc(Cl)ccc2O1 24978601 MDZSSFKBPWHDHD-HNNXBMFYSA-N 367.184 3.769 0 40 FHAB O=C(NCc1ccoc1)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 47831614 ISLDNLLPQJAFOZ-UHFFFAOYSA-N 369.400 3.725 0 40 FHAB CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CCOc3ccccc32)cc1 47945712 YCHJJFPGCQCGQF-MRXNPFEDSA-N 355.394 3.900 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)N1CCO[C@H](c2ccc(Cl)cc2)C1 56344223 KGBVEEMOLFCSLP-KRWDZBQOSA-N 360.797 3.674 0 40 FHAB COc1ccc(CNC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1OC 43780937 UDJALLSCSNGVLI-UHFFFAOYSA-N 371.824 3.677 0 40 FHAB CCn1c(C)cc(C(=O)NCC2(c3ccccc3OC)CCOCC2)c1C 56459872 OUMLIBONAVGEJT-UHFFFAOYSA-N 370.493 3.612 0 40 FHAB CCN(CC)Cc1ccccc1CNC(=O)N[C@H](C)Cc1ccc(O)cc1 56769060 LOOCGFRNDNSXMJ-QGZVFWFLSA-N 369.509 3.664 0 40 FHAB COc1ccc([C@@H]2CCCCCN2S(=O)(=O)N2CCCCCC2)cc1 22239942 VYQWVSMFJFYCRS-IBGZPJMESA-N 366.527 3.733 0 40 FHAB COc1ccc(-c2nnc(S[C@@H]3CCc4ccccc4NC3=O)o2)cc1 20721620 LKSHHRAEIWANDI-MRXNPFEDSA-N 367.430 3.791 0 40 FHAB C[C@@H](OC(=O)c1ccco1)C(=O)Nc1ncc(C(F)(F)F)cc1Cl 10030789 FOEMTMDTVPQENI-SSDOTTSWSA-N 362.691 3.531 0 40 FHAB COc1ccc([C@H]2CCCCCN2S(=O)(=O)N2CCCCCC2)cc1 22239943 VYQWVSMFJFYCRS-LJQANCHMSA-N 366.527 3.733 0 40 FHAB CC(C)[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)NCc1cccnc1 58193368 IIBKLRWKXFDDBV-INIZCTEOSA-N 368.462 3.565 0 40 FHAB Cc1[nH]c2ccc(C(=O)NCCc3ccc(-n4cccn4)cc3)cc2c1C 10222417 HHFUZMZKDSARQC-UHFFFAOYSA-N 358.445 3.943 0 40 FHAB Cc1nc(Cc2nc(-c3ccc4c(c3)NC(=O)CO4)c(C)s2)cs1 58201775 WQRQNMHSGLMKNY-UHFFFAOYSA-N 357.460 3.805 0 40 FHAB CC(=O)[C@H](C)Oc1cc2c(c3oc(=O)c4c(c13)CCC4)CCC(C)(C)O2 2113895 WEOIPBCCZIZMGJ-LBPRGKRZSA-N 356.418 3.742 0 40 FHAB biogenic O=C(CN1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1ccc(Cl)cc1 12750742 BDNJWDOEJWSPRJ-HNNXBMFYSA-N 371.868 3.629 0 40 FHAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1OC 12757473 JVOSJLVZLRWTFZ-KRWDZBQOSA-N 361.463 3.538 0 40 FHAB Cc1ccc(/C=C/C(=O)Nc2cccc(C(N)=O)c2)c(Br)c1 12855809 FEABQAOIHKJQQJ-BQYQJAHWSA-N 359.223 3.508 0 40 FHAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1nc2c(s1)CCC2 12862099 JVFOTQIYDJRNES-SECBINFHSA-N 367.268 3.800 0 40 FHAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(OC[C@H]2CCCO2)cc1 12904973 BLTKHHHMXQYSPD-GOSISDBHSA-N 369.417 3.658 0 40 FHAB Cc1nc2ccccc2c(=O)n1[C@@H](C)C(=O)Nc1ccc(Cl)cc1F 13009655 URJWRKWHRKIRDT-JTQLQIEISA-N 359.788 3.697 0 40 FHAB O=C(CSc1nccn2nc(-c3ccccc3)cc12)Nc1nccs1 17191867 NJKYGOZYOYNTOC-UHFFFAOYSA-N 367.459 3.584 0 40 FHAB CC(C)(C)c1nc(C(C)(C)NC(=O)c2cnc(C(C)(C)C)s2)no1 63958556 FUDGCXNRPKTGEZ-UHFFFAOYSA-N 350.488 3.786 0 40 FHAB O=C(NC[C@@H]1CCCO1)[C@H](Sc1nc2ccccc2[nH]1)c1ccccc1 39383547 LAPBUUBMQYWOJC-MAUKXSAKSA-N 367.474 3.692 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)O)c3c2)c1 5234931 REQRYHBGVXYGHI-UHFFFAOYSA-N 359.403 3.857 0 40 FHAB Cc1nc(-c2ccsc2)sc1C(=O)OCC(=O)N1CCCC[C@H]1C 14125445 WZODPALYJILGJA-LLVKDONJSA-N 364.492 3.738 0 40 FHAB C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCc2ccccc2C1 6580137 NMCHHHRDKPGPCY-ZDUSSCGKSA-N 364.367 3.971 0 40 FHAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc2ccccc2s1 6552783 WLUMDZIUKWQTPB-SFHVURJKSA-N 367.474 3.618 0 40 FHAB CC[C@H](CO)Nc1nc(SC)nc2sc3c(c12)C[C@@](C)(CC)OC3 5501448 SIHNYODPPLYJLM-BMLIUANNSA-N 367.540 3.837 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3cccs3)n2C)cc1 8748400 UDVTWOMYOPFXGV-ZDUSSCGKSA-N 372.519 3.822 0 40 FHAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)NCC1CCCCC1 6829424 YALDNWAYWVJPAA-UHFFFAOYSA-N 351.446 3.993 0 40 FHAB C[C@@H]1CN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C[C@@H](C)O1 22227947 UEVNVTKJGAJMNL-RKDXNWHRSA-N 351.661 3.695 0 40 FHAB Cc1ccc(-n2cnnc2SCC(=O)N(C)Cc2ccsc2)c(C)c1 7098028 QAMVTKSRKHGYLC-UHFFFAOYSA-N 372.519 3.696 0 40 FHAB O=C1CCCC[C@@H]1Sc1nnc(N2CCCCC2)n1-c1ccccc1 7071851 COYKZRFLSCFMCQ-KRWDZBQOSA-N 356.495 3.861 0 40 FHAB CCN(C(=O)c1cnn(-c2ccccc2)n1)c1nc2c(C)cccc2s1 7735103 NZPHGJNBETWZPA-UHFFFAOYSA-N 363.446 3.852 0 40 FHAB COc1ccc(OC)c(-c2csc(NC(=O)Cc3c(C)noc3C)n2)c1 8011402 NFTOZBGXDSIUDE-UHFFFAOYSA-N 373.434 3.613 0 40 FHAB CSc1ccnc(NC(=O)OC(C)(C)C)c1I 72190329 DWTLWQKJBLQWOY-UHFFFAOYSA-N 366.224 3.755 0 40 FHAB COc1ccccc1[C@H](NC(=O)c1cccc(Cl)c1)c1nccn1C 9319065 UQBIJASXXNLSAF-KRWDZBQOSA-N 355.825 3.602 0 40 FHAB COc1ccc(/C=C2/N=C(c3ccccc3F)OC2=O)cc1OC(F)F 96634991 CJLDLVBKESSMQA-MDWZMJQESA-N 363.291 3.780 0 40 FHAB CCCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 23873801 AAXDRTIXKHAVGI-UHFFFAOYSA-N 374.462 3.665 0 40 FHAB CCOc1ccc(NC(=O)c2ccn(Cn3nc(C)c(Cl)c3C)n2)cc1 28238082 BOIUXKXOCBSGNY-UHFFFAOYSA-N 373.844 3.507 0 40 FHAB O=C(Cn1ncc2ccccc21)N(Cc1cccs1)CC(F)(F)F 74807703 JIVPMEFJIJIREX-UHFFFAOYSA-N 353.369 3.689 0 40 FHAB CNc1nc(S[C@@H](Cc2ccccc2)C(=O)OC)nc2ccccc12 89395956 YRIPLJZNHKYNSF-INIZCTEOSA-N 353.447 3.548 0 40 FHAB Cc1ccc(-c2nn(CC(=O)Nc3cccc(C(=O)O)c3)c(=S)o2)cc1 409150710 DHKPRIVIERJPPV-UHFFFAOYSA-N 369.402 3.518 0 40 FHAB COc1cc2c(cc1CNC[C@H](c1ccco1)N1CCCCC1)O[C@@H](C)C2 25355198 XMPLALCPPFBONS-QFBILLFUSA-N 370.493 3.928 0 40 FHAB CC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCCCC1 217450316 DLRZUHZAPRYHAP-CYBMUJFWSA-N 368.499 3.596 0 40 FHAB O=C1Nc2ccccc2/C1=C1\SC(=O)N(c2cccc(Cl)c2)C1=O 210199298 AEFIBQOFRJPLLX-BUHFOSPRSA-N 356.790 3.903 0 40 FHAB Cc1nnc(Nc2cncc([C@H]3CCCN3Cc3ccccc3F)n2)s1 72376208 HJUDJUOVAOWZAN-MRXNPFEDSA-N 370.457 3.856 0 40 FHAB C[C@]1(CNC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)CCOC1 559801309 FEKJYJXQIDZZIJ-GOSISDBHSA-N 352.862 3.603 0 40 FHAB O=C(NCc1ccc(F)cc1)C1CCN(c2nc3ccccc3s2)CC1 35290295 AGAIJNBSMJYIOM-UHFFFAOYSA-N 369.465 3.968 0 40 FHAB Cc1ccc(Nc2nccc([C@@H]3CCCN(C(=O)C4CCCC4)C3)n2)nc1 72377952 LCCPQDJVYFAOGD-QGZVFWFLSA-N 365.481 3.820 0 40 FHAB CCCCc1nc(-n2cccc2)sc1C(=O)N=c1[nH]c2ccccc2[nH]1 49547761 PVQBVDZAAYECPL-UHFFFAOYSA-N 365.462 3.827 0 40 FHAB Cn1cc(NC(=O)C(C)(C)Oc2ccc([C@@H]3CC3(Cl)Cl)cc2)cn1 72402762 HNIHDSJADDMBOI-AWEZNQCLSA-N 368.264 3.877 0 40 FHAB CCCc1nnc(NC(=O)c2sc(-n3cccc3)nc2CCC)s1 49549620 URXOASMGNSDUCT-UHFFFAOYSA-N 361.496 3.943 0 40 FHAB COc1ccccc1-c1nnc([C@H]2CCN(C(=O)C3CCCCC3)C2)o1 49170941 NNAXUELKRARCPS-HNNXBMFYSA-N 355.438 3.641 0 40 FHAB biogenic,in-vitro CC(=O)c1cn(CCC(=O)Nc2nnc(CC(C)C)s2)c2ccccc12 40283004 OTSFDWLRQKYKJM-UHFFFAOYSA-N 370.478 3.923 0 40 FHAB CCSc1nnc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)s1 223822117 LJBZRUSWULQQNL-NSHDSACASA-N 363.508 3.935 0 40 FHAB Cc1ccc2c(n1)N(C)[C@H](CO)CCN(Cc1ccc(C(C)C)cc1)C2 225493568 PKBOKDGCFCYPIA-NRFANRHFSA-N 353.510 3.716 0 40 FHAB biogenic,in-vitro COc1ccc(CNC(=O)c2snnc2-c2ccc(Cl)cc2)cc1 225768967 FPEFSDKQAUOJNH-UHFFFAOYSA-N 359.838 3.797 0 40 FHAB Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(F)cc2)cc1 225312951 ZECJJAHBKDAWAG-UHFFFAOYSA-N 356.422 3.803 0 40 FHAB Cc1ccc(CNC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 225311879 YFQLVAKUBRTAFF-UHFFFAOYSA-N 353.491 3.917 0 40 FHAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@@H](COCC2CC2)C3)cc1C 96105998 ATBMDVAXYDLWQC-HXUWFJFHSA-N 357.494 3.741 0 40 FHAB Cn1cccc1C(=O)N1CCC2(CCN(Cc3cccs3)CC2)CC1 96158372 FBYRTTXOOADQQN-UHFFFAOYSA-N 357.523 3.605 0 40 FHAB Cc1ncc(S(=O)(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)s1 533176476 IDWRSGYHSXSKSD-SFHVURJKSA-N 370.499 3.788 0 40 FHAB CCOC1CC2(CCN(C(=O)[C@H]3CCCCN3Cc3cccc(C)c3)C2)C1 585082538 FVYGDKFBIXWHNU-WQMHRJNTSA-N 370.537 3.767 0 40 FHAB COC(=O)[C@H]1CCc2nnc([C@H](C)Oc3ccc4ccccc4c3)n2CC1 601043653 GUKMPBZVFSVPNB-HOCLYGCPSA-N 365.433 3.697 0 40 FHAB CC(=O)Nc1cccc(CC(=O)N2CCC[C@]2(C)Cc2ccccc2F)c1 648527299 SGSZZOXFBAEZBK-JOCHJYFZSA-N 368.452 3.950 0 40 FHAB CC(C)Sc1ccc(CC(=O)N2CCC(Oc3cnccn3)CC2)cc1 90678064 QTBXYJHUMZRRCR-UHFFFAOYSA-N 371.506 3.590 0 40 FHAB O[C@@H]1[C@@H](NCc2cccc(F)c2F)CCC[C@H]1Oc1ccc(F)cc1 585288831 AVVIDQRVCQXTTG-YQVWRLOYSA-N 351.368 3.555 0 40 FHAB COCCN1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(C)c2)CC1 585113204 CHJWYIFCLULILF-OAQYLSRUSA-N 358.526 3.657 0 40 FHAB O=C(Nc1ncn(Cc2ccccc2)n1)[C@@H]1CCCC[C@H]1C(F)(F)F 68379047 VDKKMIIBEIISAR-ZIAGYGMSSA-N 352.360 3.634 0 40 FHAB Brc1cnc(N2CCC[C@@H](c3nc4ccccc4o3)C2)nc1 67350561 YEIUWPQZUZPFLJ-LLVKDONJSA-N 359.227 3.764 0 40 FHAB CCOC(=O)[C@@H](OP(=O)(OCC(C)C)OCC(C)C)C(F)(F)F 4277124 UGGDQHPTIONWKP-LLVKDONJSA-N 364.297 3.950 0 40 FHAB COc1cccc(N2CCN(c3ncnc4c3[nH]c3cccc(C)c34)CC2)c1 5156393 RJCCYNOKYSDNGB-UHFFFAOYSA-N 373.460 3.755 0 40 FHAB CCc1ccc(CC)c(C(=O)CSc2nnnn2-c2ccccc2)c1 5629517 KQLGAQQRQBCJOH-UHFFFAOYSA-N 352.463 3.762 0 40 FHAB CSc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1 5786056 GNDJNODCYFGXGK-QGZVFWFLSA-N 353.447 3.675 0 40 FHAB CNC(=O)C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 5914034 ULNYPGONSNDZSZ-OAHLLOKOSA-N 351.233 3.601 0 40 FHAB C[C@H]1CCCCN1C(=O)c1cc(-c2ccncc2)c(N2CCOCC2)s1 12222019 ACTAAOKFGUNMNS-HNNXBMFYSA-N 371.506 3.661 0 40 FHAB CCCN(C(=O)c1ccc(Oc2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 15972220 RJAIWHVVIFMBFA-KRWDZBQOSA-N 373.474 3.518 0 40 FHAB CC1CCN([C@@H](C(=O)N2CCC(N3CCCC3)CC2)c2ccccc2)CC1 19659662 ZORMOZJDMPRBTD-JOCHJYFZSA-N 369.553 3.546 0 40 FHAB CCc1nn2c(=O)cc(CN(C)Cc3ccc(C(C)(C)C)cc3)nc2s1 20961979 XRLIGRPUGWEIJM-UHFFFAOYSA-N 370.522 3.643 0 40 FHAB FC(F)(F)c1cccnc1OC[C@@H]1CCCN(Cc2ccncc2)C1 1775995707 FKQVJEDSFWDSPM-OAHLLOKOSA-N 351.372 3.786 0 40 FHAB O=C(c1ccc(-c2cccc(Cl)c2)cc1)N1CC(Nc2ncccn2)C1 238829543 FOUUDUDPEIQVON-UHFFFAOYSA-N 364.836 3.734 0 40 FHAB CC1(C)C[C@]2(CCCN2C(=O)CCN2CCCC2)CN1c1cccc(F)c1 2037978421 VMZYKOFCMRSRPQ-JOCHJYFZSA-N 373.516 3.662 0 40 FHAB CCc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)CC)cc3)nc12 4585919 VFNXSOIHMHSRKJ-UHFFFAOYSA-N 374.487 3.905 0 40 FHAB Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(F)cc2)o1 9573812 CNJKOJONMSPJTP-UHFFFAOYSA-N 350.353 3.778 0 40 FHAB Cc1nc2ccccn2c(=O)c1NC(=O)Nc1ccc(C(C)(C)C)cc1 13707575 BSOHWQQTZSTKGG-UHFFFAOYSA-N 350.422 3.944 0 40 FHAB O=C(NCCn1cc(-c2cccnc2)cn1)C1(c2cccs2)CCCC1 585148355 FPPPDJDTSGTRBM-UHFFFAOYSA-N 366.490 3.635 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCC(n2cccn2)CC1 618257259 TWGDTFVMZVZSEX-UHFFFAOYSA-N 361.873 3.994 0 40 FHAB Cc1nnc(S[C@H](C)c2nnnn2-c2ccccc2)n1C1CCCCC1 40089641 MNSNYZHKKZDEDG-CYBMUJFWSA-N 369.498 3.921 0 40 FHAB CS(=O)(=O)c1ccc(-c2csc(-c3ccnc(Cl)c3)n2)cc1 30447389 NGHWWIVEPMOHRW-UHFFFAOYSA-N 350.852 3.929 0 40 FHAB COc1ccc(-c2cc(C(=O)NCc3ccccc3Cl)no2)cc1OC 46086714 QCFBJZUQONVLMR-UHFFFAOYSA-N 372.808 3.942 0 40 FHAB CC(C)C(=O)N1CCC[C@@H](C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)C1 46197259 YSJZLKQMELWNPL-DOTOQJQBSA-N 356.466 3.847 0 40 FHAB CCCc1ccc(OCC(=O)Nc2nc(C)c(C(=O)OCC)s2)cc1 938867 FSHUQSAEZDBONZ-UHFFFAOYSA-N 362.451 3.598 0 40 FHAB COc1ccccc1C(=O)Nc1cc(C(=O)NCC(C)C)ccc1Cl 1006495 TYYMPYUORWRZMP-UHFFFAOYSA-N 360.841 3.987 0 40 FHAB CNC(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 2630845 IKCUACZBZYKLPK-UHFFFAOYSA-N 360.822 3.520 0 40 FHAB CCc1ccccc1N1C(=O)N[C@@H]2C[C@@]1(C)Oc1ccc(C(=O)OC)cc12 4852897 LPGBGQFNYOUILP-IIBYNOLFSA-N 366.417 3.805 0 40 FHAB CC(C)(C)C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=S)Nc1ccccc1 4857354 UEOIRQOYPZKQQV-ALOPSCKCSA-N 359.539 3.931 0 40 FHAB CC(C)C[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NC(C)(C)C 4902199 MBEUTCPACXIJDU-MRVPVSSYSA-N 367.298 3.936 0 40 FHAB Cc1cc(NC(=O)c2ccccc2Cl)n(-c2nc3ccccc3[nH]2)n1 6315018 UZSFLZHIJYRKNA-UHFFFAOYSA-N 351.797 3.963 0 40 FHAB CCc1ccc(/C=C/C(=O)Nc2ccc(N3CCN(C)CC3)cc2)s1 6660991 XZNQFOFBCJCCKZ-ZHACJKMWSA-N 355.507 3.714 0 40 FHAB COc1ccc(OCC(=O)N(Cc2ccco2)Cc2cccs2)cc1 11914875 XFNUWPRQWSHBSM-UHFFFAOYSA-N 357.431 3.958 0 40 FHAB CCCOc1ccc(-c2nonc2NC(=O)c2ccc(OC)cc2)cc1 12062601 SUYGJRBSGRRNHB-UHFFFAOYSA-N 353.378 3.786 0 40 FHAB Cc1c(Cl)cc2c(oc(=S)n2[C@H]2CC(=O)[C@H]3OC[C@H]2O3)c1Cl 105601989 RBPUDUPCQGACEW-NYNLCMDTSA-N 360.218 3.834 0 40 FHAB COc1ccccc1CNC(=S)Nc1cccc(Br)c1 8104808 MANLSZNHXQEMGX-UHFFFAOYSA-N 351.269 3.944 0 40 FHAB Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1 676463 PGRQKKBIFXBYAY-UHFFFAOYSA-N 372.490 3.858 0 40 FHAB Cc1nc(Nc2nc3ccccc3o2)nc(C)c1C(=O)N1CCC(C)CC1 9937457 CXSNMZMSGWIJBL-UHFFFAOYSA-N 365.437 3.850 0 40 FHAB CSc1ccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(O)(c2cccnc2)C3)cc1 100463846 QFBSIXYXMQLIDC-IAGOWNOFSA-N 369.490 3.850 0 40 FHAB Cc1ccc(OC(=O)COc2ccccc2)c(-n2nc3ccccc3n2)c1 991279 VYFRUDKQXIKUQN-UHFFFAOYSA-N 359.385 3.713 0 40 FHAB COc1ccc2c(c1)CCc1cc(C(=O)NCCCn3ccnc3)sc1-2 23238500 YGGCUGWOMOAUIN-UHFFFAOYSA-N 367.474 3.539 0 40 FHAB COc1ccc(CC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 12404475 GXUPJJALGCNWJO-UHFFFAOYSA-N 366.461 3.893 0 40 FHAB CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1ccc(OC)c(OC)c1 21307653 DBXOSHLBXINPKG-IBGZPJMESA-N 369.461 3.666 0 40 FHAB CNC(=O)c1ccccc1NS(=O)(=O)c1ccccc1-c1ccccc1 12536290 PCTJRUGAWXMEML-UHFFFAOYSA-N 366.442 3.514 0 40 FHAB COC(=O)[C@H]1CC(=O)N(c2ccc3oc(-c4ccccc4Cl)nc3c2)C1 57327323 SDLPOFLNGLETMV-NSHDSACASA-N 370.792 3.674 0 40 FHAB COc1ccccc1N1CCN(/C(C)=C/C(=O)Nc2ccccc2C)CC1 1396048 VHHDIPYTOANDBA-FBMGVBCBSA-N 365.477 3.668 0 40 FHAB COc1ccc(C(=O)Nc2cc(C)nn2-c2ccc(F)cc2)cc1OC 28241939 YPEONBGEKYNNLZ-UHFFFAOYSA-N 355.369 3.589 0 40 FHAB COc1ccc(OCc2ccc(C(=O)NCc3ccc(F)cc3)o2)cc1 28237026 QJPPYLWERQAHEG-UHFFFAOYSA-N 355.365 3.936 0 40 FHAB CC[C@@H](NC(=O)CCc1ccc(OC)c(OC)c1)c1ccc(OC)cc1 20482017 RRRCEWMLBDCGNV-GOSISDBHSA-N 357.450 3.913 0 40 FHAB Cc1ccc(CN(c2cc(C)nc3nc(C(F)(F)F)nn23)C2CC2)cc1 25495006 XBPIZYGPLMUATA-UHFFFAOYSA-N 361.371 3.929 0 40 FHAB Oc1ccc(N2CCN(CCOc3ccc(Cl)cc3Cl)CC2)cc1 25572539 SZBNJIHMRWRBAP-UHFFFAOYSA-N 367.276 3.900 0 40 FHAB CCOCc1cc(C(=O)Nc2ccc(C(=O)OCC)cc2)ccc1OC 27752317 DDTHRKPMIPDPIG-UHFFFAOYSA-N 357.406 3.661 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N[C@@H](C)c2ccc(F)cc2F)c1C 57713700 UOORAWRKVNFJMO-CMPLNLGQSA-N 364.392 3.618 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2sc(NC(=O)C3CC3)cc2C)cc1 10084092 UGPJTYVCRUFTKM-UHFFFAOYSA-N 357.435 3.616 0 40 FHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 20492114 JWYPSCFKTDOHKU-IBGZPJMESA-N 368.433 3.618 0 40 FHAB COc1ccc(C(=O)[C@H](C)Sc2nnc(C3CC3)n2C2CC2)cc1OC 58201005 QYFHDMCNDYMWMN-NSHDSACASA-N 373.478 3.871 0 40 FHAB Cc1cc(NC(=O)[C@H](C)[S@@](=O)Cc2c(Cl)cccc2Cl)no1 58292294 SRHKNRGFBGYFLU-GTUYJWLHSA-N 361.250 3.566 0 40 FHAB CC(C)Cc1cc(-c2nn3c(Cc4ccc(F)cc4)nnc3s2)[nH]n1 44901443 UKABKUYBBCKAAN-UHFFFAOYSA-N 356.430 3.504 0 40 FHAB O=C(NCCc1c[nH]c2ccccc12)c1cccc(Nc2ncccn2)c1 28095055 SIDSSMIIAZVHHX-UHFFFAOYSA-N 357.417 3.674 0 40 FHAB CC1(C)Cc2nc3oc4c(NCc5ccco5)ncnc4c3cc2CO1 2224724 GIWCBUVQKWZIGG-UHFFFAOYSA-N 350.378 3.827 0 40 FHAB COc1ccc(-c2nnc3sc(-c4ccc(C)cc4)nn23)cc1OC 2371952 GKJKAJHOXHPVDG-UHFFFAOYSA-N 352.419 3.845 0 40 FHAB Cc1cccc(NC(=O)COC(=O)c2nc(Cl)ccc2Cl)c1C 3367435 JKMVBFGMMNXXMV-UHFFFAOYSA-N 353.205 3.801 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1nncn1C)c1ccccc1 3359422 FKNWGJMUHWKPSN-KRWDZBQOSA-N 368.462 3.604 0 40 FHAB O=C(N[C@@H](c1cccs1)C1CCCC1)[C@H]1CCCN(c2cnccn2)C1 48272509 KCNYIRNQEGWYAP-QFBILLFUSA-N 370.522 3.802 0 40 FHAB COc1cc(NC(=O)[C@H]2Cc3ccc(C)cc3S2)cc(OC)c1OC 12831429 QQTHJLVZUKTWNN-QGZVFWFLSA-N 359.447 3.676 0 40 FHAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1nc2ccccc2o1 12942229 ILQLSRFNRDHQAY-UHFFFAOYSA-N 365.311 3.801 0 40 FHAB COc1ccc(OC)c(-c2cc3ccc(OC(=O)C4CC4)cc3oc2=O)c1 4085088 AJAOUUCLUGILTR-UHFFFAOYSA-N 366.369 3.793 0 40 FHAB biogenic COc1ccccc1[C@H](C)N(C)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 63809609 NQKRRTRRWMXTBV-NSHDSACASA-N 369.446 3.840 0 40 FHAB Cc1nn(Cc2ccccc2)c(Cl)c1[C@@H]1NC(=O)c2ccccc2N1 8706811 NWOVXPQVAHTUEC-SFHVURJKSA-N 352.825 3.747 0 40 FHAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@@H](C)[C@@H]3CCCO3)c12 49674620 SBQCBPZAYSJTFJ-SJCJKPOMSA-N 370.497 3.669 0 40 FHAB O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CN1CCCCC1 5009792 DMYOHQBLOZMDLP-HXUWFJFHSA-N 367.489 3.728 0 40 FHAB CC(=O)[C@@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccccc1 8724074 FXLRJJPBCQLWNA-MRXNPFEDSA-N 354.387 3.888 0 40 FHAB O=C(OCn1nnc2ccccc21)c1c2c(nc3ccccc13)CCCC2 13942894 RPYXTJCRMDJOLI-UHFFFAOYSA-N 358.401 3.673 0 40 FHAB Cc1ccc2c(c1)CCCN2CC(=O)Nc1ccc2c(c1)OCCCO2 6553605 NWLBFLXCHVACKI-UHFFFAOYSA-N 352.434 3.548 0 40 FHAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(-c2ccccc2)cc1 8919485 TYOQHKLXCHKZQZ-UHFFFAOYSA-N 355.397 3.702 0 40 FHAB CC1=C(C(=O)Nc2ccc(C)c(C)c2)[C@H](c2ccc(F)cc2)NC(=O)N1 5753747 UUVAGEDOJZDUCG-SFHVURJKSA-N 353.397 3.709 0 40 FHAB O=C(O)[C@@H]1CCSCN1C(=O)OCC1c2ccccc2-c2ccccc21 1535644210 CNARUMHQNRRXRD-SFHVURJKSA-N 369.442 3.785 0 40 FHAB Cc1ccccc1Cn1c(=O)n(-c2ccccc2F)c(=O)c2sccc21 67258186 BKLJQWCEKATCPR-UHFFFAOYSA-N 366.417 3.710 0 40 FHAB Cc1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)N2CCCC2)o1 15860225 BACKSAYIAVCDJY-QGZVFWFLSA-N 362.857 3.574 0 40 FHAB Cc1nn(C)c(C)c1NC(=O)CSc1nc(-c2ccccc2)cs1 7501848 CBFHHHNGCZOJNM-UHFFFAOYSA-N 358.492 3.891 0 40 FHAB C[C@H](NCc1ccc(COC2CCOCC2)cc1)c1ccc2c(c1)OCO2 90723612 YPRAQOCDXQEMHW-INIZCTEOSA-N 369.461 3.962 0 40 FHAB O=C(CNC(=O)c1ccccc1)NCc1ccc(-c2ccc(Cl)cc2)o1 7898908 RKNLCHZCMMYPFH-UHFFFAOYSA-N 368.820 3.646 0 40 FHAB Cc1ccc2c(=O)c(CN3CCN(c4ccccc4)CC3)c(C)[nH]c2c1C 19793691 MZZOINSBOZHVAN-UHFFFAOYSA-N 361.489 3.776 0 40 FHAB COc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c2ccccc12 16677371 PQDZXPPCBDPISJ-CQSZACIVSA-N 353.443 3.988 0 40 FHAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc2nc(C)sc2c1 9500995 YLLRJBRQPIXABZ-GOSISDBHSA-N 365.458 3.517 0 40 FHAB Cc1cc(C(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc23)n(C)n1 84101757 ORNIWNAEBGSIMS-MRXNPFEDSA-N 364.474 3.833 0 40 FHAB Cc1n[nH]c(C)c1NC(=O)c1ccc(NC(=O)[C@@]2(C)C[C@H]3C=C[C@H]2C3)cc1 112248902 PGJDMQKZIQJPCJ-HTZUNMPGSA-N 364.449 3.820 0 40 FHAB Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)CC[C@H]2CCCCO2)cc1 72303171 ZBDNABHCRLZQAC-RTWAWAEBSA-N 359.510 3.894 0 40 FHAB O=C(NCc1ccccc1-n1ccnc1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 84504751 LFNMTNLGFXSFNG-QZTJIDSGSA-N 351.837 3.946 0 40 FHAB Clc1cc2c(cc1SCc1ncn(-c3ccccc3)n1)OCCO2 95457512 ITLPHFPNEYNIOJ-UHFFFAOYSA-N 359.838 3.984 0 40 FHAB COc1ccc2cc(CNC(=O)Cc3ccc(NC(C)=O)cc3)ccc2c1 9940826 FPVFYEXXQRYVLK-UHFFFAOYSA-N 362.429 3.666 0 40 FHAB CCc1ccc(CCC(=O)N2CC(Cc3cc(OC)cc(OC)c3)C2)cc1 75094530 BDCGYBOPQLGPPU-UHFFFAOYSA-N 367.489 3.900 0 40 FHAB CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccccc1O 409411571 JLMJMQRTRPJOAS-UHFFFAOYSA-N 372.425 3.541 0 40 FHAB CCOc1cc(Br)c(/C=C2\SC(=O)N(C)C2=O)cc1OC 408808407 GJMZSXOQOPEQDJ-SDQBBNPISA-N 372.240 3.523 0 40 FHAB C[C@H]1c2ccccc2CCN1C(=O)NCc1cccc2c1OCCCO2 178260856 RRVIHYYEVVCDSY-HNNXBMFYSA-N 352.434 3.677 0 40 FHAB CN(C)c1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(F)cc3)n2)cn1 35426243 RZWFGWWCEHXPID-KRWDZBQOSA-N 367.428 3.674 0 40 FHAB biogenic,in-vitro CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 38771305 WDGIYTTVRFBTLB-SUMWQHHRSA-N 361.413 3.878 0 40 FHAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2ccccc2OC)c1 219559971 LPLHQMDRNADPEC-INIZCTEOSA-N 357.406 3.668 0 40 FHAB O=C1CCCN1c1ccc(CNCc2csc(-c3ccccn3)n2)cc1 123992628 VUTZAHOEBXXEIF-UHFFFAOYSA-N 364.474 3.622 0 40 FHAB COC(=O)Nc1ccc(CNC(=O)c2ccccc2Br)cc1 48356538 LSFDXNLMIZHZKG-UHFFFAOYSA-N 363.211 3.557 0 40 FHAB CC(C)COc1ccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)cn1 44366896 SWIZXMHDHOAWKO-UHFFFAOYSA-N 364.449 3.574 0 40 FHAB COc1ccc(CN2C[C@@H](c3ccn[nH]3)[C@H](c3ccc(F)cc3)C2)cc1 72395565 YLJDTDVOKQGSKA-VQTJNVASSA-N 351.425 3.941 0 40 FHAB COc1ccc(NC(=S)NCCSCc2ccccc2)c(OC)c1 225289292 WVYSXWXHXASYCF-UHFFFAOYSA-N 362.520 3.924 0 40 FHAB CCc1ccc(OCCNC(=O)COc2cccc3c2CCCC3)cc1 225163440 NNWSSAMLDZWCIR-UHFFFAOYSA-N 353.462 3.702 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C 224393698 FOWMQOFVADBCEL-FQEVSTJZSA-N 370.468 3.620 0 40 FHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 225053817 VQSUXNVIVWGXHB-RTBURBONSA-N 366.505 3.870 0 40 FHAB Cc1ccccc1CN1CCC(C(=O)NCCc2ccc(F)cc2)CC1 224526650 WKVRYZMPSQSZGT-UHFFFAOYSA-N 354.469 3.705 0 40 FHAB CN(C)c1ncc(NC(=O)c2ccc(-c3ccccc3)cc2)c(N(C)C)n1 224349386 PVWCDESCZCGCGT-UHFFFAOYSA-N 361.449 3.528 0 40 FHAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccc3ccccc3n2)c1 48332997 HNRRYUUWYRJMHK-OAHLLOKOSA-N 361.445 3.693 0 40 FHAB Cc1cnn([C@@H]2CCN(C(=O)NCC3(c4ccc(C)c(C)c4)CCC3)C2)c1 570095303 KXJIULMRHOXBHK-HXUWFJFHSA-N 366.509 3.887 0 40 FHAB COc1cccc(O[C@H](C)C(=O)Nc2nnc(-c3ccc(C)cc3)s2)c1 223993204 FRMYBGJHMBEGFN-CYBMUJFWSA-N 369.446 3.928 0 40 FHAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(O)c(OC)c3)N21 222655572 OSKPFECEDJMMDV-DOPJRALCSA-N 355.463 3.775 0 40 FHAB COC(=O)[C@H]1CC(=O)N(c2cccc(-c3nc4cc(Cl)ccc4o3)c2)C1 45887102 VLOIWHWMKPHHBS-LBPRGKRZSA-N 370.792 3.674 0 40 FHAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(N)ccc1N(C)C 226261399 CVTXFNANKCLPRY-UHFFFAOYSA-N 354.237 3.903 0 40 FHAB O=C(CCn1ccc2c(Cl)cccc21)N1CC[C@@]2(O)CCCC[C@@H]2C1 95472469 XVODSGUWVYKNCC-QRWLVFNGSA-N 360.885 3.838 0 40 FHAB Cc1nc2n(c(=O)c1C)CN(C1CC1)CN2c1ccc(Cl)cc1Cl 96305508 PDCWLNYCHOZUOE-UHFFFAOYSA-N 365.264 3.698 0 40 FHAB CCC1=NC2(CCC(C(=O)Nc3cccc(C)c3)CC2)C(=O)N1CC1CC1 96261378 SQYVYGVCKXZAPX-UHFFFAOYSA-N 367.493 3.923 0 40 FHAB CCOc1ccc(-c2nc([C@H](N)Cc3ccccc3)n[nH]2)cc1OCC 95534936 KSZCRRSTDICFDG-MRXNPFEDSA-N 352.438 3.512 0 40 FHAB Cc1cccc(NC(=O)N2CC[C@@]3(CC(=O)N(c4cccc(C)c4)C3)C2)c1 96238534 GLIHYABCUFUAFY-JOCHJYFZSA-N 363.461 3.964 0 40 FHAB CC(C)n1ccc2c(NC(=O)c3cnc4sccn4c3=O)cccc21 95478556 MFYCPPZARUYOEB-UHFFFAOYSA-N 352.419 3.544 0 40 FHAB Cc1cccnc1CNC[C@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1 96296369 WZMQHMANHBJVFT-KRWDZBQOSA-N 368.868 3.596 0 40 FHAB biogenic,in-vitro CC(C)(C)OC(=O)N1CCC(C)(C(=O)NCc2ccc(Cl)cc2)CC1 91689984 ROFXICFILAJVDZ-UHFFFAOYSA-N 366.889 3.993 0 40 FHAB CCO[C@H]1CCC2(CCN(C(=O)c3csnn3)CC2)c2ccccc21 96079623 IWUIFVBGIBXMGG-KRWDZBQOSA-N 357.479 3.584 0 40 FHAB COc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)c1 98211302 QKRUNSZOBOQXKF-UHFFFAOYSA-N 374.400 3.852 0 40 FHAB Cc1c[nH]c(-c2cc([C@@H]3CCCCN3Cc3cscn3)nc(C)n2)n1 257300468 RUKNXCKDYVVQOE-KRWDZBQOSA-N 354.483 3.667 0 40 FHAB CCOc1cc(CNCc2ccc3cnn(C)c3c2)c2c(c1)C[C@@H](C)O2 585085348 HYSKHXYDVXEEFV-CQSZACIVSA-N 351.450 3.585 0 40 FHAB O=C(O)[C@@H]1CCN(C(=O)c2csc(Br)c2)[C@@H]2CCCC[C@H]12 659194340 LSUBVTRKNHQJGP-IJLUTSLNSA-N 372.284 3.616 0 40 FHAB Cc1ccc(-c2nc(CCNC(=O)c3cnc4ccccc4n3)co2)cc1 110345231 JVKWZEFUIJRFSJ-UHFFFAOYSA-N 358.401 3.566 0 40 FHAB CC(C)(C)c1cc(C(=O)N2C[C@H]3CC[C@H]2[C@H](O)C3)c(O)c(C(C)(C)C)c1 1638277114 DPQNCZXDEQPYMD-DOPJRALCSA-N 359.510 3.973 0 40 FHAB O=C(N[C@@H]1CCO[C@H]1c1cccnc1)N[C@H](C1CCCCC1)C(F)(F)F 623087195 DWQDAXQRJFDEML-OWCLPIDISA-N 371.403 3.722 0 40 FHAB Cn1c(O)nc2cc(C(=O)N3CC4(CCCC4)c4c(F)cccc43)ccc21 623724298 BQNPTXLEYZCENE-UHFFFAOYSA-N 365.408 3.890 0 40 FHAB O=C(c1ccsc1)N1Cc2cccn2C[C@H](CCNc2ccccn2)C1 585095595 ZPEPWWHRUROZQC-INIZCTEOSA-N 366.490 3.719 0 40 FHAB O=C1COC2(CCN(C3CCCCCC3)CC2)CN1c1cccc(F)c1 1615123445 RKFBFBAGPDIRNJ-UHFFFAOYSA-N 360.473 3.746 0 40 FHAB CC[C@H](C)NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 5043586 UIFUXZCJCAGXFM-CWSCBRNRSA-N 356.348 3.665 0 40 FHAB COC(=O)c1ccccc1[C@H]1CN=N[C@]12Cc1c(ccc3c1CCC3)C2=O 5537990 BEVZCKSDDOQXIV-DENIHFKCSA-N 360.413 3.689 0 40 FHAB Cc1ccc2[nH]c3nc(SCC(=O)N4[C@@H](C)CCC[C@@H]4C)nnc3c2c1 5750994 IZLKAESYOUOWKE-STQMWFEESA-N 369.494 3.696 0 40 FHAB COc1ccc(O[C@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)cc1 11660746 RIGRRYGRFNWHSG-GFCCVEGCSA-N 353.340 3.798 0 40 FHAB COc1ccccc1[C@@]1(O)CCCN(C(=O)c2[nH]c3ccccc3c2C)C1 12325472 NLYKQRFITHXSFY-JOCHJYFZSA-N 364.445 3.609 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCC(C)C)c2)cc1 12605139 ADILJYQICUUKNN-UHFFFAOYSA-N 374.506 3.880 0 40 FHAB CC(C)CC[C@H](C)NC(=O)[C@H](C)NC(=O)Cc1cccc2ccccc12 12908109 QBVFMXMKJXLQCS-IRXDYDNUSA-N 354.494 3.828 0 40 FHAB C[C@@H](NC(=O)CCNC(=O)NC1CCCCC1)c1cc2ccccc2o1 14899360 IEAOYAPBDLFPLG-CQSZACIVSA-N 357.454 3.632 0 40 FHAB CCCC(=O)N1CCC(c2nnc(-c3nccc4ccccc34)o2)CC1 19501175 AHAORTZPEJWVKC-UHFFFAOYSA-N 350.422 3.791 0 40 FHAB Cc1cc(NC(=O)[C@@]2(C)CCCO2)n(-c2ccccc2C(F)(F)F)n1 154714266 LSFNCAJKBOKHSJ-MRXNPFEDSA-N 353.344 3.707 0 40 FHAB Fc1cccc(Cl)c1CN1CCN(c2cc(C(F)(F)F)ncn2)CC1 1203406607 JOJYFGJKUUJZJF-UHFFFAOYSA-N 374.769 3.610 0 40 FHAB CCn1c(SCc2nc(-c3cccs3)no2)nnc1-c1ccncc1 6810753 ZJTZNPVJPFSWRL-UHFFFAOYSA-N 370.463 3.764 0 40 FHAB O=C(Nc1ccc2sccc2c1)c1cccc(N2C(=O)CCC2=O)c1 4134741 XZWDBGMLYUZIJI-UHFFFAOYSA-N 350.399 3.807 0 40 FHAB CCCC1=C(C(=O)OCC)[C@@H](c2c(F)cccc2Cl)NC(=O)N1C 4152270 MOTWRZPALPXTPL-OAHLLOKOSA-N 354.809 3.793 0 40 FHAB Cc1nn(C(=O)c2ccccc2Br)c(C)c1Br 4524727 HBPFHUXKTXGOGG-UHFFFAOYSA-N 358.033 3.713 0 40 FHAB O=C1CC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)Oc2ccccc21 4505695 ZIFPFMMIHZYANL-UHFFFAOYSA-N 354.381 3.858 0 40 FHAB COC(=O)CC[C@H]1C(=O)C(C)(C)C(=O)O[C@@H]1c1ccc(Cl)cc1Cl 4751484 UNICYROSBMSQCK-BXUZGUMPSA-N 373.232 3.756 0 40 FHAB Cc1ccc(OCCOC[C@@H](O)CNC(C)(C)CC(C)(C)C)cc1C 4942395 CKQFLBLKBWSMIN-SFHVURJKSA-N 351.531 3.864 0 40 FHAB O=C(CCCn1nc(-c2ccc(F)cc2)ccc1=O)Nc1ccccc1F 12440923 JTLOAAPOCGTRBP-UHFFFAOYSA-N 369.371 3.607 0 40 FHAB COc1ccc(-n2nnc(C(=O)OCc3cc(C)ccc3C)c2C)cc1 12415663 YFYSPHLTIRJMQK-UHFFFAOYSA-N 351.406 3.558 0 40 FHAB CCc1ccc([C@H](c2sc3nc(CC)nn3c2O)N2CCCC2)cc1 22852974 SUTAXLAOSAOIBW-MRXNPFEDSA-N 356.495 3.806 0 40 FHAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)Nc1cccc(Cl)c1 23105667 WNNAWRDDHDRETD-HNNXBMFYSA-N 365.886 3.597 0 40 FHAB Cc1cc(OC2CN(C(=O)c3ccc(-c4cccs4)cc3)C2)cc(=O)o1 206959470 AHJSLSSPDUCYEA-UHFFFAOYSA-N 367.426 3.580 0 40 FHAB CC(C)(C)c1ccc(OCCNCc2c(O)c3ccccc3oc2=O)cc1 16323263 UMZYSJZKLBELJL-UHFFFAOYSA-N 367.445 3.965 0 40 FHAB COC(=O)c1cc(NC(=O)c2nc(-c3ccccc3)oc2C)c(F)cc1F 30820877 VYVJTIGTSJYUGZ-UHFFFAOYSA-N 372.327 3.967 0 40 FHAB O=C(CCNC(=O)c1ccsc1)Nc1ccc(Oc2ccncc2)cc1 50489933 PUEAJFFLCUHVTE-UHFFFAOYSA-N 367.430 3.694 0 40 FHAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(Oc3ccccc3)cc1)CS2 7670088 QLIYJMJVPOGRCY-YLJYHZDGSA-N 368.458 3.871 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(-c3cccc(O)c3)o2)c(C)c1 648133 VYMDCMDMQLLFBJ-UHFFFAOYSA-N 355.419 3.790 0 40 FHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1C 888175 KUQFTNQKQMPPTB-UHFFFAOYSA-N 366.490 3.928 0 40 FHAB O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2)N1CCCCC1 918377 LPNAOWIROGBLJB-BXUZGUMPSA-N 368.359 3.763 0 40 FHAB COc1cc2cc(C)c(SCC(=O)N3CCC[C@@H](C)C3)nc2cc1OC 928272 UJPSKKKVSFHILB-CYBMUJFWSA-N 374.506 3.911 0 40 FHAB CC1(C)[C@@H]2CC[C@@]1(C)c1nc(SCC(=O)Nc3ccc(F)cc3)nnc12 929310 CLIQVSCEPAGLMN-YJYMSZOUSA-N 372.469 3.916 0 40 FHAB O=C(Nc1ccc(F)cc1)[C@@H]1CC(O)=Nc2cc(-c3ccccc3)nn21 20730048 YXHWNRPOKZEOCS-INIZCTEOSA-N 350.353 3.861 0 40 FHAB CC1CCN(C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)CC1 21003208 YOGRSQUYPQDVIL-FQEVSTJZSA-N 350.462 3.806 0 40 FHAB O=C(CSc1ncccc1C(=O)O)c1ccc(Br)cc1 6220400 XCKPJSGPLOYQNT-UHFFFAOYSA-N 352.209 3.517 0 40 FHAB CC(=O)N1CCC(Nc2ncnc3cc(-c4ccc(F)cc4)sc23)CC1 8728477 UKIHUYSXFDTHMQ-UHFFFAOYSA-N 370.453 3.920 0 40 FHAB Cc1cc(C)cc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2C)c1 8415947 HMEFQQXNBBRZPM-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB CCn1c(CN2CCC(O)(c3ccccc3F)CC2)nc2ccccc21 57823216 QXWPGBNDROWUGQ-UHFFFAOYSA-N 353.441 3.679 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)S(=O)(=O)Cc1cccc2ccccc12 32929913 PTZARGUZLZXXRK-QINHECLXSA-N 373.518 3.838 0 40 FHAB CCCCCOc1ccc(NC(=O)C(=O)NCc2ccccc2C)cc1 9232734 VIDYVMIGLISNGL-UHFFFAOYSA-N 354.450 3.819 0 40 FHAB O=C(CN1CCCCCC1=O)Nc1ccc(OCc2ccccc2)cc1 33018852 BJWZZDBRRSTTMJ-UHFFFAOYSA-N 352.434 3.607 0 40 FHAB CC(C)CCNC(=O)[C@@H]1CCCN(c2ncnc3c2oc2ccccc23)C1 33290471 NAOQCXNHOMRJHH-OAHLLOKOSA-N 366.465 3.755 0 40 FHAB COc1cc(NC(=O)[C@@](F)(Cl)C(F)(F)F)c(OC)cc1Cl 2751812 NBLGHNDAGNHFQJ-JTQLQIEISA-N 350.095 3.763 0 40 FHAB Cc1nnc([C@@H]2Cc3ccccc3CN2CCOc2ccccc2F)o1 58428064 XWHLIPSBDUZZIL-SFHVURJKSA-N 353.397 3.696 0 40 FHAB CC1=C(C(=O)OCCCc2ccccc2)[C@H](c2cccs2)NC(=O)N1C 2757391 ARUQHALSEXXQIA-SFHVURJKSA-N 370.474 3.894 0 40 FHAB COC(=O)c1c(NC(=O)c2cc(Cl)c3c(c2)OCO3)sc(C)c1C 58159938 CBYXJUDLDDRVGC-UHFFFAOYSA-N 367.810 3.786 0 40 FHAB COc1cccc(-c2nnc(-c3cc4cc(OC)ccc4oc3=O)o2)c1 846049 MICLGNDHTDKCPS-UHFFFAOYSA-N 350.330 3.527 0 40 FHAB CC1(C)C[C@H]2C[C@@](C)(CN2CC(C)(C)NS(=O)(=O)c2cccs2)C1 102942431 FYUAXLKJKRMTJG-KBXCAEBGSA-N 370.584 3.706 0 40 FHAB O=C(NC1CCCC1)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12 994460 UWJAOKRGEYEJQV-UHFFFAOYSA-N 364.327 3.681 0 40 FHAB CC(C)=C1[C@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccccc3Br)C(=O)[C@@H]21 101360484 XZKPWLYCANZKAH-OJXGSEEGSA-N 358.235 3.707 0 40 FHAB CN1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccco3)=NN12 934770 XXUYOFJZLUGSIL-INIZCTEOSA-N 357.841 3.898 0 40 FHAB Cc1ccc(-c2csc3ncn(CC(=O)OC(C)C)c(=O)c23)cc1C 952340 APNOOANWRXSXBA-UHFFFAOYSA-N 356.447 3.693 0 40 FHAB Oc1ccc(N2CCN(Cc3ccc(Br)cc3F)CC2)cc1 23702396 LGBBZDYOBBDWPU-UHFFFAOYSA-N 365.246 3.616 0 40 FHAB CN(C)c1ccc(-n2nc3ccc(NC(=O)Cc4ccccc4)cc3n2)cc1 1256345 GKNLFQVMIYVWMT-UHFFFAOYSA-N 371.444 3.668 0 40 FHAB COc1cc(N[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)ccc1NC(C)=O 56162551 OYFUTIJSQQYBPQ-LBPRGKRZSA-N 359.401 3.540 0 40 FHAB O=C(Cc1csc(-c2ccco2)n1)NCCCOCc1ccccc1 25770431 ODWKLJCSDWZYKP-UHFFFAOYSA-N 356.447 3.669 0 40 FHAB Cc1cccc(N2CCN([C@@H](C)C(=O)Nc3c(F)cccc3F)CC2)c1C 57392224 MGEGAWBODJPPDV-INIZCTEOSA-N 373.447 3.731 0 40 FHAB O=C(NC1CC1)[C@@H](NCc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 57593671 SAFQDPGNDQAOOV-KRWDZBQOSA-N 366.358 3.954 0 40 FHAB CCCCCn1c(O)c(C(=O)Nc2cc(C)ccn2)c(=O)c2ccccc21 1898784 ICOPHGIVWMBBNX-UHFFFAOYSA-N 365.433 3.853 0 40 FHAB O=C(c1ccccc1Nc1ccccc1)N1CCN(c2nccs2)CC1 10269849 NRLGJKJXIMVXCL-UHFFFAOYSA-N 364.474 3.849 0 40 FHAB C[C@H](NC(=O)c1ccccc1OC(F)F)c1ccc(-n2ccnc2)cc1 12535386 BFRSWJUEUQXTGO-ZDUSSCGKSA-N 357.360 3.965 0 40 FHAB COc1cccc(CNCC(=O)NC(c2ccccc2)c2ccccc2)c1 58219038 QNKLWQUBKJYSJY-UHFFFAOYSA-N 360.457 3.691 0 40 FHAB CC(C)NC(=O)c1cccc(NC(=O)c2csc(Br)c2)c1 27733326 FLFXIHYYYVSESF-UHFFFAOYSA-N 367.268 3.901 0 40 FHAB CC(=O)Nc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 10456663 WJQRNZMIXASRLZ-UHFFFAOYSA-N 365.477 3.561 0 40 FHAB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(SCC(=O)O)c23)CO1 2226738 XZLJJDFKHVRJKZ-HNNXBMFYSA-N 370.521 3.831 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)Sc2nnc(C3CC3)n2-c2ccccc2)on1 10645855 WMBSWPCZCCHCHI-GFCCVEGCSA-N 369.450 3.560 0 40 FHAB CC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1 12604818 OCIHSPUTMPDABL-CQSZACIVSA-N 360.479 3.633 0 40 FHAB CN(Cc1cccc(F)c1)Cc1nc(N)nc(Nc2ccc(Cl)cc2)n1 28792434 WRKWWDRISJEYLP-UHFFFAOYSA-N 372.835 3.622 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)c1ccccc1C(F)(F)F)CC2 2438565 RFXBXLUEHGOTTB-UHFFFAOYSA-N 365.351 3.921 0 40 FHAB COC(=O)C[C@@H](NC(=O)c1c(F)cccc1Cl)c1ccc(OC)cc1 48272062 YGQZIEXBAIYUKG-OAHLLOKOSA-N 365.788 3.522 0 40 FHAB O=C(c1ccoc1)N1CCC[C@H](C(=O)N2CCC[C@H]2c2ccsc2)C1 48234186 PDHDURYLEXFXSU-YOEHRIQHSA-N 358.463 3.557 0 40 FHAB O=C(Nc1nc2c(s1)CCCCC2)c1ccc(N2CCCC2=O)cc1 12827602 JJRFVVMWHSYUDR-UHFFFAOYSA-N 355.463 3.791 0 40 FHAB Cc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1NC(=O)c1ccco1 8157075 WUSRIBHVLVROLY-UHFFFAOYSA-N 360.373 3.969 0 40 FHAB COc1ccc(C(=O)N[C@H](C(=O)Nc2cc(F)ccc2C)C(C)C)cc1 3566307 JGTCEKAUNUPYCX-SFHVURJKSA-N 358.413 3.536 0 40 FHAB COCc1c(C(=O)Nc2ccc3c(c2)OCCCO3)oc2ccccc12 8156563 BNGCYBJCWLBGML-UHFFFAOYSA-N 353.374 3.993 0 40 FHAB COC(=O)c1ccc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1 6087108 QOBQHXQDMZMJPN-UHFFFAOYSA-N 363.200 3.538 0 40 FHAB COc1cccc(C(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2-3)c1 5044173 XXKQOUISUBDVJZ-UHFFFAOYSA-N 372.376 3.946 0 40 FHAB CSc1ccccc1NC(=O)CN(C)C(=O)c1cc2c(s1)CCC2 8302890 YYFHCQRHNGZLTI-UHFFFAOYSA-N 360.504 3.669 0 40 FHAB O=C(NCc1nc(-c2ccc(OC(F)(F)F)cc2)no1)c1ccccc1 13726092 GQVQSIZJOFXBDB-UHFFFAOYSA-N 363.295 3.565 0 40 FHAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1cc2ccccc2oc1=O 5281681 MZTDGALSOFTYDH-UHFFFAOYSA-N 372.760 3.575 0 40 FHAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)c1ccc2c(c1)OCO2 5324349 JCBXCRHVPRMODB-UHFFFAOYSA-N 358.350 3.579 0 40 FHAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc(F)cc(N2CCCC2)c1 65626725 YTQQRHWMQPSWEE-DJJJIMSYSA-N 356.397 3.593 0 40 FHAB CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)sc(C)c1CC 5477185 PJJSKVPWVNXLSI-UHFFFAOYSA-N 361.463 3.985 0 40 FHAB COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C)c3)o2)cc1 4715698 IPJKOIZPWYNBSF-UHFFFAOYSA-N 369.446 3.708 0 40 FHAB O=C(Nc1cccc(-n2cnnn2)c1)c1ccc(-c2ccccc2Cl)o1 6764541 MLBPFGUXGQEJJY-UHFFFAOYSA-N 365.780 3.828 0 40 FHAB Cc1ccc(Cn2c(=O)n(Cc3ccccc3)c(=O)c3ccccc32)cc1 6815795 MXOUKRKKQSOOCM-UHFFFAOYSA-N 356.425 3.568 0 40 FHAB Cc1cccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2cccc(Cl)c2)c1C 6881511 MZQFIRGUBXBVQQ-OAHLLOKOSA-N 373.884 3.854 0 40 FHAB COc1cccc(NC(=O)CSc2nnc(C)n2C2CCCCC2)c1 5866142 LELKEBVXXRSDHI-UHFFFAOYSA-N 360.483 3.831 0 40 FHAB COc1ccc(-n2nnc(C(=O)Nc3ccccc3SC)c2C)cc1 4938652 UYFUTXKDVVQNPZ-UHFFFAOYSA-N 354.435 3.559 0 40 FHAB CCN(CC)CCCNc1ncnc2c1cnn2-c1ccc(C)c(Cl)c1 17287556 ZOKDGLPZEFNJLL-UHFFFAOYSA-N 372.904 3.921 0 40 FHAB C[C@@H]1CCC[C@@H](NC(=O)CSc2nnc3sc4ccccc4n23)[C@@H]1C 7238781 RGNNLUFYIYXEMQ-JHJVBQTASA-N 374.535 3.977 0 40 FHAB Cc1nc2nc(C(F)(F)F)nn2c(O)c1Cc1cccc2ccccc12 18223175 VDCIPTGIEJYOMB-UHFFFAOYSA-N 358.323 3.901 0 40 FHAB Cc1ccc(NC(=O)c2nn(-c3cccc(Cl)c3)ccc2=O)c(C)c1 9205714 GFRJUEQYPYPKHH-UHFFFAOYSA-N 353.809 3.755 0 40 FHAB Cc1cc2occ(CC(=O)N3CCCC4(C3)OCCO4)c2cc1C(C)C 84129000 IUAZFNPQASYTCT-UHFFFAOYSA-N 357.450 3.773 0 40 FHAB Cc1n[nH]c(C2CCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)n1 72232527 YNGHPYKAPGXCTN-UHFFFAOYSA-N 354.385 3.532 0 40 FHAB COc1ccccc1-c1n[nH]c(SCC(=O)Nc2cccc(C)c2C)n1 9489319 VWQSMJBGBBIWAO-UHFFFAOYSA-N 368.462 3.828 0 40 FHAB COc1ccc(-c2nc(CC(=O)NCc3ccc(C)cc3)cs2)cc1 9458621 FTUKQZHWSOUTMP-UHFFFAOYSA-N 352.459 3.986 0 40 FHAB O=C(Nc1ccc(Cl)cn1)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 79075940 FEKQNECXLDUBMO-SJLPKXTDSA-N 367.840 3.982 0 40 FHAB Cc1nc(CNC(=O)COc2ccccc2)oc1-c1ccc(Cl)cc1 79074074 TYAVODCQPJGOMO-UHFFFAOYSA-N 356.809 3.999 0 40 FHAB Cc1cc(C)n2nc(C)c(C(=O)N[C@H]3CCOc4c(Cl)cccc43)c2n1 97669543 HDRWOJUQASNYOU-HNNXBMFYSA-N 370.840 3.562 0 40 FHAB CC(C)=C[C@H]1[C@@H](C(=O)NCc2ccc(OCC(F)(F)F)nc2)C1(C)C 84671022 BXEZQUIAXZJBKE-ZFWWWQNUSA-N 356.388 3.877 0 40 FHAB CNC(=O)c1ccc(NC(=O)N2CC[C@H](c3ccccc3)C2)c(Cl)c1 89391769 YIBGIPFSZFSIDS-HNNXBMFYSA-N 357.841 3.721 0 40 FHAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)c1ccccc1)C2=O 9953401 ORDDSJZGQFLCMU-UHFFFAOYSA-N 356.466 3.786 0 40 FHAB COC(=O)Nc1ccccc1OCC(=O)Nc1ccc(F)c(Cl)c1 75092361 DIZMBALPPLDVOI-UHFFFAOYSA-N 352.749 3.675 0 40 FHAB CCc1c(C(=O)N2C[C@@H](C)OC[C@@H]2c2ccccc2)[nH]c(C)c1C(C)=O 173731986 PADVKEBOQFZANH-FZKQIMNGSA-N 354.450 3.690 0 40 FHAB CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccccc1O 409412573 XVDRBBQVSQQVKT-UHFFFAOYSA-N 372.425 3.541 0 40 FHAB O=C(Nc1ccccc1Oc1ccccc1Cl)N1C[C@H]2COC[C@@H](C1)O2 514952278 QRUNRSPOSSDODQ-OKILXGFUSA-N 374.824 3.764 0 40 FHAB O=C(Nc1cccc(C(F)(F)F)c1)c1c[nH]c2ccc(F)cc2c1=O 32606270 WALPRNLBXLVIBY-UHFFFAOYSA-N 350.271 3.938 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)n1cc(C(N)=O)c2ccccc21 216910650 AIYWSUIKAIRFGE-UHFFFAOYSA-N 356.809 3.891 0 40 FHAB COc1cccc(NC(=O)NCc2nc(-c3cccc(Cl)c3)no2)c1 79084140 JVRBEXNRDIZQDF-UHFFFAOYSA-N 358.785 3.720 0 40 FHAB CSc1ccccc1C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F 70636382 YEEWIIFXRZEJSK-MRXNPFEDSA-N 355.381 3.588 0 40 FHAB O=C(O)CCc1nc(-c2cn(-c3ccccc3)nc2-c2ccccc2)no1 71195167 AVLRJNCRVFVPFU-UHFFFAOYSA-N 360.373 3.607 0 40 FHAB CCCn1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)n1 36616592 QSUDDHJJSYILJO-UHFFFAOYSA-N 374.448 3.977 0 40 FHAB CCN1CCCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 72216479 RZQQKVMONTYONF-SFHVURJKSA-N 374.529 3.686 0 40 FHAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NCC(C)C 216442100 YCTSMJDYVMOQQI-INIZCTEOSA-N 354.450 3.787 0 40 FHAB CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(CC2CC2)C1 72391299 NPGMUACQQZFRBA-QHCPKHFHSA-N 363.505 3.529 0 40 FHAB CCN(CC)C(=O)CN1CCC[C@@H]1c1cc(Nc2ccccn2)cc(C)n1 72372472 SPTRUJUBIPRDGK-LJQANCHMSA-N 367.497 3.534 0 40 FHAB O=C(NCC1CCCCC1)c1ccccc1NS(=O)(=O)c1ccccc1 223933486 UWMUKFDPAQQLPI-UHFFFAOYSA-N 372.490 3.798 0 40 FHAB COc1ccc(NC(=S)N[C@H](C)COc2ccccc2C)cc1OC 225634956 LDOHBRPVJAEKMV-CQSZACIVSA-N 360.479 3.766 0 40 FHAB CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 222723875 DOWOPTUNXGYDTK-NEPJUHHUSA-N 354.298 3.508 0 40 FHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 223002629 UHMVEGNSEIJGSR-OALUTQOASA-N 370.522 3.617 0 40 FHAB CCOC(=O)CCCCCCC(=O)c1ccc(CN2CCOCC2)cc1 43210879 JJKNDZMDMTYGQR-UHFFFAOYSA-N 361.482 3.605 0 40 FHAB COc1ccc(C(=O)NC[C@](C)(O)c2ccc(-c3ccccc3)cc2)cc1 75155385 UAWSZOCQOHJYNF-QHCPKHFHSA-N 361.441 4.000 0 40 FHAB Cc1ccc(C)c(NC(=S)N2CCN(Cc3cccc(O)c3)CC2)c1 225219800 MBSHACVVDFBQNO-UHFFFAOYSA-N 355.507 3.524 0 40 FHAB NNC(c1ccc(Br)cc1)c1ccc(Br)cc1 199547235 HTQCGRVLHFNNMX-UHFFFAOYSA-N 356.061 3.764 0 40 FHAB Cc1ccc(CN2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)o1 96038270 LPQMGHUSNGEWGW-UHFFFAOYSA-N 365.481 3.611 0 40 FHAB NC(=O)COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1 140817249 VVKYNODSTPKZNK-UHFFFAOYSA-N 370.424 3.530 0 40 FHAB Cc1ccc(F)cc1NC(=O)c1cc2c(=O)n3ccccc3nc2s1 96347302 PCQUXCZIKODTIJ-UHFFFAOYSA-N 353.378 3.609 0 40 FHAB Cc1ccn(-c2ccccc2NC(=O)N2CCC(c3c[nH]nc3C)CC2)n1 585081513 PQAAHACVLNSSPF-UHFFFAOYSA-N 364.453 3.624 0 40 FHAB Cc1cc(NC(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)cc(C(N)=O)c1 626577618 FIJHFULSPZEETC-CQSZACIVSA-N 373.403 3.784 0 40 FHAB CC(C)CCOc1ccc(NC(=O)c2cc(F)cc3nn[nH]c23)c(F)c1 1640473829 ITRYWEUAYMTHSX-UHFFFAOYSA-N 360.364 3.913 0 40 FHAB C[C@H](NC(=O)N[C@H](C)C1CCC(F)(F)CC1)c1ccc2c(c1)OCO2 654361851 ZJNOEQKXAUGQBY-NEPJUHHUSA-N 354.397 3.990 0 40 FHAB Cc1ccc2c(CCNC(=O)N3CCC(c4ccon4)CC3)cn(C)c2c1 661047959 AENZGIHHIIIIKS-UHFFFAOYSA-N 366.465 3.606 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H]2NC(=O)OCc2ccccc2)C1 606242750 AYCRMAQBNMOQAX-OXQOHEQNSA-N 360.454 3.702 0 40 FHAB CCc1nc([C@H]2CCCCN2C(=O)c2cc3c(OC)ccc(F)c3[nH]2)no1 684445821 BYLXSKHCBQMQCW-CQSZACIVSA-N 372.400 3.628 0 40 FHAB CO[C@@H]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCC(C)C)C1 1750173166 HIIHWVKCBXSYNB-MRXNPFEDSA-N 367.497 3.708 0 40 FHAB Cc1nc(C2(NC(=O)Cc3cccc4cccnc34)CCCCCC2)no1 58264187 KDMQTXJREDMJKH-UHFFFAOYSA-N 364.449 3.835 0 40 FHAB CC(C)C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1cccs1 58226618 GHTOQWWOHLVWEF-MRXNPFEDSA-N 369.490 3.821 0 40 FHAB CCN(CC)C(=S)NC(=O)c1ccccc1OCCOc1ccccc1 12137516 DIQBQXICADCRGX-UHFFFAOYSA-N 372.490 3.501 0 40 FHAB Cc1ccc(C)c2c1cc(C(=O)Nc1cccc(Cn3cncn3)c1)n2C 19714550 QSRXZYXPMIQENA-UHFFFAOYSA-N 359.433 3.687 0 40 FHAB Cc1cccc(CN(CCc2ccccc2)Cc2cnn3cccnc23)n1 19715788 ODUXPZVHIXROSS-UHFFFAOYSA-N 357.461 3.678 0 40 FHAB CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 155577778 YDYGMRUSXHCETC-UHFFFAOYSA-N 360.332 3.581 0 40 FHAB CCCC(=O)NC(=S)Nc1ccc(Cl)c(-c2ccc(C(=O)O)o2)c1 226351161 QJKCSHZGAGEOFW-UHFFFAOYSA-N 366.826 3.911 0 40 FHAB O=C(NCCC1=CCCCC1)c1cnc(OC2CCOCC2)c(Cl)c1 244975132 ICYRRNCEJMAMSM-UHFFFAOYSA-N 364.873 3.913 0 40 FHAB COc1ccc(N2c3cccc[n+]3C[C@@]2(O)Cc2ccc(Cl)cc2)cc1 3197280 FWXCXYMAEJTHFO-NRFANRHFSA-N 367.856 3.719 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc3[nH]c4ccccc4n23)cc1C 3599178 PSKDGFSBMZZJFL-UHFFFAOYSA-N 351.435 3.558 0 40 FHAB CC[C@@H](C)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 7129706 GRKTZHCWGWPCKS-GHMZBOCLSA-N 365.524 3.930 0 40 FHAB CCN(C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1ccccc1 32516885 AOYQREPUTHGRLQ-UHFFFAOYSA-N 369.442 3.920 0 40 FHAB Cc1onc(C(C)C)c1C(=O)N1CCC[C@@](O)(COc2ccccc2)CC1 2037909353 WGGRZRCQHUVACT-NRFANRHFSA-N 372.465 3.543 0 40 FHAB O=C(c1ccccc1Cl)N1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037909377 YTNVZOTWSOLFAG-IBGZPJMESA-N 363.816 3.525 0 40 FHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccccc2)NC(=S)N1 5415181 SEAOPSCPAVQAPJ-SFHVURJKSA-N 351.475 3.735 0 40 FHAB Cc1cc(-c2nnc(NC(=O)c3ccc(Cc4ccccc4)cc3)o2)nn1C 11693818 SFFDWGJHQJEJHF-UHFFFAOYSA-N 373.416 3.622 0 40 FHAB CSc1ccccc1NC(=O)CCCn1nc(-c2ccco2)ccc1=O 11695854 GLEQQMTWUCVGEH-UHFFFAOYSA-N 369.446 3.644 0 40 FHAB CCOc1cc2c(cc1OCC)[C@@H](c1ccc(C(=O)OC)cc1)NCC2 20506962 AQYLPVYLPZDSNJ-HXUWFJFHSA-N 355.434 3.506 0 40 FHAB Cc1ccccc1C(=O)NC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 32307967 VASWKNRADWHTKE-UHFFFAOYSA-N 370.880 3.612 0 40 FHAB COC(=O)Cc1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O 9066899 YMHJTCYLFAOJLI-UHFFFAOYSA-N 372.218 3.673 0 40 FHAB CCN1CCC[C@@H]1CNC(=O)c1c(-c2c(F)cccc2Cl)noc1C 40160254 VBPFFZRYLVQOQE-GFCCVEGCSA-N 365.836 3.657 0 40 FHAB NC(=O)Nc1cccc(NC(=O)Cc2csc(-c3cccs3)n2)c1 30989136 ULTJPGIZZNCTAM-UHFFFAOYSA-N 358.448 3.543 0 40 FHAB CCc1nc2ccccc2c(=O)n1CC(=O)Nc1c(C)cccc1Cl 40478714 ZQDSXZVXPNCWJN-UHFFFAOYSA-N 355.825 3.559 0 40 FHAB COc1ccc([C@@H]2NC(=O)c3c(sc4c3CC[C@H](C)C4)N2)cc1OC 17083549 IWSKSOYUKYKOHA-DYZYQPBXSA-N 358.463 3.744 0 40 FHAB Cc1nc2cc(CCN3CCN(c4ccccc4Cl)CC3)ccc2[nH]1 1678353 KNLJAZCXOSPAHW-UHFFFAOYSA-N 354.885 3.889 0 40 FHAB Cc1ccc(N2C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=S)cc1Cl 2091103 SVESGGSVJOBQBX-QGZVFWFLSA-N 369.877 3.962 0 40 FHAB biogenic CN(C)[C@@H](CNC(=O)C1=C(c2ccccc2)SCCO1)c1cccs1 20739374 IIQVWWNFCAHIRC-HNNXBMFYSA-N 374.531 3.599 0 40 FHAB Cc1ccc(-c2csc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)n2)cc1 3893777 IYUWYFPSPMFUOT-CLWVCHIJSA-N 356.447 3.804 0 40 FHAB C[C@@H](NC(=O)c1ccccc1I)[C@H]1C[C@H]2CC[C@H]1C2 102186459 PTUYHISFNRTITL-OWTLIXCDSA-N 369.246 3.846 0 40 FHAB COc1ccc(C(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)cc1 6527609 GWCZWIJBSHPKRM-UHFFFAOYSA-N 374.487 3.595 0 40 FHAB CCOC(=O)CN1C(=O)S/C(=C/c2c(Cl)cccc2Cl)C1=O 6954669 FUXWNOBEKYJJBY-IZZDOVSWSA-N 360.218 3.593 0 40 FHAB O=C(OCc1nnc(-c2ccc(Br)s2)o1)c1ccco1 7197866 BWDSONOPKVFIST-UHFFFAOYSA-N 355.169 3.511 0 40 FHAB CCOc1ccc(S(=O)(=O)N(C)Cc2ccc(SC)cc2)cc1 7247443 KGTLJIUMFUQNEQ-UHFFFAOYSA-N 351.493 3.628 0 40 FHAB CCCCn1nnnc1NCc1ccc(OCc2ccccc2)c(OC)c1 7262151 JGODFHSSCLMQMG-UHFFFAOYSA-N 367.453 3.673 0 40 FHAB Cc1cc(C)c(C)c(OCC(=O)N(C)Cc2nc(-c3ccccc3)no2)c1 7759667 NOEKCMXMRUYBPN-UHFFFAOYSA-N 365.433 3.699 0 40 FHAB Cc1cccc2sc(NC(=O)C[C@H](C)NC(=O)c3ccccc3)nc12 21447374 UNKBZZYDBSIMCG-ZDUSSCGKSA-N 353.447 3.752 0 40 FHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 32869260 VYQGDCPCRJYZTO-GFCCVEGCSA-N 358.825 3.638 0 40 FHAB CSc1ccc(CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)cc1 8133302 KDQZJMNUMGEMTO-HXUWFJFHSA-N 354.475 3.852 0 40 FHAB COC(=O)c1cccc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)c1 8565385 ULIYLUBCTVMDKJ-UHFFFAOYSA-N 367.430 3.594 0 40 FHAB O=C(Nc1cccc(-n2cnnn2)c1)c1ccccc1Nc1ccc(F)cc1 32978550 LCNKZJUIUUXGOO-UHFFFAOYSA-N 374.379 3.797 0 40 FHAB CSc1ncccc1C(=O)NCCc1ccc(N2CCCCC2)cc1 32933089 PKEXKIHUCBTFLQ-UHFFFAOYSA-N 355.507 3.766 0 40 FHAB Cc1cc(NC(=O)[C@H](C)n2ccc(C(F)(F)F)n2)n(C2CCCC2)n1 28305762 JSJDZGZECPJVHY-NSHDSACASA-N 355.364 3.722 0 40 FHAB CCOc1ccc(C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc1OCC 59018161 PXMODOBJRDSWGB-CALCHBBNSA-N 362.514 3.582 0 40 FHAB COc1ccc([C@H](Nc2ncnc3sccc23)c2nccn2C)cc1 9115834 WZUCFQVYAGCRFI-HNNXBMFYSA-N 351.435 3.635 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)NCc2ccc(OCC(F)(F)F)cc2)c1 23440824 OZFBFZWTYMCQNY-UHFFFAOYSA-N 373.396 3.723 0 40 FHAB COCCn1c(C)cc(C2=Nn3cc(-c4ccccc4)nc3SC2)c1C 12535782 KMAAZICTHPQBIQ-UHFFFAOYSA-N 366.490 3.973 0 40 FHAB CSc1cccc(NC(=O)CNc2ccccc2N2CCCC2=O)c1 12565079 ODURCIDXIAJIJB-UHFFFAOYSA-N 355.463 3.586 0 40 FHAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(-n2ccnc2)cc1 20109134 DIJMWXUEWSKCDE-SFHVURJKSA-N 369.852 4.000 0 40 FHAB O=C(/C=C/c1ccc(Br)o1)NCCCOC1CCCCC1 24293169 KPHXZCOTVKLMPB-CSKARUKUSA-N 356.260 3.911 0 40 FHAB CC1(C)C(c2ccccn2)=[N+]([O-])[C@@H](c2ccc(Cl)cc2Cl)N1O 1297685 TZRNYKDNJLIXPA-OAHLLOKOSA-N 352.221 3.870 0 40 FHAB Cc1cccc2c(=O)n(CCCC(=O)Nc3cccc4cccnc34)cnc12 12690608 YZRJQCWXBNHSLW-UHFFFAOYSA-N 372.428 3.672 0 40 FHAB O=C(CC1(C(=O)O)CCCC1)Nc1ccc2c(c1)nc1n2CCCCC1 12632189 UEAWJCSCCBMLSE-UHFFFAOYSA-N 355.438 3.736 0 40 FHAB CCOC(=O)C1CCN(Cc2c(-c3ccccc3)nc3sccn23)CC1 57270766 RIDSZHNSQOSBGI-UHFFFAOYSA-N 369.490 3.838 0 40 FHAB CCCCn1c(SCC(=O)NCCC(C)C)nc2ccsc2c1=O 57478644 ZBZWFOAQRCYFLP-UHFFFAOYSA-N 367.540 3.513 0 40 FHAB COc1cc(OC)cc(OCC(=O)c2cc(C)n(-c3nccs3)c2C)c1 12789418 LHNFEGRGFDIGDW-UHFFFAOYSA-N 372.446 3.830 0 40 FHAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cc(C2CC2)n[nH]1 58214857 NRJZFGRHLOXEKN-UHFFFAOYSA-N 357.801 3.562 0 40 FHAB CCSc1ncc(Br)c(C(=O)Nc2ccc(OC)cc2)n1 27743151 PHCHKAOVESIMPP-UHFFFAOYSA-N 368.256 3.612 0 40 FHAB O=C(CCC(=O)c1ccccc1)Nc1ccccc1C(=O)N1CCCCC1 27917625 VLZLIWSHIXQMJY-UHFFFAOYSA-N 364.445 3.914 0 40 FHAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1c(C)nn(-c2ccccc2)c1C 10540728 PAYPBKCIVNKFSE-UHFFFAOYSA-N 372.432 3.631 0 40 FHAB O=C(Nc1nccs1)c1oc2ccccc2c1CSc1ncn[nH]1 3428952 DNJWYHBEBQXNEF-UHFFFAOYSA-N 357.420 3.552 0 40 FHAB CC(=O)NCc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1 12933126 QJIQATLAEMHCKA-UHFFFAOYSA-N 351.431 3.699 0 40 FHAB C[C@@H](NCc1ccccc1Cn1cccn1)C(=O)Nc1ccc2c(c1)CCC2 12974359 IOPYAYMWOYNSSO-QGZVFWFLSA-N 374.488 3.537 0 40 FHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1COc1ccccc1 13002410 ZLBQGNXPWSRJEI-UHFFFAOYSA-N 359.385 3.688 0 40 FHAB CCOc1ccc2nc(SCC(=O)NCc3ccc(F)cc3)[nH]c2c1 13284296 VSKXCRNAGFKYMT-UHFFFAOYSA-N 359.426 3.509 0 40 FHAB CC(=O)c1c(C)n(-c2ccc(C)cc2C)c2ccc(OCC(N)=O)cc12 4123731 QWAVUUWBLKRWLL-UHFFFAOYSA-N 350.418 3.622 0 40 FHAB CCN(Cc1ccccc1)C(=O)Cn1nnc(-c2ccc(C(C)C)cc2)n1 5087858 VWTNMZUHDURNAD-UHFFFAOYSA-N 363.465 3.512 0 40 FHAB Cc1ccc(-c2noc(COc3ccc4ccc(=O)oc4c3)n2)cc1F 14196451 PRRKPLGPFGXSRS-UHFFFAOYSA-N 352.321 3.870 0 40 FHAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCCc1ccccc1 14165972 NNAGQJPLKGZLNX-UHFFFAOYSA-N 354.431 3.874 0 40 FHAB COc1ccc([C@H]2NC(=O)c3c(sc4c3CC[C@@H](C)C4)N2)c(OC)c1 4525601 DFGHCXKBBXMIGR-QGHHPUGFSA-N 358.463 3.744 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nonc1-c1ccc(C)cc1 5451854 AZMRQZDIVREKBW-MRXNPFEDSA-N 355.369 3.980 0 40 FHAB Cc1cccc(C(=O)NCCOc2ccccc2)c1NC(=O)c1ccco1 14396228 IRUBQZGZSPYSGL-UHFFFAOYSA-N 364.401 3.649 0 40 FHAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CC=C(c2ccccc2)CC1 4673143 ABFHZUGHYHKMPD-NRFANRHFSA-N 362.473 3.757 0 40 FHAB O=C(Nc1cc2c(cc1Br)OCCO2)c1cccc(F)c1 6649325 CPDDFRISWLOBLF-UHFFFAOYSA-N 352.159 3.612 0 40 FHAB CC(=O)Nc1cccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1 6623460 YIZBQEAQUMPLHG-UHFFFAOYSA-N 359.234 3.753 0 40 FHAB CCCn1c(NC(=O)c2cc(OC)c(OC)cc2OC)nc2ccccc21 14626246 SETWUYIQFGQOIG-UHFFFAOYSA-N 369.421 3.724 0 40 FHAB CCOc1ccc(C(=O)[C@H](C)OC(=O)/C=C/c2ccc(O)c(OC)c2)cc1 5666582 VLQJWMMFMMLYTB-CYIWUNGXSA-N 370.401 3.627 0 40 FHAB COc1ccc(-c2ccc(CCC(=O)Nc3ccccc3C(N)=O)o2)cc1 15480639 HWHSEWYJBCJBSL-UHFFFAOYSA-N 364.401 3.625 0 40 FHAB Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)no2)cc1 15859718 FFCNYBQJCPVSRP-SFHVURJKSA-N 365.433 3.810 0 40 FHAB C[C@@H](Sc1nc([C@H]2CCCO2)n[nH]1)C(=O)Nc1ccc(F)cc1Cl 8940551 KBBPBFMPJCEQDI-PRHODGIISA-N 370.837 3.568 0 40 FHAB COc1ccc([C@@H]2CCCN2CC(=O)N2CCSc3ccccc32)cc1 16339271 JSVVZJBBFCUTNX-SFHVURJKSA-N 368.502 3.971 0 40 FHAB COC(=O)C[C@@H](NC(=O)CCC(=O)c1ccc(C)c(C)c1)c1ccccc1 8198257 ZJXVTRKTUPYPRZ-LJQANCHMSA-N 367.445 3.687 0 40 FHAB COc1ccccc1NC(=O)C1CCN(Cc2ccncc2Cl)CC1 81649212 JFSOZWMQHBENTQ-UHFFFAOYSA-N 359.857 3.594 0 40 FHAB Cc1c([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCCCC2)cnn1C 71280060 LXKQYYXWXCVVIR-AWEZNQCLSA-N 357.458 3.627 0 40 FHAB O=C(NCc1ccc(F)cc1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 8277514 AIIFPGHMPPIXNJ-KRWDZBQOSA-N 362.404 3.648 0 40 FHAB O=C(OCc1nc(-c2cccs2)no1)c1cc(Cl)c2c(c1)OCO2 8314590 MEACFONBPLXRTJ-UHFFFAOYSA-N 364.766 3.537 0 40 FHAB Cc1cc(C)c2oc(C(=O)/N=c3\[nH]c4ccc(F)cc4s3)cc(=O)c2c1 9329549 JBNVYBVFTPZIRE-UHFFFAOYSA-N 368.389 3.833 0 40 FHAB CN(C)C(=O)[C@H](Sc1nnc2sc3ccccc3n12)c1ccccc1 9322805 KKNNJUZEDWTWTM-OAHLLOKOSA-N 368.487 3.866 0 40 FHAB Fc1cccc(CN2CCN(Cc3ccc(Br)cc3)CC2)c1 19841200 WGUAVEFEZGCGLI-UHFFFAOYSA-N 363.274 3.906 0 40 FHAB CC(=O)c1cccc(NC(=O)N2[C@@H](CO)CSC[C@@H]2c2ccccc2)c1 72289133 ZFZUHDVECQWGRQ-RBUKOAKNSA-N 370.474 3.572 0 40 FHAB CCn1c(SCC(=O)Nc2ncc(C)s2)nnc1-c1ccc(C)cc1 409166384 DNYDHXNKHJTHEH-UHFFFAOYSA-N 373.507 3.769 0 40 FHAB CCOc1cc(CNC(=O)c2cn[nH]c2-c2cccc(C)c2)ccc1OC 72329151 TXMNBJKZGFDMAM-UHFFFAOYSA-N 365.433 3.722 0 40 FHAB O=C1[C@H](N2CCC(Nc3ccccc3)CC2)CCN1c1ccccc1F 84553395 FDXMUHHEGKGRIP-HXUWFJFHSA-N 353.441 3.508 0 40 FHAB O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)C1(Cc2ccccc2)CC1 75108385 UBICHOVJHPNVLZ-QGZVFWFLSA-N 363.379 3.878 0 40 FHAB Cc1ccc(C[C@H]2CCCN(C(=O)C(=O)Nc3cc(F)cc(F)c3)C2)cc1 89632202 JXWDPPZMDLUBDK-MRXNPFEDSA-N 372.415 3.693 0 40 FHAB Cc1c(C(=O)NCc2ccc(Cl)cc2Cl)cnn1-c1ccccn1 31874362 KQYMYNMKLSLZAV-UHFFFAOYSA-N 361.232 3.813 0 40 FHAB NC(=O)COc1ccccc1CNc1ccc(Br)c(Cl)c1 408555488 GBTQMKQHIAKFSB-UHFFFAOYSA-N 369.646 3.579 0 40 FHAB CC(=O)O[C@H]1N=C(c2ccccc2)c2cc(Br)ccc2N=C1O 1508684 FZOVXUXVQRFROW-QGZVFWFLSA-N 373.206 3.777 0 40 FHAB biogenic C[C@@H](Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)NCC(F)(F)F 71846703 PKDUZPRGAMMYAW-LLVKDONJSA-N 369.314 3.503 0 40 FHAB COc1cccc(-c2cccc([C@H]3CCCN(Cc4nccn4C)C3)n2)c1 72350002 ZSEDXYPPIKOCIA-SFHVURJKSA-N 362.477 3.870 0 40 FHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Br)c(OC)c1 72414360 SNQXNHRCEZFHEW-UHFFFAOYSA-N 370.268 3.673 0 40 FHAB CSc1cccc(NC(=S)Nc2ccc(S(C)(=O)=O)cc2)c1 71761412 FPHPRDLCMXIOHF-UHFFFAOYSA-N 352.506 3.621 0 40 FHAB C[C@H]1Cc2cccc3c(=O)c(C(=O)Nc4ccc5sncc5c4)cn1c23 225861604 MXFWKQPZJXGAPV-NSHDSACASA-N 361.426 3.981 0 40 FHAB COc1ccc(NC(=O)C2(C)COC(c3ccc(F)cc3)OC2)c(C)c1 225919970 DYMVPRJQPXALQA-UHFFFAOYSA-N 359.397 3.833 0 40 FHAB COc1ccc([C@@H](C)NC(=O)CCc2nc(-c3cccc(F)c3)no2)cc1 225801862 QKVIBAYERXFGIT-CYBMUJFWSA-N 369.396 3.694 0 40 FHAB COc1ccc(C(=O)NCCCN2c3ccccc3C[C@@H]2C)cc1Cl 223303599 XSSASWQCTPGHDW-AWEZNQCLSA-N 358.869 3.920 0 40 FHAB CC(C)CNC(=S)Nc1nc(Cl)cc(N2Cc3ccccc3C2)n1 225893505 JHYLXTLIRYHQCL-UHFFFAOYSA-N 361.902 3.593 0 40 FHAB O=S(=O)(Cc1cc(F)ccc1F)N1CCC(c2cccs2)CC1 75157191 PSKSXIDKQLXXFR-UHFFFAOYSA-N 357.447 3.736 0 40 FHAB Cc1onc(CN2CCc3sccc3[C@H]2c2cccs2)c1C(=O)O 572169081 ZEDLYBSEOOKPHW-INIZCTEOSA-N 360.460 3.952 0 40 FHAB CN1CCN(C(=O)c2ccc(Cl)cc2)c2ncc(C(F)(F)F)cc21 91695719 UHHPRXZCCQCAJM-UHFFFAOYSA-N 355.747 3.850 0 40 FHAB COc1ccc(CN2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)cc1 96051155 MDDAPVNHNAKFCS-HXUWFJFHSA-N 373.447 3.828 0 40 FHAB C[C@@H]1OCCN(C(=O)c2cc(C3CC3)nc3ccccc23)[C@@H]1C(F)(F)F 622985305 SWJDUIJSBRBHHZ-GTNSWQLSSA-N 364.367 3.904 0 40 FHAB O=C(Cn1ccc2ccccc21)N1[C@H]2CC[C@H]1CC(Oc1ccccn1)C2 390831180 QHULIZHXZGHXQR-ROUUACIJSA-N 361.445 3.637 0 40 FHAB O=C(CCSc1ccccc1)N1CC[C@@H](Oc2ccncc2Cl)C1 575413966 ZKEJUOWPFFVFSZ-CQSZACIVSA-N 362.882 3.897 0 40 FHAB Cc1csc(SCc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)n1 63416031 JHQRFDJQISHDAW-UHFFFAOYSA-N 370.500 3.887 0 40 FHAB O=C([C@H]1COc2ccc(Br)cc21)N(CC1CC1)c1cccnc1 95976243 CSNLRGXNQPITAZ-INIZCTEOSA-N 373.250 3.763 0 40 FHAB Cc1csc(Cl)c1NC(=O)NCc1c(C(F)(F)F)cnn1C 1616042677 NIJHZDQDNBPCDH-UHFFFAOYSA-N 352.769 3.784 0 40 FHAB CC(=O)Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@@H](c1ccccc1)N2 5149695 JBUSEZCASRHPEY-DLBZAZTESA-N 351.385 3.522 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)Cc1c(F)cccc1Cl 5632747 UFSIIORQFPADDG-UHFFFAOYSA-N 350.777 3.627 0 40 FHAB CC(=O)N(c1ccccc1)c1nc(COC(=O)c2ccccc2O)cs1 5783611 JISIKOWHXBXWEZ-UHFFFAOYSA-N 368.414 3.890 0 40 FHAB O=C(Nc1ccc(N2CCCC2=O)cc1)[C@@H]1COc2ccc(Cl)cc2C1 12767863 NUQSMMGCFYBHFA-AWEZNQCLSA-N 370.836 3.657 0 40 FHAB COc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2)Nc2nc(N)nn21 13127566 XRXXLNJDHFEFHF-GJZGRUSLSA-N 355.829 3.669 0 40 FHAB Cn1nc2c(c1C(=O)Nc1ccc(N3CCCCC3)c(F)c1)CCCC2 19288672 LEKULODYKZAALV-UHFFFAOYSA-N 356.445 3.681 0 40 FHAB COC(=O)c1c(C)nc2ccn(-c3ccncc3)c(=O)c2c1-c1ccccc1 19962843 JDAZJJGYYQBDKQ-UHFFFAOYSA-N 371.396 3.543 0 40 FHAB O=C(Nc1ccc(F)cc1)N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 206789584 DKFQFXLOJRJKAI-AWEZNQCLSA-N 368.334 3.640 0 40 FHAB COc1cccc(/C=C/C(=O)N(CC(F)(F)F)[C@H](C)C2CC2)c1OC 6880366 DKGIROLBPOWCCK-BZYZDCJZSA-N 357.372 3.906 0 40 FHAB CN(C)CCN(C(=O)CCOc1ccccc1)c1nc2ccccc2s1 4585278 QMOSMKCPHINJJG-UHFFFAOYSA-N 369.490 3.660 0 40 FHAB O=C(COc1ccccc1Cl)Nc1sc2c(c1C(=O)O)CCCC2 4622361 DXWXYIGBRMUVJB-UHFFFAOYSA-N 365.838 3.996 0 40 FHAB CC(C)(C)c1ccc(C(=O)N2CCC[C@H](Oc3ncc(F)cn3)C2)cc1 575612249 KJIYCABXHISTMB-KRWDZBQOSA-N 357.429 3.597 0 40 FHAB C[C@@H](Cc1csc2ccccc12)NC(=O)[C@@H]1COc2ccccc2O1 585150713 BCLJESLESCIKEG-UGSOOPFHSA-N 353.443 3.789 0 40 FHAB CC[C@H](C)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 15968002 HZPFSRUNQYWHBA-DRWCTHJISA-N 373.456 3.553 0 40 FHAB biogenic COc1ccc(OCCNC(=O)N[C@@H]2CCSc3ccccc32)cc1 40068770 IKFKYSRURSAXRJ-QGZVFWFLSA-N 358.463 3.610 0 40 FHAB CO[C@H](C(=O)Nc1cccc(CN2CCCCC2=O)c1)c1ccccc1 50473895 RVSGYASPUZQJNZ-FQEVSTJZSA-N 352.434 3.525 0 40 FHAB Cc1ccc(NC(=O)CCn2nc(-c3cccs3)oc2=O)cc1Cl 11427587 SUXNXVXAVOMYGA-UHFFFAOYSA-N 363.826 3.555 0 40 FHAB Cc1nc(C2(NC(=O)Cc3cccc(C(F)(F)F)c3)CCCCC2)no1 29057863 KMFGZGJJVPHFIN-UHFFFAOYSA-N 367.371 3.915 0 40 FHAB CC(C)c1ccc2c(c1)CCCN2C(=O)C[C@@H](NC(N)=O)c1cccs1 59896991 LHRJOGBMRGSTCT-MRXNPFEDSA-N 371.506 3.950 0 40 FHAB COc1ccccc1C(=O)Nc1cnc(NC(=O)c2ccccc2)cc1C 1352995 XHEQTWXOFLNZCI-UHFFFAOYSA-N 361.401 3.903 0 40 FHAB COC(=O)c1c(C(=O)OC)c(Nc2ccccc2)c2ccccc2c1O 1583632 RGAZLAYSJCBGFR-UHFFFAOYSA-N 351.358 3.862 0 40 FHAB CC(C)[C@H](NC(=O)[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O 1652119 NGWNHPCBHQIISN-MADCSZMMSA-N 368.644 3.640 0 40 FHAB CCCCCCOc1ccc([C@@H]2C(C(=O)OC)=C(C)Nc3ncnn32)cc1 4071190 XWUMEWSMOMRZHJ-GOSISDBHSA-N 370.453 3.699 0 40 FHAB O=C(COC(=O)/C=C/c1ccc(Cl)cc1)Nc1ccc(Cl)cn1 2622748 SGHTVOXZFNPKNU-FPYGCLRLSA-N 351.189 3.584 0 40 FHAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3c(C)cccc3CC)ccc21 4884513 KIJAJUUHPHCQKG-UHFFFAOYSA-N 372.490 3.657 0 40 FHAB CCCCOc1ccc(-c2nc(NC(=O)COc3ccccc3)no2)cc1 32624186 GZGANMUZLBHKJE-UHFFFAOYSA-N 367.405 3.933 0 40 FHAB O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2cccc(O)c2)cs1 6681684 MVXCVBDRVVSMSH-UHFFFAOYSA-N 374.443 3.507 0 40 FHAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1nnc(C2CC2)s1 21355386 PXRALCLQRGMSPG-MRVPVSSYSA-N 368.256 3.584 0 40 FHAB O=C(COCc1nc2ccccc2s1)NC12CC3CC(CC(C3)C1)C2 32740536 GFZHLRAFSOUFLM-UHFFFAOYSA-N 356.491 3.898 0 40 FHAB COc1cc(C(=O)O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 7604163 SFOSSXLMHUVGMV-UHFFFAOYSA-N 370.188 3.718 0 40 FHAB COc1ccccc1CC(=O)Nc1ccc(-n2cnc3ccccc32)nc1 32796658 YTIZJBBABMEZPR-UHFFFAOYSA-N 358.401 3.610 0 40 FHAB O=C(O)[C@H]1CCCN1C(=O)C12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 100748497 SBZXMZAPYVGYQB-KMPCDSFQSA-N 353.462 3.600 0 40 FHAB Cc1cccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(C)c2C)c1 8413232 KOIJWXOGIXQSHC-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB Cc1ccc(C(=O)O[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)o1 32869142 GZKQSVMEGQOAPU-CYBMUJFWSA-N 362.451 3.956 0 40 FHAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3nnc(CC(C)C)s3)c12 21747424 OMPPCHPSOHKWGG-UHFFFAOYSA-N 372.498 3.702 0 40 FHAB COc1ccc(-c2csc(C3=C(O)CN(C4CC4)C3=N)n2)cc1OC 102721204 WYLLWGLMEVOAPD-UHFFFAOYSA-N 357.435 3.552 0 40 FHAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(N)=O 57313612 SXDVUWDWCQYFCG-UHFFFAOYSA-N 354.450 3.879 0 40 FHAB O=c1c2cc(Cl)ccc2nc2n1CC/C2=C\c1ccc2c(c1)OCCO2 96759127 VJKASBGHRZZDKO-UKTHLTGXSA-N 366.804 3.765 0 40 FHAB CCOc1c(Br)cc(/C=C/C(=O)O)cc1Br 12394662 QDJYPFIYKZTBIQ-ONEGZZNKSA-N 350.006 3.708 0 40 FHAB COc1ccc2oc(C(=O)OCC(=O)N(C)c3ccccc3)c(C)c2c1 23074724 DPYVAIVNHMEOHS-UHFFFAOYSA-N 353.374 3.570 0 40 FHAB CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1cccc(C(=O)O)c1 948640 OOWUONFRORFPAO-UHFFFAOYSA-N 366.373 3.862 0 40 FHAB biogenic CC(C)/N=c1\ccccn1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 104721979 MHZNFFLSXCWATI-HEHNFIMWSA-N 355.438 3.833 0 40 FHAB COc1cc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)ccc1O 12407590 DPAGKLKMLGKKQY-UHFFFAOYSA-N 352.419 3.599 0 40 FHAB COC(=O)c1c(NC(=O)c2ccc(-c3nc(C)no3)cc2)sc(C)c1C 42649127 TXZUNKBTXAKYSY-UHFFFAOYSA-N 371.418 3.762 0 40 FHAB Cc1cccc(Cn2cc(Br)c(NC(=O)c3ccccn3)n2)c1 27917501 WFGXTCDNPWLGRH-UHFFFAOYSA-N 371.238 3.650 0 40 FHAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 25106829 GAIWYKHTRCENNQ-XIKOKIGWSA-N 374.820 3.857 0 40 FHAB CC(=O)c1ccc(C(=O)N(C)Cc2nc3ccccc3n2C(F)F)s1 12525658 LZFRDODATZRTKO-UHFFFAOYSA-N 363.389 3.968 0 40 FHAB O=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N1Cc2ccccc2C1 105975989 KAHAEQBTKDSALK-UHFFFAOYSA-N 355.459 3.559 0 40 FHAB COc1ccccc1N1CCN(C(=O)C(C)(C)Oc2cccc(C)c2)CC1 20408350 UYOYKHHDORBCDC-UHFFFAOYSA-N 368.477 3.510 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)c1cn(-c2ccccc2Cl)nn1 57511539 ODYPQPLKMOEGRL-CQSZACIVSA-N 354.841 3.672 0 40 FHAB O=C(CCc1nc(-c2cccnc2)no1)Nc1ccc(-c2ccccc2)cn1 58023957 QCFSLGJCUNYNHA-UHFFFAOYSA-N 371.400 3.765 0 40 FHAB COCc1nc(C(=O)O[C@H](C)c2nc3ccccc3n2C(F)F)cs1 58168632 PUBIDWHHIRHVHD-SECBINFHSA-N 367.377 3.952 0 40 FHAB Cc1cccc(N2CCN(C(=O)[C@@H]3Cc4ccc(C)cc4S3)CC2)c1 10262525 XTXTUBLMKMNDKP-FQEVSTJZSA-N 352.503 3.669 0 40 FHAB CN(Cc1ccccc1)Cn1nc(-c2ccncc2)n(C2CC2)c1=S 8053237 DFXHITGNEBQHBH-UHFFFAOYSA-N 351.479 3.900 0 40 FHAB Cc1ccc(NC(=O)c2cccc(NC(=O)CCn3ccnc3)c2)cc1F 58227351 WOEPLRMCLWEBII-UHFFFAOYSA-N 366.396 3.612 0 40 FHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(Cl)cc1 8012832 BGCFWUZIRQPIIP-UHFFFAOYSA-N 356.813 3.631 0 40 FHAB CC(C)CNC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 2146836 RCKWSPWWYFKNCW-UHFFFAOYSA-N 351.402 3.611 0 40 FHAB biogenic CC(=O)Nc1cccc(-c2nnc(SCc3ccc(F)cc3)n2C)c1 2205572 BUKGKEUFLXCCQS-UHFFFAOYSA-N 356.426 3.872 0 40 FHAB COc1ccc2[nH]c3c(N4CCN(C5CCCCC5)CC4)ncnc3c2c1 2287593 CMYQURBIWTYYEG-UHFFFAOYSA-N 365.481 3.574 0 40 FHAB Nc1c(Cl)cc(NC(=O)Cn2ccc(=O)c3ccccc32)cc1Cl 58419050 HXGWWLRRIPCPGN-UHFFFAOYSA-N 362.216 3.529 0 40 FHAB Cc1ccc(Cn2nccc2NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 28403663 KEGSKLUAYFFLRX-HNNXBMFYSA-N 353.397 3.785 0 40 FHAB CC(C)CN1CCC(NC(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)CC1 45463239 LEEYKRUXTNQZID-AWEZNQCLSA-N 369.456 3.769 0 40 FHAB CCOc1ccc(-c2nnc3sc(COc4ccccc4)nn23)cc1 2415038 KQQLJDWDKBUOKE-UHFFFAOYSA-N 352.419 3.831 0 40 FHAB COc1ccccc1OCC(=O)N1CCC(c2nc3ccccc3o2)CC1 8673440 RGGJBFRONDHRFI-UHFFFAOYSA-N 366.417 3.621 0 40 FHAB CCCCOc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1 3332467 MMNAHBJYMITAEC-UHFFFAOYSA-N 362.813 3.709 0 40 FHAB COc1cccc2cc(C(=O)Nc3ccc4nc(C)sc4c3)c(=O)oc12 12880501 RTBYBDWTEQKJEC-UHFFFAOYSA-N 366.398 3.972 0 40 FHAB Cc1ccc([C@]2(C)NC(=O)N(CCCOc3cc(C)cc(C)c3)C2=O)cc1 12982704 WVEPGLBDVMNCPO-QFIPXVFZSA-N 366.461 3.848 0 40 FHAB COC(=O)c1cc(NC(=O)Cc2nc(-c3cccs3)oc2C)ccc1F 12920829 GEQIRVMGHMXBCL-UHFFFAOYSA-N 374.393 3.818 0 40 FHAB C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)Nc1ccc2c(c1)OCO2 8234154 BCXVGXBSHZSRQY-NSHDSACASA-N 369.402 3.585 0 40 FHAB CCc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(OC)cc2)cc1 3893577 BXZZXTQPIGOMEJ-GOSISDBHSA-N 363.504 3.694 0 40 FHAB CC[C@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1cccc(OC)c1 3895986 TVHHQFZTTUWSAZ-ICIBYLBGSA-N 360.498 3.991 0 40 FHAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc21 64946804 DBGOXSDVBVLMLV-UHFFFAOYSA-N 368.867 3.537 0 40 FHAB Cn1c([C@H]2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21 4033462 WRBVKLPIDMNPJE-LBPRGKRZSA-N 370.250 3.856 0 40 FHAB O=C1CC[C@@H](C(=O)n2ccnc2)[C@@H](c2ccccc2)N1C1CCCCC1 4023734 QUORYNSIBVXYBT-UYAOXDASSA-N 351.450 3.836 0 40 FHAB Cc1cc(Cl)c(C)c(S(=O)(=O)NCCCOC(C)C)c1Cl 8448879 HOUXFOGOHWZJGV-UHFFFAOYSA-N 354.299 3.704 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cnc3c(Cl)cccc3c2O)c1 13725842 OJDNINZKKGNTAL-UHFFFAOYSA-N 358.781 3.863 0 40 FHAB CN(Cc1ccccc1N1CCCC1)C(=O)c1cc(-c2ccco2)[nH]n1 65522023 BMQHPYYOKNVAAY-UHFFFAOYSA-N 350.422 3.542 0 40 FHAB Cc1cc(C)c(/C=C/C(=O)NCc2ccc(-n3ccnc3C)nc2)cc1C 65728116 HNOASDKNDXETRL-SOFGYWHQSA-N 360.461 3.831 0 40 FHAB CC[C@@H](Oc1ccccc1)C(=O)NCCc1c[nH]c2ccc(OC)cc12 4731626 NBEDCBMPVPDHJK-HXUWFJFHSA-N 352.434 3.693 0 40 FHAB C[C@H]1CCN(C(=O)COC(=O)c2cccc(F)c2)c2ccccc2S1 5631808 GWBPYDPFYRJHFX-ZDUSSCGKSA-N 359.422 3.900 0 40 FHAB Cc1c(Br)ccc(NC(=O)COC(=O)c2cccs2)c1C 4942075 ZPNDIBWCIPYNJR-UHFFFAOYSA-N 368.252 3.923 0 40 FHAB C[C@H](NCc1ccc2c(c1)n(C)c(=O)n2C)C12CC3CC(CC(C3)C1)C2 4993734 WNYJDWDAJPOGKP-DFLMZXFUSA-N 353.510 3.572 0 40 FHAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1 6975974 JCYMYUSYZSOHDE-UHFFFAOYSA-N 360.816 3.644 0 40 FHAB COc1cc(C(=O)NCCCOC2CCCCC2)cc(Cl)c1OC 6989076 GKVHRXKATOKZFH-UHFFFAOYSA-N 355.862 3.826 0 40 FHAB Cc1cccc(N2CCN(C(=O)CSc3ccccc3F)C[C@@H]2C)c1 5939211 AVJPPJBBICDTCK-INIZCTEOSA-N 358.482 3.964 0 40 FHAB C[C@@H](C(=O)NC1CCCCC1)N(C)CC(=O)Nc1cccc2ccccc12 7267757 IDBUAMXNSINLNM-INIZCTEOSA-N 367.493 3.548 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)Cc1c[nH]c2ccccc12 15685968 GLRHKLCCSPUVKU-AWEZNQCLSA-N 366.417 3.598 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)c1C 7426845 CBOSJYLZXICGNM-UHFFFAOYSA-N 373.796 3.895 0 40 FHAB Cc1ccc([C@H](CNC(=O)COc2ccccc2)N2CCC(C)CC2)o1 15860287 YACUFLXENSJFFS-IBGZPJMESA-N 356.466 3.556 0 40 FHAB CC1CCN(C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)CC1 7504441 QFZBWBASJOWTNS-UHFFFAOYSA-N 356.297 3.967 0 40 FHAB Cc1cccc(NC(=O)CN(C)[C@@H](C)c2nc(-c3ccccc3)no2)c1C 9387775 AEWCHGWXZSNFPD-INIZCTEOSA-N 364.449 3.985 0 40 FHAB CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3ccccc3C)n2)o1 9478220 ZKQFOQOFNRNQMO-UHFFFAOYSA-N 369.446 3.529 0 40 FHAB O=c1cc(CSC2=N[C@@H]3CCCC[C@H]3N2)c2cc3c(cc2o1)CCC3 9482049 MOJJVLQAVULOLV-IAGOWNOFSA-N 354.475 3.785 0 40 FHAB Cc1cccc(NC(=O)Cc2nc(-c3ccc4[nH]c(=O)oc4c3)cs2)c1 9456168 VTSVQUIYYPQWIE-UHFFFAOYSA-N 365.414 3.734 0 40 FHAB CCCC[C@H](c1nnnn1C(C)(C)CC)N1CCN(C2CCCC2)CC1 20139881 USCVMZWOGMMWTF-GOSISDBHSA-N 362.566 3.610 0 40 FHAB Oc1ccc(N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 22957333 GBUOCYNHMAJPHP-UHFFFAOYSA-N 352.356 3.613 0 40 FHAB O=C(Nc1cccc(COC2CCCCC2)c1)[C@@H]1CCc2nccn2C1 97165145 CLEABEBBVYCXMH-QGZVFWFLSA-N 353.466 3.934 0 40 FHAB Cc1nn(-c2ccc(NC(=O)c3cccnc3Cl)cn2)c(C)c1Cl 72404446 CDNVFVWCXGOWBW-UHFFFAOYSA-N 362.220 3.838 0 40 FHAB CS[C@@H](C)CNC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 84638324 VPBRETBDIPLYHB-NSHDSACASA-N 353.875 3.580 0 40 FHAB CCCC(=O)N1CCC(OC(=O)c2scnc2C2CCCC2)CC1 95940369 UBOSZNVSYBYPGY-UHFFFAOYSA-N 350.484 3.749 0 40 FHAB C[C@H](NC(=O)CCc1ccccc1)c1cc(F)ccc1N1CCC(O)CC1 75092860 BEGWXCMPYSGWRL-INIZCTEOSA-N 370.468 3.597 0 40 FHAB COC(=O)c1ccc(C)c(-c2ccc(/C=C3\SC(=O)N(C)C3=O)o2)c1 408811835 AQSZKFFGHKEBQB-DHDCSXOGSA-N 357.387 3.708 0 40 FHAB Cc1cc(C)cc(N([C@H](C)C(=O)Nc2cc(C)ccc2C)S(C)(=O)=O)c1 409380925 JXXGHGISKVJYRY-QGZVFWFLSA-N 374.506 3.713 0 40 FHAB CCn1cc(CN2CCC[C@H]2c2ncn3cc(-c4cccnc4)ccc23)cn1 306132080 KXQSNIYUTFEHPZ-FQEVSTJZSA-N 372.476 3.950 0 40 FHAB O=C(c1cccc(F)c1)N1N=C(C2CCCCC2)C[C@]1(O)C(F)(F)F 409113332 HLYWFOFICXVKHD-INIZCTEOSA-N 358.335 3.859 0 40 FHAB CCOc1ccccc1NC(=O)/C=C/c1ccc(OC)c(OC)c1OC 33739136 LNVSCZRYZPLWBV-ACCUITESSA-N 357.406 3.763 0 40 FHAB Cc1ccc(-c2nc(N3CCCCC3)sc2C(=O)N2CCOCC2)cc1 36293472 RAKGVYDFOMEIHK-UHFFFAOYSA-N 371.506 3.581 0 40 FHAB Cc1ccc2[nH]cc(C(=O)CN3CCN(c4ccc(F)cc4)CC3)c2c1 35439893 JFGRGORVDASHME-UHFFFAOYSA-N 351.425 3.620 0 40 FHAB Cc1ccccc1CN1CCC[C@H]1c1cncc(Nc2nncs2)n1 72376310 BFRRNVXXZOHTNA-INIZCTEOSA-N 352.467 3.717 0 40 FHAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(N(C)C)nc2)cc1 32277631 RFBKCMNZPKIOJL-LJQANCHMSA-N 353.466 3.914 0 40 FHAB COc1ccccc1Oc1nccnc1C1CCN(C(=O)C(C)C)CC1 72361919 WFPDHUPVJKHWEY-UHFFFAOYSA-N 355.438 3.640 0 40 FHAB O=C(CC(c1ccccc1)c1ccccc1)NCCC(=O)Nc1ccccn1 45829860 OUWHEOWQLAJDJU-UHFFFAOYSA-N 373.456 3.749 0 40 FHAB CCCO[C@@]1(C(=O)Nc2ccc(OC)c(C(=O)OC)c2)CCC[C@H](C)C1 225853268 HDWRDKPXQVTHST-XOBRGWDASA-N 363.454 3.796 0 40 FHAB CCO[C@@](C)(C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1)C1CC1 225835666 AWLDPRBPFDEVQD-ZUOKHONESA-N 363.454 3.794 0 40 FHAB CCn1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3ccc(C)cc3)ccc21 225102277 TVGXOWBJUJSLAL-CYBMUJFWSA-N 356.447 3.797 0 40 FHAB CCCCOc1ccc(NC(=O)C(C)(C)OCC)cc1C(=O)OCC 225813904 RUBWLTKQBAYPBW-UHFFFAOYSA-N 351.443 3.796 0 40 FHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 225002736 JGCWITXOLSLFRW-RTBURBONSA-N 366.505 3.870 0 40 FHAB CCOc1ccc(C(=O)N[C@H](C)COc2ccccc2OC)cc1Cl 225159725 SWMIWCKGZAMVMU-CYBMUJFWSA-N 363.841 3.945 0 40 FHAB CCOC(C)(C)C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1 225647817 XLABUFNTSCBZLZ-QGZVFWFLSA-N 362.514 3.941 0 40 FHAB COc1ccc(-c2cnc(CCC(=O)NC3CCCCC3)o2)c(OC)c1 224865167 KRAVSFSJSPRKII-UHFFFAOYSA-N 358.438 3.740 0 40 FHAB O=C(Cc1cc2ccccc2c(O)n1)NC1[C@H]2CC[C@H]1Cc1ccccc1C2 576197243 FREKZOIOSFSNGH-OALUTQOASA-N 372.468 3.793 0 40 FHAB c1ccc(-c2cnc3n2CCNC32CCN(Cc3cccs3)CC2)cc1 96037097 OUHORFSKKKPQFH-UHFFFAOYSA-N 364.518 3.706 0 40 FHAB COc1ccc(CN2CCC3(CC2)C(=O)N(C)C[C@H]3c2ccccc2)cc1 96100291 KOBACNAFXYSRGS-NRFANRHFSA-N 364.489 3.533 0 40 FHAB CC(C)c1cc(C(=O)NCc2ccc(F)cc2)nc(N2CCCCC2)n1 96101132 IPDMQDYQFKHCPR-UHFFFAOYSA-N 356.445 3.659 0 40 FHAB O=C(c1cncs1)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 257308286 TWEDRNCLMRIYRG-HNNXBMFYSA-N 353.447 3.742 0 40 FHAB Cc1cc(-c2nccn2C)nc([C@@H]2CCCN2Cc2ccc(F)cc2)n1 257299779 RROBLIFBQRVERG-SFHVURJKSA-N 351.429 3.662 0 40 FHAB O=C(COc1ccccc1F)N1CCC(CSCc2ccco2)CC1 85472426 AMCICRYOHUUVJM-UHFFFAOYSA-N 363.454 3.970 0 40 FHAB Cn1c(C(=O)Nc2cccc([S@@](C)=O)c2)ccc1-c1ccc(F)cc1 110938666 IRMUXDWHMYJLFA-VWLOTQADSA-N 356.422 3.821 0 40 FHAB O=C(NC[C@H](c1ccsc1)n1cccn1)c1ccc2ncsc2c1 575612676 BVTDTQXIKIVJGJ-OAHLLOKOSA-N 354.460 3.574 0 40 FHAB Cc1ccc(CN2CC3(CC[C@H](CN(C)Cc4cccnc4)CO3)C2)s1 585105341 UKDQCYOGZVLIJH-LJQANCHMSA-N 371.550 3.565 0 40 FHAB Cc1ccc(N2CCC[C@@H](C(=O)N3c4ccc(F)cc4CC[C@@H]3C)C2)nn1 585234398 PNDNWQJWBCCUGH-DOTOQJQBSA-N 368.456 3.508 0 40 FHAB CCC[C@@H](NC(=O)c1ccc2nc(C)[nH]c2c1)c1ccc2c(c1)OCCO2 12147454 XXKXVCMJABMKBR-MRXNPFEDSA-N 365.433 3.914 0 40 FHAB COc1cc2c(cc1OC)[C@H](C)N([C@@H]1CCCN(C(=O)CC(C)C)C1)CC2 12232921 BXLVLBPVMABBGJ-FUHWJXTLSA-N 374.525 3.660 0 40 FHAB Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(F)cc3)CC1)O2 12293755 MCZKOYYYOZMNKA-UXHICEINSA-N 371.452 3.518 0 40 FHAB Cc1ccc(-n2nnnc2SCCC(=O)Nc2cccc(Cl)c2)cc1 12789482 FYCKMFSUMCBRCZ-UHFFFAOYSA-N 373.869 3.745 0 40 FHAB O=c1cc([C@H]2CCCCN2Cc2ccccc2F)nc(-c2ccncc2)[nH]1 19349098 UCXFAYZYHZYCSL-LJQANCHMSA-N 364.424 3.698 0 40 FHAB CN1CCc2nc([C@@H]3CCCCN3Cc3ccccc3Cl)ncc2C1 19590348 QYYRBQWKPSLHOL-IBGZPJMESA-N 356.901 3.845 0 40 FHAB CCSc1nnc(CNC(=O)c2ccc(OC)cc2)n1C1CCCCC1 4087402 PBVYWLBEWLOJIA-UHFFFAOYSA-N 374.510 3.834 0 40 FHAB Cc1cc(O)c(-c2c(-c3ccccc3)oc3cc(C)oc(=O)c23)c(=O)o1 524730033 RYKOUHSOHWQXRE-UHFFFAOYSA-N 350.326 3.996 0 40 FHAB biogenic Brc1csc(CN2CC[C@H]3CN(c4ccccn4)C[C@H]32)c1 1889102957 PXQVAQQWPMLCBT-SWLSCSKDSA-N 364.312 3.616 0 40 FHAB NC(=O)Nc1ccc(C(=O)OCc2csc(-c3ccsc3)n2)cc1 15340350 KMWLZVZMXBGVDI-UHFFFAOYSA-N 359.432 3.719 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc(F)cc2)cc1 26311031 WYQRHSOESXESQB-HNNXBMFYSA-N 364.486 3.707 0 40 FHAB COc1cccc(NC(=O)N2CCC(COc3ccnc(C)c3)CC2)c1 1775995063 WLYVWPUYJXRWAN-UHFFFAOYSA-N 355.438 3.722 0 40 FHAB O=C(Nc1cccc2ccccc12)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4374189 HXDOMMHHDNEFLS-INIZCTEOSA-N 363.392 3.906 0 40 FHAB Cc1ccccc1OCC(=O)NCCc1csc(-c2ccc(F)cc2)n1 5137413 SKJHMDDHXSWKHP-UHFFFAOYSA-N 370.449 3.995 0 40 FHAB O=C(Nc1cc(F)ccc1F)c1cccn(Cc2ccccc2F)c1=O 5270402 CINYJCCQUAGJNZ-UHFFFAOYSA-N 358.319 3.566 0 40 FHAB O=C1Nc2ccccc2Oc2ccc(NS(=O)(=O)c3ccccc3)cc21 8961201 YEUSQQAINSQDER-UHFFFAOYSA-N 366.398 3.845 0 40 FHAB COc1cccc(C(=O)Nc2ccc(Nc3cc(OC)nc(C)n3)cc2)c1 12225203 KXDPPQRJMDBICG-UHFFFAOYSA-N 364.405 3.798 0 40 FHAB C[C@H]1CC[C@H](C(=O)N2CCC3(CC2)C[C@@H](OCc2cccnc2)CO3)CC1 2055837497 QEHNLKJYZPLESG-MISYRCLQSA-N 372.509 3.575 0 40 FHAB c1ccc2nc(N3CCC(N4CCc5sccc5C4)CC3)cnc2c1 1775970135 CNTBYRQEEGDPNJ-UHFFFAOYSA-N 350.491 3.718 0 40 FHAB CCOC(=O)c1c(NCc2ccccc2)c2ccc(Cl)cc2[nH]c1=O 49001518 QRXRMHLYPCQTFA-UHFFFAOYSA-N 356.809 3.970 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1F 40059006 HOXASFDOAUNFRJ-XLIONFOSSA-N 363.436 3.885 0 40 FHAB O=C(c1ccc(F)cc1)C1CCN(C(=S)NCCc2ccccc2)CC1 1336853 JRNFIWGPVGGTQL-UHFFFAOYSA-N 370.493 3.838 0 40 FHAB Brc1ccccc1CSc1nnnn1Cc1ccccc1 16447838 GXFNEQMCPWBIMX-UHFFFAOYSA-N 361.268 3.776 0 40 FHAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1C 6225871 UQDOPPYXYKJBFD-UHFFFAOYSA-N 370.453 3.914 0 40 FHAB O=C(O)c1c(C[C@H](Cc2ccc3c(c2)CCC3)C(=O)O)ccc2c1CCC2 6513393 GGQQTWKCZLHUPJ-IBGZPJMESA-N 364.441 3.848 0 40 FHAB Cc1cccc(-c2noc(CNC(=O)COc3cccc4ccccc34)n2)c1 7759276 ZXEVDOYVQYLGSC-UHFFFAOYSA-N 373.412 3.893 0 40 FHAB CCC[C@H](C)C(=O)Nc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1 59307078 SRSNDSSFSOXMAG-AWEZNQCLSA-N 365.433 3.660 0 40 FHAB Cc1cnc2c(S(=O)(=O)NCc3ccc(OC(C)C)cc3)cccc2c1 32808858 NIHITQLKHMZLHE-UHFFFAOYSA-N 370.474 3.809 0 40 FHAB COc1ccc(S(=O)(=O)NCCSCc2ccccc2C)cc1C 8571144 SHZDKIFHCUQHJN-UHFFFAOYSA-N 365.520 3.524 0 40 FHAB COc1ccc([C@@H]2CC3=Nc4ncnn4[C@H](c4cccnc4)C3=C(O)C2)cc1 102674739 HMMCCBYGWYXRHO-FOIQADDNSA-N 373.416 3.747 0 40 FHAB Cc1nn(C(F)F)c(C)c1CC(=O)n1cccc/c1=N\C1CCCCC1 103822275 WMWQFJSGWLBXFA-OQKWZONESA-N 362.424 3.813 0 40 FHAB O=C(NC[C@@H]1CCCO1)Nc1ccc(N2CCc3sccc3C2)cc1 72055432 UCVRCONDWQSPLG-KRWDZBQOSA-N 357.479 3.611 0 40 FHAB O=C1CN(C(=O)CNc2ccccc2Oc2ccccc2)c2ccccc2N1 8192551 WPLZBXLKMCIZHC-UHFFFAOYSA-N 373.412 3.876 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 22865052 BJTXESKWFNFHSY-UHFFFAOYSA-N 358.825 3.837 0 40 FHAB CC[C@@H](NS(=O)(=O)c1c(C)nn(C(F)F)c1C)c1ccc(C)cc1 2804069 NMEGIEQEANPDJT-CQSZACIVSA-N 357.426 3.633 0 40 FHAB Cn1cc(CNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)cn1 54288651 NYTOMXPZXNXZFC-UHFFFAOYSA-N 364.430 3.734 0 40 FHAB CC(=O)Nc1ccc2c(COC(=O)C[C@@H]3C[C@@H]4CC[C@@H]3C4)cc(=O)oc2c1 103100331 XLYVLUBSJMDEFQ-KFWWJZLASA-N 369.417 3.621 0 40 FHAB CC[C@@H]1c2ccsc2CCN1C(=O)CNC(=O)c1ccc(C)c(C)c1 16778441 LZBJHLQWIHBHJW-QGZVFWFLSA-N 356.491 3.631 0 40 FHAB COc1ccc(-c2nc3n(n2)C(=O)C[C@H](c2ccc(OC)cc2)S3)cc1 1096583 JNMQZMTVNRWHOB-MRXNPFEDSA-N 367.430 3.840 0 40 FHAB Cc1cc(C)c(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)c(Cl)c1 42783106 OZULOJCMCARKFN-JSGCOSHPSA-N 369.845 3.798 0 40 FHAB CCOc1ccccc1NC(=O)CN1CC=C(c2ccc(O)cc2)CC1 105363561 GZPZVXJNVFAUAV-UHFFFAOYSA-N 352.434 3.519 0 40 FHAB CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)OCc1cc(F)ccc1OC 25065738 VTNXNKWNOZRDCL-KUHUBIRLSA-N 373.424 3.722 0 40 FHAB C[C@H]1Oc2c(C(=O)NCc3ccccc3Cn3ccnc3)cccc2[C@H]1C 25666324 LLDSMCTYSIALMN-JKSUJKDBSA-N 361.445 3.746 0 40 FHAB C[C@@H]1COCCN1C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 57144089 OHCJWZNZHOSGNO-WBMJQRKESA-N 367.287 3.721 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc2[nH]cnc2c1 12547479 GIFIZKQMIIYBFZ-UHFFFAOYSA-N 359.433 3.638 0 40 FHAB O=C(CN1CCC[C@H]1c1ccc[nH]1)N1CCC(Cc2ccccc2)CC1 58084986 ZNDDBKHLNWEOTE-NRFANRHFSA-N 351.494 3.633 0 40 FHAB Cc1ccc(-c2cc(C(=O)NCc3ccc4c(c3)OCO4)no2)cc1C 27580202 JUNIPLXQKGMBLF-UHFFFAOYSA-N 350.374 3.617 0 40 FHAB Cc1cc2occ(CC(=O)N3CCC(n4cncn4)CC3)c2cc1C(C)C 58159885 SQIIMJXKLUVIMG-UHFFFAOYSA-N 366.465 3.862 0 40 FHAB COc1cccc(N2CCN(CC(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1 58161360 KYBIYLQZPHOUBG-UHFFFAOYSA-N 368.521 3.603 0 40 FHAB Cc1nc(/C=C/C(=O)N[C@H](C)c2nc(-c3ccc(F)cc3)no2)cs1 58201085 STZIDZIGICURRT-QROSGCPLSA-N 358.398 3.531 0 40 FHAB COc1cc(C(=O)Oc2ccc(C)c3c2C(=O)C[C@@H]3C)cc(OC)c1OC 10650860 WSDFDCBLYZTONN-LBPRGKRZSA-N 370.401 3.930 0 40 FHAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1cc(F)ccc1Br 36393521 ICPGFAQNAPQHKK-IAQYHMDHSA-N 358.251 3.913 0 40 FHAB COc1ccc(OCc2nn3c(-c4ccc(C)cc4)nnc3s2)cc1 2416062 IOXKXYMGWCBGHW-UHFFFAOYSA-N 352.419 3.749 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cc(NC(=O)C3CC3)ccc2C)s1 48355180 UVCZKVYHQRCIFS-UHFFFAOYSA-N 350.465 3.514 0 40 FHAB O=C1CSc2ccc(C(=O)Nc3cccc(Br)c3)cc2N1 12819655 BTBRJKPQNHOHEE-UHFFFAOYSA-N 363.236 3.746 0 40 FHAB C[C@H](OC(=O)c1ccccc1Br)C(=O)N(C)c1ccccc1 3506889 ZZCOXAQAOMGGHC-LBPRGKRZSA-N 362.223 3.657 0 40 FHAB CCCn1nnnc1CSc1nnc(-c2ccccc2)c2ccccc12 8327135 PQZRAKBCZKKVRU-UHFFFAOYSA-N 362.462 3.986 0 40 FHAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1cccc(Cl)c1 8341152 CLRSDTFTBJPQIC-GFCCVEGCSA-N 367.854 3.541 0 40 FHAB O=C(Cn1ccc2cccc(OCc3ccccc3)c21)NCc1ccccn1 49544166 GNWYXQCNIWGASX-UHFFFAOYSA-N 371.440 3.932 0 40 FHAB COc1cc(Br)cc(/C=C2/SC(=O)N(C(C)C)C2=O)c1O 17193805 YCZWFJLLZYHFGR-VZUCSPMQSA-N 372.240 3.608 0 40 FHAB O=C(NC[C@H]1CCCO1)[C@H](Sc1nc2ccccc2[nH]1)c1ccccc1 39383551 LAPBUUBMQYWOJC-CRAIPNDOSA-N 367.474 3.692 0 40 FHAB Cc1csc(S[C@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)n1 6053848 DZYWZQVTDLAWGI-AWEZNQCLSA-N 364.467 3.904 0 40 FHAB COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cc(C)ccc2C)cc1 6052713 YIWFHEPRXAPEMM-IBGZPJMESA-N 365.433 3.579 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)Cc1ccc(Cl)cc1Cl 6353798 MYYJWJZQVGYYBG-NHYWBVRUSA-N 358.265 3.774 0 40 FHAB COc1ccccc1CCNC(=O)Cc1csc(-c2ccccc2)n1 14160585 KHAACXLNICXHJK-UHFFFAOYSA-N 352.459 3.720 0 40 FHAB Cc1cccc(N(CC(=O)Nc2cccc3ccccc23)S(C)(=O)=O)c1 4502491 KTGDPBINBNFWEA-UHFFFAOYSA-N 368.458 3.553 0 40 FHAB CC[C@H](C)C(=O)N1CCc2c([nH]c3ccccc23)[C@@]12C(=O)Nc1ccccc12 6624636 ADZLPMYXNRDXAT-PSLXWICFSA-N 373.456 3.794 0 40 FHAB biogenic FC(F)(F)c1ccc(-c2[nH]ncc2-c2nnnn2-c2ccccc2)cc1 5642687 VWUSTGYVYCIBQQ-UHFFFAOYSA-N 356.311 3.738 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 8514281 DZWOFEVWFJFIHR-SFHVURJKSA-N 373.474 3.682 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)OC(=O)C2=Cc3cc(Cl)ccc3OC2)cc1 8518117 OMROGQMCHKLLIE-ZDUSSCGKSA-N 371.820 3.995 0 40 FHAB COc1ccccc1[C@H]1C[C@@H](c2ccccc2)N(C(=O)C2CC2)c2ncnn21 4816916 FBQSFNWNJMGPSI-RBUKOAKNSA-N 374.444 3.764 0 40 FHAB COc1ccc(C)cc1CCNS(=O)(=O)c1cc(Cl)ccc1Cl 15357547 YVFLXYZAQWXMDG-UHFFFAOYSA-N 374.289 3.831 0 40 FHAB COc1ccc(CCC(=O)OCc2cc(Cl)cc3c2OCOC3)cc1 7201633 QBUOGLSYWHCQND-UHFFFAOYSA-N 362.809 3.891 0 40 FHAB CC(C)c1ccc(S(=O)(=O)NC[C@@H](O)c2cccc3ccccc23)cc1 70761538 PFNCVFWVIFMYNJ-OAQYLSRUSA-N 369.486 3.975 0 40 FHAB CCn1c([C@H](C)NC(=O)C2=NO[C@@H](c3ccccc3)C2)nc2ccccc21 68174778 LYECLSAHZZOYKY-IFXJQAMLSA-N 362.433 3.751 0 40 FHAB O=C(COc1ccc(C(F)(F)F)cc1)Nc1cccc2c1OCCC2=O 96002162 ZNFJUSNVJKQFJR-UHFFFAOYSA-N 365.307 3.688 0 40 FHAB Cc1ccccc1CN(C)C(=O)CSc1nc(-c2ccccc2F)n[nH]1 9447432 ZWOCKQVXUAYPSK-UHFFFAOYSA-N 370.453 3.670 0 40 FHAB C[C@H](C(=O)NC(C)(C)C)[S@@](=O)Cc1csc(-c2ccc(F)cc2)n1 71801124 HFAUKMWKBLTKLP-YDGUKXNOSA-N 368.499 3.501 0 40 FHAB O=C(CC1CCCC1)N1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 95349267 QTXMLONGXYJMNQ-UHFFFAOYSA-N 374.912 3.623 0 40 FHAB Cc1cc(NCc2ccc(OCc3cccc(F)c3)cc2)n2ncnc2n1 74271445 PQAWLXRUUVYOJI-UHFFFAOYSA-N 363.396 3.763 0 40 FHAB Cc1cc(Cl)ccc1OCCCC(=O)N(C)c1cccnc1N(C)C 75106198 JRHVSHJFVQRZPK-UHFFFAOYSA-N 361.873 3.931 0 40 FHAB O=C([C@@H]1C[C@]12CCc1ccccc12)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 553040344 ADQRARZFRDWHCL-WGZFELOISA-N 373.496 3.922 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)CN2CCc3sccc3[C@H]2C)c1 35262652 ICFAJLMCRGTFSB-UONOGXRCSA-N 374.506 3.562 0 40 FHAB C[C@H](NC(=O)CN1CCC[C@H]1c1cccn1C)c1cc2ccccc2o1 36488148 QWZBFOWGJSWULM-YJBOKZPZSA-N 351.450 3.786 0 40 FHAB CCN(CC)C(=O)CN1CCC(c2cccc(Cc3ccccc3)n2)CC1 72348755 OKWDYNRQGNZQAG-UHFFFAOYSA-N 365.521 3.720 0 40 FHAB CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(Cl)cc1 224702860 MGSCFEKFHOEBTL-UHFFFAOYSA-N 360.660 3.928 0 40 FHAB C[C@H]1C[C@@H](C)CN(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 224990448 AYCYBCUALMGSGP-GASCZTMLSA-N 352.906 3.592 0 40 FHAB CCCN(CC1CC1)C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 40141819 SNWOAXGGHCQDLH-UHFFFAOYSA-N 359.420 3.901 0 40 FHAB Cc1ccc2nc(COc3cccc(NC(=O)CC(C)C)c3)cc(=O)n2c1 41077188 ZNRMMLLAHSLJKR-UHFFFAOYSA-N 365.433 3.567 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 223059222 BOOOAXHSTXVKGI-NRFANRHFSA-N 366.505 3.708 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)COc1ccc(OC)cc1 44904971 BSFZKQBWIHKVKI-KUHUBIRLSA-N 361.413 3.575 0 40 FHAB COc1ccc(S(=O)(=O)N(C)c2ccccc2C)cc1Br 49991662 MAVHNIAEFWFVJD-UHFFFAOYSA-N 370.268 3.591 0 40 FHAB CC(C)Sc1nnc(NC(=O)C2(c3ccccc3)CCOCC2)s1 224763375 UNXOVRHXFGYBFD-UHFFFAOYSA-N 363.508 3.726 0 40 FHAB C[C@@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc2c(c1)CCC2 223243379 WSAUNSJDABWFOI-OAHLLOKOSA-N 351.446 3.757 0 40 FHAB CCc1cc(I)ccc1NC(=O)c1ccc(N)cc1 226269016 PWQDUHLIOHAEJR-UHFFFAOYSA-N 366.202 3.688 0 40 FHAB O=C(Nc1ccccc1)N1C[C@@H]2CN(Cc3cccc(Cl)c3)C[C@@H]2C1 96081063 KABBIPMQJNHTOO-CALCHBBNSA-N 355.869 3.936 0 40 FHAB COc1cccc2cc(C3N4CC5(C)CN3CC(C)(C4)C5)c(Cl)nc12 95474057 MQEWJVSGSXLPCB-UHFFFAOYSA-N 357.885 3.943 0 40 FHAB O=C(CSc1ccc(F)cc1)N1CC[C@@H](c2noc(-c3ccco3)n2)C1 238953117 XJFLFDVLXDAOAQ-GFCCVEGCSA-N 373.409 3.577 0 40 FHAB Cc1ccsc1CN1CCC[C@]2(C[C@@H](OCc3ccncc3)CO2)C1 96107307 HDWUAYXTQDVIGE-QUCCMNQESA-N 358.507 3.792 0 40 FHAB CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1nc2ccccc2s1 96118598 XGNFMMAABKVDOO-UHFFFAOYSA-N 364.430 3.848 0 40 FHAB CC(C)c1nccc(N2CCC[C@@H]3[C@@H](NC(=O)C4CCCC4)C(C)(C)[C@@H]32)n1 585137629 KMNBCGLSXFWEHV-BHIYHBOVSA-N 370.541 3.900 0 40 FHAB Cc1cccnc1Nc1nccnc1[C@H]1CCCN(Cc2cscn2)C1 257314961 UZHMLGMZRVNSJO-HNNXBMFYSA-N 366.494 3.760 0 40 FHAB CCn1nccc1-c1cc(C)nc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 257222729 DULSBJFXQWYRCX-OAHLLOKOSA-N 356.470 3.998 0 40 FHAB COc1cc(-c2cc(-c3ccc(N4CCCC4=O)cc3)nn2C)ccc1O 257333798 YDBYOLLILQPJLU-UHFFFAOYSA-N 363.417 3.595 0 40 FHAB COc1ccc2c(c1)OCCN(C(=O)NCC(C)(C)c1ccc(F)cc1)C2 670013101 SAYFUHHVEPUMET-UHFFFAOYSA-N 372.440 3.716 0 40 FHAB C[C@H](Nc1ccc(S(=O)(=O)N(C)C)cn1)c1cccc(C(F)(F)F)c1 1319518300 LRKUABZAWFUTQP-NSHDSACASA-N 373.400 3.524 0 40 FHAB CN(C)c1ccc([C@H](O)CNC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 90612014 VZCTZMLGOLXFIK-LJQANCHMSA-N 355.482 3.905 0 40 FHAB O=C(/C=C/c1ccccc1)NCCn1nc(-c2ccccn2)c2c1CCCC2 96121484 QPPMOZGVCMBQTP-BUHFOSPRSA-N 372.472 3.654 0 40 FHAB CC1(NC(=O)c2ccc(-c3ccco3)s2)CN(C(=O)OC(C)(C)C)C1 1615611261 ZYCUGIJLQFEQGB-UHFFFAOYSA-N 362.451 3.747 0 40 FHAB CCc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)cc1 8083656 JSDZAYWPYFKDOP-MTOJCTJASA-N 372.490 3.686 0 40 FHAB Cc1nc(Cc2nnc(SCc3nnc(-c4ccccc4)o3)o2)cs1 5832757 GNNSZEAYBNLVLZ-UHFFFAOYSA-N 371.447 3.768 0 40 FHAB O=C(/C=C/c1ccccc1OC(F)F)Nc1ccc(N2CCOCC2)cc1 11328599 FOFKJIFEMYBXOV-BJMVGYQFSA-N 374.387 3.777 0 40 FHAB Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H](c2cccs2)C(C)C)[nH]n1 12116889 NDLNXEXEZZDBOC-QGZVFWFLSA-N 357.483 3.616 0 40 FHAB CCOc1ccc(CC(=O)N2CCC(c3onc4c3CCCC4)CC2)cc1 12119789 GKUSVMANEDCEMI-UHFFFAOYSA-N 368.477 3.901 0 40 FHAB CC[C@H](C)NC(=O)C1(Cc2cc(-c3ccccc3C)no2)CCOCC1 12241862 UNPUHECHMCTJKL-INIZCTEOSA-N 356.466 3.904 0 40 FHAB Cc1cc(C(=O)N2CCC(c3noc(-c4ccccn4)n3)CC2)sc1C 12668865 AAEGUZBFHLMAID-UHFFFAOYSA-N 368.462 3.830 0 40 FHAB CC1CCC(N(C)C(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)CC1 12763167 NFILNABECUCTCV-JLHYYAGUSA-N 368.521 3.976 0 40 FHAB O=C(Nc1ccccc1I)c1cccnc1Cl 14429662 CURDDSDDNHQDBS-UHFFFAOYSA-N 358.566 3.592 0 40 FHAB CCCCc1nnc(SCCCOc2c(C=O)cccc2OC)o1 15418597 LXDLCORNYYAFOU-UHFFFAOYSA-N 350.440 3.795 0 40 FHAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](CC(C)C)[C@@H]3C2=O)cc1 17953372 ZUPSITHYXMCPQV-AABGKKOBSA-N 364.445 3.720 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)Nc2nc(-c3cnn(C)c3C)cs2)cc1C 19214254 JCPFARTYXZBNQG-AWEZNQCLSA-N 370.478 3.875 0 40 FHAB O=C(NC1CCN(C[C@H](c2ccccc2)C2CCCC2)CC1)[C@@H]1CCCO1 19369197 LELXOLLQAHEFQB-YADHBBJMSA-N 370.537 3.720 0 40 FHAB CCn1cc(CCC(=O)N[C@H](Cc2ccsc2)c2cccnc2)c(C)n1 19524490 YVTLHUZGNOJYDP-LJQANCHMSA-N 368.506 3.701 0 40 FHAB CN(C)C1CCC2(CC1)CN(Cc1ccncc1)Cc1ccccc1O2 19583962 KRAUSGOATLFVSF-UHFFFAOYSA-N 351.494 3.719 0 40 FHAB COc1ccccc1CN1C[C@@H](c2ccccc2)[C@@H]2NC(=O)CCCC[C@H]21 19712618 RVYGVGROKTYQOD-MZKRTTBSSA-N 364.489 3.722 0 40 FHAB Cc1ccccc1-n1c(C)nnc1SCC(=O)N(C)c1ccccc1 3424666 CGKDQQZYDFSTLQ-UHFFFAOYSA-N 352.463 3.639 0 40 FHAB FC(F)(F)c1cccnc1OC[C@H]1CCCN(c2ncc(Cl)cn2)C1 1776001345 NWJLUKZYSJENMZ-NSHDSACASA-N 372.778 3.839 0 40 FHAB O=C1CO[C@@]2(CCCN(Cc3cccs3)CC2)CN1c1ccc(F)cc1 2037840623 OWAPTKYUSRTCCZ-HXUWFJFHSA-N 374.481 3.675 0 40 FHAB O=C(O)CCCCCOC(=O)Cc1cccc(C(=O)c2cccs2)c1 2061000583 HPEHJRLHGGUAJY-UHFFFAOYSA-N 360.431 3.710 0 40 FHAB Cc1nc2sc([C@@H](c3ccco3)N3CCc4ccccc4C3)c(O)n2n1 4121036 LGBUTYWRDCVEMH-MRXNPFEDSA-N 366.446 3.546 0 40 FHAB CCOc1ccc(-c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)nn1 4939985 HXSXIMDZYVPIOR-UHFFFAOYSA-N 363.373 3.523 0 40 FHAB CNC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)sc(C)c1C 5144941 KMCVEJJDXLMMMG-UHFFFAOYSA-N 356.369 3.996 0 40 FHAB CCCN1C(=O)CCc2cc(NS(=O)(=O)c3cc(C)ccc3C)ccc21 8840577 HULRSTHOKGEEDF-UHFFFAOYSA-N 372.490 3.793 0 40 FHAB CCOc1ccc2ccccc2c1C(=O)NC[C@@H]1COC2(CCCC2)O1 10220477 SSQAWHAFKUXIBO-MRXNPFEDSA-N 355.434 3.654 0 40 FHAB CCCN1CCCc2cc(CCNC(=O)COc3ccc(F)cc3)ccc21 11612977 UXDSERNCEPQBLY-UHFFFAOYSA-N 370.468 3.726 0 40 FHAB Cn1nc(-c2ccncc2)cc1CNC(=O)C1(c2cccs2)CCCC1 1775966498 HWBVMICHKVMFSO-UHFFFAOYSA-N 366.490 3.672 0 40 FHAB CSc1ccc2nc(N3C[C@H]4CN(c5ccccn5)C[C@@H]4C3)sc2c1 2298100664 KMKLTAHBEAICPE-ZIAGYGMSSA-N 368.531 3.986 0 40 FHAB Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)oc2ccc(F)cc12 28228398 VHGPKASBAWCKBR-UHFFFAOYSA-N 352.409 3.838 0 40 FHAB O=C(O)c1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)cc1 40287855 PZTGFDRBKNCTKO-OAHLLOKOSA-N 351.337 3.833 0 40 FHAB Cc1csc(=O)n1CCOC(=O)Cc1coc2ccc3ccccc3c12 7985532 LXWHKRGDYBLDLY-UHFFFAOYSA-N 367.426 3.904 0 40 FHAB Cc1cc(NC(=O)CN(C)Cc2ccsc2)ccc1Br 7926865 JRQXLJYAFHBJBQ-UHFFFAOYSA-N 353.285 3.890 0 40 FHAB O=C(Nc1ccc(OC(=O)[C@@H]2Cc3ccccc3O2)cc1)c1cccs1 29479892 OPNLITKMEIEWQA-KRWDZBQOSA-N 365.410 3.910 0 40 FHAB CCCN1CCn2c(nc3cc(NC(=O)CCc4ccccc4)ccc32)C1 20676567 NPOAMGGOIONMJJ-UHFFFAOYSA-N 362.477 3.833 0 40 FHAB CCn1c(SCC(=O)Nc2ccc(N)cc2C)nnc1-c1cccs1 1342537 AAOGFWCFIDLPEE-UHFFFAOYSA-N 373.507 3.648 0 40 FHAB Cc1ccc(-n2ncc3c2N=C(O)C[C@@]32C(=O)N(C)c3ccccc32)cc1C 20730412 NBDVPEVEZVJOIT-QFIPXVFZSA-N 372.428 3.743 0 40 FHAB CCc1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 1368197 YPBAUUCXOXHWDA-UHFFFAOYSA-N 373.503 3.895 0 40 FHAB Cn1c(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nc2ccccc21 1370871 JBIFCXAUVPDERK-UHFFFAOYSA-N 369.856 3.581 0 40 FHAB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccc(F)cc1 20944766 NDGQQKNYQKOFCX-GOSISDBHSA-N 373.424 3.505 0 40 FHAB O=C(OCCOC(=O)c1ccccc1C(=O)c1ccccc1)c1ccccc1 3340094 LEQOEZYKLREVOP-UHFFFAOYSA-N 374.392 3.931 0 40 FHAB CC(C)CCC1=NN(C(=O)c2ccc(N(C)C)cc2)[C@](O)(C(F)(F)F)C1 3905090 CRSHEJQUQWLZTA-QGZVFWFLSA-N 371.403 3.642 0 40 FHAB C[C@@H](NC(=O)NOCc1ccccc1)c1ccc(NC(=O)C2CC2)cc1 32795284 NTUCLBCQZLYKMV-CQSZACIVSA-N 353.422 3.527 0 40 FHAB C[C@H](NC(=O)c1cccnc1)c1nc(-c2ccc(C(C)(C)C)cc2)no1 4998177 WLWHPESXUORLAC-ZDUSSCGKSA-N 350.422 3.920 0 40 FHAB COc1cc2sc(NC(=S)NC(=O)CC(C)C)nc2cc1Cl 6023137 FRUREBLPQDXQAR-UHFFFAOYSA-N 357.888 3.817 0 40 FHAB CCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@H]1c1cccc(O)c1 6747876 ULFKUZLPGDXQRL-HXUWFJFHSA-N 363.417 3.746 0 40 FHAB CCc1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 6957929 ZSGFKWBPGGWSKG-UHFFFAOYSA-N 372.490 3.696 0 40 FHAB C[C@H](Sc1nnc(C2CC2)n1C)C(=O)Nc1cccc(C(F)(F)F)c1 7235592 HPUNDMBGXBWRPG-VIFPVBQESA-N 370.400 3.831 0 40 FHAB CCN(CC)C(=O)COC(=O)CSc1cccc2cccc(Cl)c12 7780587 ZRFYDDLOTGAMCJ-UHFFFAOYSA-N 365.882 3.997 0 40 FHAB COc1ccc([C@H](NC(=O)NCc2cn3c(C)cccc3n2)C2CC2)cc1 69042908 OBSUGFJUARXFEY-HXUWFJFHSA-N 364.449 3.602 0 40 FHAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NC1CCC(O)CC1 104072973 CZPVKYRGIVIOAP-YJRXOLIASA-N 370.331 3.530 0 40 FHAB Cc1cc(Cl)c(CC(=O)OCC(=O)c2ccc(F)cc2)c(Cl)n1 8132308 GJUUAKGBJITIQX-UHFFFAOYSA-N 356.180 3.805 0 40 FHAB O=C(CSc1nc2sccc2c(=O)[nH]1)Nc1ccc(F)c(Cl)c1 8456422 JOFINCJXVKHEHF-UHFFFAOYSA-N 369.830 3.508 0 40 FHAB Cc1ccc(OCCCC(=O)Nc2cccc(N3CCCC3=O)c2)cc1 11916468 OCLLGIMMHUAILU-UHFFFAOYSA-N 352.434 3.920 0 40 FHAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1cc2ccccc2c(=O)[nH]1 29873873 WWVNUMIBURZDFH-UHFFFAOYSA-N 360.335 3.519 0 40 FHAB CCn1c([C@@H](C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 2721295 AOESDHHCNPWKEQ-CYBMUJFWSA-N 353.422 3.564 0 40 FHAB Cc1cc(S(=O)(=O)n2ccnc2C(C)C)c(C)cc1Br 9061883 STFQDIVQLIJLEU-UHFFFAOYSA-N 357.273 3.623 0 40 FHAB O=C(COc1cc(Cl)c(Cl)cc1Cl)O[C@@H]1CCCC[C@H]1O 682520 MVSZPMNILBYIPQ-VXGBXAGGSA-N 353.629 3.872 0 40 FHAB O=C(Cc1cccc2ccccc12)NC1CCN(Cc2ccccn2)CC1 53990177 AUVGWQURXUMTDC-UHFFFAOYSA-N 359.473 3.558 0 40 FHAB CC(C)CC(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 46919119 DCYPTZWJCZCUDN-HNNXBMFYSA-N 356.388 3.531 0 40 FHAB Cc1c(Cl)cccc1NC(=O)c1cccc(NC(=O)CCC(=O)O)c1 991831 SOZOSZGQNSNGLL-UHFFFAOYSA-N 360.797 3.704 0 40 FHAB C[C@H]1C[C@H]2[C@@H]3CC4(CC4)[C@@](C)(O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@]12O 118936567 IRWYKFPPOMXMCD-VBCDKBITSA-N 362.554 3.892 0 40 FHAB CC(C)n1nccc1NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 22288203 FSERXKZNBJILSH-UHFFFAOYSA-N 356.470 3.520 0 40 FHAB Cc1ccc(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c(C)c1 113967820 FXWBOZRCXSHATH-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB CC[C@H](C)NC(=O)c1ccc(Cn2nc(C)c(Br)c2C)cc1 28576868 ROABMSCWWGOJCY-NSHDSACASA-N 364.287 3.839 0 40 FHAB Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(CN2CCCC[C@@H]2C)cc1 53720645 CQMISUFOZAPIMQ-INIZCTEOSA-N 368.525 3.983 0 40 FHAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 1393149 UCJBPBRRUPJQPB-UHFFFAOYSA-N 350.340 3.794 0 40 FHAB COc1ccc(O)c(C(=O)c2cnn(-c3ccc(Br)cc3)c2)c1 24936008 KRVDFOBTKGXTQU-UHFFFAOYSA-N 373.206 3.580 0 40 FHAB O=C(Nc1nccs1)c1cc(O)c(OCc2cccc(Cl)c2)cn1 61719361 FKMHXQFZOATWER-UHFFFAOYSA-N 361.810 3.728 0 40 FHAB O=C1N(c2ccc3c(c2)OCCO3)[C@@H](c2ccc(Cl)cc2)C1(F)F 3173346 YLHNKMRTNKBUCY-HNNXBMFYSA-N 351.736 3.834 0 40 FHAB COc1cccc(N2CCN(CC(=O)c3c[nH]c4ccccc34)C[C@H]2C)c1 35369396 GMGYONSXGWPXST-MRXNPFEDSA-N 363.461 3.570 0 40 FHAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccccc1F 20144611 JJLJORZWMXXLBU-UHFFFAOYSA-N 355.365 3.904 0 40 FHAB Cc1cccc(OCCCCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)c1 57386493 NCTIAAIFEQUHRQ-UHFFFAOYSA-N 360.841 3.935 0 40 FHAB CC(C)C[C@H](CNC(=O)c1ccc(-c2ccccc2)cc1)N1CCOCC1 22611750 IYCNTHNANCDLAZ-JOCHJYFZSA-N 366.505 3.830 0 40 FHAB O=C(CN1CCC[C@@H]1c1ccccc1)Nc1ccc2c(c1)OCCCO2 10088855 CJSGCMHMTYHVEH-GOSISDBHSA-N 352.434 3.624 0 40 FHAB C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1ccc(Cl)c(Cl)c1 23075115 WLHMNNWEOGRRNN-HWPZZCPQSA-N 364.228 3.952 0 40 FHAB Cc1sc(NC(=O)CNC(=O)c2ccccc2)nc1-c1ccc(F)cc1 12790555 XXDSKWNUDHBSQL-UHFFFAOYSA-N 369.421 3.626 0 40 FHAB COc1cc(OC)cc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)c1 12786975 AFKLXOITUCGCKG-UHFFFAOYSA-N 369.461 3.894 0 40 FHAB Cc1ccc(Cl)c(OCC(=O)Nc2cnc3c(cnn3C(C)C)c2)c1 12773888 OVOAOQBNHCBZBA-UHFFFAOYSA-N 358.829 3.992 0 40 FHAB C[C@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1ccc2ccccc2c1 12862475 WCECGLVKNCCXDC-AWEZNQCLSA-N 350.393 3.586 0 40 FHAB Cc1ccc(C)c(C(=O)CCC(=O)N2CCN(c3ccccc3)CC2)c1 3414165 QGYBTDUMCBXGBJ-UHFFFAOYSA-N 350.462 3.615 0 40 FHAB C[C@@H](OC(=O)c1c2c(nc3ccccc13)CCC2)C(=O)Nc1ccccc1 3482239 OZEPDKNCOGPHRO-CQSZACIVSA-N 360.413 3.908 0 40 FHAB CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CN1CCC(C)CC1 12910173 KQSPNAOXSGHFOE-SFHVURJKSA-N 373.541 3.601 0 40 FHAB O=c1c2ccc(Cl)cc2ncn1Cc1nc(-c2cccc(Cl)c2)no1 12997948 RRWPBBUIUGKSND-UHFFFAOYSA-N 373.199 3.802 0 40 FHAB Cc1cc(C)c(NC(=O)CCN2C(=O)COc3ccccc32)c(Cl)c1 12935953 YFZNLQHKBUADHW-UHFFFAOYSA-N 358.825 3.711 0 40 FHAB CSc1nc2ccccc2n1CC(=O)N[C@H](C)CCc1ccccc1 13117116 HSFNNTGFXYTHLD-OAHLLOKOSA-N 353.491 3.896 0 40 FHAB O=C(COc1ccc2ccccc2c1)NCc1nc(-c2cccs2)no1 24577109 GBRWXHKTAKPBLK-UHFFFAOYSA-N 365.414 3.647 0 40 FHAB COc1ccc(C(=O)N2CCc3cc4c(cc3[C@@H]2C)OCCCO4)cc1 4090167 CEJHFPRKGBXNCT-AWEZNQCLSA-N 353.418 3.616 0 40 FHAB biogenic CCN(Cc1ccccc1C)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 63809939 WQJLMEZFZBFQAB-UHFFFAOYSA-N 353.447 3.969 0 40 FHAB CCC(CC)NC(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O 6087459 BJEXTRMKPDYENH-UHFFFAOYSA-N 369.490 3.738 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(-c2ccc(O)cc2)cc1 4220914 GWNXCMRSLSPXQR-MGPUTAFESA-N 367.445 3.911 0 40 FHAB CC(C)CCN(C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 65575236 FRAXRXBCAMNMCQ-INIZCTEOSA-N 359.495 3.997 0 40 FHAB C[C@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 14279997 WGYBCLNDPXMFAZ-FTBFDPLKSA-N 369.509 3.507 0 40 FHAB O=C1C[C@H](C(F)(F)F)c2c(c(C(=O)O)cn2-c2ccccc2Cl)N1 66087676 DVBBTZLDCZFNBM-QMMMGPOBSA-N 358.703 3.817 0 40 FHAB COc1cccc(OC)c1OC(=O)c1cc(Br)ccc1F 8778457 LPIWTRLKMPLCEO-UHFFFAOYSA-N 355.159 3.825 0 40 FHAB O=C(Cc1ccccc1)Oc1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 18247067 JYVHMHILUWCKBD-KDURUIRLSA-N 363.413 3.514 0 40 FHAB Cc1ccc(NC(=O)COC(=O)COc2ccc3ccccc3c2)cc1F 6886724 ZFCNHNNEMNJUFN-UHFFFAOYSA-N 367.376 3.848 0 40 FHAB COc1ccc(C(C)=O)cc1CSc1nnc(Cc2ccccc2)n1C 6857177 ZOOYQCQTQCUEGH-UHFFFAOYSA-N 367.474 3.909 0 40 FHAB CC(C)CCNC(=O)CSc1ncnc2c(-c3ccccc3)c[nH]c12 71328132 AONMWFAAPXWCLD-UHFFFAOYSA-N 354.479 3.879 0 40 FHAB COc1ccc(Nc2nc(N3C[C@H](C)C[C@@H](C)C3)nc3c2cnn3C)cc1 6901083 NMPKYGAFHNQGLD-ZIAGYGMSSA-N 366.469 3.598 0 40 FHAB CCc1cccc(C)c1NC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O 67205775 XKALSJSMRXDZTM-UHFFFAOYSA-N 361.445 3.728 0 40 FHAB COc1ccc(C(=O)COC(=O)CCSc2ccccc2)c(OC)c1 7158093 QKZLYXDLVZAYRJ-UHFFFAOYSA-N 360.431 3.612 0 40 FHAB O=C(c1cc(=O)c2cc(F)ccc2o1)N(Cc1ccco1)c1ccccn1 15833127 YVDHAJRITUGIAP-UHFFFAOYSA-N 364.332 3.767 0 40 FHAB Cc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 16087423 WTXSMMRVHQICTA-GFCCVEGCSA-N 359.369 3.933 0 40 FHAB COc1ccc(OC)c(CC(=O)Nc2ccc(Br)cc2F)c1 20447839 FCFXCDBKCQAMJQ-UHFFFAOYSA-N 368.202 3.787 0 40 FHAB CCN1CCN(c2ccc(NC(=O)c3ccc4ncsc4c3)cc2)CC1 9368489 FFBYXYARAVQKDC-UHFFFAOYSA-N 366.490 3.691 0 40 FHAB CCOc1ncccc1C(=O)N1CCC(c2nc3ccccc3o2)CC1 9460417 JQHDBHCEJAGPIY-UHFFFAOYSA-N 351.406 3.641 0 40 FHAB Cc1cc(-c2ccccc2)nc2cc(-c3nc(-c4ccccn4)no3)nn12 9486701 CZBBCWWBRKTDGU-UHFFFAOYSA-N 354.373 3.817 0 40 FHAB Cc1cc(Br)ccc1NC(=O)CSc1nc(C(C)C)n[nH]1 9836440 JYCRLLNVRSTSIC-UHFFFAOYSA-N 369.288 3.730 0 40 FHAB C[C@H]1CN(Cc2ccccc2)C[C@@H]1NCc1cccc(Cn2cccn2)c1 95964902 JZPWWFKOFOUMQN-CVDCTZTESA-N 360.505 3.542 0 40 FHAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCC[C@@H](C)C3)c12 29510939 RYWXQDNFTBKNCF-GFCCVEGCSA-N 354.479 3.877 0 40 FHAB Cc1cc(C)cc(C(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1 89583313 SQKTWFIFJUIELA-INIZCTEOSA-N 363.866 3.557 0 40 FHAB Cn1c(CNc2cc3c(cc2Cl)OCCO3)nnc1-c1ccccc1 89741449 NHGXPMJFVKAYRL-UHFFFAOYSA-N 356.813 3.519 0 40 FHAB CCn1ncc2c(C(=O)Nc3c(C)noc3C)cc(-c3ccccc3)nc21 36616815 LJUWZIIRNNQENA-UHFFFAOYSA-N 361.405 3.975 0 40 FHAB COc1cc2c(cc1OC)[C@H](NC(=O)c1cc(-c3cccs3)[nH]n1)CC2 524732395 YXEZRLGRSQYJJF-CYBMUJFWSA-N 369.446 3.573 0 40 FHAB Cc1cc([C@H]2CCCCN2Cc2ccccc2)cnc1N1CCOCC1 72219367 XTKDACQDOJWGEJ-OAQYLSRUSA-N 351.494 3.954 0 40 FHAB Cc1c2c(=O)n(-c3ccc(Cl)cc3)nc-2cc(O)n1Cc1cccs1 36576024 TUHBMDKSHAMHEW-UHFFFAOYSA-N 371.849 3.916 0 40 FHAB COc1ccc2c(CC(=O)NC3(c4noc(C)n4)CCCCC3)coc2c1 32876191 BJHNGGOPXCAPPG-UHFFFAOYSA-N 369.421 3.651 0 40 FHAB CCn1c(NC(=O)c2oc3ccccc3c2CN(C)C)nc2cccnc21 558380862 UKQUUPMPHWJWEH-UHFFFAOYSA-N 363.421 3.511 0 40 FHAB Cc1ccc2c(ccn2CCNC(=O)C2(c3ccccc3)CCOCC2)c1 72401369 HPJAYONTPPHNGN-UHFFFAOYSA-N 362.473 3.814 0 40 FHAB O=C(COC(=O)c1nccc2ccccc12)Nc1cc(F)ccc1Cl 72330306 CRWWLRBKZCIPMI-UHFFFAOYSA-N 358.756 3.823 0 40 FHAB COc1ccc(C[C@H](N[C@H]2CC[C@H](O)CC2)c2ccc(OC)cc2)cc1 560906060 BVGAFASPVVVAJN-IPJJNNNSSA-N 355.478 3.881 0 40 FHAB CCc1ccc(C(=O)NCCCN2CCN(c3cccc(C)c3)CC2)s1 32824794 ZGGCNNVHTYCRFJ-UHFFFAOYSA-N 371.550 3.561 0 40 FHAB CCc1nn2c(C)c(C(=O)OC(C)C)nnc2c1-c1cccc(Cl)c1 40385007 ZWBLSFYYEJCAOO-UHFFFAOYSA-N 358.829 3.881 0 40 FHAB Cc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1 225312897 DNMDLTBMWKVWFC-UHFFFAOYSA-N 352.459 3.973 0 40 FHAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCOc3ccc(F)cc3)cc2)C1 224335023 GPTPEMCSZJGGAW-QGZVFWFLSA-N 370.468 3.866 0 40 FHAB O=C(O)c1c[nH]c2ncc(-c3cc(F)ccc3OC[C@@H]3CCCO3)cc12 569709315 ASMWYJDNRXOKCG-ZDUSSCGKSA-N 356.353 3.625 0 40 FHAB S=C(NCCSC1CCCCC1)Nc1ccc2c(c1)OCCO2 225357749 MSWMFOSNVFIWLI-UHFFFAOYSA-N 352.525 3.810 0 40 FHAB Cc1ccc(CN(C(=O)Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)C)cc1 225534822 ZYQGPYNEBRZCPN-LJQANCHMSA-N 366.505 3.788 0 40 FHAB S=C(Nc1ccccc1Cl)N1CCN(C2CCSCC2)CC1 225215752 UNBDEGCAGPRNCJ-UHFFFAOYSA-N 355.960 3.550 0 40 FHAB Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(Cc2ccoc2)C3)n1 96065126 KLVAJBFEZJYYIM-RTWAWAEBSA-N 356.466 3.571 0 40 FHAB COc1ccc(CC(=O)c2cc(Br)c(OC)c(OC)c2)cc1 96325937 GOSDSRHFCXWAFR-UHFFFAOYSA-N 365.223 3.900 0 40 FHAB CCCOc1cc2c(cc1CN1[C@H]3CC[C@H]1c1cccnc1C3)OCO2 253377655 XTBLWILFXPGAGI-YJBOKZPZSA-N 352.434 3.861 0 40 FHAB Cc1c[nH]c(-c2nccnc2[C@@H]2CCCN(Cc3ccccc3F)C2)n1 257254355 KCRUKJSUGXUECT-MRXNPFEDSA-N 351.429 3.694 0 40 FHAB C[C@@H](NC(=O)N1CCN(c2cccc3[nH]ccc23)CC1)C1CCC(F)CC1 624381418 OIBJIDKRYYRLPJ-KLAILNCOSA-N 372.488 3.916 0 40 FHAB Cn1cc([C@H](NC(=O)N[C@@H]2CCCC23CCCCC3)C(F)(F)F)cn1 666903168 XYRMEOYGHPMQBQ-KGLIPLIRSA-N 358.408 3.826 0 40 FHAB Brc1ccccc1CNCCCN1CCc2ccccc2C1 642197751 XZPHVUCSCIOCRA-UHFFFAOYSA-N 359.311 3.987 0 40 FHAB COc1cc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)C(C)C)ccn1 585105931 ZWOFVCUOCQDNKE-UHFFFAOYSA-N 366.461 3.808 0 40 FHAB Cc1cc(CN2CCC(CNC(=O)NCc3cccs3)CC2)c(C)o1 43972993 MJUDCUIQBALPJO-UHFFFAOYSA-N 361.511 3.669 0 40 FHAB O=C(O)CCC(=O)N1N=C(c2ccsc2)C[C@@H]1c1ccccc1Cl 58161663 QXNJXKAHOSCRHU-OAHLLOKOSA-N 362.838 3.944 0 40 FHAB CCC[C@@H](CO)N(CCO)CCCc1ccc(COc2ccccc2)cc1 95101105 IAEVNZSSXTWPDB-QFIPXVFZSA-N 371.521 3.654 0 40 FHAB Cc1c(Cl)cnc(NC(=O)COC(=O)/C=C/c2cccs2)c1Cl 3425153 UEEQSXSCTLKBNP-SNAWJCMRSA-N 371.245 3.953 0 40 FHAB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc4ccccc34)C2=O)cc1 5745858 WFTIPTCKSXRHCG-CPNJWEJPSA-N 356.381 3.815 0 40 FHAB Cc1ccc(CNC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1F 12936065 DBPMXSCXXUPORI-IBGZPJMESA-N 372.440 3.701 0 40 FHAB Cc1cccc(-n2[nH]c3ncc4c(c3c2=O)C[C@H](c2ccccc2)CC4=O)c1 13611287 SWKUOIZNQKBDBL-INIZCTEOSA-N 369.424 3.935 0 40 FHAB CCOc1ccc(CNC(=O)[C@@H](C)Oc2cccc(OC)c2)cc1OCC 19931950 OLPVRTFLHCWPNY-OAHLLOKOSA-N 373.449 3.576 0 40 FHAB Cn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 209940578 XMTTXROMSPLFNS-MSOLQXFVSA-N 352.438 3.736 0 40 FHAB Cc1cc2c(c(Cl)n1)C(=O)N(Cc1cccc(C(F)(F)F)c1)C2=O 2557759 LOJPEPCJNIVCKK-UHFFFAOYSA-N 354.715 3.858 0 40 FHAB C[C@@H](O)c1ccc(C2(CNS(=O)(=O)c3cccs3)CCCC2)s1 225683600 ADYFTJDCNAGKNW-GFCCVEGCSA-N 371.549 3.653 0 40 FHAB Cc1nc(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cs1 10034912 IINKHSISFFOVHX-BIENSFFJSA-N 356.447 3.600 0 40 FHAB COc1ccc(NC(=O)c2ccc(CSc3nnc(N)s3)cc2)cc1 10391704 AKPSYMJGOOMMSP-UHFFFAOYSA-N 372.475 3.674 0 40 FHAB Cc1cc(C)n2nc(C(=O)OCc3sc4ccccc4c3Cl)nc2n1 26887558 WJCDSAHFXBFSQS-UHFFFAOYSA-N 372.837 3.966 0 40 FHAB CCOc1ccc(CC(=O)N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)cc1 1776009356 XCIACVQZXVXPIQ-IRXDYDNUSA-N 373.884 3.872 0 40 FHAB Cc1ccc(N(C(=O)c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1Cl 3077191 KTBJOENSJBIEIR-MRXNPFEDSA-N 361.850 3.606 0 40 FHAB COc1ccc(-c2nnc(NC(=O)Cc3ccc(F)cc3)s2)c(OC)c1 4087746 JKADJFBQAVOMSL-UHFFFAOYSA-N 373.409 3.543 0 40 FHAB CCC(=O)N1CCCc2cc(NC(=O)COc3cccc(C)c3)ccc21 8768672 SINOMBIJMQUIBW-UHFFFAOYSA-N 352.434 3.702 0 40 FHAB CCCCC(=O)N1CCN(c2nc(C)cc(Nc3ccc(C)cc3)n2)CC1 9573231 MSCPRSFJWSJGGL-UHFFFAOYSA-N 367.497 3.676 0 40 FHAB COc1ccc(SCCC(=O)Nc2nnc(-c3cccs3)o2)cc1 10219623 MXMDMTVDJOKPAC-UHFFFAOYSA-N 361.448 3.928 0 40 FHAB O=C(Cn1cnc(-c2ccccc2)cc1=O)Nc1ccc(C(F)(F)F)cc1 13806370 FTZPPJVLTTZQJV-UHFFFAOYSA-N 373.334 3.568 0 40 FHAB COc1ccc(NC(=O)c2cccnc2Oc2ccc3c(c2)OCO3)cc1 15085242 OOQKKUJFCWRMGA-UHFFFAOYSA-N 364.357 3.864 0 40 FHAB COc1ccccc1C1(C(=O)N2CCC(Oc3ccsc3)CC2)CC1 575617996 CXEGUEOXTDNZHT-UHFFFAOYSA-N 357.475 3.858 0 40 FHAB COc1ccc(CNc2nccn(Cc3ccc(Cl)cc3)c2=O)cc1 9320280 OFQCISXHWOWSTJ-UHFFFAOYSA-N 355.825 3.566 0 40 FHAB COc1ccc(CN2CCC[C@H]3NC[C@H](c4ccc(F)cc4)[C@H]32)cc1OC 19561039 IHOQYEBOYWPCPN-WOIUINJBSA-N 370.468 3.563 0 40 FHAB Cc1ccccc1OCCN(C)C(=O)c1ccccc1OC[C@@H]1CCCO1 40015862 AJAFPUOAVTXZQG-SFHVURJKSA-N 369.461 3.704 0 40 FHAB COc1ccc(N[C@@H](C)C(=O)N(C)Cc2ccccc2)cc1OC(F)F 40049973 ULQSPORPPBPMKN-ZDUSSCGKSA-N 364.392 3.756 0 40 FHAB CCCN(CCC)C(=O)Nc1cc2c(cc1Br)OCCO2 40103741 ZWOIBMMGCXRHFL-UHFFFAOYSA-N 357.248 3.874 0 40 FHAB Cc1cc(NC(=O)[C@H](C)Sc2nccn2-c2cccc(C)c2C)on1 29036177 GCKSSQPVVCZYBA-AWEZNQCLSA-N 356.451 3.905 0 40 FHAB O=C(Cc1cccc(C(F)(F)F)c1)NC[C@H](c1ccco1)N1CCCC1 7597297 CUXXXPQKMBWOCB-MRXNPFEDSA-N 366.383 3.794 0 40 FHAB C[C@H](Sc1nncn1C1CC1)C(=O)Nc1nc(-c2ccccc2)cs1 11721233 WWAPFGAPGZZHST-NSHDSACASA-N 371.491 3.856 0 40 FHAB COc1cccc(C(=O)Nc2ccccc2I)c1 834215 SMJGBSLVNUAQMI-UHFFFAOYSA-N 353.159 3.552 0 40 FHAB Cc1ccc(N[C@@H](NC(=O)c2ccccn2)C(Cl)(Cl)Cl)cc1 836835 YXFOQVHWWKLSAF-AWEZNQCLSA-N 358.656 3.928 0 40 FHAB Cc1ccccc1C1=NC(C(F)(F)F)(C(F)(F)F)N=C(N(C)C)O1 1036962 DVLJICJBFGYNOU-UHFFFAOYSA-N 353.266 3.510 0 40 FHAB Cc1nc(NC(=O)COc2ccccc2)sc1C(=O)Nc1ccccc1 1378897 WEQYSAYUKCUIJQ-UHFFFAOYSA-N 367.430 3.721 0 40 FHAB CCOC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 3465744 KBNWCQVISHINNQ-UHFFFAOYSA-N 357.410 3.729 0 40 FHAB CCN(Cc1ccccc1)C(=O)CSc1nc2ccc(OC)cc2[nH]1 4274582 TYZDMTKTICSFEE-UHFFFAOYSA-N 355.463 3.712 0 40 FHAB CCc1ccc2nc(NC(=O)c3cnn4c(C)cc(C)nc34)sc2c1 32795827 LRFSMAKAKIVKNO-UHFFFAOYSA-N 351.435 3.771 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1OC 6649345 DGUVWMUKGUYQGO-BUHFOSPRSA-N 352.434 3.877 0 40 FHAB C[C@@H]1[C@@H](NC(=O)CSc2nnc(-c3ccccc3)n2C)CCC[C@H]1C 102400193 ZAMMALASRWSUMX-YCPHGPKFSA-N 358.511 3.515 0 40 FHAB CCN(CC)C(=O)c1ccc(NC(=O)CSc2ccc(OC)cc2)cc1 7294733 NFQQFHKIBMHLAA-UHFFFAOYSA-N 372.490 3.908 0 40 FHAB Fc1ccc(-c2[nH]ncc2CN2CCN(c3ccccc3F)CC2)cc1 10003148 ZSACTAHVPVCADJ-UHFFFAOYSA-N 354.404 3.677 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccccc1OC 8041686 TZDZTMWBRGLMKM-INIZCTEOSA-N 357.406 3.668 0 40 FHAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)NC(C)C 2627287 PEAJHIDZSNMVIK-UHFFFAOYSA-N 362.429 3.892 0 40 FHAB O=C(O)c1cc(Cl)c(NC(=S)NC(=O)c2ccccc2)c(Cl)c1 59843108 ZCVAVILBWFPKCT-UHFFFAOYSA-N 369.229 3.818 0 40 FHAB CC(C)N(CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccccc1 22134709 MEEOXVVIWNGAJZ-UHFFFAOYSA-N 365.477 3.663 0 40 FHAB Cn1c(SCC(=O)c2cc3c(cc2F)NC(=O)CC3)nc2ccccc21 42108057 DVDXTFBWXSWHTD-UHFFFAOYSA-N 369.421 3.572 0 40 FHAB CCCCn1c(CCNC(=O)c2ccccc2OC)nc2ccccc21 2721413 RBVIOFLXROJNIX-UHFFFAOYSA-N 351.450 3.818 0 40 FHAB C[C@H]1CCc2c(sc3ncn4nc(-c5ccnn5C(F)F)nc4c23)C1 2797642 UKCHQTNWCSCPOV-QMMMGPOBSA-N 360.393 3.722 0 40 FHAB CCC(=O)Nc1ccc2nc(SCC(=O)NC(C)(C)C)sc2c1 896561 YLOCHZBEBTVTKV-UHFFFAOYSA-N 351.497 3.652 0 40 FHAB O=C(COc1ccc(Oc2ccccn2)cc1)Oc1ccc2c(c1)OCO2 23055679 XLSXVQBJAKSLMV-UHFFFAOYSA-N 365.341 3.587 0 40 FHAB O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1n[nH]c2ccccc12 23055199 DAUSCLKFUPBSNH-HXUWFJFHSA-N 367.412 3.959 0 40 FHAB CC(=O)N1CCN(Cc2nc(-c3ccc4ccccc4c3)cs2)CC1 72074575 AIARLIUVLCZEEM-UHFFFAOYSA-N 351.475 3.627 0 40 FHAB COc1cc2ccccc2cc1C(=O)NC[C@H](c1cccs1)N(C)C 23243432 WCNGLYKQWKVZKW-QGZVFWFLSA-N 354.475 3.943 0 40 FHAB COc1c(C)cccc1C(=O)NC(=S)Nc1cccc2nc(C)ccc12 57315809 DLFMKOGINPFBQC-UHFFFAOYSA-N 365.458 3.987 0 40 FHAB O=C(NCCc1cccs1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 25717272 VMJPMGITYDMFAI-INIZCTEOSA-N 364.470 3.613 0 40 FHAB Cc1noc(NC(=O)c2cc3ccccc3n2Cc2ccccc2F)n1 56912741 GZUFXJFPPPRIQM-UHFFFAOYSA-N 350.353 3.772 0 40 FHAB COc1ccc(NC(=O)c2cccnc2NCc2ccccc2OC)cc1 22072081 DPWZZMAFHVFAMM-UHFFFAOYSA-N 363.417 3.963 0 40 FHAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1cc(C)cc(C)c1)cn2C 22237163 PJNWKXUMQQLLAA-UHFFFAOYSA-N 350.418 3.806 0 40 FHAB Cc1cc(C)n(CCCNC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)n1 58166816 VVQJCIIZJLKZPQ-QGZVFWFLSA-N 354.498 3.829 0 40 FHAB C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCCc1nccn1C(F)F 58247333 DGVAUKPPDSSNGY-ZDUSSCGKSA-N 365.424 3.702 0 40 FHAB CC(C)CN(C(=O)/C=C/c1cccc2ccccc12)[C@@H]1CCS(=O)(=O)C1 10431517 GBFWNKHNTRDZAT-GNISGLHKSA-N 371.502 3.525 0 40 FHAB CCn1c(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)nc2ccccc21 10650969 ZLMDALFHJKWKDS-LLVKDONJSA-N 366.446 3.741 0 40 FHAB Cc1ccn(C(=O)c2cc(=O)[nH]c3ccccc23)/c(=N/C2CCCCC2)c1 10799621 WBRAYYKXGUWURM-BSYVCWPDSA-N 361.445 3.560 0 40 FHAB CC[C@@H](C)NC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc12 2367086 GBXPCIKAWPZVFH-CQSZACIVSA-N 373.460 3.993 0 40 FHAB COc1cc(C)c(NC(=O)c2cc(C)nc3c2cnn3C(C)C)cc1OC 10961995 NAPRRMRKYZJADD-UHFFFAOYSA-N 368.437 3.899 0 40 FHAB CCOC(=O)c1ccsc1NC(=O)CN1c2ccccc2CC[C@H]1C 11193084 GSMUGDSAVTUSOP-CYBMUJFWSA-N 358.463 3.705 0 40 FHAB Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2cc(C)ccc2C)c1 2401119 DNVRANSDLCQRAO-UHFFFAOYSA-N 373.456 3.620 0 40 FHAB Cc1ccc2c(CC(=O)NCCCN3CCCCCC3=O)coc2c1C 36626062 ATIBRDCEXUJZHI-UHFFFAOYSA-N 356.466 3.501 0 40 FHAB Cc1cccc(NC(=O)COC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 45679343 TXJOODYXWUFMKL-UHFFFAOYSA-N 365.389 3.513 0 40 FHAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1nc2ccccc2s1 3313393 BYKIRIIRHMWLJF-HXUWFJFHSA-N 363.442 3.580 0 40 FHAB CN(C)C[C@@H](NC(=O)c1cccc(NC(=O)C(C)(C)C)c1)c1ccccc1 12773400 UQAAGQFAFKMHHT-LJQANCHMSA-N 367.493 3.704 0 40 FHAB Cn1ccnc1COc1ccc(NC(=O)CCC(=O)c2ccccc2)cc1 48365099 KLFVCGZVXILNLU-UHFFFAOYSA-N 363.417 3.601 0 40 FHAB O=S(=O)(N[C@@H]1CCSc2c(F)cccc21)c1ccc(F)cc1F 12898168 UPCRSPGOBXAFCR-CYBMUJFWSA-N 359.394 3.619 0 40 FHAB CCOc1cc2c(cc1N[C@H](C)C(=O)NCc1cccs1)O[C@H](C)C2 12807697 QSWWQDHSSBCMKO-CHWSQXEVSA-N 360.479 3.587 0 40 FHAB CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccccc1OC 8666385 ZMFRGUZEBKHUTN-UHFFFAOYSA-N 350.418 3.507 0 40 FHAB CCOc1c(Cl)cc(/C=C/C(=O)Nc2c(C)nn(C)c2C)cc1OC 12806089 JBVFELIQOPWTLV-BQYQJAHWSA-N 363.845 3.750 0 40 FHAB CCN(CC)C(=O)c1ccc(NC(=O)NCCc2ccc(OC)cc2)cc1 62582098 QEQPUJYKONOTIB-UHFFFAOYSA-N 369.465 3.541 0 40 FHAB COc1ccccc1NC(=O)[C@@H](C)Oc1ccc(F)c2c1C(=O)C[C@H]2C 12931345 LXOJAOMPNGZIIY-VXGBXAGGSA-N 357.381 3.930 0 40 FHAB CC(=O)NCc1ccc(-c2csc(CC(=O)Nc3cccc(C)c3)n2)o1 12903194 UDDNGRUJYHOHOF-UHFFFAOYSA-N 369.446 3.529 0 40 FHAB O=C([C@@H]1Cc2ccccc2O1)N1CCC[C@H]1c1nc2ccccc2s1 12925930 LHEDJTXNRZDUEB-RDJZCZTQSA-N 350.443 3.964 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)CSc1nc(C)cc(C)n1 13006203 IAOUAWOPLBDJEH-UHFFFAOYSA-N 351.859 3.795 0 40 FHAB Cc1nc2cc(O)nn2c(C)c1CCC(=O)Nc1cccc2c1CCCC2 64316780 SHDZRQJCXLGNBH-UHFFFAOYSA-N 364.449 3.502 0 40 FHAB Cc1cc(C)c(NC(=O)CN(C)Cc2nnc(-c3ccccc3)o2)c(C)c1 8202737 SUGVUFWFBPFSPS-UHFFFAOYSA-N 364.449 3.732 0 40 FHAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccccc4)c3)C(=O)[C@@H]2C1 408685811 RPTKFAMUIUKIJI-RBUKOAKNSA-N 360.413 3.785 0 40 FHAB CCOC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2-c1ccccn1 6319074 HMCNYMDKAHMRIU-UHFFFAOYSA-N 358.401 3.968 0 40 FHAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1cccc(CN2CCCC2)c1 65553527 YXBLTSUIPZWZIG-FQEVSTJZSA-N 363.505 3.539 0 40 FHAB O=S(=O)(/C=C/c1ccccc1)Nc1ncnc2sc3c(c12)CCC3 6623231 HANOHWSWWVJGPP-MDZDMXLPSA-N 357.460 3.593 0 40 FHAB COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1O 409008425 YGDZQAWCPWPDHO-ATVHPVEESA-N 355.415 3.680 0 40 FHAB C[C@@H]1CCCN([C@@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)C1 6721027 OUNDQKWISRTBFZ-VFNWGFHPSA-N 370.880 3.764 0 40 FHAB Clc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2N2CCCC2)c1 6994781 MFHFVFFFGNWDLY-HNNXBMFYSA-N 364.902 3.792 0 40 FHAB COc1ccc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)c(OC)c1 5916369 TXRAPBOQTSWOQW-LDADJPATSA-N 369.442 3.983 0 40 FHAB O=C(Cc1cccc2ccccc12)NCc1ccc(N2CCCC2=O)cc1 7490424 QAFBNKXGFVBHGB-UHFFFAOYSA-N 358.441 3.826 0 40 FHAB Cc1ccc(-c2cc(C(=O)NC[C@H](c3cccs3)N(C)C)no2)cc1 15859724 CZCAYPMWXOGNTE-MRXNPFEDSA-N 355.463 3.744 0 40 FHAB COc1ccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)c(F)c1 8772652 QAZGIGHJJWSFMZ-UHFFFAOYSA-N 371.330 3.843 0 40 FHAB Cc1cccc(OCc2nn3c(-c4ccc(N(C)C)cc4)nnc3s2)c1 8706863 WVMWSSCOUILUBI-UHFFFAOYSA-N 365.462 3.806 0 40 FHAB Cc1cc(C)c(SCC(=O)Nc2ccccc2SCC(N)=O)c(C)c1 8757003 MRQGYOMJXHEMOT-UHFFFAOYSA-N 374.531 3.920 0 40 FHAB Cc1cccc(C)c1N1C(=O)C/C(=C/c2coc3ccccc3c2=O)C1=O 8991693 JUUQIKUYANWUME-GDNBJRDFSA-N 359.381 3.757 0 40 FHAB COC(=O)[C@]12CCC[C@@H]1CN(C(=O)c1sccc1-c1ccccc1)C2 96007865 XMXZTRGLBGASOQ-QRWLVFNGSA-N 355.459 3.830 0 40 FHAB CCn1nc(C(=O)N(C)[C@@H]2CCCc3ccccc32)c2ccccc2c1=O 9596526 GFUDHALXOUPAKU-LJQANCHMSA-N 361.445 3.566 0 40 FHAB Cc1n[nH]c(-c2ccc(S(=O)(=O)N(C)Cc3ccccc3)s2)c1C 9686639 PQOTXRVCAOZNQK-UHFFFAOYSA-N 361.492 3.576 0 40 FHAB COCCn1ccc2c(NC(=O)CCc3ccccc3OC)cccc21 72325402 LJGKVWMCLHNWCI-UHFFFAOYSA-N 352.434 3.868 0 40 FHAB biogenic CCOc1ccc(NC(=O)CCN(Cc2ccsc2)C2CC2)cc1CO 72305150 VVBQGHUNKZDJEO-UHFFFAOYSA-N 374.506 3.632 0 40 FHAB COc1ccc2c(c1)C[C@@H](C(=O)N1CCCCC[C@H]1c1ccncc1)CO2 78933474 YFBLCAZVSPATKP-QUCCMNQESA-N 366.461 3.785 0 40 FHAB COc1ccc([C@@H](C)NC(=O)c2cc3ccc(OC)cc3[nH]2)c(OC)c1 84651691 YYWMGSXWIPKNTG-GFCCVEGCSA-N 354.406 3.685 0 40 FHAB Cn1cc([C@H](Nc2cc(-c3ccccc3)nc3ncnn23)C(C)(C)C)cn1 95409783 AGIYPYQGURDDHZ-SFHVURJKSA-N 361.453 3.724 0 40 FHAB O=C(CNC(=O)OCc1ccccc1)Nc1ccc2cccc(Cl)c2n1 95468564 SOUPRHGSSLDDDZ-UHFFFAOYSA-N 369.808 3.753 0 40 FHAB COC(=O)/C=C/c1ccc(OCc2cccc(-n3cccn3)c2)c(OC)c1 95997526 CAQFCRGWDWKJGD-CSKARUKUSA-N 364.401 3.646 0 40 FHAB CC(C)(C)n1ncc2c(NCc3ncc(-c4cccs4)o3)ncnc21 95980564 FHZYZTBJNXRXCF-UHFFFAOYSA-N 354.439 3.910 0 40 FHAB CC(C)[C@@H](NC(=O)NCCc1cccs1)c1ccc2c(c1)OCCO2 9977024 PRZVHTJSSCQYJL-GOSISDBHSA-N 360.479 3.758 0 40 FHAB COC(=O)c1cc(NC(=O)Nc2cccc(NC(C)=O)c2)cc2[nH]ccc12 554762547 ONFFSZZUHSOJGT-UHFFFAOYSA-N 366.377 3.557 0 40 FHAB CCCCC[C@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCCCOC)[C@@H](O)C[C@H]1O 39178268 VWEVSUSNDAHANL-KTPLPYSXSA-N 354.531 3.605 0 40 FHAB Cc1ccccc1SCC(=O)NCc1ccc(OC[C@H]2CCCO2)cc1 32930214 PYDRJIJIFGCFSY-LJQANCHMSA-N 371.502 3.961 0 40 FHAB COc1ccc(-c2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)cc1 4340038 JMYCCNYKKPNXKC-UHFFFAOYSA-N 353.374 3.837 0 40 FHAB biogenic COc1ccc(CCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 38848954 RJMWDLURWHBIIH-UHFFFAOYSA-N 366.505 3.900 0 40 FHAB CC(C)Cc1cc(-c2nnc3sc(Cc4ccc(F)cc4)nn23)n(C)n1 79480956 IWMWRPSMNTWJND-UHFFFAOYSA-N 370.457 3.515 0 40 FHAB CCn1c(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)nc2ccccc21 36398134 RAUBFNILIIXZOP-CYBMUJFWSA-N 357.841 3.793 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)nc2O)cc1 32778594 GADHFQAKDNYGBZ-UHFFFAOYSA-N 366.446 3.592 0 40 FHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)COc1ccccc1 223615407 DRUQWWFXOGGDPO-SJORKVTESA-N 353.462 3.916 0 40 FHAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC)c(C(=O)OCC)c1 225838776 VGFHPDPVPNWHNE-LJQANCHMSA-N 351.443 3.796 0 40 FHAB COC(=O)c1ccccc1NC(=O)c1snnc1-c1ccc(Cl)cc1 225770644 BKEOICUWTAEXNL-UHFFFAOYSA-N 373.821 3.897 0 40 FHAB CCOc1ncc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1C 225873842 JCUPZAFLRWEMSJ-UHFFFAOYSA-N 354.450 3.784 0 40 FHAB O=c1[nH]c(N2CCc3ccccc32)nc2nccc(/C=C/c3ccco3)c12 40388584 GAUDVLKIUDYDFV-BQYQJAHWSA-N 356.385 3.776 0 40 FHAB CCOCc1cc(C(=O)Nc2cccc(NC(C)=O)c2)ccc1OCC 224700685 KBGGYQLKNQTSJW-UHFFFAOYSA-N 356.422 3.833 0 40 FHAB CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCCC(C)C 223048909 PGKIPYBIFISDBX-QFIPXVFZSA-N 366.505 3.809 0 40 FHAB Cc1ccc(NC(=O)N2CC[C@@]3(C[C@H]3C(=O)NCc3cccs3)C2)cc1 96075105 NIOOTVKADULZQV-FXAWDEMLSA-N 369.490 3.617 0 40 FHAB Cn1nccc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257258509 KUIAXFIHTXIHNE-QGZVFWFLSA-N 368.412 3.505 0 40 FHAB CC[C@@H]1CCCCN1c1nn(-c2cccc(C(F)(F)F)c2)nc1C(=O)O 256046142 DAWJAAJVNDDAKG-GFCCVEGCSA-N 368.359 3.753 0 40 FHAB CCOC(=O)/C(=C\c1cccc(OCCOC)c1)c1ccc(OCC)cn1 585079758 PXQYXDQDHJKSLD-RGEXLXHISA-N 371.433 3.609 0 40 FHAB CC(C)N(C)c1cccc(NC(=O)N2CCC[C@@H](N3CCCC3=O)CC2)c1 585140139 SDJUPXANOPKBMD-GOSISDBHSA-N 372.513 3.540 0 40 FHAB O=C(CC1CCOCC1)N1CCC(Cc2ccnc3ccccc23)CC1 257290827 QEMLZTPGPXTQHU-UHFFFAOYSA-N 352.478 3.833 0 40 FHAB CN1CCC(Cc2cccc(N3C(=O)OC[C@@H]3Cc3ccccc3)n2)CC1 257314451 UXAIXYQBRLBFEK-FQEVSTJZSA-N 365.477 3.534 0 40 FHAB O=C(Nc1nccs1)c1cccc([C@H]2CCCN2Cc2cncs2)n1 257281931 ORNSLNPDIKPFLS-OAHLLOKOSA-N 371.491 3.584 0 40 FHAB COc1cc2c(c(OC)c1)CN(C(=O)c1cccc(-n3cccc3)c1)CC2 1775996965 OLHYASXIDZNLHN-UHFFFAOYSA-N 362.429 3.693 0 40 FHAB O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CC[C@@](O)(C2CC2)C1 1320967015 YGHGMWSRKQSEHW-QHCPKHFHSA-N 373.456 3.526 0 40 FHAB O=C(Nc1cc(Cl)ccc1Cl)N1CCN(Cc2cscn2)CC1 56520382 MVPFKUZBTQZTGQ-UHFFFAOYSA-N 371.293 3.800 0 40 FHAB O=C(C1CCCCC1)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1 12129446 OJVQIIPXRZKSSX-MRXNPFEDSA-N 371.506 3.716 0 40 FHAB COc1ccc([C@@H]2[C@@H](NCc3cnc(C)nc3)[C@@H]3CCCC[C@H]32)cc1OC 19287278 NVDHWQJIGBHMKE-UBBRYJJRSA-N 367.493 3.864 0 40 FHAB CCc1nn(C)c(C(=O)N[C@H](Cc2ccsc2)c2nc(C)cs2)c1C 19521052 XVIMQIAVJLSMTI-OAHLLOKOSA-N 374.535 3.831 0 40 FHAB Cc1nc(C)c(CC(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)s1 19560385 NMRQCUXHRFBLLU-OAHLLOKOSA-N 362.470 3.759 0 40 FHAB O=C(NC1CCCC1)c1cc(C2CCN(C(=O)CC3CCCC3)CC2)no1 19292195 PZWKOQICLBLXFQ-UHFFFAOYSA-N 373.497 3.633 0 40 FHAB CCCn1ccnc1S[C@@H](C)C(=O)c1ccc2c(c1)CCN2C(C)=O 26042101 RNIYNJOOGYRERG-ZDUSSCGKSA-N 357.479 3.566 0 40 FHAB CC[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccc(Cl)cc1 28505732 RIDZSEYRNJFEES-RHSMWYFYSA-N 360.841 3.549 0 40 FHAB CCCCC(=O)Nc1nnc(SCC(=O)Nc2cccc(C)c2)s1 4077810 WNANHJGRAJMBPU-UHFFFAOYSA-N 364.496 3.706 0 40 FHAB CCOc1ccc(-n2ccnc(SCC(=O)c3ccccc3)c2=O)cc1 4853181 PZTAGXKBBSGNBF-UHFFFAOYSA-N 366.442 3.606 0 40 FHAB CC(C)c1ccc(NC(=O)CCC2=Nc3ccccc3S(=O)(=O)N2)cc1 12415203 VSOUOHHMMPFNNN-UHFFFAOYSA-N 371.462 3.551 0 40 FHAB Cc1ccc([C@@H](c2sc3ncnn3c2O)N2C[C@@H](C)C[C@@H](C)C2)cc1 13144152 QSFMLTRNMJEJIR-LZWOXQAQSA-N 356.495 3.872 0 40 FHAB CS(=O)(=O)c1ccc(CCC(=O)N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)cc1 1775974043 UUAMCLUAJOMLEU-OALUTQOASA-N 373.518 3.513 0 40 FHAB O=C(Cc1ccc(Cl)cc1)NCC1CCN(Cc2cccs2)CC1 23016821 JKDRDUUFMVEBRM-UHFFFAOYSA-N 362.926 3.972 0 40 FHAB O=C(NCc1cncc(-c2ccsc2)c1)Nc1ccc2c(c1)OCO2 206949138 RIIRMSCGMHZGNK-UHFFFAOYSA-N 353.403 3.861 0 40 FHAB CC(=O)Nc1ccc(CC(=O)NCc2ccnc(-c3ccsc3)c2)cc1 225755546 ZRWQSDCSGXDCHO-UHFFFAOYSA-N 365.458 3.627 0 40 FHAB COc1ccc(-c2noc(-c3nnn(-c4cccc(C)c4)c3C)n2)cc1F 49001911 CBQTVQILWRGALB-UHFFFAOYSA-N 365.368 3.749 0 40 FHAB CCCCOc1ccc(C(=O)NCc2cncc(-c3ccnn3C)c2)cc1 575617163 STVPLVWYMHNBDD-UHFFFAOYSA-N 364.449 3.591 0 40 FHAB Cc1nccc(O[C@H]2CCN(C(=O)Cc3ccc(SC(C)C)cc3)C2)n1 585147082 DWFHSNUZVGNTFZ-KRWDZBQOSA-N 371.506 3.508 0 40 FHAB O=S(=O)(Nc1cccc(Cn2cccn2)c1)c1ccc2c(c1)CCCC2 31722485 ODXSCTAXFXWWPH-UHFFFAOYSA-N 367.474 3.611 0 40 FHAB CCn1c(CNc2ccc(F)cc2)nnc1SCCN1CCCCC1 873970 XVUFPWQPHVNMTC-UHFFFAOYSA-N 363.506 3.627 0 40 FHAB CC(C)Cc1ccc(CC(=O)Nc2ccc(-n3cncn3)c(F)c2)cc1 60016639 HEVJIRUKOBJZEJ-UHFFFAOYSA-N 352.413 3.786 0 40 FHAB CC(C)c1ccc2nc(-c3cccnc3)cc(C(=O)N3CCN=C(O)C3)c2c1 32104038 ARAZEMCGPPOWSK-UHFFFAOYSA-N 374.444 3.833 0 40 FHAB Cn1c(S[C@@H]2CCc3ccccc3NC2=O)nnc1-c1cccs1 20729040 MIOQHAZZSHHBHP-CQSZACIVSA-N 356.476 3.589 0 40 FHAB O=C(CCC(=O)OCC(=O)c1ccc2ccccc2c1)Nc1ccccc1 1839052 LBHXZDRXSSCLHE-UHFFFAOYSA-N 361.397 3.985 0 40 FHAB Cc1ccc(C)c(OCCCC(=O)Nc2nnc([C@@H]3CCCO3)s2)c1 1903959 GQCVPWJLZDJNKC-AWEZNQCLSA-N 361.467 3.804 0 40 FHAB CNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1C 6334757 FJVKUNKGDLSUPZ-UHFFFAOYSA-N 372.881 3.734 0 40 FHAB Cc1sc2ncn(CC(=O)C34CC5CC(CC(C5)C3)C4)c(=O)c2c1C 7382551 IQJVOTUUZHSOLV-UHFFFAOYSA-N 356.491 3.860 0 40 FHAB Cc1ccc2nc3n(c2c1)CN(Cc1ccccc1)CN3C[C@@H]1CCCO1 7496207 LOZRDSRTIKXLPH-IBGZPJMESA-N 362.477 3.761 0 40 FHAB COc1ccc(-c2ccc(CCC(=O)NCc3nc(C)cs3)o2)cc1 21482987 QFAHNLPNCJIJAD-UHFFFAOYSA-N 356.447 3.969 0 40 FHAB C[C@@H]1CN(Cc2csc(NC(=O)C[C@@H]3C[C@@H]4CC[C@@H]3C4)n2)C[C@@H](C)O1 102694719 XVUHSBOELMAKFU-QCODTGAPSA-N 363.527 3.517 0 40 FHAB O=C(NCCOc1ccccc1F)NCCc1ccc(C(F)(F)F)cc1 32862815 WWDRPQGYXIJKDJ-UHFFFAOYSA-N 370.346 3.765 0 40 FHAB COc1ccc(C(=O)C2CCN(C(=O)Nc3ccccc3F)CC2)cc1 10464551 CFLYCTGFVYRWPE-UHFFFAOYSA-N 356.397 3.961 0 40 FHAB O=C(Cc1ccc2c(c1)CCCC2)Nc1cccc(-c2nnnn2C2CC2)c1 22320475 BGLCXLGVZYCGMJ-UHFFFAOYSA-N 373.460 3.735 0 40 FHAB COc1cc(CNC(=O)Nc2cccc(NC(=O)C(C)C)c2)cc(OC)c1 47486954 DGWWBQOMHSMEDW-UHFFFAOYSA-N 371.437 3.620 0 40 FHAB O=S(=O)(c1ccc2c(c1)CCC2)N(Cc1cccnc1)Cc1ccco1 22834358 PECGZRBTCAEBGJ-UHFFFAOYSA-N 368.458 3.554 0 40 FHAB O=C(CCc1ccc2ccccc2n1)O[C@H](C(=O)NC1CC1)c1ccccc1 17890370 TYOAVIIOVZFLMQ-QFIPXVFZSA-N 374.440 3.731 0 40 FHAB COc1ccc(S[C@@H](C)C(=O)NCCCN2CCc3ccccc32)cc1 20461987 OSDZPKRKOZKJOV-INIZCTEOSA-N 370.518 3.745 0 40 FHAB O=C(CCN1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1)NC1CC1 54344721 DOKBXJNYQOJGAN-UHFFFAOYSA-N 369.292 3.557 0 40 FHAB CC(C)n1ncc2cc(C(=O)NCCCn3ccc4ccccc43)cnc21 12590191 PZPWICOJDORNJN-UHFFFAOYSA-N 361.449 3.787 0 40 FHAB CCOc1cc2c(cc1NS(=O)(=O)c1ccc(CC)cc1)O[C@@H](C)C2 12584893 DECZHKGQLZKGFN-ZDUSSCGKSA-N 361.463 3.772 0 40 FHAB CC(C)(C)c1ccc(C(=O)NC(=S)/N=c2\[nH]c3c(s2)CCCC3)cc1 3295223 NRCOVFCHCPUKBE-UHFFFAOYSA-N 373.547 3.868 0 40 FHAB aggregator CCOC(=O)[C@@H]1CCCN(C(=O)c2ccccc2Nc2ccccc2)C1 25764356 UYGMUEDBSRNJBG-MRXNPFEDSA-N 352.434 3.846 0 40 FHAB Cc1cc(OCCn2c([C@H](C)NC=O)nc3ccccc32)ccc1Cl 35145598 GKAHFKKDDIETLF-AWEZNQCLSA-N 357.841 3.884 0 40 FHAB CC(C)[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)n1nnc(-c2ccccc2)n1 58009076 QRUWLQFKHAVNPF-KBXCAEBGSA-N 367.428 3.554 0 40 FHAB O=C(Nc1cccc2nsnc12)c1cc(=O)c2cc(Cl)ccc2o1 35672785 WENHWDLIVVABFC-UHFFFAOYSA-N 357.778 3.703 0 40 FHAB COC(=O)c1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 61108944 DVFLSRBSNQXUOE-UHFFFAOYSA-N 363.417 3.587 0 40 FHAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)NC[C@H]1CCCN1C 58158575 AQMVFPYXMOWFTD-MRXNPFEDSA-N 361.873 3.836 0 40 FHAB COc1ccc(OCCNC(=O)c2ccc(-c3ccccc3)nc2C)cc1 10292353 DXICWTMBXBGTAK-UHFFFAOYSA-N 362.429 3.874 0 40 FHAB CCOc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 27989942 LJXXZBUAYCZSKR-FQEVSTJZSA-N 352.478 3.961 0 40 FHAB Cc1cc(C)n(CCCNC(=O)c2ccccc2C(=O)c2ccccc2)n1 12776149 XYXILCRCCDKRMJ-UHFFFAOYSA-N 361.445 3.551 0 40 FHAB Cc1ccc(C(=O)CSc2nnc(Cc3ccccc3C)c(O)n2)cc1 36646240 CKTMNFHRQLECHU-UHFFFAOYSA-N 365.458 3.760 0 40 FHAB C[C@H](Sc1nnnn1Cc1ccccc1)C(=O)c1cccc(Cl)c1 12882768 FGXSMTVPRDMHAU-LBPRGKRZSA-N 358.854 3.738 0 40 FHAB CCOc1ccc(NC(=O)NCC(=O)Nc2ccc(C)cc2)cc1OCC 12925661 GPWCFWBOKAUUAA-UHFFFAOYSA-N 371.437 3.553 0 40 FHAB O=C(COc1ccccc1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 24931071 SRPVJGCRAVAPAG-FQEVSTJZSA-N 361.445 3.504 0 40 FHAB COc1ccc(-n2ccnc2SCC(=O)c2cc(C)n(C)c2C)cc1 5178184 NPZLKNSTHGHPSG-UHFFFAOYSA-N 355.463 3.811 0 40 FHAB Cc1cc(OCC(=O)Nc2ccc(C)c(C)c2)nc(N2CCCCCC2)n1 65101760 CGGAHEDWHXTZSV-UHFFFAOYSA-N 368.481 3.800 0 40 FHAB CCN1CCN(c2c(Cl)cccc2NC(=O)/C=C/c2ccco2)CC1 6205561 KGRWDUYPFFUWPK-CMDGGOBGSA-N 359.857 3.727 0 40 FHAB NC(=O)c1ccc(CSc2nnc(-c3c[nH]c4ccccc34)o2)cc1 14137752 OJBJTVJSXZLOSI-UHFFFAOYSA-N 350.403 3.609 0 40 FHAB CSc1nc(N)nc2sc(C(=O)c3ccc(Cl)s3)c(N)c12 5478319 IXAKZHBHVUJUGT-UHFFFAOYSA-N 356.885 3.524 0 40 FHAB COc1ccc(C(=O)CSc2nnc(Cc3ccccc3)o2)cc1F 5428872 SMSZVESOZCEMSS-UHFFFAOYSA-N 358.394 3.783 0 40 FHAB O=C(COC(=O)c1cnc(Cl)c(Cl)c1)NC1CCCCCCC1 6861672 QGSHDZADNFZLBM-UHFFFAOYSA-N 359.253 3.774 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4976828 WAICTUHVRDQKRN-UKRRQHHQSA-N 354.837 3.671 0 40 FHAB Cc1ccccc1N1C[C@@H](C(=O)Nc2cccc(Br)c2)CC1=O 4975538 IBNUZVXAEUTQJX-ZDUSSCGKSA-N 373.250 3.749 0 40 FHAB O=C(NCCc1cccs1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 67036854 OMKGHJDJIQIHMV-INIZCTEOSA-N 368.861 3.866 0 40 FHAB Cc1nc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cs1 7088159 NRWYOTLKBQAWQW-SFHVURJKSA-N 365.414 3.951 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc3ccccc3n2C)c1 8807701 VZAINUSUVHHFEG-ZDUSSCGKSA-N 353.447 3.895 0 40 FHAB COc1ccc(OC)c(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 7106627 VVMIWYMOVHKNFR-UHFFFAOYSA-N 374.868 3.628 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(NCC(C)C)s2)c1C 7249699 RKPZYCNKYQVUTC-UHFFFAOYSA-N 366.512 3.729 0 40 FHAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C)C(C)(C)C)cc1 80652647 KZTZFSGGYBEVQT-GFCCVEGCSA-N 362.499 3.557 0 40 FHAB COc1ccc(-c2csc3nc(C)nc(-n4ccnc4)c23)cc1OC 7988393 OCURIQIJUFESPC-UHFFFAOYSA-N 352.419 3.870 0 40 FHAB COc1ccc2cc(CNC(=O)CCc3nc4ccccc4[nH]3)ccc2c1 9760704 PYNIBMCESGJZMR-UHFFFAOYSA-N 359.429 3.974 0 40 FHAB O=S(=O)(C[C@@H]1CSc2nc3ccccc3n21)c1ccc(Cl)cc1 19829275 PYEPQWRYMJLMDP-LBPRGKRZSA-N 364.879 3.810 0 40 FHAB CCOC(=O)C1CCC(N2CCN(C3CCC(C(C)C)CC3)CC2)CC1 93811069 ODUZKKMBZNSFLD-UHFFFAOYSA-N 364.574 3.941 0 40 FHAB C[C@H](Sc1nc2ccccc2c(=O)n1C)C(=O)c1c[nH]c2ccccc12 9548729 CCXWTPZYPZPMRD-LBPRGKRZSA-N 363.442 3.778 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)N(C)Cc3cccs3)n2C)cc1 9501099 IYWBLHPJQVKSRB-UHFFFAOYSA-N 372.519 3.603 0 40 FHAB CC(C)[C@@H](NCC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1 9689680 WRQNQQHVPDZXIK-OAQYLSRUSA-N 365.477 3.504 0 40 FHAB O=C(CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)Nc1ccccc1F 408930726 BFXHRFMGVJWVHB-DHDCSXOGSA-N 374.368 3.640 0 40 FHAB CC(=O)c1cccc(NC(=O)N2[C@@H](c3ccccc3)CSC[C@H]2CO)c1 72289132 ZFZUHDVECQWGRQ-RTBURBONSA-N 370.474 3.572 0 40 FHAB CCOC(=O)c1cc(C)cc(Br)c1NC(=O)[C@@H](C)SC 76018060 YYXUQHBSZOYSAH-SECBINFHSA-N 360.273 3.624 0 40 FHAB CC(=O)N1CCc2cc(NCc3cnn(-c4ccc(F)cc4)c3)ccc21 97212515 DWYKQBBKUFAVJG-UHFFFAOYSA-N 350.397 3.533 0 40 FHAB Clc1ccc(CNCc2cc(Br)c3c(c2)OCCO3)cn1 78623780 SQXTYEZHWCNJMY-UHFFFAOYSA-N 369.646 3.559 0 40 FHAB CC1(C)CN(C(=O)C2CC2)CCN1Cc1cc(Cl)cc2cccnc12 95463855 VBQRBHBHLJZNPC-UHFFFAOYSA-N 357.885 3.721 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)nc1)c1cccc(Nc2ncccn2)c1 95479042 SHEAPRXLEUTEMD-UHFFFAOYSA-N 359.311 3.886 0 40 FHAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccco3)C2=O)c(C)c1 409371019 AGGAZISMNSSECL-OQLLNIDSSA-N 370.430 3.880 0 40 FHAB O=C(c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1)N1CCCCC1 64676655 MOEBBAANFYPFKZ-UHFFFAOYSA-N 367.840 3.609 0 40 FHAB CC(C)C(NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1)C(C)C 408546234 CYUYFJCPIVRLBO-UHFFFAOYSA-N 374.506 3.898 0 40 FHAB Cc1cc(C(C)(C)C)ccc1OC[C@H](O)Cn1nccc1-c1cccnc1 533675285 NOJJLWQTHGSPGA-LJQANCHMSA-N 365.477 3.991 0 40 FHAB COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1CC1CC1 72370284 MOMLBOTWLHMPOW-MRXNPFEDSA-N 372.534 3.694 0 40 FHAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)CSCc2ccc(F)cc2)C1 216327201 ANLIQVCKOXPDIN-HZPDHXFCSA-N 352.519 3.543 0 40 FHAB CCC[C@H](C)NS(=O)(=O)c1ccc(NC2CCCCC2)c(C(=O)O)c1 217657358 BVLCXIDHFCQZQT-ZDUSSCGKSA-N 368.499 3.596 0 40 FHAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(C)=O 223117953 ZREQMEGSPNYFCF-FQEVSTJZSA-N 372.896 3.826 0 40 FHAB COc1cc([C@@H](O)c2ccc3c(c2)OCC(C)(C)CO3)cc(OC)c1OC 225356753 PSYVQHZBLMODAE-IBGZPJMESA-N 374.433 3.592 0 40 FHAB COc1ccc2cc(S(=O)(=O)NCc3ccc(Cl)cc3)ccc2c1 223380038 HYAQHEGHWZVGBC-UHFFFAOYSA-N 361.850 3.980 0 40 FHAB Cc1ccc(CNC(=O)COc2nn(-c3ccccc3)cc2Cl)cc1 227151796 OHALOFQGEZRKND-UHFFFAOYSA-N 355.825 3.529 0 40 FHAB COc1ccc2cc(C(=O)Nc3ccc(OC)c(Cl)c3)c(=O)oc2c1 226042947 ZCDPFDLNMGABSN-UHFFFAOYSA-N 359.765 3.716 0 40 FHAB COc1ccc(CC(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)cc1 40106711 OTXBHLHDCXHDOA-UHFFFAOYSA-N 374.440 3.806 0 40 FHAB COc1ccccc1-c1cc(C(=O)NCCOc2cccc(Cl)c2)no1 40113573 WIGLYYZUWWVWRT-UHFFFAOYSA-N 372.808 3.812 0 40 FHAB O=C(NCc1ccnc(N2CCCCC2)n1)Nc1ccc(F)c(Cl)c1 224211264 TUPWJJNEDSTROV-UHFFFAOYSA-N 363.824 3.581 0 40 FHAB Cc1oc2c3c(ccc2c(=O)c1-c1ccc(Cl)cc1)OCN(CCO)C3 94993452 ICGRBIGPQHCUKR-UHFFFAOYSA-N 371.820 3.566 0 40 FHAB COc1ccc(CN2CCC3(CC2)CCN(c2ccc(C)nn2)CC3)cc1 96047352 IGARLWCNZATSDL-UHFFFAOYSA-N 366.509 3.676 0 40 FHAB O=C(CC1=CCCCC1)N1CC2(C[C@@H](OCc3ccccn3)CS2)C1 247855177 KGNSPCJRTDGTBV-GOSISDBHSA-N 358.507 3.575 0 40 FHAB COc1ccccc1[C@]1(O)CCC[C@@H]2CN(Cc3cccc(O)c3)C[C@H]21 248245922 LZHQUJSFDRRAFA-NQSCKRDGSA-N 353.462 3.521 0 40 FHAB COc1ncccc1C(=O)N1CCC[C@@H](Cc2cnc3ccccc3c2)C1 257320844 VYVFGXZEBXFSKD-INIZCTEOSA-N 361.445 3.733 0 40 FHAB Clc1ccc2c(c1)[C@H]1OCCC[C@@H]1C1(CCN(Cc3ncc[nH]3)CC1)O2 257280698 OLZDQTZBNUIPLW-QFBILLFUSA-N 373.884 3.958 0 40 FHAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)c12 606204283 QVXABVKVNRFHBN-KCQAQPDRSA-N 366.490 3.924 0 40 FHAB Cc1cc(C)cc(N2CC[C@@H](C(=O)N3CCC=C(c4ccco4)C3)C2=O)c1 672067011 HTKWMMBLAOYFFF-IBGZPJMESA-N 364.445 3.565 0 40 FHAB COc1ccc(CCC(=O)N2CCC(Cn3ccnc3C(C)C)CC2)cc1 62130040 WUSLGHDTLMFMLZ-UHFFFAOYSA-N 369.509 3.887 0 40 FHAB COc1ccccc1C1(O)CCN(Cc2ccc3c(c2)C[C@H](C)O3)CC1 12293065 ZDSJXVXGWLUCJT-INIZCTEOSA-N 353.462 3.502 0 40 FHAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccc(SC)cc2)C1=O 12575707 MMXKGDRTRVSMLF-IBGZPJMESA-N 358.438 3.905 0 40 FHAB Cc1ccsc1CN1CCc2nc3cc(C(C)(C)C)nn3c(O)c2C1 12666901 YKBCCJVZXFJLPD-UHFFFAOYSA-N 356.495 3.661 0 40 FHAB O=C(O)c1ccc(C(=O)O)c(NC(=O)c2ccc(Cl)cc2Cl)c1 13391940 YTSGKUFKDBGTRH-UHFFFAOYSA-N 354.145 3.642 0 40 FHAB Cc1cccc(C)c1Nc1noc2c1CN(C(=O)CC[C@@H]1CCCO1)CC2 19235764 OGKQNZQLKQEKOE-INIZCTEOSA-N 369.465 3.879 0 40 FHAB Cc1nc(C)n(C[C@H](C)C(=O)N[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)n1 19285933 UEKXWGMCTCTPBI-ZTIIYBLCSA-N 366.509 3.620 0 40 FHAB CCCC(=O)N1CCC[C@@](Cc2cccc(-c3cccs3)c2)(C(N)=O)C1 19501216 ZFMSIQJSTLQILT-NRFANRHFSA-N 370.518 3.852 0 40 FHAB CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@@H](OC(C)=O)[C@]3(C)C[C@H]3O[C@]231 575624714 RTQHUAHEQACVGY-OGDHSWOFSA-N 370.445 3.520 0 40 FHAB C[C@@H](Sc1ncnc2sccc12)C(=O)Nc1ccc2c(c1)OCCO2 6115434 RAZDRGADNVYASQ-SNVBAGLBSA-N 373.459 3.582 0 40 FHAB CC(=O)OC[C@@]1(O)C[C@@]23CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]2CC[C@@H]1C3 238734603 PTVDSZPMJVQUCE-IMILZGBUSA-N 362.510 3.892 0 40 FHAB biogenic,in-vitro O=C(CCc1ccccc1F)N1CCC[C@@](O)(COc2ccccc2)CC1 2037909228 FWGYNPGOFGXYCI-QFIPXVFZSA-N 371.452 3.581 0 40 FHAB CC(=O)N1CCCCN(Cc2ccccc2)CCOc2ccccc2C1 2037985359 HFSMIYJCZBMSHF-UHFFFAOYSA-N 352.478 3.710 0 40 FHAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCSc1c[nH]c2ccccc12 2721002 UPNFBHLIZCJVLR-SOFGYWHQSA-N 366.442 3.818 0 40 FHAB biogenic O=C(NCCc1csc2nc(-c3ccccc3F)nn12)c1ccccc1 4375614 ZIDQCMIBXBXTDB-UHFFFAOYSA-N 366.421 3.569 0 40 FHAB Cc1cccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)c1 5136408 YJNJHFFZWXWJMQ-UHFFFAOYSA-N 366.461 3.948 0 40 FHAB Cc1ccc(-n2ccnc(SCC(=O)c3ccc(F)cc3)c2=O)cc1F 9761434 NPSRDHGTJNWTGX-UHFFFAOYSA-N 372.396 3.794 0 40 FHAB Nc1nc2c(s1)[C@@H](c1cccc(OCc3ccccc3F)c1)CC(=O)N2 12375564 GDVAGPKCIZBNNC-CQSZACIVSA-N 369.421 3.918 0 40 FHAB Cc1cc(O)nc(-n2nc(C)cc2NC(=O)c2ccc(C(C)(C)C)cc2)n1 15881317 AYPFOWRJDALSDW-UHFFFAOYSA-N 365.437 3.535 0 40 FHAB Cc1cccc(Cn2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2=O)c1 15883084 DAYYXZGHWXUWKL-UHFFFAOYSA-N 354.356 3.736 0 40 FHAB O=c1[nH]nc(SCc2ccc(F)cc2)n2nc(-c3ccc(F)cc3)cc12 16843980 DLECUZAVFZUXDG-UHFFFAOYSA-N 370.384 3.655 0 40 FHAB COc1ccccc1-n1nnc(C(=O)OCc2ccccc2Cl)c1C 16846277 ZWLMLQMXZJUCCO-UHFFFAOYSA-N 357.797 3.595 0 40 FHAB O=C(NC[C@@H]1CCCN1c1nc2ccccc2o1)c1cccc(Cl)c1 206774771 KRQKRAKZIDSLPD-HNNXBMFYSA-N 355.825 3.880 0 40 FHAB C[C@@H](Cc1csc2ccccc12)NC(=O)Cn1c(=O)oc2ccccc21 575622480 ZCZSXBVLTGZQGZ-ZDUSSCGKSA-N 366.442 3.557 0 40 FHAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)CCNC(=O)OCC(F)(F)F 40158001 PYLCOVLDDRIALW-LLVKDONJSA-N 372.343 3.631 0 40 FHAB O=C(NCc1ccccc1COc1ccccc1)[C@H]1Cc2ccccc2O1 30511387 JFOLNKBUAHYTPR-JOCHJYFZSA-N 359.425 3.886 0 40 FHAB COc1c2c(cc3c1[C@H](CC(=O)c1ccc(C)cc1C)N(C)CC3)OCO2 20112439 NSRIASSFWODPJL-KRWDZBQOSA-N 367.445 3.843 0 40 FHAB biogenic CN(CC(=O)Nc1ccc(Br)cn1)Cc1ccc(Cl)cc1 31006039 TUOYDIMDGWDEJH-UHFFFAOYSA-N 368.662 3.568 0 40 FHAB Cc1ccccc1NC(=S)C1=C(O)c2sccc2N(C)S1(=O)=O 100911021 NGVXGDBREUOUDB-UHFFFAOYSA-N 366.489 3.502 0 40 FHAB C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1cccc(N2CCCCC2=O)c1 46008392 VXJYOTIVCYYXMS-QFBILLFUSA-N 373.497 3.920 0 40 FHAB CCOC(=O)c1cc2occc2n1CC(=O)Nc1ccc(F)c(Cl)c1 1337853 CZIJOXFELHDUHV-UHFFFAOYSA-N 364.760 3.842 0 40 FHAB CCCCc1ccc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 6652988 RVKNYLVVOANVBX-UHFFFAOYSA-N 374.506 3.742 0 40 FHAB CN(C)c1ccc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 6948574 HJTQLACPOTYKIG-LDADJPATSA-N 366.442 3.672 0 40 FHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc2ccccc2c1 6954700 VBKDITBBWMHUTF-UHFFFAOYSA-N 366.442 3.984 0 40 FHAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1OC 7645584 JRZKMNAREGMXGV-NSHDSACASA-N 364.239 3.957 0 40 FHAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1ccc(F)cc1Cl 2619592 ZHDYSBKCLBYOLZ-LJQANCHMSA-N 358.800 3.763 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1cccc(Cl)c1 7952445 PQLSHJLXTNMGQK-LJQANCHMSA-N 354.837 3.920 0 40 FHAB CCCn1c(NC(=O)c2cccc(C[S@@](C)=O)c2)nc2ccccc21 21597930 APOUEHVAJDLTFT-VWLOTQADSA-N 355.463 3.577 0 40 FHAB CC(C)(CC(=O)O)CC(=O)Nc1c(-c2ccccc2)nc2sccn12 32873870 DCBGGQMJHTVBEJ-UHFFFAOYSA-N 357.435 3.892 0 40 FHAB COc1cc(CCNC(=O)c2cn(C)c3ccccc23)ccc1OC(F)F 8172552 QXDVDAUCVLYAEL-UHFFFAOYSA-N 374.387 3.761 0 40 FHAB CCn1nnnc1NCc1ccc(OCc2ccccc2Cl)c(OC)c1 8340019 IEISXOKGUXYTJM-UHFFFAOYSA-N 373.844 3.546 0 40 FHAB O=C(Nc1cccc2cccnc12)[C@H]1CCCCN1C(=O)c1cccs1 32905856 WOESTQRBFPEEMO-MRXNPFEDSA-N 365.458 3.930 0 40 FHAB COC(=O)c1ccc([C@@H]2Nc3nonc3N=C3CC(C)(C)CC(O)=C32)cc1 102747411 COYDDTYGZGPYJR-HNNXBMFYSA-N 368.393 3.728 0 40 FHAB CCCc1cc(NC(=O)N2Cc3ccccc3N(C)C[C@@H]2CC)n(C)n1 91035758 FFFZMKKRWIVOKU-KRWDZBQOSA-N 355.486 3.635 0 40 FHAB CC(C)C(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1 16574963 PNRZDHZLINCVBL-UHFFFAOYSA-N 355.457 3.742 0 40 FHAB Cc1c(C(=O)N(C)Cc2ccc(Br)o2)oc2c1C(=O)CCC2 52819953 ZADGVWWRCGCZNQ-UHFFFAOYSA-N 366.211 3.735 0 40 FHAB COc1cccc(-c2nc(CC(=O)N3CCc4ccccc4C3)cs2)c1 20426238 DABZVTUXPBYSQJ-UHFFFAOYSA-N 364.470 3.946 0 40 FHAB COc1cccc([C@H]2CC(=O)Nc3nc(N)sc32)c1OC1CCCC1 12371656 RXGDDEKAYHPZHI-GFCCVEGCSA-N 359.451 3.529 0 40 FHAB COc1ccccc1[C@@H](CNC(=O)c1ccc(Cl)s1)N1CCCC1 22679775 VSDTYHGJHJKXKX-CQSZACIVSA-N 364.898 3.977 0 40 FHAB CN(CCCc1ccccc1)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 47163912 UGPKGYMUTWRKCZ-UHFFFAOYSA-N 353.447 3.703 0 40 FHAB COc1ccc([C@H](CNC(=O)c2cc(C)c(C)s2)N2CCCC2)cc1 23486426 WIENXRSJEBGZPV-SFHVURJKSA-N 358.507 3.940 0 40 FHAB Cc1nn(C)c2ncc(NC(=O)/C=C/c3ccccc3OC(F)F)cc12 22473146 VJLFHMCGLVPDKO-BQYQJAHWSA-N 358.348 3.530 0 40 FHAB CNC(=O)c1ccc(NC(=O)N(Cc2ccccc2OC)C2CC2)c(C)c1 47541728 SHUAFXJCGJXYOK-UHFFFAOYSA-N 367.449 3.560 0 40 FHAB C[C@@H](NC(=O)c1ccc(OCc2nccn2C)cc1)c1ccc(F)cc1F 47518911 IYXWLCCXQXKUSQ-CYBMUJFWSA-N 371.387 3.768 0 40 FHAB Cc1nn(C)cc1[C@@H]1CC(=O)Nc2c1sc(C(=O)O)c2-c1ccccc1 61719022 OABDPKPOWWSUQV-LBPRGKRZSA-N 367.430 3.629 0 40 FHAB CC(C)(C)c1nc(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)no1 47797010 RKDWYTJDCFWHAW-UHFFFAOYSA-N 363.408 3.740 0 40 FHAB Cc1c(Cl)cccc1NC(=S)NC(=O)c1ccc2nsnc2c1 59294628 FJYWUUSICUBDAK-UHFFFAOYSA-N 362.867 3.780 0 40 FHAB CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCc3ccccc32)nc1 12517323 RHDNZIFVMUEWQP-UHFFFAOYSA-N 359.495 3.583 0 40 FHAB Cc1cc(C)cc(-n2cc(C(=O)NCc3ccc(OC(C)C)cc3)nn2)c1 71326419 KRXIQDUUHSVWQH-UHFFFAOYSA-N 364.449 3.601 0 40 FHAB C[C@@H](OC(=O)[C@H]1Cc2cc(Cl)ccc2O1)C(=O)c1c[nH]c2ccccc12 25107642 WIMYRCCAQOKXBX-ADLMAVQZSA-N 369.804 3.939 0 40 FHAB O=C(CSc1nnc(SCC(=O)c2ccco2)s1)c1ccco1 3258821 CRLJESMQYIUYIE-UHFFFAOYSA-N 366.445 3.674 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)CN(C)CCOc2ccc(Cl)cc2)c1C 57460513 PIHPUNKYFIBKLU-UHFFFAOYSA-N 362.857 3.681 0 40 FHAB CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccccc2C(F)(F)F)CC1 108703579 QJQVSBFXXOSGSP-UHFFFAOYSA-N 372.387 3.835 0 40 FHAB CCOc1ccc(C2(CNC(=O)c3cc(C)oc3C)CCOCC2)cc1 58171222 DDGDIBGTQZHPOV-UHFFFAOYSA-N 357.450 3.773 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)c2cc(C)nc3[nH]nc(C)c23)cc1 58165941 NALMVLOOZDSMCO-QGZVFWFLSA-N 350.422 3.561 0 40 FHAB CC[C@H](C)NC(=O)N1CCC[C@@H](CN(C(=O)OC(C)(C)C)C(C)C)C1 58291559 JIGZEZPIGNIREQ-JKSUJKDBSA-N 355.523 3.852 0 40 FHAB O=C(Nc1ccn(Cc2ccccn2)n1)c1cc(Cl)cc2cccnc12 58201204 YXDNWOIWEXEDJL-UHFFFAOYSA-N 363.808 3.780 0 40 FHAB O=C(C1CC1)N1CCC[C@@H](c2nc3ccc(-c4cccc(F)c4)cn3n2)C1 306124863 CBADHOMECMTYQG-QGZVFWFLSA-N 364.424 3.651 0 40 FHAB COc1ccc(OC)c(S(=O)(=O)Oc2cccc(Cl)c2Cl)c1 2182623 MROXRNXOBDHQMY-UHFFFAOYSA-N 363.218 3.778 0 40 FHAB CCOC(=O)c1[nH]c(C)c(C(=O)N(C)Cc2c(F)cccc2Cl)c1C 22441229 TUJSFPYHAHTLTI-UHFFFAOYSA-N 366.820 3.873 0 40 FHAB CC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)Nc2ccccn2)s1 44901878 SBFQKDOIPVUJAX-UHFFFAOYSA-N 366.446 3.652 0 40 FHAB Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)Cc3cccs3)C2)cc1 58309068 KUFZRRYUKNCTJB-MRXNPFEDSA-N 371.506 3.659 0 40 FHAB Cc1ccc(OCC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)cc1 27990300 XRZBOFSKNLJGKA-NRFANRHFSA-N 352.478 3.636 0 40 FHAB COc1ccc(CN[C@H](C)C(=O)Nc2ccc3ccccc3c2)cc1OC 3386336 NOZVUHHWECEONC-OAHLLOKOSA-N 364.445 3.974 0 40 FHAB CC(=O)Nc1ccccc1OCC(=O)c1cc(C)n(C[C@H]2CCCO2)c1C 3355065 ZPBCOFFITUNDSW-QGZVFWFLSA-N 370.449 3.504 0 40 FHAB CCCCOc1cccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 28289879 DQWIMJOPIQUNQL-CYBMUJFWSA-N 354.406 3.837 0 40 FHAB CC(C)[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccccc1 12769327 JMPQJVCAKHMYAJ-JOCHJYFZSA-N 350.462 3.869 0 40 FHAB O=C(c1ccccc1)N1CCN(Cc2csc(-c3cccs3)n2)CC1 12745296 ASODEDXJSYILOI-UHFFFAOYSA-N 369.515 3.830 0 40 FHAB O=C(COc1cccc(N2CCCC2=O)c1)Nc1ccc(F)cc1Cl 12793745 PYQWKNQNWDQWLI-UHFFFAOYSA-N 362.788 3.623 0 40 FHAB O=C(CSc1nc(-c2ccccc2)c[nH]1)NCCc1ccc(F)cc1 12792592 AMVKWDRVANBDNT-UHFFFAOYSA-N 355.438 3.667 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Nc1ccc2c(c1)OCCCO2 48362458 UIUFTDUBVZZFJY-IAGOWNOFSA-N 368.477 3.786 0 40 FHAB CSc1ccc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1 12872382 IWENHMOWKVEAHW-UHFFFAOYSA-N 367.474 3.764 0 40 FHAB O=C(NC[C@@H]1CCCO1)c1sc(-c2ccco2)nc1-c1ccccc1 12848592 HQPVKVIRHTYGFF-AWEZNQCLSA-N 354.431 3.979 0 40 FHAB CCOc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)cc1OC 8265200 VFYCMDZGYDULNK-UHFFFAOYSA-N 356.447 3.976 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1nc(-c2cccs2)no1 65778682 QMNWDIKAZPHTQX-JTQLQIEISA-N 363.826 3.535 0 40 FHAB C[C@H](Sc1nnnn1Cc1cccs1)C(=O)c1ccc2c(c1)CCC2 8391657 KHUXWRBMYQUNNK-LBPRGKRZSA-N 370.503 3.635 0 40 FHAB COc1cccc(-c2nc(N3C[C@H](C)O[C@H](C)C3)c3ccccc3n2)c1O 13689173 QIRDYARJEYCALQ-OKILXGFUSA-N 365.433 3.625 0 40 FHAB CCOC(=O)c1cnc2c(-c3ccccc3)c(CC)nn2c1/C=C/N(C)C 49769480 XMJMKYMRKLISTL-OUKQBFOZSA-N 364.449 3.668 0 40 FHAB Cc1cc(OCC(=O)Nc2ccc(C)c(Cl)c2)nc(N2CCCCC2)n1 65101713 XPBLVAPMBBHYKP-UHFFFAOYSA-N 374.872 3.755 0 40 FHAB CC1CCN([C@@H](C)CNC(=O)Nc2ccc(NC(=O)C(C)C)cc2)CC1 65359045 YMZYVMLDJWJSIH-INIZCTEOSA-N 360.502 3.523 0 40 FHAB O=C(N=c1[nH]c2ccccc2[nH]1)c1cc(-c2ccncc2)nc2ccccc12 5263006 RDPQJHQIVFOIHT-UHFFFAOYSA-N 365.396 3.847 0 40 FHAB CC[C@H](C)c1ccc(-c2csc(NC(=O)c3ccc(=O)n(C)n3)n2)cc1 14085429 QEIXYDNKTQMXMV-LBPRGKRZSA-N 368.462 3.670 0 40 FHAB CC(=O)Nc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1 14167057 AKBXAXLHDIZETR-UHFFFAOYSA-N 351.431 3.945 0 40 FHAB CCOc1cc(CNc2ccccc2)ccc1OCC(=O)NC(C)(C)C 4675894 AMCVIPZJRJYHFE-UHFFFAOYSA-N 356.466 3.991 0 40 FHAB Cc1ccc(S(=O)(=O)Oc2cc(C)c3cnn([C@@H](C)C4CC4)c3n2)cc1 8754316 SAJHJTIVNJWMTM-AWEZNQCLSA-N 371.462 3.787 0 40 FHAB CCC(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1c1ccc(OC)cc1 4815108 DFWOHHFCNGPSGZ-RBUKOAKNSA-N 362.433 3.764 0 40 FHAB CCCn1c(SCC(=O)Nc2ncc(C)s2)nnc1-c1ccccc1 15019397 ZPNBZUBUMYQFAI-UHFFFAOYSA-N 373.507 3.851 0 40 FHAB CC(C)CCNc1nc(C(=O)Nc2nnc(C3CCC3)s2)cs1 61718458 DOQDZNJTWZHRKV-UHFFFAOYSA-N 351.501 3.972 0 40 FHAB O=C(COc1ccc(F)c(Cl)c1)Nc1ccc(N2CCCC2=O)cc1 6987757 DIWOVBUQXGCRFK-UHFFFAOYSA-N 362.788 3.623 0 40 FHAB CCN(Cc1cccc(F)c1)Cc1nc(-c2ccc(OC)c(OC)c2)no1 15368398 NUAYXGCAIROTQQ-UHFFFAOYSA-N 371.412 3.915 0 40 FHAB O=C(CCNC(=O)c1ccco1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 7735818 FUSPZQNTEHMYEB-UHFFFAOYSA-N 374.400 3.582 0 40 FHAB CCCOc1c(Cl)cc(C(=O)N2CC[C@H](N(CC)CC)C2)cc1OC 72303396 HKHTWQAIOVUTNN-HNNXBMFYSA-N 368.905 3.694 0 40 FHAB CC(=O)c1ccc(NC(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)cc1 95443103 OELLBYSNJBJXHL-FQEVSTJZSA-N 352.434 3.694 0 40 FHAB COC(=O)c1cccc(C(=O)N2CC[C@@](C)(CCc3ccccc3)C2)c1 79050122 NELYBEFSRBMGAM-JOCHJYFZSA-N 351.446 3.958 0 40 FHAB CC(C)n1ncc2cc(S(=O)(=O)Oc3ccc(F)c(F)c3)ccc21 79111033 FUXFMUZFSBTXMI-UHFFFAOYSA-N 352.362 3.663 0 40 FHAB Cc1ccc(NC(=O)CSc2nc3ccccc3c3nc(C)nn23)cc1 9939978 BWWHOVUOJSXWIZ-UHFFFAOYSA-N 363.446 3.625 0 40 FHAB C[S@@](=O)c1ccccc1NC(=O)N1CCC(C(=O)c2ccccc2)CC1 75092069 GWTBLONGISDBHS-SANMLTNESA-N 370.474 3.551 0 40 FHAB Cc1ccc2nc(CSCC(=O)N3CCCOc4ccccc43)cn2c1 89668956 GTZZEQDYXNSTAV-UHFFFAOYSA-N 367.474 3.692 0 40 FHAB C[C@H]1CC[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 306504833 RQLDNXLQBRULFT-DJJJIMSYSA-N 351.402 3.873 0 40 FHAB Cc1ncsc1CN1Cc2c(nc(C)n2C(C)C)C2(CCN(C)CC2)C1 306123897 AZYHUCFAOAEZNG-UHFFFAOYSA-N 373.570 3.517 0 40 FHAB CCOc1ccccc1NC(=O)[C@H](C)Nc1ccc2c(c1)OC(F)(F)O2 30005924 UACLCNNSQNPIIT-NSHDSACASA-N 364.348 3.846 0 40 FHAB Cc1[nH][nH]c(=NC(=O)[C@H](C)[C@H]2OCCc3sccc32)c1-c1ccccc1 517679954 FHQCUQQVXCAASF-KZULUSFZSA-N 367.474 3.757 0 40 FHAB CCOC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1Cc1ccc(O)cc1 3847362 DTULPJDTVILWMN-GOSISDBHSA-N 371.433 3.708 0 40 FHAB biogenic COc1ccc(Cl)cc1NC(=O)NC[C@@H](c1cccs1)N(C)C 38629325 AXHYHAIDXRDCOY-ZDUSSCGKSA-N 353.875 3.835 0 40 FHAB C[C@H](NC(=O)CCc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 31497550 QYLHIGAEAJGWRL-ZDUSSCGKSA-N 365.882 3.554 0 40 FHAB O=C(NCc1ccccc1)[C@H]1CCCN(c2nc3ccccc3s2)C1 35291223 VQAYOPRGXAVALY-INIZCTEOSA-N 351.475 3.829 0 40 FHAB CCn1nc(-c2nn3c(-c4ccc(Cl)cc4F)nnc3s2)cc1C 66087729 GNFHDGQRICFRHZ-UHFFFAOYSA-N 362.821 3.837 0 40 FHAB O=C(/C=C/c1ccccc1)NCC1CCN(c2nc3ccccc3o2)CC1 70932049 MVLOOGWTZXKKSP-ZHACJKMWSA-N 361.445 3.874 0 40 FHAB O=C(NCCSCc1ccccc1F)c1ccc(Cn2ccnc2)cc1 44909140 GIEOWWFYSUOUMK-UHFFFAOYSA-N 369.465 3.734 0 40 FHAB CC[C@@H](C(=O)Nc1ccc(C)c(C)c1)N(c1cccc(C)c1)S(C)(=O)=O 220494173 GXTZDLWPDYJFDP-IBGZPJMESA-N 374.506 3.795 0 40 FHAB CCOCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cn1 225859283 SVNHFLXJFFLRSS-UHFFFAOYSA-N 354.450 3.947 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1[C@H]2CC[C@H]1c1cncnc1C2 225671150 IKONYFZJCTUCRK-GUYCJALGSA-N 357.841 3.576 0 40 FHAB COC(=O)[C@@H]1CC(=O)N(c2cc(-c3nc4ccccc4s3)ccc2C)C1 45886768 UMUOEYSGJRKJIY-CQSZACIVSA-N 366.442 3.798 0 40 FHAB Cc1ccc(CC(=O)NCCCNc2ccc(C(F)(F)F)cn2)cc1 40108768 PTXYVTPCYWTVIR-UHFFFAOYSA-N 351.372 3.570 0 40 FHAB CCOC(=O)c1cc(NC(=O)C2(OC)CCCC2)ccc1OCC(C)C 225804095 BALKYGVHUZXRMI-UHFFFAOYSA-N 363.454 3.796 0 40 FHAB Cc1ccccc1CS(=O)(=O)NCc1cccc(CN2CCCCC2)c1 224672040 VNYLOZKPEGXIAU-UHFFFAOYSA-N 372.534 3.601 0 40 FHAB Cc1cccc(OCC(=O)Nc2nn3c(C4CCCCC4)nnc3s2)c1 41108810 WQBVADONAHZGQC-UHFFFAOYSA-N 371.466 3.559 0 40 FHAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 42645606 MHLOUKPZLVZRLP-CYBMUJFWSA-N 358.413 3.760 0 40 FHAB CCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 225796129 AIFKUULCAGBSEC-ORAYPTAESA-N 351.443 3.794 0 40 FHAB CCOC(=O)c1c(NCc2cccc(OC)c2)c2cccc(C)c2[nH]c1=O 49001461 DTVAEGABVKICIJ-UHFFFAOYSA-N 366.417 3.634 0 40 FHAB COCc1cc(=O)[nH]c2cc(NC(=O)CSCc3ccccc3)ccc12 49031143 HZFKPHQEOQRGAM-UHFFFAOYSA-N 368.458 3.546 0 40 FHAB CCN(c1ccccc1Br)S(=O)(=O)c1ccc(F)cc1 224910519 ATKYORYZPRYART-UHFFFAOYSA-N 358.232 3.803 0 40 FHAB COc1cc2c(cc1OC)[C@H](NC(=O)[C@H](CC(C)C)n1cccc1)CC2 575443284 ITBFKUXVSOKSCH-MSOLQXFVSA-N 356.466 3.896 0 40 FHAB Cc1cncc(C(=O)N2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)c1 96261329 MFPFRLVROXGRGY-LEWJYISDSA-N 350.462 3.642 0 40 FHAB c1cnc(N2CCC3(CC2)C[C@@H](Nc2cccnc2)c2ccccc2O3)nc1 96079824 VWVRKAYSDCGRCA-LJQANCHMSA-N 373.460 3.847 0 40 FHAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 96344946 PGTYAWCINQFYQN-GFCCVEGCSA-N 368.824 3.516 0 40 FHAB O=C(NCc1cccs1)c1cc2c(s1)CCN2C(=O)c1ccccc1 96146791 MOZAFIAQMLUHOR-UHFFFAOYSA-N 368.483 3.943 0 40 FHAB Cc1ncc(-c2cccc([C@H]3CCCN(Cc4cscn4)C3)n2)n1C 257267799 MITXRMNTFXRXJE-HNNXBMFYSA-N 353.495 3.627 0 40 FHAB Cc1nn(C)c(C)c1CN1CCC[C@@H]1c1ccnc(Nc2ccccn2)c1 257343753 ZUGRSVJKTVIBIP-LJQANCHMSA-N 362.481 3.908 0 40 FHAB Cc1ncoc1C(=O)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257277620 NYTDOPTZXOKBIN-INIZCTEOSA-N 355.369 3.678 0 40 FHAB Cc1cc(CNC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)nc(C)n1 585081150 ATEURVNVVDLQTB-QFIPXVFZSA-N 372.472 3.951 0 40 FHAB Cc1ccc(F)cc1NC(=O)CCCn1cc(COc2ccccc2)nn1 252489779 KAELARQKXDSKRW-UHFFFAOYSA-N 368.412 3.724 0 40 FHAB C[C@]12C[C@@H](Cc3ccccc3)N(C(=O)C3CCOCC3)[C@H]1CCCCCN2 257282325 OTHOQSZKTOVBFF-GIWBLDEGSA-N 370.537 3.548 0 40 FHAB C[C@H](CC(=O)O)CC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 630298281 DEQSRXUVRVQKBW-IINYFYTJSA-N 372.234 3.753 0 40 FHAB CCc1cc(C)nc(N2CCC(C3(NC(=O)C(CC)CC)CC3)CC2)n1 1775989951 AUHLKFCWILIZRZ-UHFFFAOYSA-N 358.530 3.649 0 40 FHAB C[C@@H](NC(=O)CCn1ncc(=O)c2ccccc21)c1cccc2ccccc12 52937744 OIZHQZQDOFQESF-MRXNPFEDSA-N 371.440 3.817 0 40 FHAB Cc1ccc([C@H]2CCCN2C(=O)[C@H]2CCCN(c3ncccn3)C2)cc1C 68123991 DQNBYFQZKMRKIG-VQTJNVASSA-N 364.493 3.674 0 40 FHAB CC1(C)[C@@H]2C[C@@H]1C[C@H]1OB(B3O[C@H]4C[C@H]5C[C@@H](C5(C)C)[C@@]4(C)O3)O[C@@]21C 197958380 VNEZFUGEQURPEN-BQXFTYNCSA-N 358.096 3.521 0 40 FHAB COC(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2)cc(C(=O)OC)c1 5526412 XYPCYZQPJCCSJO-UHFFFAOYSA-N 362.769 3.557 0 40 FHAB Cc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3nccs3)c2C)c(O)c1 5226917 ORGIBBDHORKBDJ-UHFFFAOYSA-N 370.430 3.604 0 40 FHAB COc1ccc2cnc([C@H]3CCCN(C(=O)c4ccncc4)C3)cc2c1C 12187863 YIVOZNJUNKUFOV-SFHVURJKSA-N 361.445 3.967 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc2c(c1)C[C@@H](C)N2C(C)=O 12204448 SBZQTVQGEUVIPN-YJYMSZOUSA-N 370.424 3.919 0 40 FHAB Cc1cc(=O)n2c3ccccc3nc2n1CC(=O)c1cccc2ccccc12 13637001 AYNZGJJEBIAQNK-UHFFFAOYSA-N 367.408 3.994 0 40 FHAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccccc3OC(F)F)CC2=O)c1C 15993545 NEDLWBKFRWRWSI-AWEZNQCLSA-N 374.387 3.896 0 40 FHAB COc1ccc(OC[C@H]2[C@@H]3CC[C@@H](C3)N2C(=O)c2sc(C)nc2C)cc1 19559963 GLSHSTPPYBNSSP-VKJFTORMSA-N 372.490 3.841 0 40 FHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3)C2=O)c(C)c1 4464144 NSBLEINIHMMOGA-GZTJUZNOSA-N 366.442 3.978 0 40 FHAB CCN1CCN(c2cc(NC(=O)c3cccc(Cl)c3)c(N)cc2C)CC1 226331057 HTTRYZSCCNHRHR-UHFFFAOYSA-N 372.900 3.625 0 40 FHAB Cc1cnc(C(=O)N[C@H](CC(C)C)c2nc3cccnc3n2C(C)C)cn1 12221601 MJQBSRFHXFWJJP-MRXNPFEDSA-N 366.469 3.628 0 40 FHAB COc1ccc(C(=O)COc2ccc(Br)cc2)c(OC)c1 2623389 FYOCVFXZMFTBPL-UHFFFAOYSA-N 351.196 3.728 0 40 FHAB Cn1cc(-c2ccc(CCNC(=O)CSCc3ccccc3)cc2)cn1 1889269635 PZVDCIDRJUUOBK-UHFFFAOYSA-N 365.502 3.679 0 40 FHAB Cc1cccc(OC[C@H]2CCCN(C(=O)CCc3ccccc3F)C2)n1 1775996206 ANRMGVLVPKWKBW-KRWDZBQOSA-N 356.441 3.779 0 40 FHAB O=C(COc1ccc(Cl)cc1)N1CCN=C1SCc1ccccc1 4119827 YTMUIVQJVAYQNB-UHFFFAOYSA-N 360.866 3.850 0 40 FHAB COc1ccccc1-c1ccc(SCC(=O)Nc2nc(C)cs2)nn1 5107975 WEZBQMXLIQFUMD-UHFFFAOYSA-N 372.475 3.648 0 40 FHAB CCOC(=O)[C@](NC(=O)CC(C)C)(Nc1ccc(C)c(C)c1)C(F)(F)F 5585716 SGMPBCFQPFNLES-QGZVFWFLSA-N 374.403 3.699 0 40 FHAB CC(C)NC(=O)C1(Nc2ccccc2)CCN(CCc2ccccc2)CC1 2055756548 VSEIFJWWKJLOJY-UHFFFAOYSA-N 365.521 3.700 0 40 FHAB O=C([C@@H]1CCCN(CCCc2ccccc2)C1)N1CCC(F)(F)CC1 2298213799 HXPYPBUYBFZEON-GOSISDBHSA-N 350.453 3.589 0 40 FHAB O=c1/c(=C/c2cccc3ccccc23)sc2nc(-c3ccc(F)cc3)nn12 2382027 INUCUMARONRQKM-PDGQHHTCSA-N 373.412 3.658 0 40 FHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)C1C2CC3CC(C2)CC1C3 40005376 IFPXYQXFODSDDE-UHFFFAOYSA-N 363.505 3.962 0 40 FHAB CCOc1c(Br)cc(C(=O)N2CCCC[C@H]2C)cc1OC 40159698 BQIDUBSVSWWPMP-LLVKDONJSA-N 356.260 3.871 0 40 FHAB O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)c1ccccc1O 31896250 MRFINVIIZNDFRB-MRXNPFEDSA-N 362.832 3.752 0 40 FHAB CCOC(=O)CCCCC(=O)c1cccc(I)c1 2580296 QHWWEOONMAFMMC-UHFFFAOYSA-N 360.191 3.597 0 40 FHAB O=C(O)CCCn1c(/C=C/c2cccc(F)c2)nc2ccccc2c1=O 46102288 DLDLKUMGSKEREP-ZHACJKMWSA-N 352.365 3.571 0 40 FHAB O=C1[C@@H]2[C@H](c3ccccc3)[C@]2(Cl)C(=O)[C@H]2[C@H](c3ccccc3)[C@@]12Cl 3957362 UNEGTQFQRVOMCV-HWZOLEMKSA-N 357.236 3.921 0 40 FHAB Cc1ccc(C(=O)N2N=C3CCCC[C@H]3[C@]2(O)C(F)(F)F)cc1Cl 4199266 UDAUADKJEUEBMD-ABAIWWIYSA-N 360.763 3.901 0 40 FHAB Cc1cc(OCC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)ccc1Cl 32593759 APQVZVJJSMAQDC-GOSISDBHSA-N 364.848 3.585 0 40 FHAB Cc1ccc(C)c(C(=O)CSc2nnc(-c3ccccc3N)n2C)c1 4856632 BXDRLMVVGNBCGC-UHFFFAOYSA-N 352.463 3.656 0 40 FHAB O=C(O)Cc1sc(Nc2ccc(C(=O)O)cc2)nc1-c1ccccc1 6721531 MROJKWZHTDAGOI-UHFFFAOYSA-N 354.387 3.879 0 40 FHAB CC1(C)CC(=O)c2cc3c(N)c(C(=O)N4CCCCC4)sc3nc2C1 7010156 AXNDXITZARWPRV-UHFFFAOYSA-N 357.479 3.660 0 40 FHAB C[C@@H](OC[C@@H](O)CNC1CC(C)(C)NC(C)(C)C1)c1ccc(Cl)cc1 2652689 QEILUEXGBCCJPY-KDOFPFPSSA-N 368.949 3.677 0 40 FHAB CC(C)c1ccccc1OCC(=O)Nc1ccc(N2CCCC2=O)cc1 7640940 OWYYVNDOISWDGC-UHFFFAOYSA-N 352.434 3.954 0 40 FHAB CCCSc1nnc(NC(=O)c2cc(=O)c3cccc(C)c3o2)s1 21351841 RNGYTZMROGJSKY-UHFFFAOYSA-N 361.448 3.707 0 40 FHAB COc1ccc(CCC(=O)N[C@H](C)COc2ccccc2C)cc1OC 55693499 GTZZLEAXYBEFRR-MRXNPFEDSA-N 357.450 3.529 0 40 FHAB O=C(NCCOc1ccccc1)c1ccc(OCc2cscn2)cc1 17850288 RIQXDSPSYXSBLT-UHFFFAOYSA-N 354.431 3.531 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCc2ccc(C)cc2)cc1 10370604 KIVWXZDAGKJZQV-UHFFFAOYSA-N 374.506 3.597 0 40 FHAB COc1ccc(/C=C2\N=C3SCN(c4ccc(F)cc4)CN3C2=O)cc1 12324891 YHMBVDMWPRQIKZ-YVLHZVERSA-N 369.421 3.542 0 40 FHAB COc1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)c(OC)c1 888447 WPGSYUVWLJHLNU-UHFFFAOYSA-N 357.435 3.765 0 40 FHAB Cc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1NC(=O)c1ccco1 809577 OJBADCZAALMEEN-UHFFFAOYSA-N 364.357 3.821 0 40 FHAB O=C(Nc1cccnc1-n1cccn1)c1ccc(C2SCCS2)cc1 23171367 JLEBNLHVGXZCGM-UHFFFAOYSA-N 368.487 3.998 0 40 FHAB O=C(CNc1ccccc1-n1cccn1)Nc1ccccc1Br 47272822 FYZIWTFNQGKTBB-UHFFFAOYSA-N 371.238 3.685 0 40 FHAB O=C(NCc1ccoc1)Nc1cc(C(F)(F)F)ccc1-n1cccn1 47799100 VKKGWWZXIZDGSY-UHFFFAOYSA-N 350.300 3.806 0 40 FHAB CSc1nc(Cl)cc(N2CCN(c3ccccc3Cl)CC2)n1 1398313 IOBAHESKXBWMQK-UHFFFAOYSA-N 355.294 3.832 0 40 FHAB CCCN(C[C@@H]1CCCCO1)C(=O)c1cc(C)nc2c1cnn2C(C)C 106695145 JYUDAOCUOWLRPK-INIZCTEOSA-N 358.486 3.742 0 40 FHAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=S)N1 1467669 OPBQVEUSCZTVHN-CYBMUJFWSA-N 359.278 3.738 0 40 FHAB CC(=O)Nc1cccc2c1CCN(C(=O)N[C@H](C)c1sc(C)nc1C)C2 56486158 DUDRVYYJGVLVLD-GFCCVEGCSA-N 372.494 3.547 0 40 FHAB CCN1C[C@@H](CN(C)C(=O)c2cc3cc(F)ccc3[nH]2)Oc2ccccc21 12540895 UGDDERJEPTVNCU-MRXNPFEDSA-N 367.424 3.667 0 40 FHAB O=C(Cn1c(-c2ccc(Cl)cc2)n[nH]c1=S)NCc1ccccc1 12569265 SQWLHLUIKCSZQK-UHFFFAOYSA-N 358.854 3.577 0 40 FHAB CCn1c(SCC(=O)Nc2ccc(F)cc2C)nnc1-c1cccnc1 35655261 AYESEYGDKRJKSP-UHFFFAOYSA-N 371.441 3.538 0 40 FHAB C[C@@H](NCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1 57873082 BXAQIBVFSCYUFF-CQSZACIVSA-N 371.868 3.756 0 40 FHAB O=C(COC(=O)c1cc2ccccc2oc1=O)Nc1ccc2ccccc2c1 3244921 UUFBJGHVNRGPRN-UHFFFAOYSA-N 373.364 3.742 0 40 FHAB Cc1cc(=O)oc(C)c1C(=O)OCc1ccc(Br)cc1F 58451074 JZJMKUVDTGXYIG-UHFFFAOYSA-N 355.159 3.515 0 40 FHAB CN(C)[C@H](CNC(=O)COc1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 28289286 WCYZSIQIILXVGS-HXUWFJFHSA-N 372.484 3.921 0 40 FHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N(C)CCOc1ccc(F)cc1 12754491 BWBNBQWSADFJPH-UHFFFAOYSA-N 370.428 3.611 0 40 FHAB CCc1nnsc1C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 12790804 YTVWQQVBYDDSLB-UHFFFAOYSA-N 370.459 3.900 0 40 FHAB CC(C)n1ncc2cc(NC(=O)N(Cc3ccccn3)C3CC3)cnc21 48274002 HAPMUXRZHQHGHC-UHFFFAOYSA-N 350.426 3.604 0 40 FHAB CCc1nnsc1C(=O)NCc1ccc(CN2C[C@@H](C)C[C@H](C)C2)cc1 48310343 YVYHVDOXTORDBU-GJZGRUSLSA-N 372.538 3.508 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)c1sc(NC(=O)C2CC2)cc1C 12931592 DYYHWIVTDRYEJV-GFCCVEGCSA-N 358.463 3.905 0 40 FHAB COc1ccc([C@@H]2CCCN2CC(=O)N(C)Cc2ccsc2)c(OC)c1 12921914 JJSFRDMXQIUARZ-SFHVURJKSA-N 374.506 3.561 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)N[C@H]1CCSc2ccccc21 12926362 ZDLYEVLPOVTCSX-INIZCTEOSA-N 371.458 3.630 0 40 FHAB O=C(NCC(F)(F)F)c1csc(-c2cc(Br)cs2)n1 48733609 PLTSPJPZQVLCMZ-UHFFFAOYSA-N 371.203 3.926 0 40 FHAB O=C(NCc1ccccc1Cl)N1CCC([C@@H](O)c2ccccc2)CC1 13010743 AWZZVQYJLPEADP-IBGZPJMESA-N 358.869 3.995 0 40 FHAB COc1ccc([C@H](CC(=O)O)NC(=O)c2ccccc2C(F)(F)F)cc1 13187005 XSDUNGBHGPGCES-HNNXBMFYSA-N 367.323 3.660 0 40 FHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2ccc(C)cc2s1 5240891 KPAIZRCEBAZJOI-UHFFFAOYSA-N 360.460 3.651 0 40 FHAB CCn1c(SCc2ccc(C(N)=O)cc2)nnc1-c1ccccc1C 14137757 YCGRVIPKVPETBB-UHFFFAOYSA-N 352.463 3.665 0 40 FHAB CCSc1nnc(NC(=O)Cc2c(F)c(F)c(F)c(F)c2F)s1 8849731 YPQGJDVHYIGUSR-UHFFFAOYSA-N 369.340 3.527 0 40 FHAB Cc1ccc(CNC(=O)Cc2c(C)c3cc(Cl)c(O)cc3oc2=O)cc1 4742947 OHCURLRELCFPKX-UHFFFAOYSA-N 371.820 3.628 0 40 FHAB O=C(O)c1ccc2c(=O)n(-c3ccc(F)c(Cl)c3)c(=S)[nH]c2c1 5827446 ZFGUEYVCACVOCW-UHFFFAOYSA-N 350.758 3.539 0 40 FHAB CSc1nc2nc(C)c(CCC(=O)Nc3ccc(C)cc3C)c(C)n2n1 7666893 RTISIZBRTMYQBJ-UHFFFAOYSA-N 369.494 3.651 0 40 FHAB Cc1cccc(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)c1C 7927186 UKBJLQYWHRGPMF-QGZVFWFLSA-N 358.507 3.985 0 40 FHAB Cn1c(CNC(=O)CC2(n3cccc3)CCCCC2)nc2ccccc21 96230813 MOQZVMVXQGBEKQ-UHFFFAOYSA-N 350.466 3.741 0 40 FHAB CC(C)[C@H]1C[C@](CC(=O)NCCCN(C)C)(Cc2ccccc2)CCO1 9486017 KYHWDEMTSLKBIC-IFMALSPDSA-N 360.542 3.509 0 40 FHAB Cc1cc(NC(=O)[C@H](C)Oc2ccccc2C(=O)Nc2ccccc2)no1 9691562 BIFOYWZBHKDURY-AWEZNQCLSA-N 365.389 3.641 0 40 FHAB O=C(NCc1ccc(F)cc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 9679428 UMGCNPICEBUMAQ-OAHLLOKOSA-N 352.413 3.791 0 40 FHAB C[C@H](Nc1ccc(NC(=O)[C@@H]2COCCO2)cc1Cl)c1ccccc1 84660436 HUSXGZHMJLXAMS-UGSOOPFHSA-N 360.841 3.867 0 40 FHAB CC(=O)c1cccc(O[C@@H](C)C(=O)NCC(C)(C)c2ccccc2F)c1 60338137 FIMTXQMSTYSPAS-HNNXBMFYSA-N 357.425 3.890 0 40 FHAB CCNC(=O)C1CCN(C(=O)[C@@H](CC)c2cccc(C(F)(F)F)c2)CC1 75108172 LRNIJAYHDZETAF-INIZCTEOSA-N 370.415 3.574 0 40 FHAB CN(CC(=O)Nc1cc(Cl)ccc1F)Cc1ncc(-c2ccccc2)[nH]1 79112206 PHGPGHCSHZCQPT-UHFFFAOYSA-N 372.831 3.940 0 40 FHAB COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cc(Cl)ccc1O 35592604 PZZWWHSEWAUNLN-UHFFFAOYSA-N 362.234 3.817 0 40 FHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN1CCN(c2ccccc2)CC1 36047189 NGGKDTCGSHXTLI-XBYSBRQOSA-N 374.569 3.647 0 40 FHAB Cc1cc(C)c2c(=O)cc(CSCC(=O)NCc3ccccc3)[nH]c2c1 33063712 ZZOCFMRSWXQWNC-UHFFFAOYSA-N 366.486 3.695 0 40 FHAB CCc1ccc2cc(CNc3cc(OC)c(OC)c(OC)c3)c(=O)[nH]c2c1 72396064 JTMLZTFKWQKHFY-UHFFFAOYSA-N 368.433 3.728 0 40 FHAB COc1ccccc1CNC(=O)CN(C)c1nc2c(C)ccc(C)c2s1 70973818 JGIJJBNSXCYKFJ-UHFFFAOYSA-N 369.490 3.674 0 40 FHAB Cc1cccc(N2CCN(C(=O)C(C)(C)Oc3ccc(F)cc3)CC2)c1 32837399 PRPJWUSSCPZKJA-UHFFFAOYSA-N 356.441 3.640 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H](CNc2cccc(Br)n2)C1 40434974 LFCWXIGNSINUIR-GFCCVEGCSA-N 370.291 3.903 0 40 FHAB CCOC(=O)c1cc(N(CC)S(=O)(=O)c2ccccc2)ccc1Cl 224678655 MNGBGOVRJZWIGW-UHFFFAOYSA-N 367.854 3.732 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)NCCSCc1cccc(Cl)c1 225592147 GDWCUFSMRFBPFK-UHFFFAOYSA-N 373.902 3.999 0 40 FHAB C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)c1cccnc1S 40112343 WZLUIFKYAOVPAA-OAHLLOKOSA-N 355.507 3.675 0 40 FHAB Cc1cccc(OCCNC(=O)COc2cccc(C(F)(F)F)c2)c1C 223974807 USFGGEJKBSFUNU-UHFFFAOYSA-N 367.367 3.896 0 40 FHAB COc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1Cl 223305636 FAEQCDZOSDXBAB-UHFFFAOYSA-N 358.869 3.928 0 40 FHAB CCOc1ccccc1OCC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C 45674008 LETPPGCLMREANG-FQEVSTJZSA-N 367.449 3.854 0 40 FHAB CCOc1ccc(-c2nnc3sc(NC(=O)c4ccccc4)nn23)cc1 41108773 OTFVQZOTQRULSG-UHFFFAOYSA-N 365.418 3.504 0 40 FHAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(=O)O)cc1 225695691 CZJLFPXVYIXCGM-UHFFFAOYSA-N 365.470 3.956 0 40 FHAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCOCC)nc1C 225905835 BCBOZOULYXLTES-IBGZPJMESA-N 352.475 3.729 0 40 FHAB CC(C)C[C@@H](C(=O)Nc1ccc2c(c1)ncn2CCN(C)C)n1cccc1 575443580 SAYQIBJEAISKGW-FQEVSTJZSA-N 367.497 3.625 0 40 FHAB Cc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222666076 NOKGIENEFZJROF-GOSISDBHSA-N 366.505 3.870 0 40 FHAB COc1cc(C)c(S(=O)(=O)NCCSc2ccc(C)cc2)cc1C 225540524 WAHISBQWMLNYNN-UHFFFAOYSA-N 365.520 3.691 0 40 FHAB Fc1ccc(CN2CCc3c(COCc4ccncc4)cncc3C2)cc1 96059330 LZZYISPEJMUHJH-UHFFFAOYSA-N 363.436 3.891 0 40 FHAB Cc1cccc(OC2CCN(C(=O)c3ccc4ncsc4c3)CC2)n1 96119479 ZOXYAZIKVHXYPG-UHFFFAOYSA-N 353.447 3.683 0 40 FHAB c1ccc(COC[C@@]23CCCO[C@H]2CCN(Cc2cccs2)C3)nc1 96040224 IMVTZFCPCLNRMK-PMACEKPBSA-N 358.507 3.731 0 40 FHAB Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(c3ncccn3)CC2)n1 257315044 UZRPOHBLAHTKCH-UHFFFAOYSA-N 364.428 3.842 0 40 FHAB O=C(N1CCC[C@@H](c2cnccn2)C1)C1(Oc2ccccc2)CCCCC1 257307554 SZEZKEMZDRZEGJ-GOSISDBHSA-N 365.477 3.965 0 40 FHAB CC[C@H](C)n1ncc(C(=O)N[C@H]2CCCc3nc(O)ccc32)c1C1CC1 270463710 FYUWJDRVWPWETF-SJCJKPOMSA-N 354.454 3.640 0 40 FHAB NC1(C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)CC2(CCC2)C1 659255498 BNVQKGVVJCHNOR-UHFFFAOYSA-N 360.461 3.685 0 40 FHAB CCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CC[C@@H](O)C(F)(F)C1 664290738 FQZYTVXQXMONKS-DOTOQJQBSA-N 370.440 3.584 0 40 FHAB Cc1nc(-c2ccc(S(=O)(=O)N3CCCc4cccc(F)c43)cc2)co1 110097078 HZPSTZHBVDHRQJ-UHFFFAOYSA-N 372.421 3.931 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c1C 622316685 SNLPPBYEXVFZHW-KRWDZBQOSA-N 364.449 3.996 0 40 FHAB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NCC1CCCC1 47509104 GMMFDQWMVTXKFY-UHFFFAOYSA-N 352.434 3.515 0 40 FHAB CC(=O)c1c[nH]c(C(=O)Nc2cccc(COC[C@H]3CCCCO3)c2)c1 57111894 AXUBYYAHTIKZJW-GOSISDBHSA-N 356.422 3.555 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c(OC)c1 936264 GBLPROJWOJMTSN-XYOKQWHBSA-N 369.417 3.921 0 40 FHAB COC(=O)[C@@H](C)Sc1nnc(-c2ccccc2OC)n1-c1ccccc1 5736482 REOGCGOFQPBFCE-CYBMUJFWSA-N 369.446 3.597 0 40 FHAB Oc1cc(CSc2nc3ccccc3o2)nn1-c1nc2ccccc2[nH]1 13639497 MRCCBCWKAIUQLA-UHFFFAOYSA-N 363.402 3.888 0 40 FHAB CC[C@H](C(=O)Nc1ccccc1C(C)C)N(c1ccccc1)S(C)(=O)=O 13711449 IUCYFQMRLKMKTN-LJQANCHMSA-N 374.506 3.993 0 40 FHAB COc1ccc(NC(=O)c2cnc(Nc3nc(C)c(C)s3)nc2C)cc1 14607513 DDHIVMROFFJINC-UHFFFAOYSA-N 369.450 3.863 0 40 FHAB CCOc1ccc(OCCC(=O)OCC(=O)c2c[nH]c3ccccc23)cc1 15225246 ADHGLOBIRCVCAH-UHFFFAOYSA-N 367.401 3.762 0 40 FHAB COc1cc(NC(=O)c2cccc(C)c2OC)ccc1NC(=O)C(C)C 17073595 IDPDERASDYJBCH-UHFFFAOYSA-N 356.422 3.859 0 40 FHAB C[C@H]1CC[C@H]2C(=O)N(c3cccc(OC(=O)c4cccs4)c3)C(=O)[C@@H]2C1 18241334 MKLNZEWINHIHFL-APHBMKBZSA-N 369.442 3.893 0 40 FHAB Cc1cc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)Cc2ccccc2)on1 19121326 AAYBJHRYEOCGSJ-SFHVURJKSA-N 364.449 3.680 0 40 FHAB O=C(CCc1ccccc1)N[C@@H]1CCCc2nc(-c3ccncc3)ncc21 19370929 IHHMJZQSHBUIBH-LJQANCHMSA-N 358.445 3.665 0 40 FHAB CC1CCN(C(=O)c2cc([C@H]3CCCN(Cc4ccccc4)C3)no2)CC1 19496759 YHGFANIZXWMASQ-IBGZPJMESA-N 367.493 3.926 0 40 FHAB Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 19933259 VOINYDGZXOPSKW-MEJUDOHFSA-N 364.489 3.620 0 40 FHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cccc4ccccc34)ccc21 19936757 JHAHCKAGACBSIE-UHFFFAOYSA-N 368.414 3.568 0 40 FHAB Cc1cccc(OCC(=O)Nc2cc(C)c3nc(NN)sc3c2)c1C 226313084 QZCOXCCGTKXUHR-UHFFFAOYSA-N 356.451 3.525 0 40 FHAB O=C(Nc1cnc2c(c1)COCC2)c1ccc(OC(F)(F)F)c(Cl)c1 626379858 PUICOXOAMIZDPQ-UHFFFAOYSA-N 372.730 3.959 0 40 FHAB Cn1cccc1[C@H](CNC(=O)c1ccc(F)cc1F)N1CCCCCC1 11846333 VMHMNLCICBYHIA-IBGZPJMESA-N 361.436 3.650 0 40 FHAB O=C(O)c1cc2c(c(CSc3nnc(-c4ccccc4)o3)c1)OCOC2 11945236 YSCSBODWMKBHPF-UHFFFAOYSA-N 370.386 3.594 0 40 FHAB O=C(COc1ccccc1)N1CCCC[C@H]2NCC[C@H](c3ccccc3)[C@H]21 19373908 NCLNVSGZGBLMJB-MQSCRBSSSA-N 364.489 3.592 0 40 FHAB NC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccccc2)C1 19371770 JKBFODWEVDSQMQ-DEOSSOPVSA-N 371.484 3.669 0 40 FHAB CN(C)[C@H](CNC(=O)CCCc1c[nH]c2ccccc12)c1cccs1 32970911 FPRDXLPDRWOGQM-GOSISDBHSA-N 355.507 3.971 0 40 FHAB Cc1cc(CN2CCC[C@]3(CCC(=O)N3CC3CCCCC3)CC2)n(C)n1 1615101357 OIKXBMTYPZLGJN-QFIPXVFZSA-N 372.557 3.656 0 40 FHAB Cc1ccc(CN2C(=O)CC[C@@]23CCCN(Cc2nccs2)CC3)cc1 1565542473 DZPINYZLFGQSQY-OAQYLSRUSA-N 369.534 3.999 0 40 FHAB Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)Cc2ccccc2)cc1 4585382 SQAPOHTZRQHIES-UHFFFAOYSA-N 369.424 3.875 0 40 FHAB COc1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CCC3)c1 5252298 AFRPVHXLFFFLQN-UHFFFAOYSA-N 350.418 3.637 0 40 FHAB O=S(=O)(NCC1(c2cccs2)CC1)c1cccc(C(F)(F)F)c1 38593115 RTHFWKVYFOEDMB-UHFFFAOYSA-N 361.410 3.777 0 40 FHAB Cc1nc2sc([C@H](c3ccccc3)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 17144222 TWNXXGNDLYDOKC-ZENOOKHLSA-N 356.495 3.872 0 40 FHAB COc1ccccc1/C=C/C=C/[C@]12NC(=O)CN1c1ccccc1C2(C)C 2109701 CAVPWUNTQPMSRW-OOMVZUANSA-N 360.457 3.889 0 40 FHAB biogenic Cc1ccc(-c2nn(-c3ccccc3)cc2CNC[C@H]2CCCOC2)o1 40154953 DTYGFUOQIXOKQV-QGZVFWFLSA-N 351.450 3.957 0 40 FHAB C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 31214254 ZWIVDRXHBWNMNV-CQSZACIVSA-N 368.868 3.735 0 40 FHAB Cc1ccc(-n2nnc(C(=O)NCCc3ccccc3)c2C)cc1Cl 51317826 ARGCXMHZEFGIGG-UHFFFAOYSA-N 354.841 3.510 0 40 FHAB Cc1cccc(NC(=O)Cc2csc(COc3ccc(F)cc3)n2)n1 11701407 ZXCMCBYIDHMNKR-UHFFFAOYSA-N 357.410 3.746 0 40 FHAB O=C(CSc1nnc(NCc2ccco2)s1)NC1CCCCCC1 8280121 JENHEOGDVCGJJH-UHFFFAOYSA-N 366.512 3.674 0 40 FHAB CCOC(=O)c1c(NC(=O)CSc2ccccc2N)sc(C)c1C 929786 MTXOVPINQYDWGO-UHFFFAOYSA-N 364.492 3.855 0 40 FHAB COC(=O)[C@H](C)OC(=O)[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl 1747426 IYCQKPMQPNQYHM-BQBZGAKWSA-N 355.601 3.519 0 40 FHAB CC(C)c1noc(-c2ccc(OCC(=O)N[C@H](C)c3ccccn3)cc2)n1 32578807 KBGQGCYWTJHGNI-CQSZACIVSA-N 366.421 3.511 0 40 FHAB CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)[C@H]2C[C@@H]2C)nc1C 32736053 FCJXWJZBLGINOG-WFASDCNBSA-N 358.463 3.817 0 40 FHAB CSc1ccc(CN(C)C(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 32744562 BBXRYNVYBCGNBD-UHFFFAOYSA-N 372.490 3.512 0 40 FHAB CCn1c(S)nc2cc(C(=O)Nc3cc(C)ccc3C)ccc2c1=O 102360727 HPLZRWNIFXVYOG-UHFFFAOYSA-N 353.447 3.574 0 40 FHAB COCC(=O)N(Cc1cc2cc(OC)ccc2nc1Cl)C1CCCC1 4881009 JXABPKDWXHVBAW-UHFFFAOYSA-N 362.857 3.814 0 40 FHAB S=C(NCc1ccc2c(c1)OCO2)N[C@H]1CCSc2ccccc21 7735186 ANUAAWYRABYTAG-AWEZNQCLSA-N 358.488 3.617 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Cl)c3ncccc23)c1C 32909743 OESFXXBZNJNZPH-UHFFFAOYSA-N 357.797 3.872 0 40 FHAB CCN1CCN(c2ccc(N[C@H](C)C(=O)Nc3ccc(C)cc3)cc2)CC1 8393194 POGRZWKPISURTC-GOSISDBHSA-N 366.509 3.576 0 40 FHAB COc1ccc(CC(=O)Nc2ccnn2Cc2cccc(Cl)c2)cc1 8709196 KXLJWDRQQOSKIZ-UHFFFAOYSA-N 355.825 3.775 0 40 FHAB Cc1ccc(CCCC(=O)N2CCC(C(=O)Nc3ccncc3)CC2)cc1 52638511 MSODCMAMDCYARD-UHFFFAOYSA-N 365.477 3.590 0 40 FHAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc(-n2cccc2)cc1 10770132 OUTXVLPIPCRATF-UHFFFAOYSA-N 359.429 3.756 0 40 FHAB CNC(=O)[C@@H]1CCCCN1C(=O)c1oc2c(ccc3ccccc32)c1C 33211916 WPZQRPBERFJNIE-KRWDZBQOSA-N 350.418 3.635 0 40 FHAB CCOC(=O)c1cnn(-c2cc(Oc3ccc(C)cc3)nc(C)n2)c1C 632657 FMEIKLXVSZTMLI-UHFFFAOYSA-N 352.394 3.557 0 40 FHAB CCOC(=O)c1ccc(N2C(=O)[C@@H](C)[C@H](Cc3cccc(C)c3)C2=O)cc1 103441996 AAVCOXQQMAGJPK-KXBFYZLASA-N 365.429 3.540 0 40 FHAB CCc1cc(O)n2nc([C@@H]3CCCCN3Cc3cccc(OC)c3)cc2n1 100727907 MVHGWMDAQLKRPW-IBGZPJMESA-N 366.465 3.733 0 40 FHAB COC(=O)CS[C@H](C)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 23647139 KFBJIZKSZSIJEP-SNVBAGLBSA-N 360.460 3.619 0 40 FHAB Cc1cc(S[C@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)ncn1 1469976 KFCGZEDPBYFMMD-JTQLQIEISA-N 356.706 3.736 0 40 FHAB Cc1ccccc1[C@@H](C)NC(=O)c1ccc(CSc2ncn[nH]2)cc1 22241341 FVYUMNIUNMAWSO-CQSZACIVSA-N 352.463 3.896 0 40 FHAB COC(=O)Nc1cccc(NCC(=O)N2c3ccccc3CC[C@H]2C)c1 55875598 IAHLONKDSORAHA-CQSZACIVSA-N 353.422 3.645 0 40 FHAB O=C(Oc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1)c1cccs1 102088975 GNWACBUFBASGMC-MWDDYTRKSA-N 367.426 3.503 0 40 FHAB CCCCc1noc(CN2CCCC[C@H]2CNC(=O)Nc2ccccc2)n1 26181963 WCUJSRKZZASKLN-KRWDZBQOSA-N 371.485 3.588 0 40 FHAB Cc1noc(C)c1CSc1ncccc1C(=O)N(C)Cc1ccncc1 47851041 UHRRCPXQGHXCDU-UHFFFAOYSA-N 368.462 3.646 0 40 FHAB Cc1sc(NC(=O)c2csnn2)nc1-c1ccc(OC(F)F)cc1 58180348 FPQTZMDMJLMNPQ-UHFFFAOYSA-N 368.390 3.824 0 40 FHAB COc1cccc(-c2ccc(=O)n([C@H]3CCc4ccccc4N=C3O)n2)c1 44890189 MMVZYQXWASQJID-IBGZPJMESA-N 361.401 3.694 0 40 FHAB Cc1nnc(NC(=O)NCc2cccc(CN3CCCCCC3)c2)s1 58299291 PYNFYXQETPYSGB-UHFFFAOYSA-N 359.499 3.544 0 40 FHAB O=C(NC1CC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 44900936 BRSMAAPEGKEOAQ-IBGZPJMESA-N 352.478 3.760 0 40 FHAB S=C(NCCCN1CCCCC1)Nc1ccc(Br)cc1 2285485 TWRVSDSGTCJZBO-UHFFFAOYSA-N 356.333 3.612 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(NC(C)=O)cc1 3357711 CXKZZVUTKGAWGM-NSHDSACASA-N 362.813 3.713 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)C23CC4CC(CC(C4)C2)C3)c1 10800523 NGWLCVRLCFFYAP-HIGJEIRPSA-N 369.461 3.976 0 40 FHAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(C)=O 2348891 FIPVFUJNTCODGL-UHFFFAOYSA-N 357.460 3.805 0 40 FHAB CC(C)CN1CCC(NC(=O)N[C@H](C)c2ccc(OC(C)C)cc2)CC1 45463065 URTNURMXQDWNFW-QGZVFWFLSA-N 361.530 3.954 0 40 FHAB COc1cccc(/C=C/C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1 12779323 ZZUFTVIIHRZYLK-KPKJPENVSA-N 350.418 3.583 0 40 FHAB CN(C)[C@H](CNc1nc(C(F)(F)F)nc2ccccc12)c1ccco1 12860178 XVAJXKLPUOKZRH-CYBMUJFWSA-N 350.344 3.956 0 40 FHAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)c2ccc(Cl)s2)c1C 3532050 MJOBUFIVLHBANF-UHFFFAOYSA-N 369.826 3.563 0 40 FHAB COc1ccc2c(COC(=O)[C@H]3Cc4ccccc4S3)cc(=O)oc2c1 12993992 GVHPFPOYOSLNQK-GOSISDBHSA-N 368.410 3.562 0 40 FHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(SC(F)(F)F)cc1 12938355 XIQLIULTNZEHSD-UHFFFAOYSA-N 353.325 3.720 0 40 FHAB Cc1cc(NC(=O)c2ccc(-n3cncn3)cc2)ccc1Br 12999808 KNBAVIVHNNRUOU-UHFFFAOYSA-N 357.211 3.591 0 40 FHAB CCc1cccc(CC)c1NC(=O)CCN1C(=O)[C@H](C)Oc2ccccc21 12977903 MVUMZCOTTDZUHZ-HNNXBMFYSA-N 366.461 3.954 0 40 FHAB CN1C(=O)[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)CCc2ccccc21 13587887 HRRVJTJSCYCYMB-INIZCTEOSA-N 367.836 3.529 0 40 FHAB Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cc(C)c1OCc1cccnc1 49674640 LACWJCRNMFKLHN-LPHOPBHVSA-N 354.450 3.575 0 40 FHAB CC(C)c1ccc(NC(=S)N2CCCN(c3ncccn3)CC2)cc1 13722464 QRTOAHJOWXFACW-UHFFFAOYSA-N 355.511 3.509 0 40 FHAB C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(Br)o2)C1 65140871 YSMCVUZUDHAAQP-GXTWGEPZSA-N 363.255 3.607 0 40 FHAB CC(C)(C)OC(=O)NC(C)(C)C(=O)OCC(=O)c1cccc2ccccc12 65213773 WCMRKPXFFOSSNH-UHFFFAOYSA-N 371.433 3.869 0 40 FHAB CN(C)C(=O)C[C@H](NC(=O)Nc1cccc2cccnc12)c1ccccc1 65479407 FLFXQGOJIPPDST-SFHVURJKSA-N 362.433 3.576 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2cccnc2)n1C 14018374 AYRXCXXSTXYECP-UHFFFAOYSA-N 363.446 3.642 0 40 FHAB O=C(Nc1ccnn1C[C@H]1CCOC1)c1cccc(Oc2ccccc2)c1 65554326 IKRPLZMMMHOQTJ-MRXNPFEDSA-N 363.417 3.964 0 40 FHAB CC[C@H](C(=O)Nc1ccc(F)c(Cl)c1)n1cnc2ccccc2c1=O 5307944 NSGOQHKQBADTRD-MRXNPFEDSA-N 359.788 3.779 0 40 FHAB O=C(OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2)c1cnccn1 6486373 JQOPXMYQHWKNEY-HXUWFJFHSA-N 366.348 3.581 0 40 FHAB CC[C@H](C)c1ccc(NC(=O)CCc2c(C)nc(SC)[nH]c2=O)cc1 14185509 RHQNTYHODAUOFJ-LBPRGKRZSA-N 359.495 3.885 0 40 FHAB O=C1CCCN1c1ccc(C(=O)N(Cc2ccccc2F)C2CC2)cc1 14135444 SHMOWTORNVUQOV-UHFFFAOYSA-N 352.409 3.757 0 40 FHAB Cn1nnnc1Sc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 6651889 MSYPFTPXDNQRKQ-UHFFFAOYSA-N 369.837 3.523 0 40 FHAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3F)oc2N(C)C)cc1 4747638 WZGXXQAZQKHAFL-UHFFFAOYSA-N 360.410 3.688 0 40 FHAB O=C(CSc1nnnn1-c1ccccc1)c1ccc(Cl)cc1Cl 5652221 LPCLZPDCDDQCJR-UHFFFAOYSA-N 365.245 3.944 0 40 FHAB CCOc1ccc(CN(C)Cn2[nH]c(C(C)C)nc2=S)cc1OC 8733981 LDCZDNCSVRWFHO-UHFFFAOYSA-N 350.488 3.561 0 40 FHAB COc1cc(CNC(=O)c2cc3ccccc3s2)cc(OC)c1OC 15137325 CYKNFPAZODTAOC-UHFFFAOYSA-N 357.431 3.857 0 40 FHAB O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)c1ccncc1 8756219 CRAHOUHIGLFRLH-UHFFFAOYSA-N 361.776 3.671 0 40 FHAB Cc1ccccc1-c1n[nH]c(SCC(=O)Nc2nc(C)c(C)s2)n1 7342025 AHRHRTDKVUBNTG-UHFFFAOYSA-N 359.480 3.584 0 40 FHAB CCn1c(SCC(=O)N(C)Cc2ccc(C)o2)nnc1-c1ccccc1 7768058 ZGFVKJVDIRXGPY-UHFFFAOYSA-N 370.478 3.617 0 40 FHAB CS(=O)(=O)c1ccc(NC(=O)CCc2ccc(-c3ccccc3)o2)cc1 7989172 WUAIFDOMXIIMAK-UHFFFAOYSA-N 369.442 3.921 0 40 FHAB Cc1cccc(C)c1NC(=O)CN(Cc1cccs1)C[C@H]1CCCO1 7927198 FOJJHKOXAPILFI-QGZVFWFLSA-N 358.507 3.985 0 40 FHAB Cc1ccc2nc(CN[C@H](c3ccccc3)c3cccs3)cc(=O)n2c1 7924457 BEUFEWSAFOVRGO-OAQYLSRUSA-N 361.470 3.944 0 40 FHAB CCC(CC)C(=O)Nc1nc(-c2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)cs1 19796650 CWTYWJZONAMDET-LLVKDONJSA-N 373.478 3.929 0 40 FHAB COc1ccccc1CN(C)S(=O)(=O)Cc1ccc(Cl)cc1Cl 20481094 DFPOOFSLLRMSKA-UHFFFAOYSA-N 374.289 3.964 0 40 FHAB Cc1csc(-c2nonc2NC(=O)c2cccc(Br)c2)n1 9415045 ZUJAEJNHSNAZDL-UHFFFAOYSA-N 365.212 3.516 0 40 FHAB COc1ccc([C@H]2CC(=O)Nc3ncn(-c4cccc(Cl)c4)c32)cc1O 96335705 FFAUFZHQUYZSCB-CQSZACIVSA-N 369.808 3.714 0 40 FHAB C[C@H]1CCC[C@@H](C)CN1C(=O)c1oc2ccccc2c1CS(C)(=O)=O 97002780 LVRNOGNEALWINF-KGLIPLIRSA-N 363.479 3.628 0 40 FHAB O=S(=O)(CCc1ccccc1)N1CCC(Cc2cccc(F)c2)CC1 84529206 DPVJBSDWOQNJFB-UHFFFAOYSA-N 361.482 3.653 0 40 FHAB COc1ccc([C@H]2C[C@@H](C)N(C(=O)CN3CCc4sccc4C3)C2)cc1 84686411 XYQPQWSKFWFYNH-QAPCUYQASA-N 370.518 3.519 0 40 FHAB C/C(=C\C(=O)Nc1ccc(C(=O)c2nccn2C)cc1)c1ccccc1F 98055245 OMZNCWCXRYIZQG-BUHFOSPRSA-N 363.392 3.832 0 40 FHAB CC(C)n1cnc(S(=O)(=O)N2CC(C)(C)c3c(Cl)cccc32)c1 95973665 ONBYJLYIWLDVHP-UHFFFAOYSA-N 353.875 3.604 0 40 FHAB Cc1nc(SCc2nnnn2-c2ccccc2)c2c(C)c(C)sc2n1 9914481 FLSJKLCHAOKFSI-UHFFFAOYSA-N 368.491 3.885 0 40 FHAB CCOc1ccccc1C(=O)NCCOc1cccc2c1OC(C)(C)C2 24450790 JIOFKCNALFZMBT-UHFFFAOYSA-N 355.434 3.608 0 40 FHAB O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc2c(c1)OCCCO2 23714035 DQCZTUPACJGCDS-UHFFFAOYSA-N 374.396 3.600 0 40 FHAB CCCOc1c(Br)cc(C(=O)N2CCCC2)cc1OCC 409376939 CGOHOVJBCUYOCO-UHFFFAOYSA-N 356.260 3.873 0 40 FHAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2ccccc2OC)c1C 219560077 MTNUJQRFKOJDCF-QGZVFWFLSA-N 371.433 3.976 0 40 FHAB O=C(CN1CCCCCC1)N1CCC[C@@H]1c1n[nH]cc1-c1ccc(F)cc1 72380342 ZLSLRISDNXUXHG-LJQANCHMSA-N 370.472 3.755 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1 219066659 CNKDTZXVBOZWPK-IRXDYDNUSA-N 357.450 3.663 0 40 FHAB Cc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4cccnc4)C3)n2)c1 72362096 PFILSWGSLVPTMC-GOSISDBHSA-N 374.444 3.992 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)CCc1cn(C)c2ccccc12 79489428 DGCBLPWISUARIV-UHFFFAOYSA-N 365.433 3.717 0 40 FHAB O=C(/C=C\c1ccccc1)Oc1ccc(I)cc1 33341394 BONZWJZCACURHN-WDZFZDKYSA-N 350.155 3.910 0 40 FHAB COc1cc(CNC(=O)c2ccc(C)c(F)c2)ccc1OC[C@@H]1CCCO1 36390482 UUFPQJBAPWAHLG-KRWDZBQOSA-N 373.424 3.631 0 40 FHAB O=C1CC(c2cccc(N[C@H]3CCC[C@@H](c4cccnc4)C3)c2)CC(=O)N1 562673626 SWFJALXLNCQJAK-BEFAXECRSA-N 363.461 3.740 0 40 FHAB C[C@@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)NCc1ccccc1 227152409 IYFIIQOJXUTSFK-CQSZACIVSA-N 355.825 3.609 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSc1ccccc1 224094009 IXCYZAQBQMZGAB-IBGZPJMESA-N 370.518 3.722 0 40 FHAB C[C@@H]1OCCN(Cc2c(C(=O)O)oc3ccc(Br)cc23)[C@H]1C 570404001 ZEBJIGIUOQYKOP-UWVGGRQHSA-N 368.227 3.503 0 40 FHAB C[C@H](NC(=O)CCSCc1ccccc1)c1ccc2c(c1)OCCO2 222700545 MYVONITTZQWWHH-HNNXBMFYSA-N 357.475 3.959 0 40 FHAB COc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2)cn1 225304559 JNAQLZNMBCIHSE-UHFFFAOYSA-N 367.927 3.963 0 40 FHAB O=C(NCC1CCN(c2cccnc2)CC1)c1ccc(C(F)(F)F)cc1 225655035 RFAGLXSKBJDTTK-UHFFFAOYSA-N 363.383 3.747 0 40 FHAB O=C(Cc1ccc2c(c1)OCC2)N[C@H]1CCCc2c1[nH]c1ccc(F)cc21 96117612 UWAIGAMTEKMWCT-IBGZPJMESA-N 364.420 3.978 0 40 FHAB C[C@H](C(=O)Nc1ccccc1-n1ccnc1)[C@@H]1OCCc2sccc21 584876222 DGEYRVVQXCHREN-UGSOOPFHSA-N 353.447 3.822 0 40 FHAB Cc1cncc(C(=O)N2CCC[C@@H](c3ccnc(Nc4ccccn4)c3)C2)c1 257282018 ORYNOOAPXGVEBE-GOSISDBHSA-N 373.460 3.943 0 40 FHAB C[C@@H]1CCCCN1CCS(=O)(=O)Oc1ccc(Cl)cc1Cl 255190602 YHHSKMXBWODITL-LLVKDONJSA-N 352.283 3.576 0 40 FHAB O=C(CSc1ccc(F)cc1)NCCn1cc(-c2ccccc2)cn1 253471067 AYHZIIBCAUGSOG-UHFFFAOYSA-N 355.438 3.598 0 40 FHAB COC1(CNC(=O)Cc2c(F)cccc2Cl)C2CC3CC(C2)CC1C3 96123874 PDQKMOZSCIONQR-UHFFFAOYSA-N 365.876 3.979 0 40 FHAB O=C(c1ncoc1C1CC1)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 645971560 KEVOANIEVRZTQJ-CQSZACIVSA-N 366.339 3.785 0 40 FHAB CC(C)CN(C(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 575422269 UKPALTDGINZVAY-FQEVSTJZSA-N 357.519 3.921 0 40 FHAB Cc1ccnc(NC(=O)c2ccccc2N(C)C(=O)c2cccs2)c1 41817771 QLNZHCRGMFOXPZ-UHFFFAOYSA-N 351.431 3.980 0 40 FHAB C[C@H](NC(=O)N1CC=C(c2ccc(O)cc2)CC1)c1ccc2c(c1)OCO2 55075822 GTRBHZOCVGAEOB-AWEZNQCLSA-N 366.417 3.681 0 40 FHAB O=C(N[C@H](Cc1ccccc1Cl)c1ccccc1)N1CCC[C@@H](O)C1 68886773 YMPXRBFFGUSORX-IEBWSBKVSA-N 358.869 3.790 0 40 FHAB COc1ccc([C@H](NC(=O)Nc2nnc(C(F)F)s2)C2CC2)cc1 67586314 KJRRUTMQKOUINP-LLVKDONJSA-N 354.382 3.757 0 40 FHAB Cc1csc([C@](O)(CC(=O)N2c3ccccc3C[C@@H]2C)C(F)(F)F)n1 67706915 KMYOSEDRMXOCTE-MEDUHNTESA-N 370.396 3.569 0 40 FHAB CCN(CC)S(=O)(=O)c1cc(Cl)c(Cl)cc1Br 1616185527 NTBRXXOKYJUXED-UHFFFAOYSA-N 361.088 3.786 0 40 FHAB CC(C)C(=O)N1CCCc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc21 5136395 BQRNVBYQTFKQEL-UHFFFAOYSA-N 366.417 3.603 0 40 FHAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](OS(=O)(=O)O)CC[C@@]43C)[C@@H]1CCC2=O 5764525 CZWCKYRVOZZJNM-HKQXQEGQSA-N 368.495 3.706 0 40 FHAB in-vitro Cc1ccc(OCc2nc(C(=O)Oc3ccc4c(c3)OCO4)cs2)cc1 18185548 KZARYBIBIOVLSE-UHFFFAOYSA-N 369.398 3.978 0 40 FHAB Cc1cc(C)n(-c2cccc(C(=O)NC[C@H](C)n3nc(C)c(C)c3C)c2)n1 19574738 CLNYEITZDBPBIJ-HNNXBMFYSA-N 365.481 3.602 0 40 FHAB Cc1nc(N)nc(C)c1CCC(=O)Nc1ccc(OC2CCCC2)cc1 19657597 IFWQOILPEOUQGM-UHFFFAOYSA-N 354.454 3.568 0 40 FHAB CC1(NC(=O)c2ccc([C@@H]3CCCN(Cc4ccccn4)C3)nc2)CCC1 19705790 PQABGEBZENLLDO-GOSISDBHSA-N 364.493 3.529 0 40 FHAB CCCC(=O)NC(=S)Nc1cc(-c2ccc(C(=O)O)o2)ccc1Cl 226351065 DUEXOYUDPGNJBZ-UHFFFAOYSA-N 366.826 3.911 0 40 FHAB Cc1ccc(C(=O)NC(=S)Nc2cccc(/C=C/C(=O)O)c2)cc1Cl 226323192 WUCUVJWKVKUUMI-SOFGYWHQSA-N 374.849 3.873 0 40 FHAB CCOc1ccc(C(=O)Nc2cc(Cl)c3nc(NN)sc3c2)cc1 226311334 DJZYMSRKWPAGLW-UHFFFAOYSA-N 362.842 3.886 0 40 FHAB CO[C@]1(COc2ccccc2)CCCN(C(=O)CCc2ccccc2)C1 2037909164 ZESDDGNXFDQHLB-JOCHJYFZSA-N 353.462 3.706 0 40 FHAB COc1ccc(N2C(=O)c3ccccc3C2=O)cc1NC(=O)c1ccccc1 707436 OTOJKUWKPMPLLA-UHFFFAOYSA-N 372.380 3.748 0 40 FHAB Cc1ccc2cc(CCNC(=O)CCCc3ccccc3)c(=O)[nH]c2c1C 4032968 FVONTRXQBOHJJJ-UHFFFAOYSA-N 362.473 3.827 0 40 FHAB CCOc1ccc(C(=O)Nc2nc3c(OC)ccc(OC)c3s2)cc1 4331347 QFDYWUMPLUQHGW-UHFFFAOYSA-N 358.419 3.965 0 40 FHAB O=C(CSc1ccc2nnc(-c3cccs3)n2n1)c1ccccc1 7386543 WNUDHOFHLKDEGX-UHFFFAOYSA-N 352.444 3.828 0 40 FHAB CSc1cccc(-n2nnc(C(=O)OCc3ccccc3C)c2C)c1 12416126 CYKNVRFXAUKYNI-UHFFFAOYSA-N 353.447 3.963 0 40 FHAB O=c1ccc(-c2ccccc2)nn1Cc1nc(-c2ccccc2Cl)no1 16844752 BUSQKZAPHCZHCP-UHFFFAOYSA-N 364.792 3.662 0 40 FHAB COc1ccc(C(=O)NC[C@@H](O)c2ccc(-c3ccco3)cc2)cc1F 1775966756 XPBVAOIAYXBWJD-QGZVFWFLSA-N 355.365 3.558 0 40 FHAB CCOc1ccc2c(c1)s/c(=N/C(=O)Nc1ccc(OC)cc1)n2C 100814222 JQXDRMPJGHPXOM-CZIZESTLSA-N 357.435 3.780 0 40 FHAB O=C(NC[C@@H]1CCCN1c1ccccn1)C(c1ccccc1)c1ccccc1 225630182 MPGRXWMTSUOUJT-NRFANRHFSA-N 371.484 3.999 0 40 FHAB O=S(=O)(c1cccs1)N(Cc1ccsc1)Cc1ccccn1 44446094 CURKFUATBIEFOQ-UHFFFAOYSA-N 350.490 3.596 0 40 FHAB O=C(CNc1ccccc1Cl)NC[C@@H](O)c1ccc2ccccc2c1 81959143 YZUQWFPXLYFPLC-LJQANCHMSA-N 354.837 3.755 0 40 FHAB COc1ccccc1CCNC(=O)Nc1c(F)c(F)c(F)c(F)c1F 40096763 IKSWRXVMOCCUIH-UHFFFAOYSA-N 360.282 3.755 0 40 FHAB CSc1nnc(CCCNC(=O)Nc2ccccc2)n1C1CCCC1 40007560 XIKPRJRSQHQBEG-UHFFFAOYSA-N 359.499 3.869 0 40 FHAB CN1CCc2c(sc3nc(SCCc4ccccc4)nc(N)c23)C1 20391832 NYBCZILMTGEJHD-UHFFFAOYSA-N 356.520 3.596 0 40 FHAB Cc1[nH]c2ccc(C(=O)N3CCC[C@@H]3c3nnc4ccccn34)cc2c1C 31505953 IBZNWKWEUNBGAK-GOSISDBHSA-N 359.433 3.805 0 40 FHAB Cc1nc(Cc2ccccc2)sc1C(=O)NCc1ccc2c(c1)OCO2 31867924 DAWZHXNSNKDQAP-UHFFFAOYSA-N 366.442 3.701 0 40 FHAB CC(C)N(C)Cc1ccccc1CNC(=S)NCCc1ccccc1 36847609 BNYIFBOAMWTEIB-UHFFFAOYSA-N 355.551 3.734 0 40 FHAB CC(C)(C)NC(=O)CSc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 8692804 RUMORYDIBKQJBN-UHFFFAOYSA-N 373.503 3.658 0 40 FHAB CCn1c(SCC(=O)c2ccc(OC)cc2OC)nnc1-c1ccco1 1368480 VMUZVXASEKZTEQ-UHFFFAOYSA-N 373.434 3.550 0 40 FHAB COC(=O)[C@]1(C)CCc2c(cc(OC)c3cccc(OC)c23)[C@H]1CC(=O)O 1596020 KVWMGGAYCRYXGY-QVKFZJNVSA-N 372.417 3.541 0 40 FHAB O=C(c1ccccc1)N1CCO[C@@](O)(c2ccccc2)[C@H]1c1ccccc1 1664735 AKDFQEHQNVGHEX-GGAORHGYSA-N 359.425 3.746 0 40 FHAB COCCN1C(=O)c2n[nH]c(-c3ccco3)c2[C@@H]1c1ccccc1Cl 20721129 UBRRYWQNTOLPET-KRWDZBQOSA-N 357.797 3.515 0 40 FHAB CCOc1ccc2nc(NC(=O)COc3ccc(OC)cc3)sc2c1 2653034 IFHGVHVTNSUUCW-UHFFFAOYSA-N 358.419 3.721 0 40 FHAB O=C(NC(=S)Nc1cccc(F)c1)c1cccc(Br)c1 6511577 PNLPOJZEAYOKFH-UHFFFAOYSA-N 353.216 3.715 0 40 FHAB O=C(NCc1ccccn1)C(=O)c1c(-c2ccccc2)cc2ccccn12 7365784 MPPNGRUVLYLISZ-UHFFFAOYSA-N 355.397 3.500 0 40 FHAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1cccc(C(F)(F)F)c1 10333201 OLORZSKNPJULSP-UHFFFAOYSA-N 372.368 3.638 0 40 FHAB COCc1ccc(CNC(=O)c2ccc(F)cc2Br)cc1 33190576 FTABOMKVHCWCES-UHFFFAOYSA-N 352.203 3.665 0 40 FHAB C[C@@]1(C(=O)OCc2cc(Cl)c3c(c2)OCCO3)CC1(Cl)Cl 22531548 AIHXBWBMTAZVLM-ZDUSSCGKSA-N 351.613 3.738 0 40 FHAB COc1ccc(NC(=O)c2ccc(COC(=O)c3ccccn3)cc2)cc1 12485116 AYYHSMQFSFXLHK-UHFFFAOYSA-N 362.385 3.700 0 40 FHAB COc1ccc(C(C)=O)cc1CN1CCCN(Cc2ccc(C)cc2)CC1 22995338 JFGKMFFNDUQMES-UHFFFAOYSA-N 366.505 3.914 0 40 FHAB CCO[C@H](c1ccc(Br)cc1)[C@H](NC)C(=O)c1ccccc1 61868582 HXBYRMFPYAGPJO-SJLPKXTDSA-N 362.267 3.998 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)n1 3171824 RIDSUALTXDPFTB-UHFFFAOYSA-N 358.445 3.943 0 40 FHAB COc1ccc2cc(CN[C@H](C(=O)NC3CC3)c3ccccc3)ccc2c1 55009412 IUMYKZZAKOSLGO-QFIPXVFZSA-N 360.457 3.958 0 40 FHAB Cc1[nH]c2ccccc2c1CC(=O)NCc1ccc(CN2CCCC2)cc1 24627483 WCYTWIOYSLOYSD-UHFFFAOYSA-N 361.489 3.931 0 40 FHAB O=C(CN1C(=O)CSc2ccccc21)Nc1cccc(Cl)c1F 25728529 ZOZBMMQWNVQFCG-UHFFFAOYSA-N 350.802 3.557 0 40 FHAB C[C@H](NC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)c1nc(-c2ccc(F)cc2)no1 107348296 HEVZEDXNHVYUKL-TZQJONAQSA-N 360.458 3.589 0 40 FHAB COc1ccc(CCN[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1 35335158 LZMWRQJZKKMISR-HXUWFJFHSA-N 365.433 3.504 0 40 FHAB CCCn1c(SCC(=O)Nc2ccccc2)nc2ccsc2c1=O 57425214 IHDJBEBMUHBRPT-UHFFFAOYSA-N 359.476 3.599 0 40 FHAB O=C1CCc2cc(C(=O)NCCSc3ccc(Cl)cc3)ccc2N1 23953367 STPYNZYKGCBMBI-UHFFFAOYSA-N 360.866 3.747 0 40 FHAB O=C(NCc1ccccc1)N1CCC(c2nnc(-c3ccco3)s2)CC1 23141004 ZSKVHNMVNUBEFS-UHFFFAOYSA-N 368.462 3.887 0 40 FHAB Cc1nc(CN2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)oc1C 58193629 JOKSHHWEYDDUEL-UHFFFAOYSA-N 368.264 3.556 0 40 FHAB CCOC(=O)C1CCN(C(=O)c2csc(-c3ccc(C)cc3C)n2)CC1 58268516 SIFOQQJYVPLFCP-UHFFFAOYSA-N 372.490 3.842 0 40 FHAB Cc1cc(C)n2nc(SCc3ncc(-c4ccc(F)cc4)o3)nc2n1 11020137 MIULUPOXQDSSRW-UHFFFAOYSA-N 355.398 3.828 0 40 FHAB CSc1nc(-c2ccco2)nc(C)c1C(=O)NCCc1cccs1 48340625 RHKWVBJBTXCFQC-UHFFFAOYSA-N 359.476 3.801 0 40 FHAB C[C@H](Sc1ncnc2ccccc12)C(=O)Nc1ccc2c(c1)OCCO2 3490710 HJDYDKCUQGCABU-LBPRGKRZSA-N 367.430 3.520 0 40 FHAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(C)nc2ccccc12 3516522 QQYMBWDOIYEMIE-AWEZNQCLSA-N 364.401 3.736 0 40 FHAB O=C(COC(=O)Cc1cccc2ccccc12)Nc1cc(F)ccc1F 3508113 PKDFYWSPGCUFGI-UHFFFAOYSA-N 355.340 3.842 0 40 FHAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccccc1Br 3506948 CSKVLBOUABTXEJ-UHFFFAOYSA-N 362.223 3.861 0 40 FHAB CC(C)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1 13342220 VNCWJGQZEQCBLY-UHFFFAOYSA-N 353.827 3.962 0 40 FHAB Cc1ccccc1NCc1nnc2n1N=C(c1ccc(F)cc1)CS2 19897524 ZVGGKTMOOLMQTG-UHFFFAOYSA-N 353.426 3.696 0 40 FHAB O=C(C=C(C1CC1)C1CC1)Nc1sc2c(c1C(=O)NC1CC1)CCC2 65066020 PXZDSXOSOBCDGE-UHFFFAOYSA-N 356.491 3.814 0 40 FHAB Cc1ccc(N(Cc2ccco2)C(=O)Cn2c(=O)oc3ccccc32)cc1 39975941 BJMUKGODONTCBQ-UHFFFAOYSA-N 362.385 3.729 0 40 FHAB Cc1cccc(CSc2nc(=O)n(Cc3ccco3)c3c2CCC3)c1 5267827 ZAKWCXYPVZUPGH-UHFFFAOYSA-N 352.459 3.974 0 40 FHAB Cc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2)no1 5303996 GHFGFRYJOHMNCN-SFHVURJKSA-N 358.353 3.839 0 40 FHAB Cc1cc(C(=O)OCC(=O)c2cc(C)n(-c3nccs3)c2C)c(C)o1 6579042 CBMAPTZKGWETDI-UHFFFAOYSA-N 358.419 3.800 0 40 FHAB COc1ccc(CC(=O)n2cccc/c2=N\C2CCCCC2)cc1OC 14903717 PWIHKUXZTRICND-LSDHQDQOSA-N 354.450 3.622 0 40 FHAB CN(C)C(=O)[C@@H](OC(=O)c1cccc(Cl)c1Cl)c1ccccc1 6987083 LZPXGZCOAHUPAN-HNNXBMFYSA-N 352.217 3.980 0 40 FHAB COc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 15538946 UCWBVJDSCRPTLI-SSGOSMAHSA-N 365.429 3.843 0 40 FHAB Cc1nc2ccc(N[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)cc2s1 7242038 BJOZWGWWLZIFHL-SNVBAGLBSA-N 355.419 3.773 0 40 FHAB Cc1cc(N2C[C@@H](C(=O)Nc3nccc4sccc34)CC2=O)ccc1F 96011148 XKWFGKVGUJKOJW-LBPRGKRZSA-N 369.421 3.735 0 40 FHAB CCOC(=O)c1cnc2c(-c3ccccc3)c(Cc3ccccc3)nn2c1N 7508711 BZLJUJMJLFRLFC-UHFFFAOYSA-N 372.428 3.746 0 40 FHAB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1cccc(Cl)c1 7577435 JUOAUNJCNNCARE-QMMMGPOBSA-N 354.888 3.885 0 40 FHAB CCc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 7653025 MXVLXKJPDQFFQY-MRXNPFEDSA-N 352.434 3.558 0 40 FHAB C[C@H](NC(=O)CNCCOc1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 16046963 QSGHXCUORWLDNP-INIZCTEOSA-N 372.484 3.969 0 40 FHAB O=C(Nc1nc2ccc(F)cc2s1)[C@H]1CC(=O)N(c2ccccc2F)C1 7719156 NRHXTVFBMCIYPB-JTQLQIEISA-N 373.384 3.566 0 40 FHAB Cn1c(=O)c2ccccc2n2c(SCc3ccc(Cl)cc3)nnc12 16320677 FIOUXUGXTDOAFA-UHFFFAOYSA-N 356.838 3.527 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)Cc1ccsc1 7927087 JYOWXEQXDTYVBZ-UHFFFAOYSA-N 354.479 3.621 0 40 FHAB C[C@@H](C(=O)N[C@H](C)c1ccccc1)N(C)CCOc1cccc(Cl)c1 16421809 RAHNBVHFJRJVJM-CVEARBPZSA-N 360.885 3.917 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 17116289 XJGWIOIJCNRMOH-HOTGVXAUSA-N 354.450 3.839 0 40 FHAB CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(OC)cc1 9462421 LRKYDUBRSICXAT-UHFFFAOYSA-N 364.445 3.979 0 40 FHAB CCc1cc2c(SCc3cc(=O)n4ccsc4n3)ncnc2s1 8405025 GFTCRPWCFCLCMG-UHFFFAOYSA-N 360.489 3.615 0 40 FHAB CC(=O)N[C@H](CC(=O)NCC12CC3CC(CC(C3)C1)C2)c1ccccc1 9613658 DDVXKKVXUTVQND-MYZSEDEFSA-N 354.494 3.587 0 40 FHAB Cc1ccc(N(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C2CCCCC2)nc1 84191521 AZOXGTZYIRMFIY-SFHVURJKSA-N 369.509 3.704 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1 95392599 CBLIFZBJSWKPKW-IJLUTSLNSA-N 350.513 3.551 0 40 FHAB Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NOCC(C)C 89608860 HZTYYMMUMBHHRR-UHFFFAOYSA-N 350.415 3.765 0 40 FHAB COc1ccc(CC(=O)NCCSCc2cccc(C)c2)cc1OC 408906953 LAJHRSNWTHGAFP-UHFFFAOYSA-N 359.491 3.604 0 40 FHAB CCOc1ccc(NCCc2n[nH]c(-c3ccc(N)cc3)n2)cc1OCC 64873706 JGBKEZIZNMVIPL-UHFFFAOYSA-N 367.453 3.506 0 40 FHAB CCn1cc(C(=O)Nc2c(C)cccc2C)c(=O)c2cc(OC)ccc21 22235725 DWKYYJFCWSSGMD-UHFFFAOYSA-N 350.418 3.899 0 40 FHAB O=C(Nc1cccc(-c2ccccc2)c1)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 518703149 MLLHZDYDNUTVSA-MOPGFXCFSA-N 370.474 3.537 0 40 FHAB CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccccc1O 409411937 NYKQMHWXLKNLTE-UHFFFAOYSA-N 368.462 3.710 0 40 FHAB COc1cc(C)c(S(=O)(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)cc1C 184958993 SSKUMWXKVGOBKL-AWEZNQCLSA-N 371.458 3.581 0 40 FHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)CSc1ccccc1 78579125 IDRDKNNHGVNSPU-UHFFFAOYSA-N 359.476 3.939 0 40 FHAB CSc1nc(Cl)cc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 72203192 LRDDQHYBDQRMNM-SNVBAGLBSA-N 358.895 3.663 0 40 FHAB CSCC[C@H](CO)NC(=O)c1sc(-c2ccc(Cl)cc2)nc1C 36569529 KULVJIUDVPJLCO-CYBMUJFWSA-N 370.927 3.616 0 40 FHAB O=C(O)c1csc(CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1 565601254 WHPVQWZVBJPJJZ-ZDUSSCGKSA-N 373.261 3.722 0 40 FHAB CCOC(=O)c1cccc(NC(=O)c2cccc(N3CCCC3=O)c2)c1C 219212520 CSHGJSGKXZZCBH-UHFFFAOYSA-N 366.417 3.551 0 40 FHAB C[C@@H](C(=O)N1CCC[C@H](c2[nH]ncc2-c2ccncc2)C1)c1ccccc1 72334777 ZPZCHAADGSGCDF-APWZRJJASA-N 360.461 3.981 0 40 FHAB Cc1ccc2c(c1)nnn2S(=O)(=O)c1ccc(Cl)c(C)c1Cl 41095948 RFACLUGOUWCHOR-UHFFFAOYSA-N 356.234 3.592 0 40 FHAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cccc(OC)c2)c1C 44902051 CTUMNGUDWXQCCT-CQSZACIVSA-N 357.406 3.586 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 223105890 HDHJIHPSOMFHFX-OAQYLSRUSA-N 366.505 3.708 0 40 FHAB COc1ccc(CCC(=O)NCCCc2ccc(OC)c(OC)c2)cc1C 225106805 JMTLBNPHGUVQMR-UHFFFAOYSA-N 371.477 3.702 0 40 FHAB CCCCNS(=O)(=O)c1cc(Br)c2cccc3c2c1CC3 41105688 LLIWTLHBGJVNTL-UHFFFAOYSA-N 368.296 3.779 0 40 FHAB Cc1cc2oc(=O)cc(CN3CCN(Cc4ccccc4)CC3)c2cc1C 20478904 KPHBAIFHPOWNHV-UHFFFAOYSA-N 362.473 3.728 0 40 FHAB biogenic CCCNC(=S)Nc1nc(N2CCCCCC2)cc(C(F)(F)F)n1 225887093 MEDYSLOMRXBKRA-UHFFFAOYSA-N 361.437 3.572 0 40 FHAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225053002 XSVDELQUYRNSMC-INIZCTEOSA-N 356.447 3.705 0 40 FHAB CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)cc1 85471086 CJOAWQVNOIFJQE-OYRHEFFESA-N 364.489 3.963 0 40 FHAB CCN(Cc1c(Cl)cccc1C(=O)O)C[C@@H]1COc2ccccc2O1 577069394 ITJFRIPYROWCTO-CYBMUJFWSA-N 361.825 3.700 0 40 FHAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@H](COCC2CC2)C3)cc1C 96105999 ATBMDVAXYDLWQC-FQEVSTJZSA-N 357.494 3.741 0 40 FHAB Cc1ccc(CN2CCOC[C@@]3(CCN(Cc4cccs4)C3)C2)s1 96062397 ULTZJBZJPLZPAG-LJQANCHMSA-N 362.564 3.843 0 40 FHAB C[C@@]1(c2ncc(Cc3ccccc3F)o2)CCCN(c2ncccn2)C1 257243366 IGPOXUNCYKAAEY-HXUWFJFHSA-N 352.413 3.753 0 40 FHAB Cc1ccc(CC(=O)N2CCCC[C@H]2c2cc(C)n3ccnc3n2)s1 257221610 DPVNOCFPFHHEIE-KRWDZBQOSA-N 354.479 3.704 0 40 FHAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H](c2ccc3cn[nH]c3n2)C1 257266856 MEWCVKBGOPXGRG-MRXNPFEDSA-N 357.417 3.526 0 40 FHAB Cn1cc(-c2ccco2)nc1CCNC(=O)C1(c2cccs2)CCCC1 85471278 DHIDAHYOKHHDEC-UHFFFAOYSA-N 369.490 3.912 0 40 FHAB CCc1ccc(C2CCN(C(=O)c3ccc(-n4cncn4)cc3)CC2)cc1 629412646 HOZAPBXQQGYCQU-UHFFFAOYSA-N 360.461 3.850 0 40 FHAB FC(F)(F)c1ccc(NCCCN=c2cc[nH]cc2C(F)(F)F)nc1 1650622895 YEJMUMAZYGALHS-UHFFFAOYSA-N 364.293 3.850 0 40 FHAB Cc1cccc(C(=O)N2CC3(C[C@H](OCc4csc(C)n4)CS3)C2)c1 575402675 DWCPARRLVYJBKU-KRWDZBQOSA-N 374.531 3.677 0 40 FHAB Cc1ccc(N2C[C@]3(CCN(C(=O)C4CCC(C)CC4)C3)CC2=O)cc1 585101586 VPGSYJNKXCZXIJ-CWZMJNCASA-N 354.494 3.777 0 40 FHAB c1c[nH]c(-c2nccnc2C2CCN(Cc3ccc4cc[nH]c4c3)CC2)n1 585182539 HGOWALXCFHBYME-UHFFFAOYSA-N 358.449 3.728 0 40 FHAB C[C@H]1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)C[C@@H]1O 89408336 GUKZESARNSQDFC-AAEUAGOBSA-N 358.488 3.868 0 40 FHAB O=C(NCCc1cccc(F)c1)c1cc2ccccc2nc1N1CCCC1 89873035 PYCKCXJYKNNPOC-UHFFFAOYSA-N 363.436 3.947 0 40 FHAB CCN1CCN(C(=O)C2(c3ccc(F)cc3)CCOCC2)c2ccccc21 95957284 BTJRSZIYBSUTMZ-UHFFFAOYSA-N 368.452 3.747 0 40 FHAB O=C(O)c1cc(Cl)c(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 97075209 OCWSOJDFNWRZIW-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB O=S(=O)(C[C@H]1C[C@H]2CC[C@H]1C2)NCCCc1c[nH]c2ccc(F)cc12 1661952126 WFKNAOFQJIVNCW-OFQRWUPVSA-N 364.486 3.595 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)COc2ccc(C(C)=O)cc2)c1 11229006 BFIBMFDPVKWFMI-UHFFFAOYSA-N 357.406 3.704 0 40 FHAB C[C@H]1Nc2ncnn2[C@@H](c2cccc(Cl)c2)[C@@H]1C(=O)Nc1ccccc1 11694783 YVELEDCTDYXBMH-JLZZUVOBSA-N 367.840 3.590 0 40 FHAB Cc1cnc(-c2nc(NC3CCCC3)ncc2-c2onc(C)c2C)cn1 12156288 IKIAXNCRGYGLME-UHFFFAOYSA-N 350.426 3.868 0 40 FHAB Cc1csc([C@H](Cc2ccsc2)NC(=O)CCn2ccc(C)n2)n1 12227350 CJHDCRDNJGQKGQ-HNNXBMFYSA-N 360.508 3.508 0 40 FHAB O=C1Cc2cc(-c3csc(NCc4ccco4)n3)cc3c2N1CCC3 14180596 XLDOIPMGUQXULE-UHFFFAOYSA-N 351.431 3.851 0 40 FHAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1 14398511 RYUIDINRRINPKL-CQSZACIVSA-N 358.413 3.714 0 40 FHAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N[C@@H](C)c2cccs2)c1 15544446 JJSJSXOPJQSZAP-LBPRGKRZSA-N 358.492 3.855 0 40 FHAB CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C(=O)CC(C)C 19446590 DFLNOSFIRWWPTH-VWPQPMDRSA-N 374.500 3.957 0 40 FHAB CC[C@@H](C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1)n1nc(C)cc1C 19499370 ZPSSBVZSDODWNK-XLIONFOSSA-N 373.472 3.908 0 40 FHAB CCOc1ccccc1C(=O)N(CC)[C@H]1CN(C(C)=O)C2(CCCCC2)C1 19704196 UHTJFKLXGUCMTB-GOSISDBHSA-N 372.509 3.871 0 40 FHAB COc1ccc(C2(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)CC2)cc1 12221384 INWBKWGQJMHNCL-LJQANCHMSA-N 361.445 3.967 0 40 FHAB CC(=O)c1cccc(NCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 9364447 UVJAZXIJZTZOSU-UHFFFAOYSA-N 352.312 3.838 0 40 FHAB COc1ccccc1CN1CCC(Oc2nccc(C(F)(F)F)n2)CC1 1888860045 TVENDVYKVCPCSZ-UHFFFAOYSA-N 367.371 3.547 0 40 FHAB COC(=O)C[C@@H](NC(=O)/C=C/c1cccc(F)c1)c1ccc(Cl)cc1 14809915 MKIPTRLYQFEGOW-JSNVTFDYSA-N 361.800 3.913 0 40 FHAB Cc1noc2ncc(C(=O)Nc3ccccc3OCC(F)(F)F)cc12 26137942 LJYJPMHJGQFPCL-UHFFFAOYSA-N 351.284 3.725 0 40 FHAB CCOc1ccc(N2C[C@](O)(c3ccc(Cl)cc3)[N+]3=C2CCCC3)cc1 2966387 FOPCUZVPRYNMAT-NRFANRHFSA-N 371.888 3.999 0 40 FHAB CO[C@H]1CC2(CCN(C(=O)CCc3ccc[nH]3)CC2)c2cc(C)ccc21 2055738944 CVNIWXQIHNUSOT-FQEVSTJZSA-N 352.478 3.907 0 40 FHAB Cc1ccc(CN2CCC(Nc3ccccc3)(C(=O)N3CCC3)CC2)s1 2055751180 QGWQWALVWUZQPD-UHFFFAOYSA-N 369.534 3.736 0 40 FHAB CCc1nc2sc([C@@H](c3cccc(F)c3)N3CCCCC3)c(O)n2n1 22853058 OJRYDLHRCHRRJF-OAHLLOKOSA-N 360.458 3.773 0 40 FHAB Cc1ccc(-c2noc(CN3C(=O)COc4cc(Cl)ccc43)n2)cc1 23126175 WMNKDIXDXLDTHN-UHFFFAOYSA-N 355.781 3.624 0 40 FHAB C=CC(=O)Nc1ccc(O)c(C(=O)N(C)[C@H](CC)c2cccc(OC)c2)c1 1626973251 RSGCJFKASHHGHP-GOSISDBHSA-N 368.433 3.749 0 40 FHAB CCSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2 2459572 MLPOWZSMMVADKN-UHFFFAOYSA-N 369.309 3.755 0 40 FHAB Oc1nc(SCc2ccccn2)nc2c1cnn2-c1cccc(Cl)c1 9018894 HVHRWVAABZMIHV-UHFFFAOYSA-N 369.837 3.862 0 40 FHAB Cc1ccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1Cl 10213472 XAXYLAAKXZTBQV-UHFFFAOYSA-N 358.877 3.777 0 40 FHAB CCCc1ccccc1NC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1 40133626 AJIKOFPZUHYNNB-HNNXBMFYSA-N 358.873 3.938 0 40 FHAB Cc1cccc(NC(=O)[C@H](Cc2ccccc2)N2Cc3ccccc3C2=O)n1 20531126 JGEAMJDBUCOKJH-FQEVSTJZSA-N 371.440 3.596 0 40 FHAB CCCN1[C@H]2CCC[C@H]1CC(NC(=O)c1ccccc1Br)C2 1369958 IZPAWRZBAHEEDZ-GJZGRUSLSA-N 365.315 3.974 0 40 FHAB C[C@@H](NC(=O)CCOc1ccc(F)cc1)c1ccc2c(c1)OCCCO2 32283915 QUJCHWUKAFCQEM-CQSZACIVSA-N 359.397 3.633 0 40 FHAB Cc1cc(NC(=S)NC(=O)c2cccs2)ccc1Br 3265128 BGPFCFCESYKFEO-UHFFFAOYSA-N 355.282 3.946 0 40 FHAB Cc1cc(NC(=O)COC(=O)c2ccccc2C)ccc1Br 3487318 UFAZAFFNMIDKBV-UHFFFAOYSA-N 362.223 3.861 0 40 FHAB CCOc1ccccc1C(=O)NCCc1cc2c(C)ccc(C)c2[nH]c1=O 3911811 DGLZESRIYZKGNT-UHFFFAOYSA-N 364.445 3.516 0 40 FHAB CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O 6959963 ALPBHFVVCVNPTD-NTEUORMPSA-N 358.781 3.542 0 40 FHAB CC[C@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 7079944 MJXQZWTUVHMHNI-LBPRGKRZSA-N 372.490 3.867 0 40 FHAB COc1ccc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)c(OC)c1 7182357 FFBTVEFHNCXJES-UHFFFAOYSA-N 374.780 3.764 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)c1 7504826 AKTIXEZWBAZKRR-IBGZPJMESA-N 352.478 3.728 0 40 FHAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2cc(C)ccc2C)CC1=O 7608173 KKFJACFRGXXDOM-AWEZNQCLSA-N 372.852 3.957 0 40 FHAB CCN(C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccccc1 32727558 CTKUPTCSZZLDDA-UHFFFAOYSA-N 372.415 3.870 0 40 FHAB CC(C)c1ccc(NC(=S)NC(=O)c2ccc3nsnc3c2)cc1 59294378 DYPHVEXBKDITMR-UHFFFAOYSA-N 356.476 3.942 0 40 FHAB CCn1c(CNC(=O)CCC(=O)c2ccc(Cl)cc2)nc2ccccc21 57995805 IXKVRDDVDBTRLI-UHFFFAOYSA-N 369.852 3.989 0 40 FHAB COc1cccc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3C)CC2=O)c1 8247852 ZLSWPJXTIPWIIM-CYBMUJFWSA-N 358.825 3.649 0 40 FHAB Cc1cc(NC(=O)COC(=O)c2ccccc2)cc(C)c1Br 8433627 SHYSGDAOJSPXTN-UHFFFAOYSA-N 362.223 3.861 0 40 FHAB CN1CCCC[C@@H]1CCSc1ncnc2c1cnn2-c1ccccc1 32911211 WRMAKVHCEDVIRT-OAHLLOKOSA-N 353.495 3.782 0 40 FHAB C[C@@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)NC4CCCCC4)cc3c2C1 32945378 ZVWAVZUZCDFZQL-CQSZACIVSA-N 368.477 3.898 0 40 FHAB C[C@]1(C(=O)Nc2scnc2-c2ccccc2)Cc2ccccc2C(=O)O1 102725672 KPWHFDFUJVDLHR-HXUWFJFHSA-N 364.426 3.920 0 40 FHAB Cc1ccc2nc(COC(=O)c3csc4c3CC[C@H](C)C4)cc(=O)n2c1 21999357 LIKDXLQTKPINLP-LBPRGKRZSA-N 368.458 3.546 0 40 FHAB O=C1C[C@@H](c2cc(F)cc(F)c2)Cc2c1cnn2-c1nc2ccccc2[nH]1 9938855 PUAJPZXWMAGGKK-LBPRGKRZSA-N 364.355 3.940 0 40 FHAB COc1ccc(OCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 646392 PJPBYURKTAHBPW-UHFFFAOYSA-N 370.430 3.845 0 40 FHAB COc1ccc2cc(CN(C)c3ccc(C(=O)NC4CC4)cn3)ccc2c1 57984771 VAFNWDSRABJANQ-UHFFFAOYSA-N 361.445 3.772 0 40 FHAB CS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)cc1 47744716 DYIPRXXMRJQSFH-UHFFFAOYSA-N 359.378 3.742 0 40 FHAB O=C(Cc1ccccc1)NCCSc1ccc(Br)cc1 3105114 KKVUNJOODAOSQF-UHFFFAOYSA-N 350.281 3.900 0 40 FHAB COc1cc(OC)cc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)c1 22418016 YUQFCSSNLFEWII-UHFFFAOYSA-N 369.339 3.575 0 40 FHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3)C2=O)c(C)c1 1245379 NSBLEINIHMMOGA-BOPFTXTBSA-N 366.442 3.978 0 40 FHAB COCC(=O)Nc1cccc(NC(=O)C(C)(C)c2ccc(Cl)cc2)c1 55178568 QFQACZNWTFUNGL-UHFFFAOYSA-N 360.841 3.841 0 40 FHAB CN(C)[C@H](CNC(=S)N[C@H]1C[C@@H]2CC[C@@H]1C2)c1c(F)cccc1Cl 102971716 RADUOTONZMWTEX-AVRGHOLYSA-N 369.937 3.735 0 40 FHAB Cc1nc(-c2ccccc2)ccc1C(=O)NCc1cccnc1-n1cccn1 24795171 NYNYBNBGIOSGBC-UHFFFAOYSA-N 369.428 3.568 0 40 FHAB CCc1cccc(C)c1NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 57290088 FUOLLFCSPNBWLW-UHFFFAOYSA-N 371.912 3.972 0 40 FHAB Cc1c(Cl)cccc1-n1nnc(-c2nc(-c3ccc(F)cc3)no2)c1N 10273064 QRHBFVFWSSAYSM-UHFFFAOYSA-N 370.775 3.667 0 40 FHAB C[C@@H]1CCC[C@@H]2C1=NN(C(=O)c1ccc(Cl)cc1)[C@@]2(O)C(F)(F)F 409181859 GCSWADDBLXVKCC-BCQZVRRWSA-N 360.763 3.839 0 40 FHAB Cc1oc(-c2ccccc2)nc1CCNC(=O)[C@@]1(C)CC1(Cl)Cl 58432514 XXLPBRHMKKYZMA-MRXNPFEDSA-N 353.249 3.893 0 40 FHAB O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1CCc2ccccc21 12775354 QVRMKKUXSRUBDQ-PBHICJAKSA-N 372.877 3.947 0 40 FHAB COc1ccc(OC)c(NC(=O)[C@H](C)Nc2ccc3oc(C)nc3c2)c1 12740535 JIMCZIBQDXAKCP-NSHDSACASA-N 355.394 3.593 0 40 FHAB CC1CCN(S(=O)(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1 12866224 BJDOPCNXYRMUIY-OAQYLSRUSA-N 370.518 3.611 0 40 FHAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@@H]1COc2ccccc2O1 3483567 IAHGURNPXMKJQQ-INIZCTEOSA-N 356.378 3.728 0 40 FHAB CC(C)C(=O)Nc1ccc(NC(=O)C[C@@](C)(C(=O)O)c2ccccc2)cc1 12940222 ZZGIBQGQUFTQJW-OAQYLSRUSA-N 368.433 3.652 0 40 FHAB C[C@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1ccc(Cl)cc1Cl 13008094 KVXZIHFPFTWRPI-LBPRGKRZSA-N 365.260 3.770 0 40 FHAB Cc1ccc(CC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1 8303314 ZCZFULBMHVASFS-UHFFFAOYSA-N 365.260 3.941 0 40 FHAB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccccc2Cl)CC1=O 5016984 JMYZPUAODOVBKW-CYBMUJFWSA-N 358.825 3.730 0 40 FHAB CN(C)[C@H](CNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1ccccc1 14061955 QOGAKDLSKWHCLD-GOSISDBHSA-N 368.868 3.763 0 40 FHAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc2c3c(cccc13)CC2 14188887 WAVOLNAGXLMEMS-UHFFFAOYSA-N 370.452 3.995 0 40 FHAB Cn1c(SCC(=O)N2CCCCCC2)nnc1-c1ccccc1Cl 5448480 AJBUUTSEMFRFGO-UHFFFAOYSA-N 364.902 3.630 0 40 FHAB Cc1noc(C)c1S(=O)(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 17333060 XDAXNPDYIPYYGL-HNNXBMFYSA-N 366.439 3.560 0 40 FHAB COc1ccccc1N1C[C@H](C(=O)Nc2cccc(Cl)c2C)CC1=O 14494738 GFDVCLMXVRNQHZ-CYBMUJFWSA-N 358.825 3.649 0 40 FHAB COC(=O)[C@@H]1CS[C@@H](c2ccc(Cl)cc2)N1C(=O)c1ccccc1 5660354 GNDPXWULPZLZEP-RDJZCZTQSA-N 361.850 3.769 0 40 FHAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)NCc1ccccc1F 5630896 MBVVNRUCPJDOML-UHFFFAOYSA-N 363.388 3.752 0 40 FHAB CCOc1ccc([C@H](C)NC(=O)[C@H]2COc3ccccc3O2)cc1OCC 6881190 PESCWVQMGRPQRO-VBKZILBWSA-N 371.433 3.501 0 40 FHAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 4979654 UCVMWSVHIWMDIY-GJZGRUSLSA-N 366.461 3.670 0 40 FHAB O=S(=O)(NCCCOC1CCCCC1)c1ccc(C(F)(F)F)cc1 15359820 MDFCALXUIPZNNM-UHFFFAOYSA-N 365.417 3.723 0 40 FHAB Cc1cc(N)nc(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)n1 7177432 MUUACEBJYADOQU-SECBINFHSA-N 356.373 3.505 0 40 FHAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)cc1 7285437 GZFJJKMOADRLFC-UHFFFAOYSA-N 363.438 3.914 0 40 FHAB Cc1nc2cc(NC(=O)[C@@H](NC(=O)c3cccs3)C(C)C)ccc2o1 15627101 IMCCKFZHQRGJRM-INIZCTEOSA-N 357.435 3.591 0 40 FHAB CCN(CC(=O)Nc1ccccc1OC)Cc1cc(Cl)ccc1OC 7361103 OOYHVPFAZCTYKM-UHFFFAOYSA-N 362.857 3.818 0 40 FHAB COc1cc([C@@H]2SC(C)=Nc3c2c(O)nn3C(C)C)cc(OC)c1O 71287275 VXELRWYVRXXRLB-HNNXBMFYSA-N 363.439 3.779 0 40 FHAB O=C(Nn1cnc2ccccc2c1=O)c1ccc(-c2ccccc2Cl)o1 9741394 WUFHVRWQAWXGDM-UHFFFAOYSA-N 365.776 3.694 0 40 FHAB Cc1cc(C)c2cc(C(=O)OCC(=O)N(C)Cc3ccccc3C)[nH]c2c1 9256997 UJZGDBFQCIWGMC-UHFFFAOYSA-N 364.445 3.909 0 40 FHAB COc1ccccc1OCCN1CCC(c2ccnc(C(C)C)n2)CC1 89893783 CQTODUHHMVMKEY-UHFFFAOYSA-N 355.482 3.867 0 40 FHAB CN(Cc1ccccc1N1CCCC1)C(=O)/C=C/c1ccc2c(c1)OCO2 9364546 VJUQQXQKIILXQJ-PKNBQFBNSA-N 364.445 3.687 0 40 FHAB O=C(CCC(=O)c1ccc2c(c1)OCCCO2)Nc1ccc2c(c1)CCC2 9579134 AULBCIUSVCOOJQ-UHFFFAOYSA-N 365.429 3.938 0 40 FHAB COC(=O)[C@H](CNc1ncnc2sc3c(c12)CCCC3)c1ccccc1 83884295 FZEGHVRCIGYNAE-OAHLLOKOSA-N 367.474 3.939 0 40 FHAB C[C@H](NC(=O)[C@@H]1CSCN1C(=O)Nc1ccc(F)cc1)c1ccccc1 97123889 STORCDLZBBIJRW-GUYCJALGSA-N 373.453 3.610 0 40 FHAB Cc1nn(Cc2ccccc2Cl)c(C)c1CNCCNc1ccccn1 72310921 DSBUVYYGPYWKJU-UHFFFAOYSA-N 369.900 3.798 0 40 FHAB CC(C)OC(=O)C[C@@H](Nc1ncc(Br)cn1)c1ccccc1 72307594 QYKIAKOPOJTCIF-CQSZACIVSA-N 364.243 3.734 0 40 FHAB C[C@@H](CC(F)(F)F)N[C@@H](CN(C)C1CCN(C)CC1)c1ccccc1 97228344 FPXBYKNMENJQSI-YJBOKZPZSA-N 357.464 3.684 0 40 FHAB Cc1ccc(C(C)(C)CNC(=O)N2CCN(Cc3cccs3)CC2)cc1 78402259 ABNHSGHDNQTMOI-UHFFFAOYSA-N 371.550 3.862 0 40 FHAB CN(CCCNC(=O)c1c(F)ccc(OC(F)F)c1F)c1ccccc1 89340347 TYLUEGUWIOIOCA-UHFFFAOYSA-N 370.346 3.823 0 40 FHAB C[C@@H](CC[S@@](C)=O)NCc1cc(Cl)ccc1OCc1cccnc1 75110418 FLIAMOHAZDJUPX-BSEYFRJRSA-N 366.914 3.561 0 40 FHAB CCc1nn(C)c2[nH]nc(NC(=O)c3oc4c(C)ccc(C)c4c3C)c12 115493704 DKIYHSYQOVGKDS-UHFFFAOYSA-N 351.410 3.783 0 40 FHAB Cc1noc(C)c1S(=O)(=O)N1CC=C(c2c(C)[nH]c3ccccc23)CC1 67942336 FKPVEFZWNGFLLZ-UHFFFAOYSA-N 371.462 3.559 0 40 FHAB CCn1c(SCc2nc(C(C)(C)C)no2)nnc1-c1ccc(OC)cc1 30687532 OQPCVVVWMIHKNQ-UHFFFAOYSA-N 373.482 3.946 0 40 FHAB CCOc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(Cl)cc1 408557435 MRYYVIJXUDTVAF-UHFFFAOYSA-N 360.262 3.871 0 40 FHAB O=C(CN1CCC[C@H]1c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 32777618 ZRMRAWGFEVNOPS-INIZCTEOSA-N 358.825 3.844 0 40 FHAB CCC(=O)N1N=C(c2cccs2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 36393669 QKEYYQKAVDTWOK-AWEZNQCLSA-N 374.462 3.862 0 40 FHAB O=S(=O)(C1CCCCC1)N1CCC[C@@H]1c1nnc(-c2ccsc2)o1 72390172 YJUKJFNEBOSTCZ-CQSZACIVSA-N 367.496 3.598 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2NC2CCC2)cc1 72213907 UUBLSWKWZKCIJQ-LJQANCHMSA-N 371.506 3.880 0 40 FHAB COc1ccc(NC(=O)c2ccc(C)c(F)c2)cc1N1CCCCC1=O 32924867 TWHIRMDEGOHYJC-UHFFFAOYSA-N 356.397 3.912 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)N1CCC(Cc2ccccc2)CC1 198913102 JNPUZGZIOMATIH-UHFFFAOYSA-N 351.446 3.829 0 40 FHAB Cc1cccc(NC(=O)CN2C(=O)COc3cc(C(C)(C)C)ccc32)c1C 44841605 QTFBREBMGDAVDD-UHFFFAOYSA-N 366.461 3.965 0 40 FHAB COc1ccc(CCS(=O)(=O)N2CCC(c3ccsc3)CC2)cc1 75157168 BRLMRKVSYULUEG-UHFFFAOYSA-N 365.520 3.509 0 40 FHAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccc3c(c2)sc(=O)n3C)c1 225047375 LYPVDKHHHTZSLJ-UHFFFAOYSA-N 356.447 3.543 0 40 FHAB O=C(OC1CN(c2nc3ccccc3s2)C1)c1cc(-c2ccco2)on1 77200618 FYFMEPPQSQHRIW-UHFFFAOYSA-N 367.386 3.590 0 40 FHAB COC(=O)Cc1cc(Br)c(OCc2ccccc2)c(C=O)c1 90514032 GLHGIYOYXSQHIH-UHFFFAOYSA-N 363.207 3.556 0 40 FHAB O=C(Nc1ccccc1)N1C[C@H](OCc2nc3ccccc3o2)[C@H](F)C1 96112009 KOMPLNJPTMMAAB-PBHICJAKSA-N 355.369 3.599 0 40 FHAB biogenic,in-vitro Cc1ccc(CN2CCC3(CC2)C[C@H](N(C)Cc2ccncc2)CO3)s1 96048080 JTQPDMLBILCJJO-IBGZPJMESA-N 371.550 3.707 0 40 FHAB Cc1cc(N2CCC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)ncn1 257241452 HYBTZMPOWHPISE-MRXNPFEDSA-N 352.413 3.887 0 40 FHAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(O)c(OC)c3)N21 260775013 OSKPFECEDJMMDV-XWIAVFTESA-N 355.463 3.775 0 40 FHAB Cn1cc(-c2ccco2)nc1CCNC(=O)c1ccccc1C(F)(F)F 85471276 IWVKQQKDUCZNPY-UHFFFAOYSA-N 363.339 3.671 0 40 FHAB CN(Cc1cccc(OCCN2CCCCC2)c1)C[C@@H](O)c1ccccc1 585274414 WFMXKHSGWHAWSJ-HSZRJFAPSA-N 368.521 3.717 0 40 FHAB CC(=O)N1CCC[C@H](NCc2cc(C(C)C)no2)[C@@H]1Cc1cccc(C)c1 585285441 JVZAOQRIFPDMAX-UNMCSNQZSA-N 369.509 3.818 0 40 FHAB C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1csnn1 585113698 QCQMSXNKAMCWLN-OAHLLOKOSA-N 371.384 3.674 0 40 FHAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C)cc2)N1C(C)=O 11692264 OTLRGBJJBMKOLU-FPOVZHCZSA-N 362.429 3.512 0 40 FHAB CCc1onc(C)c1-c1nc(N2CCCCCC2)ncc1-c1cnccn1 12155936 BLIHSZQZHPLSEP-UHFFFAOYSA-N 364.453 3.840 0 40 FHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@@H]3C[C@@H]3C)cc2N1 12181353 BISQCRGCBIDFLI-SIJPQNPESA-N 370.419 3.900 0 40 FHAB COc1cccc2ccc(CN3CCC(O)(c4ccccc4F)CC3)nc12 12363489 WGLCFPIUMWBMSL-UHFFFAOYSA-N 366.436 3.866 0 40 FHAB CCOc1ccc([C@@H]2C[C@H](c3cccc(OC)c3)Nc3ncnn32)cc1 13132072 IBYVMGIKGXBCNA-MOPGFXCFSA-N 350.422 3.832 0 40 FHAB COc1ccc2[nH]c(=O)c(CN(C(C)=O)c3ccc(C)c(C)c3)cc2c1 13479912 QKPKUOUFLCXQOC-UHFFFAOYSA-N 350.418 3.707 0 40 FHAB CCCn1c(=O)n(CCC(=O)Nc2ccccc2CC)c2ccccc21 16699731 OIXDGMHRAAAIJL-UHFFFAOYSA-N 351.450 3.804 0 40 FHAB Cc1cccc(C(=O)N2CC[C@H](c3nc(Cc4cccs4)no3)C2)c1 19234391 FPTRSYGYSBUXGP-HNNXBMFYSA-N 353.447 3.660 0 40 FHAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)CCCn2ccnc2C)n1 19240162 NKVMWUURPONCTO-MRXNPFEDSA-N 374.535 3.898 0 40 FHAB Cc1cc(NC(=O)COCc2nc3ccc(C)cc3[nH]2)c2ncccc2c1 19654801 AGDWELZLQWKLAP-UHFFFAOYSA-N 360.417 3.883 0 40 FHAB CCC(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(OC)cc1 19694414 PQQVGNPLHDNDKL-SFHVURJKSA-N 368.481 3.682 0 40 FHAB O=C(COC1c2ccccc2-c2ccccc21)NCc1ccccc1C(=O)O 604220548 WXBVFIPOYGCKJQ-UHFFFAOYSA-N 373.408 3.788 0 40 FHAB O=S(=O)(N[C@@H](Cc1ccsc1)c1cccnc1)c1ccc(F)cc1 19338147 ASEZMESCETUGLK-KRWDZBQOSA-N 362.451 3.545 0 40 FHAB COc1ccc(C(=O)COC(=O)c2cc3c(s2)CCCC3)cc1OC 4581260 FDPSEJZMUOOJSU-UHFFFAOYSA-N 360.431 3.684 0 40 FHAB Cc1cc(=O)c(C(=O)NCCC2=CCCCC2)nn1-c1ccc(Cl)cc1 17335160 SLYINQIRPBZLRG-UHFFFAOYSA-N 371.868 3.815 0 40 FHAB Fc1ccccc1CN1CC[C@H](Oc2ccncc2Br)C1 1888860500 PBDFCSPISPSSFI-ZDUSSCGKSA-N 351.219 3.637 0 40 FHAB CSc1ncccc1C(=O)NC[C@@H](O)c1ccc(-c2cccs2)o1 1888941706 KMTNIDUOODYKLV-GFCCVEGCSA-N 360.460 3.588 0 40 FHAB Cc1cc(COC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)on1 29970690 CHDVDZMJUYNESP-UHFFFAOYSA-N 366.377 3.926 0 40 FHAB Cc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccccc3)s2)cc1 4392403 BJQSEEHLKRWHHU-UHFFFAOYSA-N 372.515 3.948 0 40 FHAB O=C(CSc1ccc(-c2cccs2)nn1)NCc1ccc(F)cc1 6858784 QDSLOGXDPMIZKH-UHFFFAOYSA-N 359.451 3.753 0 40 FHAB CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2cccc(Cl)c2)NC(=O)N1 17243038 WWMQBXQXTZYJIE-MRXNPFEDSA-N 359.788 3.746 0 40 FHAB CCN1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2ccc(C)cc2)CC1 22460104 FYSSMAPBTFFJTD-FXAWDEMLSA-N 371.550 3.554 0 40 FHAB O=S(=O)(Cc1ccccc1Cl)NCc1ccc(-c2ccoc2)o1 575611789 WYKIPBAWZQWLPV-UHFFFAOYSA-N 351.811 3.813 0 40 FHAB O=C(NC[C@H]1COc2ccccc21)c1ccc(Oc2nccs2)cc1 585150037 WWCGSVSFOCNITB-AWEZNQCLSA-N 352.415 3.841 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC[C@@H](O)c1cccs1 77114195 SPEOMDPEVDJRBZ-CQSZACIVSA-N 353.871 3.799 0 40 FHAB C[C@H](N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)NC1CCCCC1 40071800 GXMWIDMFQXOGOL-GJZGRUSLSA-N 357.498 3.523 0 40 FHAB C[C@@H](N[C@H](Cc1ccccc1)c1ccccc1)C(=O)NC(=O)NC(C)(C)C 40002633 ZZRCCBMZLYLCCO-VQIMIIECSA-N 367.493 3.573 0 40 FHAB C[C@@H](NC(=O)c1cc2ccccc2s1)c1cccc(NS(C)(=O)=O)c1 40090105 QNTRNEMPHKZMRY-GFCCVEGCSA-N 374.487 3.764 0 40 FHAB CNc1snc(C)c1C(=O)OCc1coc(-c2ccc(OC)cc2)n1 40050537 WNRNZQWFPQNHKG-UHFFFAOYSA-N 359.407 3.514 0 40 FHAB Cc1nc(-c2cccc(NS(=O)(=O)c3ccc(C(C)C)cc3)c2)n[nH]1 40152680 OWOYKZPHJZNCOI-UHFFFAOYSA-N 356.451 3.704 0 40 FHAB OCCNc1ncnc2c1oc1nc(C3CCCCC3)c3c(c12)CCC3 32094461 KFUJEROCARLOJW-UHFFFAOYSA-N 352.438 3.712 0 40 FHAB COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1OC1CCCC1 2518270 AKKAQYVHJCMMFA-UHFFFAOYSA-N 351.402 3.813 0 40 FHAB CCOc1cc2c(cc1CNC(=O)c1cc3c(s1)CCC3)O[C@H](C)C2 8271072 SKMZUKCGFMCTJN-GFCCVEGCSA-N 357.475 3.889 0 40 FHAB COc1ccccc1CNC(=O)Cc1csc(-c2ccccc2F)n1 11865432 AKZWSTXCRGELIQ-UHFFFAOYSA-N 356.422 3.817 0 40 FHAB CCCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1cccnc1 1362288 GAWOIZBRMTVDTJ-GDBMZVCRSA-N 373.526 3.537 0 40 FHAB CC(C)CCNC(=O)CN1C(=O)CC(c2ccccc2)=Nc2ccccc21 101354217 LBRQDTJUMVGSQB-UHFFFAOYSA-N 363.461 3.706 0 40 FHAB COc1ccc(C2=Cc3cc(OC)c(OC)cc3[C@H](OC)O2)cc1OC 2097827 OEQIXJWZYGZSCY-HXUWFJFHSA-N 358.390 3.894 0 40 FHAB biogenic c1ccc(CCNCc2ccc(Oc3nnnn3-c3ccccc3)cc2)cc1 32616946 NNUOOCOODMJCRQ-UHFFFAOYSA-N 371.444 3.787 0 40 FHAB CCN(CC)C(=O)c1sc2nc3cc(OC)c(OC)cc3cc2c1N 4848861 DFJFLNFZARTDSI-UHFFFAOYSA-N 359.451 3.531 0 40 FHAB CC(C)C[C@@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1 32795621 JXENQXCFQAQRFF-RTBURBONSA-N 352.482 3.597 0 40 FHAB CCC(=O)Nc1cccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1 32764617 ISKFRRFQTJRMAB-UHFFFAOYSA-N 374.444 3.962 0 40 FHAB Cc1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)s1 32717117 LSVUNFKITPRBDR-UHFFFAOYSA-N 370.927 3.529 0 40 FHAB C[C@@H](OC(=O)Cc1cccs1)C(=O)Nc1ncc(Cl)cc1Cl 7194474 KHJPYBGEYRFUCM-MRVPVSSYSA-N 359.234 3.563 0 40 FHAB COc1ccc(-c2nnc(NC(=O)CSc3ccccc3)s2)cc1 7347867 DBZAPNYKPQPOSG-UHFFFAOYSA-N 357.460 3.945 0 40 FHAB S=C(NCc1ccc2c(c1)OCO2)N[C@@H]1CCSc2ccccc21 7735185 ANUAAWYRABYTAG-CQSZACIVSA-N 358.488 3.617 0 40 FHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Oc2ccc(C=O)cc2)CC1=O 7929334 KMWDWTVLQYXBHK-SFHVURJKSA-N 365.429 3.582 0 40 FHAB CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H]2C)nc1C 32736052 FCJXWJZBLGINOG-SWLSCSKDSA-N 358.463 3.817 0 40 FHAB CCc1cccc(CC)c1NC(=O)c1cccc(NS(C)(=O)=O)c1C 10331908 IUFVYGNTDIDRCL-UHFFFAOYSA-N 360.479 3.744 0 40 FHAB C[C@H](NC(=O)Cn1nc(COc2ccccc2)oc1=S)c1ccccc1 8221587 WUKWQSZCUGWQRH-AWEZNQCLSA-N 369.446 3.662 0 40 FHAB COc1ccc(CN(Cn2c(=O)oc3ccccc32)CC(F)(F)F)cc1 32902971 JVFOJMOICSOIDY-UHFFFAOYSA-N 366.339 3.625 0 40 FHAB COc1cc(/C=C/C(=O)OCc2nc(C(C)C)no2)ccc1OC(F)F 29135039 JHHGNOXGEQWJMI-FNORWQNLSA-N 368.336 3.560 0 40 FHAB Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N(C)Cc1ccsc1 22694497 RLZJHTPGMSFXKB-UHFFFAOYSA-N 356.495 3.546 0 40 FHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(F)cc2)NC(=O)N1 909723 HMBXMUXPARSITD-SFHVURJKSA-N 353.397 3.709 0 40 FHAB CCCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1cccc(C)c1)C3 20796129 YKEHKTPHMOCRNA-AWEZNQCLSA-N 352.463 3.848 0 40 FHAB Cc1cc(C)c(OCC(=O)Nc2cc(N)ccc2C)c(Br)c1 57340381 LYRQBHCDLXJKBW-UHFFFAOYSA-N 363.255 3.974 0 40 FHAB Cc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)o1 23871282 RHXFBVNUUILNDS-JTQLQIEISA-N 356.205 3.929 0 40 FHAB CN(Cc1cnn(C)c1)C(=O)NCCC(c1ccccc1)c1ccccc1 24570549 WFRLHVCTHCEEMD-UHFFFAOYSA-N 362.477 3.784 0 40 FHAB C[C@@H](NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 106071834 DKMWYGWJLCFGPZ-YEWFCNIMSA-N 355.482 3.869 0 40 FHAB COc1ccc(NC(=O)C2=C(C)N(Cc3ccccc3)C(=O)CC2)cc1 1389191 UDCYRSZZZXQDBQ-UHFFFAOYSA-N 350.418 3.730 0 40 FHAB COc1ccc(C(=O)O)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 20143965 MATWQGSQRXUAIU-UHFFFAOYSA-N 357.406 3.708 0 40 FHAB Cc1ccnc(-n2c(SCC(F)(F)F)nc3ccccc3c2=O)c1 12538345 QZEDVELKALOYGX-UHFFFAOYSA-N 351.353 3.744 0 40 FHAB COc1ccc(-c2nnc(NC(=O)c3cccc(C)c3)s2)c(OC)c1 1516626 ISHBLKCJHGJHLE-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB Cc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(N)=O)cc1 58421377 FYRDTALMGMAILN-VBKFSLOCSA-N 372.424 3.672 0 40 FHAB O=C(Cc1cnn(-c2ccccc2)c1)OCc1coc(-c2cccs2)n1 25644487 XXWGIVPYABZTDY-UHFFFAOYSA-N 365.414 3.875 0 40 FHAB CC(=O)NC[C@H]1CCCN(C(=O)NCC2CCC(c3ccccc3)CC2)C1 108580692 WPTCQRUIQHLYHE-OBXNSHGQSA-N 371.525 3.518 0 40 FHAB CCOc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)ccc1OC 12601758 BNOCPGUVARULGJ-QGZVFWFLSA-N 365.433 3.948 0 40 FHAB CC[C@@H](C)n1c(SCC(=O)Nc2cc(C)on2)nnc1-c1ccccc1 58201916 GTLKZVTVQKIYQX-GFCCVEGCSA-N 371.466 3.943 0 40 FHAB CCOc1ccc(-c2nonc2NC(=O)c2cccc(OC)c2)cc1C 27746766 IBOFXMZMGKQXMQ-UHFFFAOYSA-N 353.378 3.705 0 40 FHAB C[C@@H]1CCCCN1C(=O)CSc1nnc(Nc2ccc(F)cc2)s1 10345123 GJYJYDIAJDQAJI-LLVKDONJSA-N 366.487 3.914 0 40 FHAB CC(C)(C)[C@H]1CCc2c(sc3nc(NN)n(-c4ccccc4)c(=O)c23)C1 2279514 LFYGGOABDXCZAR-LBPRGKRZSA-N 368.506 3.884 0 40 FHAB CCCCCn1c(=O)c(C(=O)Nc2ccccn2)c(O)c2ccccc21 2275084 KDSLJSTWFGARIE-UHFFFAOYSA-N 351.406 3.545 0 40 FHAB Cc1cc2ccccc2n1CC(=O)O[C@@H](C)C(=O)Nc1cccnc1Cl 10622309 MMZHBBAYPDJKJR-ZDUSSCGKSA-N 371.824 3.569 0 40 FHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(OC(F)F)cc1 10677251 DHBTWOKHCMBBLU-UHFFFAOYSA-N 357.360 3.746 0 40 FHAB CCOCc1ccccc1CNC(=O)NCCc1cc(C)ccc1OC 28348297 HXUFRJVRBOKJHY-UHFFFAOYSA-N 356.466 3.582 0 40 FHAB CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccccc1F 2328810 DKRWCSAHDCYYDL-UHFFFAOYSA-N 374.416 3.974 0 40 FHAB O=C(COC(=O)c1ccc(-c2ccccc2)cc1)NCc1cccs1 3372914 LJVYHBHDDKYCCQ-UHFFFAOYSA-N 351.427 3.888 0 40 FHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1c1ccc(F)cc1 12764429 AOHHFADBZIEDSG-KXBFYZLASA-N 370.424 3.804 0 40 FHAB Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)nc1 12788833 UUINTUJZXJXYAN-UHFFFAOYSA-N 373.459 3.505 0 40 FHAB CC(=O)NCC1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 48352674 PFXRCBNYLCMBJG-UHFFFAOYSA-N 350.871 3.543 0 40 FHAB Cc1ccc(OCCNC(=O)c2ccc(COc3ccccc3)o2)cc1 12870711 RQTABRMHJYLKCD-UHFFFAOYSA-N 351.402 3.976 0 40 FHAB CCC[C@@H](NC(=O)Cn1c(S)nnc1-c1cccs1)c1ccccc1 12861540 RQRAEAPAPSFDMV-CQSZACIVSA-N 372.519 3.953 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)COc1ccc2ccccc2c1 3459289 ZNMRGISMQWKKBP-UHFFFAOYSA-N 364.401 3.824 0 40 FHAB COc1cc(CN(C)[C@H](C)C(=O)Nc2ccccc2)ccc1OC(F)F 3541017 VNPZQMNQPVUOAB-CYBMUJFWSA-N 364.392 3.756 0 40 FHAB Cc1cc(NC(=O)C2CC2)sc1C(=O)N[C@@H]1CCOc2ccccc21 12906675 FXKQXWNGCLZMIC-CQSZACIVSA-N 356.447 3.659 0 40 FHAB COC(=O)c1ccc(CNC(=O)c2sc(-c3ccsc3)nc2C)cc1 12975658 ZMHCIGRCQMAAAL-UHFFFAOYSA-N 372.471 3.897 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)CN[C@@H](C)c1cccc(Cl)c1 13040181 UIXODTADPSKQRM-ZDUSSCGKSA-N 360.841 3.806 0 40 FHAB Cc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c(=O)[nH]1 13000013 WFCZRPCWECBKAI-SECBINFHSA-N 368.264 3.504 0 40 FHAB C[C@H](Sc1nc(-c2ccccc2)cn1N)C(=O)NCCC1=CCCCC1 4251900 SYIPOAARJVBIEE-HNNXBMFYSA-N 370.522 3.751 0 40 FHAB Cc1cccc(OCCCC(=O)OCC(=O)Nc2cc(F)ccc2F)c1 4244514 IIQARDVBZWSGDR-UHFFFAOYSA-N 363.360 3.614 0 40 FHAB CCCCN(C(=O)CSc1nc2sccc2c(=O)[nH]1)[C@H](C)CC 14022110 BEBFMYMEEAXVCE-LLVKDONJSA-N 353.513 3.504 0 40 FHAB CC(C)Cc1nc2c3ccccc3n(Cc3ccc(Cl)cc3)c(=O)n2n1 65534998 CLPXLEUOAOLBNY-UHFFFAOYSA-N 366.852 3.944 0 40 FHAB C[C@@H](Sc1nnc2sc3ccccc3n12)C(=O)NCc1cccs1 8718829 RXJBYLQKNJILLG-SNVBAGLBSA-N 374.516 3.803 0 40 FHAB CC(C)c1cccc(C(C)C)c1NC(=O)CCCN1C(=O)NC(C)(C)C1=O 14125188 PDAXSDOJFRCDNS-UHFFFAOYSA-N 373.497 3.983 0 40 FHAB O=C(N[C@H]1CCSc2c(F)cccc21)c1cncc(Br)c1 14197031 PGHPQGHYPCHACD-ZDUSSCGKSA-N 367.243 3.950 0 40 FHAB COc1cc(C(=O)Nc2ccc(C)c(F)c2)cc(Br)c1O 14124894 BGRQEMCFLUFRKV-UHFFFAOYSA-N 354.175 3.863 0 40 FHAB O=C(c1ccc2ncsc2c1)N1CCC(C(=O)N2CCCCCC2)CC1 14237725 FHONUBVRBWAOAQ-UHFFFAOYSA-N 371.506 3.551 0 40 FHAB COc1ccccc1CN1C(=S)NC2(CCCCC2)[C@H]2CCCC[C@@]21O 5515093 LUHWLWQMBLLLGE-WIYYLYMNSA-N 374.550 3.967 0 40 FHAB CCOc1cc(NC(=O)c2ccc(F)cc2F)c(C(=O)O)cc1OCC 6649911 CJSZYKDOGPGXQP-UHFFFAOYSA-N 365.332 3.713 0 40 FHAB CC(=O)Nc1ccc2c(COC(=O)c3ccc(C)c(F)c3)cc(=O)oc2c1 14672359 PEJWSADSPSONIR-UHFFFAOYSA-N 369.348 3.556 0 40 FHAB c1cnc2nc(-c3ccsc3)c(Nc3ccc4c(c3)OCCO4)n2c1 4734274 OWLNHOAHVWQHDG-UHFFFAOYSA-N 350.403 3.973 0 40 FHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(C(F)(F)F)cc1 5704776 PAEXCNNLKSGVBZ-HNNXBMFYSA-N 352.356 3.865 0 40 FHAB O=C1CN(C(=O)/C=C/C2=Cc3cc(Cl)ccc3OC2)c2ccccc2N1 15717593 XQDGIUGHTJEMMG-VMPITWQZSA-N 366.804 3.657 0 40 FHAB CCc1ccc(-c2nc(C)c(C(=O)O[C@H](C)C(=O)N3CCCC3)s2)cc1 7722379 YPRJTOPPOSWQSJ-CQSZACIVSA-N 372.490 3.849 0 40 FHAB Cc1cccc(/C=C2\SC(=O)N(CCC(=O)Nc3nccs3)C2=O)c1 7783849 KCOJQDIEVDISCW-RAXLEYEMSA-N 373.459 3.517 0 40 FHAB Clc1cc(CSc2nnnn2C2CCCC2)cc2c1OCCCO2 8072093 LMOLFZWQQQRCLJ-UHFFFAOYSA-N 366.874 3.895 0 40 FHAB Cc1csc(=O)n1CCSc1nnc(Nc2ccccc2F)s1 9365300 OPMMTXXJDXFOER-UHFFFAOYSA-N 368.484 3.745 0 40 FHAB C[C@@H]1C[C@H](C(=O)Nc2cccc(NC(=O)c3cccs3)c2)CCC1=O 89920223 AJXRRUDVVZFUQN-CHWSQXEVSA-N 356.447 3.944 0 40 FHAB COc1ccc(S(=O)(=O)Nc2c(C)cnn2-c2ccccc2)c(C)c1C 97013518 WHDISKNFYQLKDL-UHFFFAOYSA-N 371.462 3.607 0 40 FHAB Cc1ccc(C(C)C)c(OCC(=O)NC[C@H](O)c2ccc(F)cc2F)c1 78355117 UOVABSJUUNDIPX-SFHVURJKSA-N 363.404 3.625 0 40 FHAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)NC1CCCCCC1)CC3 95949750 SZHLZYMFNQHCNB-UHFFFAOYSA-N 369.465 3.745 0 40 FHAB CC(C)C[C@@H](C(=O)Nc1cccc(NC(=O)C(C)C)c1)N1CCCCC1=O 79069383 DDUWRVAQCFFIND-SFHVURJKSA-N 373.497 3.647 0 40 FHAB CC(C)n1cc(CCC(=O)NCc2nnc3ccccn23)c2ccccc21 79502157 LOXBRDISOPECQU-UHFFFAOYSA-N 361.449 3.514 0 40 FHAB Cn1c(=O)sc2cc(S(=O)(=O)Nc3ccc4ccccc4c3)ccc21 68246990 UPSFKGKMZTXRTM-UHFFFAOYSA-N 370.455 3.554 0 40 FHAB Cn1c(NC(=O)COc2ccc(Cl)cc2Cl)nc2ccccc21 27923792 CSHVZINPJDEUAG-UHFFFAOYSA-N 350.205 3.898 0 40 FHAB CSc1ncc(CN2C[C@@H]3CCC[C@@](O)(c4ccc(C)cc4)[C@H]3C2)cn1 72340459 KNBCWMOYTUBDJR-HFSMHLIXSA-N 369.534 3.627 0 40 FHAB COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)NC3=O)o2)c1 408812840 OBRWPPOZXGTORK-QPEQYQDCSA-N 363.778 3.711 0 40 FHAB Cc1cccc(Cl)c1NC1=NCCN1C(=O)CC(=O)c1ccccc1 31949893 HGWDLBQZWDYHPG-UHFFFAOYSA-N 355.825 3.532 0 40 FHAB COc1ccccc1Cc1noc(C2CN(Cc3ccc(Cl)cc3)C2)n1 75156532 NXGQTWIWNIWELF-UHFFFAOYSA-N 369.852 3.922 0 40 FHAB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S 35648955 SBBVZUZRASCCJH-IGEMTJHASA-N 373.858 3.790 0 40 FHAB O=C(Cc1ccccc1F)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 32817138 KLOQXERTUWXCPL-UHFFFAOYSA-N 361.438 3.723 0 40 FHAB COc1cccc(Nc2c(-c3ccc(O)c(OC)c3)nc3cnccn23)c1 35622047 KWFFEYFHTVVREG-UHFFFAOYSA-N 362.389 3.863 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(SC(F)F)cc1 36747797 QZKMAMDGENWPQG-CQSZACIVSA-N 368.405 3.987 0 40 FHAB Cc1ccccc1-c1noc(CSCC(=O)N[C@H]2CCCC[C@H]2C)n1 45025148 AQVPEAOWIIWOSJ-ZBFHGGJFSA-N 359.495 3.973 0 40 FHAB O=C([C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)N1CCCCC1 40073293 QXEFAAWSUWDWCR-HNNXBMFYSA-N 355.265 3.611 0 40 FHAB Cc1cc(OCC(=O)Nc2cccc(Cl)c2)nc(N2CCCCCC2)n1 44170144 DJRAOMLRNUEDNC-UHFFFAOYSA-N 374.872 3.836 0 40 FHAB CCC(CC)NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(C)c2)c1 224143572 JARZLVXUHBBCTN-UHFFFAOYSA-N 374.506 3.739 0 40 FHAB COc1ccc(S(=O)(=O)NCCCc2ccccc2Cl)c(C)c1C 224136028 YSYPQPCTZBZJEA-UHFFFAOYSA-N 367.898 3.877 0 40 FHAB CCCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCc1ccc(C)cc1 222752443 YWSMEYVQFSSBHG-GOSISDBHSA-N 352.478 3.829 0 40 FHAB COc1cc(C)c(S(=O)(=O)NCc2cccc3ccccc23)cc1C 222896994 VANSMNLZFWAPAL-UHFFFAOYSA-N 355.459 3.944 0 40 FHAB CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2cccs2)NC(=S)N1C 84677733 ZBEWJJOUUKKUFA-HNNXBMFYSA-N 361.467 3.661 0 40 FHAB COc1ccccc1CN1CCC[C@H]1c1nc(-c2ccc(F)cn2)no1 49155387 HTACFNVFLFOVNZ-INIZCTEOSA-N 354.385 3.616 0 40 FHAB biogenic,in-vitro C[C@H]1C[C@H](C)CN(c2cc(Cl)nc(NC(=S)NC(C)(C)C)n2)C1 225896795 AUGZRGOYQREUMK-QWRGUYRKSA-N 355.939 3.697 0 40 FHAB COc1ccc(-c2ccnc3nc(-c4ccccc4OC)nn23)c(F)c1 96345074 CGNLTFLULKNGKA-UHFFFAOYSA-N 350.353 3.615 0 40 FHAB Cc1cccc(O[C@H]2CCN(C(=O)c3cc(Br)cs3)C2)n1 238872522 NGFSFRKVJLOIIB-LBPRGKRZSA-N 367.268 3.508 0 40 FHAB Cc1cccc(CCN(CC(=O)O)C2CCN(c3ccccc3)CC2)c1 257278141 OAZPCAMHGYMYGQ-UHFFFAOYSA-N 352.478 3.593 0 40 FHAB O=C(c1ccc2ccccc2n1)N1CCCC[C@H]1c1ccn2nccc2n1 257211961 CBGFWXSPZUOZJW-IBGZPJMESA-N 357.417 3.645 0 40 FHAB CCOC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2cc(Cl)ccc2N1 253596249 OZSYVNDSCSKJEF-JKTDROMQSA-N 362.857 3.581 0 40 FHAB CCc1nnc(Nc2cccc([C@@H]3CCCN(C(=O)C(C)C)C3)n2)s1 257302416 SCWOVJOBGZECGQ-CYBMUJFWSA-N 359.499 3.601 0 40 FHAB O=C(CCc1ccccc1)N1CCCC[C@@H]1c1nnc(-c2ccncc2)o1 257273918 NIUBKTGIMBTIBJ-GOSISDBHSA-N 362.433 3.818 0 40 FHAB Cc1cccnc1[C@H](NC(=O)N1CCOC[C@@H]1c1ccccc1)C(C)C 363291842 RMPNOXBSYKIQLO-RTBURBONSA-N 353.466 3.870 0 40 FHAB Cc1ccccc1[C@H]1CN(C(=O)c2ccc(-c3ccccc3)nc2O)CCN1 1631308200 JPQZARZIBMFZAH-OAQYLSRUSA-N 373.456 3.549 0 40 FHAB Cc1nc(-c2ccco2)sc1CNC(=O)c1cc2ccccc2oc1=O 90593374 SWPZHLPOBRDHBK-UHFFFAOYSA-N 366.398 3.748 0 40 FHAB CCOC(=O)c1cc(Br)c2cc(Br)ccc2n1 685937000 GHSGHXZPXDPMMF-UHFFFAOYSA-N 359.017 3.937 0 40 FHAB Cc1nc2cc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)ccc2n1-c1ccccc1 102938961 OJQHCTGZCDSFSS-PBFVBANWSA-N 369.424 3.645 0 40 FHAB COc1cc(OC)cc(OCC(=O)Nc2ccccc2C(F)(F)F)c1 5497225 PDJUXKDFPURGPA-UHFFFAOYSA-N 355.312 3.740 0 40 FHAB CCCCCCC1=NN(C(=O)c2ccccc2O)[C@](O)(C(F)(F)F)C1 5792307 KEJDHLBDZFUUMR-MRXNPFEDSA-N 358.360 3.815 0 40 FHAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccco4)[C@@H]3C2=O)cc1 11582416 NWAYJQLHBBIFSC-UFYCRDLUSA-N 374.396 3.639 0 40 FHAB O=C(Cc1ccccc1Cl)Nc1nc2cc3c(cc2s1)OCCO3 11751262 LAZOTIYZHYDIIG-UHFFFAOYSA-N 360.822 3.902 0 40 FHAB O=C(NC[C@H]1CCCO1)c1cccnc1Nc1cccc(C(F)(F)F)c1 12144489 PNRIXUQUYCEBOT-CQSZACIVSA-N 365.355 3.753 0 40 FHAB Cc1ccc(NC(=O)N2CCC(NC(=O)c3cccc(F)c3)CC2)cc1 15935946 QYHXZAXPTLMUEX-UHFFFAOYSA-N 355.413 3.560 0 40 FHAB COc1ccc2[nH]c(=O)c(-c3noc(-c4ccccc4Cl)n3)cc2c1 15999223 GAPVTFHQFJPGQZ-UHFFFAOYSA-N 353.765 3.907 0 40 FHAB O=C(Nc1ccccc1)C1CCN(C(=O)NCCCc2ccccc2)CC1 17116927 PPDDMGVUDVAYCQ-UHFFFAOYSA-N 365.477 3.680 0 40 FHAB Cc1ccc(C)c(NC(=O)CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)c1 17305824 GVOXPHBUVGZDKA-QGZVFWFLSA-N 363.465 3.516 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CN(C[C@@H](O)c1cc(C)ccc1C)CC3 19132157 SVCONGBOIOFEPC-JOCHJYFZSA-N 350.462 3.885 0 40 FHAB FC(F)(F)c1cccc(OC[C@H]2[C@@H]3CC[C@@H](C3)N2Cc2ncc[nH]2)c1 19330976 CIKIFAOMCMDUHU-INWMFGNUSA-N 351.372 3.860 0 40 FHAB CCc1nccn1C[C@@H](C)C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 19523531 SSWSSPYAVRPXER-SJORKVTESA-N 373.472 3.538 0 40 FHAB COc1ccc(CN2CCC(c3cc4ncccc4[nH]3)CC2)cc1OC 19560885 ZTHNOYGMWYQYBT-UHFFFAOYSA-N 351.450 3.960 0 40 FHAB Cc1ncsc1-c1nnc([C@@H]2CCCN2C(=O)CCc2ccccc2)o1 19562902 NCXVOINDFVQIMN-HNNXBMFYSA-N 368.462 3.798 0 40 FHAB COc1cc(C)c(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1C(C)C 8477221 PXQBJUDTHIZGMS-GZTJUZNOSA-N 370.449 3.531 0 40 FHAB O=C(Cc1ccccc1Cl)NCC1CCN(C2CCSCC2)CC1 239593087 DOMMNCKNCQUEFF-UHFFFAOYSA-N 366.958 3.606 0 40 FHAB FC(F)(F)c1cc([C@H]2CCCN(Cc3cccs3)C2)nc2ncnn12 19343440 JWUABOMBVKEDFO-NSHDSACASA-N 367.400 3.584 0 40 FHAB C[C@@]1(C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)CC1(Cl)Cl 3510347 JBXUDHSHNCKVNW-KRWDZBQOSA-N 367.228 3.909 0 40 FHAB C[S@@](=O)c1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 27379499 NZDCLMXVRSRHHE-WZQKQDCOSA-N 368.458 3.585 0 40 FHAB O=C(NN1C(=O)c2ccccc2N[C@H]1c1ccccc1F)c1ccccc1 1438636 LUUPZMPAGPGGGT-LJQANCHMSA-N 361.376 3.737 0 40 FHAB Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3ccccc3Cl)cc12 3911807 GLJKDKYKVTXUJL-UHFFFAOYSA-N 354.837 3.771 0 40 FHAB COc1ccc(CC(=O)N2CCN=C2SCc2cccc(F)c2)cc1 4119902 WQFHSWFITBIROA-UHFFFAOYSA-N 358.438 3.508 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCC(C)C)cc1 5017255 BMRVWEURJKBMIM-UHFFFAOYSA-N 370.478 3.807 0 40 FHAB Cc1ccc(N2C[C@@H](CNC(=O)Cc3cccc4ccccc34)OC2=O)cc1 9069372 QGGPQSAVCHCRPC-HXUWFJFHSA-N 374.440 3.832 0 40 FHAB Cc1cc(C(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)on1 12422286 RVVXFVVJMKPPGP-UHFFFAOYSA-N 368.393 3.974 0 40 FHAB Cc1cc(CN2CCC(COc3cc(-c4ccccc4)ncn3)CC2)no1 1775970500 OPXMVSGBQDSBSG-UHFFFAOYSA-N 364.449 3.731 0 40 FHAB O=C(c1cc(Br)cs1)N1CCOc2ccc(F)cc2C1 470579051 RLELGFAZXNORMP-UHFFFAOYSA-N 356.216 3.685 0 40 FHAB COc1ccc(C)cc1CC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C 40157394 FQDKIRLESPVYQW-FQEVSTJZSA-N 351.450 3.936 0 40 FHAB COc1ccc(C2=CCN(C(=O)c3cc4ccccc4oc3=O)CC2)cc1 40119704 JFXKPIZLVNNMDM-UHFFFAOYSA-N 361.397 3.731 0 40 FHAB CN(Cc1ccco1)C(=O)CSc1nc2ccccc2n1C(F)F 31781929 YTNDYFNYXSIKDC-UHFFFAOYSA-N 351.378 3.775 0 40 FHAB Cc1c(C(=O)N[C@@H](C)c2ccc(F)cc2)nnn1-c1cccc(Cl)c1 51317665 DULFBFVWJUAZEJ-NSHDSACASA-N 358.804 3.859 0 40 FHAB NC(=O)[C@H](Sc1nnc(Nc2ccccc2)s1)c1ccc(F)cc1 11747236 FWVQEXMNXQCEHI-CYBMUJFWSA-N 360.439 3.740 0 40 FHAB Cc1ccc2[nH]c(C)c(CC(=O)OCc3cn4c(C)cc(C)nc4n3)c2c1 46009982 ARUYJQCXHYFWQJ-UHFFFAOYSA-N 362.433 3.730 0 40 FHAB CCCCn1c(SCC(=O)NC(C)(C)C)nnc1-c1cccs1 4161511 JRCAPFDUNVDSFG-UHFFFAOYSA-N 352.529 3.814 0 40 FHAB O=C(CCCCCCCCC(=O)OC[C@H]1CCCO1)OC[C@H]1CCCO1 4430148 RHWOXBBBVFKHAN-QZTJIDSGSA-N 370.486 3.552 0 40 FHAB O=C(NCCc1ccccc1F)N1CC=C(c2c[nH]c3ncccc23)CC1 32794875 SDXIBRSVNRTQFM-UHFFFAOYSA-N 364.424 3.743 0 40 FHAB COc1ccc([C@H](C)NC[C@H](O)CO[C@@H]2CCCc3ccccc32)cc1F 32751161 KPCJFBUWSHCIGF-UQASEVPWSA-N 373.468 3.940 0 40 FHAB CCSc1nc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2s1 4935358 RYRKPJPYEFPGCM-OWLDWWDNSA-N 356.472 3.720 0 40 FHAB COc1cc(C(=O)Nc2cc(-c3ccc(C)cc3)no2)cc(OC)c1OC 9194897 DRXAJWZDHRKOAV-UHFFFAOYSA-N 368.389 3.928 0 40 FHAB CCCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1 7262215 MDJBAQNHEBEIAC-UHFFFAOYSA-N 355.417 3.803 0 40 FHAB COc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1C(C)C 7361097 OMXHPURBKQZUGD-UHFFFAOYSA-N 362.451 3.578 0 40 FHAB Cc1ccccc1OCC(=O)NCc1ccc(CN2CCCCC2)cc1 7447739 HHNKLTLUIROHPL-UHFFFAOYSA-N 352.478 3.676 0 40 FHAB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNC3CCCCC3)o2)c1 7540529 QMMPOFVRMILYKF-UHFFFAOYSA-N 371.433 3.942 0 40 FHAB Cc1cc(C(C)(C)C)cc(C)c1COC(=O)c1nc2nccc(C)n2n1 7562937 LQUFYWXBJBTDIZ-UHFFFAOYSA-N 352.438 3.704 0 40 FHAB O=C(NCc1ccc(O)cc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 41325268 UWQGXFQXEPVPKE-UHFFFAOYSA-N 360.369 3.547 0 40 FHAB CC(C)C(=O)NCCNc1ncnc2cc(-c3ccc(F)cc3)sc12 33010814 MVPHRTKCOBWRCM-UHFFFAOYSA-N 358.442 3.682 0 40 FHAB Cc1ccc(OCn2ccc(C(=O)Nc3cccnc3Cl)n2)c(C)c1 2796216 XCGJKKOJTCRXPQ-UHFFFAOYSA-N 356.813 3.837 0 40 FHAB Clc1ccc(OCc2ccccc2)c(CNCCCN2CCOCC2)c1 22074110 ZHAWFJPSQAZOIF-UHFFFAOYSA-N 374.912 3.731 0 40 FHAB Cc1nnc([C@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)s1 23140530 MALCPDRBEFYMFS-LBPRGKRZSA-N 355.385 3.885 0 40 FHAB CN(CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)C1CCCC1 53436572 WRFGSSBDWZSGOQ-INIZCTEOSA-N 357.479 3.893 0 40 FHAB NC(=O)CSc1nnc(SCc2ccc(Cl)c(Cl)c2)s1 22533864 GEXFISDSXUONGQ-UHFFFAOYSA-N 366.320 3.715 0 40 FHAB CCOc1ccc(OCCN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)cc1 22704193 VZDUZVCTQWINSC-MRXNPFEDSA-N 368.433 3.630 0 40 FHAB CCCN1C(=O)c2ccccc2N[C@@H]1C1=Cc2ccc(OC)cc2OC1 22815359 QIGLAAJBXJBROH-FQEVSTJZSA-N 350.418 3.775 0 40 FHAB CC[C@H](C)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 821370 WHJSBLHNPPKVKH-YCRPNKLZSA-N 368.502 3.989 0 40 FHAB C[C@H]1CCc2c(sc3nnn(Cc4c(F)cccc4Cl)c(=O)c23)C1 807700 YWVLAQHEGIKAFI-VIFPVBQESA-N 363.845 3.819 0 40 FHAB CN(c1ccc(OCCCOc2ccc(Cl)cc2)cc1)S(C)(=O)=O 47362861 UNCNTCPPEAJJFE-UHFFFAOYSA-N 369.870 3.584 0 40 FHAB O=C(c1ccc(I)cc1)N1CCC[C@@H]1c1ccc[nH]1 42375575 ZDRJUKDWPRTRKH-CQSZACIVSA-N 366.202 3.597 0 40 FHAB O=C(COc1cc(Cl)c(Cl)cc1Cl)NCCc1ccccn1 12476423 UZQWTIKXUQVCOB-UHFFFAOYSA-N 359.640 3.780 0 40 FHAB O=C(NCCc1cccs1)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 47728018 SQKVIHIEEKAPGL-UHFFFAOYSA-N 363.870 3.658 0 40 FHAB COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C 23923728 QBHFQWNXAGCIAH-UZLBHIALSA-N 368.477 3.635 0 40 FHAB C=C1c2ccccc2N=C(S[C@@H](C)C(=O)/N=c2\cc[nH]n2C(C)C)N1C 105422780 KJMMEVSLUALWJT-KTNMXJNISA-N 369.494 3.550 0 40 FHAB CCOc1ccc2c(c1)O[C@@](c1ccc(OC)cc1)(C(F)(F)F)NC2=O 3180045 UGUBRTLAIXQRLT-KRWDZBQOSA-N 367.323 3.631 0 40 FHAB C[C@@H](C(=O)OCC(=O)OCc1ccccc1)c1ccc2cc(O)ccc2c1 114079322 IKVQOEKJVOTZAE-OAHLLOKOSA-N 364.397 3.936 0 40 FHAB Cc1nc2cc(NC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)ccc2o1 25358547 TVDUUDNTXPMSGF-SFHVURJKSA-N 365.389 3.506 0 40 FHAB CC(=O)Nc1cccc2c1CCN(C(=O)N[C@@H](C)c1ccccc1F)C2 56365545 RWMJBWMTNWLKMG-ZDUSSCGKSA-N 355.413 3.613 0 40 FHAB O[C@@]1(c2ccc(Cl)cc2)C[N+](CCc2ccccc2)=C2SCCCN21 3227386 MLNPUTPUCHBEEC-HXUWFJFHSA-N 373.929 3.549 0 40 FHAB O=C(NCC1(c2ccccc2)CC1)C1(c2cccc(F)c2)CCOCC1 57195051 QEBKBOBWIDLZJK-UHFFFAOYSA-N 353.437 3.722 0 40 FHAB Cc1cc(C)c(NC(=O)COC(=O)CCC(=O)c2cccs2)c(C)c1 3264692 WIKDXJXLPPJIEQ-UHFFFAOYSA-N 359.447 3.818 0 40 FHAB COc1cc2ccccc2cc1C(=O)NCCCN1C[C@@H](C)C[C@H](C)C1 20460146 NCXURNMKMGPOJD-IRXDYDNUSA-N 354.494 3.946 0 40 FHAB O=C(Nc1ccc(N2CCCC2)nc1)Nc1cnn(Cc2ccccc2)c1 48079681 VDHKUIHTDPKYDM-UHFFFAOYSA-N 362.437 3.571 0 40 FHAB NC(=O)[C@H](Sc1nccn1-c1cccc(Cl)c1)c1ccc(F)cc1 10271485 VBKMXCZXDMMLMK-OAHLLOKOSA-N 361.829 3.984 0 40 FHAB CCOc1cc(C(=O)NCC2(c3ccccc3)CCOCC2)ccc1OC 27248982 KQPWWTHIJLAYDX-UHFFFAOYSA-N 369.461 3.572 0 40 FHAB COc1ccccc1OCC(=O)Nc1cc(Cl)ccc1N1CCCC1 3354866 ZMMDHPHDYYBNFX-UHFFFAOYSA-N 360.841 3.966 0 40 FHAB Cc1ccnc(NC(=O)C2CCN(Cc3ncc(C(C)(C)C)o3)CC2)c1 58379844 INDHUBNRHWSFMY-UHFFFAOYSA-N 356.470 3.526 0 40 FHAB COc1ccccc1C(=O)COC(=O)c1ccc(OC(F)(F)F)cc1 3363206 PJEWLCKJMFYIGW-UHFFFAOYSA-N 354.280 3.634 0 40 FHAB CSc1nc2nc3c(cc2c(=O)n1-c1ccccc1C)COC(C)(C)C3 2268817 MMNMEYWUIYBJJM-UHFFFAOYSA-N 367.474 3.662 0 40 FHAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2nccs2)CC1 10673897 JZENXHVMQASTRZ-LBPRGKRZSA-N 367.927 3.626 0 40 FHAB CCC[C@H](C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)c1ccccc1 12786367 YCAQGFKMPKBOIB-SFHVURJKSA-N 369.417 3.782 0 40 FHAB CC(=O)c1c(C)nc(O)nc1SCc1cc(Cl)cc2c1OCOC2 10915536 RFLKFGDMJNJJPV-UHFFFAOYSA-N 366.826 3.505 0 40 FHAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc2c(c1)OCCO2 28648215 CTAQKHQNJHABSF-UHFFFAOYSA-N 351.402 3.548 0 40 FHAB COC(=O)c1ccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)s1 12769052 SULYCIGHEJQGRC-UHFFFAOYSA-N 355.419 3.590 0 40 FHAB O=C(c1ccco1)N1CCC[C@@H](C(=O)N2CCC[C@H]2c2ccsc2)C1 48251654 XYCHXJMAHZOUOD-ZBFHGGJFSA-N 358.463 3.557 0 40 FHAB Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3ccc(OC(F)F)cc3)cc2)n1 48354878 JEQMXSHEQUJYEQ-UHFFFAOYSA-N 371.343 3.599 0 40 FHAB COC(=O)c1cccc(NC(=O)NCc2ccccc2CN(C)C(C)C)c1 48345250 YAIMLXDHQYWGET-UHFFFAOYSA-N 369.465 3.635 0 40 FHAB Cc1ccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)cc1C 12819751 DZYHQVQRSJESIE-GASCZTMLSA-N 359.495 3.621 0 40 FHAB CCOc1cc2c(c3[nH]c(C(=O)N(C)Cc4cscn4)cc13)O[C@H](C)C2 69421221 REHKXBUWCYDVHL-LLVKDONJSA-N 371.462 3.619 0 40 FHAB Cc1ccc(NC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)c(Cl)c1 12913809 XZJRSXWWMHLQOZ-ZDUSSCGKSA-N 358.825 3.791 0 40 FHAB COC(=O)c1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c(C)c1 12919240 UWKOOTFUKZKRMS-GOSISDBHSA-N 369.417 3.592 0 40 FHAB CN(C(=O)CCn1c(=O)oc2ccccc21)[C@@H]1CCCc2ccccc21 13020226 DKLGQPHFPNJVHS-QGZVFWFLSA-N 350.418 3.521 0 40 FHAB CC(=O)N(C)c1nc(COc2ccc(F)cc2Br)cs1 48872671 IORXEDDOCIMTME-UHFFFAOYSA-N 359.220 3.606 0 40 FHAB Cc1coc2c(C)c3oc(=O)c(CC(=O)NCc4ccco4)c(C)c3cc12 4086281 NYKYAKVVDGRTAH-UHFFFAOYSA-N 365.385 3.916 0 40 FHAB biogenic CC[C@@H]1CCCCN1C(=O)COc1cc2oc(=O)cc(C)c2cc1Cl 6365621 MWJPALRABGLZKG-CYBMUJFWSA-N 363.841 3.925 0 40 FHAB CC(C)(NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccc2c(c1)OCO2 65476595 MXKXWDIWEYCUPT-UHFFFAOYSA-N 369.465 3.909 0 40 FHAB O=S(=O)(Nc1ccccc1NCC(F)(F)F)c1ccc2c(c1)CCC2 65474483 YGFVYGHTWCEIKI-UHFFFAOYSA-N 370.396 3.950 0 40 FHAB CCc1nnc(NC(=O)c2ccccc2SCc2cc(C)no2)s1 14016772 YGGGKOVVPNJZKM-UHFFFAOYSA-N 360.464 3.942 0 40 FHAB Cc1c(C)c(C)c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c(C)c1C 14095237 SKDQGCRHOHNMLA-UHFFFAOYSA-N 366.571 3.816 0 40 FHAB COc1ccccc1OCC(=O)Nc1nnc(-c2cccc(C)c2)s1 4695038 LNNLFAPHEAYLTA-UHFFFAOYSA-N 355.419 3.540 0 40 FHAB C[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc2c(c1)OCCO2 8719330 UQKZQDQXKMLKIX-AWEZNQCLSA-N 350.418 3.749 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)Cn2nc(C)c(Br)c2C)cc1F 6923956 SFGWUIJPHGDILN-SNVBAGLBSA-N 368.250 3.985 0 40 FHAB Cc1cc(C)cc(OC[C@H](O)CSc2nnc(C)n2-c2ccccc2)c1 7034276 PCOHALIFWFFYRB-SFHVURJKSA-N 369.490 3.725 0 40 FHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1Br 7272412 FNPGKPXCOABJJT-UHFFFAOYSA-N 362.223 3.840 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(Cn4ccnc4)c3)cc2)n1 25169469 QAXBDQCHZDIHBS-UHFFFAOYSA-N 371.444 3.986 0 40 FHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)c2ccccc2)cc1Cl 7396136 PLXNQTCMNSQOCL-UHFFFAOYSA-N 359.809 3.793 0 40 FHAB COC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1ccccc1Cl 7989272 UBOYDRDYKFSHST-NSHDSACASA-N 374.849 3.693 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2ccc3oc(C)nc3c2)c1C 9322615 DKMDHYYFUNKSQV-LLVKDONJSA-N 355.394 3.551 0 40 FHAB COc1ccc([C@@H]2CC(=O)Oc3ccc4c(C)cc(=O)oc4c32)c(OC)c1 96221625 UOIIETWXUSQADD-HNNXBMFYSA-N 366.369 3.560 0 40 FHAB biogenic CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3cccs3)n2C)c1C 9498590 FBEICPREHBFFGC-UHFFFAOYSA-N 374.491 3.666 0 40 FHAB C[C@@H](NC(=O)CSc1nc(-c2ccccc2F)n[nH]1)c1cccs1 9447424 MLBOJXHLNFEOQR-SNVBAGLBSA-N 362.455 3.642 0 40 FHAB COc1ccc(NC(=O)CN(C)[C@H](C)c2cccc(Cl)c2)cc1OC 97492906 GJMYWQJHNZDOSB-CYBMUJFWSA-N 362.857 3.989 0 40 FHAB NC(=O)[C@@H](OC(=O)c1sccc1-c1ccc(F)cc1)c1ccccc1 84519336 WOIDVNSRALRQPV-INIZCTEOSA-N 355.390 3.938 0 40 FHAB CC(=O)CCc1ccc(OS(=O)(=O)c2cccc3ccc(C)nc23)cc1 79060299 QDFLIBGGAVPDAM-UHFFFAOYSA-N 369.442 3.833 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)OCc2nc(-c3ccc(C)cc3)no2)c1C 9909930 KEPVIFVJGPCBFJ-UHFFFAOYSA-N 353.378 3.550 0 40 FHAB CCc1nc2ccccc2n1CC(=O)N1CCc2[nH]c3ccccc3c2C1 9902270 JILIOUXKSBFOSO-UHFFFAOYSA-N 358.445 3.665 0 40 FHAB COc1cc(CNC2CCCCCC2)ccc1OCC(=O)N1CCCC1 60815891 ADSWIPUJBBVYAC-UHFFFAOYSA-N 360.498 3.509 0 40 FHAB Cc1ccc(-c2cn3c4c(n(C)c3n2)CCN(Cc2cccnc2)C4)cc1 306131490 KGHPNGGEEXQUMO-UHFFFAOYSA-N 357.461 3.602 0 40 FHAB COc1ccc(CCC(=O)N[C@H](C)COc2ccc(C)cc2)cc1OC 67086454 OUXSYXRANWHYCF-MRXNPFEDSA-N 357.450 3.529 0 40 FHAB CCOc1ccc(-c2nnc3n2N[C@@H](c2ccccc2OC)S3)cc1 3843260 RSGDKQBLYTWHPP-QGZVFWFLSA-N 354.435 3.700 0 40 FHAB biogenic CCOC(=O)c1c(NC(=O)CC)sc2c(O)c(Br)ccc12 32918618 RRGOFUKSRDDYLQ-UHFFFAOYSA-N 372.240 3.895 0 40 FHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)OCc1nccn1C(F)F 32907124 MQDNHPLSHUWSDB-UHFFFAOYSA-N 371.409 3.990 0 40 FHAB Cc1ccsc1-c1nnc(CC(=O)NCc2ccc(F)cc2Cl)o1 62007298 VLVFLRRBBLZRDU-UHFFFAOYSA-N 365.817 3.758 0 40 FHAB CC(C)CC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1 39753866 NPFDFBIJTLSCHC-UHFFFAOYSA-N 364.405 3.974 0 40 FHAB CCc1nccn1-c1cccc([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 72378865 YIDUCDLSWBZXBM-SFHVURJKSA-N 360.461 3.850 0 40 FHAB CCc1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1OC 223678375 LKTLNBXJMIDGGX-UHFFFAOYSA-N 370.268 3.821 0 40 FHAB CCc1ccc(N([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)S(C)(=O)=O)cc1 220261405 JRRATCKUULTLME-INIZCTEOSA-N 374.506 3.659 0 40 FHAB Cc1cc(N2CCCC[C@@H]2C)nc(NC(=S)NCc2ccc(F)cc2)n1 225949033 PVFHIBVBAVTGCL-AWEZNQCLSA-N 373.501 3.790 0 40 FHAB S=C1N[C@H](c2ccccn2)[C@H](c2cccs2)N1Cc1ccncc1 223483302 KVRSAUAFGMNYJC-SJORKVTESA-N 352.488 3.711 0 40 FHAB CN(C(=O)c1cc2cc(N(C)S(C)(=O)=O)ccc2s1)c1ccccc1 225851545 NTTDROZPVQZLKD-UHFFFAOYSA-N 374.487 3.574 0 40 FHAB C[C@]1(c2ccc(F)cc2)NC(=S)N(c2ccc(Br)cc2)N1 225347106 ASBHFPWMVJRYNW-HNNXBMFYSA-N 366.259 3.660 0 40 FHAB COc1cc2cc(C(=O)N[C@H]3CCc4ccccc43)[nH]c2c(OC)c1OC 48356195 YUUBXTDQKUIKCS-HNNXBMFYSA-N 366.417 3.611 0 40 FHAB COC1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCCCC1 225628252 YAEZNNNRZNOXJA-UHFFFAOYSA-N 360.498 3.839 0 40 FHAB CCOc1ccc(NC(=O)Cn2ccc(=O)c3c(C)cc(C)cc32)cc1 225755707 CEJKMIVQZIWUIU-UHFFFAOYSA-N 350.418 3.656 0 40 FHAB CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC)cc1 222434847 MSIHWKPWCYAQOA-GOSISDBHSA-N 366.505 3.653 0 40 FHAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN(C)C)cc1 225744676 DZBWIJDWPDARAD-HXUWFJFHSA-N 350.503 3.941 0 40 FHAB O=C(Nc1ccccc1)O[C@H]1CCC[C@H](NS(=O)(=O)c2ccccc2)C1 77200256 FYWWCAXLFMDUFK-IRXDYDNUSA-N 374.462 3.525 0 40 FHAB COc1ccccc1N1CCN(C(=O)Nc2nc(C3CCC3)cs2)CC1 579940460 VGHPPOFMNWBFIH-UHFFFAOYSA-N 372.494 3.773 0 40 FHAB Cc1ncsc1CN1CCC2(CC1)OCC[C@H]2CCOc1ccccn1 248042806 PHSHVCHENBXTPL-QGZVFWFLSA-N 373.522 3.687 0 40 FHAB CCOCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4)OCC[C@@]31C2 257248309 JDBFFNXJOYDRBS-AABFTTDASA-N 357.494 3.722 0 40 FHAB C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NCCCN(C)C)c1O)OC2(C)C 257211001 BXBNXDKXJPOWEK-DJIMGWMZSA-N 374.525 3.765 0 40 FHAB O=C(O)c1nn(-c2cccc(Cl)c2)nc1N1CC[C@@H](c2ccccc2)C1 256047780 ORDUKVUXALREMG-CQSZACIVSA-N 368.824 3.613 0 40 FHAB Cc1ccc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1-n1cccc1 257257253 KOTPWBFDJIJLAL-UHFFFAOYSA-N 374.849 3.558 0 40 FHAB CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)ccc1O 260774949 OIWNYCZLOPZXEH-NXOUGTEYSA-N 355.463 3.775 0 40 FHAB CC[C@H](C(=O)O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 262319800 CMMNXXBEISEBNS-GOSISDBHSA-N 371.412 3.691 0 40 FHAB CN1CCC[C@@H](NC(=O)[C@@]2(Cc3ccc(Cl)cc3)C[C@H]3CC[C@H]2C3)C1 605304467 VALDBDVGAHBLFR-NEOGFGCTSA-N 360.929 3.899 0 40 FHAB O=C(NCCc1ccc(C2CCCCC2)cc1)N1CC[C@@H](n2cncn2)C1 661521909 CLGQODRJBPCRIK-HXUWFJFHSA-N 367.497 3.525 0 40 FHAB CC[C@](CNS(=O)(=O)c1ccc(F)c(Cl)c1)(OC)c1ccccc1 96123775 WMVOPUCMTFWCQD-QGZVFWFLSA-N 371.861 3.709 0 40 FHAB O[C@@H]1[C@@H](NCCc2ccc(F)cc2)CCC[C@H]1Oc1ccc(Cl)cc1 585289276 HFALXIRDPGDLAL-XUVXKRRUSA-N 363.860 3.972 0 40 FHAB CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)/C(O)=N/S(C)(=O)=O 48478997 IUSOIGFCYPQFSS-LLVKDONJSA-N 372.796 3.711 0 40 FHAB Cc1cc(C)n(-c2ccccc2NC(=O)N(C[C@H]2CCOC2)C2CC2)n1 58025127 RRBHMVVYSZFJAW-MRXNPFEDSA-N 354.454 3.522 0 40 FHAB Cc1cc(C)cc(N2CC[C@H](C(=O)NCC3(c4ccccc4)CC3)C2=O)c1 84083714 VDYIVMAAZBEVJL-HXUWFJFHSA-N 362.473 3.504 0 40 FHAB C=CC(=O)Nc1cc(NC(=O)[C@H]2Cc3ccc(C)cc3S2)ccc1F 1319162306 PRUZUMBVHPTUNL-QGZVFWFLSA-N 356.422 3.914 0 40 FHAB Cc1cccc(NC(=O)[C@H](C)N2c3cccc4cccc(c34)S2(=O)=O)c1 5293308 LHOALXPKPHOJKZ-AWEZNQCLSA-N 366.442 3.684 0 40 FHAB CCCOc1ccc(-c2nonc2NC(=O)Cc2ccc(OC)cc2)cc1 12062756 SREAHUYETSQWDN-UHFFFAOYSA-N 367.405 3.715 0 40 FHAB CC(C)n1nccc1C(=O)N1CCC(c2onc3c2C[C@@H](C)CC3)CC1 12119926 QYXFEXIQWRRDIM-AWEZNQCLSA-N 356.470 3.597 0 40 FHAB Cc1cc(C)n(C[C@@H](C)C(=O)N[C@@H](Cc2cccs2)c2nccs2)n1 12225886 LUSCBHWAQUFLMY-WBMJQRKESA-N 374.535 3.754 0 40 FHAB CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc21 13584003 AONOUVGXXWSHST-UHFFFAOYSA-N 372.490 3.658 0 40 FHAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(Br)cc2)C1 13613765 FOFNIRKYJOUSMY-OKILXGFUSA-N 353.304 3.547 0 40 FHAB C[C@H]1Cc2ccccc2N1S(=O)(=O)Cc1ccc(Br)cc1 13673238 UKRIKHHVTKEHRK-LBPRGKRZSA-N 366.280 3.730 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)COc1cccc2ccccc12 13684179 FZCZHDPHPJLKBM-UHFFFAOYSA-N 362.429 3.997 0 40 FHAB O=C(OCc1cc(=O)n2nc(C3CCCCC3)sc2n1)c1ccccc1 15734142 YERBYVBSQQEHCP-UHFFFAOYSA-N 369.446 3.556 0 40 FHAB CCCc1nn(CC(=O)Nc2cccc(C)c2C)c(=S)n1-n1cccc1 16806797 DVRUXIJOFGRXIS-UHFFFAOYSA-N 369.494 3.735 0 40 FHAB COc1cc2c(cc1-c1cncn1C[C@H](C)N1CCCCC1)OCCCO2 19720017 WJVHKBDLQCXSNP-INIZCTEOSA-N 371.481 3.594 0 40 FHAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCc2ccccc2C(C)(C)C1 664224528 SRKARBYTKCGNAI-HNNXBMFYSA-N 368.525 3.513 0 40 FHAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3C(=O)CSc2ccc(F)cc2)c1 1889148881 KKLDZPQNLQQOMX-SJPCQFCGSA-N 359.470 3.817 0 40 FHAB CCOCc1ccccc1CNC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 24774067 LYOCNRJAAATAPF-YWZLYKJASA-N 366.461 3.748 0 40 FHAB O=C(NC[C@H]1COc2ccccc2O1)Nc1cccc(C(F)(F)F)c1 3901355 NKBRFRZQFYYIPL-ZDUSSCGKSA-N 352.312 3.667 0 40 FHAB Fc1ccc(-n2nnc3c(SCc4ccccc4F)ncnc32)cc1 4166716 ISKHDKGXHFBHQD-UHFFFAOYSA-N 355.373 3.781 0 40 FHAB O=C(NCc1nnc(SCc2ccccc2F)o1)c1ccc(F)cc1 5107482 AIQWNDKJSWXNNA-UHFFFAOYSA-N 361.373 3.570 0 40 FHAB O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1ccno1 10253888 COOICKHKPGEWOK-UHFFFAOYSA-N 371.190 3.920 0 40 FHAB O=C(COc1ccc(F)cc1)OCc1cc(-c2ccc(F)cc2F)on1 11613691 ATFKGXIHCYDHLK-UHFFFAOYSA-N 363.291 3.881 0 40 FHAB COc1cccc(CCNC(=O)Cc2cc(-c3ccc(C)cc3)on2)c1 12422159 CQCPNUPRLVTKGW-UHFFFAOYSA-N 350.418 3.560 0 40 FHAB Cc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 14052607 VRDGWESVIWKRTL-UHFFFAOYSA-N 351.431 3.885 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1[C@H]2CC[C@H]1CC(n1cncn1)C2 1775967464 SLSGCJXSAWHTRN-RYUDHWBXSA-N 366.252 3.985 0 40 FHAB COc1ccccc1CNC(=O)Cc1cc(-c2cc3ccccc3o2)on1 23127267 CEPHSOKZZKSOLC-UHFFFAOYSA-N 362.385 3.955 0 40 FHAB CSc1ccccc1NC(=O)CN(C)C(=O)C[C@@H](C)c1ccccc1 31546104 CJRSMMBMYAJNCC-OAHLLOKOSA-N 356.491 3.999 0 40 FHAB Cc1ccc(C)c(NC(=O)CN2C(=O)COc3cc(C(C)(C)C)ccc32)c1 51316192 OMQFWWWGFWAJDS-UHFFFAOYSA-N 366.461 3.965 0 40 FHAB CCCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1C 11565945 KTAWOZGYMMJCRD-UHFFFAOYSA-N 363.435 3.673 0 40 FHAB Cc1cc(C)cc(-c2nnc(SCC(=O)NCCc3ccccc3)o2)c1 929468 TXHWSIGIOUERKA-UHFFFAOYSA-N 367.474 3.804 0 40 FHAB CCc1cc2cc3c(cc2nc1SCC(=O)N1CCC[C@H](C)C1)OCO3 4849527 JVLSCRFHOWLIMY-ZDUSSCGKSA-N 372.490 3.877 0 40 FHAB COc1ccc(-c2noc(CN(C)C(=O)Cc3ccc(Cl)cc3)n2)cc1 7720807 GAVIHUGKWTXQGY-UHFFFAOYSA-N 371.824 3.600 0 40 FHAB COc1cc(C)c(CN2C(=O)[C@H](C)N(c3ccc(C)cc3)C2=O)cc1OC 7779155 IOUGYPPDQAYFBW-HNNXBMFYSA-N 368.433 3.678 0 40 FHAB Cc1ccc(C(=O)NCCc2cccc(F)c2)cc1NC(=O)c1ccco1 10101383 ZGPWHPNMZGEPBZ-UHFFFAOYSA-N 366.392 3.952 0 40 FHAB C[C@H](Sc1nnc(NC(C)(C)C)s1)C(=O)Nc1cccnc1Cl 32841176 YNZBHODTGBTCIP-QMMMGPOBSA-N 371.919 3.916 0 40 FHAB CCCN1C(=O)[C@]2(OCc3ccccc3N2C(=O)C2CC2)c2ccccc21 10157820 LZMULPSPPWFXKR-JOCHJYFZSA-N 362.429 3.569 0 40 FHAB Cc1noc(C)c1COc1cccc(C(=O)NCCc2cccs2)c1 8128485 HLYKEPBGXNYJQL-UHFFFAOYSA-N 356.447 3.904 0 40 FHAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc2c(c1)OCCO2 8225261 NWMRAZHRBZEBKG-CQSZACIVSA-N 369.442 3.651 0 40 FHAB COc1cccc(CNCCCN(C)C)c1OCc1ccc(Cl)cc1 8373897 DDCXDEYPXCMCHX-UHFFFAOYSA-N 362.901 3.969 0 40 FHAB COC(=O)c1ccc(CNC(=O)C2(c3cccc(F)c3)CCCC2)cc1 32999841 RHKQBORHVVNRTP-UHFFFAOYSA-N 355.409 3.741 0 40 FHAB O=C(OCCNc1ccc(C(F)(F)F)cn1)c1ccc2ncccc2c1 89807849 TULBDZQGAMDVQG-UHFFFAOYSA-N 361.323 3.918 0 40 FHAB Cc1cc(C)c(OCC(=O)NC[C@H](c2ccco2)N2CCCCC2)c(C)c1 22402760 SZZRGQUGUGSMFP-LJQANCHMSA-N 370.493 3.927 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)Cc1c[nH]c2ccccc12)CC3 12296592 CQVUHAMAXAZVMY-UHFFFAOYSA-N 359.429 3.785 0 40 FHAB biogenic O=C(CCc1ccccc1O)NCC1(c2cccc(Cl)c2)CCOCC1 54314232 GNDKYHDSMZNFSV-UHFFFAOYSA-N 373.880 3.843 0 40 FHAB O=C(OC[C@@H]1CCCO1)c1cc(-c2cccs2)nn1-c1ccccc1 24502690 VMOWOBRHYJWEKV-HNNXBMFYSA-N 354.431 3.937 0 40 FHAB O=C(Nc1cccc(Cl)c1)c1c(O)n2c3c(cccc3c1=O)CCC2 1294131 FWNUVOFAHNZOCN-UHFFFAOYSA-N 354.793 3.559 0 40 FHAB O=C1CCCc2cc(NC(=O)N[C@@H]3CCc4ccc(F)cc43)ccc2N1 106946251 FTBYUBVFFYOPGE-GOSISDBHSA-N 353.397 3.910 0 40 FHAB C[C@@H]1COCCN1C(=O)NCc1ccc(N(C)c2ccccc2)c(F)c1 57147000 APNHSBCMMZYDQY-OAHLLOKOSA-N 357.429 3.524 0 40 FHAB COc1ccc(CCNC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1OC 26519291 NFYZUNMSXHKETA-ZDUSSCGKSA-N 362.857 3.960 0 40 FHAB Cc1ccc(C)c(-n2nnnc2SCC(=O)c2c[nH]c3ccccc23)c1 3245939 ASIDTRSWKBRCDG-UHFFFAOYSA-N 363.446 3.735 0 40 FHAB C[C@H]1CCCCN1C(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1 57486617 PJBSGSKFWIFUQF-AWEZNQCLSA-N 368.412 3.745 0 40 FHAB O=C(NC(=S)Nc1ccc(N2CCCCC2)c(F)c1)c1ccccc1 21577120 RQZFKLMBZBYUGW-UHFFFAOYSA-N 357.454 3.943 0 40 FHAB Cc1ccc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c2[nH]ncc12 58023254 UGTCICFWLORKCS-SNVBAGLBSA-N 352.419 3.556 0 40 FHAB COc1cccc(-c2nnc3sc(-c4ccc(OC)c(OC)c4)nn23)c1 2263875 BFUNXFKQAQERDN-UHFFFAOYSA-N 368.418 3.546 0 40 FHAB CCOC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)c2ccc(C)cc2)cc1 10702953 FFIIVVODASUKQA-CQSZACIVSA-N 355.390 3.992 0 40 FHAB CN(C)[C@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 3375008 QPRHQSKHZQCBQK-OAHLLOKOSA-N 373.305 3.575 0 40 FHAB COc1ccc(C(=O)N(Cc2cccnc2)C2CC2)cc1Br 28516335 ANSKCXXKDJZLJV-UHFFFAOYSA-N 361.239 3.658 0 40 FHAB O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1ccc(F)cc1 12772478 JGSQCCZYVFSSPT-UHFFFAOYSA-N 370.424 3.938 0 40 FHAB Cc1cc(C)cc(OCC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1 8062010 JYGQTZYBTRIHLR-JOCHJYFZSA-N 369.461 3.967 0 40 FHAB COC(=O)N(C)c1ccc(N[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1 62241984 BRNBMLMXIYXPNM-GJZGRUSLSA-N 367.449 3.667 0 40 FHAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(C(=O)C2CC2)CC1 12853464 IOJKLVCWAITBAN-UHFFFAOYSA-N 374.790 3.946 0 40 FHAB Cc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O 3481311 IRSVUFAAQJMXPI-UHFFFAOYSA-N 350.418 3.889 0 40 FHAB CC(C)[C@@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@H](C)C2 3536613 MJWJPOPQQOIYEV-LSDHHAIUSA-N 368.477 3.677 0 40 FHAB COc1ccc(NC(=O)COC(=O)c2ccccc2Cl)cc1Cl 3619044 ZVVXHBXUEYBJCC-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB COc1c2c(cc3c1[C@H](c1c[nH]c4ccc(C)cc14)N(C)CC3)OCO2 20759109 CQYGCOBNUPWBOY-IBGZPJMESA-N 350.418 3.791 0 40 FHAB biogenic C[C@H](N[C@H]1CC(=O)N(c2ccccc2)C1=O)C12CC3CC(CC(C3)C1)C2 4019481 SLMWKNYKHBTVTM-FTBFDPLKSA-N 352.478 3.513 0 40 FHAB CC1=NN(C(=O)c2ccccc2Br)[C@](O)(c2ccccc2)C1 4142697 YSTLSNHHEXAWNY-QGZVFWFLSA-N 359.223 3.516 0 40 FHAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2F)NC(=S)N1C 28464400 ORVYJIOLSOMBAL-GOSISDBHSA-N 370.449 3.704 0 40 FHAB COc1ccc(CCNc2ncnc3sc4c(c23)CCC4)cc1OC 5127348 FPYURXVPJJJBHB-UHFFFAOYSA-N 355.463 3.852 0 40 FHAB CN1CCC2(CC1)Oc1ccccc1[C@H]1[C@H]3CCc4ccccc4C3=NN12 13810147 COBOEWUKKRMQNZ-UGKGYDQZSA-N 359.473 3.824 0 40 FHAB O=C(c1ccc2c(c1)OCCCO2)N1CCC(Nc2ccc(F)cc2)CC1 65474493 BFZCDFREMFEHAX-UHFFFAOYSA-N 370.424 3.704 0 40 FHAB CCCOc1ccc2cc(C(=O)c3ccc(S(C)(=O)=O)cc3)oc2c1 14197686 HXXNZPFILOECTJ-UHFFFAOYSA-N 358.415 3.856 0 40 FHAB Cc1cc(NC(=O)COc2ccc(C3SCCCS3)cc2)no1 14124977 KPWXDYLOHDSGDB-UHFFFAOYSA-N 350.465 3.869 0 40 FHAB CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccccc2F)N(C)C(=O)N1C 14120396 PWSPLQJMLBAKLF-SFHVURJKSA-N 371.387 3.916 0 40 FHAB C[C@H]1CN([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C[C@@H](C)O1 14158940 XMCFMQAXWOYPAK-AXFHLTTASA-N 364.795 3.795 0 40 FHAB COC(=O)c1cccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1 14568909 FNNGUXLZBJIGGI-UHFFFAOYSA-N 364.357 3.571 0 40 FHAB CCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1cccc(O)c1 6752998 JDBQHWLCUSRWLP-FQEVSTJZSA-N 363.417 3.833 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)N3CCSc4ccncc43)cc2F)n1 176101984 IRDIPMAIVFFAHV-UHFFFAOYSA-N 368.437 3.776 0 40 FHAB C[C@H](OC(=O)c1cncc(Br)c1)C(=O)c1ccc(Cl)cc1 7417265 YCNNMTSLLKQLRI-VIFPVBQESA-N 368.614 3.926 0 40 FHAB CCOc1cc(S(=O)(=O)N2CCCC[C@@H]2CC)c(OCC)cc1C 9061984 JGUDPEMNNVVILC-HNNXBMFYSA-N 355.500 3.746 0 40 FHAB CCOCc1ccccc1CNC(=O)Nc1ccc2nc(N(C)C)oc2c1 89988687 WDWVOKOMKPUXFD-UHFFFAOYSA-N 368.437 3.752 0 40 FHAB CCn1c(SCC(=O)N[C@H](C)c2cccs2)nnc1-c1ccco1 9112908 YDDXNSIXVMKBEQ-LLVKDONJSA-N 362.480 3.589 0 40 FHAB O=C(c1ccccn1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19890446 GPKSDPROUKCXJY-UHFFFAOYSA-N 357.457 3.629 0 40 FHAB Cc1cc(C(=O)NCCc2nc(-c3ccccc3)no2)c2ccccc2n1 9577202 XHPDUWZWBARFOL-UHFFFAOYSA-N 358.401 3.566 0 40 FHAB O=C(NCC1(c2cccc(C(F)(F)F)c2)CCCC1)N1CCC[C@@H](O)C1 84364336 XTQUNAMAGPOTMO-MRXNPFEDSA-N 370.415 3.684 0 40 FHAB O=C(Cn1cc(-c2ccccc2)ncc1=O)Nc1cccc(C(F)(F)F)c1 72403487 KVQRCAMZTPYKDY-UHFFFAOYSA-N 373.334 3.568 0 40 FHAB COc1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1 95453706 YMIMNCLKBRFLNW-QGZVFWFLSA-N 363.421 3.849 0 40 FHAB COc1ccc2cc(C(=O)NCCC[C@@H]3CCCC[C@@H]3O)c(C)nc2c1 89536692 SXHGJNPLIPXKQZ-YWZLYKJASA-N 356.466 3.613 0 40 FHAB CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1cccc(C(F)(F)F)c12 521396090 VFFRNJRVAZKDRJ-UHFFFAOYSA-N 370.371 3.926 0 40 FHAB Cc1nc(-c2ccc([C@@H](C)NC(=O)[C@@H]3CCc4c[nH]nc4C3)cc2)cs1 525198963 ACUXMGQQAHICEI-MLGOLLRUSA-N 366.490 3.824 0 40 FHAB CC1(C)C(=O)Nc2cc(C(=O)NCc3ncc(-c4ccccc4)o3)ccc21 555296663 FZFXHWXBXAPAFP-UHFFFAOYSA-N 361.401 3.501 0 40 FHAB COc1ccccc1CNC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1 30848907 AGPIKLSEARUXFP-ZDUSSCGKSA-N 361.463 3.509 0 40 FHAB COc1ccc(OC)c(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)c1 38834750 XEQPSOGRTHTYIT-KRWDZBQOSA-N 354.450 3.555 0 40 FHAB Cc1nccn1-c1ccccc1CNC(=O)c1ccc(CN2CCCC2)cc1 30854634 NKVHEFMQIZMOOQ-UHFFFAOYSA-N 374.488 3.707 0 40 FHAB Cc1ccc(-c2nc(NCc3cccnc3)ncc2-c2cnccn2)s1 72340287 MGKXDWXSFJGRAT-UHFFFAOYSA-N 360.446 3.978 0 40 FHAB COc1cccc(-c2noc([C@@H]3CCN(CCOc4ccccc4)C3)n2)c1 72369889 VXAOGPVVMXTIIZ-QGZVFWFLSA-N 365.433 3.614 0 40 FHAB O=C(CCc1nc(-c2cccnc2)no1)NCc1cccc2ccccc12 73574079 ISDOHVGSMQSMQX-UHFFFAOYSA-N 358.401 3.534 0 40 FHAB C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 562147751 RQLGLEFVAZXXBK-GOEBONIOSA-N 373.888 3.616 0 40 FHAB CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(F)c1 225106032 XQMOOFLGZXCIIA-UHFFFAOYSA-N 373.833 3.712 0 40 FHAB CC(C)NC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCC2)n1 225887991 ODQRCQARQLWMOW-UHFFFAOYSA-N 357.483 3.564 0 40 FHAB CCOc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1C 225876324 PSCAJAUMUXSPDZ-UHFFFAOYSA-N 353.462 3.872 0 40 FHAB CC[C@H](NC(=O)CCc1ccc(OC)cc1)c1ccc(OC)c(OC)c1 225318036 HQFAIZJZGJJRDC-SFHVURJKSA-N 357.450 3.913 0 40 FHAB Cc1ccc(OCC(=O)Nc2cc(N)ccc2N2CCC(C)CC2)cc1 226253228 BHJOOFONXJFCGR-UHFFFAOYSA-N 353.466 3.831 0 40 FHAB CCCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCc1ccccc1OC 222754843 CJMBKLXWPOWSTI-KRWDZBQOSA-N 368.477 3.529 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C 224267482 AQHLEGASVUYWIV-NRFANRHFSA-N 366.505 3.789 0 40 FHAB C[C@H](CCCC(C)(C)O)NC(=O)C1CCN(C/C=C/c2ccccc2)CC1 199423758 JQDUURFQQPZGDX-YRVHBARZSA-N 372.553 3.858 0 40 FHAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc3c(c2)OCO3)cc1C 225789806 MTEKYDMSFJRYLV-CQSZACIVSA-N 358.463 3.786 0 40 FHAB CC(C)n1cc(C(=O)Nc2cccc(-c3nnn(C)n3)c2)c2ccccc21 96232076 PAMFVBFWDGQSCW-UHFFFAOYSA-N 360.421 3.665 0 40 FHAB COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3cccs3)C2)cc1 95532082 MXIJXINQNBXKCA-INIZCTEOSA-N 372.446 3.689 0 40 FHAB CC(C)c1c(NC(=O)N[C@@]23C[C@@H]2COC3(C)C)cnn1-c1ccccc1 529084311 ZOMSRXBONIGGDH-VLIAUNLRSA-N 354.454 3.685 0 40 FHAB CN(C)Cc1cccc(-c2cccnc2C(=O)NCc2cccc(F)c2)c1 257258409 KTTCKBZEQTZXLU-UHFFFAOYSA-N 363.436 3.879 0 40 FHAB COC(=O)N(Cc1ccccc1)[C@@H](C(=O)NC(C)(C)C)c1ccccc1 255189434 PWQDZFOYXMZABA-GOSISDBHSA-N 354.450 3.911 0 40 FHAB COC(=O)c1cnc(Sc2nnc(-c3cccc4ccccc34)o2)cn1 1650782040 NYSKZBFYSOPJSR-UHFFFAOYSA-N 364.386 3.618 0 40 FHAB O=C(c1ccccc1Br)N(Cc1cnc2ccccn12)C1CC1 96025044 UCRWTRMFKCQUCO-UHFFFAOYSA-N 370.250 3.902 0 40 FHAB COc1ccc(-c2ccc(CNC(=O)N3CCC[C@](C)(O)CC3)cc2)cc1 684269192 YLTQZCTZRJWJTK-QFIPXVFZSA-N 368.477 3.809 0 40 FHAB O=C(Nc1ccc(I)cc1F)c1cccc(F)c1 14258267 RATSDUVSFCQLFF-UHFFFAOYSA-N 359.113 3.822 0 40 FHAB Cc1cc(-c2cn[nH]c2[C@H]2CCCN(C(=O)[C@@H](C)c3ccccc3)C2)on1 12087348 ACFLDUYLVUSCGB-RDJZCZTQSA-N 364.449 3.883 0 40 FHAB FC(F)(F)c1cc([C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2c2ccccc2)n[nH]1 12129188 OAGWJYMYJUEBIF-CWRNSKLLSA-N 365.399 3.648 0 40 FHAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)c1 13685681 NRDZWBQBOJRASA-INIZCTEOSA-N 354.450 3.848 0 40 FHAB CC(C)c1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 13717301 YOAVIDWAQWNGAZ-UHFFFAOYSA-N 350.418 3.825 0 40 FHAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)OCc3cc(C)no3)c2C)cc1 14678172 JRPPNPKMFCINNE-MDZDMXLPSA-N 365.433 3.910 0 40 FHAB COc1cc2c(cc1OC)[C@@H](c1ccncc1)N[C@@H](c1ccc(C)cn1)C2 19216097 YACONWKEVAZRAO-DENIHFKCSA-N 361.445 3.779 0 40 FHAB O=C(Cc1cccc(F)c1)N1CCC[C@@H]1c1n[nH]cc1-c1ccncc1 19293713 QUUXEZQATCCTKP-GOSISDBHSA-N 350.397 3.517 0 40 FHAB CCCC(=O)N[C@@H](Cc1cc(N(C)C)nc(C2CC2)n1)c1ccccc1 19501714 XACKBRGVFRZXBT-SFHVURJKSA-N 352.482 3.620 0 40 FHAB COc1ccc(SCC(=O)NCc2ccccc2Cl)cc1OC 19932232 DPVGMEGCKNVVEF-UHFFFAOYSA-N 351.855 3.766 0 40 FHAB O=C(COC(=O)/C=C/c1cccc(C(F)(F)F)c1)NC1CCCCC1 3451216 JEQKWCJKVXWCQZ-MDZDMXLPSA-N 355.356 3.711 0 40 FHAB N[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)[C@H]1c1ccccc1F 19376006 GSCRKRGLIFZQPU-NQIIRXRSSA-N 351.425 3.541 0 40 FHAB C[C@H](C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)n1cnc2ccccc21 30647303 RMFTVIRQJYAAJT-CYBMUJFWSA-N 362.408 3.803 0 40 FHAB CCCCNC(=O)c1c(C(F)(F)F)nn([C@H]2CCCN(C(C)C)C2)c1C 36704551 PIJVBUHBMCRFEG-AWEZNQCLSA-N 374.451 3.786 0 40 FHAB CO[C@]1(COc2ccccc2)CCCN(C(=O)c2ccc(F)cc2F)C1 2037916047 JVPFXXDYXKJVIC-HXUWFJFHSA-N 361.388 3.665 0 40 FHAB C[C@H]1CCc2sc(NC(=O)c3nc4ccccc4s3)c(C(N)=O)c2C1 4071968 WOXJXLGTRLCQCH-VIFPVBQESA-N 371.487 3.834 0 40 FHAB COc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(C)c2)cc1 5441307 XVQAYNZLMHXPNG-UHFFFAOYSA-N 352.434 3.702 0 40 FHAB Fc1ccccc1N1CCN(c2nccn3nc(-c4ccccc4)cc23)CC1 33048714 GKUNNNXXHDDNQR-UHFFFAOYSA-N 373.435 3.862 0 40 FHAB O=C(NCc1ccc(Cl)cc1)N1CC[C@H](N2CCc3ccccc3C2)C1 225687729 UGYLCLYKXXDHNL-FQEVSTJZSA-N 369.896 3.682 0 40 FHAB CCOCc1ccccc1CNC(=O)c1ccc2c(c1)NC(=O)CCS2 30179702 ODDIQWWGISQVCJ-UHFFFAOYSA-N 370.474 3.587 0 40 FHAB O[C@H](c1ccccc1)C1CCN(Cc2nc(Cc3ccccc3)no2)CC1 40105453 VXNRHVCKANWYCP-JOCHJYFZSA-N 363.461 3.606 0 40 FHAB CNC(=O)c1cccc(CNC(=O)C2(c3cccc(Cl)c3)CCCC2)c1 32164429 IRCGCSCAWRDMOH-UHFFFAOYSA-N 370.880 3.828 0 40 FHAB Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)OCc2ccccc2)c1 1088709 ALHNZCFVIMQQKF-KRWDZBQOSA-N 356.447 3.645 0 40 FHAB Cc1nn(-c2ncccn2)c2c1[C@H](c1c(F)cccc1F)SCC(O)=N2 20733076 BSLXPCPKUMDLSE-OAHLLOKOSA-N 373.388 3.673 0 40 FHAB CCCSc1nnc2c(n1)O[C@H](c1cccnc1)Nc1ccccc1-2 4164611 LLQXODQFGJUBLR-MRXNPFEDSA-N 351.435 3.939 0 40 FHAB O=C(Oc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1)c1cccs1 4553579 QQQMANFNRIBDGQ-LZDSYCOUSA-N 367.426 3.503 0 40 FHAB FC(F)(F)c1ccc(N2CCC[C@H]2c2nnc3n2CCCCC3)nc1 32779210 KNLPKQZQAQMROL-ZDUSSCGKSA-N 351.376 3.760 0 40 FHAB Cc1cccc(NC(=O)/C(=C\c2ccncc2)NC(=O)c2ccccc2)c1 4854904 ZQVSSQHFHZFRAR-HMMYKYKNSA-N 357.413 3.800 0 40 FHAB C[C@H](NC(=O)c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1C 6175528 DWXRVMGXKRERGV-ZDUSSCGKSA-N 370.453 3.738 0 40 FHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1ccccc1Br 102405735 CLHVHCBOWZGBRI-TYNCELHUSA-N 368.271 3.547 0 40 FHAB COC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1Cc1ccccc1 8191624 UPTFOFLSENQKKH-LBPRGKRZSA-N 359.476 3.709 0 40 FHAB O=C(Nc1ccccc1)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2 11999093 QORYMPVJRWOEFB-UHFFFAOYSA-N 358.401 3.929 0 40 FHAB Cc1nc(-c2cccs2)sc1C(=O)NCc1ccc2c(c1)OCCO2 17860276 NVOWYOQJUQWTLN-UHFFFAOYSA-N 372.471 3.881 0 40 FHAB CCOC(=O)/C=C(/NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F 100926193 GCKFUOMOCOXUNN-UXBLZVDNSA-N 356.127 3.733 0 40 FHAB COc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cn1 33231806 CKWJYIRJPBKYRN-UHFFFAOYSA-N 350.403 3.719 0 40 FHAB COC(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccc(C)cc1 649458 CJUDHFDGLYDXOB-UHFFFAOYSA-N 369.446 3.516 0 40 FHAB COc1ccc(OC)c(/C=C2/SC(=O)N(CNc3ccccc3)C2=O)c1 59457351 DMXLOZHUIRANFD-GZTJUZNOSA-N 370.430 3.810 0 40 FHAB O=C(CCCc1cccs1)N1CCC(c2nnc3ccccn23)CC1 24327901 QRFYTPZTPXOGCH-UHFFFAOYSA-N 354.479 3.520 0 40 FHAB CCc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCC3=O)cc2)cc1 12555804 LBLWYBJPDAWZPZ-OAHLLOKOSA-N 351.450 3.815 0 40 FHAB Cc1nc([C@H](Cc2ccsc2)NC(=O)[C@H]2C[C@@H]3C=C[C@@H]2O3)sc1C 100200004 GBYWVDVCHUMISO-VGWMRTNUSA-N 360.504 3.565 0 40 FHAB CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1cccc(F)c1 1451733 DBEMLXBHYMDZPG-UHFFFAOYSA-N 361.413 3.529 0 40 FHAB Cc1ccc(-c2cc(C(=O)N3CCC(C(N)=O)CC3)c3ccccc3n2)cc1 3227906 VILKBSAZTFTPKV-UHFFFAOYSA-N 373.456 3.548 0 40 FHAB O=C(Nc1cccc2ncccc12)C1CCN(C(=O)c2cccs2)CC1 25450197 FWNGILMYSXKKTI-UHFFFAOYSA-N 365.458 3.787 0 40 FHAB Clc1cc(Cl)cc(-c2ccc(CNCCN3CCOCC3)o2)c1 20018565 YTQWPPVTVCNJPZ-UHFFFAOYSA-N 355.265 3.675 0 40 FHAB Cc1nnc(NCCNC(=O)c2ccc(C(F)(F)F)cc2)c2ccccc12 25523421 DYOCEVUBWHLEKM-UHFFFAOYSA-N 374.366 3.799 0 40 FHAB CC(C)c1ccc([C@H](O)CN2C(=O)[C@H](C)N(c3ccc(F)cc3)C2=O)cc1 44263994 ANOZYAJJYPVCHL-IFXJQAMLSA-N 370.424 3.840 0 40 FHAB COc1ccccc1N1CCN(c2ncnc3ccc(Cl)cc23)CC1 57519750 PSXLXGSDEOPQFX-UHFFFAOYSA-N 354.841 3.618 0 40 FHAB O=C(Nc1cccc(-n2cnnn2)c1)c1cc2c(s1)-c1ccccc1CC2 27229212 NHKCUMSLBGHNLD-UHFFFAOYSA-N 373.441 3.742 0 40 FHAB CCN(Cc1cc(=O)n2nc(C)sc2n1)[C@@H](C)c1cc2ccccc2o1 58172418 XSRHKEBVOKRNEK-LBPRGKRZSA-N 368.462 3.789 0 40 FHAB C[C@H]1CCC[C@H](C)N1C(=O)COc1ncnc2sc3c(c12)CCCC3 3326032 AWQXECOAROQYDK-STQMWFEESA-N 359.495 3.738 0 40 FHAB COc1ccc(CNC(=O)c2sc(=S)n(-c3ccccc3)c2N)cc1 2380855 QDACFDYXTCCNHQ-UHFFFAOYSA-N 371.487 3.789 0 40 FHAB CCc1cc(C(=O)N2CCCCC2)c2c(C)nn(Cc3ccccc3)c2n1 36621751 OYAXHWZBNUHQTD-UHFFFAOYSA-N 362.477 3.977 0 40 FHAB CS(=O)(=O)c1cccc(C(=O)Nc2ccccc2Cc2ccccc2)c1 3473570 UZZHYZXCOQLSQC-UHFFFAOYSA-N 365.454 3.933 0 40 FHAB Cc1ccc(-n2nc(C)c(C(=O)N(C)Cc3sccc3C)n2)c(C)c1 69694752 XLEHRXPMCRLPII-UHFFFAOYSA-N 354.479 3.835 0 40 FHAB CCOc1cc(CNCC(C)C)ccc1Oc1nnnn1-c1ccccc1 13717720 AMGSQNPDMNOXBS-UHFFFAOYSA-N 367.453 3.599 0 40 FHAB COc1ccc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)[nH]c2c1 5245154 AAVVOOXAZDLQHS-UHFFFAOYSA-N 363.461 3.571 0 40 FHAB Cc1ccc([C@H](NCc2nnnn2-c2ccccc2)c2ccccc2)cc1 14095375 GKHJLTFIQHECBK-JOCHJYFZSA-N 355.445 3.850 0 40 FHAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)Nc1ccc(F)cc1 14185057 BLEPNKXMNBFHAF-UHFFFAOYSA-N 350.777 3.962 0 40 FHAB COc1cccc([C@@]2(C)NC(=O)N(Cc3cccc4ccccc34)C2=O)c1 6509771 GTXOREPVQXSMCU-JOCHJYFZSA-N 360.413 3.816 0 40 FHAB COc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)n3ncnc3N2C(C)=O)cc1 4816620 PIONEWNMTBYKTG-RBUKOAKNSA-N 366.396 3.513 0 40 FHAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CC(C)(C)C)c1 5975393 OTJVKKLXJLEMLV-UHFFFAOYSA-N 360.479 3.886 0 40 FHAB c1ccc(-c2nnn3c2nc(NCc2ccncc2)c2ccccc23)cc1 67262228 QRZRASZUHGXWTI-UHFFFAOYSA-N 352.401 3.952 0 40 FHAB COC(=O)c1cccc(Nc2c(-c3ccc(O)cc3)nc3ncccn23)c1 15414484 ICOUUJBRIGJTDI-UHFFFAOYSA-N 360.373 3.632 0 40 FHAB COc1ccc(-c2csc(NC(=O)c3n[nH]c4ccccc34)n2)cc1 7138268 FTNMEDLFNBAWIA-UHFFFAOYSA-N 350.403 3.947 0 40 FHAB Cc1ccc(C)c(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c1 16142498 DEBBLQUBJRBQNE-UHFFFAOYSA-N 350.462 3.860 0 40 FHAB CC(C)(C)c1ccc(NC(=O)Cc2csc(N3CCCC3=O)n2)cc1 7919370 FQHHTGLMSHRLQI-UHFFFAOYSA-N 357.479 3.749 0 40 FHAB Cc1ccc([C@H](CNC(=O)COc2ccccc2)N2CCCCC2)cc1 27583954 LKUWRPIOWKLLTF-NRFANRHFSA-N 352.478 3.717 0 40 FHAB COc1ccc(CNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 8075384 WJUHQAGJLGDBSP-UHFFFAOYSA-N 371.824 3.648 0 40 FHAB Cc1cc(C)c(NC(=O)CN(C)C[C@@H]2COc3ccccc3O2)c(Cl)c1 16628322 NPPNNZGZDZSDTB-OAHLLOKOSA-N 374.868 3.667 0 40 FHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc(-c2ccccc2)[nH]n1 8134229 NOSUNWAPSIVJFS-UHFFFAOYSA-N 371.444 3.594 0 40 FHAB COC(=O)c1c(C)cccc1NC(=O)c1cc2cnn(C(C)C)c2nc1C 8327371 WTGQGRCCLQZPDW-UHFFFAOYSA-N 366.421 3.668 0 40 FHAB CC(=O)Nc1cccc2c1ccn2CC(=O)NCc1cccc(Cl)c1 96118247 MDDRKAZFASFQGB-UHFFFAOYSA-N 355.825 3.570 0 40 FHAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 19832004 LOCZSUXWXNWQOA-QGZVFWFLSA-N 372.896 3.760 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)cc3c2CCC3)c(Cl)c1 71974148 NBQSSUADLUDMJA-UHFFFAOYSA-N 365.838 3.636 0 40 FHAB C/C(=C\C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1)C(C)(C)C 79752551 XPYYCNBXCZBEHH-RVDMUPIBSA-N 359.466 3.572 0 40 FHAB O=C(COCc1nc2ccccc2s1)Nc1ccc2c(c1)OCCCO2 9948992 TUEJDXMPDPBJGG-UHFFFAOYSA-N 370.430 3.613 0 40 FHAB C[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 75358128 RFDQVVJGKVMXDK-CYBMUJFWSA-N 368.481 3.854 0 40 FHAB CC1(c2nc(-c3ccc(NC(=O)Nc4ccccc4)cc3)no2)COC1 545624712 NSRQTBHOFXHCRW-UHFFFAOYSA-N 350.378 3.669 0 40 FHAB Cc1nnc(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)o1 32950308 ABTYYDJKYZFWMQ-UHFFFAOYSA-N 355.419 3.688 0 40 FHAB COc1ccccc1N[C@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O 36635881 YZDFZODTNPNXMZ-ZDUSSCGKSA-N 365.216 3.746 0 40 FHAB CN(CCO)Cc1cc(NC(=O)C2(C)CCC(F)(F)CC2)ccc1Cl 529251443 SHHWULDGOQANCO-UHFFFAOYSA-N 374.859 3.918 0 40 FHAB Cc1nc(-c2cccc(NC(=O)c3ccc(N4CCCC4)nn3)c2)cs1 75172582 PEVYOOTVNDSOBQ-UHFFFAOYSA-N 365.462 3.761 0 40 FHAB CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2cccc(Br)n2)C1 72203632 ZWTKROMSKPIPCC-GFCCVEGCSA-N 370.291 3.680 0 40 FHAB O=C(NCc1cccs1)NCC1CCN(c2nc3ccccc3o2)CC1 70932463 FGJLJDDOTJXQAP-UHFFFAOYSA-N 370.478 3.605 0 40 FHAB O[C@H](c1nccs1)c1ccccc1N1CCN(Cc2cccs2)CC1 72340473 GPJXGGSMVKOMGM-SFHVURJKSA-N 371.531 3.609 0 40 FHAB CCCn1ccc2c(cnc3c(-c4ccc(F)cc4)c(CC)nn32)c1=O 40396700 ZSMJVGQAFVFLBK-UHFFFAOYSA-N 350.397 3.823 0 40 FHAB Cc1ccnc(NC(=S)NCCNc2ccnc3cc(Cl)ccc23)c1 225227426 BGLXXHJIBLJQQP-UHFFFAOYSA-N 371.897 3.990 0 40 FHAB O=C(O)CC1(CNC(=O)Cn2ccc3ccc(Cl)cc32)CCCCC1 40266933 FBFPYPXDLZQOOI-UHFFFAOYSA-N 362.857 3.836 0 40 FHAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1cccc(Br)c1 225744622 XUTIOCWPNBCSCB-UHFFFAOYSA-N 371.234 3.711 0 40 FHAB O=C(N[C@H](c1cccnc1)C1CCOCC1)C1(c2ccc(F)cc2)CC1 225623270 IGZKCFZAHGHVEH-IBGZPJMESA-N 354.425 3.536 0 40 FHAB COc1ccc(CN(C)C(=O)COc2ccccc2C(F)(F)F)cc1F 40018216 ZNRLKPMLJCMKFH-UHFFFAOYSA-N 371.330 3.891 0 40 FHAB O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(Cc1ccco1)CC2 96100258 XGNYKSGAKJFFEC-HXUWFJFHSA-N 350.462 3.855 0 40 FHAB Cc1nc(CCNc2ccc(F)cc2S(=O)(=O)C(F)(F)F)cs1 95397032 WHORETHKNVDWGX-UHFFFAOYSA-N 368.377 3.539 0 40 FHAB O=C(c1ccc2ccccc2n1)N1CC[C@]2(CC(=O)N(c3ccccc3)C2)C1 96238379 RXWIGZDWIUXBBU-QHCPKHFHSA-N 371.440 3.504 0 40 FHAB O=C(CCc1c(F)cccc1Cl)NC1CCN(c2nccs2)CC1 96099806 QULYAHKWFMHSKH-UHFFFAOYSA-N 367.877 3.653 0 40 FHAB CCCc1ncc(CN2C[C@@H]3CCC[C@](O)(c4ccc(F)cc4)[C@H]3C2)cn1 248148461 AOMHEQYOLXBIKC-XJABCFGWSA-N 369.484 3.688 0 40 FHAB O=C(c1cnccn1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257296006 RAUSSKSTSBNTGV-SFHVURJKSA-N 366.396 3.562 0 40 FHAB Cc1cccnc1Nc1cc(C2CCN(Cc3ccnn3C)CC2)ccn1 257224450 FBWMRTDPKBSBRF-UHFFFAOYSA-N 362.481 3.642 0 40 FHAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2C[C@H]2CCCO2)S1 260758956 DQVOFCNTHZRMDZ-RGCFKVTRSA-N 368.506 3.651 0 40 FHAB O=C(NCC[C@@H](O)c1cc2ccccc2o1)c1ccc(Br)o1 96097245 ZOISXXNKUDSJBZ-LLVKDONJSA-N 364.195 3.642 0 40 FHAB CC1CC(N(C)C(=O)c2nc3c(o2)CCN([C@H](C)c2ccccc2)C3)C1 585112445 PVOOVRFBZMUBHN-ISXOHVOVSA-N 353.466 3.664 0 40 FHAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)n1 589579409 FOCDDRJVBMEXKA-WMZOPIPTSA-N 369.465 3.586 0 40 FHAB Cc1ccc(C(=O)N2CC3(C[C@@H](OCc4cccc(C)n4)CS3)C2)cc1 585105179 PSFQVJQDYVRZSG-LJQANCHMSA-N 368.502 3.615 0 40 FHAB O=C(NCc1nnc2n1CCCCC2)c1sccc1-c1ccccc1 48264892 NSQBWGSUBRCVGP-UHFFFAOYSA-N 352.463 3.663 0 40 FHAB CCn1cc(Br)c(CN(C)C(=O)c2cc(C)c(C)s2)n1 2732254 QJAKKRWEMNPBQS-UHFFFAOYSA-N 356.289 3.616 0 40 FHAB CC(C)(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)s2)C1=O 5007599 MIRSDCKWWQZVSS-RMKNXTFCSA-N 359.856 3.780 0 40 FHAB CCOc1ccc(-c2cc(C(=O)N3CCn4cccc4[C@@H]3CC)[nH]n2)cc1 12147499 BHKYMULHJRWOPT-IBGZPJMESA-N 364.449 3.884 0 40 FHAB Cc1ccc(NC(=O)NCC2(N3CCOCC3)CCC(C)CC2)cc1C 13964197 WGESFKIQLASVPD-UHFFFAOYSA-N 359.514 3.706 0 40 FHAB O=C(Nc1cccc(Cl)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 14427487 NCZYCWOULMRRKH-UHFFFAOYSA-N 360.816 3.970 0 40 FHAB Cc1cccc(NC(=N)Nc2nc(=O)c(Cc3ccccc3)c(C)[nH]2)c1C 17074433 SXXSKGLZVIEAMR-UHFFFAOYSA-N 361.449 3.745 0 40 FHAB Cc1cccc(C)c1NC(=O)CNC(=O)c1csc(-c2ccccc2)n1 17856917 GXJNRWZHLFNCJQ-UHFFFAOYSA-N 365.458 3.795 0 40 FHAB CN1CCCCC[C@@H]2[C@@H]1CCN2C(=O)CCCc1c[nH]c2ccccc12 19712170 DLBLCVUXTXWJIM-LEWJYISDSA-N 353.510 3.966 0 40 FHAB O=C(COc1ccc2ccccc2c1)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 19913615 CIQVBVNZVDDABJ-UCNVEGJOSA-N 364.489 3.551 0 40 FHAB Cc1nn(C)c2ncc(C(=O)N[C@H]3C[C@H](c4ccc(Cl)cc4)C3)cc12 526037098 ODYSBCAFQBXQLY-SAZUREKKSA-N 354.841 3.606 0 40 FHAB C[C@H](NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1F 26680862 URDIQZZIAQMPFJ-HIGJEIRPSA-N 372.484 3.726 0 40 FHAB O=C(NCCCN1CCCCC1)c1cc(Br)ccc1Cl 37977568 WRIWTGZLYHUMQT-UHFFFAOYSA-N 359.695 3.708 0 40 FHAB COCCO[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C)CC2)[C@H]1Cc1ccccc1 1565556832 ZGMJIMLVYQQMFQ-ZIBCJSCZSA-N 359.510 3.688 0 40 FHAB CCOC(=O)c1oc2ccccc2c1NC(=O)COc1ccc(F)cc1 4115454 JJGFZJWPTMPRCJ-UHFFFAOYSA-N 357.337 3.766 0 40 FHAB O=c1c2cnn(-c3cccc(Cl)c3)c2ncn1Cc1ccc(Cl)cc1 4479166 QROCACWJNNVERK-UHFFFAOYSA-N 371.227 3.937 0 40 FHAB CCOc1ccc(N2C[C@H](CNC(=O)Nc3ccc(C)cc3)CC2=O)cc1 9039470 RQHVCBZHGONXGD-INIZCTEOSA-N 367.449 3.568 0 40 FHAB CCCCOc1ccc(C(=O)Nc2c(C)nc3ccc(C)cn3c2=O)cc1 11612447 LIIYBVFQBMZRBE-UHFFFAOYSA-N 365.433 3.743 0 40 FHAB Cc1cc(C)cc(N2C(=O)[C@@H]3N=NN(c4ccc(C)c(Cl)c4)[C@H]3C2=O)c1 101260771 YNEGTWITNLBRJH-IAGOWNOFSA-N 368.824 3.763 0 40 FHAB CS(=O)(=O)c1ccccc1NC(=O)CCc1ccc(Cl)cc1Cl 40059878 JBJDWIUAFCCJKC-UHFFFAOYSA-N 372.273 3.968 0 40 FHAB CC(C)(C)NC(=O)CC1(C(=O)NCC2(c3ccccc3)CC2)CCCC1 40049115 KTIDIOSARBROEW-UHFFFAOYSA-N 356.510 3.700 0 40 FHAB Cn1c(COC(=O)c2cccnc2N2CCCC2)nc2cc(Cl)ccc21 40139462 CHZKHXDJHIHCGI-UHFFFAOYSA-N 370.840 3.579 0 40 FHAB O=C(c1csc(-c2ccco2)n1)N1CCC([C@H](O)c2ccccc2)CC1 31270570 JCTNYIZHIAKYHN-GOSISDBHSA-N 368.458 3.989 0 40 FHAB Cc1cc(COC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)no1 7833026 FHZUIEJBGJKXDF-UHFFFAOYSA-N 359.813 3.855 0 40 FHAB O=C(COC(=O)c1ccccc1SC(F)F)c1ccc2c(c1)OCO2 7863915 PNDQXOODVVUKEA-UHFFFAOYSA-N 366.341 3.770 0 40 FHAB Cc1cccc(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)c1C 7927185 UKBJLQYWHRGPMF-KRWDZBQOSA-N 358.507 3.985 0 40 FHAB CCc1cccc(CC)c1NC(=O)CSc1nncn1-c1cccnc1 890105 ZQZINGSVCUIYCC-UHFFFAOYSA-N 367.478 3.518 0 40 FHAB CC[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cccc(OC)c2)o1 882372 GSZAZNZDJNTTAU-CQSZACIVSA-N 361.467 3.628 0 40 FHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C)cc1 888171 KGNZNQGMLBUMLZ-UHFFFAOYSA-N 366.490 3.928 0 40 FHAB COC(=O)[C@@H](C)OC(=O)[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl 1747430 IYCQKPMQPNQYHM-RQJHMYQMSA-N 355.601 3.519 0 40 FHAB Cc1ccc(NC(=O)CN(C)C(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 3555523 GYEZFUAERGVHHC-UHFFFAOYSA-N 374.868 3.903 0 40 FHAB CN(C)CCN1C(=O)CC[C@@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 4705796 TZYDTPVLMWSHME-LYVQAJBDSA-N 374.569 3.658 0 40 FHAB in-vitro Cc1ccc([C@@H](CC(=O)N[C@H]2C[C@H](C)N(C)C[C@@H]2C)c2ccco2)cc1 4812403 ALGBIQNSNSQKKV-XEYPJELSSA-N 354.494 3.955 0 40 FHAB CCOc1ccc(OCCC(=O)NNc2c(F)c(F)cc(F)c2F)cc1 2618121 XVNWIDUDZLJQJZ-UHFFFAOYSA-N 372.318 3.554 0 40 FHAB CCOc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)c1 6570263 QYBPEBOYGDUNCM-UHFFFAOYSA-N 369.490 3.812 0 40 FHAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ncccc3O)o2)cc1C 6627679 AAMFSPCOUCHGID-UHFFFAOYSA-N 367.430 3.791 0 40 FHAB COc1ccc(C(C)=O)cc1CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O 6628107 MDQVNTSMDSHSKB-YEJXKQKISA-N 372.465 3.535 0 40 FHAB CNC(=O)Cc1ccccc1NC(=O)/C=C/c1ccc2cc(OC)ccc2c1 32832497 RULBTRGMBWBJLN-XYOKQWHBSA-N 374.440 3.789 0 40 FHAB O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2ccc(Cl)cc2)on1 11915667 AXZCLGGJUTVVHT-UHFFFAOYSA-N 356.765 3.654 0 40 FHAB Cc1cc(C)n(-c2cccc(NC(=O)c3cc4c(C)nn(C)c4s3)c2)n1 32915522 BWXHJGXFVDWMRG-UHFFFAOYSA-N 365.462 3.998 0 40 FHAB CCOC(=O)[C@H]1C(=O)OC(C)(C)[C@H]1[C@H](CC)C(=O)c1ccc(Cl)cc1 102757967 GYONFYNYMALABL-KKUMJFAQSA-N 366.841 3.680 0 40 FHAB CCCCCn1nc(C(=O)Oc2ccc(F)cc2)c2ccccc2c1=O 32980121 YSMMUPHMIQXMPD-UHFFFAOYSA-N 354.381 3.945 0 40 FHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N(C1=CCCCC1)C1CC1 60695765 UFFMOBOZWMBWSD-UHFFFAOYSA-N 374.790 3.969 0 40 FHAB COc1ccc(Cl)cc1NC(=O)c1nnn(-c2cccc(C)c2)c1C 2713260 HPBFHBNRMQITFD-UHFFFAOYSA-N 356.813 3.798 0 40 FHAB O=S(=O)(CCc1ccccc1)Cc1cc(Cl)c2c(c1)OCCCO2 61782934 LAWHXSVSGKTGOO-UHFFFAOYSA-N 366.866 3.659 0 40 FHAB O=C1C[C@@H](Nc2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1F 101276452 NLUUTNMHEZEZFB-CYBMUJFWSA-N 353.180 3.877 0 40 FHAB O=C(Oc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1)c1cccs1 102088946 QQQMANFNRIBDGQ-SYWGBEHUSA-N 367.426 3.503 0 40 FHAB COc1ccccc1N1C(=O)C(Cl)=C(Nc2cc(C)ccc2C)C1=O 939210 GAYXAFVSFXFCQY-UHFFFAOYSA-N 356.809 3.748 0 40 FHAB CN(c1ccccc1)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)S2 950287 TYQKUONJAJVZFJ-UHFFFAOYSA-N 355.440 3.911 0 40 FHAB O=C(CCN1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 59596906 AGVPDHOXCYOYRT-UHFFFAOYSA-N 351.446 3.943 0 40 FHAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1Cc1cccc2cccnc12 100140984 WZCOXEAZTMZUBI-IEBWSBKVSA-N 355.445 3.848 0 40 FHAB CCOc1ccc(NC(=O)COC(=O)c2cc(F)c(F)cc2Cl)cc1 3239014 SMNJODCIIFBYCX-UHFFFAOYSA-N 369.751 3.812 0 40 FHAB Cc1cc(C(=O)O)n(-c2nc(-c3ccc(Br)cc3)cs2)n1 1405120 JYGBUXYTQGPYJW-UHFFFAOYSA-N 364.224 3.765 0 40 FHAB CN(C)[C@@H](CNC(=O)c1ccc(F)cc1Br)c1ccsc1 25330816 ROOVPDHBACHQKB-AWEZNQCLSA-N 371.275 3.682 0 40 FHAB O=C(Nc1nnc(C2CC2)s1)c1csc(NCc2ccccc2)n1 44890655 UMUJCOJBCXISDD-UHFFFAOYSA-N 357.464 3.736 0 40 FHAB O=C(Nc1cc(-c2cc(Br)ccc2Cl)n[nH]1)[C@@H]1CCCO1 58247609 PFWHTXJEWHARRU-LBPRGKRZSA-N 370.634 3.610 0 40 FHAB CCc1ccc([C@@H](C)NC(=O)N2CCC(C(=O)N(CC)CC)CC2)cc1 58424010 RGDFQIJNQDSTQV-MRXNPFEDSA-N 359.514 3.600 0 40 FHAB FC(F)(F)Oc1ccc(-c2c[nH]c([C@@H]3COCCN3C3CCC3)n2)cc1 67898733 XKVOYVNBYVPTDW-INIZCTEOSA-N 367.371 3.901 0 40 FHAB biogenic,in-vitro C[C@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)NC1CCCC1 12770095 AVWAQFPYCYVWNH-JTQLQIEISA-N 351.859 3.929 0 40 FHAB Cc1cc(NC(=O)CN(C)[C@H](C)c2ccccc2)n(-c2ccc(F)cc2)n1 12767670 KNOIZYFPQNHPJU-MRXNPFEDSA-N 366.440 3.951 0 40 FHAB CCN(Cc1ccc(Cl)s1)C(=O)c1[nH]c(C)c(C(=O)OC)c1C 12798194 ORPIMEDTVSYQAN-UHFFFAOYSA-N 354.859 3.795 0 40 FHAB O=C1CCCN1CCc1nc(-c2sccc2Br)cs1 48355417 ISSJQGFYVOIVNE-UHFFFAOYSA-N 357.298 3.799 0 40 FHAB COc1ccc([C@H](O)C2CCN(C(=O)Nc3ccccc3F)CC2)cc1 12869098 SCMMHXIAZFREAB-IBGZPJMESA-N 358.413 3.812 0 40 FHAB COC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@@H]1c1ccc(C)cc1 12858275 SBEDOVVHZDTUGY-QGZVFWFLSA-N 356.447 3.770 0 40 FHAB CCCn1c(=O)n(CC(=O)N[C@H](C)c2ccc(Cl)cc2)c2ccccc21 12870234 NQZFHGAYNFGLNO-CQSZACIVSA-N 371.868 3.744 0 40 FHAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(-n2cnnn2)cc1 3459541 UUIUZNNWZLABFC-UHFFFAOYSA-N 369.428 3.823 0 40 FHAB COC(=O)CCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 3406875 WSSLSEHLIRTFDI-UHFFFAOYSA-N 363.866 3.925 0 40 FHAB Cc1nc2n(c(=O)c1Cc1ccccc1)CN(C1CC1)CN2c1ccccc1 38829874 SVLMPIWFDQGXMB-UHFFFAOYSA-N 372.472 3.674 0 40 FHAB Fc1ccc(OCCSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 5018334 KRCHWOGIHFXRHB-UHFFFAOYSA-N 360.366 3.776 0 40 FHAB O=C1/C(=C\Nc2ccc(Cl)cc2)[S@@](=O)CN1c1ccc(Cl)cc1 5253143 YWLGNKACSYFCGI-DDCFWYMVSA-N 367.257 4.000 0 40 FHAB CCc1ccc(C(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2C)cc1 14093143 DPKAGXZKOVFZLX-ZDUSSCGKSA-N 352.463 3.803 0 40 FHAB Cc1ccc(-c2n[nH]c(SCC(=O)N[C@@H](C)c3ccccc3)n2)cc1 6427044 OKMQXPZGHXWAFG-AWEZNQCLSA-N 352.463 3.750 0 40 FHAB Cc1cc(CNC(=O)CSc2nc(C)cc(C)n2)c2[nH]c(C)c(C)c2c1 65738396 QEOXXOYMHBZHST-UHFFFAOYSA-N 368.506 3.909 0 40 FHAB Cc1ccccc1C(=O)Nc1cnc2sc3cc(F)ccc3n2c1=O 14291544 DWAAGVOQWOGFFD-UHFFFAOYSA-N 353.378 3.609 0 40 FHAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(NC(C)=O)cc3)no2)cc1 8586545 KVQGUYIVUYJOHV-UHFFFAOYSA-N 365.389 3.951 0 40 FHAB CCCCCOc1ccccc1[C@H](c1c(O)n[nH]c1C)c1c(C)n[nH]c1O 4678953 UXSFUVKRBUNBSS-UHFFFAOYSA-N 370.453 3.910 0 40 FHAB COc1ccc(OC)c(NC(=S)NC(=O)/C=C/c2ccc(C)cc2)c1 4675993 FRHSJOCRHNJMNQ-DHZHZOJOSA-N 356.447 3.539 0 40 FHAB Cc1cc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)ccc1C(C)C 14632522 UERJDTRFIXOEOP-RDJZCZTQSA-N 363.454 3.960 0 40 FHAB in-vitro Cc1ccc(-n2c(C)nnc2SCC(=O)N2CCc3ccccc32)cc1 4835956 VCUBRYBHKKOVBU-UHFFFAOYSA-N 364.474 3.566 0 40 FHAB O=c1c2sccc2n(Cc2cc(F)cc(F)c2)c(=O)n1-c1ccccc1 67258004 NUPGRJZSPZXZHZ-UHFFFAOYSA-N 370.380 3.540 0 40 FHAB CC(=O)c1ccc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)cc1 8705127 OKZCOAWABBOZTH-UHFFFAOYSA-N 371.458 3.614 0 40 FHAB COC(=O)c1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 15630378 JSBQEEDUTKJQAF-UHFFFAOYSA-N 361.401 3.789 0 40 FHAB Cc1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)n1C 8985430 KSYXJERSNMEVQK-UHFFFAOYSA-N 371.444 3.511 0 40 FHAB CC1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 7376306 NCJUNCNCCVKWBY-UHFFFAOYSA-N 352.681 3.523 0 40 FHAB Cc1cc(C)cc(OCC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)c1 15860249 PQGMUTPPMAYKNG-LJQANCHMSA-N 356.466 3.537 0 40 FHAB CO[C@@H]1CCC[C@H](OC(=O)c2ccc(-n3cnc4ccccc43)nc2)C1 92814516 HBPMYGDRPWPEIY-CVEARBPZSA-N 351.406 3.535 0 40 FHAB Cc1ccc(C)c(OCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1 7759498 DGLCKRRDKKFILK-UHFFFAOYSA-N 371.824 3.702 0 40 FHAB COc1ccc(-c2csc3ncnc(NCC(=O)NC(C)(C)C)c23)cc1 9762145 KSXTWWDCDPKGIH-UHFFFAOYSA-N 370.478 3.694 0 40 FHAB C[C@H](Sc1nnnn1Cc1cccs1)c1nnc(-c2ccccc2)o1 9155539 XEQHKZQSKFBCTP-NSHDSACASA-N 370.463 3.686 0 40 FHAB O=C1C[C@@H](c2cccc(O)c2)c2c(ccc3nn(-c4ccccc4)nc23)N1 96118137 HDXUJWYXYHVJKT-INIZCTEOSA-N 356.385 3.600 0 40 FHAB C[C@H](NC(=O)CSc1nc(-c2ccccc2F)n[nH]1)c1cccs1 9447420 MLBOJXHLNFEOQR-JTQLQIEISA-N 362.455 3.642 0 40 FHAB Cc1ccc(-c2ccsc2C(=O)Nc2cccc(-n3cnnn3)c2)cc1 9453429 ZGFWOLLOSGCXLQ-UHFFFAOYSA-N 361.430 3.952 0 40 FHAB Cc1ccc2nc(NC(=O)CSc3nnc4n3CCCCC4)sc2c1 9512759 KBXKTHSZCPQIRE-UHFFFAOYSA-N 373.507 3.653 0 40 FHAB COc1ncccc1CNC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 83915325 OIEUFJQXNJDMIP-UONOGXRCSA-N 350.340 3.529 0 40 FHAB O=C(Cn1ccc2c(Cl)cccc21)NC[C@@H]1CCCN2CCCC[C@H]12 79190306 JOQAECZPCJTBBX-MAUKXSAKSA-N 359.901 3.675 0 40 FHAB biogenic C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)c2ccc(F)cc2Br)C1 95940619 NXNNGXCDBNAKJN-PIGZYNQJSA-N 372.278 3.895 0 40 FHAB CC[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1ccccc1 23019570 UZXVPNAGPSETFS-SJLPKXTDSA-N 370.518 3.910 0 40 FHAB COc1cccc(OC(=O)CSc2nnc(-c3cccc(C)c3)o2)c1 21790552 VDXHUAFCLBQYNN-UHFFFAOYSA-N 356.403 3.751 0 40 FHAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc2c(c1)OCCO2 22237525 AUGYCURHOYTLOU-UHFFFAOYSA-N 353.403 3.537 0 40 FHAB Cc1ccc2[nH]cc(CCC(=O)N3CCOc4cccc(F)c4C3)c2c1 513125345 CYATYXCYDFCCNA-UHFFFAOYSA-N 352.409 3.969 0 40 FHAB O=C(O)COc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc1 211506901 OMPIWGFWOSEZGA-DHDCSXOGSA-N 371.370 3.509 0 40 FHAB Cc1ccccc1Oc1cccc(C2CCN(C(=O)c3cnccn3)CC2)n1 72383800 ZMXXYLOUXZZWHM-UHFFFAOYSA-N 374.444 3.992 0 40 FHAB C=CC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)[C@@H](C)CC(=O)N3C)cc1 1530796201 UFDVLXHBXSCSQG-ZDUSSCGKSA-N 363.417 3.533 0 40 FHAB O=C(c1cc[nH]n1)N1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 72359019 LNIDYUSJMSLZCD-CQSZACIVSA-N 367.840 3.540 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)COc2cccc3ccccc23)cc1 218912140 NCEQEPLATJWKJY-INIZCTEOSA-N 365.429 3.811 0 40 FHAB O=C(NCc1ccccc1)[C@@H]1CCCN(c2nc3ccccc3s2)C1 35291221 VQAYOPRGXAVALY-MRXNPFEDSA-N 351.475 3.829 0 40 FHAB CCc1noc(-c2ccc(OCC(=O)Nc3ccccc3CC)cc2)n1 33012646 FHHZAQKZGVRZRK-UHFFFAOYSA-N 351.406 3.879 0 40 FHAB CC(=O)Nc1ccc(OC(=O)Cc2c(C)nn(-c3ccccc3)c2C)cc1 32744474 DBHFORIPKIKOID-UHFFFAOYSA-N 363.417 3.596 0 40 FHAB O=C(c1cc2sccc2n1Cc1ccccc1Cl)N1CCOCC1 37526157 YIZGZOIWDUMRJJ-UHFFFAOYSA-N 360.866 3.877 0 40 FHAB Cc1cccc(OCCNC(=O)COc2ccc3c(c2)CCCC3)c1C 223966383 PICKWQDGQTUHTC-UHFFFAOYSA-N 353.462 3.756 0 40 FHAB O=C(Cn1ccc(=O)c2ccccc21)NC(c1ccccc1)c1ccccc1 225721144 JHYQGQIHNJXVSY-UHFFFAOYSA-N 368.436 3.907 0 40 FHAB CCOC(=O)C1CCN(C(=O)CCc2c(Cl)cccc2Cl)CC1 225349773 BJJGSNGUCNGIQU-UHFFFAOYSA-N 358.265 3.728 0 40 FHAB O=C(c1ccc(Br)cc1)c1ccccc1CN1CCOCC1 43211440 XYCXIHABRLSHGU-UHFFFAOYSA-N 360.251 3.512 0 40 FHAB CC(C)Sc1nnc(NS(=O)(=O)Cc2ccccc2Cl)s1 224569610 ZVVGTWSNXANLFH-UHFFFAOYSA-N 363.917 3.634 0 40 FHAB C[C@@H]1[C@@H](OC(=O)c2cccc(N3C(=O)CCC3=O)c2)C[C@@H]2C[C@H]1C2(C)C 195533919 IGPLREQKGCQVKF-SDNTUTLCSA-N 355.434 3.568 0 40 FHAB Cc1noc(-c2cccnc2SCC(=O)Nc2cccc(C)c2C)n1 49406976 YSJCFKTUHYHNDN-UHFFFAOYSA-N 354.435 3.788 0 40 FHAB CC(C)CSc1nnc(NC(=O)COc2cccc(Cl)c2)s1 223235345 NJWAYSKUJHPCPE-UHFFFAOYSA-N 357.888 3.957 0 40 FHAB CCCCC(=O)Nc1cccc(OCc2cc(=O)n3c(C)csc3n2)c1 41085713 KZCKXRUXCVYMHJ-UHFFFAOYSA-N 371.462 3.772 0 40 FHAB C[C@H](NC(=O)Cn1ccc(=O)c2cc(F)ccc21)c1ccc(Cl)cc1 225752980 NCOJMNBRCJVPRH-LBPRGKRZSA-N 358.800 3.671 0 40 FHAB CCOC(=O)c1cc(NC(=O)C(Cl)(Cl)Cl)ccc1OCC 225783577 NAFUDGXLCABYGC-UHFFFAOYSA-N 354.617 3.571 0 40 FHAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCOc1cccc(OC)c1 224467575 XWOYAAKTWZANET-IBGZPJMESA-N 357.450 3.665 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 222583163 FCFHDQRJMNBVPK-UHFFFAOYSA-N 365.867 3.968 0 40 FHAB Cc1ccc(OC[C@H](C)NC(=O)Cc2cccc(Br)c2)cc1 225621075 YTQLZGFHOPEVLG-AWEZNQCLSA-N 362.267 3.884 0 40 FHAB CC(C)NC(=O)c1cc2c(c3ccccc3n2CC2CC2)n1C(=O)N(C)C 96146510 DKHPNEHNGIDTRD-UHFFFAOYSA-N 366.465 3.674 0 40 FHAB Cc1nccc(C(=O)N2CCC[C@@H](Cc3ccc4ncccc4c3)CC2)n1 257231555 GHGCJQXMLTVWCV-QGZVFWFLSA-N 360.461 3.818 0 40 FHAB CN(CC1=CCCCC1)C1CCC2(CC1)CNC(=O)c1ccccc1O2 257240978 HWAVRFZNNJMNFI-UHFFFAOYSA-N 354.494 3.922 0 40 FHAB O=C(O)CC1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 521396598 NCRJFSYKAMMNSS-UHFFFAOYSA-N 351.402 3.780 0 40 FHAB CCO[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]4OB(O)O[C@H]4C[C@H]32)C1 263606806 RHGZNNOBMYWNIZ-CAEUEGMUSA-N 362.319 3.805 0 40 FHAB O[C@]1(Cn2cc(Br)c(-c3ccc(Cl)cc3)n2)CCCOC1 656699204 ZFIPLMHMKLOYLT-HNNXBMFYSA-N 371.662 3.508 0 40 FHAB Cc1cnc([C@@H](C)N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)o1 679432275 CWLUOQPLSRUTNV-GDBMZVCRSA-N 371.485 3.775 0 40 FHAB CC/C(C)=C/C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1[C@@H]2CCCC[C@@H]12 1775990651 GSIQIMIBKVIXCW-UXEYLNFDSA-N 358.526 3.665 0 40 FHAB C[C@@H](NC(=O)c1ncc(C(N)=O)cc1Cl)c1ccc(F)c2ccccc12 1329412388 HXXUPPGNYIDCFA-SNVBAGLBSA-N 371.799 3.617 0 40 FHAB O=C1CC[C@@]2(CCCN(CC3CC(F)(F)C3)CC2)N1Cc1cncs1 585100723 USFUSGJWYRTPSX-QGZVFWFLSA-N 369.481 3.536 0 40 FHAB Cc1cc(C)cc(C(=O)N2CCC3(CCN(CC4CCC4)C(=O)C3)CC2)c1 585102523 AAEJHAZWBXLBSY-UHFFFAOYSA-N 368.521 3.948 0 40 FHAB O=C1OCC[C@H]1NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 57293265 IYPVYUWXWJFWSS-DNVCBOLYSA-N 354.837 3.858 0 40 FHAB O=C(Nc1ccn(CCc2ccccn2)n1)c1cccc(Br)c1 51418169 JKVXMAHXGDCGNV-UHFFFAOYSA-N 371.238 3.536 0 40 FHAB CC1(C)C[C@@]2(CCCN2C(=O)Cc2cccnc2)CN1c1cccc(F)c1 1615157422 NPBRGYKVSPDZTI-QFIPXVFZSA-N 367.468 3.813 0 40 FHAB COc1ccc(-c2cccc(NC(=O)c3cc4ccccc4oc3=O)c2)nn1 5259519 LGPFYJLTEZXNEV-UHFFFAOYSA-N 373.368 3.511 0 40 FHAB O=C(Cc1ccc2c(c1)OCO2)N[C@@H](Cc1ccsc1)c1nccs1 12226604 FROCBPIYACTIDE-AWEZNQCLSA-N 372.471 3.576 0 40 FHAB NC(=O)[C@H](OC(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1 12823046 CBTKARSDTWCTNK-OAQYLSRUSA-N 359.381 3.898 0 40 FHAB Cc1ccc(-c2noc(CCC(=O)N[C@H](C)c3ccc(F)cc3)n2)cc1 17916587 TTZVAOFXIJZGBU-CQSZACIVSA-N 353.397 3.994 0 40 FHAB Cn1nc(C(F)(F)F)cc1C(=O)Nc1nc2c(s1)CCCCCC2 19288804 UKJJCHWCLKMXDL-UHFFFAOYSA-N 358.389 3.807 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)c1nnc(NC(=O)[C@]2(C)CCCO2)s1 19459910 GQUUGTHALAEFMO-HWPZZCPQSA-N 367.858 3.839 0 40 FHAB Cc1cc(-c2cnc(N)nc2)cc(C2CCN(Cc3ccccc3)CC2)n1 19691960 VQVSPVDEHACJSF-UHFFFAOYSA-N 359.477 3.809 0 40 FHAB O=C(CCc1ccc(Cl)c(Cl)c1)N1CC(N2C[C@@H]3CCC[C@H]3C2)C1 1889250140 FHIQBMPIVYMRDL-GJZGRUSLSA-N 367.320 3.869 0 40 FHAB Fc1cccc(CSc2nnc(-c3cnccn3)n2Cc2ccco2)c1 16807834 YGHBWKPTVFUAMP-UHFFFAOYSA-N 367.409 3.808 0 40 FHAB CCOC(=O)[C@@H]1C(=O)OC(C)(C)[C@@H]1[C@H](CC)C(=O)c1ccc(Cl)cc1 4694371 GYONFYNYMALABL-RRFJBIMHSA-N 366.841 3.680 0 40 FHAB COc1ccc(OC)c(-c2nc(O)c3c(n2)Oc2ccc(C)cc2C3)c1 6748512 XHBHJWHACYDJPX-UHFFFAOYSA-N 350.374 3.871 0 40 FHAB Cn1nc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)ccc1=O 10325328 DGQRODOVMAEGJO-UHFFFAOYSA-N 355.397 3.853 0 40 FHAB Cc1ccsc1CN1CCC[C@@](Nc2ccccc2)(C(=O)N(C)C)C1 2055751039 AYIKWDGQZULSAZ-FQEVSTJZSA-N 357.523 3.591 0 40 FHAB CCCN1CCCc2cc(CCNS(=O)(=O)c3cccc(C)c3)ccc21 35588128 FPULCTNZXPFFJU-UHFFFAOYSA-N 372.534 3.679 0 40 FHAB COc1ccc(-c2nnc(NC(=O)c3cccc(Br)c3)o2)cc1 4276066 AHNCCSXSICTHOK-UHFFFAOYSA-N 374.194 3.760 0 40 FHAB Cc1c(NC(=S)NC(=O)c2ccc3ccccc3c2)cccc1C(=O)O 6571314 FVYAACGECIWJMI-UHFFFAOYSA-N 364.426 3.973 0 40 FHAB O=C(c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)N1CCc2ccccc21 40140190 SMBPIWHYNITVHA-UHFFFAOYSA-N 365.383 3.842 0 40 FHAB COC[C@H](C)N(C)C(=O)CSc1cc(C)c(Br)cc1C 40145774 WEXREAIMFWAACL-LBPRGKRZSA-N 360.317 3.651 0 40 FHAB CSc1cccc(NC(=O)COC(=O)c2ccc(F)c(Cl)c2)c1 51354040 ZIHOLIWJTGCCHR-UHFFFAOYSA-N 353.802 3.997 0 40 FHAB COc1cc(NC(=O)CNc2ccccc2Br)cc(OC)c1 11621194 FDVOGVFCDCOIOY-UHFFFAOYSA-N 365.227 3.517 0 40 FHAB FC(F)(F)c1cc(-c2ccc3c(c2)OCCO3)nc2c(Cl)cnn12 20616530 GHADNQQHSFHHFJ-UHFFFAOYSA-N 355.703 3.840 0 40 FHAB CC(C)C[C@@H](OC(=O)c1ccc(Cl)nc1)C(=O)NC1CCCCC1 1328752 PXOMFDKIMGUFRW-OAHLLOKOSA-N 352.862 3.755 0 40 FHAB COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C)c(F)c2)cc1 1379836 DTIXCTHLXKZMNZ-GOSISDBHSA-N 371.412 3.778 0 40 FHAB Cc1nc(CSCC(=O)Nc2nc(-c3cccnc3)cs2)cs1 9313742 RJOVDPVAYOTZBD-UHFFFAOYSA-N 362.505 3.842 0 40 FHAB O=C(CCn1c(-c2ccccc2)cc2ccccc21)NCCc1c[nH]cn1 20735383 DOTHTWKHMHRVFV-UHFFFAOYSA-N 358.445 3.780 0 40 FHAB O=Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 3386962 FFKWBDTXWZRSSV-UHFFFAOYSA-N 352.173 3.601 0 40 FHAB O=C(c1cccs1)N1CCN(c2nc3c(Cl)cccc3s2)CC1 4583491 IXUISAVVJGBYEV-UHFFFAOYSA-N 363.895 3.974 0 40 FHAB CCc1cc2cc3c(cc2nc1SCC(=O)N(CC)CC)OCCO3 4849573 HIFTYMBCLARFJU-UHFFFAOYSA-N 360.479 3.529 0 40 FHAB COc1ccc(-c2noc([C@H](C)NC(=O)c3ccccc3C)n2)cc1OC 4998154 LOPDRPZUPXMAJN-ZDUSSCGKSA-N 367.405 3.553 0 40 FHAB CCCCn1nnnc1NCc1cccc(OC)c1OCc1ccccc1 7262209 XOOVWESWKKTVKN-UHFFFAOYSA-N 367.453 3.673 0 40 FHAB C=CCOc1ccc(/C=C(\Sc2nnc(C)o2)C(=O)O)cc1OCC 7603790 MQNUAYBDONHZMP-GDNBJRDFSA-N 362.407 3.559 0 40 FHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccccc2OC)CC1=O 7928226 UQBSOIKHKXEBLA-KRWDZBQOSA-N 366.461 3.812 0 40 FHAB C[C@@H](NC(=O)[C@@H]1[C@H]2CC[C@@]3(CC(=O)c4ccccc4O3)[C@@H]21)c1ccccc1 100124486 MTUYDFNNRNSSRA-OJEZNDAVSA-N 361.441 3.924 0 40 FHAB COc1ccc(NC(=O)CN(C)C(=O)CCSc2ccc(C)cc2)cc1 8313414 UZUWJUHYXWFVFJ-UHFFFAOYSA-N 372.490 3.583 0 40 FHAB CCOc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)cc1 8959889 SKUIWSQYUFBTKV-UHFFFAOYSA-N 354.406 3.695 0 40 FHAB CCc1c(C)sc2ncn3nc(Cn4nc(C(F)F)cc4C)nc3c12 2789983 KMNHULRPOWZEML-UHFFFAOYSA-N 362.409 3.701 0 40 FHAB CCc1ccc([C@](O)(CC)[C@H](CN2CCOCC2)c2ccccc2)cc1 20440956 YLDGIIMMCYOGNH-DHIUTWEWSA-N 353.506 3.963 0 40 FHAB Cc1ccc(CNC(=O)c2ccccc2I)cc1 682219 KCPZAQBMRRPIPJ-UHFFFAOYSA-N 351.187 3.530 0 40 FHAB COC(=O)c1ccc(NC(=O)C2=C(c3ccccc3)SCCO2)cc1 12390108 CJTHAOHHYQRPDQ-UHFFFAOYSA-N 355.415 3.544 0 40 FHAB CCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)C1CC1 12321413 FSELJQRBRMGPLB-UHFFFAOYSA-N 360.479 3.696 0 40 FHAB COc1ccc(Oc2c(C)oc3cc(OC(=O)N(C)C)ccc3c2=O)cc1 703834 XFJLTAHVTHNIFQ-UHFFFAOYSA-N 369.373 3.963 0 40 FHAB biogenic CCOc1ccc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)cc1 21821518 UOHNFYMMAAOFON-UHFFFAOYSA-N 359.369 3.583 0 40 FHAB COc1ccc(C(=O)Nc2ccc(-n3nc(C)cc3C)c(F)c2)c(OC)c1 47409183 RATRSTPDXXQEPN-UHFFFAOYSA-N 369.396 3.898 0 40 FHAB Cc1ccccc1-c1noc(CN2CCN(Cc3ccccc3F)CC2)n1 23259367 FSQVEEXPTIFZIB-UHFFFAOYSA-N 366.440 3.502 0 40 FHAB CC1CCN(c2ccc(NC(=O)[C@H](C)NC(=O)c3cccs3)cc2)CC1 54320423 WGMXCOMFOQXSBH-HNNXBMFYSA-N 371.506 3.741 0 40 FHAB CC(C)(C)c1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1 1018862 JSRLFUWUFNRXBQ-UHFFFAOYSA-N 364.452 3.814 0 40 FHAB CCCOc1ccc(C(F)(F)F)cc1NCC(=O)Nc1cc(C)no1 24249806 ZHOMXQJAHULDDW-UHFFFAOYSA-N 357.332 3.841 0 40 FHAB C[C@@H](NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 106071838 DKMWYGWJLCFGPZ-WXSAJPJJSA-N 355.482 3.869 0 40 FHAB Cc1cc(C)n(CCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)n1 25059725 QSOYZNUJZWRRLD-UHFFFAOYSA-N 362.405 3.930 0 40 FHAB Cc1ccccc1Cn1cc(NC(=O)c2ccc(Br)o2)cn1 27920367 APZIOQMUIIBLCB-UHFFFAOYSA-N 360.211 3.848 0 40 FHAB Cc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCCC1=O 20111960 ZUEBUNVWSWOIOR-UHFFFAOYSA-N 364.854 3.576 0 40 FHAB C[C@@H](c1nnc(-c2ccccc2)o1)N1CCN(c2ccccc2F)CC1 57352366 UJWOFOZSIMKBDW-HNNXBMFYSA-N 352.413 3.759 0 40 FHAB CCOC(=O)Nc1cccc(C(=O)OCc2nnc(-c3cccs3)o2)c1 12569029 BEQQIHFAIVJYAH-UHFFFAOYSA-N 373.390 3.724 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc(N(C)C)cc1 3262206 AFXWCBUMRUKBMN-UHFFFAOYSA-N 354.450 3.980 0 40 FHAB NC(=O)N1CC=C(c2ccc(Oc3ncnc4sccc34)cc2)CC1 10044452 YKXUZARTSBKEKP-UHFFFAOYSA-N 352.419 3.651 0 40 FHAB Cc1c(Br)c(C(=O)Nc2ccc(Br)cc2)nn1C 28226710 MUWZVPUJSUEMBT-UHFFFAOYSA-N 373.048 3.506 0 40 FHAB O=C(COC(=O)c1c(F)cccc1Cl)NCc1ccc(Cl)cc1 3230227 DIHSDXZONSHYIF-UHFFFAOYSA-N 356.180 3.606 0 40 FHAB CN(Cc1cccc(NC(=O)Cc2cccc(F)c2)c1)C(=O)C(F)(F)F 25965139 SJOCEYOLEPVSPE-UHFFFAOYSA-N 368.330 3.528 0 40 FHAB CCN(C[C@H]1CCOC1)C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 58213942 VHLMBLXXZXKAIK-QGZVFWFLSA-N 366.461 3.746 0 40 FHAB Cn1ccnc1[C@H](NC(=O)Nc1ccc(F)cc1F)c1ccc(F)cc1 12604491 CQDNOMRNPGSUEO-MRXNPFEDSA-N 360.339 3.749 0 40 FHAB CC(=O)c1cccc(OCC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c1 68785354 LPIKIEIKZSBTGP-FQEVSTJZSA-N 365.433 3.658 0 40 FHAB Cc1c(C)c(C)c(S(=O)(=O)N(C[C@H](C)O)c2ccccc2)c(C)c1C 58377170 BDSMPKMQIAWTNT-ZDUSSCGKSA-N 361.507 3.805 0 40 FHAB C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2F)C1 58424718 NJEPBOXJFPPUAQ-MGPQQGTHSA-N 374.909 3.505 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cnc(Cl)c(Cl)c1 3318587 IPCFHDZQEVZZLX-JTQLQIEISA-N 365.216 3.523 0 40 FHAB O=C(COC(=O)c1cccc(Oc2ccccc2)c1)NCc1ccco1 3317878 WKNKZFYGYCOZIL-UHFFFAOYSA-N 351.358 3.545 0 40 FHAB C[C@H](OC(=O)[C@H]1Oc2ccccc2O[C@@H]1C)C(=O)c1c[nH]c2ccccc12 10954567 YRRDNRIGESUULH-RDXCRGQUSA-N 365.385 3.511 0 40 FHAB CCn1c(SCc2cccs2)nnc(NCc2ccc(C)cc2)c1=O 28538098 ZIMHMUGRRIQBSK-UHFFFAOYSA-N 372.519 3.933 0 40 FHAB COC(=O)CCC(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 12739296 OZBFTSGCENPGRE-UHFFFAOYSA-N 356.403 3.980 0 40 FHAB C[C@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)c1ccccc1Cl 12736959 PTQSFQMSYAEXIQ-UONOGXRCSA-N 360.841 3.832 0 40 FHAB COc1cccc2c1N(CC(=O)Nc1ccc(N3CCCC3)cc1)CCC2 48261175 SEZWXMUXXRQYTI-UHFFFAOYSA-N 365.477 3.687 0 40 FHAB Cc1nnc(SCC(=O)NCCC2=CCCCC2)n1-c1ccccc1 3405838 YUCMGIACWKGLQO-UHFFFAOYSA-N 356.495 3.675 0 40 FHAB Cc1ccc(-n2nnc(C(=O)OCc3coc(-c4ccccc4)n3)c2C)cc1 62560811 ZWYIZXKKQXHNNM-UHFFFAOYSA-N 374.400 3.896 0 40 FHAB CCOc1ccccc1N1C[C@H](C(=O)Nc2cc(F)ccc2C)CC1=O 3566262 VCNAGNQQAIIUOO-CQSZACIVSA-N 356.397 3.524 0 40 FHAB CC(=O)N[C@H](CC(=O)N(C)Cc1c(F)cccc1Cl)c1ccccc1 3534418 XMCJORNKTPQCKL-GOSISDBHSA-N 362.832 3.705 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)COc1ccc(F)c2c1C(=O)C[C@@H]2C 12904000 JZKDQOMYSJJDKV-STQMWFEESA-N 371.408 3.780 0 40 FHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(C)c(C(F)(F)F)c1 14094444 FYTQJLNMKZGYNC-UHFFFAOYSA-N 371.380 3.978 0 40 FHAB CC[C@@H]1CCCCN1C(=O)CCNC(=O)Cc1ccc(C(F)(F)F)cc1 65512667 UQLOHFMMCJBDQQ-MRXNPFEDSA-N 370.415 3.545 0 40 FHAB CC(C)c1nnc(SCC(=O)N2CCCc3ccccc32)n1C1CC1 14136092 KYSJFKLQYIDREJ-UHFFFAOYSA-N 356.495 3.808 0 40 FHAB Cn1c(S[C@@H](C(=O)N2CCCC2)c2ccccc2)nnc1-c1ccco1 5505511 WTZAFYJZLCPLTJ-MRXNPFEDSA-N 368.462 3.531 0 40 FHAB Cc1c(C)n(Cc2cccnc2)c2ncn3nc(-c4cccs4)nc3c12 6719345 ULXKRWUPKUQMQK-UHFFFAOYSA-N 360.446 3.868 0 40 FHAB O=C(Nc1ccccc1Cl)c1nn(-c2ccc(Cl)cc2)ccc1=O 6756462 UQPGPUBNJJEYAV-UHFFFAOYSA-N 360.200 3.792 0 40 FHAB C[C@H]1CCCC[C@@]12NC(=O)N(Cc1csc(-c3ccc(F)cc3)n1)C2=O 14845286 CZVXIMRRDCLQPH-HXPMCKFVSA-N 373.453 3.950 0 40 FHAB Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1cc2ccccc2o1 15018982 RWJWSRYKLABGPP-UHFFFAOYSA-N 364.430 3.959 0 40 FHAB CC(C)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1-c1ccccc1 6993528 NQRMWTDYQLMXBC-OAHLLOKOSA-N 366.490 3.940 0 40 FHAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCc2ccccc2)cc1 7070793 RCVXYHBLSPZFMI-UHFFFAOYSA-N 352.463 3.623 0 40 FHAB Cc1nnc(SCc2cc3c(cc2Br)OCCO3)s1 7192644 PPSBVLOJFBWFCO-UHFFFAOYSA-N 359.270 3.673 0 40 FHAB C[C@H](OC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)N1CCCC1 7654777 NKCOEAZPYFIALY-VIFPVBQESA-N 355.818 3.862 0 40 FHAB COc1ccc(CNC(=O)CN(C)[C@H](C)c2nc3ccccc3s2)cc1 7922372 MYWXQVGGCFVLIL-CQSZACIVSA-N 369.490 3.614 0 40 FHAB O=C(CSc1ccc(Cl)cc1)Nc1ccnn1Cc1ccncc1 7988081 NVJRMWABXYJDBZ-UHFFFAOYSA-N 358.854 3.711 0 40 FHAB C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)N4CCCCCC4)cc3)C(=O)[C@H]2C1 408676045 CRNGCENUBPXFLT-LZQZEXGQSA-N 368.477 3.628 0 40 FHAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1Cl 9315243 VYMJHHOQMZNUGK-QGZVFWFLSA-N 372.852 3.887 0 40 FHAB Cc1nc(C)c(C(=O)Nc2cccc(I)c2)s1 9363928 QIYIJWQORAWWKE-UHFFFAOYSA-N 358.204 3.617 0 40 FHAB C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)NC[C@H](C)c1ccccc1 9450866 CLYLKGRRCBIQGM-GJZGRUSLSA-N 366.490 3.872 0 40 FHAB Cc1nn(C)c2c1[C@@H](c1ccccc1OCc1ccccc1F)CC(=O)N2 96335696 PVHPXFICQIPNFE-MRXNPFEDSA-N 365.408 3.921 0 40 FHAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCCc1c(Cl)cccc1Cl 71822634 DSAFCKIMONQDDH-APPDUMDISA-N 366.244 3.881 0 40 FHAB CCc1ccc(/C=C\C(=O)N(CC)Cc2nc3ccccc3c(=O)[nH]2)cc1 96904514 JKTPKQKIRZNGNJ-YPKPFQOOSA-N 361.445 3.547 0 40 FHAB COC(=O)[C@@H]1CCCN1c1nc(C2CC2)nc2sc3c(c12)CCCC3 97104022 VCGDFKXALWGZMW-ZDUSSCGKSA-N 357.479 3.589 0 40 FHAB O=C(c1ccoc1)N1CCC(N[C@H](c2ccccc2)c2ccccn2)CC1 95419294 JXIUCWWYELNAGZ-OAQYLSRUSA-N 361.445 3.658 0 40 FHAB C[C@@H](NC(C)(C)CNC(=O)c1csc(NC2CC2)n1)c1ccccc1 78995651 MYMMBCAVKFFYMN-CYBMUJFWSA-N 358.511 3.577 0 40 FHAB COCc1cc(N2CCCCC[C@@H]2/C=C/c2ccccc2)n2ncnc2n1 95945016 BYDCLKOWIDEARP-TZZQJPOUSA-N 363.465 3.733 0 40 FHAB Cc1nc(COc2ccc(CNCC3([C@H](O)C(C)C)CC3)cc2)cs1 95989211 MYVDYPQRJJUTFQ-LJQANCHMSA-N 360.523 3.917 0 40 FHAB CC(C)n1cc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cn1 75105730 FLGVSKJGXIJTED-UHFFFAOYSA-N 364.405 3.834 0 40 FHAB O=C(c1ccccc1)C1CCN(C(=O)c2cc(Cl)c3c(c2)OCO3)CC1 25681150 UUQPHZSVYURFTP-UHFFFAOYSA-N 371.820 3.804 0 40 FHAB CC(C)CCc1noc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)n1 60086162 QTKZGQSYLPAYAP-UHFFFAOYSA-N 367.236 3.723 0 40 FHAB COc1ccc(NC(=O)NCCOc2cccc(C)c2)cc1OC(F)F 31032061 MUFKCWHZDIPMDV-UHFFFAOYSA-N 366.364 3.806 0 40 FHAB CN(C)c1cc2[nH]c(O)nc2cc1NC(=O)Cc1cccc2ccccc12 408532470 MUYLEEFLSCJCQQ-UHFFFAOYSA-N 360.417 3.669 0 40 FHAB CCc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2ccc(F)cc2)n1 72378850 DWYUDXQHHZSBMW-GOSISDBHSA-N 364.424 3.946 0 40 FHAB O=C(NCc1ccccc1CN1CCCC1)c1ccccc1Br 30555699 CTUVIJABOBCILT-UHFFFAOYSA-N 373.294 3.975 0 40 FHAB Oc1ccc2c(c1)OCCN(c1nnc(-c3ccccc3Cl)s1)C2 561384269 XWDRDWPDZDTFTE-UHFFFAOYSA-N 359.838 3.963 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 223718202 LTFQTTQGMVYUHQ-INIZCTEOSA-N 372.896 3.744 0 40 FHAB COCc1cccc(NC(=O)COc2nn(-c3ccccc3)cc2Cl)c1 227152203 ZOFOGYQLXQVLQZ-UHFFFAOYSA-N 371.824 3.690 0 40 FHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOCc1ccccc1 225144383 KABIJSYESGWXFY-KRWDZBQOSA-N 353.462 3.666 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 224777471 SEHSQXNDFKRBBQ-INIZCTEOSA-N 372.896 3.826 0 40 FHAB C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 43842497 VEHBMHATOONOLM-STQMWFEESA-N 361.825 3.756 0 40 FHAB COc1ccc(OCCNC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 225156708 ARFHDRPNUMQYAK-INIZCTEOSA-N 369.461 3.537 0 40 FHAB Cn1c(=O)sc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc21 225037874 ROEACZKMOLBHFV-UHFFFAOYSA-N 370.455 3.554 0 40 FHAB CCOc1ccc(C(=O)N2CCN(C)CC2)cc1CSc1ccccc1 224655328 DMSVQMAMKHCRIY-UHFFFAOYSA-N 370.518 3.765 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cnc(Cc3ccccc3)nc2C)cc1 225794696 HYEQWFXVLXBXKK-UHFFFAOYSA-N 360.417 3.587 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 224267616 RMXDXKBVNKEZLU-NRFANRHFSA-N 366.505 3.789 0 40 FHAB CCOC(=O)c1cc(NC(=O)[C@](C)(CC)OCC)ccc1OC(C)C 225816775 RDNWJWPRINZHTE-IBGZPJMESA-N 351.443 3.794 0 40 FHAB CC(=O)Nc1ccc(CC(=O)NCc2cccnc2-c2ccsc2)cc1 225646192 COYRWJFGLQSMLN-UHFFFAOYSA-N 365.458 3.627 0 40 FHAB O=C(COc1cccc2c1CCCC2)NCCOc1ccc(Cl)cc1 225110795 DRTIMUQCPXXPRO-UHFFFAOYSA-N 359.853 3.793 0 40 FHAB O=C(c1cccs1)N1CCC2(CCN(Cc3ccccn3)CC2)CC1 96047209 GZNRLCLXTJMIPO-UHFFFAOYSA-N 355.507 3.662 0 40 FHAB Cc1ccc(C(=O)NC2CCN(c3cc(-c4cccs4)n[nH]3)CC2)cc1 98212812 JBSOUPZFHZMXCZ-UHFFFAOYSA-N 366.490 3.845 0 40 FHAB CN(C)C(=O)C[C@@H]1CC2(CCN(C(=O)C3CCCC3)CC2)c2ccccc21 96242063 OVNDBNKOEYQJRG-GOSISDBHSA-N 368.521 3.703 0 40 FHAB CC(=O)N[C@@H]1C[C@H](c2ccc(N3CCCCC3)cc2F)O[C@@H]2CCC[C@@H]12 257284277 PCACOVXCJLTPPI-OYNPSCLESA-N 360.473 3.951 0 40 FHAB CC(C)N1CCC[C@H](c2cnc(N3CC4(CCCCC4)OC3=O)cn2)C1 257208975 BOIYIJKZKYKYIB-INIZCTEOSA-N 358.486 3.724 0 40 FHAB CCC[C@@H](NC(=O)N1CCOc2cc(OC)ccc2C1)c1ccccn1 670013394 KLDJLZRMWQEIGU-GOSISDBHSA-N 355.438 3.536 0 40 FHAB CCOc1ccc(NC(=O)COC(=O)c2ccc(C)s2)cc1OCC 5110962 UTVQDQJTJJZSOJ-UHFFFAOYSA-N 363.435 3.649 0 40 FHAB CCOc1ccc(-n2c(C)nc3ccc(Br)cc3c2=O)cc1 5475702 YTEVVWISCKWHMK-UHFFFAOYSA-N 359.223 3.855 0 40 FHAB Cc1ccc(CNC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 12772002 KOMLWOSDCJRTTD-UHFFFAOYSA-N 357.885 3.676 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 15992122 OZPCDONNWFORQE-INIZCTEOSA-N 356.853 3.678 0 40 FHAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O 17072801 JCYQJCDGWABURO-XXHBBNRNSA-N 350.827 3.635 0 40 FHAB COc1ccccc1[C@]1(O)CCC[C@@H]2CN(Cc3cccc(O)c3)C[C@@H]21 19569224 LZHQUJSFDRRAFA-PIPMEXSNSA-N 353.462 3.521 0 40 FHAB CC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)Nc3cccc(-n4cccn4)c3)c2C1 19661514 SGVBBVOUNPSNMY-CQSZACIVSA-N 363.465 3.999 0 40 FHAB O=S(=O)(NCc1ccccc1)c1ccc(Br)cc1Cl 7308275 FAOPWXRMUJFOCP-UHFFFAOYSA-N 360.660 3.581 0 40 FHAB CSc1nc(C)cc(N2CC(n3c(C4CC4)nc4ccccc43)C2)n1 1889201618 YIZVDTRAVDQMNP-UHFFFAOYSA-N 351.479 3.795 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@H](C)c2cccc(Br)c2)cc1 20029850 RUKNEMYBQMDVIE-GFCCVEGCSA-N 354.269 3.797 0 40 FHAB CS(=O)(=O)c1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1 4304815 FSISUBHKLZISFA-UHFFFAOYSA-N 354.353 3.507 0 40 FHAB O=c1c(=O)n(-c2cccc3ccccc23)ccn1Cc1cccc(Cl)c1 4569893 OYUIMMPOORSBMC-UHFFFAOYSA-N 362.816 3.854 0 40 FHAB CCn1/c(=N\C(=O)c2ccc(OC)c(OC)c2)sc2cc(F)ccc21 12180888 ICMJJRRWMSAXTH-CZIZESTLSA-N 360.410 3.620 0 40 FHAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCS[C@@H](c2ccco2)CC1 219367463 YGDGOICDOATTDH-LJQANCHMSA-N 367.474 3.845 0 40 FHAB O=C(Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2)NC1CCCCC1 38489867 MOUDRKREUSXYJA-UHFFFAOYSA-N 367.449 3.932 0 40 FHAB Cc1ccc(CCC(=O)N[C@@H](c2cccnc2)C2CCOCC2)cc1F 225619921 FHURAKWAIRVYIG-OAQYLSRUSA-N 356.441 3.746 0 40 FHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(C)o2)n2ncnc2N1 4724034 PVCJVWFWWYLAJY-GOSISDBHSA-N 363.421 3.724 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)Nc1cc2c(cc1Cl)NC(=O)CO2 40081548 MEDFBYLBHPCFHC-UHFFFAOYSA-N 369.808 3.724 0 40 FHAB CCCc1nnc(SCC(=O)Nc2ccccc2Br)o1 20033797 YEUNYYHBHZLKSV-UHFFFAOYSA-N 356.245 3.515 0 40 FHAB NC(=O)c1ccc(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1 40135399 GYNQHIBLDZCUQF-UHFFFAOYSA-N 369.852 3.960 0 40 FHAB CCOc1ccccc1NC(=O)CSc1nc(O)c2sccc2n1 51317201 IMKURAXVLPOUFY-UHFFFAOYSA-N 361.448 3.526 0 40 FHAB CCOc1ccc(NC(=O)Cc2n[nH]c(=S)n2Cc2ccccc2)cc1 16506507 OIUKENRASOQLHI-UHFFFAOYSA-N 368.462 3.569 0 40 FHAB Cc1csc(CNC(=O)c2ccccc2NC(=O)c2cccs2)n1 29246577 XMRZNDNHDTZTBE-UHFFFAOYSA-N 357.460 3.695 0 40 FHAB CCOc1cc([C@@H]2N[C@@H](C(=O)O)CS2)ccc1OCc1cccc(C)c1 807753 WGTNRVFHDJIHAW-VQIMIIECSA-N 373.474 3.761 0 40 FHAB COc1cc(C)c(NC(=O)NCCO[C@@H]2CCCC[C@@H]2C)cc1OC 45974822 XXTLETFSGYKPIW-XJKSGUPXSA-N 350.459 3.729 0 40 FHAB COc1cc(NC(=O)c2ccc(OCc3cscn3)cc2)cc(OC)c1 8122729 OXMNALBHPGJIAY-UHFFFAOYSA-N 370.430 3.992 0 40 FHAB O=C1CCCc2cc(C(=O)COc3ccccc3Br)ccc2N1 32321210 PKFKBZNVYKORPZ-UHFFFAOYSA-N 374.234 3.986 0 40 FHAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2cc(C)ccc2C)CC1=O 3478890 URJIHVWWZTWARH-INIZCTEOSA-N 352.434 3.694 0 40 FHAB c1ccc(-c2noc(CN(Cc3cccs3)C[C@H]3CCCO3)n2)cc1 32751568 JZTGBNCAFYMOFU-MRXNPFEDSA-N 355.463 3.979 0 40 FHAB c1ccc(-c2noc(CN(Cc3cccs3)C[C@@H]3CCCO3)n2)cc1 32751569 JZTGBNCAFYMOFU-INIZCTEOSA-N 355.463 3.979 0 40 FHAB Cc1ccc(F)c(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)c1 4898429 CFTKVKPVWYWTRR-OAHLLOKOSA-N 370.424 3.913 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3O)on2)cc1OC 6873010 HIDBGKFOYKTCKT-UHFFFAOYSA-N 374.780 3.970 0 40 FHAB Cc1cc2oc(=O)cc(C)c2cc1O[C@@H](C)C(=O)N1CCc2ccccc21 6922349 DFFNDTNGOOZZEK-HNNXBMFYSA-N 363.413 3.766 0 40 FHAB CC(C)(C)C(=O)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 7388383 TUESPHHXCUPTNP-UHFFFAOYSA-N 352.759 3.591 0 40 FHAB Cc1cccc(C)c1OCCOC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 32828747 IUVLRSDFYPNCQL-UHFFFAOYSA-N 369.396 3.567 0 40 FHAB O=C(O)CCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 8105795 ZGHJBFYHMBHIND-UHFFFAOYSA-N 374.245 3.811 0 40 FHAB COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2c(C)cc(C)cc2C)c1 8333638 NYSBOUIZLVJJAB-UHFFFAOYSA-N 367.854 3.853 0 40 FHAB CCc1ccc2nc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)sc2c1 2631246 AAIHQPGNKBFTCA-OAHLLOKOSA-N 352.415 3.579 0 40 FHAB COC(=O)c1c(C)[nH]c(-c2cccs2)c1[C@H]1C(=O)Nc2ccccc21 101637644 SXNAWXWNGASVHW-HNNXBMFYSA-N 352.415 3.922 0 40 FHAB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)Nc1ccc(F)c(Cl)c1)C(=O)C2 100864105 GVZMQDRHSHYFNZ-HWPZZCPQSA-N 359.850 3.616 0 40 FHAB CC(C)c1ccccc1NC(=O)CN(C)Cc1ccc2c(c1)OCCO2 9446015 JNMDILFXGNODCD-UHFFFAOYSA-N 354.450 3.652 0 40 FHAB CCOC(=O)/C=C(\C)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 102975066 TVKJHEHEEQZPQA-FYWRMAATSA-N 374.462 3.675 0 40 FHAB Cc1cc(NC(=O)CCC2CCCCC2)nc2nc(C(F)(F)F)nn12 9477047 NNYIZRCZYWHUKZ-UHFFFAOYSA-N 355.364 3.751 0 40 FHAB Fc1ccc(-c2cs/c(=N\c3ccccc3)n2N2CCOCC2)cc1 22762045 RSABQRMBMSYGDU-VZCXRCSSSA-N 355.438 3.556 0 40 FHAB CCn1c(CNC(=O)c2ccccc2)nnc1SCc1ccc(C)cc1 107955758 KQTPOMWZMOUIOE-UHFFFAOYSA-N 366.490 3.829 0 40 FHAB CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCC(C)CC2)cc1 823609 QPCXGFATAHFEOE-JVMACKPJSA-N 372.465 3.835 0 40 FHAB COc1ccc(-c2nc(CC(=O)Nc3ccc(O)cc3)cs2)cc1OC 12391885 BQJVQZIVMVDZOX-UHFFFAOYSA-N 370.430 3.714 0 40 FHAB COc1ccc(CCCNC(=O)COc2cccc(C(F)(F)F)c2)cc1 59851984 OMJWEIZNYJBRLN-UHFFFAOYSA-N 367.367 3.842 0 40 FHAB CCOC(=O)c1sc(NC(=O)c2ccc(C)o2)c(C(=O)OCC)c1C 997781 WIULSBMIPPRFOB-UHFFFAOYSA-N 365.407 3.564 0 40 FHAB O=C(NCc1cc(F)ccc1F)N1CCC(c2nc3ccccc3[nH]2)CC1 104804125 FIWGHQZPNWSESL-UHFFFAOYSA-N 370.403 3.930 0 40 FHAB C[C@@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccc(F)c(F)c1 29764907 IJVLAAYAVSTIOC-CYBMUJFWSA-N 358.388 3.578 0 40 FHAB O=C(Nc1cnn(Cc2ccc(Br)cc2)c1)c1ccc(O)cc1 27920896 JWVIFBZXAGZOOW-UHFFFAOYSA-N 372.222 3.652 0 40 FHAB CCN(CC)Cc1ccccc1CNC(=O)c1c[nH]nc1-c1ccccc1 12534982 YQTVAQOGCKKOND-UHFFFAOYSA-N 362.477 3.849 0 40 FHAB Cc1cc(N)nc(SCC[S@@](=O)c2cc(Cl)ccc2Cl)n1 77222936 GFCVYJJIKPURFX-NRFANRHFSA-N 362.307 3.574 0 40 FHAB O=C(NCc1nc2ccccc2n1C[C@H](O)c1ccccc1)c1ccccc1 12540252 COGCWWWZGFFNBT-NRFANRHFSA-N 371.440 3.700 0 40 FHAB COC(=O)Nc1cccc(C(=O)N(C)CCCOc2ccc(F)cc2)c1 78482372 VEQVCGUQMBCROR-UHFFFAOYSA-N 360.385 3.545 0 40 FHAB O=C(OCc1nc2ccccc2n1C(F)F)c1ccc2nccnc2c1 25437206 STGNSEIAQGKCJZ-UHFFFAOYSA-N 354.316 3.732 0 40 FHAB O=C(COC(=O)c1cc2ccccc2cc1O)NCc1ccccc1Cl 3224921 LRIIUIVSQHADEQ-UHFFFAOYSA-N 369.804 3.672 0 40 FHAB Cc1nnc(SCc2nnc(-c3ccc(Br)o3)o2)s1 12622894 YXGWASRGBMYWSV-UHFFFAOYSA-N 359.230 3.544 0 40 FHAB Cc1cc(Br)ccc1NC(=O)COc1cccc2c1CCC2=O 10198095 WZTRVXJGMGUQAT-UHFFFAOYSA-N 374.234 3.904 0 40 FHAB CCCCc1noc([C@@H](C)S(=O)(=O)Cc2csc(CCCC)n2)n1 58196567 BYFKVJJZKLUJAW-GFCCVEGCSA-N 371.528 3.887 0 40 FHAB O=S(=O)(NC1(c2ccc(Cl)cc2)CCC1)c1cc(F)cc(F)c1 58356786 LFCGEPKXRZGDJA-UHFFFAOYSA-N 357.809 3.976 0 40 FHAB COc1ccc(/C=C/C(=O)OCC(=O)c2ccc(Cl)s2)cc1OC 3314551 LCKKECHUKJCIMD-XBXARRHUSA-N 366.822 3.858 0 40 FHAB CC(C)Oc1cccc([C@@H]2CC(O)=Nc3nc(N4CCOCC4)sc32)c1 36359772 KMWUIEFLMDNVLG-HNNXBMFYSA-N 373.478 3.891 0 40 FHAB Cc1cccc(NC(=O)CSc2nccn2-c2ccc(C)c(C)c2)n1 36391704 YGEPBVJEVDCJJW-UHFFFAOYSA-N 352.463 3.923 0 40 FHAB CCOc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 12761331 AFHMLWHLUNBKLL-SFHVURJKSA-N 353.418 3.834 0 40 FHAB CC(C)c1nc2sc3c(N4CCN(C)CC4)ncnc3c2c2c1CCC2 2410694 NVXYOQCCIOQFFV-UHFFFAOYSA-N 367.522 3.603 0 40 FHAB Cc1c(C(=O)NCCc2nnc3n2CCCCC3)sc2ccccc12 12798500 PUNVVXIMTFYMDG-UHFFFAOYSA-N 354.479 3.500 0 40 FHAB O=C1CN(c2ccccc2)C(=O)N1Cc1ccc(Cl)c2cccnc12 48374626 NAMIFRBGGKIXII-UHFFFAOYSA-N 351.793 3.857 0 40 FHAB O=C(c1nn(-c2ccccc2C(F)(F)F)cc1O)N1CCc2ccccc21 12877068 FYCCWOFFCJQDLV-UHFFFAOYSA-N 373.334 3.800 0 40 FHAB COc1ccc(C(=O)Nc2ccccc2Br)c(OC)c1OC 3447586 RJGWNAKDBXJYCC-UHFFFAOYSA-N 366.211 3.727 0 40 FHAB Cc1ccc(C)n1CCN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 13687235 XRZPFVLDHBMIQV-UHFFFAOYSA-N 360.889 3.608 0 40 FHAB COc1ccc2cc3c(nc2c1)N(NC(=O)c1cccc(Cl)c1)CC3 5269497 RWTDUUWFTRDCSJ-UHFFFAOYSA-N 353.809 3.604 0 40 FHAB NC(=O)NC(=O)[C@H](Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 14095591 KZSWLULLZUEERP-LJQANCHMSA-N 361.401 3.827 0 40 FHAB Cc1nnc(SCC(=O)N[C@H](C)c2cccs2)n1Cc1ccccc1 8750295 SFGPXWKUIHRDRP-CYBMUJFWSA-N 372.519 3.666 0 40 FHAB Cc1cc(OCC(=O)Nc2nc(-c3c(C)[nH]c4ccccc34)cs2)no1 14185719 SMHDCLBPTAOIEH-UHFFFAOYSA-N 368.418 3.914 0 40 FHAB C[C@@H](Sc1nccn1C)C(=O)N(c1nccs1)C1CCCCC1 8746636 PKULCUWGWPZWTQ-GFCCVEGCSA-N 350.513 3.723 0 40 FHAB C[C@@H](NC(=O)CSc1nc(-c2cccs2)n[nH]1)c1cccs1 8754980 VFDWPXLGTZBMSM-SECBINFHSA-N 350.494 3.564 0 40 FHAB Cc1ccc(NC(=O)COCC(=O)NCCC2=CCCCC2)cc1Cl 4715714 QBLVDOBKRHSJMC-UHFFFAOYSA-N 364.873 3.610 0 40 FHAB COc1ccc(C(=O)N[C@H](C(=O)Nc2cccc(Cl)c2)C(C)C)cc1 6778680 CRQAHUXUSPICIQ-KRWDZBQOSA-N 360.841 3.742 0 40 FHAB Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 9155746 OXZPKRTURMMJII-UHFFFAOYSA-N 367.780 3.510 0 40 FHAB CCOc1ccc2c(c1)c(=O)c(C(=O)NCc1ccccc1Cl)cn2C 22237114 MCUURWZSYXRCBP-UHFFFAOYSA-N 370.836 3.521 0 40 FHAB Cc1cc(=O)oc2cc(NC(=S)NCCc3ccc(F)cc3)ccc12 6961032 NHALRFCARMSOJF-UHFFFAOYSA-N 356.422 3.770 0 40 FHAB CCOc1ccc(C(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 67206113 AVFZYSUWUJKONX-UHFFFAOYSA-N 358.869 3.744 0 40 FHAB CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)ccc1O 7113322 RETIPDFFUGBALG-MRXNPFEDSA-N 366.339 3.920 0 40 FHAB C[C@H](Sc1ccc(F)c(F)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 7161512 OMVVZZAPWPBUEN-JTQLQIEISA-N 371.430 3.700 0 40 FHAB C[C@H](OC(=O)c1c(F)cccc1F)C(=O)N[C@H]1CCCc2ccccc21 7180520 VSPHQQHHWPGCLT-SJCJKPOMSA-N 359.372 3.704 0 40 FHAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCN(Cc3ccccc3)CC2)o1 16202658 ZEOKUKKJXKXNLI-UILBMPDPSA-N 350.462 3.761 0 40 FHAB Cc1cc(Br)ccc1NCc1cc(=O)n2cccc(C)c2n1 9378773 QUYPCROTQXHCCE-UHFFFAOYSA-N 358.239 3.686 0 40 FHAB O=S(=O)(c1cccc(Cl)c1)N1CC=C(c2ccc(F)cc2)CC1 9584168 MKJCBCGQQLOXRJ-UHFFFAOYSA-N 351.830 3.957 0 40 FHAB CCOc1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1 408707066 JBOZNKDTWPWAGA-UHFFFAOYSA-N 367.232 3.647 0 40 FHAB O=C(O)C1CCN(C(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)CC1 97017390 NUOOXESXSVPSEK-LSDHHAIUSA-N 370.474 3.669 0 40 FHAB C[C@H](Sc1ccccn1)C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 79060136 UPHASLQFSHKJJL-HZMBPMFUSA-N 371.289 3.719 0 40 FHAB Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cnc3c(c2)c(C)nn3C)o1 72303807 ASWFKKJIQVUPJF-PXAZEXFGSA-N 352.438 3.792 0 40 FHAB Cc1cc(C)c2c(c1)[C@@H](NC(=O)c1cccnc1OCC(F)F)CCO2 95444834 VNRPRCFTTMLXEP-HNNXBMFYSA-N 362.376 3.596 0 40 FHAB O=C(Nc1cccc(C(=O)N2CCC[C@H]2c2ncc[nH]2)c1)c1cccs1 95458562 ZGRZQPFKPNJHHR-HNNXBMFYSA-N 366.446 3.701 0 40 FHAB C[C@@H](NC(=O)N1CCC(CN2CCc3ccccc32)CC1)c1ccncc1 95957619 WGNBHYNJDIRCOL-QGZVFWFLSA-N 364.493 3.627 0 40 FHAB O=C(CN1C(=O)S/C(=C/c2ccc(O)c(Cl)c2)C1=O)c1ccccc1 409222926 FNRKZZFZMPJDOJ-CXUHLZMHSA-N 373.817 3.965 0 40 FHAB CSCc1ccc(C(=O)N2CCC[C@H]2c2nnc3ccccn23)cc1 29073808 YXUUGEMWIMSCQY-INIZCTEOSA-N 352.463 3.570 0 40 FHAB COc1ccccc1OCc1ccc(C(=O)NCc2ccc(F)cc2)o1 28237286 FEHJTFZPELYQSZ-UHFFFAOYSA-N 355.365 3.936 0 40 FHAB O=C(Oc1cccc2cccnc12)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 408673858 XVOPTLGZBRVRFJ-CQSZACIVSA-N 366.804 3.847 0 40 FHAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 408593356 PZMKYNYQNLEUFH-UHFFFAOYSA-N 365.430 3.500 0 40 FHAB Cc1cc(Br)c(NC(=O)[C@H](C)NC(=O)OCC(C)C)cc1C 409000840 YWVLCOXXAZOPFJ-LBPRGKRZSA-N 371.275 3.775 0 40 FHAB COc1cccc(CNC2(Cc3cc(-c4ccc(F)cc4)on3)COC2)c1 67897877 BKYYQZLUJMFNIA-UHFFFAOYSA-N 368.408 3.591 0 40 FHAB biogenic,in-vitro CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 501232282 KMEHFLMLGLDKRG-INIZCTEOSA-N 362.433 3.541 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1nc(-c2cccc(C)c2)no1 219328660 NUDOVZQFQIJCSM-KRWDZBQOSA-N 369.396 3.658 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 38753105 YYGVCJDBVQJRLY-WMZOPIPTSA-N 371.477 3.971 0 40 FHAB CC1(C)C[C@H](C(=O)Nc2cccnc2Oc2ccc3c(c2)OCO3)CCO1 72401388 QTXYXHWRLGBCFQ-CYBMUJFWSA-N 370.405 3.746 0 40 FHAB O=C(NC1(c2ccc3c(c2)OCO3)CCCC1)c1cccc2nccnc12 72346540 JXYQXRXZICAUHH-UHFFFAOYSA-N 361.401 3.558 0 40 FHAB Cc1cc(C(=O)N2CCC[C@H](C)C2)c2cnn(-c3ccccc3F)c2n1 36616416 GLJQYELKAUGFPO-ZDUSSCGKSA-N 352.413 3.740 0 40 FHAB CCC(=O)N(CCc1ccccc1)Cc1cc2cc(C)ccc2n2nnnc12 35288981 ZMCTXUBGSMTLNO-UHFFFAOYSA-N 373.460 3.567 0 40 FHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N(C)Cc1ccc(OC)c(OC)c1 216376763 KLOHRVJHXURQGN-GOSISDBHSA-N 373.449 3.528 0 40 FHAB CCSc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1 223822448 USADDMYRTURDEG-UHFFFAOYSA-N 365.476 3.694 0 40 FHAB CCCOCc1cc(C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OC 224416119 DNYGRTIEIICIAF-UHFFFAOYSA-N 357.406 3.661 0 40 FHAB COc1ccc(CCC(=O)N(C)Cc2ccc(OC)c(OC)c2)cc1C 223932016 LEMNUSITNIXAHF-UHFFFAOYSA-N 357.450 3.612 0 40 FHAB COc1cccc(O[C@@H](Cc2ccc(Br)cc2)C(=O)O)c1 225066246 AOGVPJUQWQAFIG-HNNXBMFYSA-N 351.196 3.532 0 40 FHAB COC(=O)c1cccc(NC(=S)NC2(c3ccncc3)CCCC2)c1C 225858979 JWNRZZYZFBLZIX-UHFFFAOYSA-N 369.490 3.933 0 40 FHAB Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)nc3)CCOCC2)cc1 225932879 PXAOLPMGTBVGKT-UHFFFAOYSA-N 354.450 3.864 0 40 FHAB Cc1cc(NC(=S)NC(=O)c2cccs2)cc(Br)c1O 226244302 MVXMPRZGMDBOSE-UHFFFAOYSA-N 371.281 3.651 0 40 FHAB O=C(COc1ccc(Cl)cc1Cl)NCC[C@@H](O)c1cccs1 77114223 RXXCTBWZEIJHFP-GFCCVEGCSA-N 360.262 3.674 0 40 FHAB CC(C)(C)CN1CC[C@@H](CC(=O)O)[C@@H](Cc2nc3ccc(F)cc3[nH]2)C1 514288548 HYSBITGMWBFSHD-KBPBESRZSA-N 361.461 3.703 0 40 FHAB biogenic,in-vitro CS(=O)(=O)N1N=C(c2ccco2)C[C@H]1c1cc(Cl)ccc1Cl 95116832 WXQRBFHHJAKOLL-ZDUSSCGKSA-N 359.234 3.697 0 40 FHAB COc1ccc(CC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 96234473 WCCPZVDNGMJPSN-UHFFFAOYSA-N 371.824 3.600 0 40 FHAB Cc1cc(CO)oc1C(=O)NCc1ccc(OC(C)C)cc1C(F)(F)F 585080804 AHMGYCHTQUNDDC-UHFFFAOYSA-N 371.355 3.816 0 40 FHAB O=C(NC1CC(c2cccc(Cl)c2)C1)N1CCO[C@H](c2ccco2)C1 674699199 ACXQQWPUBYHGPP-PVARCSIZSA-N 360.841 3.962 0 40 FHAB O=C(O)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)[C@@H]2CCCC[C@@H]12 659194669 NCGGKPHGJDZWNS-GZBLMMOJSA-N 361.404 3.847 0 40 FHAB CO[C@H](CNS(=O)(=O)c1cccc(Cl)c1C)c1ccccc1C 96105076 PBFPFFRWZIYUDH-MRXNPFEDSA-N 353.871 3.623 0 40 FHAB CCN(C(=O)c1cccc(C(=O)O)c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 564955421 WXVPCQOHHMKRSP-UZLBHIALSA-N 366.461 3.682 0 40 FHAB Cc1cccc(-c2noc(CNc3ccccc3N3CCC(O)CC3)n2)c1 55887704 PMGUTMIIJIRPMQ-UHFFFAOYSA-N 364.449 3.618 0 40 FHAB CC1(C)C[C@]2(CCCN2C(=O)c2cscn2)CN1c1ccc(F)cc1 1615123800 VNARJWGRRISPOK-LJQANCHMSA-N 359.470 3.946 0 40 FHAB O=C(NC[C@H](O)c1ccc(-c2cccs2)cc1)c1noc2c1CCCC2 1775978183 OFNSEJYCHDSFKP-INIZCTEOSA-N 368.458 3.745 0 40 FHAB CC(=O)NC[C@@H]1C[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 5602281 OONPIGWLFRYZLN-NGESMGFYSA-N 371.906 3.974 0 40 FHAB CC(=O)N1c2ccc(NC(=O)c3[nH]nc(-c4ccccc4)c3C)cc2C[C@H]1C 12147435 VKSHFRVWUCYHTP-CYBMUJFWSA-N 374.444 3.935 0 40 FHAB Cc1cc(O)n2nc([C@H]3CCN(Cc4ccc(OC(C)C)cc4)C3)cc2n1 12255175 OHIUMEFFFDZSEB-KRWDZBQOSA-N 366.465 3.520 0 40 FHAB C[C@H](NC(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O)C1CC1 12632515 DGXZRYHSYAMKJM-ZDUSSCGKSA-N 359.495 3.534 0 40 FHAB O=C(NC1CCCCCC1)c1nnc(Cc2c(F)cccc2Cl)o1 16383782 HVNOCRFDRHLXEN-UHFFFAOYSA-N 351.809 3.906 0 40 FHAB O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(CC3CC3)CC[C@@H]21 19406580 HVIMZCLWEIHPDS-UFYCRDLUSA-N 358.551 3.965 0 40 FHAB C=CCn1c(C)c(/C=C(\Sc2nnc(C)[nH]2)C(=O)O)c2ccccc21 6328798 XJGPAFZHJYYRDP-YBEGLDIGSA-N 354.435 3.780 0 40 FHAB CCCC(=O)N1CCN(c2nc3ccc(Br)cc3s2)CC1 5181375 AGWYHHIZNNZZSG-UHFFFAOYSA-N 368.300 3.508 0 40 FHAB COCC1(C2CCC2)CN(C(=O)NCCc2c(C)oc3ccccc23)C1 664684132 HVCYLFAVBXPOTK-UHFFFAOYSA-N 356.466 3.742 0 40 FHAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1CCCc2ccccc21 17280106 HAMKEISAYPNQBF-ZDUSSCGKSA-N 368.506 3.950 0 40 FHAB O=C(N[C@@H]1CCCN(c2ccnc3cc(C(F)(F)F)ccc23)C1)C1CC1 1889128225 JAYJZPRNOCAIJP-CQSZACIVSA-N 363.383 3.749 0 40 FHAB CCOc1ccccc1C(=O)NCCc1cc2ccc(C)c(C)c2[nH]c1=O 3911867 MYKQCHDUAFNBJW-UHFFFAOYSA-N 364.445 3.516 0 40 FHAB O=C(C1CCCCC1)N(c1cccc(Cl)c1)[C@H]1C=CS(=O)(=O)C1 4165237 VZKSBVHQXXXVIL-INIZCTEOSA-N 353.871 3.564 0 40 FHAB CCCC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2 5136624 RXHPESZZABFUHO-UHFFFAOYSA-N 358.463 3.567 0 40 FHAB CC1=C(C(=O)Nc2ccc(C)c(C)c2)[C@@H](c2ccccc2F)NC(=S)N1 5504506 QZFNDWYSFQKFBY-GOSISDBHSA-N 369.465 3.874 0 40 FHAB CC(C)Oc1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 9701550 SBWXKRSSQSRFBJ-UHFFFAOYSA-N 367.361 3.505 0 40 FHAB O=C(CCn1ncc2ccc(Cl)cc21)NCc1csc(C2CC2)n1 72252347 QAJVFWOCJMIHDE-UHFFFAOYSA-N 360.870 3.730 0 40 FHAB CC(C)(C)C(=O)NCCCC(=O)Nc1ccc2c(c1)nc1n2CCCCC1 30011634 RYQRDVQQGAIGEE-UHFFFAOYSA-N 370.497 3.644 0 40 FHAB COc1cc(CC(=O)N2CC=C(c3ccccc3)CC2)cc(OC)c1OC 30995823 VMUPMQKKUUXUKF-UHFFFAOYSA-N 367.445 3.571 0 40 FHAB CC(=O)N[C@H]1C(=O)N(Cc2ccc(OC(C)C)cc2)c2ccc(C)cc21 100485453 NBVNWKDEROVKID-HXUWFJFHSA-N 352.434 3.506 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCc2ccccc21 29110287 SMSOBRFKIYQCFA-FUHWJXTLSA-N 358.482 3.622 0 40 FHAB COc1cccc(Nc2nc3nonc3nc2Nc2cccc(OC)c2)c1 845957 ZVHSPMQEXOFEHW-UHFFFAOYSA-N 364.365 3.517 0 40 FHAB O=C(COc1ccc2ccccc2c1)Nc1nnc(-c2ccco2)s1 881516 PUCRTYYGCCUJOL-UHFFFAOYSA-N 351.387 3.969 0 40 FHAB O=C(CCOc1cccc(Cl)c1)NC1CCN(Cc2ccccc2)CC1 32655432 LMJRXYKBTAWLQA-UHFFFAOYSA-N 372.896 3.890 0 40 FHAB COc1ccc(-c2noc(CCc3nc(-c4ccc(F)cc4)no3)n2)cc1 41097361 JXDSKIVMUIHIED-UHFFFAOYSA-N 366.352 3.720 0 40 FHAB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(Br)cc1 102148161 DMQGACQEUDFYIS-RWMBFGLXSA-N 366.255 3.757 0 40 FHAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1 4602395 LQICEGPAUWOAHC-UHFFFAOYSA-N 371.393 3.809 0 40 FHAB COc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 6175487 JMHZKWVOMOGSHS-NSHDSACASA-N 366.339 3.530 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)CCc1ccccc1 6932005 ORRXDEUHDUNKPH-CYBMUJFWSA-N 353.871 3.648 0 40 FHAB COC(=O)c1ccc(CSc2nnc(NCc3ccccc3)s2)o1 2646865 IRMIILRFQPZFMY-UHFFFAOYSA-N 361.448 3.822 0 40 FHAB C[C@H](NC(=O)c1cccs1)C(=O)OCc1ccc(Cl)c(Cl)c1 32869336 WNLRHZGXNPATEI-VIFPVBQESA-N 358.246 3.917 0 40 FHAB CCCCOc1ccc(S(=O)(=O)n2ccc(C)n2)cc1C(C)(C)C 27823405 PRQYJWZWAUEDON-UHFFFAOYSA-N 350.484 3.905 0 40 FHAB O=C1CSc2ccc(C(=O)OCc3ncc(-c4ccccc4)o3)cc2N1 9074984 ITESLVXJSZLVTL-UHFFFAOYSA-N 366.398 3.743 0 40 FHAB C[C@H]1CCCN(CCNC(=O)c2cc(Br)ccc2Cl)C1 46877830 JSBVADNWWUVIAU-NSHDSACASA-N 359.695 3.564 0 40 FHAB CCOc1cc(Cl)c(S(=O)(=O)N2CCCCCC2)cc1Cl 12291776 NIIKGOWGTSBFFB-UHFFFAOYSA-N 352.283 3.957 0 40 FHAB O=C(NCc1csc(-c2ccccc2)n1)c1cccc(Cn2cccn2)c1 28240245 WXJUOZWFUMXIKN-UHFFFAOYSA-N 374.469 3.985 0 40 FHAB COc1ccc(N[C@H](NC(=O)c2cccs2)C(=O)c2ccccc2)cc1 1452560 JDXVSVLIZYHQDW-LJQANCHMSA-N 366.442 3.808 0 40 FHAB COc1ccc(C)c2s/c(=N\C(=O)c3nc4ccccc4s3)n(C)c12 100823907 WSXCZHYPMIBAIW-ZZEZOPTASA-N 369.471 3.908 0 40 FHAB COc1ccc(CCN(C)C(=O)c2cc3ccccc3cc2O)cc1OC 12551992 LJCHOHUOBQGPJX-UHFFFAOYSA-N 365.429 3.877 0 40 FHAB CCCOc1ccc(C(=O)NC[C@@H](c2cccs2)N(C)C)cc1OC 25720741 ZMVWJGHZIBZFMW-HNNXBMFYSA-N 362.495 3.578 0 40 FHAB Cc1c(NC(=O)NCC[C@H]2CCCO2)cccc1NC(=O)c1ccccc1 69459965 PREOTLATSVNAEH-QGZVFWFLSA-N 367.449 3.938 0 40 FHAB O=C(NCc1ccco1)c1cc2ccc(O)cc2o/c1=N\c1ccccc1 26101399 VCMIKSSHRWLMII-LNVKXUELSA-N 360.369 3.894 0 40 FHAB O=C1[C@@H]2[C@@H]3c4ccccc4[C@H]([C@H]4C=CC=C[C@@H]43)[C@H]2C(=O)N1Cc1ccco1 100607288 AUALTXBXGOSYHI-CRSZHWGHSA-N 357.409 3.634 0 40 FHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)OC(C)C)CC2 10050406 DVAAQRCTKAJMPD-JOCHJYFZSA-N 369.461 3.603 0 40 FHAB NC(=O)CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 3221747 LOOWILZBUICCTC-UHFFFAOYSA-N 358.448 3.651 0 40 FHAB Cc1cnc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)s1 10626152 CDWMWCFNDZUIEV-UHFFFAOYSA-N 368.462 3.530 0 40 FHAB O=C(COC(=O)c1cccnc1Cl)NCc1ccc(Cl)cc1Cl 3396870 UYELKZUPJLISKD-UHFFFAOYSA-N 373.623 3.515 0 40 FHAB CCOc1ccc2[nH]c3c(N4CCN(c5ccccc5)CC4)ncnc3c2c1 2440999 DDKASYPKLAJVSY-UHFFFAOYSA-N 373.460 3.836 0 40 FHAB Cc1cccc(C)c1OCC(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 12762046 LWSMMFDBKLIJPV-SFHVURJKSA-N 366.461 3.560 0 40 FHAB O=C(CSc1ncc(-c2ccc(F)cc2)[nH]1)N1CCc2sccc2C1 48262007 AGIUOPRRAWVUDD-UHFFFAOYSA-N 373.478 3.954 0 40 FHAB Cc1ccc(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)cc1F 48363943 IONNRXRXAXQQIM-UHFFFAOYSA-N 355.457 3.917 0 40 FHAB CC(C)n1nc(C(=O)Nc2ccc3ccccc3n2)c2ccccc2c1=O 8429290 NJTNNPOPIPIJBB-UHFFFAOYSA-N 358.401 3.778 0 40 FHAB Cc1ccc(-c2n[nH]c(SCC(=O)NCc3ccc(Cl)cc3)n2)cc1 8507653 BJIUVDTUDJHFRC-UHFFFAOYSA-N 372.881 3.842 0 40 FHAB COc1ccc(CC(=O)Nc2c(C)nn(Cc3ccc(F)cc3)c2C)cc1 27921785 UUDRLIPYVYZEID-UHFFFAOYSA-N 367.424 3.877 0 40 FHAB CCOc1ccc2ncc(C(=O)O)c(Nc3cccc(C(=O)O)c3)c2c1 5510757 ARNNZHJHBSMOQA-UHFFFAOYSA-N 352.346 3.774 0 40 FHAB CCn1c(SCC(=O)Nc2ccccn2)nnc1-c1ccccc1Cl 409168605 MTCKNTMILNMROX-UHFFFAOYSA-N 373.869 3.744 0 40 FHAB O=C(NCc1ccc2c(c1)OCCO2)c1ccc(C2SCCS2)cc1 8752229 LNWBTXOQWQYLSF-UHFFFAOYSA-N 373.499 3.866 0 40 FHAB C=C1c2ccccc2C(=O)N1CC(=O)N(C)Cc1c(F)cccc1Cl 14776868 XVZAVZTZXSVCND-UHFFFAOYSA-N 358.800 3.564 0 40 FHAB CCOc1ccc(C2=N/C(=C\c3ccccc3F)C(=O)O2)cc1OCC 5703083 OXTYNVCKYXIIKV-WJDWOHSUSA-N 355.365 3.968 0 40 FHAB CCn1c2ccccc2c2cc(NC(=O)CSc3cn[nH]n3)ccc21 4945292 DDIBQKZHXFJAJK-UHFFFAOYSA-N 351.435 3.663 0 40 FHAB O=c1c2ccccc2nc(SC[C@@H]2CCCO2)n1-c1ccc(F)cc1F 6990611 XKTBGFBMHCARIY-ZDUSSCGKSA-N 374.412 3.935 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc(NC(C)=O)cc1 7221604 AUYXIGMGPCPRKL-LLVKDONJSA-N 361.829 3.746 0 40 FHAB CC(C)c1cccc(NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)c1 15814358 VHUVINVYSBDLLW-UHFFFAOYSA-N 361.401 3.905 0 40 FHAB COc1ccc(C(C)=O)cc1CSCC(=O)NCc1ccc(C)cc1 7539170 MCGOJWWQEJNXJC-UHFFFAOYSA-N 357.475 3.756 0 40 FHAB O=C(CN1CCC[C@H]1c1nc2ccccc2s1)NCc1ccccc1 7909698 VHSHEJMRTCEXLO-KRWDZBQOSA-N 351.475 3.750 0 40 FHAB O=C(N[C@@H](Cc1ccccc1Cl)c1ccccc1)N1CCC[C@@H](O)C1 68886775 YMPXRBFFGUSORX-MJGOQNOKSA-N 358.869 3.790 0 40 FHAB COc1ccc(-c2nnc([C@H](C)Nc3ccc(NC(C)=O)cc3)o2)cc1 9368101 RDCSSYCGPCWKMR-LBPRGKRZSA-N 352.394 3.877 0 40 FHAB O=C(Nc1ccccc1)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 19819282 ZRXXMLJVPNAWOQ-UHFFFAOYSA-N 358.401 3.929 0 40 FHAB O=C(Nc1ccc2c(c1)OCCO2)c1cccnc1Nc1ccccc1F 71867078 QMSMVRRKPQTXFW-UHFFFAOYSA-N 365.364 3.988 0 40 FHAB C[C@@](O)(CNC(=O)c1cnc(-c2ccccc2F)s1)c1cccs1 72292570 FUICTFSQVFYTOV-QGZVFWFLSA-N 362.451 3.648 0 40 FHAB Cc1ccc(OCCCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 115127747 RIBQNOIHBSSKJT-INIZCTEOSA-N 355.434 3.803 0 40 FHAB Cc1n[nH]c(-c2nn3c(Cc4ccccc4Cl)nnc3s2)c1Cl 72401775 MPHHLMHSDYZPFS-UHFFFAOYSA-N 365.249 3.782 0 40 FHAB CC1CCN(c2ccc(NC(=O)c3ccc(NC(N)=O)cc3)cc2)CC1 72748196 BKBQDERXYVHFAF-UHFFFAOYSA-N 352.438 3.666 0 40 FHAB CN1C(=O)S/C(=C\c2ccc(OCc3ccc4c(c3)OCO4)cc2)C1=O 408811324 BLTGEYNEXIMUKO-MFOYZWKCSA-N 369.398 3.660 0 40 FHAB COc1cc2c(cc1NC(=O)CCC(=O)c1ccc(C)s1)NC(=O)CC2 95944637 UDTDTIQTCCHFLB-UHFFFAOYSA-N 372.446 3.551 0 40 FHAB CS[C@@H](C)CCC(=O)OCC(=O)c1cc(C)n(CC(F)(F)F)c1C 95995817 OOLGESYOISTCEN-NSHDSACASA-N 365.417 3.925 0 40 FHAB C[C@@H](NC(=O)C[S@@](=O)C/C=C/c1ccccc1)c1ccc(F)cc1F 24828897 HOXIDNJOPVDOJF-AKWFWPGUSA-N 363.429 3.604 0 40 FHAB COc1ccc(CCC(=O)NCc2cccc(OC(C)C)c2)cc1OC 22532433 YZYSSRUGTXVZKL-UHFFFAOYSA-N 357.450 3.740 0 40 FHAB Cc1cc(C)c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2n1 27299262 KFMZSBWQHQUHMG-UHFFFAOYSA-N 355.467 3.595 0 40 FHAB CC1=C(C)C[C@@H](C(=O)NS(=O)(=O)C2CCC(C(F)(F)F)CC2)CC1 408500821 PJTFPLQAWSYDKN-HSBZDZAISA-N 367.433 3.690 0 40 FHAB Cc1cccc2sc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12 56906066 KVNOGGFBXDZBIG-UHFFFAOYSA-N 367.474 3.656 0 40 FHAB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3=C(C)C)[C@H]2C1=O 36384115 QUGHVESQNBDHPS-LOHFZDIYSA-N 365.429 3.546 0 40 FHAB O=C(Cc1ccc(Cl)cc1)NC(=S)NC1C2CC3CC(C2)CC1C3 32118830 KBZHHXIWELRFIA-UHFFFAOYSA-N 362.926 3.698 0 40 FHAB CC(=O)NC(C)(C)c1noc([C@@H]2C[C@H]2c2csc(Br)c2)n1 528186491 KEWKZQWCWAHKFU-VHSXEESVSA-N 370.272 3.536 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)NCCCN(C)Cc1ccccc1 32857679 FNNSSXHNWLBNGT-UHFFFAOYSA-N 365.452 3.934 0 40 FHAB CCC[C@H](C)NC(=O)c1ccc(Cl)cc1I 31676969 IBBIHAQLAWGDRE-QMMMGPOBSA-N 351.615 3.863 0 40 FHAB CCc1cc(-c2cc(NCCCN(C)c3ccccc3)nc(C)n2)n(C)n1 72373333 SJNACGAWNPECFX-UHFFFAOYSA-N 364.497 3.686 0 40 FHAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(OC)c2)c(C)c1 216369234 UYJDFNCPEBPSGC-AWEZNQCLSA-N 357.406 3.586 0 40 FHAB Cc1nnc2ccc(N3CCC[C@H](c4cccc(C(F)(F)F)c4)C3)nn12 557682846 URKAOINKSXFFRR-AWEZNQCLSA-N 361.371 3.836 0 40 FHAB COc1cccc(Cn2nc(C)c(NC(=O)c3ccccc3F)c2C)c1 32609744 NVMLMOVSNKOYHK-UHFFFAOYSA-N 353.397 3.948 0 40 FHAB COc1cccc(Oc2cc(C)nc([C@H]3CCN(C(=O)C(C)C)C3)n2)c1 72383689 NMKXJJAVFRULMP-HNNXBMFYSA-N 355.438 3.558 0 40 FHAB O=S(=O)(C1CCCCC1)N1CCC[C@H]1c1nnc(-c2ccsc2)o1 72390171 YJUKJFNEBOSTCZ-AWEZNQCLSA-N 367.496 3.598 0 40 FHAB Nc1c(Br)cc2nc(-c3ccncc3)oc2c1Br 70461401 IKOFOAWWWWURBU-UHFFFAOYSA-N 369.016 3.997 0 40 FHAB Cc1ccc(C)c([C@H](C)NC(=O)c2cccc(CN3CCOCC3)c2)c1 44900365 SENWOQDISXYMIV-SFHVURJKSA-N 352.478 3.627 0 40 FHAB CCCCOCc1cc(C(=O)NCc2ccc(OC)cc2)ccc1OC 224434424 HTNOVYJVAFWMPC-UHFFFAOYSA-N 357.450 3.951 0 40 FHAB CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCN(C(=O)Nc2ccccc2)C1 572702799 MIPSDYQLVMXBEF-NJAFHUGGSA-N 358.486 3.561 0 40 FHAB C[C@H](O)c1ccc(NC(=O)c2cccc(I)c2)cc1 226272997 FHNIPOUIGYKMAG-JTQLQIEISA-N 367.186 3.597 0 40 FHAB COc1ccc(NC(=S)NCCCN2CCC[C@@H](C)C2)c2cccnc12 225738389 MBLWRSNXZLZLAX-OAHLLOKOSA-N 372.538 3.652 0 40 FHAB COc1ccc(CN2CCC(F)(F)[C@@]3(CCN(c4cccnc4)C3)C2)cc1 96239577 QKWMQDSSHPCFBK-FQEVSTJZSA-N 373.447 3.828 0 40 FHAB COc1ccc(-c2ccc3c(N)c(C(=O)NCC(C)C)sc3n2)cc1 96306357 CRRJPELDDVINHI-UHFFFAOYSA-N 355.463 3.940 0 40 FHAB CC[C@H](C)Oc1cc(C(=O)N2CCC[C@]3(C2)OCc2ccccc23)ccn1 330090090 PEWRHRJGRZRUMZ-KSFYIVLOSA-N 366.461 3.921 0 40 FHAB COc1ccc(Cl)cc1C(=O)N1CC[C@@H](N2CCc3ccccc3C2)C1 238864398 LKVCESYFNUNTFH-GOSISDBHSA-N 370.880 3.621 0 40 FHAB O=C(c1ccc(F)cc1)N1C[C@H]2CCC[C@H](OCc3cccnc3)[C@H]2C1 96182982 OBOYBZLATKNBMQ-HOJAQTOUSA-N 354.425 3.678 0 40 FHAB CCc1ccc(NC(=O)N2CCCn3cnc(CN(C)C(C)C)c3C2)cc1 96259258 RWBBEADLHXUXBM-UHFFFAOYSA-N 369.513 3.724 0 40 FHAB O=C(CCc1ccc(Cl)cc1)NCc1cnc([C@H]2CCCCO2)nc1 257327632 XCDCLVLKYPQXGB-QGZVFWFLSA-N 359.857 3.621 0 40 FHAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CC[C@H](c2ncon2)C1 253472186 JZZURAYEYKOMQQ-HNNXBMFYSA-N 360.373 3.508 0 40 FHAB Cc1cccc(Nc2cc([C@@H]3CCCN3C(=O)c3ncoc3C)ccn2)n1 257268032 MJYWCHHYDFFXNU-INIZCTEOSA-N 363.421 3.802 0 40 FHAB O=c1c(=Cc2cccc3ccccc23)sc2nc(-c3ccc(F)cc3)nn12 254500195 INUCUMARONRQKM-UHFFFAOYSA-N 373.412 3.658 0 40 FHAB Cc1nccc(N2CC[C@H](c3ccnc4ncc(-c5ccc(F)cc5)n34)C2)n1 257246826 IVZMCEYGKJAECN-INIZCTEOSA-N 374.423 3.628 0 40 FHAB O=C(Nc1cnc2c(c1)CCCC2)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F 654033144 HXOHUSSTFJZKEQ-ZFWWWQNUSA-N 357.376 3.582 0 40 FHAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@H]3COc4cc(F)cc(F)c43)c12 680154276 KFFQBTIHBMAILB-AWEZNQCLSA-N 371.343 3.550 0 40 FHAB CC(C)CNC(=O)c1ccc(NC(=O)c2cnc3cc[nH]c3c2)cc1Cl 1264728406 PNCQOQJKJAOFRC-UHFFFAOYSA-N 370.840 3.854 0 40 FHAB CO[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1C 96105085 BMZDELXWNABKHR-HNNXBMFYSA-N 374.289 3.968 0 40 FHAB CC1(C)CCC(N2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)CC1 585281232 HPUIUSTUBBPBDF-HXUWFJFHSA-N 367.917 3.751 0 40 FHAB COc1ccc2cc(C(=O)N(Cc3ccco3)C[C@H]3CCCO3)[nH]c2c1 5348006 WVTIQHBZLFHFMG-QGZVFWFLSA-N 354.406 3.591 0 40 FHAB COc1cc([C@H]2C(C)=COc3cc4c(cc32)OCO4)cc(OC)c1OC 5663558 USQSDVFXUZLZIR-LJQANCHMSA-N 356.374 3.869 0 40 FHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3sccc3C)n2)o1 12755806 CPVSPAQCJSJOOP-UHFFFAOYSA-N 361.448 3.661 0 40 FHAB Cc1cc(NC(=O)CN(C)Cc2cccc(Cl)c2)n(-c2ccccc2)n1 12916205 PWYVVICBGULDIS-UHFFFAOYSA-N 368.868 3.905 0 40 FHAB COc1ccc(OC)c(S(=O)(=O)Oc2ccc(C(C)(C)C)cc2)c1 16092348 UCVRYFSGLUHVCO-UHFFFAOYSA-N 350.436 3.769 0 40 FHAB O=c1cc([C@@H]2CCCCN2Cc2cccs2)nc(-c2ccncc2)[nH]1 19343479 OCLWFEXEIUTSCV-KRWDZBQOSA-N 352.463 3.621 0 40 FHAB CC1(C)Cc2c(cnn2Cc2ccccc2)[C@@H](NC(=O)c2cccnc2)C1 19461695 ZEPNUBXJWUANBE-IBGZPJMESA-N 360.461 3.770 0 40 FHAB COc1ccccc1CCC(=O)N1CCC[C@H](c2cc3ncccc3[nH]2)C1 19569843 QDGSUPQFHKQFQF-KRWDZBQOSA-N 363.461 3.910 0 40 FHAB C[C@H](CN(C)C(=O)CC1CCN(Cc2ccccn2)CC1)c1ccccc1 19748800 NVAGGLWFPRKLLF-LJQANCHMSA-N 365.521 3.946 0 40 FHAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2c(Cl)cccc2Cl)C1=O 6327907 XKXYBVMTSZNKFF-WUXMJOGZSA-N 374.245 3.981 0 40 FHAB COc1ccc(/C=C2/N=C(c3cc(Cl)ccc3OC)OC2=O)c(OC)c1 4644395 ILOVBWHVWUVVGN-OVCLIPMQSA-N 373.792 3.710 0 40 FHAB CN(C)c1ccc(N)cc1C(=O)Nc1c(F)cc(F)cc1Br 226324644 MHIZYTZCSGOHKY-UHFFFAOYSA-N 370.197 3.628 0 40 FHAB CCc1nnc(C2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)s1 23140746 DVVHBFSQAMMXJI-UHFFFAOYSA-N 365.886 3.782 0 40 FHAB CN(CC1CCN(C(=O)C2CCCC2)CC1)c1cc(C(F)(F)F)ccn1 1888843659 OXCMOJBACMGKRD-UHFFFAOYSA-N 369.431 3.965 0 40 FHAB Cc1nc(-c2ccccc2)[nH]c(=O)c1CCC(=O)N1c2ccccc2C[C@H]1C 26927369 USKXDKUZLWNXDF-OAHLLOKOSA-N 373.456 3.656 0 40 FHAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCN1C(=O)Nc1ccccc1 4628723 BRAPCJRESXZWKX-QPRVAFDKSA-N 367.493 3.768 0 40 FHAB O=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1ccc2c(c1)OCCO2 9828024 PVWICKUSXSDDTG-UHFFFAOYSA-N 363.329 3.506 0 40 FHAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(-c2ccc(F)cc2)c[nH]1 49027580 PUCQXMPHYNSOQI-UHFFFAOYSA-N 365.408 3.910 0 40 FHAB O=C(NC[C@H](c1ccsc1)n1cccn1)c1ccccc1C(F)(F)F 575612946 DTAPFLQLLFKYKE-OAHLLOKOSA-N 365.380 3.983 0 40 FHAB CC[C@@H](C(=O)Nc1ccc(CCN2CCOCC2)cc1)c1ccccc1 40157053 GZFYQTBFYQAWQK-OAQYLSRUSA-N 352.478 3.694 0 40 FHAB CC(C)c1nc2oc(C(=O)N3CCCC3)c(N)c2c2c1COC(C)(C)C2 31817401 SJQNFEKMWISPNJ-UHFFFAOYSA-N 357.454 3.621 0 40 FHAB COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1cc(F)ccc1Cl 51357299 ASCBHEBJUBQLSD-UHFFFAOYSA-N 372.179 3.937 0 40 FHAB Cc1nc(C2(NC(=O)c3nc(-c4ccccc4)oc3C)CCCCC2)no1 29058801 BTAVCAJFLMSURU-UHFFFAOYSA-N 366.421 3.931 0 40 FHAB c1ccc(-c2nc(CSc3nnnn3Cc3ccco3)cs2)cc1 11740523 AYXPLBFMEYWKNK-UHFFFAOYSA-N 355.448 3.730 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)CNc3c(C)cc(C)cc3Cl)ccc21 11723450 GVUWQDXZWNIUJI-UHFFFAOYSA-N 371.868 3.916 0 40 FHAB O=C1c2ccccc2N[C@]2(C(=O)Nc3ccccc32)N1Cc1ccccc1 20636587 OUOYFJBSXWKQGT-QFIPXVFZSA-N 355.397 3.560 0 40 FHAB O=C(Cc1cn2ccsc2n1)Nc1ncc(Cc2ccccc2)s1 29790971 IVLKTJNLTAQRHC-UHFFFAOYSA-N 354.460 3.624 0 40 FHAB COc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2SC)cc1 2706296 MVUKZOXNWJJGDJ-UHFFFAOYSA-N 373.507 3.697 0 40 FHAB CCN(CC)C(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 6139155 FKQDUIKYHZRATB-IBGZPJMESA-N 358.463 3.536 0 40 FHAB CCN(CC)CCOC(=O)[C@@](O)(c1cccc(C)c1C)C1CCCCC1 6382255 PLNDOSVUFDEAFR-QFIPXVFZSA-N 361.526 3.956 0 40 FHAB C[C@@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(C4CC4)n3C3CC3)cc21 7551557 HHAAONWJAUBYDC-JTQLQIEISA-N 368.462 3.521 0 40 FHAB Cc1cc(C(=O)CSc2nncn2C)c(C)n1CCc1ccc(F)cc1 2619250 ZIBMHOUXAQGEDN-UHFFFAOYSA-N 372.469 3.590 0 40 FHAB CC[C@H](C)c1ccccc1NC(=O)/C=C/c1ccc(OCC(N)=O)cc1 32808608 WEILGJPRSKJCHE-VOMSXAGXSA-N 352.434 3.716 0 40 FHAB COCCCNC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)cc1 10472525 LMSHBKWZEYUVED-UHFFFAOYSA-N 361.829 3.750 0 40 FHAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3cc(C)c(C)cc3C)C2=O)cc1 2625426 DBUZIEKXVIFYII-JOCHJYFZSA-N 364.445 3.570 0 40 FHAB CCc1ccc(S(=O)(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@H]32)cc1 60561331 HAJLSVZWWIZPKO-PZJWPPBQSA-N 370.518 3.554 0 40 FHAB C[C@H]1CCCCN1C(=O)c1nnc2sc(-c3ccc(Cl)cc3)nn12 57354615 NEWBIRBULBNJFE-JTQLQIEISA-N 361.858 3.521 0 40 FHAB Cc1nn(Cn2cc(Cl)cn2)c(C)c1NC(=O)c1ccccc1Cl 2795556 GMNZBEJRRCQHOI-UHFFFAOYSA-N 364.236 3.761 0 40 FHAB Cc1c(-c2ccnc3c4c(C5CC5)cc(C(F)(F)F)nc4nn23)cnn1C 2788466 JTWWCAJMDQYLBQ-UHFFFAOYSA-N 372.354 3.883 0 40 FHAB O=C(COc1cccc(-c2noc(-c3ccccc3)n2)c1)N1CCCCC1 33327237 XWTXHLIRPQMWRP-UHFFFAOYSA-N 363.417 3.795 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C2=NN=C(NC3CCCCC3)SC2)c1C 103253908 WAUXRRBJQQYTCC-UHFFFAOYSA-N 362.499 3.537 0 40 FHAB COc1ccc(Cl)cc1NC(=O)NC1CCN(Cc2ccncc2)CC1 47325455 VERJBJLSFRVWOR-UHFFFAOYSA-N 374.872 3.530 0 40 FHAB CC(=O)c1ccccc1OCCOC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 104176282 WZXYMZVUQHDDIM-WZGNDQMWSA-N 372.461 3.533 0 40 FHAB COc1c(C)cccc1C(=O)Nc1nc2ccc(NC(C)=O)cc2s1 814041 JCLXUAGDLWSANG-UHFFFAOYSA-N 355.419 3.824 0 40 FHAB COc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(C)=O 993559 PUCVPTJKLQZMQF-DHDCSXOGSA-N 371.776 3.618 0 40 FHAB CCc1ccc(O[C@H](CC)C(=O)N2CCN(c3ccccc3)CC2)cc1 113969010 OCVMEUHQTVUGOZ-OAQYLSRUSA-N 352.478 3.755 0 40 FHAB COc1ccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)OCCO3)cc1Cl 12543468 FSPZWEHROWDQFV-LLVKDONJSA-N 362.813 3.559 0 40 FHAB CCOC(=O)C1CCN(Cn2c(=S)oc3cc(Cl)ccc32)CC1 12543852 NALVCVDJDJVSBD-UHFFFAOYSA-N 354.859 3.850 0 40 FHAB C[C@H](Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)Nc1ccc(C(N)=O)cc1 12558172 VNLFOPVSNDXMLJ-AWEZNQCLSA-N 371.440 3.796 0 40 FHAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)NOCc1ccccc1 25039141 JHPOEFSULWINNJ-UHFFFAOYSA-N 358.344 3.800 0 40 FHAB COc1ccc(C(=O)Nc2ccc(-n3cnc(Cl)c3Cl)nc2)cc1 61720767 XPFSMAPRVXPDPH-UHFFFAOYSA-N 363.204 3.835 0 40 FHAB CCOc1ncccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl 3216310 QTWGHMZQEQMQAJ-UHFFFAOYSA-N 369.204 3.583 0 40 FHAB C/C=C/c1ccc(OC[C@H](O)CN[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c(OC)c1 107451162 IWELEXKPLMYMSX-DXOIGADISA-N 359.510 3.882 0 40 FHAB CC(C)[C@@H](NC(=O)c1cc(-c2ccco2)on1)c1ccc2c(c1)OCCO2 25574218 OPWRWWJXBAGYDS-LJQANCHMSA-N 368.389 3.833 0 40 FHAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1c(C)cccc1C)cn2C 22237156 ZOWYISTYGCOJMT-UHFFFAOYSA-N 350.418 3.806 0 40 FHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(OC)cc2)cc1 25658005 VOAAFNGNUCMVAT-LJQANCHMSA-N 361.463 3.620 0 40 FHAB CCN1CCN(C(=O)c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)CC1 58148858 GCBFSAGZHDQGOV-UHFFFAOYSA-N 374.488 3.625 0 40 FHAB CCCCc1noc([C@H](C)S(=O)(=O)Cc2csc(CCCC)n2)n1 58196569 BYFKVJJZKLUJAW-LBPRGKRZSA-N 371.528 3.887 0 40 FHAB CC[C@@H](NC(=O)CCc1c(C)noc1C)c1nc(-c2ccccc2)c[nH]1 58213514 XXMMAJPUDNIMKB-QGZVFWFLSA-N 352.438 3.882 0 40 FHAB COc1ccc(CN(C(=O)COc2ccc(F)cc2)c2ccccn2)cc1 27794515 KWKJMLWDTWFRBF-UHFFFAOYSA-N 366.392 3.842 0 40 FHAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C)cc2)N2C(=O)[C@H](C)SC2=N1 2487092 IKKLHZSUPQFMNC-BBRMVZONSA-N 358.463 3.595 0 40 FHAB CCCCc1nnc2sc(COc3ccc(Br)cc3)nn12 11278183 XGKHFLSKEYTXRO-UHFFFAOYSA-N 367.272 3.870 0 40 FHAB O=C(CN1CCC[C@H]1c1cccs1)Nc1ccc(Br)cn1 28975534 KWDAUTAQQPPFTK-LBPRGKRZSA-N 366.284 3.681 0 40 FHAB O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2oc1=O 12845953 QICDYRZUHDCZQI-UHFFFAOYSA-N 363.291 3.622 0 40 FHAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1CCCOc1ccc(Cl)cc1 12975902 UYROHNSLZUUIIP-HXUWFJFHSA-N 370.836 3.502 0 40 FHAB CC(C)[C@H](NC(=O)CCCNC(=O)c1ccc(F)cc1F)c1ccccc1 13006807 RZOIQUXHKIYEJI-FQEVSTJZSA-N 374.431 3.988 0 40 FHAB C[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc(Cl)cc1Cl 13019834 BWURPWMCPZWWMJ-VIFPVBQESA-N 365.216 3.815 0 40 FHAB Cc1ccc(-c2nnn([C@@H](C)C(=O)c3ccc(OC(F)F)cc3)n2)cc1 8429044 IWSORSHXOCQRQU-LBPRGKRZSA-N 358.348 3.694 0 40 FHAB Cc1ccc2c(c1)CCCN2CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 8428940 PIAJTHOJPJSKDI-MRXNPFEDSA-N 363.461 3.512 0 40 FHAB COC(=O)/C(=C\Nc1ccccc1N)c1ncc(C(F)(F)F)cc1Cl 17919383 XJCXZEKNSULGQR-NTMALXAHSA-N 371.746 3.962 0 40 FHAB O=C1CCCc2[nH]c(=O)c(C(=O)OC(c3ccccc3)c3ccccc3)cc21 64683870 FNEGTFWYQQFZHM-UHFFFAOYSA-N 373.408 3.840 0 40 FHAB CC[C@H](C)[C@H](NC(=O)NCC(c1ccccc1)c1ccccc1)C(=O)OC 13769773 YMOSLOULNKVKHE-JXFKEZNVSA-N 368.477 3.705 0 40 FHAB COc1ccccc1[C@H](CNC(=O)COc1ccc(C(C)C)cc1)N(C)C 25457419 MDSXEHMMULQFQE-FQEVSTJZSA-N 370.493 3.617 0 40 FHAB Cc1ccc(/C=c2\sc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2=O)o1 4351663 KTIQHLIRWBOTBO-WJDWOHSUSA-N 365.458 3.565 0 40 FHAB CC(C)n1c(SCc2cc(=O)n3ccsc3n2)nc2ccccc21 5266952 WXYBWOHVQAROJC-UHFFFAOYSA-N 356.476 3.979 0 40 FHAB O=C(C[C@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1ccc(F)cc1 5216333 YGOQFHVBTMRWTH-MRXNPFEDSA-N 354.164 3.545 0 40 FHAB O=S(=O)(NCc1ccc(F)cc1)c1ccc(Cl)cc1C(F)(F)F 6315088 DUZAVUJHZJKCRA-UHFFFAOYSA-N 367.751 3.976 0 40 FHAB CCC(=O)c1ccc(OCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1 14115537 GKWFKUVUKUVWEP-UHFFFAOYSA-N 365.385 3.712 0 40 FHAB CCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(OC)cc1 5426677 ACMDSOFFIBOJHV-UHFFFAOYSA-N 353.378 3.786 0 40 FHAB CCNC(=O)CSc1nc2ccccc2n1-c1ccc(OCC)cc1 6649117 ZTJYPSBSOHUTHX-UHFFFAOYSA-N 355.463 3.652 0 40 FHAB CCn1c(S[C@@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccccc1 4814735 ZBAXVIWHJKNKAE-LBPRGKRZSA-N 373.507 3.849 0 40 FHAB Cc1ccc(NC(=O)COc2ccccc2C(=O)NCc2ccccc2)cc1 6832495 NMOQQHCMLKZAER-UHFFFAOYSA-N 374.440 3.943 0 40 FHAB COC(=O)CCSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 5879436 OGSSWPBEYHQGJO-UHFFFAOYSA-N 360.332 3.957 0 40 FHAB C[C@H](Sc1nc(O)cc(-c2ccccc2)n1)C(=O)NCc1ccccc1 4999475 FFKFNUABAIJBCA-AWEZNQCLSA-N 365.458 3.646 0 40 FHAB C[C@@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1cccc2ccccc12 7086164 WIZOCRSBNWSPLD-CYBMUJFWSA-N 374.362 3.898 0 40 FHAB Cc1ncsc1CNCc1cc(Br)c2c(c1)OCCCO2 71212651 MEROFMRYUPOQQO-UHFFFAOYSA-N 369.284 3.665 0 40 FHAB COc1ccccc1NC(=O)[C@@H](C)Sc1nnc(C2CC2)n1C1CC1 7904127 KNWVCWVPEYVYBW-LLVKDONJSA-N 358.467 3.618 0 40 FHAB COC(=O)C1(NC(=O)c2cc3ccc(F)cc3nc2C)CCC(C)CC1 84028588 MENCCNZXSNPOJZ-UHFFFAOYSA-N 358.413 3.534 0 40 FHAB Cc1nc(-c2ccc(NC(=O)c3cccc(-c4nn[nH]n4)c3)cc2)cs1 9596287 XFFDOCNWRIINDX-UHFFFAOYSA-N 362.418 3.551 0 40 FHAB CC(C)NC(=O)NC(=O)CNc1cc(Cl)ccc1Oc1ccccc1 9689860 LQYUEPOWURYEIO-UHFFFAOYSA-N 361.829 3.778 0 40 FHAB COc1cc(OC)c(NC(=O)N2CCC[C@]2(C)CCCO)cc1Cl 95468207 BELIJOVTCHYDAT-QGZVFWFLSA-N 356.850 3.516 0 40 FHAB COc1ccc(C2(NC(=O)NCCCn3ccnc3)CCCCCC2)cc1 78822585 OOPRWJZAMMRPGD-UHFFFAOYSA-N 370.497 3.831 0 40 FHAB C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1CN1CCCCC1 24182123 WIRLBZIJIHQFBM-KRWDZBQOSA-N 370.468 3.895 0 40 FHAB Cc1nc(C)c([C@@H](C)NC(=O)CSC(=S)N2CCC(C)CC2)s1 75120820 RGBZYOVMFBSPLH-GFCCVEGCSA-N 371.597 3.687 0 40 FHAB Cn1cccc(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCCc3ccccc32)c1=O 505466615 BFZDTOWGWSKTCZ-IRLDBZIGSA-N 372.468 3.977 0 40 FHAB CC1(C)CCN(c2ccc(C(=O)O)cc2I)CC1 39951844 SHGVHBAFLCSMIV-UHFFFAOYSA-N 359.207 3.616 0 40 FHAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2 78404003 MDSBBHMRTUYESP-SNVBAGLBSA-N 352.843 3.506 0 40 FHAB COc1ccc(CNC(=O)c2cc(C)nc3c2cnn3C2CCCC2)cc1 71279569 NPJHIYHQFXOUOG-UHFFFAOYSA-N 364.449 3.793 0 40 FHAB O=C(c1cccc(-n2ccnn2)c1)N1CC2(CCCC2)c2c(F)cccc21 535917322 DNFPJSUABXQSNR-UHFFFAOYSA-N 362.408 3.879 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)NCc1ccccc1CN1CCCCC1 31524740 JNTPLIBSPYANAX-SFHVURJKSA-N 352.478 3.756 0 40 FHAB CC1(C)CCc2nc(NC(=O)[C@@H]3[C@H](C(F)(F)F)[C@H]4CC[C@H]3O4)sc2C1 557066129 JPCKWCBEKQKOHM-VCDKRKBESA-N 374.428 3.952 0 40 FHAB CCOc1ccccc1-c1nc(CC(=O)Nc2ccccc2Cl)no1 35316265 AFOAYMGQSMNAPC-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB Cn1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c2ccccc2c1=O 71280742 RIWPSRBKERXOIH-UHFFFAOYSA-N 360.457 3.633 0 40 FHAB CCn1ccc(-c2cc(NCCCc3ccccc3OC)nc(C)n2)n1 72373267 KRTGWZKBSOOTQN-UHFFFAOYSA-N 351.454 3.722 0 40 FHAB COc1ccc(CCCNC(=O)COc2cc(C)cc(C)c2C)cc1OC 218968914 MNVDFQSDNVFHOX-UHFFFAOYSA-N 371.477 3.757 0 40 FHAB COc1ccc(CC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)cc1OC 36632714 IKUHPLJHXKBZDP-UHFFFAOYSA-N 365.433 3.688 0 40 FHAB COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)c2ccccc2)cc1 72354612 MQCZBKDCONICCE-IBGZPJMESA-N 374.444 3.712 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 224667161 SDUXGNFRPIPFRA-LJQANCHMSA-N 366.505 3.789 0 40 FHAB Cc1cccn2c(=O)cc(CN(C)CCCOc3cccc(Cl)c3)nc12 48364584 AFCQSPUACIFQCK-UHFFFAOYSA-N 371.868 3.557 0 40 FHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N[C@H](C)COc1ccccc1 224907060 HILLDWNKYHSUBQ-SJORKVTESA-N 353.462 3.916 0 40 FHAB CCCn1cc(NC(=O)c2sc3nc(CC)nc(C)c3c2C)ccc1=O 47230774 PFFZTZKHYHYRFZ-UHFFFAOYSA-N 370.478 3.695 0 40 FHAB COC(=O)c1cc2[nH]cnc2c(F)c1Nc1ccc(Br)cc1 85221217 ZNHBVIXVKAMLFB-UHFFFAOYSA-N 364.174 3.995 0 40 FHAB CCCn1c(SCc2cccc(C(=O)Nc3ccccc3)c2)n[nH]c1=O 48365209 BJLBTRXLNKDDPW-UHFFFAOYSA-N 368.462 3.526 0 40 FHAB CC(C)(C)OC(=O)N1CC[C@H](NCc2cccc(Br)c2)C1 83552565 PRMNJZYGYAPRJX-AWEZNQCLSA-N 355.276 3.548 0 40 FHAB CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCc1ccccc1Cl 222898620 QCZVLXDSSPFFNC-ZDUSSCGKSA-N 362.832 3.533 0 40 FHAB c1ccc(CN2CCC3(CC2)CO[C@@H](COCc2ccncc2)C3)cc1 96219344 RHMSTJWDMHUUBZ-OAQYLSRUSA-N 352.478 3.670 0 40 FHAB O=C([C@H]1CCCc2c(O)cccc21)N1Cc2cnn(-c3ccccc3)c2C1 583894275 MHZDVXQKPFWXOD-IBGZPJMESA-N 359.429 3.540 0 40 FHAB Cc1ccccc1Cn1nc(C)c(NS(=O)(=O)c2ccccc2F)c1C 96286888 UCKUISSFLQTIDA-UHFFFAOYSA-N 373.453 3.797 0 40 FHAB CCOc1ccc(-c2n[nH]c([C@H](N)c3ccc(Cl)cc3)n2)cc1OCC 95534058 UZHDIGATXHLWMR-QGZVFWFLSA-N 372.856 3.971 0 40 FHAB Cc1cc(-c2ccnn2C(C)C)nc([C@@H]2CCCN(C(=O)C(C)(C)C)C2)n1 257232809 GMMUZCHPGSMVAK-MRXNPFEDSA-N 369.513 3.982 0 40 FHAB CCN(CC)CC[C@@H](C)N[C@H](c1nnnn1-c1c(C)cccc1C)C(C)C 255188778 LOMZMUNJURXOMN-MOPGFXCFSA-N 372.561 3.686 0 40 FHAB O=C(/C=C/c1ccccc1)NCCn1nc(-c2ccncc2)c2c1CCCC2 96121441 SHRLUUBNOCPBHK-ZHACJKMWSA-N 372.472 3.654 0 40 FHAB NC(=O)NC(=O)CCSc1nc(-c2ccccc2)c(-c2ccccc2)o1 69371603 FOFCQCIOYWDANS-UHFFFAOYSA-N 367.430 3.686 0 40 FHAB O=C(C1=COCCO1)N(Cc1ccccc1)c1nc2c(F)cccc2s1 5299694 ALBHSBCFIKUENX-UHFFFAOYSA-N 370.405 3.857 0 40 FHAB O=C(NCCc1c[nH]c2ccc(O)cc12)c1c(F)c(F)c(F)c(F)c1F 5897362 UBQZRWIAPKXDID-UHFFFAOYSA-N 370.277 3.542 0 40 FHAB COc1ccc(C(=O)CSc2nc(C)cc(C(F)(F)F)n2)cc1OC 16283877 NSMIWPPAOMCNAI-UHFFFAOYSA-N 372.368 3.796 0 40 FHAB CCCC(=O)N1CC[C@@](Cc2ccccc2-c2cccc(C)c2)(C(N)=O)C1 19501048 OCRGMAFIRROVOC-QHCPKHFHSA-N 364.489 3.709 0 40 FHAB CCn1cc(-c2cc(C(=O)Nc3c(C)ccc4nc(C)ccc34)no2)cn1 19665269 OJBFVUZMRGLWHQ-UHFFFAOYSA-N 361.405 3.975 0 40 FHAB Cn1cc(Cl)c([C@H]2CCCCCN2S(=O)(=O)c2ccc(F)cc2)n1 12159663 DFBPGYCNCNDVRD-OAHLLOKOSA-N 371.865 3.519 0 40 FHAB COc1ccc([C@@H](CC(=O)Nc2nc3ccccc3s2)NC(C)=O)cc1 11327729 PWTQEYRHJWXGLT-MRXNPFEDSA-N 369.446 3.511 0 40 FHAB CCN(C(C)=O)c1nc(/C=C/c2cc(C(=O)O)c3ccccc3n2)cs1 13272814 WKYHQOLUOOKWGG-CMDGGOBGSA-N 367.430 3.933 0 40 FHAB Cc1cc2c(cc1C)N(C(=O)N[C@@H](c1ccccc1)c1cnn(C)c1)CC2 1322981027 YEASRFBVLVXKPC-NRFANRHFSA-N 360.461 3.899 0 40 FHAB COc1ccc(CCNCc2ccc(Br)s2)cc1OC 21029394 XFMYFSMZJJTYGS-UHFFFAOYSA-N 356.285 3.860 0 40 FHAB CCc1ccc(C(=O)N2CCC[C@](O)(COc3ccc(F)cc3)CC2)cc1 2037912049 DSUSGCRVZKYJKU-JOCHJYFZSA-N 371.452 3.824 0 40 FHAB C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1C1CCN(C(=O)OC2CCCC2)CC1 2056225324 KWUAPPAZGICWES-MNEFBYGVSA-N 362.514 3.815 0 40 FHAB O=C(Nc1nnc(C2=COCCO2)o1)c1sc2ccccc2c1Cl 4264496 SASXPMDQGKFGPV-UHFFFAOYSA-N 363.782 3.535 0 40 FHAB Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)CC(C)C)CC3)n2)cc1 9573232 LTGRYZIRSKKAPT-UHFFFAOYSA-N 367.497 3.532 0 40 FHAB Cc1ccccc1Cn1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1=O 15882973 DDUHSXXYXGHZMT-UHFFFAOYSA-N 354.356 3.736 0 40 FHAB O=C(/C=C/c1cccs1)NC[C@@H]1CCCN1c1nc2ccccc2o1 206771025 RQOMEBJDOKDUQR-HBWSCVEGSA-N 353.447 3.688 0 40 FHAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(Br)cc1 1001126 DQHVSNBSRIQMHK-UHFFFAOYSA-N 359.223 3.828 0 40 FHAB C[C@H]1C[C@@H](C)CN(C(=O)c2cccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c2)C1 18062117 SRAMYIJDMNTNGV-TVFCKZIOSA-N 356.510 3.923 0 40 FHAB O=C(NCCC(=O)N1CCCc2ccccc21)c1ccc(F)cc1Cl 40122519 OGAJTMMXIGKRLU-UHFFFAOYSA-N 360.816 3.578 0 40 FHAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccccc1S(C)(=O)=O 30899158 QODMRTYKOAFJNF-UHFFFAOYSA-N 372.273 3.669 0 40 FHAB CN1C(=O)C[C@@H](C(=O)Nc2cccc(Br)c2)[C@H]1c1ccccc1 20427359 VNJSPWKDWNKUKR-NVXWUHKLSA-N 373.250 3.607 0 40 FHAB Fc1ccc(C2=C[C@H](c3cccc(Br)c3)n3nnnc3N2)cc1 101104726 IILBBJSPUVQEFT-OAHLLOKOSA-N 372.201 3.631 0 40 FHAB Cc1ccc(N[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 825248 ZEBQCUAUAMAPFH-HNNXBMFYSA-N 359.223 3.502 0 40 FHAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)n3c2SCC3)cc1 1464749 WWQSVINWRMSWQH-UHFFFAOYSA-N 356.472 3.797 0 40 FHAB Cn1cc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)c2ccccc21 20936089 HJUKSMCUKFJQIN-IBGZPJMESA-N 351.450 3.728 0 40 FHAB CCOc1ccc(-c2nnc(SCc3ccc(C)c(C)c3)n2N)cc1 2389766 BLUYYIGGIOFKAM-UHFFFAOYSA-N 354.479 3.967 0 40 FHAB COc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 3060568 ZTGUSHMMBJFDRS-JTQLQIEISA-N 367.232 3.818 0 40 FHAB Cc1cc(C)nc(N2CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC2)n1 4388963 MVDQDQQJDIVOQS-HXUWFJFHSA-N 364.493 3.504 0 40 FHAB Cc1ccc2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2c1 4745090 AFNFHRQBCMHMKL-UHFFFAOYSA-N 366.486 3.659 0 40 FHAB CCC[C@@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)NC2CCCCC2)c1 6415529 VHZQJLLEPVVERW-OAHLLOKOSA-N 366.527 3.524 0 40 FHAB Cc1cccc(C(=O)OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)c1 7939998 IXSYOYLLZXBUKC-UHFFFAOYSA-N 369.417 3.603 0 40 FHAB COc1ccc(-c2noc(CCC(=O)N(C)[C@@H](C)c3ccccc3)n2)cc1 10431624 GPDAVLGSTSKATR-HNNXBMFYSA-N 365.433 3.897 0 40 FHAB COc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 8060610 GDVUCTVSGFEQTF-UHFFFAOYSA-N 368.861 3.934 0 40 FHAB Cc1ccc(Sc2ncccc2C(=O)NC2CCC(O)CC2)c(C)c1 32958354 YBRFSJIWAIDTLS-UHFFFAOYSA-N 356.491 3.883 0 40 FHAB C[C@@H](OC(=O)[C@@H]1COc2ccccc2O1)C(=O)C12CC3CC(CC(C3)C1)C2 32940089 KNKUOCYDGDQSEX-QLLPIWALSA-N 370.445 3.544 0 40 FHAB COc1ccc2cc(CNC(=O)CCCc3nc(C(C)C)no3)ccc2c1 32922011 FAGWLACSEGJEDI-UHFFFAOYSA-N 367.449 3.994 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1C 10684213 RGCLLFPXNSJPAD-HOTGVXAUSA-N 354.450 3.929 0 40 FHAB Cc1cc(COC(=O)c2ccccc2N(C)C(=O)c2cccs2)on1 21735995 IZXRPQFUCWWAMY-UHFFFAOYSA-N 356.403 3.678 0 40 FHAB Cc1ccc(C2=C[C@@H](c3cccs3)n3nc(CCCO)nc3N2)cc1 100892656 CZSIDFUMVQCYBY-INIZCTEOSA-N 352.463 3.629 0 40 FHAB CCCOc1ccc(N2C(=O)C[C@@H](Nc3ccc(SC)cc3)C2=O)cc1 103022454 KAACUKXNDHMWNM-GOSISDBHSA-N 370.474 3.941 0 40 FHAB Clc1cccc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)c1 641682 YDQJWVXZWZBFQJ-UHFFFAOYSA-N 366.837 3.904 0 40 FHAB aggregator COc1ccc(-c2ccc(CCC(=O)Nc3ccc(N(C)C)nc3)o2)cc1 22420544 QNRHEKMNOPYDSJ-UHFFFAOYSA-N 365.433 3.988 0 40 FHAB O=C(Nc1nnc(-c2ccccn2)s1)[C@H]1CCCC[C@@H]1C(F)(F)F 46756809 UTPROPUNFJURAL-UWVGGRQHSA-N 356.373 3.907 0 40 FHAB C[C@@H](NC(=O)c1cccc(I)c1)c1ccccc1 826229 PWTJXCSQEWPNLD-LLVKDONJSA-N 351.187 3.782 0 40 FHAB Cc1cc(=O)oc2cc(OCc3noc(-c4ccc(F)cc4)n3)ccc12 23105031 WMSBVAKGJONSOI-UHFFFAOYSA-N 352.321 3.870 0 40 FHAB Cc1cc(=O)n(CC(=O)N(C)c2ccccc2)c(-c2cccc(Cl)c2)n1 57526833 DZGPAPKAUZAOGZ-UHFFFAOYSA-N 367.836 3.535 0 40 FHAB CCn1cc([C@H](C)NC(=O)c2ccc(COCC(F)(F)F)cc2)c(C)n1 1012135 TZASQBLBQRTIQP-LBPRGKRZSA-N 369.387 3.781 0 40 FHAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCc4sccc4[C@@H]3C)c12 24864612 MCQSFZLWHVEXHS-LBPRGKRZSA-N 366.490 3.975 0 40 FHAB CCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1)c1ccccc1C 24921233 QMGHTFKJZPQILT-AWEZNQCLSA-N 358.388 3.679 0 40 FHAB Cc1ccc([C@H](NC(=O)CN2CCSC2=O)c2ccccc2)cc1C 25030335 JTXQEYUCNBSHHC-LJQANCHMSA-N 354.475 3.678 0 40 FHAB CCOC(=O)COc1ccc2c(=O)c(Oc3ccc(C)cc3)coc2c1 1504609 YFRLXLOXENYJPV-UHFFFAOYSA-N 354.358 3.836 0 40 FHAB Cc1ccc(C(=O)CCC(=O)Nc2cc(N3CCOC3=O)ccc2F)cc1 56209608 DGAVVDQPSYHFQV-UHFFFAOYSA-N 370.380 3.692 0 40 FHAB O=C1N[C@H](c2ccc(OCc3cn4ccccc4n3)cc2)Nc2ccccc21 12524811 DXYXCBFASGCIOW-OAQYLSRUSA-N 370.412 3.767 0 40 FHAB CCCn1ccnc1S[C@H](C)C(=O)c1ccc2c(c1)CCN2C(C)=O 26042108 RNIYNJOOGYRERG-CYBMUJFWSA-N 357.479 3.566 0 40 FHAB CN(C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)[C@H]1CCc2ccccc21 26199353 DJZURTCQBYZROC-VQTJNVASSA-N 364.445 3.564 0 40 FHAB CCc1ccccc1NC(=O)COc1cc(C)nc(N2CCC[C@H](C)C2)n1 44168396 NUUWEWIUPGVYRG-HNNXBMFYSA-N 368.481 3.601 0 40 FHAB CCOc1ccc(N2C(=O)S/C(=C3/C(=O)Nc4ccccc43)C2=O)cc1 1750688 QOCLDJRZNUMPNQ-FOCLMDBBSA-N 366.398 3.649 0 40 FHAB CN(C)[C@H](CNC(=O)Nc1cccc(OC(F)F)c1)c1ccsc1 47906531 IJSLQYKVYHLCRC-CQSZACIVSA-N 355.410 3.774 0 40 FHAB CC(C)c1cc(C(=O)NC2CCN(c3ccccn3)CC2)nn1C(C)(C)C 44525550 MFRHGLLDMYLESI-UHFFFAOYSA-N 369.513 3.555 0 40 FHAB CC(C)n1ncc2cc(NC(=O)N[C@H](C)CCc3ccc(O)cc3)cnc21 48064182 VAIBYMBVQOKABN-CQSZACIVSA-N 367.453 3.861 0 40 FHAB CC(C)C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1cccs1 58226616 GHTOQWWOHLVWEF-INIZCTEOSA-N 369.490 3.821 0 40 FHAB Cc1nn(C(=O)CCn2c(=O)sc3ccccc32)c2c1[C@H]1[C@@H](C2)C1(C)C 2139926 OWHJFFOIAGJQFZ-KZULUSFZSA-N 367.474 3.594 0 40 FHAB biogenic CC(C)N1CC[C@H](CNC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1 58325563 GHWSVKMPSOIGHC-OAHLLOKOSA-N 359.470 3.580 0 40 FHAB CN(C)C(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 3331813 NVKPJKNNAYNIND-UHFFFAOYSA-N 368.820 3.800 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)COc1cccc(Br)c1 3356578 MGVGOLNOVJYSCE-LBPRGKRZSA-N 364.239 3.714 0 40 FHAB Cc1ccc(CCC(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)cc1 12744721 KTAWRRAHAKGEJI-IYBDPMFKSA-N 373.522 3.632 0 40 FHAB CSc1nc(C)c(CCC(=O)Nc2ccnn2C2CCCC2)c(C)n1 12796261 XCWIVJPWEFLNRR-UHFFFAOYSA-N 359.499 3.698 0 40 FHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(-c2ccccc2)on1 48272437 QNBDUAKBHWCLJB-UHFFFAOYSA-N 350.374 3.733 0 40 FHAB CC(C)CNC(=O)[C@H](C)Sc1nc(C(F)(F)F)nc2ccccc12 8174443 GJAVJXSRYBWQCG-JTQLQIEISA-N 357.401 3.901 0 40 FHAB CCc1c(C(=O)OCc2sc3ccccc3c2Cl)cnc2ncnn12 48340976 CGPHFNLCSHUWRY-UHFFFAOYSA-N 372.837 3.912 0 40 FHAB Cc1ccccc1NC(=O)[C@H](C)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12871130 OMRSGQRINMGSON-ZWKOTPCHSA-N 365.477 3.673 0 40 FHAB c1coc(-c2nnc(CN3CCC[C@@H]3c3ccc4c(c3)OCCCO4)o2)c1 12868066 FCLISXPUUQZHOL-OAHLLOKOSA-N 367.405 3.828 0 40 FHAB O=C(Nc1cccc(-c2nnn[nH]2)c1)c1ccccc1COc1ccccc1 12927418 QVUNINRMTKIQIM-UHFFFAOYSA-N 371.400 3.698 0 40 FHAB CC[C@@H](C)c1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(F)cc2)cc1 13073828 SSRDUMYTKJIBAU-OAHLLOKOSA-N 371.456 3.848 0 40 FHAB O=C(NCc1ccccc1Cl)N1CCC([C@H](O)c2ccccc2)CC1 13010742 AWZZVQYJLPEADP-LJQANCHMSA-N 358.869 3.995 0 40 FHAB COc1ccccc1N1CCn2c(nc3cc(NC(=O)C(C)C)ccc32)C1 13690386 QNWHMDIUFGQVTJ-UHFFFAOYSA-N 364.449 3.660 0 40 FHAB CCOC(=O)[C@H](Sc1nncn1-c1ccccc1F)c1ccccc1 6129243 SNVOOINCRIKAFP-MRXNPFEDSA-N 357.410 3.803 0 40 FHAB O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1c(F)cccc1Cl 6219356 NFJXTLTWNATRGZ-QGZVFWFLSA-N 371.799 3.624 0 40 FHAB O=C(COc1ccc2ccccc2c1)NCc1nc(-c2ccsc2)no1 65487539 DFOYNXPTNFLTBL-UHFFFAOYSA-N 365.414 3.647 0 40 FHAB CCOc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 14186736 QARCRRZVPCZSBD-FQEVSTJZSA-N 373.474 3.814 0 40 FHAB O=C(NCc1ccc(CN2CCCC2)cc1)c1cccc(Br)c1 8406335 CKYTWDQQEBWXEU-UHFFFAOYSA-N 373.294 3.975 0 40 FHAB Fc1ccccc1[C@H]1C2=C(N=C3N=CNN31)c1cc(Cl)ccc1OC2 5577014 OFBUFVSZMBDWBU-KRWDZBQOSA-N 354.772 3.542 0 40 FHAB CCCCc1ccc(NC(=O)COC(=O)c2n[nH]c3ccccc23)cc1 4825201 QGKDBKUMWMZMAS-UHFFFAOYSA-N 351.406 3.701 0 40 FHAB Cc1ccc(NC(=O)c2cnn(-c3ccccc3)n2)c(Br)c1 6882204 DMUOFEHYCOTXQZ-UHFFFAOYSA-N 357.211 3.591 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H](NCc1ccccn1)c1ccccc1 7224770 YJICXQTYTDCJEZ-OAQYLSRUSA-N 361.445 3.868 0 40 FHAB CCCc1cc(=O)[nH]c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)n1 15805399 DRFFUUACRBVZNH-NSHDSACASA-N 365.886 3.804 0 40 FHAB O=c1c2ccccc2nc(/C=C\c2ccccc2O)n1-c1ccc(O)cc1 71328747 CTVLQPGLWTXVEU-ZROIWOOFSA-N 356.381 3.967 0 40 FHAB CCc1c(Cl)nc(C)nc1N1CCC[C@H](C(=O)Nc2ccccc2)C1 76061484 JEGYCEXFAOYSDN-AWEZNQCLSA-N 358.873 3.856 0 40 FHAB Cc1ccc(NC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1Cl 9365379 MGFPPUDBJVNGQJ-UHFFFAOYSA-N 371.746 3.826 0 40 FHAB O=C(CCc1cccnc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 9368611 GUGIQPCDEWOBFT-UHFFFAOYSA-N 367.430 3.548 0 40 FHAB O=C1C[C@H](c2ccc(C(=O)O)cc2)c2c(-c3ccc(Cl)cc3)n[nH]c2N1 9421587 HKJDDJUPHPJONH-CQSZACIVSA-N 367.792 3.902 0 40 FHAB COc1cc2ccccc2cc1C(=O)OCc1csc(NC(C)=O)n1 9456377 SKSOQXPIOKJEGM-UHFFFAOYSA-N 356.403 3.620 0 40 FHAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1nc(N2CCCC2)ncc1Cl 71800071 UGKUGZNZLFFGTB-UHFFFAOYSA-N 374.916 3.676 0 40 FHAB CC(=O)c1cccc(OCCCC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)c1 72303571 YZKJBVAGIQWLEH-CYBMUJFWSA-N 373.453 3.606 0 40 FHAB C[C@H](c1cc(F)ccc1F)N(C)C(=O)Cc1ccc(N2CCCC2=O)cc1 84647450 PTXVTVFTAWBKDB-CQSZACIVSA-N 372.415 3.854 0 40 FHAB Cc1ccc2c(c1)N(C[C@H](O)COc1cccc3[nH]ccc13)CCCO2 95459744 QETMBJGYWYCAPQ-INIZCTEOSA-N 352.434 3.505 0 40 FHAB Cc1nc2cc(CSc3nnc(NC[C@H]4CCCO4)s3)ccc2[nH]1 95941662 LLYMWGVCUFMZQZ-GFCCVEGCSA-N 361.496 3.606 0 40 FHAB O=C(Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccccc2)C1)C1CCCC1 95998726 BNKOPLZAHLMEPP-QGZVFWFLSA-N 366.465 3.558 0 40 FHAB Clc1ccc(COc2ccc(CNCCCN3CCOCC3)cc2)cc1 22074026 VNLUISLWIRXBDL-UHFFFAOYSA-N 374.912 3.731 0 40 FHAB Cn1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 409245615 WODMRLKNXKELKG-MHWRWJLKSA-N 351.793 3.929 0 40 FHAB NCC1CCC(c2c(C(=O)N3CCOCC3)sc3ccccc23)CC1 72345876 PMTNKLZWYJETTM-UHFFFAOYSA-N 358.507 3.606 0 40 FHAB Cc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccccc3Cl)n2)cc1 219061993 OIECDVACAIOUHH-ZDUSSCGKSA-N 371.824 3.782 0 40 FHAB C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccccc1 408708440 QFGKJOOTXLFAGR-GDBMZVCRSA-N 356.853 3.613 0 40 FHAB Cc1cccc(-c2c[nH]c3c(SCC(=O)N4CCCC4)ncnc23)c1 71328139 YNZOWUVNIFVDBE-UHFFFAOYSA-N 352.463 3.648 0 40 FHAB Cc1nnc(SCC(=O)Nc2cccc(F)c2)n1-c1ccc(F)cc1 35289489 FCBFJNALKOXUTB-UHFFFAOYSA-N 360.389 3.585 0 40 FHAB Fc1ccc(-c2cn[nH]c2[C@@H]2CCCN(c3ncnc4[nH]ccc34)C2)cc1 67674538 BBHRNSXCGIVDDK-CQSZACIVSA-N 362.412 3.871 0 40 FHAB O=C(NCc1ccccn1)c1ccc(CN2CCCc3ccccc32)cc1 216266419 ORPBZZJVCNIDNX-UHFFFAOYSA-N 357.457 3.964 0 40 FHAB CC[C@H](C)N1C(=O)c2ccc(C(=O)Nc3ccc4[nH]ccc4c3)cc2C1=O 32095088 XOYUNAGUIULEIT-LBPRGKRZSA-N 361.401 3.815 0 40 FHAB CNc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(F)c(F)c3)n2)cn1 35426105 VWFVPXNBUVYTFS-INIZCTEOSA-N 371.391 3.789 0 40 FHAB biogenic,in-vitro COc1cc2c(cc1OC)CN(C(=O)c1sccc1-n1cccc1)CC2 31239650 BMGXOMIEMGTZBE-UHFFFAOYSA-N 368.458 3.755 0 40 FHAB COc1ccc(S(=O)(=O)N(C)Cc2ccccc2F)cc1C(C)C 223740758 DFOASLIESHBABC-UHFFFAOYSA-N 351.443 3.778 0 40 FHAB Cc1ccc(OCCNS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224141504 JIKSRTIYEDFEQZ-UHFFFAOYSA-N 360.262 3.659 0 40 FHAB Cc1ccccc1CN(C(=O)CCc1ccccc1)[C@H](C)C(=O)NC(C)C 225478785 YYRVZHBDFKXWOW-LJQANCHMSA-N 366.505 3.870 0 40 FHAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)ccc1C 223801832 DRCNOHCEVDWQJA-UHFFFAOYSA-N 374.245 3.889 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)NCCSC1CCCCC1 224994782 OQVUCGVFRRAGOP-UHFFFAOYSA-N 363.932 3.693 0 40 FHAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCOC)nc1 225908122 YLEHECIKCUSSRC-IBGZPJMESA-N 352.475 3.811 0 40 FHAB COc1ccc(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1C 224963660 WIICPWMFWBZQDA-UHFFFAOYSA-N 354.450 3.713 0 40 FHAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(C)=O 223045056 AZURCVYVXDRTIP-NRFANRHFSA-N 352.478 3.563 0 40 FHAB Cc1ccc(C)c(OCCNC(=O)COc2cccc(C(F)(F)F)c2)c1 224053693 PVKCRQYEVUFCJZ-UHFFFAOYSA-N 367.367 3.896 0 40 FHAB Cc1nccn1-c1ccc(CNC(=S)Nc2ccc(F)cc2F)cc1 225457397 PLCKHPOHHVFKFC-UHFFFAOYSA-N 358.417 3.946 0 40 FHAB Cc1ccccc1OC[C@@H](C)NC(=O)COc1cccc2c1CCCC2 225267963 JGWOHLNDYPFXMC-QGZVFWFLSA-N 353.462 3.836 0 40 FHAB COc1ccc2cc(S(=O)(=O)NCCSC(C)(C)C)ccc2c1 223333256 ZNIQMLNULDCYOM-UHFFFAOYSA-N 353.509 3.658 0 40 FHAB COc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)c2ccccc12 225927600 PJZOTEOAJFQLEX-UHFFFAOYSA-N 356.422 3.844 0 40 FHAB CCN(Cc1ccc(C(=O)O)c(Cl)c1)C[C@H]1COc2ccccc2O1 576405333 KKVIGVYZDHCTJO-AWEZNQCLSA-N 361.825 3.700 0 40 FHAB Cc1occc1C(=O)N1CCOC[C@@H]1c1csc(-c2ccccc2)n1 96218785 UKDXMWQFIRLHJE-QGZVFWFLSA-N 354.431 3.925 0 40 FHAB COc1ccccc1-n1cc(C(=O)Nc2ccccn2)c2ccccc2c1=O 95479821 DBTLSIKDHZYSOA-UHFFFAOYSA-N 371.396 3.647 0 40 FHAB O=C(C[C@H]1OCCc2ccccc21)NC1CCN(c2ccc(F)cc2)CC1 583652246 JMUAJEHWQWFDAZ-OAQYLSRUSA-N 368.452 3.615 0 40 FHAB C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1ccon1 585113631 BHAPCBLSNLEDJN-MRXNPFEDSA-N 354.328 3.811 0 40 FHAB CN1CCCCC[C@@H]2N(C(=O)c3ccn(C)n3)[C@H](c3ccccc3)C[C@@]21C 257342150 ZNGTYJFKACAOSK-ONTIZHBOSA-N 366.509 3.640 0 40 FHAB CCc1nccn1CCCNC(=O)c1sc(C)nc1-c1ccccc1 257173306 JFJASRVFENNTRI-UHFFFAOYSA-N 354.479 3.698 0 40 FHAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(C)[C@H]1CCO[C@@H]1c1cccnc1 671952127 HVSSUFOBORZDQO-PZPBNIOOSA-N 374.525 3.847 0 40 FHAB OC[C@@H](NCc1cc2n(n1)CCCC2)c1ccc(Cl)cc1C(F)(F)F 649596091 JTSUTTDKUCNYKH-MRXNPFEDSA-N 373.806 3.715 0 40 FHAB Cc1nc(C)c(CN2CCC[C@]3(C2)CN(CC2CCCCC2)C3=O)s1 585099275 AJJCCLSMDNYTAL-FQEVSTJZSA-N 361.555 3.765 0 40 FHAB O=S(=O)(CCCN1CCCSc2ccccc21)c1ccc(F)cc1 64138310 QDYUTTSSZFSRIM-UHFFFAOYSA-N 365.495 3.992 0 40 FHAB CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc(C(C)C)cc2)n2ncnc2N1 13131274 FLWRSRIBFREAKX-IBGZPJMESA-N 374.448 3.724 0 40 FHAB CCCNc1c(NC(=O)COc2ccccc2C)c(=O)oc2ccccc12 13364916 YUGWICVMFLJASG-UHFFFAOYSA-N 366.417 3.941 0 40 FHAB O=C(NCc1cccc(C(F)(F)F)c1)c1nc(-c2ccc(F)cc2)no1 15082192 AVIXRMFZJYWLPC-UHFFFAOYSA-N 365.286 3.825 0 40 FHAB C[C@H](CN1CCCC[C@@H]1c1ncc2c(n1)CCN(C)C2)c1ccccc1 19456145 AAHATHJUMQGFQP-DYESRHJHSA-N 350.510 3.795 0 40 FHAB CCOCCCNc1ncc(-c2ccccc2F)c(-c2nccn2C)n1 19531060 STQQMTKAFLNPQR-UHFFFAOYSA-N 355.417 3.522 0 40 FHAB C[C@H](NC(=O)[C@H]1CCN(C(=O)c2ccccc2)C1)c1c(F)cccc1Cl 625981323 OOIFZZNENKUVPX-ZFWWWQNUSA-N 374.843 3.819 0 40 FHAB Cn1c(N2CCC(c3noc4cc(F)ccc34)CC2)nc2cccnc21 1888910337 CJOHFWDUIUPNEB-UHFFFAOYSA-N 351.385 3.633 0 40 FHAB Cc1ccc(Nc2nccc([C@H]3CCCN3Cc3ccc(O)cc3)n2)nc1 2037635270 VTABYYPEGQVXFG-LJQANCHMSA-N 361.449 3.966 0 40 FHAB Cc1cc(OC[C@@]2(O)CCCN(C(=O)C3CCC3)CC2)cc(C)c1Cl 2037912008 BJRAJGKGCSXWIZ-HXUWFJFHSA-N 365.901 3.879 0 40 FHAB CCOC(=O)c1cnc2cc(-c3cccc(Br)c3)nn2c1C 840530 BWDZDAPWWLTIBH-UHFFFAOYSA-N 360.211 3.644 0 40 FHAB Fc1ccc(-n2nnc3c(SCc4cccc(F)c4)ncnc32)cc1 4166701 JGJLXKHTIBMFQQ-UHFFFAOYSA-N 355.373 3.781 0 40 FHAB CCOc1ccc(N2C[C@@H](NC(=O)c3ccc4ccccc4c3)CC2=O)cc1 4497258 RCKMSQIIFCRVKD-IBGZPJMESA-N 374.440 3.774 0 40 FHAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc3c(C)c(C)ccc3s2)cc1 4585896 DFCXYWMTMUGMEH-UHFFFAOYSA-N 374.487 3.959 0 40 FHAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(C)=O)cc1OC 5107068 PAYLYVGLGOJIAZ-UHFFFAOYSA-N 354.362 3.661 0 40 FHAB CCc1ccccc1N(C(=O)c1cccc(C)c1)[C@@H]1C=CS(=O)(=O)C1 6805823 AUXVHLIVZYJRIO-GOSISDBHSA-N 355.459 3.515 0 40 FHAB COc1ccc(-c2cs/c(=N\c3ccccc3C)n2CCO)cc1OC 9317456 CFQTXWHBCUXFQG-MRCUWXFGSA-N 370.474 3.767 0 40 FHAB O=C(OCc1cc(-c2ccc(F)cc2)on1)C(=O)c1c[nH]c2ccccc12 11613667 NAWDUBWGJHHHMA-UHFFFAOYSA-N 364.332 3.888 0 40 FHAB CC(=O)Nc1ccc(CC(=O)NCc2cncc(-c3ccsc3)c2)cc1 206945651 YFQVZHYLLZNFMK-UHFFFAOYSA-N 365.458 3.627 0 40 FHAB O=C(Cc1ccccc1)Nc1nnc(-c2ccc(Br)s2)o1 11695466 JRJICMJKZRTBNH-UHFFFAOYSA-N 364.224 3.742 0 40 FHAB Cc1ccc2c(N)c(C(=O)Nc3ccc(C(F)(F)F)cn3)sc2n1 215709243 PREYKCWVOYEBGU-UHFFFAOYSA-N 352.341 3.853 0 40 FHAB Cc1ccc(-n2cnnc2SCC(=O)N[C@@H](C)c2cccc(F)c2)cc1 40050867 WVJHTXDTXOBALB-AWEZNQCLSA-N 370.453 3.684 0 40 FHAB CCc1ccccc1NC(=O)CNC(=O)c1[nH]c2ccccc2c1Cl 40144779 OQDDVMWVPNPSLX-UHFFFAOYSA-N 355.825 3.752 0 40 FHAB COc1ccc(C2=C[C@H](c3ccc(F)c(F)c3)n3ncnc3N2)cc1OC 100758058 BSSNXTPUPXSKTH-MRXNPFEDSA-N 370.359 3.630 0 40 FHAB CCC[C@@H]1[C@@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@H]2ON1c1ccccc1 101063882 QSKYXFFJXIDPSS-HBFSDRIKSA-N 364.445 3.782 0 40 FHAB COc1cc(C(=O)Nc2cccc(C(=O)NCC(F)(F)F)c2)ccc1C 11462092 PNCUWAQHOMAFHM-UHFFFAOYSA-N 366.339 3.548 0 40 FHAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1CCc2ccccc2C1 7903474 RGIXVTCQGJPLMV-ZDUSSCGKSA-N 368.506 3.556 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1 1511279 ZWFASSJJSCDUKJ-UHFFFAOYSA-N 364.430 3.530 0 40 FHAB Cc1cccc2c1N(CCOc1ccc(Cl)cc1Cl)C(=O)C2=O 4475994 BUKBIMZQRCFTNL-UHFFFAOYSA-N 350.201 3.910 0 40 FHAB C[C@@H](NC(=O)c1cccs1)C(=O)OCc1ccc(Cl)c(Cl)c1 32869335 WNLRHZGXNPATEI-SECBINFHSA-N 358.246 3.917 0 40 FHAB C[C@H](CNS(=O)(=O)c1ccc(Br)s1)c1ccccc1 7309656 DNJORIQEWHEAFT-SNVBAGLBSA-N 360.298 3.593 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1 7882226 BIMXDYVXNVGGJA-AWEZNQCLSA-N 356.809 3.534 0 40 FHAB CCOc1ccc(N2C[C@@H](C(=O)Oc3cc(C)ccc3C)CC2=O)cc1 7929210 OPZVVBMXEQDUEV-INIZCTEOSA-N 353.418 3.661 0 40 FHAB CC1CCN(C(=O)COC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)CC1 32945380 XAQBDKNPOQQVDF-OAHLLOKOSA-N 368.477 3.708 0 40 FHAB CCc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2)cc1 8412948 XAGNFOGMABCKOJ-UHFFFAOYSA-N 368.433 3.540 0 40 FHAB Cc1cccc(NC(=O)CCC(=O)OCC(=O)Nc2c(C)cccc2C)c1 8413082 RPNCYUOIWDHBGX-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB CCCCCNC(=O)C1CCN(c2ncnc3c2oc2ccccc23)CC1 33169548 ULTRYNMGVLGVSN-UHFFFAOYSA-N 366.465 3.899 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC(Nc3ccccc3C)CC2)c1C 58428990 ZWTUASZRQNZGGU-UHFFFAOYSA-N 353.466 3.859 0 40 FHAB Cc1ccc(-n2nnnc2SCCC(=O)Nc2ccc(Cl)cc2)cc1 12274316 VLENOLITRPBNGV-UHFFFAOYSA-N 373.869 3.745 0 40 FHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 20457869 ZTMHYIMPTZUHKE-UHFFFAOYSA-N 353.827 3.626 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 12327162 GVXYZJRGROXQAZ-ROUUACIJSA-N 365.477 3.673 0 40 FHAB CCOC(=O)c1c(NC(=O)c2c(F)cccc2F)sc2c1CCC2 944320 ZLQNZCVNOVRWKP-UHFFFAOYSA-N 351.374 3.944 0 40 FHAB O=C(CSc1ccc2c(c1)OCCCO2)c1ccc2c(c1)OCCCO2 61348684 ZZCZAISCUIZELR-UHFFFAOYSA-N 372.442 3.984 0 40 FHAB Cc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1 1142878 XFBXTASZRVWGSO-GZTJUZNOSA-N 366.442 3.978 0 40 FHAB CC(=O)c1ccc(NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)cc1 24574304 JKDKRHVPJTWOHA-UHFFFAOYSA-N 374.322 3.741 0 40 FHAB Cc1cc(C(=O)COC(=O)CCc2ccc3c(c2)OCO3)c(C)n1C1CC1 12451280 XRVHWYLBRLTMIN-UHFFFAOYSA-N 369.417 3.527 0 40 FHAB CC(=O)Nc1ccc(NCc2nc(CC(C)C)no2)c(C(F)(F)F)c1 55832435 PNAZUVMFPQKPIB-UHFFFAOYSA-N 356.348 3.857 0 40 FHAB Cc1noc([C@H](C)OC(=O)c2cc(-c3ccncc3)nc3ccccc23)n1 27059101 NVQCESNPKQPOHD-LBPRGKRZSA-N 360.373 3.906 0 40 FHAB O=C(COC(=O)CCSc1ccccc1)Nc1cc(F)ccc1F 3264950 VWIDXKFTNCHXRQ-UHFFFAOYSA-N 351.374 3.629 0 40 FHAB O=c1[nH]c(CN2CCC[C@H]2c2ccccc2)nc2sc3c(c12)CCC3 10339892 RJDHRXOXBARNCP-HNNXBMFYSA-N 351.475 3.810 0 40 FHAB CCO[C@H]1C[C@@H](NC(=O)CCc2nc3ccccc3[nH]2)C12CCCCC2 175845148 FYSSJRUBEWSNIK-MSOLQXFVSA-N 355.482 3.740 0 40 FHAB C[C@@H](Sc1nnc(-c2ccccc2)n1C)C(=O)N(C)c1ccccc1 3361783 CVMKDXDDUAOHSY-CQSZACIVSA-N 352.463 3.626 0 40 FHAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)c1ccc(SC)cc1 20029836 CDNSSEMKOTUMEX-ZDUSSCGKSA-N 351.493 3.765 0 40 FHAB CC1CCC(C(=O)N[C@@H](C(=O)N2CCc3ccccc3C2)C(C)C)CC1 2460115 QSFQVPISEAZTBK-OUNSHVDWSA-N 356.510 3.538 0 40 FHAB C[C@@H](Sc1cc(C(N)=O)c2ccccc2n1)C(=O)Nc1cccc(F)c1 12788307 AZGKTDWWBANWBV-LLVKDONJSA-N 369.421 3.592 0 40 FHAB CCCCc1ccc(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 12781668 ONLDFWJJHUCGAU-MRXNPFEDSA-N 373.518 3.853 0 40 FHAB O=C(Nc1nc(CN2CCCCC2)cs1)C1=Cc2ccccc2OC1 48333991 DXDZNEBCSZRKEB-UHFFFAOYSA-N 355.463 3.544 0 40 FHAB CC(=O)c1ccccc1OCCN1c2cccc3cccc(c23)S1(=O)=O 12864062 NZDPHJVYHKTQJB-UHFFFAOYSA-N 367.426 3.630 0 40 FHAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cccc3cccnc23)CC1=O 12851941 WLYRCZWCRAVHCQ-QAPCUYQASA-N 359.429 3.783 0 40 FHAB NC(=O)[C@@H](OC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccccc1 12804884 AHWSYMBFGNARSJ-KRWDZBQOSA-N 365.410 3.691 0 40 FHAB Cc1nn(C)c2ncc(C(=O)N(C)Cc3ccc(Cl)cc3Cl)cc12 12803527 KZLRLLTUBYTUJW-UHFFFAOYSA-N 363.248 3.856 0 40 FHAB CCOC(=O)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 3455504 DCPQZEDTFBGXDX-UHFFFAOYSA-N 368.462 3.637 0 40 FHAB CCOc1ccc(C(C)=O)cc1COC(=O)c1cc(=O)c2ccccc2o1 3513411 JQPKNJUWHRIBNX-UHFFFAOYSA-N 366.369 3.751 0 40 FHAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(O)c(C(=O)O)c1 20144531 PUOHIZWHILULEJ-UHFFFAOYSA-N 370.188 3.723 0 40 FHAB C[C@@]1(c2ccc(Cl)s2)NC(=O)N(Cc2cccc(F)c2F)C1=O 60374826 GIYOKNXCAKGDEZ-HNNXBMFYSA-N 356.781 3.647 0 40 FHAB O=C(CCC(=O)c1ccc2c(c1)OCCCO2)Nc1ccc(F)cc1F 13070590 QDVPYGDVQKZEGR-UHFFFAOYSA-N 361.344 3.728 0 40 FHAB Cc1noc(C)c1CC(=O)Nc1ccc(Cn2cnc3ccccc32)cc1 63991130 VJRVEDNRAUJGJO-UHFFFAOYSA-N 360.417 3.871 0 40 FHAB Cc1ccc(N(C(=O)CCc2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1C 4165417 OGUYSTWFLKZPGI-FQEVSTJZSA-N 369.486 3.580 0 40 FHAB CCOC(=O)c1sc2nc(/C=C/c3ccc(C)cc3)[nH]c(=O)c2c1C 5071184 BHUCDKZTPYUOIH-MDZDMXLPSA-N 354.431 3.949 0 40 FHAB CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1C 408612766 YQSDQHZRSDIANL-UHFFFAOYSA-N 360.479 3.552 0 40 FHAB O=C(C1CCN(Cc2ncc(-c3ccccc3)o2)CC1)N1CCCCCC1 39992469 HJLNKWZWUWHWEH-UHFFFAOYSA-N 367.493 3.956 0 40 FHAB C=C1c2cc(OC)c(OC)cc2CCN1C(=O)/C=C/c1ccc(F)cc1 5205368 IPNKZHZDDCUCNL-RMKNXTFCSA-N 353.393 3.912 0 40 FHAB CCn1cc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)c(C)n1 13960946 XZLDNZPXMJBMRV-UHFFFAOYSA-N 374.448 3.814 0 40 FHAB O=C(c1cc2ccccc2oc1=O)N1CCC(Nc2ccc(F)cc2)CC1 65515722 YSXNJVQSKRXHRO-UHFFFAOYSA-N 366.392 3.649 0 40 FHAB O=C(/C=C/c1ccc(Cl)cc1)N[C@H](CN1CCOCC1)c1ccccc1 14181530 HUAWICFZLFYNOQ-OJLWIZQOSA-N 370.880 3.543 0 40 FHAB CCCCN1C(=O)[C@](O)(CC(=O)c2ccc(OCC)cc2)c2ccccc21 4554961 OWZPTQZEPCQQNO-QFIPXVFZSA-N 367.445 3.693 0 40 FHAB CC[C@@H](C)NC[C@H](O)COC(c1ccc(OC)cc1)c1ccc(OC)cc1 6553075 CIBXAFWEOIRJJM-APWZRJJASA-N 373.493 3.559 0 40 FHAB C[C@H](NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 6559286 OQSNQINSVQPYBE-INIZCTEOSA-N 352.478 3.981 0 40 FHAB CCOc1ccc2oc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)c(C)c2c1 15574837 JAFRNVROMRKSOB-UHFFFAOYSA-N 351.362 3.562 0 40 FHAB O=C(Cc1csc(-c2ccccc2)n1)N[C@H]1CCOc2ccccc21 7268962 CWAKGECKMILQFJ-KRWDZBQOSA-N 350.443 3.993 0 40 FHAB O=C(NC1CCCCCC1)[C@@H]1CSCN1C(=O)OCc1ccccc1 408738394 SDDNCYYEIZWGSU-KRWDZBQOSA-N 362.495 3.537 0 40 FHAB Cc1cc(C(=O)CSc2nc3ccsc3c(=O)n2C)c(C)n1C1CC1 9048894 IRSGBAADAKOZSX-UHFFFAOYSA-N 373.503 3.723 0 40 FHAB CN(C)CCCn1cnc2oc(-c3ccco3)c(-c3ccco3)c2c1=N 9050708 FMRIWUJXTDOLNI-UHFFFAOYSA-N 352.394 3.580 0 40 FHAB NC(=O)c1ccccc1OCC(=O)N(c1ccccc1)C1CCCCC1 9247976 AELJSPOUPFFNBQ-UHFFFAOYSA-N 352.434 3.530 0 40 FHAB C[C@@H]1CCC[C@@H](N2CCC(N3CCN(Cc4ccccc4)CC3)CC2)C1 19888815 KZAYPWPXFXBOLG-NFBKMPQASA-N 355.570 3.847 0 40 FHAB CCCCC(=O)Nc1nc(-c2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)s1 19820141 JKEVMBCHSNZJJH-JTQLQIEISA-N 359.451 3.967 0 40 FHAB CC[C@H](C)NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 22531326 CDKLTFANQQWGGL-LBPRGKRZSA-N 366.870 3.669 0 40 FHAB Clc1ccc(SCCN2CCC(CCN3CCOCC3)CC2)cc1 71853932 HODDMTVISRDRDO-UHFFFAOYSA-N 368.974 3.866 0 40 FHAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccc(O)cc2O)S1 408813681 NTPXSLJUDDJOQS-UHFFFAOYSA-N 361.830 3.823 0 40 FHAB Cc1ccc(-c2cnc(CCC(=O)N3CCC[C@@H]3[C@@H]3CCCC3=O)o2)cc1 95451313 DMZBCTUTPKPWAY-ZWKOTPCHSA-N 366.461 3.943 0 40 FHAB O=C(COc1ccc(F)cc1Br)Nc1ccc(Cl)cc1O 95974008 PJZYMSLZNPJWBB-UHFFFAOYSA-N 374.593 3.965 0 40 FHAB C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1ccc(=O)[nH]c1)C1CC1 74482479 RNVYHMWADNXMSC-NSHDSACASA-N 350.340 3.760 0 40 FHAB Cc1ccccc1-n1nc(C(=O)NC[C@@]2(C)CCCS2)c2c1CCC2 79101992 QDPSYBVGAUMNJZ-HXUWFJFHSA-N 355.507 3.685 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)C)ccc2C)c(C)c1 409383918 OXIAAGFQXTZOED-UHFFFAOYSA-N 360.479 3.551 0 40 FHAB Cc1cccc(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 39757840 BHJQOIGUYWDHID-UHFFFAOYSA-N 352.434 3.574 0 40 FHAB O=C(O[C@H](C(=O)NCCc1ccccc1)c1ccccc1F)c1ccco1 35289201 WTPVKKNQFYXDMG-IBGZPJMESA-N 367.376 3.676 0 40 FHAB CC(C)(C)CC(C)(C)NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 224411780 WZUATGNXLVZFCK-UHFFFAOYSA-N 360.907 3.656 0 40 FHAB O=C(c1cccc(Br)c1)N1CC(COc2ccc(F)cc2)C1 225560508 XHNXFISFFYFKMG-UHFFFAOYSA-N 364.214 3.739 0 40 FHAB COc1ccc(C(=O)NC[C@@](C)(O)c2ccc(-c3ccccc3)cc2)cc1 75155384 UAWSZOCQOHJYNF-HSZRJFAPSA-N 361.441 4.000 0 40 FHAB CCCC(=O)N(Cc1cccc(OC)c1)[C@@H](CC)C(=O)NC1CCCC1 224564731 CILRCWBOOJHTNY-IBGZPJMESA-N 360.498 3.661 0 40 FHAB CCc1ccc(CC)c(CNS(=O)(=O)c2c(C)cc(OC)cc2C)c1 224030294 WOGIAWGIQFZMAT-UHFFFAOYSA-N 361.507 3.915 0 40 FHAB CCCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCCc1ccccc1 222753117 RHNDNZZUQMAELV-SFHVURJKSA-N 352.478 3.563 0 40 FHAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN(C)C)cc1 225734228 CMJFGQFUARNYRH-HXUWFJFHSA-N 350.503 3.797 0 40 FHAB CCO[C@@](C)(C(=O)Nc1ccc(O[C@H](C)COC)c(Cl)c1)C1CC1 225725848 ZRTZKDQKLWAIEV-KZULUSFZSA-N 355.862 3.897 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 223726040 SWXXBEABOZJQAS-MRXNPFEDSA-N 372.896 3.744 0 40 FHAB O=C(O)[C@H](c1cc2ccccc2o1)N1CCN(c2ccc(F)cc2)CC1 90558341 RUBLTVUFSJSVDV-IBGZPJMESA-N 354.381 3.520 0 40 FHAB Cc1ccn2c(NC(=O)[C@H]3C4CCC(CC4)[C@@H]3C(F)(F)F)nnc2c1 333738174 LZRIGMBMACFBTE-OQSWDALSSA-N 352.360 3.591 0 40 FHAB Cc1nccc(N2CCC[C@H]2c2ccnc3ncc(-c4ccc(F)cc4)n23)n1 257235630 GYSHMBGYURAHGB-KRWDZBQOSA-N 374.423 3.975 0 40 FHAB Cc1cc2cncn2c([C@H]2CCCCN2C(=O)c2nccc3ccccc23)n1 257226945 FMXNCOBGZPIQNU-LJQANCHMSA-N 371.444 3.953 0 40 FHAB CCOc1cc2c(cc1OCC)CN(C(=O)c1conc1C1CC1)CC2 585084796 JQLXKQOLAHCUKL-UHFFFAOYSA-N 356.422 3.548 0 40 FHAB COc1ccc(C(=O)N2C[C@H]3[C@@H](Oc4ccccc4Cl)CC[C@H]3C2)cn1 257237795 HIFKHMYHQJHUNT-UXLLHSPISA-N 372.852 3.673 0 40 FHAB O=C(Cc1ccc(F)cc1)N1CCCC[C@H]1c1nnc(-c2ccncc2)o1 257342147 ZNGPGICCZZSLOU-KRWDZBQOSA-N 366.396 3.567 0 40 FHAB CCn1nc(C)cc1C(=O)Nc1nc2ccc(CN(C)C3CC3)cc2s1 617866677 VYKLCSODLKPNOW-UHFFFAOYSA-N 369.494 3.668 0 40 FHAB CCn1c([C@@H]2CCCN2C(=O)c2ccnc(C3CC3)n2)nc2ccccc21 601652305 GOBSIZUMQYQEKY-SFHVURJKSA-N 361.449 3.701 0 40 FHAB CC1=CC(C)(C)N2C(=O)[C@](O)([C@H]3CC[C@@H](C)CC3=O)c3cc(C)cc1c32 1740816385 BRGARNQFWTWYJT-KGFDFFDMSA-N 353.462 3.730 0 40 FHAB Clc1ccccc1-n1nc(-c2nc(-c3ccccn3)no2)nc1C1CC1 109502738 PGKVRPWJQQIPBG-UHFFFAOYSA-N 364.796 3.910 0 40 FHAB CC(C)n1cc(CN2Cc3cccn3C[C@@H](CCOCC3CC3)C2)cn1 585095317 PMGHUFCRORUSAD-IBGZPJMESA-N 356.514 3.714 0 40 FHAB Cc1ccc(COc2ccc3ccccc3c2/C=C2/NC(=O)NC2=O)cc1 661384 CEQVWTCNBGGZKR-XDHOZWIPSA-N 358.397 3.908 0 40 FHAB CCOC(=O)c1cnc2c(C(F)(F)F)cc(Br)cc2c1O 104744013 OIKAEVZAIVTLMQ-UHFFFAOYSA-N 364.117 3.898 0 40 FHAB Cc1cc(-c2nnc(SCC(=O)N3CCc4ccccc4C3)o2)c(C)o1 11835514 UOZDGPSOAHEOGQ-UHFFFAOYSA-N 369.446 3.623 0 40 FHAB CCN(Cc1ccco1)c1nc(C)nc2c1CCN(Cc1ccccc1)C2 12274924 ALAQALVSVRTBSR-UHFFFAOYSA-N 362.477 3.963 0 40 FHAB CCOc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccnn1C(C)C)CC3 12290558 WBNJBKIKFMWMJY-UHFFFAOYSA-N 352.438 3.543 0 40 FHAB CSc1cc(C(=O)O)ccc1NS(=O)(=O)c1ccc(C)cc1C 13278883 ULMKORFZJILWFG-UHFFFAOYSA-N 351.449 3.524 0 40 FHAB CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1ccccc1 14425310 BMMAMJKPAPDALD-LJQANCHMSA-N 374.506 3.848 0 40 FHAB CCCCCCc1c(C)nc(N2CCN(c3ccccc3F)CC2)[nH]c1=O 14608485 DETSAIICMTWHPH-UHFFFAOYSA-N 372.488 3.667 0 40 FHAB CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3cccc(C)c3)CC[C@@H]21 19235060 COLUYKJCDJVJJZ-ACRUOGEOSA-N 354.519 3.893 0 40 FHAB Oc1cc(-c2ccncc2)nc([C@H]2CCCN2Cc2ccc(F)c(F)c2)n1 19292931 VXRCGJTVCRYQMM-GOSISDBHSA-N 368.387 3.860 0 40 FHAB CC(=O)N(C)C1CCC2(CC1)CN(C(=O)CC(C)C)Cc1ccccc1O2 19446608 OXLMPTDAFJVMRV-UHFFFAOYSA-N 372.509 3.613 0 40 FHAB CCOP(=O)(OCC)/C(=C/N1CCCCC1)NC(=O)c1ccccc1 19938683 GXKUAJBUNCEGNK-BMRADRMJSA-N 366.398 3.967 0 40 FHAB CC(C)C(=O)NC(=S)Nc1cc(-c2ccc(C(=O)O)o2)ccc1Cl 226350976 DNGIQYSJERAGEE-UHFFFAOYSA-N 366.826 3.767 0 40 FHAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(Cc2c(F)cccc2Cl)C1=O 5791487 YRLGWHGQGORJQN-QGZVFWFLSA-N 368.742 3.725 0 40 FHAB CC(C)(C)c1nc2ccccc2n1C1CN(C(=O)c2cncc(F)c2)C1 1889205664 QNGIKIFHFASXEO-UHFFFAOYSA-N 352.413 3.565 0 40 FHAB COCc1ccccc1CNC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 26146959 GLSUTBRMXZFPNV-MRXNPFEDSA-N 364.449 3.579 0 40 FHAB CC(C)(CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1ccsc1 1565519136 DWPXHMAEWGPEOH-UHFFFAOYSA-N 354.834 3.573 0 40 FHAB O=C(Cc1ccccc1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 5181262 FIPWKZUBZWRHJW-UHFFFAOYSA-N 371.893 3.841 0 40 FHAB O=c1nc(SCc2cccc(F)c2)c2c(n1Cc1ccccn1)CCC2 5264324 KNPJNVNWKDYXNC-UHFFFAOYSA-N 367.449 3.607 0 40 FHAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)c1ccc(F)cc1 22906945 JIBWGGLLGWGOTJ-HXUWFJFHSA-N 364.420 3.948 0 40 FHAB O=C(NCC[C@@H](CCO)c1ccsc1)c1ccc(OC(F)(F)F)cc1 575622250 YKODMQAZVYXTIJ-LBPRGKRZSA-N 373.396 3.933 0 40 FHAB CCOc1ccc(NC(=O)[C@H]2CCCC(=O)N2Cc2ccc(F)cc2)cc1 2298103460 WDMYOQIAEDIEFL-LJQANCHMSA-N 370.424 3.744 0 40 FHAB O=S(=O)(NCCOC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 5769008 IKYFJDBBFMVBSL-UHFFFAOYSA-N 369.914 3.604 0 40 FHAB O=C(CCC(=O)c1cccs1)NCCNc1nc2ccccc2s1 40087220 MNDGAOAZHNHFER-UHFFFAOYSA-N 359.476 3.549 0 40 FHAB COc1ccc(CC(=O)Nc2ccc(-n3nc(C)cc3C)c(F)c2)cc1 40150707 GNRGAHGONHHBOV-UHFFFAOYSA-N 353.397 3.818 0 40 FHAB O=C(NC[C@H]1COc2ccccc2O1)Nc1cccc(OC2CCCC2)c1 31041015 MBPYORCQRQRVBE-SFHVURJKSA-N 368.433 3.970 0 40 FHAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccnc2Cl)CC1 2571181 QZKBZYIYIYYNGT-UHFFFAOYSA-N 350.249 3.659 0 40 FHAB CC(C)(C)c1cc(CCC(=O)Nc2ccc(Cl)cc2)nc(NC#N)n1 644805 FITGPYZTDNWNIH-UHFFFAOYSA-N 357.845 3.892 0 40 FHAB O=C(Nc1ccc2[nH]cc([C@H](C(=O)O)N3CCCC3)c2c1)c1ccccc1 32106709 GAXKJNWUHJRPRD-LJQANCHMSA-N 363.417 3.642 0 40 FHAB Cn1c(S[C@H]2CCc3ccccc3N=C2O)nnc1-c1ccncc1 20745278 XGPTZWSTWNUKMD-HNNXBMFYSA-N 351.435 3.572 0 40 FHAB O=C1N[C@H](c2cccc(Cl)c2)N2C(=O)N[C@H](c3cccc(Cl)c3)N12 1716056 JXKOXGKHXQVSCQ-KBPBESRZSA-N 363.204 3.656 0 40 FHAB C[C@@H](OC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)c1ccccc1 2664241 PXUMJJLVJSKRGI-CQSZACIVSA-N 363.369 3.960 0 40 FHAB CC(C)(C)NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1 3412856 JXFYKKIWMNKBMS-UHFFFAOYSA-N 370.478 3.593 0 40 FHAB CC(C)Oc1ccc(CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1 6751645 ZSJMNPSSKTVPMH-UHFFFAOYSA-N 352.434 3.531 0 40 FHAB COc1ccc(-c2nc(C(=O)NCc3ccccc3)cs2)cc1OC 7401869 YRGBDVQPMFJWJV-UHFFFAOYSA-N 354.431 3.757 0 40 FHAB CCc1[nH]c(C(=O)NCC2(c3ccccc3)CCC2)c(C)c1C(=O)OC 32882347 LOGGYCIAUICEOR-UHFFFAOYSA-N 354.450 3.524 0 40 FHAB Cc1ccc(Cn2ccs/c2=N\C(=O)[C@H](C)Oc2ccc(F)cc2)cc1 7785583 WRZSBWIHPVGGPJ-FOVZNYCQSA-N 370.449 3.940 0 40 FHAB CCOc1ccccc1CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 10110854 UHAZCUHAULGAIV-SDNWHVSQSA-N 354.406 3.756 0 40 FHAB Cc1cccc(C)c1NC(=O)C12C[C@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 102846261 SKZVRNMQGJPZDO-FBIZOPLVSA-N 350.466 3.829 0 40 FHAB CCn1c(CCc2ccccc2)nnc1SCC(=O)N1CCCC[C@H]1C 8090044 WHKOYNLCVPDWII-MRXNPFEDSA-N 372.538 3.576 0 40 FHAB Cc1ccc(CSCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1 8374573 FLWBMVJEJXSZGT-UHFFFAOYSA-N 356.491 3.634 0 40 FHAB Cc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1ccccc1Cl 8415841 OENRBNNULQCXAE-UHFFFAOYSA-N 374.824 3.549 0 40 FHAB O=C(CCc1cccc(Cl)c1Cl)NCCc1cn2ccccc2n1 32924274 WDYVZKNBVHUQJF-UHFFFAOYSA-N 362.260 3.933 0 40 FHAB CC(=O)c1cccc(NC(=O)c2cc(O)c(OCc3ccccc3)cn2)c1 12168410 PCKYEEQBSKRLQM-UHFFFAOYSA-N 362.385 3.821 0 40 FHAB Cc1ccc2c(c1)C=C(C(=O)Nc1ccc(N3CCOCC3)cc1)C=CO2 33321270 QFLAJTZYUJTYHV-UHFFFAOYSA-N 362.429 3.760 0 40 FHAB C[C@H](NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1)c1ccccc1 22457816 VRSUOXCZMVLYDN-INIZCTEOSA-N 356.429 3.971 0 40 FHAB Cc1nc(Cc2ccccc2)nc2sc3c(=O)n(C(C)C)cnc3c12 12321663 JKTOYSLFHRXTDM-UHFFFAOYSA-N 350.447 3.881 0 40 FHAB Fc1ccc([C@@H]2C[C@H](c3cccc(Br)c3)Nc3nnnn32)cc1 2914564 HFGAQXIVYAIPPL-CABCVRRESA-N 374.217 3.721 0 40 FHAB Cc1ccccc1CC(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 24561800 BKPJOJTYDOKYEH-OAQYLSRUSA-N 359.473 3.976 0 40 FHAB COC(=O)CCC(=O)Nc1cccc(-c2nc(-c3ccccc3C)no2)c1 20900005 XMYTXAYCRBODKD-UHFFFAOYSA-N 365.389 3.604 0 40 FHAB Cc1cc(Sc2nc3cc(Cl)cc(Cl)c3[nH]2)n2ncnc2n1 24990992 BSIHOGQWLFFKFS-UHFFFAOYSA-N 351.222 3.767 0 40 FHAB O=C(Nc1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c1)c1cccs1 25209940 KFAOUBUKXMLSPY-HUUCEWRRSA-N 370.430 3.606 0 40 FHAB CCOc1ccccc1-c1noc(CNc2ccccc2-n2cccn2)n1 55850936 HHEHTNMUXDKWDC-UHFFFAOYSA-N 361.405 3.933 0 40 FHAB CNCCCNCc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 57263123 PQEVTWUVSSRING-UHFFFAOYSA-N 366.864 3.766 0 40 FHAB CN(Cc1ccc(F)cc1)C(=O)c1ccc(Cn2nnc3ccccc32)cc1 18009819 DRHTVJINXROYSG-UHFFFAOYSA-N 374.419 3.891 0 40 FHAB COc1ccc([C@@H](C)NC(=O)COc2cc(C)cc(C)c2C)cc1OC 20456124 CCOPDQOVAKDZGU-MRXNPFEDSA-N 357.450 3.885 0 40 FHAB CN(C(=O)c1ccc(CNC(N)=O)cc1)C1CCC(c2ccccc2)CC1 58356312 TXFDWJFRQAETRO-UHFFFAOYSA-N 365.477 3.653 0 40 FHAB CCOC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)CCC3)cc1 16796199 QILZHVCZYWFAAM-CQSZACIVSA-N 353.418 3.758 0 40 FHAB Cc1cc(N[C@@H](C)C(=O)Nc2c(F)cccc2F)ccc1N1CCCC1=O 10750365 RPBZUOQOQIPBSK-ZDUSSCGKSA-N 373.403 3.839 0 40 FHAB Nc1cc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)ccc1Cl 10875937 MWJWTWGRQLGCTO-UHFFFAOYSA-N 364.188 3.983 0 40 FHAB COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3nc(N)nc3N2)cc1 13131877 ASCOXOGVTZWDAW-HZPDHXFCSA-N 355.829 3.669 0 40 FHAB CC[C@@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccc(OC)cc1 3895918 CJDGUAJAZWPYEA-DXCLHELWSA-N 360.498 3.991 0 40 FHAB COc1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1C(=O)O 13393081 RHZDRYMHZYTBKG-UHFFFAOYSA-N 369.348 3.723 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cc(F)ccc2Br)c1 8325369 CZWHLKNQRIQDDB-UHFFFAOYSA-N 354.175 3.858 0 40 FHAB COc1ccc(C)cc1NC(=S)NCc1ccc(-n2cccn2)cc1 13752763 ASVBKYNHPVZTCR-UHFFFAOYSA-N 352.463 3.676 0 40 FHAB Fc1ccc(-n2c(S)nnc2-c2cncc(Br)c2)cc1 13727873 DPWWAHSFJUUVOI-UHFFFAOYSA-N 351.204 3.520 0 40 FHAB O=C(c1c[nH]c2ncccc12)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 65141255 PXMJBHCCLDRCBB-INIZCTEOSA-N 353.397 3.523 0 40 FHAB CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccoc3C)o2)c1 6200770 KVCOVQBPTJUDLX-UHFFFAOYSA-N 357.391 3.571 0 40 FHAB COC(=O)c1sccc1NC(=O)Cc1csc(-c2ccccc2)n1 14076140 IMEUSSWMJFROPK-UHFFFAOYSA-N 358.444 3.839 0 40 FHAB COC(=O)c1ccc(OCC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1 6405066 YMJUQVJGPWEURH-UHFFFAOYSA-N 367.401 3.795 0 40 FHAB CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1 408985387 LTAGKTHOLRLBKX-IBGZPJMESA-N 365.433 3.742 0 40 FHAB CC(C)c1ccc(-n2nnnc2SCc2nccn2C(F)F)cc1 8705538 ZJIVZEUWIRZBQH-UHFFFAOYSA-N 350.398 3.670 0 40 FHAB Cc1cc(C)c(CNC(=O)c2cc(C)n(C3CCCCC3)c2C)c(=O)[nH]1 14226633 OUFNQFHOEHMLCV-UHFFFAOYSA-N 355.482 3.845 0 40 FHAB COc1ccc(C(=O)N[C@H](C(=O)Nc2cc(C)ccc2C)C(C)C)cc1 6779206 VHPVCQNEQDCAQD-IBGZPJMESA-N 354.450 3.705 0 40 FHAB COc1cccc(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)c1 5746001 LDXLWMDIDFZPBK-HNNXBMFYSA-N 362.838 3.790 0 40 FHAB C[C@@H]1CCN(C(=O)COC(=O)c2ccc(F)cc2)c2ccccc2S1 5753978 AAOLKZGTYSBWGR-CYBMUJFWSA-N 359.422 3.900 0 40 FHAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(F)cc2)n1C 7236556 ANUHWVNQKGNTGX-NSHDSACASA-N 360.414 3.642 0 40 FHAB O=C(Nc1nn(Cc2ccccc2F)cc1Br)C1CCC1 28573816 MMISYHFPYAHCNL-UHFFFAOYSA-N 352.207 3.572 0 40 FHAB Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2C2CC2)c(C)n1C 7860447 KLIPCDJNJKPHGX-UHFFFAOYSA-N 367.474 3.662 0 40 FHAB Cc1ccccc1-c1noc(CSc2nnc(-c3cccnc3)n2C)n1 9479924 FKFXIBNQIFRCGB-UHFFFAOYSA-N 364.434 3.528 0 40 FHAB C[C@H](NC(=O)CC1CN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 72306893 ZLJUCGLTIQKPIE-LBPRGKRZSA-N 352.862 3.774 0 40 FHAB Cc1cccc(NC(=O)CNC(=O)Cc2coc3cc(C)c(C)cc23)c1 72427615 CWIZDZVXVSJVHU-UHFFFAOYSA-N 350.418 3.655 0 40 FHAB CC(C)c1cccc(O[C@H](C)C(=O)NC[C@H](CO)Cc2ccccc2)c1 78821261 HHJHLMNXXQDLBY-IEBWSBKVSA-N 355.478 3.545 0 40 FHAB O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)C1(Cc2ccccc2)CC1 75108384 UBICHOVJHPNVLZ-KRWDZBQOSA-N 363.379 3.878 0 40 FHAB Cc1c(-c2nnc3sc(-c4cc(Cl)ccc4Cl)nn23)cnn1C 79485233 SAOWYWHFSDSLNJ-UHFFFAOYSA-N 365.249 3.869 0 40 FHAB Clc1ccccc1-n1nnnc1SCc1nc(-c2ccccc2)no1 20731734 ZBAGOOIRWNTQBG-UHFFFAOYSA-N 370.825 3.658 0 40 FHAB Cc1ccc(N2C[C@@H](C(=O)NCc3cccc(Cl)c3)CC2=O)cc1C 408708912 VGQXXSDOVGZQBN-INIZCTEOSA-N 356.853 3.626 0 40 FHAB COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1F 38594603 NUQNRMBAESYXNR-UHFFFAOYSA-N 350.198 3.942 0 40 FHAB Cc1ccc(Oc2cccc([C@@H]3CCCN3C(=O)c3cnccn3)n2)cc1 72383797 AZBHTYRBOAYJKS-IBGZPJMESA-N 360.417 3.950 0 40 FHAB O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1nc(-c2ccco2)n[nH]1 524735424 BHYMKFPQCKXGBN-ZDUSSCGKSA-N 353.407 3.546 0 40 FHAB O=C(C[C@H](c1ccsc1)n1cccc1)NCCn1cnc2ccccc21 524735115 WLSKWDFTTTVRHM-LJQANCHMSA-N 364.474 3.695 0 40 FHAB Nc1nnc(-c2ccc3oc(-c4cccc(Br)c4)nc3c2)o1 216838886 HYYWTBYSUDBSGU-UHFFFAOYSA-N 357.167 3.890 0 40 FHAB CCCc1ncc(CN2C[C@H]3CCC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)cn1 72340450 AOMHEQYOLXBIKC-ZNLUXHQJSA-N 369.484 3.688 0 40 FHAB COc1cc(C(=O)Nc2cc(Cl)c(N)cc2Cl)cc(OC)c1OC 72229482 FODPOYLXDZTVAS-UHFFFAOYSA-N 371.220 3.854 0 40 FHAB CC[C@H](C)[C@H](CO)NC(=O)c1sc(-c2ccccc2Cl)nc1C 36579885 JWBZAQHBGAYKIK-HZMBPMFUSA-N 352.887 3.909 0 40 FHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1cccnc1 222777577 SRAYDZHPWKHRMT-OALUTQOASA-N 363.490 3.568 0 40 FHAB Cc1ccc(C(=O)N2CCc3ccccc32)c(I)c1 225023915 KKIQFFBSDQALBW-UHFFFAOYSA-N 363.198 3.803 0 40 FHAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)O)[C@H]1c1ccc(OC)cc1 49466923 RBQMLCCFWANQQO-RBUKOAKNSA-N 353.418 3.861 0 40 FHAB CCOCCOc1ncc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)cc1C 225900944 YSKOWAWBHNJJBJ-QRWLVFNGSA-N 364.486 3.729 0 40 FHAB O=C(Cn1ccc(=O)c2ccc(Cl)cc21)NCc1ccc(Cl)cc1 225732659 IMHBANXCKWZZNS-UHFFFAOYSA-N 361.228 3.625 0 40 FHAB CSCC[C@@](C)(O)CNC(=O)C1c2ccccc2Oc2ccccc21 75157523 RRAPJPBGNBDNCW-HXUWFJFHSA-N 357.475 3.545 0 40 FHAB COc1ccc(NC(=O)[C@H]2CCCN2Cc2cccc3cccnc23)cc1 48367710 KFDYCKSCDKCAAP-HXUWFJFHSA-N 361.445 3.847 0 40 FHAB CCOC(=O)c1cc(NC(=O)C2(OC)CCCC2)ccc1O[C@@H](C)CC 225804044 CTRZNXBPINRWTL-AWEZNQCLSA-N 363.454 3.938 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 223577123 IPAKUABWSMGRNL-MRXNPFEDSA-N 372.896 3.744 0 40 FHAB CS(=O)(=O)N1N=C(c2ccco2)C[C@@H]1c1cc(Cl)ccc1Cl 95116833 WXQRBFHHJAKOLL-CYBMUJFWSA-N 359.234 3.697 0 40 FHAB O=C(NC[C@H]1Cn2cc(-c3ccccc3)nc2CO1)c1ccc(Cl)cc1 96112859 MXAXGALOPRDGHZ-KRWDZBQOSA-N 367.836 3.532 0 40 FHAB biogenic,in-vitro O=C(c1cscn1)N1CC2(CCN(Cc3ccccc3Cl)CC2)C1 96070996 ZIWCALCULKVOHS-UHFFFAOYSA-N 361.898 3.535 0 40 FHAB c1ccc(CN[C@H]2CC3(CCN(CC4CC4)CC3)Oc3ccccc32)nc1 96242810 XUQHUQVLGGJXNS-NRFANRHFSA-N 363.505 3.940 0 40 FHAB Cc1cccc(N[C@@H]2CO[C@]3(CCCN(C(=O)c4ccsc4)C3)C2)c1 96222767 ZICQXSSDAPEFJP-AZUAARDMSA-N 356.491 3.932 0 40 FHAB Cn1c(=O)cc(C(=O)N[C@H]2CCCc3c2[nH]c2ccccc32)c2ccccc21 96231562 NTDFODQYKQSXEV-IBGZPJMESA-N 371.440 3.827 0 40 FHAB CC(C)c1nc2c(n1C)CCN(C(=O)Nc1ccc(C3CCC3)cn1)C2 333595778 CDCRXYQOHSNTNR-UHFFFAOYSA-N 353.470 3.796 0 40 FHAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1c(F)cccc1Cl 95476614 BUPISVIWCCANNA-CYBMUJFWSA-N 355.822 3.974 0 40 FHAB Cc1cc(/C=C/C(=O)O)cc(C)c1OS(=O)(=O)c1ccc(Cl)cc1 256054310 VVOVSHWETZJPQD-FPYGCLRLSA-N 366.822 3.822 0 40 FHAB CCc1ccc(-n2nc(C(=O)O)c(N(CC)Cc3ccccc3)n2)cc1 256049190 YSCIDABHSIJBAG-UHFFFAOYSA-N 350.422 3.554 0 40 FHAB C[C@H](N)[C@@H]1CN(c2ncnc3cc(-c4ccc(Cl)cc4)sc23)CCO1 643017975 UOZWFSSZDCBKOF-NHYWBVRUSA-N 374.897 3.564 0 40 FHAB O=C(C[C@H](C(=O)O)c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2 1776002952 OEDAWWCTQIKYRT-ZDUSSCGKSA-N 366.291 3.875 0 40 FHAB O=C(NCc1cn(-c2cccs2)nn1)c1cc2cc(F)ccc2s1 575615320 DATJVAGMMCGGCZ-UHFFFAOYSA-N 358.423 3.613 0 40 FHAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(Cc2cccc(Cl)c2)C3)n1 585105438 WNAFWNLFOKQKMO-FQEVSTJZSA-N 372.896 3.994 0 40 FHAB Cc1ccc(CN2CCC3(CC2)OCC[C@H]3CCOCc2cccnc2)o1 585105283 SEOPSSLYXLGYBW-HXUWFJFHSA-N 370.493 3.961 0 40 FHAB C[C@H](Cn1ccnc1)NC(=O)Nc1cccc(OCCc2ccccc2)c1 69510856 KOSPOFQVNNVHNI-QGZVFWFLSA-N 364.449 3.715 0 40 FHAB COc1ccccc1/C=C/CN1C[C@@H]2CCC[C@H](C1)C2(O)c1cccnc1 12134978 GPOIPVRAQNIIHX-NEJRFYIBSA-N 364.489 3.723 0 40 FHAB Cc1ccc(NC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)nc1 12522637 POBKRPLGWCHCRL-UHFFFAOYSA-N 361.401 3.551 0 40 FHAB COc1ccc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1OC 15589047 HEHLUXKURKCFST-UHFFFAOYSA-N 351.786 3.627 0 40 FHAB Cc1cccc2c(=O)n(CCC(=O)N[C@H](c3ccccc3)C(C)C)cnc12 16470706 LUIVZZPKBZAWCA-FQEVSTJZSA-N 363.461 3.609 0 40 FHAB Cc1[nH]c(NC(=N)Nc2ccc(Cl)cc2)nc(=O)c1Cc1ccccc1 17075526 FZIIJOHXHWICQW-UHFFFAOYSA-N 367.840 3.781 0 40 FHAB O=C(c1cccs1)[C@H]1CCCN(C(=O)c2cc(-c3cccs3)n[nH]2)C1 19344119 PIKFLDQHHIKIQX-LBPRGKRZSA-N 371.487 3.935 0 40 FHAB Cc1ncc(CN2CC[C@@H]3[C@H]2CCCC(=O)N3Cc2ccc(F)cc2)s1 19713291 UUTKZNHVSIUQLC-RTBURBONSA-N 373.497 3.746 0 40 FHAB Cc1ccsc1[C@@H](O)CNC(=O)CCc1ccc(C(F)(F)F)cc1 206699314 HGDCXCOHULIZKB-AWEZNQCLSA-N 357.397 3.858 0 40 FHAB CCOC(=O)c1cc(Br)c(OCc2cccnc2)c(OC)c1 226321376 JSPXCZVFDJTNLQ-UHFFFAOYSA-N 366.211 3.608 0 40 FHAB O=C(O)c1cccc(-c2nc(CN3CC[C@H](c4cccnc4)C3)cs2)c1 567619722 AJACIZUKJRJMBO-KRWDZBQOSA-N 365.458 3.893 0 40 FHAB CN(CC(=O)NCCc1c[nH]c2ccccc12)[C@@H]1CCCc2ccccc21 16695829 FBAAQKPFDHBSSS-JOCHJYFZSA-N 361.489 3.836 0 40 FHAB Cc1ccc2sc(N3CCN(C(=O)c4cccs4)CC3)nc2c1C 4585339 QXXWHWORMLYYNX-UHFFFAOYSA-N 357.504 3.937 0 40 FHAB COc1cccc(C2=Nn3c(nnc3-c3ccc(Cl)cc3)SC2)c1 7572913 HYFNTNRSGKERQJ-UHFFFAOYSA-N 356.838 3.965 0 40 FHAB Cc1ccc(-c2ccc(=O)n(CCCC(=O)N3CCc4ccccc43)n2)cc1 12441088 YSXHCUCWBPVNMA-UHFFFAOYSA-N 373.456 3.588 0 40 FHAB Cc1cccc(-n2c(-c3ccccc3)nn(CN3CCOCC3)c2=S)c1 22079158 QEKFAAMGJQNZSF-UHFFFAOYSA-N 366.490 3.668 0 40 FHAB Cc1nc2sc([C@H](c3cccc(F)c3)N3CCC(C)CC3)c(O)n2n1 23157339 NEQUDXFFXWLPCM-HNNXBMFYSA-N 360.458 3.765 0 40 FHAB CN(C)c1cccc(C(=O)NCc2ccc([C@@H](O)c3ccccc3)s2)c1 207969509 STDZBMABNUFFPN-FQEVSTJZSA-N 366.486 3.826 0 40 FHAB Cc1nnc(N2CCC(COc3cccc(C(F)(F)F)n3)CC2)s1 585532390 QVFBOGKOWCGFHR-UHFFFAOYSA-N 358.389 3.556 0 40 FHAB CCc1onc(C)c1C(=O)N1CCC(c2nc3ccccc3cc2N)CC1 12087863 SUTVULMLZKMACD-UHFFFAOYSA-N 364.449 3.696 0 40 FHAB Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc3c(c2)COC3)c(C)c1 50024042 MFRCEZIUEULFKL-HNNXBMFYSA-N 353.418 3.826 0 40 FHAB O=C(Nc1ccccc1SC(F)F)[C@H]1CC(=O)N(Cc2ccco2)C1 40160107 QRIFTJDDQZBMCU-NSHDSACASA-N 366.389 3.582 0 40 FHAB Cc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)on1 40108136 QYFZJCSCPGVFSC-KRWDZBQOSA-N 367.474 3.574 0 40 FHAB Fc1ccc2[nH]cc(-c3nnnn3-c3ccc(Br)cc3)c2c1 721414 LGKRCHKCIMQNOM-UHFFFAOYSA-N 358.174 3.712 0 40 FHAB COc1ccc(C)cc1[C@@H](C)NC(=O)Cc1ccc(N2CCCC2=O)cc1 8130489 FCACLKFUIHUCEZ-MRXNPFEDSA-N 366.461 3.550 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)o2)cc1OC 917135 QGLHGXXOWMCJCA-UHFFFAOYSA-N 374.393 3.868 0 40 FHAB O=C(COC(=O)c1cccs1)c1ccc(OC(=O)c2ccco2)cc1 992960 HTOFAEDGCGYWCM-UHFFFAOYSA-N 356.355 3.600 0 40 FHAB CC(C)C[C@@H](NC(=O)CCCc1ccccc1)c1nnc2ccccn12 20724868 NGQSZAWWTHFSCD-GOSISDBHSA-N 350.466 3.956 0 40 FHAB O=C(NCCc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 3102900 DREKRICCEICIMI-UHFFFAOYSA-N 371.651 3.944 0 40 FHAB O=C(Nc1nccs1)c1cc(Br)c(Br)s1 3337271 BQNSGUFLCXVPEH-UHFFFAOYSA-N 368.075 3.982 0 40 FHAB Cc1ccc(CNC(=O)CCCc2nc(-c3ccc(F)cc3)no2)cc1 32482680 OFBHWPWKHBKLGC-UHFFFAOYSA-N 353.397 3.823 0 40 FHAB CCCCOc1ccc(-c2nnn(CC(=O)c3ccc(C)cc3)n2)cc1 4130087 LFILPPDXJFQODH-UHFFFAOYSA-N 350.422 3.710 0 40 FHAB O=C(NC(=S)N1CCc2ccccc2C1)C12CC3CC(CC(C3)C1)C2 4184670 NQUAIJXPZCGVKC-UHFFFAOYSA-N 354.519 3.662 0 40 FHAB Cc1nc(CC(=O)O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cs1 21231859 UWXFRQLZSPXHEU-SECBINFHSA-N 372.368 3.583 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 32755486 XLKIHXGQUKURLH-AEFFLSMTSA-N 370.518 3.738 0 40 FHAB COc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1F 7448823 DNSQPTDBZIHZKQ-UHFFFAOYSA-N 356.441 3.750 0 40 FHAB CC(C)CCNC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 32945337 ZEBSENHBTBZPET-AWEZNQCLSA-N 356.466 3.612 0 40 FHAB COc1ccc(C)cc1NC(=O)CCn1c(=O)oc2cc(Cl)ccc21 8123039 WBQQBPCFUSUCQV-UHFFFAOYSA-N 360.797 3.594 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 8264860 FOGWERCLTRFSRO-AWEZNQCLSA-N 372.852 3.957 0 40 FHAB COc1cc(CNCCCN(C)C)ccc1OCc1cccc(Cl)c1 8373859 HTALIHBPXWTAMG-UHFFFAOYSA-N 362.901 3.969 0 40 FHAB Cc1cccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2Cl)c1 8413123 SBIMZBOLWVSNJA-UHFFFAOYSA-N 374.824 3.549 0 40 FHAB COCCNCc1cc(Br)ccc1OCc1ccc(F)cc1 8469105 BTWJLUOFEAWRPM-UHFFFAOYSA-N 368.246 3.903 0 40 FHAB COC(=O)c1ccc([C@H]2Nc3nonc3N=C3CC(C)(C)CC(O)=C32)cc1 102747414 COYDDTYGZGPYJR-OAHLLOKOSA-N 368.393 3.728 0 40 FHAB Cc1cccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccco3)C2=O)c1 102861310 UUGGYUOCROHAJQ-SLFFLAALSA-N 374.396 3.639 0 40 FHAB COc1ccc(NC(=S)NNC(=S)Nc2c(C)cccc2C)cc1 9189131 PTYWNXDHOCUQIW-UHFFFAOYSA-N 360.508 3.500 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)c2cn3c(C)cccc3n2)cc1OC 42062922 LGPUFGYLRZQFKG-QGZVFWFLSA-N 365.433 3.637 0 40 FHAB CCn1cc(C(=O)Nc2ccc(Cl)cc2)c(=O)c2cc(OC)ccc21 22235753 DGNFRRVUQYGSMS-UHFFFAOYSA-N 356.809 3.936 0 40 FHAB Cc1ccc(NCC(=O)Nc2cc3c(cc2Cl)OCCO3)c(F)c1 22727149 QIKOXIHHDVGHNO-UHFFFAOYSA-N 350.777 3.609 0 40 FHAB COc1cc(NS(=O)(=O)c2ccc(F)cc2C)c(OC)cc1Cl 22842736 BVDXNLPSWKNRHQ-UHFFFAOYSA-N 359.806 3.606 0 40 FHAB C[C@H]1C(=O)N2CCCc3cc(NC(=O)Cc4ccc(Cl)cc4)cc1c32 101078492 XKHCJSRRVRPQRS-GFCCVEGCSA-N 354.837 3.918 0 40 FHAB COC(=O)c1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)s1 24692143 IZSMDBBPZKCNOV-LBPRGKRZSA-N 370.430 3.696 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)CSCc1ccc(F)cc1 20452162 ZNHNBJKAQCRUMS-UHFFFAOYSA-N 360.454 3.837 0 40 FHAB Cc1cc2nc(Sc3nnc(-c4ccco4)n3C)c3ccccc3n2n1 26699133 QLTQDZVOOJUCIR-UHFFFAOYSA-N 362.418 3.731 0 40 FHAB COc1cc(/C=C/C(=O)O[C@@H](C)C(=O)c2ccccc2)cc(OC)c1OC 1948862 JJQAUGAPGAJCOT-VNDWYCCKSA-N 370.401 3.540 0 40 FHAB Cc1ccc(NC(=O)COC(=O)Cc2c(F)cccc2Cl)cc1F 3308057 WDDNKTXGYWILAJ-UHFFFAOYSA-N 353.752 3.651 0 40 FHAB CN(CCc1ccncc1)C(=O)c1ccc(Br)cc1Cl 58393180 WKZGVEVVXSOUGF-UHFFFAOYSA-N 353.647 3.812 0 40 FHAB O=C(Nc1sc2c(c1C(=O)O)CCC2)c1ccccc1Br 2283178 ATMZYNBMUCZMCX-UHFFFAOYSA-N 366.236 3.950 0 40 FHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CSc2nccn2C)cs1 12733515 OFLASLAWMPGTLK-UHFFFAOYSA-N 370.503 3.533 0 40 FHAB CCN(Cc1nonc1C)C(=O)c1ccc(COc2cc(C)ccc2C)o1 28235271 MBADINWUNLQIBU-UHFFFAOYSA-N 369.421 3.829 0 40 FHAB C[C@H](Sc1nncs1)C(=O)N(C)CC12CC3CC(CC(C3)C1)C2 48293418 CVHVTZNZTZRATK-GVMDUPDNSA-N 351.541 3.694 0 40 FHAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C)cc1 2403614 MXQIHLDGUDWPHI-UHFFFAOYSA-N 356.451 3.929 0 40 FHAB O=C(COc1ccc(Cl)cc1)N(Cc1ccccn1)[C@H]1CCSC1 48310767 KBZBOEKVPJDJKA-INIZCTEOSA-N 362.882 3.648 0 40 FHAB Cc1cccc(OCC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c1C 12884847 KPCZZGXBELSSLS-SFHVURJKSA-N 366.461 3.560 0 40 FHAB CCc1cccc(N2C[C@H](C(=O)N[C@@H](C)c3ccc(F)c(F)c3)CC2=O)c1 12825039 LDSUPPYBPLEIGR-XJKSGUPXSA-N 372.415 3.758 0 40 FHAB CN(C)[C@H](CNC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1ccccc1 3459403 UZOVFPGEJIQBFP-JOCHJYFZSA-N 372.468 3.950 0 40 FHAB Cc1nc(C(C)(C)C)nc2sc(C(=O)N3C[C@H](C)O[C@H](C)C3)c(C)c12 12999931 YLJMCQXWAGHSNS-PHIMTYICSA-N 361.511 3.855 0 40 FHAB CC(=O)N[C@@H](CC(=O)N(C)c1nc2ccccc2s1)c1cccs1 12923939 WLUKWQMVSZUDGS-ZDUSSCGKSA-N 359.476 3.588 0 40 FHAB O=S(=O)(c1ccc(SCc2ccccc2)nc1)N1CCCCCC1 5260359 ISYTYZACDYEPQA-UHFFFAOYSA-N 362.520 3.939 0 40 FHAB C[S@@](=O)c1ccc(C(=O)Nc2ccccc2OCc2cscn2)cc1 65479879 YMJJUMSYOWBWPK-VWLOTQADSA-N 372.471 3.712 0 40 FHAB COc1ccc([C@H]2CCCN2Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 14093699 DOOHWLOWSNVUSE-GOSISDBHSA-N 369.852 3.922 0 40 FHAB C[C@@H]1c2cc3c(cc2CCN1C(=O)c1ccc(F)cc1F)OCCCO3 6661757 YAIGLJXNAPMLQJ-GFCCVEGCSA-N 359.372 3.886 0 40 FHAB COc1ccc(/C=C/c2noc(-c3ccccc3OC(C)=O)n2)cc1OC 6662009 KYHLQJDLVXGOGR-PKNBQFBNSA-N 366.373 3.850 0 40 FHAB O=C1N[C@H](c2cn(-c3ccccc3)nc2-c2cccnc2)Nc2ccccc21 8718169 RLTHIYTXSJRIMH-OAQYLSRUSA-N 367.412 3.788 0 40 FHAB CC1=NN(C(=O)COc2cc(C)ccc2C(C)C)[C@](O)(c2ccccc2)C1 4860557 PRWSDRIEWKEIHJ-JOCHJYFZSA-N 366.461 3.951 0 40 FHAB COc1ccc(Cl)cc1NC(=O)c1cn2c3c(cccc3c1=O)CCC2 22235345 PQJYSNYJNLVKJR-UHFFFAOYSA-N 368.820 3.862 0 40 FHAB O=C(CCc1ccco1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 6882351 QDPSVDISQXTVHQ-UHFFFAOYSA-N 350.422 3.836 0 40 FHAB CCc1ccc(-c2n[nH]c(S[C@@H](C(=O)N(C)C)c3ccccc3)n2)cc1 6846545 KZVAYRYVWWQRLB-QGZVFWFLSA-N 366.490 3.956 0 40 FHAB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(OC(=O)c4ccccc4)c3)C(=O)[C@@H]2C1 18247209 XPEWGBFEFDMETC-MDASCCDHSA-N 363.413 3.831 0 40 FHAB Cc1ccc(C)c(C(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c1 4932629 HSZQBPNEPCZEFI-UHFFFAOYSA-N 360.339 3.859 0 40 FHAB COc1ccc([C@H]2c3c(C)n[nH]c3C(=O)N2c2ccc(C)cc2)c(OC)c1 4928768 CWLRTIQKQDZONV-FQEVSTJZSA-N 363.417 3.794 0 40 FHAB Cc1nn(-c2ccccc2)c2sc(C(=O)N(C)C3CCN(C)CC3)cc12 9050744 YUWRQNRUHIETJL-UHFFFAOYSA-N 368.506 3.562 0 40 FHAB C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(C/C=C/c2ccccc2)C1=O 8936590 USCHJIRKDCEHDD-FKIZTMCRSA-N 372.371 3.768 0 40 FHAB COc1ccc(Br)cc1COc1ccccc1NC(C)=O 7895536 QUXZGBYDFVCLNA-UHFFFAOYSA-N 350.212 3.995 0 40 FHAB Fc1ccc(-c2nc(CNc3cnn(-c4ncccn4)c3)cs2)cc1 92845034 LKFXPCNMTAEGDC-UHFFFAOYSA-N 352.398 3.537 0 40 FHAB CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2C)ccc1C 9227784 KRNFZMJHFJBPOO-UHFFFAOYSA-N 366.870 3.507 0 40 FHAB CCc1ccc(-c2nc(C)c(C(=O)N3C[C@H]4[C@H](O)CC[C@H]4C3)s2)cc1 96010787 FYVVUTFWVGTJFN-GVDBMIGSSA-N 356.491 3.524 0 40 FHAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc(F)c(F)c2F)cc1 9454287 FDUKKHPMLCGLNO-INIZCTEOSA-N 364.367 3.888 0 40 FHAB CCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)noc1-c1cn[nH]n1 96319544 WOSWFSONOYMQPW-UHFFFAOYSA-N 353.165 3.610 0 40 FHAB CCc1ccccc1NC(=O)CSc1nc(Cc2ccccc2)n[nH]1 9614908 BBFNNDTZYMSGLK-UHFFFAOYSA-N 352.463 3.689 0 40 FHAB CCCN(C(=O)Cc1cn2ccsc2n1)[C@@H]1CCc2ccccc2C1 84750318 OUIYUADBGSOCMM-GOSISDBHSA-N 353.491 3.734 0 40 FHAB CC1=C(C(N)=O)[C@@H](c2ccccc2)NC(SCc2cccc(C)c2)=N1 33782870 ZGFBJXYEOVVMCI-GOSISDBHSA-N 351.475 3.688 0 40 FHAB O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2CN(Cc3ccco3)C[C@H]21 306143150 XUOQUMGRIBXSRD-VQIMIIECSA-N 371.483 3.763 0 40 FHAB Cc1noc(C)c1Cc1nn2c(-c3ccc(Cl)cc3F)nnc2s1 71283670 UGJIXUMOPPOPCZ-UHFFFAOYSA-N 363.805 3.841 0 40 FHAB Cc1nnc(CN=c2[nH]c(-c3cccc(Cl)c3)nc3c2CCCC3)s1 540940126 GYAFKCVBCBIMBB-UHFFFAOYSA-N 371.897 3.870 0 40 FHAB Fc1ccc(-c2cn[nH]c2[C@H]2CCCN(c3ncnc4[nH]ccc34)C2)cc1 67674539 BBHRNSXCGIVDDK-AWEZNQCLSA-N 362.412 3.871 0 40 FHAB CCCOc1cc(C)c(Cl)cc1S(=O)(=O)n1ccnc1C(C)C 41095504 FBZYBCCQZQIXCZ-UHFFFAOYSA-N 356.875 3.994 0 40 FHAB CCc1nc2ccc(C(=O)N3CCn4c3nc3ccccc34)cc2nc1CC 40068210 NGGUVTHVSCHTNN-UHFFFAOYSA-N 371.444 3.765 0 40 FHAB CCN(CC)C(=O)CCc1ncc(-c2cccc(Br)c2)o1 224888142 DIONKGZVTMJUQM-UHFFFAOYSA-N 351.244 3.905 0 40 FHAB Cc1csc([C@H]2CCCCN2C(=O)c2ccc3c(c2)OCC(O)=N3)n1 329115992 TTYYGUTYACUXLV-CQSZACIVSA-N 357.435 3.799 0 40 FHAB COCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1Cl 225639191 WNSKZVNYQVWWOU-SCLBCKFNSA-N 355.862 3.899 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 223429881 XVTRGNWLBUZBFC-OAHLLOKOSA-N 360.479 3.610 0 40 FHAB COc1cccc2sc(N3CC(OC(=O)c4cc(C)oc4C)C3)nc12 75166570 KBCSAPSMMUHVBZ-UHFFFAOYSA-N 358.419 3.560 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 224653800 WHHXNIBOANGVSB-IBGZPJMESA-N 366.505 3.871 0 40 FHAB O=C(N[C@H](c1cccnc1)C1CCOCC1)c1ccc(-n2cccc2)cc1 225620745 JJKZVUKINAQHTL-NRFANRHFSA-N 361.445 3.770 0 40 FHAB Nc1ccc(N2CCCC2)c(NC(=O)c2ccccc2Br)c1 226255725 KQZZSHHYUVNGAO-UHFFFAOYSA-N 360.255 3.884 0 40 FHAB Cc1noc(CCCC(=O)N2CCc3cc(Cl)cc(Cl)c3C2)n1 84263276 IZXKHPFHFYZHSA-UHFFFAOYSA-N 354.237 3.592 0 40 FHAB CC[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(OC)c(C)c1 223928146 XKIABCRSIBEORL-INIZCTEOSA-N 373.449 3.911 0 40 FHAB CCNC(=O)Nc1ccc(-c2cc(C(F)(F)F)cnc2N(C)C)cc1 91695539 VPRQBSZGBWUJDF-UHFFFAOYSA-N 352.360 3.975 0 40 FHAB O=C(NCc1cccnc1)c1cc(-c2ccn(CC3CC3)n2)n2ccccc12 96154718 UHTFBEWCQRLUET-UHFFFAOYSA-N 371.444 3.538 0 40 FHAB COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2cnco2)o1 257261576 LHXXHCQQRJRKTQ-MRXNPFEDSA-N 367.405 3.629 0 40 FHAB CN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1ccc(Cc2ccccc2)nc1 257241934 IAGUMXCSJJDYSM-GMAHTHKFSA-N 363.505 3.761 0 40 FHAB COc1ccc2c(c1F)CC[C@@H]2NC1CCN(c2cccc(C)n2)CC1 585083695 OAOLHLNSSQCAED-SFHVURJKSA-N 355.457 3.784 0 40 FHAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CC[C@@H](c2ncon2)C1 253472187 JZZURAYEYKOMQQ-OAHLLOKOSA-N 360.373 3.508 0 40 FHAB C[C@H]1CN(C(=O)c2nc3ccc(Br)cn3c2F)c2ccccc21 1639546121 ZGJTXLDZPIEXDD-JTQLQIEISA-N 374.213 4.000 0 40 FHAB CN1CCC[C@H](NC(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@H]32)c2ccccc21 665055403 NIOQNCRNMRWOII-FMWKFLBASA-N 365.452 3.734 0 40 FHAB COc1ccc(CNC(=O)Nc2ccc(N3CCC[C@@H](OC)C3)cc2)cc1 96122507 YBNODNATMXOQCA-HXUWFJFHSA-N 369.465 3.632 0 40 FHAB CC[C@H](C)n1ncc(C(=O)NCc2ccc3cnn(C)c3c2)c1C1CC1 585085278 CABWJIDKBUKNBB-ZDUSSCGKSA-N 351.454 3.548 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)CSc1ccc2c(c1)OCCO2 5019011 ZMKVVGYYXSLGCI-HNNXBMFYSA-N 357.475 3.687 0 40 FHAB Cc1ccc(C[C@H]2SC(CC(=O)NCc3ccccc3)=NC2=O)cc1C 12274176 KPTKQVUMOUZMSK-GOSISDBHSA-N 366.486 3.593 0 40 FHAB FC(F)(F)c1cccc(OC[C@H]2[C@H]3CC[C@H](C3)N2Cc2ncc[nH]2)c1 19330979 CIKIFAOMCMDUHU-BJJXKVORSA-N 351.372 3.860 0 40 FHAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)CC)C1 19498483 TWIYIBQRKVAPII-NRFANRHFSA-N 370.518 3.722 0 40 FHAB C[C@@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)Cc1ccccc1 19574256 VAOWUJCJUYJEEW-ZDUSSCGKSA-N 361.367 3.803 0 40 FHAB COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc2c1OCO2 6324862 RVNUJWHEHVYSRA-MHIFHRFWSA-N 362.451 3.513 0 40 FHAB O=c1nc(SCc2ccc(F)cc2)c2c(n1C[C@@H]1CCCO1)CCCC2 10255434 DSRDSMOQWKFGBE-INIZCTEOSA-N 374.481 3.733 0 40 FHAB O=C(OC[C@@H]1CC(c2ccccc2)=NO1)c1ccc(Br)cc1 5524341 KNYTVNBFYLKVNJ-HNNXBMFYSA-N 360.207 3.799 0 40 FHAB COc1ccc(Br)cc1CSCC(=O)Nc1cc(C)on1 14021581 SWYBXFMBGVQMDC-UHFFFAOYSA-N 371.256 3.626 0 40 FHAB Cc1noc(C)c1CN1CCN(C(=O)C2(c3cccs3)CCCC2)CC1 38679325 PFNWOICDWOZUBL-UHFFFAOYSA-N 373.522 3.509 0 40 FHAB Cc1cc(C)c(C(=O)NCCCN2CCN(c3ccccc3)CC2)c(C)c1 11853353 NGOVMFGNZKEQHG-UHFFFAOYSA-N 365.521 3.554 0 40 FHAB Cc1ccccc1NC(=O)Cn1cnc2c(sc3cccc(F)c32)c1=O 17135991 SWQVSKZUMVOEDS-UHFFFAOYSA-N 367.405 3.697 0 40 FHAB O=C(NCC1(c2cccs2)CCOCC1)c1ccc2ncsc2c1 49521373 MJUMRMCICIYTJX-UHFFFAOYSA-N 358.488 3.836 0 40 FHAB C=Cc1cc(I)c(OCc2ccccn2)c(OC)c1 8702297 XBSPEHFVMDLYOM-UHFFFAOYSA-N 367.186 3.917 0 40 FHAB CC(C)OC(=O)CSc1nnc(-c2cccnc2)n1C1CCCCC1 905179 NVEGBVQAVYCBHQ-UHFFFAOYSA-N 360.483 3.889 0 40 FHAB CCCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccccn1 1362675 NLKBTMKMUXCCNK-UHFFFAOYSA-N 371.441 3.620 0 40 FHAB CCc1ccccc1NC(=O)[C@H]1CCCN1C(=O)NCc1ccccc1 1379398 RVHOYXSMLUGTIL-LJQANCHMSA-N 351.450 3.562 0 40 FHAB CC[C@@H](C)[C@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)O 20745578 BLUBQYACXZQFMW-BMIGLBTASA-N 366.870 3.622 0 40 FHAB O=C(NC(Nc1ccccn1)(C(F)(F)F)C(F)(F)F)c1ccccc1 20792249 HHOMDPPVTMBEOR-UHFFFAOYSA-N 363.261 3.744 0 40 FHAB CCOC(=O)/C(=C/c1cn(C(C)=O)c2ccccc12)P(=O)(OC)OC 1643399 GMSYMTOIHWKHQD-YBEGLDIGSA-N 365.322 3.691 0 40 FHAB CCCn1c(=O)c2ccccc2n2c(SCc3cccc(F)c3)nnc12 3443162 CEDYYBGILRHMNX-UHFFFAOYSA-N 368.437 3.886 0 40 FHAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1Cc1c(F)cccc1Cl 3600569 ZONFUBILOAIPKU-IBGZPJMESA-N 358.800 3.763 0 40 FHAB CCCN1[C@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1Br)C2 4887166 IZPAWRZBAHEEDZ-GOOCMWNKSA-N 365.315 3.974 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)[C@@H]1C[C@@H]1C)c1ccccc1 6639712 MHXLGEQJEDZCLL-GMBSWORKSA-N 353.418 3.883 0 40 FHAB CCOc1ccccc1N1C[C@H](C(=O)Oc2ccc(CC)cc2)CC1=O 7929367 UGPKBNJJFZPQJQ-MRXNPFEDSA-N 353.418 3.606 0 40 FHAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC(C)C)cc1Cl 10119172 PLVBBBKAKNZALJ-UHFFFAOYSA-N 370.836 3.976 0 40 FHAB O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)CCc2ccccc2)CC1 32827275 OPGFTSXCMZFHCJ-UHFFFAOYSA-N 371.868 3.545 0 40 FHAB Cc1nc(COc2ccc(C(=O)N[C@H](C)c3ccc(F)c(F)c3)cc2)no1 32860427 MUDOEZNQQCGFGP-LLVKDONJSA-N 373.359 3.726 0 40 FHAB Cc1ccc(C(=O)CCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 8025459 KMBYSOPNAJZJIQ-UHFFFAOYSA-N 364.489 3.924 0 40 FHAB CCc1ccccc1NC(=O)Cn1nc(COc2ccccc2)oc1=S 8088474 ZJFCOVZZFLQKNE-UHFFFAOYSA-N 369.446 3.986 0 40 FHAB Cc1c(Cl)cccc1NC(=O)COC(=O)CCC(=O)Nc1ccccc1 8416187 ISWZYWUIDKYIHH-UHFFFAOYSA-N 374.824 3.549 0 40 FHAB CC[C@H](C)c1ccc(NC(=O)CCNC(=O)C(C)(C)Br)cc1 8733037 YFWAKTUQLXGDSZ-LBPRGKRZSA-N 369.303 3.818 0 40 FHAB CC(=O)[C@]1(C)[C@@H]2[C@H]3[C@H]4[C@H]5[C@H]6[C@@H](CC[C@@H]6[C@H]41)O[C@H]1O[C@@H]4CC[C@H]([C@H]42)[C@@H]3[C@]15C 104294568 RCDJTDHAGCPXDZ-AJPXZRRQSA-N 354.490 3.516 0 40 FHAB COc1cc(Cl)c(NC(=O)CCc2nc(C(C)(C)C)no2)cc1OC 33166767 PEUCBTRRNGROOU-UHFFFAOYSA-N 367.833 3.609 0 40 FHAB CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccc(N)cc1 624779 ZEISIPMDVSSPJJ-UHFFFAOYSA-N 356.426 3.661 0 40 FHAB COc1cc(Br)c(CCNC(=O)OC(C)(C)C)cc1OC 643107 KHLLZOUXJHFZOZ-UHFFFAOYSA-N 360.248 3.534 0 40 FHAB C[C@@H]1[C@@H](NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)CCC[C@H]1C 103426712 HJHJWLPOYXGBDT-GJYPPUQNSA-N 357.498 3.871 0 40 FHAB CCCCOc1ccc(C(=O)Nc2ccc(N(C)C)nc2)cc1OCC 22395264 ATLYHEIOKLKWKL-UHFFFAOYSA-N 357.454 3.978 0 40 FHAB O=S(=O)(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccccc1 947777 YMVJLKJKADOGJR-UHFFFAOYSA-N 365.867 3.583 0 40 FHAB O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cc(Cl)c2c(c1)OCCO2 23387271 DWXBHNFLQBDTKR-WDEREUQCSA-N 363.763 3.962 0 40 FHAB CC(C)c1ccc(CN2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1 23643084 NHAFTVCHICCNFR-UHFFFAOYSA-N 362.477 3.644 0 40 FHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCCN2CCc3ccccc32)c1 20111395 APISQGPCTGOMFK-LJQANCHMSA-N 366.505 3.948 0 40 FHAB Cc1cccn2c(=O)c(C=O)c(Sc3nc4ccccc4s3)nc12 1470181 LAZCMTLGONTTAQ-UHFFFAOYSA-N 353.428 3.576 0 40 FHAB O=S(=O)(/C=C/c1ccccc1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 56138193 KNAWWMNTEWIXRN-VNRUCGOHSA-N 361.438 3.636 0 40 FHAB Cc1cc(C(=O)CN2CCc3ccccc3C2)c(C)n1C[C@@H]1CCCO1 35349152 BLBNCLFZLOGHLO-FQEVSTJZSA-N 352.478 3.525 0 40 FHAB Cc1cccc(Cn2cccc(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c2=O)c1 108068608 LONFNIJLAAEPRS-IGGJEDBVSA-N 364.489 3.760 0 40 FHAB CCCCN(CC)C(=O)Cn1c(-c2cccc(Cl)c2)nc(C)cc1=O 57526740 VBXVMXUJIUOJAE-UHFFFAOYSA-N 361.873 3.521 0 40 FHAB Cc1cc(NC(=O)c2ccn(COc3ccccc3)n2)n(C2CCCC2)n1 28246959 AGJSYNXVUYWNHL-UHFFFAOYSA-N 365.437 3.792 0 40 FHAB COc1cc(CNC(=O)Nc2nc3ccccc3s2)cc(OC)c1OC 10280214 NQSAXXRZVXXIQL-UHFFFAOYSA-N 373.434 3.644 0 40 FHAB CCCCCC(=O)Nc1ccc(C(=O)CSc2nnc(N)s2)cc1 3343988 OJHQCYWRCDTBFE-UHFFFAOYSA-N 364.496 3.614 0 40 FHAB CC(C)(C)c1ncc(NC(=O)c2cc3c(nc4sccn43)s2)cn1 58403033 HZEQCAYAWOSLFZ-UHFFFAOYSA-N 357.464 3.950 0 40 FHAB CCOC(=O)c1c(N/C=C2/C(=O)N(C)c3ccccc32)sc2c1CCC2 2258066 PYNRBTSHIHUMIJ-SDNWHVSQSA-N 368.458 3.843 0 40 FHAB Cc1ccc(OCCC(=O)NCc2ccc(Cn3ccnc3)cc2)c(C)c1 45141014 QTRSTEJXFKDUMC-UHFFFAOYSA-N 363.461 3.634 0 40 FHAB O=C(NCc1csc(-c2ccccc2)n1)c1cc2ccccc2[nH]c1=O 10894246 NPDPSECIUDRRQK-UHFFFAOYSA-N 361.426 3.582 0 40 FHAB CCCc1ccc(-c2csc(NC(=O)CN3CCSC3=O)n2)cc1 12799393 GERDQKJFPBPFRD-UHFFFAOYSA-N 361.492 3.870 0 40 FHAB CCn1cc(-c2cc(C(F)(F)F)nc(N3CCC(C)CC3)n2)c(C)n1 36618552 VIKLKMISQPYJDI-UHFFFAOYSA-N 353.392 3.924 0 40 FHAB COc1ccc(C2=C[C@H](c3ccc(OC)c(OC)c3)N=C(S)N2)cc1 2483423 UPNVCLGZCSJWTF-MRXNPFEDSA-N 356.447 3.684 0 40 FHAB C[C@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1C(F)(F)F 28871446 LPDCRRONXFEBTQ-NSHDSACASA-N 366.339 3.916 0 40 FHAB NC(=O)c1cc(SCc2nc(-c3ccsc3)no2)nc2ccccc12 12812562 ZDPQENONNJDJKJ-UHFFFAOYSA-N 368.443 3.738 0 40 FHAB C[C@H]1CN(Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)C[C@@H](C)O1 12819516 MUSLEOHAUVDLFB-TXEJJXNPSA-N 365.886 3.658 0 40 FHAB Cc1ccc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1F 12809717 COIOPOXHNDFLFP-UHFFFAOYSA-N 355.413 3.560 0 40 FHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(S(C)(=O)=O)c1 12847562 UQUCOQCQLQRWGD-GFCCVEGCSA-N 374.487 3.533 0 40 FHAB Cc1nc(-c2ccsc2)sc1C(=O)NC[C@@H]1COc2ccccc2O1 12875214 LARLTJXFLVMSOC-CYBMUJFWSA-N 372.471 3.750 0 40 FHAB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1 3405576 GSKZENQYVUTFIG-UHFFFAOYSA-N 372.852 3.514 0 40 FHAB FC(F)(F)c1nnc2ccc(N[C@@H]3CCSc4ccccc43)nn12 12924361 FNBQHSDITXXNJZ-SNVBAGLBSA-N 351.357 3.792 0 40 FHAB Cc1ccc(/C=C/C(=O)N[C@H](CN2CCOCC2)c2ccccc2)c(C)c1 12922751 ZUVHKUVDJVBYNW-NELJVSICSA-N 364.489 3.506 0 40 FHAB CC(=O)Nc1ccc(NC(=O)[C@@H](NC(=O)C2CCC(C)CC2)C(C)C)cc1 3895689 BELKNGJWBKIDDS-KJXMEXGPSA-N 373.497 3.551 0 40 FHAB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2)N3)C1 4118876 QGDXDCDCMOGGIM-HNNXBMFYSA-N 357.435 3.692 0 40 FHAB O=C(NCCO)c1cc2c([nH]c3ccccc32)c(-c2cccc(Cl)c2)n1 6112692 COCRPBOKTXBEHI-UHFFFAOYSA-N 365.820 3.759 0 40 FHAB biogenic C[C@H](NC(=O)CSc1nc(-c2cccs2)n[nH]1)c1cccs1 8754974 VFDWPXLGTZBMSM-VIFPVBQESA-N 350.494 3.564 0 40 FHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccnc1)N(c1cc(C)on1)C3=O 5243591 VZFUIJMYNBHKII-GOSISDBHSA-N 373.368 3.543 0 40 FHAB CCCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 4537792 HJUWUKDPDRTTLG-UHFFFAOYSA-N 358.463 3.767 0 40 FHAB CC(C)c1ccc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 6552925 IXPPQFZQIUUPIE-CQSZACIVSA-N 361.463 3.621 0 40 FHAB Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2OC3)cc1 5576533 OPCMVESKYARHIJ-QGZVFWFLSA-N 354.772 3.542 0 40 FHAB COc1ccc(NC(=O)NC(=O)c2c(Cl)nc(C)c(Cl)c2C)cc1 6668362 JWSUODUWAXXMGV-UHFFFAOYSA-N 368.220 3.976 0 40 FHAB C[C@H](OC(=O)c1ccccn1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 5692607 BNUDGXUDBDUIBE-VIFPVBQESA-N 372.730 3.938 0 40 FHAB O=C(COC(=O)Cc1ccc(F)cc1)Nc1ccc(Cl)cc1Cl 6887278 OMBLJJSZSHOWGY-UHFFFAOYSA-N 356.180 3.857 0 40 FHAB COc1ccccc1-c1cc(Cn2nnc(-c3ccc(Cl)cc3)n2)on1 15554534 WJNWLNCUKRDTOM-UHFFFAOYSA-N 367.796 3.705 0 40 FHAB Cc1cc(C)n([C@H]2CCN(Cc3cnc4c(-c5ccccc5)cnn4c3)C2)n1 67674232 LMEJLIQOFPWINX-FQEVSTJZSA-N 372.476 3.657 0 40 FHAB CC(C)c1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)cc1 7726633 SJERDEBVEKZUPW-UHFFFAOYSA-N 358.463 3.738 0 40 FHAB COc1ccc(Cc2nnc(SCC(=O)c3ccc(C)cc3)n2C)cc1 9582627 PKOJLJHBNVMFLN-UHFFFAOYSA-N 367.474 3.698 0 40 FHAB CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc(NC(C)=O)c1 9533388 DYYAHCJKOIQNCL-GFCCVEGCSA-N 372.446 3.551 0 40 FHAB O=C(OCc1nnc(C2CC2)o1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 84502299 QCMZTRCWHNZVCW-RYUDHWBXSA-N 352.312 3.813 0 40 FHAB CCOC(OCC)c1nnc(SCc2cc(-c3ccccc3)on2)n1C 95460172 TYKFDYHCVRVFGI-UHFFFAOYSA-N 374.466 3.834 0 40 FHAB CC[C@H]1CN(C(=O)c2oc(C)cc2C)CC[C@@H]1NC(=O)OC(C)(C)C 95441482 LKFOJGZFTVJQIX-GJZGRUSLSA-N 350.459 3.662 0 40 FHAB Cc1cn2cc(C(=O)NCCSc3ccc(Cl)cc3)sc2n1 89702192 ZGXXXWXLVCXXSC-UHFFFAOYSA-N 351.884 3.880 0 40 FHAB O=Cc1ccccc1OC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 408674532 ZZLCRVBCIWQTIB-KRWDZBQOSA-N 359.381 3.611 0 40 FHAB CCCC1=C(C(=O)OCC)[C@@H](c2cccc3ccccc23)NC(=S)N1 408609973 PTRWGQZAKZVBAR-GOSISDBHSA-N 354.475 3.976 0 40 FHAB COc1ccc(-c2cnc3n2C[C@H]2CN(Cc4cccc(C)n4)C[C@H]2C3)cc1 306144883 ZRJCNLGZPILAHR-RTBURBONSA-N 374.488 3.566 0 40 FHAB COc1cc2c(cc1OC)[C@@H](NC(=O)CCc1c[nH]c3ccccc13)CC2 524731731 IVYBWDNBQHRZPU-IBGZPJMESA-N 364.445 3.921 0 40 FHAB biogenic CC[C@H](Oc1ccccc1C)C(=O)N1CCN(c2ccccc2F)CC1 216426072 CEQYHGOCQXDGLE-IBGZPJMESA-N 356.441 3.640 0 40 FHAB O=C(Nc1ccc(Cn2ccnc2)cn1)[C@@H]1CC[C@H]1c1ccc(F)cc1 529376544 BDWQOOLAOOYISM-ZWKOTPCHSA-N 350.397 3.598 0 40 FHAB COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4cnccn4)C3)n2)c1 72349194 RRVDRBKUHACZCN-QGZVFWFLSA-N 374.444 3.567 0 40 FHAB COc1ccc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)c(OC)c1 219849872 ZRFPBUQNPDOHSI-UHFFFAOYSA-N 354.450 3.867 0 40 FHAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 225015369 OJXYZJKQZMUHND-OAQYLSRUSA-N 368.477 3.936 0 40 FHAB Cc1ccc2nc([C@H]3CCCN(C(=O)Cn4cc5ccccc5n4)C3)[nH]c2c1 328861272 AOZWNWOTORZNOJ-KRWDZBQOSA-N 373.460 3.627 0 40 FHAB S=C(Nc1ccc2c(c1)OCCO2)NC1(c2ccccn2)CCCC1 225857814 LBOOHSUISPGQCG-UHFFFAOYSA-N 355.463 3.609 0 40 FHAB COC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc2ccccc2c1 225042495 WVIMBNVWCVONDH-UHFFFAOYSA-N 369.442 3.517 0 40 FHAB Cc1ccccc1-c1noc(CSCC(=O)N[C@@H]2CCCC[C@@H]2C)n1 45025142 AQVPEAOWIIWOSJ-GOEBONIOSA-N 359.495 3.973 0 40 FHAB CCOc1ccc(S(=O)(=O)N(CCc2cccs2)C2CC2)cc1C 75154824 PPZBRDCQPMQPLM-UHFFFAOYSA-N 365.520 3.851 0 40 FHAB O=C(Nc1cccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c1)[C@H]1CCCO1 40051382 ITAMIXQWAPNZQD-AYOQOUSVSA-N 356.466 3.599 0 40 FHAB CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224889732 LYONTRVRKJWALL-UHFFFAOYSA-N 352.843 3.514 0 40 FHAB C[C@@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1cccc2ccccc12 40162026 VZVXRBJVRKUMDX-WBVHZDCISA-N 350.462 3.808 0 40 FHAB CCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1C(=O)OC 225831277 QEWQHWYHKPITFK-JLTOFOAXSA-N 363.454 3.796 0 40 FHAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222710385 AMTPBFOEUDIQSY-RDJZCZTQSA-N 355.434 3.801 0 40 FHAB Cc1cccc(COC[C@@H]2C[C@H]3OCCN(Cc4ccsc4)[C@@H]3C2)n1 96250702 XODIJQKKRQVUFQ-DFQSSKMNSA-N 358.507 3.648 0 40 FHAB C[C@]12C[C@@H](c3ccccc3F)N(Cc3cccnc3)[C@H]1CCCC(=O)N2 257285375 PGUFLWGKPWBKGT-ZJOUEHCJSA-N 353.441 3.595 0 40 FHAB CC(C)CC(=O)N1CCC(CNc2ccccc2O[C@@H]2CCOC2)CC1 585080780 SCZAYUFCCXWJJQ-GOSISDBHSA-N 360.498 3.551 0 40 FHAB Cc1cc(Nc2nc(C)cs2)nc([C@@H]2CCN(C(=O)C3CCCC3)C2)n1 257267377 MHAWLPCSYJSQEE-OAHLLOKOSA-N 371.510 3.800 0 40 FHAB CC1(C)C(=O)Nc2cc(C(=O)NC3(c4cccc(Cl)c4)CC3)ccc21 645554321 RHRCTHWDGMKSOI-UHFFFAOYSA-N 354.837 3.989 0 40 FHAB Cc1nnc2n1C[C@@H](C(=O)NCC1(C3CCCCC3)CCCCC1)CC2 677978571 IGLZGHFUUUHOML-KRWDZBQOSA-N 358.530 3.796 0 40 FHAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@@H]1CCCOc2c(Cl)cccc21 678881537 LRFUKLFCKICXSL-BDJLRTHQSA-N 361.873 3.824 0 40 FHAB O=C(Cc1ccccc1Cl)NCc1cccc(NC(=O)N2CCCC2)c1 54348584 IKSDXDPTQZGAEK-UHFFFAOYSA-N 371.868 3.827 0 40 FHAB Cc1noc(C2CCN(C(=O)Cc3coc4cc5c(cc34)CCC5)CC2)n1 54663802 UTHIUJICBUXUHU-UHFFFAOYSA-N 365.433 3.562 0 40 FHAB CSc1nnc(CCNC(=O)[C@@H](c2ccccc2)C2CCCCC2)n1C 5001783 URACWBBRMLTFQA-SFHVURJKSA-N 372.538 3.560 0 40 FHAB CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc3ccccc3c1)CN2 5463816 JKAYWEXACKGUEA-UHFFFAOYSA-N 361.405 3.932 0 40 FHAB Cc1oc2cc(OCC(=O)N3CCCC3)ccc2c(=O)c1-c1ccccc1 5497888 NDQRTKIFECPYIL-UHFFFAOYSA-N 363.413 3.770 0 40 FHAB Cn1ccnc1[C@H](NC(=O)CCc1ccccc1)c1ccc(F)c(F)c1 12221703 KHKPZEGEWFNNJZ-LJQANCHMSA-N 355.388 3.537 0 40 FHAB Cc1ccc(NC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)c(F)c1 15578880 FCZLXFLLDJTVNE-UHFFFAOYSA-N 358.457 3.795 0 40 FHAB O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(O)nc1 18157467 SSMQUCUZDOHXTH-UHFFFAOYSA-N 370.412 3.570 0 40 FHAB Cc1ccc([C@H](NC(=O)[C@H](C)Cn2cc(Cl)cn2)c2cccnc2)cc1 19136566 IYIFACMFHWVBBV-BEFAXECRSA-N 368.868 3.782 0 40 FHAB O=C(NC1CCN(c2nc(-c3cccnc3)cs2)CC1)[C@H]1CC=CCC1 206985611 ORRGICRONGVRMX-HNNXBMFYSA-N 368.506 3.646 0 40 FHAB CN(Cc1ccccc1NC(=O)c1ccc(C(=O)O)cn1)C1CCCCC1 642209280 NDDFFLRHWBSGQN-UHFFFAOYSA-N 367.449 3.797 0 40 FHAB Cc1ccccc1N(CC(=O)Nc1cccc(C(C)C)c1)S(C)(=O)=O 23227420 RJCKNTNKPLIPGW-UHFFFAOYSA-N 360.479 3.523 0 40 FHAB Cc1ccnc(N2CCC[C@]3(CCCN(C(=O)c4sccc4F)C3)C2)n1 2056223715 BPUXEMGTXCAYOS-IBGZPJMESA-N 374.485 3.508 0 40 FHAB Cc1ccccc1-c1noc(-c2nnn(-c3cccc(Cl)c3)c2N)n1 6868211 NGELWNLNCXPSAD-UHFFFAOYSA-N 352.785 3.528 0 40 FHAB Cc1c(Cl)cccc1-n1nnc(-c2nc(-c3cccs3)no2)c1N 6868299 JXMBHLZWQGPTND-UHFFFAOYSA-N 358.814 3.590 0 40 FHAB O=C(Nc1nc(CC(=O)N2CCc3ccccc32)cs1)c1ccccc1 9627679 DOVKCRSCCUIZQI-UHFFFAOYSA-N 363.442 3.527 0 40 FHAB Cc1cc(C)n([C@H](CNC(=O)NCc2ccc(F)cc2)c2cccs2)n1 575609481 CFGDPLJGZGEXNA-QGZVFWFLSA-N 372.469 3.789 0 40 FHAB COC(=O)c1ccccc1C(=O)N1CCS[C@@H](c2ccccc2F)CC1 219101435 INHCRUNJYSXCLK-GOSISDBHSA-N 373.449 3.933 0 40 FHAB COc1cc(CNC(=O)c2ccc(C)c(C)c2)ccc1OC[C@H]1CCCO1 40106781 PBJWBAUFEOFEIM-LJQANCHMSA-N 369.461 3.800 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN(C)Cc1ccco1 40025012 TVEGQFNBKNJDMH-UHFFFAOYSA-N 352.438 3.543 0 40 FHAB C[C@H](N[C@H](C)C(=O)NC1CCCCC1)c1ccc(NC(=O)C2CC2)cc1 40071802 GXMWIDMFQXOGOL-LSDHHAIUSA-N 357.498 3.523 0 40 FHAB CCN(CC)CCn1c(=N)n(CCOc2ccccc2C)c2ccccc21 20069480 GVVBPJFLTPUFRB-UHFFFAOYSA-N 366.509 3.651 0 40 FHAB COc1ccc(OC)c(CCC(=O)Nc2ccc(Cn3cccn3)cc2)c1 40146219 DMANSFBHYKTCHC-UHFFFAOYSA-N 365.433 3.520 0 40 FHAB Cc1ccnc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)c1 40146781 LHFCWZRLCUKCRO-UHFFFAOYSA-N 361.380 3.758 0 40 FHAB Cc1noc(C2CCN(C(=O)c3c(-n4cccc4)sc(C)c3C)CC2)n1 40156342 NIAVWDFGQTXRGH-UHFFFAOYSA-N 370.478 3.867 0 40 FHAB CC(C)(C)c1ccc(C2(C(=O)Nc3ccc(-n4cncn4)nc3)CC2)cc1 31909375 WZHIMOXDFUGEEK-UHFFFAOYSA-N 361.449 3.630 0 40 FHAB CSc1ncccc1C(=O)NCc1ccc(COCC(F)(F)F)cc1 11484031 ZOPBDFYLFPAYIA-UHFFFAOYSA-N 370.396 3.812 0 40 FHAB Cc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCC(C)CC2)cc1 1330591 VNONSUKWQUTRDV-NRFANRHFSA-N 361.493 3.851 0 40 FHAB CCCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 3032701 LPCOTQOWGOUADB-UHFFFAOYSA-N 366.870 3.671 0 40 FHAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc2ccccc2c(=O)[nH]1 32719137 DLLANXIJGVVSTB-UHFFFAOYSA-N 362.385 3.822 0 40 FHAB O=C(Oc1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)c1cccs1 4553580 FQYXPXNMCLHVLW-OGRXGRENSA-N 367.426 3.503 0 40 FHAB Cc1nc(-c2ccc(OS(=O)(=O)c3ccc(F)cc3Cl)cc2)no1 32759155 JELZKQKOHHSVGE-UHFFFAOYSA-N 368.773 3.605 0 40 FHAB COc1ccccc1-c1noc(CN(C)Cc2nc3ccccc3s2)n1 32751507 PNLLTBOMGOJDOF-UHFFFAOYSA-N 366.446 3.987 0 40 FHAB Cc1cc(OC[C@H](O)CN2C(C)(C)CC(O)CC2(C)C)ccc1C(C)C 6008657 XUKIHVRTKIVLKB-GOSISDBHSA-N 363.542 3.872 0 40 FHAB CC(=O)Nc1ccc(-c2n(O)c3c([n+]2[O-])-c2cccc4cccc-3c24)cc1 6262451 PADBWXPWSNKOJH-UHFFFAOYSA-N 357.369 3.785 0 40 FHAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 6545494 BLRQLFVQIXCEES-CQSZACIVSA-N 362.832 3.595 0 40 FHAB Cc1oc(C)c(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c1C 32810428 VHYQZHVUFMRULM-UHFFFAOYSA-N 354.450 3.761 0 40 FHAB C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1cccnc1 7146699 YPLCDJGJQWLZDK-SECBINFHSA-N 364.776 3.793 0 40 FHAB COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccccc1C 8132493 XEWXHGNHESRLCM-UHFFFAOYSA-N 370.268 3.875 0 40 FHAB OC1(Cn2ccc3ncccc32)C[C@H]2CC[C@H](C1)N2Cc1ccc(F)cc1 100213336 ZEALJAJREGDOGB-RTBURBONSA-N 365.452 3.734 0 40 FHAB Cc1cc(C)c2c(C)c(C(=O)Nc3ccc4oc(=O)[nH]c4c3)sc2n1 29891132 WVKYRYQNMJSPHH-UHFFFAOYSA-N 353.403 3.908 0 40 FHAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)NCCc1c[nH]c2ccccc12 22595867 RJQPJAJBABDESM-AATRIKPKSA-N 368.820 3.922 0 40 FHAB O=C(Nc1nnc(-c2ccccn2)s1)[C@H]1CCCC[C@H]1C(F)(F)F 46756814 UTPROPUNFJURAL-VHSXEESVSA-N 356.373 3.907 0 40 FHAB O=C(Oc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)c1cccs1 102088951 QQQMANFNRIBDGQ-MWDDYTRKSA-N 367.426 3.503 0 40 FHAB CC(C)c1ccc(CN(C(=O)c2ccc(CNC(N)=O)cc2)C2CC2)cc1 24377072 ADSVCNPGQFHZOC-UHFFFAOYSA-N 365.477 3.783 0 40 FHAB O=S(=O)(Nc1ccc(-n2cc(Cl)cn2)cc1)c1ccc(Cl)cc1 28220203 LVJHZWDVZOWRAE-UHFFFAOYSA-N 368.245 3.980 0 40 FHAB C[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1nnc(-c2ccccc2)o1 25703862 XKUVISPQBAXNMH-NWDGAFQWSA-N 350.378 3.629 0 40 FHAB CC(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(C)c3ccc(Cl)cc32)cc1 27546788 IEIQAPAUXKSIGD-HXUWFJFHSA-N 357.837 3.900 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N(C)Cc2ccccc2OC)c1C 58169932 QYCJFNUZBVPWHB-OAHLLOKOSA-N 372.465 3.520 0 40 FHAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(C(C)(C)C)o2)cc1OC 58202907 HSTDYSHPIKPCBW-SNVBAGLBSA-N 350.440 3.748 0 40 FHAB COC(=O)c1cc(-c2cccs2)nn1-c1ccc(Cl)c(C(=O)O)c1 3264913 FIGLQDUYSOLPQB-UHFFFAOYSA-N 362.794 3.739 0 40 FHAB COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CCC1CCCC1 2320625 PHEJRQJNZZIVDY-UHFFFAOYSA-N 374.437 3.881 0 40 FHAB CCc1cc(C(=O)N(CC)CC)c2c(C)nn(-c3ccc(OC)cc3)c2n1 36621688 MPZUSWORDHUWKV-UHFFFAOYSA-N 366.465 3.782 0 40 FHAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N(C)Cc1ccc(Cl)cc1 3324305 BIVDMKXBQCZONC-CQSZACIVSA-N 360.841 3.613 0 40 FHAB Cc1ccc(CNC(=O)COC(=O)COc2cc(C)ccc2C(C)C)cc1 3319251 ARCLBJOEUONNAC-UHFFFAOYSA-N 369.461 3.665 0 40 FHAB COc1cc(C(=O)Nc2nnc(CC(C)C)s2)ccc1OC(F)F 3352290 SDZSEEUKUOCLOC-UHFFFAOYSA-N 357.382 3.599 0 40 FHAB CC(C)(C)N(Cc1ccccc1)C(=O)COc1ccc2ccc(=O)oc2c1 3318367 FGWLEMKPLUPJDG-UHFFFAOYSA-N 365.429 3.999 0 40 FHAB O=C(Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1)C1CC1 12743684 PBDURUHCQSPUFY-UHFFFAOYSA-N 368.817 3.628 0 40 FHAB C[C@H](SCc1ccccc1)C(=O)NCc1ccc(N2CCCC2)nc1 48230917 OFNKNRVWKWTPKN-INIZCTEOSA-N 355.507 3.620 0 40 FHAB Cc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4ccccc4)CC3=O)c2c1 12866402 RXKXSLBKWFSTJQ-QGZVFWFLSA-N 361.445 3.506 0 40 FHAB COc1ccc(CN(C)C(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1F 12899115 HTDHLSRGTUFSLA-UHFFFAOYSA-N 369.436 3.945 0 40 FHAB O=C1CCc2cc(OS(=O)(=O)c3cc(Cl)ccc3Cl)ccc2N1 12812516 LUKOONMFUGCHGN-UHFFFAOYSA-N 372.229 3.646 0 40 FHAB Cc1ccc(NC(=O)CN(C)C(=O)c2cc3ccc(F)cc3nc2C)cc1 12802892 FFEXHRXNWNPJAE-UHFFFAOYSA-N 365.408 3.701 0 40 FHAB COc1cc(CNC(=O)C[C@@H]2C=CCC2)ccc1OCc1ccncc1 48446081 GOWPRPVLMXLYAO-MRXNPFEDSA-N 352.434 3.642 0 40 FHAB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)N(C)c2ccccc2)o1 8339437 QBIUMHNISUZPTF-ZDUSSCGKSA-N 369.446 3.889 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21 12911433 ZYMBNDAVOQVPRO-CYBMUJFWSA-N 358.825 3.791 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@@H](C)c1ccc(F)cc1 12997521 FMLIJXBGCPZBMS-ZDUSSCGKSA-N 365.408 3.688 0 40 FHAB CCOc1ccc(Cl)cc1/C=C1\NC(=O)N(Cc2ccc(F)cc2)C1=O 3659231 PLTJCBVCSCKGRM-YBEGLDIGSA-N 374.799 3.971 0 40 FHAB Cc1cccc(Nc2nc(NCCCO)nc3c2cnn3-c2ccccc2)c1 17135435 ALKLEJFDIFUWAN-UHFFFAOYSA-N 374.448 3.662 0 40 FHAB CCCn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(F)c(F)cc21 4193236 HAQPNFCNEHTBBG-UHFFFAOYSA-N 363.385 3.523 0 40 FHAB CC(C)Cn1cc[nH]/c1=N\C(=O)c1ccc(N2CCc3ccccc3C2)cc1 64659173 YYAJNLRRHVEDBY-UHFFFAOYSA-N 374.488 3.776 0 40 FHAB COc1ccc(C(=O)Nc2cccc(I)c2)cc1 6284950 HVWYCILXAPGCIP-UHFFFAOYSA-N 353.159 3.552 0 40 FHAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc3c(ccn3CC(=O)N(C)C)c2)C1(C)C 65317833 RNZCMSLAGBRGAP-PXNSSMCTSA-N 367.493 3.906 0 40 FHAB CCOC(=O)c1sc(NS(=O)(=O)c2ccc(Cl)cc2)cc1C 5252585 PCSAOOZPLXKDSO-UHFFFAOYSA-N 359.856 3.687 0 40 FHAB Cc1ccc([C@@H](CC(=O)NCCCN(C)C)[C@@H]2CCOC(C)(C)C2)cc1 5348409 KFXGNULOTVUHLH-WOJBJXKFSA-N 360.542 3.742 0 40 FHAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 14160201 FKDSCELHTQXCDA-ZDUSSCGKSA-N 356.447 3.998 0 40 FHAB O=C(CCNC(=O)c1ccc(Cl)cc1)N[C@H]1CCCc2ccccc21 5442781 WDLPDTHFFBNPGK-SFHVURJKSA-N 356.853 3.654 0 40 FHAB Cc1ccc(-n2ccc(=O)c(C(=O)Nc3ccccc3C(F)(F)F)n2)cc1 5451085 MPSXKYVLOBYQAV-UHFFFAOYSA-N 373.334 3.812 0 40 FHAB O=C(CSc1nc(-c2ccc(F)cc2)c[nH]1)Nc1ccc2c(c1)OCO2 8744724 NJXGAZODNIFLGH-UHFFFAOYSA-N 371.393 3.675 0 40 FHAB Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(C)c(C)c2)cc1C 4649358 WVINDSUZNIDPHD-UHFFFAOYSA-N 367.478 3.627 0 40 FHAB O=C1C[C@@H](N2CCC(C3CCCCC3)CC2)C(=O)N1c1ccc(F)cc1 4776309 YITIBXQNRLZBEQ-LJQANCHMSA-N 358.457 3.750 0 40 FHAB COc1cc(CNC(C)(C)CO)ccc1OCc1ccc(F)cc1Cl 6883146 JGWIWBHDNJRIHR-UHFFFAOYSA-N 367.848 3.927 0 40 FHAB Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1S(=O)(=O)N(C)C 6866607 QYTFTULEWNEKDK-UHFFFAOYSA-N 374.506 3.795 0 40 FHAB Cc1ccc(-c2nnn(Cc3cc(Cl)c4c(c3)OCCCO4)n2)cc1 6978919 YXVRQOIJLXYQKG-UHFFFAOYSA-N 356.813 3.512 0 40 FHAB O=C(Cc1ccc(Br)cc1)Nc1cnn(Cc2ccccc2)c1 28303574 DGPDMPOURADJEZ-UHFFFAOYSA-N 370.250 3.875 0 40 FHAB Cc1ccccc1SCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 7073478 ZEOHAVLZIPNVSI-UHFFFAOYSA-N 368.502 3.964 0 40 FHAB COc1cc(CNCc2ccc(N3CCCC3=O)cc2)cc(Cl)c1OC 15581056 YJBXFSREUHEKJL-UHFFFAOYSA-N 374.868 3.774 0 40 FHAB CNC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)C1 80202741 YXENKOGXBLPZRY-INIZCTEOSA-N 368.477 3.842 0 40 FHAB CC[C@@H](C)n1c(S[C@@H](C)C(=O)NC2CCCC2)nc2ccccc2c1=O 7237525 RFYGLPHIWVOZJB-KGLIPLIRSA-N 373.522 3.907 0 40 FHAB Cn1cc(C(=O)Oc2ccc(NC(=O)c3ccccc3Cl)cc2)cn1 15604299 JPNYTKVDJYTPQG-UHFFFAOYSA-N 355.781 3.545 0 40 FHAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)c1C 7726715 KHYAMONFRPVBLA-UHFFFAOYSA-N 372.490 3.848 0 40 FHAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc2ccccc2n1 8983046 SLJANTNMDZWMEC-GCJKJVERSA-N 357.457 3.991 0 40 FHAB COc1ccc(CSCC(=O)Nc2cc(C)on2)cc1Br 8987767 WHZORJMZYQBCHE-UHFFFAOYSA-N 371.256 3.626 0 40 FHAB CC(C)c1nc([C@H]2CCCCCN2C(=O)Cc2c[nH]c3ncccc23)no1 96001256 JMNWOVGLSASERQ-MRXNPFEDSA-N 367.453 3.756 0 40 FHAB COc1ccccc1OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 9425819 UILHGEUNEVKFEG-UHFFFAOYSA-N 373.364 3.715 0 40 FHAB Cc1nc(-c2cccc(NC(=O)COC(=O)c3ccoc3C)c2)cs1 9502566 OPNPSZWTBIHIOV-UHFFFAOYSA-N 356.403 3.815 0 40 FHAB Cc1ccc(-c2nc(C[S@@](=O)[C@H](C)C(=O)NC(C)(C)C)cs2)cc1 71801237 YIMHNESEIZSSNA-OZAJXLCCSA-N 364.536 3.670 0 40 FHAB Cc1cccc(-c2nc(CC(=O)NCc3nc4ccccc4[nH]3)cs2)c1 9835522 SUJFDYCUEBOMSN-UHFFFAOYSA-N 362.458 3.854 0 40 FHAB Cc1cc(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)on1 76042484 QBIISKJZVZQIFD-UHFFFAOYSA-N 353.466 3.644 0 40 FHAB CC(C)(C)c1ccc(O)c(NC(=O)c2cccc(N3CCOC3=O)c2)c1 71925208 NOGNXYCEFGJHJR-UHFFFAOYSA-N 354.406 3.899 0 40 FHAB O=S(=O)(c1ccccc1)N1N=C(c2cccc(F)c2)C[C@H]1c1ccco1 97105812 CJDKYIOJIJUAHH-SFHVURJKSA-N 370.405 3.959 0 40 FHAB Cc1noc(C)c1COc1ccccc1C(=O)NC[C@@](C)(O)CCC(C)C 72304326 JIBCFDDVJYGJRJ-NRFANRHFSA-N 374.481 3.787 0 40 FHAB Cc1ccc(N2C[C@@H](C(=O)Oc3cccc4cccnc34)CC2=O)cc1C 408650780 BRAANOTVXBKWDP-KRWDZBQOSA-N 360.413 3.810 0 40 FHAB CCN(CC)c1ccc(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)c(O)c1 95373582 VIPWRLDGFUBSPT-HRAATJIYSA-N 368.477 3.841 0 40 FHAB O=C(NC[C@H](O)c1cc2ccccc2s1)C(=O)c1ccc(Cl)cc1 95965145 PTFXTAACPNTLAS-AWEZNQCLSA-N 359.834 3.587 0 40 FHAB COc1cc(NC(=O)c2ccc(CN3CCCC3)o2)c(OC)cc1Cl 27984332 CDVUSPVPIIHAIV-UHFFFAOYSA-N 364.829 3.798 0 40 FHAB O=C(NCc1cccs1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 408709864 YKOAAQFVMYGURX-UHFFFAOYSA-N 362.760 3.675 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1C 408604243 HUMCJPMCXPKFQA-UHFFFAOYSA-N 352.843 3.716 0 40 FHAB Cc1n[nH]cc1-c1nnc(NC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)s1 529123814 XRTXRVGQWDPKTG-OLZOCXBDSA-N 357.414 3.508 0 40 FHAB CCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccc(F)cc2)n1 72378849 DWYUDXQHHZSBMW-SFHVURJKSA-N 364.424 3.946 0 40 FHAB CSc1ccccc1NC(=O)[C@H](C)n1nc(-c2cccs2)ccc1=O 56905921 NZHCJUXEFKWLCE-LBPRGKRZSA-N 371.487 3.893 0 40 FHAB CC(=O)N1CCCCC[C@@H]1C1CCN(c2ncnc3sccc23)CC1 70037019 USSOBMYURVTFBV-QGZVFWFLSA-N 358.511 3.699 0 40 FHAB O=C(NCc1ccco1)c1ccccc1NC(=O)c1c(F)cccc1F 72595706 NSVKGKXUQMONHS-UHFFFAOYSA-N 356.328 3.740 0 40 FHAB COc1cccc([C@H]2C[C@H](O)CN2c2ncc(F)c(-c3ccsc3)n2)c1 561227356 MQRNITFVOVZWOY-WMLDXEAASA-N 371.437 3.665 0 40 FHAB CCc1ccccc1NC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 136531465 XIBKCVJPYNLAAR-OALUTQOASA-N 374.440 3.957 0 40 FHAB CCCCCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2C)c1 224120735 NJHOEYHPNKVEKA-UHFFFAOYSA-N 374.506 3.740 0 40 FHAB CC(C)Oc1ccc(NC(=O)C(C)(C)NC(=O)OCc2ccccc2)cn1 225925100 ORFFVQCOURDLNP-UHFFFAOYSA-N 371.437 3.512 0 40 FHAB S=C(Nc1ccccc1Cl)N1CCN(C2Cc3ccccc3C2)CC1 225210072 UNMUESQFYPMLLI-UHFFFAOYSA-N 371.937 3.822 0 40 FHAB O=C(Nc1c(F)cccc1F)N1CC(c2nc(Cc3ccccc3)no2)C1 77190755 OPZMLUNWEOHMFT-UHFFFAOYSA-N 370.359 3.570 0 40 FHAB COc1ccc(CN[C@H](C)c2onc(-c3ccccc3)c2C(=O)O)cc1 96296882 PABDOMMDKUXXSU-CYBMUJFWSA-N 352.390 3.899 0 40 FHAB biogenic,in-vitro Cc1ccccc1CCC(=O)N1CCC2(CC1)C[C@H](OCC1CC1)CO2 96106624 OXDCHMCTJNENDN-FQEVSTJZSA-N 357.494 3.504 0 40 FHAB Cc1cccc(NC(=O)N2CC[C@]3(CC(=O)N(c4ccccc4C)C3)C2)c1 96238611 LCCPCFUSDHBIFM-QFIPXVFZSA-N 363.461 3.964 0 40 FHAB COc1ccc(C2(C(=O)N3CCC[C@@H]3CCc3ccncc3)CC2)cc1 257225415 FGCODIUUYKSUSI-LJQANCHMSA-N 350.462 3.746 0 40 FHAB Cn1ncc2c1CCCN(C(=O)C(C)(C)c1ccc(Cl)c(Cl)c1)C2 1117997823 PHSMTVBLRIUQRA-UHFFFAOYSA-N 366.292 3.980 0 40 FHAB O=C1C[C@]2(CCN(C(=O)CSc3ccc(F)cc3)C2)Oc2ccccc21 96367348 ZWRDMJIYBLXKBB-FQEVSTJZSA-N 371.433 3.554 0 40 FHAB COC[C@@H]1CN(Cc2ccco2)CC12CCN(Cc1ccccc1)CC2 585102923 IPSPRAOHZPSZRP-FQEVSTJZSA-N 354.494 3.640 0 40 FHAB CC[C@H](C)Oc1ccc(NC(=O)CCc2nc(-c3cccnc3)no2)cc1 55642010 IGSLBMYYNJCHKL-AWEZNQCLSA-N 366.421 3.880 0 40 FHAB O=S(=O)(Nc1cc(-c2ccccc2)on1)c1ccc(F)c(Cl)c1 75093573 JQAPNTVKTUWUJI-UHFFFAOYSA-N 352.774 3.935 0 40 FHAB O=C(NCCc1csc(-c2cccs2)n1)c1ccc2c(c1)OCO2 5451282 AARVQLJEGWGVBR-UHFFFAOYSA-N 358.444 3.573 0 40 FHAB COc1ccc(CNC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 5680843 LXIJEAYPCOMWJK-LBPRGKRZSA-N 364.239 3.541 0 40 FHAB CC(=O)N1c2ccc(NC(=O)c3[nH]nc(-c4ccccc4)c3C)cc2C[C@@H]1C 12147436 VKSHFRVWUCYHTP-ZDUSSCGKSA-N 374.444 3.935 0 40 FHAB CCC[C@H](NC(=O)c1csc(C(C)=O)c1)c1ccc2c(c1)OCCO2 12205451 ZTNWVOIZNWTDNG-HNNXBMFYSA-N 359.447 3.993 0 40 FHAB COc1ccc(CCNCc2cc3cccc(C(C)C)c3[nH]c2=O)cc1 13998823 UDXPCMPPCIVDIP-UHFFFAOYSA-N 350.462 3.992 0 40 FHAB COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)ccc1Cl 14397211 CIHJASNIJSTRHZ-SNVBAGLBSA-N 351.761 3.672 0 40 FHAB COc1ccc(NC(=O)c2oc3c(c2C)[C@H](O)CC(C)(C)C3)c(OC)c1 16740249 MOCIVPWQSHKCAC-CQSZACIVSA-N 359.422 3.863 0 40 FHAB Cc1nc([C@H]2CCCN2C(=O)C2CCCC2)[nH]c(=O)c1Cc1ccccc1 19579186 XVXYVIMNXSGWJO-LJQANCHMSA-N 365.477 3.523 0 40 FHAB C[C@H](NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)c1ccccc1 19937581 WHMQONGRSVCKQZ-ZDUSSCGKSA-N 367.836 3.510 0 40 FHAB CC1CCN(C(=O)CN2C(=O)S/C(=C/C=C/c3ccccc3)C2=O)CC1 6348721 XNIPAWJXJJGKBI-BDKUJZOCSA-N 370.474 3.538 0 40 FHAB COC(=O)[C@@H]1CC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1 226318180 MYZNBDAUEYIMSW-GOWZHPGHSA-N 353.462 3.680 0 40 FHAB CCOP(=O)(CC(=O)NCCc1cccc(Cl)c1Cl)OCC 1776004512 TWPCQDJKKJDCQK-UHFFFAOYSA-N 368.197 3.918 0 40 FHAB CC(C)CN1CC[C@@H]2CN(C(=O)Nc3ccc(F)c(F)c3)C[C@@H]2CC1 2056223616 WMPBCDCHFCJJIN-GASCZTMLSA-N 351.441 3.797 0 40 FHAB CCn1c(SCc2ccccc2Cl)nnc1-c1cn(C)nc1OC 12422655 LHBUDCVSWCWDBW-UHFFFAOYSA-N 363.874 3.653 0 40 FHAB Cc1nn(CCNC(=O)c2nc3ccccc3s2)c(C)c1-c1ccco1 575614731 DEEWNVULLCPRQZ-UHFFFAOYSA-N 366.446 3.800 0 40 FHAB COC(=O)[C@H](C)N1C(=O)S/C(=C\c2cn(C(C)C)c3ccccc23)C1=O 981708 JAVLLCNTRSKEAK-PFSWGADMSA-N 372.446 3.820 0 40 FHAB CC[C@@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1ccc(C(C)C)cc1 13572055 QAELYVVHLHLAIA-CQSZACIVSA-N 355.467 3.986 0 40 FHAB CSc1ncccc1C(=O)NCc1ccc(CN2CCCCC2)cc1 10456731 JTDYFNSEEQDJIQ-UHFFFAOYSA-N 355.507 3.719 0 40 FHAB O=C(NCc1ccc(Cl)cc1)c1cccc(NC(=O)c2cccnc2)c1 40086722 DTTAWERCMNCNMR-UHFFFAOYSA-N 365.820 3.917 0 40 FHAB CCOC(=O)N1CCC(C(=O)N(Cc2ccco2)c2ccccc2)CC1 40012246 MUQQIEQYGCUUDA-UHFFFAOYSA-N 356.422 3.681 0 40 FHAB C[C@H](NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1ccncc1 40115835 XZAHULBECMOFCL-GOEBONIOSA-N 366.490 3.785 0 40 FHAB COc1cc(C(=O)Nc2ccc(C)c3ncccc23)cc(OC)c1OC 31092007 CYBCICVGKCRCCY-UHFFFAOYSA-N 352.390 3.821 0 40 FHAB O=C(COC(=O)c1ccccc1Cl)NCc1ccccc1C(F)(F)F 51356240 LIXHNGIXYWJNGO-UHFFFAOYSA-N 371.742 3.832 0 40 FHAB C[C@H](NC(=O)CSc1ccccc1Cl)c1ccc(NC(N)=O)cc1 45834618 WGAWQVFCYMLWFI-NSHDSACASA-N 363.870 3.800 0 40 FHAB CC(C)N(C)Cc1ccccc1CNC(=S)NCc1ccc(F)cc1 36847573 LMUUPPIRYJFXKG-UHFFFAOYSA-N 359.514 3.830 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)c3ccccc3)o2)cc1OC 917127 BERHKQXSUUWOTK-UHFFFAOYSA-N 356.403 3.729 0 40 FHAB COc1ccc(CCNC(=S)Nc2ccc(F)cc2F)cc1OC 1044447 VRHRNCZSNMLWRE-UHFFFAOYSA-N 352.406 3.511 0 40 FHAB O=C(Nc1ccc2c(c1)nc1n2CCN(c2ccccc2)C1)c1ccco1 1075529 PTXQVKMAMSCYEA-UHFFFAOYSA-N 358.401 3.902 0 40 FHAB CCOc1ncccc1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 8326005 OQRWOAFVSRVYTA-UHFFFAOYSA-N 357.410 3.919 0 40 FHAB CCn1nnc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)n1 2435045 WEIHLXNHOPZKMX-UHFFFAOYSA-N 352.181 3.512 0 40 FHAB Cn1c(SCC(=O)Nc2ccc(OC(F)F)cc2)nc2ccccc21 2656738 NPFOYPMWCDSRLI-UHFFFAOYSA-N 363.389 3.906 0 40 FHAB Cc1ccc(Cl)c(OC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1 3417104 FCWFWZVJYJJESS-UHFFFAOYSA-N 360.765 3.864 0 40 FHAB CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 7360760 PMGBYWLIENPMDI-UHFFFAOYSA-N 366.870 3.669 0 40 FHAB CC(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2C(F)(F)F)cc1 32930166 YOXQPUYIDDAVHD-UHFFFAOYSA-N 354.303 3.733 0 40 FHAB COc1ccc(CC(=O)NCc2ccc(CN3CCCC[C@H]3C)cc2)cc1 32930257 HMEFASOKAQHWEP-GOSISDBHSA-N 366.505 3.929 0 40 FHAB Cc1ccc(C(=O)CCC(=O)N(C)CC(=O)Nc2cccc(F)c2)cc1C 8021222 FKFITXSAXAJMOP-UHFFFAOYSA-N 370.424 3.503 0 40 FHAB CCCNC(=O)c1nc(-c2cccc(C)c2)n(-c2ccc(OCC)cc2)n1 8476400 FYXFZIZJEYBKCI-UHFFFAOYSA-N 364.449 3.781 0 40 FHAB C[C@@H]1CN(c2ccc(C(=O)N3CC[C@@H](C)c4ccccc43)cn2)C[C@@H](C)O1 41968651 QGTHONWOSLLCTO-BRWVUGGUSA-N 365.477 3.849 0 40 FHAB Cc1nc(NC(=N)Nc2cccc(Cl)c2)[nH]c(=O)c1Cc1ccccc1 9287041 ZOQZEUHSHFEMMN-UHFFFAOYSA-N 367.840 3.781 0 40 FHAB Cc1ccc(S[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 58104437 LTALLIVKUAQZTM-MJGOQNOKSA-N 354.519 3.866 0 40 FHAB CC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)N(Cc2nc(C3CC3)no2)c2ccccc21 106170933 ZEBMNEPNJYPDPU-JJRVBVJISA-N 368.481 3.744 0 40 FHAB O=S(=O)(Nc1nnc(C2CCCCC2)s1)c1cccc2cccnc12 28225482 KEZZRTVQYVIWAS-UHFFFAOYSA-N 374.491 3.935 0 40 FHAB CCc1ccc(CN(C)C(=O)c2ccc3c(O)[nH]c(=S)nc3c2)cc1 47056248 AQJPRLQKIQBODB-UHFFFAOYSA-N 353.447 3.833 0 40 FHAB CC(=O)Nc1ccc(NC(=O)C2=C(c3ccccc3)SCCO2)cc1 12322718 PMHBAQRLNRFQDF-UHFFFAOYSA-N 354.431 3.716 0 40 FHAB Cc1nc(-n2cccc2)sc1C(=O)NCCc1c[nH]c2ccc(F)cc12 12321150 CZLDYPMCTQVPSX-UHFFFAOYSA-N 368.437 3.835 0 40 FHAB CC[C@@H](Oc1ccccc1C)C(=O)N(C)Cc1ccc(OC)c(OC)c1 22528453 GGQSYIFSJCELDP-QGZVFWFLSA-N 357.450 3.828 0 40 FHAB CCc1cc2c(CN(CCOC)Cc3ccccc3)cc(=O)oc2cc1O 57435072 FJNVOTDASCLYFY-UHFFFAOYSA-N 367.445 3.710 0 40 FHAB Cc1ccc(NC(=O)CN2CCN(c3cccc(C)c3C)CC2)cc1F 57580598 ZOJOFGXYHKLEAF-UHFFFAOYSA-N 355.457 3.512 0 40 FHAB COc1ccc(/C=C2\C(=O)N(CN(C)C)c3cc(Cl)ccc32)cc1OC 57405818 HXQWNUWKDJTFBJ-SXGWCWSVSA-N 372.852 3.764 0 40 FHAB O=C(CCc1ccc(F)cc1)NCCc1ccc(Br)s1 21072823 GZUWMFDUVCTURK-UHFFFAOYSA-N 356.260 3.941 0 40 FHAB COc1ccc(C(=O)Oc2ccc3c4c(c(=O)oc3c2C)CCC4)cc1 2140193 QMPGKIIAJBZQJB-UHFFFAOYSA-N 350.370 3.818 0 40 FHAB biogenic COc1ccc(C(=O)C2CCN(Cn3c(C)nc4ccccc43)CC2)cc1 12547239 LZAHHWCYXQFLHJ-UHFFFAOYSA-N 363.461 3.906 0 40 FHAB CC(C)CCNc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1 2207154 AKUJCWUGWUYTSJ-UHFFFAOYSA-N 370.478 3.889 0 40 FHAB Cc1nn(C)c2sc(C(=O)NCc3ccccc3OC(F)(F)F)cc12 10850679 ADTSXDRCLDQSCO-UHFFFAOYSA-N 369.368 3.772 0 40 FHAB O[C@@H](CNCc1ccc2c(c1)OCO2)Cn1c2ccccc2c2ccccc21 3268724 JBUNXWMRSNIERK-KRWDZBQOSA-N 374.440 3.674 0 40 FHAB CSc1nc(NCCCN(C)C)c2c3c(sc2n1)COC(C)(C)C3 2424469 LMVRNLLYGBJTSY-UHFFFAOYSA-N 366.556 3.628 0 40 FHAB Cc1ccccc1OCCN(C)C(=O)c1ccc(-c2ccccc2)[nH]c1=O 59251157 JMINQRFTTYQLBC-UHFFFAOYSA-N 362.429 3.501 0 40 FHAB C[C@H](NC(=O)COC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 3318757 LZLOOYWEOQYXRD-LBPRGKRZSA-N 351.324 3.740 0 40 FHAB O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H]1CCc2ccccc21 12775365 QVRMKKUXSRUBDQ-WMLDXEAASA-N 372.877 3.947 0 40 FHAB CC(C)[C@H](C)NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 60322501 SEHPSHMJMMMWLS-AWEZNQCLSA-N 367.331 3.822 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)OCc3cn4cccc(C)c4n3)cc2)n1 12742382 IFKVXYRFGAQQQO-UHFFFAOYSA-N 360.417 3.802 0 40 FHAB O=C(Nn1cnc2ccccc2c1=O)c1sc2cc(F)ccc2c1Cl 12816367 OSKLCLSPWIOSNJ-UHFFFAOYSA-N 373.796 3.788 0 40 FHAB CC(C)Cn1c(SCC(=O)NC(=O)NC2CCCC2)nc2ccccc21 3498648 OYGDUVONRZNGHR-UHFFFAOYSA-N 374.510 3.553 0 40 FHAB CC(=O)c1cccc(NC(=O)CSc2nnc(C)n2-c2ccccc2)c1 3409864 LYSOICMLDJASMV-UHFFFAOYSA-N 366.446 3.509 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(Cl)c(Cl)n2C)cc1 12981832 BACJHDCVVPBUCN-JTQLQIEISA-N 355.221 3.824 0 40 FHAB Cc1c(CCC(=O)Nc2ccc(F)cc2F)c(=O)oc2cc(O)ccc12 13548931 FBNCHTGWMMVORM-UHFFFAOYSA-N 359.328 3.657 0 40 FHAB Cc1cc(C)n2nc(S[C@@H](C)C(=O)c3c[nH]c4ccccc34)nc2n1 8621694 YLOVQCVVYVSMPC-LBPRGKRZSA-N 351.435 3.586 0 40 FHAB O=C(Nc1c(N2CCCC2)c2ccccc2oc1=O)c1cccc(F)c1 28049078 RUNMSFXWHICNFO-UHFFFAOYSA-N 352.365 3.785 0 40 FHAB Cc1noc(C)c1C(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 14234228 DFIKZAXCTMFXJF-UHFFFAOYSA-N 364.327 3.807 0 40 FHAB Cc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1-n1cccc1 5427349 IEDFHHLIFFYQSF-UHFFFAOYSA-N 363.436 3.887 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)Oc3cccc(C)c3)o2)cc1 20899639 YIMNDGWXYUFVQC-UHFFFAOYSA-N 356.403 3.751 0 40 FHAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)O)c(OC)c1 6936383 NNNLQXXHCFPNHQ-UHFFFAOYSA-N 369.295 3.673 0 40 FHAB Cc1cccc2c(=O)n(CC(=O)N[C@H](C)c3ccc4ccccc4c3)cnc12 16224493 SHBSYWFAERZFDZ-MRXNPFEDSA-N 371.440 3.736 0 40 FHAB COc1ccc(OC)c(NC(=O)CN(C)[C@@H]2CCCc3ccccc32)c1 8126443 JHEZDEQEXULANP-LJQANCHMSA-N 354.450 3.652 0 40 FHAB C[C@@H](Sc1ncnc2ccsc12)C(=O)NC(=O)Nc1ccccc1 9385284 JXNWBYQZPDFKJJ-SNVBAGLBSA-N 358.448 3.520 0 40 FHAB c1ccc(OCCCN2CCN(c3nsc4ccccc34)CC2)cc1 9476900 IRMPCDZMXWZFMU-UHFFFAOYSA-N 353.491 3.887 0 40 FHAB C[C@@H](NC(=O)c1cc(Br)ccc1F)c1nc2ccccc2[nH]1 9885280 HYMGURVQUQNQNV-SECBINFHSA-N 362.202 3.956 0 40 FHAB CC(C)Cc1nnc(NC(=O)N[C@@H]2CCCOc3ccc(F)cc32)s1 84575259 GOASVMIUGOKXBJ-CYBMUJFWSA-N 364.446 3.911 0 40 FHAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(-n2ccnc2C)nc1 95963929 CDDQFFZSJMYFNK-SFHVURJKSA-N 350.422 3.680 0 40 FHAB CC[C@H](C)n1c(SCC(=O)Nc2ccccc2)nc2cc(C)[nH]c2c1=O 67238949 IDUOPYBIUUGYTJ-ZDUSSCGKSA-N 370.478 3.735 0 40 FHAB Cc1c[nH]c(-c2ccccc2NC(=O)c2ccc(-n3cncn3)c(C)c2)n1 89591411 RTJXZFCSXUEGSR-UHFFFAOYSA-N 358.405 3.527 0 40 FHAB COc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)cc1 75107521 IALOZKOOAZWDIY-HZPDHXFCSA-N 363.458 3.653 0 40 FHAB Cc1ccc(F)c(C(=O)O[C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)c1N 89626660 WRKNNHGFKCHPJY-KGLIPLIRSA-N 370.424 3.630 0 40 FHAB Cc1c([C@H](C)NC(=O)NCCc2cn3c(n2)CCCC3)oc2ccccc12 79443702 ZAZJIKCCHWYQFF-HNNXBMFYSA-N 366.465 3.877 0 40 FHAB CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3cccc(C(=O)OC(C)C)c3)C(=O)[C@@H]21 409342461 GJRGSRCGCSMATC-FPAYPSAMSA-N 365.429 3.510 0 40 FHAB O=C(c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)N1CCCC1 408784952 DQKTWWQIOOMNJO-OAQYLSRUSA-N 366.486 3.697 0 40 FHAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccncc3)[C@](O)(C(F)(F)F)[C@H]2C1 409094506 DLINXHWMNLHEDN-IIYDPXPESA-N 369.387 3.607 0 40 FHAB O=C(NC[C@H]1Cc2ccccc2O1)c1cc(-n2cccc2)ccc1Cl 1544978405 FSFFJDGDNRDHBX-MRXNPFEDSA-N 352.821 3.864 0 40 FHAB COc1ccc2c(c1)c([C@@H]1CN(Cc3cccs3)C[C@H]1N(C)C)cn2C 72395531 IIOYJJDGUATNSX-PZJWPPBQSA-N 369.534 3.778 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H](Cc2cc(Nc3ccccn3)ncn2)C1 72383449 KUWHRPMUGANOSR-OAHLLOKOSA-N 369.469 3.805 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N3CCCC3)nc2)cc1 72215931 LMUIJKHBSSNVIJ-LJQANCHMSA-N 371.506 3.516 0 40 FHAB CCOc1ccc(-c2nc(NC(=O)COc3cc(C)cc(C)c3)no2)cc1 32624248 LBPRRSCLVQCUTR-UHFFFAOYSA-N 367.405 3.770 0 40 FHAB CCCC[C@H](CC)CNC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 224412038 PUZMZVXTZTUSAY-LBPRGKRZSA-N 360.907 3.658 0 40 FHAB COc1ccc(-c2nnsc2C(=O)N[C@H](C)c2ccc(OC)cc2)cc1 225887942 YJETZOGLWZSRNO-GFCCVEGCSA-N 369.446 3.713 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(C(=O)O)o3)cc2)cc1 226352857 DXMKVZCORDGZKY-UHFFFAOYSA-N 357.387 3.754 0 40 FHAB COC(=O)N1CCc2ccc(F)cc2[C@@H]1C(=O)Nc1ccccc1SC 77200033 PRGCMHOTSDUGDP-QGZVFWFLSA-N 374.437 3.852 0 40 FHAB O=S(=O)(Cc1cccc(Cl)c1)NCc1cccnc1-c1ccco1 225662826 MZBNXBRXKLFUSY-UHFFFAOYSA-N 362.838 3.615 0 40 FHAB O=C(Cc1ccc(Cl)cc1F)N1CCN(c2ccccc2F)CC1 225786714 CYQTVEWCJLBPTM-UHFFFAOYSA-N 350.796 3.510 0 40 FHAB CCc1ccccc1NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl 222488520 GYRBYEKOMYAVOU-UHFFFAOYSA-N 366.870 3.551 0 40 FHAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1cccnc1 222831444 WGSOFOZVWJKAGT-OAHLLOKOSA-N 373.884 3.569 0 40 FHAB CCOc1ccc(CCCNC(=S)Nc2ccc3c(c2)OCO3)cc1 225621960 HONHIRBHRDDQLH-UHFFFAOYSA-N 358.463 3.733 0 40 FHAB CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224805839 XGMVJEDQGREHIT-UHFFFAOYSA-N 369.870 3.881 0 40 FHAB CCOC[C@@H]1CN(Cc2ccncc2)Cc2cnn(CC3CCCC3)c21 96198447 QKIHVJZSDSSZMX-FQEVSTJZSA-N 354.498 3.604 0 40 FHAB Cc1nc(C)n(C[C@H](C)C(=O)N[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)n1 257367443 UEKXWGMCTCTPBI-NAHVHIFSSA-N 366.509 3.620 0 40 FHAB COc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)ccc1F 257233126 GNXKAKOPIDSULT-FHTJZXIESA-N 361.457 3.853 0 40 FHAB COC(=O)c1ccc(C(=O)NCCc2ccc(-c3ccoc3)s2)cc1 390832470 ZPHHNVIQFCLYQI-UHFFFAOYSA-N 355.415 3.767 0 40 FHAB Cc1ccccc1CN1CCc2oc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)nc2C1 585111846 HPNJJDHKRLHMGD-IYBDPMFKSA-N 367.493 3.659 0 40 FHAB C[C@H](NC(=O)Nc1ccccc1C(F)(F)F)c1ccc2[nH]c(=O)[nH]c2c1 58209728 OUZFDTGHHXNSGV-VIFPVBQESA-N 364.327 3.758 0 40 FHAB Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=O)/C=C/c1ccco1 2221854 HGHUOGMWYGZWMQ-SOFGYWHQSA-N 365.418 3.715 0 40 FHAB CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c1 5118480 CNRJHXXCLVVQST-UHFFFAOYSA-N 366.200 3.992 0 40 FHAB Cc1cc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)ccc1Cl 13995773 MFQFITWBUWVHPE-UHFFFAOYSA-N 372.852 3.902 0 40 FHAB COCCc1ncc(CN[C@H]2[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)cn1 19593867 YKSBZZSRYMGFJO-UGESXGAOSA-N 351.494 3.728 0 40 FHAB Cc1ccc(-c2ccc(/C=C3\NC(=O)N(C)C3=O)o2)c(Br)c1 8368386 JOFZMUXGYCYMDN-JYRVWZFOSA-N 361.195 3.540 0 40 FHAB CCN(CC)CCC[C@H](C)NC/C=C/CN[C@H](C)CCCN(CC)CC 6382013 SKSMATDELKNRQJ-YKTZESGISA-N 368.654 3.743 0 40 FHAB O=C(N[C@H](c1cccnc1)C1CCOCC1)NC12CC3CC(CC(C3)C1)C2 225623489 HQJCDNMNLUZVLI-FQYNAJQUSA-N 369.509 3.817 0 40 FHAB NNc1nc2c(Br)cc(NC(=O)c3ccccc3)cc2s1 226309525 IPZQWSRLYIGVRU-UHFFFAOYSA-N 363.240 3.597 0 40 FHAB O=C(CCn1c(-c2cccnc2)cc2cccnc21)NCc1ccccc1F 12328122 GJNDAVWSXKJHHB-UHFFFAOYSA-N 374.419 3.944 0 40 FHAB Cc1cnn(CC2CN(c3nc4c(C(F)(F)F)cccc4s3)C2)c1 1889168609 JPNQKQHIRJWUFX-UHFFFAOYSA-N 352.385 3.956 0 40 FHAB COc1cccc(-c2nc3c(c(=O)[nH]2)Cc2cc(Cl)ccc2O3)c1O 6748427 DPZMCWLGFPVIFK-UHFFFAOYSA-N 356.765 3.501 0 40 FHAB CC(C)C(=O)N1CCCc2ccc(NS(=O)(=O)C3CCCCC3)cc21 12180537 ZVVVSIILKPDMJD-UHFFFAOYSA-N 364.511 3.696 0 40 FHAB Cc1nn(Cc2c(F)cccc2Cl)c(=O)c2c1cnn2-c1ccccc1 12228097 HRZVVZTWMWTWLX-UHFFFAOYSA-N 368.799 3.731 0 40 FHAB CC(C)NC(=O)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 2055754792 UTYCZLGTJQTZAG-UHFFFAOYSA-N 351.494 3.658 0 40 FHAB COc1ccccc1CNC(=O)c1sc(Nc2cccc(C)n2)nc1C 49006130 PBIDDNBPRDANDB-UHFFFAOYSA-N 368.462 3.837 0 40 FHAB Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)c1 40073287 DQADRBUNTYZXPU-LJQANCHMSA-N 350.462 3.723 0 40 FHAB Cc1ccc(SCC(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)cc1 40080187 HEJVNZMMBHLEQZ-KRWDZBQOSA-N 370.522 3.769 0 40 FHAB CC(C)[C@@H](NC(=O)CCc1nc(-c2ccccn2)no1)c1cccs1 30573135 SRYNQCNQTHTDOR-QGZVFWFLSA-N 356.451 3.639 0 40 FHAB CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cc2)C1 59739941 PZAFVCDSIPQURP-GFCCVEGCSA-N 367.287 3.672 0 40 FHAB CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1ccccc1 870539 IYOBKZPKWAEQDY-ZBFHGGJFSA-N 358.511 3.752 0 40 FHAB Cc1ccc(C(=O)N(CC(=O)NC2CCCC2)Cc2cccs2)s1 1330261 PQYPZQYEEDHYKI-UHFFFAOYSA-N 362.520 3.819 0 40 FHAB CCCn1c(SCC(=O)N2CCCc3ccccc32)nnc1C(C)C 1364213 KEIPCHXBTBDALS-UHFFFAOYSA-N 358.511 3.883 0 40 FHAB Cc1ccccc1NC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 4856793 RSTFYUCCHONANF-JSJNYSNDSA-N 372.424 3.559 0 40 FHAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cn(C)c3ccccc23)C1=O 6939119 YUIAPVUZYFTKGE-RGZVIEDOSA-N 372.446 3.556 0 40 FHAB Cc1ccc(-c2noc(CNC(=O)COc3ccc(Cl)cc3C)n2)cc1 7759092 CFQMHSMDEJZUBD-UHFFFAOYSA-N 371.824 3.702 0 40 FHAB Cc1cc(O[C@H](C)C(=O)NCCCN2CCC(C)CC2)cc(C)c1Cl 10541008 MSKWKPQDNSPDRA-QGZVFWFLSA-N 366.933 3.962 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2)cc1 8516847 VGFWOIABAIJQGY-LJQANCHMSA-N 360.479 3.711 0 40 FHAB C[C@@H](NCc1cnc([C@@H]2CCCO2)s1)c1ccc(N2CCCC2=O)cc1 89904801 ULYWQBGCLZCOHM-KDOFPFPSSA-N 371.506 3.972 0 40 FHAB Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(C(C)(C)C)cc2)no1 12028942 TUBXBGDRSHVXTH-INIZCTEOSA-N 355.438 3.524 0 40 FHAB CCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)cc1 12062768 AXUCLOBBWBGBDC-OAQYLSRUSA-N 368.477 3.661 0 40 FHAB biogenic CN1CCN(Cc2ccc(C(=O)c3cccc(Cl)c3Cl)cc2)CC1 22027945 QUAXCIFUIDLRGO-UHFFFAOYSA-N 363.288 3.972 0 40 FHAB COc1cc(CNCc2csc(C(C)(C)C)n2)cc(OC)c1OC 53017540 VNCHBQPATJTKBZ-UHFFFAOYSA-N 350.484 3.756 0 40 FHAB CCCc1nc(-c2cccc(OCC(=O)Nc3ccccc3OC)c2)no1 33327486 XOEIUXMPGOAZSB-UHFFFAOYSA-N 367.405 3.715 0 40 FHAB CC1(C)[C@H]2CC[C@@]1(C)c1nc(S[C@@H]3Cc4ccccc4C3=O)nnc12 100476986 XVEIPILUCCXLNH-MNVSYLFESA-N 351.475 3.946 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)c3cccc(Br)c3)ccc21 12133298 LAUQFJOYXDELLW-UHFFFAOYSA-N 359.223 3.610 0 40 FHAB CCCCS(=O)(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 53667820 HJSQAONWAIHVED-UHFFFAOYSA-N 356.875 3.791 0 40 FHAB Cc1ccc2c(c1)c1c(n2CCN2C(=O)c3ccccc3C2=O)C(=O)CCC1 755066 GIZDMVSZAPAZTQ-UHFFFAOYSA-N 372.424 3.765 0 40 FHAB C[C@H](NC(=O)COc1cccc(Br)c1)[C@H]1C[C@@H]2CC[C@@H]1C2 103075132 FDRDZYSCVFNPHX-VPWBDBDCSA-N 352.272 3.769 0 40 FHAB Cc1ccc2oc(C(=O)Nc3ccnn3Cc3cccs3)cc(=O)c2c1 12323422 CXPXRNGQEXEOFU-UHFFFAOYSA-N 365.414 3.660 0 40 FHAB COc1cc(CN[C@H]2CCC[C@H](C)[C@@H]2C)ccc1OCC(=O)N1CCCC1 107326528 XLTHLDILRPMXCA-LNLFQRSKSA-N 374.525 3.611 0 40 FHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 105676177 QBDMJGWZBVOBEO-FJIDUMEYSA-N 356.514 3.537 0 40 FHAB CC(C)CNC(=O)c1ccc(NC(=O)CC(C)(C)CC(=O)O)cc1Cl 55150977 NRNNOAJYEJDRDQ-UHFFFAOYSA-N 368.861 3.555 0 40 FHAB C[C@@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(Cl)cc1 25701483 TXTAPEIDRAQKBG-CYBMUJFWSA-N 357.841 3.906 0 40 FHAB O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)N1CCc2ccccc2C1 47580870 AHYWCEOYNIBHJV-HXUWFJFHSA-N 352.434 3.835 0 40 FHAB COc1cccc(CN2COc3ccc4c(C)c(C)c(=O)oc4c3C2)c1 55393842 DZZLTAUWHQOURM-UHFFFAOYSA-N 351.402 3.771 0 40 FHAB CC1CCC(NC(=O)Nc2cc3c(cc2Br)OCCO3)CC1 43455867 UYYYOISPSROSLJ-UHFFFAOYSA-N 369.259 3.921 0 40 FHAB O=C1/C(=C/c2csc(-c3ccsc3)n2)NC(=S)N1Cc1ccco1 104165595 AOQSDEZGZXPIBB-MLPAPPSSSA-N 373.484 3.722 0 40 FHAB CC(C)=C[C@H]1[C@@H](C(=O)OCC(=O)Nc2ccc3c(c2)OCCCO3)C1(C)C 26083507 HGDAVHGONCBAEB-KXBFYZLASA-N 373.449 3.568 0 40 FHAB Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 12548413 NNHYOQIAOHIVAZ-UHFFFAOYSA-N 364.423 3.524 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=S)NC(=O)c1ccccc1Br 3258925 NKLNOFMQXXTAHD-GXFFZTMASA-N 355.301 3.632 0 40 FHAB CCCCN1C(=O)[C@@H](C(=O)OCC)[C@@H](C(C)C)n2c1nc1ccccc12 20638149 UEMPXKZNNQIKML-DLBZAZTESA-N 357.454 3.559 0 40 FHAB CC1(C)CC[C@@H](NC(=O)c2ccc(Cn3cncn3)cc2)c2ccccc21 58157063 MPJHGOQRBLJXBV-HXUWFJFHSA-N 360.461 3.869 0 40 FHAB O=S(=O)(CC1CCCCC1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 119732381 IXERABCWFBFSMJ-KRWDZBQOSA-N 374.510 3.519 0 40 FHAB CCC[C@H](NC(=O)[C@H]1CC=CCC1)C(=O)Nc1cccc(N2CCCC2)c1 58323117 JHPIMXCFUCMXLY-PXNSSMCTSA-N 369.509 3.867 0 40 FHAB O=C(c1cccc[n+]1[O-])N1CCC(c2nc3cc(Cl)ccc3s2)CC1 45014521 ZOOWDEBQKOFJPV-UHFFFAOYSA-N 373.865 3.603 0 40 FHAB CC(=O)Nc1ccc(NC(=O)COc2ccccc2F)c(C(F)(F)F)c1 10641191 MBJRGKWWQBDLAV-UHFFFAOYSA-N 370.302 3.820 0 40 FHAB COc1ccccc1[C@H]1C[C@H](c2ccccc2Cl)Nc2nc(N)nn21 2323370 VGTMWWUFYNXJNJ-HUUCEWRRSA-N 355.829 3.669 0 40 FHAB Cc1ccc(N2C[C@@H](C(=O)N[C@H](C)c3cccc(Cl)c3)CC2=O)cc1 12787180 CEPINYPNQJOEHX-ZBFHGGJFSA-N 356.853 3.879 0 40 FHAB O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)[C@@H]1CCCO1 12742207 KOBPCANRNVVAFV-ZDUSSCGKSA-N 356.369 3.870 0 40 FHAB C[C@@H](SCc1ccccc1)C(=O)NC[C@H]1CCN(c2ccccc2)C1 48356115 FAFCEPZCTOPHSE-IEBWSBKVSA-N 354.519 3.951 0 40 FHAB COc1ccc(-c2noc(CN(C)Cc3sccc3C)n2)cc1OC 12825475 SHZBTSJFAAFQKQ-UHFFFAOYSA-N 359.451 3.756 0 40 FHAB CCOc1ccccc1N1C[C@H](C(=O)Nc2cccc(C)c2C)CC1=O 3482019 DFGKOBGIFWQNME-MRXNPFEDSA-N 352.434 3.694 0 40 FHAB COc1cc(C(=O)N[C@H]2CCSc3ccccc32)cc(OC)c1OC 18134116 XTNIMYYNIYTVNJ-AWEZNQCLSA-N 359.447 3.679 0 40 FHAB Cn1c(SCc2coc(-c3cccs3)n2)nnc1-c1ccncc1 6138014 BIFNZRIUDCOJLW-UHFFFAOYSA-N 355.448 3.886 0 40 FHAB CCOc1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1 5121388 NIRXSDNYZTZBFK-UHFFFAOYSA-N 356.241 3.649 0 40 FHAB CCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)N3CCCCC3)c12 4450640 QPZDEJISBWJLHP-UHFFFAOYSA-N 366.383 3.961 0 40 FHAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccccc3)o2)C1=O 4590978 VJSUHQOFNJLUCN-PILJQMSFSA-N 371.414 3.935 0 40 FHAB CC(C)[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1nc2ccccc2[nH]1 6604658 XKDXVXXSWLFBPW-UGSOOPFHSA-N 355.413 3.983 0 40 FHAB COc1cc(C=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 4739261 ILYFYOHJEWKEEH-UHFFFAOYSA-N 354.189 3.832 0 40 FHAB CCCCn1nc(C(=O)NCc2cccc(Cl)c2)c2ccccc2c1=O 6887250 QLHHIOQSGGWWEB-UHFFFAOYSA-N 369.852 3.780 0 40 FHAB CCCNC(=O)[C@@H](C)SCCCC(=O)Nc1c(C)cc(C)cc1C 15492745 UMYLAUJKZHWVEA-MRXNPFEDSA-N 350.528 3.978 0 40 FHAB COc1ccc(/C=C/C(=O)N(C)Cc2nnc(-c3ccc(C)cc3)o2)cc1 408713876 BRUKVBKAPRUVRO-MDWZMJQESA-N 363.417 3.725 0 40 FHAB CCc1cccc(OCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)c1 7408235 QUEDVJHVMARFDO-UHFFFAOYSA-N 354.450 3.749 0 40 FHAB CCOc1ccc(NC(=O)CNc2ccc(C(C)=O)cc2)cc1OCC 7953111 HFAIEFFIZJCAFH-UHFFFAOYSA-N 356.422 3.737 0 40 FHAB O=C(CSc1nnnn1C1CCCC1)Nc1ccc2ccccc2c1 8231924 OPUUKEIWMUVWQL-UHFFFAOYSA-N 353.451 3.672 0 40 FHAB CCc1ccc(-c2csc(NC(=O)Cn3c(C)csc3=O)n2)s1 9479277 CYLORGPKRDDCLA-UHFFFAOYSA-N 365.505 3.604 0 40 FHAB CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3ccc(C)cc3)n2)o1 9479295 CPKGHPJJDGVKKY-UHFFFAOYSA-N 369.446 3.529 0 40 FHAB CCCc1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3C)c2)cc1 17075760 JMXCDESLYLPVQN-UHFFFAOYSA-N 369.490 3.993 0 40 FHAB C[C@@H](CNC(=O)NCc1ccc2c(c1)OCO2)c1nc2ccccc2s1 69559034 GFNFZDCYAWRHSG-LBPRGKRZSA-N 369.446 3.628 0 40 FHAB CCc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)O)c2)cc1 20192137 JLJLCVPBPKQRRM-UHFFFAOYSA-N 362.838 3.727 0 40 FHAB CCc1nc(C)c(C(=O)N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)s1 83830223 KDSDLDMRCYPLCA-CQSZACIVSA-N 371.466 3.586 0 40 FHAB CC(C)(C)c1ccc(C(=O)NCC(=O)N[C@@H]2CCCc3sccc32)cc1 97147935 VSNVMKSRHQNLKM-QGZVFWFLSA-N 370.518 3.969 0 40 FHAB CS[C@@H]1CC[C@@H](N(C)C(=O)CCCc2nnc(-c3ccccc3)o2)C1 78934106 ILSAUEKYQXTLOU-HZPDHXFCSA-N 359.495 3.802 0 40 FHAB O=C(N[C@@H]1CCSc2c(F)cccc21)C1=NO[C@H](c2ccccc2)C1 84525312 YKHCVTFRCSDLPC-WBVHZDCISA-N 356.422 3.996 0 40 FHAB CC(C)c1nn(C)c(Cl)c1CN[C@H]1CCCN(Cc2ccccc2)C1 84622401 NNDNMFIIXKQGNX-KRWDZBQOSA-N 360.933 3.951 0 40 FHAB O=C(c1c(O)cc(F)cc1F)N1CCC[C@H](c2nc3ccccc3o2)C1 84600322 WTLZMOJRVCADNZ-NSHDSACASA-N 358.344 3.831 0 40 FHAB Cc1ccc(Nc2nn3c(=O)c(-c4ccc(Cl)cc4)nnc3s2)cc1 27526341 VERROZGQIGGUKQ-UHFFFAOYSA-N 369.837 3.918 0 40 FHAB COc1ccc(N2Cc3cc(Cl)cc(OC)c3O[C@H](C)C2=O)cc1F 75165561 OPWDSMLJHRWKKK-SNVBAGLBSA-N 365.788 3.810 0 40 FHAB CCNc1scnc1C(=O)O[C@H](C)C(=O)Nc1cc(Cl)ccc1C 75104195 BWIIDXXRENLABL-SNVBAGLBSA-N 367.858 3.721 0 40 FHAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 20044015 SSGSIVCDEZXKQO-HNNXBMFYSA-N 352.434 3.782 0 40 FHAB CC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 408708842 UMLCIAYIYKKPJQ-HPUBIQBYSA-N 360.473 3.900 0 40 FHAB c1ccc(-c2nn(-c3ccccc3)cc2CN=c2[nH]cnc3[nH]ccc23)cc1 507955966 MNEBNRWTPKNOQX-UHFFFAOYSA-N 366.428 3.845 0 40 FHAB CCn1cc(C(=O)Nc2cccc(NC(C)=O)c2)c(=O)c2cc(C)ccc21 408713318 SKVVQFLBNXCZOE-UHFFFAOYSA-N 363.417 3.541 0 40 FHAB FC(F)(F)c1ccc(NNC(=S)NCCCc2ccccc2)nc1 408586791 QVRCFSYHCBRQON-UHFFFAOYSA-N 354.401 3.524 0 40 FHAB COc1ccc(Cl)cc1C1=N/C(=C\c2ccccc2OC(C)=O)C(=O)O1 409195613 UIVYNLGZCYNMFY-DHDCSXOGSA-N 371.776 3.618 0 40 FHAB CC(C)Oc1ccc(S(=O)(=O)Nc2cccc(-c3cccnc3)n2)cc1 1522903238 LOJKWURAFYNPMN-UHFFFAOYSA-N 369.446 3.732 0 40 FHAB COc1ccc(C(=O)N2CCCC[C@@H]2c2cccnc2)cc1-n1cccn1 524729920 OKISUCMBAARIBU-GOSISDBHSA-N 362.433 3.643 0 40 FHAB biogenic COc1cccc(OC)c1CN1[C@H]2CC[C@@H]1Cc1nc(C(C)C)ncc12 72341920 GNCWJQAACMERPK-KDOFPFPSSA-N 353.466 3.879 0 40 FHAB Cc1ccccc1CC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 32817305 RTGQKIXYWPWZIB-UHFFFAOYSA-N 357.475 3.893 0 40 FHAB O=C(c1cnccn1)N1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 72357836 NQBTUWWEHWZVTK-FQEVSTJZSA-N 362.408 3.579 0 40 FHAB Cc1ccc(NC(=S)N2CCN(C3Cc4ccccc4C3)CC2)cc1C 225210026 CRJFAOFDXUHBIF-UHFFFAOYSA-N 365.546 3.785 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl 223011769 FOHOTXQGQIMAHV-LJQANCHMSA-N 372.896 3.744 0 40 FHAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2C[C@@H]2CCCO2)S1 222602347 DQVOFCNTHZRMDZ-LNMJFAINSA-N 368.506 3.651 0 40 FHAB CCOC(=O)C1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 44596798 SNKYRNTZCHZQOS-UHFFFAOYSA-N 358.265 3.728 0 40 FHAB FC(F)(F)c1nnc2ccc(N[C@@H](c3ccccc3)c3ccccn3)nn12 40034710 MKSHXGDOINCLLE-INIZCTEOSA-N 370.338 3.740 0 40 FHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)/C=C/c1c(F)cccc1F 40131258 RGYBWNJGJOIDAR-PLSXKVAHSA-N 368.387 3.778 0 40 FHAB COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 44933201 CQWZUCZOPYPKQP-VQIMIIECSA-N 370.468 3.924 0 40 FHAB COc1ccc(CN2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)cc1 96050574 DDGSVEIXXDODSO-HSZRJFAPSA-N 364.489 3.628 0 40 FHAB CC(C)n1c(C(=O)N2CCC(N(C)C)CC2)cc2c1c1ccccc1n2C 96146285 HRDKDEUUUWWIGW-UHFFFAOYSA-N 366.509 3.880 0 40 FHAB CC(C)N1CCN(C(=O)c2cc3c(c4ccccc4n3C)n2C(C)C)CC1 96037281 MBGIAFNEPVWCCY-UHFFFAOYSA-N 366.509 3.880 0 40 FHAB COc1ccc(CN(C)C[C@H](O)CO[C@H]2CCCc3ccccc32)cc1 245228139 GMYMEZZHOLIHEL-UGKGYDQZSA-N 355.478 3.582 0 40 FHAB O=C1CC[C@H](NC(=O)C2(Cc3cccc(F)c3)CCCCC2)C2(CCC2)N1 585083172 CKAIRCIRVSAGBQ-SFHVURJKSA-N 372.484 3.636 0 40 FHAB COc1cccc(CN(CC(=O)O)C2CCN(c3ccc(C)cc3)CC2)c1 257261941 LJJNLCKRKNMVOL-UHFFFAOYSA-N 368.477 3.559 0 40 FHAB O=C(O)CN(Cc1ccc(F)cc1)C1CCN(c2cccc(F)c2)CC1 257273806 NIGNMQDFIHKUFG-UHFFFAOYSA-N 360.404 3.520 0 40 FHAB Cc1ncccc1C(=O)N1CCC[C@@H](c2ccnc(Nc3ccccn3)c2)C1 257210945 BWVBWNHAJITXPK-GOSISDBHSA-N 373.460 3.943 0 40 FHAB COc1ccccc1CN(C)C(=O)c1ccnc(-c2scnc2C)c1 257259523 KYTHJBFMQYRZHA-UHFFFAOYSA-N 353.447 3.794 0 40 FHAB Cc1cc(N2CCN(Cc3ccc(C(=O)O)cc3)CC2)c2ccccc2n1 65398961 KIZDVLIXYCHHII-UHFFFAOYSA-N 361.445 3.564 0 40 FHAB CO[C@@H]1CCN(c2ccc(NC(=O)CCc3ccc(C)c(F)c3)cc2)C1 96122260 UFAHFQIUNHKBMC-LJQANCHMSA-N 356.441 3.931 0 40 FHAB C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)Nc2ccccc2)C1=O 651978247 MMXDPPISTAHJLH-KBXCAEBGSA-N 355.413 3.699 0 40 FHAB FC(F)(F)C(F)(F)c1cnc(Cl)cc1I 91252240 VDFUXOZNZFMDNS-UHFFFAOYSA-N 357.447 3.994 0 40 FHAB Cc1ccccc1OCC(=O)NCc1nn(C2CCCC2)c2c1CCCC2 96099219 UVSIGAOUXAYYIN-UHFFFAOYSA-N 367.493 3.881 0 40 FHAB CC1(C)Oc2cc(-c3cccc(CO[C@@H]4CCOC4)c3)ccc2NC1=O 665180683 SXYKDXUUZKTACC-QGZVFWFLSA-N 353.418 3.769 0 40 FHAB Cn1c(NC(=O)[C@@H]2CCN(c3ccccc3F)C2)nc2cc(Cl)ccc21 685666533 BEXJKGQFGJQZNK-GFCCVEGCSA-N 372.831 3.831 0 40 FHAB COc1ccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1 11483114 JLRRZPOXYZYKAD-UHFFFAOYSA-N 353.340 3.704 0 40 FHAB CC1(C)Cc2nc(-c3cccnc3)ncc2[C@H](NC(=O)C2CCCC2)C1 12221077 AEBQGZNJETYJTD-GOSISDBHSA-N 350.466 3.859 0 40 FHAB Cc1cc(C)n(C[C@H](C)C(=O)N[C@H](Cc2cccs2)c2nccs2)n1 12225897 LUSCBHWAQUFLMY-BLLLJJGKSA-N 374.535 3.754 0 40 FHAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)c(Cl)c1Cl 13671112 XBPZMWWTCSCCQG-UHFFFAOYSA-N 358.246 3.753 0 40 FHAB O=C(CCSCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 13688000 NMARMLMLASMSFF-UHFFFAOYSA-N 358.482 3.798 0 40 FHAB Cc1cc(Cl)ccc1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 14492477 SLZZSZFQFJQYJL-UHFFFAOYSA-N 353.809 3.506 0 40 FHAB O=C(C[C@H]1Nc2ccccc2OC1=O)Nc1cccc(Cl)c1Cl 17072828 RJEQDOAIFCIFOX-GFCCVEGCSA-N 351.189 3.722 0 40 FHAB CCn1nnc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)n1 17073863 JHNCVKLPYWAVAJ-VQHVLOKHSA-N 357.801 3.567 0 40 FHAB CN(Cc1c(C2CCOCC2)[nH]c2ncccc12)C[C@H](O)c1ccccc1 19586378 LRLVZVRISXACIY-FQEVSTJZSA-N 365.477 3.622 0 40 FHAB Cc1ccc(C(=O)N2CCCCC[C@H]3N[C@H](Cc4ccccc4)C[C@@H]32)cn1 19712978 JIFPEWVZRJVWLU-VSKRKVRLSA-N 363.505 3.748 0 40 FHAB Cc1cccc(C(=O)Nc2cnn(-c3ccccc3Br)c2)n1 154948278 IAIHEUJNABBTNG-UHFFFAOYSA-N 357.211 3.591 0 40 FHAB Cc1ccc(/C=C2\SC(=O)N(CC(=O)N(C(C)C)C(C)C)C2=O)cc1 8371621 OGINIWLOOGKQLP-YBEGLDIGSA-N 360.479 3.677 0 40 FHAB Cc1noc(C)c1COC(=O)c1ccccc1NC(=O)c1ccccc1 5212192 QEOWJLCESHLWGF-UHFFFAOYSA-N 350.374 3.901 0 40 FHAB CSc1ncccc1C(=O)NC[C@H](O)c1ccc(-c2cccs2)o1 1888941707 KMTNIDUOODYKLV-LBPRGKRZSA-N 360.460 3.588 0 40 FHAB CSc1cccc(-c2nnc(NC(=O)c3ccc(C(C)=O)cc3)o2)c1 5240257 DDTSIZSSPFXACA-UHFFFAOYSA-N 353.403 3.913 0 40 FHAB Cc1ccc2c(c1)OCC(=O)N2Cc1nc(-c2ccccc2Cl)no1 23126081 HUONBCINWZBCCO-UHFFFAOYSA-N 355.781 3.624 0 40 FHAB CCN(CC)c1ccc(CNC(=O)CCc2c[nH]c3ccccc23)cn1 40118598 IAWFRXXLONKTKH-UHFFFAOYSA-N 350.466 3.658 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)n1c(C)nc2ccccc2c1=O 30579062 HIFIVFDLIKQPCI-LLVKDONJSA-N 371.824 3.567 0 40 FHAB COCCCNC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O 30819178 QVKNHRBGIFDAEL-UHFFFAOYSA-N 371.433 3.550 0 40 FHAB Cc1cccc(N2CCN(C[C@@H](O)c3c(C)[nH]c4ccccc34)CC2)c1C 20444414 OYEQUBUEWXNEPF-JOCHJYFZSA-N 363.505 3.949 0 40 FHAB CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)n2cnc3ccccc32)c1 31834599 CCYOQYQCBJJHIR-OAHLLOKOSA-N 364.449 3.718 0 40 FHAB COc1cc2c(cc1OC)-c1c(c(C(=O)O)nn1-c1ccc(Cl)cc1)C2 32089333 GAMVGEDJEHSGOY-UHFFFAOYSA-N 370.792 3.812 0 40 FHAB O=C(c1cc(F)cc(F)c1)c1cccc(CN2CCC3(CC2)OCCO3)c1 2515258 HGVWQZOANLTDAA-UHFFFAOYSA-N 373.399 3.535 0 40 FHAB CCc1ccc(N2C[C@H](C(=O)NCc3ccccc3Cl)CC2=O)cc1 832738 DNWFXILHMLGQAJ-MRXNPFEDSA-N 356.853 3.572 0 40 FHAB Cc1cc(NC(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)no1 2642385 WVDPPKUAIHQHND-UHFFFAOYSA-N 368.773 3.786 0 40 FHAB CN(C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 20890354 QHIKYRBQEJKABH-UHFFFAOYSA-N 363.383 3.980 0 40 FHAB CCC(=O)N(C)C1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 1677765 FZZRPUCBLCDIJU-UHFFFAOYSA-N 355.825 3.600 0 40 FHAB CC(C)(C)NC(=O)CC[C@@H](CC(=O)NC(C)(C)C)OCc1ccccc1 1852447 RSBOUKZJWFVNSW-KRWDZBQOSA-N 362.514 3.572 0 40 FHAB O=C(NCc1ccccc1Cl)NC1(C(F)(F)F)Oc2ccccc2O1 2649241 AYOISJACXAQNPN-UHFFFAOYSA-N 372.730 3.827 0 40 FHAB CCC(=O)N(Cc1ccccc1OC)Cc1cc2cccc(C)c2[nH]c1=O 4230931 VDUCGXIMLPHYNL-UHFFFAOYSA-N 364.445 3.784 0 40 FHAB Cc1nc(CC(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cs1 21361500 MGHLLFUTAUVQQS-AWEZNQCLSA-N 373.503 3.816 0 40 FHAB Cc1ccc(NC(=S)N2CCC(NC(=O)c3cccc(F)c3)CC2)cc1 4857514 HKNJYOLQNDGVSK-UHFFFAOYSA-N 371.481 3.725 0 40 FHAB O=C(Cc1ccc(Cl)cc1)NC(=S)NC12CC3CC(CC(C3)C1)C2 6506081 IWBLLMMDKDIOLK-UHFFFAOYSA-N 362.926 3.842 0 40 FHAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccccc2C)CC1=O 7609815 IBPDJENMCZJGIQ-CYBMUJFWSA-N 358.825 3.649 0 40 FHAB C[C@@H](O)CNc1ncnc2cc(-c3ccc(Br)cc3)sc12 32806216 UHBAVSGHZSCYRW-SECBINFHSA-N 364.268 3.914 0 40 FHAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(N2CCCC2=O)c1 7919572 QKOGVQPFQKMDHO-UHFFFAOYSA-N 364.323 3.964 0 40 FHAB CCC[C@H](c1nnnn1C(C)(C)C)N1CCN(c2cc(C)ccc2C)CC1 57669674 MOGZKOFSCMJTOA-GOSISDBHSA-N 370.545 3.708 0 40 FHAB Cc1cccc(NC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)c1 59133895 HIBWUCCEKOURDH-UHFFFAOYSA-N 353.443 3.951 0 40 FHAB CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1c(C)cc(C)cc1C 10544198 LAAWTQWCUMQMCT-GOSISDBHSA-N 352.544 3.545 0 40 FHAB O=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cccs1 8015999 AZRQRAGEMAHXHG-UHFFFAOYSA-N 362.882 3.713 0 40 FHAB O=C(CN(C1=NCCCS1)c1ccccc1)c1ccc2c(c1)OCCO2 8436124 PUXYIGSSENBUGR-UHFFFAOYSA-N 368.458 3.640 0 40 FHAB COc1ccc2c(c1)CCCN2C(=O)c1ccccc1OC[C@H]1CCCO1 21975843 FVCQXUHQDVAWQI-GOSISDBHSA-N 367.445 3.846 0 40 FHAB Cc1nn(C(=O)Cc2ccc(Br)cc2)c(C)c1Br 2763794 CKPIXFZWONVIBO-UHFFFAOYSA-N 372.060 3.908 0 40 FHAB Cc1ccc(N(Cc2ccco2)C(=O)Cn2c(=O)cnc3ccccc32)cc1 23270913 LSLAZLFZTLHCTK-UHFFFAOYSA-N 373.412 3.531 0 40 FHAB Cn1cc(CCC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)cn1 55418113 HRPXXPBTIUKQFR-FQEVSTJZSA-N 353.853 3.912 0 40 FHAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@@H](C)N1CCC(C)CC1 60156550 GEEMQXNVIMZTFZ-OAHLLOKOSA-N 374.916 3.684 0 40 FHAB CCCN(C(=O)c1cc2ccccc2c(=O)[nH]1)[C@H]1CCc2ccccc2C1 56351607 HTYPLCZYRUWWAP-IBGZPJMESA-N 360.457 3.938 0 40 FHAB OC1=C2C(=Nc3nonc3N[C@H]2c2ccc(O)cc2)C[C@H](c2ccco2)C1 102751564 PMDCRLRZLHARNO-GTNSWQLSSA-N 364.361 3.997 0 40 FHAB Fc1ccc(-c2nnc(SC[C@H]3CCCO3)n2C[C@@H]2CCCO2)cc1 44171767 ZXXDLBLSOZSJOJ-JKSUJKDBSA-N 363.458 3.534 0 40 FHAB O=C(Cc1ccc(Cl)c(Cl)c1)OCC(=O)N1CCc2ccccc21 3238668 WNPYQXNCPYWMEM-UHFFFAOYSA-N 364.228 3.668 0 40 FHAB CN(C(=O)COC(=O)c1cc(Cl)cc(Cl)c1N)C1CCCCC1 3250445 WVBHKDADGHHWGB-UHFFFAOYSA-N 359.253 3.524 0 40 FHAB CCCN(CC)c1ccc(C(=O)Nc2cccc(C(=O)NC)c2C)cc1 58032041 DJVWIMRUIWSKOP-UHFFFAOYSA-N 353.466 3.843 0 40 FHAB O=C(COC(=O)c1ccccc1Cl)Nc1ncc(Cl)cc1Cl 3254801 CNANBTOFLSTGGB-UHFFFAOYSA-N 359.596 3.837 0 40 FHAB O=C(NCc1ccc2c(c1)OCO2)c1cccnc1Nc1cccc(F)c1 44819041 LBINWGZHVSOIQG-UHFFFAOYSA-N 365.364 3.623 0 40 FHAB CC[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(OC)cc1Cl 27588358 YRYYCCIGTYHALT-JTQLQIEISA-N 352.283 3.955 0 40 FHAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3onc4c3C[C@@H](C)CC4)oc2c1 27748356 FRXNCFUUJHKXRW-JTQLQIEISA-N 352.390 3.775 0 40 FHAB NC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 10384018 KKOOGKPIFFBKTN-HNNXBMFYSA-N 366.446 3.764 0 40 FHAB Cc1cc([C@H](C)NC(=O)[C@@H](CC(C)C)N2CCCCC2=O)c(C)s1 79069430 WUVCUIQVMSZOAD-WMLDXEAASA-N 350.528 3.969 0 40 FHAB COc1ccc(OC)c(C(=O)COC(=O)Cc2cccc3ccccc23)c1 3320545 HGJTZOVGDHIJGU-UHFFFAOYSA-N 364.397 3.826 0 40 FHAB O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC1CCCC1 12750012 JDRKZGMLPBKWNQ-UHFFFAOYSA-N 350.871 3.977 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(OC(C)C)cc1 113950857 QIASLAYKFZSCNE-HXUWFJFHSA-N 357.450 3.956 0 40 FHAB O=C(CSc1ncnc2c1oc1ccccc12)Nc1ccc(O)cc1 2420751 INPWFAUFFUSKHY-UHFFFAOYSA-N 351.387 3.812 0 40 FHAB CC(C)OC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 2450988 SLYUYCCCUIXNGG-UHFFFAOYSA-N 353.447 3.978 0 40 FHAB Cc1ccc(SCC(=O)N(C)Cc2ccccc2N2CCOCC2)cc1 48340051 JULVIBSHNNCJJF-UHFFFAOYSA-N 370.518 3.582 0 40 FHAB O=C(CSc1nncn1-c1ccccc1)c1ccc(OC(F)F)cc1 3453063 OUDXHKIEHVFRDR-UHFFFAOYSA-N 361.373 3.844 0 40 FHAB CSc1ccc(Cl)c(C(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 27924395 KQWGPKWVYOLIDR-UHFFFAOYSA-N 366.895 3.963 0 40 FHAB CN(Cc1ccccc1)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O 13061723 KJJSMZCNCSAUSV-UHFFFAOYSA-N 357.498 3.603 0 40 FHAB C[C@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(Cl)cc1 17958986 JFQUNVJAJHKNTN-JTQLQIEISA-N 373.808 3.827 0 40 FHAB Cc1cc(C)n(-c2nc3ccc(Cl)cc3nc2-n2nc(C)cc2C)n1 18199131 IPOOXLZDAFCNJU-UHFFFAOYSA-N 352.829 3.888 0 40 FHAB Cc1nc2c(n1C(C)C)CN(Cc1cccs1)CC21CCN(C)CC1 306134405 NMGZSJSJSAQZCJ-UHFFFAOYSA-N 358.555 3.813 0 40 FHAB Cc1ccc(C(=O)C2CCN(C(=O)COc3ccccc3)CC2)c(C)c1 24451614 RNOWHCOYSMDRRI-UHFFFAOYSA-N 351.446 3.804 0 40 FHAB Cc1cc(C)c(C(=O)Cn2cnc3sc4c(c3c2=O)CCC4)cc1C 6111522 UQMFIIUCHUPETQ-UHFFFAOYSA-N 352.459 3.755 0 40 FHAB CCn1c(SCc2cn3c(C)cc(C)nc3n2)nnc1-c1ccco1 8725620 RYESBRKWYXIIPD-UHFFFAOYSA-N 354.439 3.510 0 40 FHAB NC(=O)c1ccc(OCC(=O)N(c2ccccc2)C2CCCCC2)cc1 6290022 AUGBHKCGSJPWSE-UHFFFAOYSA-N 352.434 3.530 0 40 FHAB CCc1ccccc1Nc1nnc(S[C@H](C)C(=O)N2CCCC2)s1 14094888 DGDQUQLAZITETR-GFCCVEGCSA-N 362.524 3.947 0 40 FHAB CC(C)COc1nc(-c2ccccc2)nc2c1CCN(C(=O)C1CC1)CC2 306143662 YIHPYZTVEPLYME-UHFFFAOYSA-N 365.477 3.516 0 40 FHAB CC(=O)Nc1ccc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1 14141400 VEVIVAGENRPIKG-ZDUSSCGKSA-N 372.494 3.586 0 40 FHAB O=C(NCCCN1CCCCC1)c1ccc(C2SCCS2)cc1 14183275 DABIDZPUIJEYNI-UHFFFAOYSA-N 350.553 3.771 0 40 FHAB Cc1cc(C)n(-c2ccc(NC(=O)c3c(O)cc(F)cc3F)cc2F)n1 66047914 VWXFPILJRCBYAK-UHFFFAOYSA-N 361.323 3.864 0 40 FHAB CCCCn1nc(C(=O)Nc2nc3c(C)cc(C)cc3s2)ccc1=O 6625875 GWEQKBGMWIMBAP-UHFFFAOYSA-N 356.451 3.522 0 40 FHAB CC[C@]1(C)Cc2nc3[nH]c(=S)n(Cc4ccccc4)c(=O)c3cc2CO1 5675659 WATYQPWIZDTVPG-HXUWFJFHSA-N 367.474 3.744 0 40 FHAB COc1ccc(C)cc1NC(=O)COc1cccc(Br)c1 5750547 BERWZAHWKZSFOL-UHFFFAOYSA-N 350.212 3.784 0 40 FHAB Cc1ccc(C(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)cc1 4922074 LGHIMCHJGJWTOK-UHFFFAOYSA-N 366.442 3.592 0 40 FHAB CCOC(=O)c1ccc(C(F)(F)F)n(Cc2ccc(Cl)cc2)c1=O 5953257 YVIGWJIJHAQBFB-UHFFFAOYSA-N 359.731 3.746 0 40 FHAB CN(C)c1ccc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)cc1 7041670 IEWOPFFGKDWXCK-UHFFFAOYSA-N 357.797 3.813 0 40 FHAB O=C(NCc1ccncc1)c1cn(-c2ccccc2)nc1-c1ccccc1 9322659 JXUUOMRBLVQYSN-UHFFFAOYSA-N 354.413 3.864 0 40 FHAB C[C@H](NC(=O)c1ccccc1I)c1ccc(F)cc1 15648958 NFIFFLLFOLVKPW-JTQLQIEISA-N 369.177 3.921 0 40 FHAB Cc1cc(C)c2oc(C(=O)Nc3ccc4nsnc4c3)cc(=O)c2c1 15841376 ASMXYUZQKPHRDF-UHFFFAOYSA-N 351.387 3.667 0 40 FHAB O=C(Cc1noc2ccccc12)OCc1cc(Cl)c2c(c1)OCCCO2 7865760 JRQZOBZCSOHWAR-UHFFFAOYSA-N 373.792 3.928 0 40 FHAB Cc1ccc(S(=O)(=O)CCC(=O)N[C@H](C)c2cccc(Cl)c2)cc1 8033920 FXROQWYLXSMFNS-CQSZACIVSA-N 365.882 3.690 0 40 FHAB CC(C)[C@@H](NCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 8003445 OAGPCIIKWHOCFZ-JOCHJYFZSA-N 365.477 3.739 0 40 FHAB O=C(CSc1ncnc2ccccc12)Nc1ccnn1C1CCCC1 8071362 DGVRIWSKPUPMTQ-UHFFFAOYSA-N 353.451 3.672 0 40 FHAB CCc1noc(C)c1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 8245538 INQZSTWMYDWNIQ-UHFFFAOYSA-N 365.437 3.783 0 40 FHAB O=C(c1ccc(Br)o1)N1CCC[C@H]1c1nc2ccccc2[nH]1 9421347 KJIQFFZWPDYPCX-LBPRGKRZSA-N 360.211 3.896 0 40 FHAB Cc1ccc(OCC(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)cc1 9420223 ORMVMKZBZUQQEH-UHFFFAOYSA-N 363.417 3.941 0 40 FHAB CC(=O)NCc1ccc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1 9478827 IPRYARMGEKUJCD-GFCCVEGCSA-N 364.367 3.833 0 40 FHAB COc1ccc(Cc2noc(C3(c4ccccc4)CCOCC3)n2)cc1 71890049 WEZZJLKHMJXNJU-UHFFFAOYSA-N 350.418 3.766 0 40 FHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2c(O)cc(F)cc2F)c1 83925545 BAUUFCMUHKVVCJ-HNNXBMFYSA-N 363.360 3.665 0 40 FHAB Cc1ccc(S(=O)(=O)NCCSCc2c(F)cccc2Cl)cc1 409028729 RDSXHCIRGPOQAM-UHFFFAOYSA-N 373.902 3.999 0 40 FHAB CC(=O)N1CCC(CCC(=O)Nc2ccc(-c3ccccc3)cn2)CC1 79676266 TYTWNQQEGAXNFM-UHFFFAOYSA-N 351.450 3.726 0 40 FHAB C[S@@](=O)c1c(Cl)cccc1NC(=O)NCCCOC1CCCC1 72309777 WFCSBFMXOKMCBC-QHCPKHFHSA-N 358.891 3.548 0 40 FHAB Cn1c(C(=O)OCCc2c[nH]nc2C(F)(F)F)c(Cl)c2ccccc21 84311360 VXGOMSWHTATTNA-UHFFFAOYSA-N 371.746 3.973 0 40 FHAB CC(C)NC(=O)c1ccc(Sc2ccccc2Br)nn1 74727311 AMIIPCYWOUCJQR-UHFFFAOYSA-N 352.257 3.529 0 40 FHAB O=C(C[C@]1(O)C(=O)N(Cc2cccs2)c2ccccc21)c1ccccc1 9925973 IXOGBNIUIYGMME-OAQYLSRUSA-N 363.438 3.756 0 40 FHAB C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)Nc2cccc(Cn3cccn3)c2)C1 75094200 LOKKJESCSAGKEY-HRAATJIYSA-N 370.497 3.630 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@@H]3CCCC[C@H]3O)cc12 89568274 CXTKCMVMSVIXIS-HZPDHXFCSA-N 373.453 3.568 0 40 FHAB CNC(=O)c1ccc(NC(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)cc1 39969257 FKFDMGORKGCNIN-CQSZACIVSA-N 362.429 3.950 0 40 FHAB NC(=O)/C=C\c1cc(Cl)c(OCc2cccnc2)c(Br)c1 409416139 NZTZFJBDWOTTOT-ARJAWSKDSA-N 367.630 3.575 0 40 FHAB COc1ccc(-c2csc(CNC(=O)Cc3ccc(F)cc3)n2)cc1 72264937 PDGLIOZUNYGQKR-UHFFFAOYSA-N 356.422 3.817 0 40 FHAB Nc1nnc(-c2ccc(OCc3cccc(F)c3)c(Br)c2)o1 216816687 FZUFSDGNEWLYLJ-UHFFFAOYSA-N 364.174 3.799 0 40 FHAB Cc1cc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)on1 32879894 PBQXFHQLKWRJRU-UHFFFAOYSA-N 370.792 3.885 0 40 FHAB O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)Nc1ccccc1Cl 70636612 AJIVUTWEFOEZGW-OAHLLOKOSA-N 358.747 3.912 0 40 FHAB Cc1cc2nc([C@H]3CCCN(CC[C@@H](C)c4ccc(C)o4)C3)cc(N)n2n1 36719061 YBOGQKCZIQEJOG-PBHICJAKSA-N 367.497 3.895 0 40 FHAB CC(C)NC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccco2)C12CCCC2 71281746 FLPXXBYKKLEZFL-IBGZPJMESA-N 366.461 3.857 0 40 FHAB CC(C)Oc1cccc(CNC(=O)c2ccc(N3CCCC3=O)cc2)c1 46655329 DQVLHICRSOQLJG-UHFFFAOYSA-N 352.434 3.531 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 223681643 UGUAORZOPVLPIM-INIZCTEOSA-N 372.896 3.744 0 40 FHAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2C[C@@H]2CCCO2)S1 222602432 DQVOFCNTHZRMDZ-OHQAAIJDSA-N 368.506 3.651 0 40 FHAB COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(OC)cc2)c1C 225464132 ORIVCRBXROQFMZ-ZDUSSCGKSA-N 358.463 3.838 0 40 FHAB Cc1noc([C@@H]2CCCN([C@@H](C(=O)O)c3cccc(Cl)c3Cl)C2)n1 570730131 PKLNMNVANBMOIC-QMTHXVAHSA-N 370.236 3.690 0 40 FHAB CC(C)(C)c1ccc(OCCNS(=O)(=O)c2ccc(Cl)cc2)cc1 223974525 MTTRKPZAYWGWMM-UHFFFAOYSA-N 367.898 3.995 0 40 FHAB O=C(/C=C/c1ccc(OCc2ccccn2)cc1)NCCOc1ccccc1 40079535 NEWSNUHBSPWTIB-SDNWHVSQSA-N 374.440 3.869 0 40 FHAB O=S(=O)(c1ccc(F)cc1)n1ccc2c(Br)cccc21 228962925 UHYVGEPQSWRSBK-UHFFFAOYSA-N 354.200 3.780 0 40 FHAB Cc1ccc(C(=O)NC[C@H](c2ccc(C(C)C)cc2)N2CCOCC2)cc1 41156435 NMMLWBNNBRHNOM-JOCHJYFZSA-N 366.505 3.922 0 40 FHAB CC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCC(C)C)c1ccccc1 223471069 JGVDOPYAXMTCNZ-HXUWFJFHSA-N 356.441 3.688 0 40 FHAB Cc1cccc(CNC(=O)/C(=C/c2ccco2)NC(=O)c2cccc(C)c2)c1 222930265 MKIKXBNPHOLGTE-STZFKDTASA-N 374.440 3.984 0 40 FHAB Cn1cc(CN2CCC(c3nc4ccc(-c5ccccc5)cn4n3)CC2)cn1 96038171 ILYGEHSUXHKFMA-UHFFFAOYSA-N 372.476 3.509 0 40 FHAB Cc1ccc(C)c([C@H]2CCCN2S(=O)(=O)CCc2scnc2C)c1 333274595 DCOCGJNEGLJLAV-QGZVFWFLSA-N 364.536 3.778 0 40 FHAB CC[C@H](C)[C@H](CO)NC(=O)c1sc(-c2ccc(Cl)cc2)nc1C 98031707 PLSXKYUPFHUZRC-HZMBPMFUSA-N 352.887 3.909 0 40 FHAB Clc1ccc(CN2CC[C@@H](Oc3cccnc3N3CCCC3)C2)cc1 581337160 XTQWHINZSFUTIH-GOSISDBHSA-N 357.885 3.989 0 40 FHAB O=C(O)c1csc(CN2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 581732027 ZVINMCRDTRMKSP-SNVBAGLBSA-N 373.261 3.801 0 40 FHAB CC(C)n1ccc2c(NC(=O)C3(n4cnnn4)CCCCC3)cccc21 95478681 JKJQMIJFDVKZGC-UHFFFAOYSA-N 352.442 3.507 0 40 FHAB Cn1ccc(CCC(=O)N2CCCN(Cc3ccccc3)c3ccccc32)n1 585085741 KDLOWMZZMXZXJG-UHFFFAOYSA-N 374.488 3.796 0 40 FHAB CO[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccsc2)c2nccs2)CC1 257233571 GPTWDJIKKVDLME-RBSFLKMASA-N 350.509 3.810 0 40 FHAB C[C@@H]1COC(=O)N1c1cccc(C2CCN(C(=O)OC(C)(C)C)CC2)n1 257214520 CMIHCPPLENOHOL-CYBMUJFWSA-N 361.442 3.541 0 40 FHAB Cc1nc(CN2CCOC[C@@H](Cc3ccc4ncccc4c3)C2)cs1 257260265 LCBOWOBQBYFLCZ-KRWDZBQOSA-N 353.491 3.691 0 40 FHAB O=C(O)Cc1cccc(NC(=O)[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 1615051666 MYWOFJLGWXXOQR-FUHWJXTLSA-N 359.809 3.683 0 40 FHAB O=C(N[C@@H]1CCCCC12CCCC2)c1nc(N2CCCC2)ncc1Cl 643312433 CTOVDIPGUHTNSH-OAHLLOKOSA-N 362.905 3.963 0 40 FHAB O=C(Nc1cccc2cccnc12)[C@@H]1CCCN(c2ccc(C3CC3)nn2)C1 827736213 AALHPKDLFSBPFS-QGZVFWFLSA-N 373.460 3.757 0 40 FHAB CN(CCCCc1ccccc1)C(=O)c1ccc(C(F)(F)F)nc1O 58213355 KUZCQXCTPHFCKL-UHFFFAOYSA-N 352.356 3.901 0 40 FHAB Cc1cc(C)cc(NC(=O)CSc2nc(CNc3ccccc3)n[nH]2)c1 5448072 RTYQLXQXKOQUPN-UHFFFAOYSA-N 367.478 3.764 0 40 FHAB COc1ccc(C2=Nc3ccc(C)cc3C(c3ccncc3)=NN2)cc1OC 5750720 SAKDNOGIDCRHTD-UHFFFAOYSA-N 372.428 3.841 0 40 FHAB COc1ccc(-c2nnc(Br)s2)cc1Br 11920542 LLNAHWWAIPHHHX-UHFFFAOYSA-N 350.035 3.739 0 40 FHAB CCn1nc(C)c(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1C 12221297 BTCFQMBIPZQEKK-LJQANCHMSA-N 365.481 3.692 0 40 FHAB Cc1[nH]c2ccccc2c1[C@H](C(=O)O)N1CCN(c2ccc(F)cc2)CC1 12323189 GNCMVLXWNJGCCS-HXUWFJFHSA-N 367.424 3.563 0 40 FHAB Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1 12329442 IPODWICUONHWCC-SFTDATJTSA-N 367.489 3.688 0 40 FHAB Cc1cccc(C)c1NC(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1 12977013 CPSPJXZVRCDGPL-SFHVURJKSA-N 365.477 3.593 0 40 FHAB COc1cccc(CCCNS(=O)(=O)c2ccc3ccccc3c2)c1 13671105 JJMHKJNOASVLLI-UHFFFAOYSA-N 355.459 3.760 0 40 FHAB CCN1CCC[C@H]1CNCc1cccc(OC)c1OCc1ccccc1F 19367016 VWZSBFYGZBKDQS-IBGZPJMESA-N 372.484 3.987 0 40 FHAB O=C(NC1CCN(CC2(c3ccccc3)CC2)CC1)c1cc(F)cc(F)c1 19369717 JZDLRJUJKDCBRK-UHFFFAOYSA-N 370.443 3.891 0 40 FHAB Cc1noc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)Cc2ccccc2)c1C 19558044 AOAWXTLHNWBFSP-KRWDZBQOSA-N 350.422 3.588 0 40 FHAB O=C1O[C@H](c2nn(-c3ccccc3)c(=O)c3ccccc23)c2ccccc21 3845515 VODMQULNJKORTP-FQEVSTJZSA-N 354.365 3.646 0 40 FHAB biogenic Cc1cccnc1CN1CC[C@@H]2O[C@@](C)(COc3ccccc3)C[C@@H]2C1 643914088 KRHPMYUQEUWGJR-BVYCBKJFSA-N 352.478 3.839 0 40 FHAB CN(c1ncccc1C(F)(F)F)[C@@H]1CCCN(C(=O)c2cccs2)C1 1889139102 JTXCERQKSGATLZ-GFCCVEGCSA-N 369.412 3.903 0 40 FHAB COc1ccc(Cl)cc1C(=O)N1[C@H]2CC[C@H]1CC(n1cc(C)cn1)C2 1889139497 APELQKZFSUTVQM-GJZGRUSLSA-N 359.857 3.862 0 40 FHAB CC(=O)N(c1nnc(SCCOc2cc(C)cc(C)c2)s1)C1CC1 25362797 WWOQANCRRLWAER-UHFFFAOYSA-N 363.508 3.841 0 40 FHAB COc1cccc([C@@H](NC(=O)[C@H]2CC23CCOCC3)c2ccccc2)c1 1179321184 SCUGBDGEVACYCH-UXHICEINSA-N 351.446 3.718 0 40 FHAB CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3ccc(F)cc3F)oc2c1 1514157 QKMPQOLPSQKKFV-GFMRDNFCSA-N 371.387 3.889 0 40 FHAB Cc1ccc(CSC2=NCCN2C(=O)[C@@H](C)Oc2ccccc2)cc1 4120398 NRYWBAAKYLVJRQ-MRXNPFEDSA-N 354.475 3.894 0 40 FHAB O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCc2ccccc21 7574197 ZYKHREYNLDYPTQ-UHFFFAOYSA-N 364.832 3.753 0 40 FHAB O=c1[nH]c(SCc2ccc(F)cc2)nc2c1cnn2-c1ccc(F)cc1 8586399 NSCIFUGELZRSPZ-UHFFFAOYSA-N 370.384 3.679 0 40 FHAB Cc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(c2ccc(Cl)cc2)C3)cc1 15081235 ZQUXIGGXZYJZEZ-GOSISDBHSA-N 367.836 3.645 0 40 FHAB COc1ccc(CN2C(=S)N[C@H]3C[C@@]2(C)Oc2c(OC)cccc23)cc1 101184776 MSJOYHFZLFADIA-OXJNMPFZSA-N 370.474 3.634 0 40 FHAB COc1ccc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)cn1 40119735 NXHWPBYAPXHEJH-UHFFFAOYSA-N 370.840 3.727 0 40 FHAB O=C(NCc1nc2ccccc2s1)Nc1ccccc1N1CCCC1=O 40104192 WLIMFTPVGWITJM-UHFFFAOYSA-N 366.446 3.745 0 40 FHAB C[C@H](NC(=O)c1cccnc1N1CCCC1)c1cccc(Br)c1 30465666 FAZHFSOAJNOSOG-ZDUSSCGKSA-N 374.282 3.935 0 40 FHAB CCOc1ccc(-c2nnc(SCc3c(F)cccc3F)n2N)cc1 2265918 WABABNPEAMLWQI-UHFFFAOYSA-N 362.405 3.628 0 40 FHAB CC(C)N(C(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1 3287556 ILUVGUOANALPNV-UHFFFAOYSA-N 350.418 3.504 0 40 FHAB Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)N(C)C1CCCCC1 32707921 RKIUMBYNRAVYHH-OAHLLOKOSA-N 370.449 3.986 0 40 FHAB c1ccc(C2=C(c3ccccn3)N=c3ccccc3=c3ccccc3=N2)nc1 4900592 NVNREOCINZJGEG-UHFFFAOYSA-N 360.420 3.542 0 40 FHAB C[C@]12CC[C@H]3c4ccc(OP(=O)(O)O)cc4CC[C@@H]3[C@@H]1CCC2=O 6519453 XYNRXDLLYXFCRS-OVWQWFNUSA-N 350.351 3.583 0 40 FHAB in-vitro CCOc1cc(NC(=O)c2ccccc2SC)c(C(=O)O)cc1OC 6588606 UODFQCCMWQJULS-UHFFFAOYSA-N 361.419 3.766 0 40 FHAB Cc1nc(SCC(=O)N2CCC(c3ccccc3)=N2)c2ccccc2n1 6880507 LKBDFMRCKZIEQW-UHFFFAOYSA-N 362.458 3.667 0 40 FHAB CCOC(=O)c1oc2ccccc2c1COC(=O)c1ccc2c(c1)OCO2 7415797 WKMCMBLVTFCMTD-UHFFFAOYSA-N 368.341 3.695 0 40 FHAB COc1ccc2cc(CN(C)CC(=O)NCc3ccc(F)cc3)ccc2c1 7926655 NDKPQYZWEAKDIO-UHFFFAOYSA-N 366.436 3.736 0 40 FHAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)C1(C)C 32888985 OHZQFKZWNQQQDQ-IAGOWNOFSA-N 351.454 3.852 0 40 FHAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(O)CC2)cc1Cl 57405961 NDBFHRYKGXIGFW-IBGZPJMESA-N 358.869 3.785 0 40 FHAB CCCCCc1nnc(NC(=O)c2cncc(Br)c2)s1 20885988 UOLIYMJICINMOC-UHFFFAOYSA-N 355.261 3.681 0 40 FHAB COc1cc(NC(=O)c2cc3ccccc3c(=O)o2)c(OC)cc1Cl 669414 FJEVECZQTYJZMN-UHFFFAOYSA-N 359.765 3.716 0 40 FHAB CC1=C(C)C[C@@H](C(=O)Nc2cccc(Br)c2)[C@@H](C(=O)O)C1 2801794 MKGJJHCGSSYNHZ-KGLIPLIRSA-N 352.228 3.835 0 40 FHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(C)oc3C)n2)cc1 12387924 AUEVIWXYEKOPEC-UHFFFAOYSA-N 369.446 3.908 0 40 FHAB O=C(c1ccccc1)N1C[C@H](COc2ccccc2)O[C@H](c2ccoc2)O1 710005 WFIDAVWEPLDZFJ-CTNGQTDRSA-N 365.385 3.830 0 40 FHAB O=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1cc2cc(Cl)ccc2[nH]1 54295509 DOEONTGNFYNGON-CQSZACIVSA-N 374.853 3.521 0 40 FHAB CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 1016173 XXYAECRMLRHHIL-CYBMUJFWSA-N 358.825 3.730 0 40 FHAB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(OC(=O)c4cccs4)cc3)C(=O)[C@@H]2C1 102089011 PUYWDVRKABOJRN-UHOFOFEASA-N 369.442 3.893 0 40 FHAB CCCc1ccccc1NC(=O)CS(=O)(=O)c1ccc(Cl)cc1 24503798 BWWAKWJDLFNMBW-UHFFFAOYSA-N 351.855 3.705 0 40 FHAB Cc1ccc(C)c(-c2csc(NC(=O)CCCCCNC(N)=O)n2)c1 24925187 SYNWTVMCJMRPNY-UHFFFAOYSA-N 360.483 3.594 0 40 FHAB Cc1ccc(CCC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1 12531822 BYBLRIDPLAYFOQ-HXUWFJFHSA-N 351.425 3.706 0 40 FHAB CC[C@@H](Sc1nnc2[nH]c3ccccc3n12)C(=O)Nc1ccc(F)cc1 12533044 PYNLUGSERHMYOV-OAHLLOKOSA-N 369.425 3.859 0 40 FHAB C[C@@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1ccc(Br)cc1 22234036 NBUCMGVUROEPMN-LLVKDONJSA-N 371.234 3.782 0 40 FHAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2cccnc2N2CCCC2)cc1 25605146 CLYDNDJUVFUCBF-OAHLLOKOSA-N 368.433 3.509 0 40 FHAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)C1 17073700 MXMJXVPQRCZEFW-USTZCAOPSA-N 356.510 3.923 0 40 FHAB O=C(CN1C(=O)CSc2ccccc21)NCc1csc2ccccc12 57836139 OKPUYCBIQWIJTK-UHFFFAOYSA-N 368.483 3.656 0 40 FHAB Cc1ccc(NC(=O)CN2CCC(OCc3ccccc3)CC2)c(F)c1 12684639 XTUXNDCEIWMPKJ-UHFFFAOYSA-N 356.441 3.754 0 40 FHAB O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1C(F)(F)F)c1ccco1 58166401 HUCJNFFJGOUTQM-CYBMUJFWSA-N 368.311 3.668 0 40 FHAB Cc1ccccc1CC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 12628409 HKZMFWDPORGJKS-LJQANCHMSA-N 353.853 3.830 0 40 FHAB Cc1cc(C)c2c3c(sc2n1)C(=O)N(Cc1ccccc1)CC(=O)N3 2387355 XKQKNYRZRUYWPI-UHFFFAOYSA-N 351.431 3.508 0 40 FHAB CCCNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 2303217 KLDAYHLQEHJNRF-OCCSQVGLSA-N 352.360 3.683 0 40 FHAB COc1ccccc1CC(=O)Nc1cccc(NC(=O)c2ccco2)c1 11180460 DOAXVKSCIBNPTG-UHFFFAOYSA-N 350.374 3.722 0 40 FHAB COc1ccc(C(=O)Nc2ncc3c(n2)C[C@H](c2ccccc2)CC3=O)cc1 2422626 RZUMIPFQGJEFRV-INIZCTEOSA-N 373.412 3.650 0 40 FHAB CSc1nc(N2CCCCC2)c2cc(C(=O)NCC(C)C)sc2n1 408618313 GHIVNXNRVGEZGG-UHFFFAOYSA-N 364.540 3.789 0 40 FHAB O=C(Nc1ccccc1CN1C(=O)CCC1=O)NC1CCCCCCC1 63288139 SCAPLKRWZKCOTD-UHFFFAOYSA-N 357.454 3.570 0 40 FHAB CCCOc1ccc(NC(=O)CCC(=O)N2CCc3ccccc32)cc1 4013298 OFOORQKFAYXIPW-UHFFFAOYSA-N 352.434 3.783 0 40 FHAB O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc2c(c1)OCCCO2 9218036 FYKZHZNJUBXUTQ-UHFFFAOYSA-N 371.418 3.531 0 40 FHAB O=c1/c(=C/c2ccc(-c3ccccc3)o2)sc2nc(-c3ccccc3)nn12 5013273 JUAFSDYFRCHUPY-AQTBWJFISA-N 371.421 3.626 0 40 FHAB O=C(Nc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6147158 HUESJLIKUQCQAN-UHFFFAOYSA-N 370.405 3.879 0 40 FHAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@H](C)N1CCC(C)CC1 60156551 GEEMQXNVIMZTFZ-HNNXBMFYSA-N 374.916 3.684 0 40 FHAB COc1cc(NC(=O)c2ccc3c(c2)OCCCO3)c(OC)cc1Cl 8751703 AMYOJEFRDLYPEJ-UHFFFAOYSA-N 363.797 3.771 0 40 FHAB COc1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)n[nH]1 5209845 AOOVFUZIGJLBBE-LBPRGKRZSA-N 354.435 3.600 0 40 FHAB CN(CC(=O)c1c[nH]c2ccccc12)Cc1cnn(Cc2ccccc2)c1 14019739 DCSBJFBHYQCSCW-UHFFFAOYSA-N 358.445 3.727 0 40 FHAB CCOc1ccc(-c2nc(CSc3nnnn3C3CC3)cs2)cc1 14139205 ICAPODICEHBZSJ-UHFFFAOYSA-N 359.480 3.823 0 40 FHAB CCN1C(=O)S/C(=C/c2cc(Br)cc(OC)c2OC)C1=O 409070798 GWMPKOXWHYILDS-IZZDOVSWSA-N 372.240 3.523 0 40 FHAB CCOC(=O)C1CCN(C(=O)c2csc(Nc3ccc(C)cc3)n2)CC1 4675609 QIHKMDVYHNYTEV-UHFFFAOYSA-N 373.478 3.610 0 40 FHAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)NC[C@@H]3CCCO3)sc2n1 6780473 UGFKDEQCTZIBTF-AWEZNQCLSA-N 355.463 3.613 0 40 FHAB CN1CCC2(CC1)Oc1ccccc1[C@@H]1[C@@H]3CCc4ccccc4C3=NN12 4812631 COBOEWUKKRMQNZ-DENIHFKCSA-N 359.473 3.824 0 40 FHAB COc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1-n1cccc1 6807040 NDRROSNTVLOFHY-UHFFFAOYSA-N 358.401 3.924 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2nc(SCC)ncc2Cl)cc1 6810454 SFGXCQILTBFEQY-UHFFFAOYSA-N 365.842 3.671 0 40 FHAB Cc1ccccc1N1CCN(CC(=O)c2ccc(Br)cc2)CC1 67206438 UGRPQDAOHOLUCD-UHFFFAOYSA-N 373.294 3.762 0 40 FHAB Cc1ccc(-c2nnc([C@H](C)Sc3nc4nc(C)cc(C)n4n3)o2)cc1 7083073 ATKTZGUOUAMRLL-ZDUSSCGKSA-N 366.450 3.953 0 40 FHAB Cc1cc2occ(CC(=O)NC[C@H]3COc4ccccc4O3)c2cc1C 7060320 VRPBVUMWZASNQT-INIZCTEOSA-N 351.402 3.548 0 40 FHAB CCC[C@@H](C)NC(=O)COc1ccc(NC(=O)c2ccccc2OC)cc1 7191786 QUBARWSGMPFBBK-OAHLLOKOSA-N 370.449 3.631 0 40 FHAB C[C@@H](NC(=O)Nc1nnc(C(F)F)s1)c1ccc2c(c1)OCCCO2 67586534 BAIIPGYFGYDVDH-MRVPVSSYSA-N 370.381 3.520 0 40 FHAB COc1ccc(C(C)=O)cc1CSCC(=O)NCc1ccc(F)cc1 7525896 WRZBEYWIMLFMQR-UHFFFAOYSA-N 361.438 3.587 0 40 FHAB C[C@@H]1c2ccsc2CCN1CC(=O)NCCc1c[nH]c2ccccc12 7879113 VCKXISJARKRPLR-CQSZACIVSA-N 353.491 3.507 0 40 FHAB COC(=O)COc1ccccc1[C@H]1CC(O)=Nc2c1cnn2C1CCCC1 71279285 DMOVFMJCUOROLW-OAHLLOKOSA-N 369.421 3.674 0 40 FHAB Cc1cc(C)n2cc(COc3ccc(Br)cc3F)nc2n1 8136063 DIRLSYVHLUSDDO-UHFFFAOYSA-N 350.191 3.827 0 40 FHAB CCCn1c(SCC(=O)Nc2ccc(C)cc2)nc2ccccc2c1=O 8195331 FKWXNNYLTAIQTK-UHFFFAOYSA-N 367.474 3.846 0 40 FHAB COC(=O)c1cccc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c1 9390134 BBNNSAUCCLNAJV-UHFFFAOYSA-N 372.808 3.506 0 40 FHAB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1F 9725403 OXRILPJMNPWHNF-NSHDSACASA-N 352.356 3.572 0 40 FHAB O=c1c(-c2nc(-c3ccsc3)no2)cccn1Cc1ccc(F)cc1F 77200496 RESNQIMDHFYFOD-UHFFFAOYSA-N 371.368 3.953 0 40 FHAB O=C(Nc1nc(-c2c(F)cccc2F)cs1)[C@@H]1COc2ccccc2O1 84583088 ZPWGADXHZAEADS-HNNXBMFYSA-N 374.368 3.867 0 40 FHAB CN(C(=O)CSc1ccc(F)cc1F)C1(CC(=O)O)CCCCC1 95401134 BTVOCMULLFTGQG-UHFFFAOYSA-N 357.422 3.693 0 40 FHAB CC(C)[C@H]1C[C@@H](NC(=O)c2cccc(OCc3cccnc3)c2)CCO1 95459007 MLKNLGPXCBEBLK-AZUAARDMSA-N 354.450 3.594 0 40 FHAB O=C(OC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(Cl)c1F 95418618 RVJQPXBOYWEKNK-CQSZACIVSA-N 361.800 3.685 0 40 FHAB O=C(NC1CCCC1)c1ccn(COc2cccc(C(F)(F)F)c2)n1 28236997 CMBHWFRWLBNPHL-UHFFFAOYSA-N 353.344 3.611 0 40 FHAB Cc1nn(C)c(Cl)c1/C=C/C(=O)OCc1cc(-c2ccccc2)no1 22286266 DZTNMLBFRFHTHF-CMDGGOBGSA-N 357.797 3.794 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)NCCCN2CCc3ccccc32)c1C 38756985 JGWFOWGFZCLCFJ-SFHVURJKSA-N 352.478 3.640 0 40 FHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN1CCN(c2ccccc2)CC1 36047187 NGGKDTCGSHXTLI-JMJGKCIBSA-N 374.569 3.647 0 40 FHAB Cc1nn(C)cc1-c1nn2c(-c3cc(Cl)cc(Cl)c3)nnc2s1 36352702 UGFHDNIGIPOYBI-UHFFFAOYSA-N 365.249 3.869 0 40 FHAB Cc1c(NC(=O)C2(C)CCC2)nnn1Cc1ccc(C(F)(F)F)cc1 549493172 UYMRJENQVGWNNN-UHFFFAOYSA-N 352.360 3.782 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 218931561 FKUNSWOOQHQPEC-MRXNPFEDSA-N 371.477 3.955 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@H]1CSCN1C(=O)OCc1ccccc1 408736580 CYINMKGJOKBLEI-QGZVFWFLSA-N 370.474 3.954 0 40 FHAB NNc1nnc(-c2cccc(OCc3ccc(Cl)cc3Cl)c2)o1 216801775 KUYVOHDRRVBDMG-UHFFFAOYSA-N 351.193 3.908 0 40 FHAB CNc1ccc(-c2noc([C@@H]3CCCN3Cc3cccc(OC)c3)n2)cn1 35426128 KEXFDYJGYAKSRM-KRWDZBQOSA-N 365.437 3.519 0 40 FHAB biogenic,in-vitro COc1ccccc1-c1cc2c(=O)n(Cc3ccc(Cl)cc3)ccn2n1 64977356 QYQQCGLGMSGQJR-UHFFFAOYSA-N 365.820 3.873 0 40 FHAB Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 72346091 XSUJEWDBQOGYHK-INIZCTEOSA-N 368.456 3.761 0 40 FHAB CCOc1ccccc1CCCNC(=O)CSc1ccc(OC)cc1 44849384 SUDSPWFERGTWEG-UHFFFAOYSA-N 359.491 3.935 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 223045572 LYNWKSPPBWSIRZ-NRFANRHFSA-N 366.505 3.708 0 40 FHAB COC(=O)Cc1ccc(NC(=S)NCCSCc2ccccc2)cc1 225219380 PAMDHVJUMUUMNT-UHFFFAOYSA-N 374.531 3.622 0 40 FHAB CCCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1 222763954 AHVZWGUWEFQXCD-IBGZPJMESA-N 366.505 3.953 0 40 FHAB C[C@H](SCc1ccccc1)C(=O)NCCc1cnn(-c2ccccc2)c1 44414291 DCJUMCINWPKZGR-KRWDZBQOSA-N 365.502 3.853 0 40 FHAB C[C@@H](NC(=O)Nc1ccc(I)cc1)c1ccccn1 48304348 QTFDZKUQCLLRRZ-SNVBAGLBSA-N 367.190 3.569 0 40 FHAB COc1ccc(CC(=O)NCCCN2c3ccccc3C[C@@H]2C)cc1C 224793325 CKQHKCUMDSYMTB-KRWDZBQOSA-N 352.478 3.504 0 40 FHAB O=C(CCc1ccc(Cl)cc1)NCCCN1CCc2ccccc2C1 225310677 KLPPQGXUZCIITA-UHFFFAOYSA-N 356.897 3.837 0 40 FHAB COc1ccc([C@H]2CC(N)=NN2c2ccc(C(F)(F)F)cc2)cc1OC 222549617 HCMWYCNDWQRGDJ-CQSZACIVSA-N 365.355 3.946 0 40 FHAB CCO[C@](C)(C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1)C1CC1 225835735 WUQXLPDUEZKYRF-FQEVSTJZSA-N 363.454 3.652 0 40 FHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCOc1ccccc1OC 224471191 HTSFILPHYINAKS-KRWDZBQOSA-N 357.450 3.665 0 40 FHAB COCCNC(=O)c1cc(N)ccc1Nc1ccc(Cl)c(Cl)c1 225475771 DEDMYUNYFSCWMO-UHFFFAOYSA-N 354.237 3.695 0 40 FHAB CC[C@@](Br)(C(=O)c1ccc(Cl)cc1Cl)S(C)(=O)=O 96518688 YSCFBFWLMLNMSX-NSHDSACASA-N 374.083 3.722 0 40 FHAB CC(C)Oc1ncccc1NC(=O)N1CCC(Oc2ccccc2)CC1 98027158 RYYZAYSSRZPLQB-UHFFFAOYSA-N 355.438 3.944 0 40 FHAB Cc1noc(C2CCN(Cc3ccc(-c4ccccc4C(=O)O)o3)CC2)n1 257246045 ISFOWTRFMYUWSH-UHFFFAOYSA-N 367.405 3.716 0 40 FHAB Cc1ccc(C(=O)N2[C@H](c3ccccc3)C[C@@H]3[C@@H]2CCCCN3C)c(O)n1 257209617 BRDIGORZHUMEKC-SLFFLAALSA-N 365.477 3.536 0 40 FHAB CNc1cc([C@@H]2CCCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)ccn1 257244955 INLOEQPTILNQEZ-CQSZACIVSA-N 352.413 3.764 0 40 FHAB CC(C)N1CCC(c2cnc(N3CC4(CCCCC4)OC3=O)cn2)CC1 257316060 VDYKELHOGSMOPC-UHFFFAOYSA-N 358.486 3.724 0 40 FHAB COc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2cnc3n2CCC3)c1 639401240 BEFBTKYLZMKJLN-FQEVSTJZSA-N 360.417 3.609 0 40 FHAB O=C(N[C@@H](COCc1ccccc1)c1ccccc1)c1cnc2[nH]cnc2c1 677895787 VEBWKZYARDROJW-FQEVSTJZSA-N 372.428 3.646 0 40 FHAB CCc1ccc([C@@H]2CCCCCN2C(=O)c2cnc(SC)nc2O)o1 1293718146 ONQSHFGRQLNVIX-AWEZNQCLSA-N 361.467 3.817 0 40 FHAB COC(=O)[C@@H]1CCN(C(=O)c2ccccc2C(F)(F)F)[C@H]2CCCC[C@@H]21 598866373 JQRCHUZJBODTKZ-IOASZLSFSA-N 369.383 3.899 0 40 FHAB O=C(NCc1nc(-c2ccccc2F)cs1)c1onc2c1CCCC2 614140085 RVKOEMNJGRTUQA-UHFFFAOYSA-N 357.410 3.746 0 40 FHAB COC(=O)c1ccc(CN2CCC[C@@H](c3cc4ccccc4[nH]3)C2)n1C 1657293367 IHQZRYLUIFYZNV-MRXNPFEDSA-N 351.450 3.673 0 40 FHAB O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)c1ccc(C(F)(F)F)cc1 390825848 IOBPLHNIYJNCHY-HNNXBMFYSA-N 353.344 3.723 0 40 FHAB Cc1nc(C(=O)N(C)Cc2ccc(Cl)s2)nn1-c1ccc(F)cc1 52737335 JMRXSSHJVDNZMW-UHFFFAOYSA-N 364.833 3.702 0 40 FHAB Cc1ccc(OCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 58248536 HYBMKMCFXWKMSN-UHFFFAOYSA-N 372.896 3.808 0 40 FHAB COc1ccc(NC(=O)CNc2ccc3nc(C)sc3c2)c(OC)c1 69450270 PLSVCJQQXYNPTO-UHFFFAOYSA-N 357.435 3.673 0 40 FHAB CC(C)(C)c1ncc(NC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)cn1 67282224 FVZRHNHZEJGFNB-MRXNPFEDSA-N 358.417 3.519 0 40 FHAB Cc1c(C(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2ccc(F)cc2)cnn1C 1615153765 CPUVDXQMMWTHNR-OALUTQOASA-N 370.472 3.530 0 40 FHAB CCOc1ccc([C@@H](C)NC(=O)Cc2ccc(OC)cc2)cc1OCC 5510609 UUEOYENOVDINMM-OAHLLOKOSA-N 357.450 3.913 0 40 FHAB CCc1sc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)nc1-c1ccccc1 5674243 MJWKACNUDPEBJP-CLWVCHIJSA-N 368.458 3.834 0 40 FHAB Cc1nn(CC(=O)N[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)c(C)c1C 12366611 HTUHXQDHAIQYAK-WKDRNLAYSA-N 351.494 3.897 0 40 FHAB O=C(C1CCCCC1)N1CCC[C@H](c2nc(O)cc(-c3ccccn3)n2)C1 13267919 OHDLAZCSDNFNOR-INIZCTEOSA-N 366.465 3.531 0 40 FHAB CCCCC(=O)C1CCC(CNC(=O)Cc2ccc(N(C)C)cc2)CC1 14000477 YFKSNCICMZARDZ-UHFFFAOYSA-N 358.526 3.977 0 40 FHAB COc1ccccc1CN1CCC(c2nnc(-c3cccnc3)o2)CC1 19570167 HNOQCVIWZSBAGJ-UHFFFAOYSA-N 350.422 3.520 0 40 FHAB Cc1cc2cc(NC(=O)c3nc4ccccc4n(C)c3=O)cc(Cl)c2o1 19715009 XTKBALONHZHCQB-UHFFFAOYSA-N 367.792 3.894 0 40 FHAB COc1ccc2c(c1)OCC(c1cncn1CCCN1CCCCC1)=C2 19719407 OAPWWKJWLSNJRP-UHFFFAOYSA-N 353.466 3.701 0 40 FHAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(O)c(C(=O)O)c2)cc1 20151665 YCLCDXDFCKYQIY-UHFFFAOYSA-N 372.446 3.515 0 40 FHAB Cc1nc(C(F)F)cc(N2CCN(c3nc4ccccc4s3)CC2)n1 1888882060 KTHPWCRMTXBPHE-UHFFFAOYSA-N 361.421 3.659 0 40 FHAB CCN1C(=O)N(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc21 1889092496 UBDLQVWRBGXAQO-UHFFFAOYSA-N 350.827 3.804 0 40 FHAB Cc1nc2ccccc2n1CCNC(=O)Cc1coc2cc3c(cc12)CCC3 15135956 ZIMZOXXBRNSLNR-UHFFFAOYSA-N 373.456 3.939 0 40 FHAB Cc1ccsc1CCC(=O)N1CC(Oc2ccnc(C(F)(F)F)c2)C1 1776009168 XAPPSVRIMPLPAN-UHFFFAOYSA-N 370.396 3.693 0 40 FHAB Cc1cc(OC[C@H]2CCCN(C(=O)Cc3ccc(F)cc3F)C2)ccn1 1776000676 FMZJBATZJIKIQR-HNNXBMFYSA-N 360.404 3.528 0 40 FHAB CCc1ccc(CN2CCC3(CC2)CC(=O)NCc2ccccc2N3)cc1 2037980614 ASOLSNROYASEQG-UHFFFAOYSA-N 363.505 3.716 0 40 FHAB CC(C)(C)C(=O)NC1CCN(c2ncc(Br)cc2Cl)CC1 2087045495 ORABXOPZIVQKGV-UHFFFAOYSA-N 374.710 3.629 0 40 FHAB COc1ccccc1[C@@H]1SCCN1S(=O)(=O)c1ccc(C)cc1C 887284 ZVFZLBZUUOHPJD-SFHVURJKSA-N 363.504 3.748 0 40 FHAB O=C(c1cnc2ccccc2n1)N1CC(n2c(C3CC3)nc3ccccc32)C1 1775971309 YURTVLKDHQYWJF-UHFFFAOYSA-N 369.428 3.554 0 40 FHAB O=C(c1cnn(-c2ccccc2)n1)N1CCS[C@@H](c2ccccc2)CC1 211139055 PUZNWLCQYLINGZ-LJQANCHMSA-N 364.474 3.588 0 40 FHAB Cc1nc2sc([C@@H](c3cccc(F)c3)N3CCC[C@H](C)C3)c(O)n2n1 36043167 MSZYVBDUAHETNH-XHDPSFHLSA-N 360.458 3.765 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(OCC(F)(F)F)c2)c1C 40111878 IHDKAIQGZZMBCO-UHFFFAOYSA-N 368.355 3.705 0 40 FHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1ccc2c(c1)CCC(=O)N2 40146773 WCOJBTQAHZQVNH-KRWDZBQOSA-N 352.434 3.916 0 40 FHAB COc1ccc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 8226309 KKSWMHOVTCOBIY-UHFFFAOYSA-N 364.449 3.828 0 40 FHAB Cc1ccc(Cl)cc1-n1ncc2c(NCc3ccccn3)ncnc21 20662010 MPWPUQSKWOBKDK-UHFFFAOYSA-N 350.813 3.784 0 40 FHAB O=C(c1cc2cc(Br)ccc2o1)N1CC[C@@H](N2CCCC2)C1 60373983 VQZRLKPYHKMMLH-CQSZACIVSA-N 363.255 3.506 0 40 FHAB CC(=O)Nc1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 6064136 RTPFNTAJMPKCMY-UHFFFAOYSA-N 352.312 3.681 0 40 FHAB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NCc1cccs1 6587461 PVNSSYBTTNVWBS-UHFFFAOYSA-N 366.442 3.587 0 40 FHAB S=C(NC1CCCC1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 6969815 MPJCLWYLDAYDMT-UHFFFAOYSA-N 358.338 3.933 0 40 FHAB O=C(COC(=O)c1cc2c(F)cccc2s1)c1ccc2c(c1)OCO2 7250640 ZNKKRDVKQZVSGM-UHFFFAOYSA-N 358.346 3.809 0 40 FHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1 7381044 IDHBQJZXDVNYKO-IBGZPJMESA-N 358.869 3.846 0 40 FHAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1OC 7402194 FGQNBFROHSCJND-UHFFFAOYSA-N 362.234 3.811 0 40 FHAB Cc1cccc(-c2noc(CN(C)C(=O)CCCOc3ccccc3)n2)c1 7759816 AWKOZLBQSLDWLI-UHFFFAOYSA-N 365.433 3.863 0 40 FHAB COc1ccc(CCCNC(=O)c2ccccc2OC(C)C)cc1OC 105955881 KQYDOAPAPZAABV-UHFFFAOYSA-N 357.450 3.854 0 40 FHAB Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)c(C)c1 8369048 CJCOSVICCPJFQT-UHFFFAOYSA-N 374.506 3.561 0 40 FHAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccccc2OC)cc1 8500056 SAGLTAUVLVOVOH-INIZCTEOSA-N 357.406 3.668 0 40 FHAB O=C(NC[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1Cl 8983565 LHLMAPYEGSTRKB-GFCCVEGCSA-N 363.244 3.776 0 40 FHAB NC(=O)C1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)CC1 2701254 PEQLQRPDIBRYBZ-UHFFFAOYSA-N 372.881 3.713 0 40 FHAB CC(C)Cc1noc(CS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)n1 32929633 MIJHGANFNMZEAU-UHFFFAOYSA-N 363.266 3.690 0 40 FHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)Cc1c(F)cccc1Cl 21962642 NMOYSKCKKAGUBG-UHFFFAOYSA-N 357.816 3.866 0 40 FHAB CCN(CC(=O)NC(C)(C)C)C(=O)c1sc2ccccc2c1Cl 21921859 BHUOUPQGPMRFCW-UHFFFAOYSA-N 352.887 3.932 0 40 FHAB CN1CCN(Cc2ccccc2C(=O)c2ccc(Cl)cc2Cl)CC1 22028243 VPBZBXGNCIOLKH-UHFFFAOYSA-N 363.288 3.972 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2cccc(C(C)=O)c2)c(OC)c1OC 9973423 LOOAKPDURWGCCU-PKNBQFBNSA-N 355.390 3.567 0 40 FHAB Cc1ccc(C)c(C(=O)COC(=O)Cc2csc(-c3ccccn3)n2)c1 22382278 GHQGOUMRVNOWCM-UHFFFAOYSA-N 366.442 3.791 0 40 FHAB O=C(CCS[C@H]1CCc2ccccc2N=C1O)NCCc1ccco1 12322798 JMQCVKPSNXWPDW-KRWDZBQOSA-N 358.463 3.665 0 40 FHAB CC(C)[C@@H](C(=O)Nc1ccc(N2CCOCC2)nc1)c1ccc(Cl)cc1 22995133 RDPGXGBWNAKEAI-LJQANCHMSA-N 373.884 3.950 0 40 FHAB C[C@@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C[C@@H](C)O1 3175206 XZSUSZAEGIFZTF-HUUCEWRRSA-N 367.474 3.850 0 40 FHAB Cc1ccn2cc(C(=O)OCc3nc(-c4ccc(Cl)cc4)no3)nc2c1 12531826 ZXXFOTNBGZJMLL-UHFFFAOYSA-N 368.780 3.703 0 40 FHAB Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CCC4)cc1 1252393 FZFJPQHAVPSBCZ-UHFFFAOYSA-N 351.431 3.958 0 40 FHAB CC(C)c1noc([C@H](C)S(=O)(=O)Cc2csc(C(C)(C)C)n2)n1 55207551 JZUAJZAOKKQEQP-JTQLQIEISA-N 357.501 3.623 0 40 FHAB C[C@H]1C[C@@H](C)CN(CCCCNC(=O)N[C@H]2CCOc3ccccc32)C1 106526652 KVVFCTWEPDRTQE-SCTDSRPQSA-N 359.514 3.568 0 40 FHAB COc1ccccc1S(=O)(=O)N(Cc1ccco1)c1ccccc1F 55621818 HVTVTAKQDIGHFP-UHFFFAOYSA-N 361.394 3.823 0 40 FHAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccccc3Br)C(=O)[C@H]21 100187028 XZKPWLYCANZKAH-DPDCMNJDSA-N 358.235 3.707 0 40 FHAB O=S(=O)(Nc1ccccc1OC1CCCC1)c1c[nH]c2ncccc12 57118840 SUXOHWGICZRJPV-UHFFFAOYSA-N 357.435 3.685 0 40 FHAB CN(C=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118924367 HLDTUQUVDSWHQL-GDLCRWSOSA-N 359.510 3.948 0 40 FHAB CC(=O)Nc1ccc(F)c(NC(=O)CC2(CC(=O)O)CCCCC2)c1 44830408 ZDJBDILVWUWBLO-UHFFFAOYSA-N 350.390 3.538 0 40 FHAB CCCC(=O)NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20151278 DTHVDJNVCHBSCW-UHFFFAOYSA-N 352.843 3.705 0 40 FHAB CCN1CCN(c2ccc(NC(=O)CCOc3ccccc3)c(C)c2)CC1 25185798 PIELMYUQESHOKK-UHFFFAOYSA-N 367.493 3.545 0 40 FHAB CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)COc1ccccc1 9232732 HPBWWGDNWWRTJU-UHFFFAOYSA-N 364.445 3.654 0 40 FHAB O=C(CSc1nnnn1-c1ccccc1)Nc1ccc2ccccc2c1 2215873 VHFAZSMZGOFXRE-UHFFFAOYSA-N 361.430 3.546 0 40 FHAB COc1ccccc1[C@H](C)N(C)C(=O)NC[C@H]1COc2ccccc2C1 45128953 LQYJGXVBNTYJMQ-HOTGVXAUSA-N 354.450 3.649 0 40 FHAB Cn1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c2cc(F)ccc21 22236310 CUUJFKHECZONGB-UHFFFAOYSA-N 364.298 3.949 0 40 FHAB C[C@@H](NC(=O)COc1ccc(F)cc1Br)c1cccs1 36710119 LBNWDZSUNCOCIE-SECBINFHSA-N 358.232 3.906 0 40 FHAB Cc1cccc(OCCC(=O)NCc2cccc(NC(=O)C3CC3)c2)c1C 24791320 MBXJHMHZLZHMSL-UHFFFAOYSA-N 366.461 3.737 0 40 FHAB Cc1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)c(F)c1 12788490 VQVYYUPTGDYCSF-UHFFFAOYSA-N 365.408 3.823 0 40 FHAB COc1ccc(Cl)cc1C(=O)N(C)Cc1nnc(-c2ccc(C)cc2)o1 408714435 QQYZQYDPUBEJQG-UHFFFAOYSA-N 371.824 3.979 0 40 FHAB CC(C)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 3409562 DZVKLVCCHASSTA-UHFFFAOYSA-N 370.453 3.690 0 40 FHAB COCCn1c(C)cc(C(=O)CSc2ncnc3sccc23)c1C 3542864 ANGKEFFLPSYOMY-UHFFFAOYSA-N 361.492 3.731 0 40 FHAB COC(=O)CCn1c(S[C@H](C)c2ccccc2)nc2ccccc2c1=O 12910109 GXGWLLNSDZKRNK-CQSZACIVSA-N 368.458 3.813 0 40 FHAB COc1ccccc1/C=C(/C(=O)NCCCn1ccnc1)c1ccccc1 4024106 QPRZKUKSVXRATK-CAPFRKAQSA-N 361.445 3.639 0 40 FHAB Cc1nc(CN2CCN(Cc3ccc(-c4ccc(Cl)cc4)o3)CC2)no1 93274526 IZJOXIBIZNMPFZ-UHFFFAOYSA-N 372.856 3.609 0 40 FHAB O=C(Nc1nc2c(s1)CCc1ccccc1-2)[C@@H]1COc2ccccc2O1 4224229 FQBGNEBMVAHQNH-INIZCTEOSA-N 364.426 3.687 0 40 FHAB CC(=O)N1CCc2cc(-c3nc(NC[C@@H]4CCCO4)sc3C)ccc21 14102674 UGFKFELCJAYRBZ-INIZCTEOSA-N 357.479 3.618 0 40 FHAB C[C@H]1Oc2ccc(NC(=O)c3ccc4c5c(cccc35)CC4)cc2NC1=O 14198734 QJGMDGBLCVRKAH-GFCCVEGCSA-N 358.397 3.910 0 40 FHAB Cc1sc2nc(CSc3nnc(NC(C)C)s3)nc(N)c2c1C 8747370 JFHNCOGOIKYAGS-UHFFFAOYSA-N 366.541 3.854 0 40 FHAB O=C(Nc1ccc(Cl)cc1)c1nn(-c2ccc(Cl)cc2)ccc1=O 5451055 DKULFICGLZFBCS-UHFFFAOYSA-N 360.200 3.792 0 40 FHAB CC(C)CC(=O)N(Cc1ccc(C(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 28228476 VKEDBMOTHAGMJP-GOSISDBHSA-N 365.539 3.546 0 40 FHAB Cc1nnc(SCc2nnc(-c3ccco3)o2)n1Cc1ccccc1 6531765 NPYJLIHYSAEXEN-UHFFFAOYSA-N 353.407 3.570 0 40 FHAB CCOC(=O)c1cc(NC(=O)COc2cccc3ccccc23)ccc1O 4666550 HEBBWDFLTDAAOK-UHFFFAOYSA-N 365.385 3.740 0 40 FHAB COc1ccccc1CNC(=O)/C=C/c1cccc(OC)c1OC(F)F 6789341 PCJBTTPILIBHFI-ZHACJKMWSA-N 363.360 3.635 0 40 FHAB O=C1C[C@H](N2CCC(C3CCCCC3)CC2)C(=O)N1c1ccc(F)cc1 18220135 YITIBXQNRLZBEQ-IBGZPJMESA-N 358.457 3.750 0 40 FHAB CCOc1ccc(C(=O)[C@H](C)OC(=O)c2cc(-c3ccccc3)[nH]n2)cc1 7028566 NDISSWQQIUYZEC-AWEZNQCLSA-N 364.401 3.904 0 40 FHAB C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1cccc2nsnc12 19080126 IMFAPLKFACEYEQ-ZDUSSCGKSA-N 373.503 3.681 0 40 FHAB CC(=O)Nc1ccc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1 7113199 XGXRNQLTRCUDRP-INIZCTEOSA-N 363.339 3.774 0 40 FHAB C[C@@H]1CN(c2ccccc2NC(=O)N[C@@H]2C[C@@H]2c2ccccc2)C[C@@H](C)O1 67582720 JUYCDFCLAVLDLR-QQTQMKHKSA-N 365.477 3.978 0 40 FHAB CCOc1ccc(-c2cc(C(=O)Nc3nnc(C(C)C)s3)no2)cc1 7616116 HSSIRDGYTKXTCM-UHFFFAOYSA-N 358.423 3.968 0 40 FHAB CN(CC(=O)Nc1ccc2c(c1)OCCCO2)[C@H]1CCCc2ccccc21 16342730 ZXEAYQDTBIIKTN-IBGZPJMESA-N 366.461 3.796 0 40 FHAB Cn1nnnc1NCc1c(OCc2ccc(F)cc2)ccc2ccccc12 22109697 MJXKPTYMEAOZSU-UHFFFAOYSA-N 363.396 3.694 0 40 FHAB CC(=O)Nc1ccc(OC(=O)c2sc(-c3ccccn3)nc2C)cc1 61432497 HDFPRUGGDVKCKF-UHFFFAOYSA-N 353.403 3.691 0 40 FHAB Clc1ccc(OCc2nnnn2-c2ccccc2)c(Br)c1 9577769 HIVQSPOKWACWED-UHFFFAOYSA-N 365.618 3.657 0 40 FHAB Cc1cc(C)c2nc(NC(=O)CSc3nnc(C)n3C3CC3)sc2c1 9594373 QJAMFHSFDJFVLE-UHFFFAOYSA-N 373.507 3.879 0 40 FHAB CN(Cc1ccccc1C(F)(F)F)C(=O)c1cc(F)cc2[nH]cnc12 83865537 AZZDROWBXRAJAZ-UHFFFAOYSA-N 351.303 3.993 0 40 FHAB O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)C12CC(C(F)(F)F)(C1)C2 97165148 SCGOMVINKWPACD-IGEOTXOUSA-N 372.456 3.809 0 40 FHAB O=C(Cn1cccn1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 24980567 KDKHJJHEPNLYTQ-UHFFFAOYSA-N 360.870 3.552 0 40 FHAB COc1cc(NC2CCN(C(=O)c3cscc3C)CC2)cc(OC)c1 85500142 QBJCCLTVQXAXSK-UHFFFAOYSA-N 360.479 3.790 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCCN1C(=O)c1cccs1 24540507 BFEFVONFFUSUCH-SJLPKXTDSA-N 370.518 3.880 0 40 FHAB CN(C)c1ccc(NC(=O)CSc2ccc(Br)cc2)cn1 22395248 DIBCBYCAMQPUKD-UHFFFAOYSA-N 366.284 3.641 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C 408998256 LBNONBRETDQNCM-IBGZPJMESA-N 370.449 3.893 0 40 FHAB COc1ccc(Cl)cc1C(=O)NCc1noc(-c2ccc(C)cc2)n1 33575726 AGPLRXIQOQLTGE-UHFFFAOYSA-N 357.797 3.637 0 40 FHAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 30857768 UXQFNWOMIQIZSK-UHFFFAOYSA-N 374.245 3.722 0 40 FHAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cccc(O)c2)S1 408816449 YVKJSPMSTLRYMM-UHFFFAOYSA-N 361.830 3.817 0 40 FHAB COc1cccc(Cc2cccc([C@H]3CCCN3C3CCOCC3)n2)c1 72358159 HRGAFWCJSLTFBR-JOCHJYFZSA-N 352.478 3.997 0 40 FHAB CCCCOc1ccc(CNC(=O)Cc2ccccc2OC)cc1OC 32749970 UVGMYINXZXTXSZ-UHFFFAOYSA-N 357.450 3.742 0 40 FHAB O=C(N[C@@H]1CCCc2c1cnn2-c1ccncc1)[C@H]1C[C@H]1c1ccccc1 71195725 FCTJTNUMHNLONK-CMKODMSKSA-N 358.445 3.565 0 40 FHAB Cc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)c4ccn(C)n4)C3)n2)c1 72349921 YPXWTTGKWBLRNM-LJQANCHMSA-N 374.488 3.734 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cnc(Cl)cc2C)cc1 72217849 BLLFGWUPNDPGGW-MRXNPFEDSA-N 350.871 3.878 0 40 FHAB Cc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3cc(C)ccc3C)n2)c1 219075091 RIUIJNDJJTYUAG-INIZCTEOSA-N 365.433 3.746 0 40 FHAB O=C(Nc1ccc(F)cc1)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 225485137 UGPUMRAZNSEAHK-INIZCTEOSA-N 373.359 3.728 0 40 FHAB biogenic,in-vitro Cc1ccc(CCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C 223890852 UQZRGKYXZUHOSS-INIZCTEOSA-N 359.491 3.517 0 40 FHAB Cc1ocnc1C(=O)N1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 194123546 OLVBBYLHUGRCMV-CYBMUJFWSA-N 368.433 3.783 0 40 FHAB Cc1cc2c(cc1C(=O)NCc1ccc(OC(C)C)cc1)OCCCO2 46077727 YAIWDSSSBVHVNX-UHFFFAOYSA-N 355.434 3.874 0 40 FHAB Cc1nc(SCC(=O)Nc2cc(F)ccc2F)cc(-c2ccncc2)n1 49007179 ARKBQOCMCHXWSD-UHFFFAOYSA-N 372.400 3.856 0 40 FHAB Cc1nccn1-c1ccccc1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1 44903077 WZJNPCZSRXIPAG-CQSZACIVSA-N 369.852 3.918 0 40 FHAB CCC(CC)C(=O)Nc1ccc(OCc2cc(=O)n3oc(C)cc3n2)cc1 41085672 SJMOJAKEEWFJCO-UHFFFAOYSA-N 369.421 3.550 0 40 FHAB CCCCc1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)cc1 223320661 LDQGATIAYBZIFD-UHFFFAOYSA-N 360.435 3.573 0 40 FHAB COc1cc(N)cc(Br)c1NC(=O)Cc1ccc(Cl)cc1 227146318 CBIJUMBMQWTBRI-UHFFFAOYSA-N 369.646 3.875 0 40 FHAB CCc1nn(C)cc1NC(=O)N1CCC(c2nc3c(s2)CCCC3)CC1 577276477 COZBILYEVRLGJD-UHFFFAOYSA-N 373.526 3.729 0 40 FHAB Cc1ccc(CS(=O)(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)cc1 91690467 XSPSXTZSTPAPDB-INIZCTEOSA-N 355.500 3.807 0 40 FHAB Cc1nn([C@@H](C)CC(=O)N2CCN(C)C[C@H]2c2ccccc2)c(C)c1Cl 248151260 UCWFHORWHZZXIU-KSSFIOAISA-N 374.916 3.620 0 40 FHAB c1ccc(Nc2cc(C[C@@H]3CCCN(Cc4cncs4)C3)ncn2)nc1 257259304 KXSODSRWSDKXFP-HNNXBMFYSA-N 366.494 3.526 0 40 FHAB O=C(NCc1ccc(F)cc1)N1CCC(CSc2ccccn2)CC1 85557663 CKKXOSQZNMERNK-UHFFFAOYSA-N 359.470 3.935 0 40 FHAB CN(C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@H]1C[C@@H](C(N)=O)C1 626568928 KWOZBJDHWFZRKD-JNSHFYNHSA-N 373.840 3.860 0 40 FHAB CSCc1cccnc1C(=O)N1CCC[C@@H](c2c[nH]c3ncccc23)C1 602196751 BIDOKMLYYKJQCB-CQSZACIVSA-N 366.490 3.841 0 40 FHAB CC(C)S(=O)(=O)c1ccccc1NC(=O)NCC1(c2ccccc2)CC1 110082290 MZNFYBHKYDXCCN-UHFFFAOYSA-N 372.490 3.722 0 40 FHAB O=C(NCc1ccc(Oc2ccccc2)nc1)[C@H]1COc2ccccc2C1 89845834 UEDSLLGUYSZPMP-GOSISDBHSA-N 360.413 3.741 0 40 FHAB C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ccn(C)c1)OCCO3 84718159 WIMYYKRJSOAUOD-OAHLLOKOSA-N 366.461 3.825 0 40 FHAB Cc1noc(C)c1C(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 1615152589 BAWDAMBYIHDWQN-QAPCUYQASA-N 371.456 3.950 0 40 FHAB Nc1ccc(S[C@@H]2CC(=O)N(c3c(Cl)cccc3Cl)C2=O)cc1 13578784 UBNNIAXUTCPNQA-CYBMUJFWSA-N 367.257 4.000 0 40 FHAB O=C(CCSCc1ccccc1)N1CCN(c2ccccc2F)CC1 13688004 CCLFPWMEDMFINX-UHFFFAOYSA-N 358.482 3.798 0 40 FHAB O=C(Cn1ccs/c1=N\C(=O)c1cccc(Cl)c1)c1ccccc1 15229982 OBSGRMWQZNMRJT-ZZEZOPTASA-N 356.834 3.827 0 40 FHAB C[C@@H](NNC(=S)N1CC2CCC(CC2)C1)c1cc2ccccc2cn1 17140898 GMWYODAUHQQTQU-QQFBHYJXSA-N 354.523 3.797 0 40 FHAB CC[C@@H](C(=O)Nc1nc2c(s1)CCc1c-2cnn1C)c1ccccc1 19500563 FLEIIDJGRPTGSO-CYBMUJFWSA-N 352.463 3.775 0 40 FHAB COc1cc2c(cc1-c1cncn1C[C@@H](C)N1CCCCC1)OCCCO2 19720016 WJVHKBDLQCXSNP-MRXNPFEDSA-N 371.481 3.594 0 40 FHAB Cc1nc(N)cc(CC2CCN(Cc3ccc(-c4ccccn4)cc3)CC2)n1 19758803 PIPJORYISVVRAD-UHFFFAOYSA-N 373.504 3.884 0 40 FHAB COc1ccc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)c(OC)c1 5376163 JUGOKXKRJKGBSN-PXNMLYILSA-N 357.387 3.650 0 40 FHAB CCN1CCOc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2C1=O 9828107 IXAKVSDLMPIEOM-UHFFFAOYSA-N 368.477 3.696 0 40 FHAB O=C(CCc1nc(-c2cccs2)no1)Nc1nc2ccccc2s1 4969540 QSJQQLPNMBBJFP-UHFFFAOYSA-N 356.432 3.979 0 40 FHAB CCOc1ccc(NC(=O)N2[C@H]3CC[C@H]2CC(n2cc(C)cn2)C3)cc1 1889149223 RHPVUGWIILYMML-IRXDYDNUSA-N 354.454 3.990 0 40 FHAB CCc1ccc(NC(=O)CN2CCC(c3nc4ccccc4[nH]3)CC2)cc1 4315072 QQTKNRZNTFRPOX-UHFFFAOYSA-N 362.477 3.943 0 40 FHAB COc1ccc(-c2cc(CC(=O)N[C@H](C)c3ccccc3)no2)cc1OC 12867722 RUKFIWYMKPPUCQ-CQSZACIVSA-N 366.417 3.779 0 40 FHAB C=Cc1ccc(CSc2n[nH]c(=O)c3cc(-c4ccco4)nn23)cc1 16844114 JMSIIEBTCMURDN-UHFFFAOYSA-N 350.403 3.613 0 40 FHAB O=C(NCc1c(-c2ccccc2)nc2n1CCS2)c1ccc(F)c(F)c1 17191464 DMACZWNUBBVFFP-UHFFFAOYSA-N 371.412 3.864 0 40 FHAB COc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)cc1F 1775972241 DWHZQYRJOVSCOG-GJZGRUSLSA-N 351.443 3.630 0 40 FHAB COc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)cc1F 1775975145 AKLQNJFJJBQCGN-KBPBESRZSA-N 363.820 3.693 0 40 FHAB CCOc1ccc2ccccc2c1C(=O)NC[C@](C)(O)Cc1ccco1 206616660 WFMCZECOHWEIKR-OAQYLSRUSA-N 353.418 3.555 0 40 FHAB Cc1cc(C(=O)N2CCC(Nc3ccccc3)CC2)c2c(C)noc2n1 50174531 KYPJSKJBBQXYFU-UHFFFAOYSA-N 350.422 3.556 0 40 FHAB Oc1nc(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)nc2ccsc12 50231536 GDUNSTBBQSYHHR-OAHLLOKOSA-N 373.453 3.717 0 40 FHAB Cc1cc(C)n2nc(SCc3noc(-c4ccc(Cl)cc4)n3)nc2n1 29257904 KKYXNDPAQMDAEM-UHFFFAOYSA-N 372.841 3.737 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)c1ccccc1-n1cccc1)CC2 32123931 FRGARKPKXDQKKN-UHFFFAOYSA-N 362.429 3.693 0 40 FHAB biogenic COc1cc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2cc1OC 20715072 AJNAUGCYSPJCHL-UHFFFAOYSA-N 365.216 3.769 0 40 FHAB CCCN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1Br)C2 1369955 IZPAWRZBAHEEDZ-HUUCEWRRSA-N 365.315 3.974 0 40 FHAB C[C@@H](Sc1nnc2sc3ccccc3n12)C(=O)NCc1ccccc1 20882496 PKDZZVSORXJXRJ-GFCCVEGCSA-N 368.487 3.741 0 40 FHAB CCO[P@@](=O)(c1ccccc1)[C@@H](NC(=O)OC)C(Cl)(Cl)Cl 2675066 XKCBRBXUYHBZIW-UZJPJQLHSA-N 374.588 3.679 0 40 FHAB C[C@@H](C1CC1)n1[nH]cc/c1=N\C(=O)c1ccc(C(=O)c2ccccc2)cc1 101985443 YQJBSFFFZODPPB-HNZYNWIWSA-N 359.429 3.759 0 40 FHAB COc1ccc(OC)c(C(=O)COC(=O)c2cc(F)c(F)cc2Cl)c1 3228959 NYUSJPJIDAPZSC-UHFFFAOYSA-N 370.735 3.675 0 40 FHAB COc1ccc2c(COC(=O)c3ccc4ncsc4c3)cc(=O)oc2c1 2616461 ZHPGTQWMGPNHLR-UHFFFAOYSA-N 367.382 3.768 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@H]1CCOc2ccccc21 32744551 CTYJPFSWDVBDGY-HXUWFJFHSA-N 361.445 3.672 0 40 FHAB CCOc1ccccc1-c1nnc(SCC(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)o1 4832792 YKMYAFJFYHFJAB-GUTXKFCHSA-N 373.478 3.532 0 40 FHAB CC(C)(C)c1ccc(OCCC(=O)OCC(=O)NC2CCCCC2)cc1 6033259 OWQSAQNPPULPIG-UHFFFAOYSA-N 361.482 3.745 0 40 FHAB CCCCN1C(=O)S[C@@H](Cc2cc(OCC)c(OC)cc2C)C1=O 6647595 JNHOJTSREQKKAL-INIZCTEOSA-N 351.468 3.809 0 40 FHAB Cc1ccc(CNC(=O)c2cc3cc(Br)ccc3oc2=O)cc1 6968282 LWXDAFWGVWDUDR-UHFFFAOYSA-N 372.218 3.794 0 40 FHAB CCOc1ccccc1OCC(=O)N[C@@H](c1ccccc1)c1ccncc1 6978289 NXKRTYXUZWLRTF-QFIPXVFZSA-N 362.429 3.765 0 40 FHAB O=C(NCCNc1ccc(C(F)(F)F)cn1)c1ccc(F)cc1Cl 32818309 UKMXJAJDVODCQY-UHFFFAOYSA-N 361.726 3.735 0 40 FHAB CCOc1ccc(NC(=O)c2nnn(-c3ccc(CC)cc3)c2C)cc1 2713345 XYPFEBQYZKLLQA-UHFFFAOYSA-N 350.422 3.789 0 40 FHAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(Cl)cc2O)CC1 32994464 NDNCOIFJYXENQS-UHFFFAOYSA-N 365.260 3.970 0 40 FHAB c1csc(CN2CC[C@H]3OCCC[C@@]3(COCc3ccncc3)C2)c1 107712392 ZUZCLTRYPZAVFM-UXHICEINSA-N 358.507 3.731 0 40 FHAB CCOc1c(Br)cc(Br)cc1/C=C/C(=O)O 12394682 ODMOQXLVVVKFID-ONEGZZNKSA-N 350.006 3.708 0 40 FHAB COc1ccccc1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 22968412 WGCMYTBJAKICSP-UHFFFAOYSA-N 358.869 3.743 0 40 FHAB O=C(CCCOc1ccccc1)Nc1ccccc1C(=O)N1CCCC1 58102376 UODUKQWPSLJAGV-UHFFFAOYSA-N 352.434 3.720 0 40 FHAB CC(=O)Nc1ccc(F)c(NC(=O)CSc2ccc(F)c(F)c2)c1 23003425 ASDBBLCQWFYBNE-UHFFFAOYSA-N 354.353 3.793 0 40 FHAB O=C(C[C@@H]1Sc2ccccc2NC1=O)NCCc1ccc(Cl)cc1 3027457 MDTJFNFVJWAWKY-INIZCTEOSA-N 360.866 3.502 0 40 FHAB O=C(OCc1noc(-c2ccco2)n1)c1csc(-c2ccsc2)n1 24048092 ORLMIAOBPKTVKH-UHFFFAOYSA-N 359.388 3.872 0 40 FHAB CCCNC(=O)c1cccc(CNCc2cc(Br)cs2)c1 47794104 DKHZSKJNVPAVON-UHFFFAOYSA-N 367.312 3.940 0 40 FHAB C[C@@H](NC(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1nc2ccccc2[nH]1 24991690 RJXZQIKIFUMGQX-YPMHNXCESA-N 355.825 3.645 0 40 FHAB COc1cccc(SC[C@@H]2CSc3nc4ccccc4c(=O)n32)c1 1405482 BGFAQRLXJQDBGW-GFCCVEGCSA-N 356.472 3.844 0 40 FHAB CCc1ccc(O[C@H](CC)C(=O)NCc2nc(-c3ccccc3)no2)cc1 78582269 OFODDLPUJDJGHH-GOSISDBHSA-N 365.433 3.773 0 40 FHAB CCN1CCC[C@H]1CN[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 25606652 XFYNEJAINDSACU-HKUYNNGSSA-N 367.493 3.880 0 40 FHAB O=C(Nc1sc2c(c1C(=O)NCC1CCC1)CCCC2)c1cccnc1 56395316 SEZGJGRPKBIMNX-UHFFFAOYSA-N 369.490 3.804 0 40 FHAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 107341913 SUHRNQJESGUAHW-QRVBRYPASA-N 364.445 3.860 0 40 FHAB COc1ccc(NC(C)=O)c(NS(=O)(=O)c2ccc3ccccc3c2)c1 57121867 OICLBMIGAUUEOQ-UHFFFAOYSA-N 370.430 3.608 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2nc(-c3cccs3)ns2)cc1OC 8673416 JCVAFNWFNWQBQY-SOFGYWHQSA-N 373.459 3.936 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2nc3cc(OC)ccc3s2)cc1 3246633 OVXJQIWUOQCBQV-UHFFFAOYSA-N 364.448 3.504 0 40 FHAB COC(=O)c1ccc2c(c1)[C@H]1C[C@](C)(O2)N(c2ccc(F)c(F)c2)C(=O)N1 101085192 MEGJUGDQKGEKAD-BEFAXECRSA-N 374.343 3.521 0 40 FHAB C[C@H](NC(=O)c1cccnc1N1CCCC1)c1ccc(OC(F)F)cc1 44619425 GERFXYDZTBHUPM-ZDUSSCGKSA-N 361.392 3.774 0 40 FHAB Cc1cccc(/C=C/C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c1 10028405 JVPKLRFUJAEEQW-ZHACJKMWSA-N 363.461 3.821 0 40 FHAB O=C(c1ccco1)N1N=C(c2ccc[nH]2)C[C@H]1c1ccc2nccnc2c1 44889925 YWXBFEKWIIYQAJ-SFHVURJKSA-N 357.373 3.542 0 40 FHAB CCCCCCn1nc(C(=O)Nc2nc(C)cs2)c2ccccc2c1=O 3259916 RTSUBOVSHMMJMH-UHFFFAOYSA-N 370.478 3.994 0 40 FHAB COc1cccc(CC(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)c1 10641174 XSOIECLYPFBGGE-UHFFFAOYSA-N 366.339 3.854 0 40 FHAB Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1cccnc1Cl 2304078 WAZMRNHXIQTZME-UHFFFAOYSA-N 353.131 3.551 0 40 FHAB CC(=O)c1ccc(-c2ccc(C(=O)NC[C@H](c3ccco3)N(C)C)o2)cc1 3344734 YHSXAHNOUOVHNB-QGZVFWFLSA-N 366.417 3.775 0 40 FHAB COc1ccccc1OCC(=O)N[C@@H](C)c1ccc(Br)cc1 3383368 FYACIFSDCNLXCW-LBPRGKRZSA-N 364.239 3.714 0 40 FHAB O=C1N/C(=C\c2c[nH]c3ccccc23)C(=O)N1Cc1ccc(Cl)cc1 4183171 PIBFVYKZIKNLTL-MFOYZWKCSA-N 351.793 3.914 0 40 FHAB COc1cccc(C2=NO[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)C2)c1 5029368 XZSSPHOEFIMUHR-MRXNPFEDSA-N 364.323 3.846 0 40 FHAB COCCOc1ccc(C(=O)Nc2ccccc2)cc1Br 8723059 MKJATPYXKIFIQR-UHFFFAOYSA-N 350.212 3.727 0 40 FHAB COc1ccc(S(=O)(=O)Oc2ccccc2Br)cc1C 5235007 XEORWVFYBDDBLI-UHFFFAOYSA-N 357.225 3.534 0 40 FHAB CCn1c(S[C@H](C)C(=O)NCc2ccc(OC)cc2)nc2ccccc21 4484477 JSJCTVJYYUBRCC-CQSZACIVSA-N 369.490 3.862 0 40 FHAB Cc1cccc(OCCN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)c1 8772541 DQSSVKMJLUDZQN-JOCHJYFZSA-N 364.445 3.548 0 40 FHAB C[C@H]1CCN(C(=O)COc2ncnc3ccccc23)c2ccccc2S1 6553600 OFEZAISNPHAGDG-AWEZNQCLSA-N 365.458 3.926 0 40 FHAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCCOc1ccc2ccccc2c1 14318968 RVWGCCOJTKAEHX-YCRPNKLZSA-N 363.413 3.563 0 40 FHAB CCOc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)Nc1ccccc1 18275862 DJWKANXHLCJTRI-SFHVURJKSA-N 367.474 3.517 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(C)n2-c2cccc(C)c2)cc1 4675607 FAHXILNTCOZHEW-UHFFFAOYSA-N 352.463 3.923 0 40 FHAB O=c1c2sccc2n(Cc2cccc(F)c2)c(=O)n1-c1ccccc1F 67258222 MNUUYGUACJBMMZ-UHFFFAOYSA-N 370.380 3.540 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)Nc2ccccc2Cl)c1C 7130713 PGOJDZQVNDUJLG-GFCCVEGCSA-N 362.813 3.672 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccccc1N1CCCC1 15934739 SOMLEBMEYSXEMN-UHFFFAOYSA-N 368.433 3.516 0 40 FHAB Cc1ccc(-c2nnc(NC(=O)COc3ccc(Cl)cc3C)[nH]2)cc1 8117044 BLRAOESADGQSJG-UHFFFAOYSA-N 356.813 3.759 0 40 FHAB O=C(CCSc1ccccc1F)Nc1ccccc1C(=O)NC1CC1 9452882 KFVMUAZZCGBXGC-UHFFFAOYSA-N 358.438 3.839 0 40 FHAB Cc1n[nH]c(-c2ccc(Cl)cc2)c1CC(=O)N[C@H]1CCOC(C)(C)C1 95477346 WCGDIDGJZYRRLW-HNNXBMFYSA-N 361.873 3.655 0 40 FHAB O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2)c1cccnc1 95955436 ILXUUXPRLHDPJM-UHFFFAOYSA-N 369.490 3.900 0 40 FHAB O=S(=O)(c1ccc(Cl)cc1)[C@H]1[C@H](c2cccc(Cl)c2)[C@@H]1CO 218590113 KAANBJQCTHHYLY-ARFHVFGLSA-N 357.258 3.542 0 40 FHAB Cc1nc(-c2ccncc2)sc1C(=O)/N=c1/[nH]c2ccccc2s1 71281079 ZBJHCFOKJHPMFU-UHFFFAOYSA-N 352.444 3.797 0 40 FHAB CCCc1nnc(SCC(=O)Nc2ccccc2F)n1Cc1ccco1 35312410 YYNSQPCALUYYPZ-UHFFFAOYSA-N 374.441 3.742 0 40 FHAB CCc1nccn1-c1cncc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)n1 72355445 CETDDNMVAWAZNZ-QGZVFWFLSA-N 365.456 3.743 0 40 FHAB CCN1CCC[C@@H]1CNc1ncc(-c2cc(C)no2)c(-c2ccc(C)o2)n1 72340116 WUUMNUCJLPRFHG-OAHLLOKOSA-N 367.453 3.905 0 40 FHAB COc1cc(CNC(=O)Nc2ccc(C)cc2)ccc1OC[C@@H]1CCCO1 45951959 BSCQKCPAOXDSGY-SFHVURJKSA-N 370.449 3.883 0 40 FHAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccco2)cc1 223407714 HFXNODBAXZXJRA-RBUKOAKNSA-N 365.458 3.856 0 40 FHAB Cc1ccc(CNC(=S)Nc2ncc(C)cc2Br)cc1 223942394 CMHBVHVHOQZXNQ-UHFFFAOYSA-N 350.285 3.948 0 40 FHAB COc1ccc(-c2nnc(NC(=O)CCc3ccccc3F)s2)cc1 225625085 IPVDYKXEDQJRSS-UHFFFAOYSA-N 357.410 3.924 0 40 FHAB COc1ccc(C[C@H]2CN(C(=O)c3sccc3C)CC[C@H]2OC)cc1 96110258 XGAHJTMXNXXZKX-FUHWJXTLSA-N 359.491 3.785 0 40 FHAB O=C(c1ccncc1)N1CCC[C@H]1c1nnn2cc(-c3ccccc3)ccc12 96156547 HMEKRIORBZRXIU-IBGZPJMESA-N 369.428 3.769 0 40 FHAB O=C1CCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2S(=O)(=O)c1ccccc1 247851287 HGOCZJSDHNELIL-ZVDOUQERSA-N 369.486 3.603 0 40 FHAB Cc1noc([C@@H]2CN(C(=O)/C=C\c3cccs3)C[C@H]2c2ccccc2)n1 253401443 MYQSEXCHBHJFGJ-IHVSBYRNSA-N 365.458 3.863 0 40 FHAB O=C(c1ncccn1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257230314 GBRSXZOATKKZPW-KRWDZBQOSA-N 366.396 3.562 0 40 FHAB Cc1nc2ccc(C(=O)N3CCC[C@H]3c3cccc4c3OCCO4)cc2o1 684273612 LUWXUEPMRQJOCZ-KRWDZBQOSA-N 364.401 3.885 0 40 FHAB O=C(N[C@@H](CO)c1cccc(Cl)c1Cl)c1cnc(CC2CC2)s1 1615611242 YTHLILGBRCIHJX-LBPRGKRZSA-N 371.289 3.866 0 40 FHAB O=C(/C=C/c1ccccc1)NCCn1nc(C(F)(F)F)c2c1CCCC2 96121540 SQEOAWOQUOJZEI-ZHACJKMWSA-N 363.383 3.610 0 40 FHAB O=C(NCC1CCN(C2CC2)CC1)c1cccnc1Sc1ccccc1 683643669 BFYPSFIVBAGNOO-UHFFFAOYSA-N 367.518 3.837 0 40 FHAB CC(C)c1nc(CNC2CCN(C(=O)c3ccccc3F)CC2)cs1 58231579 BMUGAVONGDPGHO-UHFFFAOYSA-N 361.486 3.800 0 40 FHAB Cc1nnc(SC[C@H](O)COc2cccc3ccccc23)n1C1CC1 58177857 JRSQGFOXWXQNKN-MRXNPFEDSA-N 355.463 3.607 0 40 FHAB COCCOc1ccc([C@H](C)NC(=O)N(C)CC2CCCC2)cc1OC 58216117 FMILQBGCUIIXMS-HNNXBMFYSA-N 364.486 3.613 0 40 FHAB CN(c1cccc2cccnc12)S(=O)(=O)c1cnc2ccsc2c1 500497278 LQTUYMXYSMGJHQ-UHFFFAOYSA-N 355.444 3.670 0 40 FHAB Cc1ccsc1CN1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615129376 MGNXPFZYOOSPJY-HXUWFJFHSA-N 374.481 3.594 0 40 FHAB CCn1ccc(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)n1 1615122839 AWLQCLBURRNRKK-OAQYLSRUSA-N 370.472 3.706 0 40 FHAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(OC)cc2)cc1 11636900 YXGQTGXMJNVSIF-GOSISDBHSA-N 357.406 3.668 0 40 FHAB CC(C)N1CC[C@@H](CCc2ccc(NC(=O)c3cc[nH]n3)cc2)[C@@H](C)C1 12087359 ZPDOVFWOQIPZDK-FUHWJXTLSA-N 354.498 3.961 0 40 FHAB CCOc1ccc(CC(=O)N[C@@H](C)c2nc3cccnc3n2C(C)C)cc1 12114088 YBNYEDUHWZYUDB-HNNXBMFYSA-N 366.465 3.831 0 40 FHAB O=C(c1cccc(F)c1)N1CCCc2cc([C@H](O)CN3CCCC3)ccc21 12291541 VIYUCNNHJFVVGO-OAQYLSRUSA-N 368.452 3.548 0 40 FHAB O[C@@H](CN1CCC(O)(c2ccccc2F)CC1)c1ccc2ccccc2c1 12292290 CMASPQHXKBFVGL-QFIPXVFZSA-N 365.448 3.996 0 40 FHAB O=S(=O)(Oc1cccc2cccnc12)c1ccc(Br)s1 16089177 LVWTYUPWAMEKEG-UHFFFAOYSA-N 370.249 3.827 0 40 FHAB C[C@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(N[C@H]2CCc3ccccc32)n1 19457463 WVGJZHYLGQQLNP-WBMJQRKESA-N 369.856 3.523 0 40 FHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@H]4C[C@@H]4C)C3)cc2N1 19520790 IBDNXZBAMCWNDX-DKBOKBLXSA-N 370.419 3.553 0 40 FHAB CCc1cc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)no1 19522689 UDDBBHSLBDFQFQ-UHFFFAOYSA-N 359.407 3.630 0 40 FHAB Cn1c(CCC(=O)N2CCc3[nH]c4ccccc4c3C2)nc2ccccc21 19656589 YZSPRMRWDXBLFY-UHFFFAOYSA-N 358.445 3.572 0 40 FHAB COc1ccc(/C=C/C(=O)OC/C=C/c2ccc3c(c2)OCO3)cc1OC 1691563 GWCFZONHXDRLLR-YZQQHVNFSA-N 368.385 3.702 0 40 FHAB COc1ccccc1NC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@@H]21 6053339 PWGMBDRLVPODKF-APWZRJJASA-N 351.450 3.843 0 40 FHAB CC(C)c1nc2ccccc2n1C1CN(S(=O)(=O)c2cccc(F)c2)C1 1888976957 RGLJBFISGIVVLB-UHFFFAOYSA-N 373.453 3.544 0 40 FHAB CSc1nccc(N2CCC(COc3ccncc3Cl)CC2)n1 1889108032 DCELWLTYADMLPB-UHFFFAOYSA-N 350.875 3.542 0 40 FHAB CCCCN(C(=O)COc1ccc2c(c1)CCC(=O)N2)c1ccccc1 25900949 PCALOGBHLHGZRG-UHFFFAOYSA-N 352.434 3.783 0 40 FHAB Cc1ccc2cc(CCNC(=O)C34CC5CC(CC(C5)C3)C4)c(=O)[nH]c2c1 3911747 CRYNAJQTPIAXBT-UHFFFAOYSA-N 364.489 3.712 0 40 FHAB O=C(Cc1ccc(F)cc1)NCCSc1ncc(-c2ccccc2)[nH]1 4315592 CKVKXROFUINPMN-UHFFFAOYSA-N 355.438 3.667 0 40 FHAB C[C@H]1C[C@@H](C)CN(C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2)C1 6455331 FOXKGUAZRBDKEL-NSHGMRRFSA-N 363.542 3.718 0 40 FHAB COc1ccc(Cn2ccnc2SCC(=O)Nc2ccccc2F)cc1 7391806 BUCBAZOIJITWTH-UHFFFAOYSA-N 371.437 3.810 0 40 FHAB Cc1ccccc1NC(=O)CCCn1nc(-c2ccc(F)cc2)ccc1=O 12440965 KISVNASZDRAMJV-UHFFFAOYSA-N 365.408 3.777 0 40 FHAB CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)c3ccccc3Cl)CC2)n1 1775968082 OCYKWGPCGZCCLE-UHFFFAOYSA-N 373.884 3.672 0 40 FHAB COc1ccc(CCNC(=O)N2CC3(CC(c4ccccc4)C3)C2)cc1 1775970391 LCLFILGGEJXHDU-UHFFFAOYSA-N 350.462 3.827 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)CN1CCC(c2cccs2)CC1 85473448 GKMOZBAJNBDTHU-UHFFFAOYSA-N 372.490 3.743 0 40 FHAB C[C@H]1C[C@H](C)CN(C(=O)c2cccc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)C1 17073704 SRAMYIJDMNTNGV-XLAORIBOSA-N 356.510 3.923 0 40 FHAB CCOC(=O)Cc1csc(NC(=O)c2oc3ccc(F)cc3c2C)n1 10421113 VNCAFGWLHCAPAZ-UHFFFAOYSA-N 362.382 3.695 0 40 FHAB CN(C)C(=O)N1CCC(C(=O)N[C@H](c2ccccc2)C2CCCCC2)CC1 40134264 PVFPOYWQPBIBJA-HXUWFJFHSA-N 371.525 3.818 0 40 FHAB COC(=O)c1c(NC(C)=O)sc(C(=O)Nc2ccc(Cl)cc2)c1C 778396 NTQVQKSLKVNQJA-UHFFFAOYSA-N 366.826 3.707 0 40 FHAB Cc1ccc(C)c2c1cc(C)c1nnc(SCC(=O)NC(C)(C)C)n12 929718 UZAFAHJTIOSECK-UHFFFAOYSA-N 356.495 3.815 0 40 FHAB CSc1ccc(CN(C)C(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1 29602483 KZFBEFFLLUHHBR-MRXNPFEDSA-N 372.490 3.512 0 40 FHAB CCCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccco1 1364378 DHRASSKOCRPXPJ-UHFFFAOYSA-N 360.414 3.818 0 40 FHAB CC[C@@H](CNC(=O)c1cc(-c2ccco2)on1)N1CCc2ccccc2C1 32447465 MDIVLNXRTSYKGO-KRWDZBQOSA-N 365.433 3.501 0 40 FHAB O=C(Nc1ccnn1Cc1cccc(Cl)c1)c1ccc2c(c1)OCO2 29766462 OHACOLMEXLSVSP-UHFFFAOYSA-N 355.781 3.566 0 40 FHAB Cc1ccccc1[C@H](OC[C@@H](O)CNCc1ccccn1)c1ccccc1 2645869 HXOHACQGXBNOGX-JTHBVZDNSA-N 362.473 3.647 0 40 FHAB CCOc1ccccc1NC(=O)COC(=O)c1cc(C)nc2ccccc12 2647310 HDZWJVUIRFHJDZ-UHFFFAOYSA-N 364.401 3.737 0 40 FHAB CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2cccnc2Cl)c1 2642516 IHMYTWJZOYUINK-UHFFFAOYSA-N 371.245 3.906 0 40 FHAB O=S(=O)(NCCCn1ccc2ccccc21)c1ccc(F)cc1Cl 32759042 LDQXEKIYYUKZHU-UHFFFAOYSA-N 366.845 3.802 0 40 FHAB COc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(C)cc3)no2)cc1OC 4998299 UOGKTGDHEBNEDG-ZDUSSCGKSA-N 367.405 3.553 0 40 FHAB COc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)cc1 6427048 DZLATSLAKUBPRA-UHFFFAOYSA-N 354.435 3.520 0 40 FHAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(C(N)=O)cc2)cc1 32810727 UZFSTILOWYOROZ-IBGZPJMESA-N 352.434 3.552 0 40 FHAB O=C(CSc1nnnn1C1CCCCC1)N(C1=CCCCC1)C1CC1 21737344 SPIACBFYGDPEMA-UHFFFAOYSA-N 361.515 3.719 0 40 FHAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccccc4)c3)C(=O)[C@H]2C1 8472586 RPTKFAMUIUKIJI-MOPGFXCFSA-N 360.413 3.785 0 40 FHAB Cc1nc2ccccc2n1CC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 46508042 LOPVEWQPJLKMDL-GOSISDBHSA-N 365.433 3.541 0 40 FHAB Cc1nc(C)c(CCC(=O)Nc2cccc(/C=C/c3ccccn3)c2)c(=O)[nH]1 12108881 DBNSHYWPAHYKCD-MDZDMXLPSA-N 374.444 3.523 0 40 FHAB CS(=O)(=O)c1ccc(NC(=O)Nc2ccc3c4c(cccc24)CC3)cc1 75408229 ZUJKXGKESFGOHF-UHFFFAOYSA-N 366.442 3.986 0 40 FHAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1ccc(F)cc1 12345143 DPTXLPOTIZSODT-UHFFFAOYSA-N 371.437 3.574 0 40 FHAB C[C@@H](SCc1ccccc1)C(=O)NCc1nc(-c2ccccc2)no1 51260874 HNOCYYUQNBMXON-CQSZACIVSA-N 353.447 3.675 0 40 FHAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H]1CCOc2ccccc21 24752066 QOIDKPKBYSCTHQ-LJQANCHMSA-N 355.482 3.729 0 40 FHAB Cc1c(C)n(C)c2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc12 27979457 JNXGQPUSSPYRJQ-UHFFFAOYSA-N 365.452 3.897 0 40 FHAB CN(CCCCN1C(=O)c2ccccc2C1=O)Cc1ccc(Cl)s1 22474535 IWUAYFWQLHNUSU-UHFFFAOYSA-N 362.882 3.910 0 40 FHAB C[C@@H]1CCC2=NN(C(=O)c3ccccc3Cl)[C@@](O)(C(F)(F)F)[C@@H]2C1 20034137 SZVRVRXHGKJCFY-OSQNNJELSA-N 360.763 3.839 0 40 FHAB CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccccc2Cl)NC(=O)N1 26920102 UHJHMENHOCUJBM-MRXNPFEDSA-N 359.788 3.746 0 40 FHAB CN1CCN(c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)CC1 23134260 VWOCAKNKRHWCRV-IZZDOVSWSA-N 355.869 3.744 0 40 FHAB COCc1cccc(C(=O)Nc2ccc(C)cc2OC[C@@H]2CCCO2)c1 55653390 FHINLJQXTIAALC-SFHVURJKSA-N 355.434 3.952 0 40 FHAB C[C@@H](NC(=O)COc1cccc(Br)c1)[C@H]1C[C@@H]2CC[C@@H]1C2 103075134 FDRDZYSCVFNPHX-BRXULGCHSA-N 352.272 3.769 0 40 FHAB CN(C)Cc1cc([C@H]2CC[C@H](CN(C)C(=O)C[C@H]3C=CCC3)CC2)nn1C 100687619 KRPCGJGUTDFNKL-GBESFXJTSA-N 372.557 3.570 0 40 FHAB COc1ccc([C@H](CC(=O)c2cccs2)SCCO)cc1OC 1896334 ITSOYFSQNBALNV-KRWDZBQOSA-N 352.477 3.805 0 40 FHAB Cc1cccc2c(=O)[nH]c(CSc3nccn3Cc3ccccc3)nc12 12529945 SFBLMRWUFAODIY-UHFFFAOYSA-N 362.458 3.769 0 40 FHAB CC(C)Cn1c(S[C@@H](C)C(=O)NC2CCCC2)nnc1-c1cccnc1 20171542 FELVWAOVQRAXDW-AWEZNQCLSA-N 373.526 3.536 0 40 FHAB CC(C)CN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2C2CC2)c2ccccc21 57946326 ZQLZFZHXJSVJLS-JOCHJYFZSA-N 361.445 3.572 0 40 FHAB NC(=O)[C@@H]1CCCN1c1nc(C2CC2)nc2scc(-c3ccccc3)c12 78679698 WIVZEAUEFGNPCJ-HNNXBMFYSA-N 364.474 3.690 0 40 FHAB O=C(Cn1c(=O)oc2ccccc21)N(c1ccccc1)C1CCCCC1 12569541 DHERTPVGLXOAPV-UHFFFAOYSA-N 350.418 3.960 0 40 FHAB COc1ccc(N(C)C(=O)c2cc(C3CC3)nc3onc(C)c23)cc1OC 58197466 RPSSWLTYHABLTK-UHFFFAOYSA-N 367.405 3.702 0 40 FHAB COc1cccc(C(=O)OCC(=O)Nc2nc3c(C)cc(C)cc3s2)c1 3221860 PJVIUXATXQZEQR-UHFFFAOYSA-N 370.430 3.717 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)n2C)cc1 10264014 IUSNEYYXCZOYEB-HOCLYGCPSA-N 358.511 3.578 0 40 FHAB CC1CCC(C)(NC(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)CC1 58201954 KWLMKUKBVKOGQK-UHFFFAOYSA-N 351.834 3.761 0 40 FHAB Cc1noc(C)c1S(=O)(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl 28043020 SWMRWCPGLHXYQN-VIFPVBQESA-N 363.266 3.980 0 40 FHAB CCCNc1nnc(SCC(=O)N2c3ccccc3CC[C@@H]2C)s1 11018033 VFYPMTHIBKWUEO-LBPRGKRZSA-N 362.524 3.820 0 40 FHAB CCOc1ccc([C@H](C)NC(=O)c2cccnc2OCC)cc1OCC 3336748 XEUUIOTVQQKXDY-AWEZNQCLSA-N 358.438 3.769 0 40 FHAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(Cl)cc1 3309268 DAUHCMMWJFDTOT-UHFFFAOYSA-N 372.833 3.641 0 40 FHAB CC(C)COc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1 3354825 VVNYIRFDLSAIGQ-UHFFFAOYSA-N 362.813 3.565 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cc(Cl)ccn1 12769587 FMZQDTYBFRZAKQ-UHFFFAOYSA-N 354.841 3.527 0 40 FHAB C[C@@]1(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)CC1(Cl)Cl 48242079 PLPBPKQTQRGTDA-INIZCTEOSA-N 361.232 3.919 0 40 FHAB Cc1ccsc1C(=O)NCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 48358479 HAVQKAJMTOLAMJ-HZPDHXFCSA-N 358.507 3.596 0 40 FHAB Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 3427124 YCPHYGLDWOCTQQ-CYBMUJFWSA-N 374.824 3.577 0 40 FHAB CC(=O)c1cccc(NC(=O)C(=O)N[C@@H](CC(C)C)c2ccccc2)c1 48975874 HDBSFALBQQCSFC-IBGZPJMESA-N 352.434 3.731 0 40 FHAB C[C@H](Sc1nncs1)C(=O)Nc1ccccc1C(=O)c1ccccc1 6085990 KVRHDGYRMUJJBA-LBPRGKRZSA-N 369.471 3.888 0 40 FHAB Cc1nc2c3c4c(sc3nc(NCc3ccco3)n2n1)CC[C@@H](C)C4 13735318 GJFZZKJZQFSGRC-SNVBAGLBSA-N 353.451 3.977 0 40 FHAB Cc1ccc(-n2ncc3c2ncn2c(-c4ccco4)nnc32)cc1Cl 5180349 XZEZPLCLDFAQBL-UHFFFAOYSA-N 350.769 3.685 0 40 FHAB Cc1noc(C)c1COc1ccc(C(=O)N[C@H](C)c2ccncc2)cc1 5226975 IXUHILIIVWKFFD-CYBMUJFWSA-N 351.406 3.756 0 40 FHAB Cc1c(CC(=O)NC2CC2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 5348601 YXLUCJBAGSJFGQ-UHFFFAOYSA-N 353.418 3.966 0 40 FHAB CCc1ccc2c(COC(=O)c3ccc(Cl)c(N)c3)cc(=O)oc2c1 6422011 DYKKQMZPHWBFHO-UHFFFAOYSA-N 357.793 3.948 0 40 FHAB C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)N1CCCc2ccccc21 14169382 DRQRWHXNZLWGCQ-AWEZNQCLSA-N 364.474 3.932 0 40 FHAB CCOc1ccc(-n2nnc(C(=O)Nc3ccccc3OCC)c2C)cc1 4511620 FNVFSMLXWWROSV-UHFFFAOYSA-N 366.421 3.625 0 40 FHAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(Br)c1 5440518 NLPSOPYZXRJQEQ-UHFFFAOYSA-N 359.223 3.828 0 40 FHAB CCn1ccc(-c2nc3c(sc4nc(C(F)F)cc(C)c43)c(=O)[nH]2)n1 6871401 JLEKNUMCDWSZEO-UHFFFAOYSA-N 361.377 3.662 0 40 FHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CCc1c[nH]c2ccccc12 15095580 HSUFTPPJEJSKHQ-INIZCTEOSA-N 373.460 3.901 0 40 FHAB O=C(CCn1ccc2ccccc21)O[C@@H](C(=O)NC1CC1)c1ccccc1 6980520 SEWGFMGMIRSKLZ-OAQYLSRUSA-N 362.429 3.595 0 40 FHAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1cccc2ccccc12 7015305 MNURWFDMQIHRCO-JOCHJYFZSA-N 358.397 3.570 0 40 FHAB O=S(=O)(c1ccc(-c2csc(NC3CC3)n2)cc1)N1CCCCC1 7274592 PKSHWILWGJFSFP-UHFFFAOYSA-N 363.508 3.559 0 40 FHAB Cc1nc(-c2ccncc2)sc1C(=O)N1CCO[C@H](c2ccccc2)C1 71285327 MDQQOBHDSVKGFO-KRWDZBQOSA-N 365.458 3.727 0 40 FHAB COc1ccccc1Oc1ccc(NC(=O)N(C)Cc2nccn2C)cc1 92731529 UVPDXPZBDMRSJF-UHFFFAOYSA-N 366.421 3.885 0 40 FHAB Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1ccc(Cl)cc1 16200168 NGQJAEZPRLDEQF-UHFFFAOYSA-N 373.815 3.838 0 40 FHAB Cc1noc(C)c1CCC(=O)N1CCC(c2nc3ccccc3o2)CC1 7987562 GWMIPRLLUYEKQC-UHFFFAOYSA-N 353.422 3.771 0 40 FHAB Cc1ccc(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)cc1C 7927188 TULKLHTZJHMLAY-GOSISDBHSA-N 358.507 3.985 0 40 FHAB COC(C)(C)C[C@H](C)NC(=O)COc1ccc(Cl)c2cccnc12 72296855 MWERPBAWLXZBET-LBPRGKRZSA-N 350.846 3.587 0 40 FHAB O=S(=O)(N[C@H](c1cccs1)C1CCCC1)c1ccc2c(c1)CCO2 84436955 NDGKBLIDBXFZAK-SFHVURJKSA-N 363.504 3.893 0 40 FHAB CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)O)cc(Cl)c1Cl 73753803 RWGCJNBCONCFEG-UHFFFAOYSA-N 360.218 3.517 0 40 FHAB O=C(Cc1cc(Br)ccc1F)OCCCc1cccnc1 95972096 MRQGZSWFAUVBHK-UHFFFAOYSA-N 352.203 3.702 0 40 FHAB C[C@H](Oc1ccccc1C(F)(F)F)C(=O)OCc1cccc2nccn12 89598277 UDKPMQAADDWZKR-LBPRGKRZSA-N 364.323 3.864 0 40 FHAB O=C(CCn1ccc2ccccc21)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 75107490 CQKJITGFELZOGO-FGZHOGPDSA-N 373.500 3.622 0 40 FHAB Cn1ccnc1COc1ccc(NC(=O)c2ccc3c(n2)CCCC3)cc1 89761472 JSBKQSZNSZOYAH-UHFFFAOYSA-N 362.433 3.525 0 40 FHAB COc1ccccc1CNC(=O)c1cccnc1Nc1ccccc1OC 22073032 BPUNLLIVTSRCRK-UHFFFAOYSA-N 363.417 3.772 0 40 FHAB CCCOc1ccc(OCCSCCC(=O)Nc2cc(C)on2)cc1 24835154 HXXRGQLFEPOGCK-UHFFFAOYSA-N 364.467 3.913 0 40 FHAB O=C(O)c1cc(C2CC2)nc2onc(-c3ccc4c(c3)OCCCO4)c12 62710736 ISSRZDCWUJZYOD-UHFFFAOYSA-N 352.346 3.627 0 40 FHAB Fc1ccc(CN2CC[C@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)cc1 306142153 WRNNJBVLUGFNET-FQEVSTJZSA-N 369.465 3.926 0 40 FHAB CC[C@H](C(=O)NCCc1c(C)n(C)c2ccccc12)n1nc(C)cc1C 36752581 NCJPABGBMKHJIJ-LJQANCHMSA-N 352.482 3.610 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)c1 78579452 DLQNBPROIANINI-ZDUSSCGKSA-N 357.435 3.532 0 40 FHAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCCN3CCCCC3)cc2)C1 30755487 BKKUIRVWSRPBLT-LJQANCHMSA-N 357.542 3.524 0 40 FHAB C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)c1ccc2c(c1)CC(C)(C)O2 1544406346 OHEZBEUECKTYTQ-GJZGRUSLSA-N 372.509 3.508 0 40 FHAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCCc1ccc(OC)c(OC)c1 219594477 HYEOUGFSTXADFF-IBGZPJMESA-N 371.477 3.919 0 40 FHAB Cc1cc(C)nc(Nc2cccc([C@H]3CCCN(C4CCOCC4)C3)n2)n1 72376062 SXXSKYRAIYIOIL-KRWDZBQOSA-N 367.497 3.590 0 40 FHAB O=C(CN1CCCc2cc(F)cc(F)c21)Nc1ccc(OC(F)F)cc1 36754054 MLQRFWUYEJDGHL-UHFFFAOYSA-N 368.330 3.958 0 40 FHAB CS(=O)(=O)Nc1ccc(C(=O)NC2CCCCCCC2)cc1Cl 30860599 DAHFPWPRQKTAQY-UHFFFAOYSA-N 358.891 3.554 0 40 FHAB Cn1cncc1CN1CCC[C@@H]1c1cncc(Oc2ccc(Cl)cc2)n1 72384447 MCGODIFZVJFVEQ-GOSISDBHSA-N 369.856 3.993 0 40 FHAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCN(C)c3ccccc3)cc2)C1 44916928 MRZKCADAHLSHCG-LJQANCHMSA-N 365.521 3.785 0 40 FHAB OC[C@@]1(Cc2ccccc2)CCCN(Cc2c[nH]nc2-c2ccsc2)C1 568704911 PQIRQOMJKBFFGE-OAQYLSRUSA-N 367.518 3.955 0 40 FHAB CCOc1ccccc1CNC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 44920017 ABUFBAMEIKWFJX-IBGZPJMESA-N 370.468 3.753 0 40 FHAB CN1CC[C@@H](NC(=O)Nc2nc(C3CCC3)cs2)[C@@H]1c1ccccc1 570271106 PMLHXGFSLLPOIZ-WBVHZDCISA-N 356.495 3.978 0 40 FHAB COCc1cccc(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)c1 225188037 VAKPMUGXUZOHRK-UHFFFAOYSA-N 357.431 3.796 0 40 FHAB COc1cccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@@H](C4)[C@H]23)c1O 136495855 ZSRYUSRGJUITDT-KLDWPMRUSA-N 361.488 3.803 0 40 FHAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC2CCCCC2)c1 223931762 BQJBHCIYVZYAAT-UHFFFAOYSA-N 372.490 3.858 0 40 FHAB CCOC(=O)c1cc(NC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)ccc1Cl 225323680 VCODTTBSGKYZEP-HFAKWTLXSA-N 352.887 3.992 0 40 FHAB C1CCN(Cc2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn23)CC1 96319305 DNEJVNQFANWXBY-UHFFFAOYSA-N 357.527 3.640 0 40 FHAB Cc1nc(NS(=O)(=O)c2ccc(Cl)s2)sc1C(F)(F)F 584758995 MBKXGRRJARCEFO-UHFFFAOYSA-N 362.807 3.986 0 40 FHAB O=C1N(CC2CC2)[C@H]2CC[C@@H](c3cnccn3)[C@H]2N1c1cccc(F)c1 257263930 LSCKTQYKDZXJFX-YTQUADARSA-N 352.413 3.583 0 40 FHAB Cc1cccnc1Nc1cc([C@H]2CCCN(Cc3nccn3C)C2)ccn1 257311953 ULTAUWSPZHMNSB-SFHVURJKSA-N 362.481 3.642 0 40 FHAB O=C(NCc1cccc(-c2nccs2)c1)Nc1ccc2c(c1)OCO2 85473083 DUICPQPNQLRAEE-UHFFFAOYSA-N 353.403 3.861 0 40 FHAB CC1=CC(C)(C)N2C(=O)[C@@](O)([C@H]3CCCCCC3=O)c3cc(C)cc1c32 1740816844 YDGOTSBKDOPUKS-KSFYIVLOSA-N 353.462 3.874 0 40 FHAB Clc1cccc(CN2CC3(C[C@H](OCC4CCOCC4)CS3)C2)c1 585105365 VDHIIPZQDFVJPP-SFHVURJKSA-N 367.942 3.843 0 40 FHAB O=C(Nc1cccc(Cl)c1-n1cccn1)c1cc2ccccc2oc1=O 46777423 XLSSHIASPKGEIO-UHFFFAOYSA-N 365.776 3.884 0 40 FHAB Cc1ccc(C(=O)NCc2ccccc2CN2C[C@H](C)O[C@H](C)C2)s1 48344695 OVZXKIHXNOFDIT-GASCZTMLSA-N 358.507 3.596 0 40 FHAB CCOc1cc2c(cc1NC(=O)CSCc1ccccn1)O[C@@H](C)C2 58283557 QIDCQKRQLHQWMC-ZDUSSCGKSA-N 358.463 3.676 0 40 FHAB CC(=O)N1CC2(CCN(C3CCCCC3)CC2)C[C@@H]1Cc1ccccn1 1615192110 RHBODMRWDUSILD-NRFANRHFSA-N 355.526 3.660 0 40 FHAB CN(C(=O)c1cc2c(Cl)cncc2s1)[C@@H](CO)Cc1ccccc1 1615610768 MYJKWLXJAYNIMV-CYBMUJFWSA-N 360.866 3.625 0 40 FHAB Cc1cc(Br)ccc1S(=O)(=O)N(C)Cc1cccs1 227116437 RDLURHVIPFDFSE-UHFFFAOYSA-N 360.298 3.640 0 40 FHAB O=C(/C=C/c1ccc2ccccc2n1)OCC(=O)c1ccc(F)c(F)c1 6120701 PDEBQPZNDRUFQC-CSKARUKUSA-N 353.324 3.952 0 40 FHAB CCOC(=O)/C(=C\c1cc(OC)ccc1OC)P(=O)(OCC)OCC 5848760 OCTRILNQWBBGIR-FOWTUZBSSA-N 372.354 3.874 0 40 FHAB O=S(=O)(Nc1ccn(-c2ccccc2)n1)c1cc(Cl)cc(Cl)c1 12775246 AVWVINPMEHFEND-UHFFFAOYSA-N 368.245 3.980 0 40 FHAB O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(Br)s1 12941870 DMEYSKNMIIMWOW-UHFFFAOYSA-N 365.252 3.655 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Oc2ccc(F)cc2)c1 14396493 YSCOXMQOBADPGQ-JTQLQIEISA-N 351.761 3.672 0 40 FHAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(Br)o1 15860052 MONJNAHEBQBVIF-LBPRGKRZSA-N 367.243 3.592 0 40 FHAB COc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccc(C)cc2C)cc1 15935404 CDTCMDBINOUIJU-IBGZPJMESA-N 367.449 3.947 0 40 FHAB c1ccc(CN(Cc2c[nH]nc2-c2cccs2)C[C@H]2CCCO2)nc1 19401388 NIGFILADEZNRRE-QGZVFWFLSA-N 354.479 3.714 0 40 FHAB COCCC(=O)N1CCC(c2cc(-c3cccc(OC)c3)cc(C)n2)CC1 19690633 RLPZBGASIMUTCT-UHFFFAOYSA-N 368.477 3.808 0 40 FHAB COc1ccc([N+](=O)[O-])cc1/C=C1/S/C(=N\C(C)C)N(C(C)C)C1=O 6324854 LSCRGXFYOPLUJA-UZGJRFSCSA-N 363.439 3.693 0 40 FHAB CCOc1ccc(NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 157348396 LTEDPCMCWNZYQB-UHFFFAOYSA-N 353.205 3.969 0 40 FHAB Cc1cccc2sc(N3CCN(Cc4cc(C5CC5)on4)CC3)nc12 1888914089 ZWANQBMRYCZMEI-UHFFFAOYSA-N 354.479 3.792 0 40 FHAB CC(C)(C)c1cn2nc(C(=O)Nc3ccc(-c4cc[nH]n4)cc3)ccc2n1 1889022085 ONCUVXNDXSJBEA-UHFFFAOYSA-N 360.421 3.669 0 40 FHAB O=S(=O)(NCc1ccnc(-c2cccs2)c1)c1c(F)cccc1F 238838650 HIEAURZLPQRRNC-UHFFFAOYSA-N 366.414 3.567 0 40 FHAB CCn1cc(C(=O)Nc2ccccc2C)c2nn(-c3ccccc3)c(=O)c-2c1 9661430 YZTKDZVQQXUIIJ-UHFFFAOYSA-N 372.428 3.719 0 40 FHAB O=C(Cc1ccc(F)cc1)NCc1ccc([C@H](O)c2ccccc2)s1 207969324 SUWBWNPMSZMIKO-HXUWFJFHSA-N 355.434 3.828 0 40 FHAB CC(=O)OC(C)(C)C(=O)c1ccc(Br)cc1OC(F)(F)F 575362672 WPPPVVLBBXBOMD-UHFFFAOYSA-N 369.133 3.872 0 40 FHAB Cc1ccc(Nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)nn1 36705718 CKBSWKDGENVMPQ-UHFFFAOYSA-N 372.384 3.887 0 40 FHAB CC(C)CN1CCC(C[C@H]2CC(c3cccc(F)c3)=NO2)(C(=O)O)CC1 72389714 KMMIQPCTGLVPSF-QGZVFWFLSA-N 362.445 3.532 0 40 FHAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Br)s1 36875692 RMTBKHOIAQTAFM-CYBMUJFWSA-N 365.296 3.515 0 40 FHAB O=C(C1c2ccccc2Oc2ccccc21)N1CCN(c2ccccn2)CC1 8429832 PDQBXHBOVWPNNK-UHFFFAOYSA-N 371.440 3.668 0 40 FHAB CCN(C(=O)CN1c2cccc3cccc(c23)S1(=O)=O)C1CCCCC1 20751745 PLYCJEKXEIVJHD-UHFFFAOYSA-N 372.490 3.530 0 40 FHAB COc1ccc(NCc2nnc(SCC(=O)c3ccc(C)cc3)o2)cc1 925138 GQPNURAZUKYGDS-UHFFFAOYSA-N 369.446 3.974 0 40 FHAB C[C@@H]1CCCCN1C(=O)COC(=O)c1cccnc1Nc1cccc(F)c1 51744640 ANTNDFCILMSLCR-CQSZACIVSA-N 371.412 3.522 0 40 FHAB CC1CCC(Nc2ncnc3c2nnn3Cc2ccccc2Cl)CC1 1349184 KLBIRVMSAMDSHO-UHFFFAOYSA-N 356.861 3.914 0 40 FHAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NC)cc2c1 4131948 MNFCIIGXTBGHLW-UHFFFAOYSA-N 365.502 3.597 0 40 FHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COc1ncnc2sc3c(c12)CCCC3 102247088 FROSNEFKFCPYPC-VNHYZAJKSA-N 373.522 3.890 0 40 FHAB COc1ccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 6303915 JDIYFCJKHJRRNA-UHFFFAOYSA-N 372.380 3.748 0 40 FHAB CCN(CC)c1ccc(NC(=S)NC(=O)/C=C/c2ccco2)c(C)c1 6629926 XYKRXSDUEGTPGF-PKNBQFBNSA-N 357.479 3.961 0 40 FHAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NC2CC2)[C@H]1c1cccs1 6875913 NYTXQNAIDORCQS-RBUKOAKNSA-N 368.502 3.963 0 40 FHAB Cc1cc(OCC(=O)N(C)Cc2nc(-c3ccccc3)no2)ccc1Cl 7759467 ZQOMQUOIKOUQIV-UHFFFAOYSA-N 371.824 3.736 0 40 FHAB COc1ccc(OC)c(NC(=O)CCCOc2ccc(C(C)=O)cc2)c1 2623165 PKBCZXPNFSNXBL-UHFFFAOYSA-N 357.406 3.704 0 40 FHAB Cc1cccc(-c2nnc(SCC(=O)N(C)c3ccccc3)n2C)c1 2636885 ASNRNMYUDVXNER-UHFFFAOYSA-N 352.463 3.546 0 40 FHAB C[C@H](OC(=O)COc1ccccc1-c1ccccc1)C(=O)NC(C)(C)C 21602554 UIIPTROUERWIDN-HNNXBMFYSA-N 355.434 3.579 0 40 FHAB Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1NS(C)(=O)=O 10357188 ZCSYSTJFUUULSR-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2nc(C)cs2)c1C 10361299 SHGMZSWXMOEDNV-UHFFFAOYSA-N 369.446 3.666 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(C)c1CNCc1ccc2c(c1)OCO2 17309793 FVEVJDYROFHRPY-UHFFFAOYSA-N 353.397 3.647 0 40 FHAB CC1(C)[C@]2(C)CC[C@]1(C(=O)N1CCC(Cc3ccccc3)CC1)OC2=O 100260236 NGYSBZSWLSRIEY-FGZHOGPDSA-N 355.478 3.590 0 40 FHAB O=C(Cc1csc(COc2ccccc2)n1)NCCc1ccccc1 33326162 NZACUPNIASJPJO-UHFFFAOYSA-N 352.459 3.624 0 40 FHAB C[C@H]1CCc2[nH]c3ccc(C(=O)NC[C@H](c4ccco4)N(C)C)cc3c2C1 22130837 CDCDUBVJEDNQIG-VBKZILBWSA-N 365.477 3.918 0 40 FHAB CCc1nc(SCC(=O)NCc2ccco2)c2c3c(sc2n1)CCC3 2890949 QDKFJXCFDMTZSO-UHFFFAOYSA-N 373.503 3.744 0 40 FHAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2cccc(N3CCNC3=O)c2)o1 47041415 TYJSSCGXSZWICE-RPOJPGLXSA-N 351.406 3.585 0 40 FHAB CCOC(=O)c1cc(C)cc(Br)c1NC(=O)[C@H](C)SC 76018061 YYXUQHBSZOYSAH-VIFPVBQESA-N 360.273 3.624 0 40 FHAB CCn1cc(C(=O)N[C@H](C)c2ccccc2OC)c(=O)c2cc(C)ccc21 22234783 WXLVPFBLTZFIAB-OAHLLOKOSA-N 364.445 3.829 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)c1nc(-c2ccc3[nH]ccc3c2)no1 12408885 TXMQILPKCWKDTG-AWEZNQCLSA-N 360.417 3.969 0 40 FHAB CC(=O)c1cccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1 23390758 KRCBTJFHMJKCMK-UHFFFAOYSA-N 359.325 3.589 0 40 FHAB CC(=O)CCc1ccc(OC[C@H](O)Cn2cnc3cc(C)c(C)cc32)cc1 24097752 TTYMZKZJHNRBCH-LJQANCHMSA-N 366.461 3.615 0 40 FHAB COc1ccc(NC(=O)Cc2c(F)c(F)c(F)c(F)c2F)cc1OC 3175955 INPKCEAGGGWSJG-UHFFFAOYSA-N 361.266 3.581 0 40 FHAB O=C(CCc1ccc2ccccc2n1)OCc1cc(F)cc2c1OCOC2 24423772 RRCHBLWWTNEWOH-UHFFFAOYSA-N 367.376 3.916 0 40 FHAB CC(C)c1cnc(CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)o1 78680133 IMDHKRAKFQYSFU-OAQYLSRUSA-N 363.417 3.918 0 40 FHAB CCc1cc(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)sc1C 25326840 KBQAGZCIEOOOOR-UHFFFAOYSA-N 356.491 3.785 0 40 FHAB COc1ccccc1N1CCN(C(=O)Nc2cccc3cccnc23)CC1 43529132 KDIPASRHFCFLBS-UHFFFAOYSA-N 362.433 3.598 0 40 FHAB CCS(=O)(=O)N1c2ccc(C(=O)Nc3c(C)cccc3C)cc2C[C@H]1C 20448976 VJRUVRUSDOBIFD-OAHLLOKOSA-N 372.490 3.656 0 40 FHAB CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1 108813364 BXSZOOAIWGBIAY-CQSZACIVSA-N 365.481 3.868 0 40 FHAB COc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1OC 65086870 RHOYIAUTWSQWNU-MRXNPFEDSA-N 357.450 3.529 0 40 FHAB O=C(NCc1ccncc1)c1ccc(CN2CCCc3ccccc32)cc1 20486030 SWNQMSBLWJGNIV-UHFFFAOYSA-N 357.457 3.964 0 40 FHAB COc1ccc(C(=O)N(C)C)cc1NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 58366234 ZEXSPHAWXHOEDN-CABCVRRESA-N 372.852 3.793 0 40 FHAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)NCCC2=CCCCC2)n1C 3398244 QYQDIDVWMIXZIR-AWEZNQCLSA-N 374.510 3.871 0 40 FHAB C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)NC[C@@H]1CCCO1 3353525 PFWWXYAMMGJVIH-WPRPVWTQSA-N 368.808 3.530 0 40 FHAB CC[C@]1(C)Cc2ccccc2-c2nc(-c3ccccc3)n(CCO)c(=O)c21 2383879 QWRPVSPLIJKIAM-HSZRJFAPSA-N 360.457 3.793 0 40 FHAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3cnn(Cc4ccccc4)c3)c12 36613992 RAEKTAGOOAFNHK-UHFFFAOYSA-N 373.416 3.906 0 40 FHAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3oc(=O)sc3c2)cc1 2497157 XBVXWABJISYJOU-UHFFFAOYSA-N 363.460 3.953 0 40 FHAB Cc1cc(NC(=O)c2sc3nc(C(F)(F)F)cc(C)c3c2N)no1 18195221 RJLCGFDPQKKLTM-UHFFFAOYSA-N 356.329 3.754 0 40 FHAB COc1cccc(CNC(=O)[C@@H](C)CSc2ccc(F)cc2)c1OC 79069179 CFMIXCLXQFSTDF-ZDUSSCGKSA-N 363.454 3.888 0 40 FHAB Cc1ccc(CSCCNC(=O)c2cncc(Br)c2)cc1 12927055 WMIHSNBUJPCBRZ-UHFFFAOYSA-N 365.296 3.816 0 40 FHAB Cn1c(-c2cccnc2)nn(CN2CC=C(c3ccccc3)CC2)c1=S 8708730 HCOFCNIJWSVFRX-UHFFFAOYSA-N 363.490 3.760 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)c2cncc(Br)c2)cc1 13011317 IWTMDEAYIMVCCT-MRXNPFEDSA-N 361.239 3.830 0 40 FHAB Cc1cc2oc(=O)cc(CSC3=NCC(C)(C)CN3)c2cc1Cl 13041429 LCKPKILLGXLCJC-UHFFFAOYSA-N 350.871 3.973 0 40 FHAB Clc1ccc(-n2ncc3c2ncn2c(-c4cccs4)nnc32)cc1 5163358 NUZOTZRZRKNBTR-UHFFFAOYSA-N 352.810 3.845 0 40 FHAB Cc1nc2cc(C(=O)OCC(=O)OC(C)(C)C)ccc2n1-c1ccccc1 5266010 SQAHTLFASRTQTR-UHFFFAOYSA-N 366.417 3.832 0 40 FHAB CN(C)C(=O)c1cccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 25544825 DYBADALPLXKGMW-UHFFFAOYSA-N 374.444 3.704 0 40 FHAB CC1=N/C(=C\c2ccc(OC(C)C)cc2)C(=O)N1c1ccc(C(=O)O)cc1 5343617 OZLBXVWJFBUTBX-UNOMPAQXSA-N 364.401 3.978 0 40 FHAB Cc1ccc2nc(COC(=O)c3cc4c(s3)CC[C@@H](C)C4)cc(=O)n2c1 5429912 ABNCPVJWMYZLSQ-GFCCVEGCSA-N 368.458 3.546 0 40 FHAB O=C(Nc1cc2c(cc1Br)OCCO2)c1cc(F)cc(F)c1 9500815 UDSPKJPQGZUDDC-UHFFFAOYSA-N 370.149 3.751 0 40 FHAB Cc1nnc(SCC(=O)Nc2ccc(F)c(F)c2)n1-c1ccccc1 6623597 HMSXXQWMUVRMNN-UHFFFAOYSA-N 360.389 3.585 0 40 FHAB CCCn1c(=O)c2ccccc2n2c(SCc3ccc(F)cc3)nnc12 6609638 HRXJCUXSIJDUPD-UHFFFAOYSA-N 368.437 3.886 0 40 FHAB O=C(O)CCCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 4860328 UMJMQWSMMAQWAN-HNNXBMFYSA-N 360.797 3.866 0 40 FHAB CCC(C)(C)NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@H](C)C2 7081461 KKMXOERGQNZCFW-AWEZNQCLSA-N 368.477 3.821 0 40 FHAB CCOc1ccc(OCC)c(NS(=O)(=O)c2ccccc2Cl)c1 7055848 SDUHKULYTRBQRX-UHFFFAOYSA-N 355.843 3.938 0 40 FHAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc(C(F)(F)F)cc1 7490461 GOTZQUASKWLRNR-UHFFFAOYSA-N 362.351 3.762 0 40 FHAB C[C@H](OC(=O)c1cc(O)nc2ccccc12)C(=O)c1ccc(F)c(F)c1 16208047 FOEKWNFLEJACKN-JTQLQIEISA-N 357.312 3.647 0 40 FHAB C[C@H](Nc1ncnc2sc3c(c12)CCCC3)[C@@H](O)c1ccc(O)cc1 7982121 IUBNEIJNKCVNQT-APPDUMDISA-N 355.463 3.810 0 40 FHAB CCN1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2C)CC1 16725211 YIPJGBQCLMZSNI-UHFFFAOYSA-N 371.912 3.972 0 40 FHAB CC(C)Cn1cnc2c1C1(CCN(C(=O)N(C)C)CC1)Oc1ccccc1-2 306128168 GSWDAHDUFPWLFY-UHFFFAOYSA-N 368.481 3.571 0 40 FHAB O=C(CSc1nc2ccccc2o1)NCCc1c[nH]c2ccccc12 9583993 MCUBSQPYTKQUIH-UHFFFAOYSA-N 351.431 3.760 0 40 FHAB O=C1S/C(=C/c2cccs2)C(=O)N1Cc1nc(-c2cccs2)n[nH]1 79107306 XEAUJIUNRCTTIJ-YRNVUSSQSA-N 374.472 3.831 0 40 FHAB Clc1cc(Cl)c2nc(CN3CCc4c(ncn4C4CC4)C3)cn2c1 95394562 XQNGKARYNPIYCD-UHFFFAOYSA-N 362.264 3.731 0 40 FHAB O=C(Nc1ccccc1O)c1ccc(S(=O)(=O)c2ccccc2)s1 95965521 MYYIWZOYMZZAIQ-UHFFFAOYSA-N 359.428 3.539 0 40 FHAB O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2CN(Cc3ccco3)C[C@@H]21 306143536 YFBHLAYSUFOAED-HKUYNNGSSA-N 371.483 3.763 0 40 FHAB CC(=O)c1cccc(NC(=O)Nc2cnn(Cc3cccc(F)c3)c2)c1 28303696 SUOQLRGGGMIRAE-UHFFFAOYSA-N 352.369 3.917 0 40 FHAB O=C(Nc1cccc(Cn2cccn2)c1)c1ccc(Br)cc1 32466638 YUFYDYPWTYTSFM-UHFFFAOYSA-N 356.223 3.946 0 40 FHAB COc1cccc(-c2cc(C(=O)Nc3ccccn3)c3c(C)nn(C)c3n2)c1 36616050 FFQSAAUSYCMHKK-UHFFFAOYSA-N 373.416 3.600 0 40 FHAB COc1ccc2ccccc2c1/C=C1/NC(=O)N(Cc2ccccc2)C1=O 409204653 JBVFCZDHVLLPQU-CPNJWEJPSA-N 358.397 3.941 0 40 FHAB Cc1nc(NC(=O)Nc2ccccc2C(F)(F)F)sc1C(=O)N(C)C 32647746 NFTHBDRYHLICQH-UHFFFAOYSA-N 372.372 3.816 0 40 FHAB CCN(CC)C(=O)CCc1ncc(-c2ccc(Br)cc2)o1 224879122 YURIRQQOJWJBFU-UHFFFAOYSA-N 351.244 3.905 0 40 FHAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1OC 43030252 RRYNBELUATUYNW-HZPDHXFCSA-N 357.450 3.965 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccccc2CN2CCCC2)c(C)c1 224791071 RDHBDZBEAXBMFH-IBGZPJMESA-N 366.505 3.983 0 40 FHAB Cc1c(Cl)cccc1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl 223325732 TXGSTZGTGHTDBQ-UHFFFAOYSA-N 373.217 3.537 0 40 FHAB COc1ccc2cc(S(=O)(=O)NCCCc3ccc(F)cc3)ccc2c1 222733600 CZMVNWVNYQLEOE-UHFFFAOYSA-N 373.449 3.899 0 40 FHAB CCOc1ccc(-c2noc(CNC(=S)Nc3cccc(C)c3)n2)cc1 225829660 BFMCYWHRSCZRGD-UHFFFAOYSA-N 368.462 3.930 0 40 FHAB COc1cc(C)c(S(=O)(=O)NCCSC2CCCCC2)cc1C 225794349 GIUVNNHWENSJFY-UHFFFAOYSA-N 357.541 3.656 0 40 FHAB c1cc(CN(Cc2ccc3c(c2)CNCC3)[C@@H]2CC23CCNCC3)cs1 577404389 KOAXMLVMENRPTM-OAQYLSRUSA-N 367.562 3.538 0 40 FHAB Cc1oncc1C(=O)N1CCC2(CC[C@H](N(C)C)c3ccccc32)CC1 96079638 LKLZPRGSPFDNAX-IBGZPJMESA-N 353.466 3.554 0 40 FHAB Cc1csc(Nc2nccnc2[C@H]2CCCN(Cc3cscn3)C2)n1 257319752 VTYHOVBEMFGRKG-ZDUSSCGKSA-N 372.523 3.821 0 40 FHAB CC(=O)N1[C@@H]2CN(C(=O)c3cc4ccccc4o3)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257229356 FXTSPJLHRRQHEK-QRXQEZHUSA-N 366.461 3.827 0 40 FHAB Cc1cc([C@H](O)CCNC(=O)NCc2cccc3ccccc23)c(C)o1 85562107 SUMXFOUBNHGASH-HXUWFJFHSA-N 352.434 3.973 0 40 FHAB Cc1nnc(NC(=O)NC2(c3cccc(OC(F)(F)F)c3)CC2)s1 653920948 ASTRBZNDSCQOPV-UHFFFAOYSA-N 358.345 3.556 0 40 FHAB COc1ccc(NC(=O)c2cc(C(F)(F)F)cnc2O)cc1OC(C)C 635814449 GMSDPSGRRSSRSQ-UHFFFAOYSA-N 370.327 3.854 0 40 FHAB Clc1cccc(N2CCN(Cc3nnc(-c4ccccc4)o3)CC2)c1 54105851 VDSIEVGSPGDSNL-UHFFFAOYSA-N 354.841 3.712 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)N3CC4C[C@H]5CC3C[C@@H](C4)C5)ccc21 62379075 UDWXYYSYHNOACA-JOUKPKRSSA-N 353.466 3.638 0 40 FHAB O=C(NC1CCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 5260275 MQYMEGWIEIMUAG-UHFFFAOYSA-N 358.463 3.550 0 40 FHAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1cccc2ccccc12 5933436 VMGUCBPDGFTSET-SFHVURJKSA-N 353.491 3.501 0 40 FHAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(=O)n(Cc2ccccc2)n1 11781274 DKZIXYCKAIRKBA-UHFFFAOYSA-N 374.227 3.851 0 40 FHAB Cc1cc2nc(C3CCN(C(=O)C(C)(C)C)CC3)cc(C(F)(F)F)n2n1 13226832 FUPLSQDZXNAAGR-UHFFFAOYSA-N 368.403 3.809 0 40 FHAB Cc1ccccc1OCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 14228415 HYEZIGDGDPOTOK-GFCCVEGCSA-N 372.490 3.688 0 40 FHAB C[C@@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1ccc(F)cc1F 15822232 HATKYGQSAFILAL-SECBINFHSA-N 362.357 3.759 0 40 FHAB COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)CCc2ccccc2)cc1 16136724 SXZNDLZRGYRLDS-HXUWFJFHSA-N 369.461 3.827 0 40 FHAB Cn1nc(C2CCN(C(=O)c3ccncc3)CC2)cc1-c1cccc(F)c1 19288863 LXLOEOVZQGOGCY-UHFFFAOYSA-N 364.424 3.641 0 40 FHAB CCc1c(C(=O)Nc2ccc(OC(F)F)cc2)cnn1-c1ccccn1 19911005 HLVMSYKHICBVNF-UHFFFAOYSA-N 358.348 3.683 0 40 FHAB CCOc1cccc(/C=C2\C(=O)N(Cc3ccco3)SC2=S)c1O 1571920 JJYRFMXXSYLCBK-UKTHLTGXSA-N 361.444 3.785 0 40 FHAB COc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)c(OC)c1 7342847 OPAGOICRONOQSZ-SXGWCWSVSA-N 356.403 3.798 0 40 FHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)[C@H]1CCCc2ccccc21 29257506 MNFDMTRHKBXGCA-IBGZPJMESA-N 357.475 3.548 0 40 FHAB C[C@H](c1nc(C(C)(C)C)no1)N(C)CC(=O)Nc1ccccc1Cl 31001480 LZGWXIYOBGVRFS-LLVKDONJSA-N 350.850 3.652 0 40 FHAB CCn1ncc(Br)c1C(=O)Nc1nc(C(C)(C)C)cs1 28227707 QTMBWDXFLKBDRR-UHFFFAOYSA-N 357.277 3.672 0 40 FHAB Cc1noc([C@H]2CN(C(=O)NCc3cccs3)C[C@@H]2c2ccccc2)n1 238971838 ZMGSEPJJIWDOSA-SJORKVTESA-N 368.462 3.532 0 40 FHAB COc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2C)CC1=O 4033577 CBZXQXNRQRDXJL-GFCCVEGCSA-N 355.825 3.756 0 40 FHAB CC(C)C(=O)N1CCCc2ccc(NC(=O)COc3ccccc3F)cc21 5136411 ZJNBOCSLTOZGDY-UHFFFAOYSA-N 370.424 3.778 0 40 FHAB Cc1ccc(CSc2nc(CC(=O)NCc3ccncc3)cs2)cc1 8936771 MCGPXRAZUWRJIG-UHFFFAOYSA-N 369.515 3.998 0 40 FHAB CCCN1C(=O)CCc2cc(NC(=O)COc3ccc(C)cc3)ccc21 9107281 TWNZVSOHBNVLPZ-UHFFFAOYSA-N 352.434 3.702 0 40 FHAB C[C@@H]1C[C@@H](C)CN([C@@H](c2ccc(F)cc2)c2sc3ncnn3c2O)C1 22609670 WKCKYDHEKIQGKJ-JMSVASOKSA-N 360.458 3.703 0 40 FHAB Cc1cccc(NC(=O)N[C@H](C)[C@H](c2cccs2)N2CCOCC2)c1 23182633 ZGNNSNHCOUGADA-CRAIPNDOSA-N 359.495 3.640 0 40 FHAB CCOc1ccccc1C(=O)NC[C@H]1CCCN1c1nc2ccccc2o1 206771330 YMLVMGBMDXRUJD-OAHLLOKOSA-N 365.433 3.625 0 40 FHAB COc1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1F 2618029 TUTZKAQTSPMEBI-UHFFFAOYSA-N 360.366 3.905 0 40 FHAB in-vivo O=C(CCCSc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1 40159615 DMGIHXRJURXCAB-UHFFFAOYSA-N 368.502 3.544 0 40 FHAB CCc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)NC2CCCCC2)cc1 40149028 LUNSQODAUWRJCX-UZLBHIALSA-N 371.525 3.933 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O 20894545 HJGDGQKQNAMSJW-UHFFFAOYSA-N 371.799 3.650 0 40 FHAB CC(=O)Nc1cccc([C@@H](C)NS(=O)(=O)c2cccc(Cl)c2C)c1 32417344 FSDJLDIKPKLFAD-GFCCVEGCSA-N 366.870 3.646 0 40 FHAB CCSc1nnc(NC(=O)CSc2cccc3cccnc23)s1 3671658 XJNPDCLKOMMHOQ-UHFFFAOYSA-N 362.505 3.929 0 40 FHAB CCc1ccc(OS(=O)(=O)c2cc(OC)c(Cl)cc2OC)cc1 32602230 RXYPLMGKHVJPDS-UHFFFAOYSA-N 356.827 3.687 0 40 FHAB CC(C)c1ccccc1NC(=O)CSc1nc2ccccc2c(=O)[nH]1 6313639 NUBOPYJTAOFRRZ-UHFFFAOYSA-N 353.447 3.777 0 40 FHAB CO[P@]1(=O)Oc2ccccc2C(=O)C(C(F)(F)F)(C(F)(F)F)O1 6403294 RARJHOZZASATBD-HSZRJFAPSA-N 364.134 3.896 0 40 FHAB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2F)SC1=S 6563807 OWMQVEWJZKQCLW-OXBCTQFSSA-N 353.440 3.526 0 40 FHAB O=S1(=O)CC[C@@H](NCc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1 11915352 DTXJGXKOFBPJKV-LLVKDONJSA-N 360.262 3.530 0 40 FHAB O=C(O)/C(=C/c1ccc2c(c1)OCCO2)Sc1nc2ccccc2o1 7603001 GWBHGLUNHGQEFX-YBEGLDIGSA-N 355.371 3.817 0 40 FHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)CCC(=O)N3)cc1C 32841159 YWTBQSUUEKESPO-CQSZACIVSA-N 351.402 3.616 0 40 FHAB O=C(CNc1ccccc1Cl)Nc1cc(Cl)ccc1-n1cncn1 21698182 KTSAAUSFDBPOEF-UHFFFAOYSA-N 362.220 3.625 0 40 FHAB Cc1cccc(N(CCCC(=O)Nc2cccc(C)c2C)S(C)(=O)=O)c1 8494410 BSDMQHRNXUELET-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCCCC(=O)c1ccc(F)cc1 8656498 DSOMFUOYEHCPEC-XMHGGMMESA-N 369.392 3.509 0 40 FHAB Cc1ccc(C(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)c(C)c1 32924936 BOCRZAMQJAJBMK-UHFFFAOYSA-N 364.489 3.657 0 40 FHAB CCCc1cc(=O)[nH]c(SCc2nc(-c3ccccc3Cl)no2)n1 9669914 RRSKVLDPLUCIOT-UHFFFAOYSA-N 362.842 3.718 0 40 FHAB COc1cccc([C@@H]2CC(=O)Nc3nc(N)sc32)c1OC1CCCC1 12371655 RXGDDEKAYHPZHI-LBPRGKRZSA-N 359.451 3.529 0 40 FHAB O=C(C[C@]1(O)C(=O)Nc2ccc(Cl)cc21)c1ccc2ccccc2c1 783781 FSBCJCVPYTXNAK-HXUWFJFHSA-N 351.789 3.906 0 40 FHAB COc1cc(OC)c(NC(=O)CCOc2ccc(F)cc2)cc1Cl 24639836 VQLIZVOQNZAVQR-UHFFFAOYSA-N 353.777 3.904 0 40 FHAB O=C1SCCN1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22916425 DKSRIEMOGSVKQA-UHFFFAOYSA-N 367.518 3.520 0 40 FHAB Cc1ccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)cc1C 955257 SQZXHVAPLWSDHT-UHFFFAOYSA-N 354.837 3.777 0 40 FHAB CC[C@@H](NC(=O)c1ccc(N(CC)S(C)(=O)=O)cc1)c1ccc(C)cc1 20488839 RZNDGXVXDYCSQU-LJQANCHMSA-N 374.506 3.662 0 40 FHAB O=C1c2cccc3cccc(c23)N1CN1CCN(c2ccccc2F)CC1 24303318 IHCSCYALNPWWMF-UHFFFAOYSA-N 361.420 3.719 0 40 FHAB C[C@@H](CC(=O)O)CC(=O)N1CCC[C@@H]1c1cccc(Br)c1 61836593 GAGDNJPNMJPFLX-BXUZGUMPSA-N 354.244 3.614 0 40 FHAB C[C@H](NC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1cc2ccccc2o1 43418913 VQCKDTVXGYGXIV-LBPRGKRZSA-N 358.419 3.719 0 40 FHAB CC(C)C(=O)Nc1cccc(CNC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 106861160 OMQOOZXNBXVCBY-RIVXBTQJSA-N 357.498 3.905 0 40 FHAB Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(N2CCCC2)cn1 25668218 IWCIQBYGGDCTFW-UHFFFAOYSA-N 350.344 3.656 0 40 FHAB C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1c(F)cccc1F 12553030 DYTBEUIBWLWAES-GFCCVEGCSA-N 359.376 3.531 0 40 FHAB O=C(Cn1ccnc1)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 12535542 CHCAKICCSSBHOC-INIZCTEOSA-N 360.373 3.600 0 40 FHAB CCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(Cc1cccnc1)C3 57128894 ULDMQVFOVXUIHV-UHFFFAOYSA-N 356.809 3.756 0 40 FHAB COCc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2ccccc12 26936608 QVQRXVZXQYYQRR-UHFFFAOYSA-N 368.408 3.681 0 40 FHAB CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1 2053709 HVUPOHFZUUGNHO-UHFFFAOYSA-N 356.447 3.770 0 40 FHAB COc1ccc(NC(=O)NC(=O)COc2cc(Cl)cc(Cl)c2)cc1 23501574 XMSHCPKCQIDZDA-UHFFFAOYSA-N 369.204 3.729 0 40 FHAB CC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1 3291108 SWHWMHFLYZVEFQ-UHFFFAOYSA-N 365.307 3.704 0 40 FHAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ncn(Cc2ccccn2)n1 58230957 OMUPBTMCPFLIIE-UHFFFAOYSA-N 369.428 3.570 0 40 FHAB O=C(CSc1nnnn1-c1ccc2ccccc2c1)Nc1ccccc1 10382158 HHNOPTKEHUNRRW-UHFFFAOYSA-N 361.430 3.546 0 40 FHAB COc1ccc(OCC(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1 28580658 PZOJKYVKKYNGIS-UHFFFAOYSA-N 364.445 3.751 0 40 FHAB CCSc1nc(NCCCO)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2415777 NSSSEGUHXVLWBO-KRWDZBQOSA-N 367.540 3.839 0 40 FHAB COc1cc(OC)nc(NC(=O)CSc2c(Cl)cccc2Cl)n1 11286754 WWJMVQQKYQAQEL-UHFFFAOYSA-N 374.249 3.531 0 40 FHAB CN(C)[C@H](CNC(=O)c1ccccc1OC(F)F)c1ccccc1Cl 29050523 FUDUHTWPEQEONW-OAHLLOKOSA-N 368.811 3.974 0 40 FHAB COc1ccc(N)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 19736167 HAQHRYSSNZJCQY-SECBINFHSA-N 355.221 3.990 0 40 FHAB Cc1cccc(OCC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1C 12884839 KPCZZGXBELSSLS-GOSISDBHSA-N 366.461 3.560 0 40 FHAB CCc1cccc(CC)c1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 12887708 HWTHYDKSQCESEJ-UHFFFAOYSA-N 364.445 3.713 0 40 FHAB CC(C)CCCCCCn1c(SCC(N)=O)nc2ccccc2c1=O 3542068 GDMGNIFJIJPPNM-UHFFFAOYSA-N 361.511 3.580 0 40 FHAB O=C(COc1ccccc1)Nc1ccc(-n2cc(Br)cn2)cc1 27918244 JOSPPIYXQRKTLM-UHFFFAOYSA-N 372.222 3.652 0 40 FHAB C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc2c(c1)OCO2 6063812 KUAIEKCFRUHWAI-PXRHCINRSA-N 371.433 3.502 0 40 FHAB CCCn1c(=O)c2ccccc2n2c(SCc3ccccc3)nnc12 8747483 ONRCIAOLRTZJDE-UHFFFAOYSA-N 350.447 3.747 0 40 FHAB CC(=O)c1csc(NC(=O)COc2ccccc2Cc2ccccc2)n1 14185537 AXOCHJIPOZFSBW-UHFFFAOYSA-N 366.442 3.954 0 40 FHAB Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)oc2ccccc12 4581860 YZALHJXIEDCJQT-LLVKDONJSA-N 358.781 3.974 0 40 FHAB CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(C(=O)O)cc2)c1 4562448 CQXXKDFLWAXKMM-UHFFFAOYSA-N 372.446 3.546 0 40 FHAB COc1ccccc1-c1nnc2n1N=C(c1ccccc1Cl)CS2 5562629 UUTWBHDUXLLKGS-UHFFFAOYSA-N 356.838 3.965 0 40 FHAB Nc1c(C(=O)NCc2ccccc2)sc(=S)n1Cc1ccccc1 6724075 NZRVKTVWOLBNAS-UHFFFAOYSA-N 355.488 3.840 0 40 FHAB COC(=O)c1cn(CC(=O)Nc2ccc(Cl)cc2F)c2ccccc12 6832015 UGYYPCNPPXWONY-UHFFFAOYSA-N 360.772 3.859 0 40 FHAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)N(C)c1ccccc1 4936846 DBRXBCQJSKCLEL-CYBMUJFWSA-N 370.453 3.765 0 40 FHAB CSc1ccccc1NC(=O)[C@H](C)Oc1ccc2ccc(=O)oc2c1 9085257 RPWBNNFRZQWMEE-LBPRGKRZSA-N 355.415 3.921 0 40 FHAB Cc1ccc(NC(=O)Cc2nnc(S)n2-c2ccccc2)cc1Cl 9095763 YHDJAPZJGLVZKO-UHFFFAOYSA-N 358.854 3.699 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 7655465 IDNWPVRAWXUXPF-OAHLLOKOSA-N 372.852 3.644 0 40 FHAB O=C(Nc1ncn(Cc2ccccc2)n1)[C@H]1CCCC[C@H]1C(F)(F)F 68379048 VDKKMIIBEIISAR-UONOGXRCSA-N 352.360 3.634 0 40 FHAB COc1ccc(C)cc1NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O 7950657 KQOCLFFDZBBPBZ-LJQANCHMSA-N 350.418 3.906 0 40 FHAB Cc1cc(C(=O)O[C@H](C)C(=O)NC2CCCC2)c(C)n1Cc1ccccc1 16695191 ABOKGYMTHSFRKK-QGZVFWFLSA-N 368.477 3.757 0 40 FHAB CCCn1c(SCCOc2ccc(OC)cc2)nc2ccccc2c1=O 8195100 AGMJQTQKBCNQQZ-UHFFFAOYSA-N 370.474 3.986 0 40 FHAB O=C(CCN1CCSC1=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 8114378 NBWRBVQDWMFHGQ-UHFFFAOYSA-N 373.405 3.521 0 40 FHAB CC[C@H](Sc1nccn1-c1cccc(F)c1)C(=O)Nc1cc(C)on1 9319476 ACQOTONCPBZBAA-AWEZNQCLSA-N 360.414 3.817 0 40 FHAB Cc1cc(NC(=O)c2ccc3c(c2)CCC(=O)N3)ccc1Br 9836566 KTDHCHDBZCFKSV-UHFFFAOYSA-N 359.223 3.895 0 40 FHAB COc1ccc(-c2ncc(C(=O)Nc3cccnc3N(C)C)s2)cc1 79697022 CREOGDAACQZIFW-UHFFFAOYSA-N 354.435 3.532 0 40 FHAB CCc1nc(C)sc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 72404995 AOPQKLOKDVHGQH-UHFFFAOYSA-N 364.898 3.791 0 40 FHAB Cc1cc(OCC(=O)NCC2([C@H](O)c3ccccc3)CC2)ccc1Cl 89587682 AYZNOIAOZCBECX-LJQANCHMSA-N 359.853 3.657 0 40 FHAB O=S(=O)(Nc1nccs1)c1ccc(OCC2CCCCC2)cc1 89793249 KKMGOEWZCSWCSH-UHFFFAOYSA-N 352.481 3.903 0 40 FHAB CCOc1cc(/C=C(/C)[N+](=O)[O-])ccc1OC(=O)c1ccc(OC)cc1 408537301 VCFCTKORJNUFIH-QBFSEMIESA-N 357.362 3.951 0 40 FHAB CC(C)c1ccc(-c2nc(C(=O)N(C)[C@@H]3CCC(=O)N(C)C3)cs2)cc1 552667273 WVIXMRDGDGGFCC-MRXNPFEDSA-N 371.506 3.626 0 40 FHAB Cc1ccc(OCCNC(=O)C2(c3ccccc3)CCOCC2)c(C)c1 32712605 FNQVHWVGULJOGG-UHFFFAOYSA-N 353.462 3.547 0 40 FHAB CN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)N(C)C1=S 409046566 KQVNJIJDCGTYLN-BOPFTXTBSA-N 372.877 3.949 0 40 FHAB CCc1ccc(NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 409380278 AXXVQURPQGMBFF-MRXNPFEDSA-N 374.506 3.659 0 40 FHAB Nc1nnc(-c2ccc3oc(-c4ccccc4Br)nc3c2)o1 216828165 ITCVDMIVQMWUTM-UHFFFAOYSA-N 357.167 3.890 0 40 FHAB Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(C(=O)c3ccnn3C)C2)n1 72354081 MSPXGWASHAZYOJ-FQEVSTJZSA-N 374.488 3.734 0 40 FHAB C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCCSCc2ccccc2)c1 32914233 FFFALALSOWYCEZ-KXBFYZLASA-N 368.502 3.944 0 40 FHAB CC(C)c1ccc(CCNC(=O)c2cccc(CN3CCOCC3)c2)cc1 38755822 VKGCXCUUQDECQH-UHFFFAOYSA-N 366.505 3.615 0 40 FHAB O=C(O[C@@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1 6582254 FBOUYBDGKBSUES-YADHBBJMSA-N 362.473 3.865 0 40 FHAB biogenic,in-man Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)O)c(Cl)cc1Cl 32601573 NANVUFZGQBJTQW-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cnc(-c3ccccc3)nc2C)cc1 75437307 VJYBQVGMFFUOOC-UHFFFAOYSA-N 361.401 3.881 0 40 FHAB CCn1c(CNC(=O)c2ccc(Br)cc2)nc2ccccc21 32740958 XLMAFBJLKCVEHE-UHFFFAOYSA-N 358.239 3.749 0 40 FHAB Cc1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 72331212 OHFDEDGKBSYHKH-UHFFFAOYSA-N 359.267 3.720 0 40 FHAB CC[C@@H](C)[C@@H](CO)NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 36575446 FPZROPSTXSNIAG-IAQYHMDHSA-N 352.887 3.529 0 40 FHAB Cc1cc(OS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc(C)c1Cl 35170663 XXILJKMNCLCHNR-UHFFFAOYSA-N 364.806 3.831 0 40 FHAB Cc1ccc2c(c1)OC=CC(C(=O)Nc1ccc(N3CCOCC3)cc1)=C2 33321301 XUZHYBWDPDHSFB-UHFFFAOYSA-N 362.429 3.760 0 40 FHAB OC[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 77273382 TUPSTLDQFNUXKF-FQEVSTJZSA-N 350.414 3.870 0 40 FHAB in-vitro CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1OC)c1ccc(OC)c(OC)c1 219504627 MCQVNBIAVRJSCO-GOEBONIOSA-N 373.449 3.747 0 40 FHAB c1cncc(CN2CCCC[C@@H]2c2ccnc(Nc3nccs3)n2)c1 72377649 OALCCQIWKPEIMH-MRXNPFEDSA-N 352.467 3.799 0 40 FHAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)NCC(C)C)ccc32)c1 46078627 DCWZSXFQOZWTQU-UHFFFAOYSA-N 350.462 3.974 0 40 FHAB CC1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cccc2ccccc12 71979879 APWXEBGHRPLRSJ-TUVDCLKLSA-N 353.418 3.672 0 40 FHAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1F 225102463 HFKSAMIMGLELNO-HXUWFJFHSA-N 370.468 3.702 0 40 FHAB CCO[C@](C)(C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1)C1CC1 225835689 AWLDPRBPFDEVQD-XCLFUZPHSA-N 363.454 3.794 0 40 FHAB CSc1ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1NC(C)=O 225109370 UTJYMBNAQAMJCD-UHFFFAOYSA-N 372.556 3.860 0 40 FHAB C[C@H](Cc1ccc(Br)cc1)NC(=O)Cc1ccccc1F 40108501 YXUZOTNYZJFJJZ-GFCCVEGCSA-N 350.231 3.878 0 40 FHAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc[nH]1 224555121 SPDJOTPWTZGFBO-ROUUACIJSA-N 350.447 3.595 0 40 FHAB COc1ccc(NC(=S)NCCCN2CCC(C)CC2)c2cccnc12 225438260 QNCFRXMGAQUZJN-UHFFFAOYSA-N 372.538 3.652 0 40 FHAB CCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCC(C)CC1 226277193 RBIFRCJWNHSOHM-UHFFFAOYSA-N 358.360 3.600 0 40 FHAB CN(C)C(=O)C[C@@H]1CC2(CCN(Cc3ccco3)CC2)c2ccccc21 96161222 JVNLUOXIEWPNOD-QGZVFWFLSA-N 352.478 3.779 0 40 FHAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)cc1Cl 96344850 KGIDGOVYNBWLNW-LBPRGKRZSA-N 368.824 3.516 0 40 FHAB COc1ccc(CN2CC[C@@]3(C2)C(=O)N(CC2CC2)c2ccccc23)cc1 96100331 LDBSWOLVSXXEFB-QHCPKHFHSA-N 362.473 3.596 0 40 FHAB Fc1ccccc1-c1cncc([C@H]2CN(CCc3ccccc3)CCO2)n1 257202522 AMFFKADDZWISTI-JOCHJYFZSA-N 363.436 3.899 0 40 FHAB Cc1nc(Nc2ccccn2)cc([C@@H]2CCCN(Cc3cscn3)C2)n1 257310059 UDNDINUQVASENL-OAHLLOKOSA-N 366.494 3.760 0 40 FHAB CNc1cccc([C@@H]2CN(C(=O)c3cc4ccccc4s3)CCO2)n1 257234334 GTAPVQQFMQKTCG-HNNXBMFYSA-N 353.447 3.552 0 40 FHAB CC1(C)O[C@@H]2C[C@@]3(C)C(=O)CC[C@H]3[C@H]3CC[C@H]4C[C@@H](O)C[C@@H](O1)[C@]4(C)[C@H]23 257350580 YOMKZERBLMKYST-ZDFKJDPZSA-N 362.510 3.699 0 40 FHAB O=C(NC[C@]1(O)CCc2ccccc2C1)Nc1ccccc1C(F)(F)F 85560624 WFEZOOWZRJZNIN-SFHVURJKSA-N 364.367 3.747 0 40 FHAB O=S(=O)(c1cccs1)N(CCc1cccs1)Cc1ccoc1 90612379 IUDAHRKLADSCML-UHFFFAOYSA-N 353.490 3.836 0 40 FHAB O=C(c1cccc(Cl)c1)N1CC(Oc2nc3c(F)cccc3s2)C1 90593924 GQMSSDUMJKEGII-UHFFFAOYSA-N 362.813 3.992 0 40 FHAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H]2C[C@H](O)C23CCC3)c1 666475543 GBYSIQFPTHGLSD-GJZGRUSLSA-N 365.861 3.504 0 40 FHAB COc1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)ccc1N1CCCC1=O 67032422 MMVUONPLOGIXQK-IAGOWNOFSA-N 368.408 3.703 0 40 FHAB C[C@H]1CN(C(=O)C2(c3ccccc3)CCOCC2)C[C@@H](c2ccccc2)O1 62514600 WYZNSIFRAOLJKH-RXVVDRJESA-N 365.473 3.723 0 40 FHAB O=c1/c(=C\c2ccccc2Cl)sc2nnc(-c3ccccc3Cl)n12 715033 JBAXVIDVAWGFJI-NTEUORMPSA-N 374.252 3.673 0 40 FHAB O=C1C[C@@H]2CCN(Cc3cccs3)C[C@@H]2CCOc2ccccc2N1 1534646984 ZZQDYKNZVAFSOF-HOTGVXAUSA-N 356.491 3.998 0 40 FHAB CCCC[C@@H](CNC(=O)OC(C)(C)C)O[C@@H](Cc1ccccc1)C(=O)O 1570003529 YAUNBQXPKXUMQZ-IRXDYDNUSA-N 365.470 3.782 0 40 FHAB C[C@H](Nc1ccc2c3c(cccc13)C(=O)N(CCO)C2=O)c1ccccc1 5355095 DQWJJPVGSHRAIE-AWEZNQCLSA-N 360.413 3.601 0 40 FHAB CCCSc1ncc(CN(C)Cc2cc(O)nc3ccccc23)cn1 12188463 FVUCMDIQGBTOBD-UHFFFAOYSA-N 354.479 3.865 0 40 FHAB Cc1cccc(NC(=O)CNC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1C 12875937 DECVFUSBFIUUJT-GFCCVEGCSA-N 356.491 3.858 0 40 FHAB O=C(Nc1cccnc1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 15826827 IZQPLKPARCYQFD-UHFFFAOYSA-N 365.458 3.899 0 40 FHAB CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)Cc1ccc(F)cc1 19589234 CUMLGBCTGGAKLE-KCZVDYSFSA-N 370.443 3.596 0 40 FHAB CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)C1 19691440 XVDUYKNOYZDYIC-CYBMUJFWSA-N 371.403 3.818 0 40 FHAB CCN(CC)C(=O)c1ccc(NC(=O)C2(COC)CCC2)cc1Cl 585080877 DSCDHBQYTRRSEX-UHFFFAOYSA-N 352.862 3.577 0 40 FHAB C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)NCc1ccc2c(c1)OCO2 4524279 BPXKULXTQPWDSP-SNVBAGLBSA-N 368.216 3.806 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc2c(C)nn(C)c2s1 10776995 UQTWYAOBWDTMCB-UHFFFAOYSA-N 365.462 3.998 0 40 FHAB CSc1ccc(/C=C/c2nc3ccccc3c(=O)n2CCC(=O)O)cc1 29736957 IMDXQEPZWCIGSV-DHZHZOJOSA-N 366.442 3.764 0 40 FHAB CC(C)c1ccc(NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)cc1 5797249 BEYUDZDDMFWURJ-UHFFFAOYSA-N 361.401 3.905 0 40 FHAB CN(C)[C@@H](CNC(=O)COc1ccccc1F)c1cccc2ccccc12 10330512 CTHUKAPNDFPQMA-FQEVSTJZSA-N 366.436 3.777 0 40 FHAB COCCO[C@@H]1CCN(Cc2cccc(OC)c2)[C@H]1Cc1ccccc1 2055719465 KLKUTVVTYPLICG-FCHUYYIVSA-N 355.478 3.544 0 40 FHAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C)cc1 3360812 CDVDRTCDGWUXHY-UHFFFAOYSA-N 370.268 3.957 0 40 FHAB Cc1ccc(NC(=O)CSc2nc(O)c3c(C)cc(C)nc3n2)c(C)c1 11024158 JNSBFTJRAKZUGU-UHFFFAOYSA-N 368.462 3.695 0 40 FHAB C[C@@H](C1CC1)N(C)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 40105018 DUCMKMOLZKGEJZ-ZDUSSCGKSA-N 350.484 3.665 0 40 FHAB COc1ccccc1C(=O)Nc1ccc(O)c(-c2nc3cnccc3o2)c1 32089078 RGDOOTORUMKCGL-UHFFFAOYSA-N 361.357 3.856 0 40 FHAB O=C(NCCc1ccc(Cl)cc1)NC[C@H](O)c1ccc(Cl)cc1 29317030 DCFVFCJNXSHOOX-INIZCTEOSA-N 353.249 3.569 0 40 FHAB CCOC(=O)[C@H](CC)Sc1nnc2c3cc(CC)ccc3n(C)c2n1 1366157 FQBKFDIWSIJDOP-AWEZNQCLSA-N 358.467 3.513 0 40 FHAB CCOC(=O)c1csc(-c2ccc(COC(=O)c3ccccc3)o2)n1 1580425 UCKOUOQQQRABSM-UHFFFAOYSA-N 357.387 3.937 0 40 FHAB Cc1cccc(C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1C 2652462 GFMMVFKAEQSYHC-UHFFFAOYSA-N 367.323 3.998 0 40 FHAB Cc1cccc(-c2nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)n2C)c1 3400360 LHOYIOQPXPWULR-HOCLYGCPSA-N 358.511 3.578 0 40 FHAB CC(C)C[C@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NC(C)(C)C 4902196 MBEUTCPACXIJDU-QMMMGPOBSA-N 367.298 3.936 0 40 FHAB COc1cc(OC)c(NC(=S)Nc2ccc3c(c2)OCO3)cc1Cl 6951073 NSTNPNHIPZZJQC-UHFFFAOYSA-N 366.826 3.895 0 40 FHAB Cc1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)c(C)c1 11916855 DRLZTHSCUKZLBK-UHFFFAOYSA-N 350.374 3.982 0 40 FHAB CCCC[C@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2ON1c1ccccc1 101065686 PRSOMMYGWKCUOK-FHWLQOOXSA-N 350.418 3.555 0 40 FHAB CC(C)c1ccc(CS(=O)(=O)[C@H](C)C(=O)N(C)Cc2ccccc2)cc1 32929686 HWVJTEDHVVXQQJ-QGZVFWFLSA-N 373.518 3.772 0 40 FHAB CC(=O)N[C@H](CC(=O)Nc1cc(F)ccc1F)c1ccccc1Cl 32922408 QPXMCMAWHDNIAQ-OAHLLOKOSA-N 352.768 3.824 0 40 FHAB Cc1ccc(OCC(=O)NCc2ccccc2CN2CCCCC2)c(C)c1 10281097 GCVAJNPRPFPWDA-UHFFFAOYSA-N 366.505 3.985 0 40 FHAB CC[C@@H]1CCc2c(sc3ncn4nc([C@H](C)n5cc(C)cn5)nc4c23)C1 2803480 DPSFTDMITHKXLU-QWHCGFSZSA-N 366.494 3.968 0 40 FHAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cc(Cl)cc(Cl)c1 22462253 NKRWZRXDDWGDML-UHFFFAOYSA-N 371.308 3.758 0 40 FHAB C[C@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]12 100174660 TZAFNFPJXKADMZ-CZPYZCIJSA-N 371.742 3.582 0 40 FHAB O=C(NCCCOCc1ccco1)c1cc2c(nc3sccn32)s1 54229996 ULPWGRYDTAOITO-UHFFFAOYSA-N 361.448 3.540 0 40 FHAB COc1ccc2c(Cl)c(-c3nnc(SCC(=O)O)n3C)sc2c1 935568 BMPYBMKZZNGUPP-UHFFFAOYSA-N 369.855 3.536 0 40 FHAB O=C1Nc2ccccc2[C@]12Oc1ccccc1[C@H]1CC(c3ccco3)=NN12 1265001 BEZSJOPYXMZJRL-UTKZUKDTSA-N 357.369 3.628 0 40 FHAB Cc1ccc(Cl)cc1N1CCN(Cc2nnc(-c3ccco3)o2)CC1 57363707 UDILUNPYCSKAQM-UHFFFAOYSA-N 358.829 3.614 0 40 FHAB Cc1ccc(C(=O)c2ccccc2C(=O)NC[C@H]2CCCOC2)cc1C 55924132 ZUOUWELLGJSTOL-QGZVFWFLSA-N 351.446 3.691 0 40 FHAB Cc1sc2nc(CN3CCOCC3)nc(NCc3ccccc3)c2c1C 25777859 UYRTZCSJQOLYKQ-UHFFFAOYSA-N 368.506 3.752 0 40 FHAB O=C(Nc1ccc(F)c(F)c1F)c1cccc(OC[C@H]2CCCO2)c1 26337490 FPDKBJQXUCBKKX-CYBMUJFWSA-N 351.324 3.914 0 40 FHAB COc1cccc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)c1 1941377 BKCFMDMKPQLXBY-UHFFFAOYSA-N 353.296 3.510 0 40 FHAB CN(C(=O)c1ccccc1SCC(=O)N1CCCC1)c1ccccc1 27176590 LAPKOEDPIJAOQI-UHFFFAOYSA-N 354.475 3.678 0 40 FHAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NCc1ccc(C(F)(F)F)cc1 10274999 WXADYJOHRJZRTP-CYBMUJFWSA-N 374.362 3.837 0 40 FHAB Cc1ccc(CN(Cc2ccco2)C[C@H](O)COCc2ccco2)s1 36101070 HDWSYWYAGJPRFF-INIZCTEOSA-N 361.463 3.822 0 40 FHAB Cc1ccccc1NC1CCN(C(=O)NCc2ccc3c(c2)OCO3)CC1 58371014 QISBJIBVZINXND-UHFFFAOYSA-N 367.449 3.510 0 40 FHAB O=C1N(CCc2ccccc2)c2ccccc2[C@@]1(O)c1c[nH]c2ccccc12 2241407 GRTDTILBELIDKW-XMMPIXPASA-N 368.436 3.993 0 40 FHAB CC(C)Sc1nnc(SCC(=O)N2CCc3ccccc3C2)s1 12689638 MUVOGENPUMRDPK-UHFFFAOYSA-N 365.549 3.716 0 40 FHAB CN(C)c1nc2sc(C(=O)NCc3cc4ccccc4[nH]3)cc2s1 58903752 BNMTYSTYWSSHEN-UHFFFAOYSA-N 356.476 3.835 0 40 FHAB CC(C)CN1CCC(NC(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)CC1 45463063 URTNURMXQDWNFW-KRWDZBQOSA-N 361.530 3.954 0 40 FHAB c1coc(Cn2nnnc2SCc2csc(-c3ccsc3)n2)c1 11313591 BMIUUMYWOLGTHY-UHFFFAOYSA-N 361.477 3.792 0 40 FHAB CCC(=O)Nc1ccc(C(=O)COC(=O)/C=C/c2ccccc2F)cc1 11442320 CARBNURPSMIWJN-FMIVXFBMSA-N 355.365 3.614 0 40 FHAB Cc1cc(C)c(NC(=O)CNC(=O)c2csc3c2CCCC3)c(C)c1 12796082 LFPJIJUQTAPRPZ-UHFFFAOYSA-N 356.491 3.921 0 40 FHAB CCOc1ncccc1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1 12779887 PFSUJHMSUDGAER-UHFFFAOYSA-N 356.813 3.631 0 40 FHAB Cc1ccc(NC(=O)CSc2nccn2-c2ccc(C)c(C)c2)nc1 12758321 ZXECOHBLYYVZHJ-UHFFFAOYSA-N 352.463 3.923 0 40 FHAB NC(=O)CCN(Cc1ccccc1)C(=O)Cc1ccc(-c2ccccc2)cc1 12807577 ZULPJJVXZQCFHK-UHFFFAOYSA-N 372.468 3.800 0 40 FHAB CN(Cc1cccc(Cl)c1)C(=O)C[C@H]1Sc2ccccc2NC1=O 18009274 DENWBGUPUFFXIG-MRXNPFEDSA-N 360.866 3.802 0 40 FHAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(C)C)o2)c1 3427713 BEUIHRXSYQLARR-UHFFFAOYSA-N 369.512 3.515 0 40 FHAB COc1cc(C(=O)OCCOc2cccc(Cl)c2)cc(OC)c1OC 3445153 SVQGMTJOOCYFHU-UHFFFAOYSA-N 366.797 3.602 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)Cc1cccc2ccccc12 3530104 SHOGKPBYGVKVBM-INIZCTEOSA-N 359.425 3.903 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)COc1ccc(C)c2c1C(=O)C[C@@H]2C 12917662 ADDAXVYJROAIJB-LSDHHAIUSA-N 367.445 3.950 0 40 FHAB COc1ccccc1CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12974284 CCFGWBBPPOMGGP-UHFFFAOYSA-N 367.445 3.561 0 40 FHAB CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(S(C)(=O)=O)cc1 12974990 LPLPTHICQGNXKD-UHFFFAOYSA-N 371.458 3.671 0 40 FHAB O=C(O)/C=C/c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 12992831 AIVMKHMWRCPMMA-XCVCLJGOSA-N 351.280 3.935 0 40 FHAB O=C(/C=C/c1ccc(Cl)cc1)OC[C@H]1CN(Cc2ccccc2)CCO1 68852317 PHKSYIGBILJVSP-OJLWIZQOSA-N 371.864 3.797 0 40 FHAB Cc1oc(C)c(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)c1C 63331459 XPZAGBZDXUNWOE-LBPRGKRZSA-N 372.248 3.681 0 40 FHAB CCCOc1ccc(NC(=O)C(=O)NCc2ccc(OC(C)C)cc2)cc1 408708878 MQYCUAJYJAAWRL-UHFFFAOYSA-N 370.449 3.518 0 40 FHAB Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CCCC(=O)O)cc1 5034409 UONXWXRIYVLXNB-MRXNPFEDSA-N 356.447 3.989 0 40 FHAB COc1cc(CC(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc(OC)c1OC 14185926 GEZRQWYJJIBOPM-BRWVUGGUSA-N 361.482 3.730 0 40 FHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1csc(-c2ccccc2)n1 14231575 CAEFQJYBRNFNCD-KRWDZBQOSA-N 367.474 3.970 0 40 FHAB O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1CC=C(c2ccccc2)CC1 14285577 UYCKPZPNDVYHKM-FQEVSTJZSA-N 360.457 3.894 0 40 FHAB O=C([C@H](Oc1cc(Cl)ccc1Cl)c1ccccc1)N1CCOCC1 5471431 KGFJZBJFWABOFC-QGZVFWFLSA-N 366.244 3.972 0 40 FHAB CCCc1c(C(=O)OCC)nnc2c(-c3ccc(F)cc3)c(CC)nn12 20633773 QLSUGIWUKFNLMZ-UHFFFAOYSA-N 356.401 3.622 0 40 FHAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccco3)o2)c(OC)c1 6932692 CIIOBAVHQQQXCG-SNVBAGLBSA-N 360.391 3.710 0 40 FHAB O=C(Nc1ccccc1)C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 7073309 ZMXMVCMKSGKEIZ-UHFFFAOYSA-N 361.445 3.588 0 40 FHAB O=C(COC(=O)/C=C/c1cccs1)NCc1ccc(Cl)cc1Cl 7550183 DZQQQQHQMOFMQN-AATRIKPKSA-N 370.257 3.928 0 40 FHAB COc1ccc2oc(C(=O)N(C)CC(=O)Nc3ccc(C)cc3)c(C)c2c1 7799213 PGYBBBFQEPIKJF-UHFFFAOYSA-N 366.417 3.769 0 40 FHAB CN1CCN(C(=S)c2ccccc2OCc2ccccc2Cl)CC1 408571195 AACRMOTYOKCZCL-UHFFFAOYSA-N 360.910 3.842 0 40 FHAB CC[C@@H](C)Oc1ccc(NC(=O)N2CCC[C@H](c3nc(C)no3)C2)cc1 69037304 YSLOICODISNDNK-HIFRSBDPSA-N 358.442 3.967 0 40 FHAB COc1cc(F)ccc1NC(=O)CCNC(=O)c1ccc2ccccc2c1 25312993 KECNNXQMWWZTFT-UHFFFAOYSA-N 366.392 3.746 0 40 FHAB CCn1c(CNC(=O)CSc2cc(F)ccc2F)nc2ccccc21 9467651 KCIZSSFUOVJVDS-UHFFFAOYSA-N 361.417 3.743 0 40 FHAB CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 71768128 XMPBRQWVEFEOCQ-UHFFFAOYSA-N 373.409 3.580 0 40 FHAB CCCC12CN3CC(CCC)(CN(C1)C3c1c[nH]c3ccccc13)C2O 96463821 WWSIGZJKLPWUTA-UHFFFAOYSA-N 353.510 3.745 0 40 FHAB CCOc1ccc(SCC(=O)Nc2ccccc2N2CCOCC2)cc1 9683390 XNDRFLQVRYAZRO-UHFFFAOYSA-N 372.490 3.653 0 40 FHAB CC(C)CC[C@@H](C)NS(=O)(=O)Cc1ccc(Br)cc1F 72318862 CZZWFXVQASQFAQ-LLVKDONJSA-N 366.296 3.832 0 40 FHAB COc1ccc(-c2[nH]ncc2C(=O)N[C@@H]2CCc3ccccc32)cc1OC 72329295 DCBDXZWXGHFABT-QGZVFWFLSA-N 363.417 3.511 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCCc2ccccc21 20029987 WJORJLRNALNEHS-HNNXBMFYSA-N 351.855 3.705 0 40 FHAB O=C(N[C@H]1CCSc2c(F)cccc21)c1ccccc1N1CCOCC1 95392530 VOBGMRRKEYWWIG-KRWDZBQOSA-N 372.465 3.629 0 40 FHAB CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1cnn(-c2ccccc2)c1 95463163 ZXKKGVIWJBXTKB-KUHUBIRLSA-N 353.397 3.517 0 40 FHAB Cc1ccc([C@@H]2C[C@H]2C(=O)OCc2nnc(-c3ccccc3)n2C)s1 89656451 IRLFSGDKIFRMPF-HUUCEWRRSA-N 353.447 3.699 0 40 FHAB O=C(CC1(Cn2cccc2)CCCCC1)Nc1ccc(OCCO)cc1 524732539 OFJGDDXQDZYXRK-UHFFFAOYSA-N 356.466 3.839 0 40 FHAB Cc1nc(-c2ccccn2)sc1C(=O)NCCO[C@@H]1CCCC[C@@H]1C 60692660 JPGUXACTSLLDDX-XJKSGUPXSA-N 359.495 3.839 0 40 FHAB Cc1noc2nc(C(C)C)cc(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)c12 79189777 QRJDHANQBVZXPW-MAUKXSAKSA-N 370.497 3.649 0 40 FHAB biogenic CCc1ccc(OCC(=O)N[C@@H](CC)c2ccc(OC)c(OC)c2)cc1 218957491 GEXGGOSBYWZVIU-SFHVURJKSA-N 357.450 3.913 0 40 FHAB CCc1ccccc1O[C@H](C)C(=O)NCCCc1ccc(OC)c(OC)c1 219294562 DABTVPKSEVKGEM-MRXNPFEDSA-N 371.477 3.783 0 40 FHAB CCN(CC)C(=O)CN1CCC[C@H]1c1cccc(Cc2ccc(C)cc2)n1 72357640 WIBISUSJCZBGSU-QFIPXVFZSA-N 365.521 3.986 0 40 FHAB COc1ccc(-c2noc([C@@H]3CCN(Cc4cccc(OC)c4)C3)n2)cc1 72369923 HGHOZMSIGOZAKC-QGZVFWFLSA-N 365.433 3.743 0 40 FHAB C[C@@H](OC(C)(C)C)[C@@H](NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C 37631841 ZEMPPUAPDWWJPV-GDBMZVCRSA-N 365.470 3.827 0 40 FHAB Cn1cc(CN2CCC(c3cccc(Cc4cccc(F)c4)n3)CC2)cn1 72349979 YMQCDLNFXROICX-UHFFFAOYSA-N 364.468 3.925 0 40 FHAB Cc1cc2occ(CC(=O)NCCC(=O)Nc3ccccc3F)c2cc1C 72427608 MGLNUQHYELAIDO-UHFFFAOYSA-N 368.408 3.876 0 40 FHAB O=C(NCCCn1ccnc1)c1cccc(OCc2ccccc2Cl)c1 225778900 CKZSWVGFLXQFMA-UHFFFAOYSA-N 369.852 3.936 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)COc1cccc(C)c1C 222817023 DMXSAEZDONLLRF-UHFFFAOYSA-N 354.450 3.851 0 40 FHAB O=S(=O)(CCN[C@@H]1CCc2cc(F)c(Cl)cc21)c1ccc(F)cc1 527872495 LZIYJTAKBCSNDV-QGZVFWFLSA-N 371.836 3.669 0 40 FHAB COC(=O)c1ccc(Cn2c(C)cc(=O)c3cccc(C(F)(F)F)c32)o1 40175723 PHWHHOYDLYSXLI-UHFFFAOYSA-N 365.307 3.757 0 40 FHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 225555562 PBZQRDJOWHESFK-MRXNPFEDSA-N 372.896 3.824 0 40 FHAB CC(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 224624532 VPAIZYINXNRHJB-CQSZACIVSA-N 352.434 3.930 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=S)Nc2c(F)cccc2F)cc1 225266585 ULLJNXZFISHPTD-LLVKDONJSA-N 352.406 3.727 0 40 FHAB Cn1cc(-c2nn3c(-c4cc(Cl)cc(Cl)c4)nnc3s2)cn1 44921537 OBVQPUSYLXYFSP-UHFFFAOYSA-N 351.222 3.560 0 40 FHAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)Cc1ccccc1 225458412 XFEXSZPETQAEGZ-NQIIRXRSSA-N 366.505 3.951 0 40 FHAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 222413122 WJGMYTBQHPLFGO-NRFANRHFSA-N 366.505 3.870 0 40 FHAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2C[C@@H]2CCCO2)S1 222602494 DQVOFCNTHZRMDZ-SAKMYQHLSA-N 368.506 3.651 0 40 FHAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccco2)N1c1ccc2c(c1)OCO2 223999023 QPNZKQPNNUZBMB-QZTJIDSGSA-N 365.414 3.580 0 40 FHAB O=C(c1cccc(Cl)c1)N1CC2(C[C@H](OCc3cccnc3)CS2)C1 247944582 QSTBHUJVRFERIP-KRWDZBQOSA-N 374.893 3.652 0 40 FHAB O=C(CC1CCCCC1)N1CCC[C@@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 257307732 TTWFAGPBFDUZGO-KRWDZBQOSA-N 367.497 3.618 0 40 FHAB CC(=O)Nc1ccc(NC(=O)CN2CCC(c3cccs3)CC2)cc1 85473450 OAPPCPFSPGFJCV-UHFFFAOYSA-N 357.479 3.525 0 40 FHAB O=C(NC1(c2ccc(F)cc2)CCC1)[C@@H]1CCCN(Cc2cccnc2)C1 623644685 GSNWWKQSGPPJTA-GOSISDBHSA-N 367.468 3.628 0 40 FHAB COc1cc(OC)c2c(c1)N(C(=O)Cc1nsc3ccccc13)CCC2 628702034 KVSCWNPUNMCNKG-UHFFFAOYSA-N 368.458 3.835 0 40 FHAB O=C(O)c1cccc2c1CN(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)CC2 649258597 XFNZTQRMWLWYPQ-QWHCGFSZSA-N 355.356 3.638 0 40 FHAB O=C(Nc1ccc2c(c1)CCCO2)N[C@@H](C[C@H]1CCCO1)C(F)(F)F 653962590 OBSHWUBJGGHWFP-HIFRSBDPSA-N 358.360 3.633 0 40 FHAB C[C@H](COCc1ccccc1)CN1CCc2cc(CCC(=O)O)ccc2C1 1776433947 UWPZVIFGGKBPCW-SFHVURJKSA-N 367.489 3.915 0 40 FHAB CC(=O)N1CCC[C@H](C(=O)N2CC=C(c3cccc4ccccc34)CC2)C1 58209740 KFGPDCQBUUNVKR-FQEVSTJZSA-N 362.473 3.714 0 40 FHAB O=C1NCCCC12CCN(Cc1cccc(-c3cccc(F)c3)c1)CC2 12227970 WALQFHBTIAZNNI-UHFFFAOYSA-N 352.453 3.985 0 40 FHAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc2c(c1)NC(=O)CS2 15031081 JMEZJBNUVZNROU-GFCCVEGCSA-N 356.447 3.539 0 40 FHAB COc1ccc(CN2CCO[C@H](c3cc4ccccc4cn3)C2)c(OC)c1 19552460 OZIJDXYHMKGZSF-QFIPXVFZSA-N 364.445 3.826 0 40 FHAB COc1cccc(CN2CCC(c3nnc(-c4ccncc4)o3)CC2)c1 19564972 HBFASFKXUQPDEY-UHFFFAOYSA-N 350.422 3.520 0 40 FHAB COc1ccc(S[C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 19932593 NBXHAUMWVXSKRC-OAHLLOKOSA-N 374.481 3.664 0 40 FHAB Cc1cc(OC[C@@H]2CCCN(C(=O)Cc3ccc(Cl)cc3)C2)ccn1 1776000604 ALGLMOKKLKHBPU-QGZVFWFLSA-N 358.869 3.904 0 40 FHAB Cc1ccc(CN2CCC3(CC2)CC(=O)NCc2ccccc2N3)c(C)c1 2037981211 ZQTMFHPTWSPBAP-UHFFFAOYSA-N 363.505 3.770 0 40 FHAB CC(=O)c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 7052393 DZPSCKPPDNJMAC-UHFFFAOYSA-N 359.325 3.589 0 40 FHAB O=S(=O)(Cc1ccc(F)cc1)NN(c1ccccc1)c1ccccc1 2299634 XIUPKMZBWCRKMO-UHFFFAOYSA-N 356.422 3.998 0 40 FHAB Cc1nc(S)sc1CC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 40034363 WIPHDMBOYJGPSZ-GFCCVEGCSA-N 372.519 3.565 0 40 FHAB Cc1nc2ccc(NC(=O)NCc3ccccc3CN(C)C)cc2s1 40103263 QJPDRKZFEFHLTA-UHFFFAOYSA-N 354.479 3.988 0 40 FHAB CCN(CC)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1 31914648 GTPSZZLGVRFWON-MRXNPFEDSA-N 369.465 3.617 0 40 FHAB O=C(c1ccc(Br)o1)N1CCN(c2ccccc2Cl)CC1 8340901 QWEHLSZLFDBVDV-UHFFFAOYSA-N 369.646 3.658 0 40 FHAB CC(=O)Nc1ccc(OC(=O)COc2ccc(Cl)c(Cl)c2)cc1 29777597 ZIJOZMYEHHTLQI-UHFFFAOYSA-N 354.189 3.936 0 40 FHAB Cc1ccc(SCC(=O)N(C)CC(=O)Nc2cccc(F)c2)c(C)c1 8313799 MLOQRFREKQKTRV-UHFFFAOYSA-N 360.454 3.632 0 40 FHAB Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2cccs2)c1C 21336988 CZJICBLSLRUOSH-INIZCTEOSA-N 372.490 3.625 0 40 FHAB CCC(=O)N(Cc1ccccc1OC)Cc1cc2ccc(C)cc2[nH]c1=O 4230941 XVOJPSIYWAWAIE-UHFFFAOYSA-N 364.445 3.784 0 40 FHAB CC(=O)NC(=S)Nc1ccc(NC(=O)c2cccc3ccccc23)cc1 6238455 YUCJSZIEFNQFPK-UHFFFAOYSA-N 363.442 3.925 0 40 FHAB Cc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2Cl)cc1C 6846160 LJFUHDPEQNSLMV-UHFFFAOYSA-N 362.838 3.782 0 40 FHAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 101359465 QFKKOOAREIAMNX-SDADXPQNSA-N 358.235 3.707 0 40 FHAB CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccco1 8090171 FQUIMSWFDCYADL-ZDUSSCGKSA-N 356.451 3.528 0 40 FHAB O=C1CCN(C(=O)CSc2ccc(C(F)(F)F)cc2Cl)CC1 2782193 ZEJSHRWHUWYJEO-UHFFFAOYSA-N 351.777 3.642 0 40 FHAB Cc1cccc(CC(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)c1 8959384 HFKCWQDJDZOVQT-UHFFFAOYSA-N 352.434 3.558 0 40 FHAB C/C=C/C(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1 9062184 SBYLHURDKCMXAJ-FARCUNLSSA-N 364.430 3.972 0 40 FHAB CC1(C)Cc2nc3sc4c(NC[C@@H]5CCCO5)ncnc4c3cc2CO1 779508 DLEZNVBWTIVYFT-LBPRGKRZSA-N 370.478 3.682 0 40 FHAB COc1ccc([C@H](CNC(=O)[C@]2(C)CC2(Cl)Cl)N2CCCC2)cc1 22620328 RIQJABGNJDSESL-RDJZCZTQSA-N 371.308 3.532 0 40 FHAB COc1cc(SC)ccc1C(=O)N1CCN(c2ccc(F)cc2)CC1 862263 BHHXRQSHKDNRDR-UHFFFAOYSA-N 360.454 3.519 0 40 FHAB C[C@@H](OC(=O)/C=C1\OC(=O)c2ccccc21)C(=O)c1ccc(Cl)cc1 993194 VINPVDRKYALXMY-FFCYNSPCSA-N 356.761 3.666 0 40 FHAB Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CNC[C@@H](c1ccco1)N(C)C 23249335 FWANGFMIFGHTSR-OALUTQOASA-N 374.525 3.518 0 40 FHAB CN(C)[C@@H](CNC(=S)N[C@H]1C[C@@H]2CC[C@@H]1C2)c1c(F)cccc1Cl 102971714 RADUOTONZMWTEX-MPTQWLOMSA-N 369.937 3.735 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1F 42986631 FJZNCPPEKZPSPU-QGZVFWFLSA-N 359.426 3.536 0 40 FHAB CC[C@@H](C)NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 22531322 CDKLTFANQQWGGL-GFCCVEGCSA-N 366.870 3.669 0 40 FHAB CC[C@@H](Oc1ccccc1C)C(=O)NCCCN1CCc2ccccc21 20044372 BCIZLTYJODMWFF-HXUWFJFHSA-N 352.478 3.721 0 40 FHAB CC(=O)N(C)Cc1ccccc1NC(=O)c1ccc(OCC2CC2)cc1 55226603 QSMKRYOKQKQIRL-UHFFFAOYSA-N 352.434 3.706 0 40 FHAB Cc1ccc2c(c1)CCCN2C(=O)Cc1cc(Cl)c2c(c1)OCCO2 24697006 UIUCWCRWLJZJLG-UHFFFAOYSA-N 357.837 3.942 0 40 FHAB O=C(c1ccccc1Cl)N1CCN(Cc2nc3ccccc3s2)CC1 25139206 UHSDQUJJLCIQKU-UHFFFAOYSA-N 371.893 3.908 0 40 FHAB CCc1ccc(CN(C)C(=O)[C@@H](NC(=O)c2cccs2)C(C)C)cc1 25449398 NPCHFQMCNSCQNN-SFHVURJKSA-N 358.507 3.724 0 40 FHAB CC[C@H]1CCCCN1CCCNC(=O)CSc1ccc(OC)cc1 20484458 VCQPYPITGCYIQB-INIZCTEOSA-N 350.528 3.558 0 40 FHAB Cc1cc(N2CCC[C@@H]2CN(C)c2ccccc2)nc(-c2cccnc2)n1 58156827 WDLORNHDKVDCHA-HXUWFJFHSA-N 359.477 3.952 0 40 FHAB C[C@]12C=C/C(=N\OCC(=O)O)C=C1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 12660568 RLZYCYTZQGHRMD-VNFDAHQOSA-N 373.493 3.933 0 40 FHAB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1cccc(C)c1 2209989 RGJXUKYHJLZXRT-IBGZPJMESA-N 360.417 3.576 0 40 FHAB O=c1c2ccccc2c(-c2ccc3c(c2)OCCO3)nn1-c1ccc(F)cc1 3349550 WNUMRAGRLYYXAM-UHFFFAOYSA-N 374.371 3.963 0 40 FHAB CCn1c(SCC(=O)N(C)Cc2ccccc2)nnc1-c1cccs1 3346836 ZCHSFMBMBVOKJJ-UHFFFAOYSA-N 372.519 3.777 0 40 FHAB Brc1ccc(CSc2nncn2Cc2ccco2)cc1 48324139 XMHIUJZZHIWARN-UHFFFAOYSA-N 350.241 3.974 0 40 FHAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3ccccc3)C(=O)[C@@H]2C1 408675148 ACGCJARYJHVROS-SJLPKXTDSA-N 360.413 3.785 0 40 FHAB COc1ccc(Cl)cc1NC(=O)CSc1nncn1-c1ccccc1 3453056 XCZFBNLHWPQAHI-UHFFFAOYSA-N 374.853 3.660 0 40 FHAB O=C(COc1ncnc2sc(-c3ccccc3)cc12)NCc1ccco1 3551580 ZLWQYPDYCBCGBD-UHFFFAOYSA-N 365.414 3.647 0 40 FHAB O=C(c1csc(-c2ccccc2)n1)N1CCN(Cc2ccccc2)CC1 12992714 KJCIDPOCWRVJDS-UHFFFAOYSA-N 363.486 3.768 0 40 FHAB COc1ccc(C(=O)C2CCN(C(=O)CCc3ccc(F)cc3)CC2)cc1 12901192 UIXAYZSETPELSI-UHFFFAOYSA-N 369.436 3.888 0 40 FHAB Cc1cc(NC(=O)Cc2ccccc2Cl)ccc1N1CCN(C)CC1 21865558 MFVOAOHUEGVOBP-UHFFFAOYSA-N 357.885 3.581 0 40 FHAB NC(=O)c1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 5126649 DCGSACVKSQBTJT-UHFFFAOYSA-N 358.463 3.634 0 40 FHAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1C 5100883 ZXPFHYGJORPBAF-UHFFFAOYSA-N 367.478 3.731 0 40 FHAB Cc1ccc(CNC(=O)[C@@H](C)n2c(S)nnc2-c2cccs2)c(C)c1 65478452 SEOIFCNOCLBOOY-CYBMUJFWSA-N 372.519 3.790 0 40 FHAB C[C@@H](CNC(=O)Cc1noc2ccccc12)c1nc2ccccc2s1 65548707 WFUNRGNVUOOXTJ-LBPRGKRZSA-N 351.431 3.900 0 40 FHAB O=C(COC(=O)c1cc2c(s1)CCC2)Nc1ncc(Cl)cc1Cl 5308177 PCFUHLUMKMMPII-UHFFFAOYSA-N 371.245 3.734 0 40 FHAB C[C@H](NC(=O)CCNC(=O)NC1CCCCC1)c1ccc2c(c1)CCCC2 14161939 RNWXOSLVSANNDZ-INIZCTEOSA-N 371.525 3.765 0 40 FHAB O=C(CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)Nc1ccccc1 15008503 KKIIHVVDXXPFFM-XNTDXEJSSA-N 356.378 3.501 0 40 FHAB Cc1cccc([C@@H](CNC(=O)c2sccc2C2CC2)N2CCOCC2)c1 67163597 NZSAQQBJKLWZTC-LJQANCHMSA-N 370.518 3.737 0 40 FHAB Cc1ccccc1CS[C@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 7025811 RHVUUCWWBBJJHH-CQSZACIVSA-N 363.504 3.871 0 40 FHAB CCN(Cc1cccs1)C(=O)CCC(=O)N1CCC(c2ccccc2)=N1 7988007 HQOCAMSDFFLSQM-UHFFFAOYSA-N 369.490 3.513 0 40 FHAB Fc1ccc([C@H]2C=C(c3ccncc3)Nc3nc(C(F)(F)F)nn32)cc1 8192627 XMGAGUAIRNZPSK-CQSZACIVSA-N 361.302 3.887 0 40 FHAB CC(C)(C)c1csc(NC(=O)CCCn2cnc3ccccc3c2=O)n1 9336035 GUDTZORENXQZNL-UHFFFAOYSA-N 370.478 3.569 0 40 FHAB O=C(CSc1ccc2c(c1)OCCO2)Nc1ccccc1N1CCCC1 9595879 SCMNUSOMJPFPPN-UHFFFAOYSA-N 370.474 3.789 0 40 FHAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCn1c(C)csc1=O 71844312 KDVAWKRWHZTRGN-MSOLQXFVSA-N 358.507 3.793 0 40 FHAB O=C(c1ccc(F)cc1I)N1CC[C@@H]2CCCC[C@H]21 72057442 WGLPEDWEFRTGMW-IINYFYTJSA-N 373.209 3.835 0 40 FHAB O=C(O)c1cccc(NC(=S)NC(=O)C2(c3ccccc3)CCCC2)c1 20153533 KEHVOLCXKZDMHR-UHFFFAOYSA-N 368.458 3.710 0 40 FHAB CC1(C)C[C@@H](C(=O)Nc2cccnc2Oc2ccc3c(c2)OCO3)CCO1 72401389 QTXYXHWRLGBCFQ-ZDUSSCGKSA-N 370.405 3.746 0 40 FHAB O=C(Nc1nc2ccsc2s1)N(Cc1cccnc1)C[C@@H]1CCCO1 84425021 AZCAJISEJKBGEV-ZDUSSCGKSA-N 374.491 3.966 0 40 FHAB Cc1cc(C)n2nc(C)c(C(=O)N[C@@H]3CCOc4c(Cl)cccc43)c2n1 97669541 HDRWOJUQASNYOU-OAHLLOKOSA-N 370.840 3.562 0 40 FHAB Cc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)s1 98212616 CCVYTIPKEXFQKH-UHFFFAOYSA-N 366.490 3.845 0 40 FHAB CC[C@H]1c2ccsc2CCN1C(=O)c1cncc(-c2cnn(C)c2)c1 95953728 DGNQUKMMXTZKJH-KRWDZBQOSA-N 352.463 3.693 0 40 FHAB CC1(C)OC(=O)C([C@H](c2ccc(F)cc2)c2c[nH]c3ccccc23)C(=O)O1 409115654 KHLWEDLEZWKZEX-QGZVFWFLSA-N 367.376 3.891 0 40 FHAB CC1(C)C[C@H](NC(=O)c2cccc(N3CCCC3=O)c2)c2ccccc2O1 121944290 PGBJUEGLIQEJHI-SFHVURJKSA-N 364.445 3.846 0 40 FHAB O=C(c1ccc(Br)cc1)N1CCOC[C@@H]1c1ccc(F)cc1 1521729934 NJCDVAZWOGCWIA-MRXNPFEDSA-N 364.214 3.802 0 40 FHAB Cc1cn2c(n1)[C@@H](CNC(=O)C1(c3cc(F)cc(F)c3)CCCC1)CCC2 528886073 XUZOQJNWYIGRRU-OAHLLOKOSA-N 373.447 3.975 0 40 FHAB COc1ccc(NC(=S)Nc2ccc(S(C)(=O)=O)cc2)cc1Cl 71761850 MGXALEPLJPBWDV-UHFFFAOYSA-N 370.883 3.561 0 40 FHAB Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 38752610 AQQHGAHKCQRCJO-GFCCVEGCSA-N 366.870 3.511 0 40 FHAB CCc1ccccc1O[C@@H](C)C(=O)NCc1nc(-c2cccc(C)c2)no1 219296287 SJHIPMLNAHYZRF-HNNXBMFYSA-N 365.433 3.691 0 40 FHAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccncc2)cc1 72329015 CEEDBTPNJSUQHS-UHFFFAOYSA-N 350.422 3.581 0 40 FHAB Cc1ccc([C@](O)(CCNC(=O)c2c[nH]c3ccccc23)C(F)(F)F)o1 32937556 SOXXNIARYBMUSS-QGZVFWFLSA-N 366.339 3.639 0 40 FHAB COc1ccc(-c2csc(CNC(=O)c3cccc(OC)c3)n2)cc1 72264956 XIKKDPLMVVEKJQ-UHFFFAOYSA-N 354.431 3.757 0 40 FHAB COc1ccc(C)cc1NC(=O)C1CCN(C(=O)c2ccc(C)cc2)CC1 243934123 RUVVJLZEYVUUPH-UHFFFAOYSA-N 366.461 3.803 0 40 FHAB Cc1cc(N2CCO[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)nc(C)n1 257307653 SZRLRGZURPNKDA-HXUWFJFHSA-N 364.424 3.872 0 40 FHAB O=C(N[C@H]1CCCc2c1[nH]c1ccccc21)[C@H]1CC(=O)N(c2ccccc2)C1 575443187 NMAJHAUVBWLYGM-YWZLYKJASA-N 373.456 3.715 0 40 FHAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)C(=O)NC1CCCCCC1 57963100 QNTMRNOQPMVFAN-UHFFFAOYSA-N 371.403 3.549 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCC[C@H]2CCCC[C@@H]21 54670645 PXXZCRIABFXNJF-MJGOQNOKSA-N 365.477 3.853 0 40 FHAB CC(C)[C@H](NC(=O)Nc1cc(F)cc(F)c1)c1nc(-c2cccnc2)no1 68555872 MMUOETZPLVKRRF-HNNXBMFYSA-N 373.363 3.929 0 40 FHAB CC[C@H](C(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1)c1ccccc1 75165180 KOUXJPLJKTXUKO-AWEZNQCLSA-N 367.371 3.988 0 40 FHAB Cc1cc(S(=O)(=O)N2CCC[C@H]2Cc2ccccc2Cl)sn1 1661021532 GZGHGLVSPAIQHY-ZDUSSCGKSA-N 356.900 3.501 0 40 FHAB COc1ccc(/C=C2/SC(=O)N(Cc3cccc(C(=O)O)c3)C2=O)cc1 1018926 ISBZCYWYYYAQNY-MHWRWJLKSA-N 369.398 3.630 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)c3ccc4c(c3)OCO4)o2)cc1 5863037 VUKDWAHQINQHNF-UHFFFAOYSA-N 354.387 3.749 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)COc1ccc(Br)cc1 5510940 QKYIWSDBOZZONF-LBPRGKRZSA-N 364.239 3.714 0 40 FHAB O=C(Nc1ccc(F)cc1F)C1CCN(C(=O)c2ccc(F)cc2)CC1 15004176 SQWHAIMMRZWHMV-UHFFFAOYSA-N 362.351 3.595 0 40 FHAB CCOc1ccc(OCC(=O)Nc2cc(OCC)ccc2OCC)cc1 15568262 BDZYOUUEPRQCNF-UHFFFAOYSA-N 359.422 3.900 0 40 FHAB O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 15935667 YXMHNTBLVFWJDM-OAHLLOKOSA-N 373.403 3.525 0 40 FHAB Cc1ccc(S(=O)(=O)NC(=O)O[C@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 16310246 YZWRWDKISIQION-OAGGEKHMSA-N 351.468 3.769 0 40 FHAB COc1ccc([C@H](NC(=O)c2ccnn2C(F)F)c2ccccc2)cc1 19553367 DZYXQPMDAZMYFK-QGZVFWFLSA-N 357.360 3.806 0 40 FHAB COC(=O)c1c(C)nc2ccn(-c3ccccn3)c(=O)c2c1-c1ccccc1 19962845 AUTMOYCNXCOJNV-UHFFFAOYSA-N 371.396 3.543 0 40 FHAB C[C@H](NC(=O)c1cccc(C(N)=O)c1)C(c1ccccc1)c1ccccc1 31379308 YBSHEZLVGWTHKB-INIZCTEOSA-N 358.441 3.736 0 40 FHAB Cc1nc2c3ccccc3nc(SCC(=O)c3ccc(F)cc3)n2n1 33758593 YTCPCBJJAOUOET-UHFFFAOYSA-N 352.394 3.700 0 40 FHAB Cc1csc(C(=O)N2CCC[C@@]3(CC2)CN(Cc2ccoc2)CCO3)c1 2055793474 IQIFJVUFZDSQFD-HXUWFJFHSA-N 374.506 3.547 0 40 FHAB O=C(c1ccncc1)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 1890126922 FDADOOZLBSPESN-UHFFFAOYSA-N 358.445 3.922 0 40 FHAB CCOc1ccccc1C(=O)NC[C@@H]1CCCN1c1nc2ccccc2o1 206771282 YMLVMGBMDXRUJD-HNNXBMFYSA-N 365.433 3.625 0 40 FHAB O=C(c1ccccc1Cl)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 575615203 BVBDAULTNDKCNL-AWEZNQCLSA-N 367.836 3.527 0 40 FHAB Cc1cc(C)nc(O[C@@H]2CCCN(C(=O)/C=C/c3ccc(Cl)cc3)C2)n1 585147239 DKRGRASSUKORIS-RUJXFNLJSA-N 371.868 3.830 0 40 FHAB C[C@H](NC(=O)Nc1cccc(I)c1)c1ccncc1 40098290 DNUMAVLBEQNUJH-JTQLQIEISA-N 367.190 3.569 0 40 FHAB O=C(/C=C/c1c(F)cccc1F)Nc1cccc(C(=O)N2CCCC2)c1 40106575 URFWOMNYYMPJLJ-MDZDMXLPSA-N 356.372 3.853 0 40 FHAB C[C@@H]1CCCN(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1 45708960 ZFTLTYXFXYFMIX-CYBMUJFWSA-N 370.419 3.511 0 40 FHAB Nc1cc(C(=O)OCc2ccccc2)cc(C(=O)OCc2ccccc2)c1 2598109 VDJWRMQQXQBYIO-UHFFFAOYSA-N 361.397 3.983 0 40 FHAB Cc1sc2nc(NC[C@H]3CCCO3)n3nc(-c4ccco4)nc3c2c1C 32101904 SLEZXBLMPULICS-GFCCVEGCSA-N 369.450 3.807 0 40 FHAB O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccccc1Cl 3015131 JQEGXWAOAVTWAX-UHFFFAOYSA-N 373.865 3.629 0 40 FHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc2[nH]c3c(c2c1)CCCCC3 32817957 ZLAJJCOLKAPWEP-UHFFFAOYSA-N 360.417 3.859 0 40 FHAB Cc1cc(C)c(COc2ccc([C@H]3N[C@H](C(=O)O)CS3)cc2)c(C)c1 6418516 YFVUJXOVGOUYJJ-OALUTQOASA-N 357.475 3.979 0 40 FHAB CC(=O)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 7928902 QREZPARVSBOLLQ-ZDUSSCGKSA-N 357.793 3.501 0 40 FHAB O=C(NCCc1ccc(Cl)cc1)c1ccc(OC[C@H]2CCCO2)cc1 2661028 ZPDLBDLPYOJMET-LJQANCHMSA-N 359.853 3.870 0 40 FHAB COc1ccc(OCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 10291559 LAKPZRBTEWXZAA-UHFFFAOYSA-N 363.841 3.701 0 40 FHAB COc1ccc(/C=C/C(=O)N2c3ccccc3C[C@@H]2C)c(OC)c1OC 10449671 RMONGOFDLCURAM-WONIAPNHSA-N 353.418 3.703 0 40 FHAB COc1ccc(OC)c(NC(=O)Nc2cnn(Cc3ccccc3F)c2)c1 8114846 LXAOCNPXCKEQFT-UHFFFAOYSA-N 370.384 3.732 0 40 FHAB Cc1nn(C[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)c(C)c1Br 2794550 PMLUNPIKIFAUSS-MRVPVSSYSA-N 372.213 3.815 0 40 FHAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nc(-c2ccc(F)cc2)ns1 8614021 AYOBOQUKCYWEOV-SNVBAGLBSA-N 361.373 3.889 0 40 FHAB CCOC(=O)c1sc2cccc(F)c2c1CNc1ccccc1C(N)=O 22474472 DFROXKKNXLGBOY-UHFFFAOYSA-N 372.421 3.928 0 40 FHAB Cc1cc(C(=O)CSc2ccccn2)c(C)n1NC(=O)c1ccccc1 22703739 LDNMTMBUGFGFKR-UHFFFAOYSA-N 365.458 3.859 0 40 FHAB COc1ccc(OC)c([C@H]2CC(=O)c3c([nH]c(C(=O)OC(C)C)c3C)C2)c1 1080779 VQFZAKZPMPGVMR-CYBMUJFWSA-N 371.433 3.818 0 40 FHAB aggregator CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2cccc3ccccc23)cc1 56100767 BRHPMWMHOBVIPR-UHFFFAOYSA-N 368.458 3.619 0 40 FHAB CN(C1CCCCC1)S(=O)(=O)N(C)[C@H](c1ccccc1)c1ccccn1 106526595 JYRIVLRZUZMTQF-HXUWFJFHSA-N 373.522 3.612 0 40 FHAB CN(C)c1cccc(C(=O)Nc2ccnn2Cc2ccccc2Cl)c1 23272522 VOLMGWLTORRHRD-UHFFFAOYSA-N 354.841 3.903 0 40 FHAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2C)c1 28196188 KKCGHCGTCMHQPO-UHFFFAOYSA-N 353.827 3.544 0 40 FHAB COc1ccc(CCNC(=O)Nc2cccc(OC(F)F)c2)cc1OC 47908644 XJPNYKULZGKGJD-UHFFFAOYSA-N 366.364 3.669 0 40 FHAB CC1(C)C[C@@H]2C[C@](C)(CN2CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 100745705 PEVHSLDAYIFANO-MWTRTKDXSA-N 365.521 3.953 0 40 FHAB CC(C)(C)c1ccc(Oc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1 12632909 PADAVDUPPKVXAC-UHFFFAOYSA-N 360.479 3.956 0 40 FHAB Cc1ccc(NC(=O)CCN2CCN(c3ccccc3F)CC2)cc1C 2233639 VENBSJXQUHHANK-UHFFFAOYSA-N 355.457 3.593 0 40 FHAB CC[C@H](C)c1ccc(NC(=O)COC(=O)Cn2cnc3ccccc32)cc1 3323567 YTBDCDQGAYNFAT-HNNXBMFYSA-N 365.433 3.732 0 40 FHAB O=C(Nc1ncnc2nc[nH]c12)c1cc(-c2cccs2)nc2ccccc12 3326275 XTXBADXLZAPINP-UHFFFAOYSA-N 372.413 3.882 0 40 FHAB C[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1 2309520 CXJGQKZTXXJFJB-LLVKDONJSA-N 368.216 3.943 0 40 FHAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1n[nH]c(=O)c2ccccc12 3300394 QNDSJKOTNMKOIL-UHFFFAOYSA-N 371.396 3.754 0 40 FHAB COC(=O)Nc1ccc(CNC(=O)c2cc3cc(C)ccc3nc2C)cc1 48356422 IJBLYJXQEXRXQO-UHFFFAOYSA-N 363.417 3.960 0 40 FHAB CCOc1ccc(C(=O)OCC(=O)Nc2ccccc2C)cc1OCC 3441833 LUZTVCBQOIKTRJ-UHFFFAOYSA-N 357.406 3.588 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)NC3CCCC3)n2C(C)C)cc1 3481810 AJYUPIRYWCNRQR-UHFFFAOYSA-N 374.510 3.686 0 40 FHAB CC(C)n1nnnc1SCc1c(C(=O)O)sc2cccc(F)c12 12916434 SCFBWFQAEKZLRA-UHFFFAOYSA-N 352.416 3.598 0 40 FHAB COC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H](Cc2ccc(C)cc2)C1 60268524 MDYFKKPBYSSYBL-MOPGFXCFSA-N 360.498 3.547 0 40 FHAB CC(C)(NC(=O)Cc1coc(-c2ccccc2)n1)c1ccc2c(c1)OCO2 64314080 BEXICAOFDYJFFJ-UHFFFAOYSA-N 364.401 3.664 0 40 FHAB CCOc1cccc(-c2nnc3n2N=C(c2ccc(OC)cc2)CS3)c1 5100863 KVXSUEUTXNJCBB-UHFFFAOYSA-N 366.446 3.711 0 40 FHAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 4385143 YQMMUZIAWJTGPA-ZDUSSCGKSA-N 358.825 3.730 0 40 FHAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccncc3)n2)c(F)c1 14017780 GWHGYAYNTBXKNB-UHFFFAOYSA-N 356.382 3.555 0 40 FHAB C[C@H](NC(=O)c1ccc(Cn2cncn2)cc1)c1ccc2ccccc2c1 14077254 GXFSOMJKESEUME-INIZCTEOSA-N 356.429 3.971 0 40 FHAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cccc3ccccc23)C1=O 4787483 DVADYBBVCXJRRO-JOCHJYFZSA-N 374.396 3.536 0 40 FHAB O=C1C[C@@H](c2cccc(Cl)c2)c2c(nc(-c3ccccc3)[nH]c2=O)N1 8856473 MUNOGZUDHGAKOA-AWEZNQCLSA-N 351.793 3.564 0 40 FHAB COc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)N(C(C)=O)c3ncnn32)cc1 4816752 LGNNQWROJCAUIB-UXHICEINSA-N 362.433 3.682 0 40 FHAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OCc2ccccc2)C1 4932887 AEOQTSHLNOIRFN-GOSISDBHSA-N 367.445 3.681 0 40 FHAB CC(C)(C)c1ncc(C(=O)NC2CCN(Cc3ccccc3)CC2)s1 67479094 ATZAXJPERZMWOG-UHFFFAOYSA-N 357.523 3.835 0 40 FHAB Fc1ccc(-n2c(-c3ccncc3)nn(CN3CCCC3)c2=S)cc1 7314654 ZAZVIUDVGNUIKS-UHFFFAOYSA-N 355.442 3.658 0 40 FHAB CC[C@H](NC(=O)CSc1nncn1-c1ccccc1)c1ccc(C)cc1 7677568 KCSYKISWEAYBOK-SFHVURJKSA-N 366.490 3.935 0 40 FHAB C[C@H](c1ccccc1)N1CC[C@H](N[C@@H](CO)c2cc(F)c(F)c(F)c2)C1 90812897 MYGPGIAZWSVKRK-AZOIQLNYSA-N 364.411 3.562 0 40 FHAB CCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCC 408994366 YZKNWTFZKWJEQI-GOSISDBHSA-N 359.470 3.522 0 40 FHAB Cc1cc(=O)oc2cc(OCC(=O)N3CCSc4ccccc43)ccc12 7977413 WEVWBUQZFADSCY-UHFFFAOYSA-N 367.426 3.619 0 40 FHAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1cc(=O)c2ccccc2o1 8186325 JQFZXAZJVFFRLT-UHFFFAOYSA-N 372.760 3.575 0 40 FHAB Cc1ccc(Cn2ncc3c(C(=O)Nc4nccs4)cc(C)nc32)cc1 8113143 SRVBYVIGDLCWJC-UHFFFAOYSA-N 363.446 3.805 0 40 FHAB COc1cccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 408563468 NCLYZKOJCCIFAG-UHFFFAOYSA-N 352.434 3.964 0 40 FHAB Cc1cc(CN2CCC3(CC2)C[C@H]3c2nnc(-c3cccc(F)c3)o2)on1 71890571 APUUJBLVLOPEBM-KRWDZBQOSA-N 368.412 3.942 0 40 FHAB Cc1cc(S(=O)(=O)N(C)c2ccc(C(C)(C)C)cc2)sc1C(=O)O 71820745 DNEAYXUPUIVIRT-UHFFFAOYSA-N 367.492 3.877 0 40 FHAB CC1CCC(NC(=O)c2nnn3c2CO[C@H](c2ccc(Cl)cc2)C3)CC1 97097305 ZVBYCXDFYQLIHU-QOJXUVEWSA-N 374.872 3.512 0 40 FHAB O=C(CN1CCCC1)N1N=C(c2cccc(F)c2)C[C@H]1c1cccs1 97163507 HNTCJMVTUWSPDU-KRWDZBQOSA-N 357.454 3.661 0 40 FHAB CCOc1ccc(NC(=O)N2CCC[C@@H]2C(C)(C)O)c(C(F)(F)F)c1 95454943 RSZXXMXWAGPTHY-CQSZACIVSA-N 360.376 3.871 0 40 FHAB COc1cc(OC)cc(N2CC[C@H](NCC(C)(C)c3ccccc3)C2)c1 95464133 IAEPOJGWLMFKBD-SFHVURJKSA-N 354.494 3.850 0 40 FHAB Cc1cc(C)nc(-n2nc(NC(=O)/C=C/c3cc4ccccc4o3)cc2C)n1 95455912 GLUWHCPVJRCVFJ-CMDGGOBGSA-N 373.416 3.986 0 40 FHAB COc1ccc(C(=O)Nc2ccnn2-c2ccc(Cl)cc2)c(OC)c1 95962181 XBHNXTUUCLBNJV-UHFFFAOYSA-N 357.797 3.795 0 40 FHAB CC(C)N1CCC(NC(=O)CN(Cc2ccccc2)c2ccccc2)CC1 89870050 KCOULVDCPJVPFA-UHFFFAOYSA-N 365.521 3.682 0 40 FHAB COc1ccc(O)c(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 408628392 SGUXGARJGVRHLX-UHFFFAOYSA-N 374.506 3.820 0 40 FHAB COC(=O)c1ccc(OC)c(OCc2ccccc2)c1Br 65734955 IMIHGELRNDVMBV-UHFFFAOYSA-N 351.196 3.823 0 40 FHAB in-vitro COc1ccc(-c2cc(=O)c3cc(NC(=O)C4CC4)ccc3o2)cc1OC 12322920 DFQHPYLNODUKIG-UHFFFAOYSA-N 365.385 3.826 0 40 FHAB biogenic CN(Cc1ccc(Cl)cc1)C(=O)CCCn1c(=O)oc2ccccc21 30844725 CLMKSMQSMKFPJU-UHFFFAOYSA-N 358.825 3.687 0 40 FHAB O=C(CCc1nc2ccccc2n1-c1ccccc1)NCc1ccc(O)cc1 514057608 DCEXEJATUTWLSM-UHFFFAOYSA-N 371.440 3.980 0 40 FHAB COc1ncccc1CCNC(=O)C1(c2cc(F)cc(F)c2)CCCC1 529409050 QQNHRRNNCZOAKD-UHFFFAOYSA-N 360.404 3.539 0 40 FHAB O=C(O[C@@H](C(=O)NCc1ccc(F)cc1)c1ccc(F)cc1)c1ccco1 35289441 DHQKCZPGMVJOJO-GOSISDBHSA-N 371.339 3.772 0 40 FHAB COc1ccc(N2C(=O)C[C@@H](Nc3cccc(Cl)c3Cl)C2=O)cc1 36635637 NIJDLGLOBNSYNV-CQSZACIVSA-N 365.216 3.746 0 40 FHAB Cc1ccsc1CN1CCC(c2cc(O)nc(-c3cccnc3)n2)CC1 72392767 OHEWNLVYUMJMQC-UHFFFAOYSA-N 366.490 3.994 0 40 FHAB CN(Cc1cccc(NC(=O)CCc2ccccc2)c1)C(=O)C(F)(F)F 31374299 VAKLZXVPKKERLJ-UHFFFAOYSA-N 364.367 3.779 0 40 FHAB CSc1nnc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)s1 39989068 GSSYIRCCZNRVCR-SECBINFHSA-N 357.888 3.936 0 40 FHAB CCOc1cc(CNC(=O)c2ccc(Br)cc2)ccc1OC 72331465 POGULFKLOSQBMI-UHFFFAOYSA-N 364.239 3.786 0 40 FHAB Cn1ccnc1[C@H](NC(=O)CCCc1cccs1)c1ccccc1F 40013262 VTIKSZTYAHHICJ-GOSISDBHSA-N 357.454 3.849 0 40 FHAB CCc1ccc(-c2noc(CN3C(=O)COc4cc(Cl)ccc43)n2)cc1 49422364 FYNDZTCJWMZYPU-UHFFFAOYSA-N 369.808 3.878 0 40 FHAB CCOc1cccc(NC(=S)NCc2nc(-c3cccs3)no2)c1 225827320 KUVMBXRNPRGBJX-UHFFFAOYSA-N 360.464 3.683 0 40 FHAB COc1ccc2cc(S(=O)(=O)NCCc3ccc(F)cc3)ccc2c1 225128044 UTACHAJOFOGVTG-UHFFFAOYSA-N 359.422 3.509 0 40 FHAB Cc1ccc(NC(=S)NCc2ccccc2F)cc1N1CCCC1=O 225836167 DBCHDEKQLPDZIO-UHFFFAOYSA-N 357.454 3.748 0 40 FHAB CC(C)C(=O)N1CCC(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)CC1 40051331 FECMNZLWQJEZNB-BZSISCHUSA-N 360.542 3.602 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 224311334 XVHQFIYCWMAAHD-LJQANCHMSA-N 372.896 3.826 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)N(C)c2cc(Cl)ccc2Cl)cc1 224894279 HOUCTSWXPNZVRN-UHFFFAOYSA-N 373.261 3.777 0 40 FHAB Cc1cccc(CS(=O)(=O)NCCOc2ccccc2C(C)(C)C)c1 223700828 FFMXUVLKMLZKRP-UHFFFAOYSA-N 361.507 3.791 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C 224660432 NBZDCBZVAHFOEJ-IBGZPJMESA-N 366.505 3.789 0 40 FHAB COc1cccc(COC(=O)c2snnc2-c2cccs2)c1OC 223847054 ADJPJCPTGCCUJC-UHFFFAOYSA-N 362.432 3.641 0 40 FHAB COCCO[C@@H]1CCC2(CCN(C(=O)c3ccc[nH]3)CC2)c2ccccc21 96079630 UQWRRMNMDCLYRG-HXUWFJFHSA-N 368.477 3.687 0 40 FHAB CSc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3CN(C(C)=O)C[C@H]23)s1 96156973 BREAXASMLXJWLN-RLFYNMQTSA-N 372.515 3.517 0 40 FHAB CCc1cccc(C)c1NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 243431466 MZLPPNAOHNPMRP-UHFFFAOYSA-N 374.506 3.579 0 40 FHAB COc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(C)c(C)c3)CC2)c1 243360097 LZVNYUJYWFQINC-UHFFFAOYSA-N 366.461 3.803 0 40 FHAB COc1ccccc1CC(=O)N1CCCC[C@H]1c1ncn2ccsc12 257214758 CNIGMICSXCMFTN-HNNXBMFYSA-N 355.463 3.701 0 40 FHAB CC(C)(C)C(=O)N1CC[C@H](Cc2cccc(-c3ccc(C(=O)O)cc3)n2)C1 257343415 ZSXGXPQXHZZMCL-OAHLLOKOSA-N 366.461 3.884 0 40 FHAB COc1ccc2c(c1)[C@H](C(=O)N[C@@H](CC(=O)O)c1cccs1)CCC2 656231785 DVBMGTGAJSRKRI-ZBFHGGJFSA-N 359.447 3.509 0 40 FHAB O=C(O)[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)C1 679392630 CMLSSADNSLIGCU-GVDBMIGSSA-N 354.450 3.765 0 40 FHAB COC(=O)c1ccc(CN2CCC[C@H]2c2nc(C)c(C)[nH]2)c2ncccc12 1655569674 VIWVLWPMMJYVBN-SFHVURJKSA-N 364.449 3.698 0 40 FHAB O=C1CC[C@@]2(CCCN(Cc3ccncc3)CC2)N1Cc1ccc(F)cc1 585099944 ASXJCFSVDGMTEP-JOCHJYFZSA-N 367.468 3.768 0 40 FHAB O=C(OCc1ccccc1)c1c(Br)cncc1Br 675081676 HRXPWVRLCQOZQX-UHFFFAOYSA-N 371.028 3.964 0 40 FHAB Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1 13938132 WENYDDNJAAIWCD-GFCCVEGCSA-N 354.269 3.797 0 40 FHAB CN(C(=O)c1ccccc1NC(=O)N1CCSCC1)C1CCCCC1 56639137 KRXWOPCETNAOOB-UHFFFAOYSA-N 361.511 3.672 0 40 FHAB CCCCc1noc([C@H](C)S(=O)(=O)Cc2c(F)cccc2Cl)n1 58029421 HRLWTPJQVHXDHL-JTQLQIEISA-N 360.838 3.881 0 40 FHAB C[C@H]1C[C@@H]1c1ccc(CN(C)Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)o1 57362916 PKAGFHIPFKICOO-FZMZJTMJSA-N 369.490 3.822 0 40 FHAB CCOc1cc2c(cc1[C@H](C)c1cc(OC)c(OC)c(OC)c1)OCO2 1582275 GDUHIVCBHNKYMH-GFCCVEGCSA-N 360.406 3.992 0 40 FHAB CC(C)Cc1ccc([C@H](C)NC(=O)CSc2nnc3ccccn23)cc1 5213004 OURMZCBLXAJAIQ-HNNXBMFYSA-N 368.506 3.897 0 40 FHAB CCSc1nnc(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)s1 5254577 SWLXHKDAIIWCJB-QMMMGPOBSA-N 350.494 3.740 0 40 FHAB CCCCc1ccc(NC(=O)COC(=O)c2cccnc2OCC)cc1 5505856 KEACHBPSTRZVEF-UHFFFAOYSA-N 356.422 3.618 0 40 FHAB Cc1nc(-c2ccc(CCNC(=O)c3ccc4c(c3)OCO4)s2)cs1 12396625 YGBFHMFARDAHPH-UHFFFAOYSA-N 372.471 3.881 0 40 FHAB COc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 14006301 WSXSNXDRFUKDOG-CQSZACIVSA-N 370.449 3.630 0 40 FHAB Cc1nc2ccc(NC(=O)[C@H](C)n3c(=O)oc4ccccc43)cc2s1 14107970 CFNRBAIGNTUYIE-JTQLQIEISA-N 353.403 3.712 0 40 FHAB Cc1cccnc1CN(Cc1ccccc1)C(=O)c1ccn(C(F)F)n1 19237777 RFEFUCLKADUNMH-UHFFFAOYSA-N 356.376 3.824 0 40 FHAB O=C(Cc1ccc(Cl)c(Cl)c1)NCc1nnc(-c2cccs2)o1 19344889 QWEGAULCCLSFEU-UHFFFAOYSA-N 368.245 3.964 0 40 FHAB O=C(CCc1[nH]nc2c1CCCC2)NCC1(c2ccccc2F)CCCC1 19347938 ARDKLZNUOXUHLE-UHFFFAOYSA-N 369.484 3.988 0 40 FHAB CCOc1ccccc1-c1ccccc1NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 19659547 ONOZTZCCAGKSTC-MRXNPFEDSA-N 366.461 3.948 0 40 FHAB CN1CCCCCN[C@H](Cc2ccccc2)COc2ccccc2C1=O 618017191 HBQVCHIUCYMOJN-LJQANCHMSA-N 352.478 3.522 0 40 FHAB O=C(Nc1cccc(Br)c1)c1ccc2nc(C3CC3)cn2n1 1888911927 AGFSMRWZKJRBIH-UHFFFAOYSA-N 357.211 3.622 0 40 FHAB O=S(=O)(c1cccc2cccnc12)N1CC2(CC(c3ccccc3)C2)C1 1889283838 VUESASGYISAYMH-UHFFFAOYSA-N 364.470 3.803 0 40 FHAB Cc1c(Cl)cccc1NC(=O)C[C@H](NCCC1=CCCCC1)C(=O)O 4280134 YUIBTTUNIFTVTD-KRWDZBQOSA-N 364.873 3.910 0 40 FHAB COc1ccc(C(=O)Nc2nc3c(OC)ccc(C)c3s2)cc1OC 4331028 JDLMGECMKOXSAZ-UHFFFAOYSA-N 358.419 3.883 0 40 FHAB COc1ccccc1NC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O 5270545 OVABMEYXAFBYCO-UHFFFAOYSA-N 368.820 3.811 0 40 FHAB O=C(Cc1ccc2c(c1)OCO2)Nc1nc2c(s1)CCc1ccccc1-2 9521249 APWHKONUFSKWBD-UHFFFAOYSA-N 364.426 3.819 0 40 FHAB O=C(c1ccsc1)c1ccc(CNS(=O)(=O)c2cccs2)s1 211084842 AIWARLUTBQFGDP-UHFFFAOYSA-N 369.514 3.581 0 40 FHAB Cn1cccc1CN(Cc1cccs1)C(=O)c1ccc2nsnc2c1 49026671 KELCNEMTQHBDKU-UHFFFAOYSA-N 368.487 3.934 0 40 FHAB COc1ccc(OC)c(NC(=O)N(C)Cc2nc3ccccc3s2)c1 40097986 ORLILWSATZJORX-UHFFFAOYSA-N 357.435 3.977 0 40 FHAB C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1 40104838 GSRWBLVJOOUSMR-CQSZACIVSA-N 373.428 3.518 0 40 FHAB COc1ccc(CC(=O)Nc2ccc3[nH]c(CC(C)C)nc3c2)cc1OC 40286077 FJAYNOYFSSRUCQ-UHFFFAOYSA-N 367.449 3.960 0 40 FHAB O[C@@H](CN1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cl)cc1 20218761 UZMHUUVQFJTFET-SFHVURJKSA-N 351.277 3.849 0 40 FHAB COc1ccc(-c2csc(NC(=O)[C@@H](C)OCC(F)(F)F)n2)cc1 31679945 ZJARUPPBGSOWOG-SECBINFHSA-N 360.357 3.725 0 40 FHAB CC(C)N1CC[C@@H](CNC(=O)c2cc(Br)ccc2Cl)C1 40624709 KHJNCABPFBXPTB-NSHDSACASA-N 359.695 3.563 0 40 FHAB COc1cc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C)cc(OC)c1 29567211 KHRYWOVNIZZTDZ-UHFFFAOYSA-N 351.406 3.759 0 40 FHAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 814259 AYONYHVJUMSQDN-MRXNPFEDSA-N 360.797 3.791 0 40 FHAB CC[C@@H](C)c1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1 1000119 IPCPHCYPMPRJCO-CQSZACIVSA-N 367.478 3.907 0 40 FHAB Cc1c(-c2nnnn2-c2ccc(Br)cc2)cnc2ccccc12 1036788 LABPGHVHIQKIET-UHFFFAOYSA-N 366.222 3.948 0 40 FHAB CCc1ccccc1NC(=O)CSc1nc2sc(C)c(C)c2c(=O)[nH]1 1368222 OETOMTVIBAVNID-UHFFFAOYSA-N 373.503 3.895 0 40 FHAB COc1ccc(-c2csc(CCN3C(=O)c4ccccc4C3=O)n2)cc1 1415038 NJPGYVJMFLVTBP-UHFFFAOYSA-N 364.426 3.657 0 40 FHAB COc1ccc(C(=S)N2CCN(c3ccc(C)cc3)CC2)cc1OC 1730974 XFJZDYZXINRFNZ-UHFFFAOYSA-N 356.491 3.510 0 40 FHAB Cc1nc(CC(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cs1 21244736 JPDNCIBCBFYTQS-SECBINFHSA-N 372.368 3.583 0 40 FHAB Cc1c(C(=O)NCCc2ccc3c(c2)OCCO3)oc2c(F)cccc12 32718847 CIVSRBOGAHNFAJ-UHFFFAOYSA-N 355.365 3.624 0 40 FHAB O=C(CSc1nc2ccccc2[nH]1)Nc1ccc2c(c1)OC(F)(F)O2 4830056 MXVLYGNMTOMLAT-UHFFFAOYSA-N 363.345 3.615 0 40 FHAB CC(C)(C)OC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1 6531252 CBNXNNKSZUGMHQ-UHFFFAOYSA-N 360.479 3.945 0 40 FHAB CC1CCC(NC(=O)C[S@](=O)Cc2cccc(C(F)(F)F)c2)CC1 32765033 GFWXRNJUALKOQM-BHDDBELUSA-N 361.429 3.649 0 40 FHAB Cc1nccn1-c1ccccc1CNC(=O)COc1ccccc1Cl 20459284 AAECVAISGWSTLF-UHFFFAOYSA-N 355.825 3.529 0 40 FHAB Cc1cccc(-c2nnc3s/c(=C\c4ccc(C(C)C)cc4)c(=O)n23)c1 9189344 FRYNHGIPBOTQEM-PDGQHHTCSA-N 361.470 3.798 0 40 FHAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N(C)Cc1ccc(O)cc1 41676389 ARSSUEMFYFKOOX-UHFFFAOYSA-N 355.825 3.812 0 40 FHAB O=c1cc(-c2ccc3c(c2)OCCO3)oc2ccc(Br)cc12 630356 HMRGZLZNKJGIES-UHFFFAOYSA-N 359.175 3.994 0 40 FHAB biogenic COc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccccc1 812091 QZJULNNRXJODHA-UHFFFAOYSA-N 366.373 3.558 0 40 FHAB COc1ccc([C@H]2SC=C3Sc4nnc(C(C)C)n4N32)cc1OC 12388882 GWCZXBLAZNDEQG-OAHLLOKOSA-N 362.480 3.707 0 40 FHAB Cc1c(C(=O)OC(C)C)sc2ncn(Cc3ccc(F)cc3)c(=O)c12 958744 OOOSHSKBLMOMHR-UHFFFAOYSA-N 360.410 3.519 0 40 FHAB O=C(COc1cccc(Oc2ccccn2)c1)N1CCc2ccccc2C1 24260988 VFLLNPQHEBYIAP-UHFFFAOYSA-N 360.413 3.838 0 40 FHAB Cn1ncc2c1CCC[C@@H]2NC(=O)Nc1ccccc1OC1CCCC1 47600505 FRMSYQFPDOCECK-INIZCTEOSA-N 354.454 3.941 0 40 FHAB C[C@H](NC(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1)[C@@H]1CCCO1 54509178 DMPPTTGUCBONOX-FZMZJTMJSA-N 368.359 3.580 0 40 FHAB COc1ccc(NC(=O)c2sc(-c3cccnc3)nc2C)cc1OC 22237521 UQYQJYNSRXBHEM-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB C[C@@H]1C(=O)N2CCCc3cc(NC(=O)COc4ccc(Cl)cc4)cc1c32 101078472 PIIOOAAQEYWWJV-LBPRGKRZSA-N 370.836 3.754 0 40 FHAB c1cnc(-c2nc(CNC[C@@H](c3ccco3)N3CCCCC3)cs2)nc1 58108194 IUFGNBLNWONTIL-INIZCTEOSA-N 369.494 3.510 0 40 FHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 26527431 JKMKVPSPJRCREM-UHFFFAOYSA-N 360.218 3.581 0 40 FHAB C[C@@H](Nc1cncc(-n2cccn2)n1)c1cccc(OCc2ccccn2)c1 58154782 NCCRGCMWBLUDBZ-MRXNPFEDSA-N 372.432 3.809 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(C)C2CCCC2)cc1 20485428 NIETXACYQMDDEI-UHFFFAOYSA-N 372.490 3.810 0 40 FHAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCCNC(=O)C(C)(C)C 58264370 DRKVTIOSUWKGJH-AWEZNQCLSA-N 355.482 3.556 0 40 FHAB CCCC(=O)N1CCCC[C@@H]1C(=O)NC[C@@H](C)c1nc2ccccc2s1 78714078 SIQGPEGCIYNGQV-GDBMZVCRSA-N 373.522 3.697 0 40 FHAB CN1CCN(C(=O)c2ccc(Cl)cc2F)c2nc3ccccc3nc21 22503289 VRRNPLKOCFXTNP-UHFFFAOYSA-N 356.788 3.519 0 40 FHAB O=C(COc1ccc(F)cc1)NCCc1csc(-c2ccccc2)n1 27992267 AWFQHPJCSCFMGI-UHFFFAOYSA-N 356.422 3.687 0 40 FHAB O=C(Cn1sc2ccccc2c1=O)Nc1ccc(OC(F)(F)F)cc1 36358584 BPZNZLARJUOUQM-UHFFFAOYSA-N 368.336 3.600 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1c1ncnc2ccccc12 11247513 SRCLNOKLBNVLAL-SFHVURJKSA-N 362.433 3.554 0 40 FHAB COc1ccc(C(N)=O)cc1NC(=O)N[C@@H](c1cccs1)C1CCCC1 45645444 QVYQLIOPDNNFSH-QGZVFWFLSA-N 373.478 3.909 0 40 FHAB Cc1cc(-c2csc(CCN3CCOC3=O)n2)c(C)n1CC(F)(F)F 48366279 VEBGDBONWFZARN-UHFFFAOYSA-N 373.400 3.785 0 40 FHAB Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(OC(F)F)cc2)c(C)c1 17960447 MEGPNAWTTPWTJX-UHFFFAOYSA-N 362.376 3.582 0 40 FHAB C[C@@H](OC(=O)CCC1CCCCC1)C(=O)Nc1ccc2c(c1)OCCO2 12847401 CSZKXCWPUQRYGT-CQSZACIVSA-N 361.438 3.689 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2cnc3ccccc3n2)cc1 12951660 FVMYJXVPMFWURY-CYBMUJFWSA-N 351.431 3.952 0 40 FHAB O=C1Nc2cc(C(F)(F)F)ccc2S[C@@H]1CC(=O)N1CCCCC1 9365523 TTYGWVDEIUPJMI-CYBMUJFWSA-N 358.385 3.521 0 40 FHAB Cc1ccc(SCCNC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 8708176 WCXFRLRODHBFLN-QGZVFWFLSA-N 372.515 3.706 0 40 FHAB CCC(CC)NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 8733888 FHMYCRSGTNIERF-UHFFFAOYSA-N 370.415 3.862 0 40 FHAB CN(C)S(=O)(=O)c1ccc(-c2csc(-c3ccsc3)n2)cc1 9479024 CMQMYPQHKPZLAT-UHFFFAOYSA-N 350.490 3.789 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc2cc(C)ccc2[nH]1 6292061 VPMQPXOQUQHOHK-UHFFFAOYSA-N 371.462 3.968 0 40 FHAB O=C1C[C@H](c2nc(C34CC5CC(CC(C5)C3)C4)no2)CN1C1CCCC1 8986297 QZWOTQHZNLGSIX-IIFATDLDSA-N 355.482 3.796 0 40 FHAB CCOC(=O)Cc1ccccc1NC(=O)Cn1c(C)cc2ccccc21 71050047 XHPYSWDLVBPCAR-UHFFFAOYSA-N 350.418 3.694 0 40 FHAB O=C(NCCCSc1ccccc1)c1ccc(N2CCCC2=O)cc1 6543259 CKSWQTHPWIDTNS-UHFFFAOYSA-N 354.475 3.726 0 40 FHAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCCOc1ccc2ccccc2c1 14318969 RVWGCCOJTKAEHX-QVKFZJNVSA-N 363.413 3.563 0 40 FHAB CCc1cccc2c(C(=O)COC(=O)c3[nH]c(C)c(C(C)=O)c3C)c[nH]c12 6619993 YQZBZKJPYBBZNO-UHFFFAOYSA-N 366.417 3.918 0 40 FHAB C[C@H](OC(=O)c1ccco1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 6649177 VQDZYUPCEFZRLT-QMMMGPOBSA-N 359.712 3.718 0 40 FHAB CC[C@@H](Oc1ccccc1)C(=O)Nc1nnc(Cc2ccccc2)s1 4814239 MLHFUXOJOYFUQX-MRXNPFEDSA-N 353.447 3.925 0 40 FHAB CC(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 5826246 FJYMJSNFCNOBPH-UHFFFAOYSA-N 359.234 3.753 0 40 FHAB CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(Cl)c(Cl)c1 5959407 MDGYNVWJAXVBGG-UHFFFAOYSA-N 371.289 3.833 0 40 FHAB CC(=O)Nc1ccc(C(=O)COc2ccc(Br)cc2F)cc1 7200616 IRICORNSFHCRIA-UHFFFAOYSA-N 366.186 3.808 0 40 FHAB CCOc1ccc(OCCNC(=O)c2oc3ccccc3c2COC)cc1 7435362 IFXBHIKNTVDBPT-UHFFFAOYSA-N 369.417 3.787 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2C)cc1F 7775108 BVJLSAGZRIGTQK-LLVKDONJSA-N 360.414 3.642 0 40 FHAB C[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1 8050665 HIOWRPIYQITDAN-CQSZACIVSA-N 356.853 3.887 0 40 FHAB O=C(Cc1c(F)cccc1Cl)NCc1ccc(NC(=O)C2CC2)cc1 9364442 RGNURFOONJOHBX-UHFFFAOYSA-N 360.816 3.687 0 40 FHAB Cc1cc(C(=O)CSc2nnnn2Cc2cccs2)c(C)n1C1CC1 9608179 JYYMNPARXFLCER-UHFFFAOYSA-N 373.507 3.511 0 40 FHAB Nc1c(Cl)cc(NC(=O)[C@H]2CCCN(c3ccccn3)C2)cc1Cl 84610219 BSZLYUIGSFWEIP-NSHDSACASA-N 365.264 3.826 0 40 FHAB CCc1ccc(C(=O)c2ccccc2C(=O)N(CC)C[C@H](C)C(=O)O)s1 95989507 SHSHVKXSKKQRJI-ZDUSSCGKSA-N 373.474 3.724 0 40 FHAB CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(OC)cc1Cl 75107630 ZXQLZXGZOJJSOE-NPGVVQFXSA-N 358.891 3.550 0 40 FHAB C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1nnc(C2CC2)s1 27757290 HXXRWVNWEJRKOI-MRVPVSSYSA-N 368.256 3.584 0 40 FHAB COc1ccc(CCNC(=O)C2(c3cccc(F)c3)CCC2)cc1OC 24732973 JYVZDWLOPRXQDL-UHFFFAOYSA-N 357.425 3.624 0 40 FHAB CCC[C@H](c1nnnn1C(C)(C)CC)N1CCN(C2CCCCC2)CC1 20139865 MKMSPXRTXAXRHZ-GOSISDBHSA-N 362.566 3.610 0 40 FHAB O=C(CN1CCC[C@@H](COCc2ccccc2)C1)Nc1ccc(F)cc1F 56908431 ZBRZHIOBZFOIQT-QGZVFWFLSA-N 374.431 3.832 0 40 FHAB CCCC(=O)N1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc(OC)cc1OC 503917936 JIMJQWPAOQTXPM-IOMROCGXSA-N 361.482 3.699 0 40 FHAB biogenic COc1cc(S(=O)(=O)Nc2cccc3ccccc23)c(OC)cc1C 36636290 MCEWSOOQGBHEFK-UHFFFAOYSA-N 357.431 3.966 0 40 FHAB COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)n1 72349779 ZAXZIVNLVJZVBQ-OAHLLOKOSA-N 362.433 3.500 0 40 FHAB Cc1ccc(N[C@H]2CC(=O)N(c3ccccc3Br)C2=O)cc1C 36635815 IIUIGEXHHSZXTB-HNNXBMFYSA-N 373.250 3.810 0 40 FHAB CC1=C(c2nc(-c3ccccc3)no2)[C@@H](c2cccc(F)c2)NC(=O)N1 70635552 ZBQAYEMQQCTZLU-MRXNPFEDSA-N 350.353 3.661 0 40 FHAB COc1ccc(CCNC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 39766452 ZMZGKQHHLBEARS-UHFFFAOYSA-N 366.505 3.575 0 40 FHAB CCOC(=O)c1ccc(NC(=O)N(C)C[C@H]2CCCN3CCCC[C@@H]23)cc1 1565520268 QDWHWZNIGMLTCT-MJGOQNOKSA-N 373.497 3.592 0 40 FHAB biogenic O=C(c1cc2c(s1)CCC2)N1CCC(n2c(=O)oc3ccccc32)CC1 72347851 GOOCVVYONDWGQO-UHFFFAOYSA-N 368.458 3.622 0 40 FHAB Cc1cc(S(=O)(=O)NCCCc2cccc(OC(C)C)c2)ccc1F 225607453 WMVQZFZRIQYWIG-UHFFFAOYSA-N 365.470 3.832 0 40 FHAB COc1cc2c(cc1S(=O)(=O)N(C)Cc1ccc(C)cc1)CCCC2 225862766 LNQSJRYKEXRUFB-UHFFFAOYSA-N 359.491 3.703 0 40 FHAB Cc1ccc(C)c(OCC(=O)Nc2c(C)cc(N)cc2Br)c1 227145197 UKXLWOBCBPGTIT-UHFFFAOYSA-N 363.255 3.974 0 40 FHAB Cc1cccc(N2CCN(C(=O)Cc3ccc(Cl)cc3F)CC2)c1C 223030717 DQRPKXOSUAKYAE-UHFFFAOYSA-N 360.860 3.987 0 40 FHAB COc1cc2c(cc1S(=O)(=O)NC1CCCCCCC1)CCCC2 225119992 CQEJYHLZUNGJEW-UHFFFAOYSA-N 351.512 3.965 0 40 FHAB CN(C)[C@@H](CNC(=O)Nc1cccc(NC(=O)C2CC2)c1)c1cccs1 44103185 HKOJPQTYSUIAEO-INIZCTEOSA-N 372.494 3.521 0 40 FHAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)o1 223483035 BOYHCQAMTFFNFD-ZWKOTPCHSA-N 350.447 3.551 0 40 FHAB Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)NCc2ccncc2)n1 225204582 GZRAAPZORUXDOC-UHFFFAOYSA-N 368.441 3.549 0 40 FHAB CCOC(=O)c1sc(COC(=O)c2ccccc2)nc1C(F)(F)F 85397222 HWJMYBJJXSUSLZ-UHFFFAOYSA-N 359.325 3.696 0 40 FHAB C[C@]1(CN[C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCO[C@@H]1C1CC1 577492465 PMJDFEYRSJKWAW-BHDDXSALSA-N 354.538 3.978 0 40 FHAB Cc1ccc(CN2CCc3c(nnn3C)[C@@H]2COCc2ccccc2)s1 96060526 XYQZHBIYDLQUBP-IBGZPJMESA-N 368.506 3.501 0 40 FHAB Cc1cccc(CN2C(=O)CCC23CCN(Cc2cccs2)CC3)n1 96228299 ONIUQIMJOVMNLR-UHFFFAOYSA-N 355.507 3.609 0 40 FHAB NC(=O)c1cccc(Cc2noc(C3(Cc4ccccc4Cl)CC3)n2)c1 580256311 GJYADMYIEBHKTL-UHFFFAOYSA-N 367.836 3.687 0 40 FHAB Cc1ccccc1[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 536500224 ZYYNTTCDDJNZFX-KSZLIROESA-N 363.379 3.967 0 40 FHAB CCN(Cc1ccccc1)c1nn(-c2cc(C)cc(C)c2)nc1C(=O)O 256049084 YBTBXNNPVQBPSE-UHFFFAOYSA-N 350.422 3.609 0 40 FHAB O=C(CSc1nnc(-c2ccccc2Cl)o1)N[C@@H]1C[C@H]2CC[C@H]1C2 260492681 IKYCUVQDHMUTNY-COPLHBTASA-N 363.870 3.787 0 40 FHAB C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)N[C@H]1CCCc2occc21 287647419 RAFIUZLVKMFBAO-BBRMVZONSA-N 369.469 3.693 0 40 FHAB C[C@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2ccc(F)c(C(N)=O)c2)C1 672633193 KPSYFOJYYDVZJV-SCLBCKFNSA-N 355.413 3.930 0 40 FHAB COc1cccc([C@H](CNS(=O)(=O)c2cccc3ccccc23)OC)c1 96390291 WYXMVQFORJQAEG-IBGZPJMESA-N 371.458 3.514 0 40 FHAB CCOc1c(Cl)cc(NC(=O)NCCc2cncc(C)n2)cc1Cl 585101400 HLNPAIBIGBXUDT-UHFFFAOYSA-N 369.252 3.855 0 40 FHAB CC(C)[C@H](Sc1nnc(-c2cccs2)n1C)C(=O)N1CCCCC1 48364330 CSDBWUPDNGVGTJ-AWEZNQCLSA-N 364.540 3.673 0 40 FHAB CCC(=O)Nc1ccc([C@@H](C)NC(=O)N2CCC(n3cccc3)CC2)cc1 58210859 STHHUTWPBJRNSA-MRXNPFEDSA-N 368.481 3.944 0 40 FHAB CC(C)c1cccc(N(C)S(=O)(=O)c2ccc(CCC(=O)O)cc2)c1 63181927 BRTQGBPVGPBNIA-UHFFFAOYSA-N 361.463 3.652 0 40 FHAB CC1(C)C[C@@]2(CCCN2C(=O)C2CCOCC2)CN1c1cccc(F)c1 1615129710 WQEQPAIZWBDFKL-NRFANRHFSA-N 360.473 3.602 0 40 FHAB O=C(C1CCCCC1)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1 12129451 OJVQIIPXRZKSSX-INIZCTEOSA-N 371.506 3.716 0 40 FHAB Cc1cccc(-c2noc(C)c2C(=O)NCc2noc(-c3ccccc3)n2)c1 12203024 SXCWJYKLVAYILU-UHFFFAOYSA-N 374.400 3.938 0 40 FHAB CCOc1cc(CCC(=O)N2CCc3[nH]c4c(Cl)cccc4c3C2)on1 12275620 HCZXAKUPIONUNI-UHFFFAOYSA-N 373.840 3.726 0 40 FHAB COc1ccccc1OCCN(C)C(=O)c1ccc2c(C)c(C)[nH]c2c1 12290630 CGLFHDBFIMVSTG-UHFFFAOYSA-N 352.434 3.944 0 40 FHAB CCc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 13995888 ZGIFOSUSTWJIAW-UHFFFAOYSA-N 352.434 3.503 0 40 FHAB O=C(Oc1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1)c1cccs1 18241079 XQFVIVAAXUBOLX-GJZGRUSLSA-N 355.415 3.647 0 40 FHAB CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2Cc1cccc(F)c1 19017758 MGDMWCCHVCTMBP-YPAWHYETSA-N 370.443 3.944 0 40 FHAB Cc1ccc(C(=O)N2CCC(c3nnc(-c4scnc4C)o3)CC2)cc1 19135175 VEHVZHCIXDGMFG-UHFFFAOYSA-N 368.462 3.830 0 40 FHAB CC(=O)N[C@H](CC(=O)Nc1cccc2ccc(C)nc12)c1ccc(F)cc1 19656298 GROULJAQQCJKTC-LJQANCHMSA-N 365.408 3.888 0 40 FHAB Cc1ccc(-n2nc3c(c2NC(=O)CC2CCCCC2)C[S@](=O)C3)cc1 4105588 PCQJVPBIIOOPKJ-AREMUKBSSA-N 371.506 3.852 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 32819900 XJPIGVRQJMFAND-IBGZPJMESA-N 372.509 3.643 0 40 FHAB O=C(COc1ccccc1F)NC[C@H](O)c1ccc(-c2cccs2)cc1 1775976707 DMXNRTXBQAOSHR-KRWDZBQOSA-N 371.433 3.783 0 40 FHAB O=C(c1ccncc1)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1889975347 YKUSZPIOQLBOQA-UHFFFAOYSA-N 352.825 3.698 0 40 FHAB C[C@H](CNC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1 40103292 UWNKKTPOLRPHPZ-GFCCVEGCSA-N 366.870 3.669 0 40 FHAB COCCNc1nc2sc(C)c(C)c2c2nc(-c3ccccc3)nn12 32088674 VZVNRUFBKRKHPI-UHFFFAOYSA-N 353.451 3.681 0 40 FHAB COc1ccc([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1O 71280766 GQYXLAHASBEWOS-AWEZNQCLSA-N 371.437 3.910 0 40 FHAB CC(=O)c1ccc(N2CCN(C(=O)NCc3ccc(Cl)cc3)CC2)cc1 17066900 LCJYVJFPZMXKDP-UHFFFAOYSA-N 371.868 3.574 0 40 FHAB COc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)n2)cc1 1003145 HMYHUDKAKYRGNH-ZIAGYGMSSA-N 360.435 3.648 0 40 FHAB O=C(CSc1nc(C2CC2)nc2ccccc12)Nc1cccc(O)c1 1332678 CZWRYIMSASAMTE-UHFFFAOYSA-N 351.431 3.944 0 40 FHAB CCN(CC)CCCN(C(C)=O)c1nc(-c2ccc(OC)cc2)cs1 4215103 NANIXSMHGVUNKE-UHFFFAOYSA-N 361.511 3.904 0 40 FHAB COc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]c2=O)c1 4317840 JSIBWKHPFPNVQZ-UHFFFAOYSA-N 371.396 3.851 0 40 FHAB CC[C@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1ccc2nc(C)c(C)nc2c1 32741749 OFUGTYPTCFFMIX-RDJZCZTQSA-N 369.465 3.583 0 40 FHAB O=S(=O)(c1cccc(Nc2nc3ccccc3o2)c1)N1CCCCC1 32801323 MZKZRMBTSOFTOI-UHFFFAOYSA-N 357.435 3.746 0 40 FHAB Cc1cccc(N2CCN(C(=O)c3cc4sccc4n3C)CC2)c1C 4859374 KPTSDHZGKAROMK-UHFFFAOYSA-N 353.491 3.819 0 40 FHAB Cc1cc(C)cc(OCCOc2ccccc2/C=C2/SC(=N)NC2=O)c1 6768308 DMLDMIVENZDJSX-LDADJPATSA-N 368.458 3.900 0 40 FHAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)n1 6995386 ANGVXMFTGYLOMN-UHFFFAOYSA-N 359.495 3.751 0 40 FHAB COC(=O)c1c(NC(=O)COc2ccccc2F)sc2c1CCCC2 7167286 QMWZLURJYZZJFK-UHFFFAOYSA-N 363.410 3.570 0 40 FHAB O=C(CSCc1ccc(Cl)cc1)NC[C@@H]1COc2ccccc2O1 7454403 RRMNNKLYNOXMRU-OAHLLOKOSA-N 363.866 3.529 0 40 FHAB Cc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1NS(C)(=O)=O 10314564 WZCDINGJNUPLMI-UHFFFAOYSA-N 372.368 3.638 0 40 FHAB Cc1cnc2c(S(=O)(=O)Nc3ccc4c(c3)OCCCO4)cccc2c1 32909117 BPKZUAWIJNSQRQ-UHFFFAOYSA-N 370.430 3.505 0 40 FHAB COc1ccc(NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)cc1O 8328340 AOVRSNRZDJAFSY-UHFFFAOYSA-N 367.401 3.695 0 40 FHAB Cc1nn(CCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(C)c1Br 102614153 NETKLWUSJJMSHT-SDJAHQOYSA-N 368.319 3.593 0 40 FHAB OCCN1CCN([C@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 22043155 BMQLWINJIGEDEK-SFHVURJKSA-N 374.937 3.698 0 40 FHAB Cc1cc(C(=O)CN2CCN(Cc3ccsc3)CC2)c(C)n1C1CC1 22801390 ORLJZGMOTHIQOI-UHFFFAOYSA-N 357.523 3.502 0 40 FHAB O=C(NCCC(=O)OC1CCCCC1)Nc1ccc(Br)cc1 59254267 WGSDTBMKURSRET-UHFFFAOYSA-N 369.259 3.837 0 40 FHAB NC(=O)c1cc(-c2csc(Cc3c(F)cccc3Cl)n2)ccc1O 23624497 ORXHKMKEWMMSKO-UHFFFAOYSA-N 362.813 3.998 0 40 FHAB Clc1ccccc1-c1nnc(CSc2nnnn2C2CCCC2)o1 12569549 RWZNJTMPJBVOPX-UHFFFAOYSA-N 362.846 3.784 0 40 FHAB CCN(CCO)C(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1 89969218 SXZUSFXLEZKMMC-UHFFFAOYSA-N 350.418 3.771 0 40 FHAB Cc1noc(C)c1CNC1(c2cccc(Br)c2)CCOCC1 55055603 JGLWDOASZCEJBZ-UHFFFAOYSA-N 365.271 3.849 0 40 FHAB CCn1cc(-c2cc(O)n3nc(-c4cccc(OC)c4)c(C)c3n2)c(C)n1 100733043 GUHUHMLHSVUGOL-UHFFFAOYSA-N 363.421 3.611 0 40 FHAB CCOC(=O)c1cnc2c(-c3ccc(F)cc3)cnn2c1C(F)(F)F 1394952 AMTDFAXWGKDIQS-UHFFFAOYSA-N 353.275 3.731 0 40 FHAB C[C@H](NC(=O)[C@H]1COc2ccc(Cl)cc2C1)c1nc2ccccc2[nH]1 24991700 RJXZQIKIFUMGQX-WCQYABFASA-N 355.825 3.645 0 40 FHAB CSc1ccc(CN(C)C(=O)[C@@H](C)n2c(=O)oc3ccccc32)cc1 25008802 BFILBMANCJIYPB-CYBMUJFWSA-N 356.447 3.536 0 40 FHAB Cc1ccc([C@@H](C)N(C)C(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)s1 56092593 QEZFPYVZVHOJIK-CZUORRHYSA-N 360.454 3.768 0 40 FHAB O=C(COC(=O)Cc1ccc(Cl)cc1)Nc1ccc(OC(F)F)cc1 3271334 FQEXXYLKKPRGTK-UHFFFAOYSA-N 369.751 3.666 0 40 FHAB COc1cccc2cc([C@H](C)NC(=O)CSc3nc(C)cc(C)n3)oc12 25733000 ZLPKCTHLJBXOAX-ZDUSSCGKSA-N 371.462 3.818 0 40 FHAB CC(C)C[C@@H](CNC(=O)N[C@H](C)c1cc2ccccc2o1)N1CCOCC1 26303973 KIYNBCODIVZGBW-AEFFLSMTSA-N 373.497 3.540 0 40 FHAB COc1ccc(CCCNC(=O)CSc2ccc(C)cc2)cc1OC 65087002 CNEZYBBCSXKTFJ-UHFFFAOYSA-N 359.491 3.853 0 40 FHAB CCOc1ccc(-c2cc(C(=O)Nc3nc(C)c(C(C)=O)s3)no2)cc1 27579898 MFROBGQWZQVTJT-UHFFFAOYSA-N 371.418 3.960 0 40 FHAB O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1ccccc1F 27828334 NHSQDCGEZJPUBU-UHFFFAOYSA-N 359.209 3.965 0 40 FHAB CN1C(=O)N[C@H](c2ccccc2)C2=C1CN(c1ccc3ccccc3c1)C2=O 2272377 MXWAWWNLVBWJKF-OAQYLSRUSA-N 369.424 3.837 0 40 FHAB CCN1CCC(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 29606960 JXEGDEJTUGACJW-UHFFFAOYSA-N 365.688 3.626 0 40 FHAB COc1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1OC 2325434 DSJDEEFNILUAFQ-UHFFFAOYSA-N 358.825 3.811 0 40 FHAB biogenic CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccccn1 2371322 WTRYBUZJDKHQQT-UHFFFAOYSA-N 358.854 3.988 0 40 FHAB O=C(CSc1nnc(N2CCCC2)n1C1CC1)c1c[nH]c2ccccc12 11376593 JVJZGQLEWXJARY-UHFFFAOYSA-N 367.478 3.670 0 40 FHAB COC(=O)C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)c1ccccc1 12877814 DOYGGOSCWLHTDD-MRXNPFEDSA-N 366.442 3.844 0 40 FHAB CC(C)(C)c1nc(CSc2nnc([C@H]3COc4ccccc4O3)o2)no1 36735363 IVWXMYZVKWUYSU-GFCCVEGCSA-N 374.422 3.555 0 40 FHAB O=C(O[C@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccc(CO)cc1 12940322 UDRNMGVFNXPTCR-FQEVSTJZSA-N 361.397 3.716 0 40 FHAB CCC[C@@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccccc1 12927953 BVJOBEKXPLPYAP-GOSISDBHSA-N 361.445 3.614 0 40 FHAB CCn1ncc(Br)c1C(=O)N[C@H](C)c1ccc(C)cc1C 28236812 GWYNDVJRSNKRCX-GFCCVEGCSA-N 350.260 3.773 0 40 FHAB Cc1noc(C2CCN(C(=O)N[C@H](C)c3ccc(F)c(Cl)c3)CC2)n1 64227491 HIVJKGQHGIPXHD-SNVBAGLBSA-N 366.824 3.821 0 40 FHAB Cc1cc(C)c(NC(=O)CNC(=O)C2(c3cccc(F)c3)CCC2)c(C)c1 25044235 XVFXBALGBMDCTD-UHFFFAOYSA-N 368.452 3.928 0 40 FHAB O=C(/C=C/c1ccccc1F)NCc1ccc(N2CCCCCC2)nc1 65475892 AWYFVPRUTPVPFJ-ZRDIBKRKSA-N 353.441 3.931 0 40 FHAB CC[C@H](C)c1ccccc1NC(=O)CN1C(=O)NC2(CCCCCC2)C1=O 4469589 YQQRICGUFFDPAJ-HNNXBMFYSA-N 371.481 3.783 0 40 FHAB C[C@H](Sc1ncn(-c2ccccc2)n1)C(=O)N(C)Cc1cccc(F)c1 14085011 IBRIUFAKERZPRK-AWEZNQCLSA-N 370.453 3.546 0 40 FHAB CCCOc1cccc(C(=O)Nc2nonc2-c2ccc(OC)cc2)c1 5352982 YEDYXRXYMMWTKY-UHFFFAOYSA-N 353.378 3.786 0 40 FHAB Cc1noc(C)c1C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 14183501 ZFDFYVCSNBYZCH-UHFFFAOYSA-N 350.300 3.748 0 40 FHAB COc1ccc2cc(CN(C)Cn3c(=S)nc4ncccn43)ccc2c1 14138126 PREJZHCXYZHLSG-UHFFFAOYSA-N 365.462 3.512 0 40 FHAB O=C(c1ccccc1)N1CCC[C@@]2(CC1)CN(Cc1cccs1)CCO2 306127445 FYSTUBWDCPCJEY-OAQYLSRUSA-N 370.518 3.645 0 40 FHAB C/C=C/c1ccc(Oc2ccc3nnc(C(F)(F)F)n3n2)c(OC)c1 14212862 YRRBYMKAUQFHHL-ONEGZZNKSA-N 350.300 3.977 0 40 FHAB COCCOc1ccc(Br)cc1C(=O)Nc1ccccc1 8722984 MDYOLXRKIBICDU-UHFFFAOYSA-N 350.212 3.727 0 40 FHAB C[C@H]1C[C@H](c2ccccc2)n2ncnc2N1C(=O)c1cccc(Cl)c1 4732693 CQCNMYANXOXKSD-SUMWQHHRSA-N 352.825 3.960 0 40 FHAB O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 5749790 JSSGLKUGHVIUAV-UHFFFAOYSA-N 363.244 3.592 0 40 FHAB O=C(OCC(=O)N1CCCCCC1)C(c1ccccc1)c1ccccc1 5861250 MKGWOGVUMJNROI-UHFFFAOYSA-N 351.446 3.764 0 40 FHAB O=C(CSc1nncn1-c1cccc(Cl)c1)c1ccc2c(c1)OCO2 5890990 BLUHITSTXXCMEQ-UHFFFAOYSA-N 373.821 3.624 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)CNc2ccc(F)cc2Cl)c1 15293179 FWXJBHLQVGEDGV-UHFFFAOYSA-N 350.777 3.625 0 40 FHAB CC1CCC(N(C)C(=O)CSc2nncn2-c2ccccc2F)CC1 7049627 AZDDZAAFODPBOT-UHFFFAOYSA-N 362.474 3.536 0 40 FHAB COc1ccc(NC(=O)Cn2c(Cl)nc3ccccc32)cc1Cl 7453259 AZYBJDFCHFLXPU-UHFFFAOYSA-N 350.205 3.990 0 40 FHAB C[C@@]1(CCc2ccccc2)NC(=O)N(Cc2nc3ccccc3s2)C1=O 8132099 SYGCIDNXUYMSDL-FQEVSTJZSA-N 365.458 3.740 0 40 FHAB Cc1sc(NC(=O)C(C)(C)C)nc1-c1ccc2c(c1)NC(=O)[C@@H](C)O2 19796576 PFQQAZBDKCSQON-SECBINFHSA-N 359.451 3.823 0 40 FHAB COc1ccccc1-c1nn(-c2ccccc2)cc1CNC[C@@H]1CCCO1 9376745 NBTAHEKVOYQSJR-IBGZPJMESA-N 363.461 3.817 0 40 FHAB COP(=O)(OC)c1nc(-c2ccco2)oc1NCCc1ccccc1 27061846 NLNYEJQNGWNMJI-UHFFFAOYSA-N 362.322 3.700 0 40 FHAB CSc1nsc(NC(=O)COc2ccccc2-c2ccccc2)n1 9337543 SKTZECLMCNSRDE-UHFFFAOYSA-N 357.460 3.945 0 40 FHAB O=C(NC[C@@H]1CCCO1)[C@H](Sc1nc2ccccc2o1)c1ccccc1 9583656 DKXHYMJLOXDAEO-MAUKXSAKSA-N 368.458 3.956 0 40 FHAB COc1cccc(-c2[nH]ncc2C(=O)NCc2ccc(OC(C)C)cc2)c1 72329253 NEXKMZFITSWVPX-UHFFFAOYSA-N 365.433 3.803 0 40 FHAB CC[C@H](C)NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C 409002299 NAQUEPRSZRMKAL-UWJYYQICSA-N 366.505 3.874 0 40 FHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1c2c(nn1C)CCC2 95373503 ZQWSDXLOTLQHIX-UHFFFAOYSA-N 360.483 3.516 0 40 FHAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 98212260 SLRRSQYAMUQRCP-QGZVFWFLSA-N 351.381 3.782 0 40 FHAB COc1cc(/C=C/C(=O)N2CCc3[nH]c4ccccc4c3C2)cc(OC)c1 9902490 KBFQASVQTMIGDS-BQYQJAHWSA-N 362.429 3.783 0 40 FHAB CC(C)C[C@@H]1COCCN1c1cc(C(F)(F)F)nc(-c2cccnc2)n1 75103550 OYVJHCSBNDLEJT-CQSZACIVSA-N 366.387 3.809 0 40 FHAB COCCCN1C(=O)S/C(=C\c2c(OC)ccc3ccccc23)C1=O 409243945 ZJLSWPJYJIAJJI-ATVHPVEESA-N 357.431 3.921 0 40 FHAB Cc1nc(CNC(=O)c2cnn(C3CCCCC3)c2C)nc2ccccc12 543752447 UPJFTDFONREWSG-UHFFFAOYSA-N 363.465 3.878 0 40 FHAB O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ccc2c(c1)OCCCO2 23041990 CCSVKCXZMCSDCQ-UHFFFAOYSA-N 373.277 3.725 0 40 FHAB Cc1cc(C)cc(NC(=O)[C@H]2CCC(=O)N2C(=O)OCc2ccccc2)c1 408738314 RMFSDGJXENEKBA-GOSISDBHSA-N 366.417 3.570 0 40 FHAB CCN(CC)c1nc(C)cc(C(=O)Nc2ccc(Br)cc2)n1 72240387 ACWUDVWWDNJBMP-UHFFFAOYSA-N 363.259 3.646 0 40 FHAB COc1cccc(O[C@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)c1 216474883 ODFLWKVIHAKSGV-QGZVFWFLSA-N 371.477 3.999 0 40 FHAB CSc1nc(C)c(CCC(=O)OCc2nc3ccccc3o2)c(C)n1 7438346 ANPZWDRXNTYXKN-UHFFFAOYSA-N 357.435 3.633 0 40 FHAB COCc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)ccc1OC 224400352 KHLYDLUKDULLDF-UHFFFAOYSA-N 353.462 3.937 0 40 FHAB COC(=O)c1cccc(NC(=O)COc2cccc3c2CCCC3)c1C 222831472 PHZSZDBNJZATSV-UHFFFAOYSA-N 353.418 3.678 0 40 FHAB COc1ccccc1CCNC(=O)c1sc(NC2CCCC2)nc1C 40285497 AYBUQCNMWLHKLK-UHFFFAOYSA-N 359.495 3.787 0 40 FHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 225053855 VQSUXNVIVWGXHB-RBUKOAKNSA-N 366.505 3.870 0 40 FHAB CCOC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(C)c(C)c2)cc1 223000221 JNOYWKYCIJUUDQ-UHFFFAOYSA-N 362.451 3.697 0 40 FHAB COc1ccc(CN(C)C(=O)COc2ccc3c(c2)CCCC3)cc1OC 223766024 IQJXDUGOGIHFEK-UHFFFAOYSA-N 369.461 3.620 0 40 FHAB Cc1ccc(CN2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)CC2)s1 96047536 YXAAGUPRVYGFPN-OAQYLSRUSA-N 369.534 3.999 0 40 FHAB Fc1ccc(CN2CCCn3cnc(COCc4ccco4)c3C2)cc1 96059038 MYPJGRLTZPQURQ-UHFFFAOYSA-N 355.413 3.738 0 40 FHAB Cc1ccc(F)cc1NC(=O)c1cc2c(=O)n3cccc(C)c3nc2s1 96347324 MIQGQXZPLSOIGS-UHFFFAOYSA-N 367.405 3.917 0 40 FHAB O=C(CC1=CCCCC1)N1Cc2cccn2[C@H](COCc2ccccn2)C1 247864984 OFZFIXWJHHVRQU-NRFANRHFSA-N 365.477 3.874 0 40 FHAB c1cc2n(c1)[C@H](CCOCC1CCOCC1)CN(Cc1ccsc1)C2 253588399 BGWQWYGVWAFFLP-HXUWFJFHSA-N 360.523 3.940 0 40 FHAB CCC[C@]1(CO)CCN(C(=O)c2ccc(OC3CCC3)cc2Cl)C1 585085111 GZHSBGVQMANVQW-IBGZPJMESA-N 351.874 3.896 0 40 FHAB CCNC(=O)N(C)c1cccc(NC(=O)N2CCCC(F)(F)CC2)c1 626547611 PRDAZBVZBFIWPF-UHFFFAOYSA-N 354.401 3.505 0 40 FHAB Cc1ccnc(C)c1NC(=O)C1CCN(c2nc3ccccc3o2)CC1 643903108 PELKXAWUBWRUMQ-UHFFFAOYSA-N 350.422 3.695 0 40 FHAB O=C(N[C@H]1CCc2c(F)cccc21)N(CCO)[C@@H]1CCCc2ccccc21 674148602 JSGUCPOZIYKSQD-LEWJYISDSA-N 368.452 3.895 0 40 FHAB COCc1cccc(C(=O)Nc2ccccc2I)c1 14200199 PDDHTDVDTGRNOZ-UHFFFAOYSA-N 367.186 3.690 0 40 FHAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc(-c2nccs2)c1 58202787 YLYMOVLSHMHQFB-INIZCTEOSA-N 369.446 3.796 0 40 FHAB Cc1cccc(NC(=O)[C@@H](C)Sc2nnnn2-c2c(C)cccc2C)c1 5391614 JFGFJVVDQXMFDC-OAHLLOKOSA-N 367.478 3.707 0 40 FHAB Cc1cccc(OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 15544133 CLALGIHRUYRHJB-SFHVURJKSA-N 353.418 3.509 0 40 FHAB COc1c(S(=O)(=O)NCc2cccs2)ccc(Cl)c1Cl 16780493 PLPICLYOFBYDDX-UHFFFAOYSA-N 352.264 3.542 0 40 FHAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc(Br)cc1 7305779 DIJFSRWKUWNWGP-JTQLQIEISA-N 358.232 3.628 0 40 FHAB CCOc1ccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1 5980382 WBWJNNQNFAZUSO-UHFFFAOYSA-N 374.746 3.558 0 40 FHAB CC(C)(C)C(=O)COC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 9219682 LFMJJJGPSWLWGS-UHFFFAOYSA-N 365.227 3.611 0 40 FHAB Brc1csc(CN2CC[C@@H]3CN(c4ccccn4)C[C@H]32)c1 1889102956 PXQVAQQWPMLCBT-IUODEOHRSA-N 364.312 3.616 0 40 FHAB CCn1cc(C(=O)Nc2cccc(C)c2)c2nn(-c3ccccc3)c(=O)c-2c1 9661431 IWUURFSVSQYJEX-UHFFFAOYSA-N 372.428 3.719 0 40 FHAB Cc1cccc2sc(NC(=O)CCCS(=O)(=O)c3ccccc3)nc12 10218254 IIVSBYSVCATJGA-UHFFFAOYSA-N 374.487 3.797 0 40 FHAB CCN(Cc1cccc(F)c1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 40104252 XUBSELLORDACDW-UHFFFAOYSA-N 355.413 3.772 0 40 FHAB CN(C)[C@H](CNC(=O)Nc1ccccc1N1CCCC1)c1ccc(F)cc1 40152260 UNRHLRFWMOOZDG-HXUWFJFHSA-N 370.472 3.850 0 40 FHAB CCCCn1c(=O)c(C(=O)Nc2ccc(Cl)cn2)c(O)c2ccccc21 100680451 QMJNAVOHTSYDON-UHFFFAOYSA-N 371.824 3.808 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCC(C)C)c2)cc1 644912 PHHURNROWAFMMI-UHFFFAOYSA-N 360.479 3.572 0 40 FHAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCc1nc2ccccc2s1 2633771 FWHZTYCJGUGVQC-SFHVURJKSA-N 368.458 3.794 0 40 FHAB CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 3881972 DBEPLOCGEIEOCV-BQWCRQDRSA-N 372.553 3.815 0 40 FHAB in-man CC(=O)c1ccc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)s1 32776814 NGXPJNUTTBISOU-CZUORRHYSA-N 371.458 3.690 0 40 FHAB C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CC1)c1ccc(-c2ccccc2)cc1 32827244 QLOUMEIQTBRCNK-KKSFZXQISA-N 362.473 3.932 0 40 FHAB CCn1nnnc1NCc1cc(Cl)ccc1OCc1ccc(F)cc1 8339959 AIOIVZXBIABODR-UHFFFAOYSA-N 361.808 3.677 0 40 FHAB Cc1cnc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@@H](C)C3)cn1 32931874 LCHGZLFJHVMGBV-LLVKDONJSA-N 373.478 3.789 0 40 FHAB CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(Oc2cccc(C)c2)cc1 32995948 NCYFNDZHNQIQNN-KDOFPFPSSA-N 355.438 3.809 0 40 FHAB Cc1cccc(C(=O)NCCc2cccs2)c1NC(=O)c1ccco1 32906354 QAHTUYSCXFJVHR-UHFFFAOYSA-N 354.431 3.874 0 40 FHAB COc1ccccc1-c1nn2c(O)cc(COc3ccccc3)nc2c1C 100776136 KVWIZDIYHQNUAC-UHFFFAOYSA-N 361.401 3.998 0 40 FHAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1ccc(Br)o1 22531513 RGRRWQLOZAHTRV-UHFFFAOYSA-N 373.586 3.824 0 40 FHAB CN(CC(=O)N1CCCC1)C(=O)c1cc2sc3ccccc3c2s1 53625438 HEYYZMUVSQHOLH-UHFFFAOYSA-N 358.488 3.810 0 40 FHAB COc1ccc(OCc2ccc(C(=O)N[C@@H](C)c3ccncc3)o2)cc1 28230710 PXLSEISJCGIOJJ-AWEZNQCLSA-N 352.390 3.753 0 40 FHAB CC(C)c1ccc(OCC(=O)NC(=S)Nc2ccc(F)cc2F)cc1 1004674 SECSUUQILSFJBD-UHFFFAOYSA-N 364.417 3.980 0 40 FHAB Cc1ccc(Nc2nn(CN3CCOCC3)c(=S)s2)cc1Cl 23641643 FUSPTNKWCCCWGE-UHFFFAOYSA-N 356.904 3.669 0 40 FHAB Cc1ccc([C@H](C)N(C)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)cc1 47580561 AXPFHMPGIGDMEW-INIZCTEOSA-N 369.465 3.687 0 40 FHAB CCCc1n[nH]c(=S)n1CC(=O)Nc1nc2c(s1)CCCCCC2 55375106 OUZMDMHHGRHDHT-UHFFFAOYSA-N 365.528 3.647 0 40 FHAB CCCN(C(=O)c1ccc([S@](C)=O)cc1)[C@H]1CCc2ccccc2C1 56351791 GWDWTDQWYQCLDN-UQBPGWFLSA-N 355.503 3.834 0 40 FHAB O=C(NC[C@@H]1CCCO1)c1ccccc1SCc1cn2ccccc2n1 108447974 CDKLATVFYBMQKX-INIZCTEOSA-N 367.474 3.535 0 40 FHAB CC[N+]1=C(/C=C\Nc2ccccc2)C(C)(C)c2cc(S(=O)(=O)O)ccc21 44713449 DZZLKLFMSFKOPT-UHFFFAOYSA-O 371.482 3.955 0 40 FHAB COc1cc(CNCCCn2ccnc2)ccc1OCc1ccc(F)cc1 10314003 FRWRWHUYRCOOFL-UHFFFAOYSA-N 369.440 3.790 0 40 FHAB CCn1nc(C)c2c(C(=O)Nc3ccc(-n4cccn4)cc3)cc(C)nc21 28244373 UDROHLWEXYUSRZ-UHFFFAOYSA-N 360.421 3.506 0 40 FHAB Cc1ccc([C@@]2(C)NC(=O)N([C@@H](C)C(=O)c3cccc(Cl)c3)C2=O)cc1 3363442 FYEYOOFUSRPJTI-RNODOKPDSA-N 370.836 3.687 0 40 FHAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(NC(C)=O)s2)cc1 11110398 LACKCXXLTUPQHB-LLVKDONJSA-N 361.419 3.533 0 40 FHAB COC(=O)c1ccc(COC(=O)C(c2ccccc2)c2ccccc2)o1 3312049 CQGXUGZKBBQRFY-UHFFFAOYSA-N 350.370 3.942 0 40 FHAB CCCC[C@@H](CC)CN[C@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)O 3354672 QDKTVLIHTGGCJU-CZUORRHYSA-N 354.878 3.928 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)c1cc(C2CC2)nc2onc(C)c12 12781832 BKHLAXUQAFSPPA-NSHDSACASA-N 351.406 3.908 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCc1ccccc1F 12857034 XLIXIPZDMLEWKI-UHFFFAOYSA-N 366.440 3.687 0 40 FHAB O=C(COc1ncnc2scc(-c3ccccc3)c12)N1CCCCC1 3449772 NCUHHIDCMBYKJN-UHFFFAOYSA-N 353.447 3.750 0 40 FHAB Cc1cc(NC(=O)COC(=O)c2sc3ccccc3c2Cl)no1 3447994 NBCDIQLFLJDQGO-UHFFFAOYSA-N 350.783 3.647 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)CSc1nnc(C(F)(F)F)n1C 3414208 DUEABEQEGQDLEB-UHFFFAOYSA-N 372.416 3.997 0 40 FHAB COc1ccccc1NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 3403526 SWNHSBYERUBIID-QGZVFWFLSA-N 352.478 3.977 0 40 FHAB Cc1noc(C)c1COc1cccc(C(=O)Oc2ccc3c(c2)OCO3)c1 3551544 RQLJTRHYAIIOIC-UHFFFAOYSA-N 367.357 3.818 0 40 FHAB COc1ccc(C2(CNC(=O)Nc3ccccc3F)CCOCC2)cc1 49520559 GHFVERVZDDSQAQ-UHFFFAOYSA-N 358.413 3.704 0 40 FHAB O=C(Nc1ccccc1OCC1CC1)N1CCCN(CC(F)(F)F)CC1 77728558 ZFPSKWGMIDBNGZ-UHFFFAOYSA-N 371.403 3.577 0 40 FHAB Cc1cc(S(N)(=O)=O)cc(NC(=O)C2CCC(C(C)(C)C)CC2)c1C 39969504 VJGGUCAWRMGJBE-UHFFFAOYSA-N 366.527 3.742 0 40 FHAB CCCNC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 13955638 KSULZCSXZMHSED-NRFANRHFSA-N 361.445 3.629 0 40 FHAB CC[C@@H](C)NC(=O)CSCCCC(=O)Nc1c(C)cc(C)cc1C 6313865 YKFDSXMQIUBZBR-MRXNPFEDSA-N 350.528 3.978 0 40 FHAB CSc1cccc(NC(=O)CSc2nc(-c3cccs3)n[nH]2)c1 8735385 CSQVDFULUMTJPC-UHFFFAOYSA-N 362.505 3.986 0 40 FHAB CC1=C(C(=O)OCC(C)C)[C@@H](c2cccs2)N2C(=O)[C@H](C)SC2=N1 6455719 GCMKKOVMTIAZBL-SMDDNHRTSA-N 364.492 3.596 0 40 FHAB CCC[C@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 4601887 NEHKMXXPXBHAFT-HNNXBMFYSA-N 368.477 3.965 0 40 FHAB COc1ccc(Nc2nc(N3C[C@@H](C)C[C@H](C)C3)nc3c2cnn3C)cc1 6901081 NMPKYGAFHNQGLD-KBPBESRZSA-N 366.469 3.598 0 40 FHAB O[C@H](COc1ccccc1)CSc1ncnc2sc3c(c12)CCC3 7198155 DDNSRXNJDLCRJM-GFCCVEGCSA-N 358.488 3.712 0 40 FHAB Cn1c(CN2CCCCc3cc(Br)ccc32)nnc1C1CC1 92844058 AEVDNLLXLHQZDO-UHFFFAOYSA-N 361.287 3.798 0 40 FHAB CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 7262250 WICGQRFYTASRRF-UHFFFAOYSA-N 360.479 3.750 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 15966749 UDWNQJFNONNLPP-IRXDYDNUSA-N 366.461 3.542 0 40 FHAB COC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccn1 7991050 DACRATYYMUANOH-UHFFFAOYSA-N 350.403 3.639 0 40 FHAB O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCC(Cc2ccccc2)CC1 8216245 AFJCMLYWQUHTOF-FQEVSTJZSA-N 362.473 3.521 0 40 FHAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1cccc(-n2cccc2)c1 9836026 DIBWGESLDIBIBL-UHFFFAOYSA-N 359.429 3.534 0 40 FHAB Cc1occc1-c1nnc(S[C@@H]2C[C@@H](C)OC2=O)n1Cc1ccccc1 9722125 MVVRBMGUJZZIMK-MLGOLLRUSA-N 369.446 3.691 0 40 FHAB CCOc1ccccc1O[C@@H]1CCC[C@H]1NC(=O)CC[C@@H]1CCCCO1 72296977 FYLGTANJAIURBY-RCCFBDPRSA-N 361.482 3.851 0 40 FHAB O=C(OCc1nc2cc(Br)ccc2[nH]1)c1ccc(Cl)nc1 97164542 CSZMVYQZCCSBOV-UHFFFAOYSA-N 366.602 3.731 0 40 FHAB Cc1cc(C(=O)N(CC(=O)OC(C)(C)C)c2ccc3c(c2)OCO3)c(C)o1 78976121 GISDVEGRVSBJMP-UHFFFAOYSA-N 373.405 3.614 0 40 FHAB C[C@H](OC(=O)c1ccccc1)C(=O)N(C)Cc1nc2ccccc2s1 22564071 HXTPCRHHEVVLQA-ZDUSSCGKSA-N 354.431 3.500 0 40 FHAB CCN(CC)CCN(C[C@H]1CCOC(C)(C)C1)C(=O)c1cccs1 27579194 JCUYZXDUHIMLFN-INIZCTEOSA-N 352.544 3.737 0 40 FHAB CC(C)Cn1cnc2c1C1(CCN(C(=O)C3CC3)CC1)Oc1ccccc1-2 306131016 JUVDTJOIELEEAH-UHFFFAOYSA-N 365.477 3.826 0 40 FHAB O=C1NC(=O)/C(=C\c2c(OCc3ccc(F)cc3)ccc3ccccc23)N1 409043974 AHUKFBYEVIXORF-WOJGMQOQSA-N 362.360 3.738 0 40 FHAB CC[C@H](C)Cc1c(C)sc2[nH]c(SCc3noc(C)n3)nc(=O)c12 30514918 AIUJYHWLRCLSLV-QMMMGPOBSA-N 364.496 3.865 0 40 FHAB O=C(C1CCCC1)N1CCN(C2CCCC2)C[C@@H](Cc2ccccn2)C1 72355175 UABDZRKSNAQVDM-GOSISDBHSA-N 355.526 3.517 0 40 FHAB CC(=O)N1CCCC[C@H]1Cc1c(C(=O)NC(C)C)sc2ccccc12 72370459 GXVCYMBNLNQQJE-HNNXBMFYSA-N 358.507 3.983 0 40 FHAB COC(=O)c1ccc(NC(=O)N(C)Cc2ccccc2N2CCCC2)cc1 48007827 FFMDTMRBRJPXJG-UHFFFAOYSA-N 367.449 3.737 0 40 FHAB CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 135635227 QCUURPHWUYQVRL-UHFFFAOYSA-N 373.261 3.777 0 40 FHAB O=C(Nc1cccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1)[C@H]1CCCO1 40051384 ITAMIXQWAPNZQD-ZYSHUDEJSA-N 356.466 3.599 0 40 FHAB COc1cccc(OCC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 222793820 XNZJAQJQGLONCO-GOSISDBHSA-N 355.434 3.801 0 40 FHAB O=C(Nc1cccc(NC(=O)C2(C(=O)O)CCCC2)c1)c1cccs1 517571243 NGDDCRDXINCJPZ-UHFFFAOYSA-N 358.419 3.584 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)CCc1nc(-c2cccc(F)c2)no1 225801586 TWBOCOCBXQIEHV-HNNXBMFYSA-N 367.424 3.946 0 40 FHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1nccs1 222727458 YEUFFKBZZZBQOU-HZPDHXFCSA-N 369.519 3.548 0 40 FHAB Fc1ccc(CN2CCC3(CC2)C[C@@H](OCc2cccnc2)CO3)cc1 96047878 VDSIUEWTRBAYFJ-HXUWFJFHSA-N 356.441 3.561 0 40 FHAB C[C@H](Cc1ccccn1)NC(=O)[C@@H](c1ccccc1)N1CCCC[C@H]1C 253608646 SUAITDBMAAHHOH-DBXWQHBBSA-N 351.494 3.745 0 40 FHAB CN1C(=O)CN(Cc2cc(-c3ccccc3Cl)on2)Cc2ccccc21 1620429383 QOOXTHQXZCZTGG-UHFFFAOYSA-N 367.836 3.974 0 40 FHAB C[C@]12COC[C@@H]1CN(C(=O)N[C@@H](Cc1ccccc1)c1ccccc1)C2 663470116 JKWQXTQGCRBZJP-ONTIZHBOSA-N 350.462 3.648 0 40 FHAB CCCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1CCC1)C2 585107208 RQTOTHZRMPFXGY-JOCHJYFZSA-N 364.493 3.720 0 40 FHAB Cc1cc(CN2CCc3oc(C(=O)N4CCC[C@H](C)C4)nc3C2)ccc1F 585112050 KMTXUSFCAAFNTR-AWEZNQCLSA-N 371.456 3.553 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)N1CCO[C@@H](c2ccc(Cl)cc2)C1 56344224 KGBVEEMOLFCSLP-QGZVFWFLSA-N 360.797 3.674 0 40 FHAB O=C(Nc1ccn(CCc2ccncc2)n1)c1ccc(OCC2CC2)cc1 58186262 MXYXMVKFYYYGJR-UHFFFAOYSA-N 362.433 3.562 0 40 FHAB Cc1c(CN2CCN(c3ccccc3O)CC2)noc1-c1ccc(F)cc1 57336177 VZKIESSLXJAYML-UHFFFAOYSA-N 367.424 3.817 0 40 FHAB CC(C)[C@H](OC[C@@H]1CCCO1)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 58419455 GRECIFYPVYKRFI-NHYWBVRUSA-N 361.269 3.734 0 40 FHAB COc1ccccc1CC(=O)N1CCC(c2ccc3cccnc3n2)CC1 655265198 KDQXZGUOYNISIJ-UHFFFAOYSA-N 361.445 3.587 0 40 FHAB CCOc1ccc(/C=C(/NC(=O)c2ccccc2C)C(=O)O)cc1OCC 12660316 GQYSHFJQFCELLN-SFQUDFHCSA-N 369.417 3.648 0 40 FHAB O=C(Cn1nnc2ccccc21)Nc1nc(-c2c[nH]c3ccccc23)cs1 14344372 DJNLZOYLTDFUSQ-UHFFFAOYSA-N 374.429 3.675 0 40 FHAB CC[C@@H](C)C(=O)N(C)C1CCC2(CC1)CN(C(C)=O)Cc1ccccc1O2 19499762 QYSAEQUOHMMYEK-IDMYKUQPSA-N 372.509 3.613 0 40 FHAB COc1cccc(-c2nc3sccn3c2CN(C)Cc2cc(C)[nH]n2)c1 19656961 RYDYJIRAHGFXNW-UHFFFAOYSA-N 367.478 3.735 0 40 FHAB O=C(Nc1ccc(F)cc1)C(=O)c1c[nH]c2ccc(Br)cc12 2570393 HZYNJXXHRZLEAM-UHFFFAOYSA-N 361.170 3.891 0 40 FHAB CCCC(=O)NC(=S)Nc1cc(Cl)ccc1-c1ccc(C(=O)O)o1 226350515 OHAYHNRWDLWQLX-UHFFFAOYSA-N 366.826 3.911 0 40 FHAB Cc1ncsc1C(=O)N1CC(n2c(C(C)(C)C)nc3ccccc32)C1 1889211946 GEXOEQXPJHPAMV-UHFFFAOYSA-N 354.479 3.796 0 40 FHAB COc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cccs2)c1 21821275 NICFTVLCGUNPCZ-UHFFFAOYSA-N 374.439 3.755 0 40 FHAB COc1cccc(OC)c1C(=O)N1CCN=C1SCc1ccccc1C 4120013 VOJJQPRDOMXJQN-UHFFFAOYSA-N 370.474 3.757 0 40 FHAB O=S1(=O)N=C(SCc2ccccc2Cl)Nc2ccc(F)cc21 9762026 HVGZXMIIBBWABF-UHFFFAOYSA-N 356.831 3.883 0 40 FHAB O=C(CSc1ccc(F)cc1)NC[C@@H](O)c1csc2ccccc12 585372806 YBOJVPQSDYBRKQ-MRXNPFEDSA-N 361.463 3.982 0 40 FHAB COc1ccc2sc(N3CCN(Cc4ccncc4F)[C@H](C)C3)nc2c1 2298071702 QQNNGEKNDPZJCL-CYBMUJFWSA-N 372.469 3.550 0 40 FHAB CCOc1ccccc1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10445409 OFKVEOSWRTYQBG-UHFFFAOYSA-N 352.434 3.576 0 40 FHAB CC(=O)NCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(Cl)s2)s1 40012302 TYQCNWMLWJLJMD-QMMMGPOBSA-N 371.867 3.527 0 40 FHAB O=C(NCc1ccccc1F)N1CCN(Cc2cccc(Cl)c2)CC1 31723527 GJRKQIXIIAAZRG-UHFFFAOYSA-N 361.848 3.507 0 40 FHAB Cc1ccc(CN(C)C(=O)CSc2nnc(Nc3ccccc3)s2)o1 11541348 LPCUKHBIHCKWIX-UHFFFAOYSA-N 374.491 3.934 0 40 FHAB Cc1cccc(OCCCN2C(=O)C(=O)c3cc(Br)ccc32)c1 11612346 DFVQIQQPEXEUTA-UHFFFAOYSA-N 374.234 3.756 0 40 FHAB Cc1cc(NC(=O)c2cc3c(s2)CCCCCC3)ccc1-n1cnnn1 29524406 GETUHCBOVDMSIG-UHFFFAOYSA-N 367.478 3.944 0 40 FHAB CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC1CCCCC1 60019487 YFZSVJJHPWAULZ-QFIPXVFZSA-N 366.505 3.972 0 40 FHAB O=C(NC(=S)Nc1cccnc1)c1cc(Br)ccc1Cl 1000639 PFEMKKZTLNRLCF-UHFFFAOYSA-N 370.659 3.624 0 40 FHAB Clc1cccc(-c2cc3nc4c(c(N5CCOCC5)n3n2)CCCC4)c1 1341684 MEVRLBIBNMVYDC-UHFFFAOYSA-N 368.868 3.765 0 40 FHAB O=C1N[C@@H](c2cccc(Cl)c2)N2C(=O)N[C@@H](c3cccc(Cl)c3)N12 1716055 JXKOXGKHXQVSCQ-ZIAGYGMSSA-N 363.204 3.656 0 40 FHAB CCn1cc(Cl)c(CN(C)C(=O)c2cc(-c3cccs3)on2)n1 2803121 RSSFDIJMGOCDRY-UHFFFAOYSA-N 350.831 3.545 0 40 FHAB CCCN1C(=O)c2[nH]nc(-c3cccc(OC)c3)c2[C@H]1c1cccc(O)c1 6747890 LORSLIAMKIJKRH-HXUWFJFHSA-N 363.417 3.746 0 40 FHAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2c(C)cccc2C)cc1 6880267 WFSHYNZSMXVCNJ-UHFFFAOYSA-N 374.506 3.563 0 40 FHAB CCc1ccc(OC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)cc1 7928758 GEOGUWDGIWPSGT-AWEZNQCLSA-N 373.836 3.870 0 40 FHAB CC(C)c1ccc(CS(=O)(=O)[C@@H](C)C(=O)NCC2CCCCC2)cc1 32929683 QHZRRUSJSQIJAS-INIZCTEOSA-N 365.539 3.810 0 40 FHAB COc1ccc([C@H]2C[C@H](c3ccc(C)cc3)Nc3ncnn32)cc1OC 2914187 FCVSYOCNNLEPOC-IAGOWNOFSA-N 350.422 3.750 0 40 FHAB CCc1ccc(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)cc1 109494776 FASBOOFUSBROMV-UHFFFAOYSA-N 352.843 3.526 0 40 FHAB CN(Cc1c(F)cccc1Cl)C(=O)c1ccc2c(c1)NC(=O)CS2 29369180 BPAKKWWVRLRWHN-UHFFFAOYSA-N 364.829 3.796 0 40 FHAB COC(=O)c1ccc(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1 47797374 DDFWMENJZYRMHD-UHFFFAOYSA-N 373.399 3.846 0 40 FHAB C[C@H](NC(=O)c1ccc(Cl)cc1)[C@@H](c1ccccc1)N1CCOCC1 25329487 OBNKGUWRXYIFFA-KXBFYZLASA-N 358.869 3.532 0 40 FHAB CCN(C(=O)CNc1ccc(OC)c(OC(F)F)c1)c1ccccc1 56163970 YJVBEXPVYMCYLJ-UHFFFAOYSA-N 350.365 3.762 0 40 FHAB COc1ccc2nc(-c3ccccc3)cc(SC[C@@H](N)CC(=O)O)c2c1 57312189 UKICYPMKBAALOE-AWEZNQCLSA-N 368.458 3.805 0 40 FHAB Cc1ccn2cc(C(=O)Nc3nc(CN4CCC[C@@H](C)C4)cs3)nc2c1 12532372 FTIKOMOZTIEZID-CQSZACIVSA-N 369.494 3.583 0 40 FHAB C[C@@H]1CCc2c(sc(NC(=O)c3c(F)cccc3F)c2C(N)=O)C1 3209233 YUQFJCWZUULWIV-MRVPVSSYSA-N 350.390 3.502 0 40 FHAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 10393870 VAQJCFHLTWJOSV-UHFFFAOYSA-N 366.442 3.562 0 40 FHAB Cc1cc(C)n(CCCNC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)n1 58166815 VVQJCIIZJLKZPQ-KRWDZBQOSA-N 354.498 3.829 0 40 FHAB CCc1ccccc1NC(=O)CNC(=O)Nc1nc2ccccc2s1 10207893 GMBAZLOJSPOWBR-UHFFFAOYSA-N 354.435 3.619 0 40 FHAB COc1ccc(C(=O)N[C@H](CCSC)c2nc3ccccc3[nH]2)cc1 2140474 CHNMVDSSSFRLSA-QGZVFWFLSA-N 355.463 3.796 0 40 FHAB biogenic Cc1ccccc1C(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1 3215328 YOFURCDZIRANPY-UHFFFAOYSA-N 351.446 3.633 0 40 FHAB COc1ccccc1[C@@H](C)Nc1cc(C)nc2nc(C(F)(F)F)nn12 28069057 ODYAONPXAKDHAY-SNVBAGLBSA-N 351.332 3.633 0 40 FHAB COc1ccc(-c2nc3ccc(Br)cc3c(=O)o2)cc1OC 2265520 MHVPJPYESPTVKD-UHFFFAOYSA-N 362.179 3.635 0 40 FHAB Fc1ccccc1-c1nn2c([C@@H]3COc4ccccc4O3)nnc2s1 2205843 HEHZZPSUHDWOEU-AWEZNQCLSA-N 354.366 3.504 0 40 FHAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccc(C)c(C)c1 2394801 YWUSXBRQEFSUPS-UHFFFAOYSA-N 365.437 3.816 0 40 FHAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(F)cc3)o2)cc1 2413783 FIIZLNUKNGROBZ-UHFFFAOYSA-N 373.409 3.539 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)N2CCSCC2)c1 48374821 OZVXNKDJTSPEJV-LJQANCHMSA-N 354.475 3.618 0 40 FHAB O=C(CSc1cnc2ccccc2n1)Nc1ccc2c(c1)OCCCO2 12915611 XWIRNESOYIBNLW-UHFFFAOYSA-N 367.430 3.522 0 40 FHAB CC(=O)c1csc(NC(=O)c2cccc(OCc3cscn3)c2)n1 12920103 OMJBZAHNHAWRRX-UHFFFAOYSA-N 359.432 3.634 0 40 FHAB O=C(NCc1ccc(F)cc1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 8277509 AIIFPGHMPPIXNJ-QGZVFWFLSA-N 362.404 3.648 0 40 FHAB O=C(O)C1CCN(C(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)CC1 13167421 RXEWAIKWQQMDBH-DAFODLJHSA-N 361.747 3.695 0 40 FHAB CCOc1ccc([C@H]2C[C@H](c3cccc(OC)c3)Nc3ncnn32)cc1 13132073 IBYVMGIKGXBCNA-RTBURBONSA-N 350.422 3.832 0 40 FHAB COCc1nc2ccccc2n1C[C@H](O)COc1ccc(Cl)c(C)c1 16903122 IVKVZUDACVEBGW-AWEZNQCLSA-N 360.841 3.584 0 40 FHAB COc1ccc(NC(C)=O)c(NCc2cc(=O)oc3c(C)c(C)ccc23)c1 63469023 HECRPZZUMJNVOX-UHFFFAOYSA-N 366.417 3.989 0 40 FHAB COC(=O)[C@@H]1CCCN1C(=O)Nc1cc2oc3ccccc3c2cc1OC 4043168 AZFGHQDASOIIGK-HNNXBMFYSA-N 368.389 3.764 0 40 FHAB biogenic O=c1c(-c2ccccc2)nnc2sc(Cc3ccc4c(c3)CCCC4)nn12 8393717 IFKSWBGJWBSFIV-UHFFFAOYSA-N 374.469 3.683 0 40 FHAB Cc1cc(NC(=O)CNc2ccccc2CN(C)C2CCCCC2)on1 24239371 CSMVQOBZXGRWQQ-UHFFFAOYSA-N 356.470 3.798 0 40 FHAB Clc1cc2c(c(CSc3nnc4n3CCCCC4)c1)OCOC2 6097798 ZZKOJDIJVGBROO-UHFFFAOYSA-N 351.859 3.817 0 40 FHAB Cc1ccccc1OCc1nn2c(COc3ccc(F)cc3)nnc2s1 8393417 JIOUPZIDVBSPDS-UHFFFAOYSA-N 370.409 3.791 0 40 FHAB Cc1ccc(SCC(=O)N2CCC(c3nnc4ccccn34)CC2)cc1 39983238 GNNILDCWMBONAL-UHFFFAOYSA-N 366.490 3.536 0 40 FHAB O=C(CCCc1nc2ccccc2s1)NCc1ccc2c(c1)OCCO2 14093694 SGHWUSLHYBHPOK-UHFFFAOYSA-N 368.458 3.707 0 40 FHAB CCN(CC)CCCNc1ncnc2c1c(C)c(C)n2-c1cccnc1 5350619 FZMYYIOKRSUBSJ-UHFFFAOYSA-N 352.486 3.576 0 40 FHAB Cc1csc(N(C(=O)c2n[nH]c(=O)c3ccccc23)c2ccccc2)n1 14171464 LQRFLAMJFMNZAF-UHFFFAOYSA-N 362.414 3.667 0 40 FHAB CCOc1ccc(C(=O)Nc2ccc(I)cc2)cc1 5465475 SFPRPRRNECCTQC-UHFFFAOYSA-N 367.186 3.942 0 40 FHAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(F)cc1 8516343 COKLYXYXROESPW-UHFFFAOYSA-N 360.388 3.821 0 40 FHAB CC(=O)Nc1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)s1 14529774 UOZKCXZYGHOONK-SFHVURJKSA-N 374.462 3.605 0 40 FHAB Cc1cc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)no1 6650205 UWYUZRRCPDKICH-UHFFFAOYSA-N 366.398 3.969 0 40 FHAB C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc12)c1nnc(-c2cccs2)o1 6649844 WGOMAQMVYIWLTJ-SNVBAGLBSA-N 367.386 3.558 0 40 FHAB O=C(O)c1cc(-n2c(S)nnc2Cc2cccs2)ccc1Cl 6659222 UEZCGZKHTWXLBY-UHFFFAOYSA-N 351.840 3.560 0 40 FHAB O=C(Cc1csc(-c2ccccn2)n1)Nc1ccc2c(c1)OCCCO2 14635277 AVXKLUPQPYJBLL-UHFFFAOYSA-N 367.430 3.548 0 40 FHAB O=C(Nc1nnc(C2CCCCC2)s1)[C@H]1CC(=O)N(c2ccccc2)C1 4731690 OQXPNGAIUAZNSS-AWEZNQCLSA-N 370.478 3.577 0 40 FHAB CCOC(=O)Nc1cccc(OCC(=O)Nc2ccc3c(c2)CCC3)c1 7007244 IKJXQNQDNYEHJY-UHFFFAOYSA-N 354.406 3.761 0 40 FHAB Cc1cccc(OC(=O)C2CCC(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)CC2)c1 18243874 PVDKDZDRYPQGKP-VHZYLWGESA-N 369.461 3.634 0 40 FHAB COc1cccc(OC)c1OCC(=O)N[C@H](C)c1cc2ccccc2o1 22314749 LVVKHDIWGYBCJY-CYBMUJFWSA-N 355.390 3.706 0 40 FHAB Cc1cc2oc(C(=O)Nc3ccc4nsnc4c3)cc(=O)c2cc1C 15841380 AAPDWYYVXDETKO-UHFFFAOYSA-N 351.387 3.667 0 40 FHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)COc1ccc(Cl)cc1 7830975 RPVAEABCMCTBSL-UHFFFAOYSA-N 355.825 3.563 0 40 FHAB O=C(CSC1=NC2(CCCC2)N=C1c1ccccc1)NC1CCCC1 71769080 KPBBLJBCHCWCNQ-UHFFFAOYSA-N 355.507 3.950 0 40 FHAB COc1cccc(C2=NN(C(=O)CN3CCCC3)[C@@H](c3cccs3)C2)c1 97105871 BOKFHMZKQCETNJ-GOSISDBHSA-N 369.490 3.530 0 40 FHAB CCC[C@](C)(O)CNC(=O)/C=C/c1cccc(OCc2ccccc2)c1 76089229 XCELIJGDMRPKOE-GNNUASRNSA-N 353.462 3.946 0 40 FHAB Cc1ccc(NC(=O)c2ccn(Cn3nc(C)c(Cl)c3C)n2)c(C)c1 28237603 DFFKEQKSYSBBDO-UHFFFAOYSA-N 357.845 3.725 0 40 FHAB COCc1nc(C)c(C(=O)Nc2cc(C)nn2-c2ccc(C)cc2)s1 95976077 VTYVQXHXZTWSNW-UHFFFAOYSA-N 356.451 3.653 0 40 FHAB CCn1ccnc1/C=C/C(=O)O[C@H](C)C(=O)Nc1cccc2ccccc12 95942941 LCBKCBZILAWSBN-AYJWMTRPSA-N 363.417 3.640 0 40 FHAB COC(=O)N(C)CC(=O)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1 95949131 PUNFRIXSMXFSBF-LJQANCHMSA-N 372.490 3.531 0 40 FHAB C[C@@H]1CCC2=NN(C(=O)CCCc3ccccc3)[C@](O)(C(F)(F)F)[C@H]2C1 409056812 OCBAPACYDQHWTD-QIIPPGSGSA-N 368.399 3.895 0 40 FHAB Cc1cc(C)nc(SCc2ccc(C(=O)NCCc3ccccc3)o2)n1 79487615 GLHFUNPRTJTZNR-UHFFFAOYSA-N 367.474 3.951 0 40 FHAB CCC[C@H](C)NC(=O)c1cc2c(N3CCCC3)nc(SC)nc2s1 408617119 BSZVWWSEOJAJLG-NSHDSACASA-N 364.540 3.932 0 40 FHAB CCOc1cc(CCC(=O)N[C@H]2[C@H](c3ccccc3)[C@H]3CCC[C@H]32)on1 409412776 BSFMKTVEJCXMPP-XWDORNJCSA-N 354.450 3.704 0 40 FHAB COc1ccccc1-c1nccnc1[C@@H]1CCCN(C(=O)c2ccncc2)C1 72358723 XWHRPHBYIQSWOC-QGZVFWFLSA-N 374.444 3.567 0 40 FHAB Cc1ccc(NC(=O)CSc2nccn(-c3ccccc3)c2=O)cc1C 6915186 BPVVTIIRSGKDGH-UHFFFAOYSA-N 365.458 3.580 0 40 FHAB C[C@@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1nc2ccccc2s1 36580060 GHRVXXGEDXTOKW-LLVKDONJSA-N 364.430 3.535 0 40 FHAB COc1ccc(CN2C[C@@H](c3ccn[nH]3)[C@H](c3ccccc3)C2)cc1OC 72395175 CYBABHHUJLIMRY-RBUKOAKNSA-N 363.461 3.810 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 219511360 XCAJZQLEOIMZCK-DLBZAZTESA-N 357.450 3.663 0 40 FHAB O[C@@H](c1nc2cc(Cl)ccc2[nH]1)[C@@H](O)c1nc2ccc(Cl)cc2[nH]1 8628095 BHSYAWYITFSQIG-ZIAGYGMSSA-N 363.204 3.513 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 218974602 INBBHJAEBIQVOW-CYBMUJFWSA-N 371.824 3.782 0 40 FHAB Cc1cc(Nc2cccc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)[nH]n1 72382279 VQPKHUFVYCNCHV-CQSZACIVSA-N 357.458 3.971 0 40 FHAB CCCOc1ccc(NC(=O)c2cc3c(cc2OC)OCCCO3)cc1 46077926 LENGUUFZGISSOY-UHFFFAOYSA-N 357.406 3.898 0 40 FHAB Cc1ccccc1C1CC(N(C(=O)c2ccc(C(=O)O)cn2)C2CC2)C1 566951429 ILBWQPWGTNQCIW-UHFFFAOYSA-N 350.418 3.639 0 40 FHAB Cc1ccc(NC(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)cc1C 224144989 KEWKWJXYGPLYPU-UHFFFAOYSA-N 368.485 3.794 0 40 FHAB COc1ccc2cc(S(=O)(=O)N(C)Cc3ccccc3OC)ccc2c1 224883364 VPUBFLBANOGCML-UHFFFAOYSA-N 371.458 3.678 0 40 FHAB CCc1ccccc1O[C@@H](C)C(=O)NCC1(c2ccccc2)CCOCC1 223577613 AZSFQZKBIFPRCB-SFHVURJKSA-N 367.489 3.881 0 40 FHAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1nc(-c2cccs2)no1 222974053 WZMBNSFMNLPKPC-AWEZNQCLSA-N 371.462 3.889 0 40 FHAB CCOc1cccc(NC(=S)NCc2nc(-c3cccc(C)c3)no2)c1 225815069 FESGHAHFUFURAO-UHFFFAOYSA-N 368.462 3.930 0 40 FHAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc2nc(NN)sc2c1 226312758 AQOOBECOUNWXRV-UHFFFAOYSA-N 362.842 3.561 0 40 FHAB C[C@@H]1Sc2ccccc2N(C(=O)c2ncn(-c3ccccc3)n2)[C@H]1C 92869523 RMFVMJIAIGMWJV-KBPBESRZSA-N 350.447 3.797 0 40 FHAB Cc1nc(C2CC2)ccc1C(=O)N1[C@H]2CC[C@H]1CC(c1ccnn1C)C2 583065811 PYMZSZSIVLSZCL-IRXDYDNUSA-N 350.466 3.552 0 40 FHAB O=C(O)COc1ccc(/C=C2/N=C(c3ccc4ccccc4c3)OC2=O)cc1 97987546 KFPDFEPNFUYICT-YBFXNURJSA-N 373.364 3.648 0 40 FHAB O=C(Nc1cccc2c1OCC[C@@H]2O)c1ccc(O[C@@H]2CC2(F)F)cc1 529043835 QZEIOXRNZKSLKD-JKSUJKDBSA-N 361.344 3.541 0 40 FHAB Cc1ccsc1C(=O)N1CCC2(CC1)OCC[C@H]2CCOCC1CC1 253598706 RIJSQXZXUKHLIE-QGZVFWFLSA-N 363.523 3.885 0 40 FHAB Cc1c(C(=O)N2Cc3cncn3[C@H](COCC3CC3)C2)oc2ccccc12 253599130 MKJGMWRQBZVEAI-KRWDZBQOSA-N 365.433 3.561 0 40 FHAB Cc1cccc(Nc2cc([C@H]3CCCCN3Cc3cc[nH]n3)nc(C)n2)n1 257234159 GSKOGJLPSTWMHT-GOSISDBHSA-N 363.469 3.682 0 40 FHAB O=C(Cc1ccc(Cl)cc1)N1CCCSC[C@@H]1CN1CCCCC1 85473270 GHTZAUMCOLJBBC-SFHVURJKSA-N 366.958 3.703 0 40 FHAB O=C(NCC1(CF)CCOCC1)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 624157670 WUOKPQJNWZOTMV-OAHLLOKOSA-N 370.415 3.620 0 40 FHAB O=C1NCCc2cc(NCc3cnc(-c4ccccc4F)s3)ccc21 1203097669 IBSCNSCRLCTSIX-UHFFFAOYSA-N 353.422 3.847 0 40 FHAB Cc1cc(C(=O)NCc2n[nH]c(=S)n2C(C)C)cc(C)c1OC(F)F 66639909 RPEGNJSANXDTNR-UHFFFAOYSA-N 370.425 3.670 0 40 FHAB O=C(Nc1nnc(-c2ccccn2)[nH]1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 68757961 VJIXLWOWJDEFNS-QWRGUYRKSA-N 374.231 3.916 0 40 FHAB CC(C)CNC(=O)[C@H]1C[C@](F)(c2ccc(CN3CCCC3)c(F)c2)C1 149665509 DJRDLCHHQYHQQK-MOBUCQHHSA-N 350.453 3.769 0 40 FHAB O=C(Oc1ccccc1Cl)C1CCN(C(=O)c2ccc(F)cc2)CC1 12920336 JOTRYDOJBLKUJO-UHFFFAOYSA-N 361.800 3.937 0 40 FHAB COc1ccc(C(=O)O)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 13084327 HSVNSIHZFNLSAD-UHFFFAOYSA-N 370.188 3.718 0 40 FHAB COc1cccc([C@H]2C[C@H](c3ccccc3Cl)n3nc(N)nc3N2)c1 13127478 HABVYQVBAGMWHH-HZPDHXFCSA-N 355.829 3.669 0 40 FHAB COc1ccc(CN(Cc2cccc3cccnc23)C[C@H](C)O)cc1OC 13991769 KZPFQICSZONLTM-INIZCTEOSA-N 366.461 3.635 0 40 FHAB COc1cc(CN(Cc2ccccc2)C[C@H]2CCCO2)cc2c1OCO2 13993345 WYEGNDCKPGASIA-GOSISDBHSA-N 355.434 3.605 0 40 FHAB Cc1cccc(NC2=NN=C(c3ccc4c(c3)NC(=O)CO4)CS2)c1C 15404166 QRXVLJCZQAJANX-UHFFFAOYSA-N 366.446 3.553 0 40 FHAB C/C(=C\c1ccccc1)CN1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 19014404 XQCFENRZTPATLO-ITICKHJUSA-N 362.521 3.747 0 40 FHAB CC(C)CN1CCC[C@@H]([C@@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 19447168 ZRRGUCMWVIAMDN-NFBKMPQASA-N 365.521 3.850 0 40 FHAB COc1ccc(CNc2ccc([C@H]3CCc4nncn4C3)cc2)c(OC)c1 19699134 WKYRFAPCTILUBF-KRWDZBQOSA-N 364.449 3.637 0 40 FHAB CC1(C)[C@@H]2C[C@@H]1C[C@@H]1OB(B3O[C@@H]4C[C@H]5C[C@@H](C5(C)C)[C@]4(C)O3)O[C@]12C 256007032 VNEZFUGEQURPEN-DLPGQATRSA-N 358.096 3.521 0 40 FHAB CC(C)Oc1ccc(C(=O)NCC2CCN(Cc3ccco3)CC2)cc1 23128001 YRGAWFIGNVIXNR-UHFFFAOYSA-N 356.466 3.709 0 40 FHAB O[C@@H](c1nc2cc(Cl)ccc2[nH]1)[C@H](O)c1nc2ccc(Cl)cc2[nH]1 13469901 BHSYAWYITFSQIG-OKILXGFUSA-N 363.204 3.513 0 40 FHAB FC(F)(F)c1ccc(N2CCC(Oc3ncc(Cl)cn3)CC2)nc1 1888844420 WMQYZKSZBUURJW-UHFFFAOYSA-N 358.751 3.592 0 40 FHAB Cc1cnc(N(C)[C@@H]2CCCN(C(=O)Nc3ccc(C)c(C)c3)C2)nc1 1889179568 IYCIDQFBHXMEPJ-GOSISDBHSA-N 353.470 3.535 0 40 FHAB CN(C)C(=O)c1sc2nccnc2c1C1CCN(C2CCCCC2)CC1 2037845436 DKWOIIMAYGTSOH-UHFFFAOYSA-N 372.538 3.905 0 40 FHAB O=C(OC1CCCC1)N1CCC([C@@H]2CCCCN2C(=O)C2CCC2)CC1 2056226105 KNDGPHRGZRPVGL-IBGZPJMESA-N 362.514 3.959 0 40 FHAB COc1ccccc1N1C[C@@](O)(c2ccc(C)cc2)[N+]2=C1CCCCC2 2974489 NHCIYALWHCUOFT-JOCHJYFZSA-N 351.470 3.654 0 40 FHAB Cc1cccc(NC(=O)CN2CCC(c3nc4ccccc4[nH]3)CC2)c1C 4315062 RDQNJJAXIKZTFY-UHFFFAOYSA-N 362.477 3.998 0 40 FHAB CCn1c(C)c(C(C)=O)c2cc(OC[C@@H](O)CN3CCCCCC3)ccc21 12421986 JPPRKUZYJWLXOA-SFHVURJKSA-N 372.509 3.788 0 40 FHAB CC(C)Sc1ccc(CC(=O)N2CCC[C@@H](Oc3ccncn3)C2)cc1 575610896 ZPZNUOUKOLJAAU-QGZVFWFLSA-N 371.506 3.590 0 40 FHAB O=S(=O)(Cc1noc2ccccc12)NCc1ccc(-c2ccsc2)o1 575611574 WWVSNGYGOIEQMS-UHFFFAOYSA-N 374.443 3.769 0 40 FHAB COc1ccccc1-c1nc(CS(=O)(=O)CCc2ccccc2)cs1 48700550 JUVCWKBFFHBSMT-UHFFFAOYSA-N 373.499 3.976 0 40 FHAB CCCOc1cccc(NC(=O)NCCc2cc(F)cc3c2OCOC3)c1 40120279 MPTLTXKZTDPVFW-UHFFFAOYSA-N 374.412 3.845 0 40 FHAB O=C1C[C@H](c2ccccc2)Cc2c1cnc1[nH]n(-c3ccccc3)c(=O)c21 100130350 FBLFVABZKQPNEV-OAHLLOKOSA-N 355.397 3.627 0 40 FHAB CCc1ccccc1-n1ncc2c1N=C(O)C[C@@]21C(=O)N(C)c2ccccc21 32102982 PSMGUOLVVNXUHA-QFIPXVFZSA-N 372.428 3.689 0 40 FHAB Cc1cccc(C(=O)c2ccc(CN3CCC4(CC3)OCCO4)cc2)c1 2514715 NAQAFDYCTNVHCR-UHFFFAOYSA-N 351.446 3.565 0 40 FHAB Cc1ccc(NC(=O)c2c(NC(=O)CCC(=O)O)sc3c2CCC3)cc1 17076260 SGKOXYYSOMEUTR-UHFFFAOYSA-N 372.446 3.601 0 40 FHAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(NC(C)=O)cc2)c1 45940517 HLIGNERJLHWHSW-AWEZNQCLSA-N 367.449 3.560 0 40 FHAB CCOc1ccccc1Oc1c(C)oc2cc(OCC(=O)O)ccc2c1=O 11764786 RQYJVSQKXSCVDN-UHFFFAOYSA-N 370.357 3.756 0 40 FHAB biogenic Cc1nnc(S[C@H](C)C(=O)Nc2ccccc2)n1Cc1ccccc1 899813 RHYSNKSOTHMCBY-CQSZACIVSA-N 352.463 3.754 0 40 FHAB COc1ccc(-c2nnc(SCc3ccc(C(=O)O)cc3)o2)cc1OC 925472 KXXHHEVFJOFCJU-UHFFFAOYSA-N 372.402 3.744 0 40 FHAB O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCc1ccc(Cl)cc1 2663632 DYFADHYBAKXNJP-UHFFFAOYSA-N 371.651 3.693 0 40 FHAB O=C(Nc1ccc(-c2ccc(NC(=O)NC3CC3)cc2)cc1)NC1CC1 1084530 ZCYVEKLDPDKGMA-UHFFFAOYSA-N 350.422 3.921 0 40 FHAB Cc1cc(OCc2ccc3ccccc3c2)ccc1Nc1cc(=O)[nH]c(=O)[nH]1 1746433 UFKRCELYXROJKE-UHFFFAOYSA-N 373.412 3.847 0 40 FHAB CN(Cc1cccc(OC(F)(F)F)c1)Cc1nnc(C2CCC2)n1C 96008388 UMOJDDAUWQHXFJ-UHFFFAOYSA-N 354.376 3.613 0 40 FHAB Cc1ccc([C@@H](NC(=O)CCCCCNC(N)=O)c2ccccc2)cc1C 32739275 VAVRLVBTCRNZOT-NRFANRHFSA-N 367.493 3.738 0 40 FHAB O=c1[nH]c(SCc2ccc(Br)cc2)nnc1-c1ccccc1 11990970 GHTJCTONJGYWKY-UHFFFAOYSA-N 374.263 3.887 0 40 FHAB Cc1ccc(OCCOc2ccccc2/C=C2/SC(=N)NC2=O)cc1C 6859415 HJCUHBHTBGKPFP-LDADJPATSA-N 368.458 3.900 0 40 FHAB COc1ccc(NC(=O)COc2ccc(C)cc2)cc1Br 6923265 IJUWPIGEPPIAQE-UHFFFAOYSA-N 350.212 3.784 0 40 FHAB CCOc1ccccc1OCC(=O)N[C@H](c1ccccc1)c1ccncc1 6978292 NXKRTYXUZWLRTF-JOCHJYFZSA-N 362.429 3.765 0 40 FHAB CCc1ccc([C@H](C)NC(=O)CNc2ccc(F)c(NC(C)=O)c2)cc1 32909100 KLLAFJKKIBXTEA-ZDUSSCGKSA-N 357.429 3.636 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)c(C)c1 8041482 QFXQYAOBGRYQRY-INIZCTEOSA-N 354.450 3.848 0 40 FHAB CCc1nnc(COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)o1 22132479 SWQXACZTHUVVJI-UHFFFAOYSA-N 362.389 3.636 0 40 FHAB CCC(CC)C(=O)Nc1nc(-c2ccc3c(c2)NC(=O)CO3)c(C)s1 19796450 FJYKZKBZIWIITN-UHFFFAOYSA-N 359.451 3.824 0 40 FHAB O=c1/c(=C\c2ccc(Cl)cc2)sc2nnc(-c3ccc(Cl)cc3)n12 9189115 CSKIXEOPHUPCRH-NTEUORMPSA-N 374.252 3.673 0 40 FHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(Cl)c2)cc1 46804759 FEJODCXNUXYXDX-CHWSQXEVSA-N 359.857 3.976 0 40 FHAB CS[C@@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 47187609 ADVWVIYWXUUYHX-YOEHRIQHSA-N 360.548 3.715 0 40 FHAB CCN(CC)Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(OC)c2)cc1 20110525 NNJGDAUVVZMORF-MRXNPFEDSA-N 356.466 3.943 0 40 FHAB CCOC(=O)Nc1cccc(OCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 106539458 GDTNLMMTWOTBAS-LDDOYCOJSA-N 360.454 3.575 0 40 FHAB COc1ccc(CN(C)C(=O)c2cc3cnn(C(C)C)c3nc2C)cc1 27081944 NZHFKJOUOCQDJO-UHFFFAOYSA-N 352.438 3.601 0 40 FHAB O=S(=O)(c1cccc(NCc2nc(-c3ccco3)no2)c1)C1CCCC1 25735152 TWHQGCQKEQFAOL-UHFFFAOYSA-N 373.434 3.658 0 40 FHAB COc1ccc(NC(=O)NCC[C@](O)(c2ccc(C)o2)C(F)(F)F)cc1 12553260 RMVQVYSJVVRHMN-INIZCTEOSA-N 372.343 3.558 0 40 FHAB O=C1C[C@@H](c2nc(-c3ccccc3Cl)no2)CN1CCc1ccccc1 44440794 DJZIQUROAORYMR-OAHLLOKOSA-N 367.836 3.949 0 40 FHAB O=C(COC(=O)c1ccc(Br)cc1)NCCC1=CCCCC1 3271936 ZWYXLUKKQXEBNT-UHFFFAOYSA-N 366.255 3.613 0 40 FHAB CCCCCC(=O)NC(=S)Nc1ccc2nn(-c3ccccc3)nc2c1 2052146 LZDDSYDCHSBAIC-UHFFFAOYSA-N 367.478 3.814 0 40 FHAB CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 3262187 IJDANALCEXIYTM-UHFFFAOYSA-N 368.433 3.738 0 40 FHAB CC(C)c1nccn1Cc1cccc(NC(=O)NCC[C@@H]2CCCO2)c1 58087473 CDBRMMIHWQPZDS-SFHVURJKSA-N 356.470 3.745 0 40 FHAB O=C(Nc1cccc2ccccc12)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 58177787 ZEARMGGSDZYEPL-NRFANRHFSA-N 373.456 3.851 0 40 FHAB Cc1ccc(OCC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1C 27664295 BKJMWUIJQLACHP-SFHVURJKSA-N 358.507 3.697 0 40 FHAB O=C(Nc1ccc(Br)cc1F)C(=O)c1c[nH]c2ccccc12 9356033 SDNDDXBILPZDKJ-UHFFFAOYSA-N 361.170 3.891 0 40 FHAB CCOc1ccccc1NC(=O)c1nc(SC)ncc1Br 27741937 GYOOUTKGJFWAMY-UHFFFAOYSA-N 368.256 3.612 0 40 FHAB CCOc1ccc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)cc1 12618209 ZEBAMCCVKUWYQG-UHFFFAOYSA-N 373.474 3.811 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc(NC(=O)C2CC2)c1 10767454 WECBLGAMHCQGIE-CYBMUJFWSA-N 372.852 3.772 0 40 FHAB COc1cccc(OC)c1-c1nn2c(-c3ccc(C)cc3)nnc2s1 2399379 LONHGCRBGOUEDD-UHFFFAOYSA-N 352.419 3.845 0 40 FHAB CC(=O)Nc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)C2CCCCC2)cc1 2497026 OYXOIUJQGWQACG-IBGZPJMESA-N 373.497 3.695 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1C[C@@H]1CCCO1 2407124 QPBLXBQJFPSLGA-KXBFYZLASA-N 361.397 3.517 0 40 FHAB COc1ccc(-c2ccc(-c3noc(-c4ccncc4)n3)c(OC)n2)cc1 2412311 VLJYTUSYRZMTST-UHFFFAOYSA-N 360.373 3.878 0 40 FHAB Cc1noc2nc(-c3ccccc3)cc(C(=O)NCCCOCC3CC3)c12 45684235 VZXNQFVCBUOMMU-UHFFFAOYSA-N 365.433 3.745 0 40 FHAB COc1ccc(OC)c(NC(=O)[C@@H](C)Nc2ccc3oc(C)nc3c2)c1 12740533 JIMCZIBQDXAKCP-LLVKDONJSA-N 355.394 3.593 0 40 FHAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCn2cccc2[C@@H]1c1ccccc1 48340099 FUDHYEJZRKMNPU-NMXNWIABSA-N 372.424 3.862 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)CCn1nc(-c2cccs2)oc1=O 12814823 WMMGZMFOFBSEDQ-UHFFFAOYSA-N 363.826 3.555 0 40 FHAB CN1C(=O)Cc2cc(C3=NN=C(Nc4ccc(Cl)cc4)SC3)ccc21 12861832 IQEZETKTXORTQK-UHFFFAOYSA-N 370.865 3.778 0 40 FHAB Cc1sc2ncnc(OCC(=O)N3c4ccccc4C[C@@H]3C)c2c1C 3599931 PVPUWJDYHLGCAJ-NSHDSACASA-N 353.447 3.665 0 40 FHAB CCc1c(C(=O)Nc2nnc(C3CC3)s2)cnn1-c1ccc(C)cc1 12949055 YXROHXLZGPXOHG-UHFFFAOYSA-N 353.451 3.724 0 40 FHAB C[C@@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccc(F)c(F)c1 12983096 UNCFUHCJKIEKPE-LLVKDONJSA-N 359.401 3.903 0 40 FHAB COc1ccc(CNC(=O)[C@H](C)Oc2ccc(F)c3c2C(=O)C[C@H]3C)cc1 12931322 IOXJVSKLPAOOAP-OLZOCXBDSA-N 371.408 3.608 0 40 FHAB COc1c(C)cc(Br)cc1C(=O)Nc1ccc(C(=O)O)cc1 20143098 NPAKJYDDJPVUPS-UHFFFAOYSA-N 364.195 3.717 0 40 FHAB CC(C)c1cc(C(=O)O[C@@H](C)C(=O)NCc2ccco2)c2ccccc2n1 18024474 YQKVLUDRZRNYMN-AWEZNQCLSA-N 366.417 3.813 0 40 FHAB COc1ccc(OC)c(NC(=O)CCn2ccc3cc(OC)ccc32)c1 13735210 XZNOHTDXBFOFFB-UHFFFAOYSA-N 354.406 3.696 0 40 FHAB CC(=O)CCc1c(C)nc2ccc(Br)cc2c1SC(=N)N 4310920 CSKBVYJHFCCHII-UHFFFAOYSA-N 366.284 3.813 0 40 FHAB C[C@@H](c1nc(C(C)(C)C)no1)n1nnc(-c2cccc(C(F)(F)F)c2)n1 65496415 BKIUOZJHLLVVHO-VIFPVBQESA-N 366.347 3.649 0 40 FHAB O=C(Nn1cnc2ccccc21)c1cccc(NC(=O)c2cccs2)c1 14095672 SURAXMDATWHBBT-UHFFFAOYSA-N 362.414 3.734 0 40 FHAB CC(C)Cn1c(SCc2ccc(C(N)=O)cc2)nnc1-c1ccco1 14138571 IWOWONQFADKYFL-UHFFFAOYSA-N 356.451 3.585 0 40 FHAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(Br)cc1 14180185 HJZLEIVSFYGPEL-UHFFFAOYSA-N 359.223 3.828 0 40 FHAB Cc1noc(C)c1C(=O)Nc1nc2ccc(Br)cc2s1 8775769 ZXRHDYUIGSRHBA-UHFFFAOYSA-N 352.213 3.916 0 40 FHAB CC(=O)O[C@H](COc1ccc(F)cc1)Cn1cnc2cc(C)c(C)cc21 4661440 IJRUIMVVRXOVID-SFHVURJKSA-N 356.397 3.803 0 40 FHAB COc1ccc(-c2n[nH]c(SCC(=O)c3cc(F)ccc3OC)n2)cc1 6607898 RQVFZPVBEYDPPF-UHFFFAOYSA-N 373.409 3.603 0 40 FHAB COC(=O)[C@H]1CS[C@H](c2ccc(Cl)cc2)N1C(=O)c1ccccc1 5660415 GNDPXWULPZLZEP-NVXWUHKLSA-N 361.850 3.769 0 40 FHAB CCCSc1nc(NCCCN)c2sc3c(c2n1)COC(C)(C)C3 6759838 VYBHXRIRXKTVGJ-UHFFFAOYSA-N 366.556 3.805 0 40 FHAB CCOc1ccc(-c2nonc2NC(=O)Cc2ccc(Cl)cc2)cc1 6767601 KIJDOYCXBMWWNH-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB COC(=O)c1cc(CSCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)oc1C 7146888 PWMHLHYREFCKQW-MQIPJXDCSA-N 353.484 3.549 0 40 FHAB CCc1ccc(N2C[C@@H](c3nnc(NC(=O)C(C)(C)C)s3)CC2=O)cc1 9199714 CZUODWIJVHPIAJ-ZDUSSCGKSA-N 372.494 3.606 0 40 FHAB CCOc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1OCC 8107864 OLCKXAAAYSTNLF-UHFFFAOYSA-N 357.378 3.563 0 40 FHAB O=C(CCNC(=O)c1ccco1)Nc1nc2c(ccc3ccccc32)s1 8388691 KZIBGAOBKKZRIR-UHFFFAOYSA-N 365.414 3.801 0 40 FHAB CN(CC(=O)Nc1ccc(Cl)cc1)Cc1nnc(-c2ccc(F)cc2)o1 9451729 DBXKPUDUCUZLSG-UHFFFAOYSA-N 374.803 3.600 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(CN2CCSCC2)cc1 71853514 OIDQUTYCRQQDJS-SFHVURJKSA-N 368.546 3.987 0 40 FHAB CCCCCCn1c(S[C@@H]2CCCCNC2=O)nc2ccccc2c1=O 9807178 JNNRKSXIIQBWSI-QGZVFWFLSA-N 373.522 3.738 0 40 FHAB CC(C)n1cnnc1SCc1nc2scc(-c3ccco3)c2c(=O)[nH]1 9608359 IUDXRYBUBPHNAG-UHFFFAOYSA-N 373.463 3.709 0 40 FHAB COc1c(C)cccc1C(=O)NC(=S)Nc1cc(C(C)C)ccc1O 21596244 HFGVKRWNQVEYSW-UHFFFAOYSA-N 358.463 3.959 0 40 FHAB C[C@H](NC(=O)CCSc1ccccc1F)c1ccc(-n2cncn2)cc1 9691585 FQZAFLSLYUYGAA-AWEZNQCLSA-N 370.453 3.766 0 40 FHAB Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@@H](C)c1nc(C2CCCC2)no1 72303697 QVDQSJSHADYFOQ-AWEZNQCLSA-N 373.501 3.616 0 40 FHAB CCCN(CC(=O)NCc1cccs1)[C@H]1C[C@H](OCC)C12CCCC2 76019815 ZKWOVTREISEHSD-ROUUACIJSA-N 364.555 3.814 0 40 FHAB CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)c1 78652806 BSGSSFVNTPFESX-MSOLQXFVSA-N 372.490 3.537 0 40 FHAB Brc1cccc2c(NCCCOC[C@H]3CCCO3)nccc12 95443266 JFQCVGBNHWXPNB-CYBMUJFWSA-N 365.271 3.995 0 40 FHAB C[C@@H](OC(=O)[C@H]1CCCc2cn[nH]c21)C(=O)Nc1ccc2ccccc2c1 95443991 FMSCCFYDJRGXDM-ACJLOTCBSA-N 363.417 3.553 0 40 FHAB CCCCOc1ccccc1/C=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)O 62714949 FLXZBEBONZKDOJ-KQDNUWKFSA-N 367.445 3.691 0 40 FHAB O=C(NC1CCCCC1)[C@@H]1Cc2ccccc2CN1Cc1ccc(O)cc1 39350949 FBEOKYOPIMDGJS-QFIPXVFZSA-N 364.489 3.768 0 40 FHAB CC(C)(C)SCCNC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38852204 ZCXMVFWGUKHAKZ-MRXNPFEDSA-N 352.519 3.686 0 40 FHAB CCCc1ccc(C(=O)NCCCN2CCO[C@H](c3ccccc3)C2)cc1 36699967 FBZKRZYXQGRYDQ-QFIPXVFZSA-N 366.505 3.833 0 40 FHAB CCc1ccccc1OCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 39585586 LHFAZTNMDHNVNC-GOSISDBHSA-N 367.445 3.763 0 40 FHAB Cc1ccn2c(CN3CCC[C@@H](C(=O)N4CCCCCC4)C3)c(C)nc2c1 36752864 CPHVYDLJFXEDFA-LJQANCHMSA-N 368.525 3.566 0 40 FHAB CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2ccc3nc(C)sc3c2)C1 33743309 JKLKTJXLFQAXLS-CQSZACIVSA-N 374.510 3.717 0 40 FHAB O=C(/C=C/c1ccco1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 70635379 NHFWTXREDCNIAF-KXPUMZMLSA-N 351.324 3.912 0 40 FHAB COc1ccccc1NC(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 35289587 RXFLOXRTSVVDPK-MRXNPFEDSA-N 373.840 3.984 0 40 FHAB O=C(c1ccc(-c2ccsc2)cc1)N1CCC(Oc2nncs2)CC1 675008432 YHWMKXWADBAFFX-UHFFFAOYSA-N 371.487 3.950 0 40 FHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C 225012556 BMMFMBJZJZOERF-OALUTQOASA-N 354.523 3.952 0 40 FHAB Cc1sc2nc([C@H](C)N3C[C@@H]4CCC[C@H]4[C@H]3C(=N)O)nc(O)c2c1C 329939755 FVVYZAYQDVVNLG-ZKCLLBTKSA-N 360.483 3.711 0 40 FHAB CN1CC[C@]2(CCN(C(=O)c3ccc4c(ccn4Cc4ccccc4)c3)C2)C1 575460314 ZQRGKJPJOVWPIP-DEOSSOPVSA-N 373.500 3.857 0 40 FHAB Cc1ccc(/C=C/C(=O)OCc2nc(-c3ccc4c(c3)OCO4)no2)cc1 44836638 VWPRTKXLFTYFSF-RMKNXTFCSA-N 364.357 3.530 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1nnc(SC(C)C)s1 224189444 IAKWAHFGPQXXDE-ZDUSSCGKSA-N 367.496 3.843 0 40 FHAB COc1cccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]32)c1O 138377575 ZSRYUSRGJUITDT-LLSOINDXSA-N 361.488 3.803 0 40 FHAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1C 223436786 DGGPVMIQHXSFAE-INIZCTEOSA-N 374.506 3.783 0 40 FHAB CCOC(=O)c1cc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)ccc1OC 225831704 NSUSUDDBDMIZBG-VBKZILBWSA-N 363.454 3.796 0 40 FHAB Cc1ccc(CN2CCC3(CC2)C[C@H](N(C)Cc2ccccn2)CO3)s1 96048052 WPXIZUQYMGVQMH-IBGZPJMESA-N 371.550 3.707 0 40 FHAB c1ccc(CO[C@H]2CSC3(C2)CN(Cc2cccc4[nH]ccc24)C3)nc1 247846117 MSPVFVUSNLBNEB-GOSISDBHSA-N 365.502 3.840 0 40 FHAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@@H]3C[C@H]3C)cc2N1 257367395 IJGDDOAODONPPB-KLKTVBQGSA-N 356.392 3.510 0 40 FHAB Cc1cc2cc(C(=O)NCc3cnc([C@@H]4CCCCO4)nc3)ccc2o1 257340727 ZHHSLHNABIIDCF-SFHVURJKSA-N 351.406 3.703 0 40 FHAB CC[C@@H]1C[C@H](NC(=O)N2CCC3(C=Cc4ccccc4O3)CC2)CCO1 665171332 XFGIOHDTQISNEM-QZTJIDSGSA-N 356.466 3.594 0 40 FHAB COc1ccccc1CN[C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O 585288853 KFVHRCIIVHTWIM-DFQSSKMNSA-N 361.869 3.799 0 40 FHAB O=C(Cc1ccccc1)N1CCC2(CC1)C(=O)N(CC1CC1)c1ccccc12 585103127 DLHJDZXORCXNPE-UHFFFAOYSA-N 374.484 3.546 0 40 FHAB c1ccc2c(CN3CCC[C@@H](Cc4cncc(-c5ncc[nH]5)n4)C3)c[nH]c2c1 585182446 WARWJRDEWUNOFR-INIZCTEOSA-N 372.476 3.803 0 40 FHAB COc1ccc(CN2CCC[C@]3(CCCN3C(=O)c3ccoc3)CC2)cc1 585099981 BWAULUFHEDOSFA-QFIPXVFZSA-N 368.477 3.949 0 40 FHAB COc1ccccc1CN(Cc1noc(C(C)(C)C)n1)C[C@@H]1CCCO1 48235344 MLVCBDXLIHEBAZ-INIZCTEOSA-N 359.470 3.557 0 40 FHAB O=C(Nc1cccc(-n2cccn2)c1)c1ccc(NC(=O)c2ccco2)cc1 53041956 WCIJEJXHSPFMCU-UHFFFAOYSA-N 372.384 3.970 0 40 FHAB Cc1ccsc1CN1CCC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615129373 MGNXPFZYOOSPJY-FQEVSTJZSA-N 374.481 3.594 0 40 FHAB COc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1 811330 QEDWFKCRSAUUHO-RGEXLXHISA-N 362.385 3.698 0 40 FHAB CC(C)(C)OC(=O)CN1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O 5007412 LQZCKSHEWLLHKL-RIYZIHGNSA-N 358.419 3.546 0 40 FHAB COc1ccccc1C1(NC(=O)c2cc(-c3ccccn3)n[nH]2)CCCC1 12143768 SSKXNBZURJNUNF-UHFFFAOYSA-N 362.433 3.680 0 40 FHAB COc1ccc([C@@H](C)NC(=O)c2cc(-c3ccccc3OC)n[nH]2)cc1F 19458652 GJJOHFSSLMCOIF-GFCCVEGCSA-N 369.396 3.724 0 40 FHAB COc1ccc2c(C)c(C(=O)N3CCC(Oc4cccnc4)CC3)oc2c1 19565735 VJRCKSZMAFXXKF-UHFFFAOYSA-N 366.417 3.828 0 40 FHAB Cc1nc([C@@H]2CCCCN2C(=O)c2ccccc2)nc2c1CCCN2C 19706788 ZMASFUMZMWKNEA-SFHVURJKSA-N 350.466 3.535 0 40 FHAB CN(CCOc1ccc(F)cc1)C(=O)c1ccc2c(c1)ncn2C1CC1 19714343 MMRNSJQASKLXES-UHFFFAOYSA-N 353.397 3.661 0 40 FHAB CCCn1ncc(C(=O)N(C)Cc2nc3c(s2)CCCC3)c1C1CC1 157148354 KZPXWKGZZBFEFQ-UHFFFAOYSA-N 358.511 3.778 0 40 FHAB COc1ccc(/C=C2\N=C(c3ccccc3Cl)N(C)C2=O)cc1OC 5577655 FPBUIAZFQVZWBM-GDNBJRDFSA-N 356.809 3.617 0 40 FHAB CCN1CCCCN[C@H](Cc2ccccc2)COc2ccccc2C1=O 643559649 WVGGPCLAGYAYTB-LJQANCHMSA-N 352.478 3.522 0 40 FHAB CC[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2F)n1C 4947253 XEOHFNZLONQIHG-ZDUSSCGKSA-N 362.474 3.504 0 40 FHAB Cc1ccc2c(c1)[C@]1(NCCc3c1c(C)n(-c1ccccc1)c3C)C(=O)N2 23882928 IWMLGPZIDVRQJY-HSZRJFAPSA-N 357.457 3.744 0 40 FHAB CCc1nccn1CC1CN(c2nc3c(OC)ccc(Cl)c3s2)C1 2087148944 ZAXNMQACUPWEFN-UHFFFAOYSA-N 362.886 3.854 0 40 FHAB CCOc1ccc([C@]2(O)CN(c3cc(C)ccc3C)C3=[N+]2CCCC3)cc1 2966285 UPLNSNMCHRIXBD-HSZRJFAPSA-N 365.497 3.962 0 40 FHAB Cc1sc(NC(=O)CCSc2ccc(F)cc2)c(C(N)=O)c1C 4570388 JIHWCZBSZARHHG-UHFFFAOYSA-N 352.456 3.724 0 40 FHAB O=C(NCc1n[nH]c(=S)n1-c1cccc(Cl)c1)c1cccc(F)c1 5128722 KYNXCSPDBXRGNM-UHFFFAOYSA-N 362.817 3.652 0 40 FHAB CC(=O)c1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)c2ccccn12 10272921 OIEISDHCICTATM-UHFFFAOYSA-N 370.792 3.591 0 40 FHAB O=C(COc1ccccc1F)NCc1cc(-c2ccc(Cl)cc2)on1 12235677 SFLWLOOLWQCAAL-UHFFFAOYSA-N 360.772 3.829 0 40 FHAB Cc1ccc(CN2CCC(Nc3ccccc3)(C(=O)NC(C)C)CC2)cc1 2055756392 LHBFLIYZYGOTLA-UHFFFAOYSA-N 365.521 3.966 0 40 FHAB CCCC(=O)c1cc2c(cc1NC(=O)Cc1ccccc1OC)OCCO2 20096415 LVBKKVWUCNBMRW-UHFFFAOYSA-N 369.417 3.630 0 40 FHAB O=C(NCc1nc2ccccc2[nH]1)c1ccc2c(c1)ncn2-c1ccccc1 36709136 FYBZNSPJIFQBDJ-UHFFFAOYSA-N 367.412 3.832 0 40 FHAB C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)c2ccc(N(C)C)cc2)CC1 40135627 QHPUAGXPPFRWGO-QGZVFWFLSA-N 363.505 3.808 0 40 FHAB CN(CC(=O)Nc1ccccc1)C(=O)c1cc(F)c(Cl)cc1Cl 40087575 ALNVGWLZLHRRPU-UHFFFAOYSA-N 355.196 3.843 0 40 FHAB COc1ccccc1-n1c(C)nnc1SCC(=O)Nc1cccc(C)c1 908188 KGDBASIPSYDGIZ-UHFFFAOYSA-N 368.462 3.624 0 40 FHAB CCCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccccn1 1362588 RVDOREBQALCCMS-UHFFFAOYSA-N 367.478 3.789 0 40 FHAB C[C@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1nc2ccccc2[nH]1 32741009 LBVUIWHIJXIKNX-ZDUSSCGKSA-N 374.400 3.899 0 40 FHAB Cc1nn(C)c2ncc(NC(=O)/C=C/c3ccc(Br)cc3)cc12 32899795 NQVOXRMLYZFAHB-VMPITWQZSA-N 371.238 3.691 0 40 FHAB COc1ccc2oc(C(=O)O[C@@H](C)C(=O)N(C)c3ccccc3)c(C)c2c1 6456108 IQCSICLPNVORJH-AWEZNQCLSA-N 367.401 3.958 0 40 FHAB CCCn1nnnc1NCc1ccc(OCc2cccs2)c(OCC)c1 7263399 XGUKSHIWEHAGTA-UHFFFAOYSA-N 373.482 3.734 0 40 FHAB O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 7400462 ZELAMCZNNCPDCL-LLVKDONJSA-N 366.314 3.836 0 40 FHAB O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cncn1-c1ccc(F)cc1 32907729 DQNZJTSVSLSEKQ-YPMHNXCESA-N 355.335 3.862 0 40 FHAB CC(C)c1ccc(CS(=O)(=O)[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 32929680 IGMHLPMTXYZCKY-FRQCXROJSA-N 365.539 3.808 0 40 FHAB CCN(CC)CCN[C@@H](C(=O)Nc1cccc(C(C)=O)c1)c1ccccc1 22037507 YTGKMIKBHOVMKM-OAQYLSRUSA-N 367.493 3.500 0 40 FHAB CSc1ccc(C(=O)COC(=O)c2ccccc2C)cc1NC(C)=O 9752171 CLUIQCFAAVTDLI-UHFFFAOYSA-N 357.431 3.715 0 40 FHAB CC[C@H]1CCCCN1CCCNC(=O)[C@@H](C)Sc1ccc(OC)cc1 20457059 SRPCWYIPCBTALJ-SJORKVTESA-N 364.555 3.947 0 40 FHAB CC[S@@](=O)c1ccccc1C(=O)OCC(=O)c1c(C)[nH]c2ccccc12 8394101 UQWQUFVHNVAYMI-SANMLTNESA-N 369.442 3.644 0 40 FHAB O=C(O)c1ccc(OS(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 8345631 MSOAJZFNWOBTQL-UHFFFAOYSA-N 353.204 3.521 0 40 FHAB CCCN(CCc1ccccn1)C(=O)CCNc1cc(C)ccc1OC 61434258 ATWBTHYINFPAGB-UHFFFAOYSA-N 355.482 3.682 0 40 FHAB Cc1nn(Cc2cccc(C(F)(F)F)c2)c(=O)n1-c1ccc(F)cc1 1395231 WJZQEAONHHMQKW-UHFFFAOYSA-N 351.303 3.549 0 40 FHAB CC(=O)Nc1ccc(CNC(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1 25556548 AEMHKTLWMSDYEK-UHFFFAOYSA-N 367.371 3.556 0 40 FHAB CC(C)(C)S[C@H](C(=O)N1CCOCC1)c1ccc(Br)cc1 3194393 IFOWLWVKGLFLMZ-AWEZNQCLSA-N 372.328 3.881 0 40 FHAB Cc1cccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)c1 102592489 YTXHRSXBOLGMOD-CPLUKWAASA-N 373.408 3.526 0 40 FHAB Cc1nn(C)c(C)c1CCC(=O)Nc1cccnc1Oc1ccccc1 47899157 QGDOVWRSIRFODI-UHFFFAOYSA-N 350.422 3.796 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(Cl)nc(Cl)c1 3298443 ADGDQSJQZSOKOX-SNVBAGLBSA-N 365.216 3.523 0 40 FHAB COC(=O)c1cc(NS(=O)(=O)c2ccc(C)c(Cl)c2)ccc1Cl 58379769 SHEZHYFIPYJMBA-UHFFFAOYSA-N 374.245 3.889 0 40 FHAB Cc1cc(C)cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1 22514983 MUTFFFPKYVYXFA-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB O=C(Cc1ccc(Cl)cc1)NCc1ccc(C(=O)N2CCCCC2)cc1 12613835 HEDYHQQSUYUVIM-UHFFFAOYSA-N 370.880 3.825 0 40 FHAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ccc(-n2cncn2)cc1 48365868 LHMODXJXCCSQHO-QGZVFWFLSA-N 350.422 3.612 0 40 FHAB CN(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C(c1ccccc1)c1ccccc1 12819821 STGZTOKYIHBLQL-PMACEKPBSA-N 360.457 3.617 0 40 FHAB COc1ccc([C@H]2CCCN2CC(=O)NCc2ccc(Cl)cc2)cc1 12870772 BRCHGFGGXKGMBQ-LJQANCHMSA-N 358.869 3.802 0 40 FHAB O=C(COc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)OCCO2 3402852 FYNAPMLNXVLJRF-UHFFFAOYSA-N 354.189 3.782 0 40 FHAB COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1 3454158 IPADQFUMWWGLDG-LLVKDONJSA-N 352.356 3.572 0 40 FHAB COc1ccc(CNC(=O)CSc2ccc3c(c2)CCC3)cc1OC 12973822 UTXXUSSBINSDNF-UHFFFAOYSA-N 357.475 3.601 0 40 FHAB COc1ccccc1NC(=O)COC(=O)c1ccc(Cl)cc1Cl 3620217 NXLWUPHQLZSQSB-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB COc1ccc(OC)c(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1 13019282 RFSSBIHMYOVPPY-UHFFFAOYSA-N 363.417 3.631 0 40 FHAB CCc1ccccc1Nc1nc(N)nc(CN(C)Cc2ccccc2F)n1 13137702 YJYOIYSLTFFDNY-UHFFFAOYSA-N 366.444 3.531 0 40 FHAB COc1ccc(C(=O)N2CCCC2)cc1NC(=O)N1CCCCCCC1 63395570 GEROFOXHBXYQJO-UHFFFAOYSA-N 359.470 3.729 0 40 FHAB O=C([C@@H]1COc2ccccc21)N1CCC(OCc2ccc(F)cc2)CC1 92076370 OBTGDRNRXLHQMG-LJQANCHMSA-N 355.409 3.510 0 40 FHAB CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)COC2 64396019 VLMGEUMKSOBEFV-UHFFFAOYSA-N 364.323 3.946 0 40 FHAB COc1cc(CNC(=O)c2ccccc2O)ccc1OCc1ccccc1 18160936 YLTLLGSISAUJEZ-UHFFFAOYSA-N 363.413 3.910 0 40 FHAB CC(=O)Oc1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1 5015687 UOYCKEOZJKGQSY-UHFFFAOYSA-N 356.809 3.719 0 40 FHAB biogenic FC(F)n1ccnc1CSc1ncnc2c1cnn2-c1ccccc1 8778582 GAKRJOMTYTWSBI-UHFFFAOYSA-N 358.377 3.699 0 40 FHAB O=C(CSCc1cccc(Br)c1)N[C@@H]1C[C@H]2CC[C@H]1C2 409184036 HWTPMOKWVCEXCE-CORIIIEPSA-N 354.313 3.987 0 40 FHAB Cc1nn(-c2ccccc2)c(Cl)c1Cn1nnc(-c2ccc(F)cc2)n1 5298102 ZYQRJLKPSOTINH-UHFFFAOYSA-N 368.803 3.675 0 40 FHAB C[C@H](NC(=O)CSc1nc(CC2CCCC2)n[nH]1)c1ccc(F)cc1 8708961 XZKVRFBWMJOJJW-LBPRGKRZSA-N 362.474 3.646 0 40 FHAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)c2cccs2)C1=O 4477638 OHSYKLDNTXZXOI-FQEVSTJZSA-N 364.426 3.551 0 40 FHAB CCOc1ccc(CN(C)C[C@H](O)COc2ccc(C)cc2C)cc1OC 14248209 SWHAATNLDORQQV-IBGZPJMESA-N 373.493 3.582 0 40 FHAB COc1cc(/C=C2\N=C(c3ccc(OC(C)C)cc3)OC2=O)cc(OC)c1 14244966 KQUYLYLPSYHDHO-ODLFYWEKSA-N 367.401 3.836 0 40 FHAB Cc1c(CCC(=O)NCc2ccc(Cl)cc2)c(=O)oc2cc(O)ccc12 4743270 YKKRSIIYZZRHFG-UHFFFAOYSA-N 371.820 3.709 0 40 FHAB Cc1ccc([C@@]2(CCNCCCN3CCOCC3)CCOC(C)(C)C2)cc1 6764438 YSJQWRGABJJOQC-QHCPKHFHSA-N 374.569 3.524 0 40 FHAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc(OC(F)(F)F)cc1 14906139 PNYVKKGOEIPCOF-CQSZACIVSA-N 351.280 3.826 0 40 FHAB Cc1cc(C)c(C(=O)COC(=O)/C=C/c2ccc3c(c2)OCO3)cc1C 6825489 GISUOTWXHMFSBY-FNORWQNLSA-N 352.386 3.780 0 40 FHAB COc1ccc(OCc2nnc(SCc3cccc(C(=O)O)c3)o2)cc1 4943103 JYKRPNKMXCXNBD-UHFFFAOYSA-N 372.402 3.648 0 40 FHAB COc1ccc(N(C(=O)Nc2ccccc2)C2=NCCS2)cc1OC 4966265 MFPHHUHRKHKJBL-UHFFFAOYSA-N 357.435 3.845 0 40 FHAB C[C@H](Cc1nnc(NC(=O)COc2ccccc2)s1)c1ccccc1 9095454 OHHWCRWZGSBORW-CQSZACIVSA-N 353.447 3.902 0 40 FHAB Cc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(c3ncccn3)C2)cc1C 68123987 DQNBYFQZKMRKIG-UXHICEINSA-N 364.493 3.674 0 40 FHAB COc1ccccc1NC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 9366171 ZGAMBKWSBYLFRI-UHFFFAOYSA-N 353.418 3.917 0 40 FHAB NC(=O)N[C@@H](CC(=O)NC1CCCC1)c1cccc(Oc2ccccc2)c1 8082314 WSEASBGLCRUYBS-IBGZPJMESA-N 367.449 3.637 0 40 FHAB O=C(Nc1cc2c(cc1Br)OCCO2)c1cc(Cl)ccn1 8040308 POFKAHAMDJSBQC-UHFFFAOYSA-N 369.602 3.521 0 40 FHAB CN(C)C(=O)[C@H](OC(=O)c1cc(Cl)cc(Cl)c1N)c1ccccc1 8287539 BJEYWXDHDHEOFD-OAHLLOKOSA-N 367.232 3.562 0 40 FHAB CN1CCCN(C(=O)c2c(F)cccc2Cl)c2nc3ccccc3nc21 9482891 NNRFFPACWXSOHH-UHFFFAOYSA-N 370.815 3.909 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)c1cc2ccccc2c(=O)s1 19810068 UTBMYUVCBDDALC-UHFFFAOYSA-N 353.399 3.691 0 40 FHAB COc1cccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]23)c1O 170623243 ZSRYUSRGJUITDT-JCFOKISASA-N 361.488 3.803 0 40 FHAB O=C(Nc1cccc(COC[C@@H]2CCCCO2)c1)N1CCCSCC1 75766614 NMGVQZOTBACLRI-SFHVURJKSA-N 364.511 3.743 0 40 FHAB CC1CCC(NC(=O)c2c(C(F)(F)F)nn(C)c2C(F)(F)F)CC1 72306883 XFMKFQRIRGUUKM-UHFFFAOYSA-N 357.298 3.766 0 40 FHAB CC[C@H](NC(=O)N1CC[C@@H](c2ccc(OC)cc2)C1)c1c(C)nn(C)c1C 76200649 SFZLQTZOYRTWQT-MJGOQNOKSA-N 370.497 3.696 0 40 FHAB Cc1cccc(CC2CN(C(=O)NCc3cccc(-n4ccnc4)c3)C2)c1 84440307 FZEYDDZHJHMBAH-UHFFFAOYSA-N 360.461 3.565 0 40 FHAB COc1ccc(-n2ccc(CNC(=O)[C@H]3[C@H](C=C(C)C)C3(C)C)n2)cc1 84671034 FDITULYCKAKVHI-RBUKOAKNSA-N 353.466 3.736 0 40 FHAB Cc1ccc(-c2cnc(CCC(=O)N3CCC[C@@H]3[C@H]3CCCC3=O)o2)cc1 95451315 DMZBCTUTPKPWAY-QZTJIDSGSA-N 366.461 3.943 0 40 FHAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccccc1CC)cn2C 22237165 FKDMXJHISNZTPM-UHFFFAOYSA-N 350.418 3.752 0 40 FHAB Cc1n[nH]c(C)c1[C@H](C)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 95956572 PGWPGHBSEXZLGG-UGSOOPFHSA-N 374.916 3.737 0 40 FHAB CN(Cc1ccccc1Cl)C(=O)NCc1ccc(Cn2cccn2)cc1 26394278 PGFHDLCEJSMDBF-UHFFFAOYSA-N 368.868 3.926 0 40 FHAB c1ccc(-n2nnnc2SCc2ccc(OC[C@H]3CCCO3)cc2)cc1 89857543 XUSNZWFPZQZUKU-GOSISDBHSA-N 368.462 3.512 0 40 FHAB CC(C)(C)c1ccc(O)c(NC(=O)c2ccc(Cn3ccccc3=O)o2)c1 29401121 PBBIGXXKVVFCGK-UHFFFAOYSA-N 366.417 3.745 0 40 FHAB Cc1cc(C)c(C(=O)Cn2nc(N)n(Nc3ccccc3)c2=S)c(C)c1 28527651 AHOKIINBSOZUBI-UHFFFAOYSA-N 367.478 3.680 0 40 FHAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1cc(=O)[nH]c2ccccc12 29288291 YWGGRWKIZPTWMI-UHFFFAOYSA-N 362.414 3.629 0 40 FHAB CC(C)CN1CCO[C@@]2(CCCC[C@H]2NC(=O)/C=C/c2cccs2)C1 306132716 LQBGODNFXGGIAW-ZZHWGSSASA-N 362.539 3.547 0 40 FHAB O=C(CSCc1ccccc1Br)N[C@H]1C[C@H]2CC[C@H]1C2 408866482 GMMHHWMVULEVHX-HUBLWGQQSA-N 354.313 3.987 0 40 FHAB CCOc1ccc(N2C(=O)C[C@H](Nc3c(C)cc(C)cc3C)C2=O)cc1 36635689 CEAYLXHGXWMVCI-SFHVURJKSA-N 352.434 3.755 0 40 FHAB COc1ccc(OC)c(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c1 38834749 XEQPSOGRTHTYIT-QGZVFWFLSA-N 354.450 3.555 0 40 FHAB C=COCCCNc1ncc(-c2cnccn2)c(-c2ccc(C)s2)n1 72340295 NAYXFEOLOXXJOS-UHFFFAOYSA-N 353.451 3.933 0 40 FHAB CC(C)(C)c1ccccc1NC(=O)C(=O)NCCc1c[nH]c2ccccc12 42646549 GFFNZCIVUOOTIX-UHFFFAOYSA-N 363.461 3.763 0 40 FHAB Cc1cccc(CSCC(=O)N2CCN(c3cccc(C)c3)CC2)c1 40012273 ULQUDKAIEVOFKP-UHFFFAOYSA-N 354.519 3.885 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(F)cc1 224266520 CQWXUATXUMPYJE-HXUWFJFHSA-N 370.468 3.620 0 40 FHAB COC(=O)c1cccc(NC(=S)NC2(c3ccccn3)CCCC2)c1 225862816 XORZBNUNDUFEGE-UHFFFAOYSA-N 355.463 3.624 0 40 FHAB CCc1ccc(CC)c(CNS(=O)(=O)c2cc(C)c(OC)cc2C)c1 225142886 IUWJKAGVGWCNQT-UHFFFAOYSA-N 361.507 3.915 0 40 FHAB COc1ccc2nc(N3CCC[C@@H](C(=O)Nc4cccnc4)C3)sc2c1 85474014 XPLGNNSYQYUJPP-CYBMUJFWSA-N 368.462 3.555 0 40 FHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 40140923 PMMOVELMTPEXFA-UONOGXRCSA-N 356.388 3.727 0 40 FHAB O=C1CC[C@@]2(CCCN(Cc3ccncc3)CC2)N1Cc1cccc(F)c1 96047560 XAWAHFMTHJRZMD-JOCHJYFZSA-N 367.468 3.768 0 40 FHAB Cc1cc(C)cc(NC(=O)c2ccc3c(c2)N(C)[C@H]2CCCCN2C3=O)c1 97124051 IWZKLOLFAXMUJP-HXUWFJFHSA-N 363.461 3.958 0 40 FHAB Cc1noc(C)c1-c1ccc([C@@H]2CCCN(C(=O)c3cscn3)C2)nc1 257208431 BMCXAAUPJGSYCD-OAHLLOKOSA-N 368.462 3.830 0 40 FHAB CC(C)n1nccc1-c1cncc(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)n1 257330551 XOWPCYQGKIYWFI-INIZCTEOSA-N 369.513 3.748 0 40 FHAB O=c1c2cc(-c3ccccc3)nn2cnn1Cc1cccc(C(F)(F)F)c1 90610220 BKZGOPPFLCCDHV-UHFFFAOYSA-N 370.334 3.625 0 40 FHAB COc1cc(NC(=O)N[C@@H](C)CCc2ccccc2)cc(OC)c1OC 43170645 SYTNSALNOSNRIG-AWEZNQCLSA-N 358.438 3.855 0 40 FHAB Cc1n[nH]c2ncc(C(=O)Nc3ccc(NC(=O)CC(C)C)cc3)cc12 47383011 YZZWSCXYAVJBEH-UHFFFAOYSA-N 351.410 3.503 0 40 FHAB CC(C)c1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1 5278753 GMPXQDSQFDADEP-CQSZACIVSA-N 372.490 3.773 0 40 FHAB COc1ccc(F)cc1C(=O)COC(=O)c1cccc(Br)c1 5397116 SVWIMUZKTAPDGN-UHFFFAOYSA-N 367.170 3.637 0 40 FHAB O=C(COc1ccc(Cl)cc1Br)NCCc1ccccc1 5557957 QRGWBZZUQVPLMA-UHFFFAOYSA-N 368.658 3.840 0 40 FHAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(Cn2cncn2)cc1 11220332 UBCOPODNUIFFON-UHFFFAOYSA-N 354.413 3.831 0 40 FHAB Cc1cc2occ(CC(=O)N(CCN(C)C)Cc3cccnc3)c2cc1C 12223077 ZCQUDWVTTAHHDE-UHFFFAOYSA-N 365.477 3.578 0 40 FHAB CC(=O)Nc1cccc(NC(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)c1 13549199 GXQWCXQCPCSIBP-UHFFFAOYSA-N 362.311 3.792 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 14006579 UHQOSGOWCOSZKT-CQSZACIVSA-N 370.449 3.630 0 40 FHAB C[C@@H](NC(=O)CNCCOc1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 16046962 QSGHXCUORWLDNP-MRXNPFEDSA-N 372.484 3.969 0 40 FHAB C[C@@H](NC=O)c1nc2ccccc2n1CCCOc1ccccc1Cl 16902415 MWBKEEDTCRYYNX-CQSZACIVSA-N 357.841 3.966 0 40 FHAB CCOc1cccc2sc(NC(=O)c3ccc4c(c3)ncn4C)nc12 19718651 BSJHNDJKONMZHR-UHFFFAOYSA-N 352.419 3.834 0 40 FHAB CC(=O)Nc1cccc(-c2nnc(SCC(=O)c3ccc(C)cc3)o2)c1 19928659 LWYOXOUEYZJLNQ-UHFFFAOYSA-N 367.430 3.978 0 40 FHAB COc1cccc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)c1O 8168715 ODNZQTUWYRHJDY-SXGWCWSVSA-N 366.398 3.509 0 40 FHAB Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1N1C[C@H](C(=O)O)CC1=O 226318217 YAVBBCMDSALWRF-GOWZHPGHSA-N 353.462 3.900 0 40 FHAB CCCc1occc1C(=O)N1CCN(c2nc3cc(C)ccc3o2)CC1 684907993 RUCNKHPJKZRHMA-UHFFFAOYSA-N 353.422 3.644 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)CSc1ccccc1C)CC2 6086249 DBGAIPJYLZULPQ-UHFFFAOYSA-N 357.475 3.689 0 40 FHAB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1cc2ccccc2s1 238856467 JZRLQKXGHQNMCN-OAQYLSRUSA-N 367.470 3.864 0 40 FHAB O=C(c1ccc(CN2CCCCC2)o1)N1CCC(N2CCCCCC2)CC1 2037834358 NAASUVTYAGAVRO-UHFFFAOYSA-N 373.541 3.746 0 40 FHAB CCCCC[C@H](O)/C=C/[C@H]1O[C@H]2C[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 4095825 DSNBHJFQCNUKMA-SCKDECHMSA-N 352.471 3.815 0 40 FHAB endogenous,in-man Cc1ccc(-c2ccc(=O)n(Cc3nc(-c4cccs4)no3)n2)cc1C 23126881 KUWMJEROMZHTBY-UHFFFAOYSA-N 364.430 3.687 0 40 FHAB Cc1ccc2cccc(C(=O)N3CCC[C@]4(C3)OC(=O)c3ccccc34)c2n1 211112037 ATBATBSHBRQRCZ-HSZRJFAPSA-N 372.424 3.845 0 40 FHAB CNC(=O)CSc1ncc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 44086532 YDUHVQNPEYLNEL-UHFFFAOYSA-N 351.475 3.994 0 40 FHAB Cc1cc(C)nc(O[C@H]2CCCN(C(=O)Nc3cccc(Cl)c3)C2)n1 575613492 RELXKDCYWAOSMZ-INIZCTEOSA-N 360.845 3.822 0 40 FHAB C[C@H](SCc1ccccc1)C(=O)NC[C@H](c1cccc(F)c1)N(C)C 40143451 ANSLFBPJQQBUIA-HNAYVOBHSA-N 360.498 3.867 0 40 FHAB c1ccc(-c2nnc(CSc3nc(Cc4cccs4)n[nH]3)o2)cc1 11601104 VBNOBVJBHRTMPL-UHFFFAOYSA-N 355.448 3.799 0 40 FHAB COc1ccc(NC(=O)[C@@H](Cc2cc(C)cc(C)c2)[C@H](C)C(=O)O)cc1 727571 LCTABTLCJSWZRG-KXBFYZLASA-N 355.434 3.830 0 40 FHAB COc1ccc(-c2nnc3n2N=C(c2ccc(C)c(C)c2)CS3)cc1 4586107 LXWIRKVPFNBHTL-UHFFFAOYSA-N 350.447 3.929 0 40 FHAB CCSc1nc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)cc2s1 4935355 RYRKPJPYEFPGCM-LMHVJCSRSA-N 356.472 3.720 0 40 FHAB O=C(Nc1ccc2[nH]c(CN3CCCCC3)nc2c1)c1ccc(F)cc1 4937155 VHRMNUURCKCJFC-UHFFFAOYSA-N 352.413 3.940 0 40 FHAB COc1cc(CNn2c(C)n[nH]c2=S)ccc1OCc1ccc(F)cc1 7602685 SQNUKIRAPUMYFW-UHFFFAOYSA-N 374.441 3.720 0 40 FHAB Cc1ccc(S(=O)(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc1C 8059922 HMHOFUIUOCAOGP-UHFFFAOYSA-N 369.490 3.584 0 40 FHAB CCc1ccc(NC(=O)Cn2nc(COc3ccccc3)oc2=S)cc1 8086216 VSNFYWQTMSKWAP-UHFFFAOYSA-N 369.446 3.986 0 40 FHAB COc1cc(/C=C/C(=O)Nc2ccc3ncccc3c2)cc(OC)c1OC 32933557 POMKZNNHCNXEQG-RMKNXTFCSA-N 364.401 3.913 0 40 FHAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Nc1ccccc1O 22024249 NCMRNNXJCRKXBI-UHFFFAOYSA-N 352.438 3.906 0 40 FHAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)c1cccc(Cl)c1 9377746 SYVMSDCTWQSQAZ-UHFFFAOYSA-N 366.730 3.895 0 40 FHAB Cc1ccc2c(c1)C(=O)N1CCCC3=NN(Cc4ccccc4)C(=N)C3=C1N2 33537350 RKYCMIHQRCNHRI-UHFFFAOYSA-N 371.444 3.717 0 40 FHAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1C 729874 ILNMQJYBKJFSOP-CQSZACIVSA-N 356.344 3.627 0 40 FHAB CC(C)Cn1nc(C(=O)Oc2ccccc2Cl)c2ccccc2c1=O 42486201 ZWVRMTBOBREMDI-UHFFFAOYSA-N 356.809 3.925 0 40 FHAB O=C(CSC1=NN/C(=C2\C=Nc3ccccc32)O1)NC1CCCCCC1 104691305 DXLMJSUKGMWWHI-SDXDJHTJSA-N 370.478 3.534 0 40 FHAB C[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 23548375 OFWWKHGVBHHCAC-LBPRGKRZSA-N 368.424 3.789 0 40 FHAB O=C(NC1CCCCC1)c1ccc(Cn2cc(Br)cn2)cc1 27969770 HXMWUSAGZUIZCC-UHFFFAOYSA-N 362.271 3.756 0 40 FHAB O=C(OCc1cc(Cl)cc2c1OCOC2)c1cccnc1N1CCCC1 24631100 VKESDCVURMUCSP-UHFFFAOYSA-N 374.824 3.559 0 40 FHAB O=C(c1csc(-c2ccccc2)n1)N1CCN(c2ccc(F)cc2)CC1 12554982 FMZGRNLOYOPUQQ-UHFFFAOYSA-N 367.449 3.912 0 40 FHAB O=C(NCCC(=O)N1CCC[C@@H]1c1ccncc1)c1ccc2ccccc2c1 24756274 DTNLNSUPKHTYSB-OAQYLSRUSA-N 373.456 3.718 0 40 FHAB CCCc1noc(CSc2ncnc3c2cnn3-c2ccc(F)cc2)n1 25051416 KWJFZTPHOZSAAR-UHFFFAOYSA-N 370.413 3.582 0 40 FHAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)OCc1cc(F)ccc1OC 25065745 VTNXNKWNOZRDCL-LIRRHRJNSA-N 373.424 3.722 0 40 FHAB Cc1ccc([C@H](C)N(C)C(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)s1 56092594 QEZFPYVZVHOJIK-XJKSGUPXSA-N 360.454 3.768 0 40 FHAB CC[C@H](Oc1ccc(Oc2ccccn2)cc1)C(=O)Nc1cc(C)on1 12645762 SLBQTNBDSJCXJN-INIZCTEOSA-N 353.378 3.966 0 40 FHAB Cc1ccc(NC(=O)CSc2cc(N3CCC(C)CC3)ncn2)c(F)c1 57505577 HMYNCAQUMPSLJW-UHFFFAOYSA-N 374.485 3.891 0 40 FHAB CS(=O)(=O)c1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 3347510 UUUVHCFLTYELOA-UHFFFAOYSA-N 365.454 3.610 0 40 FHAB O=C(c1csc(-c2nc[nH]n2)n1)N(Cc1ccccc1)C1CCCCC1 58282868 DUMCJWHUHJAOPU-UHFFFAOYSA-N 367.478 3.903 0 40 FHAB Cc1ccc(CCC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 10672184 ZANAECIAUXCWTA-UHFFFAOYSA-N 362.495 3.633 0 40 FHAB O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1ccc(Br)s1 10677659 OYFSHIVHGGPHHD-AWEZNQCLSA-N 372.309 3.940 0 40 FHAB Cc1cccc(Cc2cnc(NC(=O)[C@H](C)NC(=O)C(C)(C)C)s2)c1 12752609 GCBNLHJQRZHTAE-ZDUSSCGKSA-N 359.495 3.532 0 40 FHAB CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 12789167 GDJSVCJRECEENU-AWEZNQCLSA-N 366.421 3.621 0 40 FHAB Cc1ccc(CNC(=O)c2cccc(C)c2NC(=O)c2ccncc2)cc1 48273939 JCFSRYNYYKQAHP-UHFFFAOYSA-N 359.429 3.881 0 40 FHAB CN(c1ccccc1C(N)=O)S(=O)(=O)c1ccc(C2CCCCC2)cc1 12910436 OUFZJMVRIAGUDW-UHFFFAOYSA-N 372.490 3.658 0 40 FHAB O=C(/C=C/c1cccc(Cl)c1Cl)Nc1ccnn1C[C@@H]1CCOC1 63827497 DPZIJLNEGMUWTK-ITKZLYELSA-N 366.248 3.878 0 40 FHAB COC[C@@H](C)NC(=O)CSc1ncnc2sc(-c3ccccc3)cc12 6170877 OWLPYRJWFAVURP-GFCCVEGCSA-N 373.503 3.602 0 40 FHAB COc1ccc(-n2[nH]c(C)c(Cc3ccc(Br)cc3)c2=O)cc1 18191183 HAOPVMHTGFCQHG-UHFFFAOYSA-N 373.250 3.836 0 40 FHAB CN(C)c1oc(/C=C/c2cccs2)nc1S(=O)(=O)c1ccccc1 6669727 OTTMNODBMLAYHW-ZHACJKMWSA-N 360.460 3.805 0 40 FHAB Cc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccco2)cc1 6661408 GRBAIUFNVZXASS-XMSQKQJNSA-N 372.380 3.669 0 40 FHAB CCOc1c(OC)cccc1C(=O)NCC1(c2ccccc2)CCOCC1 6661688 GHHPVQZGJSVIAY-UHFFFAOYSA-N 369.461 3.572 0 40 FHAB CCOc1ccc(CN(CC)C(=O)c2ccc3[nH]cnc3c2)cc1OC 8710009 AIOGYTWSERWFRS-UHFFFAOYSA-N 353.422 3.633 0 40 FHAB COc1ccc(C(=O)CSc2nnc(NC(C)(C)C)s2)cc1OC 8723820 PVULPZQCHWKBIL-UHFFFAOYSA-N 367.496 3.741 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(CC3CCCC3)n[nH]2)cc1 8749244 TYAFLXCBBVBJHP-ZDUSSCGKSA-N 372.494 3.859 0 40 FHAB O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)c1ccc[nH]1 8710481 MTHSNEMOVSPCPO-UHFFFAOYSA-N 367.478 3.561 0 40 FHAB CC[C@@H](C)c1ccccc1NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 8772618 PVBXKAOUOICXRC-CQSZACIVSA-N 372.490 3.893 0 40 FHAB O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1cccc(Cl)c1 6930308 CULCXVOOUAYBLQ-UHFFFAOYSA-N 356.809 3.936 0 40 FHAB CC[C@@H](NC(=O)N1CC[C@@H](c2ccc(OC)cc2)C1)c1c(C)nn(C)c1C 76200651 SFZLQTZOYRTWQT-IEBWSBKVSA-N 370.497 3.696 0 40 FHAB COc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1ccc(F)c(F)c1 18699924 OSCADYJZSKBVCK-GFCCVEGCSA-N 357.360 3.650 0 40 FHAB COc1cc(OC)cc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)c1 7113523 ZZEYTWUAIFYPJO-INIZCTEOSA-N 366.339 3.833 0 40 FHAB c1cncc(-c2nc(Sc3nnc4ccccn34)c3ccccc3n2)c1 7982262 FBPHRPPKTUJMPQ-UHFFFAOYSA-N 356.414 3.886 0 40 FHAB O=C(CSc1ncccn1)Nc1ccc2c(c1)OC1(CCCCC1)O2 8133199 DLDQEYBRMDXWIP-UHFFFAOYSA-N 357.435 3.639 0 40 FHAB O=C(NC1CC1)[C@@H](Sc1nc2ncc(Cl)cc2[nH]1)c1ccccc1 9319284 AXASOSUDDRKYJH-AWEZNQCLSA-N 358.854 3.723 0 40 FHAB CN(C)C(=O)C1CCN(c2nc(-c3ccsc3)nc3ccccc23)CC1 9503081 VBJTTWIOUYZWLU-UHFFFAOYSA-N 366.490 3.663 0 40 FHAB Cc1noc(C(F)(F)F)c1C(=O)N1CCN(c2cccc(Cl)c2)CC1 78964290 ZGMIVFCVBAGIBT-UHFFFAOYSA-N 373.762 3.618 0 40 FHAB Cc1ccccc1[C@@H]1CC(=O)c2cnc3[nH]n(-c4ccccc4)c(=O)c3c2C1 9698473 XWXSJFVEYFUISB-HNNXBMFYSA-N 369.424 3.935 0 40 FHAB O=C(C[C@@H]1Sc2ccccc2NC1=O)NCCc1cccc(Cl)c1 9690239 SHHUUQKALPMRNF-INIZCTEOSA-N 360.866 3.502 0 40 FHAB O=S(=O)(c1ccccc1)N1N=C(c2cccc(F)c2)C[C@@H]1c1ccco1 97105814 CJDKYIOJIJUAHH-GOSISDBHSA-N 370.405 3.959 0 40 FHAB O=C(CSc1ncccc1Cl)Nc1ccc(N2CCCCC2)nc1 84358233 DUSSFQLFWKNASI-UHFFFAOYSA-N 362.886 3.851 0 40 FHAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc3c(ccn3CC(=O)N(C)C)c2)C1(C)C 84671111 RNZCMSLAGBRGAP-FXAWDEMLSA-N 367.493 3.906 0 40 FHAB CCCn1nc(C(=O)NC2(c3ccc(Cl)cc3)CCCC2)ccc1=O 84759115 RZLDDESHADOBDK-UHFFFAOYSA-N 359.857 3.506 0 40 FHAB CNC(=O)c1cccc(CN2CCC(CCc3ccc(O)cc3)CC2)c1 95959498 RUGCWHSCFGYWSR-UHFFFAOYSA-N 352.478 3.597 0 40 FHAB CN(C)C(=S)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408979489 RBTOHJDNAHZUCT-UHFFFAOYSA-N 362.462 3.878 0 40 FHAB CCCCc1nnc(NC(=O)c2cccc(Nc3ncccn3)c2)s1 30605547 NFIBJZBTAMQSBR-UHFFFAOYSA-N 354.439 3.667 0 40 FHAB CCCCC[C@@](C)(O)/C=C\[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)O 38152832 CTXLUMAOXBULOZ-TZOXNITPSA-N 366.498 3.641 0 40 FHAB CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(Cc1cccnc1C)CC2 548349699 RFUABDABIMBUII-HXUWFJFHSA-N 369.534 3.855 0 40 FHAB CCN(C[C@H]1COc2ccccc2O1)[C@@H](C)C(=O)Nc1cc(C)ccc1C 216216464 IPNWDCNBYNXDIZ-ROUUACIJSA-N 368.477 3.792 0 40 FHAB O=C(Nc1cccc2c1CNC2=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 556633131 WXUAYZAGVPCCAG-HAQNSBGRSA-N 355.825 3.651 0 40 FHAB Cc1cc2cc(NC(=O)c3cccc(-n4nnnc4C)c3)cc(Cl)c2o1 35316922 HKUVJMKPELRFLF-UHFFFAOYSA-N 367.796 3.931 0 40 FHAB CCOc1ccc(CCCNC(=O)c2ccc(N3CCCC3=O)cc2)cc1 219203594 JFEWONBUKRIVFV-UHFFFAOYSA-N 366.461 3.575 0 40 FHAB O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1nc2ccccc2s1 70639955 RSSZOEISXJEMHO-CYBMUJFWSA-N 366.364 3.779 0 40 FHAB CC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)c1ccc(OC)c(C)c1 225611189 CQHJHFUQEJBRNH-QGZVFWFLSA-N 351.443 3.881 0 40 FHAB Cc1ccc(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)cc1 224668309 ZXGOXAKIMUHZAC-QGZVFWFLSA-N 370.468 3.619 0 40 FHAB CCO[C@@](C)(C(=O)Nc1ccc(OCCCN2CCCC2)cc1)C1CC1 225723948 LUXFOMYVNOEQHB-OAQYLSRUSA-N 360.498 3.695 0 40 FHAB CC[C@H](NC(=O)Cc1ccc(OC)c(OC)c1)c1ccc(OC)c(C)c1 224359021 JTSMJEVRVOLAAI-KRWDZBQOSA-N 357.450 3.831 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3C(F)(F)F)nn2)n1 75163929 MPBRSHHFXVOUHJ-UHFFFAOYSA-N 361.327 3.550 0 40 FHAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCc1ccc(OC)c(OC)c1 44884560 FJNQKKDNIQLITD-SFHVURJKSA-N 357.450 3.529 0 40 FHAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 225213818 FHRBGVJRVAKOLA-QGZVFWFLSA-N 370.518 3.559 0 40 FHAB COc1ccccc1CN(C)C(=O)c1cc(C2CC2)nc2onc(C)c12 40023695 GLHXSZHTCBEHTR-UHFFFAOYSA-N 351.406 3.689 0 40 FHAB CCO[C@@](C)(C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1)C1CC1 225835634 AWLDPRBPFDEVQD-RNODOKPDSA-N 363.454 3.794 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 223059276 BOOOAXHSTXVKGI-OAQYLSRUSA-N 366.505 3.708 0 40 FHAB CC[C@H](C)NC(=O)CCc1ncc(-c2cccc(Br)c2)o1 224882989 FCDJJMFNSALWCZ-NSHDSACASA-N 351.244 3.951 0 40 FHAB CC1(C)C[C@@H](NC(=O)c2coc(=O)c3ccccc23)c2cc(F)ccc2O1 1585449210 HYAUPSRLUBCYRQ-QGZVFWFLSA-N 367.376 3.964 0 40 FHAB O=C(O)CCCCCNCC(=O)OCC1c2ccccc2-c2ccccc21 90694786 BLWYGZDUPCIHRV-UHFFFAOYSA-N 367.445 3.577 0 40 FHAB Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1nsc2ccccc12 580435583 CONZMPJVPFKHTF-GOOCMWNKSA-N 366.490 3.510 0 40 FHAB Cc1cc(C)cc(O[C@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)c1 95482435 RVMKCKHOLBVRHM-CQSZACIVSA-N 371.462 3.841 0 40 FHAB CC(C)(C)OC(=O)N1CCC(CN)(c2ccc(C(F)(F)F)cc2)CC1 96029474 RXGYJCQEAHUNGD-UHFFFAOYSA-N 358.404 3.933 0 40 FHAB O=C(Nc1cccc2c1OCCC2)N1CC2(CCC2)[C@@H]1C1CCOCC1 584347359 DCPMKSSABHXDAW-IBGZPJMESA-N 356.466 3.825 0 40 FHAB Cc1cc(NC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)cnc1C 1303086991 RLSKIIXNLQJPAE-HXUWFJFHSA-N 359.429 3.808 0 40 FHAB O=C(N[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1)c1onc2c1CCCC2 1775986987 JPYNMKMHGXEPLH-LBPRGKRZSA-N 369.852 3.975 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)s2)c(O)c1 55141212 HYFRUNJCOYJGHT-LBPRGKRZSA-N 364.854 3.659 0 40 FHAB O=C(c1cc(Br)cs1)N1CCO[C@H](c2ccccc2)C1 96120162 BSQFBPKJYRPQNO-ZDUSSCGKSA-N 352.253 3.724 0 40 FHAB O=C1O[C@H]2CC(c3ccccc3)=NN(c3ccccc3)C2=C1Br 5515894 CAIVJXFUWICZBC-HNNXBMFYSA-N 369.218 3.833 0 40 FHAB COc1ccc(CN(Cc2cn(C)c3ccccc23)C[C@@H](C)O)cc1OC 12147958 OHPIADQBLHDXHG-MRXNPFEDSA-N 368.477 3.579 0 40 FHAB COc1ccc(-c2c(C)nn3c4c(nnc23)C(=O)C[C@H](c2ccco2)C4)cc1 14607727 ZYBAGZGDJZDTMI-CQSZACIVSA-N 374.400 3.614 0 40 FHAB CC(C)Oc1ccc(C(=O)NCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 15619721 MSGAWKRHDBAEHP-AWEZNQCLSA-N 374.868 3.734 0 40 FHAB CC(=O)NC(=O)c1cc2cc(Cl)ccc2o/c1=N\c1ccccc1C 17130809 APDLAWSMCBOUMW-QOCHGBHMSA-N 354.793 3.903 0 40 FHAB Cc1nc(N(C)C)ncc1C(=O)Nc1ccc(-c2cccc(F)c2)cc1 19552789 SWFSOMHMOHLAAC-UHFFFAOYSA-N 350.397 3.909 0 40 FHAB O=C1/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)Sc2ccccc21 6423296 ZCSNAOOLRLGYMP-LDADJPATSA-N 368.414 3.761 0 40 FHAB O=C(c1cc2cc(Cl)ccc2o1)N1CCC(Nc2cccnn2)CC1 109637759 VHPGKCNADUUYBW-UHFFFAOYSA-N 356.813 3.593 0 40 FHAB CC1(C)CO[C@H](c2cccc(Cl)c2)CN1Cc1ncccc1C(=O)O 656766277 UHFJHRCVLMCGJG-KRWDZBQOSA-N 360.841 3.785 0 40 FHAB Cc1cc(C(=O)OCC(=O)Nc2ccc(Br)cc2F)c(C)o1 3349637 AXSSHTUTKKDEKH-UHFFFAOYSA-N 370.174 3.594 0 40 FHAB CS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cccs3)cs2)c1 4517847 OIARTHUYZUIRGS-UHFFFAOYSA-N 364.473 3.527 0 40 FHAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CCCCC2)[C@@H]1CNC(=O)c1ccccc1 1775964305 CWVXYQGILQSQAU-KCUHQSDYSA-N 354.494 3.622 0 40 FHAB biogenic,in-vitro CCn1cc(S(=O)(=O)CC(=O)Nc2cc(C)ccc2C)c2ccccc21 2722205 ZHRVXEKEOMUAJO-UHFFFAOYSA-N 370.474 3.690 0 40 FHAB O[C@@]1(c2ccc(OC(F)F)cc2)CN(c2ccccc2)C2=[N+]1CCCCC2 4086841 QKOXMBDDYDGCGF-OAQYLSRUSA-N 373.423 3.938 0 40 FHAB CC[C@H](C)Sc1nnc(NC(=O)Cc2ccc(OC)c(OC)c2)s1 4088011 YSBIMRSLQAMWMC-JTQLQIEISA-N 367.496 3.627 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cc(C)c3[nH]c(=O)cc(C)c3c2)cc1C 10274242 QFENVRKFOZMUET-UHFFFAOYSA-N 356.447 3.563 0 40 FHAB CC(C)CCNC(=O)Cc1csc(SCC(=O)c2cccs2)n1 12444121 NCOJAGWLHXBBEG-UHFFFAOYSA-N 368.549 3.884 0 40 FHAB O=S(=O)(c1ccc(F)c(F)c1)N1CCS[C@H](c2ccccc2)CC1 208044807 WPDLTVZTVBRLJZ-KRWDZBQOSA-N 369.458 3.834 0 40 FHAB Cc1nccc(OC2CCN(C(=O)Cc3cccc4ccccc34)CC2)n1 585147009 LRVRKKJYIYYORA-UHFFFAOYSA-N 361.445 3.551 0 40 FHAB CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1 226856521 JUFBIUXXGKQPMK-UHFFFAOYSA-N 353.827 3.562 0 40 FHAB Cc1cc(C(=O)CCC(=O)NCCN2CCc3ccccc3C2)c(C)s1 31339161 YKAUKKMBSSLXCF-UHFFFAOYSA-N 370.518 3.502 0 40 FHAB CC(=O)NCc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1 7976972 JYNDOOPCZQLFBP-UHFFFAOYSA-N 360.479 3.555 0 40 FHAB COc1ccc(OCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 887403 IRKRUDGABSIZDF-UHFFFAOYSA-N 372.421 3.899 0 40 FHAB COc1ccc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)cc1OC(F)F 29604995 IBROOXWFZUAEDD-FOSCPWQOSA-N 353.365 3.631 0 40 FHAB CCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)CC)cc2c1 1366924 YMFNEFQNIDTXRV-UHFFFAOYSA-N 370.474 3.927 0 40 FHAB CCSc1nc(NN)c2c3c(sc2n1)CN(Cc1ccccc1)CC3 20814161 BMBJQYKEUYUDFF-UHFFFAOYSA-N 371.535 3.647 0 40 FHAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccccc2C(C)C)c1 1934251 JRXZCRJEBXWOFU-UHFFFAOYSA-N 357.406 3.623 0 40 FHAB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ccc(Cl)c(Cl)c1 3437028 QEHMFCZCCSNDNA-UHFFFAOYSA-N 368.172 3.518 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccccc2)n1C 3542438 RXHWHFAMQOZSHJ-CQSZACIVSA-N 364.474 3.552 0 40 FHAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCCCOC2CCCCC2)cc1 32720461 NZSXOYSLTITNGE-KXBFYZLASA-N 358.482 3.750 0 40 FHAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1cccc(-c2nc3ccccc3o2)c1 4695671 YWCATHFJTOJZPZ-QXUMQBBKSA-N 356.381 3.806 0 40 FHAB O=C(Oc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccccc1F 6283416 CDFINIKOPXZXSA-UHFFFAOYSA-N 361.328 3.846 0 40 FHAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 7708231 JUSRLIGWOJFIHW-UHFFFAOYSA-N 366.442 3.767 0 40 FHAB C[C@@H](Sc1nnc(-c2ccccc2)n1C)C(=O)NCCC1=CCCCC1 2623077 VMVFYMUVLOSRPR-OAHLLOKOSA-N 370.522 3.969 0 40 FHAB CC[C@@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C 10364826 DMEJADKCYUZIKS-CQSZACIVSA-N 360.479 3.633 0 40 FHAB COC(=O)c1cccc(C)c1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 32937594 PZTZBMBOHIBNEA-UHFFFAOYSA-N 374.245 3.889 0 40 FHAB Cc1cccc(N(C(=O)c2ccco2)S(=O)(=O)c2ccccc2)c1C 11990502 SLJCJPLCVRWDCG-UHFFFAOYSA-N 355.415 3.932 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3cnn(C)c3)nn2-c2ccccc2)cc1 52643869 IPTJVBBHVOHSDX-UHFFFAOYSA-N 373.416 3.534 0 40 FHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(C)ccc2C)cc1 8413382 YBONKXIKJBZYBN-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB COCCN(Cc1cccs1)C(=O)c1oc2ccccc2c1COC 52843507 IPXYOYZZOCACAY-UHFFFAOYSA-N 359.447 3.930 0 40 FHAB CN(CCc1ccccc1)C(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 2759519 QWEZGWFVXKTCIL-FXBPSFAMSA-N 374.440 3.752 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)Nc2cccnc2Nc2ccccc2)cc1 34526983 FKTNAFYBVVKMQZ-UHFFFAOYSA-N 367.430 3.829 0 40 FHAB CCOC(=O)c1cn(C2CC2)c2c(C)c(Br)ccc2c1=O 34559972 NSAIANPWRHILKT-UHFFFAOYSA-N 350.212 3.584 0 40 FHAB C[C@@H](OC(=O)c1ccc(-n2cccn2)cc1)C(=O)c1c[nH]c2ccccc12 21471631 GHFVKZYGRKMSKE-CQSZACIVSA-N 359.385 3.782 0 40 FHAB O=C(OCc1nc(-c2cccc(Cl)c2)no1)C1C[C@@H]2CCC[C@H](C1)C2=O 12567221 VDTKORZEMWBOBD-ONXXMXGDSA-N 374.824 3.829 0 40 FHAB CCCN1CCN(C(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)CC1 27983237 MJOWJFJQQGWIHR-UHFFFAOYSA-N 368.477 3.515 0 40 FHAB Cc1c(NC(=O)[C@H]2C[C@@H]2C)cccc1C(=O)N1CCc2sccc2C1 26405268 WFFAZZPVAXLJAW-LRDDRELGSA-N 354.475 3.850 0 40 FHAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1(C)C 58087746 XFCDZKUKLIRXHI-KGLIPLIRSA-N 357.422 3.860 0 40 FHAB CC(=O)N[C@@H](C)c1nc2ccccc2n1C[C@@H](O)c1ccccc1Cl 58227948 KIDCMXUCDQNIAO-KPZWWZAWSA-N 357.841 3.620 0 40 FHAB CCN(CC)c1ccc(NC(=O)COC(=O)Cc2ccc(Cl)cc2)cc1 3217071 WLPKCDBOIFALQV-UHFFFAOYSA-N 374.868 3.911 0 40 FHAB CC[C@H](C)NC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 2193512 ZLBNXQBYFFBSLT-ZDUSSCGKSA-N 359.433 3.684 0 40 FHAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)cc1 3274934 JQTOKJPXDHGWIM-CYBMUJFWSA-N 355.390 3.724 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2ccco2)o1 3283499 PEDCEKHUYLCPHY-ZDUSSCGKSA-N 357.435 3.559 0 40 FHAB CCOCCCn1c(N)c(C(=O)O[C@@H](C)CC)c2nc3ccccc3nc21 2244657 STQRQMINFMRNPZ-ZDUSSCGKSA-N 370.453 3.549 0 40 FHAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(OC)c(O)c2)cc1 36354345 PJICCRZQOTZMKW-OAHLLOKOSA-N 365.389 3.719 0 40 FHAB CCOc1ccc(NC(=O)CCc2nc(-c3ccccc3OC)no2)cc1 2398809 YQLBYVLEIJDMAB-UHFFFAOYSA-N 367.405 3.715 0 40 FHAB Cc1ccccc1NC(=S)NCCNC(=S)Nc1ccccc1C 3307913 GQCMKLHSILAUTC-UHFFFAOYSA-N 358.536 3.576 0 40 FHAB COc1cccc(-c2noc(CCC(=O)Nc3ccc(C)cc3C)n2)c1 2423298 DUINCEWEXXBRIR-UHFFFAOYSA-N 351.406 3.933 0 40 FHAB C[C@H](NC(=O)CNC(=O)Nc1ccccc1)c1ccc(Cl)cc1Cl 12751796 CEZRUVWBGQCBDE-NSHDSACASA-N 366.248 3.992 0 40 FHAB Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](C)c3ccccc3)CC2=O)cc1C 408706567 BOCNXIQGOAMHMQ-MJGOQNOKSA-N 350.462 3.576 0 40 FHAB O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1ccc(=O)[nH]c1 12803089 WOHBZNZJJWSNSL-UHFFFAOYSA-N 351.431 3.630 0 40 FHAB O=S(=O)(NNc1ccc(Cl)c(Cl)c1)c1ccc(F)c(F)c1 8314227 UHSRBNOBCHMRGB-UHFFFAOYSA-N 353.177 3.577 0 40 FHAB O=C(CSc1cc(Cl)ccc1Cl)NC(=O)NCc1ccco1 3417358 ODSZNTKZGQAWQT-UHFFFAOYSA-N 359.234 3.705 0 40 FHAB Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3)n2C)c1 3400430 VLUOGOPGTYERTD-AWEZNQCLSA-N 352.463 3.910 0 40 FHAB COc1ccccc1CN(C)S(=O)(=O)Cc1c(Cl)cccc1Cl 20105658 GUNXLMOYQGWKPW-UHFFFAOYSA-N 374.289 3.964 0 40 FHAB CCOc1ccc(OCCNS(=O)(=O)c2ccc3ccccc3c2)cc1 8519306 FSWXUSIEKZRXAT-UHFFFAOYSA-N 371.458 3.596 0 40 FHAB CCSc1nnc(NC(=O)CCC(=O)O[C@@H]2CC[C@@H](C)[C@H](C)C2)s1 4349889 VMNYEIIOJLFNOI-IJLUTSLNSA-N 371.528 3.737 0 40 FHAB O=C(O)COc1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1 6238092 LYQVLDZELZRNHN-UKTHLTGXSA-N 369.398 3.775 0 40 FHAB Cc1ccccc1-n1nc(SCC(=O)N2CCCC2)sc1=S 5290776 BHKGLAMDTQLKJU-UHFFFAOYSA-N 351.522 3.686 0 40 FHAB COc1cc(C)cc2oc(=O)c(CC(=O)NCCC3=CCCCC3)c(C)c12 5350203 DXWXOMAEXFZOES-UHFFFAOYSA-N 369.461 3.968 0 40 FHAB COc1ccc([C@H](CNC(=O)c2ccc3c(c2)CCC3)N2CCCC2)cc1 14121910 QSPKGBWDRMIGNQ-QFIPXVFZSA-N 364.489 3.751 0 40 FHAB Cc1noc(C)c1CC(=O)Nc1nc2ccc(Br)cc2s1 8776509 JCPFEKVULPKKGR-UHFFFAOYSA-N 366.240 3.845 0 40 FHAB COc1ccc(Cl)cc1NCCC(=O)Nc1nc2c(s1)CCC2 65858347 VIUZYBOKXHIELZ-UHFFFAOYSA-N 351.859 3.735 0 40 FHAB O=C(c1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F 4613813 JVDDPTYSLGCIIS-MRXNPFEDSA-N 368.742 3.841 0 40 FHAB CC1=CC[C@H]2C(=O)N(c3cccc(OC(=O)c4cccs4)c3)C(=O)[C@@H]2C1 18241483 DZPOPIBGIOUHAJ-HZPDHXFCSA-N 367.426 3.813 0 40 FHAB Cc1ccc(OCCCCNC(=O)[C@@H]2CCN2Cc2ccccc2)cc1 78875859 BYRQISQEMFDWFL-NRFANRHFSA-N 352.478 3.545 0 40 FHAB CC[C@@H](CNC(=O)CCC(=O)c1cccs1)N1CCc2ccccc2C1 29909160 RATHQGXBYRTYMR-SFHVURJKSA-N 370.518 3.664 0 40 FHAB Oc1ccc(-n2nnnc2SCc2csc(-c3ccsc3)n2)cc1 7682558 WENPZHYRKCOCNV-UHFFFAOYSA-N 373.488 3.845 0 40 FHAB O=S(=O)(c1ccccc1Cl)N1CCN(c2ccccc2Cl)CC1 16092618 IHSRZCOBKLKABZ-UHFFFAOYSA-N 371.289 3.504 0 40 FHAB Cn1cc(C(=O)NCc2ccc(Cl)cc2Cl)c(=O)c2ccccc21 22234116 YGLGCOROYZWLII-UHFFFAOYSA-N 361.228 3.775 0 40 FHAB CN(C(=O)c1ccc(F)cc1F)c1ccccc1C(=O)NCc1ccco1 9513803 LWZUAUKGBPXSNY-UHFFFAOYSA-N 370.355 3.764 0 40 FHAB CC(C)C(=O)NC(=S)Nc1cccc(-c2cc3ccccc3oc2=O)c1 408627717 NFFVOSCIWCIGJQ-UHFFFAOYSA-N 366.442 3.929 0 40 FHAB CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC(Sc2ccccn2)CC1 72308936 ZHUPNSNLCLAXBB-DLBZAZTESA-N 361.555 3.818 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc2ccn(C)c2c1)CC3 72324834 GDNRGDBNTDFHGE-UHFFFAOYSA-N 359.429 3.867 0 40 FHAB biogenic CCC[C@H]1CN(C(=O)c2ccc(Cl)nc2)CCN1Cc1ccccc1 95463176 FVRXMESLSUEWDB-SFHVURJKSA-N 357.885 3.862 0 40 FHAB Cc1ccc(-c2csc3nc(Cc4cncn4C)[nH]c(=O)c23)cc1C 95466452 TVBCOPWUAFWCCA-UHFFFAOYSA-N 350.447 3.593 0 40 FHAB CC(C)N(C)C(=O)c1ccc(CNC(=O)/C=C/c2ccc(Cl)nc2)cc1 89869432 MIMJEZZYQCBAIE-YRNVUSSQSA-N 371.868 3.545 0 40 FHAB O=C(Nc1cccc2cccnc12)N1CCCC[C@H]1[C@H](O)C(F)(F)F 89808032 DRJOAOYQAMNNIN-ZFWWWQNUSA-N 353.344 3.544 0 40 FHAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(Br)o1 27604452 BLAKJTVVWPWXRO-LLVKDONJSA-N 369.284 3.671 0 40 FHAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cc2c(F)cccc2s1 22900562 QYKJGOZTMXIURY-UHFFFAOYSA-N 372.421 3.668 0 40 FHAB CCOc1ccc(CCC(=O)NCCc2ccc(OC)cc2)cc1OCC 20482583 WQOLKWNTCYQKJB-UHFFFAOYSA-N 371.477 3.784 0 40 FHAB O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2CN(Cc3cccs3)C[C@@H]21 306144101 YWFDSALJONPVCV-MJGOQNOKSA-N 371.483 3.763 0 40 FHAB COc1ccc(-c2cnc3n2C[C@H]2CN(Cc4cccs4)C[C@@H]2C3)cc1 306135168 OJSVPQZBCAVOEE-DLBZAZTESA-N 365.502 3.925 0 40 FHAB COc1ccc([C@@H]2CC(c3c(OC)cc4occc4c3OC)=NN2)cc1 3851091 YEZSYOGCCKZSPT-HNNXBMFYSA-N 352.390 3.897 0 40 FHAB biogenic Fc1ccc(OCCN2CCC[C@@H](c3cccc(-n4ccnc4)n3)C2)cc1 72378804 RCMFNLKINOSOFM-QGZVFWFLSA-N 366.440 3.665 0 40 FHAB CCOc1ccc(CN(C)C(=O)c2cc3cc(F)ccc3[nH]2)cc1OC 31201953 GRRYSPXSHJMCDO-UHFFFAOYSA-N 356.397 3.987 0 40 FHAB CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1/C(=C/OC)C(=O)OC 33831595 NMLUOJBSAYAYEM-NFYKLEGGSA-N 368.477 3.817 0 40 FHAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc(OCc2cscn2)cc1 32747532 KBMJOFPFZLNELB-GOSISDBHSA-N 366.442 3.976 0 40 FHAB O=C(CSCc1ccc(F)cc1)NCc1cccc(CN2CCCC2)c1 32462835 RMNRJZBSDOHLSS-UHFFFAOYSA-N 372.509 3.971 0 40 FHAB COc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccc(C(F)(F)F)cc2)cc1Cl 72227934 REVINFKQSPRNON-LSDHHAIUSA-N 370.758 3.783 0 40 FHAB Cc1onc(C(C)C)c1C(=O)N1CCC[C@@H](c2ccnc(N(C)C)c2)C1 72369441 SXIHLFJEFXBSDQ-MRXNPFEDSA-N 356.470 3.587 0 40 FHAB O=C(NC[C@]1(O)CCCc2occc21)c1ccc(-c2ccsc2)cc1 1565522979 DJWFJGZDKKZCQJ-HXUWFJFHSA-N 353.443 3.962 0 40 FHAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCCc1ccc(OC)cc1 219557958 DYRCQKUUWHAIOD-GOSISDBHSA-N 357.450 3.610 0 40 FHAB NC(=O)/C=C/c1ccc(-c2ccc(Br)cc2Br)o1 73638352 YYTMDBKPTZSNSH-ZZXKWVIFSA-N 371.028 3.970 0 40 FHAB O=C(CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)Nc1ccccc1 210806440 HFTFBMMYYZFFDI-UVZCHINQSA-N 364.426 3.918 0 40 FHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 216205302 WRJRCZGDIAPEDI-QWFCFKBJSA-N 360.542 3.945 0 40 FHAB Cc1cc(C(F)(F)F)nn1Cc1nc(N2CCCC2)nc2c1CCCC2 72390478 HFPXDSYHXXWCPN-UHFFFAOYSA-N 365.403 3.528 0 40 FHAB Cc1cc(=NC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)[nH]n1C(C)C 521856495 NQRUFAFXAGRURR-KRWDZBQOSA-N 366.469 3.830 0 40 FHAB COc1ccc([C@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 44933203 CQWZUCZOPYPKQP-LPHOPBHVSA-N 370.468 3.924 0 40 FHAB CC[C@H](Oc1ccccc1OC)C(=O)NCCOc1cc(C)cc(C)c1 224095996 HYEVZGLJEOKQPQ-SFHVURJKSA-N 357.450 3.665 0 40 FHAB O=C(/C=C/c1ccccc1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 75165178 UPRIOVWAVYUGSR-VOTSOKGWSA-N 351.328 3.508 0 40 FHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)[nH]1 224592684 PDTKQXCIKXPEKF-MOPGFXCFSA-N 364.474 3.909 0 40 FHAB O=C(Nc1ccc2c(c1)CCC2)C1=CC2(CCNCC2)Oc2ccccc21 96268448 BCUNKDHJCBMYAI-UHFFFAOYSA-N 360.457 3.712 0 40 FHAB O=C(c1cccc(F)c1)N1CCc2ncnc(-c3ccsc3)c2CC1 96187622 DFUYMWZWAJGYRK-UHFFFAOYSA-N 353.422 3.585 0 40 FHAB COCC1=CCN(C(=O)Nc2cnc(N3CCCC[C@@H]3C)c(C)c2)CC1 332553367 QSIGQXVFMFHAMA-INIZCTEOSA-N 358.486 3.579 0 40 FHAB CC(C)c1csc([C@H]2CCCN(C(=O)N=c3ccc(C4CC4)n[nH]3)C2)n1 333146710 GHTALUMZTBPWCJ-AWEZNQCLSA-N 371.510 3.767 0 40 FHAB CCCC[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1ccccc1 95483655 MVNVHGOJCFGFJL-OTWHNJEPSA-N 368.408 3.694 0 40 FHAB Cn1cc([C@H]2CCN(C(=O)Nc3nc([C@@H]4C[C@H]5CC[C@H]4C5)cs3)C2)cn1 333038843 DVEVWDNYYJTWSS-RZLSGREXSA-N 371.510 3.802 0 40 FHAB C[C@H](C(=O)N1CCCC[C@H]1c1nnc(-c2ccccc2F)o1)n1cccc1 583622142 SAVWDUBIAMPCKI-PBHICJAKSA-N 368.412 3.992 0 40 FHAB Cc1cc(C(=O)N2CCC[C@H](c3ncc(Cc4cccc(F)c4)o3)C2)no1 257253676 JZUVWWQDHJVLFO-HNNXBMFYSA-N 369.396 3.721 0 40 FHAB Cc1cccc(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4)o3)C2)n1 257221445 DPBPFTWWEBBHOE-SFHVURJKSA-N 361.445 3.989 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2CCCN(c3nc4cc(C)ccc4o3)C2)nc1 604035193 WSNMEIACVJEESV-OAHLLOKOSA-N 350.422 3.695 0 40 FHAB COC1(c2nc(C3CC3)no2)CCN(c2ccnc3ccccc23)CC1 671464480 RSXYCCSLXMFKMD-UHFFFAOYSA-N 350.422 3.637 0 40 FHAB CC[C@H]1CN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)C[C@@H]1O 677708977 AOIYDSPFZRSQIX-AAEUAGOBSA-N 358.488 3.868 0 40 FHAB C[C@@H]1NCCO[C@H]1c1ccc(-c2cccc(OCc3cnn(C)c3)c2)cc1 629731717 KOXDESXZVXBXII-KSFYIVLOSA-N 363.461 3.716 0 40 FHAB O=C([C@H]1CCCN(c2nc3ccccc3s2)C1)N1CCC(F)(F)CC1 684521211 KIKOQYKQIYBGIL-ZDUSSCGKSA-N 365.449 3.770 0 40 FHAB COc1ccc([C@H]2CCCCCN2C(=O)CSc2cccc[n+]2[O-])cc1 45239828 LTLBZFWOVZNWML-GOSISDBHSA-N 372.490 3.565 0 40 FHAB COCCn1cc(C(=O)N2CCC[C@H]2c2cc(C)on2)c2ccccc21 57431006 OAUHGICQSAAYLW-IBGZPJMESA-N 353.422 3.561 0 40 FHAB O=S(=O)(Cc1csc(C2CCCCC2)n1)C[C@H](O)c1ccccc1 66502149 CFQQNCREVWVRQJ-KRWDZBQOSA-N 365.520 3.839 0 40 FHAB COc1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)o2)cc1 5169702 QYYBDVNBUCXYGQ-UHFFFAOYSA-N 374.194 3.760 0 40 FHAB CC[C@H]1CN(C(C)=O)CC[C@H]1CC(=O)NCc1cccc2ccccc12 5414341 DTLRFIVZLCEBHE-HKUYNNGSSA-N 352.478 3.741 0 40 FHAB biogenic,in-vitro O=C(O)c1cccc(S(=O)(=O)Oc2ccc3ccccc3c2Cl)c1 11691545 JHVBHCZBXKRIEP-UHFFFAOYSA-N 362.790 3.959 0 40 FHAB Cc1cc(-c2cncnc2-c2ccc(CNC(=O)C(C)(C)C)cc2)on1 12158868 MKSKCADBWAWWGP-UHFFFAOYSA-N 350.422 3.769 0 40 FHAB Cc1ccc(-n2c(SCC(F)(F)F)nc3ccccc3c2=O)nc1 12539557 BGLKVVWSSFWOFV-UHFFFAOYSA-N 351.353 3.744 0 40 FHAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)NC(C)C 14022911 MERNLRWRZDDGFC-LJQANCHMSA-N 354.450 3.929 0 40 FHAB CN(CCCNC(=S)Nc1ccccc1)C(=S)Nc1ccccc1 16188538 KUXYDLAXSKZEPM-UHFFFAOYSA-N 358.536 3.692 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2cccc(C)c2)cc1 26311245 AZDZLRBJHHVDPW-KRWDZBQOSA-N 360.523 3.876 0 40 FHAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1nnc(C(F)(F)F)s1 29289253 CYHGWPKCKVIJLJ-UHFFFAOYSA-N 369.368 3.647 0 40 FHAB COc1ccccc1CN(C)[C@@H]1CCC[C@H](Oc2cccc(F)c2)[C@H]1O 2037795995 UVDMJKCSEHRERU-GIVPXCGWSA-N 359.441 3.627 0 40 FHAB Cc1cc2cc(CCNC(=O)c3c(F)cccc3Cl)c(=O)[nH]c2cc1C 4032749 GNLDNCSIZVKXOZ-UHFFFAOYSA-N 372.827 3.910 0 40 FHAB CCS(=O)(=O)c1cccc(C(=O)Nc2ccc3sc(C)nc3c2)c1 5241314 VWMBYMLAYDWDPD-UHFFFAOYSA-N 360.460 3.651 0 40 FHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1csc(-c2ccco2)n1 40052382 JAWXTQJBEACODT-AWEZNQCLSA-N 357.435 3.563 0 40 FHAB CN(C)[C@H](CNC(=O)c1cnc(-c2ccccc2)s1)c1ccsc1 40108711 CDAYPLRABVMEKJ-OAHLLOKOSA-N 357.504 3.904 0 40 FHAB O=C(OCc1ccccc1)[C@H]1[C@H]2CC[C@@H](C2)N1C(=O)NC1CCCCC1 100752540 SGANIXCACFGRIN-YTQUADARSA-N 356.466 3.625 0 40 FHAB COC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1ccc(-c2ccccc2)s1 7708457 VUKUMAMKWALMAJ-QGZVFWFLSA-N 356.447 3.900 0 40 FHAB Cc1c(OC(C)C)sc2ncn([C@@H](C)C(=O)c3ccccc3)c(=O)c12 938795 IEEOHUFZBXZTIH-ZDUSSCGKSA-N 356.447 3.998 0 40 FHAB O=C(CCC(=O)OCc1ccc(Br)cc1)Nc1ccccc1 992818 PQUYJZFWXOWSEC-UHFFFAOYSA-N 362.223 3.911 0 40 FHAB CCC(=O)N(c1ccccc1)[C@@H](C)CN1CCC(O)(c2ccccc2)CC1 1640696 ZNWGHTXKMQEDBT-IBGZPJMESA-N 366.505 3.802 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(NC(=O)C(C)(C)C)s2)cc1 4077749 BSLMZOVIRCLPHO-UHFFFAOYSA-N 364.496 3.562 0 40 FHAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(F)cc3F)CC2=O)cc1 4454450 HBGIQXFCEHKOSK-ZDUSSCGKSA-N 374.387 3.745 0 40 FHAB CCn1nc(NC(=O)COc2ccc(C)cc2)c2cc3ccccc3nc21 4502261 QQLREOWWLYAGEG-UHFFFAOYSA-N 360.417 3.930 0 40 FHAB CC(C)n1ncc2cc(C(=O)Nc3cccc(NC(=O)C4CC4)c3)cnc21 32764866 CXDZIXHJMZIFNP-UHFFFAOYSA-N 363.421 3.613 0 40 FHAB Cc1ccc(CN2C(=O)C(C)(C)Oc3ccc(C(=O)NC(C)C)cc32)cc1 4965829 AZECKXIBQFKKEM-UHFFFAOYSA-N 366.461 3.837 0 40 FHAB CC1CCN(c2ccc(NC(=S)NC(=O)Cc3ccccc3)cc2)CC1 6515705 SWBGJDQHVZSSST-UHFFFAOYSA-N 367.518 3.979 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc(CCC3CCCCC3)n2N)c1 7140192 PKFBMRUIHPBZFE-UHFFFAOYSA-N 373.526 3.544 0 40 FHAB CC[C@H]1CCCCN1CCCNC(=O)c1ccc(Br)cc1 10543019 ZRQJMLKEEMXPRL-INIZCTEOSA-N 353.304 3.834 0 40 FHAB Cc1ccc(S[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 58104415 LTALLIVKUAQZTM-PKOBYXMFSA-N 354.519 3.866 0 40 FHAB CCC[C@@H](c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1 57669573 ZVFNTPHUFQNXLT-IBGZPJMESA-N 372.492 3.591 0 40 FHAB O=C(CSCc1nc2ccccc2s1)Nc1nnc(C2CC2)s1 9460444 KBVOOKTXWGHCAT-UHFFFAOYSA-N 362.505 3.897 0 40 FHAB Cc1ccsc1-c1nnc(S)n1-c1ccc(Cl)c(C(=O)O)c1 12324676 LMWJWXFLWXBOCM-UHFFFAOYSA-N 351.840 3.945 0 40 FHAB C[C@@H](c1ccccc1)n1cnnc1SCc1nc(-c2ccco2)no1 53840936 AIUHVRYFDJBVJN-LBPRGKRZSA-N 353.407 3.823 0 40 FHAB COC[C@@H](C)NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 22870332 LKABNVLAPNXVNY-GFCCVEGCSA-N 359.813 3.550 0 40 FHAB C[C@@H](c1nnc(-c2ccccc2)o1)N1CCN(Cc2ccccc2F)CC1 22777117 BSZQFSICPNISPO-INIZCTEOSA-N 366.440 3.755 0 40 FHAB O=C(CCN1CCN(Cc2ccc(Cl)s2)CC1)Nc1ccccc1 22931223 FMBRGSZRKWKWKC-UHFFFAOYSA-N 363.914 3.548 0 40 FHAB COc1ccc(Br)c(C(=O)Nc2ccc3oc(=O)ccc3c2)c1 54253566 VZCQWWNQKSPSFW-UHFFFAOYSA-N 374.190 3.816 0 40 FHAB C[C@@H](NCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1ccc(F)c(F)c1 23762644 ZWWQEZXLGBFIQA-SECBINFHSA-N 361.417 3.602 0 40 FHAB CCC(=O)c1ccccc1OS(=O)(=O)c1ccc(OC(F)(F)F)cc1 23743298 KUTOGUVTBGGKBD-UHFFFAOYSA-N 374.336 3.946 0 40 FHAB Nc1ccc(Cl)c(C(=O)Nc2cccc(I)c2)c1 20478180 CSGQWDYJRFQRPY-UHFFFAOYSA-N 372.593 3.779 0 40 FHAB COc1ccc(OCCNC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 7815276 SQHLCAYHNHVNGL-UHFFFAOYSA-N 354.233 3.740 0 40 FHAB CCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)c1oc2ccccc2c1C 57036479 WBUYZKKQLMIFAC-ZFWWWQNUSA-N 362.495 3.566 0 40 FHAB O=C(COC(=O)c1ccccc1Oc1ccccc1)NCc1ccco1 3290428 JTMCJWXNGFPQOW-UHFFFAOYSA-N 351.358 3.545 0 40 FHAB Cc1ccc(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)cc1C 7927187 TULKLHTZJHMLAY-SFHVURJKSA-N 358.507 3.985 0 40 FHAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1cccnc1 35903236 AWNQJTVGQSIHER-UHFFFAOYSA-N 366.248 3.879 0 40 FHAB CCOC(=O)c1c(NC(=O)c2cn3ccccc3n2)sc2c1CCCC2 12658961 VEWXYAWEVYTDSE-UHFFFAOYSA-N 369.446 3.704 0 40 FHAB CCOc1cccc([C@@H](C)NC(=O)C[C@H]2Sc3ccccc3NC2=O)c1 58201880 XVNMGLFZHLYHLN-FZKQIMNGSA-N 370.474 3.766 0 40 FHAB O=C(N[C@@H]1CCOc2ccccc21)[C@@H]1CCCN(Cc2cccc(F)c2)C1 58423466 LHSJRDOYLDHFDF-YLJYHZDGSA-N 368.452 3.678 0 40 FHAB CCOC(=O)c1ccc(N2C(=O)C[C@@H]([C@H](C)c3ccccc3)C2=O)cc1 2218961 NPBSKIBOOTZWLV-KDOFPFPSSA-N 351.402 3.547 0 40 FHAB Cc1nnc(NC(=O)c2cc3occc3n2Cc2ccccc2F)s1 36357706 KKRMUFKBDHSWNT-UHFFFAOYSA-N 356.382 3.834 0 40 FHAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)NCCC2=CCCCC2)c1 48279109 XYWIWQPEILVQOA-UHFFFAOYSA-N 370.497 3.788 0 40 FHAB CC[C@@H]1CCCCN1C(=O)CN1CCC[C@@H]1c1ccc(OC)cc1OC 48332854 LDQPQUBLCKHCJX-VQIMIIECSA-N 360.498 3.632 0 40 FHAB CCCn1c(=O)n(CC(=O)N[C@@H](C)c2ccc(Cl)cc2)c2ccccc21 12870229 NQZFHGAYNFGLNO-AWEZNQCLSA-N 371.868 3.744 0 40 FHAB O=C(Cn1c(-c2ccccc2)nc2ccccc2c1=O)NC1CCCCC1 12847536 NHAHWHAEWFETSJ-UHFFFAOYSA-N 361.445 3.512 0 40 FHAB COC(=O)C1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 12822245 GTKXVQBCLYWTCN-UHFFFAOYSA-N 355.459 3.539 0 40 FHAB COc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2Cl)c1 12800826 FOVRRFYUDZXDEF-INIZCTEOSA-N 351.855 3.874 0 40 FHAB C[C@@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)CCN1Cc1ccccc1 62690534 HTJBGDPYOSPTSH-SZYSYYJISA-N 352.522 3.936 0 40 FHAB O=C1CCC[C@@H]1Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F 3560959 YEYWOYBJTJTSOG-KRWDZBQOSA-N 372.396 3.878 0 40 FHAB CC[C@H](C)n1c(SCC(=O)NC2CCCC2)nc2ccccc2c1=O 3507367 UZLKATMWXBDZQE-ZDUSSCGKSA-N 359.495 3.518 0 40 FHAB O=C(NCCCN1CCc2ccccc2C1)N1CC[C@H](c2ccccc2)C1 69878270 LKQDIWQNXVMDDF-QFIPXVFZSA-N 363.505 3.634 0 40 FHAB O=C(CCC(=O)NC1CCCCC1)Nc1nnc(C2CCCCC2)s1 5149948 MODKNDKAOFABTL-UHFFFAOYSA-N 364.515 3.753 0 40 FHAB CN1C(=O)S/C(=C/c2ccccc2OCc2ccc(C(=O)O)cc2)C1=O 4598985 FGHHAGGOVYGTHS-MHWRWJLKSA-N 369.398 3.630 0 40 FHAB CC(C)N(C(C)C)S(=O)(=O)c1ccc(N(C)Cc2ccsc2)nc1 14226321 XLWMMKOOZNPQSE-UHFFFAOYSA-N 367.540 3.587 0 40 FHAB Cc1cc(C(F)(F)F)nn1Cc1nnc(S)n1-c1cccc(Cl)c1 5425709 HUUBDBHJKTXAIB-UHFFFAOYSA-N 373.791 3.781 0 40 FHAB Cc1nccn1-c1ccc(CNC(=O)COc2ccccc2Cl)cc1 20107070 BWEIYDBKVZJZMY-UHFFFAOYSA-N 355.825 3.529 0 40 FHAB Cc1ccc(NCC(=O)Nc2ccc(N3CCOCC3)cc2)c(Cl)c1 5689698 OZRAMWODRCCTHZ-UHFFFAOYSA-N 359.857 3.536 0 40 FHAB COc1ccc(N2C(=O)/C(=C/c3cccs3)NC2=S)cc1Cl 4882916 DCXQLKGEYLCUQG-WQLSENKSSA-N 350.852 3.672 0 40 FHAB CN(CCOc1ccc(F)cc1)S(=O)(=O)/C=C/c1ccc(Cl)cc1 15364574 NZYJVFUTVMOOID-JLHYYAGUSA-N 369.845 3.790 0 40 FHAB CCCCNc1nnc(SCC(=O)Nc2ccc(C)c(F)c2)s1 9140484 GUWQRQVANBDZSR-UHFFFAOYSA-N 354.476 3.928 0 40 FHAB Cc1nc(C2(NC(=O)CN(C)c3cccc(C)c3C)CCCCCC2)no1 84213392 KZLPSTPLXJDWKQ-UHFFFAOYSA-N 370.497 3.797 0 40 FHAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCCCC2)cc1 408677009 PHZVPKPWXLHTPC-UHFFFAOYSA-N 362.429 3.810 0 40 FHAB O=C(O)c1csc(S(=O)(=O)Nc2ccccc2OC2CCCC2)c1 71818232 HGEPMQHTPBVPCE-UHFFFAOYSA-N 367.448 3.569 0 40 FHAB CC(=O)Nc1ccc(C(C)=O)cc1OCC(=O)Nc1ccc(Cl)cc1 9691882 QBDSTKVMNXHOLT-UHFFFAOYSA-N 360.797 3.519 0 40 FHAB Cc1cccc(-c2nc(CC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)cs2)c1 79491456 JAXPNMAEBZEIIY-UWJYYQICSA-N 370.518 3.815 0 40 FHAB Cc1cc(NC(=O)[C@H](C)n2cc(Br)cn2)c2ccccc2n1 28224644 PNCFMJZGJUCEIJ-NSHDSACASA-N 359.227 3.702 0 40 FHAB CN(C(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(Cl)cn1 95961191 HHRCXMPHDKIVCZ-TZMCWYRMSA-N 367.877 3.781 0 40 FHAB Cc1[nH]ncc1CCCN[C@H]1CCCOc2c(Br)cccc21 95967263 CVOIYUSMIQNESP-INIZCTEOSA-N 364.287 3.917 0 40 FHAB COc1ccc(N[C@@H](C)CCCN2C(=O)c3ccccc3C2=O)cc1F 95990594 BNFWBIBNEKGFMZ-ZDUSSCGKSA-N 356.397 3.711 0 40 FHAB Cc1cc(C)cc(C(=O)N(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1 89583310 SQKTWFIFJUIELA-MRXNPFEDSA-N 363.866 3.557 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cc(Br)ccc2O)cc1C 75105023 HHKVUPODBSMYII-UHFFFAOYSA-N 356.241 3.572 0 40 FHAB Fc1ccc(CN2CC[C@@]3(C2)CN(Cc2ccccn2)c2cccnc23)cc1 306140705 VBKMQAQLEJQTML-HSZRJFAPSA-N 374.463 3.780 0 40 FHAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H]2COc3ccccc3O2)cc1 30863289 NWADOYHXWGLEBJ-XLIONFOSSA-N 355.434 3.739 0 40 FHAB COc1cc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)cc(OC)c1 32903767 PPZSFTJUSQWUGL-UHFFFAOYSA-N 356.422 3.941 0 40 FHAB Brc1ccc(OCc2nc3c4ccccc4ncn3n2)cc1 32117726 ICLKLWCIQOARHY-UHFFFAOYSA-N 355.195 3.619 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 218974803 LYTLXSFGWBAYEL-INIZCTEOSA-N 365.433 3.779 0 40 FHAB CCc1cccc(CC)c1NC(=O)c1cccc(NC(=O)/C=C\C(=O)O)c1 38784949 JPJMTMCHWKEOBA-QXMHVHEDSA-N 366.417 3.643 0 40 FHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CCN(Cc2ccccc2)CC1 216346200 JOFNYKXKXRKBTK-OAQYLSRUSA-N 366.505 3.805 0 40 FHAB COc1cccc(-c2cncc([C@@H]3CCCN(C(=O)c4cccnc4)C3)n2)c1 72359495 QMEIZROQIVOOFS-GOSISDBHSA-N 374.444 3.567 0 40 FHAB O=C(C[C@H]1CCCC[C@H]1C(=O)O)c1ccccc1I 43879336 ZPGHWWKTVPATLX-GHMZBOCLSA-N 372.202 3.755 0 40 FHAB COc1cc(CNC(=O)c2ccc(C)c(C)c2)ccc1OC[C@@H]1CCCO1 40106780 PBJWBAUFEOFEIM-IBGZPJMESA-N 369.461 3.800 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1 222890154 IUMYWYGVOOIUKT-INIZCTEOSA-N 372.896 3.826 0 40 FHAB Cc1ccnc(NC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)c1 225821530 TXTGYVXJMJPQRT-UHFFFAOYSA-N 359.842 3.580 0 40 FHAB COc1cccc(OCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 224129271 ZIPYFQXMGCRLEY-INIZCTEOSA-N 371.477 3.955 0 40 FHAB COc1ccc(S(=O)(=O)N2CCC(c3cccs3)CC2)cc1C 77103507 KUUCTZNXFYREIQ-UHFFFAOYSA-N 351.493 3.633 0 40 FHAB O=C(c1ccsc1)N1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 98211747 HEOGXJFOEMPBBK-UHFFFAOYSA-N 372.881 3.754 0 40 FHAB Cc1ccc(CC(=O)N2CC[C@@]3(C[C@@H]3C(=O)Nc3cccc(F)c3)C2)cc1 96227241 WYUKYHVMRJADSN-DENIHFKCSA-N 366.436 3.554 0 40 FHAB CN(CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)OC(C)(C)C 95629520 HDWBCKNKWCPFRG-UHFFFAOYSA-N 362.470 3.902 0 40 FHAB Cc1cccc(CN2CC[C@@]3(CCCN(Cc4ccc(C)s4)C3)C2=O)n1 96048795 XZYSRVGFOWHWTN-OAQYLSRUSA-N 369.534 3.775 0 40 FHAB CC(C)C(=O)N[C@@H]1CC2(CCN(Cc3ccco3)CC2)Oc2ccccc21 96079860 RCFUJARZFNYWCR-LJQANCHMSA-N 368.477 3.910 0 40 FHAB Cn1ccc2cc([C@@H](O)CNC(=O)CCc3cccc(Cl)c3)ccc21 252479899 BOYWRBMPBIOEHO-IBGZPJMESA-N 356.853 3.614 0 40 FHAB CC(C)c1ncc(C(=O)N(Cc2ccncc2)Cc2ccc(O)cc2)cn1 97594793 CHASDLIXVROTMA-UHFFFAOYSA-N 362.433 3.543 0 40 FHAB Cc1noc(C)c1C[C@H](C)NC(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 606305113 PFPKTIIWZHLRLZ-OJFPTFHUSA-N 350.503 3.816 0 40 FHAB Cc1cc(C(=O)N2CCCc3ccc(-c4cnn(C)c4)nc32)c(C)s1 622928672 MYQJGJBJCUUGMF-UHFFFAOYSA-N 352.463 3.753 0 40 FHAB CO[C@@H]1CCCOC12CCN(C(=O)Cc1ccc3ccccc3c1)CC2 585263215 NNMPYKUBZDLEPL-HXUWFJFHSA-N 353.462 3.569 0 40 FHAB CCS(=O)(=O)c1ccc(C(=O)N(C)c2cccc3ccccc23)cc1 58180581 OCTAHUQVHPZEKO-UHFFFAOYSA-N 353.443 3.910 0 40 FHAB C[C@H](NCc1cccc(N2CCOCC2)n1)c1ccc(-c2ccncc2)cc1 547508377 JXBKJHUPEYIDEE-SFHVURJKSA-N 374.488 3.831 0 40 FHAB COc1cccc(C(=O)O[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)c1O 39489281 LAZUZELDYXGJFD-GFCCVEGCSA-N 353.374 3.619 0 40 FHAB Cc1noc([C@H](C)N(C)c2nc(-c3ccccn3)nc3sccc23)n1 1651986760 LENARUXNPAOCAD-JTQLQIEISA-N 352.423 3.642 0 40 FHAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)N1CCCc2ccccc21 5127286 VVFRYOYTFBFMCZ-UHFFFAOYSA-N 353.462 3.725 0 40 FHAB Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)on1 12118438 SBXHAEDPLWNDJP-HOTGVXAUSA-N 352.438 3.502 0 40 FHAB Cc1nc(COc2ccccc2C(=O)N[C@H](C)c2ccc(F)c(F)c2)no1 12767002 WJVDKLMBAAMADI-LLVKDONJSA-N 373.359 3.726 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC3CCCC3)c2)cc1 15593391 DFEXIDSNOIXBJC-UHFFFAOYSA-N 372.490 3.777 0 40 FHAB O=C(c1ccccc1F)N1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 19347525 BCXTXPZFKLRUQL-CYBMUJFWSA-N 374.799 3.864 0 40 FHAB Cc1cc(C)n([C@H](C)CC(=O)N2CCCC[C@@H]2CN2CCCCCC2)n1 19572887 ZIPBHABVJLPPRW-WOJBJXKFSA-N 360.546 3.708 0 40 FHAB Cc1nc(NC[C@@H](c2ccc(F)cc2)N2CCCC2)cc(-c2cc[nH]n2)n1 19655522 ANNMCAKAPSIPEK-IBGZPJMESA-N 366.444 3.563 0 40 FHAB Fc1ccc(OCc2cc([C@H]3CCN(Cc4cccnc4)C3)n[nH]2)cc1 19704841 DPEGXQZVHQGKTC-INIZCTEOSA-N 352.413 3.512 0 40 FHAB Cc1cccc(O[C@@H]2CCN(C(=O)c3ccccc3OC(F)(F)F)C2)n1 238845855 IHROYCKNONHKQX-CYBMUJFWSA-N 366.339 3.582 0 40 FHAB CN(C)[C@@H](CNC(=O)c1ccc(Br)cc1)c1cccs1 23105567 SHNVTXXZLWZNPB-ZDUSSCGKSA-N 353.285 3.543 0 40 FHAB CCCn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(Cl)ccc21 4193395 YAPHDMXMGJZXTQ-UHFFFAOYSA-N 361.850 3.898 0 40 FHAB COc1ccccc1NC(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1 11856833 YAQKGHSOZAEBJV-UHFFFAOYSA-N 369.348 3.619 0 40 FHAB O=C(NCCCN1CCO[C@@H](c2ccccc2)C1)c1cccc(Cl)c1 17178572 HFJDSFRCAVXRSI-LJQANCHMSA-N 358.869 3.533 0 40 FHAB COc1cc(OC)cc(C(=O)/N=c2/sc3cc(C)cc(C)c3n2C)c1 100819115 QRDRMOOSVOEMCF-FMQUCBEESA-N 356.447 3.615 0 40 FHAB CCCN1CCCc2cc(CCNS(=O)(=O)Cc3ccccc3)ccc21 35588182 GUCQFAKRXBHZKC-UHFFFAOYSA-N 372.534 3.511 0 40 FHAB Cc1nc(-n2cccc2)sc1C(=O)OCc1cc(-c2ccco2)on1 38767591 GPZBMVRZLLOOHY-UHFFFAOYSA-N 355.375 3.847 0 40 FHAB O=C(O)c1ccccc1OCCCSc1nnc(Cc2ccccc2)o1 8731650 LSJQUOUOBBCUDM-UHFFFAOYSA-N 370.430 3.920 0 40 FHAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)C1(c2ccccc2)CC1 6850137 SHOFVRCYBVWJLH-UHFFFAOYSA-N 372.350 3.956 0 40 FHAB CC(C)C(=O)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1 40050748 RQHCVYIHWTTXIK-UHFFFAOYSA-N 350.462 3.748 0 40 FHAB Fc1cccc(-c2ccc(CN3CCN(c4ncccn4)CC3)s2)c1 40072329 OKKXFUUBDLUPHO-UHFFFAOYSA-N 354.454 3.666 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)OCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 40023470 JKROWLKOGOVVST-ZJNRKIDTSA-N 372.440 3.780 0 40 FHAB CCCN(CC(=O)NC(=O)NCC)[C@H](C)c1ccc(Cl)c(Cl)c1 40151438 KWAWJQZPNMVHEB-LLVKDONJSA-N 360.285 3.612 0 40 FHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCCCCCC(=O)O 40288581 OWMPDJDUBYMAOY-UHFFFAOYSA-N 350.415 3.632 0 40 FHAB Cc1cc2c(=O)n(Cc3ccccc3)c(=O)n(Cc3ccccc3)c2s1 32089673 JPTCVKXLENLTCS-UHFFFAOYSA-N 362.454 3.630 0 40 FHAB CCc1cnc(CN(C)C(=O)c2cccc(OC[C@@H]3CCCO3)c2)s1 81080764 FAWOSJCWTOOUIK-INIZCTEOSA-N 360.479 3.536 0 40 FHAB CCOP(=O)(Cc1c(Cl)c(=O)n(-c2ccccc2)n1C)OCC 2549653 LVVBSMXREMJVOE-UHFFFAOYSA-N 358.762 3.596 0 40 FHAB Cc1c(Cl)cccc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2 711815 ICZDKWXEIJFTRK-UHFFFAOYSA-N 357.763 3.991 0 40 FHAB O=C(Nc1nnc(-c2ccc(Br)cc2)s1)c1ccco1 799484 GLYPSWCYIKRDGC-UHFFFAOYSA-N 350.197 3.813 0 40 FHAB CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1 20744358 KKXHFVGGUBIIAJ-NQIIRXRSSA-N 350.462 3.970 0 40 FHAB CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1ccccc1 870540 IYOBKZPKWAEQDY-GDBMZVCRSA-N 358.511 3.752 0 40 FHAB Cc1cc2cc3c(cc2nc1SCC(=O)Nc1nccs1)OCCO3 928347 SEVKGXMWRDZCMP-UHFFFAOYSA-N 373.459 3.502 0 40 FHAB CCCc1sc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)cc1CC 11877625 VNYGSECNWNQQCC-NSHDSACASA-N 350.440 3.743 0 40 FHAB CCc1c(-c2nnc(-c3cccnc3)o2)nnn1-c1ccc(Cl)cc1 20715235 OSYOZBSKPYJILD-UHFFFAOYSA-N 352.785 3.595 0 40 FHAB CC[C@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NC1CCCCC1 1381336 CQEIHRXFNLXVIZ-VIFPVBQESA-N 365.282 3.834 0 40 FHAB O=C(COC(=O)CCSc1ccc(Cl)cc1)NC1CCCCC1 3321452 KNMRTNIWCFQKRH-UHFFFAOYSA-N 355.887 3.814 0 40 FHAB COCCN(C(=O)c1ccco1)c1nc(-c2ccc(OC)cc2)cs1 4169353 OYFOBYSCQKFIBF-UHFFFAOYSA-N 358.419 3.705 0 40 FHAB COc1ccc(C(C)=O)cc1CC(=O)N(C)Cc1nc2ccccc2s1 32740966 RSXGQHIGHXEPBH-UHFFFAOYSA-N 368.458 3.709 0 40 FHAB CCCCCCC1=NN(C(=O)c2ccccc2N)[C@@](O)(C(F)(F)F)C1 4903185 OWCFAHARQNKNMH-INIZCTEOSA-N 357.376 3.692 0 40 FHAB CCCCN1C(=O)S[C@@H](Cc2ccc(OC)c(Br)c2)C1=O 6647619 NXCJVCJGXKKESF-ZDUSSCGKSA-N 372.284 3.864 0 40 FHAB COc1cc(CNC2CCCCCC2)ccc1OCC(=O)NC(C)(C)C 6882430 VSAXRCUNWVOXBT-UHFFFAOYSA-N 362.514 3.801 0 40 FHAB COC[C@@H](C)NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 7604431 IMLUTJPFDRQQLT-CYBMUJFWSA-N 370.836 3.594 0 40 FHAB C[C@@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)c1cccc(Cl)c1 32973789 HPFISSDUKGUARK-IUODEOHRSA-N 352.862 3.917 0 40 FHAB O=C(NCc1cn2ccccc2n1)c1cc(Br)ccc1Cl 7945558 XVYMNVRYAKNSKE-UHFFFAOYSA-N 364.630 3.680 0 40 FHAB CCN1CCN(Cc2ccc(NC(=O)c3cccc(C)c3C)cc2)CC1 32916033 UJVCWBFQELGMMF-UHFFFAOYSA-N 351.494 3.693 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3Cl)c2)cc1 2792563 YSSISQINZBEYCG-UHFFFAOYSA-N 361.854 3.694 0 40 FHAB Cc1nc(NCCCN2CCOCC2)c2c(-c3ccccc3)csc2n1 33012201 MAOWFVACSGFKFO-UHFFFAOYSA-N 368.506 3.801 0 40 FHAB CN1CCN(Cc2ccccc2C(=O)c2cccc(Cl)c2Cl)CC1 22028240 QLRLCZZWZIJJAG-UHFFFAOYSA-N 363.288 3.972 0 40 FHAB CC(=O)c1cc2c(cc1NC(=O)[C@@H](C)Oc1ccc(C)cc1C)OCO2 683067 SBOJSRKAGCVCCO-CQSZACIVSA-N 355.390 3.641 0 40 FHAB COc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)NC(C)(C)C 679411 LVTGKEPEUNGJAA-UHFFFAOYSA-N 360.429 3.740 0 40 FHAB Cc1cc(C(F)(F)F)nc(SCC(=O)c2ccc3c(c2)OCO3)n1 12249810 UBIDPBBLZVTILY-UHFFFAOYSA-N 356.325 3.508 0 40 FHAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1cccc(C(=O)N(C)C)c1 22534447 SZINUZPSEUSIOF-UHFFFAOYSA-N 361.445 3.735 0 40 FHAB COc1cc(C(=O)OCC(=O)Nc2ccccc2C)ccc1OC(C)C 9174902 VBQSAIVJWOXPRS-UHFFFAOYSA-N 357.406 3.586 0 40 FHAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc(C(=O)NC2CC2)c1 9500970 HTEIXMRWXDYTBM-UHFFFAOYSA-N 362.351 3.779 0 40 FHAB c1cncc(-c2nnc(SCc3noc(-c4ccco4)n3)n2C2CC2)c1 23038028 YWVSELKZQZAFNH-UHFFFAOYSA-N 366.406 3.610 0 40 FHAB CC(=O)NCc1ccc(-c2csc(NC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)n2)o1 104622750 XRRVSXOYMRCEMR-MELADBBJSA-N 373.478 3.804 0 40 FHAB COc1ccc2c(c1)CCCN2C(=O)c1cccc(Nc2ncccn2)c1 24862679 VWRLQJRBUZDPLL-UHFFFAOYSA-N 360.417 3.822 0 40 FHAB COc1ccccc1/C=C/CN1C[C@H]2CCC[C@H](C1)C2(O)c1cccnc1 100148498 GPOIPVRAQNIIHX-JHNWYVAOSA-N 364.489 3.723 0 40 FHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NC1CCN(C(=O)Nc2ccccc2)CC1 107134224 NZKZNJIXSDFHPX-ULQDDVLXSA-N 355.482 3.625 0 40 FHAB ClC1(Cl)C[C@@H]1CSc1nnc([C@@H]2COc3ccccc3O2)o1 26436927 PTZDRCMYPHRGKQ-KCJUWKMLSA-N 359.234 3.868 0 40 FHAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(CN2CCCC2)o1 27984646 ZGURUAOPYDXKMO-UHFFFAOYSA-N 352.356 3.824 0 40 FHAB COc1ccc([C@@H](CC(=O)c2cccs2)SCCO)cc1OC 1896332 ITSOYFSQNBALNV-QGZVFWFLSA-N 352.477 3.805 0 40 FHAB O=C(OCC(=O)N1CCc2ccccc21)c1cc(Cl)cc(Cl)c1 3271260 ZJEYKMIZNUVEKM-UHFFFAOYSA-N 350.201 3.740 0 40 FHAB CCN(CC)c1ccc(NC(=O)CCc2c(C)nc(SC)nc2C)cn1 44639171 HXTPPGPORMEWPU-UHFFFAOYSA-N 373.526 3.628 0 40 FHAB CCN1CCN(c2ccc(N[C@H](C)c3nc(C(C)C)no3)c(C)c2)CC1 58178154 NIVRIXGJLYLONO-MRXNPFEDSA-N 357.502 3.816 0 40 FHAB C[C@@H](c1ccccc1)N(C)C(=O)NCc1cccc(NC(=O)C2CC2)c1 10367782 UVKMMQJHSSIAKE-HNNXBMFYSA-N 351.450 3.938 0 40 FHAB CCOc1ccc(-c2nsc(NC(=O)c3ccc(OC)cc3)n2)cc1 28287399 UVCHJNHJCVXRBD-UHFFFAOYSA-N 355.419 3.865 0 40 FHAB Cc1cc2oc(=O)cc(COC(=O)c3cc(CO)oc3C)c2cc1C(C)C 10725131 RXABVZXXZWNIKB-UHFFFAOYSA-N 370.401 3.976 0 40 FHAB O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccccc1-c1ccccc1 3368234 UYSVRRPGKDFDMZ-UHFFFAOYSA-N 374.227 3.856 0 40 FHAB CC1(C)CC(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)CC(C)(C)N1 11422783 OOTRJCUQBACOBS-UHFFFAOYSA-N 358.511 3.574 0 40 FHAB COc1ccc(NC(=O)CSc2nc(-c3ccccc3)c[nH]2)c(OC)c1 12777079 SVAGZZBOLJGWBL-UHFFFAOYSA-N 369.446 3.825 0 40 FHAB O=C(C[C@@H]1C=CCC1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 48324026 WDDJICQDRJYCNB-CYBMUJFWSA-N 367.276 3.634 0 40 FHAB CCOc1cc(/C=C/C(=O)Nc2c(C)nn(C)c2C)cc(Cl)c1OC 12817047 IAAQCQDEARAIAB-BQYQJAHWSA-N 363.845 3.750 0 40 FHAB COc1cc(/C=C/C(=O)N2CCc3sccc3[C@@H]2C)cc(OC)c1OC 12921672 KHFNNYTVLVWTOH-GFUIURDCSA-N 373.474 3.933 0 40 FHAB COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)NCC(C)C)cc1 12915329 FXLZHGGSHNDVCQ-OAHLLOKOSA-N 369.465 3.520 0 40 FHAB CCCn1cc(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc21 3653386 CRRQNMPPLDHYPU-UNOMPAQXSA-N 359.454 3.822 0 40 FHAB COCCSc1nc(NC(=O)c2ccccc2)c2c(C)c(C)oc2n1 13009573 UUXRMJZIRIUUJB-UHFFFAOYSA-N 357.435 3.830 0 40 FHAB C[C@H](C(=O)Nc1cccc2ccccc12)N1CCN(c2ccccc2)CC1 13141599 MYDUIYXCNQSDOP-GOSISDBHSA-N 359.473 3.989 0 40 FHAB COc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)C2CCC(C)CC2)cc1 3895888 WATBNCWKBIZLNW-RJYAGPCLSA-N 360.498 3.991 0 40 FHAB COc1cc(NC(=O)[C@H](C)Sc2ccc(NC(C)=O)cc2)cc(OC)c1 17076630 LSKPBSKBBHHDNL-LBPRGKRZSA-N 374.462 3.782 0 40 FHAB CC(C)C[C@H](NC(=O)CN1CCCCCCC1=O)c1nc2ccccc2[nH]1 49612780 YTTQMSHTSBLJTA-SFHVURJKSA-N 370.497 3.559 0 40 FHAB Cc1ccc2nc3sc(C(=O)Nc4ccccc4F)cc3c(=O)n2c1 17122485 NJVYWCZPMMFRSR-UHFFFAOYSA-N 353.378 3.609 0 40 FHAB O=C(c1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 28629179 BJSYDPLPQQMERG-UHFFFAOYSA-N 355.390 3.858 0 40 FHAB CCOC(=O)c1cccc(-c2nnc(-c3cccc(C(=O)OCC)c3)o2)c1 39616836 LGCMLHMHFQZNJU-UHFFFAOYSA-N 366.373 3.757 0 40 FHAB Cc1c(C(=O)OCC(=O)N(C)Cc2ccco2)oc2c(Cl)cccc12 39621224 UIXRSOXRXIWNJU-UHFFFAOYSA-N 361.781 3.803 0 40 FHAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C 65505099 WOHJTDSTJSTPHK-PMPSAXMXSA-N 356.466 3.588 0 40 FHAB COc1cc(C(=O)NCc2ccc(Cl)cc2)cc(Br)c1O 14168749 WTZYHVMLMZSEAQ-UHFFFAOYSA-N 370.630 3.747 0 40 FHAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(S(C)(=O)=O)cc1 14199914 XSFUETKFYWLAPD-UHFFFAOYSA-N 359.491 3.660 0 40 FHAB Cc1nn(Cc2ccccc2F)c(C)c1NS(=O)(=O)Cc1ccccc1 14233680 MAHYWXJUCTXSDI-UHFFFAOYSA-N 373.453 3.629 0 40 FHAB CC(C)n1ncc2cc(NC(=O)[C@@H]3COc4ccc(Cl)cc4C3)cnc21 17574592 DXNNLPPYKJJLMP-AWEZNQCLSA-N 370.840 3.855 0 40 FHAB COc1ccccc1[C@@H]1C[C@@H](c2ccc(C)cc2)N(C(C)=O)c2ncnn21 4816923 HHITXUBJJKDRFG-OALUTQOASA-N 362.433 3.682 0 40 FHAB O=C(Nc1nn(Cc2ccccc2F)cc1Br)C1CCCC1 28573818 OSMKWGMPJFCXRZ-UHFFFAOYSA-N 366.234 3.962 0 40 FHAB COc1ccc([C@H](CNC(=O)Cc2ccsc2)N2CCCCC2)cc1 5937455 YRXXOSIWTBDQMJ-IBGZPJMESA-N 358.507 3.643 0 40 FHAB COc1ccc2oc(-c3ccc(CNC(=O)c4cccnc4)cc3)nc2c1 67207099 PMXHEPNNOOEMRK-UHFFFAOYSA-N 359.385 3.828 0 40 FHAB CN(Cc1ccc2c(c1)OCO2)C(=O)C(C)(C)Oc1ccc(Cl)cc1 7272973 GRDDQZRNCVAKGS-UHFFFAOYSA-N 361.825 3.885 0 40 FHAB CCn1nc(C(=O)N[C@H](CC(C)C)c2ccccc2)c2ccccc2c1=O 8944835 AKFBNYQJDBBMQB-LJQANCHMSA-N 363.461 3.934 0 40 FHAB O=C(NC(=S)Nc1ccc(C(=O)O)c(Cl)c1)c1cccc(Cl)c1 20437117 IRWHYZFSTXDAGJ-UHFFFAOYSA-N 369.229 3.818 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 22514546 RWLAFKJJCNOJMW-KDOFPFPSSA-N 373.449 3.747 0 40 FHAB COc1ccc(CCNC(=O)N[C@H](c2ccccc2)C2CC2)cc1OC 9878599 MBESTEKAXGBIKF-HXUWFJFHSA-N 354.450 3.697 0 40 FHAB C[C@H](N[C@@H]1CC(=O)N(c2ccccc2)C1=O)C12CC3CC(CC(C3)C1)C2 19889566 SLMWKNYKHBTVTM-ZWCZNYOASA-N 352.478 3.513 0 40 FHAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccccc1OC1CCCC1 71805095 TZJIGFGKEWGCJO-YCRPNKLZSA-N 367.445 3.853 0 40 FHAB Cc1cccc(N(C)C(=O)COC(=O)c2ccc(C(F)(F)F)cc2)c1 72330062 PAWBGFDAHGMZSA-UHFFFAOYSA-N 351.324 3.834 0 40 FHAB O=C(NCCC(=O)N1CCCCCC1)c1ccc(-c2ccccc2F)o1 84514528 LCUPKSKCDSSKSW-UHFFFAOYSA-N 358.413 3.608 0 40 FHAB COc1ccc([C@@H]2C[C@@H](C)N(C(=O)CN3CCc4sccc4C3)C2)cc1 84686418 XYQPQWSKFWFYNH-CRAIPNDOSA-N 370.518 3.519 0 40 FHAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2c(c1)NC(=O)CO2 84734584 VLIMKQUOPYSPQL-IEBWSBKVSA-N 364.445 3.816 0 40 FHAB COC[C@H](N[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1)C1CC1 95432521 WMMLBNKOSFQWRJ-FPOVZHCZSA-N 368.477 3.698 0 40 FHAB Cc1cc(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)c2cnn(C(C)C)c2n1 120922275 IOBKOIVIGVYELW-FFZOFVMBSA-N 360.461 3.779 0 40 FHAB O=C(NC(=S)Nc1ccc(Br)cc1F)c1ccc(F)cc1 408626977 JTTVOBHLKZOBPH-UHFFFAOYSA-N 371.206 3.854 0 40 FHAB COCCOc1ccc(-c2noc([C@@H]3CCCN3C3CCCCC3)n2)cn1 35425399 VWXDVNGDMXNWNF-KRWDZBQOSA-N 372.469 3.626 0 40 FHAB biogenic,in-vitro O=C(c1ccco1)N1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc2c(c1)OCO2 2102382 LVUOKRPGTOQAIM-QFIXIFRTSA-N 369.417 3.517 0 40 FHAB biogenic O=C(Nc1cccc(-c2ccccc2)c1)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 518703151 MLLHZDYDNUTVSA-OALUTQOASA-N 370.474 3.537 0 40 FHAB Cc1cc(Cl)ccc1-n1ncc2c(NCc3cccnc3)ncnc21 35681871 CNYQGIGCVXYIPH-UHFFFAOYSA-N 350.813 3.784 0 40 FHAB COc1ccc(-c2noc([C@@H]3CCCN3Cc3ccccc3F)n2)cn1 35425839 XBLBBVSVDZGQSQ-INIZCTEOSA-N 354.385 3.616 0 40 FHAB biogenic,in-vitro O=C(Cc1ccc(Br)cc1)N1[C@H]2CC[C@H]1CC(n1ccnc1)C2 1565519725 NBLYSTSKSGPUDZ-HOTGVXAUSA-N 374.282 3.583 0 40 FHAB COc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(C)cc3)n2)cn1 35425882 AUOKKNKBNLENJU-KRWDZBQOSA-N 350.422 3.786 0 40 FHAB biogenic,in-vitro Cc1ccc(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)cc1C 48365162 BIUSFIXZROBCOC-UHFFFAOYSA-N 359.429 3.881 0 40 FHAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NCc1ccccc1 222980033 MFDPDFXLISUXFE-QGZVFWFLSA-N 368.477 3.529 0 40 FHAB COc1ccc(C(=O)N2CCOCC2)cc1COc1cc(C)cc(C)c1C 224281104 RCKGRBWPYKRCKZ-UHFFFAOYSA-N 369.461 3.672 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)CCOc2ccccc2)cc1OC 40042761 CMPJGUJPYYAIOZ-GOSISDBHSA-N 355.434 3.836 0 40 FHAB CO[C@](C)(C(=O)Nc1ccc(OCCCN2CCCCC2)cc1)C1CC1 225644360 NJVDKDOLYZQTER-NRFANRHFSA-N 360.498 3.695 0 40 FHAB Cc1cc(C)cc(OCC(=O)NCC2(c3ccccc3)CCOCC2)c1 223244866 HFFBPPNPHNSZQV-UHFFFAOYSA-N 353.462 3.547 0 40 FHAB CCCO[C@@]1(C(=O)Nc2ccc(OC)c(C(=O)OC)c2)CCC[C@@H](C)C1 225853233 HDWRDKPXQVTHST-VLIAUNLRSA-N 363.454 3.796 0 40 FHAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccn2)S1 222587015 OGNBCUYUQFAZNC-CCKFTAQKSA-N 361.474 3.857 0 40 FHAB CCCO[C@@](C)(C(=O)Nc1ccc(OCCN(CC)CC)cc1)C1CC1 225671704 VGUIUPLDTLZYSD-OAQYLSRUSA-N 362.514 3.941 0 40 FHAB COc1ccccc1O[C@H](Cc1cccc(Br)c1)C(=O)O 225063729 XTYJMMQFBMJQDP-OAHLLOKOSA-N 351.196 3.532 0 40 FHAB Cc1ccc(OCCNC(=O)CCCc2ccc3c(c2)OCCO3)cc1C 224945931 RCANUATXMZFVLK-UHFFFAOYSA-N 369.461 3.593 0 40 FHAB O=C(Nc1ccccc1)c1cccc(CSc2nnnn2C2CC2)c1 48344336 ZIPNGJFJZHJZRN-UHFFFAOYSA-N 351.435 3.553 0 40 FHAB O=c1c2c(-c3ccc(F)cc3)n3ncnc3nc2ccn1C1CCCCC1 40398297 ZXDVGKUBSFEYAQ-UHFFFAOYSA-N 363.396 3.751 0 40 FHAB COc1cccc(OCC(=O)Nc2nnc(-c3ccc(C)cc3)s2)c1 225824050 JAFGRZPUNZCPQR-UHFFFAOYSA-N 355.419 3.540 0 40 FHAB COc1ccc(CCCNC(=O)c2ccc(OC(C)C)cc2)cc1OC 149264325 XRZMHBINASKFHJ-UHFFFAOYSA-N 357.450 3.854 0 40 FHAB O=C(N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21)c1n[nH]c2c1CCC2 96118020 OSMQHNGNAJLTGY-HNNXBMFYSA-N 354.841 3.841 0 40 FHAB O=C(Cc1cccs1)N1C[C@H]2CCC[C@@]2(COCc2cccnc2)C1 96109256 ZZKZXYWUFFJARM-XLIONFOSSA-N 356.491 3.531 0 40 FHAB c1ccc2c(c1)[C@H](N[C@H]1CCOC1)CC21CCN(Cc2nccs2)CC1 96241488 YZYFEDWDMSHYBV-QFBILLFUSA-N 369.534 3.500 0 40 FHAB Cc1onc(C(C)C)c1C(=O)N1Cc2nccn2C[C@H]1c1ccccc1 257316603 VGGOLIKJMCHJPN-INIZCTEOSA-N 350.422 3.700 0 40 FHAB CCOC(C)(C)C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1 260818199 XLABUFNTSCBZLZ-KRWDZBQOSA-N 362.514 3.941 0 40 FHAB O=C(Nc1ccccc1OCc1ccccc1)N1C[C@H]2C[C@@H](O)C[C@H]1C2 640329410 ZUKHQYTUFHFFRC-KZNAEPCWSA-N 352.434 3.643 0 40 FHAB C[C@@H](C1CC1)n1nccc1NC(=O)NCC(F)(F)c1cccc(F)c1 666783027 LBCWXAQRMDPSQZ-NSHDSACASA-N 352.360 3.907 0 40 FHAB Cn1cccc1C(=O)N1CCCCC[C@@H]1c1noc(-c2ccc(F)cc2)n1 679459719 CWMZEBMTNPEVGT-MRXNPFEDSA-N 368.412 3.972 0 40 FHAB CCCCOc1ccc(C(=O)NC[C@H](OC)c2cccc(OC)c2)cc1 96389976 GULXVJVLEHDWNA-FQEVSTJZSA-N 357.450 3.992 0 40 FHAB CO[C@](C)(CNS(=O)(=O)Cc1cccc(C)c1)c1cccc(Cl)c1 96392811 IEPCWGXTKFQPFA-GOSISDBHSA-N 367.898 3.630 0 40 FHAB Cc1ccccc1OCCN(C)C(=O)c1cc(C2CC2)nn1C(C)(C)C 47792690 VTUNQGRAUNATNA-UHFFFAOYSA-N 355.482 3.975 0 40 FHAB CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)C(=O)[C@H](OC(C)=O)C[C@H]12 5228512 QZQSENRWYLQIPC-AIYVTKCESA-N 370.445 3.579 0 40 FHAB CN(C)CC1CCC2(CC1)CN(Cc1ccccn1)Cc1ccccc1O2 12088447 SBKWOMXIYPXXPV-UHFFFAOYSA-N 365.521 3.967 0 40 FHAB O=C(NCCc1nc(-c2ccc(Cl)cc2)n[nH]1)C1(c2ccccc2)CC1 12114708 RGPONGKEFQSOKF-UHFFFAOYSA-N 366.852 3.516 0 40 FHAB COc1cc(NCc2cc3cc(C)c(C)cc3[nH]c2=O)cc(OC)c1OC 12144299 DXTVOQGKDUBGJB-UHFFFAOYSA-N 368.433 3.783 0 40 FHAB CCOc1ccccc1CCCNS(=O)(=O)Cc1ccccc1Cl 13673712 ATQXCFDTRHACSU-UHFFFAOYSA-N 367.898 3.791 0 40 FHAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2C)c1 14067510 ZHPNKSNHLIBIQG-UHFFFAOYSA-N 352.463 3.830 0 40 FHAB CC(=O)NC(=S)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)c(O)c1 14257528 MXSRPWHDGQVOHM-UHFFFAOYSA-N 355.419 3.650 0 40 FHAB C[C@H](NC(=O)c1nnc(Cc2c(F)cccc2Cl)o1)c1ccccc1 16576924 SIUSLWBAPQWQEE-NSHDSACASA-N 359.788 3.944 0 40 FHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1cc(Cl)ccc1C 17074999 NDXBQVVORVMEQW-UHFFFAOYSA-N 364.854 3.792 0 40 FHAB Cc1csc([C@H](Cc2ccsc2)NC(=O)C[C@H](C)n2cccn2)n1 19240145 ZLSQLKTVPGAXED-ZFWWWQNUSA-N 360.508 3.761 0 40 FHAB Cn1cc(-c2cc(C(=O)Nc3cccc(CCc4ccncc4)c3)no2)cn1 19290764 LVCJXLIKELOICR-UHFFFAOYSA-N 373.416 3.508 0 40 FHAB Cc1oc2c(c1C(=O)N1CCC(CCn3ccnc3C)CC1)CCCC2 19714191 ONPSMVMGXUWMRX-UHFFFAOYSA-N 355.482 3.914 0 40 FHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(C(C)C)cc3)ccc21 19936756 VCTASZAOPRCJOZ-UHFFFAOYSA-N 360.435 3.539 0 40 FHAB Cc1ccc(OCc2nnc(SC/C=C/c3ccccc3)n2N)c(C)c1 8393697 MMDFLMUOFRZULW-RMKNXTFCSA-N 366.490 3.993 0 40 FHAB O=C1CCc2ccccc2N1CC(=O)N1CCCCC[C@@H]1c1ccncc1 110217510 OHEJMIAHEAWCOU-LJQANCHMSA-N 363.461 3.505 0 40 FHAB COC(=O)c1ccc(-c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)o1 226306573 UEOBVGSBXYNBAS-UHFFFAOYSA-N 371.414 3.842 0 40 FHAB COC(=O)c1ccc(NCN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1 4456884 SSYQEMGVBVVQJQ-LFIBNONCSA-N 368.414 3.579 0 40 FHAB O=C(NC1CCCCC1)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCO1 19740150 UBRKIIDAFBDNHZ-NRFANRHFSA-N 354.450 3.882 0 40 FHAB CN(C)C(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 6090805 DNFSLRJLXHRJDZ-UHFFFAOYSA-N 353.856 3.785 0 40 FHAB CCC[C@@H](NC(=O)CCn1cnc2sccc2c1=O)c1ccccc1 11238964 VPFZWZGVUJORDZ-MRXNPFEDSA-N 355.463 3.506 0 40 FHAB O=C(Nc1ccc(F)cc1Cl)[C@@H]1CC(=O)N(CCc2ccccc2)C1 15009805 YTEXPNMXJASKCJ-CQSZACIVSA-N 360.816 3.509 0 40 FHAB CC(C)c1cc(C(=O)OCc2nnnn2-c2ccccc2)c2ccccc2n1 18024789 XRCPYFOLWWKYPZ-UHFFFAOYSA-N 373.416 3.691 0 40 FHAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2)cc1)[C@@H]1CCCO1 30762507 FJOQQOAZBWUCDR-QFIPXVFZSA-N 364.489 3.745 0 40 FHAB O=C(Nc1ccc(O)c(C(=O)O)c1)c1cccc(OCc2ccccc2)c1 20144962 FXPIUOWKXTXEIH-UHFFFAOYSA-N 363.369 3.922 0 40 FHAB Cc1nn(CCNC(=O)NCc2ccc(F)cc2)c(C)c1-c1ccccc1 238848864 IZGDSLLDWUNEPB-UHFFFAOYSA-N 366.440 3.805 0 40 FHAB CCSc1nnc(NC(=O)CSc2c[nH]c3ccccc23)s1 3582086 QTEWJOPFLDRYSN-UHFFFAOYSA-N 350.494 3.862 0 40 FHAB Cc1ccc(C(=O)N2CC[C@]3(COc4ccc(-c5cccnc5)cc43)C2)o1 2055785166 QSCOILOHVGAICU-JOCHJYFZSA-N 360.413 3.826 0 40 FHAB CC(C)c1ccc(OCC(=O)N2[C@H]3CC[C@H]2CC(n2cccn2)C3)cc1 1775975186 BMMOYVQZCZCXKJ-ROUUACIJSA-N 353.466 3.780 0 40 FHAB Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](N=NN3c3ccc(C)c(Cl)c3)C2=O)c1 23125743 YNEGTWITNLBRJH-SJORKVTESA-N 368.824 3.763 0 40 FHAB CSc1ccccc1NC(=O)Cc1cc(-c2ccc3c(c2)OCO3)on1 23127325 UUUSXBMELKFUCP-UHFFFAOYSA-N 368.414 3.973 0 40 FHAB Cc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2CCC[C@H](C)C2)cc1 23156844 XARUODAQLZYQDO-BBRMVZONSA-N 356.495 3.935 0 40 FHAB O=C(c1cc(-c2cccs2)[nH]n1)N1CCC(Oc2ccsc2)CC1 575620283 SBWAOIJJECJQMZ-UHFFFAOYSA-N 359.476 3.883 0 40 FHAB O=C(NCc1cn(-c2ccsc2)nn1)c1ccc(Cl)c(Cl)c1 575618209 KBOXDJYDFBNYOY-UHFFFAOYSA-N 353.234 3.566 0 40 FHAB O=C(Nc1cc2c3c(c1)CC(=O)N3CCC2)c1ccc(Br)cc1 4850562 KDEUYAAXEJHXLG-UHFFFAOYSA-N 371.234 3.537 0 40 FHAB O[C@@](/C=C/c1ccc(Br)cc1)(Cn1ccnc1)c1cccnc1 18191389 PCQKJYLOGPFRBW-DVBCCOPCSA-N 370.250 3.642 0 40 FHAB Cc1cccnc1NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 40115885 DSXBWSBRQQGVBE-AWEZNQCLSA-N 352.463 3.855 0 40 FHAB COc1ccc(S[C@@H](C)C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 40153892 JFCVWSWUOJCBTF-GUYCJALGSA-N 364.536 3.656 0 40 FHAB CCOc1cc(CN[C@H](c2ccc(F)cc2)c2nccn2C)ccc1OC 30644543 LSHOQMMZOFFTGG-HXUWFJFHSA-N 369.440 3.846 0 40 FHAB CN(C)c1ccc(NC(=O)Cc2n[nH]c3ccccc23)c(C(F)(F)F)c1 50589169 KQOQHDDXVRNTPN-UHFFFAOYSA-N 362.355 3.829 0 40 FHAB COc1ccccc1N1C(=S)N[C@H]2c3cccc(OC)c3O[C@@]1(C)[C@@H]2C 101390475 CHHARZCHSDTLHS-XSXHMXBXSA-N 370.474 3.884 0 40 FHAB COc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C)c(OC)c1 29520241 PASFFGDGSLWIJI-UHFFFAOYSA-N 351.406 3.759 0 40 FHAB COc1c2c(cc3c1[C@H](n1ccc4ccc(F)cc41)N(C)CC3)OCO2 20759345 NMWFHRFZEBIUKN-FQEVSTJZSA-N 354.381 3.553 0 40 FHAB biogenic Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)OCc1ccccc1 862017 FRNPSHDYIBTBKP-QGZVFWFLSA-N 356.447 3.645 0 40 FHAB COc1cc(C(=O)NCc2ccc(C(C)(C)C)cc2)cc(OC)c1OC 1049850 ACZWDHCPMOTMPD-UHFFFAOYSA-N 357.450 3.940 0 40 FHAB COc1ccc(-c2noc(CSc3ncc4ccccn34)n2)cc1OC 32575045 BDBYEIILWZFPFO-UHFFFAOYSA-N 368.418 3.694 0 40 FHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)CCc1nc(-c3cccnc3)no1)C2 102173493 GNAYGCRYWQXYLB-MDOVXXIYSA-N 355.438 3.822 0 40 FHAB O=C(CCCC(=O)c1cccs1)NCCNc1nc2ccccc2s1 32828087 WXJCDMBLDXJUSY-UHFFFAOYSA-N 373.503 3.939 0 40 FHAB COc1ccc(OC)c(COC(=O)Cc2coc3cc(OC)ccc23)c1 6851051 AFRBHWKYGXPIHE-UHFFFAOYSA-N 356.374 3.745 0 40 FHAB CCCCn1nnnc1NCc1ccc(-c2ccc(C(=O)OCC)cc2)o1 7262184 LRYWHEVXKJADQH-UHFFFAOYSA-N 369.425 3.522 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2F)CC1 7504760 MBKRKDHFCDRBIA-AWEZNQCLSA-N 362.832 3.595 0 40 FHAB CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(C(F)(F)F)cc1 7842386 BGGQJDIXHWGKQC-UHFFFAOYSA-N 370.396 3.545 0 40 FHAB CCOC(=O)c1csc(NC(=O)c2cc(-c3ccccc3)ns2)n1 89984925 RPUPSESCXPARNW-UHFFFAOYSA-N 359.432 3.696 0 40 FHAB Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)Nc1cccc(C(F)F)c1 75582005 JHTZNTIRJFUNEV-UHFFFAOYSA-N 359.325 3.571 0 40 FHAB Cc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccccc1C 8412564 FUGZJYITFKSAGI-UHFFFAOYSA-N 368.433 3.594 0 40 FHAB O=C(Nc1ccc(Cl)cn1)c1ccn(COc2ccc(Cl)cc2)n1 2787244 JUZRTXZOBZPSKK-UHFFFAOYSA-N 363.204 3.874 0 40 FHAB O=c1[nH]c(N2CCc3ccccc3C2)nc2nccc(-c3ccccc3)c12 22606769 XVZWLHBOMJVYOL-UHFFFAOYSA-N 354.413 3.548 0 40 FHAB Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)c(C)c3)[C@@H](C)C2)cc1C 670308 FQBOYPKPJMYBGZ-IBGZPJMESA-N 364.489 3.907 0 40 FHAB CCOC(=O)c1cnn(-c2ccc(C(C)C)cc2)c1NC(=O)C1CCC1 692119 AGOPEKPBWZFFKA-UHFFFAOYSA-N 355.438 3.911 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2c(C)nn(Cc3ccccc3F)c2C)cc1 2792381 OZHGSMOXRIAHOG-UHFFFAOYSA-N 373.453 3.797 0 40 FHAB O=C(O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2F)ccc1Cl 47318123 ZACDBHUAVCGAIT-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB O=C(Cc1cccc2ccccc12)NCc1ccc(CN2CCOCC2)cc1 23819335 DRHIHMOVGHAPGR-UHFFFAOYSA-N 374.484 3.531 0 40 FHAB O=C(Nc1ccccc1C(F)(F)F)c1c(O)n2c3c(cccc3c1=O)CC2 1244348 HZCSENMHZVNOBN-UHFFFAOYSA-N 374.318 3.534 0 40 FHAB COC(=O)c1cc(NC(=O)c2ccc(OC(F)F)cc2)c(F)cc1F 24990958 GLZPGHPXLISKHE-UHFFFAOYSA-N 357.259 3.605 0 40 FHAB Cn1ccnc1[C@H](NC(=O)c1cc(-c2ccccc2)on1)c1ccccc1 25159644 OQKRYHJKZSIHLU-LJQANCHMSA-N 358.401 3.595 0 40 FHAB CC(C)[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccccc1 25158439 WIFMLFUPUIMIPK-NRFANRHFSA-N 350.462 3.936 0 40 FHAB CCc1n[nH]c(SCc2ccc(NC(=O)c3cccnc3Cl)cc2)n1 20611460 YTCUOZDLGYRQHW-UHFFFAOYSA-N 373.869 3.960 0 40 FHAB Cc1cc(NC(=O)[C@H](C)Nc2cccc(COCc3ccco3)c2)on1 56188638 WMVFGZJTFPNHLU-AWEZNQCLSA-N 355.394 3.732 0 40 FHAB COC(=O)c1c(C)nsc1NC(=O)N(C)[C@@H]1CCCc2ccccc21 56320634 LQWDZFMMZUDDII-CQSZACIVSA-N 359.451 3.779 0 40 FHAB CC(C)=C[C@@H]1[C@@H](C(=O)OCC(=O)Nc2ccc3c(c2)OCCCO3)C1(C)C 26083501 HGDAVHGONCBAEB-BEFAXECRSA-N 373.449 3.568 0 40 FHAB Cc1cc(C)n(-c2ccccc2NC(=O)NCCCOCc2ccco2)n1 44209024 DFGAIXYKXMEGPO-UHFFFAOYSA-N 368.437 3.811 0 40 FHAB Cc1ccc(-n2cccc2/C=c2\sc3nc4ccccc4n3c2=O)cc1C 107306449 MBGUFCHKFPPIOY-MOSHPQCFSA-N 371.465 3.864 0 40 FHAB O=C([C@H]1C[C@@H]2CC[C@@H]1C2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 100656982 NUGNDGUTWSCSFP-CPUCHLNUSA-N 352.400 3.790 0 40 FHAB Cc1cc(=O)n(CC(=O)Nc2cccc(Cl)c2)c(-c2ccc(F)cc2)n1 57477862 VIXXQPSYSXPCIB-UHFFFAOYSA-N 371.799 3.650 0 40 FHAB O=C1N[C@@H](c2cccc(O)c2)Nc2c1sc(=S)n2-c1ccccc1 59459456 QFRRFPSAFIBWER-AWEZNQCLSA-N 355.444 3.828 0 40 FHAB COc1cc(C(=O)N(C)c2ccc(N3CCCC3)cc2)cc(OC)c1OC 10113715 SQWDMYKKUSNHSC-UHFFFAOYSA-N 370.449 3.589 0 40 FHAB O=C(COc1cccc2c1CCC2=O)Nc1ccc(Br)cc1 10197578 VOLKDJRNZNEXAQ-UHFFFAOYSA-N 360.207 3.596 0 40 FHAB COc1cc(NC(=O)c2sc3ccccc3c2C)c(C(N)=O)cc1OC 58202494 AQKWAJBNRVCDRN-UHFFFAOYSA-N 370.430 3.578 0 40 FHAB C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCC[C@@H](C(F)(F)F)C1 12690630 ITFPDEYLDGDYGA-NWDGAFQWSA-N 366.391 3.533 0 40 FHAB O=C(CCc1nc(-c2cccs2)no1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 27849914 GMFOPRMOXDBDNM-GHMZBOCLSA-N 373.400 3.968 0 40 FHAB Cc1ccc(Cn2nccc2NC(=O)[C@@H](C)Oc2ccccc2F)cc1 28292253 OUQYJRJMITXNOK-OAHLLOKOSA-N 353.397 3.785 0 40 FHAB CCNC(=O)c1cccc(C)c1OCC(=O)N[C@@H](C)c1ccc(C)c(C)c1 48234740 NVKODZPRCVJBPF-KRWDZBQOSA-N 368.477 3.618 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)c1cc(C)nc2c1cnn2C(C)C 10964261 VZIWOSRQFZQWMV-CQSZACIVSA-N 352.438 3.820 0 40 FHAB Cc1cc(C)cc(NC(=O)COC(=O)CCC(=O)c2ccc(C)s2)c1 21422763 AFUUBDNCNZNBRI-UHFFFAOYSA-N 359.447 3.818 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@H]2CCSc3c(F)cccc32)c(C)c1 12735192 TYMNXCAFBJYMNF-HNNXBMFYSA-N 351.468 3.958 0 40 FHAB CCOc1ccccc1C(=O)N[C@H](C(=O)OCc1ccccc1C)C(C)C 11472732 HUDCJEQHFHFJFB-FQEVSTJZSA-N 369.461 3.892 0 40 FHAB CCN(c1ccc(-c2csc(-c3ccccn3)n2)cc1)S(C)(=O)=O 12863603 PRVOOVWWLRAFGL-UHFFFAOYSA-N 359.476 3.658 0 40 FHAB CCc1ccc(C(=O)CSc2nnnn2-c2cc(C)ccc2OC)cc1 3571202 IECBNSQEASWSBC-UHFFFAOYSA-N 368.462 3.517 0 40 FHAB CCCCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 12986363 ZURFSOFEDPPBIM-UHFFFAOYSA-N 366.417 3.781 0 40 FHAB Cc1ccccc1-c1nc2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2n1 3637178 IBNWIUOTFAPNSL-PDGQHHTCSA-N 361.470 3.798 0 40 FHAB CN(Cc1ccc(S(=O)(=O)N(C)C)o1)c1ccccc1-c1ccccc1 63618238 LWTNFCWABYYRTJ-UHFFFAOYSA-N 370.474 3.833 0 40 FHAB COc1ccc(C(C)=O)cc1CSc1nncn1-c1ccccc1F 6129152 ATTKPSFWUTXYSE-UHFFFAOYSA-N 357.410 3.910 0 40 FHAB CCN(CC)C(=O)CSCC(=O)Nc1ccccc1Cc1ccccc1 8748141 WXFPSSATROQOMU-UHFFFAOYSA-N 370.518 3.818 0 40 FHAB O=C(CCNC(=O)c1ccc(F)cc1)O[C@H]1CCCC[C@@H]1C(F)(F)F 65538145 FUQNDZDCIPCBDQ-KBPBESRZSA-N 361.335 3.610 0 40 FHAB CCN(CC)Cc1ccccc1CNC(=O)c1cc(=O)c2ccccc2o1 14184430 NQAXZVKRJNYYMY-UHFFFAOYSA-N 364.445 3.565 0 40 FHAB C[C@@H]1C[C@H](c2ccccc2)n2ncnc2N1C(=O)c1cccc(Cl)c1 4732692 CQCNMYANXOXKSD-CXAGYDPISA-N 352.825 3.960 0 40 FHAB COc1ccc(C(C)(C)C)cc1NC(=O)Cn1ccc(C(F)(F)F)n1 6836582 FPWAAXLCILLQIQ-UHFFFAOYSA-N 355.360 3.847 0 40 FHAB CC[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2F)n1C 4947252 XEOHFNZLONQIHG-CYBMUJFWSA-N 362.474 3.504 0 40 FHAB COc1ccc([C@H](CNC(=O)c2ccc(F)cc2)N2CCCCC2)cc1 8917213 WEVXFLBMPVUREB-FQEVSTJZSA-N 356.441 3.791 0 40 FHAB biogenic CC(=O)Nc1ccc(NC(=O)c2ccc(Br)cc2F)cc1 7068250 RKJFAMMGSXTOJM-UHFFFAOYSA-N 351.175 3.799 0 40 FHAB C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccncc1 7059160 OFZRWXLUELGCFE-VIFPVBQESA-N 364.776 3.793 0 40 FHAB Clc1ccc(-c2nnc(CSc3nnnn3C3CCCC3)o2)cc1 9051769 AHUQNUPYRPFVCH-UHFFFAOYSA-N 362.846 3.784 0 40 FHAB Cc1cc(C)cc(-n2nnnc2SCc2nc(-c3ccccc3)no2)c1 7713872 BXSNSELVINRYPT-UHFFFAOYSA-N 364.434 3.621 0 40 FHAB COc1cccc(CNC(=O)c2ccccc2NC(=O)c2cccs2)c1 22870280 ASUDXZGSMWDWHE-UHFFFAOYSA-N 366.442 3.939 0 40 FHAB O=C(CN1CSCC1=O)Nc1ccc(-c2cc3ccccc3o2)cc1 7980246 IVTYWOPSAUXXEK-UHFFFAOYSA-N 352.415 3.571 0 40 FHAB COc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)c(OC)c1OC 8244130 OTAPSJSODLIOCX-UHFFFAOYSA-N 372.446 3.594 0 40 FHAB Cc1cc(OCn2ccc(C(=O)NCc3ccccn3)n2)cc(C)c1Cl 27972852 PONVPGMURLVDRE-UHFFFAOYSA-N 370.840 3.515 0 40 FHAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCCC2(CCCCCC2)C1 81956625 LBOWHHDJXCQSHL-UHFFFAOYSA-N 359.514 3.952 0 40 FHAB CN1C(=O)c2cc(NC(=O)c3ccco3)ccc2Sc2ncccc21 96232690 KTKJKEHQTTXCFP-UHFFFAOYSA-N 351.387 3.668 0 40 FHAB COc1cc(CNC(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC 9479287 DSCTVWKOFFMXTQ-UHFFFAOYSA-N 370.232 3.949 0 40 FHAB O=C1OC(c2cccs2)=N/C1=C/c1ccc(OC[C@@H]2CCCO2)cc1 96939583 MGAQMCRHDWAGKX-KFXIKWRMSA-N 355.415 3.650 0 40 FHAB Cc1cc(SCC(=O)Nc2cnns2)c(C)cc1Br 97104284 JQMYFTYHPHEPJL-UHFFFAOYSA-N 358.286 3.648 0 40 FHAB CC(C)c1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)n1C1CC1 9954654 KKBFHRUEKIBWSB-JTQLQIEISA-N 365.890 3.904 0 40 FHAB Cc1ccc(C)c2sc(NC(=S)NC(=O)COc3ccccc3)nc12 408626799 IKWYXBRNBIMGMS-UHFFFAOYSA-N 371.487 3.805 0 40 FHAB CCOC(=O)N1N=C2CC[C@H](C(C)(C)CC)C[C@@H]2[C@]1(O)C(F)(F)F 409342625 GVWXPHVSTHJFDU-PGUXBMHVSA-N 350.381 3.918 0 40 FHAB Cc1ccc(N2C(=O)C[C@H](Nc3ccc(Br)cc3)C2=O)c(C)c1 36635438 BSHVVOFRRMNUNW-HNNXBMFYSA-N 373.250 3.810 0 40 FHAB CCCCCC[C@H](O)CC=CCCCCCCCC(=O)OC[C@@H](O)CO 4411072 HDIFHQMREAYYJW-PMACEKPBSA-N 372.546 3.891 0 40 FHAB biogenic COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1 32791056 YPJDULUOXZIPFO-OQLLNIDSSA-N 354.793 3.981 0 40 FHAB Cc1ccc(-c2nc(C)c(C(=O)N[C@H]3CN(C)Cc4ccccc43)s2)o1 534542001 VZJYQWCRDQZACA-INIZCTEOSA-N 367.474 3.936 0 40 FHAB CC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccc(F)cc1)CCC2 72372949 VVGZLAHOUYANCW-LJQANCHMSA-N 368.456 3.560 0 40 FHAB O=C(O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218474585 OIQJDMWYERKYRS-KFWWJZLASA-N 371.241 3.634 0 40 FHAB COc1ccccc1NC(=O)N1CCC(C(=O)Nc2ccc(C)cc2)CC1 35291412 YKKXUHUMBMZWMW-UHFFFAOYSA-N 367.449 3.886 0 40 FHAB Cc1cc(C)n(-c2cc(SCC(=O)Nc3cccc(C)c3C)ncn2)n1 49404079 ATEFWTJDVSCYQR-UHFFFAOYSA-N 367.478 3.627 0 40 FHAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccccc2C)cc1 223458757 HRAJBDPHCMHKRM-STZFKDTASA-N 374.440 3.984 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 223541660 QINXBLWOZCGGGI-INIZCTEOSA-N 372.896 3.826 0 40 FHAB CC(C)Oc1ccc(CNC(=S)Nc2ccc3c(c2)OCCO3)cc1 45708977 CVZNABCFTZCYEQ-UHFFFAOYSA-N 358.463 3.732 0 40 FHAB CC(C)c1ccc(N2CCN(CC(=O)NCc3ccccc3F)C2=O)cc1 49026396 CYEZKPCEILGFIO-UHFFFAOYSA-N 369.440 3.508 0 40 FHAB Cc1cccc(OCCNS(=O)(=O)c2ccc3ccccc3c2)c1C 223924335 TVLODRQZRNHUET-UHFFFAOYSA-N 355.459 3.814 0 40 FHAB O=Cc1ccc(OCc2nc(-c3ccc(Br)cc3)no2)cc1 89262954 AIQNSZCFPOYCSX-UHFFFAOYSA-N 359.179 3.891 0 40 FHAB O=C1C[C@H](c2ccc(O)cc2)c2c(ccc3nn(-c4ccc(F)cc4)nc23)N1 96117247 PJKULKRULGJCTE-MRXNPFEDSA-N 374.375 3.739 0 40 FHAB CCOC[C@@H]1CCC2(CCN(Cc3ccc4ccccc4n3)CC2)N1C 96209196 BXIAGOPCYVHJNQ-FQEVSTJZSA-N 353.510 3.700 0 40 FHAB O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(Cc1ccoc1)CC2 96100262 RPKPOLMQFOLRDA-HXUWFJFHSA-N 350.462 3.855 0 40 FHAB Cc1nc(CO[C@H]2CN(Cc3sccc3C)Cc3ccnn3C2)cs1 248064963 WQXITVHCRYNPOT-KRWDZBQOSA-N 374.535 3.619 0 40 FHAB Cc1cc(Nc2nc(C)cs2)nc([C@@H]2CCCN(C3CCOCC3)C2)n1 257279934 OITUUWMDLNYNME-OAHLLOKOSA-N 373.526 3.652 0 40 FHAB O=C([C@H]1CCCN1c1ccccc1)N1CCC(c2c[nH]c3ncccc23)CC1 683829407 CJMAWUSOHPMRLG-OAQYLSRUSA-N 374.488 3.938 0 40 FHAB O=C(Nc1ccc2nc(C(F)(F)F)oc2c1)[C@H]1COc2ccccc2O1 1130342959 FFNXTZZYTGRUCN-CQSZACIVSA-N 364.279 3.625 0 40 FHAB O=C(NCCOc1ccc(F)cc1)c1cccc(Oc2ccccn2)c1 96122637 RCTPGXCZOLCSGR-UHFFFAOYSA-N 352.365 3.822 0 40 FHAB O=C(C1CCCCC1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 585397311 OGSNTDPEJKXMSI-KRWDZBQOSA-N 369.914 3.609 0 40 FHAB CCc1ccc(-c2n[nH]c(S[C@@H]3CCN(c4ccccc4)C3=O)n2)cc1 1656066561 DFJVLCBFBNOPTO-QGZVFWFLSA-N 364.474 3.932 0 40 FHAB COc1ccc(-c2csc(NC(=O)c3cnc(SC)nc3)n2)cc1 5001165 QOUCWZHAMYKFPT-UHFFFAOYSA-N 358.448 3.583 0 40 FHAB Cc1cc(N2CCN(Cc3cccc4cccnc34)CC2)nc(C(C)C)n1 12768583 JIPXLEGXRZHCEL-UHFFFAOYSA-N 361.493 3.779 0 40 FHAB COc1ccc2[nH]c(=O)c(CN(C(C)=O)c3ccc(C)cc3C)cc2c1 13479910 ZMPMUJJHOSLVSB-UHFFFAOYSA-N 350.418 3.707 0 40 FHAB Cc1cccc(/C=C/C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c1 15175411 NQEZFSUKNJLOQJ-ZHACJKMWSA-N 362.473 3.563 0 40 FHAB O[C@@](/C=C/c1ccc(Br)cc1)(Cn1ccnc1)c1ccncc1 18191410 RFONFZXETRHMQH-MOTZXUDYSA-N 370.250 3.642 0 40 FHAB O=C(N[C@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccccc1)c1ccccc1 19369341 ZIKMQMLCWQMXJH-HXUWFJFHSA-N 373.456 3.751 0 40 FHAB Cc1c(-c2cc(C(=O)N[C@@H](C)CCCc3ccccc3)no2)cnn1C 19554074 IOMCDUNCCSXJMO-AWEZNQCLSA-N 352.438 3.525 0 40 FHAB COc1cc(CN2CC[C@]3(C)[C@H]2CCCCC(=O)N3C)ccc1OC(C)C 19713706 SHOCKDQIXWQUAC-IFMALSPDSA-N 374.525 3.848 0 40 FHAB COc1ccc2oc(C(=O)O[C@@H](C)C(=O)N3CCC(C)CC3)c(C)c2c1 4524862 XILODLXDABTUGE-AWEZNQCLSA-N 359.422 3.554 0 40 FHAB FC(F)(F)c1ccccc1CN1CCC(COc2ncccn2)CC1 1888863658 MAAGEDNGCBMVTE-UHFFFAOYSA-N 351.372 3.786 0 40 FHAB Cc1cc(OC[C@@]2(O)COCCN(C3CCC(C)(C)CC3)C2)ccc1F 2037946884 ODTSEUIYEPJUOQ-NRFANRHFSA-N 365.489 3.545 0 40 FHAB O=C(COc1ccc(Cl)cc1Cl)NCc1ccc(C2CC2)nc1 1565522375 GWSRYXQJDJFOAE-UHFFFAOYSA-N 351.233 3.961 0 40 FHAB COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(F)cc2)cc1 2723165 XSMBEYDZYJTRSL-UHFFFAOYSA-N 357.410 3.751 0 40 FHAB Cc1cccc(-c2nsc(SCC(=O)NCc3ccccc3)n2)c1 2917560 VVDDRXCDUFCJHI-UHFFFAOYSA-N 355.488 3.922 0 40 FHAB O[C@]1(c2ccc(Br)cc2)CN(c2ccccc2)C2=[N+]1CCCC2 2966146 HHAFHWTVFOUYQC-IBGZPJMESA-N 372.286 3.709 0 40 FHAB COc1ccc(N2C[C@](O)(c3ccc(C)cc3)[N+]3=C2CCCCC3)cc1 2974571 NCKDUONQOOVDAV-QFIPXVFZSA-N 351.470 3.654 0 40 FHAB CCN1C(=O)c2cccc3c(NC(=O)c4ccc5c(c4)OCCO5)ccc1c23 4435682 WYXKGMOPLPOZHB-UHFFFAOYSA-N 374.396 3.843 0 40 FHAB aggregator COc1ccc(-c2nnc(NC(=O)c3cccc(Cl)c3)o2)cc1OC 5372334 GTVFNNGVEPKHOE-UHFFFAOYSA-N 359.769 3.660 0 40 FHAB COc1ccc(CC(=O)NCc2cc(-c3ccc(Cl)cc3)on2)cc1 12235683 RCBTZBAIQNMUES-UHFFFAOYSA-N 356.809 3.863 0 40 FHAB Fc1cccc(CN2CCC(Oc3nccc(C(F)(F)F)n3)CC2)c1 1775975960 RRDFGJRYSYOWDQ-UHFFFAOYSA-N 355.335 3.678 0 40 FHAB O=C(c1cc(-c2cccnc2)on1)N1CCS[C@H](c2ccco2)CC1 219413428 PLEDHRSWEZRRBX-KRWDZBQOSA-N 355.419 3.650 0 40 FHAB CC(=O)N[C@H](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1ccc(C)cc1 21484224 VHESYTDOCKMJND-MGPUTAFESA-N 356.441 3.921 0 40 FHAB CC1(c2ccccc2)COC2(OC1)C(=O)Nc1ccc(Br)cc12 226762229 OLCKKECAXPLMEG-UHFFFAOYSA-N 374.234 3.559 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)N(C)[C@H](C)c2cc3ccccc3o2)c1C 40056832 JIDDRQANQSOFDB-CYBMUJFWSA-N 354.406 3.998 0 40 FHAB O=C(Nc1ccc(F)c(F)c1F)[C@H]1CC(O)=Nc2nc3ccccc3n21 40288323 YDZOWABPPYKHCD-GFCCVEGCSA-N 360.295 3.625 0 40 FHAB CCOc1ccccc1CNC(=O)c1nnn(-c2ccc(C)c(C)c2)c1C 51318221 LPORGEXBXCGLBW-UHFFFAOYSA-N 364.449 3.521 0 40 FHAB O=C(c1cncc(C(=O)N2CCCCCCC2)c1)N1CCCCCCC1 70018676 IEIFULPNXRHHAM-UHFFFAOYSA-N 357.498 3.894 0 40 FHAB CCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)cc1 852732 ZJUZLTMSVIEJMX-IBGZPJMESA-N 368.433 3.825 0 40 FHAB COc1ccc(-c2nc3cccc(C)n3c2NC[C@H]2CCCO2)cc1O 904110 ZVBLWCAXKMINSL-OAHLLOKOSA-N 353.422 3.615 0 40 FHAB CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccs2)NC(=O)N1C 1082728 KOVPEHCSQJANSI-KRWDZBQOSA-N 356.447 3.504 0 40 FHAB O=C1CN=C(c2ccccc2Cl)c2cc(Br)sc2N1 3649922 YZXLFYPNKRSMHF-UHFFFAOYSA-N 355.644 3.954 0 40 FHAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCCc1ccccn1 21439624 JWZXBQMPTYHKNP-UHFFFAOYSA-N 355.825 3.682 0 40 FHAB Cc1ccc(F)c(NC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)c1 4898430 CFTKVKPVWYWTRR-HNNXBMFYSA-N 370.424 3.913 0 40 FHAB Cc1ccc(-n2c(C)nnc2SCC(=O)N2CCCC[C@@H]2C)cc1C 6966750 CGALUBASSGWWRJ-HNNXBMFYSA-N 358.511 3.686 0 40 FHAB COc1ccc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2ccc(C)cn2)cc1 100149277 CNENXFOFFMTBJF-RTBURBONSA-N 352.478 3.518 0 40 FHAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1nc(-c3ccccc3)cs1)OC2=O 100261114 HZIUJVMXEIFRTD-OALUTQOASA-N 356.447 3.871 0 40 FHAB CCOc1ccccc1CN1CCC[C@H](C(=O)N(C)Cc2ccccc2)C1 2734718 SXMVAVVUUHFGAG-NRFANRHFSA-N 366.505 3.956 0 40 FHAB Cc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1cccc(Cl)c1 8413965 XZJUIYUSFBNWIE-UHFFFAOYSA-N 374.824 3.549 0 40 FHAB CCc1cc(C(=O)N(CC)CC(=O)Nc2ccc(OC)cc2)sc1C 33000514 VPGOPISCTDZRMI-UHFFFAOYSA-N 360.479 3.728 0 40 FHAB O=C(Nc1ccnn1Cc1cccs1)c1ccc(Br)o1 12389080 BMFIRJBLGUYNOD-UHFFFAOYSA-N 352.213 3.601 0 40 FHAB Cc1noc(C)c1S(=O)(=O)Nc1ccccc1N(C)c1ccccc1 47251562 WPMIPEBMZCDLOC-UHFFFAOYSA-N 357.435 3.860 0 40 FHAB Cc1ccn(-c2ccc(NC(=O)c3cc(-c4ccc(F)cc4)[nH]n3)cc2)n1 28240232 UQEKTJZRAAWPNN-UHFFFAOYSA-N 361.380 3.962 0 40 FHAB COc1ccc(CNC(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1 23392493 JKUCZFOUFISSNL-UHFFFAOYSA-N 368.355 3.636 0 40 FHAB CN(C)CCN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1cccs1 23247871 HYVLZDJCNKMMLW-UHFFFAOYSA-N 358.486 3.637 0 40 FHAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CCCC[C@H]1C(F)(F)F 106125174 LOUKZYJXKZQJDB-USXIJHARSA-N 354.416 3.998 0 40 FHAB COc1ccccc1NC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1cccs1 22304760 CAYBTGGUXAZWRO-INIZCTEOSA-N 373.503 3.530 0 40 FHAB c1ccc(-n2c(SCC3CCCCC3)nnc2N2CCOCC2)cc1 12539702 VRSHGEQGDLPADI-UHFFFAOYSA-N 358.511 3.776 0 40 FHAB O=c1[nH]c(N2CCc3ccccc3C2)nc2nccc(-c3ccc(F)cc3)c12 22606779 YKLDTLZYZCVANQ-UHFFFAOYSA-N 372.403 3.687 0 40 FHAB Cc1cc(C(=O)Nc2ccc(OC(F)F)c(F)c2)c2c(C)noc2n1 55545474 HMRWBXMXTMACHT-UHFFFAOYSA-N 351.284 3.832 0 40 FHAB COc1cccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]2[C@@H]2CC[C@@H]3C2)c1O 102784878 ZSRYUSRGJUITDT-VJZJXRQDSA-N 361.488 3.803 0 40 FHAB Nc1nnc(SCCCC(=O)c2ccc(Br)cc2)s1 3283410 VQCUXFIQZOSDNR-UHFFFAOYSA-N 358.286 3.638 0 40 FHAB C[C@@H](OCC(F)(F)F)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 55742798 GEBKNBSEKWMRTM-CYBMUJFWSA-N 372.387 3.609 0 40 FHAB CCOC(=O)Nc1ccc(N[C@H](C(=O)NC2CC2)c2ccccc2)cc1 56158664 RBTNJIMIZYWDBK-SFHVURJKSA-N 353.422 3.687 0 40 FHAB C[C@@H]1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)CCO1 9853882 QQJNTFGRGGXMSO-OAHLLOKOSA-N 367.474 3.521 0 40 FHAB CCc1cc(=O)oc2cc(OCC(=O)Nc3cc(F)cc(F)c3)ccc12 10199088 GTFSRQALHSRLME-UHFFFAOYSA-N 359.328 3.651 0 40 FHAB C[C@H](Nc1cncc(-n2cccn2)n1)c1cccc(OCc2ccccn2)c1 58154780 NCCRGCMWBLUDBZ-INIZCTEOSA-N 372.432 3.809 0 40 FHAB CC(C)Oc1ccc(C(=O)NCC(=O)Nc2ccc(Cl)cc2F)cc1 3369068 MOLKYQLJHJIMDW-UHFFFAOYSA-N 364.804 3.635 0 40 FHAB O=C(CNC(=O)c1ccccc1F)OCc1ccc(Cl)cc1Cl 3302607 LUYOMZCMLPMFSJ-UHFFFAOYSA-N 356.180 3.606 0 40 FHAB Cc1ccccc1O[C@H](C)C(=O)N(C)Cc1nc(-c2cccs2)no1 28188972 NFVOFDCEAUBVSC-CYBMUJFWSA-N 357.435 3.532 0 40 FHAB Cc1cc(OCC(=O)NCCc2cnn(-c3ccccc3)c2)ccc1Cl 11147484 PTRGIZHMPSVCNM-UHFFFAOYSA-N 369.852 3.572 0 40 FHAB CC1CCC(NC(=O)[C@H](NC(=O)c2ccccc2Cl)C(C)C)CC1 36688725 ANPVHKDSNDDNME-MQBCKMQZSA-N 350.890 3.789 0 40 FHAB O=C(COc1ccc2cc(Br)ccc2c1)NCC(F)(F)F 3448779 YALVIDORRRWSPD-UHFFFAOYSA-N 362.145 3.660 0 40 FHAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)/C=C/c1c(F)cccc1Cl 8303538 SIEPUIDSEBWGMZ-MDZDMXLPSA-N 364.779 3.729 0 40 FHAB COC(=O)c1ccc(CN2CCC[C@@H]2c2cc(OC)ccc2OC)cc1 12986325 PTGSNAQEPSEDNK-LJQANCHMSA-N 355.434 3.828 0 40 FHAB Cc1ccc(-c2nnc(S)n2CC(=O)N(C)[C@H](C)c2ccccc2)cc1 12919829 KDPKEBPBMBWGFB-OAHLLOKOSA-N 366.490 3.762 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)/C=C/c1ccccc1Cl 8490318 NAXDEYXRSYKXDP-VNDWYCCKSA-N 355.821 3.874 0 40 FHAB CC(=O)c1c(F)cccc1NCC1(c2ccc3c(c2)OCO3)CCOCC1 63255551 BAJREIKEZXJNBP-UHFFFAOYSA-N 371.408 3.917 0 40 FHAB COc1ccccc1N1CCN(C2CCN(C3CCCCC3)CC2)CC1 4140874 DMCVDNXNXYSMHV-UHFFFAOYSA-N 357.542 3.614 0 40 FHAB O=C1N/C(=C/c2cccc(Br)c2)C(=O)N1Cc1ccccc1 409197968 SUJLVVRMJVPZRJ-XNTDXEJSSA-N 357.207 3.542 0 40 FHAB Cc1c(C(=O)N[C@@H](C)Cn2cccn2)sc2nc(C(F)(F)F)ccc12 65552507 GZPBPQRADOUEEC-VIFPVBQESA-N 368.384 3.639 0 40 FHAB O=C(NCCc1cccs1)c1ccc(Cn2nnc3ccccc32)cc1 14120848 IKXWJBFERBMERI-UHFFFAOYSA-N 362.458 3.514 0 40 FHAB Cc1nc(-c2ccsc2)sc1C(=O)OCC(=O)N1CCCC[C@@H]1C 14125448 WZODPALYJILGJA-NSHDSACASA-N 364.492 3.738 0 40 FHAB COc1ccccc1C1=NO[C@H](COc2ccc3c(C)cc(=O)oc3c2)C1 5437443 IUBNADXYLDCCDW-HNNXBMFYSA-N 365.385 3.682 0 40 FHAB biogenic O=c1[nH]c(COc2ccc(Br)cc2Cl)nc2sccc12 6909130 IVTLGGSAAJMRFZ-UHFFFAOYSA-N 371.643 3.980 0 40 FHAB CC(=O)Nc1ccc(SCC(=O)N(CC(F)(F)F)[C@@H](C)C2CC2)cc1 7028498 QVRUTNZEIKCCEZ-NSHDSACASA-N 374.428 3.927 0 40 FHAB Cc1[nH]c(SCc2cc(=O)n3ccccc3n2)nc1Cc1ccccc1 15351730 BRSGQICKSWQGLM-UHFFFAOYSA-N 362.458 3.609 0 40 FHAB C[C@H](NC(=O)CSc1nnc2n1CCCCC2)c1cc2ccccc2o1 7280996 QMAPLMNHWPVTKG-ZDUSSCGKSA-N 370.478 3.720 0 40 FHAB C[C@@H](Sc1nc([C@@H]2CCCO2)n[nH]1)C(=O)Nc1ccc(F)cc1Cl 8940540 KBBPBFMPJCEQDI-PELKAZGASA-N 370.837 3.568 0 40 FHAB COc1cc(C(=O)NCc2ccccc2CN2CCCCC2)ccc1C 7941449 QOSLMFLOQOIDBJ-UHFFFAOYSA-N 352.478 3.920 0 40 FHAB CC[C@H](C)Oc1ccc(NC(=O)N2CCC[C@H](c3nc(C)no3)C2)cc1 69037306 YSLOICODISNDNK-ZFWWWQNUSA-N 358.442 3.967 0 40 FHAB Cc1sc(NC(=O)C(C)(C)C)nc1-c1ccc2c(c1)NC(=O)[C@H](C)O2 19796575 PFQQAZBDKCSQON-VIFPVBQESA-N 359.451 3.823 0 40 FHAB COc1cc(NC(=O)Cn2c(C)cc3ccccc32)cc(OC)c1OC 9368837 BCMRINLXKBBRHC-UHFFFAOYSA-N 354.406 3.614 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2F)c1 9495820 QPWWQMUQDYPMDI-UHFFFAOYSA-N 366.186 3.936 0 40 FHAB COc1cccc(NC(=O)NC2(CNC(=O)OC(C)(C)C)CCCC2)c1 79108916 VQKUCYKDEYMYIU-UHFFFAOYSA-N 363.458 3.654 0 40 FHAB CC(C)n1ccc2cc(C(=O)Nc3cccc(-c4nnn(C)n4)c3)ccc21 79482887 ZNDHAVCIGZANGF-UHFFFAOYSA-N 360.421 3.665 0 40 FHAB Cc1cnn(CCC(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c1 95381755 LSTDSCKMFQWYQI-INIZCTEOSA-N 366.490 3.949 0 40 FHAB C[C@@H]1CN(c2ccc(NC(=O)c3cc(-c4ccco4)on3)cc2)C[C@@H](C)O1 84713525 XHOJLOLUDRWPEW-ZIAGYGMSSA-N 367.405 3.801 0 40 FHAB CCO[C@@H]1C[C@H](NC(=O)Nc2nc(-c3ccccc3)ns2)C12CCC2 84800803 LNJXKXNAZJNBAN-UONOGXRCSA-N 358.467 3.674 0 40 FHAB Cc1nc(C(=O)N2Cc3ccccc3-c3nc(N(C)C)sc3C2)cs1 306144877 ZRFYBMDGMVKMBZ-UHFFFAOYSA-N 370.503 3.797 0 40 FHAB CCOc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 72228105 WJNXHCXHECUVQI-CVEARBPZSA-N 350.340 3.519 0 40 FHAB CCc1ccc(OCC(=O)Nc2ccccc2Cl)c(-n2cnnc2)c1 32646879 ACUZKCFXVIYXJV-UHFFFAOYSA-N 356.813 3.501 0 40 FHAB CC[C@H](NC(=O)c1cc2ccccc2o1)c1ccc(S(C)(=O)=O)cc1 219949787 YHBDSEJXNAPGDS-INIZCTEOSA-N 357.431 3.717 0 40 FHAB CCOc1ccc(-c2cc(C(=O)N3CCOC34CCCCC4)no2)cc1 35671060 ZCCDTOBJYQNMOF-UHFFFAOYSA-N 356.422 3.873 0 40 FHAB Cc1cc(C(=O)NCCc2cccc(F)c2)c2cnn(C3CCCC3)c2n1 71283055 VZQCLOKZBFZMQD-UHFFFAOYSA-N 366.440 3.966 0 40 FHAB CC1(C)O[C@H]2C[C@@H](O)C[C@@H]3CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)C[C@@H](O1)[C@@H]4[C@]32C 123373155 YOMKZERBLMKYST-ARKLHTLNSA-N 362.510 3.699 0 40 FHAB CCC[C@H](C)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(=O)O 217581437 ZFTRAZHFWLBOGS-ZDUSSCGKSA-N 368.499 3.596 0 40 FHAB CCc1nccn1-c1cccc(C2CCN(C(=O)Cc3ccccc3)CC2)n1 72378432 DEEKMXHDXMOQGJ-UHFFFAOYSA-N 374.488 3.778 0 40 FHAB Cc1ccc(NC(=O)CN2C(=O)COc3cc(Cl)ccc32)c(Cl)c1 44841751 FRFMSWOPZFCQGD-UHFFFAOYSA-N 365.216 3.666 0 40 FHAB Cc1cc(CN2CCN(C(=O)Nc3cccc(Cl)c3Cl)CC2)on1 40097554 RMLAIWCBABKYTP-UHFFFAOYSA-N 369.252 3.640 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 43739543 CKZUTSVVQBLOMO-AWEZNQCLSA-N 356.809 3.534 0 40 FHAB Cc1cccc(C2(C(=O)Nc3ccc(OCC(=O)O)cc3)CCCC2)c1 225509163 NSYQIRPGFRVRGN-UHFFFAOYSA-N 353.418 3.909 0 40 FHAB CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc2ccccc2c1 225048729 GJGLCULBCXNEGG-UHFFFAOYSA-N 369.442 3.842 0 40 FHAB COc1ccc(OCCCC(=O)NCCOc2cc(C)ccc2C)cc1 224011328 JYQQCOHBPXXSEL-UHFFFAOYSA-N 357.450 3.666 0 40 FHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(OC)c(C)c1 224939239 PBVWNMQBWTWECK-UHFFFAOYSA-N 357.435 3.777 0 40 FHAB O=C(O)c1coc(CN2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 570168946 QNVOXEFKMCOVOB-OAHLLOKOSA-N 355.312 3.570 0 40 FHAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)c1 224550436 DEFKUGWFTJQPIB-RBUKOAKNSA-N 364.474 3.904 0 40 FHAB CCN(c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1)S(=O)(=O)CC 222390111 ZMSLLMJAXLDQNN-UHFFFAOYSA-N 366.870 3.768 0 40 FHAB C[C@H](C(=O)NCCc1ccc(O)cc1)c1ccc(C[C@H]2CCCC2=O)cc1 575443394 WBMVRNRMMUSDEF-OXJNMPFZSA-N 365.473 3.766 0 40 FHAB CC(C)(C)OC(=O)NC1CCN([C@H](C(=O)O)c2cc3ccccc3o2)CC1 95635364 CMFAGZYMSMFXQA-KRWDZBQOSA-N 374.437 3.548 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1n[nH]c2c1CCCC2 96231294 VGHUOYGCGPYBPB-SFHVURJKSA-N 364.449 3.586 0 40 FHAB CS(=O)(=O)N1N=C(c2ccc(Cl)c(F)c2)C[C@@H]1c1cccs1 96118921 IQDPJDBUSSHSSS-CYBMUJFWSA-N 358.847 3.651 0 40 FHAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cccnc1O[C@@H]1CCOC1 245070514 QNCJPTFEMGPSKM-CYBMUJFWSA-N 353.205 3.808 0 40 FHAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H]4CCCC4=C4CCC[C@H]4[C@H]3C2=O)cc1 253489364 DZPGNKNDQDGSDR-WTGUMLROSA-N 365.429 3.628 0 40 FHAB Cc1ccc2cc(Cl)cc(C(=O)N3C[C@H]4CC[C@H]3[C@H](C(=O)O)C4)c2n1 659218924 GYAOGBLLLWLYKC-PEYYIBSZSA-N 358.825 3.522 0 40 FHAB CCCc1ccc(-c2ccc(NC(=O)[C@@H]3CC[C@H](C(=O)O)NC3)cc2)cc1 657221942 ZUZWBMRHFRFKHS-UYAOXDASSA-N 366.461 3.697 0 40 FHAB COc1ccc(NC(=O)[C@H](C)c2ccc(C(=O)C(C)C)cc2)c(OC)n1 669966076 SAWVKYNLVZIIIE-CYBMUJFWSA-N 356.422 3.680 0 40 FHAB O[C@]1(COc2ccc(Cl)cc2)COCCN(C2CCCCCC2)C1 585283559 RXACQCZGONYTSJ-IBGZPJMESA-N 353.890 3.505 0 40 FHAB CSc1cccc2sc(N3CCN(C(=O)NC(C)(C)C)CC3)nc12 44224905 BYBSVHZFPQLZLQ-UHFFFAOYSA-N 364.540 3.648 0 40 FHAB CC1(C)Cc2cccc(OCC(=O)NCc3cc4ccccc4[nH]3)c2O1 58900281 NMLHONSYQCCTGH-UHFFFAOYSA-N 350.418 3.577 0 40 FHAB Cc1onc(-c2cccs2)c1C(=O)N1C[C@@H](CO)Cc2ccccc21 1641264464 CVZFWMCJODDGMA-ZDUSSCGKSA-N 354.431 3.523 0 40 FHAB Cc1cnc(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cn1 5637028 CFLCMDLJHQOKJI-OAHLLOKOSA-N 361.401 3.636 0 40 FHAB O=C(Nc1ccc(Cc2ccc(NC(=O)NC3CC3)cc2)cc1)NC1CC1 5895102 OQBUJCVKNQJBNU-UHFFFAOYSA-N 364.449 3.845 0 40 FHAB CCOc1ccccc1C(=O)Nc1cc(Cl)ccc1N1CCOCC1 14708026 FFKILFSNCOPJRW-UHFFFAOYSA-N 360.841 3.828 0 40 FHAB CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccncc2)C1 19081991 CTSCWYPRJHWGPV-QUCCMNQESA-N 366.509 3.592 0 40 FHAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1ccc(Cl)cc1 19937611 HHIKUFZJEXGGSF-UHFFFAOYSA-N 374.227 3.925 0 40 FHAB CCOc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCC(=O)OC 6355034 WXIGXEUXTDYORT-WQRHYEAKSA-N 370.426 3.967 0 40 FHAB CC(C)OCCCNC(=O)Cn1c(-c2cccs2)cc2cccnc21 12148122 AGELOHXUVCYGIS-UHFFFAOYSA-N 357.479 3.696 0 40 FHAB CNC1CCC2(CC1)CN(Cc1cccc(C)n1)Cc1ccccc1O2 19236342 SKUCYIGDFQIFBV-UHFFFAOYSA-N 351.494 3.685 0 40 FHAB COC(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1 6831975 WYYSLSKMPNWJLF-ZDUSSCGKSA-N 369.446 3.597 0 40 FHAB CC(=O)N[C@@H](CC(=O)N(C)Cc1nc2ccccc2s1)c1cccs1 21401920 YHUMYJOTDBOCBX-AWEZNQCLSA-N 373.503 3.584 0 40 FHAB O=C(Nc1ccccc1Cl)N1CC(n2cc(-c3ccccc3)nn2)C1 238818853 CDEGBIGVERWZCL-UHFFFAOYSA-N 353.813 3.687 0 40 FHAB Cc1ccsc1CN1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037981031 RFIYWOWKCMAPKU-OAQYLSRUSA-N 370.518 3.845 0 40 FHAB COc1ccccc1N1C[C@](O)(c2ccc(Cl)cc2)[N+]2=C1CCCC2 2966232 VOORNZAPIFXLDN-FQEVSTJZSA-N 357.861 3.609 0 40 FHAB O=C(Nc1c(F)cccc1F)N1CCn2cccc2[C@@H]1c1cccnc1 4329828 UPBLSTRCCFDTTQ-SFHVURJKSA-N 354.360 3.798 0 40 FHAB CCCc1nnc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)s1 8769981 POTJPUSJIJURDJ-UHFFFAOYSA-N 359.480 3.612 0 40 FHAB COc1cccc(CN2Cc3c(CN4CCCCC4)nn(C(C)C)c3C2)c1 2055719435 CQUXZEOGAGYKRE-UHFFFAOYSA-N 368.525 3.974 0 40 FHAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)c1ccc(F)cc1 22906949 JIBWGGLLGWGOTJ-FQEVSTJZSA-N 364.420 3.948 0 40 FHAB O=C(Cc1ccccc1Cl)NC[C@H]1CCCN1c1nc2ccccc2o1 206771551 SZWQLKQFKPBXHG-OAHLLOKOSA-N 369.852 3.809 0 40 FHAB CCC(=O)Nc1ccc(-c2nc3ccccc3s2)c(OCC(=O)O)c1 20158151 COXDFZSTRSAJKA-UHFFFAOYSA-N 356.403 3.775 0 40 FHAB Cn1ccnc1COc1ccc(C(=O)N(Cc2cccs2)C2CC2)cc1 40153848 JNNNMSWHWDKZTD-UHFFFAOYSA-N 367.474 3.865 0 40 FHAB CC(=O)N[C@@H](CC(=O)N(C)Cc1ccc(Cl)cc1)c1cccs1 30846033 VQPBBVXLZCOOTO-HNNXBMFYSA-N 350.871 3.627 0 40 FHAB CC(=O)c1ccc(NC(=O)CSc2nnc(C)n2-c2ccccc2)cc1 648787 BMJVOBXJYRDYHE-UHFFFAOYSA-N 366.446 3.509 0 40 FHAB O=C(COc1ccc(Cl)c(Cl)c1)N1CCn2c1nc1ccccc12 29792902 RZRMEMHOKWPVMR-UHFFFAOYSA-N 362.216 3.769 0 40 FHAB Cc1cccc(-c2noc(CSc3nnc(-c4ccncc4)o3)n2)c1 32324419 WTAFFHYLWQMXKC-UHFFFAOYSA-N 351.391 3.782 0 40 FHAB COc1cccc(C(=O)OCC(=O)Nc2cccc3ccccc23)c1OC 3385376 ZVNUCCOZHPUKAQ-UHFFFAOYSA-N 365.385 3.653 0 40 FHAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)N[C@@H]1CCc2ccccc2C1 70039185 QYPFIWPJKSHAAW-XWIAVFTESA-N 366.436 3.708 0 40 FHAB COc1ccc2nc3sc(C(=O)N4CCC[C@@H](C)C4)c(N)c3cc2c1 4848777 MMKNWTCYIUAXPB-LLVKDONJSA-N 355.463 3.912 0 40 FHAB CSCC[C@@H](NC(=O)c1ccc(C)cc1)C(=O)Nc1ccccc1F 41157649 ASUYIQJSWVVAKU-QGZVFWFLSA-N 360.454 3.624 0 40 FHAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 6542320 QCXLMYBSEVMQTL-ZDUSSCGKSA-N 359.278 3.738 0 40 FHAB CCCc1n[nH]c(=S)n1NCc1cc(Cl)c(OCC)c(OC)c1 7601357 PTEDYPHWQOFNOE-UHFFFAOYSA-N 356.879 3.698 0 40 FHAB C[C@@H]1CCc2ccccc2N1CC(=O)Nc1cc2c(cc1Cl)OCCO2 10053716 OOHXUAXVNQWTKJ-CYBMUJFWSA-N 372.852 3.891 0 40 FHAB CCCOc1ccc(-c2nonc2NC(=O)COc2ccc(C)cc2)cc1 12062639 JYFMUZUIKPGGCK-UHFFFAOYSA-N 367.405 3.851 0 40 FHAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)NCc2ccc(F)c(C)c2)c1 10552278 ILGNTUDHJNLZEE-UHFFFAOYSA-N 370.453 3.680 0 40 FHAB COC(=O)[C@H](C)Sc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 8428592 CTVFKWGJUOUTPT-LBPRGKRZSA-N 374.487 3.718 0 40 FHAB CCOC(=O)c1sc2cccc(F)c2c1CN1C[C@H](C)O[C@@H](C)C1 22056567 VYRSHMJMLGCLMY-RYUDHWBXSA-N 351.443 3.826 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1-n1cnnn1 12390169 MOTQNBNHNTXYIF-UHFFFAOYSA-N 367.718 3.587 0 40 FHAB CC1(C)CC(O)CC(C)(C)N1C[C@H](O)CO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 101214107 NVKSSTCWFDFJDJ-FCQWJQKHSA-N 367.574 3.593 0 40 FHAB CCN(CC)CCN1CN(Cc2ccccc2)c2nc3ccccc3n2C1 22877282 QSSIFXZZVBWWER-UHFFFAOYSA-N 363.509 3.615 0 40 FHAB O=C(c1ccc2ccccc2n1)N1CCN(Cc2ccc(Cl)s2)CC1 23640282 WZOXKOOGNDCUJU-UHFFFAOYSA-N 371.893 3.908 0 40 FHAB O=C(C[C@H]1Oc2ccccc2NC1=O)OCc1ccccc1C(F)(F)F 24091925 PMUSPHWNZISGTR-OAHLLOKOSA-N 365.307 3.538 0 40 FHAB CC(=O)c1ccc(OCCC(=O)OCc2ccc(-n3cccn3)cc2)cc1 24204257 YIUAEMSTKGWJJH-UHFFFAOYSA-N 364.401 3.587 0 40 FHAB CCc1ccc(Cl)c(CC)c1NC(=O)NCCC(=O)N1CCCC1 43388922 ZCEMUTOFBIRDBX-UHFFFAOYSA-N 351.878 3.599 0 40 FHAB Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N[C@@H](C)c1cccs1 25071962 XVQFGZFIIIZYFI-ZDUSSCGKSA-N 356.495 3.765 0 40 FHAB CC(C)C(=O)Nc1ccc(CNC(=O)[C@@H](C)OCc2ccccc2)cc1 25148611 NTHNFUBBRMAXAF-MRXNPFEDSA-N 354.450 3.503 0 40 FHAB CC(=O)N1CCC(NC(=O)c2ccccc2Nc2cccc(C)c2C)CC1 58324769 LDVREFISWLNDJK-UHFFFAOYSA-N 365.477 3.788 0 40 FHAB CC(C)(C)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1 12692301 ABTCJUQQGRJLQH-UHFFFAOYSA-N 372.490 3.677 0 40 FHAB COc1cc(OC)c(C(=O)N2CCCSc3ccccc32)cc1OC 57501462 TYPXPSBURBCNHK-UHFFFAOYSA-N 359.447 3.855 0 40 FHAB Cc1cccc(CNC(=O)c2ccccc2SCc2nc(C)no2)c1 26887016 IKQZBDDJAHAQSS-UHFFFAOYSA-N 353.447 3.909 0 40 FHAB COCCCCN1C(=O)[C@@H](Oc2ccccc2C)[C@H]1c1cccc(OC)c1 58154820 XIUAOKDIPLFZOA-RTWAWAEBSA-N 369.461 3.761 0 40 FHAB CCc1cccc(C)c1NC(=O)CN1C(=O)COc2cc(Cl)ccc21 44841809 WADKAAYRFFZFNZ-UHFFFAOYSA-N 358.825 3.575 0 40 FHAB C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)c1ccc(-n2cncn2)cc1 10228577 VQRPVVGPYZLRMX-MORSLUCNSA-N 366.852 3.902 0 40 FHAB O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)Nc1nccs1 10236766 QFTFCRYPOFULAJ-UHFFFAOYSA-N 358.423 3.840 0 40 FHAB Cc1nnc(S[C@@H](C)C(=O)N(C)c2ccccc2)n1Cc1ccccc1 3324509 FEPCMRPGNDAUQU-HNNXBMFYSA-N 366.490 3.778 0 40 FHAB O=C(c1cc(Cl)c(O)c(Cl)c1)N1CCN(c2ccccc2F)CC1 3363987 SIYMNLZLSMBXMX-UHFFFAOYSA-N 369.223 3.801 0 40 FHAB O=C(OCCOc1ccc(Cl)cc1Cl)c1cn2ccccc2n1 3396071 SFYRRHCRHNXQPF-UHFFFAOYSA-N 351.189 3.877 0 40 FHAB CC(=O)Nc1ccc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2)s1 10628548 JCLITDXDJVJDLP-HNNXBMFYSA-N 374.462 3.519 0 40 FHAB C[C@@H](OCCCNC(=O)c1cc2ccccc2oc1=O)c1ccccc1 12748298 MJFWZIIGKSVSKF-OAHLLOKOSA-N 351.402 3.691 0 40 FHAB CCCCCOC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12 2405822 AGXOBQFDEGTPOS-UHFFFAOYSA-N 370.453 3.550 0 40 FHAB COc1ccccc1C(=O)CSc1nnc(-c2cccc(C)c2)n1C 2430246 FXJJQCAXDANANA-UHFFFAOYSA-N 353.447 3.774 0 40 FHAB Cc1ccc(NC(=O)CCc2c(C)[nH]n(-c3ccc(F)cc3)c2=O)c(F)c1 12748865 DUPFDBZINNBGTH-UHFFFAOYSA-N 371.387 3.632 0 40 FHAB CC(C)=C[C@@H]1[C@H](C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)C1(C)C 48324096 SUSRSQGHOHFWER-HSALFYBXSA-N 374.500 3.554 0 40 FHAB CC(C)c1ccc([C@H](NC(=O)CSc2nnnn2C2CC2)C(C)C)cc1 12883114 JASXQSWDFKLDLC-GOSISDBHSA-N 373.526 3.737 0 40 FHAB Cc1ccc(F)cc1NC(=O)CSc1nnc(Cc2ccccc2)o1 48513618 IAVAOSGVFZHCCY-UHFFFAOYSA-N 357.410 3.839 0 40 FHAB Cc1ccc(CNC(=O)Cn2c(S)nnc2-c2ccc(Cl)cc2)cc1 12936690 WOIJVGJSAVJUNO-UHFFFAOYSA-N 372.881 3.512 0 40 FHAB Cc1ccc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1Cl 12975158 OBZAOEHEQSJFEZ-UHFFFAOYSA-N 356.809 3.550 0 40 FHAB CCCCN1C(=O)[C@@](O)(CC(=O)c2ccc(CC)cc2)c2ccccc21 4166097 YJIUOEBCEYTBHI-JOCHJYFZSA-N 351.446 3.856 0 40 FHAB O=c1c2cc(OCc3c(F)cccc3F)ccc2nc2n1CCCCC2 13685011 HQYNLJOGPWVKKU-UHFFFAOYSA-N 356.372 3.980 0 40 FHAB O=C(Cn1nnc2ccccc21)N1CCc2sccc2[C@H]1c1ccccc1 39527637 NSANWOSWVMZRJM-OAQYLSRUSA-N 374.469 3.667 0 40 FHAB CN(C)Cc1cc(C[C@@H]2C[C@H](NC(=O)Nc3ccc(F)cc3)C2(C)C)no1 67890212 HLNXSNIEWLGAMB-ACJLOTCBSA-N 374.460 3.654 0 40 FHAB biogenic,in-vitro Cn1c(=O)n(CCC(=O)Nc2cc(Cl)ccc2Cl)c2ccccc21 14085272 IFXXIDLWFYSCEM-UHFFFAOYSA-N 364.232 3.676 0 40 FHAB C[C@@H](NC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1)c1cccs1 65511961 SYPJFWDUYMHKFM-NXEZZACHSA-N 364.521 3.795 0 40 FHAB O=C([C@@H](Sc1nc(-c2ccccc2)n[nH]1)c1ccccc1)N1CCCC1 5505152 VQESTSZRFWGCGZ-KRWDZBQOSA-N 364.474 3.928 0 40 FHAB COc1ccccc1CN(C)[C@@H](C)C(=O)N[C@H]1CCCc2ccccc21 6881547 WDBCAYZDCREMJO-JXFKEZNVSA-N 352.478 3.709 0 40 FHAB CCc1ccc(Nc2nn[nH]c2C(=O)NCc2ccccc2Cl)cc1 67283528 OUINQPKZYNDSLN-UHFFFAOYSA-N 355.829 3.694 0 40 FHAB O=c1cc(CNc2ccc(OC(F)F)c(Cl)c2)nc2sccn12 15320745 SCCHGCBVBLZXJD-UHFFFAOYSA-N 357.769 3.623 0 40 FHAB C[C@@H](Sc1ncnc2ccsc12)C(=O)Nc1ccc(Cl)cn1 8993852 RXSBBMKXNIUKRF-MRVPVSSYSA-N 350.856 3.859 0 40 FHAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(-c2nccs2)cc1 8945853 KEQBCOLGSAEXRQ-UHFFFAOYSA-N 365.414 3.747 0 40 FHAB COc1cccc(CCC(=O)N[C@@H]2CCSc3ccccc32)c1OC 7987957 CWWDRQIMAAFGFF-MRXNPFEDSA-N 357.475 3.990 0 40 FHAB C[C@@H](Nc1ccc2c(c1)OCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1 16695294 RXJOTPYMHBJUEV-SNVBAGLBSA-N 368.311 3.753 0 40 FHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Cc1c[nH]c2ccccc12 9376922 RFYYJSQMSJRAQP-UHFFFAOYSA-N 358.445 3.614 0 40 FHAB CC1(C)OC(=O)C[C@H]1C(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 96222700 HGMWWOGODPZXFL-LBPRGKRZSA-N 355.419 3.572 0 40 FHAB biogenic COc1ccc2c(c1)C=C(C(=O)Nc1ccc(NC(C)=O)cc1)C=CO2 19809964 AAJRADXRXYMTQF-UHFFFAOYSA-N 350.374 3.582 0 40 FHAB O=C(CCc1ccccc1Cl)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 9550314 RWGFMEITAVOXIB-GOSISDBHSA-N 370.836 3.566 0 40 FHAB CC(C)Oc1ccc(OCCSc2nc3ccccc3c(=O)[nH]2)cc1 9669160 VULITLHNNNPUQI-UHFFFAOYSA-N 356.447 3.881 0 40 FHAB COc1ccc(CCC(=O)NCCn2ccc3c(C)cccc32)cc1OC 72402334 NNTRYFRVLREAFB-UHFFFAOYSA-N 366.461 3.716 0 40 FHAB CCO[C@@H](CCNC(=O)c1cccc(N2CCCC2=O)c1)C1CCCC1 76094224 GPYBYSQJHFOPGD-IBGZPJMESA-N 358.482 3.529 0 40 FHAB CC(C)NC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCNCC1 77010817 JECGTJDLWZESPM-UHFFFAOYSA-N 354.469 3.930 0 40 FHAB Cc1cc(C2CCN(C(=O)Cc3ccccc3C(F)(F)F)CC2)[nH]n1 95465402 ZYAGFPGMHGOGSW-UHFFFAOYSA-N 351.372 3.686 0 40 FHAB COc1ccc(CNC(=O)Nc2ccc(OC)c(Br)c2)cc1 95958683 LHFMPHXEIMJQPJ-UHFFFAOYSA-N 365.227 3.788 0 40 FHAB BrC12C[C@H]3C[C@@H](C1)CC(Cc1nc([C@H]4CCOC4)no1)(C3)C2 95965095 SFQRXOWJLUEHCR-ZYJSHVEQSA-N 367.287 3.850 0 40 FHAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)NNc1ccccc1 408628959 YQPMLBFCJHQTAZ-UHFFFAOYSA-N 370.261 3.633 0 40 FHAB Cc1ccc2nc(NC(=O)[C@@H](C)NC(=O)OCc3ccccc3)sc2c1 408739119 XTIWESXWUGLTIA-CYBMUJFWSA-N 369.446 3.858 0 40 FHAB CCOc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCCOC 409206403 JEHCPTMBMSTZIJ-UHFFFAOYSA-N 371.502 3.844 0 40 FHAB Cc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c2c(=O)[nH]n(C)c2n1 31780470 GGELICFWGVSEPQ-UHFFFAOYSA-N 374.400 3.615 0 40 FHAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 30858280 VHVHXBHHQORLPY-CABCVRRESA-N 357.450 3.911 0 40 FHAB Cc1cccc(Cn2ccc(NC(=O)c3cc(-c4cccs4)[nH]n3)n2)c1 72265254 LCTWPYOYAZTGNJ-UHFFFAOYSA-N 363.446 3.944 0 40 FHAB COc1ccc(C)cc1NC(=O)Cn1cc(-c2ccccc2)c(N(C)C)n1 62006974 FUIXILKAIRSHQJ-UHFFFAOYSA-N 364.449 3.572 0 40 FHAB COc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3ccccn3)C2)c1 72358617 GBJJGZLSGLXKLZ-GOSISDBHSA-N 360.461 3.927 0 40 FHAB O=C(NC[C@@H]1CCCO1)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225265511 AMEIVIDCENNOCW-HNNXBMFYSA-N 355.825 3.792 0 40 FHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1CCC[C@@H](C)C1 224265964 AUMVLAWHWLKFGS-MSOLQXFVSA-N 358.526 3.571 0 40 FHAB CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2cccc(Cl)c2C)c1 225967515 BZSOYMGBAMCOQB-UHFFFAOYSA-N 366.870 3.687 0 40 FHAB CCCC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)NCC 223176895 UBNFQPRXGDFQDB-NRFANRHFSA-N 366.505 3.871 0 40 FHAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)o1 223521164 JOSAHXPDEJZTME-ZWKOTPCHSA-N 350.447 3.551 0 40 FHAB Cc1ccc(C)c(O[C@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)c1 225759605 AHNSLLQORUDKKV-LJQANCHMSA-N 367.489 3.935 0 40 FHAB Cc1c(Cl)cccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 44904568 LPZRUHHMTGDQGE-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCOC)nc1C 225904793 AFMRSXOHRJRROG-IBGZPJMESA-N 352.475 3.585 0 40 FHAB O=C(Cc1cccs1)N1CCC2(CC1)C[C@@H](Oc1ccccc1)CO2 96221835 WROJWFBFFPEVGL-QGZVFWFLSA-N 357.475 3.520 0 40 FHAB O=C(C1CC=CC1)N1CCC2(CCN(Cc3cccc(F)c3)CC2)CC1 96063003 ADRRAZBEMPJODE-UHFFFAOYSA-N 356.485 3.997 0 40 FHAB COc1ccc(CN2CCC3(CC2)CN(Cc2ccccc2)CCO3)cc1 96048953 PRUOIDDQUVORER-UHFFFAOYSA-N 366.505 3.562 0 40 FHAB COc1ccc(CN2CCOC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)cc1 96296196 XEQWLQIBGYMCBB-FQEVSTJZSA-N 367.424 3.798 0 40 FHAB biogenic,in-vitro O=C(c1n[nH]c2ccccc12)N1C[C@H]2[C@@H](Oc3ccccc3F)CC[C@H]2C1 257240865 HVMNVEOPSAJICG-JOQOYGCGSA-N 365.408 3.632 0 40 FHAB C[C@H](NC(=O)N[C@@H](C)C1CCC(F)(F)CC1)c1ccc2c(c1)OCO2 654361853 ZJNOEQKXAUGQBY-RYUDHWBXSA-N 354.397 3.990 0 40 FHAB COC1([C@H](C)NC(=O)c2cc3cc(Br)ccc3[nH]2)CCC1 665662075 XRGZOHMGCBNGDO-JTQLQIEISA-N 351.244 3.618 0 40 FHAB C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)N1CC=C(c2ccccc2)CC1 42292750 KPFLRXURBWIWON-UWJYYQICSA-N 362.473 3.804 0 40 FHAB Cc1cc(C)c(CCNC(=O)c2ccc3c(O)[nH]c(=S)nc3c2)c(C)c1 57328212 FVRSUFBQIOOSRT-UHFFFAOYSA-N 367.474 3.896 0 40 FHAB Cc1cc(NC(=O)[C@H](C)c2c(C)nn(C)c2C)cnc1N1CCCC[C@@H]1C 108175878 YFJRYRBXUGFIFN-LSDHHAIUSA-N 369.513 3.861 0 40 FHAB CCOP12(OCC)NC(=O)O[C@@]1(C(F)(F)F)c1ccccc1O2 5839401 MHGCPAWHYYAZJL-LBPRGKRZSA-N 353.233 3.820 0 40 FHAB COC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C(C)C)cc1 5862054 YQBQMNRCSMPCQF-UHFFFAOYSA-N 368.458 3.774 0 40 FHAB Cc1ccc(C)c(SCC(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1 12500207 FSPFEXCXFMQEGV-DJIMGWMZSA-N 363.523 3.880 0 40 FHAB Cc1cc(C)n2nc(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)nc2n1 15760643 SHXKANHWFLJTJX-UHFFFAOYSA-N 355.401 3.565 0 40 FHAB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2OC(F)F)c(C)o1 15818316 JGJLDTVPFOTQEJ-NSHDSACASA-N 353.321 3.682 0 40 FHAB COCCc1ncc(CN(Cc2ccncc2)Cc2ccc(C)cc2)cn1 19210187 HWPMYTRSQZNYKK-UHFFFAOYSA-N 362.477 3.571 0 40 FHAB COc1ccc(COc2cc(=O)c(OCc3ccc(OC)cc3)c[nH]2)cc1 169748334 LTGVAGVIYGIQPC-UHFFFAOYSA-N 367.401 3.550 0 40 FHAB O=C(CSc1ncccn1)Nc1ccc(OCc2ccccc2)cc1 6889870 QVDAGJPARKOWLQ-UHFFFAOYSA-N 351.431 3.786 0 40 FHAB Cc1c(Cl)ccc2sc(N3CC[C@@H](C(=O)NC(C)(C)C)C3)nc12 1889128184 CGJAFXDNUZPQSH-LLVKDONJSA-N 351.903 3.999 0 40 FHAB O=C(N[C@@H](Cn1nccn1)c1ccccc1)c1ccc(Cl)c(Cl)c1 245070517 QNGKEXGVKYYOKW-INIZCTEOSA-N 361.232 3.756 0 40 FHAB O[C@]1(c2ccc(OC(F)F)cc2)CN(c2ccccc2)C2=[N+]1CCCC2 4086824 HLFVJLZHAYSEMR-FQEVSTJZSA-N 359.396 3.548 0 40 FHAB COc1ccc(NC(=O)CSc2nccn2Cc2ccc(F)cc2)cc1 7391639 AGMGIBUAUJWOEA-UHFFFAOYSA-N 371.437 3.810 0 40 FHAB CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1SCC 10256131 DJVHEOFZZMYGHX-QGZVFWFLSA-N 354.475 3.506 0 40 FHAB Nc1nc2c(s1)[C@@H](c1cccc(OCc3cccc(F)c3)c1)CC(=O)N2 15081973 MZJXHOWAIDESPD-OAHLLOKOSA-N 369.421 3.918 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)NCc1cc(-c2ccco2)cs1 1775969006 RVVMRBMIJPERCQ-UHFFFAOYSA-N 351.424 3.934 0 40 FHAB Cc1ccc(NC(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 25540012 KXZBTCMOPABRIS-UHFFFAOYSA-N 373.884 3.877 0 40 FHAB COc1cccc(Cn2c(S)nc3c(-c4ccccc4)c[nH]c3c2=O)c1 100071637 IWJZSGBJOKRAAA-UHFFFAOYSA-N 363.442 3.737 0 40 FHAB COc1ccc(CCN(C)C(=O)c2cc(Cl)c(Cl)[nH]2)cc1OC 30866263 UZXTZYMIRQNMAM-UHFFFAOYSA-N 357.237 3.653 0 40 FHAB Nc1ccc(S[C@H]2CC(=O)N(c3c(Cl)cccc3Cl)C2=O)cc1 100286551 UBNNIAXUTCPNQA-ZDUSSCGKSA-N 367.257 4.000 0 40 FHAB Cn1cc([C@H]2CC(=O)N(CCc3c[nH]c4ccccc34)C2=O)c2ccccc21 100754690 RJNKSWLRRCDLCX-GOSISDBHSA-N 371.440 3.745 0 40 FHAB biogenic O=C(CSc1nc(Cc2cccs2)n[nH]1)N1CCCc2ccccc21 11600224 BYXYQJFJLCUDSQ-UHFFFAOYSA-N 370.503 3.529 0 40 FHAB Cc1ccc(-n2c(S)nc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1O 17074013 DUPVXFWRXZDWEH-SECBINFHSA-N 358.488 3.875 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)N1CCN(Cc2cccs2)CC1 17116133 JZQZUZVIKQMUMD-KRWDZBQOSA-N 357.523 3.597 0 40 FHAB FC(F)(F)c1ccc(C(Nc2nncs2)Nc2nncs2)cc1 1608261 YXWVPBUADBGOKX-UHFFFAOYSA-N 358.374 3.631 0 40 FHAB O=C(COC(=O)c1cc2ccccc2cc1O)NCc1ccc(Cl)cc1 2635662 NBADVUTVZKHAIS-UHFFFAOYSA-N 369.804 3.672 0 40 FHAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2cncn2-c2ccc(F)cc2)cc1 21509628 MTBXWYAVFPIXRP-AWEZNQCLSA-N 352.365 3.748 0 40 FHAB COc1ccc2c(c1)CCCN2C(=O)CN1CCSc2ccccc21 32856040 GCJRPRHJEDXEFD-UHFFFAOYSA-N 354.475 3.587 0 40 FHAB Cc1ccc(C(=O)Nc2ncc(I)cc2C)c(C)c1 6044224 CWIQLJNYCAJJES-UHFFFAOYSA-N 366.202 3.864 0 40 FHAB Cc1ccc(NC(=O)c2ccc(OC(=S)N3CCOCC3)cc2)cc1C 6215692 SCUONDKRFFYSFP-UHFFFAOYSA-N 370.474 3.552 0 40 FHAB CCOc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 7614600 CVKUUSHWNXZKCB-UHFFFAOYSA-N 358.463 3.878 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCc1cccc(C(F)(F)F)c1 32914153 ZXOMBKJEFAHSRL-UHFFFAOYSA-N 360.335 3.994 0 40 FHAB C[C@H]1CN(Cc2ccc(C(=O)N[C@@H]3CCc4ccccc43)cc2)C[C@@H](C)O1 46435319 FHEZZRCEQVNWLE-HYFFOGBASA-N 364.489 3.713 0 40 FHAB Cc1cc(Br)c(S(=O)(=O)Nc2cccnc2)cc1Cl 54363171 KKLCMUGYUSXIKZ-UHFFFAOYSA-N 361.648 3.607 0 40 FHAB COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cccc2ccccc12 2701487 BURUJRCRZDISPL-GOSISDBHSA-N 366.442 3.663 0 40 FHAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cc2Cl)c1 10330163 FRKFIAMOTFLKFT-UHFFFAOYSA-N 359.234 3.617 0 40 FHAB O=C(NCc1ccccc1Cl)C12C[C@@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 102833370 SXQXWVKAMWDDJT-XSYNCLLFSA-N 370.884 3.543 0 40 FHAB COc1ccc(S(=O)(=O)NCCSc2ccccc2)cc1C(C)C 8558455 JGEYCRBNDNYNLM-UHFFFAOYSA-N 365.520 3.889 0 40 FHAB CSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCCC4 727379 ATIGPYODLAQSFN-UHFFFAOYSA-N 368.487 3.696 0 40 FHAB O=C(O)c1cc(NS(=O)(=O)c2cccc(Cl)c2F)ccc1Cl 47318102 YEKWHMRLTZZRSC-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB Cc1cc(CNC(=O)c2ccc3oc(CCc4ccccc4)nc3c2)on1 23129056 QBESZFZHCJVUPS-UHFFFAOYSA-N 361.401 3.839 0 40 FHAB COC(=O)c1ccc2c(c1)[C@H]1C[C@](C)(O2)N(c2ccc(C)c(C)c2)C(=O)N1 101085135 PRCUOBUHITZXOE-UTKZUKDTSA-N 366.417 3.860 0 40 FHAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1cn2cccnc2n1 47536017 LJIWZCNNLYGRMY-UHFFFAOYSA-N 366.808 3.915 0 40 FHAB CCOC(=O)c1ccc(N[C@H]2SC(=O)N(c3ccc(C)cc3)C2=O)cc1 3145325 LGQMWXOKSJMVAK-INIZCTEOSA-N 370.430 3.810 0 40 FHAB Cc1cccc(OCCCNC(=O)c2ccc(N3CCCCC3=O)cc2)c1 24539306 MEYIPHKBMHDOBG-UHFFFAOYSA-N 366.461 3.711 0 40 FHAB Cc1cc(N2C[C@@H](C(=O)NCc3cccs3)CC2=O)ccc1C(C)C 3106280 PGGKJODOYIILOE-HNNXBMFYSA-N 356.491 3.849 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c1C 24695168 MKDADATUETVOMW-HNNXBMFYSA-N 365.433 3.995 0 40 FHAB CCN1CCN(c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2C)CC1 12554590 HFIAAHHMJUQZKJ-SFHVURJKSA-N 367.493 3.543 0 40 FHAB CCN(CC)[C@@H](CNC(=O)NCc1ccc(OC)cc1)c1ccccc1 24864015 MTQJEIZBOLANDM-FQEVSTJZSA-N 355.482 3.578 0 40 FHAB O=C(Nc1ccc(OC(F)F)c(F)c1)c1ccc(Cn2cccn2)cc1 55545372 KJDHWTGQIURXQU-UHFFFAOYSA-N 361.323 3.924 0 40 FHAB Cc1ccc(NC(=O)Cc2csc3nc(C)cn23)c(Br)c1 12535039 XMYAXFSAYOPVKE-UHFFFAOYSA-N 364.268 3.956 0 40 FHAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 25493496 LZICYVDUXKNANR-LIRRHRJNSA-N 370.424 3.776 0 40 FHAB COc1ccccc1C1(CNC(=O)c2c(C)oc(C)c2C)CCOCC1 56459794 GHLUWGAFGKKCLY-UHFFFAOYSA-N 357.450 3.692 0 40 FHAB Cc1nn(C[C@H](C)C(=O)Nc2ccn(Cc3ccccc3)n2)c(C)c1Cl 28230198 KIUOODMCTKTSTF-ZDUSSCGKSA-N 371.872 3.673 0 40 FHAB O=C(Nc1cc(-c2cccc(Cl)c2)nn1CCO)NC1CCCCC1 58109228 IKYRDQSMPBNCAG-UHFFFAOYSA-N 362.861 3.650 0 40 FHAB CCCOC(=O)c1ccc(NS(=O)(=O)c2cc(C)sc2C)cc1 24070573 PXJIHLOOQPZHQL-UHFFFAOYSA-N 353.465 3.733 0 40 FHAB O=C(c1ccco1)N1N=C(c2ccc[nH]2)C[C@@H]1c1ccc2nccnc2c1 44889928 YWXBFEKWIIYQAJ-GOSISDBHSA-N 357.373 3.542 0 40 FHAB C[C@@H](NC(=O)N(C)Cc1cc(Br)ccc1F)c1ccccn1 58291540 QILNUQBJSKODES-LLVKDONJSA-N 366.234 3.886 0 40 FHAB Cc1nc(CCNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cs1 27990508 PQJJYOOQVKEEFQ-GFCCVEGCSA-N 352.887 3.848 0 40 FHAB C[C@@H](Sc1nncn1C1CC1)C(=O)Nc1ccc(C(F)(F)F)cc1 10648732 WNSOYFFZPIWUKE-SECBINFHSA-N 356.373 3.751 0 40 FHAB Cc1csc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)n1 3335624 MYMLGWOLHGZOKG-UHFFFAOYSA-N 350.806 3.990 0 40 FHAB O=C(Cc1ccccc1F)Nc1ccc(-c2nnc3n2CCCCC3)cc1 3301267 FUFCOUNGOHSRIA-UHFFFAOYSA-N 364.424 3.992 0 40 FHAB COc1cc(NC(=O)c2cc3ccccc3o2)ccc1N1CCCC1=O 11262316 DUAFICJCFRTDPA-UHFFFAOYSA-N 350.374 3.821 0 40 FHAB Cc1cc2cc(NC(=O)/C=C/c3cn(Cc4ccccc4)nn3)ccc2[nH]1 48247838 DUXNCXHEACTHFR-CSKARUKUSA-N 357.417 3.768 0 40 FHAB Cc1cc(-c2cc(C(=O)N3C[C@H](C)O[C@H](C)C3)c3c(C)noc3n2)c(C)o1 12772916 UCNVHBCHKSHCIJ-TXEJJXNPSA-N 369.421 3.657 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)N2CCSCC2)c1 48374822 OZVXNKDJTSPEJV-IBGZPJMESA-N 354.475 3.618 0 40 FHAB O=C(Nc1cc(F)cc(F)c1)c1ccc(Cl)c(N2CCCC2=O)c1 12999038 NEODNQZBNQJASW-UHFFFAOYSA-N 350.752 3.997 0 40 FHAB O=C(NCC1(c2ccccc2)CCC1)Nc1cc(C(F)(F)F)c[nH]c1=O 63162235 BSKVFQOFJWAQKC-UHFFFAOYSA-N 365.355 3.637 0 40 FHAB C[C@H](OC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N1C[C@@H](C)O[C@H](C)C1 13526311 WJRSNCVRIYLUSS-ZACQAIPSSA-N 367.445 3.535 0 40 FHAB CCSc1ccccc1NC(=O)c1cccc(NS(C)(=O)=O)c1C 20488740 WRPMBTRHDKLXRU-UHFFFAOYSA-N 364.492 3.731 0 40 FHAB O=C1C[C@H](c2ccccc2)N(Cc2cnc(-c3cccs3)s2)CCN1 92075910 BWOUNEQBTJZPDM-MRXNPFEDSA-N 369.515 3.935 0 40 FHAB CC(=O)N(c1cccc(C)c1)c1nc(CSc2nncn2C)cs1 6085294 JZVCGEYAFMCYDT-UHFFFAOYSA-N 359.480 3.557 0 40 FHAB CCN(C)c1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)c1 65534502 BLRILHXDOGRVOA-HNNXBMFYSA-N 371.506 3.695 0 40 FHAB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)N1CCCCCC1 4596944 NWMVGCXHWJXCRQ-UHFFFAOYSA-N 374.485 3.914 0 40 FHAB O=C(c1ccc(N[S@@](=O)C23CC4CC(CC(C4)C2)C3)cc1)N1CCCC1 4512167 AACLEWLQJUVUPK-ARVLHORKSA-N 372.534 3.967 0 40 FHAB COC(=O)COc1ccc2oc(=O)cc(-c3cc4ccccc4o3)c2c1 4586227 HQBYCKJXEYFPPC-UHFFFAOYSA-N 350.326 3.758 0 40 FHAB biogenic C[C@@H](Sc1nc(CC2CCCC2)n[nH]1)c1nc2ccccc2c(=O)[nH]1 8708964 DLFSLIFAPKVNNF-LLVKDONJSA-N 355.467 3.627 0 40 FHAB CC(C)c1ccc(CNCCSc2nnnn2-c2ccccc2)cc1 6746689 DCZRZCLZFASGKU-UHFFFAOYSA-N 353.495 3.668 0 40 FHAB Cc1ccccc1-n1c(C)nnc1S[C@@H](C(=O)N(C)C)c1ccccc1 6980791 TWUWUAFHURNTBT-GOSISDBHSA-N 366.490 3.806 0 40 FHAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(F)c(Cl)c1 7132521 VENAWSNNBUUQAB-AWEZNQCLSA-N 354.834 3.934 0 40 FHAB C[C@H](Sc1nc2ncccn2n1)C(=O)Nc1ccc(Cl)cc1Cl 8982123 AFDZFUWFOMVIRQ-QMMMGPOBSA-N 368.249 3.550 0 40 FHAB CC[C@H](C)c1ccccc1NC(=O)Cc1csc(N2CCCC2=O)n1 8938269 ZLEBUSHZZWWLNB-ZDUSSCGKSA-N 357.479 3.965 0 40 FHAB C[C@H](C(=O)NCc1ccccc1)N(C)Cc1ccccc1Br 16388256 PJWUXVDWCIOUCH-CQSZACIVSA-N 361.283 3.586 0 40 FHAB O=C(N[C@H]1CCOc2ccccc21)c1ccc(NC(=O)c2ccco2)cc1 8061788 ZILVOCAQKAWJCD-KRWDZBQOSA-N 362.385 3.786 0 40 FHAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)NC(=N)N1C#N 96336835 QYZHDUNWEUDYQC-QGZVFWFLSA-N 365.824 3.615 0 40 FHAB C[C@H](Sc1ccccc1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 9709271 KZHBVWROEHKTSZ-ZDUSSCGKSA-N 365.462 3.794 0 40 FHAB Cc1oc(-c2cccs2)nc1C(=O)N1CCOC[C@H]1c1ccccc1 72303765 VGOHEXIIKHCCQX-HNNXBMFYSA-N 354.431 3.925 0 40 FHAB Cc1cc(S(=O)(=O)Nc2ccccc2[C@H](O)C(C)C)cnc1Cl 95444498 ABNQRXUOFYPISW-OAHLLOKOSA-N 354.859 3.534 0 40 FHAB O=C(Cc1cccc(Br)c1)NCc1cccc(-c2ncc[nH]2)c1 95465393 GAKAJOQWRRZKJB-UHFFFAOYSA-N 370.250 3.698 0 40 FHAB Cc1ccc(N[C@H](C(N)=O)c2ccc(Br)cc2F)cc1F 95962406 JLYJWPCFBGXHDK-AWEZNQCLSA-N 355.182 3.674 0 40 FHAB Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NCC[C@@H]2CCCO2)c1 95948947 SXDGAWISULEPSP-KRWDZBQOSA-N 351.446 3.833 0 40 FHAB CCc1ccc(NC(=O)Cn2c(-c3cccc(F)c3)csc2=O)cc1 95959073 AFRPAMFTVQQXTL-UHFFFAOYSA-N 356.422 3.917 0 40 FHAB Cc1cc(NC(=O)c2ccc3c(c2)COCO3)n(-c2ccc(Cl)cc2)n1 95962884 WLCZEAMKFJSZNK-UHFFFAOYSA-N 369.808 3.953 0 40 FHAB O=C(NCc1cccc(Cl)c1)C(=O)Nc1ccccc1C(F)(F)F 408709440 SZDODMIMFPXYNT-UHFFFAOYSA-N 356.731 3.614 0 40 FHAB CCCC[C@H](c1nnnn1C1CCCCC1)N1CCN(C2CCCC2)CC1 20121562 PPNAPUAUUJDADF-HXUWFJFHSA-N 374.577 3.970 0 40 FHAB CC[C@H](CC(F)(F)F)NS(=O)(=O)c1cc(Cl)c2c(c1)C[C@@H](C)O2 546177394 NUOMUAFTSQIIAC-PSASIEDQSA-N 371.808 3.673 0 40 FHAB CCCOC(=O)c1ccc(NC(=O)Cn2c(C)nc3ccccc32)cc1 32942894 QSDYSLTUMHVNCI-UHFFFAOYSA-N 351.406 3.550 0 40 FHAB CN(CC1(O)CCCCCC1)C(=O)Nc1cnc(-c2ccccc2)nc1 187112277 ORNTVLXCXRBIGQ-UHFFFAOYSA-N 354.454 3.693 0 40 FHAB O=C(c1cc[nH]n1)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359697 XEXZBANBIORCIW-CQSZACIVSA-N 367.840 3.540 0 40 FHAB c1cc(CN2CCCC[C@@H]2c2ccnc(Nc3nccs3)n2)ccn1 72377628 DMNWBERAAYXNFR-MRXNPFEDSA-N 352.467 3.799 0 40 FHAB c1cnc(Nc2nccc([C@H]3CCCN(CC4CCCCC4)C3)n2)cn1 72377849 MGMGUIHCZMYSPE-KRWDZBQOSA-N 352.486 3.770 0 40 FHAB CC(C)(C)C(=O)Nc1nn2c(-c3ccc(F)c(Cl)c3)nnc2s1 41076563 OAWLRPAEVOSMMA-UHFFFAOYSA-N 353.810 3.630 0 40 FHAB O=C(CN1CCC[C@@H]1c1cccc(Cc2ccccc2)n1)N1CCCCC1 72357622 FBIMFLIFTCLZGH-JOCHJYFZSA-N 363.505 3.822 0 40 FHAB O=c1ccn(-c2ccccc2)nc1-c1nc(-c2cccc(Cl)c2)no1 49006323 BMCHAAAJSRVATQ-UHFFFAOYSA-N 350.765 3.603 0 40 FHAB COc1cccc(NC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1 137604270 JQDRNDDHHDJUEK-UHFFFAOYSA-N 353.422 3.965 0 40 FHAB C[C@H]1CCc2sc(C(=O)Nc3cccnc3-c3cnn(C)c3)cc2C1 329421231 HOZDPWIXPMMLNE-LBPRGKRZSA-N 352.463 3.921 0 40 FHAB COc1ccc(-c2cnc(CCC(=O)N3CCC(C)CC3)o2)c(OC)c1 224870454 FYTQVBKDVRUJKU-UHFFFAOYSA-N 358.438 3.550 0 40 FHAB Cc1c(C(=O)NCCC(=O)NC2CCCCC2)oc2ccc(Cl)cc12 48290600 WKLOAHMITUAIBZ-UHFFFAOYSA-N 362.857 3.963 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 224813210 FTVOQSSQBPDURR-MRXNPFEDSA-N 372.896 3.826 0 40 FHAB Nc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 225324131 MZKHGCKHFWWPGK-UHFFFAOYSA-N 371.484 3.816 0 40 FHAB Cc1ccc(S(=O)(=O)NCC[C@@H](O)c2cccc3ccccc23)cc1C 77117681 NSJGYTNKVCYQAJ-OAQYLSRUSA-N 369.486 3.859 0 40 FHAB Cc1ccc(-c2noc(CNC(=O)CSCc3cccc(C)c3)n2)cc1 222746697 FKQHETRROFYQLA-UHFFFAOYSA-N 367.474 3.903 0 40 FHAB CCOCc1cc(C(=O)NCCc2ccc(OC)cc2)ccc1OCC 224693133 SKZNRRZTBBLUIX-UHFFFAOYSA-N 357.450 3.603 0 40 FHAB CC[C@@H](C(=O)Nc1cc(C)ccc1C)N(c1cccc(C)c1)S(C)(=O)=O 220493673 SMRPUXQGSCKOEQ-IBGZPJMESA-N 374.506 3.795 0 40 FHAB CC(=O)N1CCC[C@@H]2N(C(=O)c3[nH]c4ccc(F)cc4c3C)CCC[C@@]21C 257258083 KSIXLJCZVFGJGE-RXVVDRJESA-N 371.456 3.621 0 40 FHAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)n1 257307693 SZVPNTNVECLYTR-SFHVURJKSA-N 360.461 3.810 0 40 FHAB CC(C)Sc1ccc(CC(=O)N2CCCSC[C@H]2CN(C)C)cc1 90700129 RVBCSPFINXDYQP-QGZVFWFLSA-N 366.596 3.625 0 40 FHAB CN(Cc1nc(O)c2sccc2n1)Cc1ccc(Br)s1 14069878 XAOXAXZDTPSZRM-UHFFFAOYSA-N 370.297 3.853 0 40 FHAB CC(C)OCc1c(C(=O)Nc2ccc3c(c2)C(=O)NC3)oc2ccccc12 58747604 SFHNUCPFLXIEHC-UHFFFAOYSA-N 364.401 3.854 0 40 FHAB O=C(OCC(=O)N(C1CCCC1)C1CC1)[C@@H]1CCCC[C@@H]1C(F)(F)F 84543852 MOCMZJKPLARJOA-CABCVRRESA-N 361.404 3.832 0 40 FHAB Cc1ccc(C)c(NC(=O)CSc2nc(-c3ccccc3O)n[nH]2)c1 5489193 QSPGUGKJEVPMMM-UHFFFAOYSA-N 354.435 3.525 0 40 FHAB COc1ccc(CN(Cc2[nH]c3ccccc3c2C)C[C@@H](C)O)cc1OC 12185540 OWPZRJNRXHONRH-OAHLLOKOSA-N 368.477 3.877 0 40 FHAB COc1ccc(OC)c(C(=O)Nc2cc(OC)c(Cl)cc2OC)c1 14129041 FWFGRFWHVBDEGD-UHFFFAOYSA-N 351.786 3.627 0 40 FHAB CCc1ccc(-c2noc(CCC(=O)Nc3ccc(OC)cc3)n2)cc1 14857277 AIFUJHCDXIDEPK-UHFFFAOYSA-N 351.406 3.879 0 40 FHAB C[C@H](CCN1CCC(c2ncc3c(n2)CCN(C)C3)CC1)c1ccccc1 19455642 FANGBTARIGBBFH-GOSISDBHSA-N 364.537 3.838 0 40 FHAB Cc1nn(C)c(C)c1CCNC(=O)c1ccc(Cl)c(N2CCCCC2)c1 19714943 FDGFIQQOWRXATR-UHFFFAOYSA-N 374.916 3.653 0 40 FHAB CC(C)[C@H]1OCC2(COC(=O)c3ccc(Cl)cc3)CO[C@H](C(C)C)N12 19720072 SUONFQLXGJKWNG-IAGOWNOFSA-N 367.873 3.562 0 40 FHAB COc1ccc(CNC(=O)CCc2nc(-c3cccc(Cl)c3)no2)cc1 169890506 MAFWJNKSRTZDLZ-UHFFFAOYSA-N 371.824 3.648 0 40 FHAB Cc1ccc(-n2nc3c(c2NC(=O)CCC2CCCC2)C[S@](=O)C3)cc1 4105623 XNCJMVNVYKTWOH-AREMUKBSSA-N 371.506 3.852 0 40 FHAB Cc1ccc(F)cc1NC(=O)CSc1nncc(-c2cccs2)n1 14069895 YJAKSNUMHQQQSA-UHFFFAOYSA-N 360.439 3.778 0 40 FHAB O=C(NCCN1CCCCCC1)c1cc(Br)ccc1Cl 40433057 FBUXJMLJYSUWTO-UHFFFAOYSA-N 359.695 3.708 0 40 FHAB Cc1ccc(N2C[C@]3(CCN(C(=O)[C@@]4(C)CC=CCC4)C3)CC2=O)cc1 1565543297 IQACOMSXPLULPK-FCHUYYIVSA-N 352.478 3.697 0 40 FHAB O=S(=O)(c1ccccc1)N1CCN=C1SCc1cccc(Cl)c1 2711809 ZIADASSVEQFTPJ-UHFFFAOYSA-N 366.895 3.634 0 40 FHAB CCOC(=O)c1sc(NC(=O)c2cc(=O)c3ccccc3o2)cc1C 3244509 KMLOUOBGEZLHJA-UHFFFAOYSA-N 357.387 3.592 0 40 FHAB COc1ccc(N2C[C@@H](NC(=O)Nc3ccc(C(C)C)cc3)CC2=O)cc1 4479595 YXENHBMKOCJWJW-KRWDZBQOSA-N 367.449 3.746 0 40 FHAB Cc1ccc(N(C(=O)C2CCCCC2)[C@@H]2C=CS(=O)(=O)C2)cc1Cl 7787179 ZWOSZKMSAWBURK-MRXNPFEDSA-N 367.898 3.872 0 40 FHAB CCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(C(C)C)cc3)ccc21 17289183 UKQAPDSYXYCTFA-UHFFFAOYSA-N 372.490 3.910 0 40 FHAB CCN1Cc2cccnc2C2(CCN(C(=O)[C@H]3CC[C@H](C)CC3)CC2)C1 2055793378 VOQXYEKEVDCPKT-IYARVYRRSA-N 355.526 3.604 0 40 FHAB CC(C)n1nc(-c2ccccc2)nc1[C@H]1CC[C@@H](O)[C@H](NC2CCC2)C1 2332241468 UOVPZXUJBBKUPK-QXAKKESOSA-N 354.498 3.665 0 40 FHAB CC(=O)NCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(Cl)s2)s1 40012303 TYQCNWMLWJLJMD-MRVPVSSYSA-N 371.867 3.527 0 40 FHAB Cc1nc2cc(NC(=O)c3ccc(OCc4nccn4C)cc3)ccc2o1 40119570 SBKLKMRREFHXMU-UHFFFAOYSA-N 362.389 3.701 0 40 FHAB Cc1ccccc1C(=O)c1cccc(CN2CCC3(CC2)OCCO3)c1 2515214 ZQHGJHYXDBQQSO-UHFFFAOYSA-N 351.446 3.565 0 40 FHAB CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)c1 868893 QQALTEBLQFHMEV-UHFFFAOYSA-N 367.430 3.978 0 40 FHAB CCOc1ccc2[nH]c(=O)c(CN(C(=S)NC)C3CCCCC3)cc2c1 879369 IHTVASOMPDEVOK-UHFFFAOYSA-N 373.522 3.566 0 40 FHAB Cc1c(C(=O)N(C)CCOc2ccccc2F)[nH]c2c1C(=O)CC(C)(C)C2 32787952 LWHOBPLKMYYHAQ-UHFFFAOYSA-N 372.440 3.768 0 40 FHAB O=C(CSCc1ccc(Br)cc1)N[C@@H]1C[C@H]2CC[C@@H]1C2 4828986 NGFCCAYNRJDUOK-GZBFAFLISA-N 354.313 3.987 0 40 FHAB COc1ccc(-c2nc(CSc3nc(C)cc(N)n3)cs2)cc1OC 7049268 RKWKTEYDPDMFMQ-UHFFFAOYSA-N 374.491 3.800 0 40 FHAB Cc1ccc(-c2noc(CNC(=O)CCSCc3ccccc3)n2)cc1 7686048 HSAORDNCGSUECZ-UHFFFAOYSA-N 367.474 3.985 0 40 FHAB CN1CCC[C@@H](NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 52588691 OJLHVKSRFMJPSC-CYBMUJFWSA-N 356.297 3.762 0 40 FHAB Cc1ccc(C)c(NC(=O)CSc2cc(N3CCCCC3)ncn2)c1 21657948 QQZYLYMUTCDTCV-UHFFFAOYSA-N 356.495 3.815 0 40 FHAB CC(C)Sc1nnc2[nH]c3c(c(=O)n12)C1(CCCC1)Cc1ccccc1-3 101161309 VHANSDWQJXCAJO-UHFFFAOYSA-N 366.490 3.953 0 40 FHAB Cc1cccc(NC(=O)NCCNC(=O)c2ccc(Cl)c(Cl)c2)c1 32912709 XJCZHUOMAZXQEL-UHFFFAOYSA-N 366.248 3.853 0 40 FHAB C[C@H]1C[C@H](NC(=O)c2cc3c(=O)n4ccccc4nc3s2)CC(C)(C)C1 2722847 FTCVHWZLBAPKBJ-STQMWFEESA-N 369.490 3.854 0 40 FHAB C[C@H](NC(=S)Nc1ccc(Br)cc1Cl)[C@@H]1CCCO1 8221217 CFIJOJVWUDNHAA-UFBFGSQYSA-N 363.708 3.956 0 40 FHAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)c(C)c1 10324635 XQYCOPJKCLIAJV-HNNXBMFYSA-N 372.490 3.575 0 40 FHAB CN1CCN(Cc2ccc(C(=O)c3cccc(C(F)(F)F)c3)cc2)CC1 22027935 WPVVKVIDYNUOFE-UHFFFAOYSA-N 362.395 3.684 0 40 FHAB COCCN(C(=O)[C@@]1(C)CC1(Cl)Cl)c1nc2ccccc2s1 23042399 VTZIOKSOGTXTBQ-CQSZACIVSA-N 359.278 3.860 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCCC[C@@H]3C)c2)cc1 23043467 GZQRMOPIUXGWAX-INIZCTEOSA-N 372.490 3.810 0 40 FHAB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NC1CCCC1 901894 OQXILUIMGCQEMW-UHFFFAOYSA-N 371.384 3.906 0 40 FHAB CCN1CCC[C@H]1CNCc1cn(-c2ccccc2)nc1-c1cccnc1 23479850 AAYGRTBBEGXHTF-NRFANRHFSA-N 361.493 3.508 0 40 FHAB CC1(C)C[C@]2(CCO1)OC(=O)C[C@H]2C(=O)Nc1ccc(Cl)c(Cl)c1 1080444 NOZRZTYSEBUEFS-GTNSWQLSSA-N 372.248 3.823 0 40 FHAB CC[C@]1(c2ccccc2)NC(=O)N(CN(C)Cc2ccc(Cl)cc2)C1=O 23731333 WOAZBGPMUBUTOC-HXUWFJFHSA-N 371.868 3.587 0 40 FHAB O=c1c(-c2nnc(S)o2)cccn1Cc1ccc(Cl)cc1Cl 3041840 IBAWLTUKDVJFSU-UHFFFAOYSA-N 354.218 3.542 0 40 FHAB COC(=O)c1cc(NC(=O)Cc2ccc(-n3cccc3)cc2)c(F)cc1F 24575842 SUGGUZAEAPWTBA-UHFFFAOYSA-N 370.355 3.723 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)c1cn(-c2ccc(Cl)cc2)nn1 24841936 YCTMNXQYBOJMRS-AWEZNQCLSA-N 354.841 3.672 0 40 FHAB O=C1c2ccccc2C(=O)N1CCc1csc(-c2ccc(F)cc2)n1 1385111 LQKSHOYVHFEWBQ-UHFFFAOYSA-N 352.390 3.788 0 40 FHAB O=C(Cc1ccccc1F)N[C@H]1CCCc2c1cnn2Cc1ccccc1 24931381 CIRGBJHBXGMUSH-FQEVSTJZSA-N 363.436 3.807 0 40 FHAB COc1ccc(NC(=O)[C@H](C)Nc2ccc3oc(C)nc3c2)cc1OC 12528394 XWVUIGZJCMGPBI-NSHDSACASA-N 355.394 3.593 0 40 FHAB COc1ccc(N[C@@H](C)c2nc(C)no2)cc1NC(=O)c1cccc(F)c1 56155797 YTRPCHDZTGKYIW-NSHDSACASA-N 370.384 3.951 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2sccc2C)cc1 26311215 ICOGINNSXXIAIB-OAHLLOKOSA-N 366.552 3.938 0 40 FHAB COC(=O)Cc1c(C)c2ccc(OCc3cccc(F)c3)c(C)c2oc1=O 2094763 RYTRPEUXHWRQAG-UHFFFAOYSA-N 370.376 3.843 0 40 FHAB biogenic O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCC[C@H]1C1CCCCC1 58030011 ILWWEQBCOHBUGK-JNCPLXCYSA-N 372.553 3.890 0 40 FHAB CCOc1ccc(-c2nc(-c3cccc(NS(=O)(=O)CC)c3)no2)cc1 28304130 ASTIAKMFEYBGQX-UHFFFAOYSA-N 373.434 3.564 0 40 FHAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(N2CCOCC2)cc1 63888675 YNQUIEYVOGKRLU-UHFFFAOYSA-N 365.477 3.766 0 40 FHAB COc1ccc(OCCNC(=O)CCCc2nc3ccccc3s2)cc1 10291663 CRLGHALXDVLMKD-UHFFFAOYSA-N 370.474 3.823 0 40 FHAB CCc1ccc(Cl)c(CC)c1NC(=O)c1cccc(-n2cnnn2)c1 12684710 JIQQTLPYOKRDJI-UHFFFAOYSA-N 355.829 3.693 0 40 FHAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc3c(c2)CCN3C)cc1 58355574 DEXVIQORBGEMRK-ZDUSSCGKSA-N 369.490 3.757 0 40 FHAB Cc1ccccc1SCC(=O)Nc1cccc(N2C(=O)NC[C@@H]2C)c1 58344596 RRHQXKSZZGXDOQ-AWEZNQCLSA-N 355.463 3.644 0 40 FHAB CCOC(=O)Sc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1 2259665 XMTYPLLARCNZAV-UHFFFAOYSA-N 356.403 3.643 0 40 FHAB O=S(=O)(Nc1ccc(OCC(F)(F)F)cc1)c1ccc(F)cc1F 10516278 PRLNISXPWJVKOV-UHFFFAOYSA-N 367.295 3.707 0 40 FHAB COc1ccc(Nc2nc(NCc3ccccc3)c3nccnc3n2)cc1 36366545 OMBFKKYJKGTEPY-UHFFFAOYSA-N 358.405 3.784 0 40 FHAB Nc1cccc2c1C(=O)N(C(=O)c1sc3cc(F)ccc3c1Cl)C2=O 3328710 KWKGAUADVDHSTL-UHFFFAOYSA-N 374.780 3.712 0 40 FHAB Cc1nn2c(SCC(N)=O)cc(C(C)(C)C)nc2c1-c1ccccc1 2419650 YGUCYVXOCJESNL-UHFFFAOYSA-N 354.479 3.580 0 40 FHAB NC(=O)c1cc(SCCC(=O)Nc2cccc(F)c2)nc2ccccc12 12774728 KAEPOJKWXIKUJO-UHFFFAOYSA-N 369.421 3.594 0 40 FHAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2cccc(CC)c2)CC1=O 3473040 HFVNKSDUAIVDFN-INIZCTEOSA-N 352.434 3.639 0 40 FHAB COc1cccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)c1 408622251 BPUGOCQQWWMRDJ-UHFFFAOYSA-N 360.262 3.968 0 40 FHAB Cc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c(=O)[nH]1 12984283 ZGSQNQUZSDOYBB-SECBINFHSA-N 368.264 3.504 0 40 FHAB O=C(NCc1nnc2ccccn12)[C@@H](Sc1ccccc1)c1ccccc1 13012299 IJBPHULOFQMQRQ-FQEVSTJZSA-N 374.469 3.879 0 40 FHAB CCOC(=O)c1ccc(NC(=O)Cc2cccc(Br)c2)cc1 65669566 AIKZKYJMJLNJDL-UHFFFAOYSA-N 362.223 3.807 0 40 FHAB CCc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(OC)cc2)cc1 3893578 BXZZXTQPIGOMEJ-SFHVURJKSA-N 363.504 3.694 0 40 FHAB Cc1ccc(-c2cc3c(SCC(=O)NC4CCCC4)nccn3n2)cc1 17051501 ABMRHMUDUINYHX-UHFFFAOYSA-N 366.490 3.856 0 40 FHAB CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@H](c2ccco2)n2ncnc2N1 8610071 BTNRKAVSYPLYEH-INIZCTEOSA-N 369.812 3.761 0 40 FHAB Cc1c(Cl)cccc1NC(=O)CSc1nc2sccc2c(=O)[nH]1 8456438 KUJMKQQJGVIFJF-UHFFFAOYSA-N 365.867 3.677 0 40 FHAB CC(=O)Nc1ccc(NC(=O)Cc2ccccc2F)c(C(F)(F)F)c1 14095040 KQHIWJAHNOOXBL-UHFFFAOYSA-N 354.303 3.984 0 40 FHAB Cc1ccc(C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)s1 14183793 XWIDXDNLWLGLFU-UHFFFAOYSA-N 370.430 3.527 0 40 FHAB COc1ccc(OC)c2c(O)c(CN3CCc4ccccc4C3)c(C)nc12 8571834 KWRZATYOABWBTO-UHFFFAOYSA-N 364.445 3.824 0 40 FHAB COCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(C)cc1 8550481 UTGGKDBPSZKTLJ-LJQANCHMSA-N 363.413 3.601 0 40 FHAB CN(Cc1cccc(Cl)c1)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 6618116 BJBBTSQJLONQIG-UHFFFAOYSA-N 359.882 3.759 0 40 FHAB COc1ccc2c(C)c(CC(=O)NCc3ccc(C)cc3)c(=O)oc2c1C 4742772 UTUSDORBFIHDOX-UHFFFAOYSA-N 365.429 3.586 0 40 FHAB COc1cccc(CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c1 6787946 ZPDOQWQOMZRHBA-UHFFFAOYSA-N 357.431 3.679 0 40 FHAB CN(C)c1ccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1 5711280 DAWLNASOEOQTIE-UHFFFAOYSA-N 367.232 3.855 0 40 FHAB COC(=O)c1cccc(NC(=O)c2sc(-c3ccccn3)nc2C)c1 8727438 ALPNFJJNXPMQOR-UHFFFAOYSA-N 353.403 3.552 0 40 FHAB Cc1cccc(COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1 5971120 LCXRLYIZURPGKZ-UHFFFAOYSA-N 352.434 3.982 0 40 FHAB Cn1cccc1[C@H]1Nc2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 7088286 RTGFGNFYLSSRIC-FQEVSTJZSA-N 361.401 3.521 0 40 FHAB Cc1ccc(C2=CCN(Cc3cc(=O)n4c(C)csc4n3)CC2)cc1 8744716 MMUBDGPGNMNDEV-UHFFFAOYSA-N 351.475 3.662 0 40 FHAB O=C(NCCOc1ccc2ccccc2c1)c1ccc(Cn2ccnc2)cc1 117124562 VUPPTCPJLYRKJL-UHFFFAOYSA-N 371.440 3.893 0 40 FHAB CC(C)[C@@H](OC[C@H]1CCCO1)C(=O)NCc1ccc(C(F)(F)F)cc1 67824955 SYDVHNXKQMGHNL-HZPDHXFCSA-N 359.388 3.542 0 40 FHAB C[C@H]1CCc2c(sc3nc(-c4cccnc4)nc(SCCO)c23)C1 7780766 ZDOHWLZSPMHQPT-NSHDSACASA-N 357.504 3.963 0 40 FHAB CC(=O)Nc1cccc(NC(=O)Cc2csc(-c3ccccc3)n2)c1 7778564 HSVRYKRGENJANT-UHFFFAOYSA-N 351.431 3.950 0 40 FHAB COc1ccc2cc(NC(=O)c3cc(-c4ccccc4OC)[nH]n3)cnc2c1 95475072 XIKLQXGVEKSJRQ-UHFFFAOYSA-N 374.400 3.894 0 40 FHAB CC[C@H](C[C@H](C)CO)NC(=O)CCCOc1ccccc1Br 95443443 WSBPBKPSJVYFQQ-UONOGXRCSA-N 372.303 3.521 0 40 FHAB O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)Nc1cccnn1 95966995 DUKJRSFEUPAKER-ZENHMJIWSA-N 356.429 3.895 0 40 FHAB CCCOc1c(Cl)cc(CNc2cccnc2-n2cncn2)cc1OC 95943642 MZSOYQGBCCQNIP-UHFFFAOYSA-N 373.844 3.725 0 40 FHAB C[C@H](OC(=O)c1ccnc(C2CC2)n1)c1c(F)cccc1-n1cccn1 95970888 KEVGIYXKLVENSK-LBPRGKRZSA-N 352.369 3.597 0 40 FHAB Cc1ccc(-n2cccc2/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1 409248828 RHUMKPPZKRUIGH-XSFVSMFZSA-N 357.413 3.879 0 40 FHAB COc1ccc(C)cc1-n1ccc(C(=O)Nc2cnn(-c3ccccc3)c2)n1 89626505 SMMYIEPNQWNRMV-UHFFFAOYSA-N 373.416 3.627 0 40 FHAB Cc1ccc(NC(=O)c2ccc(CSc3n[nH]c(N)n3)cc2)cc1Cl 32117960 SUKQIUDVOIVKAY-UHFFFAOYSA-N 373.869 3.893 0 40 FHAB C[C@H]1C[C@@H](NC(=O)N2CCC(Cc3cccc(F)c3F)CC2)c2nccn21 516850307 HZBHPIWQVUXUNT-SUMWQHHRSA-N 374.435 3.831 0 40 FHAB CCOc1cc(CNC(=O)c2ccc(OCC)c(OCC)c2)ccc1OC 72331521 USASFRNKLFOGLT-UHFFFAOYSA-N 373.449 3.821 0 40 FHAB COc1ccc([C@]2(CCNC3CCN(C)CC3)CCOC(C)(C)C2)cc1 31819149 YFWZPSFRPAVUEZ-JOCHJYFZSA-N 360.542 3.596 0 40 FHAB CCCCc1nc2ccc(NC(=O)C[C@H](C)NC(=O)C3CCCC3)cc2[nH]1 532038899 MCFIXWPFVSHJBA-AWEZNQCLSA-N 370.497 3.929 0 40 FHAB Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 34870871 HSQKEOJSRHYZKY-BQFCYCMXSA-N 359.466 3.585 0 40 FHAB CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3C)n[nH]2)cc1 33880117 PLXJHMIHRIGTBR-UHFFFAOYSA-N 368.462 3.910 0 40 FHAB COC(=O)C1(c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1 79033438 BZEARXQYZYGUSO-UHFFFAOYSA-N 353.846 3.782 0 40 FHAB Cn1cc(CN2CCOC[C@H]2c2nc(-c3cccnc3)c[nH]2)c2ccccc21 72322053 QTJYDGFJWDTGPJ-NRFANRHFSA-N 373.460 3.537 0 40 FHAB biogenic,in-vitro O=C(NC[C@@H]1CCCO1)c1ccc(OCCSc2ccccc2)cc1 44886143 BCZUXXGVIGDHKS-SFHVURJKSA-N 357.475 3.767 0 40 FHAB Cc1ccc(OCCNC(=O)C2(c3ccccc3)CCOCC2)cc1C 225178800 DCPJJMWBRNXPRL-UHFFFAOYSA-N 353.462 3.547 0 40 FHAB CCOc1cc(CNC(=O)NCc2ccccc2)ccc1OC(F)F 48355257 JPQPBRDFOLZRDN-UHFFFAOYSA-N 350.365 3.686 0 40 FHAB CNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 223416457 RSVALBKXZUKXCC-SFHVURJKSA-N 358.869 3.812 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCOc1ccc(C)cc1C 224464545 QTPDFLVFBRTHRQ-IBGZPJMESA-N 357.450 3.665 0 40 FHAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1 225458448 XFEXSZPETQAEGZ-RXVVDRJESA-N 366.505 3.951 0 40 FHAB COc1ccc2c(c1)[C@H](NC(=S)Nc1cccc(C)n1)CC(C)(C)O2 225684668 WDGSKVGUIGOGHU-OAHLLOKOSA-N 357.479 3.987 0 40 FHAB CCOC(=O)C1(c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)CC1 225927343 ZSHRLYSSFVUSTI-UHFFFAOYSA-N 373.474 3.699 0 40 FHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)NC3CCCCCC3)ccc21 225706800 XEXNSSMKGYXADG-UHFFFAOYSA-N 368.524 3.645 0 40 FHAB COc1ccc(CCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1C 222738088 XEFVOWKLDHZJMS-HNNXBMFYSA-N 355.434 3.585 0 40 FHAB COc1cc(C)c(C)cc1S(=O)(=O)Oc1cc(C)nc2ccccc12 41097162 KRMOMKFBHYJWSK-UHFFFAOYSA-N 357.431 3.936 0 40 FHAB C[C@H]1C[C@@H](C)CN(c2cc(Cl)nc(NC(=S)NC3CCCC3)n2)C1 226007300 FKNTYDJNRVPBLC-TXEJJXNPSA-N 367.950 3.841 0 40 FHAB CCOC(=O)c1ccccc1C(=O)c1ccccc1CN1CCSCC1 85651639 FZRRAEWMJKIMPS-UHFFFAOYSA-N 369.486 3.643 0 40 FHAB CC(C)NC(=O)C[C@@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21 96053347 OTJWOBDADNNHLD-GOSISDBHSA-N 356.510 3.712 0 40 FHAB Cc1nccn1-c1ccc([C@@H](C)Nc2cnn([C@H]3CCOC3)c2C)cc1 579795361 HUYLGOMUUFUJMG-KUHUBIRLSA-N 351.454 3.820 0 40 FHAB Cc1cccc(N(CC(=O)N2CCCCC2)C(=O)c2c(C)coc2C)c1 585083722 AZWVERVZAMNUDU-UHFFFAOYSA-N 354.450 3.864 0 40 FHAB COc1ccc([C@H]2C[C@@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)c(OC)c1 257232524 GLFTXOOFOZRELW-SIEGYJKXSA-N 361.482 3.865 0 40 FHAB CCOCC[C@@H]1CN(C(=O)c2cc3ccccc3s2)Cc2ccnn21 253380739 BNUHPVYGAGJXAT-MRXNPFEDSA-N 355.463 3.722 0 40 FHAB CC(C)Cc1c[nH]c(C(=O)N2CC[C@H](NC(=O)C3(C)CCC3)C(C)(C)C2)c1 1775996792 IVCAAPNDORWKBG-SFHVURJKSA-N 373.541 3.760 0 40 FHAB CCOC(=O)c1c(NC(=O)c2cccc(NC(C)=O)c2)sc2c1CCC2 1775965264 YLOJAAOCHRMTPJ-UHFFFAOYSA-N 372.446 3.624 0 40 FHAB Cn1nc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1-c1ccco1 90607000 GXKWGOSUWRYIEJ-UHFFFAOYSA-N 373.840 3.807 0 40 FHAB O=C(c1ccc2c(c1)OCO2)N(CCc1cccs1)Cc1ccoc1 90612321 VVWFOYXJSQXGJV-UHFFFAOYSA-N 355.415 3.955 0 40 FHAB Cc1cc(C)c(CC(=O)Nc2nc3ccccc3n2-c2ccccc2)c(O)n1 1143259163 GYTSJPYODSSESC-UHFFFAOYSA-N 372.428 3.924 0 40 FHAB CCOc1ccncc1S(=O)(=O)N1CCCCC[C@@H]1c1ccccc1 568719833 GFOJRGKHENBZSF-QGZVFWFLSA-N 360.479 3.786 0 40 FHAB COc1ccnc(CNC(=O)NC[C@@H]2CCC[C@H]2c2ccccc2)c1F 661256839 WKKIQHFZHNZBCI-HOTGVXAUSA-N 357.429 3.612 0 40 FHAB O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1ccc2nncn2c1 58224813 LEQAGPXMLUVXKR-UHFFFAOYSA-N 360.402 3.586 0 40 FHAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccnc1)N(c1ccccn1)C3=O 5205747 MPSHEEGCLCCUIJ-IBGZPJMESA-N 369.380 3.641 0 40 FHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc(C)c2C)ccc1C 5443709 IUGZBMRALTVYJL-UHFFFAOYSA-N 374.506 3.895 0 40 FHAB COc1ccc(CNC(=O)CSCc2nc3ccccc3s2)cc1 11102017 RCYLIZJEJJTKMO-UHFFFAOYSA-N 358.488 3.855 0 40 FHAB CN(C)Cc1ccc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)cc1 12344918 IKWCRPMLZNRWKY-AIZNXBIQSA-N 368.496 3.902 0 40 FHAB O=C(CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1)Nc1cccc(F)c1 12872946 SCUWZPTVCMPBIB-RMKNXTFCSA-N 372.400 3.984 0 40 FHAB CC(C)(C)C(=O)NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1 13632632 QWLSMFKCJIGKAH-UHFFFAOYSA-N 355.463 3.798 0 40 FHAB Cc1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 13991540 OHBATPXROBAEHG-UHFFFAOYSA-N 374.440 3.943 0 40 FHAB COc1ccc(CNC(=S)Nc2cccc(Br)c2)cc1 16941920 FTOQJNMLCVQDPR-UHFFFAOYSA-N 351.269 3.944 0 40 FHAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Cn4cncn4)c3)no2)cc1 19715043 WUOXCYIUJKAWLW-UHFFFAOYSA-N 359.389 3.542 0 40 FHAB O=C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C1CC1 10900250 HTBGBTHSYCBMSG-UHFFFAOYSA-N 352.478 3.868 0 40 FHAB CSc1nc(C2CC2)cc(N2CCN(Cc3ncoc3C(C)C)CC2)n1 1888873386 XZPISZFSRHURFL-UHFFFAOYSA-N 373.526 3.510 0 40 FHAB CC(C)(C)c1ccc(/C=C/C(=O)N[C@H](O)C(Cl)(Cl)Cl)cc1 27529779 ZAHKKCVAGIFYLL-YSKGHYERSA-N 350.673 3.802 0 40 FHAB CO[C@H]1CCN(c2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)C1 206766799 KTVDVNZYTAEPFN-IBGZPJMESA-N 358.869 3.538 0 40 FHAB CCOc1cc(S(=O)(=O)Oc2ccccc2)ccc1Br 2298245816 WEBMPCZTEWTZAE-UHFFFAOYSA-N 357.225 3.616 0 40 FHAB Cc1ccc(C(C)C)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1 802666 WYKFFZQRMCMHMK-UHFFFAOYSA-N 352.544 3.706 0 40 FHAB CCN(CC)CCn1c(=N)n(CCOc2cccc(C)c2)c2ccccc21 20069478 SOXMEMQOMZSBGL-UHFFFAOYSA-N 366.509 3.651 0 40 FHAB C[C@H](NC(=O)c1ccco1)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 40122597 GUEFKJXSMPCTOQ-XJKSGUPXSA-N 360.429 3.831 0 40 FHAB COc1ccc2nc(C)c(C(=O)NC[C@H](C)N(C)c3ccccc3)cc2c1 40108896 PCGIHKYFEMAVOD-HNNXBMFYSA-N 363.461 3.807 0 40 FHAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cncc(Br)c1 40106908 FONWSMRBROONAU-UHFFFAOYSA-N 374.238 3.753 0 40 FHAB Cc1ccc(NC(=O)CCSc2nnnn2-c2ccccc2Cl)cc1 11690626 RZUVHXIFYOQZFQ-UHFFFAOYSA-N 373.869 3.745 0 40 FHAB CCN(CC)C(=O)c1ccc2nc(NC(=O)c3ccc(N)cc3)sc2c1 912049 BYGORBBIFOQIMS-UHFFFAOYSA-N 368.462 3.613 0 40 FHAB Cn1c(SCC(=O)C23CC4CC(CC(C4)C2)C3)nnc1-c1cccnc1 20861612 WMUPUIOHQWHPRP-UHFFFAOYSA-N 368.506 3.755 0 40 FHAB O=C(NC1CCN(C(=O)c2csc3c2CCCC3)CC1)c1ccccc1 29776512 MKKOJHQDIMEECV-UHFFFAOYSA-N 368.502 3.662 0 40 FHAB COc1cccc([C@H]2C=C(c3ccc(C)c(C)c3)Nc3ncnn32)c1OC 102047926 LEVJZMSXRQANET-GOSISDBHSA-N 362.433 3.968 0 40 FHAB COC(=O)c1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(c2ccc(C)c(C)c2)C(=O)N1 4852872 PRCUOBUHITZXOE-UWJYYQICSA-N 366.417 3.860 0 40 FHAB COc1cc([C@H]2NC(=O)c3c(sc4ccccc34)N2)cc(OC)c1OC 6490542 TZDRZAOXGMEUBT-KRWDZBQOSA-N 370.430 3.781 0 40 FHAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccccc1 6507703 JFQRDISGJPSLDH-GOSISDBHSA-N 352.459 3.960 0 40 FHAB CC(=O)N[C@H]1C(=O)N(CCOc2ccc(Cl)cc2)c2c(C)cc(C)cc21 8047819 VUGONEFBLNQXJS-GOSISDBHSA-N 372.852 3.560 0 40 FHAB COc1ccc(CCC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1 8959154 JPNVJTNRZRMSQK-UHFFFAOYSA-N 368.433 3.624 0 40 FHAB C[C@@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)N4CCCC[C@H]4C)cc3c2C1 32945342 GCGHACWXFHXKGM-HUUCEWRRSA-N 368.477 3.851 0 40 FHAB C[C@H]1CN(CC(=O)Nc2ccccc2Sc2ccccc2)C[C@H](C)O1 21821880 GSSMNTZIKBDZRG-HOTGVXAUSA-N 356.491 3.886 0 40 FHAB O=C(Cn1c(=O)oc2ccccc21)N[C@@H](c1ccccc1)c1cccs1 8987161 UDUFVXSLPDWEKU-IBGZPJMESA-N 364.426 3.562 0 40 FHAB O=C(O)CCc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 8104968 AHIWSKGZXJNNOG-UHFFFAOYSA-N 355.415 3.658 0 40 FHAB COc1ccc(C(=O)N2CCC(c3nc4cc(F)ccc4[nH]3)CC2)cc1 12128476 UJLNSQGUTFGEAG-UHFFFAOYSA-N 353.397 3.730 0 40 FHAB Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Br)s2)cc1 13938180 DJVJUICKOFLRNW-SNVBAGLBSA-N 360.298 3.859 0 40 FHAB O=C(Cc1nc2ccc(F)cc2c(=O)[nH]1)Nc1ccc(Cl)cc1Cl 53856052 KAWZHNJOGHKTLO-UHFFFAOYSA-N 366.179 3.550 0 40 FHAB CCOc1ccc(C(=O)NCc2cccc(NC(=O)N3CCCC3)c2)cc1 54348926 YNGPRZFYYCAXGI-UHFFFAOYSA-N 367.449 3.643 0 40 FHAB Cc1cc(C)c(NC(=O)CNC(=O)C2(c3ccccc3)CCC2)c(C)c1 25043845 DEQKSHHUHQRXSM-UHFFFAOYSA-N 350.462 3.788 0 40 FHAB O=C(Cc1cccc2ccccc12)Nc1ccn(CCc2ccccn2)n1 51417594 ZVEMMZWLQBAJGJ-UHFFFAOYSA-N 356.429 3.855 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@H](c1cccs1)N(C)C 23865543 ATNZZMDJACAXLK-QGZVFWFLSA-N 368.506 3.583 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c1C 23917704 RNWXPCNNZLXNLH-IBGZPJMESA-N 370.449 3.732 0 40 FHAB CCCCc1nc(C)c(C(=O)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)s1 43037284 RAGWUMXFQQCXMZ-LLVKDONJSA-N 373.478 3.616 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)c1 105513853 CPDODXNNVQVZNP-LLVKDONJSA-N 363.797 3.541 0 40 FHAB CSc1cc(C(=O)O)ccc1NS(=O)(=O)/C=C/c1ccc(C)cc1 55577604 QKBPUJRAOACWIB-MDZDMXLPSA-N 363.460 3.828 0 40 FHAB O=C(/C=C/c1ccc(C(=O)Nc2nccs2)cc1)Nc1nccs1 1452999 IDFXJVNHJZMOAO-ZZXKWVIFSA-N 356.432 3.504 0 40 FHAB C[C@H](C(=O)NC1CCCCC1)N1CCC(CCc2ccc(O)cc2)CC1 26114164 NMYSKEHYZXNNRD-QGZVFWFLSA-N 358.526 3.874 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2cccs2)cc1 26310922 KDTQVNREAUIFNY-AWEZNQCLSA-N 352.525 3.629 0 40 FHAB Cc1cccc(NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 10356923 SFBIWJCYFHRITH-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB O=C(Nc1nncs1)c1sc(-n2cccc2)nc1-c1ccccc1 61719308 MCTVHJDQJAFPNN-UHFFFAOYSA-N 353.432 3.705 0 40 FHAB CCOc1ccc2c(c1)CN(C(=O)C1(c3ccccc3)CCOCC1)CC2 58288467 UGCABSQLIFEYDU-UHFFFAOYSA-N 365.473 3.718 0 40 FHAB Cc1ccc(C)c(-n2nc(C)cc2NC(=O)CSc2ccccn2)c1 10555313 CWGLRTXLNFHNOE-UHFFFAOYSA-N 352.463 3.923 0 40 FHAB Cc1ccc2oc(-c3ccc4c(c3)OCO4)c/c(=N\[C@@H](C)C(=O)O)c2c1 3372793 ZDGKGHXJNNYCJO-DRPFOCBESA-N 351.358 3.511 0 40 FHAB CCOc1ccc(CCC2CCN(C(=O)c3cccnc3O)CC2)cc1 10998749 NVYZFSWWNUUTMC-UHFFFAOYSA-N 354.450 3.671 0 40 FHAB COc1ccc([C@H]2CCCN2CC(=O)N(C)c2ccccc2)c(OC)c1 12820407 IRCYEUUQDDSTFZ-LJQANCHMSA-N 354.450 3.504 0 40 FHAB CC(C)c1ccccc1OC[C@H](O)CNCCCN(C)c1ccccc1 3441462 SXDSPCUKFCRDRT-HXUWFJFHSA-N 356.510 3.666 0 40 FHAB C[C@@H](Sc1nncn1C)C(=O)N(Cc1ccccc1)Cc1ccccc1 3417201 YZJFEMFMTPRLKF-MRXNPFEDSA-N 366.490 3.525 0 40 FHAB CC(C)C(=O)Nc1ccc(NC(=O)C[C@](C)(C(=O)O)c2ccccc2)cc1 12940229 ZZGIBQGQUFTQJW-NRFANRHFSA-N 368.433 3.652 0 40 FHAB CN(C(=O)c1ccc(OCC(F)(F)F)nc1)c1nc2ccccc2s1 12923343 OPOYXSXEKUZGFV-UHFFFAOYSA-N 367.352 3.909 0 40 FHAB Cc1nc(C(C)(C)C)nc2sc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c(C)c12 12999933 YLJMCQXWAGHSNS-QWRGUYRKSA-N 361.511 3.855 0 40 FHAB Cc1cc(Br)c(O)c(C(=O)Nc2nnc(C(C)C)s2)c1 48733285 WXIKEKUYBVMORI-UHFFFAOYSA-N 356.245 3.690 0 40 FHAB Cc1ccc(S(=O)(=O)n2ccc3cc(Br)ccc32)cc1 116405099 CMQRWXUQAKCCAK-UHFFFAOYSA-N 350.237 3.949 0 40 FHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1 8329022 YKEZFHCRKQCMBP-LBPRGKRZSA-N 371.412 3.576 0 40 FHAB CC/C=C/C(=O)OC[C@@H](O)[C@H](C)N(Cc1ccccc1)Cc1ccccc1 26897350 SNWDNTBUZZDBJP-HRUPEFEASA-N 367.489 3.948 0 40 FHAB CCc1nc2cc3c(cc2n1CC(=O)Nc1ccc(C)cc1C)OCCO3 64795124 GQWOONDORIUOBN-UHFFFAOYSA-N 365.433 3.625 0 40 FHAB O=C(COC(=O)c1ccc(CO)cc1)c1ccc2c(c1)-c1ccccc1C2 5107213 FPZGJIVENBBGLW-UHFFFAOYSA-N 358.393 3.790 0 40 FHAB COc1cc([C@@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)ccc1O 4554001 ICDMGXTXVZYCDH-QGZVFWFLSA-N 373.478 3.658 0 40 FHAB Cc1cc(C)n(-c2nc(SCC(=O)O)c3c4c(sc3n2)CCCC4)n1 5556957 LWZDWWHTSPBFFN-UHFFFAOYSA-N 374.491 3.549 0 40 FHAB O=c1c(Cl)c(N2CCc3ccccc3C2)cnn1Cc1ccccc1 6661927 CHYTVGLFJQKIPP-UHFFFAOYSA-N 351.837 3.508 0 40 FHAB CN(Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)Cc1ccccc1Cl 6618133 DWZOAWDOZKJXJZ-UHFFFAOYSA-N 359.882 3.759 0 40 FHAB COc1ccc(CCNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1OC 20492543 PYGHZNZUWXMHEP-QGZVFWFLSA-N 371.477 3.755 0 40 FHAB Cc1nn(-c2cccc(Cl)c2)nc1C(=O)Nc1ccc2c(c1)CCC2 6881646 DGEKVVZZCLFBOV-UHFFFAOYSA-N 352.825 3.970 0 40 FHAB COc1ccc(-c2cc(Cn3cnc4sc(C)c(C)c4c3=O)on2)cc1 8734477 CWMAHHRLWKLUKS-UHFFFAOYSA-N 367.430 3.787 0 40 FHAB CCOc1ccccc1N1CCN(C(=O)c2cc3ccccc3o2)CC1 4901453 GLAPYDZSCRTGOP-UHFFFAOYSA-N 350.418 3.794 0 40 FHAB C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(N(C)C)cc1 8707860 DYAPGRPPMBOKFU-ZDUSSCGKSA-N 367.478 3.657 0 40 FHAB COc1ccccc1-c1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 7109611 MSIWSZCYYNUYKA-UHFFFAOYSA-N 360.460 3.857 0 40 FHAB CCc1nnc(NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)s1 7347165 ZUQNLSZYKZFZEQ-UHFFFAOYSA-N 361.858 3.559 0 40 FHAB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ccc(Cl)cc1 7577600 WFCNEIGTOBTJSN-QMMMGPOBSA-N 354.888 3.885 0 40 FHAB CSc1ccc(NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)cc1 16176074 JRFXMFBJDAXHOH-UHFFFAOYSA-N 365.414 3.503 0 40 FHAB Cc1ccc(C)c(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)[nH]n2)c1 71328461 LUUDOUNGSNSUIW-UHFFFAOYSA-N 360.461 3.656 0 40 FHAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc(-n2cccc2)cc1 9378874 IZMQKXGAITUDHI-UHFFFAOYSA-N 359.429 3.534 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(CN3CCCCC3)cc2)c1C 9482565 FAIGRXYRBBDSHC-UHFFFAOYSA-N 367.493 3.750 0 40 FHAB COc1ccc(-c2nnc(-c3cnc4onc(C5CC5)c4c3)o2)c(OC)c1 71890744 ABGXPRATQZFXHW-UHFFFAOYSA-N 364.361 3.834 0 40 FHAB O=C(COc1ccc(Cl)cc1)NCCc1csc(-c2cccnc2)n1 19942447 WOOQIPIGLPYWHY-UHFFFAOYSA-N 373.865 3.596 0 40 FHAB Cc1noc(CCCNC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1 72092398 ARQCUDSZLOXGQC-CQSZACIVSA-N 361.511 3.953 0 40 FHAB FC(F)(F)c1nc(N2CCC(Cc3ccccc3)CC2)c2nc[nH]c2n1 97139621 GHVYEACXKWLSPU-UHFFFAOYSA-N 361.371 3.831 0 40 FHAB CCOC(=O)c1cnc(/C=C/c2ccc(SC)c(OC)c2)c(C(=O)O)c1 95455298 LTKMXGTVGCIVTP-FNORWQNLSA-N 373.430 3.857 0 40 FHAB Cc1ccccc1-n1cccc1/C=c1\sc2nc3ccccc3n2c1=O 408961086 ABBNGJNDVMFYBM-UYRXBGFRSA-N 357.438 3.556 0 40 FHAB CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 95998628 OGGKXWIXDQIEAU-INIZCTEOSA-N 368.481 3.685 0 40 FHAB CN(C)[C@@H](CN[C@@H]1CC2(CCCCC2)Oc2ccccc21)c1cnn(C)c1 95973661 LAWVWEDFYSLMIW-UXHICEINSA-N 368.525 3.839 0 40 FHAB O=C1CCCc2cc(C(=O)NCc3cc(-c4ccccc4)no3)ccc2N1 89851138 YFRQGBZRUPMZBZ-UHFFFAOYSA-N 361.401 3.546 0 40 FHAB CCCCc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC)cc2)cc1 69526415 TZGTZLUWJBVZJZ-UHFFFAOYSA-N 374.506 3.509 0 40 FHAB COc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)nn2)cc1OC 408529840 PEFJNRXRQPNMFM-UHFFFAOYSA-N 350.374 3.688 0 40 FHAB O=C(NCCCN1CCCCCC1=O)c1cc2c(s1)CCCCCC2 32988737 FLOBWRSRVPVLOX-UHFFFAOYSA-N 362.539 3.930 0 40 FHAB CCCN1CCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 72216403 FSTUIIBEZZWSAD-GOSISDBHSA-N 374.529 3.686 0 40 FHAB CC(=O)c1ccc(-c2ccc(/C=C(\Sc3nc(C)n[nH]3)C(=O)O)o2)cc1 33531582 ZJTDNRKDJAKASB-SXGWCWSVSA-N 369.402 3.794 0 40 FHAB CCOc1cc(CN[C@H](c2ccccc2)c2nccn2C)ccc1OC 30643207 QHWOYLOGJIWTHN-HXUWFJFHSA-N 351.450 3.707 0 40 FHAB Cc1noc(C)c1NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C 36616597 GOJCJZWSRHIFHO-UHFFFAOYSA-N 367.434 3.862 0 40 FHAB COc1cc(C)ccc1CN1CCC([C@@]2(C)CCCCN(C)C2=O)CC1 72371996 GVRIZBLUFDHEKS-JOCHJYFZSA-N 358.526 3.864 0 40 FHAB COc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)c2ccccc12 35685662 DZCVWZSOWLBBDN-UHFFFAOYSA-N 355.415 3.852 0 40 FHAB OCc1ccc(OCc2cccc(F)c2)c(I)c1 34772904 LIJLFJWOEWQXKS-UHFFFAOYSA-N 358.150 3.502 0 40 FHAB CCCCCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 42646659 QRNVXEFNSCQOBK-UHFFFAOYSA-N 350.768 3.994 0 40 FHAB CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)/C=C/c2nccs2)cc1 40151866 RQVUAPHAKYOURK-BQYQJAHWSA-N 372.446 3.567 0 40 FHAB O=C(NCc1nc2ccccc2[nH]1)c1ccc(Oc2nccs2)cc1 225636754 FYARDPQOJAGSNQ-UHFFFAOYSA-N 350.403 3.742 0 40 FHAB COc1ccc([C@H](C)NC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1 225813129 BVFVGXYIJMDCIA-HNNXBMFYSA-N 365.433 3.864 0 40 FHAB COc1ccc(C(=O)NCc2cccc(CN3CCCC3)c2)cc1Cl 224637898 NJGCXZXHISEUDH-UHFFFAOYSA-N 358.869 3.874 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(C)cc1 223879659 FZEKFXJPLVEZQR-KRWDZBQOSA-N 370.468 3.620 0 40 FHAB Cc1cc(C)c(S(=O)(=O)n2ccnc2C(C)C)cc1Br 41095479 QCNSWAMQFCLUAM-UHFFFAOYSA-N 357.273 3.623 0 40 FHAB OCCCNC(=S)Nc1cccnc1Sc1ccc(Cl)cc1 225190326 QXXHJIAHYHKAPE-UHFFFAOYSA-N 353.900 3.555 0 40 FHAB CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1cccc(C)c1 224382039 YNXQUFCQVRSXRL-HXUWFJFHSA-N 369.461 3.882 0 40 FHAB Cc1cc(C)n(-c2cc(SCC(=O)Nc3cccc(Cl)c3)ncn2)n1 49404149 VDIMCDVCWZGJAM-UHFFFAOYSA-N 373.869 3.663 0 40 FHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccc(F)cc1 225190094 ZYFMQXDLSZZLDX-OAHLLOKOSA-N 357.425 3.667 0 40 FHAB CN(c1cc(C(=O)Nc2ccc(Cl)cc2)ccc1Cl)S(C)(=O)=O 225973314 VTKLSHISLORKLI-UHFFFAOYSA-N 373.261 3.642 0 40 FHAB CSCC[C@@H](C(=O)N[C@@H](C)c1nc2ccccc2n1C)n1cccc1 575443063 FLWGZTLFEGEPBQ-YOEHRIQHSA-N 356.495 3.546 0 40 FHAB CCOC(C)(C)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225647453 HIWKYCRLKSSLBN-CALCHBBNSA-N 362.514 3.797 0 40 FHAB O=C(NCCc1nc(-c2ccc(Cl)cc2)cs1)c1[nH]nc2c1CCC2 95478862 ZAOUXBNEIKHKKJ-UHFFFAOYSA-N 372.881 3.648 0 40 FHAB CC[C@@H](C)n1ncc(NC(=O)N2CCO[C@H](c3cccc(F)c3)C2)c1C 331626064 MOYPHAVSTKJUKN-ACJLOTCBSA-N 360.433 3.907 0 40 FHAB O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)c1snc(O)c1Cl 579306692 ZPODWXBPOQKHRG-VIFPVBQESA-N 364.776 3.653 0 40 FHAB CCS(=O)(=O)C(Cl)(Cl)C(=O)c1ccc(Cl)cc1Cl 96518135 BGZPVVDLSNJCGL-UHFFFAOYSA-N 350.050 3.742 0 40 FHAB Clc1ccc(CN2CC3(C[C@@H](OCc4ccncc4)CCO3)C2)cc1 253494874 ZDLLYHNBXOORAQ-IBGZPJMESA-N 358.869 3.685 0 40 FHAB Cc1cccc(NC[C@H]2CCCN2C(=O)c2cnnc(-c3ccccc3)c2)n1 1324316399 NQBRIROOEGZIBS-LJQANCHMSA-N 373.460 3.564 0 40 FHAB O=C(Cc1cncc2ccccc12)N1CCC[C@@H]1c1cccc2c1OCCO2 1119041843 LZBKRUMJXFEDCR-HXUWFJFHSA-N 374.440 3.912 0 40 FHAB Cc1cc(-c2cc(C(F)(F)F)nn2[C@H]2CCCS(=O)(=O)C2)c(C)o1 634633863 ICDHJNSQXWLJQK-NSHDSACASA-N 362.373 3.528 0 40 FHAB CSc1ccc([C@@H](O)CNC(=O)c2cccc(Br)c2)cc1 96103127 BSTWOLHEEDRGCY-HNNXBMFYSA-N 366.280 3.634 0 40 FHAB Cc1ncsc1CNC(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1 654429376 XUZUKKXPQOUKOV-UHFFFAOYSA-N 371.384 3.839 0 40 FHAB C[C@@H]1CN(c2ccc(NC(=O)COC3CCCCC3)cc2F)C[C@@H](C)O1 46070086 PQQCOMSLHAJYCY-HUUCEWRRSA-N 364.461 3.727 0 40 FHAB O=C(CNC(=O)C1CC1)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2 58209521 OWFLBDSLERGFLE-UHFFFAOYSA-N 367.493 3.532 0 40 FHAB Cn1nc2c(c1NC(=O)/C=C/C1=Cc3cc(Cl)ccc3OC1)CCC2 65856033 QQBOAHXTOBLYGW-VMPITWQZSA-N 355.825 3.533 0 40 FHAB CCOc1ccc(CC(=O)N[C@H](C)c2nc3cccnc3n2C(C)C)cc1 12114089 YBNYEDUHWZYUDB-OAHLLOKOSA-N 366.465 3.831 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1 14396976 MOEOOQKUDBTBSH-CVEARBPZSA-N 354.450 3.929 0 40 FHAB CC(=O)N[C@H]1CN(CCC2=C(C)CCCC2(C)C)C2(CCN(C)CC2)C1 19703850 UEZGADKAJAWHHT-LJQANCHMSA-N 361.574 3.578 0 40 FHAB Cc1nccn1CC1CN(c2nc3ccc(Br)cc3s2)C1 1889175179 MBFHBMBIYBIHCK-UHFFFAOYSA-N 363.284 3.700 0 40 FHAB Cc1cnccc1OCC1CCN(C(=O)Cn2ccc3ccccc32)CC1 1889224538 PBTXDRHXDIXWHU-UHFFFAOYSA-N 363.461 3.662 0 40 FHAB C[C@@H]1CCCN(C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)C1 25966845 IKHGEXQSRYAZDN-XLIONFOSSA-N 350.462 3.806 0 40 FHAB Cc1ccc(C(=O)N2CCC3(CCC(=O)N3Cc3cccc(F)c3)CC2)o1 1565555604 LDSSYMCTTAGTRA-UHFFFAOYSA-N 370.424 3.525 0 40 FHAB CCN(CC)CCOC(=O)c1ccc(NCCC(=O)c2cccs2)cc1 4708724 PEYUEKFTUSCKLE-UHFFFAOYSA-N 374.506 3.932 0 40 FHAB Cc1cccc(Cn2cccc(C(=O)Nc3ccc(F)cc3F)c2=O)c1 5269688 CZGMHUBOYZCHPN-UHFFFAOYSA-N 354.356 3.736 0 40 FHAB CCCN1CCCc2cc(CCNC(=O)Cc3ccc(OC)cc3)ccc21 11612955 YAJZAVKZBVZKMV-UHFFFAOYSA-N 366.505 3.759 0 40 FHAB COc1ccc2c(c1)C=C(C(=O)Nc1ccc(OC)cc1OC)C=CO2 15838787 ZJFLGHYWIFWRBI-UHFFFAOYSA-N 353.374 3.641 0 40 FHAB O=C(CSCc1ccccc1)NC[C@@H](O)c1csc2ccccc12 585371935 GAZJGGPWPATUKM-QGZVFWFLSA-N 357.500 3.984 0 40 FHAB COc1cc([C@H]2CC(O)=Nc3c2ncn3-c2cc(F)ccc2F)ccc1O 40268248 RKLVGXOXFGTVTB-GFCCVEGCSA-N 371.343 3.988 0 40 FHAB O=C(O)[C@@H]1CCCN1c1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 2554485 AVKPJZHXEUIJAH-LBPRGKRZSA-N 371.746 3.869 0 40 FHAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(CSc2ncn[nH]2)cc1 7777306 DCJOZOCAEDVGME-SFHVURJKSA-N 364.474 3.904 0 40 FHAB CC[C@H](C)NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 918080 RLACEXBLJKDZJA-VIFPVBQESA-N 352.316 3.536 0 40 FHAB Cc1cc2nnc(SCC(=O)Nc3ccc(O)cc3)n2c2ccccc12 29589097 PUCSQXBRLSBWCG-UHFFFAOYSA-N 364.430 3.627 0 40 FHAB COC(=O)c1cnc(NC(=O)c2cccc(OCc3ccccc3)c2)s1 32494042 MCHJWORGNMNDTP-UHFFFAOYSA-N 368.414 3.761 0 40 FHAB CCOCCCn1c(N)c(C(=O)O[C@H](C)CC)c2nc3ccccc3nc21 2244656 STQRQMINFMRNPZ-CYBMUJFWSA-N 370.453 3.549 0 40 FHAB CN(Cc1ccccc1)C(=O)CCc1nc(-c2ccccc2Cl)no1 2353329 CGAWGSWAYNNUMS-UHFFFAOYSA-N 355.825 3.981 0 40 FHAB C[C@@H](c1ccc(Cl)cc1)N(C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1 32777535 ZAIOPCCMIYPTDD-AWEZNQCLSA-N 373.884 3.673 0 40 FHAB O=C(c1ccccc1)c1ccc(OC[C@H](O)CNCc2cccs2)cc1 2646904 ZTEXIVPYNGEHRC-GOSISDBHSA-N 367.470 3.509 0 40 FHAB Cc1oc(-c2ccccc2)nc1COC(=O)CCNC(=O)OC(C)(C)C 32893147 HGUVFCNEJKERON-UHFFFAOYSA-N 360.410 3.608 0 40 FHAB Cc1ccc(CCNC(=O)c2nnc(Cc3c(F)cccc3Cl)o2)cc1 6822452 GYBVUYKUVBWOHF-UHFFFAOYSA-N 373.815 3.734 0 40 FHAB CCc1ccc(NC(=O)[C@H](C)OC(=O)CCC(=O)c2cccs2)cc1 2639974 IWGGIZQADGADFO-ZDUSSCGKSA-N 359.447 3.844 0 40 FHAB O=C1C[C@@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F 101276458 DSVQOPMDJVOUQB-CYBMUJFWSA-N 353.180 3.877 0 40 FHAB C[C@H](NC(=O)c1ccccc1NS(C)(=O)=O)c1ccc(C(C)(C)C)cc1 10111973 IFZMOEYIPDSWTC-AWEZNQCLSA-N 374.506 3.847 0 40 FHAB CC(=O)c1ccc(C)cc1OS(=O)(=O)c1cccc(Br)c1 10761536 QISFJTNGTCQGIP-UHFFFAOYSA-N 369.236 3.728 0 40 FHAB Cc1oc(C)c(C(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)c1C 84061226 XPZAGBZDXUNWOE-GFCCVEGCSA-N 372.248 3.681 0 40 FHAB COC(=O)c1c(NC(=O)COc2cccc(C)c2)sc2c1CCCC2 729802 HTQMKIPQHRVNBK-UHFFFAOYSA-N 359.447 3.739 0 40 FHAB Cc1c(C(=O)NCCc2ccccn2)cnn1-c1cccc(C(F)(F)F)c1 22991268 WDNVOQCSMZLQCW-UHFFFAOYSA-N 374.366 3.567 0 40 FHAB O=C(Nc1cccc2ccccc12)NC1CCN(C(=O)c2ccoc2)CC1 23053353 DTKPDTDOIOHVGE-UHFFFAOYSA-N 363.417 3.859 0 40 FHAB Ic1ccc2ncnc(NCc3ccccc3)c2c1 955120 NJGDJEQDSVRVRZ-UHFFFAOYSA-N 361.186 3.847 0 40 FHAB CCOc1cc2c(cc1NS(=O)(=O)c1ccccc1Cl)O[C@@H](C)C2 12560642 DNNVOADEHJRRIK-NSHDSACASA-N 367.854 3.863 0 40 FHAB O=C(/C=C/c1cccs1)OCC(=O)N1CCC(Cc2ccccc2)CC1 3248176 MPXZDSNNBDEKGQ-CMDGGOBGSA-N 369.486 3.786 0 40 FHAB COc1cccc(NC(=O)[C@H](NCC(C)(C)CN(C)C)c2ccccc2)c1 3280544 NQHHMBWKJXCDBX-HXUWFJFHSA-N 369.509 3.552 0 40 FHAB O=C(Cc1csc(NC(=O)c2ccccc2F)n1)O[C@@H]1C[C@H]2CC[C@H]1C2 107333488 GPORAGWQJKXSRT-MQIPJXDCSA-N 374.437 3.809 0 40 FHAB CN1CCC(NC(=O)NCc2ccccc2Sc2ccccc2)CC1 107387098 HYGZXMGBZYSLNP-UHFFFAOYSA-N 355.507 3.731 0 40 FHAB COc1ccc(CCNC(=O)c2c(C)noc2-c2ccc(C)cc2)cc1 35672064 UFMJBLZWVCLYBF-UHFFFAOYSA-N 350.418 3.940 0 40 FHAB C[C@@H](CNC(=O)Nc1cccc(CN2CCOC2=O)c1)c1ccccc1 58132914 BDWPDQRLWWIACN-HNNXBMFYSA-N 353.422 3.564 0 40 FHAB O=C(COc1cccc(F)c1)Nc1ccc(-c2nc(C3CC3)n[nH]2)cc1 58218246 CEBPSJCTQGHBQQ-UHFFFAOYSA-N 352.369 3.506 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)Cc2ccc(Cl)cc2)cc1 3327894 REAPEXOOPIPDEJ-CYBMUJFWSA-N 359.809 3.656 0 40 FHAB CCC(=O)N1CCc2cc(C(=O)N[C@H](C)c3cc(C)ccc3OC)ccc21 44904917 BRTQZGJLNSDEQR-OAHLLOKOSA-N 366.461 3.794 0 40 FHAB O=C(N[C@@H]1CCSc2c(F)cccc21)c1c[nH]c2ccccc2c1=O 28045653 IJPOISVRJXGKLM-MRXNPFEDSA-N 354.406 3.634 0 40 FHAB Cc1c(C(=O)Cn2c(-c3cccs3)noc2=O)sc2ccccc12 58485384 XVIVOJSHSNPXST-UHFFFAOYSA-N 356.428 3.971 0 40 FHAB CCCCCn1c(N)c(C(=O)O[C@@H](C)COC)c2nc3ccccc3nc21 2239546 LPFYNAFQQCAADQ-ZDUSSCGKSA-N 370.453 3.549 0 40 FHAB CCN1CCN(c2ncnc3c2oc2nc(C(C)C)c4c(c23)CCC4)CC1 2208592 AQBJDILWVWIHLG-UHFFFAOYSA-N 365.481 3.525 0 40 FHAB COc1ccc(CNC(=O)c2ccc(NC(=O)c3ccco3)s2)cc1 12757097 NPELDRIZYYTWDT-UHFFFAOYSA-N 356.403 3.532 0 40 FHAB CCc1cccc(C)c1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1F 20404108 AQTFSLKGCBUBRQ-GOSISDBHSA-N 354.425 3.940 0 40 FHAB C[C@@H]1CCc2sc(C(=O)OCC(=O)Nc3cccnc3Cl)cc2C1 3402190 DVMLTIPYGVKKPS-SNVBAGLBSA-N 364.854 3.717 0 40 FHAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cn2N)cc1Cl 8656786 CFHNCDXBYFSSHQ-UHFFFAOYSA-N 372.881 3.957 0 40 FHAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)NCCC1=CCCCC1 12926021 DVNWTMXKICGWRC-UHFFFAOYSA-N 355.887 3.511 0 40 FHAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 20460488 SZDICFJYXSQMLE-MRXNPFEDSA-N 352.434 3.836 0 40 FHAB C[C@@H]1Oc2c(C(=O)Nc3cccc(N4CCCC4=O)c3)cccc2[C@H]1C 8271712 NYZQMIWMDWGBIM-KBPBESRZSA-N 350.418 3.950 0 40 FHAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2ccccc2C(F)(F)F)cc1 13187002 XSDUNGBHGPGCES-OAHLLOKOSA-N 367.323 3.660 0 40 FHAB c1ccc(SCc2nnc3sc(-c4ccc5c(c4)OCO5)nn23)cc1 8393278 DBRMDAYCSBIBJK-UHFFFAOYSA-N 368.443 3.874 0 40 FHAB Cn1ncc2c1CCC[C@H]2NC(=O)c1c[nH]cc1-c1ccc(Cl)s1 63916294 MELGYOSWEKGTQP-CYBMUJFWSA-N 360.870 3.938 0 40 FHAB COc1cccc([C@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)c1 49550328 WGTBOHNHHZOGFM-MRXNPFEDSA-N 366.442 3.656 0 40 FHAB COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CCCC(=O)O)cc1 5030469 CDKHZUUVLKBKCR-MRXNPFEDSA-N 372.446 3.689 0 40 FHAB O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2CN(Cc3ccsc3)C[C@H]21 306138793 SHSLKPLPLQUPTJ-QFBILLFUSA-N 371.483 3.763 0 40 FHAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1SC[C@H]1CCCO1 14169715 XQZIFDGIIPKWQQ-OAHLLOKOSA-N 371.458 3.616 0 40 FHAB Cc1cccc(NC(=O)c2c(NC(=O)CNC(C)C)sc3c2CCC3)c1 4554485 KPXLKVBKSYNFHO-UHFFFAOYSA-N 371.506 3.734 0 40 FHAB C[C@H](SCc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 20238759 GDPLPJCGEPYRSL-SFHVURJKSA-N 354.519 3.653 0 40 FHAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cnc3ccccc3c2)CC1=O 66338936 HFXGLVHLXGSXOB-YJBOKZPZSA-N 359.429 3.783 0 40 FHAB FC(F)c1nc(N2CCC(c3n[nH]c(C4CC4)n3)CC2)c2ccccc2n1 66466254 UHCHLDZTDBBIMC-UHFFFAOYSA-N 370.407 3.947 0 40 FHAB O=c1c2sccc2n(CCc2ccccc2)c(=O)n1-c1cccc(F)c1 67258241 NGIGRXRHFVQEKH-UHFFFAOYSA-N 366.417 3.596 0 40 FHAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)c1ccc(C)s1 7313905 FXFLOJSNQSIQAO-UHFFFAOYSA-N 351.449 3.733 0 40 FHAB COc1cccc([C@@H]2C[C@H](c3ccc(SC)cc3)n3nnnc3N2)c1 15866427 ZZYUCVTWPFTBBF-DLBZAZTESA-N 353.451 3.550 0 40 FHAB O=C(NC[C@H]1CCCO1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 15940575 SUHNKQFJHQGXRY-GOSISDBHSA-N 365.408 3.587 0 40 FHAB CC(C)NC(=O)NCc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1 9389088 NEXFWPHWIKLYJC-UHFFFAOYSA-N 351.450 3.635 0 40 FHAB Cc1noc2nc(C3CC3)cc(C(=O)N(C)CCOc3ccccc3)c12 9389780 YIKUSRCFSYIVSJ-UHFFFAOYSA-N 351.406 3.560 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)OCC(=O)Nc1ccc(Cl)cn1 9499558 XLMIILZZAQOGIA-UHFFFAOYSA-N 373.771 3.526 0 40 FHAB Cc1cc(C)c2c(-c3ccccc3)nc(S[C@H]3C[C@@H](C)OC3=O)n2n1 9512652 ZQOWLVOTJICRJU-HIFRSBDPSA-N 353.447 3.809 0 40 FHAB Cc1c(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)sc2ccccc12 9647805 RQCXAGYFRWRKLJ-UHFFFAOYSA-N 370.474 3.893 0 40 FHAB O=C(c1cnc2ccc(F)cc2c1NCc1ccco1)N1CCSCC1 72328511 JJVGQVSSIHAQAF-UHFFFAOYSA-N 371.437 3.768 0 40 FHAB CC[C@H](NC(=O)N1CC[C@H](c2ccc(OC)cc2)C1)c1c(C)nn(C)c1C 76200646 SFZLQTZOYRTWQT-HKUYNNGSSA-N 370.497 3.696 0 40 FHAB O=C(CCS(=O)(=O)[C@H]1CCCc2ccccc21)Nc1cccc(F)c1 77603788 AUTIMVKLXFLGLH-SFHVURJKSA-N 361.438 3.647 0 40 FHAB COc1ccccc1NC(=O)c1cccc(CSc2nccn2C)c1 95957841 ZVDXUYYXTDRVCJ-UHFFFAOYSA-N 353.447 3.973 0 40 FHAB O=C1OC(c2ccccc2Cl)=N/C1=C\c1cnn(Cc2ccccc2)c1 9950571 WPFAOVNUJFSZTP-ZDLGFXPLSA-N 363.804 3.929 0 40 FHAB Cc1nc2ccccc2n1CCNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 89729978 ARQZRRSIRYMEQU-JKSUJKDBSA-N 353.853 3.918 0 40 FHAB CC(C)CCC(=O)NC(=S)Nc1cc(C(=O)O)c(Cl)cc1Cl 20151322 FBWTWBKFVBZQQV-UHFFFAOYSA-N 363.266 3.941 0 40 FHAB O=C1C[C@H](c2ccsc2)c2c(c(C(=O)O)cn2-c2cc(F)cc(F)c2)N1 61718896 MGHVNLNPCUCJAQ-CYBMUJFWSA-N 374.368 3.989 0 40 FHAB O=C(CN1C(=O)S/C(=C\c2ccsc2)C1=O)Nc1ccccc1F 408938194 RYFFGYWFAPEBAR-QPEQYQDCSA-N 362.407 3.562 0 40 FHAB O[C@@H](COc1ccc(-n2ccnc2)cc1)Cc1ccc(C(F)(F)F)cc1 555564419 JHPRBZOFCVMBQK-QGZVFWFLSA-N 362.351 3.874 0 40 FHAB CCn1cc(C(=O)Nc2cc(OC)ccc2OC)c(=O)c2cc(C)ccc21 408712930 BTKZLPDYOVEKTO-UHFFFAOYSA-N 366.417 3.599 0 40 FHAB COC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)cc1 36620944 YSQLQERADQYAPD-GOSISDBHSA-N 354.406 3.851 0 40 FHAB Cc1cc(C)cc(-n2ncc3c2N=C(O)C[C@@]32C(=O)Nc3ccccc32)c1 32100452 IPMYJQHHOFDLBO-NRFANRHFSA-N 358.401 3.719 0 40 FHAB O=C(O)[C@H]1CS[C@H](c2ccc(COc3c(Cl)cccc3Cl)o2)N1 36612348 TZRQVNAOFSMRFZ-BXUZGUMPSA-N 374.245 3.954 0 40 FHAB NC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3Br)nc2c1 216921217 DRHLTSOREZQNAK-UHFFFAOYSA-N 350.603 3.745 0 40 FHAB COc1ccc(Oc2cncc([C@H]3CCCN3C3CCOCC3)n2)cc1 72384263 WQKWIYJZKXCBRU-LJQANCHMSA-N 355.438 3.593 0 40 FHAB COC(=O)c1cccc(NC(=S)Nc2ccc(OC)c(Cl)c2)c1 71761822 OYYPMESMPOLUNI-UHFFFAOYSA-N 350.827 3.944 0 40 FHAB Cn1nc(CCNC(=O)N2CCCC[C@H]2c2nccs2)c2ccccc21 185878207 XCZVPHKILICMQA-KRWDZBQOSA-N 369.494 3.509 0 40 FHAB O=C(NCC1CCN(C2CCSCC2)CC1)c1ccc(Cl)cc1 238826199 DUQKEZDQGCTRDY-UHFFFAOYSA-N 352.931 3.677 0 40 FHAB CC(=O)c1cccc(NC(=O)CCc2nc(-c3cccc(F)c3)no2)c1 225800543 AGSPYMAJDNRLGP-UHFFFAOYSA-N 353.353 3.650 0 40 FHAB O=C(NCCCN1CCCCCC1)c1ccc(OCc2cccnc2)cc1 40120911 UHQKYCCYGDHLKM-UHFFFAOYSA-N 367.493 3.657 0 40 FHAB Cc1cc(N2CCCCCC2)nc(NC(=S)NCc2ccccc2)n1 225929139 NDOSYLUENOJPIX-UHFFFAOYSA-N 355.511 3.652 0 40 FHAB COC(=O)c1cccc(NC(=S)NCCSc2ccccc2)c1C 44663097 TUTZDPHBJAGSAH-UHFFFAOYSA-N 360.504 3.860 0 40 FHAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 223038222 FIIKRJFXGAWVHP-HUUCEWRRSA-N 367.927 3.806 0 40 FHAB Cc1cnc(C2CCN(C(=O)N[C@H](C)c3ccc4n[nH]cc4c3)CC2)s1 571072274 OHRIUGZKEGCATK-CYBMUJFWSA-N 369.494 3.978 0 40 FHAB O=C(NCCOc1cccc2ccccc12)c1ccc(Cn2ccnc2)cc1 223575533 REMHBDNVRVACKI-UHFFFAOYSA-N 371.440 3.893 0 40 FHAB CCN(CC)C(=O)c1ccccc1NC(=O)COc1cc(C)cc(C)c1 42645607 FARMUSYYCILPKQ-UHFFFAOYSA-N 354.450 3.803 0 40 FHAB O=C(c1cscn1)N1CC[C@@]2(CCCN2Cc2cccc(Cl)c2)C1 96071072 INRJOWJJGAUNQR-SFHVURJKSA-N 361.898 3.677 0 40 FHAB O=C(c1ccccn1)N1CC[C@@H](OCC2CC2)[C@@H](Cc2ccccc2)C1 96110295 QZNXVYFINYLUOU-PZJWPPBQSA-N 350.462 3.582 0 40 FHAB COC[C@H]1CN(C(=O)C[C@@H]2C=CCC2)Cc2cnn(CC3CCCC3)c21 96198444 OKOMYTZQZCVYIM-VQIMIIECSA-N 357.498 3.502 0 40 FHAB Cc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)[C@@H]4C[C@H]4C)C3)noc2n1 248334838 MBYJENLOSVXTAX-YUSALJHKSA-N 367.371 3.912 0 40 FHAB COC[C@@H]1CN(Cc2cccs2)CC12CCN(Cc1ccncc1)CC2 247847010 NGVYBXXYVAWOFM-IBGZPJMESA-N 371.550 3.504 0 40 FHAB O=C(c1ncccn1)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257315032 UZPMWSCFEWIRSE-MRXNPFEDSA-N 368.824 3.686 0 40 FHAB CC[C@H](C(=O)O)N1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 373052441 PTBOSGICHUAAKD-GOSISDBHSA-N 371.412 3.691 0 40 FHAB c1cc(OCCN2CCCC2)ccc1CN1CCC[C@H]1[C@@H]1CCCOC1 648047865 FRIJGIHJSVHUPX-IRLDBZIGSA-N 358.526 3.552 0 40 FHAB Clc1nc2cc(Br)c(I)cc2[nH]1 642887118 OMESODSROVZXCY-UHFFFAOYSA-N 357.376 3.583 0 40 FHAB O=S(=O)(NC1(c2cccs2)CCCC1)c1ccc(-n2cccn2)cc1 390828085 OMMSDRSPFDUTEG-UHFFFAOYSA-N 373.503 3.682 0 40 FHAB O=C(O)CC1CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C1 685939361 SETQPPSEGAFPJS-UHFFFAOYSA-N 351.402 3.778 0 40 FHAB O=c1cnc2ccc(Cl)cc2n1Cc1nnc(-c2ccccc2Cl)o1 1644108156 UOQIDLRAGBOMRZ-UHFFFAOYSA-N 373.199 3.802 0 40 FHAB COC(=O)c1cc(-c2cncnc2-c2ccc(OC)c(C)c2O)c(C)o1 5881673 QJVXHSMFYNNZSB-UHFFFAOYSA-N 354.362 3.521 0 40 FHAB CCn1c(CCNC(=O)C2(c3ccccc3)CCCCC2)nnc1SC 5001787 SNDWQJQZFCBVQH-UHFFFAOYSA-N 372.538 3.581 0 40 FHAB CCOC(=O)[C@](CCCO[C@H]1CCCCO1)(C(=O)CC)c1ccccc1 5395480 ATTJIMONXCEURB-FPOVZHCZSA-N 362.466 3.790 0 40 FHAB CC1CCC(NC(=O)[C@H]2[C@@H]3[C@H]2CC[C@@]32CC(=O)c3ccccc3O2)CC1 12087268 WMFQZJOXVFTIGJ-TYBRLBINSA-N 353.462 3.742 0 40 FHAB CCN1CC[C@@H](CCc2ccc(NC(=O)c3cnccn3)cc2)[C@@H](C)C1 12144905 HSZPDAJYRIMOHM-FUHWJXTLSA-N 352.482 3.639 0 40 FHAB COC(=O)c1c(NC(=O)CC2(C(=O)O)CCCCC2)sc(C)c1C 13249583 PGTFXIYUFMBGNB-UHFFFAOYSA-N 353.440 3.515 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(OC)cc1 14400313 AMFGASWVTABFMA-GJZGRUSLSA-N 370.449 3.630 0 40 FHAB C[C@@H]1CCCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 16642299 RDEMFPRUWLPYOP-LLVKDONJSA-N 350.871 3.543 0 40 FHAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 18109363 GBNDMJMRHUKKJA-QWHCGFSZSA-N 361.825 3.756 0 40 FHAB O=C(NCCn1cc(-c2ccncc2)c(C2CC2)n1)Nc1cccc(F)c1 19293960 RHRYXPRPVTZPPN-UHFFFAOYSA-N 365.412 3.783 0 40 FHAB CCCNC(=O)c1cc([C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)no1 19503679 QFXGBGHQXQRGOM-OAHLLOKOSA-N 361.873 3.847 0 40 FHAB CCc1ccccc1Nc1noc2c1CN(C(=O)c1c(C)noc1C)CC2 19523066 XOZVXFPADGNQPX-UHFFFAOYSA-N 366.421 3.784 0 40 FHAB C[C@@H](CN1CCCC1)NC(=O)c1cc(-c2ccccn2)nc2ccccc12 19718294 ZLVKRNPYTAIIGD-INIZCTEOSA-N 360.461 3.511 0 40 FHAB COc1ccc(CC(=O)Nc2ccc(-n3cnc4ccccc43)nc2)cc1 36396126 CWOQVJLNUISEPB-UHFFFAOYSA-N 358.401 3.610 0 40 FHAB Fc1ccc(F)c(CN2CC[C@@H](Oc3ccncc3Br)C2)c1 1888864231 VXJIUEFNTBVKRN-CYBMUJFWSA-N 369.209 3.776 0 40 FHAB COC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nc1 25620344 AHOXPPJHULCKTF-VIFPVBQESA-N 353.205 3.666 0 40 FHAB Cc1cc2n(CCCOc3ccc(F)cc3)c(=O)c3ccccc3n2n1 32909168 JIMUEIZCTRSQLI-UHFFFAOYSA-N 351.381 3.566 0 40 FHAB Cc1nn(-c2ccccc2)c2sc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc12 2479403 IQUFGTOPMOXKMC-STQMWFEESA-N 355.463 3.645 0 40 FHAB O=C(NC[C@@H](c1ccsc1)N1CCOCC1)c1ccc2ccccc2c1 22765923 UNCVTNSUTSECTG-FQEVSTJZSA-N 366.486 3.705 0 40 FHAB O=C(NCc1ccc(F)cc1)NCC1CCN(Cc2cccs2)CC1 38489609 UUWQUMGDFYICGE-UHFFFAOYSA-N 361.486 3.599 0 40 FHAB O=C(C(c1ccccc1)c1ccccc1)N1CCN(CC(F)(F)F)CC1 44448613 NCPMFUIUGVMSPK-UHFFFAOYSA-N 362.395 3.525 0 40 FHAB O=C(Cc1scnc1-c1cccs1)N1CCN(c2ccccc2)CC1 15840272 YUGOTWSRKYZXCP-UHFFFAOYSA-N 369.515 3.763 0 40 FHAB COc1ccc([C@@H](NC(=O)Cc2c(C)nn(CC(C)C)c2C)C2CC2)cc1 40017433 SSABIWDGCHCYEI-QFIPXVFZSA-N 369.509 3.975 0 40 FHAB COc1ccc(Cn2c(=S)[nH]c3c(sc4ncccc43)c2=O)cc1 100020964 KPWZRWSIEGXQFQ-UHFFFAOYSA-N 355.444 3.726 0 40 FHAB C[C@@H]1C[C@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(Cl)nc2)o1 30368749 LTBTVJXOGJMMAQ-IAQYHMDHSA-N 366.870 3.805 0 40 FHAB COc1ccc([C@H]2CC(=O)Nc3n[nH]cc32)cc1OCc1cccc(F)c1 20730795 HPDNSEQFRJAYQT-OAHLLOKOSA-N 367.380 3.611 0 40 FHAB Cc1cc(C)cc(C(=O)c2cccc(CN3CCC4(CC3)OCCO4)c2)c1 2515239 QEZPFYZPPOMVAE-UHFFFAOYSA-N 365.473 3.873 0 40 FHAB CCc1c(-c2nnc(-c3ccncc3)o2)nnn1-c1ccc(Cl)cc1 20717478 QTVFYBKWRACKMY-UHFFFAOYSA-N 352.785 3.595 0 40 FHAB O=S(=O)(c1cc(C(F)(F)F)ccc1C(F)(F)F)N1CCCCC1 68741251 OTNBMPHNRGMIGT-UHFFFAOYSA-N 361.307 3.899 0 40 FHAB CC[C@@H](NC(=O)[C@H]1COc2ccc(Cl)cc2C1)c1c(C)nn(C)c1C 81260165 WHJKNVUGUGCTBY-GDBMZVCRSA-N 361.873 3.509 0 40 FHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccccc1 1036002 DRUVXJMSWUSUJP-UHFFFAOYSA-N 370.449 3.573 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)c2cc(Cl)c(C(=O)O)c(Cl)c2)cc1 1728426 QSBVDGFPBZBNHA-UHFFFAOYSA-N 374.245 3.825 0 40 FHAB COc1cccc(N2CCN(C(=O)N[C@@H]3C[C@H]4CC[C@@]3(C)C4(C)C)CC2)c1 102148689 VBRXFUUOROXESP-ZWDAVXSWSA-N 371.525 3.742 0 40 FHAB CCOC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 6023955 OMKNTVCXZLXZFA-UHFFFAOYSA-N 367.854 3.934 0 40 FHAB CCOC(=O)c1ccc(CSc2nnc(Cc3ccccc3)n2C)cc1 6956298 DWWRLTUNHOSXCQ-UHFFFAOYSA-N 367.474 3.875 0 40 FHAB Cc1sc(NCCC(C)C)nc1-c1ccc(NS(C)(=O)=O)cc1 7109569 FOXISSAVQVIHSV-UHFFFAOYSA-N 353.513 3.948 0 40 FHAB O=C(NCc1ccncc1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 7499655 FNIZPDMVDGHPCD-UHFFFAOYSA-N 373.387 3.640 0 40 FHAB Cc1nc(-c2ccc(CNC(=O)c3ccc(NC(N)=O)cc3)cc2)cs1 32808606 QGLDSYPWZKIFNF-UHFFFAOYSA-N 366.446 3.539 0 40 FHAB Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)CC(C)(C)C)C2=O)cc1 7804305 HYVHGRQEYMWJGB-PTNGSMBKSA-N 360.479 3.584 0 40 FHAB COC(=O)c1ccc(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)nc1 29840117 IMEYZIHPWKNDKO-FQEVSTJZSA-N 372.424 3.656 0 40 FHAB CC(C)OC[C@H]1CCC[C@]12CN(C(=O)c1ccc3[nH]ccc3c1)CCO2 107194660 SNECCCMRIOZDST-NQIIRXRSSA-N 356.466 3.604 0 40 FHAB Cc1ccc(OCCN(C)[C@@H](C)C(=O)Nc2nc3ccccc3s2)cc1 32932827 NVNWWOPPABDBCD-HNNXBMFYSA-N 369.490 3.943 0 40 FHAB Cc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(N)=O)cc1 2471408 FCIAFBMRDFVWBT-JZJYNLBNSA-N 357.207 3.835 0 40 FHAB O=C(NC[C@H]1CCCO1)c1sc(N2CCCCC2)nc1-c1ccccc1 2705630 ICPDYRHGDXIXMU-MRXNPFEDSA-N 371.506 3.709 0 40 FHAB Cc1ccc(C(C)(C)C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)cc1 103010810 UVLQZZHFZSCCHL-UHFFFAOYSA-N 368.477 3.595 0 40 FHAB O=C(NC[C@@H]1COc2ccccc2O1)c1cc(-c2ccc(Cl)cc2)on1 22084114 OPVIMWIEAYLOOR-CQSZACIVSA-N 370.792 3.565 0 40 FHAB COC(=O)c1ccc2c(c1)[C@@H]1C[C@@](C)(O2)N(c2cccc(C)c2)C(=O)N1 101085031 SEWMNBDHGSRFPY-OXJNMPFZSA-N 352.390 3.551 0 40 FHAB CC[C@@H]1CCc2c(sc(NC(=O)c3cccnc3Cl)c2C(N)=O)C1 670343 KJERZSIZXJROQK-SECBINFHSA-N 363.870 3.663 0 40 FHAB CCOc1ccc(NC(=O)[C@@H](C)[C@@H](Cc2ccc(C)cc2)C(=O)O)cc1 864900 DIKJOESZCPAOQZ-HNAYVOBHSA-N 355.434 3.912 0 40 FHAB CC[C@H](C(=O)N1CCC(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1)c1ccccc1 106175213 ROBVEPOQXGUZDO-GIUOSPMZSA-N 368.521 3.724 0 40 FHAB CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1nnc(C2CC2)s1 43360294 OKIIUQMZGGCKJX-UHFFFAOYSA-N 354.382 3.681 0 40 FHAB Cc1c(C)c(C)c(S(=O)(=O)Nc2ccccc2-n2cncn2)c(C)c1C 12520862 OQDLKRAROSUVRR-UHFFFAOYSA-N 370.478 3.610 0 40 FHAB CCN(Cc1ccc(OC)c(OC)c1)Cc1nc(-c2ccsc2)no1 25357999 HOQDXOPVJQFCRJ-UHFFFAOYSA-N 359.451 3.837 0 40 FHAB O=C1[C@@H](N2Cc3ccccc3-c3ccccc3C2)CCN1CC(F)(F)F 78640998 ADONLKWUAXYKNC-SFHVURJKSA-N 360.379 3.832 0 40 FHAB COc1cccc(-c2nsc(NC(=O)COc3c(C)cccc3C)n2)c1 61997228 XENLWERVTUQTLR-UHFFFAOYSA-N 369.446 3.848 0 40 FHAB Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(F)c(Cl)c3)ccc12 2093162 ABMHHEAXMAKJSN-UHFFFAOYSA-N 361.756 3.911 0 40 FHAB biogenic Cc1ccc(NC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)nc1 58415303 VKARUHPOPIVXHG-UHFFFAOYSA-N 358.751 3.898 0 40 FHAB Cc1ccccc1Nc1nc([C@]2(C)C[C@]3(C[C@@H](C)OC3=O)C(=O)O2)cs1 12664191 ZCVUCXZVBWBEDO-HQOQDVMHSA-N 372.446 3.679 0 40 FHAB biogenic CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=S)NCc1ccccc1 2252619 YBBZYOHQJFUSSI-UHFFFAOYSA-N 371.437 3.970 0 40 FHAB CCOc1ccc2nc(NC(=O)[C@@H]3CC(=O)Nc4ccccc43)sc2c1 10642023 JNIDSXQVSCMZHN-CYBMUJFWSA-N 367.430 3.760 0 40 FHAB CCCC[C@H](NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)c1ccccc1 2308054 XZVICJWMODTLOV-KXBFYZLASA-N 364.445 3.719 0 40 FHAB CCCNC(=O)[C@H](C)NC(=O)CSC(c1ccccc1)c1ccccc1 45400922 BROZNUGEWZWDAF-INIZCTEOSA-N 370.518 3.540 0 40 FHAB CS(=O)(=O)c1cccc(C(=O)N2CCC(CCc3ccccc3)CC2)c1 11228713 OJWAYUGAZAXBLP-UHFFFAOYSA-N 371.502 3.575 0 40 FHAB Cc1cc(C(=O)Cn2cnc3sccc3c2=O)c(C)n1CCC(C)C 12809063 VFJDCKDNXRGGOV-UHFFFAOYSA-N 357.479 3.805 0 40 FHAB CCOc1cc2c(cc1NC(=O)COc1ccc(C(C)=O)cc1)O[C@@H](C)C2 12875896 VNYPTFIWOHPEOU-ZDUSSCGKSA-N 369.417 3.629 0 40 FHAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc2c(c1)OCC(=O)N2 12821208 IBAMSGNQOVGSFN-UHFFFAOYSA-N 352.434 3.587 0 40 FHAB CCn1c(S[C@H](C)C(=O)NC2CCCC2)nnc1-c1cccs1 3516822 PYWVGBDYERASCL-LLVKDONJSA-N 350.513 3.566 0 40 FHAB CSCc1ccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1 12946447 IPCGYMBBWWNDRO-UHFFFAOYSA-N 365.462 3.790 0 40 FHAB O=C(NC1CC1)c1ccc(CN(c2ncnc3sccc23)C2CC2)cc1 12977596 IABCDNXQDKJDKT-UHFFFAOYSA-N 364.474 3.753 0 40 FHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(Cl)cc1F 12976726 OTZVRKISQNDMNW-GFCCVEGCSA-N 358.804 3.893 0 40 FHAB Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(Cl)c1 3882272 QFTYBPMHITZRJQ-UHFFFAOYSA-N 350.249 3.538 0 40 FHAB Fc1ccc(CNC(=S)NCc2ccccc2Br)cc1 13323859 YFHWQRGXTDELDO-UHFFFAOYSA-N 353.260 3.753 0 40 FHAB C[C@H](NC(=O)c1cc(=O)[nH]c2ccc(Br)cc12)c1ccccc1 13523881 KODJKWCXORLBLC-NSHDSACASA-N 371.234 3.782 0 40 FHAB COc1ccc(-c2nc(CC(=O)Nc3cccc(O)c3)cs2)cc1OC 13728383 IOBDJIUOQIYOOW-UHFFFAOYSA-N 370.430 3.714 0 40 FHAB CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nnc1-c1ccccc1 5312125 ASUGEPOMYMVYJN-HLLBOEOZSA-N 372.538 3.998 0 40 FHAB CC(=O)N1c2ncnn2[C@@H](c2ccc(F)cc2)C[C@@H]1c1ccc(C)cc1 4816578 KYSWRNRVKSRDLU-RTBURBONSA-N 350.397 3.813 0 40 FHAB CCN(CC)CCCNc1ncnc2c1cnn2-c1ccc(C)c(C)c1 8583049 ORMFAIJKUKFBBX-UHFFFAOYSA-N 352.486 3.576 0 40 FHAB CSc1ncccc1C(=O)OCC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 4963827 KPWKBAPGCGFDIN-SQWLQELKSA-N 365.495 3.964 0 40 FHAB COc1ccc(S(=O)(=O)Nc2cccc(C(C)C)c2)cc1NC(C)=O 7055748 YBLPYRWRKSIERF-UHFFFAOYSA-N 362.451 3.578 0 40 FHAB C[C@@H]1c2cccn2CCN1CC(=O)Nc1ccccc1C(=O)c1ccccc1 8757141 OKSOJRLSYFGCSU-QGZVFWFLSA-N 373.456 3.734 0 40 FHAB CCc1c(C(=O)Nc2ccc(Br)cc2)cnn1-c1ccccn1 8715222 LJOMNWRRIPNTAQ-UHFFFAOYSA-N 371.238 3.845 0 40 FHAB COc1ccc(OCCOC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1 7545024 OBYOWPHGKHRSBF-AWEZNQCLSA-N 362.809 3.522 0 40 FHAB COC(=O)C1CCN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1 16181276 UIMYOMSABAIWIX-UHFFFAOYSA-N 357.381 3.643 0 40 FHAB CCc1ccc(NC(=O)c2nc(SC)ncc2Br)cc1 8915233 AOOZKZFWGFULBJ-UHFFFAOYSA-N 352.257 3.776 0 40 FHAB COc1ccccc1Nc1nc(N)nc(CSCc2ccccc2C)n1 9596405 NJTZJWCGFZIIMN-UHFFFAOYSA-N 367.478 3.948 0 40 FHAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2Cl)cc1 83947524 IHXRRWRBNNUAFG-SFHVURJKSA-N 372.852 3.521 0 40 FHAB Cc1ccc(C(=O)N2CCC[C@H]2C[C@@H](C)O)cc1NC(=O)c1ccccc1 95434733 FNAROCKPGXFBPE-APWZRJJASA-N 366.461 3.623 0 40 FHAB O=C(c1ccc(F)c(F)c1)c1ccccc1CN1CCC2(CC1)OCCO2 85651614 MLWJGDMNUGWWIY-UHFFFAOYSA-N 373.399 3.535 0 40 FHAB COC(=O)c1cc2ccccc2cc1NC(=O)CCOCC(F)(F)F 89404450 ORGKLDNCAUWLQM-UHFFFAOYSA-N 355.312 3.534 0 40 FHAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)N[C@H](C)c3cn[nH]c3)c12 89567462 YKMQNFOKKHNCBO-SNVBAGLBSA-N 365.368 3.551 0 40 FHAB C[C@H]1Cc2cc(-c3oc4cc5c(cc4c3CC(=O)O)OCO5)ccc2O1 1547138301 GIGKCXOWQQVPHG-JTQLQIEISA-N 352.342 3.779 0 40 FHAB biogenic CC(C)C(=O)Nc1ccccc1SCc1cc(=O)n2ccccc2n1 33026116 QXTSDFVKXGJULN-UHFFFAOYSA-N 353.447 3.581 0 40 FHAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(Br)cc2)c1 38755825 OGADQGKQQPWVES-NSHDSACASA-N 350.212 3.864 0 40 FHAB C[C@@H]1Cc2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc2N1 78404034 DDYOXAUEGIFPCL-MRXNPFEDSA-N 370.518 3.687 0 40 FHAB NC(=O)O[C@@H]1CCN(CCCC(=O)c2ccc(F)cc2)[C@@H]2CCCC[C@@H]12 31297676 RVPQELWEPXXXPC-ZHALLVOQSA-N 362.445 3.517 0 40 FHAB in-man COc1ccccc1CNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 39743770 FKWLZTMRYNZQME-UHFFFAOYSA-N 372.896 3.877 0 40 FHAB c1ccc(CCCN2CCC[C@H]2c2ccnc(Nc3cnccn3)n2)cc1 72377921 YDQXVJKMVQUFIE-IBGZPJMESA-N 360.465 3.780 0 40 FHAB COCCN1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 72359357 GILIXOPGWGDSNU-UHFFFAOYSA-N 365.399 3.988 0 40 FHAB COc1ccc([C@@H](C)NC(=O)N2CCc3ccccc3CC2)c(C)c1OC 563955980 BAOCYYOSCMXSJI-MRXNPFEDSA-N 368.477 3.884 0 40 FHAB O=Cc1ccc(OCC(=O)Nc2ccc(F)cc2F)c(Br)c1 9397098 YXYVATYGIULUSP-UHFFFAOYSA-N 370.149 3.557 0 40 FHAB Cc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(C)cc3C)n2)cc1 219536478 XSKSWJYWMHAJLY-INIZCTEOSA-N 365.433 3.746 0 40 FHAB CC(=O)Nc1ccc(OC(=O)CCc2ncc(-c3ccccc3F)o2)cc1 32878911 NKXBMXMPCNXQDM-UHFFFAOYSA-N 368.364 3.977 0 40 FHAB Cc1ccc(-c2nc3cc(N4C[C@@H](C(=O)O)CC4=O)ccc3o2)c(C)c1 70461273 MDCNSPNWYOIWDU-ZDUSSCGKSA-N 350.374 3.549 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)NCCOc2ccc3ccccc3c2)c1 223640838 DMBBSYBWFBVXQX-UHFFFAOYSA-N 355.459 3.814 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 223042424 YFPUMKSVVCUUAW-NRFANRHFSA-N 366.505 3.789 0 40 FHAB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccco2)cc1 223882157 BRMSNJQGOUSQQR-RBUKOAKNSA-N 364.474 3.918 0 40 FHAB NC(=O)COc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1 225544576 BXPIHCBXCGKSKJ-UHFFFAOYSA-N 370.424 3.530 0 40 FHAB COc1ccc(C(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)cc1OC 88218491 HGHXEBSJPMVFJE-HNNXBMFYSA-N 354.450 3.795 0 40 FHAB COc1ccc2[nH]c([C@H]3CCN(C(=O)Nc4ccc(F)cc4)C3)nc2c1 49168753 BRXWBEKVRGTVNP-LBPRGKRZSA-N 354.385 3.732 0 40 FHAB biogenic,in-vitro COC(=O)c1cc(S(=O)(=O)Nc2cc(C)cc(C)c2)ccc1Cl 223825800 XCWCUQFBICMRBK-UHFFFAOYSA-N 353.827 3.544 0 40 FHAB CC1(C)CCc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2O1 223665705 LTRAQROGMJYFSO-UHFFFAOYSA-N 357.475 3.932 0 40 FHAB Cc1cc(C(F)(F)F)nc(CCNC(=O)Cc2cccc3ccccc23)n1 77101088 NFBMICITIYKNHW-UHFFFAOYSA-N 373.378 3.858 0 40 FHAB Cn1c(C(=O)NCc2ccncc2)cc2c1c1ccccc1n2CC1CC1 96146490 FRKKKHVLACSRNU-UHFFFAOYSA-N 358.445 3.868 0 40 FHAB O=C(c1ccno1)N1Cc2cc(Nc3cccnc3)ccc2[C@H]1c1cnco1 96086997 JYTMNBZISZKKMO-IBGZPJMESA-N 373.372 3.547 0 40 FHAB COc1cccc(C(=O)N2CCC(C(=O)Nc3cc(C)ccc3C)CC2)c1 243548393 OIVQRJUAEBCQKM-UHFFFAOYSA-N 366.461 3.803 0 40 FHAB CC(C)(C)C(=O)N1CC[C@@H](Cc2ccc(-c3ccc(C(=O)O)cc3)nc2)C1 257304979 SNYHUGVKANWCNZ-INIZCTEOSA-N 366.461 3.884 0 40 FHAB O=S(=O)(CCc1ccc2c(c1)CCO2)N(CC1CCCCC1)C1CC1 1621673391 MNPKIEYVDMLFQH-UHFFFAOYSA-N 363.523 3.539 0 40 FHAB CN1CC2(CCN(C(=O)Cc3cccc(F)c3)CC2)c2cc(F)ccc21 585104574 QLTUILXZZOTYJR-UHFFFAOYSA-N 356.416 3.518 0 40 FHAB COc1ccc(C)cc1NCCC(=O)Nc1cnc2c(cnn2C(C)C)c1 58003066 ARNVIYIRZPPCHD-UHFFFAOYSA-N 367.453 3.770 0 40 FHAB Cn1cccc1[C@H]1CCCN1C(=O)NCc1ncc(-c2ccccc2)o1 71806476 YPVFGOGTWXAFCJ-QGZVFWFLSA-N 350.422 3.727 0 40 FHAB CC1=CC(C)(C)N2C(=O)[C@](O)(CC(=O)c3ccccc3)c3cc(C)cc1c32 1740816784 UTMWNMSZMKKKNO-QHCPKHFHSA-N 361.441 3.998 0 40 FHAB COC(=O)c1scnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 11919388 LNSIMOXLSSWYAX-UHFFFAOYSA-N 358.416 3.606 0 40 FHAB Cc1cc(C(=O)NCc2ccc(OC(F)F)cc2)c2cnn(C(C)C)c2n1 12819085 ACJZRKPRUATBCW-UHFFFAOYSA-N 374.391 3.852 0 40 FHAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](OS(=O)(=O)O)CC[C@]34C)[C@@H]1CCC2=O 13542995 ZMITXKRGXGRMKS-BNSUEQOYSA-N 370.511 3.786 0 40 FHAB endogenous,in-man CCCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1 15923202 UPYBLHJHVUIFEV-UHFFFAOYSA-N 370.430 3.550 0 40 FHAB CC1=NN(c2ccccc2)C(=O)[C@]1(C)[C@@]1(C)C(=O)N(c2ccccc2)N=C1C 16607318 RTKZPUFORVKLBP-FGZHOGPDSA-N 374.444 3.844 0 40 FHAB Cc1cc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)Cc2ccccc2)on1 19121329 AAYBJHRYEOCGSJ-GOSISDBHSA-N 364.449 3.680 0 40 FHAB O=C1CCCCCN1CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 19370047 KUIPPGJOXPBJGC-NRFANRHFSA-N 368.502 3.625 0 40 FHAB C[C@H](NC(=O)c1cnc(-c2ccccc2)[nH]c1=O)c1ccc(Cl)cc1 19937335 RZIBRHHIHIMSTP-LBPRGKRZSA-N 353.809 3.581 0 40 FHAB O=C(NC[C@@H](O)c1ccc(-n2cccn2)cc1)c1cc2ccccc2s1 1888982185 HFIFMFNNQIRNNQ-QGZVFWFLSA-N 363.442 3.550 0 40 FHAB CC(C)N(CCNC(=O)c1cc2cc(Br)ccc2[nH]1)C(C)C 24842316 XARGNTNYGHMLJQ-UHFFFAOYSA-N 366.303 3.779 0 40 FHAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CCCCC2)[C@@H]1CNC(=O)Cc1ccccc1 1775964412 QECHLPQZZVCJGM-VRXWPRPYSA-N 368.521 3.551 0 40 FHAB biogenic,in-vitro Cc1nc(Oc2ccc(F)cc2)c(C(=O)N2CCOCC2)c(C)c1Cl 1072423 GGFSGDAQVPJXDO-UHFFFAOYSA-N 364.804 3.756 0 40 FHAB O=C(Cn1c(-c2cncs2)nc2ccccc21)NCCc1ccccc1 1087884 RLVAECXCGINYQB-UHFFFAOYSA-N 362.458 3.519 0 40 FHAB Cc1c(-c2cccc(NS(=O)(=O)c3ccccc3)c2)nc2ncccn12 4033237 YDPVEAAXFYYCIH-UHFFFAOYSA-N 364.430 3.506 0 40 FHAB COc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1N1CCCCC1=O 5441907 IXRFIPVDUZXJJK-UHFFFAOYSA-N 360.360 3.743 0 40 FHAB CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccc(SC)cc1 8782313 QIEVJFKZNLXIEB-GOSISDBHSA-N 368.458 3.737 0 40 FHAB CCOCCCC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 40112641 JJCUGYRLNWFNIC-LJQANCHMSA-N 372.534 3.780 0 40 FHAB COc1ccc(-c2csc(NC(=O)[C@H](C)OCC(F)(F)F)n2)cc1 31679949 ZJARUPPBGSOWOG-VIFPVBQESA-N 360.357 3.725 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@@H]2CC(O)=Nc3cc(-c4ccccc4)nn32)cc1 20730119 BNJISOHIJDHSLH-SFHVURJKSA-N 374.400 3.924 0 40 FHAB O=C(c1cc(=O)c(OCc2ccc(Cl)cc2)co1)N1CCCCCC1 11856627 WOILOSWKVKSXJN-UHFFFAOYSA-N 361.825 3.888 0 40 FHAB COC(=O)c1cn(C2CCCCCC2)cc2c(=O)n(-c3ccccc3)nc1-2 101450749 UTNRMKINDZWJIZ-UHFFFAOYSA-N 365.433 3.821 0 40 FHAB COc1ccccc1C(=O)NC(=S)Nc1nc2ccc(F)cc2s1 1266859 WXKCTACCVDDVRX-UHFFFAOYSA-N 361.423 3.571 0 40 FHAB CCOc1ccc(OCc2ccc(C(=O)NCc3cccnc3)o2)cc1 2750815 AIIXLSFYWQJHFS-UHFFFAOYSA-N 352.390 3.582 0 40 FHAB CCC(C)(C)C1CCC(NC(=O)c2c(Br)cnn2C)CC1 2782572 IWCAAHVQXAYABS-UHFFFAOYSA-N 356.308 3.907 0 40 FHAB C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)NCCc1ccc(F)cc1 32754466 VVJFEZXPHUFRGP-HNNXBMFYSA-N 354.425 3.924 0 40 FHAB COC(=O)c1cc(NC(=O)c2cc(C)nc3cc(F)ccc23)ccc1F 32816512 FTGFKQSMPCRCRM-UHFFFAOYSA-N 356.328 3.860 0 40 FHAB C[C@@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)N1[C@H](C)CCC[C@H]1C 4897823 PZEKONNQSHIONF-JHJVBQTASA-N 369.494 3.776 0 40 FHAB COc1cccc(CNc2c(Cc3ccccc3)c(C)nc3ncnn23)c1 4898055 HRLBZGPUFAIEBT-UHFFFAOYSA-N 359.433 3.644 0 40 FHAB COc1ccc(C(=O)NCCc2cccc(F)c2)cc1Br 7125487 OKFQDRFLTJUFTC-UHFFFAOYSA-N 352.203 3.569 0 40 FHAB Cc1nnc(SCC(=O)c2cc(C)n(-c3nccs3)c2C)s1 7193202 MDHQVDGBGYHEAH-UHFFFAOYSA-N 350.494 3.686 0 40 FHAB O=C(COc1cccc(C(F)(F)F)c1)N[C@H]1CCOc2ccccc21 7215629 PRJAKPIRWRDDFB-HNNXBMFYSA-N 351.324 3.724 0 40 FHAB CCOc1cc(C=O)ccc1OCC(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 100225550 VMBCQDUHSOHVOB-HRAATJIYSA-N 359.466 3.704 0 40 FHAB COC(=O)C[C@H](NC(=O)Cc1c(F)cccc1Cl)c1cccs1 32900546 DEKQLNIESGWTPT-ZDUSSCGKSA-N 355.818 3.504 0 40 FHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc2c(s1)CCC2 29979314 XZCMGQDAJQDXTE-UHFFFAOYSA-N 364.417 3.616 0 40 FHAB S=C(NC1CCCCC1)NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1 100423148 VUYXYLCAUWDIDR-WOJBJXKFSA-N 357.567 3.979 0 40 FHAB CCc1nc(OCC(=O)Nc2cccc(SC)c2)c2ccccc2n1 33141698 XBNXZAVPXAVVOM-UHFFFAOYSA-N 353.447 3.932 0 40 FHAB CC(=O)Nc1ccc(OC(=O)c2cnn3c(-c4ccccc4)ccnc23)cc1 41619231 HHSCDRHDAAZYSM-UHFFFAOYSA-N 372.384 3.574 0 40 FHAB O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCCC1)c1ccccc1Cl 12197328 NCDSJPMKPSCGOZ-QGZVFWFLSA-N 372.852 3.636 0 40 FHAB CC(C)OCCCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 22698749 BAQPJYKQAZINEZ-UHFFFAOYSA-N 373.472 3.825 0 40 FHAB C[C@@H](C(=O)NCc1ccco1)n1cc(C(=O)c2ccco2)c2ccccc21 811909 MSIZTGSXAQSJIZ-AWEZNQCLSA-N 362.385 3.936 0 40 FHAB COc1ccc(NC(=O)c2cccc(-n3ccnc3SC)c2)c(OC)c1 42567814 YGICWQDNVDZTTE-UHFFFAOYSA-N 369.446 3.864 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)NCc1cccc(NC(=O)C2CC2)c1 24929246 XSSFOZVYFNDDID-INIZCTEOSA-N 365.477 3.856 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)Nc1ccc(F)cc1Br 51354469 DPMUFOITPWKYCT-UHFFFAOYSA-N 353.147 3.961 0 40 FHAB Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1ccncc1 55593007 DPWHZNFGRSALQL-GJZGRUSLSA-N 351.450 3.760 0 40 FHAB O=C(Nc1c(-c2ccccc2)nc2sccn12)[C@H]1CC=CC[C@H]1C(=O)O 12535817 XJCXSBZUZOIPNQ-UONOGXRCSA-N 367.430 3.668 0 40 FHAB Cc1cccc(NCC(=O)Nc2cc(F)ccc2F)c1C(=O)N1CCCC1 55846800 FIBCTZQGFCJXED-UHFFFAOYSA-N 373.403 3.560 0 40 FHAB CC(C)(C)c1ccccc1OCC(=O)N1CCN(Cc2ccccc2)CC1 20512217 SSBTXVGTQQNWFA-UHFFFAOYSA-N 366.505 3.707 0 40 FHAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cccc(Cn3cccn3)c2)c1 25134151 XZAPIBMHGNVUTI-FOIQADDNSA-N 374.444 3.778 0 40 FHAB COC(=O)CNC(=O)CC12C[C@H]3C[C@H](C1)CC(c1ccc(C)cc1)(C3)C2 100864036 PCEUWMZPDVUCGA-WZGNDQMWSA-N 355.478 3.512 0 40 FHAB O=S(=O)(c1ccccc1Cl)N(Cc1cccnc1)Cc1ccco1 12527567 HMTIUGGVDNKFKM-UHFFFAOYSA-N 362.838 3.719 0 40 FHAB Cc1nc(NC(=O)[C@H](C)Sc2nnc(OC(C)C)s2)sc1C 58193304 DLKRPTIOLLHMRX-VIFPVBQESA-N 358.514 3.518 0 40 FHAB CC(=O)c1sc2nc(CN3CCC[C@H]3c3cccs3)[nH]c(=O)c2c1C 58169308 BGSOBLZCFQXNMO-LBPRGKRZSA-N 373.503 3.894 0 40 FHAB Cc1ccc(-n2cnnc2SCC(=O)N2CCC[C@@H](C)C2)cc1Cl 10249641 CSYJKJMNSPIMBO-GFCCVEGCSA-N 364.902 3.580 0 40 FHAB CC(C)(C)c1ncc(C(=O)NCc2ccccc2CN2CCCC2)s1 58391514 AVSYLZALYLHJIP-UHFFFAOYSA-N 357.523 3.966 0 40 FHAB Cc1ccc(-n2ncc3c2ncn2c(COc4ccccc4C)nnc32)cc1 2234284 LSGAOUTYLMPYMZ-UHFFFAOYSA-N 370.416 3.659 0 40 FHAB CC[C@@H](C(=O)Nc1nn2c(-c3ccccc3)nnc2s1)c1ccccc1 20486450 FUFUVUFLRWUNNK-OAHLLOKOSA-N 363.446 3.985 0 40 FHAB Cc1nc(N2CCN(C(=O)c3ccccc3)CC2)c2oc3ccccc3c2n1 2421739 VAERTUJNCNWWHP-UHFFFAOYSA-N 372.428 3.647 0 40 FHAB CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@@H](C)C(=O)N(C)c1ccccc1 3365676 GWEXUSMGSPGPEX-LBPRGKRZSA-N 374.462 3.532 0 40 FHAB O=C(CSc1nc2ccccc2[nH]1)CSc1nc2ccccc2[nH]1 3313631 XJGGXMXXRBUTGL-UHFFFAOYSA-N 354.460 3.893 0 40 FHAB Cc1c(O)ccc2c(CN(C)CCOc3cccc(Cl)c3)cc(=O)oc12 12778168 KQUPKNLZZWJMEB-UHFFFAOYSA-N 373.836 3.971 0 40 FHAB Cc1cccc(N2CCN(C(=O)[C@H](C)OCc3ccccc3)CC2)c1C 48301009 DKUURUQTWHJCKU-IBGZPJMESA-N 352.478 3.557 0 40 FHAB COc1cc([C@H](C)NC(=O)c2cnc(C)cn2)ccc1OC1CCCC1 48339202 PXJDLRAWQMREQB-AWEZNQCLSA-N 355.438 3.606 0 40 FHAB CCOc1ncccc1C(=O)NCCc1ccc(-c2csc(C)n2)cc1 12814715 QSIDHJRURXABAZ-UHFFFAOYSA-N 367.474 3.885 0 40 FHAB C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)N1CCCc2ccccc21 12804405 LIPJLZGBRCLPGB-HNNXBMFYSA-N 362.429 3.622 0 40 FHAB CCc1cccc(CC)c1NC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21 12977901 MVUMZCOTTDZUHZ-OAHLLOKOSA-N 366.461 3.954 0 40 FHAB COC(=O)c1c(NC(=O)CC2(C(=O)O)CCCCCC2)sc(C)c1C 13249589 RMNULHZJVNTWII-UHFFFAOYSA-N 367.467 3.905 0 40 FHAB c1ccc(-n2ncc3c(NCCc4c[nH]c5ccccc45)ncnc32)cc1 3912196 ABQHKYDCMABBBA-UHFFFAOYSA-N 354.417 3.951 0 40 FHAB O=c1/c(=C/c2cccc(Cl)c2)sc2nc(/C=C/c3cccs3)nn12 27021983 YXAANMKHEZZXKB-FKEISFMISA-N 371.874 3.584 0 40 FHAB Cc1cccc(Nc2nnc(S[C@H](C)C(=O)NCc3ccco3)s2)c1 6057677 AFAPMYJWWUZURK-GFCCVEGCSA-N 374.491 3.980 0 40 FHAB CCN1CCn2c(nc3cc(NC(=O)c4ccc(Cl)cc4)ccc32)C1 13721327 SVOIDSOFXGKIEM-UHFFFAOYSA-N 354.841 3.778 0 40 FHAB Brc1cnc2nc(SCc3nc4ccccc4[nH]3)[nH]c2c1 13865236 XGJZZNARDKDONI-UHFFFAOYSA-N 360.240 3.889 0 40 FHAB COc1ccc(/C=C2/NC(=S)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 6372887 PEMLSHWUBTXYQQ-OQLLNIDSSA-N 374.849 3.619 0 40 FHAB CCOC(=O)N1CCC(NC(=O)c2cc3ccccc3cc2OCC)CC1 14093901 VNGBMDNTUZJVDU-UHFFFAOYSA-N 370.449 3.589 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(C)c(C)c3O)[nH]n2)c1 5343926 NKFKZLJKSQKLBC-UHFFFAOYSA-N 367.405 3.669 0 40 FHAB C[C@@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccccc1 6401665 MOAKUANLJCHGEA-MRXNPFEDSA-N 369.424 3.877 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1nc(-c2cccs2)n[nH]1 14122713 YSRONWHZKSINHO-LLVKDONJSA-N 374.491 3.970 0 40 FHAB COc1ccc(C(=O)C2CCN(Cn3ccn(C4CC4)c3=S)CC2)cc1 14122353 RMRLKCGMPBGKLG-UHFFFAOYSA-N 371.506 3.915 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)N3CCc4sccc4C3)o2)cc1 14141674 HNSQIWJYOGOOTB-UHFFFAOYSA-N 371.487 3.784 0 40 FHAB Cc1cccc(CN2CC[C@]3(C2)CN(Cc2cccnc2)c2cccnc23)c1 306140093 UJSWDGJEVQNVBP-DEOSSOPVSA-N 370.500 3.949 0 40 FHAB O=C(CSc1ncn[nH]1)Nc1cccc(-c2nc3ccccc3s2)c1 5648945 MUVXKIBVBFEFFX-UHFFFAOYSA-N 367.459 3.812 0 40 FHAB CCC[C@@H](C)c1nnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)s1 4998702 RYFWLPPKYWUVHB-KGLIPLIRSA-N 372.494 3.742 0 40 FHAB CCCCN(C)C[C@@H](C)OC(=O)C(O)(c1ccccc1)c1ccccc1 67319146 HDWDSQSFHHWROG-GOSISDBHSA-N 355.478 3.586 0 40 FHAB Nn1c(SCc2cccc(F)c2)nnc1-c1ccc(OC(F)F)cc1 15280927 YRMRJZXEIIOMTH-UHFFFAOYSA-N 366.368 3.692 0 40 FHAB CCCN1C(=O)S/C(=C\c2cn(CC(=O)OCC)c3ccccc23)C1=O 409146644 VFDNZJBGTKYNIA-YBEGLDIGSA-N 372.446 3.651 0 40 FHAB CC[C@H]1c2ccsc2CCN1CC(=O)Nc1ccc(OC)cc1OC 15547142 GZXLEZVAPUHWEU-INIZCTEOSA-N 360.479 3.713 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)c(C)c1 7235932 PNSNRKJAROLHGY-UHFFFAOYSA-N 370.453 3.969 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H](NCc2cccc(Br)c2)C1 67801292 UDNCJGVTDHTJNA-OAHLLOKOSA-N 369.303 3.938 0 40 FHAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2C(C)(C)C)n1 16046599 HRVWRVSJBSHSPJ-UHFFFAOYSA-N 359.495 3.751 0 40 FHAB CC[C@H](C)c1ccccc1N1C[C@H](C(=O)O[C@@H](C)c2nnc(C)o2)CC1=O 68505678 QCJBVKXZOLZSPX-KCQAQPDRSA-N 371.437 3.549 0 40 FHAB O=C(NC1=NCCS1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 8012716 CHHILVFFIQDOFL-UHFFFAOYSA-N 368.487 3.688 0 40 FHAB Cc1ccc(CSCCNC(=O)CCc2ccc3c(c2)OCCO3)cc1 24616614 WRNMSXJLJQGBKD-UHFFFAOYSA-N 371.502 3.748 0 40 FHAB NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 71890235 SKAZBKXPAJBLRU-UHFFFAOYSA-N 362.820 3.899 0 40 FHAB CC(=O)c1cccc(NC(=O)N2[C@@H](CO)CSC[C@H]2c2ccccc2)c1 72289135 ZFZUHDVECQWGRQ-OALUTQOASA-N 370.474 3.572 0 40 FHAB CS[C@@H]1CN(Cc2cc(F)ccc2Br)C[C@@H]1N1CCCC1 95941527 FOYRNYWBYRZHIU-JKSUJKDBSA-N 373.335 3.600 0 40 FHAB CC(=O)c1ccc(O[C@@H](C)C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 9901313 GRIUUBRKDDPJMH-HNNXBMFYSA-N 362.429 3.723 0 40 FHAB COc1cc([C@@H]2NCc3cc4c(cc3-n3cccc32)OCO4)ccc1F 55231417 WZALNQKDAQULAI-FQEVSTJZSA-N 352.365 3.546 0 40 FHAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2cccc(C)c2)c(F)c1F 408628238 RHCFGBRPFHHXER-UHFFFAOYSA-N 372.343 3.687 0 40 FHAB COc1ccc(CNC(=O)c2cn[nH]c2-c2cccc(Cl)c2)cc1OC 72328848 FGKOMLUDPMXUOI-UHFFFAOYSA-N 371.824 3.677 0 40 FHAB Cc1c(C(=O)NCCc2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 32895337 YHHFYKXVHZMLCD-UHFFFAOYSA-N 374.366 3.567 0 40 FHAB O=C(c1ccccc1)c1ccccc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 35913019 FCYHIISRWIABQG-OHQAAIJDSA-N 363.413 3.603 0 40 FHAB COc1cc(F)c(NCc2nnc(-c3ccccc3OC)o2)cc1OC 133825801 RFTYCRHXDLDRDQ-UHFFFAOYSA-N 359.357 3.514 0 40 FHAB O=C(O)[C@H]1CC(=O)N(c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)C1 45887145 VHKSFVQOARLEFV-NSHDSACASA-N 356.765 3.586 0 40 FHAB COc1ccccc1CCCNC(=O)c1ccc(Cn2ccnc2C)cc1 44906725 JEVMIHIDCVCXPS-UHFFFAOYSA-N 363.461 3.611 0 40 FHAB CC(C)(CC(=O)O)c1cc(Br)c(O)c(Br)c1 85398515 DCUHVDDMJYCXLX-UHFFFAOYSA-N 352.022 3.670 0 40 FHAB COC[C@@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2)o1 224914413 XHNZPIBSDFFCKT-CQSZACIVSA-N 366.417 3.782 0 40 FHAB CCOc1ccc(CCC(=O)NCCOc2ccccc2C)cc1OCC 224394226 QXOXVVOXTJMTAY-UHFFFAOYSA-N 371.477 3.920 0 40 FHAB CCCN1CC[C@@](C)(O)[C@@H](NC(=O)CC(C)(C)C)[C@@H]1c1cccs1 514290087 YDOOYNYGONPDRK-JENIJYKNSA-N 352.544 3.577 0 40 FHAB biogenic,in-vitro CCCc1ccc(OCCNS(=O)(=O)c2ccc(Cl)cc2)cc1 223974598 CFDFYXABULCZCB-UHFFFAOYSA-N 353.871 3.650 0 40 FHAB COc1ccc(S(=O)(=O)N(C)c2cccc(Br)c2)cc1C 224636187 JBDWZPZAIGWQBE-UHFFFAOYSA-N 370.268 3.591 0 40 FHAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222710647 LTLWUIVSIQRBNV-YJBOKZPZSA-N 355.434 3.801 0 40 FHAB c1csc(CN2CC[C@H]3OCCC[C@]3(COCc3ccncc3)C2)c1 96040172 ZUZCLTRYPZAVFM-WOJBJXKFSA-N 358.507 3.731 0 40 FHAB Cc1ccc(C(=O)N2CCc3nc(-c4ccc(F)cc4)nc(C)c3CC2)o1 96254737 RGHXUCOIJPHJKF-UHFFFAOYSA-N 365.408 3.734 0 40 FHAB CCOC[C@H]1COCCC12CCN(Cc1ccc3ccccc3n1)CC2 96106425 NWTIYTZODCQJOL-IBGZPJMESA-N 354.494 3.890 0 40 FHAB CC1(C)CC2(CCN(CC(=O)Nc3ccc4c(c3)CCCC4)CC2)CO1 257209477 BQNLKTVYGUKGEV-UHFFFAOYSA-N 356.510 3.785 0 40 FHAB CNc1cc([C@H]2CCCN2C(=O)c2c[nH]c3ccc(OC)cc23)ccn1 257306711 SVMIYEVPUZYLIG-GOSISDBHSA-N 350.422 3.591 0 40 FHAB Fc1ccccc1-c1cncc([C@@H]2CN(CCc3ccccc3)CCO2)n1 257202523 AMFFKADDZWISTI-QFIPXVFZSA-N 363.436 3.899 0 40 FHAB C[C@H](C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 42219072 RRPMNHKKQITNRH-XXWNAHEMSA-N 361.507 3.526 0 40 FHAB O=C(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1Oc1ccccc1 257240800 HVGNEYRZOADXCL-UHFFFAOYSA-N 371.389 3.737 0 40 FHAB CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2oc3ccc(F)cc3c2C)C1 267368823 FIFIXLHEXBMMPO-LCHIKPRUSA-N 351.443 3.690 0 40 FHAB C[C@]1(Cc2ccccc2C(F)(F)F)CCCN1Cc1nc(C(=O)O)co1 659803560 IXHPSRQEWGAUBF-QGZVFWFLSA-N 368.355 3.989 0 40 FHAB CCOc1ccc([C@@H](COC)NC(=O)N2C[C@H](C)C(F)(F)[C@H](C)C2)cc1 585123255 MTBBCVYYHADJKP-JKIFEVAISA-N 370.440 3.706 0 40 FHAB CO[C@@H]1CCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@@H](C)S[C@H](C)C1 1555135578 GHCSXIGPCMURMC-KLHDSHLOSA-N 352.548 3.547 0 40 FHAB CN(Cc1c(F)cccc1F)C(=O)c1cnc(OCc2ccccc2)cn1 511909210 HYEIMHWQURNBCQ-UHFFFAOYSA-N 369.371 3.606 0 40 FHAB O=C(CSc1ccccc1C(=O)O)Nc1cccc(Br)c1 5771094 IMVRLIJEGZWHTK-UHFFFAOYSA-N 366.236 3.878 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1Cl 13685629 QWDNDZOIOJTZQL-CYBMUJFWSA-N 360.841 3.886 0 40 FHAB CC[C@@H](C(=O)Nc1ccccc1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716081 PGCSPLZPASGLGQ-IBGZPJMESA-N 374.506 3.795 0 40 FHAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 14024258 ZBWPQSJBNDCZRD-LJQANCHMSA-N 352.434 3.719 0 40 FHAB CCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 16601528 MBZLEUPGJGBUCI-OAHLLOKOSA-N 360.479 3.714 0 40 FHAB COc1cc(C)c(/C=c2\sc3nc4ccccc4n3c2=O)cc1C(C)C 164779504 IPDWVODNZFLHQP-ODLFYWEKSA-N 364.470 3.897 0 40 FHAB Cc1ccc(-c2noc(CNc3ccc(C(=O)N(C)C)c(C)c3)n2)cc1F 157287673 HBFQVJPRBOBTSI-UHFFFAOYSA-N 368.412 3.806 0 40 FHAB COCC(=O)N1CCCCCCCNCc2cc(-c3ccncc3)ccc21 643589715 ZVXAKWFBCPVLDT-UHFFFAOYSA-N 367.493 3.782 0 40 FHAB COc1ccc(CC(=O)c2c(O)cc3c(c2OC)CCC(C)(C)O3)cc1 248341351 WHBFOCTWZGJHJO-UHFFFAOYSA-N 356.418 3.938 0 40 FHAB biogenic,in-vitro COc1cccc(-c2noc(C3CCN(Cc4c(C)noc4C)CC3)n2)c1 1888890110 SFCFHQCZFXWSCI-UHFFFAOYSA-N 368.437 3.730 0 40 FHAB CCNC(=O)N1CCC(c2ccc3cc(-c4ccncc4)cnc3n2)CC1 1888914731 MTJDPZGRGFDWLD-UHFFFAOYSA-N 361.449 3.601 0 40 FHAB c1csc(CN2CCCN(Cc3nc(-c4cccs4)no3)CC2)c1 30211302 RDEGISIDFKQDCU-UHFFFAOYSA-N 360.508 3.568 0 40 FHAB COc1ccc(CNC(=O)N[C@@H](c2cccs2)C2CCOCC2)cc1 1565523881 ZWTCATGGNDRFDF-GOSISDBHSA-N 360.479 3.724 0 40 FHAB Cc1ccc(N(C(=O)c2ccccc2Cl)[C@@H]2C=CS(=O)(=O)C2)cc1 5070863 ABTRAAJLDMPSRD-OAHLLOKOSA-N 361.850 3.606 0 40 FHAB COc1ccc(N2C[C@H](CNC(=O)Nc3cccc(Cl)c3)CC2=O)cc1 9039100 MXUJORMDPHQATJ-ZDUSSCGKSA-N 373.840 3.523 0 40 FHAB CCOc1ccc(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1 16506382 VPVGHTUEBUUBMB-UHFFFAOYSA-N 371.418 3.568 0 40 FHAB Cc1ccsc1CN1CCC(Nc2ccccc2)(C(=O)N2CCC2)CC1 2055751368 ORCIGFQMPSGJKA-UHFFFAOYSA-N 369.534 3.736 0 40 FHAB Cc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)sc2nc(-c3ccc(F)cc3)cn12 18021131 BYXVPIYVBOVFHA-TXEJJXNPSA-N 373.453 3.760 0 40 FHAB COc1ccccc1NC(=O)N1CCC(COc2ncccc2C)CC1 1775969561 YLFXDYWFVPKQBC-UHFFFAOYSA-N 355.438 3.722 0 40 FHAB Cc1oncc1C(=O)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 1890271566 NYMHKPTVESDFBY-UHFFFAOYSA-N 362.433 3.823 0 40 FHAB CCCC[C@@H](CC)CN[C@@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)O 3354669 QDKTVLIHTGGCJU-CJNGLKHVSA-N 354.878 3.928 0 40 FHAB CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2)c1 6570353 INMHNTKOIVUVLI-LBPRGKRZSA-N 372.446 3.689 0 40 FHAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(F)c(F)c2)cc1 10492234 YNBBKGOZBASMNF-UHFFFAOYSA-N 360.389 3.833 0 40 FHAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N1CCC[C@H]1c1ccncc1 40050692 FRYNZOUQNKKEPB-HNNXBMFYSA-N 374.366 3.814 0 40 FHAB CCc1nc(CS(=O)(=O)Cc2csc(-c3ccccc3)n2)cs1 40106413 MVZIONOQXOZTKC-UHFFFAOYSA-N 364.517 3.944 0 40 FHAB Cc1cc(-c2nn3c(-c4ccccc4Br)nnc3s2)no1 20724150 DKXOQUNJDMOUDX-UHFFFAOYSA-N 362.212 3.579 0 40 FHAB O=C(Cc1csc(-c2ccccc2F)n1)Nc1ccc2c(c1)OCO2 11867514 AXVDFUZADMIWMO-UHFFFAOYSA-N 356.378 3.859 0 40 FHAB O=C(O)Cc1ccc(OCCCCCOc2ccc(CC(=O)O)cc2)cc1 1699483 MTLHLUGTAHWVIL-UHFFFAOYSA-N 372.417 3.569 0 40 FHAB O=C(COc1ccc(Br)cc1F)NCCC1=CCCCC1 2645983 WXCHMSCZEZRWHP-UHFFFAOYSA-N 356.235 3.974 0 40 FHAB Cc1ccc(-c2nc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)sc2C)cc1 2736188 MNIUQIMUATZZEH-UGUYLWEFSA-N 368.458 3.888 0 40 FHAB CO[C@H](c1ccccc1)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 41195187 BVFWKUZIXGTAGC-HXUWFJFHSA-N 359.491 3.783 0 40 FHAB CN(C(=O)CSc1nnc(C2CC2)n1-c1ccccc1)c1ccccc1 2624189 VQTNNBAHOKRHGY-UHFFFAOYSA-N 364.474 3.900 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)NCC2(c3ccccc3)CCC2)c1C 32865908 BQZYURAXIXTZSV-UHFFFAOYSA-N 354.450 3.660 0 40 FHAB C[C@H](NC(=O)CCc1nc(-c2cccnc2)no1)c1cccc(Cl)c1 32824614 RWGJVLYIYJKOTK-LBPRGKRZSA-N 356.813 3.595 0 40 FHAB CCOC(=O)c1cc2oc(C)cc2n1CC(=O)N1CCCc2ccccc21 4968496 HAFXMZWSRINAEU-UHFFFAOYSA-N 366.417 3.699 0 40 FHAB COCCN(C(=O)Cc1ccccc1)c1nnc(-c2ccccc2C)s1 4982457 XDIMEFKUPGNOJL-UHFFFAOYSA-N 367.474 3.736 0 40 FHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1cccc(C(F)(F)F)c1 102483567 DZAUXWGQCGSJEG-TYNCELHUSA-N 357.372 3.803 0 40 FHAB COc1ccccc1NC(=O)[C@H](C)N(C)CCOc1ccc(Cl)cc1 7267494 WVNQJCQEWBMWMM-AWEZNQCLSA-N 362.857 3.686 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1OC 8049743 BDIJDVWIWOIQIS-GJZGRUSLSA-N 370.449 3.630 0 40 FHAB O=C(Nc1ccc(Cl)cc1)c1cc2c(=O)n3ccccc3nc2s1 2722837 GEYDJWDPBMXSEV-UHFFFAOYSA-N 355.806 3.815 0 40 FHAB Cn1c(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)nc2ccccc21 12238533 YEIQYDWDHUPZCC-KRWDZBQOSA-N 355.438 3.824 0 40 FHAB CC1CCN(C(=O)[C@@H](C)Sc2nncn2-c2cccc(Cl)c2)CC1 22093656 DBVJQCDLSSYQKE-CYBMUJFWSA-N 364.902 3.660 0 40 FHAB O=C(c1ccc(Cl)cc1)N1CCC(C(=O)N2CCc3ccccc32)CC1 8327787 ZBWHCJALHGVKOZ-UHFFFAOYSA-N 368.864 3.782 0 40 FHAB O=C(CCCn1cnc2ccccc2c1=O)N1CCC[C@H]1c1ccccc1 22552073 GFQCOZVFYGTJAP-FQEVSTJZSA-N 361.445 3.540 0 40 FHAB O=C(COc1ccc2ccccc2c1)N1CCN(Cc2ccccc2)CC1 21005273 AOKPSZBUUMMFLM-UHFFFAOYSA-N 360.457 3.563 0 40 FHAB CC1=C(C(=O)O[C@H](C)C(C)(C)C)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 706498 NXMVPKJCXSMFSL-IAQYHMDHSA-N 350.846 3.946 0 40 FHAB CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1ccccc1 904382 VTXKEKTXTLQRKU-UHFFFAOYSA-N 373.507 3.769 0 40 FHAB O=C(CSc1nnc(-c2ccccc2)o1)N1CCCc2ccccc21 917088 YDXWWWRAZDPCMT-UHFFFAOYSA-N 351.431 3.808 0 40 FHAB O=C(COC(=O)c1ccccc1)c1ccc(OC(=O)c2ccco2)cc1 992961 DRPPJYJNTXBBIY-UHFFFAOYSA-N 350.326 3.539 0 40 FHAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3c(c2)CCC3)c(C)c1 47653767 PQFJIWBAKNVWFF-UHFFFAOYSA-N 357.475 3.595 0 40 FHAB CSc1nc2cc3c(cc2n1C(=O)c1cccc(Cl)c1)OCCO3 33758053 JXNOIWSSMRDUSS-UHFFFAOYSA-N 360.822 3.871 0 40 FHAB O=C(c1ccc(F)c(F)c1)N1CCN(Cc2nc3ccccc3s2)CC1 24574617 XFPYUFPDODYSIU-UHFFFAOYSA-N 373.428 3.533 0 40 FHAB Cc1nc(CSCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cs1 12579964 RGNRLMHVQRHASA-CYBMUJFWSA-N 372.519 3.748 0 40 FHAB Cc1cc(OC(=O)[C@H]2CC[C@H](CN)CC2)c2c3c(c(=O)oc2c1)CCCC3 101325454 JWWMDJINDCECMT-GASCZTMLSA-N 369.461 3.651 0 40 FHAB CCOC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1 55600359 MYQWHRLPYTXISB-UHFFFAOYSA-N 372.805 3.848 0 40 FHAB CSc1ccccc1NC(=O)COC(=O)c1ccc(Br)o1 3241885 PYAOMMQRNDVBJH-UHFFFAOYSA-N 370.224 3.560 0 40 FHAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2ccccc2C(F)(F)F)CCC[C@H]1C 107551167 OGPVIWQXMCNQCZ-XUJVJEKNSA-N 357.372 3.803 0 40 FHAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)CCc1nc2ccccc2s1 3271061 NZBLJBULBDTOEV-ZIAGYGMSSA-N 360.479 3.562 0 40 FHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2ncnc3ccccc23)cc1 3245625 KCDPMQFFVPPFLW-GFCCVEGCSA-N 366.446 3.708 0 40 FHAB COc1cccc(OC)c1OCC(=O)N[C@@H](C)c1cc2ccccc2o1 22314745 LVVKHDIWGYBCJY-ZDUSSCGKSA-N 355.390 3.706 0 40 FHAB CC[C@H](Oc1cccc(C)c1)C(=O)N1CCN(c2ccccc2OC)CC1 20107919 SAJQBLPWYXAYLH-FQEVSTJZSA-N 368.477 3.510 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1CC 20042786 KIORNLIKXICCGC-OAHLLOKOSA-N 354.450 3.795 0 40 FHAB C[C@@H](Nc1ccc(OCc2ccccn2)c(Cl)c1)C(=O)N1CCCC1 58180026 XALPBXLIYFGFAD-CQSZACIVSA-N 359.857 3.737 0 40 FHAB CCOc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1OC 12603791 ODTXPMIBEKQDNI-KRWDZBQOSA-N 365.433 3.948 0 40 FHAB CCN(CC)CCCNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 3315873 WGXUSATWSLCSTK-UHFFFAOYSA-N 370.522 3.857 0 40 FHAB CCCC[C@H](CC)CN[C@@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)O 3354670 QDKTVLIHTGGCJU-BBRMVZONSA-N 354.878 3.928 0 40 FHAB O=C(CCCn1c(=O)oc2ccccc21)N[C@@H]1CCCc2ccccc21 3359592 DIMFUGTUMXHRMT-QGZVFWFLSA-N 350.418 3.569 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccccc1N1CCOCC1 58367768 RFIDSSPDDPGXHE-UHFFFAOYSA-N 365.408 3.771 0 40 FHAB O=C(COC(=O)c1nc(Cl)ccc1Cl)NCc1ccc(Cl)cc1 3367437 LYRWOZOHRLBOEH-UHFFFAOYSA-N 373.623 3.515 0 40 FHAB O=c1ccc(-c2cccs2)nn1Cc1cccc(OC(F)(F)F)c1 61720713 WKQHVTNTPJVWCQ-UHFFFAOYSA-N 352.337 3.919 0 40 FHAB CC[C@H]1SC2=NC(C)=C(C(=O)OC)[C@@H](c3ccc(Cl)cc3)N2C1=O 2463393 JVOCKWNHCVYOMY-TZMCWYRMSA-N 364.854 3.552 0 40 FHAB CC(C)[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccccc1 12769332 JMPQJVCAKHMYAJ-QFIPXVFZSA-N 350.462 3.869 0 40 FHAB COc1ccccc1OCCNC(=O)C1(c2ccc(Cl)cc2)CCC1 8343686 YTBYDQJZRAEARK-UHFFFAOYSA-N 359.853 3.966 0 40 FHAB C[C@@H](Sc1ccccc1)C(=O)N[C@@H](c1ccccc1)c1nccn1C 48324914 BYUIQOVFVVUPER-QAPCUYQASA-N 351.475 3.807 0 40 FHAB COc1ccc([C@@H]2CCCN2CC(=O)NCc2ccccc2Cl)cc1 12894800 JIMFUMFCHJPVPX-IBGZPJMESA-N 358.869 3.802 0 40 FHAB Cc1ccc(-c2csc(NC(=O)C[C@H](C)CC(=O)O)c2C(N)=O)cc1C 17076616 BCDZOBYBJXMTRN-JTQLQIEISA-N 374.462 3.570 0 40 FHAB Cc1ccc(S(=O)(=O)NCCCCOc2ccc(Cl)cc2)cc1 12850101 OWGDFMWHEDLHRI-UHFFFAOYSA-N 353.871 3.786 0 40 FHAB COc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(C)cc2)cc1 12993478 YSWQPZPSXFDCRF-UHFFFAOYSA-N 354.435 3.563 0 40 FHAB Cc1ccc(-c2nnc(S)n2CC(=O)N[C@@H](C)c2ccccc2C)cc1 12992066 QZYVJQYQOVUJBP-HNNXBMFYSA-N 366.490 3.728 0 40 FHAB Cc1cccc(-c2nc(CC(=O)NCc3ccc4c(c3)OCO4)cs2)c1 12974158 SEFGZQFIFLDKJL-UHFFFAOYSA-N 366.442 3.706 0 40 FHAB O=C(N1CCCCC1)C12CC3CC(C1)CC(C(=O)N1CCCCC1)(C3)C2 3897136 IZXYQYORASNARR-UHFFFAOYSA-N 358.526 3.598 0 40 FHAB COc1ccc(C(=O)Nc2nc([C@H]3COc4ccccc4O3)cs2)cc1 13721481 JLFLQQXQKPYONG-QGZVFWFLSA-N 368.414 3.917 0 40 FHAB Cc1ccc(N(Cc2ccco2)C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1 39975938 YIYWQNBBRALLJN-XLIONFOSSA-N 370.474 3.575 0 40 FHAB COc1ccc2ccc(OC)c(/C=C3\NC(=O)N(c4ccccc4)C3=O)c2c1 14010163 AJMOYIHCLPKIGZ-UYRXBGFRSA-N 374.396 3.954 0 40 FHAB C[C@H]1CN(Cn2nc(-c3cccs3)n(C3CC3)c2=S)C[C@H](C)O1 14185616 KWTQGPGAVGWKHJ-RYUDHWBXSA-N 350.513 3.544 0 40 FHAB Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)o1 6508041 XXTQQDANGHZKCW-UHFFFAOYSA-N 364.357 3.821 0 40 FHAB Cc1ccc(NC(=O)C(F)(F)F)c(-c2nc3ccc(C)cc3[nH]c2=O)c1 6657378 SGAZBSNAWWHSLK-UHFFFAOYSA-N 361.323 3.708 0 40 FHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)c1ccc[nH]1 5894379 DMLBIMVRAJEQBK-UHFFFAOYSA-N 362.744 3.810 0 40 FHAB CCNC(=O)[C@@H](C)OC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 7181617 FTZNAWPLHINORH-SNVBAGLBSA-N 355.312 3.647 0 40 FHAB COc1cccc(CN2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c1 20120883 AVVRYNGXQGBTEF-UHFFFAOYSA-N 359.857 3.698 0 40 FHAB O=C(NCC1(c2ccccc2)CCCC1)C1CCN(c2nccs2)CC1 9112603 XFJHGGDKDKIQTR-UHFFFAOYSA-N 369.534 3.988 0 40 FHAB COc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC3 15842159 RFIGUFZPCHJWED-UHFFFAOYSA-N 374.849 3.648 0 40 FHAB O=C(CSc1nnc(C2CC2)n1C1CC1)N1CCC[C@H]2CCCC[C@H]21 7550998 LRFZVOGKWDDAEN-CZUORRHYSA-N 360.527 3.764 0 40 FHAB CCn1cnnc1S[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 7868462 OJEQKLWCHOKASI-INIZCTEOSA-N 356.426 3.909 0 40 FHAB C=CCOc1ccc(CN(C)[C@H](C(=O)NC2CC2)c2ccccc2)cc1 7917296 CHDLBBJXLNTHPO-NRFANRHFSA-N 350.462 3.703 0 40 FHAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N(C)CC12CC3CC(CC(C3)C1)C2 16439249 QXIXMWGHCAVDHD-NEFAXPCMSA-N 358.530 3.512 0 40 FHAB COc1ccc(CCNC(=O)c2cc(Cl)nc3ccccc23)cc1OC 16601269 NTSCBMVSZDPFPI-UHFFFAOYSA-N 370.836 3.878 0 40 FHAB COc1ccc(Cl)cc1C(=O)NCCCN1CCc2ccccc2C1 29837508 HAIHRDODRXYKOT-UHFFFAOYSA-N 358.869 3.527 0 40 FHAB COc1cccc(CNc2nccn(Cc3ccc(Cl)cc3)c2=O)c1 9320295 PJDYOMNPKLQWNY-UHFFFAOYSA-N 355.825 3.566 0 40 FHAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@@H]1COc2ccccc2O1 9481722 KGVAAARVKOZOTC-SFHVURJKSA-N 353.374 3.507 0 40 FHAB Cc1ccc(F)cc1NC(=O)Cc1csc(NC(=O)c2ccco2)n1 9533105 UKWDAMZXJNIBNU-UHFFFAOYSA-N 359.382 3.617 0 40 FHAB Cc1cc(CN2CCC3(CC2)C[C@@H](CN2CCC(F)(F)CC2)O3)oc1C 306137839 RHTMYTCORCHNRM-SFHVURJKSA-N 368.468 3.751 0 40 FHAB CC(=O)NC(C)(C)c1noc(CCCOc2cccc3ccccc23)n1 72546770 FTAVMQXDLLZDKQ-UHFFFAOYSA-N 353.422 3.606 0 40 FHAB S=C(NC[C@H]1CCCO1)N1CC=C(c2cccc3ccccc23)CC1 84598295 MDGINKHFLOJROG-GOSISDBHSA-N 352.503 3.982 0 40 FHAB Cc1ccc(CN2CCN(C(=O)c3cccc(-c4ccco4)c3)CC2=O)cc1 77440331 KFJRORANPLKASK-UHFFFAOYSA-N 374.440 3.740 0 40 FHAB O=C(/C=C/c1csc(-c2ccc(F)cc2)n1)N1CCC[C@H]2COCC[C@@H]21 95410796 RJVRLQFJZYVXOX-KJTGTQQJSA-N 372.465 3.990 0 40 FHAB O=S(=O)(Nc1c(Cl)ccc2nsnc12)c1ccc(Cl)s1 95402685 OAARAYFUEBYACL-UHFFFAOYSA-N 366.276 3.860 0 40 FHAB Cc1nnc(-c2ccccc2NC(=O)c2ccc3nc(C)c(C)nc3c2)o1 78911855 OWXHKKLSVVOKLS-UHFFFAOYSA-N 359.389 3.857 0 40 FHAB FC(F)n1ccnc1CN1CCN([C@@H]2CCCCc3ccccc32)CC1 86230362 GRPGPWNSIUXUMO-GOSISDBHSA-N 360.452 3.864 0 40 FHAB CCOC(=O)Nc1cccc(C(=O)N2CCCc3cc(OC)ccc32)c1 24876255 OYEPASIMDZMQDO-UHFFFAOYSA-N 354.406 3.857 0 40 FHAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)COc1ccccc1Cl 20144561 BTNKOHUALLHPPV-UHFFFAOYSA-N 370.188 3.718 0 40 FHAB COc1cccc(-c2ccc3nc([C@@H]4CCCN(CC5CC5)C4)nn3c2)c1 306140582 UXSNCMPMHXROKW-LJQANCHMSA-N 362.477 3.994 0 40 FHAB Cn1cccc(C(=O)N[C@@H](c2ccccc2)[C@H]2CCCc3ccccc32)c1=O 505466617 BFZDTOWGWSKTCZ-UNMCSNQZSA-N 372.468 3.977 0 40 FHAB Cc1cc(C)n(C[C@H](C)C(=O)N[C@@H]2[C@@H]3CCC[C@H]3[C@@H]2c2ccccc2)n1 409412854 SUMNUBBZRYWASY-GAGZULNGSA-N 351.494 3.835 0 40 FHAB Cc1cn([C@@H](C)c2ccccc2)[nH]c1=NC(=O)N1CCc2ccccc2CC1 527315721 WITIQWXNCUVQDP-SFHVURJKSA-N 374.488 3.855 0 40 FHAB c1ccc(CCCN2CCC[C@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 72377924 NUWVSEHCDVMSJX-IBGZPJMESA-N 374.492 3.822 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2OC(C)C)cc1 72211969 WWOJHCSMIBTIDK-SFHVURJKSA-N 360.479 3.703 0 40 FHAB c1ccc(Cn2cc(CNCCCn3ccnc3)c(-c3ccccc3)n2)cc1 39942238 RITMMDUKMUNLLW-UHFFFAOYSA-N 371.488 3.975 0 40 FHAB COc1cc(OC)cc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1 218896770 OMCRREDISMHNRP-SFHVURJKSA-N 371.433 3.501 0 40 FHAB CC[C@H](NS(=O)(=O)Cc1ccccc1F)c1ccc(OC)c(C)c1 224297402 GDRSOZCJZFHGOI-KRWDZBQOSA-N 351.443 3.713 0 40 FHAB CCCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCOCC1 41095094 FHFTZJKNSAJNMT-UHFFFAOYSA-N 369.527 3.574 0 40 FHAB CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224804614 WFWMSNCWVUHBSE-UHFFFAOYSA-N 369.870 3.881 0 40 FHAB COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(-c3nc4ccccc4o3)c2)C1 45887393 NDIUQRHEWROZFD-LLVKDONJSA-N 370.792 3.674 0 40 FHAB Cc1ccc(C)c(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)c1 225471902 CWXJIOIKUBCCHB-LJQANCHMSA-N 366.505 3.788 0 40 FHAB Cc1ccc(C(=O)Nc2ccc(F)cc2)c(I)c1 140584166 OKCUVNOXNMZKBV-UHFFFAOYSA-N 355.150 3.991 0 40 FHAB O=C(NC1CC1)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 96146534 HVJCSAIEYXFXKD-UHFFFAOYSA-N 371.444 3.677 0 40 FHAB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@H]2C(=O)O)cc1 242728184 YXAHSTPDEVDJBO-IKGGRYGDSA-N 364.850 3.543 0 40 FHAB Cc1ccc(F)cc1-c1n[nH]c(=NC(=O)N2CCCc3occc3C2)s1 585083914 BXYZMGUQKCADCF-UHFFFAOYSA-N 372.425 3.648 0 40 FHAB O=C(c1ncccc1OCC(F)(F)F)N1CCc2cc(Cl)ccc21 585082433 SQLSIFSOILVZCH-UHFFFAOYSA-N 356.731 3.879 0 40 FHAB CC(=O)c1cn(CC(=O)NCCc2ccc(Cl)cc2)c2ccccc12 85558619 SAALPNSCVFGDQV-UHFFFAOYSA-N 354.837 3.856 0 40 FHAB CN(C(=O)c1nc2cccnc2s1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 278692969 PIVJFNIYPNVARD-GDBMZVCRSA-N 371.437 3.823 0 40 FHAB O=C(N=c1[nH]nc(-c2cc3ccccc3o2)s1)NCC[C@@H]1CC1(F)F 621458080 PASNHEJOJFSODD-SNVBAGLBSA-N 364.377 3.540 0 40 FHAB CCN(CC)CCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccc(C)cc1 95116051 DOZHWDWTODHBFN-IBGZPJMESA-N 353.466 3.998 0 40 FHAB Cc1ccc(-n2cnnn2)cc1NC(=O)N[C@H](C)c1cccc(Cl)c1 47926966 AUBNIOLTJFDZCW-GFCCVEGCSA-N 356.817 3.507 0 40 FHAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(-c2cnco2)cc1 54055736 SONXCCNDOCSXMN-QGZVFWFLSA-N 351.406 3.502 0 40 FHAB CN(C)C(=O)C[C@H](CSc1ccccc1)NC(=O)OCc1ccccc1 65740479 ZEGCMFVLMOXSFW-QGZVFWFLSA-N 372.490 3.552 0 40 FHAB in-vitro CC(C)Cc1ccc([C@@H](C)NC(=O)CSc2nnc3ccccn23)cc1 5213003 OURMZCBLXAJAIQ-OAHLLOKOSA-N 368.506 3.897 0 40 FHAB Cc1ccc(C(=O)Nc2cccc(C)c2C)cc1N1CCCCS1(=O)=O 5439663 RQCKQEGJROSLBO-UHFFFAOYSA-N 372.490 3.794 0 40 FHAB CC1(C)Cc2nc3oc4c(NCc5ccncc5)ncnc4c3cc2CO1 13207189 HJZKCWONXJYWPI-UHFFFAOYSA-N 361.405 3.629 0 40 FHAB Cc1nccn1CCCC(=O)N[C@H](Cc1ccsc1)c1nccs1 19288113 NTIDZUDBTIOQAI-OAHLLOKOSA-N 360.508 3.590 0 40 FHAB COc1ccc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)c(OC)c1 19552291 LAHDYYNMZFHNOU-INIZCTEOSA-N 351.450 3.960 0 40 FHAB NC(=O)c1cc(Cl)c(OCc2ccccc2F)c(Br)c1 226340214 WHSFWPGZBYMSNA-UHFFFAOYSA-N 358.594 3.920 0 40 FHAB Cc1cccc(NC(=O)CS(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 19647308 MWQHWOZCBAKANJ-UHFFFAOYSA-N 372.273 3.855 0 40 FHAB CCc1ccc(N2C[C@@H](C(=O)N(Cc3cccs3)C3CC3)CC2=O)cc1 30841752 BMTWVBNVYMAEEN-INIZCTEOSA-N 368.502 3.855 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCCSc3ccccc32)c1C 32511353 BRSIHOPDJUSJDH-UHFFFAOYSA-N 372.490 3.993 0 40 FHAB Cc1c(Cl)cccc1NC(=O)C[C@@H](NCCC1=CCCCC1)C(=O)O 4280135 YUIBTTUNIFTVTD-QGZVFWFLSA-N 364.873 3.910 0 40 FHAB CCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1-n1cccc1 4518541 APTVODWWNWFSCL-UHFFFAOYSA-N 369.494 3.637 0 40 FHAB Cc1ccn(-c2ccc(Nc3ccc(NC(=O)c4ccccc4)cc3)nn2)n1 13009618 JUPODUKCPGASQK-UHFFFAOYSA-N 370.416 3.967 0 40 FHAB COc1cccc2c(SCC(=O)NCc3ccc(F)cc3)nccc12 36708185 OSMWPWYQZBUYJR-UHFFFAOYSA-N 356.422 3.791 0 40 FHAB O=C(CCSc1ccccc1)NCC1CCN(c2ccccn2)CC1 43975899 NAXRKEZYIITYCB-UHFFFAOYSA-N 355.507 3.597 0 40 FHAB COc1cccc2cc(C(=O)NCC[C@H](CCO)c3cccs3)oc12 575608806 ZCGUVBDDLRPETD-CYBMUJFWSA-N 359.447 3.789 0 40 FHAB CCNC(=O)c1ccccc1NC(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 28010564 SRCVDEXRKPHDAN-FRQCXROJSA-N 360.498 3.852 0 40 FHAB COc1cc(CNC(=O)c2cccc(C)c2)ccc1OCc1cccnc1 31711827 NINZUOLNAMCTKL-UHFFFAOYSA-N 362.429 3.908 0 40 FHAB O=C(COC(=O)c1cccc(Cl)c1)NCc1ccc(F)c(Cl)c1 51356153 ZSTBGEHRJLWUEL-UHFFFAOYSA-N 356.180 3.606 0 40 FHAB Cc1cc(C(=O)CCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c(C)s1 8327255 VKHIWNYDUSVPQS-UHFFFAOYSA-N 370.474 3.859 0 40 FHAB Cc1nn(CC(C)C)c(C)c1CCC(=O)NC1CC(C)(C)NC(C)(C)C1 29787992 NEVSNFDQIUHUND-UHFFFAOYSA-N 362.562 3.514 0 40 FHAB CSc1nc2nc3c(cc2c(=O)n1-c1cccc(C)c1)COC(C)(C)C3 1306558 XFUZUNJXDCQSTK-UHFFFAOYSA-N 367.474 3.662 0 40 FHAB COc1ccc2cc(CN(Cc3ccccc3Cl)C(C)=O)c(=O)[nH]c2c1 1366700 HPQCAGGXWWSPNM-UHFFFAOYSA-N 370.836 3.739 0 40 FHAB CCCc1nc2ccccc2c(C(=O)OCC(=O)NC2CCCC2)c1CC 2631533 LXBZHCSQBCPGEH-UHFFFAOYSA-N 368.477 3.965 0 40 FHAB C[C@H](NC(=O)CSCc1nc(-c2ccccc2)no1)c1ccccc1 32778897 RPYITRQUULZRQA-AWEZNQCLSA-N 353.447 3.847 0 40 FHAB C[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccc(I)cc1 4409157 UKUJCWUKFVTSPO-UHIISALHSA-N 357.235 3.846 0 40 FHAB COc1ccc(C)cc1-n1nnnc1SCC(=O)c1ccc(Cl)cc1 2633904 BUOWLNAHTXTVEK-UHFFFAOYSA-N 374.853 3.608 0 40 FHAB COc1ccc(-c2noc(CCC(=O)Nc3ccc(C)c(F)c3)n2)cc1 4933053 OYWPQXWJAXYXQE-UHFFFAOYSA-N 355.369 3.764 0 40 FHAB O=C(CCc1ccc2c(c1)OCCO2)Nc1nc2c(s1)CCCCC2 32885740 SKMIYAPCOCHLLY-UHFFFAOYSA-N 358.463 3.755 0 40 FHAB CCOc1ccc(NC(=S)NC[C@H](c2ccccc2OC)N(C)C)cc1 6334192 DZJPGNQGOMBEMU-GOSISDBHSA-N 373.522 3.683 0 40 FHAB C[C@H](OC(=O)c1ccc2cc(O)ccc2c1)c1nc2ccccc2c(=O)[nH]1 8216886 YPWONRPQXGDDRD-LBPRGKRZSA-N 360.369 3.700 0 40 FHAB O=C(c1cnn(-c2ccc(Cl)cc2)c1-n1cccc1)N1CCSCC1 22518954 CESYTJTUUWELAY-UHFFFAOYSA-N 372.881 3.505 0 40 FHAB COc1ccccc1-c1nnc2ccc(Oc3cccc(C(C)=O)c3)nn12 12410043 HLFOBSFOBXVXEQ-UHFFFAOYSA-N 360.373 3.795 0 40 FHAB O=C(Nc1ccc(C(=O)N2CCc3sccc3C2)s1)c1ccco1 23757614 WAABVHFSEVLYBO-UHFFFAOYSA-N 358.444 3.853 0 40 FHAB COc1ccc(CN(C)C(=O)c2c[nH]nc2-c2ccc(F)cc2)cc1F 12520464 ITBLDJNJGPKSOB-UHFFFAOYSA-N 357.360 3.636 0 40 FHAB Cc1cccc(N2CCN(C(=O)/C=C/c3cnn(-c4ccccc4)c3)CC2)c1 12548817 GPIJAZALHQRMCF-ZHACJKMWSA-N 372.472 3.543 0 40 FHAB COC(=O)C[C@H](NC(=O)CCn1ccc2ccccc21)c1cccs1 25086697 VHBDFXFKOOGMRK-HNNXBMFYSA-N 356.447 3.514 0 40 FHAB Cc1cc2cc(NC(=O)CCC(=O)N3CCc4sccc4C3)ccc2[nH]1 56329990 USDSBTQCSZILIN-UHFFFAOYSA-N 367.474 3.841 0 40 FHAB COC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 57412081 ATWXNQYXVZYCLQ-UHFFFAOYSA-N 355.781 3.769 0 40 FHAB CCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1OC)C2=O 2062763 HEHFGJWBILWQTK-UHFFFAOYSA-N 367.401 3.843 0 40 FHAB Cc1cnc(NC(=O)[C@H]2CCC[C@H](C(=O)Nc3ncc(C)s3)C2)s1 58197905 VHTRDVXYAYXBPA-RYUDHWBXSA-N 364.496 3.600 0 40 FHAB COCC(=O)Nc1ccc(NC(=O)N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 58162777 FFELXQALUPKUFV-FHLIZLRMSA-N 361.486 3.854 0 40 FHAB O=C(CCC(=O)c1cccs1)NC[C@H](O)c1ccccc1C(F)(F)F 58342681 TWFNQCMWFSECLW-AWEZNQCLSA-N 371.380 3.580 0 40 FHAB C[C@H]1CCCN(C(=O)CSc2nnc(NCc3ccccc3)s2)C1 3318844 HCVQLCAPAFOYQP-ZDUSSCGKSA-N 362.524 3.501 0 40 FHAB C[C@H](NC(=O)C[S@@](=O)C/C=C/c1ccccc1)c1ccc(F)cc1F 24828900 HOXIDNJOPVDOJF-ZBZROTEISA-N 363.429 3.604 0 40 FHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 20043749 GHYZVIPSJIKEHT-KDOFPFPSSA-N 373.449 3.747 0 40 FHAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)COc2ccc(Cl)cc2)C1 11001695 OEGOFJRHWRUWOW-OAHLLOKOSA-N 372.852 3.596 0 40 FHAB CCOc1ccc([C@H]2C[C@H](c3cccc(OC)c3)n3ncnc3N2)cc1 2409509 APALPPPIBSPXIW-RTBURBONSA-N 350.422 3.832 0 40 FHAB CCN(CC(=O)Nc1ccc(C)cc1Cl)Cc1ccc2c(c1)OCO2 11351650 WNVHRKIJGQRNCJ-UHFFFAOYSA-N 360.841 3.838 0 40 FHAB Cc1nc(-c2ccsc2)sc1C(=O)NC[C@H]1COc2ccccc2O1 12875225 LARLTJXFLVMSOC-ZDUSSCGKSA-N 372.471 3.750 0 40 FHAB O=C(COC(=O)c1ccc2ccccc2n1)c1ccc(OC(F)F)cc1 3513802 HQXWBPBMSNLNAW-UHFFFAOYSA-N 357.312 3.876 0 40 FHAB Cn1c(SCC(=O)C2CCCCC2)nc2sc3c(c2c1=O)CCC3 12987904 YULBWSWMFLPXMK-UHFFFAOYSA-N 362.520 3.725 0 40 FHAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 409077954 GPVGJVCLIJFUMH-UVTDQMKNSA-N 350.871 3.778 0 40 FHAB Nc1nc2n(n1)[C@H](c1c(F)cccc1Cl)C[C@H](c1ccc(F)cc1)N2 13131472 AXWXXRPVAUOWKM-KGLIPLIRSA-N 361.783 3.938 0 40 FHAB aggregator CCCSc1nnc(-c2cnn(-c3ccccc3)c2-n2cccc2)n1C 4050350 XUWDHGOLCNSYRM-UHFFFAOYSA-N 364.478 3.961 0 40 FHAB COc1ccc(NC(=S)Nc2ccc(Br)cn2)cc1OC 6398570 QZKGMHSDXLKIPY-UHFFFAOYSA-N 368.256 3.670 0 40 FHAB Cc1cc(=O)oc2cc(NC(=O)c3cc4c(C)nn(C)c4s3)ccc12 14053984 IATRULPCUGCRFL-UHFFFAOYSA-N 353.403 3.610 0 40 FHAB CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCCN2CCCCC2)cc1 14197242 LQPBSDTZOIEHER-UHFFFAOYSA-N 361.486 3.639 0 40 FHAB COC(=O)c1cccc(-c2ccc(/C=C3\SC(=O)N(C)C3=O)o2)c1C 408806216 AFSPSEQZIHYPDL-DHDCSXOGSA-N 357.387 3.708 0 40 FHAB C[C@H](C(=O)N1CCc2ccccc2C1)N(C)Cc1c(F)cccc1Cl 14202226 LWBNVUHUGZEECQ-CQSZACIVSA-N 360.860 3.884 0 40 FHAB COc1cc(OC)cc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)c1 5497460 YOOQNJWVVMTLPW-NSHDSACASA-N 365.813 3.772 0 40 FHAB O=C([C@H](Sc1nc(-c2cccs2)n[nH]1)c1ccccc1)N1CCCC1 5473102 KWALRTLLJAKCJX-OAHLLOKOSA-N 370.503 3.989 0 40 FHAB CCN(CC)C(=O)C(=O)c1c(-c2ccc(OC)cc2)cc2ccccn12 408677088 PZFWSGHLTSGNEK-UHFFFAOYSA-N 350.418 3.666 0 40 FHAB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1ccc(F)cc1F 6864842 KEAHVNOLEKERAC-UHFFFAOYSA-N 371.372 3.515 0 40 FHAB C[C@@H]([C@@H](O)c1ccccc1)N(C)S(=O)(=O)c1ccc2ccccc2c1 4931828 UGDOTBUQVPPZOK-MGPUTAFESA-N 355.459 3.582 0 40 FHAB CC(C)NC(=O)CSc1nc(Nc2ccccc2)c2ccccc2n1 5969120 PJZNGXVDWKNEST-UHFFFAOYSA-N 352.463 3.990 0 40 FHAB CC(C)(C)C1CCC(NC(=O)C(=O)NCc2cccc(Cl)c2)CC1 408710355 ZBCNQJLMXBIXLT-UHFFFAOYSA-N 350.890 3.677 0 40 FHAB Cc1ccc(C(=O)CCC(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1 15528516 JBHHZJPVLAAKRK-UHFFFAOYSA-N 366.461 3.672 0 40 FHAB CCN(Cc1cccc(F)c1)C(=O)CSc1nnc(C2CC2)n1C1CC1 7550769 QTDSTJZWYXFWGB-UHFFFAOYSA-N 374.485 3.770 0 40 FHAB Nn1c(COc2ccccc2F)nnc1SCc1cccc(Cl)c1 8187165 HTPJAYVJRUCPNO-UHFFFAOYSA-N 364.833 3.656 0 40 FHAB C[C@@H](Sc1ncnc2ccccc12)C(=O)N(C)Cc1cccc(F)c1 9499918 VKEHRXNBCAQNBA-CYBMUJFWSA-N 355.438 3.908 0 40 FHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc2ccccc2c(Cl)n1 83862674 HVKACFQYADXQBV-UHFFFAOYSA-N 368.820 3.932 0 40 FHAB CN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 83847967 LHXPXXVXZQEZPX-NUEKZKHPSA-N 354.416 3.752 0 40 FHAB Cc1cc(CCCc2nc(CC(=O)NC3CCCCC3)no2)c(C)s1 84507459 OZTARUGWRBCYHB-UHFFFAOYSA-N 361.511 3.915 0 40 FHAB C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1cc[n+]([O-])cc1)C1CC1 78262109 BADZBVDVQHLPNH-GFCCVEGCSA-N 350.340 3.705 0 40 FHAB O=C(NCC1(c2ccc(Cl)cc2)CCCC1)[C@@H]1CCCN1C(=O)C1CC1 98109677 SQZKNXGFJKYLGQ-SFHVURJKSA-N 374.912 3.669 0 40 FHAB COC(=O)c1cc(NC(=O)c2cccc3c2O[C@H](C)[C@H]3C)cc(F)c1F 75093539 KUIKOZYQXOQPKN-NXEZZACHSA-N 361.344 3.888 0 40 FHAB COC(=O)[C@H]1CCC[C@H]1NC(=O)Nc1ccccc1COc1ccccc1 75109832 RPIYJYCQFQSCEU-PKOBYXMFSA-N 368.433 3.729 0 40 FHAB Cc1occc1C(=O)N1CC[C@@]2(CCn3c(-c4cccs4)cnc32)C1 306138644 SDLSISPNVLYTJK-LJQANCHMSA-N 353.447 3.701 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)c(C)c1 219539049 GRSIAFNQLCIFRR-AWEZNQCLSA-N 371.462 3.841 0 40 FHAB CCOc1ccc(-c2nnc3n2N[C@@H](c2ccc(OC)cc2)S3)cc1 3843246 DFHFEMKPYSUBHX-QGZVFWFLSA-N 354.435 3.700 0 40 FHAB biogenic Cc1ccc(CC(=O)Nc2nnc(-c3cccc(Br)c3)o2)cc1 36681338 GIDKDRADUGQFIJ-UHFFFAOYSA-N 372.222 3.989 0 40 FHAB COc1ccc(-c2cc(CC3(NCc4ccc(F)cc4)COC3)no2)cc1 72321953 HOUXBWRZZLLUBX-UHFFFAOYSA-N 368.408 3.591 0 40 FHAB biogenic,in-vitro Cc1ccc(NC(=S)Nc2ccc(S(C)(=O)=O)cc2)cc1Cl 71761803 VINDVKUXYIONOA-UHFFFAOYSA-N 354.884 3.861 0 40 FHAB CC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCCCC1 217450406 DLRZUHZAPRYHAP-ZDUSSCGKSA-N 368.499 3.596 0 40 FHAB CS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1 39969513 ZMHALKIEQAOQTF-UHFFFAOYSA-N 359.378 3.742 0 40 FHAB O=c1n(Cc2ccccc2F)c2ccccc2c2nc(-c3ccccc3)nn12 64977833 HLNCXVNAZFGPKA-UHFFFAOYSA-N 370.387 3.899 0 40 FHAB O=C(NC1CCCC1)c1cc([C@H]2CCCCN2CCc2ccccc2)n[nH]1 72380536 QZXBZTLECWIKNS-OAQYLSRUSA-N 366.509 3.852 0 40 FHAB CC1CCN(C[C@@H](O)COCC(c2ccccc2)c2ccccc2)CC1 40373060 SSVNURBAVCWUAX-JOCHJYFZSA-N 353.506 3.928 0 40 FHAB Cc1ccc(OCC(=O)Nc2c(C)cc(N)cc2Br)cc1C 227145235 FBDADTKUGCBNJS-UHFFFAOYSA-N 363.255 3.974 0 40 FHAB COc1ccc(CCCNC(=O)Cc2ccc(Cl)cc2F)cc1OC 223997287 LOCUYQHSJZFIHR-UHFFFAOYSA-N 365.832 3.788 0 40 FHAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 225782372 GOJJVEIVFIHWQA-MBYKIRNVSA-N 364.445 3.664 0 40 FHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 223383274 HYDVWIFDEGPMKW-AWEZNQCLSA-N 352.434 3.930 0 40 FHAB c1ccc(-c2cn3c(COc4ccc5c(c4)OCO5)nnc3s2)cc1 45221583 IOBDHKOCBSDGMZ-UHFFFAOYSA-N 351.387 3.766 0 40 FHAB COc1ccc2c(-c3ccccc3)c(C(=O)N[C@@H](CCN)C(F)F)oc2c1 576871940 BJRAMSGQDUJVSN-HNNXBMFYSA-N 374.387 3.821 0 40 FHAB Cc1ccc(OC2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)nn1 96119408 UQFOELYJUGMGOP-UHFFFAOYSA-N 366.248 3.775 0 40 FHAB O=C(NCc1cccc(F)c1)N1CC[C@H](c2noc(-c3cccs3)n2)C1 238860739 KPIQRCNCAUGPSH-ZDUSSCGKSA-N 372.425 3.636 0 40 FHAB C=CC(=O)Nc1ccc(O)c(C(=O)N(C)[C@H](C)c2cc(F)ccc2F)c1 1595403216 PKAMVLYHTVHHFY-LLVKDONJSA-N 360.360 3.628 0 40 FHAB O=C(CC1CCC2(CC1)CCN(Cc1cccnc1)CC2)N1CC=CC1 96049280 GXOFHXMBTUAZOK-UHFFFAOYSA-N 353.510 3.643 0 40 FHAB CON(C)C(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 257173884 ZYOVLSDBYQUXLX-ROUUACIJSA-N 372.490 3.705 0 40 FHAB O=C(c1cncs1)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257263995 LSJYRTVLLLWKNH-OAHLLOKOSA-N 357.410 3.838 0 40 FHAB Cc1nc(CN2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)cs1 257251655 JRPJBTDEJVXJEG-PMACEKPBSA-N 358.507 3.792 0 40 FHAB Cc1cccc(Nc2cc([C@H]3CCCCN3Cc3ncc[nH]3)nc(C)n2)n1 257272286 NBURXNBHFRYRPR-QGZVFWFLSA-N 363.469 3.682 0 40 FHAB Cc1ccc(Nc2nc([C@H]3CCCN(Cc4ncc[nH]4)C3)cs2)nc1 257247437 IZAHNUDWNUUNHO-AWEZNQCLSA-N 354.483 3.693 0 40 FHAB Cc1cccc(C(=O)N2CCC(c3ccnc(Nc4ccccn4)c3)CC2)n1 257201909 AJPMGQCMNDGVSI-UHFFFAOYSA-N 373.460 3.943 0 40 FHAB C[C@H](O)c1ccc(-c2n[nH]c(S[C@H](C)C(=O)c3ccccc3)n2)cc1 1776005406 BHSDYDVRCGISPJ-QWHCGFSZSA-N 353.447 3.889 0 40 FHAB CCCSCc1nnc2sc(-c3cncc(Br)c3)nn12 1776111059 RSWJGJVDTDFHKQ-UHFFFAOYSA-N 370.301 3.654 0 40 FHAB CC(C)(C)c1noc([C@H]2CCN(c3ccccc3Br)C2=O)n1 109522912 KOSDTXFVDNKJKL-SNVBAGLBSA-N 364.243 3.650 0 40 FHAB Cc1cc(-c2noc([C@H]3CC(=O)N(CCc4ccccc4)C3)n2)ccc1F 109556589 CMBGYUAFXUXYPO-KRWDZBQOSA-N 365.408 3.743 0 40 FHAB C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)NCc1cccnc1 623334802 IJSBTRZTQNHIPE-XJKSGUPXSA-N 374.282 3.932 0 40 FHAB Cc1nc(C)c(CNC(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)o1 585090953 DPJUDUDDCNQIKQ-UHFFFAOYSA-N 368.355 3.928 0 40 FHAB CC(C)c1nc2cc(NC(=O)c3ccc(Cn4cncn4)cc3)ccc2o1 48286634 NJVCHPCBIAUMNS-UHFFFAOYSA-N 361.405 3.843 0 40 FHAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCCN1C(=O)c1cc[nH]c1 68392578 GUUROEVXWXANGZ-OAHLLOKOSA-N 366.248 3.955 0 40 FHAB O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1ccc(F)cc1 5900805 XFFAQIQSAYJZRJ-UHFFFAOYSA-N 360.344 3.879 0 40 FHAB CC(C)c1ccc(CN2CCc3nc4cc(C5CC5)nn4c(O)c3C2)cc1 12220485 JHIDMZRREFIBIG-UHFFFAOYSA-N 362.477 3.994 0 40 FHAB Cc1cc(C(=O)N2CCN(c3nc4c(C(C)C)cccc4s3)CC2)on1 12422476 RKSJTRAGEXJHOE-UHFFFAOYSA-N 370.478 3.679 0 40 FHAB O=C(CCc1cnn(-c2ccccc2)c1)OCc1nnc(-c2ccccc2)o1 16257747 QQTYDNLSSFDDGF-UHFFFAOYSA-N 374.400 3.598 0 40 FHAB S=C1N[C@]2(CS1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 16712018 PYQOBJOYXXTDQX-YJBOKZPZSA-N 353.472 3.505 0 40 FHAB O=C(COC[C@@H]1CCCCO1)N[C@H]1[C@@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 19373821 LKBLVJDAOFNYSY-GVMRPCBKSA-N 357.494 3.661 0 40 FHAB Brc1ccccc1CN1CCN(C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 19889650 FPFAVNASDIGYQB-SOLBZPMBSA-N 361.327 3.779 0 40 FHAB COc1ccccc1/C=C1\N=C(c2ccc(Br)cc2)OC1=O 1516119 AZLXTIWLKRATSY-UVTDQMKNSA-N 358.191 3.802 0 40 FHAB CCOc1ccc(C2=N/C(=C/c3ccc(OC)cc3)C(=O)O2)cc1OCC 3571541 VLVLGRMXTWKRLX-SFQUDFHCSA-N 367.401 3.837 0 40 FHAB CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O 6326922 HQORPMUYDFEVCZ-NTUHNPAUSA-N 353.827 3.576 0 40 FHAB COc1cc(C2=N/C(=C\c3ccc(Cl)cc3)C(=O)O2)cc(OC)c1OC 4588139 LCRCHHKLPAYEHK-ZSOIEALJSA-N 373.792 3.710 0 40 FHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCO[C@@H]2CCC[C@@H]21 620432675 SMVBWVFHEDUJHT-UONOGXRCSA-N 364.804 3.836 0 40 FHAB Cc1ccccc1[C@H](NC(=O)c1cnc(C(C)(C)C)nc1)c1ccncc1 12148529 DESJSDPYUUSBHZ-LJQANCHMSA-N 360.461 3.997 0 40 FHAB O=S(=O)(Nc1ccccc1-c1cccs1)c1ccc2c(c1)OCCO2 10512197 QHKXCZKYLIIEPT-UHFFFAOYSA-N 373.455 3.987 0 40 FHAB Cc1nc(N2CC(Cn3ccnc3C)C2)c2c3c(sc2n1)CCCC3 1889166617 FSFSGGLCNDVAHR-UHFFFAOYSA-N 353.495 3.520 0 40 FHAB COc1cc2ccccc2cc1C(=O)Nc1ccccc1SCC(N)=O 14094375 YXLAOMQNOPFBPC-UHFFFAOYSA-N 366.442 3.678 0 40 FHAB O=C(COc1ccccc1)NCCSc1ncc(-c2ccc(F)cc2)[nH]1 4315728 PITSVIKLFIOFBH-UHFFFAOYSA-N 371.437 3.503 0 40 FHAB COc1ccc(OCC(=O)Nc2ccc(N3CCCCC3=O)c(C)c2)cc1 5441424 XQPOUOUAVUHZIC-UHFFFAOYSA-N 368.433 3.538 0 40 FHAB Cc1cc(OCC2CCN(C(=O)Cn3ccc4ccccc43)CC2)ccn1 1775967973 HKOZVPFDMGFUGJ-UHFFFAOYSA-N 363.461 3.662 0 40 FHAB O=C([C@@H]1CCCCO1)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 1889980409 WFQDUOHXPWFQNN-FQEVSTJZSA-N 365.477 3.782 0 40 FHAB COc1ccc(-c2csc(NC(=O)c3ccnn3C(C)C)n2)cc1OC 36701764 AKPIJGVKQBEAFS-UHFFFAOYSA-N 372.450 3.857 0 40 FHAB O=C(NCC1CCN(c2ccccn2)CC1)C1(c2cccs2)CCCC1 43976035 QWKPGUQSDHNWAM-UHFFFAOYSA-N 369.534 3.988 0 40 FHAB CC(C)(C)[C@H]1CNC(=O)[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1 585149879 WSLUZDGGQQSUTH-RBUKOAKNSA-N 366.461 3.612 0 40 FHAB CCOc1ncccc1CNC(=O)c1csc(-c2ccc(C)cc2)n1 30308305 JBCYFYHFSWNVOC-UHFFFAOYSA-N 353.447 3.842 0 40 FHAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)NC2CC2)c1C 7054326 NYPLFVLQKPCUFH-UHFFFAOYSA-N 372.490 3.613 0 40 FHAB CCc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1C 779183 SZLNHXPTTVWEPF-UHFFFAOYSA-N 366.490 3.699 0 40 FHAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)NCc1ccccc1 2635478 JWZOJVQGVXXJBU-UHFFFAOYSA-N 359.425 3.678 0 40 FHAB C[C@H]1CCc2c(sc(NC(=O)c3cccc(F)c3F)c2C(N)=O)C1 998766 DIBOYMQKLUVMSU-QMMMGPOBSA-N 350.390 3.502 0 40 FHAB COc1ccc(/C=C/C(=O)OCC(=O)c2ccc(Cl)cc2)cc1OC 1948811 INWAOSGMLSDUOA-ONNFQVAWSA-N 360.793 3.797 0 40 FHAB Cc1nn(CCc2nnc([C@@H](C)n3ncc(Cl)c3C)o2)c(C)c1Cl 2788234 MSDIAWWVFLIHAS-LLVKDONJSA-N 369.256 3.547 0 40 FHAB O=C(Nc1nccs1)c1ccn(COc2ccc(Cl)cc2Cl)n1 2793686 FSZDNSUIDKQTLB-UHFFFAOYSA-N 369.233 3.935 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OC[C@H]3CCCO3)cc12 32666672 PYTYESFAKHJRED-CQSZACIVSA-N 360.410 3.870 0 40 FHAB CCOc1ccc(C(=O)NCCc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 3911884 PZUHKPZGUAMWCH-UHFFFAOYSA-N 364.445 3.516 0 40 FHAB COc1ccc(CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 32797705 CVAPIBSOHOVKMS-UHFFFAOYSA-N 360.262 3.523 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)N2C[C@H](C)O[C@H](C)C2)c1 32799588 TUBNICCBRGFMGQ-MRUHUIDDSA-N 366.461 3.678 0 40 FHAB Cc1ccc(C)c(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)OCCCO3)c1 32719112 LJEMFBVJMOAYFD-OAHLLOKOSA-N 354.402 3.893 0 40 FHAB CCCCOc1ccc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)cc1 4966188 XMHMPUJPHCYXEV-INIZCTEOSA-N 354.454 3.511 0 40 FHAB COC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1c(F)cccc1F 6317827 IGHSOCAKXPYCOJ-KRWDZBQOSA-N 374.412 3.848 0 40 FHAB COc1ccccc1N1CCN(C(=O)c2cc(C)nc3ccccc23)CC1 8392014 ORNIYUVXXKVVSU-UHFFFAOYSA-N 361.445 3.514 0 40 FHAB O=C1CCc2cc(OC[C@H](O)COc3ccc4ccccc4c3)ccc2N1 32824159 ZWAMAZNEOOJBIA-GOSISDBHSA-N 363.413 3.543 0 40 FHAB COC(=O)c1cnc(NC(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)s1 32843456 NJEPBQGBKRKXDV-LLVKDONJSA-N 370.430 3.834 0 40 FHAB NC(=O)c1c(NC(=O)CSc2ccc3c(c2)CCC3)sc2c1CCC2 10213129 GPCZHXPZROKVEY-UHFFFAOYSA-N 372.515 3.555 0 40 FHAB CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 10370434 HLFWPMCWFBRPJK-HNNXBMFYSA-N 360.479 3.633 0 40 FHAB O=C(NC1CCN(c2ncccn2)CC1)c1cc2c(s1)CCCCCC2 46610492 APKDEKPTXNQWCI-UHFFFAOYSA-N 370.522 3.596 0 40 FHAB Cc1c(C(=O)Nc2ccccc2)nnn1-c1ccc(Br)cc1 2713310 QQAICXUWCOFKLZ-UHFFFAOYSA-N 357.211 3.591 0 40 FHAB Cc1csc(NC(=O)c2ccn(COc3ccc(Cl)c(C)c3)n2)n1 2795503 ACGHBLBAAJITLU-UHFFFAOYSA-N 362.842 3.899 0 40 FHAB C[C@H](Sc1nc(C2CCCC2)n[nH]1)C(=O)NCc1ccc(Cl)cc1 12104210 ZCSADDZRUGWDOB-NSHDSACASA-N 364.902 3.913 0 40 FHAB Cc1cc(C(=O)n2cccc/c2=N\C2CCCCC2)c2c(C)noc2n1 22143458 MJJIPLODOHCART-OQKWZONESA-N 350.422 3.563 0 40 FHAB Cc1nnc(S[C@@H](C)C(=O)NCc2ccc(F)cc2)n1-c1ccccc1 7171424 SFVIXDMBSBBVDA-ZDUSSCGKSA-N 370.453 3.512 0 40 FHAB CC(=O)N[C@@H](CC(=O)NCc1cccc(C(F)(F)F)c1)c1ccccc1 9640525 BYRPUKAPLSWJTH-KRWDZBQOSA-N 364.367 3.589 0 40 FHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc(F)c1 9903469 IHQXIWZOSIDRNA-UHFFFAOYSA-N 370.405 3.879 0 40 FHAB Cc1ccc([C@H]2C=C(c3cccs3)Nc3nc(CCCO)nn32)cc1 100892423 FJUCRHWWBWNBEW-MRXNPFEDSA-N 352.463 3.629 0 40 FHAB CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccccc1C(=O)O 716961 IOGZVDZJAHKMOG-UHFFFAOYSA-N 366.373 3.862 0 40 FHAB biogenic CCN(CC)c1ccc2cc(C(=O)Nc3ccccc3OC)c(=O)oc2c1 846005 ZLQKDCVQLLWERO-UHFFFAOYSA-N 366.417 3.900 0 40 FHAB COCCNC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 2951119 DNWPYDODELYJTM-UHFFFAOYSA-N 363.373 3.526 0 40 FHAB O[C@H](COC[C@H]1C[C@@H]2CC[C@@H]1C2)CN1CCC(Cc2ccccc2)CC1 101244449 LEDFADQRHWJSEN-ODAXIHTASA-N 357.538 3.755 0 40 FHAB CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 47650977 ZODBBNRFNTZXAT-UHFFFAOYSA-N 352.843 3.879 0 40 FHAB Cc1cc(C)cc(N[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1 7240106 ZARDRYVOAZTCRS-KRWDZBQOSA-N 353.466 3.579 0 40 FHAB CCc1ccc([C@H](CNC(=O)Nc2cccc(C(C)=O)c2)N(C)C)cc1 43239660 CAAQDTCQMDYATN-FQEVSTJZSA-N 353.466 3.876 0 40 FHAB COC(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1 24831185 ZHNOPOOBVNUMTN-CYBMUJFWSA-N 373.430 3.601 0 40 FHAB COc1ccc([C@H](O)CNC(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)cc1 56942996 WWZVZGQQUPDYBV-APPDUMDISA-N 366.820 3.582 0 40 FHAB Cc1cccc(CSCC(=O)N(C)Cc2nc(-c3ccccc3)no2)c1 78582143 WPFRSDXDBXRDGI-UHFFFAOYSA-N 367.474 3.937 0 40 FHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(Cc2c(F)cccc2Cl)CC1 107325955 SUQDRHNFGJGRBG-JYJNAYRXSA-N 364.892 3.950 0 40 FHAB C[C@@H]1CCCN(C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)C1 25966835 IKHGEXQSRYAZDN-YLJYHZDGSA-N 350.462 3.806 0 40 FHAB O=C(CC[S@](=O)Cc1cccc(C(F)(F)F)c1)Nc1ccccc1 58098114 DNWNPPKVFYBPKN-XMMPIXPASA-N 355.381 3.983 0 40 FHAB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](F)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118930379 BSKXCSHQVSHDCE-WVFTZONGSA-N 352.490 3.658 0 40 FHAB Cc1cccc(Cn2cccc(C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c2=O)c1 108068604 LONFNIJLAAEPRS-VKRLORBYSA-N 364.489 3.760 0 40 FHAB Cc1noc2nc(C3CC3)cc(C(=O)NCCO[C@H]3CCCC[C@@H]3C)c12 84066725 MGXOFWVOHAHQBG-SJCJKPOMSA-N 357.454 3.734 0 40 FHAB Cc1noc([C@H]2CCCN(C(=O)Nc3ccccc3C(F)(F)F)C2)n1 58193446 DGESEDSNZMDGED-NSHDSACASA-N 354.332 3.808 0 40 FHAB CCCCOc1ccc(S(=O)(=O)NCc2cccnc2)cc1C(C)C 58134004 UZSIJSWRCGXIJY-UHFFFAOYSA-N 362.495 3.862 0 40 FHAB Cc1ccc([C@@H]2CCCN2Cn2ncc(Cl)c(Cl)c2=O)cc1C 58162463 RWBHJAHXXHJBAX-HNNXBMFYSA-N 352.265 3.962 0 40 FHAB Cc1csc(CCNC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)n1 58228487 FQLBYIJQTZFSCU-KBPBESRZSA-N 365.296 3.676 0 40 FHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1c[nH]c2ccccc2c1=O 58334738 GXYHSKJJUTYTCB-KRWDZBQOSA-N 350.418 3.873 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)COc2ccc3c(C)cc(=O)oc3c2)c1C 3329418 XMDHHRXLHQFPTL-UHFFFAOYSA-N 353.374 3.511 0 40 FHAB CC[C@@H](NC(=O)CN1C(=O)CCOc2ccccc21)c1cccc(Cl)c1 58690364 PJHHXHOTRYAHSS-MRXNPFEDSA-N 372.852 3.723 0 40 FHAB COc1ccc(-c2noc(CCCC(=O)NC3CCCCC3)n2)cc1OC 2327877 RIRNHKHZSKFFFY-UHFFFAOYSA-N 373.453 3.525 0 40 FHAB C[C@@H](Oc1cccc2c1CCC2=O)C(=O)Nc1ccc(Br)cc1 11100373 ZYCFJFAHVZFASG-LLVKDONJSA-N 374.234 3.984 0 40 FHAB CCc1ccc(OCC(=O)NCc2ccc(-c3csc(C)n3)o2)cc1 12861848 UYVSIRBWOQQTIH-UHFFFAOYSA-N 356.447 3.969 0 40 FHAB CC(C)Oc1ccc(C(=O)O[C@H](C)C(=O)N2CCc3ccccc32)cc1 3544878 VVNNECFXSHGUME-OAHLLOKOSA-N 353.418 3.608 0 40 FHAB Cc1ccc([C@H](OC(=O)CCNC(=O)c2ccccc2)C(F)(F)F)cc1 12941412 ILWYBFQOEVPABD-KRWDZBQOSA-N 365.351 3.962 0 40 FHAB Cc1ccccc1[C@@H](C)NC(=O)NCc1cccc(NC(=O)C2CC2)c1 12994271 JSXHXTZLYMOSMZ-OAHLLOKOSA-N 351.450 3.904 0 40 FHAB Cc1cccc(OCCCC(=O)N(C)CC(=O)Nc2cc(C)ccc2C)c1 7796534 QXYNEYXSODUNLB-UHFFFAOYSA-N 368.477 3.868 0 40 FHAB O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)NCCc1ccccc1 7909929 FBYFTKWEQGRMFV-GOSISDBHSA-N 365.502 3.792 0 40 FHAB Cc1noc(C)c1COc1ccc(CC(=O)NCc2cccs2)cc1 5273226 DPDFQELJKOUNAO-UHFFFAOYSA-N 356.447 3.791 0 40 FHAB Cc1ccccc1OCc1ccc(C(=O)NCc2ccc3c(c2)OCO3)o1 27973250 KPDYGHSYBUQXQB-UHFFFAOYSA-N 365.385 3.826 0 40 FHAB CCCCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1 6322164 YSVPSZAOKMCNMV-QGZVFWFLSA-N 362.495 3.612 0 40 FHAB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c(O)c1 14092726 BWZDYIWFPUFVCD-LLVKDONJSA-N 367.323 3.903 0 40 FHAB Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 14095025 SQRFWPIUAFFEOI-UHFFFAOYSA-N 371.430 3.722 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(Cn2cccn2)cc1 14185083 ZOAMNUXYIACWHA-OAHLLOKOSA-N 369.852 3.669 0 40 FHAB CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1cccc(F)c1 4736291 UGBHLGYAJIHSBD-UHFFFAOYSA-N 370.453 3.513 0 40 FHAB O=C(NCc1ccc(Cl)cc1)c1cn2c3c(cccc3c1=O)CCC2 22235142 CKAITIGFNQTIFF-UHFFFAOYSA-N 352.821 3.531 0 40 FHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CSc1ccc(F)cc1 8349567 QZKBMDVTKSDOPW-AWEZNQCLSA-N 370.453 3.718 0 40 FHAB COC(CNCc1cn(-c2ccccc2)nc1-c1ccc(C)cc1C)OC 9882888 FNJHAEOZUGYMOX-UHFFFAOYSA-N 365.477 3.865 0 40 FHAB Cc1ccsc1C(=O)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 18012050 YOCUJNKXADMJHO-UHFFFAOYSA-N 372.368 3.666 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)Cn1c(C)cc2ccccc21 9118973 UWBKKBKBKUOWKR-UHFFFAOYSA-N 351.406 3.555 0 40 FHAB CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc3oc(CC)nc3c2)n[nH]1 96007269 BOZQFXJMPYPINE-LLVKDONJSA-N 362.455 3.818 0 40 FHAB COC(=O)c1cc(NC(=O)CC2(CC(=O)O)CCCCC2)ccc1Cl 71798137 HSKSPLIGBVGNSE-UHFFFAOYSA-N 367.829 3.880 0 40 FHAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc2[nH]c(=O)sc2c1 72307869 HASWDOVMJMJJGR-UHFFFAOYSA-N 368.443 3.669 0 40 FHAB CCC(CC)[C@H](CNC(=O)NCc1ccccc1COC)N1CCCC1 71925655 UKQPCNNKEPXCFJ-FQEVSTJZSA-N 361.530 3.533 0 40 FHAB O=C(CCc1cccc(Cl)c1Cl)NCc1n[nH]c(=S)n1C1CC1 84339061 BFXCQJQDMWKALX-UHFFFAOYSA-N 371.293 3.831 0 40 FHAB O=C(O)c1cc2ccccc2cc1NS(=O)(=O)c1c(F)cccc1F 95350908 CQFCQYCTCPWSFA-UHFFFAOYSA-N 363.341 3.617 0 40 FHAB CCOc1ccccc1CNC(=O)c1n[nH]nc1Nc1cccc(Cl)c1 67284045 OBFTUXZWBBWNDC-UHFFFAOYSA-N 371.828 3.530 0 40 FHAB CN1C(=O)c2cc(NC(=O)CC3CCCC3)ccc2Oc2ncccc21 95474521 AQEWABRPTOXMOE-UHFFFAOYSA-N 351.406 3.983 0 40 FHAB C[C@@H]1CN(C(C)(C)CNC(=O)c2cc(Cl)sc2Cl)C[C@@H](C)O1 21058346 GRYMIBSKCIVZBF-NXEZZACHSA-N 365.326 3.673 0 40 FHAB O=C1c2cccn2[C@@H]2CN(Cc3cccs3)C[C@@H]2N1Cc1cccs1 306129277 HZESFJZYERNBNZ-MSOLQXFVSA-N 369.515 3.693 0 40 FHAB COc1ccc(CCNC(=O)CCc2ccc3ccccc3n2)cc1OC 39975547 IWCLSTODUFRGDP-UHFFFAOYSA-N 364.445 3.544 0 40 FHAB C[C@H](Cc1cncc2ccccc12)C(=O)NC1(C(=O)Nc2ccccc2)CC1 554741412 ATQRXFCIKAKMQI-MRXNPFEDSA-N 373.456 3.701 0 40 FHAB CCCNc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72213203 RQJOYPCGCTXJIQ-SFHVURJKSA-N 359.495 3.738 0 40 FHAB C[C@H](CN1CCOCC1)[C@](O)(Cc1ccccc1)c1ccc(Cl)cc1 31938044 OKFYKMOGOWTGMW-DYESRHJHSA-N 359.897 3.739 0 40 FHAB CSc1ccccc1C(=O)NC[C@](O)(c1ccccc1)C(F)(F)F 70636383 YEEWIIFXRZEJSK-INIZCTEOSA-N 355.381 3.588 0 40 FHAB COCc1ccc(CN2CCC[C@H](c3nnsc3-c3cc(C)no3)C2)o1 72396703 ZAQLWJDCGYHEKV-ZDUSSCGKSA-N 374.466 3.621 0 40 FHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1CCN(c2ccccc2F)CC1 38773238 ZVIDCDUZSYLBHO-OAQYLSRUSA-N 370.468 3.949 0 40 FHAB COc1ccccc1Cc1noc(C2CN(Cc3cc(C)ccc3C)C2)n1 75156533 ORWPUCTZVXHGNJ-UHFFFAOYSA-N 363.461 3.885 0 40 FHAB CCSc1nnc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)s1 224147942 DUTNSQAZEDZZDZ-LLVKDONJSA-N 363.508 3.935 0 40 FHAB COc1ccc(S[C@H](C)C(=O)NCCOc2ccc(C)c(C)c2)cc1 224340288 MSUQDAXNOKDZDF-MRXNPFEDSA-N 359.491 3.988 0 40 FHAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 225007685 FDTVIDDGFNPVRX-FQEVSTJZSA-N 354.450 3.628 0 40 FHAB CCOC(=O)c1ccc(C)c(N(CC)S(=O)(=O)c2ccc(C)cc2)c1 224697166 FOIGAIYMLQPLOP-UHFFFAOYSA-N 361.463 3.695 0 40 FHAB CCCO[C@@]1(C(=O)Nc2ccc(OCCOCC)nc2)CCC[C@@H](C)C1 225910829 TURRBXOPBKGZSF-UZLBHIALSA-N 364.486 3.811 0 40 FHAB Cc1nc(-c2ccccc2)sc1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 85432641 LQZUPSYQQFFXCX-UZLBHIALSA-N 356.491 3.886 0 40 FHAB COc1ccc(Cl)cc1NC(=O)NCCc1ccc(C(C)=O)s1 225675641 URWYQYHISLKHIN-UHFFFAOYSA-N 352.843 3.977 0 40 FHAB CC(C)Oc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 44901879 UMCIBPNSGYVYHS-UHFFFAOYSA-N 352.434 3.849 0 40 FHAB COc1ccc(CCC(=O)Nc2cccc(-c3nnc4ccccn34)c2)cc1 95472865 MIEBHNPCYBDXME-UHFFFAOYSA-N 372.428 3.976 0 40 FHAB O=C1CN(C2CC2)C(=O)N1Cc1cc(Cl)cc(Cl)c1OC(F)F 97045941 XYPDOVXTNYZLRH-UHFFFAOYSA-N 365.163 3.521 0 40 FHAB Cc1csc(Nc2cc([C@@H]3CCN(C(=O)CC(C)C)C3)nc(C)n2)n1 257218219 DCHLLSYMJIOTPN-CQSZACIVSA-N 359.499 3.656 0 40 FHAB Cc1cc([C@@H]2CCCCN2C(=O)CCc2cccs2)nc2nccn12 257239078 HNWDSABZNGJHGX-KRWDZBQOSA-N 354.479 3.786 0 40 FHAB C[C@@H](N)C1CCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1 653048605 LRLXLDKXFFSITI-QGZVFWFLSA-N 361.489 3.889 0 40 FHAB COc1cc(NC(=O)NC[C@@H]2CCN(C(C)(C)C)C2)cc(Cl)c1OC 667287568 LLTOUMKMGDFRIP-LBPRGKRZSA-N 369.893 3.599 0 40 FHAB CC(F)(F)c1ccccc1NC(=O)N1CCC[C@H](N2CCCC2=O)CC1 669401297 RNLCVQFYEMUYPE-AWEZNQCLSA-N 365.424 3.807 0 40 FHAB CC(C)c1cc([C@@H]2CCCN(C(=O)c3ccc(OCC4CC4)nc3)C2)n[nH]1 1637409453 RNHADEORVBKOOI-QGZVFWFLSA-N 368.481 3.737 0 40 FHAB CC(C)CN1CCC(NC(=O)N[C@H](C)c2cccc(OC(F)F)c2)CC1 45463335 FJJCEYFNLMHIEY-CQSZACIVSA-N 369.456 3.769 0 40 FHAB S=C(Nc1ccc(I)cc1)NC1CCCCC1 5338114 WKYKCFLQVYYPEG-UHFFFAOYSA-N 360.264 3.910 0 40 FHAB CCc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)C(C)C)CC3)cc2n1 12160452 RKAABYLWDVJPIH-UHFFFAOYSA-N 368.403 3.673 0 40 FHAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2CCNC(=O)C1CCCC1 19219922 CTIZWSXKCXAICN-UHFFFAOYSA-N 366.383 3.635 0 40 FHAB CCCC(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1onc(C)c1C 19501364 CUZXSBMYAMAWKG-MRXNPFEDSA-N 371.485 3.668 0 40 FHAB O=c1[nH]c2ccccc2cc1CN1CCO[C@@H](c2ccccc2Cl)C1 111221704 DQLXILVOWIXEQO-LJQANCHMSA-N 354.837 3.755 0 40 FHAB CN(c1ncc(Cl)cn1)C1CCN(Cc2ccc(F)c(F)c2)CC1 1849139550 CGIGPZIRRDDUSZ-UHFFFAOYSA-N 352.816 3.509 0 40 FHAB CC(C)(C)c1cc(C(=O)NC[C@H]2CCCOC2)n(Cc2ccc(F)cc2)n1 2037845948 OJIJUAGSDXNCDP-MRXNPFEDSA-N 373.472 3.524 0 40 FHAB Cc1ccc(NC(=O)c2cc(N3C(=O)C=CC3=O)ccc2Cl)cc1C 1060280 QEDKUJMGQFOTIU-UHFFFAOYSA-N 354.793 3.639 0 40 FHAB COc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)Nc1cc(C)ccc1C 8369900 HUAKCNMCQGNTHV-IBGZPJMESA-N 365.433 3.579 0 40 FHAB O=S(=O)(NC[C@H](c1ccsc1)N1CCCC1)c1cccc(Cl)c1 8899575 KUFRRCBVUXOPEL-MRXNPFEDSA-N 370.927 3.517 0 40 FHAB Cc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3cccc(F)c3)n2)cc1 12441114 TXJMEDWMLWARGP-UHFFFAOYSA-N 365.408 3.777 0 40 FHAB CC(C)(C)c1ccc(OCC2CCN(c3cc(C4CC4)ncn3)CC2)nn1 1775965912 KGGYEROPMQHTAY-UHFFFAOYSA-N 367.497 3.737 0 40 FHAB Cc1cc(C)c2s/c(=N\C(=O)c3cc4ccccc4oc3=O)n(C)c2c1 100908843 HKAQTFCZIFHGTA-MRCUWXFGSA-N 364.426 3.704 0 40 FHAB Cc1cc(C)n([C@@H](CNC(=O)NCc2ccc(F)cc2)c2ccsc2)n1 575612608 BJBUHRGKAGBGEG-SFHVURJKSA-N 372.469 3.789 0 40 FHAB CC(=O)Nc1nnc(SCc2coc(-c3cccc(F)c3)n2)s1 105359739 WTLZRZPOFKBKOX-UHFFFAOYSA-N 350.400 3.583 0 40 FHAB O=C(Nc1cccc2c1CCCC2)c1ccc(=O)n(-c2ccc(F)cc2)n1 40086760 MIYGLDRQTMZKBQ-UHFFFAOYSA-N 363.392 3.503 0 40 FHAB Cc1cc(C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)c(C)o1 40056822 PRQISNRBHZUMDD-UHFFFAOYSA-N 362.429 3.648 0 40 FHAB CC(=O)Nc1ccc(CNC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)cc1 40141776 WJPMWZZIAUNPQT-UHFFFAOYSA-N 368.433 3.632 0 40 FHAB C[C@H]1CCCN(CCCCNC(=O)Nc2cccc(OC(F)F)c2)C1 40120494 NNAMEMYCWOHNON-AWEZNQCLSA-N 355.429 3.922 0 40 FHAB Cc1nnsc1-c1nn2c(-c3cc(Cl)ccc3Cl)nnc2s1 40287297 AKVUARTWGJOZBC-UHFFFAOYSA-N 369.262 3.987 0 40 FHAB COC(=O)c1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1 20220778 OITVAZQDFXVYBC-YBEGLDIGSA-N 371.389 3.849 0 40 FHAB O=C(NC1CCCC1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 780528 BKTHXFDUWUZTMJ-UHFFFAOYSA-N 369.292 3.904 0 40 FHAB CN(C)C(=O)c1cccc(OC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c1 51852834 PUXGGNQWXBAWNO-UHFFFAOYSA-N 369.808 3.651 0 40 FHAB CCOC(=O)c1c(NC(=O)c2noc3c2CCCC3)sc2c1CCCC2 2498127 TUEBDYMXJNRZJN-UHFFFAOYSA-N 374.462 3.923 0 40 FHAB CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccnc(Cl)c3)no2)CC1 3866598 KCXPHCLIKKTDDZ-UHFFFAOYSA-N 364.833 3.900 0 40 FHAB O=C(CSc1nncs1)NCc1ccc(-c2ccc(Cl)cc2)o1 21334934 NGEIGLLUMLUAPT-UHFFFAOYSA-N 365.867 3.860 0 40 FHAB C[C@H](Sc1nnc(-c2ccccc2)n1C)C(=O)NCCC1=CCCCC1 2623076 VMVFYMUVLOSRPR-HNNXBMFYSA-N 370.522 3.969 0 40 FHAB CCOc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c1 6950316 XGHFZURDTLXZCD-UHFFFAOYSA-N 358.463 3.767 0 40 FHAB OC1=C2C(=Nc3ncnn3[C@H]2c2cccnc2)C[C@H](c2ccc(F)cc2)C1 102588667 QUMQXKKJFWOELJ-LIRRHRJNSA-N 361.380 3.877 0 40 FHAB CC1=CC[C@H]2C(=O)N(c3ccc(OC(=O)c4cccs4)cc3)C(=O)[C@H]2C1 102553818 OHUGWADGBUTBRV-CVEARBPZSA-N 367.426 3.813 0 40 FHAB O=C1C[C@H](NCc2ccc(F)cc2)C(=O)N1c1cc(Cl)cc(Cl)c1 101663215 IEWLKAMIBPTEPP-HNNXBMFYSA-N 367.207 3.554 0 40 FHAB CCCc1ncc(CN2[C@@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)cn1 100763690 FINSJTIXVISNCP-RTBURBONSA-N 355.457 3.583 0 40 FHAB O=C(Nc1cccc(N2CCNC2=O)c1)c1cc2c(F)cccc2s1 47040444 FTAHMIAPMILJOI-UHFFFAOYSA-N 355.394 3.822 0 40 FHAB COc1cccc(N2C(=O)C[C@H](Nc3cccc(Cl)c3Cl)C2=O)c1 101275944 NUUVEYRTXFKKTP-AWEZNQCLSA-N 365.216 3.746 0 40 FHAB COc1ccc(-c2nn3c(-c4cccc(F)c4F)nnc3s2)c(OC)c1 12389518 UGCNCRALEAXNHG-UHFFFAOYSA-N 374.372 3.815 0 40 FHAB Cn1cnc2c(oc3nc(-c4ccccc4)c4c(c32)CC(C)(C)OC4)c1=O 12324287 YVOWFFDVCHLNDV-UHFFFAOYSA-N 361.401 3.593 0 40 FHAB Cc1ccc(C(=O)NC(=S)Nc2c(C)ccc3nsnc23)cc1C 59437661 FPDHYNGTWSBOIY-UHFFFAOYSA-N 356.476 3.743 0 40 FHAB OCCCc1nc2n(n1)[C@H](c1cccs1)C=C(c1ccc(Cl)cc1)N2 100892666 IYKLXEHFNNBUSC-HNNXBMFYSA-N 372.881 3.974 0 40 FHAB COc1cc(NC(=O)N(C)Cc2ccc(C)cc2C)cc(OC)c1OC 43169728 SWGRMOHNHZOIBE-UHFFFAOYSA-N 358.438 3.993 0 40 FHAB COc1cc(OC)c(NC(=O)[C@H](C)Oc2ccccc2F)cc1Cl 24639860 WOXBCCUYWDHXGJ-JTQLQIEISA-N 353.777 3.902 0 40 FHAB COc1ccccc1C(=O)CSc1nc(C)c(C)n1C[C@@H]1CCCO1 12544701 RBUFUDCKKGPQAL-HNNXBMFYSA-N 360.479 3.663 0 40 FHAB Brc1cc(CN[C@H]2CCOc3ccccc32)cc2c1OCO2 25357343 USWAWYMIORTSMA-AWEZNQCLSA-N 362.223 3.791 0 40 FHAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(-n2cccn2)nc1 12527044 QUZNUUBSOJKWCP-CYBMUJFWSA-N 356.813 3.635 0 40 FHAB Cc1cc(=O)oc2c3c(c(Cl)cc12)OCN(CCCOC(C)C)C3 57129182 IGZUPODETNHZMK-UHFFFAOYSA-N 351.830 3.722 0 40 FHAB Cn1ccnc1-c1sc(NC(=O)c2ccncc2)nc1-c1ccccc1 12535503 NPDHJIVVGYTYSQ-UHFFFAOYSA-N 361.430 3.858 0 40 FHAB CN(c1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 10113759 UKZNDDWBKWGTEE-UHFFFAOYSA-N 350.871 3.765 0 40 FHAB Cc1cc(C(=O)NC2CCCCC2)ccc1NS(=O)(=O)c1ccccc1 10369352 KLTBRWJIRGYVMJ-UHFFFAOYSA-N 372.490 3.858 0 40 FHAB CC(C)OCCCN(C[C@@H](O)c1ccccc1)C[C@@H](O)c1ccccc1 3282805 KBGOHFFRCGJDDE-FGZHOGPDSA-N 357.494 3.571 0 40 FHAB COc1ccccc1NC(=O)c1ccc(O[C@H](C)C(=O)OCC(C)C)cc1 1939183 MNWGAAPBBAYYAF-OAHLLOKOSA-N 371.433 3.914 0 40 FHAB Cc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c1C 20042429 DNBDPYIZCKRYHV-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1c1nccs1 2253958 VHXHKBJDBDGPEJ-INIZCTEOSA-N 360.394 3.999 0 40 FHAB CCCNC(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O 11120028 BGPCMPDJXLJRSK-UHFFFAOYSA-N 372.490 3.512 0 40 FHAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1Cl 3347518 SKLHJXLBOYVUAD-OAHLLOKOSA-N 372.852 3.644 0 40 FHAB C[C@H](NC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1Br 12772420 RYFGTERUHSWTDD-NSHDSACASA-N 371.234 3.782 0 40 FHAB C[C@H](CCc1ccco1)Nc1ncnc2c1cnn2-c1ccc(F)cc1 12818767 MUDZXZGRMNXVCE-CYBMUJFWSA-N 351.385 3.981 0 40 FHAB COCCn1c(SC/C=C/c2ccccc2)nc2ccccc2c1=O 3443476 JKUJHDOYNXSYDU-JXMROGBWSA-N 352.459 3.848 0 40 FHAB CCc1ccccc1Nc1nc(N)nc(CSc2nc(C)cs2)n1 3445309 VKTIZCYVELGBHH-UHFFFAOYSA-N 358.496 3.817 0 40 FHAB COC(=O)c1cnc(NC(=O)c2ccccc2Oc2ccccc2)s1 13005432 BXDYPCXOOXYOQK-UHFFFAOYSA-N 354.387 3.974 0 40 FHAB Cc1ccc(-c2csc(=O)n2CC(=O)N2CCCc3ccccc32)cc1 8754546 FOSALUYXAYRJAC-UHFFFAOYSA-N 364.470 3.865 0 40 FHAB COc1cc(C(=O)Nc2ccccc2OC(F)(F)F)cc2c1OCCO2 27825005 YCBFJQSLUBUKCZ-UHFFFAOYSA-N 369.295 3.617 0 40 FHAB CCOc1ccc(OCC)c(NS(=O)(=O)c2cc(F)ccc2F)c1 8109008 AFYBHCHKTOJHNN-UHFFFAOYSA-N 357.378 3.563 0 40 FHAB CCOC(=O)[C@]1(C)C=C(Nc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 16737404 COCCHLQPQAGOBB-FQEVSTJZSA-N 372.371 3.629 0 40 FHAB CC(C)(NC(=O)c1ccc(-c2cnco2)cc1)c1ccc2c(c1)OCO2 64314011 BKDREVXZENWYQB-UHFFFAOYSA-N 350.374 3.735 0 40 FHAB O=C(O)CCCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1F 4104458 DEELNTHFIIHRMK-SFHVURJKSA-N 354.381 3.758 0 40 FHAB CC(=O)Nc1cc(C(=O)CSc2ccc3ccccc3n2)ccc1O 8720861 CUOPNEYJHAZGOX-UHFFFAOYSA-N 352.415 3.874 0 40 FHAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(F)cc2)cc1 6056674 OJGBLAZJLDRKPN-UHFFFAOYSA-N 356.426 3.754 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3nccs3)c2)cc1 4270372 KRGRGHCKFZFVQU-UHFFFAOYSA-N 373.459 3.505 0 40 FHAB C[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)c1ccc(F)cc1 8229543 LQDAAKDHJQSJDX-SNVBAGLBSA-N 362.817 3.818 0 40 FHAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCN(C)CC(F)(F)F 69924677 ICZIXDGNKZXOOW-AWEZNQCLSA-N 374.447 3.752 0 40 FHAB CC[C@@]1(C)Cc2c(sc3[nH]c(=O)n(-c4ccccc4)c(=O)c23)CS1 16955803 CUSXQGQWRJLVGU-SFHVURJKSA-N 358.488 3.699 0 40 FHAB CCCCc1nc2c3ccccc3n(CC(=O)c3ccc(C)cc3)c(=O)n2n1 69350512 SUZWKJISTPCCCV-UHFFFAOYSA-N 374.444 3.578 0 40 FHAB CCc1cccc(C)c1NC(=O)COC(=O)c1cn(C)c2ccccc12 5261433 STLLPTGTBXVQTC-UHFFFAOYSA-N 350.418 3.845 0 40 FHAB Cc1ccccc1-n1c(-c2cccnc2)nn(CN2CCCC2)c1=S 14093783 VRNXFXJCIXYVOF-UHFFFAOYSA-N 351.479 3.827 0 40 FHAB COCCSc1ccccc1C(=O)Nc1nnc(C(F)(F)F)s1 4510378 HMCSJHQVTGTVSF-UHFFFAOYSA-N 363.386 3.548 0 40 FHAB COc1ccc([C@H]2NC(=O)c3c(sc4c3CC[C@@H](C)C4)N2)cc1OC 17083550 IWSKSOYUKYKOHA-QGHHPUGFSA-N 358.463 3.744 0 40 FHAB CCc1ccccc1NC(=O)[C@@H]1CS[C@]2(c3cccs3)CCC(=O)N12 6787894 SWAYUSVEXOSIDF-KXBFYZLASA-N 372.515 3.840 0 40 FHAB Cc1ccc(C2=NN(C(=O)CCN3CCCC3)[C@H](c3ccco3)C2)cc1 4897836 JXJRLWASGFFJBH-IBGZPJMESA-N 351.450 3.752 0 40 FHAB Cc1ccccc1-c1nnc(SCC(=O)N[C@H](C)c2cccs2)n1C 5859309 VGMXWYYDPRJTLE-CYBMUJFWSA-N 372.519 3.822 0 40 FHAB Cc1cccc(OCCOC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1 8713495 IAMQFDQMZHLVCD-CYBMUJFWSA-N 357.431 3.664 0 40 FHAB NC(=O)CCN(C(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 9113304 VNOMJQOTIAFZGY-UHFFFAOYSA-N 358.441 3.727 0 40 FHAB CCN1CCN(c2ccccc2NC(=O)/C=C/c2ccccc2F)CC1 9367830 RNCZNXVXSPDDPO-VAWYXSNFSA-N 353.441 3.620 0 40 FHAB CCOc1ccc([C@@H](C)NCc2nnc(-c3ccc(OC)cc3)o2)cc1 9454793 YPSKTQFJFUYFGD-CQSZACIVSA-N 353.422 3.995 0 40 FHAB CC(C)OC(=O)C[C@H](Nc1ncc(Br)cn1)c1ccccc1 72307593 QYKIAKOPOJTCIF-AWEZNQCLSA-N 364.243 3.734 0 40 FHAB Cc1cccc(-n2c3c(c(=O)[nH]c2=S)CN(C2CCCC2)CN3)c1C 19939117 BAIFGKXJFKCYFV-UHFFFAOYSA-N 356.495 3.640 0 40 FHAB CCCc1nc(C)sc1C(=O)Nc1cccc(C(=O)c2nccn2C)c1 72404625 IJAZEAUKCHPLNY-UHFFFAOYSA-N 368.462 3.621 0 40 FHAB Cc1ccc(-c2noc(N(C)CC(=O)Nc3cccc(C)c3C)n2)cc1 95465981 GPDMBRKNPXYSCJ-UHFFFAOYSA-N 350.422 3.737 0 40 FHAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)N1CCOCC1 9953770 WEVVZIBMCKVQJR-UHFFFAOYSA-N 352.409 3.765 0 40 FHAB CCCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(C)[nH]c2ccccc12 9933331 DZAQPBJKLJENRA-NRFANRHFSA-N 361.445 3.548 0 40 FHAB COc1ccc(CN(C)C(=O)[C@H](C)Oc2cccc(Cl)c2)cc1OC 20481746 BQLITMGAKHXGKM-ZDUSSCGKSA-N 363.841 3.783 0 40 FHAB Cc1cc(OCC(=O)N(C)Cc2nnc(-c3ccccc3)o2)ccc1Cl 408714980 ZZWQEQHDCJPMED-UHFFFAOYSA-N 371.824 3.736 0 40 FHAB CC(C)(C)C(=O)N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 60065098 BGEFAGYNPGQIHO-HNNXBMFYSA-N 352.434 3.747 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)N(C)Cc2nnc(-c3ccc(C)cc3)o2)cc1 408714155 JYQVNJHEVWKICL-MRXNPFEDSA-N 365.433 3.779 0 40 FHAB O=C1Cc2cc(NS(=O)(=O)c3cccc(-c4ccccc4)c3)ccc2N1 506653753 LWSCUHAHWXGQOH-UHFFFAOYSA-N 364.426 3.649 0 40 FHAB O=C(c1ccn(Cc2ccccc2)c1)N1CCOc2cccc(F)c2C1 513115372 PKECZESJRUBSPM-UHFFFAOYSA-N 350.393 3.710 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(CN3CCCC3)cc2)c1C 33222357 GNNHVBUWGCBMHA-IBGZPJMESA-N 366.505 3.983 0 40 FHAB CCc1nc(S/C(=C\c2ccc(N3CCCCCC3)o2)C(=O)O)n[nH]1 213409265 GYEDDXLOYPYFHH-QBFSEMIESA-N 362.455 3.558 0 40 FHAB NC(=O)COc1cccc(CNc2ccc(Br)c(Cl)c2)c1 408556755 KGURZOIKIGHIKT-UHFFFAOYSA-N 369.646 3.579 0 40 FHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCCN1C[C@@H](C)C[C@H](C)C1 36067600 KOXNZHOWHBGVCW-BXWFABGCSA-N 366.933 3.982 0 40 FHAB CC[C@H](Oc1cccc(C)c1)C(=O)NCc1nc(-c2ccccc2)no1 219318758 MWHPGGSICGRSTQ-KRWDZBQOSA-N 351.406 3.519 0 40 FHAB CN(c1ccc(Cl)c(C(=O)Nc2ccc(Cl)cc2)c1)S(C)(=O)=O 222488873 IEDSIICLXLYKLL-UHFFFAOYSA-N 373.261 3.642 0 40 FHAB COc1ccc(O[C@@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)cc1 223700161 CMSVXNSGQFJSOP-INIZCTEOSA-N 371.477 3.955 0 40 FHAB CCCCc1ccc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2C)cc1 223338526 NCRHEKXYXXEHOF-UHFFFAOYSA-N 374.462 3.583 0 40 FHAB CCc1ccc([C@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)cc1 224005222 UWLDRKLTJDVNNA-LBPRGKRZSA-N 353.871 3.951 0 40 FHAB C[C@H](Oc1ccc(F)cc1)C(=O)NCCOc1cccc2ccccc12 223538847 MSJMVYUXXNKRGU-HNNXBMFYSA-N 353.393 3.941 0 40 FHAB CC(C)Sc1nnc(NC(=O)c2ccc(Cn3ccnc3)cc2)s1 225803431 UQFURWMNYQSHKZ-UHFFFAOYSA-N 359.480 3.536 0 40 FHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)[nH]1 224592732 PDTKQXCIKXPEKF-RBUKOAKNSA-N 364.474 3.909 0 40 FHAB O=C(O)COc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 225515271 OBXFDGYCGMQLBA-UHFFFAOYSA-N 357.381 3.740 0 40 FHAB O=C1NCCN(C(=O)c2cccc(-c3ccccc3)c2)[C@H]1Cc1ccccc1 20861413 BSVFZEZQWODSSS-QFIPXVFZSA-N 370.452 3.537 0 40 FHAB Cc1ccc(CN2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)o1 96040097 NRNMFJVMMBDKMM-LEWJYISDSA-N 356.466 3.571 0 40 FHAB COC(=O)c1nc(NC(=O)c2nc(Cl)sc2C)sc1CC(C)C 96231827 NONIJNRGQZQQIM-UHFFFAOYSA-N 373.887 3.799 0 40 FHAB Cc1cccc(NC(=O)N2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)c1 96238684 JZWJQGJYJQXPHX-OAQYLSRUSA-N 367.424 3.795 0 40 FHAB COC[C@H]1CN(Cc2ccsc2)CC12CCN(Cc1cccnc1)CC2 247891265 TUIRYEXYLFVJOK-HXUWFJFHSA-N 371.550 3.504 0 40 FHAB CCn1nnc2cc(C(=O)N3CC[C@H](C(F)(F)F)C4(CCC4)C3)ccc21 585080079 WYUPHLRLSATBMK-HNNXBMFYSA-N 366.387 3.646 0 40 FHAB Cc1cc(C[C@H](C)NC(=O)Nc2cnc(N3CCCC[C@@H]3C)c(C)c2)n[nH]1 547833962 LRIZNKDLBMFISY-HOCLYGCPSA-N 370.501 3.553 0 40 FHAB C[C@H]1CN(C(=O)Nc2ccc(N3CCCCC3)nc2)Cc2ccccc2O1 583789893 YUZYYSGLOJLQFO-INIZCTEOSA-N 366.465 3.887 0 40 FHAB O=C(NCc1cccc(OC(F)F)c1)N[C@@H]1CCOc2ccc(F)cc21 69089527 DTTZAFLSLRWJOT-OAHLLOKOSA-N 366.339 3.750 0 40 FHAB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)NCc3ccccc3)n2)cc1 5179804 WNCAMIZITAKOBJ-AWEZNQCLSA-N 366.490 3.831 0 40 FHAB CN(C)c1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 5404193 QUVAJVQFYUCDMK-UHFFFAOYSA-N 367.232 3.855 0 40 FHAB O=C(NCc1ccc(OC(F)F)cc1)c1ccccc1Br 11510091 VRBUMAYGTYYYEG-UHFFFAOYSA-N 356.166 3.981 0 40 FHAB O=C(NCc1ccc(OC(F)F)cc1)c1ccc(NC(=O)C2CC2)s1 11837030 KREOGWKTTFABEZ-UHFFFAOYSA-N 366.389 3.628 0 40 FHAB Cc1nc(COc2ccc(C(=O)OC/C=C/c3ccccc3)cc2)no1 12074013 PPJBJCGBOSVRCU-VMPITWQZSA-N 350.374 3.827 0 40 FHAB O=C(Nc1nc2c(s1)CCCCCC2)c1ccc(Cn2cncn2)cc1 19334978 SBGIEAXJYNSPNL-UHFFFAOYSA-N 367.478 3.694 0 40 FHAB O=C(Cc1ccsc1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 19406427 AVMZNVXYHLSDNA-UHFFFAOYSA-N 359.476 3.808 0 40 FHAB C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(N[C@H](C)c2ccccc2)n1 19457420 VFZAXPOJJUJJBU-QWHCGFSZSA-N 357.845 3.597 0 40 FHAB CCC(=O)N[C@H](c1nccs1)[C@@H]1CCCN(Cc2ccccc2F)C1 19499265 QAMNTSOZPXCCRN-QAPCUYQASA-N 361.486 3.762 0 40 FHAB COc1ccccc1CN1C[C@@H](c2cc[nH]n2)[C@H](c2ccc(F)cc2)C1 19570733 QPAOHWPKPCVEMQ-RBUKOAKNSA-N 351.425 3.941 0 40 FHAB CC(C)c1ccc(CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 4788079 FRFBJSOMYHRDNX-OAQYLSRUSA-N 366.417 3.506 0 40 FHAB CC(C)N1CCN(c2nccn3nc(-c4ccc(Cl)cc4)cc23)CC1 33266339 UYYNBFCJLAQRAD-UHFFFAOYSA-N 355.873 3.580 0 40 FHAB Cc1nc2ccc(C(=O)N3CCc4[nH]c5ccccc5c4C3)cc2nc1C 40033823 DARIBVNDPDOTSM-UHFFFAOYSA-N 356.429 3.926 0 40 FHAB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(Cl)c2)NC(=O)N1 862567 DSFFQJZABMGWQJ-KRWDZBQOSA-N 355.825 3.915 0 40 FHAB CCc1ccc(NC(=O)CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 4315300 ZMUKPRMNGMTNNZ-QGZVFWFLSA-N 362.477 3.943 0 40 FHAB Cc1ccc(-n2ncc3c(=O)n(C/C=C/c4ccccc4)cnc32)c(C)c1 4479242 LOVKMGKOFAJTEA-RMKNXTFCSA-N 356.429 3.912 0 40 FHAB Cc1ccc(C(=O)N(c2ccc(C)c(C)c2)[C@H]2C=CS(=O)(=O)C2)cc1C 5071229 FNRJVCPBKLOCOV-FQEVSTJZSA-N 369.486 3.878 0 40 FHAB O=C(NCc1nnc(SCc2ccc(F)cc2)o1)c1ccc(F)cc1 5107473 RFDCHAQISSVDQP-UHFFFAOYSA-N 361.373 3.570 0 40 FHAB Cc1ccc(CN2CCC[C@@](Nc3ccccc3)(C(=O)N(C)C)C2)s1 2055751050 BXGJAPSXIXETHA-FQEVSTJZSA-N 357.523 3.591 0 40 FHAB O=C(CCC(=O)N1CCC[C@@H](Oc2ccncc2Cl)C1)c1ccccc1 575612792 NIZZXQNHNAKVAW-MRXNPFEDSA-N 372.852 3.768 0 40 FHAB O=C(NCc1c(F)cccc1F)N1[C@H]2CC[C@H]1CC(Oc1ccccn1)C2 390830688 MQPRZCMGLOOMED-KBPBESRZSA-N 373.403 3.644 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)c1C 15480233 WAVHDRXQNRFUHW-LLVKDONJSA-N 374.510 3.775 0 40 FHAB Cc1noc(C)c1COc1ccccc1C(=O)NCCc1ccccc1 32975796 BNLCKUOEYOMNTL-UHFFFAOYSA-N 350.418 3.843 0 40 FHAB CC[C@@H](C(=O)Nc1ccccc1OC)n1nc(-c2ccccc2)ccc1=O 20095373 UUOCWTIOCBLGHK-SFHVURJKSA-N 363.417 3.509 0 40 FHAB Cc1cccc(N2CCN(C(=O)CCC(=O)c3ccc(F)cc3)CC2)c1C 8025573 GJKQWLZNHNCCEH-UHFFFAOYSA-N 368.452 3.754 0 40 FHAB Cc1ccc(N2CCN([C@H](C(=O)O)c3c[nH]c4ccccc34)CC2)c(C)c1 20722348 ONAMTOIHRMFQTH-NRFANRHFSA-N 363.461 3.733 0 40 FHAB CCOC(=S)SCc1nc2ccccc2c(=O)n1-c1ccccc1 851694 SGUXUBCLUVUYBZ-UHFFFAOYSA-N 356.472 3.940 0 40 FHAB Cc1nn(Cc2cccc(C(F)(F)F)c2)c(=O)n1-c1cccc(F)c1 4072902 LIWBZAWPBHLTAK-UHFFFAOYSA-N 351.303 3.549 0 40 FHAB COc1ccc(S(=O)(=O)NC(C(C)C)C(C)C)c(Cl)c1Cl 6325215 WBNWYGNRNGAZOJ-UHFFFAOYSA-N 354.299 3.961 0 40 FHAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC/C2=N\NC(=O)C(=O)O 6779773 CTISYMLRZAHCNS-SPYBMDQJSA-N 360.498 3.976 0 40 FHAB C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1cccnc1 7146694 YPLCDJGJQWLZDK-VIFPVBQESA-N 364.776 3.793 0 40 FHAB CC(=O)Nc1ccc(SCC(=O)c2ccc(NC(C)=O)cc2F)cc1 7293641 WPBPABOJVTXZHK-UHFFFAOYSA-N 360.410 3.718 0 40 FHAB CCOC(=O)c1sc(NC(=O)c2cc(-c3cccs3)on2)nc1C 11917436 CVEQPXVXORVHRL-UHFFFAOYSA-N 363.420 3.597 0 40 FHAB CCCOc1ccc(C(=O)N2CCN(c3c(N)cccc3Cl)CC2)cc1 57331959 XQPICGGCTZYWHI-UHFFFAOYSA-N 373.884 3.673 0 40 FHAB NC(=O)c1ccc(NC(=O)c2cnc3ccccc3c2C(F)(F)F)cc1 32901989 NNBFVLVFUFYCAG-UHFFFAOYSA-N 359.307 3.605 0 40 FHAB Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 32910623 HSQKEOJSRHYZKY-LZLYRXPVSA-N 359.466 3.585 0 40 FHAB O=C(Nc1ccccc1OC1CCCC1)[C@H]1CC(=O)N(Cc2ccco2)C1 46664631 WDBCQATULNBQMJ-HNNXBMFYSA-N 368.433 3.588 0 40 FHAB O=C(NC(=S)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1 554904 PZUXRAANMXMLMS-UHFFFAOYSA-N 350.399 3.665 0 40 FHAB Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(N)cc1 694127 JNLVJPKIMPYJSQ-UHFFFAOYSA-N 358.854 3.693 0 40 FHAB C[C@@H](NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1C[C@H]2CC[C@H]1C2 103469073 LNOCKXMAXPWDEM-AUBFYVDXSA-N 372.553 3.650 0 40 FHAB O=C(CC[S@@](=O)Cc1ccc(F)cc1Cl)Nc1ccc(F)cc1 58439235 TXMIQWWKGGPPHO-QHCPKHFHSA-N 357.809 3.896 0 40 FHAB Cc1oncc1C(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1 54270305 UBJIBBJVGZZSSE-CQSZACIVSA-N 365.389 3.641 0 40 FHAB CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1cccc(O)c1 914956 RESOETNUURECBZ-UHFFFAOYSA-N 366.373 3.647 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccnn1Cc1ccccc1Cl 23272571 RXNUJWKSOJSALU-CQSZACIVSA-N 355.825 3.991 0 40 FHAB O=C(Nc1cccnc1-n1cccn1)c1csc(-c2ccsc2)n1 23170924 DDVYUVNZQAFUOW-UHFFFAOYSA-N 353.432 3.705 0 40 FHAB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCCC1 21898500 VLTPPDUAOPINEI-OAHLLOKOSA-N 357.281 3.760 0 40 FHAB Cc1ccc([C@H](CN2CCOCC2)Nc2nnc(C)c3ccccc23)cc1 24341694 QLFWMUKOHXQWGG-NRFANRHFSA-N 362.477 3.732 0 40 FHAB O=C(NC1CC1)[C@@H](NCC1(N2CCCCC2)CCCCC1)c1ccccc1 24518853 XBOJVCVYPUPVFB-NRFANRHFSA-N 369.553 3.785 0 40 FHAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCC(C)CC3)c12 24620498 MXLMSHXBSSGDBT-UHFFFAOYSA-N 354.479 3.877 0 40 FHAB CC(C)(C)c1ccccc1OCC(=O)NCCCn1cnc2ccccc21 24660240 ZTGUHYZMVZZVKS-UHFFFAOYSA-N 365.477 3.919 0 40 FHAB Cc1ncsc1C(=O)Nc1nc(CN2C[C@H](C)C[C@@H](C)C2)cs1 43286186 PUDZUVPXNDLSKU-GHMZBOCLSA-N 350.513 3.638 0 40 FHAB CCC[C@@H]1[C@H]2C(=O)N(c3ccc(CC)cc3)C(=O)[C@@H]2ON1c1ccccc1 102691648 KZVSHWCSDYFGSC-VAMGGRTRSA-N 364.445 3.728 0 40 FHAB Cc1c(C(=O)NCCOc2ccccc2)cnn1-c1cccc(Cl)c1 25646515 CPCSABDVNRTSPP-UHFFFAOYSA-N 355.825 3.643 0 40 FHAB Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN(Cc1ccncc1)CO2 57135144 HDEXTFABORRBDX-UHFFFAOYSA-N 362.429 3.727 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2cc(OC)c(OC)cc2Cl)c1 10584996 HVLSRDVPVJEWQM-UHFFFAOYSA-N 351.786 3.627 0 40 FHAB CCc1ccc(NC(=O)[C@H](C)OC(=O)CCC(=O)c2ccc(F)cc2)cc1 3278618 OFZRLMHECOKAMC-AWEZNQCLSA-N 371.408 3.921 0 40 FHAB O=C(CN1CCC[C@@H]1c1ccccc1)Nc1ccccc1N1CCCC1=O 10090495 QSJBYPKUGZIJTE-LJQANCHMSA-N 363.461 3.589 0 40 FHAB CCOC(=O)Nc1cccc(C(=O)N[C@@H]2CCN(C3CCCCCC3)C2)c1 58244248 LDUSQIDIJTXIKQ-GOSISDBHSA-N 373.497 3.782 0 40 FHAB Cc1cnc2c(S(=O)(=O)N[C@H]3CCc4cc(F)ccc43)cccc2c1 58415127 OTSOCHFBGOWXGE-KRWDZBQOSA-N 356.422 3.648 0 40 FHAB O=c1/c(=C/c2c(Cl)cccc2Cl)sc2nnc(-c3ccccc3)n12 2257750 WZCFZUXJUICANE-ZROIWOOFSA-N 374.252 3.673 0 40 FHAB C[C@@H](Sc1nncn1C1CC1)C(=O)c1ccc(Br)cc1 10648644 CTLLWHDMUYFUSO-SECBINFHSA-N 352.257 3.739 0 40 FHAB Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)n2C)c(C)n1C 3378670 LRCDTLULQOCUHV-UHFFFAOYSA-N 358.442 3.552 0 40 FHAB COc1cccc(NC(=O)CSCc2nc(-c3cccs3)no2)c1 36396226 LIHLCLQZNLCGMM-UHFFFAOYSA-N 361.448 3.679 0 40 FHAB CCCc1nc2oc3c(N[C@@H](CC)CO)ncnc3c2c2c1CCCC2 2358657 DBDPFYBHMBNCNA-LBPRGKRZSA-N 354.454 3.785 0 40 FHAB CCn1cc(-c2cc(C(F)(F)F)nc(N3CCC[C@@H](C)C3)n2)c(C)n1 36618614 ALGDPAYEZMKJJB-LLVKDONJSA-N 353.392 3.924 0 40 FHAB O=C(Nc1cc(Cl)cc(Cl)c1)N[C@@H](Cc1ccccc1)C(=O)O 2413779 KOVPFIKRATYAOA-AWEZNQCLSA-N 353.205 3.811 0 40 FHAB CC(=O)Nc1cccc([C@H](C)NC(=O)CCSCc2ccccn2)c1 48247706 DYPGONXJEZMPSV-AWEZNQCLSA-N 357.479 3.541 0 40 FHAB C[C@H]1CCCN(Cc2csc(NC(=O)c3cc(F)cc(F)c3)n2)C1 12793497 DCTKXEPCGMDNBP-NSHDSACASA-N 351.422 3.906 0 40 FHAB COc1ccc2c(C)c(CCC(=O)Nc3ccc(F)c(F)c3)c(=O)oc2c1 12981482 BZHCFNUFKLRRCT-UHFFFAOYSA-N 373.355 3.960 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C)cc1C 13018630 DKTRYJRAFMWXEJ-UHFFFAOYSA-N 366.396 3.839 0 40 FHAB Cc1cc(C(=O)Oc2ccc(OCC3CC3)cc2)ccc1N1CCNC1=O 63717565 PXAQOOZKGDBSEO-UHFFFAOYSA-N 366.417 3.533 0 40 FHAB CCCCn1c(S(=O)(=O)Cc2cc(C)ccc2OC)nc(C)c1C 63870281 MGNNZYOVCOHDLT-UHFFFAOYSA-N 350.484 3.591 0 40 FHAB CN(Cc1ccco1)C(=O)COc1ncnc2c(Cl)cc(Cl)cc12 39210236 XALUKLKHQRTXMJ-UHFFFAOYSA-N 366.204 3.567 0 40 FHAB CCc1ccccc1[C@@H](CC(=O)OC)N[C@@H]1C(C)=C(C)C(=O)N1C(C)(C)C 13893028 BPEQGMXSCPTRIG-QUCCMNQESA-N 372.509 3.746 0 40 FHAB CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(CNC(C)=O)cc1 26858647 UQERAPQSLXHLIS-UHFFFAOYSA-N 350.871 3.700 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 4385162 AHZYFCUGELEULV-CQSZACIVSA-N 372.852 3.957 0 40 FHAB COc1ccccc1C(=O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1 4350514 VZKXMUMMJMTBBQ-UHFFFAOYSA-N 374.392 3.966 0 40 FHAB C[C@@H](C(=O)N[C@H]1CCc2ccccc21)n1c(S)nnc1-c1cccs1 65474965 ATJQRRXKLPWLHR-FZMZJTMJSA-N 370.503 3.660 0 40 FHAB COc1ccc(NC(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)cc1 5347157 WIBWJJCJAOYBKY-UHFFFAOYSA-N 367.401 3.690 0 40 FHAB C[C@@H](C(=O)Nc1cccc(F)c1)N(C)CCOc1ccc(Cl)cc1 8532516 KTFNJJSMHMXSJE-ZDUSSCGKSA-N 350.821 3.817 0 40 FHAB Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)N(C(C)C)c3ccccc32)c(C)c1 4554702 QMDNHTJZHMCLOJ-JOCHJYFZSA-N 351.446 3.827 0 40 FHAB COC(=O)c1ccc(CSCC(=O)Nc2ccc3c(c2)CCC3)cc1 6510205 SIJPRNHVTHTRSN-UHFFFAOYSA-N 355.459 3.834 0 40 FHAB CC(C)CC(=O)Nc1ccc2c(c1)nc(Cn1ccnc1)n2CC(C)C 6665430 JIXJIXFEWLZDCS-UHFFFAOYSA-N 353.470 3.922 0 40 FHAB O=C(Cn1ccc2cc(Br)ccc21)Nc1ccc2c(c1)OCO2 6971526 XVHBXIOJYJYMHD-UHFFFAOYSA-N 373.206 3.771 0 40 FHAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N1CCCC1 7160869 WVKKXFKAPODOEY-JTQLQIEISA-N 355.385 3.752 0 40 FHAB C[C@@H](NC(=O)CSc1ccc(F)cc1F)c1ccc(-n2cncn2)cc1 8776722 NJHFTMRFTXEGEM-GFCCVEGCSA-N 374.416 3.515 0 40 FHAB CCNc1nnc(S[C@H](C)c2nnc(-c3ccc(OC)cc3)o2)s1 7248964 UYEDTXNLDTXGAG-SECBINFHSA-N 363.468 3.882 0 40 FHAB O=C(CC1(C(=O)Nc2cccc(C(F)(F)F)c2)CCCC1)NC1CC1 8733809 ACTUZEBSUPTULB-UHFFFAOYSA-N 354.372 3.873 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1ccc2ncsc2c1 15822215 LLGPUARMCOPPMM-LBPRGKRZSA-N 370.430 3.797 0 40 FHAB O=C(NCCc1c[nH]c2ccccc12)c1cc(Cl)c2c(c1)OCCCO2 9387011 FUSXGFGAGZLCLQ-UHFFFAOYSA-N 370.836 3.955 0 40 FHAB CC[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(C)cc2)n1C 9365641 UAGNTZPPGYQNHU-INIZCTEOSA-N 358.511 3.674 0 40 FHAB O=C(Nc1ccc(Cl)cc1)N1CCCN(CCc2ccncc2)CC1 9423329 AEXVLEJGIDDVGH-UHFFFAOYSA-N 358.873 3.517 0 40 FHAB CC(C)(C)n1/c(=N/C(=O)[C@H]2CSc3ccccc3O2)[nH]c2ccccc21 84325720 OLKPRIHHZBGKSP-MRXNPFEDSA-N 367.474 3.705 0 40 FHAB O=C(NCc1cccc2c1OCCCO2)c1cc2ccccc2c(Cl)n1 95429406 WWJZXIAODQIJJC-UHFFFAOYSA-N 368.820 3.980 0 40 FHAB CCCC(=O)N1CCN(c2ccc(NC(=O)CC(C)C)cc2Cl)CC1 408629340 XRWXOODHPVDNPU-UHFFFAOYSA-N 365.905 3.773 0 40 FHAB Cc1cccc(Nc2nnc(SCc3ccc(F)cc3)n(C)c2=O)c1C 28537401 RNYJNBCJTVFFGA-UHFFFAOYSA-N 370.453 3.967 0 40 FHAB CCOc1ccccc1C(=O)NCCCc1cn(-c2ccccc2)nc1C 32911555 LWRXYWKWKQQBAN-UHFFFAOYSA-N 363.461 3.942 0 40 FHAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC(C(=O)O)CC1 31864525 OZEVTWRCMPYQKG-UHFFFAOYSA-N 364.854 3.709 0 40 FHAB COc1ccc(-c2csc(CNS(=O)(=O)c3ccc(C)cc3)n2)cc1 72264925 JLSIDLSKQXHJAB-UHFFFAOYSA-N 374.487 3.606 0 40 FHAB COC[C@@H](C)NC(=O)c1ccc(OC)c(COc2cccc(Cl)c2)c1 224152761 MTCCGFNHLHBZEQ-CYBMUJFWSA-N 363.841 3.692 0 40 FHAB O=C1CC(c2cccc(N[C@@H]3CCC[C@H](c4cccnc4)C3)c2)CC(=O)N1 562673628 SWFJALXLNCQJAK-HNAYVOBHSA-N 363.461 3.740 0 40 FHAB CC(C)c1ccccc1OCCNS(=O)(=O)Cc1cccc(Cl)c1 223777903 HCATZXZVCOKGSZ-UHFFFAOYSA-N 367.898 3.962 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(C(=O)O)o3)c2)cc1 226353156 FCUIMKADNZOMQK-UHFFFAOYSA-N 357.387 3.754 0 40 FHAB CCOC(=O)c1cccc(NC(=S)NCCCc2cccc(OC)c2)c1 225554128 UPLVCWNRZUIGGJ-UHFFFAOYSA-N 372.490 3.791 0 40 FHAB COCc1cccc(NC(=O)COc2ccc(Br)c(C)c2)c1 224242628 GECNAWYPGLBPPI-UHFFFAOYSA-N 364.239 3.921 0 40 FHAB O=C(COc1ccc(F)cc1)NCCSCc1cccc(Cl)c1 222780220 QDJDVHDWHJUBHI-UHFFFAOYSA-N 353.846 3.908 0 40 FHAB Cc1ccc(OCCCCNC(=O)c2cc3ccccc3oc2=O)cc1 40122451 GNTRQFJFVQNRRI-UHFFFAOYSA-N 351.402 3.690 0 40 FHAB O=C(Cc1ccsc1)NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1 225758085 UNPIFMNHJMFFIC-UHFFFAOYSA-N 372.519 3.527 0 40 FHAB COc1cccc(-c2noc(CN(C)C(=O)c3ccccc3SC)n2)c1 96234432 JXTFWPFFLXGMNV-UHFFFAOYSA-N 369.446 3.739 0 40 FHAB Cc1cnc(N2CCC3(CC2)OCCN(CC2CC2)c2ccccc23)nc1 96243966 WYMVSMJFSGOJDO-UHFFFAOYSA-N 364.493 3.527 0 40 FHAB Cc1ncsc1CN1CC2(C1)OCC[C@H]2CCOCC1CCCC1 248028312 LDOQHHVCWIQCEH-QGZVFWFLSA-N 350.528 3.639 0 40 FHAB CCn1cc(-c2nccnc2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1 257329938 XMCMKLAHGLFZAT-OAHLLOKOSA-N 371.485 3.550 0 40 FHAB O=S(=O)(c1ccsc1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 585081721 MUCGWXMZOUFBKM-MRXNPFEDSA-N 371.911 3.536 0 40 FHAB Cc1cc(NCc2c[nH]nc2-c2ccsc2)ccc1N1CCN(C)CC1 1320547111 GDWCMTDXVXORQP-UHFFFAOYSA-N 367.522 3.811 0 40 FHAB O=C(NC1CCCCC1)N1CCC(Oc2cnc3ccccc3n2)CC1 90678674 XTRSCWUWNONNHC-UHFFFAOYSA-N 354.454 3.515 0 40 FHAB CC(C)(C)C(=O)Nc1ccc(C(=O)NCc2ccc(Cl)cc2F)cn1 1128226805 FVVGHQFDBGNRCF-UHFFFAOYSA-N 363.820 3.789 0 40 FHAB Cc1ccc([C@@H](CNC(=O)/C=C/c2ccccc2Cl)OCCO)cc1 96337744 GRYDLFKCDNZWJM-GNISGLHKSA-N 359.853 3.528 0 40 FHAB OC[C@@]1(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CCCNC1 585263394 YFTKPTBRWCFDMS-HXUWFJFHSA-N 366.490 3.562 0 40 FHAB Cc1cc(CN(C)C(=O)CCc2nc3ccccc3n2-c2ccccc2)no1 52606785 GXVVLIICCJBSBL-UHFFFAOYSA-N 374.444 3.913 0 40 FHAB CCCNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(C)cc1)N2 5200874 UAOJUPQNGSNELW-HIFRSBDPSA-N 366.387 3.992 0 40 FHAB Cc1cc(NC(=O)COc2ccc(Cl)cc2)ccc1N1CCCC1=O 5439962 STXSUZBCNMVERX-UHFFFAOYSA-N 358.825 3.793 0 40 FHAB COc1ccc(NC(=O)COc2ccccc2C)cc1N1CCCCC1=O 5441976 MKZBBTAWGAKKED-UHFFFAOYSA-N 368.433 3.538 0 40 FHAB O=C1OC(C23CC4CC(CC(C4)C2)C3)=N/C1=C\c1ccc2c(c1)OCCO2 5703254 HUQOBUDYWLKIGC-IUXPMGMMSA-N 365.429 3.970 0 40 FHAB O=C(/C=C/c1cccc(F)c1)N1C[C@@H]2C[C@H]1C(=O)N2c1ccccc1Cl 12150304 LBHXLBNPORMXRI-CLGUQGEQSA-N 370.811 3.509 0 40 FHAB Cc1sc2nc([C@H]3CCCN(C(=O)c4ccco4)C3)nc(O)c2c1C 12336878 ZKGNHSXRTCQMJI-LBPRGKRZSA-N 357.435 3.627 0 40 FHAB CCCN1C[C@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2c(F)cccc2F)C1 12364770 BFIBFTQGBQYMON-APWZRJJASA-N 374.431 3.581 0 40 FHAB Cc1nc(-c2nc(NCCN(C)C)ncc2-c2ccsc2)sc1C 12751602 YUKUFYRCUVNLIC-UHFFFAOYSA-N 359.524 3.919 0 40 FHAB C[C@@H](Sc1ncnc2[nH]cnc12)C(=O)Nc1cccc(Cl)c1Cl 13578865 RYQVYSFYSOTULY-SSDOTTSWSA-N 368.249 3.779 0 40 FHAB O=C(Nc1ccnn1Cc1ccc(Br)cc1)[C@H]1CC=CCC1 14637545 OJSWKMWGJJUKBF-AWEZNQCLSA-N 360.255 3.989 0 40 FHAB Cc1ccc(NC(=O)N2CCC(NC(=O)c3cccc(C)c3)CC2)cc1 15936148 RJDHCKUCFGRLKD-UHFFFAOYSA-N 351.450 3.730 0 40 FHAB Cc1cccc(CN(C)C2CCC3(CC2)CNCc2ccccc2O3)n1 19236100 IOFIWTDSYMDOMK-UHFFFAOYSA-N 351.494 3.685 0 40 FHAB COc1ccc(F)cc1[C@H](O)CN1CCC[C@@H](c2nc3ccccc3[nH]2)C1 19559132 FFQFCTWXWGLSBF-AUUYWEPGSA-N 369.440 3.624 0 40 FHAB COc1ccc2c(c1)OCC(CN(Cc1ccccn1)C[C@@H]1CCCO1)=C2 19663003 AVRDZMPOSUWXBP-NRFANRHFSA-N 366.461 3.547 0 40 FHAB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccco3)C(=O)O)o2)c1 7342155 DUUMDKXEVSDMCW-ZROIWOOFSA-N 374.374 3.565 0 40 FHAB Cc1ccc(OCC(=O)Nc2cc(C)c3nc(NN)sc3c2)cc1C 226313217 CBJREZLZAJSKLA-UHFFFAOYSA-N 356.451 3.525 0 40 FHAB COc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)cn1 29571749 VOHOKNYPGVQZOJ-UHFFFAOYSA-N 350.349 3.713 0 40 FHAB COc1cccc(-c2ccc(SCC(=O)N3CCCCCC3)nn2)c1 4356503 GRRUXEDWRGEYCN-UHFFFAOYSA-N 357.479 3.647 0 40 FHAB COc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 5373844 YYLDFYCAUCAEMC-UHFFFAOYSA-N 350.418 3.637 0 40 FHAB Cc1ccc(-c2noc(-c3nnn(-c4cc(Cl)ccc4C)c3N)n2)cc1 6868176 FYQPDWFOKSKAIC-UHFFFAOYSA-N 366.812 3.837 0 40 FHAB CCOc1cccc2sc(NS(=O)(=O)c3ccc(OC)cc3)nc12 8864630 NBGDFOVHJJWKPU-UHFFFAOYSA-N 364.448 3.504 0 40 FHAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccccc3C)cc21 17286649 GGYFXEDBJGSYLY-UHFFFAOYSA-N 372.490 3.740 0 40 FHAB O=C1OC2(CCN(C(=O)c3c(F)cccc3Cl)CC2)c2ccccc21 206768680 ISAWKIRKNYCXGA-UHFFFAOYSA-N 359.784 3.781 0 40 FHAB COc1ccc(C(=O)NC[C@H](c2ccsc2)n2nc(C)cc2C)cc1F 575612994 FAGWTUODUUNIEX-QGZVFWFLSA-N 373.453 3.729 0 40 FHAB O=C(c1csc(-c2ccccc2)n1)N1CCC[C@@H](Oc2ccncc2)C1 575613822 VCVYBVJYLUOSLB-QGZVFWFLSA-N 365.458 3.889 0 40 FHAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)s1)c1ccc2c(c1)OCO2 585147955 KFVBUAKMGKNRKM-GFCCVEGCSA-N 373.455 3.669 0 40 FHAB CC1(C)SC(NC(=O)Nc2ccccc2)=NN1C(=O)c1ccccc1 72422405 BHTBZBZXDWTPEV-UHFFFAOYSA-N 354.435 3.704 0 40 FHAB CCN(Cc1nccn1Cc1ccccc1)C[C@H]1COc2ccccc2O1 40071605 HZSGIUKJEQIVGA-IBGZPJMESA-N 363.461 3.593 0 40 FHAB COc1cc(CNC(=O)C[C@@H]2C=CCC2)ccc1OCc1cccnc1 40089063 VAVSAPLFBRHDDE-MRXNPFEDSA-N 352.434 3.642 0 40 FHAB C[C@@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 40159933 WNGBTUOHTLOWQY-IUODEOHRSA-N 352.862 3.917 0 40 FHAB c1ccc(Cc2noc(CN(Cc3cccs3)C[C@@H]3CCCO3)n2)cc1 40105761 WZBOQDYGBKKDDN-KRWDZBQOSA-N 369.490 3.903 0 40 FHAB CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cnc2ccccc2n1 31089973 UDBSUEZOBQFEBO-UHFFFAOYSA-N 361.323 3.801 0 40 FHAB O=C(COC(=O)c1ccc(Cl)cc1)NCc1ccccc1C(F)(F)F 51356313 IDJIDMYXOWCMND-UHFFFAOYSA-N 371.742 3.832 0 40 FHAB Cn1c(=O)c2ccccc2n2c(CNc3cc(Cl)cc(Cl)c3)nnc12 11549358 SDFXOBDWHOBLIM-UHFFFAOYSA-N 374.231 3.500 0 40 FHAB CC[C@H](C)NC(=O)c1ccc2nc(NC(=O)c3ccc(N)cc3)sc2c1 911848 NFZRBVKLAVRZMO-NSHDSACASA-N 368.462 3.659 0 40 FHAB Ic1cc2c(cc1C1SCCCS1)OCO2 1630479 DWDQPRSTYAEEQC-UHFFFAOYSA-N 366.245 3.889 0 40 FHAB CC[C@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1cccc(OC)c1 3895984 TVHHQFZTTUWSAZ-WIUGKXBGSA-N 360.498 3.991 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc(O)cc2)o1 4217810 POOYOJMZFKOYKM-LBPRGKRZSA-N 367.430 3.512 0 40 FHAB COc1cccc(OC)c1C(=O)Nc1nnc(-c2ccc(Cl)cc2)o1 4330243 QGYCKIOQKTVLRB-UHFFFAOYSA-N 359.769 3.660 0 40 FHAB Cc1ccc([C@H](C)NC(=O)CSc2nc(-c3ccco3)n[nH]2)cc1C 32873575 TUGNOTPIJALVTH-ZDUSSCGKSA-N 356.451 3.651 0 40 FHAB C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)Sc1nnc2c(n1)[nH]c1ccccc12 4897821 PZEKONNQSHIONF-FRRDWIJNSA-N 369.494 3.776 0 40 FHAB Cc1ccc(CN(C)C(=O)CSc2nnc(-c3ccccc3F)o2)cc1 4987527 VQVFOYMCCAGDJT-UHFFFAOYSA-N 371.437 3.935 0 40 FHAB CCN(CC)C(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 6205132 YZWBQQHNJLBDQV-UHFFFAOYSA-N 374.506 3.895 0 40 FHAB CCN1C(=O)N/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C1=O 6630207 BTBWOIBUOABCBB-WOJGMQOQSA-N 363.392 3.741 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)c1cccc(Br)c1 7643917 DBAAJHZVHXAAFJ-UHFFFAOYSA-N 361.239 3.841 0 40 FHAB COc1cc(OC)c(OC)cc1CNC(=O)c1cc2ccccc2s1 7986868 WNQZIHKJSHLNNG-UHFFFAOYSA-N 357.431 3.857 0 40 FHAB Cc1c(NC(=O)c2ccc(OC(C)C)cc2)c(=O)n(-c2ccccc2)n1C 682494 BHHDGTKPDHTETB-UHFFFAOYSA-N 365.433 3.524 0 40 FHAB CCOC(=O)[C@H]1CCCN([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 105119468 QYNVFLZSLOSVSD-NEPJUHHUSA-N 373.280 3.596 0 40 FHAB CCOc1cc2c(cc1CNc1nccc(C(F)(F)F)n1)O[C@@H](C)C2 24054753 RLQCZXFJERSWFK-JTQLQIEISA-N 353.344 3.830 0 40 FHAB CC(C)c1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1 24045458 UURVWAQQQUHUMU-NRFANRHFSA-N 352.478 3.613 0 40 FHAB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccco3)[C@H]2C1=O 101201543 GDRZUJHCHDPAKO-AQNXPRMDSA-N 374.396 3.639 0 40 FHAB COc1ccc(CCC(=O)Nc2ccccc2NC(=O)NC(C)C)cc1 47375531 YGMBLSYDVWMYNX-UHFFFAOYSA-N 355.438 3.796 0 40 FHAB CC(C)(C)OC(=O)[C@H](N)Cc1cn(C(=O)OC(C)(C)C)c2ccccc12 113936215 HUJOZLUMSHQHDO-OAHLLOKOSA-N 360.454 3.636 0 40 FHAB O=C(c1ccc(C2OCCO2)cc1)c1ccc(Br)cc1F 43212673 VNSNYEDCQRYVHT-UHFFFAOYSA-N 351.171 3.865 0 40 FHAB COc1cccc(C(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)c1 12485859 QBINHNJYYUKFOH-KRWDZBQOSA-N 355.463 3.796 0 40 FHAB O=C(Nc1cccnc1)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 3041347 IBADUBIQDVCYNB-UHFFFAOYSA-N 374.227 3.851 0 40 FHAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(-n2cc[nH]c2=S)cc1 47572657 POZWANHTQHCWQC-UHFFFAOYSA-N 367.430 3.948 0 40 FHAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)cc1Cl 57405960 NDBFHRYKGXIGFW-LJQANCHMSA-N 358.869 3.785 0 40 FHAB COc1ccc(CCCNC(=O)CCCOc2ccc(C)cc2)cc1OC 65086718 LHVQKTCPXYFQHG-UHFFFAOYSA-N 371.477 3.920 0 40 FHAB CN(C)C(=O)Cc1ccccc1NCc1nc(-c2ccc(Cl)cc2)no1 58159604 OHQJGFFELCNICH-UHFFFAOYSA-N 370.840 3.633 0 40 FHAB COc1ccc(CC(=O)NC[C@H](c2ccc(C)cc2)N2CCCCC2)cc1 27662132 GDOBVFWXFYIHGA-JOCHJYFZSA-N 366.505 3.890 0 40 FHAB CN(C(=O)Cc1csc(-c2ncccn2)n1)[C@H]1CCCc2ccccc21 58251398 QNJURYGMJXSPST-KRWDZBQOSA-N 364.474 3.679 0 40 FHAB Cc1nccn1-c1ccccc1CNC(=O)[C@@H](C)Sc1ccccc1 20104142 BMDMYQKMOBQHSO-OAHLLOKOSA-N 351.475 3.978 0 40 FHAB c1ccc(OCCCN2CCN(CCCOc3ccccc3)CC2)cc1 22580962 DNWSNLLGGOBYQN-UHFFFAOYSA-N 354.494 3.542 0 40 FHAB CCS(=O)(=O)N1c2ccc(C(=O)Nc3cccc(C)c3C)cc2C[C@@H]1C 20448955 OGBCDXQADOBUFM-AWEZNQCLSA-N 372.490 3.656 0 40 FHAB O=C(CSc1nncn1C1CC1)N[C@H](c1ccccc1)c1cccs1 10649421 MFEMFBPUZHMNPB-QGZVFWFLSA-N 370.503 3.672 0 40 FHAB COc1ccc(-c2nc(C(=O)OCc3ncc(Cl)n3C)cs2)cc1 28368344 PLXMFCIRWMJUAQ-UHFFFAOYSA-N 363.826 3.563 0 40 FHAB CCCOC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc12 2427407 KQVYFARFPWMSFT-UHFFFAOYSA-N 364.380 3.862 0 40 FHAB O=C(CSc1nc2c3ccccc3ncn2n1)Nc1cccc(Cl)c1 12863320 ZWMXXNAVLHBOMP-UHFFFAOYSA-N 369.837 3.662 0 40 FHAB O=C(Nc1ccccc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3481030 QIIKNFMLEZNPCU-UHFFFAOYSA-N 358.463 3.504 0 40 FHAB Cc1ccc(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c(C)c1 3499405 MMWSCXKVNVTTIM-UHFFFAOYSA-N 372.446 3.515 0 40 FHAB O=C1C[C@@H](C(=O)OCc2cc(-c3cccs3)on2)c2ccc(F)cc2N1 12947254 CQRHNIQWZOKXSL-CYBMUJFWSA-N 372.377 3.711 0 40 FHAB O=S(=O)(NC1(c2ccccc2)CCC1)c1ccc(OC(F)(F)F)cc1 12937002 WYPSYMRORUDNOV-UHFFFAOYSA-N 371.380 3.943 0 40 FHAB Nc1nc2n(n1)[C@@H](c1c(F)cccc1Cl)C[C@@H](c1ccc(F)cc1)N2 13131477 AXWXXRPVAUOWKM-UONOGXRCSA-N 361.783 3.938 0 40 FHAB aggregator CC(=O)Nc1ccc(NC(=O)[C@H](NC(=O)C2CCC(C)CC2)C(C)C)cc1 3895690 BELKNGJWBKIDDS-GSQSYGFSSA-N 373.497 3.551 0 40 FHAB CC(=O)NC1(C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)CCC(C)CC1 64301377 ZJOZFXVQQFEBDL-UHFFFAOYSA-N 369.465 3.982 0 40 FHAB COc1cccc2cc(C(=O)Nc3ccc(CN4CCOCC4)cc3)oc12 13689829 ZMCFSMSMINSFBA-UHFFFAOYSA-N 366.417 3.526 0 40 FHAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc2c(Cl)cc(Cl)cn12 6099646 SJVXLELOPUESBD-UWVGGRQHSA-N 373.309 3.918 0 40 FHAB COc1cccc(-c2noc(-c3cc(-c4cccs4)n[nH]3)n2)c1OC 9002129 FRESWNYTYCRTSP-UHFFFAOYSA-N 354.391 3.872 0 40 FHAB C(=C/c1nn2c(-c3ccc4c(c3)OCO4)nnc2s1)\c1cccs1 13730825 DMHKFJLMJRIOHI-GQCTYLIASA-N 354.416 3.813 0 40 FHAB Cc1ccc(C)c(N2N=C(C(=O)N(C)Cc3sccc3C)CCC2=O)c1 69552752 IMJASKXLEVNKCW-UHFFFAOYSA-N 369.490 3.815 0 40 FHAB O=C(/C=C/c1ccc(Cl)cc1)N[C@@H](CN1CCOCC1)c1ccccc1 14181528 HUAWICFZLFYNOQ-ZBWUASRJSA-N 370.880 3.543 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)COc1ccccc1C(C)(C)C 14140435 RVXLTRMNZNAIQR-UHFFFAOYSA-N 370.449 3.969 0 40 FHAB O=c1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)oc2ccccc12 4663114 VCRVJQGVNNCNGO-UHFFFAOYSA-N 350.399 3.637 0 40 FHAB CCOC(=O)[C@@H]1C(=O)OC(C)(C)[C@@H]1[C@@H](CC)C(=O)c1c(C)cc(C)cc1C 4686192 AUGICTWZDMWTJI-KBAYOESNSA-N 374.477 3.952 0 40 FHAB CC(C)N(C)C(=O)COC(=O)c1ccc2noc(-c3ccccc3)c2c1 7181615 UDZCGFGMDATZON-UHFFFAOYSA-N 352.390 3.518 0 40 FHAB COC(=O)c1cc(CSCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)oc1C 7146900 PWMHLHYREFCKQW-BFQNTYOBSA-N 353.484 3.549 0 40 FHAB O=C(CSc1nncs1)N[C@@H](Cc1ccccc1)c1ccccc1 7442646 VPBRAMWKCYMXSF-INIZCTEOSA-N 355.488 3.730 0 40 FHAB C[C@H](NC(=O)CSc1ncnc2c1oc1ccccc12)c1ccco1 7566888 FDDYHNYZQIMWNP-NSHDSACASA-N 353.403 3.939 0 40 FHAB O=C(COC(=O)c1cc(Cl)ccc1F)NCc1cccc(Cl)c1 7526671 QEDJKSAEKAEMRT-UHFFFAOYSA-N 356.180 3.606 0 40 FHAB O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCCc3ccccc32)CC1 16022982 WSGWCCMYKJPFLE-UHFFFAOYSA-N 366.436 3.657 0 40 FHAB CCOC(=O)CCc1c(C)c2ccc3c(c2oc1=O)CN(C(C)(C)C)CO3 9305713 IOAKUWXWMZGGGC-UHFFFAOYSA-N 373.449 3.548 0 40 FHAB O=C(Cc1cn2ccsc2n1)N[C@@H](c1ccccc1)c1cccs1 9337718 JAJOWRNWWKVNAF-KRWDZBQOSA-N 353.472 3.906 0 40 FHAB CC(C)n1ncc2c(C(=O)Nc3ccn(C)n3)cc(-c3cccs3)nc21 9314203 HJPUUMHDBLQJGK-UHFFFAOYSA-N 366.450 3.727 0 40 FHAB O=C1N/C(=N\c2ccc(F)cc2)S/C1=C/c1cc(F)cc2c1OCOC2 9384703 IMESNMJOEKTDJC-VIZOYTHASA-N 374.368 3.723 0 40 FHAB COc1cc(CNC(=O)c2cccc(Cl)c2Cl)cc(OC)c1OC 9479285 FNDABTCBKCDMPQ-UHFFFAOYSA-N 370.232 3.949 0 40 FHAB COc1cccc(-n2nnnc2SCC(=O)c2ccc(C(C)C)cc2)c1 28047733 ITFLXNIOEHJVHS-UHFFFAOYSA-N 368.462 3.769 0 40 FHAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCNC(=O)c1ccccc1 71844224 BIFNVIJKFSOBPY-NHCUHLMSSA-N 364.489 3.991 0 40 FHAB CCOc1ccc(-c2n[nH]c(=S)n2CC(=O)NC2CCCCCC2)cc1 9604181 RAXVMQICKPACBE-UHFFFAOYSA-N 374.510 3.845 0 40 FHAB O[C@H](CNCc1cccc(Cl)c1Cl)CN1CCc2ccccc2C1 96747831 FVFGFWREHFZIBY-QGZVFWFLSA-N 365.304 3.502 0 40 FHAB Cc1ccc(C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@H]2C)c(=O)[nH]1 95413196 XRMVWWJRKCGVAX-SNVBAGLBSA-N 351.233 3.750 0 40 FHAB Cc1nc(C2CCCC2)sc1C(=O)N[C@H](C)[C@@H](O)Cc1ccccc1 89559316 VPXPUTVHRHTBHG-DYVFJYSZSA-N 358.507 3.831 0 40 FHAB COC(=O)c1ccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 22530953 JKSKLVBIWDLNAF-INIZCTEOSA-N 366.461 3.957 0 40 FHAB CCN1CCN(C(=O)c2cc3occc3n2Cc2ccccc2Cl)CC1 35475360 HYFJHYFEGPKHLJ-UHFFFAOYSA-N 371.868 3.714 0 40 FHAB COc1cc(CNc2cccc(C(=O)O)c2)cc(Br)c1OC 314228352 CPGQTAMFLCPPSS-UHFFFAOYSA-N 366.211 3.777 0 40 FHAB CSc1nc(Cl)cc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1 72203249 ZRWBQNWPTYDHKQ-NSHDSACASA-N 372.922 3.688 0 40 FHAB COc1ccc(S[C@H](C)C(=O)NCCSCc2ccco2)cc1 30868727 UFQCDMGTPVGQEO-CYBMUJFWSA-N 351.493 3.818 0 40 FHAB O=C(NCCc1ccc(OC(F)F)cc1)c1cnc(Cl)c(Cl)c1 7779043 MFOBBERKQRCEIQ-UHFFFAOYSA-N 361.175 3.962 0 40 FHAB CCc1ccc(NC(=O)COc2ccc(Cl)cc2-n2cnnc2)cc1 32646813 PYRMMTMCEHEVEN-UHFFFAOYSA-N 356.813 3.501 0 40 FHAB Cc1nnc(SCC(=O)Nc2cccc(F)c2)n1CCc1ccccc1 35289454 OVCQNPFZCOSWDB-UHFFFAOYSA-N 370.453 3.699 0 40 FHAB O=C(CN1C(=O)S/C(=C/c2cccc(O)c2)C1=O)c1ccc(Cl)cc1 210288367 QPQCSSIVMIEIBU-CXUHLZMHSA-N 373.817 3.965 0 40 FHAB O=S(=O)(c1ccccc1OC(F)(F)F)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 670890512 BHVOGOQZMQDNAI-KBPBESRZSA-N 373.396 3.991 0 40 FHAB Cc1cc(OCc2ccc([C@@H]3N[C@H](C(=O)O)CS3)o2)ccc1Cl 36624036 XJESZXOUKUJGHR-DZGCQCFKSA-N 353.827 3.609 0 40 FHAB COc1ccc(-c2oc3c(OC)c(OC)ccc3c(=O)c2OC)c(OC)c1 71404847 PZIFZSNOXNBMLJ-UHFFFAOYSA-N 372.373 3.503 0 40 FHAB CCOC(=O)c1c(NCc2ccccc2C)c2cccc(C)c2[nH]c1=O 49001475 FTBFRMIOIDVDIP-UHFFFAOYSA-N 350.418 3.934 0 40 FHAB Cc1cccc(-c2noc(CN(C)C(=O)Cc3cccc(Cl)c3)n2)c1 225863290 TWNGOMRJKVEJRR-UHFFFAOYSA-N 355.825 3.900 0 40 FHAB CC(C)N(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1 40009439 VMCRASHUZVDRNC-UHFFFAOYSA-N 371.506 3.579 0 40 FHAB CCOC(=O)c1ccc(NC(=S)NCCCOC2CCCC2)c(C)c1 225620266 ZAVGXAAAWRVPHV-UHFFFAOYSA-N 364.511 3.807 0 40 FHAB COC(=O)c1[nH]ccc1OCc1nnc(-c2ccc(Cl)cc2Cl)o1 569946783 NPUJADHSGJNOFZ-UHFFFAOYSA-N 368.176 3.737 0 40 FHAB C[C@@H]1OCCN(Cc2c(C(=O)O)oc3ccc(Br)cc23)[C@@H]1C 570404003 ZEBJIGIUOQYKOP-ZJUUUORDSA-N 368.227 3.503 0 40 FHAB CC(C)(C)OC(=O)N1CC[C@H](NCc2ccccc2Br)C1 83552597 DGRVYHJMFCAMPT-ZDUSSCGKSA-N 355.276 3.548 0 40 FHAB COc1cccc([C@@H]2CN([C@H](C(=O)O)c3cccc(Cl)c3)CCO2)c1 577380692 HXNARWQRBAJXHF-ROUUACIJSA-N 361.825 3.548 0 40 FHAB Fc1ccccc1CN1CCC2(CC1)C[C@@H](OCc1ccncc1)CO2 96106851 YNHHZALEBQMHEZ-LJQANCHMSA-N 356.441 3.561 0 40 FHAB Cc1nc([C@H](Cc2ccsc2)NC(=O)[C@@H]2C[C@H]3C=C[C@H]2O3)sc1C 251981876 GBYWVDVCHUMISO-LVQVYYBASA-N 360.504 3.565 0 40 FHAB O=C(c1cncnc1)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257235267 GXCMKKLSFXSRMN-QGZVFWFLSA-N 368.824 3.686 0 40 FHAB CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cc2cc(F)ccc2[nH]1 257211882 CAXQOXCLJSBVNW-DZJZLKLXSA-N 355.457 3.784 0 40 FHAB CN(Cc1ccc(F)c(Cl)c1)C(=O)[C@H]1CCN(C(=O)c2ccccc2)C1 626665484 JTLRUKISIYZCKG-INIZCTEOSA-N 374.843 3.600 0 40 FHAB O=C(NCc1cnn(CC(F)(F)F)c1)N[C@H](C1CCCC1)C1CCC1 645279062 PKTQORZECTWIAP-OAHLLOKOSA-N 358.408 3.604 0 40 FHAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H]2C[C@@H](O)C23CCC3)c1 666475545 GBYSIQFPTHGLSD-LSDHHAIUSA-N 365.861 3.504 0 40 FHAB C[C@H](NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1ccns1 1623820750 HMKNQIANOAHYJZ-LBPRGKRZSA-N 351.431 3.631 0 40 FHAB CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)Nc1ccc2c(c1)OCCCO2 604404460 HJDSWBMHHQTXSX-FUHWJXTLSA-N 373.497 3.576 0 40 FHAB biogenic Cc1cccc(CS(=O)(=O)NCCc2ccc(-c3ccoc3)s2)c1 390828631 BMIYOPMYMWJUHN-UHFFFAOYSA-N 361.488 3.979 0 40 FHAB Cn1cc([C@@H](O)CNC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 96096457 NDIMAURBDJTNOY-KRWDZBQOSA-N 363.244 3.949 0 40 FHAB CN(CC(=O)N[C@@H]1CCSc2ccc(F)cc21)c1ccc(Cl)cn1 53153745 FGEIVHIDVMLCRU-CQSZACIVSA-N 365.861 3.664 0 40 FHAB CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2noc(C3CC3)n2)c2ccccc21 58244131 KKJLRMVPKCBHEB-GRDNDAEWSA-N 368.481 3.744 0 40 FHAB Cc1ccc(NC(=O)NCc2nc(C3CC3)no2)c(OCC(F)(F)F)c1 56739438 YIUFIVZQFUTYSI-UHFFFAOYSA-N 370.331 3.518 0 40 FHAB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(N3CCOCC3)cc2)c1 1410136 QMHGVCPECVJPQU-XMHGGMMESA-N 361.445 3.686 0 40 FHAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)OCO2 5118485 LZEHSNKGFFAOKB-UHFFFAOYSA-N 368.172 3.518 0 40 FHAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(Br)c2)c1 5358072 BGSNCEFTWSFFFA-UHFFFAOYSA-N 366.211 3.727 0 40 FHAB O=C(N[C@H](c1ccccc1)c1cccnc1)c1cc2c([nH]c1=O)CCCCC2 12148272 UEXQVSNVHWTJDE-OAQYLSRUSA-N 373.456 3.558 0 40 FHAB COc1cccc([C@H]2C[C@@H](c3ccccc3Cl)n3nc(N)nc3N2)c1 13127475 HABVYQVBAGMWHH-CVEARBPZSA-N 355.829 3.669 0 40 FHAB Cc1ccc(C(=O)Nc2cc3c(C)nn(-c4ccccc4)c3oc2=O)cc1 14291658 CFFQQWDJFJMIHK-UHFFFAOYSA-N 359.385 3.848 0 40 FHAB C[C@@H]1CN(C(=O)COc2cccc3ccccc23)c2ccccc2NC1=O 15859051 CYNDPUGUUNGVBK-OAHLLOKOSA-N 360.413 3.840 0 40 FHAB COc1ccc(OC[C@H]2[C@H]3CC[C@H](C3)N2C(=O)c2sc(C)nc2C)cc1 19559965 GLSHSTPPYBNSSP-DAYGRLMNSA-N 372.490 3.841 0 40 FHAB Cc1nn2c(NCCCN(C)C)c3c(nc2c1-c1ccc(F)cc1)CCC3 19582099 SVJUGOHDZBVICW-UHFFFAOYSA-N 367.472 3.696 0 40 FHAB N#CCOc1ccccc1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)O 7342923 WCRRTDBEFZAQFO-WJDWOHSUSA-N 351.387 3.683 0 40 FHAB Cc1cc(N(Cc2ccco2)C[C@H]2CCCO2)nc(-c2cccnc2)n1 155407962 GFFMWVCMCLXGMG-GOSISDBHSA-N 350.422 3.626 0 40 FHAB Cc1csc2c(N3CCC(N(C)c4ncc(Cl)cn4)CC3)ncnc12 1889145814 OLHKYCAEQLJTLC-UHFFFAOYSA-N 374.901 3.548 0 40 FHAB CC(=O)Nc1cc(NCC(=O)N[C@@H](C)c2cc3ccccc3o2)ccc1F 40051294 MCQYBSLTUNBXEO-LBPRGKRZSA-N 369.396 3.820 0 40 FHAB CCn1nccc1-c1ccc(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)cn1 2037670906 IZJRNRHYMQKOEK-QGZVFWFLSA-N 354.498 3.792 0 40 FHAB CCCCc1ccc(NC(=O)Cn2ccc3c(OC)cccc3c2=O)cc1 2706572 CUMXBCHYXSHWJA-UHFFFAOYSA-N 364.445 3.991 0 40 FHAB COc1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)c(OC)c1 4275903 SLBBSSPGXZVVNW-UHFFFAOYSA-N 359.769 3.660 0 40 FHAB Cc1ccc(NC(=O)Nc2nc(C)c(C(=O)NCc3ccco3)s2)cc1 8771425 FCWCRJXMDUHJOP-UHFFFAOYSA-N 370.434 3.927 0 40 FHAB CCOc1ccc(OCC(=O)Nc2ccc(-c3nnc(CC)o3)cc2)cc1 12443889 DSFVLBCFJZHDIW-UHFFFAOYSA-N 367.405 3.715 0 40 FHAB c1cncc(COC[C@@H]2CN(CC3CCCCC3)Cc3ccnn3C2)c1 2055713222 IGBUGAWMMJXTER-HXUWFJFHSA-N 354.498 3.507 0 40 FHAB O[C@H](CNc1ncc(Br)cn1)c1cc(-c2ccco2)cs1 1775970817 RRMSFTVFSGRVCI-LLVKDONJSA-N 366.240 3.706 0 40 FHAB COCCOc1ccc(C(=O)NCc2cccnc2-c2cccs2)cc1 225760499 BDCLDUWZNAXTDJ-UHFFFAOYSA-N 368.458 3.765 0 40 FHAB O=S(=O)(NC[C@@H](c1ccco1)c1cccs1)c1c(F)cccc1F 585146825 VNGGPGRNLCIERJ-NSHDSACASA-N 369.414 3.730 0 40 FHAB FC(F)(F)c1nnc2n1CCN(Cc1ccc(Cl)c(Cl)c1)C2 150913542 CYFMGROQWXFNBK-UHFFFAOYSA-N 351.159 3.620 0 40 FHAB Cc1nc(C(=O)N2CCCCc3ccccc32)nn1-c1ccc(F)cc1 40133917 GPGVRYBMHZXDEW-UHFFFAOYSA-N 350.397 3.698 0 40 FHAB COC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)c(C)c1 31727401 FJNUHSSAEXDOAT-CQSZACIVSA-N 353.418 3.676 0 40 FHAB CC(C)c1cccc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)c1 51319605 HTWXXJYYLGVJBI-UHFFFAOYSA-N 365.408 3.812 0 40 FHAB O=C1C[C@H](Nc2ccc(F)c(F)c2)C(=O)N1c1cccc(C(F)(F)F)c1 2623509 CKSREIRIBGAUFY-AWEZNQCLSA-N 370.277 3.728 0 40 FHAB COc1ccc(CN(C)C(=O)c2ccc3nc(C)c(C)nc3c2)c(OC)c1 32740740 ZIKQMRUUTRMAGA-UHFFFAOYSA-N 365.433 3.536 0 40 FHAB CCCOc1c(Cl)cc(C(=O)OCC(=O)NC(C)(C)C)cc1OCC 3381725 MIGYINIKQSDINT-UHFFFAOYSA-N 371.861 3.599 0 40 FHAB C[C@@H](OC(=O)c1ccccc1O)C(=O)Nc1ccc(Cl)cc1Cl 3512455 LPBWASXWVULKPU-SECBINFHSA-N 354.189 3.883 0 40 FHAB C=C1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccccc1OCC 4087054 IKIBREVXJRWPHR-UHFFFAOYSA-N 353.418 3.772 0 40 FHAB biogenic COc1cc2nc(NC(=O)Cc3c[nH]c4ccccc34)sc2cc1OC 21559033 HDLZTPJNORZEMN-UHFFFAOYSA-N 367.430 3.976 0 40 FHAB O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1cccc(Cl)c1 4716466 SSVNDPDHEGTUAO-UHFFFAOYSA-N 358.671 3.803 0 40 FHAB O=C(OCc1ccc(I)cc1)c1ccccc1F 6251770 ZEJSQPZNZIQFGE-UHFFFAOYSA-N 356.134 3.787 0 40 FHAB COc1cc(OC)cc(-c2nnc(-c3ccc(Br)o3)o2)c1 6490532 RMJNYFMDZLZDBY-UHFFFAOYSA-N 351.156 3.776 0 40 FHAB CCOc1ccc(S(=O)(=O)NCCSCc2cccc(C)c2)cc1 6963591 UUUWEHSJHPJIKN-UHFFFAOYSA-N 365.520 3.605 0 40 FHAB Cc1ccc(-c2noc(CNC(=O)COc3cc(C)cc(C)c3C)n2)cc1 7759675 MECWFGLQJQKQBE-UHFFFAOYSA-N 365.433 3.665 0 40 FHAB COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccccc2OC)ccc1Cl 8041092 HMZABLOCMMQKPI-LLVKDONJSA-N 363.797 3.541 0 40 FHAB COc1ccccc1CNC(=O)CCc1c(C)nn(-c2ccccc2)c1C 8271044 GKEVNIYUTFBFAZ-UHFFFAOYSA-N 363.461 3.747 0 40 FHAB Cc1cccc(C)c1OCCNC(=O)C(=O)Nc1ccc(C(C)C)cc1 59417396 PBNWHCXILSFYCN-UHFFFAOYSA-N 354.450 3.561 0 40 FHAB O=C(CSCc1ccccc1)NCc1ccccc1CN1CCCC1 52399674 HJBVQVXTGBUDBC-UHFFFAOYSA-N 354.519 3.832 0 40 FHAB COc1ccc2c(ccn2CC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1 47073676 GUIARUKUFVEWMK-FQEVSTJZSA-N 374.444 3.890 0 40 FHAB O=C1c2cccc3cccc(c23)N1CN1CCN(CCc2ccccc2)CC1 23249077 VIOOORJHMKOQEM-UHFFFAOYSA-N 371.484 3.618 0 40 FHAB COc1ccccc1N1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1 57439137 CFNQTOBYENALKE-UHFFFAOYSA-N 374.868 3.537 0 40 FHAB Cc1ccc(CN(C)C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)o1 23496110 QQVKQLVQSLCPRI-INIZCTEOSA-N 374.868 3.752 0 40 FHAB O=C1CC2(CCCC2)C(=O)N1CN1CCC[C@@H]1c1nc2ccccc2s1 23763456 JZLAEILDSNUEGC-OAHLLOKOSA-N 369.490 3.710 0 40 FHAB O=C(NC1C[C@H]2CCC[C@H](C1)N2C(=O)Nc1ccccc1Cl)C1CC1 100426605 MOYZLDASJCJQKP-HUUCEWRRSA-N 361.873 3.784 0 40 FHAB NC(=O)c1ccc(CNC(=O)C2(c3cccc(Cl)c3)CCCCC2)cc1 43111236 ZSZVWMGJQRAFJK-UHFFFAOYSA-N 370.880 3.957 0 40 FHAB C[C@H]1CN(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@@H](C)O1 12418006 BHNRENOVHLLCMZ-PHIMTYICSA-N 364.795 3.797 0 40 FHAB CC1(C)[C@@H]2CC[C@]1(C)c1nc(SCC(=O)Nc3ccccc3)nnc12 100587123 WHBURJYQETVHBE-BFUOFWGJSA-N 354.479 3.777 0 40 FHAB COc1cccc(NC(=O)c2cnn(-c3cccc(Br)c3)c2)c1 106590205 SFWCVTOLRWGPRU-UHFFFAOYSA-N 372.222 3.896 0 40 FHAB Cc1ccccc1NC(=O)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 55494343 GIMWCZOUWZVFIB-NSHDSACASA-N 367.474 3.599 0 40 FHAB Cc1nccc(-c2cccc(NC(=O)CCc3nc(C(C)(C)C)no3)c2)n1 25168686 GNVJRGVUTWSXDF-UHFFFAOYSA-N 365.437 3.704 0 40 FHAB CCOc1cc(C(=O)OCc2cc(=O)oc3cc(C)ccc23)ccc1OC 12567308 ABOYOFCYLVZFHA-UHFFFAOYSA-N 368.385 3.866 0 40 FHAB CCN(CC)c1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 12596758 ZWAUWPUABJIDHH-UHFFFAOYSA-N 351.450 3.677 0 40 FHAB CC[C@@H](C)NC(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1 57487299 IGPAFRFGMVPNRV-GFCCVEGCSA-N 358.829 3.773 0 40 FHAB CCCn1c(SCC(=O)N(C)C2CCCCC2)nc2ccccc2c1=O 57472413 AIOYPPWYAQHYFS-UHFFFAOYSA-N 373.522 3.690 0 40 FHAB CC1(C)[C@]2(C)CC[C@]1(C(=O)NCc1ccco1)c1nc3ccccc3nc12 100940049 JNUSQEQONVHUBX-FGZHOGPDSA-N 361.445 3.868 0 40 FHAB O=C(Cc1c(Cl)cccc1Cl)OCC(=O)N1CCc2ccccc21 3216320 RHBYYFHPBGJBKZ-UHFFFAOYSA-N 364.228 3.668 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)N(Cc1ccccc1)C1CC1 58114523 KJUNULZDVVKSFS-UHFFFAOYSA-N 353.422 3.850 0 40 FHAB COc1ccccc1CC(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 44891484 XKBKYBIMWWSLAD-GOSISDBHSA-N 351.406 3.604 0 40 FHAB CCOC(=O)c1sc(NC(=O)[C@H](c2ccccc2)n2cccn2)cc1C 58357629 VNUPPIYUXQGKKJ-INIZCTEOSA-N 369.446 3.658 0 40 FHAB CN(Cc1ccccc1)C(=O)CCCCCN1C(=O)c2ccccc2C1=O 2293125 KWKDOUQOAQDJAS-UHFFFAOYSA-N 364.445 3.502 0 40 FHAB Cn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1ccccc1 3310887 VTUVVLBABQIFEU-UHFFFAOYSA-N 364.474 3.702 0 40 FHAB CC(C)OCCCNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 10891010 NHFNPPZOXLSWCX-UHFFFAOYSA-N 365.433 3.949 0 40 FHAB Cc1ccc(C(=O)C[C@]2(O)C(=O)Nc3cc(Cl)cc(Cl)c32)s1 2426250 IEFUEWUCVDNENW-OAHLLOKOSA-N 356.230 3.776 0 40 FHAB CC(=O)Nc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)C2CCCCC2)cc1 2497028 OYXOIUJQGWQACG-LJQANCHMSA-N 373.497 3.695 0 40 FHAB CCn1ncc2c(C(=O)NCCCOC(C)C)cc(-c3cccs3)nc21 12782462 ICXKXAYGGIPLBU-UHFFFAOYSA-N 372.494 3.725 0 40 FHAB CCOc1ccccc1OCCCC(=O)Nc1cnc(C(C)(C)C)nc1 48331838 CGGADKVJFMCACE-UHFFFAOYSA-N 357.454 3.971 0 40 FHAB COc1ccc(CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c(OC)c1 8429541 DQLRRMPEYLIJGZ-UHFFFAOYSA-N 369.417 3.927 0 40 FHAB CC(C)C[C@@H](NC(=O)CN1CCCCCCC1=O)c1nc2ccccc2[nH]1 49612781 YTTQMSHTSBLJTA-GOSISDBHSA-N 370.497 3.559 0 40 FHAB C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)n1cc(Br)cn1 28304414 LACOGFOLOJUYEC-MRVPVSSYSA-N 362.149 3.864 0 40 FHAB CC(C)(C)OC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 6087584 GUVYLYDIFFCTQC-UHFFFAOYSA-N 360.410 3.606 0 40 FHAB COc1cccc(NC(=O)CN2CCC(c3c[nH]c4ccccc34)CC2)c1 14083236 IWAJUINAUHRYKM-UHFFFAOYSA-N 363.461 3.995 0 40 FHAB Cc1ccc(CNC(=O)c2ccccc2I)cc1F 14248253 QDJDYGLSFGLTSV-UHFFFAOYSA-N 369.177 3.669 0 40 FHAB CC(=O)c1ccc(OC(=O)COc2ccc(Br)c(C)c2)cc1 4698883 DQRUFOGYCNOZIY-UHFFFAOYSA-N 363.207 3.945 0 40 FHAB CC(C)(C)c1ccc(OCCNS(=O)(=O)Cc2ccc(F)cc2)cc1 25369131 NWKDODCBFOXABJ-UHFFFAOYSA-N 365.470 3.622 0 40 FHAB O=C(N/C(=C/c1ccco1)C(=O)N1CCc2ccccc21)c1cccs1 4740013 CPWSYMBMPUCOEK-DTQAZKPQSA-N 364.426 3.701 0 40 FHAB O=C(COC(=O)COc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1 5655802 BBCLCAPTDGZCPN-UHFFFAOYSA-N 372.179 3.693 0 40 FHAB Cc1ccc(C2=NO[C@@](CC(=O)O)(C(=O)Nc3c(C)cccc3C)C2)cc1 6756634 HJZSELUCFYHAGH-NRFANRHFSA-N 366.417 3.588 0 40 FHAB CCOC(=O)c1[nH]c(C)c(C(=O)NCCSc2ccc(C)cc2)c1C 14803515 BMISLMJEVCXLAR-UHFFFAOYSA-N 360.479 3.639 0 40 FHAB CN(C)CCCNC(=S)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 6865409 DAUUGQCAWCGXJR-HXUWFJFHSA-N 366.534 3.664 0 40 FHAB Cc1nc2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3F)cc2nc1C 6848246 MOVCUPATNODORS-ZDUSSCGKSA-N 367.380 3.570 0 40 FHAB O=C(Nc1ccc(F)c(F)c1F)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 15002586 GSRJVBOKWJQMQX-SECBINFHSA-N 368.742 3.749 0 40 FHAB CC(=O)C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21 4987788 KFTUVCSTVAVNCD-SFHVURJKSA-N 364.228 3.707 0 40 FHAB COC(=O)[C@@H](C)Sc1nnc(Cc2cccs2)n1-c1ccccc1 6993073 KEQSAWVFNYMEHL-GFCCVEGCSA-N 359.476 3.573 0 40 FHAB CN(CC(=O)Nc1cccc2nsnc12)[C@@H]1CCCc2ccccc21 19079994 RHTSOBNHAZSGPN-QGZVFWFLSA-N 352.463 3.639 0 40 FHAB C[C@H](NC(=O)CCNC(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2 19164449 VNVXGJQSLYEIIC-IVKJLDKCSA-N 360.523 3.589 0 40 FHAB C[C@H](O)c1ccc(-c2ccc(CNCc3ccc(C(=O)O)cc3)o2)cc1 7541094 BVGODZPGAUUBCA-AWEZNQCLSA-N 351.402 3.988 0 40 FHAB O=S(=O)(Nc1ccc(F)cc1)c1c(F)cc(F)cc1Br 16101083 ZCXQMZGVLKVDOW-UHFFFAOYSA-N 366.158 3.667 0 40 FHAB CC[C@H](Sc1nnc(C)n1-c1ccccc1)C(=O)Nc1nccs1 9095982 OFCPFGMNRLFKEP-ZDUSSCGKSA-N 359.480 3.542 0 40 FHAB CC[C@H](CNC(=O)CCN1C(=O)[C@H](C)Oc2ccccc21)c1ccccc1 16261508 HPURFZJPPVDZPZ-DLBZAZTESA-N 366.461 3.501 0 40 FHAB Cc1c(Cl)c(CN2CCCN(CC(F)F)CC2)nc2ccccc12 91083638 DJXVVYAJCMXQIZ-UHFFFAOYSA-N 353.844 3.969 0 40 FHAB C[C@@H]1CCc2c(sc(NC(=O)c3ccc4ccccc4n3)c2C(N)=O)C1 8039384 KVBDIQIQJWWAAG-LLVKDONJSA-N 365.458 3.772 0 40 FHAB CN(CC(=O)NCCc1c[nH]c2ccccc12)[C@H]1CCCc2ccccc21 16695830 FBAAQKPFDHBSSS-QFIPXVFZSA-N 361.489 3.836 0 40 FHAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)CC)cc1)c1ccc(C)cc1 113943546 RROHMRJOZHNVHG-SFHVURJKSA-N 360.479 3.638 0 40 FHAB COc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 8277165 ZYVKSSMCRGDAEO-SFHVURJKSA-N 374.440 3.518 0 40 FHAB COc1ccc([C@@H](C)NC(=O)c2ccc(-n3cccn3)c(F)c2)c(OC)c1 71803741 QTXXAFCJCRQXMN-CYBMUJFWSA-N 369.396 3.520 0 40 FHAB Cc1cccn2c(CN[C@@H](C(=O)OC(C)(C)C)c3ccccc3)cnc12 97140137 RMJTXRYIPWXOJD-GOSISDBHSA-N 351.450 3.815 0 40 FHAB O=C(Nc1c[nH]nc1[C@H]1CCCN(C(=O)CC2CCCC2)C1)C1CCCC1 95998716 NVVACHFVQOTUMY-KRWDZBQOSA-N 372.513 3.825 0 40 FHAB CCn1c(C)cc(C(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)c1C 9985498 VTJWEVYDCMVEHW-UHFFFAOYSA-N 368.477 3.869 0 40 FHAB CC(C)(COC(=O)CCCOc1ccccc1)NC(=O)OC(C)(C)C 89662398 AHJBVQAHLZRWFT-UHFFFAOYSA-N 351.443 3.692 0 40 FHAB COc1ccc([C@H](O)[C@H](C)NC(=O)c2cc(C)nc3ccc(C)cc23)cc1 89657503 WSQFQFYSZAEWCE-YCRPNKLZSA-N 364.445 3.712 0 40 FHAB CC(=O)Cc1nsc(NC(=O)/C=C/c2cc3cc(Cl)ccc3o2)n1 67339171 OWAYDDNKTWCSME-HWKANZROSA-N 361.810 3.721 0 40 FHAB CCOC(=O)C1CCN(C(=O)[C@H](CC)Oc2ccc3ccccc3c2)CC1 22525183 BMLABELLLLOCQB-FQEVSTJZSA-N 369.461 3.799 0 40 FHAB COc1ccccc1NC(=O)Cn1nc(-c2ccc(C)cc2)oc1=S 409165037 RJVGPPYTHWTCRZ-UHFFFAOYSA-N 355.419 3.828 0 40 FHAB Cc1cccc(CN2CC[C@@]3(C2)CN(Cc2ccccn2)c2cccnc23)c1 306130583 JKEKAIABMRVISL-XMMPIXPASA-N 370.500 3.949 0 40 FHAB CCN(CC)C(=O)CCCNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 32931065 JHQOZMOIVHSOIV-MRXNPFEDSA-N 362.514 3.516 0 40 FHAB O=C(NC[C@H]1CCCC1(F)F)c1cncc(-c2ccc3c(c2)CCO3)c1 514994504 UYYGSDHOYYIZQO-QGZVFWFLSA-N 358.388 3.849 0 40 FHAB O=C(O)c1csc(CN2CCC(c3nc4c(s3)CCCC4)CC2)n1 515306164 XCWRXKNSSUQZRV-UHFFFAOYSA-N 363.508 3.556 0 40 FHAB CC(C)(C)[C@H]1CCc2onc(C(=O)NCC(C)(C)N3CCCCC3)c2C1 35316577 IDUYJZPVNQTSQJ-HNNXBMFYSA-N 361.530 3.820 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN=Cc2cc(N)ccc21 73642466 JMQNOKOPAJOOST-UHFFFAOYSA-N 357.841 3.545 0 40 FHAB O=C(NCc1ccnc(N2CCCCC2)n1)Nc1ccc2ccccc2c1 224210154 CMHGFAUNLXWCMS-UHFFFAOYSA-N 361.449 3.942 0 40 FHAB COc1ccccc1CCNC(=O)CCc1ccccc1Br 48163809 VVSAYJSNCLULBV-UHFFFAOYSA-N 362.267 3.749 0 40 FHAB O=C(CSCc1ccccc1)NCc1cccc(CN2CCCC2)c1 46374656 UHTUXYZUZYAHCD-UHFFFAOYSA-N 354.519 3.832 0 40 FHAB COc1ccc(CNC(=S)Nc2cc(C)cc(C)c2)c(OC)c1OC 44252150 YYUNQBXJPMRNRM-UHFFFAOYSA-N 360.479 3.816 0 40 FHAB COC(=O)c1cc(NC(=S)NCc2ccc(F)cc2)ccc1Cl 44385596 NDXAKEWXBOGCCL-UHFFFAOYSA-N 352.818 3.752 0 40 FHAB Cc1ccc(CNC(=O)/C(=C/c2ccco2)NC(=O)c2cccc(C)c2)cc1 224096747 QTPKKCIYEUPCSG-STZFKDTASA-N 374.440 3.984 0 40 FHAB O=C(N1CC[C@@H](N2CCc3ccccc3C2)C1)C12CC3CC(CC(C3)C1)C2 238943733 WFTRZNFLHXJZFU-SOSWSAFESA-N 364.533 3.862 0 40 FHAB Fc1cccc(-c2nnc3sc(Cn4cnc(Cl)c4Cl)nn23)c1 96232740 OTIDUTXSIZBUDO-UHFFFAOYSA-N 369.212 3.544 0 40 FHAB COc1ccc(N[C@@H]2CO[C@@]3(CCN(Cc4ccc(F)cc4)C3)C2)cc1 96047627 VODNQTIRZLLDHJ-FPOVZHCZSA-N 356.441 3.680 0 40 FHAB COc1cc(-c2nc3ccccc3[nH]2)cc(I)c1O 256047394 MIHBHAADQZLFNW-UHFFFAOYSA-N 366.158 3.549 0 40 FHAB CCCc1cc(C(=O)N2CCC(C)(c3ncc(Cl)s3)CC2)no1 257281723 OQRCXORUBNDPSF-UHFFFAOYSA-N 353.875 3.931 0 40 FHAB Cc1cccnc1Nc1nccnc1[C@@H]1CCCN(CC2CCOCC2)C1 257248503 JDXPTWSQPDZQEP-GOSISDBHSA-N 367.497 3.530 0 40 FHAB COCC(=O)N1CCC[C@H](c2cc(Nc3ccc(F)cc3)cc(C)n2)C1 257250300 JLYYWZSKLZDBKK-HNNXBMFYSA-N 357.429 3.625 0 40 FHAB CC1(C)CO[C@@H](c2cccc(F)c2)CN1CCOc1ccccc1C(=O)O 656764501 BRAZRPHINVNTGK-LJQANCHMSA-N 373.424 3.755 0 40 FHAB CC1=CC(C)(C)N2C(=O)[C@](O)([C@H]3CC[C@@H](C)CC3=O)c3cc(F)cc1c32 1740816798 VTUGJZCQRMESKN-JSKPFOEOSA-N 357.425 3.561 0 40 FHAB Cc1ccc2[nH]c(C(=O)N3CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C3)cc2c1 1643583974 WODSYUIVVYCMJW-ZBFHGGJFSA-N 356.466 3.916 0 40 FHAB O=C(CSCc1ccccc1)NCCn1ccc(-c2cccs2)n1 96103835 OIKYIKPRGRCPEM-UHFFFAOYSA-N 357.504 3.661 0 40 FHAB O[C@@H]1[C@@H](NCCc2ccc(Cl)cc2)CCC[C@H]1Oc1ccc(F)cc1 585286532 ZJMDTLCKSGOSQC-XUVXKRRUSA-N 363.860 3.972 0 40 FHAB CC[C@H](C)n1c(SCC(=O)NCC(F)(F)F)nnc1-c1ccccc1 58197244 BXJDJMYVFGGBBE-NSHDSACASA-N 372.416 3.687 0 40 FHAB CC(C)(C)n1/c(=N/C(=O)[C@@H]2CSc3ccccc3O2)[nH]c2ccccc21 84325718 OLKPRIHHZBGKSP-INIZCTEOSA-N 367.474 3.705 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)c2cnc3ccccc3n2)c(OC)c1 39983258 GGHSRILLDYINOU-LJQANCHMSA-N 363.417 3.624 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3O)n[nH]2)cc1C 5518402 SWIJQDKPGHQSEA-CYBMUJFWSA-N 368.462 3.913 0 40 FHAB O[C@@H](COCCOCCSc1ccccc1)CSc1ccccc1 5604177 FYTSIXMZIMKXCT-KRWDZBQOSA-N 364.532 3.965 0 40 FHAB CCn1c(CN2CCC[C@](O)(c3ccc(F)cc3)CC2)cnc1SC 12143575 KPIRZMSFROSHOF-LJQANCHMSA-N 363.502 3.638 0 40 FHAB O=C(c1ncoc1-c1ccccc1F)N1CCN(C2CCCCC2)CC1 12338298 YPMXFBNERHDVGN-UHFFFAOYSA-N 357.429 3.571 0 40 FHAB COc1cccc(C(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 13495058 PLVBRJJSMGCCHP-UHFFFAOYSA-N 365.433 3.973 0 40 FHAB COc1ccccc1-c1noc([C@H](C)NC(=O)c2ccccc2Cl)n1 13495156 JXAPZUAJYWMRTR-NSHDSACASA-N 357.797 3.890 0 40 FHAB CC[C@H](C(=O)Nc1cccc(C)c1C)N(c1ccc(C)cc1)S(C)(=O)=O 13713176 ODUUWDLIAZEYDV-LJQANCHMSA-N 374.506 3.795 0 40 FHAB CCCn1c(=O)n(CCC(=O)Nc2ccc(C)c(C)c2)c2ccccc21 16200865 AOBWPFYQBVTFDP-UHFFFAOYSA-N 351.450 3.859 0 40 FHAB Cc1nc(O)c2c(n1)CN(Cc1ccc3c4ccccc4n(C)c3c1)CC2 19576617 SPSFKRJLLIPKAZ-UHFFFAOYSA-N 358.445 3.694 0 40 FHAB Cc1cc(C(=O)N(Cc2ccccn2)C[C@H]2CCCO2)nc2ccccc12 19660814 VJYXYLVTEGBLIR-GOSISDBHSA-N 361.445 3.760 0 40 FHAB C[C@@]12CCN(CC3=CCCOC3)[C@@H]1CCCCC(=O)N2Cc1ccccc1 19713386 UDZPYLOAAANBOC-FYYLOGMGSA-N 368.521 3.769 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)Nc3nc(C(C)C)cs3)CC2=O)c(C)c1 19714997 ZRCKDZWSOVGZLR-CQSZACIVSA-N 357.479 3.875 0 40 FHAB Cc1cc(C(=O)N2CCSc3ncccc32)nn1-c1ccc(F)cc1F 156611032 XQXZOWXDXKKPHQ-UHFFFAOYSA-N 372.400 3.606 0 40 FHAB CCCc1ccccc1NCC(=O)Nc1ccc(N2CCOCC2)cc1 25904492 JMUADZIOLCLUPO-UHFFFAOYSA-N 353.466 3.526 0 40 FHAB NC(=O)CSc1ccccc1C(=O)Nc1ccc2oc(C3CC3)nc2c1 33214663 AJJUELPREXGWCB-UHFFFAOYSA-N 367.430 3.535 0 40 FHAB COc1ccc(CCNC(=O)N[C@H](C)Cc2cc3ccccc3o2)cc1 245026627 NDTCGXCDMJLYLC-OAHLLOKOSA-N 352.434 3.914 0 40 FHAB COc1ccc(C)cc1NC(=O)c1ccc(=O)n(Cc2cccc(C)c2)c1 7574125 HSVVRCVEUCIVGW-UHFFFAOYSA-N 362.429 3.774 0 40 FHAB CC(C)CNC(=O)N1CCC[C@H](COc2ncccc2C(F)(F)F)C1 1775972711 RVGGIDUPLHDIIY-ZDUSSCGKSA-N 359.392 3.557 0 40 FHAB Cc1ccc(C(=O)N[C@H](C)[C@H](c2cccs2)N2CCOCC2)cc1C 23180942 UASPYWVWLKQUQL-VQIMIIECSA-N 358.507 3.557 0 40 FHAB O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)[C@@H]1CCOC1 206892071 DBQQCKPXBCEALQ-CQSZACIVSA-N 366.446 3.924 0 40 FHAB O=C(Cc1c(F)cccc1Cl)N1CC(c2nc(-c3ccccc3)no2)C1 49031925 PUBAPLHFKGPKGV-UHFFFAOYSA-N 371.799 3.698 0 40 FHAB C[C@H](Cc1csc2ccccc12)NC(=O)[C@@H]1COc2ccccc2O1 585150710 BCLJESLESCIKEG-ACJLOTCBSA-N 353.443 3.789 0 40 FHAB C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1C[C@@H](C)O[C@H](C)C1 22018142 WNDMBVYJDCWGJH-KURKYZTESA-N 368.477 3.702 0 40 FHAB Cc1oc(-c2cccs2)nc1CC(=O)N(C)CCOc1ccccc1 24359444 CFBKZYNEHPBWBB-UHFFFAOYSA-N 356.447 3.791 0 40 FHAB C[C@@H](NC(=O)N1CCc2sccc2C1)c1ccc(-n2ccnc2)cc1 40038944 FYJHGWFOMRCITA-CQSZACIVSA-N 352.463 3.763 0 40 FHAB Cc1n[nH]c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C1=C(COC1=O)N2 20086390 JSHLRVYEQQXUMN-IBGZPJMESA-N 373.412 3.665 0 40 FHAB Cc1nn(-c2ccccc2F)c(C)c1CC(=O)Nc1nnc(C2CC2)s1 40128863 SCQHRNZUADLFTN-UHFFFAOYSA-N 371.441 3.538 0 40 FHAB CCn1c(SCCC(=O)Nc2ccccc2Cl)nnc1C1CC1 31756220 UYNZIFWKOZAVRE-UHFFFAOYSA-N 350.875 3.950 0 40 FHAB O=C(NCCc1ccccn1)c1cc(-c2ccncc2)nc2ccccc12 29571597 KJKKCKWBDVQHJY-UHFFFAOYSA-N 354.413 3.664 0 40 FHAB COc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)N=C3NN=NN32)cc1OC 2612849 BODXFWWQPSFLAH-HNNXBMFYSA-N 369.812 3.996 0 40 FHAB COc1ccc(C(=O)Nc2ccc(NC(=O)C3CCCCC3)cn2)cc1 1358499 JEJQWDNDPUHODF-UHFFFAOYSA-N 353.422 3.861 0 40 FHAB O=C(CN1CCSc2ccccc21)Nc1ccccc1OC(F)F 32510713 NULBLLCSFWKUCM-UHFFFAOYSA-N 350.390 3.839 0 40 FHAB O=C(COc1ccc(F)cc1)N1CCC(c2nc3ccccc3o2)CC1 11913965 CKUXXWYTRNMMGB-UHFFFAOYSA-N 354.381 3.752 0 40 FHAB O=C(NOCc1ccccc1)c1cc(Br)ccc1OC(F)F 2789954 QKMNSHYPQGJZPN-UHFFFAOYSA-N 372.165 3.912 0 40 FHAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc(Cl)c(N)c1 3451418 SKPUCUUTYXWPPC-UHFFFAOYSA-N 353.205 3.680 0 40 FHAB CNC(=O)c1cccc(NC(=O)c2sc(-c3ccsc3)nc2C)c1 21630628 KNTYOPFEAQCXNK-UHFFFAOYSA-N 357.460 3.792 0 40 FHAB COc1cccc(NC(=O)[C@@H](Sc2nccn2C)c2ccccc2)c1 6369212 QGTFMDYEEWNNQY-KRWDZBQOSA-N 353.447 3.901 0 40 FHAB O=c1cc(CN2CCC[C@@H]2c2nc3ccccc3s2)nc2sccn12 6610987 VNRPTACTZDKOSG-CQSZACIVSA-N 368.487 3.703 0 40 FHAB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 6650320 DAOBIWNIOQVTOL-UKTHLTGXSA-N 353.827 3.720 0 40 FHAB CC(C)(C)NC(=O)CNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 7449368 KCICRYSTILCWNU-UHFFFAOYSA-N 369.248 3.898 0 40 FHAB CCCc1n[nH]c(=S)n1NCc1ccc(-c2ccc(C(=O)OC)cc2)o1 7602258 SYTZRKJUFYCULW-UHFFFAOYSA-N 372.450 3.683 0 40 FHAB CC(C)(C)C(=O)Nc1cccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)c1 32906481 QUVWVYXMBCMLTD-UHFFFAOYSA-N 365.433 3.808 0 40 FHAB CCCn1c([C@H](C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 2721302 UQRXNYFDCFMVNO-AWEZNQCLSA-N 367.449 3.955 0 40 FHAB Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)NC1C2CC3CC(C2)CC1C3 2781636 GPGPPKSXRLXGIG-BSTQEOMGSA-N 355.404 3.712 0 40 FHAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1cc(-c2ccccc2)on1 8265142 CFIWJSMHIQMJDU-JOCHJYFZSA-N 373.412 3.625 0 40 FHAB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2)c(C)c1 8412771 KVXQWEJEJLXLGD-UHFFFAOYSA-N 368.433 3.594 0 40 FHAB O=C(Nc1ccccc1C(=O)NCCc1c[nH]c2ccccc12)c1ccco1 8393739 YSVDMRXZUNBLFW-UHFFFAOYSA-N 373.412 3.986 0 40 FHAB COc1ccc(C(=O)NCCCc2ccc(OC(C)C)cc2)cc1OC 10542349 NGHPXGZSCCZLFB-UHFFFAOYSA-N 357.450 3.854 0 40 FHAB Cc1ccc2[nH]c(C)c(CC(=O)Nc3ncn(Cc4ccccc4)n3)c2c1 54113856 RLQRUWXANRWICE-UHFFFAOYSA-N 359.433 3.606 0 40 FHAB CN(Cc1cccs1)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 22989875 XIQXJBQPIDVUNL-UHFFFAOYSA-N 353.369 3.775 0 40 FHAB Clc1ccccc1Cc1nnc2sc(/C=C/c3cccnc3)nn12 71285046 XGBHTEZPYXHYBS-BQYQJAHWSA-N 353.838 3.995 0 40 FHAB O=C(Cc1coc(-c2ccccc2)n1)Nc1ccc2c(c1)OCCCO2 25029861 YFVOQLYNUAJJIZ-UHFFFAOYSA-N 350.374 3.684 0 40 FHAB Cn1ccnc1[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 22197026 DPWBKXUOTPSOHD-GUDVDZBRSA-N 367.399 3.708 0 40 FHAB CCOc1ccc(CCC(=O)NCCOc2ccc(C)cc2)cc1OCC 22526048 QOUHZGAJBISZKE-UHFFFAOYSA-N 371.477 3.920 0 40 FHAB CCc1ccc([C@@H](N[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)C(C)C)cc1 57838675 RSKSEBOYFLXSNO-KXBFYZLASA-N 356.514 3.913 0 40 FHAB O=C(COC(=O)c1ccc(F)cc1)NC(c1ccccc1)c1ccccc1 3234203 XEZFMZYCVHTKDT-UHFFFAOYSA-N 363.388 3.888 0 40 FHAB CS(=O)(=O)Nc1cccc(C(=O)OCc2ccc(Cl)cc2Cl)c1 21095181 LURHPHVOULFWCD-UHFFFAOYSA-N 374.245 3.722 0 40 FHAB COc1ccc(OCC(=O)O[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1 10356954 QBPOSYCLHUEFJM-HIGJEIRPSA-N 372.461 3.791 0 40 FHAB CCCCN(CC)c1ccc(C(=O)N[C@@H]2CCCc3c2cnn3C)cc1 58434532 YSJYOZYQARPZIN-LJQANCHMSA-N 354.498 3.854 0 40 FHAB CC(C)Cc1nc2sc3c(NN)ncnc3c2c2c1COC(C)(C)C2 2297921 YOBJQKHUXYIRFN-UHFFFAOYSA-N 357.483 3.575 0 40 FHAB COc1ccccc1[C@H]1CC(=O)c2cn3nc(-c4ccccc4)nc3nc2C1 20796508 OWKQGHKRCGZDLK-OAHLLOKOSA-N 370.412 3.713 0 40 FHAB Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@@H](c1ccc(Br)cc1)N2 2472039 JXALDTRWDJNKEN-LSDHHAIUSA-N 370.254 3.769 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN1C(=O)Oc1ccccc1 409002883 QBVROSDBHFLAGF-INIZCTEOSA-N 374.824 3.951 0 40 FHAB CCOc1ccccc1-c1nc(CC(=O)Nc2nnc(CC)s2)cs1 11474670 ZULGMVORJYOVGW-UHFFFAOYSA-N 374.491 3.804 0 40 FHAB O=C(NCCOc1ccc(Cl)cc1)NCc1ccc(OC(F)F)cc1 12751633 SMXKHMIADCRMKV-UHFFFAOYSA-N 370.783 3.820 0 40 FHAB Cc1ccc(Cn2nc(C)c(CNC[C@@H](c3ccco3)N(C)C)c2C)cc1 22926663 NJAKSLNSFHBICU-NRFANRHFSA-N 366.509 3.842 0 40 FHAB O=C(CCNC(=O)c1ccccc1)OCc1ccccc1C(F)(F)F 12951025 XMBNLXGPUOOOOU-UHFFFAOYSA-N 351.324 3.569 0 40 FHAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N(CC)c1ccccc1 5030475 MPMJRKNNISONFD-UHFFFAOYSA-N 365.437 3.614 0 40 FHAB O=C(NCCc1ccccc1)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 408718480 QNSGQHVAQZJPJA-UHFFFAOYSA-N 371.651 3.944 0 40 FHAB COC(=O)c1ccc(/C=C2\C(=O)Nc3ccc(Br)cc32)cc1 4303196 IHFNWFGILYKHGO-ZSOIEALJSA-N 358.191 3.728 0 40 FHAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(OC(F)(F)F)cc1 6322228 RMZDTGGUPXMQCD-UHFFFAOYSA-N 353.296 3.538 0 40 FHAB CCCN1C(=O)[C@](O)(CC(=O)c2c(C)cc(C)cc2C)c2ccccc21 4554674 GZAZKAVWQOZIAU-QFIPXVFZSA-N 351.446 3.829 0 40 FHAB CC[C@@H](C)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccc(Cl)cc1 5431116 AFASFBTYVYASHR-OTYXRUKQSA-N 351.859 3.988 0 40 FHAB Cc1c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)oc2ccc(F)cc12 9117682 DASVNVAJRQTTDP-UHFFFAOYSA-N 367.424 3.884 0 40 FHAB CCCSc1nc(NCCCO)c2sc3c(c2n1)COC(C)(C)C3 6759644 QRDBINAGDZBKCO-UHFFFAOYSA-N 367.540 3.839 0 40 FHAB Cc1cc(C)c2c(n1)oc1c(SCC(=O)Nc3nccs3)ncnc12 6764200 MTUJGQJFSJZXOP-UHFFFAOYSA-N 371.447 3.575 0 40 FHAB O=C(Nc1cccc(F)c1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 6948689 ONAMGBXJUPTOMF-AWEZNQCLSA-N 360.816 3.970 0 40 FHAB O=S(=O)(Nc1cccc2cccnc12)c1cccc(Br)c1 18996228 ITQSWHQIUBCPHT-UHFFFAOYSA-N 363.236 3.798 0 40 FHAB Cc1cc(C(=O)CSc2nnc(NCc3ccco3)s2)c(C)n1C 7161796 JOWZWQUYQGPWKH-UHFFFAOYSA-N 362.480 3.674 0 40 FHAB COc1ccc(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)cc1F 7107493 BFJLDRNWLLJBPW-UHFFFAOYSA-N 362.744 3.895 0 40 FHAB CCOC(=O)NCCC(=O)Nc1ccc(N2CCCCCCC2)c(F)c1 96008203 OSPICMYRQCANLP-UHFFFAOYSA-N 365.449 3.671 0 40 FHAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2cccc3cccnc23)C1=O 9498267 RAKHFYJBMPKSRK-OAQYLSRUSA-N 363.392 3.731 0 40 FHAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccc(C(C)(C)C)cc1)C2=O 9532888 XSCAVGNRMBDZPC-SPLOXXLWSA-N 356.466 3.668 0 40 FHAB Cc1n[nH]c(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)s2)c1C 9686677 MDQSYTUGZZHBDK-UHFFFAOYSA-N 351.428 3.695 0 40 FHAB C[C@H]1CN(c2ccccc2NC(=O)NOCc2ccccc2)C[C@@H](C)O1 89936875 BYRCQLDPQDUQKZ-IYBDPMFKSA-N 355.438 3.554 0 40 FHAB CCCn1nc(C)c(C(=O)NC2CCN(Cc3ccccc3C)CC2)c1C 84759124 NQDACRPOXQTPRW-UHFFFAOYSA-N 368.525 3.613 0 40 FHAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1cccc2c1OCCO2 88363954 CUSPGEVXBCUQTN-INIZCTEOSA-N 367.449 3.720 0 40 FHAB CC(=O)[C@@H]1C[C@H](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1(C)C 95939768 CAFWSKKAEVXHAA-SQNIBIBYSA-N 371.477 3.763 0 40 FHAB O=C(C1CC1)N1CCC[C@H](c2nc3ccc(-c4cccc(F)c4)cn3n2)C1 306124862 CBADHOMECMTYQG-KRWDZBQOSA-N 364.424 3.651 0 40 FHAB CCn1cc(C(=O)Nc2ccc(OC)c(Cl)c2)c(=O)c2ccccc21 408712947 CUZALLYMKAYROG-UHFFFAOYSA-N 356.809 3.936 0 40 FHAB CCC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 408549366 YIBIQAZRVAKROJ-OAHLLOKOSA-N 360.479 3.714 0 40 FHAB Cc1nc(COc2cccc(C(=O)Oc3ccc4c(c3)OCO4)c2)cs1 21743385 UJKAMGLGIDPSPP-UHFFFAOYSA-N 369.398 3.978 0 40 FHAB COC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl 38600110 CYRWXOBAPNKPIF-UHFFFAOYSA-N 368.216 3.996 0 40 FHAB in-vitro CCCCC(=O)Nc1ccccc1OCc1cc(=O)n2ccc(C)cc2n1 33067971 YTUVHWQSTNGUCB-UHFFFAOYSA-N 365.433 3.711 0 40 FHAB Cc1c(C(=O)CN2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1C 35938033 AORNIHFJYAUWBG-UHFFFAOYSA-N 365.452 3.631 0 40 FHAB Cc1cc2c(c(=O)n1C)[C@H](c1ccc(-c3ccccc3F)o1)CC(=O)O2 524735353 WRVKPKVNSZQARX-ZDUSSCGKSA-N 353.349 3.534 0 40 FHAB O=C(Cn1ccc2c(Cl)cccc21)NCCCc1nc2ccccc2[nH]1 79494645 MZQAREABANFWJV-UHFFFAOYSA-N 366.852 3.920 0 40 FHAB Cc1ccc(-c2nc3ccc(N4C[C@@H](C(=O)O)CC4=O)cc3o2)cc1Cl 70461408 UVDRPPSGUGDZOO-LBPRGKRZSA-N 370.792 3.894 0 40 FHAB CN(C)C(=O)CN1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 72349532 PMOJHVBQRVNGJQ-QGZVFWFLSA-N 371.912 3.593 0 40 FHAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 30858275 VHVHXBHHQORLPY-LSDHHAIUSA-N 357.450 3.911 0 40 FHAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3)cc1Cl 78404010 QCNMJVJTDFBOQD-JTQLQIEISA-N 352.843 3.506 0 40 FHAB O=C(CCN1CCC(C(=O)c2ccc(Cl)cc2)CC1)NC1CCCC1 60481955 WMDLEVPBVFULDQ-UHFFFAOYSA-N 362.901 3.684 0 40 FHAB CCOC(=O)N1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(O)c(OCC)c1 229907494 IJCUOQSFSYMMDY-ZAAXVRCTSA-N 363.454 3.616 0 40 FHAB COc1ccccc1CC(=O)NCc1ccccc1CN1CCCC[C@@H]1C 40107142 OIQDRHMAHCTPNW-SFHVURJKSA-N 366.505 3.929 0 40 FHAB Cc1nc(CSc2ccccc2C(=O)NCCc2ccccc2F)no1 40051392 XMCDKWZDBMQBDK-UHFFFAOYSA-N 371.437 3.782 0 40 FHAB C[C@@H](NC(=O)c1cn2c3c(cccc3c1=O)C[C@H]2C)c1ccc(F)cc1 223098027 ICFFKGVBDPEMFZ-CHWSQXEVSA-N 350.393 3.749 0 40 FHAB COc1cccc2cc(C(=O)N3CC(c4nc5ccc(C)cc5[nH]4)C3)oc12 75156439 PDJLVRMNEGMIGE-UHFFFAOYSA-N 361.401 3.866 0 40 FHAB O=C1CCCN1c1cccc(CNC(=S)Nc2ccc(F)cc2F)c1 44077879 OCYLXNGTADBHPP-UHFFFAOYSA-N 361.417 3.578 0 40 FHAB COCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1Cl 225639129 WNSKZVNYQVWWOU-FZKQIMNGSA-N 355.862 3.899 0 40 FHAB O=S(=O)(Nc1ccc(Br)c(F)c1)c1ccc(F)c(F)c1 95067915 WXWHJUWRNDOFIB-UHFFFAOYSA-N 366.158 3.667 0 40 FHAB COc1ccc(N[C@@H]2CO[C@]3(CCN(Cc4ccc(F)cc4)C3)C2)cc1 96047625 VODNQTIRZLLDHJ-PZJWPPBQSA-N 356.441 3.680 0 40 FHAB Cc1cc(=O)oc2c3c(ccc12)OC(=O)C[C@H]3C1=Cc2ccccc2OC1 96222605 FOTADDWEKVOJDE-INIZCTEOSA-N 360.365 3.970 0 40 FHAB biogenic COc1ccc(CN2CCC3(CC2)CCN(Cc2ccccn2)CC3)cc1 96047202 SIOFYTRVAFRCNN-UHFFFAOYSA-N 365.521 3.968 0 40 FHAB Cc1ccc(CN2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)o1 248059831 CVVMBBBQWHFGPD-RTWAWAEBSA-N 356.466 3.571 0 40 FHAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CC(C)(C)C)OCC[C@@]31C2 257218715 DEFAIZIOERGYNC-YEXGDUPYSA-N 351.531 3.785 0 40 FHAB CNc1cc(C)nc([C@@H]2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)c1 257271613 MZBDGTAVWBFCMW-CYBMUJFWSA-N 352.413 3.682 0 40 FHAB CCN(C(=O)c1cnn2cccc(Cl)c12)[C@@H](COC)Cc1ccccc1 1137207654 SIIGFPPQIBUPAC-MRXNPFEDSA-N 371.868 3.708 0 40 FHAB Cc1sc2nc(-c3cccnc3)nc(N(C)Cc3ncccn3)c2c1C 1163926813 KLHHDZUABPOTQX-UHFFFAOYSA-N 362.462 3.797 0 40 FHAB CC(C)Oc1ccccc1C(=O)[C@H](Br)CBr 394686988 INLNLDJLASOERI-SNVBAGLBSA-N 350.050 3.815 0 40 FHAB COc1cccc(CN2CCC3(CC2)OCC[C@@H]3CCOCC2CC2)c1 585104427 IKXFCYPEFVZUKK-FQEVSTJZSA-N 359.510 3.883 0 40 FHAB Cc1cccc(CN2CC3(CCN(C(=O)c4ccsc4)CC3)CC2=O)c1 585099767 RMCWLOYRVYBSTM-UHFFFAOYSA-N 368.502 3.711 0 40 FHAB CNC(=O)COc1cccc(NC(=O)Nc2cc(Cl)ccc2Cl)c1 58180702 NBLSYQSSBNIXDG-UHFFFAOYSA-N 368.220 3.762 0 40 FHAB O=C(NCc1ncc(-c2ccccc2)o1)C1(c2ccccc2)CCOCC1 57136394 WINRAPPOUJYPJV-UHFFFAOYSA-N 362.429 3.706 0 40 FHAB CC(=O)Nc1ccc(C(=O)N2CCC(c3ccc4cccnc4n3)CC2)cc1 655265489 WXLQXLACULXGGF-UHFFFAOYSA-N 374.444 3.608 0 40 FHAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O 7077953 PLBUBCPOHFYALC-UXYFDLPDSA-N 358.419 3.546 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3O)n[nH]2)cc1 5504476 ZLGMWBDQLAXWDA-GFCCVEGCSA-N 354.435 3.605 0 40 FHAB O=S(=O)(Nc1nnc(-c2ccncc2)s1)c1ccc2ccccc2c1 5729578 ZIPPBTGQYBAWJY-UHFFFAOYSA-N 368.443 3.554 0 40 FHAB CC(C)CNC(=O)COC(=O)[C@H](Sc1ccccc1)c1ccccc1 5990175 SKWYUBCONZQXIS-LJQANCHMSA-N 357.475 3.835 0 40 FHAB Cc1nc2cc([C@@H]3CCN(C[C@@H](C)c4ccccc4)C3)nn2c(O)c1C 12255268 OYBQMBDOBDDHAM-RDTXWAMCSA-N 350.466 3.645 0 40 FHAB CCOC(=O)c1ccc(O)c(NC(=O)C2(Br)CCCCC2)c1 13998981 NJJPRXWYRNNBGG-UHFFFAOYSA-N 370.243 3.605 0 40 FHAB CCN(CC)C(=O)Cn1cc(C(=O)COc2ccccc2)c2ccccc21 14135949 CIJZALPSPLWUCK-UHFFFAOYSA-N 364.445 3.771 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1cc(C)cc(C)c1 14400556 NPUXSTQVPYLYAZ-INIZCTEOSA-N 354.450 3.849 0 40 FHAB Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)/C=C/c2cccs2)c1 14404573 FMPCHCRAQCECFN-CMDGGOBGSA-N 366.446 3.992 0 40 FHAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1CCc2ccccc21 15580169 KJDLFEJKAQWHAB-UHFFFAOYSA-N 353.809 3.912 0 40 FHAB Cc1ccc(CCNCc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)cc1 19210111 UKHRXEVFQCJSPO-UHFFFAOYSA-N 372.472 3.663 0 40 FHAB Cc1nccn1CCCC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 19288128 HDJCXKZTZJCXDW-UHFFFAOYSA-N 358.442 3.797 0 40 FHAB COc1ccccc1-c1csc(NC(=O)c2ccn(C(F)F)n2)n1 19571868 MUGSPSXVRZGGES-UHFFFAOYSA-N 350.350 3.663 0 40 FHAB Cc1noc(C)c1CCC(=O)N1CCC(c2cc3cnccc3[nH]2)CC1 19580616 UXJWDRMBYCJGLE-UHFFFAOYSA-N 352.438 3.507 0 40 FHAB C[C@]12CCN(Cc3cccc(Oc4ncccn4)c3)[C@H]1CCCCCN2 19713364 MDOMPGQUPWDHFK-FPOVZHCZSA-N 352.482 3.766 0 40 FHAB COc1ccc(-c2cc(CC(=O)N[C@H]3CCCC[C@@H]3C)no2)cc1OC 12867648 OZGGLQLZOPLNDY-BBRMVZONSA-N 358.438 3.596 0 40 FHAB COc1ccccc1C(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2 5136367 KVNZZSJDDPOUMB-UHFFFAOYSA-N 352.434 3.883 0 40 FHAB COc1ccc(OC)c(C(=O)Nc2nc3c(s2)COc2ccccc2-3)c1 13972483 ICYXYVITZMMDRG-UHFFFAOYSA-N 368.414 3.972 0 40 FHAB O=C(Cc1cccs1)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 207014646 PDADDRTWUSFRGO-ZDUSSCGKSA-N 373.503 3.883 0 40 FHAB COc1cc(OC)cc(-c2noc(-c3c[nH]c4ccc(C)cc4c3=O)n2)c1 35592666 WEQLAGXSUFQROC-UHFFFAOYSA-N 363.373 3.571 0 40 FHAB COc1cccc(NC(=O)c2c(O)n(CC(C)C)c3ccccc3c2=O)c1 5563325 UROBFLUXEOOWNX-UHFFFAOYSA-N 366.417 3.624 0 40 FHAB O=C(c1ccn(C2CCCC2)n1)N1CCO[C@H](c2ccccc2Cl)C1 152421363 IYIAMYVTNARYEN-SFHVURJKSA-N 359.857 3.865 0 40 FHAB O=C(CSCc1cccs1)Nc1cccc(C(=O)N2CCCC2)c1 30479736 OYGCEXLERRFSED-UHFFFAOYSA-N 360.504 3.856 0 40 FHAB Cc1ccc(CN(C)C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1 40104776 JQVWTYNSLSGQMI-LJQANCHMSA-N 367.449 3.776 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)Nc1ccc(N2CCN(C)CC2)cc1 40104080 GWPSBJHPAHWWNM-SFHVURJKSA-N 366.509 3.581 0 40 FHAB COCCSc1nnc(NC(=O)c2c(Cl)cccc2Cl)s1 20227785 NMXFHXVHMZVALS-UHFFFAOYSA-N 364.279 3.836 0 40 FHAB O=C(c1ccc(Cl)cc1)c1cccc(CN2CCC3(CC2)OCCO3)c1 2515231 NISADTRNAZOJOO-UHFFFAOYSA-N 371.864 3.910 0 40 FHAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(-n2cnc3ccccc32)cc1 8134922 MQKIASVSCAQNKS-UHFFFAOYSA-N 371.396 3.684 0 40 FHAB Cc1cccc(OCc2nnc(SCCC(=O)O)n2-c2ccccc2)c1 916858 PCDNZOXSTKPLSI-UHFFFAOYSA-N 369.446 3.722 0 40 FHAB CCOc1ccc(NC(=O)Nc2cccn(Cc3ccccc3)c2=O)cc1 1354029 NJMHXTWXOLDESE-UHFFFAOYSA-N 363.417 3.939 0 40 FHAB CCOC(=O)[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(F)(F)F 3103141 XXFDIRNZDDTXKF-SECBINFHSA-N 359.131 3.609 0 40 FHAB COC(=O)C[C@H]1c2ccc3cc(OC)ccc3c2CC[C@@]1(C)C(=O)OC 4721437 SVKRYUBDXQSLOP-GHTZIAJQSA-N 356.418 3.621 0 40 FHAB CCN(CC)c1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1 6629984 SNZJVMWJRWBNSN-XSFVSMFZSA-N 363.461 3.934 0 40 FHAB COc1cc(NC(=S)Nc2ccc(C)c(F)c2)cc(OC)c1OC 7350852 UUSDUDVTGQVONS-UHFFFAOYSA-N 350.415 3.969 0 40 FHAB Cc1ccc(C)c(N(CCCC(=O)N(C)c2ccccc2)S(C)(=O)=O)c1 10287336 IPQVNXVSPMJQCS-UHFFFAOYSA-N 374.506 3.513 0 40 FHAB O=C(Nc1c(F)cccc1F)C1CCN(C(=O)c2ccc(F)cc2)CC1 57358856 JYMQNRGROFEYRP-UHFFFAOYSA-N 362.351 3.595 0 40 FHAB Cc1cc(=O)n(CC(=O)N(C)C2CCCCC2)c(-c2cccc(Cl)c2)n1 57526838 UZOVVHRETKUKHI-UHFFFAOYSA-N 373.884 3.663 0 40 FHAB CC(C)COc1cccc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)c1 22840382 YTXODYSPMDCQPS-NRFANRHFSA-N 352.478 3.850 0 40 FHAB CC(C)c1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)cnn1-c1cccc(Cl)c1 23108307 MBQBQXDCTWZXCL-KBPBESRZSA-N 361.873 3.899 0 40 FHAB COc1ccc(N[C@H](NC(=O)c2ccccc2)C(=O)c2cccs2)cc1 913178 KHNAKIROAOPCMC-LJQANCHMSA-N 366.442 3.808 0 40 FHAB O=C(NCc1nc2ccccc2[nH]1)C1C[C@@H]2CC[C@H](C1)C21SCCS1 12559129 DCWAYZKRFHJODZ-AGUYFDCRSA-N 373.547 3.792 0 40 FHAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1SC(F)F 12521391 SVQXEZRJPSDMEV-UHFFFAOYSA-N 373.402 3.809 0 40 FHAB CCCCOC(=O)c1ccc(NC(=O)c2ccc3nsnc3c2)cc1 57315884 OHCKHDKOXBPHRE-UHFFFAOYSA-N 355.419 3.901 0 40 FHAB Cn1ncc2c1CCC[C@@H]2NC(=O)CSCc1ccc(Cl)s1 24988858 NJRIXKVFEJSZSB-LBPRGKRZSA-N 355.916 3.562 0 40 FHAB C[C@H](OC(=O)c1ccc(O)cc1)C(=O)Nc1cccc(Cl)c1Cl 3284356 YOWVOMMLIKFOON-VIFPVBQESA-N 354.189 3.883 0 40 FHAB COc1ccc(OC)c(C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 57485663 CGFKAMMLWLSHAB-UHFFFAOYSA-N 366.417 3.865 0 40 FHAB COc1ccc(C)cc1[C@@H](C)Nc1cc(C)nc2nc(C(F)(F)F)nn12 26696577 FRYYZHJPJSTRRR-LLVKDONJSA-N 365.359 3.942 0 40 FHAB COc1cccc(NC(=O)CN2CCC(c3nc4ccccc4o3)CC2)c1 57872174 ZZITVDIETKZNNM-UHFFFAOYSA-N 365.433 3.655 0 40 FHAB CCCC[C@H](c1nnnn1C(C)(C)C)N1CCN(c2ccccc2F)CC1 57669747 KERCTTKKZWYQRJ-GOSISDBHSA-N 374.508 3.621 0 40 FHAB CC[C@@H](NC(=O)CCNC(=O)c1ccco1)C12CC3CC(CC(C3)C1)C2 36063206 WVONLWRCAMBZCT-DIKOGFFKSA-N 358.482 3.511 0 40 FHAB CCOC(=O)c1sc(NC(=O)[C@@H](c2ccccc2)n2cccn2)cc1C 58357628 VNUPPIYUXQGKKJ-MRXNPFEDSA-N 369.446 3.658 0 40 FHAB CC[C@@H](Sc1nnc(-c2cccs2)n1CC(N)=O)c1ccccc1 58311445 SBZDPVAFUORKIC-CYBMUJFWSA-N 358.492 3.735 0 40 FHAB CN(Cc1cccc2ccccc12)C(=O)Cn1ccc(=O)c2ccccc21 58427004 RUUINRDMWHUSCE-UHFFFAOYSA-N 356.425 3.813 0 40 FHAB CCCCNC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc12 2293843 LWQCHZCZDKELQM-UHFFFAOYSA-N 373.460 3.994 0 40 FHAB COc1cccc(NC(=O)COC(=O)c2oc3ccc(OC)cc3c2C)c1 3321708 JQMZYRIBRIKTGP-UHFFFAOYSA-N 369.373 3.554 0 40 FHAB O=C(CCc1nc(Cc2ccccc2)no1)Nc1nc2ccccc2s1 36391465 UVURWZYSWYDEAK-UHFFFAOYSA-N 364.430 3.841 0 40 FHAB Cc1cc(-c2nn3c(-c4cccc(Cl)c4Cl)nnc3s2)n[nH]1 36367025 ZZPSJMAXNVUWRP-UHFFFAOYSA-N 351.222 3.858 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccccc1Br 3314049 KZCRUEYLIWEBHZ-GFCCVEGCSA-N 374.234 3.584 0 40 FHAB CCN(CC)[C@@H]1NC(n2nc(C)cc2C)=Nc2sc3c(c21)CCCC3 28286585 CZCNXNWNRPYONR-KRWDZBQOSA-N 357.527 3.920 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2)N1C[C@H]1CCCO1 2407123 QPBLXBQJFPSLGA-DNVCBOLYSA-N 361.397 3.517 0 40 FHAB COc1ccc(-c2noc(-c3ccccc3C(=O)NCC(C)C)n2)cc1 2419362 KWIXXSJFADPRLD-UHFFFAOYSA-N 351.406 3.798 0 40 FHAB C[C@H]1C(=O)N(CN2CC=C(c3ccccc3)CC2)C(=O)N1c1ccccc1 12869196 CDGHGKQMGPERAU-KRWDZBQOSA-N 361.445 3.591 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Cc1noc2ccccc12 8388927 VJOUZBNQRSSRSO-UHFFFAOYSA-N 374.444 3.831 0 40 FHAB Cc1ccc(F)c(C(=O)O[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)c1N 64185024 NJGZDHPNESESCZ-GFCCVEGCSA-N 354.381 3.934 0 40 FHAB Cc1ccccc1N1O[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]1c1ccco1 4159752 JLKCCMDOJXCROF-VAMGGRTRSA-N 374.396 3.639 0 40 FHAB Cc1cc2nnc(S[C@@H](C)C(=O)NCc3ccco3)n2c2ccccc12 6039436 CWHVRCOMLZJHCG-ZDUSSCGKSA-N 366.446 3.581 0 40 FHAB O=C1Nc2ccccc2[C@@]12Oc1ccccc1[C@@H]1CC(c3ccco3)=NN12 4263979 BEZSJOPYXMZJRL-LAUBAEHRSA-N 357.369 3.628 0 40 FHAB c1ccc(-n2ncc3c(SCc4nc5ccccc5[nH]4)ncnc32)cc1 5248913 DUHBXDKHZFTPRY-UHFFFAOYSA-N 358.430 3.984 0 40 FHAB CC(=O)N(c1nc(CSc2nccn2C)cs1)c1ccccc1F 6369147 JSIVTAXPMLZDLF-UHFFFAOYSA-N 362.455 3.993 0 40 FHAB Cc1cccc(N2CCN(C(=O)C3CCC(n4cccc4)CC3)CC2)c1 65565174 DVKSZMVDXBEBBS-UHFFFAOYSA-N 351.494 3.877 0 40 FHAB COc1ccc2[nH]c(C(=O)N3CCN(c4ccc(F)cc4)CC3)c(C)c2c1 5345282 YNNVUUAVTZGRNJ-UHFFFAOYSA-N 367.424 3.586 0 40 FHAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)n2ncnc2N1 4724038 MCZRPHQFIQUIAK-MRXNPFEDSA-N 351.435 3.576 0 40 FHAB CCC[C@@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2ON1c1ccccc1 18124948 YQUPYKFFHHVBLL-KURKYZTESA-N 370.836 3.819 0 40 FHAB C[C@H](Sc1nnc(N2CCOCC2)n1-c1ccccc1)c1ccccc1 8707278 YNEQZCWZCBTQFV-INIZCTEOSA-N 366.490 3.957 0 40 FHAB CC1CCN(C(=O)COC(=O)c2ccccc2Cc2ccccc2)CC1 4923589 MGVLDZGNPCEINK-UHFFFAOYSA-N 351.446 3.693 0 40 FHAB C[C@@H](Cc1nnc(NC(=O)COc2ccccc2)s1)c1ccccc1 9095453 OHHWCRWZGSBORW-AWEZNQCLSA-N 353.447 3.902 0 40 FHAB COC(=O)c1sccc1NS(=O)(=O)c1cc(Cl)sc1Cl 8710367 JMLJGUQLJDPPSU-UHFFFAOYSA-N 372.276 3.704 0 40 FHAB Cc1ccc(OC(=O)C2CCC(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)CC2)cc1 15945704 UKMCVZAYRRNQTQ-LRMJVLKBSA-N 369.461 3.634 0 40 FHAB CCc1ccccc1NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O 22379821 XDJPOYSBZOBTJM-UHFFFAOYSA-N 374.506 3.579 0 40 FHAB COc1ccc(C2=CCN([C@@H](C)C(=O)N(C)Cc3cccc(F)c3)C2)cc1 95456011 MUSKQIRNUYAENK-INIZCTEOSA-N 368.452 3.580 0 40 FHAB O=C(O)c1cccc(Cc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)c1 95953129 SSJHIIQJYWJYNR-UHFFFAOYSA-N 362.410 3.941 0 40 FHAB C[C@H](C(=O)NCc1ccccc1)N1CC=C(c2c[nH]c3ccccc23)CC1 89478872 MWZHKIBHHQADGT-QGZVFWFLSA-N 359.473 3.962 0 40 FHAB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccco3)C2=O)c1 409318224 VEEQZEQAJOPSNG-OQLLNIDSSA-N 356.403 3.571 0 40 FHAB CCCCCOc1ccc(S(=O)(=O)n2nnc3ccccc32)cc1C 27822581 IHXBWVZRDIKJTJ-UHFFFAOYSA-N 359.451 3.546 0 40 FHAB O=C(C1CC1)N1CCC2(CC1)Oc1ccccc1-c1ncn(CC3CC3)c12 306140547 UWYQQUPGUFREAO-UHFFFAOYSA-N 363.461 3.580 0 40 FHAB O=C(CSc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 31850698 VEOVPEMOOWYYBS-JXMROGBWSA-N 352.503 3.636 0 40 FHAB CCN(Cc1cccs1)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32795650 ODQULQPRKBJNAL-KRWDZBQOSA-N 368.502 3.638 0 40 FHAB Cc1ccc2c(c1)cc(C(=O)NCCc1nc3cc(C)c(C)cc3[nH]1)n2C 35316910 YUCCAXDXASNVGP-UHFFFAOYSA-N 360.461 3.952 0 40 FHAB CC(=O)c1cccc(NC(=O)C2CN(c3nc4ccccc4s3)C2)c1 62023099 YFHMQAYTUALRTL-UHFFFAOYSA-N 351.431 3.574 0 40 FHAB Cc1ccccc1Sc1ccc2c3c(=O)n(C)nc(Cl)c3cn2n1 66088710 PAQIRBKFIGRBKZ-UHFFFAOYSA-N 356.838 3.694 0 40 FHAB COc1ccc(-c2nnc(NC(=O)COc3ccccc3C)s2)cc1 136352811 AVXAWVWIUHNZDG-UHFFFAOYSA-N 355.419 3.540 0 40 FHAB Cn1ncc(Cl)c1-c1nnc2sc(-c3ccc(Cl)cc3)nn12 72404557 AVDWSQFEXBZJOH-UHFFFAOYSA-N 351.222 3.560 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](CC)Oc2ccccc2OC)c1 219560241 HEXSPGKUTUGADM-QGZVFWFLSA-N 371.433 3.976 0 40 FHAB COc1ccc(CSCC(=O)NCCOc2cc(C)ccc2C)cc1 223980121 GVBWBMXOGBAJSL-UHFFFAOYSA-N 359.491 3.740 0 40 FHAB CCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC(C)C 224765815 YQYXCXHLALHDME-OAQYLSRUSA-N 366.505 3.951 0 40 FHAB Cc1cccc(CN(C(=O)CCc2ccccc2)[C@H](C)C(=O)NC(C)C)c1 225498257 HANAIPRUPGZPRB-LJQANCHMSA-N 366.505 3.870 0 40 FHAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)n1C 223851002 VLXSYWIGVXDCJK-MOPGFXCFSA-N 364.474 3.611 0 40 FHAB Cc1cc(C)c(NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)c(C)c1 222474633 SNBUKKABQYBPPS-UHFFFAOYSA-N 360.479 3.568 0 40 FHAB C[C@H](C(=O)NCCCc1ccccc1F)N1C(=O)CCCc2ccccc21 227169257 HOPJGPAXHHOIMJ-MRXNPFEDSA-N 368.452 3.633 0 40 FHAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cccc(OC)c2)c(C)c1 44904750 LOVFVBDKSSKERR-LJQANCHMSA-N 371.433 3.976 0 40 FHAB Cn1c(=O)sc2cc(NC(=O)CSCc3ccc(F)cc3)ccc21 225051422 ULBYCUHSMWJTON-UHFFFAOYSA-N 362.451 3.611 0 40 FHAB CCOC(=O)c1c(NCc2ccccc2F)c2cc(F)ccc2[nH]c1=O 49001417 VGQVOYPEJCEPBV-UHFFFAOYSA-N 358.344 3.595 0 40 FHAB Cc1ccc(-c2nn3c(C(F)(F)F)nnc3s2)cc1Br 226293772 LVHJDGCGKXMEAK-UHFFFAOYSA-N 363.162 3.943 0 40 FHAB CCO[C@@](C)(CC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 225816384 ZSFWTSSLEUITNX-DJJJIMSYSA-N 351.443 3.794 0 40 FHAB COc1ccccc1CNS(=O)(=O)c1cc(C(C)C)c(OC)cc1C 224971851 OOMPUTXGKRDGRQ-UHFFFAOYSA-N 363.479 3.614 0 40 FHAB CCOc1ccc([C@@H](N)c2n[nH]c(-c3cccc(C)c3)n2)cc1OCC 95534601 XOLAWBRYHFIUOD-GOSISDBHSA-N 352.438 3.626 0 40 FHAB CCOC1CC2(CCN(C(=O)N[C@@H](c3ccc(OC)cc3)C3CC3)C2)C1 576727466 LVWYBXXQBNBOBQ-OBXNSHGQSA-N 358.482 3.747 0 40 FHAB CCN(CC)c1nc(-c2ccc(OC)c(Cl)c2)c(CC(=O)O)s1 95097181 IXCSLIQXWGLBGG-UHFFFAOYSA-N 354.859 3.945 0 40 FHAB CNC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)o1 98068505 QMYKERUJBCYWLZ-NSHDSACASA-N 365.524 3.787 0 40 FHAB COC[C@@H]1COCCC12CCN(C(=O)c1ccc3ccccc3c1)CC2 96106298 BJYTVAQRIZMEOY-HXUWFJFHSA-N 353.462 3.745 0 40 FHAB CSc1ncccc1C(=O)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 252498777 RKUCOIHRLWKDQA-OAHLLOKOSA-N 365.458 3.645 0 40 FHAB Cc1cccc(-c2n[nH]cc2CN2CCC[C@](CO)(c3ccccc3)C2)c1 585080713 VVPTZWGLBPVVBO-QHCPKHFHSA-N 361.489 3.911 0 40 FHAB COc1ccc(C2(CNC(=O)c3cc(NC(C)=O)ccc3F)CCC2)cc1 542301186 SEBIULSPIOWNOQ-UHFFFAOYSA-N 370.424 3.644 0 40 FHAB CC(=O)N1CC[C@H](NCCCn2c(C)nc3ccccc32)c2ccccc21 621749192 UICSVESMDSVCCZ-IBGZPJMESA-N 362.477 3.822 0 40 FHAB O=C([C@@H]1CSC[C@H]1c1ccccc1)N1CCO[C@H](Cc2ccccc2)C1 651665813 HKXPACXEBUCEML-QHAWAJNXSA-N 367.514 3.603 0 40 FHAB CO[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H](C)C1)C1CC1 1769667391 ZDVGNUPDYIPUPN-SPYBWZPUSA-N 372.488 3.525 0 40 FHAB CC(=O)N1CCCC[C@H]2CN(C[C@]3(O)CC[C@@H](C(C)(C)C)CC3)CC[C@H]21 585285419 YLMZMAKVZPFXEM-ITTUMRLJSA-N 364.574 3.677 0 40 FHAB COc1ccc(-c2n[nH]c(Sc3cnc4ccccc4n3)n2)c(OC)c1 58210063 RHIWDFBILFXHMX-UHFFFAOYSA-N 365.418 3.583 0 40 FHAB O=C(Nc1cc(-c2ccncc2)n[nH]1)c1cnn(-c2ccc(Cl)cc2)c1 58210070 OIQZLJMYRJJYHS-UHFFFAOYSA-N 364.796 3.563 0 40 FHAB O=C1CO[C@@]2(CCCN(C3CCCCCC3)C2)CN1c1cccc(F)c1 1615121057 MLRFJBQJCZRGAU-OAQYLSRUSA-N 360.473 3.746 0 40 FHAB CCCc1cnc(SCC(=O)c2ccc(Br)cc2)nc1O 1554502573 LYVGOBPPLHAJPN-UHFFFAOYSA-N 367.268 3.872 0 40 FHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(Cl)cc1 12909548 QDFIIWCQGFQUMD-CQSZACIVSA-N 369.856 3.552 0 40 FHAB CCc1ccc([C@H](C)NC(=O)CNCCOc2ccc(Cl)cc2)cc1 16046920 URZWWRGEIRBYQO-HNNXBMFYSA-N 360.885 3.748 0 40 FHAB CCCCn1nc(C)c2c(C(=O)Nc3cnn(CC)c3C)cc(C)nc21 17073341 GUVFWEXFCKVWPF-UHFFFAOYSA-N 354.458 3.625 0 40 FHAB Cc1csc([C@H](Cc2ccsc2)NC(=O)C[C@@H](C)n2ccnc2)n1 19240150 LDHCAHWORXONSH-HIFRSBDPSA-N 360.508 3.761 0 40 FHAB Oc1cc(-c2ccncc2)nc([C@@H]2CCCN2Cc2ccc(F)c(F)c2)n1 19292930 VXRCGJTVCRYQMM-SFHVURJKSA-N 368.387 3.860 0 40 FHAB c1ccc(CN2CCc3nc(N4CCCC4)nc(-c4ccco4)c3C2)cc1 19372332 UFNWUDUSOJVUDO-UHFFFAOYSA-N 360.461 3.895 0 40 FHAB Cc1nn(C)c(C)c1CCn1cncc1-c1ccc2c(c1)CC[C@H](C)N2C 19719343 HLIXBPNLAWXROZ-HNNXBMFYSA-N 363.509 3.914 0 40 FHAB COc1cccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)c1OC 7342942 DWPCGUNCNBCXNY-GDNBJRDFSA-N 356.403 3.798 0 40 FHAB Cc1nc(NCc2nnc3ccccn23)c2c3c(sc2n1)CCCC3 20669215 RRIZGFSWUKIKMW-UHFFFAOYSA-N 350.451 3.533 0 40 FHAB CCCc1noc(Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)n1 29218042 PYTSYZBAMNULFG-UHFFFAOYSA-N 366.446 3.817 0 40 FHAB C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1F 23994066 MZVOSBUCKGCXSM-CYBMUJFWSA-N 351.418 3.954 0 40 FHAB Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc3c(c2)OCO3)c1 2723026 LVLSGXSMYKZRRK-UHFFFAOYSA-N 367.430 3.640 0 40 FHAB O=C(C1CCCCC1)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1 4583525 XIFVVLXHOBMQAI-UHFFFAOYSA-N 365.449 3.803 0 40 FHAB COc1ccc(CCNC(=O)C2(c3cccs3)CCCC2)cc1OC 12157501 WRSCYDRNEQZIGW-UHFFFAOYSA-N 359.491 3.936 0 40 FHAB Cc1cc(C)n([C@H](CNC(=O)NCc2cccs2)c2ccsc2)n1 575613329 FRIRGBXIAPPAAP-MRXNPFEDSA-N 360.508 3.712 0 40 FHAB CC(C)c1ccc(CN2CCc3nc([C@@H]4CCCNC4)ncc3C2)cc1 19453294 KKKWXRLONGCNRA-LJQANCHMSA-N 350.510 3.625 0 40 FHAB O=C(Nc1cc(N2CCCC2=O)ccc1Cl)C1C[C@@H]2CCC[C@H](C1)C2=O 40090710 WXXIUPJPGRJFMG-PBWFPOADSA-N 374.868 3.801 0 40 FHAB O=C(COc1ccc2c(c1)CCC2)Nc1ccc(-n2cccn2)c(F)c1 40152078 OOVGOFOIGQDMRZ-UHFFFAOYSA-N 351.381 3.518 0 40 FHAB Cc1ccc2c(C(=O)N[C@@H](C)C(F)(F)F)cc(-c3cnn(C)c3)nc2c1 20207246 QXHLTHFORWSUKX-NSHDSACASA-N 362.355 3.624 0 40 FHAB O=C(Nc1ccc(F)cc1)[C@@H]1CC(O)=Nc2cc(-c3ccc(F)cc3)nn21 32072290 VEZWGRDMWTUPJY-INIZCTEOSA-N 368.343 4.000 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)Nc1cccc(Cl)c1-n1cncn1 46221524 JDCLRSKKWNMWNB-UHFFFAOYSA-N 365.824 3.973 0 40 FHAB Cc1sc2ncnc(NS(=O)(=O)c3ccc(Cl)cc3)c2c1C 2622156 MFWYENUYAAPTSE-UHFFFAOYSA-N 353.856 3.762 0 40 FHAB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C)CC1 21003395 HHVYYYUHYHHLQK-KRWDZBQOSA-N 350.890 3.743 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 2644498 ZKEPORVIFDOTNR-DNVCBOLYSA-N 361.445 3.694 0 40 FHAB COC[C@@H](C)NC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 3294744 CSPPMGGYCMXAHY-SNVBAGLBSA-N 363.870 3.814 0 40 FHAB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(C(C)C)cc2)n2ncnc2N1 4151222 FDYAERPXDFFKET-LJQANCHMSA-N 374.448 3.724 0 40 FHAB CSc1ncc(Cl)c(C(=O)O[C@@H](C)C(=O)c2ccc(Cl)cc2)n1 21582949 NLCNSPPSSCCMNE-QMMMGPOBSA-N 371.245 3.934 0 40 FHAB CCN(CCC(=O)Nc1ccccc1Cl)Cc1ccc2c(c1)OCO2 32825243 VFTZTHGVMFPTCF-UHFFFAOYSA-N 360.841 3.919 0 40 FHAB COC(=O)c1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(c2cccc(C)c2)C(=O)N1 4852842 SEWMNBDHGSRFPY-JXFKEZNVSA-N 352.390 3.551 0 40 FHAB CC(=O)NC(c1nc2cc(C)c(C)cc2[nH]1)c1nc2cc(C)c(C)cc2[nH]1 4878493 PBKSRLRVYSIOHO-UHFFFAOYSA-N 361.449 3.898 0 40 FHAB COc1cccc(C(=O)COC(=O)c2ccc(F)cc2Br)c1 17836928 HYBXOBNDHHZMOU-UHFFFAOYSA-N 367.170 3.637 0 40 FHAB COc1ccc(C(=O)NC(=S)Nc2ccc(C(C)C)cc2)c(OC)c1 7388513 AKBXLHNKVHDQFC-UHFFFAOYSA-N 358.463 3.954 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc3cn[nH]c3c2)cc1OC 32901629 XKRVMYWAOHQUGQ-KRWDZBQOSA-N 351.406 3.557 0 40 FHAB COc1ccc(-c2c(C(C)C)nn3c4c(nnc23)C(=O)C[C@H](C)C4)cc1 10156974 YWKJTYDTZMYDAM-GFCCVEGCSA-N 350.422 3.688 0 40 FHAB Cc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1NS(C)(=O)=O 10368693 OAJLVLLXKKSKQD-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1 8478100 ANAHYNKWXFLEDR-HZPDHXFCSA-N 354.450 3.929 0 40 FHAB Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(C(N)=O)cc3)c12 12227911 LQPBLSFEKHLSDW-UHFFFAOYSA-N 372.384 3.549 0 40 FHAB CCOC(=O)c1c(NC(=O)[C@H]2CCCO2)sc2c1CC[C@@H](CC)C2 668564 IBVFDWJWVJKGMN-DGCLKSJQSA-N 351.468 3.557 0 40 FHAB O=C(Nc1ccc(F)cc1)[C@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 12391137 NQPIIQJZWOIPEZ-INIZCTEOSA-N 365.408 3.798 0 40 FHAB O=C(NC1CCCCC1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 22571549 NOJQQURDTVFGFN-UHFFFAOYSA-N 352.413 3.865 0 40 FHAB COCC(=O)Nc1ccc(NC(=O)N(C)[C@H](C)c2ccccc2F)cc1 47488533 XHNNRYHJFIOSPJ-CYBMUJFWSA-N 359.401 3.636 0 40 FHAB O=C(Cn1c(=O)sc2ccccc21)Nc1ccccc1C(F)(F)F 803055 YFTJLNOCYVSIAA-UHFFFAOYSA-N 352.337 3.721 0 40 FHAB C[C@@H]1CN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)CCO1 54133914 WFIKWIIJQCVYLZ-CYBMUJFWSA-N 362.376 3.893 0 40 FHAB CCOC(=O)c1sc(NC(=O)/C=C/c2cccc(Cl)c2)nc1C 995269 NRIKMYCGGOSEEN-BQYQJAHWSA-N 350.827 3.934 0 40 FHAB CN1CCN(C(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)CC1 23379461 LABINKVBAQKIFB-UHFFFAOYSA-N 365.864 3.943 0 40 FHAB CC(=O)N1CCCN(Cc2csc(Nc3ccc(C)c(C)c3)n2)CC1 23731728 VNPWSKDDJRMJFV-UHFFFAOYSA-N 358.511 3.558 0 40 FHAB Cc1oc(-c2ccccc2)nc1C(=O)OCc1noc(-c2ccco2)n1 23945677 QYGKRNIUTKLDJX-UHFFFAOYSA-N 351.318 3.650 0 40 FHAB COc1cccc(CNC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)c1 51364589 ZVGYGIFADXBFAG-LJQANCHMSA-N 374.440 3.531 0 40 FHAB Cc1c(C(=O)N(C)Cc2ccc(OC(F)F)cc2)[nH]c2c1C(=O)CCC2 24634857 POMMLJNFUDMNJF-UHFFFAOYSA-N 362.376 3.716 0 40 FHAB O=C(c1ccc(-n2ccnc2)nc1)N1CC=C(c2c[nH]c3ccccc23)CC1 24797720 OSYBMDJXRMOIJC-UHFFFAOYSA-N 369.428 3.678 0 40 FHAB COCCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C)nc(C)c1C 55250977 PHRXNDFHSISLAE-MRXNPFEDSA-N 361.511 3.882 0 40 FHAB Cc1cccc(NC(=O)[C@@H](C)N2CCC(C(=O)Nc3ccccc3)CC2)c1 24855699 GPENWUZEDJZFEC-QGZVFWFLSA-N 365.477 3.673 0 40 FHAB O=C(COC(=O)c1cc(Cl)cc(Cl)c1)NCCc1ccc(F)cc1 3247130 JQPZXNKSWGNDER-UHFFFAOYSA-N 370.207 3.648 0 40 FHAB COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 3382486 BFCWAKKLUXIMJG-UHFFFAOYSA-N 368.414 3.842 0 40 FHAB CC(C)COc1ccc(-c2nonc2NC(=O)COc2ccccc2)cc1 27662798 TULNVTUZFSXLBR-UHFFFAOYSA-N 367.405 3.789 0 40 FHAB C[C@@H](Sc1nncn1C)C(=O)Nc1ccc(Oc2ccccc2)cc1 3320961 KXRIDOWCISUXAH-CYBMUJFWSA-N 354.435 3.727 0 40 FHAB CC(=O)Nc1ccc(NCC(=O)N[C@H]2CCCC[C@H]2C)c(C(F)(F)F)c1 36391571 HEJJYSQUGSPTSP-ABAIWWIYSA-N 371.403 3.771 0 40 FHAB O=C(Nc1nc2c(s1)CCCC2)c1cc(Br)ccc1O 2352660 MPGRJTOXWHISKR-UHFFFAOYSA-N 353.241 3.742 0 40 FHAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2C[C@@H](C)O[C@H](C)C2)o1 28654357 WVCRCVQXAPZUHP-HZPDHXFCSA-N 365.433 3.690 0 40 FHAB Cc1ccc(C)c(SCCOc2ccc(S(=O)(=O)N(C)C)cc2)c1 12786098 DIKVTQZRDVMPEU-UHFFFAOYSA-N 365.520 3.725 0 40 FHAB O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)on1 23131468 KHJJMKLKJGYDGG-SFHVURJKSA-N 361.401 3.585 0 40 FHAB O=S(=O)(/C=C/c1ccccc1)NCCc1ccc(C(F)(F)F)cc1 3435892 ACASVEAZXPNZKR-ACCUITESSA-N 355.381 3.838 0 40 FHAB COc1ccc(C(C)=O)cc1CSc1nnnn1-c1ccc(C)cc1C 3416634 KSPRLQXFSJLQRQ-UHFFFAOYSA-N 368.462 3.783 0 40 FHAB COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1cccs1 3434535 OMYCIIDLRQLCJO-UHFFFAOYSA-N 370.430 3.631 0 40 FHAB CC(C)c1ccccc1OCC(=O)Nc1ccccc1N1CCCC1=O 12988961 HKPXWTXAUSNLOH-UHFFFAOYSA-N 352.434 3.954 0 40 FHAB COc1ccc([C@H](CNC(=O)Nc2ccccc2C)N2CCCC2)cc1 28247779 OQXQPTMJKHTTCB-FQEVSTJZSA-N 353.466 3.962 0 40 FHAB COc1ccc(-c2nnc(SCCOc3ccccc3C)n2C)cc1 6077941 JAWCCHLAMGYLNX-UHFFFAOYSA-N 355.463 3.970 0 40 FHAB COC(=O)[C@H](Cc1cccc(Cl)c1)c1cc(=O)oc2cc(OC)ccc12 13719717 AHLVUJQJPPQKGZ-QGZVFWFLSA-N 372.804 3.954 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2cn(C)c3ccccc23)c1 5261406 RAXSNZOKMFVYLD-CQSZACIVSA-N 364.401 3.565 0 40 FHAB COc1ccccc1/C=C/C(=O)NCc1ccc(OC(F)(F)F)cc1 14018527 KGGPJBHOUBHWCN-DHZHZOJOSA-N 351.324 3.923 0 40 FHAB COc1ccc(-c2nnc3sc(-c4cccc(N(C)C)c4)nn23)cc1 5350394 HDAZBJWIKUSVBN-UHFFFAOYSA-N 351.435 3.594 0 40 FHAB CC(=O)Nc1ccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1 6640207 OJUYQUXXYCIGSZ-UHFFFAOYSA-N 365.477 3.538 0 40 FHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 5927484 YVMJQFCVMXJPAK-UHFFFAOYSA-N 355.415 3.817 0 40 FHAB O=C(CNc1ccc2c(c1)OC(F)(F)O2)N1CCSc2ccccc21 9118879 IRGWAWUBLWBQGV-UHFFFAOYSA-N 364.373 3.559 0 40 FHAB CCc1ccc(-c2noc(CSc3nnc(C(F)(F)F)n3C)n2)cc1 7180701 VYURMRZYXCALHL-UHFFFAOYSA-N 369.372 3.739 0 40 FHAB Cc1ccc([C@@H](CNC(=O)COc2ccccc2)N2CCC(C)CC2)o1 15860288 YACUFLXENSJFFS-LJQANCHMSA-N 356.466 3.556 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)CSc1ccc(F)cc1F 7535758 NEEXUBZEFSQTKB-UHFFFAOYSA-N 366.389 3.663 0 40 FHAB Cc1ccsc1C(=O)Nc1cc2c(cc1Br)OCCO2 16008975 CHEVOGNJQFVAOY-UHFFFAOYSA-N 354.225 3.843 0 40 FHAB Cc1c(C(=O)N2CCN(c3ncccn3)CC2)oc2c1ccc1ccccc12 7955640 YFFOWWQYMGKRRY-UHFFFAOYSA-N 372.428 3.647 0 40 FHAB Cc1occc1-c1nnc(S[C@@H]2C[C@H](C)OC2=O)n1-c1ccccc1 9471145 RUQDQFGHSKWZFU-XHDPSFHLSA-N 355.419 3.632 0 40 FHAB O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN(c2ncccn2)C1 9532009 ZGVOKWLIAQWBGZ-LLVKDONJSA-N 351.237 3.639 0 40 FHAB COc1ccccc1CNC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 9679424 QYLRWYWBZTUCCC-MRXNPFEDSA-N 364.449 3.661 0 40 FHAB O=C(O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2Cl)cc1Cl 78938520 USCFWFFFZBMASE-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB CC[C@@H]1CN(C(=O)c2oc(C)cc2C)CC[C@@H]1NC(=O)OC(C)(C)C 95441481 LKFOJGZFTVJQIX-CABCVRRESA-N 350.459 3.662 0 40 FHAB CCc1ccccc1OCC(=O)N[C@H](c1ccc(Cl)cc1)c1ncon1 95445546 BHOSGMHAOVJVCZ-GOSISDBHSA-N 371.824 3.570 0 40 FHAB O=C(c1ccoc1)N1CCC(N[C@@H](c2ccccc2)c2ccncc2)CC1 95967466 XOFUTPNABFQAIS-NRFANRHFSA-N 361.445 3.658 0 40 FHAB CN(C)c1cc2[nH]c(O)nc2cc1NC(=O)c1ccc(Cl)cc1Cl 408535399 SOLYPGYEJKBMAN-UHFFFAOYSA-N 365.220 3.894 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCc1cnc(C2CC2)nc1 89620992 RRIWFHUTXBSIMP-UHFFFAOYSA-N 359.857 3.524 0 40 FHAB O=C(Cn1nnc2cc(Cl)c(Cl)cc21)Nc1ccc(F)c(F)c1 89769840 YGSVENUSGITGAL-UHFFFAOYSA-N 357.147 3.655 0 40 FHAB O=C(Cc1ccc(F)cc1)N1CCN(Cc2c(F)cccc2Cl)CC1 27931326 LJOHEMULADBALN-UHFFFAOYSA-N 364.823 3.505 0 40 FHAB O=C(OCc1csc(-c2ccccn2)n1)c1cc(Br)c[nH]1 23196048 PYNJJOZXNFQHLL-UHFFFAOYSA-N 364.224 3.653 0 40 FHAB CCCCN1C(=O)[C@H](C(=O)OCC)[C@@H](C(C)C)n2c1nc1ccccc12 20638152 UEMPXKZNNQIKML-IAGOWNOFSA-N 357.454 3.559 0 40 FHAB CCCCCC[C@@H](C)n1c(-c2no[nH]c2=NC(C)=O)nc2ccccc21 408980479 WVWGOXCQWNZZOH-CYBMUJFWSA-N 355.442 3.998 0 40 FHAB COc1cc(/C=C2/SC(=N)NC2=O)ccc1OCc1ccccc1F 4491990 MKROYPKCYJFPAT-CXUHLZMHSA-N 358.394 3.552 0 40 FHAB CC(=O)N1CCC(NC(=O)/C=C/c2ccc(-c3ccccc3)s2)CC1 39979677 GHTWFLSCWSUSIS-CSKARUKUSA-N 354.475 3.555 0 40 FHAB O=C(NCc1ccc(C(F)(F)F)cc1)c1nc(-c2cccs2)no1 36611925 HDSIRQMYLWQLLQ-UHFFFAOYSA-N 353.325 3.747 0 40 FHAB O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2CN(Cc3cccs3)C[C@H]21 306144102 YWFDSALJONPVCV-PKOBYXMFSA-N 371.483 3.763 0 40 FHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)c1 216199477 KMSXHIJLYUFSCZ-HLIPFELVSA-N 360.542 3.863 0 40 FHAB CC(C)Cc1nc(NC(=O)c2cc(C(C)C)nn2-c2ccccc2)n[nH]1 79478753 PATYWXAJEWGRJK-UHFFFAOYSA-N 352.442 3.565 0 40 FHAB COc1ccc(COC(=O)[C@@H]2CCCCN2Cc2ccc(OC)cc2)cc1 79440026 PWPJEBGDBIUTEM-NRFANRHFSA-N 369.461 3.802 0 40 FHAB COC(=O)c1cc(NC(=O)CSc2ccc(F)cc2)ccc1Cl 31056197 ZFJFOVGWOVRTMK-UHFFFAOYSA-N 353.802 3.997 0 40 FHAB CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 33983737 DBEPLOCGEIEOCV-VLDRPNAOSA-N 372.553 3.815 0 40 FHAB in-vivo COc1cccc(CC(=O)N2CCC(c3onc4c3CCCC4)CC2)c1 72392439 QOMGMKSOTOBOJO-UHFFFAOYSA-N 354.450 3.511 0 40 FHAB COc1cccc(CN2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)c1 72389986 BIYHTYDJFVMFGF-QGZVFWFLSA-N 350.422 3.520 0 40 FHAB COCc1cccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1 224531771 LICMBKFEVGLWCT-UHFFFAOYSA-N 352.478 3.992 0 40 FHAB Cn1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 224415510 PBVVOONYCOENJN-QZTJIDSGSA-N 352.438 3.736 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccccc1CN1CCCC1 224791400 LAHUWXWGDVGGKP-HXUWFJFHSA-N 370.468 3.895 0 40 FHAB O=C(CCCn1c(=O)oc2ccccc21)N1CCCSc2ccccc21 48344450 QJDCZHQEOUJOHD-UHFFFAOYSA-N 368.458 3.904 0 40 FHAB CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Br)s1 222723926 DOWOPTUNXGYDTK-NWDGAFQWSA-N 354.298 3.508 0 40 FHAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(NC(C)=O)c1 223439903 VENOONNZORVGER-UHFFFAOYSA-N 370.883 3.821 0 40 FHAB COc1ccc(S(=O)(=O)NCC2CCCCC2)c(Cl)c1Cl 223853718 FWUPDYDMVWMMAN-UHFFFAOYSA-N 352.283 3.861 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1cc(C)ccc1C 222975838 LRQAHYQJRXQNQR-QGZVFWFLSA-N 370.468 3.538 0 40 FHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1 223086158 URQSPJYPYKHYAM-SJORKVTESA-N 370.468 3.700 0 40 FHAB CC[C@@H](C)n1ncc(C(=O)NCc2ccc(OC)c(OC)c2)c1C1CC1 89583922 ULJHOOLHPJXBGF-CYBMUJFWSA-N 357.454 3.679 0 40 FHAB CC(=O)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1 98086515 YAZHISPKPQHWFL-YVLHZVERSA-N 371.389 3.988 0 40 FHAB O=C(Nc1cccnc1)[C@H]1C[C@@]12CCN(C(=O)Nc1ccc(Cl)cc1)C2 96226845 ZBKYFJLLRAAIBF-VQIMIIECSA-N 370.840 3.618 0 40 FHAB O=C(Cc1ccc(Cl)cc1)N1C[C@H]2CN(CCCc3ccccc3)[C@H]2C1 96244870 LARNIUFPZLBEBH-CTNGQTDRSA-N 368.908 3.658 0 40 FHAB Cn1cc(CN[C@@H]2CC3(CCN(c4cccnc4)CC3)c3ccccc32)cn1 96079019 VRJBLGSGVDSUKJ-JOCHJYFZSA-N 373.504 3.588 0 40 FHAB Cc1ccc(NC(=O)c2cc3c(=O)n4cccc(C)c4nc3s2)cc1F 96347325 CFELRSYUIMKBLX-UHFFFAOYSA-N 367.405 3.917 0 40 FHAB Cc1cccc(C2(NC(=O)c3cccc4c3O[C@H](C)C(=O)N4)CCCC2)c1 591193886 ZMSKXKWXUJZNCT-OAHLLOKOSA-N 364.445 3.914 0 40 FHAB CC1(C)CC[C@@H]2C[C@H](NC(=O)c3ccc4oc(O)nc4n3)c3cccc1c32 613276375 BAEMFSPBYBHONE-ABAIWWIYSA-N 363.417 3.958 0 40 FHAB N[C@H](CCNC(=O)Nc1cccc(C2CCOCC2)c1)Cc1ccccc1 632956125 OMTCFSNMWDOUBI-HXUWFJFHSA-N 367.493 3.662 0 40 FHAB CC(C)Oc1ccc(C(=O)N2CC[C@H](O)[C@H](Cc3ccccc3)C2)cc1 585275266 BMRPQYWAMIEQFK-CTNGQTDRSA-N 353.462 3.540 0 40 FHAB CC(C)CCNc1ncccc1C(=O)N(C)CCN(C)Cc1ccccc1 936068989 LGPOHRXHJKUPII-UHFFFAOYSA-N 368.525 3.744 0 40 FHAB O=C(CSc1ccc(F)c(F)c1)Nc1ccn(CCc2ccncc2)n1 58217755 JWRVOHQPHJSMNM-UHFFFAOYSA-N 374.416 3.530 0 40 FHAB O=C(Cc1ccccc1Cl)N1CCC(CSC2=NCCS2)CC1 85472373 JJAPFBPSSPETJK-UHFFFAOYSA-N 368.955 3.957 0 40 FHAB CCOc1ccc([C@H](C)NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 11169212 PHEYKWYBUVQBLR-COSNYCCFSA-N 355.434 3.993 0 40 FHAB COc1ccc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2cccnc2)c(C)c1C 12135012 QKXHCYCASSYFCZ-TYABSZSSSA-N 366.505 3.827 0 40 FHAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1cc(Cl)cc(Cl)c1 15989173 SARDZJIQPLDSOZ-OAHLLOKOSA-N 367.232 3.899 0 40 FHAB CCCc1nn(CC(=O)Nc2ccc(CC)cc2)c(=S)n1-n1cccc1 16777314 JXNUAUWZLNUEDW-UHFFFAOYSA-N 369.494 3.681 0 40 FHAB COc1ccc(-c2cc(C(=O)N(C)OC)c3ccccc3n2)cc1OC 17793199 MUSMNZNFFREKMM-UHFFFAOYSA-N 352.390 3.552 0 40 FHAB CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCN(CC2CC2)C1 19529118 AUPQQKIFTYNACX-HSZRJFAPSA-N 363.505 3.529 0 40 FHAB COCCn1c(C)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c1C 8334241 GMEJNSUKVHGCRJ-KRICTJEJSA-N 363.527 3.840 0 40 FHAB O=C(Nc1ccc(Br)cc1F)c1nccc(C(F)(F)F)n1 1888866666 CWDAYPBFPCXXRE-UHFFFAOYSA-N 364.096 3.649 0 40 FHAB COc1cc2c(cc1CNC1CCN(Cc3ccccc3)CC1)O[C@@H](C)C2 22771322 VZPCDOPLRKFMMN-KRWDZBQOSA-N 366.505 3.773 0 40 FHAB O=C(CSCc1ccccc1)NCCn1cc(-c2ccccc2)cn1 244969205 HEFQNEYTQDLCIF-UHFFFAOYSA-N 351.475 3.600 0 40 FHAB CCOc1ccccc1NC(=O)c1cccn(Cc2cccc(F)c2)c1=O 5268772 AYYWBWZZKMFBCH-UHFFFAOYSA-N 366.392 3.687 0 40 FHAB Cn1cc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc21 5265608 JDXCADNOUFWDOA-UHFFFAOYSA-N 352.413 3.672 0 40 FHAB O=C(c1ccc(C(F)(F)F)cc1)N1CCCN(C2CCSCC2)CC1 1775968198 QMXNCHHNFTXOKP-UHFFFAOYSA-N 372.456 3.749 0 40 FHAB O=C(NCc1cccc2ccccc12)N[C@@H]1CCN(Cc2ccsc2)C1 585150049 IALHWXCPIUBJKF-LJQANCHMSA-N 365.502 3.975 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 40039817 KIZCUYPEPGJKAH-UONOGXRCSA-N 373.371 3.514 0 40 FHAB CC1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 40073475 CZEPBXOELIEUCW-MRXNPFEDSA-N 369.292 3.857 0 40 FHAB CCCNC(=O)c1ccc2c(c1)C(=O)N(c1c(C)cc(C)cc1C)C2=O 20103068 CZPMVPILOAPKIH-UHFFFAOYSA-N 350.418 3.552 0 40 FHAB CCC1=NN(C(=O)c2ccc(Cl)cc2)[C@@](O)(c2ccc(OC)cc2)C1 799721 DVLUHRZOFOSITG-IBGZPJMESA-N 358.825 3.806 0 40 FHAB CC(C)(C)c1ccc(O)c(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)c1 21006894 YJPKVCZUHVGGMX-UHFFFAOYSA-N 368.355 3.509 0 40 FHAB CCn1c(S)nc2cc(C(=O)N(C)[C@H](C)c3ccccc3)ccc2c1=O 102179508 AJBAERHCMCNGKH-CYBMUJFWSA-N 367.474 3.538 0 40 FHAB COc1cccc(C(=O)Nc2c3c(nn2-c2ccccc2)CSC3)c1 3892405 TWKBVLGESPPICE-UHFFFAOYSA-N 351.431 3.880 0 40 FHAB Cc1nn(C)c2ncc(NC(=O)/C=C/c3cccc(Br)c3)cc12 32899789 AWTHZWOSEJYITR-VOTSOKGWSA-N 371.238 3.691 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1n[nH]c(=S)n1C 6364990 QFKDGCXQVKWOJB-LLVKDONJSA-N 359.282 3.912 0 40 FHAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)c1 7360595 NFTBCGTYDPGLSA-UHFFFAOYSA-N 365.451 3.637 0 40 FHAB O=S(=O)(Nc1c(F)cccc1F)c1ccc(OC(F)(F)F)cc1 7405386 VAQJPTVLTUSMSJ-UHFFFAOYSA-N 353.268 3.664 0 40 FHAB CC(=O)Nc1ccccc1OCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 7750939 DJLKAAGKTXIKLU-OAHLLOKOSA-N 366.461 3.780 0 40 FHAB CCC[C@@H](c1nnnn1C(C)C)N1CCN(c2cccc(C)c2C)CC1 57670134 VQJBBMSPYQWNDO-IBGZPJMESA-N 356.518 3.534 0 40 FHAB Nc1nc(CN2CCc3sccc3C2)nc2sc3c(c12)CCCC3 22277755 JUEBLIZPBKZPOZ-UHFFFAOYSA-N 356.520 3.772 0 40 FHAB COc1cc([C@H]2CC(=O)Nc3nc(N)sc32)ccc1OC1CCCC1 12419203 XXOGKUGYDSDIFL-GFCCVEGCSA-N 359.451 3.529 0 40 FHAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 100179114 AHRHOXMJGPWESI-BRFGJLLKSA-N 367.754 3.916 0 40 FHAB Cc1ccc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 33796145 BCPKLEIFPDSPIR-UHFFFAOYSA-N 362.395 3.972 0 40 FHAB C[C@H](Sc1ccccc1)C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 12538800 FMFPVDRCDRPREY-KBXCAEBGSA-N 369.465 3.946 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccccc2N2CCCC2)c1C 24190856 GGVYKAFMPICYEM-UHFFFAOYSA-N 353.466 3.707 0 40 FHAB CC(C)[C@@H](Sc1cccc[n+]1[O-])C(=O)Nc1cccc2ncccc12 42937134 COGGPQOEDSXMFM-GOSISDBHSA-N 353.447 3.624 0 40 FHAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H]1COc2ccccc2O1 25986376 DZBHQZOCJFYULI-OCCSQVGLSA-N 363.866 3.777 0 40 FHAB Cc1ccc(C2(O)[C@H]3CCC[C@H]2CN(Cc2cccc(F)c2F)C3)nc1 100149352 BTMVVBSLBKEEMF-IRXDYDNUSA-N 358.432 3.788 0 40 FHAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NOCc1ccccc1 25035447 WRSFMURZRBATQT-NRFANRHFSA-N 374.440 3.796 0 40 FHAB COC(=O)C1(NC(=O)CSc2ccc3ccccc3c2)CCCCC1 25175586 FICGEWHZXVVBGI-UHFFFAOYSA-N 357.475 3.924 0 40 FHAB CCn1c(SCC(=O)N[C@@H]2CCOc3ccccc32)nc2ccccc21 12602948 BQKMXWHSUYAMPO-OAHLLOKOSA-N 367.474 3.788 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C 3347548 HDBHSECIUBEJAE-SFHVURJKSA-N 358.413 3.618 0 40 FHAB CC(C)C[C@H](NC(=O)C[C@@H](NC(N)=O)c1ccccc1)c1ccccc1 29107189 TUHYXYKWZVZPLY-RBUKOAKNSA-N 353.466 3.690 0 40 FHAB O=C(NC[C@H](NC(=O)Nc1ccccc1F)C1CC1)Nc1ccccc1F 58170927 BIXCFMKNYOGAQC-KRWDZBQOSA-N 374.391 3.687 0 40 FHAB COc1ccc(CNC(=O)c2cccnc2Nc2cccc(F)c2)cc1 44852051 HWAUBECAAOOPPZ-UHFFFAOYSA-N 351.381 3.903 0 40 FHAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2Cl)c1 20152141 PNVHABKTSROFHD-UHFFFAOYSA-N 362.838 3.782 0 40 FHAB C[C@H](C(=O)Nc1cccc(F)c1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12751382 FQHBPYBAAKXWNK-HZPDHXFCSA-N 369.440 3.503 0 40 FHAB OC1=Nc2ccc(Br)cc2C(c2ccc(Cl)cc2)=N[C@H]1O 2203734 JNRYGFQYBNCMGQ-HNNXBMFYSA-N 365.614 3.860 0 40 FHAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1 64983396 BSHJDJUIZWHISQ-QGZVFWFLSA-N 354.450 3.546 0 40 FHAB Cc1cccc2c(=O)n(CCCC(=O)N[C@@H](C)c3ccc(F)cc3)cnc12 10745866 YXMZERLYCCPNCM-HNNXBMFYSA-N 367.424 3.502 0 40 FHAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc2ncsc2c1 48325616 CIDRQUAIYUMKOH-MRXNPFEDSA-N 355.463 3.846 0 40 FHAB CCOc1cccc(-c2nn3c(-c4ccccc4OC)nnc3s2)c1 2425283 URBNXXXEGGUYTJ-UHFFFAOYSA-N 352.419 3.927 0 40 FHAB O=C(OCCCOc1ccc(F)cc1)c1ccc(NC(=O)C2CC2)cc1 24781536 IUNLJJOEPQIZSK-UHFFFAOYSA-N 357.381 3.800 0 40 FHAB CCN(C(=O)[C@@H](C)OC(=O)Cc1c[nH]c2ccccc12)C1CCCCC1 12811097 PDWYUGJRQJLXTR-OAHLLOKOSA-N 356.466 3.823 0 40 FHAB COC(=O)c1ccc(F)c(NC(=O)CSCc2ccc(F)cc2)c1 12905879 AJUUFDNWKOFULA-UHFFFAOYSA-N 351.374 3.623 0 40 FHAB COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3nc2C)c1 12907905 CASGGXQNAMLNIJ-UHFFFAOYSA-N 369.446 3.686 0 40 FHAB COc1ccc(NC(=O)c2ccc(OCc3noc(C)n3)cc2)cc1Cl 12973398 QBDBVWOPOWHZRD-UHFFFAOYSA-N 373.796 3.871 0 40 FHAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NC2CC2)o1 12927389 UJAWVZDGIXQDBT-ACCNSPFPSA-N 350.418 3.947 0 40 FHAB O=C(CCC[C@H](O)c1ccc(F)cc1)N1C(=O)OC[C@@H]1Cc1ccccc1 49588680 HHUXYEQQINYZFS-OALUTQOASA-N 371.408 3.620 0 40 FHAB COCCn1c(SCc2ccccc2Cl)nc2ccccc2c1=O 4161565 AMVOYXCAELMFLT-UHFFFAOYSA-N 360.866 3.989 0 40 FHAB Cc1ccc2nc(NC(=O)[C@H](C)n3cc(Br)cn3)sc2c1 28224508 WSVMNOWKPWMPBS-VIFPVBQESA-N 365.256 3.763 0 40 FHAB C[C@@H](NC(=O)COc1ccc(C(N)=O)cc1)c1ccc(-c2ccccc2)cc1 14117114 QBEUTLVYMZXNTA-MRXNPFEDSA-N 374.440 3.709 0 40 FHAB COc1ccc(C(=O)Nc2c(-c3cccs3)nc3ncccn23)cc1 8766632 JNOBCBHSFGRIPC-UHFFFAOYSA-N 350.403 3.719 0 40 FHAB CCCCn1c(O)c(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccccc21 5737718 NUPCUGCDZPJGFC-OAHLLOKOSA-N 364.445 3.998 0 40 FHAB COc1cccc(-c2nc(CSc3cccc[n+]3[O-])cs2)c1OC 5780232 XVXQHGANHMQXKK-UHFFFAOYSA-N 360.460 3.753 0 40 FHAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)NCc1ccco1 4997111 GTALMZBVZACSDN-NSHDSACASA-N 368.418 3.608 0 40 FHAB Cc1ccc(C2=CCN(C(=O)C3CCN(C(=O)C(C)(C)C)CC3)CC2)cc1 8884073 TWLZRAVZGXSPLK-UHFFFAOYSA-N 368.521 3.895 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)cc1C 7235897 VXCXGZGNZJGQEY-UHFFFAOYSA-N 370.453 3.969 0 40 FHAB CC(C)C(=O)N[C@H]1C[C@@H](Cc2cc(COc3ccccc3)on2)C1(C)C 67890283 XSMDLBRWCPOVKY-BEFAXECRSA-N 356.466 3.983 0 40 FHAB biogenic,in-vitro O=C(NC[C@H]1COc2ccccc2O1)c1sccc1-c1ccccc1 7783295 PPIUSIPSDQKZTJ-HNNXBMFYSA-N 351.427 3.985 0 40 FHAB COc1ccc(NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1 7917306 WTXTXIUCLPRWLW-SFHVURJKSA-N 356.422 3.585 0 40 FHAB CCSc1nnc(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)s1 9109006 OXTVRDAFYRGQRV-UHFFFAOYSA-N 361.448 3.626 0 40 FHAB CC(=O)N[C@@H]1C(=O)N(Cc2ccc(OC(C)C)cc2)c2c(C)cccc21 8047553 RECVFHJWORESAP-IBGZPJMESA-N 352.434 3.506 0 40 FHAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2cccc(-n3cccc3)c2)c1 8138490 NPYJSLWQPGHSPH-UHFFFAOYSA-N 361.445 3.805 0 40 FHAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1cc(Cl)cc2cccnc12 25600695 INXIZPHHXQADAC-UHFFFAOYSA-N 363.804 3.953 0 40 FHAB CC1CCN(C(=O)[C@H](C)Sc2nnc3c(Cl)cc(Cl)cn23)CC1 9479922 NZEWJDICKBBGCV-JTQLQIEISA-N 373.309 3.775 0 40 FHAB CSc1cccc(NC(=O)c2cn3c4c(cccc4c2=O)CCC3)c1 22235351 YJWIRVDBURQXFD-UHFFFAOYSA-N 350.443 3.922 0 40 FHAB O=C(NCCn1cccc1)Nc1cccc(NC(=O)c2cccs2)c1 72314292 FJLHHBYCLZIABY-UHFFFAOYSA-N 354.435 3.624 0 40 FHAB O=C(Nc1cccc(Cn2cncn2)c1)[C@H]1CCCC[C@H]1C(F)(F)F 84374391 BFGAZZLNFDVQSC-LSDHHAIUSA-N 352.360 3.634 0 40 FHAB Cc1cc(=O)c(C(=O)NCC2CCCCCCC2)nn1-c1ccccc1 95364889 YXXZRSQKBCEJAC-UHFFFAOYSA-N 353.466 3.631 0 40 FHAB CCC[C@H]1CN(C(=O)c2cc(C)oc2C)CCN1C(=O)c1cc(C)oc1C 79056224 UAPULSSBNLVCOP-KRWDZBQOSA-N 372.465 3.873 0 40 FHAB CCN1C[C@@H](CN(C)C(=O)N[C@@H](C)c2cc(C)oc2C)Oc2ccccc21 84779942 PUJRDXCFIRDZER-DOTOQJQBSA-N 371.481 3.886 0 40 FHAB CCOc1cccc([C@H]2C[C@H]2Nc2ccc3nnc(C(F)(F)F)n3n2)c1 95463041 MYIJAVAOBIDERR-CHWSQXEVSA-N 363.343 3.510 0 40 FHAB C[C@@H](C(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl)N1CCSCC1 95432685 BZMTWOWTOCQKOF-NEPJUHHUSA-N 361.338 3.950 0 40 FHAB COCCn1cc(CCCC(=O)Nc2c(C)nn(C)c2C)c2ccccc21 79495612 VOJQJJRUSUKRTQ-UHFFFAOYSA-N 368.481 3.599 0 40 FHAB CC(C)(C)OC(=O)N1CC([C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 95698618 DXIUEVCSPZDMNJ-INIZCTEOSA-N 360.454 3.512 0 40 FHAB in-vitro Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2scnc2C2CC2)C1 89811413 JGDUILSOLWFICS-OAHLLOKOSA-N 359.470 3.867 0 40 FHAB COCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccccc1 408574606 JDXMZTXIORLROP-HNNXBMFYSA-N 372.490 3.572 0 40 FHAB O=C1C[C@@H](C(F)(F)F)c2c(c(C(=O)O)cn2-c2ccc(Cl)cc2)N1 66091445 BXWMNQSRWGRLMJ-SNVBAGLBSA-N 358.703 3.817 0 40 FHAB O=C(Nc1ccc2c(c1)C(=O)NCC2)NC(c1ccccc1)c1ccccc1 70638351 IKEIQSYRZBNPPH-UHFFFAOYSA-N 371.440 3.884 0 40 FHAB O=C(Cn1ccc2ccc(Br)cc21)Nc1ccc2c(c1)OCO2 36353187 PEWJULXPWMVEFG-UHFFFAOYSA-N 373.206 3.771 0 40 FHAB CC(C)OC[C@@H](O)Cn1c([C@@H](C)Oc2ccccc2)nc2ccccc21 76555461 DAPXSRDHPJUXQU-SJORKVTESA-N 354.450 3.962 0 40 FHAB COc1ccccc1CNC(=O)c1csc(NCc2ccccc2)n1 44902016 JDSUVDZDSIXARX-UHFFFAOYSA-N 353.447 3.694 0 40 FHAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C)c2)c1 224549644 FQRUKSJKXIPXDD-RTBURBONSA-N 364.474 3.606 0 40 FHAB Cc1ccccc1CN(C(=O)Cc1ccccc1F)[C@H](C)C(=O)NC(C)C 225496378 HDHCQJZTPHZTMC-QGZVFWFLSA-N 370.468 3.619 0 40 FHAB CC(C)Oc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2F)cc1 42645952 VSPYLHOTTDABKQ-UHFFFAOYSA-N 364.804 3.521 0 40 FHAB Cc1cc(C)cc(O[C@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)c1 223520766 GSOPQTGUKFYHQS-LJQANCHMSA-N 367.489 3.935 0 40 FHAB CCOc1cccc(CNC(=S)Nc2ccc(N3CCCC3=O)cc2)c1 225440181 AWXBDLGKZONIDC-UHFFFAOYSA-N 369.490 3.699 0 40 FHAB Cc1ncc(S(=O)(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)s1 328724216 ATUHFGPRMJHLPJ-CQSZACIVSA-N 364.492 3.566 0 40 FHAB CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c(C)n1 225875610 DARMVCYWOOTHHL-UHFFFAOYSA-N 358.413 3.615 0 40 FHAB COc1ccc(-c2ncc(C(=O)O)c(Nc3ccccc3)n2)cc1OC 49469669 YJMAXABHUNKCBN-UHFFFAOYSA-N 351.362 3.603 0 40 FHAB COc1ccc(-c2noc(-c3nc(Cc4cccc(F)c4)no3)n2)cc1 98212359 SRUHOEPRCQVRIC-UHFFFAOYSA-N 352.325 3.525 0 40 FHAB O=C(O)c1ccccc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 231425753 UIPSQRPSCHKDLJ-UHFFFAOYSA-N 353.399 3.853 0 40 FHAB O=c1[nH]n(C2CCCCC2)c2c1[C@H](c1ccc(O)cc1)SCC(O)=N2 95475950 GWVBEVDHCXITCK-INIZCTEOSA-N 359.451 3.811 0 40 FHAB Cc1nn(C)c2nc([C@@H]3CCCN(Cc4ccc(Cl)cn4)C3)ccc12 257287987 PSHHLOAIUWFQMV-CQSZACIVSA-N 355.873 3.705 0 40 FHAB Cc1cc2cncn2c([C@@H]2CCCCN2C(=O)c2nccc3ccccc23)n1 257226944 FMXNCOBGZPIQNU-IBGZPJMESA-N 371.444 3.953 0 40 FHAB CCN1C(=O)CC[C@@H](C(=O)NCCc2ccccc2)[C@@H]1c1ccccc1C 257299488 RQHAEMNHGHBWRW-IRLDBZIGSA-N 364.489 3.654 0 40 FHAB COc1cc(Cl)ccc1CNC1(c2nc(C(C)C)no2)CCOCC1 585114005 YJRAYRNJUZRRNT-UHFFFAOYSA-N 365.861 3.651 0 40 FHAB Cc1ncsc1C(=O)N1CCOC[C@H](Cc2cccc3occc23)C1 257256239 KKPJHONHLCMASF-CQSZACIVSA-N 356.447 3.529 0 40 FHAB Cc1nnc([C@H]2CN(C(=O)c3ccc(C4CCCC4)cc3)C[C@@H](C)O2)o1 619282313 SXACVDHVAZUAGD-FZKQIMNGSA-N 355.438 3.638 0 40 FHAB C[C@H](NC(=O)Cc1c[nH]c2nccc(Cl)c12)c1nc2ccccc2[nH]1 1639537238 XXCQGTKHXYAHFI-JTQLQIEISA-N 353.813 3.513 0 40 FHAB CC(C)n1cnc(NC(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)n1 653900723 GEJMKXIYXKNGLZ-UHFFFAOYSA-N 368.359 3.818 0 40 FHAB C[C@H](c1ccc(F)cc1)N1CC[C@@H](Nc2cc3oc(O)nc3cc2F)C1=O 656661034 QRSDHEJAGQLNLN-QMTHXVAHSA-N 373.359 3.586 0 40 FHAB O=C(NCc1cc(C2CC2)n(C2CCCC2)n1)c1ccc2nsnc2c1 96104077 YZFIBMRGOPBBKR-UHFFFAOYSA-N 367.478 3.810 0 40 FHAB COc1ccccc1[C@@H](CNC(=O)/C=C/c1ccc(SC)cc1)OC 96384827 KWCGTLCDPZUYRS-YFPIXMDGSA-N 357.475 3.934 0 40 FHAB COCc1ccc(CN[C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)o1 680145512 STICHGHCHPIJJP-STZQEDGTSA-N 354.494 3.816 0 40 FHAB CCS(=O)(=O)c1cccc(Cc2nc([C@H]3CCc4ccccc43)no2)c1 683580240 AKOQEBGAAIKOEX-SFHVURJKSA-N 368.458 3.532 0 40 FHAB Cn1c(-c2ccccc2)c(C(=O)COC(=O)c2cnccn2)c2ccccc21 5398469 ZOGCGNUEVSQIPZ-UHFFFAOYSA-N 371.396 3.675 0 40 FHAB CCc1cccc2c(CC(=O)NCc3nc(-c4ccccc4)no3)c(C)[nH]c12 12202710 CWEMRTJKAPFHLJ-UHFFFAOYSA-N 374.444 3.948 0 40 FHAB Cc1ccc(-c2cc([C@@H]3CCN(C(=O)CC(C)C)C3)nc(N(C)C)n2)cc1 12235854 NOSYVNRBHYSPKO-GOSISDBHSA-N 366.509 3.880 0 40 FHAB C[C@H](NC(=O)Nc1ccccc1)C(=O)OCc1coc(-c2ccccc2)n1 12797948 JHQNWMHCYXTRFG-AWEZNQCLSA-N 365.389 3.595 0 40 FHAB COc1cc(CCC(=O)Nc2cccc3cccnc23)cc(OC)c1OC 14517721 SQNQFNUXPBOERD-UHFFFAOYSA-N 366.417 3.832 0 40 FHAB Cc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(F)cc3)n2)cc1F 15674310 IUYCTUVUOAJAHC-AEFFLSMTSA-N 371.387 3.631 0 40 FHAB biogenic,in-vitro O=C(O)c1ccc(Br)c(NC(=S)NC2CCCCC2)c1 226345636 HLZMGLLEKPZZLA-UHFFFAOYSA-N 357.273 3.766 0 40 FHAB CC[C@@H](C)c1ccccc1NC(=O)CN1C(=O)NC2(CCCCCC2)C1=O 4469586 YQQRICGUFFDPAJ-OAHLLOKOSA-N 371.481 3.783 0 40 FHAB O=C(Nc1ccccc1C(F)(F)F)N1CC(Cn2cc(Cl)cn2)C1 1889166616 FJVPUTXWDOHAQH-UHFFFAOYSA-N 358.751 3.719 0 40 FHAB Cc1nc(CN2CCC[C@H](COc3ncccc3C(F)(F)F)C2)co1 1775995755 HMZVTUUFEUZWBM-ZDUSSCGKSA-N 355.360 3.688 0 40 FHAB O=C(c1ccc(Oc2nccs2)cc1)N1[C@H]2CC[C@H]1c1cncnc1C2 238809887 AAXIOPNRIBRYLX-GUYCJALGSA-N 364.430 3.627 0 40 FHAB Cc1cnc(Nc2cccc(C3CCN(Cc4ncc[nH]4)CC3)n2)s1 2037834832 VYURVBGUTWWNPO-UHFFFAOYSA-N 354.483 3.693 0 40 FHAB O=C(NCCc1csc2nc(-c3cccc(F)c3)nn12)C1CCCCC1 5166999 SRBYKIOHQHGALR-UHFFFAOYSA-N 372.469 3.836 0 40 FHAB Cc1cccc(CSc2nc(=O)n(Cc3ccncc3)c3c2CCC3)c1 5264240 YDRFDBXTVOFMNV-UHFFFAOYSA-N 363.486 3.776 0 40 FHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2c(C)c(C)ccc2s1 5240985 HAPRTMKNIQRXCZ-UHFFFAOYSA-N 374.487 3.959 0 40 FHAB COc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(SC)c1 11694310 PAIWGCYQIXBXJJ-UHFFFAOYSA-N 357.410 3.994 0 40 FHAB Cn1/c(=N\C(=O)c2ccc(Br)cc2F)sc2ccccc21 11617224 JJOPFJUQBAHGMD-OBGWFSINSA-N 365.227 3.883 0 40 FHAB COc1ccc(/C=C\C(=O)OCc2cc(-c3ccco3)on2)cc1OC 35589975 UISRSPQFMJXXOG-VURMDHGXSA-N 355.346 3.708 0 40 FHAB O=C([C@H]1COc2ccccc2O1)N(Cc1ccsc1)Cc1ccccn1 44445995 LZKMVGTXFNOVBH-LJQANCHMSA-N 366.442 3.512 0 40 FHAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cc(C2CC2)ncn1 585360418 JNQIPZSTDNNKKC-UHFFFAOYSA-N 368.824 3.901 0 40 FHAB Fc1cccc(NC(=S)N2CCn3cccc3[C@@H]2c2ccncc2)c1 4059466 QQBUGMQPLOGFDI-SFHVURJKSA-N 352.438 3.824 0 40 FHAB CCn1c(SCCCOc2ccccc2C(=O)O)nnc1C(C)(C)C 8731791 IDWAMIWNMYOLNJ-UHFFFAOYSA-N 363.483 3.855 0 40 FHAB O=C(Cc1ccccc1)Nc1nnc(-c2cccc(Br)c2)o1 36681201 WNVUAVJSKZJDAH-UHFFFAOYSA-N 358.195 3.680 0 40 FHAB COc1ccccc1[C@H](O)CNC(=O)Nc1ccc(Cl)cc1Cl 40096554 SJBYEYLYJUXNRX-CQSZACIVSA-N 355.221 3.857 0 40 FHAB C[C@@H](CNC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1 40103291 UWNKKTPOLRPHPZ-LBPRGKRZSA-N 366.870 3.669 0 40 FHAB COc1cc(OC)c(NC(=O)c2cc(-c3ccccc3)[nH]n2)cc1Cl 11604039 CHXYLPUKCOXIDK-UHFFFAOYSA-N 357.797 4.000 0 40 FHAB Cc1cc(C(=O)N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)sc1C 29373883 DGNDELLVOXKEJM-UHFFFAOYSA-N 370.518 3.627 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)c2cc3c(C)nn(C)c3nc2C)c1 29780401 LCIPSZHJWDJCJS-UHFFFAOYSA-N 368.437 3.635 0 40 FHAB Cc1cccc(N2C(=O)c3ccc(C(=O)OCCC(C)C)cc3C2=O)c1 3197149 QTPJHWMQCRLTLD-UHFFFAOYSA-N 351.402 3.999 0 40 FHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ccc2c(c1)CCC2 3401495 QFOZGJKMYBOPBW-UHFFFAOYSA-N 370.758 3.648 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C)o2)cc1 3459063 RBEWURUJLITXHZ-UHFFFAOYSA-N 355.419 3.784 0 40 FHAB O=C(COc1ccc(Br)cc1)NCc1ccccc1Cl 3514828 RRWJNUUJIHYVGF-UHFFFAOYSA-N 354.631 3.798 0 40 FHAB CC(=O)Oc1ccc(CC(=O)Nc2ccc(Br)cc2)cc1C 4503338 YTYKKTCMPFIKSM-UHFFFAOYSA-N 362.223 3.864 0 40 FHAB O=C(NCc1cccc(Cn2ccnc2)c1)N1CCc2ccc(Cl)cc21 60545507 CAPOFIWYGFKQRO-UHFFFAOYSA-N 366.852 3.857 0 40 FHAB CCOc1ccc(NC(=O)CNc2cccc(C(C)=O)c2)cc1OCC 4904103 SUWJUEBJFKMISQ-UHFFFAOYSA-N 356.422 3.737 0 40 FHAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(C)c(C)c3)n2)cc1 6205685 MUPWWGZDWRWUNI-UHFFFAOYSA-N 368.462 3.828 0 40 FHAB CCN(CC)CCOC(=O)c1ccc(NC(=O)NC2CCCCC2)cc1 6416308 CEHZYXNQEJOFKB-UHFFFAOYSA-N 361.486 3.639 0 40 FHAB CCCCc1ccc(NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1 6652955 DZBANTZXIWIUDW-UHFFFAOYSA-N 374.506 3.742 0 40 FHAB CCN1C(=O)N/C(=C/c2ccccc2OCc2ccccc2Cl)C1=O 6951890 ONIXCEHQVWQURV-LFIBNONCSA-N 356.809 3.832 0 40 FHAB COc1ccc(NC(=O)CN(C)C(=O)c2cc3c(s2)CCCCC3)cc1 8302990 VHWDBMHJEFTZOK-UHFFFAOYSA-N 372.490 3.736 0 40 FHAB O=C(c1ccco1)N1N=C(c2ccco2)C[C@H]1c1ccc2nccnc2c1 12420751 KWFRYQJKHAFEBZ-KRWDZBQOSA-N 358.357 3.807 0 40 FHAB Cc1ccnn1C[C@H](C)c1cc(O)n2ncc(-c3ccc(F)cc3)c2n1 100775487 QXBOIFDUFFKAPW-LBPRGKRZSA-N 351.385 3.550 0 40 FHAB O=C(Oc1ccccc1C(=S)N1CCOCC1)c1ccccc1Cl 866323 AUUPBYTYEDXSMJ-UHFFFAOYSA-N 361.850 3.567 0 40 FHAB Cc1ccc(C(=O)N[C@H](C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)C(C)C)cc1 105287389 QAJVIOIVSYSBEL-JVJLKXRTSA-N 356.510 3.690 0 40 FHAB O=C(c1n[nH]c2c1CCCC2)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 100166597 UNHMXHVVZWNFLA-IRXDYDNUSA-N 353.441 3.978 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Sc2ccc(OC)cc2)c1 20489621 JUIBSQWFASJJJB-ZDUSSCGKSA-N 359.447 3.910 0 40 FHAB CCc1cc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)sc1C 24302009 GEIYVDNICJOVRI-UHFFFAOYSA-N 370.518 3.512 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Oc2ccc(OC)cc2)c1 105513850 CPDODXNNVQVZNP-NSHDSACASA-N 363.797 3.541 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1 24218461 VEMXFXUTENKOCP-ZIAGYGMSSA-N 358.413 3.760 0 40 FHAB Cc1c(Cl)cccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 20491967 WEXDGBAFCVXZGH-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccccc1Br)OC2=O 100261052 UMKUNFLYVYUETK-HZPDHXFCSA-N 352.228 3.510 0 40 FHAB CCN(CC)c1ccc(C(=O)OCC(=O)Nc2c(C)cccc2C)cc1 3238981 RWRCCGMSOCWNOX-UHFFFAOYSA-N 354.450 3.945 0 40 FHAB O=C(COC(=O)COc1ccccc1F)Nc1cc(Cl)ccc1Cl 3240246 HBCCMSABIPCZAO-UHFFFAOYSA-N 372.179 3.693 0 40 FHAB COc1ccc(NC(=O)CSCC(=O)Nc2cccc(C)c2C)cc1 1892664 WVLUAXGUYDCYGT-UHFFFAOYSA-N 358.463 3.622 0 40 FHAB O=C(O)c1ccc2oc(-c3ccccc3Br)c(O)c(=O)c2c1 27082387 UTLVKYWQBHEBLS-UHFFFAOYSA-N 361.147 3.626 0 40 FHAB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccs1 20633322 WZISJYOQQDROAE-KRWDZBQOSA-N 369.446 3.576 0 40 FHAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc2ncsc2c1 22917174 KRQWATJGEHFCOZ-UHFFFAOYSA-N 368.386 3.545 0 40 FHAB Cc1c(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)oc2c1C(=O)CCC2 44743197 KTPILBFQZQUHRJ-UHFFFAOYSA-N 372.446 3.971 0 40 FHAB CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCN(C)CC2)c(C(C)C)c1 35999942 CQWOXKKYXIZQFB-UHFFFAOYSA-N 366.571 3.993 0 40 FHAB Cc1c(C(=O)N2CCN(c3nccs3)CC2)sc2cccc(F)c12 10270217 BTNMZTVEQICQKI-UHFFFAOYSA-N 361.467 3.768 0 40 FHAB CCN1CCC[C@H]1CN(Cc1cccnc1)Cc1ccc(OC)c(OC)c1 22931741 KQTSRJVYGXTYMX-FQEVSTJZSA-N 369.509 3.585 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)NCc1nc(-c2cccs2)no1 58295953 LMHMURKWAJEXQE-UHFFFAOYSA-N 352.419 3.528 0 40 FHAB COc1ccc(NC(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc1 27926005 PKWKGOGESRAEMF-UHFFFAOYSA-N 350.422 3.819 0 40 FHAB Cc1nnc2ccc(C(=O)N[C@H](c3ccc(F)cc3)c3cccs3)cn12 58427011 JTKDXVRULXACMQ-GOSISDBHSA-N 366.421 3.758 0 40 FHAB COc1ccc([C@H](O)[P@@](=O)(OC(C)C)c2ccc(N(C)C)cc2)cc1 2379823 NIDVRFJAHFQOSJ-CLOONOSVSA-N 363.394 3.781 0 40 FHAB COc1cccc(-c2nc3nc4ccccc4nc3n2C[C@@H]2CCCO2)c1 2416912 JQEQJLPEFCKDIL-INIZCTEOSA-N 360.417 3.834 0 40 FHAB Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)n1 12759997 VFFDSZXOFXMMIK-UHFFFAOYSA-N 373.459 3.505 0 40 FHAB CCc1nnc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)s1 11474610 FTZWRTNHUREYMW-UHFFFAOYSA-N 364.377 3.605 0 40 FHAB O=C(CCCNC(=O)c1cccs1)Nc1ccc(OC(F)(F)F)cc1 12888470 LPOHNXXYMUKZPO-UHFFFAOYSA-N 372.368 3.795 0 40 FHAB COC(=O)c1ccc(O[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 8491963 HURWTNMISPZGCF-CQSZACIVSA-N 369.417 3.718 0 40 FHAB CCCCCOc1ccc(/C=C/C(=O)N[C@H](C(=O)O)C(C)C)cc1OC 62714460 KSNXOVCWISZSJQ-JARZOMNASA-N 363.454 3.503 0 40 FHAB Cc1ccc(-c2csc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)n2)cc1 12913936 IOIIQJIHFOFAKD-QGZVFWFLSA-N 364.426 3.839 0 40 FHAB CSc1ccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 12930609 KXJVCDKMXLPAJJ-UHFFFAOYSA-N 350.484 3.994 0 40 FHAB O=C(O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)N1CCC(Cc2ccccc2)CC1 13320371 LVTNBUDAGKFJFO-NTFDOXNWSA-N 355.478 3.605 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)CCn1c(=O)sc2ccccc21 5014998 AULXSSSYAGVJMS-OAHLLOKOSA-N 354.475 3.591 0 40 FHAB COc1ccc(NC(=O)C[S@](=O)c2ccc(Cl)c(Cl)c2)cc1 5210767 ITJATCWRJDPYTB-JOCHJYFZSA-N 358.246 3.748 0 40 FHAB O=C(NCc1cccnc1)c1cn(-c2ccccc2)nc1-c1ccccc1 6346503 KVPJJZVEZSSFNS-UHFFFAOYSA-N 354.413 3.864 0 40 FHAB Cc1nn(C[C@@H](C)C(=O)n2nc(C)c(Br)c2C)c(C)c1Cl 8714506 KEVFHUNHHHVXGA-SSDOTTSWSA-N 373.682 3.706 0 40 FHAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC(OCc2ccccc2)CC1 14084775 JNGCHIOPJOMBFG-MRXNPFEDSA-N 363.461 3.665 0 40 FHAB CCOc1ncccc1C(=O)Nc1ccnn1Cc1ccccc1Cl 6589606 OLBNWIJOYGUKGT-UHFFFAOYSA-N 356.813 3.631 0 40 FHAB CCc1ccc(O[C@H](C)C(=O)Nc2nonc2-c2ccc(OC)cc2)cc1 8916166 NMUCUHVVFLYPAI-CYBMUJFWSA-N 367.405 3.714 0 40 FHAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccccc1OC(F)F 8936822 ZPQJXLAATWKSEE-UHFFFAOYSA-N 369.751 3.894 0 40 FHAB O=C(CSc1nnc(C2CC2)o1)N1CCC(Cc2ccccc2)CC1 7288240 YICWPBFXWQKWQW-UHFFFAOYSA-N 357.479 3.520 0 40 FHAB Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccoc3C)n2C)c1 7236541 JULQRMPSORHYNN-CYBMUJFWSA-N 356.451 3.811 0 40 FHAB C[C@H](CNC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1)c1ccsc1 80608111 WRPNOZSZEHHQGH-PXAZEXFGSA-N 366.433 3.913 0 40 FHAB Cc1ccc(-c2csc3ncn(CC(=O)NC4CCCC4)c(=O)c23)s1 7671917 FBCXNSFKQRMBKH-UHFFFAOYSA-N 373.503 3.554 0 40 FHAB Cc1[nH]c(SCC(=O)NCc2ccccc2)nc1Cc1ccccc1 9190181 PSMDBQABHHQVAI-UHFFFAOYSA-N 351.475 3.717 0 40 FHAB C[C@@H]1C[C@H](Sc2nnc(Cc3cccs3)n2-c2ccccc2)C(=O)O1 8193452 GFFNJPORVFPYLP-DOMZBBRYSA-N 371.487 3.716 0 40 FHAB COP(=O)(OC)c1nc(-c2ccco2)oc1NCc1ccc(C)cc1 16750265 FOBBPNYMGBJBLV-UHFFFAOYSA-N 362.322 3.966 0 40 FHAB CCc1ccc(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1 113966527 PKBZQPKEQYFREN-UHFFFAOYSA-N 374.506 3.742 0 40 FHAB CCN(C(=O)[C@H](C)Sc1nnnn1C1CC1)c1cccc2ccccc12 8346206 SNQGFXBGEJRSPI-ZDUSSCGKSA-N 367.478 3.695 0 40 FHAB Cc1ccc(C)c(-c2nn([C@H](C)C(=O)NC3CC3)c(=O)c3ccccc23)c1 9836694 UWAQVKHHZBDPBC-OAHLLOKOSA-N 361.445 3.520 0 40 FHAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)N3CCCCCC3)n2C)cc1 9450300 IFFIEJHTGZFPPV-OAHLLOKOSA-N 358.511 3.674 0 40 FHAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(OC(F)(F)F)cc1 9484424 AIIHBLLTRKHJDW-UHFFFAOYSA-N 353.296 3.586 0 40 FHAB Cc1cccc2c(=O)[nH]c(/C(Cl)=C/c3ccc4c(c3)OCCO4)nc12 9495865 FJCKLIIUQUYXRI-ZROIWOOFSA-N 354.793 3.740 0 40 FHAB Cc1ccccc1C(=O)N[C@@H](NCc1cccnc1)C(Cl)(Cl)Cl 19990415 OOQLYUIEUWGLRU-OAHLLOKOSA-N 372.683 3.606 0 40 FHAB O=C(Nc1nnc(CSc2ccccc2)s1)c1ccc2c(c1)OCO2 9667423 OYCLJSPGQULDGN-UHFFFAOYSA-N 371.443 3.811 0 40 FHAB CC[C@H](C)[C@H]1CCCCN1c1ncnc2c1c(Br)nn2C 95460513 IRDALKRAZCSZAF-WDEREUQCSA-N 352.280 3.531 0 40 FHAB C[S@](=O)CCNC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 78764186 YXUNUEDFYPSUGI-OAQYLSRUSA-N 362.303 3.830 0 40 FHAB COCc1cc(N2CCCCC[C@H]2/C=C/c2ccccc2)n2ncnc2n1 95945017 BYDCLKOWIDEARP-CVTTXWKISA-N 363.465 3.733 0 40 FHAB Cn1c(CCNC(=O)CCc2ncc(-c3ccccc3)o2)nc2ccccc21 79464772 MNLILQTZKCJYTP-UHFFFAOYSA-N 374.444 3.520 0 40 FHAB O=C(O)COc1ccc(NC(=O)CCCc2nc3ccccc3s2)cc1 543710897 DBKJGEQZKYSEIX-UHFFFAOYSA-N 370.430 3.721 0 40 FHAB Cc1ccc(-c2cnc3n2C2(CCN(Cc4cccnc4)CC2)COC3)cc1 306134324 NJCQAKCEDPKPFY-UHFFFAOYSA-N 374.488 3.775 0 40 FHAB O=C(O)c1ccc2nc(-c3ccc(I)cc3)[nH]c2c1 37400891 LIECBKQPSIZOJO-UHFFFAOYSA-N 364.142 3.533 0 40 FHAB Cc1cc(S(=O)(=O)NCCCc2ccc(OC(C)C)cc2)ccc1F 225607492 XQUSRMVRMZUODJ-UHFFFAOYSA-N 365.470 3.832 0 40 FHAB O=C(NC[C@H]1CCCO1)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 225911406 JVHHHDIRSFGLHS-ZIAGYGMSSA-N 371.308 3.501 0 40 FHAB COc1ccc(-c2ncc(C(=O)Nc3cccc(C(C)=O)c3)c(C)n2)cc1 223143896 VEKXOXQXXNTWFT-UHFFFAOYSA-N 361.401 3.916 0 40 FHAB Cc1ccc2c(c1)[C@@H](Nc1cnn(Cc3ccccc3)c(=O)c1Cl)CO2 576440079 XBDUQHBRYJOPON-KRWDZBQOSA-N 367.836 3.799 0 40 FHAB Cc1ccc(NCCCNC(=O)COc2ccccc2C(C)(C)C)nc1 1587302944 ITCSCUAQWAXQFN-UHFFFAOYSA-N 355.482 3.685 0 40 FHAB Cc1nc(C(=O)NCCCc2nc3ccccc3n2C)c(C(C)C)s1 96232297 PQENBEOMZDWUEY-UHFFFAOYSA-N 356.495 3.824 0 40 FHAB Cc1[nH]nc2cc(NC(=O)[C@@H]3CCN(c4ccccc4Cl)C3)ccc12 578704137 QSGZQUUUYRGCOF-CYBMUJFWSA-N 354.841 3.990 0 40 FHAB CC(=O)N[C@@H]1C[C@H](c2ccc(N3CCCC3)c(F)c2)O[C@@H]2CCCC[C@@H]12 257200925 AFJCRJOAUXTYQP-RCVZYCBYSA-N 360.473 3.951 0 40 FHAB O=C(N[C@H]1CCCOc2c(Cl)cccc21)c1cc2c(s1)CCNC2 662513304 YWWLTFAJJUNXGZ-AWEZNQCLSA-N 362.882 3.691 0 40 FHAB COc1cccc(C2(NC(=O)N[C@@H](C)c3nc(C(C)(C)C)no3)CCC2)c1 664261658 CPUZYJZKABSTNV-ZDUSSCGKSA-N 372.469 3.815 0 40 FHAB O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1c[nH]c(C(F)(F)F)c1 1321388291 IVXBVNOXQHJMAR-UHFFFAOYSA-N 358.263 3.853 0 40 FHAB Cc1cccnc1[C@H](NC(=O)N1CCOc2cccc(F)c2C1)C(C)C 669869651 RVNRWPBEKPUFAV-GOSISDBHSA-N 357.429 3.830 0 40 FHAB CN(C)CC[C@@H]1CN(C(=O)CCc2ccccc2Cl)Cc2cccn2C1 585095553 WQZIEELICNWMAG-KRWDZBQOSA-N 373.928 3.684 0 40 FHAB O=C(CNc1cccc(F)c1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 57676552 PEUOJURUVWIOLX-SFHVURJKSA-N 370.424 3.763 0 40 FHAB Cc1nn(C)c(Cl)c1CSc1nc2ncc(Br)cc2[nH]1 68042789 YKXUVLGQLHWQMH-UHFFFAOYSA-N 372.679 3.708 0 40 FHAB CSCC[C@@H]1NC(=O)N(CC2(c3cccs3)CCCCC2)C1=O 97045900 VXZUSTUTARNEJX-ZDUSSCGKSA-N 352.525 3.624 0 40 FHAB CC1(C)C[C@]2(CCCN2C(=O)c2cscn2)CN1c1cccc(F)c1 1615157386 MYRBEYQGKGVDGA-LJQANCHMSA-N 359.470 3.946 0 40 FHAB CCc1onc(C)c1C(=O)N1[C@H]2CC[C@H](C2)[C@H]1COc1cccc(OC)c1 12085277 GHJWLPNLQNSAQE-RVKKMQEKSA-N 370.449 3.626 0 40 FHAB COc1ccc(-c2nc3cnccn3c2NCc2ccc(C)cc2)cc1CO 12113868 OFCONUQSEGLUBX-UHFFFAOYSA-N 374.444 3.818 0 40 FHAB CC(C)(C)C(=O)N[C@H](c1nccs1)C1CCN(Cc2ccccn2)CC1 12133638 UAAJTKDXVKSODU-KRWDZBQOSA-N 372.538 3.654 0 40 FHAB CC[C@H](NC(=O)c1cc(O)nc2c(C)cccc12)c1c(C)nn(CC)c1C 12195457 CSGPTVDFRAZEMN-KRWDZBQOSA-N 366.465 3.963 0 40 FHAB Oc1cc(-c2ccncc2)nc([C@@H]2CCCN(C[C@H]3CC=CCC3)C2)n1 13268244 HFZXAAXJIWGISF-FUHWJXTLSA-N 350.466 3.780 0 40 FHAB COc1ccc(/C=C/C(=O)N2CCCc3ccccc32)c(OC)c1OC 13673926 YFEYWHYSMCTIKO-ACCUITESSA-N 353.418 3.705 0 40 FHAB CCn1cc([C@H](NC(=O)[C@@H]2CCCO2)c2ccc(F)cc2)c2ccncc21 19524816 ISAPSUPEMRELOD-VQTJNVASSA-N 367.424 3.580 0 40 FHAB COc1ccc2oc(C)c(C(=O)NCCc3nc4ccccc4n3C)c2c1 19581593 LYJYWIMWIDGYSE-UHFFFAOYSA-N 363.417 3.609 0 40 FHAB Cn1cnc2ccc(NC(=O)Cc3cc(Cl)c4c(c3)OCCCO4)cc21 19714446 MVVFMJHRCVYUNJ-UHFFFAOYSA-N 371.824 3.569 0 40 FHAB Cc1cnccc1OCC1CCN(c2ncccc2Br)CC1 1888869783 QSIODDNKRPNBGV-UHFFFAOYSA-N 362.271 3.843 0 40 FHAB CN(c1ccccn1)C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 1889211586 MRZAKEZQGXHGKH-UHFFFAOYSA-N 362.477 3.623 0 40 FHAB FC(F)(F)c1cccnc1OC[C@H]1CCCN(CC2CCOCC2)C1 1775995584 ALHPCCNBXHLIMJ-HNNXBMFYSA-N 358.404 3.618 0 40 FHAB c1cc2sc(N3CCC(N4CCc5sccc5C4)CC3)nc2cn1 1775996274 NNJZBRHLGMOPJP-UHFFFAOYSA-N 356.520 3.780 0 40 FHAB CN(C)[C@H](CNC(=O)c1cccc(Br)c1)c1cccs1 23105566 WDKVGOSMMKLZFP-CYBMUJFWSA-N 353.285 3.543 0 40 FHAB Clc1ccc(CN2CCN(c3ccc(Br)cn3)CC2)s1 32913834 UHFQFXAVUPWENM-UHFFFAOYSA-N 372.719 3.881 0 40 FHAB O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccco2)o1 4264649 SHERWTFQDDGKFC-UHFFFAOYSA-N 354.149 3.654 0 40 FHAB Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3F)c2=O)cc1 4904761 HNYPLPKCRVDEFH-UHFFFAOYSA-N 360.388 3.648 0 40 FHAB O=C(COc1ccc2ccccc2c1)Nc1cc2c3c(c1)CCN3C(=O)CC2 5153396 JVHWKYLGGPEQAU-UHFFFAOYSA-N 372.424 3.693 0 40 FHAB Cc1cccc(NC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)c1C 5268993 GRUBMEZESVEFST-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccccc3)cs2)c1 5241315 MHBDYQORLANTOL-UHFFFAOYSA-N 372.471 3.856 0 40 FHAB COc1cccc(-c2cs/c(=N\c3ccccc3OC)n2CCCO)c1 10187313 YNZKUTZWDDCSAG-MRCUWXFGSA-N 370.474 3.849 0 40 FHAB COc1ccc(C(=O)NCc2cc(-c3ccc(C)cc3)on2)c(OC)c1 12235525 RNGVKQGRSXEXJX-UHFFFAOYSA-N 352.390 3.597 0 40 FHAB COc1ccc(CCC(=O)NCCOc2cccc(C(F)(F)F)c2)cc1 22480249 PDNSLBKRKVCRFA-UHFFFAOYSA-N 367.367 3.842 0 40 FHAB O=C(CSc1ccc(F)cc1)NCc1nccnc1-c1cccs1 575620793 QDOYURMNNBWIKM-UHFFFAOYSA-N 359.451 3.753 0 40 FHAB O=C(NCCn1cc(-c2ccncc2)cn1)c1ccccc1SC(F)F 575613288 ZDWXTGAPNZILLL-UHFFFAOYSA-N 374.416 3.690 0 40 FHAB O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc3ccccc23)c1 13340216 IHRKGZBCVSVPAU-UHFFFAOYSA-N 361.806 3.992 0 40 FHAB Cc1nc(-c2ccc(CC(=O)Nc3ccc(NC(N)=O)cc3)cc2)cs1 40079885 IQRLWCBKBGSRKI-UHFFFAOYSA-N 366.446 3.790 0 40 FHAB CC(C)c1ccc(CS(=O)(=O)CCC(=O)N2CCc3ccccc32)cc1 40070015 HSNPUTQVBISUPN-UHFFFAOYSA-N 371.502 3.704 0 40 FHAB O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1Cn1cncn1 40156987 DCOAGZQLYGFIPZ-UHFFFAOYSA-N 360.339 3.526 0 40 FHAB O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1ccc2oc(O)nc2c1 40153773 NUFPLHVJMFSPJJ-UHFFFAOYSA-N 352.268 3.613 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cnc3c(cnn3C(C)C)c2)c(Cl)c1 32097920 VPQGBKLARNGYLH-UHFFFAOYSA-N 364.858 3.775 0 40 FHAB O=C(O)C1=C[C@H](c2cccs2)n2nc(SCc3ccccc3)nc2N1 101598713 IYNUEFHBIWBYKX-CYBMUJFWSA-N 370.459 3.615 0 40 FHAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)c1ccc(Cl)cc1 1044987 XJHNKLIDDAUPPL-UHFFFAOYSA-N 366.730 3.895 0 40 FHAB Cc1cc(C(=O)Nc2ccccc2N2CCN(C)CC2)c2ccccc2n1 32675968 XTJLMFUXVKZJTB-UHFFFAOYSA-N 360.461 3.547 0 40 FHAB O=c1oc(-c2cc(-c3ccccc3)nc3ccccc23)nn1CN1CCCC1 1717608 WQPJFPNKAZOTHR-UHFFFAOYSA-N 372.428 3.772 0 40 FHAB C[C@@H](NC(=O)c1cc(Cl)ccc1-n1cnnn1)c1cc2ccccc2o1 32712909 KJWKPDNCOOOAIG-LLVKDONJSA-N 367.796 3.553 0 40 FHAB CCCn1c2ccccc2c2nnc(S[C@H](C)c3nc(C)no3)nc21 32778402 RDZXZEJVVIBDCI-SNVBAGLBSA-N 354.439 3.934 0 40 FHAB CCc1cc2c(N(Cc3ccc(C(=O)NC)cc3)C3CC3)ncnc2s1 32779235 AFAAVPXGBJFIMB-UHFFFAOYSA-N 366.490 3.782 0 40 FHAB C[C@@H](NC(=O)NCc1ccccc1CN1CCCC1=O)c1ccccc1F 32779671 OHIVERLQHHHUGI-OAHLLOKOSA-N 369.440 3.509 0 40 FHAB Cc1cccc(-n2nnnc2SCC(=O)Nc2c(C)cccc2C)c1C 21498130 IJBOCKBGHFTIKV-UHFFFAOYSA-N 367.478 3.627 0 40 FHAB COc1cc(C(=O)Nc2ccccc2N2CCCC2)cc(OC)c1OC 7107171 XVCIOKLMEVSZSI-UHFFFAOYSA-N 356.422 3.565 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 8040765 ZZEKTNHIHSNLEQ-MRXNPFEDSA-N 354.450 3.849 0 40 FHAB CC[C@@H](C)c1ccc(NC(=O)CCNC(=O)C(C)(C)Br)cc1 8733036 YFWAKTUQLXGDSZ-GFCCVEGCSA-N 369.303 3.818 0 40 FHAB COCCN(CCOC)c1ncnc2cc(-c3ccc(F)cc3)sc12 33012216 BZSQDCBLMHCDDO-UHFFFAOYSA-N 361.442 3.597 0 40 FHAB COc1ccc(CN(C)C(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1OC 20481744 BQLITMGAKHXGKM-CYBMUJFWSA-N 363.841 3.783 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)cc1 2792561 GWRISJYVYHZFIH-UHFFFAOYSA-N 361.854 3.694 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1Cl 9337150 LKTZFYMBFNTIMS-UXBLZVDNSA-N 370.836 3.893 0 40 FHAB Cc1cccnc1NC(=O)CSc1c(C)nn(-c2ccccc2)c1C 9753007 RGMWHFVQLIWFRR-UHFFFAOYSA-N 352.463 3.923 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(CC)cc2)C1 831388 NFBBQBRWJLVAHB-MRXNPFEDSA-N 352.434 3.639 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)o2)c(OC)c1 929430 UWGPHIAJABTMOC-UHFFFAOYSA-N 374.393 3.868 0 40 FHAB COc1ccc(-c2noc(CCC(=O)N3c4ccccc4C[C@H]3C)n2)cc1 54563039 ULXQCLAMEAYQIN-CQSZACIVSA-N 363.417 3.656 0 40 FHAB Cc1ccc(C)c(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)c1 955256 DOAXCHGTTUFDJI-UHFFFAOYSA-N 354.837 3.777 0 40 FHAB O=C(C[C@@H]1C(=O)N(C2CCCC2)c2nc3ccccc3n21)Nc1ccccc1 23382325 GUZQJGOCPXDJJR-LJQANCHMSA-N 374.444 3.895 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(OC)c1 20049840 VPTGONRTJBIYTP-GJZGRUSLSA-N 370.449 3.630 0 40 FHAB Cc1ccc(-c2noc(CSCC(=O)NCc3ccc(F)cc3)n2)cc1 28908168 ZLUCNQUGGGPCRE-UHFFFAOYSA-N 371.437 3.734 0 40 FHAB COc1ccc(-c2nc3ccccc3c(=O)n2OCc2ccccc2)cc1 24835424 WMUXKRPSKBJUHY-UHFFFAOYSA-N 358.397 3.701 0 40 FHAB Cc1nc(C2(NC(=O)c3ccc(OC(F)F)cc3)CCCCC2)no1 24865348 ZMMJWBWCIGINGJ-UHFFFAOYSA-N 351.353 3.569 0 40 FHAB COc1ccc(CNC(=O)c2csc(Cc3ccc(OC)cc3)n2)cc1 1384043 ZYKZQSHCSKHOGN-UHFFFAOYSA-N 368.458 3.681 0 40 FHAB Cc1nn(C(C)C)c(C)c1CN1CCCN(Cc2cccc(F)c2)CC1 22916203 ADKGOSPMCMBYGO-UHFFFAOYSA-N 358.505 3.928 0 40 FHAB Cc1nc(CSc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cs1 24983770 CYHIFJICKKBHRM-STQMWFEESA-N 362.520 3.993 0 40 FHAB O=C(Nc1ccc(-n2ccnc2)nc1)c1cc(F)c(Cl)cc1Cl 24903065 SLDWAOFXXTYDBI-UHFFFAOYSA-N 351.168 3.966 0 40 FHAB Cc1cc2occ(CC(=O)NCC(C)(C)N3CCOCC3)c2cc1C(C)C 25377158 UKSPMNDIDHNTBP-UHFFFAOYSA-N 372.509 3.634 0 40 FHAB Cc1ncsc1C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 56274695 UFQYMUGWXQAYEY-LBPRGKRZSA-N 352.843 3.915 0 40 FHAB C[C@H](c1cccs1)N(C)CN1C(=O)C(=O)c2c(Cl)ccc(F)c21 26554421 BBLDILOLQKWDPV-SECBINFHSA-N 352.818 3.720 0 40 FHAB O=C(c1cccs1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 12620755 SCENFGPXESWLML-UHFFFAOYSA-N 369.273 3.653 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(OC(F)(F)F)cc1 10753670 KSXMVEHZZQCSNW-UHFFFAOYSA-N 353.296 3.885 0 40 FHAB COc1ccc([C@H](c2c(C)[nH]c3ccccc23)N2CCOCC2)cc1OC 24171413 VZUIZQHKXGLTMH-JOCHJYFZSA-N 366.461 3.915 0 40 FHAB COc1ccc(-c2nonc2NC(=O)COc2cc(C)cc(C)c2)cc1C 27664358 JQXAIDDGHVFJTJ-UHFFFAOYSA-N 367.405 3.688 0 40 FHAB CCc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1ccccc1Cl 3358122 BEBUWZMNYATGOT-UHFFFAOYSA-N 373.884 3.720 0 40 FHAB CCOC(=O)c1c(NC(=S)NC(=O)CC(C)C)sc2c1CCCC2 2134231 KVNGYMQVPCSMAA-UHFFFAOYSA-N 368.524 3.663 0 40 FHAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccs3)o2)cc1 3382422 KDRMHLMBXHCZNF-UHFFFAOYSA-N 359.432 3.732 0 40 FHAB O=S(=O)(c1ccccc1OC(F)(F)F)N(Cc1ccccc1)C1CC1 24443820 LQHHHPKWTXGVBZ-UHFFFAOYSA-N 371.380 3.939 0 40 FHAB CC(C)Cc1nc2sc3c(N4CCOCC4)ncnc3c2c2c1CCC2 2222673 LRBCYCRBKCJNRR-UHFFFAOYSA-N 368.506 3.763 0 40 FHAB O=C(CSc1nc(-c2ccccc2)c[nH]1)Nc1ccc2c(c1)OCCO2 12779331 HHTMGVAFTLBITK-UHFFFAOYSA-N 367.430 3.579 0 40 FHAB Cc1nnnn1-c1cccc(NC(=O)N[C@@H](C)c2ccccc2Cl)c1 45689585 QIPAZRRRONFIRC-NSHDSACASA-N 356.817 3.507 0 40 FHAB Cc1nc(-c2ccccn2)sc1C(=O)NC[C@@H](O)c1cccc(Cl)c1 48342272 CJERVYBUDCAPPI-OAHLLOKOSA-N 373.865 3.630 0 40 FHAB CC(C)(C)C(=O)NCCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 12814359 LMGBZMACCYYQET-UHFFFAOYSA-N 367.421 3.579 0 40 FHAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cccs2)o1 3475040 HCIVPNBPVVRYCV-UHFFFAOYSA-N 361.448 3.846 0 40 FHAB Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 69350385 IMULRNUNZUBZMV-GUYCJALGSA-N 370.449 3.920 0 40 FHAB CC[C@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(S)nnc23)cc1 13142374 VYKRXNSTDHIOKN-LBPRGKRZSA-N 350.447 3.836 0 40 FHAB COc1ccccc1NCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 4045552 XQZZCTHMYBHUBL-UHFFFAOYSA-N 351.189 3.668 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(-c2cccnc2)on1 49621303 NYJDAGVMUJFFPZ-UHFFFAOYSA-N 359.389 3.791 0 40 FHAB Cc1ccc(-n2cnnc2SCC(=O)N(C)c2ccccc2)c(C)c1 6106231 GPWZGSCZIYUHSD-UHFFFAOYSA-N 352.463 3.639 0 40 FHAB CCc1noc(C2(NC(=O)c3nccc4ccccc34)CCCCC2)n1 65257760 FFNMQKYDELHJII-UHFFFAOYSA-N 350.422 3.770 0 40 FHAB COc1cc2[nH]c(C(=O)NCCC3=CCCCC3)cc2c(OC)c1OC 5266623 QNYULKVYINJZJJ-UHFFFAOYSA-N 358.438 3.814 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)n[nH]2)c1 5209444 NAQHBFLHFIVSFE-CYBMUJFWSA-N 366.446 3.794 0 40 FHAB O=C(NCCCCCCNC(=O)N1CCCCCC1)N1CCCCCC1 4427648 IGZGVRDJXPLNPF-UHFFFAOYSA-N 366.550 3.718 0 40 FHAB CC[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 65565151 NFZBFKOYJYIYNW-MRXNPFEDSA-N 361.825 3.758 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c(C)c1 5329276 HMKIJECEVAKQOD-UHFFFAOYSA-N 358.463 3.539 0 40 FHAB C[C@H](OC(=O)CCSc1ccc(F)cc1)c1nc2ccccc2c(=O)[nH]1 5354855 KMQHTWYDZXNMPW-LBPRGKRZSA-N 372.421 3.849 0 40 FHAB COc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)CCC3)cc1OC 14198101 PZOQLOISKDCPAY-UHFFFAOYSA-N 353.418 3.794 0 40 FHAB C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)NC1CCCCC1 14117920 DNGRZTXMZLRPRZ-NSHDSACASA-N 366.512 3.673 0 40 FHAB Cc1ccc(C)c(NC(=O)CCCC(=O)OCC(=O)c2ccc(F)cc2)c1 4544018 OYBCWRUHPRTEJO-UHFFFAOYSA-N 371.408 3.977 0 40 FHAB O=C(CCc1nc(-c2ccsc2)no1)Nc1nc2ccccc2s1 14253818 HVPCDESLDWRKFX-UHFFFAOYSA-N 356.432 3.979 0 40 FHAB CCCNC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 8720304 CHUGRMWZVAZTOA-UHFFFAOYSA-N 370.453 3.692 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)c1C 8745244 RTPBUFCOCFXFSL-MRXNPFEDSA-N 361.873 3.520 0 40 FHAB O=S(=O)(N[C@H]1CCSc2ccc(F)cc21)c1cc(F)ccc1F 15360057 UQJZQHVNDYKZHZ-ZDUSSCGKSA-N 359.394 3.619 0 40 FHAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)ccc1O 7113240 BUNVQONNCVSGCN-OAHLLOKOSA-N 352.312 3.530 0 40 FHAB CCc1oc2ccccc2c1/C=C/C(=O)Nc1ccc(-n2cnnn2)cc1 15607888 NPXTWGJAMFTWRA-VAWYXSNFSA-N 359.389 3.623 0 40 FHAB CC(C)CCOc1cccc(C(=O)NC(=S)Nc2ccccc2O)c1 7498399 ORWFUKPAYOXUMR-UHFFFAOYSA-N 358.463 3.944 0 40 FHAB C[C@@H](NCc1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(F)(F)F)cc1 9884983 VZYOPRQPUORBGF-LLVKDONJSA-N 366.339 3.551 0 40 FHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1CCN(c2ccc(F)cc2)CC1 20049536 INTXIPLHBQOSJG-NRFANRHFSA-N 370.468 3.949 0 40 FHAB CCc1ccc(O)c(C(=O)c2cnc3c(c2)CN(CCC(C)C)C(=O)N3)c1 9644587 ZWNSRPVOTBOCHR-UHFFFAOYSA-N 367.449 3.974 0 40 FHAB CCOc1ccc(OCC(=O)Nc2ccc(Br)c(C)n2)cc1 72305644 YADKLGSXNABJAT-UHFFFAOYSA-N 365.227 3.569 0 40 FHAB Cc1ccccc1CS(=O)(=O)Nc1nnc(CC2CCCCC2)s1 95995777 GDOKJRFFGGDEMB-UHFFFAOYSA-N 365.524 3.911 0 40 FHAB C[C@@H]1CN(Cc2ccccc2CNCc2c[nH]nc2C(C)(C)C)C[C@@H](C)O1 79922969 ZQWQCXLRNNZLLR-IAGOWNOFSA-N 370.541 3.606 0 40 FHAB CC(C)[C@@H](Sc1nncn1C(C)C)C(=O)N[C@@H]1CCOc2ccccc21 89791031 CLXVRVLUVPDLPD-NVXWUHKLSA-N 374.510 3.616 0 40 FHAB O=C(Nc1ccc(-n2cccn2)cc1)c1ccc(Cn2cc(Cl)cn2)o1 28244364 CHESWCXOLMHSLX-UHFFFAOYSA-N 367.796 3.616 0 40 FHAB CC(C)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 408709082 XBGQYKSHDORRNM-QGZVFWFLSA-N 354.425 3.618 0 40 FHAB COc1cc(NC(=O)[C@@H](NC(=O)C2CCC(C)CC2)C(C)C)ccc1C 1505840681 PFSVEUHWDDFBTL-KJXMEXGPSA-N 360.498 3.909 0 40 FHAB CCc1ccccc1NC(=O)CSc1nc(O)c2c(C)csc2n1 408596160 PLWWMNJKHWZCST-UHFFFAOYSA-N 359.476 3.999 0 40 FHAB Cc1ccccc1CN1CCCN(CCC(=O)Nc2ccccc2)CC1 30154172 YUISMGVVDAUDJZ-UHFFFAOYSA-N 351.494 3.532 0 40 FHAB Cc1nc2cc(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)ccc2[nH]1 79473744 VIVOLHJIOZGVQV-UHFFFAOYSA-N 369.852 3.649 0 40 FHAB Cc1noc2nc([C@H]3CCCN(C(=O)[C@H]4C[C@@H]4C)C3)cc(C(F)(F)F)c12 72341461 RPBFQADZXMQREJ-DLOVCJGASA-N 367.371 3.912 0 40 FHAB Cc1cc(C)c2cc3c(nc2c1)OCC(=O)N(Cc1ccc(F)cc1)C3 72341551 DZUPXTHRYAIQCD-UHFFFAOYSA-N 350.393 3.912 0 40 FHAB CCOC(=O)C1CCN(C(=O)[C@H](CC)Oc2cccc3ccccc23)CC1 30862978 SEIKICXCFSSENS-IBGZPJMESA-N 369.461 3.799 0 40 FHAB Brc1ccc(-c2nn3c(-c4cccnc4)nnc3s2)s1 61718034 VDOIJFUSRGLFHZ-UHFFFAOYSA-N 364.253 3.739 0 40 FHAB COCc1ccc(CN2CCC[C@@H](c3nnsc3-c3cc(C)no3)C2)o1 72396702 ZAQLWJDCGYHEKV-CYBMUJFWSA-N 374.466 3.621 0 40 FHAB COc1ccc(CN2C[C@H](c3nc4cc(Cl)ccc4[nH]3)CC2=O)cc1 76556415 GQVLQXOLRYJSRF-CYBMUJFWSA-N 355.825 3.741 0 40 FHAB Cc1ccccc1-c1noc(CSCC(=O)N[C@@H]2CCCC[C@H]2C)n1 45025146 AQVPEAOWIIWOSJ-GDBMZVCRSA-N 359.495 3.973 0 40 FHAB COc1cccc(O[C@H](C)C(=O)NCCOc2ccc3ccccc3c2)c1 223621850 UJLOVAOVCYHCMI-MRXNPFEDSA-N 365.429 3.811 0 40 FHAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl 222391611 GLEXQFKNZUUWLK-MRXNPFEDSA-N 372.896 3.744 0 40 FHAB COc1ccccc1CNC(=O)CCc1nc(-c2cccc(Cl)c2)no1 41184837 FNRIHPZTFVLSKB-UHFFFAOYSA-N 371.824 3.648 0 40 FHAB CCCOc1ccc(C(=O)Nc2nnc(-c3sc(C)nc3C)o2)cc1 41097801 KBIXPCXYRVYTDE-UHFFFAOYSA-N 358.423 3.851 0 40 FHAB CC(C)CNC(=S)Nc1nc(Cl)cc(N2C[C@@H](C)C[C@H](C)C2)n1 225893435 GFSZMCPSYLTQTO-RYUDHWBXSA-N 355.939 3.555 0 40 FHAB O=C(NCc1csc2ccccc12)NC[C@@H]1COc2ccccc2O1 60975781 VXXFTWBIYVMRKI-CQSZACIVSA-N 354.431 3.541 0 40 FHAB COc1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)c(OC)c1OC 45202998 SZWQTXUFKNQOTA-UHFFFAOYSA-N 357.450 3.940 0 40 FHAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCC2=CCCCC2)c1 225102255 JYLKFGVRTAAXKC-ZHZULCJRSA-N 364.445 3.976 0 40 FHAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccco1 224553444 GUDTXKGKFKZVGH-ROUUACIJSA-N 351.431 3.860 0 40 FHAB CCc1ccccc1O[C@H](C)C(=O)NCc1ccccc1CN1CCCC1 224787071 BBLIVHWBMKBSFV-GOSISDBHSA-N 366.505 3.929 0 40 FHAB Cn1nc(-c2ccsc2)cc1NC(=O)c1cc2c(nc1O)CCCCC2 330163036 AQXSOKLWOARMCT-UHFFFAOYSA-N 368.462 3.770 0 40 FHAB COc1ccc([C@@H](NC(=O)Nc2ccc3c(C)n(C)nc3c2)C2CC2)cn1 529101923 DTFTUXUIZFBFHL-IBGZPJMESA-N 365.437 3.558 0 40 FHAB COC[C@H]1CN(Cc2cccs2)CC12CCN(Cc1ccncc1)CC2 247847014 NGVYBXXYVAWOFM-LJQANCHMSA-N 371.550 3.504 0 40 FHAB Cc1ccsc1CN1CCC(c2nccnc2-c2cncn2C)CC1 257254153 KBWUKBYDXCUZHI-UHFFFAOYSA-N 353.495 3.627 0 40 FHAB C[C@@H](NC(=O)Nc1cc([C@@H]2CCCO2)nn1C)c1ccc(F)c(Cl)c1 279029255 PWVGUXGLJSIWHV-BMIGLBTASA-N 366.824 3.947 0 40 FHAB C[C@@H](NC(=O)N1CCC[C@@H](n2ccnc2)C1)c1ccc(F)cc1Cl 605981453 PFCUTIDPNAFIBX-TZMCWYRMSA-N 350.825 3.783 0 40 FHAB CC(C)n1ncc2cc(NC(=O)NCCc3ccc4c[nH]nc4c3)ccc21 671509579 IMCCYRFYKHIVNQ-UHFFFAOYSA-N 362.437 3.858 0 40 FHAB COc1ccc(-c2noc(-c3ccc4c(c3)NC(=O)[C@H](C)S4)n2)cc1 109530787 OXHKQEPOWVOFRJ-JTQLQIEISA-N 353.403 3.845 0 40 FHAB CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)c1ccnc2c1CC(=O)N2 615373945 JYCZCQRMDXJVMZ-FQEVSTJZSA-N 371.868 3.617 0 40 FHAB O=C(C1=CCCC1)N1Cc2cccn2C[C@H](CCOc2ncccc2F)C1 585095561 XIUXTHKWXMOJDV-INIZCTEOSA-N 369.440 3.560 0 40 FHAB CC(=O)Nc1nc(COC(=O)C2(c3cc(C)cc(C)c3)CCC2)cs1 53916363 ZCNKJEDIPXROSS-UHFFFAOYSA-N 358.463 3.883 0 40 FHAB COc1cc(Br)cc(C)c1NC(=O)N1C[C@@H](C)OC(C)(C)C1 68652529 OHUAKMZNSQWYKN-LLVKDONJSA-N 371.275 3.797 0 40 FHAB CC1(C)C[C@]2(CCCN2C(=O)c2cncc(O)c2)CN1c1cccc(F)c1 1615128836 WEPBMKQFGFOUAJ-OAQYLSRUSA-N 369.440 3.590 0 40 FHAB Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1C 12293495 TVUCETDCRVUAOQ-LEWJYISDSA-N 367.489 3.688 0 40 FHAB CCn1c(C)c(C(C)=O)c2cc(OC[C@@H](O)CNC3CCCCC3)ccc21 12421962 YDVLWGQVXVQCMC-SFHVURJKSA-N 372.509 3.834 0 40 FHAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccc(OC(F)F)cc1 14898964 SHAHJQWRORDQAR-CYBMUJFWSA-N 360.360 3.818 0 40 FHAB C[C@@H](NC(=O)CNCCOc1ccccc1F)c1ccc2ccccc2c1 16695439 JBLMWGNQJJQDNU-MRXNPFEDSA-N 366.436 3.825 0 40 FHAB Cc1ccc(-c2nnc(C3CCN(C(=O)C4CCCCC4)CC3)o2)cn1 19215216 WOABOBVJFLYUCE-UHFFFAOYSA-N 354.454 3.726 0 40 FHAB COc1cccc(CN2CCO[C@@H](c3cc4ccccc4cn3)C2)c1OC 19568011 COADAJGUGFIRAX-OAQYLSRUSA-N 364.445 3.826 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(Cn4cccn4)c3)cc2)n1 19659975 JILSWBSZIPUIHT-UHFFFAOYSA-N 371.444 3.986 0 40 FHAB Cn1cccc1[C@H](CNC(=O)c1ccccc1C(F)(F)F)N1CCCC1 11845609 MWXMQYRKURBNDI-KRWDZBQOSA-N 365.399 3.611 0 40 FHAB O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 25145167 IQPXHMCCMYRDES-SUNKGSAMSA-N 372.412 3.727 0 40 FHAB COC(=O)c1cc(NC(=O)c2cc(C)nc3ccccc23)c(F)cc1F 30820619 OAWNFBZDICPECO-UHFFFAOYSA-N 356.328 3.860 0 40 FHAB CC[C@H](C(=O)NCCc1cc2ccc(C)c(C)c2[nH]c1=O)c1ccccc1 3911893 YOUNCGYQRVPRAW-FQEVSTJZSA-N 362.473 3.997 0 40 FHAB COc1ccc2cc(CCNC(=O)c3ccc4ccccc4c3)c(=O)[nH]c2c1 4032881 PRWWCWVJRJJPBR-UHFFFAOYSA-N 372.424 3.662 0 40 FHAB Cc1ccc(C(=O)N2CCC(n3nc(C(C)(C)C)ccc3=O)CC2)cc1C 1775967820 BBIFYHZXSCFQTG-UHFFFAOYSA-N 367.493 3.635 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(-c2ccsc2)o1 575610067 JWBZUXKOXTWDLR-UHFFFAOYSA-N 351.424 3.934 0 40 FHAB COc1cc(CNCCN(C)C)cc(Cl)c1OCc1ccc(F)cc1 20019071 CWZLEAGNKTWBGO-UHFFFAOYSA-N 366.864 3.718 0 40 FHAB O[C@@H](CSc1ccc(Cl)cc1)CN1CCN(c2ccccc2)CC1 20384881 XIJKFIJDIBBJJH-GOSISDBHSA-N 362.926 3.615 0 40 FHAB C[C@H](Nc1nc2ccccc2n1C)c1cc(F)ccc1N1CCC(O)CC1 91482100 ANVOKKAEWYYZCU-AWEZNQCLSA-N 368.456 3.847 0 40 FHAB COc1ccc([C@H](NS(=O)(=O)c2cccc(F)c2)c2ccccc2)cc1 8389964 FSOIFZBVXRMKCH-HXUWFJFHSA-N 371.433 3.902 0 40 FHAB COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccccc1F 8378563 NPOBFGKAOMRRJY-SFHVURJKSA-N 367.376 3.514 0 40 FHAB COc1cc(NC(=O)c2cc(F)c(F)cc2Cl)cc(OC)c1OC 2647431 KWEGHWGPCBFHHR-UHFFFAOYSA-N 357.740 3.896 0 40 FHAB Cc1ccc(N[C@@H]2SC(=O)N(Cc3cccc(C(=O)O)c3)C2=O)c(C)c1 1018905 KZDBISQQFGPXMJ-MRXNPFEDSA-N 370.430 3.635 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(C)c2)cc1 1343064 WIPXNJLLHZWUDM-LJQANCHMSA-N 365.433 3.833 0 40 FHAB Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)NCCC2=CCCCC2)cc1 1359158 CTORSSJQZNSUNI-IBGZPJMESA-N 355.482 3.998 0 40 FHAB Cc1ccc(NC(=O)COC(=O)c2sccc2C)c(Br)c1 3384331 QXFWYEWWOYDCRN-UHFFFAOYSA-N 368.252 3.923 0 40 FHAB Cc1nnc2sc(-c3ccccc3NC(=O)c3cccc(F)c3)nn12 21596042 WLNBDHWHLZEOBS-UHFFFAOYSA-N 353.382 3.553 0 40 FHAB Cc1nc2ccc(C(=O)Nc3ccc(N4CCCCC4)nc3)cc2nc1C 32883894 RHDVOMIBPIAQCX-UHFFFAOYSA-N 361.449 3.884 0 40 FHAB Cc1ccc(Cn2nc(C)c(C(=O)OCC(=O)c3ccc[nH]3)c2Cl)cc1 4779109 CPNFUEKLUALESR-UHFFFAOYSA-N 371.824 3.569 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(C)cc2)cc1 7105422 BCOQWBXYTVLLIU-UHFFFAOYSA-N 352.463 3.923 0 40 FHAB CCN(CC)CCOc1ccc(CNC(=O)CCc2ccccc2F)cc1 32926659 GPJYZMYOIZIDRD-UHFFFAOYSA-N 372.484 3.795 0 40 FHAB COc1ccc(OCC(=O)Nc2ccc(Br)cc2C)cc1 2774522 TZLKLNFQKZGABN-UHFFFAOYSA-N 350.212 3.784 0 40 FHAB COC(=O)c1cccc(NC(=O)c2ccc(COCC(F)(F)F)cc2)c1 22143712 PFKDYVMIEQVSAQ-UHFFFAOYSA-N 367.323 3.804 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)CN(C)Cc2ccccc2Cl)c1C 58146128 BONAMMDORYRQQP-UHFFFAOYSA-N 362.857 3.776 0 40 FHAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cnsn1 47410905 SBDLKUVPOXXIIK-UHFFFAOYSA-N 356.373 3.800 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1nccs1 104021546 SKTCNBRMKPUGHR-VNQPRFMTSA-N 369.490 3.866 0 40 FHAB CCC1=NN(C(=O)c2ccc(Br)cc2)[C@@](O)(c2ccccc2)C1 827431 YLCRFCDISJJJSZ-SFHVURJKSA-N 373.250 3.906 0 40 FHAB Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3ccccc3)s2)n1 818843 LHMBJRUBDQYYSV-UHFFFAOYSA-N 370.503 3.872 0 40 FHAB in-vitro S=C(NNc1ncnc2sc3c(c12)CCCC3)Nc1ccccc1 3066454 JZHKKWVKOSJZBL-UHFFFAOYSA-N 355.492 3.884 0 40 FHAB O=C(Nc1cccc(N2CCOC2=O)c1)c1cc(-c2ccccc2F)on1 47528926 XDGIMSXUYJZFFR-UHFFFAOYSA-N 367.336 3.690 0 40 FHAB CN1CCC2(CC1)C[C@H](NC(=O)Nc1ccccc1)c1ccccc1O2 23186875 UHNKEVXXKGQPHH-SFHVURJKSA-N 351.450 3.796 0 40 FHAB CCn1nnc2cc(C(=O)Nc3nc(C)c(-c4ccccn4)s3)ccc21 23498687 XGCHLKJZRACGKS-UHFFFAOYSA-N 364.434 3.530 0 40 FHAB Cc1cc(C)c(OCC(=O)O[C@H](C)C(=O)N2CCc3ccccc32)c(C)c1 23074578 FSSSZCLIECBVJF-QGZVFWFLSA-N 367.445 3.512 0 40 FHAB CC[C@H](C)c1ccc(N[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 12527837 XKOGVQMKFLITQL-QWHCGFSZSA-N 352.438 3.809 0 40 FHAB C[C@H]1N=C(c2ccc(I)cc2)[C@H]2[C@@H](c3ccccc3)N12 20601914 CPXNFDWHWPLKFR-NRQBADKHSA-N 374.225 3.865 0 40 FHAB CN(Cc1ccc(Cl)cc1Cl)C(=O)CNC(=O)C1CCCCC1 17967767 SHXBXRWGFQDILR-UHFFFAOYSA-N 357.281 3.648 0 40 FHAB O=C(O)COc1ccccc1[C@H]1Nc2ccccc2C(=O)N1c1ccccc1 12542122 XLUONPJNQGATDJ-NRFANRHFSA-N 374.396 3.921 0 40 FHAB CCCOc1cccc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1 75613098 TZOPCYUUTCWWII-QGZVFWFLSA-N 364.486 3.755 0 40 FHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 24597270 XJSPYOGDFPYAQZ-ROUUACIJSA-N 354.425 3.643 0 40 FHAB CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC)c(OC)c1)OC(=O)C2 1322383 SYDVWEJWGRBYBY-NRFANRHFSA-N 372.417 3.690 0 40 FHAB biogenic CCCc1ccc(-c2nc(NC(=O)c3ccc(O)nn3)sc2C)cc1 24977383 KRDBXUQJJGJODY-UHFFFAOYSA-N 354.435 3.819 0 40 FHAB O=C(/C=C/c1ccc(Cl)s1)N1CCC[C@@H]1c1nnc2ccccn12 25065249 CPDDNWVFORPPBL-BUUCAEBMSA-N 358.854 3.821 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCN(c2ccc(O)cc2)CC1 34870164 LFTCYUNLSBWJCE-MRXNPFEDSA-N 363.461 3.575 0 40 FHAB Cc1ccc(NC(=O)Cc2nc3sc4ccccc4c3c(=O)[nH]2)c(C)c1 77251864 JXKVTDSXDXZZGP-UHFFFAOYSA-N 363.442 3.936 0 40 FHAB Brc1ccc2c(c1)[C@@H]1C[C@](C3CC3)(N=C3SCCN31)O2 101090365 PUDAPTHGMDVUBR-WFASDCNBSA-N 351.269 3.797 0 40 FHAB Cc1noc([C@@H](C)Sc2nc(-c3ccccc3Br)n[nH]2)n1 43695365 XIEYMBJAZLBBSF-SSDOTTSWSA-N 366.244 3.779 0 40 FHAB CC(C)(C)C(=O)NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20151427 ZDDBUDADPUMCGM-UHFFFAOYSA-N 366.870 3.951 0 40 FHAB CC(C)n1ncc2cc(C(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)cnc21 25145530 BRGQXCIHLZUDDR-KBPBESRZSA-N 354.376 3.863 0 40 FHAB COc1ccc(NC(=O)CCCn2c(=O)oc3ccccc32)cc1Cl 3327711 QARCIGORWJYHMY-UHFFFAOYSA-N 360.797 3.675 0 40 FHAB CCC[C@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccccc1 12780193 FBUPRFQARFFNHE-IBGZPJMESA-N 364.445 3.607 0 40 FHAB CCCOc1ccccc1OCC(=O)Nc1cnc2c(cnn2C(C)C)c1 12775765 GDZLMYYIDNOLEG-UHFFFAOYSA-N 368.437 3.819 0 40 FHAB Cc1ccccc1O[C@@H](C)C(=O)N(C)Cc1nc(-c2cccs2)no1 28188974 NFVOFDCEAUBVSC-ZDUSSCGKSA-N 357.435 3.532 0 40 FHAB Cc1cc(Cl)ccc1OC(=O)CCCNC(=O)NC1CCCCC1 58788763 JSELAORWLWLBRH-UHFFFAOYSA-N 352.862 3.966 0 40 FHAB Cc1cccc(N(CC(=O)O)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 113873904 XBLJXFSNQYZTFL-UHFFFAOYSA-N 374.245 3.582 0 40 FHAB Cc1c(Cl)cccc1NC(=O)CSc1nnc([C@@H](N)CC(C)C)o1 2359007 PMAWGKPORPRZLO-LBPRGKRZSA-N 368.890 3.808 0 40 FHAB CC(C)CC(=O)N1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1 12750945 NWWXWCHTNKFWLB-UHFFFAOYSA-N 365.477 3.761 0 40 FHAB CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 48383412 RFIANPRPAQBFND-UHFFFAOYSA-N 371.462 3.799 0 40 FHAB O=C(OCc1ccccc1)c1ccccc1Cc1nc2ccccc2c(=O)[nH]1 28113941 FUMGNHOEPGNASY-UHFFFAOYSA-N 370.408 3.871 0 40 FHAB CC(C)[C@@H](NC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1cccs1 12971621 GPJNMEPBSLSRGD-GOSISDBHSA-N 356.447 3.529 0 40 FHAB CCc1cccc(N2C[C@@H](C(=O)N[C@H](C)c3cccc(F)c3)CC2=O)c1 12921559 CFCCTFBHJNCKHO-PBHICJAKSA-N 354.425 3.618 0 40 FHAB COC(=O)c1ccc(CN2CCC[C@@H]2c2ccc(OC)cc2OC)cc1 13003985 YWZMSBJISUUFLK-LJQANCHMSA-N 355.434 3.828 0 40 FHAB O=C(NC(=S)Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccco1 4082381 RFXSQASGUWSISZ-UHFFFAOYSA-N 362.414 3.950 0 40 FHAB CCc1c(C)c2ccc(OCC(=O)c3ccc(OC)cc3)cc2oc1=O 4043188 OIMVTFVACGSAIG-UHFFFAOYSA-N 352.386 3.934 0 40 FHAB biogenic CC(=O)NCc1ccc(C(=O)COc2cc(Cl)ccc2Cl)cc1 8536756 NYMPGZOETVTZCF-UHFFFAOYSA-N 352.217 3.891 0 40 FHAB O=C(COc1ccc(Cl)cc1Cl)c1c[nH]c(C(=O)N2CCCC2)c1 8536811 JLZZEKUMMUPEIU-UHFFFAOYSA-N 367.232 3.819 0 40 FHAB CCSc1ccccc1NC(=O)c1cccc(CN2CCOCC2)c1 20452771 PIDYIAKEIUSBIU-UHFFFAOYSA-N 356.491 3.883 0 40 FHAB Cc1csc(NC(=O)C2CCC(CNC(=O)OC(C)(C)C)CC2)n1 13691969 RPIIAUVOHMBVBC-UHFFFAOYSA-N 353.488 3.721 0 40 FHAB CCCN1C(=O)/C(=C\c2ccc(OCC(=O)OC)cc2)c2ccccc21 409118950 VJJUAKOZDILIHG-AQTBWJFISA-N 351.402 3.536 0 40 FHAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc2ccccc2oc1=O)CC3 25543734 WHVXTDCYMFOFKX-UHFFFAOYSA-N 358.397 3.781 0 40 FHAB COc1ccc(OC)c([C@H]2CCCN2Cn2nc3ccccn3c2=S)c1 14121051 IFBPHAMBQBWKLJ-MRXNPFEDSA-N 370.478 3.677 0 40 FHAB CN(C)C(=O)[C@@H]1CCCN1c1ncnc2scc(-c3ccc(F)cc3)c12 14197784 QHXBPXOCYMMHAF-HNNXBMFYSA-N 370.453 3.554 0 40 FHAB C[C@H]1CCCN(Cc2csc(NC(=O)COc3cccc(F)c3)n2)C1 14183709 WZLOFPUDMJRKNX-ZDUSSCGKSA-N 363.458 3.532 0 40 FHAB Cc1n[nH]c(C)c1CC(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 6583482 UYQOXVCKNKVEMR-HXUWFJFHSA-N 373.460 3.546 0 40 FHAB C[C@@H](OC(=O)c1cccc(Cl)c1N)C(=O)Nc1ccccc1Cl 18405920 YWDGLKKHFKCQMM-SECBINFHSA-N 353.205 3.760 0 40 FHAB C[C@@H](OC(=O)[C@H]1CSCN1C(=O)C1CCC1)c1ccc(Cl)s1 92487333 MVDUXZFYXORYND-MWLCHTKSSA-N 359.900 3.707 0 40 FHAB Cc1ccccc1CSCC(=O)NCc1ccc(-n2ccnc2)cc1 20042990 ODXWRSKQRDHBRD-UHFFFAOYSA-N 351.475 3.730 0 40 FHAB CC(C)Cc1ccc([C@H](C)NC(=O)CCNC(=O)c2ccccc2)cc1 6602760 SNHKNULPDWSDGV-KRWDZBQOSA-N 352.478 3.882 0 40 FHAB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)cc1 6784419 QWYVCLZOFADHKF-NRFANRHFSA-N 372.534 3.891 0 40 FHAB C[C@H]1CCc2sc(C(=O)OCC(=O)c3ccc4c(c3)OCO4)cc2C1 5773060 QPMPCHDKRNVMBA-NSHDSACASA-N 358.415 3.641 0 40 FHAB CCCCc1ccc(-n2nnnc2SCc2cn3ccccc3n2)cc1 4864589 RCGYZCCGPZKMBD-UHFFFAOYSA-N 364.478 3.945 0 40 FHAB Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)n1 7048029 GFQZTQFSZHCJGU-VIFPVBQESA-N 356.373 3.505 0 40 FHAB Cc1ccccc1-c1noc(CN(C)CC(=O)Nc2ccccc2Cl)n1 15448846 HNELBYJDOAJDKB-UHFFFAOYSA-N 370.840 3.769 0 40 FHAB Cc1ccc(Cl)c(OC(=O)/C=C/c2cn(Cc3ccccc3)nn2)c1 15607494 YIVSPMNBTXFQFV-CSKARUKUSA-N 353.809 3.907 0 40 FHAB COc1cc(COC(=O)c2[nH]c(C)c(C(C)=O)c2C)ccc1OC(F)F 7387280 UDRBNDHSKITIHX-UHFFFAOYSA-N 367.348 3.801 0 40 FHAB C[C@@H](NC(=O)CSc1nnc(NC2CC2)s1)c1cc2ccccc2o1 7535473 ODNIXEHKJZGVFX-SNVBAGLBSA-N 374.491 3.828 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1c2ccccc2C[C@H]1C 7587509 OLDNHWLXKDSQMX-OAHLLOKOSA-N 360.461 3.879 0 40 FHAB O=C(CN[C@H]1CCCc2ccccc21)N(Cc1ccco1)CC(F)(F)F 16046923 LRZQMUWERGCEIB-KRWDZBQOSA-N 366.383 3.838 0 40 FHAB CC(=O)Nc1cccc(C(=O)OCc2c(F)c(F)c(F)c(F)c2F)c1 7706984 SPNAVUNNUZASGL-UHFFFAOYSA-N 359.250 3.698 0 40 FHAB C[C@@H]1Oc2ccccc2N(CCC(=O)OCc2cccc(Cl)c2)C1=O 16191445 SOVZDUNXIXQGOX-ZDUSSCGKSA-N 359.809 3.587 0 40 FHAB Cc1ccc(C)n1-c1sccc1C(=O)OCc1ccc(C(N)=O)cc1 16131247 ZPDCHUILAABIKR-UHFFFAOYSA-N 354.431 3.612 0 40 FHAB COc1ccc(CN(C)C(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1F 8072651 BRGGKLATSZAPIJ-GOSISDBHSA-N 373.424 3.664 0 40 FHAB COc1ccc(OC)c([C@H]2CC(O)=Nc3c2cnn3Cc2ccco2)c1 72404623 AOMZHAHIJZMHQM-CQSZACIVSA-N 353.378 3.665 0 40 FHAB O=C(NCC1(c2ccc(Cl)cc2)CCCC1)[C@H]1CCCN1C(=O)C1CC1 98109678 SQZKNXGFJKYLGQ-GOSISDBHSA-N 374.912 3.669 0 40 FHAB CC[C@@](C)(CC(=O)OC)NCC(=O)Nc1ccccc1Oc1ccccc1 75110921 UMVHXRXVVQSSHJ-NRFANRHFSA-N 370.449 3.739 0 40 FHAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NC(C)C)ccc2C)c1 409380445 DOJSGWXWGKIOTC-UHFFFAOYSA-N 360.479 3.551 0 40 FHAB CO[C@H]1CCC[C@@H](OC(=O)Cc2csc(Cc3ccc(F)cc3)n2)C1 68492348 AMCOLWXCKQRQAL-DLBZAZTESA-N 363.454 3.916 0 40 FHAB O=C(NC[C@H]1CCc2cccnc21)c1cc(-n2cccc2)ccc1Cl 1557234161 UFHRZWNWFYNALV-OAHLLOKOSA-N 351.837 3.986 0 40 FHAB Fc1cccc(CN2CC[C@]3(C2)Cn2c(-c4cccs4)cnc2CO3)c1 306135034 OFJYNVBZIDFYAS-FQEVSTJZSA-N 369.465 3.926 0 40 FHAB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OCC 39486046 NYHIXVPNDYUNKH-AQTBWJFISA-N 360.413 3.951 0 40 FHAB CCc1nnc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)s1 35312252 DSPQRGOGZDUVKG-UHFFFAOYSA-N 373.507 3.565 0 40 FHAB O=C(NCc1ccc2ccccc2c1)c1ccc(CN2CCOCC2)cc1 74499213 SXHSQJAVEJNJLW-UHFFFAOYSA-N 360.457 3.602 0 40 FHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1nc(-c2cccs2)no1 219599644 RLQCWEWSOQLOLN-CQSZACIVSA-N 357.435 3.580 0 40 FHAB COC(=O)c1cc(Nc2cc(OC)cc(OC)c2)c2cccc(F)c2n1 38486943 UXEBTRHWBYQCBI-UHFFFAOYSA-N 356.353 3.921 0 40 FHAB CCOc1ccc(NC(=O)Cn2c(=O)cc(C)c3cc(C)cc(C)c32)cc1 32530662 FFEDIPCTRBVGRY-UHFFFAOYSA-N 364.445 3.964 0 40 FHAB COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1O 214357311 OSTJTWRNJGZQIX-CXUHLZMHSA-N 359.378 3.776 0 40 FHAB COc1ccccc1NC(=O)c1ccccc1SCC(=O)N1CCCC1 32975884 NKYLIZBPYDLDBS-UHFFFAOYSA-N 370.474 3.662 0 40 FHAB CCOc1cccc(CNC(=O)c2ccc(-n3nc(C)c(C)c3C)nc2)c1 62007266 OQAOSRAHFZZBLP-UHFFFAOYSA-N 364.449 3.521 0 40 FHAB COC(=O)c1cc(OCc2ccc(C)cc2)c2cc(OC)c(OC)cc2n1 65033507 GRXNBOCRZNJOJF-UHFFFAOYSA-N 367.401 3.926 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Br)cc2F)cc1 49306749 YIHXXYKGPYGBOH-UHFFFAOYSA-N 358.232 3.722 0 40 FHAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 222818477 DUGVFTPLYIFLSJ-RBUKOAKNSA-N 363.490 3.648 0 40 FHAB CCOC(=O)N1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(O)c(OCC)c1 229907484 IJCUOQSFSYMMDY-MOXGXCLJSA-N 363.454 3.616 0 40 FHAB Cc1ccc(-c2nnc(CNC(=O)COc3ccc(C(C)C)cc3)o2)cc1 46085595 KFIAUNFRUYMOCI-UHFFFAOYSA-N 365.433 3.864 0 40 FHAB Cc1ccccc1CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C 222674643 RIGGEZCMPIUMNK-SFHVURJKSA-N 366.505 3.870 0 40 FHAB Nc1cc(C(=O)Nc2ccccc2OC(F)F)ccc1Br 40302432 AGLJZPOFEIWZEM-UHFFFAOYSA-N 357.154 3.885 0 40 FHAB CCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223311794 CBLNDEPLLJQKCJ-WIYYLYMNSA-N 366.505 3.951 0 40 FHAB O=C1CCCN1c1cccc(CNC(=S)Nc2ccc(Cl)cc2)c1 225645877 DQCKIGDDUAGQPD-UHFFFAOYSA-N 359.882 3.953 0 40 FHAB CCc1ccccc1NC(=O)CCNC(=O)c1ccc2oc(Cl)nc2c1 225979159 HJYNKEAIHHNKFU-UHFFFAOYSA-N 371.824 3.802 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C)c1 224193896 XVDHCMXIHAJGKK-HOTGVXAUSA-N 357.450 3.965 0 40 FHAB O=C(Nc1cnn(C2CCOCC2)c1)Nc1ccccc1C(F)(F)F 96104623 FLQLKPZFLDRZNN-UHFFFAOYSA-N 354.332 3.897 0 40 FHAB O=C(Nc1ccc(OC(F)(F)F)c(Cl)c1)N[C@H]1CCc2n[nH]cc2C1 578235632 OKVBRRDAVKGXSK-VIFPVBQESA-N 374.750 3.641 0 40 FHAB CNC(=O)C[C@@H]1CC2(CCN(C(=O)c3cccs3)CC2)c2ccccc21 96241915 TUBAIUKLAJHMIV-OAHLLOKOSA-N 368.502 3.546 0 40 FHAB C[C@H]1C[C@H](C)CN(C(=O)c2csc(Nc3ccc4c(c3)OCO4)n2)C1 96572375 UBMOUBBRNPNZPM-RYUDHWBXSA-N 359.451 3.734 0 40 FHAB Cc1ccc(N2CCC(N(CC(=O)O)Cc3cc(F)cc(F)c3)CC2)cc1 257324603 WPKYUVVCEFEERL-UHFFFAOYSA-N 374.431 3.829 0 40 FHAB Cc1nc(-c2ccc(C(=O)O)cc2)cc([C@H]2CCCN2C(=O)C(C)(C)C)n1 257259791 LAAUHNLOZIINAH-GOSISDBHSA-N 367.449 3.860 0 40 FHAB CCCC(=O)N1CCCC[C@@H]1c1nc(-c2ncccc2OC(C)C)no1 664994197 DOSYCYAQFMSHIA-CQSZACIVSA-N 358.442 3.773 0 40 FHAB O=C(NCC1(Cc2ccc(F)cc2)CC1)N1CCO[C@@H](c2ccco2)C1 678372914 ROELEAXLKWUNFS-GOSISDBHSA-N 358.413 3.525 0 40 FHAB Cc1noc(C)c1CC(=O)NCc1ccc(C(=O)c2ccsc2)s1 96119911 PDJCPEYWZIOZJQ-UHFFFAOYSA-N 360.460 3.504 0 40 FHAB O=C(c1ccc(F)cc1Cl)N1CC(Oc2cccc(C(F)(F)F)n2)C1 575606674 IUXKSMDOAUQJMF-UHFFFAOYSA-N 374.721 3.796 0 40 FHAB Fc1c(CN2CCC(c3nnc4ccccn34)CC2)cccc1OC1CC1 585101687 WINVMIGYTCPEJY-UHFFFAOYSA-N 366.440 3.789 0 40 FHAB COC[C@@H]1CN(Cc2ccsc2)CC12CCN(Cc1ccncc1)CC2 585103225 NQDIHRQDSQUGKS-FQEVSTJZSA-N 371.550 3.504 0 40 FHAB Cc1nc(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)co1 1615127516 QPLBMCFYXXGSHO-FQEVSTJZSA-N 357.429 3.786 0 40 FHAB CC(C)Oc1cccc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)c1 5000725 DOYJICXLXGDJBB-CXUHLZMHSA-N 351.358 3.547 0 40 FHAB Cc1cnc(-c2nc(NCc3ccccn3)ncc2-c2onc(C)c2C)cn1 12088814 OIJQCRLNOOXVIU-UHFFFAOYSA-N 373.420 3.521 0 40 FHAB Cc1cc([C@@H]2c3cc4c(cc3CCN2C(=O)C2CCCCC2)OCO4)on1 12186264 MDQVQHZSBNZJKV-FQEVSTJZSA-N 368.433 3.766 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc2c(c1)C[C@H](C)N2C(C)=O 12204428 SBZQTVQGEUVIPN-ORAYPTAESA-N 370.424 3.919 0 40 FHAB Cc1nc(C)c(C(=O)N2[C@@H]3CC[C@@H](C3)[C@@H]2COc2ccc(F)cc2)s1 12408098 YYWNUSJYMHKMSA-LXZKKBNFSA-N 360.454 3.971 0 40 FHAB Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1Br 12999058 GREAVBSNLHOBRJ-UHFFFAOYSA-N 366.280 3.899 0 40 FHAB COc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccccc2Cl)n1 13495154 JXAPZUAJYWMRTR-LLVKDONJSA-N 357.797 3.890 0 40 FHAB CCc1ccc(NC(=O)[C@@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 13713184 CHALHWPBZLMTJV-LJQANCHMSA-N 374.506 3.741 0 40 FHAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1NC1CCCCCC1 17297315 FPZQLVNNJNHYGB-UHFFFAOYSA-N 369.465 3.852 0 40 FHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCCC[C@@H]1CN(C)C 19560976 MCWYGHPIAQXAHX-MRXNPFEDSA-N 361.486 3.814 0 40 FHAB CN1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)c1ccccn1 19590816 ZJAFWIWGGIXIJY-TYPHKJRUSA-N 367.468 3.703 0 40 FHAB COc1cc(NC(=O)COc2ccc(C)c(C)c2)cc2sc(N)nc12 226312428 WSOXJRQQZLULLV-UHFFFAOYSA-N 357.435 3.521 0 40 FHAB CCC(C)(C)NC(=O)[C@H](OC(=O)c1cccs1)c1ccc(OC)cc1 4889879 LGOVKOVRAODDLV-MRXNPFEDSA-N 361.463 3.960 0 40 FHAB CCN(c1ccc(NC(=O)COC(=O)Cc2ccsc2)cc1)C(C)C 3254539 DFPIGQNCUNFTRV-UHFFFAOYSA-N 360.479 3.707 0 40 FHAB O=C(N1[C@H]2CC[C@H]1CC(n1cncn1)C2)C1(c2cccs2)CCCC1 827661338 RJSZMDMWWGQYHI-GJZGRUSLSA-N 356.495 3.546 0 40 FHAB O=C(CSc1nnc2n1CCCCC2)c1sccc1Br 36882323 MTBZQDMOTPMKHB-UHFFFAOYSA-N 372.313 3.804 0 40 FHAB COc1ccc(S(=O)(=O)N[C@H](C)Cc2cc3ccccc3o2)c(C)c1 244933275 CKAILJRWJNPOIQ-CQSZACIVSA-N 359.447 3.659 0 40 FHAB COc1ccc(-n2ccnc2SCC(=O)Nc2cccc(C)c2)cc1 2723168 IRWYVHFYZBBOJN-UHFFFAOYSA-N 353.447 3.920 0 40 FHAB Cc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(NC(=O)C2CC2)c1 5259015 SEHMIAZCNVNADS-UHFFFAOYSA-N 353.809 3.696 0 40 FHAB CCOc1ccc(N2CCn3c(SCc4ccccn4)nnc32)cc1 9651713 JBSOAHOAAYMHKG-UHFFFAOYSA-N 353.451 3.516 0 40 FHAB O=C([C@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCC(F)(F)CC1 2298212740 WDTRDGMXLFNVRK-HNNXBMFYSA-N 356.844 3.810 0 40 FHAB CC[C@@H](Oc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10443956 VVVAISBEXOVPSM-HXUWFJFHSA-N 366.461 3.721 0 40 FHAB O=C1NC2(CCCCCC2)C(=O)N1CN(C1CC1)[C@H]1CCc2ccccc21 40155482 ZJBZBTAOHZQNQX-IBGZPJMESA-N 367.493 3.741 0 40 FHAB C[C@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1ccc(F)c(F)c1F 40161184 CUYMOALPLAZPDG-JTQLQIEISA-N 366.339 3.704 0 40 FHAB Cc1sc2c(c1C)CN(Cc1cccnc1)CN2C(=O)c1ccco1 20192541 KEZRJFYLTKMTMM-UHFFFAOYSA-N 353.447 3.973 0 40 FHAB O=C(c1ccc(Br)cc1)[C@@H](CN1CCOCC1)c1ccccc1 20264557 GBENPFHLRCFAOS-SFHVURJKSA-N 374.278 3.748 0 40 FHAB Cc1ccn2c(=O)cc(COc3ccc(Cl)c4c3C(=O)C[C@H]4C)nc2c1 31871066 YKMQZTCNIIMBPY-GFCCVEGCSA-N 368.820 3.925 0 40 FHAB CCn1c(SCc2cc(F)cc3c2OCOC3)nnc1-c1ccncc1 31642102 SJUGTULUXQKXRT-UHFFFAOYSA-N 372.425 3.658 0 40 FHAB CC(C)(C)c1ccc2cc(C(=O)NCc3nnc4n3CCCCC4)[nH]c2c1 45890162 MUZUWGLMGXKEGT-UHFFFAOYSA-N 365.481 3.713 0 40 FHAB CCCCn1nc(C)c2c(C(=O)N[C@H](C)c3ccnn3CC)cc(C)nc21 17075607 VYFAGMHAERNCNH-CQSZACIVSA-N 368.485 3.556 0 40 FHAB COc1cccc(CN(C)C[C@H](O)COc2cc(Cl)ccc2Cl)c1 2631884 MWCKTMHFLWUHMI-HNNXBMFYSA-N 370.276 3.874 0 40 FHAB C[C@@H](NC(=O)[C@]1(C)CC1(Br)Br)c1ccccc1 4714232 IDVKVUZYDPROIM-SKDRFNHKSA-N 361.077 3.760 0 40 FHAB Cc1ccc2[nH]c3nc(SCC(=O)c4ccc(F)cc4)nnc3c2c1 4861442 PKWSQZUXYMWFRO-UHFFFAOYSA-N 352.394 3.929 0 40 FHAB Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)c(C)c1 6362184 RMGWAMWLQAZXEJ-UHFFFAOYSA-N 360.479 3.551 0 40 FHAB C[C@]1(CCc2ccccc2)NC(=O)N(CCOc2ccccc2Cl)C1=O 8390092 DYBMBINJNGUJAQ-HXUWFJFHSA-N 372.852 3.662 0 40 FHAB COc1ccc(CC(=O)NCc2ccc(CN3CCC[C@H](C)C3)cc2)cc1 32930077 IARBDSKGEMIIJR-SFHVURJKSA-N 366.505 3.786 0 40 FHAB Cc1nn(-c2ccccn2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)C2CCCCC2)C1 8623896 MOKLIJNDFKUDFW-RTBURBONSA-N 364.493 3.993 0 40 FHAB biogenic,in-vitro COc1ccc(O)c(NC(=S)NC(=O)c2ccc3ccccc3c2)c1 9064257 IZGQGTYJGIRAOR-UHFFFAOYSA-N 352.415 3.681 0 40 FHAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1 9609160 SYSYVFNSXLFBNC-UHFFFAOYSA-N 372.446 3.536 0 40 FHAB O=C1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)n2c(nc3ccccc32)N1 12407285 PPRYXGCDBNVLIH-AWEZNQCLSA-N 374.322 3.577 0 40 FHAB CCc1ccc(N[C@@H]2CC(=O)N(c3ccccc3Br)C2=O)cc1 101276898 WQMVVOQEHHNHOT-OAHLLOKOSA-N 373.250 3.756 0 40 FHAB CCc1c(C(=O)Nc2cccc(NC(C)=O)c2)cnn1-c1ccc(F)cc1 24488679 ATYVOHFCQHKEPG-UHFFFAOYSA-N 366.396 3.785 0 40 FHAB COC(=O)c1noc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc12 1385507 ZLKUCMFDSMUTSV-UHFFFAOYSA-N 364.279 3.886 0 40 FHAB C[C@H]1CCCN(C(=O)CSc2nc(C(F)(F)F)nc3ccccc23)C1 24967427 BXDYJQXKYSKHKI-NSHDSACASA-N 369.412 3.999 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)N(Cc1ccccc1)c1ccccn1 12555353 VPBGNGXZFKSFLD-UHFFFAOYSA-N 360.413 3.976 0 40 FHAB O=C(Nc1ccc(Oc2cccc(F)c2)cc1)[C@H]1CC(=O)N(C2CC2)C1 55949770 HIOJZBOOSLXURA-ZDUSSCGKSA-N 354.381 3.567 0 40 FHAB COc1cc(C)ccc1S(=O)(=O)Nc1ccc(Br)cc1C 54363357 NZQUEONNKCKDDI-UHFFFAOYSA-N 370.268 3.875 0 40 FHAB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)c2nc(N3CCCC3)ncc2Cl)o1 56457421 XDLBWJSUAKFTFT-GXTWGEPZSA-N 374.872 3.719 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(Cc2cscn2)CC1 56526733 RNXVNMOIYZYBAJ-UHFFFAOYSA-N 370.400 3.512 0 40 FHAB Cc1cc(OCC(=O)Nc2ccc(C)c(F)c2)nc(N2CCCCCC2)n1 44170193 JXHNXMMYHPCMTA-UHFFFAOYSA-N 372.444 3.630 0 40 FHAB Cc1ccc(-n2nnc(C(=O)NCc3cccc(Cl)c3)c2C)cc1F 51317722 LBTXVIVNXGFZAH-UHFFFAOYSA-N 358.804 3.607 0 40 FHAB C[C@@H]1Oc2c(C(=O)NC[C@@H](c3ccco3)N3CCCC3)cccc2[C@@H]1C 12594064 XKNWBHPDACSULG-VKJFTORMSA-N 354.450 3.731 0 40 FHAB CCCC[C@]12Oc3c(OC)ccc4c3[C@]13CCN(C)[C@H](C4)C3=CC=C2OC 100393618 VIVDQLUAHPGFOS-NLSFWIRASA-N 367.489 3.985 0 40 FHAB biogenic,in-vitro C[C@H]1C(=O)Nc2cc(C(=O)N[C@H](c3ccccc3)C(C)(C)C)ccc2N1C 108458282 XDBIDBNSLOUUTH-IFXJQAMLSA-N 365.477 3.981 0 40 FHAB COC(=O)c1cc(OCc2cccc(C)c2)c2cc(OC)c(OC)cc2n1 67341744 FUBOOMHTMNHUJF-UHFFFAOYSA-N 367.401 3.926 0 40 FHAB CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@H](C)C(=O)Nc1ccccc1 3365674 WYXIATZLIIJXHC-LLVKDONJSA-N 360.435 3.507 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2OC(F)F)cc1C 28054952 ZROINOPNUAWSEN-CYBMUJFWSA-N 355.406 3.944 0 40 FHAB CCOc1ccc(S(=O)(=O)N2CCCc3cc(F)cc(F)c32)cc1 24954446 GYRBNWLTXSCXFB-UHFFFAOYSA-N 353.390 3.505 0 40 FHAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccn3)n2C)c(C)c1 2382144 XNWYDRAZXZRMRG-UHFFFAOYSA-N 367.478 3.533 0 40 FHAB Cc1cc([C@H]2CCCN2C(=O)Cc2csc(Cc3ccccc3)n2)on1 48261055 BXEYEQBKUWIUCD-QGZVFWFLSA-N 367.474 3.937 0 40 FHAB CCN(CC)c1nc2sc(C(=O)NCCc3ccccn3)cc2s1 48375180 LKXFXRRXDWGOHB-UHFFFAOYSA-N 360.508 3.572 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)c2cc(F)cc3[nH]cnc23)c(OC)c1 48316598 KKKPPRHWSNVXPD-KRWDZBQOSA-N 369.396 3.697 0 40 FHAB CCN(CC)C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 12812238 YCANNDQGHWWVKJ-UHFFFAOYSA-N 366.870 3.623 0 40 FHAB Cc1ccccc1N(CC(=O)Nc1ccc(C(C)C)cc1)S(C)(=O)=O 12804986 HKUCMXYFEJMIRU-UHFFFAOYSA-N 360.479 3.523 0 40 FHAB Cc1ccc2c(CC(=O)N3CCN(c4ccc(F)cc4)CC3)coc2c1 3452349 JPNHGVYUFVYUOF-UHFFFAOYSA-N 352.409 3.772 0 40 FHAB CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)cc1 12942063 STBUDAWMGONRDT-UHFFFAOYSA-N 354.425 3.547 0 40 FHAB CSCc1ccc(C(=O)NCc2ccccc2Cn2cccn2)cc1 12922680 UCKKNUZVHFMEOS-UHFFFAOYSA-N 351.475 3.724 0 40 FHAB O=S(=O)(Oc1c(Cl)cc(CO)cc1Cl)c1ccc(Cl)cc1 409109538 GYMWXFQQGVNASQ-UHFFFAOYSA-N 367.637 3.907 0 40 FHAB CN(Cc1cc(=O)n2c3c(sc2n1)CCCC3)Cc1ccccc1Cl 9314783 ISDPODKOCSDJLL-UHFFFAOYSA-N 373.909 3.920 0 40 FHAB COc1cccc(CN2C(=O)Nc3ccccc3C(=O)N2C(C)(C)C)c1 4108571 ZNLBTOKAAGZOIO-UHFFFAOYSA-N 353.422 3.899 0 40 FHAB CC(C)[C@H](NC(=O)CCCNC(=O)c1ccsc1)c1cccs1 25876950 UETXNWPURPUCSC-INIZCTEOSA-N 350.509 3.833 0 40 FHAB Cc1nn(CC(C)C)c(Cl)c1C(=O)NC[C@H](c1ccccc1)N(C)C 8772305 MPAQVRFBLGQZLT-MRXNPFEDSA-N 362.905 3.534 0 40 FHAB CC(=O)c1ccc(O[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1 8769117 VNCLSRJXPURJRB-LJQANCHMSA-N 350.374 3.944 0 40 FHAB CC(C)c1nnc(SCC(=O)c2ccc(O)cc2)n1Cc1ccco1 14110305 BQEQEFOLRJXTKU-UHFFFAOYSA-N 357.435 3.723 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(C(C)C)cc2)c1C 4548437 SLWKORDGBQDPLI-UHFFFAOYSA-N 356.422 3.753 0 40 FHAB Cc1ccc(CCNC(=O)N2CCN(C)C[C@@H]2c2ccccc2)c(C)c1 65699053 FEIBEZSFLFYGOY-OAQYLSRUSA-N 351.494 3.544 0 40 FHAB CC(=O)Nc1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 9335629 GLIQSQDIYXSBBN-UHFFFAOYSA-N 363.373 3.743 0 40 FHAB O=C(NCCc1c[nH]c2ccccc12)c1cc(Cl)c2c(c1)OCCO2 7988618 LDQKUNFBXJSKNQ-UHFFFAOYSA-N 356.809 3.565 0 40 FHAB C[C@@H](NC(=O)CNC(=O)c1ccccc1Cl)c1ccc(Cl)cc1 8086018 YTMXBHSPBFIMEV-LLVKDONJSA-N 351.233 3.601 0 40 FHAB C[C@@H](NCC(=O)NCC1CCCCC1)c1ccccc1Br 16695809 UBPFLKHKMOMVLK-CYBMUJFWSA-N 353.304 3.796 0 40 FHAB COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)C3CCC3)c2)cc1 8185037 VXTGZLNAPSDDHU-UHFFFAOYSA-N 374.462 3.543 0 40 FHAB COc1cc(NC(=O)Cc2ccc3ccccc3c2)c(C(=O)O)cc1OC 8187813 ZXJGUEOXZALUDP-UHFFFAOYSA-N 365.385 3.736 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnnn1Cc1cccs1 8232475 IRRPFEPHJMXOOB-UHFFFAOYSA-N 369.475 3.548 0 40 FHAB COc1ccc(OCc2nnc3sc(CCc4ccccc4)nn23)cc1 9486229 QFRGKYJTWGBQFX-UHFFFAOYSA-N 366.446 3.559 0 40 FHAB CCC(=O)NC(=S)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1 408619194 GUCDOELONCSVDO-UHFFFAOYSA-N 367.430 3.908 0 40 FHAB Cc1nc(C)n(-c2ccccc2NC(=O)[C@@H]2SCCc3ccccc32)n1 84280429 SCNFJBMLXXBXJG-LJQANCHMSA-N 364.474 3.853 0 40 FHAB COc1ccc(-c2noc([C@@H](C)Oc3ccc(CC(=O)O)cc3)n2)cc1 97165983 XZEWFBSVCFYZFJ-GFCCVEGCSA-N 354.362 3.512 0 40 FHAB Cc1nc(NC(=O)CCCC(=O)c2cccs2)sc1-c1nccn1C 25576188 APJSEVUYBVYWDV-UHFFFAOYSA-N 374.491 3.905 0 40 FHAB Cc1cc(C(=O)O)ccc1NC(=O)c1cnn(-c2ccccc2F)c1C 95349600 CDVRZVWXINJATC-UHFFFAOYSA-N 353.353 3.579 0 40 FHAB Cc1ccc(C(=O)OCC(=O)COC(=O)c2ccc(C)c(C)c2)cc1C 20750134 PKPJVGKCOVTPLC-UHFFFAOYSA-N 354.402 3.503 0 40 FHAB CCOc1ccc(CCC2CCN(CCn3c(C)csc3=O)CC2)cc1 84807999 LGRMOBURWFWOTE-UHFFFAOYSA-N 374.550 3.962 0 40 FHAB O=C(CN1CCCCC[C@@H]1C[C@@H](O)c1ccccc1)NCc1cccs1 75107790 XWEQHUNSEYXIGS-UYAOXDASSA-N 372.534 3.733 0 40 FHAB Cc1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)c(C)n1Cc1ccco1 25243719 CDJLOMPYQFRJHD-CQSZACIVSA-N 366.417 3.966 0 40 FHAB Cc1cccc(OC[C@H](O)CN2CCC(Cc3ccccc3)CC2)c1C 26780473 YUEPRKAKQFHNRT-JOCHJYFZSA-N 353.506 3.998 0 40 FHAB Cc1ccc([C@H](NC(=O)CCNC(=O)c2ccc(F)cc2F)C2CC2)cc1 25161126 XZZYQURRQAFZID-FQEVSTJZSA-N 372.415 3.661 0 40 FHAB O=C(O[C@H](C(=O)NCc1ccc(F)cc1)c1ccc(F)cc1)c1ccco1 35289440 DHQKCZPGMVJOJO-SFHVURJKSA-N 371.339 3.772 0 40 FHAB CNC(=O)c1ccc(CN2CCc3cc(Br)cc(C)c3C2)cc1 539376854 MEDMUJNTBAVKKI-UHFFFAOYSA-N 373.294 3.675 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 219054596 SRYXEGFWQOXDJO-KBPBESRZSA-N 363.841 3.700 0 40 FHAB Cc1cc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)[nH]n1 32937096 ACIUFVCURFBOLC-UHFFFAOYSA-N 363.446 3.910 0 40 FHAB Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)CCc2ccccc2)n1 72378531 QJIGPIGNKWKOCP-FQEVSTJZSA-N 360.461 3.872 0 40 FHAB COc1ccccc1Oc1ccc(C(=O)N(C)Cc2c(C)nn(C)c2C)o1 72265300 GSPNRORFUICJBN-UHFFFAOYSA-N 369.421 3.703 0 40 FHAB O=C(c1ccc2nsnc2c1)N(Cc1ccccn1)Cc1ccco1 62018038 LZUTYVRZSJZRBF-UHFFFAOYSA-N 350.403 3.522 0 40 FHAB COC(=O)[C@H](c1ccc(F)cc1)N(C)Cc1ccc(SC)c(OC)c1 60356154 ZBCGTWDAYNWJHO-SFHVURJKSA-N 363.454 3.902 0 40 FHAB O=C(NCCC(=O)N1CCCc2ccccc21)c1cc(Cl)ccc1F 40122531 FQFVEGOCZYGKOM-UHFFFAOYSA-N 360.816 3.578 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 224885018 LSBLCWZZJJOJFR-LLVKDONJSA-N 355.312 4.000 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 223593972 MTZSSRUIZQCPTB-QGZVFWFLSA-N 370.518 3.641 0 40 FHAB COc1ccc(C(=O)Nc2c(C)cc(N)cc2Br)cc1OC 226763261 LCEWKADQHNBPRL-UHFFFAOYSA-N 365.227 3.609 0 40 FHAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccn2)S1 222587081 OGNBCUYUQFAZNC-JVPBZIDWSA-N 361.474 3.857 0 40 FHAB O=C(Cc1ccccc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 225438570 ADXHKIVDQCHTEA-RMKNXTFCSA-N 354.881 3.740 0 40 FHAB COCc1cccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1 223452267 AWEDMUKZBVIBLK-PKNBQFBNSA-N 357.406 3.511 0 40 FHAB O=C(NC[C@@H](c1ccsc1)N1CCC1)c1cc(-c2ccccc2)on1 225593817 WVZCDNUESSHTIC-KRWDZBQOSA-N 353.447 3.580 0 40 FHAB CC(=O)N1CC[C@@]2(C(=O)Nc3ccc(Oc4ccccc4)cc3)C[C@H]2C1 96157051 RMGXTMYEAJACAO-HRAATJIYSA-N 350.418 3.676 0 40 FHAB CSc1ccc([C@@H](O)CNC(=O)c2cc(Br)cs2)cc1 96103171 OGJTXHIBCKPMBE-LBPRGKRZSA-N 372.309 3.696 0 40 FHAB Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](OCc4cccnc4)[C@H]3C2)cc1 96182975 AERKBLFQZYIQPF-QHAWAJNXSA-N 350.462 3.848 0 40 FHAB O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)N1CCC[C@@H](c2ncc[nH]2)C1 333762687 WBCXJDCVXZCPJO-IPMKNSEASA-N 352.482 3.710 0 40 FHAB CCS(=O)(=O)C(Cl)(Cl)[C@H](O)c1ccc(Cl)cc1Cl 96519676 ALUWBPFEMPYZLU-SECBINFHSA-N 352.066 3.593 0 40 FHAB Cc1cc(N2CCC[C@@H](c3ncc(Cc4ccccc4F)o3)C2)ncn1 257216917 CWQQTKIYLMUXQD-MRXNPFEDSA-N 352.413 3.887 0 40 FHAB CCOC(=O)c1ccc2c(c1)nc(CP(=O)(OCC)OCC)n2CC 1776004359 PQCVDCAFJBSJHM-UHFFFAOYSA-N 368.370 3.999 0 40 FHAB O=C(O)[C@H]1CCN(C(=O)c2ccc(-c3cccc(Cl)c3)cn2)C2(CC2)C1 1777615092 VPVQDAKRAZBTPR-AWEZNQCLSA-N 370.836 3.871 0 40 FHAB C[C@H](NC(=O)c1ccn(C2CCOCC2)n1)c1cccc(C(F)(F)F)c1 623473310 RJIHNSMPTQOTJO-LBPRGKRZSA-N 367.371 3.744 0 40 FHAB CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1C(=O)c1cnco1 647054250 PDEHNQSFANBIJY-QGZVFWFLSA-N 361.873 3.701 0 40 FHAB Cc1cc(S(=O)(=O)Nc2ccc3[nH]c(=O)c(C)cc3c2)sc1Cl 647919753 QECWFQNBVKAXQF-UHFFFAOYSA-N 368.867 3.661 0 40 FHAB COc1cccc([C@H](CNC(=O)c2cccc(C(F)(F)F)c2)OC)c1 96389949 UVBDGXXZUBSMGC-INIZCTEOSA-N 353.340 3.832 0 40 FHAB Cc1c(C(=O)NCc2ccc(-c3ccoc3)nc2)cnn1-c1ccccc1 390830119 IVINYFSVPKADMV-UHFFFAOYSA-N 358.401 3.766 0 40 FHAB COc1ccc2cc(COC(=O)Cn3ccc(C(F)(F)F)n3)ccc2c1 44034819 ZZBGVFJCCPIBRY-UHFFFAOYSA-N 364.323 3.807 0 40 FHAB Cc1noc(C)c1CN(C)C(=O)Nc1ccc(F)cc1Br 48452747 IQZYMRVWRXPULN-UHFFFAOYSA-N 356.195 3.857 0 40 FHAB CCN(C(=O)[C@@H](C)N1CCN(CC2CC2)CC1)c1cccc2ccccc12 52164830 QDHDDXIFCQEBGC-GOSISDBHSA-N 365.521 3.609 0 40 FHAB COc1ccc(CNC(=O)[C@@H](C)NCc2cccc(C(F)(F)F)c2)cc1 58137785 OEKYKPCODCAABJ-CYBMUJFWSA-N 366.383 3.509 0 40 FHAB CCCNC(=O)Nc1ccc(CC(=O)NCC2C[C@H](C)C[C@@H](C)C2)cc1 1165885254 NFGKKRUIRGYJPF-HZPDHXFCSA-N 359.514 3.949 0 40 FHAB COc1ccc(-c2nc(CCNC(=O)c3ccc(C)cc3C)co2)cc1 1626346720 ZDBVZKHLGOJCKL-UHFFFAOYSA-N 350.418 3.940 0 40 FHAB CC[C@H](C)Oc1ccccc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O 7078429 OLQQMKBRYGZUAM-VUODPORTSA-N 350.418 3.957 0 40 FHAB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1C2 5635507 CHWABAWPEQSGGM-ZKYQVNSYSA-N 362.886 3.522 0 40 FHAB CCNc1c(NC(=O)COc2ccc(C)cc2)c(=O)oc2ccccc12 13365205 XDNUVAOGFXPDRK-UHFFFAOYSA-N 352.390 3.551 0 40 FHAB O=c1cc([C@H]2CCCCN2Cc2cccc(F)c2)nc(-c2ccccn2)[nH]1 19402755 IGSJAZYADOWPOR-LJQANCHMSA-N 364.424 3.698 0 40 FHAB CCOc1ccc(OCCNC(=O)Cc2coc3cc(OC)ccc23)cc1 19616108 VTUYJENVNBUVPP-UHFFFAOYSA-N 369.417 3.578 0 40 FHAB CCc1cc(C(=O)N[C@H](c2ccc(OC)cc2)C2CC2)c2c(C)noc2n1 19714513 KXDFKKUCNHTBDC-IBGZPJMESA-N 365.433 3.983 0 40 FHAB COc1ccc2c(CC(=O)O[C@H](C)C(=O)NCC3CCCCC3)coc2c1 5184976 ZABCPHLQCOGUKK-CQSZACIVSA-N 373.449 3.612 0 40 FHAB CCCCn1nc(C(=O)Nc2ccc(F)cc2C)c2ccccc2c1=O 6610680 AEKQGWZBQPAZPD-UHFFFAOYSA-N 353.397 3.896 0 40 FHAB C[C@H](NC(=O)COc1ccccc1)c1ccc(OCc2cccnc2)cc1 32676945 XPZHBUJOULCMDR-KRWDZBQOSA-N 362.429 3.917 0 40 FHAB Cc1cc(OC[C@@]2(O)CCCN(C(=O)CC3CC3)CC2)cc(C)c1Cl 2037912663 UBFIWBMFNJJEMV-HXUWFJFHSA-N 365.901 3.879 0 40 FHAB CCc1ccc(NC(=O)CSc2ccc(-c3cccnc3)nn2)cc1 4391903 JGANVKSHGAYNGK-UHFFFAOYSA-N 350.447 3.832 0 40 FHAB Cc1ccc(C)c(NC(=O)CSc2ccc(-c3ccccn3)nn2)c1 6859343 IVHYCYFNFAATCW-UHFFFAOYSA-N 350.447 3.886 0 40 FHAB CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)C(C)(C)C)s1 12442906 QMVPJCROLLAEHT-UHFFFAOYSA-N 363.508 3.633 0 40 FHAB C[C@H](NC(=O)c1ccc(Cl)cc1)[C@@H](c1cccs1)N1CCOCC1 23181014 GSNHPMOHBGCPTK-GUYCJALGSA-N 364.898 3.593 0 40 FHAB O=C(O)c1ccc2c(c1)NC(=O)[C@H](CSCc1ccccc1Cl)N2 5660298 VCAUCCLVKJDYIQ-HNNXBMFYSA-N 362.838 3.704 0 40 FHAB O=C(N[C@@H]1CCCc2ccccc21)c1cccc(NC(=O)[C@@H]2CCCO2)c1 24604288 VUCWXLWQBDVLPZ-UXHICEINSA-N 364.445 3.612 0 40 FHAB Cc1nn(-c2nc3ccccc3s2)c(O)c1[C@@H]1OC(=O)c2ccccc21 100430128 GCMRNAOVRARPEC-MRXNPFEDSA-N 363.398 3.756 0 40 FHAB CN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C1CCCCC1 40159884 WWKTUBPHLPEDQJ-MRXNPFEDSA-N 362.901 3.983 0 40 FHAB CN(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)-c2ccccc2C3)C1 40130102 RQOVODHPVOVFNT-QGZVFWFLSA-N 363.461 3.590 0 40 FHAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N[C@H](C)CCCC(C)C)cc1 40160523 HZBMMUMXSOWCCF-RVSUXWIQSA-N 360.498 3.544 0 40 FHAB COC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 2523599 NHPQBUVLBXQWGT-UHFFFAOYSA-N 359.838 3.853 0 40 FHAB COc1ccc(OC)c(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c1 8185227 FVMFWHDUWDAEQJ-UHFFFAOYSA-N 351.406 3.759 0 40 FHAB Cc1ccccc1C(=O)Nc1c(C(=O)NC(C)C)cnn1-c1ccccc1 753967 XIIVEWCJILIALO-UHFFFAOYSA-N 362.433 3.571 0 40 FHAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1OCc1ccccc1 2628327 NPHQENHMVDJCAZ-UHFFFAOYSA-N 361.397 3.924 0 40 FHAB CC(C)(C)C1CCC(OC[C@H](O)CN2C(C)(C)CC(O)CC2(C)C)CC1 1470038 AVIBQUGXCYWJEA-CUYAVPTFSA-N 369.590 3.983 0 40 FHAB Cc1ccc(C(=O)[C@@H](C)Sc2ccc(C(=O)N3CCCC3)cn2)cc1 32789432 SEVTVARJWXLUJV-OAHLLOKOSA-N 354.475 3.990 0 40 FHAB CCOC(=O)CSc1nnc(-c2cccc(C)c2)n1Cc1ccccc1 4167398 JDOJKRAUMOIWNC-UHFFFAOYSA-N 367.474 3.957 0 40 FHAB COc1ccc([C@@H]2CCCCCN2CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 102492173 AFKNQPGFUQEQFS-UFYCRDLUSA-N 368.477 3.521 0 40 FHAB Cc1cc(C)c(NC(=O)CSc2nc3scc(C)c3c(=O)[nH]2)c(C)c1 4911471 BKIMXQBCTMTCHO-UHFFFAOYSA-N 373.503 3.949 0 40 FHAB CCCCC(=O)N(Cc1ccc(C(C)C)cc1)[C@H]1CCS(=O)(=O)C1 6397763 ZSESKNXBUREGMS-SFHVURJKSA-N 351.512 3.516 0 40 FHAB c1csc(-c2nnc(CSc3nnc4[nH]c5ccccc5n34)o2)c1 6507014 SQBJKJVKQZAKJR-UHFFFAOYSA-N 354.420 3.614 0 40 FHAB COC(=O)c1cc(OC(=O)/C=C/c2ccccc2Cl)cc(C(=O)OC)c1 6637685 ZKRPSTGTGKCDSK-BQYQJAHWSA-N 374.776 3.532 0 40 FHAB O=C(c1ccncc1)N1C[C@@H]2COc3ccccc3[C@@H]2N1c1ccccc1 6674754 IHTIDDLKWSFLLA-DYESRHJHSA-N 357.413 3.709 0 40 FHAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)N(C)c2ccccc2)n1C 2654001 JHNBDKTUIWITPX-ZDUSSCGKSA-N 356.451 3.527 0 40 FHAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1 7709532 YGNKCTUILKYVIQ-UHFFFAOYSA-N 355.415 3.817 0 40 FHAB O=C(Cc1ccccc1F)NCc1ccnc(OCc2ccccc2)c1 32930381 BXQUSPLJMSCDKL-UHFFFAOYSA-N 350.393 3.659 0 40 FHAB CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(NC(N)=O)cc3)o2)cc1 32901845 XBSDGWLPOBYEOL-UHFFFAOYSA-N 363.373 3.892 0 40 FHAB COc1cc(S(=O)(=O)Nc2cccc(Cl)c2Cl)ccc1F 8499672 RYVADBVCJLUEET-UHFFFAOYSA-N 350.198 3.942 0 40 FHAB Clc1snnc1CN(Cc1ccc2c(c1)OCO2)C1CCCC1 37123890 XGYURDOXHIXGKM-UHFFFAOYSA-N 351.859 3.865 0 40 FHAB COc1ccccc1CNC(=O)Cc1csc(COc2ccccc2)n1 33326156 XUYAQJRCYKQDJE-UHFFFAOYSA-N 368.458 3.590 0 40 FHAB CCCC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)o2)c1 9062108 KQYSFGDRQFSFPQ-UHFFFAOYSA-N 350.378 3.728 0 40 FHAB CC(C)COc1ccc(C(=O)O[C@H]2CC(C)(C)OC[C@H]2CN(C)C)cc1 826069 SSALKHAQQLSWJX-MJGOQNOKSA-N 363.498 3.624 0 40 FHAB O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1cc(Cl)cc(Cl)c1 22958171 LHOCPKOMPTVCBH-UHFFFAOYSA-N 365.138 3.813 0 40 FHAB Cc1nc(C(C)(C)C)nc2sc(C(=O)NC3CCC(O)CC3)c(C)c12 55472956 PGUIJQYTZOXXEV-UHFFFAOYSA-N 361.511 3.639 0 40 FHAB CCOc1ccc2nc(Nc3ncc4c(n3)C[C@H](C)CC4=O)nc(C)c2c1 20634489 YEILQSJZXKWHCH-NSHDSACASA-N 363.421 3.636 0 40 FHAB Clc1ccc(OCCN2CCN(c3nc4ccccc4o3)CC2)cc1 25249688 AWQSQWQULLAWNB-UHFFFAOYSA-N 357.841 3.682 0 40 FHAB C[C@H](O)c1nc2ccccc2n1C[C@H](O)COc1ccc(C(C)(C)C)cc1 12507043 ADRSLLHMZWTRNL-RDJZCZTQSA-N 368.477 3.827 0 40 FHAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)C1(C)C 26414680 CTAFCQARRCIZOI-KVSKMBFKSA-N 370.493 3.772 0 40 FHAB Cc1cc(NC(=O)N(C)[C@H](c2ccc(Cl)cc2)c2nccn2C)no1 12574990 TUCTUQIYVBQQEG-OAHLLOKOSA-N 359.817 3.623 0 40 FHAB CCCCOC(=O)c1cccc(NC(=O)COc2ccc(OC)cc2)c1 1801372 CKQGALWYTLUIDZ-UHFFFAOYSA-N 357.406 3.670 0 40 FHAB Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NCc1nc(C2CC2)no1 58192849 SULLSOLKKFQNEC-CQSZACIVSA-N 354.454 3.882 0 40 FHAB COc1ccc(CC(=O)N2CCC(Nc3ccccc3C)CC2)c(OC)c1 58170983 RJYFXEDJKUBTEM-UHFFFAOYSA-N 368.477 3.658 0 40 FHAB O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccoc1 58224855 OHMMHAWIKMDKHC-UHFFFAOYSA-N 352.356 3.693 0 40 FHAB COc1ccc(/C=C/C(=O)NCC2(c3ccccc3)CCOCC2)cc1 2308974 OZXZVUVJHJDHFL-FMIVXFBMSA-N 351.446 3.573 0 40 FHAB biogenic O=C1CSc2ccc(C(=O)N[C@H]3CCSc4ccc(F)cc43)cc2N1 10963681 ACAJIYXIGTUTGO-ZDUSSCGKSA-N 374.462 3.837 0 40 FHAB Cc1c(C(=O)N(C)Cc2nnc3n2CCC3)oc2c1ccc1ccccc12 11120279 OUGJDZSJSAWUHK-UHFFFAOYSA-N 360.417 3.704 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(O)cc2)N1c1ccccn1 2493247 XMLIYIMHAOWEHJ-IBGZPJMESA-N 370.364 3.643 0 40 FHAB O=C(N[C@H](c1cccs1)C1CCCC1)c1c[nH]c(C(=O)N2CCCC2)c1 48234716 HZXSNBRXVQCMBR-SFHVURJKSA-N 371.506 3.974 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)COc2ccccc2F)c(OC)c1 12782986 RLEYMZBJDCPCOB-KRWDZBQOSA-N 359.397 3.585 0 40 FHAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N(Cc3ccccn3)C(C)C)c12 48303854 WLUJKWNDQPOFFL-UHFFFAOYSA-N 365.481 3.846 0 40 FHAB O=C(N[C@H](c1ccccc1)C1CC1)C1CCN(C(=O)c2ccsc2)CC1 48303154 IHDMEIOERAENLI-LJQANCHMSA-N 368.502 3.868 0 40 FHAB NC(=O)c1ccccc1OCCOc1ccc(Cl)cc1Br 12904356 IAJMJMLDWVJAPT-UHFFFAOYSA-N 370.630 3.659 0 40 FHAB COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(F)c3c2C(=O)C[C@H]3C)cc1 12931317 IOXJVSKLPAOOAP-CHWSQXEVSA-N 371.408 3.608 0 40 FHAB COC(=O)c1ccc([C@H]2NC(=O)c3c(sc4c3CC[C@@H](C)C4)N2)cc1 3647454 PCFVYSKRXYIUPA-HWPZZCPQSA-N 356.447 3.514 0 40 FHAB COCCCN1C(=O)S/C(=C/c2cccc(Br)c2)C1=O 409234506 LEKVDDLPOWFPDM-FMIVXFBMSA-N 356.241 3.522 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)/C=C/c1ccc(Cl)cc1)CC2 4086234 YQAWIYYDUSLWHB-VMPITWQZSA-N 357.837 3.955 0 40 FHAB biogenic CCSc1ncc(Cl)c(C(=O)/N=c2/[nH]c3ccccc3s2)n1 13653961 WFIHAQGDPILQHE-UHFFFAOYSA-N 350.856 3.526 0 40 FHAB COc1ccc2nc(SCc3nc4sc(C)c(C)c4c(=O)[nH]3)[nH]c2c1 4252374 VQECBLLLXZXPKQ-UHFFFAOYSA-N 372.475 3.779 0 40 FHAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1 6170549 PSZYRFNUPHQINI-UHFFFAOYSA-N 374.853 3.865 0 40 FHAB Cc1cc(C(=O)CSc2nc(C(C)C)n[nH]2)c(C)n1C[C@H]1CCCO1 14142246 FHDHZMSWVREWOI-CQSZACIVSA-N 362.499 3.500 0 40 FHAB C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC[C@@H](C(F)(F)F)C1 14110196 DVZHCVANKATPKQ-GHMZBOCLSA-N 366.330 3.889 0 40 FHAB Cc1ccccc1CNC(=O)CSc1nc(/C=C/c2cccs2)n[nH]1 14167005 SEUGGTKJUJQVLY-CMDGGOBGSA-N 370.503 3.754 0 40 FHAB COc1cc(-c2nn3c(-c4cccs4)nnc3s2)cc(OC)c1OC 4511852 UAPCKFBRHYPNTQ-UHFFFAOYSA-N 374.447 3.607 0 40 FHAB CS(=O)(=O)Nc1ccc(C(=O)NC2CCCCCCC2)c(Cl)c1 22532437 FSUJNDYOIAHBLT-UHFFFAOYSA-N 358.891 3.554 0 40 FHAB O=C1NC2(CCCC2)C(=O)N1CCSc1cc(Cl)ccc1Cl 5473261 YAIIHQJMFDRTIP-UHFFFAOYSA-N 359.278 3.950 0 40 FHAB Cc1ccccc1[C@H](C)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 14706738 UHKKPGPHLLAVBM-NSHDSACASA-N 372.774 3.706 0 40 FHAB CCN(CC)C(=O)c1cccc(NC(=O)C2(c3ccc(F)cc3)CC2)c1 23019670 MQLTWVSXLGDJRB-UHFFFAOYSA-N 354.425 3.978 0 40 FHAB CC(C)Sc1ccccc1C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 4986152 FJTSMOSICZMYMI-UHFFFAOYSA-N 355.463 3.630 0 40 FHAB C[C@@H](Sc1ccc(F)c(F)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 7161513 OMVVZZAPWPBUEN-SNVBAGLBSA-N 371.430 3.700 0 40 FHAB CCc1nnsc1C(=O)OCc1cc(=O)oc2cc(C)c(C(C)C)cc12 7439628 ZPUKDQNSOQHICA-UHFFFAOYSA-N 372.446 3.996 0 40 FHAB COc1ccc(-c2nc(CSc3cccc[n+]3[O-])cs2)cc1OC 7507241 BEEFYOVHZBOHKS-UHFFFAOYSA-N 360.460 3.753 0 40 FHAB CC(=O)c1ccc(NC(=O)CN(C)Cc2nc3ccccc3s2)cc1 7689076 MCQGNSGKQIYCOR-UHFFFAOYSA-N 353.447 3.569 0 40 FHAB Cc1ccc2c(CSc3nnc(C(F)(F)F)n3C)cc(=O)oc2c1C 7698983 MHCLHSJRPWUHTI-UHFFFAOYSA-N 369.368 3.849 0 40 FHAB COc1cc(OC)c(NC(=O)c2cc(Cl)c3c(c2)OCO3)cc1Cl 8987849 KFOHVLJVRVOOSQ-UHFFFAOYSA-N 370.188 3.992 0 40 FHAB Cc1csc(S[C@@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)n1 7817153 QFABUXVMSXCPGF-NSHDSACASA-N 361.492 3.696 0 40 FHAB CN(Cc1nc2ccccc2s1)S(=O)(=O)c1ccc2c(c1)CCCC2 8058591 VGKSQPUFHWSHQH-UHFFFAOYSA-N 372.515 3.996 0 40 FHAB C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC[C@H](C2(C)OCCO2)C1 96010284 MEXPBVAXDGXMCY-KGLIPLIRSA-N 369.914 3.822 0 40 FHAB O=C(C1CCOCC1)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 96001336 LSGLNPCFJKMVBW-QGZVFWFLSA-N 355.438 3.607 0 40 FHAB C[C@@H]1Oc2ccc(-c3csc(NC(=O)c4cccs4)n3)cc2NC1=O 19796563 FEIGGAQYTQAUSV-VIFPVBQESA-N 371.443 3.843 0 40 FHAB COc1ccc(OC)c(NC(=O)COC(=O)c2csc3ccccc23)c1 9495831 WSCACAASJNWMDI-UHFFFAOYSA-N 371.414 3.714 0 40 FHAB CCOc1cc(C(=O)NC[C@H]2CCCN2CC2CCCCC2)ccc1OC 72273507 IDAOSINJHFJTNL-LJQANCHMSA-N 374.525 3.868 0 40 FHAB CCOc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)n[nH]2)cc1 9515486 VQTNVWVRXYUSME-CYBMUJFWSA-N 368.462 3.990 0 40 FHAB Cc1c(C(=O)Nc2cccc(F)c2)nnn1-c1ccc(OC(F)F)cc1 19911206 OOIRFVGPZAGCBC-UHFFFAOYSA-N 362.311 3.569 0 40 FHAB Cc1nn(C)c(C)c1C(=O)Nc1nc2ccccc2n1Cc1ccccc1 28236145 DSFZPDFTPZBDLD-UHFFFAOYSA-N 359.433 3.687 0 40 FHAB Cc1cc(C(=O)NCCc2nc(C3CC3)cs2)c2ccc(F)cc2n1 72310484 DAWKMNXIZKHULP-UHFFFAOYSA-N 355.438 3.989 0 40 FHAB COc1ccc(F)cc1C(=O)NCc1cccc(C(=O)OC(C)(C)C)c1 95463130 QSQNBROMGHZVDL-UHFFFAOYSA-N 359.397 3.720 0 40 FHAB CC(C)N(C)CC(=O)N(C)c1nc2c(s1)C[C@@H](c1ccccc1)CC2 95958623 YEPMBIJJDGNYKG-INIZCTEOSA-N 357.523 3.719 0 40 FHAB CC(=O)c1ccc(C(=O)Nc2ccc(CN3CCSCC3)cc2C)cc1 78599947 UHLMYOVXQLAKGD-UHFFFAOYSA-N 368.502 3.999 0 40 FHAB O=C(C1CCC1)N1Cc2ccccc2[C@H](c2nccn2Cc2cccnc2)C1 306127563 GBZZYBUDCHYVMD-OAQYLSRUSA-N 372.472 3.601 0 40 FHAB O=C(NCC1CCCC1)c1cc(Cl)ccc1I 32924616 ULNMSVUQSMUYAV-UHFFFAOYSA-N 363.626 3.865 0 40 FHAB O=C(Nc1cccc2cccnc12)c1cc(=O)c(OCc2ccccc2)c[nH]1 524734059 RQFCPXNVJFAIDJ-UHFFFAOYSA-N 371.396 3.754 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1C 32585662 AUNQVQXZDSCTOS-UHFFFAOYSA-N 355.843 3.857 0 40 FHAB O=C(NCc1cccs1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 38671442 JPJHZAPEMXJQAS-UHFFFAOYSA-N 354.435 3.999 0 40 FHAB C[C@@H](NC(=O)[C@H]1CCCN1C(=O)C1CC1)c1ccc(-c2ccccc2)cc1 32827248 QLOUMEIQTBRCNK-IIBYNOLFSA-N 362.473 3.932 0 40 FHAB O=C(NC[C@@H](O)c1cccc2ccccc12)c1ccc(Br)o1 70636027 RIDPQJMZXJPAGX-CQSZACIVSA-N 360.207 3.659 0 40 FHAB Cc1cc(C)nc(SCc2ccc(C(=O)Nc3ncccc3C)o2)n1 79495008 KFUKTQAZOVUKOI-UHFFFAOYSA-N 354.435 3.934 0 40 FHAB COc1ccc(OC)c(NC(=O)c2ccc3c(c2)OCC(C)(C)CO3)c1 225360586 JXSOJWBMJNKVFW-UHFFFAOYSA-N 357.406 3.754 0 40 FHAB CCCSc1nnc(NC(=O)CCc2ccc(OC)c(C)c2)s1 224666981 AVHQEPTZDLRRCA-UHFFFAOYSA-N 351.497 3.929 0 40 FHAB Cc1ccc(NC(=S)NCc2nc(-c3ccccc3Cl)no2)nc1 225819947 PKVKQNPGPGTMPS-UHFFFAOYSA-N 359.842 3.580 0 40 FHAB O=C(NCCc1nc(C2CC2)cc(C(F)(F)F)n1)c1ccc(F)c(F)c1 77101132 PMKIPCIOBVUVAJ-UHFFFAOYSA-N 371.309 3.624 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225056815 ZYCHTKQQSUOTAG-CQSZACIVSA-N 360.410 3.535 0 40 FHAB Cc1ccc(OCCNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 44908876 RUIVEMVTORLTNM-IBGZPJMESA-N 370.468 3.541 0 40 FHAB COC[C@H](C)NC(=O)c1ccc(OC)c(COc2ccc(C)c(C)c2)c1 224296805 IUZVBQSBEYHBDE-INIZCTEOSA-N 357.450 3.656 0 40 FHAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 222994947 KQTZENGVJGQRKX-LJQANCHMSA-N 366.505 3.871 0 40 FHAB CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1O 224620617 QFCOVOHKQZHMJY-RBUKOAKNSA-N 364.474 3.786 0 40 FHAB CC1CCN(Cc2ccc(CNC(=O)Cc3cnccc3Cl)cc2)CC1 577013147 FWHIZPMJRPGWLS-UHFFFAOYSA-N 371.912 3.826 0 40 FHAB Cn1nc(-c2ccccc2)cc1C(=O)Nc1nnc(C2CCCC2)s1 96343663 IXDPZXAYXICFAT-UHFFFAOYSA-N 353.451 3.849 0 40 FHAB O=C(NC1C[C@@H]2[C@@H](C1)C2(F)F)c1cc(-c2ccco2)nn1-c1ccccc1 1329008347 PTBGVNNCRQXOJY-HUUCEWRRSA-N 369.371 3.906 0 40 FHAB COC(=O)N1CCc2ccc(NC(=O)CSc3ccc(F)cc3)cc2C1 96096267 WRNAWLBLJQUXPT-UHFFFAOYSA-N 374.437 3.681 0 40 FHAB c1cc2c(C[C@H]3COCCN(Cc4ccc5[nH]ccc5c4)C3)nccn2c1 585182369 USCOSYAPMUYTAK-GOSISDBHSA-N 360.461 3.507 0 40 FHAB CC(=O)Nc1ccc(NC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 56568372 OIIOZNAIWNCGMS-SFHVURJKSA-N 373.840 3.904 0 40 FHAB C[C@@H](NC(=O)c1cc(N(C)C)nc2ccccc12)[C@H]1COc2ccccc21 509191874 MPMXBJNCIYMFDW-RDTXWAMCSA-N 361.445 3.595 0 40 FHAB O=C(NC1CC1)[C@H](Sc1nncn1-c1ccccc1F)c1ccccc1 12795143 VFRGNKPLSUCBBO-QGZVFWFLSA-N 368.437 3.518 0 40 FHAB COc1ccc(-c2nc(COC(=O)c3ccccn3)cs2)c(OC)c1 12848006 OKEBEDOHCFMGNX-UHFFFAOYSA-N 356.403 3.579 0 40 FHAB CCCn1c(SCCn2c(C)csc2=O)nnc1-c1cccc(C)c1 12910890 WVHFIYOYIHJADN-UHFFFAOYSA-N 374.535 3.987 0 40 FHAB COc1ccc(/C=C/C(=O)Oc2cc(C)nn2-c2nc3ccccc3[nH]2)cc1 13639534 ADFFTZDUANGXPD-FMIVXFBMSA-N 374.400 3.684 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccc(Br)o1 18202770 YLPLYRATNMJECV-UHFFFAOYSA-N 374.238 3.775 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CN(C[C@H](O)c1ccc(C)cc1C)CC3 19132541 BTJGHBDZVPZKOS-QFIPXVFZSA-N 350.462 3.885 0 40 FHAB COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NCc2cnc(C)nc2)cc1OC 19287279 NVDHWQJIGBHMKE-UDKICSLYSA-N 367.493 3.864 0 40 FHAB C[C@@H](CC(=O)N1CCCC[C@@H]1CCN1CCCC1)n1cnc2ccccc21 19455277 PNNRPLQSUTUBNO-RBUKOAKNSA-N 368.525 3.854 0 40 FHAB Cc1ccccc1O[C@H](C)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 19933257 VOINYDGZXOPSKW-GPVYEGESSA-N 364.489 3.620 0 40 FHAB Cc1n[nH]c(C)c1CNC(=O)N1CCC([C@H](F)c2ccccc2F)CC1 606442523 QJHPFZWLSJJVAZ-SFHVURJKSA-N 362.424 3.798 0 40 FHAB C[C@H](NC(=O)CSCc1ccccc1)c1ccc(-n2ccnc2)cc1 23156471 NRPRGKBUULWZCM-INIZCTEOSA-N 351.475 3.983 0 40 FHAB C[C@H]1CC[C@@H]2[C@@H](O1)c1ccccc1OC21CCN(C2CCOCC2)CC1 2037976906 ONJBLFLOBIGRKN-SCWSEQNSSA-N 357.494 3.949 0 40 FHAB CCc1ccc(-n2ccc(=O)c(-c3nc(-c4ccc(OC)cc4)no3)n2)cc1 49006358 GVYPCBBREGQINQ-UHFFFAOYSA-N 374.400 3.521 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1C(=O)O 13348700 VOGNEYKFRANDME-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB Cc1c(Cl)ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c1Cl 32601620 UTRHWYLSIOEKNE-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB CCCCn1c(O)c(C(=O)Nc2ccccc2F)c(=O)c2ccccc21 5737780 BGAVXJUPAMLXLB-UHFFFAOYSA-N 354.381 3.899 0 40 FHAB COc1ccc(S(=O)(=O)N(Cc2cccnc2)C2CC2)c2ccccc12 40093701 XDIPJTVDILILHH-UHFFFAOYSA-N 368.458 3.597 0 40 FHAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc3c(ccc4ccccc43)[nH]2)no1 31408733 UBRBTMHTFHNKFO-LBPRGKRZSA-N 363.373 3.802 0 40 FHAB O=c1c(C(F)(F)F)cccn1Cc1nnc(-c2ccc(Cl)cc2)o1 31813544 GQBRQYIPKSIPHU-UHFFFAOYSA-N 355.703 3.619 0 40 FHAB OCCNCc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 20876417 ROBRLNQPZFOUEE-UHFFFAOYSA-N 370.674 3.763 0 40 FHAB O=C(OCc1csc(-c2ccccc2)n1)[C@H]1COc2ccccc2O1 2658359 NDIPZULANHCLRF-QGZVFWFLSA-N 353.399 3.693 0 40 FHAB CC(C)n1c(N2CCN(C(=O)c3cccs3)CC2)nc2ccccc21 1379875 MHHTWKBDNUUNRL-UHFFFAOYSA-N 354.479 3.641 0 40 FHAB O=C(O[C@@H](C(=O)NCc1cccs1)c1ccc(F)cc1)c1ccco1 1381209 GEBHVYOUUKPLHS-MRXNPFEDSA-N 359.378 3.695 0 40 FHAB COC(=O)CCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1 2383304 UJRDRFZCRQNLJM-UHFFFAOYSA-N 353.422 3.529 0 40 FHAB CCOC(=O)c1ccoc1COC(=O)c1csc(-c2ccsc2)n1 32776546 CABMYWWDKGNJSZ-UHFFFAOYSA-N 363.416 3.998 0 40 FHAB COc1ccc(-c2nnc(NC(=O)C(Cl)(Cl)Cl)s2)cc1 9062359 URIPIODSAPFCTJ-UHFFFAOYSA-N 352.630 3.522 0 40 FHAB C[C@@H]1C[C@H](OC(=O)c2cc3sc(Nc4ccccc4)nc3s2)C(=O)O1 32850670 YDJSBMUDKCSLGQ-KOLCDFICSA-N 374.443 3.962 0 40 FHAB O=C(NOCc1ccccc1)c1nccnc1-c1nc2ccccc2s1 32820609 YQZJTGVYIQPIDZ-UHFFFAOYSA-N 362.414 3.615 0 40 FHAB Cc1ccc(Nc2nc(COC(=O)c3cc(CO)oc3C)cs2)cc1 32850620 UOMBHYNZUOYXBC-UHFFFAOYSA-N 358.419 3.946 0 40 FHAB CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1c(F)cccc1Cl)CC(=O)N2 4944262 DMQTWGDDKHWJTI-MRVPVSSYSA-N 367.833 3.539 0 40 FHAB COc1ccc(-c2ccnc(SCC(=O)N3CCC(C)CC3)n2)cc1 4967887 RUAQRLFBSADNPR-UHFFFAOYSA-N 357.479 3.503 0 40 FHAB NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 6316412 YNUZXWSAXIZWFA-UHFFFAOYSA-N 358.463 3.634 0 40 FHAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC(C)C)ccc2Cl)c1 6553312 PGAYANDWWVTRIJ-UHFFFAOYSA-N 366.870 3.587 0 40 FHAB COC(=O)c1ccccc1NC(=O)c1cccc(OCc2cscn2)c1 8327180 MHHZKFMRDVYESY-UHFFFAOYSA-N 368.414 3.761 0 40 FHAB CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@@H](c2ccc(C(F)(F)F)cc2)C1 8556854 QCXSJRUEERTHEK-CHWSQXEVSA-N 359.344 3.741 0 40 FHAB CCCC(=O)NCc1nc2ccccc2n1CC(=O)c1ccc(Cl)cc1 2721279 LNASKXCJSRCGJO-UHFFFAOYSA-N 369.852 3.989 0 40 FHAB O=C1c2cccc3cccc(c23)C(=O)N1CCCN1CCc2ccccc21 12374388 UGEBZMQEFNWWGG-UHFFFAOYSA-N 356.425 3.889 0 40 FHAB COc1cc(CCC(=O)N[C@@H](C)CCc2ccccc2)cc(OC)c1OC 23053408 FDCUMEDXMKZHFW-INIZCTEOSA-N 371.477 3.783 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@H](c1ccc(Cl)cc1)N1CCOCC1 23234455 FCENRBPUNLDAOK-IBGZPJMESA-N 358.869 3.969 0 40 FHAB O=C(Nc1cc(CC2CCCCC2)n[nH]1)c1ccc(N2CCOC2=O)cc1 104858804 KNLCPKWVYVEJMI-UHFFFAOYSA-N 368.437 3.741 0 40 FHAB Cc1cccc(NC(=O)N2CCN(Cc3nc4ccccc4s3)CC2)c1 23844973 BZFAZLDLTHIBQL-UHFFFAOYSA-N 366.490 3.954 0 40 FHAB O=C(N[C@H](Cc1ncc[nH]1)c1ccccc1)c1cccc(Br)c1 12539992 GLXVVPZXCFOIPY-MRXNPFEDSA-N 370.250 3.886 0 40 FHAB Cc1nn(C)c(C)c1CC(=O)Nc1cccc(NC(=O)c2cccs2)c1 24033709 FFPFGVUCLBPBMS-UHFFFAOYSA-N 368.462 3.532 0 40 FHAB C[C@@H](O)[C@]1(O)CC[C@H]2[C@@H]3CC[C@@]4(C)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118915096 UUNZVNLAFCAUHR-STDVZNEDSA-N 350.543 3.892 0 40 FHAB CCOc1c(Cl)cc(CNC[C@@H]2COc3ccccc3O2)cc1OC 25261808 ASPXMAYWNPQPHV-CQSZACIVSA-N 363.841 3.677 0 40 FHAB CCN(CC)c1ccc(NC(=O)CCCNC(=O)c2ccsc2)cc1 12545359 RGLPGJNCAYXFDO-UHFFFAOYSA-N 359.495 3.743 0 40 FHAB C[C@@H]1CN(Cc2csc(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)n2)C[C@@H](C)O1 107134214 XVUHSBOELMAKFU-OWYFMNJBSA-N 363.527 3.517 0 40 FHAB O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2 3233281 ILCZIEJAVJVUQF-UHFFFAOYSA-N 353.157 3.762 0 40 FHAB Cc1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1NS(C)(=O)=O 10366353 LHIMVRSDPFLAJQ-UHFFFAOYSA-N 372.368 3.638 0 40 FHAB COc1ccc(-n2ccnc2S[C@@H](C)C(=O)NCc2ccccc2)cc1 10871609 JCKUEWRYOQSCMV-HNNXBMFYSA-N 367.474 3.678 0 40 FHAB CCOC(=O)c1ccc2nc(NC(=O)C(C)(C)Br)sc2c1 20133239 BMCSJGPMIKIENN-UHFFFAOYSA-N 371.256 3.585 0 40 FHAB CCOc1ccc2cc(C(=O)N3CCC(N4CCCCC4)CC3)[nH]c2c1 58192650 COIGSDMBHZHJQW-UHFFFAOYSA-N 355.482 3.657 0 40 FHAB COc1cccc2cc(C(=O)OCc3nc4ccccc4s3)c(=O)oc12 58265254 YOPLAIKOFSBJPP-UHFFFAOYSA-N 367.382 3.768 0 40 FHAB Cc1ncc(CN(C)C(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)s1 58282567 OQPYAYKDNKZHRJ-ZIAGYGMSSA-N 374.510 3.729 0 40 FHAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccccc1C(=O)c1ccccc1 27935944 QKTBIFGYCFDWJS-UHFFFAOYSA-N 373.334 3.772 0 40 FHAB COc1ccccc1[C@@H]1C[C@@H](c2ccccc2Cl)Nc2nc(N)nn21 2323368 VGTMWWUFYNXJNJ-GJZGRUSLSA-N 355.829 3.669 0 40 FHAB CC1CCN(c2nnc(SCC(=O)c3ccc(F)cc3)n2C2CC2)CC1 11378733 LQYVUDDJFRPJQR-UHFFFAOYSA-N 374.485 3.963 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)N[C@H](C)c1ccc(F)c(F)c1 48325020 JMVRNAQVXPASBZ-SNVBAGLBSA-N 363.364 3.815 0 40 FHAB CCCn1nc(C(=O)Oc2c(C)ccc(C)c2C)c2ccccc2c1=O 3473778 RXAFLGKSNHRYJJ-UHFFFAOYSA-N 350.418 3.951 0 40 FHAB COc1ccc(NC(=O)CN2C(=O)C(C)(C)c3cc(Cl)ccc32)cc1 64845970 UMROJLBUCDTUPS-UHFFFAOYSA-N 358.825 3.612 0 40 FHAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccnc1-n1cncn1 39551970 YECOZBQISHVUKC-UHFFFAOYSA-N 367.718 3.587 0 40 FHAB Cc1cccc(C)c1NC(=O)CNC(=O)c1cc2c(s1)CC[C@H](C)C2 5273318 NRLOUJKEDJZFMW-LBPRGKRZSA-N 356.491 3.858 0 40 FHAB CCOc1ccc(C(C)=O)cc1COC(=O)Cc1ccc(OC)c(OC)c1 6424315 UFURAHPFBSISQI-UHFFFAOYSA-N 372.417 3.591 0 40 FHAB O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1cccc(Cl)c1 14180156 DBEPFGZCWKPUIO-UHFFFAOYSA-N 361.810 3.823 0 40 FHAB CC(=O)Nc1ccc(N[C@@H]2SC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 4513464 IJAIRKODWJXUMV-QGZVFWFLSA-N 369.446 3.900 0 40 FHAB CCOC(=O)c1ccc(O[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc1 5429047 QXHXNGKADRLECB-YWZLYKJASA-N 367.445 3.824 0 40 FHAB Cc1cc(C)c(NC(=O)CNC(=O)Cn2c(C)cc3ccccc32)c(C)c1 9157405 BGHLDSGAJMDGAV-UHFFFAOYSA-N 363.461 3.630 0 40 FHAB CCOc1ccc(N2C[C@@H](C(=O)NC3CCC(CC)CC3)CC2=O)cc1 408706707 COMRLDVRKSGTLC-CGZBRXJRSA-N 358.482 3.523 0 40 FHAB COc1ccccc1CNC(=O)CSc1cc(C)c2ccccc2n1 6623614 QDYURHHNHVEFDB-UHFFFAOYSA-N 352.459 3.960 0 40 FHAB O=C(NCCCCc1ccccc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 408706688 CHPKMGKZJUBDRC-KRWDZBQOSA-N 370.880 3.832 0 40 FHAB O=C(Cc1c(F)cccc1Cl)NC[C@@H](c1ccco1)N1CCCC1 5704787 SPKIJRXRWGGHJN-INIZCTEOSA-N 350.821 3.568 0 40 FHAB CCCC[C@H]1C[C@@](C)(C(=O)CSc2nc(-c3ccccc3)n[nH]2)OC1=O 5849792 QYUGBJNYJPZQLB-LIRRHRJNSA-N 373.478 3.645 0 40 FHAB CCc1nc2ccccc2c(C(=O)O[C@@H](C)C(=O)NCc2ccco2)c1C 4977594 CJQUEXWLASUXAI-AWEZNQCLSA-N 366.417 3.560 0 40 FHAB CC(=O)Nc1cccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1 7053976 MKFQGIDQKFUNSJ-UHFFFAOYSA-N 360.479 3.988 0 40 FHAB C[C@@]1(C(=O)Nc2ccc(N3CCCCC3)cc2)Cc2ccccc2C(=O)O1 7104855 CCWSQRNSSRUMCN-QFIPXVFZSA-N 364.445 3.787 0 40 FHAB CC(C)C(=O)NCCCc1nc2ccccc2n1CCOc1ccccc1 7547240 PXCQUTNDYNULHV-UHFFFAOYSA-N 365.477 3.820 0 40 FHAB COc1ccccc1[C@@H](N[C@H]1CCCc2[nH]c(=O)ccc21)c1ccco1 90534825 XAMXHYUJZVWMNK-LAUBAEHRSA-N 350.418 3.733 0 40 FHAB CCCNC(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7872838 MYZUDZSJQJQCEZ-GFCCVEGCSA-N 369.494 3.768 0 40 FHAB CCn1c(SCC(=O)NCCc2ccc(F)cc2)nc2ccccc21 8391225 UDIFGNQWGROSPZ-UHFFFAOYSA-N 357.454 3.646 0 40 FHAB CC1CCN(C(=O)[C@@H](C)N2CC=C(c3c[nH]c4ccccc34)CC2)CC1 89929929 DEJAQPBNUWDRLR-QGZVFWFLSA-N 351.494 3.904 0 40 FHAB Cc1nc([C@H]2CCCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)C2)no1 75582545 HJOYNZABOVASBK-ZDUSSCGKSA-N 363.845 3.595 0 40 FHAB O=C(O[C@H](c1ccccc1)c1ccncc1)c1ccc(N2CCNC2=O)cc1 95385775 FYJLPHDFZKHWOY-HXUWFJFHSA-N 373.412 3.558 0 40 FHAB Cc1cccc(C)c1NC(=O)CNC(=O)C(C)(C)c1cccc(Cl)c1 78172318 XPANXONHVXQNCM-UHFFFAOYSA-N 358.869 3.989 0 40 FHAB Cc1cc(C)c(OCC(=O)Nc2cccc(-c3nnc(C)n3C)c2)c(C)c1 95430961 RLUJWIDUTIRTPB-UHFFFAOYSA-N 364.449 3.733 0 40 FHAB O=c1[nH]c2c(c(=O)n1Cc1ccccc1)C1(CCCC1)Cc1ccccc1-2 27534040 AWRZBKFBMVOVFS-UHFFFAOYSA-N 358.441 3.620 0 40 FHAB O=C1Nc2ccccc2S/C1=C\c1ccc(I)o1 409094055 CVZYPJLUSPAHEJ-XFFZJAGNSA-N 369.183 3.970 0 40 FHAB C[C@@H]1CCC[C@@H]2C1=NN(C(=O)c1ccccc1Cl)[C@@]2(O)C(F)(F)F 409174857 WGRJPBDCBYVECI-OSQNNJELSA-N 360.763 3.839 0 40 FHAB CN(C)Cc1cc(C[C@@H]2C[C@H](NC(=O)Nc3ccccc3)C2(C)C)no1 67889791 HJZWZUQOWDRDNZ-KDOFPFPSSA-N 356.470 3.515 0 40 FHAB biogenic,in-vitro Cc1ccc(C)c(N2C(=O)C[C@@H](Nc3ccc(Br)cc3)C2=O)c1 36635490 VHYMFNLMGBDYHG-OAHLLOKOSA-N 373.250 3.810 0 40 FHAB CCc1ccccc1O[C@H](C)C(=O)N1CCN(c2ccccc2F)CC1 30755108 MKAYHTCXOCLVMK-MRXNPFEDSA-N 356.441 3.504 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1nc(-c2ccc(C)cc2)no1 219328723 JUVSTVWIIGABKO-KRWDZBQOSA-N 369.396 3.658 0 40 FHAB Nc1cccc([C@H](C(=O)O)C(=O)OCC2c3ccccc3-c3ccccc32)c1 71791530 XEPCGBYMRBSJLW-OAQYLSRUSA-N 373.408 3.793 0 40 FHAB C[C@H]1[C@@H](c2ccccc2O)c2cc3c(cc2O[C@@H]1N1CCCC1)OCO3 31861140 JKQJZONEAFJYTO-ZEWGMFERSA-N 353.418 3.703 0 40 FHAB COc1ccc(S(=O)(=O)NCCSCc2ccccc2)cc1Cl 30324253 LKFXKLDTSIEAFB-UHFFFAOYSA-N 371.911 3.560 0 40 FHAB CCOCCCNc1ncc(-c2cc(C)no2)c(-c2cccnc2C)n1 72336756 KCHWOSGMHXSFKZ-UHFFFAOYSA-N 353.426 3.649 0 40 FHAB Cc1noc(C2CC2)c1NC(=O)N1CC[C@@]2(CC(=O)c3ccccc3O2)C1 562790702 VTDGVWLTPJTCSD-HXUWFJFHSA-N 367.405 3.502 0 40 FHAB S=C(Nc1ccccc1Cl)NC1CCN(Cc2ccccn2)CC1 44222016 WVAWOFBGSPBPTH-UHFFFAOYSA-N 360.914 3.686 0 40 FHAB CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(Cc2ccc(C)c(C)c2)CC1 567933077 HIGHRVJWAJVDAJ-NRFANRHFSA-N 358.526 3.635 0 40 FHAB COc1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)cc1C(C)C 224635876 GJGULRVVXLPFPT-UHFFFAOYSA-N 367.898 3.993 0 40 FHAB COc1ccc(NC(=O)C2(C)COC(c3ccccc3OC)OC2)c(C)c1 225921382 GRTKFPULIKMICF-UHFFFAOYSA-N 371.433 3.703 0 40 FHAB O=c1ccc(-c2ccccc2)nn1CN(Cc1ccc(F)cc1F)C1CC1 48366995 CUHPSZNXZBYAFT-UHFFFAOYSA-N 367.399 3.811 0 40 FHAB COc1cc2c(cc1S(=O)(=O)N[C@@H](C)c1ccc(C)cc1)CCCC2 224175376 KQZXYWIKLCWISV-HNNXBMFYSA-N 359.491 3.922 0 40 FHAB CN(C)c1cccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c1 40082301 PNGBRIDXFKGEKM-NRFANRHFSA-N 374.488 3.805 0 40 FHAB CCc1ccc(NC(=S)NCc2ccc(OC)c(OC)c2OC)cc1 44252013 IDWNKYMYXHCIRO-UHFFFAOYSA-N 360.479 3.761 0 40 FHAB Fc1ccc(NC(=S)N2CCN(C3CCSCC3)CC2)cc1Cl 225216788 JBIMQBGONLEQDN-UHFFFAOYSA-N 373.950 3.689 0 40 FHAB Cc1cccc(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)c1 224674585 TYCAJNXZKGBXML-KRWDZBQOSA-N 370.468 3.619 0 40 FHAB Cc1nc(Nc2ncccc2C)cc([C@@H]2CCCN2Cc2c[nH]nc2C)n1 257315905 VDFFSPPVMRDMGY-SFHVURJKSA-N 363.469 3.601 0 40 FHAB Cc1cc(F)ccc1C[C@@H](C)NC(=O)c1cncc(OCC(F)F)c1 1261778073 XLGOHBQLPLKHGR-GFCCVEGCSA-N 352.356 3.534 0 40 FHAB CN1CCC(N(C(=O)Cc2ccc(-n3cccn3)cc2)c2ccccc2)CC1 601961748 IFAQQHZVURGPJX-UHFFFAOYSA-N 374.488 3.542 0 40 FHAB CC(C)C(=O)N1CCC[C@@H]2CN(C(=O)c3cccc4c3CCCC4)CC[C@@H]21 1775990808 HONODSWXACYYQJ-NQIIRXRSSA-N 368.521 3.675 0 40 FHAB COC(=O)c1ccc(CNc2cccc(-c3ncc4n3CCCC4)c2)n1C 1308386752 NHWWJJWVKWQDHB-UHFFFAOYSA-N 364.449 3.624 0 40 FHAB O=C(NCc1nccnc1-c1cccs1)C1(c2ccc(F)cc2)CC1 575619853 GQTICVWAVYMXDO-UHFFFAOYSA-N 353.422 3.692 0 40 FHAB O=C(CC1CCCCC1)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585111212 JIJPCDXETMFGSD-FQEVSTJZSA-N 367.493 3.632 0 40 FHAB Cc1ccc(NC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1-n1cnnn1 44246645 DGIJOHIMQNPSSB-LBPRGKRZSA-N 356.817 3.507 0 40 FHAB Cc1cccc(CN2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)c1 1615123227 SCZDQDARWXTBHL-UHFFFAOYSA-N 368.452 3.532 0 40 FHAB CCC(=O)N1CC[C@@H](NCc2ccc(-c3scnc3C)cc2)[C@H](C)C1 1616044663 OIJPSHGOWLSDCE-RDTXWAMCSA-N 357.523 3.855 0 40 FHAB CC(C)(C)C(=O)N1CCC(c2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 12157815 IDLANVSBVHUYKU-UHFFFAOYSA-N 373.522 3.616 0 40 FHAB O=C(c1ccccc1F)N1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1 12184689 SRZHQVKEXPJDEP-UHFFFAOYSA-N 374.799 3.864 0 40 FHAB CC(C)CC(=O)N1C[C@H]2CCCN(Cc3ccnc4ccccc34)[C@H]2C1 12220124 MOEPTMZKFCVASX-NQIIRXRSSA-N 351.494 3.704 0 40 FHAB O=C(Cc1nc2ccccc2[nH]1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 12221919 GYALBOLCMWTMIJ-GOSISDBHSA-N 359.433 3.736 0 40 FHAB CC[C@H](CN1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccccc1 12239705 GBGIAMASRSGOEJ-QGZVFWFLSA-N 357.523 3.652 0 40 FHAB O[C@@H](CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 12292062 LVVWCHCVHBNFKM-SFHVURJKSA-N 365.395 3.722 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccoc3)cc2)cc1C 12544805 HZMDYNCKEWLQBM-UHFFFAOYSA-N 370.430 3.950 0 40 FHAB O=C(Cc1c(Cl)cccc1Cl)NCc1ccc2c(c1)OCCO2 12977342 WRJYGIXKSSRPFY-UHFFFAOYSA-N 352.217 3.624 0 40 FHAB NC(=O)c1cc2ccccc2nc1[C@H]1CCCN(C(=O)CC2CCCC2)C1 13267531 OKULGLDMRHOLOA-KRWDZBQOSA-N 365.477 3.620 0 40 FHAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2C(C)C)cc1 14397836 VBLHWJUWHXTALG-UHFFFAOYSA-N 360.479 3.848 0 40 FHAB Cc1ccc(C(=O)N2CCC[C@@H]2c2nnc(-c3scnc3C)o2)cc1 19135361 ZHTLZPAKJKSTPK-CQSZACIVSA-N 354.435 3.787 0 40 FHAB O[C@@]1(c2ccccc2)CCN(Cc2cccc(OCc3cccnc3)c2)C1 19369773 OOJLCXLYARXGMK-QHCPKHFHSA-N 360.457 3.754 0 40 FHAB CCn1c(CNC(=O)C[C@@H](C)n2nc(C)c(Cl)c2C)nc2ccccc21 19524343 YBVAXWVOSCBJDA-GFCCVEGCSA-N 373.888 3.790 0 40 FHAB NC(=O)c1[nH]c([C@H]2CCCN(CCc3ccccc3)C2)nc1-c1ccccc1 19698971 UITZJFORXFMDGY-IBGZPJMESA-N 374.488 3.598 0 40 FHAB C#CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1 6295364 ISQITWSNWMVPTB-XDHOZWIPSA-N 374.421 3.807 0 40 FHAB COc1ccc(C(F)(F)F)cc1NC(=O)c1cc2c(nn1)CCCC2 1889122718 NMANRQCJCXFBDO-UHFFFAOYSA-N 351.328 3.635 0 40 FHAB CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cc2ccc(F)cc2[nH]1 1848357060 XEHPYVSLBKYCTJ-DZJZLKLXSA-N 355.457 3.784 0 40 FHAB COc1ccc([C@H]2N=C(S)NC3=C2CCc2ccccc23)cc1OC 2484634 UPWWMFGRFVAGGJ-GOSISDBHSA-N 352.459 3.991 0 40 FHAB C[C@@H](NC(=O)CCc1csc(NC(=O)c2ccco2)n1)c1ccccc1 11835268 SKBRBUYUBRAOJW-CYBMUJFWSA-N 369.446 3.798 0 40 FHAB C=Cc1ccc(COC(=O)c2nnn(-c3ccccc3OCC)c2C)cc1 16845717 QUBWCKVPWXBWMM-UHFFFAOYSA-N 363.417 3.974 0 40 FHAB COc1ccc(-c2ncnc3c2CN(C(=O)[C@@]2(C)CC=CCC2)CC3)cc1 2055771695 RCOCSFYOMHQFGU-QFIPXVFZSA-N 363.461 3.783 0 40 FHAB CN1CCCC[C@@H]1C1CCN(C(=O)c2cnc(Cl)cc2Cl)CC1 2055772497 NSNWBFMRGHAQFV-OAHLLOKOSA-N 356.297 3.725 0 40 FHAB CO[C@H](CCSC)CNC(=O)NC(c1ccccc1)c1ccccc1 1775966901 NVNDHBHRAOEOOG-GOSISDBHSA-N 358.507 3.843 0 40 FHAB Cn1nc(CN(Cc2ccco2)C(=O)c2cccc(Cl)c2)c2c1CCC2 217902797 RZLWGKHBLLWQML-UHFFFAOYSA-N 369.852 3.998 0 40 FHAB COc1ccc(/C=C/C(=O)N2CCC[C@@H](Oc3ccncc3Cl)C2)cc1 575614061 VVWHLRPGFMZXBM-RCMYXZNBSA-N 372.852 3.827 0 40 FHAB O=C(O)c1cc(S(=O)(=O)Nc2cccc3ccccc23)ccc1Cl 13340220 XQXFQIHIWOMIOO-UHFFFAOYSA-N 361.806 3.992 0 40 FHAB CN(C(=O)Cc1csc(N2CCCC2=O)n1)c1ccc2ccccc2c1 31001402 RUGLHCRLDHSFCY-UHFFFAOYSA-N 365.458 3.629 0 40 FHAB CCc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(C)cc1Cl 40478670 SNEDVIJSGFDRNH-UHFFFAOYSA-N 355.825 3.559 0 40 FHAB CCCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2)c2ccccc21 20722319 CIGPCGAHSFYWDW-QFIPXVFZSA-N 372.428 3.907 0 40 FHAB CCn1c(SC[C@@H](O)c2ccccc2)nnc1-c1ccccc1OC 11810635 GFPIOVOLTAPMLU-MRXNPFEDSA-N 355.463 3.799 0 40 FHAB CCNC(=S)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 883286 RIQCFFSVYSLQMX-UHFFFAOYSA-N 357.523 3.866 0 40 FHAB COc1cc(OC)cc(-c2nnc(SCC(=O)c3ccc(F)cc3)o2)c1 929495 GOAWOCJEQJACRW-UHFFFAOYSA-N 374.393 3.868 0 40 FHAB C[C@H](OC[C@@H](O)CN(C)CCOc1ccccc1)c1ccc(Cl)cc1 2639428 OCSMUQVEZDDREZ-LPHOPBHVSA-N 363.885 3.789 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)c2cc(Cl)c(C(=O)O)cc2Cl)cc1 1728062 BZRDDTKDBGEWSW-UHFFFAOYSA-N 374.245 3.825 0 40 FHAB CCC(CC)c1nnc(NC(=O)CCNC(=O)c2ccccc2C)s1 32768198 MJLJCTHUBRBUIA-UHFFFAOYSA-N 360.483 3.509 0 40 FHAB CCc1cccc(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)c1 21584066 KPHFORRILSWRSM-GOSISDBHSA-N 358.507 3.930 0 40 FHAB CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC 4804530 NMLUOJBSAYAYEM-QALMDFCDSA-N 368.477 3.817 0 40 FHAB CC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)c(C)c1 6051889 ZMCNERSFXNLKKT-UHFFFAOYSA-N 362.223 3.978 0 40 FHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(C(F)(F)F)cc1 6310036 URTOEMXQYPKMLL-UHFFFAOYSA-N 354.303 3.555 0 40 FHAB CC[C@H](C)Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 6555303 YTSBOFVZWQJCQY-NSHDSACASA-N 358.463 3.765 0 40 FHAB CSc1ncc(Cl)c(C(=O)N(Cc2ccccc2F)C2CC2)n1 37164387 DQIPNOCPAJIGLQ-UHFFFAOYSA-N 351.834 3.796 0 40 FHAB COc1cccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3C)CC2=O)c1 8247857 ZLSWPJXTIPWIIM-ZDUSSCGKSA-N 358.825 3.649 0 40 FHAB Cc1cccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c(C)c2)c1 8413227 DEANFNVFBHICAG-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB CCSc1ccccc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 8479543 AYKLWGKBGDOKPN-UHFFFAOYSA-N 367.474 3.849 0 40 FHAB C[C@H]1c2cccc(C(=O)N3CCN(Cc4ccccc4)CC3)c2O[C@@H]1C 22696538 ULQMHNYBKBCHFS-IAGOWNOFSA-N 350.462 3.529 0 40 FHAB C[C@H](c1nnc(-c2cccs2)o1)N1CCN(Cc2ccccc2)CC1 22802372 VFCSATDKTKXXGX-OAHLLOKOSA-N 354.479 3.677 0 40 FHAB COc1ccc(OC)c(CN2CCC(N(C)Cc3ccccc3)CC2)c1 54992001 UBPOCWQFOXLSCL-UHFFFAOYSA-N 354.494 3.800 0 40 FHAB Cc1cccc(OCCNC(=O)CNc2ccc3c4c(cccc24)CC3)c1 24040949 DSJUCMDDDSMRHN-UHFFFAOYSA-N 360.457 3.854 0 40 FHAB Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccco3)[C@H]2C1=O 102761325 GDRZUJHCHDPAKO-HSALFYBXSA-N 374.396 3.639 0 40 FHAB O=C1CS[C@H](c2ccccc2)C(=O)N1c1ccc(Br)cc1 1400572 ORZRXERNZPGWRS-OAHLLOKOSA-N 362.248 3.797 0 40 FHAB C[C@@H](SCCOc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 25217975 GRGGRTXVOWFKBZ-CQSZACIVSA-N 359.447 3.597 0 40 FHAB COC(=O)Cc1csc(NC(=O)/C=C/c2cccc3ccccc23)n1 56135821 NVJAXBZNPJJKSQ-MDZDMXLPSA-N 352.415 3.664 0 40 FHAB COCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1 110214439 PACQYJCCCZHWNA-UHFFFAOYSA-N 369.461 3.707 0 40 FHAB O=C(COC(=O)CCc1ccccc1)Nc1ncc(Cl)cc1Cl 3264621 KKJUIANMJODTIK-UHFFFAOYSA-N 353.205 3.503 0 40 FHAB CC(=O)Nc1ccc(N[C@H]2SC(=O)N(c3cccc(C)c3)C2=O)cc1 2239936 ZEAGXLKNCGDNJE-INIZCTEOSA-N 355.419 3.591 0 40 FHAB Cc1ccc(N2C[C@@H](C(=O)N[C@H](C)c3ccccc3Cl)CC2=O)cc1 12798260 KOEWUBAKBWZJDD-CABCVRRESA-N 356.853 3.879 0 40 FHAB CCOC(=O)C1CCN(c2ncnc3c2oc2ccc(Cl)cc23)CC1 2404402 BVTLOWWZKVIBGC-UHFFFAOYSA-N 359.813 3.809 0 40 FHAB Cc1cccc(-c2nnc(S)n2CCC(=O)N[C@H](C)c2ccccc2)c1 12783665 QAZQWCRSFALXDO-OAHLLOKOSA-N 366.490 3.810 0 40 FHAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(-n3cncn3)c(F)c2)cc1 48312706 DFFYPFUWJBMWPH-CYBMUJFWSA-N 374.441 3.721 0 40 FHAB O=C(CNc1cccc2c1CCCC2)Nc1ccc(N2CCCC2=O)cc1 11549592 DARPLCCVFXPCJI-UHFFFAOYSA-N 363.461 3.743 0 40 FHAB CCc1cccc(C)c1NC(=O)CCN1C(=O)[C@H](C)Oc2ccccc21 12855731 ARVFFYASGTYQSC-HNNXBMFYSA-N 352.434 3.700 0 40 FHAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1cc(=O)c2ccccc2o1 3472417 PACMBLDVQNQUJB-UHFFFAOYSA-N 371.776 3.550 0 40 FHAB CC[C@H](NC(=O)CN(C)Cc1ccco1)c1ccc(Br)cc1 12919921 MXGPEZDBYWUSJT-INIZCTEOSA-N 365.271 3.741 0 40 FHAB COC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@H]1c1cccc(C)c1 12905179 MNBQGWBGPZKPRB-KRWDZBQOSA-N 356.447 3.770 0 40 FHAB CCc1ccc(N2C[C@@H](c3nc(-c4ccccc4F)no3)CC2=O)cc1 13036968 FXSFTHXIYIHRJZ-AWEZNQCLSA-N 351.381 3.959 0 40 FHAB CSc1ccc([C@@H]2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)cc1 8739504 MOXUPNHZVMSDJQ-HNNXBMFYSA-N 363.442 3.633 0 40 FHAB O=S(=O)(NCc1ccccc1)c1ccc(-c2nc3ccccc3o2)cc1 38932055 JEDWWLSWXRPAOB-UHFFFAOYSA-N 364.426 3.973 0 40 FHAB CSc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)O)cs1 64374803 WCIPPVYMVOZTOG-UHFFFAOYSA-N 363.869 3.622 0 40 FHAB O=C(COc1ccc2c(c1)OCO2)NC(c1ccccc1)c1ccccc1 6128755 VZUAKGQDGZHADD-UHFFFAOYSA-N 361.397 3.700 0 40 FHAB O=C1/C(=C\Nc2ccc(Cl)cc2)[S@](=O)CN1c1ccc(Cl)cc1 5253150 YWLGNKACSYFCGI-ARKLPKAPSA-N 367.257 4.000 0 40 FHAB O=C(NCc1cc(-c2ccccc2)on1)c1cnc(-c2ccccc2)nc1 65567185 WNXVLFDCCSQHMA-UHFFFAOYSA-N 356.385 3.729 0 40 FHAB Cc1cccc(Oc2ccc(NC(=O)CNC3CCC(O)CC3)cc2)c1 14135952 HFVCHAQMUUKNJV-UHFFFAOYSA-N 354.450 3.619 0 40 FHAB c1cncc(-c2ccc3nc([C@@H]4CCCN(Cc5ccoc5)C4)nn3c2)c1 306134968 ODAVYHJFNPOGIZ-LJQANCHMSA-N 359.433 3.764 0 40 FHAB COc1ccc([C@@H](NC(=O)COc2ccc(C(C)=O)cc2)C(C)C)cc1 14201899 UMPKXEPUOWUGCC-NRFANRHFSA-N 355.434 3.790 0 40 FHAB O=C(CSc1ncccn1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 6589792 JHLXUCNTSFYMMI-CYBMUJFWSA-N 370.459 3.601 0 40 FHAB COc1ccc2[nH]c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2c1 4747627 YSFHORWGGGZDDE-UHFFFAOYSA-N 369.852 3.792 0 40 FHAB COc1ccc(Cc2nnc(SCC(=O)c3ccccc3)o2)cc1OC 4943139 HDQIEZYCIGXENM-UHFFFAOYSA-N 370.430 3.653 0 40 FHAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(Cl)cc1F 15610067 XARXFVFZWBEWED-UHFFFAOYSA-N 364.804 3.589 0 40 FHAB COc1ccc(C(=O)CSc2nnc(-c3ccco3)n2C)cc1Cl 7393662 KQROGSVHMXOZLO-UHFFFAOYSA-N 363.826 3.712 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 15966748 UDWNQJFNONNLPP-SJORKVTESA-N 366.461 3.542 0 40 FHAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)c1ccc(O)cc1 8255973 BUNYKVDPKWGVQO-UHFFFAOYSA-N 371.487 3.946 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H](C)Sc1nnc(C2CC2)n1C1CC1 8257668 ZMKWIHZYOBXQNO-LBPRGKRZSA-N 372.494 3.927 0 40 FHAB CC(C)[C@@H](NC(=O)N1CCN(c2ccccc2O)CC1)c1cccs1 9796641 OXDWXCZAWIRMLT-GOSISDBHSA-N 359.495 3.683 0 40 FHAB Cc1cc(C)n(CCCNCc2ccc(OCc3ccncc3)cc2)n1 97287394 HRRQDOVLUBNDDL-UHFFFAOYSA-N 350.466 3.654 0 40 FHAB Cc1ccccc1NC(=O)CCN1c2cccc3cccc(c23)S1(=O)=O 72752000 QERCSNUYJBIVEA-UHFFFAOYSA-N 366.442 3.686 0 40 FHAB O[C@H](c1ccccc1NCc1nc(Cc2ccccc2)no1)C(F)(F)F 95464724 ZQEAUTSFDDHTJN-QGZVFWFLSA-N 363.339 3.868 0 40 FHAB Cc1sc2ncc(C(=O)N3CC[C@H](C)C[C@H]3c3ccco3)c(=O)n2c1C 95463103 STGPKULSYWKKOO-NHYWBVRUSA-N 371.462 3.579 0 40 FHAB C[C@@H]1CCCN(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)[C@H]1CO 89868991 GYCCSDVKGLPIBJ-DYVFJYSZSA-N 351.878 3.565 0 40 FHAB COc1ccccc1[C@H](CNC(=O)c1oc2ccc(F)cc2c1C)N(C)C 28232080 ITETXHYKMPOYMC-KRWDZBQOSA-N 370.424 3.922 0 40 FHAB Cc1cc(C)cc(N2CN(CCCN(C)C)CN=C2c2ccccc2)c1 22609060 VPTFHUHEVVZYIV-UHFFFAOYSA-N 350.510 3.739 0 40 FHAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccccc3)cc2)C1=O 409064277 CXKIUZMJJRGFTI-VLURKWGBSA-N 367.426 3.951 0 40 FHAB COCCN1C(=O)S/C(=C/c2ccc(OC(C)C)c(Cl)c2)C1=O 409131159 NKLXFLOVNXQGRN-NTEUORMPSA-N 355.843 3.810 0 40 FHAB Cc1ccc(OCC(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)c(C)c1 33318644 MXHYLWGBHQISSL-UHFFFAOYSA-N 370.840 3.614 0 40 FHAB C[C@@H]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 36006915 HBHJSSIOIPAXOO-XLIONFOSSA-N 372.534 3.725 0 40 FHAB COc1ccc(CC(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 219272769 QEXJNHXRNDHXFM-SFHVURJKSA-N 355.434 3.665 0 40 FHAB COc1ccc2c(ccn2CC(=O)Nc2nc(-c3ccncc3)cs2)c1 72406373 TYSJXVZCNONGSH-UHFFFAOYSA-N 364.430 3.807 0 40 FHAB O=C(CSc1nnc(-c2ccccc2Cl)o1)N[C@H]1C[C@@H]2CC[C@@H]1C2 216032432 IKYCUVQDHMUTNY-GYSYKLTISA-N 363.870 3.787 0 40 FHAB Cc1ccccc1NC(=S)N1CCC(NC(=O)c2cccc(F)c2)CC1 35291797 PCIXPTRAJRBNHY-UHFFFAOYSA-N 371.481 3.725 0 40 FHAB Cc1ccc(CN(C)C(=O)c2ccccc2I)cc1 38757279 IFIJZANZWJWNNI-UHFFFAOYSA-N 365.214 3.872 0 40 FHAB CC(C)c1nnc(NC(=O)c2cc(-c3ccccc3Cl)nn2C)s1 72404842 KHFMOECBGQPYJL-UHFFFAOYSA-N 361.858 3.968 0 40 FHAB COc1ccc2c(c1)c1nnc(SCc3ccc(F)cc3)nc1n2C 35313337 MJEKJKOORPIELJ-UHFFFAOYSA-N 354.410 3.957 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2NCC(C)C)cc1 72213263 QLWSIXIMZISGDK-LJQANCHMSA-N 373.522 3.984 0 40 FHAB Cc1noc([C@@H]2CCCN([C@@H](C(=O)O)c3ccc(Cl)cc3Cl)C2)n1 563893151 UWEIZRRFKAFCFM-QMTHXVAHSA-N 370.236 3.690 0 40 FHAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccc2c(c1)OCO2 225703026 SWGWDWVWHLKNGF-MRXNPFEDSA-N 356.447 3.788 0 40 FHAB Cc1ccc(OCCNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1C 223980456 ZBUPLDOQJXEBTO-UHFFFAOYSA-N 374.289 3.968 0 40 FHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc2c(c1)OCCO2 224079456 UKXRGDOBXJQFDD-AWEZNQCLSA-N 353.418 3.743 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1 223846086 RNYZVYBDVSHFMA-QGZVFWFLSA-N 370.468 3.702 0 40 FHAB COc1cccc(OCCNC(=O)CSCc2cc(C)cc(C)c2)c1 223401436 HPMUNLBYPBRMJQ-UHFFFAOYSA-N 359.491 3.740 0 40 FHAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 223486674 IBBZAUGJNWXBRK-OAQYLSRUSA-N 366.505 3.524 0 40 FHAB Cc1ccccc1CN1CCC2(CC1)C[C@H](OCc1cccnc1)CO2 96106772 KXAXAPVMMGRVHO-NRFANRHFSA-N 352.478 3.730 0 40 FHAB O=C(c1ccsc1)N1CCc2ncnc(-c3ccc(F)cc3)c2CC1 96255282 DVXCWVATIBXGDQ-UHFFFAOYSA-N 353.422 3.585 0 40 FHAB Fc1ccc(CN2CCOCC23CCN(Cc2ccccc2F)CC3)cc1 96074692 YUPBTMTYNOQWMH-UHFFFAOYSA-N 372.459 3.832 0 40 FHAB Cc1cccc(NC(=O)N2CCc3onc(COc4cccnc4)c3C2)c1 96260066 OXWALQDEHWFGNX-UHFFFAOYSA-N 364.405 3.547 0 40 FHAB Cc1ccnc(OC2CCN(C(=O)C3(c4cccnc4)CCCC3)CC2)c1 583254727 DJKKCNLXVQPCPA-UHFFFAOYSA-N 365.477 3.667 0 40 FHAB COc1ccccc1N1CCN[C@@H](Cc2ccccc2-c2ccccc2)C1=O 257313664 UTOLJYJYGDVZDH-NRFANRHFSA-N 372.468 3.910 0 40 FHAB Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nnc(-c3ccncc3)o2)cc1 257339629 ZCODWZDUUUNMEQ-GOSISDBHSA-N 362.433 3.736 0 40 FHAB COc1ccc(OC)c(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)c1 206169104 FGVGOPIRMCSOFL-GZTJUZNOSA-N 355.415 3.940 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)NCc3nc4ccccc4s3)ccc21 43825624 OTUKRXXMUBKKLK-UHFFFAOYSA-N 366.446 3.527 0 40 FHAB Cc1ncsc1C(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 54885765 UQLKNSLQJDHNPE-GFCCVEGCSA-N 359.476 3.887 0 40 FHAB O=C(CC[S@](=O)Cc1c(F)cccc1Cl)Nc1ccc(F)cc1 58155626 UUOWSDVGPALLDP-HSZRJFAPSA-N 357.809 3.896 0 40 FHAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3O)n[nH]2)c(C)c1 5489102 HBJBQSQWMVHVGT-UHFFFAOYSA-N 354.435 3.525 0 40 FHAB Cc1cc(C)n(CCC(=O)N[C@H](Cc2cccs2)c2nccs2)n1 12225746 ZRIRRQDDWZYDFE-OAHLLOKOSA-N 360.508 3.508 0 40 FHAB CC1(C)Cc2c(cnn2Cc2ccccc2)[C@H](NC(=O)c2cscn2)C1 12239246 IQSKKVRCIPKILR-MRXNPFEDSA-N 366.490 3.831 0 40 FHAB CCC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 12526024 YVAJUYGDTKNICI-CYBMUJFWSA-N 364.442 3.545 0 40 FHAB COc1cccc(CCCNS(=O)(=O)Cc2c(F)cccc2Cl)c1 13612638 ZWKYBNRQJARICB-UHFFFAOYSA-N 371.861 3.540 0 40 FHAB Cn1cc([C@H]2CCCCCN2C(=O)c2cc(-c3ccc(F)cc3)no2)cn1 19290602 KRKTXHCUOASDRQ-GOSISDBHSA-N 368.412 3.972 0 40 FHAB Fc1cccc(CN(Cc2ccnn2[C@@H]2CCCCO2)C[C@@H]2CCCO2)c1 19293772 WKFDTFIGJCVQGL-SFTDATJTSA-N 373.472 3.903 0 40 FHAB O=C(Cc1ccc(F)cc1)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1 19333300 VITIPUAGHVUYAD-IBGZPJMESA-N 364.424 3.907 0 40 FHAB CNc1cc(CC2CCN(Cc3ccnc4ccccc34)CC2)nc(C)n1 19758390 MIFFFWKDIPXXPH-UHFFFAOYSA-N 361.493 3.830 0 40 FHAB O=C(Nc1cccc(Cl)c1Cl)c1cnc(-c2ccccc2)[nH]c1=O 19937231 CQUANBLFOZDZQQ-UHFFFAOYSA-N 360.200 3.996 0 40 FHAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C)o2)cc1 151457093 DGWQXKKSUGDNGO-UHFFFAOYSA-N 369.446 3.996 0 40 FHAB CCN1C(=O)/C(=C\c2ccco2)S/C1=N\c1ccc(C(=O)OC)cc1 8363743 HIIWKGQOLDEHAS-DCOUVPPESA-N 356.403 3.690 0 40 FHAB O=C(N1CC[C@H](n2cc(C3CC3)nn2)C1)C1(c2cccs2)CCCC1 240068161 SLBQXDDEWZTZBS-HNNXBMFYSA-N 356.495 3.502 0 40 FHAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(Br)cc2)[C@@H]1C 5061548 YGNAUPAAUPPCGE-JMSVASOKSA-N 368.271 3.547 0 40 FHAB O=C(c1ccc(F)cc1F)N1CCC(COc2ccncc2Cl)CC1 1889149517 QLQNALGKPSAGBK-UHFFFAOYSA-N 366.795 3.944 0 40 FHAB O=C1N(c2ccccc2)CCCC[C@]12CN(Cc1cccs1)CCO2 2037981082 TZOUGSDEVBQZQD-FQEVSTJZSA-N 356.491 3.536 0 40 FHAB CC[C@]1(C)C[C@](CCNC(=O)CCC(=O)O)(c2ccc(C)cc2)CCO1 4028939 JBKSUNPCAFGEPO-NHCUHLMSSA-N 361.482 3.583 0 40 FHAB biogenic CC(C)CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1cccnc1 4148626 TXXDKVSRGPBDGS-CLOONOSVSA-N 362.410 3.805 0 40 FHAB CCc1cccc2sc(NC(=O)c3ccccc3S(C)(=O)=O)nc12 4517806 JYOGHKBEQMZJSB-UHFFFAOYSA-N 360.460 3.515 0 40 FHAB O=C(NC[C@@H]1CCCN(c2nccs2)C1)c1ccc(-n2cccc2)cc1 206834226 PXSWXRXSPMIQEE-INIZCTEOSA-N 366.490 3.580 0 40 FHAB CCCn1c(O)nnc1SCC(=O)N[C@H](C)c1ccc2ccccc2c1 10438717 QBKZYTJVSQLZTL-CYBMUJFWSA-N 370.478 3.516 0 40 FHAB C[C@H](CNC(=O)Nc1cccc(Cn2cccn2)c1)N(C)c1ccccc1 40105560 FOPPUQNDVSCXDK-QGZVFWFLSA-N 363.465 3.578 0 40 FHAB O=C(CCn1cnc2ccccc21)Nc1cccc(Cl)c1-n1cccn1 40146918 AQDKCJUKZZVYBY-UHFFFAOYSA-N 365.824 3.904 0 40 FHAB Cc1ccc(-n2ncc3c2N=C(O)C[C@]32C(=O)N(C)c3ccccc32)c(C)c1 20739960 IQDXWMRUYAQRJQ-JOCHJYFZSA-N 372.428 3.743 0 40 FHAB C[C@H](NC(=O)[C@@H](C)Oc1cccc(F)c1)c1ccc2c(c1)OCCCO2 32283905 ZRVKIKIRTCJJNR-UONOGXRCSA-N 359.397 3.632 0 40 FHAB C[C@H](Sc1nnc2[nH]c3ccccc3n12)C(=O)NC1CCCCCC1 7199317 LIYYZRPOUJCWGK-LBPRGKRZSA-N 357.483 3.530 0 40 FHAB Cc1noc(C)c1CS[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 29678673 ATBZQDPJYKSMNL-LBPRGKRZSA-N 356.455 3.797 0 40 FHAB CCc1n(C[C@H](O)COc2c(C)cccc2C)c2ccccc2[n+]1CC 781046 ZNSXWPHELDQNOT-SFHVURJKSA-N 353.486 3.568 0 40 FHAB CCCn1c(C)cc(C(=O)COC(=O)c2ccccc2N(C)C(C)=O)c1C 11950469 GARNLERMNLZUEI-UHFFFAOYSA-N 370.449 3.537 0 40 FHAB O=C(CS[C@H]1N=C2C=CC=C[C@H]2O1)c1ccc(Br)cc1 1070082 LBPHRMZUQIYBNE-CABCVRRESA-N 350.237 3.614 0 40 FHAB O=C(NCCCCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 3092275 UBUDURCMPYVXEI-UHFFFAOYSA-N 364.367 3.783 0 40 FHAB COc1ccc(C(=O)N2Cc3cc(OC)c(OC)cc3CC2(C)C)cc1 4170668 TYRFGUXYUJSDHT-UHFFFAOYSA-N 355.434 3.690 0 40 FHAB COC(=O)c1ccc(CNC(=O)[C@H](C)Sc2ccc(F)c(F)c2)cc1 21493054 RBJKKSZEQRTOFI-NSHDSACASA-N 365.401 3.548 0 40 FHAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2C(=O)N1CCCCC1)C1CCCCC1 4388936 WKSPHKXNQUHVEX-YQQQUEKLSA-N 361.530 3.674 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 7382275 VTPRWAPYWOWEIX-IBGZPJMESA-N 352.478 3.728 0 40 FHAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc(C(C)(C)C)cc2)c1 7434011 NNNBUWLISIVTHL-UHFFFAOYSA-N 371.433 3.797 0 40 FHAB Cc1c(C(=O)N2CCc3sccc3C2)cnn1-c1ccc(F)cc1F 32922815 VTTXNFMIYPHUJF-UHFFFAOYSA-N 359.401 3.719 0 40 FHAB CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(C)s2)NC(=O)N1C 2757434 TYWHDHAGOMVDHY-SFHVURJKSA-N 370.474 3.813 0 40 FHAB Cc1c(C(=O)NCC2CCCC2)cnn1-c1ccc(C(F)(F)F)cn1 33054872 XGBQPDLAYHOZIR-UHFFFAOYSA-N 352.360 3.515 0 40 FHAB COc1ccccc1CN1C[C@H]2CCC[C@H](C1)C2(O)c1ccc(C)cn1 100149262 NPDXQYGWODGFKQ-RTBURBONSA-N 352.478 3.518 0 40 FHAB Cc1cc(N2CCOCC2)ccc1NC(=O)c1cc(-c2ccccc2)on1 33186784 AFOXMQUYBPXIHX-UHFFFAOYSA-N 363.417 3.739 0 40 FHAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccco4)[C@H]3C2=O)cc1 100566581 NWAYJQLHBBIFSC-AABGKKOBSA-N 374.396 3.639 0 40 FHAB C[C@@H](OC(=O)c1cccs1)C(=O)N(C)Cc1nc2ccccc2s1 22737424 RWTGXBYNAYPVND-LLVKDONJSA-N 360.460 3.562 0 40 FHAB CN(CC1CCCCC1)C(=O)CNC(=O)c1ccc(Cl)cc1Cl 23099273 KDUQOCBXFJGSMN-UHFFFAOYSA-N 357.281 3.762 0 40 FHAB COC(=O)c1ccc(CNC(=O)Cc2coc3cc4c(cc23)CCC4)cc1 23029021 XGGFHWKJJVAYGB-UHFFFAOYSA-N 363.413 3.567 0 40 FHAB Cc1ccc(-n2cc(C(=O)N3CCC(Cc4ccccc4)CC3)nn2)cc1C 23127108 OLYLYYUIRHRXDO-UHFFFAOYSA-N 374.488 3.979 0 40 FHAB CCOC(=O)Cc1csc(NC(=O)/C=C/c2ccc(Cl)cc2)n1 939560 UHRMQURUMJSXKJ-VMPITWQZSA-N 350.827 3.554 0 40 FHAB Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1C 21915083 YYVXUCCSYQDYNQ-MRXNPFEDSA-N 373.250 3.810 0 40 FHAB COc1ccc(NC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1 23233859 AKMVMEAMLMQSNY-UHFFFAOYSA-N 367.449 3.643 0 40 FHAB CSc1nnc2c(n1)O[C@@H](C)N(C(=O)c1ccccc1)c1ccccc1-2 1007358 MNYNKQILFQZHQJ-LBPRGKRZSA-N 364.430 3.646 0 40 FHAB O=C(COc1ccccc1)Nc1ccccc1C(=O)N1CCCCCC1 1081614 YGVXEHZFZGJAQA-UHFFFAOYSA-N 352.434 3.720 0 40 FHAB O=c1[nH]c(O)nc2c1sc1nc(-c3cccs3)cc(C(F)(F)F)c12 1102168 BQRCAQUGVWMQMC-UHFFFAOYSA-N 369.349 3.986 0 40 FHAB CN(Cc1ccc(F)cc1F)Cn1nc(C2CC2)n(C2CC2)c1=S 24618563 WUAMARNZHBRQBD-UHFFFAOYSA-N 350.438 3.994 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)N1CCN(Cc2ccc(Cl)s2)CC1 24601721 UNSAZHCNDNSZGI-UHFFFAOYSA-N 373.909 3.770 0 40 FHAB O=C([C@@H]1CCCN(Cc2ccco2)C1)N1CCC(Cc2ccccc2)CC1 1458239 FGGSPQOQORSWMW-OAQYLSRUSA-N 366.505 3.973 0 40 FHAB C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(S[C@H]2CCOC2=O)nnc1-c1ccco1 108054409 PTWYQAUXVTZRHT-BLDNINTCSA-N 373.478 3.943 0 40 FHAB NC(=O)N[C@@H](CC(=O)Nc1ccccc1OC1CCCC1)c1cccs1 58217682 MGQMMEBLUIJCAH-HNNXBMFYSA-N 373.478 3.808 0 40 FHAB S=C(NCCc1ccccc1)NC[C@H](c1ccco1)N1CCCCC1 3335614 LAZFFFRIVAOXRY-GOSISDBHSA-N 357.523 3.513 0 40 FHAB CCc1nc2ccccc2c(C(=O)OCC(=O)NCc2cccs2)c1C 3362779 WIGDJTHJCFBMQM-UHFFFAOYSA-N 368.458 3.640 0 40 FHAB O=C(Nc1nc2ccccc2s1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 27985569 FRDQNADSMHTJPV-LLVKDONJSA-N 371.849 3.941 0 40 FHAB Cc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCN(c3ncccn3)C2)cc1C 68123990 DQNBYFQZKMRKIG-PMACEKPBSA-N 364.493 3.674 0 40 FHAB O[C@@H](CN1CCCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1 28264440 JGUKPLVOUZYGOC-FQEVSTJZSA-N 362.876 3.720 0 40 FHAB O=C(O)c1cc(Cl)cc(Cl)c1NS(=O)(=O)c1ccccc1F 3335172 ZLAJEUNNFGHYBJ-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB O=C(COC(=O)c1ccc(Cl)s1)c1ccc(N2CCCC2=O)cc1 7637645 ZFRSKOJPHCBOEV-UHFFFAOYSA-N 363.822 3.568 0 40 FHAB CC(=O)CCc1ccc(OCCC(=O)Nc2ccc(C)c3cn[nH]c23)cc1 58881016 SBZGPIYWNDEMFN-UHFFFAOYSA-N 365.433 3.801 0 40 FHAB CC(=O)N(c1nnc(S[C@H](C)c2nc(C(C)(C)C)no2)s1)C1CC1 48362024 SMXPSNBUIZKWCF-MRVPVSSYSA-N 367.500 3.587 0 40 FHAB Cc1ccc(C)c(SCC(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1 12806520 HZUZOWWMICOHQD-UHFFFAOYSA-N 354.475 3.926 0 40 FHAB CCc1nn2c(=O)cc(COc3c(Cl)cccc3Cl)nc2s1 12917024 ZARCFONRRHGBDP-UHFFFAOYSA-N 356.234 3.599 0 40 FHAB COCCOC(=O)c1sc2nc(-c3cccnc3)nc(Cl)c2c1C 3886955 QVMDFNIEXOEFRQ-UHFFFAOYSA-N 363.826 3.518 0 40 FHAB COc1ccc(CNC(=O)c2ccc(Br)cc2F)cc1OC 7955440 BLRBRFXOUSYILN-UHFFFAOYSA-N 368.202 3.535 0 40 FHAB Cc1noc(C)c1CC(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 7986911 XZMQPDOVPDDTKY-CQSZACIVSA-N 371.462 3.656 0 40 FHAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(-c2cccs2)[nH]c1=O 63912303 KDNWUUAXRQNAFT-CYBMUJFWSA-N 368.458 3.911 0 40 FHAB Cc1nn(-c2ccc(C(=O)N3C[C@@H](C)OCC3(C)C)cc2)c(C)c1Cl 91115249 QNPVCXLUQHENHV-GFCCVEGCSA-N 361.873 3.782 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnnn1-c1ccccc1 5035442 LIQXYUHTGQGLDG-ZDUSSCGKSA-N 363.446 3.816 0 40 FHAB Cc1ccc(NC(=O)CSc2nc3cc(Cl)cnc3[nH]2)cc1F 6187945 CYTTXEBPUXZQJQ-UHFFFAOYSA-N 350.806 3.790 0 40 FHAB COc1ccc2c(-c3c(C)c4ccc(O)cc4oc3=O)cc(=O)oc2c1 6167356 GPJQTJAXFJIGAE-UHFFFAOYSA-N 350.326 3.589 0 40 FHAB biogenic CCC(=O)Nc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 13944061 MYAPNDMRVSUMTB-UHFFFAOYSA-N 365.477 3.614 0 40 FHAB CN(C)c1ccc(-c2nnc3sc(-c4cccc(N(C)C)c4)nn23)cc1 5352029 NJKJFXDWNBSGOB-UHFFFAOYSA-N 364.478 3.652 0 40 FHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccn1)N(c1ccccn1)C3=O 5325035 NBTCVPMNKGRHDX-LJQANCHMSA-N 369.380 3.641 0 40 FHAB Cc1cccc(NC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)c1C 14247021 UOLDBOJKTYPXRK-UHFFFAOYSA-N 350.340 3.691 0 40 FHAB CC(C)c1cc(=O)oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc12 6510493 KDRZPXCTTVBYLC-UHFFFAOYSA-N 362.378 3.823 0 40 FHAB COC(=O)c1c(NC(=O)NCc2ccccc2)sc2c1CC(C)(C)OC2 6661349 QAJIFBGGBXGOPZ-UHFFFAOYSA-N 374.462 3.708 0 40 FHAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@H]1C[C@@H]1c1cccc(F)c1 67033505 ZSUMHFBTTLBLAM-MOPGFXCFSA-N 352.409 3.804 0 40 FHAB COc1ccc([C@@H]2c3c(C)n[nH]c3C(=O)N2c2ccc(C)cc2)c(OC)c1 4928765 CWLRTIQKQDZONV-HXUWFJFHSA-N 363.417 3.794 0 40 FHAB CC(=O)Nc1ccc(SCC(=O)N(CC(F)(F)F)[C@H](C)C2CC2)cc1 7028500 QVRUTNZEIKCCEZ-LLVKDONJSA-N 374.428 3.927 0 40 FHAB Cc1ccc2cc3c(NC(=O)[C@@H]4CCCO4)nn(CC(C)C)c3nc2c1 17206167 AHTCKTSEEJTFQI-KRWDZBQOSA-N 352.438 3.666 0 40 FHAB COc1ccc(OC)c(NC(=O)c2c(C)nn(-c3ccccc3)c2C)c1 27976861 BFYHJDCBXSWEJD-UHFFFAOYSA-N 351.406 3.759 0 40 FHAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1O 409205829 FZVOSGLEOGAANX-DHDCSXOGSA-N 372.808 3.537 0 40 FHAB Cc1ccc(-c2ccsc2C(=O)NCc2c(C)cc(C)[nH]c2=O)cc1 9514506 LMZNOIFHDCUDOT-UHFFFAOYSA-N 352.459 3.959 0 40 FHAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)CSc1ccc(Cl)nn1 83859044 MDVNCAVOLFEJGX-UHFFFAOYSA-N 365.930 3.897 0 40 FHAB Cc1ccc(COc2ccccc2/C=C/C(=O)N[C@H](C(=O)O)C(C)C)cc1 62715344 NOHRBGZSMMUCOQ-IWGBCORSSA-N 367.445 3.813 0 40 FHAB CCCOc1ccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1 9709523 XCXQRCFQVNXTII-UHFFFAOYSA-N 363.421 3.716 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1cc(C(=O)O)cc(Cl)c1OC 20141199 RHMOJBZATJBZTR-UHFFFAOYSA-N 370.188 3.961 0 40 FHAB CN(c1cccnn1)C1CCN(C(=O)Nc2cccc3ccccc23)CC1 95462317 CRACZEMIFAQNNM-UHFFFAOYSA-N 361.449 3.763 0 40 FHAB COC(=O)Nc1cccc(C(=O)NC2(c3ccc(F)cc3F)CCC2)c1 95447559 MHLVEZGLTACRDN-UHFFFAOYSA-N 360.360 3.952 0 40 FHAB Cc1nn(C)cc1[C@@H]1SCC(O)=Nc2c1c(O)nn2C1CCCCC1 79494498 FSNCDTNHUKSYPK-HNNXBMFYSA-N 361.471 3.560 0 40 FHAB CCc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)cc1 408628396 SKHYGGCULHSJSG-UHFFFAOYSA-N 369.490 3.970 0 40 FHAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)c1 408592963 LEKJNGDHQUCQCA-UHFFFAOYSA-N 360.479 3.551 0 40 FHAB O=C(Nc1ccccc1N1CCCC1=O)N1CC[C@H](c2ccccc2F)C1 503719661 CFMLVTAPOZDYCB-HNNXBMFYSA-N 367.424 3.974 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1C 408627024 XLACSLBVLPDWQS-UHFFFAOYSA-N 372.368 3.773 0 40 FHAB O=C(Nc1cccc(N2CCOC2=O)c1)c1ccc(Br)s1 36395380 AGYWCWLFKXRFNU-UHFFFAOYSA-N 367.224 3.720 0 40 FHAB CCOc1ccc(C(=O)NC(=S)Nc2c(C)ccc3nsnc23)cc1 408575404 USCKIIYMUMVVHZ-UHFFFAOYSA-N 372.475 3.525 0 40 FHAB O=C(c1ccccc1F)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2)no1 33860137 ANHHKBNWOLRORN-MRXNPFEDSA-N 355.344 3.992 0 40 FHAB COc1ccc(CN2C[C@@H](c3ccn[nH]3)[C@H](c3ccc(OC)cc3)C2)cc1 72395161 YLBOGSISSWJPPC-LEWJYISDSA-N 363.461 3.810 0 40 FHAB CCc1ccc(NC(=O)Cc2n[nH]c(=S)n2Cc2ccccc2)cc1 32843847 NUAMCRJKSBHTMQ-UHFFFAOYSA-N 352.463 3.733 0 40 FHAB Cc1nnc(NC(=O)CSc2nc(C(C)(C)C)nc3ccccc23)s1 35312154 XWWWBSDUZZERFK-UHFFFAOYSA-N 373.507 3.818 0 40 FHAB O=C(O)[C@@]12C[C@@H](Nc3[nH]nc(-c4ccccc4)c31)c1cc(Cl)ccc1O2 72332291 IVWGGRKDTXMJIX-BFUOFWGJSA-N 367.792 3.959 0 40 FHAB Cc1cnc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)s1 40114757 QRCXRMUOBCDOAC-GFCCVEGCSA-N 358.492 3.916 0 40 FHAB CC(C)(C)OC(=O)N1CC[C@H](CNCc2ccccc2Br)C1 89223546 VNTVJPZTUAGEGX-CYBMUJFWSA-N 369.303 3.796 0 40 FHAB CC(C)(C)c1ccccc1OCCNS(=O)(=O)Cc1ccc(F)cc1 223701566 XPCKHHVCKPIGSK-UHFFFAOYSA-N 365.470 3.622 0 40 FHAB COC(=O)c1cc(-c2csc(N)n2)ccc1OCc1ccccc1F 85397497 YBZWRBIBCOCYLP-UHFFFAOYSA-N 358.394 3.897 0 40 FHAB S=C(NC[C@H]1CCCO1)Nc1ccc(N2CCCc3ccccc32)nc1 223898950 ZITRBMWELCPCCX-QGZVFWFLSA-N 368.506 3.631 0 40 FHAB Fc1cnc(Cl)nc1Oc1ccccc1I 85754786 AKMSVQBGDCQITO-UHFFFAOYSA-N 350.518 3.666 0 40 FHAB CCCCCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1 223939204 JLIYLYZTPGDWHF-UHFFFAOYSA-N 360.479 3.716 0 40 FHAB COc1cc2c(cc1Br)CCN(C)C[C@H]2c1ccc(N)cc1 146108971 WPIFRULRSUCIFT-INIZCTEOSA-N 361.283 3.660 0 40 FHAB CC[C@H](C)n1ncc(NC(=O)N2CCCN(c3ccccc3)CC2)c1C 581285986 PYFWTZKQHNAOOR-INIZCTEOSA-N 355.486 3.907 0 40 FHAB O=C(c1ccsc1)N1CCC2(CC1)CCN(C(=O)c1cccs1)CC2 96047278 YEEKYZRKOWRJKJ-UHFFFAOYSA-N 374.531 3.968 0 40 FHAB Cc1ccc(CN2CCC(F)(F)[C@]3(CCN(c4ncccn4)C3)C2)s1 96239676 FZSLZHLVQZUCNA-QGZVFWFLSA-N 364.465 3.584 0 40 FHAB O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(Cc1ccoc1)CC2 96100263 RPKPOLMQFOLRDA-FQEVSTJZSA-N 350.462 3.855 0 40 FHAB CN(C)c1cc([C@H]2c3ccccc3CCCN2C(=O)c2ccco2)ccn1 96087146 YSPXCLDLPAHCIX-NRFANRHFSA-N 361.445 3.919 0 40 FHAB CC(C)c1nnc2ccc(NC(=O)N3Cc4ccccc4O[C@@H](C)C3)cn12 333192404 OOBQWOPFOAHNDE-AWEZNQCLSA-N 365.437 3.668 0 40 FHAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](CC(C)C)[C@H]3C2=O)c1 96787047 KBXOHNGGERDOMT-ZCNNSNEGSA-N 364.445 3.720 0 40 FHAB O=C(c1cccnn1)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257307108 SXGSPLDGVJIWKW-QGZVFWFLSA-N 368.824 3.686 0 40 FHAB O=C(N1CCC[C@]2(CCNC2)C1)C1(c2cccc(C(F)(F)F)c2)CCC1 585089125 WQHZDLGBPNADHQ-GOSISDBHSA-N 366.427 3.729 0 40 FHAB CCN1C(=O)CC[C@@H](C(=O)NCc2ccccc2F)[C@@H]1c1ccccc1C 257262301 LKWPIUCEPKUZFR-NQIIRXRSSA-N 368.452 3.750 0 40 FHAB Cn1nnc2cc(C(=O)N3CCC[C@H]3Cc3c(F)cccc3Cl)ccc21 591142856 VYOZNLLFVQIHNL-ZDUSSCGKSA-N 372.831 3.608 0 40 FHAB O=C(N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1onc2c1CCCC2 616471276 UEMHBIVXMHSPGT-UONOGXRCSA-N 364.449 3.886 0 40 FHAB Brc1cccc2c(CN3CCN(c4ncc[nH]4)CC3)cccc12 1642945097 QADDNEQENZXWOP-UHFFFAOYSA-N 371.282 3.648 0 40 FHAB CO[C@@](C)(CNS(=O)(=O)c1cc(Cl)ccc1C)c1ccccc1F 96123585 QKTHRPFKHKMZIT-KRWDZBQOSA-N 371.861 3.628 0 40 FHAB Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3CN(Cc4ccncc4)C[C@H]23)o1 585109750 OVSZACDDIAFRRS-JAXLGGSGSA-N 373.456 3.683 0 40 FHAB COc1ccc(C2(CNC(=O)CSC3CCCC3)CCOCC2)cc1 49513357 BEWLRRIKMJNEMM-UHFFFAOYSA-N 363.523 3.535 0 40 FHAB O=C(c1cc(=O)c2ccccc2o1)N1CCC(COc2ccccc2)CC1 55425421 USAAKMWIWZDAOZ-UHFFFAOYSA-N 363.413 3.724 0 40 FHAB CCN(C)[C@@H]1CN(C(=O)c2oc3c(c2C)C(=O)CCC3)C2(CCCCC2)C1 19703810 XYNCYXWNQSXTGJ-INIZCTEOSA-N 372.509 3.976 0 40 FHAB CCOc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 11169206 PHEYKWYBUVQBLR-MYWXAZLQSA-N 355.434 3.993 0 40 FHAB O=C(CCc1csc(NC(=O)c2ccccc2)n1)NCc1cccs1 11835021 CCDYXTGRGBLMSH-UHFFFAOYSA-N 371.487 3.706 0 40 FHAB CCC1(CC)O[C@H](c2ccc(OCC(N)=O)c(OC)c2)Nc2ccccc21 12419041 MTSNNAQPZKJCBD-HXUWFJFHSA-N 370.449 3.716 0 40 FHAB CCCOc1c(Cl)cc(C(=O)N2CC(=O)Nc3ccccc32)cc1OC 15911790 KAZUISCVTOZAJB-UHFFFAOYSA-N 374.824 3.736 0 40 FHAB CCc1nn(CC(=O)N(c2ccccc2)C(C)C)c(=S)n1-n1cccc1 16777781 XMWGZGMVXYZJOF-UHFFFAOYSA-N 369.494 3.531 0 40 FHAB Cc1cc(C(F)F)n2ncc(C(=O)Nc3ccc4c(c3)N(C)CCC4)c2n1 19714903 NTSMTTZCQASRHI-UHFFFAOYSA-N 371.391 3.610 0 40 FHAB CCc1cnccc1[C@H](C)NC(=O)N1CCCc2cc(OC)ccc2C1 538037955 IXYHUCKQYOUCSX-HNNXBMFYSA-N 353.466 3.872 0 40 FHAB COc1ccc(CCNC(=O)N[C@@H](C)Cc2cc3ccccc3o2)cc1 245026626 NDTCGXCDMJLYLC-HNNXBMFYSA-N 352.434 3.914 0 40 FHAB COc1cccc(-c2ccc(SCC(=O)N3CCC(C)CC3)nn2)c1 4356500 UWJCHMWBDPLHLS-UHFFFAOYSA-N 357.479 3.503 0 40 FHAB Cc1ccc(-c2noc(-c3nnn(-c4ccccc4Cl)c3N)n2)cc1 6868163 BWVQKWCTDVFPNM-UHFFFAOYSA-N 352.785 3.528 0 40 FHAB CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cc2ccccc2o1 7613794 RHRAQFTZDZZMTO-UHFFFAOYSA-N 358.375 3.633 0 40 FHAB COc1ccc(NC(=O)Cn2cc(-c3nnc(C)o3)c3ccccc32)cc1 11695934 UGDWAIHFOLZSPZ-UHFFFAOYSA-N 362.389 3.647 0 40 FHAB CCn1c(=O)c(C(=O)Nc2cccc(SC)c2)c(O)c2sccc21 49409528 UQVQTNATLCJDOE-UHFFFAOYSA-N 360.460 3.763 0 40 FHAB CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2ccccc2)NC(=S)N1 641290 VNKHPRIMZGPPJJ-GOSISDBHSA-N 351.475 3.735 0 40 FHAB CCN(CC)CC(=O)N1N=C(c2ccsc2)C[C@H]1c1ccc(F)cc1 40158492 CPLGMVGPGHLIGO-SFHVURJKSA-N 359.470 3.907 0 40 FHAB COc1cc(OC)c(NC(=O)NCCc2ccccc2F)cc1Cl 40103503 XFKGUPGGHMVCKD-UHFFFAOYSA-N 352.793 3.861 0 40 FHAB CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccccc1OC 650919 UADGASCAURBASO-UHFFFAOYSA-N 374.510 3.515 0 40 FHAB Cc1noc2ncc(C(=O)N[C@H](C)c3ccc(OC(F)(F)F)cc3)cc12 46362990 PBHFQSRTYZXQJS-SECBINFHSA-N 365.311 3.921 0 40 FHAB COc1cc(-c2nnc(SCc3ccccc3)n2C)cc(OC)c1OC 874187 GJFQTEDCEPUYKK-UHFFFAOYSA-N 371.462 3.800 0 40 FHAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1Cl 32585663 FCULRWRBDNUKTQ-UHFFFAOYSA-N 362.234 3.811 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 4901989 JXVRNYFZLKJNQJ-UHFFFAOYSA-N 374.868 3.973 0 40 FHAB O=C(OCc1ccccc1Br)c1cncc(Br)c1 6917031 BHTAITVOMCYVCR-UHFFFAOYSA-N 371.028 3.964 0 40 FHAB Nc1nc(CSCC(=O)NCC2(c3ccccc3)CCCC2)cs1 32926783 ASBQGBKGSQDKDO-UHFFFAOYSA-N 361.536 3.587 0 40 FHAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(SC)cc2)c1 10112336 FNAJJVDWZOXGIN-UHFFFAOYSA-N 365.476 3.694 0 40 FHAB COC(=O)[C@]1(C)[C@H]2[C@H]3CC=C[C@@H]3[C@H]3[C@@H]2[C@@H]2[C@H]4[C@H]5[C@H](CC[C@@]5(C)[C@H](O)[C@@]34C)[C@H]21 104294582 LOVUPQYSFMEJMR-GAKJQYJJSA-N 368.517 3.523 0 40 FHAB O=c1oc2ccc(Br)cc2cc1-c1ccc2c(c1)OCCO2 630378 BJSLOPIQUAAPPH-UHFFFAOYSA-N 359.175 3.994 0 40 FHAB CCOc1cccc(C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)c1 665111 HGMHRHWLBPJKTO-UHFFFAOYSA-N 358.507 3.514 0 40 FHAB Cc1csc(NC(=O)Cn2ccc3cc(Br)ccc32)n1 12322355 MSTONDCLJILFSD-UHFFFAOYSA-N 350.241 3.807 0 40 FHAB Cc1cc(NC(=O)CN[C@@H](c2ccc3c(c2)CCC3)c2cccs2)no1 53814203 PEZNDCZIWWENKC-FQEVSTJZSA-N 367.474 3.851 0 40 FHAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2CN(O)C[C@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100367400 LBABUPQHIRDXKV-VJLJQMCCSA-N 361.526 3.960 0 40 FHAB CC(=O)Nc1cccc(-c2csc(Nc3ccc(C(=O)O)c(O)c3)n2)c1 1122862 NUZXMSFVCBWCLX-UHFFFAOYSA-N 369.402 3.916 0 40 FHAB Nc1cc(C(=O)Nc2cccc(I)c2)ccc1Cl 20478187 JKFPETKNLGJJFU-UHFFFAOYSA-N 372.593 3.779 0 40 FHAB C[C@@](O)(CS(=O)(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1 1388746 VTCLYDWLZUTJSZ-MRXNPFEDSA-N 358.381 3.528 0 40 FHAB C[C@H](Sc1nnc(NC[C@H]2CCCO2)s1)C(=O)c1ccc(F)cc1 25043552 UTHLYMFOVLFDKO-GXFFZTMASA-N 367.471 3.632 0 40 FHAB COC(=O)c1c(NC(=O)COc2cccc(C)c2C)sc2c1CCC2 1412645 BEHZAWDHWNRKPR-UHFFFAOYSA-N 359.447 3.658 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)c3ccc(COC(C)C)cc3)ccc21 25173326 UIVALCCFXAJBJC-UHFFFAOYSA-N 352.434 3.773 0 40 FHAB CCN(CC)c1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1 3297868 BWDSNXLKGYIRLT-UHFFFAOYSA-N 360.841 3.982 0 40 FHAB Cc1cccc(N2C[C@H](C(=O)N[C@@H](C)CCc3ccccc3)CC2=O)c1C 28198435 PXKMYPDUHIBERF-FXAWDEMLSA-N 364.489 3.794 0 40 FHAB C[C@H](C(=O)Nc1cccc(NC(=O)CCC2CCCC2)c1)n1cccn1 27127026 URRILVGVKMQBCA-OAHLLOKOSA-N 354.454 3.992 0 40 FHAB O=C(Cc1ccc2c(c1)CCC2)NC[C@H](c1cccs1)N1CCCC1 44719573 CAPMIPCAZRFXHN-LJQANCHMSA-N 354.519 3.733 0 40 FHAB O=C(NCc1ccc(N2CCOCC2)nc1)c1ccccc1-c1ccccc1 10718706 GTGBZCMHQRSUAC-UHFFFAOYSA-N 373.456 3.515 0 40 FHAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1cc(C)ccc1C 2375198 ZRCTWUQSJLQLRI-UHFFFAOYSA-N 365.437 3.816 0 40 FHAB CCCC[C@H](NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)c1ccccc1 2308052 XZVICJWMODTLOV-BEFAXECRSA-N 364.445 3.719 0 40 FHAB COc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1COc1cc(C)ccc1C 36612340 WVBGUDRQZQPLDD-VQIMIIECSA-N 373.474 3.679 0 40 FHAB O=C(Cc1csc(-c2ccco2)n1)Nc1ccc2oc(=O)ccc2c1 48365394 KYYPISKDEJGZNM-UHFFFAOYSA-N 352.371 3.691 0 40 FHAB Cc1ccc(-c2noc([C@@H](C)OC(=O)c3cccc(C)c3N)n2)cc1F 48375479 YDGFEUGWGPMMKJ-GFCCVEGCSA-N 355.369 3.993 0 40 FHAB NC(=O)CCn1c(SC/C=C/c2ccccc2)nnc1-c1cccs1 12809086 RBXKLFYTQVSNMF-XBXARRHUSA-N 370.503 3.688 0 40 FHAB CCOc1cc2c(cc1NC(=O)Cc1ccc(OC)c(F)c1)O[C@@H](C)C2 12894318 NITKQEDGOCZRFY-LBPRGKRZSA-N 359.397 3.738 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc2c(c1)OCCO2 13006272 STCWBXOJIPAPJI-UHFFFAOYSA-N 367.380 3.652 0 40 FHAB CCOC(=O)Nc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1 408585386 GCMXYZWJCTYZNC-UHFFFAOYSA-N 354.472 3.646 0 40 FHAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc(F)c(F)c1 6052688 LBENRCYLQBPVMG-UHFFFAOYSA-N 359.250 3.779 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 14016362 ROTPPZMSPOXECS-NSHDSACASA-N 365.364 3.654 0 40 FHAB Cc1c(C(=O)CSc2nnnn2Cc2ccccc2)oc2ccccc12 14190169 BJZNXBSHDCWTPZ-UHFFFAOYSA-N 364.430 3.751 0 40 FHAB Cc1ccc(NC(=O)CSCC(=O)Nc2cccc3cccnc23)cc1 14115197 AWDLZZCBSUYZIN-UHFFFAOYSA-N 365.458 3.854 0 40 FHAB O=C(NCCC(=O)N1CCCSc2ccccc21)c1ccc(Cl)cc1 14244511 YLIZFGDDBJXRRE-UHFFFAOYSA-N 374.893 3.989 0 40 FHAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc2ccccc2[nH]1 6551752 BRIRCBRZZPMVEC-INIZCTEOSA-N 370.840 3.609 0 40 FHAB CCOC(=O)CCc1cc(CCC(=O)O)cc(Cc2ccc(OC)cc2)c1 66352083 SXKVLQQWIUPYOG-UHFFFAOYSA-N 370.445 3.799 0 40 FHAB COc1ccc(C(C)(C)C)cc1NC(=O)Cc1ccc2c(c1)OCCO2 5509513 JPKQMFLZISLJFG-UHFFFAOYSA-N 355.434 3.945 0 40 FHAB Cc1ccc(NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c(C(=O)O)c1 5578313 AFLHLUBBQCOXOX-UHFFFAOYSA-N 354.406 3.930 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)[C@H]1C[C@@H]1C)c1ccccc1 6639718 MHXLGEQJEDZCLL-URLQWDBASA-N 353.418 3.883 0 40 FHAB CCOc1ccc2nc(SCC(=O)Nc3cc(F)ccc3F)[nH]c2c1 5667481 CPALOHYVEHBBJL-UHFFFAOYSA-N 363.389 3.971 0 40 FHAB O=C1N[C@@]2(CCCc3sccc32)C(=O)N1Cc1nc2ccccc2s1 5679180 BQMVNGAVDCJFEX-GOSISDBHSA-N 369.471 3.641 0 40 FHAB C[C@@H](NC(=O)CCSc1ccccc1)c1ccc(-n2cncn2)cc1 8775849 NDQWEOJNHROYCA-OAHLLOKOSA-N 352.463 3.627 0 40 FHAB CSc1ccccc1NC(=O)CCn1c(=O)oc2ccc(Cl)cc21 6760315 IUAGCLUQDLXRMG-UHFFFAOYSA-N 362.838 3.999 0 40 FHAB CCC(=O)N1c2ncnn2[C@H](c2ccccc2OC)C[C@H]1c1ccccc1 4816891 FOTBVEOODVWDIH-ROUUACIJSA-N 362.433 3.764 0 40 FHAB COc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1F 8720522 VTVMCQICUAUNRF-UHFFFAOYSA-N 362.832 3.759 0 40 FHAB Fc1ccc2ncn3nc(Cc4ccc(OC(F)(F)F)cc4)nc3c2c1 71282869 VBRJGXGEPIPHOU-UHFFFAOYSA-N 362.286 3.906 0 40 FHAB C[C@H]1CC(=O)c2c(OCC(=O)NCc3cccc(Cl)c3)ccc(F)c21 15396512 FAYURKAYOAGQSI-NSHDSACASA-N 361.800 3.864 0 40 FHAB O=c1cc(COc2ccccc2Cl)nc2ccc(Br)cn12 7167812 NEQGVJIMBMKOTL-UHFFFAOYSA-N 365.614 3.689 0 40 FHAB COc1cc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)ccc1O 7113242 BUNVQONNCVSGCN-HNNXBMFYSA-N 352.312 3.530 0 40 FHAB C[C@H](OC(=O)c1ccc2c3c(cccc13)CC2)C(=O)NC1CCCCC1 15513290 HVMBPRHHLNCBED-AWEZNQCLSA-N 351.446 3.933 0 40 FHAB Cn1c(SCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)nnc1-c1ccccc1 7329698 CLZWLVZNASMJJJ-RDJZCZTQSA-N 370.522 3.755 0 40 FHAB COc1ccc(S(=O)(=O)N2CCc3cc4ccccc4nc32)cc1Cl 15841820 PUQNFHOYDUMGSW-UHFFFAOYSA-N 374.849 3.648 0 40 FHAB COc1ccc(OCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1 7544398 ICBUYAQHSLIAJW-ZDUSSCGKSA-N 356.447 3.903 0 40 FHAB C[C@@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1cccc2ccccc12 7987994 MWCMCKRDIRKDKR-OAHLLOKOSA-N 367.470 3.875 0 40 FHAB CCOc1ccccc1N1CCN(C(=O)NCc2ccc(Cl)cc2)CC1 8026788 JVSDLAHAGHHQDG-UHFFFAOYSA-N 373.884 3.771 0 40 FHAB Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@@H](C)Cc1nc3ccccc3s1)C2 84129011 OGUWHQLWKMLKHC-KBXCAEBGSA-N 366.486 3.964 0 40 FHAB Cn1c(SCc2ccccc2F)nnc1-c1ccc2c(c1)OCCO2 9356044 KEGYNLQCUDDFGA-UHFFFAOYSA-N 357.410 3.685 0 40 FHAB CCC(=O)Nc1ccc(C(=O)COc2c(F)c(F)cc(F)c2F)cc1 9388619 ZUKLTXWWRFXQOY-UHFFFAOYSA-N 355.287 3.853 0 40 FHAB c1ccc(OCc2nnc(SCc3nnc(-c4ccccc4)o3)o2)cc1 408637671 MSNGPDVEUQLIJW-UHFFFAOYSA-N 366.402 3.991 0 40 FHAB COc1ccc(-c2nc(CC(=O)Nc3ccc4c(c3)OCO4)cs2)cc1 9458617 WFFVCVGYUPVDLC-UHFFFAOYSA-N 368.414 3.729 0 40 FHAB COC(=O)[C@@H](CNC(=O)NC1CCCCC1)Cc1cccc2ccccc12 72282562 KRKXLUYQUCGJLC-GOSISDBHSA-N 368.477 3.803 0 40 FHAB CC(=O)c1ccc(N2C(=O)C/C(=C\C3=Cc4ccccc4O[C@H]3C)C2=O)cc1 9577415 ACBWFVMQJLTADQ-UZUMKDMXSA-N 373.408 3.943 0 40 FHAB COc1ccc(S[C@@H](C)C(=O)NCc2ccccc2-n2ccnc2)cc1 20048719 NQMFIAPAAAUCME-HNNXBMFYSA-N 367.474 3.678 0 40 FHAB O=C(NCc1cccs1)c1ccccc1OCc1cn2ccccc2n1 9643079 WPJFMYDRJWLBHK-UHFFFAOYSA-N 363.442 3.905 0 40 FHAB CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CCC(O)CC2)cc1 72008347 ADEGIOQTEHUOKG-UHFFFAOYSA-N 372.490 3.721 0 40 FHAB CONC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 83915041 HORLHYLOZMGLQK-VAWYXSNFSA-N 359.385 3.976 0 40 FHAB O=C(COC(=O)c1cc(F)ccc1Cl)NCc1ccc(F)cc1Cl 72330176 ALSPVKGHUPODRN-UHFFFAOYSA-N 374.170 3.745 0 40 FHAB C[C@@H]1CC(=O)c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)c(=O)[nH]c2C1 72448386 DNNRSAIZLZXWFP-QMMMGPOBSA-N 365.216 3.699 0 40 FHAB CCOc1ccc(/C=C2\S[C](Nc3ccccc3F)NC2=O)cc1OC 408802286 YABIABDWGLYIEC-UHFFFAOYSA-N 373.429 3.996 0 40 FHAB CCCn1cc(NC(=O)N[C@@](C)(CC)COc2ncccc2Cl)cn1 95467131 YVBRVFVWUBKQIP-KRWDZBQOSA-N 365.865 3.711 0 40 FHAB CCOC(=O)c1c(NC(=O)CCc2cncc(F)c2)sc(C)c1CC 95985897 OPSZLNVLNBYAKC-UHFFFAOYSA-N 364.442 3.901 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(F)c3C)n2C)cc1 409168202 LEIITWQEOZPQHB-UHFFFAOYSA-N 370.453 3.969 0 40 FHAB COc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc(OC)c1O 409108355 WLDWBOUQMLCDQO-XGICHPGQSA-N 365.307 3.921 0 40 FHAB COc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c(OC)c1 38834652 UKLKQRKCHAPPIL-MRXNPFEDSA-N 372.440 3.694 0 40 FHAB Fc1cccc(CN2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)c1F 72390046 LDDJYZZAPUDSRZ-AWEZNQCLSA-N 356.376 3.789 0 40 FHAB CC1=C(C)C[C@H](C(=O)NS(=O)(=O)C2CCC(C(F)(F)F)CC2)CC1 408500826 PJTFPLQAWSYDKN-IYXRBSQSSA-N 367.433 3.690 0 40 FHAB Cc1cccc(C)c1N[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 36635833 LRPFJRLNXMDUJM-HNNXBMFYSA-N 373.250 3.810 0 40 FHAB C[C@@H](NC(=O)[C@H]1CCCO1)c1ccc(NC(=O)Nc2ccccc2)cc1 42091782 XZIOPQGHDIVPGJ-RDTXWAMCSA-N 353.422 3.687 0 40 FHAB O=C(COC(=O)[C@H]1C[C@@H]1c1ccco1)Nc1ccc(C(F)(F)F)cc1 128282744 CMVUGLOEEMXUQE-STQMWFEESA-N 353.296 3.584 0 40 FHAB O=C(NCCc1nc2c(c(C(F)(F)F)n1)CCCC2)Nc1cccs1 77101237 QLKZWRBJPLZGBD-UHFFFAOYSA-N 370.400 3.800 0 40 FHAB COCCN1COc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2C1 13692430 RTYZDOWOZVTQQV-UHFFFAOYSA-N 371.820 3.912 0 40 FHAB biogenic CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)C1CCCC1 225567369 NOWODRFFIOXAGG-UHFFFAOYSA-N 364.243 3.648 0 40 FHAB CCOC(=O)c1cccc(NC(=O)CCc2ccc3c(c2)OCCO3)c1C 222642999 JOJPMEXJMITOGP-UHFFFAOYSA-N 369.417 3.514 0 40 FHAB O=C(N[C@@H]1C(O)=N/[N+](=C\c2ccccc2)[C@@H]1c1ccccc1)c1ccccc1 223599458 WOWHACKVFSQBFN-RFDVDBBISA-O 370.432 3.543 0 40 FHAB Cc1cc(NC(=O)CN[C@H](C)C2CC(F)(F)C2)ccc1Br 529612338 UWFZEMNCQHBFGN-SNVBAGLBSA-N 361.230 3.719 0 40 FHAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC2CCCC2)cc1 223193371 RGTZFXVBEHKIHD-AQTBWJFISA-N 354.475 3.886 0 40 FHAB CN(c1ccc(C(=O)O)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 225145665 KUCGYGSEXODGGM-UHFFFAOYSA-N 360.218 3.517 0 40 FHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccco1 223203103 HPKFKZARJFWACI-OAHLLOKOSA-N 359.491 3.975 0 40 FHAB Cc1cccc2sc(OC3CN(C(=O)Cc4ccc(F)cc4)C3)nc12 75166715 KKBNTNJAPQZZBQ-UHFFFAOYSA-N 356.422 3.576 0 40 FHAB Cc1ccc(-c2noc(CNC(=O)Cc3ccc(Cl)cc3F)n2)cc1 223121788 WYKJABCYJPTEAL-UHFFFAOYSA-N 359.788 3.696 0 40 FHAB O=C1CCCN1c1cccc(NC(=S)NCc2ccccc2Cl)c1 225372713 IDKYAZBUSRUERQ-UHFFFAOYSA-N 359.882 3.953 0 40 FHAB CC(C)(C)OC(=O)N1CCC(=O)[C@@H](Cc2ccccc2Br)C1 228908980 NLFBDJODASTYOZ-ZDUSSCGKSA-N 368.271 3.818 0 40 FHAB CCCC[C@@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2ON1c1ccccc1 96900722 TYGWXDDSOQBXNU-AQNXPRMDSA-N 364.445 3.864 0 40 FHAB C[C@@H]1CCCN1C(=O)c1cc2c(c3ccccc3n2C)n1-c1ncccn1 96264184 MZKGJZHHOAAHEJ-CQSZACIVSA-N 359.433 3.537 0 40 FHAB COc1cccc(C(=O)N2CCC(C(=O)Nc3cccc(C)c3C)CC2)c1 243461546 NHKFYMFJDINJOH-UHFFFAOYSA-N 366.461 3.803 0 40 FHAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@H]3C[C@H]3C)cc2n1 253591181 KLUFIWQOKOZSTA-OSMZGAPFSA-N 366.387 3.630 0 40 FHAB C[C@@]12C[C@H]3CN(C(=O)c4cc(-c5cccc(F)c5)no4)[C@@H]1CCCC[C@@H]2N3 257276090 NSHNJKMELGICMQ-RMYQPGKMSA-N 369.440 3.616 0 40 FHAB O=C(/C=C/c1ccco1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 85471700 ACWZQUODCQXGTF-GQCTYLIASA-N 366.339 3.777 0 40 FHAB O=C(N[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1)c1onc2c1CCCC2 1775986986 JPYNMKMHGXEPLH-GFCCVEGCSA-N 369.852 3.975 0 40 FHAB O=C(O)Cc1cccc(NC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)c1 630145445 ZWDRXHQSJXUNIV-GOSISDBHSA-N 372.852 3.570 0 40 FHAB O=C(C1CC(c2ccc(F)cc2)C1)N1CCC[C@@H](Oc2ncccc2F)C1 644680503 LFQBNTMOUDZFSU-LEOMRAHMSA-N 372.415 3.923 0 40 FHAB O=C(O)c1ccc(-c2nc(CN3CCO[C@H]4CCCC[C@H]43)cs2)cc1 652396968 HDKUORNMDVUZSM-SJORKVTESA-N 358.463 3.652 0 40 FHAB Cc1cc(C(=O)Nc2nncn2C2CC2)cc(Cl)c1Br 671869136 BVCKARRADPMSCV-UHFFFAOYSA-N 355.623 3.590 0 40 FHAB COc1cccc2cc(C(=O)N3CCC[C@@]4(CCN4CC(C)C)C3)oc12 585102056 OWJAYCFOUXXANQ-OAQYLSRUSA-N 356.466 3.778 0 40 FHAB Cc1ccc(-c2csc(NC(=O)[C@H](C)OC[C@H]3CCCO3)n2)c(C)c1 58003424 DYEDPXJWRSGUEU-LSDHHAIUSA-N 360.479 3.950 0 40 FHAB Cn1c(Cl)cnc1COC(=O)C1(c2ccc(Cl)cc2)CCOCC1 66519787 UZOFVFWWYRDBEG-UHFFFAOYSA-N 369.248 3.519 0 40 FHAB COc1ccc(N2C(=O)[C@@H](CN3CCCCC3)[C@@H]2c2ccccc2)cc1 5720515 LLCAMQMPRIAKTP-SFTDATJTSA-N 350.462 3.885 0 40 FHAB O=C(CSc1nc(CC2CCCC2)n[nH]1)Nc1ccc(F)cc1F 11498195 ZHGKQVCTPRGMRA-UHFFFAOYSA-N 352.410 3.546 0 40 FHAB CSc1ccc(CN2CCC[C@]3(CNC(=O)c4ccccc4O3)C2)cc1 12086798 ZKWDGGSAXVAMNG-NRFANRHFSA-N 368.502 3.566 0 40 FHAB OC1(Cn2ccc3nc(Cl)ccc32)CCN(Cc2ccccc2F)CC1 12163200 ULCHRERLBXHWHX-UHFFFAOYSA-N 373.859 3.856 0 40 FHAB CC(C)CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cc1cccc2ccccc12 12908094 QBVFMXMKJXLQCS-IAGOWNOFSA-N 354.494 3.828 0 40 FHAB CCOC(=O)[C@H]1C(=O)C[C@](O)(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 13583564 DDDMZQZGOCQJOC-QFUCXCTJSA-N 372.848 3.854 0 40 FHAB COc1ccc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1O 15008483 FKRZYCILIOVGEX-LICLKQGHSA-N 355.415 3.946 0 40 FHAB Cc1cc(C)c(S(=O)(=O)NC2CCCCC2)c(C)c1Br 16780092 KQFKRMBKPMVYQD-UHFFFAOYSA-N 360.317 3.985 0 40 FHAB O=C(Cc1ccccc1)Oc1ccccc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O 17976198 KHVQFYZGQTWXKT-IAGOWNOFSA-N 363.413 3.514 0 40 FHAB O=C(C1CCCCC1)N1CCO[C@H](c2nccnc2-c2cccc(F)c2)C1 19693224 CRZSQTFJMJGHLW-SFHVURJKSA-N 369.440 3.763 0 40 FHAB CCOc1cccc2sc(NC(=O)c3ccc(-n4cccn4)nc3)nc12 19716575 BHIAWQNHBNPSDC-UHFFFAOYSA-N 365.418 3.528 0 40 FHAB CC(=O)c1c[nH]c(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c1 10579241 JSHMVCWLNKCYSN-UHFFFAOYSA-N 354.435 3.680 0 40 FHAB Cc1cc(NC(=O)[C@H](C)Sc2nnc(C3CC3)n2-c2ccccc2)on1 10645856 WMBSWPCZCCHCHI-LBPRGKRZSA-N 369.450 3.560 0 40 FHAB O=C(Cn1ccc2ccccc21)OCc1nnc(-c2cccc(F)c2)o1 1116162342 KNMDVLUJLMDISD-UHFFFAOYSA-N 351.337 3.574 0 40 FHAB O=C(C1CCCCC1)N1CCC[C@H](c2ccnc(Nc3nccs3)n2)C1 2037834813 STOLCSCGSIWJQS-HNNXBMFYSA-N 371.510 3.963 0 40 FHAB Cc1cnc(C)c(OC2CCN(c3ncc(Cl)cc3Cl)CC2)n1 2086964091 FHPMKXPUYPDFJP-UHFFFAOYSA-N 353.253 3.843 0 40 FHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc3ccccc3c2)C1)c1ccccc1 837656 MLTPFPAPLDGREF-LJQANCHMSA-N 373.408 3.619 0 40 FHAB CCc1nnc(NC(=O)CSc2ncnc3c2oc2ccccc23)s1 2467170 JGGCGFDQYFVOBY-UHFFFAOYSA-N 371.447 3.521 0 40 FHAB CO[C@@](F)(C(=O)Nc1cccn2cc(-c3ccccc3)nc12)C(F)(F)F 4576384 DFTVEUTWYNYADR-INIZCTEOSA-N 367.302 3.814 0 40 FHAB O=C(CSc1ccc(-c2ccncc2)nn1)N1CCCc2ccccc21 5108130 UXMKEBSZRPEBEK-UHFFFAOYSA-N 362.458 3.610 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)CN(C(C)=O)CC2 9034828 UGNICCGEXVZXAC-UHFFFAOYSA-N 358.825 3.506 0 40 FHAB Cc1cc(C(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)no1 9206332 YFSXIXNJPPQLBI-UHFFFAOYSA-N 368.393 3.974 0 40 FHAB CC(C)(C)C(=O)N1CCc2ccc(NC(=O)COc3ccc(F)cc3)cc21 13695356 JRPSBJSUCVUYJO-UHFFFAOYSA-N 370.424 3.778 0 40 FHAB Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3F)c2)cc1F 15883192 LHEGKDPSTHNFTI-UHFFFAOYSA-N 354.356 3.736 0 40 FHAB CCC(=O)N1CCCc2ccc(NC(=O)COc3ccccc3C)cc21 17247714 OYPOYEQHWXLCPO-UHFFFAOYSA-N 352.434 3.702 0 40 FHAB Cc1ccc(C(=O)N2CCC[C@@]3(CC2)CN(Cc2cccs2)CCO3)o1 2055793300 MKWQECVXYLPXEO-HXUWFJFHSA-N 374.506 3.547 0 40 FHAB CCOc1cc2c(cc1OCC)[C@@H](c1cccc(OC)c1OC)NCC2 20506940 RZDWAUYVPWTZRU-HXUWFJFHSA-N 357.450 3.736 0 40 FHAB biogenic O=C(c1nc2ccccc2s1)N1CC[C@H](c2ccc3c(c2)CCO3)C1 585149031 RWVUIANQKRLZPC-HNNXBMFYSA-N 350.443 3.861 0 40 FHAB O=C(N[C@H]1CCN(Cc2ccsc2)C1)NC12CC3CC(CC(C3)C1)C2 606440567 BSFZTNJRNSZLHN-AZRLCKCBSA-N 359.539 3.590 0 40 FHAB Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc3c(c2)COC3)c(C)c1 50024039 MFRCEZIUEULFKL-OAHLLOKOSA-N 353.418 3.826 0 40 FHAB COc1ccc(Br)cc1CN(C)C(=O)c1cccnc1Cl 29289804 FEYUTDVSMWUBRM-UHFFFAOYSA-N 369.646 3.778 0 40 FHAB CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccc(Cl)cc1 2503549 DGHPIAOUZGMKHR-QMTHXVAHSA-N 364.854 3.552 0 40 FHAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 60061233 LGTYOEPXHBRYHI-AHIWAGSCSA-N 371.308 3.707 0 40 FHAB Cc1ccc(N2C[C@@H](C(=O)N3CCc4ccccc4C3)CC2=O)cc1Cl 8218468 ULHVWNJMTBYRES-KRWDZBQOSA-N 368.864 3.586 0 40 FHAB COc1cccc(-c2noc([C@@H]3CCCN(C(=O)c4cccs4)C3)n2)c1 1362471 UPKRXWOXYSQYHW-CQSZACIVSA-N 369.446 3.827 0 40 FHAB CCCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)O[C@H]1CCC[C@@H]1C 4426847 JWQQUJWYUWFDMB-AXHNFQJDSA-N 372.465 3.835 0 40 FHAB CCc1cc2cc3c(cc2nc1SCC(=O)N1CCCCC1)OCCO3 4849577 MDXIQPKGURXSMD-UHFFFAOYSA-N 372.490 3.673 0 40 FHAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](OS(=O)(=O)O)CC[C@@]43C)[C@@H]1CCC2=O 6067779 ZMITXKRGXGRMKS-HLUDHZFRSA-N 370.511 3.786 0 40 FHAB endogenous,world Cc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 6766511 XXZQEMKPJHMGLG-UHFFFAOYSA-N 372.490 3.693 0 40 FHAB COc1ccc(CCC(=O)Nc2nc(-c3cccnc3)cs2)cc1OC 6830952 JPDJONHLKVWSRB-UHFFFAOYSA-N 369.446 3.794 0 40 FHAB CCCOc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1 7668792 LCWWRJDFMVSTDR-UHFFFAOYSA-N 373.405 3.532 0 40 FHAB CC(=O)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 7928645 HSVOXYOHXSVDTI-CQSZACIVSA-N 371.820 3.810 0 40 FHAB O=C(Nc1nc(-c2ccc(Br)cc2)ns1)c1ccco1 11914189 AYGWPNIVSKOXOO-UHFFFAOYSA-N 350.197 3.813 0 40 FHAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(NC(=O)c4ccccc4)cc3)C(=O)[C@@H]21 8434749 POWDSLVDQRZCGP-MDASCCDHSA-N 360.413 3.641 0 40 FHAB CC[C@@H]1CCCCN1C(=O)[C@@H](C)S(=O)(=O)Cc1cccc2ccccc12 32929917 PWZSHMMSHRNTNX-VQIMIIECSA-N 373.518 3.934 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1noc(-c2ccc(OC)cc2)n1 21800731 NMSDKNJPMMGPOL-MRXNPFEDSA-N 371.368 3.680 0 40 FHAB O=C(Nc1ccc(NCC2CCCC2)cc1)C1CCN(C(=O)C2CC2)CC1 70017458 HEYIKLBSTNWUFI-UHFFFAOYSA-N 369.509 3.876 0 40 FHAB CCCCc1nc(CSc2nc3ccccc3c3nc(C)nn23)no1 52891445 PSYDMWLDTMFFPN-UHFFFAOYSA-N 354.439 3.604 0 40 FHAB Cc1c(C)c(C)c(S(=O)(=O)CC(=O)N2CCCCCCC2)c(C)c1C 60929011 GUQJABAYJBDTPJ-UHFFFAOYSA-N 365.539 3.795 0 40 FHAB C[C@H](c1nc2ccccc2s1)N(C)CN1C(=O)NC2(CCCCC2)C1=O 22461000 FQJKQRCUBPXMMW-CYBMUJFWSA-N 372.494 3.501 0 40 FHAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)[C@@H]1CCOC1 69346840 KOBLPHLHAPLDRS-MGPQQGTHSA-N 364.873 3.718 0 40 FHAB CN(C)c1ccc(NC(=O)Cc2csc(-c3ccc(F)cc3)n2)cn1 24031621 UGWYALDLUFDLAI-UHFFFAOYSA-N 356.426 3.591 0 40 FHAB C[C@H]1CN(Cc2csc(NC(=O)C[C@@H]3C[C@@H]4CC[C@@H]3C4)n2)C[C@@H](C)O1 102694715 XVUHSBOELMAKFU-JKJDWNRSSA-N 363.527 3.517 0 40 FHAB O=C(CNc1ccc(Br)cc1)N1CCSc2ccccc21 12556328 UJLVFBBEUQBMBC-UHFFFAOYSA-N 363.280 4.000 0 40 FHAB O=C(Nc1cccc(-c2nnco2)c1)c1ccccc1OC[C@H]1CCCO1 24739146 PINPPLWMASWPJN-MRXNPFEDSA-N 365.389 3.547 0 40 FHAB Cc1cc(C)cc(N2C[C@H](c3nnc(NC(=O)C(C)(C)C)s3)CC2=O)c1 9199872 DEAWXPATPJERMG-CYBMUJFWSA-N 372.494 3.660 0 40 FHAB COc1ccc(CC(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)cc1 12508030 PVKPYPKMWLUVKE-SFHVURJKSA-N 369.490 3.725 0 40 FHAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)c(Cl)c2)NC(=S)N1 1467670 OPBQVEUSCZTVHN-ZDUSSCGKSA-N 359.278 3.738 0 40 FHAB CN(C)Cc1ccc(CN2[C@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cc1 100765331 IKWCRPMLZNRWKY-VXKWHMMOSA-N 368.496 3.902 0 40 FHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(NC(C)=O)s2)c1 10037343 TXJGWMIONJUPPQ-HNNXBMFYSA-N 374.462 3.701 0 40 FHAB COc1ccccc1CNC(=O)CSc1ccc(Br)cc1 3264271 ICQBCYYNKDCIDC-UHFFFAOYSA-N 366.280 3.866 0 40 FHAB Cc1ccc(S(=O)(=O)n2ccc3c2C(=O)[C@@H](C)[C@@H]3c2ccccc2)cc1 26897225 NECHEGOFASDHLR-HNAYVOBHSA-N 365.454 3.998 0 40 FHAB Cc1ccc(NC(=O)c2cccc(NC(=O)CCn3ccnc3)c2)c(F)c1 58223270 PYRAUWJTLUGONC-UHFFFAOYSA-N 366.396 3.612 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1noc2c1C[C@H](C)CC2 20294474 ZXPMPUVKUXAMSI-CYBMUJFWSA-N 364.449 3.913 0 40 FHAB CC(=O)c1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1 12617395 QDYOYOXTYMIPHH-UHFFFAOYSA-N 363.392 3.955 0 40 FHAB CCN(CCNC(=O)CCc1cc(C(C)=O)c(C)o1)c1ccccc1C 36392073 QNGRKTYMPKCAEF-UHFFFAOYSA-N 356.466 3.674 0 40 FHAB CCCOc1ccc2ccccc2c1CN(C)C(=O)c1ccn(C)c(=O)c1 28440454 XYMWITPZVQWHAP-UHFFFAOYSA-N 364.445 3.600 0 40 FHAB COc1cc(NCC(=O)Nc2ccc(C(C)=O)cc2)c(OC)cc1Cl 3340316 BYZDWGXDWBTPHB-UHFFFAOYSA-N 362.813 3.610 0 40 FHAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1cc2ccccc2o1 3329819 ATHGVOVAFCSBOV-UHFFFAOYSA-N 370.836 3.865 0 40 FHAB CC(C)C[C@@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccc2c(c1)OCO2 2460143 SMXQTJOFFISCNU-VMBOVVBDSA-N 374.481 3.711 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)c1cc(Cl)c(Cl)n1C)CC2 36762681 GVVXYBUJYAUOCU-UHFFFAOYSA-N 369.248 3.548 0 40 FHAB Cc1ccc(-c2nnc(S)n2CC(=O)NCc2cccc(Cl)c2)cc1 12737861 KTXVOWAXZRJUOF-UHFFFAOYSA-N 372.881 3.512 0 40 FHAB C[C@H](NC(=O)CCC(=O)c1ccc(F)cc1F)c1nc2ccccc2[nH]1 48386320 QKPGKIUHCOYOBK-NSHDSACASA-N 357.360 3.681 0 40 FHAB O=C(CCc1ccccc1)NCc1cccc(NC(=O)c2ccncc2)c1 48367026 BDFFCASFWAWLGE-UHFFFAOYSA-N 359.429 3.583 0 40 FHAB C[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1nnc2ccccn12 48374430 WHCDVNJWCAECMY-LBPRGKRZSA-N 350.353 3.619 0 40 FHAB COc1cccc(CN(C)CC(=O)Nc2cccc(Br)c2)c1 3584051 JLPHYEHFKGLXDD-UHFFFAOYSA-N 363.255 3.528 0 40 FHAB C[C@@H](NC(=O)COc1ccccc1Cl)c1ccc(-n2ccnc2)cc1 13074343 QKBLKXITFVZRCA-CQSZACIVSA-N 355.825 3.782 0 40 FHAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cccc(C(=O)N2[C@H](C)CCC[C@H]2C)n1 4164355 KGZIUBMTJHBSHZ-VQHPVUNQSA-N 357.498 3.888 0 40 FHAB COc1ccc2nc(S[C@H](C)C(=O)N(C)Cc3ccccc3)[nH]c2c1 4252413 VUXWLXBKSSGMMX-CYBMUJFWSA-N 355.463 3.711 0 40 FHAB O=C(COc1ccc(Cl)cc1)NCCc1ccc(OC(F)F)cc1 5296103 ZAWIZHWUCZGCHZ-UHFFFAOYSA-N 355.768 3.679 0 40 FHAB COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccc(C(C)C)cc1 6315357 PGSODUDWYNRTKX-UHFFFAOYSA-N 362.451 3.578 0 40 FHAB COC(=O)Nc1cc(NC(=O)c2cccnc2N2CCCCC2)ccc1F 66488409 HFPRSBRDCCZYIG-UHFFFAOYSA-N 372.400 3.642 0 40 FHAB COC(=O)c1cccnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 5720019 FQFSPQWKGQJDMF-UHFFFAOYSA-N 370.352 3.618 0 40 FHAB O=C(Cc1noc2ccccc12)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 66687475 BWLLYPMEKYLCOB-GOSISDBHSA-N 374.799 3.763 0 40 FHAB Cc1cnc(C(=O)OCc2cn(-c3ccccc3)nc2-c2ccccc2)cn1 6841457 DHHYCRSFXLEZCB-UHFFFAOYSA-N 370.412 3.995 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c1 7050204 MTSNAVYIBHPTSQ-MRXNPFEDSA-N 355.463 3.529 0 40 FHAB CN1C(=O)Cc2cc(-c3csc(Cc4nc5ccccc5[nH]4)n3)ccc21 7119303 AEQWXUXHTFDLOL-UHFFFAOYSA-N 360.442 3.796 0 40 FHAB C[C@@H](NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1)c1ccco1 7229920 IMRMMXAJUSFODX-CYBMUJFWSA-N 368.462 3.707 0 40 FHAB CCOc1ccc(NC(=O)COc2ccc(OC)cc2)c2cccnc12 15840768 CFYADEDKTVNCQT-UHFFFAOYSA-N 352.390 3.660 0 40 FHAB CCN(C(=O)CSc1nnnn1-c1ccc(C)cc1C)C1=CCCCC1 7590784 CJGQZCYZQDRDOA-UHFFFAOYSA-N 371.510 3.678 0 40 FHAB CCOc1ccc(CC(=O)OCC(=O)Nc2cccc(SC)c2)cc1 9033588 CUSYCOHCTHDSOM-UHFFFAOYSA-N 359.447 3.532 0 40 FHAB O=C(Cc1coc2cc3c(cc12)CCC3)NCc1ccc2c(c1)OCCO2 16012653 BXISZKYMQBDBMY-UHFFFAOYSA-N 363.413 3.552 0 40 FHAB CCN(C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccccc1 16339551 WBMXMTOGFRQPDS-LJQANCHMSA-N 366.461 3.648 0 40 FHAB CC(=O)N1CCC(Nc2ncnc3sc(-c4ccccc4)cc23)CC1 8192860 TVYHTOUDSRCURX-UHFFFAOYSA-N 352.463 3.781 0 40 FHAB O=C(Nc1ccc(Cl)cc1)C(=O)N1CCSC[C@H]1c1ccccc1 97002066 KTPFUPUOKNCCKN-INIZCTEOSA-N 360.866 3.595 0 40 FHAB CN(CCO)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 95349116 YXHZSMAOWUYKMP-UHFFFAOYSA-N 360.457 3.886 0 40 FHAB CC[C@H](NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1)c1ccccc1 20485508 MYHARBKBXCSBSZ-HNNXBMFYSA-N 366.870 3.593 0 40 FHAB COc1ccc([C@@H](C)Nc2cc(Cl)nc(N)n2)cc1Br 79094010 FHSXSGUZDCCWFG-SSDOTTSWSA-N 357.639 3.656 0 40 FHAB COc1ccccc1-c1cccc(NC(=O)N(C)C2CCS(=O)CC2)c1 95971229 IBRNTPUPSAQIKE-UHFFFAOYSA-N 372.490 3.737 0 40 FHAB CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1cccnc1-n1cncn1 95950615 CCGZLEZBWCUXPQ-KRWDZBQOSA-N 365.437 3.582 0 40 FHAB Cc1nc(NC(=O)CCc2nc(-c3ccc4cc[nH]c4c3)no2)sc1C 79489894 GWPBPOREMYBPPL-UHFFFAOYSA-N 367.434 3.863 0 40 FHAB Cc1csc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)n1 9908722 FKIHVZJOAWDRIX-OCABNYQQSA-N 373.522 3.597 0 40 FHAB CS(=O)(=O)c1ccc2c(c1)CCCN2Cc1ccc(F)c2cccnc12 89490140 GNQLBXGXEGWSNB-UHFFFAOYSA-N 370.449 3.730 0 40 FHAB COc1cccc(OCc2ccc(C(=O)Nc3ccc4c(c3)OCO4)o2)c1 28225151 IINXHLYNVNDBLY-UHFFFAOYSA-N 367.357 3.848 0 40 FHAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(N2CCCC2=O)c1 31667356 JSZPXRZPRMUCNP-UHFFFAOYSA-N 364.854 3.576 0 40 FHAB CC1CCN(C(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)CC1 188970007 GXIUFNONFHFLNI-UHFFFAOYSA-N 352.881 3.950 0 40 FHAB O=C(OCc1cc(-c2ccco2)on1)c1cc(-c2ccc(F)cc2)n[nH]1 38767692 ARFWSAXVAVZONE-UHFFFAOYSA-N 353.309 3.821 0 40 FHAB COC(=O)Cc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 30989878 XCXHYKVITDXPMV-UHFFFAOYSA-N 351.324 3.602 0 40 FHAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 43739470 ZNDCVQMMLDTELE-CYBMUJFWSA-N 358.825 3.730 0 40 FHAB Cc1ccc(C)c(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c1 222488239 NGYGHCDNSGLVEM-UHFFFAOYSA-N 366.870 3.605 0 40 FHAB CCc1cccc(CC)c1NC(=O)CCc1nc(-c2cccnc2)no1 225835197 OMUVDMOFAJEMIT-UHFFFAOYSA-N 350.422 3.828 0 40 FHAB CN(C[C@@H](O)COCCOC12CC3CC(CC(C3)C1)C2)C1CCCCC1 226072363 CMDQADNQFUBQEP-RKRCHRGQSA-N 365.558 3.614 0 40 FHAB Cc1nc2ccc(NC(=O)N3CCN(c4cnccc4C)CC3)cc2s1 569799938 FNBVLPIHDOWUIF-UHFFFAOYSA-N 367.478 3.662 0 40 FHAB O=C1CCCN1Cc1ccc(CNC(=S)Nc2cccc(Cl)c2)cc1 225648135 RESGZZUGOMHPBW-UHFFFAOYSA-N 373.909 3.949 0 40 FHAB C[C@@H](COc1ccccc1)NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 223615239 DRUQWWFXOGGDPO-DLBZAZTESA-N 353.462 3.916 0 40 FHAB Cc1cc(N2CCCCCC2)nc(NC(=S)NCc2ccc(F)cc2)n1 225949157 PHVHAKIVNZBUDA-UHFFFAOYSA-N 373.501 3.791 0 40 FHAB Cc1cccc(NC(=S)NCc2nc(-c3ccccc3Cl)no2)n1 225819963 CWCIEKIDXQZRSN-UHFFFAOYSA-N 359.842 3.580 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H](Nc2cccc(Br)n2)C1 40434968 OQMHZMAHOQXZBH-NSHDSACASA-N 356.264 3.656 0 40 FHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ncccc1C 225688598 MVWUCHSELDGOIN-HNNXBMFYSA-N 357.479 3.987 0 40 FHAB CCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCC 223129194 SDNHJXGQLGEILL-FQEVSTJZSA-N 352.478 3.563 0 40 FHAB CCCCC[C@H](O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCCOC 90427933 VWEVSUSNDAHANL-LFQYYNTQSA-N 354.531 3.605 0 40 FHAB O=C(C[C@H]1CC2(CCN(Cc3ccoc3)CC2)c2ccccc21)NC1CC1 96052972 MCXPYMQUXXHUED-SFHVURJKSA-N 364.489 3.969 0 40 FHAB Cc1ccsc1C(=O)N1CC[C@]2(CCCN(Cc3c(C)noc3C)C2)C1 96216026 UTVHOZLPKPQWOA-FQEVSTJZSA-N 373.522 3.790 0 40 FHAB O=C(c1cccnn1)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257332546 XXUBLHRHTSOMQF-GOSISDBHSA-N 366.396 3.562 0 40 FHAB C[C@@]12CC[C@@H]3C[C@]1(C(=O)Nc1ccc(Br)cc1)OC[C@]32C 252695166 VVNHVRFKKLZWNV-KLWIRTJPSA-N 350.256 3.983 0 40 FHAB Cc1ccc(Nc2nc([C@H]3CCCN(Cc4cnn(C)c4)C3)cs2)nc1 257199742 AARCMZVFQIIOCD-INIZCTEOSA-N 368.510 3.703 0 40 FHAB CC(C)(C)c1cc(C(=O)N2C[C@H]3[C@@H](Oc4ccccc4F)CC[C@H]3C2)[nH]n1 257256905 KNJFHHUTUZYXOA-VBQJREDUSA-N 371.456 3.776 0 40 FHAB Cc1noc(C)c1-c1ccc(OCc2nnc([C@@H]3CCCOC3)o2)cc1 643650151 XAZFHWFEUTVAND-OAHLLOKOSA-N 355.394 3.814 0 40 FHAB Cc1cnc([C@H](NC(=O)N2CCOc3cccc(F)c3C2)C2CC2)s1 670130598 ZLCMFFKRZKSORU-MRXNPFEDSA-N 361.442 3.646 0 40 FHAB FC(F)(F)c1nc(-c2ccc([C@@H]3CCCN(CC4CC4)C3)nc2)no1 585289091 DLPBLBHCTIYDCY-CYBMUJFWSA-N 352.360 3.740 0 40 FHAB Cc1cc(=O)oc(C)c1C(=O)O[C@@H](C)c1nc2ccccc2n1C(F)F 54748702 QTSSWKSEXSQGHN-NSHDSACASA-N 362.332 3.919 0 40 FHAB Cc1c(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)oc2c(C)cccc12 53154211 JYCRLDWZUAHTFJ-AWEZNQCLSA-N 371.458 3.944 0 40 FHAB CN(C)c1cc(C(=O)Nc2ccc(Oc3ncccn3)cc2)cc(Cl)n1 83854179 ONKZHKPRZAULTO-UHFFFAOYSA-N 369.812 3.636 0 40 FHAB COc1cccc(OC)c1CN[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 95435782 VMSJZEUHXMUBOJ-PKOBYXMFSA-N 354.494 3.847 0 40 FHAB Cc1cccc(CN2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)c1 1615123444 RJIQZDKOGYHDPF-QHCPKHFHSA-N 364.489 3.783 0 40 FHAB CN(C[C@@H](Cc1ccc(Br)cc1)C(=O)O)C(=O)OC(C)(C)C 12648605 WSFDUEKEFAVOIJ-GFCCVEGCSA-N 372.259 3.559 0 40 FHAB C[C@@H](NC(=O)NCc1ccccc1)c1nc(-c2ccc(Cl)cc2)n[nH]1 5001884 ITJYLNBHOMVITH-GFCCVEGCSA-N 355.829 3.686 0 40 FHAB CCC(=O)N(CCc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 5625326 PEFLONQODPSEHZ-UHFFFAOYSA-N 369.852 3.558 0 40 FHAB COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NC(=O)c2cccnc2)cc1OC 12162502 HCGPWYBTIKQQKW-JWWGGVBKSA-N 366.461 3.801 0 40 FHAB COc1ccc2c(c1)C=C(CN1CCC(O)(c3ccccc3F)CC1)CO2 12240449 SQWGEEMHCXMGTD-UHFFFAOYSA-N 369.436 3.594 0 40 FHAB COc1ccc(-c2noc(CCC(=O)Nc3ccc(C(C)=O)cc3)n2)cc1 12831168 IARGXRIPJXZRCN-UHFFFAOYSA-N 365.389 3.519 0 40 FHAB c1ccc(CC2N3[C@@H](Cc4ccccc4)N[C@H](Cc4ccccc4)N23)cc1 19170316 FLEMRTPTNCXWLO-JNUXFGKMSA-N 355.485 3.829 0 40 FHAB COCCOc1ccc(CN2CCC[C@H](c3cc4ncccc4[nH]3)C2)cc1 19593700 IPAVJOFGQBODKJ-SFHVURJKSA-N 365.477 3.968 0 40 FHAB Cc1cc(C)c2nc(C)c(C(=O)Nc3ccc4c(c3)OCC(=O)N4)cc2c1 19665610 KEDZGFMJKQWMTA-UHFFFAOYSA-N 361.401 3.743 0 40 FHAB Cc1cc(C)c(N2C(=O)C[C@H](Sc3ccccc3C(=O)O)C2=O)c(C)c1 101273964 QHLQJZYLTNPTHQ-INIZCTEOSA-N 369.442 3.734 0 40 FHAB O=C(O)/C=C/c1ccc(Cl)c(NC(=S)NC(=O)c2ccccc2)c1 226356933 WOAGKHJPBNGNPL-VQHVLOKHSA-N 360.822 3.565 0 40 FHAB O=C(N[C@@](Cc1ccccc1)(C(=O)O)C(F)(F)F)OCc1ccccc1 16158531 PXBSQCFFRSRVMW-KRWDZBQOSA-N 367.323 3.541 0 40 FHAB Cc1nnc([C@H]2CN(Cc3cccc(OC4CCCC4)c3)C[C@@H](C)O2)o1 668648748 JPTXGFXDCNTHPW-AUUYWEPGSA-N 357.454 3.661 0 40 FHAB CCc1ccc(CN(C)Cc2nc(N)nc(Nc3ccc(C)cc3)n2)cc1 15442598 YXRNZJYYOSJMFS-UHFFFAOYSA-N 362.481 3.700 0 40 FHAB CC(=O)N1CCN(C2CCCC2)C[C@H](Cc2cccc3ncccc23)C1 2037838495 JSZGPAIJJNOPPE-GOSISDBHSA-N 351.494 3.500 0 40 FHAB CC1=CC=CN2C1=NC(C(F)(F)F)(C(F)(F)F)N=C2c1cccnc1 978341 PHXQSYWGDZXQCL-UHFFFAOYSA-N 360.261 3.837 0 40 FHAB COc1ccccc1-c1nnc(NC(=O)Cc2ccc(SC)cc2)o1 10252381 KQILHECZYIFFCZ-UHFFFAOYSA-N 355.419 3.648 0 40 FHAB CC(C)c1ccc(S(=O)(=O)NCC2CCN(C3CCCC3)CC2)cc1 23127616 KCOWAPYZGAOTSS-UHFFFAOYSA-N 364.555 3.743 0 40 FHAB O=S(=O)(c1ccccc1)c1cnc2ccc(F)cc2c1N1CCCC1 23643496 IQCQVPKNZGVNHM-UHFFFAOYSA-N 356.422 3.807 0 40 FHAB Cc1ccc(Nc2nc(NCCO)nc3c2cnn3-c2ccccc2)cc1C 17052968 FHBRIYWQNTUPFK-UHFFFAOYSA-N 374.448 3.580 0 40 FHAB CCC(=O)N1CCc2cc(C(=O)NCCSc3ccccc3)ccc21 40143702 UUCUCQVEOSEOQO-UHFFFAOYSA-N 354.475 3.508 0 40 FHAB O=C(COCCOc1ccccc1)NC(c1ccccc1)c1ccccc1 40128699 YLSGYBPMBATKJJ-UHFFFAOYSA-N 361.441 3.988 0 40 FHAB C[C@@H](C(=O)N[C@@H](c1ccccc1)c1ccccn1)n1cnc2ccccc21 30604260 JOJIXECVGSMCBO-KKSFZXQISA-N 356.429 3.898 0 40 FHAB CN1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 30997328 SPWIHTVYAMCPHO-LJQANCHMSA-N 370.880 3.818 0 40 FHAB C[C@H](NC(=O)CCn1cnc2ccccc2c1=O)c1ccc2ccccc2c1 31404542 IKEOTVBRWCOJKZ-INIZCTEOSA-N 371.440 3.817 0 40 FHAB C[C@@H]1CN(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@@H](C)O1 20507294 BHNRENOVHLLCMZ-GHMZBOCLSA-N 364.795 3.797 0 40 FHAB O=C1Nc2ccccc2[C@@]12CC(O)=Nc1c2cnn1-c1cccc(Cl)c1 20736722 BOEKXGJKICZZHG-LJQANCHMSA-N 364.792 3.756 0 40 FHAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ccc2c(c1)CCC2 7853918 LSCFNPDNVZSVJJ-SNVBAGLBSA-N 360.508 3.720 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)CNc1ccc(F)c(Cl)c1 7972613 SYYMNRLLBVYDRB-UHFFFAOYSA-N 350.777 3.706 0 40 FHAB O=C(CCc1ccccc1)Nc1ccc(I)cc1 1085107 IZGODJUUNOBUQV-UHFFFAOYSA-N 351.187 3.863 0 40 FHAB CCCn1c(SCC(=O)N2c3ccccc3C[C@@H]2C)nnc1C(C)C 1364212 UIFGJXLOIMEXHD-AWEZNQCLSA-N 358.511 3.881 0 40 FHAB Cc1cccc(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)c1C 1365618 GJIOZUAFPMEQIW-UHFFFAOYSA-N 357.498 3.996 0 40 FHAB CCN1C(=O)[C@](O)(CC(=O)c2cc(C(C)C)ccc2C)c2ccccc21 2488734 SVDQDYNJZIABQI-QFIPXVFZSA-N 351.446 3.946 0 40 FHAB CCCc1cc(C(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OCC)no1 2498071 JDBHIPTUPYCKLM-UHFFFAOYSA-N 364.423 3.629 0 40 FHAB Cc1cccc(C)c1Nc1nnc(SCC(=O)NCC(C)C)s1 2644172 PSUMOEKZIVGXII-UHFFFAOYSA-N 350.513 3.763 0 40 FHAB COc1cc2nc(NC(=O)c3cccc(N(C)C)c3)sc2cc1OC 21559094 OAQOEKLUUACLJC-UHFFFAOYSA-N 357.435 3.632 0 40 FHAB CCc1cc2cc3c(cc2nc1SCC(=O)N1CCC(C)CC1)OCO3 4849529 DFQGFIWLBWVOIM-UHFFFAOYSA-N 372.490 3.877 0 40 FHAB O=C(Nc1cc2c3c(c1)CC(=O)N3CCC2)c1cccc(C(F)(F)F)c1 4850513 YHSNPRMPRGCYHJ-UHFFFAOYSA-N 360.335 3.793 0 40 FHAB CC1CCC(N(C)C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)CC1 8988368 IUSUIIPHOMCMHK-UHFFFAOYSA-N 357.498 3.968 0 40 FHAB COc1ccc(C(=O)OCC(=O)Nc2c(C)cccc2C(C)C)c(OC)c1 7183109 KUNDELBIBFFPCA-UHFFFAOYSA-N 371.433 3.931 0 40 FHAB O=C(Nc1nc2ccc(-n3cnnc3)cc2s1)c1cccc(Cl)c1 57340589 QLEMTNGXNKCAAA-UHFFFAOYSA-N 355.810 3.783 0 40 FHAB O=C(NCc1ccc(-n2cccn2)cc1)c1ccc(F)cc1Br 32925657 XZCGGKSSDLQXAF-UHFFFAOYSA-N 374.213 3.704 0 40 FHAB Cc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1NS(C)(=O)=O 10314362 BVFLPESVAFKHQJ-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccccc2F)o1 8571655 DQWFJDXPQVMMRW-UHFFFAOYSA-N 373.409 3.827 0 40 FHAB CC(C)N1C(=O)S/C(=C\c2ccccc2I)C1=O 107719632 JZJDDIUHNMQWPJ-XFFZJAGNSA-N 373.215 3.736 0 40 FHAB CCN(C(=O)Cn1c(S)nnc1-c1ccc(C)cc1)c1ccccc1 41817753 AWHBRPNCSRYGLA-UHFFFAOYSA-N 352.463 3.595 0 40 FHAB COc1cc(CNC(=O)CCc2ccncc2)ccc1OC1CCCC1 53440336 UKNOLYDRFHMCDH-UHFFFAOYSA-N 354.450 3.661 0 40 FHAB O=C(CN1C(=O)c2cccc3cccc1c23)NCc1ccc(Cl)cc1 802858 KWLGICUPNPNEEN-UHFFFAOYSA-N 350.805 3.770 0 40 FHAB CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCC2)cc1 823595 GGTVGGMAAGVBKQ-IBGZPJMESA-N 372.465 3.979 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Sc1nnc2n1CCCCC2 9608781 SPUAMYVYVVHDHM-HOTGVXAUSA-N 372.538 3.623 0 40 FHAB CC(C)c1nn(CN2CCN(Cc3ccccc3)CC2)c(=S)n1C1CC1 23249327 KJDPIVDWUCNKGJ-UHFFFAOYSA-N 371.554 3.648 0 40 FHAB O=C(Nc1sc2c(c1CN1CCOCC1)CCCC2)c1ccc(F)cc1 23230582 NXJBFOWRGLJNRT-UHFFFAOYSA-N 374.481 3.851 0 40 FHAB O=S(=O)(Nc1cccc(Oc2cnccn2)c1)c1cccc(Cl)c1 24575979 QLFDWQHXJBOGGF-UHFFFAOYSA-N 361.810 3.723 0 40 FHAB CC(C)CCn1c(SCC(=O)NCC(F)(F)F)nc2ccccc21 12550478 ZRTZLQHZJSVBLN-UHFFFAOYSA-N 359.417 3.853 0 40 FHAB C[C@@H]1CN(c2ccccc2NC(=O)NOCc2ccccc2)C[C@@H](C)O1 89936879 BYRCQLDPQDUQKZ-HZPDHXFCSA-N 355.438 3.554 0 40 FHAB CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@H](C)CCC(C)C 12552044 FWMBVWCHHXKDLJ-CRAIPNDOSA-N 365.493 3.735 0 40 FHAB CC[C@H](Sc1nnc2[nH]c3ccccc3n12)C(=O)Nc1ccc(F)cc1 12533046 PYNLUGSERHMYOV-HNNXBMFYSA-N 369.425 3.859 0 40 FHAB COc1cccc(OC)c1CN1[C@H]2CC[C@H]1c1cnc(C(C)C)nc1C2 100205185 GNCWJQAACMERPK-KSSFIOAISA-N 353.466 3.879 0 40 FHAB O=C(CSc1nnc(NC2CCCCC2)s1)NCc1ccccc1 3271686 QNJMJBJUQKOJSS-UHFFFAOYSA-N 362.524 3.691 0 40 FHAB Cc1cccc(NC(=O)CN2CCN(c3cccc(C)c3C)CC2)c1C 57364164 GSIFHMVXJZGXRU-UHFFFAOYSA-N 351.494 3.681 0 40 FHAB C[C@@H](CC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)c1ccc(F)cc1 57474090 CHXAZUAUZKZPQG-SJORKVTESA-N 374.500 3.816 0 40 FHAB CCN(CC)C(=O)c1cccc(NC(=O)CN(CC(C)C)CC(C)C)c1 26647815 VPLIKDQCVMVZSU-UHFFFAOYSA-N 361.530 3.721 0 40 FHAB CCn1cc(C(=O)Nc2cc(C)ccc2C)c(=O)c2cc(OC)ccc21 22235722 CYJJNWWOLJGOFO-UHFFFAOYSA-N 350.418 3.899 0 40 FHAB CCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(C)c(Cl)c2)c1 29600727 FTYJBDZKOMVWAR-UHFFFAOYSA-N 352.843 3.662 0 40 FHAB O=C(CSCc1ccccn1)Nc1cccc(-n2cc[nH]c2=S)c1 58167628 WLPFTRLBYBBLTP-UHFFFAOYSA-N 356.476 3.802 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)n2C)cc1 10264013 IUSNEYYXCZOYEB-GOEBONIOSA-N 358.511 3.578 0 40 FHAB Cc1ccc(OCc2nnc3sc(-c4ccc(N(C)C)cc4)nn23)cc1 10311984 GNSPUIBNWGKGIH-UHFFFAOYSA-N 365.462 3.806 0 40 FHAB O=C(c1cc(Br)c[nH]1)N1CCC(OCc2ccccc2)CC1 58391695 CZTLIVUCAFRLAL-UHFFFAOYSA-N 363.255 3.599 0 40 FHAB COCCOc1cccc(NC(=O)N2CCc3[nH]c4ccccc4c3C2)c1 58378270 YQYRARJCHLDQIT-UHFFFAOYSA-N 365.433 3.783 0 40 FHAB Cc1cccc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)c1C 27991580 KJJAPGDLJYCNTH-UHFFFAOYSA-N 350.374 3.982 0 40 FHAB O=C(Nc1ccn(Cc2cccnc2)n1)c1ccc(-c2ccccc2F)o1 58429476 ABYQWYVSJLLUCZ-UHFFFAOYSA-N 362.364 3.978 0 40 FHAB COc1cccc(-c2nnc3sc(-c4c(OC)cccc4OC)nn23)c1 2381604 WRMUONIFIUARLI-UHFFFAOYSA-N 368.418 3.546 0 40 FHAB Cc1nc(NC(=O)[C@H]2COc3ccccc3O2)sc1Cc1ccccc1 36639675 AMUCKTYNEVNMGD-QGZVFWFLSA-N 366.442 3.821 0 40 FHAB Cc1c(-c2nn(-c3ccccc3)c(-c3cnn(C)c3C)c2Cl)cnn1C 36611602 WQUZNFQSLZKDDC-UHFFFAOYSA-N 366.856 3.944 0 40 FHAB CN(Cc1ccc(Cl)s1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 12849885 GFXTZKNTTJXMRV-INIZCTEOSA-N 352.862 3.992 0 40 FHAB CCc1nnc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)s1 3438802 YBUXNVSJWUIJDK-UHFFFAOYSA-N 356.407 3.507 0 40 FHAB COc1cc(CNC(=O)C[C@H]2C=CCC2)ccc1OCc1ccncc1 48446076 GOWPRPVLMXLYAO-INIZCTEOSA-N 352.434 3.642 0 40 FHAB O=C(/C=C/c1cccc(F)c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12997358 YWRANHAZUSINKI-YOCVDRLZSA-N 353.393 3.974 0 40 FHAB CCOc1ccccc1CN(Cc1cccnc1)C[C@@H]1CCCN1CC 22931719 XYDJCNBCBLODHK-NRFANRHFSA-N 353.510 3.967 0 40 FHAB COc1ccccc1[C@H](CNC(=O)c1ccc(C(C)=O)s1)N1CCCC1 13010403 BJMUPUDDKIOKBT-INIZCTEOSA-N 372.490 3.526 0 40 FHAB Cc1ncsc1C(=O)NCc1ccccc1CN1C[C@H](C)C[C@@H](C)C1 48884316 RJZLKWCQXHSUBV-HUUCEWRRSA-N 357.523 3.859 0 40 FHAB CCOc1ccc(-n2cc(-c3ccc(Br)cc3)[nH]c2=O)cc1 3909694 MBTPNLVRGQMZOA-UHFFFAOYSA-N 359.223 3.994 0 40 FHAB CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccccc2C)c1 4089171 WGVWQDUPUDXOTN-UHFFFAOYSA-N 355.463 3.860 0 40 FHAB Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(-c2cccc(Cl)c2)n1 17075362 SFXRKLDQJKKWGP-UHFFFAOYSA-N 366.856 3.944 0 40 FHAB CC(C)c1ccc(CSc2nnc(S[C@H](C)C(N)=O)s2)cc1 6000049 OGSYUMRFMVHHFP-SNVBAGLBSA-N 353.538 3.920 0 40 FHAB O=C(c1c[nH]c(=O)c(Cl)c1)N(Cc1ccccc1)Cc1ccccc1 64856182 CSYCTPJTPNKHHP-UHFFFAOYSA-N 352.821 3.871 0 40 FHAB CC[C@@H](NC(=O)[C@H](c1ccccc1)N1CCCCC1=O)c1nc(C)cs1 78621793 CNRGVXQULLABSU-AEFFLSMTSA-N 371.506 3.773 0 40 FHAB Cc1ccc(C(=O)c2cccc(N3C(=O)c4cccnc4C3=O)c2)cc1C 13941662 MRFMCRSGAADAEV-UHFFFAOYSA-N 356.381 3.730 0 40 FHAB CCCCCn1nc(C(=O)Nc2nc(C)cs2)c2ccccc2c1=O 6377050 HBSBJYUGCIRANI-UHFFFAOYSA-N 356.451 3.604 0 40 FHAB COC(=O)c1cccc(NC(=O)c2ccc(F)cc2Br)c1 14020740 FYYUEBIWXMVOKE-UHFFFAOYSA-N 352.159 3.627 0 40 FHAB COc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1 14186867 MSXDRAFQXAHKLQ-UHFFFAOYSA-N 351.381 3.761 0 40 FHAB COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCC4)cc1OC 18195085 WOJXFRZWBQQBII-UHFFFAOYSA-N 369.446 3.637 0 40 FHAB O=C(COCC(=O)N(c1ccccc1)c1ccccc1)N1CCCCCC1 4739539 WOAHBOYFYOURIC-UHFFFAOYSA-N 366.461 3.771 0 40 FHAB O=C(c1cccc(OC2CCCC2)c1)N1CCN(c2ccc(O)cc2)CC1 66618388 GMQBEEUPRFJHCJ-UHFFFAOYSA-N 366.461 3.676 0 40 FHAB O=C(NCCc1ccccc1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 28221022 JYQFBHCQLHCHJR-IBGZPJMESA-N 356.897 3.911 0 40 FHAB COc1ccc(Br)cc1COc1ccc(Cl)cc1C(N)=O 7022809 SBEDSNMJYRWFLT-UHFFFAOYSA-N 370.630 3.789 0 40 FHAB Cc1cc2oc(=O)cc(COc3ccc(Cl)cc3C(N)=O)c2cc1C 7022717 DYXVMHBDMQERHO-UHFFFAOYSA-N 357.793 3.741 0 40 FHAB CCc1ccc(-c2nnn(Cc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 7041575 FEMVJKDEVWNREI-UHFFFAOYSA-N 366.812 3.654 0 40 FHAB CCN(CC)CCCNc1cc(Sc2ccc(NC(C)=O)cc2)ncn1 7039501 DUQITKWOGHMROJ-UHFFFAOYSA-N 373.526 3.730 0 40 FHAB COc1ccc([C@@H](NS(=O)(=O)c2ccc3c(c2)CCC3)C(C)C)cc1 15332235 OFGHJPNXUSWFQI-FQEVSTJZSA-N 359.491 3.860 0 40 FHAB CC(C)[C@H](NC(=O)c1cn2ccccc2n1)c1ccc2c(c1)OCCCO2 7738588 DNMCAJPLHJNBNF-FQEVSTJZSA-N 365.433 3.623 0 40 FHAB C[C@@H](OC(=O)c1ccccc1OCc1ccc(Cl)cc1Cl)C(N)=O 7792388 FGIHFKUPYFVTSB-SNVBAGLBSA-N 368.216 3.603 0 40 FHAB COc1ccc(Cl)cc1CC(=O)NCc1cccc(NC(=O)C2CC2)c1 9384475 CKWBJLNPSNYZTA-UHFFFAOYSA-N 372.852 3.556 0 40 FHAB CCn1c(C)nnc1SCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 9615022 HMKZXAZIEGRDEO-UHFFFAOYSA-N 373.507 3.769 0 40 FHAB C[C@@H](O)CNc1nc2ccccc2n1Cc1ccc(F)c2cccnc12 72014029 GRTGXICJXTVHHN-CYBMUJFWSA-N 350.397 3.565 0 40 FHAB O=C(O)c1ccc(CSc2nc3c(c(C(F)(F)F)n2)CCCC3)o1 408550168 ASRKRAQRIUHJKE-UHFFFAOYSA-N 358.341 3.958 0 40 FHAB c1cc(-c2ncc(CN3CCN(Cc4cscn4)CC3)s2)cs1 511508216 NSBRAFZXKNMXQK-UHFFFAOYSA-N 362.549 3.646 0 40 FHAB CCCCc1nnc(SCC(=O)Nc2ccc(OCC)cc2)n1CC 408560238 GKUHZLZBFLNPLA-UHFFFAOYSA-N 362.499 3.770 0 40 FHAB Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCc1ccncc1 71326387 UVXMQFQYVFJQPM-UHFFFAOYSA-N 359.842 3.569 0 40 FHAB O=C1CCCN1c1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1 32714961 RPACZSKHMYYVNX-UHFFFAOYSA-N 364.445 3.500 0 40 FHAB O=C(NCc1ccc(-c2ccncc2)cc1)N1C[C@@]2(CCCO2)[C@@H]1C1CC1 556751948 SKAVPPUZXIZRQD-UNMCSNQZSA-N 363.461 3.602 0 40 FHAB O=C(COc1cccc(Oc2ncccn2)c1)N1CCCc2ccccc21 72073350 ATGFVESFDWJLKU-UHFFFAOYSA-N 361.401 3.627 0 40 FHAB Cc1cccc(OCCNC(=O)c2ccc(Cn3ccnc3C)cc2)c1C 223971120 JRCRHQBTMBUYLM-UHFFFAOYSA-N 363.461 3.665 0 40 FHAB CC[C@H](C(=O)Nc1ccc(C)c(C)c1)N(c1cccc(C)c1)S(C)(=O)=O 220494234 GXTZDLWPDYJFDP-LJQANCHMSA-N 374.506 3.795 0 40 FHAB Cn1cnc2c(C(=O)NC3(c4cccc(C(F)(F)F)c4)CCC3)ccnc21 567535791 BMAUDSXQNBVWAE-UHFFFAOYSA-N 374.366 3.796 0 40 FHAB CCOC(=O)C1CCN(C(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)CC1 225342560 BAPOUTFKAKILCN-FQEVSTJZSA-N 373.493 3.525 0 40 FHAB COc1ccc(/C=C/C(=O)NC(C)(C)Cc2ccccc2)c(OC)c1OC 222846094 NRYRGJZOTDCWAP-WYMLVPIESA-N 369.461 3.863 0 40 FHAB O=C(Nc1cccc(C(=O)N2CCCc3cc(F)ccc32)c1)[C@@H]1CCCO1 46295225 SMPGJSKPKGIDAQ-IBGZPJMESA-N 368.408 3.536 0 40 FHAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccccc1 225073784 ILOHTHGBEBMJDI-NRFANRHFSA-N 366.505 3.953 0 40 FHAB CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC)cc1 222434789 MSIHWKPWCYAQOA-SFHVURJKSA-N 366.505 3.653 0 40 FHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)[nH]1 223449887 LDEXVPOYBXIDBB-RTBURBONSA-N 363.490 3.594 0 40 FHAB Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 222718352 VSZNMDVHGOHSGW-HOTGVXAUSA-N 355.434 3.719 0 40 FHAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1 225423598 RNZXHRRIKXROKP-NRFANRHFSA-N 366.505 3.605 0 40 FHAB CSc1nnc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)s1 225822168 DZBRHMARFPPRLM-UHFFFAOYSA-N 370.308 3.509 0 40 FHAB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)COc2ccccc2)c1 225783419 DFOXLVZGQUBJOI-AWEZNQCLSA-N 358.463 3.617 0 40 FHAB COC[C@H]1CCC2(CCN(C(=O)c3cc4ccccc4s3)CC2)N1C 96208272 WBYSCFCGFCQILS-MRXNPFEDSA-N 358.507 3.617 0 40 FHAB CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1Cc1ccccc1 91696215 BDTOBCOZJBFZED-CALCHBBNSA-N 361.482 3.703 0 40 FHAB COc1ccc(CN2[C@H]3CC[C@H]2c2cccnc2C3)cc1Cn1cccn1 247893570 NTCMAOWXTSQAFB-RXVVDRJESA-N 360.461 3.597 0 40 FHAB Cc1noc(C)c1-c1cccc(C2CCN(C(=O)c3cccnc3)CC2)n1 257272680 NDKGLZVADUQQKT-UHFFFAOYSA-N 362.433 3.768 0 40 FHAB COc1ccc2[nH]cc(C(=O)N3[C@@H]4CN(C)[C@@H]5CCCC[C@H]3[C@]5(C)C4)c2c1 257259389 KYDWCAYHVYVDEO-COWZOJLOSA-N 367.493 3.654 0 40 FHAB O=C1C[C@@H](NC2CC(c3cccc(F)c3)C2)CN1c1c(F)cccc1F 541216200 FJAZHWNCHLGRLD-AVVWSFFYSA-N 360.379 3.745 0 40 FHAB Cc1ccn(S(=O)(=O)c2cc(C)c(Br)cc2C(C)C)n1 1776004964 UTQXUBHHCKHLLV-UHFFFAOYSA-N 357.273 3.623 0 40 FHAB O=C(NCC1CCN(CC(F)(F)F)CC1)NC12CC3CC(CC(C3)C1)C2 186909838 OFIYQXCKKAURLU-UHFFFAOYSA-N 373.463 3.529 0 40 FHAB CC(=O)n1cc([C@@H]2CC(=O)OC3=C2CC(=O)C(C)(C)C3)c2ccccc21 5190872 CBFYXNRORDQHOA-CQSZACIVSA-N 351.402 3.975 0 40 FHAB CCN(CC)CCC(CCN(CC)CC)(CNC(C)=O)c1ccccc1 5698973 XQRQKTRXUFMCKE-UHFFFAOYSA-N 361.574 3.524 0 40 FHAB O=C(NC1CC1)[C@@H](Sc1nncn1-c1ccccc1F)c1ccccc1 12795146 VFRGNKPLSUCBBO-KRWDZBQOSA-N 368.437 3.518 0 40 FHAB COc1ccc(Cl)c2c1[nH]c1nc(SCc3cccnc3)nnc12 13555727 OWXJDLMDKQFZFN-UHFFFAOYSA-N 357.826 3.855 0 40 FHAB CN1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2Cl)CC1 14258615 LSAZMGKMUYTLIN-JXMROGBWSA-N 355.869 3.744 0 40 FHAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc4ccccc4n32)c(Cl)c1 17073393 ITFCYSCKLROJDM-OAHLLOKOSA-N 354.797 3.520 0 40 FHAB CCNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)CC)C1 19498445 ZAKKDKAGXLTVDW-QHCPKHFHSA-N 364.489 3.661 0 40 FHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)C4CC4)C3)cc2N1 19520649 GEFRGCKJGCUHOI-UMVBOHGHSA-N 370.419 3.697 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3cccc(-n4cccn4)c3)n[nH]2)cc1 19660045 JEJJKXWDIPJYAJ-UHFFFAOYSA-N 359.389 3.523 0 40 FHAB CC(C)c1nccn1-c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 42696970 WIPBFCXUAFUVES-IAGOWNOFSA-N 353.422 3.601 0 40 FHAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3C)CC2)n1 100148342 FZXWDHRNGGDASN-NRSFXHEJSA-N 364.493 3.893 0 40 FHAB COc1ccc(SCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 7294725 MPSMOPKFNNOUDJ-UHFFFAOYSA-N 372.490 3.812 0 40 FHAB Cn1cc(Cl)c([C@@H]2CCCCCN2S(=O)(=O)c2ccc(F)cc2)n1 12159658 DFBPGYCNCNDVRD-HNNXBMFYSA-N 371.865 3.519 0 40 FHAB Cc1ccc(CCC(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc1Cl 11144775 FELHFJMLYASVHO-UHFFFAOYSA-N 366.870 3.591 0 40 FHAB O=C(Oc1ccc(NC(=O)c2ccccc2Cl)cc1)c1cnccn1 27385260 FIOHXMQMRVZJBY-UHFFFAOYSA-N 353.765 3.602 0 40 FHAB Cc1cc(CN2CCC[C@@]3(CCC(=O)N3CC3CCCCC3)CC2)n(C)n1 1565541550 OIKXBMTYPZLGJN-JOCHJYFZSA-N 372.557 3.656 0 40 FHAB COc1ccc(CC(=O)NCCc2csc(-c3ccccc3)n2)cc1 4166990 BTIOJWMSOZSJRL-UHFFFAOYSA-N 352.459 3.720 0 40 FHAB Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)c1 5099636 IXTRYFZZBHTRMR-UHFFFAOYSA-N 372.490 3.731 0 40 FHAB CCO[C@H]1CC2(CCN(C(=O)c3cc(OC)no3)CC2)c2ccc(C)cc21 2055738788 QMYGLILMFZHLPC-SFHVURJKSA-N 370.449 3.647 0 40 FHAB C[C@H]1CC[C@H](C(=O)N2CCC[C@@]3(CC2)CN(Cc2ccoc2)CCO3)CC1 2055785543 ZMFJBTFOWRDMRT-SYYKKAFVSA-N 374.525 3.689 0 40 FHAB CCn1c(SCCCOc2c(C=O)cccc2OC)nnc1C(C)C 8731772 UYUYNUUOSLLYOC-UHFFFAOYSA-N 363.483 3.804 0 40 FHAB CCc1nc2sc([C@@H](c3ccccc3Cl)N3CCCC3)c(O)n2n1 22852933 MISOVKCWFAPAHD-CQSZACIVSA-N 362.886 3.897 0 40 FHAB O=C(NCc1ccc2c(c1)OCO2)c1csc(Nc2ccccc2)n1 23136767 RSIBCDLMCGZWTC-UHFFFAOYSA-N 353.403 3.545 0 40 FHAB COc1cccc(-c2nc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)no2)c1 44421717 ZBPVUQLNEMZFQA-ZDUSSCGKSA-N 369.808 3.919 0 40 FHAB CSCC[C@](C)(O)CNC(=O)NC(c1ccccc1)c1ccccc1 75157702 QOCIZEOJQVAHQR-FQEVSTJZSA-N 358.507 3.579 0 40 FHAB COc1ccc([C@H](CC(=O)N2CCCCc3ccccc32)NC(C)=O)cc1 40133960 QONLOFVEYKUEEV-FQEVSTJZSA-N 366.461 3.632 0 40 FHAB Cc1cc(C)n(-c2ccc(NC(=O)N3C[C@H](C)OC(C)(C)C3)cc2F)n1 68484097 VKCMVGDMNANVGU-AWEZNQCLSA-N 360.433 3.659 0 40 FHAB Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)NC(C)(C)C)n12 903014 RZWWJKLCPGAHRN-UHFFFAOYSA-N 356.495 3.815 0 40 FHAB CCCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccncc1 4560711 YPUXXGYHEQEXPZ-UHFFFAOYSA-N 367.478 3.789 0 40 FHAB O=C(Cc1ccc(F)cc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 6838785 CXVACGPMIRPXQH-UHFFFAOYSA-N 364.424 3.992 0 40 FHAB Cc1ccc2c(CC(=O)O[C@H](C)C(=O)NCCc3ccccc3)coc2c1 7632053 GLRRMODVCJHONR-MRXNPFEDSA-N 365.429 3.574 0 40 FHAB CC(=O)c1cc(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)n(C)c1 60457728 OYNWGXCNBMIXJX-MRXNPFEDSA-N 362.376 3.637 0 40 FHAB Cc1ccc(SCC(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc1 21973962 YMSZXUAUXZDARK-HNNXBMFYSA-N 355.459 3.608 0 40 FHAB O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1CNc1ccc(Cl)c(Cl)c1 103528132 VOPRBEDUOSXYRV-QWRGUYRKSA-N 359.640 3.881 0 40 FHAB CCOC(=O)c1sc2ncn3nc(-c4ccc(F)cc4)nc3c2c1C 2791669 BDVYTSWQISZRAC-UHFFFAOYSA-N 356.382 3.630 0 40 FHAB CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2ccc(F)cc2)NC(=O)N1 641310 HTFXGEBVTCLSDA-SFHVURJKSA-N 353.397 3.709 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C)cc1C 779355 WKUIAMHGISBGRM-UHFFFAOYSA-N 358.492 3.891 0 40 FHAB Cc1nc(CN2CCN(C(=O)Nc3cccc4ccccc34)CC2)cs1 22893621 MIAFXCNAIMPOJB-UHFFFAOYSA-N 366.490 3.954 0 40 FHAB O=C(CNC(=O)c1ccoc1)N[C@@H](c1ccc(Cl)cc1)c1cccs1 53901584 HZWLICPOBVRVAY-KRWDZBQOSA-N 374.849 3.630 0 40 FHAB CC[C@H]1CCc2c(sc3ncn4nc(Cn5nc(C)cc5C)nc4c23)C1 2803803 MOVHEBJHCFAHGF-ZDUSSCGKSA-N 366.494 3.716 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc(OC)c1 22523036 XRMGVBPZYLAUEA-GOSISDBHSA-N 357.406 3.668 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)cc1 47212160 PLQAMTRVOLGUMX-UHFFFAOYSA-N 356.403 3.683 0 40 FHAB CCc1cccc(N2CCC(NC(=O)Cc3noc4ccccc34)CC2)c1 61560575 SXHILBSXERJMSP-UHFFFAOYSA-N 363.461 3.718 0 40 FHAB COC(=O)c1cc(CN(C)C(=O)Cc2coc3c(C)c(C)ccc23)oc1C 24278929 QOHUVYVUUMTQLP-UHFFFAOYSA-N 369.417 3.939 0 40 FHAB CN(C)c1ccc(NC(=O)C2(c3cccc(Br)c3)CC2)nc1 68803521 JHRDHQATMMZAPF-UHFFFAOYSA-N 360.255 3.580 0 40 FHAB Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2ccccc2O)c1 24757052 UGHMBLQGRTVEFI-UHFFFAOYSA-N 353.447 3.926 0 40 FHAB Cc1cnc(C(=O)Nc2c(-c3ccc(F)cc3)nc3sccn23)cn1 12535366 WKZNRMIWFALDOY-UHFFFAOYSA-N 353.382 3.553 0 40 FHAB CCN(CC)[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1Cl 25873737 VPHCIPXCFYMMAN-GOSISDBHSA-N 366.914 3.701 0 40 FHAB O=C(Cn1nc(C(F)(F)F)cc1C1CC1)N[C@H]1CCCc2ccccc21 27936948 LLAMXKVKKDFBQX-HNNXBMFYSA-N 363.383 3.973 0 40 FHAB O=C(Nc1cccc(OC(F)F)c1)N[C@@H]1CCN(Cc2ccccc2)C1 47906730 KAQCQSCFXRKDGX-MRXNPFEDSA-N 361.392 3.684 0 40 FHAB Cc1c(C(=O)Nc2ccc3c(c2)OCCCO3)cnn1-c1ccccc1F 24860196 HJSVFBJBZYHGHN-UHFFFAOYSA-N 367.380 3.733 0 40 FHAB COC(=O)c1ccc(-c2csc(NC(=O)c3ccc(OC)cc3)n2)cc1 3242200 XAXAXTXBYZVQKX-UHFFFAOYSA-N 368.414 3.858 0 40 FHAB Cc1ccc(C(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)c(C)c1 27126835 NPPZUHPZWZBJSY-INIZCTEOSA-N 362.433 3.952 0 40 FHAB NC(=O)c1ccc(Cl)cc1OCc1nc2ccccc2n1C(F)F 58364327 SPHDJFAUECWIPA-UHFFFAOYSA-N 351.740 3.763 0 40 FHAB COc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)cc2)cc1Cl 20111608 CCPYXUDTNSSUOW-UHFFFAOYSA-N 369.870 3.614 0 40 FHAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1coc(-c2ccc(F)cc2)n1 58426051 KSCCUNJJTXFQJL-WBAXXEDZSA-N 358.413 3.787 0 40 FHAB C[C@H](Nc1nc(-c2cccnc2)nc2sc3c(c12)CCC3)C(C)(C)O 58430596 CLTGQRXAFXERBV-NSHDSACASA-N 354.479 3.813 0 40 FHAB CCOc1ccc([C@@H]2C[C@@H](c3ccc(OC)cc3)Nc3ncnn32)cc1 2220693 KGHSQIYQIKCVPT-OALUTQOASA-N 350.422 3.832 0 40 FHAB COc1ccc(CN(C)C(=O)c2ccc3c(c2)NC(=O)CCS3)cc1F 12892396 FZJYNLDJFMUIPI-UHFFFAOYSA-N 374.437 3.541 0 40 FHAB COc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)o2)cc1OC 12993851 SSIMPXJFLMJBTE-UHFFFAOYSA-N 358.419 3.659 0 40 FHAB Cc1nc(-c2cccc(NC(=O)CN3CCn4cccc4[C@H]3C)c2)cs1 12916878 WHSFDKVELBRJAI-CQSZACIVSA-N 366.490 3.935 0 40 FHAB O=C(NCCSC(F)(F)F)NCCc1ccc(C(F)(F)F)cc1 69975589 DBIVKLPJRQLGCY-UHFFFAOYSA-N 360.323 3.800 0 40 FHAB Sc1nc2ccccc2c2nc(-c3ccccc3Br)nn12 13113936 PQJMYCYLIILKRL-UHFFFAOYSA-N 357.236 3.996 0 40 FHAB CCCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCCC(C)C 3899915 WMCZCBURMMAJLY-GOSISDBHSA-N 360.454 3.693 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1C 49640019 RWGPMKJBGPDBFT-UHFFFAOYSA-N 352.438 3.591 0 40 FHAB O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1ccc[nH]1 6122710 OSOZHVXDPNFBOO-UHFFFAOYSA-N 367.788 3.939 0 40 FHAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(C)n(C2CC2)c1C 39978243 FJYZXXBPCDETRP-UHFFFAOYSA-N 366.509 3.752 0 40 FHAB CN(C)c1ccc(-c2nnc3sc(COc4ccc(F)cc4)nn23)cc1 5347428 CXLOGPVMIJZFMH-UHFFFAOYSA-N 369.425 3.637 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)Sc2n[nH]c(/C=C/c3ccccc3C)n2)no1 14196596 XEUHHAQAGDNJIT-MMQHEFTJSA-N 369.450 3.699 0 40 FHAB COc1ccccc1-c1cc(CSc2nnc(C(F)(F)F)n2C)on1 14136507 WLCVXUKASVTDOD-UHFFFAOYSA-N 370.356 3.790 0 40 FHAB Cc1csc(N(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)c2ccccc2)n1 14199831 HOYRUUSRRRONKP-KRWDZBQOSA-N 364.426 3.898 0 40 FHAB COc1ccc(NC(=O)c2ccc(Br)cc2F)c(OC)c1 14129679 ILESPRXJWLHGNS-UHFFFAOYSA-N 354.175 3.858 0 40 FHAB O=C(CSc1ccc2c(c1)OCCCO2)Nc1ccc(Cl)cn1 6587130 AXOOKZUWDLVGOE-UHFFFAOYSA-N 350.827 3.627 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)Nc1cc(Cl)ccc1-n1cncn1 6879421 YIWLVHUXNCQZPB-UHFFFAOYSA-N 351.797 3.583 0 40 FHAB COc1ccc(NC(=O)CNc2ccccc2N2CCCCC2)c(OC)c1 4904525 XUSAZCONGPMBCP-UHFFFAOYSA-N 369.465 3.745 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 4975615 VKKYZPJLWXCQON-AWEZNQCLSA-N 372.852 3.957 0 40 FHAB CCOCCn1c([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 8845072 VVXYHTJKGYPLBU-GOSISDBHSA-N 363.461 3.589 0 40 FHAB COc1cc(S(=O)(=O)n2cc(C)nc2-c2ccccc2)c(C)cc1C 7425088 GACQHIAPFNICIY-UHFFFAOYSA-N 356.447 3.721 0 40 FHAB COCCN1C(=O)c2oc3cc(C)ccc3c(=O)c2[C@H]1c1ccc(C)cc1 8917071 PEFCVRMWHPISBC-LJQANCHMSA-N 363.413 3.601 0 40 FHAB COc1ccc([C@@H](NC(=O)Nc2ccc(Cl)cc2)c2nccn2C)cc1 9366834 HXLJYTVJJKHRSP-QGZVFWFLSA-N 370.840 3.993 0 40 FHAB O=C(Cc1ccc(Cl)cc1)NCCc1csc(-c2ccncc2)n1 19942515 DBGOZSIDTJXTQL-UHFFFAOYSA-N 357.866 3.760 0 40 FHAB Clc1nnc(NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)s1 97143590 AGAJAXBBSQXUJH-UHFFFAOYSA-N 361.645 3.691 0 40 FHAB CN1CCN(C(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)CC1 89382555 PHEYXKYIQYYEFI-XDJHFCHBSA-N 372.415 3.603 0 40 FHAB CCn1nc(C)cc1NC(=O)c1ccn(COc2ccc(Cl)c(C)c2)n1 32647778 QKDACRYWKCMBKO-UHFFFAOYSA-N 373.844 3.659 0 40 FHAB CCc1ccc(OCC(=O)NCCCN2CCCc3ccccc32)cc1 218958325 YVHGRWUDEFRFNT-UHFFFAOYSA-N 352.478 3.587 0 40 FHAB COc1ccc(S(=O)(=O)c2cnc3c(F)cccc3c2Cl)cc1 72329776 JHGWADJJBXCQMH-UHFFFAOYSA-N 351.786 3.869 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)NCc2ccc(-n3ccnc3C)cc2)c1C 216409637 WIBKBZABHXAPFB-QGZVFWFLSA-N 363.461 3.881 0 40 FHAB CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(Cl)cc2)CC1 38260907 QIOIWMKXKAAXTR-UHFFFAOYSA-N 359.875 3.513 0 40 FHAB O=C(O)[C@@H](c1ccsc1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 566361096 FGETYGGWZGOQJL-LSDHHAIUSA-N 369.389 3.549 0 40 FHAB CCCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCc1ccc(OC)cc1 222752976 CSMFFJFNCDCARG-KRWDZBQOSA-N 368.477 3.529 0 40 FHAB CC1CCN(Cc2ccc(C(=O)NCCCN3CCCCCC3)cc2)CC1 44907935 NXBIJQWPBBBYRT-UHFFFAOYSA-N 371.569 3.914 0 40 FHAB COc1ccc(-c2nnsc2C(=O)Nc2cccc(C(C)=O)c2)cc1 225762738 LVHLJZHYRZGSKO-UHFFFAOYSA-N 353.403 3.669 0 40 FHAB C[C@H]1Oc2ccccc2N(Cc2nc(-c3ccc(Cl)c(F)c3)no2)C1=O 44166312 BKAJNOLGDYCUQG-SNVBAGLBSA-N 373.771 3.843 0 40 FHAB Cc1cc(-c2nc(NC(=O)C(C)(C)C)sc2CC(=O)O)ccc1F 85397388 NFXPJEJEWHNVMT-UHFFFAOYSA-N 350.415 3.869 0 40 FHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 225002821 JGCWITXOLSLFRW-MOPGFXCFSA-N 366.505 3.870 0 40 FHAB CC(C)N1C[C@@H]2Oc3cc(-c4ccc(F)cc4F)ccc3C(=O)N(C)[C@@H]2C1 514289877 PPXUAOBINJNSEJ-QUCCMNQESA-N 372.415 3.557 0 40 FHAB biogenic,in-vitro COc1cc2c(cc1Br)CCN(C)C[C@@H]2c1ccc(N)cc1 146109165 WPIFRULRSUCIFT-MRXNPFEDSA-N 361.283 3.660 0 40 FHAB CC[C@@H](C)Oc1cc(CNC(=O)c2cnnc(-c3ccccc3)c2)ccn1 578565814 NTEFSGHVEVXYKR-OAHLLOKOSA-N 362.433 3.646 0 40 FHAB Cc1cc(N2CCN(c3nc4ccccc4s3)CC2)nc(C2CC2)n1 536085824 GGJFVTKWDZJLSG-UHFFFAOYSA-N 351.479 3.599 0 40 FHAB COc1ccc(C2CCN(C(=O)c3ccnc(-c4ncc[nH]4)c3)CC2)cc1 645678869 PCWYHZHRMANCTG-UHFFFAOYSA-N 362.433 3.500 0 40 FHAB C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1cn2ccccc2n1 674327139 QNNKMNYMDALVSP-YJYMSZOUSA-N 352.413 3.596 0 40 FHAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@H](Oc2ccccc2)C1 603508624 SWDZFQXFTMFMSV-AWEZNQCLSA-N 369.845 3.711 0 40 FHAB COC(=O)[C@H]1CN(C(=O)N[C@H](c2ccccc2)C2CC2)Cc2ccccc21 598957567 YGWUTMVTNBESKP-VQTJNVASSA-N 364.445 3.620 0 40 FHAB COC[C@@H]1CN(Cc2ccsc2)CC12CCN(Cc1ccoc1)CC2 585103554 POGLAYFSEAUHFZ-IBGZPJMESA-N 360.523 3.702 0 40 FHAB O=C(Cc1noc2ccccc12)N(Cc1ccccc1)C[C@H]1CCCO1 56149538 VKGGAFUSGBQDIA-QGZVFWFLSA-N 350.418 3.578 0 40 FHAB C[C@@H](NC(=O)c1cccc(I)c1)c1cccs1 5579008 VLCZECOKOANPST-SECBINFHSA-N 357.216 3.844 0 40 FHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)CCC2CCCCC2)cc1 5987187 YNVBVCLVODIJAP-CQSZACIVSA-N 360.454 3.876 0 40 FHAB Cc1ccc(NC(=O)CSc2ncn(-c3ccccc3)n2)cc1Cl 11474797 MKYYQHORWQTOOE-UHFFFAOYSA-N 358.854 3.960 0 40 FHAB COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cccc2ccccc12 11615688 ZULRPZYPOYMTNO-UHFFFAOYSA-N 370.430 3.608 0 40 FHAB COc1ccc(OCC(=O)Nc2nc(-c3ccccc3)cs2)cc1OC 13894124 WBPGQKRFTXHLED-UHFFFAOYSA-N 370.430 3.845 0 40 FHAB O=C(Nc1ccc(Cl)cc1)N1CCN(C(=O)OCc2ccccc2)CC1 16480276 QNVCPTWPBVUCTM-UHFFFAOYSA-N 373.840 3.826 0 40 FHAB CCOc1c(Br)cc(C(=O)Nc2ccncc2)cc1OC 17583706 BZAQPNYYYQYHQV-UHFFFAOYSA-N 351.200 3.504 0 40 FHAB Cc1nc2ccccc2c(C)c1CC(=O)N(C)Cc1ccc2c(c1)OCO2 18155713 AKZURSFVFUHFNJ-UHFFFAOYSA-N 362.429 3.781 0 40 FHAB O=C(CSc1nnc(Nc2ccccc2F)s1)N1CCCCCC1 3343877 JBIVIWUKRCEBGW-UHFFFAOYSA-N 366.487 3.916 0 40 FHAB Cc1ccc(NC(=O)Cc2cn3ccsc3n2)c(Br)c1 9318313 PAGRWZNCWKTYPH-UHFFFAOYSA-N 350.241 3.648 0 40 FHAB CN(c1ncc(Cl)cn1)C1CCN(c2ccnc3ccccc23)CC1 1889179546 SWRABIAYYJLGDA-UHFFFAOYSA-N 353.857 3.783 0 40 FHAB CC(=O)Nc1ccc(NC(=O)C[C@H](NC(C)=O)c2ccccc2Cl)cc1 32922318 VJYBGISONHFIJM-SFHVURJKSA-N 373.840 3.504 0 40 FHAB CN(Cc1ccc(Br)cc1)C(=O)c1cccnc1N1CCCC1 37111889 GAPUXTONIXWRLH-UHFFFAOYSA-N 374.282 3.717 0 40 FHAB O=C(Oc1ccc(C(=S)N2CCOCC2)cc1)c1ccc(Cl)cc1 1056343 VSTMZIFFRIBEKE-UHFFFAOYSA-N 361.850 3.567 0 40 FHAB CCOC(=O)[C@@H](CC)Sc1ncnc2c1cnn2-c1ccc(C)cc1C 4341771 YDZWRHKXJGVZSK-MRXNPFEDSA-N 370.478 3.866 0 40 FHAB Cc1ccc(C(=O)N(c2cccc(Cl)c2)[C@H]2C=CS(=O)(=O)C2)cc1 5070645 XXCJBBWAQFAGEE-KRWDZBQOSA-N 361.850 3.606 0 40 FHAB CCOCC(=O)Nc1ccc(-c2nnc(N(C)c3ccccc3)s2)cc1 11797054 FVVHWBVXXMAZQJ-UHFFFAOYSA-N 368.462 3.948 0 40 FHAB COc1ccc(Cl)cc1-c1nnc2n1N=C(c1ccccc1)CS2 15083063 GIHKLAAXALCAOJ-UHFFFAOYSA-N 356.838 3.965 0 40 FHAB CCC(=O)N1CCCc2ccc(NC(=O)CCc3ccc(OC)cc3)cc21 17247670 KMPBJLIQTPWVCO-UHFFFAOYSA-N 366.461 3.956 0 40 FHAB CN(C)[C@H](CNC(=O)Nc1ccc2c(c1)OCO2)c1cc2ccccc2o1 575620014 HOMYMYUQEOBCGX-OAHLLOKOSA-N 367.405 3.586 0 40 FHAB O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(Br)cc1 4275947 ROFWDVWYVQTGCE-UHFFFAOYSA-N 362.158 3.891 0 40 FHAB O=C(/C=C/c1ccco1)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1 48985220 HINHXRMMHJXFDR-DHZHZOJOSA-N 372.388 3.651 0 40 FHAB O=C(NC[C@H]1CCN(c2ccccc2)C1)c1cccc(Br)c1 31236130 FNLSFHPDBUXCCC-CQSZACIVSA-N 359.267 3.705 0 40 FHAB Cc1nc2ccc(NC(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)cc2s1 10404452 GAKGVNVAAPZUTP-ZDUSSCGKSA-N 355.394 3.808 0 40 FHAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(Cc2ccccc2)CC1 20311862 WUHZWXWMGNXTCB-LJQANCHMSA-N 374.484 3.952 0 40 FHAB Cc1cc(C(=O)NC[C@H](C)N2CCc3sccc3C2)c2ccccc2n1 31964236 OMIDAYIWSLPYSA-HNNXBMFYSA-N 365.502 3.781 0 40 FHAB CCOc1ccccc1NC(=O)COC(=O)c1ccc(F)c(Cl)c1 51354027 NETZSOMJQBBSQJ-UHFFFAOYSA-N 351.761 3.673 0 40 FHAB COC(=O)c1cnc2cc(OCc3ccc(OC)cc3)c(OC)cc2c1 1857793836 DVKRUPAWYCZGCD-UHFFFAOYSA-N 353.374 3.618 0 40 FHAB Cc1cc(C)cc(OCC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c1 8062011 JYGQTZYBTRIHLR-QFIPXVFZSA-N 369.461 3.967 0 40 FHAB C[C@H](NC(=O)N[C@H](c1ccccc1F)c1nccn1C)c1ccccc1F 29330509 BIFKCODWDSBOSY-SCLBCKFNSA-N 370.403 3.848 0 40 FHAB Cc1sc(-c2ccco2)nc1C(=O)NCCCN(C)c1ccccc1 29401498 NEZPQSAUERMJHQ-UHFFFAOYSA-N 355.463 3.968 0 40 FHAB COc1cccc(-c2nc(C(=O)Nc3cc(C)ccn3)cs2)c1OC 29520248 DUPFOTZQSMHLOL-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB COc1cc(OC)cc(-c2nnc(SCC(=O)c3ccccc3F)o2)c1 929512 TVOPIURJYJXDSE-UHFFFAOYSA-N 374.393 3.868 0 40 FHAB CC1(C)C[C@H]2C[C@](C)(CN2CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 2139602 PEVHSLDAYIFANO-HJPURHCSSA-N 365.521 3.953 0 40 FHAB O=C1O[C@H](CC(=O)c2ccccc2)C(Br)=C1Oc1ccccc1 3169084 RUAWEDXDVNDMLN-OAHLLOKOSA-N 373.202 3.870 0 40 FHAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)NC1CCCCC1 4966458 IVSBQDRFKPPMCF-UHFFFAOYSA-N 357.523 3.925 0 40 FHAB Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)c1ccc(F)c(F)c1 6060436 IKWBOIYZFFYTEX-UHFFFAOYSA-N 360.143 3.894 0 40 FHAB Cc1cc(C(=O)COC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c(C)n1C(C)C 102481795 VMDOHXQPVJAZNZ-WZGNDQMWSA-N 373.493 3.743 0 40 FHAB O=C(Nc1ccccc1N1CCOCC1)c1csc(-c2ccsc2)n1 8131920 IDORUCPTCKYZHM-UHFFFAOYSA-N 371.487 3.961 0 40 FHAB CCC[C@@H]1NC(=O)N(CN(C)[C@H](c2ccccc2)c2ccc(F)cc2)C1=O 104104724 QLZNOLZVSRRYIY-RBUKOAKNSA-N 369.440 3.525 0 40 FHAB Cc1ccn(C(=O)CCNC(=O)c2ccsc2)/c(=N/C2CCCCC2)c1 23199422 XGNPBYRHTZBYAN-RELWKKBWSA-N 371.506 3.552 0 40 FHAB CCNC(=O)c1ccc(NC(=O)N(C)[C@H](C)c2ccccc2OC)cc1 47562203 DAXDTAHLPZMXGM-CQSZACIVSA-N 355.438 3.670 0 40 FHAB COc1ccc(C(=O)Nc2cccc(Br)c2)c(OC)c1OC 8206228 RAXCDMGEPKYMSU-UHFFFAOYSA-N 366.211 3.727 0 40 FHAB Cn1c(CNC(=O)COc2ccc(Cl)cc2Cl)nc2ccccc21 12529347 WVAAYQWPIHVCNQ-UHFFFAOYSA-N 364.232 3.575 0 40 FHAB Cc1cccc(C)c1NC(=O)CN1C(=O)COc2cc(C(C)(C)C)ccc21 44841471 PDSKIDIXXHNLET-UHFFFAOYSA-N 366.461 3.965 0 40 FHAB CCOc1ncccc1C(=O)OCC(=O)Nc1ccc([C@@H](C)CC)cc1 3279800 UUTHOJNQFFHRKA-AWEZNQCLSA-N 356.422 3.789 0 40 FHAB O=C(NCc1cc2ccccc2[nH]1)[C@H]1CC(c2ccc(Cl)s2)=NO1 58903758 XOWXTEBDQWTAAM-CQSZACIVSA-N 359.838 3.692 0 40 FHAB O=C(NCCc1cn2ccccc2n1)N1CCC[C@@H]1c1ccc(F)cc1 45425015 AKLJAYPLDXJECN-GOSISDBHSA-N 352.413 3.563 0 40 FHAB Cc1ccccc1OCC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 11139769 KVOGSVPJHYRLPD-UHFFFAOYSA-N 358.825 3.793 0 40 FHAB NC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1 2441969 XBOGFVGEISPOGF-UHFFFAOYSA-N 372.428 3.745 0 40 FHAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1c[nH]nc1-c1ccc(Cl)cc1 28972820 ZZAVDHWPBXQANT-UHFFFAOYSA-N 365.824 3.879 0 40 FHAB COc1cccc(NC(=O)CN(C)C(=O)c2ccc(Cl)c(Cl)c2)c1 3374889 TVCIEUFINUSONZ-UHFFFAOYSA-N 367.232 3.713 0 40 FHAB O=C([C@@H]1CC(c2cccc(F)c2)=NO1)N(Cc1ccccc1F)C1CC1 36760318 CKBPZWXNRUEXLP-IBGZPJMESA-N 356.372 3.649 0 40 FHAB COc1cccc(CNC(=O)c2c(C)nn(-c3ccccc3)c2Cl)c1 3354538 OEOISSSNZIEIPV-UHFFFAOYSA-N 355.825 3.773 0 40 FHAB COc1cccc(-n2ccnc2SCCC(=O)NC2CCCCC2)c1 12745934 LQEPUKCWAAIHBW-UHFFFAOYSA-N 359.495 3.812 0 40 FHAB COc1ccc([C@H]2CCCN2Cc2cc(=O)oc3cc(O)ccc23)cc1 12736617 XUMNURLVGZHRMV-LJQANCHMSA-N 351.402 3.844 0 40 FHAB C[C@@H](Cn1ccnc1)NC(=O)Nc1ccc(N2CCc3ccccc32)cc1 48332524 STUCISYEHJIGPC-INIZCTEOSA-N 361.449 3.788 0 40 FHAB CC(=O)NCc1ccc(C(=O)[C@H](C)OC(=O)c2cc3ccccc3s2)o1 8329104 SHXZINSXGCMKJZ-NSHDSACASA-N 371.414 3.559 0 40 FHAB Cn1c(-c2ccc(F)cc2)nn(CN2CCc3sccc3C2)c1=S 12929239 MTVPTUYZLXKXSU-UHFFFAOYSA-N 360.483 3.834 0 40 FHAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccccc2O)cc1 12986840 JMTHSCQEMDQJFV-UHFFFAOYSA-N 352.390 3.757 0 40 FHAB CC(C)c1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 48780296 BGMNXNZJEONVAW-INIZCTEOSA-N 360.523 3.911 0 40 FHAB CCOc1ccc(NC(=O)CCc2nc(-c3ccccc3)no2)cc1OC 8388070 LNFZZLRORDCFAJ-UHFFFAOYSA-N 367.405 3.715 0 40 FHAB C[C@@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1ccc(Cl)cc1Cl 13008093 KVXZIHFPFTWRPI-GFCCVEGCSA-N 365.260 3.770 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)NCCc1ccc(Cl)cc1)CC2 17112541 DIZXLIDDVAIVCN-UHFFFAOYSA-N 374.868 3.668 0 40 FHAB O=C(NCCCn1ccnc1)Nc1ccc(Oc2ccc(Cl)cc2)nc1 64565092 WLUWMQUDXLYIMN-UHFFFAOYSA-N 371.828 3.936 0 40 FHAB Cn1c(-c2cccnc2)nn(CN(Cc2ccc(F)cc2)C2CC2)c1=S 14121057 WIOLSCDORDITQM-UHFFFAOYSA-N 369.469 3.774 0 40 FHAB Cc1ccc2c(C)c(CCC(=O)Nc3ccc4c(c3)OCO4)c(=O)oc2c1 14142165 YODUBWLJYKLTQV-UHFFFAOYSA-N 365.385 3.710 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)c2ccc3c(c2)NC(=O)CS3)cc1 8707200 PHTWXQNOYQRUSJ-QGZVFWFLSA-N 368.458 3.717 0 40 FHAB CN(CCc1ccc(F)cc1)C(=O)/C=C/c1cc(Cl)c2c(c1)OCO2 65847253 KWDBNDANGUXITJ-QPJJXVBHSA-N 361.800 3.922 0 40 FHAB O=C(CSc1ncccn1)N1N=C(c2cccs2)C[C@H]1c1ccco1 6589791 JHLXUCNTSFYMMI-ZDUSSCGKSA-N 370.459 3.601 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)c1cc2c(s1)CCCC2)c1ccccc1 8749732 QOHVDLDSVWVBQG-SFHVURJKSA-N 351.475 3.880 0 40 FHAB CCC(C)(C)C1CCC(NC(=O)C[C@@H](NC(N)=O)c2cccs2)CC1 14527806 KMEJGFGQDUAQST-YMAMQOFZSA-N 365.543 3.959 0 40 FHAB COc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C(C)C)cc1 4736117 BUWYIKQJZYXTBB-UHFFFAOYSA-N 372.450 3.858 0 40 FHAB O=C(OCc1ccccc1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 5603336 CVNQTYNVTWVNIQ-UHFFFAOYSA-N 357.365 3.844 0 40 FHAB O=C(COc1ccc(C(F)(F)F)cn1)N[C@@H]1CCCc2ccccc21 5694309 NGRAUDJLCLGBLU-OAHLLOKOSA-N 350.340 3.673 0 40 FHAB Cc1cc(C)cc(NC(=O)CSc2nccn(-c3ccccc3)c2=O)c1 6915231 OQYQOCVQTFZQNI-UHFFFAOYSA-N 365.458 3.580 0 40 FHAB CCCCC1CCC(C(=O)Nc2nnc(S(=O)(=O)CCC)s2)CC1 9137996 LRBCKFRLIOEJKH-UHFFFAOYSA-N 373.544 3.657 0 40 FHAB CCn1nc(C(=O)Oc2ccccc2C(F)(F)F)c2ccccc2c1=O 8923432 GBPCTNLOCOYIMG-UHFFFAOYSA-N 362.307 3.654 0 40 FHAB Cc1nnc(SCC(=O)N[C@H](C)c2ccccc2Cl)n1C1CC1 7617863 VELGCQAAMMFLPS-SNVBAGLBSA-N 350.875 3.544 0 40 FHAB COC(=O)[C@@H](C)c1c(C)nn(Cc2nc(-c3ccccc3)oc2C)c1C 84013973 PAFUERBWYDIUAC-LBPRGKRZSA-N 353.422 3.788 0 40 FHAB C[C@H](NC(=O)c1ccc(-n2cccc2)cc1)c1ccc(-n2cncn2)cc1 9884771 DFJBXYJLMGIHFA-INIZCTEOSA-N 357.417 3.549 0 40 FHAB COc1ccc2nc(NC(=O)c3cc(OC)c(OC)cc3OC)sc2c1 9591326 YJMMOFNZFKJRTG-UHFFFAOYSA-N 374.418 3.583 0 40 FHAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccccc2OC)C1=O 9513238 LGQOWNJKASZFBV-IBGZPJMESA-N 358.825 3.706 0 40 FHAB CCc1ccc(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1 9659393 QNZKKBFTWLQLBV-UHFFFAOYSA-N 355.419 3.732 0 40 FHAB Cc1nnc2sc(-c3ccc(NC(=O)c4ccccc4F)cc3)nn12 9668744 MEWPEQNCEVQJNT-UHFFFAOYSA-N 353.382 3.553 0 40 FHAB Clc1ccccc1C1=NN=C(NCc2ccc3c(c2)OCO3)SC1 9690021 OJYBPJUOZAHQLS-UHFFFAOYSA-N 359.838 3.665 0 40 FHAB CCc1ccc(-c2n[nH]c3c2[C@@]2(C(=O)O)C[C@@H](N3)c3ccccc3O2)cc1 72332283 RMCCQXSDBPUCKB-QVKFZJNVSA-N 361.401 3.868 0 40 FHAB COCc1ccc(C(=O)Nc2c(SC)cnn2-c2ccccc2)cc1 95965063 KBLFHGUHXJIDJN-UHFFFAOYSA-N 353.447 3.993 0 40 FHAB Cn1ncc(Cl)c1-c1nnc2sc(-c3ccc(Cl)cc3F)nn12 79489443 NBFJRSQZGTVZPS-UHFFFAOYSA-N 369.212 3.699 0 40 FHAB COc1ccc([C@H](O)[C@@H](C)Nc2nccc(OCc3ccccc3)n2)cc1 89634527 PWWLMVGBDLSMSP-FOIQADDNSA-N 365.433 3.598 0 40 FHAB Cn1ncc2c1CCC[C@@H]2NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 89745456 LHYNGGQPASRYGY-WWGRRREGSA-N 363.383 3.736 0 40 FHAB CCCN1C(=O)N/C(=C/c2cc(Cl)c(OC(C)C)c(OCC)c2)C1=O 409240469 KVMGGUVTUWCDOU-NTEUORMPSA-N 366.845 3.829 0 40 FHAB Cc1nnc(S/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)O)o1 211536639 COWZEULYGCMVFI-ZSOIEALJSA-N 372.358 3.554 0 40 FHAB CCCN(CCC)C(=O)CN1C(=O)C(c2ccccc2)=NC12CCCCC2 71327963 WQFCBKQOVCYQMS-UHFFFAOYSA-N 369.509 3.627 0 40 FHAB C[C@H](Sc1nccn1C)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 36202859 LHRBCLJPCRCKRV-QMMMGPOBSA-N 361.801 3.794 0 40 FHAB Cc1nccn1-c1cccc([C@H]2CCCN(CCOc3ccccc3)C2)n1 72379203 ZKLVOSYYNQXTBQ-IBGZPJMESA-N 362.477 3.834 0 40 FHAB CCc1cccc(C)c1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 30755855 ZCCZGICWIOEYJR-UHFFFAOYSA-N 366.870 3.835 0 40 FHAB Cc1ccc(Oc2cccc([C@H]3CCCN3C(=O)c3nccn3C)n2)cc1 72384429 AOTARBLKKUOEMJ-GOSISDBHSA-N 362.433 3.893 0 40 FHAB CCCN1CCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 72216464 BSINKZDALCPDHC-SFHVURJKSA-N 374.529 3.686 0 40 FHAB COc1ccc(-c2noc(CNC(=S)Nc3ccc(C)cc3)n2)cc1 78441985 FDICFZMGWHJXSQ-UHFFFAOYSA-N 354.435 3.540 0 40 FHAB O=C(NCc1ccc(Br)cc1)c1cn[nH]c1-c1ccccc1 72328818 VOOBMUOLCRZWTK-UHFFFAOYSA-N 356.223 3.769 0 40 FHAB C[C@H](NCc1cc(-c2ccc(F)cc2)cn2nnnc12)c1cccs1 72392367 GQUNYVRBDQDWOV-LBPRGKRZSA-N 353.426 3.843 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCc1ccc2c(c1)OCO2 139155268 MJYMKSHPYKNVOR-CQSZACIVSA-N 368.433 3.515 0 40 FHAB CCCCNC(=O)CSc1ncnc2c(-c3cccc(F)c3)c[nH]c12 71328167 JPVVJEPOKVBKSJ-UHFFFAOYSA-N 358.442 3.772 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 223620996 CFPYMRUHSXBHSI-MRXNPFEDSA-N 372.896 3.744 0 40 FHAB COc1ccccc1OCCNC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 46086278 VPDPKAKHSZMJDG-AWEZNQCLSA-N 363.841 3.620 0 40 FHAB CC(C)Oc1ccc(NC(=O)C2(C3(C(=O)N4CCCC4)CC3)CC2)cc1 225925926 UREGSLQEESIWLO-UHFFFAOYSA-N 356.466 3.595 0 40 FHAB C[C@@H]1C[C@H](Nc2ncnc3cc(F)c(Br)cc23)c2nccn21 574248196 VPRZJNQETCYCAN-OQPBUACISA-N 362.206 3.846 0 40 FHAB CN(C)[C@@H](CNC(=O)c1cc2ccccc2o1)c1cn(C)c2ccccc12 75149177 IFRUZKKJWPPKRE-IBGZPJMESA-N 361.445 3.957 0 40 FHAB O=C(Nc1cc2c(cn1)CCCC2)N1CC2(CCC2)[C@H]1C1CCOCC1 572030827 ZJIXUHPWWPJBBR-LJQANCHMSA-N 355.482 3.773 0 40 FHAB Cc1ccc(C(=O)NCc2ccccc2)c(I)c1 225008606 GOYYZTGPELYOFZ-UHFFFAOYSA-N 351.187 3.530 0 40 FHAB CCOc1ccccc1N(C)S(=O)(=O)c1ccc(Br)cc1 224726369 UHIPKMDWPVZYQC-UHFFFAOYSA-N 370.268 3.673 0 40 FHAB CCCOC1(C(=O)Nc2ccc(OCCOCC)nc2C)CCCCC1 225909698 QVOLTLJPUNMGII-UHFFFAOYSA-N 364.486 3.873 0 40 FHAB Cc1ccccc1-c1noc(CCC(=O)N[C@@H](C)c2ccc(F)cc2)n1 225817223 KNKWGYXBIVYAPR-AWEZNQCLSA-N 353.397 3.994 0 40 FHAB CC(C)NC(=O)c1cc2c(c3ccccc3n2C(C)C)n1C(=O)N(C)C 96146414 YJKKYCUSMCPQQY-UHFFFAOYSA-N 354.454 3.845 0 40 FHAB Fc1ccc(Cc2cnc([C@H]3CCCN(Cc4cnccn4)C3)o2)cc1 257213783 CJBGBNZVPWPIAE-INIZCTEOSA-N 352.413 3.574 0 40 FHAB CC(=O)N1CCC[C@H](Cc2nccnc2-c2cnc(CC(C)C)s2)C1 257236886 HEEOGZYMCIEKPW-OAHLLOKOSA-N 358.511 3.600 0 40 FHAB CC(C)N(C(=O)c1ccc2c(n1)OCCO2)c1ccc(F)cc1Cl 653611809 OFXOMILHBZXGIJ-UHFFFAOYSA-N 350.777 3.701 0 40 FHAB O=C(Nc1ccccc1N=c1cc[nH]cc1)[C@@H]1C[C@]12CCOc1ccccc12 673433869 PRKWLFHHVJLEBT-MBSDFSHPSA-N 371.440 3.926 0 40 FHAB CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)C/C=C/c2ccc(C(C)C)cc2)C1 1775957027 AHQSOPKQZLRPBP-OBNUAKFSSA-N 369.465 3.893 0 40 FHAB O=C1C[C@]2(CCN(C(=O)c3cc(-c4ccccc4)on3)C2)Oc2ccccc21 96098334 JYSJMVQJMHVYNJ-QFIPXVFZSA-N 374.396 3.592 0 40 FHAB O=C(NC1CC2(CCN(C(=O)c3cccc(F)c3)CC2)C1)c1ccsc1 585104411 MLYIRNLTEZGONK-UHFFFAOYSA-N 372.465 3.702 0 40 FHAB Cc1ccc(N2CCC[C@@H](C(=O)N3c4ccc(F)cc4CC[C@H]3C)C2)nn1 585234399 PNDNWQJWBCCUGH-NVXWUHKLSA-N 368.456 3.508 0 40 FHAB CC1(C)C[C@]2(CCCN2C(=O)c2ncccc2O)CN1c1cccc(F)c1 1615117334 BETISLCORISMSJ-OAQYLSRUSA-N 369.440 3.590 0 40 FHAB Clc1ccccc1-n1ncc2c1ncn1nc(CCc3ccccc3)nc21 5244537 PJDZXPVBKYQIMG-UHFFFAOYSA-N 374.835 3.902 0 40 FHAB CCOC(=O)[C@@](CCCO[C@@H]1CCCCO1)(C(=O)CC)c1ccccc1 5395477 ATTJIMONXCEURB-TZIWHRDSSA-N 362.466 3.790 0 40 FHAB COc1ccccc1C(=O)Nc1ccc2nn(-c3ccc(C)cc3)nc2c1 5546521 PJFUZMDVSWEBFQ-UHFFFAOYSA-N 358.401 3.990 0 40 FHAB CCOc1cc(CCC(=O)Nc2nc3cc(Cl)ccc3s2)on1 12196549 DFGJNXNKDMDCLG-UHFFFAOYSA-N 351.815 3.908 0 40 FHAB Cc1cc(CN2CCC(O)(Cn3ccc4ncccc43)CC2)c(C)s1 12222964 CJQOANXUYJNYMZ-UHFFFAOYSA-N 355.507 3.742 0 40 FHAB O[C@H](CN1CCC(O)(c2ccccc2F)CC1)c1ccc2c(c1)CCCC2 12292609 VVDQKUXSOXMJEU-JOCHJYFZSA-N 369.480 3.722 0 40 FHAB Cc1ccc(C)c(OC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c1C 15960426 YNVQLQLKWNIOSF-LJQANCHMSA-N 351.446 3.608 0 40 FHAB COc1cc(CNC(=S)Nc2ccccc2Cl)cc(OC)c1OC 18165655 OAATWQRJCFPFTF-UHFFFAOYSA-N 366.870 3.852 0 40 FHAB CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C(=O)C1CCC1 19017450 ZWHTUEICERAJPB-HBMCJLEFSA-N 372.484 3.711 0 40 FHAB Clc1cccc(CN2C[C@@H]3CCC[C@H](C2)C3N2CCOCC2)c1Cl 19292603 YKGLZZKVLQIVQY-MCPYQZEQSA-N 369.336 3.926 0 40 FHAB CC(C)c1nccn1CC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C 19454414 HCPOVLATIYURIR-HXUWFJFHSA-N 371.481 3.681 0 40 FHAB C[C@H]1CN(C(=O)CSc2nc3cc(Cl)ccc3s2)C[C@H](C)O1 3265434 DCGNDIXWDZIWKX-UWVGGRQHSA-N 356.900 3.678 0 40 FHAB COCCn1c(SCC(=O)Nc2cccc(Cl)c2)nc(C)c1C 32893910 UTBDZAGQKAJVFX-UHFFFAOYSA-N 353.875 3.531 0 40 FHAB CCOCCCNC(=S)NCc1cccc(COCc2ccccc2)c1 36847839 HVBYPTXNXLHDFY-UHFFFAOYSA-N 372.534 3.794 0 40 FHAB COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccccc1Cl 85412975 XCMBAKBQAUEWGW-RHSMWYFYSA-N 356.761 3.512 0 40 FHAB C[C@@H]1NC(=O)N[C@H]1CCCCCC(=O)Nc1ccc2c3c(cccc13)CC2 4687139 RWTRESXQFYFWTI-KSSFIOAISA-N 365.477 3.897 0 40 FHAB CC(C)C(=O)N1CCCc2ccc(NC(=O)COc3ccccc3)cc21 5136326 BMPSRUWNUCLNAY-UHFFFAOYSA-N 352.434 3.639 0 40 FHAB O=C(NC[C@H]1CN(c2ccc(F)cc2)C(=O)O1)Nc1cccc(Cl)c1 8839307 FTGPWUYEFPANJD-HNNXBMFYSA-N 363.776 3.626 0 40 FHAB COc1ccc2nc(-c3ccc(NC(=O)c4cccs4)cc3)cn2n1 11693484 FUXXFMLPEAYXEH-UHFFFAOYSA-N 350.403 3.719 0 40 FHAB O=S(=O)(c1ccccc1Cl)N1CCn2cccc2[C@@H]1c1ccccc1 12361339 ZQBAMYZHBCDZLC-IBGZPJMESA-N 372.877 3.935 0 40 FHAB Cc1ccc(CN2CCC(Nc3ccccc3)(C(=O)N3CCC3)CC2)cc1 2055751196 SYDNCDZOUBWKRE-UHFFFAOYSA-N 363.505 3.674 0 40 FHAB Cc1ccc2cccc(C(=O)NC[C@H]3CCCN(c4nccs4)C3)c2n1 206833621 HYRJDEAWAGBLTF-OAHLLOKOSA-N 366.490 3.646 0 40 FHAB O=C(NC[C@H]1CCCN(c2nccs2)C1)c1cccc2ccccc12 206835032 KVAFNKQNOBWIOQ-OAHLLOKOSA-N 351.475 3.943 0 40 FHAB O=C(NCc1ccc(Cl)cc1)N1CC[C@H](c2ccc3c(c2)CCO3)C1 618256845 XVOBMWQTTOHGHG-KRWDZBQOSA-N 356.853 3.974 0 40 FHAB O=C(O)c1cccc(OCCCSc2nnc(-c3ccccc3)o2)c1 8731649 WAAGXANUPLVOJA-UHFFFAOYSA-N 356.403 3.996 0 40 FHAB C[C@H](Nc1ccc2c(c1)OC(F)(F)O2)C(=O)Nc1ccc(F)cc1F 30005917 VIBGCLGJCRALNJ-QMMMGPOBSA-N 356.275 3.725 0 40 FHAB COc1ccc(NS(=O)(=O)c2ccc(F)cc2F)c(C(F)(F)F)c1 40155175 SLYHKTUULMPPAG-UHFFFAOYSA-N 367.295 3.793 0 40 FHAB O=C(CS[C@H]1CCc2ccccc2N=C1O)Nc1ccc2c(c1)OCO2 11865831 BHVNZJZBPMTXKZ-KRWDZBQOSA-N 370.430 3.690 0 40 FHAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2O)o1 852454 XGMGKKOSSDVZEW-GFCCVEGCSA-N 355.419 3.870 0 40 FHAB CCOC(=O)c1cc2sccc2n1CC(=O)Nc1ccc(N(C)C)cc1 1338058 YKMXSIJPTAKSKD-UHFFFAOYSA-N 371.462 3.584 0 40 FHAB CC(=O)c1cccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(F)cc2)c1 1343542 SDHKWLLJPFTAMO-GOSISDBHSA-N 369.396 3.663 0 40 FHAB Cc1ccc(S(=O)(=O)CNC(=O)Nc2cccc3ccccc23)cc1 1410288 MFWIPFRTHHPRLG-UHFFFAOYSA-N 354.431 3.701 0 40 FHAB CN(C)c1ccc(C(=O)Nc2cccc(I)c2)cc1 2629449 SWFVZKKOQKPKDZ-UHFFFAOYSA-N 366.202 3.610 0 40 FHAB COc1ccc([C@H]2CCCCCN2C(=O)c2csc(NC(C)=O)n2)cc1 32821644 ZOUKDCRYVZWPNP-QGZVFWFLSA-N 373.478 3.868 0 40 FHAB CC[C@@H](C(=O)NCCc1cc2ccc(C)c(C)c2[nH]c1=O)c1ccccc1 3911894 YOUNCGYQRVPRAW-HXUWFJFHSA-N 362.473 3.997 0 40 FHAB O=C1CN(C(=O)COc2ccc(Cl)c3ccccc23)c2ccccc2N1 6642945 VKAJACQSZXBZHO-UHFFFAOYSA-N 366.804 3.857 0 40 FHAB CCCCNS(=O)(=O)c1ccc2c(c1)nc(CCC)n2CCCC 6650867 AWBKTVDHMQIZDE-UHFFFAOYSA-N 351.516 3.867 0 40 FHAB CCc1sc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc1C 32930476 MXLNZVZWKGPASU-HUUCEWRRSA-N 373.522 3.558 0 40 FHAB Cc1cccc(OCCNC(=O)CCCc2nnc(-c3ccccc3)o2)c1 32924193 KTAXOWDYLIEXFM-UHFFFAOYSA-N 365.433 3.563 0 40 FHAB CCCOc1c(Cl)cc(C(=O)O[C@@H](C)C(=O)NC(C)C)cc1OCC 12091265 IPNDJLFJKCPXDJ-LBPRGKRZSA-N 371.861 3.597 0 40 FHAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)C[C@H]2Sc3ccccc3NC2=O)o1 53642997 XGWNNLZDOQYTCX-XAYKYTGQSA-N 370.474 3.865 0 40 FHAB CC1=C(C(=O)OCCC(C)C)[C@H](c2ccc(Cl)cc2)NC(=O)N1C 727712 XRAXAKYQMLCXRV-INIZCTEOSA-N 350.846 3.899 0 40 FHAB Cn1c(CNC(=O)Cc2csc(-c3ccccc3)n2)nc2ccccc21 9645594 BZVNQUWMVWZXAL-UHFFFAOYSA-N 362.458 3.556 0 40 FHAB Cc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)c(C)c1 23009298 FBUOPFFBFHZXBW-UHFFFAOYSA-N 351.450 3.645 0 40 FHAB Cc1ccc(-c2noc([C@@H](C)OC(=O)c3ccc(N(C)C)nc3)n2)cc1F 47789407 BXQSSYSCBSQWBO-GFCCVEGCSA-N 370.384 3.563 0 40 FHAB FC(F)(F)c1nnc2c3ccccc3c(-n3cnc4ccccc43)nn12 1446110 NPFPKZPFVOVPCX-UHFFFAOYSA-N 354.295 3.635 0 40 FHAB Cc1cccc(C)c1NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 57364051 KGXQJLUFAVSPFJ-UHFFFAOYSA-N 357.885 3.718 0 40 FHAB Cc1ccc(-c2noc(-c3cccn3CC(=O)N3CCCC[C@@H]3C)n2)cc1 57486847 IGPIDOZNVJNBOW-INIZCTEOSA-N 364.449 3.915 0 40 FHAB CCCOc1ccccc1NC(=O)CN1C(=O)CSc2ccccc21 57741118 YGEFPBFHRJWSHN-UHFFFAOYSA-N 356.447 3.553 0 40 FHAB CN(CC(=O)OC(C)(C)C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 60344503 XZIXQPAWIIEXDP-UHFFFAOYSA-N 366.870 3.877 0 40 FHAB Cc1cc(=O)oc2cc(OCC(=O)Nc3cccc4c3ccn4C)ccc12 62001456 PPMUNEOZLSKKPT-UHFFFAOYSA-N 362.385 3.611 0 40 FHAB biogenic CCn1c(SCc2cccc(C(=O)N(C)C)c2)nnc1-c1ccco1 58216461 PHMBVQQVYAAPOT-UHFFFAOYSA-N 356.451 3.552 0 40 FHAB O=C(COc1ccccc1Cl)N1CCC(CCN2CCCCC2)CC1 27994760 ZLVREGGOESNUIV-UHFFFAOYSA-N 364.917 3.833 0 40 FHAB Cc1nnc2ccc(C(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)cn12 58427008 JTKDXVRULXACMQ-SFHVURJKSA-N 366.421 3.758 0 40 FHAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)NCc2ccc(F)c(C)c2)cc1 10552303 DDWWVZVOUPYPRW-UHFFFAOYSA-N 370.453 3.680 0 40 FHAB CCCn1c(NC(=O)c2ccc(OC)c(OC)c2OC)nc2ccccc21 10652699 KFBSQEMFRCBDSK-UHFFFAOYSA-N 369.421 3.724 0 40 FHAB CC(C)n1cc2c(c1-c1ccc(C(C)(C)C)cc1)c(=O)n(C)c(=O)n2C 2404126 ATNLMSMCUOUOTC-UHFFFAOYSA-N 353.466 3.584 0 40 FHAB COc1ccc(-c2nc3c4cnn(-c5ccc(C)c(C)c5)c4ncn3n2)cc1 2411694 YNQBKUWGCBUVFD-UHFFFAOYSA-N 370.416 3.756 0 40 FHAB CCSc1nc(NCCOC)c2c3c(sc2n1)COC(C)(C)C3 2419718 IVBXVDXXFKOPSQ-UHFFFAOYSA-N 353.513 3.713 0 40 FHAB Cc1ccccc1COC(=O)C1(NC(=O)NCc2ccccc2)CCCC1 11305476 QMYZRZAPAGXLLR-UHFFFAOYSA-N 366.461 3.850 0 40 FHAB O=C(NCc1cccnc1OCc1ccccc1)c1cc(-c2ccco2)[nH]n1 48290732 QTIYADPLJGPMLA-UHFFFAOYSA-N 374.400 3.574 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCCN1C(=O)c1cccs1 24540503 BFEFVONFFUSUCH-FUHWJXTLSA-N 370.518 3.880 0 40 FHAB Cc1ccccc1Nc1nnc(SCC(=O)c2ccc(O)cc2O)s1 3533141 OIKKCUWHALPPBG-UHFFFAOYSA-N 373.459 3.976 0 40 FHAB CC(C)(C)c1cc(NC(=O)CSc2nc(-c3cccs3)n[nH]2)on1 12940505 JQPZKIMFFUSOMB-UHFFFAOYSA-N 363.468 3.550 0 40 FHAB O=C([C@H]1CCOc2ccccc21)N1CCC(OCc2ccc(F)cc2)CC1 92074758 ODHMDSSJZXZXQH-FQEVSTJZSA-N 369.436 3.900 0 40 FHAB CC(=O)N1CCCCC[C@H]1C1CCN(c2cnc3ccccc3n2)CC1 69810812 XOTCPYAHRYCRJA-FQEVSTJZSA-N 352.482 3.637 0 40 FHAB Cc1cc(O[C@H](C(=O)O)c2ccccc2)c2c3c(c(=O)oc2c1)CCC3 4029857 IFNNROYPOKHTJN-IBGZPJMESA-N 350.370 3.795 0 40 FHAB biogenic Cn1ccnc1[C@@H](NC(=O)/C=C/c1c(F)cccc1F)c1cccc(F)c1 49617658 DAXDMSVEDFKDQN-SGQUHAKNSA-N 371.362 3.756 0 40 FHAB COc1cccc([C@@H](Nc2ncnc3ccsc23)c2nccn2C)c1 8706462 WJNUNUDWIHCUSP-OAHLLOKOSA-N 351.435 3.635 0 40 FHAB O=S(=O)(NCCSCc1cccc(Cl)c1)c1ccc(F)cc1 6220624 NKIHOXIEZGGRGB-UHFFFAOYSA-N 359.875 3.691 0 40 FHAB CCc1ccc([C@@H](C)NCC(=O)Nc2cc(NC(C)=O)ccc2OC)cc1 14183760 RGXSHXILSFYWEI-CQSZACIVSA-N 369.465 3.505 0 40 FHAB O=C(c1ccc(-c2ccco2)[nH]c1=O)N(Cc1ccco1)C1CCCC1 65724897 QORJNLNITFVDCM-UHFFFAOYSA-N 352.390 3.813 0 40 FHAB Cc1nn(C)c2ncc(C(=O)OCc3csc(-c4ccccc4)n3)cc12 24148671 YAGPTXRWNPPHEM-UHFFFAOYSA-N 364.430 3.757 0 40 FHAB Cc1nc(COc2ccccc2C(=O)Nc2cccc3cccnc23)no1 14778685 RUOFVVMUKHODQM-UHFFFAOYSA-N 360.373 3.758 0 40 FHAB CN(C)CCSc1nc2cc(Cl)ccc2c(=O)n1C1CCCC1 6882249 GQCAQKDYTFIFTG-UHFFFAOYSA-N 351.903 3.819 0 40 FHAB COc1ccccc1C(=O)COC(=O)c1c(-c2ccccc2)noc1C 15043370 CIQRNMVSAVSALI-UHFFFAOYSA-N 351.358 3.698 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCCOC1CCCCC1 6989053 RXBKYPLEZMNSLO-UHFFFAOYSA-N 355.482 3.958 0 40 FHAB Cc1ccc2nc(SCC(=O)N[C@H](C)c3ccc4c(c3)OCO4)[nH]c2c1 6908880 VBZVTIIJFBNNKH-GFCCVEGCSA-N 369.446 3.570 0 40 FHAB COc1ccc(C(=O)Nc2ccc3nc(-c4ccncc4)[nH]c3c2)cc1OC 71279991 TVJMRHWDNIYSCD-UHFFFAOYSA-N 374.400 3.894 0 40 FHAB CC(=O)Nc1cccc(-c2nnc(SCc3cccc(C(=O)O)c3)o2)c1 7605196 FFLGFLFWFKOYAV-UHFFFAOYSA-N 369.402 3.686 0 40 FHAB CN(C)C[C@H](NC(=O)/C=C/c1ccccc1Br)c1ccccc1 7817894 KHESUSIHAZUBKU-HHNLSAEISA-N 373.294 3.881 0 40 FHAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(-n2cncn2)cc1 7814945 MQUDFHNIXOZLAS-UHFFFAOYSA-N 362.389 3.561 0 40 FHAB CC(=O)c1ccccc1NCC(=O)Nc1ccc(Br)cc1F 7976237 GXCWQOWUONPXAB-UHFFFAOYSA-N 365.202 3.841 0 40 FHAB COc1ccc(-c2noc(CCC(=O)NC3CCCCCC3)n2)cc1OC 7955035 INONLWBGZIJUQP-UHFFFAOYSA-N 373.453 3.525 0 40 FHAB CCOC(=O)c1sc(NC(=O)CC2(C(=O)O)CCCCC2)cc1C 16481899 VJFLYDHSMBYBRB-UHFFFAOYSA-N 353.440 3.597 0 40 FHAB COc1ccc(NC(=O)c2ccc(F)cc2Br)c(OC)c1 8061228 BUYUDMJKKCOQQA-UHFFFAOYSA-N 354.175 3.858 0 40 FHAB COc1cc(OC)c(CN[C@@H](C)c2cc(OC)ccc2OC)c(OC)c1 8268259 FYEGAWDEURNYTC-ZDUSSCGKSA-N 361.438 3.580 0 40 FHAB CC(C)Cn1cc[nH]/c1=N\C(=O)c1cccc(NC(=O)C2CCCCC2)c1 70012888 ZQSPQVZKIOXUBP-UHFFFAOYSA-N 368.481 3.732 0 40 FHAB O=S(=O)(Nc1cc(-c2ccc(Cl)cc2)[nH]n1)c1ccc(F)cc1 408713081 JNQAJYHWZOJVDE-UHFFFAOYSA-N 351.790 3.670 0 40 FHAB O=C(OCc1ccc(S(=O)(=O)C(F)F)cc1)c1cc2ccccc2[nH]1 9607618 SMAHAZUUHKJFAW-UHFFFAOYSA-N 365.357 3.521 0 40 FHAB CCOC(=O)N1CCC(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)CC1 9762252 FUHGIAMWESBERA-HILYYZTDSA-N 362.514 3.576 0 40 FHAB COc1ccc(-c2[nH]ncc2C(=O)N[C@H]2CCc3ccccc32)cc1OC 72329296 DCBDXZWXGHFABT-KRWDZBQOSA-N 363.417 3.511 0 40 FHAB Cc1cc(F)ccc1NC(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C1CC1 79105244 OSGSBMKGFHNNDO-IBGZPJMESA-N 365.449 3.949 0 40 FHAB COC(=O)CCN(CC(C)C)c1nc(-c2cccnc2)nc2ccccc12 84544214 IWFBMSSNMUEUCG-UHFFFAOYSA-N 364.449 3.717 0 40 FHAB Cc1nn(C)c(C)c1[C@@H]1SCC(O)=Nc2ncn(-c3cccc(F)c3)c21 95479216 BIIAKWTUZICJCB-KRWDZBQOSA-N 371.441 3.786 0 40 FHAB CC[C@@H](C)Oc1cccc(NC(=O)NCC2(C(=O)N(C)C)CCCC2)c1 95959318 YSMLKQSDCJBMFG-OAHLLOKOSA-N 361.486 3.634 0 40 FHAB O=C(Cc1noc(Cc2cccc(Br)c2)n1)Nc1ccccc1 95955936 PUXIJNRHVFLFAL-UHFFFAOYSA-N 372.222 3.604 0 40 FHAB O=C(/C=C/c1ccc2c(c1)OCCO2)N1CCc2[nH]c3ccccc3c2C1 9901350 PUFGJWDTIKBURC-SOFGYWHQSA-N 360.413 3.537 0 40 FHAB COc1ccccc1[C@@H](Nc1nnc(C)c2ccccc12)c1nccn1C 24586217 INDVWEDNYPEXON-LJQANCHMSA-N 359.433 3.882 0 40 FHAB COc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 20050849 HRQOBKNSHPAWFK-KADHNRKRSA-N 371.433 3.612 0 40 FHAB CC(C)NC(=O)[C@@H]1CCCN(c2ccc(-c3ccc(Cl)cc3)nn2)C1 23142805 ZDYQRAHPIKEUBD-OAHLLOKOSA-N 358.873 3.538 0 40 FHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCCC[C@H]1Cc1ccccc1 522238654 ZSPJDBRYRLXFBI-SFHVURJKSA-N 371.502 3.636 0 40 FHAB COc1ccc(-c2c[n+](-c3ccc(OC)cc3)c3n2CCCS3)cc1 32611747 QSZHBENDJWJLOP-UHFFFAOYSA-N 353.467 3.945 0 40 FHAB Cc1cc(=O)c(OCC(=O)Nc2cccc3c2ccn3CC(C)C)co1 72400911 RWJISQCWEHXATR-UHFFFAOYSA-N 354.406 3.576 0 40 FHAB CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)/C=C\c1ccccc1 71980503 ILKBJUMPNXIDHL-IHICFZRZSA-N 371.477 3.944 0 40 FHAB Cc1nn(-c2ccccn2)c2c1[C@H](c1cccc(O)c1)SCC(O)=N2 44921722 BCIINBQUODJJNZ-KRWDZBQOSA-N 352.419 3.706 0 40 FHAB CCOc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1O 222576685 OIWNYCZLOPZXEH-IGNZVWTISA-N 355.463 3.775 0 40 FHAB Cc1cccc(NC(=S)NC2CCN(Cc3ccccn3)CC2)c1C 44222097 BLZHGJHSFWXVRN-UHFFFAOYSA-N 354.523 3.649 0 40 FHAB CCOc1cccc(CNC(=O)COc2ccc(Br)cc2)c1 48373762 QHXRSVRGKFXVRJ-UHFFFAOYSA-N 364.239 3.543 0 40 FHAB O=C(Cc1cccc(F)c1)NCc1cccc(COCc2ccco2)c1 40089379 VIPKFZXVDSJHAI-UHFFFAOYSA-N 353.393 3.994 0 40 FHAB COc1ccc(NC(=O)c2cnc(Cc3ccccc3)nc2C)cc1OC 225794283 MRLOPWJYWJBSLF-UHFFFAOYSA-N 363.417 3.645 0 40 FHAB COc1ccc(-c2noc(CCc3nc(-c4cccs4)no3)n2)cc1 41097895 JOLJSOTVBIMJGB-UHFFFAOYSA-N 354.391 3.642 0 40 FHAB Cc1cccc(CSCC(=O)N2CCN(c3ccccc3F)CC2)c1 44817606 INZJYQIYLVJZQE-UHFFFAOYSA-N 358.482 3.716 0 40 FHAB Cc1cnc(CCN(C)C(=O)c2ccc(O[C@@H]3CC3(F)F)cc2)s1 528897585 TYLFBOODTSISRK-CQSZACIVSA-N 352.406 3.553 0 40 FHAB Cc1ccc(CS(=O)(=O)c2n[nH]c(-c3ccccc3Cl)n2)c(C)c1 95116154 WXRSTVSZXKGZHE-UHFFFAOYSA-N 361.854 3.716 0 40 FHAB Cc1ccc(CN2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@H]32)s1 248106121 PFSNEYAEYKKSAY-YXJHDRRASA-N 364.536 3.709 0 40 FHAB COC(=O)c1ccc(F)c(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)c1 42712986 VFLFZPYIENOGDG-UHFFFAOYSA-N 359.401 3.694 0 40 FHAB O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccc(F)cc3)N2Cc2ccncc2)N1 257295568 QYWUZJMMODGPNU-AABGKKOBSA-N 353.441 3.595 0 40 FHAB Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2c[nH]c3ncccc23)C1 588119049 ZJEIFHRHOVHMME-CQSZACIVSA-N 368.868 3.781 0 40 FHAB O=C1CN=C(c2ccccc2)c2cc(-c3cnn(C(F)F)c3)ccc2N1 1238866693 CGJXYJYELPDOIP-UHFFFAOYSA-N 352.344 3.735 0 40 FHAB CO[C@](C)(CNS(=O)(=O)c1cc(Cl)ccc1C)c1ccccc1F 96123586 QKTHRPFKHKMZIT-QGZVFWFLSA-N 371.861 3.628 0 40 FHAB COc1cc(C)c(NC(=O)NCCO[C@H]2CCCC[C@@H]2C)cc1OC 45974824 XXTLETFSGYKPIW-BBRMVZONSA-N 350.459 3.729 0 40 FHAB O=C(N[C@H](Cc1ccccc1Cl)c1ccccc1)N1CCC[C@H](O)C1 68886771 YMPXRBFFGUSORX-PKOBYXMFSA-N 358.869 3.790 0 40 FHAB CCOc1cc2c(cc1CN1[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]31)O[C@H](C)C2 1615052165 KRVYUIGLBCFLLU-BODMPHMZSA-N 359.466 3.626 0 40 FHAB COCc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 5254568 RYFCCRITHSBQIE-INIZCTEOSA-N 355.434 3.942 0 40 FHAB CSc1nc2ccccc2n1CC(=O)N[C@H]1CCCc2ccccc21 5186740 XEDGANZGPZOPPQ-INIZCTEOSA-N 351.475 3.952 0 40 FHAB Cc1cc2c(=O)n(C)c(SCC(=O)c3ccc(Cl)cc3)nc2s1 5001014 DEQPOKFYLBQRMK-UHFFFAOYSA-N 364.879 3.932 0 40 FHAB O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1ccccc1F 11895652 HSKTWNTZNMLFFG-JYRVWZFOSA-N 362.407 3.562 0 40 FHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(Cl)cc1F 14319646 KEJVHIFYIREJTO-UHFFFAOYSA-N 357.816 3.996 0 40 FHAB CC(=O)c1ccc(OCC(=O)N(C)CC23CC4CC(CC(C4)C2)C3)cc1 14321673 KEUIHDXVATVOAC-UHFFFAOYSA-N 355.478 3.943 0 40 FHAB CCCCc1cc(C[C@H]2CNCC[C@H]2CC(=O)NC2CCCCC2)no1 15673347 ZJLRQPKLFFRSGS-IRXDYDNUSA-N 361.530 3.624 0 40 FHAB biogenic,in-vitro CCn1c(C(C)C)nc2cc(NC(=O)c3cc(C(C)C)[nH]c(=O)n3)ccc21 19524254 YGBVVQGEBDPJOT-UHFFFAOYSA-N 367.453 3.639 0 40 FHAB COc1ccccc1/C=C/C(=O)NCc1ccccc1CN1CCCC1 8011731 PIPYTUDUQYFJRN-OUKQBFOZSA-N 350.462 3.621 0 40 FHAB Cc1nc(C[C@@H]2CCCN(C(=O)N[C@@H](C)c3ccc(C)c(F)c3)C2)no1 156775728 IMXFQCQIJMZZCT-ZFWWWQNUSA-N 360.433 3.551 0 40 FHAB Cn1ncc(C2CCC2)c1C(=O)N1CCN(C2CC2)c2cc(Cl)ccc21 622847789 FLAPOBUXWRIKMC-UHFFFAOYSA-N 370.884 3.970 0 40 FHAB COc1ccc([C@@H](C)NC(=O)c2cc(=O)c3ccc(Cl)cc3o2)cc1 1526298691 XJLPIVDIQNPYGM-LLVKDONJSA-N 357.793 3.946 0 40 FHAB O=C(CSc1nnc(-c2ccccc2F)o1)N1CCc2ccccc21 780979 BZBQZCZKATXAJK-UHFFFAOYSA-N 355.394 3.557 0 40 FHAB COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)C1CCCCC1 4033121 JQICRQBNYZMPNT-UHFFFAOYSA-N 350.422 3.924 0 40 FHAB COc1ccc(N2C[C@H](NC(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1 4373571 XDSQSIVRDYGYOI-CQSZACIVSA-N 373.840 3.584 0 40 FHAB Cc1cc(C(=O)N(Cc2cccnc2)c2nc3ccc(F)cc3s2)no1 9206566 WRTMWAHDRAOJLZ-UHFFFAOYSA-N 368.393 3.974 0 40 FHAB COc1ccccc1-c1cc(C(=O)Nc2cccc(OC(F)F)c2)n[nH]1 38488980 MKSWSBBDDICSND-UHFFFAOYSA-N 359.332 3.939 0 40 FHAB CNC(=O)CSc1ncc(-c2ccc(C)cc2)n1-c1ccc(F)cc1 44087099 RRVCLNUCXUQQHM-UHFFFAOYSA-N 355.438 3.825 0 40 FHAB CCOC(=O)Cc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 1440036 TZJUPRVWLGBOET-UHFFFAOYSA-N 353.752 3.976 0 40 FHAB Cc1cc(NC(=O)COc2cc3sc(C)nc3c3sccc23)n(C)n1 40023355 BDZZCTJNJYTMCE-UHFFFAOYSA-N 372.475 3.879 0 40 FHAB Cc1nc2ccccc2c(C)c1CC(=O)NCCCN1CCc2ccccc21 29523440 JEVDNTLAWPFZNT-UHFFFAOYSA-N 373.500 3.963 0 40 FHAB COc1ccc(C(C)=O)cc1COC(=O)c1cccc(C)c1NC(C)=O 11811752 VQDIZNTXXVTNSH-UHFFFAOYSA-N 355.390 3.522 0 40 FHAB Cc1ccc(CCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 11990512 ARNPXZLRHFJVLI-CYBMUJFWSA-N 356.491 3.852 0 40 FHAB Cn1c(C(=O)Nc2cccnc2N2CCSCC2)cc(Cl)c1Cl 51988560 JTCLFLNKVWUAJD-UHFFFAOYSA-N 371.293 3.532 0 40 FHAB CCn1c(NC(=O)CCc2nc(-c3ccccc3)no2)nc2ccccc21 21592598 CTFKDSWNXHLUBY-UHFFFAOYSA-N 361.405 3.678 0 40 FHAB Cc1csc(NC(=O)CSc2ncnc3sc4c(c23)CCC4)n1 4215396 OIPGXLUVWMKXOW-UHFFFAOYSA-N 362.505 3.676 0 40 FHAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1ccoc1 32817400 KQZFLSNOVVCMOI-CQSZACIVSA-N 353.205 3.830 0 40 FHAB O=C(COC(=O)c1cc2c(s1)CCCC2)Nc1cc(F)ccc1F 4461339 YAQKOPMEWKNDQX-UHFFFAOYSA-N 351.374 3.701 0 40 FHAB O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc(C(F)(F)F)cc1 4580099 COVBVVPGVZVGRD-UHFFFAOYSA-N 363.291 3.829 0 40 FHAB Cc1ccc(OCC(=O)NCCc2ccc(F)cc2)c(Br)c1 6345931 JZTRYZYELFBJFG-UHFFFAOYSA-N 366.230 3.634 0 40 FHAB CC1(C)CC2=Nc3nonc3N[C@H](c3ccc4nccnc4c3)C2=C(O)C1 102752839 LIAWXFQDQMAVOJ-MRXNPFEDSA-N 362.393 3.884 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C 10473071 MCGFGQDEVKGHMA-UHFFFAOYSA-N 354.450 3.851 0 40 FHAB CCCNC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 8476833 FUTJJIXXLITDSK-UHFFFAOYSA-N 358.804 3.867 0 40 FHAB COc1cc(CNn2cn[nH]c2=S)ccc1OCc1ccc(C)cc1 8550158 DZSHOKMYSKHSSI-UHFFFAOYSA-N 356.451 3.580 0 40 FHAB CCn1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c2ccccc21 663711 HTVCOKVXTNMRHQ-WOJGMQOQSA-N 363.392 3.893 0 40 FHAB O=C1CCc2cc(C(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)ccc2N1 22483429 WODMPZRLOMZTCV-UHFFFAOYSA-N 371.440 3.982 0 40 FHAB O=C(COc1ccccc1-c1nc(-c2ccccc2)no1)Nc1cccnc1 21524623 SQBJRJATKWSNHO-UHFFFAOYSA-N 372.384 3.816 0 40 FHAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1cccc(NS(C)(=O)=O)c1 12536070 WQKLLFRYHFEAFL-ZDUSSCGKSA-N 372.446 3.638 0 40 FHAB COc1cc(Cl)c(C)cc1NCC(=O)NCCOc1cccc(C)c1 24040545 LVKCXRQNUJCXGY-UHFFFAOYSA-N 362.857 3.573 0 40 FHAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1[C@@H](C)c1ccccc1 24193035 NPYNHQVAKLMZLV-ZDUSSCGKSA-N 357.450 3.684 0 40 FHAB COC(=O)c1cccc(C(=O)N(C)[C@H](c2ccccc2)c2ccccn2)c1 55419230 JFQRUQLHYPHYNX-HXUWFJFHSA-N 360.413 3.730 0 40 FHAB CC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 1424250 KZWBNVWZFMRKQQ-HXUWFJFHSA-N 361.445 3.569 0 40 FHAB Cc1onc(-c2ccccc2)c1C(=O)OCc1nc(N)c2ccccc2n1 8720864 BDKVXGBGFKTWEQ-UHFFFAOYSA-N 360.373 3.532 0 40 FHAB CN(C)[C@@H](CNC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccccc1 25421994 XDRQLLLLMFXKOG-NRFANRHFSA-N 364.489 3.557 0 40 FHAB CC1(C)[C@@H]2CC[C@]1(C)c1nc(S[C@@H]3Cc4ccccc4C3=O)nnc12 100476982 XVEIPILUCCXLNH-ARGWCVDVSA-N 351.475 3.946 0 40 FHAB CC(C)Oc1cccc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2ccccn2)c1 100149099 HXWJOPNZFXDJOE-WOJBJXKFSA-N 366.505 3.989 0 40 FHAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)CCC(=O)NC1CC1 26913061 HKLQFHYQMAODCN-INIZCTEOSA-N 365.477 3.600 0 40 FHAB O=C(Nc1ccc2c(c1)CCO2)c1cccnc1SCC(F)(F)F 27126483 WVTLEXSKYLSOAW-UHFFFAOYSA-N 354.353 3.923 0 40 FHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc(Cl)cc2F)c1 3323439 KTZRLXSPBOZBHI-UHFFFAOYSA-N 363.776 3.648 0 40 FHAB CC(=O)N[C@H](CC(=O)N[C@H](C)c1cccc(Cl)c1)c1cccs1 10081433 YBTHMCZNTNBRDT-IAQYHMDHSA-N 350.871 3.846 0 40 FHAB O=C(Nc1cc(-c2ccccc2)n[nH]1)c1ccc(Cn2cc(Cl)cn2)o1 28241229 DEEPDKWGHYWFIB-UHFFFAOYSA-N 367.796 3.820 0 40 FHAB CC[C@@H](C)[C@@H](C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 12752581 IBNGMHMDVQODHB-DNVCBOLYSA-N 374.506 3.705 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(CC3CCCC3)n[nH]2)cc1 8749247 TYAFLXCBBVBJHP-CYBMUJFWSA-N 372.494 3.859 0 40 FHAB O=C(CCc1ccccc1)NC1CCN(Cc2cccc3cccnc23)CC1 48374553 XIVFHMWUSCGNPG-UHFFFAOYSA-N 373.500 3.948 0 40 FHAB CC(C)c1ccc([C@@H](NC(=O)CSc2nnnn2C2CC2)C(C)C)cc1 12883121 JASXQSWDFKLDLC-SFHVURJKSA-N 373.526 3.737 0 40 FHAB O=C1CCC[C@@H]1Sc1nnc(-c2ccncc2)n1-c1ccc(F)cc1 3431339 ZPPDMZMZAOAWAL-INIZCTEOSA-N 354.410 3.682 0 40 FHAB COc1ccc2c(CN(C)CCOc3ccccc3Cl)cc(=O)oc2c1 12911027 RECHETYLHRRDJH-UHFFFAOYSA-N 373.836 3.966 0 40 FHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 113959948 ZKTGXXCDVGFDRW-OAQYLSRUSA-N 367.493 3.543 0 40 FHAB COc1ccc(OC[C@H](O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 4160173 FFMKKPWMANJVTD-GFCCVEGCSA-N 366.339 3.504 0 40 FHAB COc1ccc(C(=O)CSc2nnc(-c3ccccc3OC)o2)cc1 8924312 ZWCNNUISGPKMLB-UHFFFAOYSA-N 356.403 3.729 0 40 FHAB Cc1cc(/C=C/C(=O)N(C)C[C@@H]2COc3ccccc3O2)c(C)n1C1CC1 8940121 SMKBDUBFAUZPNC-UFUQCMIWSA-N 366.461 3.751 0 40 FHAB COCCn1c(C)cc(C(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)c1C 5126971 HLPJUEDSOMABIF-UHFFFAOYSA-N 373.493 3.694 0 40 FHAB CC(=O)N[C@H](C)c1ccc(-c2csc(NC(=O)c3ccccn3)n2)cc1 8984764 DJJVPUSDMHAMHN-GFCCVEGCSA-N 366.446 3.655 0 40 FHAB C[C@@H]1CCc2nc(NC(=O)Cc3csc(-c4ccccn4)n3)sc2C1 14635431 ZXPRJUJVRCWILB-LLVKDONJSA-N 370.503 3.968 0 40 FHAB O=C1N(Cc2ccccc2Cl)c2ccccc2[C@]1(O)Cc1ccncc1 4710692 DUEMGPFRHVBKFM-OAQYLSRUSA-N 364.832 3.712 0 40 FHAB COc1ccc(NC2=NN=C(c3ccc4c(c3)CCO4)CS2)cc1OC 9156110 PCCMSXBFSFCHIG-UHFFFAOYSA-N 369.446 3.558 0 40 FHAB CCCCCn1cnnc1S[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 7134915 OAMJFLJTLYFRJJ-AWEZNQCLSA-N 360.483 3.790 0 40 FHAB Cc1cc(C(=O)COC(=O)CCc2ccco2)c(C)n1-c1nccs1 7291357 BUXUKCSDVQZCTP-UHFFFAOYSA-N 358.419 3.502 0 40 FHAB Cc1nc2ccc(NC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2s1 7808005 HPTYNXQHXXXELN-AWEZNQCLSA-N 361.467 3.943 0 40 FHAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccnn1C1CCCC1 8234079 IFMSRPYHIQCUMX-UHFFFAOYSA-N 369.450 3.779 0 40 FHAB O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)c1cccc(F)c1 19819251 LTAGMWZQRURJIP-UHFFFAOYSA-N 361.376 3.676 0 40 FHAB COCCCNC(=S)N1CCc2sccc2[C@H]1c1cccs1 83902596 RSFNPTOGCGQKEH-HNNXBMFYSA-N 352.550 3.668 0 40 FHAB Cc1ccc2c(CNc3ccccc3C(=O)N(C)C)cc(=O)oc2c1C 84209921 HRZFCSMXIRHEFQ-UHFFFAOYSA-N 350.418 3.724 0 40 FHAB CC(C)N(CCN(C)C)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 95456152 UPZZLHYQACOFHA-UHFFFAOYSA-N 352.910 3.744 0 40 FHAB COC(=O)CCCCCCCNC(=O)[C@@H](C)Oc1ccccc1Cl 79107078 CYYRCBCLFYXMPW-CQSZACIVSA-N 355.862 3.737 0 40 FHAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C 89505698 IOBUOQNPPFOFFO-SNVBAGLBSA-N 368.403 3.864 0 40 FHAB COc1ccccc1C1=N/C(=C/c2ccncc2)C(=O)N1c1ccc(O)cc1 408840163 BQBIZRLXEVGWJT-XMHGGMMESA-N 371.396 3.630 0 40 FHAB CCCC[C@](O)(CCN1CCOCC1)c1ccc(Br)cc1 27346430 AYZMUTWUJSDYQR-KRWDZBQOSA-N 356.304 3.549 0 40 FHAB Cc1cccc(Cn2cc([C@H]3NC[C@@H](C(=O)O)S3)c3ccccc32)c1 408977248 HVMKVADNBUIRBI-OALUTQOASA-N 352.459 3.786 0 40 FHAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)N4CCCCCC4)c3)C(=O)[C@@H]2C1 408679912 HJKHFMQGCCXYMR-RTBURBONSA-N 366.461 3.549 0 40 FHAB COc1ccccc1CN(CCCn1ccnc1)Cc1cccc(C)n1 36740331 QCYJCGWFCNYFPC-UHFFFAOYSA-N 350.466 3.688 0 40 FHAB c1ccc([C@H]2N(Cc3nnnn3C3CCOCC3)CC23CCCCC3)cc1 514586054 DLWAKYMBHUAHKV-HXUWFJFHSA-N 367.497 3.532 0 40 FHAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc(NC(C)=O)c1 408700185 BPSKUYIVFHJQFK-UHFFFAOYSA-N 362.451 3.578 0 40 FHAB COc1ccc(C(C)=O)cc1CN1CCCN(Cc2ccccc2C)CC1 30153808 XHRYZMIPFBWXQB-UHFFFAOYSA-N 366.505 3.914 0 40 FHAB COc1ccc(N[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 36635856 YUXSISZQUMEVJI-ZDUSSCGKSA-N 365.216 3.746 0 40 FHAB COc1ccc(OC)c(NC(=O)C2CCN(Cc3ccccc3C)CC2)c1 39763396 YSNBGSJNGGEYNA-UHFFFAOYSA-N 368.477 3.863 0 40 FHAB Cc1cccc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c1C 222490570 HHYWVOUVKFKXNR-UHFFFAOYSA-N 366.870 3.605 0 40 FHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 40140921 PMMOVELMTPEXFA-ZIAGYGMSSA-N 356.388 3.727 0 40 FHAB CCC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C 224845809 WFQFACXQMYYAII-NRFANRHFSA-N 366.505 3.870 0 40 FHAB CCOc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 224952333 JPVLMEAITKVERU-UHFFFAOYSA-N 355.843 3.572 0 40 FHAB CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224828982 IYBQZCCEUBZAAK-UHFFFAOYSA-N 374.245 3.590 0 40 FHAB CCOc1cc(CNS(=O)(=O)c2ccc3ccccc3c2)ccc1OC 223701589 DUCQXNBMHMTAET-UHFFFAOYSA-N 371.458 3.726 0 40 FHAB COc1ccc(C(=O)Nc2cc(N)ccc2N2CCC(C)CC2)cc1OC 226255261 XAAAMCJCAGDLJE-UHFFFAOYSA-N 369.465 3.775 0 40 FHAB COc1cccc(C)c1NS(=O)(=O)c1cccc(Br)c1 194214620 YJQVUBCWDXLEIR-UHFFFAOYSA-N 356.241 3.567 0 40 FHAB CCCC[C@@]12Oc3c(OC)ccc4c3[C@@]13CCN(C)[C@H](C4)C3=CC=C2OC 96316392 VIVDQLUAHPGFOS-VSDWSMLSSA-N 367.489 3.985 0 40 FHAB biogenic,in-vitro Cc1ccc([C@@H]2[C@@H](C(=O)Nc3c(C)nn(C(C)C)c3C)CC(=O)N2C)cc1 96181247 GKBCQZSXTQUKIF-FXAWDEMLSA-N 368.481 3.547 0 40 FHAB Cc1cc(C)cc([C@@H](O)CNC(=O)c2ccc(F)c(COCC3CC3)c2)c1 585080252 UAPGDDDHHFEYIQ-NRFANRHFSA-N 371.452 3.833 0 40 FHAB O=C(c1cnc2ccccc2c1)N1CCCC[C@@H]1c1ccn2nccc2n1 257235022 GWBDTPGBCOYPSR-LJQANCHMSA-N 357.417 3.645 0 40 FHAB COc1cc(NC(=O)N2C[C@@H](C)OC3(CCCCC3)C2)c(C)c(OC)c1 654064244 OFZWYMYAKAKWEI-CQSZACIVSA-N 362.470 3.968 0 40 FHAB O=C1Cc2ccc(CC(=O)N3CCC[C@]4(CCCc5ccccc54)C3)cc2N1 680148560 DHDUUXOHWLOIMM-XMMPIXPASA-N 374.484 3.620 0 40 FHAB CC[C@@H](C)n1ncc2c(C(=O)N(C)Cc3ccc(C)cn3)cc(C)nc21 682770421 ZEURFKFDEWWYJB-OAHLLOKOSA-N 351.454 3.686 0 40 FHAB CC(C)(C)c1ccc(C[S@@](=O)CC(=O)N2CCc3ccccc32)cc1 58224052 CDKLHPMVZUABDY-VWLOTQADSA-N 355.503 3.822 0 40 FHAB Cc1ccc(OC2CCN(C(=O)C3(c4cccs4)CCCC3)CC2)nn1 96119440 DQAPCCADMPUAHF-UHFFFAOYSA-N 371.506 3.728 0 40 FHAB Fc1cccc(CN2CCC(c3noc(-c4ccccn4)n3)CC2)c1F 12668498 DOYONSILYGHNNT-UHFFFAOYSA-N 356.376 3.789 0 40 FHAB COC[C@H](C)NC(=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 12983655 QFIXUUZNUKXOPI-QCUKBLKESA-N 361.388 3.980 0 40 FHAB CCOc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)Nc3nc(N)nn32)cc1 13131836 QULAYSUMBXLMDD-DLBZAZTESA-N 353.401 3.544 0 40 FHAB CC(=O)NC(=S)Nc1ccc(O)c(-c2nc3cc(C)cc(C)c3o2)c1 14257531 WZVVRCJVGWOEJO-UHFFFAOYSA-N 355.419 3.650 0 40 FHAB Cc1cccc(CCC(=O)Nc2n[nH]c3nc(C)cc(C(F)(F)F)c23)n1 19236096 MLKRYVJZHGNFNG-UHFFFAOYSA-N 363.343 3.560 0 40 FHAB CCC(=O)N1CCC[C@@](Cc2cccc(-c3cccc(F)c3)c2)(C(N)=O)C1 19498629 QBKNMWLXQDTJLM-QFIPXVFZSA-N 368.452 3.539 0 40 FHAB COc1cc2sc(NC(=O)c3ccnn3C(F)F)nc2cc1Cl 19550675 VDGCCJZSPVYWSU-UHFFFAOYSA-N 358.757 3.802 0 40 FHAB Cc1cc(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)nc2ccccc12 19660820 SJAOEWKOXSYYME-UHFFFAOYSA-N 358.401 3.865 0 40 FHAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc(C2CC2)nc2ccccc12 19714684 IGYYYODCXMUZAQ-ZDUSSCGKSA-N 362.477 3.824 0 40 FHAB CC(C)n1cnc2cc(C(=O)NCc3ccccc3-n3ccnc3)ccc21 19455010 DCEFIILKOPRJSC-UHFFFAOYSA-N 359.433 3.733 0 40 FHAB CC(C)(C)OC(=O)N1CC[C@@H](COc2ccc(-c3ccccc3)nn2)C1 1888926479 YLVFHVASTUVPGA-OAHLLOKOSA-N 355.438 3.779 0 40 FHAB FC(F)(F)c1ccc(CN2CCC(COc3cnccn3)CC2)cc1 1889130420 FJUDOBRBEUHIOG-UHFFFAOYSA-N 351.372 3.786 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)OCc1nc(-c2ccc(Cl)cc2)no1 23054876 SXBPTAKOPDSIHN-LBPRGKRZSA-N 358.781 3.901 0 40 FHAB Cc1ccc(-c2cc(C(=O)NCc3ccccc3Cn3ccnc3)[nH]n2)cc1 32904451 CYMVKUDLYKQUMU-UHFFFAOYSA-N 371.444 3.560 0 40 FHAB O=C1COC[C@]2(CCN(Cc3ccccc3Cl)C2)CN1c1ccccc1 2037984322 XNGGSJOGPBKION-NRFANRHFSA-N 370.880 3.596 0 40 FHAB Cc1n[nH]c2c1[C@@H](c1ccccn1)N(c1ccc(Br)cc1)C2=O 4040465 RIEHVCXMIBPWKU-MRXNPFEDSA-N 369.222 3.625 0 40 FHAB COc1ccccc1NC(=O)NC[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 9040180 FXYQLOBNVDQJMM-ZDUSSCGKSA-N 373.840 3.523 0 40 FHAB COC(=O)c1ccc(NC(=O)CSc2nccn2C2CCCCC2)cc1 15825380 XWPNCMFWIFRZCN-UHFFFAOYSA-N 373.478 3.906 0 40 FHAB Cc1ncc(CO)c2cc(C(N)=S)/c(=N/c3ccc(C(C)C)cc3)oc12 20132055 BRODBIWYIRPZQV-ATJXCDBQSA-N 367.474 3.619 0 40 FHAB CN(C)[C@@H](CNC(=O)c1ccc(Br)cc1)c1ccc(F)cc1 10329629 RZLGQNXUSRXMTJ-INIZCTEOSA-N 365.246 3.621 0 40 FHAB O=C(O)c1ccc(Cl)c(S(=O)(=O)Oc2ccc3ccccc3c2)c1 13342196 ADASPGDDDISMMG-UHFFFAOYSA-N 362.790 3.959 0 40 FHAB O=C(CSc1nc2ccccc2o1)Nc1ccc(C(F)(F)F)cn1 215713227 ZFVLFBXBFDBZCX-UHFFFAOYSA-N 353.325 3.972 0 40 FHAB Cc1cc([C@@H](C)NC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)c(C)s1 40074245 RWFBGZYIKOVVCX-FOIQADDNSA-N 372.534 3.926 0 40 FHAB O=C(Cc1ccc(-n2cccn2)cc1)Nc1cccc(Oc2cnccn2)c1 40108745 QTXNPKSEOZXYFQ-UHFFFAOYSA-N 371.400 3.636 0 40 FHAB C[C@H]1CCC[C@H](N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)C1 20569784 UNBUUESLNYKJKW-RXVVDRJESA-N 366.505 3.942 0 40 FHAB COc1ccc2c(c1)cc(C[P@](=O)(O)CCc1ccccc1)c(=O)n2C 20724042 FALCVCHTELPYED-UHFFFAOYSA-N 371.373 3.560 0 40 FHAB O=C(CC(c1ccccc1)c1ccccc1)NCc1nnc2ccccn12 8155995 VMVHKQVFMQGPBD-UHFFFAOYSA-N 356.429 3.568 0 40 FHAB O=C1N[C@@]2(CCS1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 1472424 OEAITSXEKASUBS-QFBILLFUSA-N 351.431 3.730 0 40 FHAB CC(C)C[C@@H](NC(=O)CCc1cccc(Cl)c1Cl)C(=O)N(C)C 41171386 RAGNRLHNUXKXEG-CQSZACIVSA-N 359.297 3.545 0 40 FHAB CCSc1ncc(Br)c(C(=O)Nc2ccccc2F)n1 11916321 ZPWGLVVKVDYQQQ-UHFFFAOYSA-N 356.220 3.743 0 40 FHAB Cc1cccc(C)c1OCC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 4848662 DQDRLENPKYCOTA-UHFFFAOYSA-N 358.463 3.933 0 40 FHAB COCCn1c(SCC(=O)c2ccc(C)c(C)c2)nnc1-c1ccco1 4882208 HBVANDGVNJRWPQ-UHFFFAOYSA-N 371.462 3.776 0 40 FHAB Cc1cc(OCC(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)ccc1Cl 7082612 SURPSXIHLAOMPX-IBGZPJMESA-N 373.836 3.590 0 40 FHAB O=C(Nc1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 7505022 FQMZHEGFGBTTTG-UHFFFAOYSA-N 361.239 3.538 0 40 FHAB CCCc1nnc(SCC(=O)c2ccc(Br)cc2)n1CC 7610208 MUSDMEQQYPIQEO-UHFFFAOYSA-N 368.300 3.988 0 40 FHAB O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@@]12CCN(C[C@H]1CC=CCC1)C2 108533951 JSRXKNRKPKDAGD-IEZWGBDMSA-N 352.469 3.749 0 40 FHAB O=c1cc(-c2cccc3ccccc23)[nH]c2[nH]n(-c3ccc(F)cc3)c(=O)c12 8021158 KXGNIMZDXRTSOZ-UHFFFAOYSA-N 371.371 3.966 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)CSc1nc2sccc2c(=O)[nH]1 8456453 BCIGLIPIBRNLSN-UHFFFAOYSA-N 365.867 3.677 0 40 FHAB CS(=O)(=O)N(CCCC(=O)Nc1ccccc1)c1cccc(Cl)c1 8498113 XYGAWMDBOVRGBT-UHFFFAOYSA-N 366.870 3.525 0 40 FHAB O=C(COc1ccc(C2SCCCS2)cc1)Nc1ncccc1O 22264227 MLWPHHKMZOZLBB-UHFFFAOYSA-N 362.476 3.673 0 40 FHAB C[C@@H](NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101616257 BBSVCYAZNREFTL-OXHZDVMGSA-N 355.404 3.720 0 40 FHAB CCC(CC)[C@@H](CNC(=O)c1ccc2ccccc2c1)N1CCOCC1 22755259 GCWWVTBKVKEONY-OAQYLSRUSA-N 354.494 3.707 0 40 FHAB CCCNC(=O)COC(=O)c1cccnc1Sc1cc(C)ccc1C 22835041 ZQHHDBGNUUUDRH-UHFFFAOYSA-N 358.463 3.533 0 40 FHAB Cn1cccc1[C@H]1CCCN1CC(=O)Nc1ccccc1C(F)(F)F 9690461 LTZAPTALPBUTDO-MRXNPFEDSA-N 351.372 3.820 0 40 FHAB Cc1cc(O)cc2c1[C@H](c1ccccc1)C[C@@]1(CC(C)(C)NC(=S)N1)O2 1441336 IPBDAKITJGHCCH-KKSFZXQISA-N 368.502 3.958 0 40 FHAB COc1cccc(CNC(=O)C2(c3ccc(Br)cc3)CC2)c1 25269497 IKTIAGQDAHFRCZ-UHFFFAOYSA-N 360.251 3.806 0 40 FHAB O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC(Oc2ccccc2)CC1 55975370 AJBXPYKQHWXIFP-UHFFFAOYSA-N 365.408 3.899 0 40 FHAB CC(C)n1ncc2cc(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)cnc21 12578905 LGFBBGZPFBESRH-GOSISDBHSA-N 374.448 3.866 0 40 FHAB COc1ccc(-n2ccc(CNC(=O)N(C)C3CCC(C)CC3)n2)cc1 56821547 HHNVFSCYPFFWQP-UHFFFAOYSA-N 356.470 3.601 0 40 FHAB Clc1ccc(COc2ccccc2CNc2nnn[nH]2)c(Cl)c1 22111610 SJZDNYULQCXMED-UHFFFAOYSA-N 350.209 3.698 0 40 FHAB CC(=O)Nc1ccc2c(COC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)cc(=O)oc2c1 108858481 XLYVLUBSJMDEFQ-KKUMJFAQSA-N 369.417 3.621 0 40 FHAB O=C(OCCNc1nc(-c2ccccc2)nc2ccccc12)c1ccncc1 1912356 UCOQDPYKLWNFRC-UHFFFAOYSA-N 370.412 3.961 0 40 FHAB CCOC(=O)/C(=C/c1ccsc1)c1nc(=O)c2c(C)c(C)sc2[nH]1 57815195 JCSRCBNREQTBKK-KPKJPENVSA-N 360.460 3.767 0 40 FHAB CCc1sc(C(=O)N[C@H](c2ccc(OC)cc2)c2nccn2C)cc1C 12602186 PNOGGGZPENLYCO-GOSISDBHSA-N 369.490 3.880 0 40 FHAB Cc1ccc2c(CC(=O)NCc3ccccn3)c(Br)oc2c1 27587548 DMFHXGUOWMHXFT-UHFFFAOYSA-N 359.223 3.758 0 40 FHAB CCN(C(=O)Cc1csc(-c2ncccn2)n1)[C@@H](C)c1ccc(F)cc1 58406254 RNCBZXGSJIAQOZ-ZDUSSCGKSA-N 370.453 3.891 0 40 FHAB O=C1N(Cc2ccccc2)c2ccccc2[C@@]1(O)c1c[nH]c2ccccc12 2204743 UGLZBVXEMIODHZ-HSZRJFAPSA-N 354.409 3.951 0 40 FHAB COc1ccc(C(=O)OCC(=O)c2cc(C)c(C)cc2C)c(OC)c1OC 3369913 OVMSTCICZMZHBI-UHFFFAOYSA-N 372.417 3.677 0 40 FHAB Cc1cccc(C)c1OCC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10545274 KTIONEQWPKLNRQ-QGZVFWFLSA-N 363.461 3.965 0 40 FHAB O=C(Nc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1)[C@H]1CCCO1 28221605 SXFNTGHYDAWTCT-MRXNPFEDSA-N 353.353 3.660 0 40 FHAB Cc1cccc(C)c1OCC(=O)N1CCC(C(=O)c2ccccc2)CC1 10819563 PXJYZFFQOJNNSP-UHFFFAOYSA-N 351.446 3.804 0 40 FHAB O=C(COC(=O)/C=C/c1ccccc1Cl)Nc1cccnc1Cl 3321746 MJKAHJZWGOUNJO-BQYQJAHWSA-N 351.189 3.584 0 40 FHAB CC(C)c1cccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)c1 10930384 IMBXTPLYMHTELP-UHFFFAOYSA-N 355.825 3.812 0 40 FHAB COC(=O)CCS[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 11222166 FOXWDCCRXZTWFP-SFHVURJKSA-N 359.447 3.671 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)COc2ccc(F)cc2)c(OC)c1 12765594 KSLSYCJHPTWTFP-SFHVURJKSA-N 359.397 3.585 0 40 FHAB CCOc1ccc([C@@H]2CCCN2S(=O)(=O)Cc2ccc(F)cc2)cc1 12876346 RLRLIWIVTUXCPS-IBGZPJMESA-N 363.454 3.891 0 40 FHAB COc1ccc(SCC(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 12880960 GLPCZVQOUVUJID-UHFFFAOYSA-N 356.451 3.752 0 40 FHAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(NC(N)=O)c1 8347401 FOOIUVKDDOMMSJ-NSHDSACASA-N 354.435 3.620 0 40 FHAB O=C(CCc1ncc(-c2ccccc2Cl)o1)NO[C@H]1CCCCO1 69417031 HAYQCHZITYLXFX-KRWDZBQOSA-N 350.802 3.502 0 40 FHAB Cc1cccc2[nH]c3c(N4CCN(c5ccc(F)cc5)CC4)ncnc3c12 5156453 SHLKCQAXKUHIDK-UHFFFAOYSA-N 361.424 3.885 0 40 FHAB CC[C@H](C)n1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c2ccccc21 409127723 JNTGPBKVBCQDQR-UXYFDLPDSA-N 358.419 3.733 0 40 FHAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(SC)cc2)cc1 20490480 AQKMEENWCLPHDY-ZDUSSCGKSA-N 351.493 3.847 0 40 FHAB O=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1ccc2c(c1)OCO2 14095837 JUXRQNMCYOORAU-UHFFFAOYSA-N 372.377 3.940 0 40 FHAB CC[C@H]1CCCCN1C(=O)CCNC(=O)Cc1ccc(C(F)(F)F)cc1 65512670 UQLOHFMMCJBDQQ-INIZCTEOSA-N 370.415 3.545 0 40 FHAB CC[C@@H](C)NC[C@@H](O)COC(c1ccc(OC)cc1)c1ccc(OC)cc1 6553077 CIBXAFWEOIRJJM-VQIMIIECSA-N 373.493 3.559 0 40 FHAB COc1cc(C)cc2oc(=O)c(CC(=O)NCc3ccc(C)cc3)c(C)c12 4743191 XLIPUWIYGVHIIM-UHFFFAOYSA-N 365.429 3.586 0 40 FHAB biogenic Cc1cccc2sc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)nc12 5617602 OMIGSOKKWLKCBG-UHFFFAOYSA-N 364.430 3.726 0 40 FHAB Cc1cccc(OCCC(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1 6831489 CXUGRYVSPRNHID-UHFFFAOYSA-N 374.868 3.893 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)Cc1ccc2c(c1)OCO2 15029557 RHWGQBOICKGDTL-CYBMUJFWSA-N 360.841 3.836 0 40 FHAB C[C@H]1CCc2sc(-c3nnc(S[C@H](C)C(=O)NC4CC4)o3)cc2C1 4937686 QCMOLJDDHXOHBO-VHSXEESVSA-N 363.508 3.682 0 40 FHAB O=S(=O)(Nc1ccc(Br)cc1F)c1ccc(F)cc1F 7405259 HISOOJCHAMIQLB-UHFFFAOYSA-N 366.158 3.667 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(OC)c2ncccc12 15840631 KSUDECQRYWBFPY-ZDUSSCGKSA-N 352.390 3.658 0 40 FHAB Cc1ccc([C@@H](CNC(=O)COc2cccc(C)c2C)N2CCCCC2)o1 15860197 YUTOQRQBEVUUOZ-LJQANCHMSA-N 370.493 3.927 0 40 FHAB COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2cccs2)cc1 7701963 WPAODYXOPTURKH-GOSISDBHSA-N 359.472 3.825 0 40 FHAB Cc1cccc(N2CCN(C(=O)CCC(=O)c3ccc(Cl)cc3)CC2)c1 16279149 BRWRPIMFPCRLQO-UHFFFAOYSA-N 370.880 3.960 0 40 FHAB O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1c(F)cccc1F 7927232 RJFDVBCPBDMMTG-CYBMUJFWSA-N 366.433 3.646 0 40 FHAB C[C@H](NC(=O)CSc1ncnc2sccc12)c1ccc(F)cc1F 8940986 NEXTXTZKCNIJHI-VIFPVBQESA-N 365.430 3.939 0 40 FHAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1F)c1ccc(=O)[nH]c1 9579366 BQMISNHKYUGCOB-UHFFFAOYSA-N 370.767 3.651 0 40 FHAB Fc1ccccc1Cc1nnc2sc(Cc3noc4ccccc34)nn12 19910096 LPFZMGZHCKILJL-UHFFFAOYSA-N 365.393 3.648 0 40 FHAB O=C(N[C@H](N1CCCCC1)C(Cl)(Cl)Cl)c1ccc(F)cc1 19925262 PPGLUPYFKYZGQF-CYBMUJFWSA-N 353.652 3.738 0 40 FHAB Cc1ccccc1[C@H](CC(=O)N1CCC[C@@H]1c1ccccc1C)NC(N)=O 84235453 VKCDSIUGIYPOCJ-VQTJNVASSA-N 365.477 3.767 0 40 FHAB COc1ccc(-c2cc(C(=O)NCCSc3ccccc3)n(C)n2)cc1 72406428 DKCIQYNPBPOTOU-UHFFFAOYSA-N 367.474 3.618 0 40 FHAB CCC(CC)(CNCC(=O)N[C@H](C)c1cccc2ccccc12)C(=O)OC 89943046 VJQDMWRJKZELIN-MRXNPFEDSA-N 370.493 3.586 0 40 FHAB COc1ccnc(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)c1 89986344 HOYODKLHAXMRDN-UHFFFAOYSA-N 373.497 3.674 0 40 FHAB O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2CN(Cc3ccsc3)C[C@H]21 306140211 UNABMRBKHZNBML-PKOBYXMFSA-N 371.483 3.763 0 40 FHAB CCC[C@H](C)NC(=O)c1sc2nc(Cc3ccccc3)[nH]c(=O)c2c1C 22461840 HETUPFBMLLVRQF-LBPRGKRZSA-N 369.490 3.802 0 40 FHAB CO[C@@H]1CCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@H](C)S[C@@H](C)C1 1555135577 GHCSXIGPCMURMC-CAOSSQGBSA-N 352.548 3.547 0 40 FHAB COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3C=CN2C)cc1OC 1578176 JTPHLUJGSNTOFP-QGZVFWFLSA-N 355.434 3.921 0 40 FHAB biogenic CC(C)C(=O)Nc1ccc2c([C@@H](C(=O)O)N3C[C@@H](C)C[C@@H](C)C3)c[nH]c2c1 36360782 JAGVASDJLDZGSM-KSMMKXTCSA-N 371.481 3.866 0 40 FHAB Clc1ccccc1Cn1nnc2c(NCCc3ccccc3)ncnc21 35314939 MWYHOWXTTHTGFD-UHFFFAOYSA-N 364.840 3.578 0 40 FHAB O=C(COc1ccccc1Cl)Nc1ccc(Oc2cnccn2)cc1 32930795 YPYLJTPAAYGEIQ-UHFFFAOYSA-N 355.781 3.940 0 40 FHAB Cc1cccc(CN2CCC[C@@H]2c2cncc(Nc3nncs3)n2)c1 72376315 ZMHYJYGSRBOSOT-MRXNPFEDSA-N 352.467 3.717 0 40 FHAB Cc1cc(C(=O)NCC2CCN(c3nc4ccccc4o3)CC2)c(C)o1 70932032 MEHZYDBJGDXWQM-UHFFFAOYSA-N 353.422 3.684 0 40 FHAB COc1cccc(CN(C)C(=O)NCCSCc2cccs2)c1 40071186 UQIKPUGTLRMVTI-UHFFFAOYSA-N 350.509 3.832 0 40 FHAB O=C(CSCc1ccccc1)N[C@H](c1cccnc1)C1CCOCC1 225618251 RAUKUGCOKNCQEO-FQEVSTJZSA-N 356.491 3.599 0 40 FHAB CCCO[C@]1(C(=O)Nc2ccc(OCCOCC)nc2)CCC[C@H](C)C1 225910894 TURRBXOPBKGZSF-OXJNMPFZSA-N 364.486 3.811 0 40 FHAB COc1ccc([C@H](C)NC(=O)COc2cccc3cccnc23)cc1OC 194952703 CIKZUCDVALCLRV-AWEZNQCLSA-N 366.417 3.508 0 40 FHAB COc1ccc(CSCC(=O)NCCOc2cc(C)cc(C)c2)cc1 224055856 SJIFPQCZNGIUFV-UHFFFAOYSA-N 359.491 3.740 0 40 FHAB O=c1c2ccccc2cnn1-c1nc2ccc(Br)cc2s1 226239847 LUDKBHLPLNNIJH-UHFFFAOYSA-N 358.220 3.758 0 40 FHAB CCCO[C@@]1(C(=O)Nc2cnc(OCCOC)c(C)c2)CCC[C@H](C)C1 225911669 WMCKMOWUQBPVJA-YWZLYKJASA-N 364.486 3.729 0 40 FHAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCOCC)nc1C 225904852 OMOJHOKMDVWLLL-HXUWFJFHSA-N 366.502 3.975 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)c1C 224964293 XPWFMVKDJWTRSW-LJQANCHMSA-N 367.489 3.935 0 40 FHAB O=C(NCC[C@@H](O)c1ccco1)NC(c1ccccc1)c1ccccc1 77113019 RLYBESCJNLJHOL-GOSISDBHSA-N 350.418 3.792 0 40 FHAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)/C(=C/c1cccs1)NC(=O)c1ccccc1 224471631 KPNDTHLCHDTJHF-JLHKZZJFSA-N 366.486 3.824 0 40 FHAB O=S(=O)(Cc1ccc(F)cc1)Nc1ccc(Cc2ccncc2)cc1 135700723 CRXGGRZVWKCEOB-UHFFFAOYSA-N 356.422 3.753 0 40 FHAB CCc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)CC)cc2)cc1 225502795 AODGMCVHJCKGLN-AWEZNQCLSA-N 360.479 3.502 0 40 FHAB O=C(O)c1ccc(CN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 147144610 LRULVYSBRWUVGR-YADHBBJMSA-N 364.489 3.743 0 40 FHAB COc1cc(-c2noc(CN3CCC[C@@H]3c3ccccn3)n2)ccc1C 533025607 FZJONJQEDJEKEV-QGZVFWFLSA-N 350.422 3.786 0 40 FHAB Cc1ccc(C(=O)N2CC[C@]3(C[C@@H]3C(=O)Nc3cccc(F)c3)C2)cc1C 96075040 MVMYHJIEBMGAPP-KNQAVFIVSA-N 366.436 3.933 0 40 FHAB CC(=O)Nc1cccc2c1ccn2CC(=O)N[C@H](C)CCc1ccccc1 96114925 QXTJPCLSHLJRDE-MRXNPFEDSA-N 363.461 3.737 0 40 FHAB biogenic CC(C)c1ncc(CN2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@H]3C2)cn1 248197425 RENMGUPXFFASRP-RBDMOPTHSA-N 369.484 3.859 0 40 FHAB CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2ccnc(C(F)(F)F)c2)cc1 585083598 KQVQTQRKJZTAHV-LSDHHAIUSA-N 350.340 3.785 0 40 FHAB CCN1C(=O)CC[C@@H](C(=O)NCc2ccccc2)[C@@H]1c1ccccc1C 257256382 KLFLVWDYJWECIS-CTNGQTDRSA-N 350.462 3.611 0 40 FHAB Cc1noc(C)c1CC(=O)N1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCCN2C 257202374 ALMFJUCMGIBZFJ-PCCBWWKXSA-N 367.493 3.660 0 40 FHAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccnc2)S1 260762703 HELJNOWUMUFVJA-MDASCCDHSA-N 361.474 3.857 0 40 FHAB Cc1c(NC(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)cccc1N(C)C 654028894 NIRYTWLFSLXFSU-WFASDCNBSA-N 359.392 3.683 0 40 FHAB COc1cc(C(=O)Nc2ccc3oc(=O)ccc3c2)ccc1OC(F)F 54253630 GZIUUISWWZQCRF-UHFFFAOYSA-N 361.300 3.655 0 40 FHAB C[C@@H](NC(=O)NC[C@@H](O)c1cccc2ccccc12)c1cccc(O)c1 1234064416 WJMVKJFOXPJWJE-JLTOFOAXSA-N 350.418 3.639 0 40 FHAB CO[C@H]1OC[C@H]2OC3(CCCCC3)O[C@@H]2[C@@H]1SCc1ccccc1 5048032 WQVNBEOWEQNGAD-OWSLCNJRSA-N 350.480 3.736 0 40 FHAB Cc1ccc(-n2nc(C)cc2OS(=O)(=O)c2ccc(Cl)cc2)cc1 11691534 XIMFNILWNZOCEC-UHFFFAOYSA-N 362.838 3.910 0 40 FHAB O=C(NCCCc1ccccn1)c1ccc2c(c1)nnn2C1CCCCC1 12148575 KIXRWXAOEOSYHX-UHFFFAOYSA-N 363.465 3.694 0 40 FHAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 12219901 PHKBVABBZOHAFM-INIZCTEOSA-N 365.481 3.961 0 40 FHAB O=C(c1ncoc1-c1cccc(F)c1)N1CCN(C2CCCCC2)CC1 12338301 DZIOUIFRQNJPFA-UHFFFAOYSA-N 357.429 3.571 0 40 FHAB COC(=O)c1cc(NCC(=O)Nc2ccc(Cl)cc2F)c(F)cc1F 13018941 BLSCAZQOIPQIOG-UHFFFAOYSA-N 372.730 3.595 0 40 FHAB COc1cc2cc(CNc3ccc4c(c3)CCC4)c(=O)[nH]c2cc1OC 13561410 YPWIZGWSYCQYSC-UHFFFAOYSA-N 350.418 3.646 0 40 FHAB O=C(N[C@@H]1CCCc2nc(-c3cccnc3)ncc21)c1ccccc1Cl 19347748 QCLDYVGFUNRGQV-GOSISDBHSA-N 364.836 3.999 0 40 FHAB COc1ccccc1/C=C/CN1CCC[C@H](c2nc(C)c(C)c(O)n2)C1 19555338 DWHYSMHWQOCZDL-YOCVDRLZSA-N 353.466 3.700 0 40 FHAB Cc1nc(C)c(C(=O)N2CCC[C@H](c3nc(C)n4ccsc34)C2)s1 19560024 WILMQEZGFIOKSO-ZDUSSCGKSA-N 360.508 3.797 0 40 FHAB Cn1cc(C(=O)Nc2ccc3[nH]c(C(C)(C)C)nc3c2)c2ccccc2c1=O 19663652 VBZFFXSDGNOBNZ-UHFFFAOYSA-N 374.444 3.965 0 40 FHAB COc1ccc(N2C(=O)S/C(=C/c3nc4ccccc4n3C)C2=O)cc1 5236060 RLXOSVILNMOODS-LFIBNONCSA-N 365.414 3.823 0 40 FHAB CCc1ccccc1NC(=O)C1CCN(C(=O)NC2CCCCC2)CC1 35289061 GELBDJPGCCXYBS-UHFFFAOYSA-N 357.498 3.942 0 40 FHAB CN(CC1CCN(Cc2cccnc2)CC1)c1cc(C(F)(F)F)ccn1 1888859512 IMSNOYJUASSXCB-UHFFFAOYSA-N 364.415 3.844 0 40 FHAB Cc1cccc(CN2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@@H]32)n1 1889114180 QSHDJNBAFIZHMY-YOEHRIQHSA-N 362.399 3.515 0 40 FHAB C[C@@]1(C(=O)N2CCC3(CC2)CN(Cc2cccs2)CCO3)CC=CCC1 1565554784 FGAHUHFGGPXSMJ-HXUWFJFHSA-N 374.550 3.688 0 40 FHAB C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 779379 BLOQJEIFRYSNAF-NSHDSACASA-N 351.859 3.883 0 40 FHAB CC(C)Oc1ccc(C(=O)N(CN2CCCC2=O)c2ccc(F)cc2)cc1 3959659 WPPDLLUCNHJBTG-UHFFFAOYSA-N 370.424 3.840 0 40 FHAB Cc1ccc2cc(CCNC(=S)Nc3cccc(F)c3)c(=O)[nH]c2c1 4225303 KHVNZCGRMBXNCX-UHFFFAOYSA-N 355.438 3.505 0 40 FHAB COc1ccc(C(=O)Nc2nnc(-c3ccccc3SC)o2)c(OC)c1 4585550 DOPCMQKESUXKCE-UHFFFAOYSA-N 371.418 3.728 0 40 FHAB CC(C)C1CCC(C(=O)N[C@@H](C(=O)NCCc2ccccc2)C(C)C)CC1 10109834 WWAUBFAKKZEAOG-XVAXZDLZSA-N 372.553 3.949 0 40 FHAB COc1ccc(Cl)cc1C(=O)NCc1cccnc1-c1ccncc1 225748631 UCTZJRDXYVUJGE-UHFFFAOYSA-N 353.809 3.736 0 40 FHAB COc1cccc(C=O)c1OCCCSc1nnc(C(C)(C)C)o1 8731643 BWHPRGMLGANZBL-UHFFFAOYSA-N 350.440 3.749 0 40 FHAB CC(C)C[C@H](NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)c1cccs1 40157306 UMBBGWIZUPAWHY-CJNGLKHVSA-N 370.474 3.636 0 40 FHAB O=C(NCC1(c2ccccc2)CCC1)c1ccc2c(O)[nH]c(=S)nc2c1 40108665 HXYPTCIYNUAFRT-UHFFFAOYSA-N 365.458 3.850 0 40 FHAB Cc1c(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)oc2c1C(=O)CCC2 40132855 WSQUMRUTHAGTDH-INIZCTEOSA-N 369.417 3.917 0 40 FHAB COc1ccc(OCCN(C)C(=O)c2sccc2-n2cccc2)cc1 30558044 ISAJPVVEGCYRGL-UHFFFAOYSA-N 356.447 3.698 0 40 FHAB OCCCc1nc2n(n1)[C@H](c1ccco1)C=C(c1ccc(Cl)cc1)N2 100635032 DFFPPAWGPVCGLF-HNNXBMFYSA-N 356.813 3.505 0 40 FHAB Cc1cc(Cl)ccc1NC(=O)COC(=O)c1cccc(N2CC=CC2)c1 101440599 FRXNNNBXCRELIZ-UHFFFAOYSA-N 370.836 3.820 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)NCCc1ccccc1)c1ccc(Cl)cc1 29318773 ZYUNZXCVJWYKNZ-SFHVURJKSA-N 368.868 3.705 0 40 FHAB Cc1ccc2c(c1)cc(C)c1nnc(SCC(=O)NCc3ccco3)n12 877117 ZFAISPAJZDWKJK-UHFFFAOYSA-N 366.446 3.501 0 40 FHAB Cc1c(C(=O)OC(C)C)sc2ncn(Cc3ccccc3F)c(=O)c12 958750 HPKMUYBVXLGYMZ-UHFFFAOYSA-N 360.410 3.519 0 40 FHAB Cc1noc(N)c1C(=O)OCc1csc(Cc2ccc(Cl)cc2)n1 46232435 MXGOQZZBUJBTIE-UHFFFAOYSA-N 363.826 3.623 0 40 FHAB O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)OC1CCCC1 1703551 RNUGKTPNXSCIHX-UHFFFAOYSA-N 366.483 3.789 0 40 FHAB Cc1cc(C)cc(NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c1 3015137 VOZRIDRQMVLBBT-UHFFFAOYSA-N 367.474 3.592 0 40 FHAB COC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 3083713 HUNDOBJNWPTWNT-UHFFFAOYSA-N 374.396 3.978 0 40 FHAB Cc1ccc(C(=O)N2N=C3CCCC[C@@H]3[C@]2(O)C(F)(F)F)cc1Cl 4199268 UDAUADKJEUEBMD-NHYWBVRUSA-N 360.763 3.901 0 40 FHAB CCN(CC)Cc1ccc(NC(=S)NC(=O)c2cccc(OC)c2)cc1 6629897 DBQYXRZFTLSNNM-UHFFFAOYSA-N 371.506 3.664 0 40 FHAB C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)n1cnc2ccccc21 32914249 ALUNRTGATXIWAP-CYBMUJFWSA-N 350.447 3.866 0 40 FHAB COc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(N)c3)cc2)cc1 7468480 LRBZSVCJUXEZDO-UHFFFAOYSA-N 361.401 3.782 0 40 FHAB Cc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1Cl 10314770 QQAGKNBYNLSWSD-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCNC(=O)OC(C)(C)C 8031770 YLWMGHGWFIVMAK-UHFFFAOYSA-N 360.376 3.579 0 40 FHAB CCCCOC(=O)c1ccc2nc(NC(=O)c3cccnc3)sc2c1 8903219 FSTBFZLJXSDGQY-UHFFFAOYSA-N 355.419 3.901 0 40 FHAB O=S(=O)(Nc1cccc(C2OCCO2)c1)c1ccc2ccccc2c1 59489553 LGHWVZQZQFNILK-UHFFFAOYSA-N 355.415 3.686 0 40 FHAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc(OC(F)(F)F)cc1 10753663 NRHKVIYTBKXNBY-UHFFFAOYSA-N 367.323 3.928 0 40 FHAB O=C(NC1CCN(CC(F)F)CC1)c1cc2c(ccc3ccccc32)[nH]1 58364303 AUEYHADJKJNSML-UHFFFAOYSA-N 357.404 3.780 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)cc1 876277 RQNXYYJRTPIRRI-UHFFFAOYSA-N 352.463 3.830 0 40 FHAB CCOc1cc(CNc2ncc(-c3ccc(OC)cc3)n2C)ccc1O 819115 TTWNUGWWNNWXMS-UHFFFAOYSA-N 353.422 3.812 0 40 FHAB Cc1cc(Br)ccc1NC(=O)C[C@@H](C(=O)O)c1ccccc1 8746171 DTARPVZYQBLZGF-CQSZACIVSA-N 362.223 3.955 0 40 FHAB CCN(C(=O)CN1C(=O)COc2cc(C(C)(C)C)ccc21)c1ccccc1 51316170 QAJRDPNGLWEWKV-UHFFFAOYSA-N 366.461 3.763 0 40 FHAB CC(=O)Nc1ccc2c(CN(C)Cc3ccccc3C)cc(=O)oc2c1 23816703 JQKNWJMLXYUENI-UHFFFAOYSA-N 350.418 3.692 0 40 FHAB CCN1CCN(c2ccc(NC(=O)c3ccc4ccccc4n3)c(C)c2)CC1 25184946 PIBBRTJCZPGXMS-UHFFFAOYSA-N 374.488 3.937 0 40 FHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)Cn1cnc2ccccc21 12564559 LPUJNCMCZBDJCN-MDZRGWNJSA-N 372.465 3.584 0 40 FHAB CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1C 12526022 XHBFLUGXZPZXLL-OAHLLOKOSA-N 360.479 3.633 0 40 FHAB CCn1cc(CC(=O)N[C@H](C)[C@H](O)c2cccc(F)c2)c2ccccc21 83843376 OCXKRRFRGLZPED-SZNDQCEHSA-N 354.425 3.581 0 40 FHAB C[C@H](Oc1cccc(F)c1)C(=O)N(C)c1nnc(-c2ccccc2)s1 76093101 ACDAGADHGZXILF-LBPRGKRZSA-N 357.410 3.775 0 40 FHAB CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2c(C)cccc2C(C)C)cc1 3262231 PIFIEKJDUDKWRC-UHFFFAOYSA-N 368.433 3.872 0 40 FHAB Cc1ccc(Nc2nnc(SCC(=O)NC(C)(C)C)s2)cc1C 3294748 JAORFQANWMZHJK-UHFFFAOYSA-N 350.513 3.905 0 40 FHAB Clc1ccc(OCCN2CCN(c3ncnc4sccc34)CC2)cc1 58164018 NYPQKNLHCFKMRM-UHFFFAOYSA-N 374.897 3.546 0 40 FHAB CCn1cc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)cn1 27921123 KVPPUXKJOHRUKP-UHFFFAOYSA-N 360.421 3.587 0 40 FHAB Fc1ccc2[nH]c3c(N4CCN(c5ccccc5F)CC4)ncnc3c2c1 2296474 HWNULMJTKQMHNN-UHFFFAOYSA-N 365.387 3.716 0 40 FHAB C[C@@H](NC(=O)CNC(=O)c1ccccc1F)c1ccc2ccccc2c1 12777996 UMUAPANJWLITLW-CQSZACIVSA-N 350.393 3.586 0 40 FHAB Cc1cc(C)c(-c2csc(NC(=O)Cn3c(C)csc3=O)n2)c(C)c1 12763303 UYXGXCLTFUHWRR-UHFFFAOYSA-N 373.503 3.906 0 40 FHAB Cc1ccc2nc(NC(=O)c3cc(C)nc4c3c(C)nn4C)sc2c1 12758097 MQHDZDURNIZPQV-UHFFFAOYSA-N 351.435 3.756 0 40 FHAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)O[C@H]1CCCCNC1=O 11477108 LJOQOZZIXORRLA-ZDUSSCGKSA-N 364.854 3.597 0 40 FHAB Cc1noc(C)c1CC(=O)NCc1ccccc1CN1C[C@@H](C)C[C@H](C)C1 48332100 WHLAJYPFXDKOHZ-HOTGVXAUSA-N 369.509 3.628 0 40 FHAB COc1ccc(CCC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1OC 12930519 YWIKWUYPXDHYBL-UHFFFAOYSA-N 357.494 3.969 0 40 FHAB COc1ccccc1OCCC(=O)N[C@H]1CCSc2ccc(F)cc21 8761836 ADPPNQSDVVRLEU-HNNXBMFYSA-N 361.438 3.957 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(-n2ccnc2)cc1 20462667 HUKBWEJVMBRHKU-CQSZACIVSA-N 355.825 3.609 0 40 FHAB C[C@@]1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 70915649 NGTKYDCBAVGDLQ-OAQYLSRUSA-N 351.402 3.732 0 40 FHAB Nc1c(Cl)cc(Cl)cc1C(=O)OCCOC(=O)c1ccccc1 6078323 LOCNWQJTWADFJF-UHFFFAOYSA-N 354.189 3.589 0 40 FHAB CCOC(=O)[C@@H](Sc1nncn1-c1ccccc1F)c1ccccc1 6129244 SNVOOINCRIKAFP-INIZCTEOSA-N 357.410 3.803 0 40 FHAB CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)c1 5111656 BVDPIROJLMFATE-UHFFFAOYSA-N 365.307 3.704 0 40 FHAB COCc1nc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cs1 65105791 HTJJEOHWVABUQG-UHFFFAOYSA-N 353.447 3.700 0 40 FHAB CCCCNC(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1 6471230 JVHGRHXCDLGFCZ-UHFFFAOYSA-N 365.430 3.548 0 40 FHAB COc1cccc(C(=O)N[C@@H](C)c2ccc(Br)cc2)c1O 14120904 OEXCDFXFSRQRFR-JTQLQIEISA-N 350.212 3.654 0 40 FHAB Cc1cccn2cc(COc3ccc(C(=O)Nc4ncccc4O)cc3)nc12 23240304 JIDRDFRNSJNEEE-UHFFFAOYSA-N 374.400 3.575 0 40 FHAB O[C@](/C=C/c1cccc(C(F)(F)F)c1)(Cn1ccnc1)c1cccnc1 4626501 QHTJMWIPFJJLCC-IPLHWJFFSA-N 359.351 3.898 0 40 FHAB O=C(COc1ccccc1)Nc1ccc(C(=O)NCc2ccccc2)cc1 4659754 YFBDZZDTLVTHGB-UHFFFAOYSA-N 360.413 3.634 0 40 FHAB COc1ccc(NC(=O)NC(=O)c2c(C)cc(Cl)nc2Cl)cc1 6668343 OYNLSUFGMCSTCI-UHFFFAOYSA-N 354.193 3.667 0 40 FHAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1n[nH]c(=O)c2ccccc12 6649420 AHXYWJLEJFNCES-VAWYXSNFSA-N 368.396 3.741 0 40 FHAB Cc1cccc(C(=O)OCC(=O)N2CC[C@@H](C)Sc3ccccc32)c1O 5986614 FILAVXAIWCSKMN-CQSZACIVSA-N 371.458 3.775 0 40 FHAB CC(C)(C)OC(=O)N[C@@H]1CCCN(c2c(F)c(F)c(F)c(F)c2F)C1 96011539 RVDIOSUQWMMYCR-MRVPVSSYSA-N 366.330 3.876 0 40 FHAB CC(C)c1ccc(NC(=O)[C@H](C)N(C)CC(=O)Nc2ccc(F)cc2)cc1 7267616 YPNYBGXEXXRZRX-HNNXBMFYSA-N 371.456 3.847 0 40 FHAB CC(=O)c1cccc(NC(=O)CSc2nc(-c3ccccc3C)n[nH]2)c1 7342004 QSFQRULALRSOFA-UHFFFAOYSA-N 366.446 3.714 0 40 FHAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc(NC(=O)c2ccco2)cc1 8061786 ZILVOCAQKAWJCD-QGZVFWFLSA-N 362.385 3.786 0 40 FHAB CCOc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c(OCC)cc1C 16780062 QYFILAGRULHCMS-DZGCQCFKSA-N 355.500 3.649 0 40 FHAB COc1ccc(NC(=O)COc2cc(C)ccc2C)cc1OC(F)F 22762581 LCAJKEPSALBDES-UHFFFAOYSA-N 351.349 3.931 0 40 FHAB CC[C@@H](Sc1nc(-c2ccc(C)cc2)n[nH]1)C(=O)Nc1cc(C)on1 9885157 RMPBFJKTNKWVRF-CYBMUJFWSA-N 357.439 3.586 0 40 FHAB Cc1cccc(C(=O)OCC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 9834545 VSKSMIQRBDPTEN-UHFFFAOYSA-N 363.369 3.880 0 40 FHAB Cc1cc(CN2CC(C)CN(Cc3cc(C)on3)c3ccccc32)no1 78970318 ZYBZXDCJCPQTAE-UHFFFAOYSA-N 352.438 3.942 0 40 FHAB Cc1ccc(CNC(=O)COc2ccccc2C(=O)OC(C)(C)C)cc1 97143615 UBRQWSCYJYFNJO-UHFFFAOYSA-N 355.434 3.646 0 40 FHAB C[C@@H](NC(=O)N[C@@H]1CCc2ccccc21)c1nc(-c2ccc(F)cc2)no1 84667752 SPMXPIPZFALCIK-SJKOYZFVSA-N 366.396 3.923 0 40 FHAB COc1cccc(C(=O)Nc2cc(C)nn2-c2ccccc2C)c1OC 95946850 MXHUNBHNDYVBED-UHFFFAOYSA-N 351.406 3.759 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1 60525540 PTXYKOGIYKFKAR-UHFFFAOYSA-N 360.479 3.633 0 40 FHAB CC(=O)N(c1ccccc1)c1nc([C@H]2NC(=O)c3ccccc3N2)cs1 28922838 QZOPXIDWDGPLTQ-QGZVFWFLSA-N 364.430 3.682 0 40 FHAB CC(C)COc1ccc(NC(=O)[C@@H](C(C)C)N2CCCC2=O)cc1Cl 60291343 FBNOICGMUKQLCN-GOSISDBHSA-N 366.889 3.960 0 40 FHAB CO[C@H](CNC(=O)c1ccc(Br)o1)c1ccccc1Cl 121895948 QYROFGFQVXVIAG-GFCCVEGCSA-N 358.619 3.813 0 40 FHAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(N(C)C)nc2)cc1 32277629 RFBKCMNZPKIOJL-IBGZPJMESA-N 353.466 3.914 0 40 FHAB COc1ccc([C@@H]2CCCN2Cc2nc3ccccc3n2C)cc1OC 36753020 ITUQECOUULIRNG-KRWDZBQOSA-N 351.450 3.928 0 40 FHAB Cc1cccc(Nc2cccc([C@@H]3CCCN3Cc3cn(C)nc3C)n2)n1 72375345 BQVYDXPYELVUPF-IBGZPJMESA-N 362.481 3.908 0 40 FHAB CCCc1csc(NC(=O)N2CCO[C@]3(CCc4ccccc43)C2)n1 180685550 ABKXROATZSGDAF-LJQANCHMSA-N 357.479 3.801 0 40 FHAB COc1cccc(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)c1 40142742 ALVUWWBLHFDZCR-NRFANRHFSA-N 366.505 3.898 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=S)NCCCOC2CCCC2)c1 225620020 NNEFJEWOLDQMLV-UHFFFAOYSA-N 370.902 3.762 0 40 FHAB COCCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222826202 VCIFLSGISOLFOL-OALUTQOASA-N 372.538 3.527 0 40 FHAB Cc1cc(O[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)ccc1Cl 222841417 VZNDOSBYMHXYCF-KRWDZBQOSA-N 372.896 3.760 0 40 FHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)[nH]1 223524011 ZUUYAKOHZVFRSJ-RBUKOAKNSA-N 363.490 3.594 0 40 FHAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 225101568 SMIFHPDQJZBRMG-HXUWFJFHSA-N 370.468 3.702 0 40 FHAB COCc1nc2nccc(-c3cc4c(cc3C)[C@H](C)CC(C)(C)N4)n2n1 575473112 HOIHPLTXUGFPQY-CYBMUJFWSA-N 351.454 3.944 0 40 FHAB CC1(C)CCc2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2O1 223704441 PKVJEEVACIDMFX-UHFFFAOYSA-N 357.475 3.537 0 40 FHAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCN(Cc2ccc(Cl)cc2F)CC1 225576973 IZFVSTLWSVWYOC-ZBQZNYHESA-N 364.892 3.996 0 40 FHAB COc1cccc(-c2noc(CCC(=O)N3c4ccccc4C[C@@H]3C)n2)c1 225825586 ZLYQDYNCSPYSTN-AWEZNQCLSA-N 363.417 3.656 0 40 FHAB O=C(O)c1nn(-c2ccccc2)cc1/C=C/c1nnc(-c2ccccc2)o1 96306088 HTCZOXCFJXOMGF-VAWYXSNFSA-N 358.357 3.791 0 40 FHAB O=S(=O)(c1ccccc1Br)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 618257266 UATTZQOLYXXHGV-KBPBESRZSA-N 368.296 3.855 0 40 FHAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(Cc2sccc2C)C3)n1 253599859 VNHASUKWPRDTJY-SFHVURJKSA-N 358.507 3.710 0 40 FHAB C[C@]1(Cc2ccccc2)CCCN1C(=O)NCc1cnc2n1CCCC2 585083124 OKADKESRWMXEBE-OAQYLSRUSA-N 352.482 3.526 0 40 FHAB C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1ccc2c(c1)COCO2 73558888 IDWNXXZCGHZVEW-QEEYODRMSA-N 353.418 3.544 0 40 FHAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCc1ccon1 89526023 LWRGNFRUKMGFTE-UHFFFAOYSA-N 366.204 3.917 0 40 FHAB COc1c2c(cc3c1CCC(C)(C)O3)OC[C@H](c1ccc(O)cc1O)C2 1615235372 UKVRDJKAWOLCBG-GFCCVEGCSA-N 356.418 3.929 0 40 FHAB biogenic CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1 7218254 AGKDSIKZSHMWCX-UHFFFAOYSA-N 374.687 3.923 0 40 FHAB COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)Nc1ccc(C)c(C)c1 5753738 XRPBAYYDRPGDGL-LJQANCHMSA-N 365.433 3.579 0 40 FHAB Cc1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)n1C1CCCCC1 5865598 LTJFIECYIXKMCR-CJNGLKHVSA-N 350.532 3.879 0 40 FHAB CCOCCCNc1cc(C)nc2c(-c3ccc(OC)cc3)c(C)nn12 12113317 UIGIPOGVCAZVFX-UHFFFAOYSA-N 354.454 3.860 0 40 FHAB Cc1nc2ccc(C(=O)NCc3noc(-c4ccccc4)n3)cc2s1 12203114 FQZHGYGHHCRJJA-UHFFFAOYSA-N 350.403 3.585 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)CCOc1cc(C)cc(C)c1 13007768 ZYKZJGAISVMDHQ-UHFFFAOYSA-N 356.422 3.678 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 14412892 BTWUIACRQSMHAU-INIZCTEOSA-N 374.506 3.912 0 40 FHAB CCCn1c(=O)n(CCC(=O)Nc2cccc(Cl)c2)c2ccccc21 16200057 QGIPALBXGBJMSY-UHFFFAOYSA-N 357.841 3.895 0 40 FHAB COc1cccc([C@H]2CN(C(C)=O)[C@@H]3CCN(Cc4ccsc4)C[C@H]23)c1 19019467 ATZBSPUCXIUUNX-NJDAHSKKSA-N 370.518 3.593 0 40 FHAB C[C@H](C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1)n1cc(Cl)cn1 19078234 SQLMICHOTIXCOY-KGLIPLIRSA-N 365.836 3.554 0 40 FHAB Cc1ccc2c(c1)CN(C(=O)c1cccs1)CC1(CCN(C)CC1)O2 19219529 GVTHDXSKSHTQDS-UHFFFAOYSA-N 356.491 3.556 0 40 FHAB Cn1c(-c2ccc(F)cc2)cnc1NC(=O)Cc1cccc2cccnc12 19716241 BBZZPVNTMONIJW-UHFFFAOYSA-N 360.392 3.956 0 40 FHAB O=C(Nc1cccc(-n2cccn2)c1)c1cccc(Nc2ncccn2)c1 19716304 DXLAQVPCNCUVSQ-UHFFFAOYSA-N 356.389 3.658 0 40 FHAB O=C(COC(=O)/C=C/c1ccc(C(F)(F)F)cc1)NC1CCCCC1 3448410 UOLBIFFSHQFVRB-DHZHZOJOSA-N 355.356 3.711 0 40 FHAB C[C@@H]1CC[C@@H](C)[C@H](NC(=O)c2ccc(I)cc2)C1 4409160 UKUJCWUKFVTSPO-JTNHKYCSSA-N 357.235 3.846 0 40 FHAB COc1c2c(cc3oc(=O)c(-c4ccc(O)cc4O)cc13)OC(C)(C)CC2 2563650 PHHAXWBLJNBVNS-UHFFFAOYSA-N 368.385 3.983 0 40 FHAB endogenous,in-man Cc1nc(C)c(CC(=O)N2CCC(c3nc(C)n4ccsc34)CC2)s1 19560378 HEQSIMWRFCHJSN-UHFFFAOYSA-N 374.535 3.726 0 40 FHAB O=C(CN1C(=O)NC2(CCCC2)C1=O)c1ccc(C2CCCCC2)cc1 4548047 LQNYWPAELGWGPU-UHFFFAOYSA-N 354.450 3.782 0 40 FHAB COC(=O)c1ccccc1NC(=O)c1cc(F)ccc1Br 9499458 NTIZWOBTNYALTB-UHFFFAOYSA-N 352.159 3.627 0 40 FHAB C[C@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)c1ccc(C(F)(F)F)cc1 30116829 SEZSVFQCZWEHLS-LBPRGKRZSA-N 368.399 3.531 0 40 FHAB O=C(/C=C/c1c(Cl)nc2sccn12)OCc1nc2ccccc2o1 32560524 GFFGDUCBZAXPHU-AATRIKPKSA-N 359.794 3.947 0 40 FHAB Cc1ccc(CN2CCC3(CC2)CC(=O)NCc2ccccc2N3)cc1C 2037980865 KPLAPLWFWSZQLA-UHFFFAOYSA-N 363.505 3.770 0 40 FHAB CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)C[C@H](C)CC3)cc1 4071938 ZLQJYVXHVJGLIZ-LLVKDONJSA-N 358.463 3.623 0 40 FHAB COc1ccc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1OC 4224057 PKMIZIKPZLNWQO-UHFFFAOYSA-N 368.414 3.972 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)N1CCn2cccc2[C@H]1c1cccs1 4854589 VTNZQLXHOVKGRG-SFHVURJKSA-N 367.430 3.915 0 40 FHAB O=C(Nc1ccccc1Cl)c1ccc(N2CCCCS2(=O)=O)cc1 5438613 OJEKNFHIWTWDLT-UHFFFAOYSA-N 364.854 3.522 0 40 FHAB O=C(NC[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1Cl 8983556 LHLMAPYEGSTRKB-LBPRGKRZSA-N 363.244 3.776 0 40 FHAB O=C(O)c1cccc(NS(=O)(=O)c2ccc(Cl)c3ccccc23)c1 32601651 KULMRMPKELUUKN-UHFFFAOYSA-N 361.806 3.992 0 40 FHAB O=C(Cn1nc2c3c(cccc31)C(=O)c1ccccc1-2)NC1CCCCC1 16524071 FEZMMBDOXCRJME-UHFFFAOYSA-N 359.429 3.697 0 40 FHAB O=C([C@H](Sc1nnc(-c2ccc[nH]2)o1)c1ccccc1)N1CCCCC1 18367587 KLXGZIVOKUFEHQ-MRXNPFEDSA-N 368.462 3.911 0 40 FHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc([C@H]3C[C@H]3C)o2)cc1Cl 40091314 UXAPADSMEOENLR-RISCZKNCSA-N 369.870 3.886 0 40 FHAB O=C(c1ccc(F)cc1)N(Cc1ccc2c(c1)OCCO2)CC(F)(F)F 40155021 QUFMLSXVYCNKBJ-UHFFFAOYSA-N 369.314 3.802 0 40 FHAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cnn(-c2ccccc2)c1 31265734 RIBKMWZIRNGMHT-HXUWFJFHSA-N 363.417 3.682 0 40 FHAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CCc2ccccc2C1 32879055 VXHRAMFZSLCRNF-UHFFFAOYSA-N 350.393 3.998 0 40 FHAB O=c1cc(O)c2sc(SCc3ccc(Br)cc3)nc2[nH]1 4945355 XIGVQIMLJNPOMJ-UHFFFAOYSA-N 369.265 3.745 0 40 FHAB O=C(O)c1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)c1 8470070 LLJTUOQJLPKHJU-UHFFFAOYSA-N 360.369 3.889 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(NC3CC3)s2)c1C 7826318 BEUIZPPRZOUJEO-SNVBAGLBSA-N 364.496 3.623 0 40 FHAB CC(=O)c1cccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)c1 9063523 ZNRFWEUNUCOQFM-UHFFFAOYSA-N 354.425 3.879 0 40 FHAB CC(C)CNC(=O)c1ccccc1NC(=O)CNc1cccc(Cl)c1 22692090 UBMBYEAZVQKDGJ-UHFFFAOYSA-N 359.857 3.776 0 40 FHAB CCOc1cc2c(cc1CNC[C@@H](c1ccco1)N1CCCC1)O[C@H](C)C2 22933807 CUOMTNSDJHCUTN-APWZRJJASA-N 370.493 3.928 0 40 FHAB C[C@H]1[C@@H](OC(=O)c2cccc(N3C(=O)CCC3=O)c2)C[C@@H]2C[C@@H]1C2(C)C 108904504 IGPLREQKGCQVKF-QCPWZWHMSA-N 355.434 3.568 0 40 FHAB Cc1cc(S[C@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)ncn1 941260 YHHBCRNXNTZKOD-NSHDSACASA-N 366.657 3.596 0 40 FHAB O=C(/C=C/c1ccccc1)N1CCN(Cc2nc3ccccc3s2)CC1 24193344 BQCPBLDWHRWYOP-ZHACJKMWSA-N 363.486 3.654 0 40 FHAB COc1ccc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2cccnc2)c(C)c1C 100148591 QKXHCYCASSYFCZ-SFTDATJTSA-N 366.505 3.827 0 40 FHAB C[C@@](O)(CS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1Cl 1388750 QYLPAGWWYRPQPD-MRXNPFEDSA-N 359.274 3.816 0 40 FHAB C[C@H](SCc1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1 59271318 MKIFXLALRUNCDU-INIZCTEOSA-N 358.482 3.796 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN1C(=O)c1ccco1 24992936 DPZYJAXNBLWOFM-ZDUSSCGKSA-N 353.205 3.830 0 40 FHAB Cc1cccnc1NC(=O)c1cc(=O)c(OCc2ccccc2Cl)c[nH]1 61717647 MAFZECRDFVJURN-UHFFFAOYSA-N 369.808 3.563 0 40 FHAB Cc1ccc(CN(C)C(=O)Cn2c(-c3cscn3)nc3ccccc32)o1 8132808 MDZPONZVWHLJMU-UHFFFAOYSA-N 366.446 3.720 0 40 FHAB CCc1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1 10684195 VKGQAZFOUPRERA-OAHLLOKOSA-N 354.450 3.795 0 40 FHAB COc1ccccc1CCNC(=O)N1CCC(Cc2ccccc2)CC1 26523128 ZQNRHWQARWINCQ-UHFFFAOYSA-N 352.478 3.902 0 40 FHAB COc1cccc(-c2cc(C(=O)NCc3ccc(F)c(Cl)c3)n[nH]2)c1 57413805 MTPVPJKVWCWWME-UHFFFAOYSA-N 359.788 3.808 0 40 FHAB CCOC(=O)c1cc(NC(=O)c2c(OC)cccc2OC)ccc1Cl 20490752 BCINSDNDWSMMBH-UHFFFAOYSA-N 363.797 3.786 0 40 FHAB Cc1cccc(NC(=O)COC(=O)c2ccccc2Br)c1C 1993406 VADLFCMRGXQBEW-UHFFFAOYSA-N 362.223 3.861 0 40 FHAB C[C@@H](NC(=O)CSc1nc(C2CC2)nn1-c1ccccc1)c1ccco1 10028941 UXGQOLKZBLTWAY-CYBMUJFWSA-N 368.462 3.707 0 40 FHAB CCOc1ccc(-c2cc(C(=O)NCc3ccc(OC)cc3)no2)cc1 27581249 SWDNXWVFNFWSPN-UHFFFAOYSA-N 352.390 3.679 0 40 FHAB CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)CSc1ccccc1 58153042 WKJJXDFACADRPN-OAHLLOKOSA-N 364.511 3.685 0 40 FHAB Cc1nc2ccccc2nc1NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 58358176 PVPMUYXQSLTOHS-IBGZPJMESA-N 362.433 3.668 0 40 FHAB Cc1c(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cnn1C 10700235 WZZPQONJUOBZMJ-LJQANCHMSA-N 358.445 3.772 0 40 FHAB O=C(NCc1cn2ccsc2n1)C1c2ccccc2Oc2ccccc21 12655024 YRUKZHQCHACJLA-UHFFFAOYSA-N 361.426 3.950 0 40 FHAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2)C1 11001884 CUHDFSMVTGEKPI-JIIJFUIFSA-N 352.409 3.716 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(O)c2)N1Cc1ccco1 2409675 IZPFJRAVOZYUQZ-LJQANCHMSA-N 373.364 3.837 0 40 FHAB COc1ccc(-c2cnoc2-c2cc(OC)c(OC)c(OC)c2)cc1O 28886426 FIAQFUWVHGNSDW-UHFFFAOYSA-N 357.362 3.749 0 40 FHAB C[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)N1CCCCC1 28869745 QHWGBJHZJXQWJP-NSHDSACASA-N 350.875 3.618 0 40 FHAB Cc1cccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 12750436 BHQHHHYWBPOKJK-UHFFFAOYSA-N 365.429 3.501 0 40 FHAB O=C(CCn1cnc2sccc2c1=O)Nc1cc(Cl)cc(Cl)c1 12821373 JGIAJFFZBSDTDZ-UHFFFAOYSA-N 368.245 3.794 0 40 FHAB Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1cccs1 12976973 LPMDTZXFWRKMQJ-UHFFFAOYSA-N 367.268 3.578 0 40 FHAB CCc1cccc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)c1 13056879 FHQWEGKOEWVILD-AWEZNQCLSA-N 372.852 3.903 0 40 FHAB COc1ccccc1CCNC(=O)c1cc(C2CC2)nn1-c1ccccc1 8324630 XEEMAYMPMKHUTC-UHFFFAOYSA-N 361.445 3.731 0 40 FHAB Cc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCc3ccccc3C2)cc1 20121077 CBUXLBWPDJERIO-FQEVSTJZSA-N 361.493 3.884 0 40 FHAB N=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1nccs1 5023660 SPRYRDWPBODVOY-JTQLQIEISA-N 368.281 3.531 0 40 FHAB C[C@H](OC(=O)CCC(=O)NC1CCCCC1)C(=O)c1cccc(Cl)c1 6175349 GYVRYSQJAOYTTR-ZDUSSCGKSA-N 365.857 3.684 0 40 FHAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(C)n2-c2ccccc2)cc1 6109496 GYSCFWSRRDCDFZ-CYBMUJFWSA-N 353.447 3.948 0 40 FHAB O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)Nc1ccccc1 18174756 BDFUMCTWZZJYPK-UHFFFAOYSA-N 358.751 3.987 0 40 FHAB C/C=C/C=C/C(=O)OCC(=O)c1ccc(OC(=O)c2ccccc2)cc1 13856535 DPCFUWUEAVSFPU-XPQLPGEHSA-N 350.370 3.764 0 40 FHAB Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)N1CCCCC1 4450110 UQZAEQSMMDSMTE-UHFFFAOYSA-N 352.356 3.707 0 40 FHAB O=C1CCSc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2N1 14183852 JLAQQJMITMGSOO-UHFFFAOYSA-N 365.458 3.575 0 40 FHAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)N3CCO[C@@H](C)C3)cc2)o1 14235673 ITUXGQCSMKXSBH-HNNXBMFYSA-N 363.417 3.573 0 40 FHAB O=C(NC[C@@H]1CCCO1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 6589914 HMOXVFYTUWKDKJ-INIZCTEOSA-N 367.474 3.764 0 40 FHAB COCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 6627083 MYVWYZYUPJZPLK-KRWDZBQOSA-N 369.804 3.638 0 40 FHAB CCc1cc2c(N[C@H](CCSC)C(=O)O)nc(C(C)C)nc2s1 8704569 UOLMHCPXBOGLCF-GFCCVEGCSA-N 353.513 3.995 0 40 FHAB Cc1ccc2c(c1)sc1ncc(NC(=O)c3ccc(F)cc3)c(=O)n12 6721352 GBDCCCBYSBPPQN-UHFFFAOYSA-N 353.378 3.609 0 40 FHAB C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)N1CCCC1 4933605 RKKLHYSXPSKPJJ-LLVKDONJSA-N 351.522 3.766 0 40 FHAB O=S(=O)(Nc1ccc2c(c1)CCC2)c1ccc(OC(F)(F)F)cc1 7050605 GXRWFDMHBGDIEX-UHFFFAOYSA-N 357.353 3.875 0 40 FHAB CCOC(=O)c1ccc(S(=O)(=O)N[C@H](c2ccccc2)C(C)C)cc1 15363649 HUPHWDNPTIKROV-SFHVURJKSA-N 361.463 3.539 0 40 FHAB COc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2OC)cc1 20141657 AIQXYDXDQFSCMP-UHFFFAOYSA-N 353.374 3.708 0 40 FHAB CC(C)c1ccc(NC(=O)[C@@H](C)N(C)CC(=O)Nc2ccc(F)cc2)cc1 7267615 YPNYBGXEXXRZRX-OAHLLOKOSA-N 371.456 3.847 0 40 FHAB O=C(CSc1nc(-c2ccccc2)c[nH]1)Nc1cccc2nsnc12 19079425 NMWPKJHBMPZOTA-UHFFFAOYSA-N 367.459 3.812 0 40 FHAB CCCC1=C2C=CC=[N+]2CCN1CC(=O)c1ccc(Br)cc1 15952683 RDSLIZGWABQFCR-UHFFFAOYSA-N 360.275 3.612 0 40 FHAB O=C(NCCc1nc2ccccc2[nH]1)c1ccc(CN2CCCCC2)cc1 9338270 COMORWUNHVZBNS-UHFFFAOYSA-N 362.477 3.521 0 40 FHAB CCCn1nc(NS(=O)(=O)c2ccccc2)c2cc3ccccc3nc21 9329629 BOFHPPGXVQZTPU-UHFFFAOYSA-N 366.446 3.795 0 40 FHAB O=C(c1cnn(-c2cc(F)cc(F)c2)c1-n1cccc1)N1CCCCCC1 96231505 TWNOVRAYFFHUGY-UHFFFAOYSA-N 370.403 3.957 0 40 FHAB CC[C@@H](Oc1cccc(C)c1)C(=O)N(C)Cc1ccc(OC)c(OC)c1 20110989 ZEVYWGCFGOLWOG-GOSISDBHSA-N 357.450 3.828 0 40 FHAB O=C1SCCN1CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 9516639 GYHMSGPQBCXMKL-ZDUSSCGKSA-N 361.492 3.519 0 40 FHAB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccc2[nH]cnc2c1 9760867 GNPNBLIKIFWYMK-UHFFFAOYSA-N 354.797 3.595 0 40 FHAB C[C@H](Sc1ccccc1C(=O)NCc1cc2ccccc2o1)C(=O)O 95424328 APFHLHQRBQHEHL-LBPRGKRZSA-N 355.415 3.928 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3ccc4[nH]ccc4c3)n[nH]2)cc1OC 95477334 QRUFMYZWFUERGH-UHFFFAOYSA-N 362.389 3.828 0 40 FHAB CO[C@H]1CCC[C@@H]1OC(=O)Cc1c[nH]c2cccc(Br)c12 89409561 USAHPMXTHDZXFJ-KBPBESRZSA-N 352.228 3.584 0 40 FHAB Cc1cc(NC(=O)N2C[C@H](C)C[C@H]2c2ccccc2)ccc1-n1cnnn1 554380534 IOCVCPPTWIOSRT-KUHUBIRLSA-N 362.437 3.586 0 40 FHAB O=C(CCCc1nc2ccccc2o1)NCCOc1ccc(Cl)cc1 32044268 WNYGBSFXWVNQCE-UHFFFAOYSA-N 358.825 3.999 0 40 FHAB CC[C@@H](C)[C@@H](C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1 60389228 BYPQWHKIVCXQEF-FZKQIMNGSA-N 350.418 3.681 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)cc1C 408591698 JCVBJNMKONBIMU-UHFFFAOYSA-N 360.479 3.551 0 40 FHAB CCc1ccc(NC(=O)C[C@@H]2C(=O)N(C3CC3)c3nc4ccccc4n32)cc1 39964090 MEESUWLICAQETI-LJQANCHMSA-N 374.444 3.678 0 40 FHAB Fc1ccccc1Oc1nccnc1[C@@H]1CCCN(Cc2ncc[nH]2)C1 72362988 ZCAVKEPMLPUACD-CQSZACIVSA-N 353.401 3.511 0 40 FHAB C[C@@H](NC(=O)c1ncnc2ccsc12)c1nc(C(F)(F)F)cs1 1538451107 GRLLLRLYACQGPC-ZCFIWIBFSA-N 358.370 3.658 0 40 FHAB CCn1ccc(-c2cc(NCCCOc3cccc(C)c3)nc(C)n2)n1 72373319 QSKCLEONSJKMBQ-UHFFFAOYSA-N 351.454 3.858 0 40 FHAB Cc1cccc(CNC(=O)COC(=O)c2cc(Cl)ccc2Cl)c1 72333909 UOXNTNZQRWQTJI-UHFFFAOYSA-N 352.217 3.775 0 40 FHAB O=C(O)[C@@H]1COC2(CCCCC2)N1C(=O)c1ccc(Cl)cc1Cl 71979691 MTHQXKPFAUWXLU-ZDUSSCGKSA-N 358.221 3.579 0 40 FHAB O=C(O)c1sccc1CN1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 563278577 KVKYPGFYBMXZBY-UHFFFAOYSA-N 368.462 3.611 0 40 FHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc(OC)cc1 224623054 ZBHPALXVGIURNP-GOSISDBHSA-N 363.841 3.701 0 40 FHAB COc1ccc(NC(=S)NCc2ccccc2-n2ccnc2C)cc1 225449131 ZERGSWLFXGTEQA-UHFFFAOYSA-N 352.463 3.676 0 40 FHAB O=C(c1snnc1-c1ccc(Br)cc1)N1CCCCC1 225785042 DLQALZCQANDPPI-UHFFFAOYSA-N 352.257 3.594 0 40 FHAB COc1cccnc1NC(=S)NCCSc1ccc(Cl)cc1 225289134 GIILTRKQYSFKBG-UHFFFAOYSA-N 353.900 3.822 0 40 FHAB CCCSc1nnc(NC(=O)C2(c3ccccc3)CCOCC2)s1 225819155 PKQVIVDSGRTOLT-UHFFFAOYSA-N 363.508 3.727 0 40 FHAB Cc1ccc(N(C)C(=O)c2cnc3sc4c(n3c2=O)CCCC4)cc1C 223042526 QAPRXZIITTUETM-UHFFFAOYSA-N 367.474 3.528 0 40 FHAB CCOc1ccc(S(=O)(=O)N(C)c2cc(Cl)ccc2OC)cc1 224592151 TXUZCULQHOINQC-UHFFFAOYSA-N 355.843 3.572 0 40 FHAB O=C(NCc1ccccc1)c1snnc1-c1ccc(Br)cc1 225782335 QPMNNQRPHQUOIV-UHFFFAOYSA-N 374.263 3.898 0 40 FHAB CCCOCc1cc(C(=O)Nc2ccc(OC)cc2OC)ccc1OC 224415401 WEPGMOGJCQFHOT-UHFFFAOYSA-N 359.422 3.891 0 40 FHAB CCOc1ccccc1NC(=O)Cn1ccc(=O)c2c(C)cc(C)cc21 225755675 YNMPRKILRWKDND-UHFFFAOYSA-N 350.418 3.656 0 40 FHAB CCSc1nnc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)s1 223822063 LJBZRUSWULQQNL-LLVKDONJSA-N 363.508 3.935 0 40 FHAB Fc1ccc(-c2cnc3nccc([C@@H]4CCCN4c4ncccn4)n23)cc1 257217278 CYIFTICRJAITMU-INIZCTEOSA-N 360.396 3.667 0 40 FHAB CC1(c2ncc(Cc3ccc(F)cc3)o2)CCN(c2ncccn2)CC1 257261772 LISJXKHBDQWFAQ-UHFFFAOYSA-N 352.413 3.753 0 40 FHAB COc1ncccc1C(=O)N1CCC[C@H](Cc2ccc3ncccc3c2)C1 257330143 XNANBWVBGPFPLD-QGZVFWFLSA-N 361.445 3.733 0 40 FHAB O=C(Nc1cccc(OCCF)c1)c1cccc(Nc2ncccn2)c1 675387130 UYJANKXVVNKZSM-UHFFFAOYSA-N 352.369 3.821 0 40 FHAB O=C([C@H]1Cc2ccccc21)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 607897553 XMQPMNFRYPSXPP-IBGZPJMESA-N 358.445 3.518 0 40 FHAB O=C(Nc1cccc(C(=O)N2CCC[C@@H]2C2CCCC2)c1)[C@H]1CCCO1 56034707 JWYPWUBVWOYXIP-RTBURBONSA-N 356.466 3.599 0 40 FHAB CC(=O)NCCCSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 67944254 XCIOZIWCEFWWHG-UHFFFAOYSA-N 370.453 3.692 0 40 FHAB Cc1cc(C)c2[nH]c3nc(SCC(=O)Nc4ccccc4)nnc3c2c1 5488620 VXARBHRRADZDMM-UHFFFAOYSA-N 363.446 3.854 0 40 FHAB Cc1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2C)n1C1CCCCC1 5865589 LTJFIECYIXKMCR-CZUORRHYSA-N 350.532 3.879 0 40 FHAB O[C@@](c1ccccc1)(c1cccnc1)[C@](O)(c1ccccc1)c1cccnc1 13222506 SWNTUXVFZXJRMT-ZEQRLZLVSA-N 368.436 3.649 0 40 FHAB CS(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(Cl)c1Cl 14154078 PLVPNMFWEAAZLV-UHFFFAOYSA-N 359.234 3.617 0 40 FHAB CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 16601542 ZXSOQIDCLBNHMB-HNNXBMFYSA-N 360.479 3.714 0 40 FHAB COc1ccccc1[C@]1(O)CCC[C@H]2CN(Cc3cccc(O)c3)C[C@@H]21 19569230 LZHQUJSFDRRAFA-RBDMOPTHSA-N 353.462 3.521 0 40 FHAB COCCn1c(C)cc2cc(NC(=O)C[C@H](C)n3nc(C)cc3C)ccc21 19573120 PJJUEDDPZNXIOH-KRWDZBQOSA-N 368.481 3.999 0 40 FHAB COc1ccc(-c2n[nH]cc2-c2cncn2CCCN2CCCCC2)cc1 19719569 JFSIYBFLPHWRBL-UHFFFAOYSA-N 365.481 3.825 0 40 FHAB Cc1c(-c2cncn2CCN(C)C2CCCC2)cnn1Cc1ccccc1 19720038 FOFVIIDBZDRQAO-UHFFFAOYSA-N 363.509 3.978 0 40 FHAB CCCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccnc1 35288840 XPZDYOHPUREFAL-UHFFFAOYSA-N 371.441 3.620 0 40 FHAB Cc1nc(C(=O)N2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)cs1 42379908 MUSVFQAXMKBBGG-LLVKDONJSA-N 360.464 3.583 0 40 FHAB COc1cccc(N2CCN(C3CCN(Cc4cccs4)CC3)CC2)c1 252488299 IORYJSCGRHIWAZ-UHFFFAOYSA-N 371.550 3.543 0 40 FHAB CSc1nc(C)c(CCC(=O)N[C@@H]2CCCc3ccccc32)c(C)n1 6789271 UCNKTUMAHYBVHC-GOSISDBHSA-N 355.507 3.942 0 40 FHAB Clc1cnccc1OCC1CCN(Cc2nc3c(s2)CCC3)CC1 1889108785 LJRWDDGUYAGUHI-UHFFFAOYSA-N 363.914 3.971 0 40 FHAB CC(=O)Nc1ccc(NCC(=O)N[C@@H]2CCCC[C@@H]2C)c(C(F)(F)F)c1 36391574 HEJJYSQUGSPTSP-XHDPSFHLSA-N 371.403 3.771 0 40 FHAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC(Oc2cccnc2)C1 238874114 NPRZSQCRVZRAID-UHFFFAOYSA-N 369.808 3.602 0 40 FHAB Cc1cc(NC(=O)CSc2nc(-c3ccccc3Cl)ns2)no1 4167518 MYXAADYHIQFRKP-UHFFFAOYSA-N 366.855 3.886 0 40 FHAB CCOC(=O)c1oc2ccccc2c1NC(=O)COc1ccccc1OC 4162660 MJHCWGWIAVNKQV-UHFFFAOYSA-N 369.373 3.636 0 40 FHAB CCOC(=O)c1c(C)c(C(=O)NCCCc2ccccc2)c(C)n1CC 5054570 APMFWCPUCGLPQE-UHFFFAOYSA-N 356.466 3.664 0 40 FHAB Cc1ccccc1CSc1nc(=O)n(Cc2ccncc2)c2c1CCC2 5264344 PCZWMCDQOCFRBU-UHFFFAOYSA-N 363.486 3.776 0 40 FHAB COc1c(I)cc(N2C=NC=CC2)cc1C(C)(C)C 1857778618 BBKAUNOKZBXKDH-UHFFFAOYSA-N 370.234 3.959 0 40 FHAB O=C(COc1ccc(Cl)cc1)NCC1(c2ccccc2)CCOCC1 16968799 IFXZISOSSJPPJV-UHFFFAOYSA-N 359.853 3.583 0 40 FHAB CCS(=O)(=O)N1CCCc2cc(NC(=O)CCC3CCCC3)ccc21 17316355 SBJJHEVTEVKQSG-UHFFFAOYSA-N 364.511 3.698 0 40 FHAB Cc1ccccc1-c1ccc(N2CCC(C(=O)Nc3ccccn3)CC2)nn1 22493654 AQLKLCLHIBZUOI-UHFFFAOYSA-N 373.460 3.702 0 40 FHAB Cn1c(=O)c2sccc2n2c(SCc3cccc(Cl)c3)nnc12 35529195 CRYQYYPIKQBWQP-UHFFFAOYSA-N 362.867 3.588 0 40 FHAB Cn1cc(-c2ncccc2CNC(=O)NCc2cccc3ccccc23)cn1 575618893 QMPUYIMVRPNPCF-UHFFFAOYSA-N 371.444 3.635 0 40 FHAB Cc1cccc(NC(=O)Cn2cc(C=O)c3cc(Br)ccc32)n1 6391424 YYFXDMZTEXUDEV-UHFFFAOYSA-N 372.222 3.558 0 40 FHAB COc1ccc(CCNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)cc1 28936030 HHKRDKWIYSFUAL-UHFFFAOYSA-N 355.825 3.711 0 40 FHAB O=C(CCc1nc(-c2cccs2)no1)N(Cc1cccs1)C1CC1 30302680 RHUPPNRFKFKVAY-UHFFFAOYSA-N 359.476 3.983 0 40 FHAB C[C@H](Sc1nnc(-c2cc3ccccc3o2)n1C)C(=O)NC1CCCC1 20169898 OYMIEGOWVOIPCM-LBPRGKRZSA-N 370.478 3.768 0 40 FHAB CC(=O)N[C@@H]1C(=O)N(Cc2ccccc2OC(C)C)c2ccc(C)cc21 100485435 GFVLUGFWSCFVPN-FQEVSTJZSA-N 352.434 3.506 0 40 FHAB Cc1ccc(Cn2cccc/c2=N\C(=O)Cc2c[nH]c3ccccc23)cc1 29386055 FVHLMXLRQXFRAV-YYDJUVGSSA-N 355.441 3.996 0 40 FHAB COc1ccc2ccccc2c1CNC(=O)c1ccc([S@](C)=O)cc1 29306044 OLIFIZWXMWLGQG-RUZDIDTESA-N 353.443 3.516 0 40 FHAB CCOc1ccccc1-c1nn2c(Cc3ccc(OC)cc3)nnc2s1 8392910 HWKOOOXLZWFQDB-UHFFFAOYSA-N 366.446 3.851 0 40 FHAB COc1ccc2ccccc2c1[C@H]1NC(=S)NC(C)=C1C(=O)OC(C)C 844848 HWOZBGHXKCABLU-SFHVURJKSA-N 370.474 3.593 0 40 FHAB COc1ccc(-c2csc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)n2)cc1 1003144 HMYHUDKAKYRGNH-UONOGXRCSA-N 360.435 3.648 0 40 FHAB Cc1ccc(NC(=O)CN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 1336590 JOQGFSCCNCLRAG-UHFFFAOYSA-N 354.425 3.668 0 40 FHAB Cc1cccc(C(=O)N[C@H](C(=O)Nc2nc3ccccc3s2)C(C)C)c1 2661352 QTLWGOLUKDOEKP-KRWDZBQOSA-N 367.474 3.998 0 40 FHAB COc1ccc(-c2noc([C@H](C)NC(=O)C3CCCCC3)n2)cc1OC 4998142 QIKIYEVWNXXUEM-LBPRGKRZSA-N 359.426 3.511 0 40 FHAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 6542472 QCXLMYBSEVMQTL-CYBMUJFWSA-N 359.278 3.738 0 40 FHAB Cc1cc(/C=N\NC(=O)c2cccs2)c(C)n1-c1ccccc1C(=O)O 6962512 CNFYGGABOLHDPK-JAIQZWGSSA-N 367.430 3.618 0 40 FHAB CCCn1nnnc1NCc1ccccc1OCc1ccc(Cl)cc1 7263463 YFGNFAZXRQQPPF-UHFFFAOYSA-N 357.845 3.928 0 40 FHAB COC(=O)c1c(NC(=O)/C=C/C(=O)O)sc(C)c1-c1ccc(C)c(C)c1 2758362 DARDLSOHWBBFCG-BQYQJAHWSA-N 373.430 3.706 0 40 FHAB CC(=O)N(C)c1nc(CSc2nnc(C)n2-c2ccc(C)cc2)cs1 52888697 ITINTTAVABRHNU-UHFFFAOYSA-N 373.507 3.616 0 40 FHAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nn1cnc2ccccc21 33222509 OLUIQKPHZNRCOC-JTQLQIEISA-N 350.205 3.881 0 40 FHAB O=C(c1ccccc1)c1ccccc1NC(=O)[C@H]1COc2ccccc2O1 2708044 RCAIKGYNACNYSI-HXUWFJFHSA-N 359.381 3.696 0 40 FHAB Cc1noc(CSc2ccccc2C(=O)Nc2nnc(C3CC3)s2)n1 22884260 GMXNLSOWHYTPPJ-UHFFFAOYSA-N 373.463 3.652 0 40 FHAB O=C(Cn1nc(C(F)(F)F)c2c1CCC2)Nc1ccc(F)c(Cl)c1 869810 VUNJFOJEZCYTRX-UHFFFAOYSA-N 361.726 3.822 0 40 FHAB CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCC(C)CC2)cc1 823610 QPCXGFATAHFEOE-GFEPPQMASA-N 372.465 3.835 0 40 FHAB Cc1ccc(-n2cc(C(=O)NCc3ccnn3C)c(-c3ccccc3)n2)cc1 47457498 ODHJMJGZMDOWJT-UHFFFAOYSA-N 371.444 3.511 0 40 FHAB Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 104739803 YIWMSWDMMHRENB-QSOKESPWSA-N 368.525 3.767 0 40 FHAB CCCN(CCC)C(=O)c1ccc(NC(=O)NCc2ccccn2)cc1 47599016 YTVCRTWBVVDENP-UHFFFAOYSA-N 354.454 3.666 0 40 FHAB CCN(Cc1cccs1)C(=O)CSc1nncn1-c1ccccc1C 12543416 BKRUIKCMGKQWIL-UHFFFAOYSA-N 372.519 3.778 0 40 FHAB C[C@@H]1COc2ccccc2N1S(=O)(=O)c1cc(Cl)ccc1Cl 1389044 WBKXXFSSXNQMPW-SNVBAGLBSA-N 358.246 3.970 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)Nc2nc3cc4c(cc3s2)OCCO4)c1 24963645 UZVYKFGMYKTRPZ-GFCCVEGCSA-N 370.430 3.782 0 40 FHAB O=C(C1CC1)N1CCC(C(=O)N2CCC[C@H]2c2ccccc2Cl)CC1 55778446 RQIORTQWDZQNEZ-SFHVURJKSA-N 360.885 3.652 0 40 FHAB O=C(Nc1ccc(Oc2cccc(F)c2)cc1)[C@@H]1CC(=O)N(C2CC2)C1 55949769 HIOJZBOOSLXURA-CYBMUJFWSA-N 354.381 3.567 0 40 FHAB CC(C)(C)c1ccc(OCC(=O)NCc2ccccc2-n2ccnc2)cc1 22526082 YKJBELGEGCAVLY-UHFFFAOYSA-N 363.461 3.865 0 40 FHAB Cc1ccc(-c2ccnc3nc(NCCc4ccccc4)[nH]c(=O)c23)cc1 57531096 PYBPOCZYCVCIMF-UHFFFAOYSA-N 356.429 3.948 0 40 FHAB Cc1nnc([C@H](C)Sc2nnc(S[C@@H](C)c3nnc(C)o3)s2)o1 48186804 VYHIPIOWDMJGGL-WDSKDSINSA-N 370.485 3.628 0 40 FHAB C[C@H](NC(=O)CCC(=O)c1cccs1)c1nc(-c2ccc(F)cc2)no1 58193386 MBGCJSBEKRYUCO-NSHDSACASA-N 373.409 3.778 0 40 FHAB Cc1cc(C)nc(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)n1 21596279 MADYYIHWPOHRGE-UHFFFAOYSA-N 358.511 3.513 0 40 FHAB NC(=O)N[C@H](CC(=O)Nc1ccccc1OC1CCCC1)c1cccs1 58217683 MGQMMEBLUIJCAH-OAHLLOKOSA-N 373.478 3.808 0 40 FHAB O=C(Cc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2O)CC1 3322498 KUXLLKISTMBQKQ-UHFFFAOYSA-N 365.260 3.590 0 40 FHAB Cc1ccc(-c2cc(C(F)(F)F)nc(N(C)Cc3ccnn3C)n2)cc1 36613485 FLDUTNSRJLGHJU-UHFFFAOYSA-N 361.371 3.841 0 40 FHAB CC[C@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3ccc(C)cc3)N2C1=O 2487190 QUDMIHMBCSZIBD-NVXWUHKLSA-N 372.490 3.985 0 40 FHAB COc1ccccc1Oc1coc2cc(OC(=O)C3CC3)ccc2c1=O 2441413 AVFPDCVCSRPGHD-UHFFFAOYSA-N 352.342 3.909 0 40 FHAB biogenic COC(=O)C[C@H](NC(=O)c1csc(-c2ccccc2)n1)c1ccccc1 12877810 DOYGGOSCWLHTDD-INIZCTEOSA-N 366.442 3.844 0 40 FHAB CCCN(CC(=O)Nc1ccccc1OC)C(=O)/C=C/c1ccc(F)cc1 3448832 OVDDLTVOMSWLOW-JLHYYAGUSA-N 370.424 3.725 0 40 FHAB O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@H]1CCCc2ccccc21 3441453 UVNDUSRIFSFFTC-YJBOKZPZSA-N 352.459 3.683 0 40 FHAB CCCCN(C)C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 48428241 SYMALNLDBWIZFK-UHFFFAOYSA-N 359.392 3.806 0 40 FHAB CCn1c(SCC(=O)NCC2CCCCC2)nnc1-c1cccs1 3596453 LQOKPZHBEKMEBK-UHFFFAOYSA-N 364.540 3.815 0 40 FHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(C)c2ccccc2)cc1 12926202 FMGVJSJSFNZIJB-UHFFFAOYSA-N 369.424 3.971 0 40 FHAB O=C1S[C@H](Cc2ccc3c(c2)OCO3)C(=O)N1c1cccc(Cl)c1 409146568 TXLUVOZWDRZVRS-OAHLLOKOSA-N 361.806 3.880 0 40 FHAB CCCCOc1ccc(C(=O)NC(=S)NCCC)cc1Br 8564123 PUAHGMFEPANVNW-UHFFFAOYSA-N 373.316 3.642 0 40 FHAB COc1ccc(CCNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 20488456 YQUQBLWCFQLVEO-SFHVURJKSA-N 366.505 3.900 0 40 FHAB CC(=O)Nc1nc2ccc(C(=O)Nc3ccc4[nH]ccc4c3)cc2s1 13733900 LMOLBIBWDKZMNC-UHFFFAOYSA-N 350.403 3.988 0 40 FHAB O=S(=O)(Nc1ccccc1OC(F)F)c1ccc2c(c1)CCCC2 5127099 NBTXJCVMAFPAGX-UHFFFAOYSA-N 353.390 3.968 0 40 FHAB Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@H](C(F)(F)F)C2)no1 14083104 VCVQOUHTBKKBJT-GDBMZVCRSA-N 367.371 3.937 0 40 FHAB O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cc(Cl)sc1Cl 14093804 NHUDAEPOYOROGI-UHFFFAOYSA-N 366.247 3.627 0 40 FHAB COc1ccc(CCNC(=O)c2ccc(Br)cc2F)cc1 8709203 IRUMLKKPBPVGFD-UHFFFAOYSA-N 352.203 3.569 0 40 FHAB Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccc(CN(C)C)cc1 14168981 SAZQPLIJVOAASB-UHFFFAOYSA-N 366.490 3.505 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 14112297 ZVHWGSUHTRQQBF-ZFWWWQNUSA-N 370.419 3.511 0 40 FHAB CCN(CC)C1=NC(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S1 14190634 FJAVEDKXWAENGF-NSHDSACASA-N 374.293 3.662 0 40 FHAB O=C(c1cc(-c2ccncc2)nc2ccc(Br)cc12)N1CCC1 65626844 BFJLJESOYZNQJY-UHFFFAOYSA-N 368.234 3.905 0 40 FHAB CCOc1ccc(C(C)=O)cc1CSc1nc(C)c(C)c(C)c1C(N)=O 14254474 MSDFEDZRUASCJY-UHFFFAOYSA-N 372.490 3.999 0 40 FHAB Cc1ccsc1C(=O)NCc1nnc2c(C(F)(F)F)cc(Cl)cn12 5428802 PGFCFQGVWHOZOF-UHFFFAOYSA-N 374.775 3.701 0 40 FHAB Cc1cc(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)n(C)n1 6527851 QSAYBVWZEAGGTE-UHFFFAOYSA-N 356.495 3.905 0 40 FHAB CCOC(=O)c1cc(NC/C=C/c2ccccc2)ccc1N1CCOCC1 4705470 XOKSWVFVGMXWQE-RMKNXTFCSA-N 366.461 3.825 0 40 FHAB CCOC(=O)[C@@]1(C(F)(F)F)NC(C(F)(F)F)=Nc2ccc(Cl)cc21 4786001 GBAGBYDRFRJHIZ-NSHDSACASA-N 374.668 3.856 0 40 FHAB CCN(CC(=O)NCc1cccs1)Cc1ccccc1Br 15295430 OCELUGMWNPLSKD-UHFFFAOYSA-N 367.312 3.649 0 40 FHAB Cc1ccc(NC(=O)C2CC2)cc1S(=O)(=O)Nc1cccc(Cl)c1 5938361 OHMGFOUUMPCNJF-UHFFFAOYSA-N 364.854 3.798 0 40 FHAB CC(=O)c1cccc(NC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)c1 7968761 DPUQADNJLRBOGW-UHFFFAOYSA-N 363.417 3.628 0 40 FHAB O=C(CCc1cccs1)Nc1ccc2nc(N3CCOCC3)sc2c1 7988711 YLGRIANCBFKVRF-UHFFFAOYSA-N 373.503 3.766 0 40 FHAB O=C(COc1ccc(Cl)cc1)Nc1ccc(OC[C@@H]2CCCO2)cc1 8160516 LEPITTBHLNNNEP-SFHVURJKSA-N 361.825 3.915 0 40 FHAB COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccc(C)cc1 8132517 FXRPIOZPMPTHLN-UHFFFAOYSA-N 370.268 3.875 0 40 FHAB Cc1ccc2[nH]cc(C(=O)CN3CCN(C/C=C/c4ccccc4)CC3)c2c1 19371278 MOYFVCUTCVPTRI-VMPITWQZSA-N 373.500 3.990 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cccc(C(=O)NC2CC2)c1 8231783 GUDUSNFOXNQUCM-UHFFFAOYSA-N 374.444 3.634 0 40 FHAB Cc1cc(N2CCCCC2)nc2sc3c(SCC(=O)O)ncnc3c12 71283435 MFHDLYUNSXLRIU-UHFFFAOYSA-N 374.491 3.715 0 40 FHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1COc2ccccc2O1 9512175 NLTGJZPXIZBAIC-MLGOLLRUSA-N 354.431 3.656 0 40 FHAB CC1=Nc2c(c(O)nn2C2CCOCC2)[C@H](c2ccc(C(=O)O)cc2)S1 95477142 DGLMQRIHKNGYDW-HNNXBMFYSA-N 373.434 3.525 0 40 FHAB CC(C)CS(=O)(=O)CCC(=O)N(CC(C)(C)C)c1ccc(F)cc1 89856427 GCBZXHQDSRDJBQ-UHFFFAOYSA-N 357.491 3.666 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=O)/C=C/c2nc3ccccc3o2)c1 60673133 PASYXJMRVXOVAO-CMDGGOBGSA-N 356.765 3.920 0 40 FHAB CC[C@@H](C(=O)NCCc1c(C)n(C)c2ccccc12)n1nc(C)cc1C 36752578 NCJPABGBMKHJIJ-IBGZPJMESA-N 352.482 3.610 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CCCn1cccc1 524732232 QTEFPQVZZPWAHI-LJQANCHMSA-N 351.450 3.952 0 40 FHAB biogenic CCc1ccccc1[C@H](N)CNC(=O)N1[C@H]2CC[C@H]1CC1(C2)CC1(F)F 529338590 MAMVGQKLHFMOHT-YQQAZPJKSA-N 363.452 3.611 0 40 FHAB CCc1ccc([C@@H]2CCCCCN2Cc2cc(=O)n3ccccc3n2)o1 532571990 HGDQQVGJQAXFMF-SFHVURJKSA-N 351.450 3.967 0 40 FHAB COc1ccc2c(c1)OC1(CCN(Cc3ccccc3F)CC1)CC2=O 39227041 IKYXXQIYFRCFCV-UHFFFAOYSA-N 355.409 3.834 0 40 FHAB Cn1ccc2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)ccc21 71282902 JUMWUKKWECNHOG-VMPITWQZSA-N 359.473 3.650 0 40 FHAB O=C(NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1)c1ccsc1 44005281 LQYSEZYKUBPPTQ-UHFFFAOYSA-N 361.442 3.561 0 40 FHAB CCOc1ccc(NC(=O)CSCc2cc(=O)c3ccccc3[nH]2)cc1 41077350 SZIZMWBGKQKCTF-UHFFFAOYSA-N 368.458 3.799 0 40 FHAB CCCOCc1cc(C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC 224709921 PMOAQEJQNJAWAT-UHFFFAOYSA-N 371.433 3.671 0 40 FHAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 222864531 SPNVKPHVBFSUCO-MRXNPFEDSA-N 370.468 3.700 0 40 FHAB CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccco1 223365327 QPRKPGZOEDTRIO-ROUUACIJSA-N 352.463 3.669 0 40 FHAB COc1ccc(CN2CC[C@H](c3nnc(-c4ccccc4F)o3)C2)cc1 49170512 SAXXDPPLEAONND-HNNXBMFYSA-N 353.397 3.874 0 40 FHAB biogenic,in-vitro CC(C)c1ccc(OCC(=O)Nc2ccc3c(c2)N(C)C(=O)[C@H](C)O3)cc1 41014703 HMSXMYLAPTZAGI-AWEZNQCLSA-N 368.433 3.571 0 40 FHAB CCOc1cccc(N(C)S(=O)(=O)c2ccc(Br)cc2)c1 224738368 IVFWHFOCRVBVRR-UHFFFAOYSA-N 370.268 3.673 0 40 FHAB CCCO[C@@](C)(CCC)C(=O)Nc1cnc(OCCOCC)c(C)c1 225906090 KUMZHIBKZKNUAN-IBGZPJMESA-N 352.475 3.729 0 40 FHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1C 225719469 JBHXTPYIVRGSRO-NRFANRHFSA-N 366.505 3.870 0 40 FHAB COc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1OC 192713475 SCTVOXFATXQUAV-UHFFFAOYSA-N 362.234 3.811 0 40 FHAB Cc1ccc(-c2noc(CNC(=O)CSCc3ccccc3F)n2)cc1 95482467 DMPYIIKWPCTLOL-UHFFFAOYSA-N 371.437 3.734 0 40 FHAB Cn1nc(C(=O)NCCCCCc2nc3ccccc3[nH]2)c2ccccc21 96116952 GGYBHULLHLEVPM-UHFFFAOYSA-N 361.449 3.592 0 40 FHAB COc1cccc(N[C@H]2COC3(CCN(Cc4csc(C)n4)CC3)C2)c1 96221405 OVUUCVRPUTZRKC-QGZVFWFLSA-N 373.522 3.696 0 40 FHAB COc1cccc(CN2Cc3cccn3[C@@H](COCc3ccccn3)C2)c1 247922759 YGEZRDGYKJVVPS-OAQYLSRUSA-N 363.461 3.665 0 40 FHAB COc1cc(-c2cc(-c3cc(OC)c(O)cc3Cl)nn2C)ccc1O 257254822 KEVBWVKGLVIGLE-UHFFFAOYSA-N 360.797 3.836 0 40 FHAB CCOCC(=O)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257247040 IXCXYMLFLNIDTA-OAHLLOKOSA-N 362.857 3.661 0 40 FHAB Cc1nc(-c2ccc(C(=O)O)cc2)cc([C@@H]2CCCN2C(=O)C(C)(C)C)n1 257259792 LAAUHNLOZIINAH-SFHVURJKSA-N 367.449 3.860 0 40 FHAB O=C(/C=C\c1cccs1)N1CC[C@H](c2noc(-c3ccsc3)n2)C1 253475061 NRUWSPCZRJSOFE-MVZIDQBPSA-N 357.460 3.889 0 40 FHAB CON1CCC(NC(=O)[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 616388967 FAJRUCHBORXHGS-LJQANCHMSA-N 358.869 3.614 0 40 FHAB CC(C)(C)[C@H]1CC[C@H](N2CCOC[C@](O)(COc3ccccc3)C2)CC1 585284948 BDJMGZJZTDKMJL-IPJJNNNSSA-N 361.526 3.734 0 40 FHAB O=C(COC(=O)/C=C/c1cccc(C(F)(F)F)c1)NCc1ccccc1 3230056 LBUYHLIMZDHCAW-MDZDMXLPSA-N 363.335 3.578 0 40 FHAB aggregator CCCCNC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 5291257 QFSAQSGSZUHQHK-UHFFFAOYSA-N 354.450 3.577 0 40 FHAB CC(C)c1cc(C(=O)N2CCCCC[C@H]2c2nn(C)cc2Cl)no1 12119615 ZWILSQREIVSFEQ-AWEZNQCLSA-N 350.850 3.942 0 40 FHAB COc1ccc([C@@H]2CN(Cc3ccccc3OC)C[C@H]2c2cc[nH]n2)cc1 12128505 RTMGOOZICDAMME-VQTJNVASSA-N 363.461 3.810 0 40 FHAB CCOc1ccc(CNC(=S)Nc2ccc3c(c2)OCO3)cc1OCC 13754906 QXUSAVVGSMBQPD-UHFFFAOYSA-N 374.462 3.699 0 40 FHAB COc1cc(Br)c(CCNC(=O)c2cccs2)cc1OC 16965466 CMQDDDPGIXPQFG-UHFFFAOYSA-N 370.268 3.500 0 40 FHAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1ccccc1C(F)(F)F 18700402 BJNNBGNFGCZWSD-UHFFFAOYSA-N 357.353 3.670 0 40 FHAB Cn1ccnc1-c1nc(NC[C@]2(C)CCCO2)ncc1-c1cccc(F)c1 19461266 QVUYBKJFBRMWRF-FQEVSTJZSA-N 367.428 3.664 0 40 FHAB COc1ccccc1CN1CCC[C@@H]1c1nnc(-c2scnc2C)o1 19563053 ZCQJVPKFDYLUJL-CQSZACIVSA-N 356.451 3.847 0 40 FHAB C[C@H]1CN(C(=O)c2cc(C(F)(F)F)n[nH]2)CCc2ccc(Cl)cc21 652786471 NHCIWOAHTAMHRO-VIFPVBQESA-N 357.763 3.884 0 40 FHAB CCCc1nnc(-c2cc3ccccc3n2CC(=O)N2CCC(C)CC2)o1 15881425 BPZAUNPOQNBRQK-UHFFFAOYSA-N 366.465 3.902 0 40 FHAB COc1ccccc1OCCC(=O)Nc1cccc(Br)c1 9376043 SZJSFBINFASGNV-UHFFFAOYSA-N 350.212 3.865 0 40 FHAB CC(=O)Nc1ccc(SCc2nc3c(oc4ccccc43)c(=O)[nH]2)cc1 7049787 WBUIRGVWDNNGPC-UHFFFAOYSA-N 365.414 3.920 0 40 FHAB CN(c1ccccn1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 1889149043 JUUWUSAKDRFCNJ-UHFFFAOYSA-N 374.282 3.585 0 40 FHAB CN(C)[C@@H](CNC(=O)c1cc(F)ccc1Br)c1ccsc1 25331125 KXEVCEHSNMALQT-AWEZNQCLSA-N 371.275 3.682 0 40 FHAB CC(=O)N(C)Cc1nc2ccccc2n1CCOc1ccccc1Cl 4943205 GDUYEJKZWIFZBY-UHFFFAOYSA-N 357.841 3.747 0 40 FHAB COCCn1cc(NC(=O)NCCc2ccccc2OC)c2ccccc21 5266420 VGFYDCBXRJCKCD-UHFFFAOYSA-N 367.449 3.661 0 40 FHAB O=C(Nc1cc(F)ccc1F)c1cccn(Cc2ccc(F)cc2)c1=O 5268988 TVTNNJNCMBGVAZ-UHFFFAOYSA-N 358.319 3.566 0 40 FHAB CCCN1C(=O)CCc2cc(NC(=O)COc3cccc(C)c3)ccc21 9107278 PUZSMTAJQJSBTR-UHFFFAOYSA-N 352.434 3.702 0 40 FHAB COc1ccc(CC(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1C 13971876 KMDWFJPATJAJNW-UHFFFAOYSA-N 370.430 3.566 0 40 FHAB CCc1nc2sc([C@@H](c3ccccc3)N3CCC(C)CC3)c(O)n2n1 22853262 WONUTZWVPGMMJG-MRXNPFEDSA-N 356.495 3.880 0 40 FHAB O=C(C1CCN(c2ccnc3ccccc23)CC1)N1CCC(F)(F)CC1 1889133892 FEPFONLLFABOPF-UHFFFAOYSA-N 359.420 3.709 0 40 FHAB CC1(C)CC(NC(=O)N2CCC(Cc3ccccc3)CC2)CC(C)(C)N1 26180695 NWTNSYRJMARODI-UHFFFAOYSA-N 357.542 3.960 0 40 FHAB Cc1cccc2c(=O)n(CCCC(=O)Nc3ccc(Cl)cc3F)cnc12 10409514 ACLFIRDGKRBAMQ-UHFFFAOYSA-N 373.815 3.916 0 40 FHAB CN(CCOc1ccc(F)cc1)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 40001070 CBESYCIDBDUODD-HXUWFJFHSA-N 373.424 3.535 0 40 FHAB O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(OC2CCCC2)cc1 40132851 OZYQQNKDENTCHF-UHFFFAOYSA-N 365.495 3.694 0 40 FHAB CCOC(=O)c1c(NC(=O)c2c(C)noc2C)sc2c1CC[C@@H](C)C2 20168388 BPXYCCHKVRXPPX-SECBINFHSA-N 362.451 3.907 0 40 FHAB O=C(c1ccncc1)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 31938112 IQMAFMZMIXKFBA-UHFFFAOYSA-N 363.486 3.768 0 40 FHAB Cn1c(C(=O)NCc2cccnc2OC2CCCC2)cc(Cl)c1Cl 69350999 CTZSKOJYATWCEM-UHFFFAOYSA-N 368.264 3.978 0 40 FHAB COc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccnc2)CC3)cc1 11695793 PHAGFBWCERGUJC-UHFFFAOYSA-N 373.412 3.545 0 40 FHAB CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)[C@H]2C[C@H]2C)nc1C 32736055 FCJXWJZBLGINOG-DOMZBBRYSA-N 358.463 3.817 0 40 FHAB COc1ccc(-c2nc(S)nc(N)c2-c2nc3ccccc3n2C)cc1 102210245 BZAWGZAQQKQDOZ-UHFFFAOYSA-N 363.446 3.577 0 40 FHAB COc1ccccc1[C@H]1SCCN1S(=O)(=O)c1ccc(C)c(C)c1 6033424 IEHZIMDMCOKHLY-GOSISDBHSA-N 363.504 3.748 0 40 FHAB O=C(COc1cccc2cccnc12)NCCCSc1ccccc1 8315433 AZSVOLOCAWPYBD-UHFFFAOYSA-N 352.459 3.912 0 40 FHAB O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1cccnc1S 41400051 OKGDXRYSUIFVEG-INIZCTEOSA-N 361.898 3.591 0 40 FHAB CSc1ccc(NC(=O)c2ccc(CNC(=O)NC(C)C)cc2)cc1 22068207 GWVFBYULLPDJCM-UHFFFAOYSA-N 357.479 3.868 0 40 FHAB O=C(NCc1ccccn1)c1cc(C2CC2)nc2onc(-c3ccco3)c12 47055220 FPCXVTRXDCIYET-UHFFFAOYSA-N 360.373 3.685 0 40 FHAB O=C(Nc1ccccc1O)/C(=C\c1cccs1)NC(=O)c1ccccc1 651343 KHSHJBHGZLIVAD-GHRIWEEISA-N 364.426 3.863 0 40 FHAB COc1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c(OC)c1 9063568 KKDJLNFOZAWCOG-UHFFFAOYSA-N 372.440 3.694 0 40 FHAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CNC[C@H]1Cc2ccccc2O1 75572648 KPPPELVEAATHGW-QGZVFWFLSA-N 369.415 3.861 0 40 FHAB COCc1cccc(C(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)c1 23386158 UZBWJIDGCICHOK-SFHVURJKSA-N 355.434 3.828 0 40 FHAB C[C@@H]1CCCC[C@@H]1N1CCN(C(=O)COc2ccc3ccccc3c2)CC1 20569873 JJPMFBPUUZHTSC-GCJKJVERSA-N 366.505 3.942 0 40 FHAB C[C@H](Sc1nncn1-c1ccccc1F)C(=O)N(C)Cc1ccccc1 12527409 ABBALSZRNCHFBX-AWEZNQCLSA-N 370.453 3.546 0 40 FHAB CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1cccs1 24318061 HWIWGSRDHAGQBE-UGSOOPFHSA-N 360.454 3.754 0 40 FHAB CCN1C(=O)[C@](O)(CC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 1320421 FWJPPEYTOXVETL-SFHVURJKSA-N 364.228 3.821 0 40 FHAB CCc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccc(OC)cc1)C3 55393791 AJOGJYWYTGRSLK-UHFFFAOYSA-N 351.402 3.716 0 40 FHAB biogenic O=C(CCCc1nc2ccccc2s1)Nc1ccccc1-n1cncn1 25000120 LRBZNVYOVUBXLY-UHFFFAOYSA-N 363.446 3.838 0 40 FHAB CCCN(CC(F)F)C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 78483037 JLNZKDSDBIAFJY-UHFFFAOYSA-N 354.378 3.656 0 40 FHAB C[C@H](SCCOc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 25217982 GRGGRTXVOWFKBZ-AWEZNQCLSA-N 359.447 3.597 0 40 FHAB C[C@H](NC(=O)CSc1nnc(NCc2ccccc2)s1)c1ccco1 10092324 QSWPCNWDGMLLCG-LBPRGKRZSA-N 374.491 3.713 0 40 FHAB C[C@@H](OC(=O)c1ccccc1)C(=O)N(C)Cc1nc2ccccc2s1 22564068 HXTPCRHHEVVLQA-CYBMUJFWSA-N 354.431 3.500 0 40 FHAB CCOc1ccc(-c2nonc2NC(=O)c2ccccc2OC)cc1C 27740926 WKQNZQZNODPCIN-UHFFFAOYSA-N 353.378 3.705 0 40 FHAB C[C@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(Oc2cnccn2)cc1 58356377 XPRUJONMSZWYDR-YJBOKZPZSA-N 370.453 3.986 0 40 FHAB O=C(/C=C/c1ccccc1)NC(=S)Nc1cc(C(=O)O)ccc1Cl 2215281 XINQNLRMXUWRAP-RMKNXTFCSA-N 360.822 3.565 0 40 FHAB O=C(Nc1ccc2ccccc2c1)[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 28404231 ROCSWHKXUYBLCK-SFHVURJKSA-N 362.404 3.966 0 40 FHAB Cc1cc2nnc(S[C@H](C)c3nc(-c4ccccc4)no3)n2c(C)n1 48353843 RHEHAPNKABCMTC-LLVKDONJSA-N 352.423 3.644 0 40 FHAB COc1cc(Cl)c(NC(=O)c2cccc(N3CCCC3=O)c2)cc1OC 11067506 UFIYNCBPLRJUOR-UHFFFAOYSA-N 374.824 3.736 0 40 FHAB CC(C)CN(Cc1nnnn1-c1ccc(C(F)(F)F)cc1)CC(C)C 59421178 OCFYRVIOLVURJY-UHFFFAOYSA-N 355.408 3.795 0 40 FHAB CC(C)c1ccc(CNC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc1 408707036 INHMLDVGHVXISU-UHFFFAOYSA-N 352.478 3.866 0 40 FHAB CC[C@H](NC(=O)c1ccc([S@](C)=O)cc1)c1nc(-c2ccccc2)c[nH]1 69419127 XYBGMPLBSLNJCV-MRDQGFSESA-N 367.474 3.695 0 40 FHAB CCc1cc2c(N3CCC[C@H]3c3nnc4n3CCCCC4)ncnc2s1 12934689 DNJLPKZTUVYQAV-HNNXBMFYSA-N 368.510 3.913 0 40 FHAB CC(C)OCCCNC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 12999574 YHYSMDSIYWLGAW-HXUWFJFHSA-N 367.445 3.686 0 40 FHAB O=C(CCCNC(=O)c1ccc(F)cc1F)Nc1ccc(F)c(F)c1F 13000533 NOHJAENFGRFXPT-UHFFFAOYSA-N 372.293 3.531 0 40 FHAB C[C@]1(c2ccccc2)NC(=O)N(Cc2ccc(OC(F)(F)F)cc2)C1=O 13002085 DMCJHADEKMKFLN-QGZVFWFLSA-N 364.323 3.552 0 40 FHAB CN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc(F)c(C(=O)O)c1 13262239 XJEHZWZYWCTYKQ-UHFFFAOYSA-N 359.378 3.502 0 40 FHAB COc1ccc(OC)c(CN[C@H](c2ccc3c(c2)OCCO3)C(C)C)c1 26312500 BIMBJBACSPCQAK-NRFANRHFSA-N 357.450 3.962 0 40 FHAB COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccc(C)cc3)n2)cc1 6141530 VPYJESALIAEWIN-CYBMUJFWSA-N 368.462 3.908 0 40 FHAB NC(=O)c1ccc(NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 8564170 KJFGHODKUIKKQL-UHFFFAOYSA-N 360.413 3.659 0 40 FHAB O=C(CCc1nc(-c2ccco2)no1)Nc1cccc(C(F)(F)F)c1 13845361 OIODAGOUWPDADP-UHFFFAOYSA-N 351.284 3.920 0 40 FHAB O=C1C[C@@H](C(=O)Nc2cccc(Cl)c2)SC(Nc2ccccc2)=N1 13942819 YOXMXBZSSAFDLX-AWEZNQCLSA-N 359.838 3.779 0 40 FHAB Cc1cccc(-n2nc(SCC(=O)NC(C)(C)C)sc2=S)c1 14140269 ASNGPFMJFJSBLP-UHFFFAOYSA-N 353.538 3.979 0 40 FHAB C[C@@H](NCCS(=O)(=O)c1ccc(Br)cc1)c1cccs1 14169115 FQYPBXHVPSBASF-LLVKDONJSA-N 374.325 3.635 0 40 FHAB Cc1cccc(-c2nnc3sc(-c4ccc5c(c4)OCCO5)nn23)c1 4511668 INPZBPMDWYTJOX-UHFFFAOYSA-N 350.403 3.599 0 40 FHAB COc1ccc2nc(NC(=S)NC(=O)c3ccccc3C)sc2c1 4520390 COJKLIDARNLMIY-UHFFFAOYSA-N 357.460 3.740 0 40 FHAB O=C(Nc1cccc(-n2cnnn2)c1)c1sc2ccccc2c1Cl 5452224 FWEOQPXRVWBGFT-UHFFFAOYSA-N 355.810 3.783 0 40 FHAB Cc1csc(=O)n1CCC(=O)Nc1ccccc1Cc1ccccc1 6561611 GDXOWSCQEDKDIV-UHFFFAOYSA-N 352.459 3.838 0 40 FHAB CCc1n[nH]c(SCc2cccc(CSc3nc(CC)n[nH]3)c2)n1 5556407 JYZHVEWVLJNYMX-UHFFFAOYSA-N 360.512 3.632 0 40 FHAB Cc1cccc(OCCCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 14672720 HAGFSMLJUMOXQR-UHFFFAOYSA-N 352.434 3.685 0 40 FHAB Cc1nc(-c2ccc(CCNC(=O)COc3ccccc3)cc2)cs1 14701729 HMWORVWZHJCPHF-UHFFFAOYSA-N 352.459 3.856 0 40 FHAB CC(C)c1ccc(NC(=O)c2nnn(Cc3cccc(Cl)c3)c2N)cc1 4852424 SFBSMXCKUNOQIP-UHFFFAOYSA-N 369.856 3.938 0 40 FHAB C[C@H](SCc1ccccc1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 14915677 RGDPIXMJFDTQLR-NSHDSACASA-N 360.504 3.596 0 40 FHAB O=C(N[C@@H]1CCc2ccccc21)c1n[nH]nc1Nc1cccc(Cl)c1 67284131 FFYWHKJWKGHFKX-OAHLLOKOSA-N 353.813 3.619 0 40 FHAB COc1ccc(C(=O)OCC(=O)Nc2cccc3ccccc23)cc1F 16050027 MLEDSLUOMNQHAN-UHFFFAOYSA-N 353.349 3.783 0 40 FHAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 8014585 COTPZLXRUTZZNS-GFCCVEGCSA-N 363.373 3.622 0 40 FHAB Cc1ccc(-n2c(C)nnc2S[C@H](C)C(=O)NCc2cccs2)cc1 9155537 YMPCMLAIDHZQKS-CYBMUJFWSA-N 372.519 3.743 0 40 FHAB O=C(Nc1cccc2cccnc12)[C@H]1CC(=O)N(c2ccccc2Cl)C1 8230801 VPJKAYWFCPTWBE-AWEZNQCLSA-N 365.820 3.880 0 40 FHAB Cc1sc(NC(=O)c2ccco2)nc1-c1ccc2c(c1)NC(=O)[C@@H](C)O2 19796628 UWQSNXBAJXJCST-SECBINFHSA-N 369.402 3.683 0 40 FHAB CCCn1nc(NC(=O)c2ccco2)c2cc3cc(OC)ccc3nc21 9360206 FDBFCOUVKWIUGN-UHFFFAOYSA-N 350.378 3.848 0 40 FHAB Cc1nc2ccccc2c(C)c1CC(=O)NCCc1nc2ccccc2[nH]1 9319455 GYKNSORNNPWDMV-UHFFFAOYSA-N 358.445 3.629 0 40 FHAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccccc2OC)C1=O 9513240 LGQOWNJKASZFBV-LJQANCHMSA-N 358.825 3.706 0 40 FHAB O=C(c1ccc(F)cc1I)N1CC[C@@H]2CCCC[C@@H]21 72057440 WGLPEDWEFRTGMW-HZMBPMFUSA-N 373.209 3.835 0 40 FHAB C[C@@H]1C[C@@H](NC(=O)COc2ccc(Cl)cc2)CCN1Cc1ccccc1 95408971 KCGKQJKCNOZBBR-APWZRJJASA-N 372.896 3.888 0 40 FHAB COc1cc(C)ccc1CN[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 95454578 LZCAHYULHGVFOL-RTWAWAEBSA-N 374.912 3.819 0 40 FHAB CCSC1(CNC(=O)c2ccc3[nH]c(=S)oc3c2)CCOCC1 73935905 UUJPIGQQSITONF-UHFFFAOYSA-N 352.481 3.522 0 40 FHAB C[C@](O)(CNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1ccccc1Cl 95943422 GJRKEBMQXCYLRO-IBGZPJMESA-N 373.815 3.507 0 40 FHAB COc1cc(Cl)ccc1C(=O)N1CCC(O)(c2ccccc2C)CC1 75148649 JKPKKGNDARESJR-UHFFFAOYSA-N 359.853 3.781 0 40 FHAB COc1cc(CNC(=O)[C@@H](C)Oc2ccccc2C)ccc1OC(C)C 20452975 FQMLGKAAPJYLQQ-MRXNPFEDSA-N 357.450 3.875 0 40 FHAB Cc1sc2nc([C@H](C)Nc3ccc4c(c3)OCCCO4)[nH]c(=O)c2c1C 30448699 AJRCEUJDVVLDKF-NSHDSACASA-N 371.462 3.936 0 40 FHAB O=C(c1cc[nH]n1)N1CCC[C@H]1c1cncc(Oc2ccc(Cl)cc2)n1 72384029 ZVAHXQMGLQTMFW-INIZCTEOSA-N 369.812 3.623 0 40 FHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N(C)Cc1ccc(OC)c(OC)c1 216376804 KLOHRVJHXURQGN-SFHVURJKSA-N 373.449 3.528 0 40 FHAB C[C@@H](C(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2)c1)n1cccn1 32832783 NOEYMFUWUZZZTB-ZDUSSCGKSA-N 368.824 3.989 0 40 FHAB Cn1cncc1CN1CCC[C@H](c2cncc(Oc3ccccc3F)n2)C1 72363161 DGLWNRKGSVBOTC-HNNXBMFYSA-N 367.428 3.521 0 40 FHAB COc1ccc(C(=O)C2CCN(C(=O)OCc3ccccc3)CC2)cc1 32891432 NBDUJQXFQPIGJJ-UHFFFAOYSA-N 353.418 3.927 0 40 FHAB COc1ccc2c(c1)[C@@H](NC(=O)COc1ccc(C)cc1)CC(C)(C)O2 222762647 VYUYYLSWZHJZAW-SFHVURJKSA-N 355.434 3.801 0 40 FHAB CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCOC)c1C 223049005 FSUXOWCDGFIPTE-OALUTQOASA-N 372.538 3.529 0 40 FHAB S=C(NCc1ccco1)Nc1ccc(N2Cc3ccccc3C2)nc1 223902659 RQWFEOIHSXYTAB-UHFFFAOYSA-N 350.447 3.681 0 40 FHAB CSc1cc(C(=O)COc2ccc(C(C)=O)cc2)ccc1NC(C)=O 43242096 JVUBQPRJWGKSLD-UHFFFAOYSA-N 357.431 3.831 0 40 FHAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)ccc1Cl 223828345 WILXPCCMCWXHIW-UHFFFAOYSA-N 374.245 3.889 0 40 FHAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1 44852987 JWBGGJFSIVSUKV-KRWDZBQOSA-N 363.461 3.746 0 40 FHAB Cn1c(CNC(=O)c2ccc3c(c2)OCCCO3)cc2cc(Cl)ccc21 46077857 ITTGVFUBRLMKQX-UHFFFAOYSA-N 370.836 3.923 0 40 FHAB CC(C)N(Cc1ccc(C(=O)O)o1)C(=O)c1ccc2nc(Cl)oc2c1 225980408 FEKFTKLXDHWYBF-UHFFFAOYSA-N 362.769 3.823 0 40 FHAB C[C@@H](c1nc2ccccc2n1CC(=O)N1CCCCCC1)N1CCCCC1 82086969 GADKGXYQLRQSGC-SFHVURJKSA-N 368.525 3.986 0 40 FHAB O=C(O)c1coc(CN2CCC(c3ccccc3Br)CC2)n1 574332117 OSTDLGFXHQUOTF-UHFFFAOYSA-N 365.227 3.515 0 40 FHAB Cc1ccc(CNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 48691629 GOGJXLKXIBAMAQ-UHFFFAOYSA-N 374.440 3.829 0 40 FHAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCc1ccc(C)cc1 222906811 HQWOPHZYQPHPBJ-QGZVFWFLSA-N 370.468 3.968 0 40 FHAB COc1cccc(-c2ccc(C(=O)N3CCC[C@H](C(=O)O)C3)c(C)c2)c1 573139016 YJUIVUIBHAVQJP-KRWDZBQOSA-N 353.418 3.607 0 40 FHAB Cc1cc(OCC(=O)NCCSC2CCCC2)ccc1Br 224640514 KOMIJJOSKIJYDL-UHFFFAOYSA-N 372.328 3.928 0 40 FHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1nccs1 222727587 YEUFFKBZZZBQOU-JKSUJKDBSA-N 369.519 3.548 0 40 FHAB O=C(CCn1ccc2ccc(Cl)cc21)NCCc1nc2ccccc2[nH]1 96116641 IBLOWTYZNJQLEF-UHFFFAOYSA-N 366.852 3.920 0 40 FHAB O=C(CCn1ccc2c(Cl)cccc21)N1CC[C@]2(O)CCCC[C@@H]2C1 95472468 XVODSGUWVYKNCC-FOIQADDNSA-N 360.885 3.838 0 40 FHAB COc1ccc(CN2CC[C@@]3(CC(=O)N(c4ccc(C)s4)C3)C2)cc1 96050872 NPRNLZINQNNDCV-HXUWFJFHSA-N 356.491 3.694 0 40 FHAB COCCOc1cccc(CN2[C@H]3CC[C@H]2c2cnc(C4CC4)nc2C3)c1 247914126 YYNYMGNONIYXEB-UWJYYQICSA-N 365.477 3.641 0 40 FHAB Cc1noc([C@H]2CCN(Cc3ccc(-c4ccccc4C(=O)O)cc3)C2)n1 257271875 NADSPACPZDXCBI-KRWDZBQOSA-N 363.417 3.733 0 40 FHAB c1cc2n(c1)[C@@H](CCOCC1CCOCC1)CN(Cc1ccsc1)C2 253588398 BGWQWYGVWAFFLP-FQEVSTJZSA-N 360.523 3.940 0 40 FHAB CO[C@@H]1CCCOC12CCN(C(=O)c1cccc(C(F)(F)F)c1)CC2 257261444 LHIJXYQFXOJIAD-OAHLLOKOSA-N 357.372 3.506 0 40 FHAB O=C([C@H]1CC=CCC1)N1CCC(c2cccc(Nc3cnccn3)n2)CC1 257341488 ZKOKJJDXVQIPFD-KRWDZBQOSA-N 363.465 3.678 0 40 FHAB Cc1cc(-c2cc(C(F)(F)F)nn2[C@@H]2CCCS(=O)(=O)C2)c(C)o1 634633862 ICDHJNSQXWLJQK-LLVKDONJSA-N 362.373 3.528 0 40 FHAB O=C(c1cn(C2CCC2)nn1)N1CCSC[C@H]1c1ccc(Cl)cc1 648290640 HZCOTEKUBDUUKZ-INIZCTEOSA-N 362.886 3.587 0 40 FHAB O=C(C[C@@H](C(=O)O)c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2 1776002951 OEDAWWCTQIKYRT-CYBMUJFWSA-N 366.291 3.875 0 40 FHAB Cc1ccc2c(c1)CN(C(=O)N[C@H](C)[C@@H]1OCCc3sccc31)CCO2 644543600 XXQIXPUSPXPTKE-KUHUBIRLSA-N 372.490 3.663 0 40 FHAB O=C(NCc1ccc(-c2ccoc2)nc1)C1(c2ccccc2)CCOCC1 390829936 HPINBLJLTVWOFM-UHFFFAOYSA-N 362.429 3.706 0 40 FHAB Cc1ccccc1OCCn1c(CCNC(=O)C(C)C)nc2ccccc21 646679 QMMNPBXPGDECCC-UHFFFAOYSA-N 365.477 3.738 0 40 FHAB CC[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1CC(=O)NCc1ccc(F)cc1 5415277 HXFFGYFDRDERSN-IRXDYDNUSA-N 362.489 3.753 0 40 FHAB biogenic,in-vitro Cc1ncc(-c2ccncc2)c(C2CCN(C(=O)N3CCCCC3)CC2)n1 12088666 WKUCTZHGVOAKQM-UHFFFAOYSA-N 365.481 3.632 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2)N1Cc1ccncc1 13207216 FFKHMEJXTQSGOB-HXUWFJFHSA-N 368.392 3.933 0 40 FHAB COc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)OCc2ccccc2)cc1 4973985 UQADXORURIJRAI-LJQANCHMSA-N 370.449 3.975 0 40 FHAB COC(=O)C[C@@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)c1ccccc1 16182032 DYAVOWLJQCREAC-QGZVFWFLSA-N 371.820 3.536 0 40 FHAB CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1 16985414 DBEBFRMFXGIWFU-UHFFFAOYSA-N 355.434 3.781 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)c2cn3cc(C)ccc3n2)c(OC)c1 19234346 KSXLSPWXUOJMPO-GOSISDBHSA-N 365.433 3.637 0 40 FHAB COc1ccccc1CN1CCc2c(nc(C(C)C)nc2N2CCCC2)C1 19453655 XPOIHGRYQSRDSO-UHFFFAOYSA-N 366.509 3.767 0 40 FHAB C[C@H](Nc1nc([C@H](C)Cn2cc(Cl)cn2)cc(=O)[nH]1)c1ccccc1 19457418 VFZAXPOJJUJJBU-OLZOCXBDSA-N 357.845 3.597 0 40 FHAB COc1ccccc1C(=O)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1 19568728 JZBQZMFQZYHLDK-GOSISDBHSA-N 362.433 3.848 0 40 FHAB CC(=O)NCc1ccc(-c2ccc(C(=O)NC3CCCCC3)c(C)n2)cc1 19700545 MUFXPGCBEICGQB-UHFFFAOYSA-N 365.477 3.756 0 40 FHAB Fc1cccc(F)c1-n1ccc(COc2cccnc2Br)n1 154265263 FEKNBZLSIQERLZ-UHFFFAOYSA-N 366.165 3.887 0 40 FHAB CCOc1ccc2c(c1)c1nnc(SCc3cccnc3)nc1n2C 35314406 MIPZMKBQIOJACE-UHFFFAOYSA-N 351.435 3.603 0 40 FHAB Cc1nc2c(s1)[C@@H](N(C)S(=O)(=O)c1ccc(Cl)cc1F)CCC2 111365872 QTMPQEVAVUVCSV-ZDUSSCGKSA-N 374.890 3.942 0 40 FHAB O=C(O)/C=C/c1cccc(NC(=S)NC(=O)c2cccc(Cl)c2)c1 226323117 OKDRSAOBTMEARR-BQYQJAHWSA-N 360.822 3.565 0 40 FHAB O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1snc(O)c1Cl 559295689 BQKDDNGUBLSOCF-VIFPVBQESA-N 372.702 3.814 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)N3[C@H](C)CCC[C@H]3C)n2C)cc1 916503 WYJXPXMIANILLG-HUUCEWRRSA-N 358.511 3.672 0 40 FHAB CC(=O)Nc1ccc(NC(=O)Cc2ccc(F)cc2)c(C(F)(F)F)c1 10641113 GXLGATXYWWHERT-UHFFFAOYSA-N 354.303 3.984 0 40 FHAB CCS(=O)(=O)c1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1 25705648 PDTCVHIMYUPVKV-UHFFFAOYSA-N 371.502 3.575 0 40 FHAB COc1ccc(-c2cc(CNC(=O)Cc3ccc(Cl)cc3)no2)cc1 12638131 QFMIFNWCHREMNC-UHFFFAOYSA-N 356.809 3.863 0 40 FHAB O=C(CCc1csc(NC(=O)NC2CCCCC2)n1)NC1CCCC1 16849268 GMTMIAKEDQPBSK-UHFFFAOYSA-N 364.515 3.589 0 40 FHAB Cn1/c(=N\C(=O)c2ccc(Br)s2)sc2ccccc21 100811300 DXTYOHXXLATHMK-FYWRMAATSA-N 353.266 3.805 0 40 FHAB CC[C@@H](C)[C@H](CO)NC(=O)c1ccc2nc(-n3c(C)ccc3C)sc2c1 209100623 VYXMDMSVLQJDCU-PXAZEXFGSA-N 371.506 3.841 0 40 FHAB CCN(CC)c1ccc(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)cn1 40154786 POOPIZKNTUMCIQ-UHFFFAOYSA-N 353.401 3.709 0 40 FHAB O=C(CN1C(=O)CCOc2ccccc21)Nc1ccc(Cl)c(Cl)c1 7916990 SJFLTYJLIKMBPQ-UHFFFAOYSA-N 365.216 3.748 0 40 FHAB CC(=O)N[C@H]1C(=O)N(CCCOc2ccccc2Cl)c2c(C)cccc21 8047607 PGBCDIWGFUNDPI-GOSISDBHSA-N 372.852 3.641 0 40 FHAB O=C(NCC1CC1)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 29792114 LXOLCQWTTWEPDY-UHFFFAOYSA-N 374.366 3.822 0 40 FHAB Cc1onc(-c2ccccc2)c1C(=O)N1CCCN2C(=O)c3ccccc3[C@@H]21 1048064 YAAMIRLNTFWVDY-FQEVSTJZSA-N 373.412 3.651 0 40 FHAB COc1ccccc1NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1 1961955 LOVOKUWGKXMYCF-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)N(C)C1CCCCC1 32707923 RKIUMBYNRAVYHH-HNNXBMFYSA-N 370.449 3.986 0 40 FHAB CC(C)(C)c1nc2cc(NC(=O)c3ccc4c(c3)NC(=O)CO4)ccc2o1 46393093 GVKUVOHHUJQMMS-UHFFFAOYSA-N 365.389 3.709 0 40 FHAB NC(=O)c1ccsc1NC(=O)c1ccccc1OCc1ccccc1 2651521 OFOLUYNBKPXQAZ-UHFFFAOYSA-N 352.415 3.678 0 40 FHAB O=C(c1cccnc1)N1CCC(Nc2ccc(Br)cc2)CC1 4749394 XRXGRZQZUSQLAA-UHFFFAOYSA-N 360.255 3.561 0 40 FHAB CCC(=O)N1CCc2cc(-c3csc(NC(=O)C4CCC4)n3)ccc21 4894066 BJRBTQWQKPMUMD-UHFFFAOYSA-N 355.463 3.848 0 40 FHAB CC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 6224581 ZPGWQNRCHZQXSC-HNNXBMFYSA-N 360.479 3.633 0 40 FHAB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OC(C)=O)cc1 6822175 UIDFZLVFBILOLL-NTEUORMPSA-N 370.792 3.820 0 40 FHAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C)c(C)c1 7053200 UTUYTMAYPARWCC-UHFFFAOYSA-N 370.268 3.875 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1N[C@@H](C)C(=O)N1CCc2ccccc2C1 32900811 HCNCSODAWYOCJM-KRWDZBQOSA-N 374.488 3.874 0 40 FHAB COc1ccc(SCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 7641964 RALQMGPGSGUIAO-UHFFFAOYSA-N 356.447 3.553 0 40 FHAB CC[C@@H](CO)NCc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 8326285 VHJZYYOBJYEKHQ-INIZCTEOSA-N 367.848 3.927 0 40 FHAB Cc1cc(C)n2nc(SCc3nc(-c4ccccc4Cl)no3)nc2n1 8392699 HONNOPLKYVQKTJ-UHFFFAOYSA-N 372.841 3.737 0 40 FHAB CCC(=O)c1cc(Cl)ccc1OCC(=O)Nc1cccc(NC(C)=O)c1 8744700 FXSRPZFVHUWBNO-UHFFFAOYSA-N 374.824 3.909 0 40 FHAB O=C(Nc1ccc2c(c1)CCC2)C12C[C@@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 102834086 OYVWLCHIXOFZFH-TUKZGULFSA-N 362.477 3.701 0 40 FHAB O=C(Cc1ccccc1Cl)Nc1ccc(Br)cc1C(=O)O 8190043 APFPOTCRGZNNFI-UHFFFAOYSA-N 368.614 3.982 0 40 FHAB CN(C)c1ccc(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)cn1 41867108 NECGOGIEEWNSBI-UHFFFAOYSA-N 365.355 3.639 0 40 FHAB Cc1cccc(/C=C/C(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1 41986333 HPNHGXKFCKBGJN-BLGFXRMMSA-N 354.494 3.505 0 40 FHAB COc1ccc(-c2csc3ncnc(N(C)Cc4nccn4C)c23)cc1 12549525 OYPLVQLGQOUAHK-UHFFFAOYSA-N 365.462 3.737 0 40 FHAB O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccc2c(c1)OCO2 55741868 KIIRFTJXMVAMCC-UHFFFAOYSA-N 366.417 3.684 0 40 FHAB COc1ccc(C)cc1[C@H](C)Nc1cc(C)nc2nc(C(F)(F)F)nn12 26696581 FRYYZHJPJSTRRR-NSHDSACASA-N 365.359 3.942 0 40 FHAB Cc1ccccc1-n1nnnc1SCC(=O)N(c1ccccc1)C(C)C 3236884 ZTYSLTHFCCGVBI-UHFFFAOYSA-N 367.478 3.504 0 40 FHAB Cc1cc(C)cc(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)c1 3274710 CJISZKVYHZPLNE-UHFFFAOYSA-N 350.418 3.899 0 40 FHAB Cc1nn(Cc2cccc(C(=O)NCc3cccnc3)c2)c(C)c1Cl 28576147 RXGMLWGODJLANI-UHFFFAOYSA-N 354.841 3.527 0 40 FHAB c1nc(Sc2nnc(CN3CCCCC3)o2)c2c3c(sc2n1)CCC3 12681146 QCPRSEJGNZXFIU-UHFFFAOYSA-N 373.507 3.700 0 40 FHAB Cc1nc(-c2cccc(NC(=O)[C@@H](C)OC[C@@H]3CCCCO3)c2)oc1C 69357497 UQNWLMIOXAWPIP-QAPCUYQASA-N 358.438 3.871 0 40 FHAB C[C@@H]1CCc2sc(-c3nnc(S[C@@H]4C[C@@H](C)OC4=O)o3)cc2C1 12617698 CZONKZLMUDKTHL-JRKPZEMJSA-N 350.465 3.719 0 40 FHAB CC(C)NC(=O)Nc1cccc(C(=O)N(C2CC2)[C@H](C)c2ccccn2)c1 58264638 OBLALQDYRKFJKY-OAHLLOKOSA-N 366.465 3.977 0 40 FHAB Cc1cc(-n2c(C)cc(/C=C3\N=C(c4ccccc4F)OC3=O)c2C)no1 27543636 INTDEFDWHKHOBO-YVLHZVERSA-N 365.364 3.874 0 40 FHAB C[C@H](NC(=O)COc1ncnc2sc3c(c12)CCCC3)c1ccccc1 3359697 VHOMKGNKUBIWMT-ZDUSSCGKSA-N 367.474 3.826 0 40 FHAB COC(=O)c1ccc([C@@H]2NC(=O)c3c(sc4c3CC[C@@H](C)C4)N2)cc1 3647449 PCFVYSKRXYIUPA-QLJPJBMISA-N 356.447 3.514 0 40 FHAB CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Cc2noc3ccccc23)c1 49114074 FBTVIOBRXQITAS-CQSZACIVSA-N 365.433 3.671 0 40 FHAB CCN(CC)C(=O)COc1ccccc1-c1nc(-c2ccccc2)no1 64579550 DMZUPWVMYRUEFJ-UHFFFAOYSA-N 351.406 3.651 0 40 FHAB CCN(CC)CCNc1nc2sc3c(c2c2nc(C)nn12)C[C@H](C)CC3 13724937 SDAJRYICAWFICR-GFCCVEGCSA-N 372.542 3.526 0 40 FHAB COc1ccc(/N=c2\scc(-c3ccc(OC)cc3F)n2CCO)cc1 17201361 FDAHRHHHYHKHPL-VZCXRCSSSA-N 374.437 3.598 0 40 FHAB COc1ccc(-c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1OC 14161619 SJOMERWRQZFBKW-UHFFFAOYSA-N 368.414 3.825 0 40 FHAB CC(=O)c1csc(NC(=O)c2cccc(OCc3csc(C)n3)c2)n1 14142311 DRDDVJXJORKQMT-UHFFFAOYSA-N 373.459 3.942 0 40 FHAB O=C(Nc1ccc(F)c(F)c1)C1CCN(c2nc3ccccc3o2)CC1 14140637 CKAKFNOLGSWKOZ-UHFFFAOYSA-N 357.360 3.961 0 40 FHAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC)c(OC)c2)N3)C1 4556122 GWZQJWDMZOPWFO-QGZVFWFLSA-N 373.478 3.572 0 40 FHAB COc1cc(OC)cc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)c1 5497467 YOOQNJWVVMTLPW-LLVKDONJSA-N 365.813 3.772 0 40 FHAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(SC(F)F)cc1 5555819 AUXXULSKTMXNCK-UHFFFAOYSA-N 351.374 3.954 0 40 FHAB O=C(OC[C@H]1CC(c2ccccc2)=NO1)c1ccc(Br)cc1 5524347 KNYTVNBFYLKVNJ-OAHLLOKOSA-N 360.207 3.799 0 40 FHAB CCOc1ccc(NC(=O)CCn2c(=O)oc3ccc(Cl)cc32)cc1 6760170 HEMHGLXHFYOREU-UHFFFAOYSA-N 360.797 3.675 0 40 FHAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-c2nnn[nH]2)cc1 8728482 CNQCUTWYOQJIEQ-UHFFFAOYSA-N 367.718 3.791 0 40 FHAB CCOC(=O)[C@H](CC)OC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 7003031 FXFPWTHUVCXABD-HNNXBMFYSA-N 372.446 3.894 0 40 FHAB COc1ccc(-c2noc(-c3cc4cc(F)ccc4oc3=O)n2)cc1OC 15678973 VEKUNKXRDMOYDA-UHFFFAOYSA-N 368.320 3.666 0 40 FHAB COc1ccc(OC)c(C(=O)COc2ccc(F)cc2Br)c1 7393137 RZCALQVTMFRQDY-UHFFFAOYSA-N 369.186 3.867 0 40 FHAB COc1ccc(-c2nc(CNC(=O)c3ccccc3OC)cs2)cc1 15832638 QFOZRUYIDVSXNA-UHFFFAOYSA-N 354.431 3.757 0 40 FHAB CCCCC12CN3CC(C)(CN(C1)C3c1ccc(OC(C)C)cc1)C2=O 19320255 RQAAQTLYYSJDDH-UHFFFAOYSA-N 356.510 3.869 0 40 FHAB biogenic O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1ccc(F)c(F)c1 7927214 WYYWWIBHCFSNMM-CQSZACIVSA-N 366.433 3.646 0 40 FHAB O=C(c1cncc(Br)c1)N1CC=C(c2ccc(F)cc2)CC1 9446348 LUDZAQCHPDOMRE-UHFFFAOYSA-N 361.214 3.913 0 40 FHAB COc1ccccc1NC(=O)[C@@H](C)Sc1nncc(-c2cccs2)n1 9516431 CPPDVHUGHDAVHL-LLVKDONJSA-N 372.475 3.728 0 40 FHAB C[C@H]1CN(CC2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc2NC1=O 84715228 POXRICWRKQYTLJ-HNNXBMFYSA-N 373.497 3.728 0 40 FHAB CCNC(=O)N[C@H]1C[C@@H](Cc2cc(CN(C)c3ccccc3)on2)C1(C)C 67890137 NVGNVHNBFBGSPU-BEFAXECRSA-N 370.497 3.587 0 40 FHAB biogenic,in-vitro CCc1cc(NC[C@@H]2CC(=O)Nc3ccccc32)nc(-c2ccncc2)n1 95963881 SNGLYZVYDFPYJA-HNNXBMFYSA-N 359.433 3.639 0 40 FHAB CCOC(=O)CC[C@H]1CCCN(C(=O)CCc2c[nH]c3c(C)cccc23)C1 95973229 UYYXKDGEBTYLHQ-QGZVFWFLSA-N 370.493 3.991 0 40 FHAB Cn1ncc(NC(=O)C2(c3cccc(Br)c3)CC2)c1C(F)F 89741041 IBBUZAVSOHVAEY-UHFFFAOYSA-N 370.197 3.791 0 40 FHAB O=C(CSCc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 408574605 JDUFDLYVIOVCHU-KPKJPENVSA-N 366.530 3.777 0 40 FHAB Cc1cc(Cl)ccc1OCC(=O)N(C)Cc1nnc(-c2ccccc2)o1 408714929 YSTGSOMMGMACMS-UHFFFAOYSA-N 371.824 3.736 0 40 FHAB O=C1C[C@@H](Nc2cccc(Cl)c2Cl)C(=O)N1c1ccc(F)cc1 36635760 KWAOBLIMVNHNJV-CYBMUJFWSA-N 353.180 3.877 0 40 FHAB CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccc(F)c1 71980478 GIWMQVSMMLRBGN-FXUPRZHBSA-N 363.429 3.684 0 40 FHAB O[C@H](c1nc2cc(Cl)ccc2[nH]1)[C@H](O)c1nc2ccc(Cl)cc2[nH]1 8628094 BHSYAWYITFSQIG-KBPBESRZSA-N 363.204 3.513 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](c2ccsc2)C1 670355604 KBVHUIAVMUIUGW-NSHDSACASA-N 357.884 3.588 0 40 FHAB CO[C@@](C)(C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1)C1CC1 225643721 NJAJLLUCINIMFQ-OAQYLSRUSA-N 360.498 3.551 0 40 FHAB Cc1cn2c(CCC(=O)Nc3nc(-c4ccco4)cs3)csc2n1 49422430 RVJPIITZFXTZLL-UHFFFAOYSA-N 358.448 3.992 0 40 FHAB Cc1cccc(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)n1 225833976 AZJPJJVNTUKOTO-UHFFFAOYSA-N 359.842 3.580 0 40 FHAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCOCc1ccccc1 224179708 AIIOMYHRBDZPCU-UHFFFAOYSA-N 374.289 3.630 0 40 FHAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)o1 224590223 MASRMBZFEKVNEB-ZWKOTPCHSA-N 351.431 3.866 0 40 FHAB CCN(CC(=O)NCc1ccc(F)cc1C(F)(F)F)c1ccccc1 40154549 DVGNLCQECGVYEO-UHFFFAOYSA-N 354.347 3.987 0 40 FHAB CCn1c(=O)sc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 45960848 PGUMPSPMVRWXGL-UHFFFAOYSA-N 368.867 3.537 0 40 FHAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccn2)S1 222587144 OGNBCUYUQFAZNC-ZMYBRWDISA-N 361.474 3.857 0 40 FHAB CC[C@H](NC(=S)Nc1ccc(C)cc1)c1ccc(S(C)(=O)=O)cc1 225721984 PNJKANDPMUVGIW-KRWDZBQOSA-N 362.520 3.836 0 40 FHAB COc1ccc([C@H](C)NC(=O)Nc2nc(-c3ccccc3)no2)cc1F 97143635 YCJPOKOOWAEISV-NSHDSACASA-N 356.357 3.767 0 40 FHAB CCc1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)cc1 95067935 MKGQWSOANIYUSC-UHFFFAOYSA-N 358.232 3.951 0 40 FHAB CC(C)Cn1ncc(NC(=O)N2CCO[C@H](c3ccco3)C2)c1C(F)F 331796713 WHSAMKZHAVELAX-AWEZNQCLSA-N 368.384 3.675 0 40 FHAB CC(=O)N1CCC[C@H](c2[nH]c3cccnc3c2CN2C[C@H](C)C[C@@H](C)C2)C1 247941998 NQPZJKOBDPBIBW-NUJGCVRESA-N 368.525 3.767 0 40 FHAB CN(C)Cc1cccc([C@H]2CCCN2C(=O)/C=C/c2ccccc2F)n1 257265573 LZFXBUHWBUOTBV-DRUFCSCSSA-N 353.441 3.659 0 40 FHAB C[C@]1(c2cc[nH]n2)CCCN(Cc2ccc(-c3ccccc3C(=O)O)o2)C1 257303518 SHODUFAKARSSEX-NRFANRHFSA-N 365.433 3.922 0 40 FHAB Cc1cnc([C@H]2CCCN(C(=O)CCn3ncc4ccccc43)C2)s1 257277545 NYIVYZHRUJMHNY-INIZCTEOSA-N 354.479 3.598 0 40 FHAB Cc1nc(C2(C)CCN(C(=O)Cc3ccc(F)cc3)CC2)c2sccn12 257257442 KPONAOVOLRCUEQ-UHFFFAOYSA-N 371.481 3.966 0 40 FHAB CC(=O)Nc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)cc1 257286891 PNMYKGNSCVWRJM-ZEWLQOSNSA-N 370.493 3.664 0 40 FHAB CCOc1ccc(C(=O)NCCCN2CCCC[C@H]2CC)cc1OCC 260842708 RSTHJPPXVXRGFJ-GOSISDBHSA-N 362.514 3.868 0 40 FHAB O=C(CC1(n2cccc2)CCOCC1)Nc1nc2ccc(F)cc2s1 604418953 YSINELHIIMRVID-UHFFFAOYSA-N 359.426 3.771 0 40 FHAB COc1ccc(OC)c(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1 53357713 JZYPYRJMLHFMEJ-KRWDZBQOSA-N 351.406 3.557 0 40 FHAB CN(Cc1nc(-c2cccs2)no1)[C@H]1CCCN(c2ccccc2)C1 81013392 KXTOCAYSWJLKIK-INIZCTEOSA-N 354.479 3.899 0 40 FHAB Cc1cccc(C)c1NC(=O)CSc1nnc(Cc2cccs2)n1C 5579989 JXUHNNQDTPQANY-UHFFFAOYSA-N 372.519 3.815 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)c1nc(Cl)ccc1Cl 11712596 FKHDQJUUJLDAQN-HOSYDEDBSA-N 359.253 3.629 0 40 FHAB COc1cc(NC(=O)CSCc2ccc(C)cc2)cc(OC)c1OC 14200161 DGRZEFVGKZEPFM-UHFFFAOYSA-N 361.463 3.893 0 40 FHAB CCC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C/C1=C\C(=O)OCC 17061365 LFZYBLRISRNIIY-ULPJZJLVSA-N 373.493 3.913 0 40 FHAB CC(C)(C)[C@H]1CCc2[nH]nc(C(=O)NCCCOc3ccccc3F)c2C1 19661512 YHJDXLWOMVLJFG-AWEZNQCLSA-N 373.472 3.899 0 40 FHAB COC(C)(C)C(=O)N1CCC[C@@H]1c1ccc(Cc2ccc(F)cc2)cn1 19688498 BEECUQKCWRSVLP-LJQANCHMSA-N 356.441 3.900 0 40 FHAB Cc1nc(CC2CCN(C3CCOCC3)CC2)cc(NC2CCCC2)n1 19757678 VSUSUSHIUYPNQP-UHFFFAOYSA-N 358.530 3.573 0 40 FHAB C[C@@H](NC(=O)[C@@]1(C)CC1(Br)Br)c1ccccc1 4714234 IDVKVUZYDPROIM-BXKDBHETSA-N 361.077 3.760 0 40 FHAB O=S(=O)(O)CCC[n+]1c(/C=C/c2ccccc2)sc2ccccc21 5578591 SGWJFRMAHLCKKC-VAWYXSNFSA-O 360.480 3.637 0 40 FHAB CN(c1ncccc1C(F)(F)F)[C@H]1CCCN(Cc2ccncc2)C1 1889122629 OLGUJEZKDATHIR-HNNXBMFYSA-N 350.388 3.596 0 40 FHAB CN(c1ncc(Cl)cn1)C1CCN(Cc2ccc(Cl)cc2)CC1 1889128256 GOMIBWFQAQUJCP-UHFFFAOYSA-N 351.281 3.884 0 40 FHAB FC(F)(F)c1cccc(CN2CCC(COc3cnccn3)CC2)c1 1889130430 XXOWJZTUWRQPPD-UHFFFAOYSA-N 351.372 3.786 0 40 FHAB CC[C@@H](C(=O)N1CCC(N(C)c2ncc(Cl)cn2)CC1)c1ccccc1 1889152014 NLVCVERDSLDMKX-GOSISDBHSA-N 372.900 3.751 0 40 FHAB O=C(NC[C@]1(O)CCCc2sccc21)c1ccc(OC(F)(F)F)cc1 1889237065 VWEFZKGUNKNIBR-MRXNPFEDSA-N 371.380 3.601 0 40 FHAB O=C(NCc1cccnc1-c1cccnc1)c1cccc(Br)c1 238952319 XEUQUSZNTUEJAV-UHFFFAOYSA-N 368.234 3.836 0 40 FHAB CCc1ccc(C(=O)N2CCC[C@@](COc3ccccc3)(OC)C2)cc1 2037916102 OBPBYVGJVSBJJQ-JOCHJYFZSA-N 353.462 3.949 0 40 FHAB CSc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1 5222573 RVAGSAOTVLOVHZ-SNVBAGLBSA-N 360.504 3.946 0 40 FHAB C[C@H](Cc1csc2ccccc12)NS(=O)(=O)c1ccc2c(c1)CCO2 575620223 JEDTTWDFEIYGEG-CYBMUJFWSA-N 373.499 3.746 0 40 FHAB COc1ccc(S(=O)(=O)NCc2ccc(-c3ccoc3)o2)cc1Cl 575611426 VFWSOVNBWIFQFK-UHFFFAOYSA-N 367.810 3.680 0 40 FHAB CC(C)(C)[C@@H]1CNC(=O)[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1 585149880 WSLUZDGGQQSUTH-RTBURBONSA-N 366.461 3.612 0 40 FHAB O=S(=O)(NCCCOCc1ccccc1)c1cc(Cl)ccc1Cl 40005772 BBMPDFFLYQAAPN-UHFFFAOYSA-N 374.289 3.879 0 40 FHAB CCOc1ccccc1CCC(=O)N1CCN(C)C[C@H]1c1ccccc1 40007807 YVUBLFQXRPHWQR-FQEVSTJZSA-N 352.478 3.533 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1nc2ccccc2[nH]1 11752857 UEVYAIOIHBBDGF-CYBMUJFWSA-N 357.841 3.733 0 40 FHAB COC(=O)c1cnc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)s1 32493997 FMHTWEXHAZHRHI-CYBMUJFWSA-N 352.843 3.961 0 40 FHAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1cccc(N2CCCCC2=O)c1 46008386 VXJYOTIVCYYXMS-APWZRJJASA-N 373.497 3.920 0 40 FHAB CCN1CCN(c2ccc(NC(=O)Nc3ccc(F)cc3)c(C)c2)CC1 29617189 VNOWXECZOXMKAZ-UHFFFAOYSA-N 356.445 3.920 0 40 FHAB Cc1cc(C)cc(-n2nnnc2SCC(=O)Nc2c(C)cccc2C)c1 1353458 PTYITBZHKZNWIO-UHFFFAOYSA-N 367.478 3.627 0 40 FHAB C[C@@H](CC(=O)Nc1nc(-c2ccccc2)cs1)NC(=O)c1ccccc1 21448085 GCDFXLLMWLPLLO-AWEZNQCLSA-N 365.458 3.957 0 40 FHAB CCN(C)S(=O)(=O)c1csc(C(=O)Nc2c(C)cc(C)cc2C)c1 6680387 QJUPACNFJQPBFJ-UHFFFAOYSA-N 366.508 3.566 0 40 FHAB CCOC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2C)cc1 6956301 ZYZQLIAJCKSPDO-UHFFFAOYSA-N 353.447 3.951 0 40 FHAB COc1cc(CNn2c(C)n[nH]c2=S)ccc1OCc1ccccc1F 7602687 VYESIJMHZFBUKW-UHFFFAOYSA-N 374.441 3.720 0 40 FHAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)O[C@@H]3C[C@H](C)OC3=O)sc2n1 7785304 ZBBMEGRIGCTZTB-QWHCGFSZSA-N 370.430 3.565 0 40 FHAB O=C([C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21)N1CCCCCC1 46463411 RXVWUOJWKKHSHR-RTBURBONSA-N 354.494 3.785 0 40 FHAB Cc1c(C(=O)Nc2ccc(F)cc2C(F)(F)F)cnn1-c1ccccn1 102738579 PRIAQBJAYZVXDY-UHFFFAOYSA-N 364.302 3.986 0 40 FHAB O=C1O[C@H](C(=O)Nc2ccccc2C(=O)c2ccccc2)Cc2ccccc21 2708413 LAZITOAXOIYGNX-FQEVSTJZSA-N 371.392 3.638 0 40 FHAB CCCN1CCN(CC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)CC1 22877320 UDAUBGVAJZZYIO-IBGZPJMESA-N 365.521 3.558 0 40 FHAB C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1 55344431 ATEPFLRELWLRMK-GOSISDBHSA-N 372.468 3.640 0 40 FHAB CN1c2ccccc2C(=O)N(c2ccccc2Cl)[C@H]1c1csnn1 54702357 SSUAEESKIQOKQU-INIZCTEOSA-N 356.838 3.987 0 40 FHAB CCc1noc([C@@H](C)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)n1 106138438 CZLBUCYMUOESFU-GFCCVEGCSA-N 369.296 3.818 0 40 FHAB CSc1ccc(CN(C)C(=O)[C@H](C)n2c(=O)oc3ccccc32)cc1 25008806 BFILBMANCJIYPB-ZDUSSCGKSA-N 356.447 3.536 0 40 FHAB CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3ccc(C)cc3C)ccc21 12562015 YWZVVNPFIWPTQO-OAHLLOKOSA-N 351.450 3.652 0 40 FHAB CCN1CCC[C@@H]1CNC(=O)C[C@H](Cn1cccc1)c1ccc(Cl)cc1 108246192 UHJPXULDELKMGQ-UYAOXDASSA-N 373.928 3.916 0 40 FHAB CCc1ccc(-c2nc(C)c(C(=O)N3C[C@@H]4CC[C@H](O)[C@H]4C3)s2)cc1 108391297 FYVVUTFWVGTJFN-ULQDDVLXSA-N 356.491 3.524 0 40 FHAB CC[C@@H](Oc1ccccc1)C(=O)N(C)Cc1nc(-c2cccs2)no1 28188858 OTSNKJOSFJJSKF-CQSZACIVSA-N 357.435 3.614 0 40 FHAB Clc1cccc(Cl)c1Cc1nnc2sc(-c3csnn3)nn12 36357207 KYXACZDKCIJFOS-UHFFFAOYSA-N 369.262 3.602 0 40 FHAB Cc1cc(-c2nn3c(-c4cc(Cl)ccc4Cl)nnc3s2)n(C)n1 36359511 QNIQGONBVMAUFS-UHFFFAOYSA-N 365.249 3.869 0 40 FHAB O=S(=O)(CCCSc1nnc(Cc2ccccc2)o1)c1ccccc1 48187101 UTWRESYNKXDGKP-UHFFFAOYSA-N 374.487 3.617 0 40 FHAB Cc1c(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cnn1C 10700227 WZZPQONJUOBZMJ-IBGZPJMESA-N 358.445 3.772 0 40 FHAB CC(=O)c1ccc(O[C@H](C)C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 12789164 GDJSVCJRECEENU-CQSZACIVSA-N 366.421 3.621 0 40 FHAB O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccc(C(=O)NC2CC2)c1 16470746 MIPSAUNPNZZDQF-UHFFFAOYSA-N 362.351 3.779 0 40 FHAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccn(C)n3)cccc2c1=O 12894229 GHHKRFOERICBFR-UHFFFAOYSA-N 359.385 3.754 0 40 FHAB COc1ccc2oc(C(=O)N3CCN(c4ccccc4)CC3)c(C)c2c1 3528476 HCTIULHJKWDSOC-UHFFFAOYSA-N 350.418 3.712 0 40 FHAB CC(C)c1ccccc1NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 12914543 AHHMZMXUPRFTNN-UHFFFAOYSA-N 372.490 3.775 0 40 FHAB COC(=O)c1sc2nc(/C=C/c3ccc(Cl)cc3)[nH]c(=O)c2c1C 8136392 BHAZRMYFYQOCPT-VMPITWQZSA-N 360.822 3.903 0 40 FHAB CCOC(=O)c1ccc(NC(=O)CN(C)[C@H]2CCCc3ccccc32)cc1 8126642 USPTYKLEKHYEKA-FQEVSTJZSA-N 366.461 3.811 0 40 FHAB CCOC(=O)c1ccoc1CN1CCN(c2cc(Cl)ccc2C)CC1 8191686 CTMAJCBRGCZJLI-UHFFFAOYSA-N 362.857 3.740 0 40 FHAB CCc1oc2ccccc2c1/C=C/C(=O)N1CCCC[C@H]1C1OCCO1 69198883 PMQNVWHMEORTTI-DVQDXYAYSA-N 355.434 3.762 0 40 FHAB COC[C@@H](NC(=O)Nc1nn(-c2ccccc2Cl)cc1C)c1ccco1 92187787 POCDONDWHMBZHM-CQSZACIVSA-N 374.828 3.936 0 40 FHAB C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)N1CCc2ccccc2C1 6054621 LKCCHDIKGZBXIW-AWEZNQCLSA-N 365.458 3.802 0 40 FHAB CCc1ccc(CCC(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1 8305322 HAELAOSLSLFNFJ-UHFFFAOYSA-N 352.478 3.896 0 40 FHAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(C)c(C)c3)CC2=O)cc1 4385209 MUXALITYAINDMC-INIZCTEOSA-N 352.434 3.694 0 40 FHAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2cccnc2)o1 5213962 AJWZXSVYTWLQRU-UHFFFAOYSA-N 360.826 3.824 0 40 FHAB COc1cccc(N2CCN(c3ncnc4c3[nH]c3ccccc34)C[C@@H]2C)c1 6499395 PMQZKKLWAZWDDO-HNNXBMFYSA-N 373.460 3.835 0 40 FHAB CCOc1ccccc1NC(=O)c1nnn(-c2ccc(Cl)cc2)c1C 4511621 IOFVSQJTASWHAW-UHFFFAOYSA-N 356.813 3.880 0 40 FHAB CCOC(=O)N1CCC(NC(=O)c2ccccc2Oc2ccccc2)CC1 14200396 UCUNOUMIIMSUID-UHFFFAOYSA-N 368.433 3.830 0 40 FHAB CCc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)cc1 8529840 WBVBHAGDBNEWTA-HNNXBMFYSA-N 356.466 3.725 0 40 FHAB CCc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)cc1 8529842 WBVBHAGDBNEWTA-OAHLLOKOSA-N 356.466 3.725 0 40 FHAB COc1ccc2c(CSc3nncn3-c3ccccc3)cc(=O)oc2c1 4835182 JHZZOAIABUHGJM-UHFFFAOYSA-N 365.414 3.675 0 40 FHAB Cc1ccccc1-n1ncc2c(=O)n(Cc3ccc(F)cc3Cl)cnc21 6938461 GKWRQCHNGUPDNV-UHFFFAOYSA-N 368.799 3.731 0 40 FHAB Cc1ccccc1Cn1c(=O)n(-c2ccccc2C)c(=O)c2sccc21 67258031 HAENYNIRUQMSGY-UHFFFAOYSA-N 362.454 3.879 0 40 FHAB O=c1c2sccc2n(Cc2ccccc2F)c(=O)n1-c1ccccc1F 67258220 BKTCRDBOLKUBHV-UHFFFAOYSA-N 370.380 3.540 0 40 FHAB CCCO[C@H]1CCCN(c2cc(C(=O)NC3CC3)c3ccccc3n2)C1 67384652 ROBBZHVMILUMAK-INIZCTEOSA-N 353.466 3.522 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(C(F)(F)F)n1C 7198457 PXSJCAPSIZOUMR-VIFPVBQESA-N 368.384 3.987 0 40 FHAB Cc1ccc(NC(=O)c2nc(NCc3ccncc3)ncc2Cl)cc1 8845974 UCIHEWFMYZWOHY-UHFFFAOYSA-N 353.813 3.698 0 40 FHAB CCCCC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccc(CC)cc3)C2)s1 9224811 KNOMTWQSMKUNIA-AWEZNQCLSA-N 372.494 3.750 0 40 FHAB O=C(CNC(=O)c1sc2ccccc2c1Cl)Nc1ccccc1O 9256352 MUCYLTIIHKQKCF-UHFFFAOYSA-N 360.822 3.629 0 40 FHAB O=C1CCCCN1CC1CCN(Cc2cccn2Cc2cccs2)CC1 93532017 OQRGRPMJNDIUSC-UHFFFAOYSA-N 371.550 3.822 0 40 FHAB O=S(=O)(c1cccc(Cl)c1Cl)N(Cc1ccccn1)C1CC1 9367906 BUUZUCGQEDTUDL-UHFFFAOYSA-N 357.262 3.742 0 40 FHAB COC(=O)COc1ccc2occ(-c3ccc4c(c3)OCCCO4)c2c1 96222795 DAGXWDAHHRPOJX-UHFFFAOYSA-N 354.358 3.813 0 40 FHAB biogenic Cc1ccccc1OCC(=O)Nc1nn2cc(-c3ccccc3)nc2s1 9549117 ABFVAWOESCOYRI-UHFFFAOYSA-N 364.430 3.784 0 40 FHAB CCOC(=O)C1=C(C)N(CCc2cccs2)C(=O)N[C@@H]1c1ccccc1 71890894 MSKMIJQDLXQPAN-GOSISDBHSA-N 370.474 3.894 0 40 FHAB CC(=O)N1CCC(C(=O)NCc2cccc(Cl)c2)(c2ccccc2)CC1 9690851 RVSJAHBWRSDCKU-UHFFFAOYSA-N 370.880 3.537 0 40 FHAB CCc1[nH]c(C(=O)N(C)C2C3CC4CC(C3)CC2C4)c(C)c1C(=O)OC 95350690 OUPCPOJGCGZXOP-UHFFFAOYSA-N 358.482 3.569 0 40 FHAB CC(C)(C)c1n[nH]cc1CNc1cc2c(cc1Br)OCCO2 95981690 XNCHTGFHKFXVMB-UHFFFAOYSA-N 366.259 3.853 0 40 FHAB Cn1c(CNc2cccnc2OCC(F)F)nc2ccc(Cl)cc21 95980172 GJUXMYQDWQEDOF-UHFFFAOYSA-N 352.772 3.878 0 40 FHAB CCOC(=O)c1cc2cc(NC(=O)N3CCOC[C@H]3CC)ccc2s1 89949318 PBGFMOQDYHNTCN-CQSZACIVSA-N 362.451 3.721 0 40 FHAB CCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(Cl)cc1)C3 20632629 FRNWKNDSHLUMOE-LLVKDONJSA-N 358.854 3.802 0 40 FHAB O=C(COC(=O)CSc1ccccc1)Nc1ncc(Cl)cc1Cl 20890204 ZUZMIVBEMZEKTC-UHFFFAOYSA-N 371.245 3.662 0 40 FHAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1ccc(Br)s1 27821834 YZOHZBCTPBIBND-LBPRGKRZSA-N 365.296 3.767 0 40 FHAB C[C@H]1CN(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)[C@H](C)CO1 32801623 ISTMTRNLBWPCDX-ZQICTRMJSA-N 351.446 3.915 0 40 FHAB COc1ccc(C)cc1N1C[C@H](c2nc(CCC(C)(C)C)no2)CC1=O 508598870 JLWMCYLPJNSVBE-CQSZACIVSA-N 357.454 3.886 0 40 FHAB CC(C)c1nnc2n1CCN(C(=O)c1ccc(Cl)c3ncccc13)[C@H]2C 512704482 OZCSHWSIYITMDB-LBPRGKRZSA-N 369.856 3.820 0 40 FHAB COc1ccccc1CC(=O)Nc1ccc2[nH]c(-c3ccncc3)nc2c1 71283444 CXPOSXULTYQMML-UHFFFAOYSA-N 358.401 3.815 0 40 FHAB CCCOC(=O)c1cccc(NC(=O)[C@@]23CC[C@@](C)([C@H](O)C2)C3(C)C)c1 35026140 QVNARRIYMHAZFM-TYCQWZJGSA-N 359.466 3.769 0 40 FHAB Cc1nn(-c2ccc(NC(=O)c3ccncc3)cc2)c(C)c1Br 32611499 KKLXIGQGTAIAKD-UHFFFAOYSA-N 371.238 3.899 0 40 FHAB CC1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(C(F)(F)F)cc1 71979905 KOIBDXRJDYMCSH-CHHLVHLRSA-N 371.355 3.537 0 40 FHAB Cc1ccc(C2=NO[C@@H](CC3(C(=O)O)CCN(CC(C)C)CC3)C2)cc1 72389734 QBEROJFEABMQJI-GOSISDBHSA-N 358.482 3.701 0 40 FHAB Cc1cccc(Nc2cncc([C@H]3CCCN(C(=O)c4ccccc4)C3)n2)n1 72354327 RFBHFSCMAOMVEI-SFHVURJKSA-N 373.460 3.943 0 40 FHAB Cc1nn(C)c(C)c1CNC(=O)c1ccc2ccn(Cc3ccccc3)c2c1 72402257 NACVDKVSLSDMOA-UHFFFAOYSA-N 372.472 3.970 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)NCCCN2CCCc3ccccc32)cc1 218975423 OHAMXDVIOLSZMV-SFHVURJKSA-N 352.478 3.721 0 40 FHAB Cc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2)C1=O 210806348 KFBLLETVYUEKBF-LFIBNONCSA-N 352.415 3.670 0 40 FHAB COc1ccc(-c2nnc(NC(=O)Cc3ccc(OC)c(C)c3)s2)cc1 224944886 ZAXRIYQFGDXBTG-UHFFFAOYSA-N 369.446 3.712 0 40 FHAB O=C(O)COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 225519585 XAUGAOSBRWOQHM-UHFFFAOYSA-N 357.381 3.740 0 40 FHAB Cc1ccc(NC(=O)CSc2nccc(N3CCCC3)n2)cc1Cl 49399647 YYWQBQIMJZDPEB-UHFFFAOYSA-N 362.886 3.769 0 40 FHAB Cn1nc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)c2ccccc21 44836875 RRNLXEQGFTZGKS-UHFFFAOYSA-N 368.780 3.634 0 40 FHAB COc1cccc(OCCNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c1 224425599 QNYQDSYORUHGLK-KRWDZBQOSA-N 357.450 3.583 0 40 FHAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1ncccc1OC)CC(C)(C)O2 225684978 DBDAOZXCOKBMIW-AWEZNQCLSA-N 373.478 3.688 0 40 FHAB COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 222975990 PXARJTWEAWFTOP-CQSZACIVSA-N 355.434 3.989 0 40 FHAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 225015411 OJXYZJKQZMUHND-NRFANRHFSA-N 368.477 3.936 0 40 FHAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 225164001 XGFNVGSPOCNEKJ-OAQYLSRUSA-N 366.505 3.871 0 40 FHAB Cc1cccc(C)c1NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 225970847 PXPIAYVAPSLOEO-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB CCO[C@@](C)(CC)C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1 225650362 BFBBFILPLDMGKM-UTKZUKDTSA-N 362.514 3.941 0 40 FHAB C[C@H](CNC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1 224552894 CEDWAHGGSDNIFK-QGZVFWFLSA-N 354.469 3.958 0 40 FHAB CN(CC(=O)c1cccc(I)c1)Cc1ccccc1 95935038 CFLFTXIIXSLVEQ-UHFFFAOYSA-N 365.214 3.606 0 40 FHAB Cn1cc(CNC[C@H]2Cn3c(-c4ccccc4)cnc3CO2)c2ccccc21 96296462 NMWGYGZGDXZKEH-IBGZPJMESA-N 372.472 3.730 0 40 FHAB biogenic,in-vitro COCCn1cc(NC(=O)N2CC[C@H](C)C[C@@H]2c2ccccc2OC)cn1 585081620 ALAHUVXSIKHTPC-MAUKXSAKSA-N 372.469 3.543 0 40 FHAB CC(C)(C)c1cc(=O)n(Cc2cccc(C(=O)Nc3ccccc3)c2)cn1 585084842 VVJKINKIQOVYFD-UHFFFAOYSA-N 361.445 3.841 0 40 FHAB CC(C)n1nccc1-c1ccc(C[C@@H]2CCN(C(=O)C(C)(C)C)C2)cn1 257272101 NBBRHLFSLVEGPH-KRWDZBQOSA-N 354.498 3.963 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)N1CCC(Oc2ccncc2Cl)CC1 253472506 MVGJHLAHWOXKGQ-AWEZNQCLSA-N 360.841 3.572 0 40 FHAB CO[C@@](C)(CNS(=O)(=O)c1ccccc1Cl)c1cccc(Cl)c1 96392835 WFUMSLYPGQEDJD-INIZCTEOSA-N 374.289 3.834 0 40 FHAB CN(C)c1ccc(-c2ncn3c2[C@H](NC(=O)c2cccs2)CCC3)cc1 585110683 QCPVGFSOWMXCOL-MRXNPFEDSA-N 366.490 3.943 0 40 FHAB C[C@@H](Cn1ccnc1)NC(=O)Nc1cccc(OCc2cccc(F)c2)c1 48162722 DSHOEKKLJYRHTF-HNNXBMFYSA-N 368.412 3.811 0 40 FHAB C[C@@H](Oc1cccc(F)c1)C(=O)N[C@H](c1ccncc1)c1cccs1 19079765 HFCCQQAEYLARSR-FZKQIMNGSA-N 356.422 3.955 0 40 FHAB O=C1CCCC[C@]2(CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)N1 19372614 GMNIZGJNRKITNC-RBBKRZOGSA-N 352.453 3.854 0 40 FHAB COc1ccc(CN(C)C(=O)c2cc3ccc(N(C)C)cc3[nH]2)cc1OC 19585009 IFLWPTRSNJKXDG-UHFFFAOYSA-N 367.449 3.523 0 40 FHAB CC(C)(C)C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=O)Nc1ccc(F)cc1 4888245 FQSYCUVEBMMXKF-ALOPSCKCSA-N 361.461 3.905 0 40 FHAB O=C(N[C@@H](C(=O)O)c1ccco1)OCC1c2ccccc2-c2ccccc21 2580854 PCBMJTLDLJORMH-LJQANCHMSA-N 363.369 3.944 0 40 FHAB Cc1cc(-c2ccsc2)nc(C2CCN(C(=O)c3ccncc3)CC2)n1 19118627 FEGFGRDIPBALFT-UHFFFAOYSA-N 364.474 3.928 0 40 FHAB C[C@H](CC[C@]1(C)[C@H](C)CC[C@]2(C)C(C(=O)O)=C[C@H](O)C[C@@H]21)CC(=O)O 253389952 WKLBQXBQKCRIRS-KNQUZGJASA-N 352.471 3.712 0 40 FHAB biogenic,in-vitro COc1cccc(/C=C/C(=O)OCc2cc(=O)oc3cc(C)ccc23)c1 6886914 TUNZRMFMKMPCFB-VQHVLOKHSA-N 350.370 3.867 0 40 FHAB CCOc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(=C2CC2)C3)cc1F 1776009415 ZRGFJXLPHGHBGI-GJZGRUSLSA-N 351.443 3.630 0 40 FHAB Cc1ccc(O[C@@H]2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)nc1 238814724 BEEGKCLCHAKUHS-MRXNPFEDSA-N 364.367 3.631 0 40 FHAB CC(=O)NC(=O)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(C)cc1 4173973 UNDFJMODBXESRQ-QOCHGBHMSA-N 354.793 3.903 0 40 FHAB COc1ccc(-c2cccc(NS(=O)(=O)c3cc(C)cc(C)c3)c2)nn1 4320265 QQNAJQYTGVIHND-UHFFFAOYSA-N 369.446 3.570 0 40 FHAB CC(C)C(=O)N1CCCc2ccc(NC(=O)COc3ccc(F)cc3)cc21 5136412 CZPLMEJUZUTDQT-UHFFFAOYSA-N 370.424 3.778 0 40 FHAB Cc1c(Cl)ccc2sc(N3CCN(C(=O)C(C)(C)C)CC3)nc12 5240058 FLBICUDMEKFWLV-UHFFFAOYSA-N 351.903 3.953 0 40 FHAB O=C(Cc1csc(SCc2ccc(F)cc2)n1)NCc1ccncc1 8854195 GLHFGEKTTJKFCX-UHFFFAOYSA-N 373.478 3.828 0 40 FHAB COc1cccc2s/c(=N/C(=O)c3ccc(OC(C)C)cc3)n(C)c12 100846711 YYLNSVWYGQAYPL-FMQUCBEESA-N 356.447 3.777 0 40 FHAB CCCc1nnc(SCCCOc2c(C=O)cccc2OC)n1CC 8731765 XQMWREXYXHTXJU-UHFFFAOYSA-N 363.483 3.633 0 40 FHAB COc1ccc(OCc2nnc3sc(-c4ccccc4F)nn23)cc1 10312280 JUASYJSMBZJPKC-UHFFFAOYSA-N 356.382 3.580 0 40 FHAB COc1cc(OC)c(NC(=O)NCCCOCc2ccco2)cc1Cl 40024044 UQVXDAXRFXNKLC-UHFFFAOYSA-N 368.817 3.679 0 40 FHAB COC(=O)c1cc(NC(=O)CCOc2ccc(Cl)cc2)ccc1F 40106492 LSRDAAUSRPRNLX-UHFFFAOYSA-N 351.761 3.673 0 40 FHAB CCCOc1ccccc1NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 40129837 OIJUMEOMBACSBT-CQSZACIVSA-N 374.872 3.774 0 40 FHAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccc2nccnc2c1 40146242 OOCSFRMZRYQOEB-UHFFFAOYSA-N 371.322 3.637 0 40 FHAB CCN1CCC[C@H](NC(=O)c2cccc(OCc3ccc(F)cc3)c2)C1 40157631 HBOWMRUGUMLAJO-IBGZPJMESA-N 356.441 3.619 0 40 FHAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1nncs1 100918328 WSVNJVYJNVTLQN-UZXYAUHMSA-N 356.289 3.601 0 40 FHAB O=C(COC(=O)c1cccc(Cl)c1)NCc1cccc(C(F)(F)F)c1 51356159 AFJFUWPOWJZZJU-UHFFFAOYSA-N 371.742 3.832 0 40 FHAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1cnn(Cc2cccc3ccccc23)c1 17074119 FNXRBVMSIWJZAW-WOJBJXKFSA-N 359.429 3.764 0 40 FHAB CN(CCCOc1ccc(F)cc1)Cn1nc(C(C)(C)C)[nH]c1=S 29586239 OEPAGYNBRAPSGX-UHFFFAOYSA-N 352.479 3.736 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 806741 CVNMKAZQYMQZGT-MRXNPFEDSA-N 352.434 3.694 0 40 FHAB O=C(Nc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1)c1ccco1 851940 KPPIPZGDNTYGHC-UHFFFAOYSA-N 374.352 3.891 0 40 FHAB Cc1cc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)nc(C(C)C)n1 29709464 HBGIQORUICXPOL-UHFFFAOYSA-N 373.570 3.985 0 40 FHAB C[C@H]1CCc2c(sc3nc(CN(C)Cc4ccccc4F)[nH]c(=O)c23)C1 2650400 XWSOICMOQNZENK-LBPRGKRZSA-N 371.481 3.881 0 40 FHAB CCN(CC)Cc1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 6629886 ZSYBCPGTIBTQGZ-UHFFFAOYSA-N 359.470 3.794 0 40 FHAB CCOC(=O)C[C@@]1(c2ccc(OC)cc2)NN=C(c2ccc(C)cc2)S1 6955167 ZIGXSJBTURXCSS-HXUWFJFHSA-N 370.474 3.808 0 40 FHAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccc(O)cc2)C[C@@H](c2ccccc2O)C1 102566889 DXCDFXMMCZNKDJ-XCLFUZPHSA-N 374.400 3.755 0 40 FHAB COc1ccc(OCC(=O)OCC(=O)c2ccc3ccccc3c2)cc1 10317869 DXCLVEYDRIYZAR-UHFFFAOYSA-N 350.370 3.653 0 40 FHAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(-c2ccccc2)on1 11905227 LSOOXDRCTVHGOG-QGZVFWFLSA-N 351.406 3.502 0 40 FHAB CCOC(=O)N[C@H](C(=O)N(C)Cc1ccc2cc(OC)ccc2c1)C(C)C 32911710 XTDPVTOPMPONMS-IBGZPJMESA-N 372.465 3.578 0 40 FHAB COc1ccc(C(=O)NC(=S)Nc2cc(Cl)ccc2C)c(OC)c1 8071872 ZOHMRAIQUDBPSM-UHFFFAOYSA-N 364.854 3.792 0 40 FHAB O=C(NC1CCCCC1)c1cccc(NS(=O)(=O)c2ccccc2)c1 8202156 IOJWVIQQEAWZQP-UHFFFAOYSA-N 358.463 3.550 0 40 FHAB O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCC[C@@H](C(F)(F)F)C1 37133109 CHKYTHWOIQJBCR-HZRUHFOJSA-N 355.356 3.662 0 40 FHAB CCN(Cc1ccccc1)[C@@H](c1ccccn1)c1nnnn1C(C)(C)CC 57710503 NJNJUICIRCEDCM-IBGZPJMESA-N 364.497 3.825 0 40 FHAB O=C1OC(c2ccccc2)=N/C1=C(\Sc1ncccn1)c1ccccc1 721712 VUDYTRRZTOWZAE-MSUUIHNZSA-N 359.410 3.941 0 40 FHAB CCN(Cc1ccc(OC)c(F)c1)C(=O)CCc1nc2ccccc2[nH]1 24155004 MLIKIVVOMFYKIS-UHFFFAOYSA-N 355.413 3.692 0 40 FHAB CC[C@@H]1[N+]2=C(CCC2)N(c2ccc(OC)cc2)[C@@]1(O)c1ccc(Cl)cc1 28629565 UGZKPJFRUKYGMV-PZJWPPBQSA-N 371.888 3.997 0 40 FHAB Cc1cc2nnc(SCC(=O)NCc3cccs3)n2c2ccccc12 944674 HUIOOPFCCLTVBX-UHFFFAOYSA-N 368.487 3.661 0 40 FHAB CO[C@H](C)c1cccc(NC(=O)c2nn(-c3ccccc3F)cc2O)c1 104887076 AKNZEEXTOAGCKK-GFCCVEGCSA-N 355.369 3.677 0 40 FHAB Cc1ccnn1-c1ccc(C(=O)NCC2(N(C)C)CCCCCC2)cc1 23798395 LMQKJBFKVRZOPP-UHFFFAOYSA-N 354.498 3.565 0 40 FHAB Cc1noc(C)c1COC(=O)CCc1c(C)nn(-c2ccccc2)c1C 24276119 WDUROXZSWQDYGK-UHFFFAOYSA-N 353.422 3.770 0 40 FHAB COc1ccc([C@H]2CCCCCN2C(=O)c2c[nH]c(=O)c(Cl)c2)cc1 55069624 QODZULAUNIQCEF-QGZVFWFLSA-N 360.841 3.794 0 40 FHAB CC(C)(CN1CCCC1)CN1[C@H]2CC[C@H]1CC(O)(c1ccccc1F)C2 100763484 LKHAVFFYQQRAJM-ROUUACIJSA-N 360.517 3.762 0 40 FHAB CNC(=O)c1ccc(CNCC2(c3ccccc3Cl)CCOCC2)cc1 106251549 KCMHPYIJUBSLTE-UHFFFAOYSA-N 372.896 3.538 0 40 FHAB C[C@@H](OC(=O)c1c[nH]nc1-c1ccccc1)C(=O)c1c[nH]c2ccccc12 25048514 ZWFAPIDEYMNJIW-CYBMUJFWSA-N 359.385 3.986 0 40 FHAB C[C@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccccc1 56526714 HOOKJFGXXBVZGW-LBPRGKRZSA-N 365.355 3.532 0 40 FHAB CCN(c1ccc(NC(=O)c2[nH]c(C)c(C(=O)OC)c2C)cc1)C(C)C 12551515 JSSZYDGVAFYUMX-UHFFFAOYSA-N 357.454 3.905 0 40 FHAB Cc1ccc(C(=O)N2CCC(NC(=O)[C@@H](C)c3ccccc3F)CC2)cc1 108993814 RUQXGOYHXMLELK-INIZCTEOSA-N 368.452 3.659 0 40 FHAB Cc1ccc(CNC(=O)c2nnc(CN(C(C)C)C3CCC3)s2)cc1 77358992 WUSBUJQSJPFMTR-UHFFFAOYSA-N 358.511 3.539 0 40 FHAB Cc1ccc(S(=O)(=O)n2ccc3c(Br)cccc32)cc1 113981454 LLWDHSQCZPPQDY-UHFFFAOYSA-N 350.237 3.949 0 40 FHAB CCOc1ccc2nc(SCc3cc(=O)n4c(C)cccc4n3)[nH]c2c1 12538736 QRSRYIVQPBFYFM-UHFFFAOYSA-N 366.446 3.570 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCc2sccc2C1 10341374 UWWDJUQTQVFWPY-NSHDSACASA-N 350.871 3.795 0 40 FHAB CC[C@@H](C)Nc1nnc(S[C@@H](C(=O)NC2CC2)c2ccccc2)s1 10769124 KNWLQSJBVVWZMP-BXUZGUMPSA-N 362.524 3.861 0 40 FHAB CCCCOC(=O)c1ccc(NC(=O)CSc2nc(C)cc(C)n2)cc1 28425366 IMFAXZWVGMZRTK-UHFFFAOYSA-N 373.478 3.781 0 40 FHAB O=C1CCCN1CCOC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 12614716 BQYXUXYGLLNPNH-WVKNIADZSA-N 367.489 3.690 0 40 FHAB CCN(C(=O)CN1C(=O)CSc2ccccc21)c1cc(C)ccc1C 45517222 TVCDDASHSHEBCV-UHFFFAOYSA-N 354.475 3.795 0 40 FHAB CC(=O)OCCn1c(-c2ccccc2)nc(=S)c2c1CC(C)(C)OC2 2423658 KQKCPPUEVVIVBL-UHFFFAOYSA-N 358.463 3.694 0 40 FHAB COc1ccc([C@@H](NC(=O)NC2CCCCCCC2)c2nccn2C)cc1 45860804 OTALQSDTRKRZBU-LJQANCHMSA-N 370.497 3.930 0 40 FHAB CCn1c(S[C@@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)nnc1-c1ccccc1 12846424 NYTFZGNWDCQGAY-XHSDSOJGSA-N 372.538 3.950 0 40 FHAB COC(=O)c1cccc(OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 12907205 SVHOYWHSYUYQJP-HNNXBMFYSA-N 363.413 3.883 0 40 FHAB Cc1noc(C)c1COc1ccc(C(=O)NCc2ccc(F)cc2)cc1 5062623 OKTYEABDXXDBOB-UHFFFAOYSA-N 354.381 3.940 0 40 FHAB CSc1nc(C)c(CCC(=O)Nc2cccc3ncccc23)c(C)n1 14069653 UKBICISNJUVFDN-UHFFFAOYSA-N 352.463 3.935 0 40 FHAB Cc1cccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(F)cc2)c1 4544009 FYSACLIXHNPDSS-UHFFFAOYSA-N 357.381 3.669 0 40 FHAB COc1cc(C2=N/C(=C\c3ccccc3Cl)C(=O)O2)cc(OC)c1OC 4588151 PRYHFOGOWXTLPC-ZSOIEALJSA-N 373.792 3.710 0 40 FHAB Cc1cc(N2CCO[C@@H](c3cccc(F)c3)C2)nc(-c2ccncc2)n1 66814625 QEUKSHAVWYIOIZ-GOSISDBHSA-N 350.397 3.564 0 40 FHAB CSc1ncc(C(=O)NOCc2ccccc2)n1-c1ccc(F)cc1 25039374 JZOVHXJREQWTEB-UHFFFAOYSA-N 357.410 3.595 0 40 FHAB O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1F 7055967 YCFGLEZNYAWJJJ-UHFFFAOYSA-N 353.268 3.664 0 40 FHAB CSc1ncccc1C(=O)OCc1nc(-c2ccc(Cl)cc2)no1 7424288 UCDWLYBYLMMVBG-UHFFFAOYSA-N 361.810 3.864 0 40 FHAB O=C(N[C@H](NCc1ccco1)C(Cl)(Cl)Cl)c1cccs1 19316235 PBJJCGADGVVDSB-NSHDSACASA-N 353.658 3.557 0 40 FHAB CSc1cccc(NC(=O)Cn2ccc3c(NC(C)=O)cccc32)c1 96117757 XDATUUDFIONRRB-UHFFFAOYSA-N 353.447 3.960 0 40 FHAB CN(c1ccc(-c2csc(COc3ccccc3)n2)cc1)S(C)(=O)=O 8042367 JCBUZHGZIZEEIQ-UHFFFAOYSA-N 374.487 3.785 0 40 FHAB COc1ccc(/C=C2/N=C(c3cccc(OC(F)F)c3)OC2=O)cc1C 96935614 MCEZYVGLBXPSCI-OQLLNIDSSA-N 359.328 3.950 0 40 FHAB COCCCOc1cccc(NC(=O)CCc2ccc(OC)c(F)c2)c1 83902634 DZLFFODCESBFBN-UHFFFAOYSA-N 361.413 3.821 0 40 FHAB FC(F)(F)c1ccc([C@@H]2CCCC[C@H]2Nc2ccc3nnnn3n2)cc1 72310225 KZPGUSVUJKSBJT-UONOGXRCSA-N 362.359 3.676 0 40 FHAB O=C(Cc1ccc2c(c1)OCC2)NCCc1c[nH]c2ccc(Cl)cc12 79190781 RZZCFOSPCRTZGJ-UHFFFAOYSA-N 354.837 3.658 0 40 FHAB biogenic Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cc(Br)ncc2F)c1 95465667 OEQUBOBZEZRTMF-GFCCVEGCSA-N 365.246 3.961 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)c(Cl)c1 95947489 HUSXLEZMQSIYNZ-INIZCTEOSA-N 360.866 3.802 0 40 FHAB c1ccc(CCNC2=NN=C(C34CC5CC(CC(C5)C3)C4)CS2)nc1 95961591 GKDIDZDSOKQUQY-UHFFFAOYSA-N 354.523 3.889 0 40 FHAB CO[C@@H]1CCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@H](C)S[C@H](C)C1 1555135579 GHCSXIGPCMURMC-QKPAOTATSA-N 352.548 3.547 0 40 FHAB COc1ccc([C@H](C)NC(=O)c2ccc(Cc3c(C)noc3C)o2)cc1 28243891 UFTPGGILDMONTM-LBPRGKRZSA-N 354.406 3.975 0 40 FHAB CCc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 408707796 MAQNLABRDIIDFE-INIZCTEOSA-N 356.853 3.572 0 40 FHAB c1csc(-c2ccc3c([C@H]4CN(Cc5ccoc5)CCO4)nnn3c2)c1 306141373 VTIGKTXBKOZGKB-QGZVFWFLSA-N 366.446 3.624 0 40 FHAB COc1ccc(O)c(NC(=S)NC(=O)c2ccc(OCC(C)C)cc2)c1 408628750 WYBOKAQWWGYJBZ-UHFFFAOYSA-N 374.462 3.562 0 40 FHAB Cc1nc(C)c2c(C)c(C(=O)N(C)CCOc3ccccc3F)sc2n1 36718472 JQESKZSTMICQQM-UHFFFAOYSA-N 373.453 3.907 0 40 FHAB Cc1cc(C(=O)N2CCOC[C@H](Oc3ccccc3)C2)c(C(F)(F)F)o1 77265659 NWVPXNOLGYEQPI-CQSZACIVSA-N 369.339 3.527 0 40 FHAB biogenic,in-vitro C[C@@H]1CCC[C@H]2C1=NN(C(=O)c1cccc(Cl)c1)[C@]2(O)C(F)(F)F 409173060 LGSYHAFFMJJPAV-MURWCNHISA-N 360.763 3.839 0 40 FHAB Cc1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Br)cc1C 35684121 XCSYVZHIKKHYJR-UHFFFAOYSA-N 371.238 3.899 0 40 FHAB O=C(Nc1nc2c(s1)CN(C(=O)[C@H]1CC=CCC1)CC2)c1cccs1 70638644 VNYGZCOUPDOALQ-LBPRGKRZSA-N 373.503 3.698 0 40 FHAB COc1ccc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1OC 219850237 FCUCSEGPIRSNIN-UHFFFAOYSA-N 354.450 3.867 0 40 FHAB CS(=O)(=O)c1cccc(OCc2coc(-c3cccc(Cl)c3)n2)c1 47363379 HJYISRBVAROCST-UHFFFAOYSA-N 363.822 3.978 0 40 FHAB CC(C)CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1 222764100 JOGXFCVQVURRCN-IBGZPJMESA-N 366.505 3.809 0 40 FHAB CCOCc1cc(C(=O)Nc2ccc(OC)cc2OC)ccc1OCC 224696852 OFAVBIJPIPQECG-UHFFFAOYSA-N 359.422 3.891 0 40 FHAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(C)c1)c1ccc(OC)c(C)c1 225859701 RWUVTKGSAGHLQB-KRWDZBQOSA-N 363.479 3.750 0 40 FHAB CCOc1ccc(-c2noc(CNC(=S)Nc3ccccc3F)n2)cc1 225831366 KMUIHFUWLMLLBA-UHFFFAOYSA-N 372.425 3.761 0 40 FHAB Nc1cc(NC(=O)c2ccccc2Br)ccc1N1CCCC1 226266947 MDOPOWDPPHUZAW-UHFFFAOYSA-N 360.255 3.884 0 40 FHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222694124 QXLUQDHXHZMGIU-RDTXWAMCSA-N 371.433 3.501 0 40 FHAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)Nc1nc3c(s1)C[C@@H](C)CC3)[C@@H]2C(=O)O 226563806 QMRSLUGJUPOTJO-NDQFFAJQSA-N 374.506 3.900 0 40 FHAB COc1ccccc1N1CCN(C(=O)CCCSc2ccccc2)CC1 40159874 JWQIMCHOJSXUHQ-UHFFFAOYSA-N 370.518 3.916 0 40 FHAB COc1ccc(O[C@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 224155832 RPBDTSQVCIHBTB-MRXNPFEDSA-N 371.477 3.955 0 40 FHAB C[C@@H]1C[C@H](C(=O)NC2(c3ccc(C(F)(F)F)cc3)CCCC2)CC(=O)N1 571366262 SDAUDXFXTXIICE-OLZOCXBDSA-N 368.399 3.506 0 40 FHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1cccc(C)n1 225688732 VGNOUYMPZYKMJB-HNNXBMFYSA-N 357.479 3.987 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(F)cc2F)cc1 225266115 PSQZUNKFGUYQAI-LLVKDONJSA-N 352.406 3.727 0 40 FHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1 225455104 OMDUWNASZXWPET-GOSISDBHSA-N 352.478 3.561 0 40 FHAB COc1ccccc1-c1n[nH]c(NC(=O)CCc2c[nH]c3ccccc23)n1 48012129 CFDLQMZLXBRJPV-UHFFFAOYSA-N 361.405 3.533 0 40 FHAB CC(C)CSc1nnc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)s1 225181409 BJGZMXBWIQJKPM-SNVBAGLBSA-N 355.460 3.831 0 40 FHAB O=C(Cn1ccc2c(Cl)cccc21)NCCc1nc2ccccc2[nH]1 96116887 JMVFVUGHFXVKOZ-UHFFFAOYSA-N 352.825 3.530 0 40 FHAB CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(Br)cc1F 96171079 MQTGWEFHWYVJSF-UHFFFAOYSA-N 366.296 3.891 0 40 FHAB COc1ccc(CC(=O)N[C@H]2CCCc3c2[nH]c2ccc(OC)cc32)cc1 96222426 ITQLXRLTCONJTI-FQEVSTJZSA-N 364.445 3.921 0 40 FHAB biogenic O=C(O)C[C@@H](NC(=O)c1cccc2c1OCO2)c1cccc2ccccc12 1602104996 DGWHKYRWMBAGPU-QGZVFWFLSA-N 363.369 3.514 0 40 FHAB CSc1ccc(CC(=O)N2CC(Oc3nc4ccccc4s3)C2)cc1 90594044 GZNGLVOKQODPKZ-UHFFFAOYSA-N 370.499 3.851 0 40 FHAB CCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)CC(C)C)C2 585106891 KNEPFVSPHUILMP-NRFANRHFSA-N 352.482 3.576 0 40 FHAB O=C(NCCSCc1cccs1)Nc1cccnc1N1CCCC1 48172342 OBBNCVAESXLDQN-UHFFFAOYSA-N 362.524 3.798 0 40 FHAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc2c(C)cc(=O)oc2c1 57628667 PCGZYSUOAYLZCP-UHFFFAOYSA-N 367.449 3.752 0 40 FHAB Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(C)c3C)n2)cc1C 5401543 VUGRXCSTBJEMSX-UHFFFAOYSA-N 361.445 3.783 0 40 FHAB CC(C)(CN1CCCC1)CN1[C@H]2CC[C@@H]1CC(O)(c1ccc(F)cc1)C2 12219975 PMXVSZGZRAMYHV-RLAPIPATSA-N 360.517 3.762 0 40 FHAB COc1ccc(CN2C(=S)N[C@H]3C[C@]2(C)Oc2c(OC)cccc23)cc1 12415954 MSJOYHFZLFADIA-JXFKEZNVSA-N 370.474 3.634 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1ccc(C)c(C)c1 14796216 SUZGBIIUAOBMQK-MRXNPFEDSA-N 354.450 3.849 0 40 FHAB Cn1c(=O)sc2cc(NC(=O)c3ccc(Br)cc3)ccc21 15865060 ABECHDZKANCLJU-UHFFFAOYSA-N 363.236 3.615 0 40 FHAB Cc1nn(C)cc1[C@@H](C)NC(=O)c1c(-c2ccc(Cl)cc2)noc1C 19666719 GECJWXUFNMTESM-SNVBAGLBSA-N 358.829 3.836 0 40 FHAB CC(=O)NC(=S)Nc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 6238382 ATGNAMHGWRBGLC-NYYWCZLTSA-N 373.865 3.825 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC)cc1 6323122 DTGBKTCDUWIFME-SDNWHVSQSA-N 352.434 3.877 0 40 FHAB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccco1 6323744 KPWDFNIIFDXDHZ-YBFXNURJSA-N 374.238 3.977 0 40 FHAB Cc1cccc(OC[C@H]2CCCN(c3cc(C(F)(F)F)nc(C)n3)C2)n1 1888853045 WVUGZBZBQCMLKS-AWEZNQCLSA-N 366.387 3.803 0 40 FHAB Cc1ccc(-c2noc(CSCC(=O)NCc3cccs3)n2)cc1 28908447 WUDYNOZDBQTUDF-UHFFFAOYSA-N 359.476 3.656 0 40 FHAB O=C(COc1ccc(Cl)cc1)Nc1cc2c3c(c1)CCC(=O)N3CCC2 5154021 OEEKHAUWVQKRIM-UHFFFAOYSA-N 370.836 3.583 0 40 FHAB O=C(Cc1csc(SCc2ccc(F)cc2)n1)NCc1ccccn1 8853987 KWQBPNPGDLINNV-UHFFFAOYSA-N 373.478 3.828 0 40 FHAB COc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccccc1SC 12444027 MCNITNMUHZWACT-UHFFFAOYSA-N 357.410 3.994 0 40 FHAB CCOc1nc(C)c(NC(=O)Nc2cc(Cl)ccc2OC)c(C)n1 206719873 XHWSSNPYPSJAIF-UHFFFAOYSA-N 350.806 3.798 0 40 FHAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(C(F)(F)F)cc1 40040505 FTUHEQJRUFTDBZ-SNPRPXQTSA-N 355.356 3.652 0 40 FHAB CC(C)S(=O)(=O)c1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 40128017 OPDGGRGYFHVFJO-UHFFFAOYSA-N 361.507 3.567 0 40 FHAB COc1ccc(CN(C)C(=O)NCc2nc3ccccc3s2)cc1OC 29677087 GRCYVGNQUCWHLW-UHFFFAOYSA-N 371.462 3.655 0 40 FHAB O=C(O)c1c(C[C@@H](Cc2ccc3c(c2)CCC3)C(=O)O)ccc2c1CCC2 1646082 GGQQTWKCZLHUPJ-LJQANCHMSA-N 364.441 3.848 0 40 FHAB CCOC(=O)CN(C(=O)CSc1ccc(F)cc1)c1ccc(F)cc1 8230563 UWBCDVFTIUIWIT-UHFFFAOYSA-N 365.401 3.653 0 40 FHAB O=S(=O)(Cc1nc(-c2ccc(F)cc2)no1)[C@@H]1CCCc2ccccc21 52436508 ILYLXRMWYRBKRO-QGZVFWFLSA-N 372.421 3.868 0 40 FHAB CC(C)c1ccc([C@@H](NC(=O)CCCNC(N)=O)c2cccs2)cc1 32845487 XXGIVLJXGPLHFD-GOSISDBHSA-N 359.495 3.526 0 40 FHAB Cc1ccc(-n2ncc3c(=O)n(Cc4ccc(Cl)cc4)cnc32)cc1C 4475809 AQMCJZWBMZZXLV-UHFFFAOYSA-N 364.836 3.901 0 40 FHAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)Nc1ccc(N2CCCC2)nc1 29982690 WDMTZWUGCKGQKO-ZZXKWVIFSA-N 371.824 3.716 0 40 FHAB CC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc3c(c2)CCCC3)c1 4927411 DTPVWHNTYVWZKC-UHFFFAOYSA-N 351.402 3.564 0 40 FHAB Cc1ccc(OCC(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)c(C)c1 6501591 UFZPEUPBYVKEBK-UHFFFAOYSA-N 372.534 3.642 0 40 FHAB Cc1cccc(N2CCN(C(=O)[C@H](C)Oc3ccc(F)cc3)CC2)c1C 7504847 ZPWJEZQTFWIZCS-KRWDZBQOSA-N 356.441 3.559 0 40 FHAB COc1cc(CNn2cn[nH]c2=S)ccc1OCc1ccccc1C 7601212 RIYACUMTRRCPTM-UHFFFAOYSA-N 356.451 3.580 0 40 FHAB O=C(NCc1ccnc(OC2CCCC2)c1)C1(c2ccc(F)cc2)CC1 41398149 MBLFSNCEUXIULU-UHFFFAOYSA-N 354.425 3.890 0 40 FHAB COCc1c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)oc2ccccc12 8343127 ZIGMVPRVLUQYBK-KRWDZBQOSA-N 368.433 3.739 0 40 FHAB CN1CCN(Cc2ccccc2C(=O)c2cccc(C(F)(F)F)c2)CC1 22028226 LMRIBRRHMMMLGD-UHFFFAOYSA-N 362.395 3.684 0 40 FHAB Cc1nn(Cc2cccc(C(=O)NCc3ccncc3)c2)c(C)c1Cl 28576001 YVHPNIFAEYOMLY-UHFFFAOYSA-N 354.841 3.527 0 40 FHAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C2 102889002 DCTHVLSDKDXVPO-RVZJWNSFSA-N 371.449 3.628 0 40 FHAB CCOc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CN)CC1 100750299 XQPLZJZQYOWTNX-LLGFUMIMSA-N 367.493 3.717 0 40 FHAB O=C(NCCc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1Cl 9235006 CWIIHUWIYVUFDL-UHFFFAOYSA-N 371.651 3.944 0 40 FHAB CCOc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc(C)cc4)C3)n2)cc1 12416172 WRKYDSWVLAUPDP-INIZCTEOSA-N 363.417 3.964 0 40 FHAB CCc1cc(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)sc1C 24110319 SOKAGDFORXSXAC-UHFFFAOYSA-N 370.518 3.788 0 40 FHAB COc1ccc(-n2ccc(C(=O)N[C@H]3CCSc4ccccc43)n2)cc1 55129293 GAMOHOORRZVNRQ-KRWDZBQOSA-N 365.458 3.848 0 40 FHAB COC(=O)c1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)s1 24692139 IZSMDBBPZKCNOV-GFCCVEGCSA-N 370.430 3.696 0 40 FHAB Cc1cccc(N2CCN(Cn3nc(NC(C)C)sc3=S)CC2)c1 12534378 LVZHBXHEDAAUAB-UHFFFAOYSA-N 363.556 3.583 0 40 FHAB Cc1c(C(=O)N(C)c2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 12537713 BWKGXERVKMVTCG-UHFFFAOYSA-N 360.339 3.871 0 40 FHAB CC(=O)Nc1cccc(-n2c(SCc3cccnc3)nnc2C2CC2)c1 26143871 OYOZZOMCFHJTTL-UHFFFAOYSA-N 365.462 3.790 0 40 FHAB COC(=O)c1ccc(OCC(=O)c2cc(C)c(C)c(C)c2C)c(OC)c1 27314986 BLINABHZCGBLCK-UHFFFAOYSA-N 356.418 3.977 0 40 FHAB COc1ccccc1NC(=O)CN1CCC(c2c[nH]c3ccccc23)CC1 10139769 SXAYAFYRJRESJP-UHFFFAOYSA-N 363.461 3.995 0 40 FHAB C[C@@H]1CC(=O)c2cn3nc(SCc4cccc(Cl)c4)nc3nc2C1 20632351 KMSXLNFMHBTTCT-JTQLQIEISA-N 358.854 3.835 0 40 FHAB Cc1csc(CCNC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)n1 58227337 MYUVZEOSCBIIDA-ZIAGYGMSSA-N 365.296 3.676 0 40 FHAB C[C@@H](NC(=O)c1cc(=O)c2ccccc2o1)c1nc(-c2ccccc2)c[nH]1 58227139 KKKDPBXOFZTAJA-CYBMUJFWSA-N 359.385 3.674 0 40 FHAB Cc1nn(-c2ccccn2)c2c1[C@@H](c1cccc(O)c1)SCC(O)=N2 44921720 BCIINBQUODJJNZ-QGZVFWFLSA-N 352.419 3.706 0 40 FHAB O=C(NCCCOC[C@H]1CCCO1)Nc1ccc(-c2nccs2)cc1 58393821 NTCCQDCSAYIMOD-MRXNPFEDSA-N 361.467 3.517 0 40 FHAB O=C(c1cc(Br)c[nH]1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 48288321 DKYPIFKRPIJZNH-CQSZACIVSA-N 359.227 3.631 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 10628809 FLYGTURDCMZYAB-QGZVFWFLSA-N 355.463 3.706 0 40 FHAB CCCN(Cc1ccccc1)Cc1nc(N)nc(Nc2ccccc2C)n1 58755638 KYEUPYPKCBBNLP-UHFFFAOYSA-N 362.481 3.918 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)c1 11003249 KFGZDHYMFDEATG-UHFFFAOYSA-N 363.797 3.771 0 40 FHAB O=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1ccccc1Cl 48344671 HUJQIWRIJUCTFS-GFCCVEGCSA-N 373.758 3.529 0 40 FHAB CCCc1nc2sc3c(NCCO)nc(SC)nc3c2c2c1CCC2 2413523 RCMMPTBYVMBEEO-UHFFFAOYSA-N 374.535 3.807 0 40 FHAB Cc1nc(CSc2ccccc2C(=O)NCc2ccccc2F)no1 12824901 BQAZUSYCPBETFJ-UHFFFAOYSA-N 357.410 3.739 0 40 FHAB Cc1ccc(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1F 12815699 AHPXMEOBCCXNRR-SFHVURJKSA-N 368.408 3.784 0 40 FHAB COc1ccc2cc(CN(C)CCC(=O)Nc3cc(C)on3)ccc2c1 12852698 YXHJVZGOTHIIBT-UHFFFAOYSA-N 353.422 3.605 0 40 FHAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccc(CSC)cc1 3422844 MMPNOUPXHZAKEN-UHFFFAOYSA-N 372.490 3.659 0 40 FHAB CCCCn1c(S(=O)(=O)Cc2nc3ccccc3nc2C)nc(C)c1C 63870562 QEAHEBCDTOKBLV-UHFFFAOYSA-N 372.494 3.526 0 40 FHAB O=C(OCc1cc(=O)n2ccccc2n1)c1ccccc1Oc1ccccc1 18035288 IZYUGJQEYCCUGD-UHFFFAOYSA-N 372.380 3.844 0 40 FHAB CC(C)N1C(=O)[C@@](O)(CC(=O)c2ccc(-n3cccc3)cc2)c2ccccc21 4122638 DZBHXBGFNDFBCX-HSZRJFAPSA-N 374.440 3.693 0 40 FHAB CCOC(=O)NC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12 6066001 OXMGIGANHONKAN-UHFFFAOYSA-N 357.193 3.502 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc3ccccc3o2)c1C 4332084 NKWLSICZSGYYQP-UHFFFAOYSA-N 369.373 3.594 0 40 FHAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1cccn1C 39975784 VAVLBOJFYCAMMR-UHFFFAOYSA-N 370.884 3.812 0 40 FHAB CCOc1cc([C@@H]2NC[C@@H](C(=O)O)S2)ccc1OCc1cccc(C)c1 408979225 QFEZADUJHWUJAC-RBUKOAKNSA-N 373.474 3.761 0 40 FHAB Cc1ccc(-c2nc(-c3ccc(CCNS(C)(=O)=O)cc3)cs2)cc1 14102958 KIEQEKWKEVROAJ-UHFFFAOYSA-N 372.515 3.877 0 40 FHAB COc1ccc([C@@H](NCc2nnnn2-c2ccccc2)c2ccccc2)cc1 14169623 SKPCPIDOAQCDJK-QFIPXVFZSA-N 371.444 3.550 0 40 FHAB Cc1cc(C)n2nc(SCc3nc(-c4ccc(C)c(F)c4)no3)nc2n1 14196544 OEPNSTFELFAXPV-UHFFFAOYSA-N 370.413 3.531 0 40 FHAB CCc1ccc(C(=O)COC(=O)c2cccc(NC(=O)C(C)C)c2)cc1 4593269 XYXIFVFRAFJUQE-UHFFFAOYSA-N 353.418 3.883 0 40 FHAB Cc1c([C@@H](C)NC(=O)Nc2ccc3c(c2)C(=O)NC3=O)oc2ccccc12 65803320 KCJDOVWUWJZASA-LLVKDONJSA-N 363.373 3.508 0 40 FHAB O=C(O)c1ccc(S(=O)(=O)N(Cc2ccccc2)C2CCCCC2)cc1 5501470 NZHYPLCYDLPGEP-UHFFFAOYSA-N 373.474 3.908 0 40 FHAB O=C(O)CCc1ccc(-c2cccs2)n1NC(=O)c1ccc(F)cc1 408969847 VOANGPHFJLTBFM-UHFFFAOYSA-N 358.394 3.757 0 40 FHAB C[C@H](NC(=O)/C=C/c1ccc2c(c1)CCO2)c1ccc(-n2ccnc2)cc1 23074773 YDJITBWQPRSBET-CFZDNBDDSA-N 359.429 3.698 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc2c(c1)OCCCO2 14942405 APKHAQVHBNXCNK-UHFFFAOYSA-N 363.417 3.903 0 40 FHAB O[C@]1(C(F)(F)F)[C@H]2CCCCC2=NN1c1nc(-c2ccccn2)cs1 4916045 ZVOIOUBKMZZODN-BONVTDFDSA-N 368.384 3.822 0 40 FHAB CCc1ccc2nc(NC(=O)C[C@@H]3Oc4ccccc4NC3=O)sc2c1 5937951 VITATGIJPGCVFL-HNNXBMFYSA-N 367.430 3.587 0 40 FHAB Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(Cl)cc3F)n2)cc1 67205772 DLZHOGILPMOIQQ-UHFFFAOYSA-N 371.799 3.650 0 40 FHAB Cn1c(SCc2nc3ccc(Cl)cc3c(=O)[nH]2)nc2ccccc21 7092798 QNKRHZAZOUOHFL-UHFFFAOYSA-N 356.838 3.756 0 40 FHAB C[C@H](Oc1ccc(F)cc1)C(=O)O[C@H](C)C(=O)c1c[nH]c2ccccc12 7232904 YGBBDVUCJHJWHD-OLZOCXBDSA-N 355.365 3.889 0 40 FHAB Cc1ccc(S[C@H](C)C(=O)Nc2ccccc2N2CCOCC2)cc1 7734991 MPEXFMZYJBTUAM-MRXNPFEDSA-N 356.491 3.951 0 40 FHAB Cc1cccc(OCC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c1 7823982 JZFYHUQWVBKLJN-UHFFFAOYSA-N 363.461 3.552 0 40 FHAB Cc1ccc(CN(C)CCS(=O)(=O)c2cc(Cl)ccc2Cl)o1 7814621 IGKGBVCSLRECCJ-UHFFFAOYSA-N 362.278 3.801 0 40 FHAB COc1cccc(CCC(=O)Nc2ccnn2Cc2ccccc2)c1OC 7989614 ZOQLQEQIJGVQLT-UHFFFAOYSA-N 365.433 3.520 0 40 FHAB CC[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2C)C1)C(=O)c1ccccc1 408652999 PKUAHWMSJREIEE-MJGOQNOKSA-N 365.429 3.553 0 40 FHAB Cc1ccc([C@@H](NC(=O)CNC(=O)c2ccco2)c2ccccc2)cc1C 9252650 IXBQLVQLQZVLNH-NRFANRHFSA-N 362.429 3.532 0 40 FHAB CC[C@H](Oc1ccccc1)C(=O)N(C)Cc1nnc(-c2ccc(C)cc2)o1 408714411 QCITVTNBYIRDQL-SFHVURJKSA-N 365.433 3.861 0 40 FHAB CC[C@@H](Nc1ccc(Br)cc1C)C(=O)Nc1cc(C)on1 9322130 VIFRNXJYRGPLSQ-GFCCVEGCSA-N 352.232 3.883 0 40 FHAB O=c1[nH]c2ccccc2c2nc(COc3ccccc3-c3ccccc3)nn12 9576512 WULMFBSHKZJIIX-UHFFFAOYSA-N 368.396 3.817 0 40 FHAB Cc1cccc(-n2nnnc2[C@@H](c2ccc(Cl)cc2Cl)N(C)C)c1 19907548 RZYLNJKTSVMVBO-MRXNPFEDSA-N 362.264 3.929 0 40 FHAB CC(C)c1ccc([C@H](NC(=O)N2CCN(C(=O)C3CC3)CC2)C(C)C)cc1 9759191 XRIGJGSILDPKDD-HXUWFJFHSA-N 371.525 3.771 0 40 FHAB Cc1nn(C)c2c1N(C(=O)c1csc(Cc3ccccc3)n1)CCS2 95402008 ZRXINHWAIVWGAP-UHFFFAOYSA-N 370.503 3.528 0 40 FHAB O=C(Cn1ccc2ccc(Cl)cc21)Nc1ccc(Cn2cncn2)cc1 79483505 JJNPCNVWHXHUJN-UHFFFAOYSA-N 365.824 3.573 0 40 FHAB CCCN(Cc1ccc(-c2ccc(F)cc2)s1)[C@@H]1CCS(=O)(=O)C1 95982292 WNOGSOYDBFCVFW-MRXNPFEDSA-N 367.511 3.953 0 40 FHAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCc1ccc(OC)c(OC)c1 20495291 OXDUPBYXWWIXGJ-SFHVURJKSA-N 371.477 3.837 0 40 FHAB O=Cc1ccccc1OC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 408674533 ZZLCRVBCIWQTIB-QGZVFWFLSA-N 359.381 3.611 0 40 FHAB COc1cc(OC)c(NC(=O)c2noc3c2C[C@H](C)CC3)cc1Cl 20572101 BLKGXOODLUXDOD-SECBINFHSA-N 350.802 3.722 0 40 FHAB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc(C)ccn1 32843884 FLEFVEJAEFFTAZ-QAPCUYQASA-N 355.438 3.670 0 40 FHAB O=C(c1cccc(F)c1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 72390071 FECFHJMRKFNBHP-ZDUSSCGKSA-N 357.410 3.957 0 40 FHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(OC)c(OC)c1 38753197 ZTTTYGAEHLXIDI-KRWDZBQOSA-N 357.450 3.794 0 40 FHAB CC(C)OC[C@H](O)Cn1c([C@H](C)Oc2ccccc2)nc2ccccc21 76555463 DAPXSRDHPJUXQU-DLBZAZTESA-N 354.450 3.962 0 40 FHAB O=C(CCSc1ccccc1)N1CC(c2nc(-c3cccs3)no2)C1 49483925 AQXGSGUWBMHEMR-UHFFFAOYSA-N 371.487 3.906 0 40 FHAB COCc1cc(=Nc2cnn(CC(C)C)c2C2CC2)[nH]c(C(C)(C)C)n1 566396698 GGBFLOBLZLRVBD-UHFFFAOYSA-N 357.502 3.816 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccnc(O[C@H]2CCOC2)c1 182211482 JVUCZHDDCLJOND-AWEZNQCLSA-N 352.312 3.520 0 40 FHAB O=C(c1ccc(F)cc1F)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 225738372 MBHJXENVBYFEDT-OAHLLOKOSA-N 354.356 3.807 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2)cc1 222616244 XFWVEYIWCUDKPX-UHFFFAOYSA-N 365.364 3.712 0 40 FHAB COc1ccc2cc(C(=O)N[C@@H](C)CCc3ccccc3)c(=O)oc2c1 226043482 LIVAFRHLWUROSR-AWEZNQCLSA-N 351.402 3.553 0 40 FHAB COc1ccc(-c2nc(NC(=O)C(C)(C)C)sc2CC(=O)O)cc1C 85397407 KXGBRHQPVGGNDE-UHFFFAOYSA-N 362.451 3.739 0 40 FHAB O=C(/C=C/c1ccco1)Nc1ccc(CC(=O)NCc2cccs2)cc1 49510356 SBCQUGZNYDIZDU-MDZDMXLPSA-N 366.442 3.852 0 40 FHAB Cc1nc(SCC(=O)c2ccc3c(c2)OCCO3)n(CC(C)C)c1C 40071076 KNGYTZIIAXQXRD-UHFFFAOYSA-N 360.479 3.902 0 40 FHAB CCOc1ccc(S(=O)(=O)NCc2ccnc(-c3ccco3)c2)cc1C 225658675 QFQMBFVOJYVGQC-UHFFFAOYSA-N 372.446 3.527 0 40 FHAB CCOc1ccc(S(=O)(=O)N(CCc2cccs2)C2CC2)cc1F 75154825 WMLHANJJYFOWTN-UHFFFAOYSA-N 369.483 3.682 0 40 FHAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NC)c1ccccc1 223411937 QHGXUGVGJLJEGH-IBGZPJMESA-N 358.869 3.956 0 40 FHAB O=C(NCC[C@@H](O)c1cccc(Cl)c1)c1ccc(C(F)(F)F)nc1 225611090 VQPNMDOEEDDHIM-CYBMUJFWSA-N 358.747 3.607 0 40 FHAB COc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 224129356 TWBBURQKABTJEN-MRXNPFEDSA-N 371.477 3.955 0 40 FHAB O=C(c1cccnc1)N1CCCC2(CCN(c3cccc(F)c3)CC2)C1 96063028 BUTYPNRJAUUNCV-UHFFFAOYSA-N 353.441 3.744 0 40 FHAB C[C@H]1c2ncc(COCc3ccncc3)n2CCN1Cc1ccsc1 96109887 IBKPOEQHGXTHIK-HNNXBMFYSA-N 354.479 3.633 0 40 FHAB CC(=O)N[C@@H]1CC2(CCN(c3ccccc3F)CC2)O[C@@H]2CCCC[C@@H]12 257212367 CDBHCICPIVLNTR-ILZDJORESA-N 360.473 3.649 0 40 FHAB CCNC(=O)C1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCOCC1 257286878 PNLITBVDTSSQDF-UHFFFAOYSA-N 371.452 3.977 0 40 FHAB CC1(C)C[C@@]1(NC(=O)Nc1ccccc1CS(C)(=O)=O)c1ccccc1 665896697 QPQOMMVEPBEAPK-HXUWFJFHSA-N 372.490 3.678 0 40 FHAB O=C(Nc1cccc(-c2cnc3n2CCC3)c1)c1cc2ccccc2oc1=O 90607218 RSNQSBUWTWKVQJ-UHFFFAOYSA-N 371.396 3.855 0 40 FHAB CCC[C@H](CO)N(CCO)CCCc1ccc(COc2ccccc2)cc1 95101106 IAEVNZSSXTWPDB-JOCHJYFZSA-N 371.521 3.654 0 40 FHAB CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3cccnc3)n2C)cc1 5126359 FYFMYCXSIAYKQK-VZCXRCSSSA-N 353.447 3.597 0 40 FHAB Cc1ccccc1C(=O)Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1 5259331 GRFKUPXNXMHART-UHFFFAOYSA-N 374.444 3.541 0 40 FHAB COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)[C@H]3CCCO3)on2)cc1 12120256 YSSIGQDFPJJODK-RTBURBONSA-N 370.449 3.973 0 40 FHAB C[C@H]1Cc2cc(CN3C[C@@H]4CCC[C@H](C3)C4(O)c3ccccn3)ccc2O1 12135209 GTPPEZDUZPHZMZ-SRSMGXFPSA-N 364.489 3.525 0 40 FHAB Cc1ccc(C2(O)CCN(Cc3cncn3Cc3ccccc3)CC2)cc1 12147601 SYHIZYSUGVFEJK-UHFFFAOYSA-N 361.489 3.723 0 40 FHAB CC(C)C[C@H](NC(=O)Cc1ccccc1F)c1nc2cccnc2n1C 12220141 AQLRALOVOFGFIJ-KRWDZBQOSA-N 354.429 3.554 0 40 FHAB C/C=C/c1ccc(OCC(=O)NCCc2c[nH]c3ccccc23)c(OC)c1 15615914 VCDWUJHNLZYQEL-ZZXKWVIFSA-N 364.445 3.947 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)Sc2nnnn2C2CCCCC2)cc1F 16295726 AQKGTGVYGTVVGV-LBPRGKRZSA-N 363.462 3.745 0 40 FHAB CCc1nn(CC(=O)Nc2c(C)cc(C)cc2C)c(=S)n1-n1cccc1 16777774 FHJQKNBAHLIWDS-UHFFFAOYSA-N 369.494 3.653 0 40 FHAB Cc1nn([C@@H](C)CNC(=O)CCc2cn(C)c3ccccc23)c(C)c1C 19556265 FVCQBYSOWDLQTL-AWEZNQCLSA-N 352.482 3.610 0 40 FHAB Cc1nc(C)c(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)s1 19560166 IEEPRFBIMVGKHL-KZNAEPCWSA-N 373.497 3.601 0 40 FHAB COC(C)(C)C(=O)N1CCC[C@H](c2ccc(Cc3ccc(F)cc3)cn2)C1 19690199 OOTNQRCJNZIRRV-SFHVURJKSA-N 370.468 3.943 0 40 FHAB CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cc(Cl)ccc1Cl 159129123 GUQASPUQMYTJGG-UHFFFAOYSA-N 360.218 3.547 0 40 FHAB Cc1cc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc(C(=O)O)c1O 20151639 QIIAORIECFDDTB-UHFFFAOYSA-N 372.446 3.649 0 40 FHAB COc1ccc(Br)cc1/C=C1\N=C(c2ccccc2)OC1=O 1510697 DYHRESIBTHWFBK-UVTDQMKNSA-N 358.191 3.802 0 40 FHAB CCOc1ccccc1C(=O)OCC(=O)Nc1ccccc1C(F)(F)F 5874828 RTMPJMHJWGCAKL-UHFFFAOYSA-N 367.323 3.900 0 40 FHAB COC(=O)c1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cc1 11228551 ZGGDMOZRQIXGKZ-UHFFFAOYSA-N 351.446 3.958 0 40 FHAB O=C(CCC(F)(F)F)N1CCC(COc2ccncc2Cl)CC1 1889109362 ZEGIFQPUEWITMR-UHFFFAOYSA-N 350.768 3.695 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)Nc2cccc(N3CCCC3=O)c2)c(C)c1 28912111 MBHMBLSJKFLZNO-INIZCTEOSA-N 351.450 3.869 0 40 FHAB CCOc1ccccc1CCC(=O)NCc1cccnc1-c1cccnc1 238836976 GYDDQBNGEOFBDD-UHFFFAOYSA-N 361.445 3.791 0 40 FHAB O=C(c1ccc2cc[nH]c2c1)N1C[C@@H](c2ccccc2)[C@@H](c2ncon2)C1 245070493 QMDSHDYLJDGHTF-ROUUACIJSA-N 358.401 3.574 0 40 FHAB O=C(Cc1ccccc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 4275393 ZXEGTMOHIIFHRP-UHFFFAOYSA-N 352.415 3.763 0 40 FHAB CCc1ncnc(N2CCC(COc3ccc(C(C)(C)C)nn3)CC2)c1F 1775969592 ZOIRXBQORQLLBT-UHFFFAOYSA-N 373.476 3.561 0 40 FHAB CC(C)[C@@H]1NC(=O)N(c2ccc(-c3cc4ccccc4oc3=O)cc2)C1=O 524732442 DDFGLHUUNQBWQA-SFHVURJKSA-N 362.385 3.541 0 40 FHAB O=C(NC[C@@H]1COC2(CCCC2)O1)c1cc(Br)ccc1Cl 10220475 UHIHQYRYPMJPRL-LLVKDONJSA-N 374.662 3.518 0 40 FHAB Cc1cc2ccccc2n1CC(=O)NCc1ccc(Cn2ccnc2)cc1 30218783 NFVGHAXCRRIFAJ-UHFFFAOYSA-N 358.445 3.511 0 40 FHAB Cc1nc2cc(F)cc(C(=O)NC[C@H](C)N(C)c3ccccc3)c2nc1C 40154636 PHNNROUIWGXCED-ZDUSSCGKSA-N 366.440 3.640 0 40 FHAB Cc1noc2ncc(C(=O)N(C)Cc3ccccc3N3CCCCC3)cc12 30945636 WJZQRSIMSAMTQN-UHFFFAOYSA-N 364.449 3.794 0 40 FHAB C[C@H](NC(=O)c1cn(-c2ccccc2Br)nn1)c1ccccc1 31872053 GYBARPKPWQLJJI-LBPRGKRZSA-N 371.238 3.521 0 40 FHAB O=C(COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccccc1)c1ccccc1 101034449 VOFKTGMQQAVWGP-QIJZPMMNSA-N 362.425 3.958 0 40 FHAB COc1ccc(NC(C)=O)cc1NCc1nc(-c2ccc(Cl)cc2)no1 11620624 LAHJKQZSFIPABY-UHFFFAOYSA-N 372.812 3.969 0 40 FHAB CC(=O)OC12C[C@H]3C[C@H](CC(CCN4C(=O)c5ccccc5C4=O)(C3)C1)C2 625011 NQCUMZMSTLZBJM-MBWAJUJLSA-N 367.445 3.575 0 40 FHAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccccc2)n1Cc1ccccc1 899809 RHYSNKSOTHMCBY-AWEZNQCLSA-N 352.463 3.754 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)CSc1nc(-c2cccs2)n[nH]1 2653380 DRKCMCOBIHKGNJ-CYBMUJFWSA-N 372.519 3.763 0 40 FHAB C[C@@H](Nc1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)OCO2 3371818 IGHPBEJMGZJGQY-SNVBAGLBSA-N 363.211 3.617 0 40 FHAB Cc1cccc2sc(NC(=O)[C@@H](C)NC(=O)OCc3ccccc3)nc12 32855840 IAPCEEGQTAHOJH-CYBMUJFWSA-N 369.446 3.858 0 40 FHAB COc1cc(COC(=O)Cc2noc3ccccc23)ccc1OC(F)F 7865566 DCOFWAOMRLLIOA-UHFFFAOYSA-N 363.316 3.724 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1N[C@@H](C)C(=O)N1CCc2ccccc21 32900805 WMDQQVXRSBZERI-INIZCTEOSA-N 360.461 3.879 0 40 FHAB Cc1nnc2sc(C(=O)Nc3ccc(OC(F)F)cc3)c(N)c2c1C 32932331 BDXCSGNTERYXPK-UHFFFAOYSA-N 364.377 3.744 0 40 FHAB Cc1nc(Cc2nnc(SCC(=O)c3c[nH]c4ccccc34)o2)cs1 8128992 IUOVMLCSEQRHSG-UHFFFAOYSA-N 370.459 3.882 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 8264855 FOGWERCLTRFSRO-CQSZACIVSA-N 372.852 3.957 0 40 FHAB CC(C)[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1 8855903 BNWUDCYQCUCVFF-AWEZNQCLSA-N 373.522 3.764 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(C)c1CNC[C@H](c1ccco1)N(C)C 22095678 ALRDILRBXOZIIS-LJQANCHMSA-N 356.445 3.614 0 40 FHAB CN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccccc3Cl)ccc21 10971956 PCYCGSOVKRILOF-UHFFFAOYSA-N 358.825 3.974 0 40 FHAB Cc1ccn2cc(CNc3ccc(S(=O)(=O)C(F)(F)F)cc3)nc2c1 58413215 COGRSWROWCZEGT-UHFFFAOYSA-N 369.368 3.548 0 40 FHAB C[C@@H](c1nc2c3ccccc3ncn2n1)n1nc(C(F)(F)F)cc1C1CC1 2806507 MJYYIWAVFGGBEW-JTQLQIEISA-N 372.354 3.980 0 40 FHAB O=C(c1cccc(I)c1)N1CCCc2ccccc21 723565 ZVZWIRBGKZERRU-UHFFFAOYSA-N 363.198 3.884 0 40 FHAB O=C(NCCSc1ccc(Cl)cc1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 103900079 GUMNDDKIFTWPFI-CXTCDGGRSA-N 365.926 3.880 0 40 FHAB O=C(OCc1nc(-c2ccc(OC(F)(F)F)cc2)no1)c1ccoc1 51315278 DLAZVYOTCUIXQO-UHFFFAOYSA-N 354.240 3.585 0 40 FHAB CC1(C)CC(NC(=O)c2ccccc2C(=O)c2ccccc2)CC(C)(C)N1 952337 MWLSSVUUQXBFAT-UHFFFAOYSA-N 364.489 3.957 0 40 FHAB Cc1cc2nc(C)c(CCC(=O)N(C)Cc3cccc(Cl)c3)c(C)n2n1 23537010 AIVNCQKNVOQTPV-UHFFFAOYSA-N 370.884 3.899 0 40 FHAB Cc1nc(COc2ccc(C(=O)Nc3ccc(N(C)C)nc3)cc2)cs1 24014216 GGNLORKUVRVGAR-UHFFFAOYSA-N 368.462 3.744 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3cc(C)c(C)cc3O)n[nH]2)cc1 12475335 YWESIIGCNIXUTF-UHFFFAOYSA-N 364.405 3.610 0 40 FHAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)N(Cc1ccccn1)C1CC1 57995590 SBZQUSPLJVMDOK-QPJJXVBHSA-N 356.809 3.668 0 40 FHAB Cc1nc(N2CCN(Cc3ccccc3)CC2)c2c3c(sc2n1)CCC3 55415622 ARLGMYYWTFVRBU-UHFFFAOYSA-N 364.518 3.811 0 40 FHAB COc1ccc(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 10024347 QOSAFTDDGGDVJM-IBGZPJMESA-N 367.445 3.763 0 40 FHAB CCN(c1ccc(C(=O)Nc2cccc(C)c2C)cc1)S(=O)(=O)CC 113962891 CKEFWSNAINQXDN-UHFFFAOYSA-N 360.479 3.732 0 40 FHAB COc1ccc(-c2nn3c(-c4ccc(F)cc4)nnc3s2)cc1OC 2230186 GVGTYIZOPMCMPI-UHFFFAOYSA-N 356.382 3.676 0 40 FHAB COC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 3357661 NLDIZGNSJLPCML-GFCCVEGCSA-N 357.410 3.727 0 40 FHAB Cc1cc(C)cc(OCCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 28493438 DXBWKJWTBXCFLN-UHFFFAOYSA-N 352.434 3.603 0 40 FHAB O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)Nc1ccccc1 3367274 JCSAUGWFKFCCCI-UHFFFAOYSA-N 359.596 3.837 0 40 FHAB Cc1ccc(N2C[C@@H](C(=O)NC[C@H](C)c3ccccc3)CC2=O)cc1C 408706565 BOCNXIQGOAMHMQ-HKUYNNGSSA-N 350.462 3.576 0 40 FHAB Cc1cc(CN(C)C(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)no1 48286863 KJODFJFIWJGHLQ-HNNXBMFYSA-N 351.406 3.790 0 40 FHAB Cc1nc(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)sc1CC(N)=O 48261218 XHMNCRQRNKHZLP-LLVKDONJSA-N 373.503 3.633 0 40 FHAB CN(Cc1ccc(Cl)s1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 12849881 GFXTZKNTTJXMRV-MRXNPFEDSA-N 352.862 3.992 0 40 FHAB Cc1ccc(F)cc1NC(=O)c1cccc(I)c1 3455952 YJNIJWNOAHDIOU-UHFFFAOYSA-N 355.150 3.991 0 40 FHAB CC(=O)c1ccc(OCCCC(=O)N[C@@H]2CCOc3ccccc32)cc1 12919461 YDQRCWGYXXWEGB-LJQANCHMSA-N 353.418 3.688 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2cnc3ccccc3n2)cc1 12951664 FVMYJXVPMFWURY-ZDUSSCGKSA-N 351.431 3.952 0 40 FHAB COC(=O)c1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c(C)c1 12919235 UWKOOTFUKZKRMS-SFHVURJKSA-N 369.417 3.592 0 40 FHAB Cc1ccc(NC(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1C 12987461 APACRZLRLVQGDM-KRWDZBQOSA-N 363.465 3.516 0 40 FHAB COc1ccc(CNC(=O)C2C[C@@H]3CC[C@H](C2)C32SCCS2)cc1 13129338 FVWUHULWDGYJQO-MQVJKMGUSA-N 363.548 3.924 0 40 FHAB CSC(=N)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)cc1SC 4040163 BAJTVOMEQALVRK-UHFFFAOYSA-N 359.398 3.662 0 40 FHAB O=C1C[C@H](c2nc3ccccc3[nH]2)CN1c1ccc(Br)cc1 4033368 AJXPVJMOBKEQDM-NSHDSACASA-N 356.223 3.846 0 40 FHAB COc1ccc(OC)c(NC(=O)CNc2ccc(Br)cc2)c1 5090171 RXWMIHPXFJOSDO-UHFFFAOYSA-N 365.227 3.517 0 40 FHAB CC(C)c1ccc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C(C)C)c1 5292832 VBEPCVXXLPISGZ-UHFFFAOYSA-N 356.466 3.981 0 40 FHAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3ccc(F)cc3F)ccc12 14068046 VKSUVWZXLVDYMR-NSHDSACASA-N 359.328 3.786 0 40 FHAB CC(=O)Nc1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1 5342440 DAZXXXJWPHDSHZ-UHFFFAOYSA-N 367.232 3.647 0 40 FHAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CCCC2)cc2c1OCO2 8720923 LSALHFGKWCVUEN-HXUWFJFHSA-N 366.417 3.933 0 40 FHAB C[C@H](NC(=O)C[C@@H](NC(N)=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 14279995 WGYBCLNDPXMFAZ-ZWCZNYOASA-N 369.509 3.507 0 40 FHAB COc1ccc(C(C)=O)cc1CSc1nc(C)c(C)c(C)c1C(N)=O 14230562 XCJXCZXQCHXVFA-UHFFFAOYSA-N 358.463 3.609 0 40 FHAB O=C(COc1cccc2c1CCC=C2)Nc1ccc2c(c1)OCCCO2 8705245 XFZSRAYLPBJXKV-UHFFFAOYSA-N 351.402 3.825 0 40 FHAB Cc1ccccc1-n1nnnc1SCc1cn2cc(Cl)ccc2n1 8709820 ONTSIXKENTWIPK-UHFFFAOYSA-N 356.842 3.564 0 40 FHAB Cc1cc(NC(=O)[C@H](Sc2nc(C(C)C)n[nH]2)c2ccccc2)no1 8750610 VRNXANQRABVLJJ-CQSZACIVSA-N 357.439 3.697 0 40 FHAB C[C@@H]1CCCCN1C(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 5779662 YUZGCLUEGNHVIC-OAHLLOKOSA-N 355.409 3.837 0 40 FHAB COc1ccc2c(c1)CCC[C@H]2CC(=O)NCc1n[nH]c(=S)n1C(C)C 66639381 QFFUYTBMIXCKBV-AWEZNQCLSA-N 374.510 3.657 0 40 FHAB O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1cccc(-n2cccc2)c1 7359128 YVAYAQSMYHNWPO-HXUWFJFHSA-N 360.413 3.654 0 40 FHAB Cc1ccc(C)n1NC(=O)c1ccc(OCC(=O)Nc2ccccc2)cc1 7338007 GACFBCQKZPSEJH-UHFFFAOYSA-N 363.417 3.506 0 40 FHAB CCOc1ccccc1OCCC(=O)Nc1ccccc1N1CCCC1=O 16105512 MYNMMMDMAUXZRT-UHFFFAOYSA-N 368.433 3.620 0 40 FHAB CC(=O)c1cccc(NCC(=O)Nc2ccc(N3CCCCC3)cc2)c1 7957443 CGUVPDAHTILVCF-UHFFFAOYSA-N 351.450 3.930 0 40 FHAB O=C(c1cnn(-c2cccc(Cl)c2)c1)N1CCC(C(F)(F)F)CC1 81312264 RCYWTLMQXGDBAB-UHFFFAOYSA-N 357.763 3.940 0 40 FHAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cccc[n+]1[O-] 70012836 ZPICCMUJOYLJJX-UHFFFAOYSA-N 365.355 3.581 0 40 FHAB O=C(c1ccc(-c2ccccc2F)s1)N1CCC(C2OCCO2)CC1 69302128 KXZVEGSFBWLORZ-UHFFFAOYSA-N 361.438 3.779 0 40 FHAB CCOc1ccc([C@@H](C)NC(=O)CCc2ccc(OC)c(OC)c2)cc1 22518787 YACNZDKKNKYEFR-OAHLLOKOSA-N 357.450 3.913 0 40 FHAB O=C1CN[C@H](c2ccc(Cl)cc2)c2cc(Br)ccc2N1 72314666 PXWDSUABDPNALQ-OAHLLOKOSA-N 351.631 3.734 0 40 FHAB C[C@H](NC(=O)CCc1nc(-c2cccc(F)c2)no1)c1ccc(F)cc1 72332171 RZRXDHHJPPIIQI-LBPRGKRZSA-N 357.360 3.825 0 40 FHAB CCOC(=O)c1cnc(Nc2nc(C)c3cc(C)c(C)cc3n2)nc1C 20634057 GKVZYESLPGNERS-UHFFFAOYSA-N 351.410 3.574 0 40 FHAB O=C(OCc1nc(C2CC2)n[nH]1)c1cc(-c2ccco2)nc2ccccc12 95466558 BDSJITDLNVMTSQ-UHFFFAOYSA-N 360.373 3.847 0 40 FHAB Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)CNC(=O)c2ccoc2C)cc1 85686829 YYJZWXLOUWLGCX-QRWLVFNGSA-N 354.450 3.626 0 40 FHAB COc1ccc(CN(C)C(=O)CCSCc2ccccc2)cc1OC 20453327 PPMAHUAHKRXCLF-UHFFFAOYSA-N 359.491 3.986 0 40 FHAB N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCCC1)C(=O)Nc1ccccc1 32752495 ZAAOEAIUXIDUFM-FOWTUZBSSA-N 362.389 3.741 0 40 FHAB CCN1C(=O)S/C(=C/c2ccc(-c3ccccc3C(=O)OC)o2)C1=O 409075012 WPFMOPUNGLGHIJ-XNTDXEJSSA-N 357.387 3.789 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)COc2ccc(Cl)c(C)c2)cc1 218938858 VBSVUSVIPZWQRB-CQSZACIVSA-N 363.841 3.620 0 40 FHAB COc1ccc2nc(NC(=O)CCc3ccc4c(c3)OCO4)sc2c1 32845966 GGOCZPXKIYMTGX-UHFFFAOYSA-N 356.403 3.605 0 40 FHAB CCOc1ccc(NC(=O)COc2nn(-c3ccccc3)cc2Cl)cc1 227152001 JCWZPPMMABSOHW-UHFFFAOYSA-N 371.824 3.942 0 40 FHAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NC[C@H]1COc2ccccc2O1 225261669 KEYGHTKLMINQGJ-KXBFYZLASA-N 363.413 3.563 0 40 FHAB COc1cccc(O[C@H](C)C(=O)Nc2cccc(Br)c2)c1 40946063 CXMCDIZIERAYHR-LLVKDONJSA-N 350.212 3.864 0 40 FHAB CC(C)n1c(=O)sc2cc(NC(=O)c3ccc4c(c3)OCCO4)ccc21 225182132 YVKHSQJKZIPQRT-UHFFFAOYSA-N 370.430 3.667 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCC1(c2ccccc2)CCOCC1 222937501 OLSKZWFIVDCWBY-FQEVSTJZSA-N 371.452 3.848 0 40 FHAB CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1ccc(C)cc1 224465141 OMFQUYJLTZQZJK-FQEVSTJZSA-N 369.461 3.882 0 40 FHAB COc1ccc(S(=O)(=O)N2CCC(c3cccs3)CC2)cc1Cl 77099781 DKUJSCCMDQQXFF-UHFFFAOYSA-N 371.911 3.978 0 40 FHAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 222769615 SCFUPUIWWYCFLK-OLZOCXBDSA-N 368.325 3.898 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CCOCC1 223101878 LGMFDLDJZUQWSO-UHFFFAOYSA-N 366.461 3.513 0 40 FHAB Cc1ccccc1-c1noc(CNC(=O)CCc2ccc(Cl)cc2)n1 225312467 RHPUURCVQNDRPF-UHFFFAOYSA-N 355.825 3.947 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224601643 VPMYQRYHWLGRLF-INIZCTEOSA-N 371.477 3.955 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)NCCOc1ccc(C(C)(C)C)cc1 223661895 PIJUDKTUXBKUAN-UHFFFAOYSA-N 365.470 3.789 0 40 FHAB c1cncc(COC[C@@]23CCCO[C@H]2CCN(Cc2cccs2)C3)c1 96040086 QBORJASJTLBCMH-PMACEKPBSA-N 358.507 3.731 0 40 FHAB Cc1occc1C(=O)N1CCOC[C@H]1c1csc(-c2ccccc2)n1 96218787 UKDXMWQFIRLHJE-KRWDZBQOSA-N 354.431 3.925 0 40 FHAB CCCCc1ccc(C(=O)N[C@H](C[C@@H]2CNc3ccccc32)C(=O)O)cc1 670417857 VKODPLHWBVQGSA-YLJYHZDGSA-N 366.461 3.812 0 40 FHAB O=C(NCCCn1ccc2cccnc21)c1cccc(Br)c1 96353343 BHHSHAPFTDQEEB-UHFFFAOYSA-N 358.239 3.619 0 40 FHAB COC[C@@H]1CN(Cc2cccs2)CC12CCN(Cc1ccco1)CC2 585102995 KLRNCZOBTRMAMW-KRWDZBQOSA-N 360.523 3.702 0 40 FHAB CCn1c(N2CCC[C@H](C(=O)NCc3cccs3)C2)nc2ccccc21 12145824 LCEUIVWJIZBELA-HNNXBMFYSA-N 368.506 3.651 0 40 FHAB COc1cccc([C@H]2C[C@H](c3ccccc3Cl)Nc3nc(N)nn32)c1 12469163 QFOZXJJXXRICQD-HZPDHXFCSA-N 355.829 3.669 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(Sc3nccn3C)cc2)cc1 14713337 RXRZMQDAHQHRTQ-UHFFFAOYSA-N 359.476 3.681 0 40 FHAB CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 15561168 AUESZSDGRKWWAB-UHFFFAOYSA-N 365.433 3.660 0 40 FHAB COc1ccc(OCCC(=O)Nc2nc3ccc(OC)cc3s2)cc1 16754056 BZCFCSQEYNKPJZ-UHFFFAOYSA-N 358.419 3.721 0 40 FHAB CC(C)(C)OC(=O)N1CCC(c2nc(-c3cccs3)cc(=O)[nH]2)CC1 19083182 MIWBBGDUOKCWQK-UHFFFAOYSA-N 361.467 3.613 0 40 FHAB O=C(Cc1ccc(F)cc1)N1CCCC[C@H]2NCC[C@H](c3ccccc3)[C@H]21 19373911 VSOUKHIPWAYKKR-MQSCRBSSSA-N 366.480 3.895 0 40 FHAB Cc1ccccc1-n1nc(C)c(CN2CCN(c3nccs3)CC2)c1C 19658931 DSIRDQPNFKRABX-UHFFFAOYSA-N 367.522 3.576 0 40 FHAB Cc1nc(-c2ccccc2F)sc1C(=O)N1CCC[C@H](N2CCCC2)C1 19714419 QFJULPHQKRCUAK-HNNXBMFYSA-N 373.497 3.958 0 40 FHAB CCn1ncc(-c2cc(C(=O)NCC(C)(C)c3ccccc3F)on2)c1C 19719079 NLKBPWBMHRZVQA-UHFFFAOYSA-N 370.428 3.713 0 40 FHAB CN(C)Cc1ccc(C(N)=O)cc1NC1CC(c2ccccc2Cl)C1 509486513 FYNWTEWMGYUDOV-UHFFFAOYSA-N 357.885 3.859 0 40 FHAB COc1ccccc1CN1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCCN2C 19589298 OKDYSFJCOJHRSI-KCZVDYSFSA-N 354.469 3.897 0 40 FHAB C[C@H]1CCCN(C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)C1 25966850 IKHGEXQSRYAZDN-PXNSSMCTSA-N 350.462 3.806 0 40 FHAB O=C(CSCc1ccccc1)NC[C@](O)(c1ccoc1)c1cccs1 238858024 KELKJYLTKREHLN-IBGZPJMESA-N 373.499 3.627 0 40 FHAB O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cncc(Br)c1 29607606 MUVSBRUJFNROCF-WDEREUQCSA-N 351.166 3.695 0 40 FHAB CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc2cn[nH]c12 1430706 RJMQTBXMYJNOTL-UHFFFAOYSA-N 359.451 3.886 0 40 FHAB O=C(Nc1nnc(-c2ccco2)o1)c1ccc(C(=O)c2ccccc2)cc1 4264577 PBPWAQBGDBTDFX-UHFFFAOYSA-N 359.341 3.813 0 40 FHAB Cc1ccc(N2C[C@H](NC(=O)c3c(F)cccc3Cl)CC2=O)cc1C 5194361 ODHZMMZKEJGPNJ-CYBMUJFWSA-N 360.816 3.631 0 40 FHAB CCOc1ccc(CC(=O)Nc2ccc(-c3ccc(OC)nn3)cc2)cc1 5259532 VLBCSDAGSGKLQY-UHFFFAOYSA-N 363.417 3.732 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CC(N2C[C@H]3CCC[C@H]3C2)C1 1775967591 XGQIOBXSXHTWTI-TXEJJXNPSA-N 354.281 3.941 0 40 FHAB CC(C)COC(=O)Nc1nc(CC(=O)Nc2ccc(F)c(F)c2)cs1 12440548 OGHPXWQPVDDRDK-UHFFFAOYSA-N 369.393 3.807 0 40 FHAB O=C(Cc1ccc(-n2cccn2)cc1)Nc1ccc(Oc2cnccn2)cc1 40112613 GKKUTHGHNDFIFK-UHFFFAOYSA-N 371.400 3.636 0 40 FHAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)NCc2ccccc2Cl)c1 40103302 DLAGCXYQJHVIBD-UHFFFAOYSA-N 373.261 3.719 0 40 FHAB C[C@H](NC(=O)C1CCCC1)C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 40144881 OWVKFPPWOWLQLT-MNOVXSKESA-N 357.281 3.866 0 40 FHAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OC1(CCCC1)O2 8394700 AGCFEGOZBCUVOG-UHFFFAOYSA-N 367.401 3.681 0 40 FHAB Cc1ccc(OCC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1C 11741409 FFSKYFCOXNEBLD-UHFFFAOYSA-N 352.434 3.756 0 40 FHAB CCOC(=O)[C@H]1C(=O)OC(C)(C)[C@@H]1[C@H](CC)C(=O)c1ccc(Cl)cc1 1425886 GYONFYNYMALABL-SOUVJXGZSA-N 366.841 3.680 0 40 FHAB Cc1ccccc1-n1ccnc1SC[C@@H](O)COc1ccc(F)cc1 32751139 NTLNTWYOMALMAU-INIZCTEOSA-N 358.438 3.852 0 40 FHAB CC1(C)CC2=Nc3nc(N)[nH]c(=O)c3[C@@H](c3ccc(Cl)cc3)C2=C(O)C1 102453285 VLIIMPWBRHBPHT-ZDUSSCGKSA-N 370.840 3.856 0 40 FHAB Cc1c(C(=O)Nc2ccc(C(N)=O)cc2)oc2ccc(Br)cc12 6201123 VLNDMVZEWUUQPA-UHFFFAOYSA-N 373.206 3.855 0 40 FHAB O=C(Cc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 6270403 OUDYPAUMZFVCFG-UHFFFAOYSA-N 366.442 3.669 0 40 FHAB CC(=O)COC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 6500495 QLFBSGKSTQKBOS-UHFFFAOYSA-N 362.838 3.854 0 40 FHAB Cc1cccc(CNC(=O)CCCCC(=O)NCc2cccc(C)c2)c1 6924225 MAOCIPKPGWWYDO-UHFFFAOYSA-N 352.478 3.796 0 40 FHAB C[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccc(C(C)(C)C)cc1 10112017 UUSQFMUOIUIQRN-AWEZNQCLSA-N 374.506 3.847 0 40 FHAB CC(C)CCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 667181 WVQHOERGVOLNPH-HXUWFJFHSA-N 372.490 3.830 0 40 FHAB CCC[C@@H](C)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 667190 ZIAZYURDKOVDQR-VLIAUNLRSA-N 372.490 3.972 0 40 FHAB COc1cc(OC)nc(Oc2ccccc2C(=O)Oc2ccc(C)cc2)n1 684957 IXFVFOGZYXVQIV-UHFFFAOYSA-N 366.373 3.814 0 40 FHAB Cc1nc(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)cs1 22812775 CRNNWWVHBVXGMA-UHFFFAOYSA-N 370.547 3.893 0 40 FHAB CN(C)[C@H](CNC(=O)CCc1ncc(-c2ccccc2)o1)c1cccs1 23074400 MTXPDQOFOAJIKY-MRXNPFEDSA-N 369.490 3.755 0 40 FHAB COCC(=O)Nc1ccc(NC(=O)N[C@@H](c2cccs2)C(C)C)cc1 44122582 IGXQNHBFFHWIHY-QGZVFWFLSA-N 361.467 3.852 0 40 FHAB COc1ccc2c(c1)CCCN2C(=O)c1ccc2c(c1)NC(=O)CCS2 27065274 YBJGJHZFCVYLCW-UHFFFAOYSA-N 368.458 3.723 0 40 FHAB C[C@H](Sc1nnc(C2CC2)n1CCC(N)=O)c1ccc(F)c(Cl)c1 58167500 LXUONINPXCTACV-VIFPVBQESA-N 368.865 3.677 0 40 FHAB CC(C)c1nnc(NC(=O)N[C@@H]2CCCc3c2cnn3C(C)(C)C)s1 58378126 IDMAXDDKQHPSNE-GFCCVEGCSA-N 362.503 3.812 0 40 FHAB C[C@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)N1CCCCC1 28042922 NCFXVIYMALKCFV-LLVKDONJSA-N 351.299 3.717 0 40 FHAB Cc1noc2ncc(C(=O)Nc3ccccc3NCC(F)(F)F)cc12 58434090 JOFZHZPZIUJOOM-UHFFFAOYSA-N 350.300 3.758 0 40 FHAB CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cccc(Cl)c1 2289384 YIPXHPPKCBZJJI-KRWDZBQOSA-N 356.809 3.668 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(F)c(F)cc1Cl 3317156 FEVTYEKOZMGQRQ-JTQLQIEISA-N 365.763 3.753 0 40 FHAB COc1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)N2CCCC2)cc1 3376655 LFSGPAYFZBTLNW-FQEVSTJZSA-N 372.896 3.844 0 40 FHAB O=C(C[C@@H]1CCCO1)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 45819472 IZNWICCRIKQNDB-PKOBYXMFSA-N 367.424 3.602 0 40 FHAB O=S(=O)(c1ccccc1Br)N1CC[C@H]1c1ccccc1 45815426 FZOUOSSBBWXEJX-AWEZNQCLSA-N 352.253 3.585 0 40 FHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1C2CC3CC(C2)CC1C3 12775761 NBHJIMPWQTVLPQ-UHFFFAOYSA-N 373.449 3.501 0 40 FHAB COc1ccc(CCOC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1 12789212 AIOFAVGJSWKTLP-UHFFFAOYSA-N 352.390 3.817 0 40 FHAB CCCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(OC3CCCC3)cc2)C1 48368651 GDEMOTQRQDPHNJ-MRXNPFEDSA-N 358.482 3.985 0 40 FHAB O=C(CC1CCCCC1)NCc1cccc(NC(=O)c2ccncc2)c1 48365301 XKXMKDGSBCLRDX-UHFFFAOYSA-N 351.450 3.921 0 40 FHAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)N(C)c3ccccc3)o2)cc1 3450691 PSEPPENKRNXHNU-ZDUSSCGKSA-N 369.446 3.889 0 40 FHAB COc1cc(NC(=O)CSc2nc3ccccc3o2)cc(OC)c1OC 3503781 FCCAJFSSRJUHLP-UHFFFAOYSA-N 374.418 3.584 0 40 FHAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)C1 3519972 AHRAIZLXNVXZRG-CHWSQXEVSA-N 370.478 3.815 0 40 FHAB CSc1cccc(N2C[C@@H](C(=O)NCCC3=CCCCC3)CC2=O)c1 12983587 BZFQPGKUGMWYKS-INIZCTEOSA-N 358.507 3.768 0 40 FHAB O=S(=O)(NCc1ccccc1OC(F)F)c1ccc2ccccc2c1 12950049 HWWAVSPROUPSBK-UHFFFAOYSA-N 363.385 3.920 0 40 FHAB O=C1c2ccccc2-c2nn(C(=O)c3cccnc3Cl)c3cccc1c23 3647699 WWQJOXXIRMAAAY-UHFFFAOYSA-N 359.772 3.985 0 40 FHAB C[C@H](c1ccccc1)c1nnc(NC(=O)c2ccc3c(c2)OCO3)s1 13571159 HBERTCHGBHHVDT-LLVKDONJSA-N 353.403 3.671 0 40 FHAB CC[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(C)cc1 20490334 BACYSVCCKDAQAS-LJQANCHMSA-N 372.490 3.551 0 40 FHAB CC(=O)c1ccccc1NC(=O)COc1ccc(C)cc1Br 6345987 SHPKBXVAHBGPCP-UHFFFAOYSA-N 362.223 3.978 0 40 FHAB C[C@H](Sc1nnc(-c2cccs2)o1)c1nc2ccccc2c(=O)[nH]1 8709391 HROPXKDGJCIVMJ-VIFPVBQESA-N 356.432 3.888 0 40 FHAB c1ccc(Cn2c(SCc3ncon3)nnc2-c2cccs2)cc1 14123853 OWMZHDTZFVBQBZ-UHFFFAOYSA-N 355.448 3.730 0 40 FHAB CC[C@H]1Oc2ccccc2C(=O)N(CC(=O)c2ccc3ccccc3c2)C1=O 6669815 XAUGKJDPKSSFSS-HXUWFJFHSA-N 373.408 3.863 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4731747 XCEJKRCTJSBCLD-OAHLLOKOSA-N 374.843 3.817 0 40 FHAB CC(=O)Nc1ccc(CNCc2c(C)nn(Cc3ccccc3)c2C)cc1 15581956 UPJSZSAXGPOTEO-UHFFFAOYSA-N 362.477 3.796 0 40 FHAB CCOc1ccccc1C(=O)OCC(=O)Nc1ccc(F)cc1Cl 7509273 AECCMPBCHUUUFD-UHFFFAOYSA-N 351.761 3.673 0 40 FHAB O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1ccccc1Cl 71286132 RQQPPZSYTFYUTR-UHFFFAOYSA-N 374.227 3.856 0 40 FHAB Cc1ccc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCCC2)o1 24493923 UZQQFKORCWJGCS-UHFFFAOYSA-N 350.459 3.936 0 40 FHAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NC2CC2)C12CCCCC2 71284419 MQZRFUGOSVBUSH-IBGZPJMESA-N 354.494 3.864 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)NCc3cccc(Cl)c3)CC2=O)cc1C 408708915 VGQXXSDOVGZQBN-MRXNPFEDSA-N 356.853 3.626 0 40 FHAB COc1ccc2oc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)c(C)c2c1 8232120 OMOHDSILMDQHBP-UHFFFAOYSA-N 364.401 3.894 0 40 FHAB Cc1ccc(C)c(-n2nnnc2SCc2cn3cc(C)ccc3n2)c1 9315133 YQNQYNRAQMXRHB-UHFFFAOYSA-N 350.451 3.528 0 40 FHAB C[C@H](Sc1nncn1-c1ccccc1)C(=O)N1CCCc2ccccc21 9368461 WANDFAMJBUTHTM-HNNXBMFYSA-N 364.474 3.727 0 40 FHAB CCCN1C(=O)c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2C1=O 9581639 USBPEGWRHAMMJH-UHFFFAOYSA-N 356.809 3.907 0 40 FHAB COCCN1C(=O)S/C(=C/c2cccn2-c2ccc(Cl)cc2)C1=O 409136230 XWIZDARYVKQNHN-RVDMUPIBSA-N 362.838 3.813 0 40 FHAB Cc1nc([C@@]2(O)CCCNCC2)sc1CCOc1ccc(Cl)cc1 72343618 UNQKUKZBQQTPTL-GOSISDBHSA-N 366.914 3.688 0 40 FHAB Cn1nnc2cc(C(=O)NC(C)(c3ccccc3)c3ccccc3)ccc21 95947908 DYGCOXAXVKQGRY-UHFFFAOYSA-N 356.429 3.662 0 40 FHAB COc1ccc([C@@H](O)[C@H](C)NC(=O)c2cc(C)nc3ccc(C)cc23)cc1 89657500 WSQFQFYSZAEWCE-BTYIYWSLSA-N 364.445 3.712 0 40 FHAB CSCCCNC(=S)NCc1cccnc1Oc1cccc(F)c1 36845629 WUWYAORJADTSOZ-UHFFFAOYSA-N 365.499 3.730 0 40 FHAB COc1ccc(-c2nnc(CN(C)C(=O)CC3CCCCC3)o2)cc1OC 408713973 FCRZIEHMJXYSLO-UHFFFAOYSA-N 373.453 3.683 0 40 FHAB CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCC[C@H]1c1ccccc1C 36620809 BDORKSATTHSAPL-IBGZPJMESA-N 372.490 3.788 0 40 FHAB O=C(Nc1ccc(OC(F)F)nc1)c1ccn(-c2cccc(Cl)c2)n1 549324463 RMFRXBPFHKBPNJ-UHFFFAOYSA-N 364.739 3.774 0 40 FHAB O=C(Nc1ccc(Br)cc1)[C@H]1CC(c2cccc(F)c2)=NO1 32833039 FIKIRRPCBDRUIN-OAHLLOKOSA-N 363.186 3.720 0 40 FHAB Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1C 219232226 OMYYSACHZMWMEO-KRWDZBQOSA-N 350.462 3.917 0 40 FHAB COc1ccc(Cl)cc1C[S@@](=O)CC(=O)Nc1ccc(C)cc1 40071056 VBHPMXWEBSJKSM-QHCPKHFHSA-N 351.855 3.544 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1F 224224706 ISXXIMXSPAZSDZ-FQEVSTJZSA-N 370.468 3.620 0 40 FHAB O=C(O)[C@@H]1CC(=O)N(c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)C1 45887140 VHKSFVQOARLEFV-LLVKDONJSA-N 356.765 3.586 0 40 FHAB CCc1ccc(NC(=O)CN(CC)S(=O)(=O)c2cc(C)ccc2C)cc1 225933234 DKWMLPAKKKXXBH-UHFFFAOYSA-N 374.506 3.515 0 40 FHAB Cc1sc2ncnc(SCCC(=O)Nc3nccs3)c2c1C 40287826 LBRUGSMHJFRWQC-UHFFFAOYSA-N 350.494 3.886 0 40 FHAB CCc1ccccc1NC(=S)N1CCN(C2Cc3ccccc3C2)CC1 225212358 LIZHBSWLHQPQEA-UHFFFAOYSA-N 365.546 3.731 0 40 FHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)[nH]1 224621587 VGZVVPHWGXIBDJ-QZTJIDSGSA-N 350.447 3.601 0 40 FHAB CC(C)(C)OC(=O)N1CCC(=O)[C@H](Cc2ccccc2Br)C1 228908992 NLFBDJODASTYOZ-CYBMUJFWSA-N 368.271 3.818 0 40 FHAB O=C(COc1cccc2ccccc12)Nc1cc(N2CCCCC2)ncn1 75166278 OGGGUDPBQWGNGN-UHFFFAOYSA-N 362.433 3.638 0 40 FHAB COc1ccccc1CN1CCC(C(=O)N[C@H](C)c2ccccc2)CC1 199402632 LBSAHUNCJKYWMB-QGZVFWFLSA-N 352.478 3.785 0 40 FHAB O=C1CC[C@@H](C(=O)N2CCCc3cccc(OC(F)F)c32)n2cccc21 582220937 OXZZGVITCGZQOG-AWEZNQCLSA-N 360.360 3.587 0 40 FHAB CCN1CCC[C@H]1CNC(=O)C[C@@H](Cn1cccc1)c1ccc(Cl)cc1 95473630 UHJPXULDELKMGQ-ICSRJNTNSA-N 373.928 3.916 0 40 FHAB Cc1cccnc1N1CCC2(CC1)C[C@@H](N(C)Cc1ccccc1)CO2 96221033 ALJWKZORBYEDIY-HXUWFJFHSA-N 351.494 3.650 0 40 FHAB NC[C@@H]1CCC2(CCN(C(=O)c3ccc(-c4cccs4)cc3)CC2)CO1 96157042 UHRYABRLKODCGX-SFHVURJKSA-N 370.518 3.775 0 40 FHAB Cc1nc(CO[C@@H]2CSC3(C2)CN(C(=O)c2ccccc2C)C3)cs1 248167978 SUFGXIBNTRZAIA-INIZCTEOSA-N 374.531 3.677 0 40 FHAB Cc1cc(Nc2cccc(CC3CCN(Cc4cccnc4)CC3)n2)[nH]n1 257246884 IWGXOIUMBFNTDQ-UHFFFAOYSA-N 362.481 3.706 0 40 FHAB CCOc1cc(CSc2cccs2)nc2nc(C(F)(F)F)nn12 621993514 LAMVSGDKWMXNJC-UHFFFAOYSA-N 360.386 3.896 0 40 FHAB Cc1ccc(CN2CC3(C[C@H](OCC4CCOCC4)CS3)C2)s1 585103367 AVHRHJFSLLSLKV-INIZCTEOSA-N 353.553 3.560 0 40 FHAB Cc1c(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)cnn1C 1615155101 HUGUPOGOIQKSJW-OAQYLSRUSA-N 370.472 3.531 0 40 FHAB COc1cccc(C2(NC(=O)c3cc(-c4ccccn4)n[nH]3)CCCC2)c1 12143769 ULAPGIRZIKKBCA-UHFFFAOYSA-N 362.433 3.680 0 40 FHAB Cn1c(CCC(=O)N[C@@H](c2ccccc2)c2cccnc2)nc2ccccc21 12147190 BXKWPLFQHHWZFG-QHCPKHFHSA-N 370.456 3.807 0 40 FHAB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccccc2F)s1 13000718 WPTFSKHJBAJVAQ-OAHLLOKOSA-N 362.451 3.520 0 40 FHAB COc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccccc3Cl)no2)cc1 13494866 NBNMIJVWUWLRRE-NSHDSACASA-N 357.797 3.890 0 40 FHAB CC[C@@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1ccccc1)S(C)(=O)=O 13711434 QQYFBEHLVUKHIM-SFHVURJKSA-N 374.506 3.795 0 40 FHAB COc1cc(NC(=O)c2cc(C)nc3c2c(C)nn3C)c(OC)cc1Cl 14899877 OCJFXDXFKKRHOB-UHFFFAOYSA-N 374.828 3.508 0 40 FHAB COc1cccc([C@H]2CN(C(C)=O)[C@@H]3CCN(Cc4cccs4)C[C@H]23)c1 19019460 BOGIHLAIQCHVEQ-NJDAHSKKSA-N 370.518 3.593 0 40 FHAB C[C@H](Cc1cc(O)n2nc(-c3ccccn3)cc2n1)n1cnc2ccccc21 19456745 WBKJXKNFCFFBED-CQSZACIVSA-N 370.416 3.650 0 40 FHAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCN(CC2CC2)C1 19529120 QGAVMAKZPRFBQG-HSZRJFAPSA-N 363.505 3.529 0 40 FHAB Cc1cccc(OC[C@@H]2CCCN(C(=O)C3CCC(F)(F)CC3)C2)n1 1775995594 ASRPONWEVVEFAO-OAHLLOKOSA-N 352.425 3.833 0 40 FHAB CCCn1cc(S(=O)(=O)c2ccc(F)cc2)c(=O)c2cc(C)ccc21 4193386 KMSBFEWXEJJYAL-UHFFFAOYSA-N 359.422 3.692 0 40 FHAB COc1cccc(-c2noc(C(=O)NCC34CC5CC(CC(C5)C3)C4)n2)c1 4694779 PSRMNEDGYWDYCF-UHFFFAOYSA-N 367.449 3.691 0 40 FHAB CCc1nc2sc([C@H](c3ccccc3)N3CCC(C)CC3)c(O)n2n1 22853259 WONUTZWVPGMMJG-INIZCTEOSA-N 356.495 3.880 0 40 FHAB O=C(Cc1noc2ccccc12)NCc1cc(-c2ccc(F)cc2F)on1 36662431 CDDLQTMQIRGNRS-UHFFFAOYSA-N 369.327 3.620 0 40 FHAB CC[C@@H](C(=O)Nc1cccc(OC)c1)n1nc(-c2ccccc2)ccc1=O 20095365 ZLOLVMVDQMIKGZ-IBGZPJMESA-N 363.417 3.509 0 40 FHAB Cc1occc1C(=O)Nc1nc(CC(=O)NC2CCC(C)CC2)cs1 40129308 PJSLOHAJAXGMEW-UHFFFAOYSA-N 361.467 3.534 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccc2c(c1)CCO2 40132901 SFTKJIQBCJTGJI-UHFFFAOYSA-N 365.408 3.744 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H]2CC(O)=Nc3cc(-c4ccccc4)nn32)c1 20722359 FBDAJWXXCFDJKH-SFHVURJKSA-N 374.400 3.924 0 40 FHAB COC(=O)[C@@H](c1ccccc1Cl)N1CCO[C@@H](c2ccc(F)cc2)C1 29658438 ZSUHWVDFGFSSPT-QZTJIDSGSA-N 363.816 3.767 0 40 FHAB Cc1ccc2nc(NC(=O)[C@@H]3CCCN3C(=O)c3cccs3)sc2c1 858134 ILXOZNXMNCIJAO-ZDUSSCGKSA-N 371.487 3.910 0 40 FHAB CC(C)(c1ccc(OC(=O)N2CC2)cc1)c1ccc(OC(=O)N2CC2)cc1 1676688 JWQPKLMMPTZVAI-UHFFFAOYSA-N 366.417 3.641 0 40 FHAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(Br)cc2)c1 1943756 QSTJEGUKZLWTKI-UHFFFAOYSA-N 362.223 3.861 0 40 FHAB Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)COc1ccc(F)cc1 41024765 OGDCFBNGAFTCKJ-UHFFFAOYSA-N 359.788 3.897 0 40 FHAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccccc1Cc1ccccc1 2632035 NRLPZWAXEWEDBQ-UHFFFAOYSA-N 369.428 3.570 0 40 FHAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1C 3410269 VJZNWIAHPUGSQU-UHFFFAOYSA-N 356.426 3.660 0 40 FHAB COc1ccc(C(=O)Nc2nnc(COc3ccccc3F)s2)cc1 4160882 TXWKXXUUIGLLBS-UHFFFAOYSA-N 359.382 3.517 0 40 FHAB CC(C)Oc1ccc(N2C[C@H](C(=O)Nc3ccc(F)cc3F)CC2=O)cc1 4898431 ZXYPTHFRNPQJHB-CYBMUJFWSA-N 374.387 3.744 0 40 FHAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cc(C)ccc2C)NC(=S)N1 6079187 GNPYMIZGQAUKTM-GOSISDBHSA-N 369.465 3.874 0 40 FHAB O=C(NCc1ccc(-n2cncn2)cc1)c1ccc(Oc2ccccc2)cc1 32936041 RDEKZESBQZYMIP-UHFFFAOYSA-N 370.412 3.990 0 40 FHAB O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1ccc(Cl)cc1F 32924656 ZTIRIPFKKWSFAV-UHFFFAOYSA-N 366.864 3.780 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccc(F)cc3F)C2)nc1 47334505 CZMQFTDXWVLAOE-CYBMUJFWSA-N 374.391 3.551 0 40 FHAB O=C([C@@H](Sc1nccc(C(F)(F)F)n1)c1ccccc1)N1CCCC1 41896874 YZVZNXCWUZOZSM-AWEZNQCLSA-N 367.396 3.951 0 40 FHAB CC(C)(C)C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2C(=O)Nc1cccc(F)c1 100426514 CXFPZIGACJRKBI-IRXDYDNUSA-N 361.461 3.905 0 40 FHAB COc1ccc(NC(=O)N(C)CCc2ccccc2)cc1N1CCCC1=O 47506297 MXNOVLNQOVFFAB-UHFFFAOYSA-N 367.449 3.528 0 40 FHAB CCOC(=O)N1CCC(NC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 43177112 YVCJPOBEFSJRQP-UHFFFAOYSA-N 360.241 3.736 0 40 FHAB O=C(CN1CCOc2ccc(Cl)cc21)Nc1ccc2ccccc2n1 76059462 GAGNIUNMDRYAKE-UHFFFAOYSA-N 353.809 3.726 0 40 FHAB CCn1cc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)c2ccccc21 12528349 BYIFPNJNVSALRA-UHFFFAOYSA-N 361.445 3.940 0 40 FHAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N[C@H]1CCc2ccccc21 12506918 VNYVSNVNOMXJEV-AWEZNQCLSA-N 359.351 3.859 0 40 FHAB CC(C)(C)[C@@H](NC(=O)CCC(=O)Nc1nccs1)c1cccs1 56130580 PWZKZOXHKHHUKN-AWEZNQCLSA-N 351.497 3.827 0 40 FHAB CCN(CC)c1ccc(-c2nnc(SCc3cc(C)on3)n2C)cc1 26038020 XSSXXUHWPYJMQN-UHFFFAOYSA-N 357.483 3.917 0 40 FHAB O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1)C1CC1 12627322 TWULBPQCINAGNP-IBGZPJMESA-N 374.444 3.889 0 40 FHAB Cc1cccc(CSCC(=O)NCc2nc(-c3cccs3)no2)c1 65778559 YISKHWIYESFVGG-UHFFFAOYSA-N 359.476 3.656 0 40 FHAB Cc1ccsc1C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1 3384218 WSEQDBSLCRMYGS-UHFFFAOYSA-N 359.325 3.751 0 40 FHAB O=C(NCCCOC[C@@H]1CCCO1)Nc1ccc(-c2nccs2)cc1 58393820 NTCCQDCSAYIMOD-INIZCTEOSA-N 361.467 3.517 0 40 FHAB COc1ccc([C@@H]2CCCN2Cc2cc(=O)oc3cc(O)ccc23)cc1 12736615 XUMNURLVGZHRMV-IBGZPJMESA-N 351.402 3.844 0 40 FHAB O=c1c2c3c(sc2ncn1[C@@H]1CCc2ccccc2N=C1O)CCC3 36353487 QOLGXMFDSHOPIT-CQSZACIVSA-N 351.431 3.722 0 40 FHAB Cc1cc(N[C@H](C)C(=O)Nc2cc(F)ccc2F)ccc1N1CCCC1=O 10750330 PHLFIOHGTJEPTL-CYBMUJFWSA-N 373.403 3.839 0 40 FHAB COc1ccc([C@H]2CC(=O)c3cn4c(nc3C2)nc2ccccc24)c(OC)c1 2350151 BDLNYSLPRCLGQI-CYBMUJFWSA-N 373.412 3.812 0 40 FHAB O=c1/c(=C/c2cccc(Cl)c2)sc2nnc(-c3ccccc3Cl)n12 2379870 ZUIFLTKEMULOBQ-ZROIWOOFSA-N 374.252 3.673 0 40 FHAB COc1ccc(NC(=O)c2csc(COc3ccc(F)cc3)n2)cn1 12822979 JKENHOCEFJJINO-UHFFFAOYSA-N 359.382 3.517 0 40 FHAB CCCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1C 11565946 GWCWFDSPSQQCSU-UHFFFAOYSA-N 363.435 3.673 0 40 FHAB CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NCc1ccco1 11565878 QXYJNFMHMTZYJD-UHFFFAOYSA-N 351.468 3.979 0 40 FHAB COCc1nc2ccccc2n1C[C@@H](O)COc1ccc(C(C)C)cc1 16903763 RUUWBMNGAKAQGO-QGZVFWFLSA-N 354.450 3.746 0 40 FHAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccccc2O)c1 12871045 OPIZPPYOBZJAAC-UHFFFAOYSA-N 354.435 3.651 0 40 FHAB COc1ccc(Cl)cc1C(=O)OCc1cc(=O)oc2cc(O)ccc12 3427931 COFYDBFXCHCEED-UHFFFAOYSA-N 360.749 3.518 0 40 FHAB CCOC(=O)C1=C(C)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1Cl 8323110 YTDOHKKMZHHCIG-CQSZACIVSA-N 357.237 3.917 0 40 FHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1ccccc1Cl 8349538 AMHVGLRGFVUGTD-CQSZACIVSA-N 354.841 3.683 0 40 FHAB COc1ccccc1OCC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 4076086 DQVAHTCBYIUMRP-UHFFFAOYSA-N 372.421 3.899 0 40 FHAB CCOC(=O)c1cccc(N/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)c1 17118218 FLWCKLPIQNVDIE-WJDWOHSUSA-N 370.792 3.774 0 40 FHAB CCc1ccccc1NC(=O)CN(C)C(=O)COc1ccc(Cl)cc1C 8423581 NGLAEEOOOCDHRI-UHFFFAOYSA-N 374.868 3.687 0 40 FHAB C[C@H](Sc1nnc2n1CCCCC2)C(=O)N[C@@H]1CCCc2ccccc21 6097910 GTVYRZNWCQMVOF-WMLDXEAASA-N 370.522 3.679 0 40 FHAB CSc1ccc(CN(C)C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1 14068702 TZGFRVJEOZONIV-INIZCTEOSA-N 358.438 3.632 0 40 FHAB COCCNC(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12 14183980 YXYHFBVSMOGQCM-UHFFFAOYSA-N 352.434 3.539 0 40 FHAB C[C@@H]1CCC[C@@H](NC(=O)CCC(=O)NC2C3CC4CC(C3)CC2C4)[C@@H]1C 4673210 BTUCYBZERXDADI-FTXXGKCZSA-N 360.542 3.648 0 40 FHAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c(C)c1 6767123 OCKNGGLDHHLXDD-UHFFFAOYSA-N 372.490 3.576 0 40 FHAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccc(F)cc3)c12 14814384 CIYHRNHBUMAEMI-UHFFFAOYSA-N 350.353 3.928 0 40 FHAB COc1cccc2cc(C(N)=O)/c(=N/c3ccccc3C(F)(F)F)oc12 67292681 NVFAUTUMENSZLJ-QJOMJCCJSA-N 362.307 3.792 0 40 FHAB CCc1cccc2c(C(=O)COc3ccc(Cl)cc3C(N)=O)c[nH]c12 7022663 XDHWRSPICIUITF-UHFFFAOYSA-N 356.809 3.744 0 40 FHAB COc1ccc(NC(=O)CSc2nccn2-c2cc(C)cc(C)c2)cn1 7283296 SVIKKMHAQAZEEG-UHFFFAOYSA-N 368.462 3.624 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)Oc2ccc(C)cc2Br)cc1 16090595 ICCLBTLAPOUUAW-UHFFFAOYSA-N 369.236 3.728 0 40 FHAB COCCNc1ncnc2c1sc1nc(N3CCCCC3)cc(C)c12 71279806 QQQXCCLNDAUEGG-UHFFFAOYSA-N 357.483 3.597 0 40 FHAB C[C@@H]1CN(C(=O)c2ccccc2N(C)C(=O)c2cccs2)CC(C)(C)O1 68539270 ZUXPFXGBHIMVRW-CQSZACIVSA-N 372.490 3.664 0 40 FHAB COc1cc(CN(C)C(=O)c2cc(C)on2)ccc1OCc1ccccc1 8072743 YNTHKKSPKATZCX-UHFFFAOYSA-N 366.417 3.843 0 40 FHAB CCCN1C(=O)N/C(=C/c2ccc(OCc3cccc(C)c3)cc2)C1=O 409229308 MYUKANHSGXXRED-CPNJWEJPSA-N 350.418 3.877 0 40 FHAB COc1ccc(Cc2c(C)nc(SCc3ccccc3)[nH]c2=O)cc1 9374717 CAAXXBZGLNXFAW-UHFFFAOYSA-N 352.459 3.970 0 40 FHAB CC[C@@H](NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)[C@@H]1CCOC1 72297014 SZMBHYDSYRZMFL-UYAOXDASSA-N 366.461 3.508 0 40 FHAB O=C(NC1CC1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 84372682 OEMIUSOWAXFGCI-UHFFFAOYSA-N 359.470 3.544 0 40 FHAB COCc1cccc(C(=O)Nc2c(SC)cnn2-c2ccccc2)c1 95965064 ZDCFDHBJRJMACF-UHFFFAOYSA-N 353.447 3.993 0 40 FHAB O=C(Cc1cccc(F)c1)Nc1ccc(OCc2noc(C3CC3)n2)cc1 95955972 DUYQXTJOMSAOQP-UHFFFAOYSA-N 367.380 3.846 0 40 FHAB O=C(CCOc1cccc(F)c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 89866474 OZDRRTNWURRIIJ-HNNXBMFYSA-N 367.424 3.877 0 40 FHAB CCOc1ccc(CCCNC(=O)[C@H](C)Oc2ccccc2C)cc1OC 20485898 SDLJMYAVHRRLDW-KRWDZBQOSA-N 371.477 3.919 0 40 FHAB CC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 39753694 HGKGYUFIXCVEOM-UHFFFAOYSA-N 354.425 3.879 0 40 FHAB Cc1ccc(-c2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)on2)cc1 33146999 FJGWAMLPYGADAW-UHFFFAOYSA-N 363.417 3.739 0 40 FHAB O=C(NCc1cccc(Br)c1)c1cc(-c2ccc(F)cc2)[nH]n1 72328218 HQZYKNSYPBUWDN-UHFFFAOYSA-N 374.213 3.908 0 40 FHAB CC(C)Sc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)NCC3)cc1 70638283 IOGWYEOVGKCWEC-UHFFFAOYSA-N 354.475 3.654 0 40 FHAB CC(C)C[C@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccccc1 216436081 KAWFGRGGZRXIGP-SFHVURJKSA-N 374.506 3.600 0 40 FHAB O=C1CC(c2cccc(N[C@@H]3CCC[C@@H](c4cccnc4)C3)c2)CC(=O)N1 562673627 SWFJALXLNCQJAK-DNVCBOLYSA-N 363.461 3.740 0 40 FHAB Cc1ncccc1Oc1nccnc1C1CCN(C(=O)c2ccccc2)CC1 72383544 ZUBHBWAQHLFIJM-UHFFFAOYSA-N 374.444 3.992 0 40 FHAB CCCc1ccc([C@@H](NC(=O)c2cnc3ccccn3c2=O)C(C)C)cc1 40058000 ILEWXGWOTOCRMV-FQEVSTJZSA-N 363.461 3.774 0 40 FHAB O=C(O)[C@H](Cc1cccc2ccccc12)N1CCN(c2ccccc2)CC1 225143557 GNWZKIUMYFSCNE-QFIPXVFZSA-N 360.457 3.658 0 40 FHAB O=C(NCCc1ccc(Cl)cc1)Nc1cccc(C(=O)NC2CC2)c1 40104266 ICPFZTOHDYTUPW-UHFFFAOYSA-N 357.841 3.596 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 224697294 HKWFBMUHWQONDC-IBGZPJMESA-N 366.505 3.789 0 40 FHAB CCOC(C)(C)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1 225647480 HIWKYCRLKSSLBN-IAGOWNOFSA-N 362.514 3.797 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 224259828 OXTWRRYJIPCACE-NRFANRHFSA-N 366.505 3.789 0 40 FHAB CCCCOc1ccc(NC(=O)[C@](C)(OCC)C2CC2)cc1C(=O)OC 225835789 CWILZUPPXXUXDO-HXUWFJFHSA-N 363.454 3.796 0 40 FHAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)n1C 223377491 BLFDWNLUALGEFQ-UXHICEINSA-N 362.502 3.901 0 40 FHAB CC(C)c1nnc2ccc(SCC(=O)Nc3cccc(Cl)c3)nn12 524735338 UFDIMRKZZFIALB-UHFFFAOYSA-N 361.858 3.632 0 40 FHAB COc1ncccc1C(=O)N1C[C@H]2[C@@H](Oc3ccccc3Cl)CC[C@H]2C1 257338783 YYYWRHQARCQYST-LXZKKBNFSA-N 372.852 3.673 0 40 FHAB CC1(C)CC2(CCN(CC(=O)Nc3ccc(OC(F)F)cc3)CC2)CO1 257286087 PKDSBFKSDQTXCR-UHFFFAOYSA-N 368.424 3.508 0 40 FHAB C[C@H](NC(=O)Nc1ccc2c(c1)COC2)[C@H]1CCN(Cc2ccccc2)C1 376823529 PLZXBKPWLRYIOO-WMZOPIPTSA-N 365.477 3.749 0 40 FHAB COC(=O)[C@H]1CN(C(=O)C2(c3cccc(Cl)c3)CC2)Cc2ccccc21 600746499 HSMUOBAEEISSJZ-SFHVURJKSA-N 369.848 3.671 0 40 FHAB CN(C)c1ccc(C(=O)NCc2ccc([C@H](O)c3cccs3)s2)cc1 90613543 RYIYELALSZHNKV-GOSISDBHSA-N 372.515 3.887 0 40 FHAB COc1cccc2cc(C(=O)Nc3ccccc3Cc3nc(C)no3)oc12 96097028 QZOFEEBJHZZOAM-UHFFFAOYSA-N 363.373 3.976 0 40 FHAB Cc1nc(COc2ccc(C(=O)N(C)c3ccc(F)c(F)c3)cc2)no1 56227578 ADYAGAGYDVLZBT-UHFFFAOYSA-N 359.332 3.512 0 40 FHAB CC[C@@H](C)NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 5043573 UIFUXZCJCAGXFM-BREBYQMCSA-N 356.348 3.665 0 40 FHAB CC(C)C[C@H](NC(=O)Cc1ccc(F)cc1)c1nc2cccnc2n1C 12220135 SJVCETVYXLRFAE-KRWDZBQOSA-N 354.429 3.554 0 40 FHAB Clc1ccc(CCNc2ncnc3c2nnn3Cc2ccccc2)cc1 12481353 CPSJZUGHDKVRLW-UHFFFAOYSA-N 364.840 3.578 0 40 FHAB COc1ccc(CNC(=O)CCc2ncc(-c3ccccc3)o2)cc1OC 12823946 UZJXACQWBLTBRF-UHFFFAOYSA-N 366.417 3.608 0 40 FHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@H](C)Oc2ccccc2F)c1 19078617 STLWLEFDEUNCDD-KBXCAEBGSA-N 373.424 3.974 0 40 FHAB Cc1cc(C[C@@H]2CCC[C@H]2NC[C@H](C)Cc2ccc3c(c2)OCO3)on1 19120501 HKMQGNJHBULSIX-DKSSEZFCSA-N 356.466 3.891 0 40 FHAB COc1ccc(-c2[nH]c3ncccc3c2CN2C[C@H](C)O[C@H](C)C2)cc1 19497537 SYFATPZOLSEJKU-GASCZTMLSA-N 351.450 3.848 0 40 FHAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(-c2ccccc2F)s1 19661403 SEHDVFAILPAIAC-SNVBAGLBSA-N 361.373 3.889 0 40 FHAB CCc1cc(C(=O)NCc2ccccc2N2CCCC2)c2c(C)noc2n1 19714495 PGFLJFBFTGSOII-UHFFFAOYSA-N 364.449 3.624 0 40 FHAB c1ccc(-c2cc(-c3cccnc3)n3nc(-c4ccncc4)nc3n2)cc1 19960950 LEVKIWYGJRZVLV-UHFFFAOYSA-N 350.385 3.915 0 40 FHAB Cc1c(/C=C2/Sc3nnc(C(F)F)n3N=C2c2ccccc2)cnn1C 2776642 CDTMKAUFPFIKPH-MDWZMJQESA-N 372.404 3.657 0 40 FHAB C[C@H]1CCCC[C@]12NC(=O)N(Cc1csc(-c3ccsc3)n1)C2=O 9951662 MHQRVSRWPZKKKX-GTNSWQLSSA-N 361.492 3.872 0 40 FHAB CN(C)CCN(C(=O)CCc1ccccc1)c1nc2c(F)cccc2s1 4359290 ASHNKGMDQNBKPB-UHFFFAOYSA-N 371.481 3.963 0 40 FHAB CCOC(=O)c1ccc(NC(=O)Cc2cc(-c3ccc(F)cc3)on2)cc1 12864622 NEEFENKXATTXRS-UHFFFAOYSA-N 368.364 3.839 0 40 FHAB COc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)c1ccco1 26772132 LBJSBAVMHKMSEJ-LKUPVBHCSA-N 355.434 3.797 0 40 FHAB biogenic Fc1cccc(CN2CCC(N3CCN(c4ccccc4)CC3)CC2)c1 20079499 LBKHDUOMTXIYGA-UHFFFAOYSA-N 353.485 3.612 0 40 FHAB CCN(C(=O)[C@@H](C)S(=O)(=O)Cc1ccccc1Cl)c1ccccc1 40106058 UIVAOFGABSHEGW-CQSZACIVSA-N 365.882 3.696 0 40 FHAB CCOc1ccc(CN(C)C(=O)c2ccccc2OC(F)F)cc1OC 40160384 LYLSWHDXHABRLG-UHFFFAOYSA-N 365.376 3.968 0 40 FHAB CC[C@H](C)[C@@H](N)C(=O)Oc1ccc2c(=O)c(Oc3ccccc3)coc2c1 20111186 OWHLPMCKCJULPG-ORAYPTAESA-N 367.401 3.864 0 40 FHAB biogenic O=C(N[C@H]1CCOc2ccccc21)c1csc(Cc2ccccc2)n1 31578684 SSSPLUUCUMWHHD-INIZCTEOSA-N 350.443 3.988 0 40 FHAB CSc1ccc(CNC(=O)c2nnn(-c3ccc(Cl)cc3)c2C)cc1 51318104 ZFBJPFQMCNHMQG-UHFFFAOYSA-N 372.881 3.881 0 40 FHAB O=C(Oc1cccc(-n2cnnn2)c1)c1sc2ccccc2c1Cl 873829 XHJDGMSFENJIGC-UHFFFAOYSA-N 356.794 3.750 0 40 FHAB aggregator CC(=O)c1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1 2636069 MBZVNXOKCQGLDC-UHFFFAOYSA-N 367.518 3.840 0 40 FHAB C[C@@H](O)CNc1nc2ccccc2n1Cc1coc(-c2cccs2)n1 21196855 SUILATLIGQKORV-GFCCVEGCSA-N 354.435 3.594 0 40 FHAB Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)cc1C 41095294 QQMGFLBNROHQNC-IINYFYTJSA-N 360.317 3.923 0 40 FHAB CC(=O)N[C@H](CC(=O)N[C@H](C)c1cccs1)c1ccc(Cl)cc1 32736302 AKEBVBNSAKZYLR-IAQYHMDHSA-N 350.871 3.846 0 40 FHAB COCCN(C(=O)Nc1ccc(OC)cc1)c1nc2ccccc2s1 4968543 BKWNBMRIPRRWHG-UHFFFAOYSA-N 357.435 3.990 0 40 FHAB CC(=O)N[C@H](CC(=O)Nc1ccc(F)c(F)c1)c1ccccc1Cl 32922305 UBKVIVPXECVGAG-MRXNPFEDSA-N 352.768 3.824 0 40 FHAB CC1(C)CC2=Nc3nonc3N[C@@H](c3cccc4nccnc34)C2=C(O)C1 102740445 RYIHDONODUOORI-INIZCTEOSA-N 362.393 3.884 0 40 FHAB Cc1ccc(CNC(=O)Cc2csc(COc3ccccc3)n2)cc1 33326143 QQGVRIQSSFABKR-UHFFFAOYSA-N 352.459 3.889 0 40 FHAB COc1ccccc1NC(=O)c1cc(O)c(OCc2ccccc2)cn1 12168394 PQJPQECXKWLDTR-UHFFFAOYSA-N 350.374 3.627 0 40 FHAB C[C@H](Sc1nnc2n1CCCCC2)C(=O)N[C@H](C)CCc1ccccc1 9608785 SPUAMYVYVVHDHM-CVEARBPZSA-N 372.538 3.623 0 40 FHAB Cc1csc(NC(=O)CSc2ncnc3sc(C)c(C)c23)n1 929248 WKHNSKDLOYMVQK-UHFFFAOYSA-N 350.494 3.804 0 40 FHAB CCOC(=O)[C@@H]1CCCN([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 105119463 QYNVFLZSLOSVSD-VXGBXAGGSA-N 373.280 3.596 0 40 FHAB CN(C)c1c(F)cc(NC(=O)CCCc2nc3ccccc3[nH]2)cc1F 54634061 RCENFAAWLSFASL-UHFFFAOYSA-N 358.392 3.869 0 40 FHAB CN(C)c1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Cl)cc1 12419668 UVILATFDGDIPHR-UHFFFAOYSA-N 368.867 3.955 0 40 FHAB Cc1sc2nc(SCC(=O)c3cc(C)n(C)c3C)nc(N)c2c1C 24834012 RSQPFUIHNQCPCT-UHFFFAOYSA-N 360.508 3.821 0 40 FHAB O=C(c1cnc(-c2ccccc2)nc1-c1ccccc1)N1CCSCC1 1381803 KDKZQQKNCZHNGQ-UHFFFAOYSA-N 361.470 4.000 0 40 FHAB CC[C@H](C)N(Cc1ccccc1)C(=O)CCNC(=O)c1cccc(C)c1 24985921 RHEJWQAWEUZEKT-SFHVURJKSA-N 352.478 3.942 0 40 FHAB CCS(=O)(=O)Nc1ccc(C(=O)N[C@H](C)c2cc(C)ccc2C)cc1 113943693 JVYJTAHTIJRNMR-OAHLLOKOSA-N 360.479 3.556 0 40 FHAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccc2[nH]ncc2c1 12525644 IIZANRKUWYUYLZ-UHFFFAOYSA-N 359.311 3.570 0 40 FHAB Cc1cc(=O)n(CC(=O)Nc2ccccc2Cl)c(-c2ccccc2)n1 57526277 MTCHYFKBSJLZLK-UHFFFAOYSA-N 353.809 3.511 0 40 FHAB CCOCCSc1nc2ccccc2c(=O)n1-c1cccc(OC)c1 3224284 XIOADPXQTXUGGH-UHFFFAOYSA-N 356.447 3.523 0 40 FHAB O=C(COC(=O)c1cccs1)Nc1ncc(C(F)(F)F)cc1Cl 3237591 AKYAWIICHPPYCY-UHFFFAOYSA-N 364.732 3.611 0 40 FHAB O=C(NCCNc1ncccn1)Nc1ccccc1Oc1cccc(F)c1 57826688 FOFWROZEIPAVBB-UHFFFAOYSA-N 367.384 3.642 0 40 FHAB COc1cccc(CN2CCC(NC(=O)CCCc3ccccc3)CC2)c1 58011236 VOPRIKFRFFKOFE-UHFFFAOYSA-N 366.505 3.799 0 40 FHAB Cc1ccc(OCc2nc(CSc3nnc(N)s3)cs2)cc1 10214087 BXSXXCGRNFKXEG-UHFFFAOYSA-N 350.494 3.757 0 40 FHAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2nccs2)CC1 10270034 KFJYLARGKLNYDC-HNNXBMFYSA-N 373.522 3.557 0 40 FHAB CCOC(=O)COc1ccc2c(=O)c(Oc3ccccc3OC)coc2c1 2102685 YAYOLJGQOZBPCU-UHFFFAOYSA-N 370.357 3.536 0 40 FHAB biogenic O=C(OCC(=O)N1CCc2ccccc21)c1c(Cl)cccc1Cl 3350872 GUYCXFQWNWHBJC-UHFFFAOYSA-N 350.201 3.740 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)c1C 3321430 CTDWLKVBUDNUNE-UHFFFAOYSA-N 362.813 3.591 0 40 FHAB C[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)n1cc(C(F)(F)F)ccc1=O 3363011 YVRNIAKDFSZULI-BLLLJJGKSA-N 364.367 3.622 0 40 FHAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2 3368332 KKHZPLOKZLUACB-UHFFFAOYSA-N 361.463 3.865 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(N2C(=O)CCC2=O)cc1 36674298 BJKSZGMRYCGTTN-UHFFFAOYSA-N 363.200 3.899 0 40 FHAB CC1=C(C(=O)OCC(C)C)[C@@H](c2cccs2)N2C(=O)CCSC2=N1 2484723 RNJSOZYEHVYXRS-OAHLLOKOSA-N 364.492 3.598 0 40 FHAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)c1ccccc1Cl 12736963 PTQSFQMSYAEXIQ-ZIAGYGMSSA-N 360.841 3.832 0 40 FHAB COc1cccc([C@H](NC(=O)c2ccccc2Cl)c2nccn2C)c1 29092355 KGLVLGKSVPVBCU-KRWDZBQOSA-N 355.825 3.602 0 40 FHAB Cc1cccc(-n2ccnc2SCc2cc(=O)n3ccsc3n2)c1C 7738541 AQXOXIGVAKBSHX-UHFFFAOYSA-N 368.487 3.851 0 40 FHAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H]1c1ccccc1 12819636 RZZPQDKAXZLQIV-VQIMIIECSA-N 352.434 3.665 0 40 FHAB CC[C@@H]1CN(Cn2nc(-c3cccs3)n(C3CC3)c2=S)CCO1 12862595 DHQDXTNIUDXIMF-CYBMUJFWSA-N 350.513 3.546 0 40 FHAB CN(CCCNC(=O)Nc1cccc(-n2cccn2)c1)Cc1ccccc1 48553904 XKEBZFBVKYSRDI-UHFFFAOYSA-N 363.465 3.516 0 40 FHAB CCc1ccc([C@H](NC(=O)CNC(=O)Nc2ccccc2)C(C)C)cc1 12924145 XHEWUEZPAGNNFR-HXUWFJFHSA-N 353.466 3.884 0 40 FHAB O=C(NCc1cccc(NC(=O)C2CC2)c1)NCc1ccccc1Cl 12994262 NVYKWLKRDUJOHO-UHFFFAOYSA-N 357.841 3.688 0 40 FHAB CCCCCc1nnc(NC(=O)c2cc(OC)c(OC)cc2OC)s1 7814046 DDSRDQYIKMHWQX-UHFFFAOYSA-N 365.455 3.549 0 40 FHAB CCC(=O)Nc1ccc(C(=O)CSc2nnc(C3CC3)n2C2CC2)cc1 7902767 BNDVNKCETDQANK-UHFFFAOYSA-N 370.478 3.814 0 40 FHAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(CCC(C)C)C2=O)c(C)n1C(C)C 8491131 DHHHQXVDEBPDNZ-HXUWFJFHSA-N 361.486 3.615 0 40 FHAB Cc1cc(N2CCO[C@@H](c3ccc(F)cc3)C2)nc(-c2ccncc2)n1 68874874 ZSOVQHXEJSWGPD-GOSISDBHSA-N 350.397 3.564 0 40 FHAB c1cn2c(NC3CCCC3)c(-c3ccc(N4CCOCC4)cc3)nc2cn1 3896503 SGMYNROCPKZXIH-UHFFFAOYSA-N 363.465 3.587 0 40 FHAB CN(Cc1ccccc1C(F)(F)F)C(=O)C[C@@H]1C(=O)Nc2ccccc21 63876770 YZWFZVFMSVOKAN-AWEZNQCLSA-N 362.351 3.790 0 40 FHAB O=C(Cn1c(-c2cscn2)nc2ccccc21)N1CCc2ccccc21 8135762 HGTMRPRXGNVDBW-UHFFFAOYSA-N 360.442 3.749 0 40 FHAB C[C@@H]1CCCN(C(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)C1 5111246 DCUWSSGDSSHOMI-MRXNPFEDSA-N 353.418 3.894 0 40 FHAB Cc1ccc(-c2csc3ncnc(N[C@H](C)Cn4cncn4)c23)cc1 69192811 AELJQJJNGBTJOP-CYBMUJFWSA-N 350.451 3.759 0 40 FHAB Cc1noc(C)c1S(=O)(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 14160198 FKDSCELHTQXCDA-CYBMUJFWSA-N 356.447 3.998 0 40 FHAB NC(=O)Nc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1 14520001 DATTWCIEDMDSTD-FQEVSTJZSA-N 359.429 3.891 0 40 FHAB CC(=O)c1ccc(OCCCC(=O)Nc2ccnn2C2CCCC2)cc1 6648314 GEBZBLFXNSWLBV-UHFFFAOYSA-N 355.438 3.999 0 40 FHAB O=C(OCC(=O)c1ccc(Br)s1)c1ccc(Cl)nc1 6636645 HHLVDNDEMYZJRL-UHFFFAOYSA-N 360.616 3.599 0 40 FHAB Cc1nc(COc2ccccc2C(=O)NC23CC4CC(CC(C4)C2)C3)no1 14731655 JBZMCXWBLXVPGO-UHFFFAOYSA-N 367.449 3.656 0 40 FHAB CN(C)C(=O)[C@@H](OC(=O)c1c(Cl)cccc1Cl)c1ccccc1 6841672 BEOYBWITMYNZLA-HNNXBMFYSA-N 352.217 3.980 0 40 FHAB CCOC(=O)c1cc(-c2cccnc2)nc2nc(N3CCCCC3)sc12 6831233 GVBPWGVXCNHYBK-UHFFFAOYSA-N 368.462 3.920 0 40 FHAB Cc1cn2cc(NC(=O)Cc3cc(Cl)c4c(c3)OCCCO4)ccc2n1 69443523 ISIIMRUDKGYLFN-UHFFFAOYSA-N 371.824 3.639 0 40 FHAB CC(=O)c1cc(Cl)ccc1OCC(=O)Nc1cccc2nsnc12 19107258 WBNGABZHSOKRKR-UHFFFAOYSA-N 361.810 3.565 0 40 FHAB C[C@H](NC(=O)CCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 9553782 VNXMZXXVAPVHFH-BZSISCHUSA-N 354.494 3.729 0 40 FHAB CCn1c(CN(C)[C@H](C)C(=O)NCC2CCCCC2)nc2ccccc21 72308271 HIPRHZCSQCLTQL-MRXNPFEDSA-N 356.514 3.573 0 40 FHAB COc1cc(OC)cc(-c2nnc(S[C@@H](C)OC(=O)OC(C)C)o2)c1 72312924 BDXPHYHMZYCTQT-JTQLQIEISA-N 368.411 3.754 0 40 FHAB CC(=O)Nc1cccc([C@@H](C)NC(=O)c2c[nH]nc2-c2ccccc2F)c1 87065181 UBGKUIRKRSVDGL-GFCCVEGCSA-N 366.396 3.665 0 40 FHAB C[C@@H](NC(=O)[C@]1(C)CCCN1C(=O)OC(C)(C)C)c1ccc(F)c(F)c1 84647878 QDDPEEBKDWXKFI-BLVKFPJESA-N 368.424 3.932 0 40 FHAB CCc1noc(CC)c1CNC(=O)N(Cc1ccc(F)cc1F)C1CC1 88623716 ATEGGWSHGGRFLC-UHFFFAOYSA-N 363.408 3.952 0 40 FHAB CCOC(=O)Nc1cccc(C(=O)NCCCN(C)Cc2ccccc2)c1 9952957 KHLHVJOYICTVRO-UHFFFAOYSA-N 369.465 3.507 0 40 FHAB CCOc1cccnc1C(=O)O[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 75105881 HTTQTRQLDIOSHK-CQSZACIVSA-N 370.449 3.962 0 40 FHAB Clc1cccc(N2CCCC2)c1CNCCc1nnc2n1CCCCC2 89768051 KEBWFXLAGJTNMF-UHFFFAOYSA-N 373.932 3.590 0 40 FHAB c1cc(CN2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cs1 306131200 JYMUFVAGKOTXGC-QGZVFWFLSA-N 367.522 3.771 0 40 FHAB O[C@@H](CSc1ccccc1)CN1CCN(c2cccc(Cl)c2)CC1 31666883 VVGRGELMCDPQSV-GOSISDBHSA-N 362.926 3.615 0 40 FHAB Cc1ccc(-c2noc(CSCC(=O)N[C@@H]3CCCC[C@@H]3C)n2)cc1 36395279 SCISGHFYQVASII-GOEBONIOSA-N 359.495 3.973 0 40 FHAB CCOC(=O)c1cc(NS(=O)(=O)Cc2ccccc2F)ccc1Cl 216461762 WBHIIRBXOZBADN-UHFFFAOYSA-N 371.817 3.598 0 40 FHAB COc1cc(/C=C2/NC(=O)NC2=O)ccc1OCc1ccc2ccccc2c1 409052759 AGHZBKBPLIEUDV-WOJGMQOQSA-N 374.396 3.608 0 40 FHAB CCOc1ccc(Cl)cc1S(=O)(=O)N(CC)Cc1ccccc1 32603645 QAEHBOXXUZTSOG-UHFFFAOYSA-N 353.871 3.950 0 40 FHAB CCOc1ccc(NC(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)cc1 70640301 LERKAKSIMQALGF-INIZCTEOSA-N 368.355 3.959 0 40 FHAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)C1 38849361 IYYDQSOWIFIAMO-HNNXBMFYSA-N 352.434 3.900 0 40 FHAB COc1ccccc1CNC(=O)c1cc(OC)c2cc(F)cc(C)c2n1 72329498 VZJYPCZHFJADNP-UHFFFAOYSA-N 354.381 3.630 0 40 FHAB Cc1cc(S(=O)(=O)Nc2cccc(C)c2C)ccc1N1CCCC1=O 38771742 WOOULGXXGINFFK-UHFFFAOYSA-N 358.463 3.539 0 40 FHAB Cc1cc(C(F)(F)F)n2ncc(-c3noc(-c4ccc(F)cc4)n3)c2n1 36615056 ZHDLMYZFTQPKMC-UHFFFAOYSA-N 363.274 3.913 0 40 FHAB COc1ccc(-c2cc3c(=O)n(Cc4ccc(Cl)cc4)ccn3n2)cc1 64977405 GWLJDIVRFIBIGA-UHFFFAOYSA-N 365.820 3.873 0 40 FHAB COc1ccc(-c2cnc(N)nc2[C@H]2CCCN2C(=O)C2CCCC2)cc1 72354821 WSQYKXRDRMHFDW-GOSISDBHSA-N 366.465 3.588 0 40 FHAB c1ccc(CCCN2CCC[C@@H]2c2ccnc(Nc3cnccn3)n2)cc1 72377920 YDQXVJKMVQUFIE-LJQANCHMSA-N 360.465 3.780 0 40 FHAB O=C1CCCN1Cc1ccccc1CNC(=S)Nc1cccc(Cl)c1 45704294 LEWZXCPSVGESEX-UHFFFAOYSA-N 373.909 3.949 0 40 FHAB Cc1nccn1Cc1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1 44882690 SYMYTJHMCCOINS-UHFFFAOYSA-N 363.461 3.957 0 40 FHAB COc1ccc([C@H](C)NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1 44933111 WDVLMUIGDYQGME-PXNSSMCTSA-N 352.478 3.785 0 40 FHAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1 224517263 SWGITRPEOPCDPS-OAQYLSRUSA-N 366.505 3.809 0 40 FHAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(N2CCOCC2)cc1 225015311 VSJOJXUXABSQDM-FQEVSTJZSA-N 368.477 3.936 0 40 FHAB COc1ccc(NC(=S)NCc2cccc(OC(C)C)c2)c(OC)c1 225523011 ULRCWLYPAZUTLL-UHFFFAOYSA-N 360.479 3.978 0 40 FHAB CC(C)(C)OC(=O)N1CC[C@@H](NCCc2cccc(Br)c2)C1 89223455 XBLATSAIKIAMQF-OAHLLOKOSA-N 369.303 3.591 0 40 FHAB CCc1ccc(NC(=O)[C@@H](C)N(c2ccc(CC)cc2)S(C)(=O)=O)cc1 220265635 YEJQASDKKHATPQ-OAHLLOKOSA-N 374.506 3.605 0 40 FHAB Cc1ccc(CN2CCC(C(=O)NCCOc3ccc(F)cc3)CC2)cc1 224531816 NHBVAOXYDDXEPE-UHFFFAOYSA-N 370.468 3.541 0 40 FHAB O=C1CN[C@H](c2cccc(Cl)c2)c2cc(Br)ccc2N1 225537068 YDWWTLPDMXYVJO-OAHLLOKOSA-N 351.631 3.734 0 40 FHAB Cc1cccc(CO[C@@H]2CO[C@@]3(CCCN(Cc4ccsc4)C3)C2)n1 96208529 PGMUGGAVPSULSV-PMACEKPBSA-N 358.507 3.792 0 40 FHAB Cc1ncsc1CN1CCN(C)C[C@H](Cc2cncc3ccccc23)C1 257316682 VGNYXBRLOJJHIJ-KRWDZBQOSA-N 366.534 3.606 0 40 FHAB O=C(Nc1cccc2ncccc12)c1cnc(O[C@H]2CCOC2)c(Cl)c1 253472074 IOQFORKPZZPRTC-ZDUSSCGKSA-N 369.808 3.703 0 40 FHAB C[C@]12CCCN[C@@H]1CCCN2C(=O)c1cccc(Cc2ccccc2F)n1 257205260 AYGIVGKOVNCFDD-IRLDBZIGSA-N 367.468 3.558 0 40 FHAB O=C(O)[C@@H](c1ccsc1)N1CCC(c2ccc3cccnc3n2)CC1 656191840 RAXVSYYQPCRYME-QGZVFWFLSA-N 353.447 3.697 0 40 FHAB CCC(CC)C(=O)N1CCC[C@@H](N(C)C(=O)c2c(F)cc(F)cc2F)C1 1615611724 PGLLFPHSSUZIDH-CQSZACIVSA-N 370.415 3.603 0 40 FHAB O=C(NCCc1c[nH]c2cc(F)ccc12)N1CCC[C@H]1c1ccccn1 51754672 VVNOURHQZCUGAC-IBGZPJMESA-N 352.413 3.791 0 40 FHAB Cc1cccc(-n2cnc3cc(C(=O)NCc4cccc(CO)c4)ccc32)c1 1636138721 VFVJEHHTMVPVSV-UHFFFAOYSA-N 371.440 3.756 0 40 FHAB COCCOC(=O)c1c(C)n(Cc2ccc(OC)cc2)c2ccc(O)cc12 4622911 CXYPWLXWQZPXPL-UHFFFAOYSA-N 369.417 3.515 0 40 FHAB Cc1ccccc1-n1ncc2c1ncn1nc(CCc3ccccc3)nc21 5206118 IZLGYHLBHNZYPT-UHFFFAOYSA-N 354.417 3.557 0 40 FHAB C[C@H]1Nc2ncnn2[C@@H](c2ccccc2)[C@@H]1C(=O)Nc1ccc(Cl)cc1 11694759 PPYDHAFKAWNMRG-JLZZUVOBSA-N 367.840 3.590 0 40 FHAB Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(F)cc3)CC1)O2 12293753 MCZKOYYYOZMNKA-WOJBJXKFSA-N 371.452 3.518 0 40 FHAB O=C(CSc1ccccc1)Nc1nc2ccccc2nc1N1CCCC1 12943361 QGTPCMBHSCJTCJ-UHFFFAOYSA-N 364.474 3.961 0 40 FHAB COc1ccc(C[C@H]2COC[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC 13378003 DMDLIQAXFOCGBP-ROUUACIJSA-N 372.461 3.769 0 40 FHAB biogenic,in-vitro COc1ccc(CCNC(=O)c2ccc3c4c(cccc24)CC3)cc1OC 14062597 WDLITXIVZWWBCX-UHFFFAOYSA-N 361.441 3.928 0 40 FHAB Cc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1C 19946708 ZMASHPGDWMQLNM-UHFFFAOYSA-N 374.506 3.832 0 40 FHAB COc1ccc2c(c1)CCc1cc(C(=O)OCC(=O)c3ccc[nH]3)sc1-2 12176196 YEZLJYWHOJQSKP-UHFFFAOYSA-N 367.426 3.890 0 40 FHAB Cc1cc(C)n(-c2ccc(NC(=O)c3cc(Cl)c4c(c3)OCO4)cn2)n1 31217455 JAWJXXUEZMDACT-UHFFFAOYSA-N 370.796 3.519 0 40 FHAB O=C(c1sccc1F)N1CCC[C@@]2(CCCN(Cc3ccccn3)C2)C1 2056224133 SHBNQNMNWDRLSP-HXUWFJFHSA-N 373.497 3.801 0 40 FHAB COc1ccc(CCNC(=O)COc2ccc(C(C)C)c(C)c2)cc1OC 946923 OZLCKGAZMOYCRV-UHFFFAOYSA-N 371.477 3.873 0 40 FHAB biogenic Cc1cccc(CSC2=NCCN2C(=O)[C@@H](C)Oc2ccccc2)c1 4120226 AFDGACOZXXUNKE-MRXNPFEDSA-N 354.475 3.894 0 40 FHAB COc1ccc([C@@H](NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c2ccccc2)cc1 4573467 CLDXKPCFEJOELW-AABGKKOBSA-N 365.429 3.568 0 40 FHAB O=S(=O)(c1ccccc1)N1CCn2cccc2[C@@H]1c1ccc(F)c(F)c1 4853960 YCWVVRDANRPBJR-IBGZPJMESA-N 374.412 3.560 0 40 FHAB COc1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)c1 5136371 ZSODVJAPVYFLHY-UHFFFAOYSA-N 352.434 3.883 0 40 FHAB COc1cccc(C(=O)Nc2nnc(-c3ccccc3SC)o2)c1OC 5240219 SYUNICWXVZEVOJ-UHFFFAOYSA-N 371.418 3.728 0 40 FHAB Cc1cccc(Cn2cc(C(=O)Nc3cc(F)ccc3F)ccc2=O)c1 8600465 BQLCCLXYMPFZAD-UHFFFAOYSA-N 354.356 3.736 0 40 FHAB Cc1ccccc1-c1ccc(N2CCC(C(=O)Nc3cccnc3)CC2)nn1 23143315 TUFKQHSTFJSGML-UHFFFAOYSA-N 373.460 3.702 0 40 FHAB O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)O)c1cc2ccccc2o1 16525728 GXOBKFHFOMNPCZ-UHFFFAOYSA-N 374.805 3.911 0 40 FHAB CC(C)(C)c1n[nH]c(SC[C@@H](O)COc2ccc3ccccc3c2)n1 40034463 KYWMUMDQMWPWKU-HNNXBMFYSA-N 357.479 3.787 0 40 FHAB Cc1nc(S[C@@H](C(=O)NCc2cccnc2)C(C)C)n(C2CC2)c1C 50247965 DBFTXJDXRKAEQH-QGZVFWFLSA-N 358.511 3.663 0 40 FHAB CCN1CCc2nc3sc(C(=O)Nc4cccc(C)c4)c(N)c3cc2C1 20289939 JTWRAGNIYCBSAD-UHFFFAOYSA-N 366.490 3.817 0 40 FHAB Ic1ccccc1OCc1nc(-c2ccco2)no1 31657785 HVQFQCXPXQVVOX-UHFFFAOYSA-N 368.130 3.513 0 40 FHAB O=C(Nc1ccccc1)N(CCCN1CCOCC1)Cc1ccccc1F 20437070 SFIOEWAWADKDIK-UHFFFAOYSA-N 371.456 3.582 0 40 FHAB COc1ccccc1N1C(=S)N[C@H]2c3cccc(OC)c3O[C@@]1(C)[C@H]2C 101390482 CHHARZCHSDTLHS-TUIFFPIZSA-N 370.474 3.884 0 40 FHAB C[C@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccc(F)cc1F 29765172 DACTYYRLSCZLOW-ZDUSSCGKSA-N 358.388 3.578 0 40 FHAB Cc1cccc2cc(CN(C(=O)C3CCC3)C3CCCC3)c3nnnn3c12 1376736 ZRKNWFVEVAUHHC-UHFFFAOYSA-N 363.465 3.657 0 40 FHAB O=C(c1ccccc1)N1CCO[C@](O)(c2ccccc2)[C@@H]1c1ccccc1 1664732 AKDFQEHQNVGHEX-JTHBVZDNSA-N 359.425 3.746 0 40 FHAB CCCC(=O)N(C)C1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 1677761 XSBANHHFPNZHDT-UHFFFAOYSA-N 369.852 3.990 0 40 FHAB CCOC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(CC)cc1 3426080 KJZPGKUQGCSPDZ-UHFFFAOYSA-N 368.462 3.547 0 40 FHAB O=C(COC(=O)c1cc2c(s1)CCCCC2)NCc1ccc(F)cc1 3552965 HRJLZUDWONUFFG-UHFFFAOYSA-N 361.438 3.629 0 40 FHAB Cc1cccc(NC(=S)N2CCC(NC(=O)c3ccccc3)CC2)c1C 4857696 XDNIEQVLNGPUNB-UHFFFAOYSA-N 367.518 3.895 0 40 FHAB CCC(C)(C)NC(=O)[C@@H](OC(=O)c1cccs1)c1ccccc1OC 4901388 LQXHPZVZAUAPEE-INIZCTEOSA-N 361.463 3.960 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)c1cnc(Cl)c(Cl)c1 6643244 YXZMCYKWMPWFIF-OPQQBVKSSA-N 359.253 3.629 0 40 FHAB CC(=O)Nc1cccc(NC(=O)[C@@H](C)Sc2nc3ccccc3n2C)c1 21664924 VHNPJZXEMKPGJP-GFCCVEGCSA-N 368.462 3.651 0 40 FHAB Cc1cccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)CC2)c1C 7504845 ZPWJEZQTFWIZCS-QGZVFWFLSA-N 356.441 3.559 0 40 FHAB CCN(C(=O)[C@H](C)Sc1nnnn1-c1ccc(C)cc1)C1CCCCC1 8282783 YXMVHCMXVBANJH-HNNXBMFYSA-N 373.526 3.633 0 40 FHAB CCOc1ccc(-n2nc3cc(C)c(NC(=O)C(F)(F)F)cc3n2)cc1 8071142 NCHODWYCLDQKNE-UHFFFAOYSA-N 364.327 3.628 0 40 FHAB O=C(CCCC(=O)OCC(=O)Nc1ccccc1)Nc1cccc(Cl)c1 8433482 NREGAPWLNPAOMG-UHFFFAOYSA-N 374.824 3.631 0 40 FHAB CCC(CC)c1nnc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)s1 57329230 YIQFSIBDCHYTJH-GFCCVEGCSA-N 368.503 3.780 0 40 FHAB O=C(NCCCn1cccc1)c1ccc(CN2CCc3ccccc3C2)cc1 20568019 XITVJJJAPSYRJI-UHFFFAOYSA-N 373.500 3.867 0 40 FHAB CN(C)[C@H](CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccco1 23236011 JBHDTJFPJRMOFM-LJQANCHMSA-N 351.450 3.672 0 40 FHAB COc1ccc(C)cc1CN1C[C@@H]2CCC[C@@H](C1)C2(O)c1ncccc1C 100775433 MVIJRIXUBRTWSZ-PMACEKPBSA-N 366.505 3.827 0 40 FHAB O=C(N[C@H]1SC(c2ccccc2)=N[C@@]1(O)c1ccccc1)c1ccccc1 3124425 HIMKAGWZUKMDFI-FCHUYYIVSA-N 374.465 3.781 0 40 FHAB COc1ccc(-n2cnnc2SCC(=O)Nc2cc(C)ccc2C)cc1 12592374 QUMWUZWSFISABX-UHFFFAOYSA-N 368.462 3.624 0 40 FHAB Cc1cc(C(=O)Nc2cccc(Cn3cccn3)c2)c(C)n1-c1cccnc1 25134244 DQLOFBDSSWYADP-UHFFFAOYSA-N 371.444 3.986 0 40 FHAB O=C(NC1CC1)C1CCN(C(=O)C2(c3cccc(F)c3)CCCCC2)CC1 57239430 LRIWEGPIVNSJIW-UHFFFAOYSA-N 372.484 3.545 0 40 FHAB Cc1c(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)oc2ccccc12 10815726 QCVXHMDSIGZXFQ-UHFFFAOYSA-N 359.389 3.982 0 40 FHAB O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1cccc(F)c1 20610336 UDBDGJFUDJVWMV-UHFFFAOYSA-N 350.328 3.951 0 40 FHAB O=c1cc(CSCc2cc(Cl)c3c(c2)OCO3)nc2ccccn12 12624463 JBMIQQPAOPMANP-UHFFFAOYSA-N 360.822 3.510 0 40 FHAB CC(C)[C@H](CNC(=O)NCc1ccccc1OCc1ccccc1)N(C)C 58202206 ITQXSXLRAHWKGJ-FQEVSTJZSA-N 369.509 3.651 0 40 FHAB C[C@H](Cc1ccc(N(C)C)cc1)NC(=O)c1nc(Cl)ccc1Cl 58366997 XVTRLDYSZCNTKK-LLVKDONJSA-N 352.265 3.815 0 40 FHAB CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(F)cc1 48280069 UGEYLPSBYMUFRA-IBGZPJMESA-N 356.445 3.739 0 40 FHAB CC(=O)Nc1ccc(C2=NN=C(N[C@@H]3CCC[C@@H](C)[C@H]3C)SC2)cc1 12797625 FZNMPBGZFXVHTB-PBFPGSCMSA-N 358.511 3.866 0 40 FHAB COc1ccccc1NC(=O)COC(=O)c1occc1-c1cccs1 8328759 TXOIZNDHFPPFCK-UHFFFAOYSA-N 357.387 3.812 0 40 FHAB Cc1cc2nnc(S[C@@H](C)c3nc(-c4ccccc4)no3)n2c(C)n1 48353842 RHEHAPNKABCMTC-NSHDSACASA-N 352.423 3.644 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CNC[C@@H](c1cccs1)N(C)C 22787357 VNKPJRHUGCXQSH-IBGZPJMESA-N 354.523 3.943 0 40 FHAB Cc1cnc(NC(=O)c2cc3cc(Br)ccc3oc2=O)s1 3427155 RKJZIXRGELWPCG-UHFFFAOYSA-N 365.208 3.573 0 40 FHAB CCC(=O)c1ccc(OCC(=O)Nc2ccccc2N2CCCC2)cc1 3618656 VJDPTVLPMZGPLB-UHFFFAOYSA-N 352.434 3.897 0 40 FHAB O=C(Nc1ccc(-c2noc(=O)[nH]2)cc1)c1cc2cc(Cl)ccc2o1 69443595 PWBZDDQNFZRKST-UHFFFAOYSA-N 355.737 3.682 0 40 FHAB C[C@@H](NC(=O)CSCc1ccccn1)c1nc(-c2ccccc2)c[nH]1 69456061 JUKWGFWIMBXFCR-CQSZACIVSA-N 352.463 3.582 0 40 FHAB CC1(C)C[C@@H](C(=O)COc2ccc3c4c(c(=O)oc3c2)CCCC4)CCO1 4027044 RVOMUWCEKOTEHE-AWEZNQCLSA-N 370.445 3.825 0 40 FHAB biogenic CCOC(=O)Nc1ccc2c(c1)nc1n2CCN(c2ccccc2OC)C1 13690036 BEIAOXSOQXEEQA-UHFFFAOYSA-N 366.421 3.634 0 40 FHAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2Cl)CC1=O 5016988 JMYZPUAODOVBKW-ZDUSSCGKSA-N 358.825 3.730 0 40 FHAB O=C(c1ccc(F)cc1)c1ccc(OC(=O)c2cn3ccccc3n2)cc1 5191928 SAVKGNDSGSKHIV-UHFFFAOYSA-N 360.344 3.924 0 40 FHAB CC[C@@H](C(=O)N(C)Cc1ccccc1N1CCOCC1)c1ccccc1 39995673 VLGSBGKKNXNZTL-HXUWFJFHSA-N 352.478 3.675 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 6392836 NXTSCRQWZWFDNR-AWEZNQCLSA-N 362.351 3.693 0 40 FHAB CCCN1C(=O)/C(=C/c2cc(Cl)c(OCC)c(Cl)c2)NC1=S 409085016 WIUMVCQJIPVERP-WQLSENKSSA-N 359.278 3.860 0 40 FHAB Cc1ccc([C@H]2c3c(ncn(N)c3=N)Oc3ccc4ccccc4c32)cc1 4649145 YKHYHBZDFOUOCP-GOSISDBHSA-N 354.413 3.824 0 40 FHAB C[C@@H]1C[C@@H](Sc2nc(-c3ccc(Br)cc3)c[nH]2)C(=O)O1 8719972 ZKXUQITTWSLOJL-PRHODGIISA-N 353.241 3.635 0 40 FHAB O=C(CN1C(=O)C(c2ccccc2)=NC12CCCCC2)Nc1ccccc1 6808630 FWSFTVFQSXBPAY-UHFFFAOYSA-N 361.445 3.617 0 40 FHAB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N1CCCC1 7160870 WVKKXFKAPODOEY-SNVBAGLBSA-N 355.385 3.752 0 40 FHAB CC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 7777748 AJFJVYKRFNGJOY-ZDUSSCGKSA-N 356.809 3.534 0 40 FHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)s2)c1 7813930 RNVWARCHFZTHAP-UHFFFAOYSA-N 372.899 3.684 0 40 FHAB COc1ccc(Cl)cc1NC(=O)CN1CCc2sccc2[C@@H]1C 7878470 WWUBIBIDUMHKKP-NSHDSACASA-N 350.871 3.968 0 40 FHAB CCCc1ccc(NC(=O)[C@@H](NC(=O)COc2ccccc2)C(C)C)cc1 8095191 RKGNGJALUWRNRC-NRFANRHFSA-N 368.477 3.797 0 40 FHAB C[C@@H](NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)c1nc2ccccc2[nH]1 9219948 QQGHVFVJUINNOT-SSDOTTSWSA-N 369.293 3.678 0 40 FHAB COc1cccc(S(=O)(=O)CCN2CCC[C@H](C(C)(C)C)CC2)c1 78759374 ICLQQLFOFXSMKR-INIZCTEOSA-N 353.528 3.617 0 40 FHAB C[C@H](NC(C)(C)CNC(=O)c1csc(NC2CC2)n1)c1ccccc1 78995644 MYMMBCAVKFFYMN-ZDUSSCGKSA-N 358.511 3.577 0 40 FHAB C[C@H]1CCCCN1C[C@@H]1CCCN(Cc2nc(Cc3ccccc3)no2)C1 84692269 DCVHEURVXSDGDC-AZUAARDMSA-N 368.525 3.747 0 40 FHAB FC(F)[C@@H](CCc1ccccc1)NCc1ccc(Cn2cncn2)cc1 95466821 JZHGOZBSBKIMHY-LJQANCHMSA-N 356.420 3.683 0 40 FHAB COc1ccc(S[C@@H](C)C(=O)NCCSCc2ccco2)cc1 30868721 UFQCDMGTPVGQEO-ZDUSSCGKSA-N 351.493 3.818 0 40 FHAB Cc1cccc(OCCNC(=O)N(C)CCOc2ccccc2Cl)c1 32863384 YCKUPAYVYFXUON-UHFFFAOYSA-N 362.857 3.748 0 40 FHAB Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3C(=O)c3ccccn3)n2)n1 72375215 GGWCTZQDBDTBLX-SFHVURJKSA-N 374.448 3.604 0 40 FHAB O=C(CCc1ccc2c(c1)CCO2)Nc1nc(-c2cccnc2)cs1 79485492 CZNJRLWTOKUBJZ-UHFFFAOYSA-N 351.431 3.711 0 40 FHAB O=S(=O)(c1ccc(Cl)cc1)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H]1CO 218592287 NRFDIODVMCMEAO-ARFHVFGLSA-N 357.258 3.542 0 40 FHAB c1cncc(-c2c[nH]c([C@@H]3COCCN3Cc3cnc4ccccc4c3)n2)c1 72322050 WAWXIUONOYNENU-NRFANRHFSA-N 371.444 3.593 0 40 FHAB biogenic,in-vitro CN(C)C(=O)/C=C\C(=O)OCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 32039576 PIPBPAQKOFACJY-KTKRTIGZSA-N 361.482 3.675 0 40 FHAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccc(OC)cc2)c1 30751658 ANXHNAQWWNLAHC-CYBMUJFWSA-N 359.447 3.991 0 40 FHAB COc1ccc(Cl)cc1NC(=O)Cc1noc(Cc2ccccc2)n1 35316294 SUFBNTMQZNYPCJ-UHFFFAOYSA-N 357.797 3.504 0 40 FHAB Cc1nc(N2CCOCC2)ccc1[C@@H]1CCCCN1Cc1ccccc1 72219651 GYTSBRYFHDEDEP-NRFANRHFSA-N 351.494 3.954 0 40 FHAB CCN1CCN(c2ccccc2NC(=O)N(CC)Cc2ccccc2)CC1 40103971 OOSLHLFMBAZABP-UHFFFAOYSA-N 366.509 3.883 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)nc2C)cc1 72217909 YUTODKYAHCERDJ-MRXNPFEDSA-N 350.871 3.878 0 40 FHAB COc1cc(OC)cc([C@H](C(=O)O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)c1 563282238 GLDVBSHWBWYRSQ-IPHXSNPTSA-N 369.461 3.955 0 40 FHAB COc1ccc([C@H](C)NC(=S)Nc2ccc(N3CCCC3=O)cc2)cc1 225465786 TYOPNSATGDIIPV-AWEZNQCLSA-N 369.490 3.870 0 40 FHAB CC[C@@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C)c1ccc(C)cc1 222440932 LTCXBTUGOMCPKA-GOSISDBHSA-N 374.506 3.580 0 40 FHAB O=C(N[C@@H]1COc2ccccc2C1)c1cc(-c2ccc(Cl)cc2)on1 195673643 FRALOJKRNKUOOO-HNNXBMFYSA-N 354.793 3.729 0 40 FHAB Fc1cccc(F)c1NC(=S)NCCCN1CCc2ccccc2C1 225743298 GHRGMHFBLCFZKJ-UHFFFAOYSA-N 361.461 3.700 0 40 FHAB CCC[C@](C)(OC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OCC)c1 225796546 HIHRXJCSBQGVJV-IBGZPJMESA-N 351.443 3.794 0 40 FHAB COc1ccccc1-c1nnc([C@H]2CCN(Cc3ccc(F)cc3)C2)o1 49170009 NBCVYZLHCYVCSX-HNNXBMFYSA-N 353.397 3.874 0 40 FHAB biogenic,in-vitro O=C(C[C@@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21)NC1CCC1 96053401 BDWPZOMSVHZGIJ-GOSISDBHSA-N 368.521 3.856 0 40 FHAB Cc1ccc(CNC(=O)c2ccc3nnc4nc(C)n(C(C)C)c4c3c2)o1 96146659 WCTFEEUHMTVRLT-UHFFFAOYSA-N 363.421 3.700 0 40 FHAB CC(C)(C)OC(=O)NCC1CCN(c2ccc(Br)cn2)CC1 91351670 FIQJVOWRKLGWAS-UHFFFAOYSA-N 370.291 3.585 0 40 FHAB COc1cccc(NC(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 242848513 FYFPDKMBAUVHEA-UHFFFAOYSA-N 372.852 3.840 0 40 FHAB O=C1C[C@H](c2cccs2)[C@H]2[C@@H](O)CCC[C@H]2N1Cc1ccccc1F 257250231 JLRHSSZMMUGFBX-DFYYWFRZSA-N 359.466 3.933 0 40 FHAB COC(=O)c1cc(/C=C(\Cl)c2nc(O)c3cccc(C)c3n2)cn1C 585079413 FHTVPRUAYHGIKC-QPEQYQDCSA-N 357.797 3.506 0 40 FHAB FC(F)(F)Oc1cccc(C2(c3nc(-c4cnccn4)no3)CCC2)c1 655963365 YPWCACVFBVURAB-UHFFFAOYSA-N 362.311 3.895 0 40 FHAB O=C(NCc1cnc(C(F)(F)F)nc1)N[C@H]1CCCC12CCCCC2 661439704 DVIZBVNQBRGCFI-ZDUSSCGKSA-N 356.392 3.798 0 40 FHAB O=C(CCc1ccccc1OC(F)(F)F)Nc1cnc2c(c1)COCC2 679046561 MZUMCZFFIMIEDI-UHFFFAOYSA-N 366.339 3.624 0 40 FHAB Cc1ncc(C(=O)N2CCC[C@@]23CN(c2ccc(F)cc2)C(C)(C)C3)cn1 1615120438 LBUSTVMAGWPHGZ-OAQYLSRUSA-N 368.456 3.588 0 40 FHAB C[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2 5870448 KWVMXXWSWLYZEK-SNVBAGLBSA-N 368.216 3.978 0 40 FHAB O=C(c1cccs1)n1nc(-c2cccnc2)nc1NCc1ccccc1 5002122 VUULRRFWBPLNHM-UHFFFAOYSA-N 361.430 3.702 0 40 FHAB O=C(c1ccc2c(c1)OCO2)N1CCC(c2onc3c2CCCCC3)CC1 12120599 XJLIXKQRQNCVOO-UHFFFAOYSA-N 368.433 3.692 0 40 FHAB CCC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)CCC3)c1C 12536293 ZREQLWURXBCISJ-UHFFFAOYSA-N 358.463 3.633 0 40 FHAB COCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1cc(C)ccc1C 13479871 IJXGJHUAPCZYRX-UHFFFAOYSA-N 364.445 3.633 0 40 FHAB CC1CCN([C@@H](CNC(=O)CCc2ccncc2)c2ccccc2)CC1 19496804 SVMNVCGIJVGCRP-NRFANRHFSA-N 351.494 3.604 0 40 FHAB COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)C1CCCC1 19570910 CFTOWRCGXKZYFU-SFHVURJKSA-N 353.466 3.624 0 40 FHAB CN1CCc2nc([C@H]3CCCCN3Cc3ccccc3Cl)ncc2C1 19590349 QYYRBQWKPSLHOL-LJQANCHMSA-N 356.901 3.845 0 40 FHAB COCc1ccc(-c2cc(O)n3ncc(C(=O)Nc4ccccc4)c3n2)cc1 19594462 IRFAPHWAXZGZJV-UHFFFAOYSA-N 374.400 3.501 0 40 FHAB CN(C)C1CCC2(CC1)CN(Cc1cscn1)Cc1ccccc1O2 643913158 HYWAMGUMXPJZDZ-UHFFFAOYSA-N 357.523 3.781 0 40 FHAB COc1cc(C(=O)Nc2ccccc2OC(F)F)cc(OC)c1OC 1256422 SWTHLXGCFHPBCI-UHFFFAOYSA-N 353.321 3.566 0 40 FHAB O=C(NCc1ccccc1F)c1nn(-c2ccc(F)cc2)c2c1CCCC2 11403156 ZRYPNVDHHPAABC-UHFFFAOYSA-N 367.399 3.959 0 40 FHAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccc(F)cc1 11595038 COYKUGVAPRCVIH-UHFFFAOYSA-N 371.437 3.505 0 40 FHAB Cc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)nc(C2CC2)n1 1888914719 GTUJTPWICXXPPR-OAHLLOKOSA-N 362.433 3.823 0 40 FHAB Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCc1ccccc1 4148122 KQLSHQSTKRFTMD-UHFFFAOYSA-N 368.487 3.532 0 40 FHAB Cc1ccc(C)c(NC(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 4374347 DRPSAPRFBBLUEG-OAHLLOKOSA-N 357.841 3.884 0 40 FHAB Cc1ccc2sc(NC(=O)c3ccc(S(C)(=O)=O)cc3)nc2c1C 5223295 AGMAVOCCPCYISP-UHFFFAOYSA-N 360.460 3.569 0 40 FHAB O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1F 10021248 YWSLZGDSXYSDGQ-UHFFFAOYSA-N 373.808 3.811 0 40 FHAB CCc1nnc(-c2cc3ccccc3n2CC(=O)NCc2ccc(C)cc2)o1 15881407 CRQPILRZNKYUOF-UHFFFAOYSA-N 374.444 3.879 0 40 FHAB COc1cccc(S(=O)(=O)N2CCS[C@@H](c3ccccc3)CC2)c1 208044121 VOZSSBNYDLJATE-GOSISDBHSA-N 363.504 3.564 0 40 FHAB O=S(=O)(NC[C@H]1CCCN1c1ccccc1)c1cccc2ccccc12 211121710 LLSWUBUQJUILNP-LJQANCHMSA-N 366.486 3.787 0 40 FHAB COc1ccc([C@H]2CCN(C(=O)Nc3ccc(OC)cc3OC)C2)cc1 38566822 OHRXAZKKYCVNOZ-HNNXBMFYSA-N 356.422 3.734 0 40 FHAB CCc1ncc(CN2CCCCC[C@H]3NC[C@@H](c4ccccc4)[C@@H]32)cn1 19523421 DRDNVVWEPYRUMD-VWPQPMDRSA-N 350.510 3.539 0 40 FHAB CC(C)C(=O)N1CCC(NC(=O)CSc2ccc(C(C)C)cc2)CC1 40120950 JGZVJRYFKBGARU-UHFFFAOYSA-N 362.539 3.665 0 40 FHAB Cc1ccc(CN(CCc2ccccc2)S(=O)(=O)N(C)C(C)C)s1 40105627 AZVMBHAAGBCCLB-UHFFFAOYSA-N 366.552 3.686 0 40 FHAB COc1ccc(-n2cnc3cc(C(=O)Nc4ccccc4)ccc3c2=O)cc1 32105805 JGCBBVPOPHAATE-UHFFFAOYSA-N 371.396 3.647 0 40 FHAB COc1ccc(Cl)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2 869830 UBNMRSYLEMXWFH-UHFFFAOYSA-N 373.762 3.691 0 40 FHAB O=C(Nc1ccccc1)c1cc(S(=O)(=O)NC2CCCCC2)cs1 991167 SRLSPDHRPIVEBK-UHFFFAOYSA-N 364.492 3.611 0 40 FHAB COc1ccccc1-n1cnnc1SCC(=O)c1ccc(C)cc1C 2627441 PGXJIWCGCMUBTI-UHFFFAOYSA-N 353.447 3.868 0 40 FHAB COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)N(C(C)C)C(C)C)n2)cc1 7866768 LAEHHXVFCYLMRC-CYBMUJFWSA-N 362.499 3.606 0 40 FHAB CCOc1ccccc1N1C[C@H](C(=O)Oc2cc(C)cc(C)c2)CC1=O 7929371 SWQIXBYHAAPQBZ-MRXNPFEDSA-N 353.418 3.661 0 40 FHAB CCn1c(NC(=O)Cc2ccc(Br)cc2)nc2ccccc21 10651564 DTBJEMBVLAHZPU-UHFFFAOYSA-N 358.239 4.000 0 40 FHAB CC(=O)N[C@@H](CC(=O)OCc1cc(-c2ccccc2)on1)c1cccs1 12176309 UZFFUZBVLGGDBJ-INIZCTEOSA-N 370.430 3.714 0 40 FHAB O=C(CCCn1cncn1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 54149249 QAIHIFFWCRHGPI-UHFFFAOYSA-N 367.478 3.699 0 40 FHAB O=C(CCNC(=O)c1ccc(F)cc1F)Nc1cccc2c1CCCC2 22880084 XXTMDPCKIUGJLU-UHFFFAOYSA-N 358.388 3.602 0 40 FHAB O=C(N[C@@H]1SC(c2ccccc2)=N[C@@]1(O)c1ccccc1)c1ccccc1 3124426 HIMKAGWZUKMDFI-FGZHOGPDSA-N 374.465 3.781 0 40 FHAB O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1cnns1 54709710 XDKIYMCRANVHNB-UHFFFAOYSA-N 356.354 3.933 0 40 FHAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc(F)cc1F 43467028 BANAUGIYQLSHIL-UHFFFAOYSA-N 360.408 3.669 0 40 FHAB COc1ccc([C@H](NC(=O)c2cccc(N3CCCC3=O)c2)C2CC2)cc1 25105533 RAUKAZSKMRGXCS-OAQYLSRUSA-N 364.445 3.703 0 40 FHAB O=C(CSc1ccc2c(c1)OCCO2)Nc1ncc(Cl)cc1Cl 3279046 WWGJJKFIFDPDRE-UHFFFAOYSA-N 371.245 3.890 0 40 FHAB O=C(CNC(c1ccccc1)c1ccccc1)N1CCc2ccccc2C1 57364139 MXPZJSVEERAKPK-UHFFFAOYSA-N 356.469 3.951 0 40 FHAB CC(C)Cc1nc2sc3c(NCCO)ncnc3c2c2c1CCCC2 1830233 RWLJMZOCPMCPFZ-UHFFFAOYSA-N 356.495 3.721 0 40 FHAB Cc1nc(COc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)no1 9884888 YZUGUCHQWSNIBC-LJQANCHMSA-N 363.417 3.764 0 40 FHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(-n2ccnc2)cc1 20460511 DSHAOXHVQWKPJG-IBGZPJMESA-N 369.852 4.000 0 40 FHAB O=C1N[C@@H](c2ccsc2)Nc2c1cnn2-c1cccc(C(F)(F)F)c1 58026740 RLXAAUZTDCBGKQ-ZDUSSCGKSA-N 364.352 3.807 0 40 FHAB Cc1ccc(CCC(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 113733559 WMLNQXOOKOZBJC-UHFFFAOYSA-N 355.825 3.947 0 40 FHAB CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccnc1 27576580 GLOVOTDBHZOUAZ-SFHVURJKSA-N 353.466 3.772 0 40 FHAB CC[C@@H](C(=O)Nc1cccc(C)c1C)n1ncc(-c2ccccc2)nc1=O 44804016 TWPKMEQKCLAUCO-IBGZPJMESA-N 362.433 3.512 0 40 FHAB CCN(CC(=O)Nc1cccc(OC)c1)c1ncnc2sc(C)c(C)c12 3302315 UXKZDJYXZHUTJS-UHFFFAOYSA-N 370.478 3.782 0 40 FHAB O=c1/c(=C/c2ccccc2Cl)sc2nc(-c3cccc(Cl)c3)nn12 2264883 DANLHOFFYAIRRH-ZROIWOOFSA-N 374.252 3.673 0 40 FHAB Cc1c(Cl)cccc1Nc1nnc(SCCN2CCOC2=O)s1 28189980 HGIGRUMRVJKEOM-UHFFFAOYSA-N 370.887 3.788 0 40 FHAB C/C=C/c1ccc(OCC(=O)NC[C@H](c2ccccc2)N(C)C)c(OC)c1 12777738 VXSLJWOGVBIMHH-NTPDMAOXSA-N 368.477 3.526 0 40 FHAB C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1-n1ccnc1 20493481 YJXQYJPZFAMSTL-AWEZNQCLSA-N 355.825 3.609 0 40 FHAB CN1N=C(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CCC1=O 11513725 VPCMHMZWAQREQX-UHFFFAOYSA-N 357.797 3.679 0 40 FHAB O=C(CCN1C(=O)CSc2ccccc21)Nc1ccc(F)c(F)c1F 12854870 XPFWCGDJVUZRPK-UHFFFAOYSA-N 366.364 3.571 0 40 FHAB CC(C)(C)c1ccc(-c2nnc(SCC(N)=O)n2C2CCCC2)cc1 3577842 LYPNVUYLWRZJPK-UHFFFAOYSA-N 358.511 3.935 0 40 FHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(Cl)cc1F 12976727 OTZVRKISQNDMNW-LBPRGKRZSA-N 358.804 3.893 0 40 FHAB COc1cccc(CNC(=O)CSCCOc2cccc(Cl)c2)c1 13012461 ATNQIZCUVAEDHV-UHFFFAOYSA-N 365.882 3.777 0 40 FHAB Cc1ccccc1SCC(=O)N(C)CC(=O)Nc1ccccc1Cl 8285284 FJUQLQIYVQPOCX-UHFFFAOYSA-N 362.882 3.838 0 40 FHAB CCCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(C(=O)OC)cc1 49549075 QMFJQWRWWLRWLN-UHFFFAOYSA-N 369.446 3.925 0 40 FHAB O=C(CCC(=O)N1CC[C@H]2CCCC[C@@H]2C1)c1ccc2c(c1)OCCCO2 8394201 HHYOXVIHDLWLHL-SJLPKXTDSA-N 371.477 3.850 0 40 FHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1ccc2c(c1)CCC2 8349759 ZKEMGGOJXXZXFZ-INIZCTEOSA-N 360.461 3.518 0 40 FHAB COc1ccc(CC(=O)N[C@H](CCSC)c2nc3ccccc3[nH]2)cc1 6008910 PVKPYPKMWLUVKE-GOSISDBHSA-N 369.490 3.725 0 40 FHAB CCOc1ccc(Oc2ccc(NC(=O)CSc3ncn[nH]3)cc2)cc1 8478605 AJBHGNUXWMVYJR-UHFFFAOYSA-N 370.434 3.727 0 40 FHAB Cc1cccc(NC(=O)CN(C)C(=O)c2ccc3ncsc3c2)c1C 8413816 WSJFJAHBOWOZOV-UHFFFAOYSA-N 353.447 3.624 0 40 FHAB COc1cc2c(c(OC)c1OC)[C@@H](c1ccccc1OC(C)C)CC(=O)N2 4487305 SZRRGAZDOYRHQJ-CQSZACIVSA-N 371.433 3.974 0 40 FHAB COc1ccc(-c2noc(CCC(=O)N[C@@H](C)c3cccs3)n2)cc1 14043468 FMZXGVHJLLIDCS-LBPRGKRZSA-N 357.435 3.617 0 40 FHAB COc1ccc(Cl)cc1NC(=O)c1cn(C)c2ccc(F)cc2c1=O 22236350 UPNLYOYFNMYJRG-UHFFFAOYSA-N 360.772 3.592 0 40 FHAB Nn1c(SCCCC(=O)c2ccc(F)cc2)nnc1-c1cccs1 4537164 DTWMXHNEUYABBT-UHFFFAOYSA-N 362.455 3.615 0 40 FHAB COc1ccccc1OCCOCCN1CCCC[C@H]1c1cccnc1 8744556 ALULIKCKUALVGQ-IBGZPJMESA-N 356.466 3.713 0 40 FHAB biogenic C[S@@](=O)c1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 14422897 MBQNFKIBZXAGPH-VWLOTQADSA-N 357.431 3.718 0 40 FHAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1n[nH]c(=O)n1C1CC1 8503894 JZCJXTYKDYTPRF-VXGBXAGGSA-N 360.483 3.539 0 40 FHAB CC(C)NC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)CCCCC2 8540897 KQBKZOJPPSNRFT-AWEZNQCLSA-N 354.450 3.574 0 40 FHAB CCN(CC)c1ccc(NC(=S)NC(=O)Cc2ccccc2)c(C)c1 4736819 ZQXIQYQXSAJVRT-UHFFFAOYSA-N 355.507 3.897 0 40 FHAB Cc1ccc(C(=O)n2nc(-c3cccnc3)nc2NCc2ccccc2)cc1 4777310 KMEMQIKYVGLIMI-UHFFFAOYSA-N 369.428 3.949 0 40 FHAB CN(C(=O)COC(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1 5861383 HRJPIRPVTXQETK-UHFFFAOYSA-N 352.217 3.742 0 40 FHAB COc1cc(C)c(N[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1OC 7370321 XOZIMDXXHXLDSN-CYBMUJFWSA-N 358.438 3.843 0 40 FHAB CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccc2c(c1)CCCC2 9193321 VEBVSXOYBMDUAY-UHFFFAOYSA-N 370.522 3.558 0 40 FHAB CCCc1cc(C(=O)N(CC)Cc2nc3ccccc3c(=O)[nH]2)sc1C 7810971 MPMSAEUYJGAWGW-UHFFFAOYSA-N 369.490 3.908 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CCC2CCCC2)CC1 9500734 NZGHEBMFZNETSX-UHFFFAOYSA-N 372.465 3.563 0 40 FHAB O=C(c1cccc2ccccc12)N1CCC[C@@H](C(=O)N2CCCCC2)C1 9503092 OKUYLBVOMRFRNZ-GOSISDBHSA-N 350.462 3.705 0 40 FHAB COc1ccc(OCC(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1 9690015 FCOQXZMBQGLARV-UHFFFAOYSA-N 368.458 3.822 0 40 FHAB CN(C)C1(CNC(=O)C[C@H]2CCN(Cc3ccccc3)C2)CCCCCC1 72307009 BNWBEIGFBXUYLC-OAQYLSRUSA-N 371.569 3.669 0 40 FHAB O=C(OCCCc1nc2ccccc2s1)[C@@H]1CC(=O)N(C2CCCC2)C1 84603394 DEFXJCMEUKXGQN-CQSZACIVSA-N 372.490 3.563 0 40 FHAB C[C@H](c1cccc(F)c1)N1CCN([C@H](C)c2nc(C(C)(C)C)no2)CC1 89905218 ALLZXAGNALPOLH-HUUCEWRRSA-N 360.477 3.946 0 40 FHAB COc1ccc(OCCCC(=O)N[C@H](C)COc2ccccc2C)cc1 65720965 PZHMYNCBHKHKBR-QGZVFWFLSA-N 357.450 3.746 0 40 FHAB CCN(c1ccc(C(=O)Nc2ccc(C)cc2C)cc1)S(=O)(=O)CC 113963911 ARFBLDJIAYUPEA-UHFFFAOYSA-N 360.479 3.732 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)Cc1ccccc1Cl 28612265 OPYQHNMKGKJJMU-OAHLLOKOSA-N 359.853 3.563 0 40 FHAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1ccnc(Cl)c1 12408086 GKKOOXHMVQEKPP-UHFFFAOYSA-N 372.808 3.730 0 40 FHAB biogenic CC(C)CNC(=O)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 38501092 FRIYWFUKPXCOIB-UHFFFAOYSA-N 367.424 3.976 0 40 FHAB Cc1noc(C)c1-c1nc(N[C@H](C)c2cccnc2)ncc1-c1cnccn1 72337516 ZBUYPFDDFCPDKI-GFCCVEGCSA-N 373.420 3.774 0 40 FHAB O=C(COc1ccccc1)Nc1nn(Cc2ccccc2F)cc1Cl 32647520 PAEYZDVBGCMSGW-UHFFFAOYSA-N 359.788 3.741 0 40 FHAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2c(C)cccc2C(C)C)cc1 78551664 XCTIEFQTIRMCBY-UHFFFAOYSA-N 374.506 3.598 0 40 FHAB Cc1cccc2sc(N3CC(OC(=O)c4cc(C5CC5)on4)C3)nc12 75172346 GYOSBDLQHOOMCM-UHFFFAOYSA-N 355.419 3.516 0 40 FHAB COc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4cc[nH]n4)C3)n2)c1 72349782 HWTOQBHSFLIBNS-INIZCTEOSA-N 362.433 3.500 0 40 FHAB COc1ccc(SCC(=O)N[C@H](C)CCc2ccccc2)cc1OC 38772051 OTWVHVMVIYOHGE-OAHLLOKOSA-N 359.491 3.933 0 40 FHAB CCCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC1CCCCC1 217515097 VGWIWFARMWPSEV-UHFFFAOYSA-N 368.499 3.598 0 40 FHAB Cc1cc(C)cc(-c2nc3cc(N4C[C@@H](C(=O)O)CC4=O)ccc3o2)c1 70461269 NCTHQBPMHMTRDO-AWEZNQCLSA-N 350.374 3.549 0 40 FHAB CN(c1cccc(Br)n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 72203512 SNCNRIPXBZBOJC-GFCCVEGCSA-N 370.291 3.680 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cc3cccc(Cl)c3oc2=O)cc1 226040122 GNTBXMLYVKREOW-UHFFFAOYSA-N 356.765 3.657 0 40 FHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 225012062 DTVDDVQOXHWIEL-RBUKOAKNSA-N 366.505 3.870 0 40 FHAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)N1CCc2ccccc21 43229669 QGFBGAIWBQQMMA-UHFFFAOYSA-N 358.825 3.774 0 40 FHAB C[C@H](SCc1ccccc1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 43848600 HYRNKKYBUQVFIP-CABCVRRESA-N 357.475 3.957 0 40 FHAB COCCCNC(=O)c1ccccc1NC(=S)Nc1ccc(C)cc1 225454870 XLBJYBWZGNJZLJ-UHFFFAOYSA-N 357.479 3.570 0 40 FHAB COc1ccc2c(ccn2CC(=O)Nc2nc(-c3ccccn3)cs2)c1 47064675 YXMVBBPPKHBZLS-UHFFFAOYSA-N 364.430 3.807 0 40 FHAB CCCCC[C@](C)(O)/C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 195762049 XSGQFHNPNWBVPT-GJHMOPICSA-N 366.498 3.641 0 40 FHAB Cc1cccc(-c2nc(CC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cs2)c1 95476242 JAXPNMAEBZEIIY-LAUBAEHRSA-N 370.518 3.815 0 40 FHAB O=C(CC1CCC2(CC1)CCN(Cc1ccccn1)CC2)N1CCCC1 96159368 AOSIVQYFDMNDFW-UHFFFAOYSA-N 355.526 3.867 0 40 FHAB COc1ccc([C@@H](NC(=O)N2CCO[C@@H](C(C)(C)C)C2)C(F)(F)F)cc1 334101748 GIZLHPPVPLNJAV-HUUCEWRRSA-N 374.403 3.755 0 40 FHAB Cc1c([C@H]2SCC(O)=Nc3ncn(-c4cccc(Cl)c4)c32)cnn1C 95480891 HIMBCVBJOQLGBW-MRXNPFEDSA-N 373.869 3.992 0 40 FHAB Cc1csc(Nc2nccnc2C2CCN(Cc3cscn3)CC2)n1 257343967 ZVDMBWDQTXPQPE-UHFFFAOYSA-N 372.523 3.821 0 40 FHAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@@H](C1CC1)[C@H]1CCCCO1 654412041 YNLHXLJSMKFDSG-ZCNNSNEGSA-N 358.482 3.720 0 40 FHAB Cc1cccc(Oc2ncccc2NC(=O)N2C[C@@H](O)C(C)(C)C2)c1C 572105149 QCXIMEDPWPWYFL-QGZVFWFLSA-N 355.438 3.725 0 40 FHAB Cc1cccc(Cc2sc(N3C(=O)N[C@](C)(CCF)C3=O)nc2C)c1 656572651 DJAXFILUBBUCKC-GOSISDBHSA-N 361.442 3.525 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC(COc3ccccc3)CC2)c1C 55423531 AIDQNUFDYMZAJW-UHFFFAOYSA-N 354.450 3.765 0 40 FHAB CCOc1ccccc1OC1CCN(C(=O)CCc2c(C)noc2C)CC1 55623266 ILMTVJKHVZIARD-UHFFFAOYSA-N 372.465 3.693 0 40 FHAB c1cc2c(c(C3CCCCC3)c1)OCCOCCOCCOCCO2 5568386 DWLGDJDFNATMPB-UHFFFAOYSA-N 350.455 3.555 0 40 FHAB CC(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 5638330 MASHZHYIESICQE-UHFFFAOYSA-N 372.490 3.847 0 40 FHAB C[C@@H](NC(=O)COc1cccc2ccccc12)c1ccc2c(c1)OCCO2 14217162 BRCCXUVHKKCODS-OAHLLOKOSA-N 363.413 3.867 0 40 FHAB CCCCCC(=O)Nc1ccc(N2CCN(C(C)=O)CC2)c(Cl)c1 14258608 NMIAUIGKPOVOFS-UHFFFAOYSA-N 351.878 3.527 0 40 FHAB Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(CC(=O)OCC(C)C)C1=O 8275974 NTPCAYDMUADWHD-LZYBPNLTSA-N 372.446 3.712 0 40 FHAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)CC3)cc1 157930739 DOWMWMTVYNMEFD-UHFFFAOYSA-N 358.463 3.670 0 40 FHAB C[C@H]1Cc2cc(C(=O)O)sc2C2(CCN(C(=O)OC(C)(C)C)CC2)O1 669370615 QUHPPEUFDMGMPM-NSHDSACASA-N 367.467 3.634 0 40 FHAB Cn1c(=O)cc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c2ccccc21 19714377 GNJYAGXMMJKWIJ-QGZVFWFLSA-N 362.429 3.571 0 40 FHAB O=C(NC[C@@](O)(c1ccoc1)c1cccs1)c1ccc2ncsc2c1 238929683 UYTBNZULIFECKV-GOSISDBHSA-N 370.455 3.617 0 40 FHAB O=C(c1ccccc1Cl)N1CCC[C@@](O)(COc2ccccc2)CC1 2037909314 RGAHIOLKDLACIL-FQEVSTJZSA-N 359.853 3.776 0 40 FHAB CCOc1ccccc1C(=O)N(CN1CCCC1=O)c1ccc(C)cc1 4137936 MIESRYHAYDDJKC-UHFFFAOYSA-N 352.434 3.620 0 40 FHAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)C(C)C)ccc1O2 8961491 RBXYHXHRSXAXBX-UHFFFAOYSA-N 360.435 3.527 0 40 FHAB O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccccc1F 9627692 GWUYOGVFXXEHLB-UHFFFAOYSA-N 355.394 3.716 0 40 FHAB Cc1cc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)no1 43939697 WAEBREJBBKGVGP-UHFFFAOYSA-N 360.826 3.821 0 40 FHAB CCCCc1nnc(NC(=O)[C@@H]2CCCN2c2nc3ccccc3o2)s1 618255142 MDOUMQLMTUCZJZ-ZDUSSCGKSA-N 371.466 3.629 0 40 FHAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 7708248 GIKCUINIECOPPQ-UHFFFAOYSA-N 359.325 3.513 0 40 FHAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(Cl)cc(Cl)c1 40040515 QLXQXERPPPEXLK-LKTVYLICSA-N 356.249 3.940 0 40 FHAB Cc1ccc(C(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)cc1F 31611494 XCGGKUONHQPUAC-AWEZNQCLSA-N 366.396 3.783 0 40 FHAB O=C(O)c1ccc(C(=O)O)c(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 1698877 BGOJJHGVMOOKAU-UHFFFAOYSA-N 373.364 3.907 0 40 FHAB in-vitro CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1ccc2nc(C)c(C)nc2c1 32741746 OFUGTYPTCFFMIX-NVXWUHKLSA-N 369.465 3.583 0 40 FHAB Cc1ccc(CSCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 2954352 UFUYWKNUXJHBQY-UHFFFAOYSA-N 358.482 3.716 0 40 FHAB O=C(COc1ccccc1)Nc1ccccc1C(=O)NCCc1ccccc1 6342267 PYPOIYBDUPXJDG-UHFFFAOYSA-N 374.440 3.677 0 40 FHAB CCOC(=O)c1cc(OC(=O)c2ccccc2C)n(-c2ccccc2)n1 6721337 HUNKSJPVOXADCQ-UHFFFAOYSA-N 350.374 3.577 0 40 FHAB O=C(NCc1cccnc1)C(=O)c1c(-c2ccccc2)cc2ccccn12 7365786 ASGHGUGFZPRJGH-UHFFFAOYSA-N 355.397 3.500 0 40 FHAB Cc1nc(-c2ncccn2)sc1C(=O)N[C@H]1CCCC[C@H]1C(F)(F)F 84064811 GNWFBYVXCRVMLY-MNOVXSKESA-N 370.400 3.759 0 40 FHAB C[C@@H](Nc1cccc2c1CCCC2)C(=O)N1CCN(c2ccccc2)CC1 52773988 JVSIUNIFGUPXEE-GOSISDBHSA-N 363.505 3.715 0 40 FHAB O=Cc1cc(Br)cc(Br)c1OCc1cccnc1 8702320 KADKPSFOJVNJIX-UHFFFAOYSA-N 371.028 3.998 0 40 FHAB COc1cc(/C=C2/N=C(c3ccccc3Cl)OC2=O)ccc1OC(C)=O 682725 UFVVMJSXLYHLGB-OQLLNIDSSA-N 371.776 3.618 0 40 FHAB COc1cc2c(cc1OC)[C@H](c1ccc(Br)cc1)CC(=O)N2 816189 PXAQDHMMTFGHBZ-LBPRGKRZSA-N 362.223 3.940 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)c2nc(SC)ncc2Cl)cc1 23007493 RSDNJMKNFCXXPI-CQSZACIVSA-N 363.870 3.838 0 40 FHAB CN(C)[C@@H](CNC(=O)CCC(=O)c1ccc(Cl)cc1)c1cccs1 23409008 VHUJGCUBSMZZQB-HNNXBMFYSA-N 364.898 3.784 0 40 FHAB COc1ccc(CC(=O)Nc2nc(C)c(-c3ccccn3)s2)cc1F 23518710 UXCUDFHZGHDNFJ-UHFFFAOYSA-N 357.410 3.842 0 40 FHAB CCN(Cc1cccc(F)c1)C(=O)c1nn(-c2ccccc2)cc1OC 24104577 NRMZHZDKRDQOEY-UHFFFAOYSA-N 353.397 3.682 0 40 FHAB COc1ccc(NC(=O)[C@@H](C)SCc2c(C)noc2C)cc1OC 24520389 QYLOUJNGBQWZLL-GFCCVEGCSA-N 350.440 3.569 0 40 FHAB O=S(=O)(Nc1cccc(Oc2cnccn2)c1)c1ccc(Cl)cc1 24576075 OEWQSWIUNRLWQY-UHFFFAOYSA-N 361.810 3.723 0 40 FHAB COc1ccc(-c2n[nH]cc2CN[C@H](C)c2ccc3c(c2)OCCO3)cc1 12530425 NNYNJEMJSURMOM-CQSZACIVSA-N 365.433 3.707 0 40 FHAB Cc1cc(C(=O)Nc2nnc(C3CCCCC3)s2)c2c(C)nn(C)c2n1 25062964 XLJBNZRAJQIVAC-UHFFFAOYSA-N 370.482 3.737 0 40 FHAB CCS(=O)(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 29915792 WLLCWMAGNYXJME-LBPRGKRZSA-N 366.870 3.593 0 40 FHAB COc1ccc(-c2csc(NC(=O)NCc3cccc(O)c3)n2)cc1 56548265 ZBFAXILEHJZHHI-UHFFFAOYSA-N 355.419 3.846 0 40 FHAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(-n2ccnc2)cc1 20046160 AFSVMPJPNZPVIU-FQEVSTJZSA-N 363.461 3.963 0 40 FHAB Cc1ccc2nc(C)c(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2c1 12641924 UEOIOEIIOMGQHJ-UHFFFAOYSA-N 361.445 3.941 0 40 FHAB CC1=C(NC(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(C)cc2)NC(=O)N1 26780240 QOVYIKMQEVOKSS-QGZVFWFLSA-N 355.825 3.664 0 40 FHAB Cc1cc(C(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)c(C)o1 27933335 QQTCEZSCTSEJMV-UHFFFAOYSA-N 355.360 3.809 0 40 FHAB CC(=O)N[C@H](CC(=O)N[C@H](C)c1ccc(Cl)cc1)c1cccs1 10087316 HZKJRGYMTQGWGN-IAQYHMDHSA-N 350.871 3.846 0 40 FHAB CCOc1ccc([C@H]2CCCN2CC(=O)NCc2ccc(C)c(F)c2)cc1 10131422 HVSNLCTWVJTWSK-OAQYLSRUSA-N 370.468 3.986 0 40 FHAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCC[C@@H](C)C1 12799276 JJPRCWBTXZPUCF-GFCCVEGCSA-N 367.371 3.772 0 40 FHAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)c1ccco1 22907905 WQGUUISUYXWPOT-QGZVFWFLSA-N 352.459 3.871 0 40 FHAB COc1cc(OC)c(NC(=O)COc2ccc(F)c(F)c2)cc1Cl 10904897 XKXIZANZWXCVIA-UHFFFAOYSA-N 357.740 3.653 0 40 FHAB Cc1cc(CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)no1 48354581 FDRCNRWBAMAPOG-ZDUSSCGKSA-N 362.480 3.774 0 40 FHAB COC[C@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 29507296 IDFHPCLSDGXCRX-ZDUSSCGKSA-N 354.381 3.912 0 40 FHAB Cc1ccc(SCCN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)cc1 8777481 MJLHATSKCGKCTF-LJQANCHMSA-N 372.515 3.932 0 40 FHAB C[C@H]1CCCCN1C(=O)COC(=O)C1c2ccccc2Oc2ccccc21 3453434 IXWAROKZCIPWHM-HNNXBMFYSA-N 365.429 3.868 0 40 FHAB Cc1ccc2nc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)sc2c1 3663570 VZWOTDODTSKWGC-UHFFFAOYSA-N 365.414 3.510 0 40 FHAB O=C(Cn1c(-c2cscn2)nc2ccccc21)NCc1ccc(F)cc1 8277558 BDDUEORGGKMLSV-UHFFFAOYSA-N 366.421 3.615 0 40 FHAB O=C1C[C@H](c2cccs2)Cc2nc3[nH]n(-c4ccccc4)c(=O)c3cc21 18198317 FFOZJADQQMYTJN-GFCCVEGCSA-N 361.426 3.688 0 40 FHAB COc1ccc([C@@]2(O)C[N+]3=C(CCCCC3)N2c2ccccc2C)cc1 16944972 LVEMEIDAPZDFPR-QFIPXVFZSA-N 351.470 3.654 0 40 FHAB CCCCNc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1 5017244 JHTGMBCGKYRBAZ-UHFFFAOYSA-N 356.451 3.643 0 40 FHAB CCOc1ccc(NC(=O)c2cc(C(C)=O)cn2C)c(C(F)(F)F)c1 64849415 URBNTJBOCZVFGB-UHFFFAOYSA-N 354.328 3.898 0 40 FHAB O=C1COc2ccc(Br)cc2CN1c1cc(F)cc(F)c1 65184327 GEEKFPFMTDOVGN-UHFFFAOYSA-N 354.150 3.653 0 40 FHAB O=C1c2ccccc2N2C(=O)c3ccccc3[C@@H]2N1c1ccc2c(c1)OCO2 13987050 MRWFRHRFAUXITR-HXUWFJFHSA-N 370.364 3.735 0 40 FHAB CC(C)(C)c1ccc(/C=c2/sc3nc(-c4cccs4)nn3c2=O)cc1 6306064 QZRHFLGGLJZETC-RVDMUPIBSA-N 367.499 3.725 0 40 FHAB CCC[C@@H](NC(=O)Cn1cnc2sc(C)c(C)c2c1=O)c1ccccc1 5319566 LJQMORIWMSMEFN-MRXNPFEDSA-N 369.490 3.732 0 40 FHAB CCc1nnc(NC(=O)C2C[C@@H]3CC[C@H](C2)C32SCCS2)s1 14122464 QAXNRMNTWFSCBR-FGWVZKOKSA-N 355.554 3.652 0 40 FHAB COc1ccc(CNC(=O)Cc2ccc(Cl)c(Cl)c2)cc1OC 6582921 UVDZCKCODZMDJS-UHFFFAOYSA-N 354.233 3.870 0 40 FHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nc2ccccc2o1 6608097 FKROLWPWVLGAKY-GFCCVEGCSA-N 367.430 3.684 0 40 FHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1N1CCCC1=O 14671475 CJUBKUVRCMUJQC-CYBMUJFWSA-N 358.825 3.873 0 40 FHAB O=c1oc2ccccc2cc1-c1nn2c(-c3cccs3)nnc2s1 4785151 UXIFESBHECIOIT-UHFFFAOYSA-N 352.400 3.688 0 40 FHAB CCOc1ccccc1NC(=O)c1cc2c(=O)n3ccccc3nc2s1 4882644 XGNMPKFQZDUTQA-UHFFFAOYSA-N 365.414 3.560 0 40 FHAB C[C@H](Nc1nc(-c2ccccc2)c2cc(Br)ccc2n1)C(=O)O 4939306 JTQBBQUIVUVZPJ-JTQLQIEISA-N 372.222 3.944 0 40 FHAB COc1ccc(OCc2noc(CN3c4ccccc4C[C@H]3C)n2)cc1 8707429 GMAWHZGVGRPSEJ-CQSZACIVSA-N 351.406 3.608 0 40 FHAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 409019170 IJSUICOXSVCRFQ-OPYOOOJUSA-N 374.245 3.981 0 40 FHAB Cc1ccc([C@H](CNC(=O)COc2ccc(C)c(C)c2)N2CCCCC2)o1 15860196 QIHLVXKAORASOU-FQEVSTJZSA-N 370.493 3.927 0 40 FHAB CS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc3ccccc23)cc1 8705137 SFQMOKVHXIOQAA-NTEUORMPSA-N 351.427 3.895 0 40 FHAB COc1ccccc1CC(=O)Nc1ccc2[nH]c(-c3ccccn3)nc2c1 71281485 TYKLSDFATAZVOE-UHFFFAOYSA-N 358.401 3.815 0 40 FHAB O=C(N[C@H]1C[C@H]1c1cccc(Cl)c1Cl)c1cccc(-n2ccnc2)n1 96008225 JXMPOBPHEPDWRR-WFASDCNBSA-N 373.243 3.860 0 40 FHAB CCOC(=O)c1c(NC(=O)CN2CCCCC2)sc2c1[C@@H](C)CCC2 19796990 XTUUSADQGCCLSX-ZDUSSCGKSA-N 364.511 3.789 0 40 FHAB CC(C)c1nc2cc(NC(=O)[C@@H]3CCCN3Cc3ccccn3)ccc2o1 72294367 WJFYMQURXIGQDP-SFHVURJKSA-N 364.449 3.949 0 40 FHAB C[C@@H](Sc1nncn1-c1ccccc1)C(=O)N1CCCc2ccccc21 9368463 WANDFAMJBUTHTM-OAHLLOKOSA-N 364.474 3.727 0 40 FHAB C[C@@H]1CCc2sc3ncn4c(-c5ccc(O)cc5O)nnc4c3c2C1 9477167 PCMSODYXQLGHCG-SECBINFHSA-N 352.419 3.542 0 40 FHAB CCCN(C)C[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 72308817 ZTWSFFSBFYQQQV-LSDHHAIUSA-N 371.447 3.696 0 40 FHAB COc1cc(NC(=O)c2nc(C)sc2CC(C)C)cc(OC)c1OC 72405578 ODVCMHHYXQSEBP-UHFFFAOYSA-N 364.467 3.928 0 40 FHAB CCOc1ccc(Nc2nnc(SCc3cccs3)n(C)c2=O)cc1 28536855 SWHIGPPHABHUEC-UHFFFAOYSA-N 374.491 3.671 0 40 FHAB CC[C@H](CNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1ccccc1 23019579 UZXVPNAGPSETFS-AEFFLSMTSA-N 370.518 3.910 0 40 FHAB O=C(C1CC1)N1CCC[C@@H](c2nc3ccc(-c4cccs4)cn3n2)C1 306142280 WVKBJLWFOXYILQ-OAHLLOKOSA-N 352.463 3.574 0 40 FHAB Fc1ccc(CN2C[C@H]3c4nc(NCc5ccccc5)ncc4C[C@H]3C2)cc1 306133503 MNHVZYJNBPGKFF-PZJWPPBQSA-N 374.463 4.000 0 40 FHAB O=C1[C@H]([C@H](O)c2ccccc2Cl)C(C(F)(F)F)=NN1c1ccccc1 3849058 YILYRCMXIGMUIJ-ZIAGYGMSSA-N 368.742 3.955 0 40 FHAB biogenic CC[C@@H]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 1556809172 FSJBOOFECRUQQU-FGTMMUONSA-N 363.546 3.683 0 40 FHAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccccc2)c(-n2cnnc2)c1 32646827 FTYPWBGAHPEDPQ-HNNXBMFYSA-N 350.422 3.798 0 40 FHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)c1 38772848 KMSXHIJLYUFSCZ-FUHIMQAGSA-N 360.542 3.863 0 40 FHAB O=C(CC(c1ccccc1)c1ccccc1)NC[C@H](O)Cc1ccccc1 70639279 GGRDONZSWFPQNS-JOCHJYFZSA-N 359.469 3.928 0 40 FHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1nc(-c2ccc(C)cc2)no1 219598640 UYXLKPDIFQTPMV-GOSISDBHSA-N 365.433 3.827 0 40 FHAB CC[C@H](NC(=O)c1cccc(CN2CCOCC2)c1)c1ccc(C)cc1 44848568 COYONOSKJFBVPG-NRFANRHFSA-N 352.478 3.708 0 40 FHAB Cc1csc2nc(CN[C@H](C)C34CC5CC(CC(C5)C3)C4)cc(=O)n12 40161487 GWKLUHOBNIAGAF-XXWNAHEMSA-N 357.523 3.759 0 40 FHAB CC(C)(Oc1nn(-c2ccccc2)cc1Cl)C(=O)NCCc1ccco1 227160024 CAVBBBHHYBSZRD-UHFFFAOYSA-N 373.840 3.635 0 40 FHAB CC(C)c1ccc(OCC(=O)NCc2cccnc2-c2ccncc2)cc1 225748749 IAUGRLKZWWAPIY-UHFFFAOYSA-N 361.445 3.962 0 40 FHAB CCCOC1(C(=O)Nc2cnc(OCCOC)c(C)c2)CCC(C)CC1 225912553 IMYAMWNDRBHNCN-UHFFFAOYSA-N 364.486 3.729 0 40 FHAB COc1ccc(OC)c(NC(=O)CCc2nc(-c3ccccc3C)no2)c1 225816118 CVFVLEIJEBBQKA-UHFFFAOYSA-N 367.405 3.634 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC(C)C)cc2C)cc1 224203815 IYZIYAJZADDYKE-UHFFFAOYSA-N 374.506 3.514 0 40 FHAB Cc1ccc(C(=O)N2CC[C@]3(C[C@@H]3C(=O)NCc3cccs3)C2)cc1C 96227646 FGKQXIJHSWJHRA-NQIIRXRSSA-N 368.502 3.534 0 40 FHAB Cc1cc(C)cc(C(=O)N2CC3(C[C@H](OCc4ccncc4)CS3)C2)c1 247860892 GDRSMMPCHLGAKC-IBGZPJMESA-N 368.502 3.615 0 40 FHAB O=C(c1cccs1)N1CCO[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257203098 AORZKFYBOYJZIM-INIZCTEOSA-N 372.421 3.680 0 40 FHAB O=C(O)c1ccc(-c2nc(CN3CCC4(CCOCC4)C3)cs2)cc1 652438911 MROBCPLJPROBKA-UHFFFAOYSA-N 358.463 3.511 0 40 FHAB C[C@H](NC(=O)N[C@H](C)c1ccc2c(c1)OCO2)C1CCC(F)(F)CC1 654361852 ZJNOEQKXAUGQBY-NWDGAFQWSA-N 354.397 3.990 0 40 FHAB Cc1ccc(CN2C(=O)[C@H](CC(=O)O)Oc3ccccc32)c2ccccc12 63871724 XXDUKVHXHLTYKK-FQEVSTJZSA-N 361.397 3.917 0 40 FHAB Cc1ccc2cc(C(=O)N[C@@H](CO)c3cccc(C(F)(F)F)c3)[nH]c2c1 1171575510 WZRDGTBCMFQOJA-KRWDZBQOSA-N 362.351 3.959 0 40 FHAB Cn1nc(CNC(=O)C2c3ccccc3Oc3ccccc32)c2c1CCCC2 96099151 YXCPNLOOHSAAAS-UHFFFAOYSA-N 373.456 3.853 0 40 FHAB COc1ccccc1OCC(=O)NCCc1ccc(-c2ccoc2)s1 390831068 PKQXYTYDBMYGNR-UHFFFAOYSA-N 357.431 3.754 0 40 FHAB COCCC(=O)N1CCC[C@@H]1c1cc(-c2cccc(OC)c2)cc(C)n1 19690650 CDKZQTPSYPDNMA-HXUWFJFHSA-N 354.450 3.766 0 40 FHAB CC[C@@H](C(=O)Nc1cc(C)on1)N(C)Cc1cc(Br)cs1 52847922 OYYJFRIHASDRIG-LBPRGKRZSA-N 372.288 3.656 0 40 FHAB O=C(O)c1ccc(/N=C/c2ccccc2I)cc1 5770526 WDXSBBWUIYMYOC-CXUHLZMHSA-N 351.143 3.740 0 40 FHAB CCOc1cc(CN2CCC(c3n[nH]c4ncccc34)CC2)ccc1OC 12143427 VGCLJJJGJBGTCG-UHFFFAOYSA-N 366.465 3.745 0 40 FHAB CCOc1ccc(-c2cc(C(=O)N3CCn4cccc4[C@H]3CC)[nH]n2)cc1 12147500 BHKYMULHJRWOPT-LJQANCHMSA-N 364.449 3.884 0 40 FHAB COc1ccccc1C1(O)CCN(Cc2c[nH]nc2-c2ccccc2)CC1 12147622 MBWVZRNDYWWFTD-UHFFFAOYSA-N 363.461 3.569 0 40 FHAB COc1cc(C)c(CN2C[C@@H]3[C@@H](CC[C@@]3(O)c3ccc(C)cn3)C2)cc1C 12223255 JFFZBMUJFHIBLU-NOXFTYBFSA-N 366.505 3.745 0 40 FHAB COC(=O)c1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1Cl 8092176 ZGJJGPDFVMOUAT-VMPITWQZSA-N 360.753 3.687 0 40 FHAB C[C@H](NNC(=S)N1CC2CCC(CC2)C1)c1cc2ccccc2cn1 13213140 GMWYODAUHQQTQU-FHERZECASA-N 354.523 3.797 0 40 FHAB COC(=O)[C@H](Cc1ccc(Cl)cc1)c1cc(=O)oc2cc(OC)ccc12 13721364 ALJXBYOWTOPUMN-QGZVFWFLSA-N 372.804 3.954 0 40 FHAB C[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)OCO2 14483618 JVJBPIQHABRIJP-SNVBAGLBSA-N 353.296 3.805 0 40 FHAB O=C1NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N1 15012709 MHLKWYRNNPNYHV-CHHVJCJISA-N 363.200 3.753 0 40 FHAB Cn1ccnc1-c1nc(NC[C@H]2CCCOC2)ncc1-c1cccc(F)c1 19291625 NFOCXSAXMPBWFK-CQSZACIVSA-N 367.428 3.522 0 40 FHAB O=C(NCc1ccc(-c2ncncc2-c2ccncc2)cc1)c1cccnc1 19337946 VLNUFNGUIDUZJM-UHFFFAOYSA-N 367.412 3.531 0 40 FHAB NC(=O)c1[nH]c([C@@H]2CCCN(CCc3ccccc3)C2)nc1-c1ccccc1 19698970 UITZJFORXFMDGY-LJQANCHMSA-N 374.488 3.598 0 40 FHAB O=C(N[C@@H]1CCCN1C(=O)/C=C/c1ccccc1)OCc1ccccc1 1585886 YTKWGDJYGIPJIQ-KQDNUWKFSA-N 350.418 3.575 0 40 FHAB O=C(NCCC1(C(=O)O)CC1)OCC1c2ccccc2-c2ccccc21 253189089 XZELNMNHFYIWNS-UHFFFAOYSA-N 351.402 3.780 0 40 FHAB CN(CC1CCN(C(=O)C2CCC2)CC1)c1cc(C(F)(F)F)ccn1 1888842950 PUZGRSUSLQBLQX-UHFFFAOYSA-N 355.404 3.575 0 40 FHAB Cn1nccc1-c1ccc(CNC(=O)c2ccc(OC(F)(F)F)cc2)o1 1888903987 DNSOEBBPAXXEIU-UHFFFAOYSA-N 365.311 3.509 0 40 FHAB CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(OC)c4O)OCC[C@@]31C2 2037849802 MGBIQRXGFNIYPJ-WLGVSOJHSA-N 373.493 3.809 0 40 FHAB O=C(CSc1nnc(-c2ccc(Cl)s2)o1)Nc1nccs1 2720372 NOZHZURBZYTRJC-UHFFFAOYSA-N 358.857 3.639 0 40 FHAB CCOc1ccc([C@@]2(O)CN(c3cc(C)ccc3C)C3=[N+]2CCCC3)cc1 2966283 UPLNSNMCHRIXBD-QHCPKHFHSA-N 365.497 3.962 0 40 FHAB Cc1ccc(-c2csc(NC(=O)c3ccccc3S(C)(=O)=O)n2)cc1 5222923 CUKXJSVJEOLZEO-UHFFFAOYSA-N 372.471 3.774 0 40 FHAB O=C(NC[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccc(Cl)cc1 9039797 AWPGOCNWORDPLW-GFCCVEGCSA-N 361.804 3.654 0 40 FHAB COc1ccccc1C1(C(=O)NCc2nccnc2-c2cccs2)CC1 575619192 ATJKQKRYBQEKHO-UHFFFAOYSA-N 365.458 3.562 0 40 FHAB O=C(COc1ccccc1)Nc1cccc(-c2nnc3n2CCCCC3)c1 10421427 FLMKQLFPEDCDLS-UHFFFAOYSA-N 362.433 3.689 0 40 FHAB COC(=O)c1ccc(C)c(S(=O)(=O)Oc2cccc(C(F)(F)F)c2)c1 40061634 CXJXNIFUQXLIBE-UHFFFAOYSA-N 374.336 3.568 0 40 FHAB CCOc1ccccc1CNCC[C@](O)(c1ccc(C)o1)C(F)(F)F 40088622 SZITWVNRXRHMNN-KRWDZBQOSA-N 357.372 3.917 0 40 FHAB CC(=O)Nc1cccc([C@@H](C)NC(=O)CCOc2ccc(C)cc2C)c1 30270448 RSWVISRMGFHDOZ-MRXNPFEDSA-N 354.450 3.908 0 40 FHAB Cc1cccc(OC(C)(C)C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 20408349 STAZJHLROPEJKZ-UHFFFAOYSA-N 356.441 3.640 0 40 FHAB Cc1ccc(S(=O)(=O)c2ccc(CSc3nncs3)cc2)cc1 32325817 NLLPDURRPHHEDK-UHFFFAOYSA-N 362.501 3.972 0 40 FHAB CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2nccc3ccccc23)C1 60322186 XPLLOOSTTDLQCC-HNNXBMFYSA-N 369.465 3.612 0 40 FHAB CC[C@@H](C)NC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12 2625273 ZORGKTBTQMKHLL-LLVKDONJSA-N 359.426 3.791 0 40 FHAB CCC(=O)N(Cc1ccccc1)Cc1cc2cc(C)c(C)cc2n2nnnc12 1367443 KBYIKALHOZXMLC-UHFFFAOYSA-N 373.460 3.833 0 40 FHAB O=C(Cn1nc(C(F)(F)F)cc1C1CC1)NCc1cc2ccccc2[nH]1 2781574 OJHFCSGOGCAEBT-UHFFFAOYSA-N 362.355 3.577 0 40 FHAB O=C1OCC[C@H]1Sc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 2625506 FNHSCTUTAJYNDI-OAHLLOKOSA-N 371.849 3.995 0 40 FHAB Cc1cc2c(cc(C(=O)O[C@H](C(=O)NC3CCCC3)C(C)C)n2C)s1 4967144 CDOCZAKIGAPIFK-KRWDZBQOSA-N 362.495 3.788 0 40 FHAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Br)cc1 7262592 VIYJANUUYFEMNF-JTQLQIEISA-N 364.195 3.584 0 40 FHAB CC(=O)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 7928901 QREZPARVSBOLLQ-CYBMUJFWSA-N 357.793 3.501 0 40 FHAB CC(C)c1ccc(-c2ccc(=O)n(CCC(=O)NC3CCCCC3)n2)cc1 41255193 HEQJLWAEKJOOOD-UHFFFAOYSA-N 367.493 3.873 0 40 FHAB CCOc1cccc(CNn2cn[nH]c2=S)c1OCc1ccccc1 8325534 ZLXLFAWQUURWOQ-UHFFFAOYSA-N 356.451 3.662 0 40 FHAB O=C(COc1ccc2c(c1)CCC2)Nc1ccc(OCC(F)(F)F)nc1 60460085 JDPFIORJADSMDC-UHFFFAOYSA-N 366.339 3.529 0 40 FHAB CC(C)c1ccccc1NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 12194499 WTLZHBHOGBQYAB-UHFFFAOYSA-N 372.490 3.992 0 40 FHAB O=C(CNc1ccccc1N1CCCCC1)NCCc1ccc(F)cc1 21887898 DBWXEOFSCDWDLO-UHFFFAOYSA-N 355.457 3.587 0 40 FHAB CC[C@@H]1CN(Cc2nnc(-c3ccccc3OC)o2)c2ccccc2O1 75840582 LKEWOXUMWITZAL-CQSZACIVSA-N 351.406 3.923 0 40 FHAB C[C@H](NC(=O)c1ccc(Cl)cc1Cl)[C@H]1COc2ccccc2O1 892571 DGJSKZNSBZWPBA-MGPLVRAMSA-N 352.217 3.952 0 40 FHAB COc1ccccc1/C=C/C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1C 3095042 GPYJYIQJVXMUPE-BOLDSZDNSA-N 367.445 3.872 0 40 FHAB C[C@H]1CC[C@@H]2C(=O)N(c3cccc(OC(=O)c4cccs4)c3)C(=O)[C@@H]2C1 102089036 MKLNZEWINHIHFL-VBNZEHGJSA-N 369.442 3.893 0 40 FHAB Cc1cc(C)n2ncc(C(=O)Nc3ccc4c(c3)nc3n4CCCCC3)c2n1 24441669 PILVWRRJVPGGSJ-UHFFFAOYSA-N 374.448 3.675 0 40 FHAB CC[C@H](OC(=O)CCOc1ccc(C)cc1)C(=O)Nc1ccc(F)cc1 24963773 UKLYAJFHBCXURB-SFHVURJKSA-N 359.397 3.864 0 40 FHAB O=C(CSCc1ccccc1)Nc1ccc(C(=O)N2CCCC2)cc1 1428437 YMAZCJCRERFHOR-UHFFFAOYSA-N 354.475 3.795 0 40 FHAB CCOC(=O)c1ccc(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)nc1 43534078 BROPOKPXWPKYSO-HNNXBMFYSA-N 350.422 3.519 0 40 FHAB O=C(NC1CCC(O)CC1)c1cc(-c2ccccc2)nn1-c1ccccc1 8189323 WVRFBRVXUQXRCI-UHFFFAOYSA-N 361.445 3.573 0 40 FHAB Cc1ccc(C)c(-n2ccnc2SCN2C(=O)c3ccccc3C2=O)c1 10271459 JUESUVOXPXWBLY-UHFFFAOYSA-N 363.442 3.835 0 40 FHAB Cc1nn(C)c(Cl)c1/C=C/C(=O)NCCOc1ccc2ccccc2c1 10288711 PIFYOBPJYDEFGU-MDZDMXLPSA-N 369.852 3.744 0 40 FHAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 3329650 XPDSNHUAFDPEJN-UHFFFAOYSA-N 374.245 3.971 0 40 FHAB O=C(NCCc1ccccc1C(F)(F)F)c1cc(=O)[nH]c2ccccc12 58406530 PWFOXDCMJUDELG-UHFFFAOYSA-N 360.335 3.519 0 40 FHAB CC(=O)c1cccc(S(=O)(=O)Oc2ccc(C)c3c2C(=O)C[C@@H]3C)c1 10664087 WIWCILSPUBIBMD-LBPRGKRZSA-N 358.415 3.655 0 40 FHAB CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 45601698 NINMEJAWJCCUFW-GFCCVEGCSA-N 354.903 3.541 0 40 FHAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCCSCc1ccccc1 12756909 QBLGTLHQQWEZFS-GOSISDBHSA-N 368.502 3.627 0 40 FHAB Cc1ccc(OCC(=O)N2CCc3sccc3C2)c(Br)c1 12894061 RDHGGMZRLJKCPZ-UHFFFAOYSA-N 366.280 3.783 0 40 FHAB COc1cc(CC(=O)N[C@@H](C)c2cccc(Cl)c2)cc(OC)c1OC 13063598 FSHYUKYOLRNGFT-LBPRGKRZSA-N 363.841 3.786 0 40 FHAB O=C(OCc1nc2ccccc2c(=O)[nH]1)C1(c2ccc(F)cc2)CCCC1 8483171 QUORDPDRRZVKJS-UHFFFAOYSA-N 366.392 3.617 0 40 FHAB Cc1nc(S)sc1CC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C 65159256 FXJJPQZCXYKKEM-LLVKDONJSA-N 357.504 3.910 0 40 FHAB CCOc1cc2c(c3[nH]c(C(=O)Nc4ncccc4OC)cc13)O[C@@H](C)C2 65596021 YLXSCJZBIVNNJP-NSHDSACASA-N 367.405 3.546 0 40 FHAB COc1ccc(OC)c(NC(=O)[C@@H]2CC(/C=C/c3ccccc3)=NO2)c1 5347638 IVLBMWWDIRVSPZ-SGQUHAKNSA-N 352.390 3.501 0 40 FHAB COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)c1 4598982 RPOXNOJGEREKAU-MRXNPFEDSA-N 352.434 3.810 0 40 FHAB O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1ccccc1F 4551563 ZHAGXVPYSQIVPT-UHFFFAOYSA-N 357.454 3.943 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)C2=Cc3cc(Cl)ccc3OC2)c1 14239562 ZZVGNKKRCXRVCL-UHFFFAOYSA-N 357.793 3.850 0 40 FHAB Cc1c(NC(=O)c2ccc(CC(C)C)o2)c(=O)n(-c2ccccc2)n1C 4717189 JMHVSGIPTYXIHK-UHFFFAOYSA-N 353.422 3.528 0 40 FHAB O=C(CSc1nc(C2CC2)n[nH]1)Nc1ccc(SC(F)F)cc1 14805311 JJUXMAPAZGAFFW-UHFFFAOYSA-N 356.423 3.728 0 40 FHAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(c2nccs2)CC1 8761841 YGAUPRXEMVNQGB-UHFFFAOYSA-N 371.384 3.897 0 40 FHAB O=C(NCc1ccccc1CN1CCCC1)c1cc(-c2ccccc2)[nH]n1 7118874 RLPQHEMZVUEXMP-UHFFFAOYSA-N 360.461 3.603 0 40 FHAB CCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccc(OC)c1 9185470 GPABWHNPLGUHEM-UHFFFAOYSA-N 350.418 3.589 0 40 FHAB Nn1c(SCc2ccc(F)cc2)nnc1-c1ccc(OC(F)F)cc1 21129292 ZLUGAQXRRWJTHD-UHFFFAOYSA-N 366.368 3.692 0 40 FHAB COc1ccc(C)cc1N1C[C@H](C(=O)Nc2cccc(Cl)c2)CC1=O 9342134 USJCJRSYTLZCIK-CYBMUJFWSA-N 358.825 3.649 0 40 FHAB CN(C)C1(CNC(=O)c2ccc(NC(=O)c3ccco3)cc2)CCCCC1 9479698 XGYZTHJMLJSEMQ-UHFFFAOYSA-N 369.465 3.526 0 40 FHAB COc1ccc(CCC(=O)NCCSCc2ccc(C)cc2)cc1OC 22527079 DSMHSWLGAULNOE-UHFFFAOYSA-N 373.518 3.994 0 40 FHAB Cc1cc(Br)ccc1NC(=O)c1ccc(-n2cccn2)nc1 19910401 XUGFGQRWXWPOCF-UHFFFAOYSA-N 357.211 3.591 0 40 FHAB O=C(Nc1ccc2nncn2c1)c1cc(-c2ccco2)nc2ccccc12 95458293 ABISEQVDJRGPIV-UHFFFAOYSA-N 355.357 3.790 0 40 FHAB O=C(Nc1c[nH]nc1[C@@H]1CCCN(C(=O)CCC2CC2)C1)c1ccccc1 95998695 PNHKBYAMRCSURR-QGZVFWFLSA-N 366.465 3.558 0 40 FHAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1CN1CCCCC1 24182120 WIRLBZIJIHQFBM-QGZVFWFLSA-N 370.468 3.895 0 40 FHAB O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccccc1C(F)F 408544663 WLLGHQAHYRJUKI-UHFFFAOYSA-N 360.389 3.936 0 40 FHAB Cc1nccn1-c1ccc(NC(=O)c2cccc(Cn3cccn3)c2)cc1 28306446 YYPZUUYTMAGRTC-UHFFFAOYSA-N 357.417 3.678 0 40 FHAB CCc1nccn1C[C@H]1CCCN1C(=O)Cc1c(Cl)cccc1Cl 530935235 RHBAAYVHRGFPJN-CYBMUJFWSA-N 366.292 3.986 0 40 FHAB Cc1ccc(C(C)C)c(OCC(=O)N2CCN=Cc3cc(N)ccc32)c1 73642439 HELGWPLRZPJISC-UHFFFAOYSA-N 351.450 3.545 0 40 FHAB COc1cccc(-c2noc(CN(C)C(=O)Cc3ccc(C)c(C)c3)n2)c1 218812329 JSXLICPNCDUSTM-UHFFFAOYSA-N 365.433 3.563 0 40 FHAB O=C(c1nccs1)C1CCN(C(=O)c2csc3c2CCCC3)CC1 72334842 AHAABMWCQWSVDN-UHFFFAOYSA-N 360.504 3.819 0 40 FHAB COc1ccccc1CC(=O)NCc1ccc(CN2CCCC[C@H]2C)cc1 32930263 POPWQFVBTSIXJW-GOSISDBHSA-N 366.505 3.929 0 40 FHAB O=C(NCCSc1ccccc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38836533 LXFPJVKIBLWNJE-GOSISDBHSA-N 372.509 3.946 0 40 FHAB Cc1cc(C)cc(OCC(=O)NCc2cccc(CN3CCCC3)c2)c1 32462298 SMVVDAURLACYHL-UHFFFAOYSA-N 352.478 3.594 0 40 FHAB CC(C)(C)c1c[nH]c([C@@H]2COCCN2Cc2cnc3ccccc3c2)n1 72322157 SVQLUWOKEARDPX-SFHVURJKSA-N 350.466 3.829 0 40 FHAB biogenic,in-vitro O=C(Nc1ccc(N2CCC(O)CC2)cc1)[C@H]1C[C@H]1c1ccc(F)cc1 60628703 VZRXIVFBSGUKAR-PMACEKPBSA-N 354.425 3.529 0 40 FHAB CCCCOc1ccc(/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 40867888 QXGVKXYYWODBIH-IXDOJHRFSA-N 367.445 3.691 0 40 FHAB CC[C@H](NS(=O)(=O)c1cc(F)ccc1OC)c1ccc(OC)c(C)c1 222825815 VAVCSPIKPDAJQT-HNNXBMFYSA-N 367.442 3.581 0 40 FHAB CCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCCC2)n1 225882064 GJHYWHUWRWMXQI-UHFFFAOYSA-N 357.483 3.566 0 40 FHAB O=C(NCc1cccs1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225735405 KNLBZLSDEYIBNE-LBPRGKRZSA-N 371.384 3.525 0 40 FHAB Nc1ccc(N2CCOCC2)c(NC(=O)c2ccc(Cl)cc2Cl)c1 226252774 MDZZWAMEXIFRKR-UHFFFAOYSA-N 366.248 3.665 0 40 FHAB CCN(CCCNC(=S)Nc1ccc(OC)nc1)c1ccc(C)cc1 225735310 CIWYXZNNVBEBBI-UHFFFAOYSA-N 358.511 3.602 0 40 FHAB O=C(Cc1cccc(Cl)c1)N1CCN(C/C=C/c2ccccc2)CC1 225615326 DSRQIUIGTCSHCS-WEVVVXLNSA-N 354.881 3.740 0 40 FHAB O=C1NC(=O)/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)S1 83306138 CVSODHUZYVNQGS-NTEUORMPSA-N 359.790 3.883 0 40 FHAB COc1ccc(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1C 225398673 SWYIBKCZYZFSJH-UHFFFAOYSA-N 357.797 3.637 0 40 FHAB COC(=O)c1ccccc1NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 225285961 WYWRUFHYOSCHGP-UHFFFAOYSA-N 363.417 3.587 0 40 FHAB COc1ccc(CN2CCC3(CCN(Cc4nccs4)CC3)C2)cc1 96046619 KOUVLGDDWDVDAD-UHFFFAOYSA-N 357.523 3.640 0 40 FHAB Fc1ccc(CN(Cc2ccnn2[C@H]2CCCCO2)C[C@H]2CCCO2)cc1 247562694 ZHMOEUXCENPZSA-NHCUHLMSSA-N 373.472 3.903 0 40 FHAB Cc1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)cc1 243363406 MBRIGVRTOXZKMR-UHFFFAOYSA-N 370.880 3.817 0 40 FHAB O=C(O)c1ccccc1-c1ccc(CN2CC(c3n[nH]c4ncccc34)C2)o1 257204824 AWLJNASWVABKJM-UHFFFAOYSA-N 374.400 3.516 0 40 FHAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc3cc(Cl)ccc3c(Cl)c12 255189890 SVAYPYICYDDYIG-SNVBAGLBSA-N 370.261 3.559 0 40 FHAB O=C([C@@H](O)Cc1c(F)cccc1Cl)N1Cc2cccc(Cl)c2C1 585083231 DGYWZBIZLYCTBW-INIZCTEOSA-N 354.208 3.578 0 40 FHAB CCCn1nccc1-c1cncc(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)n1 257321988 WEEWFWACUKXWDQ-MRXNPFEDSA-N 369.513 3.577 0 40 FHAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@H](c3ccncn3)C2)o1 257276685 NUSJEWUCBCGLSZ-HNNXBMFYSA-N 363.417 3.814 0 40 FHAB C[C@@]1(NC(=O)c2ccc(N3CCCCCC3)cc2)CCCC[C@H]1C(=O)O 1604591355 AFOIROMIGROOOH-GHTZIAJQSA-N 358.482 3.830 0 40 FHAB Cn1cc(C(=O)CCC(=O)N[C@H]2CCC(C)(C)C[C@@H]2c2ccccc2)cn1 1636379909 BGFDDUSUOIRCOR-MOPGFXCFSA-N 367.493 3.862 0 40 FHAB Cc1nc([C@H]2CCOC2)sc1C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 633194543 MZHZNOWSHHUVRL-DZKIICNBSA-N 360.454 3.771 0 40 FHAB CCn1nccc1[C@@H]1OCCC[C@H]1CNc1ccnc2cc(F)cnc12 664204410 VNFQUMGAOMCJRQ-ORAYPTAESA-N 355.417 3.565 0 40 FHAB Cc1cc(-c2cccnc2)nn1CCNC(=O)CCSc1ccccc1 390826988 RTZOFEJXHQQOEV-UHFFFAOYSA-N 366.490 3.552 0 40 FHAB Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3CN(Cc4ccccc4)C[C@H]23)no1 585109847 ZYYIHKGVTFJUNV-JAXLGGSGSA-N 373.456 3.683 0 40 FHAB CCCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1CCC1)C2 585107209 RQTOTHZRMPFXGY-QFIPXVFZSA-N 364.493 3.720 0 40 FHAB Cc1ccc(C(=O)N2CC3(C[C@H](OCc4ccccn4)CS3)C2)cc1C 585104040 FSTNKZNJEGNXQI-IBGZPJMESA-N 368.502 3.615 0 40 FHAB COc1ccc(CN(CCO)c2ccc(Br)cc2)cc1F 89457588 PFQBNFPMJAYMJP-UHFFFAOYSA-N 354.219 3.596 0 40 FHAB O=C(Nc1ccc(F)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 5184655 VCGIYGPKUOSOOX-UHFFFAOYSA-N 370.405 3.879 0 40 FHAB COc1ccccc1NC(=O)CSc1nc(-c2cccc(C)c2)n[nH]1 5602856 AITDDQVBYIZUBU-UHFFFAOYSA-N 354.435 3.520 0 40 FHAB CC(C)c1ccc2[nH]c3nc(SCC(=O)N4CCCCC4)nnc3c2c1 5625165 PNRPONJXFAENHH-UHFFFAOYSA-N 369.494 3.734 0 40 FHAB COc1ccccc1CNc1ncc(-c2nccn2C)c(-c2ccco2)n1 12087741 CJJBZGJKASTEGX-UHFFFAOYSA-N 361.405 3.758 0 40 FHAB Cc1cccc(-c2noc(C)c2C(=O)NCc2nc(-c3ccccc3)no2)c1 12202651 KZTGBZAQMYSSPG-UHFFFAOYSA-N 374.400 3.938 0 40 FHAB Fc1ccc(-c2nc(NCCc3ccncc3)ncc2-c2ncc[nH]2)cc1 12221823 SRZSDIVJEBZFRA-UHFFFAOYSA-N 360.396 3.722 0 40 FHAB Cc1ccccc1NC(=O)COC(=O)/C=C/c1ccc(OC(F)F)cc1 12555561 PNYAPPCOZOBMJZ-DHZHZOJOSA-N 361.344 3.792 0 40 FHAB CC(=O)Nc1ccc(OCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 12999051 BKFFDVCVONLKHX-YMXMSLLWSA-N 370.493 3.745 0 40 FHAB COc1ccccc1NC(=O)c1cnc(Nc2nc(C)c(C)s2)nc1C 14607515 KAAWWIKHFZLNJQ-UHFFFAOYSA-N 369.450 3.863 0 40 FHAB CC1(C)Cc2nc(-c3cnccn3)ncc2[C@@H](NC(=O)CC2CCCC2)C1 12238890 PFKWBZGNSQHPPN-INIZCTEOSA-N 365.481 3.644 0 40 FHAB Cc1nc2c(C)cccc2cc1C(=O)NCc1noc(-c2ccccc2)n1 12203028 DWDFYYNGVMLIPN-UHFFFAOYSA-N 358.401 3.832 0 40 FHAB COc1ccc(N2c3cccc[n+]3C[C@]2(O)Cc2ccc(Cl)cc2)cc1 3197282 FWXCXYMAEJTHFO-OAQYLSRUSA-N 367.856 3.719 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nc(-c2cccs2)n[nH]1 6035418 GYNVQZSFBBAOHH-NWDGAFQWSA-N 370.503 3.992 0 40 FHAB C=CC(=O)Nc1ccc(C(=O)N2CCCc3c(F)c(F)cc(F)c32)cc1 1583679968 JCKGFOMGCBEVOS-UHFFFAOYSA-N 360.335 3.821 0 40 FHAB CCOC(=O)C1=C(c2ccccc2)O/C(=C(/C(=O)OC)C(F)(F)F)S1 1826448 SOIAWOQSOUAHMP-XNTDXEJSSA-N 374.336 3.629 0 40 FHAB COc1ccc(C(=O)Nc2nnc(-c3ccccc3C)s2)c(OC)c1 4072286 SWTICHHLCVPJMY-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB CCCC[C@H](Sc1ccc2nnc(-c3ccc(F)cc3)n2n1)C(=O)O 4164486 NGKDWZGDYCFYIW-ZDUSSCGKSA-N 360.414 3.666 0 40 FHAB O=C(Nc1ccccc1Cl)c1cccn(OCc2ccc(F)cc2)c1=O 4325883 CSOXGRHVVAJZGM-UHFFFAOYSA-N 372.783 3.522 0 40 FHAB Cc1ccccc1-c1noc(-c2nnn(-c3ccc(Cl)cc3)c2N)n1 6868213 MRWXQXNQDNXPHL-UHFFFAOYSA-N 352.785 3.528 0 40 FHAB CCOc1cccc2s/c(=N/C(=O)c3ccc(N(C)C)cc3)n(CC)c12 12378122 KPVBDBCBRFRSFE-QZQOTICOSA-N 369.490 3.929 0 40 FHAB Cc1cccc(-c2noc(CN3C(=O)COc4cc(Cl)ccc43)n2)c1 23126177 SNKBAPKOZXKRIT-UHFFFAOYSA-N 355.781 3.624 0 40 FHAB CC(C)c1cc(=O)n(CC(=O)N(Cc2ccccc2)c2ccccc2)cn1 36703840 NTBRONBWKYNOSK-UHFFFAOYSA-N 361.445 3.600 0 40 FHAB CC(C)NC(=O)c1cccnc1Oc1ccc(F)cc1Br 40142772 JWOCXBQYEBWPFT-UHFFFAOYSA-N 353.191 3.914 0 40 FHAB COc1ccc2cc(CNC(=O)NCC3(N(C)C)CCCCC3)ccc2c1 30988077 IQJITGWNIGCEMQ-UHFFFAOYSA-N 369.509 3.912 0 40 FHAB CC(=O)Nc1cccc(C2=C[C@H](c3ccc(Cl)cc3)n3ncnc3N2)c1 100834952 NDOQKELQBHGDRW-GOSISDBHSA-N 365.824 3.946 0 40 FHAB O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCc1ccccc1Cl 2651645 FKCGLZXIONCQMQ-UHFFFAOYSA-N 371.651 3.693 0 40 FHAB Cc1csc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)n1 2657504 JGYAYMMDRMGCDB-UHFFFAOYSA-N 363.398 3.504 0 40 FHAB C[C@@H]1CC[C@@H]2C(=O)N(c3ccccc3OC(=O)c3cccs3)C(=O)[C@@H]2C1 101967428 VROIQTUKVPMSDX-HZSPNIEDSA-N 369.442 3.893 0 40 FHAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1ccsc1 3342328 NYBCLXMUQLVXPB-UHFFFAOYSA-N 357.262 3.695 0 40 FHAB C[C@@H](OC(=O)c1ccc(OC(F)F)cc1)C(=O)NCCC1=CCCCC1 3382167 HPSCMAOFYPAHIW-CYBMUJFWSA-N 367.392 3.840 0 40 FHAB Cc1nc(CC(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cs1 21361507 MGHLLFUTAUVQQS-CQSZACIVSA-N 373.503 3.816 0 40 FHAB C[C@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N1CCC(n2cccc2)CC1 60448506 MYFYXOXZWFNEIS-WMLDXEAASA-N 369.440 3.699 0 40 FHAB COc1ccccc1NC(=O)NC1(C(=O)N2CCCCC2)CCCCC1 4981957 RPOKJKXADBVALN-UHFFFAOYSA-N 359.470 3.532 0 40 FHAB COc1ccc(NC(=S)NC(=O)c2cccs2)cc1Br 6275172 YYGXEPLXNOAVMX-UHFFFAOYSA-N 371.281 3.646 0 40 FHAB O=C(c1cccnc1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 6677852 REZTWBWNEKLPNR-UHFFFAOYSA-N 350.443 3.878 0 40 FHAB CC(C)(C)c1ccccc1OCC(=O)N1CCN(c2ccccc2F)CC1 7382144 UQGSITXULPSRNE-UHFFFAOYSA-N 370.468 3.851 0 40 FHAB CCN(CC)C(=O)c1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1 7408200 LQEYFMKKGDJIOL-UHFFFAOYSA-N 366.461 3.675 0 40 FHAB C[C@H](C(=O)Nc1ccc(F)cc1Cl)N(C)Cc1ccc2c(c1)OCO2 7640516 SLLYFVBHMXNYAQ-LLVKDONJSA-N 364.804 3.667 0 40 FHAB CCc1ccccc1NC(=O)CNC(=O)CCSc1ccc(C)cc1 32972049 RAUUMEKZAZJDKM-UHFFFAOYSA-N 356.491 3.795 0 40 FHAB Cc1cccc(N[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c1C 101076871 GFXXALHOONKQRI-MRXNPFEDSA-N 373.250 3.810 0 40 FHAB CCCNC(=O)C(=O)c1c(-c2ccc(OC)c(Cl)c2)cc2ccccn12 10119171 DXZFOPNLWJRQDH-UHFFFAOYSA-N 370.836 3.977 0 40 FHAB O=C(/C=C/c1ccc(N2CCCC2=O)cc1)Nc1cccc(-n2cccn2)c1 32925848 PXUATODCRWOXOB-FMIVXFBMSA-N 372.428 3.651 0 40 FHAB O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)Nc1ccc(F)cc1 52781587 QRWXOFNSQPPVFR-CQSZACIVSA-N 350.802 3.921 0 40 FHAB CCOC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(CC)cc2)c1 10693106 CWOVJBJBDRWTQX-UHFFFAOYSA-N 355.390 3.857 0 40 FHAB COc1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCO4)n2)cc1F 8982981 VDHXTCDTOQAHKA-UHFFFAOYSA-N 372.377 3.939 0 40 FHAB Cc1nnc([C@H]2Cc3ccccc3CN2Cc2cn3c(C)cccc3n2)o1 58428947 OIQJNMIIIOMCBS-LJQANCHMSA-N 359.433 3.634 0 40 FHAB COc1ccc2c(c1)N(Cc1nnc(-c3ccc(C)cc3)o1)C[C@@H](C)O2 75858346 HUJJVHUNXYBFBQ-CQSZACIVSA-N 351.406 3.841 0 40 FHAB COc1cccc(OC)c1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 806992 JKBDMJLRRDYFMP-UHFFFAOYSA-N 366.373 3.801 0 40 FHAB CCN(CC)C(=S)S[C@@H]1CCCCN(C(=O)c2ccccc2)C1=O 939171 SHEQJKSTPOKUMN-OAHLLOKOSA-N 364.536 3.568 0 40 FHAB O=C(O)c1ccccc1N(Cc1ccccc1)C(=O)COc1ccccc1 3170778 YUAWOGKUMHJEPY-UHFFFAOYSA-N 361.397 3.997 0 40 FHAB CNC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1[C@@H]1CCC[C@H](C)[C@@H]1C 104895453 ISZZNILOTVTRHA-AYMQEEERSA-N 373.522 3.620 0 40 FHAB COC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccc(C(C)(C)C)cc1 1100565 ARLFCGIZWHGZAL-MLGOLLRUSA-N 372.490 3.806 0 40 FHAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cnc2sccn2c1=O 20767519 WAGYLFRHVNAOLI-UHFFFAOYSA-N 373.743 3.681 0 40 FHAB Cc1nc(N(C)[C@@H](CN2CCCC2)c2ccccc2)c2nc(C)oc2n1 55152774 AAENOLMXBXAIDC-KRWDZBQOSA-N 351.454 3.508 0 40 FHAB CCN(CC)c1ccc(C(=O)OCC(=O)N(CC)C2CCCCC2)cc1 3257022 KQPAKUCPOKSSSV-UHFFFAOYSA-N 360.498 3.871 0 40 FHAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1C(F)(F)F 3279113 WQWXYACYVOHHBY-UHFFFAOYSA-N 350.340 3.794 0 40 FHAB CC(C)c1ccccc1O[C@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 20481288 HSHTXXKADRQABO-LJQANCHMSA-N 366.505 3.922 0 40 FHAB Cc1nccn1-c1ccccc1CNC(=O)[C@@H](C)Oc1ccccc1Cl 20457657 KMJFNHPDYMVRED-CQSZACIVSA-N 369.852 3.918 0 40 FHAB C[C@H](CCc1ccco1)NC(=O)N1CCN(c2ccccc2Cl)CC1 10081387 WIGOMSZHKRKRSK-OAHLLOKOSA-N 361.873 3.786 0 40 FHAB O=C(CCc1nc2ccccc2s1)NCCCOCc1ccccc1 10103071 ODMCVNKRXUQEDD-UHFFFAOYSA-N 354.475 3.952 0 40 FHAB COc1cc(NCC(=O)Nc2ccc(F)c(F)c2)c(OC)cc1Cl 3388533 AGWVIMJJXBQWIR-UHFFFAOYSA-N 356.756 3.686 0 40 FHAB COc1ccccc1N1CCN(CCCCOc2ccc(F)cc2)CC1 2275119 LBTYJJUTDNCITA-UHFFFAOYSA-N 358.457 3.816 0 40 FHAB CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3cccc(OC)c3)cc12 2275909 KMFCVTUTKJZVLV-UHFFFAOYSA-N 367.401 3.891 0 40 FHAB COc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1OC 64580972 DCTIVDSJZVBEME-UHFFFAOYSA-N 357.797 3.795 0 40 FHAB Cc1cc(OCc2ccc([C@@H]3N[C@@H](C(=O)O)CS3)o2)ccc1Cl 36624040 XJESZXOUKUJGHR-UKRRQHHQSA-N 353.827 3.609 0 40 FHAB CC(=O)Nc1cc(NC(=O)Cc2nc(-c3ccccc3)oc2C)ccc1F 12775570 ABELIIODEKZJMI-UHFFFAOYSA-N 367.380 3.929 0 40 FHAB O=C(CSCC(=O)N[C@H]1CCc2ccccc21)Nc1ccc(Cl)cc1 12764546 QIKKVGZSFVGHEU-KRWDZBQOSA-N 374.893 3.815 0 40 FHAB CC[C@@H]1CCCCN1CCCNC(=O)[C@@H](C)Sc1ccc(OC)cc1 20457058 SRPCWYIPCBTALJ-IAGOWNOFSA-N 364.555 3.947 0 40 FHAB CCOc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1 13016944 WTYPEXNTXRFSMT-CQSZACIVSA-N 358.463 3.638 0 40 FHAB COc1ccc(C(=O)[C@@H](C)n2cc(-c3ccc(F)cc3)[n+]3c2CCC3)cc1 16995498 AMTYUPTVHGATDY-OAHLLOKOSA-N 365.428 3.980 0 40 FHAB O=C(CCc1ccccc1Cl)N1CCC(C(=O)O)(c2ccccc2)CC1 13186159 UAGVELYRLYROLP-UHFFFAOYSA-N 371.864 3.918 0 40 FHAB Cc1nc(-c2cccc(NC(=O)[C@@H](C)OC[C@H]3CCCCO3)c2)oc1C 69357499 UQNWLMIOXAWPIP-CRAIPNDOSA-N 358.438 3.871 0 40 FHAB O=C(CCOc1ccccc1)NCCc1ccc(Br)s1 49121299 UUPVPMJROGEIND-UHFFFAOYSA-N 354.269 3.638 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)c2cccc(N3CCCC3=O)c2)c1 18087136 WEVRIZKAPCMFJP-UHFFFAOYSA-N 368.433 3.863 0 40 FHAB CCOc1ccc(-c2nnc(NC(=O)c3cccc(OC)c3)s2)cc1 17045587 ATGXKYBCLXZLKQ-UHFFFAOYSA-N 355.419 3.865 0 40 FHAB O=C(COc1ncnc2sc3c(c12)CCC3)Nc1ccccc1Cl 6086192 OKWHNMLEDDJDOH-UHFFFAOYSA-N 359.838 3.851 0 40 FHAB CCc1ccccc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 5141277 JJRDQKJOGZIFDW-UHFFFAOYSA-N 361.445 3.938 0 40 FHAB O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(N2CCOCC2)cc1 6248798 WKJFGPJFNYXCCA-UHFFFAOYSA-N 363.461 3.966 0 40 FHAB COc1cccc(CNC(=O)COc2ccc3ccc(OC)cc3c2)c1 5365597 SHXOMZCQSYDDGW-UHFFFAOYSA-N 351.402 3.552 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc(F)cc2C)cc1Br 6542726 BGFZAAHEJGJLAL-UHFFFAOYSA-N 374.231 3.706 0 40 FHAB Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 14494804 GHDWBJARKLVWQG-INIZCTEOSA-N 356.853 3.678 0 40 FHAB CCc1cc2c(SCCN3C(=O)c4ccccc4C3=O)ncnc2s1 6619443 PYXLCOGGAQVOSY-UHFFFAOYSA-N 369.471 3.642 0 40 FHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)Cn1cnc2ccccc21 5694537 LPUJNCMCZBDJCN-JTDSTZFVSA-N 372.465 3.584 0 40 FHAB COc1cccc(NC(=O)[C@H](C)Sc2nnc(-c3cccs3)o2)c1 6847624 GWZLZNGLMMFATC-JTQLQIEISA-N 361.448 3.926 0 40 FHAB O=C(COc1ccccc1N1C(=O)c2ccccc2C1=O)c1ccccc1 5870822 XWPJQZRVHZALAP-UHFFFAOYSA-N 357.365 3.749 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccs2)N1Cc1cccnc1 8846010 SVNKCPRSAHRYIZ-GOSISDBHSA-N 374.421 3.995 0 40 FHAB COc1ccc(OCCCC(=O)Nc2cccc(N3CCCC3=O)c2)cc1 6988535 OVTSOMHCSYJDRI-UHFFFAOYSA-N 368.433 3.620 0 40 FHAB O=C(c1n[nH]nc1Nc1ccccc1F)N1CC=C(c2ccccc2)CC1 67284398 OORQPPUMLMYCAG-UHFFFAOYSA-N 363.396 3.617 0 40 FHAB CCOc1ccc2nc(NS(=O)(=O)c3cccc(F)c3)sc2c1 7054993 LKCHIWBYAIVBRO-UHFFFAOYSA-N 352.412 3.635 0 40 FHAB O=C(COc1ccccc1Cl)N1CCCC[C@H]1CCN1CCCC1 15831520 FCBLKZNVVFFOGF-INIZCTEOSA-N 350.890 3.586 0 40 FHAB Cc1nc2c3ccccc3nc(S[C@H](C)C(=O)Nc3ccccc3)n2n1 8756352 FMNMINGHJKYCSH-GFCCVEGCSA-N 363.446 3.705 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1OCC 7709503 BOCCXDJSMZEYIP-UHFFFAOYSA-N 372.446 3.833 0 40 FHAB CCOc1ccc(OCCON=c2c(C)nc3ccccc3nc2C)cc1 7785444 OIPORAVXETZNIN-UHFFFAOYSA-N 365.433 3.557 0 40 FHAB CCOc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)ccc1O 8780370 JJRXFQNDPZBOFM-QRWLVFNGSA-N 368.433 3.536 0 40 FHAB CCS[C@H](C)c1noc(CSCc2ncn(-c3ccccc3)n2)n1 92335331 XCUGRVXOJLGXHZ-GFCCVEGCSA-N 361.496 3.898 0 40 FHAB CN1C(=O)CC[C@H](C(=O)Nc2ncc(C(C)(C)C)s2)[C@@H]1c1ccccc1 81234309 RVCBAGJSPGPHDY-YOEHRIQHSA-N 371.506 3.989 0 40 FHAB Cc1nn(Cc2ccc(C(=O)NCc3ccncc3)cc2)c(C)c1Cl 28575998 DBFNJOBWQYSXHH-UHFFFAOYSA-N 354.841 3.527 0 40 FHAB CC[C@H](OC(=O)c1c(NC(C)=O)sc(C)c1C)C(=O)Nc1ccccc1 9872332 BHMZTVDEFBBFGA-HNNXBMFYSA-N 374.462 3.897 0 40 FHAB COc1ccc(OCc2nnc3sc(-c4ccc(C)cc4)nn23)cc1 96026189 DYKYWHFPEYKYHA-UHFFFAOYSA-N 352.419 3.749 0 40 FHAB CC(=O)N[C@@H]1CCCC[C@@]12CN(Cc1ccc(C(C)(C)C)cc1)CCO2 306127113 FORUAOFMHHWLNJ-IFMALSPDSA-N 358.526 3.634 0 40 FHAB COc1ccc(CCc2nnc(-c3cnc4onc(C5CC5)c4c3)o2)cc1 71890728 DXAKYBLNWNSSLU-UHFFFAOYSA-N 362.389 3.944 0 40 FHAB CC(C)Cc1nnc2sc(-c3[nH]nc(C(C)C)c3Br)nn12 72404815 VUJVWVWCWAKEJR-UHFFFAOYSA-N 369.292 3.660 0 40 FHAB OCCc1ccc(OCc2cccc(F)c2)c(-n2nc3ccccc3n2)c1 84605732 LZVZHKNLZCBPTH-UHFFFAOYSA-N 363.392 3.673 0 40 FHAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccnn1-c1ccccc1C 95959121 BQZCJIZTKZHKER-UHFFFAOYSA-N 373.416 3.627 0 40 FHAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)N[C@@H](C)c3cn[nH]c3)c12 89567460 YKMQNFOKKHNCBO-JTQLQIEISA-N 365.368 3.551 0 40 FHAB COc1cc(/C=C2/NC(=O)NC2=O)ccc1OCc1cccc2ccccc12 409048601 SOCYIXHNSRBPIC-WOJGMQOQSA-N 374.396 3.608 0 40 FHAB COc1ccccc1-c1nc(CC(=O)Nc2cc(Cl)ccc2C)no1 35316273 WENZRJNIHIYKEA-UHFFFAOYSA-N 357.797 3.888 0 40 FHAB Fc1ccc(-n2c(SCCN3CCCC3)nnc2-c2cccnc2)cc1 35310727 BSGJGTVJEYVBCL-UHFFFAOYSA-N 369.469 3.656 0 40 FHAB CC(=O)c1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2C2CC2)cc1 36636114 KYYDYQGZHZQTPJ-UHFFFAOYSA-N 360.417 3.908 0 40 FHAB COc1ccc([C@@]2(CCNC3CCN(C)CC3)CCOC(C)(C)C2)cc1 31819145 YFWZPSFRPAVUEZ-QFIPXVFZSA-N 360.542 3.596 0 40 FHAB CCc1nnc(Nc2cncc([C@@H]3CCCN3Cc3ccccc3)n2)s1 72376197 PKJNSRFLYGKGDE-INIZCTEOSA-N 366.494 3.971 0 40 FHAB COc1cccc2cc(C(=O)NCc3ccc(CN4CCCC4)cc3)oc12 44872090 MELJEYBLJFIWMN-UHFFFAOYSA-N 364.445 3.967 0 40 FHAB CCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2scnc2C)n1 72379038 BIQFWBLYLOYAOW-HNNXBMFYSA-N 367.478 3.572 0 40 FHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 225210022 RFTVJUAEMTVENK-SJORKVTESA-N 370.468 3.700 0 40 FHAB CC(C)C(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCCc1ccccc1 222912602 OGXONYXMACHYIN-QGZVFWFLSA-N 370.468 3.558 0 40 FHAB O=C(N[C@H](c1cccnc1)C1CCOCC1)c1ccc2ncsc2c1 225622587 DJZOOQLZDOEZFI-SFHVURJKSA-N 353.447 3.589 0 40 FHAB Cc1nc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2[nH]1 44921900 LCVNGNUGXCWRTP-UHFFFAOYSA-N 356.234 3.979 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C)cc1 222967164 WJSFMPHBUABHDJ-KRWDZBQOSA-N 370.468 3.620 0 40 FHAB COC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 48007687 JUSPKOOATOMXAO-QGZVFWFLSA-N 364.405 3.719 0 40 FHAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc[nH]2)c1 224519864 FAAKWUMJNLCXIZ-ROUUACIJSA-N 350.447 3.595 0 40 FHAB COc1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2)c(OC)c1OC 43748987 CXVIJAYDLSENQR-IZZDOVSWSA-N 361.825 3.695 0 40 FHAB O=C(CCCOc1ccc(Cl)cc1)NCCOc1ccc(F)cc1 224146056 LONMUSSMULVLTR-UHFFFAOYSA-N 351.805 3.833 0 40 FHAB CC(C)n1nccc1NC(=O)[C@@H](C)N(C)CC12CC3CC(CC(C3)C1)C2 40005790 KNCWLXZCJZTWOG-NEFAXPCMSA-N 358.530 3.939 0 40 FHAB CC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 225765529 MZJBGTAKPLUQLS-AWEZNQCLSA-N 352.434 3.930 0 40 FHAB Cc1cc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c(Cl)cc1Cl 95945920 CJCOQJSZIXZQSW-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB Cc1cc(C(=O)N[C@H](C)c2onc(-c3ccc(F)cc3)c2C(=O)O)c(C)o1 96296975 LZYBVAAOQHNXBV-SNVBAGLBSA-N 372.352 3.880 0 40 FHAB biogenic,in-vitro O=C(O)[C@@H](c1ccccc1C(F)(F)F)N1CC[C@H](c2cccnc2)C1 583818345 XROIIRLKYMNEED-XJKSGUPXSA-N 350.340 3.716 0 40 FHAB Cc1cc([C@@H]2CCCCN2Cc2ncc[nH]2)nc(-c2c(C)noc2C)n1 257217144 CXRUSYSLEFLTRC-INIZCTEOSA-N 352.442 3.507 0 40 FHAB Cc1cn2c([C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)cccc2n1 257211447 BYWUUTFUCIZRKR-KRWDZBQOSA-N 351.425 3.731 0 40 FHAB Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H](Oc3ccccc3)[C@@H]2O)c(O)c1 257295358 QXZWNTNCPBAJCU-HMXCVIKNSA-N 369.461 3.524 0 40 FHAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 42766008 DQNRCVWVUYNSNE-UHFFFAOYSA-N 355.438 3.516 0 40 FHAB Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)C3CCC(F)(F)CC3)C2)n1 257209522 BQTBPDZAIFPFNL-HNNXBMFYSA-N 351.441 3.597 0 40 FHAB CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)c3ocnc3C(F)F)n2)cc1 624762595 WJLBMPYJYHYXBV-UHFFFAOYSA-N 361.352 3.947 0 40 FHAB O=C(c1cnc2ccccc2c1)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 654996450 TWCBRNKFQXCZRN-ZDUSSCGKSA-N 374.366 3.997 0 40 FHAB CCNc1ncc(CN2CCc3onc(-c4ccc(Cl)cc4)c3C2)cn1 67787723 GOVRWYIBUBMDFJ-UHFFFAOYSA-N 369.856 3.775 0 40 FHAB CC1(C)CN(CCOCC(F)F)[C@@H]1c1nccn1-c1ccc(F)cc1 1775960614 WFDJDQJKERHYMA-MRXNPFEDSA-N 353.388 3.676 0 40 FHAB CC(C)(C)OC(=O)N1CCN(Cc2ccc(Br)s2)CC1 109315720 IDPQEUJVETXNMC-UHFFFAOYSA-N 361.305 3.563 0 40 FHAB COc1ccc(Cl)cc1NC(=O)NC[C@H](OC)c1ccccc1OC 96385376 KNMBYZJIFJJQDZ-KRWDZBQOSA-N 364.829 3.866 0 40 FHAB Cc1nc(CS(=O)(=O)Cc2coc(-c3ccc(Cl)cc3)n2)oc1C 58341041 SQFDJFJGONNLKE-UHFFFAOYSA-N 366.826 3.715 0 40 FHAB COc1c(C)cnc(CN(C)C(=O)Nc2ccccc2N2CCCC2)c1C 58608822 NZZBTUUIKAUSKI-UHFFFAOYSA-N 368.481 3.971 0 40 FHAB CSc1ncc(C(=O)N2CCC[C@H](c3cc4ccccc4cn3)C2)cn1 12188251 ZWENUVDXZSWQES-INIZCTEOSA-N 364.474 3.767 0 40 FHAB CC(C)c1ccc(-c2nnn(CCC(=O)Nc3ccc(F)c(F)c3)n2)cc1 12865494 YFJMWLSDRHGDLH-UHFFFAOYSA-N 371.391 3.771 0 40 FHAB Cc1cc(-c2cnn(C)c2[C@H]2CCCCN2C(=O)c2ccccc2F)on1 19124412 HJXKDEJZTGYXEE-QGZVFWFLSA-N 368.412 3.890 0 40 FHAB O=c1cc(-c2cnn3c(C(F)F)cc(C4CC4)nc23)[nH]n1-c1ccccc1 19374412 SOCCYCHLGRMLDR-UHFFFAOYSA-N 367.359 3.690 0 40 FHAB COc1ccc(C(=O)N2CCC[C@@H](c3cc4ncccc4[nH]3)C2)c(OC)c1 19551904 CYUKVGOYHXOTRO-CQSZACIVSA-N 365.433 3.600 0 40 FHAB COCCn1c(C)c(C(=O)N[C@H]2CCOc3ccccc32)c2ccccc21 19666598 YZGVYVRRVNUYMY-SFHVURJKSA-N 364.445 3.850 0 40 FHAB CCc1nn2c(ncc3c(=O)n(-c4ccncc4)ccc32)c1-c1ccccc1 19818855 BQJCBXKJBCUUOF-UHFFFAOYSA-N 367.412 3.658 0 40 FHAB O=C(NC1CCCC1)c1cc(C2CCN(Cc3cccc(F)c3)CC2)no1 19293798 HYXRHLRJDGWTPT-UHFFFAOYSA-N 371.456 3.866 0 40 FHAB C[C@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]12 100060879 BYVFOFBKVZWNOW-CZPYZCIJSA-N 371.742 3.582 0 40 FHAB Cc1c(C)n2c(SCc3ccc(Cl)c(Cl)c3)nnc2[nH]c1=O 4250487 HLUPTDLVCLNJDA-UHFFFAOYSA-N 355.250 3.634 0 40 FHAB c1coc(-c2nnc3sc(CCc4nc5ccccc5s4)nn23)c1 6668722 PKPNOZLJOQZKAP-UHFFFAOYSA-N 353.432 3.841 0 40 FHAB CC(C)(C)NC(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1 22907660 SFNRMLMCSRIKLQ-QGZVFWFLSA-N 357.523 3.945 0 40 FHAB O=C(Cc1csc(-c2ccsc2)n1)NCc1nc2ccccc2[nH]1 8746461 RQIBAXQBKHZUDO-UHFFFAOYSA-N 354.460 3.607 0 40 FHAB O=C1OCCN1c1cccc(CNc2ncnc3c2oc2ccccc23)c1 40149275 WQPGMOVIABKUEP-UHFFFAOYSA-N 360.373 3.945 0 40 FHAB CCc1nc(CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cs1 40116437 ZUQYHOSBLKWVQB-HXUWFJFHSA-N 371.506 3.970 0 40 FHAB CC(C)(C)c1ccc(OCCN2CCn3c2nc2ccccc2c3=O)cc1 101174859 JGHIEMWEMVGXJL-UHFFFAOYSA-N 363.461 3.593 0 40 FHAB OCCCNCc1ccc(OCc2ccccc2)c(Br)c1 40743692 SXJGPSYMCCSKAG-UHFFFAOYSA-N 350.256 3.500 0 40 FHAB Cc1nc(NC(=O)CCCCCn2cnc3ccccc3c2=O)sc1C 32104905 WSMDNRFOBZMYHZ-UHFFFAOYSA-N 370.478 3.669 0 40 FHAB COc1ccc(NC(C)=O)cc1NCc1nc(-c2ccccc2C)no1 11620619 CJQFDFPMVZQUQW-UHFFFAOYSA-N 352.394 3.624 0 40 FHAB Cc1nc(NC(=O)c2ccc(Cl)cc2)ccc1I 679701 WFOIPERBPPUPGM-UHFFFAOYSA-N 372.593 3.900 0 40 FHAB CCc1ccc(NC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 706822 NCJUYCCWGHKBLB-UHFFFAOYSA-N 366.490 3.856 0 40 FHAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(-c2cnc(C)o2)cc1 29858093 OQFLSUFJBIFVLQ-UHFFFAOYSA-N 359.385 3.715 0 40 FHAB Cc1nc(N)n2c(SCc3ccccc3)nnc2c1Cc1ccccc1 1331319 MRNLYIMXBURSCB-UHFFFAOYSA-N 361.474 3.898 0 40 FHAB Cc1nnc(NC(=O)CSc2nc3cc4c(cc3cc2C)CCC4)s1 1339931 KOBCJBKBQRIECM-UHFFFAOYSA-N 370.503 3.923 0 40 FHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1cccc(Br)c1 102158439 QQEBKXADGXLDAT-TYNCELHUSA-N 368.271 3.547 0 40 FHAB O=C(Cc1ccccc1F)Nc1nc2cc3c(cc2s1)OCCCO3 32719662 PJOFIHVWVBSJQZ-UHFFFAOYSA-N 358.394 3.778 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccc3ccccc3n2)c1 3513597 KDWLYMYUGRUNPF-AWEZNQCLSA-N 362.385 3.621 0 40 FHAB CCCCn1c(Cc2ccccc2)nnc1SCC(=O)NC1CCCC1 4161291 RBOLPDGAIKXXSK-UHFFFAOYSA-N 372.538 3.820 0 40 FHAB Cc1cccc(NC(NC(=O)CC(C)C)(C(F)(F)F)C(F)(F)F)n1 4480463 RUGJIDYNNPHZOB-UHFFFAOYSA-N 357.298 3.785 0 40 FHAB CN(C(=O)COCc1nc2ccccc2s1)[C@@H]1CCc2ccccc21 37149154 MRGAMGYCGUBDTL-QGZVFWFLSA-N 352.459 3.959 0 40 FHAB O=C(Nc1nc(CN2CCCCCC2)cs1)c1cc(Cl)ccn1 37136802 SECKYCFKUBRULV-UHFFFAOYSA-N 350.875 3.820 0 40 FHAB Cc1ccc(Cn2ccs/c2=N\C(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 7785580 WRZSBWIHPVGGPJ-BQHWHHKNSA-N 370.449 3.940 0 40 FHAB COc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1OC(C)C 7893696 FEKXZCYIRMTIMX-VCHYOVAHSA-N 374.353 3.745 0 40 FHAB Cc1ccc2[nH]c(SCC(=O)c3ccc4c(c3)CCC(=O)N4)nc2c1 7901121 OZULQIYFGDOXQM-UHFFFAOYSA-N 351.431 3.731 0 40 FHAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3ccc(F)cc3)cc21 8959460 AEMLUVKZKZEGGD-UHFFFAOYSA-N 370.424 3.778 0 40 FHAB CCCc1cc(=O)oc2cc(OS(=O)(=O)c3ccccc3F)ccc12 21820843 UHFRHBMKQVFJTQ-UHFFFAOYSA-N 362.378 3.652 0 40 FHAB CCc1ccccc1NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10328209 YEVUPYPGSHVGPR-INIZCTEOSA-N 374.506 3.659 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)c1ccc(-n2cccc2)cc1)c1ccc(F)cc1 10656556 WDOBCBWECFLIPX-FQEVSTJZSA-N 374.419 3.869 0 40 FHAB Cc1ccc(S[C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 639884 AIVLVRMKCVXCKT-MRXNPFEDSA-N 358.482 3.964 0 40 FHAB CCCCn1c(SCC(=O)N2CCO[C@H]3CCCC[C@@H]32)nc(C)c1C 53741235 IDAGPVDVVQJNAI-IRXDYDNUSA-N 365.543 3.562 0 40 FHAB CCCN1CCN([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 22787098 VKVRSKBKZWRWAQ-FQEVSTJZSA-N 355.457 3.533 0 40 FHAB O=C(Cn1cnc2sccc2c1=O)c1ccc2c(c1)-c1ccccc1C2 23064739 DPRHMGRKYHGJSP-UHFFFAOYSA-N 358.422 3.912 0 40 FHAB CN(Cc1cc2ccccc2n(C)c1=O)C(=O)Nc1cccc(Cl)c1 12409305 XPYLAVDNJGYTQC-UHFFFAOYSA-N 355.825 3.856 0 40 FHAB CCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 23397714 VOTFRSAPQXJJEQ-UHFFFAOYSA-N 370.430 3.895 0 40 FHAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1sc(-c2ncccn2)nc1C 55045684 RSYBKLXBQYLGMP-GFCCVEGCSA-N 368.462 3.717 0 40 FHAB CN(Cc1csc(-c2ccc(C(N)=O)cc2)n1)c1ccc(F)c(F)c1 55022374 BTDIOCXNDQKEKX-UHFFFAOYSA-N 359.401 3.824 0 40 FHAB COc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1 24560031 MNZZWSLHZHUZBQ-HXUWFJFHSA-N 361.445 3.747 0 40 FHAB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccccc1O 24987668 UMFYFABLUXIIIS-UHFFFAOYSA-N 355.419 3.937 0 40 FHAB Cc1cc(C(C)(C)C)ccc1OC[C@H](O)Cn1cnc2sccc2c1=O 25055456 VYBUSFCVNNSLGU-OAHLLOKOSA-N 372.490 3.504 0 40 FHAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCCCCC2)c1 3217720 WDXDHHQMNXISGY-UHFFFAOYSA-N 372.490 3.528 0 40 FHAB CC1CCN(c2cc(SCC(=O)Nc3ccccc3F)ncn2)CC1 57505568 WHFNZWVREFEGOS-UHFFFAOYSA-N 360.458 3.583 0 40 FHAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(CN2CCOCC2)c1 68368472 YNRDNVNFJNUIGO-UHFFFAOYSA-N 364.367 3.790 0 40 FHAB COc1ccc(NC(=S)NC2C[C@H]3CC[C@H](C2)N3Cc2ccco2)cc1 100423661 JXOWKSIRPDGBPA-IAGOWNOFSA-N 371.506 3.770 0 40 FHAB Cc1cccc(C)c1OCC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 1940118 XVASREBOQVRWNS-NSHDSACASA-N 372.490 3.606 0 40 FHAB O=C(NCc1ncc(-c2ccccc2)[nH]1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 109094582 OAAGATWNPLFLCL-GJZGRUSLSA-N 353.372 3.775 0 40 FHAB O[C@@H]1CCCN(c2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)C1 3329901 ZASPGFREWFLJTO-CQSZACIVSA-N 366.490 3.593 0 40 FHAB Cc1c(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc3C2)oc2ccccc12 3356197 QFVZODSKHBGJIU-HNNXBMFYSA-N 363.413 3.871 0 40 FHAB Cc1ccc(NC(=O)CN2C(=O)COc3cc(C(C)(C)C)ccc32)c(C)c1 44841458 JLUAUZUBGPXKDY-UHFFFAOYSA-N 366.461 3.965 0 40 FHAB CC[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(OC)cc1 18091389 HUQXGYXFFZLYFD-LJQANCHMSA-N 352.434 3.703 0 40 FHAB COc1ccccc1-c1nnc2sc(COc3ccc(F)cc3)nn12 2197363 OBXVZGRAUFLIHV-UHFFFAOYSA-N 356.382 3.580 0 40 FHAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@H]3c2cccc(O)c2)c1 44916800 ZOKMGQALWCBWQC-HNNXBMFYSA-N 365.389 3.719 0 40 FHAB Cn1c(SCc2cccc(Br)c2)nnc1-c1ccccn1 2399552 SXSVWYGYNXDRJR-UHFFFAOYSA-N 361.268 3.932 0 40 FHAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1cccc2cccnc12 10914225 VPGOZIIVIRDBCK-UHFFFAOYSA-N 367.792 3.825 0 40 FHAB COc1ccc(OCCSc2nnc(-c3ccc(OC)cc3)o2)cc1 3458838 MQZIKGPFVSDWIJ-UHFFFAOYSA-N 358.419 3.925 0 40 FHAB COc1ccc(OCC(=O)Nc2c(-c3ccccc3)ncn2C2CC2)cc1 62582632 NBTBYFTYXPSEMI-UHFFFAOYSA-N 363.417 3.911 0 40 FHAB O=C(O)c1ccc2c(=O)[nH]c(CSC34CC5CC(CC(C5)C3)C4)nc2c1 12978146 PYKJDTGDCKTFDR-UHFFFAOYSA-N 370.474 3.823 0 40 FHAB CC(C)COc1cccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 12920823 PCOALWNQZATZTQ-UHFFFAOYSA-N 352.434 3.866 0 40 FHAB Cn1cnnc1SCc1csc(COc2ccc(Cl)cc2)n1 12910088 GNKFOZUWOOAUFH-UHFFFAOYSA-N 352.872 3.796 0 40 FHAB CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)ccc1O 8780367 JJRXFQNDPZBOFM-MGPUTAFESA-N 368.433 3.536 0 40 FHAB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)N1c2ccccc2C[C@@H]1C 8704083 FLCJQYXLXLCOBR-QWRGUYRKSA-N 360.508 3.571 0 40 FHAB O=C(Cn1c(-c2ccc(Cl)cc2)n[nH]c1=S)N1CCCCCC1 14161820 IKSJSYWATYOVFM-UHFFFAOYSA-N 350.875 3.664 0 40 FHAB O=C1N(CCCOc2ccccc2)c2ccc(Cl)cc2C12OCCCO2 4539472 VMRUFKNMIDMQEZ-UHFFFAOYSA-N 373.836 3.745 0 40 FHAB O=C(NCc1ccccn1)c1cn(-c2ccccc2)nc1-c1ccccc1 4561947 XSYRWRLZYBPDDE-UHFFFAOYSA-N 354.413 3.864 0 40 FHAB O=C(N[C@H](Nc1ccccc1F)C(=O)c1ccccc1)c1cccs1 4714269 IBCMMGAEVGKTBU-SFHVURJKSA-N 354.406 3.938 0 40 FHAB CC(=O)Nc1ccc(Nc2ncnc3c2cnn3Cc2ccc(C)cc2)cc1 6719329 CPZQGYYOCNIXTB-UHFFFAOYSA-N 372.432 3.885 0 40 FHAB Cn1nc(C(C)(C)C)cc1-c1nn2c(-c3ccc(F)c(F)c3)nnc2s1 71287043 MBJPLTWCKLTMAJ-UHFFFAOYSA-N 374.420 3.829 0 40 FHAB CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc2c(c1)OCO2 7639792 BQRWRWYYKFRTAW-UHFFFAOYSA-N 367.232 3.793 0 40 FHAB COC(=O)c1ccc(/C=C2/C(=O)N(C)c3ccc(Br)cc32)cc1 16045100 XJEBCYFRFGEQPH-OQLLNIDSSA-N 372.218 3.753 0 40 FHAB Cc1ccccc1OCC(=O)NCc1c(C)nn(Cc2ccccc2)c1C 7823876 YAYSPGLTUKWAOZ-UHFFFAOYSA-N 363.461 3.552 0 40 FHAB Cc1ccc(-n2nc3ccc(NS(=O)(=O)c4ccccc4)cc3n2)cc1 20609953 DCTHRDBASTZZBV-UHFFFAOYSA-N 364.430 3.530 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H](C)Cn1nc(C(F)(F)F)cc1C 28231505 FCPFABINOFWBRI-NSHDSACASA-N 355.360 3.802 0 40 FHAB CCCN1Cc2cccc(NS(=O)(=O)c3cccc4ncccc34)c2C1 95348532 WGIYBQRYCGASLV-UHFFFAOYSA-N 367.474 3.761 0 40 FHAB O=C(CCc1ccccc1F)N1CCN(C/C=C/c2ccccc2)CC1 62093009 BESCHNFEEFDLIO-RMKNXTFCSA-N 352.453 3.616 0 40 FHAB CCc1ccc(NC(=O)c2sccc2NC(=O)c2cnccn2)cc1 67335928 ONZHMSJPHXBCBV-UHFFFAOYSA-N 352.419 3.605 0 40 FHAB Cc1cc(C(=O)NC[C@H]2CCCN3CCCC[C@H]23)c2cc(F)ccc2n1 504700709 IWGOGVQXAIAKHJ-FOIQADDNSA-N 355.457 3.677 0 40 FHAB biogenic C[C@@H](NC(=O)C(=O)NCC(c1ccccc1)c1ccccc1)c1ccccc1 408707283 MFGIIBLWOBKMPM-GOSISDBHSA-N 372.468 3.812 0 40 FHAB CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2csc(-c3ccccc3)n2)C1 514103449 CARNFIZNAMFOAN-MRXNPFEDSA-N 357.523 3.937 0 40 FHAB COc1ccc(-c2cn(-c3ccc(OC)cc3)c3ncn4ncnc4c23)cc1 3852034 BJLLPSCOUDIPIF-UHFFFAOYSA-N 371.400 3.752 0 40 FHAB biogenic CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(CC)C2=O)cc1Br 409225819 LQCUHNXXKRPNLL-QQMDNXKGSA-N 367.243 3.539 0 40 FHAB CCOc1ccccc1NS(=O)(=O)c1cc(OC)c(Cl)cc1OC 32603678 PGYDZXFJASTIDC-UHFFFAOYSA-N 371.842 3.557 0 40 FHAB O=C(O)[C@H]1CCSCN1C(=O)OCC1c2ccccc2-c2ccccc21 1535644209 CNARUMHQNRRXRD-GOSISDBHSA-N 369.442 3.785 0 40 FHAB O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2 32128009 UHDAMHDCULCAKN-UHFFFAOYSA-N 369.229 3.849 0 40 FHAB O=c1[nH]c(SCc2c(F)c(F)c(F)c(F)c2F)nc2ccccc12 32911024 QRVRTXUJMHEEMU-UHFFFAOYSA-N 358.291 3.911 0 40 FHAB Oc1cc(C2CCN(Cc3ccccc3F)CC2)nc(-c2cccnc2)n1 72392743 DGLQNYAOFOMQFQ-UHFFFAOYSA-N 364.424 3.763 0 40 FHAB Cc1cc(C)c(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)c(C)c1 219715667 JUBTUMYRGVPRKI-UHFFFAOYSA-N 374.506 3.651 0 40 FHAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3CCOC)N21 222685836 KQIOUSLLFDFHEI-BMGDILEWSA-N 356.495 3.509 0 40 FHAB CC1CCN(C(=O)c2snnc2-c2ccc(Br)cc2)CC1 225785072 KKGAGYACBVBAOT-UHFFFAOYSA-N 366.284 3.840 0 40 FHAB CCCc1ccc(OCCNS(=O)(=O)c2ccc(SC)cc2)cc1 223984662 MRESMFLNQWTNPO-UHFFFAOYSA-N 365.520 3.718 0 40 FHAB CCOC(=O)c1cccc(NC(=S)NCc2ccccc2OC)c1C 225312998 JIPAAGGPPBMZDL-UHFFFAOYSA-N 358.463 3.667 0 40 FHAB COc1cc2c(cc1S(=O)(=O)N[C@H](C)c1ccc(C)cc1)CCCC2 224175431 KQZXYWIKLCWISV-OAHLLOKOSA-N 359.491 3.922 0 40 FHAB O=C(NCc1ccc(Cl)cc1)c1cc(OCc2ccccc2)ncn1 225533794 JIYWEXFYFBKTJZ-UHFFFAOYSA-N 353.809 3.639 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C 224127812 KVGBDRMNTYXFNN-OAQYLSRUSA-N 366.505 3.789 0 40 FHAB Cc1n[nH]cc1-c1nnc(NC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)s1 529124075 XRTXRVGQWDPKTG-STQMWFEESA-N 357.414 3.508 0 40 FHAB O=S(=O)(c1ccc(Cl)cc1)[C@H]1[C@H](CO)[C@@H]1c1cccc(Cl)c1 225664693 KAANBJQCTHHYLY-PMPSAXMXSA-N 357.258 3.542 0 40 FHAB COC(=O)c1ccccc1N(C)S(=O)(=O)c1cc(Cl)ccc1Cl 97006587 HVQYYQRBDSQANG-UHFFFAOYSA-N 374.245 3.605 0 40 FHAB COc1ccc2c(c1)OCCN([C@@H](C)c1nc(-c3ccccc3)no1)C2 585080528 IFTTUMMUFQSLJS-AWEZNQCLSA-N 351.406 3.701 0 40 FHAB COCCC(=O)N[C@@]1(C)C[C@H](c2cccc(O)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257298799 RNICLUKTTFZZOR-LUXPHIFBSA-N 361.482 3.570 0 40 FHAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1 260818202 XQWNQTBWYQCCGV-UWJYYQICSA-N 362.514 3.941 0 40 FHAB C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)N1CCc2ccccc2C1 641919614 RHRQHABYRMIAIX-HNNXBMFYSA-N 370.474 3.729 0 40 FHAB COc1cc2c3c(c1)[C@@](O)([C@H]1CCCCCC1=O)C(=O)N3C(C)(C)C=C2C 1740816833 XGHJEPIWKNJMID-AOMKIAJQSA-N 369.461 3.574 0 40 FHAB CC(=O)N1CC[C@H](NCCc2cccc(F)c2)[C@H](Cc2ccc(F)cc2)C1 585284780 HRKUJZXRJSPYOZ-KNQAVFIVSA-N 372.459 3.577 0 40 FHAB O=C1CO[C@@]2(CCCN(Cc3ccsc3)CC2)CN1c1cccc(F)c1 1615125406 ZPQMOOQOSJMKGM-HXUWFJFHSA-N 374.481 3.675 0 40 FHAB Cc1nccn1[C@@H](C)CC(=O)N[C@@H](Cc1ccsc1)c1nccs1 12087878 CLPMEVFGMCDBIQ-WFASDCNBSA-N 360.508 3.761 0 40 FHAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OC)c(OC)c2)c1 14258466 GBGDCLSAQRYKCX-UHFFFAOYSA-N 362.813 3.958 0 40 FHAB CCc1ccc(OCCCn2c([C@H](C)NC=O)nc3ccccc32)cc1 16902419 YEXLPODBPDULJT-INIZCTEOSA-N 351.450 3.875 0 40 FHAB COc1ccc(C(C)(C)C)cc1CN1CCC(O)(Cn2ccnc2C)CC1 19287960 HFHZCEBTUZSJJN-UHFFFAOYSA-N 371.525 3.525 0 40 FHAB Clc1cccc(CN2C[C@H]3CCc4nnc(-c5cccnc5)n4[C@H]3C2)c1 19293433 YPKYXRZYMFLRLB-AEFFLSMTSA-N 365.868 3.613 0 40 FHAB CCCC(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1onc(C)c1C 19501365 CUZXSBMYAMAWKG-INIZCTEOSA-N 371.485 3.668 0 40 FHAB CCN(C(C)=O)[C@@H]1CN(Cc2c(C)nc3sccn23)C2(CCCCC2)C1 19703844 LIOWEEWWQGYKFT-KRWDZBQOSA-N 374.554 3.850 0 40 FHAB O=C(OCC(=O)N1CCCCCC1)c1cc(Br)ccc1Cl 3320044 UFKAQBLNMSAGKP-UHFFFAOYSA-N 374.662 3.662 0 40 FHAB COc1cc(C(=O)O[C@@H](C)C(=O)c2ccc(F)cc2)cc(Cl)c1OC 5429849 ORIQFGDXQXCXCP-JTQLQIEISA-N 366.772 3.925 0 40 FHAB Cc1cccc(CN2CC[C@@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@H]32)n1 1889114178 QSHDJNBAFIZHMY-RHSMWYFYSA-N 362.399 3.515 0 40 FHAB Cc1nsc(N2CCC[C@@H](COc3ncccc3C(F)(F)F)C2)n1 1776001544 ZENDJWXDJVGJID-LLVKDONJSA-N 358.389 3.556 0 40 FHAB O=C(c1ccc2ncsc2c1)N1CC[C@H](c2noc(-c3ccco3)n2)C1 244950787 FLQCSTCRDBQFPN-LBPRGKRZSA-N 366.402 3.569 0 40 FHAB CC(C)(CO)Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 828007 SPJUYEPQIKHPLY-UHFFFAOYSA-N 350.426 3.542 0 40 FHAB O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1ccc(F)cc1 4317842 RSHXRVOZRSQOPV-UHFFFAOYSA-N 359.360 3.982 0 40 FHAB COc1ccccc1NC(=O)NC[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 9040183 FXYQLOBNVDQJMM-CYBMUJFWSA-N 373.840 3.523 0 40 FHAB CCn1/c(=N\C(=O)c2ccco2)sc2cc(Br)ccc21 12180845 HMVOLCRMTFBSTD-JQIJEIRASA-N 351.225 3.819 0 40 FHAB CCc1nc2sc([C@@H](c3ccc(F)cc3)N3CCCCC3)c(O)n2n1 22853064 XSLVDBDCLQMSHJ-OAHLLOKOSA-N 360.458 3.773 0 40 FHAB O=C(NCc1nccnc1-c1ccncc1)NCc1cccc2ccccc12 575620515 NWPGTWJNCYZPOY-UHFFFAOYSA-N 369.428 3.691 0 40 FHAB COc1ccc2oc(C(=O)NC[C@H](c3ccco3)N3CCCC3)c(C)c2c1 9532727 ZBLQAQUXCAGENE-QGZVFWFLSA-N 368.433 3.910 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@@H](c1ccccc1)c1ccccn1 30867690 ZOUOESMLQJBWDU-NRFANRHFSA-N 369.424 3.960 0 40 FHAB C[C@H](NC(=O)c1csc(-c2ccsc2)n1)c1ccc2c(c1)CC(=O)N2 46224617 VPVBYNWQQNCBFG-JTQLQIEISA-N 369.471 3.857 0 40 FHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1F 779193 KDXNIJAYKJTCJZ-UHFFFAOYSA-N 370.453 3.759 0 40 FHAB O=C(COc1ncnc2scc(-c3ccc(F)cc3)c12)NC1CCCC1 2619703 RZVWDEGBHQFBTO-UHFFFAOYSA-N 371.437 3.935 0 40 FHAB Cc1cc2ccccc2n2c(SCC(=O)NC3CCCCC3)nnc12 1223174 DNYGABAHSRNMBM-UHFFFAOYSA-N 354.479 3.732 0 40 FHAB CC(C)[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NC1CCCC1 1381295 CMUPUOZYUIMSBA-LLVKDONJSA-N 365.282 3.690 0 40 FHAB O=C1OC2(CCN(Cc3ccccc3)CC2)C(=O)N1c1cccc(Cl)c1 1705543 HATLMFQWOBGFLV-UHFFFAOYSA-N 370.836 3.858 0 40 FHAB CCN1CCc2nc(NC(=O)CCCOc3cccc(C)c3)sc2C1 21295157 CRGKUSWDINZPCZ-UHFFFAOYSA-N 359.495 3.627 0 40 FHAB COc1ccc(C2=Cc3cc(OC)c(OC)cc3[C@@H](OC)O2)cc1OC 2097825 OEQIXJWZYGZSCY-FQEVSTJZSA-N 358.390 3.894 0 40 FHAB biogenic C[C@@H]1[C@@H](NC(=O)COc2ncnc3sc4c(c23)CCCC4)CCC[C@H]1C 102247091 FROSNEFKFCPYPC-IPYPFGDCSA-N 373.522 3.890 0 40 FHAB Cc1c(Cl)cccc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 7670167 MLPMLWPRYBUSHX-UHFFFAOYSA-N 359.781 3.897 0 40 FHAB Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NS(C)(=O)=O 10328452 DIDPBYBSBHLQHF-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB CNC(=O)c1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)c1 8231102 GJKHOENYBNNALF-UHFFFAOYSA-N 358.397 3.530 0 40 FHAB CC1(C)CC2=Nc3nonc3N[C@H](c3ccc4c(c3)OCCO4)C2=C(O)C1 102747983 AOYBQYDFWNXISI-MRXNPFEDSA-N 368.393 3.712 0 40 FHAB COc1ccccc1[C@H](Nc1ncnc2ccsc12)c1nccn1C 8725639 DEYHGPXZFWANQE-HNNXBMFYSA-N 351.435 3.635 0 40 FHAB O=C(NCCC(=O)N(Cc1ccccc1F)C1CC1)c1ccc(Cl)cc1 19296138 ZUSSJFGMLSQKOG-UHFFFAOYSA-N 374.843 3.790 0 40 FHAB C[C@]12C[C@H]3O[C@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](N1CCCC1)[C@@H]2O 22010902 OPYVYACKKDTREB-NXECLLCESA-N 359.554 3.842 0 40 FHAB in-vitro CC(C)C(=O)Nc1ccc(I)cc1C(F)(F)F 679720 JPPXKSWAOVNGLB-UHFFFAOYSA-N 357.113 3.905 0 40 FHAB CC[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)ccc1OC 27978740 RWQNZSJSXNAIPV-AWEZNQCLSA-N 363.797 3.873 0 40 FHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCN(CCc2ccccc2)CC1 22935501 AXDBQCZCBYGCGZ-KRWDZBQOSA-N 371.912 3.527 0 40 FHAB CC(=O)Nc1cccc(-n2nnnc2SCc2ccc(Cl)s2)c1 23073274 BOBPGNXHEAXESJ-UHFFFAOYSA-N 365.871 3.628 0 40 FHAB CCc1ccccc1NC(=O)C12C[C@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 102846647 FHDZDONWKKBGKG-AJHHTPGJSA-N 350.466 3.775 0 40 FHAB CCOc1ccccc1NC1=C(Cl)C(=O)N(c2cccc(OC)c2)C1=O 939895 TWXZZTGBWUZSJS-UHFFFAOYSA-N 372.808 3.530 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 22514540 RWLAFKJJCNOJMW-RDTXWAMCSA-N 373.449 3.747 0 40 FHAB O=C(CCSCc1cn2ccccc2n1)N[C@H]1CCOc2ccccc21 24834000 XVKNUUFKOXKEOI-KRWDZBQOSA-N 367.474 3.598 0 40 FHAB O=C1c2ccccc2N[C@@H](c2ccc(O)cc2)N1Cc1ccc2c(c1)OCO2 8133516 QGVATQQTHGAMGK-OAQYLSRUSA-N 374.396 3.888 0 40 FHAB O=C1c2ccccc2C(=O)N1CCc1csc(-c2cccc(F)c2)n1 1385114 YTGSAHLSZMMNRT-UHFFFAOYSA-N 352.390 3.788 0 40 FHAB Cc1c(C(=O)Nc2ccccn2)cnn1-c1ccc(Br)cc1 25391609 OWPFMYLRYWJXIU-UHFFFAOYSA-N 357.211 3.591 0 40 FHAB CCOc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1C 22250811 UEXRMNMGUFYWAY-JXMROGBWSA-N 364.489 3.865 0 40 FHAB Cc1cc(C)c(S(=O)(=O)Nc2ccccc2N2CCCC2=O)c(C)c1 12557161 TWDYSFNPTSMMTF-UHFFFAOYSA-N 358.463 3.539 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)CNc1cc2c(cc1Cl)OCCCO2 57818668 JREBUMJIVZQXSV-ZDUSSCGKSA-N 372.852 3.891 0 40 FHAB C[C@H](NC(=O)Nc1ccc2c(c1)OCO2)c1nc(-c2ccccc2)c[nH]1 57997181 KJLGQDKILGIUED-LBPRGKRZSA-N 350.378 3.688 0 40 FHAB CCn1c(SCC(=O)Nc2c(C)cccc2C)nc2ccsc2c1=O 27818443 XTQUSCXWPBXQIZ-UHFFFAOYSA-N 373.503 3.826 0 40 FHAB O=C(NCc1ccc(F)cc1C(F)(F)F)c1ncoc1[C@H]1CCCO1 78730592 BKFCBFKKQVGIAQ-GFCCVEGCSA-N 358.291 3.614 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 22514535 RWLAFKJJCNOJMW-KSSFIOAISA-N 373.449 3.747 0 40 FHAB CCc1noc(CN(C)c2ncnc3sc(-c4ccccc4)cc23)n1 58218613 WQNDVRWVLSWFBT-UHFFFAOYSA-N 351.435 3.940 0 40 FHAB Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1cccnc1N(C)C 173741103 MEQOBJQASFDMDC-UHFFFAOYSA-N 355.829 3.547 0 40 FHAB CSc1nc(C)c(CCC(=O)N2CCC[C@H]2c2ccc(O)cc2)c(C)n1 58222766 DRXHWCQVHBHRMO-SFHVURJKSA-N 371.506 3.817 0 40 FHAB CN(C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2)[C@@H]1CCCCNC1=O 58309579 JSMPLGGYZMDZOE-HUUCEWRRSA-N 362.539 3.640 0 40 FHAB O=C(OCc1nc(-c2cccs2)no1)c1c[nH]nc1-c1ccccc1 12630139 SADLQMOFHQCMIV-UHFFFAOYSA-N 352.375 3.545 0 40 FHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccc(Cl)cc1F 11159920 KGFQGTHNPVXZSK-NSHDSACASA-N 361.804 3.655 0 40 FHAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc3c(C)cc(C)cc3[nH]2)c1 28813811 PRGZDEXQSUHIAU-UHFFFAOYSA-N 372.446 3.536 0 40 FHAB C[C@H](NC(=O)CN1CCCCCC1=O)c1ccc(-c2ccccc2)cc1 29097737 VMCDPGRXGVUUAR-KRWDZBQOSA-N 350.462 3.933 0 40 FHAB O=C(Nc1ccc2ccccc2n1)c1cccc(NC(=O)[C@H]2CCCO2)c1 12756147 LWYYWGPKRDKMQU-GOSISDBHSA-N 361.401 3.605 0 40 FHAB COc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)c1 20141410 GFQMUNZWSRYXAA-UHFFFAOYSA-N 353.374 3.708 0 40 FHAB O=C1O[C@H](C(=O)N[C@H](c2ccccc2)c2cccs2)Cc2ccccc21 12871148 TVVCRBWOWUJYJP-PKOBYXMFSA-N 363.438 3.735 0 40 FHAB C[C@H](Sc1cc(C(N)=O)c2ccccc2n1)C(=O)Nc1ccccc1F 12821064 BMLHITCEGSCGJL-NSHDSACASA-N 369.421 3.592 0 40 FHAB CCn1c(SCc2nc(-c3ccccc3)no2)nc2ccsc2c1=O 12873306 WGBDWGSHKWNUQF-UHFFFAOYSA-N 370.459 3.820 0 40 FHAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCC[C@H]1c1cccs1 8320235 OVTJGBXUSAORBZ-INIZCTEOSA-N 369.490 3.649 0 40 FHAB CC(=O)NC(=O)c1cc2cc(Cl)ccc2o/c1=N\c1cccc(C)c1 17130877 QBUQVUSAWLKBBN-QOCHGBHMSA-N 354.793 3.903 0 40 FHAB O=C(COC(=O)c1cc2ccccc2[nH]1)Nc1ccc(OC(F)F)cc1 5037030 TZJUMNVPXJJQQB-UHFFFAOYSA-N 360.316 3.565 0 40 FHAB COc1ccc2nc(SCC(=O)N[C@H](C)CCc3ccccc3)[nH]c2c1 4274363 JVSDKDKENCKJAA-CQSZACIVSA-N 369.490 3.801 0 40 FHAB CCC(C)(C)NCc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 13717790 RXKWBXALNMBHOV-UHFFFAOYSA-N 367.453 3.741 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 4385163 AHZYFCUGELEULV-AWEZNQCLSA-N 372.852 3.957 0 40 FHAB COc1ccc(-c2nnc3sc(COc4ccccc4C)nn23)cc1 13956899 NQXPVYLQNGGUED-UHFFFAOYSA-N 352.419 3.749 0 40 FHAB O=C1OC(c2cccs2)=N/C1=C\c1cccc(NC(=O)C(F)(F)F)c1 14171687 QAPNXNBAAIJMFF-FLIBITNWSA-N 366.320 3.593 0 40 FHAB Clc1ccc(-c2cc(CSc3nnnn3Cc3ccco3)on2)cc1 14244907 FQQJCOXRRSXNMV-UHFFFAOYSA-N 373.825 3.915 0 40 FHAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1 14239039 BUXVEZVSVBCDQH-LLVKDONJSA-N 351.328 3.854 0 40 FHAB C[C@@H](NCc1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)ccc1Cl 14254277 BQTUGBMVHLJYBB-SNVBAGLBSA-N 367.232 3.839 0 40 FHAB COc1ccc(-n2c(C)nc3c(cnn3-c3cc(C)ccc3C)c2=O)cc1 6719613 UCTBFUQKFRLDBL-UHFFFAOYSA-N 360.417 3.505 0 40 FHAB Cc1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)cc1Cl 21596195 DJTXAYZKZMCPBD-UHFFFAOYSA-N 362.838 3.546 0 40 FHAB CCN(C(=O)[C@H](C)Nc1cc(NC(C)=O)ccc1OC)C1CCCCC1 7057967 OMJDILOZDBXSNI-AWEZNQCLSA-N 361.486 3.635 0 40 FHAB COc1ccc(OC)c(/C=C/C(=O)OCc2ccc(-n3cccn3)cc2)c1 7254460 HYTYPHPJPMZLMU-IZZDOVSWSA-N 364.401 3.646 0 40 FHAB O=C(c1ccccc1)c1ccc(OC[C@H](O)CNc2ccc(F)cc2)cc1 7636117 KPROWMDTYKWLJO-HXUWFJFHSA-N 365.404 3.909 0 40 FHAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(-c2nccs2)cc1 9337231 IBEMFPMONJIIJJ-PXAZEXFGSA-N 352.415 3.977 0 40 FHAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC2)c1ccco1 9365931 VUKATVVFEUFQJP-FQEVSTJZSA-N 374.440 3.748 0 40 FHAB Cn1c(CCNC(=O)CC2(n3cccc3)CCCCC2)nc2ccccc21 96232577 CGKNEILIMNMLPK-UHFFFAOYSA-N 364.493 3.783 0 40 FHAB Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1C(=O)CC(C)(C)C2 9575731 XNGWVWQZEFSUKC-UHFFFAOYSA-N 355.390 3.767 0 40 FHAB COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(C)c2O)cc1Cl 72301171 SYFZZDPZDMQLNK-UHFFFAOYSA-N 362.234 3.817 0 40 FHAB O=C(Cc1cccc2ccccc12)N1CCC(OC[C@@H]2CCCO2)CC1 79049488 DCVOTBSTTDLXMF-FQEVSTJZSA-N 353.462 3.569 0 40 FHAB CCN(C[C@@H]1CCCO1)c1nc(C)nc2c1cnn2-c1cccc(Cl)c1 95373510 BIKOWNDUYKUPTM-INIZCTEOSA-N 371.872 3.783 0 40 FHAB COc1ccc(C(=O)CNC(=O)c2ccc3ccn(C(C)C)c3c2)cc1 95477400 OWYDLIAPYHSUDZ-UHFFFAOYSA-N 350.418 3.844 0 40 FHAB Cc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)Nc1ccccc1 409382619 VLQRFNQHPYILSB-UHFFFAOYSA-N 372.490 3.858 0 40 FHAB Cc1noc(-c2ccccc2C(=O)Nc2ccc3ncc(Cl)n3c2)n1 95462431 YMZQLRYHGFGBCW-UHFFFAOYSA-N 353.769 3.598 0 40 FHAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)NCc1cccnc1 408573881 PSKPZWOYJIOBPE-PKNBQFBNSA-N 363.442 3.546 0 40 FHAB Cc1cccc(-c2nn(-c3ccccc3)cc2CNc2nnc(C)n2C)c1 95943676 FPTXCSWRSDVMFY-UHFFFAOYSA-N 358.449 3.897 0 40 FHAB CN(C)[C@H](CN[C@H]1CC2(CCCCC2)Oc2ccccc21)c1cnn(C)c1 95973662 LAWVWEDFYSLMIW-VQTJNVASSA-N 368.525 3.839 0 40 FHAB CCCOc1ccccc1OCC(=O)N1CCc2[nH]c3ccccc3c2C1 9901435 HTCIZVXOYDCLSS-UHFFFAOYSA-N 364.445 3.920 0 40 FHAB CSc1ccc(Cl)c(C(=O)N2CCCC[C@H]2C(=O)NC(C)(C)C)c1 89643071 HIEQHQMZIKQHTD-HNNXBMFYSA-N 368.930 3.971 0 40 FHAB CCc1nc(NC(=O)c2cc(O)c(OCc3ccccc3)cn2)sc1C 61717605 TZSHRDLNRWCMSQ-UHFFFAOYSA-N 369.446 3.946 0 40 FHAB Fc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccccc3F)n2)cc1 67898768 IMIBTQNWSMENJT-IBGZPJMESA-N 355.388 3.928 0 40 FHAB biogenic,in-vitro CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 30858269 VHVHXBHHQORLPY-GJZGRUSLSA-N 357.450 3.911 0 40 FHAB CC[C@H](C)NC(=O)c1cc2c(N3CCCCC3)nc(SC)nc2s1 408620931 MWWSESRIPAOLBX-NSHDSACASA-N 364.540 3.932 0 40 FHAB O=C(O)c1ccc(-c2ccc([C@@H]3SCC(O)=Nc4[nH]ncc43)o2)cc1 79486720 KLAYPIQXCVDZCR-OAHLLOKOSA-N 355.375 3.792 0 40 FHAB Cc1ccc(OCC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 31527105 VFQDGRKCFNLMQF-UHFFFAOYSA-N 352.478 3.676 0 40 FHAB CCCOc1ccc(S(=O)(=O)NC2CCCCC2)cc1OCCC 72414214 HAYSFXHYTHHBAE-UHFFFAOYSA-N 355.500 3.875 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 223682665 ZUYSYJAQSLETEJ-IBGZPJMESA-N 366.505 3.708 0 40 FHAB COc1ccc(CCC(=O)NCCCN2CCc3ccccc32)cc1C 223542660 WISZAGAKTFTCLH-UHFFFAOYSA-N 352.478 3.505 0 40 FHAB COc1cccc(OC)c1COC(=O)c1snnc1-c1ccccc1 223833578 RMNATHOLNHXEHO-UHFFFAOYSA-N 356.403 3.579 0 40 FHAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)o1 224590270 MASRMBZFEKVNEB-ROUUACIJSA-N 351.431 3.866 0 40 FHAB CC1(C)CCCC(C)(C)N1C[C@@H](O)COCCOc1ccc(F)cc1 41690236 YNNYDKWLKIMXDU-QGZVFWFLSA-N 353.478 3.625 0 40 FHAB CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(OC)cc2)c1 225464987 BXVBGGDZRMJTDV-CYBMUJFWSA-N 358.463 3.920 0 40 FHAB CC(C)n1c(-c2nccn2CC2(N(C)C)CCOCC2)nc2ccccc21 82135231 RQCQXPAVJJPLJG-UHFFFAOYSA-N 367.497 3.592 0 40 FHAB CCCCC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 40107682 JOVFXTNURQPEHB-CJNGLKHVSA-N 356.869 3.547 0 40 FHAB Cc1noc([C@H]2CCCN([C@@H](C(=O)O)c3cccc(Cl)c3Cl)C2)n1 570730130 PKLNMNVANBMOIC-IINYFYTJSA-N 370.236 3.690 0 40 FHAB Cc1cccc(CN2CCC(C(=O)NCCOc3cccc(C)c3)CC2)c1 224528609 SLKKQCSATUUXCS-UHFFFAOYSA-N 366.505 3.711 0 40 FHAB COc1ccc2c(c1)[C@H](NC(=S)Nc1ncccc1OC)CC(C)(C)O2 225685009 DBDAOZXCOKBMIW-CQSZACIVSA-N 373.478 3.688 0 40 FHAB COc1ccc2c(c1)[C@H](NC(=O)COc1ccccc1F)CC(C)(C)O2 222778007 QLBRDSRKUINUAY-MRXNPFEDSA-N 359.397 3.632 0 40 FHAB Cc1ccc(CN2CC[C@H]3OCCC[C@]3(COCc3ccncc3)C2)o1 96040184 VMXWFGDFSHZRGR-NHCUHLMSSA-N 356.466 3.571 0 40 FHAB O=C(Nc1ccc(F)cc1)N1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1 96238685 ACPOMOUYYHYZJA-FQEVSTJZSA-N 371.387 3.626 0 40 FHAB O=C(Nc1ccccc1)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccco1 96114195 NWFPLVSYMQARTK-PXNSSMCTSA-N 373.364 3.918 0 40 FHAB biogenic O=C(CN1CCCCC1)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257272377 NCELMLPSVYZKQZ-IBGZPJMESA-N 371.456 3.554 0 40 FHAB Cc1nn(C)c(C)c1-c1nccnc1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 257322675 WGYIPNVVTLWGIX-OAHLLOKOSA-N 371.485 3.608 0 40 FHAB CCCC[C@H]1NC(CO)=C(Cl)N1Cc1ccc(Br)cc1 100040942 DYIJKOZDPIUEEU-AWEZNQCLSA-N 359.695 3.771 0 40 FHAB CC(NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21)(C1CC1)C1CC1 620030273 JCOJXXKIKMCEIF-GOSISDBHSA-N 362.473 3.901 0 40 FHAB Fc1ccccc1-n1ccc(CN2CCC(Cc3nccs3)CC2)n1 1644072807 PJXRPUHYODSNRS-UHFFFAOYSA-N 356.470 3.923 0 40 FHAB Cc1ncc(CNC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)o1 628213583 PBCUWUDRBCCQFE-GOSISDBHSA-N 363.889 3.578 0 40 FHAB COc1ccc2c(c1)C(C)(C)C[C@@H]2NC[C@@H]1CCCO[C@H]1c1cc[nH]n1 643927049 TZAHXBZDFIFMKA-PNHOKKKMSA-N 355.482 3.898 0 40 FHAB Cc1ccc2c(c1Br)CN(c1ccc3nnc(C4CC4)n3n1)C2 664615688 VQLIMJQVJKNNRS-UHFFFAOYSA-N 370.254 3.593 0 40 FHAB CO[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccsc1 96097449 FSBLPONWYOJBGO-LBPRGKRZSA-N 366.291 3.721 0 40 FHAB CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(-c2cnc(C)o2)cc1 79810648 OBGUAAAPZGOSEN-QGZVFWFLSA-N 355.438 3.770 0 40 FHAB CN(C)CCN(Cc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 12925377 SDCXUNHXNGMWEB-UHFFFAOYSA-N 355.526 3.729 0 40 FHAB CCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 14710306 BWQGWQVPGBDBJM-UHFFFAOYSA-N 372.490 3.594 0 40 FHAB Cc1cc(C(=O)Nc2nc3c(s2)CN(C)CC3)c2cccc(C)c2n1 19236724 XPRATVCDZWNYRX-UHFFFAOYSA-N 352.463 3.548 0 40 FHAB CCC(=O)N1CCC[C@](Cc2ccc(-c3ccccc3F)cc2)(C(N)=O)C1 19498598 SIPXRMDVIITXLZ-JOCHJYFZSA-N 368.452 3.539 0 40 FHAB CCc1nccn1C[C@H](C)C(=O)N1CCC[C@H](COc2ccccc2C)C1 19523536 GLKFQIIBXVMSSM-OALUTQOASA-N 369.509 3.708 0 40 FHAB CNc1cc(C(=O)N2CCC(COc3ccc(Cl)cc3)CC2)ccn1 19654681 UQOKPLWUEADECY-UHFFFAOYSA-N 359.857 3.708 0 40 FHAB COc1cccc([C@H]2CCCN2C(=O)c2cccc3c(=O)cc(C)[nH]c23)c1 19719149 CCAYUBWEVCOFOL-LJQANCHMSA-N 362.429 3.822 0 40 FHAB CCOC(=O)C1=C(C)Nc2nc(-c3ccccc3)nn2[C@H]1c1ccc(C)o1 1467330 NULSEGXUDXGBMW-KRWDZBQOSA-N 364.405 3.699 0 40 FHAB Cc1nc(N2CCOCC2)sc1C(=S)Nc1ccc(Cl)cc1 3327398 QIMPJIJGKJLUDP-UHFFFAOYSA-N 353.900 3.729 0 40 FHAB CCc1c(C)nc(C2CC2)nc1N1CCN(Cc2ncoc2C(C)C)CC1 1888875872 WCVSUZBYALNRRF-UHFFFAOYSA-N 369.513 3.658 0 40 FHAB c1cc(CN2CCC[C@@H](Cc3cc(-c4ncc[nH]4)ncn3)C2)c2cc[nH]c2c1 1848353192 WFDPVJORIVKFDV-INIZCTEOSA-N 372.476 3.803 0 40 FHAB O=C(N[C@H](c1cccs1)C1CCOCC1)c1cnc2ccccc2n1 1565523189 IPWUHALOWYUBCG-SFHVURJKSA-N 353.447 3.589 0 40 FHAB COC(=O)c1c(C(=O)c2ccc(Br)cc2)n(C)c2ccccc12 1059801 NDPFAKYCPWWOCS-UHFFFAOYSA-N 372.218 3.958 0 40 FHAB COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(C)cc2)cc1 2723167 QZMAPGJQIXJCPQ-UHFFFAOYSA-N 353.447 3.920 0 40 FHAB COc1ccc(Cl)c(C(=O)N2CCC([C@@H]3CCCCN3C)CC2)c1 2055756339 DKSAWXZOCJAJEM-SFHVURJKSA-N 350.890 3.685 0 40 FHAB Cc1nc2ccc(NC(=O)C(C)(C)C)cc2c(=O)n1-c1ccc(F)cc1 23143903 TXNDLXWLJWZDMB-UHFFFAOYSA-N 353.397 3.818 0 40 FHAB CSc1cccc(C(=O)N2Cc3ccccc3[C@H](c3cnn(C)c3)C2)c1 575619465 MGNOJQUMDFANEB-FQEVSTJZSA-N 363.486 3.930 0 40 FHAB CCN(c1ccccc1)c1nc2nonc2nc1Nc1ccc(OC)cc1 2293829 SBDJKWOVGGBTRC-UHFFFAOYSA-N 362.393 3.923 0 40 FHAB C[C@@H](CNc1cc(C(=O)NC2CC2)c2ccccc2n1)N1CCC[C@@H](C)C1 71954269 WUIWBBNAEYYXBX-CVEARBPZSA-N 366.509 3.659 0 40 FHAB Cc1cc(S(=O)(=O)N(C)C)cc(NCc2c(F)cccc2Cl)c1C 40017152 XRZDITIBKURYEI-UHFFFAOYSA-N 370.877 3.958 0 40 FHAB O=C(NC[C@H](O)c1cccc(Cl)c1)Nc1ccc(OC(F)F)cc1 40099281 CSQUBEJAVWWBGX-AWEZNQCLSA-N 356.756 3.797 0 40 FHAB O=C(NCc1ccccc1CO)c1cc(-c2ccncc2)nc2ccccc12 50003644 NFBMVSRGJNFCMC-UHFFFAOYSA-N 369.424 3.719 0 40 FHAB CCOc1c(Br)cc(C(=O)N2CCC(C)CC2)cc1OC 40159441 BZJVKZCDVXMHOM-UHFFFAOYSA-N 356.260 3.729 0 40 FHAB COc1cc(C)c([C@H](C)NC(=O)c2oc3c(c2C)C(=O)CCC3)cc1OC 40134289 ITTCTFFQFQTCMV-ZDUSSCGKSA-N 371.433 3.924 0 40 FHAB CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 40145752 FGHCFCGMBULCTI-DLBZAZTESA-N 360.454 3.817 0 40 FHAB CCN(c1ccc(NC(=O)c2ccccc2S(=O)(=O)CC)cc1)C(C)C 30675470 UJNDEEBBPJJINK-UHFFFAOYSA-N 374.506 3.967 0 40 FHAB COC(=O)c1ccc(NC(=O)N(Cc2ccco2)Cc2ccco2)cc1 20738142 JOXYJDDGLGZUHK-UHFFFAOYSA-N 354.362 3.894 0 40 FHAB CSCC[C@@H](NC(=O)Cc1ccccc1Cl)c1nnc2ccccn12 20734567 LYQPDBOLOIKCAM-OAHLLOKOSA-N 374.897 3.536 0 40 FHAB O=C1C[C@H](C(=O)N2CCC[C@@H]2c2cccs2)CN1c1ccccc1F 32674895 VDIIENDHQKOYOW-XJKSGUPXSA-N 358.438 3.604 0 40 FHAB Cc1ccc(F)cc1NC(=O)CSc1nnc(-c2ccccc2)n1C 3506089 ABCKKQQXXZOQQZ-UHFFFAOYSA-N 356.426 3.660 0 40 FHAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)N(C)CC(=O)Nc2cccc(F)c2)o1 32836626 GXXNPYFLEBYCFA-YTQJUZQYSA-N 356.397 3.652 0 40 FHAB CCOc1cc(CN(CC)C(=O)NCc2ccc(OC)cc2)ccc1O 32916648 OYSYVAPIGXEJQL-UHFFFAOYSA-N 358.438 3.531 0 40 FHAB Cc1nn(C)c(C)c1CC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 10510093 BHMMDLSXEZXWIA-UHFFFAOYSA-N 359.433 3.761 0 40 FHAB COc1cccc(CNC(=S)Nc2cccc(Br)c2)c1 8105483 OWDRILFFJTXZLK-UHFFFAOYSA-N 351.269 3.944 0 40 FHAB CCOc1cc(CNCc2ccccc2)ccc1OCC(=O)NC(C)(C)C 8254437 KONFLNQRUBGROG-UHFFFAOYSA-N 370.493 3.669 0 40 FHAB Cc1cc(I)ccc1NC(=O)[C@H]1C[C@@H]2CC[C@@H]1C2 100461138 GPGAJOBVZNJYON-WZRBSPASSA-N 355.219 3.974 0 40 FHAB CCn1c(=O)c(C)nc2cc(C(=O)Nc3ccc(SC)cc3)ccc21 22068202 KDGOXXGVUCUOMQ-UHFFFAOYSA-N 353.447 3.699 0 40 FHAB CCOc1ccccc1OCC(=O)OCC(=O)c1c(C)[nH]c2ccccc12 23079635 WQOBZCRSYYZBKV-UHFFFAOYSA-N 367.401 3.680 0 40 FHAB CCCCN(CC(F)(F)F)C(=O)C[C@H]1c2ccccc2CCN1C(C)=O 59252566 YSKJDPFHCPKHSH-KRWDZBQOSA-N 370.415 3.713 0 40 FHAB O=C1NC2(CCCCCC2)C(=O)N1Cc1csc(Br)c1 47346916 GHUNMZRLRSBDLT-UHFFFAOYSA-N 357.273 3.655 0 40 FHAB COC(=O)Nc1ccc(NC(=O)N(C)CCOc2ccc(C)cc2)cc1 47584210 LPAOODMLXLAUSB-UHFFFAOYSA-N 357.410 3.716 0 40 FHAB COc1ccc(-c2nnc(S[C@H](C)C(N)=O)n2[C@H]2CCCC[C@H]2C)cc1 105116722 NOULKAYSNPHPQA-IOASZLSFSA-N 374.510 3.671 0 40 FHAB COc1ccc(/C=C/C(=O)N[C@@H]2CCCc3ccccc32)c(OC)c1OC 22534638 CYASLRBELIXKPK-QIXNEVBVSA-N 367.445 3.919 0 40 FHAB Cc1ccnc(NC(=O)c2oc3ccccc3c2CSc2ncn[nH]2)c1 12534197 GRTIWQWQUQMCMY-UHFFFAOYSA-N 365.418 3.799 0 40 FHAB COc1ncccc1NC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 106621687 GPTQFEJQPJPCJQ-UHFFFAOYSA-N 363.204 3.835 0 40 FHAB CCOc1cc(S(=O)(=O)N[C@@H](CC)Cc2ccccc2)ccc1F 27530730 NCWDRBKKYCNNMS-HNNXBMFYSA-N 351.443 3.524 0 40 FHAB C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCCC1=CCCCC1 25183936 DFCDXCUALPXJTC-CQSZACIVSA-N 364.486 3.893 0 40 FHAB CC[C@@H](Sc1nccn1Cc1ccccc1)C(=O)Nc1cc(C)on1 12520101 RQYVBCMOYJNGHE-OAHLLOKOSA-N 356.451 3.737 0 40 FHAB Cc1ccc(NC(=O)COc2cc(C)nc(N3CCC(C)CC3)n2)c(C)c1 44169086 SAAHYZVXSXSICU-UHFFFAOYSA-N 368.481 3.656 0 40 FHAB C[C@H](NC(=O)COC(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1 3224856 PIPIXHUUNOVHRC-LBPRGKRZSA-N 367.323 3.619 0 40 FHAB CCN(Cc1ccccc1)C(=O)COC(=O)c1cc(Cl)nc(Cl)c1 3278012 OWGCFOKPZGMDAI-UHFFFAOYSA-N 367.232 3.594 0 40 FHAB COc1ccccc1/C=C(/C(=O)OCC(=O)NC(C)(C)C)c1ccccc1 3294301 OJGSMYLFTIGVHW-NBVRZTHBSA-N 367.445 3.694 0 40 FHAB CCOc1ccccc1N1C[C@H](C(=O)Oc2ccccc2Cl)CC1=O 69197999 GLVLCKIRPNAPDO-CYBMUJFWSA-N 359.809 3.697 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N(C)c2ccc(C)cc2)c1 58245413 VFIHTMYBFLSUSW-UHFFFAOYSA-N 374.506 3.611 0 40 FHAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cc(-c4ccccc4)n[nH]3)c12 28244533 FOJGIARXSJULHS-UHFFFAOYSA-N 372.432 3.797 0 40 FHAB O=C(NC[C@H]1CCN(c2ccccc2)C1)c1ccc(Br)cc1 27846635 YKSLZXRTKUYKOJ-CQSZACIVSA-N 359.267 3.705 0 40 FHAB Cc1ccccc1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 8776331 SJMCVGOYHGFAJU-UHFFFAOYSA-N 357.460 3.947 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1cnn(-c2ccccc2)c1 10897778 VLPYQNSTWZKPKB-HNNXBMFYSA-N 369.852 3.952 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)/C=C/c1cccc(F)c1 3321957 AVIGSKYOXSPROI-CJTWTEFWSA-N 355.409 3.520 0 40 FHAB O=C(Cc1noc2ccccc12)Nc1ccc(-c2cn3cccnc3n2)cc1 48205918 GAPIWRGFUDAPOI-UHFFFAOYSA-N 369.384 3.719 0 40 FHAB Cc1csc2nc(CN(C)Cc3ccc(C(F)(F)F)cc3)cc(=O)n12 12796148 QGTUENWFRADLSP-UHFFFAOYSA-N 367.396 3.715 0 40 FHAB COc1cc(CN(C)C(=O)c2ccc3c(c2)CCO3)ccc1OC(F)F 36740962 TYCNGDILHNVPOK-UHFFFAOYSA-N 363.360 3.504 0 40 FHAB C[C@H]1CCCN(S(=O)(=O)NCCC(c2ccccc2)c2ccccc2)C1 12933882 GGOSQXACZKCBLE-SFHVURJKSA-N 372.534 3.775 0 40 FHAB CC(=O)N1CCC(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)CC1 12925250 OHKZIVZSGDDYAH-QGZVFWFLSA-N 371.506 3.608 0 40 FHAB O=C(CCn1c(=O)oc2ccccc21)Nc1cc(Cl)cc2cccnc12 13012105 ZYBGGWBUMGATNH-UHFFFAOYSA-N 367.792 3.825 0 40 FHAB Cc1ccc(CNC(=O)[C@H]2N3C(=O)c4ccccc4[C@@H]3SC2(C)C)cc1 4073986 GIVOGTIXRXJOTD-XLIONFOSSA-N 366.486 3.660 0 40 FHAB biogenic CN(C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)C1CCCCC1 8939145 UBBBKUOMNRQELV-UHFFFAOYSA-N 361.463 3.658 0 40 FHAB COC(=O)[C@@H](Cc1ccccc1Cl)c1cc(=O)oc2cc(OC)ccc12 13728558 MYZVMQSIMSKEGO-INIZCTEOSA-N 372.804 3.954 0 40 FHAB Cc1cc(C(=O)O)ccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 14097328 RGHOECFQPQWASI-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB O=C(Nc1nnc(-c2ccccn2)s1)NC1(c2ccc(F)cc2)CCC1 65514871 QDOARIGTLWJMFW-UHFFFAOYSA-N 369.425 3.940 0 40 FHAB Cc1ccc(F)cc1NC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O 5404576 RBDYQTCFIVBFMT-UHFFFAOYSA-N 371.799 3.894 0 40 FHAB CSCC[C@H](NC(=O)c1cccc(Cl)c1)c1nnc2ccccn12 5451922 QOQVJTFBBGZPOW-AWEZNQCLSA-N 360.870 3.607 0 40 FHAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C)s2)n2ncnc2N1 5824863 YUEOWQWBQPQJFC-QGZVFWFLSA-N 366.446 3.680 0 40 FHAB O=C(CSc1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 15579587 RJIIIRLHNJOIKS-QGZVFWFLSA-N 355.459 3.914 0 40 FHAB Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)N3CCCC3)no2)cc1 15859717 FFCNYBQJCPVSRP-GOSISDBHSA-N 365.433 3.810 0 40 FHAB Cc1c(C(=O)O[C@H](C(=O)N(C)C)c2ccccc2)oc2ccc(F)cc12 7541961 YDDISTVJYVHXPQ-SFHVURJKSA-N 355.365 3.867 0 40 FHAB Cc1nc(-c2ccccn2)sc1C(=O)NCCO[C@H]1CCCC[C@@H]1C 84064745 JPGUXACTSLLDDX-BBRMVZONSA-N 359.495 3.839 0 40 FHAB C[C@H]1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)CCO1 9853884 QQJNTFGRGGXMSO-HNNXBMFYSA-N 367.474 3.521 0 40 FHAB COc1ccc(OC)c2c1cc(C(=O)Nc1cc(F)c(F)c(F)c1)n2C 72402332 DOGSXWFAMNAZMY-UHFFFAOYSA-N 364.323 3.865 0 40 FHAB Fc1ccccc1OCCNc1cc2c(cc1Br)OCCO2 95349087 CDYANQFWKPKORD-UHFFFAOYSA-N 368.202 3.850 0 40 FHAB Cc1nnsc1-c1nnc2sc(-c3ccc(Cl)cc3Cl)nn12 95475274 GEAKQZMUMYTNQX-UHFFFAOYSA-N 369.262 3.987 0 40 FHAB COc1ccc2ccn(Cc3ccccc3OCC(F)(F)F)c(=O)c2c1 89467174 VDWVXNXRALUAQJ-UHFFFAOYSA-N 363.335 4.000 0 40 FHAB CCc1cc(=O)n2nc(N[C@H](c3cccc(OC)c3)C(C)(C)C)sc2n1 75105840 NEPJGSNJBNFTRD-MRXNPFEDSA-N 372.494 3.921 0 40 FHAB COC(=O)c1ccccc1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 29081603 QWZLBSKXFDMLNO-UHFFFAOYSA-N 368.364 3.839 0 40 FHAB Cc1ccc(OC[C@H](C)NC(=O)C2(c3ccccc3)CCOCC2)cc1 67087767 CSUUEMLQWZYZSE-SFHVURJKSA-N 353.462 3.627 0 40 FHAB CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cccc(Br)c2)C1 67801128 DTEUBCRJSWJARX-AWEZNQCLSA-N 355.276 3.548 0 40 FHAB COc1ccc2[nH]c(C(=O)N[C@H]3CCc4cc(OC)c(OC)cc43)cc2c1 524734156 DBTZMWOHCZWOIH-KRWDZBQOSA-N 366.417 3.611 0 40 FHAB CC[C@@H](C(=O)Nc1nnc(CCc2ccccc2)s1)n1nc(C)cc1C 36752584 JYFSVBIJAUWQES-INIZCTEOSA-N 369.494 3.726 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 38753107 YYGVCJDBVQJRLY-FUHWJXTLSA-N 371.477 3.971 0 40 FHAB Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)C(C)(C)O)C3)c2)c1 72354145 PBCGKLKWRNWTHG-FQEVSTJZSA-N 366.505 3.766 0 40 FHAB COc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)c(C)c2)cc1OC 30858527 SNAYQPQYLWKUKX-CYBMUJFWSA-N 363.841 3.922 0 40 FHAB Cc1noc([C@H]2CCCN([C@H](C(=O)O)c3ccc(Cl)cc3Cl)C2)n1 563893149 UWEIZRRFKAFCFM-HZMBPMFUSA-N 370.236 3.690 0 40 FHAB CCCCOCc1cc(C(=O)Nc2ccc(C(N)=O)cc2)ccc1OCC 224729162 HVPRGKUYRSLWNS-UHFFFAOYSA-N 370.449 3.753 0 40 FHAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C)c1 224585603 GRLNQMAUXKODRD-RTBURBONSA-N 364.474 3.606 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(Br)nc3)cc2)n1 134243643 JFEMFVOQBFJZGC-UHFFFAOYSA-N 371.238 3.899 0 40 FHAB Cc1cc(C)cc(NC(=S)NCc2ccccc2CN2CCCC2=O)c1 45704334 HWEIKEBOURKSDD-UHFFFAOYSA-N 367.518 3.912 0 40 FHAB O=C(NCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1F 42645721 GGZBHNMSWMOURY-UHFFFAOYSA-N 362.404 3.713 0 40 FHAB CCOC(=O)c1ccccc1N(CC)S(=O)(=O)c1ccc(Cl)cc1 224704758 CNNYDKZZDBGNTL-UHFFFAOYSA-N 367.854 3.732 0 40 FHAB CCCOC1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCCC1 225654670 FRFHNUDEXFGQFJ-UHFFFAOYSA-N 360.498 3.839 0 40 FHAB CCCCOc1ccc(NC(=O)[C@@](C)(CC)OCC)cc1C(=O)OC 225816549 ILABVFPJOKCDJC-LJQANCHMSA-N 351.443 3.796 0 40 FHAB CCOC(=O)c1cccnc1NC[C@@H](c1ccccc1OC)N1CCCC1 48314371 DUOVXFPGFLCTTM-SFHVURJKSA-N 369.465 3.516 0 40 FHAB CCCOc1ncc(NC(=O)C2(c3ccccc3)CCOCC2)cc1C 225872103 OPCCIJLZVVQSCL-UHFFFAOYSA-N 354.450 3.866 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)N2CCC(COCc3ccccc3)CC2)c1 49028920 PYBTUVXNKWIZIP-UHFFFAOYSA-N 373.518 3.921 0 40 FHAB CS(=O)(=O)c1ccc(CN2CC[C@H](c3nc4ccccc4s3)C2)cc1 49168977 WPGJITJJSAPNSD-HNNXBMFYSA-N 372.515 3.689 0 40 FHAB biogenic,in-vitro Cc1ccnc(NC(=O)Cn2cc(-c3cccc(Br)c3)cn2)c1 227164222 HOJAHBUEKYQTRR-UHFFFAOYSA-N 371.238 3.655 0 40 FHAB COc1cccc(CN2CCC3(CC2)CCN(C(=O)c2ccc(C)o2)C3)c1 96046645 QASIOBBVNKVDDD-UHFFFAOYSA-N 368.477 3.725 0 40 FHAB COc1cccc(-c2ccc3ccc(-n4ccc(C(=O)NC5CC5)n4)n3c2)c1 96155444 JAMMKXWOYNLZGS-UHFFFAOYSA-N 372.428 3.693 0 40 FHAB COCCCNC(=O)c1ccc2c(c1)C[C@](C)(Cc1ccccc1F)O2 257236254 HBJBMGXDOMZKMD-NRFANRHFSA-N 357.425 3.528 0 40 FHAB Cc1noc(C)c1-c1cncc([C@@H]2CCCN2C(=O)c2ccc(F)cc2)n1 257278677 ODEOUBVDMNXNOJ-SFHVURJKSA-N 366.396 3.865 0 40 FHAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3C)CC2)on1 257312989 UQOHPKXPRIIPFQ-BASLNEPJSA-N 368.481 3.794 0 40 FHAB Cc1ncc(-c2ncccc2C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)n1C 257327940 XDLNVHDWHAGJMZ-INIZCTEOSA-N 354.498 3.618 0 40 FHAB C[C@@]1(NC(=O)c2ccc(N3CCCCCC3)cc2)CCCC[C@@H]1C(=O)O 1604591358 AFOIROMIGROOOH-WIYYLYMNSA-N 358.482 3.830 0 40 FHAB CC(C)(C(=O)O)[C@H]1CCCN(C(=O)c2ccc(C3CCOCC3)cc2)C1 630157941 PXRULACTTDVVMN-SFHVURJKSA-N 359.466 3.544 0 40 FHAB CC[C@H](NC(=O)N[C@@H]1CCc2ccccc2NC1=O)c1cc(F)ccc1F 654456092 QVXSEKYTDJPUKU-FUHWJXTLSA-N 373.403 3.669 0 40 FHAB CN1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)c2ccccc21 110477598 IJJKBQYJWGGUGN-UHFFFAOYSA-N 352.825 3.622 0 40 FHAB CSCc1cccnc1C(=O)Nc1ccc(O[C@@H]2CC2(F)F)cc1 598398604 KUYZYCSRNYTKEN-CQSZACIVSA-N 350.390 3.983 0 40 FHAB Cc1cc(Br)oc1C(=O)N(Cc1ccco1)C[C@@H]1CCCO1 78698726 URGWONPKJQOMFD-ZDUSSCGKSA-N 368.227 3.765 0 40 FHAB O=C(O)c1cc(Br)ccc1NC(=S)NCc1ccccc1 196524361 DFVVUBHFKAHKKG-UHFFFAOYSA-N 365.252 3.634 0 40 FHAB CCCNC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 5017778 QJQYLPUKZMHSSZ-UHFFFAOYSA-N 355.385 3.781 0 40 FHAB O=C(CCn1c(=O)oc2ccccc21)NC1(c2ccc(F)cc2)CCCC1 12143124 ZWRVXEJMFUNUPJ-UHFFFAOYSA-N 368.408 3.709 0 40 FHAB Cc1ccc(CN2CCc3nc4cc(C(C)(C)C)nn4c(O)c3C2)cc1 12666887 XNGNRGFVCATXOC-UHFFFAOYSA-N 350.466 3.599 0 40 FHAB CCOc1ccc(/C=C/C(=O)Nc2cc(C(=O)O)ccc2C)cc1OC 13170068 ZRZMTXIPEGIZPN-JXMROGBWSA-N 355.390 3.752 0 40 FHAB COc1ccc(-c2cc(NC(=S)Nc3cccc(OC)c3)[nH]n2)cc1 13535340 GJGUPZNNOWTFBJ-UHFFFAOYSA-N 354.435 3.903 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 14004493 AMAPIHMOZRFRPU-HNNXBMFYSA-N 364.401 3.616 0 40 FHAB CCC(=O)N1CCC[C@H]1Cn1c(C(F)(F)F)cc(=O)c2cc(C)ccc21 19498774 BWUMVDLSGPEKFF-ZDUSSCGKSA-N 366.383 3.730 0 40 FHAB COCCc1ncc(CN[C@H]2[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)cn1 19593865 YKSBZZSRYMGFJO-YVNJGZBMSA-N 351.494 3.728 0 40 FHAB O=C(NCC1CCN([C@H]2CCSC2)CC1)C12CC3CC(CC(C3)C1)C2 225569664 DEYVCSYZCNQXBH-TWJKGYNYSA-N 362.583 3.537 0 40 FHAB CSc1ncc(C(=O)Nc2ccc3c(c2)OCCO3)n1-c1ccccc1 6605962 NQMPIITXCUTTQB-UHFFFAOYSA-N 367.430 3.618 0 40 FHAB CCOc1ccc(OC(C)(C)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 10818272 LRWVJXXWFBCPAH-UHFFFAOYSA-N 362.514 3.668 0 40 FHAB COc1ccc(C(=O)NC[C@H](O)c2cc(-c3ccco3)cs2)cc1F 1888962468 IWWWMKFPJCHUMK-AWEZNQCLSA-N 361.394 3.619 0 40 FHAB Cc1nccc(CN2CCC[C@]23CN(c2ccc(F)cc2)C(C)(C)C3)n1 2037988750 HCTXCYAHPZTOCM-NRFANRHFSA-N 354.473 3.948 0 40 FHAB CNC(=O)c1c(NC(=O)c2ccc(Cl)s2)sc2c1CCCC2 4348769 FUQOARYVFPXQHU-UHFFFAOYSA-N 354.884 3.954 0 40 FHAB Cc1cccc(NC(=O)NC[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 9040152 KCJAPXQDBZDIHU-CQSZACIVSA-N 357.841 3.823 0 40 FHAB Cc1ccc(-n2ncc3c(C)nn(Cc4ccccc4F)c(=O)c32)c(C)c1 12228747 NXESVGMVGVMTPB-UHFFFAOYSA-N 362.408 3.695 0 40 FHAB CCOc1ccc([C@@H](CC(=O)O)c2c(O)c3ccccc3oc2=O)cc1 16691537 NKDJTNFKGHVBMN-OAHLLOKOSA-N 354.358 3.504 0 40 FHAB C[C@H](NC(=O)Nn1cnc2ccccc21)c1ccccc1Br 10402733 YGLSQJCBJVNUJI-NSHDSACASA-N 359.227 3.813 0 40 FHAB O=C(Cn1cnc2sccc2c1=O)Nc1ccc2c(c1)Cc1ccccc1-2 20929200 IHBBEBBTCHGYJL-UHFFFAOYSA-N 373.437 3.668 0 40 FHAB CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(Cl)cc1 2503550 DGHPIAOUZGMKHR-HZMBPMFUSA-N 364.854 3.552 0 40 FHAB CC(C)(C)NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 779294 CRGJWMRKVZGCQD-UHFFFAOYSA-N 370.478 3.593 0 40 FHAB COc1ccc2nc3sc(C(=O)NCc4ccco4)c(N)c3cc2c1 917627 CAIISGPAOLPMEQ-UHFFFAOYSA-N 353.403 3.563 0 40 FHAB C[C@@H]1CCc2c(sc(NC(=O)c3cccc(F)c3F)c2C(N)=O)C1 998767 DIBOYMQKLUVMSU-MRVPVSSYSA-N 350.390 3.502 0 40 FHAB CC(=O)N1CCN(c2ncnc3sc4c(c23)CC[C@H](C(C)(C)C)C4)CC1 1377160 CKKIQIJOMMASRK-AWEZNQCLSA-N 372.538 3.511 0 40 FHAB CC(C)=CCCc1cc(-c2cc(CCC=C(C)C)nc(N)n2)nc(N)n1 1588459 BGNBLVPCYUWNHB-UHFFFAOYSA-N 352.486 3.896 0 40 FHAB Cc1cc(-c2ccc(NC(=O)N3CC3)c(C)c2)ccc1NC(=O)N1CC1 1628287 FMDPSTITBZDRNU-UHFFFAOYSA-N 350.422 3.665 0 40 FHAB CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@@H]1c1ccc(C)cc1 2487166 ATDBHRVEDAQHAD-GDBMZVCRSA-N 358.463 3.597 0 40 FHAB CCn1nc(C)c2c(C(=O)OC)cc(-c3cccc(Br)c3)nc21 2732597 BVOBWODTMFOKDL-UHFFFAOYSA-N 374.238 3.976 0 40 FHAB COc1ccc([C@@H](C)NCCCCN2C(=O)c3ccccc3C2=O)cc1F 32836287 WOXSUPMLWNDSMX-CQSZACIVSA-N 370.424 3.561 0 40 FHAB CCC1=NN(C(=O)c2ccccc2Br)[C@](O)(c2ccccc2)C1 4832230 HXIZMHUTDAPXTM-GOSISDBHSA-N 373.250 3.906 0 40 FHAB CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccc(C)cc2C)c1 6680417 GKECLGBRHJTMEP-UHFFFAOYSA-N 366.508 3.648 0 40 FHAB Cc1[nH]c2ccc(C(=O)O[C@H](C(=O)N(C)C)c3ccccc3)cc2c1C 7814913 XYHXRWJNDOVHPW-IBGZPJMESA-N 350.418 3.771 0 40 FHAB COc1ccc(CCN(C)C(=O)c2cc(Cl)c(Cl)n2C)cc1OC 32979046 ZAFQZPSLUFUPEQ-UHFFFAOYSA-N 371.264 3.664 0 40 FHAB COc1cc(CNC(=O)CCSc2ccccc2)cc(OC)c1OC 8361494 MFPUAIJFYRTCFP-UHFFFAOYSA-N 361.463 3.511 0 40 FHAB COc1ccc2[nH]cc(CC(=O)Nc3cccc(NC(=O)C4CC4)c3)c2c1 75906550 JMKZCMDOZRWHIJ-UHFFFAOYSA-N 363.417 3.706 0 40 FHAB O=C(Nc1cccc(I)c1)c1cc(F)ccc1F 22567256 VTQCRTLDDQPRRV-UHFFFAOYSA-N 359.113 3.822 0 40 FHAB CC(C)(C)c1ccccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 9458118 GAEJLEQTAHTECO-QGZVFWFLSA-N 350.462 3.971 0 40 FHAB COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(C)C)cc1OC 9594948 LDICQVYCFDQPQP-UHFFFAOYSA-N 363.435 3.830 0 40 FHAB COc1ccc(CC(=O)NCc2ccc(Cl)c(Cl)c2)cc1OC 995686 PZYWAUIHVBJBRE-UHFFFAOYSA-N 354.233 3.870 0 40 FHAB CC(=O)N1N=C(c2cccc(Br)c2)O[C@H]1c1ccc(C)cc1 1437138 VVZCUDMBALWGJL-KRWDZBQOSA-N 359.223 3.997 0 40 FHAB CCN(CC)C(=O)CN(C)C(=O)c1oc2c(ccc3ccccc32)c1C 52552368 BVEYYQLPGXMXAV-UHFFFAOYSA-N 352.434 3.835 0 40 FHAB CC(C)(NCn1c(=O)oc2cc(Br)ccc21)c1ccccc1 57995757 AYYHCFFATYSVCG-UHFFFAOYSA-N 361.239 3.839 0 40 FHAB COc1cccc(OC)c1C(=O)OCC(=O)Nc1c(C)cccc1C(C)C 3387859 PZNZXENVZHKSDV-UHFFFAOYSA-N 371.433 3.931 0 40 FHAB O[C@@H](COCc1ccc(Cl)cc1)CSc1nnc(-c2ccco2)o1 58316439 JWAVLSQMFKIYKP-ZDUSSCGKSA-N 366.826 3.653 0 40 FHAB COc1cccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(OC)c(O)c2)c1 36359003 SSCXJNUNDQPWBV-OAHLLOKOSA-N 365.389 3.719 0 40 FHAB CCOC(=O)c1nc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)cs1 48251755 ROSDIHVBQNJPSR-CYBMUJFWSA-N 371.462 3.841 0 40 FHAB CCOc1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)cc1OCC 12767566 ZBAGLXXSNJVWOS-UHFFFAOYSA-N 359.422 3.682 0 40 FHAB CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)OC(=O)c1cc2ccccc2[nH]1 3429916 QSZHHNXGGHJIIS-CHWSQXEVSA-N 354.410 3.519 0 40 FHAB O=C1/C(=C\c2ccncc2)N=C(c2ccc(F)cc2)N1c1ccc(O)cc1 408842827 LAZLSYABNCHMEL-CPNJWEJPSA-N 359.360 3.761 0 40 FHAB CCN(CCO)c1ncnc2c1oc1nc(CC(C)C)c3c(c12)CCCC3 13207025 OSCROCGWYAHKRL-UHFFFAOYSA-N 368.481 3.667 0 40 FHAB Cc1ccc(S(=O)(=O)NCCOc2ccc(Cl)cc2Cl)cc1 4110348 KIDXHWRQNCPECG-UHFFFAOYSA-N 360.262 3.659 0 40 FHAB c1ccc(OCc2nn3c(-c4cc(-c5ccccc5)n[nH]4)nnc3s2)cc1 13828283 LKEUHTARBOMQCF-UHFFFAOYSA-N 374.429 3.822 0 40 FHAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(C)c(C)c3)CC2=O)cc1 4385208 MUXALITYAINDMC-MRXNPFEDSA-N 352.434 3.694 0 40 FHAB Cc1cccc(NC(=O)CNC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)c1C 8756281 JXQLFPANUHOZPK-PBHICJAKSA-N 354.450 3.707 0 40 FHAB Cc1cc(C)n(-c2ccc(SCC(=O)Nc3cccc(C)c3C)nn2)n1 14094893 KZXUOVUPCKEGIB-UHFFFAOYSA-N 367.478 3.627 0 40 FHAB CCC(CC)NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 14231694 CVAWCFHAXMSQPR-HZPDHXFCSA-N 360.498 3.773 0 40 FHAB C[C@H]1CCc2nc(NC(=O)c3ccc4c(c3)NC(=O)CS4)sc2C1 6590666 OXNWAZDIRYJZRX-VIFPVBQESA-N 359.476 3.564 0 40 FHAB O=C(CSc1nc(-c2ccccc2)n[nH]1)N1CC[C@H]2CCCC[C@H]2C1 9364415 FGVJIZVWLULNCH-ZBFHGGJFSA-N 356.495 3.603 0 40 FHAB CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)Nc3ccccn3)c12 6662631 FAKGJLFXTZOUBS-UHFFFAOYSA-N 366.417 3.857 0 40 FHAB COc1ccc(C(C)=O)cc1COc1cc(C(C)=O)ccc1NC(C)=O 8881427 DYSDTJJEOHJGQK-UHFFFAOYSA-N 355.390 3.638 0 40 FHAB CC(C)n1c(CNC(=O)c2ccc(SC(F)F)cc2)n[nH]c1=S 66639457 TXVAECHXPOSAFO-UHFFFAOYSA-N 358.439 3.766 0 40 FHAB O=C(NCC1(N2CCCCC2)CCCCC1)c1cnc2ccccc2n1 8855528 WGESGYXLTGTVBP-UHFFFAOYSA-N 352.482 3.548 0 40 FHAB CCC(=O)c1ccc(OCc2nc(-c3ccc(OC)cc3OC)no2)cc1 6988394 MIPIUTYKUGYVJO-UHFFFAOYSA-N 368.389 3.926 0 40 FHAB C[C@H](CCc1ccccc1)NS(=O)(=O)c1cccc(Br)c1 7375075 RNVJWQHMSGDVFI-CYBMUJFWSA-N 368.296 3.749 0 40 FHAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cccc(C)c1 7671546 NHTVTUGUMFOGJL-UHFFFAOYSA-N 369.852 3.937 0 40 FHAB Cc1cccc(N2N=C(C(=O)Nc3nc4ccccc4s3)CCC2=O)c1 9253533 CXAWADIFFWLPCP-UHFFFAOYSA-N 364.430 3.726 0 40 FHAB COc1ccccc1-c1noc(CSc2ncnc3ccccc23)n1 8394843 BIBZZEBUVSCCMQ-UHFFFAOYSA-N 350.403 3.981 0 40 FHAB Cc1nn(-c2ccccc2)c2nc3c(cc12)C(=O)N[C@H](c1cccs1)N3 19897363 YBGJXYKBNXRRNJ-QGZVFWFLSA-N 361.430 3.645 0 40 FHAB Fc1ccc(C2(c3nc(COc4ccccc4)no3)CCOCC2)cc1 71890011 CHALTGSLDGXHFW-UHFFFAOYSA-N 354.381 3.884 0 40 FHAB Cc1cc(C)cc(N2CC[C@H](C(=O)OCc3ncc(C(C)(C)C)o3)C2=O)c1 72282483 NCUSPCNQOGXDIE-INIZCTEOSA-N 370.449 3.685 0 40 FHAB CCN(CC)C(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 408768572 YKZVDMOJQSITAG-OAQYLSRUSA-N 368.502 3.943 0 40 FHAB CC[C@H](O)CCCNC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 72306621 WIDLNUXOFSERRN-AWEZNQCLSA-N 371.437 3.689 0 40 FHAB O=C(O[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1sccc1C1CC1 84392607 LCNOUJJFSZLNCB-MRXNPFEDSA-N 359.422 3.941 0 40 FHAB CCn1cc(C(=O)NCc2ccccc2Cl)c(=O)c2cc(C)ccc21 22234607 NNANITUZSTYDDD-UHFFFAOYSA-N 354.837 3.913 0 40 FHAB C[C@H](NS(=O)(=O)c1c[nH]c2nccc(Cl)c12)c1ccc(Cl)cc1 89904770 WMDVOQLXHAHXEM-VIFPVBQESA-N 370.261 3.909 0 40 FHAB Cc1ccc(NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)c(C)c1 22379195 HNZJEWXYJWPEAN-UHFFFAOYSA-N 374.506 3.633 0 40 FHAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc2c(c1)OCCO2 408628408 SRDZPEYRRWZPKK-FPYGCLRLSA-N 374.849 3.638 0 40 FHAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1nccc2ccccc12 64875290 WAMCIIDDAUGAEA-UHFFFAOYSA-N 354.793 3.992 0 40 FHAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1F)c1ccccc1 36048026 DPGYJOPGTZXDPY-HXUWFJFHSA-N 362.404 3.806 0 40 FHAB Cc1ccccc1NC(=O)c1c(C)oc2ncn(Cc3ccccc3)c(=O)c12 35672656 BBFXLDDUGYCMDV-UHFFFAOYSA-N 373.412 3.907 0 40 FHAB COc1cccc(OC)c1C(=O)Nc1ccc(-n2cc(Cl)cn2)cc1 32609939 TZIWGIBNZPBGQJ-UHFFFAOYSA-N 357.797 3.795 0 40 FHAB COc1cccc(O[C@H](C)C(=O)NCc2ccc(OC(C)C)c(OC)c2)c1 216364771 CFIIWUIFKQYUOT-OAHLLOKOSA-N 373.449 3.575 0 40 FHAB Cc1nc(C)c(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)s1 70637106 XVMMKTDPYKLIGA-UHFFFAOYSA-N 374.853 3.703 0 40 FHAB COc1cc([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCCC2)ccc1O 71283232 ISAZIPSXHWJYHO-AWEZNQCLSA-N 371.437 3.910 0 40 FHAB Cc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3cccc(C)c3C)n2)cc1 219311233 XHJUFSLDDQVTKR-MRXNPFEDSA-N 365.433 3.746 0 40 FHAB CSc1nc(Cl)cc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1 72203065 NPUHTWGKDPUUJU-UHFFFAOYSA-N 372.922 3.688 0 40 FHAB CN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)Nc1ccc2c(c1)OCCCO2 1565519784 HJDSWBMHHQTXSX-AEFFLSMTSA-N 373.497 3.576 0 40 FHAB biogenic C[C@@H]1C[C@@H](C)CN(CCCNC(=O)[C@@H](C)Oc2cccc(Cl)c2)C1 216324843 IQZFMELLLJIXEM-BZUAXINKSA-N 352.906 3.592 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2Cl)cc1 72211536 LDYNVZMSGFMQPX-INIZCTEOSA-N 350.871 3.959 0 40 FHAB CC[C@H](NS(=O)(=O)c1ccc(F)c(C)c1)c1ccc(OC)c(OC)c1 225609103 VCEIPEOZGGTWMJ-INIZCTEOSA-N 367.442 3.581 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(C)c(C)c1 222970318 VUEVQLDEWUQKPX-QGZVFWFLSA-N 370.468 3.538 0 40 FHAB CC(C)(C)OC(=O)NC1CCN(c2nc3ccccc3nc2Cl)CC1 40434370 MEECAJRNMIWQFL-UHFFFAOYSA-N 362.861 3.777 0 40 FHAB COc1ccccc1CCCNC(=O)COc1ccc2c(c1)CCCC2 224080930 MCVYXSZNGUKPOW-UHFFFAOYSA-N 353.462 3.702 0 40 FHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCc2ccccc2-n2ccnc2)c1 44901939 TTWOFPAWYKTEST-GOSISDBHSA-N 363.461 3.881 0 40 FHAB O=C(NCCNC(=O)c1ccccc1)Nc1cccc(Cl)c1Cl 43263910 DDKUFCDGIDGLMP-UHFFFAOYSA-N 352.221 3.545 0 40 FHAB COc1ccc(/C=C/C(=O)N(C)Cc2ccc(C)cc2)c(OC)c1OC 44849442 QVLXAUJBELPDGO-ACCUITESSA-N 355.434 3.693 0 40 FHAB COc1ccccc1OC[C@H](C)NC(=O)COc1cccc2c1CCCC2 223315778 PKHYOEFVNMHNNC-INIZCTEOSA-N 369.461 3.537 0 40 FHAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222710325 AMTPBFOEUDIQSY-DOTOQJQBSA-N 355.434 3.801 0 40 FHAB O=C(Nc1cnc2cc(C(F)(F)F)nn2c1)c1c(F)cccc1Cl 225571235 XEGNMQRKUQNRAW-UHFFFAOYSA-N 358.682 3.793 0 40 FHAB C[C@@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)NCCc1ccccc1 227158858 MVIZDAJWKLVFLE-OAHLLOKOSA-N 369.852 3.652 0 40 FHAB COc1ccc(C(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)C)cc1 96278662 FKOANHCTWOQBKK-QGZVFWFLSA-N 351.406 3.872 0 40 FHAB Cc1cc2nc([C@@H]3CCCCN3C(=O)CCc3cccs3)ccn2n1 257232691 GLZPCWLJBVGZFV-KRWDZBQOSA-N 354.479 3.786 0 40 FHAB Cc1noc(C)c1C(=O)N1[C@@H](c2ccccc2)C[C@H]2[C@H]1CCCCN2C 257248328 JDDLOALAAAZYKI-QRVBRYPASA-N 353.466 3.732 0 40 FHAB Cc1cn2ccc(C(=O)Nc3ccc4nc([C@@H]5CCCO5)[nH]c4c3)cc2n1 635441930 RSKOEDBHBHTGQL-KRWDZBQOSA-N 361.405 3.623 0 40 FHAB Cc1cc(Cl)cc2cc(-c3noc([C@@]45C[C@H]6C[C@H](C(=O)N4)[C@H]5C6)n3)oc12 650594364 GIAVJDMBNZRFJX-JDRWKKNUSA-N 369.808 3.816 0 40 FHAB C[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)c1ccc(C(F)F)nc1 657923409 UGIQSDONIOUCNF-WITVHBPWSA-N 371.431 3.827 0 40 FHAB COC1([C@@H](C)NC(=O)c2cc3cc(Br)ccc3[nH]2)CCC1 665662076 XRGZOHMGCBNGDO-SNVBAGLBSA-N 351.244 3.618 0 40 FHAB CCn1c(NCc2cccc(C(N)=O)c2)nc2cc(Br)ccc21 95943687 RVQBCVMNNDULJZ-UHFFFAOYSA-N 373.254 3.530 0 40 FHAB CC(=O)N1CCN(C2CCCCC2)C[C@H](Cc2cccc3cccnc23)C1 1615190262 FCFXANZBYRPQKB-LJQANCHMSA-N 365.521 3.890 0 40 FHAB CCc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)cc1 12111641 SUGOWOSJTSOIOE-UHFFFAOYSA-N 353.809 3.701 0 40 FHAB COC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2)sc2c1CCCC2 14004409 RQPSRJOBWAOEFC-LBPRGKRZSA-N 359.447 3.820 0 40 FHAB Clc1ccccc1CN1CCC[C@@H](c2nnc(-c3cnccn3)o2)C1 19349041 VWKOQWXJHHMFEG-CQSZACIVSA-N 355.829 3.560 0 40 FHAB COc1cc2sc(NC(=O)C[C@@H](C)n3cccn3)nc2cc1Cl 19455544 KNZFOLOHKVWAHH-SECBINFHSA-N 350.831 3.745 0 40 FHAB Cc1cc(C)n(C)c(=O)c1C(=O)Nc1ccc(-n2ccnc2C(C)C)cc1 19572304 LICRCKYGWDYKGC-UHFFFAOYSA-N 364.449 3.564 0 40 FHAB Cc1ccc(C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)cc1N1CCCCC1 19716151 DMBXZVZJCJULQX-MRXNPFEDSA-N 368.525 3.697 0 40 FHAB O=C(Nc1nc2c(s1)CCCC2)N1CCOC[C@H]1c1ccc(F)cc1 519685301 UEJNYGMLBDNHLA-HNNXBMFYSA-N 361.442 3.766 0 40 FHAB O=C([C@H](O)Cc1c(F)cccc1Cl)N1Cc2cccc(Cl)c2C1 585083232 DGYWZBIZLYCTBW-MRXNPFEDSA-N 354.208 3.578 0 40 FHAB Cc1nc(C)c(F)c(OCC2CCN(c3nc4cnccc4s3)CC2)n1 1888901018 HKLBUFQXQLVWHQ-UHFFFAOYSA-N 373.457 3.533 0 40 FHAB O=C(Cc1ccccc1)N1CCN(c2nc3c(Cl)cccc3s2)CC1 5181960 VMXSVTWKIIODOP-UHFFFAOYSA-N 371.893 3.841 0 40 FHAB Cc1ccc(C)c(Cn2cccc(C(=O)Nc3ccccc3F)c2=O)c1 5269991 YBBHMVYGMGHNRN-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB O=C(Cc1cc(-c2ccc(Cl)cc2)on1)NCc1ccc2c(c1)OCO2 12422178 VEYJDPLHLWXSDB-UHFFFAOYSA-N 370.792 3.583 0 40 FHAB O=C(CSc1ncnc2c1[nH]c1ccc(F)cc12)Nc1ccccc1 33172629 WOONMCSTNMRIGT-UHFFFAOYSA-N 352.394 3.981 0 40 FHAB Clc1cccnc1OC[C@@H]1CCCN(c2nc(C3CC3)ns2)C1 2298188691 XIASHLGSLSWJSY-LLVKDONJSA-N 350.875 3.759 0 40 FHAB Fc1ccc(-c2nnc(NCCCN3CCOCC3)c3ccccc23)cc1 2888967 XTEKBAMXDIDBPE-UHFFFAOYSA-N 366.440 3.570 0 40 FHAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)Cc2ccccc2Cl)C1 40017183 NWFCXQJYMXREQE-INIZCTEOSA-N 356.853 3.760 0 40 FHAB Cc1ccccc1OCCN(C)C(=O)c1ccccc1OC[C@H]1CCCO1 40015865 AJAFPUOAVTXZQG-GOSISDBHSA-N 369.461 3.704 0 40 FHAB O=C(Nc1ccc(OC2CCCC2)cc1)N1CCN(Cc2ccco2)CC1 40104973 QUWMNTKTGOLFHI-UHFFFAOYSA-N 369.465 3.951 0 40 FHAB Cn1ccnc1SCC(=O)Nc1cccc(CSc2ccccn2)c1 50234807 RIVLVFPCJBHVED-UHFFFAOYSA-N 370.503 3.838 0 40 FHAB Cc1ccc(C(=O)c2cccc(CN3CCC4(CC3)OCCO4)c2)cc1C 2515238 WFFHGSSFKXSARS-UHFFFAOYSA-N 365.473 3.873 0 40 FHAB COc1cc(C(=O)N[C@@H](C)C2CC2)cc(OC)c1OCc1ccccc1 8327902 WJPSTEYFWQJBLC-AWEZNQCLSA-N 355.434 3.811 0 40 FHAB C[C@@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccco1 8324478 KRSZMDARCYFCNM-OAHLLOKOSA-N 373.412 3.529 0 40 FHAB COc1ccc(CCC(=O)N2CC=C(c3ccccc3)CC2)cc1OC 8389304 ZIDUUGXKXPLPJB-UHFFFAOYSA-N 351.446 3.952 0 40 FHAB Cc1ccc(NCc2nnc(SCC(=O)c3ccccc3)n2C)cc1 917692 WBONVTRBOFUECQ-UHFFFAOYSA-N 352.463 3.711 0 40 FHAB COc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 32817131 CSGGDOBYKAVBQV-UHFFFAOYSA-N 373.474 3.593 0 40 FHAB CCOC(=O)CSc1nnc2c3c(C)c(C)sc3nc(C(C)C)n12 4848134 RFBKAMMMJNIDMY-UHFFFAOYSA-N 364.496 3.734 0 40 FHAB CCc1nc(NCCNC(=O)C(C)(C)C)c2c3c(sc2n1)CCCC3 4848595 FUHXTICABCSPLY-UHFFFAOYSA-N 360.527 3.707 0 40 FHAB O=C(CCN1CCCC1)N1N=C(c2cccs2)C[C@H]1c1cccs1 4942316 IFPJKGLYRZPIDJ-HNNXBMFYSA-N 359.520 3.973 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 6316357 POIRNKWVSZYWSG-UHFFFAOYSA-N 361.341 3.785 0 40 FHAB O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1n[nH]c2ccccc12 6927987 SLQDOUZCVGKLNK-UHFFFAOYSA-N 354.753 3.623 0 40 FHAB CCn1c(SC/C=C/c2ccccc2)nc2cc(S(N)(=O)=O)ccc21 6977157 XGKVSMIQODBHOG-RMKNXTFCSA-N 373.503 3.509 0 40 FHAB O=C(NCc1ccco1)C1(c2cccc(C(F)(F)F)c2)CCOCC1 52916336 XXSTYOMSLVHYNH-UHFFFAOYSA-N 353.340 3.663 0 40 FHAB CCOC(=O)COc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1 626148 DMLQPRHUJADUEG-UHFFFAOYSA-N 354.358 3.836 0 40 FHAB CN1c2ccccc2C(=O)N(Cc2ccco2)[C@H]1c1cn2ccccc2n1 58018167 MWAJMMNGELADPM-FQEVSTJZSA-N 358.401 3.718 0 40 FHAB CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3cccnc3)nc2c1 9064115 FKZIIQBQTTXRRT-UHFFFAOYSA-N 354.435 3.749 0 40 FHAB C[C@H](C(=O)Nc1ccccc1Cl)N1CCN(Cc2ccsc2)CC1 22785803 SUHDZYKGHREGEH-CQSZACIVSA-N 363.914 3.546 0 40 FHAB C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CC=C(c2ccccc2)CC1 42292742 KPFLRXURBWIWON-LAUBAEHRSA-N 362.473 3.804 0 40 FHAB O=C(NCCNc1ncccc1C(F)(F)F)Nc1ccc(F)cc1F 47334095 OQRDZFKKTYDVCZ-UHFFFAOYSA-N 360.286 3.612 0 40 FHAB C[C@H](NC(=O)c1ccc(-n2cc(Br)cn2)cc1)c1cccnc1 47428642 IRYHNROEJVSTFB-LBPRGKRZSA-N 371.238 3.521 0 40 FHAB Cc1ccc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 22533642 HFFGWYAIHTXESH-LBPRGKRZSA-N 366.870 3.511 0 40 FHAB COc1ccc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2cccnc2)c(C)c1C 100148594 QKXHCYCASSYFCZ-NHCUHLMSSA-N 366.505 3.827 0 40 FHAB COc1ccccc1CNC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 20456990 SYHJOSMLLOPLMK-QGZVFWFLSA-N 352.478 3.857 0 40 FHAB CN(C)[C@H](CNC(=O)c1ccc(F)cc1Br)c1ccsc1 25330817 ROOVPDHBACHQKB-CQSZACIVSA-N 371.275 3.682 0 40 FHAB C[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(Cl)cc1 25456985 GLHQWPFWXYEVTC-AWEZNQCLSA-N 356.853 3.953 0 40 FHAB COc1ccc(-c2nc(NC(=O)c3ccccn3)sc2C)cc1OC 61237203 CZQFJAVIBQSVRF-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB C[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(F)cc3)c2C(N)=O)C1 1930507 KRLKDIJMDYIIPD-NKLKJHRZSA-N 358.438 3.763 0 40 FHAB O=C(NCC(=O)OCc1ccc(Cl)c(Cl)c1)NCc1ccccc1 12698169 RTINRBABQSMBGO-UHFFFAOYSA-N 367.232 3.536 0 40 FHAB COc1ccc(-c2cc(-c3nc(-c4ccccc4F)no3)[nH]n2)c(OC)c1 10273132 DJZYPUYUGOJQMS-UHFFFAOYSA-N 366.352 3.950 0 40 FHAB Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3ccccc3F)ccc12 2371040 VYGKFZCWJVTLRV-UHFFFAOYSA-N 356.349 3.755 0 40 FHAB Clc1cccc(-c2nnc3sc(-c4ccc5c(c4)OCO5)nn23)c1 2356991 MBFYWDYFOLMXHA-UHFFFAOYSA-N 356.794 3.902 0 40 FHAB CCOc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1Cl 408585707 IOECKMVTQVHULT-UHFFFAOYSA-N 360.262 3.871 0 40 FHAB CSc1ncc(Cl)c(C(=O)OCc2coc(-c3cccs3)n2)n1 11574356 ZLEVRYHLWDFGHO-UHFFFAOYSA-N 367.839 3.925 0 40 FHAB CC(C)Oc1ccccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 48356144 YHHUABBYIMTDKP-SFHVURJKSA-N 353.466 3.870 0 40 FHAB COc1ccc2cc(COC(=O)[C@@H]3COc4ccccc4O3)ccc2c1 12825662 TXTMIOCFMPHDMX-FQEVSTJZSA-N 350.370 3.732 0 40 FHAB CCOc1ccccc1Nc1nnc(SCC(=O)NC(C)(C)C)s1 3470064 QLTGEGFNRCZGLC-UHFFFAOYSA-N 366.512 3.687 0 40 FHAB CC[C@H](C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 3402234 ZOMVYVFFNIEURG-ZDUSSCGKSA-N 360.527 3.786 0 40 FHAB CC[C@H]1c2ccsc2CCN1C(=O)CNC(=O)c1ccccc1Cl 12925480 HRMFAYVYKRRDMF-HNNXBMFYSA-N 362.882 3.667 0 40 FHAB Cc1nccn1-c1ccc(CNCc2c[nH]nc2-c2ccccc2)cc1F 63549009 LHXRTQCOKDQDGS-UHFFFAOYSA-N 361.424 4.000 0 40 FHAB Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CCC1 63680206 PAYQSAAYSWHTNJ-UHFFFAOYSA-N 352.818 3.947 0 40 FHAB O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc2c(c1)COC2 64389080 KWARLNPVPVMFOW-UHFFFAOYSA-N 371.458 3.685 0 40 FHAB COC(=O)[C@H](CC(C)C)NC(=O)c1c(-c2ccccc2Cl)noc1C 4264859 GYACFRBLULIBQU-AWEZNQCLSA-N 364.829 3.621 0 40 FHAB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)ccc1OCc1ccccc1 409246002 CIZRWNCEZBYPQX-SFQUDFHCSA-N 366.417 3.577 0 40 FHAB NC(=O)c1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)cc1 6290288 RTIDUEAFWSNUCN-UHFFFAOYSA-N 362.385 3.595 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1sc(C)nc1C 6366914 MUYUFASZDRLSCN-SECBINFHSA-N 368.842 3.606 0 40 FHAB CCc1oc2ccccc2c1CN(C)C(=O)c1n[nH]c(=O)c2ccccc12 14085500 JVAWCRYLKGPAGQ-UHFFFAOYSA-N 361.401 3.504 0 40 FHAB CCCc1noc2nc(C3CC3)cc(C(=O)N3C[C@@H](C)OC(C)(C)C3)c12 65611816 KKLMTGGXRZXIRF-GFCCVEGCSA-N 357.454 3.692 0 40 FHAB Cc1ccc(NC(=O)NCCCn2nc(C)c(Br)c2C)cc1 28579423 CDZYBGVLPXOXFU-UHFFFAOYSA-N 365.275 3.783 0 40 FHAB O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(Br)cc1 5550149 KVSGZJYCDGAQQU-UHFFFAOYSA-N 359.223 3.594 0 40 FHAB O=C(C[C@H]1C=CCC1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 14633228 DPXCOJLHFXGAQD-INIZCTEOSA-N 362.495 3.546 0 40 FHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CCCc1c[nH]c2ccccc12 6786905 MNRBKQHNPPBAMQ-UHFFFAOYSA-N 364.445 3.920 0 40 FHAB CC(C)c1n[nH]c(SCC(=O)Nc2ccc(Br)cc2F)n1 5862207 RBAPXPPQNWHMOT-UHFFFAOYSA-N 373.251 3.561 0 40 FHAB O=C(Nc1ccc(-n2cnnn2)cc1)c1sc2cc(F)ccc2c1Cl 15646431 NMEMPXGHJUEUPV-UHFFFAOYSA-N 373.800 3.922 0 40 FHAB CCn1c(SCC(=O)Nc2ncccc2C)nnc1-c1ccc(C)cc1 409164996 QTOBEJJQTQBJIO-UHFFFAOYSA-N 367.478 3.708 0 40 FHAB CCCCOc1ccc(C(=O)OCC(=O)Nc2ccc(N(C)C)cc2)cc1 7748678 YQSXOKRPKBFKRS-UHFFFAOYSA-N 370.449 3.727 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nc(N)c3ccsc3n2)c1C 9157832 WJPKEQFKXYXEQL-SNVBAGLBSA-N 374.491 3.785 0 40 FHAB CCCOc1ccc(S(=O)(=O)n2nnc3ccccc32)c2ccccc12 8132522 AGANPWBWGRWONZ-UHFFFAOYSA-N 367.430 3.610 0 40 FHAB CCn1c(SCC(=O)Nc2ccccc2C)nc2ccsc2c1=O 27818497 ZFSLUHCGFDOLIT-UHFFFAOYSA-N 359.476 3.517 0 40 FHAB C[C@@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1cc(Cl)cc(Cl)c1 9421532 UUAFXTSNRMJBAD-SSDOTTSWSA-N 368.249 3.779 0 40 FHAB COC(=O)c1cccn1C1CCN(Cc2cc(Cl)ccc2OC)CC1 72230335 DOPOSGVFBOALRE-UHFFFAOYSA-N 362.857 3.774 0 40 FHAB COc1cc(CNCCc2ccccc2)cc(Br)c1OC 22074380 XDGGCZLTQUWSIL-UHFFFAOYSA-N 350.256 3.799 0 40 FHAB CCOc1ccc(CC(=O)OCC(=O)Nc2ccccc2C)cc1OCC 72330906 LHHOTRRWTFNDLH-UHFFFAOYSA-N 371.433 3.517 0 40 FHAB CC(C)Cn1ncc(Nc2ccc3nnc(C(F)(F)F)n3n2)c1C(C)C 95452084 SIZDOIVYHCBMTJ-UHFFFAOYSA-N 367.379 3.863 0 40 FHAB CCn1nc(C)c2c(C(=O)Nc3ccc(-n4ccnc4C)cc3)cc(C)nc21 28242578 QRWJLEUFVBTIOP-UHFFFAOYSA-N 374.448 3.814 0 40 FHAB O=C(Nc1ccccc1Oc1ccccc1)c1cnc2ccccn2c1=O 42065814 XUZXQUROVVSLLI-UHFFFAOYSA-N 357.369 3.739 0 40 FHAB Cc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1NC(=O)c1ccccc1 408626724 WDWNJRZWFYNFJW-UHFFFAOYSA-N 372.490 3.668 0 40 FHAB CC(C)Oc1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 409009455 ABZXTUUCFVKDDM-WOJGMQOQSA-N 354.381 3.706 0 40 FHAB CC[C@@H](C)n1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c2ccccc21 409127721 JNTGPBKVBCQDQR-OXFWXOROSA-N 358.419 3.733 0 40 FHAB CC[C@@H](C)c1ccc(OCCn2c(CNC=O)nc3ccccc32)cc1 35145308 UTPRTCPHBASMNX-MRXNPFEDSA-N 351.450 3.875 0 40 FHAB COC(=O)c1ccc(N/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1 36636263 QMJMJQCQSXSSRA-WJDWOHSUSA-N 368.414 3.622 0 40 FHAB Cc1cccc(N2CCN([C@@H](C)C(=O)N[C@@H](C)c3ccccc3)CC2)c1C 34684887 OMYIVZZQDVTDRA-PMACEKPBSA-N 365.521 3.691 0 40 FHAB Cc1ccc(-n2cc(C(=O)Nc3ccccc3Br)nn2)cc1 31729720 DTFRGYPLCJDBCI-UHFFFAOYSA-N 357.211 3.591 0 40 FHAB COc1ccc(/C=C/C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 32763386 BMHFQQDLFXSDCX-MZEUMTGBSA-N 356.491 3.723 0 40 FHAB CCn1cc(C(=O)N(C)Cc2ccccc2)c(=O)c2cc(Cl)ccc21 181824688 RKTWOHBJHZEVQW-UHFFFAOYSA-N 354.837 3.947 0 40 FHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1nc(-c2cccc(C)c2)no1 219598488 ZCTXMWHBUYOFAC-GOSISDBHSA-N 365.433 3.827 0 40 FHAB NC(=O)c1cnccc1N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 562238914 GTHMDKSYSFHFBA-GFCCVEGCSA-N 366.248 3.535 0 40 FHAB C[C@H](CO)NC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 40103611 VXDOQEYYIRLZFV-LLVKDONJSA-N 365.227 3.744 0 40 FHAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc3c(c2)OCCO3)cc1 225400646 LVVJXFCFENDEGX-SFHVURJKSA-N 355.434 3.984 0 40 FHAB Cc1cc(C)cc(OCCNC(=O)c2ccc(Cn3ccnc3C)cc2)c1 224112517 JNZBUWQSLMWHFV-UHFFFAOYSA-N 363.461 3.665 0 40 FHAB Cc1cc2nc(Sc3nnc4n3CCCCC4)c3ccccc3n2n1 40071537 VSJGLVRJEHGXEH-UHFFFAOYSA-N 350.451 3.660 0 40 FHAB COc1ccc(NC(=S)N[C@H](C)COc2ccc(C)cc2)cc1OC 225640323 XOYDBZITWMWODC-CQSZACIVSA-N 360.479 3.766 0 40 FHAB CC1CCN(CCCCNC(=O)Nc2cccc(OC(F)F)c2)CC1 40120495 CZISPTPGYZNMKB-UHFFFAOYSA-N 355.429 3.922 0 40 FHAB CCc1ccc(CC)c(CNC(=O)c2ccc(NS(=O)(=O)CC)cc2)c1 225586064 RIDJOHIKJXYFHE-UHFFFAOYSA-N 374.506 3.503 0 40 FHAB CCOC(=O)c1cc(NC(=O)[C@](C)(CC)OC)ccc1OCC(C)C 225790940 XQDSCCGKBMRZAP-IBGZPJMESA-N 351.443 3.652 0 40 FHAB COC(=O)[C@H]1CC(=O)N(c2cccc(-c3nc4ccccc4s3)c2C)C1 45886837 NNGFQBOZYLFZBY-ZDUSSCGKSA-N 366.442 3.798 0 40 FHAB O=C(CCn1ccc2ccc(Cl)cc21)NCc1ccc(C(=O)O)cc1 40267108 LTGGWCSSHOJFCV-UHFFFAOYSA-N 356.809 3.699 0 40 FHAB Fc1ccc(NC(=S)NCc2nc(-c3cccs3)no2)cc1F 225827219 CAWIVFBUGOKBQZ-UHFFFAOYSA-N 352.391 3.563 0 40 FHAB O=C(COc1ccc2c(c1)CCCC2)NCCSCc1ccccc1 223055841 RVAPYCRXDNNYQW-UHFFFAOYSA-N 355.503 3.994 0 40 FHAB Cc1cc(S(=O)(=O)Nc2cccc(C(=O)O)c2)c(Cl)cc1Cl 95946113 BGHMZRKVIIMHKA-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB O=C(C1CCC1)N1CCO[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257345074 ZZWANABTUDYPGZ-KRWDZBQOSA-N 360.841 3.619 0 40 FHAB Fc1cccc(CN2CCCC[C@@H]2c2nnc(-c3cnccn3)o2)c1F 257338478 YXPBVGKHRQWVEX-OAHLLOKOSA-N 357.364 3.532 0 40 FHAB Cc1nc([C@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)o2)no1 257258468 KUARJSJDBPMFDC-MRXNPFEDSA-N 353.378 3.673 0 40 FHAB O=C(NCC[C@H]1CCCC1(F)F)c1csc(Nc2ccccn2)n1 1644480240 CPQLZZKNNIEWDT-LLVKDONJSA-N 352.410 3.837 0 40 FHAB CCCC(=O)N1CCC[C@H](C(=O)Nc2ccc3nc(CC)sc3c2)C1 649028824 QYKJMJWCFGEJSP-ZDUSSCGKSA-N 359.495 3.836 0 40 FHAB CCc1ccc([C@@H]2CCCN2S(=O)(=O)c2cnc3ccsc3c2)o1 674487463 KFCDCBQDRGESDQ-HNNXBMFYSA-N 362.476 3.978 0 40 FHAB Cc1csc(C(=O)N2CCc3nc(NC(=O)c4ccoc4)sc3C2)c1 90582683 YQIFGCFZCHCWNB-UHFFFAOYSA-N 373.459 3.557 0 40 FHAB CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cc(Cl)ccc2F)C1 50734336 OUJFBWORAKSKHG-OLZOCXBDSA-N 354.853 3.636 0 40 FHAB Cc1c(NC(=O)COC2CCCC2)cccc1-c1nnc2n1CCCCC2 95364808 QHBYRXXJRBRCQA-UHFFFAOYSA-N 368.481 3.878 0 40 FHAB Cc1cc(F)ccc1N1CCC[C@@H](NCc2cn3cccc(F)c3n2)C1 1560338410 XPJXEEQXHBXWRB-MRXNPFEDSA-N 356.420 3.680 0 40 FHAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3c(Cl)cc(Cl)cc32)cc1 5809082 SFGFTBIJLJZYHG-KRWDZBQOSA-N 350.201 3.715 0 40 FHAB O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccc(F)c(Cl)c1 5213957 OHQWSLSHBNYSKN-UHFFFAOYSA-N 364.789 3.655 0 40 FHAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3O)n[nH]2)cc1C 5518390 ORYYFPSEYMFWGS-UHFFFAOYSA-N 354.435 3.525 0 40 FHAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1CC=CCC1 16013183 OCLDVWGVIWDCRE-ZDUSSCGKSA-N 365.271 3.511 0 40 FHAB Cc1cc(C)nc(N2NC3=C(C(=O)C[C@H](C)C3)[C@H]2c2ccc(F)cc2)n1 17073028 CAFJDMDZGJULPZ-NSPYISDASA-N 352.413 3.552 0 40 FHAB O=C(O[C@@H]1CS[C@@H](OC(=O)c2ccccc2)CS1)c1ccccc1 18009182 UTVZEFKAVSYDJH-IYBDPMFKSA-N 360.456 3.833 0 40 FHAB Cc1ccc(-c2nnc(CNC(=O)C3(c4ccccc4F)CC3)o2)s1 19217882 NCBAXWBQUPIGOY-UHFFFAOYSA-N 357.410 3.594 0 40 FHAB CCc1nn2c(N3CCC[C@@H](O)C3)c(C)c(C)nc2c1-c1ccc(F)cc1 19521363 ITLDEHCHGWURMH-QGZVFWFLSA-N 368.456 3.676 0 40 FHAB COc1cccc([C@@H]2CCCN2C(=O)c2cn3cc(Cl)ccc3n2)c1 19716860 ZPAJZVQOAKGGPD-KRWDZBQOSA-N 355.825 3.974 0 40 FHAB CC(C)C(=O)N1CCC(CC(=O)NCC(C)(C)c2cccc(F)c2)CC1 19748730 WVFRRCDOFFPFHN-UHFFFAOYSA-N 362.489 3.504 0 40 FHAB CCOC(=O)Cn1c(=N)n(Cc2ccc(C(C)(C)C)cc2)c2ccccc21 19907295 MSJZUETWEVLZMV-UHFFFAOYSA-N 365.477 3.831 0 40 FHAB CC(=O)NCc1ccc(-c2csc(NC(=O)[C@H]3CC=CCC3)n2)cc1 7735381 LJTRUJWDWSLXCY-INIZCTEOSA-N 355.463 3.741 0 40 FHAB CCCN(CCC)C[C@H](O)COc1ccccc1C(=O)Nc1ccccc1 1804047 WUHHKFJFGLSSEG-IBGZPJMESA-N 370.493 3.801 0 40 FHAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc(C(C)(C)C)cs2)cc1 4496194 GEQAJKJWKLBNJZ-UHFFFAOYSA-N 366.508 3.552 0 40 FHAB CNC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CCCCC2 5055766 KBXUSPDEKUAQOW-UHFFFAOYSA-N 358.463 3.638 0 40 FHAB COc1ccc(-c2cn3c(C(=O)Nc4ccncc4)csc3n2)cc1 11902223 YNGJNQAXJIYLIG-UHFFFAOYSA-N 350.403 3.719 0 40 FHAB CCN1CCc2nc(NC(=O)c3ccc(Br)cc3)sc2C1 12820801 MSXATGPTQQTVJA-UHFFFAOYSA-N 366.284 3.536 0 40 FHAB Cc1nn(C)c2sc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc12 10463769 RGAHUBGBJINFHS-UHFFFAOYSA-N 353.369 3.892 0 40 FHAB Cc1noc2ncc(C(=O)N[C@H](C)c3cccc(Br)c3)cc12 30464379 VPLWUTOFZBAYNY-SECBINFHSA-N 360.211 3.785 0 40 FHAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1cnc(-c2ccccc2)s1 40108596 QLWOFBNMNSUABX-MRXNPFEDSA-N 367.474 3.970 0 40 FHAB CCN(C(=O)[C@@H](C)S(=O)(=O)Cc1cccc(Cl)c1)c1ccccc1 40105971 TWXIQNXPPIXQDO-CQSZACIVSA-N 365.882 3.696 0 40 FHAB C[C@H]1CCC[C@@H](N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)C1 20569780 UNBUUESLNYKJKW-GHTZIAJQSA-N 366.505 3.942 0 40 FHAB Cc1c(C(=O)N[C@H]2CCc3ccccc32)nnn1-c1ccc(Cl)cc1 51318166 RJPSGIKTEGTCSD-KRWDZBQOSA-N 352.825 3.646 0 40 FHAB CC[C@H](C(=O)N1CCC(NC(=O)C2[C@H]3CCCC[C@H]23)CC1)c1ccccc1 101407596 INVBNQIOUQPAFS-UFYCRDLUSA-N 368.521 3.724 0 40 FHAB O=C([C@H]1COc2ccccc21)N1CCC(OCc2ccc(F)cc2)CC1 92076371 OBTGDRNRXLHQMG-IBGZPJMESA-N 355.409 3.510 0 40 FHAB O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN(c2ncccn2)C1 1357870 YVWUIEGYIOMUNA-HXUWFJFHSA-N 372.472 3.599 0 40 FHAB Cc1cccc(C)c1NC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1 11916846 VIIBQKARWVFVTF-UHFFFAOYSA-N 350.374 3.982 0 40 FHAB O=C(COc1ccc2ccccc2c1)Nc1cc2c3c(c1)CC(=O)N3CCC2 4850554 LVZOUCXNXGQYES-UHFFFAOYSA-N 372.424 3.693 0 40 FHAB COc1ccc(NC(=O)/C=C/c2csc(C)n2)cc1N1CCCCC1=O 60411797 VTCMYULAWLADJV-VQHVLOKHSA-N 371.462 3.629 0 40 FHAB CCc1ccccc1NC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 6087730 BRCGIIHTPHTJDB-UHFFFAOYSA-N 367.474 3.538 0 40 FHAB O=C(NCC(=O)N1CCc2ccccc21)c1ccc(-c2ccccc2)cc1 6598388 UFXOSBMNVJTIKB-UHFFFAOYSA-N 356.425 3.673 0 40 FHAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc(F)cc2)CC1=O 7928193 YBVWXGAVKZOLDC-MRXNPFEDSA-N 354.425 3.942 0 40 FHAB CCn1c(SCC(=O)NCC(C)C)nnc1[C@H]1C[C@H]1c1ccc(C)cc1 2793451 YJAOWMCCPAKIKV-IRXDYDNUSA-N 372.538 3.742 0 40 FHAB C[C@H](Cn1cc(Br)cn1)C(=O)Nc1ccc(F)c(Cl)c1 2794604 RMBLYJBABURPOI-MRVPVSSYSA-N 360.614 3.713 0 40 FHAB COc1ccc(NC(=S)NC2C[C@@H]3CC[C@@H](C2)N3Cc2ccco2)cc1 100423658 JXOWKSIRPDGBPA-IRXDYDNUSA-N 371.506 3.770 0 40 FHAB Cc1cc(NC(=O)COc2cccc3c2OC(C)(C)C3)n(C(C)(C)C)n1 32931765 KGQPTXPSIUNRED-UHFFFAOYSA-N 357.454 3.678 0 40 FHAB O=C(CCCc1cccs1)NCc1ccc(OC[C@@H]2CCCO2)cc1 32930231 AZULGHIWWLBLOJ-SFHVURJKSA-N 359.491 3.945 0 40 FHAB Cc1c(C(=O)NCc2cccc(NS(C)(=O)=O)c2)sc2ccccc12 10548760 IQEUNVRBRXOGQJ-UHFFFAOYSA-N 374.487 3.511 0 40 FHAB Nc1nc2c(s1)[C@@H](c1ccc(OCCc3ccccc3)cc1)CC(=O)N2 12376331 CSAOMNSEHFNILS-MRXNPFEDSA-N 365.458 3.821 0 40 FHAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(-n2cnnn2)cc1 53490966 URBIFRMWUYTTAO-UHFFFAOYSA-N 356.389 3.658 0 40 FHAB C[C@@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1ccc(Cl)cc1Cl 23555629 OETGPEIXYKAFIQ-NEPJUHHUSA-N 369.292 3.962 0 40 FHAB CC(C)(C)OC(=O)N(CCCNC(=O)[C@H]1CC=CCC1)Cc1cccnc1 54776063 IYVMLHWNHITNRU-SFHVURJKSA-N 373.497 3.681 0 40 FHAB CCN1CCC(NC(=O)NCCC(c2ccccc2)c2ccccc2)CC1 24637149 LHGDWJLLIZEYIV-UHFFFAOYSA-N 365.521 3.992 0 40 FHAB CCCn1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 12627453 PBTGKJWEVFPHKW-UHFFFAOYSA-N 369.421 3.724 0 40 FHAB COC(=O)CC1(NC(=O)Nc2nc(-c3ccccc3)ns2)CCCCC1 79050734 RXORSLSKWPZAHA-UHFFFAOYSA-N 374.466 3.593 0 40 FHAB Cc1cc2nc(Sc3nnc(-c4ccncc4)n3C)c3ccccc3n2n1 58202746 CKQFSPDYNFHRJX-UHFFFAOYSA-N 373.445 3.533 0 40 FHAB O=C(Nc1ccc(-c2nccs2)cc1)N1CCC[C@H](N2CCCC2)C1 58393822 QDKLHKQGDDFBAS-KRWDZBQOSA-N 356.495 3.902 0 40 FHAB Cc1cc(C)c2c(O)nc(SCC(=O)Nc3cccc(Cl)c3)nc2n1 12790718 YLHYZYQDDBUNSW-UHFFFAOYSA-N 374.853 3.731 0 40 FHAB C[C@H](NC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 2296771 OMHWEEPADSXJDX-INIZCTEOSA-N 364.445 3.720 0 40 FHAB CCN([C@@H](C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cc(C)ccc1C 12780772 DCEINJUJGQVVIW-KRWDZBQOSA-N 374.506 3.650 0 40 FHAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3)o2)cc1 2266089 NOQKQUYJHSPFGT-UHFFFAOYSA-N 355.419 3.688 0 40 FHAB CC[C@@H](C)Nc1nnc(S[C@H](C(=O)NC2CC2)c2ccccc2)s1 10769111 KNWLQSJBVVWZMP-RISCZKNCSA-N 362.524 3.861 0 40 FHAB O=C1CCCN1C[C@@H](NCc1cnc(-c2ccccc2)nc1)c1ccccc1 48366677 WHQATGLMLDLWJM-OAQYLSRUSA-N 372.472 3.597 0 40 FHAB CC1CCN(S(=O)(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)CC1 12866217 BJDOPCNXYRMUIY-NRFANRHFSA-N 370.518 3.611 0 40 FHAB O=C(COc1ccc2ccccc2c1)N1CCO[C@H](c2ccc(F)cc2)C1 29112594 YDLPNAPDIXMAMG-NRFANRHFSA-N 365.404 3.958 0 40 FHAB Cn1c(SC[C@@H]2CCCO2)nc2scc(-c3cccs3)c2c1=O 11598659 VNOOMXITWMQDIX-JTQLQIEISA-N 364.517 3.995 0 40 FHAB Cc1ccc(Cl)cc1NCC(=O)Nc1ccccc1C(=O)NC1CC1 12979291 FPTQRUFQMSWCCI-UHFFFAOYSA-N 357.841 3.591 0 40 FHAB CCOc1ccc(/N=c2\scc(-c3ccc(OC)cc3)n2CCO)cc1 13111113 RCTVJBKMRMPRIM-MRCUWXFGSA-N 370.474 3.849 0 40 FHAB O=C(O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2F)ccc1Cl 13265500 DCYLMAAWRXYFPQ-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB COc1ccccc1CC(=O)N[C@@H](CCSC)c1nc2ccccc2[nH]1 13219116 CXPUINHZLJBUKX-KRWDZBQOSA-N 369.490 3.725 0 40 FHAB O=C(/C=C/c1cc(F)cc2c1OCOC2)Nc1cccc2cccnc12 8881880 RLLFWSLYAHEKSM-VOTSOKGWSA-N 350.349 3.892 0 40 FHAB CC(C)c1ccc(OC[C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1 20806427 WCIVUARKHXXQAB-NRFANRHFSA-N 372.484 3.511 0 40 FHAB Cc1ccc(CN(C)C(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)o1 19316453 REKIBPGUPAVOMP-UHFFFAOYSA-N 369.490 3.961 0 40 FHAB Cc1occc1-c1nnc(SCc2ccc(-n3cccn3)cc2)n1C 14254326 XRKFNQLWIAWXQI-UHFFFAOYSA-N 351.435 3.862 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1nnc(C(C)C)s1 14245035 PTLCOKDFFXBLEN-OAHLLOKOSA-N 356.451 3.564 0 40 FHAB O=C([C@H](Sc1nc(-c2ccccc2)n[nH]1)c1ccccc1)N1CCCC1 5505153 VQESTSZRFWGCGZ-QGZVFWFLSA-N 364.474 3.928 0 40 FHAB COc1cc(C(=O)Oc2ccc3ccc(=O)oc3c2)cc(Cl)c1OC 14665659 MGNAIGSUSLTRCV-UHFFFAOYSA-N 360.749 3.683 0 40 FHAB C[C@H]1C[C@@H](c2ccccc2)n2ncnc2N1C(=O)c1ccccc1Cl 4732682 MAGHZXGXWXWLRK-GUYCJALGSA-N 352.825 3.960 0 40 FHAB Cc1ccc(NC(=O)NC(=O)CN2CCCc3cc(C)ccc32)c(C)c1 7494324 UAUKTHSQSRSJJU-UHFFFAOYSA-N 351.450 3.713 0 40 FHAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)NCCc3ccccc3)o2)cc1 7454705 TVSAUJPOLYFTKE-OAHLLOKOSA-N 367.474 3.885 0 40 FHAB Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCCN1C(=O)C1CCCCC1 96002543 YJVJGDRTXVYICX-OAHLLOKOSA-N 373.419 3.542 0 40 FHAB CCNc1nc(S[C@H](C)C(=O)N2CCCCCC2)nc2ccccc12 16397706 YUSQCMAKAGDGJZ-CQSZACIVSA-N 358.511 3.945 0 40 FHAB O=C(NCc1ccc(C(F)(F)F)cc1)c1cnn(Cc2ccccc2)c1 16301823 ZPWQVGCZCMZPSJ-UHFFFAOYSA-N 359.351 3.880 0 40 FHAB COCCN(Cc1ccccc1)C(=O)Cc1coc2cc(OC)ccc12 7967430 AWUIZVWKELXQRI-UHFFFAOYSA-N 353.418 3.659 0 40 FHAB COc1ccc(C)cc1NC(=O)CSCC(=O)Nc1cccc(C)c1 7971353 FELYVMXIQZWTRB-UHFFFAOYSA-N 358.463 3.622 0 40 FHAB Cc1cc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)c(C)n1C(C)C 16685042 GAYIZKQELHUSQS-CQSZACIVSA-N 354.450 3.820 0 40 FHAB C[C@@H]1C[C@@H](Sc2nnc(-c3cccs3)n2-c2ccccc2)C(=O)O1 8192535 DRLUQTPLXBXKEB-BXUZGUMPSA-N 357.460 3.792 0 40 FHAB Cc1ccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c(O)c1 8378299 MQLXTBCPKRADEF-UHFFFAOYSA-N 361.397 3.949 0 40 FHAB CN(CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)c1ccc2ccccc2c1 8533380 VKAHCCXAKFHSTD-UHFFFAOYSA-N 361.445 3.723 0 40 FHAB Cc1csc(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 8505502 HRWRABIZOUMOEG-UHFFFAOYSA-N 367.927 3.546 0 40 FHAB CCOC(=O)[C@H]1CCCN(C(=O)c2csc(Nc3ccc(C)cc3)n2)C1 9763804 ZZKIRYHZOTUQFT-AWEZNQCLSA-N 373.478 3.610 0 40 FHAB COc1ccc(NC(=O)CSc2ccc(C(F)(F)F)cn2)c(OC)c1 9870121 SCXOEOLCCMFSHZ-UHFFFAOYSA-N 372.368 3.848 0 40 FHAB Cc1cc(C(=O)NCCCN(C)C2CCCCC2)c(C)n1-c1nccs1 97476328 UAPJAJHANZUNAR-UHFFFAOYSA-N 374.554 3.935 0 40 FHAB CCOC(=O)c1cccc(C(=O)c2ccc(CN3CCSCC3)cc2)c1 85651240 BWKADXYKMCGOJN-UHFFFAOYSA-N 369.486 3.643 0 40 FHAB CCOc1ccc(-c2nonc2NC(=O)COc2ccc(C)cc2)cc1C 27741157 VOHAGSIAVRKHQZ-UHFFFAOYSA-N 367.405 3.770 0 40 FHAB N=C1NC(=O)/C(=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)S1 408921463 AWYGRQKTYHTKPO-ZROIWOOFSA-N 358.806 3.698 0 40 FHAB Cc1nc(SCC(=O)N[C@H](C)c2ccc3c(c2)OCO3)n(C2CC2)c1C 32894131 AEBYAIGSBCYREL-GFCCVEGCSA-N 373.478 3.533 0 40 FHAB COc1ccccc1-n1cnc2cc(C(=O)Nc3ccccc3)ccc2c1=O 32106493 SIDLMQMGVIHUJU-UHFFFAOYSA-N 371.396 3.647 0 40 FHAB Cn1nc(-c2ccccc2)c2c(NC(=O)c3cc(C(C)(C)C)on3)[nH]nc21 525679100 HOFOBMBLVNTISN-UHFFFAOYSA-N 364.409 3.501 0 40 FHAB CC(C)C(=O)Nc1ccccc1OCc1cc(=O)n2cc(Cl)ccc2n1 33068215 ICTGPOMUARMGBN-UHFFFAOYSA-N 371.824 3.521 0 40 FHAB Cc1nc(C)c(C(=O)N2CCC[C@H](c3[nH]ncc3-c3ccncc3)C2)s1 72334782 QQZXOVZNTIAARY-HNNXBMFYSA-N 367.478 3.565 0 40 FHAB COc1ccc(C)cc1Nc1nc(C(=O)NCc2ccccn2)cs1 35596807 SAWRNYAZMOMDEC-UHFFFAOYSA-N 354.435 3.529 0 40 FHAB COC(=O)c1c(C)[nH]c(-c2cccs2)c1[C@@H]1C(=O)Nc2ccccc21 36353608 SXNAWXWNGASVHW-OAHLLOKOSA-N 352.415 3.922 0 40 FHAB CC(C)[C@H](NCc1nnc(-c2ccccc2)o1)c1ccc2c(c1)OCCO2 32759530 APQHYYBPNPOUKE-FQEVSTJZSA-N 365.433 3.995 0 40 FHAB O=C(CSc1ccccc1)NCc1nc(-c2ccccc2Cl)no1 78579118 FTHWIWUBINFFDT-UHFFFAOYSA-N 359.838 3.799 0 40 FHAB Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCN(Cc3ccccn3)C2)n1 72345972 JMKFNPRLBRGUFB-INIZCTEOSA-N 363.440 3.640 0 40 FHAB CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(c2nc(C)cc(C)n2)C1 72352409 ZHPABZDYTOPSBC-CQSZACIVSA-N 366.490 3.662 0 40 FHAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c(Cl)c1 191159014 PVRSVYCNFANQFK-CQSZACIVSA-N 372.852 3.810 0 40 FHAB CC(C)(Oc1nn(-c2ccccc2)cc1Cl)C(=O)NCc1ccccc1 227153226 VSZHCLKTWATWKJ-UHFFFAOYSA-N 369.852 4.000 0 40 FHAB COc1ccc([C@H](C)NC(=S)Nc2cccc(N3CCCC3=O)c2)cc1 225466702 IISFUISCLJYACU-AWEZNQCLSA-N 369.490 3.870 0 40 FHAB CCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1C(=O)OC 225807373 QGTNBYKBYZNXHL-JLTOFOAXSA-N 363.454 3.796 0 40 FHAB CCc1ccccc1NC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 136531434 XIBKCVJPYNLAAR-KDURUIRLSA-N 374.440 3.957 0 40 FHAB O=C(NCC[C@@H](O)c1cccc(Cl)c1)c1ccccc1Br 225609360 BYXOHHOBAYIDOH-OAHLLOKOSA-N 368.658 3.956 0 40 FHAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C)c1)c1ccc(OC)c(C)c1 225859688 RWUVTKGSAGHLQB-QGZVFWFLSA-N 363.479 3.750 0 40 FHAB CCc1ccc(CC)c(CNC(=O)c2cccc(N3CCCC3=O)c2)c1 225208133 XYXOLDFJEHHPPJ-UHFFFAOYSA-N 350.462 3.868 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(O[C@@H]2CCOC2)nc1 225708504 IKCDTWQPFBCHIA-CQSZACIVSA-N 352.312 3.520 0 40 FHAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)c1 225280648 BUSRFBBFVDCZSZ-SJORKVTESA-N 369.461 3.842 0 40 FHAB Fc1cnc(OC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nc1 1203888377 ZUEMFCTUMHQWHG-UHFFFAOYSA-N 355.335 3.678 0 40 FHAB COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3cccs3)C2)cc1 95532083 MXIJXINQNBXKCA-MRXNPFEDSA-N 372.446 3.689 0 40 FHAB C[C@H](C(=O)N1CCC(c2nc3ccccc3s2)CC1)c1cncnc1 330276235 MPDCRZCWYONULS-ZDUSSCGKSA-N 352.463 3.596 0 40 FHAB Cc1cc(Nc2cccc(C3CCN(C(=O)c4ccccc4)CC3)n2)[nH]n1 257318203 VMXYIRZVOCSLPH-UHFFFAOYSA-N 361.449 3.877 0 40 FHAB O=C(NCc1ccnc([C@@H]2CCCOC2)n1)c1cc2ccccc2s1 257226703 FLTPDENUPKRCBG-CQSZACIVSA-N 353.447 3.515 0 40 FHAB O=C(NCCc1ccccc1)N1CCC2(CCc3ccccc3O2)CC1 85557824 OYORABKWMSXNQW-UHFFFAOYSA-N 350.462 3.799 0 40 FHAB O=S(=O)(/C=C/c1ccccc1)Nc1cccc(-c2cnc3n2CCC3)c1 86071851 KKEAZIAAJORMHR-ACCUITESSA-N 365.458 3.909 0 40 FHAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@](O)(c3ccoc3)CC[C@]12O 271773235 AEAPORIZZWBIEX-MOEMUNJPSA-N 374.521 3.986 0 40 FHAB CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC1CCC(C2CCCCC2)CC1 1658064273 DOHILROMTWFPFQ-NBDWZHNGSA-N 370.603 3.823 0 40 FHAB O=S(=O)(c1ccc(Br)cc1)N1CC[C@@H](c2cccs2)C1 820284906 USRHCEVSZSGSEJ-LLVKDONJSA-N 372.309 3.689 0 40 FHAB CC(C)=C[C@@H]1[C@@H](C(=O)NCc2ccc(OCC(F)(F)F)nc2)C1(C)C 84671020 BXEZQUIAXZJBKE-HIFRSBDPSA-N 356.388 3.877 0 40 FHAB Fc1ccc(-n2cc(CN3CC(Cc4cccs4)C3)nn2)c(Cl)c1 1308890750 ILABVMHMGASNMO-UHFFFAOYSA-N 362.861 3.796 0 40 FHAB Cc1ccc2c3c([nH]c2c1C)CCN(C(=O)CCn1nc(C)c(C)c1C)C3 12290587 OLIAFZOCRABKHB-UHFFFAOYSA-N 364.493 3.882 0 40 FHAB COCCCNC(=O)/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 13042563 HUKJBXHQXKNELC-DTQAZKPQSA-N 369.852 3.910 0 40 FHAB O=C(Cc1ccccc1F)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1 19348133 MPLUEODVPKNXOS-LJQANCHMSA-N 364.424 3.907 0 40 FHAB C[C@H](CC[C@@]1(C)[C@@H]2C[C@H](O)C=C(C(=O)O)[C@@]2(C)CC[C@H]1C)CC(=O)O 253389949 WKLBQXBQKCRIRS-CKJIIZMISA-N 352.471 3.712 0 40 FHAB biogenic,in-vitro Cc1nc2ccccc2c(=O)n1CC1CCN(Cc2cccc(F)c2)CC1 1888930427 JBTBTWYUPUPTPL-UHFFFAOYSA-N 365.452 3.756 0 40 FHAB COc1cccc(CN2CC[C@H](Oc3ccncc3Br)C2)c1 1848580251 TTXMNXWEUDOEGB-HNNXBMFYSA-N 363.255 3.506 0 40 FHAB O=C(COc1ccccc1)Nc1nnc(-c2ccc(Br)cc2)o1 5169743 ROTUHQZHKOOPTP-UHFFFAOYSA-N 374.194 3.517 0 40 FHAB CCc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3=O)cc2)s1 5329783 YBHSUDGNPWZXPA-UHFFFAOYSA-N 364.492 3.628 0 40 FHAB Clc1ccc2ncnc(NC[C@H](c3ccsc3)N3CCOCC3)c2c1 1775972129 BMYMZRPLUJOXBR-QGZVFWFLSA-N 374.897 3.830 0 40 FHAB Cc1ccc2c(c1)OCC(=O)N2Cc1nc(-c2cccc(Cl)c2)no1 23126086 BJHKQFAKUSMNBG-UHFFFAOYSA-N 355.781 3.624 0 40 FHAB COCCn1/c(=N/C(=O)CCOc2ccccc2)sc2cc(C)ccc21 100872358 FSVIOPXOESEXJF-MRCUWXFGSA-N 370.474 3.554 0 40 FHAB COc1ccccc1[C@@H](O)CNC(=O)Nc1cccc(C(F)(F)F)c1 40096044 UTCFGPLDMFCTFY-AWEZNQCLSA-N 354.328 3.569 0 40 FHAB C[C@H](SCc1ccccc1)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C 40143447 ANSLFBPJQQBUIA-KXBFYZLASA-N 360.498 3.867 0 40 FHAB O=C(O)c1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cc(F)cc(F)c2)cc1 40282948 YDCGJZPFUDQUAS-HNNXBMFYSA-N 369.327 3.972 0 40 FHAB CSc1ccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(O)nn2)cc1 31820116 FWCBCFBAADHAIW-CYBMUJFWSA-N 367.434 3.522 0 40 FHAB O=C1C[C@@H](Nc2cccc(F)c2)C(=O)N1c1ccc(Cl)c(Cl)c1 101277188 SQFSHIQCANIXRT-CQSZACIVSA-N 353.180 3.877 0 40 FHAB O=S(=O)(Nc1ccccc1O)c1ccc(Cl)cc1C(F)(F)F 8132992 KPZNQTLHPMKKSK-UHFFFAOYSA-N 351.733 3.865 0 40 FHAB COc1cccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c1 780444 DQYRTWHPMJAUKI-UHFFFAOYSA-N 372.852 3.840 0 40 FHAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1OC 849043 AKZIKSGDELDGEW-UHFFFAOYSA-N 366.373 3.801 0 40 FHAB Cc1ccc(C)c(C(=O)NC[C@@H](NC(=O)c2cc(C)ccc2C)C2CC2)c1 60336707 FERJOSIDLRWUSI-OAQYLSRUSA-N 364.489 3.859 0 40 FHAB CCC(=O)N(Cc1cc2cc(C)cc(C)c2n2nnnc12)C1CCCCC1 1367226 ODPCGRJEROVQHX-UHFFFAOYSA-N 365.481 3.966 0 40 FHAB CCN1CCc2nc(NC(=O)CCc3nc4ccccc4s3)sc2C1 21295165 TWZQRFZAWCAIMR-UHFFFAOYSA-N 372.519 3.702 0 40 FHAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1c(F)c(F)cc(F)c1F 3422939 WQDBJBIIJMSTQD-UHFFFAOYSA-N 374.721 3.655 0 40 FHAB Cc1nc2ccc(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)cc2nc1C 32841492 WXOCLWHTZULALA-QFIPXVFZSA-N 374.488 3.814 0 40 FHAB O=C(COc1ccc(Br)cc1F)N[C@@H]1CCc2ccccc21 32843537 KEHKYGKXJDCOGK-OAHLLOKOSA-N 364.214 3.771 0 40 FHAB COc1ccc(-c2nc3ccc(Br)cn3c2C=O)cc1OC 4241640 RAEKJPIFSUEFNH-UHFFFAOYSA-N 361.195 3.594 0 40 FHAB Cc1ccccc1C(=O)Nc1ncc2c(n1)C[C@@H](c1ccccc1)CC2=O 4777179 FPCMQDXIRXFBQC-MRXNPFEDSA-N 357.413 3.950 0 40 FHAB CCCNC(=O)CSc1nc(Cc2ccccc2)nc2ccccc12 4936413 DAVHOPMBVUOTDT-UHFFFAOYSA-N 351.475 3.839 0 40 FHAB CCCCOC(=O)CN1C(=O)S/C(=C\c2c(F)cccc2Cl)C1=O 6650093 XDQZJDALFXBIRU-JYRVWZFOSA-N 371.817 3.859 0 40 FHAB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCC2)Nc1ccc(F)cc1 6883281 LKCCKACWKJFCIJ-UHFFFAOYSA-N 371.359 3.854 0 40 FHAB COC(=O)CCSc1nc2ccccc2c(=O)n1-c1cccc(C)c1C 7138684 UXSQDAVDPQIYOC-UHFFFAOYSA-N 368.458 3.658 0 40 FHAB CC(=O)Nc1ccc2c(COC(=O)C[C@H]3C[C@@H]4CC[C@@H]3C4)cc(=O)oc2c1 103100334 XLYVLUBSJMDEFQ-RBSFLKMASA-N 369.417 3.621 0 40 FHAB CC(C)c1ccc(C(=O)CSc2n[nH]c(=O)n2Cc2ccccc2)cc1 8236167 FPVHVTSDLAYDBM-UHFFFAOYSA-N 367.474 3.718 0 40 FHAB CC[C@@H]1CCc2c(sc3ncn4nc(-c5ccn(CC)n5)nc4c23)C1 2803885 JWEDJDKIPWCYMD-LLVKDONJSA-N 352.467 3.737 0 40 FHAB COc1ccc(Cl)cc1NC(=O)c1ccc(CN2CCCC2=O)cc1 22865102 GPCWSENBIWAHLP-UHFFFAOYSA-N 358.825 3.723 0 40 FHAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)C1(C)C 22839540 UXHFNHUFXPLGCV-CRAIPNDOSA-N 355.482 3.563 0 40 FHAB O=C1c2cccc3cccc(c23)N1CN1CCN(Cc2ccccc2)CC1 23257433 XBCGTNXIHNHHRY-UHFFFAOYSA-N 357.457 3.575 0 40 FHAB CCOc1ccccc1NC1=C(Cl)C(=O)N(CCc2ccccc2)C1=O 955263 GJXJQCPOCMACBG-UHFFFAOYSA-N 370.836 3.559 0 40 FHAB COc1ccc(C(=O)[C@H](C)OC(=O)CCc2ccc3ccccc3n2)cc1 24194260 IBQQDMMJBLGDJX-HNNXBMFYSA-N 363.413 3.991 0 40 FHAB Cc1nn(C)c2ncc(NC(=O)CO[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)cc12 105629908 JDWDKAMTUXPBIU-QANKJYHBSA-N 358.486 3.693 0 40 FHAB COc1ccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)c(OC)c1OC 24830838 DVSWUAKUDZQTAV-SNVBAGLBSA-N 362.451 3.546 0 40 FHAB O=C(NC[C@H]1COc2ccccc2C1)c1cc(-c2ccccc2Cl)[nH]n1 25071894 CGIWRJGOCCDNPJ-ZDUSSCGKSA-N 367.836 3.711 0 40 FHAB C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 25493492 LZICYVDUXKNANR-KUHUBIRLSA-N 370.424 3.776 0 40 FHAB COc1ccc(C)cc1CN(C)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 57547653 COLLDKCKVMOWGU-FQEVSTJZSA-N 356.441 3.594 0 40 FHAB O=C(CCN1c2ccccc2Sc2ccccc21)O[C@@H]1CCOC1=O 3249196 OOPKHFPTZLNXBQ-OAHLLOKOSA-N 355.415 3.538 0 40 FHAB CCC[C@H]1CCCN(C(=O)c2nc(N3CCCC3)ncc2Cl)CC1 58177895 VDXBIAFIKOUQAI-AWEZNQCLSA-N 350.894 3.773 0 40 FHAB C[C@@H](Sc1nnc(N2CCOCC2)n1C1CC1)c1ccc(F)cc1F 58168569 LWTVWZMRKOBWQX-LLVKDONJSA-N 366.437 3.581 0 40 FHAB COCc1ccccc1CNC(=O)[C@H](C(C)C)N1CCc2ccccc2C1 58129703 JQEOOLUBCOJLJK-QFIPXVFZSA-N 366.505 3.532 0 40 FHAB CCCCCOc1cc(S(=O)(=O)NCc2cccnc2)ccc1Cl 27824352 SXJUVHUFNHWHKQ-UHFFFAOYSA-N 368.886 3.783 0 40 FHAB O=C(Nc1ccc(-c2nccs2)cc1)N1CCC[C@@H](N2CCCC2)C1 58393823 QDKLHKQGDDFBAS-QGZVFWFLSA-N 356.495 3.902 0 40 FHAB Cc1c(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)oc2ccccc12 28287955 WHQDPMVCYPDRCB-INIZCTEOSA-N 370.474 3.606 0 40 FHAB Cc1cc(SCC(=O)NC(=O)NCc2ccco2)nc2c(C)cccc12 3381884 RPDBDTFVNNJRRO-UHFFFAOYSA-N 369.446 3.563 0 40 FHAB Nn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccccn1 2427873 WPOJKDWKEMRRLK-UHFFFAOYSA-N 352.250 3.653 0 40 FHAB CN(C)[C@@H](CNC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1Cl 29051724 ZRRGMLOSUPIFAA-SFHVURJKSA-N 359.832 3.993 0 40 FHAB CC[C@@H]1CCCCN1C(=O)CN1CCC[C@@H]1c1cc(OC)ccc1OC 48287056 ZGNHXDCCDSCPFJ-VQIMIIECSA-N 360.498 3.632 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)N[C@@H](C)c1ccc(F)c(F)c1 48325019 JMVRNAQVXPASBZ-JTQLQIEISA-N 363.364 3.815 0 40 FHAB O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN1C(=O)c1ccccc1 12855328 QMYDRZFJUMISJZ-INIZCTEOSA-N 373.250 3.692 0 40 FHAB CCOc1ccc(CCNC(=O)CSc2ccccc2)cc1OCC 12804740 ILLCMLJFAISWEY-UHFFFAOYSA-N 359.491 3.935 0 40 FHAB Cc1ccc(C(=O)[C@@H](C)Sc2nnnn2-c2ccc(Cl)cc2)cc1 3493086 ZPRSOMVEWOWDKS-GFCCVEGCSA-N 358.854 3.988 0 40 FHAB COc1cccc(-n2c(SC[C@@H]3CCCO3)nc3ccccc3c2=O)c1 3444415 LJDNMOYDNYFJTA-INIZCTEOSA-N 368.458 3.665 0 40 FHAB CCOc1ccc(C2=N/C(=C/c3cccc(F)c3)C(=O)O2)cc1OCC 3571549 HFGHFMIIMYXXEG-LFIBNONCSA-N 355.365 3.968 0 40 FHAB CC[C@@H](NC(=O)CN(C)Cc1ccco1)c1ccc(Br)cc1 12919917 MXGPEZDBYWUSJT-MRXNPFEDSA-N 365.271 3.741 0 40 FHAB COc1cccc(-c2nc(NC[C@H]3CCCO3)c3ccccc3n2)c1O 13127744 SOUNIKZJXQFRPH-CYBMUJFWSA-N 351.406 3.602 0 40 FHAB COc1ccc2nc(S[C@@H](C)C(=O)N(C)Cc3ccccc3)[nH]c2c1 4252412 VUXWLXBKSSGMMX-ZDUSSCGKSA-N 355.463 3.711 0 40 FHAB CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 39501928 YGWXZHAHVFOMKW-MRXNPFEDSA-N 353.418 3.817 0 40 FHAB CCOC(=O)Nc1cccc(C(=O)OCc2noc(-c3ccsc3)n2)c1 39559227 QFBACIXUGGFLTQ-UHFFFAOYSA-N 373.390 3.724 0 40 FHAB COc1ccc(-c2noc(Cc3nnc(-c4cccc(C)c4)o3)n2)cc1F 65185525 HAZLLVYQDSRIFL-UHFFFAOYSA-N 366.352 3.834 0 40 FHAB O=C(CN[C@H]1CCCc2ccccc21)Nc1ccc2c(c1)OC(F)(F)O2 6476200 WVLIKYMRAWIJMG-HNNXBMFYSA-N 360.360 3.614 0 40 FHAB C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)N1CCc2ccccc21 6462852 PEGCBYNNVAQQCV-LLVKDONJSA-N 357.460 3.868 0 40 FHAB CC(C)C[C@@H](NC(=O)c1ccc2c(=O)[nH]c(S)nc2c1)c1ccccc1 65626931 XJZPWIMXOMXHBO-MRXNPFEDSA-N 367.474 3.729 0 40 FHAB C[C@H](SCc1ccccc1)C(=O)NCc1nc(-c2cccs2)no1 65778959 PRDMFLNTXWZBJB-LBPRGKRZSA-N 359.476 3.736 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)CCCNC(=O)NC1CCCCC1 14899093 PHUYPOPALKIOCP-KRWDZBQOSA-N 359.514 3.536 0 40 FHAB O=C(c1cc2ccccc2o1)N1CCN(Cc2cccc3cccnc23)CC1 14900579 KMPDWYNXHWDIRW-UHFFFAOYSA-N 371.440 3.939 0 40 FHAB CN(C)C(=O)[C@H](OC(=O)c1c(Cl)cccc1Cl)c1ccccc1 6841669 BEOYBWITMYNZLA-OAHLLOKOSA-N 352.217 3.980 0 40 FHAB O=C(CCc1nc2ccccc2s1)Nc1cccc(N2CCCC2=O)c1 6987695 OVJOFWRSFIBEHH-UHFFFAOYSA-N 365.458 3.994 0 40 FHAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C)c(C)n1CC(F)(F)F 7061014 PMSVDBFYGORBGM-UHFFFAOYSA-N 372.416 3.648 0 40 FHAB O=c1cc(CSCCOc2ccccc2F)nc2ccc(Cl)cn12 8993855 VVXPNDNKULWDTN-UHFFFAOYSA-N 364.829 3.799 0 40 FHAB CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1cccc(OC)c1 9184832 BLTUFMHOOWGRQT-UHFFFAOYSA-N 364.445 3.898 0 40 FHAB CSc1ncc(C(=O)N[C@H](C)c2ccccn2)n1-c1ccc(F)cc1 7979458 VUFFHKWXLWMNPF-GFCCVEGCSA-N 356.426 3.619 0 40 FHAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cc(Cl)ccn1 7989255 VHWFPNSSEYUDBH-UHFFFAOYSA-N 373.821 3.882 0 40 FHAB O=C(C1=Cc2ccccc2OC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8156165 UJLNSHMWGIWOEH-SFHVURJKSA-N 363.413 3.597 0 40 FHAB CCN(CC)c1ccc(NC(=O)c2ccccc2S(=O)(=O)CC)cc1 19677062 MFDCAMUUHBIDFY-UHFFFAOYSA-N 360.479 3.579 0 40 FHAB CC(C)(C)C(=O)Nc1cc(Br)c(O)c(Br)c1 9426127 FSSMIVJFQWIZLY-UHFFFAOYSA-N 351.038 3.902 0 40 FHAB COc1ccccc1C(=O)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 23140298 IVHGNNXTSVRVLK-CYBMUJFWSA-N 369.446 3.827 0 40 FHAB COc1cccc(-n2cnc3c2[C@@H](c2cccnc2)SCC(O)=N3)c1 95473051 ZXCMAPVBVOEEAU-QGZVFWFLSA-N 352.419 3.700 0 40 FHAB O=C(/C=C/c1csc(-c2ccc(F)cc2)n1)N1CCC[C@@H]2COCC[C@H]21 95410799 RJVRLQFJZYVXOX-FKUVRRMFSA-N 372.465 3.990 0 40 FHAB Cc1ccc(C(F)(F)F)cc1NC(=O)N(C)Cc1ccnc(N(C)C)n1 95460977 JVQMTEJQNOYPOY-UHFFFAOYSA-N 367.375 3.534 0 40 FHAB CCO[C@@H]1C[C@H](NC(=O)CCc2nc3ccccc3[nH]2)C12CCCCC2 175845096 FYSSJRUBEWSNIK-ZWKOTPCHSA-N 355.482 3.740 0 40 FHAB Cc1nn(C(C)(C)C)c(C)c1C(=O)NC[C@H](c1ccccc1)C(C)(C)CO 89505551 IAOOCXRBTAXENK-GOSISDBHSA-N 371.525 3.787 0 40 FHAB CCOc1ccc(CCNC(=O)c2cc(-c3ccco3)on2)cc1OCC 25462643 RIZVMPCQRLVAAP-UHFFFAOYSA-N 370.405 3.705 0 40 FHAB CC(C)NC(=O)c1ccc(NCc2nc3ccc(Cl)cc3n2C)cc1 508675692 JLHZBKYHASDQKC-UHFFFAOYSA-N 356.857 3.977 0 40 FHAB C[C@H](NC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1cccc2ccccc12 512535391 GIMDGYZYYLNYNT-HNNXBMFYSA-N 372.424 3.984 0 40 FHAB O=Cc1ccc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 408599504 IBBFGONLLPLPHE-UHFFFAOYSA-N 359.381 3.748 0 40 FHAB O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1cccc(-c2nc[nH]n2)c1 524734977 WQAHVSWREYWWOI-KRWDZBQOSA-N 363.446 3.953 0 40 FHAB O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(F)c(F)c1 31983515 JBBMYSCFSUHRCY-UHFFFAOYSA-N 365.401 3.933 0 40 FHAB Cc1nc2c(c(Nc3nccs3)n1)CN(CCc1ccccc1)CC2 72380814 IJWVVKZTEPZBCE-UHFFFAOYSA-N 351.479 3.586 0 40 FHAB O[C@@H](COc1ccccc1-n1ccnc1)CO[C@H]1CCCc2ccccc21 550175321 XNZKNZKQDAGDIZ-NQIIRXRSSA-N 364.445 3.706 0 40 FHAB O=C(c1ccc(CNC(=O)C(F)(F)c2ccccc2)cc1)N1CCCCC1 40115020 MQTCINODRVMEFP-UHFFFAOYSA-N 372.415 3.721 0 40 FHAB COc1cccc(O[C@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1 224429097 RCRBLNPYICOENN-MRXNPFEDSA-N 371.477 3.955 0 40 FHAB Cc1ccc(OCCNS(=O)(=O)Cc2cccc(Cl)c2)cc1Cl 224151777 ZHEZCHPFRGGZQZ-UHFFFAOYSA-N 374.289 3.800 0 40 FHAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1 224624806 PQQOSCIQKQSKSM-OAQYLSRUSA-N 366.505 3.524 0 40 FHAB CCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(OC)c(OC)c1 49006245 BGTCGIDGQYNVSH-UHFFFAOYSA-N 357.435 3.766 0 40 FHAB C[C@@H]1Cc2cccc3c(=O)c(C(=O)Nc4ccc5sncc5c4)cn1c23 225861588 MXFWKQPZJXGAPV-LLVKDONJSA-N 361.426 3.981 0 40 FHAB Cn1cc(/C=C/C(=O)N2CCc3sccc3[C@H]2c2cccs2)cn1 48237873 QQGRWVZNORHMSR-WRFKIARRSA-N 355.488 3.731 0 40 FHAB C[C@@H]1CCCN(Cc2ccccc2CNC(=O)c2cccnc2S)C1 40112278 YXNZZADBJCODRF-OAHLLOKOSA-N 355.507 3.532 0 40 FHAB Cc1nc(C(=O)N2CCC[C@@H](Cc3nc(-c4ccsc4)no3)C2)cs1 220893924 QHTRHRLSSMBREP-LBPRGKRZSA-N 374.491 3.658 0 40 FHAB CC(C)(C)CC(C)(C)NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 224396334 CFMOLCJNMNMEFO-UHFFFAOYSA-N 360.907 3.656 0 40 FHAB CN(Cc1cc(Br)cs1)C(=O)c1ccc2c(c1)OCO2 48069430 GUUGFYPHKWXQST-UHFFFAOYSA-N 354.225 3.512 0 40 FHAB C[C@@H]1CN(c2ccc(Nc3ncncc3-c3ccccc3)cn2)C[C@@H](C)O1 530481193 QARUICZAHQDKSL-HZPDHXFCSA-N 361.449 3.896 0 40 FHAB CC(=O)N[C@H]1[C@H](c2ccccc2)N(Cc2ccccc2Cl)CC[C@@]1(C)O 514290028 RFFGMQKPXKWZIM-PCCBWWKXSA-N 372.896 3.543 0 40 FHAB biogenic,in-vitro CC(C)NC(=O)C[C@@H]1CC2(CCN(C(=O)C3CCC3)CC2)c2ccccc21 96241959 SCHQRUVDMYFGSY-GOSISDBHSA-N 368.521 3.749 0 40 FHAB CNC(=O)C[C@@H]1CC2(CCN(C(=O)C3CCCCC3)CC2)c2ccccc21 96079439 VCRNMCRRNICNOB-GOSISDBHSA-N 368.521 3.751 0 40 FHAB Cc1ccc(CN2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)o1 96040234 CVVMBBBQWHFGPD-NHCUHLMSSA-N 356.466 3.571 0 40 FHAB Cc1cccnc1C(=O)N1C[C@H]2[C@@H](Oc3ccc(Cl)cc3)CC[C@H]2C1 257295820 RAAPZLSJOVXFJE-QGTPRVQTSA-N 356.853 3.973 0 40 FHAB Cc1ccc(N2CCC(N(CCc3ccccc3)CC(=O)O)CC2)cc1 257251766 JSCOKHYEJCOWGR-UHFFFAOYSA-N 352.478 3.593 0 40 FHAB CNc1nc([C@H]2CCCN2C(=O)c2cnc3ccccc3c2)cn2cccc12 257290173 QBWLTFGPZSHKFG-LJQANCHMSA-N 371.444 3.902 0 40 FHAB CC(C)(C(=O)N1CCCc2n[nH]cc2C1)c1ccc(Cl)c(Cl)c1 1118511752 UWHSJUBENQHCNH-UHFFFAOYSA-N 352.265 3.969 0 40 FHAB Cc1cccc2c1OCC[C@H]2NC(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1 661066100 QJRGAPWLLSFXAX-CMKODMSKSA-N 366.461 3.691 0 40 FHAB COC(=O)c1ccc(C(=O)NCc2nc(C3CCCCC3)cs2)cc1 390829327 DQAJYGCAONPNME-UHFFFAOYSA-N 358.463 3.907 0 40 FHAB COc1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c1 3212034 QFLMGCJHZWWAEW-RGEXLXHISA-N 362.385 3.698 0 40 FHAB Cc1cc(Cl)ccc1OCCCC(=O)N[C@@H](C)c1nnc2ccccn12 5451745 HIBPFSPGMKHXSO-AWEZNQCLSA-N 372.856 3.728 0 40 FHAB Cc1cc(NC(=O)CSCc2ccc(F)cc2Br)no1 12669981 OGFZESOHIVRMBN-UHFFFAOYSA-N 359.220 3.757 0 40 FHAB CCN(CC)c1nc(-c2cccnc2)nc2c1CCN(Cc1ccccc1)C2 19526483 RQTIWBUBYVJMAW-UHFFFAOYSA-N 373.504 3.943 0 40 FHAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 19886511 XKIXBCVCXLFZHZ-UHFFFAOYSA-N 372.368 3.719 0 40 FHAB Cc1cccc(C(=O)N[C@H](C(=O)NCc2ccccc2Cl)C(C)C)c1 2660846 BCXFMJFYIWWKHT-SFHVURJKSA-N 358.869 3.719 0 40 FHAB O=C(COc1ccc(Cl)c2ccccc12)Nn1cnc2ccccc21 27040668 CNIYOVXKDGBXBB-UHFFFAOYSA-N 351.793 3.992 0 40 FHAB C[C@H](C(=O)OCCCCCC(=O)O)c1ccc(C[C@@H]2CCCC2=O)cc1 2061000693 LYITVTONQYWYCP-YJBOKZPZSA-N 360.450 3.890 0 40 FHAB O=c1c2cc(Cl)ccc2nc2sc(Nc3cc(F)ccc3F)nn12 17149750 AKKJWYUMBNGALK-UHFFFAOYSA-N 364.764 3.979 0 40 FHAB O=C(CSc1ccc(F)cc1)NCC1(c2ccccc2)CCOCC1 38940022 HBWSABGBANAWFZ-UHFFFAOYSA-N 359.466 3.782 0 40 FHAB O=C(c1ccc(Br)cc1)N1CCC[C@@H](Oc2ccncc2)C1 575606290 NOZFERYAEXEXFN-MRXNPFEDSA-N 361.239 3.528 0 40 FHAB CC(=O)N(c1nnc(S[C@H](C)C(=O)c2ccc(F)cc2)s1)C1CC1 25772176 CHFUTZKUGUHGCO-SECBINFHSA-N 365.455 3.556 0 40 FHAB Cc1cc([C@H](C)NC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)c(C)s1 40074246 RWFBGZYIKOVVCX-MGPUTAFESA-N 372.534 3.926 0 40 FHAB Cc1cc(C)c2cc(C(=O)NCc3ccc(-n4cccn4)nc3)[nH]c2c1C 40042879 INCUDDWDGIIHTE-UHFFFAOYSA-N 359.433 3.604 0 40 FHAB O=C(CSc1cccc[n+]1[O-])NCc1ccc(-c2ccc(Cl)cc2)o1 20083164 DPEMOELGOCHNNQ-UHFFFAOYSA-N 374.849 3.642 0 40 FHAB O=C(CCc1nc(-c2ccccc2)no1)NCc1nc2ccccc2s1 31098786 LOKAQTJIZSMBOJ-UHFFFAOYSA-N 364.430 3.595 0 40 FHAB CCCN1CCc2c(sc3ncn4nc(Cc5ccccc5)nc4c23)C1 20548901 VISKCTGAUJKDCF-UHFFFAOYSA-N 363.490 3.698 0 40 FHAB CC[C@H](CNC(=O)c1cc(-c2ccco2)on1)N1CCc2ccccc2C1 32447466 MDIVLNXRTSYKGO-QGZVFWFLSA-N 365.433 3.501 0 40 FHAB O=C(CS[C@@H]1CCc2ccccc2N=C1O)NCCc1ccccc1 11865933 QFEXBFVAQKDNMP-GOSISDBHSA-N 354.475 3.682 0 40 FHAB Cc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N3CCC(C)CC3)n12 877076 GMAHQKXQXLAROG-UHFFFAOYSA-N 368.506 3.850 0 40 FHAB COc1ccc(-c2nc3c(C)cccn3c2NC[C@H]2CCCO2)c(OC)c1 883884 OBLLRZJGFZSMQM-MRXNPFEDSA-N 367.449 3.918 0 40 FHAB COc1ccc(NC(=O)NC2(C(=O)N3CCCCCC3)CCCCC2)cc1 1344867 NWNMVFTVXNUWFL-UHFFFAOYSA-N 373.497 3.922 0 40 FHAB CCc1nn2c(=O)cc(COc3ccc(Cl)c(Cl)c3)nc2s1 32764937 DQHZEMIRCUCKCV-UHFFFAOYSA-N 356.234 3.599 0 40 FHAB CCOc1cccc2cc([C@@H](C)NC(=O)c3ccc4[nH]nnc4c3)oc12 32744959 SASYPRBKBHKTOE-LLVKDONJSA-N 350.378 3.594 0 40 FHAB CN1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](c2ccccc2)C1 32759992 UOSWMIFHJMSSHG-LJQANCHMSA-N 353.853 3.950 0 40 FHAB Cc1cc(C)c(C(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)c(C)c1 2635114 UXIMBGLQZQLKIK-JLCFBVMHSA-N 370.493 3.931 0 40 FHAB O=C(COc1ccc(Cl)cc1)OCCNC12CC3CC(CC(C3)C1)C2 4214735 PLSMXIQMWYSHIV-UHFFFAOYSA-N 363.885 3.820 0 40 FHAB in-man S=C(NCc1ccc2c(c1)OCO2)Nc1ccc(N2CCCCC2)cc1 6332432 GEAYVLCBCGLKAX-UHFFFAOYSA-N 369.490 3.892 0 40 FHAB CCCCN1C(=O)S[C@@H](Cc2ccc(OCC)cc2OCC)C1=O 6647655 ZQUUGOYPTNJYIS-INIZCTEOSA-N 351.468 3.891 0 40 FHAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(C)cc2C)CC1=O 7610177 JDSLSRISNSTIPG-CQSZACIVSA-N 372.852 3.957 0 40 FHAB C[C@H](NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)N1CCCC1 8312261 BSVGMODSRUXWCO-PXNSSMCTSA-N 361.489 3.900 0 40 FHAB c1ccc(N2CCN(C3CCN(Cc4c[nH]c5ccccc45)CC3)CC2)cc1 2734899 JORKXJSOGVYCPP-UHFFFAOYSA-N 374.532 3.955 0 40 FHAB CCOc1ccccc1N1C(=O)C[C@@H](Nc2c(C)cc(C)cc2C)C1=O 101276158 QTZXTDAXHREKKO-MRXNPFEDSA-N 352.434 3.755 0 40 FHAB CCc1ccccc1NC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 8434202 XERVJGSKRVAWNZ-RTBURBONSA-N 374.440 3.957 0 40 FHAB Cc1c(C(=O)NC2CCN(Cc3ccncc3)CC2)oc2c(C)cccc12 53092109 UDNLUOBADPEXHS-UHFFFAOYSA-N 363.461 3.839 0 40 FHAB Cc1cccc(-c2noc([C@@H]3[C@@H]4CC[C@H](C4)N3C(=O)c3cccnc3)n2)c1 100219997 KPLJPHKINSQBPT-OLMNPRSZSA-N 360.417 3.806 0 40 FHAB COc1ccc(C)cc1NC(=O)CSc1nnc(Cc2ccccc2)o1 686664 OASHADAIXCDKCI-UHFFFAOYSA-N 369.446 3.708 0 40 FHAB COc1ccccc1C1(O)CCN(CC(C)(C)CN2CCC(C)CC2)CC1 57822778 YBYALKQTHSOEOG-UHFFFAOYSA-N 374.569 3.737 0 40 FHAB CCOC(=O)N(C)c1ccc(NC(=O)c2ccc(Br)o2)cc1 54313198 DAMVSZLIPVMVQW-UHFFFAOYSA-N 367.199 3.887 0 40 FHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CSc1cccs1 23192723 NPJYDCZZFURDRV-ZDUSSCGKSA-N 358.492 3.641 0 40 FHAB CC(C)CNC(=O)c1ccccc1NC(=O)CCCOc1ccccc1 27377675 QKCBOUGZSIVAHC-UHFFFAOYSA-N 354.450 3.870 0 40 FHAB COc1ccc2c(c1)S[C@H](CC(=O)Nc1ccc3c(c1)OCO3)C(O)=N2 61718606 RMCARKCUOOMZRT-MRXNPFEDSA-N 372.402 3.515 0 40 FHAB CCCn1ncc(CN2[C@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)c1C 100765531 GTRXGQLSHLSBRV-ROUUACIJSA-N 357.473 3.755 0 40 FHAB COC(=O)/C=C/c1ccc(OCc2cn3cc(Cl)ccc3n2)c(OC)c1 12534928 GWKXMVQOPFGAMX-XBXARRHUSA-N 372.808 3.762 0 40 FHAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(C[C@@H]1CCCO1)CO3 57135513 HPHNLAPQECQITL-INIZCTEOSA-N 363.413 3.791 0 40 FHAB biogenic COc1ccc(C(C)(C)C)cc1NC(=O)COc1ncnc2ccccc12 3254659 GRACFPZOAUHDED-UHFFFAOYSA-N 365.433 3.953 0 40 FHAB O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)c1cc(Cl)ccc1Cl 57995237 GPZWGKNVJAJDJX-INIZCTEOSA-N 363.244 3.524 0 40 FHAB Cc1ccc(NCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1Cl 58019132 HEJCOXJTXGKWDK-ZDUSSCGKSA-N 357.841 3.824 0 40 FHAB CCOC(=O)c1c(NC(=O)CNc2cc(F)cc(F)c2)sc(C)c1C 10026440 ZGAXMVVLXJISSU-UHFFFAOYSA-N 368.405 3.870 0 40 FHAB Cc1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)ccc1C(=O)O 44750138 APKKHXYUOLBPJN-UHFFFAOYSA-N 366.247 3.862 0 40 FHAB COc1cc(CCC(=O)Nc2nccs2)ccc1OCC(F)(F)F 58192279 BSBZBFRNOXOZNA-UHFFFAOYSA-N 360.357 3.664 0 40 FHAB CN(C)CCn1cc(C(=O)NCC(C)(C)c2ccccc2)c2ccccc21 58161081 QFNRLAFDIMDKTF-UHFFFAOYSA-N 363.505 3.911 0 40 FHAB O=C(c1cc(=O)c2cc(F)ccc2o1)N(Cc1ccco1)Cc1ccco1 27989451 LLZFDNFQVYUZCP-UHFFFAOYSA-N 367.332 3.961 0 40 FHAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2c(Cl)c3ccccc3n2C)n1 58406521 CXVQOSUSBWVZSJ-LBPRGKRZSA-N 358.873 3.711 0 40 FHAB COc1cc([C@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)ccc1O 36354142 DLXGOBYNEYYCSX-GFCCVEGCSA-N 359.451 3.971 0 40 FHAB COc1ccc(OCCCC(=O)NCc2coc(-c3cccs3)n2)cc1 10875260 NIPYSFXSRZZQNR-UHFFFAOYSA-N 372.446 3.887 0 40 FHAB CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1OC 2360943 IFNLVECWWFLDHI-CLOONOSVSA-N 363.394 3.782 0 40 FHAB O=C(NCc1ccc(Cn2ccnc2)cc1)c1csc2c1CCCC2 29027240 CCAYDKNVWBBWHF-UHFFFAOYSA-N 351.475 3.802 0 40 FHAB Cc1ccccc1[C@H](C)NC(=O)NCc1ccc(N2CCCC2=O)cc1 12752090 KBRDINZVMBXHSK-INIZCTEOSA-N 351.450 3.682 0 40 FHAB CCOc1cc2c(cc1NC(=O)COc1ccc(CC)cc1)O[C@@H](C)C2 12888331 ZDRUATXYRQDJFP-AWEZNQCLSA-N 355.434 3.989 0 40 FHAB CCOc1ccccc1C(=O)N[C@@H](C(=O)Nc1cccc(F)c1)C(C)C 3517806 WPVIEISNXKAVTN-GOSISDBHSA-N 358.413 3.618 0 40 FHAB Clc1ccc(-c2noc(Cn3nnc(-c4cccc(Cl)c4)n3)n2)cc1 12994539 URHCSFYXNMXGTO-UHFFFAOYSA-N 373.203 3.745 0 40 FHAB COc1ccc(O)c(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)c1 12945696 UVQVFMZVJOJCPS-UHFFFAOYSA-N 368.458 3.805 0 40 FHAB O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)NCc1ccco1 8410151 MYONFSIQTBZLNO-UHFFFAOYSA-N 373.478 3.539 0 40 FHAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1nc2ccccc2[nH]1 8643013 KDHUVCCGEHQBHH-UHFFFAOYSA-N 371.396 3.811 0 40 FHAB O=C(/C=C/c1ccccc1)NC1CCC(NC(=O)/C=C/c2ccccc2)CC1 6337367 OVWBRASWAHTBTI-JYFOCSDGSA-N 374.484 3.957 0 40 FHAB COc1ccc(SCC(=O)NCCCc2cccc(C)c2)cc1OC 20108475 NJALETASRIUTFD-UHFFFAOYSA-N 359.491 3.853 0 40 FHAB CCOc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc[nH]3)o2)cc1 14158886 NEEDLXGSYVYLJS-LLVKDONJSA-N 358.423 3.583 0 40 FHAB CCCc1sc(C(=O)N(C)CC(=O)Nc2ccc(OC)cc2)cc1CC 14183146 YQRUEGNIRLDNMK-UHFFFAOYSA-N 374.506 3.982 0 40 FHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N[C@H](C)c2ccco2)cc1 14185400 LZADBOJMJLFIJL-CQSZACIVSA-N 373.412 3.778 0 40 FHAB C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)N1CCCC1 4596930 BCTPXAHMZCPBOI-GFCCVEGCSA-N 360.458 3.522 0 40 FHAB Cc1ccc(-c2cc(C(=O)N3CCOCC3)c3cnn(C(C)C)c3n2)s1 14209780 MXPFRUZPSAPUJE-UHFFFAOYSA-N 370.478 3.522 0 40 FHAB COc1ccc(C2=Nn3c(nnc3C3CCCCC3)SC2)cc1OC 6733530 GZKQZDCBXDRWEG-UHFFFAOYSA-N 358.467 3.701 0 40 FHAB O=C(NC1=NCCS1)c1cc2sc(Nc3ccccc3)nc2s1 8747072 BSCFOSCPJUGKPK-UHFFFAOYSA-N 360.489 3.934 0 40 FHAB Cc1ccc(NC(=O)Nc2nnc(-c3ccc4c(c3)OCO4)s2)cc1 8738643 KYGNUHDRWJUWDP-UHFFFAOYSA-N 354.391 3.886 0 40 FHAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc2c(c1)OCO2 8744621 JGOSJUBRQVLAQI-UHFFFAOYSA-N 356.378 3.854 0 40 FHAB Cc1ccccc1-n1nnnc1S[C@H](C)c1nnc(-c2ccccc2)o1 7787288 BGZUGEGDPGMJCC-CYBMUJFWSA-N 364.434 3.874 0 40 FHAB CC(=O)Nc1cccc(C(=O)OCc2cc(=O)oc3cc(C)c(C)cc23)c1 7706875 VFIWEINPEARNJP-UHFFFAOYSA-N 365.385 3.725 0 40 FHAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N[C@H](C)c1ccc(F)cc1 7904327 QVYVQIYHCNTHOD-NEPJUHHUSA-N 374.485 3.988 0 40 FHAB COc1ccc(CNC(=O)COc2ccc(-c3nc(C)cs3)cc2)cc1 7995311 SAQNWHPJVPHJKD-UHFFFAOYSA-N 368.458 3.822 0 40 FHAB CC(C)OCc1ccc(C(=O)OCCCn2c(=O)[nH]c3ccccc32)cc1 8882346 KBZQSUWXQSDZIR-UHFFFAOYSA-N 368.433 3.502 0 40 FHAB CCCCn1c(SCc2nnc(C)n2CCC)nc2ccccc2c1=O 97022773 ISSXAVIBAKDNMP-UHFFFAOYSA-N 371.510 3.799 0 40 FHAB CCN1CCC[C@@H]1CNCc1cccc(OC)c1OCc1ccc(F)cc1 19872213 IMWQFZGWFFEPOO-HXUWFJFHSA-N 372.484 3.987 0 40 FHAB O=C(COc1ccc(C2SCCS2)cc1)N[C@H]1COc2ccccc21 95389999 VXIJVUDVJWNWGQ-INIZCTEOSA-N 373.499 3.794 0 40 FHAB O=C(Nc1cccc(Cn2ccnc2)c1)c1ccn(-c2ccc(F)cc2)n1 25181845 FNTRETFDVPWWIB-UHFFFAOYSA-N 361.380 3.509 0 40 FHAB Cn1cccc1-c1csc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)n1 89756760 VQEBEOGMEVYAEH-MRXNPFEDSA-N 352.419 3.605 0 40 FHAB c1cncc(-c2ccc3nc([C@H]4CCCN(Cc5ccco5)C4)nn3c2)c1 306141097 VLFKGJMKHYVNHZ-SFHVURJKSA-N 359.433 3.764 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)CSCc2ccc(F)cc2)c1 26392207 TXGJHKPPCCJKPE-CYBMUJFWSA-N 363.454 3.954 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)[nH]n2)cc1C 408713023 GYJWGGGPCUKMBJ-UHFFFAOYSA-N 357.435 3.585 0 40 FHAB COc1ccccc1-c1cc(C(=O)NCCc2ccc(Cl)cc2)no1 32830190 KEGWADTVQORJQC-UHFFFAOYSA-N 356.809 3.976 0 40 FHAB CCOc1ccccc1-c1noc(-c2nn(-c3ccc(C)cc3)ccc2=O)n1 33300369 DWIMLYBPPCHNGR-UHFFFAOYSA-N 374.400 3.657 0 40 FHAB COc1ccc2cc(C(=O)Nc3ccccc3Br)c(=O)oc2c1 33809550 OLZDYYUUCJGEFI-UHFFFAOYSA-N 374.190 3.816 0 40 FHAB CC(C)NC(=O)COc1cccc(-c2noc(-c3ccccc3Cl)n2)c1 33327298 PWXLQPHNNCFNSO-UHFFFAOYSA-N 371.824 3.960 0 40 FHAB O=C(O)c1ccc(CSc2n[nH]c(COc3ccccc3F)n2)cc1 409385926 ONRWMHQCZSAIDJ-UHFFFAOYSA-N 359.382 3.513 0 40 FHAB COc1ccc(-c2noc(CNC(=S)Nc3cccc(C)c3)n2)cc1 78441983 DKJCAFNZWOAMBY-UHFFFAOYSA-N 354.435 3.540 0 40 FHAB O=C(Nc1ccc(Br)cc1)[C@@H]1CC(c2cccc(F)c2)=NO1 32833042 FIKIRRPCBDRUIN-HNNXBMFYSA-N 363.186 3.720 0 40 FHAB COc1cc(OC)c(NC(=O)NCc2ccccc2OC)cc1Cl 33923658 JROZCHYGOCJZMY-UHFFFAOYSA-N 350.802 3.688 0 40 FHAB Cc1cccc(Nc2ccc([C@@H]3CCCN3Cc3cnn(C)c3C)nc2)n1 72353080 NWWJANNLCYBHJW-FQEVSTJZSA-N 362.481 3.908 0 40 FHAB O=C(NCc1ccc(Cl)cc1)NCC1(c2ccccc2)CCOCC1 38677315 SMVYGZQDQOAESE-UHFFFAOYSA-N 358.869 3.888 0 40 FHAB CNC(=O)N1N=C2C(=C3[C@H]4CC[C@@H]5CC[C@@H]([C@H]45)[C@H]31)[C@@H]1CC[C@H]3CC[C@H]2[C@H]31 71785660 ZZNHOUMKUHZVEA-ZKOJOOLXSA-N 351.494 3.795 0 40 FHAB Cc1ncccc1Oc1nccnc1C1CCN(Cc2ccccn2)CC1 72383638 KKIJRJALZHRDNI-UHFFFAOYSA-N 361.449 3.747 0 40 FHAB COc1ccc(OC)c(C[C@@H](Oc2cccc3ccccc23)C(=O)O)c1 225115862 AGUXJZRPMLNWSV-HXUWFJFHSA-N 352.386 3.932 0 40 FHAB CC(C)(C)NC(=O)C1(N(C=O)CCc2c[nH]c3ccccc23)CCCCC1 575443723 KPFIXNCXMWCRJL-UHFFFAOYSA-N 369.509 3.786 0 40 FHAB CSc1nnc(NC(=O)c2ccc(CN3CCCCCC3)cc2)s1 223154379 GGGQAMJSEVJFQI-UHFFFAOYSA-N 362.524 3.888 0 40 FHAB Cc1cccnc1NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 49550991 MJFCNXJYZKUOQF-NSHDSACASA-N 364.232 3.688 0 40 FHAB COc1ccc(-c2noc(CNC(=S)Nc3cc(C)cc(C)c3)n2)cc1 225823375 STFANUSRGCXSDB-UHFFFAOYSA-N 368.462 3.849 0 40 FHAB O=S(=O)(Cc1ccc(Cl)cc1Cl)NCCOCc1ccccc1 224178058 JETSIOIEKLJXMO-UHFFFAOYSA-N 374.289 3.630 0 40 FHAB CC(C)CNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224027571 YSTRYHHQTYXOJB-UHFFFAOYSA-N 366.870 3.527 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C)c1C 225052788 AKOZHURRMWTYML-ZDUSSCGKSA-N 356.447 3.623 0 40 FHAB CNc1cc([C@H]2CCCN2C(=O)C(C)(C)c2cccc(F)c2)nc(C)n1 257303062 SFQIERONGKVKOX-QGZVFWFLSA-N 356.445 3.607 0 40 FHAB CC(C)c1nccc(N2CCC[C@@H]3[C@H](NC(=O)C4CCCC4)C(C)(C)[C@H]32)n1 585137630 KMNBCGLSXFWEHV-NEWSRXKRSA-N 370.541 3.900 0 40 FHAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H](Oc2ccncc2)C1 575604785 BHYDIPOPZWQXLI-INIZCTEOSA-N 350.340 3.784 0 40 FHAB CC[C@H](C)CN1C[C@H]2c3ccccc3[C@@H](NC(=O)CC3CCOCC3)[C@H]2C1 585109680 IFRIHVHWOUJJNP-NGXQKHRBSA-N 370.537 3.736 0 40 FHAB O=C(Nc1nc([C@@H]2CCCN2Cc2cn[nH]c2)cs1)c1ccc(F)cc1 585294464 GBIMCLYSLCJVSF-INIZCTEOSA-N 371.441 3.595 0 40 FHAB O=C(CSC1CCCC1)N1CCC(Oc2ncccc2Cl)CC1 96096854 HLRPDLQFOXUKMY-UHFFFAOYSA-N 354.903 3.781 0 40 FHAB Cc1ccc(NC(=O)CSc2nc(-c3cccnc3)n[nH]2)cc1Cl 5518722 ITRAHGBTCBUXJZ-UHFFFAOYSA-N 359.842 3.559 0 40 FHAB Cc1nc2ccc(C(=O)N[C@H](C)c3nc(-c4cccnc4)no3)cc2s1 12202401 CXYQYRFBULGNRU-SNVBAGLBSA-N 365.418 3.541 0 40 FHAB O[C@@H](CNCc1ccco1)Cn1c2c(c3cccc(Cl)c31)CCCC2 12421970 SHZKHCIVXHVTMO-AWEZNQCLSA-N 358.869 3.917 0 40 FHAB Cc1ccc2[nH]c3nc(SCC(=O)N4[C@@H](C)CCC[C@H]4C)nnc3c2c1 12492329 IZLKAESYOUOWKE-BETUJISGSA-N 369.494 3.696 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(Cl)c1N1CCOCC1 12794106 JXLYDPCSBALDCO-CQSZACIVSA-N 360.841 3.583 0 40 FHAB C[C@H](Oc1cccc2ccccc12)C(=O)N1CCN(Cc2ccccc2)CC1 13709129 CCUXJNKNFINVOS-IBGZPJMESA-N 374.484 3.952 0 40 FHAB Cc1cc(C)cc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)c1 13995792 WJSHJWMAHNQWPN-UHFFFAOYSA-N 352.434 3.557 0 40 FHAB Cc1noc2nc(C3CC3)cc(C(=O)NCc3cnn(-c4ccccc4)c3)c12 14409872 KJTPMGMEQBAEFM-UHFFFAOYSA-N 373.416 3.524 0 40 FHAB CCCCNCc1ccc(O[C@@H](C)C(=O)OCC)c(Br)c1 16638895 KTGZAMFATFPJIT-LBPRGKRZSA-N 358.276 3.669 0 40 FHAB COc1ccc(C(=O)NCc2nnc(-c3cccs3)o2)c2ccccc12 19552948 LYPTUUDMPHEEBS-UHFFFAOYSA-N 365.414 3.890 0 40 FHAB c1cc(NCc2ccc(-n3cccn3)cc2)cc([C@H]2CCc3nncn3C2)c1 19699111 VSZKWYGDLSOPDI-IBGZPJMESA-N 370.460 3.806 0 40 FHAB COc1ccc(C2(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)CC2)cc1 12221385 INWBKWGQJMHNCL-IBGZPJMESA-N 361.445 3.967 0 40 FHAB C[C@H](O)[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@]4(C)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 253617544 UUNZVNLAFCAUHR-DGLCFUQUSA-N 350.543 3.892 0 40 FHAB C[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccccc1Br 25766172 HOROVSKSPXXOGL-GFCCVEGCSA-N 354.269 3.630 0 40 FHAB COc1cc(CNC(=O)[C@@H]2CC=CCC2)ccc1OCc1ccncc1 40121670 UFKZIFZSXPUUHE-GOSISDBHSA-N 352.434 3.642 0 40 FHAB C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccc(OC)c(F)c2)cc1 1640048069 RIADJRJRFLCTSY-GOSISDBHSA-N 368.408 3.936 0 40 FHAB Cc1ccc(-n2ncc3c(NCc4ccccn4)ncnc32)cc1Cl 10253772 KELLYNRACFIJLY-UHFFFAOYSA-N 350.813 3.784 0 40 FHAB COc1cn(-c2ccc(F)cc2)nc1C(=O)N1c2ccccc2C[C@H]1C 12444021 CEKIDFHCWLATOA-CYBMUJFWSA-N 351.381 3.611 0 40 FHAB Cc1cc(C)c(NC(=O)CSc2ccc(NC(=O)C(C)C)nn2)c(C)c1 13702078 NQBTZZGBNFJYPB-UHFFFAOYSA-N 372.494 3.727 0 40 FHAB O=C(c1ccccc1Cl)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575615205 BVBDAULTNDKCNL-CQSZACIVSA-N 367.836 3.527 0 40 FHAB CC1(C)C(=O)O[C@H](/C(Br)=C\c2ccccc2)C(C)(C)C1=O 5700735 FQRAJELPGROWBW-RSKUSDAESA-N 351.240 3.969 0 40 FHAB CC[C@]1(C)Oc2ccc(NC(=O)c3ccc(OC)c(OC)c3OC)cc2O1 30952738 VNKRRQJKFWBIPB-HXUWFJFHSA-N 373.405 3.862 0 40 FHAB CC(C)(C)OC(=O)N1CCN(C(=O)c2occc2-c2ccccc2)CC1 40025622 UIDGQSPFMDBFHY-UHFFFAOYSA-N 356.422 3.640 0 40 FHAB Cc1ccc(C2=C[C@H](c3cccc(Br)c3)n3nnnc3N2)cc1 101224694 XACIAHWNXRUXSQ-MRXNPFEDSA-N 368.238 3.800 0 40 FHAB Cc1sc2ncnc(OCC(=O)N[C@H](C)CCc3ccccc3)c2c1C 2663557 BLZZRDXZXOCYBV-CYBMUJFWSA-N 369.490 3.824 0 40 FHAB Cc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1Cc1cccs1 2665248 TYSIXCIGCCAYRS-UHFFFAOYSA-N 368.458 3.575 0 40 FHAB CCc1ccc(NC(=O)c2ccc3c(=O)n(CC)c(S)nc3c2)cc1 102343448 MEUWZNCCVKTUBA-UHFFFAOYSA-N 353.447 3.520 0 40 FHAB O=C(N1CCC[C@@H](c2nnc3ccccn23)C1)C12CC3CC(CC(C3)C1)C2 32830464 QSJUASJRCYIXHP-DQYWGJDHSA-N 364.493 3.652 0 40 FHAB O=[S@@](CCOc1cccc(Cl)c1)Cc1nc(-c2ccsc2)no1 32801195 UGIQXXIUNLHYMQ-HSZRJFAPSA-N 368.867 3.779 0 40 FHAB COc1ccc(NC(=O)CSc2nccn2-c2ccccc2)c(OC)c1 2722997 WWBHQQRXYDQQKN-UHFFFAOYSA-N 369.446 3.620 0 40 FHAB aggregator CCCc1cc(C(=O)OCC)c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)s1 2767482 FKWCOLVJWHZVLL-OLZOCXBDSA-N 367.467 3.707 0 40 FHAB Cc1ccc(C(=O)N/C(=C/c2cccnc2)C(=O)Nc2cccc(O)c2)cc1 4797712 DSNDOKSNOLJGBH-UDWIEESQSA-N 373.412 3.505 0 40 FHAB CC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 6553218 JNVUDRUVXOABJY-MRXNPFEDSA-N 374.506 3.941 0 40 FHAB Cc1cc(I)cnc1NC(=O)/C=C/c1ccccc1 6572463 WPTIZFLGBKGUQN-BQYQJAHWSA-N 364.186 3.647 0 40 FHAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2cccc(C)c2)c1 7716927 JIYDLIMYQTUNDI-LJQANCHMSA-N 354.450 3.788 0 40 FHAB CCOc1ccc(OCC(=O)OCc2ncc(-c3ccccc3)o2)cc1 7779569 SRTPJURAHSILPH-UHFFFAOYSA-N 353.374 3.863 0 40 FHAB CCN(c1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1)S(C)(=O)=O 10008542 MCSZUXHMDZCXEY-UHFFFAOYSA-N 360.479 3.848 0 40 FHAB Cc1ccc(C(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)cc1C 32914561 FICJPTDKYLUNIP-INIZCTEOSA-N 362.433 3.952 0 40 FHAB Cc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1NS(C)(=O)=O 10371504 MUUQGQFZOBSZMC-UHFFFAOYSA-N 354.431 3.772 0 40 FHAB COC(=O)c1ccc(CNC(=O)Cc2csc(-c3cccs3)n2)cc1 8751706 JUMAYNVKLXEQIT-UHFFFAOYSA-N 372.471 3.517 0 40 FHAB Fc1ccccc1N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 21937561 NPPBACWLUVBBIC-UHFFFAOYSA-N 372.831 3.851 0 40 FHAB COc1ccc(N2C(=O)C[C@@H](Nc3ccc(F)cc3C)C2=O)cc1Cl 103243629 OGSJLNRHNAOBBU-OAHLLOKOSA-N 362.788 3.540 0 40 FHAB O=C(c1ccccc1)N1C[C@@](O)(c2ccccc2)N(c2ccccc2)C1=S 687882 SOTPNKGQCVOHHO-JOCHJYFZSA-N 374.465 3.779 0 40 FHAB COc1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc1OC(C)C 662720 LEJOWKAODQMOLK-CXUHLZMHSA-N 355.365 3.966 0 40 FHAB CC(=O)c1c[nH]c(C(=O)NCCc2ccc(-c3csc(C)n3)s2)c1 12397059 LIHPSEZJWIWOGM-UHFFFAOYSA-N 359.476 3.683 0 40 FHAB CC(C)N(C(=O)CSc1nc(N)c2ccsc2n1)c1ccccc1 9647683 MASHFXVGPGOTLW-UHFFFAOYSA-N 358.492 3.807 0 40 FHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@H]1CCCC[C@H]1C 9663042 BKVOAPNNGHBBNP-WBVHZDCISA-N 372.538 3.676 0 40 FHAB NC(=O)c1cc(NC(=O)c2occc2COc2ccccc2)ccc1Cl 23056589 IBFVNEDGEMFIJP-UHFFFAOYSA-N 370.792 3.863 0 40 FHAB c1ccc(-c2cc(CN3CCC[C@H](c4nnc5ccccn45)C3)on2)cc1 76395774 RNRPSHBTBBNLCS-KRWDZBQOSA-N 359.433 3.764 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)c1 20143302 PMJGIPAGWUWFLT-UHFFFAOYSA-N 353.374 3.708 0 40 FHAB O=C(C[C@H]1C=CCC1)Nc1ccccc1NS(=O)(=O)c1cccs1 23194733 NFJPMFAYWNTATI-ZDUSSCGKSA-N 362.476 3.844 0 40 FHAB O=C1C[C@@H](c2ccc3c(c2)OCCO3)Oc2ccc(Br)cc21 938991 HSYIPPYVHYDFJD-INIZCTEOSA-N 361.191 3.927 0 40 FHAB biogenic Cc1ccc(-n2c(=O)c3c4c(sc3n3cnnc23)CCC[C@H]4C)cc1 986210 HZLXYUFQPKPBNQ-GFCCVEGCSA-N 350.447 3.843 0 40 FHAB Cc1ccccc1Nc1nc(N)nc(CN(C)Cc2ccc(Cl)cc2)n1 23425518 KNSLFDWFKKNCHR-UHFFFAOYSA-N 368.872 3.791 0 40 FHAB Cc1nccn1-c1ccc(CNC(=O)CCSc2ccccc2)cc1 22512458 NEDMZPGNZLXBTB-UHFFFAOYSA-N 351.475 3.979 0 40 FHAB S=c1oc2cc(Cl)ccc2n1CN1CCN(c2ccccn2)CC1 12543739 GFQJLTJHEMYPCZ-UHFFFAOYSA-N 360.870 3.792 0 40 FHAB COC(=O)N(C)c1ccc(NC(=O)c2oc3c(c2C)C(=O)CCC3)cc1 56450254 QRKJNIREUUASRO-UHFFFAOYSA-N 356.378 3.562 0 40 FHAB C[C@H](NC(=O)COC(=O)COc1ccc2ccccc2c1)c1ccccc1 3248246 BCHVITSYPSPBBX-INIZCTEOSA-N 363.413 3.639 0 40 FHAB Cc1c(C(=O)N2CCC[C@@H](C(=O)Nc3nccs3)C2)oc2ccccc12 58161703 MASHBXLBLNLKOG-CYBMUJFWSA-N 369.446 3.689 0 40 FHAB COC(=O)c1ccc(NC(=O)CNc2ccccc2N2CCCCC2)cc1 21887885 WWDANCZFLTZADX-UHFFFAOYSA-N 367.449 3.514 0 40 FHAB COc1cc(CS[C@@H](C)C(=O)NC2CCCC2)ccc1OC(F)F 45090321 XLNYSBXOEMXVST-NSHDSACASA-N 359.438 3.977 0 40 FHAB Cc1cc([C@@H]2CCCN2C(=O)Nc2cnc3c(cnn3C(C)C)c2)on1 48288263 WUONJHXFVTWOMB-HNNXBMFYSA-N 354.414 3.678 0 40 FHAB Brc1ccc(-c2nn3c(-c4cccnc4)nnc3s2)cc1 2396880 ZIYPSJVKERTDDK-UHFFFAOYSA-N 358.224 3.677 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)N1CCN(c2cccc(Cl)c2)CC1 3458517 KGMDAZYQXQUSIF-UHFFFAOYSA-N 353.853 3.713 0 40 FHAB CCOc1ccccc1CN1C(=O)N[C@@](C)(c2ccccc2Cl)C1=O 3462893 JCUQFURUSJTMSO-IBGZPJMESA-N 358.825 3.706 0 40 FHAB COc1ccc([C@H]2[C@@H](C(=O)O)CCC(=O)N2c2ccc(C)cc2)cc1OC 3888152 KZRIPBOEXHKWGY-JXFKEZNVSA-N 369.417 3.581 0 40 FHAB Cn1ccnc1SCC(=O)Nc1cccc(Cl)c1N1CCCCC1 8715434 GUAAPOPRIYVUHU-UHFFFAOYSA-N 364.902 3.795 0 40 FHAB COC(=O)c1ccccc1NC(=O)Cc1csc(-c2cccc(F)c2)n1 8744785 OVVVBCGONJEFLI-UHFFFAOYSA-N 370.405 3.917 0 40 FHAB CS(=O)(=O)Nc1ccccc1C(=O)OCc1ccc(Cl)cc1Cl 18263298 AVNIZQBDDWABRZ-UHFFFAOYSA-N 374.245 3.722 0 40 FHAB CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 4385251 IPLGGWYBUHAYQQ-INIZCTEOSA-N 352.434 3.694 0 40 FHAB Cc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@@H](c1ccccc1O)C3 13942511 FGIZAKKDJROBLO-HNNXBMFYSA-N 370.412 3.718 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)Nc1nnc(COc2ccccc2)s1 13944164 RJXORZRCXNWPRQ-ZDUSSCGKSA-N 355.419 3.523 0 40 FHAB CC[S@](=O)c1ccccc1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 14197253 ZJHGGSTWSHLODD-ZVIOPXOYSA-N 374.502 3.756 0 40 FHAB CCn1cc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)ccc1=O 65622265 PCSQKALCFVKQER-UHFFFAOYSA-N 354.450 3.717 0 40 FHAB O=C(Cc1ccc(Br)cc1)NCCOc1ccc(Cl)cc1 14233743 VFGQHMAIPBTVBT-UHFFFAOYSA-N 368.658 3.840 0 40 FHAB CN(C)C(=O)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 5448084 YUENTXCXFVRICF-UHFFFAOYSA-N 363.498 3.551 0 40 FHAB COc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1OC 14576868 BTJZZRLZEBSWRI-UHFFFAOYSA-N 355.390 3.998 0 40 FHAB Cc1cc(O)c2c(C)c(CC(=O)NCc3ccc(Cl)cc3)c(=O)oc2c1 4742693 RZCJEUCXKULOEX-UHFFFAOYSA-N 371.820 3.628 0 40 FHAB COc1cc(OC)c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OC 5671875 LKVDWQNLTUDEHF-UHFFFAOYSA-N 371.311 3.863 0 40 FHAB COc1ccc(C(=O)O[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)c(O)c1 7396687 JEHVUPGGHNJNJY-LBPRGKRZSA-N 353.374 3.619 0 40 FHAB Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)c1 7970185 LSZJQLPZDDSQEP-INIZCTEOSA-N 356.853 3.944 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2Br)cc1 8060123 RRHWCTFIBKVAEM-UHFFFAOYSA-N 351.175 3.799 0 40 FHAB Cc1ccc(O)c(C(=O)c2cnn(C(=O)COc3ccccc3Cl)c2)c1 8301783 NUAWMFPDXCRDMW-UHFFFAOYSA-N 370.792 3.501 0 40 FHAB NC(=O)c1cccc(N[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1 9339252 GBFSZYMYWKYCIW-IBGZPJMESA-N 363.392 3.717 0 40 FHAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN(c2ncccn2)C1 9548108 BPBITJUTKUYYMH-LLVKDONJSA-N 351.237 3.639 0 40 FHAB Cc1cc2oc(=O)cc(CN(C)CC(=O)OC(C)(C)C)c2cc1Cl 72230315 XCPSXKRVZAQIQO-UHFFFAOYSA-N 351.830 3.528 0 40 FHAB CCc1ccc(S(=O)(=O)N(C)[C@H](Cc2ccccn2)C(C)(C)C)cc1 72307436 YZSOTAPFJIKEBP-LJQANCHMSA-N 360.523 3.922 0 40 FHAB CCCc1nc([C@@H](NC(=O)N2CCC[C@H](C)CC2)c2ccccc2)no1 97229228 AMTHRYOGDBZZIX-YJBOKZPZSA-N 356.470 3.943 0 40 FHAB CCC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1c(C)nn(CC)c1C 84740834 MKJAAHALOOTRJB-QGZVFWFLSA-N 361.511 3.830 0 40 FHAB O[C@@H](c1ccccc1NCc1nc(Cc2ccccc2)no1)C(F)(F)F 95464723 ZQEAUTSFDDHTJN-KRWDZBQOSA-N 363.339 3.868 0 40 FHAB CNC(=S)N1N=C(c2cccc(C)c2)C[C@H]1c1ccc(OC)c(OC)c1 89669247 AAPGEYNYQSHPEP-KRWDZBQOSA-N 369.490 3.668 0 40 FHAB O=C(c1ccc(C(F)(F)F)nc1)N1CCc2[nH]c3ccc(F)cc3c2C1 25533156 OTBPDKNFZMHSAE-UHFFFAOYSA-N 363.314 3.919 0 40 FHAB O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NC1(c2ccccc2)CCC1 32769184 RADOTHIMSDVXGL-NTEUORMPSA-N 360.457 3.788 0 40 FHAB Cc1ccc(-c2nc3ccc(N4C[C@H](C(=O)O)CC4=O)cc3o2)cc1Cl 70461407 UVDRPPSGUGDZOO-GFCCVEGCSA-N 370.792 3.894 0 40 FHAB Oc1cc(C2CCN(Cc3ccsc3)CC2)nc(-c2ccncc2)n1 72392707 LGCJWBQUZZFJQG-UHFFFAOYSA-N 352.463 3.685 0 40 FHAB Cc1ccc(C(=O)OCC(=O)NCc2ccccc2C(F)(F)F)c(C)c1 72333935 HZWGVUXNWXJZLG-UHFFFAOYSA-N 365.351 3.795 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)N(Cc1ccccn1)Cc1ccco1 62018139 BWYHKVRYUVWSCF-UHFFFAOYSA-N 351.362 3.638 0 40 FHAB COc1c(CNC(=O)N2CC3(CCOCC3)[C@H]2C2CC2)oc2ccccc12 565349069 OMCKBESGSRCGFI-LJQANCHMSA-N 370.449 3.542 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 223833352 OEBVHRWQESVSCH-QGZVFWFLSA-N 370.468 3.538 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)NCCOc1ccccc1C(C)(C)C 223718177 XDYLITKPXFZEJX-MRXNPFEDSA-N 371.477 3.955 0 40 FHAB CC(C)C(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCCc1ccccc1 222912548 OGXONYXMACHYIN-KRWDZBQOSA-N 370.468 3.558 0 40 FHAB CN(c1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1)S(C)(=O)=O 222407035 BKLKDMXGNCKETK-UHFFFAOYSA-N 373.261 3.642 0 40 FHAB COc1cc(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)cc(OC)c1OC 40096228 NREUFFDGWGXRAA-SNVBAGLBSA-N 366.364 3.873 0 40 FHAB CCOCCOc1ncc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cc1C 225900967 YSKOWAWBHNJJBJ-MGPUTAFESA-N 364.486 3.729 0 40 FHAB CCc1ccc(O[C@H](CC)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 222876073 PKAYZIXWMACLID-LJQANCHMSA-N 371.477 3.783 0 40 FHAB Cc1ccc2nc(N3CC(C(=O)N[C@@H](C)c4ccccc4)C3)sc2c1 75172313 KNJYQCMMZJBALH-AWEZNQCLSA-N 351.475 3.918 0 40 FHAB Cc1cc([C@H](O)CCNC(=O)c2ccc(OC(F)(F)F)cc2)c(C)o1 85561739 QPNJYDVXAYXCHK-OAHLLOKOSA-N 357.328 3.649 0 40 FHAB COc1ccc(C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1Cl 223178008 XTIHQNOISJIRAD-UHFFFAOYSA-N 371.824 3.979 0 40 FHAB CCOc1ccc(S(=O)(=O)N[C@@H](CC)c2ccc(OC)c(C)c2)cc1 224304400 UUZKJAINEWSLGV-SFHVURJKSA-N 363.479 3.832 0 40 FHAB Cc1cc(F)ccc1C1CCN(C(=O)N[C@@H](c2nccn2C)C2CC2)CC1 578951159 NAKLODWHBYWZBA-LJQANCHMSA-N 370.472 3.908 0 40 FHAB CC(C)(C)OC(=O)N[C@H]1CCN([C@H](C(=O)O)c2ccc3ccccc3c2)C1 95635368 KLOYZXFPIGMFNV-ROUUACIJSA-N 370.449 3.565 0 40 FHAB O=C(NCCc1ccccn1)c1ccc2onc(-c3coc(C4CC4)n3)c2c1 96154296 BBGNFMHNGZHVPB-UHFFFAOYSA-N 374.400 3.728 0 40 FHAB Cc1cccc(COC[C@@H]2C[C@@H]3OCCN(Cc4ccsc4)[C@H]3C2)n1 247896733 XODIJQKKRQVUFQ-IHPCNDPISA-N 358.507 3.648 0 40 FHAB Cc1nccc(CN2CCC[C@@H](c3ccc(-c4c(C)noc4C)cn3)C2)n1 257318912 VPYCXBQLSHAOLA-GOSISDBHSA-N 363.465 3.831 0 40 FHAB CNc1ccc(C(=O)N[C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)cn1 1638900454 JSGYYSSCOLCZHG-CYBMUJFWSA-N 354.841 3.545 0 40 FHAB CCOc1cc2c(cc1NC(=O)C[C@H]1NCc3ccccc31)O[C@@H](C)C2 659267273 YUXKOLSWZVXXST-SUMWQHHRSA-N 352.434 3.582 0 40 FHAB Cc1ccc(NC(=O)Cc2nc3sc4c(c3c(=O)[nH]2)CCCS4)cc1 55502737 JGACSHDFMQEMOR-UHFFFAOYSA-N 371.487 3.513 0 40 FHAB CCn1ccc(C(=O)N2CCC[C@@]23CN(c2ccc(F)cc2)C(C)(C)C3)n1 1615121136 MTHQVJKKCQXSQO-OAQYLSRUSA-N 370.472 3.706 0 40 FHAB CCc1ccc(-c2nnc(SCC(=O)c3cc(C)n(C)c3C)[nH]2)cc1 5179633 LRQDMTSLFMRWCR-UHFFFAOYSA-N 354.479 3.964 0 40 FHAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(C(F)(F)F)c1 5675149 ZPORCHZEXSQVNE-OAHLLOKOSA-N 366.339 3.611 0 40 FHAB O=c1[nH]cc(-c2ccccc2)cc1CNc1ccc(Cn2cccn2)cc1 12144097 JXBPJGPANUTRLB-UHFFFAOYSA-N 356.429 3.899 0 40 FHAB O=C(CCCSc1nc2c3ccccc3ncn2n1)Nc1ccccc1 12810403 IILZCVRRRWRVGO-UHFFFAOYSA-N 363.446 3.789 0 40 FHAB O=C(NCc1ccc(-c2ncncc2-c2ccncc2)cc1)c1ccccn1 13267786 QJIALOSGCUKPCB-UHFFFAOYSA-N 367.412 3.531 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccc(C(C)C)cc1 13583192 FCEMUJHLYHGYEU-UHFFFAOYSA-N 360.479 3.621 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 14139307 XMAVDZUTEIJNJS-STQMWFEESA-N 372.490 3.686 0 40 FHAB Cc1ccccc1OCC(=O)NC(=S)Nc1cccc2c(O)cccc12 17075245 OMLMUQMQENKNTB-UHFFFAOYSA-N 366.442 3.746 0 40 FHAB Cc1ccccc1CC(=O)N1CCC[C@H]1c1nnc(-c2scnc2C)o1 19237071 DUEXOFUHTYLCPS-HNNXBMFYSA-N 368.462 3.716 0 40 FHAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)[C@H]3C[C@H]3C)cc2N1 19463299 IJGDDOAODONPPB-KHQUWSPVSA-N 356.392 3.510 0 40 FHAB Cc1cc(N2CCC(CNC(=O)CCCc3ccccc3)CC2)ccn1 1888870169 MGWZSWISILVMGU-UHFFFAOYSA-N 351.494 3.746 0 40 FHAB COc1ccc(CN(C)C(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1F 26338621 FHBYDLOQZTXSHW-SFHVURJKSA-N 373.424 3.664 0 40 FHAB CCn1ncc(Br)c1C(=O)Nc1cc(Cl)ccc1OC 28223819 YUXRZXOWPZDJLN-UHFFFAOYSA-N 358.623 3.580 0 40 FHAB CCC(=O)Nc1nc(-c2ccc(I)cc2)cs1 1510680 UXXKXYCUUUSXPX-UHFFFAOYSA-N 358.204 3.763 0 40 FHAB Cc1cccc(CC(=O)NCCSc2ncc(-c3ccc(F)cc3)[nH]2)c1 4315722 ARYDFOPQUVFMDC-UHFFFAOYSA-N 369.465 3.975 0 40 FHAB O=C(c1ccc(-c2cnco2)cc1)N1CCC([C@@H](O)c2ccccc2)CC1 40151817 OHSHACIYOMUJPY-NRFANRHFSA-N 362.429 3.927 0 40 FHAB Cc1nc(COc2ccc(C(=O)N3CCC[C@H]3c3ccsc3)cc2)no1 40107700 QAUHBUGRFMDLIX-KRWDZBQOSA-N 369.446 3.996 0 40 FHAB CCCCCNC(=O)C1CCN(C(=O)[C@@H](C)Oc2cccc(C)c2C)CC1 40121278 ZFYMGACMBRMVMR-GOSISDBHSA-N 374.525 3.616 0 40 FHAB Cc1nc(S[C@H](C(=O)NCc2cccnc2)C(C)C)n(C2CC2)c1C 50247962 DBFTXJDXRKAEQH-KRWDZBQOSA-N 358.511 3.663 0 40 FHAB O[C@@H](CSc1ccccc1Cl)CN1CCN(c2ccccc2)CC1 20384923 XXQIVDMNQZDYMB-QGZVFWFLSA-N 362.926 3.615 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C)cc1 29542385 ROVOXMBLELCGBP-UHFFFAOYSA-N 363.417 3.918 0 40 FHAB O=C(O)CCCn1c(/C=C/c2ccc(F)cc2)nc2ccccc2c1=O 46102235 FUMASOQXVZYVBK-FMIVXFBMSA-N 352.365 3.571 0 40 FHAB CC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccc(Cl)cc1 843754 YEFLBVQDBXYHPE-UHFFFAOYSA-N 367.796 3.746 0 40 FHAB O=C(COc1cc(Cl)ccc1Cl)NCCc1nc2ccccc2[nH]1 941166 HZFVSEUXAYUORB-UHFFFAOYSA-N 364.232 3.607 0 40 FHAB C[C@@H]1CCCCN1C(=O)CSc1nnc2c(Cl)cc(Cl)cn12 2661247 UJXQYUOVIMBPEP-SECBINFHSA-N 359.282 3.529 0 40 FHAB O=C(NC1C[C@H]2CCC[C@H](C1)N2C(=O)NC1CCCCC1)c1ccccc1 1377962 HENKLOZAHOILCD-WOJBJXKFSA-N 369.509 3.844 0 40 FHAB COc1cc(NC[C@H](O)CN(CC(C)C)CC(C)C)c2nc(C)ccc2c1 1656128 VPPTWHKMIRXDDL-IBGZPJMESA-N 373.541 3.939 0 40 FHAB Cc1cc(C)c2oc(C(=O)Nc3nnc(CC(C)C)s3)cc(=O)c2c1 2357467 MWCOZIWGBRNKQM-UHFFFAOYSA-N 357.435 3.712 0 40 FHAB COc1ccc([C@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCC3)cc1 2966414 SOJSJZGUXBEXFU-HXUWFJFHSA-N 357.861 3.609 0 40 FHAB O=C(COC(=O)c1ccccc1OC(F)F)Nc1ccccc1Cl 3573495 MCPFBBWNUWNARI-UHFFFAOYSA-N 355.724 3.737 0 40 FHAB Cc1ccc(C(=O)N2N=C3CCCC[C@H]3[C@@]2(O)C(F)(F)F)cc1Cl 4199265 UDAUADKJEUEBMD-IAQYHMDHSA-N 360.763 3.901 0 40 FHAB Cc1ccc(OCCSc2nnc(-c3ccc(Cl)cc3)n2N)cc1 4287964 WWGPPFRMSORYFJ-UHFFFAOYSA-N 360.870 3.792 0 40 FHAB CCN(CC(=O)NCc1cccs1)C(=S)Nc1ccccc1Cl 2641662 VFMWPTSFMVPQBP-UHFFFAOYSA-N 367.927 3.737 0 40 FHAB CCOc1ccc(NC(=O)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccco2)cc1 4886300 VWBHMZCLPVINSK-AYHJJNSGSA-N 369.465 3.995 0 40 FHAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccccc4)c3)C(=O)[C@@H]21 102601675 GXYFNJSDPGWKNK-MDASCCDHSA-N 360.413 3.641 0 40 FHAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccco2)cc1 6630476 UVYUUYSRERDDCV-UHFFFAOYSA-N 350.374 3.698 0 40 FHAB CC(C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 6906722 VNYDMXCLOKJNPK-HXUWFJFHSA-N 368.477 3.686 0 40 FHAB CC(=O)Nc1ccc(C(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)s1 32906485 KIAHWQJICYNLFZ-UHFFFAOYSA-N 359.451 3.943 0 40 FHAB CCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)ns2)cc1 12062961 QHHJWHGFJVFLRR-UHFFFAOYSA-N 355.419 3.865 0 40 FHAB C[C@H](NC(=O)CN1C(=O)CSc2ccccc21)c1cc2ccccc2o1 21933574 JIELDRLWGSRVKT-ZDUSSCGKSA-N 366.442 3.749 0 40 FHAB CCCCCOc1ccc(NC(=O)C(=O)NCc2ccccc2OC)cc1 59498049 UTGBMHHBHJKEBE-UHFFFAOYSA-N 370.449 3.519 0 40 FHAB O=Cc1cn(CC(=O)NC2CCCCC2)c2ccc(Br)cc12 638282 WAIVVTYCPBDRQX-UHFFFAOYSA-N 363.255 3.665 0 40 FHAB CCOc1cc(C=O)c(Br)c(Br)c1OCC 684599 PVZSNDMZMYLNQL-UHFFFAOYSA-N 352.022 3.822 0 40 FHAB CCOC(=O)c1ccccc1OS(=O)(=O)c1ccc(C)cc1Cl 25366748 FCUFZXUZINATSE-UHFFFAOYSA-N 354.811 3.593 0 40 FHAB CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3cnn(CC(F)(F)F)c3)c2C1 2803193 NQJSGQFXEUPHDD-SNVBAGLBSA-N 370.375 3.837 0 40 FHAB Cc1c(NC(=O)c2cc(C)n(Cc3cccs3)c2C)cccc1C(N)=O 42058114 TXVYXVODQOMCLR-UHFFFAOYSA-N 367.474 3.874 0 40 FHAB COc1cccc(C(=O)N[C@@H](C)c2ccc(-n3cccc3)cc2)c1OC 28303903 FDUSKUWZMDEVLS-HNNXBMFYSA-N 350.418 3.986 0 40 FHAB Cc1ccc(F)c(NC(=O)Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C)c1 24558692 PTOAKOFEBLKYGD-UHFFFAOYSA-N 367.428 3.525 0 40 FHAB Cc1cccc(CNS(=O)(=O)c2ccc(Br)cc2Cl)c1 24839890 KBKVTWUKLJQHEE-UHFFFAOYSA-N 374.687 3.889 0 40 FHAB Cc1nc(NC[C@H](O)c2cnn(C)c2)c2c(-c3ccccc3)csc2n1 78374967 ZAAKCGIWRVRBGQ-INIZCTEOSA-N 365.462 3.546 0 40 FHAB CC(=O)c1ccc(N2CCN(C(=O)C[C@H](C)c3ccccc3)CC2)c(F)c1 12510250 YUFMJNKAQLSZEE-INIZCTEOSA-N 368.452 3.871 0 40 FHAB Cc1cc(N[C@@H](C)c2ccc(F)cc2F)n2nc(C(F)(F)F)nc2n1 26693545 HQVHDHDPQMMPGQ-QMMMGPOBSA-N 357.286 3.903 0 40 FHAB Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 101615945 KZYZQVDZKFMKMI-GMNPVEAJSA-N 363.811 3.805 0 40 FHAB CC(=O)c1cc(CCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)oc1C 57722508 VSMFHIKCSWACFQ-UHFFFAOYSA-N 353.374 3.777 0 40 FHAB Cc1csc(CCNC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)n1 58228483 FQLBYIJQTZFSCU-KGLIPLIRSA-N 365.296 3.676 0 40 FHAB Cc1ccc2nc(NC(=O)COC(=O)c3ccc(F)cc3F)sc2c1 3331920 XUNGRUAUKHJAOA-UHFFFAOYSA-N 362.357 3.678 0 40 FHAB COc1ccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cn1 10741162 AGFMBSYUMWZNGP-UHFFFAOYSA-N 364.430 3.648 0 40 FHAB CCc1oc2ccccc2c1/C=C/C(=O)N1CCN(c2nccs2)CC1 11187507 JYRYYMHANZNSHE-BQYQJAHWSA-N 367.474 3.814 0 40 FHAB CC1(C)CN=C(SCC(=O)N[C@@H](c2ccccc2)c2cccs2)NC1 12766248 JXCSRKIDLLDPQP-KRWDZBQOSA-N 373.547 3.672 0 40 FHAB COCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Cl)c1 2402470 SWVWAOJYPCQPHZ-QGZVFWFLSA-N 369.804 3.638 0 40 FHAB COC(=O)c1cc(NC(=O)COc2ccc(F)c(Cl)c2)c(F)cc1F 12914486 GRORMJHPGZOGFE-UHFFFAOYSA-N 373.714 3.561 0 40 FHAB C[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)c1ccccc1 13072737 OEORBVFCNPMBEV-OAHLLOKOSA-N 353.418 3.688 0 40 FHAB Cc1c(CC(=O)NC2CC2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 4089714 OMZCGBJEDARHBM-UHFFFAOYSA-N 351.402 3.548 0 40 FHAB biogenic CC(C)C1CCC(C(=O)N[C@H](C(=O)NCc2ccccc2)C(C)C)CC1 9195313 VPSVOFINFCWBTF-MHJFOBGBSA-N 358.526 3.906 0 40 FHAB O=C(NC1CCOCC1)c1ccccc1SCc1cn2ccccc2n1 64997686 VFAAMDLDPRBLOM-UHFFFAOYSA-N 367.474 3.535 0 40 FHAB CCC(CC)NC(=O)Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O 5138248 JBJBZSLBFFTXQX-UHFFFAOYSA-N 369.490 3.738 0 40 FHAB CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccccc1Cl 4321675 WIGUDZOANXRNPN-YGRLFVJLSA-N 364.854 3.552 0 40 FHAB Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](C)c2cccnc2)c1 8708470 DJQDMRAPQRSVSA-ZDUSSCGKSA-N 351.406 3.756 0 40 FHAB CCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 6415663 ISCGPDWYUWSKTA-UHFFFAOYSA-N 371.817 3.847 0 40 FHAB CCOc1ccc([C@H]2CCCN2S(=O)(=O)c2cccc(C(C)=O)c2)cc1 14185647 SIEJZKNHDQFWDH-HXUWFJFHSA-N 373.474 3.814 0 40 FHAB Cc1ccc(-c2noc(CN(C)CC(=O)Nc3cccc(C)c3C)n2)cc1 8748371 GQVJBYIHVZLOEF-UHFFFAOYSA-N 364.449 3.732 0 40 FHAB Cc1ccc(F)c(NC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)c1 14633242 BZRFQRKGOSDUIF-UHFFFAOYSA-N 371.799 3.894 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)CSc1nc(-c2ccccc2)n[nH]1 6824177 AEBOVQQOYGYTFN-OAHLLOKOSA-N 366.490 3.701 0 40 FHAB CCN1CCC[C@@H]1CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 6881870 ASCRJOBFBPUMGA-HXUWFJFHSA-N 374.488 3.753 0 40 FHAB COc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)N2CCCC2)cc1 8869946 PQIWCGNOOOQFKI-LJQANCHMSA-N 358.869 3.916 0 40 FHAB biogenic COc1ccc(-c2noc(CN(C(=O)c3ccoc3C)C(C)C)n2)cc1 4943554 XFOVEWQHUKRQHN-UHFFFAOYSA-N 355.394 3.697 0 40 FHAB O=c1c2cc(-c3ccc(F)cc3)nn2cnn1Cc1c(F)cccc1Cl 67260026 NOJIAEFFNZBYHV-UHFFFAOYSA-N 372.762 3.538 0 40 FHAB CC(C)(CNc1nc(-c2cccs2)nc2ccccc12)N1CCOCC1 19309307 QFODGFWTFJUAGL-UHFFFAOYSA-N 368.506 3.881 0 40 FHAB Cc1ccc([C@@H](CNC(=O)COc2ccccc2C)N2CCCCC2)o1 15860177 NHIJPKHKKYTZRX-GOSISDBHSA-N 356.466 3.619 0 40 FHAB CCn1c(SCc2cc(=O)oc3c(C)c(O)ccc23)nnc1C1CC1 7618596 WVUBRNHZXRNICS-UHFFFAOYSA-N 357.435 3.588 0 40 FHAB CCC(=O)N1N=C(c2ccc(F)cc2)Sc2c1nc(C)n2C(=O)CC 16777800 HYHMWEAFLQILCP-UHFFFAOYSA-N 360.414 3.591 0 40 FHAB CCc1nc(COC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)cs1 22884375 QAVOHGJGQXNSQU-KRWDZBQOSA-N 360.479 3.512 0 40 FHAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCNC(=O)c1ccccc1 71844221 BIFNVIJKFSOBPY-SFTDATJTSA-N 364.489 3.991 0 40 FHAB COc1ccc(C2(c3nnc(-c4ccc(F)cc4)o3)CCOCC2)cc1 71889751 KGXDXSPRZOGUQI-UHFFFAOYSA-N 354.381 3.981 0 40 FHAB COc1cccc(S(=O)(=O)c2cnc3cc(F)ccc3c2Cl)c1 72329806 QPFIYIPCHWWTTO-UHFFFAOYSA-N 351.786 3.869 0 40 FHAB COc1ccc(CCCC(=O)N[C@@H]2NC(c3ccccc3)=CS2)cc1 408910494 INOWIGZFBADTLJ-FQEVSTJZSA-N 354.475 3.753 0 40 FHAB Cc1ccc(-c2cnc(CCC(=O)N[C@H](CCO)c3cccs3)o2)cc1 95426710 PZKLKQNSMSNDMF-MRXNPFEDSA-N 370.474 3.884 0 40 FHAB CC[C@@H](NC(=O)N1CCC[C@H]1c1cccn1C)c1ccc2c(c1)OCCO2 79746996 GVKNPDLISYNXHO-AEFFLSMTSA-N 369.465 3.794 0 40 FHAB CC1CCC2(CC1)OC[C@@H](CNC(=O)Cc1ccc(C(F)(F)F)cc1)O2 95991342 FMLGTDHDCRTGFY-CRPOECCBSA-N 371.399 3.686 0 40 FHAB CC(=O)c1ccc(O[C@H](C)C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 9901315 GRIUUBRKDDPJMH-OAHLLOKOSA-N 362.429 3.723 0 40 FHAB CC[C@H](C)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 409380298 BLHCBNIWYHCYFL-ORAYPTAESA-N 358.463 3.582 0 40 FHAB Cc1cccc(OCC(=O)Nc2ccccc2C(=O)NCC(C)C)c1C 27378041 ZRARZOJFLVJZHP-UHFFFAOYSA-N 354.450 3.707 0 40 FHAB COc1ccc(F)cc1S(=O)(=O)N[C@@H](C)c1cc(C)c(C)cc1C 22540406 PAPVXNBNWAVJNT-AWEZNQCLSA-N 351.443 3.799 0 40 FHAB COc1ccc(CCC(=O)N[C@@H](C)COc2ccc(C)cc2)cc1OC 67086456 OUXSYXRANWHYCF-INIZCTEOSA-N 357.450 3.529 0 40 FHAB COc1cccc(-c2[nH]ncc2C(=O)NCc2ccc(F)c(Cl)c2)c1 72329225 GZCFASRERFRLCR-UHFFFAOYSA-N 359.788 3.808 0 40 FHAB C[C@H]1Cc2cc(Cl)ccc2N1C(=O)c1c(C(F)F)nc2cnccn12 1540143832 XCYQZPHQZHVTMN-VIFPVBQESA-N 362.767 3.912 0 40 FHAB Cc1ccc(CSc2nnc(CNC(=O)c3ccccc3C)n2C)cc1 33777429 LPMBLKUIHIPJII-UHFFFAOYSA-N 366.490 3.654 0 40 FHAB CC(C)Oc1ccccc1CNCc1cc(-c2ccccc2)cn2nnnc12 72392675 FSTVTVSAODSJQE-UHFFFAOYSA-N 373.460 3.868 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCCc1ccccc1OC 216418603 OMCJSJIDTWQFGI-IBGZPJMESA-N 357.450 3.610 0 40 FHAB COC(=O)c1ccc(NC(=S)Nc2ccc(OC)c(Cl)c2)cc1 71761824 FBFZJSKNBFUSKB-UHFFFAOYSA-N 350.827 3.944 0 40 FHAB Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@H](CC(C)C)c1ccccc1 216281851 UMDIYLLRKVJDAZ-LJQANCHMSA-N 374.506 3.884 0 40 FHAB CCOc1ccc(C(=O)N[C@@H](C)COC)cc1COCc1ccccc1 224753599 VDOQJJCAOZLOPB-INIZCTEOSA-N 357.450 3.567 0 40 FHAB CCc1ccc(NC(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)cc1 224145143 QIMLXUHDAXDVOB-UHFFFAOYSA-N 368.485 3.739 0 40 FHAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc(F)cc1 224442510 CQNVLAISELKLHG-MRXNPFEDSA-N 351.805 3.832 0 40 FHAB COCc1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2[nH]1 44890953 YZXZLWFHFWLXFD-UHFFFAOYSA-N 360.211 3.724 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc3nc(C)c(C)c(C)n3n2)cc1F 40119207 URDWUQAQCKKIQG-CYBMUJFWSA-N 373.457 3.616 0 40 FHAB COc1cccc(-c2noc(CNC(=O)Nc3ccc(Cl)cc3)n2)c1 41153525 IHIFTUBQNAJKIE-UHFFFAOYSA-N 358.785 3.720 0 40 FHAB CSc1ccc(CC(=O)OC2CN(c3nc4ccccc4s3)C2)cc1 77200632 YZVWOLRERHFSQB-UHFFFAOYSA-N 370.499 3.993 0 40 FHAB CN(CC(=O)NC1CCCC1)c1nc2c(C(F)(F)F)cccc2s1 75162183 KVCLBKFXJSLASG-UHFFFAOYSA-N 357.401 3.810 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C 224776314 APDPZWCSEBMPIO-LJQANCHMSA-N 366.505 3.789 0 40 FHAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1nc(-c2cccs2)no1 223003031 CYDILNAPTJXSKW-HNNXBMFYSA-N 371.462 3.889 0 40 FHAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C)c1 224538906 OYCRHGNMFQQLHK-RTBURBONSA-N 364.474 3.606 0 40 FHAB COC(=O)c1cccc(NC(=S)N[C@H](C)COc2ccccc2C)c1C 225635834 UEDVPCINMSGAKH-CQSZACIVSA-N 372.490 3.844 0 40 FHAB CC(C)(C)c1cnc(NC(=O)NC2CCN(Cc3ccccn3)CC2)s1 331783698 FAYKUJOQKHQIEF-UHFFFAOYSA-N 373.526 3.622 0 40 FHAB O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)c1cc(-c2cccnc2)c2cnccc2n1 247501516 QCCBFEPXRKFKDO-ZOBUZTSGSA-N 358.445 3.858 0 40 FHAB CCCn1ncc(CN2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@H]3C2)c1C 247853072 WQBSKAJHYXKTIA-BULFRSBZSA-N 371.500 3.860 0 40 FHAB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCC4=C4CCC[C@H]4[C@H]3C2=O)cc1 253489363 DZPGNKNDQDGSDR-UAFMIMERSA-N 365.429 3.628 0 40 FHAB CN(C)Cc1cn(-c2ccccc2C(=O)NCc2ccc(Cl)cc2)cn1 257298242 RKVBTYLSLGUYSG-UHFFFAOYSA-N 368.868 3.517 0 40 FHAB CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@@H]1CCCCCN2Cc1coc(C)n1 257263075 LOHACAUADQCCIK-FKBYEOEOSA-N 367.493 3.742 0 40 FHAB CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(SC)CC1 601864176 KLFOJSDIJDLBFY-ZDUSSCGKSA-N 364.490 3.909 0 40 FHAB CC(C)Oc1cccc(C(=O)[C@@H](Br)CBr)c1 382673288 FUCSZNMXKNAYMV-NSHDSACASA-N 350.050 3.815 0 40 FHAB O=S(=O)(NCc1ccc(-c2ccoc2)nc1)c1ccc(F)c(Cl)c1 390829910 HKZKANXXASMOAM-UHFFFAOYSA-N 366.801 3.613 0 40 FHAB Cn1ccc(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)c1 675635986 OARYHVKWUAGWSJ-UHFFFAOYSA-N 352.463 3.563 0 40 FHAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1cnn2cccnc12 58364754 HZHNEJLOIAHRJK-UHFFFAOYSA-N 362.364 3.591 0 40 FHAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2nc(N3CCCC3)ncc2Cl)o1 56457418 XDLBWJSUAKFTFT-OCCSQVGLSA-N 374.872 3.719 0 40 FHAB CCN(CC)[C@@H](CNC(=O)Nc1ccc(N(C)C)cc1)Cc1ccccc1 72280565 UGAQJLKMVIAPLH-OAQYLSRUSA-N 368.525 3.827 0 40 FHAB O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCCOC1 79608924 LTMQBGJUWORCQW-SECBINFHSA-N 352.645 3.568 0 40 FHAB Cc1ncncc1C(=O)N1CCC[C@@]12CN(c1cccc(F)c1)C(C)(C)C2 1615159986 WCIUQAQKWAETDD-OAQYLSRUSA-N 368.456 3.588 0 40 FHAB Nc1c(C(=O)Nc2cccc(F)c2)sc2nc3c(cc12)C(=O)CCC3 5271448 BFMAPEOBBINCDN-UHFFFAOYSA-N 355.394 3.789 0 40 FHAB COc1ccc(-c2c(C)nn3c(NC[C@@H]4CCCO4)c(C)c(C)nc23)cc1 12113354 BXUPZAPARBOATF-SFHVURJKSA-N 366.465 3.921 0 40 FHAB C[C@@H](Sc1nnc(NCCc2cccs2)s1)C(=O)NC(C)(C)C 14703996 HUXYKLFSSDUUDU-SNVBAGLBSA-N 370.569 3.650 0 40 FHAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(Cl)c1Cl 15989321 YONSKNAFWRWYRG-CQSZACIVSA-N 367.232 3.899 0 40 FHAB COc1ccc(-c2cc(=O)[nH]c(NC(=N)Nc3cccc(C)c3C)n2)cc1 17074745 LCQBFKLSAAZOAJ-UHFFFAOYSA-N 363.421 3.521 0 40 FHAB COCCC(=O)NC1CCN(CC2(c3ccc(C)cc3)CCCCC2)CC1 19208541 ZGBDPLSCVISGAQ-UHFFFAOYSA-N 372.553 3.814 0 40 FHAB Cc1nc(C)n(C[C@H](C)C(=O)Nc2ccc(-c3ccc(F)cc3)cc2)n1 19285949 BLXIAUIVDOFFGH-ZDUSSCGKSA-N 352.413 3.976 0 40 FHAB CN(C)[C@H](CNC(=O)Cc1cccc2cccnc12)c1cccc(Cl)c1 19662688 LDQOKVPRFIOICP-LJQANCHMSA-N 367.880 3.850 0 40 FHAB CC(C)Cc1nc2ccccc2n1CC(=O)N[C@@H]1CCOc2ccccc21 19666622 NQEHKBFQOHIVLY-QGZVFWFLSA-N 363.461 3.875 0 40 FHAB Cc1ccc(-c2ncc(CN3CCC(Cn4ccnc4C)CC3)cn2)cc1 19715866 IVYOSHFWWYEAMQ-UHFFFAOYSA-N 361.493 3.869 0 40 FHAB Cc1cc2c(cc1Cl)C=CC1(CCN(CC(=O)N3CCCC3)CC1)O2 12187976 ZMWRNKFQAHYHRA-UHFFFAOYSA-N 360.885 3.511 0 40 FHAB COc1cc2c(cc1OC)[C@@H](C1=CCCOC1)N[C@@H](c1ccc(C)cn1)C2 19216046 GTZUFBRNLOVYSV-DENIHFKCSA-N 366.461 3.682 0 40 FHAB Cc1cccc(-n2c(C)nnc2S[C@@H](C)C(=O)N2CCC(C)CC2)c1 4500573 SKYJIZXBGGHFSQ-HNNXBMFYSA-N 358.511 3.623 0 40 FHAB CCc1ccc2c(CSc3nnnn3-c3ccccc3)cc(=O)oc2c1 5652116 NPMVGHHUIXTNNZ-UHFFFAOYSA-N 364.430 3.623 0 40 FHAB Cc1nc(C(=O)Nc2nc(-c3cccnc3)cs2)cc(C(F)(F)F)n1 1888882043 AXIBDUASRZPHKH-UHFFFAOYSA-N 365.340 3.575 0 40 FHAB O=C(Cc1ccccc1F)NC[C@@H](c1ccccc1Cl)N1CCCC1 33028460 IQWAEBDSEMVJTN-IBGZPJMESA-N 360.860 3.975 0 40 FHAB Cc1ncnc(OCC2CCN(C(=O)Cc3ccccc3Cl)CC2)c1C 1565520713 ILEPEQGNJLHBQG-UHFFFAOYSA-N 373.884 3.607 0 40 FHAB COc1ccc(-c2nc(CCNC(=O)c3cccs3)cs2)cc1OC 4167120 MSTZYTRQCHSMPR-UHFFFAOYSA-N 374.487 3.861 0 40 FHAB CC(=O)c1ccc(NC(=O)Cn2c(-c3cccnc3)nc3ccccc32)cc1 23144149 GRCLTOYGTZYBGI-UHFFFAOYSA-N 370.412 3.940 0 40 FHAB CCCCn1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1ccc(C)cc1 101113609 CWAVKIGPVFSCRS-PTGBLXJZSA-N 350.422 3.571 0 40 FHAB Nc1cccc(S[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2=O)c1 113563000 BOSQVFSGYXLWAQ-CQSZACIVSA-N 367.257 4.000 0 40 FHAB CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cc(-c3ccccc3F)on2)c1 30041759 XAEXWJOGFCHUSI-GFCCVEGCSA-N 367.380 3.930 0 40 FHAB COc1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1OC(F)F 40050401 PJKPZAFNWPAFTA-UHFFFAOYSA-N 361.341 3.545 0 40 FHAB Cn1c(=O)c(C(=O)Nc2ccc(Cl)cc2Cl)c(O)c2ccccc21 100498463 SCUAWRQKOOKITA-UHFFFAOYSA-N 363.200 3.803 0 40 FHAB Fc1ccc(Nc2nc(N3CCCCC3)c3nccnc3n2)cc1Cl 32093791 VECDQYAGFLHXJM-UHFFFAOYSA-N 358.808 3.946 0 40 FHAB Cc1cc(S[C@H](C(=O)N2CCOCC2)c2ccccc2)nc(C(C)C)n1 16454654 CLDXDFGPORGOKC-SFHVURJKSA-N 371.506 3.601 0 40 FHAB CCOc1ccc(CC(=O)OCc2nc(-c3ccccc3C)no2)cc1 11709685 XDRAPOGEGUMVSF-UHFFFAOYSA-N 352.390 3.730 0 40 FHAB COc1ccc(CN(C2CC2)S(=O)(=O)c2ccccc2Cl)cc1 8058161 GESLVYCMRUSOAG-UHFFFAOYSA-N 351.855 3.702 0 40 FHAB CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cccc(C(C)=O)c1 8168085 XYLIRQBFEDIOOI-UHFFFAOYSA-N 357.884 3.815 0 40 FHAB O=C(c1cnc([C@H]2CCCO2)s1)n1cccc/c1=N\C1CCCCC1 101827551 JDNNVCDTLKMLRI-OTUOZYHDSA-N 357.479 3.718 0 40 FHAB O=C(Nc1cc2nsnc2cc1Br)c1ccc(F)cc1 1513503 ZYFJVWLSZOOPLG-UHFFFAOYSA-N 352.188 3.845 0 40 FHAB CC(C)SC(C[C@@H](O)[C@H](O)COC(=O)c1ccccc1)SC(C)C 1593143 ABJDSNOICVLRLJ-HZPDHXFCSA-N 372.552 3.565 0 40 FHAB Cc1ccc(C(C)C)c(OS(=O)(=O)c2ccc3oc(=O)ccc3c2)c1 32755078 XVPPVXXDNQFOOY-UHFFFAOYSA-N 358.415 3.993 0 40 FHAB COc1ccc(NC(=O)COC(=O)c2oc3ccccc3c2C)c(OC)c1 3549986 ZAWOPQHCSIZODQ-UHFFFAOYSA-N 369.373 3.554 0 40 FHAB c1ccc2[nH]c(C3CCN(c4nn5cnnc5c5ccccc45)CC3)nc2c1 21798675 IRZHMVFFBJEHNP-UHFFFAOYSA-N 369.432 3.538 0 40 FHAB C[C@@H](NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1)[C@H]1C[C@H]2CC[C@H]1C2 102609196 BBSVCYAZNREFTL-UVLXDEKHSA-N 355.404 3.720 0 40 FHAB Cc1nn(C)c2ncc(C(=O)Nc3ccc(Cl)c4ncccc34)cc12 32909751 DMCCHXYBCPABTQ-UHFFFAOYSA-N 351.797 3.731 0 40 FHAB Cc1ccc(S(=O)(=O)NCc2ccccc2OC(F)(F)F)cc1C 10757163 FXZBPHTUSIABEA-UHFFFAOYSA-N 359.369 3.681 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 8993711 KWYZOGNSHILEAY-WCQYABFASA-N 363.508 3.694 0 40 FHAB CCC[C@H](C)c1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)s1 692021 QKGCHEGUPZLNHF-UONOGXRCSA-N 372.494 3.742 0 40 FHAB CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1cc(OC)ccc1OC 27975692 OUMMEPYKDLJUCA-LJQANCHMSA-N 355.434 3.989 0 40 FHAB c1ccc(-c2nc(CNCc3ccc(N4CCCCC4)nc3)cs2)nc1 47743152 ONTHCSIXXNKEJN-UHFFFAOYSA-N 365.506 3.880 0 40 FHAB O=C(CCCc1ccccc1)NCc1cccc(NC(=O)N2CCCC2)c1 54631000 NRZLFIWILDZGFX-UHFFFAOYSA-N 365.477 3.953 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1F 109423181 JCRMVIIDGFPDGQ-UHFFFAOYSA-N 364.442 3.625 0 40 FHAB Cc1ccccc1NC(=O)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 55494342 GIMWCZOUWZVFIB-LLVKDONJSA-N 367.474 3.599 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2-n2nc(C)cc2C)c1C 25013083 KBEIQOOMNNSDBP-UHFFFAOYSA-N 350.422 3.889 0 40 FHAB O=C(Cc1ccc2c(c1)CCO2)N1CCC(c2nc3ccccc3o2)CC1 25059349 TTWHTKLMCNFRDU-UHFFFAOYSA-N 362.429 3.711 0 40 FHAB Cc1cccc(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)c1C 22383294 HUGZYCLXSMUDPC-UHFFFAOYSA-N 374.506 3.832 0 40 FHAB Cc1cc(C(=O)OCc2nnsc2Cl)c(C)n1Cc1ccco1 20993678 HSZFAJADCGGYAH-UHFFFAOYSA-N 351.815 3.608 0 40 FHAB Clc1ccccc1CN1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 108531893 LYPOMTQEWBCRNY-QGZVFWFLSA-N 372.900 3.756 0 40 FHAB CN(C)CCNCC[C@]1(Cc2ccccc2Cl)CCOC(C)(C)C1 27579170 RSAJPJNXJQMVBQ-HXUWFJFHSA-N 352.950 3.999 0 40 FHAB CN(Cc1nnsc1Cl)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 108064438 KOGVMNVBQASQFP-VXGBXAGGSA-N 364.685 3.588 0 40 FHAB O=C(Nc1ccc(-c2nnco2)cc1)C1=Cc2cc(Cl)ccc2OC1 44575625 DEZSFQANZRUXQI-UHFFFAOYSA-N 353.765 3.805 0 40 FHAB O=c1oc(-c2ccccc2OC(F)F)nc2cc3c(cc12)OCCCO3 12619649 CUWZVUIXWGGYSG-UHFFFAOYSA-N 361.300 3.618 0 40 FHAB O=C(CN1CCC[C@H]1c1ccccc1)Nc1ccccc1N1CCCC1=O 10090493 QSJBYPKUGZIJTE-IBGZPJMESA-N 363.461 3.589 0 40 FHAB Cc1cccc(N2CCN(C(=O)Nc3ccccc3-n3cccn3)CC2)c1 48152108 WMQSMGCCWTZCEH-UHFFFAOYSA-N 361.449 3.535 0 40 FHAB C[C@H](NC(=S)c1cccc2ccccc12)c1ccc(S(N)(=O)=O)cc1 3338773 VZQOQVHIFRPICW-ZDUSSCGKSA-N 370.499 3.514 0 40 FHAB COc1cc(CCN(C)C(=O)C(F)(F)F)ccc1OCc1ccccc1 22063865 GJPAPPQPMSBVAD-UHFFFAOYSA-N 367.367 3.837 0 40 FHAB in-vitro O=C(OCC(=O)c1cc(F)ccc1F)c1ccc(N2CCCCC2=O)cc1 27820285 NOQQHPSLGJNCNG-UHFFFAOYSA-N 373.355 3.521 0 40 FHAB O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)NC1CCCCCC1 3312482 MSGGNBWSIZHQIS-UHFFFAOYSA-N 366.461 3.719 0 40 FHAB COc1ccccc1OCC(=O)NCCc1csc(-c2ccccc2)n1 27992576 BHBINKFRXGTCGI-UHFFFAOYSA-N 368.458 3.556 0 40 FHAB CCOC(=O)[C@](NC(=O)CC)(Nc1ccc(C(C)C)cc1)C(F)(F)F 2275312 MVJFMSVQPNFFSC-MRXNPFEDSA-N 360.376 3.570 0 40 FHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Oc1ccccc1C 28189553 YTXFQUMCKCJMQY-CQSZACIVSA-N 371.462 3.923 0 40 FHAB Cc1ccc(-n2nc(C)c(C(=O)Nc3ccc4ccccc4n3)n2)c(C)c1 48231421 IJXPELOHMLUHNH-UHFFFAOYSA-N 357.417 3.993 0 40 FHAB O=C(O)c1cccc(NS(=O)(=O)c2ccccc2-c2ccccc2)c1 58645072 NGFYBJAYWNYSBC-UHFFFAOYSA-N 353.399 3.853 0 40 FHAB Cc1ccc(Sc2ccc(S(=O)(=O)Nc3cc(C)on3)cn2)cc1 12728627 OYCACEFGVXJUGN-UHFFFAOYSA-N 361.448 3.638 0 40 FHAB COc1cc(CNc2ncnc3c2[nH]c2ccc(F)cc23)cc(OC)c1 2329214 XZNBLPJCIOOUNH-UHFFFAOYSA-N 352.369 3.880 0 40 FHAB C[C@H]1CN(Cc2ccccc2CNC(=O)CCc2ccccc2)C[C@@H](C)O1 48358536 PBKPTYQQBBPMDP-KDURUIRLSA-N 366.505 3.545 0 40 FHAB C[C@@H](NC(=O)COC(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1 3434631 AKBCUSBVLZETBG-GFCCVEGCSA-N 366.244 3.957 0 40 FHAB O=C(c1cnc(-c2ccccc2)nc1)N1CCC(c2ccc(O)cc2)CC1 69374134 MQBPXYCLEVOQBL-UHFFFAOYSA-N 359.429 3.869 0 40 FHAB CN(Cc1cccc(Cl)c1)C(=O)CSc1nnc(NC2CC2)s1 12984618 QDRBHNBCTPOFFN-UHFFFAOYSA-N 368.915 3.517 0 40 FHAB COCc1c(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)oc2ccccc12 13004845 IDOIPNZGFQSSAE-NSHDSACASA-N 366.373 3.551 0 40 FHAB COC(=O)c1ccc(NC(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)cc1 13691816 SOVXXIOAZQHOOS-UHFFFAOYSA-N 363.295 3.621 0 40 FHAB COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3cccs3)C[C@@H]21 5093508 VHEULIACULTNAH-INIZCTEOSA-N 369.490 3.722 0 40 FHAB CSc1nc2ccc(Br)cc2c(=O)n1Cc1ccco1 6141230 XLDVCPYBDZQMOD-UHFFFAOYSA-N 351.225 3.522 0 40 FHAB CCOC(=O)C1CCN(c2nc(CC)nc3c2oc2ccccc23)CC1 5157043 FRGNQUHWLFGNAV-UHFFFAOYSA-N 353.422 3.718 0 40 FHAB O=C(NCCc1nc2ccccc2n1CCc1ccccc1)c1ccco1 4386827 XBOSEZFHDCMVSF-UHFFFAOYSA-N 359.429 3.845 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)c1ccc3nc(C)sc3c1)CC2 20427070 UYEHBRXQZUQAMX-UHFFFAOYSA-N 368.458 3.820 0 40 FHAB O=C(CCc1ccccc1Cl)NCc1ccc(C(=O)N2CCCC2)cc1 25327264 UQBYBTWUMWGXJF-UHFFFAOYSA-N 370.880 3.825 0 40 FHAB Cc1ccc(O)c(-c2cc(C(=O)Nc3ccc(OC(F)F)cc3)n[nH]2)c1 5343566 URDMSXSHNKUSEG-UHFFFAOYSA-N 359.332 3.944 0 40 FHAB CCc1nnc2sc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)nn12 6451365 KHHPTIHHVKZDHI-UHFFFAOYSA-N 367.409 3.807 0 40 FHAB Cc1cccc(CN2C(=O)N/C(=C/c3cccc(Br)c3)C2=O)c1 409221002 JDBLTJBTZFIYTB-MHWRWJLKSA-N 371.234 3.850 0 40 FHAB Cn1c(SCC(=O)c2ccc(Cl)s2)nc2ccsc2c1=O 14110379 KBGSAYBKNYUKAH-UHFFFAOYSA-N 356.881 3.685 0 40 FHAB CC(=O)N1CCCCC[C@@H]1C1CCN(c2ncnc3ccccc23)CC1 69779134 NVPMYEMUOOJHHU-HXUWFJFHSA-N 352.482 3.637 0 40 FHAB C[C@H](CNC(=O)[C@H](C)n1c(S)nnc1-c1cccs1)c1ccccc1 65608377 FDFCFDQJFNLJLP-OLZOCXBDSA-N 372.519 3.776 0 40 FHAB O=C1OC(c2cccc3ccccc23)=N/C1=C\c1ccc2c(c1)OCCO2 4567652 CJNYETWLVFTPJB-PDGQHHTCSA-N 357.365 3.956 0 40 FHAB Cc1cc(C)c(S(=O)(=O)Nc2cc3c(cc2Cl)OCO3)c(C)c1 14238758 KHLRQHWLDNAOPL-UHFFFAOYSA-N 353.827 3.795 0 40 FHAB Cc1ccccc1NC(=O)C1(NC(=O)c2ccccc2O)CCCCC1 4602843 HIQKYMMPZGZBLX-UHFFFAOYSA-N 352.434 3.772 0 40 FHAB COc1cc2ccccc2cc1C(=O)OCC(=O)N[C@H]1CCCC[C@H]1C 4836146 GOVHUJNNKCRNCM-KDOFPFPSSA-N 355.434 3.700 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)N(C)Cc1ccc(Cl)s1 8767217 HNWJPHKKTROEBT-UHFFFAOYSA-N 367.854 3.650 0 40 FHAB C[C@H](NC(=O)CNC(=O)C1CCCCC1)c1cccc(C(F)(F)F)c1 8756136 YWFQQQIYQPGQFG-LBPRGKRZSA-N 356.388 3.579 0 40 FHAB Cc1cccc(C)c1NC(=O)CN[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 90167854 BXIUMDCHZYBTGY-FQEVSTJZSA-N 365.521 3.885 0 40 FHAB Cc1cccc(C)c1NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O 15585448 JUBQWJWDCDJEGC-UHFFFAOYSA-N 351.381 3.549 0 40 FHAB O=S(=O)(N[C@H]1CCSc2ccccc21)c1ccc(Cl)cc1F 15517286 KGBHUZJDLMQLDJ-ZDUSSCGKSA-N 357.859 3.995 0 40 FHAB COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 7348854 GYQCOPVDAVMHII-AWEZNQCLSA-N 370.449 3.573 0 40 FHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccccc1Br 15831622 OQPSMWNZTPFONV-HNNXBMFYSA-N 363.255 3.609 0 40 FHAB CCc1ccc(-c2n[nH]c(SCC(=O)N(C)Cc3ccsc3)n2)cc1 7770125 OSOOVOBKZKCYLR-UHFFFAOYSA-N 372.519 3.846 0 40 FHAB COc1ccc(CCC(=O)NCc2ccc(C(F)(F)F)cc2)cc1OC 16301465 YKRMZXGRIKDKMI-UHFFFAOYSA-N 367.367 3.972 0 40 FHAB Cc1ccccc1NCCC(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 84244254 IKGJBSKCGLLFEF-HNNXBMFYSA-N 351.450 3.559 0 40 FHAB O=C(Nc1cc2c(cc1Cl)OCCCO2)N(C[C@H]1CCOC1)C1CC1 95350302 SVJHPHHTLZTPDG-GFCCVEGCSA-N 366.845 3.534 0 40 FHAB COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)c1nc(-c2ccco2)sc1C 79071620 UZVSKKJKYRKCKO-CHWSQXEVSA-N 362.451 3.563 0 40 FHAB C[C@@H](c1cccc(F)c1)N1CCN([C@H](C)c2nc(C(C)(C)C)no2)CC1 89905217 ALLZXAGNALPOLH-LSDHHAIUSA-N 360.477 3.946 0 40 FHAB CCc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 408707798 MAQNLABRDIIDFE-MRXNPFEDSA-N 356.853 3.572 0 40 FHAB COc1ccc(CC(=O)Sc2nnc(Cc3ccc(OC)cc3)o2)cc1 409393042 USRGCGGYSGFXFZ-UHFFFAOYSA-N 370.430 3.539 0 40 FHAB CCCN1CCCc2cc(CCNC(=O)c3ccccc3OC)ccc21 35588081 DKJCQGNIXPKQSH-UHFFFAOYSA-N 352.478 3.830 0 40 FHAB COc1ccc(-c2cnc3n2C[C@@H]2CN(Cc4cccs4)C[C@@H]2C3)cc1 306135170 OJSVPQZBCAVOEE-IRXDYDNUSA-N 365.502 3.925 0 40 FHAB COC(=O)c1cccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c1 38753044 MQMMKZGJTVDXMR-MRXNPFEDSA-N 366.461 3.957 0 40 FHAB O=S(=O)(NC[C@@H](O)c1ccc(-c2ccsc2)s1)c1cccs1 675008377 VDCGDEYYQKVAKQ-LLVKDONJSA-N 371.530 3.550 0 40 FHAB CC(=O)c1ccc(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)cc1 35289544 DGDTXMIKWCJXHA-UHFFFAOYSA-N 371.481 3.582 0 40 FHAB CC(C)C[C@@H](C)N(C)C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 31411045 FEYKBYMOVCJKPF-QGZVFWFLSA-N 352.478 3.976 0 40 FHAB c1cnc(Nc2nccc([C@@H]3CCCN(CC4CCCCC4)C3)n2)nc1 72377842 UDFCJMSBSMAHLW-QGZVFWFLSA-N 352.486 3.770 0 40 FHAB COc1ccc(Cl)cc1C(=O)NCCCN1c2ccccc2C[C@@H]1C 225040871 HUMVBFWUQMAKEB-AWEZNQCLSA-N 358.869 3.920 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 223012923 CNFUYAPBNCSPQB-NRFANRHFSA-N 366.505 3.708 0 40 FHAB CCS(=O)(=O)Nc1cccc(C(=O)Nc2cccc3ccccc23)c1 44010786 PQYYDRGINYUCEY-UHFFFAOYSA-N 354.431 3.854 0 40 FHAB CC(C)NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 40088422 QZVVVVFPUANOTI-LLVKDONJSA-N 358.269 3.762 0 40 FHAB COC(=O)CCCCNC(=O)CCCOc1ccc(Cl)cc1Cl 48368990 SVUKNXMRSRKCKR-UHFFFAOYSA-N 362.253 3.612 0 40 FHAB Cc1ccc(CNC(=S)Nc2nc(C)cc(N3CCC[C@@H](C)C3)n2)cc1 225944723 FXLBKEZEQDKHPP-OAHLLOKOSA-N 369.538 3.816 0 40 FHAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1F 222675086 KWXPXDIMJGBMQX-INIZCTEOSA-N 370.468 3.700 0 40 FHAB O=S(=O)(Cc1c(F)cccc1Cl)NCCc1ccc(Cl)cc1 224180510 PTTURUBIYVAZHY-UHFFFAOYSA-N 362.253 3.795 0 40 FHAB COCCO[C@@H]1CCN(C(=O)c2ccccc2Nc2ccc(C)cc2)C1 581527426 DYRVSNWFIOPUKD-GOSISDBHSA-N 354.450 3.616 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 223104459 SDGLPANEOLGUGQ-IBGZPJMESA-N 372.896 3.744 0 40 FHAB CN1CCC(NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 225799822 WCYUQTGQZFCWQW-UHFFFAOYSA-N 351.825 3.739 0 40 FHAB CS(=O)(=O)Nc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1 96589035 OIEWUANJAYPUIP-UHFFFAOYSA-N 359.234 3.617 0 40 FHAB CCc1cccc(NC(=O)N2CC[C@@]3(C[C@H]3C(=O)Nc3cccnc3)C2)c1 96226897 UZQNQMCXYJPQAZ-GHTZIAJQSA-N 364.449 3.527 0 40 FHAB CCN(Cc1ccccc1)c1nn(-c2ccc(C)c(C)c2)nc1C(=O)O 256048244 RRSUPQCGGIYRBQ-UHFFFAOYSA-N 350.422 3.609 0 40 FHAB CO[C@@]1(COc2ccccc2F)CCCN(Cc2ccc(O)cc2)CC1 257310252 UEJNXLLIIRBETP-NRFANRHFSA-N 359.441 3.981 0 40 FHAB O=C(c1ccccn1)N1CCC[C@@H](c2ncc(Cc3ccccc3F)o2)C1 257219509 DHASRXWCLIKJPS-MRXNPFEDSA-N 365.408 3.819 0 40 FHAB Cc1cccc(C(=O)N2CCC[C@@H](c3ccnc(Nc4ccccn4)c3)C2)n1 257342697 ZPTREGAUMAMZRB-GOSISDBHSA-N 373.460 3.943 0 40 FHAB COc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(OC)c1C 260775099 PDQQSLDHZUSJBX-NXOUGTEYSA-N 369.490 3.997 0 40 FHAB C=CC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)[C@@H](O)CCCC3)c1 1165719116 XGFUXTWEJFQLIW-IBGZPJMESA-N 350.418 3.823 0 40 FHAB CC1=CC(C)(C)N2C(=O)[C@](O)([C@@H]3CCCCCC3=O)c3cc(C)cc1c32 1740816846 YDGOTSBKDOPUKS-ZHRRBRCNSA-N 353.462 3.874 0 40 FHAB Cc1ccc(CN2C[C@@H](C(=O)NCc3ccc(C(C)C)cc3)CC2=O)cc1 1355467097 LEOCUGZBJDFUNI-NRFANRHFSA-N 364.489 3.783 0 40 FHAB O=C(N=[S@]1(=O)CCc2ccccc21)c1ccc(C(F)(F)F)cc1O 1652351618 OHBWBUZGSPQJQM-DEOSSOPVSA-N 355.337 3.634 0 40 FHAB Cc1ccc(C(=O)Nc2c(C)cccc2C)cc1N1CCCCS1(=O)=O 5439669 ICDXHPDYFKNFIG-UHFFFAOYSA-N 372.490 3.794 0 40 FHAB CC1CCN(C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C(C)(C)C)CC1 12326752 STTTVKVONMZWIJ-FQEVSTJZSA-N 358.526 3.777 0 40 FHAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)Nc2nc3ccccc3n21 17073394 QMRLUIKHGPBIOZ-HNNXBMFYSA-N 354.797 3.520 0 40 FHAB Cc1nn(C[C@@H](C)C(=O)NC2(CN3CCCCC3)CCCCC2)c(C)c1C 19556916 YXJLAUFTKJCLLG-QGZVFWFLSA-N 374.573 3.749 0 40 FHAB O=C(CN1CCc2ccccc2C1)Nc1ncc(C(F)(F)F)cc1Cl 36447641 SZIHZFYYNWFUNF-UHFFFAOYSA-N 369.774 3.751 0 40 FHAB Cc1ccc2[nH]c(C)c(CCNC(=O)c3cc4ccccc4oc3=O)c2c1 720119 AESQSEBITWRZKE-UHFFFAOYSA-N 360.413 3.864 0 40 FHAB biogenic,in-vitro CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc(C(C)C)cc1 1066099 WNCYTPJTVBZGQZ-QGZVFWFLSA-N 358.463 3.633 0 40 FHAB O=C(NC[C@H]1CN(c2ccc(Cl)c(Cl)c2)C(=O)O1)c1cccs1 9102034 PRLFXGJBDAIYAI-JTQLQIEISA-N 371.245 3.810 0 40 FHAB Cc1cc(OC[C@H]2CCCN(c3ncnc4cc(F)ccc34)C2)ccn1 1775972686 RBLYLBXIDKYSNF-HNNXBMFYSA-N 352.413 3.768 0 40 FHAB O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1ccc2cc[nH]c2c1 206787933 SJWVYHMNVOFAEV-OAHLLOKOSA-N 374.366 3.590 0 40 FHAB COc1ccc([C@@H]2CCN(C(=O)Nc3cccc(OC)c3OC)C2)cc1 38566818 IZIWJQUINAFDPH-OAHLLOKOSA-N 356.422 3.734 0 40 FHAB Cc1cc(O[C@@H]2CCCN(C(=O)c3cc4ccccc4o3)C2)nc(C)n1 575610845 YYENSNARJBDEQZ-MRXNPFEDSA-N 351.406 3.523 0 40 FHAB O=C(Cc1ccc(Br)cc1)NCc1cncc(-c2ccoc2)c1 575620949 RYFSMBKXUYDZIM-UHFFFAOYSA-N 371.234 3.963 0 40 FHAB NC(=O)c1ccc(CNC(=O)C2(c3cccc(Cl)c3)CCCC2)cc1 40093428 BXGHBTAVYFTRQE-UHFFFAOYSA-N 356.853 3.567 0 40 FHAB O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 40073478 KWJKCWFKQJRETH-CQSZACIVSA-N 362.351 3.703 0 40 FHAB CC(C)(C)c1cn2nc(NC[C@@H](O)c3ccc(Cl)cc3)sc2n1 40059629 UWXUEHNSTVOXHI-GFCCVEGCSA-N 350.875 3.887 0 40 FHAB O=C1c2ccccc2C(=O)N1Cc1nc(-c2cc(F)ccc2F)cs1 30448403 OSNPDQCQFWRHKM-UHFFFAOYSA-N 356.353 3.885 0 40 FHAB c1ccc(Cc2nc(CN(C[C@H]3CCCO3)C[C@H]3CCCO3)cs2)cc1 40120182 MOZZRJPWRVQUSG-WOJBJXKFSA-N 372.534 3.894 0 40 FHAB O=C(Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1)c1ccc(O)nn1 40156450 SJBXTHQLZZAXQE-UHFFFAOYSA-N 365.780 3.631 0 40 FHAB COc1ccc(C(=O)Nc2nnc(-c3ccccc3F)s2)cc1OC 897624 SSUVCSXFHHMIJR-UHFFFAOYSA-N 359.382 3.614 0 40 FHAB O=C(c1cnn2c(C(F)(F)F)cc(C3CC3)nc12)N1CCc2ccccc21 2770867 SUBXWVWAFUNTNQ-UHFFFAOYSA-N 372.350 3.828 0 40 FHAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(NC(N)=O)cc1 32899202 CWCXATNYELPYLL-LLVKDONJSA-N 363.870 3.628 0 40 FHAB CC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 6415765 LJRGTFAUHPVCRY-MRXNPFEDSA-N 374.506 3.941 0 40 FHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCc2cc(C)ccc2C)c1 32945298 ISFQCVZOPXTDPG-UHFFFAOYSA-N 354.406 3.577 0 40 FHAB C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cccc(Cl)c1 32973785 HPFISSDUKGUARK-DOMZBBRYSA-N 352.862 3.917 0 40 FHAB O=C(CN1CSCC1=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 12097736 KBRUFHJLVDUKPR-UHFFFAOYSA-N 370.518 3.626 0 40 FHAB COc1ccc(-c2nsc(NC(=O)COc3cccc(C)c3)n2)cc1 12063003 BGDJSDCFYLQSNL-UHFFFAOYSA-N 355.419 3.540 0 40 FHAB COc1ccc(-c2csc(C3=C(O)CN(C(C)C)C3=N)n2)cc1OC 102731084 ZVBKAPHAJLXCNY-UHFFFAOYSA-N 359.451 3.798 0 40 FHAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1cccc(C(=O)NC)c1 33040133 OFQUUWGLEYHEDL-LSDHHAIUSA-N 353.466 3.999 0 40 FHAB Cc1ccc(NC(=O)c2nc3c4c5c(sc4ncn3n2)CCC5)c(C)c1 2797585 FWAWZWRWNURBQR-UHFFFAOYSA-N 363.446 3.697 0 40 FHAB Cc1cccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2C)c1 8412557 YWFXTANZDPQXJL-UHFFFAOYSA-N 368.433 3.594 0 40 FHAB CCn1c(SCCCOc2cccc(C(=O)O)c2)nnc1C(C)(C)C 8731790 MUVMMHZHVDYGEE-UHFFFAOYSA-N 363.483 3.855 0 40 FHAB COC(=O)c1c(NC(=O)COc2ccccc2C)sc2c1CC[C@H](C)C2 729935 XIWFGPSVCRKJCQ-LBPRGKRZSA-N 373.474 3.985 0 40 FHAB CCc1ccc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 23879751 RSKMDBAYMAOLMC-GOSISDBHSA-N 352.482 3.587 0 40 FHAB CC(C)COC(=O)c1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1 107576177 ZNYFQGBBXZTBFV-WQRHYEAKSA-N 367.376 3.983 0 40 FHAB COc1ccc(-c2noc(CCC(=O)Nc3c(C)cccc3C)n2)cc1 21029261 SMMDXSUSCBCNEU-UHFFFAOYSA-N 351.406 3.933 0 40 FHAB Cc1cn2c(CC(=O)Nc3ccc(OC(F)(F)F)cc3)csc2n1 24755202 SRZDCTFGWFICMG-UHFFFAOYSA-N 355.341 3.784 0 40 FHAB Cc1cccc(C)c1/C=C/C1CCN(CCNC(=O)c2cccnc2)CC1 34648155 CFOCHYUBEKZKHZ-CMDGGOBGSA-N 363.505 3.854 0 40 FHAB c1ccc2c(c1)nc1n2C2(CCCC2)NC2=NCN(C3CCCCC3)CN21 20676416 JRUNVRFBVHFKRT-UHFFFAOYSA-N 364.497 3.592 0 40 FHAB COc1c(F)cc(NCC(=O)Nc2ccccc2Br)cc1F 55893607 LYVBJXYVYRGJHI-UHFFFAOYSA-N 371.181 3.787 0 40 FHAB CC(C)Cn1nc(C(=O)N[C@H](C)c2cccs2)c2ccccc2c1=O 43545192 WUKVOZQLIXGUDL-CYBMUJFWSA-N 355.463 3.605 0 40 FHAB COc1ccc([C@@H]2CCCN2Cc2nc(O)c3sccc3n2)c(OC)c1 35306343 JQDOGRJZJZCWDO-HNNXBMFYSA-N 371.462 3.751 0 40 FHAB Cc1cc2nc(NC[C@@H](O)c3ccc(Cl)cc3)c3ccccc3n2n1 26704296 CLONBRTVVTYVOO-QGZVFWFLSA-N 352.825 3.990 0 40 FHAB O=C(NC[C@H]1CC[C@H](c2ccnc(Nc3ccccn3)n2)CC1)C1CCC1 100707543 BVYWEJGWUMPHKE-IYBDPMFKSA-N 365.481 3.805 0 40 FHAB CCN(c1cccnc1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 57874928 VWBNOWRBWUNLJP-UHFFFAOYSA-N 364.776 3.969 0 40 FHAB CCOC(=O)c1[nH]c(C)c(C(=O)NCCCn2ccc3ccccc32)c1C 12528403 DKPATFNMJXJASV-UHFFFAOYSA-N 367.449 3.583 0 40 FHAB COc1ccc(C(=O)[C@H](C)OC(=O)c2cnn(-c3ccccc3)c2C)cc1 12587024 XAXVRACSBAGCEB-HNNXBMFYSA-N 364.401 3.618 0 40 FHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC1CCCCC1 10042807 HVONMMZSTADINY-UHFFFAOYSA-N 350.466 3.881 0 40 FHAB Cc1nc(C)c2c(C)c(C(=O)NC3(c4noc(C)n4)CCCC3)sc2n1 58208999 NBNRYAPFVIIBSK-UHFFFAOYSA-N 371.466 3.507 0 40 FHAB CCc1ccccc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)CC 20448994 RCKHHMAHYZMXAO-CQSZACIVSA-N 372.490 3.602 0 40 FHAB Cc1c(-c2ccncc2)n[nH]c1NC(=O)c1cnc(OC(C)C)c(Cl)c1 58305027 VSEPXVVIPSZYCO-UHFFFAOYSA-N 371.828 3.868 0 40 FHAB CCCCCn1c(O)c(C(=O)Nc2ncc(C)s2)c(=O)c2ccccc21 2271440 PDQLFKUHFIZEAH-UHFFFAOYSA-N 371.462 3.915 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)c2nc(-c3ccccc3)no2)c1C 12613444 GBRGUBADPOXHGK-CYBMUJFWSA-N 353.378 3.802 0 40 FHAB CCc1ccc([C@@H](NC(=O)[C@H]2Cc3ccccc3C(=O)O2)C(C)C)cc1 36784031 QLCOTQRHHHNURF-UXHICEINSA-N 351.446 3.844 0 40 FHAB O=C(NCC(F)(F)F)c1cccc(NC(=O)c2cccc3cccnc23)c1 11458527 RMTIGOIHXAOAFH-UHFFFAOYSA-N 373.334 3.779 0 40 FHAB O=C(CSc1nc(CC2CCCC2)n[nH]1)N[C@H]1CCCc2ccccc21 11500549 ZOTNIFLPIBCWGU-KRWDZBQOSA-N 370.522 3.823 0 40 FHAB Cc1cccc(N2C(=O)C(Cl)=C(N[C@@H](C)c3ccccc3)C2=O)c1C 12635700 MYJFANKWZWVVMG-AWEZNQCLSA-N 354.837 3.978 0 40 FHAB COC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1C(C)C 3329170 YOOVQXHKZNRZMO-UHFFFAOYSA-N 368.462 3.718 0 40 FHAB COc1cc(C(=O)NCc2cccc(COC(C)C)c2)cc(OC)c1OC 48344686 MPLCDHJGEYBIPW-UHFFFAOYSA-N 373.449 3.567 0 40 FHAB C[C@@H]1CN(Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)C[C@@H](C)O1 12819509 MUSLEOHAUVDLFB-VXGBXAGGSA-N 365.886 3.658 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc2sc3ccccc3n12 3495618 TUHNEKVVRFOHIP-NEPJUHHUSA-N 360.508 3.731 0 40 FHAB COc1ccc(S(=O)(=O)NCc2cccc3ccccc23)cc1Cl 63764444 FRDCLSCYLWFLRR-UHFFFAOYSA-N 361.850 3.980 0 40 FHAB CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2F)cc1C 62581985 KOSVZZXDAVZXHH-UHFFFAOYSA-N 370.833 3.801 0 40 FHAB CCCOc1ccc(C(=O)CCC(=O)NCc2nc3ccccc3[nH]2)cc1 8725182 STETYSXGEJKLNY-UHFFFAOYSA-N 365.433 3.631 0 40 FHAB NC(=O)[C@H](OC(=O)c1ccccc1COc1ccccc1)c1ccccc1 12934932 LZTUYDUMYZGSRN-HXUWFJFHSA-N 361.397 3.649 0 40 FHAB C[C@H]1CCCN(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)C1 13123799 WRTCISIIQXKECH-LBPRGKRZSA-N 356.451 3.569 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc(-c3csc(C)c3)n2C)c1 17074019 GYWYXHPFPVDMAI-UHFFFAOYSA-N 358.492 3.891 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)cc1 5120098 DNVZTZREFSAICF-HNNXBMFYSA-N 372.490 3.634 0 40 FHAB CCOC(=O)c1c(NC(=O)CCSC(C)=O)sc2c1CCCCC2 4350938 WZVGQMRAUSEDLK-UHFFFAOYSA-N 369.508 3.802 0 40 FHAB O=C(Nc1ccncc1)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O 5270857 HFUBQIRSJKNXER-UHFFFAOYSA-N 374.227 3.851 0 40 FHAB C[C@@H](OC(=O)c1cccc(Br)c1)c1nc2ccccc2c(=O)[nH]1 5355025 CAAMUMXBXXMWOW-SNVBAGLBSA-N 373.206 3.604 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1cc2c(s1)CCC2 4581564 NYAVIMRXUVPLBD-CQSZACIVSA-N 357.475 3.531 0 40 FHAB Cc1occc1C(=O)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F 4676795 CPFXYZZRJNUIPJ-HNNXBMFYSA-N 372.730 3.743 0 40 FHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(OC(F)(F)F)cc1 6652563 WUYSPNQVJWONKD-HNNXBMFYSA-N 368.355 3.745 0 40 FHAB COCCn1c(C)cc(C2=NN=C(Nc3ccc(C)cc3)SC2)c1C 6830403 NLSRVFYGQYLHDT-UHFFFAOYSA-N 356.495 3.979 0 40 FHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1cccc(OC(C)C)c1 113943043 FVBBHANLJGCUMK-FQEVSTJZSA-N 357.450 3.956 0 40 FHAB Cc1cccc(NC(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)c1 15497811 DGAQNAXELCLXIF-UHFFFAOYSA-N 373.884 3.877 0 40 FHAB CNc1nnc(S[C@H](C)C(=O)c2ccc(Br)cc2)s1 7102469 XNYHJQGYKRKVBQ-SSDOTTSWSA-N 358.286 3.706 0 40 FHAB CCNc1nnc(S[C@H](C(=O)N(CC)CC)c2ccccc2)s1 7248799 BTMBCJXYSLROEB-ZDUSSCGKSA-N 350.513 3.672 0 40 FHAB CONC(=O)c1cc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2s1 17821787 FFGHYMLUVIUEBD-UHFFFAOYSA-N 355.341 3.705 0 40 FHAB CCOc1ncccc1C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 8755559 GJROGGJNFQMYII-UHFFFAOYSA-N 368.433 3.794 0 40 FHAB O=S(=O)(NC[C@@H](O)c1cccc2ccccc12)c1ccc(Cl)cc1 70761503 SUANANGZGPCLLO-GOSISDBHSA-N 361.850 3.505 0 40 FHAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1cccc2cccnc12 16142918 KWTPDHOKSIWJMH-UHFFFAOYSA-N 373.456 3.791 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(F)c(F)c1 7823891 BSAFLWXSZRVMJL-UHFFFAOYSA-N 355.388 3.756 0 40 FHAB CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccccc1OC 9210071 QRBYREZWVVIYSL-UHFFFAOYSA-N 364.445 3.898 0 40 FHAB C[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NC[C@H]1CCCO1 9495045 LTLYICMHFHKMGZ-MWLCHTKSSA-N 356.900 3.726 0 40 FHAB CCC(=O)NC(=S)Nc1ccc(-c2nc3cc(CC)ccc3o2)c(O)c1 408627167 KYYYDMRUMGUSRA-UHFFFAOYSA-N 369.446 3.986 0 40 FHAB CCN(CC)c1ccc2cc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(=O)oc2c1 408806308 MOGKDNNWXZTPDH-KBXCAEBGSA-N 356.466 3.948 0 40 FHAB O=C(CCc1nc(-c2ccncc2)no1)Nc1cccc(C(F)(F)F)c1 9699721 XEWCTCMBCHHFDH-UHFFFAOYSA-N 362.311 3.722 0 40 FHAB O=C(COc1ccccc1)Nc1ccc2c(c1)C(O)=Nc1cccnc1O2 79482192 NYEQCFZDODKOLG-UHFFFAOYSA-N 361.357 3.841 0 40 FHAB COc1ccccc1NC(=O)NCCSCc1ccnc(Cl)c1 95462230 RBMBUGMKHUUHNG-UHFFFAOYSA-N 351.859 3.799 0 40 FHAB Cc1cc(C(=O)OCc2ncc(C)o2)c2ccc(Br)cc2n1 95962705 IQNSVXHMYDOMCL-UHFFFAOYSA-N 361.195 3.959 0 40 FHAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 22192981 ZUBJRNAFJGTWOO-ZDUSSCGKSA-N 372.852 3.947 0 40 FHAB CCn1cc(C(=O)N[C@@H](C)c2ccccc2)c(=O)c2cc(OC)ccc21 22235690 SQXKVBZFPSZONX-AWEZNQCLSA-N 350.418 3.521 0 40 FHAB CC(C)(c1ccc2c(c1)OCCO2)c1nc(-c2ccc3c(c2)OCO3)no1 545586470 QCQSWHVDWYRYML-UHFFFAOYSA-N 366.373 3.562 0 40 FHAB COc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2)cc(OC)c1O 32102055 SIJIPCYTFHCRFO-AWEZNQCLSA-N 365.389 3.719 0 40 FHAB CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3C(C)(C)C)c2c(Cl)cccc21 32092669 KWEBMJRPFBQWCW-SFHVURJKSA-N 358.829 3.546 0 40 FHAB C[C@@]1(NC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)CCCc2ccccc21 1519900801 BFENFKOQYLBHRA-PZJWPPBQSA-N 370.399 3.826 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)COc2ccc(C(C)C)cc2)cc1 218961096 WQOSAMIWTUSCMV-MRXNPFEDSA-N 357.450 3.781 0 40 FHAB CN(Cc1coc(-c2ccc(F)cc2)n1)C[C@@H]1COc2ccccc2O1 37162757 FOMKDQKFGKAGJB-QGZVFWFLSA-N 354.381 3.753 0 40 FHAB Cc1ccc(C)c(CSc2nnc3n(C)c(=O)c4sccc4n23)c1 35529206 XRUGOSHBLBBWLG-UHFFFAOYSA-N 356.476 3.552 0 40 FHAB Cc1nnsc1C(=O)NCc1nc(-c2ccc(Cl)cc2)cs1 72243347 CMUWBUNQIJUWMB-UHFFFAOYSA-N 350.856 3.553 0 40 FHAB COCc1cccc(NS(=O)(=O)c2cc3c(cc2OC)CCCC3)c1 225188100 ABPDXAFPQXSZKC-UHFFFAOYSA-N 361.463 3.521 0 40 FHAB CN(C)c1nc(N2CCCCC2)ncc1NC(=O)Nc1ccccc1Cl 224145665 HJUSJWQMLOTVGQ-UHFFFAOYSA-N 374.876 3.830 0 40 FHAB CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224897931 SOHNIQGZLWVJCB-UHFFFAOYSA-N 370.833 3.653 0 40 FHAB COc1ccc(CNC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1 44843296 ZJESPBWFDAQDHP-ZDUSSCGKSA-N 361.463 3.509 0 40 FHAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)[nH]1 224621634 VGZVVPHWGXIBDJ-MSOLQXFVSA-N 350.447 3.601 0 40 FHAB COc1ccc(CN2CC[C@]3(CCCN(C(=O)c4cccs4)C3)C2)cc1 96047021 GZSDCSKNJIVVJA-OAQYLSRUSA-N 370.518 3.885 0 40 FHAB CC[C@H](c1cccc(OC)c1)N(C)Cc1cc(=O)n2cccc(C)c2n1 585083852 BERQEZRCYMJSQZ-LJQANCHMSA-N 351.450 3.595 0 40 FHAB COc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1OC 260766062 IUVZXXMQAHBBTI-OCBCSQNSSA-N 355.463 3.688 0 40 FHAB CCn1nc(C)cc1C(=O)Nc1cc(O[C@@H](C)c2ccccc2)ccn1 622160337 QWJDAKCUAWYLBM-HNNXBMFYSA-N 350.422 3.999 0 40 FHAB C[C@]1(CNC(=O)c2cccc(NCc3cncs3)c2)CCO[C@@H]1C1CC1 1123789625 MVYWMUVKXIWZKI-UYAOXDASSA-N 371.506 3.690 0 40 FHAB Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1cccc(C(F)(F)F)c1 1185854188 LVSFEVZMFWTJEM-MRXNPFEDSA-N 355.381 3.980 0 40 FHAB CO[C@](C)(CNS(=O)(=O)/C=C/c1ccccc1)c1cccc(Cl)c1 96392798 XEQHCLIIIYHYLV-IENJSVCTSA-N 365.882 3.792 0 40 FHAB Cc1cccc(Cc2sc(N3C(=O)N[C@@](C)(CCF)C3=O)nc2C)c1 656572652 DJAXFILUBBUCKC-SFHVURJKSA-N 361.442 3.525 0 40 FHAB CSc1cccc(NC(=O)c2ccc(OCc3noc(C)n3)cc2)c1 45795167 SISRHGVYMLKVNC-UHFFFAOYSA-N 355.419 3.931 0 40 FHAB NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1)CCC2 5013241 PHZCCBRMYGOIDD-DTQAZKPQSA-N 372.424 3.754 0 40 FHAB COc1ccc(/C=C/C(=O)NCc2ccccc2CN2CCCC2)cc1 8011586 VFHHVPFMNRALHG-JLHYYAGUSA-N 350.462 3.621 0 40 FHAB O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 5598885 SBZNKYDWKLQXGT-UHFFFAOYSA-N 368.418 3.526 0 40 FHAB CO[C@H](C(=O)N1CCC(c2ccc3c(c2)OCO3)CC1)c1ccccc1 12114004 NMIZLKINVAIVFX-FQEVSTJZSA-N 353.418 3.509 0 40 FHAB Cc1ccc(CNC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc1 12890921 IQCKGRJTLCJHLX-UHFFFAOYSA-N 362.477 3.856 0 40 FHAB O=C(NCc1cccc(Cl)c1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 15513845 AKZQZGHWQAVUBK-ZDUSSCGKSA-N 363.244 3.663 0 40 FHAB Cc1nc2c(c(N(C)Cc3ccccc3)n1)CCN(Cc1ccccc1)C2 19286150 ASSFRVYYBZLKPA-UHFFFAOYSA-N 358.489 3.980 0 40 FHAB CC(C)CC[C@H](C)NC(=O)c1ccccc1S[C@H]1CCS(=O)(=O)C1 19309895 QGKSJWCFNITJQO-GJZGRUSLSA-N 369.552 3.520 0 40 FHAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1ccccc1Cl 19937609 RYJGLMNJLUETLQ-UHFFFAOYSA-N 374.227 3.925 0 40 FHAB NC(=O)/C=C/c1cc(Cl)c(OCc2cccnc2)c(Br)c1 226341750 NZTZFJBDWOTTOT-ONEGZZNKSA-N 367.630 3.575 0 40 FHAB CNC1CCC2(CC1)CN(Cc1ccccc1OC)Cc1ccccc1O2 19592018 PBWHYNPVMFCBAN-UHFFFAOYSA-N 366.505 3.991 0 40 FHAB CC(C)[C@H]1COc2ccc(Cl)cc2C(=O)C[C@H](C(=O)O)CC(=O)C1 2037912788 FOBDGOXMITYNME-VXGBXAGGSA-N 352.814 3.628 0 40 FHAB C[C@@H](C(=O)OCCCCCC(=O)O)c1ccc(C[C@@H]2CCCC2=O)cc1 2061000692 LYITVTONQYWYCP-QAPCUYQASA-N 360.450 3.890 0 40 FHAB CCOc1ccccc1C(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1 5441883 OQFXDFDSCZTNPB-UHFFFAOYSA-N 368.433 3.863 0 40 FHAB O=C(Cn1c(-c2ccccn2)nc2ccccc21)N1CCc2ccccc21 23144095 XHXMGJLSOLXJPQ-UHFFFAOYSA-N 354.413 3.688 0 40 FHAB Cc1cc2ncnc(N3CCC(c4noc5cc(F)ccc45)CC3)c2[nH]1 2086868967 LBSBAZXAGCFSRI-UHFFFAOYSA-N 351.385 3.931 0 40 FHAB O=C(NCCn1nc(C2CC2)cc1C1CC1)c1ccccc1Br 585300327 VKQKTXMMLWLWRS-UHFFFAOYSA-N 374.282 3.830 0 40 FHAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(N(C)C)cc1 4135334 QEYRDUWQWWGPKQ-UHFFFAOYSA-N 352.390 3.928 0 40 FHAB Cc1ccc(-n2nnnc2SCc2cc(Cl)cc3c2OCOC3)cc1 8282748 XULMAEFOQMPHNO-UHFFFAOYSA-N 374.853 3.783 0 40 FHAB COc1cc(NC(=O)N[C@@H]2CCCc3ccccc32)cc(OC)c1OC 40023764 INKBYVZEEKCVQL-MRXNPFEDSA-N 356.422 3.912 0 40 FHAB COc1cc(CNCCCNc2ccc(C(F)(F)F)cn2)cc(OC)c1 40088640 ILMRJDZABBFRMQ-UHFFFAOYSA-N 369.387 3.709 0 40 FHAB O=C1c2ccccc2N[C@@]2(C(=O)Nc3ccccc32)N1CCc1ccccc1 100139705 DPABLEFNAAPVDF-HSZRJFAPSA-N 369.424 3.602 0 40 FHAB CCC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc2nccnc2c1 11692667 RIVASVMGETXSCE-FQEVSTJZSA-N 360.417 3.726 0 40 FHAB CCCCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3ncnn32)cc1 4342125 NVFWJTVITMDOIM-GOSISDBHSA-N 370.453 3.698 0 40 FHAB COCCn1c(SCC(=O)c2ccc(C)cc2C)nnc1-c1ccco1 4882203 CMZHQINOEZPWLG-UHFFFAOYSA-N 371.462 3.776 0 40 FHAB CCCCCC1=NN(C(=O)COc2ccccc2C)[C@](O)(C(F)(F)F)C1 4904987 GARYOXYQLRESAD-QGZVFWFLSA-N 372.387 3.793 0 40 FHAB COc1ccc(NC(=O)NC2(C(=O)N3CCC(C)CC3)CCCCC2)cc1 4981997 AAKYHLMLRSDKKA-UHFFFAOYSA-N 373.497 3.778 0 40 FHAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4ccccc4c3)ccc21 7323268 CPLCBMDPEZTQPX-UHFFFAOYSA-N 366.442 3.550 0 40 FHAB Cn1/c(=N\C(=O)/C=C/c2ccc(OC(F)F)cc2)sc2ccccc21 103040185 BMYNCBSBIFRZHS-BELSXCJESA-N 360.385 3.982 0 40 FHAB CC1(C)CC2=Nc3nonc3N[C@@H](c3ccc4nccnc4c3)C2=C(O)C1 102752835 LIAWXFQDQMAVOJ-INIZCTEOSA-N 362.393 3.884 0 40 FHAB CC(C)(C)C1CCC(OC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 102813160 MNWJXKPPRZYIBL-GQGLESIBSA-N 363.498 3.700 0 40 FHAB O=C(COc1ccc(F)cc1Cl)NCCOc1ccc(Cl)cc1 8070178 YBLLOFKXONIPGW-UHFFFAOYSA-N 358.196 3.707 0 40 FHAB Cc1cc(NC(=O)COC(=O)c2ccccc2)c(C)cc1Br 8433624 YYCABNPSGYYALK-UHFFFAOYSA-N 362.223 3.861 0 40 FHAB Cc1cccc(C2(O)CCN(C(=O)c3cc(Cl)ccc3O)CC2)c1C 76088833 OAYXWIPDKUIHCQ-UHFFFAOYSA-N 359.853 3.786 0 40 FHAB O=C(NCc1ccccc1)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 646290 WJYTZHVSSVRXQQ-MRXNPFEDSA-N 372.730 3.827 0 40 FHAB CCc1cc2c(N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)ncnc2s1 784786 IHQWTPNYEXSLAE-INIZCTEOSA-N 366.446 3.843 0 40 FHAB O=CNc1c(Br)cc(Br)cc1Br 707811 CNORRCOAHWUWLT-UHFFFAOYSA-N 357.827 3.542 0 40 FHAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C)cc2)N2C(=O)CCSC2=N1 1018954 VCZIYARCBROZLU-KRWDZBQOSA-N 358.463 3.597 0 40 FHAB c1ccc(CN2CCN(c3ncnc4sc5c(c34)CCC5)CC2)cc1 54959770 PGUNLHPDPRSDGV-UHFFFAOYSA-N 350.491 3.502 0 40 FHAB NC(=O)CSc1ccccc1NC(=O)N(Cc1cccc(F)c1)C1CC1 47516702 UJFAUBUMBDUGMC-UHFFFAOYSA-N 373.453 3.600 0 40 FHAB O[C@H](COc1ccc2ccccc2c1)CSc1nnc2n1CCCCC2 61716043 KWCYXPAVEFOYBT-QGZVFWFLSA-N 369.490 3.690 0 40 FHAB CCCN1C(=O)[C@](O)(CC(=O)c2ccc(C)cc2)c2cc(Cl)ccc21 1320481 MOOKCPDDYUYVTA-FQEVSTJZSA-N 357.837 3.866 0 40 FHAB Cc1ccc2nc(S[C@@H]3CC(=O)N(c4ccccc4)C3=O)nc(C)c2c1 102948178 MDPWIFKBMURDOS-QGZVFWFLSA-N 363.442 3.671 0 40 FHAB Cc1cccc(CNC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)n1 106747171 XPRBHVHMLHYTRL-UHFFFAOYSA-N 361.232 3.813 0 40 FHAB O=c1cc(CN2CCc3ccccc32)nc2scc(-c3ccccc3)n12 23777145 CYQORWMQGRRJAA-UHFFFAOYSA-N 359.454 3.986 0 40 FHAB CC(C)NC(=O)CCNC(=O)N1CCC[C@@H]1c1cccc2ccccc12 56606696 NPVOYYTXJUTXOD-LJQANCHMSA-N 353.466 3.601 0 40 FHAB Cc1ccc(NC(=O)CNCCOC23CC4CC(CC(C4)C2)C3)c(C)c1 35395581 QRROKJMENILPDK-UHFFFAOYSA-N 356.510 3.817 0 40 FHAB O=C(NC1CCCCCC1)c1occc1CS(=O)(=O)c1ccccc1 26566585 IGBVRFFBFWDDKR-UHFFFAOYSA-N 361.463 3.706 0 40 FHAB O=C(CN1CCOc2ccccc2C1)Nc1ccc(C(F)(F)F)cc1 108256360 GHIGQKRZNUXXLE-UHFFFAOYSA-N 350.340 3.539 0 40 FHAB Cc1c(C(=O)Nc2ccc(F)cc2F)nnn1-c1ccc(F)c(Cl)c1 57524213 ZKODNSKJRJIPAL-UHFFFAOYSA-N 366.730 3.899 0 40 FHAB CN(C)C(=O)[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)c2ccccc2O1 27374593 SMVWNCLFSGTRDB-KRWDZBQOSA-N 364.367 3.561 0 40 FHAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1 20450170 PTQWAHNPSIQEDQ-UHFFFAOYSA-N 358.463 3.539 0 40 FHAB C[C@H](Sc1ccccc1Cl)C(=O)NCc1cccc(NC(N)=O)c1 58225740 CDRKKKHIKNCNAB-NSHDSACASA-N 363.870 3.628 0 40 FHAB O=C(NCCCCOCCc1ccccc1)N1CCC[C@H]1c1ccncc1 58223811 RSDNTCDINDCKDC-NRFANRHFSA-N 367.493 3.968 0 40 FHAB Cc1nc(-c2ccc(CCNC(=O)c3n[nH]c4ccccc34)cc2)cs1 12621507 RVFDXLPEBSVEFN-UHFFFAOYSA-N 362.458 3.967 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCc1ccc(OC)cc1 29762427 QAUTXPIMSDZIKG-HNNXBMFYSA-N 354.450 3.795 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)CN(C)Cc1ccccc1Cl 3327140 RUFNNPLIADVRJA-UHFFFAOYSA-N 360.841 3.587 0 40 FHAB Cc1cc(C(=O)Nc2c(C)nn(C)c2C)c2c(C)nn(-c3ccccc3)c2n1 36615889 HIEFUNSUYLWUJX-UHFFFAOYSA-N 374.448 3.640 0 40 FHAB COc1cc(CNC(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)ccc1O 45612547 HQLBLTLAXDMTIY-HNNXBMFYSA-N 358.438 3.815 0 40 FHAB CCOc1ccc(-c2ccc(OC(=O)c3ccc(OC)cc3)nn2)cc1 408527663 GXGAEVQNRDDZMH-UHFFFAOYSA-N 350.374 3.770 0 40 FHAB C[C@H](NC(=O)c1ccoc1)C(=O)NCc1cccc(Oc2ccccc2)c1 48300220 SQEAGEXHPLNFKC-HNNXBMFYSA-N 364.401 3.507 0 40 FHAB COc1ccc([C@@H](O)C2CCN(C(=O)Nc3ccccc3F)CC2)cc1 12869089 SCMMHXIAZFREAB-LJQANCHMSA-N 358.413 3.812 0 40 FHAB Cc1csc(=O)n1CC(=O)Nc1nc(-c2ccccc2Cl)cs1 12980813 LJCVMPQCRNHLOP-UHFFFAOYSA-N 365.867 3.634 0 40 FHAB C[C@@H]1CN(CCCCNc2ncnc3c2oc2ccccc23)C[C@@H](C)O1 79063624 KOEPTOYJNUGADY-HUUCEWRRSA-N 354.454 3.677 0 40 FHAB C[C@@H](NC(=O)CSc1nnc(-c2cccs2)o1)c1cccs1 6462755 FJXZWJBQHZKDRA-SECBINFHSA-N 351.478 3.829 0 40 FHAB COc1ccc2nc(NC(=O)c3ccc4c(c3)NC(=O)CS4)sc2c1 14168862 ULIOKCOVERWFDG-UHFFFAOYSA-N 371.443 3.601 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCCC2=O)cc1 14167128 PHGWSVHQWCPSAS-AWEZNQCLSA-N 372.852 3.551 0 40 FHAB COc1ccc([C@@H]2NC(=O)c3c(sc4c3CC[C@H](C)C4)N2)c(OC)c1 4525605 DFGHCXKBBXMIGR-DYZYQPBXSA-N 358.463 3.744 0 40 FHAB CCc1nc2ccccc2n1CC(=O)N(Cc1ccc(OC)cc1)C1CC1 9377461 UGUGRUHCROFJEV-UHFFFAOYSA-N 363.461 3.799 0 40 FHAB CCCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)O)cc2C)cc1 20152826 LIOINHQFVFPBSZ-UHFFFAOYSA-N 372.446 3.609 0 40 FHAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc2ccccc2s1 6552784 WLUMDZIUKWQTPB-GOSISDBHSA-N 367.474 3.618 0 40 FHAB Cc1nnc(NC(=O)CCCc2nc(-c3ccccc3Cl)no2)s1 19816279 OVCXZCVZYYROHG-UHFFFAOYSA-N 363.830 3.511 0 40 FHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)NCC1(c2ccccc2)CC1 9544530 CKFKCLKIHFPBQY-UHFFFAOYSA-N 365.408 3.656 0 40 FHAB CCc1nc2ccccc2c(C(=O)NCc2ccc(-n3cncn3)cc2)c1C 83817355 NMMOLOCDUBWUTF-UHFFFAOYSA-N 371.444 3.616 0 40 FHAB C[C@@H](CCc1ccco1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 97032891 SAWDKTYLNRJOSD-YVEFUNNKSA-N 350.821 3.788 0 40 FHAB O=C(c1cc(Cl)c(Cl)[nH]1)N1CCC(C(=O)N2CCCCCC2)CC1 97292135 OZQCKKFRSVVBOG-UHFFFAOYSA-N 372.296 3.576 0 40 FHAB Cc1nn(-c2ccc(C(=O)O)cc2)c2c1[C@H](C(F)(F)F)SCC(O)=N2 79486029 SWDQHYQWWBWGAF-GFCCVEGCSA-N 371.340 3.817 0 40 FHAB CC(C)[C@H]1CCCN1C(=O)c1cccc(C(=O)N2CCC[C@@H]2C(C)C)n1 84456570 ZIDIRNAEHHXVBM-RTBURBONSA-N 357.498 3.603 0 40 FHAB COc1cc([C@@H]2NC(=O)CN2Cc2ccc(-c3ccccc3)cc2)ccc1O 95376606 LOOFJVFGWSNGCG-HSZRJFAPSA-N 374.440 3.698 0 40 FHAB Cc1nccc(C(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc23)n1 95360852 RJKQAXJEWHYFQR-MRXNPFEDSA-N 362.458 3.890 0 40 FHAB CC(C)COC[C@H](O)CNC1CCC(O)(c2ccc(C(C)C)cc2)CC1 95454545 KDJPGGLNUZZXNV-ATKRNPRHSA-N 363.542 3.563 0 40 FHAB COc1ccccc1Cc1nnc(S[C@@H]2CCc3ccccc3C2=O)o1 89473780 IXPSTTKLCFQLOB-QGZVFWFLSA-N 366.442 3.959 0 40 FHAB COc1cc(C)c(NC(=O)c2ccc(N3CCCCC3=O)cc2)cc1OC 29365394 KSVNJYSRWFEMQW-UHFFFAOYSA-N 368.433 3.781 0 40 FHAB CC1CCN([C@H](CNC(=O)c2ncoc2C2CC2)c2ccccc2)CC1 555422302 STISPXVILATHRI-GOSISDBHSA-N 353.466 3.755 0 40 FHAB COc1ccccc1OCCNC(=O)CSCc1ccccc1Cl 61204221 NCHVHPVWHIGEOU-UHFFFAOYSA-N 365.882 3.777 0 40 FHAB C[C@H]1[C@@H](OC(=O)c2cccc(N3C(=O)CCC3=O)c2)C[C@@H]2C[C@H]1C2(C)C 36419458 IGPLREQKGCQVKF-UOJCXKCYSA-N 355.434 3.568 0 40 FHAB COc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)c1ccco1 2103061 LBJSBAVMHKMSEJ-LDQXTDLNSA-N 355.434 3.797 0 40 FHAB biogenic Cc1ccc(S(=O)(=O)N(C)c2ccc(OCc3cc(C)no3)cc2)cc1 31077615 XGZYIEHNJUPCMO-UHFFFAOYSA-N 372.446 3.696 0 40 FHAB O=C(O)COc1cccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c1 211507008 HJSAZCRIDAHCHU-DHDCSXOGSA-N 371.370 3.509 0 40 FHAB COc1cccc(O[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1 219305564 HIBVMXUQKQFBIR-KSSFIOAISA-N 355.434 3.881 0 40 FHAB CCOC(=O)c1cccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c1C 219202134 QSVPIUOEEZOGLP-UHFFFAOYSA-N 366.417 3.551 0 40 FHAB CCOc1ccccc1CCCNC(=O)[C@H](C)Oc1ccccc1OC 219496681 YQBHXRPWQXKZJM-INIZCTEOSA-N 357.450 3.610 0 40 FHAB Cc1cccc(Nc2cccc([C@@H]3CCCN3C(=O)c3cccnc3)n2)n1 72380431 JWCLAQFTUFUNLB-SFHVURJKSA-N 359.433 3.901 0 40 FHAB Cc1ccc(-c2nnc([C@H]3CCCCN3C(=O)Cc3ccccc3)o2)cn1 72344715 BLOSYLIKNISWFB-GOSISDBHSA-N 362.433 3.736 0 40 FHAB CCOC(=O)CCCCCC(=O)c1cccc(CN2CCSCC2)c1 43211353 SUCBSSMVKPZQHH-UHFFFAOYSA-N 363.523 3.932 0 40 FHAB CCOC(=O)[C@@H]1CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1 41058325 GUSSEWPPOWDGTO-LJQANCHMSA-N 351.446 3.620 0 40 FHAB COc1ccc(O[C@H](C)C(=O)Nc2nnc(SCC(C)C)s2)cc1 223776380 QQSQFZMSFVGBOW-LLVKDONJSA-N 367.496 3.701 0 40 FHAB C[C@H](NC(=O)Nc1cccc(I)c1)c1ccccn1 48470837 YEINZWYEGRAKJD-JTQLQIEISA-N 367.190 3.569 0 40 FHAB O=C(N[C@@H](c1cccnc1)C1CCOCC1)c1nc2ccccc2s1 225618092 BDRFYTJEQWMXHO-QGZVFWFLSA-N 353.447 3.589 0 40 FHAB CCc1cc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCC3)ccc1OC 223248502 FIRVIKFZYPGDLO-CQSZACIVSA-N 359.491 3.786 0 40 FHAB CCOc1ccc(NC(=O)c2snnc2-c2cccc(OC)c2)cc1 225766537 SCPGTAKPQQCXPM-UHFFFAOYSA-N 355.419 3.865 0 40 FHAB C[C@@H](NC(=O)c1cnn(C)c1Cc1ccccc1)c1ccc2c(c1)CCC2 1583992848 BKYIEGLXUYALSF-MRXNPFEDSA-N 359.473 3.991 0 40 FHAB CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1ccccc1 224360474 RHSDYHKJRLVZNP-IBGZPJMESA-N 355.434 3.573 0 40 FHAB Cc1cc(C)nc(Nc2cccc(C(=O)NCCc3ccc(O)cc3)c2)n1 95475905 XZRNEJCNZGNCPG-UHFFFAOYSA-N 362.433 3.515 0 40 FHAB O=C1CC[C@@]2(CCCN(Cc3cccnc3)CC2)N1Cc1cccc(F)c1 96047558 LTSNXKOTWVRVBM-JOCHJYFZSA-N 367.468 3.768 0 40 FHAB COc1cc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)ccc1OC(C)C 97987534 PMNTVUJWVXGHMR-MHWRWJLKSA-N 355.365 3.966 0 40 FHAB COC(=O)c1ccc(NS(=O)(=O)/C=C/c2c(C)cc(C)cc2C)cc1 96137038 ZVGHBQNLTYFNLD-MDZDMXLPSA-N 359.447 3.811 0 40 FHAB O=C(NCC1CCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 9468251 PLQWRBMCQGBDRQ-UHFFFAOYSA-N 372.490 3.798 0 40 FHAB O=C(c1c2c(NCc3ccccc3)ncnc2n2ccccc12)N1CCCC1 96146699 ZSRFSXAPTGVGOF-UHFFFAOYSA-N 371.444 3.731 0 40 FHAB Cc1nccc(CN2CCC[C@H](c3ccc(-c4c(C)noc4C)cn3)C2)n1 257318913 VPYCXBQLSHAOLA-SFHVURJKSA-N 363.465 3.831 0 40 FHAB Cc1cccc(Nc2cccc(C3CCN(Cc4cnn(C)c4)CC3)n2)n1 257221104 DNNAPSJCSRDKEY-UHFFFAOYSA-N 362.481 3.642 0 40 FHAB CCc1nnc(O)c(CNC(=O)N2CC(C)(C)[C@H]2c2ccccc2)c1CC 677230605 PLIFRKKNLIVGSF-GOSISDBHSA-N 368.481 3.600 0 40 FHAB Cn1ncc(NC(=O)N2CCS[C@H](c3ccccc3)C2)c1C(F)F 677623730 DVASNHGOKOJYDX-ZDUSSCGKSA-N 352.410 3.680 0 40 FHAB Cc1cnc(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)cn1 1615158073 QCRYWCVMTTVVEE-OAQYLSRUSA-N 368.456 3.588 0 40 FHAB COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3ccccc3SC)C2)c1 5030292 RJALWJGWIUHWSX-KRWDZBQOSA-N 372.446 3.557 0 40 FHAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2cccc(C)c2)cc1 5740330 AYDMEOIWQYZICY-UHFFFAOYSA-N 369.417 3.747 0 40 FHAB CC[C@@H](C)NC(=O)C1(C[C@@H]2CC(c3ccc(C)cc3)=NO2)CCOCC1 12365664 KKKWOWPEGUHWLH-AEFFLSMTSA-N 358.482 3.590 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c2nc3c(cc12)CN(CC1CC1)C(=O)O3 12754884 XTIVLQIDCHUWIA-UHFFFAOYSA-N 352.369 3.592 0 40 FHAB CCn1c(SCC(=O)c2cc(F)ccc2F)nc2ccsc2c1=O 13005919 OIZNODZEAXBRCD-UHFFFAOYSA-N 366.414 3.731 0 40 FHAB O=C(O)c1ccc(CNC(=O)c2cc(Br)ccc2Cl)cc1 13166214 NMFKSNVRXFZFDG-UHFFFAOYSA-N 368.614 3.731 0 40 FHAB CC1CCN(CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)CC1 15401783 WNEHESJNNPRTTN-UHFFFAOYSA-N 369.440 3.748 0 40 FHAB Cc1n[nH]cc1C(=O)N1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 602082979 KEFHOVLKQOLHTN-CQSZACIVSA-N 367.449 3.518 0 40 FHAB O=C(Nc1nc(CCC(=O)N2CCCCC2)cs1)NC1CCCCC1 16978645 GEMPIGCTIKTCBB-UHFFFAOYSA-N 364.515 3.542 0 40 FHAB Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)c1 1324880 FAOWBSAYAGWNSS-UHFFFAOYSA-N 372.490 3.649 0 40 FHAB COc1cc(OC)c(NC(=O)CNc2ccc(F)c(F)c2F)cc1Cl 11041708 GUJWKMLUFNXESB-UHFFFAOYSA-N 374.746 3.825 0 40 FHAB CCCCCN[C@H](CC(=O)Nc1ccc(Nc2ccccc2)cc1)C(=O)O 5258002 NWUUGXHSRDEUPF-LJQANCHMSA-N 369.465 3.992 0 40 FHAB COc1ccc2c(c1)C=C(C(=O)Nc1ccc3ccc(=O)oc3c1)C=CO2 15838779 XNGYIXXJUJFBJQ-UHFFFAOYSA-N 361.353 3.730 0 40 FHAB biogenic Cc1cccc(-c2nc3s/c(=C\c4ccc(C(C)C)cc4)c(=O)n3n2)c1 2265747 NDNFIRNXQVZNER-PDGQHHTCSA-N 361.470 3.798 0 40 FHAB CC(C)(C)n1nc(C2CC2)cc1C(=O)Nc1ccc(N2CCCC2)nc1 40121937 KRVMDAVDDQUSJI-UHFFFAOYSA-N 353.470 3.763 0 40 FHAB O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc2c(c1)-c1ccccc1C2 40130092 AYBDCONOUQEXON-UHFFFAOYSA-N 369.486 3.944 0 40 FHAB CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3cccc(OC)c3)oc2c1 100190415 BIOSGDGRJDBMHV-LNVKXUELSA-N 365.433 3.619 0 40 FHAB COc1ccccc1OCC(=O)N(Cc1ccc2cc[nH]c2c1)C1CC1 32096474 VFBPYWHOKWVVPV-UHFFFAOYSA-N 350.418 3.747 0 40 FHAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccc(F)cc2Cl)C1=O 2644601 SLYBOYWFHKSJJL-SFHVURJKSA-N 364.779 3.976 0 40 FHAB CN(C(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc12)C1CCCCC1 1366338 DMFNBTIKQBBCQN-UHFFFAOYSA-N 373.457 3.528 0 40 FHAB CCCOc1ccc(OCCOCCN2CCc3ccccc3C2)cc1 2191185 ABEGEZWDEVDBPF-UHFFFAOYSA-N 355.478 3.929 0 40 FHAB CSc1ccc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H]2CCCN32)cc1 8163661 ZFZKRJCAOYNPFP-KRWDZBQOSA-N 353.447 3.582 0 40 FHAB CCOc1ccccc1N1C[C@@H](C(=O)Oc2ccc(C)c(C)c2)CC1=O 7929382 PHCNKTNFQWJWPG-INIZCTEOSA-N 353.418 3.661 0 40 FHAB O=C(NCc1cccc(OCc2ccccn2)c1)c1cc(F)cc(F)c1 32930609 FZQVZQAUNWIDFT-UHFFFAOYSA-N 354.356 3.869 0 40 FHAB Cc1ccc(NC(=O)CSc2nc3sccc3c(=O)[nH]2)cc1Cl 8456464 CUXFJXTUGHUCBA-UHFFFAOYSA-N 365.867 3.677 0 40 FHAB C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1cccc(Cl)c1 21911378 DSSWFAXTZFXUNL-DOMZBBRYSA-N 362.882 3.884 0 40 FHAB COC(=O)c1cn(CC(=O)N[C@@H]2CCCc3ccccc32)c2ccccc12 21182998 SNMLYIOKHRDXQU-LJQANCHMSA-N 362.429 3.622 0 40 FHAB Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)c1 683248 NWGDTLFPNLVMPA-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB CCNc1c(NC(=O)Nc2ccccc2OC)c(=O)oc2ccccc12 9607317 HWIAESZSXWULKG-UHFFFAOYSA-N 353.378 3.877 0 40 FHAB COc1ccccc1-c1nnc(SCC(=O)Oc2cccc(C)c2)o1 20899630 WHBATFGCTILAKE-UHFFFAOYSA-N 356.403 3.751 0 40 FHAB CC(=O)Nc1cc(NC(=O)NCc2cccc(OC(C)C)c2)ccc1F 47482261 NCZDWGGJCLTJKT-UHFFFAOYSA-N 359.401 3.893 0 40 FHAB Cc1c(C)n(C[C@H](O)Cn2nnc3ccccc32)c2c(Cl)cccc12 12421941 VGEJTFZFYDWINT-AWEZNQCLSA-N 354.841 3.717 0 40 FHAB CC(C)c1ccccc1OCCNC(=O)c1ccc(N2CCCC2=O)cc1 110509280 UMXXPBCGTNIWRE-UHFFFAOYSA-N 366.461 3.746 0 40 FHAB Cn1ccnc1[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1F 12535506 QRHTZJKXHBZJOK-GOSISDBHSA-N 366.371 3.699 0 40 FHAB COc1cccc(C(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)c1OC 28303541 YFUAEJDSMHWRHL-UHFFFAOYSA-N 357.797 3.795 0 40 FHAB CN(C)c1ncc(S(=O)(=O)c2ccccc2)c(-c2ccccc2Cl)n1 1402825 IPRZUOHQZICTBK-UHFFFAOYSA-N 373.865 3.696 0 40 FHAB CC(C)n1ncc2cc(C(=O)Nc3nc4c(s3)C[C@H](C)CC4)cnc21 25279894 BEPHBRKGXHGIBK-LLVKDONJSA-N 355.467 3.846 0 40 FHAB O=C(NC[C@H](c1cccs1)N1CCOCC1)Nc1ccccc1Cl 25436420 BFDHJFRRBONXFK-OAHLLOKOSA-N 365.886 3.597 0 40 FHAB COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2cccs2)cc1F 56044464 UHFUFZNKKLWJPK-HNNXBMFYSA-N 362.451 3.520 0 40 FHAB Cc1nc(SCC(=O)c2ccc3c(c2)CCO3)n(C[C@H]2CCCO2)c1C 26266911 URCXIYMPBSCUSS-QGZVFWFLSA-N 372.490 3.589 0 40 FHAB CCOC(=O)c1sc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)nc1C 10024160 BDCFBLOQLHTGBS-SNVBAGLBSA-N 368.842 3.688 0 40 FHAB COC(=O)[C@@H](OC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccccc1Cl 10214073 OXXKHHYEYAGVLV-INIZCTEOSA-N 363.797 3.559 0 40 FHAB O=c1[nH]c(O)nc2c1[C@@H](c1ccc(Cl)cc1)C=C(c1ccccc1)O2 2291307 IUFYTFQVTXJEFE-CQSZACIVSA-N 352.777 3.694 0 40 FHAB CN(Cc1nc2ccccc2s1)S(=O)(=O)c1cccc(Cl)c1 3335885 KPZIKWXANDKJBT-UHFFFAOYSA-N 352.868 3.770 0 40 FHAB C[C@@H](OC(=O)CCc1nc2ccccc2s1)C(=O)N(C)c1ccccc1 3365080 GGEWANRAWCBQQL-CQSZACIVSA-N 368.458 3.824 0 40 FHAB CC(C)n1ncc2c(C(=O)O)cc(-c3ccc4c(c3)OCCCO4)nc21 36644002 HOADZVZTPRECDA-UHFFFAOYSA-N 353.378 3.539 0 40 FHAB O=C(Cc1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(Cc2ccccc2)C1 12788689 JSODCIXTILFYSU-MRXNPFEDSA-N 363.288 3.927 0 40 FHAB CC[C@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccc(C)cc1 12785292 FBTBQDVOABRELK-SFHVURJKSA-N 361.445 3.532 0 40 FHAB O=C(CSc1nnc(-c2ccco2)o1)N[C@@H]1CCCc2ccccc21 3421394 OLSMPIXHAOTRQK-CQSZACIVSA-N 355.419 3.616 0 40 FHAB Cc1csc2nc(COC(=O)C3(c4ccccc4)CCCC3)cc(=O)n12 12907189 ZBAGKXYHZVXTRB-UHFFFAOYSA-N 368.458 3.620 0 40 FHAB Cc1cc(CNC(=O)c2ccc(NC(=O)c3ccco3)s2)ccc1F 12916732 BQPBVSFVXOJPKM-UHFFFAOYSA-N 358.394 3.971 0 40 FHAB CC[C@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCc1ccccc1 3895895 CAYDQTWMYYDYFQ-RZMNMVRNSA-N 358.526 3.703 0 40 FHAB CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccccc2F)NC(=O)N1 4171447 ISCCCEMMIHAIAB-MRXNPFEDSA-N 359.788 3.746 0 40 FHAB C[C@H](Sc1nncn1C)C(=O)Nc1ccc(OCc2ccccc2)cc1 6063421 OPSQOJAKXCLKGW-AWEZNQCLSA-N 368.462 3.513 0 40 FHAB Cc1ccc(OCCn2cnc3ccc(Br)cc3c2=O)cc1 6112429 VZVVONLXEMXYPQ-UHFFFAOYSA-N 359.223 3.546 0 40 FHAB Cc1ccc(NC(=O)c2nnn(-c3ccc(Br)cc3)c2C)cc1 4314963 AJPZVXYRJXWCBT-UHFFFAOYSA-N 371.238 3.899 0 40 FHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Cn1c(C)cc2ccccc21 39995590 FITBFCIBEZVKPQ-UHFFFAOYSA-N 350.418 3.727 0 40 FHAB Cc1c(O)ccc2c(COC(=O)Cc3c[nH]c4ccccc34)cc(=O)oc12 6383891 OPVGRVRNSAQABO-UHFFFAOYSA-N 363.369 3.574 0 40 FHAB C[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccccc2F)CC1 5427135 BIPKCMKFFFCJCF-INIZCTEOSA-N 365.452 3.834 0 40 FHAB CSc1ccc([C@H]2SCC(=O)N2C[C@H]2COc3ccccc3O2)cc1 6585837 ITDWBTGYFQNGJF-IFXJQAMLSA-N 373.499 3.823 0 40 FHAB CSCC[C@@H](NC(=O)COc1ccccc1C)c1nc2ccccc2[nH]1 6506681 IQHZJCRYMXUTFK-QGZVFWFLSA-N 369.490 3.861 0 40 FHAB Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1 4610777 XSBOEEKPPAAHFH-FDEMFLOFSA-N 363.413 3.923 0 40 FHAB COc1cccc(OC[C@H](O)Cn2c(C(F)(F)F)nc3ccccc32)c1 5586796 GVYQAUVWSVVGDQ-GFCCVEGCSA-N 366.339 3.504 0 40 FHAB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(F)cc3F)c2C(N)=O)C1 6790715 GCFAZKNGTZYAOV-MRVPVSSYSA-N 350.390 3.502 0 40 FHAB CCOc1ccc([C@@H](C)NC(=O)[C@@H]2COc3ccccc3O2)cc1OCC 6881187 PESCWVQMGRPQRO-VLIAUNLRSA-N 371.433 3.501 0 40 FHAB O=C(Cn1nc(C(F)(F)F)cc1C1CC1)NC12CC3CC(CC(C3)C1)C2 6828534 JFGSHFQXGUXJTE-UHFFFAOYSA-N 367.415 3.864 0 40 FHAB C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)N1CCc2ccccc21 4987361 TVBJGRLGSBBCED-GFCCVEGCSA-N 369.421 3.946 0 40 FHAB COc1cccc(NC(=O)CN(C)C(=O)c2ccc3[nH]c(C)c(C)c3c2)c1 15470795 FSLJXTANDQGNIE-UHFFFAOYSA-N 365.433 3.504 0 40 FHAB CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)C1 80202744 YXENKOGXBLPZRY-MRXNPFEDSA-N 368.477 3.842 0 40 FHAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)c(C)n1C(C)C 7287539 GMEGMLQNRZKMLJ-CYBMUJFWSA-N 363.845 3.918 0 40 FHAB COc1ccc(-c2n[nH]c(SCC(=O)N(C)C3CCC(C)CC3)n2)cc1 8924327 CIVNZEDZODTGSK-UHFFFAOYSA-N 374.510 3.610 0 40 FHAB CSc1nc2nc(C)c(CCC(=O)Nc3cccc(C)c3C)c(C)n2n1 7666884 MVVFWSPJYWLTFJ-UHFFFAOYSA-N 369.494 3.651 0 40 FHAB O=C(COC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1cccc(Cl)c1 7786700 KUENLASXGIGOBH-SFHVURJKSA-N 374.820 3.938 0 40 FHAB CN(C)C[C@@H](NC(=O)/C=C/c1ccccc1Br)c1ccccc1 7817897 KHESUSIHAZUBKU-QFQMRYFISA-N 373.294 3.881 0 40 FHAB C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 7990824 MICARWVFTOKBSQ-RKDXNWHRSA-N 373.211 3.721 0 40 FHAB Cc1ccc2nc(SCc3cccc(C(F)(F)F)c3)n(N)c(=O)c2c1 71327789 MUENNUGIPXNHJO-UHFFFAOYSA-N 365.380 3.730 0 40 FHAB CC(C)(C)c1ccc(C(=O)CN2C(=O)N[C@](C)(c3cccs3)C2=O)cc1 9219207 BQLARSZQTAMALJ-HXUWFJFHSA-N 370.474 3.696 0 40 FHAB Cc1cc(C)c(C(=O)Nc2ccccc2)c(SCC(=O)OC(C)C)n1 9250037 UQRIPTBPAZUGFO-UHFFFAOYSA-N 358.463 3.994 0 40 FHAB CCOc1ccc(NCc2nnc3n2N=C(c2cccs2)CS3)cc1 19897522 NNBOAGFBNRDLMF-UHFFFAOYSA-N 371.491 3.709 0 40 FHAB CCc1ccc(Cl)c(CC)c1NC(=O)Cn1c(=O)cnc2ccccc21 9501250 SBCFQLPXKASNNP-UHFFFAOYSA-N 369.852 3.813 0 40 FHAB Cc1nn(C)c(C)c1CCNC(=O)/C=C/c1ccc2ccc(Cl)cc2n1 84012132 LUZRDEZAUYADCH-CMDGGOBGSA-N 368.868 3.611 0 40 FHAB COc1cc(OC)cc(-c2nnc(S[C@H](C)OC(=O)OC(C)C)o2)c1 72312923 BDXPHYHMZYCTQT-SNVBAGLBSA-N 368.411 3.754 0 40 FHAB CCOC(=O)[C@H](NC(=O)CCc1nc(C)c(-c2ccccc2)o1)[C@H](C)CC 72303234 GJTAJQXGLVCCQE-AUUYWEPGSA-N 372.465 3.677 0 40 FHAB O=C1CCCN1c1cccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)c1 79002721 GJVSJRPGZGZHDV-UHFFFAOYSA-N 352.409 3.757 0 40 FHAB COc1ccc(C)cc1-c1csc(NC(=O)Cc2c(C)noc2C)n1 9949964 IXTFRDXKWAYAAN-UHFFFAOYSA-N 357.435 3.913 0 40 FHAB Cc1occc1C(=O)N1CC[C@]2(CCn3c(-c4cccs4)cnc32)C1 306138643 SDLSISPNVLYTJK-IBGZPJMESA-N 353.447 3.701 0 40 FHAB CCCOc1ccc(N2C[C@@H](C(=O)NC3CCC(C)CC3)CC2=O)cc1 408708977 VXTURXNVRPBBRW-CGZBRXJRSA-N 358.482 3.523 0 40 FHAB c1ccc(OCCN=c2[nH]c([C@H]3COc4ccccc4O3)cs2)cc1 524734552 QBRNAAQUUXVKMS-GOSISDBHSA-N 354.431 3.568 0 40 FHAB O=c1oc2ccccc2c(O)c1-c1[nH]c(O)nc1-c1ccc(Cl)s1 524735527 HWWLCRAUTCQKPZ-UHFFFAOYSA-N 360.778 3.976 0 40 FHAB C[C@H](NC(=O)CCOc1ccc(F)cc1)c1ccc2c(c1)OCCCO2 32283916 QUJCHWUKAFCQEM-AWEZNQCLSA-N 359.397 3.633 0 40 FHAB CC(C)(C)c1ncc2c(n1)C[C@H]1CC[C@H]2N1[C@H](C(=O)O)c1ccsc1 530163189 DGIXPDUQIVMREO-WQVCFCJDSA-N 357.479 3.723 0 40 FHAB O=C1S/C(=C/c2ccncc2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 215178497 KZBQEDGBZHQBAE-PJQLUOCWSA-N 374.805 3.700 0 40 FHAB O=C(Nc1nc2ccccc2n1CCN1CCCCC1)NC1CCCCC1 32502513 BQSLZPLSLVVMIK-UHFFFAOYSA-N 369.513 3.976 0 40 FHAB Cc1ccc(C)c([C@H](C)NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c1 30763401 AKQUCYAJSJSFTF-OXJNMPFZSA-N 366.461 3.912 0 40 FHAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@H]2c1cccc(Br)c1 71282277 WWBZTRNYOGOCQK-NSHDSACASA-N 350.216 3.643 0 40 FHAB COc1ccc2cc(S(=O)(=O)Nc3cc(C)ccc3OC)ccc2c1 224168533 YNRYQEPVLGMZGD-UHFFFAOYSA-N 357.431 3.966 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 223011847 MXMPFPGDXAXBFL-IBGZPJMESA-N 372.896 3.744 0 40 FHAB CCOc1cccc(NS(=O)(=O)c2cccc(Br)c2)c1 40446705 ZHMWRVDYXPEZBL-UHFFFAOYSA-N 356.241 3.649 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(F)cc1 224266577 CQWXUATXUMPYJE-FQEVSTJZSA-N 370.468 3.620 0 40 FHAB COC(=O)c1cc(-c2csc(N)n2)ccc1OCc1cccc(OC)c1 85397525 RFRYMQQXTHKTIS-UHFFFAOYSA-N 370.430 3.767 0 40 FHAB CCn1ncc2cc(C(=O)N3CCCCC[C@@H]3c3cccn3C)c(C)nc21 575121666 SIMKPCFAKPNYJR-LJQANCHMSA-N 365.481 3.856 0 40 FHAB O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1ccnn1CC(F)F 329879445 MGFKQBYWXVRKJA-AWEZNQCLSA-N 361.392 3.715 0 40 FHAB COCc1ccc(NC(=O)N(C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 192529098 VNBZADPQKDUXKQ-FQEVSTJZSA-N 367.493 3.819 0 40 FHAB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(=O)O)cc1 225614842 MCESNCKYGNBUBD-UHFFFAOYSA-N 351.443 3.566 0 40 FHAB CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(F)cc1 220664539 LOBRVQBMMDOPCO-JKSUJKDBSA-N 351.418 3.729 0 40 FHAB O=C(CC(F)(F)F)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 220700744 ZAWLTPZVIXSBSX-NSHDSACASA-N 371.334 3.609 0 40 FHAB Cc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)cc1 225590200 FQNIUGAPRFVZDF-QGZVFWFLSA-N 370.468 3.619 0 40 FHAB CC(C)CC(=O)N1CCC2(CC1)C[C@@H](CC(=O)N(C)C)c1ccccc12 96242052 JNUCBQRLRLJIGA-QGZVFWFLSA-N 356.510 3.559 0 40 FHAB O=C(C1CCCCC1)N1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 98211736 LJMJKGUKWVWGEG-UHFFFAOYSA-N 372.900 3.959 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)Nc1cnc(Oc2ccccc2F)nc1 85472025 LOPXEJFJIPWCAB-ZDUSSCGKSA-N 353.353 3.814 0 40 FHAB CCOC(=O)c1c(C(F)(F)F)ccnc1NCc1ccc(OC)cc1 616567697 SVKREUWBBFKQLK-UHFFFAOYSA-N 354.328 3.898 0 40 FHAB Cc1cc(NC(=O)NC(C)(C)c2nc3ccccc3s2)c(N(C)C)nn1 626607333 VSUZCAAFXPRGSL-UHFFFAOYSA-N 370.482 3.518 0 40 FHAB CCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CC[C@H](O)C(F)(F)C1 664290740 FQZYTVXQXMONKS-RDJZCZTQSA-N 370.440 3.584 0 40 FHAB CC(C)(C)S(=O)(=O)c1ccc(N2Cc3ccc(Cl)cc3C2)cn1 665739557 SCNLFRRCZFGFGL-UHFFFAOYSA-N 350.871 3.827 0 40 FHAB COc1ccccc1CN(C(=O)c1ccc2c(c1)CCCC(=O)N2)C1CC1 614873877 CWKUEZVHLWAFMP-UHFFFAOYSA-N 364.445 3.775 0 40 FHAB C[C@@H]1NCCO[C@H]1c1ccc(-c2cc(Cn3cccn3)ccc2F)cc1 629709113 PEAXEDJLEBSBMD-YCRPNKLZSA-N 351.425 3.787 0 40 FHAB COc1ccc(CN2CCC3(CC2)OCC[C@@H]3CCOCC2CC2)cc1 585105376 VOONLGJIBBMYGW-FQEVSTJZSA-N 359.510 3.883 0 40 FHAB c1cncc([C@H]2OCC[C@@H]2NCc2ccc(OCc3cscn3)cc2)c1 585081516 RKJFXVYSIXAZAU-VQTJNVASSA-N 367.474 3.737 0 40 FHAB COc1cccc(OC)c1C(=O)Nc1ccc(C)c(N2CCCCC2=O)c1 5441744 BDRUEGFMLOOMHX-UHFFFAOYSA-N 368.433 3.781 0 40 FHAB Cc1sc2nc([C@@H]3CCCN(C(=O)C4CCCC4)C3)nc(O)c2c1C 12157834 PYAZWTNNFGAKHD-CQSZACIVSA-N 359.495 3.910 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cc(-c3cc(Cl)ccc3O)n[nH]2)c1 13127044 GYXCJQQZYAKBBN-UHFFFAOYSA-N 373.796 3.705 0 40 FHAB aggregator COc1ccc(NCc2cc3ccc(SC)cc3[nH]c2=O)cc1OC 13561391 VJIWGNPHAAXEND-UHFFFAOYSA-N 356.447 3.879 0 40 FHAB CC(=O)N1CCC[C@H](c2[nH]c3cccnc3c2CN2CCC(C)CC2)C1 19496921 GTVODPQKIFBBFV-KRWDZBQOSA-N 354.498 3.521 0 40 FHAB COc1ccc(CCNC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1OC 19933821 QKWNHBUAHSXNHY-MRXNPFEDSA-N 371.477 3.953 0 40 FHAB Cc1ccc(NC(=S)NC(=O)CC(C)C)cc1-c1ccc(C(=O)O)o1 226351144 HCFJOOFRMUUOFW-UHFFFAOYSA-N 360.435 3.812 0 40 FHAB O=c1oc2ccccc2cc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 226306595 SACOKBDZWLGCGM-UHFFFAOYSA-N 369.442 3.635 0 40 FHAB CCCc1ccc(C(=O)Cn2cnc3sc4c(c3c2=O)CCC4)cc1 5319684 VEDWXHNOMNFWJT-UHFFFAOYSA-N 352.459 3.782 0 40 FHAB CCOC(=O)c1sc2nc([C@H](C)Nc3cccc(C)c3)[nH]c(=O)c2c1C 13135237 RYEQAGDCHRCPTE-LBPRGKRZSA-N 371.462 3.951 0 40 FHAB Cc1cc(C(=O)N2CC[C@@H](COc3cccc(C(F)(F)F)n3)C2)c(C)o1 1888853807 VLRHFFCCCNORMO-CYBMUJFWSA-N 368.355 3.851 0 40 FHAB C[C@@H](C(=O)N1CC(C)(C)Oc2ccccc21)n1ccc(C(F)(F)F)n1 1266197659 WYUYDFBGLGIDEM-NSHDSACASA-N 353.344 3.667 0 40 FHAB Cc1cc(OC[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3F)C2)ccn1 1776000677 FMZJBATZJIKIQR-OAHLLOKOSA-N 360.404 3.528 0 40 FHAB Cc1ccc(N(C(=O)CC2CCCCC2)[C@H]2C=CS(=O)(=O)C2)cc1C 4165395 CGGOJAGVUNGRRY-IBGZPJMESA-N 361.507 3.918 0 40 FHAB COCCOc1ccc(C(=O)NCc2ccnc(-c3ccsc3)c2)cc1 225755650 KCKUOZYEJPNXCC-UHFFFAOYSA-N 368.458 3.765 0 40 FHAB C[C@@H]1Nc2ncnn2[C@H](c2ccccc2)[C@H]1C(=O)Nc1ccc(Cl)cc1 240002241 PPYDHAFKAWNMRG-AFAVFJNCSA-N 367.840 3.590 0 40 FHAB C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cc2c([nH]c1=O)CCCCC2 78137803 NSKYTASMUARPSF-WMLDXEAASA-N 368.452 3.801 0 40 FHAB Cc1sc(-c2ccco2)nc1C(=O)NC[C@H](c1ccco1)N1CCCC1 40062693 GLQCQRCXMBGQKD-CQSZACIVSA-N 371.462 3.871 0 40 FHAB CC(C)n1ncc2cc(NS(=O)(=O)c3ccc(F)cc3Cl)cnc21 32097910 HCAGNWPPPWJAOV-UHFFFAOYSA-N 368.821 3.606 0 40 FHAB C[C@H](Oc1cccc(F)c1)C(=O)N[C@H](C)c1ccc2c(c1)OCCCO2 32283908 ZRVKIKIRTCJJNR-KGLIPLIRSA-N 359.397 3.632 0 40 FHAB Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 3320743 HESWBTWORGURIO-UHFFFAOYSA-N 374.506 3.552 0 40 FHAB COc1ccc(CN(C(=O)c2ccco2)[C@H]2C[C@@H](C)N(C)C[C@H]2C)cc1 4325757 SUTXCIMFRCHMFF-MDZRGWNJSA-N 356.466 3.659 0 40 FHAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102699174 VDFYIRGOFCKINS-LZQZEXGQSA-N 374.440 3.632 0 40 FHAB CCc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc(C(=O)OC)cc23)cc1 4852901 SYZNFFAQXRIHPL-DYESRHJHSA-N 366.417 3.805 0 40 FHAB COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C)cc1 2703554 HEQXHZGEAVWXBH-LJQANCHMSA-N 363.413 3.683 0 40 FHAB Cc1ccc(C)c(OCCC(=O)OCC(=O)Nc2ccc3c(c2)CCC3)c1 6034061 HUEDCAAZEZFUFQ-UHFFFAOYSA-N 367.445 3.743 0 40 FHAB Cc1ccc([C@@H]2SC[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1 2758838 MTLFXXMQWHBSAV-RDJZCZTQSA-N 361.850 3.989 0 40 FHAB C[C@@H](c1cccs1)N(C)C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 33235426 HUYNIKMVVIHNNY-JTQLQIEISA-N 357.884 3.638 0 40 FHAB CCc1cccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc(C(=O)OC)cc23)c1 101085209 KSOGZOZUEGFAIV-UTKZUKDTSA-N 366.417 3.805 0 40 FHAB CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3ccc4c(c3)OCCO4)c2C1 2803551 RURAOTLHMWJJEW-LBPRGKRZSA-N 356.422 3.849 0 40 FHAB COCCCN1COc2ccc3c(C)c(-c4ccccc4)c(=O)oc3c2C1 12442405 YCPLZTGLLLWTLN-UHFFFAOYSA-N 365.429 3.957 0 40 FHAB biogenic O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccccc2)ns1 42090622 RRHYKZKDPSQXMP-MDZDMXLPSA-N 352.375 3.765 0 40 FHAB CCN1CCC[C@@H]1CNCc1cccc(NC(=O)c2ccc(OC)cc2)c1 22930496 VUWUVGLXVTUBDU-HXUWFJFHSA-N 367.493 3.521 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)N3CCc4ccccc43)o2)cc1 917092 OBLQJPGNZDUYRF-UHFFFAOYSA-N 351.431 3.726 0 40 FHAB Cc1ccc2nc(CNc3ccc(C)c(Br)c3)cc(=O)n2c1 12526634 RXOPKJYGNBYUEA-UHFFFAOYSA-N 358.239 3.686 0 40 FHAB C[C@@H](Sc1ncccn1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 12567812 HNLHLODQWPKRMY-SECBINFHSA-N 356.432 3.888 0 40 FHAB CN(C)C(=O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccccc2)c1 25544584 WLFMZDFUJQIPEC-UHFFFAOYSA-N 372.424 3.872 0 40 FHAB O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)C1=NO[C@H](c2ccccc2)C1 56121871 WTDBFEAKPYCGAV-SLFFLAALSA-N 368.408 3.680 0 40 FHAB C[C@H](NC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1)[C@H]1C[C@H]2CC[C@H]1C2 107333760 YXDBWHNYDKBNOK-BPQOCRPUSA-N 370.493 3.821 0 40 FHAB Cc1n[nH]c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)n1 26154264 GIJLFLKGTBPHAP-UHFFFAOYSA-N 351.646 3.804 0 40 FHAB O=C(CCCOc1ccc(Cl)cc1)NCCc1nc2ccccc2[nH]1 1773627 DOOVPZYZRWZTPW-UHFFFAOYSA-N 357.841 3.734 0 40 FHAB COc1ccc(S(=O)(=O)NCCCc2ccc(C)cc2)cc1Cl 10110529 PVOJOTFIUVYRRD-UHFFFAOYSA-N 353.871 3.568 0 40 FHAB CCc1ccc(Cc2nnc(SCC(=O)NC3CCCCC3)o2)cc1 20197190 KQPUSQANTGBEAO-UHFFFAOYSA-N 359.495 3.764 0 40 FHAB COc1ccc(NC(=O)CSc2nnc(C)n2C2CCCCC2)cc1 10014806 TYMXAVZKGKNQFY-UHFFFAOYSA-N 360.483 3.831 0 40 FHAB CCOC(=O)[C@@H]1CCCN(Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)C1 3347158 IQQGGSNCZZANSZ-MRXNPFEDSA-N 371.477 4.000 0 40 FHAB O=C(NCCSCc1ccccc1Cl)[C@@H]1COc2ccccc2O1 20239200 LLUTVMWNVRVBFC-KRWDZBQOSA-N 363.866 3.529 0 40 FHAB Clc1ccc(-n2ncc3c(NC[C@@H]4CCCO4)ncnc32)cc1Cl 10386440 ABMSJRWWMTYFBZ-NSHDSACASA-N 364.236 3.713 0 40 FHAB O=C(OCCOc1ccc(Br)cc1)c1cccnc1Cl 3341734 RHGHAARJLCDWCF-UHFFFAOYSA-N 356.603 3.733 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)NC[C@]1(N(C)C)CCC[C@H](C)C1 58426578 HKSXRXAPIILAIC-QKKBWIMNSA-N 357.473 3.923 0 40 FHAB CC(C)n1ncc2cc(C(=O)N[C@H]3CCCC[C@H]3C(F)(F)F)cnc21 12799490 ICFGKGSVSMVARP-KGLIPLIRSA-N 354.376 3.863 0 40 FHAB C[C@@H](Sc1nc(C2CC2)nc2ccccc12)C(=O)NC(=O)NC(C)(C)C 10949656 FXFFBGDDLCEGPO-LLVKDONJSA-N 372.494 3.612 0 40 FHAB CCOc1cc(/C=C2/C(=O)NC(=O)c3ccccc32)cc(Cl)c1OC 45528898 DNSGZZVOCGLTLB-RIYZIHGNSA-N 357.793 3.558 0 40 FHAB Cc1ccc([C@H](NCc2nnnn2-c2ccccc2)c2cccs2)cc1 12809967 ULYKFFXNPVIEMM-FQEVSTJZSA-N 361.474 3.911 0 40 FHAB Cc1sc2ncnc(OCC(=O)N3c4ccccc4C[C@H]3C)c2c1C 3599929 PVPUWJDYHLGCAJ-LLVKDONJSA-N 353.447 3.665 0 40 FHAB Cc1ccc(NC(=O)COc2cccc(N3CCCC3=O)c2)c(Cl)c1 12999485 KNPKPSHHSRXZBL-UHFFFAOYSA-N 358.825 3.793 0 40 FHAB Nc1nc2n(n1)[C@H](c1c(F)cccc1Cl)C[C@@H](c1ccc(F)cc1)N2 13131474 AXWXXRPVAUOWKM-KBPBESRZSA-N 361.783 3.938 0 40 FHAB aggregator COc1ccc(-c2nc(NC(=O)Cc3c(C)nn(C)c3C)sc2C)cc1 8745104 QMFGWARTVCYHQA-UHFFFAOYSA-N 370.478 3.659 0 40 FHAB Cc1nc(Nc2ccc3c(c2)OCCO3)c2c(C)c(C(=O)O)sc2n1 8720859 FQOHBUMMRXZONQ-UHFFFAOYSA-N 357.391 3.521 0 40 FHAB O=C(NC[C@H](O)c1ccccc1)c1ccc2noc(-c3ccccc3)c2c1 13629174 KLWUWXNMNAZBGJ-FQEVSTJZSA-N 358.397 3.958 0 40 FHAB Cc1nc(C)c(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)s1 5040650 OEOBKTUCCOVCEQ-UHFFFAOYSA-N 358.341 3.574 0 40 FHAB COC(=O)c1ccc(-c2nc(CN3CCOc4ccccc43)cs2)cc1 65234728 SRIMOXSKPDHADB-UHFFFAOYSA-N 366.442 3.996 0 40 FHAB COc1cccc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)OC3)c1 5265943 AZSSQBVWHKRTDC-MRXNPFEDSA-N 369.804 3.680 0 40 FHAB COc1ccc(-c2noc(CCC(=O)N[C@H](C)c3cccs3)n2)cc1 14043469 FMZXGVHJLLIDCS-GFCCVEGCSA-N 357.435 3.617 0 40 FHAB CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccccc1 4594944 SDWOKVIZTBQWPQ-UHFFFAOYSA-N 374.416 3.974 0 40 FHAB Cc1cc(=O)oc2cc(OCC(=O)N[C@@H]3CC[C@H]4CCCC[C@@H]4C3)ccc12 14232128 XZQZRSZNVAUWLV-BRWVUGGUSA-N 369.461 3.955 0 40 FHAB O=C(CCCn1c(=O)oc2ccccc21)Nc1nc2ccc(F)cc2s1 6579417 NUBHWDIMSQLZSX-UHFFFAOYSA-N 371.393 3.762 0 40 FHAB Cc1nc2sccc2c(=O)n1NC(=O)c1cc2cc(Cl)ccc2o1 9497060 NPAZQZANEZHAKW-UHFFFAOYSA-N 359.794 3.550 0 40 FHAB O=C(/C=C/c1ccccc1Cl)OCC(=O)c1ccc2c(c1)OCCO2 6643906 XBRCQUBVFSBXEP-SOFGYWHQSA-N 358.777 3.551 0 40 FHAB O=C(CCc1nc(-c2ccsc2)no1)Nc1cccc2ncccc12 9478693 SMPIJTIJXXSIGR-UHFFFAOYSA-N 350.403 3.918 0 40 FHAB CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(C(C)(C)C)c2)C[C@H]1C(=O)O 14632480 WJRYEPPLCGMVNX-HOTGVXAUSA-N 363.454 3.826 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 4965644 HAVWDUPMICVCMS-MRXNPFEDSA-N 367.449 3.968 0 40 FHAB COc1cc([C@H]2CC(O)=Nc3c2cnn3C2CCCC2)cc(OC)c1O 71280466 WKQJEWHXZVYYSD-CYBMUJFWSA-N 357.410 3.845 0 40 FHAB Cc1cccc(NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)c1 409174019 PSNLGKSKONJOIF-UHFFFAOYSA-N 374.506 3.501 0 40 FHAB O=C(O[C@@H](c1ccccc1)c1ccccn1)c1cccc(N2CCNC2=O)c1 68284115 PAYOERFNNYOPEV-FQEVSTJZSA-N 373.412 3.558 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)OC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c(C)c1 16824640 YVRSPMPIJZQXJJ-PMRDEQMMSA-N 357.450 3.569 0 40 FHAB CN1C(=O)S/C(=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)C1=O 408840914 GHVZVZMBPWOOGP-YBEGLDIGSA-N 369.398 3.630 0 40 FHAB O=C(NCc1nnc2ccccn12)C1(c2ccc(Cl)cc2)CCCC1 8341205 BKZDKYKTLCFKNI-UHFFFAOYSA-N 354.841 3.511 0 40 FHAB C[C@H]1Oc2c(C(=O)Nc3cccc(C(=O)NC4CC4)c3)cccc2[C@H]1C 8428218 ZQPYHDDVQMZHBO-QWHCGFSZSA-N 350.418 3.716 0 40 FHAB CCOC(=O)c1cnn(-c2cc(Oc3cc(C)cc(C)c3)nc(C)n2)c1C 19910297 MKLWMEMHLVCBOD-UHFFFAOYSA-N 366.421 3.865 0 40 FHAB CCc1nc2ccccc2c(C(=O)Nc2ccc(N3CCNC3=O)cc2)c1C 83817358 GWRNVZAESOXSKI-UHFFFAOYSA-N 374.444 3.888 0 40 FHAB CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccncc2)o1)c1ccccc1 9691566 ONJHRAFMQCYYES-CYBMUJFWSA-N 354.435 3.665 0 40 FHAB C[C@@H](NC(=O)CCc1nc(-c2cccc(F)c2)no1)c1ccc(F)cc1 72332172 RZRXDHHJPPIIQI-GFCCVEGCSA-N 357.360 3.825 0 40 FHAB Fc1ccc(OCCNc2cc(Cl)ccc2N2CCOCC2)cc1 84414990 HZHZKAXASKGTNJ-UHFFFAOYSA-N 350.821 3.807 0 40 FHAB Cn1cc(NC(=O)CCn2ccc3ccc(OCc4ccccc4)cc32)cn1 79485785 CUHSYGOYMUFNRP-UHFFFAOYSA-N 374.444 3.983 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)CSCc2ccc(F)cc2)cc1 20490000 SEXKZQSPLOIOLA-AWEZNQCLSA-N 363.454 3.651 0 40 FHAB CCN(CC)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 408972232 OAAGOUHUNYNQKZ-UHFFFAOYSA-N 357.281 3.714 0 40 FHAB COc1ncccc1CN1CC[C@@]2(CCn3c(-c4cccs4)cnc32)C1 306131628 KKLODLKVUJOUBE-HXUWFJFHSA-N 366.490 3.563 0 40 FHAB COc1ccc(NCN2C(=O)S/C(=C/c3ccccc3F)C2=O)cc1 408822185 HVLVWGKTJAIWCO-MHWRWJLKSA-N 358.394 3.940 0 40 FHAB COc1ccc2cc(C(=O)N[C@@H]3CCc4cc(OC)c(OC)cc43)[nH]c2c1 524732697 KMGPYVQUUKYBIQ-MRXNPFEDSA-N 366.417 3.611 0 40 FHAB C[C@@H](NC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C)C(F)(F)F 1529345728 ZNZCBAKKDIVZMA-UPJWGTAASA-N 366.424 3.917 0 40 FHAB Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccccc3C)n2)c1 219290652 FAWUIIDDZLQUEG-MRXNPFEDSA-N 365.433 3.779 0 40 FHAB CCOc1cccc2sc(NC(=O)[C@H]3OCCc4ccccc43)nc12 35316765 UMVSRADYYIZNCC-KRWDZBQOSA-N 354.431 3.948 0 40 FHAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)cc1O 36365613 NOROZVOQWGQYAH-AWEZNQCLSA-N 353.353 3.849 0 40 FHAB O=C(Nc1cccc(CN[C@H]2CCCC[C@@H]2O)c1)c1ccccc1Cl 78724807 RCRYPFVFSIVZMD-OALUTQOASA-N 358.869 3.985 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 36885336 KYIJQQKTPBAVFQ-UHFFFAOYSA-N 351.797 3.666 0 40 FHAB C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1ccc(CS(C)(=O)=O)cc1 71862065 SFQBXXLSHBYMBH-CYBMUJFWSA-N 365.882 3.718 0 40 FHAB Nc1ncc(-c2ccccc2)c([C@@H]2CCCCN2C(=O)C2CCCC2)n1 72377053 UTOJRLXLFVTPFA-SFHVURJKSA-N 350.466 3.970 0 40 FHAB CSc1nc(Cl)cc(OC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 72203150 BIWPMBZSRQXUHR-LLVKDONJSA-N 373.906 3.878 0 40 FHAB COc1ccc(C(=O)N2CCCCC2)cc1COc1ccccc1OC 224244625 IHVZZFGUDNTOAU-UHFFFAOYSA-N 355.434 3.909 0 40 FHAB COc1ccc(CC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 225161816 YEVQFEWLGPQRBK-UHFFFAOYSA-N 356.447 3.834 0 40 FHAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(N)=O 222927090 YRHODEIEQQWWHN-SFHVURJKSA-N 354.450 3.879 0 40 FHAB CC[C@@H](COC(=O)c1ccc(F)c(F)c1)NC(=O)c1ccc(F)c(F)c1 96319369 GAFVAACMJNHEND-LBPRGKRZSA-N 369.314 3.608 0 40 FHAB Cc1ncsc1CN1CCC2(CC1)OCC[C@@H]2CCOc1cccnc1 248056043 UIOBHPMZTYQRKK-KRWDZBQOSA-N 373.522 3.687 0 40 FHAB O=C(CC1=CCCCC1)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1 247851098 IRZVTIHOIWTKQG-OAQYLSRUSA-N 365.477 3.701 0 40 FHAB CN(C)Cc1cccc([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)n1 257270080 MSRMNTJJADPYLR-QGZVFWFLSA-N 355.507 3.671 0 40 FHAB COc1ccc(CN(C)Cc2cc(Cl)cc3c2OCOC3)cc1OC 42978159 TXHMYRIENMYFNJ-UHFFFAOYSA-N 363.841 3.856 0 40 FHAB Cc1cccc(CN2CCC(c3ccnc(Nc4cnccn4)c3)CC2)n1 257235843 GZTKCZXXYIXRNJ-UHFFFAOYSA-N 360.465 3.698 0 40 FHAB NC(=O)NCc1ccc(C(=O)OC2c3ccccc3-c3ccccc32)cc1 43013063 AFWVOSHAOFHNSF-UHFFFAOYSA-N 358.397 3.782 0 40 FHAB O=C1CN(Cc2ccc(C3CCCC3)s2)C[C@H](Cc2ccccc2)N1 1772707972 ZYMGYBTWYPPKSN-SFHVURJKSA-N 354.519 3.949 0 40 FHAB CC1(C)CCc2nc(O)c(C(=O)NCc3ccc4occc4c3)cc2C1 1328453760 DJVGNNCVNYVOHN-UHFFFAOYSA-N 350.418 3.978 0 40 FHAB COc1ccccc1[C@H](CNC(=O)/C=C/c1ccc(SC)cc1)OC 96384828 KWCGTLCDPZUYRS-QHSLDKKCSA-N 357.475 3.934 0 40 FHAB O=C(Cc1cccc(C(F)(F)F)c1)N1[C@H]2CC[C@H]1CC(n1ccnc1)C2 1565520536 YGZJUWMWRVGLET-HOTGVXAUSA-N 363.383 3.839 0 40 FHAB O=Cc1ccc(OCc2ccccc2F)c(I)c1 5771245 NOBOOYLPPZTYAJ-UHFFFAOYSA-N 356.134 3.822 0 40 FHAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 12145959 NOFUUZFFKABLPI-HNNXBMFYSA-N 371.456 3.592 0 40 FHAB COc1ccc(CN2C[C@@H]3CCC[C@H](C2)C3N2CCCCC2)cc1OC 12252304 ANNMBUIGIWVHSL-QIDMFYOTSA-N 358.526 3.790 0 40 FHAB CC(=O)N1Cc2cc(C)ccc2OC2(CCN(Cc3ccccc3)CC2)C1 12365946 BGVIAVODRCHHEW-UHFFFAOYSA-N 364.489 3.771 0 40 FHAB COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N2CCCC2)c1 13985789 OQISXPDMCYFDHA-UHFFFAOYSA-N 365.408 3.923 0 40 FHAB CC[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(OC)cc1 18131739 TZNSZNVGNSFLJU-INIZCTEOSA-N 359.422 3.602 0 40 FHAB CN(C)C[C@H]1CCCCN1C(=O)c1cc(-c2ccncc2)nc2ccccc12 19581966 VEEDXJYRQYAEPD-GOSISDBHSA-N 374.488 3.853 0 40 FHAB Cn1cc(CN2CCO[C@@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)cn1 19692425 NMSXYPCYLUVBAG-HXUWFJFHSA-N 368.868 3.709 0 40 FHAB O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)N[C@H]1C[C@H]2CC[C@@H]1C2 19928178 GIBJOMBVSYFVQQ-WDMOLILDSA-N 362.886 3.522 0 40 FHAB Oc1nnc(SCc2cc(Cl)nc(Cl)c2)n1-c1ccccc1 2152994 XTBBYRBHQBKWLH-UHFFFAOYSA-N 353.234 3.967 0 40 FHAB COc1ccc(CN2CCC[C@H]3NC[C@H](c4ccc(F)cc4)[C@H]32)c(OC)c1 19552342 QVFQNNDWNYXBBS-KCZVDYSFSA-N 370.468 3.563 0 40 FHAB O=C(Cn1c(=O)oc2ccccc21)NC(c1ccccc1)c1ccccc1 3517261 JXPCSPGNXPITTQ-UHFFFAOYSA-N 358.397 3.500 0 40 FHAB CCN(CC(C)C)C(=O)CCc1c(C)nc2c3ccccc3nn2c1C 31376361 IQSJNKZDPFJNJY-UHFFFAOYSA-N 352.482 3.936 0 40 FHAB C[C@H](NC(=O)CCc1csc(NC(=O)c2ccco2)n1)c1ccccc1 11835269 SKBRBUYUBRAOJW-ZDUSSCGKSA-N 369.446 3.798 0 40 FHAB COc1ccc(-c2nnc3sc(-c4cc(OC)cc(OC)c4)nn23)cc1 15082165 SDVXIGKZUMKXQQ-UHFFFAOYSA-N 368.418 3.546 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)NCc1cc(-c2ccc(F)cc2F)on1 16890858 MFUKCWPBHKYPHP-LBPRGKRZSA-N 358.344 3.704 0 40 FHAB Cc1cccc([C@@H](c2sc3nc(C)nn3c2O)N2CCC(C)CC2)c1 22626151 PDQJCQUZSMXFMU-INIZCTEOSA-N 356.495 3.935 0 40 FHAB CN(c1ccnc(C(F)(F)F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1775976050 URPYEZTWQVMVGL-UHFFFAOYSA-N 359.392 3.936 0 40 FHAB CCc1ccc(CC(=O)/N=c2\sc3cc4c(cc3n2CC)OCO4)cc1 101143233 SHRGCNYQONCXSN-MRCUWXFGSA-N 368.458 3.684 0 40 FHAB Cc1ccc(NC(=O)/N=c2\c3ccccc3[nH]c(=O)n2CC(C)C)cc1C 101113647 RVHCCWDDSSQBEA-LYBHJNIJSA-N 364.449 3.735 0 40 FHAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2CC(=O)c3ccccc32)CC1 38671291 SOLDKJCHWBAYAU-GOSISDBHSA-N 368.864 3.667 0 40 FHAB O=C(NCc1nccnc1-c1ccoc1)NCc1cccc2ccccc12 575619479 FXSHGRJFHYHJIU-UHFFFAOYSA-N 358.401 3.889 0 40 FHAB COC(=O)c1cnc(SCc2ccc(Cl)cc2)n(C(C)C)c1=O 2298106491 FETHFNSBVRKTQA-UHFFFAOYSA-N 352.843 3.557 0 40 FHAB O=C(NCCc1ccc(Cl)cc1)Nc1ccccc1N1CCCC1=O 40104212 GPRUCHLAJBETRO-UHFFFAOYSA-N 357.841 3.831 0 40 FHAB CCCCCn1c(=N)n(C[C@@H](O)COc2ccccc2C)c2ccccc21 20332480 MQUBPUGYERSITR-GOSISDBHSA-N 367.493 3.861 0 40 FHAB CC(C)c1cccc(NC(=O)c2ccc3c(=O)n(C)c(S)nc3c2)c1 101965831 BDJBRQRKQDRVMC-UHFFFAOYSA-N 353.447 3.598 0 40 FHAB CC1=C(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)C=C2C=CC=C[C@@H]2O1 4000099 JXSGLNRZTNLMMK-VQMHNJBBSA-N 372.468 3.892 0 40 FHAB biogenic COc1ccccc1NC(=O)CSC1=NC(C)(C)Nc2ccccc21 4372195 MMLWRRPGDWSBRZ-UHFFFAOYSA-N 355.463 3.975 0 40 FHAB CCOc1ccc(C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)cc1 6595682 FIVKFDMAGZRTLU-UHFFFAOYSA-N 358.507 3.514 0 40 FHAB COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2C2CC2)cc1 7859642 ARCKEDJWVRQSML-UHFFFAOYSA-N 366.442 3.810 0 40 FHAB Cn1ccnc1COc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1 32936692 UVJINDXUTCRLIP-UHFFFAOYSA-N 369.852 3.625 0 40 FHAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2ccc(OC)cc2)c1C 10443824 IEMYAUQKECZOCE-IBGZPJMESA-N 371.433 3.976 0 40 FHAB CCn1nnnc1NCc1ccc(OCc2cccc(Cl)c2)c(OC)c1 8340012 CKKADQHQRMPCGU-UHFFFAOYSA-N 373.844 3.546 0 40 FHAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccc2C)NC(=S)N1 8571736 YTUGNUPVHLHIOG-QGZVFWFLSA-N 355.438 3.566 0 40 FHAB C[C@H](c1cccs1)N(C)C(=O)CCC(=O)c1ccc2c(c1)OCCO2 53313328 LBXDSPVPEMZYLB-CYBMUJFWSA-N 359.447 3.702 0 40 FHAB CC(C)(C)C(=O)NC(=S)Nc1cccc(NC(=O)c2cccs2)c1 9064134 WIRNDTCUZPWYFA-UHFFFAOYSA-N 361.492 3.860 0 40 FHAB O=C(Nc1ccc2ccccc2n1)[C@@H]1CCCN1C(=O)C1CCCCC1 42393987 JEVVNPWAKICJBI-SFHVURJKSA-N 351.450 3.745 0 40 FHAB C[C@@H]1CN(CCOC(=O)Nc2ccc(Cl)cc2)CCN1C(C)(C)C 22584717 UMQSCSIFZSHZAJ-CQSZACIVSA-N 353.894 3.693 0 40 FHAB CCOc1ccc(-c2c(C)sc3ncn([C@@H](C)C(=O)OC)c(=O)c23)cc1 958891 FIRTUEITSJEXOE-NSHDSACASA-N 372.446 3.566 0 40 FHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 26526952 FJGMCRBJKATSED-UHFFFAOYSA-N 353.827 3.544 0 40 FHAB C[C@H]1CCc2sc(C(=O)OCCCn3c(=O)[nH]c4ccccc43)cc2C1 23761302 HDOUCKYIHOGPBB-ZDUSSCGKSA-N 370.474 3.763 0 40 FHAB CC(=O)NCc1ccc(C(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 24585557 IHHZFEBMQQHYOS-CQSZACIVSA-N 354.475 3.854 0 40 FHAB COc1ccc(CN2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1 24177487 CJLXYIUFTMIKNH-UHFFFAOYSA-N 360.457 3.806 0 40 FHAB CCCN(C(=O)c1cc2ccccc2c(=O)[nH]1)[C@@H]1CCc2ccccc2C1 56351606 HTYPLCZYRUWWAP-LJQANCHMSA-N 360.457 3.938 0 40 FHAB C[C@H](NC(=O)c1ccc(-c2ccccc2F)s1)C(=O)N1CCCCC1 57225614 KWOWLNUKDOOAHO-ZDUSSCGKSA-N 360.454 3.685 0 40 FHAB COc1ccc(OC[C@@H]2[C@@H]3CC[C@H](C3)N2C(=O)c2cnn(C(C)C)c2)cc1 100113351 KKSLSPNZYHPJLR-WRWLIDTKSA-N 369.465 3.545 0 40 FHAB CCOC(=O)c1c(-c2ccc(Br)cc2)cn2c1SCC2=O 3293362 RCPGTMJEZARKED-UHFFFAOYSA-N 366.236 3.840 0 40 FHAB CCCOC(=O)[C@H](C)n1cnc2scc(-c3ccc(C)cc3)c2c1=O 1778432 RXNYMZBJDJZBRV-ZDUSSCGKSA-N 356.447 3.948 0 40 FHAB Cc1cc(NC(=O)[C@H](C)c2c(C)nn(C)c2C)cnc1N1CCCC[C@H]1C 108175883 YFJRYRBXUGFIFN-HUUCEWRRSA-N 369.513 3.861 0 40 FHAB CNC(=O)c1ccc(CN(C(=O)C[C@H](C)c2ccc(F)cc2)C2CC2)cc1 57452165 RTDICFGFEZFYGO-HNNXBMFYSA-N 368.452 3.870 0 40 FHAB CN(C)c1cc(C(=O)Nc2ccnn2Cc2cccc3ccccc23)ccn1 44566858 OFIYDMBSWQIZTN-UHFFFAOYSA-N 371.444 3.798 0 40 FHAB O=C(CCc1ccc(-c2ccccc2)o1)NCc1ccc(OCCO)cc1 58223898 WOMXQDWCDYNGIN-UHFFFAOYSA-N 365.429 3.567 0 40 FHAB CC(=O)c1c[nH]c(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1 58209093 INHVCPVUXVXGPN-UHFFFAOYSA-N 353.403 3.783 0 40 FHAB CCOc1ccc(/C=C2/N=C(c3ccccc3)N(C)C2=O)cc1OCC 2260045 XCYFPNBEVLXSCY-GHRIWEEISA-N 350.418 3.744 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)NC[C@H](c1ccco1)N1CCCCC1 3350782 ILZBAKFTSAYGOT-LJQANCHMSA-N 351.450 3.647 0 40 FHAB NC(=O)Cc1ccccc1NC(=O)N[C@H](c1cccs1)C1CCCC1 45723080 VJDIRTUMUGDNIY-SFHVURJKSA-N 357.479 3.829 0 40 FHAB COc1ccc(C(=O)C2CCN(C(=O)Cc3ccc(C)cc3)CC2)cc1 12741703 MTSOHJVUOLYTHJ-UHFFFAOYSA-N 351.446 3.668 0 40 FHAB CC(C)n1nccc1NC(=O)CN(C)Cc1ccc(Cl)c(Cl)c1 12849561 NWHJAYOHOCKXPR-UHFFFAOYSA-N 355.269 3.841 0 40 FHAB CC(=O)c1cccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 12877756 PGNAYERDBPABPB-GOSISDBHSA-N 363.866 3.972 0 40 FHAB Cc1cc(C)n2nc(S[C@H](C)C(=O)Nc3ccc(Cl)cc3)nc2n1 3467140 FEFWSPZUUFFXCY-LLVKDONJSA-N 361.858 3.514 0 40 FHAB CCOc1ccccc1-n1nnnc1SCc1nc2ccccc2s1 3496725 CRBWEZWLWBCXFG-UHFFFAOYSA-N 369.475 3.963 0 40 FHAB Cn1ccnc1SCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 8068230 UACVDTCUPHKSRJ-INIZCTEOSA-N 361.467 3.619 0 40 FHAB Cc1nnc2sc(-c3cccc(NC(=O)c4ccccc4F)c3)nn12 3656462 FJWBDOOKFQTNLJ-UHFFFAOYSA-N 353.382 3.553 0 40 FHAB CCCCN1C(=O)c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2C1=O 8195849 DNSABDBQGYTIMY-CQSZACIVSA-N 350.418 3.574 0 40 FHAB COc1cccc(-n2c(-c3ccccc3)cnc2S[C@H]2CCOC2=O)c1 5174884 WOMQCZKZXXPELP-SFHVURJKSA-N 366.442 3.956 0 40 FHAB C[C@H](c1nc(C(C)(C)C)no1)n1nnc(-c2cccc(C(F)(F)F)c2)n1 65496423 BKIUOZJHLLVVHO-SECBINFHSA-N 366.347 3.649 0 40 FHAB C[C@H](CNC(=O)Cc1noc2ccccc12)c1nc2ccccc2s1 65548711 WFUNRGNVUOOXTJ-GFCCVEGCSA-N 351.431 3.900 0 40 FHAB Cc1cc(C)c(OCC(=O)OCC(=O)NCCC2=CCCCC2)c(C)c1 6551344 UIOVAIFFTJKZQC-UHFFFAOYSA-N 359.466 3.541 0 40 FHAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1c(C)cc(C)cc1C 4742587 HIEKNBMCGKMBET-UHFFFAOYSA-N 360.479 3.552 0 40 FHAB O=C(Nc1cccs1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 23145177 YUDWFGCCWYNBJZ-UHFFFAOYSA-N 374.491 3.814 0 40 FHAB O=C(NCc1ccc(F)cc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 4954045 MGLCRDSCPZKTBW-UYRXBGFRSA-N 364.376 3.506 0 40 FHAB COc1ccc(Cl)cc1CN(C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 7001285 DZBFTHANHJKNKD-LBPRGKRZSA-N 357.841 3.778 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)N2c3ccccc3C[C@H]2C)o1 7195744 DYJRKTULONFADD-LLVKDONJSA-N 355.419 3.708 0 40 FHAB Cc1ccc(-c2noc(CSc3nnnn3-c3ccccc3C)n2)cc1 8708833 JOQPUGVWPYHQHW-UHFFFAOYSA-N 364.434 3.621 0 40 FHAB CCCN(C(=O)c1ccc(Oc2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 15972218 RJAIWHVVIFMBFA-QGZVFWFLSA-N 373.474 3.518 0 40 FHAB COc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1 8816544 DBHIIBONPUGLJS-ZDUSSCGKSA-N 358.825 3.649 0 40 FHAB COc1ccc(-c2nnc3ccc(Oc4ccc(C(C)=O)cc4)nn23)cc1 9135068 JXOPGUIMPXVKEC-UHFFFAOYSA-N 360.373 3.795 0 40 FHAB CCCN1CCC(NC2CCC(O)(c3cccc(Cl)c3)CC2)CC1 96009139 GNDXXXNHOVSNMD-UHFFFAOYSA-N 350.934 3.934 0 40 FHAB CCOc1ccc(C(C)=O)cc1CSc1nc2sccc2c(=O)n1C 9385257 KAWIBGSOWXZNFA-UHFFFAOYSA-N 374.487 3.889 0 40 FHAB Cc1[nH]c(SCC(=O)NCc2ccccc2F)nc1Cc1ccccc1 9367329 REUQRDDQSWXPCC-UHFFFAOYSA-N 369.465 3.857 0 40 FHAB Cc1nc(C(C)C)c(C(=O)Nc2cccc(C(=O)c3nccn3C)c2)s1 96231094 QGHMBCQJECIMLC-UHFFFAOYSA-N 368.462 3.792 0 40 FHAB C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1sccc1C(N)=O 9479887 BSMVONDZMWQJSS-QMMMGPOBSA-N 363.489 3.576 0 40 FHAB Cn1ncc(C(=O)NCC2(c3ccc(Cl)cc3)CCC2)c1-n1cccc1 72087418 BITWHBVEUPWJFH-UHFFFAOYSA-N 368.868 3.716 0 40 FHAB Cc1ccc(/C=C2/CCn3c2nc2sc(C(=O)O)c(C)c2c3=O)s1 96759156 QKQKLLSHSVPAIM-YFHOEESVSA-N 358.444 3.779 0 40 FHAB O=C(Nc1ccc(Br)cc1)c1cc(-c2ccccc2O)n[nH]1 72427464 PLSGXDVAOGMIEL-UHFFFAOYSA-N 358.195 3.797 0 40 FHAB Cc1ccc(-c2cnc(CCC(=O)N3CCC[C@H]3[C@H]3CCCC3=O)o2)cc1 95451316 DMZBCTUTPKPWAY-MSOLQXFVSA-N 366.461 3.943 0 40 FHAB CC[C@H](C)n1nc(NC(=O)c2ccc(NC(=O)NC(C)C)cc2)cc1C 95463308 MMCVIBWTORDSNH-ZDUSSCGKSA-N 357.458 3.945 0 40 FHAB CC[C@H]1CCCCN1C(=O)[C@H](C)N(C)CC(=O)Nc1c(C)cc(C)cc1C 9951086 CSIPSIRASRKUSE-OALUTQOASA-N 373.541 3.662 0 40 FHAB COc1cccc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c1 27698572 KTKDYIFSUJXRRE-SEJPIABJSA-N 364.489 3.663 0 40 FHAB CCCN1C(=O)N/C(=C/c2cccn2-c2ccc(Br)cc2)C1=O 409247323 MRPPPHMSKXQQDR-RVDMUPIBSA-N 374.238 3.543 0 40 FHAB O=C(c1ccc(Cl)cc1)c1cc2c(cc1NC(=O)C1CC1)OCCO2 67340212 ZUTSUARLVFLEOC-UHFFFAOYSA-N 357.793 3.691 0 40 FHAB COCCCN1C(=O)S/C(=C/c2cccn2-c2ccccc2F)C1=O 409245938 BCRAWPBHJKKLHE-FOWTUZBSSA-N 360.410 3.689 0 40 FHAB COc1ccc2nc(S[C@@H](C)C(=O)c3c[nH]c4ncccc34)[nH]c2c1 502306820 RYOWRBWTFZDECF-JTQLQIEISA-N 352.419 3.811 0 40 FHAB COc1cc(/C=C/C(=O)Nc2ccccc2SC)cc2c1OCCO2 32722026 JCBZPVRJBKXQQG-BQYQJAHWSA-N 357.431 3.840 0 40 FHAB O=C(Nc1cccc2nsnc12)c1cc(-c2ccc(F)c(F)c2)on1 35672762 LEFJKDTULIVFNT-UHFFFAOYSA-N 358.329 3.877 0 40 FHAB C[C@@H](c1cccc(Cl)c1)N(C)C(=O)c1ccc(CS(C)(=O)=O)cc1 71862064 SFQBXXLSHBYMBH-ZDUSSCGKSA-N 365.882 3.718 0 40 FHAB COc1cc(OC)cc([C@H](C(=O)O)N2CC[C@H](c3ccccc3)[C@H](C)C2)c1 563282237 GLDVBSHWBWYRSQ-GQWLDOHISA-N 369.461 3.955 0 40 FHAB Cc1ccc(CNC(=O)CN2CCC(COCc3ccccc3)CC2)cc1 70637169 HTLMTMUHRGRJSK-UHFFFAOYSA-N 366.505 3.540 0 40 FHAB CC1(C)CCc2cc(CC(=O)Nc3cccc(-c4nc[nH]n4)c3)ccc2O1 79495474 IDBCREFBKHKXJX-UHFFFAOYSA-N 362.433 3.757 0 40 FHAB COc1cc(C)ccc1CN1CCC([C@]2(C)CCCCN(C)C2=O)CC1 72371995 GVRIZBLUFDHEKS-QFIPXVFZSA-N 358.526 3.864 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c(C)c1 219202347 XOQMIPAYIOZBJO-UHFFFAOYSA-N 366.417 3.551 0 40 FHAB CCOc1cc(CNC(=O)c2cn[nH]c2-c2ccc(C)cc2)ccc1OC 72328971 GLNVSKXYRBRVCP-UHFFFAOYSA-N 365.433 3.722 0 40 FHAB COc1ccc(S(=O)(=O)NCc2ccc(C(C)(C)C)cc2)cc1F 223742688 JCIWMPMQYPQFAE-UHFFFAOYSA-N 351.443 3.610 0 40 FHAB CCOc1cccc(-c2noc(-c3nn(-c4cccc(C)c4)ccc3=O)n2)c1 49006335 BRBAWUYNAQYNDU-UHFFFAOYSA-N 374.400 3.657 0 40 FHAB CC(C)C[C@@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1)c1ccccc1 222421095 BHRRLPOUWFJFSP-LJQANCHMSA-N 374.506 3.600 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 223666133 AYNSYJFRQGALKX-IBGZPJMESA-N 366.505 3.789 0 40 FHAB CCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NCCC1=CCCCC1 222975465 MLIXTZHJAKINFY-QGZVFWFLSA-N 372.509 3.829 0 40 FHAB Cc1sc2nc([C@H](C)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=N)O)nc(O)c2c1C 329939753 FVVYZAYQDVVNLG-QVSJOPQTSA-N 360.483 3.711 0 40 FHAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N1CCN(c2ccccc2F)CC1 222951309 HOLDBJIOBDAQJN-FQEVSTJZSA-N 370.468 3.949 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)C)cc2)cc1 46545570 BZPULQGECNBWLW-UHFFFAOYSA-N 360.479 3.589 0 40 FHAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222718660 YGEUKADJCBNEJS-HOCLYGCPSA-N 371.433 3.501 0 40 FHAB O=C([C@H]1Cc2nc(-c3ccccc3)sc2N1CC1CC1)N1CCCCC1 96264429 HWUWGQKCIFAXSH-GOSISDBHSA-N 367.518 3.964 0 40 FHAB Cc1ccc(C(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1 242875132 GINGEHBXFAXVKX-UHFFFAOYSA-N 350.462 3.506 0 40 FHAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN3[C@H]3CCSC3)cc2n1 247857834 YSBXKGHIUSIMLB-WCQYABFASA-N 356.417 3.699 0 40 FHAB Cc1cc([C@@H]2CN(C(=O)c3cc4ccccc4s3)CCO2)nc(C)n1 257267925 MJMFWSYNPDLLQT-INIZCTEOSA-N 353.447 3.522 0 40 FHAB Cc1noc(C)c1-c1ccc([C@@H]2CCCN2C(=O)c2cscn2)nc1 257284034 PAZRMSDRFRAVHF-INIZCTEOSA-N 354.435 3.787 0 40 FHAB O=C(O)[C@@H](c1ccccc1F)N1CCC[C@H](c2nc3ccccc3o2)C1 652386736 GYPWCBHLSLPEQR-SCLBCKFNSA-N 354.381 3.972 0 40 FHAB O=C(CN1CC[C@H]1c1ccccc1F)Nc1ccc(Br)cc1 72308971 HBYPFLJCRPGRFE-INIZCTEOSA-N 363.230 3.974 0 40 FHAB Cc1sc(NC(=O)[C@]2(C)CCCO2)nc1-c1cc2ccccc2oc1=O 12191883 LRYQJCQWYAIJOA-IBGZPJMESA-N 370.430 3.733 0 40 FHAB Cc1cnc2c(c1)cc(C1CCOCC1)n2CC(=O)N1CCCC[C@@H]1C 12223091 XNJQTNFWWHCGEH-INIZCTEOSA-N 355.482 3.640 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)NC(C)C)C1 12603359 XRJQGNNJYPPBQT-NVXWUHKLSA-N 356.445 3.748 0 40 FHAB biogenic,in-vitro CCOc1ccc(CN(C)CC(=O)Nc2cccc(Cl)c2)cc1OC 13068827 SDDULVWMFFTUBW-UHFFFAOYSA-N 362.857 3.818 0 40 FHAB CCN(Cc1cc2cc(OC)ccc2nc1O)C(=O)c1ccccc1C 13479920 INNOQGKZFBVNEG-UHFFFAOYSA-N 350.418 3.920 0 40 FHAB O=C(NC1=N[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccccc1)c1ccccc1 17074550 GZFWQNNKEHHSEK-ROUUACIJSA-N 362.433 3.631 0 40 FHAB C[C@H](NC(=O)CN(C)Cc1ccccn1)c1cc2cc(Cl)ccc2o1 19458553 CVDQBUDISPZUQO-ZDUSSCGKSA-N 357.841 3.790 0 40 FHAB CCCC(=O)N1CCC[C@@](Cc2ccc(-c3cccs3)cc2)(C(N)=O)C1 19501198 BZUQSDXCZODRES-NRFANRHFSA-N 370.518 3.852 0 40 FHAB Cc1ccc2c(NC(=O)CCc3c(C)nn(-c4ccccc4)c3C)n[nH]c2n1 19717305 NFTIKMLVBWTOOZ-UHFFFAOYSA-N 374.448 3.640 0 40 FHAB O=C(/C=C/c1ccc(Cl)cc1Cl)NC[C@H]1COc2ccccc2O1 6260969 FZGZSUKFSXOSLD-OWNNVSBGSA-N 364.228 3.963 0 40 FHAB O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCc2ccccc2C1 10823224 KNRIDIHHWWXVLT-UHFFFAOYSA-N 361.445 3.629 0 40 FHAB Cc1ccc2cc(CCNC(=O)c3cccc4ccccc34)c(=O)[nH]c2c1 3911728 HZKDPRDODMBZEZ-UHFFFAOYSA-N 356.425 3.962 0 40 FHAB Cc1ccc(-n2nnc3c(SCc4ccc(F)cc4)ncnc32)cc1 4166645 OFTKYEGASHDKFV-UHFFFAOYSA-N 351.410 3.950 0 40 FHAB O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc(Cl)cc1 4377254 WPIFMQRIMCZIGY-UHFFFAOYSA-N 374.805 3.595 0 40 FHAB O=c1c(NCc2ccc(F)cc2)nccn1-c1ccc(Br)cc1 10273183 VJKYNXKGBHKMAT-UHFFFAOYSA-N 374.213 3.746 0 40 FHAB O=C(CCCn1nc(-c2ccco2)ccc1=O)Nc1ccccc1Cl 11695837 NVZJIJIKKQKITH-UHFFFAOYSA-N 357.797 3.576 0 40 FHAB COc1ccc2nc(-c3cccc(NC(=O)Cc4ccccc4)c3)cn2n1 11693377 LODXXPGIBMMPTB-UHFFFAOYSA-N 358.401 3.586 0 40 FHAB O=C(NCCn1ccnc1C1CC1)NC(c1ccccc1)c1ccccc1 225567969 NNEXAVSMSIXDBL-UHFFFAOYSA-N 360.461 3.849 0 40 FHAB CCOc1ccc([C@H](CC(=O)O)c2c(O)c3ccccc3oc2=O)cc1 16691539 NKDJTNFKGHVBMN-HNNXBMFYSA-N 354.358 3.504 0 40 FHAB COc1ccc2c(c1)CCCN2C(=O)c1cccnc1N1CCCCC1 40132109 KTTYVRQZGGIMLS-UHFFFAOYSA-N 351.450 3.674 0 40 FHAB Cc1cc(C)n(C[C@@H](C)CNC(=O)Nc2cccc(OC(F)F)c2)n1 40120496 JFDYBGABRIDGIN-NSHDSACASA-N 352.385 3.559 0 40 FHAB Cc1nc(NC(=O)c2ccccc2S(C)(=O)=O)sc1-c1ccccc1 31968132 QDLQOMCAEKZJKB-UHFFFAOYSA-N 372.471 3.774 0 40 FHAB Cc1ccc(-n2ncc3c2N=C(O)C[C@]32C(=O)Nc3ccccc32)cc1C 20725791 LWIUHTVDEQNROM-OAQYLSRUSA-N 358.401 3.719 0 40 FHAB Cc1noc(C)c1CSc1ccccc1C(=O)/N=c1/sccn1C 29650178 RNTPDBBLDPWRPP-ISLYRVAYSA-N 359.476 3.725 0 40 FHAB O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1cncc(Br)c1 29607604 MUVSBRUJFNROCF-GHMZBOCLSA-N 351.166 3.695 0 40 FHAB Cc1cc(OCc2nnc(SCC(=O)OC(C)C)o2)ccc1Cl 876087 FVSUUOLAFLOJKB-UHFFFAOYSA-N 356.831 3.654 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)c1 4033016 CNDBGJUZZUHWME-UHFFFAOYSA-N 374.400 3.666 0 40 FHAB O=C(NCc1ccccc1F)C1(c2ccc3c(c2)OCCO3)CCCC1 32841539 SGCARKFWYOKOMV-UHFFFAOYSA-N 355.409 3.725 0 40 FHAB CC(=O)c1ccc(OC[C@@H](O)CN[C@@H](c2ccc(C)cc2)C2CC2)cc1 32899658 BMNMWIVEBXZKOA-UNMCSNQZSA-N 353.462 3.678 0 40 FHAB Cc1cc(C(=O)CN2C[C@H](C)O[C@H](C)C2)c(C)n1Cc1ccc(F)cc1 21670629 VJUKMIUSNSULKY-IYBDPMFKSA-N 358.457 3.584 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=O)COc2ccc(Cl)cc2)c1 7792264 LGRRUGIMCCEOBH-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Oc2ccc(C)c(C)c2)CC1=O 7928770 HBZQHKCISKKDPU-AWEZNQCLSA-N 373.836 3.924 0 40 FHAB COc1cccc2c(C)cc(SCC(=O)NCc3ccccc3)nc12 11907535 LZVVYZVZTPGCQZ-UHFFFAOYSA-N 352.459 3.960 0 40 FHAB O=C1Nc2ccccc2[C@H]1CCC(=O)N1CCc2[nH]c3ccccc3c2C1 100790681 OEWWCMVDYRXNFG-MRXNPFEDSA-N 359.429 3.569 0 40 FHAB biogenic CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc2c(s1)CCCCC2 8020461 VAQGYUFOQUGDHM-UHFFFAOYSA-N 360.454 3.867 0 40 FHAB CC1CCN(CCCNC(=S)Nc2cccc(Br)c2)CC1 8110702 HVBFGUADJPFCIS-UHFFFAOYSA-N 370.360 3.858 0 40 FHAB CCOc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1OCC 8498366 NDODUSXVDXRJGS-UHFFFAOYSA-N 369.870 3.616 0 40 FHAB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1cnn(C)c1 21925385 VOJDNRIJBVGIEK-UHFFFAOYSA-N 374.238 3.715 0 40 FHAB Cc1sc2ncn3nc(Cn4nc(C(F)(F)F)cc4C)nc3c2c1C 2789947 UYGQYKVVJTUSAM-UHFFFAOYSA-N 366.372 3.528 0 40 FHAB CN(C)Cc1ccccc1CNC(=O)c1ccc(CN2CCCCC2)cc1 9917466 LIERTDYHDIEXRL-UHFFFAOYSA-N 365.521 3.664 0 40 FHAB Cc1c(Br)cc2c(c1C)OC[C@@H](N1CCCC[C@@H]1C)C2=O 55125455 MJIALHBFRVZOGC-ZUZCIYMTSA-N 352.272 3.884 0 40 FHAB CSc1ccc(Cl)c(C(=O)Nc2ccc(N3CCOCC3)nc2)c1 24334046 LQSNAISWSYVOAD-UHFFFAOYSA-N 363.870 3.546 0 40 FHAB Cn1nc(C(F)(F)F)c(C(=O)NCc2ccc(Cl)cc2)c1Cl 3128547 GTXSYUSBVXWSRH-UHFFFAOYSA-N 352.143 3.676 0 40 FHAB COc1cc(CNC23C[C@@H]4C[C@H](CC(O)(C4)C2)C3)cc(Cl)c1OC 101211203 AYYXBVRJQWCQQG-IHWOHKJGSA-N 351.874 3.531 0 40 FHAB O=C1C[C@H](c2ccccc2)N1CN(Cc1ccccc1)C[C@@H]1CCCO1 106151767 HRJGMWXBQCNKNT-LEWJYISDSA-N 350.462 3.599 0 40 FHAB O=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@@H]1c1ccc(Cl)cc1 25086691 CHBGBCXXIKZKCQ-QGZVFWFLSA-N 352.825 3.898 0 40 FHAB Oc1ccc(C2=CCN(C[C@H](O)COCc3ccccc3Cl)CC2)cc1 25062063 ZNFZVEJZNJRUAW-FQEVSTJZSA-N 373.880 3.712 0 40 FHAB C[C@@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]12 100174663 TZAFNFPJXKADMZ-MPTQWLOMSA-N 371.742 3.582 0 40 FHAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1occc1C 25320410 PANNLGAXYBPGKF-UHFFFAOYSA-N 359.813 3.530 0 40 FHAB Cc1ccc([C@@H]2N=C(Nc3cccc(C)c3)Nc3nc(C)cc(=O)n32)cc1 105330264 WXIQYPALLYLIJH-LJQANCHMSA-N 359.433 3.609 0 40 FHAB CN(Cc1ccccc1)C(=O)CSc1nnc2sc3ccccc3n12 3254305 JBBOHLXCVXOWCP-UHFFFAOYSA-N 368.487 3.695 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)cc1 57394508 YVSGWJWRPCJRET-UHFFFAOYSA-N 354.797 3.736 0 40 FHAB C[C@H](NC(=O)CSc1ncnc2ccsc12)c1ccc(F)cc1F 26960272 WFUBWWLBHKUJKX-VIFPVBQESA-N 365.430 3.939 0 40 FHAB CCOCCOC(=O)COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1 1938729 ADWJWXNPHKVQLF-UHFFFAOYSA-N 371.433 3.514 0 40 FHAB CC(=O)/N=c1\[nH]c2ccc(C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)cc2s1 101402808 KTJDPJCBBLAJSN-VBKZILBWSA-N 371.506 3.717 0 40 FHAB O=C(COC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)N1CCCC1 12631983 DYBMXMGZKJEIDM-WVKNIADZSA-N 367.489 3.690 0 40 FHAB O=C(NCc1cnn(Cc2ccccc2)c1)[C@H]1CCC[C@@H](C(F)(F)F)C1 53339396 UZQAZEZUSFCKJY-DLBZAZTESA-N 365.399 3.916 0 40 FHAB C[C@@H](CNC(=O)CSc1nccn1C1CC1)c1nc2ccccc2s1 58185148 OKSIGQGIYDPGFJ-LBPRGKRZSA-N 372.519 3.840 0 40 FHAB CSc1ccc(C(=O)CCC(=O)N[C@H](C)c2ccc3c(c2)OCO3)cc1 27684341 BIHNHZHWLJHBRB-CYBMUJFWSA-N 371.458 3.978 0 40 FHAB C[C@@]1(c2ccccc2Cl)NC(=O)N(Cc2cccc3cccnc23)C1=O 10213139 CJWONUGVIIACSM-FQEVSTJZSA-N 365.820 3.855 0 40 FHAB COc1ccc([C@@H](NC(=O)NCc2nc3ccccc3n2C)C(C)C)cc1 10261092 ZQTZJUXKNUQHLP-FQEVSTJZSA-N 366.465 3.778 0 40 FHAB CSc1ncccc1C(=O)OCC(=O)Nc1cccc2ccccc12 3347349 UIYQLAVHPHDGOJ-UHFFFAOYSA-N 352.415 3.752 0 40 FHAB COc1ccc(OCCCC(=O)NCCOc2ccc(Cl)cc2)cc1 21904885 WWXLVXSCWIHBNA-UHFFFAOYSA-N 363.841 3.703 0 40 FHAB Cc1ccc(CNC(=O)CSc2ccc(C(F)(F)F)cn2)cc1F 10348406 BXHBTMQYDCXPTK-UHFFFAOYSA-N 358.360 3.956 0 40 FHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2C)c1 26527890 IOUYWVQTSZTFGK-UHFFFAOYSA-N 374.245 3.889 0 40 FHAB CCn1cnnc1-c1cccc(NC(=O)NCCO[C@@H]2CCCC[C@H]2C)c1 58310843 JVQMKKQCJYNRMC-CRAIPNDOSA-N 371.485 3.682 0 40 FHAB C[n+]1cccc([C@@H]2CCCCN2C(=O)c2ccccc2Br)c1 2236388 ZMEOGPZLSGGXII-KRWDZBQOSA-N 360.275 3.641 0 40 FHAB biogenic Cc1cccc(C)c1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 12764751 RJRQDMSMONISHB-UHFFFAOYSA-N 354.494 3.965 0 40 FHAB O=C(CCCNC(=O)C1CC1)Nc1nc2ccccc2n1C1CCCCC1 48362871 SOMHMCDTKKOIRR-UHFFFAOYSA-N 368.481 3.786 0 40 FHAB CCc1ccc(C(=O)[C@H](C)OC(=O)c2nc(SC)ncc2Cl)cc1 11572850 XXFSRSXIHZYUEU-JTQLQIEISA-N 364.854 3.843 0 40 FHAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)N2C(=O)CSC2=N1 4178409 UPBNWWWALREVPK-INIZCTEOSA-N 369.471 3.647 0 40 FHAB COC(=O)[C@H](C)Oc1ccc2oc(=O)c(-c3ccc(OC)cc3)c(C)c2c1 4340657 OLYUAUREVWLVGG-ZDUSSCGKSA-N 368.385 3.717 0 40 FHAB biogenic C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)n1c(=O)oc2ccccc21 14107960 MCUREHFQLMYYSY-SECBINFHSA-N 357.366 3.543 0 40 FHAB CC(=O)Nc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1 6509455 LAQPRJHLYWHEPQ-UHFFFAOYSA-N 351.431 3.950 0 40 FHAB COc1cccc(NC(=S)NCCCc2ccc(OC)c(OC)c2)c1 64936520 SGRNUBGCPZAZRK-UHFFFAOYSA-N 360.479 3.632 0 40 FHAB COc1ccccc1CN(C)[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21 6881545 WDBCAYZDCREMJO-OXJNMPFZSA-N 352.478 3.709 0 40 FHAB Cc1nnc(SCC(=O)c2ccc(CNC(=O)C(C)(C)C)s2)s1 7442489 PROYIHFVSVYEIO-UHFFFAOYSA-N 369.537 3.545 0 40 FHAB O=C(NC1CCCC1)c1cc(Br)c(Br)s1 8080982 KPLOYNIOJDFKAQ-UHFFFAOYSA-N 353.079 3.946 0 40 FHAB Cc1cc(C(=O)OCC(=O)NC2CCCCCC2)c(C)n1Cc1ccco1 16694556 ZMMQJZVHGAVHHM-UHFFFAOYSA-N 372.465 3.742 0 40 FHAB O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1cc2ccccc2o1 8187097 MZLGJTASYMCRIX-OAHLLOKOSA-N 364.401 3.594 0 40 FHAB C[C@H]1CCc2sc(C(=O)N3CCN(CCc4cccs4)CC3)cc2C1 70036844 NUWYITICCFOHLF-HNNXBMFYSA-N 374.575 3.935 0 40 FHAB Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 69350381 IMULRNUNZUBZMV-SUMWQHHRSA-N 370.449 3.920 0 40 FHAB CNC(=O)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 408978484 MJNCSNPKPBDLCG-UHFFFAOYSA-N 356.389 3.505 0 40 FHAB Cc1nc(CNC(=O)c2cccc(NC(=O)c3ccco3)c2)c(C)s1 89548291 FLDZJJIOCGJWOZ-UHFFFAOYSA-N 355.419 3.535 0 40 FHAB Cc1cc2c(cc1/C=C1\S[C](Nc3ccccc3F)NC1=O)OCO2 408803765 AEQBLWFAXOTJJZ-UHFFFAOYSA-N 357.386 3.626 0 40 FHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCc1ccc(OC)c(OC)c1 20491083 BADCTPFCJKLQJX-LJQANCHMSA-N 371.477 3.837 0 40 FHAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)[C@H](C)NC(=O)c1ccco1 21927425 UDLKZWHSQJLFFC-INIZCTEOSA-N 370.493 3.671 0 40 FHAB Cc1ccc(-c2csc3ncc(C(=O)Nc4ccccc4)c(=O)n23)cc1 20768019 ZDCSYCJEGIHQFX-UHFFFAOYSA-N 361.426 3.984 0 40 FHAB CCC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 408545707 MUDHJXGWLMARDG-OAHLLOKOSA-N 360.479 3.714 0 40 FHAB CC(C)NC(=O)COc1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1 33327319 QHDOIBXFTAEIBN-UHFFFAOYSA-N 371.824 3.960 0 40 FHAB Cc1cc(SCC(=O)Nc2cc(C)on2)nc(-c2cccc(F)c2)n1 67257295 QNITXQKUCLQBOM-UHFFFAOYSA-N 358.398 3.618 0 40 FHAB COc1ccccc1CNC(=O)c1ccc(CN2CCC(C)CC2)cc1 38752282 XPNUFXMXTIRMGM-UHFFFAOYSA-N 352.478 3.857 0 40 FHAB Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n(-c2ccccc2)n1 60525450 DUFGIMZNLKKSRD-UHFFFAOYSA-N 356.769 3.995 0 40 FHAB C[C@@H](CNC(=S)NCCSc1ccccc1)N1CCCC[C@H]1C 36847491 VLNDUWHWWIRHLU-CVEARBPZSA-N 351.585 3.506 0 40 FHAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1cccc2c1CCCC2 32958585 RVIDOEVDINSDHM-UHFFFAOYSA-N 365.429 3.938 0 40 FHAB Cn1c(C(C)(C)C)nc2cc(N[C@@H]3CCCC[C@H]3S(C)(=O)=O)ccc21 180063046 IXQORAOOLVRZCD-RHSMWYFYSA-N 363.527 3.639 0 40 FHAB C[C@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)c1cccc(O)c1 1564666657 WJMVKJFOXPJWJE-XOBRGWDASA-N 350.418 3.639 0 40 FHAB O=C(Cc1ccc(-n2cccc2)cc1)N1Cc2cnn(-c3ccccc3)c2C1 567141027 RMVYBQBYCZMWCO-UHFFFAOYSA-N 368.440 3.748 0 40 FHAB COc1ccc(-c2nc(SCC(=O)Nc3ccc(C)cc3)no2)cc1 32611995 YFMQTFMGIOGXTF-UHFFFAOYSA-N 355.419 3.784 0 40 FHAB CC[C@@H]1CCCCN1C(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C 36616061 SRXMBBFWQZNITF-CQSZACIVSA-N 352.438 3.941 0 40 FHAB COc1ccc(-c2nnc3sc(NC(=O)CCC4CCCC4)nn23)cc1 41076460 ZKSPZCSRHSJZFN-UHFFFAOYSA-N 371.466 3.770 0 40 FHAB O=C(NCc1cnc(C2CC2)o1)N1CCCn2c(cc3ccccc32)C1 564172817 GEALEFQWQXDUQL-UHFFFAOYSA-N 350.422 3.622 0 40 FHAB COc1cc(N)ccc1NC(=O)COc1c(C)cc(Cl)cc1Cl 227156869 QUFCDBNLTGZYND-UHFFFAOYSA-N 355.221 3.910 0 40 FHAB COc1ccc(-c2cnn(CCCC(=O)Nc3cc(C)ccn3)c2)cc1 227166588 LUEKPOTWNPNGNS-UHFFFAOYSA-N 350.422 3.681 0 40 FHAB CCOC(=O)c1cccc(NC(=S)NCCOc2ccc(C)cc2)c1C 225562760 NEHJDCRKSIZXOS-UHFFFAOYSA-N 372.490 3.846 0 40 FHAB COC(=O)N1CCc2ccccc2[C@@H]1C(=O)Nc1ccc(F)c(Cl)c1 75165726 UEJKCAHWKUJGIE-MRXNPFEDSA-N 362.788 3.783 0 40 FHAB COc1ccc([C@@H](C)OC(=O)/C=C/c2cn(Cc3ccccc3)nn2)cc1 48312258 DQNYQTLCIBIFCQ-QSOAKEGCSA-N 363.417 3.653 0 40 FHAB Cc1cccc2c1N(C(=O)c1cccc(NC(=O)[C@H]3CCCO3)c1)CCC2 40051494 NRVQVYXEJGRKLT-LJQANCHMSA-N 364.445 3.706 0 40 FHAB COc1ccc(OC)c(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 223319501 QWHFJVLDMFIQOH-AWEZNQCLSA-N 355.434 3.989 0 40 FHAB CCCC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)NCC 223223433 YKLRFZQZPFWQLP-OAQYLSRUSA-N 366.505 3.871 0 40 FHAB CN1CCC(Oc2ccc(NC(=O)CCc3ccccc3F)cc2)CC1 224632544 ISSVFIYSCKSPPL-UHFFFAOYSA-N 356.441 3.870 0 40 FHAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1CCC[C@@H](C)C1 223253224 ALPTYUYMOUNOGP-GCJKJVERSA-N 372.553 3.961 0 40 FHAB C[C@H]1CCCN(CCCNC(=O)CSCc2ccc(Cl)cc2F)C1 223229825 REXGVWDNKZBJJT-AWEZNQCLSA-N 372.937 3.951 0 40 FHAB CO[C@@H](CNC(=O)C1(c2ccccc2)CCOCC1)c1ccc(C)s1 96104729 LYWPFMODXNHBSX-KRWDZBQOSA-N 359.491 3.609 0 40 FHAB Cc1cc(C(=O)N2[C@H]3CC[C@@H]2CC(S(=O)(=O)c2ccccc2)C3)c(C)o1 96099564 ZAXHZMYMIJASPD-BYICEURKSA-N 373.474 3.506 0 40 FHAB Fc1ccc(-c2nc(CN3CCOc4cccc(F)c4C3)no2)c(F)c1 585080272 XAFYKZAYWWMLOC-UHFFFAOYSA-N 361.323 3.549 0 40 FHAB C[C@]12CCCN(C(=O)c3ccc(Cc4ccccc4)nc3)[C@H]1CCCCN2 257324380 WOLUUOOGPCXQSK-GMAHTHKFSA-N 363.505 3.809 0 40 FHAB Cc1cccnc1C(=O)N1C[C@H]2[C@@H](Oc3ccccc3Cl)CC[C@H]2C1 257288750 PVLJMCOXNBMDJK-UXLLHSPISA-N 356.853 3.973 0 40 FHAB Cc1ncoc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257257420 KPNGJKNLGGWYEP-QGZVFWFLSA-N 351.406 3.929 0 40 FHAB O=C(N1CCCC1)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 257254824 KEVPIJLTSSEPLB-UHFFFAOYSA-N 350.462 3.710 0 40 FHAB CN1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cc(-c2ccc(F)cc2)no1 257338654 YYJACDDOZZNRJL-DZJZLKLXSA-N 369.440 3.568 0 40 FHAB CCCn1nccc1-c1cncc([C@H]2CCCN(C(=O)C(C)(C)C)C2)n1 257328507 XFXKXCVXSMCETE-HNNXBMFYSA-N 355.486 3.502 0 40 FHAB C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1cn[nH]c1 618238208 UHYRVAYMXIBPGX-MRXNPFEDSA-N 353.344 3.546 0 40 FHAB O=C(N[C@@H](C1CCCCC1)C(F)(F)F)N[C@@H]1CCO[C@H]1c1ccncc1 626512257 KKWWHNBZYMDXAT-PMPSAXMXSA-N 371.403 3.722 0 40 FHAB Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1)C2 1624211451 PHEQUMOBPPUEGM-XQFWAAQXSA-N 363.457 3.919 0 40 FHAB Cc1cc(C)c(C)c(OC[C@@]2(O)COCCN(C3CCCCCC3)C2)c1 585282661 MIWYLNWJBLNKBW-QFIPXVFZSA-N 361.526 3.777 0 40 FHAB CN(C)C(=O)[C@@]12CC[C@@](C)([C@H](OC(=O)C(Cl)(Cl)Cl)C1)C2(C)C 675030022 IJNQKVFSXCXLQQ-BIGNPOOSSA-N 370.704 3.573 0 40 FHAB Cc1ccc2c(c1)[C@@H]1C(=C(N)O2)C(N)=Cc2ccc(Br)cc21 5602541 PTWNGIPWLPSEGE-MRXNPFEDSA-N 355.235 3.765 0 40 FHAB CN1CCN(c2ccccc2NC(=O)/C=C/c2ccc(Cl)cc2)CC1 5986052 JXEKOWRYVMPZMZ-DHZHZOJOSA-N 355.869 3.744 0 40 FHAB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=S)N[C@H]1c1ccc(O)cc1 12554822 ZLJHVJSGQDIJOB-SFHVURJKSA-N 368.458 3.583 0 40 FHAB Cc1ccc(CCCNC(=O)c2ccc3c(c2)NC(=O)CS3)c(C)c1 15139838 GZRGOIBVBQVDPU-UHFFFAOYSA-N 354.475 3.710 0 40 FHAB O=C(c1ccccc1F)N1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 19347527 BCXTXPZFKLRUQL-ZDUSSCGKSA-N 374.799 3.864 0 40 FHAB Cc1noc2nc(C3CCN(CC4=CCCOC4)CC3)cc(C(F)F)c12 19564977 IKYVKOXJYRSSIA-UHFFFAOYSA-N 363.408 3.995 0 40 FHAB Cn1nccc1CN1CCC[C@@H]1c1ccc(Cc2ccc(F)cc2)cn1 19688410 GCMVMUUPGQCPJX-OAQYLSRUSA-N 350.441 3.882 0 40 FHAB O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1ccccc1)CN2Cc1cccc(F)c1 19712595 RFQXYFNYFOGLNR-VWPQPMDRSA-N 352.453 3.853 0 40 FHAB CC[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(N2CCOCC2)cc1 19717121 DBOOVSOZLGAULE-FQEVSTJZSA-N 356.441 3.886 0 40 FHAB Cn1cnc2ccc(NC(=O)CC3CCN(C4CCCCC4)CC3)cc21 19748329 CXENZKFRZVARST-UHFFFAOYSA-N 354.498 3.947 0 40 FHAB CC(C)OCCN1CCC(NC(=O)N[C@@H]2CC(C)(C)c3ccccc32)CC1 150984630 XPVJZCXGIFISRE-HXUWFJFHSA-N 373.541 3.598 0 40 FHAB C[C@H](O)[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@]4(C)C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 253617549 UUNZVNLAFCAUHR-WOXBQXJNSA-N 350.543 3.892 0 40 FHAB O=C(NCc1ccc(CN2CCCC2)cc1)[C@@H]1Cc2ccccc2S1 21407807 MDZBJVFXIGDZDB-FQEVSTJZSA-N 352.503 3.616 0 40 FHAB COc1ccc(N2C[C@](O)(c3ccc(Cl)cc3)[N+]3=C2CCCCC3)cc1 4086871 MKOZJRHQPHBRMC-NRFANRHFSA-N 371.888 3.999 0 40 FHAB COc1ccc(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)cc1OC 5187323 WPSWOWKEMBPYSO-UHFFFAOYSA-N 374.418 3.583 0 40 FHAB CCOc1ccc(NC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)cc1 5268957 NGLLDTULHAPIEN-UHFFFAOYSA-N 366.392 3.687 0 40 FHAB O=C(Cc1cccs1)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 13695406 NHVSVWUCUMGLCY-UHFFFAOYSA-N 352.415 3.725 0 40 FHAB CC(=O)N1CCc2ccc(NC(=O)c3cccc(Br)c3)cc21 13696036 BJGSIUPENAFXOH-UHFFFAOYSA-N 359.223 3.610 0 40 FHAB Cc1ccc(S(=O)(=O)[C@H](CNC(=O)c2ccccc2)c2ccco2)cc1 17043394 UNNRYCVSDFOYSO-LJQANCHMSA-N 369.442 3.533 0 40 FHAB CO[C@@H]1CCN(c2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)C1 206766764 KTVDVNZYTAEPFN-LJQANCHMSA-N 358.869 3.538 0 40 FHAB O=C(NC[C@@H]1CCCN1c1ccccc1)NC12CC3CC(CC(C3)C1)C2 211120414 SZAFGVVMKPZLKT-BUMILGAPSA-N 353.510 3.923 0 40 FHAB COCCN(Cc1ccsc1)S(=O)(=O)c1cccc(Cl)c1C 44446973 IYDAKRPJVQCOAY-UHFFFAOYSA-N 359.900 3.547 0 40 FHAB CCOC(=O)c1c(NCc2ccccc2OC)c2cc(C)ccc2[nH]c1=O 49001479 QDMLWFHOTACCDG-UHFFFAOYSA-N 366.417 3.634 0 40 FHAB CC(C)CC(=O)Nc1ccc(-c2nc3ccccc3o2)c(OCC(=O)O)c1 20158095 PFVHHQGRAKOTJL-UHFFFAOYSA-N 368.389 3.943 0 40 FHAB Cc1nc2cc(NC(=O)c3csc(Nc4ncccn4)n3)ccc2s1 49032248 LZUOYZJJRWQTFU-UHFFFAOYSA-N 368.447 3.847 0 40 FHAB O=C(CCNC(=O)c1ccco1)N[C@H](c1ccc(F)cc1)C1CCCC1 40117380 SQOJUSHYCGYJAQ-IBGZPJMESA-N 358.413 3.586 0 40 FHAB O=C(C[C@H]1CC[C@@H](C(=O)O)CC1)c1ccccc1I 100449346 RRPWJEVRSVJDIK-XYPYZODXSA-N 372.202 3.755 0 40 FHAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(Cn3cncn3)cc2)cc1 31776446 YDJHINOPNQCBHI-OAHLLOKOSA-N 370.478 3.641 0 40 FHAB CCN(CC)Cc1ccccc1CNC(=O)[C@H](C)Oc1ccc(OC)cc1 11715963 WCRAVESHLOIEID-KRWDZBQOSA-N 370.493 3.621 0 40 FHAB CCn1c(SCC(=O)Nc2ccc(N)cc2C)nnc1C1CCCCC1 928706 LRCRDJZZMRWSGN-UHFFFAOYSA-N 373.526 3.967 0 40 FHAB CCc1ccc([C@@H](C)NC(=O)CSc2nc(-c3ccco3)n[nH]2)cc1 32873572 YFVNCSVXAWRRQL-GFCCVEGCSA-N 356.451 3.597 0 40 FHAB C[C@@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1ccccc1F 32845050 SYABPHWTDAETNJ-BLVKFPJESA-N 356.422 3.632 0 40 FHAB CCCn1nnnc1NCc1ccc(OCc2cccc(C)c2)c(OC)c1 7263375 HXRDSWSMYVJHRR-UHFFFAOYSA-N 367.453 3.591 0 40 FHAB Cc1ccc(C(=O)C2CCN(C(=O)N[C@@H]3COc4ccccc43)CC2)cc1 84148610 XEIRMPMRMZROTF-LJQANCHMSA-N 364.445 3.733 0 40 FHAB Cc1cc(C)nc(SCC(=O)N2CCCCC[C@H]2c2ccncc2)n1 84114626 HLVDVUFLDLWJPR-KRWDZBQOSA-N 356.495 3.724 0 40 FHAB Cc1ccc2c(c1)C(=O)N1CCCC3=NN(c4ccccc4)C(=N)C3=C1N2 33561213 XIZXHCPWUZGGBC-UHFFFAOYSA-N 357.417 3.722 0 40 FHAB Fc1cc2c(c(CN3CCC(COc4ccccc4)CC3)c1)OCOC2 55082297 LXZASNIYMLALHJ-UHFFFAOYSA-N 357.425 3.983 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)c1 28303752 NQOWSMDCCPZXTH-UHFFFAOYSA-N 371.824 3.854 0 40 FHAB COc1ccc(C2=NN(C(=O)C(C)C)[C@H](c3ccc4nccnc4c3)C2)cc1 12420813 YLLGAUHGPFHSSD-NRFANRHFSA-N 374.444 3.972 0 40 FHAB CC(C)C(=O)Nc1ccc(CNC(=O)[C@H](C)OCc2ccccc2)cc1 25148614 NTHNFUBBRMAXAF-INIZCTEOSA-N 354.450 3.503 0 40 FHAB Cc1ccc(-c2noc(-c3cccn3CC(=O)NCCC(C)C)n2)cc1 57486866 BDDYPZSQAWMKEL-UHFFFAOYSA-N 352.438 3.676 0 40 FHAB CCc1cc(=O)n(CC(=O)Nc2ccc3c(c2)CCC3)c(-c2ccccc2)n1 57527404 TZNKDCZRWDFTJB-UHFFFAOYSA-N 373.456 3.600 0 40 FHAB Cc1ccc2c(CC(=O)OCC(=O)N[C@@H](C)c3ccccc3)coc2c1 3288490 GEMXXSBWORNKHL-HNNXBMFYSA-N 351.402 3.704 0 40 FHAB OCCNc1nc2ccccc2n1Cc1cc(-c2ccc(Cl)cc2)no1 44711337 AJRVIIHFAUIDTQ-UHFFFAOYSA-N 368.824 3.797 0 40 FHAB COC(=O)c1ccc(-c2ccc(CN[C@H](C)[C@@H](O)c3ccccc3)o2)cc1 22076845 SWLUUPYQFONYSZ-QVKFZJNVSA-N 365.429 3.945 0 40 FHAB Cn1cc(CC(=O)N[C@H]2CCCc3c2cnn3C(C)(C)C)c2ccccc21 58425948 ZQXIUMANXKENCK-SFHVURJKSA-N 364.493 3.866 0 40 FHAB C[C@@H](Nc1nc(-c2cccnc2)nc2sc3c(c12)CCC3)C(C)(C)O 58430599 CLTGQRXAFXERBV-LLVKDONJSA-N 354.479 3.813 0 40 FHAB Cc1ccc(CN(C)C(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)o1 3343558 LYZWSJORTBHXDF-UHFFFAOYSA-N 374.396 3.661 0 40 FHAB CCCNC(=O)c1c(N)n(-c2cccc(CC)c2)c2nc3ccccc3nc12 2415289 XIQHOMPXLAXKBF-UHFFFAOYSA-N 373.460 3.858 0 40 FHAB O=C1C[C@@H](N(O)c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 2448755 OSPPXKCTEICBAA-CQSZACIVSA-N 351.189 3.521 0 40 FHAB NC(=O)NC(=O)[C@H](Sc1cccc(C(F)(F)F)c1)c1ccccc1 11436300 PPMJQOUCANCSJL-CYBMUJFWSA-N 354.353 3.734 0 40 FHAB CN(CC1CCCCC1)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1 29291573 WIIKSNDDIJQHOI-UHFFFAOYSA-N 371.525 3.837 0 40 FHAB O=C(N[C@@H](C(=O)NCc1ccccc1)c1ccccc1)c1cccs1 48333157 ATCRRFXTNMYLDT-GOSISDBHSA-N 350.443 3.536 0 40 FHAB O=C(c1ccccn1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 3490924 MHJBSDLMCHVSSJ-UHFFFAOYSA-N 372.468 3.870 0 40 FHAB O=S(=O)(Nc1ccc2ccccc2c1)c1ccc2c(c1)OCCCO2 3419200 QYMLOUHPUVUVAB-UHFFFAOYSA-N 355.415 3.802 0 40 FHAB COc1ccc2c(CC(=O)Nc3ccccc3C(=O)NC3CC3)coc2c1 3563950 CFWWENGLMRRFEW-UHFFFAOYSA-N 364.401 3.515 0 40 FHAB O=C(NCc1cccnc1)c1c(-n2cccc2)sc2c1CCSC2 25706088 SZACPYCDTXPPAY-UHFFFAOYSA-N 355.488 3.653 0 40 FHAB CCc1cccc(CC)c1NC(=O)CSc1nc([C@@H]2CCCO2)n[nH]1 27226808 RRIMAVKKYVSXJJ-AWEZNQCLSA-N 360.483 3.512 0 40 FHAB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccccc2CC)CC1=O 4385236 MKKPKXYQMQDVFS-MRXNPFEDSA-N 352.434 3.639 0 40 FHAB COc1cc(C(=O)O[C@H](C)CN2[C@H](C)CCC[C@H]2C)cc(OC)c1OC 4454498 IFISOMHXZPOZTF-RBSFLKMASA-N 365.470 3.521 0 40 FHAB COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)CCC3)N2CCCC2)cc1 14121907 QSPKGBWDRMIGNQ-JOCHJYFZSA-N 364.489 3.751 0 40 FHAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCc2ccc(N3CCCC3=O)cc2)o1 14139735 SOQOEORWIBFXSZ-BEFAXECRSA-N 366.461 3.779 0 40 FHAB O=C(/C=C/c1cc(F)cc2c1OCOC2)N[C@H]1CCCc2ccccc21 8882000 JREXPEBIXQHZJJ-SGQUHAKNSA-N 353.393 3.899 0 40 FHAB COc1cc(NC(=S)NCCc2c[nH]c3ccc(F)cc23)cc(OC)c1 5426511 DXBYOUYYFZLXET-UHFFFAOYSA-N 373.453 3.853 0 40 FHAB Nn1c(SCCOc2ccccc2Cl)nnc1-c1cccc(F)c1 5675039 KRCUGIOTWUBLEU-UHFFFAOYSA-N 364.833 3.623 0 40 FHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)Cn1cnc2ccccc21 5694535 LPUJNCMCZBDJCN-GPMSIDNRSA-N 372.465 3.584 0 40 FHAB Cc1ccc(-c2nnc(NCCc3c[nH]c4ccc(C)cc34)[nH]c2=O)cc1 4818466 YRYXAERGSKKAET-UHFFFAOYSA-N 359.433 3.585 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)N(C)Cc3ccccc3)o2)cc1 5864436 KNAAROJTDUNQDN-UHFFFAOYSA-N 353.447 3.796 0 40 FHAB Cc1nc(-c2ccco2)ccc1C(=O)N1C[C@@H](N(C)C)Cc2ccccc21 67205694 BQCHHNCEWHHCHQ-KRWDZBQOSA-N 361.445 3.783 0 40 FHAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)c(OC)c1 7113207 RLQNOPNKIJOAAV-MRXNPFEDSA-N 366.339 3.833 0 40 FHAB Cc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc(F)c(C)c1)CC3 15841951 AXUJSNBANBTEOI-UHFFFAOYSA-N 356.422 3.742 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2sc3nc(C)ccc3c2N)cc1 7572337 NOFUPSASUGMGIX-UHFFFAOYSA-N 355.419 3.616 0 40 FHAB C[C@H](C(=O)Nc1ccc(F)cc1F)N(C)Cc1cnn(-c2ccccc2)c1 9114562 QTKGFERNMQMCMN-CQSZACIVSA-N 370.403 3.610 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3ccco3)o2)c1C 7726476 DPEUOSVJSRZZDZ-LLVKDONJSA-N 359.407 3.841 0 40 FHAB C[C@H]1CN(C(=O)c2cc3ccccc3cc2NC(=O)C2CC2)CC(C)(C)O1 68539265 LACNYSIBMKRUPP-AWEZNQCLSA-N 366.461 3.828 0 40 FHAB CS(=O)(=O)Nc1ccc(-c2csc(COc3ccccc3)n2)cc1 8042376 WSBDATXXHRLJDE-UHFFFAOYSA-N 360.460 3.761 0 40 FHAB C[C@@H]1C[C@@H](Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)C(=O)O1 8132380 QUWFNVSOTIDELG-MEBBXXQBSA-N 354.435 3.557 0 40 FHAB CN(Cc1nc2ccccc2s1)C(=O)c1cncc(Br)c1 8244180 YGYNISBEWJYLRL-UHFFFAOYSA-N 362.252 3.726 0 40 FHAB Cc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(C)c(C)c3)n2)cc1 78579765 MJFZXVXBPVEQBF-INIZCTEOSA-N 365.433 3.746 0 40 FHAB COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(C)cc1)N(C)CC3)OCO2 19943001 JAQQMTRBQLKIHD-MRXNPFEDSA-N 353.418 3.534 0 40 FHAB biogenic Cc1nc(CSc2ccc(C(=O)NO[C@H]3CCCCO3)cc2)cs1 72058664 AWOHFOIOJBLUMC-INIZCTEOSA-N 364.492 3.932 0 40 FHAB C[C@@H](OC(=O)c1ccc(N2CCCCC2=O)cc1)c1nc2ccccc2[nH]1 84647259 YNVOCVMTEIGJJK-CQSZACIVSA-N 363.417 3.998 0 40 FHAB CC(C)Cn1nc(CC(=O)Nc2ccc3[nH]ccc3c2)c2ccccc2c1=O 95473296 QOLZMSKMJWOHPX-UHFFFAOYSA-N 374.444 3.715 0 40 FHAB CC(=O)Nc1ccc(CC(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)cc1 75106054 PKQKSNDIAIYPCY-ASSNKEHSSA-N 354.425 3.766 0 40 FHAB Cc1nc2cc(C(=O)N(C)CCOc3ccc(Cl)cc3)ccc2n1C 89721599 TVCJVYCHLKVNBZ-UHFFFAOYSA-N 357.841 3.686 0 40 FHAB CCOc1cc(CNC[C@@H]2COc3ccccc3O2)cc(Cl)c1OC 25261789 UZCQNXGLQDJENB-CQSZACIVSA-N 363.841 3.677 0 40 FHAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCC(C)C)cc1 408676379 NLAYQODKPOZFAG-UHFFFAOYSA-N 364.445 3.960 0 40 FHAB O=C1N/C(=C/c2ccc(N3CCCCC3)o2)C(=O)N1Cc1ccccc1F 409096794 LEUXCQGDUHBCOW-SFQUDFHCSA-N 369.396 3.502 0 40 FHAB CCCCn1c(C)c(C(=O)OCC)c2cc(OCC(=O)OCC)ccc21 39193223 UKLOOKMPSUZDAC-UHFFFAOYSA-N 361.438 3.868 0 40 FHAB CC(C)c1nccn1-c1cncc([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 72355385 IBYWOHYVXZCBMP-KRWDZBQOSA-N 367.497 3.682 0 40 FHAB Fc1ccc(CN2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)cc1F 72390044 WGOSBQHAZUUDME-AWEZNQCLSA-N 356.376 3.789 0 40 FHAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCC1CCN(C)CC1 78578815 FCGPJSJPXFZKNY-FQEVSTJZSA-N 354.494 3.845 0 40 FHAB Cc1nccn1-c1nccnc1[C@H]1CCCN(CCCc2ccccc2)C1 72350649 DBUNONFUUDPDFZ-FQEVSTJZSA-N 361.493 3.783 0 40 FHAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1c[nH]nc1-c1nccs1 567606208 FXBBFYZKKQORIT-JTQLQIEISA-N 362.842 3.901 0 40 FHAB COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1 44843301 ZJESPBWFDAQDHP-CYBMUJFWSA-N 361.463 3.509 0 40 FHAB CCOc1ccc(NC(=S)NCc2cccc(N3CCCC3=O)c2)cc1 44077861 DXNYPJJSGGGRFK-UHFFFAOYSA-N 369.490 3.699 0 40 FHAB COc1ccc(S(=O)(=O)N(C)c2ccccc2F)c(Cl)c1Cl 224620864 WMUDJYCMCQLJNO-UHFFFAOYSA-N 364.225 3.966 0 40 FHAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1 224624851 PQQOSCIQKQSKSM-NRFANRHFSA-N 366.505 3.524 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 224879683 HWJJXOGBHILKGC-KRWDZBQOSA-N 370.468 3.620 0 40 FHAB COC(=O)c1cccc(NC(=S)N[C@@H](C)COc2ccccc2C)c1C 225635805 UEDVPCINMSGAKH-AWEZNQCLSA-N 372.490 3.844 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c1 224045489 VZSKQRBIVNVKGY-HOTGVXAUSA-N 357.450 3.965 0 40 FHAB CC[C@H](NC(=O)COc1cccc(C)c1C)c1ccc(OC)c(OC)c1 222822556 QFKNEKGYNRZCAU-KRWDZBQOSA-N 357.450 3.967 0 40 FHAB Cc1ccc(C(=O)N2CC[C@@]3(C[C@H]3C(=O)Nc3cccc(F)c3)C2)cc1 96227215 LTELXZDFODIDDE-GHTZIAJQSA-N 352.409 3.625 0 40 FHAB CC(C)CC(=O)NC[C@H]1CC[C@H](c2c(C(N)=O)sc3ncccc32)CC1 257335899 YMJMWPWJKNGCTN-HDJSIYSDSA-N 373.522 3.831 0 40 FHAB CCCCCC(=O)NC(=S)Nc1ccc(NC(=O)C(C)C)c(OC)c1 5946119 OTGBIZWFNNBFHQ-UHFFFAOYSA-N 365.499 3.683 0 40 FHAB COC(=O)c1ccc(CSc2nccn2-c2cccc(OC)c2)cc1 11200286 ZGFIORCFPYZONI-UHFFFAOYSA-N 354.431 3.960 0 40 FHAB Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1 12329438 IPODWICUONHWCC-NHCUHLMSSA-N 367.489 3.688 0 40 FHAB O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccn1 18110484 AXIJVFRHPRVQAX-UHFFFAOYSA-N 354.413 3.864 0 40 FHAB CC(=O)N1Cc2ccccc2O[C@H]([C@@H]2CCCN(Cc3ccc(C)o3)C2)C1 19216601 WXDOUYDZPYTWSA-GCJKJVERSA-N 368.477 3.610 0 40 FHAB CCC[C@@H](NC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1)c1cccs1 19501840 RKPXJSFLIBHHRD-CYBMUJFWSA-N 357.483 3.760 0 40 FHAB Cc1cccn2cc(C(=O)N3CCC[C@@H](c4nc5ccccc5n4C)C3)nc12 19718976 GYOXHFSAVOJGGA-MRXNPFEDSA-N 373.460 3.549 0 40 FHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCC(C)CC1 19932306 UMNZVWBRVIPMBS-SFHVURJKSA-N 352.906 3.736 0 40 FHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCO[C@H]2CCC[C@@H]21 620432674 SMVBWVFHEDUJHT-KBPBESRZSA-N 364.804 3.836 0 40 FHAB COc1cc(OC)c2c(c1)N(C(=O)c1cnn3cccc(Cl)c13)CCC2 628702142 NEVUXLPKHPNXSD-UHFFFAOYSA-N 371.824 3.598 0 40 FHAB CC(=O)N1CCCCN(Cc2cccc(F)c2)CCOc2ccccc2C1 2037985720 TWPYNUMCRMZRPD-UHFFFAOYSA-N 370.468 3.849 0 40 FHAB COc1ccc(C(=O)Oc2cc3c(C)cc(=O)oc3cc2Cl)cc1OC 641721 HTDAAXWGSCKDEC-UHFFFAOYSA-N 374.776 3.991 0 40 FHAB COc1ccc(C(=O)N2CCN=C2SCc2ccc(F)cc2)cc1OC 4119934 BWWKAJMTVJYMBH-UHFFFAOYSA-N 374.437 3.588 0 40 FHAB O=C(NCCSc1ncc(-c2ccccc2)[nH]1)c1ccc(F)c(F)c1 4315567 MXODZRGDVPFUAC-UHFFFAOYSA-N 359.401 3.877 0 40 FHAB O=C(CN1C(=O)SC(=C2CCCC2)C1=O)Nc1ccc(Cl)cc1 10386569 BRBOOVZAVKYSAU-UHFFFAOYSA-N 350.827 3.802 0 40 FHAB COc1ccc2oc(-c3csc(NC(=O)c4ccnn4C)n3)cc2c1 13655582 DUWZGKWZTNTTJC-UHFFFAOYSA-N 354.391 3.551 0 40 FHAB CNC(=O)C1(Nc2cccc(F)c2)CCN(Cc2cc(C)cc(C)c2)CC1 2055745534 HSVZUNLKNHOOHJ-UHFFFAOYSA-N 369.484 3.635 0 40 FHAB COc1ccccc1CNC(=O)C1=Cc2cc(Cl)cc(OC)c2OC=C1 21797859 GQJDNCUKXQPHMI-UHFFFAOYSA-N 371.820 3.963 0 40 FHAB CCOc1ccc(C(=O)/N=c2\sc3c(C)ccc(OC)c3n2C)cc1 100909042 MEMXGQDLPSKGEY-VXPUYCOJSA-N 356.447 3.697 0 40 FHAB Cc1nn(CCNC(=O)c2cccc(N(C)C)c2)c(C)c1-c1ccsc1 575616130 WWBYOMSEEFVYIP-UHFFFAOYSA-N 368.506 3.724 0 40 FHAB O=c1cc(CN2CCC[C@H]2c2ccc(F)cc2)nc2ccc(Cl)cn12 25445301 XJFJGEDPKPRCLW-KRWDZBQOSA-N 357.816 3.824 0 40 FHAB CCCCN(CC)C(=O)Nc1cc2c(cc1Br)OCCO2 40103736 FURSYDYZCWIRBL-UHFFFAOYSA-N 357.248 3.874 0 40 FHAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)CCc2nc3ccccc3s2)C1 40118848 SFRCPUJYFGJSAY-IYBDPMFKSA-N 359.539 3.713 0 40 FHAB Cc1ccc2cc(CN(Cc3ccccc3)C(=O)C3CC3)c3nnnn3c2c1 1367296 IWMRRTWGSDJQKX-UHFFFAOYSA-N 371.444 3.525 0 40 FHAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1 8014454 RPFQPNXFVYOJII-AWEZNQCLSA-N 366.417 3.624 0 40 FHAB Cc1ccc(S(=O)(=O)N2[C@@H]3C=C[C@@H](C3)[C@@H]2C(Cl)(Cl)Cl)cc1 4892991 KOPDSVZGKUSECV-DMDPSCGWSA-N 366.697 3.683 0 40 FHAB Cc1cccc(CN2C(=O)N/C(=C/C=C/c3ccc(N(C)C)cc3)C2=O)c1 6967195 IUJUWBTYQNITJC-WTYNHFEKSA-N 361.445 3.710 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)c1C 7235895 OBGXWNKVQLIULH-UHFFFAOYSA-N 370.453 3.969 0 40 FHAB C[C@H](NC(=O)c1ccc(Cn2cccn2)o1)c1ccccc1Br 32913086 YLDRBKWMNOXTSS-LBPRGKRZSA-N 374.238 3.778 0 40 FHAB Cc1ccc(-n2nnc(C(=O)N[C@@H](C)CCc3ccccc3)c2C)cc1F 51317744 KUTUGYSCTNXVPS-HNNXBMFYSA-N 366.440 3.774 0 40 FHAB COC(=O)[C@]1(C)[C@H]2[C@H]3CC=C[C@@H]3[C@H]3[C@@H]2[C@@H]2[C@H]4[C@@H]5[C@H](CC[C@@]5(C)[C@H](O)[C@@]34C)[C@H]21 104294592 LOVUPQYSFMEJMR-PIJYZKCPSA-N 368.517 3.523 0 40 FHAB COc1cccc2c1N(C(=O)CSc1nccn1C)C(C)(C)C=C2C 9938267 JQTFIEDKSJAMQW-UHFFFAOYSA-N 357.479 3.750 0 40 FHAB CN(C)[C@H](CNC(=O)CCc1nc2ccccc2s1)c1cccs1 22759672 YPEYHXOANASTSR-CQSZACIVSA-N 359.520 3.710 0 40 FHAB O=C(COC(=O)/C=C/c1cccc(Cl)c1)Nc1cccc2nsnc12 22860571 KFZUPSHQIJVLHK-BQYQJAHWSA-N 373.821 3.540 0 40 FHAB C[C@@H]1CCCC[C@H]1N1CCN(C(=O)COc2ccc3ccccc3c2)CC1 20569877 JJPMFBPUUZHTSC-XMSQKQJNSA-N 366.505 3.942 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)c1ccccc1OC(F)F)c1ccccc1 12531920 KPEFFXNVCUVROH-INIZCTEOSA-N 357.360 3.541 0 40 FHAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccnc1N1CCCC1 23763241 OYNISVUGBPTDKB-UHFFFAOYSA-N 365.433 3.976 0 40 FHAB Cc1csc2nc(CSc3ccc(Br)cn3)cc(=O)n12 12527901 AHKSSOIWYSWHRX-UHFFFAOYSA-N 368.281 3.514 0 40 FHAB O=C(NC1CC1)[C@H](NCC1(N2CCCCC2)CCCCC1)c1ccccc1 24518857 XBOJVCVYPUPVFB-OAQYLSRUSA-N 369.553 3.785 0 40 FHAB COc1ccc(-c2nnc3n2C(C)(C)Cc2cc(OC)c(OC)cc2-3)cc1 1294834 XVLBBAYBMQFPAO-UHFFFAOYSA-N 365.433 3.929 0 40 FHAB Cc1ccc(C)c(-n2nnnc2S[C@@H](C)C(=O)c2ccc(F)c(F)c2)c1 3293493 ICPDOZBQXJAQPR-LBPRGKRZSA-N 374.416 3.921 0 40 FHAB O=C(COc1ccc(Cl)cc1Cl)NCCOc1ccc(F)cc1 23142321 ZPRHBTKEZYEPBD-UHFFFAOYSA-N 358.196 3.707 0 40 FHAB COc1cccc(Sc2nc(-c3ccccc3)ncc2S(C)(=O)=O)c1 1402543 FCIFOFFXRJGMDL-UHFFFAOYSA-N 372.471 3.707 0 40 FHAB OCCNCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1702149 OBQCHJDARJNKJK-UHFFFAOYSA-N 363.457 3.927 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2ccccc2OCC)c1C 3343242 VXXADRUBYSTDJH-CQSZACIVSA-N 358.438 3.890 0 40 FHAB C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cn1 3332490 GZZOZNXGUPKYKQ-GFCCVEGCSA-N 371.824 3.719 0 40 FHAB CC(C)[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1cccs1 26802965 PIHDIGHDDDBZQG-GOSISDBHSA-N 355.463 3.744 0 40 FHAB Cc1nnc([C@@H]2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)s1 23140595 ZBRNCDCMGISAOM-LLVKDONJSA-N 355.385 3.885 0 40 FHAB CCn1nnc2cc(C(=O)OCC(=O)c3oc4ccccc4c3C)ccc21 23951892 RHVAZULNBHFXHO-UHFFFAOYSA-N 363.373 3.546 0 40 FHAB COc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCCC2)cc1 27583899 MVOKRMWMBCMZRV-OAQYLSRUSA-N 352.478 3.961 0 40 FHAB biogenic CCN(C)Cc1cccc(CNC(=O)Cc2coc(-c3ccccc3)n2)c1 58186070 SFKLLPXFOXXXOM-UHFFFAOYSA-N 363.461 3.652 0 40 FHAB O=C(N[C@H](Cn1cncn1)c1ccccc1)c1cc(Cl)sc1Cl 58225546 ZXLDZZYZFXZTGH-GFCCVEGCSA-N 367.261 3.818 0 40 FHAB Cc1nc(C(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)cs1 58428651 FFJAVDIWTDUODU-GOSISDBHSA-N 362.458 3.858 0 40 FHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccc(F)c(Cl)c1 11158891 YXUDZURYWADVFQ-NSHDSACASA-N 361.804 3.655 0 40 FHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)NC(C)C 408705379 DHDINERJCSOZHM-IBGZPJMESA-N 370.449 3.630 0 40 FHAB COc1ccc(CNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1OC 12999492 KMRAEDVLVBQIGI-UHFFFAOYSA-N 364.445 3.994 0 40 FHAB CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2sccc2C(=O)OC(C)C)C1 17075088 PRYRDYOUSIGFQQ-UONOGXRCSA-N 365.451 3.699 0 40 FHAB C[C@H](NC[C@H]1C(=O)O[C@@H]2CC3=CCC[C@@H](C)[C@@]3(C)[C@H](O)[C@H]12)c1ccccc1 4028411 YSIINEYFHDVBCW-QQDLDYALSA-N 369.505 3.622 0 40 FHAB biogenic COc1ccc([C@@H]2CC(O)=Nc3c2cnn3C(C)(C)C)c(OC)c1OC 49544524 LKTMMTINNNRBGJ-LBPRGKRZSA-N 359.426 3.788 0 40 FHAB Cc1ccccc1N1O[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]1c1ccco1 4159753 JLKCCMDOJXCROF-HSALFYBXSA-N 374.396 3.639 0 40 FHAB COc1ccc([C@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)cc1O 4556437 DNUGRCTXVFHBQZ-KRWDZBQOSA-N 373.478 3.658 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)N2CCC(c3nc4ccccc4s3)CC2)no1 8533048 OVZZXWCNEVMZTJ-CYBMUJFWSA-N 370.478 3.799 0 40 FHAB COC(=O)c1c(NC(=O)Oc2ccccc2)sc2c1CC(C)(C)OC2 6662885 HCEYITYFVAPEJV-UHFFFAOYSA-N 361.419 3.997 0 40 FHAB CC(C)n1nccc1NC(=O)COC(=O)c1ccc2c3c(cccc13)CC2 14703025 QMEIHKYIPCMMII-UHFFFAOYSA-N 363.417 3.511 0 40 FHAB Cc1ccc(Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)cc1C 67260772 LQFUYBFONCVIPU-UHFFFAOYSA-N 373.412 3.557 0 40 FHAB C[C@@H]1Oc2c(C(=O)NCc3ccc(N4CCCC4=O)cc3)cccc2[C@@H]1C 8709584 LYMBDSBAUGGBQC-CABCVRRESA-N 364.445 3.628 0 40 FHAB CN(CCc1ccccn1)C(=S)NCCSc1ccc(Cl)cc1 7368109 VUTINHLQSHVLBD-UHFFFAOYSA-N 365.955 3.876 0 40 FHAB Cn1c(SCC(=O)N2CCC[C@H]3CCCC[C@@H]32)nnc1-c1ccccc1 7329697 CLZWLVZNASMJJJ-WBVHZDCISA-N 370.522 3.755 0 40 FHAB COc1ccc(CC(=O)Nc2nn3cc(-c4ccccc4)nc3s2)cc1 9157106 QSQTUAKHCPWVPR-UHFFFAOYSA-N 364.430 3.648 0 40 FHAB CC(C)(C)c1ccc(C2(C(=O)N[C@H]3CCCCNC3=O)CCCCC2)cc1 84284305 WLSRACHLTSOHHD-IBGZPJMESA-N 370.537 3.971 0 40 FHAB C[C@@H](Sc1nc2ncc(Cl)cc2[nH]1)C(=O)Nc1ccc(Cl)cn1 9683408 NSPNNCGAUYMDSH-SSDOTTSWSA-N 368.249 3.779 0 40 FHAB COc1ccc2cc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)ccc2c1 9762695 KLOHYGIGBPVVGZ-UHFFFAOYSA-N 360.413 3.993 0 40 FHAB COc1cccc(S(=O)(=O)c2cnc3ccc(F)cc3c2Cl)c1 85345119 ZVRHFHCCJHQOLL-UHFFFAOYSA-N 351.786 3.869 0 40 FHAB Cc1csc([C@H](NC(=O)c2cccc(-c3noc(C)n3)c2)C2CC2)n1 95961458 OCKQMOMDWGTKER-OAHLLOKOSA-N 354.435 3.691 0 40 FHAB CC(C)c1ccc2cc(C(=O)N3Cc4ccccc4C[C@@H]3C(=O)O)[nH]c2c1 95969903 DXYIUEOHUZDARB-HXUWFJFHSA-N 362.429 3.943 0 40 FHAB Cc1csc(=O)n1CCN(Cc1ccccc1C(F)(F)F)C1CC1 89702601 QGWCBAJUBCBNBX-UHFFFAOYSA-N 356.413 3.902 0 40 FHAB COc1ccc(C2=N/C(=C/c3ccncc3)C(=O)N2c2ccc(O)cc2)cc1 408841772 LFCGOSGSJARCEV-XSFVSMFZSA-N 371.396 3.630 0 40 FHAB O=C(NCCCc1ccccc1)c1n[nH]nc1Nc1ccc(Cl)cc1 67283682 MQGRQJCSPMEAQJ-UHFFFAOYSA-N 355.829 3.564 0 40 FHAB O=C(Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1)c1cccs1 35597372 XGQITAMTLZNCDQ-UHFFFAOYSA-N 362.418 3.720 0 40 FHAB Cc1nn(-c2ccncc2)cc1CNc1ccc(C(=O)NCC(C)C)cc1 512587042 MUSJXZDVDJGQGI-UHFFFAOYSA-N 363.465 3.574 0 40 FHAB CC1CCC(NC(=O)c2cc(=O)[nH]c3ccc(Br)cc23)CC1 71328465 AYVOHLUCTOLRLY-UHFFFAOYSA-N 363.255 3.599 0 40 FHAB Cc1cc(C)cc(NC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1 35288964 AGJPMZJTFSDZKA-UHFFFAOYSA-N 351.450 3.730 0 40 FHAB O=C(c1ccccn1)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 72362255 IHXUESGOAFLHMN-INIZCTEOSA-N 360.417 3.684 0 40 FHAB O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)Nc1ccccc1Cl 70636610 AJIVUTWEFOEZGW-HNNXBMFYSA-N 358.747 3.912 0 40 FHAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(OC3CCCC3)cc2)c1 31245706 IUKGARHZUHJOMD-UHFFFAOYSA-N 374.462 3.632 0 40 FHAB Oc1ccccc1-c1nc(-c2ccccc2O)nc(-c2ccccc2O)n1 72411036 DKRCVUUXEKRTBI-UHFFFAOYSA-N 357.369 3.989 0 40 FHAB Oc1cc(C2CCN(Cc3cccs3)CC2)nc(-c2ccccn2)n1 72392819 DWOKWWYOPXPLQP-UHFFFAOYSA-N 352.463 3.685 0 40 FHAB O=C(O)[C@H](c1ccsc1)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 568060713 LOOVCMYCVWDCLP-INIZCTEOSA-N 368.462 3.539 0 40 FHAB CN(C)c1nc(N2CCCCC2)ncc1NC(=O)Nc1ccc(Cl)cc1 224143896 DBWDISSOUMYHFF-UHFFFAOYSA-N 374.876 3.830 0 40 FHAB Cc1cccc(-c2noc(CN(C)C(=O)CCc3ccccc3F)n2)c1 225814963 DPWUQBBNDDZDCP-UHFFFAOYSA-N 353.397 3.775 0 40 FHAB COc1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)c(N)c2)cc1OC 226268437 FURFKZPVBRYAFY-CQSZACIVSA-N 369.465 3.917 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cccc(Br)n2)C1 40434969 OQMHZMAHOQXZBH-LLVKDONJSA-N 356.264 3.656 0 40 FHAB COCc1cccc(NS(=O)(=O)Cc2ccc(Br)cc2)c1 224186146 DZHVMYGPKNSIHX-UHFFFAOYSA-N 370.268 3.537 0 40 FHAB O=C1CCCN1c1cccc(CNC(=S)Nc2c(F)cccc2F)c1 225646639 PPIBWNQKFCDOOS-UHFFFAOYSA-N 361.417 3.578 0 40 FHAB Cc1nc(C)c(-c2nn3c(Cc4cc(F)cc(F)c4)nnc3s2)s1 95480138 ZSXMQCQEYXYFJY-UHFFFAOYSA-N 363.418 3.795 0 40 FHAB O=C(NCc1ccc(Cl)cc1)c1ccn(-c2ccc3ccccn23)n1 96038034 IFICHFMFVORLAV-UHFFFAOYSA-N 350.809 3.708 0 40 FHAB Clc1ccccc1CNC[C@H]1Cn2cc(-c3ccccc3)nc2CO1 96112886 AQNVEMUTTHQXAQ-KRWDZBQOSA-N 353.853 3.892 0 40 FHAB biogenic,in-vitro O=C(N[C@@H]1CCCOc2cc(F)ccc21)c1cnn(Cc2ccccc2)c1 539680940 RWKRHJOHFHWPRH-LJQANCHMSA-N 365.408 3.714 0 40 FHAB O=C(c1cnccn1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257299032 ROKHIYHVLVTBKU-SFHVURJKSA-N 366.396 3.562 0 40 FHAB CCN1CCN(C(=O)C[C@H](C)c2ccccc2C(F)(F)F)C(C)(C)C1=O 622525488 CLAKFOITSQKHDN-ZDUSSCGKSA-N 370.415 3.668 0 40 FHAB O[C@H](CNc1ncc(Br)cn1)c1ccc(-c2cccs2)o1 1775969950 TWZYTGCHFMGOJK-SNVBAGLBSA-N 366.240 3.706 0 40 FHAB CO[C@H]1CCN(c2ccc(NC(=O)CSCc3ccccc3)cc2)C1 96122218 IOIDCVBJSPLMSV-IBGZPJMESA-N 356.491 3.784 0 40 FHAB COc1ccccc1CN(C)[C@H]1CCC[C@@H](Oc2cccc(C)c2)[C@@H]1O 585289530 RCVRIUKGRVEMMM-KSEOMHKRSA-N 355.478 3.796 0 40 FHAB Cc1nn(C)cc1C(=O)N1CCC[C@@]12CN(c1cccc(F)c1)C(C)(C)C2 1615158002 PIKMLUUMAOTVJB-OAQYLSRUSA-N 370.472 3.531 0 40 FHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)CCC2CCCCC2)cc1 5987186 YNVBVCLVODIJAP-AWEZNQCLSA-N 360.454 3.876 0 40 FHAB O=c1oc2ccccc2n1[C@H]1CCCN(Cc2ccc3ncccc3c2)C1 12089308 OTNCQPUYGFHQJG-SFHVURJKSA-N 359.429 3.980 0 40 FHAB Cc1onc(C(C)C)c1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 12197192 NJAMYQMAPWCYPU-UHFFFAOYSA-N 355.438 3.985 0 40 FHAB Cc1ccc2n1CCN(C(=O)c1cccc(N3CCCC3=O)c1)[C@@H]2C(C)C 12325604 YQAAOEFVNFOTPG-OAQYLSRUSA-N 365.477 3.776 0 40 FHAB CCc1ccc(-c2nc(N3CCOCC3)nc3c2C(=O)c2ccccc2-3)cc1 17076096 CKQYCXSCEDZYSV-UHFFFAOYSA-N 371.440 3.754 0 40 FHAB Cc1ccc([C@@H](NC(=O)c2ccnc(N(C)C)c2)c2ccncc2)cc1C 19213618 YHPOCTGWNZBJJM-NRFANRHFSA-N 360.461 3.679 0 40 FHAB Cn1cc([C@@H](O)CN2CCN(c3ccccc3Cl)CC2)c2ccccc21 19290387 XQDIETYEZQTNBI-NRFANRHFSA-N 369.896 3.687 0 40 FHAB O=C(COc1ccccn1)NCCc1nc(-c2ccc(Cl)cc2)cs1 19402215 ZQEFPFDCLFVAET-UHFFFAOYSA-N 373.865 3.596 0 40 FHAB Cc1cc(C)n([C@@H](C(=O)N[C@H](C)c2ccc3c(c2)CCCO3)C(C)C)n1 19572647 CPZFUMGQKVEFBK-OXQOHEQNSA-N 355.482 3.899 0 40 FHAB Cc1occc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 19679933 GVZWLZXDZUBIHG-UHFFFAOYSA-N 354.328 3.696 0 40 FHAB CC(=O)N1CCO[C@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 19693007 AYUANZGURRHNNS-SFHVURJKSA-N 364.367 3.611 0 40 FHAB O=C(c1cccc(Cl)c1)N1CCN(c2ncccc2C(F)(F)F)CC1 33376795 AYIUFESWJHZWPA-UHFFFAOYSA-N 369.774 3.716 0 40 FHAB Cc1ccn2c(=O)cc(CN(Cc3ccco3)Cc3cccs3)nc2c1 16349989 FOPFOTWCLVLNPJ-UHFFFAOYSA-N 365.458 3.860 0 40 FHAB COc1ccccc1CC(=O)N1CC(n2c(C(C)C)nc3ccccc32)C1 1888951539 NGTKHYSUJHVCJN-UHFFFAOYSA-N 363.461 3.794 0 40 FHAB CN(c1ncc(Cl)cn1)C1CCN(Cc2csc(C3CC3)n2)CC1 1889096045 NXEJQNHOKDZZBG-UHFFFAOYSA-N 363.918 3.565 0 40 FHAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3ccc(F)cc3F)ccc12 14068043 VKSUVWZXLVDYMR-LLVKDONJSA-N 359.328 3.786 0 40 FHAB Cc1cccc(OCC(=O)N2CC[C@@H](Oc3cccc4cccnc34)C2)c1 238945707 WKGFUZOFNWBFJQ-LJQANCHMSA-N 362.429 3.602 0 40 FHAB COc1cccc(NC(=O)NC[C@@H](OC)c2cc3ccccc3o2)c1OC 253473825 YWJSNXWWIHZFCH-GOSISDBHSA-N 370.405 3.959 0 40 FHAB CCOC(=O)c1sc(Nc2nc3cc4c(cc3s2)OCO4)nc1C 4137821 CANZRRMSUUTFFN-UHFFFAOYSA-N 363.420 3.710 0 40 FHAB CCC(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12 4353989 JJCIYOGNTXDDCC-UHFFFAOYSA-N 352.346 3.762 0 40 FHAB CCOc1cc2c(cc1OCC)[C@@H](c1cccc(C(=O)OC)c1)NCC2 19848569 VWFUWNNXMVYIRQ-HXUWFJFHSA-N 355.434 3.506 0 40 FHAB CCOc1ccc2c(c1)s/c(=N/C(=O)CCOc1ccccc1)n2C 100305908 GDTXMSNPNDSJHY-FMQUCBEESA-N 356.447 3.535 0 40 FHAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCS[C@@H](c2ccco2)CC1 207007203 OKZDPGNOGKMIQI-MJICGBHWSA-N 357.431 3.728 0 40 FHAB O=c1c2ccccc2nc(/C=C/c2ccccc2O)n1-c1ccc(O)cc1 4862925 CTVLQPGLWTXVEU-NTEUORMPSA-N 356.381 3.967 0 40 FHAB Cc1cc(C)c(S(=O)(=O)NCc2ccccc2CN(C)C(C)C)c(C)c1 32441268 RCMDTEXFPULABL-UHFFFAOYSA-N 374.550 3.931 0 40 FHAB COc1ccc(-c2csc3c2c(N)nc(=O)n3Cc2ccccc2)cc1 40285357 JQEQTQGOCAYMPJ-UHFFFAOYSA-N 363.442 3.764 0 40 FHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)c1csc2c1CCCC2 31417102 GGAGTZPAQKDGSF-UHFFFAOYSA-N 362.882 3.991 0 40 FHAB Cc1nccc(-c2cccc(NC(=O)c3cncc(Br)c3)c2)n1 32026065 GRORIUYIERQAST-UHFFFAOYSA-N 369.222 3.862 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)ns1 11917193 YXFVTAPQVYLHHW-NSHDSACASA-N 373.409 3.759 0 40 FHAB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccncc1 907573 NMFVSKLLMOUUTJ-UHFFFAOYSA-N 367.478 3.708 0 40 FHAB O=C(NCc1ccccc1)Nc1cccn(Cc2ccc(Cl)cc2)c1=O 1354118 UDLPOVFTCXOLMY-UHFFFAOYSA-N 367.836 3.872 0 40 FHAB COc1ccc(CNCc2ccc(CN3CCC(C)CC3)cc2)cc1O 32776913 PBTVFNKLDIVYCF-UHFFFAOYSA-N 354.494 3.923 0 40 FHAB Cc1cccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c1C 2649811 GVHWQJKHBFTUCU-UHFFFAOYSA-N 366.442 3.604 0 40 FHAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3F)n2C)c1 7235930 PUYVJIVDFWZUDJ-UHFFFAOYSA-N 370.453 3.969 0 40 FHAB C[C@H](OCc1ccccc1)C(=O)NCc1cccnc1OC1CCCC1 46717394 HWDRUXKLSWIRGK-INIZCTEOSA-N 354.450 3.625 0 40 FHAB Cc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(Cl)cc1 8415768 PFGFLEJMASSNSZ-UHFFFAOYSA-N 374.824 3.549 0 40 FHAB CN(Cc1nc(=O)c2sccc2[nH]1)Cc1cccc(Cl)c1Cl 21920454 QQUXQZZSKFRZHM-UHFFFAOYSA-N 354.262 3.923 0 40 FHAB Cc1cc(N2C[C@H](C(=O)NCc3cccs3)CC2=O)ccc1C(C)C 3106281 PGGKJODOYIILOE-OAHLLOKOSA-N 356.491 3.849 0 40 FHAB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](CC(C)C)[C@H]2C1=O 101048156 BMHVPIICEQFDLA-ZCNNSNEGSA-N 364.445 3.720 0 40 FHAB O=C(CCn1cnc2ccccc21)NCC1(N2CCCCC2)CCCCC1 12549922 GVAZNXPCDJWOEL-UHFFFAOYSA-N 368.525 3.731 0 40 FHAB CCN1CCC[C@H]1CNC(=O)c1cnn(-c2ccc(C)cc2)c1C(C)C 75719837 VNZPZOXNZHLQCX-SFHVURJKSA-N 354.498 3.518 0 40 FHAB COc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccccc4)C3)n2)cc1 1362869 XDABYZIXPKAQOA-QGZVFWFLSA-N 363.417 3.765 0 40 FHAB Cc1ccc(-c2nc(C)sc2CC(=O)N[C@@H](C)c2cnn(C)c2C)cc1 24998301 RNINFXQFHDBBKL-ZDUSSCGKSA-N 368.506 3.889 0 40 FHAB Cc1cc(=O)n(CC(=O)Nc2ccccc2F)c(-c2cccc(Cl)c2)n1 57526830 QKJHLRBDCISHJE-UHFFFAOYSA-N 371.799 3.650 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](CC)Oc2ccc(OC)cc2)c1 10446045 ROZIGOJGANPICK-LJQANCHMSA-N 371.433 3.976 0 40 FHAB CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)c1ccccc1 20108729 QUBXFEXVTCWYSK-MRXNPFEDSA-N 366.870 3.593 0 40 FHAB CCCC(=O)N[C@@H]1CCCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 58264572 BLBJVPRBLAYBPP-GOSISDBHSA-N 366.461 4.000 0 40 FHAB CC(C)N1CCOC[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)c[nH]1 67898708 VSRWHWSHROFVQU-HNNXBMFYSA-N 355.360 3.757 0 40 FHAB biogenic,in-vitro O=C(NCc1noc(CSc2cc(F)ccc2F)n1)c1ccccc1 28189635 WWOHPRPVRKDUND-UHFFFAOYSA-N 361.373 3.570 0 40 FHAB CN(C)[C@@H](CNC(=O)c1ccc(COc2ccccc2)o1)c1ccsc1 25329537 PISAODLSXGLNRL-SFHVURJKSA-N 370.474 3.953 0 40 FHAB Cc1cc(C)c2nc(SCC(=O)NC(=O)c3cccn3C)cc(C)c2c1 3361603 CKRCCTBARMLSMK-UHFFFAOYSA-N 367.474 3.547 0 40 FHAB CCCCc1nc(C)c(C(=O)Nc2ccc(F)c(C(=O)OC)c2)s1 48261418 DZUCWFWYXWIZBE-UHFFFAOYSA-N 350.415 3.972 0 40 FHAB C[C@H](NC(=O)c1ccc(-n2cncn2)cc1)c1ccccc1Br 12773577 SVEBCUZXDXLDGU-LBPRGKRZSA-N 371.238 3.521 0 40 FHAB C[C@@H](CNCc1cc(Cl)ccc1OCc1cccnc1)Cn1ccnc1 62254361 SNTAFZVJIOKIIC-INIZCTEOSA-N 370.884 3.936 0 40 FHAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 12809299 MXSDMUFGRFRLKY-MRXNPFEDSA-N 364.367 3.590 0 40 FHAB CCc1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1 12923036 XWFLERDULFMNFI-UHFFFAOYSA-N 367.474 3.948 0 40 FHAB C[C@@H](Sc1nc2ccsc2c(=O)n1C)C(=O)c1ccc(F)cc1F 8723838 ZYFIWGUTYNEGAU-MRVPVSSYSA-N 366.414 3.637 0 40 FHAB Cc1cnnn1-c1ccc(C(=O)Nc2ccc(Br)cc2)cc1 13692982 SUZLBGNMRBSIMO-UHFFFAOYSA-N 357.211 3.591 0 40 FHAB C[C@@H](OC[C@H](O)CNCCCN1CCCCCC1)c1ccc(Cl)cc1 6051593 DNXUXQKZKCFGGZ-YLJYHZDGSA-N 368.949 3.634 0 40 FHAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc2c(c1)OCO2 6203397 BHOBUSRZFCGUAC-UHFFFAOYSA-N 372.384 3.710 0 40 FHAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cccc(Br)c2)[C@@H]1C 6383721 QQEBKXADGXLDAT-LALPHHSUSA-N 368.271 3.547 0 40 FHAB Cc1cc(C)c2nc3s/c(=C\c4c(O)ccc5ccccc45)c(=O)n3c2c1 408721649 WIQQZHYJSDIIOS-ODLFYWEKSA-N 372.449 3.933 0 40 FHAB Cc1cc(Oc2ncccn2)ccc1NC(=O)CN1CCc2ccccc21 65595955 HFEGIICHJPQEOB-UHFFFAOYSA-N 360.417 3.579 0 40 FHAB COC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(SC(F)F)cc1 65726400 UFMGPJYNMJGDPL-HNNXBMFYSA-N 363.385 3.746 0 40 FHAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)[C@H]1CC=CC[C@H]1C(=O)O 6590102 ICVUHQWTNCQJBA-LSDHHAIUSA-N 367.430 3.668 0 40 FHAB CCC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 408584584 RRHHXYLKRASMEP-OAHLLOKOSA-N 367.515 3.561 0 40 FHAB COc1ccc([C@@H]2[C@@H](CN3CCCCC3)C(=O)N2c2ccccc2)cc1 5527083 YOZCZMWRFAHLNU-NHCUHLMSSA-N 350.462 3.885 0 40 FHAB CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccc(F)cc1 4736217 AAYXFDQXWSMPDM-UHFFFAOYSA-N 362.474 3.645 0 40 FHAB CCc1ccc(C(=O)N[C@H](C(=O)N[C@H](C)c2ccccc2)C(C)C)cc1 4704021 DEMYXXGSTIGWSR-UZLBHIALSA-N 352.478 3.881 0 40 FHAB CCc1ccc(-c2noc(CCC(=O)NCc3ccc(F)cc3)n2)cc1 14850537 CCTNSJIWVDPZCO-UHFFFAOYSA-N 353.397 3.687 0 40 FHAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1cccc(Cl)c1Cl 7046708 NLAREJYRMPPEDE-UHFFFAOYSA-N 369.248 3.641 0 40 FHAB Cc1c(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cnn1-c1ccncc1 90089405 KNGWAFICQHSBMY-HNNXBMFYSA-N 360.461 3.946 0 40 FHAB Cc1ccc(-n2c(-c3ccncc3)nn(CN3CCCC3)c2=S)cc1 15554000 YKTOTXZZSXFZPR-UHFFFAOYSA-N 351.479 3.827 0 40 FHAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccc2c(c1)CCC2 8981148 GKXZYPFJUCYUKV-UHFFFAOYSA-N 361.445 3.531 0 40 FHAB C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)N(C)Cc1ccccc1 7472006 NEHOWWRJLDBZOV-CQSZACIVSA-N 352.463 3.611 0 40 FHAB C[C@@H]1CCCN(C(=O)CSc2nnc(Nc3cccc(F)c3)s2)C1 7577023 CJMXRISQCRLEHA-LLVKDONJSA-N 366.487 3.771 0 40 FHAB CC(=O)N[C@@H](C(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1)C(C)C 7756481 XJGSRNUUDWOHIQ-QGZVFWFLSA-N 359.495 3.835 0 40 FHAB COc1ccc(CNC(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)cc1 7922370 MYWXQVGGCFVLIL-AWEZNQCLSA-N 369.490 3.614 0 40 FHAB CCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1cccc(OC)c1 9158390 ZYOBXEHOQCRALZ-UHFFFAOYSA-N 364.445 3.898 0 40 FHAB COc1ccc(CCn2c(C)cc(-c3csc(CC(N)=O)n3)c2C)cc1 8042225 LSDRWEXSOTUCLT-UHFFFAOYSA-N 369.490 3.508 0 40 FHAB CCOc1ccc(-c2nonc2NC(=O)c2ccc(F)cc2)cc1OCC 16752747 CJZSDJBNWDNKAA-UHFFFAOYSA-N 371.368 3.925 0 40 FHAB CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1 9478487 YYQZHYLMFYKRSC-UHFFFAOYSA-N 366.186 3.808 0 40 FHAB Cc1cccc(-c2nnc(SCC(=O)N[C@H](C)c3ccccc3)[nH]2)c1 9582293 QVQGRBQXLKPQEL-CQSZACIVSA-N 352.463 3.750 0 40 FHAB CS[C@H](C)CNC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 84638325 VPBRETBDIPLYHB-LLVKDONJSA-N 353.875 3.580 0 40 FHAB COc1cc(CN[C@@H]2CCCCC[C@@H]2CO)ccc1OCC(F)(F)F 95410524 HAACALIOSSHJNM-HUUCEWRRSA-N 361.404 3.667 0 40 FHAB Cc1csc2nc(CN[C@@H]3c4cccc(F)c4CC[C@@H]3C)cc(=O)n12 95462623 SWGYQQLKCZHSOQ-VOJFVSQTSA-N 357.454 3.617 0 40 FHAB Cc1cc(CNc2cc(C(=O)N(C)C)ccn2)sc1Br 95945593 RYFZWACUAYLAOM-UHFFFAOYSA-N 354.273 3.528 0 40 FHAB Cc1ccc(SCCC(=O)N2CC[C@@H](C(N)=O)c3ccccc32)cc1C 89465370 ORXSTFYIHKEROM-GOSISDBHSA-N 368.502 3.791 0 40 FHAB CC(C)CNC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 409063159 HUYGPNUHLHROJB-UHFFFAOYSA-N 364.489 3.978 0 40 FHAB c1ccc(CN2C[C@@]3(CCN(Cc4cccs4)C3)c3ncccc32)nc1 306123596 ARBWPQFFBRNIPR-NRFANRHFSA-N 362.502 3.702 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc(COc3ccccc3F)o2)c1 408580161 ASUSGKANNOVXND-UHFFFAOYSA-N 373.409 3.827 0 40 FHAB CC1(C)[C@H](Cc2cc(COc3ccccc3)on2)C[C@@H]1NC1CCOCC1 67889995 YKTWQHXDHYGHIC-IERDGZPVSA-N 370.493 3.979 0 40 FHAB biogenic,in-vitro Cc1cc2nc(C3CCN(CC(=O)N4CCC[C@@H](C)C4)CC3)[nH]c2cc1C 35292239 JGZMVDRENKPYBT-OAHLLOKOSA-N 368.525 3.618 0 40 FHAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1 408701692 CWBYFIFRIMNXOP-UHFFFAOYSA-N 352.843 3.662 0 40 FHAB Cc1nccn1-c1cccc([C@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 72378887 CIDFUUMTWNCBKJ-IBGZPJMESA-N 360.461 3.524 0 40 FHAB COc1ccc(C(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)O)C[C@H]2C(C)C)cc1 30882260 GWPGXPDKGZTCFI-LNLFQRSKSA-N 359.466 3.754 0 40 FHAB biogenic,in-vitro Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1Cc1cccc2cccnc12 72336922 WZCOXEAZTMZUBI-PKOBYXMFSA-N 355.445 3.848 0 40 FHAB COc1cc(N)cc(Br)c1NC(=O)c1ccccc1Cl 227146676 BCHXBSWEKOJTBW-UHFFFAOYSA-N 355.619 3.946 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)NCCOc1ccccc1C(C)C 223794440 GKMBSUJDEBDIKP-MRXNPFEDSA-N 357.450 3.781 0 40 FHAB Cc1cccc(OCCNC(=O)CN2C(=O)c3cccc4cccc2c34)c1C 223917305 RFAICQJHQTUTJT-UHFFFAOYSA-N 374.440 3.612 0 40 FHAB CC1(C)OC[C@@H]2C[C@]21NC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 528874796 IGJVONTUHNEJHU-SGTLLEGYSA-N 361.442 3.562 0 40 FHAB CCCOc1ccc(NC(=O)[C@](C)(CC)OCCC)cc1C(=O)OC 225838458 WKMJHDQRVMLNDB-IBGZPJMESA-N 351.443 3.796 0 40 FHAB C[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c2cccnc2O1 333095770 DBVDSIZUSGZHNN-MJEQTWJJSA-N 358.825 3.627 0 40 FHAB COc1ccc(CN2CCc3ncnc(-c4ccc(F)cc4)c3CC2)cc1 96058703 PSYANPJEBABOPO-UHFFFAOYSA-N 363.436 3.892 0 40 FHAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@H]2c2cnccn2)cn1 257203559 AQQYGWMPHBJJKP-FQEVSTJZSA-N 360.417 3.574 0 40 FHAB Cc1cccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CCN3C2CCOCC2)c1 257298130 RKHTWZGMQNNVBS-RTWAWAEBSA-N 356.510 3.520 0 40 FHAB Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C[C@H]1CCCO1 260916575 JPDOXEMRVZTBDI-KBMXLJTQSA-N 359.520 3.603 0 40 FHAB O=C(c1cnc(CN2CCCC2)s1)N1CCCC[C@H]1c1cccnc1 97295067 GLEJIBBFIBIUIQ-INIZCTEOSA-N 356.495 3.501 0 40 FHAB COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)/C=C/c1csc(C)n1 58202501 SSQNXYPVUDFIGM-BBVFFXRHSA-N 372.490 3.681 0 40 FHAB Cc1cc(C)cc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)c1 5610322 NYCYFEWUUAMAOM-LLVKDONJSA-N 351.324 3.905 0 40 FHAB CCOc1ccc([C@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 11169459 XNQBNSDJSYBECM-ZDUSSCGKSA-N 359.422 3.602 0 40 FHAB COc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@@H](c2ccccc2)C4)cc1 13634167 TVRDLNHQWPAPLK-INIZCTEOSA-N 370.412 3.713 0 40 FHAB CCOc1ccccc1OCC(=O)NCc1ccc(CN(CC)CC)cc1 15617265 IMTGSYVHBZFKBO-UHFFFAOYSA-N 370.493 3.622 0 40 FHAB CC1=NN(c2ccccc2)C(=O)[C@H]1C(C)[C@H]1C(=O)N(c2ccccc2)N=C1C 16607684 XXUNMLVXMWONRB-DIJDEUIISA-N 374.444 3.700 0 40 FHAB CCN(CC)CCCNC(=O)c1cc(-c2ccccn2)nc2ccccc12 16740419 NEXJFIAQGXZKFC-UHFFFAOYSA-N 362.477 3.759 0 40 FHAB CCC(=O)N1CCC[C@@](Cc2cccc(-c3cccs3)c2)(C(=O)NC)C1 19498641 BSUQMOBUKQONLJ-NRFANRHFSA-N 370.518 3.722 0 40 FHAB COc1ccc(-c2csc(NC(=O)CCc3ccncc3)n2)cc1F 19559657 QXWYQDPBVLJVHC-UHFFFAOYSA-N 357.410 3.924 0 40 FHAB O=S(=O)(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cccs1 152703984 WYVIIWZTQOCLHQ-UHFFFAOYSA-N 357.869 3.721 0 40 FHAB CCC(=O)N1CCN(CC)C(=O)[C@@H](Cc2cccc(-c3ccccc3)c2)C1 19498920 CWQZPWQTPYBGDW-NRFANRHFSA-N 364.489 3.613 0 40 FHAB Cc1ccc(-n2c(S[C@@H]3CCOC3=O)nnc2-c2ccccc2F)cc1 2640155 COUXBACAJKBRET-MRXNPFEDSA-N 369.421 3.789 0 40 FHAB COc1cccc(-n2ccnc2SCC(=O)N2CCc3ccccc32)c1 2723116 PZHTZOQURXOWFN-UHFFFAOYSA-N 365.458 3.562 0 40 FHAB O=C(COc1ccccc1)Nc1ccccc1-c1nc2ccccc2[nH]c1=O 4320280 ZYKJOFKBQZBETG-UHFFFAOYSA-N 371.396 3.608 0 40 FHAB CCc1cccc2sc(NC(=O)c3cccc(S(C)(=O)=O)c3)nc12 4517978 GFFXKRKEHQXWJT-UHFFFAOYSA-N 360.460 3.515 0 40 FHAB O=C(Nc1ccccc1F)c1cccn(Cc2ccc(Cl)cc2)c1=O 5269308 MSYYEODYGWZOIK-UHFFFAOYSA-N 356.784 3.941 0 40 FHAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccc(Cl)c2)NC(=O)N1 6348377 FZZLIXXIIZESNE-INIZCTEOSA-N 359.788 3.746 0 40 FHAB COc1ccc2[nH]/c(=N\C(=O)CSc3nc4ccccc4o3)sc2c1 13549401 FFGHSFKXZWSLNL-UHFFFAOYSA-N 371.443 3.599 0 40 FHAB CCc1ccc(S(=O)(=O)NCc2cncc(-c3ccsc3)c2)s1 206949908 IKQCTROAYGDZAV-UHFFFAOYSA-N 364.517 3.913 0 40 FHAB C[C@H](N[C@@H](Cc1ccccc1)c1ccccc1)C(=O)NC(=O)NC(C)(C)C 40002630 ZZRCCBMZLYLCCO-LPHOPBHVSA-N 367.493 3.573 0 40 FHAB CCCNC(=O)[C@H](C)NC(=O)C1(c2cccc(Cl)c2)CCCCC1 40051017 LIIWQVNJHWXMOT-AWEZNQCLSA-N 350.890 3.573 0 40 FHAB O=C(Nc1ccc(SC2CCCC2)cc1)c1ccc(-n2cnnn2)cc1 30184013 WEFFYYLQFFGLSQ-UHFFFAOYSA-N 365.462 3.949 0 40 FHAB Cc1cc(C)c2nc(NC(=O)C3CCN(c4cnccn4)CC3)sc2c1 31576337 GRRBGEZVFKHHBG-UHFFFAOYSA-N 367.478 3.558 0 40 FHAB C[C@@H]1C[C@@H](Sc2ncc(-c3ccccc3)n2CC(F)(F)F)C(=O)O1 51971329 UTWNXJPOOVWQMS-ZWNOBZJWSA-N 356.369 3.909 0 40 FHAB COc1ccc2ccccc2c1CNC(=O)c1ccc([S@@](C)=O)cc1 29306039 OLIFIZWXMWLGQG-VWLOTQADSA-N 353.443 3.516 0 40 FHAB CCOC(=O)c1sc(NC(=O)c2ccc(OC(F)(F)F)cc2)nc1C 8388642 NKWZKQKDTOBHTR-UHFFFAOYSA-N 374.340 3.779 0 40 FHAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](C)c3ccccc3)ccc12 846907 OHUPHRRZJKTZSG-GJZGRUSLSA-N 351.402 3.746 0 40 FHAB CCOC(=O)[C@@H](CC)Sc1nnc2c(n1)[nH]c1ccc(Cl)cc12 1366184 MZWSHQKXDLYCRR-LLVKDONJSA-N 350.831 3.593 0 40 FHAB O=C(Cc1coc(-c2ccccc2)n1)N1CCC(c2ccc(O)cc2)CC1 32893006 ZVEOQBHHAAGXMP-UHFFFAOYSA-N 362.429 3.996 0 40 FHAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCC(C)C)c2)cc1 3559964 WOHZKJCEXLOUKT-UHFFFAOYSA-N 374.506 3.596 0 40 FHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)cc(C)c2)c1 3566002 NZVWJHIUNJGOPD-UHFFFAOYSA-N 360.479 3.586 0 40 FHAB COc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCC(C)CC2)cc1 4375675 NQUWDWKVYGPVAA-IBGZPJMESA-N 355.486 3.618 0 40 FHAB CCc1ccc(N2C[C@H](C(=O)Oc3cccc4cccnc34)CC2=O)cc1 7929119 RKQBITHMQOMWCJ-QGZVFWFLSA-N 360.413 3.756 0 40 FHAB CCOc1ccccc1-c1nnc(SCC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)o1 100413318 YKMYAFJFYHFJAB-UMVBOHGHSA-N 373.478 3.532 0 40 FHAB COc1ccccc1NCC(=O)Nc1ncc(Cc2ccccc2F)s1 2887701 NQPRMONGLXTRNY-UHFFFAOYSA-N 371.437 3.932 0 40 FHAB COC(=O)c1noc(C)c1COc1ccc(Cl)cc1Br 22637609 UZXMCBIZNKOPGN-UHFFFAOYSA-N 360.591 3.765 0 40 FHAB Cc1cc(CSc2ccccc2C(=O)Nc2ccc(C(N)=O)cc2)on1 8986785 AIWHXFUQZZCPRV-UHFFFAOYSA-N 367.430 3.627 0 40 FHAB CC(C)=C[C@H]1[C@H](C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)C1(C)C 22839545 UXHFNHUFXPLGCV-MAUKXSAKSA-N 355.482 3.563 0 40 FHAB Cn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccccc1 812952 UECMCQFQIHOOLU-UHFFFAOYSA-N 358.854 3.866 0 40 FHAB O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)c1cccnc1S 61634113 YVHIGERXASHCCD-UHFFFAOYSA-N 374.469 3.698 0 40 FHAB CC(=O)N1N=C(c2c(C)nc3cc(C)ccn23)O[C@H]1c1ccc(Cl)cc1 1016633 ZRHPFNPAXRRTQY-IBGZPJMESA-N 368.824 3.844 0 40 FHAB CCCOc1ccccc1N[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 9336435 NFUKTBGEMIJJPD-AWEZNQCLSA-N 358.438 3.932 0 40 FHAB C[C@H](O)CN(CC(=O)N1CC[C@H](C)Sc2ccccc21)c1ccccc1 106581059 AZQZMLGEHXFTPP-IRXDYDNUSA-N 370.518 3.791 0 40 FHAB COc1ccc(CCC(=O)NCCSC2CCCCC2)cc1OC 20111013 LIJWWVGPVNKYIB-UHFFFAOYSA-N 351.512 3.819 0 40 FHAB O=C(COC(=O)c1ccc2ccccc2n1)N[C@@H]1CCCc2ccccc21 3274727 AGJABNAZQLWKPB-LJQANCHMSA-N 360.413 3.585 0 40 FHAB Cc1ccc(-n2c(=O)c3ccccc3n3c(SC(C)C)nnc23)cc1 9499598 XXKCCDNAOTZRRP-UHFFFAOYSA-N 350.447 3.842 0 40 FHAB C[C@H]1N=C(c2ccc(I)cc2)[C@@H]2[C@@H](c3ccccc3)N21 20601912 CPXNFDWHWPLKFR-FXQRYVMHSA-N 374.225 3.865 0 40 FHAB CC(C)NC(=O)Nc1cccc(C(=O)N(Cc2cccnc2)C(C)C)c1 58357179 PAGCCSZTIGKNSO-UHFFFAOYSA-N 354.454 3.662 0 40 FHAB Cc1nccc(C(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)n1 58407125 TZOAUHBHJMOCQY-UHFFFAOYSA-N 365.477 3.719 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)COc1ccc(Cl)cc1C 3332414 YLUSHOQMRADQOT-UHFFFAOYSA-N 362.813 3.633 0 40 FHAB O=C(COC(=O)CCC(=O)c1cccs1)Nc1ccc(F)c(Cl)c1 3314044 IKPSAFUJNSYOJB-UHFFFAOYSA-N 369.801 3.685 0 40 FHAB COC(=O)CCS[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 11222150 FOXWDCCRXZTWFP-GOSISDBHSA-N 359.447 3.671 0 40 FHAB Cc1nc(CSCC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)no1 45706155 QARGMOXMUXTRHO-AWEZNQCLSA-N 351.859 3.628 0 40 FHAB Cc1c(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)oc2ccccc12 12896205 DFBXJQDLQGJEIH-HNNXBMFYSA-N 360.417 3.804 0 40 FHAB O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1cccc2ncccc12 12806824 UNRJDQOXQDZWEI-UHFFFAOYSA-N 374.444 3.661 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(OC(F)F)cc1 3525050 VWJUZPZBDFGXAF-UHFFFAOYSA-N 350.321 3.507 0 40 FHAB C[C@@]1(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)CC1(Cl)Cl 69515618 JHDNGTONKWZGGJ-INIZCTEOSA-N 352.265 3.853 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)CN(C)Cc2ccc(Cl)cc2)c1C 13135217 VAFDTJSAPNCVTN-UHFFFAOYSA-N 362.857 3.776 0 40 FHAB O=C(COc1ccccc1)NC[C@@H](c1ccccc1Cl)N1CCCC1 27583857 LDERTSPJYRHYSU-IBGZPJMESA-N 358.869 3.672 0 40 FHAB O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)OCc1nnc(C2CC2)o1 63505717 GXHSQDSGFGINLU-LZCJLJQNSA-N 358.781 3.676 0 40 FHAB C[C@@H](Sc1nnc(NC2CCCCC2)s1)C(=O)NCc1ccco1 8749548 BKPYYBVPNBGWCT-LLVKDONJSA-N 366.512 3.673 0 40 FHAB O=C(CCCCCn1nnc2ccccc2c1=O)Nc1cccc(Cl)c1 5205518 DXOYOPOGKSUFKS-UHFFFAOYSA-N 370.840 3.644 0 40 FHAB CS(=O)(=O)c1cc(C(=O)Nc2cccc3cccnc23)ccc1Cl 14108627 KDPJDLOEUOPJQM-UHFFFAOYSA-N 360.822 3.544 0 40 FHAB COCCCOc1ccccc1NC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C 92734140 KNBCODJJIPGNBV-KRWDZBQOSA-N 372.469 3.811 0 40 FHAB CC(=O)[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Br)cc3)=NN12 28467429 SGASZZNXZRENLB-AEFFLSMTSA-N 371.234 3.908 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)NCc2ccccc2CN2CCCCC2)c1C 9313907 FERQRTDZSXDEPI-UHFFFAOYSA-N 367.493 3.750 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)Cn1nc(-c2cccs2)ccc1=O 4986552 FCOSKSZVVQBWHJ-UHFFFAOYSA-N 359.838 3.572 0 40 FHAB O=C(Nc1ccccc1F)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 15630947 BGBFTSYTUNUGKI-UHFFFAOYSA-N 365.408 3.904 0 40 FHAB CCNC(=O)NC(=O)[C@@H](OC(=O)c1ccc(C(C)C)cc1)c1ccccc1 7780049 LRGKAKLMPYXHQU-SFHVURJKSA-N 368.433 3.554 0 40 FHAB Cc1ccc(CNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 8190451 SRDNECBBWMQYGT-UHFFFAOYSA-N 355.825 3.947 0 40 FHAB CC(C)c1nnc(NC(=O)c2cc(-c3ccc(Cl)cc3)nn2C)s1 72405751 ZIEXDBCBYYHFLG-UHFFFAOYSA-N 361.858 3.968 0 40 FHAB O=C(NC[C@@H]1CCCCN1C(=O)NC1CCCCC1)Nc1ccccc1 95353018 GWSJYEWWLGQXMF-SFHVURJKSA-N 358.486 3.705 0 40 FHAB C[C@@H](CSc1ccc(F)cc1)C(=O)NCC1([C@H](C)CCO)CCC1 95463251 HPLPXRANHIYWFG-LSDHHAIUSA-N 353.503 3.859 0 40 FHAB Nc1nc(N)c2c(-c3cccc4ccccc34)c3c(nc2n1)CCCC3=O 20673529 XDVSZTXXFVFPSZ-UHFFFAOYSA-N 355.401 3.528 0 40 FHAB Cc1ccc2c(c1)N(C[C@@H](O)COc1cccc3[nH]ccc13)CCCO2 95459745 QETMBJGYWYCAPQ-MRXNPFEDSA-N 352.434 3.505 0 40 FHAB CCCN1C(=O)N/C(=C/c2ccccc2OCc2cccc(F)c2)C1=O 409240592 HBEAGAWJPPZXGQ-SFQUDFHCSA-N 354.381 3.707 0 40 FHAB CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2F)cc1Cl 20493082 CQNYDMAFNFWLQG-UHFFFAOYSA-N 371.817 3.598 0 40 FHAB CC(C)[C@@H](C)CC(=O)N1C[C@@H]2CCCN(C(=O)C[C@H](C)C(C)C)[C@@H]2C1 75092608 HBZLEBRTGZKYTD-CADBVGFASA-N 350.547 3.800 0 40 FHAB Cn1ncc2c1CCC[C@@H]2NC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 89745452 LHYNGGQPASRYGY-IOASZLSFSA-N 363.383 3.736 0 40 FHAB CCc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1 409192801 BJQNWUQMCHLQAH-UHFFFAOYSA-N 374.506 3.507 0 40 FHAB Brc1ccc(CNCCCN2CCc3ccccc3C2)cc1 556206431 NNBRCRXFMUXACB-UHFFFAOYSA-N 359.311 3.987 0 40 FHAB Nc1cccc([C@@H](C(=O)O)C(=O)OCC2c3ccccc3-c3ccccc32)c1 71791529 XEPCGBYMRBSJLW-NRFANRHFSA-N 373.408 3.793 0 40 FHAB Cc1cccnc1Nc1ccc([C@H]2CCCN2C(=O)Cc2ccccn2)nc1 72353067 CILQHPRABAVKHD-HXUWFJFHSA-N 373.460 3.830 0 40 FHAB COc1ccc(CCN[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1 35335159 LZMWRQJZKKMISR-FQEVSTJZSA-N 365.433 3.504 0 40 FHAB Cc1nc(=O)c2cc(Cl)ccc2n1C1=CCN(C[C@H]2CCC=CO2)CC1 72348331 PZXJUQOTLJAWQN-QGZVFWFLSA-N 371.868 3.598 0 40 FHAB CCCc1ccc(OCCNC(=O)[C@H](C)Oc2ccccc2OC)cc1 224602051 CVJQTEAQMOOJHJ-INIZCTEOSA-N 357.450 3.610 0 40 FHAB O=C(CCSc1ccccc1Br)NCc1ccccn1 46728093 OZUZVMWEXNGXRB-UHFFFAOYSA-N 351.269 3.643 0 40 FHAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1 223842742 DWCLSDYVLDUOQL-MSOLQXFVSA-N 351.431 3.866 0 40 FHAB COCC(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 40108207 AHGMXDDDIJJZOT-LJQANCHMSA-N 372.534 3.734 0 40 FHAB Cc1ccc(OCCNC(=O)CCCc2nc3ccccc3o2)cc1C 224951575 AJOKKXLRBWUCFP-UHFFFAOYSA-N 352.434 3.963 0 40 FHAB CCC(=O)N1N=C(c2ccsc2)C[C@@H]1c1ccc(OC)c(OC)c1OC 226818055 KCQAVPBMGPJQLZ-OAHLLOKOSA-N 374.462 3.862 0 40 FHAB O=C(Nc1cccc(OC(F)F)c1)c1ccc(O[C@H]2CCSC2)nc1 225715735 XKZHAUWEYWTDIU-AWEZNQCLSA-N 366.389 3.820 0 40 FHAB CC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 223270465 BOYZYGRBRSDFNL-UHFFFAOYSA-N 373.261 3.777 0 40 FHAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(CN2CCCCC2)c1 224670692 GMDXUHVRWYLPFS-QGZVFWFLSA-N 370.468 3.895 0 40 FHAB CC[C@H]1CCCCN1CCCNC(=S)Nc1ccc(OC)cc1OC 225581090 HOZSYFKUMMUUPV-HNNXBMFYSA-N 365.543 3.645 0 40 FHAB CCOc1ccc(-c2nc(N)cc(Nc3ccccc3C(=O)O)n2)cc1 49468121 DUQUZPIROGAAGE-UHFFFAOYSA-N 350.378 3.566 0 40 FHAB CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc(F)cc1 224925500 WESUSMUFODLWJE-UHFFFAOYSA-N 373.833 3.712 0 40 FHAB O=C(NC1CCN(c2ccccn2)CC1)c1cnc(-c2ccccc2)s1 46620072 JFXYBFPWRJYGJB-UHFFFAOYSA-N 364.474 3.604 0 40 FHAB COCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1Cl 225639221 WNSKZVNYQVWWOU-UGSOOPFHSA-N 355.862 3.899 0 40 FHAB CCc1cnc(CNC(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)s1 582653015 PKHBRIQTKXALAY-GOSISDBHSA-N 371.506 3.769 0 40 FHAB CCCOc1ccc2cc(S(=O)(=O)/N=c3/cc(C)cc[nH]3)ccc2c1 96305739 LPAXXPVOTFSQFR-UHFFFAOYSA-N 356.447 3.555 0 40 FHAB O=C(NC1CCN(c2cc(-c3ccccc3)n[nH]2)CC1)c1ccccc1F 98212572 PWSNYCNRKBQYMV-UHFFFAOYSA-N 364.424 3.615 0 40 FHAB O=C(CCc1nnc(C(Cl)(Cl)Cl)o1)c1nc2ccccc2[nH]1 95101127 ZQMODYZTISIQNS-UHFFFAOYSA-N 359.600 3.588 0 40 FHAB CSc1ncc(CN2C[C@@H]3[C@@H](CCC[C@@]3(O)c3ccc(C)cc3)C2)cn1 248084665 KNBCWMOYTUBDJR-FBBABVLZSA-N 369.534 3.627 0 40 FHAB COc1ccc2[nH]c(C(=O)N[C@@H]3CCc4cc(OC)c(OC)cc43)cc2c1 524734157 DBTZMWOHCZWOIH-QGZVFWFLSA-N 366.417 3.611 0 40 FHAB Oc1cccc2c1OC1(CCN(Cc3cscn3)CC1)[C@H]1CCCO[C@H]21 257296769 REIDFEQPNSNURA-FUHWJXTLSA-N 372.490 3.744 0 40 FHAB COc1ccc(C(=O)N[C@@H](C)Cc2cc3ccccc3o2)c(OC)c1OC 253472138 JSXDHSSDHBGTLX-ZDUSSCGKSA-N 369.417 3.820 0 40 FHAB Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)c3cscn3)C2)n1 257221308 DOKKZBSGSBBBBC-AWEZNQCLSA-N 368.462 3.515 0 40 FHAB O=C(C1CCC1)N1CCO[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257345075 ZZWANABTUDYPGZ-QGZVFWFLSA-N 360.841 3.619 0 40 FHAB COc1ccccc1C(C)(C)CNC(=O)c1cc(C(F)(F)F)cnc1O 635447548 UDGIVRRHVZKMCA-UHFFFAOYSA-N 368.355 3.522 0 40 FHAB COc1cccc(C2(CNC(=O)N3CCC[C@@H]3c3cccc(C)n3)CC2)c1 638104707 LCNPLHLTLRBYBR-HXUWFJFHSA-N 365.477 3.977 0 40 FHAB C=CC(=O)N(C)CC(=O)NC1(c2cccc(C(F)(F)F)c2)CCCCC1 1137002168 HTVKUMPJVIFWHU-UHFFFAOYSA-N 368.399 3.625 0 40 FHAB CCn1nccc1[C@@H]1OCCC[C@H]1CN1CCC[C@@H]1c1nc(C)cs1 667571808 CSSYASGFFOOHLC-CGTJXYLNSA-N 360.527 3.973 0 40 FHAB Cc1nnc(NC(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)n1C 680274604 UASNTYCUERVYIS-UHFFFAOYSA-N 355.467 3.552 0 40 FHAB CCNC(=O)N(C)c1cccc(NC(=O)N2[C@H]3CC[C@H]2CC2(CC2)C3)c1 626547572 NGEFEDOPBQZWND-IRXDYDNUSA-N 356.470 3.791 0 40 FHAB O=C(O)CCC(=O)N1CCC[C@@H]1c1ccc(Br)cc1Cl 630271084 DUSYZEDZCXDJOO-GFCCVEGCSA-N 360.635 3.631 0 40 FHAB COc1cccc(-n2c(-c3ccccc3)cnc2S[C@H](C)C(N)=O)c1 5174920 KAWUAQOMYARGBV-CYBMUJFWSA-N 353.447 3.514 0 40 FHAB Clc1cccc(-n2ncc3c2ncn2c(-c4cccs4)nnc32)c1 5178004 ZVVGYCKIWCYQSB-UHFFFAOYSA-N 352.810 3.845 0 40 FHAB O=C(c1ccccn1)N1C[C@@H](c2cc(C(F)F)[nH]n2)[C@H](c2ccccc2)C1 12129224 OFLIACCIFXVMMC-LSDHHAIUSA-N 368.387 3.766 0 40 FHAB COc1ccc([C@H](NC(=O)c2csc(C(C)=O)c2)c2ccncc2)cc1 12148485 HZRZOSQOOSCYGQ-IBGZPJMESA-N 366.442 3.874 0 40 FHAB O=C(NCCc1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1 12480882 FQQFFOGXEDEMGB-SFHVURJKSA-N 371.868 3.695 0 40 FHAB CCc1nnsc1C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 12982158 QMXFEEHLKXGZKM-UHFFFAOYSA-N 357.410 3.962 0 40 FHAB COc1ccc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1C 13673522 KIVXNRLUZVTOFK-MRXNPFEDSA-N 361.463 3.584 0 40 FHAB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)NC1CCCC1 14178656 QCMFSZYEEWGSKK-ACCUITESSA-N 351.362 3.821 0 40 FHAB CCN(CC)C(=O)CN1CCC[C@@H](c2ccc(Cc3ccccc3)cn2)C1 19687294 XIXLQAHMGHFNLG-OAQYLSRUSA-N 365.521 3.720 0 40 FHAB COc1ccc(CCC(=O)N2CCC([C@H]3CCCCN3C)CC2)cc1C 19747105 SYIBTWAVZGQIPT-HXUWFJFHSA-N 358.526 3.659 0 40 FHAB O=C1NCCN(Cc2ccccc2)C[C@@H]1Cc1ccccc1-c1cccnc1 19372251 AXYJSKFNALUBRJ-QFIPXVFZSA-N 371.484 3.539 0 40 FHAB Cc1ccc(CN2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)cc1 2037838293 BEFFWGHKIZAJBN-UHFFFAOYSA-N 368.452 3.532 0 40 FHAB Cc1ccc(-c2nnc(NCCN3CCOCC3)c3ccccc23)cc1C 1094832 AUDJOKXSXGJDOW-UHFFFAOYSA-N 362.477 3.658 0 40 FHAB COc1ccccc1C(=O)N1CCN(c2nc3ccc(C)cc3s2)CC1 5180922 PLUCVOCMLRFQOL-UHFFFAOYSA-N 367.474 3.576 0 40 FHAB Cc1cc(C)c2nc(N3CCN(C(=O)c4cccs4)CC3)sc2c1 5182300 GGEFASRHNOBDNL-UHFFFAOYSA-N 357.504 3.937 0 40 FHAB Cc1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(F)c3)n2)cc1Cl 11781436 GBYXJZQQUSFTGP-UHFFFAOYSA-N 371.799 3.645 0 40 FHAB Cc1ccc(F)cc1NC(=O)C1CCN(c2ccc(C3CC3)nn2)CC1 618255962 BEEWZORQWFVMRK-UHFFFAOYSA-N 354.429 3.657 0 40 FHAB CCc1ccc(N2C[C@@H](c3noc(-c4ccccc4OC)n3)CC2=O)cc1 44415785 UIRUTBNPDPOUHN-HNNXBMFYSA-N 363.417 3.828 0 40 FHAB O=C(NCc1ccco1)/C(=C\C=C\c1ccccc1)NC(=O)c1ccco1 13382096 BSMNRFIKTFNOQQ-NKYFOAMLSA-N 362.385 3.516 0 40 FHAB COC(=O)C[C@H](NC(=O)c1cc(F)c(F)cc1Cl)c1ccccc1 40009888 UBEKYKRHWUSUFR-HNNXBMFYSA-N 353.752 3.652 0 40 FHAB Cc1ccc(-c2nc(CN(C[C@@H]3CCCO3)C[C@@H]3CCCO3)cs2)o1 40120174 SBTRQLUDTQBTOD-IRXDYDNUSA-N 362.495 3.872 0 40 FHAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(Br)cc1)OC2=O 100260783 XCUNTGVGLLEZPR-HZPDHXFCSA-N 352.228 3.510 0 40 FHAB CN(C)Cc1nc(SCC(=O)Nc2cccc(F)c2)c2ccccc2n1 31619037 VNBKZMHZVINFMP-UHFFFAOYSA-N 370.453 3.561 0 40 FHAB Clc1ccc([C@H](CCNCCN2CCOCC2)c2ccccc2)cc1 20589660 QRKHJZKPWWACDF-OAQYLSRUSA-N 358.913 3.784 0 40 FHAB O=C(Nc1ccc(F)cc1)[C@@H]1CC(O)=Nc2c(-c3ccc(F)cc3)cnn21 32092820 PVIAEFSLGPVZAC-INIZCTEOSA-N 368.343 4.000 0 40 FHAB N=c1c2c(ncn1Cc1ccccc1)Oc1cc(O)ccc1[C@@H]2c1ccco1 101350223 LBVRCRMHGHENMW-LJQANCHMSA-N 371.396 3.995 0 40 FHAB COc1ccc(CCNC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 8312392 NXHJPQVUQDSSDW-UHFFFAOYSA-N 361.445 3.731 0 40 FHAB COc1ccc(OCCN(C)C(=O)CCc2nc3ccccc3s2)cc1 8306251 JWLUSSUPNUKLHX-UHFFFAOYSA-N 370.474 3.775 0 40 FHAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(Cl)cc1N 2657698 LUDRZPITLKXLCL-UHFFFAOYSA-N 374.868 3.906 0 40 FHAB CC(C)Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(c3cnccn3)C2)cc1 32777421 IUOGKEMPMIOZKI-FXAWDEMLSA-N 366.509 3.769 0 40 FHAB O=C1CCCN1Cc1cccc(C(=O)N2CCCSc3ccccc32)c1 21598548 WTOKBSDZZQHQDS-UHFFFAOYSA-N 366.486 3.952 0 40 FHAB CCCCNC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 2799007 JXOLDCRXCLVGPK-UHFFFAOYSA-N 359.373 3.764 0 40 FHAB CCOc1cc2c(cc1COC(=O)c1ccc(NC(C)=O)cc1)O[C@H](C)C2 32848673 WNTOTGRKUFVIEA-CYBMUJFWSA-N 369.417 3.724 0 40 FHAB O=C(Nc1ccc(F)c(F)c1)c1ccn(COc2ccc(F)cc2F)n1 2787347 ZQNMBJYCIITIOC-UHFFFAOYSA-N 365.286 3.728 0 40 FHAB CCCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1cccnc1 4860994 CZMMSEXUBYOVCV-UHFFFAOYSA-N 367.478 3.789 0 40 FHAB CSc1ccccc1NC(=O)CN(C)Cc1nnc(-c2ccccc2)o1 6607100 MGTPNZHSVHNWOM-UHFFFAOYSA-N 368.462 3.529 0 40 FHAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C)cc2C)cc1 6880323 ZLUIMYAAKQFTEI-UHFFFAOYSA-N 374.506 3.563 0 40 FHAB CCCS(=O)(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 46704779 NBVMYWKHZCHGKS-SFHVURJKSA-N 372.490 3.638 0 40 FHAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)cc2)[nH]1 10475493 LMKHDCFGRFDKMI-UHFFFAOYSA-N 354.435 3.520 0 40 FHAB O=S(=O)(c1cc(F)cc(F)c1)N(Cc1ccco1)Cc1ccco1 10511760 KGPRSCHLJZNDES-UHFFFAOYSA-N 353.346 3.542 0 40 FHAB C[C@@]1(CCc2ccccc2)NC(=O)N(Cc2c(F)cccc2Cl)C1=O 8388710 NBUOFPREQKMHQE-IBGZPJMESA-N 360.816 3.922 0 40 FHAB Cc1ccc(-c2csc(SCC(=O)N3C[C@@H](C)O[C@H](C)C3)n2)cc1 8391466 ABEDXZBKQRXYMS-ZIAGYGMSSA-N 362.520 3.846 0 40 FHAB COc1cc(CNC[C@@H](C)O)ccc1OCc1c(F)cccc1Cl 8535074 QRXBIUOYOXHVTF-GFCCVEGCSA-N 353.821 3.537 0 40 FHAB C=Cc1cc(I)c(OCc2cccnc2)c(OC)c1 8702335 SXTZCZYVFDOOQO-UHFFFAOYSA-N 367.186 3.917 0 40 FHAB CC(C)(C)c1nc2cc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)ccc2o1 103137196 ZGBKNKARCMONSE-QMMBQJITSA-N 354.406 3.587 0 40 FHAB CSc1cccc(NC(=O)CSc2nc(N)c3ccsc3n2)c1 9609834 URJBSVBEYLJJHU-UHFFFAOYSA-N 362.505 3.726 0 40 FHAB CC(C)CNC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 901987 PPIXUWMRVKGGTE-UHFFFAOYSA-N 359.373 3.620 0 40 FHAB CC(C)n1nccc1NC(=O)[C@@H](C)N(C)Cc1c(F)cccc1Cl 23820482 HUBSMQXQYVAYTC-GFCCVEGCSA-N 352.841 3.716 0 40 FHAB CC[C@H]1c2ccsc2CCN1C(=O)C[C@H](C)NC(=O)c1ccccc1 24277202 MTAQFIKVGHLMLS-YOEHRIQHSA-N 356.491 3.793 0 40 FHAB CC(=O)Nc1cccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 12544444 NBYZLVOCMFTDQA-UHFFFAOYSA-N 362.433 3.541 0 40 FHAB COc1c(C)cccc1C(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CN)CC1 100750296 KXVXIPDWBXKBDR-QKLQHJQFSA-N 367.493 3.635 0 40 FHAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc2c(c1)COC2 28218196 LDRVMIVWVMLORL-UHFFFAOYSA-N 369.808 3.692 0 40 FHAB Cc1nc2sccn2c1C(=O)c1ccc(NC(=O)c2ccncc2)cc1 12529922 RMUPYFBDGUAFRT-UHFFFAOYSA-N 362.414 3.583 0 40 FHAB O=C(Nc1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c1)c1cccs1 25209936 KFAOUBUKXMLSPY-GJZGRUSLSA-N 370.430 3.606 0 40 FHAB COc1cccc(NC(=O)Cn2c(-c3ccc(Cl)cc3)n[nH]c2=S)c1 12569266 QPTRYRPDCZMEQA-UHFFFAOYSA-N 374.853 3.908 0 40 FHAB CSc1ccc(Cl)c(C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)c1 3289704 WCPPMXNMIUNZOP-NHYWBVRUSA-N 355.887 3.914 0 40 FHAB O=C1N[C@@H](c2ccc(O)cc2)Nc2c1sc(=S)n2-c1ccccc1 59459458 UXLBIXBZQAOORK-AWEZNQCLSA-N 355.444 3.828 0 40 FHAB CCOc1ncccc1C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 27379933 FQMGYKLOEAKMRY-CQSZACIVSA-N 351.406 3.641 0 40 FHAB CN(C)C(=O)c1cccc(NC(=O)c2ccc(F)cc2Br)c1 12648081 HLGBQDUFKLBHPC-UHFFFAOYSA-N 365.202 3.542 0 40 FHAB Cc1cccc(C)c1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 20112215 DDQBROJQXNTPAF-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB Cc1cc(Cl)ccc1NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 61367932 DBJBKTZBZIYUPQ-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB CN(Cc1ccccc1)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 2230605 ASSARYUTTSZZCZ-UHFFFAOYSA-N 355.825 3.981 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1c1ccccn1 2245958 GIRYGRPCVLYOSO-IBGZPJMESA-N 354.365 3.938 0 40 FHAB O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccccc2F)CC1 3322473 HPUAGRXLKRLDAG-UHFFFAOYSA-N 352.331 3.807 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(Br)cc1 3317170 YKBARKIPZPMPJA-LBPRGKRZSA-N 374.234 3.584 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)C1CCN(C(=O)C(C)(C)C)CC1 12765906 SOAGQUROKRWVEL-UHFFFAOYSA-N 366.889 3.880 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)COc2ccccc2C)c(OC)c1 12773093 UKJOCZSPEXVWBC-GOSISDBHSA-N 355.434 3.755 0 40 FHAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc2ccccc2s1 12886587 AVCYKZSVIRRKAN-HNNXBMFYSA-N 372.515 3.766 0 40 FHAB Cc1cc(=O)oc2cc(OCC(=O)N3CCC[C@@H]3c3cccs3)ccc12 12849265 HLCHMKMIGSKWPS-MRXNPFEDSA-N 369.442 3.905 0 40 FHAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(C)cc2O)c1 12861083 VINLCBFPFXHUDW-UHFFFAOYSA-N 368.462 3.959 0 40 FHAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(C)nc2ccccc12 3516523 QQYMBWDOIYEMIE-CQSZACIVSA-N 364.401 3.736 0 40 FHAB CC(=O)N[C@@H](CC(=O)N(C)Cc1c(F)cccc1Cl)c1ccccc1 3534415 XMCJORNKTPQCKL-SFHVURJKSA-N 362.832 3.705 0 40 FHAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Cc2noc3ccccc23)c1 49114077 FBTVIOBRXQITAS-AWEZNQCLSA-N 365.433 3.671 0 40 FHAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)/C=C/c2ccccc2F)c1 39549106 HTWJFOIONFRTOL-PKNBQFBNSA-N 367.424 3.567 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)CSc1cc(F)ccc1F 14076658 DFQUJNCPGCVUKV-UHFFFAOYSA-N 366.389 3.663 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1C 6438975 XHXXGDDIJHCMSS-QGZVFWFLSA-N 374.506 3.713 0 40 FHAB Cc1ccc(CN(C)C(=O)CSc2nnc(-c3cccs3)o2)cc1 6462903 XHNUNTRSYCBWTN-UHFFFAOYSA-N 359.476 3.857 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1C[C@H](C)O[C@H](C)C1 14129526 KZLBUNHDVGQCJK-FVJLSDCUSA-N 368.477 3.793 0 40 FHAB COc1ccc(CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 14226538 HQGAJUSKMZJIRV-UHFFFAOYSA-N 370.449 3.650 0 40 FHAB COc1ccccc1CNC(=O)c1cccc(C)c1NC(=O)c1ccco1 14282922 RZCNTNKYWPZFTD-UHFFFAOYSA-N 364.401 3.779 0 40 FHAB COc1ccc([C@H](NC(=O)COc2ccc(C(C)=O)cc2)C(C)C)cc1 14201900 UMPKXEPUOWUGCC-OAQYLSRUSA-N 355.434 3.790 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)CCn1c(=O)oc2ccc(Cl)cc21 6760171 QKFUFALCIDDWGD-AWEZNQCLSA-N 372.852 3.776 0 40 FHAB COc1ccc2c(ccn2CCC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c1 96118496 YNMJHPAMVPCBEX-AWEZNQCLSA-N 362.433 3.794 0 40 FHAB COc1cc(C(=O)Nc2ccc(F)cc2)cc(OC)c1Br 7070551 ACODPSSMAQQCEC-UHFFFAOYSA-N 354.175 3.858 0 40 FHAB Cc1cc(S[C@H](C)C(=O)Nc2sccc2C(N)=O)nc2ccccc12 9157827 SSLRIGQXZMLKHY-LLVKDONJSA-N 371.487 3.823 0 40 FHAB O=C(C[C@@H]1OC(=O)c2ccccc21)NCc1ccc(Cl)cc1Cl 7813765 TUNBIKLFKVTTOA-HNNXBMFYSA-N 350.201 3.911 0 40 FHAB COc1cccc(C(=O)Nc2nnc(CCCOc3ccccc3)s2)c1 9667417 ZYLXGAMBRCMYOF-UHFFFAOYSA-N 369.446 3.811 0 40 FHAB COc1ccc([C@H]2C[C@H](C)N(C(=O)CN3CCc4sccc4C3)C2)cc1 84686414 XYQPQWSKFWFYNH-YJBOKZPZSA-N 370.518 3.519 0 40 FHAB CCc1ccccc1OCC(=O)N1CCC[C@@H]1CC(=O)c1cccs1 75106615 UJOXASJZGPOAKF-MRXNPFEDSA-N 357.475 3.953 0 40 FHAB CC(C)c1cccc(N(C)Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1 89893472 LFKYYCTUMOBYAO-UHFFFAOYSA-N 373.460 3.869 0 40 FHAB Cc1sc2nc(SCC(=O)Nc3ccccc3F)nc(N)c2c1C 35313311 BRYAIKVRSDSNCF-UHFFFAOYSA-N 362.455 3.760 0 40 FHAB CCOC(=O)c1ccc(NC(=O)NC(C)(C(F)(F)F)C(F)(F)F)cc1 3188934 UNJPJHPMRZRTJW-UHFFFAOYSA-N 372.265 3.868 0 40 FHAB biogenic O=C(c1cc[nH]n1)N1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 72358058 PLZSPUYRSYFYKG-IBGZPJMESA-N 350.397 3.512 0 40 FHAB O=C(CCc1ccccc1)N1CCC[C@H](c2ccc(-c3cncnc3)cn2)C1 72380120 MHVIFFGJCRDENW-FQEVSTJZSA-N 372.472 3.877 0 40 FHAB CCc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 408707990 MWRMBHRLLOFNKR-MRXNPFEDSA-N 356.853 3.572 0 40 FHAB Cc1ccccc1CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 39743521 TURSAMCSYDNVES-UHFFFAOYSA-N 352.434 3.574 0 40 FHAB COc1ccc(/C=C/C(N)=O)cc1OCc1ccc(Br)cc1 216900610 UICXOXOKYQXBOB-WEVVVXLNSA-N 362.223 3.535 0 40 FHAB COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2C)cc1 35289392 XZBKNLXAAQTMDM-GOSISDBHSA-N 353.422 3.639 0 40 FHAB COC(=O)[C@@]1(CC=C(C)C)C(=O)C[C@H]2CC[C@@H]1N2Cc1cccc(OC)c1 72341109 WBSLODQSNBEOIO-ZWCUEREDSA-N 371.477 3.517 0 40 FHAB COc1ccc([C@@H]2CC(=O)Nc3ncn(-c4ccc(F)cc4)c32)cc1OC 66091720 LJLHAGSUYNENCT-HNNXBMFYSA-N 367.380 3.503 0 40 FHAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)c1 225759591 AHNSLLQORUDKKV-IBGZPJMESA-N 367.489 3.935 0 40 FHAB Brc1ccc(CN2CCN(C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 222205667 RYOUYIJYULFNQK-RCCFBDPRSA-N 361.327 3.779 0 40 FHAB C[C@H]1C[C@@H](C)CN(CCNC(=O)c2cc(Br)ccc2Cl)C1 225073983 MXLBEOPANJWELN-TXEJJXNPSA-N 373.722 3.810 0 40 FHAB CCc1ccc2c(c1)C(=O)CC1(CCN(C(=O)Cc3ccccc3)CC1)O2 225817757 OUXMLTDUJLDGFS-UHFFFAOYSA-N 363.457 3.818 0 40 FHAB O[C@@H](COc1ccccc1)Cn1c([C@H](O)c2ccccc2)nc2ccccc21 82086773 ZRDFPSVZSFPBFL-XMSQKQJNSA-N 374.440 3.558 0 40 FHAB Cc1nn(-c2ccccn2)c(C)c1CCNC(=O)c1ccc(F)cc1Cl 225582157 NSIUKDLAVJHTJR-UHFFFAOYSA-N 372.831 3.649 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1F 224704267 RDHMXEXQSFFXPL-QGZVFWFLSA-N 370.468 3.620 0 40 FHAB CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224896228 VNGGEPJIPKOCHS-UHFFFAOYSA-N 366.870 3.822 0 40 FHAB COc1cccc(OCC(=O)NCCSCc2ccccc2Cl)c1 222787168 RVGLRNGOTCJTMC-UHFFFAOYSA-N 365.882 3.777 0 40 FHAB CCCOc1ccc(NC(=O)C2(OC)CCCCCC2)cc1C(=O)OC 225806134 NWYRYRKVYAHSRF-UHFFFAOYSA-N 363.454 3.940 0 40 FHAB COc1cccc(NC(=O)N2CC(Oc3nc4c(C)cccc4s3)C2)c1 77101046 DBXYRXHNMHISSC-UHFFFAOYSA-N 369.446 3.908 0 40 FHAB CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CC 223475102 LEYDYRZRXVIGHM-HXUWFJFHSA-N 356.441 3.832 0 40 FHAB CCN(Cc1ccccc1C)c1ncc(C(=O)N2CCOCC2)cc1Cl 579048413 QWGOFGTYIAHVCS-UHFFFAOYSA-N 373.884 3.542 0 40 FHAB Cn1cc(C(=O)N2CCCC[C@H]2c2ccn3ccnc3n2)c2ccccc21 257207472 BHXWGFWQZHNIJG-IBGZPJMESA-N 359.433 3.588 0 40 FHAB C/C(=C\C(=O)N1CCCN(C(=O)OCC(C)C)CC1)c1cccc(F)c1 584906816 BRUQHJUYQCQHOC-FOWTUZBSSA-N 362.445 3.556 0 40 FHAB Fc1ccc(CN(Cc2nc(-c3ccoc3)no2)C2CCOCC2)cc1 585082939 XQXMFVVRNSRQPV-UHFFFAOYSA-N 357.385 3.650 0 40 FHAB COc1ccccc1[C@H]1Cn2c(C)cnc2CN1C(=O)c1ccsc1 257280994 ONFUGHAJNFHSJD-MRXNPFEDSA-N 353.447 3.659 0 40 FHAB O=C(OCc1cc(=O)oc2cc(O)ccc12)c1ccc(C(F)(F)F)cc1 5980148 DHKWEXMHUUSMLV-UHFFFAOYSA-N 364.275 3.874 0 40 FHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1cccc(Cl)c1 17305749 CILUAEBDXVUJAZ-AWEZNQCLSA-N 369.856 3.552 0 40 FHAB Cc1noc2nc(C3CCN(C(=O)[C@H]4C[C@@H]4C)CC3)cc(C(F)(F)F)c12 19564525 LWOPAZZMHJFVIH-CABZTGNLSA-N 367.371 3.912 0 40 FHAB CCC[C@@]1(c2ccccc2)NC(=O)N(CCOc2ccccc2C)C1=O 8942318 PYNLUGWBMDRIDY-NRFANRHFSA-N 352.434 3.621 0 40 FHAB CC(C)c1noc(CN2CC(n3c(C(C)(C)C)nc4ccccc43)C2)n1 1889168603 HZJDPUHWUJYFQF-UHFFFAOYSA-N 353.470 3.897 0 40 FHAB COC(=O)c1cccc2c1CCCN2C(=O)c1cc(C)nc2ccccc12 25190716 AXWAFHXCSANLMS-UHFFFAOYSA-N 360.413 3.923 0 40 FHAB O=C(NC[C@H](O)c1ccc(-c2cccs2)o1)Nc1ccc2c(c1)OCO2 1775967108 FURKIVMBIMJAHE-LBPRGKRZSA-N 372.402 3.592 0 40 FHAB COc1ccc(N2C[C@@](O)(c3ccc(C)cc3)[N+]3=C2CCCCC3)cc1 2974575 NCKDUONQOOVDAV-JOCHJYFZSA-N 351.470 3.654 0 40 FHAB CC1=C(C(=O)Nc2cc(C)ccc2C)[C@H](c2ccccc2F)NC(=S)N1 8369916 VAJLJWYDFIYDCL-SFHVURJKSA-N 369.465 3.874 0 40 FHAB CCCCNC(=O)CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 20397476 QZFIZULIQRZAFQ-HNNXBMFYSA-N 359.495 3.656 0 40 FHAB Cc1ccc(N2C(=O)c3ccccc3[C@@H]2C(=O)c2ccc(O)cc2O)cc1 101033975 OLBVRGMZDWMYIE-HXUWFJFHSA-N 359.381 3.991 0 40 FHAB Cc1onc(-c2ccc(F)cc2)c1C(=O)NC[C@H]1Cc2ccccc2O1 32005657 VAVGWMCZJWEVAA-MRXNPFEDSA-N 352.365 3.523 0 40 FHAB COc1ccccc1OCCNC(=O)CCC(=O)c1ccc(Cl)cc1 18075386 LNPCPOOYCXNAOA-UHFFFAOYSA-N 361.825 3.507 0 40 FHAB Cc1cc(S(=O)(=O)NCc2ccccc2)c(Cl)cc1Br 32602092 NSFUADQJRJFIHW-UHFFFAOYSA-N 374.687 3.889 0 40 FHAB CC(=O)c1c(C)cc(C)c(CN2CCN(c3ccccc3O)CC2)c1C 32668173 DJWJIPGEMZQURB-UHFFFAOYSA-N 352.478 3.842 0 40 FHAB COc1cc(CCNC(=O)c2ccc(C(C)=O)s2)ccc1OC(F)F 32768894 NJBJDEIRPSYQSX-UHFFFAOYSA-N 369.389 3.533 0 40 FHAB COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(C)=O 2889580 BHNOUYSSVZCOIP-UHFFFAOYSA-N 354.225 3.923 0 40 FHAB O=C(COC(=O)c1ccc(OCc2ccccc2)cc1)NC1CCCCC1 3490405 IUPKQARGQCLKOM-UHFFFAOYSA-N 367.445 3.871 0 40 FHAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1C 3598432 WEAQEUPRLYLJNM-UHFFFAOYSA-N 372.490 3.730 0 40 FHAB O=C(Nc1ccc2c(c1)OCCO2)C1(c2cccc(Br)c2)CC1 84363337 ADZYREDJXOPLSV-UHFFFAOYSA-N 374.234 3.891 0 40 FHAB CCOC(=O)C1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 2734619 DLERBDLFWJCZBV-NSHDSACASA-N 374.264 3.562 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CCCC3)c2C)cc1 10314561 DVSHWLLCJLWDFP-UHFFFAOYSA-N 372.490 3.777 0 40 FHAB CC(C)(C)c1nc2cc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)ccc2o1 103137198 ZGBKNKARCMONSE-GREKMHCPSA-N 354.406 3.587 0 40 FHAB COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccco1)N1CCCCC1 22678358 PAZYOHQDMRCDJI-MRXNPFEDSA-N 362.857 3.899 0 40 FHAB CCOc1cc(/C=C/C(=O)Nc2ccccc2CN(C)C)ccc1OC 24643344 CQHGTUQAYFAPQV-ACCUITESSA-N 354.450 3.807 0 40 FHAB COc1cc([C@@H](C)NCc2ccc3c(c2)CC(C)(C)O3)ccc1OCCO 105422696 RNLUSVFVCISYBZ-OAHLLOKOSA-N 371.477 3.631 0 40 FHAB COC(=O)c1ccoc1CSc1nc(C2CC2)n(-c2ccccc2)n1 24039795 ITMHYIPGSCPZKO-UHFFFAOYSA-N 355.419 3.817 0 40 FHAB Cc1cc(C)n(-c2ccc(NC(=O)CSc3ccc(F)cc3)cn2)n1 24571891 NBIRYEZXRNKAEI-UHFFFAOYSA-N 356.426 3.754 0 40 FHAB O=C(c1ccc(Br)cc1)c1cccc(CN2CCOCC2)c1 43210996 TWFVOKBDMFIATF-UHFFFAOYSA-N 360.251 3.512 0 40 FHAB O=Cc1cccc(Br)c1N1CCN(Cc2ccccc2)CC1 95080971 GPRHCOKCSYYNPW-UHFFFAOYSA-N 359.267 3.584 0 40 FHAB CC[C@H](NC(=O)C[C@H]1C=CCC1)c1ccccc1OCC(=O)N1CCCC1 55596698 UOJOMZAMNUHWPZ-HKUYNNGSSA-N 370.493 3.611 0 40 FHAB CCCOC(=O)Cn1cnc2scc(-c3ccc(C)c(C)c3)c2c1=O 1778478 VDPKJDWYSGTCGD-UHFFFAOYSA-N 356.447 3.695 0 40 FHAB CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(OC)cc2)cc1Cl 20030006 NETKVAVLQCOFST-GFCCVEGCSA-N 369.870 3.787 0 40 FHAB Cc1ccc(N[C@@H]2CC(=O)N(c3ccccc3Br)C2=O)cc1C 101276889 IIUIGEXHHSZXTB-OAHLLOKOSA-N 373.250 3.810 0 40 FHAB COc1cc(/C=C/C(=O)Nc2nnc(C3CC3)s2)ccc1OC(F)F 3297667 JUDDBBVLKIUZOS-XVNBXDOJSA-N 367.377 3.677 0 40 FHAB Cc1ccc(C(=O)N(C)C2CCCCCCC2)cc1NS(C)(=O)=O 58231453 PSDPTAPQCYWZIM-UHFFFAOYSA-N 352.500 3.551 0 40 FHAB Cc1ccc(NC(=O)CNc2ccccc2N2CCCC2=O)c(Cl)c1 12606532 MZAAIYXWJBOKIV-UHFFFAOYSA-N 357.841 3.826 0 40 FHAB O=C(NCc1ccccc1CN1CCCC1)N[C@@H]1CCOc2ccccc21 45115953 VLSREUWHCRIQLM-HXUWFJFHSA-N 365.477 3.605 0 40 FHAB Cc1ccc(OCCC(=O)OCC(=O)N(c2ccccc2)C(C)C)cc1 3368743 QOQGPKWQCJUGOD-UHFFFAOYSA-N 355.434 3.749 0 40 FHAB C[C@@H]1CCc2sc3nc(NN)n(-c4ccc(Cl)cc4)c(=O)c3c2C1 2387615 FQCBZNIMYXLUTP-SECBINFHSA-N 360.870 3.511 0 40 FHAB CCOC(=O)[C@@]1(C)C=C(Nc2ccc(C)cc2)C(=O)N1c1ccccc1 2331848 PRBLPODHTSUBFZ-OAQYLSRUSA-N 350.418 3.659 0 40 FHAB CCOc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cc1 10959836 FHAUDUXHTHZWFD-AWEZNQCLSA-N 369.417 3.654 0 40 FHAB CCOC(=O)Cc1csc(NC(=O)Cc2coc3c(C)c(C)ccc23)n1 11167230 MDGPADCPVBGSFZ-UHFFFAOYSA-N 372.446 3.793 0 40 FHAB CN(C)[C@H](CNC(=O)c1cc(Br)ccc1F)c1cccs1 36685219 YNDFCTPGIAWUTP-CYBMUJFWSA-N 371.275 3.682 0 40 FHAB NC(=O)[C@H](c1ccc(F)cc1)N1CCC(c2c[nH]c3ccccc23)CC1 12790660 PQEAFUBYYBJERC-FQEVSTJZSA-N 351.425 3.713 0 40 FHAB O=C(C1CCN(Cc2cc(-c3ccccc3)no2)CC1)N1CCCCC1 12786783 JTALUQOQDNZMRV-UHFFFAOYSA-N 353.466 3.566 0 40 FHAB C[C@H](OC(=O)c1ccc(OC(F)F)cc1)C(=O)Nc1ccccc1F 3495417 ZHJOGGUKIFJQQG-JTQLQIEISA-N 353.296 3.611 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 13096426 AUOAMDBMESBGKT-GOSISDBHSA-N 367.493 3.818 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H](NC(=O)C1CCC(C)CC1)C(C)C 3895824 NIPIGDMAHDGCHW-RJYAGPCLSA-N 360.498 3.991 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCCSc2ccccc2)C1 18214760 IWIBWSHOBWHXHX-HNNXBMFYSA-N 364.511 3.542 0 40 FHAB COc1cccc(-c2n[nH]c3c2[C@@H](c2nc(C)n4ccccc24)CC(=O)N3)c1 65405302 XRTJYNCUCGAZBM-HNNXBMFYSA-N 373.416 3.516 0 40 FHAB COC(=O)[C@@](C)(NC(=O)c1cc(C)nc2cc(F)ccc12)c1ccccc1 65591063 CVMJFDHAKNRZOJ-NRFANRHFSA-N 366.392 3.501 0 40 FHAB Cc1ccccc1-n1cnnc1SCC(=O)N1c2ccccc2C[C@H]1C 4501179 SPBXAUGDBWGOTQ-OAHLLOKOSA-N 364.474 3.646 0 40 FHAB CC1CCN(C(=O)COC(=O)COc2ccccc2-c2ccccc2)CC1 5445486 ININJVFQKBAOSX-UHFFFAOYSA-N 367.445 3.534 0 40 FHAB O=C(Nc1nc2ccc(F)cc2s1)C1=NN(c2ccccc2)C(=O)CC1 5559121 CUWKDMHMHGQIPV-UHFFFAOYSA-N 368.393 3.557 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)n1cc(C)nc1-c1ccccc1 4744783 NYNWMSVASNGDNF-UHFFFAOYSA-N 362.838 3.758 0 40 FHAB Cc1cc(C)cc(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)c1 7927239 RVWGJPSVJMRWNU-SFHVURJKSA-N 358.507 3.985 0 40 FHAB CN1C(=O)CC[C@@H](C(=O)Nc2ncc(C(C)(C)C)s2)[C@H]1c1ccccc1 81234304 RVCBAGJSPGPHDY-RHSMWYFYSA-N 371.506 3.989 0 40 FHAB CCOC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@@H]1c1ccc(F)cc1 16494833 OLNSTDQCHQBTRX-QGZVFWFLSA-N 374.437 3.991 0 40 FHAB CC(C)[C@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccccc1 8003245 ZSAJUVGRMSTLOF-NRFANRHFSA-N 365.477 3.504 0 40 FHAB COc1ccc(-c2n[nH]c(Sc3nc4ccccc4o3)n2)c(OC)c1 69000495 FBAWNURKYVPKJQ-UHFFFAOYSA-N 354.391 3.781 0 40 FHAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1n[nH]c2ccccc12 8186022 UEKXBIIDUSGSAK-UHFFFAOYSA-N 372.432 3.800 0 40 FHAB Cn1cc([C@H]2C[C@H]2C(=O)Nc2ccnn2Cc2cccc3ccccc23)cn1 72277082 KMWMKVIESPNODN-WOJBJXKFSA-N 371.444 3.560 0 40 FHAB CCc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCOC)cc1 8338676 CAWZVZONLRQTEI-IBGZPJMESA-N 363.413 3.547 0 40 FHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Oc1ccccc1 78579741 QKBCVOUCNKDWOV-ZDUSSCGKSA-N 357.435 3.614 0 40 FHAB CN(CN1N=C(c2ccc(F)cc2)CCC1=O)[C@@H]1CCc2ccccc21 95949320 QPHLQHTYBMXKFX-HXUWFJFHSA-N 351.425 3.729 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[C@H](C2CCN(C)CC2)C1 89644268 RFASCRIVTJIPDV-RDJZCZTQSA-N 363.933 3.639 0 40 FHAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(SC)cc2)NC(=S)N1 408602609 CTUXYCGURAFSMG-OAHLLOKOSA-N 350.509 3.545 0 40 FHAB Cc1ccc(/C=C2\SC(=O)N(CC(=O)N(C(C)C)C(C)C)C2=O)s1 409210429 JYSNMTMUFWLFRE-ZSOIEALJSA-N 366.508 3.738 0 40 FHAB COc1ccc(Cl)cc1/C=C1/NC(=O)N(Cc2ccc(C)cc2)C1=O 409239171 OQXOTJDFHMFXEF-MHWRWJLKSA-N 356.809 3.750 0 40 FHAB O=C(COc1cccc(Cl)c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 28318605 MDXGTYMGIZPMTE-KRWDZBQOSA-N 373.836 3.854 0 40 FHAB O=C(CSc1ccccc1)N1CCN(Cc2ccccc2Cl)CC1 27924378 YQSCTTZWOOERCH-UHFFFAOYSA-N 360.910 3.777 0 40 FHAB O=C(c1ccc(Cl)cc1)N1CCc2[nH]c3c(F)ccc(F)c3c(=O)c2C1 67350053 GSNMGOLZIPZNMC-UHFFFAOYSA-N 374.774 3.658 0 40 FHAB COc1cc(NC(=O)Nc2c(F)cccc2F)ccc1N1CCCC1=O 38489760 XMLRQQJVFVLIFY-UHFFFAOYSA-N 361.348 3.744 0 40 FHAB Cc1n[nH]cc1C(=O)N1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 72349749 RFUVNTWSCIUWIC-MRXNPFEDSA-N 364.424 3.939 0 40 FHAB COc1cccc(-c2noc(CN(C)C(=O)Cc3cc(C)ccc3C)n2)c1 219277901 MUDRSQHOJSLHSA-UHFFFAOYSA-N 365.433 3.563 0 40 FHAB Nc1cc(-c2c[nH]nc2[C@@H]2CCCCN2C(=O)Nc2ccccc2)ccn1 72360784 FTKDGZPVVFKSGT-KRWDZBQOSA-N 362.437 3.813 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 218974569 INBBHJAEBIQVOW-ZDUSSCGKSA-N 371.824 3.782 0 40 FHAB COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(-c3nc4ccccc4o3)c2)C1 45887396 NDIUQRHEWROZFD-NSHDSACASA-N 370.792 3.674 0 40 FHAB COc1ccc(CCC(=O)NCCCN2c3ccccc3C[C@@H]2C)cc1 225318171 XJGYQGMDDCJTBP-KRWDZBQOSA-N 352.478 3.585 0 40 FHAB C[C@H]1CCC[C@H](NC(=O)[C@@H](C)N2CCO[C@H](c3ccc(F)cc3)C2)[C@@H]1C 40060999 PNKNKOHTAWTGAW-ZOTMLPGNSA-N 362.489 3.528 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)cc1 224067752 ZYLNBKWXCZUCMX-UHFFFAOYSA-N 354.337 3.910 0 40 FHAB CC(C)(C)OC(=O)N1CCC(Oc2cccc(Br)n2)CC1 40434948 MDUIWJYYYVMAJL-UHFFFAOYSA-N 357.248 3.622 0 40 FHAB O=C(c1ccc(Cl)cc1)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 225485396 RYLMBYVHZGILRN-INIZCTEOSA-N 374.799 3.850 0 40 FHAB biogenic,in-vitro Cc1cc(C)cc(O[C@H](C)C(=O)NCc2cccc(CN3CCCC3)c2)c1 224626776 LEBKHBGGADMFCO-LJQANCHMSA-N 366.505 3.983 0 40 FHAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(N2CCCCC2)cc1 81810009 RYQBWSVANUXMQV-UHFFFAOYSA-N 365.477 3.766 0 40 FHAB O=C(c1ccc2c(c1)OCO2)N1CCC(COCc2ccc(F)cc2)CC1 75156562 TWPTWOYBZCLADS-UHFFFAOYSA-N 371.408 3.623 0 40 FHAB Cc1cccc(CS(=O)(=O)NCc2ccc(CN3CCCCC3)cc2)c1 44874785 RLYPUFNWHYBHEU-UHFFFAOYSA-N 372.534 3.601 0 40 FHAB CCCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 224053210 XCWOXNXLDYVCQN-UHFFFAOYSA-N 366.870 3.589 0 40 FHAB CCc1ccc(NC(=S)NCCCN2CCc3ccccc3C2)cc1 225742660 UCWJTZPWBOOYCB-UHFFFAOYSA-N 353.535 3.984 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)COc2ccc3ccccc3c2)cc1 222834427 GOXGPDXTBRBLCN-MRXNPFEDSA-N 365.429 3.811 0 40 FHAB CCOc1ccccc1NS(=O)(=O)c1cc2c(cc1OC)CCCC2 223416202 QYHQCAMFGHPPSL-UHFFFAOYSA-N 361.463 3.774 0 40 FHAB Cc1cccc(CSCC(=O)N(C)Cc2nc(-c3cccs3)no2)c1 222748021 HPXCEOJLUATUCZ-UHFFFAOYSA-N 373.503 3.998 0 40 FHAB Cc1cc(C)cc(N(CC(=O)O)S(=O)(=O)c2ccc3ccccc3c2)c1 225043912 LCDVVLIYCZHDDY-UHFFFAOYSA-N 369.442 3.737 0 40 FHAB CCOc1ccc(-c2nc(NC(=O)C(C)C)sc2CC(=O)O)cc1C 85397432 HQOQXTFYRCJBOQ-UHFFFAOYSA-N 362.451 3.739 0 40 FHAB COc1ccc(Cl)cc1C1(c2noc([C@H]3CCc4n[nH]cc4C3)n2)CC1 576615574 ZNPHKQKONHWGPN-NSHDSACASA-N 370.840 3.807 0 40 FHAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1ccc(F)c(Cl)c1 95472511 YWILDTFVGSINHA-ZDUSSCGKSA-N 355.822 3.974 0 40 FHAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccc(O)cc2)S1 96117471 OINHZXXIAXFGON-CZUORRHYSA-N 373.478 3.898 0 40 FHAB C[C@@H](Oc1ccccc1F)C(=O)N1[C@H]2CC[C@H]1CC(Oc1ccncc1)C2 238823521 DEWFQCHGVDFSGS-PMPSAXMXSA-N 370.424 3.589 0 40 FHAB Cc1cccc(CO[C@@H]2CSC3(C2)CN(C(=O)c2ccc(C)s2)C3)n1 247814591 CALAYEUXDBJLHA-INIZCTEOSA-N 374.531 3.677 0 40 FHAB CON(C)C(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 257173882 ZYOVLSDBYQUXLX-MSOLQXFVSA-N 372.490 3.705 0 40 FHAB O=C(c1cncs1)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257263994 LSJYRTVLLLWKNH-HNNXBMFYSA-N 357.410 3.838 0 40 FHAB Fc1ccccc1Oc1nccnc1[C@H]1CCCN(Cc2c[nH]cn2)C1 257226034 FIWDRBRMLJFKTK-AWEZNQCLSA-N 353.401 3.511 0 40 FHAB CC(C)n1nccc1-c1nccnc1C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 257302779 SEJROWSEODRIFX-INIZCTEOSA-N 369.513 3.748 0 40 FHAB Cc1nc(-c2c(C)noc2C)cc(C2CCN(Cc3nccs3)CC2)n1 257303715 SIKRSXXWWYBYRU-UHFFFAOYSA-N 369.494 3.893 0 40 FHAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H]2C[C@H](O)C23CCC3)c1 666475542 GBYSIQFPTHGLSD-CABCVRRESA-N 365.861 3.504 0 40 FHAB O=C(NCCn1cc(-c2ccccc2)nn1)c1cccc(Cl)c1Cl 1181339371 XDPJCAKSVBFZCH-UHFFFAOYSA-N 361.232 3.682 0 40 FHAB COC(=O)C1(C(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)CC2(CCC2)C1 597627480 NIHILKRXKPSBSI-ZDUSSCGKSA-N 373.415 3.691 0 40 FHAB C[C@H]1CCCN(C(=O)c2nc3c(o2)CCN([C@H](C)c2ccccc2)C3)C1 585112914 WQGBQQBKQGBLIA-JKSUJKDBSA-N 353.466 3.666 0 40 FHAB COC(=O)Nc1ccc(CNC(=O)COc2ccc3ccccc3c2)cc1 47373160 AMGMHIXELOTZNR-UHFFFAOYSA-N 364.401 3.713 0 40 FHAB COc1ccc(CNC(=O)c2csc(-c3cccc(Cl)c3)n2)cn1 65563520 SITAFKCQBTYYRJ-UHFFFAOYSA-N 359.838 3.797 0 40 FHAB CC1(C)[C@H]2C[C@@H]3OB(B4O[C@@H]5C[C@H]6C[C@H](C6(C)C)[C@@]5(C)O4)O[C@]3(C)[C@@H]1C2 169807872 VNEZFUGEQURPEN-RYNHCWLZSA-N 358.096 3.521 0 40 FHAB COC(=O)c1cccc(NC(=O)/C(Br)=C/c2ccccc2)c1 955246 GXOCLTPJBSZHRO-GDNBJRDFSA-N 360.207 3.848 0 40 FHAB Cc1cccc(OC[C@@H]2CCCN(C(=O)NCc3ccc(F)cc3)C2)n1 1775971070 MIEGDCBGLHMZDA-QGZVFWFLSA-N 357.429 3.530 0 40 FHAB COc1cc(OC)c([C@@H]2Nc3cc(Cl)ccc3C3=NCCN32)cc1OC 12188531 KHFHNYOSSMLERM-LJQANCHMSA-N 373.840 3.552 0 40 FHAB C[C@@H]1CCCN(C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)C(C)(C)C)C1 12291608 ZPEYWJQWUCUFET-OXQOHEQNSA-N 358.526 3.777 0 40 FHAB O[C@@H](CN1CCC(O)(c2ccccc2F)CC1)c1ccc2c(c1)CCCC2 12292606 VVDQKUXSOXMJEU-QFIPXVFZSA-N 369.480 3.722 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)c1 13668559 DZYDCWPKQBNSAY-CQSZACIVSA-N 357.406 3.586 0 40 FHAB CCCn1c(SCC(=O)N2[C@@H](C)CCC[C@H]2C)nnc1-c1cccnc1 17887363 XQLBDRUWIHQRJK-GASCZTMLSA-N 373.526 3.632 0 40 FHAB Cc1nc(-c2cccc(NC(=O)COC(=O)c3ccccc3)c2)cs1 18770710 GMTUDGSHPAHKDM-UHFFFAOYSA-N 352.415 3.914 0 40 FHAB COc1ccc(C2(O)C[C@@H]3CC[C@H](C2)N3CC(C)(C)CN2CCCC2)cc1 19084901 DJTYLKLGKCPIDX-DETIRCLXSA-N 372.553 3.632 0 40 FHAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)C[C@H](C)n2cccn2)n1 19240147 ZLSQLKTVPGAXED-DZGCQCFKSA-N 360.508 3.761 0 40 FHAB Cc1nc([C@H](Cc2ccsc2)NC(=O)CCn2ccnc2)sc1C 19559764 BVJFSVBMRDNCSW-HNNXBMFYSA-N 360.508 3.508 0 40 FHAB CC(=O)N1CCCCCCCN(C(=O)[C@@H](N)CC(C)C)Cc2ccccc21 643587357 BAPWBMUHXMLGNS-FQEVSTJZSA-N 373.541 3.706 0 40 FHAB O=C(Nc1ccccc1C(=O)NCc1cn2ccccc2n1)c1ccccc1 7047595 MOAPFSPATRBGKV-UHFFFAOYSA-N 370.412 3.517 0 40 FHAB O=C([C@@H]1CCCCO1)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1889787109 IXATXTFNBLADOK-KRWDZBQOSA-N 359.857 3.558 0 40 FHAB Cc1ccc2nc(CNCCc3ccc(Cl)cc3Cl)cc(=O)n2c1 25638155 MCZYOYWUSWQQRJ-UHFFFAOYSA-N 362.260 3.642 0 40 FHAB Cc1ccc(C)c(NC(=O)CSc2ccc(-c3cccnc3)nn2)c1 4391899 AGOJSECOFUKATD-UHFFFAOYSA-N 350.447 3.886 0 40 FHAB O=C(Nc1nnc(-c2cccs2)o1)c1ccc(Br)s1 4330350 SBCIHHICRHLREI-UHFFFAOYSA-N 356.226 3.874 0 40 FHAB COc1ccc(-n2ccnc(SCc3cccc(F)c3)c2=O)cc1OC 9761367 HULHTVMAPMSCPE-UHFFFAOYSA-N 372.421 3.681 0 40 FHAB Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)c1 13696497 HVXBIOCNJOCLRH-UHFFFAOYSA-N 372.490 3.731 0 40 FHAB O=C(c1ccccn1)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 1890127087 IJADWZZGXZYIHA-UHFFFAOYSA-N 358.445 3.922 0 40 FHAB CCOc1ccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)cc1OCC 35594954 JPXSYVZGVNGWIO-HXUWFJFHSA-N 355.434 3.698 0 40 FHAB O=C(c1cnn(-c2ccccc2)n1)N1CCS[C@@H](c2cccs2)CC1 219459945 WXTYNMVCJCCNDG-QGZVFWFLSA-N 370.503 3.649 0 40 FHAB COc1ccccc1[C@H](O)CNC(=O)Nc1ccc(C(F)(F)F)cc1 40097815 SMNMKMHKZPNFOY-CQSZACIVSA-N 354.328 3.569 0 40 FHAB O=S(=O)(Nc1ccc(Sc2nncs2)cc1)c1ccc(F)cc1 40150863 KUJZNSVVBVTKFH-UHFFFAOYSA-N 367.452 3.629 0 40 FHAB CCc1ccccc1NC(=O)CNC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 40140960 PVVROGZIIPVQAX-UHFFFAOYSA-N 370.497 3.692 0 40 FHAB CSc1nccn1-c1cccc(C(=O)N2CCC[C@@H]2c2ccncc2)c1 40135770 SIMVGPAMBMFKFL-GOSISDBHSA-N 364.474 3.967 0 40 FHAB O=C(NCCc1c[nH]c2cc(F)ccc12)c1cnc(-c2ccccc2)nc1 50765361 IUMBCMMKCSFDEP-UHFFFAOYSA-N 360.392 3.737 0 40 FHAB CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2nccc3ccccc23)C1 60322187 XPLLOOSTTDLQCC-OAHLLOKOSA-N 369.465 3.612 0 40 FHAB O=c1c(Cl)c(Cl)c(Cl)nn1-c1ccc(Br)cc1 1020148 JRVJOLJSKBZTIL-UHFFFAOYSA-N 354.418 3.955 0 40 FHAB CCCC(=O)N(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C1CCCC1 1358877 MJEUODPVYJKXTP-UHFFFAOYSA-N 373.522 3.935 0 40 FHAB Cc1nc(-c2c[nH]c(C(=O)N(C)CCOc3ccccc3C)c2)cs1 32788670 JIWTWXFUKJAWFI-UHFFFAOYSA-N 355.463 3.906 0 40 FHAB CCOC(=O)[C@@H]1CCCN(C(=O)c2sc(-c3cccs3)nc2C)C1 32841550 LIXQBEUFLXFZHE-GFCCVEGCSA-N 364.492 3.595 0 40 FHAB CC(C)[C@H](C)N(Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)C1CC1 32825574 FONFLORNZCMELR-LBPRGKRZSA-N 362.474 3.938 0 40 FHAB CCOC(=O)CNc1c(-c2ccc(N(C)C)cc2)nc2ccc(Cl)cn12 4161128 ZJKNUNNXSORIDE-UHFFFAOYSA-N 372.856 3.696 0 40 FHAB CCN(CC)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C(C)C 4948619 AXTGJATVRULFGE-UHFFFAOYSA-N 367.902 3.591 0 40 FHAB CC[C@H](NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)C12CC3CC(CC(C3)C1)C2 102439736 ZIKIKSLUCHHXPD-FHAURNNRSA-N 357.494 3.621 0 40 FHAB O=C1O[C@@H](C(=O)Nc2ccccc2C(=O)c2ccccc2)Cc2ccccc21 2708411 LAZITOAXOIYGNX-HXUWFJFHSA-N 371.392 3.638 0 40 FHAB Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)cc1 32910620 HSQKEOJSRHYZKY-NUJGCVRESA-N 359.466 3.585 0 40 FHAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)OCc1cccc(F)c1 8137012 NMHKIGRLASOMMT-UHFFFAOYSA-N 356.180 3.606 0 40 FHAB O=C(O)C1CCN(C(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)CC1 97017385 NUOOXESXSVPSEK-CABCVRRESA-N 370.474 3.669 0 40 FHAB O=C(COc1ccccc1Cl)NC(=S)Nc1ccccc1Cl 675542 LONGRUQXZDSWOS-UHFFFAOYSA-N 355.246 3.885 0 40 FHAB Fc1ccc(-c2nnc3sc(Cc4noc5ccccc45)nn23)cc1 633093 LHKRVKSRZRJOHI-UHFFFAOYSA-N 351.366 3.724 0 40 FHAB COc1ccc([C@@H](CNC(=O)[C@]2(C)CC2(Cl)Cl)N2CCCC2)cc1 22620325 RIQJABGNJDSESL-WBVHZDCISA-N 371.308 3.532 0 40 FHAB O=C(c1ccc2c3c(cccc13)CC2)N1CCN(Cc2cccs2)CC1 22692055 FLALGAKTWZDVRB-UHFFFAOYSA-N 362.498 3.958 0 40 FHAB Cc1cc(C)c(C(=O)CCCC(=O)Nc2ccc(CC(N)=O)cc2)c(C)c1 54001139 LYCRABNPCVEVIF-UHFFFAOYSA-N 366.461 3.631 0 40 FHAB Cc1c(Cl)cccc1NC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100628944 OOBUIHNECFZFCS-KBPBESRZSA-N 373.909 3.626 0 40 FHAB COc1cc(/C=C2/SC(=O)NC2=O)ccc1OCc1ccccc1F 59418010 DPIPIKOQNOMUDL-CXUHLZMHSA-N 359.378 3.737 0 40 FHAB O=C(Nn1cnc2ccccc21)c1ccc(Br)cc1Cl 59363360 BSLPAJOUNBRVJF-UHFFFAOYSA-N 350.603 3.836 0 40 FHAB O=C(c1ccc(-c2cnco2)cc1)N1CCN(c2cccc(Cl)c2)CC1 47609118 ZRWCIARTRVLSBH-UHFFFAOYSA-N 367.836 3.957 0 40 FHAB Cc1cc(OCC(=O)Nc2ccc(Br)cn2)ccc1Cl 1000943 FQENQYPPWMYNSA-UHFFFAOYSA-N 355.619 3.823 0 40 FHAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N(C)Cc1ccc(Br)cc1 23718186 LKAAQJNZSNHGEX-GFCCVEGCSA-N 372.266 3.879 0 40 FHAB CN(CCOc1cccc(Cl)c1)C(=O)c1cccc(N2CCCC2=O)c1 24188947 NRGVCEONMRCLDQ-UHFFFAOYSA-N 372.852 3.618 0 40 FHAB Cc1[nH]c2nc(SCc3ccccc3)nn2c(=N)c1-c1ccc(F)cc1 105889130 BQOPBBOPJBOXEF-UHFFFAOYSA-N 365.437 3.944 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)NCc1cccc(NC(=O)C2CC2)c1 24929250 XSSFOZVYFNDDID-MRXNPFEDSA-N 365.477 3.856 0 40 FHAB CCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 103717841 LNJMDJPEGMVYEN-HNNXBMFYSA-N 370.424 3.996 0 40 FHAB CCC1=C(c2ccc(Cl)cc2)Nc2nnnn2[C@@H]1c1c(C)nn(C)c1C 102949853 CRYHVMDAOZTFCX-KRWDZBQOSA-N 369.860 3.513 0 40 FHAB C[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccccc1F 25688812 XHKSJLZYNKTFRH-CYBMUJFWSA-N 360.454 3.617 0 40 FHAB CCOC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 3269018 DHIQUJMOOQRBPN-UHFFFAOYSA-N 352.386 3.634 0 40 FHAB CC(C)c1ccc([C@@H](O)CN2C(=O)[C@H](C)N(c3ccc(F)cc3)C2=O)cc1 44263986 ANOZYAJJYPVCHL-LIRRHRJNSA-N 370.424 3.840 0 40 FHAB C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1nc(-c2ccc(F)cc2)no1 58177726 IGTORIGQPRWYQB-LBPRGKRZSA-N 364.380 3.777 0 40 FHAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(S(C)(=O)=O)c1 58111597 JVEHXGRHGPIERC-VQTJNVASSA-N 371.502 3.889 0 40 FHAB Cc1c(NC(=O)CCSc2ccccc2)c(=O)n(-c2ccccc2)n1C 20239026 SXJKRHYLQIYOBT-UHFFFAOYSA-N 367.474 3.605 0 40 FHAB O=C(N[C@H]1CCSc2c(F)cccc21)c1c[nH]c2ccccc2c1=O 28045651 IJPOISVRJXGKLM-INIZCTEOSA-N 354.406 3.634 0 40 FHAB CCOc1ccc([C@H]2CCCN2S(=O)(=O)c2cc(F)cc(F)c2)cc1 10516668 KMTYUMFZKFJQFU-GOSISDBHSA-N 367.417 3.889 0 40 FHAB CCc1cccc(C)c1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 20452427 MBARHAGIIFASIT-UHFFFAOYSA-N 366.870 3.835 0 40 FHAB O=C(Cc1cccc2ccccc12)N1CCC[C@H](c2nnc3ccccn23)C1 12793825 DUPAMMWJXOBKPV-IBGZPJMESA-N 370.456 3.831 0 40 FHAB C[C@@H]1CCC[C@H](NC(=O)CN(C)CCOc2ccc(Cl)cc2)[C@@H]1C 12767370 QKYBOZNEHLMKFW-RKVPGOIHSA-N 352.906 3.592 0 40 FHAB C[C@]12CC[C@@H](O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 118933660 UVVGWNHIKZRQLP-IWXGMBDMSA-N 372.505 3.524 0 40 FHAB CCC[C@@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccccc1 12780190 FBUPRFQARFFNHE-LJQANCHMSA-N 364.445 3.607 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 48363712 VGLGFVFGGACHOP-UHFFFAOYSA-N 350.374 3.805 0 40 FHAB COc1ccc(-c2nnc3c4cnn(-c5ccc(C)c(C)c5)c4ncn23)cc1 2421324 WBQXRWCCIAPNKE-UHFFFAOYSA-N 370.416 3.756 0 40 FHAB O=c1oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2s1 2497162 XYFXTSDJGQKQEC-UHFFFAOYSA-N 357.412 3.809 0 40 FHAB COC(=O)C[C@H](NC(=O)CCc1nc2ccccc2s1)c1ccccc1 8881853 YWICQJBHGAJEPT-INIZCTEOSA-N 368.458 3.650 0 40 FHAB O=S(=O)(NCc1ccccc1Cl)c1cccc(Br)c1 5120605 JNAQLCQWOCPGNC-UHFFFAOYSA-N 360.660 3.581 0 40 FHAB COc1cccc(/C=C/C(=O)Nc2ccccc2C(=O)N2CCCC2)c1 8983047 HMLSLXXGKCOWKT-VAWYXSNFSA-N 350.418 3.583 0 40 FHAB Cc1c(NC(=O)c2cc3c(F)cccc3s2)cccc1-n1cnnn1 13984593 KTWMNIMLTUEJLI-UHFFFAOYSA-N 353.382 3.577 0 40 FHAB O=C(CNc1ncnc2scc(-c3ccc(F)cc3)c12)N1CCCC1 14135351 SGVFJVUVGZOVJN-UHFFFAOYSA-N 356.426 3.532 0 40 FHAB COc1ccc(Cl)cc1CN(C)C[C@@H](O)COc1cc(C)ccc1C 14200930 FMTSCQLKKKHAPZ-GOSISDBHSA-N 363.885 3.837 0 40 FHAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1nc(C)no1)CC2 14245088 OFGOTWAPPGKDKZ-IBGZPJMESA-N 371.462 3.604 0 40 FHAB C[C@@H](NC(=O)COC(=O)c1cc2ccccc2[nH]1)c1ccccc1Cl 5532683 YLLRVZQCBNBPRA-GFCCVEGCSA-N 356.809 3.856 0 40 FHAB C[C@H](OC(=O)c1cnc(Cl)c(Cl)c1)C(=O)NCCC1=CCCCC1 6643183 LVOUFCYXJNEBCX-NSHDSACASA-N 371.264 3.940 0 40 FHAB O=Cc1cc(Br)ccc1N1CCN(Cc2ccccc2)CC1 14628800 ZRRIDJONZOWMPH-UHFFFAOYSA-N 359.267 3.584 0 40 FHAB O=C(CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12)N1CCCCC1 4735499 QPOHRYVMTFKROT-JOCHJYFZSA-N 373.456 3.726 0 40 FHAB CCc1ccccc1NC(=O)CCC(=O)O[C@H](C)C(=O)c1ccccc1 5878513 MSTDLDODQQUVDL-OAHLLOKOSA-N 353.418 3.782 0 40 FHAB CSc1ncccc1C(=O)OCc1nc(-c2cccc(Cl)c2)no1 6989809 CNURZEYDVRLZKW-UHFFFAOYSA-N 361.810 3.864 0 40 FHAB C[C@@H](NC(=O)COc1ccccc1C(N)=O)c1ccc(-c2ccccc2)cc1 9248088 GLDOYYXBCOCGMT-MRXNPFEDSA-N 374.440 3.709 0 40 FHAB CCc1ccc2c(COC(=O)Cc3ccccc3OC)cc(=O)oc2c1 7035036 YGPZKMUWQDTXIB-UHFFFAOYSA-N 352.386 3.650 0 40 FHAB Cc1ccccc1C(=O)NCCC(=O)N[C@@H](C)c1cc2ccccc2o1 7116493 WABHLSCOTLPVHU-HNNXBMFYSA-N 350.418 3.739 0 40 FHAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cnn(-c2ccccc2)n1 15765635 ZEUXRZRIPHSYBO-UHFFFAOYSA-N 360.339 3.558 0 40 FHAB Cc1nc(SCC(=O)N(Cc2ccccc2F)C2CC2)nc(C)c1C 7696147 PZNLWLZTDSKRBX-UHFFFAOYSA-N 359.470 3.824 0 40 FHAB Cc1nc2cc(NC(=O)COc3cccc4c3OC(C)(C)C4)ccc2o1 8133755 CJUVGEYQFHGFAS-UHFFFAOYSA-N 352.390 3.867 0 40 FHAB Cc1sc2ncn(Cc3cc(Cl)cc4c3OCOC4)c(=O)c2c1C 8241951 QFMUTDGFRJQMOC-UHFFFAOYSA-N 362.838 3.643 0 40 FHAB COc1ccc2nc(NC(=O)CCc3cc(C(C)=O)c(C)o3)sc2c1 9496129 QGJASIOWNBVJPL-UHFFFAOYSA-N 358.419 3.980 0 40 FHAB COc1cc(C(=O)Nc2ccccc2OC(F)(F)F)cc(OC)c1OC 9447936 JNTFHTRGWWVDMD-UHFFFAOYSA-N 371.311 3.863 0 40 FHAB CC(=O)N[C@@H](CC(=O)NCC12CC3CC(CC(C3)C1)C2)c1ccccc1 9613657 DDVXKKVXUTVQND-BUMILGAPSA-N 354.494 3.587 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC(Nc3ccc(F)cc3)CC2)c1C 95373547 ZRSAEQRSTYIZJL-UHFFFAOYSA-N 357.429 3.690 0 40 FHAB CCOc1ccc2nc(NC(=O)CN3CCc4ccccc4C3)sc2c1 95351685 PKMCUFGPNOBLCU-UHFFFAOYSA-N 367.474 3.692 0 40 FHAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)NC1CCCCCC1 95949309 LFDMRGGZPDUFBH-UHFFFAOYSA-N 374.510 3.977 0 40 FHAB CCc1cc(N2Cc3ccccc3N(C)C[C@@H]2C)nc(-c2ccccn2)n1 75109647 VYHQZSLLYJTCMB-INIZCTEOSA-N 359.477 3.946 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)NCc1ccccc1)c1ccc(Cl)cc1 25218456 AIMAPJXUZOFBOB-KRWDZBQOSA-N 354.841 3.662 0 40 FHAB C[C@@H](NC(=O)c1cncc(C(F)(F)F)c1)c1noc(-c2ccccc2)n1 520279856 AQTOTFHGBCGAIO-SNVBAGLBSA-N 362.311 3.641 0 40 FHAB COc1ccc(-c2csc3ncnc(NCCCc4nc[nH]n4)c23)cc1 550337805 NKMJKSSVPXBELA-UHFFFAOYSA-N 366.450 3.530 0 40 FHAB COCCn1ccc2c(NC(=O)CCc3ccc(OC)cc3)cccc21 72401968 INWQYHAZRJTYNJ-UHFFFAOYSA-N 352.434 3.868 0 40 FHAB COc1ccc(OC)c(/C=C/C(=O)NCCCCOc2ccc(F)cc2)c1 32836119 LASMEAVYVSKOKG-LFYBBSHMSA-N 373.424 3.832 0 40 FHAB CC(C)(C)c1ccc(OS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 44268606 ZPKVUCLGKXYRNP-UHFFFAOYSA-N 358.415 3.858 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cnc(N2CCCC2)nc1 75161768 ZHWFUMSCKRUGAO-UHFFFAOYSA-N 360.845 3.526 0 40 FHAB C[C@H]1C[C@H](C)CN(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 224990489 AYCYBCUALMGSGP-GJZGRUSLSA-N 352.906 3.592 0 40 FHAB CC[C@H](NC(=S)Nc1cccc(C)c1)c1ccc(S(C)(=O)=O)cc1 225721916 UHFDQBIUEMYIRN-KRWDZBQOSA-N 362.520 3.836 0 40 FHAB CCOCCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 225561963 DZBDZBWRJOMQHG-UHFFFAOYSA-N 369.461 3.789 0 40 FHAB COc1ccccc1OC[C@H](C)NC(=O)Cc1ccc(Cl)cc1F 224802966 MGRPBXYOJFMBRY-LBPRGKRZSA-N 351.805 3.614 0 40 FHAB CC(C)(C)N(C(=O)O)c1ncc(Br)cc1Br 228914758 DQFUFFIYAKDXDS-UHFFFAOYSA-N 352.026 3.890 0 40 FHAB COc1ccc(NC(=S)NCCOc2ccc(C)cc2)c2cccnc12 225563830 BYKWUHYKMKXKOR-UHFFFAOYSA-N 367.474 3.917 0 40 FHAB CCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cc1C(=O)OC 225831328 QEWQHWYHKPITFK-XOBRGWDASA-N 363.454 3.796 0 40 FHAB O=C(N[C@@H]1CCCc2c1[nH]c1ccc(F)cc21)c1ccc2c(c1)OCO2 96116685 DZWKHKDVBVFEQR-MRXNPFEDSA-N 352.365 3.843 0 40 FHAB C[C@@H](CCNC(=O)N1CC(C(C)(C)O)C1)c1cccc(C(F)(F)F)c1 331502809 ZHEMGKXAGGNSBI-LBPRGKRZSA-N 358.404 3.611 0 40 FHAB Cc1cccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 243789503 QJZJDNXLFIEQIZ-INIZCTEOSA-N 356.853 3.626 0 40 FHAB O=C(c1cccnn1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257263324 LPHZHQBBXCILIF-GOSISDBHSA-N 366.396 3.562 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)NCC(O)(c1cccs1)c1cccs1 90617038 JSZDBDJYXJXFIY-AWEZNQCLSA-N 373.499 3.629 0 40 FHAB COC(=O)[C@@H](NC(=O)c1nn(CC2CCCCC2)c2ccccc12)C(C)C 299817105 CRGGXDSTBHQLKJ-SFHVURJKSA-N 371.481 3.544 0 40 FHAB in-vitro c1coc(CN2CCC3(CC2)OCC[C@@H]3CCOCc2ccncc2)c1 585105546 ZJXQDHFDFMUALZ-IBGZPJMESA-N 356.466 3.653 0 40 FHAB Clc1ccc2ncc(-c3cccc(C[C@@H]4CC[C@H]5CNC[C@@H]45)n3)n2c1 585262936 QAPKNTUMKCRVKB-ZQIUZPCESA-N 352.869 3.838 0 40 FHAB O=C1CC2(CCCCC2)C(=O)N1C[C@@H](O)c1cc(Cl)ccc1Cl 51261744 AVWUCJBUMASZNL-CQSZACIVSA-N 356.249 3.736 0 40 FHAB OCCCc1nc2ccccc2n1C[C@@H](O)c1ccccc1C(F)(F)F 58160921 HHDOTQJHDAWDFD-QGZVFWFLSA-N 364.367 3.714 0 40 FHAB Cc1ccc(-c2csc(NC(=O)c3csc(-c4nc[nH]n4)n3)n2)cc1 58222884 ACTZBMGFEHSFSG-UHFFFAOYSA-N 368.447 3.612 0 40 FHAB O=c1c2c(ccn1Cc1cc(F)ccc1F)ccn2Cc1cccnc1 65224714 JYMHKHPGEKRRHE-UHFFFAOYSA-N 351.356 3.573 0 40 FHAB Cc1ccc(N2CCC[C@@H](C(=O)Nc3ccccc3C(F)(F)F)C2)nn1 585234256 BMFBIFDGQJXYAM-CYBMUJFWSA-N 364.371 3.659 0 40 FHAB Cc1ccsc1CN1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615154551 HWXNRJGHEXENMN-FQEVSTJZSA-N 374.481 3.594 0 40 FHAB CCc1nnc(NC(=O)COc2ccc(Nc3ccccc3)cc2)s1 5200107 FOTASRBZPSFEPG-UHFFFAOYSA-N 354.435 3.862 0 40 FHAB O=C(C1CCCCC1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1 5626476 UZIWSYKURAQHDP-UHFFFAOYSA-N 353.466 3.775 0 40 FHAB CCOC(=O)c1c(NC(=O)/C(C)=C\C(=O)O)sc(C)c1-c1ccccc1 11566360 HMAIJGGOHCOZKE-KHPPLWFESA-N 373.430 3.870 0 40 FHAB CC(C)n1cc2c(c1-c1ccc(Cl)cc1Cl)c(=O)n(C)c(=O)n2C 13653831 VLRYOLSZNGJUCI-UHFFFAOYSA-N 366.248 3.593 0 40 FHAB CSc1ccc(S(=O)(=O)NCc2cccc(OC(C)C)c2)cc1 13670564 PNPSMSLZNUOGMO-UHFFFAOYSA-N 351.493 3.674 0 40 FHAB COc1ccc(Nc2nc(C)nc3c2CN(C(=O)OC(C)(C)C)CC3)cc1 19286286 ZEKLAALDPHKJDI-UHFFFAOYSA-N 370.453 3.830 0 40 FHAB COc1ccc2nc(C)c(C(=O)NC[C@H](C)n3nc(C)c(C)c3C)cc2c1 19556309 NOYNWZQWPOSHQU-LBPRGKRZSA-N 366.465 3.665 0 40 FHAB CCCn1nc(C)c(-c2cncn2CCn2nc(C)c(Cl)c2C)c1C 19654630 FSAKQEAXXPKYIF-UHFFFAOYSA-N 360.893 3.940 0 40 FHAB CNC1CCC2(CC1)CN(C(=O)C[C@H]1C=CCC1)Cc1ccccc1O2 19591996 XFVZBLIGSXGZNV-QXAHSBQVSA-N 354.494 3.665 0 40 FHAB c1nc(C2CCC2)cc(N2CCC(COc3ccc(C4CC4)nn3)CC2)n1 1775995925 NLRSKLYOUJYGAR-UHFFFAOYSA-N 365.481 3.707 0 40 FHAB Cc1ccc(OCC2CCN(C(=O)Nc3ccccc3Cl)CC2)nn1 1775996296 RGHWMUHXTXCOCD-UHFFFAOYSA-N 360.845 3.761 0 40 FHAB COc1ccc(OC)c(-n2c(S)nnc2-c2ccc3ccccc3n2)c1 3620610 JIMNMHSEHPULFB-UHFFFAOYSA-N 364.430 3.788 0 40 FHAB Cc1ccccc1OCC(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 5099295 HIIOAEQMSGKGEV-UHFFFAOYSA-N 364.445 3.702 0 40 FHAB COc1ccc(C)cc1NC(=O)c1cccn(Cc2cccc(F)c2)c1=O 5268849 ALZIJSRMYQMWHQ-UHFFFAOYSA-N 366.392 3.605 0 40 FHAB CCCOc1ccc([C@@H](O)[C@@H](CN2CCOCC2)c2ccccc2)cc1 20790166 TVWLDXUMIAMJBJ-FCHUYYIVSA-N 355.478 3.625 0 40 FHAB O=C(CCCC(=O)c1ccccc1)NC[C@@H]1CCCN1c1ccccc1 207988902 ICHMYINZRGPXOF-FQEVSTJZSA-N 350.462 3.825 0 40 FHAB O=C1OC2(CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)c2ccccc21 211108472 JSCSFHIIIBJSEO-UHFFFAOYSA-N 374.396 3.644 0 40 FHAB COc1ccc2nc(C)c(C(=O)NC[C@@H](C)N(C)c3ccccc3)cc2c1 40108895 PCGIHKYFEMAVOD-OAHLLOKOSA-N 363.461 3.807 0 40 FHAB COc1cccc(N2CCN([C@@H](C)c3nnc(-c4ccccc4)o3)CC2)c1 30963841 PJAGNKDAKJWYPM-INIZCTEOSA-N 364.449 3.628 0 40 FHAB c1ccc(-n2nnnc2CSCc2csc(-c3ccco3)n2)cc1 31421239 RZDJSYMEYNBCFL-UHFFFAOYSA-N 355.448 3.812 0 40 FHAB Cc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1C 20899424 SHOYAHLBYWTUTF-ZDUSSCGKSA-N 355.369 3.899 0 40 FHAB O=C(O[C@@H]1CN2CCC1CC2)N1CCc2ccccc2[C@H]1c1ccccc1 602034 FBOUYBDGKBSUES-FGZHOGPDSA-N 362.473 3.865 0 40 FHAB biogenic,in-vitro CCOc1ccc([C@@]2(O)C[N+]3=C(CCCCC3)N2c2ccccc2)cc1 627252 YYPWDRNTNHDQPY-QFIPXVFZSA-N 351.470 3.736 0 40 FHAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccccc1C(N)=O 1265967 BAVBHMJPQHIWEV-VOTSOKGWSA-N 365.216 3.753 0 40 FHAB CCCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccco1 1364340 KGXKSHCMQIBZSC-UHFFFAOYSA-N 356.451 3.987 0 40 FHAB COc1cc([C@@H]2C(C)=COc3cc4c(cc32)OCO4)cc(OC)c1OC 1591345 USQSDVFXUZLZIR-IBGZPJMESA-N 356.374 3.869 0 40 FHAB CC(=O)[C@@H](C)Oc1cc2c(c3oc(=O)c4c(c13)CCC4)CCC(C)(C)O2 2113897 WEOIPBCCZIZMGJ-GFCCVEGCSA-N 356.418 3.742 0 40 FHAB biogenic COCCNc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3 2431254 GAZLYNAXCLUMAG-UHFFFAOYSA-N 369.490 3.774 0 40 FHAB Cc1ccc2oc(-c3ccc4c(c3)OCO4)c/c(=N\[C@H](C)C(=O)O)c2c1 3372798 ZDGKGHXJNNYCJO-GHTHLWOPSA-N 351.358 3.511 0 40 FHAB CCCCn1c(SCC(=O)NC2CCCCC2)nc2ccccc2c1=O 3477534 YACIZVKSNOXPOA-UHFFFAOYSA-N 373.522 3.738 0 40 FHAB CC(C)n1nc(C(=O)Nc2nc3ccccc3s2)c2ccccc2c1=O 3559698 NSDUOHKWSWKSPM-UHFFFAOYSA-N 364.430 3.839 0 40 FHAB O=C(NC[C@@H]1CCC[C@@H](CNC(=O)c2cccs2)C1)c1cccs1 4118701 XJNYOLRKBKVAQA-ZIAGYGMSSA-N 362.520 3.776 0 40 FHAB COc1ccccc1-c1nnc(NC(=O)c2ccc(Br)cc2)o1 4275995 SIRRHYMTFVPCTG-UHFFFAOYSA-N 374.194 3.760 0 40 FHAB CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 4616763 LYIHEGQUMJOGRH-IBGZPJMESA-N 364.445 3.891 0 40 FHAB O=C(CCCSc1nc2[nH]c(=O)cc(O)c2s1)c1ccc(F)cc1 4945718 PHVDFFWIKNKPSW-UHFFFAOYSA-N 364.423 3.585 0 40 FHAB Cc1csc(NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)n1 5269939 LXNSLYGHVAIVCJ-UHFFFAOYSA-N 359.838 3.567 0 40 FHAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)N[C@@H](C)c1ccccc1 5539144 NAPWUWAKODMNFX-AWEZNQCLSA-N 364.401 3.684 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)CCC1CCCC1 5617315 XLWSDIHGPOJXQM-UHFFFAOYSA-N 369.465 3.941 0 40 FHAB C[C@H]1CCCCN1C(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 5779664 YUZGCLUEGNHVIC-HNNXBMFYSA-N 355.409 3.837 0 40 FHAB CCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 6361897 VJDHMTMICNQVMB-UHFFFAOYSA-N 366.870 3.671 0 40 FHAB CCCn1c(SCC(=O)Nc2cccnc2)nnc1-c1csc(C)c1 6391620 OGUBLHYFSJYEJV-UHFFFAOYSA-N 373.507 3.851 0 40 FHAB O=C(COc1ccc(Cl)c2cccnc12)c1ccc2c(c1)OCCO2 6633522 SUUWFGWILXKSEK-UHFFFAOYSA-N 355.777 3.921 0 40 FHAB Cc1nnc2sc(-c3ccc(NC(=O)c4cccc(F)c4)cc3)nn12 6720852 NZPYDWBWSLQKFF-UHFFFAOYSA-N 353.382 3.553 0 40 FHAB O=C(COC(=O)/C=C/c1nc2ccccc2s1)NC1CCCCCC1 6945863 ANBZYPBJRAEHRS-VAWYXSNFSA-N 358.463 3.692 0 40 FHAB CCN(CC)C(=O)[C@@H](Sc1nncn1-c1ccccc1)c1ccccc1 6974924 SYPSMQAIJORSMD-SFHVURJKSA-N 366.490 3.969 0 40 FHAB Cc1cc(OC[C@@H](O)CNCCCOC(C)C)c(C(C)C)cc1Cl 7015590 UWBAEOAKJWLPSV-INIZCTEOSA-N 357.922 3.916 0 40 FHAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1OC 7113257 GGLIRYUYDFNAHV-MRXNPFEDSA-N 366.339 3.833 0 40 FHAB O=C(Cn1ncc(=O)c2ccccc21)N(c1ccccc1)C1CCCCC1 7245537 CWCHTYFUMNBRBD-UHFFFAOYSA-N 361.445 3.762 0 40 FHAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)c1C 7325521 IMILNNKFHZRRBQ-UHFFFAOYSA-N 372.490 3.613 0 40 FHAB Nc1nnc(SCC(=O)Nc2ccc3oc4ccccc4c3c2)s1 7414804 BZTBKRIVFSVAQY-UHFFFAOYSA-N 356.432 3.751 0 40 FHAB Cc1cc(C)cc(OCC(=O)NCc2ccc(CN3CCCCC3)cc2)c1 7447870 UEWFOXUIGQVJCA-UHFFFAOYSA-N 366.505 3.985 0 40 FHAB CCOc1ccc(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 7882078 VTNDVRGKEMGRFI-WBVHZDCISA-N 352.434 3.634 0 40 FHAB CC(=O)c1cccc(NC(=O)CNc2ccccc2N2CCCCC2)c1 7973111 JKRWJQQNPLVGEB-UHFFFAOYSA-N 351.450 3.930 0 40 FHAB COc1cc2ccccc2cc1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 8014214 KOIUMFPJLDSPDW-GFCCVEGCSA-N 362.385 3.820 0 40 FHAB CCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(OC)c(OCC)c2)c1 8097673 IJSSCTUBHCKYGQ-ZRDIBKRKSA-N 369.417 3.923 0 40 FHAB C[C@@H]1CCc2nc(NC(=O)c3cc(Cl)c4c(c3)OCO4)sc2C1 8231703 IOKNWNQLSVAZDE-MRVPVSSYSA-N 350.827 3.902 0 40 FHAB CCOc1ccccc1/C=C/C(=O)N(C)CC(=O)Nc1cccc(C)c1C 8413707 QOJWQJOUXYOZBL-BUHFOSPRSA-N 366.461 3.812 0 40 FHAB O=C(CCN1C(=O)CSc2ccccc21)Nc1cccc2cccnc12 8770047 GDECXGVBCDHZSJ-UHFFFAOYSA-N 363.442 3.702 0 40 FHAB O=C([C@H](Nc1ccc(N2CCCC2=O)cc1)c1ccccc1)N1CCCC1 9218531 FSPDREDTSMDHAF-OAQYLSRUSA-N 363.461 3.589 0 40 FHAB Cc1ccc(NC(=O)[C@H](Nc2cccc(C(N)=O)c2)c2ccccc2)cc1 9608069 ZOMYDTDYHCZPLT-HXUWFJFHSA-N 359.429 3.886 0 40 FHAB Cc1ccc(NC(=O)CSc2nc(N)c3ccsc3n2)c(Cl)c1 9647684 RYPIJXBCMMSZEN-UHFFFAOYSA-N 364.883 3.966 0 40 FHAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c(C)c1 10446188 QWSFELLEZJGVFY-YRNVUSSQSA-N 369.417 3.841 0 40 FHAB CCCn1c(NC(=O)c2ccc3c(c2)NC(=O)CS3)nc2ccccc21 10652609 OPCRBTLFNTZQIN-UHFFFAOYSA-N 366.446 3.743 0 40 FHAB COc1cc(NC(=O)[C@H]2C[C@H]2C)c(OC)cc1NC(=O)c1ccccc1 11651808 QCDNDIVORCSDKH-OCCSQVGLSA-N 354.406 3.551 0 40 FHAB Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)on1 12118439 SBXHAEDPLWNDJP-HZPDHXFCSA-N 352.438 3.502 0 40 FHAB COc1ccc(-c2nc(NCCc3ccncc3)ncc2-c2ncc[nH]2)cc1 12221398 NWIXZGHGTPYTED-UHFFFAOYSA-N 372.432 3.592 0 40 FHAB O=C(O)CCCNC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 12407218 ACHRLTRXDMRWNN-UHFFFAOYSA-N 373.261 3.640 0 40 FHAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(Cl)cc1F 12533913 WBHVKRIXFLYZJS-UHFFFAOYSA-N 362.832 3.588 0 40 FHAB O=C(OCc1cc(Cl)c2c(c1)OCO2)c1ccc(N2CCCC2=O)cc1 12723367 ROEPYFZLYUPYJW-UHFFFAOYSA-N 373.792 3.553 0 40 FHAB COc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1F 12768857 VRCBMHYDEOZZKA-KRWDZBQOSA-N 371.408 3.973 0 40 FHAB COc1ccc(CCCN(C)C(=O)Cc2c[nH]c3ccccc23)cc1OC 12849433 NTRDJDGWKZBRLT-UHFFFAOYSA-N 366.461 3.819 0 40 FHAB COc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1Br 12849438 XRUFJAHXALMUMR-UHFFFAOYSA-N 353.241 3.655 0 40 FHAB COC(=O)c1ccc(CN2CCC[C@H]2c2ccc(OC)cc2OC)cc1 13003986 YWZMSBJISUUFLK-IBGZPJMESA-N 355.434 3.828 0 40 FHAB O=C(COc1ccc(Cl)cc1Br)NC(=O)C1CCCCC1 14160535 SQJRYLMKKQMYTN-UHFFFAOYSA-N 374.662 3.704 0 40 FHAB CC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccc(Br)cc2)c1 14391583 IMWIAFJYDNBPNA-LLVKDONJSA-N 361.239 3.899 0 40 FHAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccs2)cc1Cl 15836300 XLTCEURQZIWHMC-ZDUSSCGKSA-N 357.884 3.936 0 40 FHAB C[C@H](Oc1cccc(F)c1)C(=O)N[C@H](c1ccncc1)c1cccs1 19079769 HFCCQQAEYLARSR-SCLBCKFNSA-N 356.422 3.955 0 40 FHAB CCC(=O)N1CCC[C@@](Cc2ccc(-c3cccs3)cc2)(C(=O)NC)C1 19498617 KARSRVMTJZCXMN-NRFANRHFSA-N 370.518 3.722 0 40 FHAB COc1ncccc1-c1cc(O)n2nc(-c3cccc(Cl)c3)cc2n1 19594648 VEWZCMRCWJVAJN-UHFFFAOYSA-N 352.781 3.826 0 40 FHAB C[C@@H](NC(=O)c1ccccc1CN1CCCC1)c1ccc2c(c1)OCCO2 19717722 RHTBSWDMYQTJSV-MRXNPFEDSA-N 366.461 3.545 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccccc1 20427329 YAUXHJHPABATNP-KSSFIOAISA-N 358.825 3.507 0 40 FHAB COc1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4)cs2)cc1OC 20673237 GZBAVTYBKKVMNB-UHFFFAOYSA-N 352.415 3.989 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O 20801009 LFWXNNBMEQUCBL-UHFFFAOYSA-N 358.825 3.744 0 40 FHAB COc1ccccc1CNC(=O)c1cccnc1NCCc1ccccc1 22073036 JLWQIZYGRGIZBV-UHFFFAOYSA-N 361.445 3.675 0 40 FHAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(C)cc1C)cn2C 22237152 LMSFETNOQLBTEA-UHFFFAOYSA-N 350.418 3.806 0 40 FHAB CCCc1ccc([C@]2(C)NC(=O)N(C[C@H]3CC3(Cl)Cl)C2=O)cc1 22473622 QIBLENWPAUYSGD-CJNGLKHVSA-N 355.265 3.600 0 40 FHAB CCN1CCCc2cc(CCNC(=O)COc3ccc(Cl)cc3)ccc21 22732579 DDWNAKZXIRQGCF-UHFFFAOYSA-N 372.896 3.850 0 40 FHAB COc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1F 24002208 LKFKXRULLSTYMC-INIZCTEOSA-N 357.381 3.583 0 40 FHAB Cc1noc(CSc2ccccc2C(=O)N2CCc3sccc3C2)n1 26709142 ZPOYAXUGALYCLC-UHFFFAOYSA-N 371.487 3.930 0 40 FHAB O=C(NC[C@@H]1CCCO1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 27612993 PSZCNHSKNSRYFD-INIZCTEOSA-N 371.308 3.501 0 40 FHAB Cn1cc(CNC(=O)c2ccc(COc3cccc4ccccc34)o2)cn1 28236170 OSMJHKJSGQXJAY-UHFFFAOYSA-N 361.401 3.675 0 40 FHAB CCn1nc(C)cc1NC(=O)c1ccc(COc2ccc(F)cc2F)o1 28246316 BQDXZBRUROZKPU-UHFFFAOYSA-N 361.348 3.914 0 40 FHAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)NCCCc1ccccc1 28277770 CUBDNMOOOBNOHX-UHFFFAOYSA-N 365.351 3.611 0 40 FHAB COc1ccc(-c2nnsc2C(=O)Nc2ccc(C(C)=O)cc2)cc1 36354809 BQJJSOAGKIBADD-UHFFFAOYSA-N 353.403 3.669 0 40 FHAB Cc1cc(C(=O)Nc2nccs2)c2c(C)nn(Cc3ccccc3)c2n1 36616524 CXNMQMGTIDZLDC-UHFFFAOYSA-N 363.446 3.805 0 40 FHAB Cc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(Br)cc2)cc1 38772003 MHNMSYCRRXLENQ-ZDUSSCGKSA-N 368.296 3.938 0 40 FHAB Cc1ccccc1NC(=O)Cc1nc(CSc2cccc[n+]2[O-])cs1 39588752 RLZLPWCPGCIPSH-UHFFFAOYSA-N 371.487 3.558 0 40 FHAB CCN(CC)C(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2cccc(Cl)c2)C1 40091875 HYLKMUQJGHNAFP-HOCLYGCPSA-N 365.905 3.691 0 40 FHAB COc1ccc(CN(C)C(=O)[C@@H](C)SCc2ccccc2)cc1OC 43848822 RVRUWZWZVYMDIQ-OAHLLOKOSA-N 359.491 3.984 0 40 FHAB O=C(Nc1c(F)cccc1F)[C@H]1CC(=O)N(c2ccccc2Cl)C1 45829465 OGPLJTPEIIUGIA-JTQLQIEISA-N 350.752 3.610 0 40 FHAB NC(=O)c1ccc(NC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1 47391106 SYQKNUJXQPGYIE-UHFFFAOYSA-N 368.824 3.510 0 40 FHAB COc1cc(OC)cc(C(=O)N(C)Cc2cc(Br)cs2)c1 48069467 JBHMNWRXCWCNSS-UHFFFAOYSA-N 370.268 3.800 0 40 FHAB Cc1cc(C(=O)N(Cc2ccccn2)C(C)C)c2cnn(C(C)C)c2n1 48263761 YIGAGGBCKFZSHR-UHFFFAOYSA-N 351.454 3.766 0 40 FHAB O=C(NCc1ccccc1Cn1cccn1)Nc1cccc2cnccc12 54020379 BYZOODMVKMWCIM-UHFFFAOYSA-N 357.417 3.801 0 40 FHAB Cc1cc(C(=O)OCC(=O)c2cc(C)n(C(C)C)c2C)c2c(C)noc2n1 54331416 OPKPUJMQGDJJLN-UHFFFAOYSA-N 369.421 3.879 0 40 FHAB Cc1noc([C@@H]2CCCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)C2)n1 54661591 SOJBSGAZYKJJNX-CYBMUJFWSA-N 363.845 3.595 0 40 FHAB O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)Nc1nnc(C2CC2)s1 58168740 YRSREJXWGXHYDW-CQSZACIVSA-N 360.439 3.617 0 40 FHAB O=C(NCCc1ccc(OC(F)F)cc1)N1CCC(n2cccc2)CC1 58217781 PPKRQUONERJOPX-UHFFFAOYSA-N 363.408 3.679 0 40 FHAB CCc1nc(CNCc2ccc(N3CCc4ccccc4C3)nc2)cs1 58343275 IROBYZAEHLZKNP-UHFFFAOYSA-N 364.518 3.953 0 40 FHAB CC(=O)Nc1cccc(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c1 58424154 PEIOAVHEIXRSJQ-UHFFFAOYSA-N 362.433 3.541 0 40 FHAB CCc1ccc(-c2[nH]ncc2C(=O)NCc2cc(OC)ccc2OC)cc1 72329161 WXINQABZTUMXQZ-UHFFFAOYSA-N 365.433 3.586 0 40 FHAB CCc1nc2cccnc2n1[C@H]1CCN(C(=O)c2cc3ccccc3[nH]2)C1 72366015 JKTRZPSDWSCJRS-HNNXBMFYSA-N 359.433 3.562 0 40 FHAB O=C(c1ccccn1)N1CCC[C@@H](c2n[nH]cc2-c2cccc(F)c2)C1 72380316 RLBIFGJNPUHBEO-OAHLLOKOSA-N 350.397 3.631 0 40 FHAB COc1ccc(-c2cc(C(=O)NCCc3c[nH]c4ccccc34)n(C)n2)cc1 72406355 NCHWEIDONTUURJ-UHFFFAOYSA-N 374.444 3.550 0 40 FHAB CCOc1ccc2ccccc2c1C(=O)NC[C@](O)(c1ccco1)C1CC1 75154939 WZSVNKQYXVTRQK-JOCHJYFZSA-N 365.429 3.859 0 40 FHAB Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H](O)C3)s2)cc1Cl 76055668 ZWNBEKGNAWZMSW-ZDUSSCGKSA-N 365.886 3.684 0 40 FHAB Cc1ccc(C(=O)N(C)C)cc1OCc1cn(-c2ccc(Cl)cc2)nn1 79104337 RBKGKUCRZNVOFQ-UHFFFAOYSA-N 370.840 3.510 0 40 FHAB CCOc1ccc(-c2nc(-c3ccc(OC)c(OC)c3)n[nH]2)cc1OCC 85385169 VOZUDDHWQZRSRU-UHFFFAOYSA-N 369.421 3.953 0 40 FHAB Cc1c(C(=O)N[C@H]2CCCCC[C@@H]2CO)cnn1-c1ccccc1Cl 89545010 NGPSJEDNLKXWLH-PBHICJAKSA-N 361.873 3.505 0 40 FHAB Cc1cccc(OC2CCN([C@H]3CCCN(Cc4ccccc4)C3)CC2)n1 95940896 XYICZOAVYOAXPN-NRFANRHFSA-N 365.521 3.898 0 40 FHAB Cc1ccccc1NC(=O)N1CCc2onc(COc3cccnc3)c2C1 96260064 GTTMLMRHCFWNHL-UHFFFAOYSA-N 364.405 3.547 0 40 FHAB Cc1noc(C)c1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 97212401 VBEXVPLQOJYLTH-UHFFFAOYSA-N 352.272 3.613 0 40 FHAB CCC[C@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2ON1c1ccccc1 102699440 YQUPYKFFHHVBLL-RCCFBDPRSA-N 370.836 3.819 0 40 FHAB CC(C)C(NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)C(C)C 113936335 YBVYBCBMPMBZMT-UHFFFAOYSA-N 374.506 3.898 0 40 FHAB CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 142093365 MACOOBYMTXUYHR-UHFFFAOYSA-N 354.269 3.973 0 40 FHAB CN1CCC(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)CC1 219776224 UBKFVQZAKXEMEG-UHFFFAOYSA-N 358.869 3.743 0 40 FHAB C[C@@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccc2c(c1)OCCO2 222689983 GMYAZBGSNZKYBN-MRXNPFEDSA-N 366.461 3.545 0 40 FHAB COc1ccc(F)cc1S(=O)(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222998656 ZRZDPIBUQDMADL-ZDUSSCGKSA-N 363.454 3.753 0 40 FHAB COc1ccc(CNC(=S)Nc2nccc(-c3cccs3)n2)cc1 225185112 HYLRMEJAXQZOQX-UHFFFAOYSA-N 356.476 3.700 0 40 FHAB O=C1CCCN1Cc1ccc(CNC(=S)Nc2ccc(Cl)cc2)cc1 225648172 UPXZEXLRNMMSMV-UHFFFAOYSA-N 373.909 3.949 0 40 FHAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)N[C@H](C)c1ccc(Cl)cc1 225747746 GTFQVGFLDIPUHJ-CQSZACIVSA-N 354.837 3.841 0 40 FHAB COc1ccccc1NC(=O)NCc1nc(-c2ccccc2Cl)no1 225770523 LWZNSQRFOYYVHU-UHFFFAOYSA-N 358.785 3.720 0 40 FHAB CC(=O)N1N=C(c2c(O)cc(C)oc2=O)C[C@H]1c1ccc2ccccc2c1 227173630 VDUPXVXBROEDBR-SFHVURJKSA-N 362.385 3.505 0 40 FHAB c1ccc(CN2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)nc1 306123768 AWCTZOZQLCDNJN-LJQANCHMSA-N 370.460 3.566 0 40 FHAB COc1ccc(CC(=O)NCCc2ccc(-c3ccoc3)s2)cc1OC 390830027 IFUFIWDJOAQTRT-UHFFFAOYSA-N 371.458 3.927 0 40 FHAB CCOc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl 408585344 FFHRLNKBURUBSP-UHFFFAOYSA-N 351.855 3.880 0 40 FHAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC2CCCC2)cc1 408679395 WLASNEWHJRGNAL-UHFFFAOYSA-N 362.429 3.856 0 40 FHAB CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)C1=O 409235620 CMRIQUWATURSNA-CPNJWEJPSA-N 350.418 3.877 0 40 FHAB CC1=NN(C(=O)CSCc2ccccc2)[C@@](O)(c2ccc(C)cc2)C1 409354441 FKBZUVAARXAFTP-FQEVSTJZSA-N 354.475 3.682 0 40 FHAB O=C(CCc1nc2cnccc2[nH]1)Nc1ccc2c(c1)nc1n2CCCCC1 569543399 JLRBJHLONAGSMA-UHFFFAOYSA-N 374.448 3.605 0 40 FHAB O=C(Nc1c(F)cccc1F)N1CC[C@@H](Oc2cnc3ccccc3n2)C1 618254934 HYFMCIOCULEIFM-GFCCVEGCSA-N 370.359 3.593 0 40 FHAB CC1(C)CN(C(=O)c2ccncc2F)c2ccc(Br)cc2O1 622987204 WEKZOUFBDQIMSX-UHFFFAOYSA-N 365.202 3.801 0 40 FHAB C=CC(=O)Nc1cccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)c1 1290792295 KAOBFLXNWIJZTA-MRXNPFEDSA-N 356.422 3.917 0 40 FHAB Cn1cc(CNc2cc(C3CCCCC3)nn2C)c(Br)n1 1328690073 SKJLWRDFPXGPNX-UHFFFAOYSA-N 352.280 3.576 0 40 FHAB Brc1ccc(CN2CC[C@H]3CN(c4ccccn4)C[C@@H]32)s1 1888847520 PMLQVHFIOIIHHJ-JSGCOSHPSA-N 364.312 3.616 0 40 FHAB CC(C)c1noc(-c2ccc(OCC(=O)N[C@@H](C)c3ccccn3)cc2)n1 32578806 KBGQGCYWTJHGNI-AWEZNQCLSA-N 366.421 3.511 0 40 FHAB O=C(O)CCn1c(/C=C/c2ccccc2Cl)nc2ccccc2c1=O 29736946 FHOCMEXOKSCPSF-MDZDMXLPSA-N 354.793 3.695 0 40 FHAB CCC(=O)N(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCCC1 1377531 ICACOUBGRLIRHE-UHFFFAOYSA-N 372.465 3.617 0 40 FHAB CCCOc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3o2)cc1 2181802 PHVQJBNZIORYCZ-UHFFFAOYSA-N 353.378 3.827 0 40 FHAB CCc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)OC)c3N2)s1 2776748 SQKYMRWBOYCNHA-CMPLNLGQSA-N 359.373 3.954 0 40 FHAB COc1ccc2nc(S[C@H](C)C(=O)Nc3cccc(C(C)=O)c3)[nH]c2c1 4252205 NGKBJIPTMCWYAC-GFCCVEGCSA-N 369.446 3.893 0 40 FHAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102699168 VDFYIRGOFCKINS-ZYSHUDEJSA-N 374.440 3.632 0 40 FHAB COc1ccccc1-n1cnnc1SCC(=O)c1ccc2c(c1)CCC2 4894909 PMFOFPJSJMMVAF-UHFFFAOYSA-N 365.458 3.740 0 40 FHAB C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)n1nnc(-c2ccccc2)n1 32911267 PNFLVPBNRCLXRX-SNVBAGLBSA-N 362.220 3.847 0 40 FHAB COc1ccc(-c2noc(COC(=O)c3cc(Cl)ccc3F)n2)cc1 7526781 PNYRJEKRLNORBB-UHFFFAOYSA-N 362.744 3.895 0 40 FHAB Cc1ccc(-c2nc(C)c(C(=O)N3CC(=O)Nc4ccccc43)s2)o1 33163284 GISYMXILTGDBEF-UHFFFAOYSA-N 353.403 3.619 0 40 FHAB COc1ccc2[nH]cc(CCNC(=O)c3ccc4ncsc4c3)c2c1 12408489 FEFGQPIEQQQJMW-UHFFFAOYSA-N 351.431 3.759 0 40 FHAB C[C@H](NC(=O)c1ccc(Cl)cc1Cl)[C@@H]1COc2ccccc2O1 892574 DGJSKZNSBZWPBA-QFYYESIMSA-N 352.217 3.952 0 40 FHAB CC(=O)c1cc(CCC(=O)OCc2csc(-c3ccccn3)n2)oc1C 23200618 WTQHDDQJZARTLH-UHFFFAOYSA-N 370.430 3.985 0 40 FHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)cc2C)cc1 954905 GSRMBGWUUKSPHK-BJMVGYQFSA-N 359.809 3.852 0 40 FHAB CN(Cc1ccc2c(c1)OCO2)C(=O)Cc1ccc(C(F)(F)F)cc1 23751384 KGPWMGLFTALWCM-UHFFFAOYSA-N 351.324 3.635 0 40 FHAB C[C@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1ccc(Cl)c(Cl)c1 23792376 XSHVYWYDCQJPIT-JTQLQIEISA-N 366.248 3.653 0 40 FHAB COc1cc(C(=O)NCc2ccc(-c3csc(C)n3)o2)cc(OC)c1C 24246730 HMRUIRBGVMFDDJ-UHFFFAOYSA-N 372.446 3.967 0 40 FHAB CN(C)Cc1ccccc1NC(=O)c1cccc(NC(=O)C(C)(C)C)c1 24809052 HSZGMHBSVOILMR-UHFFFAOYSA-N 353.466 3.985 0 40 FHAB CC(C)N(Cc1ccccn1)C(=O)[C@@H]1CC(c2ccc(Cl)s2)=NO1 55739768 OQLQJNONIPLZAR-AWEZNQCLSA-N 363.870 3.727 0 40 FHAB CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 56227362 PEURGDYKCLGCRF-UHFFFAOYSA-N 354.397 3.575 0 40 FHAB C[C@H](NC(=O)COC(=O)c1ccc2ccccc2c1O)[C@H]1C[C@H]2CC[C@H]1C2 107324516 QPGHMXIDOBOKSN-IWKLRQMXSA-N 367.445 3.643 0 40 FHAB CCCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1 57996784 SLHWCVBLZZZIEQ-UHFFFAOYSA-N 353.827 3.792 0 40 FHAB CCC[C@H]1[C@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@H]2ON1c1ccccc1 101063879 QSKYXFFJXIDPSS-NSHGMRRFSA-N 364.445 3.782 0 40 FHAB Cc1coc2cc3oc(=O)c(CCC(=O)NCc4ccco4)c(C)c3cc12 2094395 VHHHOIMUQNZCRE-UHFFFAOYSA-N 365.385 3.998 0 40 FHAB biogenic COc1ccc2c(c1)N(C(=O)CSc1ncccn1)C(C)(C)C=C2C 20798106 VFCHSHJFKQWARC-UHFFFAOYSA-N 355.463 3.806 0 40 FHAB CC1CCN(CCCNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1 28066497 PYRXHLZZTYTWJN-UHFFFAOYSA-N 353.510 3.899 0 40 FHAB CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2cccs2)cc1 10512357 WEJZRMSNHVYXHJ-UHFFFAOYSA-N 372.471 3.576 0 40 FHAB O=C(Nc1nnc(-c2ccco2)s1)c1cccc(OC[C@@H]2CCCO2)c1 12764170 ZDJQFPZEOLTVQH-AWEZNQCLSA-N 371.418 3.608 0 40 FHAB C[C@@H](CCc1ccco1)NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1 12782173 VHHZIXJIGDTXJI-INIZCTEOSA-N 374.444 3.824 0 40 FHAB O=C(CCSc1nncs1)NC(c1ccccc1)c1ccccc1 12768504 QOAISYAMNCTSEP-UHFFFAOYSA-N 355.488 3.926 0 40 FHAB Cn1ccc(NC(=O)c2ccccc2SCc2cn3ccccc3n2)n1 28497296 KANDTOIUQWPQSK-UHFFFAOYSA-N 363.446 3.612 0 40 FHAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc2c(c1)NC(=O)CO2 12781653 QFTDATBICMKXPI-UHFFFAOYSA-N 358.397 3.866 0 40 FHAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)NC(=O)CO2 58924314 VLIMKQUOPYSPQL-MJGOQNOKSA-N 364.445 3.816 0 40 FHAB COc1ccc(-c2nnc3sc(-c4ccc(N(C)C)cc4)nn23)cc1 2438593 ZVKAXDHRZZZUDL-UHFFFAOYSA-N 351.435 3.594 0 40 FHAB CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(-c3ccccc3F)c2C)c1 12878251 YAZMNMZGPNTATA-UHFFFAOYSA-N 370.359 3.670 0 40 FHAB O=S(=O)(c1ccccc1)N1CCN(c2cccc(Cl)c2Cl)CC1 11566390 WDSFJVYTMPNCPB-UHFFFAOYSA-N 371.289 3.504 0 40 FHAB Cc1nc2ccccc2n1CCNC(=O)c1ccccc1Br 8720063 JFTILMZFFXAJQA-UHFFFAOYSA-N 358.239 3.537 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)CCc1c[nH]c3ccccc13)CC2 3438964 IHIUSSOCEANZLU-UHFFFAOYSA-N 364.445 3.703 0 40 FHAB biogenic COc1ccc2nc(NC(=O)CCc3ccc(OC)c(OC)c3)sc2c1 3479251 BZYGSSOTQLPQLM-UHFFFAOYSA-N 372.446 3.893 0 40 FHAB C[C@H](NC(=O)CSc1nncc(-c2cccs2)n1)c1ccc(F)cc1 8744740 PWVHFMXXWDXGCN-NSHDSACASA-N 374.466 3.709 0 40 FHAB CCCCn1nc(C(=O)Oc2ccc(C(C)=O)cc2)c2ccccc2c1=O 3561977 IFMBARURVMXXEY-UHFFFAOYSA-N 364.401 3.618 0 40 FHAB CC(C)N(CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C)Cc1ccccc1 12909990 NBVACZPBDCJARY-KRWDZBQOSA-N 365.477 3.661 0 40 FHAB CC[C@@H](COC(=O)C(O)(c1ccccc1)c1ccccc1)N(CC)CC 3634002 XEECKVYRHXGIEU-FQEVSTJZSA-N 355.478 3.586 0 40 FHAB Cc1ccc(S(=O)(=O)N2CC(Cc3ccccc3C(F)(F)F)C2)cc1 71924175 FEZLJUGOAMPZEZ-UHFFFAOYSA-N 369.408 3.877 0 40 FHAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccccc1C(F)(F)F 24854797 IXBHCBNNVBAFIR-UHFFFAOYSA-N 354.303 3.555 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2)c1C 5111508 WUOFZJYERLZXBP-UHFFFAOYSA-N 367.323 3.893 0 40 FHAB CCN(Cc1nc(-c2ccc(C)cc2)no1)S(=O)(=O)c1ccc(C)cc1 13957042 QLQAWNZVNYNGTP-UHFFFAOYSA-N 371.462 3.564 0 40 FHAB CCOc1ccc(CC(=O)OCC(=O)Nc2ccc(F)c(Cl)c2)cc1 9033350 ONXATLMVVSLVCF-UHFFFAOYSA-N 365.788 3.602 0 40 FHAB CSc1ccc(CN(C)C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1 14068699 TZGFRVJEOZONIV-MRXNPFEDSA-N 358.438 3.632 0 40 FHAB O=S(=O)(c1ccc(SCc2ccc(Cl)cc2)nc1)N1CCCC1 5703849 ZBNGTIBRGLDAKU-UHFFFAOYSA-N 368.911 3.812 0 40 FHAB CC(C)CCNC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 4871063 ZMEOJCXYBBUPGB-UHFFFAOYSA-N 366.417 3.814 0 40 FHAB Cc1cc(SCC(=O)NCc2ccco2)nc(-c2cccc(F)c2)n1 67257255 KNWQKBLVEPPOQH-UHFFFAOYSA-N 357.410 3.593 0 40 FHAB CCN(C(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O)c1cccc(C)c1 67205751 VTLAMORWPJVSAX-UHFFFAOYSA-N 361.445 3.580 0 40 FHAB CC(C)CCn1c(S[C@H]2CCOC2=O)nc2cc(Cl)ccc2c1=O 7238120 SFZCWAWYCLQXHM-AWEZNQCLSA-N 366.870 3.504 0 40 FHAB CCNc1nnc(S[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)s1 7249159 WSUMKOIEGVDAMB-SSDOTTSWSA-N 360.867 3.882 0 40 FHAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc21 15867618 GWXLWWLQCBGDBR-UHFFFAOYSA-N 371.462 3.666 0 40 FHAB CC(C)c1ccc(C2=CSC3=NS(=O)(=O)CCN23)c(C(C)C)c1 7719324 QZGNCOPXIWBARI-UHFFFAOYSA-N 350.509 3.980 0 40 FHAB C[C@H](Sc1nc2ccccc2c(=O)n1C1CC1)C(=O)Nc1ccccc1 7860847 IRJJHKIKWVJSHD-ZDUSSCGKSA-N 365.458 3.851 0 40 FHAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)NC12CC3CC(CC(C3)C1)C2 16431192 YIRVYUMYPGGQAR-UHFFFAOYSA-N 374.868 3.723 0 40 FHAB Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N(C)C[C@H]1CCCO1 69033711 PRNIHWAAWVPYSM-GOSISDBHSA-N 373.497 3.510 0 40 FHAB Cc1ccc(-c2cc(NC(=O)CN(C)CCOc3ccccc3)on2)cc1 8213181 IACIIHAKCIHKCH-UHFFFAOYSA-N 365.433 3.599 0 40 FHAB C[C@H](NC(=O)[C@@H](C)NC(=O)c1ccco1)c1ccc(-c2ccccc2)cc1 8230650 BDUXLKGDSCNPLB-JKSUJKDBSA-N 362.429 3.942 0 40 FHAB Nn1c(SCc2ccccc2Cl)nc2cc(Cl)ccc2c1=O 71768836 MZARRURJDIFGND-UHFFFAOYSA-N 352.246 3.709 0 40 FHAB C[C@]1(c2ccccc2)C[C@@H]1Nc1nn2c(=O)cc(-c3ccccc3)nc2s1 72302130 HHWYGGJHVVACMO-LAUBAEHRSA-N 374.469 3.960 0 40 FHAB COc1ccc([C@@H](Nc2c(F)c(F)nc(F)c2F)c2nccn2C)cc1 79046776 WMTMMPXMGQTMPP-CYBMUJFWSA-N 366.318 3.582 0 40 FHAB CC[C@H](NCc1ccccc1C(F)(F)F)c1cccc(S(N)(=O)=O)c1 95462591 AQGAZQMOAXBZTG-INIZCTEOSA-N 372.412 3.594 0 40 FHAB O=C(Nc1c[nH]nc1[C@@H]1CCCN(C(=O)C2CCCCC2)C1)C1CCCC1 95998727 JVBGZLHPMDWMGR-QGZVFWFLSA-N 372.513 3.825 0 40 FHAB O=C(CN1CCCCC[C@H]1C[C@H](O)c1ccccc1)NCc1cccs1 75107788 XWEQHUNSEYXIGS-ICSRJNTNSA-N 372.534 3.733 0 40 FHAB Cc1cc(C)n(Cc2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)n1 27970446 YYWLQUWOUXCWRP-UHFFFAOYSA-N 368.525 3.587 0 40 FHAB O=C(NC1CCCCCCC1)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 408997839 JNRWDYZTRFSZNW-SFHVURJKSA-N 372.465 3.543 0 40 FHAB O=C(CSc1nnc(CNc2ccc(F)cc2)o1)c1ccccc1F 35315888 ZRFURIMLIRLTPB-UHFFFAOYSA-N 361.373 3.935 0 40 FHAB O=C1N=C(O)/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1ccco1 33666340 QMQOYGLHYDCNPO-MDWZMJQESA-N 364.279 3.801 0 40 FHAB O=C(N[C@@H]1CCCOc2ccccc21)N1CC[C@@H](c2ccc(O)cc2)C1 1563889242 RERODVVJELZEDB-VQIMIIECSA-N 352.434 3.805 0 40 FHAB CN1CCC(Oc2ccc(CNC(=O)c3ccc(Cl)cc3)cc2)CC1 78578670 LRUMISHUXWFSKS-UHFFFAOYSA-N 358.869 3.743 0 40 FHAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN=C2Cc2ccccc2)c1C 32602301 CPJKBZXXHYNYPN-UHFFFAOYSA-N 356.491 3.566 0 40 FHAB CCOc1ccc(CNC(=S)Nc2cc(C(=O)OC)ccc2C)cc1 225430551 QCOFBEFXRPREIM-UHFFFAOYSA-N 358.463 3.667 0 40 FHAB COc1ccc(C2(C(=O)Nc3cccc4[nH]ccc34)CCOCC2)cc1 85876933 JWNCARKFFVXECF-UHFFFAOYSA-N 350.418 3.863 0 40 FHAB biogenic COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1C 223254639 YGCVHNNYTYDHAO-HNNXBMFYSA-N 359.491 3.840 0 40 FHAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 222798118 BCDPDKNCOCTGHU-RTBURBONSA-N 364.474 3.570 0 40 FHAB CCOc1ccc(-c2cnc(CCC(=O)NCc3ccccc3)o2)cc1 224855465 PXDZGLFLCNOWHY-UHFFFAOYSA-N 350.418 3.989 0 40 FHAB CCO[C@@](C)(CC)C(=O)Nc1ccc(OCCCN(CC)CC)cc1 225650738 VZOIVPSAOIKRQZ-FQEVSTJZSA-N 350.503 3.941 0 40 FHAB Cc1cccc(CSCC(=O)N2CCN(Cc3ccccc3)CC2)c1 222736244 ROAKVYAUCRUAAN-UHFFFAOYSA-N 354.519 3.573 0 40 FHAB CCOC(=O)c1cccnc1N1CCC(c2nc3ccccc3o2)CC1 48314497 FPSVUTKRTQPNNK-UHFFFAOYSA-N 351.406 3.784 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225053275 AGLLDYDHRPNAOM-HNNXBMFYSA-N 360.410 3.535 0 40 FHAB CCOP(=O)(OCC)[C@@H](C(=O)OC)c1ccc(Br)cc1 199524888 XPAIDROLSYITIC-GFCCVEGCSA-N 365.160 3.929 0 40 FHAB COC(=O)c1nc(NC(=O)c2nc(Cl)sc2C)sc1C(C)C 96231625 FLXPGBDCRKURNN-UHFFFAOYSA-N 359.860 3.724 0 40 FHAB Cc1ccc(C)c(N(CC(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)c1 243846080 RDOTYXWRPKVDDL-UHFFFAOYSA-N 374.506 3.832 0 40 FHAB Cc1sc2ncnc(N3CC[C@](CO)(Cc4ccc(F)cc4)C3)c2c1C 585083504 XLGYPXBJINJVEC-FQEVSTJZSA-N 371.481 3.879 0 40 FHAB CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1 601014556 VYLAPJPXVVMMJS-HZPDHXFCSA-N 362.470 3.914 0 40 FHAB O=C(O)[C@@H]1[C@H]2CC[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 1772794991 AMOBCOAVJUWROS-YRVVQQKDSA-N 363.413 3.731 0 40 FHAB O=C(Cn1c(=O)oc2ccccc21)N[C@H](c1ccccc1F)C1CCCC1 1322471822 FMXWEKKMBNBFTG-FQEVSTJZSA-N 368.408 3.781 0 40 FHAB COC[C@H]1CN(Cc2ccco2)CC12CCN(Cc1cccs1)CC2 585102667 ALXOJOBEXRRIGK-QGZVFWFLSA-N 360.523 3.702 0 40 FHAB CCCN1CCN(C(=O)c2cc3c(s2)-c2ccc(OC)cc2CC3)CC1 57281440 MFNMSOVIWPTONF-UHFFFAOYSA-N 370.518 3.690 0 40 FHAB Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)on1 12118440 SBXHAEDPLWNDJP-CVEARBPZSA-N 352.438 3.502 0 40 FHAB CSc1cc(C(=O)O)ccc1NS(=O)(=O)c1ccccc1Cl 13278912 SWNQZLKPPJTPKJ-UHFFFAOYSA-N 357.840 3.561 0 40 FHAB CCOc1ccc(S(=O)(=O)N(C)c2ccc(N3CCCC3)cc2)cc1 13674818 PGKRNFVVVIPOKV-UHFFFAOYSA-N 360.479 3.511 0 40 FHAB CCC(=O)N1N=C(c2ccc(C)cc2)Sc2c1nc(C)n2C(=O)CC 16777105 HZXDHRIUXFKGNT-UHFFFAOYSA-N 356.451 3.761 0 40 FHAB Cc1ccc([C@H](NC(=O)CCCN2CCCC2)c2ccncc2)cc1C 19213526 DXVOLAFJBRDXFN-JOCHJYFZSA-N 351.494 3.780 0 40 FHAB Cc1ccc(-c2nnc([C@H]3CCCN3C(=O)Cc3c(C)noc3C)o2)s1 19217687 DRIFHZRUXLAGOU-CQSZACIVSA-N 372.450 3.618 0 40 FHAB Cc1csc([C@H](Cc2ccsc2)NC(=O)C[C@H](C)n2ccnc2)n1 19240149 LDHCAHWORXONSH-ZFWWWQNUSA-N 360.508 3.761 0 40 FHAB CC(=O)N[C@H](c1ccccn1)C1CCN(C[C@H](C)c2ccccc2)CC1 19456071 HRMBPBHXLNGPTO-JTSKRJEESA-N 351.494 3.775 0 40 FHAB CCCN1CCC(C[C@H]2CC(c3ccccc3C)=NO2)(C(=O)OCC)CC1 19502607 FHDIGGKYNQPFLX-GOSISDBHSA-N 372.509 3.933 0 40 FHAB Brc1cccc(CN2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 19842140 SWYIISUVTWEOOY-BPQIPLTHSA-N 361.327 3.779 0 40 FHAB Cc1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2CCC(=O)O)cc1 1481426 WVFWPEKHXUDJHB-SFQUDFHCSA-N 368.820 3.753 0 40 FHAB Cc1cccc(OC[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3F)C2)n1 1775996232 FRXBYXKYMLINET-OAHLLOKOSA-N 360.404 3.528 0 40 FHAB Cc1ccc(OCC2(O)CCN(C(=O)c3ccccc3C)CC2)cc1C 2037916240 YSIOCBVUWBFFSU-UHFFFAOYSA-N 353.462 3.658 0 40 FHAB COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)Cc1ccccc1 8601033 NLGLAOPGZQYFLV-UHFFFAOYSA-N 358.401 3.586 0 40 FHAB Cn1cc(-c2cc(CNC(=O)c3ccc(Cl)c(Cl)c3)ccn2)cn1 575618221 KFLCEBDCDQUYCR-UHFFFAOYSA-N 361.232 3.719 0 40 FHAB CCOC(=O)c1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1 38930113 QHGGHLADHCRTMO-UHFFFAOYSA-N 353.378 3.567 0 40 FHAB O=C(NC[C@@](O)(c1ccco1)C1CC1)Nc1ccccc1C(F)(F)F 75155004 LHHQWAUJJXSKTM-INIZCTEOSA-N 354.328 3.718 0 40 FHAB CCCCCn1c(=N)n(C[C@H](O)COc2ccccc2)c2ccccc21 20330030 UBFHLTNHWQMEEL-KRWDZBQOSA-N 353.466 3.552 0 40 FHAB NC(=O)c1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)ccc1Cl 29338681 YZAMDEZBAVPLEC-UHFFFAOYSA-N 358.703 3.590 0 40 FHAB COc1cccc(NC(=O)CS[C@H]2CCc3ccccc3N=C2O)c1 11865835 KGAHNJLCDQACEV-KRWDZBQOSA-N 356.447 3.970 0 40 FHAB COc1ccc(Cl)cc1N1CC[C@H](NC(=O)Cc2ccc(C)cc2)C1 60365588 GQJPPSBLXUYZIP-KRWDZBQOSA-N 358.869 3.595 0 40 FHAB CC(=O)N(Cc1cccs1)Cc1cc2ccc(C)c(C)c2n2nnnc12 1367402 ZIZAGQAJNUNMCE-UHFFFAOYSA-N 365.462 3.505 0 40 FHAB COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)cc1 1459928 YCWLMRNMRRFAPK-INIZCTEOSA-N 352.434 3.810 0 40 FHAB Cc1cc(=O)c(C(=O)N[C@@H](c2ccccc2)C(C)C)nn1-c1ccccc1 32778167 VTZJZVNZEDTXSF-HXUWFJFHSA-N 361.445 3.668 0 40 FHAB FC(F)(F)c1cc(C2CC2)nc2cc(-c3nnc(-c4ccccn4)o3)nn12 2803334 UFPPSPFAPZMZEM-UHFFFAOYSA-N 372.310 3.738 0 40 FHAB Cc1ccc2c(c1)CCCN2C(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C 32879738 VQXVSPDHOLHTOA-UHFFFAOYSA-N 373.456 3.960 0 40 FHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(OCc2cccs2)c1 32801450 QTQAAVWBWXFHDX-UHFFFAOYSA-N 365.414 3.749 0 40 FHAB O=C(O)Cc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 12029134 OVJOXMSYQWMNEO-UHFFFAOYSA-N 354.189 3.638 0 40 FHAB COc1ccc(C)c2sc(N3CCN(C(=O)c4cccs4)CC3)nc12 4583546 JFTAOPJWERFFFT-UHFFFAOYSA-N 373.503 3.637 0 40 FHAB CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1ccoc1C 4860793 FPUMSHXHTRZCLG-WFASDCNBSA-N 362.499 3.653 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1N[C@H](C)C(=O)N1CCc2ccccc21 32900804 WMDQQVXRSBZERI-MRXNPFEDSA-N 360.461 3.879 0 40 FHAB COc1ccc(C(=O)COC(=O)c2ccc3[nH]c(C)c(C)c3c2)c(OC)c1 7735430 CKCBAMMTVHBTGR-UHFFFAOYSA-N 367.401 3.842 0 40 FHAB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=S)N[C@H]1c1ccccc1 7851096 ZRVYGPLBPVRHEV-SFHVURJKSA-N 352.459 3.878 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc1 2767913 PXDBIVUSKURMHZ-UHFFFAOYSA-N 361.854 3.694 0 40 FHAB COCc1nc(OC)c2c(C)c(C(=O)Nc3ccc(F)cc3)sc2n1 7991056 WKFMPYHXMRTHAE-UHFFFAOYSA-N 361.398 3.546 0 40 FHAB COc1ccc(F)cc1S(=O)(=O)Nc1c(Cl)cccc1Cl 10301944 ZRCCBNMCUVDOSL-UHFFFAOYSA-N 350.198 3.942 0 40 FHAB CCN1CCC[C@@H]1CNC(=O)c1cnn(-c2ccc(C)cc2)c1C(C)C 75719836 VNZPZOXNZHLQCX-GOSISDBHSA-N 354.498 3.518 0 40 FHAB CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccc(C(C)(C)C)cc1 8944740 NPTQVSGXQMMVSX-UHFFFAOYSA-N 372.538 3.977 0 40 FHAB CN(Cc1cccc(Cl)c1)C(=O)CC[C@H]1Cc2ccccc2NC1=O 22316182 PABHEMRENJLXEQ-INIZCTEOSA-N 356.853 3.890 0 40 FHAB C[C@H](NC(=O)[C@@H](C)OC(=O)c1c[nH]c2ccccc12)c1ccc(F)cc1 22975802 SIYKLCICWSEKHU-QWHCGFSZSA-N 354.381 3.730 0 40 FHAB C[C@H](CNC(=O)c1cccc(OCc2ccccc2Cl)c1)CN(C)C 22258304 JPSWDGDWJYAGSW-OAHLLOKOSA-N 360.885 3.847 0 40 FHAB CCc1cccc(CC)c1NC(=O)CN1CCN(Cc2ccsc2)CC1 23249019 CCODNUJQEMBMEZ-UHFFFAOYSA-N 371.550 3.629 0 40 FHAB CC1(C)Cc2c(c(-c3ccco3)nc3sc4c(=O)[nH]cnc4c23)CO1 12437012 LWXTZTBZRNUYJS-UHFFFAOYSA-N 353.403 3.644 0 40 FHAB O=C(Nc1ccc(C(=O)NCCc2ccccc2F)s1)c1ccco1 23692628 NOFRJNFJUBWGEP-UHFFFAOYSA-N 358.394 3.705 0 40 FHAB C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc(F)c(F)c1 12562551 YVYKUORKTHHKCS-GFCCVEGCSA-N 359.376 3.531 0 40 FHAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)NC[C@@H]3CCCO3)cc2)o1 24828807 BNMJKZQIXKVBJR-KRWDZBQOSA-N 363.417 3.621 0 40 FHAB Cc1ccc(NC(=O)Cc2noc3ccccc23)c(OC[C@@H]2CCCO2)c1 56303405 LADSSNGOLSLCCR-HNNXBMFYSA-N 366.417 3.875 0 40 FHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1-n1ccnc1 20493971 GHPCGAVZSNCNMC-IBGZPJMESA-N 369.852 4.000 0 40 FHAB Cc1ccc(OCCC(=O)OCC(=O)c2ccc(OC(F)F)cc2)cc1 3288384 WNIIAADFLKFKAQ-UHFFFAOYSA-N 364.344 3.791 0 40 FHAB COc1ccc(/C=C/C(=O)OCC(=O)c2cccc(Cl)c2)c(OC)c1 3240041 KMYIQGGOLBGXIQ-VQHVLOKHSA-N 360.793 3.797 0 40 FHAB COCCN(CCOC)c1nc(-c2ccc(C)cc2)nc2ccccc12 1775406 VDENOZWXPJFATJ-UHFFFAOYSA-N 351.450 3.704 0 40 FHAB COc1ccc(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)cc1 3392477 BHYLXLIDYWWLBC-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB CCOc1ccccc1Nc1nnc(SCC(=O)OC(C)C)s1 3364548 OKEWQFQLHKTZFA-UHFFFAOYSA-N 353.469 3.724 0 40 FHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)COc1cccc(C)c1 28189177 ZWBYPEJHOXAXPD-UHFFFAOYSA-N 357.435 3.534 0 40 FHAB Cc1cc(NC(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)no1 58174512 ITWCFKHJMNCMSK-ZDUSSCGKSA-N 371.372 3.584 0 40 FHAB Cc1ccccc1C(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl 3329600 XTFIPQVGNQAUSC-UHFFFAOYSA-N 372.730 3.858 0 40 FHAB COC(=O)CCCCCNC(=O)[C@@H](SCc1ccccc1)C(C)C 58355487 IXGRWJSRDXDGRQ-SFHVURJKSA-N 351.512 3.794 0 40 FHAB CCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O 2248147 CLGVFKQSXWCJLO-UHFFFAOYSA-N 364.184 3.971 0 40 FHAB O=C1C[C@H](c2ccc(C(=O)O)cc2)c2ncn(-c3ccccc3Cl)c2N1 36358335 IOECWQHJEUPPIW-CYBMUJFWSA-N 367.792 3.698 0 40 FHAB CCN(CC)[C@@H](CNC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 12767730 CPKLGOUETPUHMD-KRWDZBQOSA-N 355.438 3.620 0 40 FHAB O=C(CCS(=O)(=O)C1CCCC1)NC1CCC(c2ccccc2)CC1 48302278 YXYNUPCVEHFTDR-UHFFFAOYSA-N 363.523 3.577 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@H](C)c2cccc(F)c2)c(Br)c1 12898517 YMNGQIMVCPXYBF-LLVKDONJSA-N 372.259 3.936 0 40 FHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc2ccccc2n1 8349266 SDHGEUHTBYZCFT-HNNXBMFYSA-N 357.417 3.649 0 40 FHAB CCOC(=O)[C@H](Sc1nncn1-c1ccccc1C)c1ccccc1 3413984 FUFGNGKELGYKND-QGZVFWFLSA-N 353.447 3.972 0 40 FHAB c1cc(CN2CC[C@@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)cs1 306140055 UIJLVGXJRRJFTQ-GOSISDBHSA-N 357.504 3.848 0 40 FHAB COc1cc2c(cc1NS(=O)(=O)c1c(C)n[nH]c1C)oc1ccccc12 3566221 CISJQVSWDBNYFB-UHFFFAOYSA-N 371.418 3.735 0 40 FHAB C[C@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)c1ccccc1 13072740 OEORBVFCNPMBEV-HNNXBMFYSA-N 353.418 3.688 0 40 FHAB O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2Cl)c1 13340827 YVHCSYZTXFUWPN-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB O=c1c2ccccc2nnn1CCCOc1cc(Cl)cc(Cl)c1 4109941 XQBZLWHIQJJFGP-UHFFFAOYSA-N 350.205 3.567 0 40 FHAB CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1OC 13750904 OQLBXUJCZZBUIU-UHFFFAOYSA-N 364.445 3.979 0 40 FHAB COCc1nc(C(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)cs1 65052694 ISFVTFDEOBWMGV-UHFFFAOYSA-N 356.451 3.653 0 40 FHAB O=S(=O)(c1ccc(Br)cc1Cl)N1CCc2ccccc21 5126715 SJJAPXPLCLKIFK-UHFFFAOYSA-N 372.671 3.854 0 40 FHAB COc1c(C)cccc1C(=O)NC(=S)NC12CC3CC(CC(C3)C1)C2 13843170 CANAEFVLLYFMQW-UHFFFAOYSA-N 358.507 3.577 0 40 FHAB CN(Cc1ccc2c(c1)OCO2)[C@@H](C(=O)N1CCCCC1)c1ccccc1 14085658 DVHWGXPINIFKPA-OAQYLSRUSA-N 366.461 3.601 0 40 FHAB O=C1C[C@H](c2ccccc2)N(C(=O)c2cc3cc(Cl)ccc3[nH]2)CCN1 65514669 MSCZGJUVQIGNSL-GOSISDBHSA-N 367.836 3.525 0 40 FHAB CCNC(=O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccccc2)c1 14199245 JBKHRJDLUAGLFV-UHFFFAOYSA-N 372.424 3.920 0 40 FHAB CCc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)C)c1 408583810 KMUINAKPXCTLAL-UHFFFAOYSA-N 374.506 3.744 0 40 FHAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nonc1-c1ccc(Cl)cc1 8869605 OTOPROIWTGUDEE-SNVBAGLBSA-N 361.760 3.935 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)Cc1ccc2c(c1)OCO2 15029559 RHWGQBOICKGDTL-ZDUSSCGKSA-N 360.841 3.836 0 40 FHAB O=C(NC(=S)Nc1ccccc1Br)c1ccccc1F 4995289 ICHCKDIVNOTKQW-UHFFFAOYSA-N 353.216 3.715 0 40 FHAB CC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)cc1 7069125 ZZILSAPUGRRAEZ-UHFFFAOYSA-N 356.809 3.922 0 40 FHAB Cc1cccc(Nc2nc(N3C[C@@H](C)C[C@H](C)C3)nc3c2cnn3C)c1 7448648 PSQIGYSXZKWMGK-GJZGRUSLSA-N 350.470 3.898 0 40 FHAB O=C(COc1ccc(F)cc1)OCc1nc(-c2ccc(Cl)cc2)no1 7471061 KXZHHVRUBUTRGI-UHFFFAOYSA-N 362.744 3.651 0 40 FHAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CC(=O)N(c2ccccc2F)C1 7474480 PSSCUJKLQUCRPR-SNVBAGLBSA-N 350.752 3.610 0 40 FHAB COC(=O)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]23)cc1 170621202 XYEPZFXWJXPTAL-XPABHHOTSA-N 373.499 3.875 0 40 FHAB COc1cc2c(cc1OC)CN(Cc1ccc(O)c3ncccc13)CC2 7973415 HFZFGEOMRGHBSQ-UHFFFAOYSA-N 350.418 3.516 0 40 FHAB Cc1ccc(C)c(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)c1 7927246 WZBDGTGSPHBRQU-QGZVFWFLSA-N 358.507 3.985 0 40 FHAB C[C@H](Sc1nnnn1Cc1ccccc1)c1nnc(-c2cccs2)o1 16448408 VXEUFHHVLKVWRH-NSHDSACASA-N 370.463 3.686 0 40 FHAB CS(=O)(=O)c1ccc([C@@H]2CC(O)=Nc3c2cnn3C2CCCC2)cc1 71279271 ZPPGXKJRVMUCER-HNNXBMFYSA-N 359.451 3.525 0 40 FHAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCc1ccc2ccccc2c1 78232721 SAIXKWRTZQGVIS-HSZRJFAPSA-N 372.468 3.992 0 40 FHAB CCN1CCN(c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)CC1 9368769 HXSDNWSGCHHTER-UHFFFAOYSA-N 367.537 3.983 0 40 FHAB O=S(=O)(c1cc(F)c(F)cc1F)N(Cc1ccccc1)CC(F)F 72313124 JXPPSCKLXPRCMI-UHFFFAOYSA-N 365.323 3.560 0 40 FHAB COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccccc1C 9646296 MWLXFEWWVHCZPO-UHFFFAOYSA-N 361.444 3.797 0 40 FHAB C[C@H](c1cccc(C(F)(F)F)c1)N(Cc1nnnn1C1CC1)C1CC1 72018903 JPYSALGLFRAKBM-LLVKDONJSA-N 351.376 3.752 0 40 FHAB COC(=O)[C@H](C)c1c(C)nn(Cc2nc(-c3ccccc3)oc2C)c1C 84013971 PAFUERBWYDIUAC-GFCCVEGCSA-N 353.422 3.788 0 40 FHAB COc1cccc([C@H](O)CN2CCN(C3CCC(C(C)C)CC3)CC2)c1 84680421 WEAZBZDXCODMSK-ZOGYUUGASA-N 360.542 3.561 0 40 FHAB O=C(c1ccc(F)c(F)c1F)N1CCN(C/C=C/c2ccccc2)CC1 28210967 NFBLNLHRPOTNBC-QPJJXVBHSA-N 360.379 3.575 0 40 FHAB COCCn1ccc2c(C(=O)Nc3c(C)nn(C(C)C)c3C)cccc21 79480556 SGERRWQIEGUFFW-UHFFFAOYSA-N 354.454 3.934 0 40 FHAB C[C@H](NC(=O)CCc1nc2ncc(Br)cc2[nH]1)c1ccccc1 79480047 QXFLRYCVUFDXNL-NSHDSACASA-N 373.254 3.530 0 40 FHAB Cc1ccc(C(=O)N[C@H](C(=O)Nc2cnc(Cl)c(C)c2)C(C)C)cc1 75094338 TTZDJHRZIMSSQE-INIZCTEOSA-N 359.857 3.745 0 40 FHAB Cc1cc(OCC(=O)NCC2([C@@H](O)c3ccccc3)CC2)ccc1Cl 89587685 AYZNOIAOZCBECX-IBGZPJMESA-N 359.853 3.657 0 40 FHAB FC(F)c1nc(NCc2ccc(-n3cncn3)cc2)c2ccccc2n1 75584047 ULSMSPAYLMLWAF-UHFFFAOYSA-N 352.348 3.760 0 40 FHAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(C(=O)O)cc2)cc1OC 20111160 BVPWOKOANWCGMM-NSHDSACASA-N 361.419 3.521 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)c(C)c1 408589739 FHGVXCDWPVBICI-UHFFFAOYSA-N 372.490 3.649 0 40 FHAB O=C(CCc1ccccc1F)Nc1ccccc1C(=O)NCc1ccco1 27315301 LDQOEJBEJCSFLC-UHFFFAOYSA-N 366.392 3.920 0 40 FHAB Cc1cccc(-n2c(=O)c3sccc3n(Cc3cccc(F)c3)c2=O)c1 67258139 XTPIPOLAVSMIQX-UHFFFAOYSA-N 366.417 3.710 0 40 FHAB Cc1cccc(C)c1N1C(=O)C[C@@H](Nc2ccccc2Br)C1=O 36635509 WKKMIVXXKLIUPB-OAHLLOKOSA-N 373.250 3.810 0 40 FHAB O=C(O)c1cc(F)ccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 33047688 LCALUXCCPXLEHW-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB CCOc1ccc(N(Cc2c(F)cccc2Cl)S(C)(=O)=O)cc1 408628101 UBBGKWCPYUUWKR-UHFFFAOYSA-N 357.834 3.844 0 40 FHAB CC(C)CNC(=O)c1nc(-c2ccn(Cc3cccnc3)c2)n2ccccc12 306132428 LIIZFNQNPLAGIQ-UHFFFAOYSA-N 373.460 3.632 0 40 FHAB Cc1cc([C@@H]2CCCCN2C(=O)c2ccccc2)cnc1N1CCOCC1 72219376 YHIRVGCMNKANKL-FQEVSTJZSA-N 365.477 3.594 0 40 FHAB Cc1cc(Br)c(C)c(S(=O)(=O)N2CCCCCC2)c1C 72414518 PCTFJHYTTCTNPU-UHFFFAOYSA-N 360.317 3.939 0 40 FHAB CC1=C(c2nc(-c3ccccc3)no2)[C@H](c2cccc(F)c2)NC(=O)N1 70635550 ZBQAYEMQQCTZLU-INIZCTEOSA-N 350.353 3.661 0 40 FHAB CN(C)[C@@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccc(F)cc1 32623321 BYINGYPSQUCKEC-HNNXBMFYSA-N 359.426 3.575 0 40 FHAB CCNC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)Nc2ccccn2)C[C@H]1C(C)C 30882094 AWBQJQHZFQVWKV-BZSNNMDCSA-N 372.513 3.584 0 40 FHAB biogenic,in-vitro O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(F)cc1Cl 48956597 XRABMIKDSJCWIJ-KRWDZBQOSA-N 360.816 3.573 0 40 FHAB CCOC(=O)c1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1Cl 225323872 BBOZYZMSICDFBG-FIXISWKDSA-N 352.887 3.992 0 40 FHAB C[C@@]1(C(=O)NCCCc2cccc(F)c2)CC(c2ccccc2F)=NO1 223278246 MWNDSRIXAPIPKD-FQEVSTJZSA-N 358.388 3.597 0 40 FHAB COc1ccc(NC(=S)NCc2nc(-c3ccccc3Cl)no2)cc1 225818664 NMFLFMJYNFLPBY-UHFFFAOYSA-N 374.853 3.885 0 40 FHAB O=C(Nc1nc(C(=O)NCc2ccc(Cl)cc2)co1)c1ccsc1 75157921 XJQBQOJODAEIFG-UHFFFAOYSA-N 361.810 3.572 0 40 FHAB O=C(NC1CCCCC1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 47579264 GUTPLISBQOCUFY-UHFFFAOYSA-N 370.419 3.701 0 40 FHAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1 222627594 LSGORCCBXQLMAI-QGZVFWFLSA-N 352.478 3.561 0 40 FHAB COc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cn1 225680512 PCMKGBFZYKUGAH-HNNXBMFYSA-N 357.479 3.987 0 40 FHAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc4c(c3)OCO4)N21 222650568 JDRYWWUCMWBESS-MORSLUCNSA-N 353.447 3.790 0 40 FHAB CC1(C)CC(=O)N(CCCC(=O)NCCc2ccccc2)c2ccccc21 96184055 RSRDCLUTXRRUDQ-UHFFFAOYSA-N 364.489 3.840 0 40 FHAB CCOC[C@H]1CC2(CCN(C(=O)c3oc4ccccc4c3C)CC2)CO1 96105933 QSKHTDQNGVSTRC-MRXNPFEDSA-N 357.450 3.789 0 40 FHAB Cc1ccc(C(=O)N2C[C@H]3CCC[C@@]3(COCc3ccccn3)C2)s1 96111055 GBIZJJLGOKSFNJ-UZLBHIALSA-N 356.491 3.911 0 40 FHAB COc1ccc(N[C@@H]2CO[C@]3(CCN(Cc4ccc(C)s4)C3)C2)cc1 96047623 XNHUGRVAURQNRN-FXAWDEMLSA-N 358.507 3.911 0 40 FHAB Cc1ccc(CN2CCC3(CC2)CN([C@@H]2CCOC2)Cc2ccccc23)o1 96242599 AGGAOMOCLIKJET-HXUWFJFHSA-N 366.505 3.726 0 40 FHAB COc1cccc(CN2CCC[C@]3(CCN(Cc4cccnc4)C3)C2)c1 96215579 LQGVOPLUDPBNHJ-QFIPXVFZSA-N 351.494 3.578 0 40 FHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@H]4C[C@H]4C)C3)cc2N1 257242106 IBDNXZBAMCWNDX-XLFUENPSSA-N 370.419 3.553 0 40 FHAB COc1ccc(CNC(=S)Nc2ccc(N3CCCC[C@H]3C)nc2)cc1 260692630 GYFOESZUASZIAX-OAHLLOKOSA-N 370.522 3.956 0 40 FHAB CCOc1ccc(-c2ccc(C)c(C(F)(F)F)c2)cc1S(N)(=O)=O 665221413 DWTACUSPVVIMAV-UHFFFAOYSA-N 359.369 3.727 0 40 FHAB Fc1ccc(-c2nc(CN3CCN4CCC[C@H]4C3)co2)cc1C(F)(F)F 625196501 NGBZFUVKYSSKQA-AWEZNQCLSA-N 369.362 3.780 0 40 FHAB CC(C)(C)c1ccc(O)c(NC(=O)c2cccc(Cn3cncn3)c2)c1 626227974 SOJFGIZPXDBJNT-UHFFFAOYSA-N 350.422 3.582 0 40 FHAB COc1cccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccccc2Cl)c1 5791576 CYZVJSWNYXMBCY-QGZVFWFLSA-N 371.824 3.615 0 40 FHAB CC(C)C[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1 11703222 OFVILOWPJLQHCM-SFHVURJKSA-N 360.479 3.575 0 40 FHAB COc1ccc(CN2CCC(c3noc(-c4ccncc4)n3)CC2)cc1 12328606 HUZDWIHVNCFQKK-UHFFFAOYSA-N 350.422 3.520 0 40 FHAB COc1ccc(CCNC(=O)/C=C/c2ccc3ccccc3n2)cc1OC 12488566 VGPYNXVNFLQCJE-ZRDIBKRKSA-N 362.429 3.624 0 40 FHAB CCN(CC)CCn1c(Cc2ccc(OC)c(OC)c2)nc2ccccc21 16958508 MOMSSMMOZKDJLQ-UHFFFAOYSA-N 367.493 3.986 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)C[C@H](C)n3nc(C)c(Cl)c3C)ccc21 19577571 FICUCOHCPSHLKV-NSHDSACASA-N 374.872 3.652 0 40 FHAB COCC(=O)NCC[C@@H]1CCCCN1Cc1cn(C(C)C)c2ccccc12 19745815 OPPHJULOMCORQW-IBGZPJMESA-N 371.525 3.729 0 40 FHAB CC[C@@H](C)Oc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1 150228683 XZLZJRROAMQAGL-FDIDITGRSA-N 350.443 3.634 0 40 FHAB CCC1(O)CCN(c2nc(NCc3ccccc3)c3ccccc3n2)CC1 663671372 ADBVLBZXZRPJSE-UHFFFAOYSA-N 362.477 3.983 0 40 FHAB COc1cccc(CN2CCC[C@H]3NC[C@H](c4ccc(F)cc4)[C@H]32)c1OC 19567911 FSZIQWBLPDUUKI-SFHLNBCPSA-N 370.468 3.563 0 40 FHAB Cc1nc(C(=O)N(Cc2ccccc2)C(C)C)nn1-c1ccc(F)cc1 22323454 LVGZAMSXQWKRIE-UHFFFAOYSA-N 352.413 3.766 0 40 FHAB COc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 14574434 URLGGXMVGPKHNH-UHFFFAOYSA-N 362.311 3.547 0 40 FHAB Cc1c(Cl)ccc(S(=O)(=O)Nc2cccc3cn[nH]c23)c1Cl 1427071 VUQSDLSDBVDBJZ-UHFFFAOYSA-N 356.234 3.979 0 40 FHAB COc1ccc(NC(=O)CSc2nccn2-c2ccc(OC)cc2)cc1 2468198 SHCHKRMWLMWURP-UHFFFAOYSA-N 369.446 3.620 0 40 FHAB Cc1cccc(C)c1NC(=O)CCCSc1nnnn1-c1ccccc1 2888993 NGFNWXGCWGFNQI-UHFFFAOYSA-N 367.478 3.790 0 40 FHAB CCC(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12 4354076 RVCUKZNZQTYQAH-UHFFFAOYSA-N 366.373 3.805 0 40 FHAB COCC(=O)N1CCCc2ccc(NC(=O)Nc3cccc(C)c3)cc21 22503037 CRSYLKMAZABPBI-UHFFFAOYSA-N 353.422 3.565 0 40 FHAB Cc1ccc(N2N=N[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]32)cc1F 101260350 RWZNEVVUQCHAAZ-JKSUJKDBSA-N 372.787 3.594 0 40 FHAB COc1ccccc1OCC(=O)NCc1cncc(-c2ccsc2)c1 206943788 ZQWNEVYQLNEFEV-UHFFFAOYSA-N 354.431 3.514 0 40 FHAB CCOC(=O)c1ccc(NC(=O)NCCCc2ccc(N(C)C)cc2)cc1 40072758 OHXUGJCKEFMMEQ-UHFFFAOYSA-N 369.465 3.684 0 40 FHAB CC(=O)c1cc2c(cc1NC(=O)COc1ccc(Cl)c(C)c1)OCO2 2661909 ZXOZFNVYTZASII-UHFFFAOYSA-N 361.781 3.597 0 40 FHAB CCOc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1OCC 32603673 DXUMSVQLQHFGMN-UHFFFAOYSA-N 355.843 3.938 0 40 FHAB Cc1c(C(=O)O[C@@H](C)c2ccccc2Cl)sc2ncn(C)c(=O)c12 32776438 UQJRGZJADNAWQF-JTQLQIEISA-N 362.838 3.875 0 40 FHAB O=C1O[C@@H](CC(=O)c2ccccc2)C(Br)=C1Oc1ccccc1 3169082 RUAWEDXDVNDMLN-HNNXBMFYSA-N 373.202 3.870 0 40 FHAB CCC(CC)C(=O)N1CCN(c2nc(C)nc3sc(C)c(C)c23)CC1 32829815 OWTQAQMHARBDTR-UHFFFAOYSA-N 360.527 3.701 0 40 FHAB COc1cc(OC)c(OC)cc1/C=C1/N=C(c2ccc(C)c(C)c2)OC1=O 6842221 MTLYLORPSMCLJS-CXUHLZMHSA-N 367.401 3.674 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2CC)C1 7310705 QDKKDRARSPGXKC-MRXNPFEDSA-N 352.434 3.639 0 40 FHAB CCOC(=O)[C@H]1CSCCN1C(=O)c1ccc(Oc2ccccc2)cc1 32902917 AEQJOSICZZYKSH-GOSISDBHSA-N 371.458 3.600 0 40 FHAB O=C(/C=C/c1ccc(Br)o1)NCc1ccc(-n2cccn2)cc1 32925609 WEUQUGIVHPXRGX-VQHVLOKHSA-N 372.222 3.557 0 40 FHAB CCOc1cc(/C=C2\N=C(S)N(CC(C)C)C2=O)ccc1OC(F)F 2791788 FXJSPFZXGVUIFA-GHXNOFRVSA-N 370.421 3.812 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 8040866 DGPFDWUZUPNWEN-MRXNPFEDSA-N 354.450 3.849 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1OC 8049717 BDIJDVWIWOIQIS-HUUCEWRRSA-N 370.449 3.630 0 40 FHAB Cc1cc(NC(=O)Cc2cn3ccsc3n2)ccc1Br 8281413 HWMIDASJSKSWQP-UHFFFAOYSA-N 350.241 3.648 0 40 FHAB Cc1cccc(C(=O)OCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 8313907 LCKDQKQRSCITFD-INIZCTEOSA-N 351.446 3.908 0 40 FHAB CC[C@H](CO)NCc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 8327031 VHJZYYOBJYEKHQ-MRXNPFEDSA-N 367.848 3.927 0 40 FHAB C[C@H](Sc1ccc2c(c1)OCCCO2)C(=O)Nc1ccc2c(c1)OCO2 8849988 SZQANQOBISINSJ-LBPRGKRZSA-N 373.430 3.696 0 40 FHAB COc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(C)c(C)c3)C2=O)cc1 703487 XWJQPWMBEXNPAL-UHFFFAOYSA-N 356.809 3.748 0 40 FHAB C[C@@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(-n2cncn2)cc1 22698967 CFBTYBDWRZKXQD-BMGYJQCNSA-N 352.825 3.811 0 40 FHAB CCOc1ccc(CNc2ncc(-c3ccc4c(c3)OCO4)n2C)cc1 819162 MWLYRRHUFMCUOB-UHFFFAOYSA-N 351.406 3.827 0 40 FHAB CC(C)n1nccc1NC(=O)CSc1ccccc1Br 23175792 YKCHGVPEQKZEKJ-UHFFFAOYSA-N 354.273 3.957 0 40 FHAB O=C(/C=C/c1cccc(Cl)c1)OCC(=O)N1CCCc2ccccc21 3250059 VUZBFTMUEVPNDD-ZHACJKMWSA-N 355.821 3.876 0 40 FHAB O=C(Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1)[C@@H]1CCCO1 24833279 CTVQQGLXVDZHCF-ZDUSSCGKSA-N 372.368 3.750 0 40 FHAB CC[C@@H](c1nnnn1C1CCCC1)N1CCN(c2cccc(C)c2C)CC1 57669543 MFBJMXPLOUBIIG-IBGZPJMESA-N 368.529 3.678 0 40 FHAB C[C@@H](OC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)C(=O)c1c[nH]c2ccccc12 25107631 WIMYRCCAQOKXBX-ZMZPIMSZSA-N 369.804 3.939 0 40 FHAB Cn1cc(NC(=O)c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2)cn1 25306863 UOFJQXPCQFVAGC-UHFFFAOYSA-N 372.787 3.717 0 40 FHAB COc1cc2c(cc1OC)CN(c1ncnc3c1oc1ccccc13)CC2 3287862 RVYVFMVMVQHZRX-UHFFFAOYSA-N 361.401 3.956 0 40 FHAB O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccccc2)oc1N1CCCC1 35475972 QSPBFNOEWVWODK-UHFFFAOYSA-N 372.421 3.914 0 40 FHAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CNC(=O)c1ccccc1 57559386 NLDNGWBLAYPMPH-WOJBJXKFSA-N 350.462 3.601 0 40 FHAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(C)c1 3369453 LQBGUSCYKVMYEY-UHFFFAOYSA-N 370.268 3.957 0 40 FHAB CC1CCC(N2C[C@H](C(=O)Nc3ccc(-c4cnco4)cc3)CC2=O)CC1 108965198 XJMQLDSZQDIHAT-BFHRDPOASA-N 367.449 3.707 0 40 FHAB CC(C)Oc1ncccc1CNC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 58014272 YGXXLNIDXNVBAW-UHFFFAOYSA-N 370.840 3.842 0 40 FHAB O=C(NCCc1ccco1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 10092601 WNGWDEXFQRIAJR-FQEVSTJZSA-N 361.397 3.706 0 40 FHAB C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N(C)Cc1ccccc1Cl 10141489 VGMYPZHNBKKJAL-QGZVFWFLSA-N 371.912 3.509 0 40 FHAB COC(=O)c1ccccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 64580981 UGDPTOONHXCMEV-UHFFFAOYSA-N 355.781 3.565 0 40 FHAB O=C(Cc1ccc(Cl)cc1Cl)Nc1ccn(Cc2ccccn2)n1 58156953 QSCBWVJORHUOMJ-UHFFFAOYSA-N 361.232 3.814 0 40 FHAB CC(=O)N1CCC[C@@H](C(=O)N2CC=C(c3cccc4ccccc34)CC2)C1 58209741 KFGPDCQBUUNVKR-HXUWFJFHSA-N 362.473 3.714 0 40 FHAB Cc1sc2nc(CN3CCCC3)nc(NCCc3ccccn3)c2c1C 28939881 SGNJCBKGYNNSTA-UHFFFAOYSA-N 367.522 3.954 0 40 FHAB C[C@H]1CCCC[C@@H]1OCCNC(=O)Nc1cccc(Cn2ccnc2)c1 48288453 KUDOUDWBAPPHCE-LPHOPBHVSA-N 356.470 3.648 0 40 FHAB CC1=C(C(=O)Nc2cc(C)on2)[C@H](c2ccccc2Cl)N(C)C(=O)N1C 10353542 HPQAOEJXSVEWTJ-INIZCTEOSA-N 374.828 3.587 0 40 FHAB Cn1c(S[C@H]2CCc3ccccc3NC2=O)nnc1-c1cccs1 20729043 MIOQHAZZSHHBHP-AWEZNQCLSA-N 356.476 3.589 0 40 FHAB COC(=O)c1ccc(OCC(=O)c2ccc(C)cc2)c(Br)c1 12760360 JOKTYKAYDWNMTF-UHFFFAOYSA-N 363.207 3.806 0 40 FHAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)c1cccc(OC)c1 2314607 OORGHLHHCAVTDG-UHFFFAOYSA-N 356.353 3.745 0 40 FHAB C[C@H]1CN(Cc2ccccc2CNC(=O)CCc2ccccc2)C[C@H](C)O1 48358538 PBKPTYQQBBPMDP-OALUTQOASA-N 366.505 3.545 0 40 FHAB CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 12859382 NEVMJCIJUHYORL-UHFFFAOYSA-N 356.397 3.749 0 40 FHAB CCCCCOc1cc(S(=O)(=O)NC(C)C)ccc1Br 11614128 XYPNFEUDJBDVDK-UHFFFAOYSA-N 364.305 3.705 0 40 FHAB CCNC(=O)COc1ccc(C(=O)N[C@@H](C)c2ccc(C(C)C)cc2)cc1 12853589 LNVITPCOOIVZOC-INIZCTEOSA-N 368.477 3.816 0 40 FHAB Cc1cccc(NC(=O)COC(=O)c2c(-c3ccccc3)noc2C)c1 3497371 ZLRFWZHGTGOUDE-UHFFFAOYSA-N 350.374 3.754 0 40 FHAB CC(C)c1c(C(=O)Nc2ccc(N(C)C)nc2)cnn1-c1ccc(F)cc1 12989741 FYALKLNOKPYCIZ-UHFFFAOYSA-N 367.428 3.848 0 40 FHAB Cc1c(C(=O)N2CCC[C@H]2CN2C[C@H](C)O[C@H](C)C2)oc2ccc(F)cc12 69950634 WVINQSZSEABRHI-VBQJREDUSA-N 374.456 3.594 0 40 FHAB CCOc1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)CCC3)O[C@H](C)C2 17520639 IHZUKFPFGZYMPT-CYBMUJFWSA-N 373.474 3.698 0 40 FHAB CCc1nc2cc3c(cc2n1CC(=O)Nc1cccc(C)c1C)OCCO3 64795121 NSMSJAPNHVHFCU-UHFFFAOYSA-N 365.433 3.625 0 40 FHAB COc1cc2c(cc1OC)[C@@H](NC(=O)Cc1c[nH]c3ccccc13)CC2 49719641 UVRVVMUXFXPHOS-SFHVURJKSA-N 350.418 3.531 0 40 FHAB biogenic CC1CCC(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 8778468 ACTXDPUPKJYRQA-UHFFFAOYSA-N 362.901 3.887 0 40 FHAB COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1F 14095881 JVUNYPINJJKUSK-SNVBAGLBSA-N 370.346 3.711 0 40 FHAB Cc1ccc([C@@H](NCc2nnnn2-c2ccccc2)c2ccccc2)cc1 14095374 GKHJLTFIQHECBK-QFIPXVFZSA-N 355.445 3.850 0 40 FHAB Cc1sc2ncnc(SCc3nnnn3-c3ccccc3)c2c1C 14116219 XJRCCJGUCBKCAX-UHFFFAOYSA-N 354.464 3.576 0 40 FHAB CCCCCC1=NN(C(=O)c2cccc(C)c2O)[C@](O)(C(F)(F)F)C1 4575567 JZXSUBNAJWQEOQ-MRXNPFEDSA-N 358.360 3.734 0 40 FHAB CCNC(=O)c1cccc(NC(=O)c2oc3ccc(OC)cc3c2C)c1 14227417 MFVGNECDYBCYOJ-UHFFFAOYSA-N 352.390 3.752 0 40 FHAB COC(=O)c1cccc(COC(=O)c2nc(-c3ccccc3)oc2C)c1 5539542 BQMZEMXLFGYGKF-UHFFFAOYSA-N 351.358 3.794 0 40 FHAB COc1ccc(OC)c(/C=C2/SC(=N)N(c3ccccc3F)C2=O)c1 6641978 MYLOEINRSCNVCI-MSWOZKQMSA-N 358.394 3.899 0 40 FHAB Cc1cc(OCC(=O)Nc2ccc(F)cc2F)c2c(C)cc(=O)oc2c1 6660724 UESQENGZMWVLFJ-UHFFFAOYSA-N 359.328 3.706 0 40 FHAB CCOc1ccc(S(=O)(=O)n2cc(C)nc2-c2ccccc2)cc1C 4744781 XDHIDYPVIVGKMB-UHFFFAOYSA-N 356.447 3.803 0 40 FHAB O=C(NCCc1ccccc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 28221018 JYQFBHCQLHCHJR-LJQANCHMSA-N 356.897 3.911 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)c1nc(Cl)ccc1Cl 14793596 HHLPYODQZTVFAH-UHFFFAOYSA-N 354.193 3.608 0 40 FHAB COc1ccc(NC(=O)c2nnn(-c3cccc(C)c3)c2C)cc1Cl 6816066 JSXNBRXEPIZLIY-UHFFFAOYSA-N 356.813 3.798 0 40 FHAB O=C(CSc1ncn[nH]1)N1c2ccccc2SC[C@H]1c1ccccc1 6988895 DZJNPGOZPGCCJY-HNNXBMFYSA-N 368.487 3.777 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 408709117 XUSXVRJFSITMIC-DVOMOZLQSA-N 368.399 3.753 0 40 FHAB COC(=O)c1cccc(CSCC(=O)N2c3ccccc3C[C@H]2C)c1 7208380 DYEIKXQNCBVUPK-CQSZACIVSA-N 355.459 3.684 0 40 FHAB Cc1nc(OCC(=O)N(Cc2ccccc2F)C2CC2)c2ccccc2n1 28616804 VPNIMQVPFJVGCB-UHFFFAOYSA-N 365.408 3.647 0 40 FHAB O=C(CCCOc1ccccc1)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2 19819486 ORIHXHYVJSQYHY-UHFFFAOYSA-N 364.445 3.783 0 40 FHAB COc1ccc(C(=O)N(Cc2ccccn2)C2CC2)c(Br)c1 71796097 BAXGSYFQTYKHOG-UHFFFAOYSA-N 361.239 3.658 0 40 FHAB CC(C)[C@@H](N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 78710477 BELOGTHDXCETKJ-OXQOHEQNSA-N 360.523 3.985 0 40 FHAB C[C@@H]1CCN(CC2=NS(=O)(=O)c3ccccc3N2)c2ccccc2S1 84700106 IUWCDSRVJKPMCM-CYBMUJFWSA-N 373.503 3.590 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)[C@H]1CCN(c2ccccc2)C1=O 95962685 KKKBWSMTZSGRDH-QFIPXVFZSA-N 374.488 3.726 0 40 FHAB CC(C)(C)n1cc(CN2CCN(c3ncc(Cl)cc3Cl)CC2)cn1 95982482 SQFJDWKQEQRORE-UHFFFAOYSA-N 368.312 3.662 0 40 FHAB CC1(C2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)OCCO1 79108930 DCDKUFLQCBCRKK-UHFFFAOYSA-N 358.360 3.712 0 40 FHAB COC(=O)CC1CCN(C(=O)c2sc(-c3ccccc3)nc2C)CC1 79491615 GDQLVWQNNACGFX-UHFFFAOYSA-N 358.463 3.534 0 40 FHAB CC(C)C[C@H](C)OCCC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 75110783 MZPLXRAUZGSASN-MAUKXSAKSA-N 362.470 3.584 0 40 FHAB Cc1ccc(-c2nnc(CN(C)C(=O)COc3ccc(Cl)cc3)o2)cc1 408714129 JHDJPZHMEXLMSQ-UHFFFAOYSA-N 371.824 3.736 0 40 FHAB OC[C@@]1(c2ccccc2)CCCN(c2ccnc(Cc3ccccc3)n2)C1 509511157 ZZOAHWKZWBGZMT-HSZRJFAPSA-N 359.473 3.598 0 40 FHAB CC(C)(C)OC(=O)c1ccc(C(=O)NCc2c(F)cccc2Cl)nc1 1533167088 INZWVKWOFPFTII-UHFFFAOYSA-N 364.804 3.759 0 40 FHAB O=C1C[C@H](c2cccc(NC(=O)[C@H]3CCCC[C@H]3C(F)(F)F)c2)CN1 532939725 ZCJGPSTYVFUQDR-AEGPPILISA-N 354.372 3.597 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219499205 LOFVAYOWDMGKIY-ZBFHGGJFSA-N 355.434 3.881 0 40 FHAB O=C(NC1CCCCCCC1)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 79475610 BUDWIWDOMNJARJ-CQSZACIVSA-N 350.894 3.576 0 40 FHAB CCOc1cc(C(=S)N2CCOCC2)ccc1OCc1ccc(C)cc1 36612298 DZOODSJHWWDOHO-UHFFFAOYSA-N 371.502 3.980 0 40 FHAB COC(=O)c1cccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1 38753046 MQMMKZGJTVDXMR-INIZCTEOSA-N 366.461 3.957 0 40 FHAB CCOc1ccc(C(=O)N2CCCC2)cc1COc1cccc(OC)c1 224590918 HKAXVKJLFSEGFE-UHFFFAOYSA-N 355.434 3.909 0 40 FHAB Cc1cccc(OCCNC(=O)Cc2cccc(Br)c2)c1C 223973654 UDAOGGPFEMXGKU-UHFFFAOYSA-N 362.267 3.804 0 40 FHAB O=C(Cc1ccccc1F)Nc1ccccc1C(=O)NCc1ccccc1 225445499 BQUUSIGPRFUDJV-UHFFFAOYSA-N 362.404 3.937 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSc1ccccc1 224632107 SNNTWBRUVWWECF-KRWDZBQOSA-N 370.518 3.722 0 40 FHAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 225214784 FBEFXBHIKFWUBK-KRWDZBQOSA-N 370.518 3.641 0 40 FHAB CC[C@@H](NC(=S)Nc1ccccc1F)c1ccc(S(C)(=O)=O)cc1 225723204 MNTBOAMWKPFQKY-OAHLLOKOSA-N 366.483 3.667 0 40 FHAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccccc1 224596825 NDEFYJFUNQQJRM-NRFANRHFSA-N 366.505 3.605 0 40 FHAB COCc1cccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)c1 224551922 DCVKVCZWTATEMF-UHFFFAOYSA-N 356.441 3.823 0 40 FHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 225715801 HVRJKNJANLYFSO-NRFANRHFSA-N 366.505 3.870 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(Cn3ccnc3)cc2)c1 44911941 IRBVSNLJAOZEJR-UHFFFAOYSA-N 363.417 3.669 0 40 FHAB FC(F)(F)c1ccccc1Nc1ncnc2c1cnn2C1CCNCC1 230481264 KJYUGAFEJQBXGO-UHFFFAOYSA-N 362.359 3.513 0 40 FHAB CC(=O)Nc1cccc2c1ccn2CC(=O)N[C@@H](C)CCc1ccccc1 96114924 QXTJPCLSHLJRDE-INIZCTEOSA-N 363.461 3.737 0 40 FHAB biogenic CCc1ccccc1N(CC(=O)Nc1ccccc1C(C)C)S(C)(=O)=O 243546720 OHYRZOWYXQKLPQ-UHFFFAOYSA-N 374.506 3.777 0 40 FHAB Cc1cc2nc([C@H]3CCCN(CC[C@H](C)c4ccccc4)C3)cc(N)n2n1 248340335 UVGASQWPSILMPX-LPHOPBHVSA-N 363.509 3.993 0 40 FHAB C[C@]1(c2ncc(Cc3ccccc3)o2)CCCN(C(=O)c2ccncc2)C1 257260644 LDSUIWNRPJOKNW-QFIPXVFZSA-N 361.445 3.854 0 40 FHAB Cc1nn(-c2ncc(NC(=O)c3ccc(F)cc3Cl)cn2)c(C)c1C 85470402 FQFIMNLQUGLDFZ-UHFFFAOYSA-N 359.792 3.632 0 40 FHAB COC(=O)[C@@H]1CCc2nnc(-c3sc(-c4ccccc4)nc3C)n2CC1 601044948 UDMKYELPCZMZHT-CQSZACIVSA-N 368.462 3.503 0 40 FHAB CC(C)(C)C(=O)N1CCC(C(=O)N2C[C@H]3CC[C@H]2c2ccccc23)CC1 606443509 NYWYEHRDAILGEU-APWZRJJASA-N 354.494 3.732 0 40 FHAB O=C(Nc1cccc(C(F)(F)F)c1)N1CC[C@@H](Oc2ccncc2)C1 127111286 XWJICRVDTUGLQO-OAHLLOKOSA-N 351.328 3.786 0 40 FHAB Cc1cccc(O[C@@H]2CCC[C@H](N(C)CCOc3ccccc3)[C@H]2O)c1 585288643 GHFXBJCPIKRWFK-BHDDXSALSA-N 355.478 3.667 0 40 FHAB NC(=O)c1cccc(NC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)c1 43715908 VZDIDEWVPOAYNR-OAQYLSRUSA-N 371.440 3.965 0 40 FHAB CCOc1cc(C=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 5872452 TVJMOINOZFDZIT-UHFFFAOYSA-N 367.323 3.934 0 40 FHAB CCCc1ncc(CN2[C@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)cn1 12242180 FINSJTIXVISNCP-PMSBKCLSSA-N 355.457 3.583 0 40 FHAB COc1ccc(CN2Cc3ccccc3O[C@H](CN(C)C)C2)c(C)c1C 12407693 HDLGSJIMOLOHNW-HXUWFJFHSA-N 354.494 3.637 0 40 FHAB Cc1ccccc1C(=O)NCC(=O)OCCOc1ccc(C(C)C)c(C)c1 12872553 TZKKBQHBQSDRFH-UHFFFAOYSA-N 369.461 3.779 0 40 FHAB Cc1cc(OCC(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)ccc1Cl 13126062 YCFQJZQTQOQBPP-DXCKQFNASA-N 367.873 3.511 0 40 FHAB COC(=O)c1cc2nc(C(C)C)n(Cc3ccccc3)c2cc1C(=O)OC 13281598 DKEOSNRXBIJVTI-UHFFFAOYSA-N 366.417 3.781 0 40 FHAB CCOc1ccccc1CCCNS(=O)(=O)Cc1ccc(Cl)cc1 13672880 VVRZYIRUOQLVRI-UHFFFAOYSA-N 367.898 3.791 0 40 FHAB C[C@H](NC(=O)COc1cccc2ccccc12)c1ccc2c(c1)OCCO2 14217165 BRCCXUVHKKCODS-HNNXBMFYSA-N 363.413 3.867 0 40 FHAB C[C@H](Oc1ccccc1F)C(=O)N1CCC(c2cc3ncccc3[nH]2)CC1 19077985 QTKMLAFOKLBDOA-AWEZNQCLSA-N 367.424 3.876 0 40 FHAB CCc1noc(CC)c1C(=O)N1CCC(COc2ccc(OC)cc2)CC1 19521309 YSYAGVNVWGJKFZ-UHFFFAOYSA-N 372.465 3.739 0 40 FHAB Cn1nccc1CN1CCC[C@@H](c2ccc(Cc3ccc(F)cc3)cn2)C1 19690300 DXGFALVDJLHHTH-LJQANCHMSA-N 364.468 3.925 0 40 FHAB Cc1cc(C)n([C@@H](C)C(=O)Nc2cccc(CN3CCC(C)CC3)c2)n1 19716904 LEBRIFQGDKUGRI-SFHVURJKSA-N 354.498 3.932 0 40 FHAB Cc1ccc(CNC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1F 12488647 XOEKBFZGJMQSEG-UHFFFAOYSA-N 357.360 3.572 0 40 FHAB Cc1cc(N(C)C2CCN(C(=O)Nc3cccc(Cl)c3)CC2)ncn1 1888870129 COSOMIAAVDYXEH-UHFFFAOYSA-N 359.861 3.571 0 40 FHAB Cc1ccc(-n2nnc3c(=O)n(-c4cc(Cl)ccc4C)cnc32)cc1C 1889091437 AGHAUXXPBAWLMA-UHFFFAOYSA-N 365.824 3.545 0 40 FHAB Cc1cc(C)nc(SCC(=O)Nc2ccc(OC(F)(F)Cl)cc2)n1 1064561 MNXAPCWQMQECRC-UHFFFAOYSA-N 373.812 3.992 0 40 FHAB O=C(c1ccc2c(c1)OCO2)N1CCN=C1SCc1ccc(Cl)cc1 4120067 QHVLBWVYEXTAFF-UHFFFAOYSA-N 374.849 3.814 0 40 FHAB Cc1ccc(-c2noc(-c3nnn(-c4cccc(Cl)c4)c3N)n2)cc1 6868164 HOPLKBDBMGFVJN-UHFFFAOYSA-N 352.785 3.528 0 40 FHAB O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccc2c(c1)OCO2 15081908 QSEYRURUILZJRR-UHFFFAOYSA-N 371.780 3.690 0 40 FHAB COc1ccccc1CCNC(=O)Cc1csc(Nc2ccccc2)n1 16850017 QCVGZDCHZRSKAS-UHFFFAOYSA-N 367.474 3.797 0 40 FHAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1NC1CCCCCC1 17297369 VSTUSQMBHINCDK-UHFFFAOYSA-N 355.438 3.544 0 40 FHAB COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc(Oc2ccccc2)c1 8843537 VHDXTPXCYBEGOJ-SFHVURJKSA-N 362.389 3.532 0 40 FHAB CCCC(=O)Nc1ccc(OCC(=O)O)c(-c2nc3ccccc3o2)c1 20157721 OOZYQVMPGBCAIQ-UHFFFAOYSA-N 354.362 3.697 0 40 FHAB CC(C)c1nc(CN2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)cs1 40120367 AQTJPGNNDVREHV-LJQANCHMSA-N 369.534 3.816 0 40 FHAB O=C(Cn1ccc2cc(OCc3ccccc3)ccc21)Nc1nncs1 40286795 ZBGQXIODUUYREM-UHFFFAOYSA-N 364.430 3.711 0 40 FHAB COc1cccc(N2C(=O)[C@@H]3CS[C@H](c4ccc(C)cc4)N3C2=S)c1 20607394 NJXPKUGEQJIGBL-FUHWJXTLSA-N 370.499 3.751 0 40 FHAB O=S(=O)(NCc1cccnc1Oc1cccc(F)c1)c1cccs1 32437747 NMQQKCQZEQEUGI-UHFFFAOYSA-N 364.423 3.553 0 40 FHAB Cc1ccsc1C(=O)OCC(=O)c1cc(C)n(C[C@H]2CCCO2)c1C 2658570 UODDFWFUXUXYDW-OAHLLOKOSA-N 361.463 3.694 0 40 FHAB CNC(=S)N(Cc1cccs1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 884624 QWPATSIZWLBMMP-UHFFFAOYSA-N 371.531 3.713 0 40 FHAB O=C(NCc1ccc(Cl)cc1)c1ccccc1I 1045975 CESBURIBLWJZPC-UHFFFAOYSA-N 371.605 3.875 0 40 FHAB COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 1379473 QTKUAGMMWLTPSM-QGZVFWFLSA-N 373.840 3.984 0 40 FHAB COc1ccc(C(=S)N2CCN(c3cccc(C)c3)CC2)cc1OC 1730973 CKONIXRQPXPCTM-UHFFFAOYSA-N 356.491 3.510 0 40 FHAB C[C@H](CCc1ccco1)N(C)C(=O)c1ccn(COc2ccc(F)cc2)n1 2728183 AACLRJSOAXLHCP-OAHLLOKOSA-N 371.412 3.745 0 40 FHAB O=C(COC(=O)Cc1cccc2ccccc12)NCc1ccc(Cl)cc1 3271054 AEEURBBNDVXULO-UHFFFAOYSA-N 367.832 3.895 0 40 FHAB Cc1cc(NC(=O)COC(=O)Cc2cccs2)ccc1Br 6121465 LLHWSCSOPXCKBD-UHFFFAOYSA-N 368.252 3.543 0 40 FHAB O=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(Cl)c1 7052133 SJDOSCMKRBQJBW-UHFFFAOYSA-N 360.218 3.565 0 40 FHAB O=C(Nc1nccs1)c1ccc(OCc2cn3ccccc3n2)cc1 7318778 YFCLLJQHNCKFCZ-UHFFFAOYSA-N 350.403 3.622 0 40 FHAB CC1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)CC1 7882509 LUCLBINEMKOXNK-IIIMJFFVSA-N 350.462 3.888 0 40 FHAB O=C1NCCN1c1ccc(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)cc1 46799946 AXWQOFCSXRNLJR-SFHVURJKSA-N 369.852 3.847 0 40 FHAB CCCc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)c3ccccn3)c12 46740256 NQSCVQBIGNKCEE-LBPRGKRZSA-N 350.422 3.939 0 40 FHAB FC(F)(F)c1cc(C2CC2)n(CCc2nc3c4ccccc4ncn3n2)n1 2806509 NHEIPMDJJRLLJK-UHFFFAOYSA-N 372.354 3.613 0 40 FHAB CCc1sc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cc1C 32930475 MXLNZVZWKGPASU-GJZGRUSLSA-N 373.522 3.558 0 40 FHAB CCc1cccc(CC)c1NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 10314171 JDLJKICLELGBNA-UHFFFAOYSA-N 360.479 3.744 0 40 FHAB CCOc1cccc(/C=C2/NC(=S)N(c3cccc(C)c3C)C2=O)c1O 104991203 VMYVJUUBAOSABV-RVDMUPIBSA-N 368.458 3.670 0 40 FHAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2cccc(Cl)c2)CC1=O 8287291 WMXUVUDIQGAZAL-ZDUSSCGKSA-N 358.825 3.730 0 40 FHAB CCc1n[nH]c(=S)n1NCc1ccc(OCc2ccccc2)c(OC)c1 8339148 WAYXSSNEVWXGKK-UHFFFAOYSA-N 370.478 3.834 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCSc3ccccc32)c1C 21899213 VLSWDHOAAZLNGC-AWEZNQCLSA-N 358.463 3.775 0 40 FHAB CCN(CC)CCOc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1 47206751 NSVKBNHXOLCSKB-HXUWFJFHSA-N 368.477 3.661 0 40 FHAB Cc1ccc(-c2nc(Cn3c(NC[C@H](C)O)nc4ccccc43)cs2)o1 47369983 BDNYIVXQETVKPT-LBPRGKRZSA-N 368.462 3.902 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cc(-c3cc(C)cc(C)c3O)n[nH]2)c1 12475306 FMQHGDHKWBHKLE-UHFFFAOYSA-N 367.405 3.669 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)CN(C)[C@H](C)c2cccs2)c1 53429443 NRNDIIDAOMAEFD-UONOGXRCSA-N 362.495 3.636 0 40 FHAB COc1ccc(/C=C/C(=O)NCc2ccccc2Cl)c(OC)c1OC 9973451 RTASBWNHUPVHEL-PKNBQFBNSA-N 361.825 3.695 0 40 FHAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccncc2)n1C 711813 ZSTNVDPHUXIVTG-UHFFFAOYSA-N 373.869 3.570 0 40 FHAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccccc1-n1ccnc1C 20111243 IUPSXUZNNZXSMX-HXUWFJFHSA-N 363.461 3.963 0 40 FHAB O=C1C[C@H](c2ccc(Cl)cc2)Cc2nc3nc(C(F)(F)F)nn3cc21 20632513 IFFWAUTYQAQVBU-SECBINFHSA-N 366.730 3.709 0 40 FHAB O=C(O)[C@H]1[C@@H]2C=C[C@@H]([C@H]3C[C@H]23)[C@@H]1C(=O)Nc1cccc(Cl)c1Cl 102093084 PYCJIFWLYSFSQI-FZXFYOPVSA-N 352.217 3.701 0 40 FHAB Cc1cnn(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1 54869280 JMSLWZDYTWOHNF-UHFFFAOYSA-N 366.387 3.839 0 40 FHAB COc1ccc(C(=O)Nc2cnn(Cc3ccc(C)cc3)c2)c(OC)c1 27919995 UIRHGZBMUZWKIM-UHFFFAOYSA-N 351.406 3.509 0 40 FHAB CCn1c(CN2[C@@H]3CC[C@@H]2c2cnc4cc(C)nn4c2C3)nc2ccccc21 100141054 FCHZCNIJDSDRJY-CRAIPNDOSA-N 372.476 3.669 0 40 FHAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)[C@H]2CC(c3cccc(F)c3)=NO2)o1 106571481 QBHLZNGYDNHCNO-RNRVQEDPSA-N 356.397 3.694 0 40 FHAB O=C(c1cc2c(s1)CCCC2)N1CCC[C@@H](c2nnc3ccccn23)C1 25050049 PPSFCSRAKYDXIQ-OAHLLOKOSA-N 366.490 3.689 0 40 FHAB CN(C)Cc1cccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)c1 57207765 GFPROLGPFFWPRA-UHFFFAOYSA-N 356.441 3.574 0 40 FHAB Cc1cccc(OCCC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1 3351186 YKPVJEFRIBUFFX-IBGZPJMESA-N 356.466 3.700 0 40 FHAB CC(=O)c1cccc(NC(=O)COc2ccc(F)cc2Br)c1 3371742 TVCSXUIPQQCNOV-UHFFFAOYSA-N 366.186 3.808 0 40 FHAB O=C1NC(=O)c2c(NC(=O)c3sc4cc(F)ccc4c3Cl)cccc21 3315517 ORSINJZWYIOTKM-UHFFFAOYSA-N 374.780 3.830 0 40 FHAB CC(C)N1CCC(NC(=O)COc2ccc(Oc3ccccc3)cc2)CC1 12757514 ZBEATSAYMDICKF-UHFFFAOYSA-N 368.477 3.847 0 40 FHAB O=C(CNC(=O)c1ccoc1)N[C@H](c1ccc(Cl)cc1)c1ccsc1 58179103 PKOKMAKTEZKBCQ-QGZVFWFLSA-N 374.849 3.630 0 40 FHAB CCO[C@@H](C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl)c1ccccc1 58166486 BWOULKZNOHCSGQ-QGZVFWFLSA-N 360.841 3.758 0 40 FHAB CCOC(=O)c1cc2cc(NC(=O)NCc3cccnc3)ccc2s1 58214782 DKWOXWVBHLGRST-UHFFFAOYSA-N 355.419 3.795 0 40 FHAB COc1cc(-c2nn3c(-c4ccccc4)nnc3s2)cc(OC)c1OC 2182900 DTZSEUSDTQANJX-UHFFFAOYSA-N 368.418 3.546 0 40 FHAB Cc1nc(C2CC2)nc2sc(C(=O)NC3CCN(C(C)C)CC3)c(C)c12 12755686 ISAZWYWOLHYFJL-UHFFFAOYSA-N 372.538 3.788 0 40 FHAB COc1ccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c(OC)c1 12987818 MUQMUACRIMLJRJ-IBGZPJMESA-N 366.417 3.607 0 40 FHAB COc1ccccc1NC(=O)CCCNC(=O)C12CC3CC(CC(C3)C1)C2 12988203 CMMGSDQVTLLCPQ-UHFFFAOYSA-N 370.493 3.747 0 40 FHAB O=C(Nc1cccc(NC(=O)c2ccco2)c1)Nc1nnc(C2CC2)s1 69705314 MVWCWTTZCRXKCQ-UHFFFAOYSA-N 369.406 3.905 0 40 FHAB Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)N3CCc4ccccc43)n2)cc1 5211025 FWJROBQUZBLHEL-AWEZNQCLSA-N 364.474 3.850 0 40 FHAB CCn1c(SCC(=O)NC(=O)Nc2ccccc2F)nc2ccccc21 5269749 SVXXMHUHDZAUDL-UHFFFAOYSA-N 372.425 3.636 0 40 FHAB O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1cccc(Br)c1 6314653 YAAAIMYDUVCJMZ-UHFFFAOYSA-N 370.312 3.696 0 40 FHAB COc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)n3ncnc3N2C(C)=O)cc1 4816617 PIONEWNMTBYKTG-MOPGFXCFSA-N 366.396 3.513 0 40 FHAB CC(C)C[C@@H](C(=O)N1CCc2ccccc2C1)N1Cc2ccccc2C1=O 6873627 SXQLZSRMMSDCEL-NRFANRHFSA-N 362.473 3.642 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)[nH]1 8919030 XURXASLCQXLDOG-ZDUSSCGKSA-N 353.447 3.659 0 40 FHAB Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)NCc2n[nH]c(=S)n2C(C)C)cc1 80173333 JZRITJPXJBHEEZ-RDJZCZTQSA-N 374.510 3.614 0 40 FHAB Cc1cc([C@@H](C)NC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)c(C)o1 67726485 BPACFSQKWKUOFN-CQSZACIVSA-N 370.449 3.968 0 40 FHAB O=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@H]1c1ccccc1Cl 80408592 BSHUBOHONAOJDG-KRWDZBQOSA-N 352.825 3.898 0 40 FHAB Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CCC(Nc3cccnc3)CC2)c1 80497878 FDQDSQJUXWTYKS-GOSISDBHSA-N 366.509 3.916 0 40 FHAB CCc1ccc2oc(C(=O)Nc3ccc4nsnc4c3)cc(=O)c2c1 15841382 YLEREXBFSCATSA-UHFFFAOYSA-N 351.387 3.612 0 40 FHAB CN(C)C(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 7595547 JCQWNGRFLIUSPI-UHFFFAOYSA-N 360.841 3.838 0 40 FHAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCc1cccnc1 7737351 QABYNGJMRIYXDH-UHFFFAOYSA-N 354.841 3.527 0 40 FHAB CO[C@H](C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C)c1ccccc1 68513887 IIMFBVGBBCLYCN-FQEVSTJZSA-N 366.461 3.994 0 40 FHAB C[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1cccc(N2CCCC2=O)c1 68661465 JBMFEHYYSNLAHI-CYBMUJFWSA-N 365.408 3.925 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)CN[C@H](c1ccccc1)C(C)C 8003549 MKZKBMOXONEBFG-NRFANRHFSA-N 369.465 3.579 0 40 FHAB CCOC(=O)c1cnc(SCc2ccc(C(F)(F)F)cc2)nc1N 16665529 HGMRDGKTKWKLII-UHFFFAOYSA-N 357.357 3.547 0 40 FHAB C[C@H]1C[C@H](Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)C(=O)O1 8132379 QUWFNVSOTIDELG-BONVTDFDSA-N 354.435 3.557 0 40 FHAB COc1ccc([C@H](CNC(=O)c2ccc(C)cc2)N2CCCCC2)cc1 16753970 UVLVEMLMPHAPMU-NRFANRHFSA-N 352.478 3.961 0 40 FHAB biogenic COc1ccc(S(=O)(=O)Oc2cccc(C(C)C)c2)cc1NC(C)=O 9532027 AXWANLNDZZJOKC-UHFFFAOYSA-N 363.435 3.545 0 40 FHAB CO[C@@H]1CCCC[C@H]1OC(=O)Cn1c(SC(F)F)nc2ccccc21 83897718 OFLGPERNENDQPK-ZIAGYGMSSA-N 370.421 3.852 0 40 FHAB CO[C@@H](C(=O)Nc1cccc(CN2CCSCC2)c1)c1ccccc1 72048887 MHIRWXNEVKPKMP-LJQANCHMSA-N 356.491 3.562 0 40 FHAB Cc1cccc(CC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)c1 72331184 BRIUWMIOKGCFNM-UHFFFAOYSA-N 351.324 3.738 0 40 FHAB COc1ccc(-c2noc(CC3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 98211008 JRUGZVPJZCERFF-UHFFFAOYSA-N 373.453 3.935 0 40 FHAB Cc1nc(-c2ccco2)nc2sc(C(=O)Nc3cnn(C)c3)c(C)c12 25308392 SLBYFJGKRHICDO-UHFFFAOYSA-N 353.407 3.554 0 40 FHAB Cc1sc2ncc(C(=O)N[C@H](C)c3ccc(Cl)cc3)c(=O)n2c1C 179565369 PIAQMNIFWIRAGM-SECBINFHSA-N 361.854 3.517 0 40 FHAB O=C(NCc1coc2ccccc12)N1CCO[C@@H](CCc2ccccc2)C1 516346506 BJVFBBHOFSMYHT-IBGZPJMESA-N 364.445 3.976 0 40 FHAB CCCCC[C@H](O)CC[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 3870600 DPOINJQWXDTOSF-MJQMVNBJSA-N 356.503 3.699 0 40 FHAB biogenic CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1 408561671 UYXRJZICYTWZPV-UHFFFAOYSA-N 366.464 3.778 0 40 FHAB Cc1nc(Nc2nccs2)cc([C@@H]2CCCN2Cc2cccnc2)n1 72360207 OJMQCZITZOTSLT-INIZCTEOSA-N 352.467 3.717 0 40 FHAB COc1cccc(CNC(=O)c2cc(OC)c3cc(F)cc(C)c3n2)c1 71768908 ZCZDCMZNTCQROD-UHFFFAOYSA-N 354.381 3.630 0 40 FHAB COc1ccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1OC 38834981 JPVZYBNYRMOWNZ-UHFFFAOYSA-N 351.406 3.509 0 40 FHAB Cc1cc(C[C@@H]2COC[C@H]2N(Cc2ccncc2)Cc2cccs2)on1 72395062 PHVCCKKMEJPVCX-YLJYHZDGSA-N 369.490 3.699 0 40 FHAB O=C(CSCc1ccc(Cl)cc1)NCCOc1ccc(F)cc1 30526414 PXDHVQPHMQBCCT-UHFFFAOYSA-N 353.846 3.908 0 40 FHAB CCc1nccn1-c1cncc([C@H]2CCCN2Cc2ccc(F)cc2)n1 72378652 KYHPDROFQFDTAP-GOSISDBHSA-N 351.429 3.701 0 40 FHAB CCc1c(C)sc2nc(NCCOC)n3nc(-c4ccco4)nc3c12 32089895 JDDRUIYXCMCWLD-UHFFFAOYSA-N 357.439 3.528 0 40 FHAB COC(=O)c1ccc(C(=O)N(CCc2ccccc2)Cc2ccccn2)cc1 62017901 NHBNPOQLIRSYBY-UHFFFAOYSA-N 374.440 3.753 0 40 FHAB Cc1ccnc(NS(=O)(=O)c2cc(C)c(Br)cc2C)c1 36638861 CSGZUULODDBSMJ-UHFFFAOYSA-N 355.257 3.570 0 40 FHAB CC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)CCC2 72372945 OIANMIKRQSNEFF-LJQANCHMSA-N 356.514 3.801 0 40 FHAB CCOc1ccc(CNC(=O)Cc2ccc(OC)c(C)c2)cc1OCC 225841391 PFSOVLRUQMBRLQ-UHFFFAOYSA-N 357.450 3.660 0 40 FHAB CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@H](C)c2ccc(C)cc2C)cc1 44946742 LZSMAINYCFHNAA-MRXNPFEDSA-N 374.506 3.580 0 40 FHAB Clc1ccc(Nc2ncnc3c2cnn3C2CCNCC2)cc1Cl 228935740 ZFRWPAXEWHWZEL-UHFFFAOYSA-N 363.252 3.801 0 40 FHAB CC[C@H](C(=O)Nc1cc(C)cc(C)c1)N(c1cccc(C)c1)S(C)(=O)=O 220494075 DAMBEIOZBMZDFZ-LJQANCHMSA-N 374.506 3.795 0 40 FHAB COc1ccc(S(=O)(=O)N(C)c2cccc(C)c2)cc1Br 49991679 HNCBMJIQRKLCGM-UHFFFAOYSA-N 370.268 3.591 0 40 FHAB CCCOC1(C(=O)Nc2ccc(OCCOCC)nc2)CCCCC1 225909547 RFVUOQINPNBARC-UHFFFAOYSA-N 350.459 3.565 0 40 FHAB CCCOC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2cccn2C)cc1 61331684 MOHTVZUOYJSPNG-SFHVURJKSA-N 355.438 3.961 0 40 FHAB Cc1cc(S(=O)(=O)NCCOc2ccc3ccccc3c2)ccc1F 223646121 DTIPLVYTGJDLIP-UHFFFAOYSA-N 359.422 3.645 0 40 FHAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1nnc(SC(C)C)s1 224476107 IWQZPAKDVPPGBW-LLVKDONJSA-N 367.496 3.843 0 40 FHAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)Cc2ccccc2Cl)c1 222994222 HODAJFFWTXCTPD-LBPRGKRZSA-N 369.870 3.538 0 40 FHAB CCOC[C@@H]1CN(Cc2cccnc2)Cc2cnn(CC3CCCC3)c21 96198445 ZREJVDJQZRQGNZ-FQEVSTJZSA-N 354.498 3.604 0 40 FHAB C[C@H]1CCN(C(=O)CN2C(=O)CCc3ccccc32)[C@@H](c2ccco2)C1 608486714 IZGNJYKXNQMZMQ-MAUKXSAKSA-N 352.434 3.559 0 40 FHAB CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc3nc(C)nn3c2)s1 289772003 SJQCFFGOKIWVLK-NSHDSACASA-N 358.471 3.590 0 40 FHAB CCN(C(=O)c1cccc(C(=O)O)c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 564955413 WXVPCQOHHMKRSP-JXFKEZNVSA-N 366.461 3.682 0 40 FHAB Cc1cnc(Nc2cccc(C3CCN(C4CCOCC4)CC3)n2)s1 585262591 GPQQQBKNZZTDLP-UHFFFAOYSA-N 358.511 3.949 0 40 FHAB CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccc(-c2cnc(C)o2)cc1 44844924 AFYKTPPMJVMDIL-UNOMPAQXSA-N 361.401 3.766 0 40 FHAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@@H](C)CN1CCCCC1 60093281 AHJUFOJFAIXUOH-OAHLLOKOSA-N 374.916 3.686 0 40 FHAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Cc1cn2cccc(C)c2n1 65489023 VLPKLHLHIGEIRR-QGZVFWFLSA-N 351.450 3.917 0 40 FHAB COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCN(Cc4cccs4)C[C@H]23)cc1 72399146 JJFXQEABEJDXBU-NJDAHSKKSA-N 370.518 3.593 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)n2C)cc1 912284 GXHFXYJYRYNGSN-UHFFFAOYSA-N 357.410 3.605 0 40 FHAB Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2cccnc2N(C)C)CC1 516130941 BKOHZRPCUJWEJQ-UHFFFAOYSA-N 362.477 3.957 0 40 FHAB O=C(NCC1CCN(CC(F)(F)F)CC1)c1cc2ccccc2s1 189263987 DHAUKIJHFJULGU-UHFFFAOYSA-N 356.413 3.905 0 40 FHAB CC(C)[C@H](C)NC(=O)COC(=O)c1cc2c(s1)-c1ccccc1OC2 5304469 KXHDFRXMVXNEGL-LBPRGKRZSA-N 359.447 3.625 0 40 FHAB CCCOc1c(/C=C2/N=C(c3cccc(OC)c3)OC2=O)cccc1OC 5000795 NYHJQTSIPWCDFT-GHRIWEEISA-N 367.401 3.837 0 40 FHAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)N3CCCCC3)C2)n1 12088583 UWVRNVUOMRAFKB-SFHVURJKSA-N 365.481 3.632 0 40 FHAB Cc1c2c(=O)n(-c3ccc(Cl)cc3)[nH]c2cc(=O)n1Cc1cccs1 12408101 TVJRWMFDBNBSRQ-UHFFFAOYSA-N 371.849 3.552 0 40 FHAB O=C(C1CCCCC1)N1CCC[C@@H](c2nc(O)cc(-c3ccccn3)n2)C1 13267918 OHDLAZCSDNFNOR-MRXNPFEDSA-N 366.465 3.531 0 40 FHAB Cc1ccc(Cl)c(NC(=O)Cn2nnc(-c3ccccc3)n2)c1Cl 14083068 VUDBBNCWRWXTLD-UHFFFAOYSA-N 362.220 3.594 0 40 FHAB COc1ccccc1N(C(C)=O)[C@@H]1SC(=O)N(c2cccc(C)c2)C1=O 16663610 LYXBGIVIKCNIFI-GOSISDBHSA-N 370.430 3.583 0 40 FHAB CC(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)C1 19694695 GSKCMEZTGLDYIS-OAHLLOKOSA-N 358.873 3.589 0 40 FHAB Cc1ccc(CC(=O)N[C@H](c2ccccn2)[C@H]2CC[C@H](CN)CC2)cc1 257231940 GIUFFZPTHDNBES-IPJJNNNSSA-N 351.494 3.555 0 40 FHAB C[C@H](C(=O)Nc1ccccc1F)N1CCC[C@H](C(=O)Nc2ccccc2)C1 12326903 ABCKSCSMIUHJDE-CVEARBPZSA-N 369.440 3.503 0 40 FHAB CCc1ncnc(N2CCCN(c3nc4ccccc4s3)CC2)c1F 1888906284 LKBPBIJVIIINHH-UHFFFAOYSA-N 357.458 3.505 0 40 FHAB O=c1c(NCc2cccc(Cl)c2)c(NCc2cccc(Cl)c2)c1=O 1889221313 PXGGZVYXHKHDAE-UHFFFAOYSA-N 361.228 3.814 0 40 FHAB Cc1cc(OC[C@H]2CCCN(c3cc(C(F)(F)F)nc(C)n3)C2)ccn1 1776001245 HCMHNWFLRSSNGJ-AWEZNQCLSA-N 366.387 3.803 0 40 FHAB Cc1ccc2cc(CCNC(=O)c3cccc(Cl)c3)c(=O)[nH]c2c1C 3911878 GGISNZNDCRLHBM-UHFFFAOYSA-N 354.837 3.771 0 40 FHAB O=c1nc(SCc2ccccc2F)c2c(n1Cc1ccco1)CCC2 4940121 ZNPUYUDQWAFTSC-UHFFFAOYSA-N 356.422 3.805 0 40 FHAB O=c1nc(SCc2ccc(F)cc2)c2c(n1Cc1ccccn1)CCC2 5264333 RGZYPZSXSUDMSQ-UHFFFAOYSA-N 367.449 3.607 0 40 FHAB COc1ccc(OCC(=O)OCc2cc(-c3ccccc3F)on2)cc1 16838636 IDHRMHWKJWEAFR-UHFFFAOYSA-N 357.337 3.612 0 40 FHAB O=C(NCN1CCN(c2cccc(Cl)c2)CC1)c1cc2ccccc2o1 19873619 ZZXIIFLCABKHAJ-UHFFFAOYSA-N 369.852 3.596 0 40 FHAB CCc1ccccc1NC(=O)Cc1csc(NC(=O)NC2CCCC2)n1 22699131 QBQYALMCSFZQET-UHFFFAOYSA-N 372.494 3.951 0 40 FHAB Cc1cc(C)n([C@@H](CNC(=O)CCc2c(C)noc2C)c2cccs2)n1 575610524 PHRAYTRIOFTPDW-KRWDZBQOSA-N 372.494 3.505 0 40 FHAB Cc1ccc(-c2cc(CC3(C(=O)O)CCN(C(=O)C(C)C)CC3)on2)cc1 12366494 UJTZYGCKUBKUKS-UHFFFAOYSA-N 370.449 3.542 0 40 FHAB O=C(NC[C@](O)(c1cccs1)C1CC1)c1ccccc1C(F)(F)F 75155315 FOBZGDFUEQIZPF-MRXNPFEDSA-N 355.381 3.795 0 40 FHAB Cc1c(C(=O)Nc2cccc(N3CCCCC3=O)c2)oc2c1C(=O)CCC2 40133634 LZUMHBOYLDABJF-UHFFFAOYSA-N 366.417 3.876 0 40 FHAB O=C(CCNC(=O)c1ccccc1)N[C@H](c1ccc(F)cc1)C1CCCC1 40117363 BLXCWKIXBTUBLM-NRFANRHFSA-N 368.452 3.993 0 40 FHAB O=C(Nc1ccccc1)c1ccc2c(=O)n(-c3ccccc3F)cnc2c1 32101167 HAERPATUAZPMSU-UHFFFAOYSA-N 359.360 3.777 0 40 FHAB CC(C)(C)NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 780498 JOZYQHXTPDTICK-UHFFFAOYSA-N 357.281 3.760 0 40 FHAB C[C@@H]1CCCCN1C(=O)CSc1nnc(Nc2ccccc2F)s1 2634147 IHEOVQIBHMPXIF-LLVKDONJSA-N 366.487 3.914 0 40 FHAB Clc1cccc(C(Nc2nncs2)Nc2nncs2)c1Cl 1612129 KXAKISSNVONREV-UHFFFAOYSA-N 359.267 3.919 0 40 FHAB O=C(COc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCC1 3563985 JSOYFSOXOMJAQF-UHFFFAOYSA-N 372.852 3.984 0 40 FHAB Cc1nc(COc2ccc(C(=O)N3CC[C@H]4CCCC[C@@H]4C3)cc2)no1 32878982 UWBHGFJQLOPMKP-NVXWUHKLSA-N 355.438 3.609 0 40 FHAB O=C(Oc1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1cccs1 102592430 FQYXPXNMCLHVLW-SYWGBEHUSA-N 367.426 3.503 0 40 FHAB Cc1cc(C)cc(NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 6280962 IFGJGUVBMOCXES-QGZVFWFLSA-N 374.506 3.713 0 40 FHAB CCCN1C(=O)S[C@@H](Cc2c(OC)ccc3ccc(OC)cc23)C1=O 6879217 WTVOQTZEGXQYFD-KRWDZBQOSA-N 359.447 3.874 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1OCC 7927675 ISARURSKBRFPOX-UHFFFAOYSA-N 355.843 3.938 0 40 FHAB NC(=O)c1cccc(-c2nc(-c3ccc(N4CCCC4=O)cc3)cs2)c1 46865246 LNWONCJUTKOXFW-UHFFFAOYSA-N 363.442 3.703 0 40 FHAB CCCC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1 9062090 CWNBGSOLDAKXMZ-UHFFFAOYSA-N 350.378 3.728 0 40 FHAB CCOc1ncccc1C(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C 9531246 MLQSDNVQFHIQTD-IBGZPJMESA-N 370.449 3.769 0 40 FHAB COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc(C)c1C 994530 SRXDLYJKSRQSSW-UHFFFAOYSA-N 353.827 3.822 0 40 FHAB CCCCc1nnc(NC(=O)c2cc3cc(OC)ccc3nc2C)s1 23364335 HFTJCENKFLJREC-UHFFFAOYSA-N 356.451 3.998 0 40 FHAB Cc1nc(-c2ncccn2)sc1C(=O)N[C@H](C)c1ccc(F)cc1F 55004865 LIDDJASMAQEPHH-SECBINFHSA-N 360.389 3.678 0 40 FHAB Cc1ccc(NS(=O)(=O)/C=C/c2ccccc2Cl)cc1C(=O)O 76082327 XWJPNIQPSFAZTB-CMDGGOBGSA-N 351.811 3.759 0 40 FHAB Cc1cccc(-c2noc(CNS(=O)(=O)c3ccc(C(C)C)cc3)n2)c1 22256868 SYMKQWMGMPZAQZ-UHFFFAOYSA-N 371.462 3.647 0 40 FHAB Cc1nn(C)c2sc(C(=O)N(Cc3ccccc3)C[C@H]3CCCO3)cc12 56149390 BZEXHAJROASRAA-MRXNPFEDSA-N 369.490 3.765 0 40 FHAB CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@H](C)c1nnc(-c2cccs2)o1 107497327 MBGFXOQJLABIOG-QLFBSQMISA-N 374.510 3.725 0 40 FHAB O=C(Cn1c(-c2cscn2)nc2ccccc21)N[C@@H]1CCc2ccccc21 12525352 BRINXSSXELSQTP-MRXNPFEDSA-N 374.469 3.964 0 40 FHAB CN(CC(=O)Nc1ccc(F)cc1)Cc1ccccc1N1CCCCC1 12587709 HCJOYRCIGHPVKI-UHFFFAOYSA-N 355.457 3.887 0 40 FHAB O=c1/c(=C/C=C/c2ccccc2)sc2nc(/C=C/c3cccs3)nn12 27022414 IGLXARSPOGJPMP-BXPXXIIUSA-N 363.467 3.596 0 40 FHAB CCCCc1ccc(NC(=O)COC(=O)c2ccc(OC)c(OC)c2)cc1 1911441 FXWOVXGUTQVXQM-UHFFFAOYSA-N 371.433 3.842 0 40 FHAB COc1ccc(Br)c(C(=O)Nc2cccc(-c3nnco3)c2)c1 27111311 DYNNKZJDJYPLAX-UHFFFAOYSA-N 374.194 3.760 0 40 FHAB C[C@@H](NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C)c1ccccc1Cl 58048056 QYCYAQCWQJSZGX-ZIAGYGMSSA-N 371.868 3.755 0 40 FHAB O=C(NC1CCN(CC(F)F)CC1)c1ccc2[nH]c3c(c2c1)CCCC3 58155092 XTMDFDBBHMFOEU-UHFFFAOYSA-N 361.436 3.506 0 40 FHAB O=C(CSCc1cccc(Cl)c1)NCCSc1ccccn1 20238061 RLCAJKYXISZENI-UHFFFAOYSA-N 352.912 3.877 0 40 FHAB COc1ccc(F)cc1S(=O)(=O)NCc1ccc(Cl)cc1Cl 10301819 XDLPKWJRHJYJFR-UHFFFAOYSA-N 364.225 3.620 0 40 FHAB CCCCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 10330939 UXVHQXYXPVOLND-UHFFFAOYSA-N 360.479 3.634 0 40 FHAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccc(C)cc1 2264193 XDDKMDRGDDKWJX-UHFFFAOYSA-N 351.410 3.508 0 40 FHAB CCCNC(=O)COC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 3371146 JXARAVHXSDIPQF-UHFFFAOYSA-N 362.429 3.893 0 40 FHAB C[C@H]1CCCCN1Cc1ccccc1CNc1cncc(-n2cccn2)n1 48279144 QKBVTQMPYTWGIH-KRWDZBQOSA-N 362.481 3.649 0 40 FHAB C[C@@H]1C[C@@H](C)CN(CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C1 12982231 KWXHZNPBKPOBGQ-HZPDHXFCSA-N 352.482 3.666 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)c2cnc3c(cnn3C(C)C)c2)c1 12971743 ZMHASUKIJYLZJI-ZDUSSCGKSA-N 368.437 3.520 0 40 FHAB Cc1cc(/C=C/C(=O)NCCc2ccc3c(c2)OCO3)c(C)n1C1CC1 12996253 GDPBKZSZUKCYDY-XBXARRHUSA-N 352.434 3.541 0 40 FHAB CC(=O)c1cccc(OCC(=O)Nc2ccc(Br)cc2F)c1 3611561 VCGRHYHMWLFTBX-UHFFFAOYSA-N 366.186 3.808 0 40 FHAB Cc1nc2c3ccccc3nc(SCCC(=O)NC3CCCCC3)n2n1 13231279 SCPMIWDPBVZEKQ-UHFFFAOYSA-N 369.494 3.517 0 40 FHAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)N1CCCCCC1 408702812 DACYPBJHHXFAGG-UHFFFAOYSA-N 372.490 3.531 0 40 FHAB O=C1C[C@@H](c2cccs2)c2c(c(C(=O)O)cn2-c2cccc(F)c2)N1 49545059 HEYQMCKOFBJVJE-LBPRGKRZSA-N 356.378 3.850 0 40 FHAB CN(CC(=O)Nc1ccccc1Br)C(=O)/C=C/c1ccccc1 6084112 GOFBHYCHNAECEG-VAWYXSNFSA-N 373.250 3.559 0 40 FHAB C[C@H]1CCCN(Cc2csc(NC(=O)COc3ccc(F)cc3)n2)C1 14141718 GIKYECXSTZHOCC-ZDUSSCGKSA-N 363.458 3.532 0 40 FHAB COc1ccc(Nc2nc(C(=O)OCC(=O)c3ccccc3)cs2)cc1 4676563 CJDDNCWSBRTBQT-UHFFFAOYSA-N 368.414 3.935 0 40 FHAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc3ccccc3n2)c1 14622891 CZMPJGSZXZYFAM-UHFFFAOYSA-N 360.822 3.544 0 40 FHAB CCCCOc1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1 4798120 HHMUZQQWZLVMTF-UHFFFAOYSA-N 354.450 3.954 0 40 FHAB CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1cccc(F)c1 4736298 MNZKZEGUXCXDFG-UHFFFAOYSA-N 362.474 3.645 0 40 FHAB CC(C)OCc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1 6822761 BXCDDIFMLQPCNN-UHFFFAOYSA-N 354.450 3.701 0 40 FHAB O=C1c2ccccc2N[C@@H](c2ccc3c(c2)OCCO3)N1Cc1ccco1 6830873 QPHWRBWKVSTWLN-HXUWFJFHSA-N 362.385 3.818 0 40 FHAB Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1ccc(OC(C)C)cc1 27933243 OALZDVGAMYTVKR-UHFFFAOYSA-N 369.387 3.818 0 40 FHAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)O[C@H]3C[C@@H](C)OC3=O)sc2n1 7785309 ZBBMEGRIGCTZTB-OLZOCXBDSA-N 370.430 3.565 0 40 FHAB COc1ccc(NC(=O)CN(C)[C@H](C)c2nc3ccccc3s2)cc1 7922172 BDJQJXHSJFEXNM-CYBMUJFWSA-N 355.463 3.936 0 40 FHAB CC(C)c1ccc(-n2ccnc2SCC(=O)NC2CCC(O)CC2)cc1 7984803 GHZXJZWAADDWDF-UHFFFAOYSA-N 373.522 3.508 0 40 FHAB c1ccc(COc2ccccc2CN2CCCN(c3cccnn3)CC2)cc1 93150480 CMPAHYYJVDDBSM-UHFFFAOYSA-N 374.488 3.768 0 40 FHAB COc1cccc(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c1O 9512687 CIBXITVPAUBOPB-UHFFFAOYSA-N 370.188 3.503 0 40 FHAB O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)NC1CCCCCC1 71832889 ORDWVQFRHMTYRD-AWEZNQCLSA-N 351.441 3.813 0 40 FHAB Cc1cc(F)ccc1NC(=O)[C@H]1CSCN1C(=O)OCc1ccccc1 408737280 NCZMKZSRYWYIAZ-QGZVFWFLSA-N 374.437 3.784 0 40 FHAB Cc1ccc2c(CC(=O)N[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c[nH]c2c1 95446322 UDMULNDDEVWVQR-INIZCTEOSA-N 371.481 3.535 0 40 FHAB CCn1ccnc1/C=C/C(=O)OCc1cn2cc(Cl)cc(Cl)c2n1 95469044 WTBASACAQVDQDE-ONEGZZNKSA-N 365.220 3.614 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)c2c(C)nn(C)c2C)cnc1N1CCCC[C@H]1C 95468437 YFJRYRBXUGFIFN-CABCVRRESA-N 369.513 3.861 0 40 FHAB CCN(C(=O)c1nnn(-c2cccc3cnccc23)c1C)[C@H](C)C(C)C 95953735 ZTQFBJYTICQYNZ-CQSZACIVSA-N 351.454 3.631 0 40 FHAB COc1cccc(N[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1 95949681 ZZEOUZDKIBTYGP-CYBMUJFWSA-N 365.216 3.746 0 40 FHAB CCOc1ccccc1[C@H]1CC(c2ccc(OC)cc2OC)=NN1C(C)=O 89271925 FCMLDCIURBEQMU-LJQANCHMSA-N 368.433 3.800 0 40 FHAB COC(=O)CC(C)(C)NC(=O)Nc1c(C)cc(Br)cc1C 75107870 RALDRFBPBYGNHC-UHFFFAOYSA-N 357.248 3.529 0 40 FHAB Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 20612032 QNVFDESQKPAIDP-UHFFFAOYSA-N 370.880 3.817 0 40 FHAB COc1ccc(-c2noc(CCCC(=O)Nc3ccccc3F)n2)cc1 21168696 JTGBZMNEUVXWBF-UHFFFAOYSA-N 355.369 3.846 0 40 FHAB COc1ccc(S[C@H](C)C(=O)NCCCN2CCc3ccccc32)cc1 20461990 OSDZPKRKOZKJOV-MRXNPFEDSA-N 370.518 3.745 0 40 FHAB COc1ccc(C(=O)c2oc3cc(NC(C)=O)ccc3c2C)cc1OC 9420003 IOTQSOIFWZWIGO-UHFFFAOYSA-N 353.374 3.948 0 40 FHAB biogenic CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(Cl)c1O 409254435 XEINCWMYFAPALR-UKTHLTGXSA-N 371.842 3.517 0 40 FHAB Cc1ccc(C(=O)NCCNCc2ccc(Cl)c(Cl)c2)cc1F 30670161 XCZJINORILKBRZ-UHFFFAOYSA-N 355.240 3.961 0 40 FHAB O=C(c1ccncc1)N1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 72358719 SDNDRAGQCIMBRR-MRXNPFEDSA-N 362.408 3.698 0 40 FHAB Cc1cc(Nc2cc([C@H]3CCCN3C(=O)C3CCCCC3)nc(C)n2)[nH]n1 72359931 BFMUPADGFJCYFQ-QGZVFWFLSA-N 368.485 3.804 0 40 FHAB CC(C)N1CCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 72216462 WHBKVIBZPMSGON-SFHVURJKSA-N 374.529 3.684 0 40 FHAB Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2ccc(F)cc2)n1 72378396 WLFKNGWANKDBFE-GOSISDBHSA-N 350.397 3.692 0 40 FHAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2cccc(O)c2)c(OC)c1 40284585 QFHIKXQFWRXOQI-OAHLLOKOSA-N 365.389 3.719 0 40 FHAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCc1ccc(OC)c(OC)c1 222979496 FDAWZZUYNHNOLV-IBGZPJMESA-N 371.477 3.837 0 40 FHAB Cc1ccc(CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c(C)c1 224624384 DEGCPQZZBYHZFU-UHFFFAOYSA-N 352.478 3.958 0 40 FHAB COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)noc2N)cc1 45387081 VUFWURPHGAUZMX-UHFFFAOYSA-N 356.378 3.625 0 40 FHAB COc1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)c(OC)c1 134101205 AHRQQDGFGBZXES-UHFFFAOYSA-N 357.431 3.682 0 40 FHAB CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1cc(Cl)ccc1Cl 224938250 ULPRISHFERRDNW-UHFFFAOYSA-N 374.245 3.590 0 40 FHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)[nH]1 223845699 LWRKNDTUJBESGE-RBUKOAKNSA-N 364.474 3.909 0 40 FHAB COc1ccc(NC(=O)NCCC(=O)N2CCCCc3ccccc32)cc1 40133948 FYAQHFOEHWPATN-UHFFFAOYSA-N 367.449 3.576 0 40 FHAB Cc1cc(Br)cc(C)c1N1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O 226404865 SUWDGXUJCJKDOO-YTQIUSBHSA-N 372.262 3.623 0 40 FHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)[nH]1 223332936 GHCLJERQZKTIDB-MSOLQXFVSA-N 352.463 3.792 0 40 FHAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccco2)cc1 223407676 HFXNODBAXZXJRA-MOPGFXCFSA-N 365.458 3.856 0 40 FHAB C=CC(=O)Nc1cc(NC(=O)c2cnn(CC(C)C)c2C2CC2)ccc1F 92376574 HATYJNRTMFDZPI-UHFFFAOYSA-N 370.428 3.932 0 40 FHAB Cc1ccc(NC(=O)c2nc(-c3cn(C(C)C)cn3)n3ccccc23)nc1 96088222 CIYRFEUHWCVRGV-UHFFFAOYSA-N 360.421 3.734 0 40 FHAB O=C(O)c1cc2cc(CN3CCN(c4cc(F)ccc4F)CC3)ccc2o1 583386823 NJJWYLQLXARSPS-UHFFFAOYSA-N 372.371 3.731 0 40 FHAB Cc1cccc(COC[C@@]23CCC[C@@H]2CN(Cc2scnc2C)C3)n1 96109300 UKAWZHMLXFDNLY-XLIONFOSSA-N 357.523 3.974 0 40 FHAB COc1cccc(NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccncc2)C3)c1 245173983 YFCXJWIXXNQMDB-HOTGVXAUSA-N 353.422 3.697 0 40 FHAB COc1cc(OC)cc(C(=O)N2CCC[C@H]2CCc2ccnc(C)c2)c1 257289730 PZXOFCKRTTUKQZ-SFHVURJKSA-N 354.450 3.645 0 40 FHAB COC(C)(C)C(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257210393 BUKWHAHVLOSGNC-KRWDZBQOSA-N 360.429 3.883 0 40 FHAB CCCOc1ccc(S(=O)(=O)Nc2cccc(-c3cccnc3)n2)cc1 1124133245 MEQXQMUIKRQJRO-UHFFFAOYSA-N 369.446 3.733 0 40 FHAB COc1cccc([C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)OC)c1 96389948 UVBDGXXZUBSMGC-MRXNPFEDSA-N 353.340 3.832 0 40 FHAB COc1ccc(S(=O)(=O)NCCCc2cc3ccccc3o2)cc1C 390831186 QIHFQAIZKBPGLM-UHFFFAOYSA-N 359.447 3.661 0 40 FHAB c1ccc2c(CN3CCC[C@H](Cc4cncc(-c5ncc[nH]5)n4)C3)c[nH]c2c1 585182447 WARWJRDEWUNOFR-MRXNPFEDSA-N 372.476 3.803 0 40 FHAB CC(C)(C)OC(=O)N1CCO[C@@H](Cc2ccc(Br)cc2)C1 1857793211 KVZXMTDBKFHVKR-AWEZNQCLSA-N 356.260 3.628 0 40 FHAB COc1cccc(C(=O)Nc2cccc(I)c2)c1 5443537 PILMUNIGIQJRPX-UHFFFAOYSA-N 353.159 3.552 0 40 FHAB C[C@@H]1C[C@]2(C[C@H](CN(C3CCCCC3)C3CCCCC3)OC2=O)C(=O)O1 5495948 NEYOBFYBCKOYGK-FPDPHYFHSA-N 363.498 3.591 0 40 FHAB CS(=O)(=O)Nc1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1 11144534 ODHZZORTIZIJGH-UHFFFAOYSA-N 365.263 3.679 0 40 FHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)cc1 5214769 WBFCRZLBZMPQFF-MHWRWJLKSA-N 370.405 3.809 0 40 FHAB O=C(CCc1csc(NC(=O)c2ccco2)n1)Nc1ccc(F)cc1 11834994 LZPMVUCBYHIDRT-UHFFFAOYSA-N 359.382 3.699 0 40 FHAB CCc1c(C)nc2cc([C@@H]3CCN(Cc4cccc(F)c4F)C3)nn2c1O 12276401 QSPLKDWQCDKDQO-CYBMUJFWSA-N 372.419 3.573 0 40 FHAB COc1ccccc1CN1CCCC[C@@H]1c1cc2nc(C)c(C)c(O)n2n1 12337777 ZGDSASYLROJTDW-GOSISDBHSA-N 366.465 3.788 0 40 FHAB CCOC(=O)Nc1cc(OCCc2ccccc2)cc(NC(=O)OCC)n1 13215670 OAUZDYWDMJUZHA-UHFFFAOYSA-N 373.409 3.840 0 40 FHAB CN(CCNS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1 13672532 REDIKTUBLOIHJY-UHFFFAOYSA-N 373.305 3.549 0 40 FHAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3ccc4c(c3)CCC4)ccc12 15336891 GRVFLLALJIAFKB-CQSZACIVSA-N 363.413 3.996 0 40 FHAB CCC(=O)N1N=C(c2ccc(Cl)cc2)Sc2c1ncn2C(=O)CC 16777592 ZMGWERPUSFMRFW-UHFFFAOYSA-N 362.842 3.797 0 40 FHAB COc1ccc(OCCCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 18891712 AUGOFHXAPJFYGT-HNNXBMFYSA-N 371.433 3.503 0 40 FHAB Cc1nc(C)c(C(=O)N2CCC(c3nc(C)n4c(C)csc34)CC2)o1 19240558 IDGRANYTHRQIMG-UHFFFAOYSA-N 358.467 3.637 0 40 FHAB O=C(c1ccc(F)cc1)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 19331965 HWBXZKGKDAFQMG-CYBMUJFWSA-N 357.410 3.957 0 40 FHAB CC1CCN([C@H](CNC(=O)CCc2ccncc2)c2ccccc2)CC1 19496805 SVMNVCGIJVGCRP-OAQYLSRUSA-N 351.494 3.604 0 40 FHAB COc1cccc(CN2C[C@@H](c3cc[nH]n3)[C@H](c3ccc(F)cc3)C2)c1 19565510 OCMIRAYIGBQHAM-VQTJNVASSA-N 351.425 3.941 0 40 FHAB O=C(C1CCC1)N1CCC([C@@H]2CC=CCN(Cc3ccccc3)C2=O)CC1 19696034 SRRYPCBJSNOGIB-NRFANRHFSA-N 366.505 3.630 0 40 FHAB Cc1ccc(NCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1 5337520 HGNNBRNQGWEMOD-RQZCQDPDSA-N 368.414 3.830 0 40 FHAB O=C(NCC1CCN([C@@H]2CCSC2)CC1)Nc1ccccc1Cl 225576870 DSXNVSQEPCVCID-CQSZACIVSA-N 353.919 3.679 0 40 FHAB CN(Cc1cc(-c2ccco2)on1)[C@H]1CCN(c2ccccc2Cl)C1=O 111270991 AUTXIVSEHRUPLM-INIZCTEOSA-N 371.824 3.825 0 40 FHAB C[C@@H]1COc2ccccc2CCCCC2(CCN(CC3CC3)CC2)C(=O)N1 643566492 FFUGXGCQLQASSB-GOSISDBHSA-N 370.537 3.789 0 40 FHAB C[C@@H](Cc1cc2c(cc1O)OCO2)[C@@H](C)Cc1cc2c(cc1O)OCO2 14437570 INGQRUQCHRFZGR-RYUDHWBXSA-N 358.390 3.613 0 40 FHAB biogenic,in-vitro C[C@H]1NCCC[C@@H]1Nc1ncc(C(N)=O)c2sc(-c3ccccc3)cc12 136883664 LMQOZGSVTQQPFU-WBMJQRKESA-N 366.490 3.615 0 40 FHAB CN(C)[C@@H](C(=O)Nc1ccc(CN2CCCC2)cc1)c1ccc(F)cc1 19661319 REQXUKJCLTVBOV-HXUWFJFHSA-N 355.457 3.663 0 40 FHAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cccc3ccccc23)C1=O 4787479 DVADYBBVCXJRRO-QFIPXVFZSA-N 374.396 3.536 0 40 FHAB CN(C)C1(CNC(=O)c2cc(Br)ccc2F)CCCCCC1 12807762 BBBXVTDAKBBLHQ-UHFFFAOYSA-N 371.294 3.973 0 40 FHAB CC(=O)N[C@@]1(C(Cl)(Cl)Cl)Oc2ccc(C(C)(C)C)cc2O1 824862 DPOOZJVXHIHRAD-AWEZNQCLSA-N 352.645 3.915 0 40 FHAB CCCC(=O)Nc1nnc(SCC(=O)Nc2cc(C)ccc2C)s1 4077919 GUBJKAPJPCNTJQ-UHFFFAOYSA-N 364.496 3.624 0 40 FHAB CCCn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(OCC)ccc21 4193310 PYAZFQQFXMXQQH-UHFFFAOYSA-N 371.458 3.643 0 40 FHAB Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NC(=O)c2ccco2)c1 5259086 JTZPEJDYDMVBBL-UHFFFAOYSA-N 363.348 3.679 0 40 FHAB COc1cccc(NC(=O)Cn2c(-c3ccncc3)nc3ccccc32)c1 23144233 OXOYKGHMYNUYBV-UHFFFAOYSA-N 358.401 3.746 0 40 FHAB O=C(NC[C@H](c1cccs1)n1cccn1)c1cc(-c2ccccc2)on1 575613886 LAIPNVYESQTGJI-MRXNPFEDSA-N 364.430 3.619 0 40 FHAB CCCCOc1ccc(C(=O)N2CCCC[C@@H]2CCN2CCOCC2)cc1 20869035 CTKGQJWXCUAAPH-HXUWFJFHSA-N 374.525 3.583 0 40 FHAB O=C(CN1CCC[C@@H]1Cc1ccccc1Cl)N1CCc2ccccc2C1 60038506 CLTBQUDMLRFHCD-HXUWFJFHSA-N 368.908 3.932 0 40 FHAB Cc1ccccc1-n1ncc(C(=O)Nn2cnc3ccccc32)c1C1CC1 29786149 PPYVQKDJUDCEID-UHFFFAOYSA-N 357.417 3.792 0 40 FHAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1c(Cl)cccc1Cl 29710553 JLSCZHHEXIAROI-SNVBAGLBSA-N 371.289 3.592 0 40 FHAB COc1cc(C(=O)Oc2ccc(Br)cc2)cc(OC)c1OC 727345 PNRMMQKLFPZSAJ-UHFFFAOYSA-N 367.195 3.694 0 40 FHAB O=C(O)CCCC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 1117794 NHGOZOMKVBRHBF-UHFFFAOYSA-N 351.362 3.597 0 40 FHAB CCOC(=O)COc1cc2c(cc1[C@H](C)c1ccc(OCC)cc1)OCO2 1582282 JLVIYUCEYNPVLT-CQSZACIVSA-N 372.417 3.908 0 40 FHAB CCN(CC)CC[C@@](O)(Cc1ccccc1)[C@@H](C(=O)O)c1ccccc1 1681791 ALJWAWZTLYHUER-IFMALSPDSA-N 355.478 3.561 0 40 FHAB CCC(=O)NCCc1nc2ccccc2n1Cc1c(F)cccc1Cl 2721421 QZMRIVWRLXHCSH-UHFFFAOYSA-N 359.832 3.946 0 40 FHAB COc1ccccc1-c1nnc2n1N=C(c1ccc(C)c(C)c1)CS2 4586113 LILWPKRLGYOTDO-UHFFFAOYSA-N 350.447 3.929 0 40 FHAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)N1CCCCCC1 4966485 KMUSLVKVGCXSMS-UHFFFAOYSA-N 357.523 3.878 0 40 FHAB CC(C)(C)NC(=O)CNC(=O)c1ccccc1SCc1cccs1 21709039 CHZXWJMKBKYQMR-UHFFFAOYSA-N 362.520 3.685 0 40 FHAB CCCOc1ccc(C(=O)Nc2c(NC)c3ccccc3oc2=O)cc1 6823084 NMOMTBACABITEN-UHFFFAOYSA-N 352.390 3.876 0 40 FHAB C[C@@H]1CCCCN1CCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 32931449 HXDBRIUQSGBPSQ-OAHLLOKOSA-N 361.486 3.638 0 40 FHAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)CCC2 8240922 RYNKWBKOLRPHOR-IBGZPJMESA-N 354.425 3.708 0 40 FHAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2cccc(N3CCNC3=O)c2)o1 47041417 TYJSSCGXSZWICE-YIZGGREMSA-N 351.406 3.585 0 40 FHAB COc1ccc(CN(C)C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1F 57606861 NVJAHMSWMQFSRE-LLVKDONJSA-N 374.437 3.539 0 40 FHAB CCCOc1cc(CN2CCNC(=O)C[C@H]2c2ccccc2)ccc1OC 92075978 QOLZPKOFAXLKNP-IBGZPJMESA-N 368.477 3.547 0 40 FHAB CCCN(CCC)C(=O)c1cnn(-c2ccccc2Cl)c1NC(C)=O 644289 NNTSLHGUBQMHHA-UHFFFAOYSA-N 362.861 3.746 0 40 FHAB CCOc1ccc(N2C(=O)/C(=C\c3ccc(CC)cc3)NC2=S)cc1 9189162 QFDJONHKDTXUMH-QGOAFFKASA-N 352.459 3.910 0 40 FHAB CCCCCOc1ccc(NC(=O)C(=O)NCCc2ccccc2F)cc1 9234982 ULAOUOWXABMFLA-UHFFFAOYSA-N 372.440 3.692 0 40 FHAB COc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccco3)C2)cc1OC 801911 KDQPMRNNDQJRQJ-OAHLLOKOSA-N 366.373 3.881 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 17116292 XJGWIOIJCNRMOH-HZPDHXFCSA-N 354.450 3.839 0 40 FHAB O=c1oc2ccccc2n1CN1CCC[C@H]1c1nc2ccccc2s1 23866956 BNZSGIUFYAIOTH-HNNXBMFYSA-N 351.431 3.999 0 40 FHAB O=C(N[C@H](c1ccc2c(c1)CCCC2)c1cccs1)c1ccc(O)nn1 24277448 CFCTUCCXLYIHBX-LJQANCHMSA-N 365.458 3.642 0 40 FHAB O=C(NCc1ccc(Cl)s1)NC1CCN(Cc2ccccc2)CC1 24745124 MUYGRDMRQOPCJJ-UHFFFAOYSA-N 363.914 3.865 0 40 FHAB CSc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 20482981 OJRQFXKWFMLQKV-UHFFFAOYSA-N 370.883 3.686 0 40 FHAB C[C@@H](NC(=O)CC[C@H]1CCCO1)c1cccc(OCc2ccccn2)c1 55647782 AJSLXDIITNNFIN-VQIMIIECSA-N 354.450 3.797 0 40 FHAB O=C(NCCOc1cccc2ccccc12)c1cccc(N2CCCC2=O)c1 54591994 RRVSMXBQCDJOSH-UHFFFAOYSA-N 374.440 3.775 0 40 FHAB COc1ccc(CN[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c(OC)c1 26312445 OPLDRYZKAFVFCM-OAQYLSRUSA-N 357.450 3.962 0 40 FHAB Cc1cccc(-c2nn3c(O)cc(CCc4c(C)n[nH]c4C)nc3c2C)c1 100775700 DCEGHBCCNGCVAV-UHFFFAOYSA-N 361.449 3.844 0 40 FHAB COc1ccc([C@H](C)NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 20050852 HRQOBKNSHPAWFK-SSUFTNFISA-N 371.433 3.612 0 40 FHAB CCOC(=O)c1ccc(N2C(=O)C[C@H]([C@H](C)c3ccccc3)C2=O)cc1 101270987 NPBSKIBOOTZWLV-RDTXWAMCSA-N 351.402 3.547 0 40 FHAB C[S@@](=O)c1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1 27379506 NZDCLMXVRSRHHE-HAWMADMCSA-N 368.458 3.585 0 40 FHAB CC[C@@H](C)n1c(SCC(C)=O)nc2sc3c(c2c1=O)CCCC3 3288542 YLQHPVAFQZFNOK-SNVBAGLBSA-N 350.509 3.989 0 40 FHAB C[C@H](NC(=O)CCC(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2)[C@H]1C[C@@H]2CC[C@@H]1C2 101708816 BFIMPPVMZHKIOV-LPNYPJOASA-N 360.542 3.648 0 40 FHAB C[C@@H]1C(=O)N(CC(=O)c2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 12614659 AWDHGJPREDDEPF-LLVKDONJSA-N 360.772 3.519 0 40 FHAB COc1ccc(C)cc1[C@@H](C)NC(=O)CCc1nc(-c2ccsc2)no1 58115129 BGDUSENKWDMETD-CYBMUJFWSA-N 371.462 3.925 0 40 FHAB CC[C@@H](Sc1nnc(CCC(N)=O)n1Cc1ccco1)c1ccccc1 58216514 SLJZQLQMOPDHHX-MRXNPFEDSA-N 370.478 3.581 0 40 FHAB CC(C)[C@H](NC(=O)NCCc1nc2ccccc2[nH]1)c1ccc(F)cc1 10356792 QZAMJNWZDHQWFP-IBGZPJMESA-N 354.429 3.941 0 40 FHAB O=C(Nc1ccccc1Br)c1ccc(CN2CCCC2=O)cc1 22513462 WZGWWPGQWKWJNS-UHFFFAOYSA-N 373.250 3.824 0 40 FHAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)COc1ccc2ccc(=O)oc2c1 10608782 HZJBJDNVHVKRPW-ZDUSSCGKSA-N 355.365 3.531 0 40 FHAB COC(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 3357658 NLDIZGNSJLPCML-LBPRGKRZSA-N 357.410 3.727 0 40 FHAB C[C@@H]1C[C@@H](OC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)C(=O)O1 36396505 QOEXXANDPDSWKU-AUUYWEPGSA-N 352.386 3.564 0 40 FHAB COc1ccc(-c2nnc3sc(-c4ccccc4C)nn23)cc1OC 2392275 NOQNTBYBRKECFR-UHFFFAOYSA-N 352.419 3.845 0 40 FHAB C[C@@H](NC(=O)CN1CCCCCC1=O)c1ccc(-c2ccccc2)cc1 29097732 VMCDPGRXGVUUAR-QGZVFWFLSA-N 350.462 3.933 0 40 FHAB COc1cccc(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)c1 11620656 PEGZZPVDOUIIMY-UHFFFAOYSA-N 359.857 3.999 0 40 FHAB CC(C)c1nn(C)cc1[C@@H]1Nc2ccccc2C(=O)N1CC(F)(F)F 48367540 PJFMEUGTBPELAR-OAHLLOKOSA-N 352.360 3.672 0 40 FHAB O=C(CCCNC(=O)c1cccs1)Nc1ccc(Br)cc1 12888427 IIYOJCPRVDUNMW-UHFFFAOYSA-N 367.268 3.659 0 40 FHAB CC[C@@H](SCCOc1ccc(OC)cc1)C(=O)Nc1cc(C)on1 12814975 ULDJOXWIMXMVBZ-OAHLLOKOSA-N 350.440 3.521 0 40 FHAB CN(C)S(=O)(=O)c1cccc(COc2ccccc2C(F)(F)F)c1 12881469 VXPKXDFHEPWRHN-UHFFFAOYSA-N 359.369 3.535 0 40 FHAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(F)ccc2s1 12874650 YPBZVWLKBZVRLH-HNNXBMFYSA-N 357.406 3.555 0 40 FHAB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NCc1ccccc1 3432676 KKIOCNNNKSQABS-UHFFFAOYSA-N 360.413 3.525 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)CSCc2ccccc2F)c1 24936230 OAXGPIPFQUMNSJ-ZDUSSCGKSA-N 363.454 3.954 0 40 FHAB COc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2)c1 8738572 IJDTZJSFJOLNFH-QGZVFWFLSA-N 351.381 3.803 0 40 FHAB Cc1ccc(OCCN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)cc1 8719101 ICTDVXOAJSVYKT-QFIPXVFZSA-N 364.445 3.548 0 40 FHAB O=C(N[C@H]1CCCc2ccccc21)c1cccc(NC(=O)[C@@H]2CCCO2)c1 24604290 VUCWXLWQBDVLPZ-PMACEKPBSA-N 364.445 3.612 0 40 FHAB C[C@@H](OC(=O)c1cc(=O)c2ccccc2o1)C(=O)c1c[nH]c2ccccc12 6423110 YROJUGICUUAVLS-GFCCVEGCSA-N 361.353 3.703 0 40 FHAB O=C([C@@H]1C[C@H]1c1ccccc1)N1CCN(Cc2c(F)cccc2Cl)CC1 27931321 QEOIKPMNXGVBLM-DLBZAZTESA-N 372.871 3.927 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2ccc(OC)c(OC)c2)c1C 6831342 KGEDKHGHGMZFSI-ZDUSSCGKSA-N 374.437 3.509 0 40 FHAB Clc1ccccc1O[C@H]1CCN(Cc2ncn(-c3ccccc3)n2)C1 92807263 BAYUSZIHSXEXFB-INIZCTEOSA-N 354.841 3.574 0 40 FHAB COc1ccc(OCC(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)cc1 22533093 NDKBRCIVFBLKOG-HXUWFJFHSA-N 357.450 3.986 0 40 FHAB Cc1nc(-c2cccc(NC(=O)c3cn(C)cc3C(F)(F)F)c2)no1 96012356 BDQSNJFQSXGOLQ-UHFFFAOYSA-N 350.300 3.655 0 40 FHAB O=C(Nc1cccc(Cl)c1F)c1ccc(S(=O)(=O)C(F)F)cc1 7407775 SADUWNLZJJLXGV-UHFFFAOYSA-N 363.744 3.728 0 40 FHAB C[C@H]1C[C@H]1C(=O)N1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1 68272196 IMIWIKCSHURIDQ-SUMWQHHRSA-N 354.416 3.784 0 40 FHAB CC(=O)NCCc1ccc(-c2csc(NC(=O)[C@@H]3CC=CCC3)n2)cc1 7778272 LJIRKIYIHNSORA-QGZVFWFLSA-N 369.490 3.784 0 40 FHAB COc1ccc(C(=O)COC(=O)c2cccc(C(F)(F)F)c2)c(OC)c1 7780774 FCJGTAGFUBXFQL-UHFFFAOYSA-N 368.307 3.762 0 40 FHAB CCCSc1ncc(Cl)c(C(=O)Nc2ccccc2C(=O)OC)n1 9431813 FSMIAIWFEUWDQR-UHFFFAOYSA-N 365.842 3.671 0 40 FHAB C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)c1cccc(C(F)(F)F)c1 9683357 PDPPXIAIVNRHLZ-ZBEGNZNMSA-N 351.324 3.723 0 40 FHAB Cc1ccc(NC(=O)CNC(=O)Cc2coc3cc(C)c(C)cc23)c(C)c1 72427617 OJPGWHHRENXFTE-UHFFFAOYSA-N 364.445 3.964 0 40 FHAB C[C@H](CNS(=O)(=O)c1cc(F)cc(F)c1)c1nc2ccccc2s1 84640065 AIGBERGCXWWUHJ-SNVBAGLBSA-N 368.430 3.657 0 40 FHAB CCOc1cccc(CNS(=O)(=O)c2ccc(OC)c(C(C)C)c2)c1 113955677 QMJCVHUAAPUOFA-UHFFFAOYSA-N 363.479 3.696 0 40 FHAB COc1ccccc1[C@H](Nc1nnc(C)c2ccccc12)c1nccn1C 24586224 INDVWEDNYPEXON-IBGZPJMESA-N 359.433 3.882 0 40 FHAB COc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)[nH]n2)cc1Cl 408713202 NXFKWGVSVAYPFS-UHFFFAOYSA-N 363.826 3.540 0 40 FHAB CCn1cc(C(=O)NCCC2=CCCCC2)c(=O)c2cc(OC)ccc21 22235662 LIACNESIWOQBEM-UHFFFAOYSA-N 354.450 3.650 0 40 FHAB CCc1oc2nc(-c3ccsc3)nn2c1C(=O)NCc1ccccc1 306132324 LFEPFWSYOFTZPZ-UHFFFAOYSA-N 352.419 3.543 0 40 FHAB COc1cccc(-c2cncc(C3CCN(C(=O)c4cccnc4)CC3)n2)c1 72359494 SVVLZVGXMJZQJO-UHFFFAOYSA-N 374.444 3.567 0 40 FHAB Cc1ccc(NC(=O)COc2c(C)cc(C)cc2Br)c(N)c1 70462920 VHBWHQXUMFSPCN-UHFFFAOYSA-N 363.255 3.974 0 40 FHAB O=C(CSc1nnc(NC(=O)C2CCC2)s1)c1ccc(Cl)cc1 70635043 BHCQOAUKSFWUPG-UHFFFAOYSA-N 367.883 3.905 0 40 FHAB CCc1ccccc1N[C@H]1CC(=O)N(c2ccccc2Br)C1=O 36635817 JISZWAFDQKNUMH-HNNXBMFYSA-N 373.250 3.756 0 40 FHAB COc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(Cl)cc2)cc1OC 72329275 HBWJOBRTBMHGRG-UHFFFAOYSA-N 371.824 3.677 0 40 FHAB Cc1cnc(Nc2cccc([C@@H]3CCCN3Cc3cn(C)nc3C)n2)s1 72375351 UCPJNTIKLXRZAB-KRWDZBQOSA-N 368.510 3.969 0 40 FHAB Cc1cccc(CSCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 78242255 KUVYOZQEDHQTBL-UHFFFAOYSA-N 358.482 3.716 0 40 FHAB Cc1ccc(-n2ncc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c2C2CC2)cc1Cl 40073323 HBTGOOXQDLVPAF-KBPBESRZSA-N 373.884 3.961 0 40 FHAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCCCN(CC)CC)cc1 225611874 LSBMFNIZVNXNGC-FQEVSTJZSA-N 350.503 3.941 0 40 FHAB COc1ccc(NC(=O)C(C)(C)c2ccccc2)cc1C(=O)N1CCCC1 225957486 LCQZNFPGSMDXDC-UHFFFAOYSA-N 366.461 3.848 0 40 FHAB CC(C)c1ccc(-n2cnnc2SCC(=O)N(C)C2CCCC2)cc1 40051722 PCGZCFPOZKPWSQ-UHFFFAOYSA-N 358.511 3.884 0 40 FHAB O=C(c1ocnc1C1CC1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 574513425 SNQNVIDFBNQLJO-UHFFFAOYSA-N 350.422 3.523 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 223429818 XVTRGNWLBUZBFC-HNNXBMFYSA-N 360.479 3.610 0 40 FHAB CCOc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1COC(C)C 224720622 WRDOXJWNENDAEZ-UHFFFAOYSA-N 371.433 3.669 0 40 FHAB O=C(Nc1nc2c(s1)CN(C(=O)Nc1cccs1)CC2)c1ccco1 77099815 IZSVSFYTZHBBFW-UHFFFAOYSA-N 374.447 3.640 0 40 FHAB O=C(Nc1ccc(Cl)cc1)c1cnc2sc3c(n2c1=O)CCCC3 223043209 PPKBXKSWQLYBCT-UHFFFAOYSA-N 359.838 3.541 0 40 FHAB c1ccc2oc(-c3nnc4sc(CCN5CCCCC5)nn34)cc2c1 96194081 QTQSJAWWIHAHGQ-UHFFFAOYSA-N 353.451 3.627 0 40 FHAB COc1ccccc1[C@@H](CNC(=O)c1cc(Br)cs1)OC 96384805 BAGFKPPIPLBMFE-CYBMUJFWSA-N 370.268 3.637 0 40 FHAB CC(C)c1ncc(CN2C[C@@H]3CCC[C@](O)(c4ccc(F)cc4)[C@H]3C2)cn1 248197429 RENMGUPXFFASRP-XJABCFGWSA-N 369.484 3.859 0 40 FHAB CC(=O)N1Cc2ccccc2O[C@H]([C@H]2CCCN(C[C@@H]3CC=CCC3)C2)C1 247950270 QMGLMUCBHRPOGI-QTEQDKRBSA-N 368.521 3.864 0 40 FHAB O=C(c1ccnnc1)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257245011 INTNVSJHLJCGRQ-GOSISDBHSA-N 366.396 3.562 0 40 FHAB Cc1cc(C)nc(N2CCO[C@H](c3cccc(-c4cccc(F)c4)n3)C2)n1 257343066 ZRINXLXDTMPSPL-FQEVSTJZSA-N 364.424 3.872 0 40 FHAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc4c(c3)OCO4)N21 260766170 JDRYWWUCMWBESS-XWIAVFTESA-N 353.447 3.790 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 260767950 QZMXYQXOUUUCTL-WMZOPIPTSA-N 370.468 3.924 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)Nc2ccnc(C3CC3)n2)cc1 110114123 YYJJRZDQYOKUEG-AWEZNQCLSA-N 374.510 3.558 0 40 FHAB CC[C@H](NC(=O)N[C@H]1CCc2ccccc2NC1=O)c1cc(F)ccc1F 654456094 QVXSEKYTDJPUKU-WMZOPIPTSA-N 373.403 3.669 0 40 FHAB O=C1C[C@@H]2CCN(C(=O)c3cccs3)C[C@@H]2CCOc2ccccc2N1 1534646708 PXBCEABQIPYDLJ-GJZGRUSLSA-N 370.474 3.638 0 40 FHAB CCCCCCOc1ccc(/C=C/C(=O)NC[C@H]2CCCO2)cc1OC 4039406 OWYBOPWDJDKXBK-NCUBBLFSSA-N 361.482 3.963 0 40 FHAB CCOCc1cc(CN2CCC(O)(c3ccc(F)cc3)CC2)ccc1OC 12363590 VLDDQZXOTVWSNN-UHFFFAOYSA-N 373.468 3.854 0 40 FHAB CC(C)Oc1ccc(CCCNS(=O)(=O)Cc2ccccc2F)cc1 13670434 CSHFHBZXQRUJAO-UHFFFAOYSA-N 365.470 3.665 0 40 FHAB CCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 15592924 ZGSYTSWSIDKPOW-UHFFFAOYSA-N 372.490 3.594 0 40 FHAB C[C@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1ccc(F)cc1F 15822235 HATKYGQSAFILAL-VIFPVBQESA-N 362.357 3.759 0 40 FHAB CCc1nc2c(n1C(C)=O)SC(c1ccc(C)c(C)c1)=NN2C(C)=O 16777678 OSJFZGYLZQCYCX-UHFFFAOYSA-N 356.451 3.543 0 40 FHAB Cc1nc2nc(Cc3ccc(Cl)cc3)nn2c(O)c1Cc1ccccc1 18221984 JXOHELJOWRCSCR-UHFFFAOYSA-N 364.836 3.973 0 40 FHAB Cc1ccn(C[C@H](C)C(=O)N[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)n1 19238024 RUXDNAHKRRJWBA-JMMIECQRSA-N 351.494 3.916 0 40 FHAB CCN1CCC[C@@H]1CN(Cc1ccc(OC)c(OC)c1)Cc1ccccn1 19527125 IYYOJVLSGIZSOZ-HXUWFJFHSA-N 369.509 3.585 0 40 FHAB CC(C)n1c(CN2CCC3(CC=CCN(C)C3=O)CC2)nc2ccccc21 19744772 OYWPVVJESNFNGJ-UHFFFAOYSA-N 366.509 3.618 0 40 FHAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)NC1CCCCCCC1 19937715 WIVYEDHEBCXECV-UHFFFAOYSA-N 373.884 3.862 0 40 FHAB COc1ccccc1C(=O)N1CCC[C@H](c2nnc(CC(C)(C)C)o2)C1 23140333 GITANAQJAOBQST-AWEZNQCLSA-N 357.454 3.687 0 40 FHAB O=C(CCCOc1ccccc1)NCc1ccc(Br)s1 25471999 KZMCSKNZYHKOQU-UHFFFAOYSA-N 354.269 3.986 0 40 FHAB O=S(=O)(c1ccccc1)N1N=C(c2ccco2)C[C@H]1c1ccccc1F 4942320 COBYEYBZWPLBDR-SFHVURJKSA-N 370.405 3.959 0 40 FHAB CO[C@@H]1CCC2(CCN(C(=O)CCc3ccc[nH]3)CC2)c2ccccc21 2055806555 DIBBKEZHWFVMLK-HXUWFJFHSA-N 352.478 3.989 0 40 FHAB O=C(NCCN1CCO[C@@H](c2ccccc2)C1)c1ccc2ccccc2c1 23127761 RIKPPOUZYUDXIQ-JOCHJYFZSA-N 360.457 3.643 0 40 FHAB CCCCNC(=O)c1ccc2[nH]cc3c(=O)n(-c4ccc(C)cc4)nc-3c2c1 101281913 CWWANHWUQNARTF-UHFFFAOYSA-N 374.444 3.657 0 40 FHAB C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 40159931 WNGBTUOHTLOWQY-DOMZBBRYSA-N 352.862 3.917 0 40 FHAB Cc1nnc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)s1 40129272 FKWAIAQBMIMNFZ-UHFFFAOYSA-N 370.482 3.784 0 40 FHAB COc1ccc2cc(CN(C)C(=O)c3cnc4onc(C)c4c3)ccc2c1 30802852 USBZHQJJQXIJQQ-UHFFFAOYSA-N 361.401 3.965 0 40 FHAB C[C@@H](NC(=O)c1cccc(C(N)=O)c1)C(c1ccccc1)c1ccccc1 31379304 YBSHEZLVGWTHKB-MRXNPFEDSA-N 358.441 3.736 0 40 FHAB COC(=O)c1c(C)[nH]c(-c2ccc(F)cc2)c1[C@@H]1C(=O)Nc2ccccc21 101622441 HAGMOUHMWUWIJQ-QGZVFWFLSA-N 364.376 4.000 0 40 FHAB Cc1cc(C(=O)OCC(=O)NC2CCCCCCC2)c2ccccc2n1 2617251 YFENFGJFVHUUSI-UHFFFAOYSA-N 354.450 3.929 0 40 FHAB O=C(/C=C/c1ccco1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 2686412 VQLIHMFUAKRXFA-JLHYYAGUSA-N 374.462 3.543 0 40 FHAB COc1ccccc1OCC(=O)N1CCCC[C@H]1CCN1CCCCCC1 21148717 CQLYCVQJVCBCAY-IBGZPJMESA-N 374.525 3.721 0 40 FHAB CCNC(=S)N(Cc1ccco1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 878767 FUYXABHOTOKRMN-UHFFFAOYSA-N 369.490 3.635 0 40 FHAB Cc1cccc(NC(=O)CSCC(=O)N(C)[C@@H]2CCc3ccccc32)c1 37149139 RITVDMJONOADLC-LJQANCHMSA-N 368.502 3.813 0 40 FHAB COc1cccc(C(=O)CSc2nc3sc(C)c(C)c3c(=O)[nH]2)c1 1368195 ZDTDOEDFHKIMBZ-UHFFFAOYSA-N 360.460 3.585 0 40 FHAB CC[n+]1c(COCCOc2ccccc2)sc2cc3c(cc21)OCO3 1703115 DFMAOBBHFFKVFQ-UHFFFAOYSA-N 358.439 3.533 0 40 FHAB COc1ccc([C@@H](O)c2ccccc2[C@H](O)c2ccc(OC)cc2)cc1 1734089 DCINNCYBGGDENL-FGZHOGPDSA-N 350.414 3.867 0 40 FHAB CC[C@@H]1CCc2c(sc3nc(-c4ccc(C(=O)O)cc4)[nH]c(=O)c23)C1 2637186 XHGCRGNOUURQTN-SNVBAGLBSA-N 354.431 3.865 0 40 FHAB Cc1ccc(N(C(=O)Nc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1C 4158649 DQLXYODVSOFODU-GOSISDBHSA-N 358.463 3.529 0 40 FHAB COCCNc1c(-c2cc3cc(C)ccc3[nH]c2=O)nc2cccc(C)n12 4847645 GCAYFHOHVPCSRC-UHFFFAOYSA-N 362.433 3.518 0 40 FHAB CCc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)[nH]c(=O)c1C 4861222 MYFWKMXIZSNGDZ-UHFFFAOYSA-N 372.277 3.678 0 40 FHAB Cc1c(Cl)cccc1NC(=O)Cn1cnc2sc3c(c2c1=O)CCC3 6111259 SLIMKNMVPHWULR-UHFFFAOYSA-N 373.865 3.547 0 40 FHAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 6168192 GRFIIKJRASAQQI-GFCCVEGCSA-N 366.870 3.669 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC1=CC(=O)CC(C)(C)C1 6928915 YSNWQBFYGRNBDH-JTQLQIEISA-N 371.264 3.655 0 40 FHAB O=C(NCc1ccccc1Cl)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 7952197 GSCBVLMMWAYLFF-INIZCTEOSA-N 371.868 3.900 0 40 FHAB C[C@H](NC(=O)Nc1ccccc1N1CCc2sccc2C1)[C@H]1CCCO1 46971872 KGVRIDWCVNBBER-KBXCAEBGSA-N 371.506 4.000 0 40 FHAB COc1ccc(CN(C(=O)c2ccco2)c2ccccc2C(=O)O)cc1 704156 UNXFEVINPWKWSR-UHFFFAOYSA-N 351.358 3.833 0 40 FHAB O=C1N[C@H](CCc2ccccc2)C(=O)N1Cc1cccc(C(F)(F)F)c1 22705882 RTTMMSGVFRDCST-MRXNPFEDSA-N 362.351 3.759 0 40 FHAB O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc[nH]1 22787674 IJCGGKNNUIRQAQ-UHFFFAOYSA-N 359.473 3.605 0 40 FHAB C[C@H](Sc1nc(N)c2ccsc2n1)C(=O)NC1CCCCCC1 9647692 OMZYCWUYGMQXIM-JTQLQIEISA-N 350.513 3.593 0 40 FHAB Cc1cc(=O)oc2cc(OCc3noc(-c4ccco4)n3)c(Cl)cc12 23104829 ZATFPJCPASMXPD-UHFFFAOYSA-N 358.737 3.977 0 40 FHAB O=C(Nc1nncs1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 3181782 OMAGUMMQJPOOQN-UHFFFAOYSA-N 365.393 3.782 0 40 FHAB CN1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 25539173 ZILPXUMQLVRNAE-UHFFFAOYSA-N 366.896 3.940 0 40 FHAB FC(F)(F)c1cccc(N2CCN(Cn3cnc4ccccc43)CC2)c1 12556883 NRCKNHZUXHLSHG-UHFFFAOYSA-N 360.383 3.835 0 40 FHAB CCc1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)CCN3C(C)=O)cc1 12556296 XMQURAWWZIOPKW-AWEZNQCLSA-N 351.450 3.597 0 40 FHAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 24905836 DZPCPAQRAVTHRG-OAHLLOKOSA-N 357.841 3.534 0 40 FHAB COc1ccc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)cc1Cl 43331957 ICVSOLMEDUUVEB-AWEZNQCLSA-N 353.875 3.835 0 40 FHAB CC1CCN(C(=O)COC(=O)c2sc3ccccc3c2Cl)CC1 3234554 GJCCBDOJZIJBIU-UHFFFAOYSA-N 351.855 3.970 0 40 FHAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 55720614 SZUJMLBQMHMFPG-BUXKBTBVSA-N 374.387 3.732 0 40 FHAB O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1cccc(CN2CCCC2=O)c1 56998794 LDBIJAGVXDJMOI-LJQANCHMSA-N 368.864 3.880 0 40 FHAB O=C(Nc1cccc2cccnc12)N(Cc1cccnc1)C[C@@H]1CCCO1 48056162 WMWPJOOMTOXAPN-SFHVURJKSA-N 362.433 3.843 0 40 FHAB Cc1cc(=O)n(CC(=O)Nc2cccc(C)c2C)c(-c2ccc(F)cc2)n1 57477795 BJZFYHRYDNVCJK-UHFFFAOYSA-N 365.408 3.613 0 40 FHAB O=c1cc(-c2ccco2)[nH]c2nc(SCc3ccccc3Cl)nn12 101981600 LCHIMGDVTUNWJK-UHFFFAOYSA-N 358.810 3.623 0 40 FHAB O=C(Nc1nccs1)C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 44454678 NBPBJZSOVRPZBM-UHFFFAOYSA-N 373.522 3.537 0 40 FHAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1ccc(F)cc1F 3330235 FNYPXYODCYGXER-UHFFFAOYSA-N 354.356 3.829 0 40 FHAB OCCn1c(CN2CC=C(c3ccccc3)CC2)nc2ccc(Cl)cc21 58149246 CNPUYKRQWBXZLL-UHFFFAOYSA-N 367.880 3.971 0 40 FHAB CSc1ccccc1NC(=O)c1cn2c3c(cccc3c1=O)CCC2 22235471 OXPCYAAEDFNQAE-UHFFFAOYSA-N 350.443 3.922 0 40 FHAB CCOc1ccc(-c2nc(CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cs2)cc1 12794699 SHZMBJQEJNVKOF-IAGOWNOFSA-N 368.458 3.660 0 40 FHAB O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1ccc(F)cc1 2364932 RDJUTIGNZIMHJW-UHFFFAOYSA-N 373.387 3.841 0 40 FHAB COc1ccc(C(=O)Nc2ncc3c(n2)C[C@@H](c2ccccc2)CC3=O)cc1 2422625 RZUMIPFQGJEFRV-MRXNPFEDSA-N 373.412 3.650 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)COc1cccc(N2CCCC2=O)c1 12801832 YYDRPXSQCMDTOK-UHFFFAOYSA-N 358.825 3.793 0 40 FHAB O=C(Nc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1)C1CC1 3534330 XCBWHTCGISYFOJ-UHFFFAOYSA-N 356.381 3.989 0 40 FHAB O=c1cc(CN(Cc2ccccc2)C(=S)NC2CC2)c2ccccc2[nH]1 13721675 IYWIFQUOICROOX-UHFFFAOYSA-N 363.486 3.567 0 40 FHAB COc1ccc(OC)c(C2=Nn3c(nnc3-c3ccccc3C)SC2)c1 5123692 LRXJVBMZSZBHFH-UHFFFAOYSA-N 366.446 3.629 0 40 FHAB CCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 8917164 GKJATVRNGUTWQZ-GFCCVEGCSA-N 371.368 3.680 0 40 FHAB O=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccc(Cl)s1 9016129 OONJMJQLTFEWTB-UHFFFAOYSA-N 360.247 3.799 0 40 FHAB COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)cc2)c1 14022276 MAHYTVXYQVDXKH-LLVKDONJSA-N 363.797 3.541 0 40 FHAB CCCCN(C)C(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 14249664 LAJSBFDGXNDJBY-UHFFFAOYSA-N 374.506 3.774 0 40 FHAB COc1cc([C@H]2C3=C(Nc4ncnn42)c2ccccc2CCC3)ccc1O 6590512 FPBTXFZKFWGNFP-FQEVSTJZSA-N 360.417 3.755 0 40 FHAB O=C(Cn1c(-c2cncs2)nc2ccccc21)NCc1ccc(F)cc1 4624222 YYAUREUHZDZISS-UHFFFAOYSA-N 366.421 3.615 0 40 FHAB O=C(O)c1ccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 4695771 WAVGPZLUXBKCTG-UHFFFAOYSA-N 374.396 3.567 0 40 FHAB Cc1ccc2[nH]c(S[C@@H](C(=O)N3CCOCC3)c3ccccc3)nc2c1 6649729 GVWCTOGDMPUMHZ-GOSISDBHSA-N 367.474 3.564 0 40 FHAB CC(=O)Oc1ccc(-c2csc(Nc3ccc(C(=O)O)c(O)c3)n2)cc1 4711778 KWGGQVVXDVACPR-UHFFFAOYSA-N 370.386 3.883 0 40 FHAB Cc1cccc(NCN2C(=O)S/C(=C\c3ccc4c(c3)OCO4)C2=O)c1 6755814 UHQCIFDZMKKGBW-MFOYZWKCSA-N 368.414 3.830 0 40 FHAB Cc1cc(C(=O)COC(=O)CCc2ccsc2)c(C)n1-c1nccs1 7556296 QDCYIMSDLLLGQN-UHFFFAOYSA-N 374.487 3.971 0 40 FHAB O=C(CSc1ccccc1F)NC[C@@H](c1ccccc1)N1CCCC1 7652042 APBWPQTXLNIEIN-SFHVURJKSA-N 358.482 3.871 0 40 FHAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CCCC1 7785996 JGSGZSNJLFMEJU-UHFFFAOYSA-N 358.463 3.626 0 40 FHAB CCN(CC)C(=S)S[C@H](C)C(=O)N[C@@H]1CCCc2ccccc21 7980064 NELQUEVWFPYVED-CZUORRHYSA-N 350.553 3.929 0 40 FHAB CNc1snc(C)c1C(=O)O[C@@H](C)c1nnc(-c2cccc(C)c2)o1 16553161 LAEMXYCJLHTLTQ-NSHDSACASA-N 358.423 3.770 0 40 FHAB CCCn1nc(NC(=O)c2cccnc2)c2cc3cc(OC)ccc3nc21 9358696 QPYOAIGIWHSPRZ-UHFFFAOYSA-N 361.405 3.650 0 40 FHAB CC(C)c1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1Cl 71973984 WLRYYNASTAOHRJ-UHFFFAOYSA-N 353.827 3.962 0 40 FHAB C1=NN2C(SCc3nnc(-c4ccco4)o3)=Nc3ccccc3[C@@H]2C1 8429182 OHPDBWOUQFJVIV-ZDUSSCGKSA-N 351.391 3.997 0 40 FHAB O=C(Cc1ccc(N2CCCC2=O)cc1)N[C@@H]1CCSc2ccccc21 9478400 DUEKXEYSHLNVTH-GOSISDBHSA-N 366.486 3.709 0 40 FHAB C[C@@H]1CC[C@H]2C(=O)N(c3ccccc3OC(=O)c3ccccc3)C(=O)[C@@H]2C1 17986656 UZWHLOJRFBMUGX-DJIMGWMZSA-N 363.413 3.831 0 40 FHAB O=C(COc1ccc(Cl)cc1)Nc1nnc(CCc2ccccc2)s1 27757390 KGFQTAJGNHWTAX-UHFFFAOYSA-N 373.865 3.994 0 40 FHAB c1ccc(-c2cc(CN3CCC[C@@H](c4nnc5ccccn45)C3)on2)cc1 76395777 RNRPSHBTBBNLCS-QGZVFWFLSA-N 359.433 3.764 0 40 FHAB O=C(/C=C/c1csc(-c2ccc(F)cc2)n1)N1CCC[C@@H]2COCC[C@@H]21 95410797 RJVRLQFJZYVXOX-ZIEDNJRCSA-N 372.465 3.990 0 40 FHAB CCOCc1c(-c2ccccc2F)c2cc3c(cc2[nH]c1=O)OCCO3 98086841 KCIMYJXBVYVMRR-UHFFFAOYSA-N 355.365 3.642 0 40 FHAB Cc1nccn1-c1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 20043826 PSCJTGSOHBUXSY-CQSZACIVSA-N 369.852 3.918 0 40 FHAB O=C(NCCn1ccc2ccccc21)c1cccc(Nc2ncccn2)c1 79490457 QVAKMNRILVOSCL-UHFFFAOYSA-N 357.417 3.605 0 40 FHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(-n2ccnc2)cc1 20459908 DIEISJKTXHIHTC-NRFANRHFSA-N 363.461 3.963 0 40 FHAB COc1ccccc1N1C(=O)C[C@@H](Nc2ccc(Cl)c(Cl)c2)C1=O 36635602 DTWGZAXGTWPSRF-CYBMUJFWSA-N 365.216 3.746 0 40 FHAB CC(C)Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccncc1 409109030 ZTKOMUZJDAOYJX-UHFFFAOYSA-N 367.478 3.727 0 40 FHAB COCCCN1C(=O)S/C(=C/c2cccn2-c2cccc(C)c2)C1=O 409224395 HLKRBDHOOHPHEI-GHRIWEEISA-N 356.447 3.859 0 40 FHAB O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1cccnc1Cl 408623262 SEAORPGNRPDHOX-UHFFFAOYSA-N 367.771 3.860 0 40 FHAB C[C@H]1C[C@@H](OC[C@H](O)CN2C(C)(C)CC(O)CC2(C)C)CC(C)(C)C1 35031474 DBIRBMRBTJPLEL-CGTJXYLNSA-N 355.563 3.593 0 40 FHAB CCNc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72213113 BSRGICARPURHMR-GOSISDBHSA-N 359.495 3.738 0 40 FHAB COc1ccc(CCC(=O)Nc2ccnn2C2CCCCC2)cc1OC 32969252 JRBOYVXKPSTQMU-UHFFFAOYSA-N 357.454 3.977 0 40 FHAB Cc1cc(C)cc(NC(=O)C[C@H]2C(=O)N(C3CC3)c3nc4ccccc4n32)c1 39964141 RESLLQDWJAGCOD-IBGZPJMESA-N 374.444 3.732 0 40 FHAB O=C(c1cnc2n1CCCC2)N1CCCC[C@@H]1c1nc2ccccc2o1 558717975 DBUASDAPXAMSMT-OAHLLOKOSA-N 350.422 3.728 0 40 FHAB O=C(O)c1c(NS(=O)(=O)c2ccccc2Cl)sc2c1CCCC2 36624732 DIKASPZKNNUUMB-UHFFFAOYSA-N 371.867 3.779 0 40 FHAB COC(=O)c1cccc(NC(=O)Cc2cccc(Br)c2)c1C 225615598 UMYZIYAGVYRKSN-UHFFFAOYSA-N 362.223 3.725 0 40 FHAB COc1ccc(CCNC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1 42926836 FSTDILUEBPIPMZ-LJQANCHMSA-N 366.465 3.811 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)Cn1ccc(=O)c2cc(Cl)ccc21 225725364 QYHIUVGAKUGGCG-HNNXBMFYSA-N 368.864 3.792 0 40 FHAB COc1ccc([C@@H](C)NC(=S)Nc2ccc(N3CCCC3=O)cc2)cc1 225465749 TYOPNSATGDIIPV-CQSZACIVSA-N 369.490 3.870 0 40 FHAB COC[C@H](C)NC(=O)c1ccc(OC)c(COc2ccc(Cl)cc2)c1 224164512 MQXNYYKLUZSTAI-ZDUSSCGKSA-N 363.841 3.692 0 40 FHAB O=Cc1ccc(OCc2nc(-c3ccccc3Br)no2)cc1 89262941 AUMHYTNNFKIMBV-UHFFFAOYSA-N 359.179 3.891 0 40 FHAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225052536 ZFCMNQMEZQVXDH-GFCCVEGCSA-N 356.447 3.568 0 40 FHAB Cn1c(C2CCN(C(=O)Cn3ccc4ccccc43)CC2)nc2ccccc21 96232750 RUSOOSRTEQNVHB-UHFFFAOYSA-N 372.472 3.934 0 40 FHAB Cc1ccn(C[C@H](C)C(=O)N[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)n1 257367438 RUXDNAHKRRJWBA-IWUPYOBGSA-N 351.494 3.916 0 40 FHAB CC(C)(C)OC(=O)N[C@H]1CCCN([C@@H](C(=O)O)c2cc3ccccc3o2)C1 255975970 HDNYGKNQOPVAMD-WMLDXEAASA-N 374.437 3.548 0 40 FHAB Cc1ncsc1CN1CCO[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257284602 PDKSODOJTHSTQO-KRWDZBQOSA-N 373.453 3.743 0 40 FHAB O=C(NC[C@H]1CCc2ccccc21)NC1CCN(Cc2ccccc2)CC1 111419604 UQTNZHFYVLWACN-HXUWFJFHSA-N 363.505 3.680 0 40 FHAB O=C(NCCCc1cc2ccccc2o1)C(=O)Nc1ccccc1Cl 390830151 JDOFRKXGQBWWST-UHFFFAOYSA-N 356.809 3.774 0 40 FHAB O=C(O)c1ccc(CN2CCC(Cc3nc(C4CCC4)no3)CC2)c(F)c1 629373980 RLRMPXASPFSUJX-UHFFFAOYSA-N 373.428 3.629 0 40 FHAB COC1(CNC(=O)c2ccc(Br)o2)C2CC3CC(C2)CC1C3 96123863 FWMJOQXGJYGZIA-UHFFFAOYSA-N 368.271 3.613 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)OC(C)C)n1-c1ccccc1 5883181 WVAXUWDVVRIKJT-UHFFFAOYSA-N 357.435 3.879 0 40 FHAB CCOc1ccc(-c2nonc2NC(=O)c2ccccc2OCC)cc1 12062608 YIOUXVVBKMZKMO-UHFFFAOYSA-N 353.378 3.786 0 40 FHAB CCC[C@@H](NC(=O)c1cc2ncc(C(C)=O)c(C)n2n1)c1cccs1 12199994 ZOHAPOPIHUAFJS-CQSZACIVSA-N 356.451 3.573 0 40 FHAB O[C@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc(Cl)cc1 12329731 AFKAZPMURQQVBP-RTBURBONSA-N 373.880 3.724 0 40 FHAB CC(C)CCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccco1)C3 13634266 QRYJAAOTPDELQG-LBPRGKRZSA-N 356.451 3.768 0 40 FHAB CSc1ccc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 13670488 XROIGXDIQXAJKA-INIZCTEOSA-N 363.504 3.989 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C 13685738 PKJJJCQEKBYOMG-MRXNPFEDSA-N 354.450 3.849 0 40 FHAB O=C(c1ccc2ccccc2c1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 14197989 CBFRLQFWHLEKEN-UHFFFAOYSA-N 372.468 3.733 0 40 FHAB O=C1N/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1ccccc1F 4498249 QLJLKUNAWVFFND-OQLLNIDSSA-N 364.298 3.937 0 40 FHAB CCOC(=O)c1c([S@](C)=O)nc2c(C(F)(F)F)cccc2c1Cl 4286970 XXPVZFVXSGUBLD-HSZRJFAPSA-N 365.760 3.821 0 40 FHAB C[C@H]1Cc2cc([C@@H](O)CN3CC=C(c4ccc(F)cc4)CC3)ccc2O1 12361268 JBVMJBKSIHWTQO-BTYIYWSLSA-N 353.437 3.972 0 40 FHAB Cc1ccccc1-c1noc(CN2CCO[C@@]3(CCc4ccccc43)C2)n1 677072998 ZVOAGLBLUNLMSD-QFIPXVFZSA-N 361.445 3.719 0 40 FHAB Cc1ccccc1Nc1nc([C@@]2(C)C[C@]3(C[C@H](C)OC3=O)C(=O)O2)cs1 9242435 ZCVUCXZVBWBEDO-RQUSPXKASA-N 372.446 3.679 0 40 FHAB Cc1cc(OC2CCN(C(=O)CCSc3ccccc3)CC2)nc(C)n1 390826068 ARBDWWQENRQOCO-UHFFFAOYSA-N 371.506 3.646 0 40 FHAB C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(S(C)(=O)=O)cc1 10967568 AASHBOUKPRMCQG-HNNXBMFYSA-N 367.470 3.663 0 40 FHAB CSc1ncc(C)c(OCC2CCN(Cc3csc(C)n3)CC2)n1 1888870281 ZLNCPDUOULPFOU-UHFFFAOYSA-N 364.540 3.563 0 40 FHAB CCn1ncc(Br)c1C(=O)Nc1cccc(Br)c1 28304376 VTNWFCIQHJPNNO-UHFFFAOYSA-N 373.048 3.680 0 40 FHAB Cc1ccc(CN2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)cc1 2037838749 ZZUPRWOXXAKMCX-UHFFFAOYSA-N 368.452 3.532 0 40 FHAB Cc1csc(C(=O)N2CCC[C@@]3(CCCN(Cc4ccccn4)C3)C2)c1 2056224492 KNFKJNXFYFNBLN-OAQYLSRUSA-N 369.534 3.970 0 40 FHAB COc1ccc(C2=Nn3c(nnc3-c3cccc(Cl)c3)SC2)cc1 5069799 HPWKJVHFYZGDDW-UHFFFAOYSA-N 356.838 3.965 0 40 FHAB CC(C)Oc1ccc(C(=O)NCCc2ccc3c(c2)CCCN3C)cc1 13006641 MWMLGRSMNFIEHE-UHFFFAOYSA-N 352.478 3.829 0 40 FHAB COc1ccc(CCC(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CC3)cc1 13695869 PJRFTDVAZBWFEM-UHFFFAOYSA-N 364.445 3.566 0 40 FHAB Cc1ccccc1Cn1cc(C(=O)Nc2cc(F)ccc2F)ccc1=O 15882974 LZTJSVKKHHHCFK-UHFFFAOYSA-N 354.356 3.736 0 40 FHAB Cc1cccc(OCC(=O)NCc2cc(-c3ccc(F)cc3F)on2)c1 17135456 LRHODEDISMWQQI-UHFFFAOYSA-N 358.344 3.623 0 40 FHAB O=C(N1CC[C@@H](Oc2ccncn2)C1)N(c1ccccc1)c1ccccc1 575609888 ABAXETZEIAUJAZ-LJQANCHMSA-N 360.417 3.888 0 40 FHAB CCOC(=O)c1oc2ccccc2c1NC(=O)COc1ccc(OC)cc1 4162662 DRIRYUXQIWFIHZ-UHFFFAOYSA-N 369.373 3.636 0 40 FHAB CCc1nc(CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cs1 40116439 ZUQYHOSBLKWVQB-FQEVSTJZSA-N 371.506 3.970 0 40 FHAB C[C@@H](NC(=O)c1cn(-c2ccccc2Br)nn1)c1ccccc1 31872051 GYBARPKPWQLJJI-GFCCVEGCSA-N 371.238 3.521 0 40 FHAB COc1cc(C(=O)N[C@@H]2CCSc3ccccc32)cc(OC)c1OC 18134115 XTNIMYYNIYTVNJ-CQSZACIVSA-N 359.447 3.679 0 40 FHAB CC(C)c1nc2ccccc2c2nnc(SCC(=O)N3CCCCC3)n12 1327734 HKSBANKHNPGPGO-UHFFFAOYSA-N 369.494 3.506 0 40 FHAB O=S(=O)(c1ccccc1)[C@H]1[C@@H]2c3ccccc3[C@@H](O)[C@H]1c1ccccc12 1712209 SBOBQHDNOZJZQP-CBPXPLCBSA-N 362.450 3.805 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 2923388 OKEYNJDYPZXACJ-GOSISDBHSA-N 368.433 3.743 0 40 FHAB O=C(CCn1c(=O)oc2ccccc21)N(Cc1ccccc1)c1ccccn1 4057150 MISLIQSHAZNECS-UHFFFAOYSA-N 373.412 3.613 0 40 FHAB Cc1cc(NC(=O)c2cc(Cl)ccc2F)ccc1N1CCN(C)CC1 32843491 RRYNIUUMJUKOLG-UHFFFAOYSA-N 361.848 3.792 0 40 FHAB Cc1csc(=O)n1CCC(=O)OCc1cc2ccccc2nc1Cl 6604754 DETRNSJNDZACBQ-UHFFFAOYSA-N 362.838 3.553 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)c(C)c1 8041483 QFXQYAOBGRYQRY-MRXNPFEDSA-N 354.450 3.848 0 40 FHAB COc1ccc(-c2nnc([C@@H](C)OC(=O)c3cccc(N(C)C)c3)o2)cc1 8098248 PSXRHANJPMVEQB-CYBMUJFWSA-N 367.405 3.729 0 40 FHAB COc1cc(NC(=O)CNc2cccc(Br)c2)cc(OC)c1 8725887 LWFSUAXRBPNFRC-UHFFFAOYSA-N 365.227 3.517 0 40 FHAB C[C@H](OC(=O)c1ccc2c3c(cccc13)CC2)C(=O)N1CCCCCC1 22004427 MBCUCIMYDNIGLM-HNNXBMFYSA-N 351.446 3.886 0 40 FHAB CC[C@H]1CCCCN1CCCNC(=O)C1CCN(Cc2ccccc2)CC1 9062531 YSYQSXWEJBDDOP-QFIPXVFZSA-N 371.569 3.669 0 40 FHAB Cc1ccc([C@@](O)(CCNc2ncnc3sccc23)C(F)(F)F)o1 22406351 BRSQESRMDJKMKE-AWEZNQCLSA-N 357.357 3.845 0 40 FHAB O=C(Nc1nccs1)[C@@H]1CCCN(c2ccc(-c3cccs3)nn2)C1 23142917 VBKZUASVRHXZGF-GFCCVEGCSA-N 371.491 3.517 0 40 FHAB CCn1c(S[C@@H](C)C(=O)c2ccc(OC)c(OC)c2)nnc1C1CC1 58217047 MDNPCPSRAICCNU-NSHDSACASA-N 361.467 3.556 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)c1nn(-c2cccc(Cl)c2)nc1C 23116549 MBPKQOHSOYORIB-GFCCVEGCSA-N 370.840 3.729 0 40 FHAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(C[C@@H](O)c1ccc(Cl)cc1)C2=O 25044753 OOUVZXXMFQEFFT-KPAZRMRSSA-N 364.873 3.510 0 40 FHAB Cc1cc2nc3s/c(=C/c4c(C)n(C)c5ccccc45)c(=O)n3c2cc1C 59248773 XBQSZMXRPXAGGY-RGVLZGJSSA-N 373.481 3.874 0 40 FHAB O=C(CCn1nc(C(F)(F)F)cc1C1CC1)NCc1ccc(F)cc1 28229365 WWZCRXOZJWBHIM-UHFFFAOYSA-N 355.335 3.625 0 40 FHAB CC[C@H](C)[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)O 43735320 SBKQMWFYTHNZEP-BONVTDFDSA-N 366.870 3.622 0 40 FHAB Cc1cccc(C)c1OCCCn1c([C@H](C)NC=O)nc2ccccc21 35145624 HXIIGWALSFAUEM-KRWDZBQOSA-N 351.450 3.929 0 40 FHAB COc1ccc(C(=O)c2ccccc2I)cc1F 35424036 AZIOPNCUWPRCBK-UHFFFAOYSA-N 356.134 3.670 0 40 FHAB CCOC(=O)[C@H]1CC(=O)N(c2ccc3oc(-c4ccccc4F)nc3c2)C1 57326965 SLFJEDQBHUNJOU-LBPRGKRZSA-N 368.364 3.550 0 40 FHAB COc1ccccc1OCCC(=O)OCC(=O)c1ccc(Cl)s1 3318221 HYOZHSQAFMPQOE-UHFFFAOYSA-N 354.811 3.605 0 40 FHAB CCCc1c(C(=O)NCc2ccc(-n3cccn3)cc2)[nH]c(C)c1C(C)=O 48288401 BAYJZZOSCNOXLJ-UHFFFAOYSA-N 364.449 3.594 0 40 FHAB Cc1onc(-c2ccccc2)c1C(=O)NC[C@@H](O)c1cccc(Cl)c1 58109456 UAQXIUZNCUPUNV-MRXNPFEDSA-N 356.809 3.767 0 40 FHAB O=C(CSCC(=O)N[C@@H]1CCc2ccccc21)Nc1ccc(Cl)cc1 12764541 QIKKVGZSFVGHEU-QGZVFWFLSA-N 374.893 3.815 0 40 FHAB C[C@H](NS(=O)(=O)/C=C/c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 28044970 OEFDEKSUBSTBRL-BUYIWHAFSA-N 370.474 3.686 0 40 FHAB O=C(CCCNC(=O)c1ccco1)Nc1ccc2c(c1)-c1ccccc1C2 12783101 HVUPDGVDIVARQT-UHFFFAOYSA-N 360.413 4.000 0 40 FHAB O=C1C[C@@H](c2ccc(C(=O)O)cc2)c2ncn(-c3cccc(Cl)c3)c2N1 36354099 KDZNANVEPBTBBE-HNNXBMFYSA-N 367.792 3.698 0 40 FHAB CCOc1ccc(N[C@@H](C)c2ccc(F)cc2)cc1S(=O)(=O)N(C)C 36397408 JMKBVUHJGDYBIJ-ZDUSSCGKSA-N 366.458 3.648 0 40 FHAB COc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)Nc3nc(N)nn32)cc1 2381582 IPTGSUCCXCGJAI-HOTGVXAUSA-N 355.829 3.669 0 40 FHAB COc1ccccc1-n1nnnc1SCCCC(=O)c1ccc(F)cc1 12820631 QCESHZKWCYECGU-UHFFFAOYSA-N 372.425 3.565 0 40 FHAB Cc1cc(C(=O)CSc2nnc(C(F)(F)F)n2C)c(C)n1C1CC1 3405542 HZDDCIDBQJIXMT-UHFFFAOYSA-N 358.389 3.562 0 40 FHAB O=C(CNC(=O)c1ccccc1F)OCc1c(Cl)cccc1Cl 3484655 FSEYXPBARFOSFA-UHFFFAOYSA-N 356.180 3.606 0 40 FHAB Cc1ccc(C(=O)OCc2csc(CC(=O)Nc3ccccc3C)n2)o1 3533702 SQEUROPZVCOSFI-UHFFFAOYSA-N 370.430 3.891 0 40 FHAB O=C([C@@H]1Cc2ccccc2O1)N1CCC[C@@H]1c1nc2ccccc2s1 12925921 LHEDJTXNRZDUEB-WBVHZDCISA-N 350.443 3.964 0 40 FHAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCc2ccccc21 12949941 JBHYKWGFAGIFOM-UXHICEINSA-N 366.461 3.741 0 40 FHAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1 12911741 UEIDNRIDDDTBKF-UHFFFAOYSA-N 366.461 3.894 0 40 FHAB C[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1cccc(C(F)(F)F)c1 9683359 PDPPXIAIVNRHLZ-BZNIZROVSA-N 351.324 3.723 0 40 FHAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 4073972 XZTUSOXSLKTKJQ-CIXPXFMPSA-N 374.521 3.604 0 40 FHAB biogenic,in-vitro CCN(CC)C(=O)CS[C@H]1c2ccccc2C(=O)N1c1ccccc1 4108985 KRXIZDBXQMZAJT-FQEVSTJZSA-N 354.475 3.947 0 40 FHAB C[C@H](NC(=O)Nc1cccnc1Cl)c1nc(-c2ccc(F)cc2)no1 64624245 GTAWPBROXLVAID-VIFPVBQESA-N 361.764 3.807 0 40 FHAB O=C(CSc1nnc2n1CCCCC2)Nc1cccc2ccccc12 6098144 MPWNXKFCCOBTLX-UHFFFAOYSA-N 352.463 3.889 0 40 FHAB Cc1ccccc1NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 6083063 UCNYGWCWFQOUCW-UHFFFAOYSA-N 367.474 3.743 0 40 FHAB CCCOc1nc2ccccc2nc1NS(=O)(=O)c1cccc(C)c1 5030189 LFWQPEKCFAYNBQ-UHFFFAOYSA-N 357.435 3.528 0 40 FHAB Sc1nnc(-c2ccc3ccccc3n2)n1-c1ccc2c(c1)OCCO2 9090031 IVODDBAZEHPKAK-UHFFFAOYSA-N 362.414 3.542 0 40 FHAB CSc1nnc(S[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)s1 14093373 DALGKHBQPIBPEV-GHMZBOCLSA-N 353.538 3.661 0 40 FHAB Oc1ccc(C2CCN(C[C@@H](O)COc3ccc(Cl)cc3)CC2)cc1 14180140 ZVJWMEVJRCJXDK-LJQANCHMSA-N 361.869 3.665 0 40 FHAB O=C(CCN1C(=O)CSc2ccccc21)Nc1cccc2ncccc12 14186087 PDDZQKGTBZZHCG-UHFFFAOYSA-N 363.442 3.702 0 40 FHAB CC[C@H](C)[C@@H](C(=O)N(C)Cc1ccc(C(=O)NC)cc1)c1ccccc1 14226260 OQRQBQAVZYDPPO-OXJNMPFZSA-N 352.478 3.835 0 40 FHAB COc1ccc(CNC(=O)c2sccc2NC(=O)c2ccccc2)cc1 5675820 MYDHVWRKVBZFFJ-UHFFFAOYSA-N 366.442 3.939 0 40 FHAB CCOc1ccc(OCCn2c([C@@H](C)NC(C)=O)nc3ccccc32)cc1 6840090 WMADAIDABHZLFR-OAHLLOKOSA-N 367.449 3.711 0 40 FHAB CN(C)c1ccc(NC(=O)[C@H](c2ccccc2)N2CCc3ccccc32)nc1 78612937 DSGDOTHHIKHUJI-QFIPXVFZSA-N 372.472 3.890 0 40 FHAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nnc(C2CC2)o1 7289900 LRRJHBRGSRYBHT-JTQLQIEISA-N 374.491 3.868 0 40 FHAB CCOc1c(Br)cc(C(=O)Nc2ncccc2C)cc1OC 9321960 YAXIOWUEWHLVPG-UHFFFAOYSA-N 365.227 3.812 0 40 FHAB Cc1csc([C@@](O)(CC(=O)N2c3ccccc3C[C@H]2C)C(F)(F)F)n1 67706917 KMYOSEDRMXOCTE-BZNIZROVSA-N 370.396 3.569 0 40 FHAB O=S(=O)(c1ccc2c(c1)CCC2)N(Cc1ccco1)Cc1ccco1 7309761 BQCDGPLOXIDRQM-UHFFFAOYSA-N 357.431 3.752 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3N3CCCC3)CC2=O)cc1 15934746 PDDFMXXRWAEABA-QGZVFWFLSA-N 363.461 3.587 0 40 FHAB CC[C@H](C)c1ccccc1NC(=O)Cn1nnc(-c2cccc(OC)c2)n1 8343287 FXGSOZDLRJOLGF-AWEZNQCLSA-N 365.437 3.501 0 40 FHAB CC[C@H](OC(=O)c1cc2ccc(F)cc2nc1C)C(=O)Nc1cc(C)on1 9836490 MBPRVGUOOGZJQH-INIZCTEOSA-N 371.368 3.553 0 40 FHAB CC(C)c1ccc(NC(=O)COCC(=O)N[C@@H](C)c2ccccc2)cc1 9851150 HHXHAPZOSCMAOH-INIZCTEOSA-N 354.450 3.643 0 40 FHAB O=C(NCc1cn2ccsc2n1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 84502063 ZAQRGZCSXPRORH-QWHCGFSZSA-N 365.380 3.835 0 40 FHAB O=C(Nc1cccc(OCC(F)(F)F)c1)N1CCCC[C@H]1c1nc[nH]n1 95468901 KNTPRDWCOGJXPO-ZDUSSCGKSA-N 369.347 3.505 0 40 FHAB CC[C@@H](C)[C@H](NC(=O)c1ccc(-n2ccnn2)cc1)c1nc2ccccc2[nH]1 89942222 VCBIFZYMRPESQV-KUHUBIRLSA-N 374.448 3.661 0 40 FHAB Cn1ccc2c1CN(Cc1ccccn1)Cc1cn(-c3ccccc3)nc1-2 306133981 NAXVIFNTZBQMJD-UHFFFAOYSA-N 355.445 3.789 0 40 FHAB Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2ccc3c(c2)OCCO3)cc1 173478995 KXEDIXJTMLVMAZ-GHTZIAJQSA-N 367.445 3.664 0 40 FHAB COc1ccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)cc1 32578660 BCRYPFZYZQSVKE-UHFFFAOYSA-N 367.405 3.886 0 40 FHAB CCC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1 217506219 MEQDOEZGDNZSPQ-CYBMUJFWSA-N 362.451 3.786 0 40 FHAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1F 30324387 ZHQUUQPTRCJNFL-CYBMUJFWSA-N 363.454 3.753 0 40 FHAB O=S(=O)(Cc1c(F)cccc1Cl)N[C@@H]1CCCc2ccccc21 38772373 BPPGEWSGDDWJLH-QGZVFWFLSA-N 353.846 3.976 0 40 FHAB Cc1ncc(C(=O)N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)[nH]1 568317461 WICDKFJACRGKHK-UHFFFAOYSA-N 353.344 3.637 0 40 FHAB CCSc1ccccc1NC(=O)CCCN1C(=O)c2ccccc2C1=O 44844935 AKZQEIRIAAKZHA-UHFFFAOYSA-N 368.458 3.814 0 40 FHAB CC(C)N(Cc1csc(C(=O)O)c1)Cc1nc(O)c2ccccc2n1 564575683 GLFMFOUURCNKJY-UHFFFAOYSA-N 357.435 3.506 0 40 FHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 225010568 ATXRRXJQVMSPDE-IAGOWNOFSA-N 370.468 3.700 0 40 FHAB COc1cccc(-c2cnc(CCC(=O)N3CCc4ccccc4C3)o2)c1 224849557 HUZAUBPNKHESFX-UHFFFAOYSA-N 362.429 3.868 0 40 FHAB O=C(NCC1(c2ccccc2)CC1)Nc1ccc(C(=O)N2CCCC2)cc1 44014285 PHJMTDZUTVWHQU-UHFFFAOYSA-N 363.461 3.776 0 40 FHAB CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 223999805 KKKQQGMUVNKAEO-UHFFFAOYSA-N 360.479 3.714 0 40 FHAB COc1cccc(C(=O)NCCCc2ccc(OC(C)C)cc2)c1OC 225048366 HRZGRWQPOMXMLI-UHFFFAOYSA-N 357.450 3.854 0 40 FHAB O=C(CCc1ccc(Cl)c(Cl)c1)NC[C@H]1COc2ccccc2O1 225283667 GKMXQWFOSRUPKZ-ZDUSSCGKSA-N 366.244 3.882 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 223669411 XTAGFRNVRXSVBE-LJQANCHMSA-N 366.505 3.708 0 40 FHAB CCOc1ccc(N(CC)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 224952395 UQRPUEIKRIYVGC-UHFFFAOYSA-N 369.870 3.963 0 40 FHAB CC[C@@H](C)[C@@H](C(=O)NCc1ccccc1F)N1Cc2ccccc2C1=O 41128104 YMYVRKIYLOMDRH-KUHUBIRLSA-N 354.425 3.513 0 40 FHAB COc1ccc(OC)c(S(=O)(=O)N(C)Cc2ccc(C(C)C)cc2)c1 223749707 ADTQRYHBOPAYDX-UHFFFAOYSA-N 363.479 3.648 0 40 FHAB Cc1ccc(CN2CCC[C@]3(COCCN(c4cccnc4)C3)C2)s1 96049552 TVCMRNMMMSHAMW-FQEVSTJZSA-N 357.523 3.571 0 40 FHAB CCS(=O)(=O)[C@@](C)(Br)C(=O)c1ccc(Cl)cc1Cl 96518649 HPTUPYKFLWGZAI-LLVKDONJSA-N 374.083 3.722 0 40 FHAB CC(C)c1c(NC(=O)N[C@]23C[C@@H]2COC3(C)C)cnn1-c1ccccc1 529084309 ZOMSRXBONIGGDH-JLTOFOAXSA-N 354.454 3.685 0 40 FHAB CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1ccc(C(F)(F)F)cc1)C2 96077049 OKOYSNCEMIXTOZ-SFHVURJKSA-N 368.399 3.713 0 40 FHAB Cc1ccccc1C(=O)N1CC[C@]2(C[C@H]2C(=O)Nc2cccc(F)c2)C1 96227246 WJOCFDGXEKMJNZ-RXVVDRJESA-N 352.409 3.625 0 40 FHAB Cc1cccc(Nc2nccnc2[C@@H]2CCCN(CC3CCOCC3)C2)n1 257306621 SVBKVVVQELVXHS-GOSISDBHSA-N 367.497 3.530 0 40 FHAB Cc1cccc(Nc2cc([C@H]3CCCN3C(=O)c3ncoc3C)ccn2)n1 257268033 MJYWCHHYDFFXNU-MRXNPFEDSA-N 363.421 3.802 0 40 FHAB CCCCn1cc(S(=O)(=O)N2C[C@@H](C(C)C)c3ccccc32)c(C)n1 1663141161 NRRWYAXJGQBCSQ-KRWDZBQOSA-N 361.511 3.940 0 40 FHAB COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c(C)c1C 605002153 REKNHOAMFIOUNI-QWHCGFSZSA-N 365.417 3.711 0 40 FHAB O=S(=O)(Nc1ccc2scnc2c1)c1ccc(Br)cc1 65614934 ZQORHTVBRJQMNL-UHFFFAOYSA-N 369.265 3.860 0 40 FHAB COC(=O)c1sc(N)c(C(=O)OC)c1CSc1ccc(Cl)cc1 5105500 HLQHOQZQZBMNPG-UHFFFAOYSA-N 371.867 3.849 0 40 FHAB Cc1ccc(NC(=O)CSc2nc(Cc3ccccc3)n[nH]2)cc1C 5518387 XSWAEBXRJICZAM-UHFFFAOYSA-N 352.463 3.743 0 40 FHAB COc1ccccc1[C@]1(O)CCCN(C(=O)c2[nH]c3ccccc3c2C)C1 12325475 NLYKQRFITHXSFY-QFIPXVFZSA-N 364.445 3.609 0 40 FHAB COc1ccc(OC[C@H]2[C@@H]3CC[C@@H](C3)N2C(=O)C2CCC(OC)CC2)cc1 12328753 WHXDNXKKSMEEFL-QOCRIUIZSA-N 373.493 3.659 0 40 FHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@H](C)Oc2ccccc2F)c1 19078615 STLWLEFDEUNCDD-KSSFIOAISA-N 373.424 3.974 0 40 FHAB Cc1ccc2[nH]cc([C@@H](O)CN3CCN(c4ccc(F)cc4F)CC3)c2c1 19220559 ZZITWIHZRZVKDX-NRFANRHFSA-N 371.431 3.610 0 40 FHAB O=c1cc([C@H]2CCCCN2Cc2ccccc2F)nc(-c2ccccn2)[nH]1 19349090 MVVQWKSLIORSQV-LJQANCHMSA-N 364.424 3.698 0 40 FHAB CCn1nc2c(c1C(=O)N[C@H](C)c1nc3ccccc3s1)CCCC2 19524102 YIUCMTHLFHRSDQ-GFCCVEGCSA-N 354.479 3.883 0 40 FHAB CCc1cccc2c(=O)c(CN3CCN(c4ccccc4)CC3)c(C)[nH]c12 19793693 GXZQHTSJULOMGC-UHFFFAOYSA-N 361.489 3.721 0 40 FHAB COc1ccc(S(=O)(=O)Oc2ccc(Br)cc2C)cc1 19943610 CVHVIRFULXFXRY-UHFFFAOYSA-N 357.225 3.534 0 40 FHAB O=C(N[C@@H]1CN2CCC1CC2)c1cc(Cl)cc2c1O[C@H]1CCCC[C@H]21 6091309 LDYMIBZOCSHLBG-OLMNPRSZSA-N 360.885 3.583 0 40 FHAB O=C(CCCSc1nc2ccccc2s1)NCCc1ccccn1 5699682 ZCECNZGWUQFRCU-UHFFFAOYSA-N 357.504 3.923 0 40 FHAB CCNC(=O)NC(=O)[C@H](Sc1ccc2ccccc2n1)c1ccccc1 5627536 ODKOHDWSQPZPIR-GOSISDBHSA-N 365.458 3.914 0 40 FHAB Cc1nc2cc(NC(=O)COc3cccc(Br)c3)ccc2o1 27013509 QXMLGJIWSHVLHC-UHFFFAOYSA-N 361.195 3.916 0 40 FHAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1cccc(F)c1 4305045 BBVMWNXYLUKSDX-IBGZPJMESA-N 350.393 3.953 0 40 FHAB O=C(CCc1csc(NC(=O)c2ccc(F)cc2)n1)NC1CCCC1 11835085 KQADBMKKOWXYRO-UHFFFAOYSA-N 361.442 3.526 0 40 FHAB O=S(=O)(/C=C/c1ccccc1)NCc1cccnc1-c1ccsc1 225648843 MSXCHCKNKZHPKU-FMIVXFBMSA-N 356.472 3.900 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](Oc2ccncc2Cl)C1 575613416 QMTLGUPQMZQYOH-HNNXBMFYSA-N 369.852 3.829 0 40 FHAB COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1C(C)(C)C 10434259 TUWWQRYASCFENG-UHFFFAOYSA-N 359.491 3.740 0 40 FHAB Cc1sc(-c2ccco2)nc1C(=O)OCCc1c[nH]nc1C(F)(F)F 40157154 CBGMNXJNZUXUKM-UHFFFAOYSA-N 371.340 3.853 0 40 FHAB COc1cccc(-c2nc(C)c(C(=O)NCCCCCC(=O)O)s2)c1 40285397 MGQBASJRSSPROB-UHFFFAOYSA-N 362.451 3.502 0 40 FHAB C[C@H]1CCCC[C@@]12NC(=O)N(Cc1ccc(Cl)c3cccnc13)C2=O 31645185 QZIMPHNSKJHCOZ-HXPMCKFVSA-N 357.841 3.889 0 40 FHAB CC(C)c1nc2cc(NS(=O)(=O)c3ccc4c(c3)CCO4)ccc2o1 46303821 LKHNTLGSDVUNCX-UHFFFAOYSA-N 358.419 3.687 0 40 FHAB CCc1ccccc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2 869750 ABTXHPZAOQALIM-UHFFFAOYSA-N 351.372 3.982 0 40 FHAB C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1cccc(F)c1 32755139 LNCDIZCATUBSAX-ZFWWWQNUSA-N 360.454 3.617 0 40 FHAB O=C(O)c1ccccc1C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 4966827 YDSHCEYOBPWFRU-UHFFFAOYSA-N 371.820 3.773 0 40 FHAB COc1ccc(-c2nc(CC(=O)NCCc3ccccc3)cs2)cc1 8112888 FUHGJXINVBGQPS-UHFFFAOYSA-N 352.459 3.720 0 40 FHAB CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 103717833 SKIKYVFNECDADB-AWEZNQCLSA-N 356.397 3.606 0 40 FHAB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)N3CCC(C)CC3)n2)cc1 8757216 GRPRHQIIJQFMGB-CQSZACIVSA-N 358.511 3.773 0 40 FHAB CCOC(=O)c1nnc(-c2ccc(C)cc2)nc1Oc1ccc(OC)cc1 3049360 UQQLQVGVVMIWLQ-UHFFFAOYSA-N 365.389 3.825 0 40 FHAB CC(=O)Nc1ccc(N[C@@H]2SC(=O)N(c3ccc(C)cc3)C2=O)cc1 1051255 QYBMTWNBNZWZNO-MRXNPFEDSA-N 355.419 3.591 0 40 FHAB Cc1cc([C@H](C)NC(=O)Nc2ccccc2OCCC(N)=O)c(C)s1 47878115 VBHWJQJEYYUOQN-LBPRGKRZSA-N 361.467 3.502 0 40 FHAB O=C1O[C@@H]2[C@@H](O1)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 104260726 FWSCOSIFECICKP-PFFCINGUSA-N 358.819 3.736 0 40 FHAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)NCc2sccc2C)c1 43977841 HBPSMSONKZMDJF-UHFFFAOYSA-N 373.478 3.765 0 40 FHAB CCc1cccc(NC(=O)c2cc(-c3ccc(OC)cc3OC)[nH]n2)c1 57412839 DQVQBBMISRTLFZ-UHFFFAOYSA-N 351.406 3.909 0 40 FHAB CCN(CC)[C@H](CNC(=O)Cc1coc(-c2ccccc2)n1)c1ccco1 58193166 KZUGGDHZVNRZIU-GOSISDBHSA-N 367.449 3.676 0 40 FHAB COc1ccccc1CNC1(Cc2cc(-c3ccc(F)cc3)on2)COC1 67897875 ZJYOECVUCAHFPX-UHFFFAOYSA-N 368.408 3.591 0 40 FHAB biogenic,in-vitro O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc2ccccc2c1 24114571 FTENFNUJOSINGL-JOCHJYFZSA-N 360.457 3.643 0 40 FHAB COc1ccc([C@@H](C)NC(=O)c2ccc(Cc3c(C)noc3C)o2)cc1 28243886 UFTPGGILDMONTM-GFCCVEGCSA-N 354.406 3.975 0 40 FHAB CN(C)CCn1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1 58440052 CJSHGCGODZOWFG-UHFFFAOYSA-N 360.889 3.549 0 40 FHAB CC(C)C(=O)Nc1ccc(CNC(=O)N2CCC(n3cccc3)CC2)cc1 58516297 JNOSCAXIGCNVKT-UHFFFAOYSA-N 368.481 3.629 0 40 FHAB Cc1nc2ccccc2n1CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1 10737264 UJAQRZYSTSYOMW-CYBMUJFWSA-N 357.841 3.582 0 40 FHAB O=C(c1cccc(-n2nccc2-c2ccccc2)c1)N1CCOC2(CCC2)C1 95451974 PFSVTURKMXZPKU-UHFFFAOYSA-N 373.456 3.934 0 40 FHAB CCC[C@@H](NC(=O)[C@H](C)OC(=O)c1ccc(C)c(O)c1)c1ccccc1 10981188 IFNDZMZNWONJEI-MAUKXSAKSA-N 355.434 3.904 0 40 FHAB COc1ccc([C@@H]2CCCN2CC(=O)N(C)C2CCC(C)CC2)c(OC)c1 12797447 KNKAQRGKCPNLHN-UHYCVJNDSA-N 374.525 3.878 0 40 FHAB C[C@@H](NC(=O)CNC(=O)Nc1ccccc1)c1ccc(Cl)cc1Cl 12751789 CEZRUVWBGQCBDE-LLVKDONJSA-N 366.248 3.992 0 40 FHAB Cc1ccc(CNC(=O)[C@H](C)Sc2nc(-c3cccs3)n[nH]2)cc1 8704557 UQQJXEJQTUFMGX-LBPRGKRZSA-N 358.492 3.639 0 40 FHAB CC(C)c1nnc2sc(COc3ccc(Br)cc3)nn12 8706349 BULZAJKSFVJTEN-UHFFFAOYSA-N 353.245 3.651 0 40 FHAB COc1cc(N)c(Cl)cc1C(=O)OCc1cc(=O)oc2cc(C)ccc12 3514209 IHEPRTUKZBMYEO-UHFFFAOYSA-N 373.792 3.703 0 40 FHAB COc1ccc(C(=O)N2CCCC2)cc1NC(=O)C1=C(Cl)CCCC1 62907090 UEHRDHJDBXIBNX-UHFFFAOYSA-N 362.857 3.937 0 40 FHAB COc1ccccc1[C@H]1CC(=O)N(c2ccccc2)c2c1sc(=O)n2C 49546075 NIMYTWNWDWLFTK-OAHLLOKOSA-N 366.442 3.656 0 40 FHAB Cc1ccc(NC(=O)COCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1Cl 13879860 VESUGRZOBNUSRC-SUYBPPKGSA-N 366.889 3.544 0 40 FHAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2CC)CC1=O 4385237 MKKPKXYQMQDVFS-INIZCTEOSA-N 352.434 3.639 0 40 FHAB Cn1ncc2c(Sc3nc4cc(Cl)cc(Cl)c4[nH]3)ncnc21 14223502 KPMYAXVFHOGPTI-UHFFFAOYSA-N 351.222 3.698 0 40 FHAB CC(C)CC(=O)NC(=S)Nc1ccc2oc(-c3ccncc3)nc2c1 4705269 MGXXBELOYIQWNN-UHFFFAOYSA-N 354.435 3.749 0 40 FHAB Cc1ccccc1C(=O)N1CCC(C(=O)N[C@H](C)c2ccccc2)CC1 7038614 XUNCNCPJURMWSQ-QGZVFWFLSA-N 350.462 3.725 0 40 FHAB O=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(c2cccc(Cl)c2)CC1 15679277 LWJROUCGDIAHJX-UHFFFAOYSA-N 366.852 3.693 0 40 FHAB Cc1ccc(-c2cc(NC(=O)CSc3nnc(C)n3C3CC3)on2)cc1 7617939 DDKOAJNVAKHJFR-UHFFFAOYSA-N 369.450 3.616 0 40 FHAB CCc1cc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)sc1C 16109220 YKSZIWVGDSRRFS-LLVKDONJSA-N 351.493 3.513 0 40 FHAB CCOc1cc([C@@H]2NC(=O)c3c(sc4c3CC[C@@H](C)C4)N2)ccc1O 17086091 TWHVGKKCNNLKPP-BMLIUANNSA-N 358.463 3.831 0 40 FHAB C[C@H](OC(=O)c1cccc2c1O[C@@H](C)[C@@H]2C)C(=O)NCc1ccc(F)cc1 8484904 IRBWDEQJIYBAIQ-IHRRRGAJSA-N 371.408 3.572 0 40 FHAB COCCCCCSc1nnc(-c2ccc(Cl)cc2Cl)n1N 78814368 OMEBKLHRFBECIE-UHFFFAOYSA-N 361.298 3.875 0 40 FHAB Cn1c(CNC(=O)CSCc2ccc(Cl)s2)nc2ccccc21 9466415 AXICSRNRJBNBFW-UHFFFAOYSA-N 365.911 3.838 0 40 FHAB CN(C)c1nnc(SCc2noc(-c3ccccc3Cl)n2)s1 83855470 GCUIBOHFKMATOR-UHFFFAOYSA-N 353.860 3.600 0 40 FHAB Cc1ccc(-c2noc(CNc3cc(Cl)ccc3C(N)=O)n2)cc1F 73602423 CDRAEVQUHOFCDZ-UHFFFAOYSA-N 360.776 3.549 0 40 FHAB Cn1nc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1C1CC1 75147581 XVJZDSXHNNVVFJ-UHFFFAOYSA-N 360.389 3.952 0 40 FHAB CC(=O)Nc1ccc(CC(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)cc1 75106055 PKQKSNDIAIYPCY-ZSEKCTLFSA-N 354.425 3.766 0 40 FHAB COC(=O)c1ccoc1CSc1nc(O)c2ccc(Cl)cc2n1 75148430 QUGSORNTCLKFKE-UHFFFAOYSA-N 350.783 3.661 0 40 FHAB O=C(N1CCC[C@@H](Cn2ccnn2)C1)C1(c2cccc(F)c2)CCCCC1 89774851 NUVKMJJMBKAJNZ-QGZVFWFLSA-N 370.472 3.558 0 40 FHAB CCCOc1ccc(CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)cc1 89960300 CHHCLAUQSHOPFH-HXUWFJFHSA-N 356.397 3.582 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CC=C(c3ccc(O)cc3)CC2)c1C 25680223 QBZZGCXFPWFXPW-OAHLLOKOSA-N 366.461 3.900 0 40 FHAB Cc1cc(C)cc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c1 23680600 JVMZUMFDNDIFAG-UHFFFAOYSA-N 374.396 3.945 0 40 FHAB c1ccc(CN2C[C@@]3(CCN(Cc4ccccn4)C3)c3ncccc32)cc1 306136813 QEAYMPSBBAERBQ-QHCPKHFHSA-N 356.473 3.641 0 40 FHAB C[C@@H](c1ccccc1)c1cc(C(=O)N2CC[C@@H](Nc3ccccc3)C2)n[nH]1 528401315 ATLDOTXEOIKVFP-QFBILLFUSA-N 360.461 3.888 0 40 FHAB Cc1nccn1-c1cccc(C2CCN(C(=O)Cc3ccccc3)CC2)n1 72378892 ZZBCODYQIBBUIQ-UHFFFAOYSA-N 360.461 3.524 0 40 FHAB CN(C)C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 30499422 SXUARMCGBUAINX-IBGZPJMESA-N 360.523 3.565 0 40 FHAB CC1(C)Cc2ccc(Cl)c(NC(=O)NC[C@@H]3CCc4nccn4C3)c2O1 555848239 JPHYODPVOCLXHT-LBPRGKRZSA-N 374.872 3.634 0 40 FHAB CCN(Cc1cccc(F)c1)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 39981695 DSMFWOLQRNSFDW-UHFFFAOYSA-N 364.461 3.821 0 40 FHAB C[C@H](C1CC1)N(CCS(=O)(=O)Oc1ccccc1)Cc1ccccc1 39976564 PAIPHLIGGCNXDD-QGZVFWFLSA-N 359.491 3.696 0 40 FHAB COc1ccc(-c2cc(C(=O)N3CCC(C)CC3)c3cnn(C)c3n2)cc1 36613503 RGOMTXWWEIKNJS-UHFFFAOYSA-N 364.449 3.516 0 40 FHAB CCC(C)(C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1 224201317 DTWJSMNVRYHXOP-UHFFFAOYSA-N 374.506 3.739 0 40 FHAB Cc1ccc(C)n1CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1C 575444018 QBWHJXNUMWXNAG-LJQANCHMSA-N 350.466 3.745 0 40 FHAB Cc1cccc(-c2noc(CNC(=O)Cc3ccc(Cl)cc3F)n2)c1 225839641 VXUVOGIDLZKAAM-UHFFFAOYSA-N 359.788 3.696 0 40 FHAB COC1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCCC1 225625934 CXFGOFQSNIGRQJ-UHFFFAOYSA-N 360.498 3.695 0 40 FHAB O=C(NCc1cc(F)cc2c1OCOC2)[C@H]1CC[C@@H]1c1ccc(F)cc1 528361775 AVWWVZVFBOBWPI-MSOLQXFVSA-N 359.372 3.641 0 40 FHAB C[C@@H](CO)NC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 40103610 VXDOQEYYIRLZFV-NSHDSACASA-N 365.227 3.744 0 40 FHAB COc1ccccc1NC(=O)Nc1ccc(OC2CCN(C)CC2)cc1 225769951 ZYTSFEMOFWCULJ-UHFFFAOYSA-N 355.438 3.812 0 40 FHAB Cc1cccc(N2CCC3(CC2)C[C@@H](N(C)Cc2ccccc2)CO3)n1 96073281 HEQBTKKOHXGJFS-HXUWFJFHSA-N 351.494 3.650 0 40 FHAB COCCC(=O)N[C@@H]1C[C@H](c2ccc(Cl)c(F)c2)O[C@@H]2CCC[C@@H]12 257333983 YDZYWGIEGZUMPY-WBQNTZJQSA-N 355.837 3.631 0 40 FHAB O=C(Cc1ccsc1)N1CCC[C@@H]1c1cccc(CN2CCCC2)n1 257334489 YGEDJUUGJLUFRZ-LJQANCHMSA-N 355.507 3.645 0 40 FHAB O=C(c1ccccc1)N1CCC(c2cccc(Nc3cnccn3)n2)CC1 257312068 UMJGISLGJQLETF-UHFFFAOYSA-N 359.433 3.635 0 40 FHAB CCC(=O)N1CC[C@@H](NCc2ccc(-c3scnc3C)cc2)[C@@H](C)C1 1616044660 OIJPSHGOWLSDCE-KBXCAEBGSA-N 357.523 3.855 0 40 FHAB Cc1cnc(N=c2cncc(C3CCN(Cc4ccccc4)CC3)[nH]2)s1 585262627 KQTPEBCUTAQCRH-UHFFFAOYSA-N 365.506 3.787 0 40 FHAB O=C(c1ccc(-n2cc[nH]c2=S)cc1)N1CCC[C@H]1c1ccccn1 55523778 HVYMUOLIWVMONN-KRWDZBQOSA-N 350.447 3.907 0 40 FHAB CN(C(=O)Cc1ccc(N2CCOC2=O)cc1)C(C)(C)c1ccccc1 585081567 OBRAULXKUHVJPZ-UHFFFAOYSA-N 352.434 3.579 0 40 FHAB O=C(CCNC(=O)c1ccccc1Cl)Nc1nc2ccccc2s1 3364308 NERVUMPWNAROJF-UHFFFAOYSA-N 359.838 3.708 0 40 FHAB Cc1nnc(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)s1 5053941 OGZDPWGHWFEXPG-SNVBAGLBSA-N 351.522 3.856 0 40 FHAB COc1ccc(C(=O)CSc2nnc(-c3ccccc3C)n2C)cc1 5209943 LWBSCBZYYQRHKA-UHFFFAOYSA-N 353.447 3.774 0 40 FHAB CCN(CC)CCNC(=O)c1cc2cc(Br)ccc2s1 5672148 ZYYLLLUVNOGFKZ-UHFFFAOYSA-N 355.301 3.735 0 40 FHAB O=C(c1ccco1)N1C[C@H]2CC[C@](O)(c3cccc(C(F)(F)F)c3)[C@H]2C1 12123582 LJLQCHNPJBEFMX-MRAWALMUSA-N 365.351 3.668 0 40 FHAB Cc1cc(C)n([C@H](C)C(=O)Nc2cccc(CN3CCC(C)CC3)c2)n1 19716903 LEBRIFQGDKUGRI-GOSISDBHSA-N 354.498 3.932 0 40 FHAB Cc1cccc(C(=O)N[C@H](C(=O)NCCc2ccc(Cl)cc2)C(C)C)c1 2661372 DXTVPMDEHYYPHE-IBGZPJMESA-N 372.896 3.762 0 40 FHAB CC(C)(C)n1nc2c(c1NC(=O)c1ccc3ccccc3c1)C[S@@](=O)C2 2725167 OAHMCHUOARDYDJ-SANMLTNESA-N 367.474 3.806 0 40 FHAB COCC(=O)Nc1c(C(=O)Nc2ccc(C)c(C)c2)oc2ccccc12 4353821 QRKMLRFCEZVUHV-UHFFFAOYSA-N 352.390 3.887 0 40 FHAB Cc1ccc([C@@H](CNC(=O)c2ccccc2Br)N(C)C)cc1 10328906 PMLJANYOAVCJIQ-QGZVFWFLSA-N 361.283 3.790 0 40 FHAB CCCCCOc1ccc(C(=O)Nc2nc3c(s2)CN(C)CC3)cc1 15880107 YIVKYEBNOIQJBN-UHFFFAOYSA-N 359.495 3.952 0 40 FHAB CCc1nc2sc([C@H](c3ccc(C)cc3)N3CCCCC3)c(O)n2n1 22853079 NPUMRJIJMMRYSM-INIZCTEOSA-N 356.495 3.943 0 40 FHAB O=C(NC[C@H](c1cccs1)N1CCOCC1)Nc1cccc(Cl)c1 23105664 WNNAWRDDHDRETD-OAHLLOKOSA-N 365.886 3.597 0 40 FHAB COc1cccc2cc(C(N)=O)/c(=N/c3ccc(C(F)(F)F)cc3)oc12 5527535 KSISVVYZKZSMIE-QJOMJCCJSA-N 362.307 3.792 0 40 FHAB CC(C)c1nc2c3ccccc3n(CCCOc3ccccc3)c(=O)n2n1 40139307 BACQXWOHZCWQMD-UHFFFAOYSA-N 362.433 3.637 0 40 FHAB CCCCC1CCC(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)CC1 31040388 DLPUAIFTZKDIRH-UHFFFAOYSA-N 360.498 3.997 0 40 FHAB Cc1ccc(-n2c(S[C@H]3CCOC3=O)nnc2-c2ccccc2F)cc1 2640154 COUXBACAJKBRET-INIZCTEOSA-N 369.421 3.789 0 40 FHAB Cc1ccc(C)c(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)c1 853571 UQFOQQVUNWGYBI-UHFFFAOYSA-N 363.446 3.854 0 40 FHAB Cn1c([C@](O)(c2ccccc2)[C@H](O)c2cccs2)nc2ccccc21 860933 WUPIIIBPMPXSOP-QUCCMNQESA-N 350.443 3.604 0 40 FHAB Cc1ccc(C)c(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)c1 1365623 LHDAIRJFJRJHMY-UHFFFAOYSA-N 357.498 3.996 0 40 FHAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(OC(F)(F)F)cc1 2652290 GUFGTBFKAKAPMO-UHFFFAOYSA-N 367.323 3.998 0 40 FHAB COCCn1c(SCC(=O)c2cc(C)n(C3CC3)c2C)nc(C)c1C 32894000 UGNOVHSRYILASZ-UHFFFAOYSA-N 361.511 3.875 0 40 FHAB COc1ccc(-c2noc([C@@H](C)NC(=O)c3ccccc3C)n2)cc1OC 4998155 LOPDRPZUPXMAJN-CYBMUJFWSA-N 367.405 3.553 0 40 FHAB O=C(C[C@H]1OCCc2ccccc21)Nc1cccc(CCN2CCCC2)c1 94122288 RIDWUCSEBFYUFD-JOCHJYFZSA-N 364.489 3.968 0 40 FHAB CN(Cc1cccc2ccccc12)C(=O)NC[C@H]1COc2ccccc2O1 83864193 MNFBABZMUFKBQN-SFHVURJKSA-N 362.429 3.821 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(C)[C@H]1CCc2ccccc21 32905685 FBCKRZVLFSEPKL-FQEVSTJZSA-N 373.456 3.818 0 40 FHAB Cc1csc(C2=C(O)CN(C3CCN(Cc4ccccc4)CC3)C2=N)n1 102719000 MQVUUWOWCOMHLG-UHFFFAOYSA-N 368.506 3.678 0 40 FHAB CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc(F)cc1)n1nnc(-c2ccccc2)n1 58009074 QRUWLQFKHAVNPF-KSSFIOAISA-N 367.428 3.554 0 40 FHAB CN(C)S(=O)(=O)c1cccc(COc2cccc(Cl)c2Cl)c1 8313499 WQBZAZDTOBLCAZ-UHFFFAOYSA-N 360.262 3.823 0 40 FHAB COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccco1)N1CCCCC1 22678362 PAZYOHQDMRCDJI-INIZCTEOSA-N 362.857 3.899 0 40 FHAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccccc3N(C)C)c12 23176271 MHDFCSRYNQDZRM-UHFFFAOYSA-N 351.454 3.718 0 40 FHAB CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(OC)c(OC)c1 954917 LYFISMGTSAOHBR-UHFFFAOYSA-N 371.433 3.624 0 40 FHAB Cc1cccc(N2CCN(Cc3cc(F)cc4c3OCOC4)CC2)c1C 12563253 VFXYPJVFHALRML-UHFFFAOYSA-N 356.441 3.631 0 40 FHAB O=c1c2ccccc2[nH]c(=S)n1-c1cccc(OC[C@H]2CCCO2)c1 12540887 OIKDODSSNYZCHN-OAHLLOKOSA-N 354.431 3.606 0 40 FHAB Cc1cccc(OCCCC(=O)Nc2ccc(N3CCOCC3)cc2)c1C 1786425 XJDRSRLTGCBYCV-UHFFFAOYSA-N 368.477 3.938 0 40 FHAB CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2)cc1)S(=O)(=O)CC 113971453 DHIGLKGNQTWDAM-INIZCTEOSA-N 374.506 3.662 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2c(F)cccc2Cl)c1C 3353157 XBUNWBNDXNTCME-UHFFFAOYSA-N 366.820 3.873 0 40 FHAB O=C(COc1ncnc2ccccc12)Nc1ccc(SC(F)F)cc1 3313879 JFAJKIGKOQLNEB-UHFFFAOYSA-N 361.373 3.962 0 40 FHAB CC(C)(CC(=O)O)CC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 58223635 LPKCWAYARLLYEF-CYBMUJFWSA-N 369.845 3.727 0 40 FHAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1noc(C(C)(C)C)n1 72288680 XQNLOGOODAHEKY-ZDUSSCGKSA-N 359.470 3.748 0 40 FHAB Cn1cc(C(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc23)cn1 27816730 WYRDXQQIOIFKSC-MRXNPFEDSA-N 350.447 3.525 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)c1cccc(OC(F)F)c1)CC2 2229855 BTGARGBRWUZFEV-UHFFFAOYSA-N 363.360 3.504 0 40 FHAB CCSc1nnc2n(CC)c3c(c(=O)n12)[C@](C)(CC)Cc1ccccc1-3 2247830 PJBQBWVCJVMDNW-HXUWFJFHSA-N 368.506 3.914 0 40 FHAB CNc1nc(SCC(=O)N2CCC[C@@H]3CCCC[C@H]32)nc2ccccc12 12758673 OKOIKNASJQEYFS-WMLDXEAASA-N 370.522 3.945 0 40 FHAB CCN(C(=O)c1cccc(N2C(=O)CCC2=O)c1)c1cc(C)ccc1C 58713976 SVCBKFQSMYXYPI-UHFFFAOYSA-N 350.418 3.624 0 40 FHAB CCCNC(=O)c1c(N)n(Cc2ccc(C)cc2)c2nc3ccccc3nc12 2391867 QLXWDZZCCMJGLF-UHFFFAOYSA-N 373.460 3.663 0 40 FHAB Cc1ccc(-n2ncc3c2ncn2nc(-c4ccco4)nc32)cc1Cl 2409587 RMJQLWQVIIRROW-UHFFFAOYSA-N 350.769 3.685 0 40 FHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H]1c1ccccc1 12819641 RZZPQDKAXZLQIV-QFBILLFUSA-N 352.434 3.665 0 40 FHAB Cc1ccc(C)c(OC[C@H](O)CSc2nnc(C)n2-c2ccccc2)c1 8710880 QSTJAJXWLMSXCV-SFHVURJKSA-N 369.490 3.725 0 40 FHAB C[C@@H](OC(=O)c1ccc(CO)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 3418640 LWNXEEPZVGCNCA-SNVBAGLBSA-N 368.216 3.670 0 40 FHAB CCOc1ccccc1OS(=O)(=O)c1sc(Cl)nc1Cl 62580608 FOZLACXELPDORO-UHFFFAOYSA-N 354.236 3.616 0 40 FHAB Cc1ccc(NC(=O)CSc2nncn2-c2ccccc2)cc1Cl 3543191 XBBFYSFGFGAJBH-UHFFFAOYSA-N 358.854 3.960 0 40 FHAB COc1cccc(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 12943492 SWRNUIMDQKPBRG-VQFGERMISA-N 365.429 3.843 0 40 FHAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCCN1C(=O)c1cccs1 12901579 PUVUNOMJLKNQGR-JRQWYPPZSA-N 372.534 3.828 0 40 FHAB COc1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)cc1Cl 13014448 IOWZKXOCFDFATD-QGZVFWFLSA-N 372.852 3.982 0 40 FHAB CCOC(=O)c1nnc2c(-c3cccc4ccccc34)c(CC)nn2c1C 20633722 KKDSOYOOECSAJB-UHFFFAOYSA-N 360.417 3.992 0 40 FHAB O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])Nc1cccc(N2CCCC2)c1 63937848 VRXDESAFMCNROA-VQHVLOKHSA-N 355.369 3.986 0 40 FHAB O=C(Nc1ccccn1)c1cnn(-c2ccc(F)cc2F)c1-n1cccc1 49546343 UHQADMHQLSACRF-UHFFFAOYSA-N 365.343 3.589 0 40 FHAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(Cl)c2)NC(=S)N1 4185186 ZCKHKOVVOKWQEC-KRWDZBQOSA-N 372.877 3.876 0 40 FHAB CCN(CC)c1ccc(NC(=O)CSc2nc(-c3ccco3)n[nH]2)cc1 6078493 OHDAACBGTWUDEX-UHFFFAOYSA-N 371.466 3.642 0 40 FHAB Cc1ccc(N(Cc2ccco2)C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1 39975939 YIYWQNBBRALLJN-FXAWDEMLSA-N 370.474 3.575 0 40 FHAB Cc1cccc(-n2nnnc2SCc2nc(-c3ccsc3)no2)c1C 13985532 TUIYDZLBXCEUTD-UHFFFAOYSA-N 370.463 3.683 0 40 FHAB CCOc1cc2c(cc1CNC(=O)c1cccc3cccnc13)O[C@@H](C)C2 65543161 WQJIVLLWJLVJKQ-AWEZNQCLSA-N 362.429 3.887 0 40 FHAB Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccccc2C)cc1C 65609562 DKHSSYGZBYEUDH-GOSISDBHSA-N 354.475 3.766 0 40 FHAB Cc1ccc(N2CCN(CC(=O)Nc3ccc(C)c(C)c3)C[C@H]2C)cc1 14216373 HWTNKQWGNGKXQV-LJQANCHMSA-N 351.494 3.761 0 40 FHAB CC(C)[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1nc2ccccc2[nH]1 6604660 XKDXVXXSWLFBPW-SCLBCKFNSA-N 355.413 3.983 0 40 FHAB C[C@@H](C(=O)Nc1ccccc1F)[S@](=O)Cc1c(F)cccc1Cl 66301371 WKOKUNUKFHUVQH-VCGICTTQSA-N 357.809 3.894 0 40 FHAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc2c(c1)OCO2 6993835 UDMOJCHBRAPNLU-UHFFFAOYSA-N 368.370 3.520 0 40 FHAB O=C1NC(=O)c2ccccc2/C1=C/c1ccc(-n2cnc3ccccc32)cc1 15662075 NYHGIKBQJNNZAC-UYRXBGFRSA-N 365.392 3.836 0 40 FHAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccccc3C(C)C)ccc21 7323360 FNMXNYJOSMTOAI-UHFFFAOYSA-N 372.490 3.910 0 40 FHAB C[C@@H](OC(=O)c1cncc(Br)c1)C(=O)c1ccc(Cl)cc1 7417273 YCNNMTSLLKQLRI-SECBINFHSA-N 368.614 3.926 0 40 FHAB COc1ccc(-c2nc(CNC(=O)COc3cccc(C)c3)cs2)cc1 15832678 DDAODMJMQWSVEJ-UHFFFAOYSA-N 368.458 3.822 0 40 FHAB Clc1cccc(-n2nnnc2SCc2nc(-c3ccccc3)no2)c1 7745233 BPAHLAQMDZKBRI-UHFFFAOYSA-N 370.825 3.658 0 40 FHAB COc1cc(OC)cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1 9319335 ZXQRXHZMOTWBLI-SFHVURJKSA-N 351.406 3.557 0 40 FHAB CC(C)c1ccc(OCC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 8016601 IORJWZHGFYNIRX-CYBMUJFWSA-N 354.406 3.547 0 40 FHAB C[C@H]1c2cccc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)c2O[C@@H]1C 8428219 ZQPYHDDVQMZHBO-CHWSQXEVSA-N 350.418 3.716 0 40 FHAB CCOc1ccc(C(=O)Nc2nnc(-c3ccccc3OC)s2)cc1 17249184 MIYKJRQYIDAUGV-UHFFFAOYSA-N 355.419 3.865 0 40 FHAB C[S@](=O)c1c(Cl)cccc1NC(=O)NCCCOC1CCCC1 72309778 WFCSBFMXOKMCBC-HSZRJFAPSA-N 358.891 3.548 0 40 FHAB O=C(Nc1ccc(Br)cc1)c1cc2ccccc2o/c1=N\O 9514045 BFNKUPPOGAJDQS-MNDPQUGUSA-N 359.179 3.738 0 40 FHAB O=C(N[C@@H]1COc2ccccc21)N1CCO[C@H](c2ccc(Cl)cc2)C1 71844078 LAUVVIOHTRLRRG-AEFFLSMTSA-N 358.825 3.557 0 40 FHAB CC(C)(C)c1ccc(OCCCC(=O)NC[C@](C)(O)C(F)(F)F)cc1 95445085 XWQRSZSOWMSKOE-KRWDZBQOSA-N 361.404 3.573 0 40 FHAB COc1cccc(CNC(=O)[C@H](C)CSc2ccc(F)cc2)c1OC 79069184 CFMIXCLXQFSTDF-CYBMUJFWSA-N 363.454 3.888 0 40 FHAB Cc1ccc(-c2oncc2C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)cc1 85876419 VHPPXSKSCSGNIX-PKOBYXMFSA-N 353.466 3.644 0 40 FHAB biogenic CCOc1ccc(OCC)c(NC(=O)c2ccc(Cn3cccn3)cc2)c1 9960109 JBDGNPYVYAZMNV-UHFFFAOYSA-N 365.433 3.981 0 40 FHAB CC(C)(C(=O)OCc1ncc(-c2ccccc2)o1)[C@H](O)c1cccc(O)c1 89621106 ARGHQAIPHVPCCF-LJQANCHMSA-N 367.401 3.850 0 40 FHAB CC[C@@H](C)NC(=O)c1cc2c(N3CCCCC3)nc(SC)nc2s1 408620929 MWWSESRIPAOLBX-LLVKDONJSA-N 364.540 3.932 0 40 FHAB Cc1cccc([C@@H](C)c2nc(-c3ccc(NS(C)(=O)=O)cc3)no2)c1 546306571 URNDBLVAIFXLBB-CYBMUJFWSA-N 357.435 3.568 0 40 FHAB CN(Cc1ccc(Br)o1)C(=O)c1ccn(C2CCCC2)n1 72259995 SKTIJIFDPQLDDR-UHFFFAOYSA-N 352.232 3.626 0 40 FHAB O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)C1(c2ccc(F)cc2)CC1 70640062 LELDRYKYHCMGDC-MRXNPFEDSA-N 367.342 3.726 0 40 FHAB Cc1ccccc1N[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 36635831 ISCXIKSYNGAIMF-OAHLLOKOSA-N 359.223 3.502 0 40 FHAB CC(C)C(=O)Nc1cc(C(=O)N2CCC[C@@H]2CCc2ccccc2)ccn1 562762094 WDQXSSFHDSMLHK-LJQANCHMSA-N 365.477 3.914 0 40 FHAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2cc(F)ccc2Cl)c1 72330829 QJTMGPYBTRYSHV-VMPITWQZSA-N 363.772 3.683 0 40 FHAB CCOC(=O)C1CCN(C(=O)CCSc2ccc(Cl)cc2)CC1 45051707 ORTQPNWUYHGHEM-UHFFFAOYSA-N 355.887 3.624 0 40 FHAB CCOc1ccc2c(c1)C=C(C(=O)N(C)Cc1cccc(OC)c1)CO2 40119978 IUSJZOGRWZLHGT-UHFFFAOYSA-N 353.418 3.528 0 40 FHAB CC[C@@H](C(=O)N1CC(c2nc(-c3cccs3)no2)C1)c1ccccc1 49484219 UJIFHISGFIUJJW-OAHLLOKOSA-N 353.447 3.918 0 40 FHAB CC[C@H](Oc1ccccc1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 222859911 XQWBXSDKMKEWMM-SFHVURJKSA-N 357.450 3.956 0 40 FHAB CCN(CC)Cc1nc(C2(O)CCN(CC3CCCCC3)CC2)cs1 225462766 USIMZORRTOMOKI-UHFFFAOYSA-N 365.587 3.849 0 40 FHAB biogenic,in-vitro COc1ccc(CCNC(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1 40104021 ZMFDNZKUGUURMX-UHFFFAOYSA-N 355.438 3.654 0 40 FHAB COc1ccc(C(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1C 225024712 SRYWHZXXSSQAPC-UHFFFAOYSA-N 371.824 3.979 0 40 FHAB COc1nc2ccccc2nc1NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 43220420 BUQFFBQTVNAIMV-CQSZACIVSA-N 372.469 3.697 0 40 FHAB CC(=O)c1ccc(C(=O)OC2CN(c3nc4ccc(F)cc4s3)C2)cc1 77200614 ZGNRGXRKJZPYRX-UHFFFAOYSA-N 370.405 3.684 0 40 FHAB CCN1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2N)CC1 226263264 QMWKRWGSDAFTKD-UHFFFAOYSA-N 374.488 3.816 0 40 FHAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)/C=C/c1c(F)cccc1F 40106467 FMHJPHLTOQWKKV-VQHVLOKHSA-N 371.431 3.677 0 40 FHAB O=C(Nc1ccc(Cn2ccnc2)cn1)[C@H]1CC[C@H]1c1ccc(F)cc1 529376542 BDWQOOLAOOYISM-ROUUACIJSA-N 350.397 3.598 0 40 FHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 225012026 DTVDDVQOXHWIEL-RTBURBONSA-N 366.505 3.870 0 40 FHAB Cc1ccc([C@H]2C[C@@H](C)N(S(=O)(=O)Cc3noc4ccccc34)C2)cc1 330186582 SDJBBVMHUGQDSC-WBVHZDCISA-N 370.474 3.844 0 40 FHAB C[C@H](NC(=O)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1nc2ccccc2[nH]1 96118640 GLMPUCDEMLSPLH-VIFPVBQESA-N 373.338 3.949 0 40 FHAB Cn1cnc2c(C(=O)NC3(c4ccc(Cl)cc4)CCCC3)ccnc21 582927281 ZBFFKQXGWNYJME-UHFFFAOYSA-N 354.841 3.821 0 40 FHAB O=C(Nc1ccccc1C(F)(F)F)c1cccnc1O[C@@H]1CCOC1 244970194 HNTPRWSIZCPICX-LLVKDONJSA-N 352.312 3.520 0 40 FHAB COc1ccc(CN2CCC(CCc3ccnc(NC(C)=O)c3)CC2)cc1 257287928 PSBOJDOGQLTLSZ-UHFFFAOYSA-N 367.493 3.893 0 40 FHAB Cc1ccn(-c2ccccc2NC(=O)N2CC(COc3ccccc3)C2)n1 585083947 SWRQGNSQAKPWNV-UHFFFAOYSA-N 362.433 3.723 0 40 FHAB Cc1cc([C@H]2CN(C(=O)c3cc4ccccc4s3)CCO2)nc(C)n1 257267926 MJMFWSYNPDLLQT-MRXNPFEDSA-N 353.447 3.522 0 40 FHAB Cc1ccc(Nc2nccc(C3CCN(C(=O)C4CCCC4)CC3)n2)nc1 257322523 WGIAMNUWJOIQPB-UHFFFAOYSA-N 365.481 3.820 0 40 FHAB CC(=O)Nc1cc(CCC2CCN(CCc3ccccc3)CC2)ccn1 257237470 HGPLIYRPXNMMDW-UHFFFAOYSA-N 351.494 3.927 0 40 FHAB Cc1ccc(Cl)c(OCC2(O)CCN(Cc3ccc(O)cc3)CC2)c1 585271861 DRFLUGIAMMSQFB-UHFFFAOYSA-N 361.869 3.760 0 40 FHAB CC(=O)Nc1cccc(NC(=O)COc2cc(Cl)cc(Cl)c2)c1 5038253 WIVDGAWRWNLZAA-UHFFFAOYSA-N 353.205 3.969 0 40 FHAB O=S(=O)(c1ccccc1)[C@@H]1[C@@H]2c3ccccc3[C@@H](O)[C@H]1c1ccccc12 5049068 SBOBQHDNOZJZQP-DXBBTUNJSA-N 362.450 3.805 0 40 FHAB CC(=O)c1ccc(OCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 5443837 XKZYJJZVYOYURA-BZSISCHUSA-N 355.478 3.989 0 40 FHAB COc1ccc(-c2nc3cnccn3c2NCCc2ccccc2)cc1CO 12113869 SGDLXNLMCSUOGH-UHFFFAOYSA-N 374.444 3.552 0 40 FHAB CCn1c(CN2CCC[C@@](O)(c3ccc(F)cc3)CC2)cnc1SC 12143574 KPIRZMSFROSHOF-IBGZPJMESA-N 363.502 3.638 0 40 FHAB C[C@H](Cc1cccs1)C(=O)N1CCC(c2nn(C)c3ncccc23)CC1 12186810 GJMMWWCBEWVBHS-CQSZACIVSA-N 368.506 3.615 0 40 FHAB COc1cc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc(OC)c1OC 12366520 XNFRQVIRNVTGIF-DOTOQJQBSA-N 360.454 3.510 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)c1C 13008808 LVFQNMPSFMVGDD-UHFFFAOYSA-N 371.437 3.655 0 40 FHAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 13465840 HERQIAJKGCAMKP-HTEOGMQZSA-N 359.731 3.820 0 40 FHAB CCn1c(=O)c(CNc2ccc3c(c2)OCO3)cc2cc(C)c(C)cc21 13564264 INLQBVJHPGVZQI-UHFFFAOYSA-N 350.418 3.979 0 40 FHAB Cc1ccc2c(c1)cc(C(=O)Nc1nc(-c3cn(C)nc3C)cs1)n2C 19661347 OLZQLBVOIOLZJH-UHFFFAOYSA-N 365.462 3.904 0 40 FHAB Cc1cnccc1-c1cnn(CCNC(=O)[C@@H]2CC=CCC2)c1C1CC1 19239872 HZEAABWLEAJEDB-QGZVFWFLSA-N 350.466 3.603 0 40 FHAB CC(C)(C)c1cc(NC(=O)CSc2nnc(Cc3ccccc3)o2)on1 5315968 DXINJHGTSBSNKA-UHFFFAOYSA-N 372.450 3.677 0 40 FHAB Cc1ccc(OCC2(O)CCN(C(=O)CCc3ccccc3)CC2)cc1C 2037915915 AUCDWTSGARWWHZ-UHFFFAOYSA-N 367.489 3.669 0 40 FHAB COc1cc2nc(NC(=O)c3cccc(OC)c3OC)sc2cc1OC 5187479 FXEBWLOYYQFIRJ-UHFFFAOYSA-N 374.418 3.583 0 40 FHAB CC(C)C(=O)N1CCc2ccc(NC(=O)Cc3ccc(F)cc3)cc2C1 9035883 ZLSFOMTZMARHNF-UHFFFAOYSA-N 354.425 3.548 0 40 FHAB CCOc1ccc(NC(=O)NC[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 9040442 JNFIMLRKOMXGNW-INIZCTEOSA-N 367.449 3.568 0 40 FHAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccnn1C 12444231 JGOZOPMRACZLJW-UHFFFAOYSA-N 355.419 3.578 0 40 FHAB Cc1n[nH]c2c1[C@H](c1ccccc1)N(CCc1c[nH]c3ccccc13)C2=O 13732721 YWUJOZQSVCTECZ-NRFANRHFSA-N 356.429 3.987 0 40 FHAB O=C(CCc1ccccc1F)NC[C@@H]1CCCN1c1nc2ccccc2o1 206772776 IRCVAAGQQMBCEO-INIZCTEOSA-N 367.424 3.685 0 40 FHAB COC(=O)c1ccc(-c2csc(NC(=O)Cc3ccc(F)cc3)n2)cc1 5268357 WJICSZSXDHLJRB-UHFFFAOYSA-N 370.405 3.917 0 40 FHAB O=C(CCn1ncc2c(Cl)cccc21)NCc1csc(C2CC2)n1 72252294 JXIOBGCPHPLLKH-UHFFFAOYSA-N 360.870 3.730 0 40 FHAB C[C@H](C(=O)Oc1ccc(-c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O 6183456 OSLSMVBBUWSKQF-OAHLLOKOSA-N 371.392 3.944 0 40 FHAB COc1ccc2cc(CN3CCC[C@@H](c4nc(C)no4)C3)c(Cl)nc2c1 40156382 ZWFFYPXLIDQBTN-CQSZACIVSA-N 372.856 3.968 0 40 FHAB Cc1noc(C)c1COc1ccccc1C(=O)NC[C@@H]1Cc2ccccc21 40148961 CRNCXKNACRNDMI-KRWDZBQOSA-N 362.429 3.940 0 40 FHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](C(=O)O)c1ccccc1 20739757 MMFCWBHYLDSYBS-OAHLLOKOSA-N 370.405 3.813 0 40 FHAB O=C1[C@@H]2[C@@H](C(=O)N1Nc1c(Cl)cc(Cl)cc1Cl)[C@H]1C=C[C@H]2C1 101640284 VJMRSAOJZSLDHY-ZWRCQFPCSA-N 357.624 3.781 0 40 FHAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)c1ccc(F)c(F)c1 2627429 BHWNNJUDMPSHOG-UHFFFAOYSA-N 367.373 3.641 0 40 FHAB Cc1c(-c2ccccc2)oc2c(C(=O)NC[C@H]3CCCO3)cccc2c1=O 2642736 MHCWOFGDXRWKLT-MRXNPFEDSA-N 363.413 3.677 0 40 FHAB CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1ccccc1 870542 IYOBKZPKWAEQDY-GOEBONIOSA-N 358.511 3.752 0 40 FHAB COC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 1089803 MFSMMHYQSNEGOZ-NSHDSACASA-N 374.849 3.693 0 40 FHAB CCCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1cccnc1 1362286 GAWOIZBRMTVDTJ-ZBFHGGJFSA-N 373.526 3.537 0 40 FHAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1OC 41096732 LNPCDQJBIDZBGV-SNVBAGLBSA-N 352.283 3.955 0 40 FHAB CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c1 32754250 VXYLUPTWWBJGJN-QGZVFWFLSA-N 372.396 3.594 0 40 FHAB COC(=O)c1sccc1NC(=O)c1ccc(OCc2cscn2)cc1 32768234 YZZUPGOYBZLJNK-UHFFFAOYSA-N 374.443 3.823 0 40 FHAB CC(C)CCC1=NN(C(=O)c2ccc(N(C)C)cc2)[C@@](O)(C(F)(F)F)C1 3905091 CRSHEJQUQWLZTA-KRWDZBQOSA-N 371.403 3.642 0 40 FHAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 7398561 VETLULZUUVSHNS-WBVHZDCISA-N 352.434 3.634 0 40 FHAB Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 7495491 IDTRBWDRWCGQFY-KRWDZBQOSA-N 356.441 3.559 0 40 FHAB Cc1cccc(OCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 7724546 FCPZUVUGKXDICP-UHFFFAOYSA-N 358.869 3.684 0 40 FHAB Cc1cc(C(=O)CCC(=O)NCC(=O)Nc2c(C)cccc2C)c(C)s1 7988173 DRDCGKMVMBLXSG-UHFFFAOYSA-N 372.490 3.700 0 40 FHAB CC(C)c1ccc(CS(=O)(=O)[C@@H](C)C(=O)N(C)Cc2ccccc2)cc1 32929685 HWVJTEDHVVXQQJ-KRWDZBQOSA-N 373.518 3.772 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)CCc1ccc(F)cc1)c1cccc(F)c1 29987142 GTMLIUQQUZFFMS-IBGZPJMESA-N 355.388 3.537 0 40 FHAB O=C1[C@@H]2Nc3ccccc3S[C@@H]2C(=O)N1c1ccccc1C(F)(F)F 102948479 YBQRTYUDGSJFHG-KGLIPLIRSA-N 364.348 3.534 0 40 FHAB CCn1nc(C)c(NC(=O)[C@H](C)n2nc(C(F)F)c(Cl)c2C)c1C 2778728 WUBBKBKMVXEFJR-JTQLQIEISA-N 359.808 3.815 0 40 FHAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)C[C@H]2Sc3ccccc3NC2=O)o1 53642994 XGWNNLZDOQYTCX-UVBSCNOISA-N 370.474 3.865 0 40 FHAB CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CN1CCC[C@H](C)C1 37222259 BMFOXBJYAQQZII-FUHWJXTLSA-N 373.541 3.601 0 40 FHAB COc1ccccc1OC(=O)c1ccc(I)cc1 683089 BKTBHPUJOGHNLL-UHFFFAOYSA-N 354.143 3.519 0 40 FHAB CCn1ncc(NC(=S)Nc2cnn(Cc3ccc(Cl)cc3)c2)c1C 2806559 HQMUOZWBBFVKHE-UHFFFAOYSA-N 374.901 3.919 0 40 FHAB CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CC(C)(C)OC3 1245078 FAYRCMANFHZLDO-UHFFFAOYSA-N 362.476 3.673 0 40 FHAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(OC(F)(F)F)cc1)OC2=O 100260850 MWMSZDFBWCRDIT-HZPDHXFCSA-N 357.328 3.646 0 40 FHAB COCCN1COc2c(cc3c(-c4ccccc4)cc(=O)oc3c2C)C1 57405691 QVUWZTXSKNCBFP-UHFFFAOYSA-N 351.402 3.567 0 40 FHAB biogenic Cc1cccc(C)c1NC(=O)[C@@H](C)Nc1ccc(N2CCCC2=O)cc1 12563656 ZZOKEHYYCRAAOO-MRXNPFEDSA-N 351.450 3.869 0 40 FHAB COc1ccc(-c2cc(C)nc(SCC(=O)N3CCCCC3)n2)cc1 3299439 YMKNXNIYLXAOMZ-UHFFFAOYSA-N 357.479 3.565 0 40 FHAB C[C@H](OC(=O)c1ccccc1)C(=O)Nc1ncc(C(F)(F)F)cc1Cl 10026218 BYDSLCMAACWVDO-VIFPVBQESA-N 372.730 3.938 0 40 FHAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccn(Cc2ccccn2)n1 58201887 WLVOCRPQQRKXQL-OAHLLOKOSA-N 352.463 3.587 0 40 FHAB C[C@@H](O)c1ccc(CNC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cc1 58434567 LHRKLSDQNMFMKH-FOIQADDNSA-N 356.441 3.796 0 40 FHAB Cc1ccc(C(=O)C2CCN(C(=O)N[C@H]3COc4ccccc43)CC2)cc1 58574577 XEIRMPMRMZROTF-IBGZPJMESA-N 364.445 3.733 0 40 FHAB Cc1ccc(C(=O)NCC(=O)N2CCC(CCc3ccccc3)CC2)cc1 11453397 RSYMKPCHILADNR-UHFFFAOYSA-N 364.489 3.596 0 40 FHAB CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)NC1=S 409007299 PBVRFWAVDKKCFS-ATVHPVEESA-N 352.459 3.652 0 40 FHAB CN(Cc1ccccc1F)C(=O)CCCNC(=O)c1ccc(Cl)cc1 3534413 UEXZLPLDLMNKDN-UHFFFAOYSA-N 362.832 3.648 0 40 FHAB COC(=O)c1cc(NS(=O)(=O)c2cc(C)ccc2C)ccc1Cl 12919263 LESNBWMTWNKBHP-UHFFFAOYSA-N 353.827 3.544 0 40 FHAB NC(=O)c1cc(NC(=O)c2csc(-c3ccsc3)n2)ccc1Cl 13011114 NAWDVZSGRGKQBB-UHFFFAOYSA-N 363.851 3.876 0 40 FHAB Cc1noc(C)c1C(=O)OCC(=O)N(c1ccccc1)C1CCCCC1 5195197 WTMZHPXBNNGZBG-UHFFFAOYSA-N 356.422 3.814 0 40 FHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(Cl)ccc1Cl 5263079 JRJVNNRCDJECLD-UHFFFAOYSA-N 362.216 3.502 0 40 FHAB C[S@](=O)Cc1cccc(C(=O)Nc2nc3cc(F)c(F)cc3s2)c1 65490916 RYUYDOPDPMVMHD-XMMPIXPASA-N 366.414 3.705 0 40 FHAB CN1CCC(N(C)C(=O)c2cccnc2-c2nc3ccccc3s2)CC1 5429048 HJCFSWLKPCZQIK-UHFFFAOYSA-N 366.490 3.525 0 40 FHAB Cc1cc(C)cc(N(C)C(=O)[C@@H]2CCCN2C(=O)NC2CCCCC2)c1 65861897 HAXQEOPAJPVVCT-IBGZPJMESA-N 357.498 3.773 0 40 FHAB CCn1c([C@@H](C)NC(=O)C2=NO[C@H](c3ccccc3)C2)nc2ccccc21 65831907 LYECLSAHZZOYKY-KUHUBIRLSA-N 362.433 3.751 0 40 FHAB Cc1nc2ccc(NC(=O)N3CCN(c4ccccc4)CC3)cc2s1 4705182 JHZMVFUKGNIWBF-UHFFFAOYSA-N 352.463 3.959 0 40 FHAB CN(C)C(=O)[C@H](OC(=O)c1cccc(Cl)c1Cl)c1ccccc1 6987081 LZPXGZCOAHUPAN-OAHLLOKOSA-N 352.217 3.980 0 40 FHAB Fc1ccc(OCc2nc(Cn3nnc(-c4ccsc4)n3)cs2)cc1 9451656 AQMCOZXDEZLUAL-UHFFFAOYSA-N 373.438 3.625 0 40 FHAB Cc1cc2ccccc2n1CC(=O)NCc1ccccc1CN1CCCC1 7314059 FUTNTVSEIOGEMP-UHFFFAOYSA-N 361.489 3.862 0 40 FHAB COc1cc(CCC(=O)NCc2coc(-c3cccs3)n2)cc(OC)c1 9501056 FKIBCTPVRXZGEM-UHFFFAOYSA-N 372.446 3.669 0 40 FHAB COc1ccc(C(=O)OCC(=O)c2ccc(F)cc2)cc1Br 7760360 PUDGXTBNYLFUIS-UHFFFAOYSA-N 367.170 3.637 0 40 FHAB NC(=O)Nc1cccc(C(=O)OCc2csc(-c3ccsc3)n2)c1 7816187 OZIRVUWKPBYOTF-UHFFFAOYSA-N 359.432 3.719 0 40 FHAB Cc1ccc(C(=O)[C@@H](C)Sc2n[nH]c(=O)n2Cc2ccccc2)cc1C 16802713 ZRHAUIRISFMBNA-OAHLLOKOSA-N 367.474 3.600 0 40 FHAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)n2c(S)nnc2-c2cccs2)o1 69351008 HYXBCOLXWHVAKF-WDEREUQCSA-N 362.480 3.635 0 40 FHAB CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1cnccn1 17075422 CTUOFTYPEBLRPA-UHFFFAOYSA-N 367.430 3.558 0 40 FHAB COc1ccc2c(c1)CCN2C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 83970040 XVNYPMRVYVBLQU-UXHICEINSA-N 370.424 3.827 0 40 FHAB Cc1ccc(-c2noc(CNC(=O)COc3ccccc3C(C)C)n2)cc1 78582220 XXJHUTNGAVQLLS-UHFFFAOYSA-N 365.433 3.864 0 40 FHAB Cc1[nH]c2ccc(C(=O)N(C)[C@@H]3CCN(c4ccccc4)C3=O)cc2c1C 78598860 AORUCGNUYIZCFV-HXUWFJFHSA-N 361.445 3.662 0 40 FHAB C[C@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1cnc(-c2cnn(C)c2)s1 95455929 IEESCTWTZYETTD-NWDGAFQWSA-N 370.453 3.831 0 40 FHAB Fc1ccc(CN2CCC(c3nnc4ncc(C5CC5)cn34)CC2)cc1F 306142267 WUUMPNRAWXHEAD-UHFFFAOYSA-N 369.419 3.660 0 40 FHAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1OC 408816182 SSZWQIGFVIORST-SDQBBNPISA-N 372.240 3.523 0 40 FHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(SC)cc2)cc1Cl 30320231 FEKBWPBTYNECEX-UHFFFAOYSA-N 371.911 3.891 0 40 FHAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(Cl)c1)c1ccc(OC)cc1 30323439 HYLVUHLOLQSLLU-MRXNPFEDSA-N 369.870 3.787 0 40 FHAB COc1ccc2cc(C(=O)Nc3cc(Cl)ccc3OC)c(=O)oc2c1 33809356 GLSOISXSQSBNON-UHFFFAOYSA-N 359.765 3.716 0 40 FHAB COc1ccc(C[C@H]2CCN2C(=O)c2c(C(F)F)nc3ccccn23)cc1 1545352976 ACWPTLQWVXJGDR-CQSZACIVSA-N 371.387 3.738 0 40 FHAB CCCN(CC(=O)Nc1ccccc1C)C(=O)COc1c(C)cccc1C 31464100 ZRCREFSFTRADQK-UHFFFAOYSA-N 368.477 3.868 0 40 FHAB O=C(Cc1cccnc1)N1CCC[C@H]1c1cccc(Cc2ccccc2)n1 72357900 OWLITPZQORWJNQ-QFIPXVFZSA-N 357.457 3.974 0 40 FHAB COc1cc2sc(NC(=O)c3cnc(SC)nc3)nc2cc1Cl 33694770 WNIWOEDZURRMNQ-UHFFFAOYSA-N 366.855 3.723 0 40 FHAB COc1cc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)cc(OC)c1 71297148 DNXPTORKXMHHBD-UHFFFAOYSA-N 368.437 3.670 0 40 FHAB CC(C)c1ccccc1O[C@@H](C)C(=O)NC[C@@H]1COc2ccccc2O1 225266126 WHEGZKRODJFTPC-JKSUJKDBSA-N 355.434 3.534 0 40 FHAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](CC)C(=O)NC1CCCC1 224601916 BGGQEPZFZFTMIO-IBGZPJMESA-N 360.498 3.661 0 40 FHAB c1csc(-c2cn3c(COc4ccc5c(c4)OCO5)nnc3s2)c1 45221657 VKNGEXIQSBHFOR-UHFFFAOYSA-N 357.416 3.827 0 40 FHAB CCCNC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)c(N)c1 225438369 MVYFLGNPCQNIHI-UHFFFAOYSA-N 351.494 3.868 0 40 FHAB CCOc1ccc(-c2nc(COc3cccc(F)c3)n[nH]2)cc1OCC 85385221 ZBLVUYQDEDBDDF-UHFFFAOYSA-N 357.385 3.987 0 40 FHAB CC(=O)N(Cc1ccccc1)[C@H](C(=O)NCCC(C)C)c1ccccc1 223336969 AOAHTKDVOPLYFC-NRFANRHFSA-N 352.478 3.939 0 40 FHAB Cc1ccc(NC(=O)c2ccc(Cl)c(N(C)S(C)(=O)=O)c2)cc1C 225973102 DLJVRPOMXFAOFI-UHFFFAOYSA-N 366.870 3.605 0 40 FHAB COc1ccc(CCNC(=O)c2snnc2-c2ccc(Cl)cc2)cc1 225769067 QBJRLJGMHLKTJA-UHFFFAOYSA-N 373.865 3.840 0 40 FHAB Cc1csc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)n1 40140201 HDDSWZZVAJNVQX-UHFFFAOYSA-N 360.389 3.656 0 40 FHAB O=C(/C=C/c1ccsc1)NCC1CCN(C(=O)Oc2ccccc2)CC1 49523084 WMCWNUBRBRJYND-VOTSOKGWSA-N 370.474 3.789 0 40 FHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC1(c2cccs2)CC1 75170128 BEKWAYVMDKHPAI-UHFFFAOYSA-N 355.438 3.749 0 40 FHAB O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 220752545 PMSYDUYJRQCWPP-ZDUSSCGKSA-N 350.422 3.523 0 40 FHAB CCOc1ccc(-c2nc(N)cc(Nc3ccc(OC)cc3OC)n2)cc1 49468117 DQYGUXAPYYAYLJ-UHFFFAOYSA-N 366.421 3.885 0 40 FHAB Cc1ccc(NC(=O)N2CCc3onc(COc4cccnc4)c3C2)cc1 96260067 USJSEDGFHVWGHP-UHFFFAOYSA-N 364.405 3.547 0 40 FHAB O=C(Cc1ccsc1)N1C[C@H]2CCC[C@@]2(COCc2cccnc2)C1 96206841 ILHRANMCGSCCKZ-QUCCMNQESA-N 356.491 3.531 0 40 FHAB CNC(=O)C[C@H]1CC2(CCN(Cc3ccc(C)o3)CC2)c2ccccc21 96052573 HKYDUQSLJKYKTI-KRWDZBQOSA-N 352.478 3.745 0 40 FHAB O=C(CCn1ccc2ccc(Cl)cc21)N1CC[C@@]2(O)CCCC[C@@H]2C1 95477941 DIQPPDVUPXARTH-UZLBHIALSA-N 360.885 3.838 0 40 FHAB CC(C)n1nccc1-c1cncc(C2CCN(C(=O)C(C)(C)C)CC2)n1 257200530 ADRZZHZWLHFMGT-UHFFFAOYSA-N 355.486 3.673 0 40 FHAB CC(C)c1ccc(C=c2sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1 254678737 RUIXCCQCLXNBRI-UHFFFAOYSA-N 365.433 3.628 0 40 FHAB COc1ncccc1C(=O)N1CCC(Cc2ccc3ncccc3c2)CC1 257325702 WUBZLUGLWMVWKX-UHFFFAOYSA-N 361.445 3.733 0 40 FHAB Cc1noc(C)c1-c1ccc([C@@H]2CCCN(C(=O)c3cccnc3)C2)nc1 257225282 FFORVIZCLCDHNB-GOSISDBHSA-N 362.433 3.768 0 40 FHAB O=C(NCCc1ccccc1)N1CCC(CSc2ccccn2)CC1 85557645 ARXAQAXMJYKIOS-UHFFFAOYSA-N 355.507 3.838 0 40 FHAB C[C@@H](NC(=O)c1ccc2c(c1)[C@H](CN)CCC2)c1cccc(-n2ccnc2)c1 659283820 CURNUYYCUCMTIZ-UZLBHIALSA-N 374.488 3.742 0 40 FHAB C[C@@H](C(=O)Nc1cc(C2CCCCC2)[nH]n1)n1ccc(C(F)(F)F)n1 1294387652 POOBCPULKYGHQP-JTQLQIEISA-N 355.364 3.872 0 40 FHAB COc1ccccc1[C@@H](CNC(=O)c1cc2cccc(OC)c2o1)OC 96384647 JRTKEFPIXRMMPL-GOSISDBHSA-N 355.390 3.568 0 40 FHAB Cc1cc(C)c(C)c(OC[C@@]2(O)CN(C3CCCCCC3)CC[C@@H]2O)c1 585284859 AAYBMVUDJGBRHG-VXKWHMMOSA-N 361.526 3.511 0 40 FHAB CCCN1C(=O)c2ccc(Cl)cc2N[C@@]12C(=O)Nc1c(C)cccc12 58391512 WHPDBWYXVMHLIJ-LJQANCHMSA-N 355.825 3.731 0 40 FHAB CC1(C)CC[C@H](NC(=O)[C@H]2CSCN2C(=O)C2CCC2)c2ccccc21 78470208 GGEZFGHPCVGVPD-ZWKOTPCHSA-N 372.534 3.617 0 40 FHAB C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1ccccc1Br 89895111 TYLVWIHSHJITFR-GXFFZTMASA-N 354.269 3.753 0 40 FHAB CC1(C)C[C@@]2(CCCN2C(=O)c2cncs2)CN1c1cccc(F)c1 1615127565 RVQABZBQOCSRJS-IBGZPJMESA-N 359.470 3.946 0 40 FHAB Cc1cccc(N(C)CCC(=O)Nc2nc(-c3ccccn3)cs2)c1 19655200 PIUHDGLAKFUMAZ-UHFFFAOYSA-N 352.463 3.979 0 40 FHAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)[C@H]3CCCO3)c2)cc1 19691356 VBEYWFIVBYMFCK-NHCUHLMSSA-N 366.461 3.908 0 40 FHAB Cc1cc(-c2cncnc2)cc(C2CCN(Cc3cnc(C)s3)CC2)n1 19692146 JQSSGXOCLRDOMH-UHFFFAOYSA-N 365.506 3.992 0 40 FHAB Cc1cccc(C(=O)NC(=S)Nc2cc(/C=C/C(=O)O)ccc2Cl)c1 226356939 CJJGOXMCLJDAJV-SOFGYWHQSA-N 374.849 3.873 0 40 FHAB Cc1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2ccco2)cc1C 22844690 XKCJLPDGWSBBMV-UHFFFAOYSA-N 356.447 3.683 0 40 FHAB Cc1nccc(-c2cccc(NC(=O)c3ccn(-c4ccccc4)n3)c2)n1 25168862 CFPREIIHFYXDSB-UHFFFAOYSA-N 355.401 3.890 0 40 FHAB Cc1ccccc1CCNC(=O)[C@H](NC(=O)Nc1ccccc1)C(C)C 25506921 MVCMITSSFOVYDA-LJQANCHMSA-N 353.466 3.500 0 40 FHAB O=C(Cc1ccc(F)cc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 5268324 APLYPQLJYMGJBD-UHFFFAOYSA-N 356.378 3.859 0 40 FHAB O=C(Cc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1)NC1CC1 13715861 HHQBPEMZUXLBNM-UHFFFAOYSA-N 362.351 3.779 0 40 FHAB COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1C(=O)c1ccccc1 6235418 IJIFJFGGRSQMIG-NRFANRHFSA-N 358.397 3.977 0 40 FHAB O=C(CCN1CCO[C@@H](c2ccc(F)cc2)C1)Nc1ccccc1Cl 40086075 OREPCFDHRSYRHB-GOSISDBHSA-N 362.832 3.881 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(F)ccc3[nH]1)CC2 31036658 HTIFYHRSHKTJRW-UHFFFAOYSA-N 354.381 3.523 0 40 FHAB CCOC(=O)C1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1 17169658 LHVZDKIQUMBLNK-UHFFFAOYSA-N 352.434 3.846 0 40 FHAB Cc1ccc(NC(=O)COC(=O)/C=C/c2cccc(Cl)c2)cc1[N+](=O)[O-] 2618480 HRBBFQUKEIHOFT-SOFGYWHQSA-N 374.780 3.752 0 40 FHAB O=C1Nc2ccccc2C(=O)[C@@]1(Cc1ccccc1)C(=O)c1ccccc1 1587423 FNTAZXXMBNVKBY-HSZRJFAPSA-N 355.393 3.933 0 40 FHAB C[C@]1(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)CC1(Cl)Cl 37132957 DFSXXSYAUFVTCL-MRXNPFEDSA-N 350.249 3.883 0 40 FHAB CN1C(=O)S/C(=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C1=O 2963007 VRIIVWCUJUQDMV-QPEQYQDCSA-N 363.778 3.964 0 40 FHAB COc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc(OC)c1OC 3560974 RFAMXVMEWOLKGT-UHFFFAOYSA-N 371.311 3.863 0 40 FHAB S=c1[nH]nc(Cc2csc(-c3ccccc3)n2)n1C[C@@H]1CCCO1 32935005 BJIXANDGDCURKC-AWEZNQCLSA-N 358.492 3.834 0 40 FHAB CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 4945032 WQRRCKRSJAUWPC-UHFFFAOYSA-N 365.227 3.823 0 40 FHAB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1n[nH]c2ccccc12 6370657 JZNCUXKJVWRSFF-UHFFFAOYSA-N 354.753 3.623 0 40 FHAB CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccc(C)c(C)c2)c1 6680418 SVUXNSCVENCQNM-UHFFFAOYSA-N 366.508 3.648 0 40 FHAB COc1cc(NC(=O)[C@H](C)Oc2ccccc2OC)c(OC)cc1Cl 8050157 BSXAYDAGFMSXRM-NSHDSACASA-N 365.813 3.772 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCCCC3)c2)cc1 8181443 MMOBHAOUUJSKSS-UHFFFAOYSA-N 372.490 3.812 0 40 FHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c(C)c2)cc1 8413513 KZBINAAGXUALGL-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB Cc1ccc(C)c(N2N=C(C(=O)N[C@H](C)Cc3cccs3)CCC2=O)c1 33204319 OEUVCFDUHGUBER-OAHLLOKOSA-N 369.490 3.595 0 40 FHAB CCC(CC)c1cc([C@H]2CN3CC[C@H]2C[C@@H]3CO)nc(-c2ccncc2)n1 8622903 AFYSCWJSGIIGGW-OTWHNJEPSA-N 366.509 3.612 0 40 FHAB biogenic,in-vitro O=C(Nc1ccncc1)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 22260546 JJDXUMFFPGCRDS-KRWDZBQOSA-N 359.429 3.726 0 40 FHAB C=CC(=O)NCc1ccc(C(=O)N(C)[C@@H](C)c2ccccc2Cl)cc1 57204627 DCRHFOVRDRFVLW-AWEZNQCLSA-N 356.853 3.975 0 40 FHAB CCOCCCNC(=S)Nc1ccc(Br)c(Cl)c1 225370474 APIXBPRIEMXOOP-UHFFFAOYSA-N 351.697 3.816 0 40 FHAB CC(C)(C)c1ccc(SCC(=O)NCc2cccc(NC(N)=O)c2)cc1 53490431 LPGCBMQZQYEWRU-UHFFFAOYSA-N 371.506 3.883 0 40 FHAB CCOC(=O)c1sc(NC(=O)C2CCCCC2)c(C(=O)OCC)c1C 720582 YFPHRNVBVJFRMY-UHFFFAOYSA-N 367.467 3.929 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)CNc2ccccc2C(C)=O)c1 22729193 QWBMKMTWFWLWNQ-UHFFFAOYSA-N 356.422 3.737 0 40 FHAB CC(C)(C)c1cc(NC(=O)CSc2nnc(C3CC3)n2C2CC2)on1 9642882 WRFQCWZKFYTHJC-UHFFFAOYSA-N 361.471 3.507 0 40 FHAB CCOc1ccc(NC(=S)N2CCN(c3ccccc3OC)CC2)cc1 9877243 AMWQYFRCRHBTMA-UHFFFAOYSA-N 371.506 3.613 0 40 FHAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)[C@H]2C[C@@H]3C=C[C@@H]2O3)sc1C 100200000 GBYWVDVCHUMISO-JONQDZQNSA-N 360.504 3.565 0 40 FHAB C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC1CCCCCC1 47721682 MMXKPHVULJVIOK-LLVKDONJSA-N 357.281 3.951 0 40 FHAB O=C(CSc1cccc(Cl)c1)Nc1nnc(C(F)(F)F)s1 1397839 ZNETVWYSSWGGIT-UHFFFAOYSA-N 353.778 3.941 0 40 FHAB CCCCOc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)cc1 3247316 PIQVUPYXIQMAFW-MRXNPFEDSA-N 355.434 3.900 0 40 FHAB CC(=O)N1N=C(c2cccc(Br)c2)O[C@@H]1c1ccc(C)cc1 1437139 VVZCUDMBALWGJL-QGZVFWFLSA-N 359.223 3.997 0 40 FHAB COc1ccc(CCNC(=O)Cc2coc3cc(C)c(C)cc23)cc1OC 12608713 JSGNPJCUIKIZIK-UHFFFAOYSA-N 367.445 3.968 0 40 FHAB CC[C@@H](C)N1C(=O)c2ccc(C(=O)OCc3ccc(F)cc3)cc2C1=O 1790923 CMPRQOSNSSVRHK-GFCCVEGCSA-N 355.365 3.577 0 40 FHAB CCOc1ccccc1N[C@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1=O 101275598 ADSKBKUJAISRAT-KRWDZBQOSA-N 352.434 3.755 0 40 FHAB CNC(=O)c1ccc(CN(C(=O)C[C@@H](C)c2ccc(F)cc2)C2CC2)cc1 57452166 RTDICFGFEZFYGO-OAHLLOKOSA-N 368.452 3.870 0 40 FHAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cccc(C(F)(F)F)c1 28727196 ZAGGAWZTXSFMAY-LBPRGKRZSA-N 372.412 3.546 0 40 FHAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CNC(=O)c1ccccc1 57559383 NLDNGWBLAYPMPH-PMACEKPBSA-N 350.462 3.601 0 40 FHAB O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)Nc1ccc(Cl)cc1F 72292837 DZPIBVUKBJBIQU-MRXNPFEDSA-N 362.832 3.709 0 40 FHAB Cc1ccc(NC(=O)COC(=O)c2ccccc2Br)c(C)c1 1993311 GZJMKPTXNRBNRK-UHFFFAOYSA-N 362.223 3.861 0 40 FHAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1nc(-c2cccs2)no1 24577213 VQACHOHSGGOUMR-JTQLQIEISA-N 363.826 3.535 0 40 FHAB O=c1oc(-c2ccc(F)cc2)nn1Cc1cc(-c2ccc(Cl)cc2)no1 48250159 JCWMUQANOBETMY-UHFFFAOYSA-N 371.755 3.999 0 40 FHAB Cc1cc2oc(C(=O)Nc3onc4c3C[C@@H](C)CC4)cc(=O)c2cc1C 27748254 OEHBLHZIHSMWAJ-JTQLQIEISA-N 352.390 3.775 0 40 FHAB O=C(CCSCc1ccccn1)NCc1ccc(Br)s1 58306169 MZHMTHHBPFJARU-UHFFFAOYSA-N 371.325 3.845 0 40 FHAB Cc1cc(C)cc(OCCNS(=O)(=O)c2ccc3ccccc3c2)c1 22496283 ZJERZEBPVBRFFF-UHFFFAOYSA-N 355.459 3.814 0 40 FHAB CCCCNC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc12 2295606 NJBHIQOEUMCJII-UHFFFAOYSA-N 373.460 3.994 0 40 FHAB C/C=C/c1ccc(OCC(=O)NC[C@@H](c2ccccc2)N(C)C)c(OC)c1 12777743 VXSLJWOGVBIMHH-SQUITACLSA-N 368.477 3.526 0 40 FHAB Cc1cccc(OCCCNS(=O)(=O)c2cccc3cc(C)cnc23)c1 29352074 ACQFNSUPPKQILY-UHFFFAOYSA-N 370.474 3.599 0 40 FHAB O=C(CSc1ncccn1)N1c2ccccc2OC[C@H]1c1ccccc1 8499830 SHZOQADMHUYPBB-KRWDZBQOSA-N 363.442 3.736 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc2sccc2c(=O)[nH]1 8457243 PDBSMVQLOZFSKJ-NSHDSACASA-N 359.476 3.721 0 40 FHAB CC(=O)Nc1cccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c1 12975120 XGPUKNOHOIPTAX-FQEVSTJZSA-N 363.417 3.548 0 40 FHAB COc1ccccc1NC(=O)NC[C@H](c1ccccc1OC)N1CCCC1 12977085 KJZHKAMNLQZJJP-GOSISDBHSA-N 369.465 3.662 0 40 FHAB CCc1ccc(-c2noc(Cn3nnc(-c4cccc(Cl)c4)n3)n2)cc1 12995330 KBXGMKFQPCRTLB-UHFFFAOYSA-N 366.812 3.654 0 40 FHAB O=C(CCCc1cccs1)NCc1ccc(C(=O)N2CCCC2)cc1 13003203 DAXQIUJPDABPDM-UHFFFAOYSA-N 356.491 3.623 0 40 FHAB O=C(CN1CC=C(c2c[nH]c3ccccc23)CC1)N1CCc2ccccc2C1 13015120 LMWGZPLZHLOEBQ-UHFFFAOYSA-N 371.484 3.842 0 40 FHAB CCOc1ccccc1[C@@H]1C[C@H](c2ccc(F)cc2)Nc2nc(N)nn21 13131614 XSWVLLHCMKCQLZ-CVEARBPZSA-N 353.401 3.544 0 40 FHAB CCCCOc1cc(S(=O)(=O)NCc2ccccc2)ccc1Cl 8714722 UDXBWAKMWAUSEW-UHFFFAOYSA-N 353.871 3.997 0 40 FHAB CCc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3OC)CC2=O)cc1 4385173 XLQVPHDJDFJTPE-AWEZNQCLSA-N 372.852 3.903 0 40 FHAB Cc1cccc(-c2nc3s/c(=C/c4cccc5ccccc45)c(=O)n3n2)c1 6202355 BJDXYQUPGFYFCI-CPNJWEJPSA-N 369.449 3.827 0 40 FHAB C[C@H](NC(=O)CCNC(=O)c1ccccc1Cl)c1ccc(F)c(F)c1 14117736 DRNAXVRVJPPXOY-NSHDSACASA-N 366.795 3.616 0 40 FHAB COc1ccc([C@@H](NC(=O)c2cc(OC)c(OC)cc2OC)C(C)C)cc1 14139948 VCQGGNHUESYYEM-FQEVSTJZSA-N 373.449 3.848 0 40 FHAB CN(CC(=O)Nc1ccccc1Cl)Cc1nc(-c2cccs2)no1 14188380 SHSZPUALUMEGGF-UHFFFAOYSA-N 362.842 3.522 0 40 FHAB O=C1CN(C(=O)c2cc3c(s2)-c2ccccc2OC3)c2ccccc2N1 14226305 HKDYMOOJMXGVPF-UHFFFAOYSA-N 362.410 3.906 0 40 FHAB CC(C)n1nc(C(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)c2ccccc2c1=O 65814497 REQGASPWTDJGSX-RYTJFDOTSA-N 365.477 3.628 0 40 FHAB C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)N1CCCCC1 6532009 WJENCSUXJMYGAZ-HNNXBMFYSA-N 370.522 3.697 0 40 FHAB Cc1cc(/C=C/C(=O)N(C)Cc2ccc3c(c2)OCCO3)c(C)n1C1CC1 8940134 JXMKGWYQISSIET-WEVVVXLNSA-N 366.461 3.883 0 40 FHAB CCCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OC(C)C)cc1 6756952 BJESSDGGFFNSKA-KRWDZBQOSA-N 362.495 3.610 0 40 FHAB CCOC(=O)C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 4863705 XNCBHYFHIKHIAE-UHFFFAOYSA-N 353.418 3.894 0 40 FHAB O=C(Sc1nnc(-c2ccncc2)o1)c1ccccc1Br 408599166 PNAVOZFUHDOMNK-UHFFFAOYSA-N 362.208 3.827 0 40 FHAB COc1ccc([C@@H]2N=C(O)c3c(sc4c3CCN(C)C4)N2)cc1Cl 6857668 ONKBBPXIAQBKCC-OAHLLOKOSA-N 363.870 3.827 0 40 FHAB CCc1ccc([C@H](C)NC(=O)CSc2ccc3c(c2)OCCO3)cc1 6916195 XGJQDMNJUUHKKG-AWEZNQCLSA-N 357.475 3.990 0 40 FHAB CC(C)(C)OC(=O)NCC(=O)Nc1ccc(OCc2ccccc2)cc1 67125210 NGJTVCBTEPRMSB-UHFFFAOYSA-N 356.422 3.729 0 40 FHAB Cc1ccc(C(=O)OCC(=O)NCc2cccc(C(F)(F)F)c2)cc1C 67197845 WWIJVBIDVSYNTL-UHFFFAOYSA-N 365.351 3.795 0 40 FHAB O=C(CNc1cc(Cl)cc(Cl)c1)NC(=O)NCCc1cccs1 15290875 GEBLMSZDDSPAGI-UHFFFAOYSA-N 372.277 3.535 0 40 FHAB Cc1cccc2nc(C(=O)OCC(=O)C34CC5CC(CC(C5)C3)C4)cn12 5982906 YMUQZXAKNGEUKS-UHFFFAOYSA-N 352.434 3.585 0 40 FHAB COc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1OC 7447613 AEMZZVVLYMOLKF-UHFFFAOYSA-N 368.477 3.620 0 40 FHAB COc1cccc(O[C@H](C)C(=O)Nc2cc(C)nn2Cc2ccccc2)c1 28244202 SWLJLKGPOXVRDG-MRXNPFEDSA-N 365.433 3.654 0 40 FHAB C[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)NCC1CCCCC1 7651371 VFXFSAVCWNBQGB-GFCCVEGCSA-N 357.372 3.947 0 40 FHAB CCOc1ccc(OCCOC(=O)CCC(=O)c2ccc(F)cc2)cc1 7778360 VOFXZSOQIQLAMO-UHFFFAOYSA-N 360.381 3.810 0 40 FHAB C[C@@H](Sc1nnc(Nc2cccc(F)c2)s1)C(=O)NC(C)(C)C 7853121 PMFHDMGOOZKAJC-SECBINFHSA-N 354.476 3.816 0 40 FHAB CC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)c1 7951694 HRJAXYCLHVPZRX-UHFFFAOYSA-N 356.809 3.922 0 40 FHAB C[C@@H]1CCc2sc(C(=O)N(C)CC(=O)Nc3cccc(F)c3)cc2C1 8020536 AAXGJXBGORSTNI-GFCCVEGCSA-N 360.454 3.723 0 40 FHAB O=C(COc1ccc(Cl)cc1)NCC1(c2cccs2)CCOCC1 23238113 WRACBGRDLPUCTI-UHFFFAOYSA-N 365.882 3.645 0 40 FHAB COc1cccc(Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c1 9322597 RMOLTVXUBRUURP-UHFFFAOYSA-N 360.460 3.966 0 40 FHAB COc1ccc(OC)c(/C=C/C(=O)N2CCc3[nH]c4ccccc4c3C2)c1 9899781 KEWIDBDOQCFESE-JXMROGBWSA-N 362.429 3.783 0 40 FHAB CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2cc(Cl)ccc2C)c1C 79111615 NMEXYWSCGKMBAV-UHFFFAOYSA-N 370.858 3.571 0 40 FHAB O=C(COc1ccc2c(c1)CCC2)Nc1csc(-c2ccccn2)n1 95467367 QANXDTWWULEUQP-UHFFFAOYSA-N 351.431 3.711 0 40 FHAB CCOC(=O)CN(C(=O)c1ccc2[nH]c(=S)oc2c1)C1CCCCC1 73819430 CECMUIPKZRKYLQ-UHFFFAOYSA-N 362.451 3.828 0 40 FHAB CCc1n[nH]c(SCc2ccc(NC(=O)/C=C/c3ccco3)cc2)n1 20611440 WSLUWXOQNSKYQQ-MDZDMXLPSA-N 354.435 3.904 0 40 FHAB CCCC(=O)NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20151287 YAPDNAJLARPRGF-UHFFFAOYSA-N 352.843 3.705 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC(c2nc3ccccc3[nH]2)C1 56924062 VFNWAYDOMJFPCF-UHFFFAOYSA-N 369.852 4.000 0 40 FHAB Nc1cc(-c2nn3c(C(F)(F)F)nnc3s2)cc(Cl)c1Cl 73634339 VSVJTOQPJDSXOK-UHFFFAOYSA-N 354.144 3.761 0 40 FHAB COc1ccc(-c2nnc(NC(=O)c3ccc(N(C)C)cc3)s2)cc1 39759874 ATQQPBBYMSONTJ-UHFFFAOYSA-N 354.435 3.532 0 40 FHAB CCOc1ccc(C(=O)Nc2nn3c(C4CCCCC4)nnc3s2)cc1 41108820 NJSITXKGXIXZCY-UHFFFAOYSA-N 371.466 3.885 0 40 FHAB Cc1cnc2c(S(=O)(=O)Nc3cnn(C4CCCC4)c3C)cccc2c1 194226517 GPUPXXFGQWAKPO-UHFFFAOYSA-N 370.478 3.964 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)NCc2cccc(CN3CCCC3)c2)c1 46374933 RXFNSUXNZJRQGM-SFHVURJKSA-N 352.478 3.675 0 40 FHAB COc1ccc(-c2nc(NC(=O)C(C)(C)C)sc2CC(=O)O)c(C)c1 85397402 WTWRZEKUDWZUPX-UHFFFAOYSA-N 362.451 3.739 0 40 FHAB COc1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(OC)c1 222562543 QLKRUNSLKXAZMQ-IGNZVWTISA-N 355.463 3.688 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl 223104370 JWUSGIKUMQMONE-LJQANCHMSA-N 372.896 3.744 0 40 FHAB O=C(/C=C/c1ccccc1)NC[C@](O)(c1ccsc1)c1cccs1 239578979 DCVCCAVUIOPEGE-IBGZPJMESA-N 355.484 3.875 0 40 FHAB Cc1oncc1C(=O)N1CCC2(CC[C@@H](N(C)C)c3ccccc32)CC1 96079639 LKLZPRGSPFDNAX-LJQANCHMSA-N 353.466 3.554 0 40 FHAB Cc1cc(C(=O)N2CCC[C@H](c3ccnc(Nc4ccccn4)c3)C2)no1 257322806 WHLVGBOPIJEKHV-INIZCTEOSA-N 363.421 3.536 0 40 FHAB Cc1ccsc1CN1CC2(C[C@H](OCC3CCOCC3)CS2)C1 253599701 SVRSSAHSTMDHIL-INIZCTEOSA-N 353.553 3.560 0 40 FHAB Cn1nccc1C(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257297085 RFTKSDMUOOZJGI-MRXNPFEDSA-N 370.840 3.630 0 40 FHAB Oc1ccc(CN2CCN(Cc3ccc4scnc4c3)CC2)cc1Cl 1183407050 DESQNYGSNKAHEG-UHFFFAOYSA-N 373.909 3.973 0 40 FHAB Cc1cc(N2CCN(C(=O)c3c(F)cccc3F)CC2)nc2ccccc12 1318268460 IHKJDFRWYSXWCA-UHFFFAOYSA-N 367.399 3.784 0 40 FHAB C[C@]1(CCF)NC(=O)N(CC/C=C/c2ccc(Br)cc2)C1=O 629479940 YICXFLFORFODSO-WPTTZPOMSA-N 369.234 3.523 0 40 FHAB O[C@@H]1[C@@H](NCCc2c[nH]c3ccccc23)CCC[C@H]1Oc1cccc(F)c1 585290446 WKFOSAJRSWKYKW-BHDDXSALSA-N 368.452 3.800 0 40 FHAB Nc1nnc(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)s1 58377098 ZQJIJGGWCCCAIU-UHFFFAOYSA-N 360.251 3.769 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O 5797256 ONIGKZLRWLTXGA-UHFFFAOYSA-N 367.792 3.743 0 40 FHAB O=C(c1ccc(F)cc1)N1CCC(c2nnsc2-c2ccncc2)CC1 12135306 QYQSNGBUFAGDOA-UHFFFAOYSA-N 368.437 3.759 0 40 FHAB CC(=O)N1N=C(c2cccs2)C[C@H]1c1cn(-c2ccccc2)nc1C 12420740 GIOCLKMWGKYVDW-SFHVURJKSA-N 350.447 3.940 0 40 FHAB CCCCN(C)C(=O)c1cc(S(=O)(=O)Nc2ccccc2C)ccc1C 12525927 DLIAZFRKLWQLBQ-UHFFFAOYSA-N 374.506 3.976 0 40 FHAB Cc1[nH]c2ccc(C(=O)OCC(=O)N3CC[C@@H]4CCCC[C@@H]4C3)cc2c1C 12590329 XAXYFEWMZFDJEM-FUHWJXTLSA-N 368.477 3.980 0 40 FHAB CCc1noc(C)c1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 12906627 RPLSSFHVRHTWLB-UHFFFAOYSA-N 370.236 3.563 0 40 FHAB CCN1CCC[C@H]1CN(Cc1ccncc1)Cc1cccc(OC)c1OC 19527218 PFOCQSACHCROIP-FQEVSTJZSA-N 369.509 3.585 0 40 FHAB COc1ccccc1CN1CCO[C@H](c2cc3cc(F)ccc3cn2)C1 19570524 BWUPXDBCPXGFIW-NRFANRHFSA-N 352.409 3.956 0 40 FHAB COc1ccc2cnc([C@@H]3CCCN(C(=O)c4ccccn4)C3)cc2c1C 19582670 BENDGQKSQSPZNE-QGZVFWFLSA-N 361.445 3.967 0 40 FHAB Cc1cc2cc(NC(=O)c3cnc4c(C)cccn4c3=O)cc(Cl)c2o1 19714701 IXTFWXMTBXOWLF-UHFFFAOYSA-N 367.792 3.963 0 40 FHAB CN(C(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1 19928803 WXQVLIRKJTYKKT-UHFFFAOYSA-N 358.854 3.880 0 40 FHAB COC(=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1 6007852 HFBULXCQOYBITB-UHFFFAOYSA-N 360.218 3.581 0 40 FHAB Brc1cnc(OC2CCN(C/C=C/c3ccccc3)CC2)nc1 1888866547 JDKFEEWGBSIPSA-QPJJXVBHSA-N 374.282 3.796 0 40 FHAB O=S(=O)(CCC(F)(F)F)NCCc1ccc(-c2cccs2)s1 1889149302 KSSOVRDUYGLLGQ-UHFFFAOYSA-N 369.455 3.891 0 40 FHAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)NCc1ccccc1F 19628632 BMRMULMSDHWHGM-UHFFFAOYSA-N 372.484 3.555 0 40 FHAB CCCCN(C(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccccc1 23227674 IZBWAUKAAVZHPT-UHFFFAOYSA-N 372.490 3.574 0 40 FHAB CSc1ccc(NC(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)cc1 30562229 NMTFNWMCGLUOCU-OAHLLOKOSA-N 363.870 3.800 0 40 FHAB Cc1ccc(O[C@H]2CCN(C(=O)CCC(=O)c3ccc(Cl)cc3)C2)nc1 238976100 ZUXUFRCBCQDAPG-KRWDZBQOSA-N 372.852 3.686 0 40 FHAB Cc1cnc(C)c(OC2CCN(c3ncnc4sc(C)c(C)c34)CC2)n1 2087145498 QOJFACGWYDNYNF-UHFFFAOYSA-N 369.494 3.763 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)c1oc2ccccc2c1NC(=O)C1CC1 4354020 ZFGRNQLODIHJBP-UHFFFAOYSA-N 364.357 3.762 0 40 FHAB Cn1cccc1[C@@H](CNC(=O)Cc1ccc(Cl)cc1)N1CCCCCC1 11846220 MXNZMDGEKUQOFO-HXUWFJFHSA-N 373.928 3.955 0 40 FHAB Cc1csc(NC(=O)c2cc(O)c(OCc3ccc(F)cc3)cn2)n1 12168746 CJEKWSTTXPAWPZ-UHFFFAOYSA-N 359.382 3.523 0 40 FHAB COc1nn(C)cc1-c1nnc(SCc2cccc3ccccc23)n1C 12422580 LBJHULKGPPZWIO-UHFFFAOYSA-N 365.462 3.670 0 40 FHAB CCc1nc2sc([C@@H](c3ccco3)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 22854020 WEYKRRMZTFAVNK-TYNCELHUSA-N 360.483 3.719 0 40 FHAB COc1ccc(OC)c(NC(=O)Cc2cc(-c3ccc(F)cc3F)on2)c1 23127184 WGBJDTGSRYYLMA-UHFFFAOYSA-N 374.343 3.818 0 40 FHAB O=C(NCc1ccc(Cl)cc1)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 618256846 XVOBMWQTTOHGHG-QGZVFWFLSA-N 356.853 3.974 0 40 FHAB C[C@H](NC(=O)NC[C@H]1COc2ccccc2O1)c1ccc(Cl)s1 40086447 ZCLUDGQEOIFKRH-QWRGUYRKSA-N 352.843 3.602 0 40 FHAB Cc1ccc(CN(CCc2ccccc2)C(=O)c2cnn(C)c2C)s1 40047702 BVIHFGUBSYQQDC-UHFFFAOYSA-N 353.491 3.984 0 40 FHAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCc3ccco3)c12 40128011 BRANWBYJDHKXBM-UHFFFAOYSA-N 352.438 3.895 0 40 FHAB O=S(=O)(c1ccc(F)cc1Cl)N1CCCc2cc(F)c(F)cc21 31669691 WTJYXRSIZXUPPQ-UHFFFAOYSA-N 361.772 3.899 0 40 FHAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)c2ccc(Cl)c(N)c2)C1 100918551 QGYKVZQSMOLYSL-ORAYPTAESA-N 364.873 3.506 0 40 FHAB COc1ccc(Cl)cc1C(=O)OCc1nc(-c2cccc(F)c2)no1 51315107 PTJPTFPKSYDGCB-UHFFFAOYSA-N 362.744 3.895 0 40 FHAB O=C(O)c1cc(F)ccc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 32596906 XFNRDVGXBCPMKE-BQYQJAHWSA-N 355.774 3.590 0 40 FHAB CC(=O)Nc1cccc(NC(=O)Cc2ccc(Br)cc2)c1C 32753707 SOTCILDNQCQAFH-UHFFFAOYSA-N 361.239 3.897 0 40 FHAB CCCn1c2ccccc2c2nnc(SCc3nc(CC)no3)nc21 32778400 GLPYGNKGFXGQRZ-UHFFFAOYSA-N 354.439 3.627 0 40 FHAB Cc1cc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)ccc1F 2943825 LVRNLHDIXQQNON-UHFFFAOYSA-N 373.902 3.999 0 40 FHAB COc1cccc(C(=O)OCC(=O)Nc2ccccc2C(C)C)c1OC 3385485 AZRTXWDGJLNKFK-UHFFFAOYSA-N 357.406 3.623 0 40 FHAB C[C@@H](NC(=O)COC(=O)c1cccc(O)c1)c1ccc(Cl)cc1Cl 3511723 PLMZKINJDYAGPT-SNVBAGLBSA-N 368.216 3.733 0 40 FHAB COc1ccccc1C(=O)Nc1nonc1-c1ccc(Br)cc1 11916345 LQRAAYCLMIKRGY-UHFFFAOYSA-N 374.194 3.760 0 40 FHAB O=C(Nc1nnc(-c2ccco2)s1)c1cccc(Br)c1 17198570 QWHJRSCDHIDINJ-UHFFFAOYSA-N 350.197 3.813 0 40 FHAB CC(C)c1ccc(C[S@](=O)CC(=O)Nc2cc(F)cc(F)c2)cc1 32800983 WOXADNUIZFNGKI-XMMPIXPASA-N 351.418 3.976 0 40 FHAB CCn1c(S[C@H](C)C(=O)NCc2ccccc2)nnc1-c1ccccc1 4594819 ANUKVMXHPKVVRM-OAHLLOKOSA-N 366.490 3.762 0 40 FHAB Cc1ccc([C@@H](CC(=O)N[C@@H]2C[C@H](C)N(C)C[C@@H]2C)c2ccco2)cc1 4812401 ALGBIQNSNSQKKV-RAUXBKROSA-N 354.494 3.955 0 40 FHAB C[C@H]1CN(C(=O)COc2ccc3ccccc3c2)c2ccccc2NC1=O 21803840 UNKUANGWZSHASS-HNNXBMFYSA-N 360.413 3.840 0 40 FHAB CC(=O)Oc1ccc(-c2ccc(C(=O)OCC(=O)OC(C)(C)C)cc2)cc1 2725818 XTDHRJOHNQKRFF-UHFFFAOYSA-N 370.401 3.777 0 40 FHAB CCCC[C@H](c1nnnn1C(C)C)N1CCN(c2cccc(C)c2C)CC1 57670179 OQEDRALLTOOZGN-HXUWFJFHSA-N 370.545 3.924 0 40 FHAB C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Cn1ccc(C(F)(F)F)n1 58649306 GUHSGCDJSUURPR-CYBMUJFWSA-N 351.372 3.729 0 40 FHAB CC(C)(C)C(=O)NC(=S)Nc1ccc(NC(=O)c2ccccc2)cc1 9064125 SYNIVZHVGURXAD-UHFFFAOYSA-N 355.463 3.798 0 40 FHAB COc1ccc(F)cc1S(=O)(=O)N[C@H](C)c1cc(C)c(C)cc1C 22540409 PAPVXNBNWAVJNT-CQSZACIVSA-N 351.443 3.799 0 40 FHAB O=C(Cc1c(F)cccc1Cl)N1CCO[C@@H](c2ccc(F)cc2)C1 29112415 JYYYMONJLCQBNA-QGZVFWFLSA-N 351.780 3.761 0 40 FHAB COc1ccc(CCn2c(C)nc(=O)c(-c3ccccc3)c2C)cc1OC 727446 JLVGWPNERDVNOB-UHFFFAOYSA-N 364.445 3.787 0 40 FHAB Cc1ccccc1O[C@H]1C(=O)N(C2CCCC2)[C@@H]1c1ccc2c(c1)OCO2 816233 AYSPZLVPHOCMQI-NHCUHLMSSA-N 365.429 3.997 0 40 FHAB CN1C(=O)C[C@@H](C(=O)Nc2ccc3cc[nH]c3c2)[C@@H]1c1ccc(Cl)cc1 61719424 KNXMRRJUWHVILJ-APWZRJJASA-N 367.836 3.979 0 40 FHAB CCCCN1CCn2c(nc3cc(C(=O)NC4CCCCC4)ccc32)C1 23411542 CEZVXCGWARPHOV-UHFFFAOYSA-N 354.498 3.715 0 40 FHAB COc1ccc(C)cc1NC(=O)c1c2c(nc3ccccc13)CCN(C)C2 24572553 IJBKQDGGXLMMFD-UHFFFAOYSA-N 361.445 3.792 0 40 FHAB COc1ccc2c(c1)C(=O)CC1(CCN(C(=O)Nc3ccccc3)CC1)O2 170550477 LCVYZTBCFAJFKM-UHFFFAOYSA-N 366.417 3.727 0 40 FHAB Cc1cccc2[nH]cc(CCNC(=O)N3CCCC[C@H]3c3ncc[nH]3)c12 106559342 USOYZVSTGFPRBM-KRWDZBQOSA-N 351.454 3.679 0 40 FHAB CCOc1ccc(CN(CC)C(=O)c2n[nH]c3ccccc23)cc1OC 12550406 VWAXXRMLOCRBAU-UHFFFAOYSA-N 353.422 3.633 0 40 FHAB CCc1ccc(N2C(=O)C[C@H](Nc3ccc(Br)cc3)C2=O)cc1 101275821 UFKDYMJNYCRSQR-INIZCTEOSA-N 373.250 3.756 0 40 FHAB COc1ccc(N[C@@H](C)c2ccc(Cl)cc2)cc1NS(C)(=O)=O 78671633 MUUJEFAMBPFVFB-NSHDSACASA-N 354.859 3.893 0 40 FHAB Cc1cc(C)nc(SCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)n1 3238330 LIDBQYMDPIJYRP-UHFFFAOYSA-N 363.311 3.520 0 40 FHAB NC(=O)[C@@H](OC(=O)COc1ccccc1-c1ccccc1)c1ccccc1 10430157 JCYISEAEEHRASR-NRFANRHFSA-N 361.397 3.502 0 40 FHAB Cc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)cnn1-c1ccccc1 27064373 AHPVUARIZDXXEI-UHFFFAOYSA-N 374.488 3.575 0 40 FHAB Cn1ccnc1[C@H](NC(=O)c1cn(C)c2ccccc12)c1ccccc1F 25468631 AAMAOBJFYJAISV-LJQANCHMSA-N 362.408 3.570 0 40 FHAB C[C@@H]1CCCC[C@H]1OCC(=O)NCc1ccnc(N2CCCCCC2)c1 112817296 YKZYQISBOVLTKO-IEBWSBKVSA-N 359.514 3.674 0 40 FHAB O=c1oc(-c2ccc(F)cc2)nn1Cc1coc(-c2cccc(Cl)c2)n1 26114739 BXXHLEHAUCITQL-UHFFFAOYSA-N 371.755 3.999 0 40 FHAB CC(C)S(=O)(=O)Cc1ccc(NC(=O)Nc2cccc(F)c2)cc1 58217647 XEHWIXSVZHJIJX-UHFFFAOYSA-N 350.415 3.793 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)CSCc2ccc(F)cc2)cc1 20489998 SEXKZQSPLOIOLA-CQSZACIVSA-N 363.454 3.651 0 40 FHAB CC(C)c1noc2ncc(C(=O)NCCc3cccc4cccnc34)cc12 12780995 NXHQYRDTKNCVSN-UHFFFAOYSA-N 360.417 3.867 0 40 FHAB COc1cc(CN(C)Cc2nnc(C)o2)ccc1OCc1ccccc1 48301082 ACECECHJIUVEEB-UHFFFAOYSA-N 353.422 3.598 0 40 FHAB Cc1csc(CNC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)n1 48350218 PLGYAZRBJCTNLC-JTQLQIEISA-N 359.373 3.911 0 40 FHAB C[C@@H]1CCCN(S(=O)(=O)NCCC(c2ccccc2)c2ccccc2)C1 12933876 GGOSQXACZKCBLE-GOSISDBHSA-N 372.534 3.775 0 40 FHAB COc1ccc(COc2ccc3nc4n(c(=O)c3c2)CCCCC4)cc1 12902887 YQGKYDVLMNWGAQ-UHFFFAOYSA-N 350.418 3.711 0 40 FHAB biogenic COC(=O)c1ccc(Cl)cc1OCC(=O)N(CC(C)C)CC(C)C 12983006 ODILSLZSKUBBAB-UHFFFAOYSA-N 355.862 3.646 0 40 FHAB CC(C)c1cccc(C(C)C)c1NC(=O)Cn1nnc2ccccc2c1=O 3617824 OKZKZSRKNXJBMA-UHFFFAOYSA-N 364.449 3.677 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)c2cccc(NC(C)=O)c2)cc1OC 13013087 ZGIWCQZDNSADQN-GOSISDBHSA-N 368.433 3.640 0 40 FHAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccncc3)cc2c1 8578894 CEGUBYAIBRIQKL-UHFFFAOYSA-N 373.412 3.667 0 40 FHAB O=C(NC[C@H]1CCCO1)[C@@H](Sc1nc2ccccc2[nH]1)c1ccccc1 39383549 LAPBUUBMQYWOJC-QAPCUYQASA-N 367.474 3.692 0 40 FHAB C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCc2ccccc21 5127153 LQKAAEAEQAMQGG-HIGJEIRPSA-N 353.462 3.724 0 40 FHAB O=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccccc2)cs1 4325493 GLTUGTKODKTVDS-UHFFFAOYSA-N 372.471 3.613 0 40 FHAB O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCc2sccc2C1 65513942 KIDAXZSOYVGJDP-KRWDZBQOSA-N 358.482 3.684 0 40 FHAB O=C(CCC(=O)Nc1cccc(C(F)(F)F)c1)NCc1cccs1 4549404 ZBSFITHQQCJEJP-UHFFFAOYSA-N 356.369 3.802 0 40 FHAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](C)c2ccc3c(c2)OCO3)c1C 14210734 OBHVKBLWFSTOEV-OAHLLOKOSA-N 361.463 3.688 0 40 FHAB COc1cc(C)sc1C(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 70807639 NUUZJMBMQJSDJF-ZDUSSCGKSA-N 358.463 3.683 0 40 FHAB O=C(COC(=O)c1cc2ccccc2[nH]1)Nc1ccc(Br)cc1 5531676 XBMZIXHDOXKLOF-UHFFFAOYSA-N 373.206 3.726 0 40 FHAB CC(=O)c1ccc(NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 8939851 WXAYRSJJOBJDLT-UHFFFAOYSA-N 361.401 3.513 0 40 FHAB CC[S@@](=O)c1ccccc1C(=O)OCC(=O)c1cc(C)n(C2CC2)c1C 5823695 TXEGMHNQVZHJBD-SANMLTNESA-N 373.474 3.607 0 40 FHAB CC(=O)Nc1ccc(C(=S)NC[C@H](c2ccco2)N2CCCCC2)cc1 5937723 JMMPYPHICOGGOD-GOSISDBHSA-N 371.506 3.730 0 40 FHAB Cc1cc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)c(C)n1C(C)C 7440789 IEUNORNDJQIXKP-UHFFFAOYSA-N 357.841 3.932 0 40 FHAB O=C(/C=C/c1ccco1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 7688270 ZTQRYHYLKBYLMZ-GQCTYLIASA-N 354.387 3.826 0 40 FHAB N[C@H](Cc1ccccc1)c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 16013031 VVOQHWBTNMPHLG-OAHLLOKOSA-N 373.865 3.941 0 40 FHAB O=C(CSc1cn[nH]n1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 9191729 OZVZHOVPHJBSNM-UHFFFAOYSA-N 370.278 3.573 0 40 FHAB C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cccc(Cl)c1 7848227 ITBGVMHEGVUPJZ-CYBMUJFWSA-N 357.841 3.906 0 40 FHAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(F)c(C(F)(F)F)c1 20029765 RXJNOXGJIVGNQC-UHFFFAOYSA-N 355.287 3.797 0 40 FHAB CNC(=O)c1ccc(NC(=O)c2ccc(SC(F)(F)F)cc2)cc1 7964584 GBKOTFHYQGVEIX-UHFFFAOYSA-N 354.353 3.910 0 40 FHAB CN(C)[C@H](CNC(=O)COc1cccc2ccccc12)Cc1ccccc1 8038728 MGNFSQUDOSSPKA-FQEVSTJZSA-N 362.473 3.508 0 40 FHAB COc1ccc(-c2nc(CC(=O)Nc3nnc(C4CC4)s3)cs2)cc1 8114629 GHFVPMCRGMFYMC-UHFFFAOYSA-N 372.475 3.729 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(C3CC3)n2C2CC2)cc1 8190545 XQBJLDLXYIFHJI-GFCCVEGCSA-N 370.478 3.812 0 40 FHAB O=C(O)[C@H]1CS[C@H](c2ccc(Sc3cccc4cccnc34)o2)N1 408988782 FXLXZKMBDYEFOR-BDJLRTHQSA-N 358.444 3.767 0 40 FHAB O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 23140227 ATHMBSHGQXUWML-AWEZNQCLSA-N 371.437 3.886 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 39667682 RNELHSAIKJQLDK-ZGBFETHSSA-N 364.489 3.620 0 40 FHAB CC[C@@H](C)n1ncc2c(C(=O)N3CCOc4ccc(F)cc43)cc(C)nc21 122435726 DDYALYBZXJUACO-CYBMUJFWSA-N 368.412 3.889 0 40 FHAB Cc1ccccc1CSCCNC(=O)c1ccc(N2CCCC2=O)cc1 219198750 PFBOZICASDMIDG-UHFFFAOYSA-N 368.502 3.785 0 40 FHAB Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN(C(=O)C(C)(C)O)C3)c2)c1 72354144 PBCGKLKWRNWTHG-HXUWFJFHSA-N 366.505 3.766 0 40 FHAB O=C(COc1ccc(Cl)cc1)NCc1cccc(CN2CCCC2)c1 32462000 MRVWFXHQTHBNNU-UHFFFAOYSA-N 358.869 3.631 0 40 FHAB Cc1c(-c2nn3c(-c4cc(Cl)cc(Cl)c4)nnc3s2)cnn1C 36357070 NTYXTFLFBIFFLZ-UHFFFAOYSA-N 365.249 3.869 0 40 FHAB CCc1nnc(Nc2cncc([C@H]3CCCN3Cc3ccccc3)n2)s1 72376198 PKJNSRFLYGKGDE-MRXNPFEDSA-N 366.494 3.971 0 40 FHAB Nc1cc(Cl)c(NC(=O)c2cccc(Cl)c2)cc1N1CCOCC1 72229301 ICKCIRMWBXPSTR-UHFFFAOYSA-N 366.248 3.665 0 40 FHAB CCCSc1nnc(NC(=O)COc2ccc3c(c2)CCCC3)s1 222904811 GFMVUYSIVXRQME-UHFFFAOYSA-N 363.508 3.937 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)nc(CC)n3C)cc1 225896979 MOMQDKUBCBLPCH-UHFFFAOYSA-N 351.406 3.565 0 40 FHAB COc1cc2c(cc1S(=O)(=O)Nc1ccc(F)c(F)c1)CCCC2 224800883 DERSCLCFCYIGQL-UHFFFAOYSA-N 353.390 3.653 0 40 FHAB O=C(CSCc1c(F)cccc1Cl)NCCOc1ccccc1 223455369 NNZMFVFUBWTATP-UHFFFAOYSA-N 353.846 3.908 0 40 FHAB CC[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1C)c1ccc(C)cc1 44883972 LONOBDZBRSGQIM-KRWDZBQOSA-N 360.479 3.556 0 40 FHAB CC[C@@H](Oc1ccccc1)C(=O)NCCCN1CCCc2ccccc21 222870004 SXSUTLSHRUJTAZ-OAQYLSRUSA-N 352.478 3.803 0 40 FHAB COc1ccc(S(=O)(=O)NCc2ccc3ccccc3c2)cc1Cl 222772807 YJTNVYJBZQGGQR-UHFFFAOYSA-N 361.850 3.980 0 40 FHAB CC(C)Sc1nnc(NC(=O)COc2cccc3c2CCCC3)s1 224199305 FAZNEWJNADHDIN-UHFFFAOYSA-N 363.508 3.935 0 40 FHAB CCOc1ccc(CCC(=O)NCCc2ccc(F)cc2)cc1OCC 224394145 TZHPQSZHXQXORM-UHFFFAOYSA-N 359.441 3.915 0 40 FHAB O=C(NCc1nc(-c2cccc(Br)c2)no1)Nc1ccccc1 95482462 HZSJHSPSBKMROM-UHFFFAOYSA-N 373.210 3.821 0 40 FHAB Fc1ccc(CN2CCC3(CC2)C[C@@H](OCc2ccncc2)CO3)cc1 96106825 RTNYDLLFFGUHNW-HXUWFJFHSA-N 356.441 3.561 0 40 FHAB Cc1ccc(CN2CCC3(CC2)C[C@H](OCC2CCOCC2)CO3)cc1 96106688 NFHKUMSXRVXOSM-NRFANRHFSA-N 359.510 3.562 0 40 FHAB O=C(c1cccc(Cl)c1)N1CCC2(CC1)C[C@H](Nc1ccccn1)CO2 96221308 ANLZLJIXHYWSQI-KRWDZBQOSA-N 371.868 3.611 0 40 FHAB CC(C)[C@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)c1ccccc1 255189846 SMUJUQUNZPDFSQ-GOSISDBHSA-N 356.466 3.861 0 40 FHAB Cc1cc(Br)ccc1C(=O)N1CCO[C@@H](Cc2ccccc2)C1 540678062 YJWSPDOMVMXKFC-KRWDZBQOSA-N 374.278 3.841 0 40 FHAB Cc1nc(CC2CC2)sc1C(=O)N(Cc1ccccc1)CC1(CO)CC1 585082194 ZJWVLGPJOREEEU-UHFFFAOYSA-N 370.518 3.819 0 40 FHAB C[C@@H]1CN(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 585145830 NTLJAKUNSKHLGK-CQSZACIVSA-N 359.470 3.719 0 40 FHAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(CC4CCOCC4)[C@@H]3C[C@H]21 257250221 JLPHBOQWTOCTDJ-UKAVVXHISA-N 357.494 3.805 0 40 FHAB Cn1cccc1C(=O)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1 679459718 CWMZEBMTNPEVGT-INIZCTEOSA-N 368.412 3.972 0 40 FHAB Cc1nc(-c2ccccn2)sc1C(=O)n1ccc(-c2cccc(N)c2)n1 1615547909 VYFRKKMIOFOFMQ-UHFFFAOYSA-N 361.430 3.648 0 40 FHAB CO[C@H](C(=O)Nc1ccc(F)cc1Nc1ccccc1F)[C@@H]1CCOC1 613419224 KLSRXARUSWIZDR-XIKOKIGWSA-N 362.376 3.698 0 40 FHAB O=C(NCC1(c2ccccc2Cl)CC1)c1cc(C(F)(F)F)cnc1O 635750673 TUYNHURHJWJCLF-UHFFFAOYSA-N 370.758 3.921 0 40 FHAB Cc1oncc1C(=O)Nc1ccc(NC(=O)c2cc3ccccc3n2C)cc1 57236963 NBKQHQSLIFQOEG-UHFFFAOYSA-N 374.400 3.979 0 40 FHAB CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccccc1SC(F)F 78800967 OOYDPWODJMFNDX-ZDUSSCGKSA-N 373.469 3.576 0 40 FHAB Cc1c(Br)csc1C(=O)NCC[C@@](C)(O)c1ccccc1 1615610140 CRUXUSKQIYNCOJ-MRXNPFEDSA-N 368.296 3.847 0 40 FHAB CCc1ccc(S(=O)(=O)N2CCc3c(F)cc(F)cc3C2)cc1CC 1654702206 DTEXAKXDKZVAMJ-UHFFFAOYSA-N 365.445 3.837 0 40 FHAB CC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)c(C)c1 5127147 XLKAUMVILSXFDA-UHFFFAOYSA-N 368.252 3.761 0 40 FHAB COC(=O)[C@H](C)Sc1nnc(-c2ccccc2OC)n1-c1ccccc1 5736480 REOGCGOFQPBFCE-ZDUSSCGKSA-N 369.446 3.597 0 40 FHAB [O-][n+]1ccccc1SCc1cccc(CSc2cccc[n+]2[O-])c1 5780158 KIKSYCMXMYGFFL-UHFFFAOYSA-N 356.472 3.538 0 40 FHAB CC(C)N1CC[C@H](CCc2ccc(NC(=O)c3cc[nH]n3)cc2)[C@@H](C)C1 12087360 ZPDOVFWOQIPZDK-WMZOPIPTSA-N 354.498 3.961 0 40 FHAB COc1ccccc1/C=C/CN1CCC(O)(c2ccccc2OC)CC1 12293075 KSCAEZIEGYVKQO-VQHVLOKHSA-N 353.462 3.701 0 40 FHAB CCOc1ccc2[nH]c3c(=O)n(CCc4ccc(OC)cc4)cnc3c2c1 13655758 RNIOKCHMIHDJSS-UHFFFAOYSA-N 363.417 3.528 0 40 FHAB COc1cc(CN(Cc2ccccc2)C[C@@H]2CCCO2)cc2c1OCO2 13993342 WYEGNDCKPGASIA-SFHVURJKSA-N 355.434 3.605 0 40 FHAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)N(C)Cc1ccc2c(c1)OCO2 15029511 GUTPUOLIWMWIQH-CYBMUJFWSA-N 360.841 3.836 0 40 FHAB COc1ccc(NC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)cn1 17296588 KGCBIVUJELGGKN-UHFFFAOYSA-N 356.813 3.798 0 40 FHAB CN1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)[C@@H]1CCCCO1 19590802 FQVUGRRMENTATC-WOZUAGRISA-N 374.500 3.564 0 40 FHAB O=C(C1CCCC1)N1CCO[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 19693059 RPQDFIIFMRKOAG-QGZVFWFLSA-N 371.868 3.887 0 40 FHAB Fc1ccc(-n2cc(-c3cncn3CCCN3CCCCC3)cn2)cc1 19719682 HMGRNCMNJQBYQM-UHFFFAOYSA-N 353.445 3.751 0 40 FHAB CCCCn1c(=N)n(C[C@H](O)c2ccc(OCC)cc2)c2ccccc21 19854820 KWKHHNGAXLWMJS-FQEVSTJZSA-N 353.466 3.855 0 40 FHAB Cc1cccc(CN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)c1 6478742 CRRWOIOTUUGKOX-RQZCQDPDSA-N 353.399 3.960 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2nc(Cl)ccc2Cl)c1C 3597501 MMSNMNCLYSCZEY-UHFFFAOYSA-N 369.204 3.576 0 40 FHAB O=C(Nc1cc(Cl)ccc1N1CCCC1)[C@@H]1COc2ccccc2O1 5200784 MQBXPYXOQDQCOW-SFHVURJKSA-N 358.825 3.719 0 40 FHAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)N(C)c3ccccc3)n2C)cc1 10264142 MBWQQYNQDRLUFD-HNNXBMFYSA-N 366.490 3.934 0 40 FHAB CCOc1ccc(NC(=O)NCCc2ccc(-c3cnn(C)c3)s2)cc1 1889229272 DQUKXLXJBRMLQH-UHFFFAOYSA-N 370.478 3.912 0 40 FHAB O=S(=O)(/C=C/c1ccccc1)N[C@H](c1ccccc1)c1ccccn1 25658119 JEBVLBWCCOUUCZ-KETLNSEPSA-N 350.443 3.761 0 40 FHAB CC(=O)N[C@H](C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)C 26913528 ANPMZRQJQPGSSS-LBPRGKRZSA-N 370.293 3.823 0 40 FHAB CCC[C@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)c1ccccc1 32675920 OMANHZMSJFZUEK-NRFANRHFSA-N 351.494 3.961 0 40 FHAB Cc1nn(C)c2ncc(NC(=O)CO[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)cc12 36392377 JDWDKAMTUXPBIU-MZMPZRCHSA-N 358.486 3.693 0 40 FHAB COc1cc(OC)cc(C(=O)N2CCN=C2SCc2ccccc2C)c1 4120014 XBMRWYJIPABSFB-UHFFFAOYSA-N 370.474 3.757 0 40 FHAB COc1ccc(NC(=O)CSc2nccn2Cc2ccccc2)cc1 7391548 KRKKIFKFHCKQKL-UHFFFAOYSA-N 353.447 3.671 0 40 FHAB Cc1ccc(C(=O)N2CCC[C@]3(CC2)CN(Cc2cccs2)CCO3)o1 2055793299 MKWQECVXYLPXEO-FQEVSTJZSA-N 374.506 3.547 0 40 FHAB CCCCN1CCC(C[C@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)O)CC1 12242113 XMSKYCUDNXLPAV-QGZVFWFLSA-N 362.445 3.676 0 40 FHAB COc1cccc(CN(C)C(=O)NCCSCc2ccccc2F)c1 40071166 OACNKQNCEBYWHI-UHFFFAOYSA-N 362.470 3.909 0 40 FHAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cccc(C[S@@](C)=O)c1 30134949 VSJVXUHSMDBQKO-VDRITILZSA-N 359.535 3.854 0 40 FHAB COc1ccc(N2C(=O)[C@H](Oc3ccccc3F)[C@H]2c2cccnc2)cc1 40156594 KAMGYSISSYITNM-WOJBJXKFSA-N 364.376 3.765 0 40 FHAB C[C@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1nc2cc(Cl)ccc2n1C 40153910 SZKSTYZWODILQY-WFASDCNBSA-N 368.868 3.594 0 40 FHAB CC(C)C(=O)Nc1ccc(CNC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 30979968 AXRCCUWJLNUGMR-CQSZACIVSA-N 371.403 3.765 0 40 FHAB CCCCn1c(=O)c(C(=O)Nc2cccc(OC)c2)c(O)c2ccccc21 100512636 UYIGKCWZDZWXSJ-UHFFFAOYSA-N 366.417 3.768 0 40 FHAB CCOC(=O)COc1cccc(NC(=O)CSCc2cccs2)c1 32033921 FJTVPARVNHRSME-UHFFFAOYSA-N 365.476 3.562 0 40 FHAB Cc1cc(OCC(=O)Nc2cccc(N3CCCC3=O)c2)ccc1Cl 11916499 YTHNQWCTMXKBLF-UHFFFAOYSA-N 358.825 3.793 0 40 FHAB CCc1nnc(NC(=O)CSc2nc3cc(OC)ccc3cc2C)s1 933000 CSYSRBQCCRLRNU-UHFFFAOYSA-N 374.491 3.697 0 40 FHAB COc1cccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(Cl)cc2)c1 1016448 PVRKLKZSPPCXGF-QGZVFWFLSA-N 371.824 3.615 0 40 FHAB CN(C)C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1 32781215 LKEGZUFQWJDSKF-QGZVFWFLSA-N 350.384 3.667 0 40 FHAB CCn1cc(-c2cc(C(=O)N3CCSCC3)c3ccccc3n2)c(C)n1 2809131 UIUBJWIJHPOVDI-UHFFFAOYSA-N 366.490 3.616 0 40 FHAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2cc(C)cc(C)c2)CC1=O 3565957 BUEIPAAENIWUDR-INIZCTEOSA-N 352.434 3.694 0 40 FHAB COCCN(Cc1cccs1)C(=O)c1ccc(-n2nc(C)cc2C)cc1 32819188 OENHFVFDTZKQTQ-UHFFFAOYSA-N 369.490 3.839 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1ccc(Cl)s1 4242816 WGOJEWXCFDTVFC-LBPRGKRZSA-N 351.855 3.696 0 40 FHAB Cc1cccc(C)c1N1C[C@H](C(=O)Oc2cccc3cccnc23)CC1=O 7929447 UKMPVQVWXINUAL-QGZVFWFLSA-N 360.413 3.810 0 40 FHAB Cc1ccccc1C(=O)OCC(=O)Nc1ccc(C(=O)OCC(C)C)cc1 7939758 CNWGPNXGFBNWLI-UHFFFAOYSA-N 369.417 3.603 0 40 FHAB CC(C)c1noc(CCC(=O)Nc2cc3c(cc2Cl)OCCCO3)n1 33166681 CGVIARHUNCCMJA-UHFFFAOYSA-N 365.817 3.579 0 40 FHAB C[C@H](Sc1nnc(N2CCCC2)s1)C(=O)c1c[nH]c2ccccc12 52911806 WGLJVXBWDFBCCE-NSHDSACASA-N 358.492 3.983 0 40 FHAB CCN(CC)c1ccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)cn1 53508222 XBZCWEGQONAHCS-UHFFFAOYSA-N 350.422 3.539 0 40 FHAB CN(C)[C@@H](CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccco1 23236009 JBHDTJFPJRMOFM-IBGZPJMESA-N 351.450 3.672 0 40 FHAB Cc1cccc(-n2ccnc2SCCNC(=O)OCC(F)(F)F)c1C 78448796 SQEGNMZZDYYTPD-UHFFFAOYSA-N 373.400 3.870 0 40 FHAB CN(C)Cc1cc([C@H]2CC[C@H](CN(C)C(=O)C[C@@H]3C=CCC3)CC2)nn1C 100687618 KRPCGJGUTDFNKL-QRVBRYPASA-N 372.557 3.570 0 40 FHAB c1csc(Cc2n[nH]c(SCc3nc(-c4ccsc4)no3)n2)c1 55043688 HTTWCCWILMGRPA-UHFFFAOYSA-N 361.477 3.861 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCN(c2ccccc2F)CC1 12549170 ODSIVTYRUCQOBF-QGZVFWFLSA-N 355.457 3.592 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)CNc1ccccc1N1CCCC1=O 12515668 ZOQATPGQOJOQJL-UHFFFAOYSA-N 357.841 3.826 0 40 FHAB Cc1ccc([C@@H](NC(=O)CCNC(=O)c2ccc(F)cc2F)C2CC2)cc1 25161121 XZZYQURRQAFZID-HXUWFJFHSA-N 372.415 3.661 0 40 FHAB O=C(CSc1ccc(Cl)cc1)Nc1nnc(C(F)(F)F)s1 1397836 CBHGBDRCXZQNJP-UHFFFAOYSA-N 353.778 3.941 0 40 FHAB COc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc2c(s1)CCCCC2 55841693 UBBAPBXALNFTHG-UHFFFAOYSA-N 372.490 3.980 0 40 FHAB C[C@@H](NC(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1)c1ccccc1 3247209 DEJPEARLAZMDIN-CQSZACIVSA-N 373.836 3.724 0 40 FHAB O=C(Nc1ccccc1Cc1ccccc1)c1cc(N2CCOCC2)ccn1 25784903 UWEGXECIGVEYTQ-UHFFFAOYSA-N 373.456 3.761 0 40 FHAB CC(=O)N[C@@H](CC(=O)Nc1ccc(Br)cc1)c1cccs1 12618148 AOBGPGBOAOEZKR-ZDUSSCGKSA-N 367.268 3.717 0 40 FHAB COc1ccc([C@@H](C)NC(=O)COCc2ccccc2Cl)cc1F 44354582 JDEOWHDPOXBOKZ-GFCCVEGCSA-N 351.805 3.882 0 40 FHAB COc1ccc(Cl)cc1CN(C)[C@@H](C(=O)NC1CC1)c1ccccc1 57624524 SPMJCXBCTBXDAE-LJQANCHMSA-N 358.869 3.800 0 40 FHAB O=C(Nc1ccn(Cc2ccccn2)n1)C1(c2cccc(Cl)c2)CC1 58216901 JTFOAPHJHIWKMA-UHFFFAOYSA-N 352.825 3.650 0 40 FHAB c1ccc(CN2CCC(NC[C@@H](c3ccco3)N3CCCC3)CC2)cc1 22912364 UYBZORVQUQCHCU-NRFANRHFSA-N 353.510 3.671 0 40 FHAB CCc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)cc1 3346250 VRLNZZAUFPCYKI-HXUWFJFHSA-N 370.836 3.552 0 40 FHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@H]1Oc2ccccc2O[C@H]1C 58393711 HTWIQIUBBQPDNO-RFUYNDQBSA-N 355.434 3.946 0 40 FHAB COc1cn(-c2ccccc2)nc1C(=O)N(C)[C@@H](C)c1ccc(F)cc1 58408506 KODSVNJTAYEQMV-AWEZNQCLSA-N 353.397 3.853 0 40 FHAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2nccs2)CC1 10673900 JZENXHVMQASTRZ-GFCCVEGCSA-N 367.927 3.626 0 40 FHAB CCN(CC)CCNC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 12788222 GVLALLGPTVTQIY-UHFFFAOYSA-N 368.506 3.672 0 40 FHAB CSc1nc(NC[C@@H]2CCCO2)c2c3c(sc2n1)COC(C)(C)C3 2399751 GHXQPCMRTBHCST-JTQLQIEISA-N 365.524 3.855 0 40 FHAB CC(C)c1nc2oc3c(NCCCN(C)C)ncnc3c2c2c1CCC2 2359851 OFIMRTYKUMGAEX-UHFFFAOYSA-N 353.470 3.747 0 40 FHAB CCOc1ccc([C@@H]2C[C@@H](c3ccccc3OC)n3ncnc3N2)cc1 2369338 JJVIPUHAVYLQPG-ROUUACIJSA-N 350.422 3.832 0 40 FHAB COc1cccc([C@@H](NC(=O)c2ccccc2Cl)c2nccn2C)c1 29092351 KGLVLGKSVPVBCU-QGZVFWFLSA-N 355.825 3.602 0 40 FHAB Cc1ccc(NC(=O)N2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1 2526680 WDTQLUJPEWRMRU-UHFFFAOYSA-N 352.438 3.685 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(NC(=O)C3CC3)cc2)c1 12901350 KMMPZBHVIGSMQA-CYBMUJFWSA-N 368.433 3.543 0 40 FHAB CC1CCN(Cc2csc(NC(=O)c3cc(F)cc(F)c3)n2)CC1 12972329 MYHUDWWFWDHNFK-UHFFFAOYSA-N 351.422 3.906 0 40 FHAB COc1cc(OC)c(OC)cc1CNC(=O)c1cc2ccccc2cc1O 13020811 KQCFWFMGVNEWAF-UHFFFAOYSA-N 367.401 3.501 0 40 FHAB CCc1ccccc1[C@H](CC(=O)OC)N[C@@H]1C(C)=C(C)C(=O)N1C(C)(C)C 13893031 BPEQGMXSCPTRIG-ICSRJNTNSA-N 372.509 3.746 0 40 FHAB COc1ccc(-c2cc3ccc(OC(=O)N(C)C)cc3oc2=O)cc1OC 4340211 KDSDBNRYUWOCMA-UHFFFAOYSA-N 369.373 3.538 0 40 FHAB biogenic CCCCCC(=O)Nc1ccc(C(=O)COc2ccc(C(N)=O)cc2)cc1 6290143 RESBCQBOMVZMHM-UHFFFAOYSA-N 368.433 3.566 0 40 FHAB COc1cc(N[C@H](C)c2nc(C(C)(C)C)no2)ccc1N1CCCC1=O 65534094 FQDODFZWQCONDB-GFCCVEGCSA-N 358.442 3.676 0 40 FHAB C[C@H]1CCCCN1C(=O)CSc1nnc(NC2CCCCC2)s1 14137595 LRMRUBCGLSQSHG-LBPRGKRZSA-N 354.545 3.776 0 40 FHAB CC(=O)N1CCC[C@H](C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)C1 14169690 CHTVCRZICXMPML-KRWDZBQOSA-N 352.434 3.984 0 40 FHAB COc1ccccc1CNc1nc(-c2ccc3c(c2)CC(=O)N3C)cs1 14158541 CDACPTXDSFEAFM-UHFFFAOYSA-N 365.458 3.950 0 40 FHAB CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)O)cc1 4550485 MEKJCJOZRBFCMJ-GFCCVEGCSA-N 372.446 3.689 0 40 FHAB Cc1c(CC(=O)NCc2ccc(Cl)cc2)c(=O)oc2c(C)c(O)ccc12 4540660 MLIMCKQHLCNVFX-UHFFFAOYSA-N 371.820 3.628 0 40 FHAB Cc1nccn1-c1ccccc1CNC(=O)[C@@H](C)Oc1cccc(Cl)c1 22511455 MWGYJROXMKZAAF-CQSZACIVSA-N 369.852 3.918 0 40 FHAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2c(F)cccc2Cl)NC(=O)N1 5517306 IUOSOHNNJILZBH-MRXNPFEDSA-N 359.788 3.746 0 40 FHAB CCc1cc(S(=O)(=O)NCc2cccc(OC(C)C)c2)ccc1OC 113971323 ZYSSYZCPUTWKQW-UHFFFAOYSA-N 363.479 3.523 0 40 FHAB CSc1nnc(SCC(=O)N2c3ccccc3CC[C@@H]2C)s1 8778306 RUPKTMIIAUNLEC-JTQLQIEISA-N 351.522 3.720 0 40 FHAB Cc1ccsc1C(=O)OCC(=O)Nc1nc(C)c(Cl)cc1Cl 5938210 NHDQFFXHVNMHIE-UHFFFAOYSA-N 359.234 3.862 0 40 FHAB Cc1ccc(C(=O)N2CCC(NC(=O)N(C)Cc3cccs3)CC2)cc1 67422313 KYIBBRIGLZGGOV-UHFFFAOYSA-N 371.506 3.503 0 40 FHAB COc1ccc(OC)c(S(=O)(=O)N(C)Cc2ccc3ccccc3c2)c1 18940765 BVXXTZNFQLKWCF-UHFFFAOYSA-N 371.458 3.678 0 40 FHAB CC(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 16099493 UOZDOSKBWOVMOK-UHFFFAOYSA-N 359.234 3.753 0 40 FHAB COc1ccc(Cl)cc1NC(=O)CN1CCc2sccc2[C@H]1C 7878468 WWUBIBIDUMHKKP-LLVKDONJSA-N 350.871 3.968 0 40 FHAB C[C@@H](Sc1nc2ccccc2c(=O)n1C1CC1)C(=O)Nc1ccccc1 7860848 IRJJHKIKWVJSHD-CYBMUJFWSA-N 365.458 3.851 0 40 FHAB CS(=O)(=O)c1cccc(NC(=O)/C=C/c2ccc(F)c(Cl)c2)c1 7944802 CJJGXZFZMQUBLF-SOFGYWHQSA-N 353.802 3.535 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@H]1CCOc2ccccc21 7964756 IIXZAPCNUDEFFA-PMACEKPBSA-N 362.429 3.591 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1ccccc1Cl 7952124 VCPLCPKYDFBYBR-IBGZPJMESA-N 354.837 3.920 0 40 FHAB CCOc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c(OCC)cc1C 16780066 QYFILAGRULHCMS-UKRRQHHQSA-N 355.500 3.649 0 40 FHAB Cc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(C)cc3C)n2)c1 78579782 REYWGNPOIOXILL-MRXNPFEDSA-N 365.433 3.746 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1C 78579775 DFMUIVUKWZSWRM-MRXNPFEDSA-N 365.433 3.779 0 40 FHAB CCCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1OC 9169216 BQJFEWWOICGLGV-UHFFFAOYSA-N 350.418 3.870 0 40 FHAB Cc1cc(C)n(-c2nc(C)c(Br)c(NC3CCCC3)n2)n1 9303261 XRYUVXXZXGQBQG-UHFFFAOYSA-N 350.264 3.705 0 40 FHAB Cc1occc1-c1nnc(S[C@H]2C[C@@H](C)OC2=O)n1-c1ccccc1 9471149 RUQDQFGHSKWZFU-ABAIWWIYSA-N 355.419 3.632 0 40 FHAB O=C1CSc2ccc(C(=O)N[C@H](c3ccccc3)C(F)(F)F)cc2N1 84522083 HBMYXSITGMIIBT-OAHLLOKOSA-N 366.364 3.764 0 40 FHAB CCOC(=O)c1cnn(-c2cc(Oc3cc(C)ccc3C)nc(C)n2)c1C 19910135 SAQVAWKWVXPWAA-UHFFFAOYSA-N 366.421 3.865 0 40 FHAB CS[C@H]1CC[C@@H](N(C)C(=O)CCCc2nnc(-c3ccccc3)o2)C1 78934094 ILSAUEKYQXTLOU-CVEARBPZSA-N 359.495 3.802 0 40 FHAB CCCc1nn2c(=O)c(NC(=O)c3ccc(C(C)(C)C)cc3)cnc2s1 9615199 VTUTWWMWCPBRJD-UHFFFAOYSA-N 370.478 3.653 0 40 FHAB Cc1ccc(C)c(N2CN(CCCN(C)C)CN=C2c2ccccc2)c1 22609063 RWPSHTWSGLHIAM-UHFFFAOYSA-N 350.510 3.739 0 40 FHAB CCN(CC)Cc1ccc(CNC(=O)N2CCc3ccccc3C2)cc1 9875263 XOEKPQSDUDWPCO-UHFFFAOYSA-N 351.494 3.796 0 40 FHAB C[C@@H](CC(=O)N1CCCc2c(NC(N)=O)cccc21)c1ccccc1F 89894522 JKNRKYLEEIRGCQ-ZDUSSCGKSA-N 355.413 3.789 0 40 FHAB Cc1nc(C)n([C@H](C)CC(=O)N[C@H]2[C@H](c3ccccc3)[C@H]3CCC[C@H]32)n1 409412870 WQWTYTKZVQFANT-PHUZRIEPSA-N 352.482 3.545 0 40 FHAB C[C@@H](OC(=O)Cc1csc(-c2ccccc2)n1)C(=O)Nc1ccccc1 23051058 OLNQIGSBLZXODY-CQSZACIVSA-N 366.442 3.923 0 40 FHAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCc1ccccc1C(F)(F)F 27974356 JLDYKCSDZNVKIC-NSHDSACASA-N 367.323 3.518 0 40 FHAB CCc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)OC)cc1 409104223 BWQGNAOOSXIHCL-UHFFFAOYSA-N 367.474 3.686 0 40 FHAB COc1ccccc1Nc1nc2nccc(-c3cccs3)c2c(=O)[nH]1 39403992 ZLHXXXYCDVCDCV-UHFFFAOYSA-N 350.403 3.799 0 40 FHAB O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)c1c[nH]cc1-c1ccccc1 531273610 KVGQRLNUMCYSDX-HNNXBMFYSA-N 367.399 3.969 0 40 FHAB CCOc1ccc(-c2nc(CC(=O)Nc3ccccc3)no2)cc1OCC 35316279 QGDWZOZMRYHRQS-UHFFFAOYSA-N 367.405 3.715 0 40 FHAB CC[C@H](Oc1ccccc1C)C(=O)N1CCN(c2ccccc2OC)CC1 30758119 JOSCEQDVHLXJRU-IBGZPJMESA-N 368.477 3.510 0 40 FHAB Cc1cc(C)c(C)c(OCC(=O)NCc2ccccc2-n2ccnc2C)c1 38771910 NNZBMOGPCXCNKO-UHFFFAOYSA-N 363.461 3.801 0 40 FHAB CCc1ccccc1O[C@@H](C)C(=O)N1CCN(c2ccccc2F)CC1 30755106 MKAYHTCXOCLVMK-INIZCTEOSA-N 356.441 3.504 0 40 FHAB CCCn1c(O)nnc1S[C@H](C(=O)Nc1ccccc1Cl)C(C)C 32325609 TVQVKQUGIJDZQK-ZDUSSCGKSA-N 368.890 3.803 0 40 FHAB CCc1nc2ccccc2n1CC(=O)Nc1ccc2c(C)cc(C)nc2n1 72346821 PEJNTPYAUIKCCP-UHFFFAOYSA-N 359.433 3.797 0 40 FHAB COCCN(C(=O)c1csc(Nc2ccccn2)n1)c1ccccc1 1569112510 APMLCDJNFDHOOK-UHFFFAOYSA-N 354.435 3.575 0 40 FHAB C[C@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]12 226627733 TZAFNFPJXKADMZ-NOXHYTERSA-N 371.742 3.582 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)c1C 42853551 AABVXVZPSIUYEW-QGZVFWFLSA-N 366.461 3.945 0 40 FHAB COC(=O)c1ccc(C)c(NC(=S)NC2(c3cccnc3)CCCC2)c1 225856264 UTFCXAXZMAIIKR-UHFFFAOYSA-N 369.490 3.933 0 40 FHAB CC(C)c1ccc2c(c1)CCCN2C(=O)[C@@H]1CCCN1C(=O)c1ccco1 40157449 RUZVDAGNAIJDKQ-IBGZPJMESA-N 366.461 3.987 0 40 FHAB CC[C@H](NC(=S)Nc1cccc(F)c1)c1ccc(S(C)(=O)=O)cc1 225723736 ANAQUEGEKIUNRB-INIZCTEOSA-N 366.483 3.667 0 40 FHAB CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2cccs2)NC(=S)N1C 84677735 ZBEWJJOUUKKUFA-OAHLLOKOSA-N 361.467 3.661 0 40 FHAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCN(c2ccccc2)CC1 195564218 CWCFAXAWBDHHTJ-GIVPXCGWSA-N 358.526 3.813 0 40 FHAB COc1cccc(OCCNC(=O)COc2cc(C)c(Cl)c(C)c2)c1 224259211 PNWSJRNFGUQNSD-UHFFFAOYSA-N 363.841 3.539 0 40 FHAB O=C(NC[C@@H](O)c1csc2ccccc12)c1ccc(C(F)(F)F)nc1 225695287 CLWPRUHSSOGZBX-CYBMUJFWSA-N 366.364 3.779 0 40 FHAB Cc1cccc(-c2nc(CC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)cs2)c1 95476241 JAXPNMAEBZEIIY-UTKZUKDTSA-N 370.518 3.815 0 40 FHAB CC(C)n1cc(CCC(=O)Nc2nc([C@@H]3CCCO3)n[nH]2)c2ccccc21 95477901 MNXCWDUJPWLIEW-KRWDZBQOSA-N 367.453 3.763 0 40 FHAB Cn1ccnc1N1CCC(NC(=O)c2ccc(C3CCCCC3)cc2)CC1 330309198 UBLYBBHAGBZCTH-UHFFFAOYSA-N 366.509 3.867 0 40 FHAB COC(=O)C[C@H](c1ccc(-c2ccccc2)o1)c1oc(C)cc(=O)c1O 96114569 QODFJZRJVYIKAA-CQSZACIVSA-N 354.358 3.609 0 40 FHAB biogenic O=S(=O)(Nc1ccc(Br)c(F)c1)c1cc(F)cc(F)c1 95067986 GEEFBKJZNYDMNE-UHFFFAOYSA-N 366.158 3.667 0 40 FHAB Cc1ccccc1CN1CC2(C1)OCC[C@@H]2CCOCc1ccncc1 248134929 CIZBRPAVWPHJJA-NRFANRHFSA-N 352.478 3.588 0 40 FHAB COc1cc(N2CCOC(C)(C)C2)ccc1N[C@H](C)c1cc(C)nn1C 585081415 BFTLLJILPDINDJ-OAHLLOKOSA-N 358.486 3.525 0 40 FHAB CC(C)CCc1noc(CN(Cc2ccc(F)cc2)C2CCOCC2)n1 585082873 CBQBPPGBHCMIHI-UHFFFAOYSA-N 361.461 3.979 0 40 FHAB Cc1cnccc1-c1nc(-c2ccc(OCCN3CCCC3)cc2)no1 585084167 BHHSFBIZFITLGY-UHFFFAOYSA-N 350.422 3.582 0 40 FHAB C[C@]1(c2ncc(Cc3ccccc3)o2)CCCN(C(=O)c2ccccn2)C1 257265532 LZATVEMUDOJVPC-QFIPXVFZSA-N 361.445 3.854 0 40 FHAB C[C@H](O)[C@@H](NC(=O)NCCc1ccc(C(F)(F)F)cc1)c1ccccc1 663400468 QOQMNQUGTWCAOE-SUMWQHHRSA-N 366.383 3.669 0 40 FHAB O=S(=O)(N[C@H]1CCC[C@H]1Cc1ccccc1)c1cccc2scnc12 1654256694 HXHOYVDRMGYOPI-HOTGVXAUSA-N 372.515 3.986 0 40 FHAB CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(Cl)nc2nc[nH]c12 230829261 LEGPZYOEPWOPTD-UHFFFAOYSA-N 369.809 3.683 0 40 FHAB O=C(C[C@@H](NCc1ccc(Cl)cc1)C(=O)O)c1ccc(Cl)cc1 5634311 AXAUIOUQLSAYMF-OAHLLOKOSA-N 352.217 3.809 0 40 FHAB Cn1cc(C(=O)OCC(=O)c2cccc(Br)c2)c2ccccc21 5703302 OYARSVBPHKXHQY-UHFFFAOYSA-N 372.218 3.981 0 40 FHAB Cc1ccc(C)c(N2CCN(C[C@@H](O)c3c[nH]c4ccc(F)cc34)CC2)c1 19133732 VZYOEZCTRYVAES-JOCHJYFZSA-N 367.468 3.779 0 40 FHAB CS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCCN(Cc2cccs2)C1 19573331 LETYHRIUJJBBSP-LBPRGKRZSA-N 370.927 3.580 0 40 FHAB COC(=O)c1cccc(CNCCc2c(C)[nH]c3ccc(OC)cc23)c1 19848664 DCNHCKZTSYOXED-UHFFFAOYSA-N 352.434 3.604 0 40 FHAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@H](C(=O)c2ccccc2F)C1 12141962 YLJCPGGTDHJHDW-AWEZNQCLSA-N 371.456 3.592 0 40 FHAB Fc1ccc(CN2CC[C@@H](Oc3ccncc3Br)C2)cc1 1888860190 SRNJARRWGWALRZ-CQSZACIVSA-N 351.219 3.637 0 40 FHAB CN(Cc1ccc(Cl)cc1)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 23479843 HQJMPVJBHJGRIT-UHFFFAOYSA-N 359.882 3.759 0 40 FHAB CNC(=O)[C@H]1CCCCN1C(=O)/C=C/c1cc(C)n(C2CCCCC2)c1C 33212208 QFIKXVBCHCAUEE-DRUFCSCSSA-N 371.525 3.750 0 40 FHAB CCOc1ccccc1NC(=O)CSc1ccc(-c2ccncc2)nn1 4358061 GHQBQWMQDPTITC-UHFFFAOYSA-N 366.446 3.668 0 40 FHAB O=C(Cc1ccc2c(c1)OCO2)Nc1nc2c(s1)COc1ccccc1-2 9521491 GIQXHEKMZQDPHD-UHFFFAOYSA-N 366.398 3.612 0 40 FHAB O=C(NCCCSc1ccc(Br)cc1)Nc1ncccn1 10220853 SJEXDHSXXOHORE-UHFFFAOYSA-N 367.272 3.543 0 40 FHAB CCOc1ccccc1NC(=O)C(=O)NCC1(c2cccs2)CCCC1 13804345 WAWXRXHJIWCXCQ-UHFFFAOYSA-N 372.490 3.714 0 40 FHAB Cc1ccsc1CCC(=O)N1[C@H]2CC[C@H]1CC(Oc1cccnc1)C2 585148931 OYGPGCILSBRTBO-HOTGVXAUSA-N 356.491 3.985 0 40 FHAB O=C(NCc1ccc(-c2ccoc2)nc1)c1cc(-c2cccs2)on1 585403900 LDYODUYGGVROBH-UHFFFAOYSA-N 351.387 3.988 0 40 FHAB Cc1ccccc1OS(=O)(=O)c1cc(Br)cnc1Cl 40135566 NYSJJYKZFPRLRL-UHFFFAOYSA-N 362.632 3.574 0 40 FHAB CCOC1CCN(C(=O)N[C@H](C)Cc2ccc(Br)cc2)CC1 50151489 FRNDMHMCJCVNSU-CYBMUJFWSA-N 369.303 3.591 0 40 FHAB CCN(C(=O)[C@@H](C)Sc1nc2nc(C)c(C)c(C)n2n1)c1ccccc1 40119174 AFHRXTBAJGDNBA-OAHLLOKOSA-N 369.494 3.583 0 40 FHAB CC(C)Oc1ccc(NC(=O)CCCn2c(=O)oc3ccccc32)cc1 40122327 UEWRBOKXWYSGTO-UHFFFAOYSA-N 354.406 3.801 0 40 FHAB Cn1ccnc1[C@H](NCc1cnn(Cc2ccccc2)c1)c1ccccc1 30643896 IIMLUYNARBOUAR-OAQYLSRUSA-N 357.461 3.544 0 40 FHAB O=C(CCC1CCCCC1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 20494708 SLHXZXYWUQHXHO-QGZVFWFLSA-N 358.482 3.894 0 40 FHAB Cc1nn(-c2ccc(O)nn2)c2c1[C@H](c1ccc(C(C)C)cc1)CC(O)=N2 31817629 IUKNRSAYHGFSTL-HNNXBMFYSA-N 363.421 3.923 0 40 FHAB CS(=O)(=O)c1ccccc1C(=O)N[C@@H](c1cccs1)C1CCCC1 31805204 GTELECRCLFBWMI-QGZVFWFLSA-N 363.504 3.813 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3nnc(C(C)C)s3)no2)cc1OC 46086753 YKWTXXYWAOAQFU-UHFFFAOYSA-N 374.422 3.586 0 40 FHAB CC(C)(C)c1nc2cc(NS(=O)(=O)c3ccc(C(=O)O)cc3)ccc2o1 46303792 VQYAUZQXXJKSOA-UHFFFAOYSA-N 374.418 3.624 0 40 FHAB Cc1c(-c2ccccc2)oc2c(C(=O)NC[C@@H]3CCCO3)cccc2c1=O 2642737 MHCWOFGDXRWKLT-INIZCTEOSA-N 363.413 3.677 0 40 FHAB CCc1nnc(NC(=O)c2cccnc2Nc2ccccc2OC)s1 21288738 WIJPCIPSOXYQNN-UHFFFAOYSA-N 355.423 3.500 0 40 FHAB Cc1nn(CCCNC(=O)c2ccc(Cl)cc2)c(C)c1Br 2798137 BYTBAEPYXYVBJD-UHFFFAOYSA-N 370.678 3.736 0 40 FHAB O=C(c1ccccc1)N1C[C@@H]2C[C@H](C1)c1c(-c3ccccc3)ccc(=O)n1C2 4258763 SNSBZISSGPAVKS-FXAWDEMLSA-N 370.452 3.775 0 40 FHAB biogenic,in-vitro Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc3c(s2)CCC3)c(C)c1 8055046 BMJZWGIEUWKEBA-UHFFFAOYSA-N 356.491 3.873 0 40 FHAB O=C1C[C@H](c2cccs2)Cc2nc3nc(-c4ccc(F)cc4)nn3cc21 8570246 CIFISHHRALGWLY-GFCCVEGCSA-N 364.405 3.905 0 40 FHAB COc1ccc([C@@H](CNC(=O)c2ccc(C(C)=O)s2)N2CCCC2)cc1 21912104 ALNPYSUGIFEODI-QGZVFWFLSA-N 372.490 3.526 0 40 FHAB CC(C)c1ccsc1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 53154151 RDIHSCGBNDJGLB-LBPRGKRZSA-N 351.493 3.766 0 40 FHAB CCN(CC)C1=NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S1 22195134 NCVUMSMSVAYUED-GFCCVEGCSA-N 374.293 3.662 0 40 FHAB COc1ccccc1N1CCN(C(=O)c2oc3ccc(F)cc3c2C)CC1 634103 VMYDLHLBASQURR-UHFFFAOYSA-N 368.408 3.851 0 40 FHAB Cc1cccc(N(Cc2ccc(Br)cc2)S(C)(=O)=O)c1 687839 KRBAQIBCAMWVNU-UHFFFAOYSA-N 354.269 3.724 0 40 FHAB O=c1cc(CSc2nncs2)c2ccc(Br)cc2o1 22557148 RBVGOWMTNKVIQC-UHFFFAOYSA-N 355.238 3.699 0 40 FHAB Cc1nc(-c2cc(C)n(CC(=O)NCCc3cccs3)c2C)cs1 25248225 YKYJSZYILKBCKP-UHFFFAOYSA-N 359.520 3.957 0 40 FHAB O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)c1cccnc1S 53995715 QWXFBSFTVBKVRN-UHFFFAOYSA-N 355.394 3.627 0 40 FHAB Cc1cccc(OCCNC(=O)CNc2cccc(C(F)(F)F)c2)c1 24040080 PNEAKGFHYXNESD-UHFFFAOYSA-N 352.356 3.621 0 40 FHAB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccncc2)cc1 12551257 SNOILOIPKNYDQZ-HOTGVXAUSA-N 367.449 3.502 0 40 FHAB CCc1ccc(N2C(=O)C[C@H](Nc3ccccc3Br)C2=O)cc1 101275825 BTGPHCIYMVVIKC-INIZCTEOSA-N 373.250 3.756 0 40 FHAB CCN(Cc1cccc(NC(=O)c2scnc2C)c1)C(=O)C(F)(F)F 55323967 BGYILFQGDMSDQR-UHFFFAOYSA-N 371.384 3.615 0 40 FHAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)[C@H]2CC(c3cccc(F)c3)=NO2)o1 106571485 QBHLZNGYDNHCNO-SMNXXWJPSA-N 356.397 3.694 0 40 FHAB COc1cccc(NC(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)c1 25061228 RVMYKIPAAHCWTF-UYAOXDASSA-N 351.450 3.843 0 40 FHAB CC(C)[C@@H](NC(=O)NCc1ccnc(N2CCCC2)c1)c1ccccc1 26302860 ADKXYTQUEWKNEA-HXUWFJFHSA-N 352.482 3.878 0 40 FHAB CCOC(=O)c1c(NC(=O)CN(C)C2CCCCC2)sc2c1CCC2 3237473 YXVVBJZXBDGEKC-UHFFFAOYSA-N 364.511 3.617 0 40 FHAB O=C(COC(=O)CC1CCCC1)Nc1ccc(Br)cc1F 3234782 KHHGRIPXNVEIDQ-UHFFFAOYSA-N 358.207 3.650 0 40 FHAB CC(=O)c1ccccc1NC(=O)[C@H](C)N(C)Cc1nc2ccccc2s1 27541596 DVNVWMFVTPYSOQ-ZDUSSCGKSA-N 367.474 3.958 0 40 FHAB CCSc1nn2c(=O)cc(COc3ccc(C(C)C)cc3)nc2s1 20858966 JYZAWCWCUSJDDD-UHFFFAOYSA-N 361.492 3.965 0 40 FHAB Cc1nc(CCNC(=O)c2ccc(OCc3c(C)noc3C)cc2)cs1 22761503 UBHGFTCULCOKSB-UHFFFAOYSA-N 371.462 3.608 0 40 FHAB Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NCc1nc(C(C)C)no1 58201036 AGFXPPMNXNDNMA-CQSZACIVSA-N 356.470 3.986 0 40 FHAB Cc1noc([C@H]2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)C2)n1 58201123 HROMMRFVACPPBJ-NSHDSACASA-N 354.332 3.808 0 40 FHAB CCc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1CC 27826009 CRQVLTUIYOYXSE-UHFFFAOYSA-N 373.503 3.771 0 40 FHAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)N1CCCCC1 28042924 NCFXVIYMALKCFV-NSHDSACASA-N 351.299 3.717 0 40 FHAB Cc1ccc(NC(=O)CN(C)c2ncnc3sc4c(c23)CCCC4)cc1 3319668 AHZCKCPAHIJSSC-UHFFFAOYSA-N 366.490 3.953 0 40 FHAB Cc1cc(N[C@@H](C)C(=O)Nc2ccc(F)cc2)ccc1N1CCCC1=O 10746897 FUVFLDPLJAJCNG-AWEZNQCLSA-N 355.413 3.700 0 40 FHAB Cc1nc(-c2ccco2)nc2sc(C(=O)N3C[C@@H](C)OC[C@@H]3C)c(C)c12 45449634 VXEYMQTYGLEXRL-WDEREUQCSA-N 371.462 3.818 0 40 FHAB O=C(CC[C@H]1NC(=O)c2ccccc2N=C1O)Nc1cccc2ccccc12 36594872 SOGGDXSMIHSBTK-LJQANCHMSA-N 373.412 3.959 0 40 FHAB COc1ccc([C@@H]2CC(=O)c3cn4c(nc3C2)nc2ccccc24)cc1OC 2431257 AZRBBFKNOFZXCO-AWEZNQCLSA-N 373.412 3.812 0 40 FHAB Cc1nn(C[C@@H](C)C(=O)Nc2ccc(-n3ccnc3C)cc2)c(C)c1Cl 28241029 DYHSIMPWYKBUJX-GFCCVEGCSA-N 371.872 3.922 0 40 FHAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)Oc1ccc2c(c1)OCO2 29082991 XMSHFEXJXZIHFZ-UHFFFAOYSA-N 373.311 3.887 0 40 FHAB NC(=O)Cc1ccccc1NC(=O)N[C@@H](c1cccs1)C1CCCC1 45723078 VJDIRTUMUGDNIY-GOSISDBHSA-N 357.479 3.829 0 40 FHAB O=C(c1ccc(Cl)c2cccnc12)N1CCN(c2ccccc2)CC1 45869888 IDKJVUWUPUJWKO-UHFFFAOYSA-N 351.837 3.851 0 40 FHAB O=C1CCCN1CCCNc1nc(-c2cccs2)nc2ccccc12 3491043 IEYUWVYDKQTBSJ-UHFFFAOYSA-N 352.463 3.783 0 40 FHAB Cc1ccc(C)c(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)c1 3527652 LLGFMKVESSYORP-FQEVSTJZSA-N 370.836 3.607 0 40 FHAB O=C1C[C@@H](C(=O)OCc2cccc3cccnc23)c2ccc(F)cc2N1 12950351 LESUDHYPYRTZSQ-MRXNPFEDSA-N 350.349 3.543 0 40 FHAB COc1ccc(C(=O)Nc2nc([C@@H]3COc4ccccc4O3)cs2)cc1 13721478 JLFLQQXQKPYONG-KRWDZBQOSA-N 368.414 3.917 0 40 FHAB CCOC(=O)c1sc(NC(=O)CC[C@@H]2CCCO2)nc1-c1ccccc1 71880657 YKJMKEXEGICUJJ-AWEZNQCLSA-N 374.462 3.885 0 40 FHAB CN(C)C1(CNC(=S)Nc2ccc(OC(F)F)cc2)CCCCC1 6335976 NQDGFPCMXLELTJ-UHFFFAOYSA-N 357.470 3.839 0 40 FHAB CCN1CCN(c2ccc(NC(=O)c3ccccc3OC)cc2Cl)CC1 4451385 WKPWPQPLJKMEQY-UHFFFAOYSA-N 373.884 3.743 0 40 FHAB COC[C@H](C)NC(=O)CSc1nc2ccccc2n1-c1cccc(C)c1 14095915 VGYIQXPBOWCPPA-HNNXBMFYSA-N 369.490 3.577 0 40 FHAB Cc1ccc(C(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)s1 8924814 RJQAAFPLROHLNG-UHFFFAOYSA-N 364.517 3.957 0 40 FHAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccc(F)cc1F 14138820 PDQYEFDBDWPVFI-QGZVFWFLSA-N 374.387 3.512 0 40 FHAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(N2CCOCC2)s1 14239712 SWTRAORECNGYMM-PTNGSMBKSA-N 374.849 3.583 0 40 FHAB O=C(Nc1ccc(OCCN2CCCCC2)cc1)c1ccc2c(c1)OCO2 28243380 WMHKZPZRMFSDTD-UHFFFAOYSA-N 368.433 3.532 0 40 FHAB O=C(COc1ccc(F)cc1Br)c1ccc2c(c1)OCO2 7032597 DNRNSRFGEGNXKA-UHFFFAOYSA-N 353.143 3.579 0 40 FHAB COc1ccccc1CNC(=O)CCCSc1nc2ccccc2[nH]1 15653538 XZCPFIGGZVSUPY-UHFFFAOYSA-N 355.463 3.760 0 40 FHAB CCC(=O)c1ccc(OCC(=O)Nc2ccnn2Cc2cccs2)cc1 7793976 XEZUIPKCJNWDGR-UHFFFAOYSA-N 369.446 3.603 0 40 FHAB Cc1nc2ccc(NC(=O)[C@@H](NC(=O)c3ccco3)C(C)C)cc2s1 7808002 IHZQKKZQWVBSIG-INIZCTEOSA-N 357.435 3.591 0 40 FHAB CNc1snc(C)c1C(=O)O[C@H](C)c1nnc(-c2cccc(C)c2)o1 16553162 LAEMXYCJLHTLTQ-LLVKDONJSA-N 358.423 3.770 0 40 FHAB CC[C@@H]1c2ccsc2CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 16778140 NLJPJUTXEVRYDO-CQSZACIVSA-N 361.463 3.924 0 40 FHAB CCN1CCN(c2ccc(Nc3ncnc4sccc34)cc2C)CC1 16739034 INRQTMFISOBGPZ-UHFFFAOYSA-N 353.495 3.885 0 40 FHAB Cc1sc2ncn(Cc3cc(Cl)c4c(c3)OCCO4)c(=O)c2c1C 8327463 XZJMOPJJIDMDNC-UHFFFAOYSA-N 362.838 3.548 0 40 FHAB CCC(C)(C)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 60624459 IYLGOLNZFICGJL-UHFFFAOYSA-N 364.442 3.545 0 40 FHAB CCOc1cc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2C)cc1Cl 27588328 JDYSNYRXEKOAEO-JTQLQIEISA-N 352.283 3.955 0 40 FHAB CSc1ncccc1C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C 17368055 DCWBHFITUCUICB-QGZVFWFLSA-N 358.463 3.702 0 40 FHAB COc1c(C)cccc1C(=O)NC(=S)Nc1nc2ccccc2s1 9426143 KPVBNNYPCDEUST-UHFFFAOYSA-N 357.460 3.740 0 40 FHAB O=C(CCn1ccc2ccccc21)Nc1cccc(-c2nnnn2C2CC2)c1 9680631 CIVZLAVJOMRJSP-UHFFFAOYSA-N 372.432 3.659 0 40 FHAB CCCOc1c(Cl)cc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1OCC 84756767 NDNHHLYLKCNYKZ-GJZGRUSLSA-N 355.862 3.561 0 40 FHAB COCc1ccccc1NC(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C 95452059 KRUPRHSWUHGQLY-MSOLQXFVSA-N 367.493 3.960 0 40 FHAB Cn1ccnc1COc1ccc(CN2CCOc3ccc(F)cc32)cc1 79074787 GGBCZICAQZHUDC-UHFFFAOYSA-N 353.397 3.537 0 40 FHAB COC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 20044544 XZSSGQYJHMLEDV-UHFFFAOYSA-N 366.461 3.957 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)NCc1ccoc1 171678321 KCNJFIUYOGXHNL-AYOQOUSVSA-N 366.461 3.680 0 40 FHAB CCOc1ccc(-n2nnc3c2SC[C@@]3(O)c2ccc(Cl)cc2)cc1 35682862 AKVFNECWWXZCOM-GOSISDBHSA-N 373.865 3.661 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCCn1cccc1 524732231 QTEFPQVZZPWAHI-IBGZPJMESA-N 351.450 3.952 0 40 FHAB biogenic Cn1cncc1CN1CCC[C@H]1c1cncc(Oc2ccc(Cl)cc2)n1 72384448 MCGODIFZVJFVEQ-SFHVURJKSA-N 369.856 3.993 0 40 FHAB O=C(c1cc(-c2ccco2)cs1)N1CCN(Cc2ccccc2)CC1 72243235 UUECMRLALNNEPL-UHFFFAOYSA-N 352.459 3.966 0 40 FHAB c1csc(-c2nc(NCCc3ccncc3)ncc2-c2cnccn2)c1 72338759 VJFVBXZWMCJJSO-UHFFFAOYSA-N 360.446 3.712 0 40 FHAB O=C(NCCc1csc(-c2ccncc2)n1)c1ccc(F)c(F)c1F 31773238 UOPYEKJVUZRJQJ-UHFFFAOYSA-N 363.364 3.595 0 40 FHAB O=C(Cn1ccc2c(Br)cccc21)Nc1ccc2c(c1)OCO2 40285697 CBCYELHHDYOZKH-UHFFFAOYSA-N 373.206 3.771 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)CCCc1cccs1)c1ccccc1F 40013264 VTIKSZTYAHHICJ-SFHVURJKSA-N 357.454 3.849 0 40 FHAB C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 42646016 VFHBSUSWQDQPGV-NSHDSACASA-N 351.233 3.852 0 40 FHAB Cc1sc2nc(SCC(=O)N[C@@H]3CCCC[C@H]3C)nc(N)c2c1C 40063002 SIRDJMLMPNWYHO-BXKDBHETSA-N 364.540 3.677 0 40 FHAB O=C(c1ccc(Cl)cc1)N1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21 40386317 UDIQGYSPUFDYNQ-KRWDZBQOSA-N 368.820 3.522 0 40 FHAB CC(C)Oc1ccc(NC(=O)C2(C)COC(c3cccs3)OC2)cn1 225921719 MBIDDXQLPICZHN-UHFFFAOYSA-N 362.451 3.621 0 40 FHAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1 223409293 CSZQNYZUNOBUDK-RBUKOAKNSA-N 364.474 3.591 0 40 FHAB Cc1ccc(C)c(OCCNS(=O)(=O)Cc2c(F)cccc2Cl)c1 224012844 LTJAGJYPISMLRA-UHFFFAOYSA-N 371.861 3.594 0 40 FHAB Cc1nn(C)c2nccc(N3CCC(n4c(C)nc5ccccc54)CC3)c12 333828099 IXNGNCAEJGCBND-UHFFFAOYSA-N 360.465 3.776 0 40 FHAB Cc1c[nH]c(-c2nccnc2[C@@H]2CCCN(Cc3cc(F)ccc3F)C2)n1 257247411 IYYBHKTYEPGWQY-CQSZACIVSA-N 369.419 3.833 0 40 FHAB O=C(N[C@H]1CCOC2(CCC2)C1)c1csc(Cc2cccc(F)c2)n1 540941569 DRDIPEGSTRNRKA-HNNXBMFYSA-N 360.454 3.705 0 40 FHAB O=C(Nc1cccc(-c2ccc(O)nn2)c1)c1cc(-c2ccccc2)on1 61459868 VCLOKZPMVUOGHZ-UHFFFAOYSA-N 358.357 3.757 0 40 FHAB CN1[C@H](c2ccccc2)C[C@@]2(C)[C@@H]1CCCCCN2C(=O)c1ccn(C)n1 257254136 KBUNYNSIFMOZDZ-ONTIZHBOSA-N 366.509 3.640 0 40 FHAB O=C(c1c[nH]cn1)N1CCC[C@H]1c1cncc(Oc2ccc(Cl)cc2)n1 257294728 QVKRZJOAIQHXKC-INIZCTEOSA-N 369.812 3.623 0 40 FHAB Cc1cc(N2CCCC[C@H]2C)nc(NC(=S)NCc2ccc(C)o2)n1 260707616 AFRSVAHLSJFYCK-CYBMUJFWSA-N 359.499 3.552 0 40 FHAB CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](c2ccc(F)cc2)C1 612201720 JYPOETWVKAPMSA-QXAKKESOSA-N 371.456 3.526 0 40 FHAB O=C(O)c1ccc(CN2CCC[C@H]2c2nccc(C(F)(F)F)n2)s1 656760882 JCXMPZWZFKYCTQ-JTQLQIEISA-N 357.357 3.592 0 40 FHAB Cc1cnc([C@H](C)N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)o1 679432276 CWLUOQPLSRUTNV-GOEBONIOSA-N 371.485 3.775 0 40 FHAB C[C@@H](NC(=O)N1CCC[C@H](n2ccnc2)C1)c1ccc(F)cc1Cl 605981451 PFCUTIDPNAFIBX-OCCSQVGLSA-N 350.825 3.783 0 40 FHAB Cc1nn(CCNC(=O)NCc2ccc(F)cc2)c(C)c1-c1cccs1 575612481 FTLOXHSPUHBSQO-UHFFFAOYSA-N 372.469 3.867 0 40 FHAB CC(C)(C)c1ccc(C(=O)N2CC[C@@H](Oc3ncc(Cl)cn3)C2)cc1 575605367 KGXZHHMSGLZQNQ-MRXNPFEDSA-N 359.857 3.721 0 40 FHAB CC(=O)N1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 585263146 OPEVLJBHLPTVHB-CQSZACIVSA-N 354.841 3.776 0 40 FHAB COc1cc([C@@H](C)NC(=O)CCc2ccccn2)ccc1OCC(C)C 58015790 FBIVVEBLCSIEID-MRXNPFEDSA-N 356.466 3.935 0 40 FHAB O=C(NCc1ccncc1)c1cc(Br)ccc1Br 642778 QHYGBGVHEOFLSG-UHFFFAOYSA-N 370.044 3.537 0 40 FHAB N=c1sc2c(n1CC(=O)c1ccc(Br)cc1)CCCC2 5569401 BNPYZSGURCJYQU-UHFFFAOYSA-N 351.269 3.553 0 40 FHAB C[C@@H](Sc1nc(-c2ccccc2O)n[nH]1)C(=O)Nc1cccc(Cl)c1 5487368 GXMIJJXVOAQWQF-SNVBAGLBSA-N 374.853 3.950 0 40 FHAB Cc1ccc(C)c(NC(=O)[C@H]2CSCN2C(=O)OCc2ccccc2)c1 5542483 TYOOKWOSGLGOBU-GOSISDBHSA-N 370.474 3.954 0 40 FHAB Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c1 16020481 GZCJKMXOFRUFEV-UHFFFAOYSA-N 372.490 3.649 0 40 FHAB CC[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccc(OC)cc1 18132062 UZXOIAKFSUUURR-HXUWFJFHSA-N 366.461 3.632 0 40 FHAB O=C(c1cc(C2CCN(CCc3ccccc3)CC2)no1)N1CCCCC1 19371236 FYIALUBZSAKJPU-UHFFFAOYSA-N 367.493 3.723 0 40 FHAB Cc1ccc(C)c(COC(=O)c2ccc(CNC(=O)NC(C)C)cc2)c1 5562248 WZDBNIVFTGBMDN-UHFFFAOYSA-N 354.450 3.868 0 40 FHAB CC(C)n1nccc1NC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1 15183403 DZFYBMLFONEUGA-UHFFFAOYSA-N 373.428 3.597 0 40 FHAB CC(=O)Nc1ccc(N[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc1 33040162 LECGDLIFOOXVPA-XOBRGWDASA-N 351.450 3.639 0 40 FHAB O=C(CSc1nnc(-c2ccccc2F)o1)N1CCCc2ccccc21 780981 ZICUZCXQJWERBN-UHFFFAOYSA-N 369.421 3.947 0 40 FHAB CCOc1ccc(CC(=O)Nc2cccc(-c3ccc(OC)nn3)c2)cc1 5259472 KMZUOHCEMZVZDK-UHFFFAOYSA-N 363.417 3.732 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2[C@H](C)Nc3ncnn3[C@@H]2c2cccs2)c(C)c1 11694940 AVSIXKSRHTWGDQ-IAOVAPTHSA-N 367.478 3.615 0 40 FHAB Cc1cccc(-c2noc(CSc3nc4ccsc4c(=O)n3C)n2)c1 16843300 VYCRIINEYLOFHI-UHFFFAOYSA-N 370.459 3.646 0 40 FHAB COc1ccc(CCC(=O)NCCc2ccc(N3CCCC3)cc2)cc1 16847180 YBEQWHBJAWJDAM-UHFFFAOYSA-N 352.478 3.587 0 40 FHAB CC(C)CCNc1ccc(S(=O)(=O)Cc2ccc(Cl)cc2)nn1 16843379 UHQIJLSHWYMCMH-UHFFFAOYSA-N 353.875 3.562 0 40 FHAB O=C(NCCN1CCO[C@H](c2ccccc2)C1)c1ccc2ccccc2c1 23127762 RIKPPOUZYUDXIQ-QFIPXVFZSA-N 360.457 3.643 0 40 FHAB O=C(/C=C/c1ccco1)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 220892595 JYCDCIYBPKADJV-GJBLVYBDSA-N 369.446 3.886 0 40 FHAB O=C(NCc1ccc(-c2ccoc2)o1)C(=O)Nc1ccc(F)c(Cl)c1 575610498 OHJUNDWWGQPEHV-UHFFFAOYSA-N 362.744 3.587 0 40 FHAB Cn1c(SCCCOc2cccc(C(=O)O)c2)nnc1-c1ccccc1 8731719 FAKRGAHFPGLNLF-UHFFFAOYSA-N 369.446 3.742 0 40 FHAB Cc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)n(C(C)C)n1 38502899 AGLYYSYMZFELJF-UHFFFAOYSA-N 368.462 3.852 0 40 FHAB C[C@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)CSc1ccccc1Cl 40069796 ZMCYQNGRCAMYKP-JSGCOSHPSA-N 374.893 3.826 0 40 FHAB CCOC(=O)[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(F)(F)F 1856222 XXFDIRNZDDTXKF-VIFPVBQESA-N 359.131 3.609 0 40 FHAB Cc1c(O)ccc2c(CSc3ncn(-c4ccccc4)n3)cc(=O)oc12 32883948 YMVJSAOMWWUDTK-UHFFFAOYSA-N 365.414 3.680 0 40 FHAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NCc1coc(-c2cccs2)n1 102587926 MEFSJQBTXQEUPM-RCRDTURJSA-N 372.490 3.741 0 40 FHAB Cc1ccc(-n2c(S[C@@H](C)C(N)=O)nnc2-c2cccc(C)c2)cc1 6830391 VBKBMRZQRYFDJH-AWEZNQCLSA-N 352.463 3.517 0 40 FHAB Cc1ccc(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)cc1Cl 109495563 WJQKYYCHMFJGPZ-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB O=C(NCc1ccc(-n2cccn2)cc1)c1cc(F)ccc1Br 32925654 KQMZHTMNNSDMDW-UHFFFAOYSA-N 374.213 3.704 0 40 FHAB Cc1ccc(SCC(=O)NCc2ccccc2CN2CCCC2)cc1 8012246 BJQBDIJABKCFDR-UHFFFAOYSA-N 354.519 3.999 0 40 FHAB C[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCc3ccccc32)C1 46869666 MHZIYAZABLGYJH-NEWSRXKRSA-N 354.494 3.641 0 40 FHAB COC(=O)c1ncn(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)n1 102817146 GDFIRYXTLQNLDH-UHFFFAOYSA-N 371.387 3.955 0 40 FHAB CCOC(=O)c1c(NS(=O)(=O)c2ccc(C)cc2)sc2c1CCC2 59460986 WKVYKWVTLSFUNJ-UHFFFAOYSA-N 365.476 3.523 0 40 FHAB Cc1nc(C(C)(C)C)sc1C(=O)Nc1cccc(C(=O)NC2CC2)c1 61134523 STOMAGUWQHRQCS-UHFFFAOYSA-N 357.479 3.894 0 40 FHAB COc1ccc(CN(C)C(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 9063086 UTUSHPAIGNYHQZ-UHFFFAOYSA-N 366.505 3.874 0 40 FHAB O=C(O)c1cc(NS(=O)(=O)c2ccc(F)cc2Cl)ccc1Cl 47318125 HHMBZKFXGVTZSR-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB Cc1noc(C)c1S(=O)(=O)Nc1cc(Br)ccc1Cl 61693043 LONXAKNVMHOVIA-UHFFFAOYSA-N 365.636 3.508 0 40 FHAB CCc1ccc(OCC(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1 814048 HUICFBYNDHOKOE-UHFFFAOYSA-N 369.446 3.835 0 40 FHAB O=C1COc2cc(C(=O)Nc3ccc4c(c3)-c3ccccc3C4)ccc2N1 22973076 NEEVSLSBLACABM-UHFFFAOYSA-N 356.381 3.841 0 40 FHAB CCCNC(=O)CSc1nc(-c2ccccc2)c2c(C)cc(C)nn12 24048188 AIRHKFZSRAIBNZ-UHFFFAOYSA-N 354.479 3.631 0 40 FHAB CCCc1ncc(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)cn1 100763696 NWPBPVSPDJBKJZ-RTBURBONSA-N 355.457 3.583 0 40 FHAB Cc1nn(CCC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c(C)c1Br 101616435 NETKLWUSJJMSHT-JUDXGUMMSA-N 368.319 3.593 0 40 FHAB CCCn1c(NC(=O)C[C@@H](NC(C)=O)c2cccs2)nc2ccccc21 12507137 LRGXWYSLEBGOAU-OAHLLOKOSA-N 370.478 3.714 0 40 FHAB O=C(CN1CCc2ccccc2C1)Nc1cc(C2CC2)nn1-c1ccccc1 24716275 GZPMAQQZWYMOHM-UHFFFAOYSA-N 372.472 3.747 0 40 FHAB Fc1ccc(NC(=S)NC2C[C@H]3CC[C@H](C2)N3Cc2ccco2)cc1 100423671 VOSBFSUBVACZDG-IAGOWNOFSA-N 359.470 3.901 0 40 FHAB CCn1c(=O)c2ccccc2n2c(COc3ccc4ccccc4c3)nnc12 26776819 ZOEXVNVJSQPXGB-UHFFFAOYSA-N 370.412 3.796 0 40 FHAB CC(C)c1ccc(-c2nc(C(=O)NCC(=O)NC(C)(C)C)cs2)cc1 24778171 OLKUYQKAYXHRQX-UHFFFAOYSA-N 359.495 3.578 0 40 FHAB O=S(=O)(Nc1cccc2cccnc12)c1ccccc1OC(F)(F)F 12552412 OQWIVYNOXDXJAX-UHFFFAOYSA-N 368.336 3.934 0 40 FHAB O=c1cc(CSc2nccn2-c2cccc(Cl)c2)nc2sccn12 12539964 CVSXDJARLHFPHS-UHFFFAOYSA-N 374.878 3.887 0 40 FHAB C[C@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)N[C@H]1CCCC[C@@H]1C 107444824 PONQUAMEYVTXBO-MKOZXLHESA-N 366.461 3.875 0 40 FHAB O=C(COC(=O)c1ccccc1O)Nc1cc(C(F)(F)F)ccc1Cl 3276132 ZHBBYCRWLPBIJX-UHFFFAOYSA-N 373.714 3.860 0 40 FHAB CC(C)CC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)C(C)C)CC2)cc1 26326793 HFXPOKKVAGYLLA-UHFFFAOYSA-N 373.497 3.504 0 40 FHAB O=C(Cc1noc2ccccc12)/N=c1\[nH]c2ccccc2n1C1CCCC1 76933772 TUUJQFBOGLOLHC-UHFFFAOYSA-N 360.417 3.896 0 40 FHAB CCN(CC)[C@H](CNC(=O)c1cc(-c2ccco2)on1)c1ccccc1 27087776 JDNJWZDCXFIPDY-QGZVFWFLSA-N 353.422 3.748 0 40 FHAB O=C(NOCc1ccccc1)c1ccccc1OCc1cn2ccccc2n1 12601403 RDBIYRVTWOWHGD-UHFFFAOYSA-N 373.412 3.775 0 40 FHAB CCc1ccc(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)cc1 27452879 YJJMESFYFHNUON-UHFFFAOYSA-N 352.434 3.503 0 40 FHAB O=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1cccc(Cl)c1 58219040 XVXUIPKBXDEJBM-UHFFFAOYSA-N 364.276 3.754 0 40 FHAB COc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)c(OC)c1 27976894 BYXOTNULJYSJGP-UHFFFAOYSA-N 351.406 3.759 0 40 FHAB CC(C)(C)OC(=O)NCC1CCN(C(=O)/C=C/c2ccsc2)CC1 58216151 FGUBXFILGNRGJO-SNAWJCMRSA-N 350.484 3.525 0 40 FHAB Cc1ccc(SCC(=O)N2CCN(c3ccccc3F)CC2)cc1C 3357842 NOJQWKMKGYPQNN-UHFFFAOYSA-N 358.482 3.883 0 40 FHAB Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C[C@@H](C)NC(=O)C2CCCC2)o1 173576947 GBNGKCPHADYFIR-DAYGRLMNSA-N 360.498 3.973 0 40 FHAB O=C(c1cc(Cl)c2nc3ccsc3c(=O)n2c1)c1cc(F)ccc1O 3383082 IKRDVPXTHPYVFK-UHFFFAOYSA-N 374.780 3.638 0 40 FHAB C[C@H]1CC(=O)c2c(OCC(=O)N(C)Cc3ccc(F)cc3)ccc(F)c21 12744328 HVHSHJGKGHZWGO-LBPRGKRZSA-N 359.372 3.692 0 40 FHAB CC(=O)Nc1ccc(Nc2cc(C)nc3c4c(C)cc(C)nc4nn23)cc1 2227778 ODEXSECGOLUPFZ-UHFFFAOYSA-N 360.421 3.905 0 40 FHAB c1csc(CN2CC[C@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)c1 306133397 MKGSYRVBGPWLLM-SFHVURJKSA-N 357.504 3.848 0 40 FHAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccccc1Br 10762128 YNVKSDDARVGSOZ-UHFFFAOYSA-N 373.250 3.728 0 40 FHAB Clc1ccc(-n2ncc3c2ncn2c(CCc4ccccc4)nnc32)cc1 2365855 SUGZITOARSQAOD-UHFFFAOYSA-N 374.835 3.902 0 40 FHAB C[C@@H](NC(=O)c1cc(=O)[nH]c2ccccc12)c1ccc(Br)cc1 12776766 LJBKLXXQZITDKG-LLVKDONJSA-N 371.234 3.782 0 40 FHAB Cc1ccc(CCC2CCN(C(=O)CNC(=O)c3ccccc3)CC2)cc1 10962131 QLYQKAWKKAZIID-UHFFFAOYSA-N 364.489 3.596 0 40 FHAB COc1ccc(-c2nn3c(-c4ccccc4C)nnc3s2)cc1OC 2448017 UOIUNDQTWMPEOL-UHFFFAOYSA-N 352.419 3.845 0 40 FHAB CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@H]1c1ccc(C)cc1 2487162 ATDBHRVEDAQHAD-ZBFHGGJFSA-N 358.463 3.597 0 40 FHAB COc1ccc(CNC(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1 12878841 JUUDQNSYSUVJNP-UHFFFAOYSA-N 370.430 3.840 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cccc(F)c1 3405225 XMHLIAJILUCTOY-UHFFFAOYSA-N 351.761 3.592 0 40 FHAB CCCn1nc(C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2c1=O 3615769 GYWMQSHWPQWWSY-UHFFFAOYSA-N 371.824 3.721 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(Br)cc2)c1C 8718538 QEJBHPOSEASBLK-UHFFFAOYSA-N 363.255 3.869 0 40 FHAB Cc1ccc(/C(O)=C(/C(=S)NCc2ccco2)[n+]2ccccc2)cc1 13468762 WGWSMHYZCOSDNR-UHFFFAOYSA-O 351.451 3.877 0 40 FHAB Cc1ccc(C)n1CCN1CCN(C(=O)Nc2cccc(Cl)c2)CC1 13692151 NFJVCLRHQLASOH-UHFFFAOYSA-N 360.889 3.608 0 40 FHAB O=C(Nc1ccccc1)c1ccccc1NS(=O)(=O)c1ccccc1 5184548 VIPPAPRFFRJXFD-UHFFFAOYSA-N 352.415 3.740 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)CCC(=O)c1ccc(C)cc1)CC2 5347522 NVKCHGCHNGARFV-UHFFFAOYSA-N 367.445 3.560 0 40 FHAB biogenic CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)c1C 5324256 HBGOCECRXNTXGG-UHFFFAOYSA-N 373.409 3.998 0 40 FHAB O=C(COC(=O)/C=C/c1cccc(C(F)(F)F)c1)NCc1cccs1 6421026 RCKKMPOAZUZMDU-VOTSOKGWSA-N 369.364 3.640 0 40 FHAB COc1ccc(-c2noc(CCC(=O)Nc3cc(F)ccc3C)n2)cc1 14138757 XQQNEHGIFNZZEZ-UHFFFAOYSA-N 355.369 3.764 0 40 FHAB Cc1c(O)ccc2c(CSc3nnc(-c4cccnc4)o3)cc(=O)oc12 14120786 RDASUNNMQODFPA-UHFFFAOYSA-N 367.386 3.544 0 40 FHAB CCc1ccc(NC(=O)Cn2nc(-c3ccc(C)c(C)c3)ccc2=O)cc1 5401560 KRPQASGWGJVGPG-UHFFFAOYSA-N 361.445 3.728 0 40 FHAB CCC[C@H]1CCc2c(sc(NC(=O)COc3ccccc3)c2C(N)=O)C1 5469896 BXYMLCWUTDOTAJ-ZDUSSCGKSA-N 372.490 3.770 0 40 FHAB CCc1cccc(C)c1-n1nnnc1C(C)(C)Nc1ccc(OC)cc1 4645885 BZCGZSAQYKGRBV-UHFFFAOYSA-N 351.454 3.889 0 40 FHAB O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1cc[nH]n1 66051821 KZSJANOZFQPPMV-UHFFFAOYSA-N 361.380 3.583 0 40 FHAB Cc1ccc(Cl)cc1-n1nnc(C(=O)Nc2ccc([C@H](C)O)cc2)c1C 19814248 GMFLIUGCGMNFFY-ZDUSSCGKSA-N 370.840 3.843 0 40 FHAB Cc1csc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3C)n2C)n1 4816301 BYQWZQZRJRHBFC-GFCCVEGCSA-N 373.507 3.675 0 40 FHAB COCCn1c(SCc2ccc(F)cc2F)nc2ccccc2c1=O 67258492 BKGHAEJJHYJLNC-UHFFFAOYSA-N 362.401 3.613 0 40 FHAB CC[C@@H](C)NC(=O)[C@H](C)N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 80027608 OOGJIGNGPCFJTA-CABCVRRESA-N 355.482 3.569 0 40 FHAB CCCOc1c(Cl)cc(CN2CCN(C(C)=O)CC2(C)C)cc1OC 96003632 GAACBVAMBFAVPE-UHFFFAOYSA-N 368.905 3.580 0 40 FHAB COc1cc(-c2ccccc2)sc1C(=O)Nc1cn(C)c(=O)cc1C 80380994 RUKOKZIQBFPYLE-UHFFFAOYSA-N 354.431 3.683 0 40 FHAB CNc1nc(S[C@H](C(=O)NC2CC2)c2ccccc2)nc2ccccc12 26561337 DQHXSAGAEJUIJK-KRWDZBQOSA-N 364.474 3.784 0 40 FHAB Cc1cc(Br)ccc1NC(=O)CN(C)Cc1ccsc1 7927113 NVWIPJOPHGYVEW-UHFFFAOYSA-N 353.285 3.890 0 40 FHAB CCC[C@@H](C)C(=O)Nc1cc(OCC)c(N2CCOCC2)cc1OCC 7952309 BHCOEDIJVXDXLM-OAHLLOKOSA-N 364.486 3.695 0 40 FHAB NC(=O)c1ccc(COC(=O)c2csc(-c3cccc(Cl)c3)n2)cc1 16564811 YNBAMODGNJKTPD-UHFFFAOYSA-N 372.833 3.919 0 40 FHAB O=C(Nc1ccc(F)cc1)[C@@H](Sc1nnnn1C1CC1)c1ccccc1 8230980 FCVWPSYRFSPDIS-INIZCTEOSA-N 369.425 3.619 0 40 FHAB CC(C)n1ncc2c(C(=O)NCC(F)(F)F)cc(-c3ccccc3)nc21 69374063 BEKHHXGLFLNOKZ-UHFFFAOYSA-N 362.355 3.971 0 40 FHAB COc1ccc(-c2noc(COC(=O)Cc3c[nH]c4ccccc34)n2)cc1 8449523 MABNQMQEMKJEKM-UHFFFAOYSA-N 363.373 3.512 0 40 FHAB CC(C)(C)c1cc(NC(=O)COC(=O)c2cc(F)c(F)cc2Cl)on1 9642684 QSKRGUGHPBLAMG-UHFFFAOYSA-N 372.755 3.699 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)N1CCC(CN2CCN(C)CC2)CC1 96999311 SILGUNJCQAJJRW-UHFFFAOYSA-N 372.557 3.610 0 40 FHAB Cn1cc(-c2nc(C[S@@](=O)Cc3ccc(Cl)s3)cs2)cn1 84318848 XNKSSKXFEXLCDY-NRFANRHFSA-N 357.913 3.707 0 40 FHAB Cc1cc(C)cc(Oc2ccc(NC(=O)[C@H](C)N3C(=O)CCC3=O)cc2)c1 95364909 NZYDYVZQGSLZPT-HNNXBMFYSA-N 366.417 3.572 0 40 FHAB Cc1ccc(NC(=O)CNc2ccccc2[C@H](O)C(F)(F)F)c(C)c1 95464727 ZAHMNHKBTRBLGX-KRWDZBQOSA-N 352.356 3.950 0 40 FHAB CNC(=O)c1ccc(NC(=O)NCc2ccc(Cl)cc2)c(Cl)c1 89391788 BCVSOUMOCKBKDM-UHFFFAOYSA-N 352.221 3.675 0 40 FHAB COc1cc(CC2CN(C(=O)C(C)(C)c3ccc(F)cc3)C2)cc(OC)c1 75094529 LVSQNMLVKOSQGT-UHFFFAOYSA-N 371.452 3.822 0 40 FHAB Cc1ccc(S(=O)(=O)n2ccc3c2C(=O)[C@H](C)[C@@H]3c2ccccc2)cc1 26897223 NECHEGOFASDHLR-DNVCBOLYSA-N 365.454 3.998 0 40 FHAB CCCCC(=O)NC(=S)Nc1ccc(NC(=O)CCCC)c(OC)c1 32115140 KGUFIGSRMOSSFB-UHFFFAOYSA-N 365.499 3.827 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1C 408607762 OFEOMJIUKLDCEC-UHFFFAOYSA-N 352.843 3.716 0 40 FHAB CCOc1ccccc1N1C[C@@H](C(=O)Oc2cccc(C)c2C)CC1=O 408670541 SODCKWYRVDHGGL-INIZCTEOSA-N 353.418 3.661 0 40 FHAB CCOCc1ccc(CNC(=O)Cc2c(C)nn(CC(C)C)c2C)cc1 36747864 QKJNFNQSGKQCRJ-UHFFFAOYSA-N 357.498 3.551 0 40 FHAB Cc1cccc(NC(=O)CSCc2cc(=O)c3cc(F)ccc3[nH]2)c1 33063858 ZWFNWYYQUODKDE-UHFFFAOYSA-N 356.422 3.848 0 40 FHAB Cc1cc(C(=O)OCc2cc(-c3ccc4c(c3)OCCO4)on2)c(C)o1 36662518 MUGSTXNPNGQJOS-UHFFFAOYSA-N 355.346 3.680 0 40 FHAB Cc1nc(-c2ccsc2)sc1C(=O)O[C@@H](C(N)=O)c1ccccc1 32882767 URGUHSMVAUJGHR-CYBMUJFWSA-N 358.444 3.563 0 40 FHAB COc1ccc(CN2CCC(c3cccc(-n4ccnc4C)n3)CC2)cc1 72379125 GVEXNYLSSIRXTH-UHFFFAOYSA-N 362.477 3.964 0 40 FHAB CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1c(C2CC2)[nH]c2ncccc12 72395508 YYSFNWAOLHCKLF-WOJBJXKFSA-N 374.488 3.544 0 40 FHAB CCOC(=O)N1CCN(C(=O)CCCSc2ccc(Cl)cc2)CC1 222682886 XYRZWARUDDBEAU-UHFFFAOYSA-N 370.902 3.513 0 40 FHAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 225185925 MIBUXURGGNMEHS-QGZVFWFLSA-N 353.462 3.836 0 40 FHAB O[C@H](COc1ccccc1)Cn1c([C@@H](O)c2ccccc2)nc2ccccc21 82086768 ZRDFPSVZSFPBFL-AVRDEDQJSA-N 374.440 3.558 0 40 FHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 44948793 IYWBKGPAGBCXPZ-GOSISDBHSA-N 370.468 3.867 0 40 FHAB CCc1nnc(NC(=O)CCSc2ccccc2Br)s1 40128750 IHEBBTPFCJBZAS-UHFFFAOYSA-N 372.313 3.984 0 40 FHAB COC[C@H](C)Oc1ccc(NC(=O)C(C)(C)Br)cc1Cl 225595868 DSNSAXWDSAAKNW-VIFPVBQESA-N 364.667 3.866 0 40 FHAB CC1(C)CCCc2sc(NC(=O)N3CCC[C@]3(C)CCCO)nc21 574561685 RXTPYYIHOCLVAV-GOSISDBHSA-N 351.516 3.916 0 40 FHAB Cc1ccccc1CN1CCC2(CC1)C[C@H](OCC1CCOCC1)CO2 96106696 RQSUKJOCFFNXEA-NRFANRHFSA-N 359.510 3.562 0 40 FHAB Cn1c2ccccc2c2c1cc(C(=O)N1CCCCC1)n2-c1ncccn1 96146333 WUSCZRRUOOGPRV-UHFFFAOYSA-N 359.433 3.538 0 40 FHAB CSc1ncccc1C(=O)N1CC[C@H](c2noc(-c3cccs3)n2)C1 253473152 RTURBDQHKNKCHU-NSHDSACASA-N 372.475 3.545 0 40 FHAB CCOC1CC2(CCN(C(=O)c3ccn(-c4ccccc4Cl)n3)C2)C1 585082185 XNKANSBAKNGKDU-UHFFFAOYSA-N 359.857 3.557 0 40 FHAB CCc1noc([C@H]2CC[C@H](NC(=O)N3CCc4c(Cl)cccc43)C2)n1 1685475460 UUNJFICGERJSFU-RYUDHWBXSA-N 360.845 3.694 0 40 FHAB CNc1nc(C)cc(-c2nc(-c3cccc(CN4CCCCC4)c3)no2)n1 669408958 LWCYUHQIWMSMRM-UHFFFAOYSA-N 364.453 3.530 0 40 FHAB CN(Cc1cc(Br)cs1)Cc1cc2c(s1)CCNC2 688005654 GJFLDHSHCSFUFE-UHFFFAOYSA-N 357.342 3.850 0 40 FHAB CO[C@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1C 96105084 BMZDELXWNABKHR-OAHLLOKOSA-N 374.289 3.968 0 40 FHAB C[C@@H](c1cccs1)N(C)C(=O)c1[nH]nc(C2CC2)c1Br 49158850 LYOSZOMBFWUYTD-QMMMGPOBSA-N 354.273 3.944 0 40 FHAB O=C(Oc1ccc(I)cc1)c1cc(F)cc(F)c1 95932816 CBKQGFTZMMVJDC-UHFFFAOYSA-N 360.097 3.789 0 40 FHAB CCc1noc(C)c1C(=O)N1CCC[C@H](OC)[C@@H]1Cc1cccc(F)c1 1615144652 GVDJXIAYDWXHJJ-ROUUACIJSA-N 360.429 3.547 0 40 FHAB O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(Cl)cc1Cl 5245190 QDIVLKTWFJANSW-UHFFFAOYSA-N 362.216 3.732 0 40 FHAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)C(C)(C)C)C3)cc2n1 12276543 WELBVRNEYVHWJC-LLVKDONJSA-N 368.403 3.673 0 40 FHAB Cc1nc(COc2ccccc2C(=O)N[C@@H](C)c2ccc(F)c(F)c2)no1 12767006 WJVDKLMBAAMADI-NSHDSACASA-N 373.359 3.726 0 40 FHAB CCCCOc1c(Cl)cc(C(=O)NC2=NCCS2)cc1OCC 12932537 JQXPWRKTWCFEOW-UHFFFAOYSA-N 356.875 3.750 0 40 FHAB CCNC(=S)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 13555074 MNSAXSVUZUGIOH-UHFFFAOYSA-N 357.523 3.784 0 40 FHAB O=C(Oc1cc(-c2ccccc2)nn1-c1nc2ccccc2[nH]1)C(F)(F)F 13611103 FWMFXLJPNOQBAR-UHFFFAOYSA-N 372.306 3.883 0 40 FHAB Cc1nn(Cc2cccc(F)c2)c(C)c1NS(=O)(=O)c1cccs1 14231677 UDMSYTIUUPMAQS-UHFFFAOYSA-N 365.455 3.550 0 40 FHAB Cc1cccc(NC(=O)CCc2c(C)[nH]n(-c3ccc(F)cc3)c2=O)c1C 16202914 XRUVCGWSVDNAOE-UHFFFAOYSA-N 367.424 3.801 0 40 FHAB O=C(CCCc1ccncc1)N1CC[C@H](c2nnc(-c3cccs3)o2)C1 19344859 CIFBBOPHLAPJML-HNNXBMFYSA-N 368.462 3.532 0 40 FHAB OCC[C@H]1CN2CCC[C@H]2CN1Cc1cccc(Oc2ccccc2)c1 19373576 WLUGVQIVOLACTM-PMACEKPBSA-N 352.478 3.510 0 40 FHAB Cc1c(-c2cccc(Cl)c2)nn2c(O)cc([C@H](C)n3ccnc3)nc12 19557369 JUEHAKHKNQMDOH-LBPRGKRZSA-N 353.813 3.870 0 40 FHAB Cc1cccn2cc(C(=O)Nc3ccc4nc(C(F)(F)F)[nH]c4c3)nc12 19718788 OLNYUHQVOCOOFJ-UHFFFAOYSA-N 359.311 3.790 0 40 FHAB O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(N2CCCC2)cc1 7386671 UVYWYQOWYRZZJA-VYJRXQMOSA-N 364.405 3.624 0 40 FHAB NC(=O)c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 226339866 JBKJLLUZQDISPD-UHFFFAOYSA-N 358.594 3.920 0 40 FHAB C[C@@H]1CCCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)C1 882345 NCXZLEQBJFOJPS-LLVKDONJSA-N 351.859 3.741 0 40 FHAB O=C(Nc1ncccc1O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 30516275 CZGAEZQDFRUBHS-SFHVURJKSA-N 358.401 3.733 0 40 FHAB C[C@@H](Oc1cccc(F)c1)C(=O)N[C@H](C)c1ccc2c(c1)OCCCO2 32283907 ZRVKIKIRTCJJNR-ZIAGYGMSSA-N 359.397 3.632 0 40 FHAB CCCSc1ncc(C(=O)OC)c(=O)n1-c1ccc(C(F)(F)F)cc1 2087106515 OTRVVZULFYHYQH-UHFFFAOYSA-N 372.368 3.540 0 40 FHAB COc1ccc(C)cc1NC(=O)CSc1ccc(-c2ccncc2)nn1 4358232 WAEUAPHECAWJME-UHFFFAOYSA-N 366.446 3.586 0 40 FHAB O=C(CSc1nnc2ccc(-c3ccc(F)cc3)nn12)c1ccccc1 5168053 WSLSACODTKREEB-UHFFFAOYSA-N 364.405 3.905 0 40 FHAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCO[C@@H](c2ccccc2)C1 12441579 KXWSQPKZXVTZPD-OAHLLOKOSA-N 372.273 3.756 0 40 FHAB CCC(=O)N1CCCc2ccc(NC(=O)c3ccc(OC)cc3OC)cc21 17247826 CYTGVTJCNNLPPG-UHFFFAOYSA-N 368.433 3.645 0 40 FHAB C[C@H](Sc1nnc(-c2cccs2)o1)c1nnnn1-c1ccccc1 40089654 FLUGGLPMNIPXKO-JTQLQIEISA-N 356.436 3.627 0 40 FHAB COc1ccc([C@H](NC(=O)Cc2c(C)nn(CC(C)C)c2C)C2CC2)cc1 40017432 SSABIWDGCHCYEI-JOCHJYFZSA-N 369.509 3.975 0 40 FHAB O=C(CCCCCn1sc2ccccc2c1=O)Nc1ccccc1O 40284841 VLZBYFXVXLXGTL-UHFFFAOYSA-N 356.447 3.968 0 40 FHAB O=C(CCOc1ccc(Cl)cc1)NC1CCN(Cc2ccccc2)CC1 46571634 RYKNREVUCWPIDV-UHFFFAOYSA-N 372.896 3.890 0 40 FHAB O=C(C[C@H]1Nc2ccccc2NC1=O)Nc1cc(Cl)ccc1Cl 849878 AGQNHLJHKMRIAE-CQSZACIVSA-N 350.205 3.755 0 40 FHAB COc1ccc(NC(=O)COc2cccc3c2CCC[C@H]3O)cc1Cl 32691473 RIBWNTYVQOOJDA-MRXNPFEDSA-N 361.825 3.736 0 40 FHAB COc1ccccc1NC(=O)c1cc2ccccc2cc1OP(=O)(O)O 2584381 OQFPBLDHWBQYNM-UHFFFAOYSA-N 373.301 3.572 0 40 FHAB O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H](Cc1ccccc1)n1cnnn1 32768070 RWTZVIYVVBOKFR-OAQYLSRUSA-N 369.428 3.763 0 40 FHAB COc1ccc(CCNC(=O)N(C)Cc2ccc(C)cc2C)cc1OC 32843778 SCBNFKPGWNRFPY-UHFFFAOYSA-N 356.466 3.705 0 40 FHAB Cc1ccc(-c2csc3nc(-c4ccc(C)n(C)c4=O)[nH]c(=O)c23)s1 102540444 VTCCFCOXCZJRPD-UHFFFAOYSA-N 369.471 3.696 0 40 FHAB CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc3c(c2)OCO3)c1 6319485 NQJOEPUIXVTRQV-NSHDSACASA-N 372.446 3.761 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(NCc2ccco2)s1 7161778 IKPGZSYRDJFKDX-DGCLKSJQSA-N 366.512 3.530 0 40 FHAB Cc1ccc2c(COC(=O)COc3cccc(Cl)c3)cc(=O)oc2c1 7778199 APFWRHIVCSXBIN-UHFFFAOYSA-N 358.777 3.877 0 40 FHAB O=C(NC1CC1)[C@H](Oc1c(F)c(F)cc(F)c1F)c1ccc(F)cc1 12255134 IUMHHDFBHKDNJF-OAHLLOKOSA-N 357.278 3.781 0 40 FHAB O=C(c1ccco1)N1N=C(c2ccc3c(c2)OCO3)C[C@@H]1c1ccco1 12378255 RKTVFHLWEFJYLA-CQSZACIVSA-N 350.330 3.593 0 40 FHAB C[C@H](NC(=O)c1cc(-c2ccccc2Cl)on1)c1nnc2ccccn12 47443752 GUAASEDPYHYEGW-NSHDSACASA-N 367.796 3.529 0 40 FHAB CC(C)NC(=O)Nc1ccccc1NC(=O)c1cc2ccccc2oc1=O 47401818 MXSXWPPHBYBMEM-UHFFFAOYSA-N 365.389 3.575 0 40 FHAB O=C(/C=C/c1ccc(F)cc1)NCCc1cc(Cl)c2c(c1)OCCO2 22023698 OWNVUWHGAWVIOM-ZZXKWVIFSA-N 361.800 3.622 0 40 FHAB CCc1ccccc1NC(=S)N1[C@@H]2CCC[C@@H]1CC(NC(=O)C1CC1)C2 100426919 QNTXXIYBZLAJEF-QZTJIDSGSA-N 371.550 3.858 0 40 FHAB C[C@@H]1[C@@H](NC(=O)CSc2nnc(-c3ccccc3F)o2)CCC[C@H]1C 103320415 VYDRLXBWFUHEKR-XUJVJEKNSA-N 363.458 3.909 0 40 FHAB Cc1ccc(OCCNC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 9062582 CKOBQOPDXSFILB-UHFFFAOYSA-N 366.505 3.711 0 40 FHAB CC(=O)Nc1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 9063604 VYLWOWGXEQBHOI-UHFFFAOYSA-N 369.440 3.635 0 40 FHAB CC(=O)NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(C)c1 9064314 HAEWGQVOPUJSFJ-UHFFFAOYSA-N 352.415 3.601 0 40 FHAB CCOCc1ccc(CNC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)cc1 24745516 CCIKEAAFLDSDPT-MGPUTAFESA-N 366.461 3.748 0 40 FHAB O=C(CCc1ccc(F)cc1)NCCCC(=O)Nc1ccc(Cl)cc1 58006856 ZGTCVSLRLKNAER-UHFFFAOYSA-N 362.832 3.947 0 40 FHAB O=C(NCCCN1CCCCC1)c1ccccc1C(=O)c1ccc(F)cc1 24768853 TXWDDLHHGIYVEZ-UHFFFAOYSA-N 368.452 3.663 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)CSCc1nc(-c2ccccc2)no1 24843751 FSIDRSOINFPMJX-AWEZNQCLSA-N 365.458 3.948 0 40 FHAB O=C(CSc1nnc(NCc2ccccc2)s1)N1CCCCCC1 3286330 WUTQVHCOHDDQCF-UHFFFAOYSA-N 362.524 3.645 0 40 FHAB O=C(COC(=O)Cc1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1 3231752 BTJXWGXMTWYOIV-UHFFFAOYSA-N 356.180 3.857 0 40 FHAB Cc1c(Cl)cc2c(oc(=S)n2[C@H]2CC(=O)[C@H]3OC[C@@H]2O3)c1Cl 20295416 RBPUDUPCQGACEW-TXMMPKFLSA-N 360.218 3.834 0 40 FHAB Cc1cc(NC(=O)[C@H](C)N[C@@H]2CCSc3ccc(Cl)cc32)no1 25217020 VTOZEWGSHHXBTO-GXFFZTMASA-N 351.859 3.790 0 40 FHAB O=C(OCCc1c[nH]nc1C(F)(F)F)c1csc(-c2ccco2)n1 56230982 WARXPKOFAHAGFB-UHFFFAOYSA-N 357.313 3.545 0 40 FHAB COC(=O)N(C)c1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1 56449313 VBUIVFUTJOWAGR-UHFFFAOYSA-N 354.193 3.843 0 40 FHAB C[C@H]1C[C@H]1c1ccc(CN(C)Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)o1 12693412 PKAGFHIPFKICOO-SMDDNHRTSA-N 369.490 3.822 0 40 FHAB COc1ccc(NC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cn1 48230738 XUWQGVAEOVSKNH-MRXNPFEDSA-N 374.510 3.746 0 40 FHAB COC(=O)[C@H]1CCCN1c1nc(C2CC2)nc2sc3c(c12)CCCC3 97104023 VCGDFKXALWGZMW-CYBMUJFWSA-N 357.479 3.589 0 40 FHAB O=C(CCC(=O)c1ccccc1)NC[C@@H]1CCCN(Cc2cccs2)C1 58197198 ZEGUEDUTVQLISN-KRWDZBQOSA-N 370.518 3.739 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1 24218468 VEMXFXUTENKOCP-UONOGXRCSA-N 358.413 3.760 0 40 FHAB COc1cccc(-c2nn3c(CCc4ccccc4)nnc3s2)c1OC 10311877 SGLDAQDSBNMEOV-UHFFFAOYSA-N 366.446 3.655 0 40 FHAB CCCN(CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)CC(F)F 58316649 RVARNHZNRAIUJI-UHFFFAOYSA-N 357.401 3.865 0 40 FHAB CC(C)c1ccc(S(=O)(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1 10670204 XWBSUIURDJTSJF-UHFFFAOYSA-N 372.490 3.637 0 40 FHAB O=C(NCc1ccc(OC(F)F)cc1)c1cc(Br)ccc1O 11511017 VOTJOBUCBFHJFB-UHFFFAOYSA-N 372.165 3.686 0 40 FHAB C[C@@H](c1ccccc1)N(C)C(=O)Cn1c(S)nnc1-c1cccs1 12852674 UKNHMJODLACHON-LBPRGKRZSA-N 358.492 3.515 0 40 FHAB CSc1ccc(Cl)c(C(=O)NCCc2ccc3c(c2)OCCO3)c1 3403594 XSAZSZYCPHZSNM-UHFFFAOYSA-N 363.866 3.806 0 40 FHAB CS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2F)ccc1Cl 13002417 DJDQCEGVYCWWTA-UHFFFAOYSA-N 362.209 3.788 0 40 FHAB COc1ccc2c(c1)[C@@]1(Nc3ccccc3-c3nc4ccccc4n31)C(=O)N2 13127197 OKNYPLINMPVUFV-QFIPXVFZSA-N 368.396 3.791 0 40 FHAB CCc1cccc2c(C(=O)CN3C(=O)NC4(CCCCCC4)C3=O)c[nH]c12 4287910 BSZJFHFPGCUMBK-UHFFFAOYSA-N 367.449 3.558 0 40 FHAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCCn1ccnc1 13730564 YROZRBDBIMGBSB-UHFFFAOYSA-N 360.870 3.789 0 40 FHAB O=c1c2c3c(sc2ncn1Cc1cc(Cl)cc2c1OCOC2)CCC3 5224538 SZQTUMOUDIIJMV-UHFFFAOYSA-N 374.849 3.515 0 40 FHAB O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)c1c[nH]c2ccccc12 14094180 YAYNVNFWVBLDJH-NSHDSACASA-N 374.491 3.585 0 40 FHAB CC[S@](=O)c1ccccc1C(=O)O[C@H](C)C(=O)c1c[nH]c2ccccc12 14199133 BJZCIBVWSJZSRP-ZBSNKRKSSA-N 369.442 3.724 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nc1ccccc1Cl 14254596 XWYWFVCNCBLEID-UHFFFAOYSA-N 361.854 3.943 0 40 FHAB CCOc1ccc(-n2cnc3c(c(C)c(C)n3-c3cccnc3)c2=N)cc1 6662347 GUVPCMGCSQTCIN-UHFFFAOYSA-N 359.433 3.706 0 40 FHAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(C)o2)n2ncnc2N1 4739356 ADLKTUIWIVCTHU-MRXNPFEDSA-N 369.812 3.761 0 40 FHAB Cc1cccc(OCCC(=O)Nc2nnc(Cc3ccccc3)s2)c1 6790235 DXGQXCPZAIENLG-UHFFFAOYSA-N 353.447 3.845 0 40 FHAB C[C@@H]1CCCC[C@H]1N1C(=O)C(=O)N(Cc2c(Cl)cccc2Cl)C1=O 5788064 GSMDBLYNIBVAOO-QMTHXVAHSA-N 369.248 3.863 0 40 FHAB c1cncc(-c2nc(N3CCC[C@H](N4CCCC4)C3)c3ccccc3n2)c1 76836015 UHDSYTTUXHBVHF-SFHVURJKSA-N 359.477 3.756 0 40 FHAB CCCSc1ncc(Cl)c(C(=O)Nc2nnc(CCC)s2)n1 6810529 BEFUVRYBVYLSED-UHFFFAOYSA-N 357.892 3.688 0 40 FHAB Cc1ccccc1N1C[C@H](C(=O)Nc2cccc(Br)c2)CC1=O 4975536 IBNUZVXAEUTQJX-CYBMUJFWSA-N 373.250 3.749 0 40 FHAB CCCOC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCC2 5952053 MYHQKKOYIYTSGC-UHFFFAOYSA-N 367.467 3.777 0 40 FHAB C[C@@H]1Sc2ccc(C(=O)OCc3cc(-c4ccco4)on3)cc2NC1=O 18492236 LJUKLFHDWYBFHN-JTQLQIEISA-N 370.386 3.724 0 40 FHAB COc1ccc(C(=O)CSc2nnc(NCC(C)C)s2)cc1OC 7249849 OIOAZTFRTUCRAP-UHFFFAOYSA-N 367.496 3.598 0 40 FHAB O=C(Cn1ncc(=O)c2ccccc21)Nc1ccccc1Oc1ccccc1 7245294 LFGMMXZMRKMWGM-UHFFFAOYSA-N 371.396 3.828 0 40 FHAB CC(=O)N(C)Cc1nc2ccccc2n1CCOc1ccc(Cl)cc1 7425386 RHYTZSQZLWZDMB-UHFFFAOYSA-N 357.841 3.747 0 40 FHAB Cc1[nH]c2ccc(C(=O)OCC(=O)N(C)Cc3ccsc3)cc2c1C 19054342 DZSWMRHUASREIP-UHFFFAOYSA-N 356.447 3.662 0 40 FHAB CN(CC(=O)Nc1ccccc1Br)Cc1cccc(F)c1 7843373 AOUOQRCYMVLYND-UHFFFAOYSA-N 351.219 3.659 0 40 FHAB COc1ccc2c(C)c(CCC(=O)N3CCc4ccccc43)c(=O)oc2c1 16469609 RPRGKMABAGTRJQ-UHFFFAOYSA-N 363.413 3.632 0 40 FHAB C[C@H]1CCc2sc(-c3nnc(SC[C@@H]4CCOCO4)o3)cc2C1 8071335 NYBGYQQPRSAAPU-JQWIXIFHSA-N 352.481 3.778 0 40 FHAB Cc1ccc(CCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 78579399 PZKGWLXFPPVATM-UHFFFAOYSA-N 355.825 3.947 0 40 FHAB CCCNC(=O)c1cccc(C(=O)O[C@@H](C)c2nc3ccccc3n2C)c1 72310764 GNUGTBHYKKXKLO-AWEZNQCLSA-N 365.433 3.631 0 40 FHAB COc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1Br 409012220 JWEFRDZGSRAFIT-GXDHUFHOSA-N 373.206 3.555 0 40 FHAB O=c1cc(CSc2ncnc3c2oc2ccccc23)nc2ccccn12 9337749 HIZQDKZEDSTRQH-UHFFFAOYSA-N 360.398 3.676 0 40 FHAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl 71822635 DSAFCKIMONQDDH-DIFFPNOSSA-N 366.244 3.881 0 40 FHAB CCN(CC)C(=O)CN(C)c1nc(C)nc2sc(-c3ccccc3)cc12 9690849 GFPVMXDADWCSFF-UHFFFAOYSA-N 368.506 3.971 0 40 FHAB Cc1ccc(CCCC(=O)N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)s1 95451215 UZTPGSGFOOOFQC-KDOFPFPSSA-N 365.445 3.992 0 40 FHAB COC(=O)CCCCCCCNC(=O)Cc1csc(-c2ccco2)n1 79107073 PCUBHLJBFXDHMU-UHFFFAOYSA-N 364.467 3.575 0 40 FHAB O=C(NCCCCc1ccccc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408706969 GAHKILLXKAWTRI-QGZVFWFLSA-N 370.880 3.832 0 40 FHAB Cc1ccccc1[C@H](CO)NC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 536500225 ZYYNTTCDDJNZFX-KURKYZTESA-N 363.379 3.967 0 40 FHAB CC(C)OCCCNC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 188962845 JODOVHFWZJTGTB-UHFFFAOYSA-N 370.896 3.622 0 40 FHAB COc1ccc(-c2noc([C@H]3CCN(Cc4ccccc4F)C3)n2)cc1 72369914 WIGOQMNBEVAORZ-INIZCTEOSA-N 353.397 3.874 0 40 FHAB O=C(O)COc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 225533675 RIRJCLGBYKHHCG-UHFFFAOYSA-N 353.418 3.991 0 40 FHAB COc1ccc(-c2nnsc2C(=O)N[C@H](C)c2ccc(F)cc2)cc1 225764048 GAFPRUZICVETHO-LLVKDONJSA-N 357.410 3.844 0 40 FHAB CCc1ccc(NC(=O)CCc2nc(-c3cccc(OC)c3)no2)cc1 41185356 LHGATCPGSJFZMX-UHFFFAOYSA-N 351.406 3.879 0 40 FHAB COC(=O)c1ccc(Cn2c(C)cc(=O)c3ccc(C(F)(F)F)cc32)o1 40164063 RTHUOHXCCNFHLV-UHFFFAOYSA-N 365.307 3.757 0 40 FHAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225052438 LHBJPBDWCJBVNW-JTQLQIEISA-N 362.838 3.659 0 40 FHAB O=C([C@H]1COc2ccccc2O1)N(CCc1cccs1)Cc1ccco1 77183914 ASWQZUVXNDCESP-LJQANCHMSA-N 369.442 3.752 0 40 FHAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN(C)C)cc1 225689054 UMHFYTCIOBEAMF-FQEVSTJZSA-N 350.503 3.797 0 40 FHAB Cc1cc(C)cc(OCCNC(=O)COc2ccc3c(c2)CCCC3)c1 224109108 ZWCAKMIUBXDUGQ-UHFFFAOYSA-N 353.462 3.756 0 40 FHAB COc1cccc(COc2ccc(-c3csc(N)n3)cc2C(=O)O)c1 85397527 DWRWURUDYFSDPE-UHFFFAOYSA-N 356.403 3.678 0 40 FHAB CCOc1ccc(NC(=S)N[C@@H](C)COc2ccccc2OC)cc1 225785720 FZYBBSBYRHKAFL-AWEZNQCLSA-N 360.479 3.848 0 40 FHAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 225372577 TWEXFRMRXBMJBT-WMLDXEAASA-N 373.449 3.747 0 40 FHAB CCCC[C@H](CC)CNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 224406175 QEBZXWSAMOTKFV-LBPRGKRZSA-N 360.907 3.658 0 40 FHAB S=C(Nc1ccc2c(c1)OCCO2)NC1(c2cccnc2)CCCC1 225857832 TZSCPDPKBJLJMY-UHFFFAOYSA-N 355.463 3.609 0 40 FHAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccccc1 225073756 ILOHTHGBEBMJDI-OAQYLSRUSA-N 366.505 3.953 0 40 FHAB O=C(NCc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 244407527 YNZKDJUKLSOIIZ-UHFFFAOYSA-N 356.731 3.614 0 40 FHAB O=C(N[C@H]1CCCOc2cc(F)ccc21)c1cnn(Cc2ccccc2)c1 539680939 RWKRHJOHFHWPRH-IBGZPJMESA-N 365.408 3.714 0 40 FHAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OC)cc4O)OCC[C@@]31C2 257294959 QWKQTGURKUBGIX-NTQHEYMJSA-N 373.493 3.809 0 40 FHAB O=C(Cc1cccs1)N1CCC[C@@H]1c1cccc(CN2CCCC2)n1 257339205 ZARKQFDJUDKITJ-LJQANCHMSA-N 355.507 3.645 0 40 FHAB Cc1cc(Cl)c2c(c1)[C@@H](NC1CCN(c3ncccn3)CC1)CCCO2 585081508 NKMNALJSXFVXEU-SFHVURJKSA-N 372.900 3.911 0 40 FHAB COc1cccc(Cc2cnc([C@H]3CCCN3C(=O)c3ccncc3)o2)c1 257236309 HBOAKOIDNMORPY-LJQANCHMSA-N 363.417 3.646 0 40 FHAB O[C@@H](COc1ccc2cc[nH]c2c1)CN1CCC[C@@H](Cc2ccccc2)C1 1657201917 URUUEWNBVJISST-PZJWPPBQSA-N 364.489 3.862 0 40 FHAB COCCN1COc2ccc3c(=O)c(-c4ccccc4F)c(C)oc3c2C1 54333078 AEBPYXSSICJVDA-UHFFFAOYSA-N 369.392 3.706 0 40 FHAB biogenic COc1cc2c3c(c1)[C@](O)([C@@H]1CCCCCC1=O)C(=O)N3C(C)(C)C=C2C 1740816835 XGHJEPIWKNJMID-OPAMFIHVSA-N 369.461 3.574 0 40 FHAB Cc1cc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cnc1C 1303085899 MTMKQKWFJAZYHV-QGZVFWFLSA-N 355.438 3.903 0 40 FHAB Cc1c(C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)oc2c1ccc1ccccc12 554754861 OOUFQDYNAYAXTQ-ZWKOTPCHSA-N 362.429 3.778 0 40 FHAB CCc1ccc([C@H]2CCCN2C(=O)c2cc3cnn(CC)c3nc2C)o1 572924055 QDUYZXMVBNDFNS-QGZVFWFLSA-N 352.438 3.892 0 40 FHAB CC[C@H](C)[C@@H](C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1 60389229 BYPQWHKIVCXQEF-SCLBCKFNSA-N 350.418 3.681 0 40 FHAB O=C(NC1CCCCC1)[C@@H]1CCCN(CCCc2nc3ccccc3o2)C1 58411610 HSITYZIOQAOQTI-QGZVFWFLSA-N 369.509 3.921 0 40 FHAB Cc1c(NC(=O)c2ccc(Cl)cn2)cc(Br)cc1C(=O)O 1600046064 ARZOOFIVZWYUOT-UHFFFAOYSA-N 369.602 3.756 0 40 FHAB O=C(N[C@H]1C=Nc2ccc(Cl)cc2NC1=O)c1ccc2ccccc2c1 5722960 YSUMQBGUQMWOAA-SFHVURJKSA-N 363.804 3.946 0 40 FHAB CC(=O)N1Cc2cc(C)ccc2O[C@]2(CCCN(Cc3ccccc3)C2)C1 12087220 BGNWHPCHPXZNQU-QHCPKHFHSA-N 364.489 3.771 0 40 FHAB Cn1c(N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)nc2ccccc21 12116328 SBHBQZFTGGOGQO-UHFFFAOYSA-N 370.403 3.707 0 40 FHAB O=C(Nc1ccc(Oc2cccnc2)cc1)c1cc(-c2ccccn2)n[nH]1 12147288 FAVZEGPJMAMRRW-UHFFFAOYSA-N 357.373 3.911 0 40 FHAB CC1CCN(C(=S)NC(=O)C(c2ccccc2)c2ccccc2)CC1 12289681 DISWTXISKRWLMX-UHFFFAOYSA-N 352.503 3.952 0 40 FHAB COc1c(C)cccc1CN1CCC(NC(C)=O)(c2ccc(F)cc2)CC1 12293005 GSSGAYFDAPPJFG-UHFFFAOYSA-N 370.468 3.770 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CN(S(=O)(=O)c1ccc(C)c(C)c1)CC3 13735613 BELOCTGGATYIMR-UHFFFAOYSA-N 370.474 3.540 0 40 FHAB O=C(CSc1nccn2nc(-c3ccccc3)cc12)NC1CCCCC1 17191743 ZPHRODSHBYSUPJ-UHFFFAOYSA-N 366.490 3.937 0 40 FHAB CCC(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(F)c1 19694468 HIJBZMSZRUPWQF-KRWDZBQOSA-N 356.445 3.812 0 40 FHAB CCN[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)C(C)(C)C)CC2)C1 19712735 LFMJSVHOWRGVGL-OALUTQOASA-N 358.526 3.924 0 40 FHAB Cc1ncsc1CN1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 1889091922 VZGAKPYPLVNZFN-OCCSQVGLSA-N 368.428 3.576 0 40 FHAB Cc1c(C(=O)C(=O)N2CC=C(c3ccccc3)CC2)c2ccccc2n1C 4062678 AKQMQAJWGGKPCA-UHFFFAOYSA-N 358.441 3.985 0 40 FHAB Cc1ccc2sc(NC(=O)CCS(=O)(=O)c3ccccc3)nc2c1C 4325590 HWZYULXBKRMZRG-UHFFFAOYSA-N 374.487 3.716 0 40 FHAB CCN(C(=O)c1cccn(Cc2ccccc2F)c1=O)c1ccccc1 5270496 MUVCYRAUJGXZLE-UHFFFAOYSA-N 350.393 3.702 0 40 FHAB O=C(NCc1nccnc1-c1cccs1)NC12CC3CC(CC(C3)C1)C2 575619852 GQSRGFJKRTULHV-UHFFFAOYSA-N 368.506 3.973 0 40 FHAB O=C(CSCc1ccccc1)NC[C@@H](c1ccsc1)n1cccn1 575613012 FFGUGJRPGGYEBF-KRWDZBQOSA-N 357.504 3.584 0 40 FHAB O=C(c1ccc(Br)o1)N(Cc1cccs1)C1CCOCC1 207961480 OGSJEAUPTMEJHH-UHFFFAOYSA-N 370.268 3.925 0 40 FHAB Cn1cc(/C=C/C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)cn1 30013259 WEQBJYOQDHVCAV-VMPITWQZSA-N 361.449 3.611 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)Nc1cc2c(cc1Br)OCCO2 40023802 YRAXTGJJMJJPSH-JQWIXIFHSA-N 369.259 3.921 0 40 FHAB CN(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)-c2ccccc2C3)C1 40130100 RQOVODHPVOVFNT-KRWDZBQOSA-N 363.461 3.590 0 40 FHAB O=C(COCCOc1ccccc1)Nc1nc(-c2ccccc2)cs1 40128113 KAKJWMQLGHKVIF-UHFFFAOYSA-N 354.431 3.844 0 40 FHAB CSc1ccc([C@@H](C)NC(=O)NCc2ccnc(-n3cccn3)c2)cc1 31124200 MVQXAOUJAPHFFY-CQSZACIVSA-N 367.478 3.550 0 40 FHAB C[C@H](C(=O)Nc1ccc(Cl)cc1)N(C)Cc1ccc2c(c1)OCCO2 8225976 YATVSOQJYRQYFP-CYBMUJFWSA-N 360.841 3.570 0 40 FHAB CC(=O)c1ccc(C(=O)/N=c2/sccn2Cc2ccccc2F)s1 29765453 LIIPWPXKMOMVRA-HTXNQAPBSA-N 360.435 3.742 0 40 FHAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 2617418 OIHDVTFQSKVGCA-LLVKDONJSA-N 367.323 3.898 0 40 FHAB CSc1cccc(NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 1753750 XVMCFXSVNXWFBZ-UHFFFAOYSA-N 368.462 3.850 0 40 FHAB COc1ccc(CC(=O)N(C2CCC(C)CC2)C2CC2)c(OC)c1OC 32796994 BYVSHZUDTMWYFU-UHFFFAOYSA-N 361.482 3.825 0 40 FHAB CC(=O)Nc1ccc(OC(=O)c2ccc(OCc3cscn3)cc2)cc1 32747486 XSORUKVBGLPPGD-UHFFFAOYSA-N 368.414 3.900 0 40 FHAB CC(=O)c1ccc(OC[C@@H](O)CN2CCC(Cc3ccccc3)CC2)cc1 4184470 FXFKJRUFWJBJDJ-QFIPXVFZSA-N 367.489 3.584 0 40 FHAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 4502803 SMSOZDIQMOTLOH-ZDUSSCGKSA-N 372.490 3.749 0 40 FHAB CC[C@@H](C)n1nc(NC(=O)CCC(=O)O)c2cc3cc(C)ccc3nc21 4502257 FUXXEHOVFXHGBZ-GFCCVEGCSA-N 354.410 3.667 0 40 FHAB CCOC(=O)Cc1csc(SCc2nnc(-c3cccs3)o2)n1 21744713 QMCXHGFDJCMGCK-UHFFFAOYSA-N 367.477 3.653 0 40 FHAB COc1cc(CNC(C)(C)CC(C)(C)C)cc(Cl)c1OCC(N)=O 6857342 XYAXZAVCGPGQPX-UHFFFAOYSA-N 356.894 3.517 0 40 FHAB COc1ccc(OCC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 7489641 WGWVUYKBYXWHJR-UHFFFAOYSA-N 357.450 3.567 0 40 FHAB O=C(COc1ccc(Br)cc1)NCCc1ccc(Cl)cc1 2760552 HNLVFSBSNPSWLD-UHFFFAOYSA-N 368.658 3.840 0 40 FHAB COc1ccccc1OCC(=O)Nc1cccc(NC(=O)C2CCCC2)c1 54317691 GUKFLDJFGFNQNB-UHFFFAOYSA-N 368.433 3.841 0 40 FHAB CCn1c([C@H](C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 2721296 AOESDHHCNPWKEQ-ZDUSSCGKSA-N 353.422 3.564 0 40 FHAB Cc1cc(OCC(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)ccc1Cl 8276785 YCFQJZQTQOQBPP-RVSPLBMKSA-N 367.873 3.511 0 40 FHAB O=C(CSc1n[nH]c(Cc2ccccc2)n1)Nc1ccccc1Cl 8381344 MUAPADKZUCEUHR-UHFFFAOYSA-N 358.854 3.780 0 40 FHAB NC(=O)N[C@@H](CC(=O)OCc1ccc(C(F)(F)F)cc1)c1cccs1 12170586 ZUFCYHPZAAFFDJ-LBPRGKRZSA-N 372.368 3.610 0 40 FHAB Cc1cnc(NC(=O)N2CCC(CN3CCc4ccccc43)CC2)s1 111427221 XIAQOCKMQCCYMS-UHFFFAOYSA-N 356.495 3.758 0 40 FHAB CN(C)c1ccc(C(=O)N2CCCC2)cc1NC(=O)c1ccc(Cl)cc1 57291669 ZMYJUAFCSUZMJX-UHFFFAOYSA-N 371.868 3.894 0 40 FHAB COc1ccc(Cc2nn3c(-c4cccc(F)c4F)nnc3s2)cc1 12323400 JXEWGKUTWDBVCO-UHFFFAOYSA-N 358.373 3.730 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)COc1ccc(Cl)cc1)CC3 12389245 PRJJUEPTSTXFJX-UHFFFAOYSA-N 370.836 3.794 0 40 FHAB CONC(=O)/C=C/c1c(C)nn(Cc2ccc(Cl)cc2Cl)c1Cl 53720488 CXFYPZFRQKLLFQ-AATRIKPKSA-N 374.655 3.891 0 40 FHAB CC(=O)Nc1ccc2nc(NC(=O)COc3cccc(C)c3C)sc2c1 814053 JZWYISSLOCPJGR-UHFFFAOYSA-N 369.446 3.889 0 40 FHAB Cc1nc2cc(NC(=O)c3cccnc3OCC(F)(F)F)ccc2o1 24683925 CFZXRIIGTAGWKB-UHFFFAOYSA-N 351.284 3.725 0 40 FHAB O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCCCC[C@H]1c1ccco1 76510626 IYAPQUMZVLAQGB-AWEZNQCLSA-N 368.355 3.604 0 40 FHAB CCN1C(=O)[C@]2(Oc3ccccc3C(=O)N2c2ccccc2)c2ccccc21 20636606 FWUIZJBSJPGFOG-HSZRJFAPSA-N 370.408 3.945 0 40 FHAB COc1ccccc1C1=NN(C(=O)C(C)C)[C@@H](c2ccc3nccnc3c2)C1 12422074 VVGNDFSFAQDONU-HXUWFJFHSA-N 374.444 3.972 0 40 FHAB Cc1cc(S(=O)(=O)Nc2c(C)cccc2C)ccc1N1CCCC1=O 22519938 SDNGAYBOQJMLNA-UHFFFAOYSA-N 358.463 3.539 0 40 FHAB O=C(c1cc(Cl)c(I)c(Cl)c1)N1CCCC1 59842951 RNBLRURYUOXGGE-UHFFFAOYSA-N 370.017 3.834 0 40 FHAB CCOC(=O)[C@H](C)Oc1ccc2cc(-c3ccc(OC)cc3)c(=O)oc2c1 1317636 VVSBLIGYSUFBLF-ZDUSSCGKSA-N 368.385 3.799 0 40 FHAB biogenic Cc1ccccc1[C@H](C)NC(=O)N1CCC(NC(=O)c2ccccc2)CC1 24968505 MHDPSWCPRZWHSW-KRWDZBQOSA-N 365.477 3.660 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3ccc(C)c(C)c3)n[nH]2)c(OC)c1 57412829 KSYWPZPUOZJOJB-UHFFFAOYSA-N 351.406 3.963 0 40 FHAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)NC(c1ccccc1)c1ccccc1 57919555 GOSQFACWEPPIDR-INIZCTEOSA-N 362.477 3.743 0 40 FHAB O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)Nc1nnc(C2CC2)s1 58168739 YRSREJXWGXHYDW-AWEZNQCLSA-N 360.439 3.617 0 40 FHAB COc1cccc(-c2nnc(SCc3nc4ccccc4n3C)n2C)c1 58225953 QYENKLSUHFWBRQ-UHFFFAOYSA-N 365.462 3.670 0 40 FHAB CC[C@H](Sc1nnc(-c2cccs2)n1CC(N)=O)c1ccccc1 58311438 SBZDPVAFUORKIC-ZDUSSCGKSA-N 358.492 3.735 0 40 FHAB CCn1cc(Cn2c(=S)[nH]c3sc4c(c3c2=O)CC[C@H](C)C4)c(C)n1 17076689 KVNVHCYYTXSYBI-JTQLQIEISA-N 374.535 3.819 0 40 FHAB CC(C)(C)c1ccc(NC(=O)COC(=O)Cn2cnc3ccccc32)cc1 3330745 ZIWWHAMYGQYXGU-UHFFFAOYSA-N 365.433 3.516 0 40 FHAB COCCNC(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1CCCC2 2309068 NFSIQRXSKVNLJR-UHFFFAOYSA-N 372.490 3.564 0 40 FHAB COc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C)c1 2398753 KTLRYBZPXNHXRW-MRXNPFEDSA-N 355.777 3.630 0 40 FHAB CC(C)Cn1c(SCC(=O)N[C@@H](C)c2ccco2)nnc1-c1ccco1 11136264 ZRLGVLCIXSELIQ-ZDUSSCGKSA-N 374.466 3.757 0 40 FHAB Cc1ccccc1NC(=O)[C@H](C)Sc1nc2c3ccccc3ncn2n1 12863292 LZAMMYBQAQSRII-ZDUSSCGKSA-N 363.446 3.705 0 40 FHAB CCc1ccc(-c2n[nH]c(SCC(=O)NCC3CCCCC3)n2)cc1 3551277 STMSDRMJBVCTGY-UHFFFAOYSA-N 358.511 3.823 0 40 FHAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(F)c(Cl)c1 12905228 OWYCFSDQHZFYGV-SECBINFHSA-N 355.196 3.890 0 40 FHAB CC(C)CC(=O)NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20151396 MYPZCDKSXHNFIK-UHFFFAOYSA-N 366.870 3.951 0 40 FHAB C[C@H]1C[C@@H](c2ccccc2)n2nc(NC(=O)CCc3ccccc3)nc2N1 13127169 AYPOGAKWEVZOEN-YJBOKZPZSA-N 361.449 3.643 0 40 FHAB Cc1ccc(S(=O)(=O)c2nnn(-c3cccc(Cl)c3C)c2C)cc1 5043399 BKCSFULXIUYCLF-UHFFFAOYSA-N 361.854 3.679 0 40 FHAB CC1(C)CN=C(SCC(=O)NC(c2ccccc2)c2ccccc2)NC1 8745460 OUIJVRUPITVCOK-UHFFFAOYSA-N 367.518 3.611 0 40 FHAB Cc1nnc(COC(=O)c2ccccc2SCc2c(C)noc2C)o1 39606587 NDDJYJDYWZUVHE-UHFFFAOYSA-N 359.407 3.632 0 40 FHAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1 6314241 OSCUNSOGUYFYGR-JTQLQIEISA-N 358.232 3.628 0 40 FHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccncc1)N(c1cc(C)on1)C3=O 5324025 BZZHIPPGIZNMIY-GOSISDBHSA-N 373.368 3.543 0 40 FHAB Cc1ccccc1NC(=O)[C@@H](C)Sc1n[nH]c2nc3ccccc3n12 6506667 QDEPZKBJVSFJRG-GFCCVEGCSA-N 351.435 3.638 0 40 FHAB CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(Cl)cc3)n2)cc1 6668920 RSFFHBIMHUSKLT-UHFFFAOYSA-N 369.808 3.537 0 40 FHAB COc1ccc(NC(=O)c2cc(-c3cc(C)cc(C)c3O)n[nH]2)c(OC)c1 5690912 FQIVKDBHPLHXBV-UHFFFAOYSA-N 367.405 3.669 0 40 FHAB COC(=O)c1cc(Nc2ncnc3sc(C)c(C)c23)cc(C(=O)OC)c1 5637780 WSKRLRPEAFOJAO-UHFFFAOYSA-N 371.418 3.625 0 40 FHAB COc1ccc(CNC(=O)/C=C/c2ccc(Br)s2)cc1 5680860 OQMHMCSGFWUGJC-VQHVLOKHSA-N 352.253 3.849 0 40 FHAB O=C(COc1ccc2c(c1)CCC2)N1CCN(c2ccccc2Cl)CC1 6831727 JJSQJZFROAKUEP-UHFFFAOYSA-N 370.880 3.556 0 40 FHAB CCCc1cc2c(O)c(-c3ccc(C(=O)OCC)o3)c(=O)oc2cc1OC 5904276 SIQUVPQVKPGTBP-UHFFFAOYSA-N 372.373 3.896 0 40 FHAB biogenic C[C@H]1c2cccn2CCN1CC(=O)Nc1ccc(N2CCCCCC2)cc1 15417515 FEEBRFDDADVIBM-SFHVURJKSA-N 366.509 3.884 0 40 FHAB Cc1nc(-c2ccc(NC(=O)c3n[nH]c(=O)c4ccccc34)cc2)cs1 7117904 PANBKDVZYNRIOX-UHFFFAOYSA-N 362.414 3.607 0 40 FHAB C[C@@H](Sc1nc2cc(S(=O)(=O)N(C)C)ccc2o1)c1ccccc1 7254173 VVDGZUYALCEWMT-GFCCVEGCSA-N 362.476 3.931 0 40 FHAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccccc1Cc1ccccc1)CS2 7344675 LGZZDASUFZHOJO-GHTZIAJQSA-N 366.486 3.670 0 40 FHAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@H]1CCS(=O)(=O)C1 67982687 UXGBNPFIZMQEQS-HQHQJUQOSA-N 373.518 3.528 0 40 FHAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(Oc3ccccc3)cc1)CS2 7670090 QLIYJMJVPOGRCY-XLIONFOSSA-N 368.458 3.871 0 40 FHAB CCCc1cc(=O)[nH]c(SCc2cc(Cl)cc3c2OCOC3)n1 16049382 DSOLZQWGLJAKEO-UHFFFAOYSA-N 352.843 3.535 0 40 FHAB COc1ccc([C@H](CC(=O)Nc2ccc(C)cc2Cl)NC(C)=O)cc1 9054392 DAUOGYRZSCHVOP-SFHVURJKSA-N 360.841 3.863 0 40 FHAB O=C(NCCCn1ccc2ccccc21)c1cccc(N2CCCC2=O)c1 9470860 AEJCFNHRHIGBAC-UHFFFAOYSA-N 361.445 3.588 0 40 FHAB CCOC(=O)c1cnn(-c2cc(Oc3cc(C)cc(C)c3)ncn2)c1C 19910288 LBBAMIVQMZSYAU-UHFFFAOYSA-N 352.394 3.557 0 40 FHAB COC(=O)c1cccc(CNC2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)c1 97141078 BYBXZNBCRKUFQA-ROUUACIJSA-N 366.505 3.719 0 40 FHAB COc1ccc(-c2nnc(SCc3cnc(Cl)s3)n2C)cc1 79107275 KNZLIQGONBHJOE-UHFFFAOYSA-N 352.872 3.893 0 40 FHAB CCN(C(=O)[C@H](C)Oc1cccc(F)c1)c1nnc(C)c2ccccc12 89969423 QOWOUEKYMHIJRR-AWEZNQCLSA-N 353.397 3.898 0 40 FHAB C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1nnc(-c2ccccc2)n1C 89920340 KEYLEUDRBQUABH-MAUKXSAKSA-N 350.441 3.999 0 40 FHAB C[C@H]1CCCN(C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C2CCCC2)C1 36741257 DWGDIURVIOMZOG-JTSKRJEESA-N 370.537 3.921 0 40 FHAB Cc1ccc2oc(-c3cc(NC(=S)NC(=O)C(C)C)ccc3O)nc2c1 408618713 FDCDKVBNNLGATE-UHFFFAOYSA-N 369.446 3.978 0 40 FHAB COc1ccc(Oc2cc(C)nc([C@H]3CCCN(C(=O)C4CC4)C3)n2)cc1 72362032 AUFMSHCHMURUBD-INIZCTEOSA-N 367.449 3.702 0 40 FHAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)c1 225280617 BUSRFBBFVDCZSZ-IRXDYDNUSA-N 369.461 3.842 0 40 FHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCOc1cccc(C)c1C 223932550 LXOPVVXZVAPDAO-LJQANCHMSA-N 357.450 3.665 0 40 FHAB Cc1nccn1Cc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1 225298544 MSYXPASCXSJEKP-UHFFFAOYSA-N 374.444 3.619 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2snnc2-c2cccs2)cc1 225789298 CQUVQBRTTMUIDY-UHFFFAOYSA-N 359.432 3.696 0 40 FHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)[nH]1 223523982 ZUUYAKOHZVFRSJ-MOPGFXCFSA-N 363.490 3.594 0 40 FHAB C[C@H](c1noc([C@H]2COCCN2C2CCCC2)n1)c1c(F)cccc1F 574556358 QJBSBEFIWFYLQL-BLLLJJGKSA-N 363.408 3.816 0 40 FHAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1 223719866 DPEOLPAPIPGCQF-GOSISDBHSA-N 364.489 3.705 0 40 FHAB CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 223877373 SKSWOQDDUTZLOS-RBUKOAKNSA-N 364.474 3.786 0 40 FHAB Cc1ccc(C)c(OCCNC(=O)Cc2cccc(Br)c2)c1 224052534 SYURVFJWMPTKDP-UHFFFAOYSA-N 362.267 3.804 0 40 FHAB S=C(NCc1ccncc1)Nc1ccc(Br)c(Cl)c1 225333593 OHHUVGGQIPAKNO-UHFFFAOYSA-N 356.676 3.984 0 40 FHAB CCC(=O)N(Cc1ccccc1Cl)[C@H](CC)C(=O)NC1CCCC1 224323551 HGMNRQQUJVIVEC-QGZVFWFLSA-N 350.890 3.916 0 40 FHAB O=C(NCc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 48583770 JHMDVNYZEJIIHI-UHFFFAOYSA-N 360.413 3.521 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c1 224045444 VZSKQRBIVNVKGY-CVEARBPZSA-N 357.450 3.965 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F 224267832 WNUPVLZRSHUSRO-HXUWFJFHSA-N 370.468 3.620 0 40 FHAB O=C(N[C@H](c1cccnc1)C1CCOCC1)c1ccccc1C(F)(F)F 225618316 NXDUXGFVVLVRSM-KRWDZBQOSA-N 364.367 3.998 0 40 FHAB C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCc1cccc(Cn2cccn2)c1 95964901 JZPWWFKOFOUMQN-XXBNENTESA-N 360.505 3.542 0 40 FHAB Cc1ccc(CN2CCC3(CC2)C(=O)N(C)C[C@H]3c2ccccc2)s1 96100286 FXKVEMRSBKBBOO-IBGZPJMESA-N 354.519 3.895 0 40 FHAB CC[C@@H]1CN(C)CCN1C(=O)c1cccc(Oc2ccc(Cl)cc2)n1 585086007 VHYIQEFRUKWWCX-OAHLLOKOSA-N 359.857 3.694 0 40 FHAB O=C(Nc1ccn(-c2ncccc2F)n1)N[C@H]1C[C@H](c2cccc(F)c2)C1 684777229 CZDSJNPAIOTZFS-CTYIDZIISA-N 369.375 3.613 0 40 FHAB Cc1nc(-c2ncccn2)sc1C(=O)N(C)Cc1ccc(Cl)s1 55011508 RJZBVINKQHXOFU-UHFFFAOYSA-N 364.883 3.896 0 40 FHAB Cc1cccc(C(=O)OC[C@@H]2CCCO2)c1NC(=O)c1ccccc1F 62629452 VYZFSCNIAMSYKF-AWEZNQCLSA-N 357.381 3.722 0 40 FHAB O=C(NCC1CCN(c2ccncc2)CC1)C1(c2cccs2)CCCC1 70928654 SSXOWAZWWRAMJQ-UHFFFAOYSA-N 369.534 3.988 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H](Cc1ccccc1)C(=O)O 5603638 GDTCIMYEJLYEBZ-CQSZACIVSA-N 353.205 3.811 0 40 FHAB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc2c(c1)OCO2 12586647 JPUQYPULZQTDSH-LXZKKBNFSA-N 362.422 3.576 0 40 FHAB Cc1c(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)sc2ccccc12 14372212 KEGXNQOJEJODCW-UHFFFAOYSA-N 369.471 3.780 0 40 FHAB CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 15653058 RBBRRGOJTFPNRT-INIZCTEOSA-N 374.506 3.739 0 40 FHAB Cc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)nc(C2CC2)n1 1888881682 AENUAWHWOBSATJ-UHFFFAOYSA-N 370.884 3.587 0 40 FHAB C[C@H](NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccs1 23435936 BTNJPDIOYRSWOK-IVKJLDKCSA-N 360.523 3.648 0 40 FHAB Cc1c(C(=O)NCc2ccccn2)sc2nc(-c3ccc(F)cc3)cn12 4004941 FFIFYMMIWQFFRW-UHFFFAOYSA-N 366.421 3.835 0 40 FHAB COc1ccc(-n2nnc3c(SCc4ccccc4C)ncnc32)cc1 4166773 HRGIRPANKGFOGB-UHFFFAOYSA-N 363.446 3.820 0 40 FHAB Cc1ccc(N2C[C@@H](NC(=O)c3ccccc3C(F)(F)F)CC2=O)cc1 5193786 FCCUJAQUVDDGSG-ZDUSSCGKSA-N 362.351 3.549 0 40 FHAB O=C(NC[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)Nc1ccc(F)cc1 9040167 XKPWSGHDBPOKDA-LBPRGKRZSA-N 361.804 3.654 0 40 FHAB CCCC(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)c(C)c1 9569336 HHAHPWHHJBPTFA-MRXNPFEDSA-N 369.483 3.627 0 40 FHAB O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2 13695868 RMLABLQJXCKDKQ-UHFFFAOYSA-N 354.837 3.820 0 40 FHAB CCN1C(=O)Cc2cc(NS(=O)(=O)c3ccc(C(C)C)cc3)ccc21 17288994 DXVILNSUOQZWTF-UHFFFAOYSA-N 358.463 3.520 0 40 FHAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)c1cccc(F)c1 22906937 INRSXGJYWMZXSQ-HXUWFJFHSA-N 364.420 3.948 0 40 FHAB COc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(C)cc23)cc1OC 100889841 QYQMHHOGPKLFST-MGPUTAFESA-N 354.406 3.782 0 40 FHAB COc1cccc2cc(C(=O)NC[C@@H]3CCCN3c3ccccc3)oc12 211117328 MNAGUUVYSKIVCB-KRWDZBQOSA-N 350.418 3.840 0 40 FHAB COc1cc(CNC(=O)COc2ccc(C)cc2C)ccc1OC(F)F 10440841 JLISQPNHTBXRFP-UHFFFAOYSA-N 365.376 3.609 0 40 FHAB Cc1nc(-c2cccc(NC(=O)c3cnn(C)c3-n3cccc3)c2)cs1 30929195 UJHRMHKPYQOCDO-UHFFFAOYSA-N 363.446 3.895 0 40 FHAB CC[C@H]1CCCN(C(=O)c2occc2CS(=O)(=O)c2ccccc2)C1 31680199 SLUMZZOSVNNOSY-HNNXBMFYSA-N 361.463 3.516 0 40 FHAB O=C(Cn1c(CN2CCCCCC2)nc2ccccc21)N1CCCCCC1 31903409 ZATSFLPRFLOWIW-UHFFFAOYSA-N 368.525 3.815 0 40 FHAB C[C@H](C1CC1)N(C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)C1CC1 46057755 LQSABVRUWHUSSC-SNQZOLJRSA-N 366.505 3.728 0 40 FHAB C[C@H]1Oc2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2NC1=O 8014218 MQRRWAPFYVEPHU-SNVBAGLBSA-N 364.323 3.606 0 40 FHAB CCOC(=O)c1cc2c(nc1C)-c1cc(Cl)cc(Cl)c1O[C@H]2O 2654134 IORFBQNZEZHGAZ-MRXNPFEDSA-N 354.189 3.924 0 40 FHAB O=C(CSc1nnc(-c2cccs2)o1)Nc1cccnc1Cl 2621057 AYZCQQYCPOKSJR-UHFFFAOYSA-N 352.828 3.577 0 40 FHAB CCOC(=O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 848476 MUXXAWBFTHUZOR-UHFFFAOYSA-N 361.323 3.690 0 40 FHAB CC(=O)N(Cc1ccc(F)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 1359494 GGFJJGOWYMONHX-UHFFFAOYSA-N 352.409 3.833 0 40 FHAB C[C@H]1CCc2sc(C(=O)Nc3ccccc3SCC(N)=O)cc2C1 32741088 MTTAOBNBCKVFQN-NSHDSACASA-N 360.504 3.703 0 40 FHAB COc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2OC)cc1 2723192 WXPMEUDEBNZFLY-UHFFFAOYSA-N 369.446 3.620 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)[C@@]1(C)CC1(Br)Br 2772301 ZJYJCDRTXBZNPQ-ATZCPNFKSA-N 353.098 3.577 0 40 FHAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1nnc(C2CC2)s1 32891398 GJVIRFQNGHZPKK-UHFFFAOYSA-N 360.439 3.859 0 40 FHAB c1ccc(COc2ccc(OCc3nnnn3-c3ccccc3)cc2)cc1 4130392 XKKCMHFMWXVMJA-UHFFFAOYSA-N 358.401 3.820 0 40 FHAB O=C(NCCc1ccccn1)c1ccccc1OCCOc1ccccc1 21773833 UEDUKBZKVGAHBM-UHFFFAOYSA-N 362.429 3.512 0 40 FHAB C[C@@H]1CN(Cc2ccc(C(=O)N[C@@H]3CCc4ccccc43)cc2)C[C@@H](C)O1 46435321 FHEZZRCEQVNWLE-DRSNIGMVSA-N 364.489 3.713 0 40 FHAB Cc1ccc(C(=O)N2CCN(Cc3csc4ccccc34)CC2)cn1 29980395 CELSFNWOVQMUOC-UHFFFAOYSA-N 351.475 3.563 0 40 FHAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)[C@H]1CCCC[C@H]1C(=O)O 2765934 UEKYJAMFVJOBET-NWDGAFQWSA-N 367.467 3.878 0 40 FHAB CC(=O)c1c(C)[nH]c(-c2csc(CC(=O)NCc3ccccc3)n2)c1C 8103021 GIIAIKFEZMTNSJ-UHFFFAOYSA-N 367.474 3.817 0 40 FHAB CC1(C)COc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2NC1=O 8959841 XYVAAMKGPFWOPV-UHFFFAOYSA-N 358.825 3.878 0 40 FHAB COc1ccc(C(=O)OCc2cc(Br)ccc2OC)cc1 625667 RCTNWHRTEHQZGG-UHFFFAOYSA-N 351.196 3.823 0 40 FHAB COc1ccc2oc(=N)c(C(=O)Nc3ccc(Br)cc3)cc2c1 846082 VUYPCNYWGULTKM-UHFFFAOYSA-N 373.206 3.936 0 40 FHAB CC[C@@H]1CCc2c(sc3ncn4nc(-c5cnn(CC)c5)nc4c23)C1 2803686 NIKFINTVYQDEQV-LLVKDONJSA-N 352.467 3.737 0 40 FHAB CN(Cc1cnn(C)c1)C(=O)c1ccccc1-c1nc2ccccc2s1 24477140 SPFPBOPLMNOVPJ-UHFFFAOYSA-N 362.458 3.969 0 40 FHAB COc1ccc(C(=O)N(C)C)cc1NC(=O)/C=C/c1ccc(Cl)cc1 55840911 UFBACZRAPCEZCJ-IZZDOVSWSA-N 358.825 3.702 0 40 FHAB COc1ccc(CNC(=O)Nc2cccc(SC)c2)c(OC)c1OC 47324577 ZLNWISSXOUVRDM-UHFFFAOYSA-N 362.451 3.756 0 40 FHAB COc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1 12405985 ZVYPQEXMHXKDAX-UHFFFAOYSA-N 352.434 3.964 0 40 FHAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 20460489 SZDICFJYXSQMLE-INIZCTEOSA-N 352.434 3.836 0 40 FHAB C[C@H](Sc1nc2ccccc2n1C(F)F)C(=O)NCc1ccco1 43875223 IOJKDIUXZFHLIZ-JTQLQIEISA-N 351.378 3.821 0 40 FHAB Cc1nc(COc2ccc([C@@H]3NC(=O)c4ccccc4N3C)cc2)cs1 12526678 XYHFZBBTWWTNGO-LJQANCHMSA-N 365.458 3.909 0 40 FHAB O=C(NCCc1cnn(-c2ccccc2)c1)[C@H]1CCC[C@H](C(F)(F)F)C1 44414298 NWKPRIDSHLXDBQ-HOTGVXAUSA-N 365.399 3.900 0 40 FHAB O=C(CSc1ncnc2sc3c(c12)CCC3)NCc1ccc(F)cc1 3268825 ZKDCEVHZFPXWAE-UHFFFAOYSA-N 373.478 3.728 0 40 FHAB CCc1ccc(N2C[C@@H](c3nc(-c4ccc(OC)cc4)no3)CC2=O)cc1 10336621 BFUOSCKHOBUFFS-INIZCTEOSA-N 363.417 3.828 0 40 FHAB O=C([C@H]1CCOC1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 58412767 IXXMVFLMEXHSHS-LBPRGKRZSA-N 350.871 3.692 0 40 FHAB CCc1ccc(CCC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)cc1 10656495 DDSMEFPMSDLKEI-NRFANRHFSA-N 365.452 3.960 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H](C)Nc1ccc(NC(=O)C2CC2)cc1 10842159 DFALPEIVKITEFX-CQSZACIVSA-N 367.449 3.791 0 40 FHAB O=C(Nc1ccc(Cl)cc1)N1CCC(c2nnc3ccccn23)CC1 11008703 YHZMPVGXQCPPLA-UHFFFAOYSA-N 355.829 3.794 0 40 FHAB CCn1c(S[C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)nnc1-c1ccccc1 11020590 NYTFZGNWDCQGAY-HRCADAONSA-N 372.538 3.950 0 40 FHAB Cc1cc([C@@H]2CCCN2CC(=O)N2CCC(Cc3ccccc3)CC2)on1 48287864 WNGPBWZNPXMZDA-FQEVSTJZSA-N 367.493 3.601 0 40 FHAB O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc(-n2cccc2)cc1 48237353 FBTAXIMEMCNUFC-OAQYLSRUSA-N 373.456 3.571 0 40 FHAB CCOc1ccc2oc(C(=O)NC[C@@H](c3ccco3)N(C)C)c(C)c2c1 3339479 NJCFXGYNUBRVHF-INIZCTEOSA-N 356.422 3.766 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)N1CC=C(c2c[nH]c3ncccc23)CC1 11563110 CJTJZURFQBRLDR-UHFFFAOYSA-N 362.389 3.613 0 40 FHAB C[C@H](Sc1nnnn1C1CCCC1)c1nnc(-c2ccc(F)cc2)o1 8232049 WAMFOGXIROYXAM-JTQLQIEISA-N 360.418 3.831 0 40 FHAB CC(C)C(=O)Nc1cccc(CNC(=O)c2cc3cc(F)ccc3[nH]2)c1 12769393 NRRMHYDCBOBDTJ-UHFFFAOYSA-N 353.397 3.832 0 40 FHAB COc1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1OC(F)F 12752624 FFFKFHKMRAOSPO-UHFFFAOYSA-N 365.332 3.597 0 40 FHAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc2nc(C)sc2c1 12782098 TZSHDCNHRRNRIU-UHFFFAOYSA-N 354.431 3.997 0 40 FHAB Cc1cccc(NC(=O)CNC(=O)c2cc3ccc(F)cc3nc2C)c1C 12799622 HOHWIRDJDPMNLX-UHFFFAOYSA-N 365.408 3.668 0 40 FHAB O=C(CN1CCCCC1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 8211658 BVKVVIVJNXZCOR-UHFFFAOYSA-N 372.490 3.538 0 40 FHAB Fc1cccc(-c2cnc3n2C[C@@]2(CCN(Cc4cccs4)C2)OC3)c1 306139123 SPYAVASMRHWPFA-FQEVSTJZSA-N 369.465 3.926 0 40 FHAB CCN(C(=O)[C@H](C)OC(=O)Cc1c[nH]c2ccccc12)C1CCCCC1 12811101 PDWYUGJRQJLXTR-HNNXBMFYSA-N 356.466 3.823 0 40 FHAB COc1ccc2c(CC(=O)OCC(=O)Nc3ccccc3Cl)coc2c1 3419550 TXPRECPPKRKBEP-UHFFFAOYSA-N 373.792 3.819 0 40 FHAB Cc1cc(C(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)c(C)o1 3464117 GAMTWIMYSBEXLM-UHFFFAOYSA-N 355.390 3.996 0 40 FHAB Cc1nc(-c2ccc(CNC(=O)CCCNC(=O)C(C)(C)C)cc2)cs1 12976080 LZBVNTNWJRDGOG-UHFFFAOYSA-N 373.522 3.677 0 40 FHAB COc1cc2c(cc1OC)CN(c1ncnc3cc(Cl)ccc13)CC2 12927301 AYGWFOUFAGOAIH-UHFFFAOYSA-N 355.825 3.863 0 40 FHAB CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nc2ccccc21 8394832 YFVWLUKYAGBPBR-GFCCVEGCSA-N 369.446 3.904 0 40 FHAB COc1ccc(-c2nc(C)c(C(=O)Nc3nccs3)s2)cc1OC 13728564 FNIIKUQLFWSBEX-UHFFFAOYSA-N 361.448 3.845 0 40 FHAB Cn1c(SCC(=O)c2ccc3c(c2)CCCC3)nnc1-c1ccncc1 6171007 FRLIRVDFAUVSCS-UHFFFAOYSA-N 364.474 3.731 0 40 FHAB Cc1ccc(N(Cc2ccco2)C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1 39975940 YIYWQNBBRALLJN-YLJYHZDGSA-N 370.474 3.575 0 40 FHAB Cc1ccc2c(CC(=O)OCC(=O)N3[C@@H](C)CCC[C@@H]3C)coc2c1C 5301933 BXPLSVXBMINMMP-GJZGRUSLSA-N 357.450 3.925 0 40 FHAB CCC(=O)N(Cc1ccccn1)Cc1ccc(Br)cc1F 65936290 OCGZNOJQEBULJV-UHFFFAOYSA-N 351.219 3.922 0 40 FHAB COc1ccc(C2=Nn3c(Cc4ccc(Cl)cc4)nnc3SC2)cc1 22764694 SMOLFXYSLWEAII-UHFFFAOYSA-N 370.865 3.889 0 40 FHAB CCNC(=O)NC(=O)[C@@H](Sc1ccc2ccccc2n1)c1ccccc1 5627537 ODKOHDWSQPZPIR-SFHVURJKSA-N 365.458 3.914 0 40 FHAB Cc1cc(CN(C)C(=O)c2c(-n3cccc3)sc3c2CCCC3)no1 25137460 DLALKLPKXBAQSR-UHFFFAOYSA-N 355.463 3.986 0 40 FHAB CCn1cc(CN2Cc3cn(-c4ccccc4)nc3-c3ccn(C)c3C2)cn1 306133245 MGRAZGRDIXRCFB-UHFFFAOYSA-N 372.476 3.610 0 40 FHAB COC(=O)c1ccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)cc1 7946147 FXSVCWGMQBCMSU-UHFFFAOYSA-N 357.454 3.514 0 40 FHAB C[C@H](Sc1n[nH]c2nc3ccccc3n12)C(=O)N[C@H](C)c1ccccc1 9318422 HGQURIAVLPZZKX-OLZOCXBDSA-N 365.462 3.569 0 40 FHAB Cc1cccc(NC(=O)CN(C)C(=O)CCc2ccc(Cl)cc2)c1C 9479726 XJEUEZYWNFZYNM-UHFFFAOYSA-N 358.869 3.987 0 40 FHAB COc1ccc(OCCCN2CCN(c3cccc(C)c3C)CC2)cc1 71805505 BVHYZONMPYFEMW-UHFFFAOYSA-N 354.494 3.903 0 40 FHAB CCc1nc(C(=O)N(C)[C@H](C)c2ccccn2)nn1-c1ccccc1Cl 71847896 GKPQMKKVVMMCQQ-CYBMUJFWSA-N 369.856 3.711 0 40 FHAB CCOc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)[nH]2)cc1 9614906 LQGNDYORVRAACA-UHFFFAOYSA-N 368.462 3.525 0 40 FHAB COc1cc(C(=O)O)cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(C)s2)c1OC 95424832 HQGNOERYWIIAIP-NWDGAFQWSA-N 361.419 3.514 0 40 FHAB CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)[C@H](C)c1c(C)noc1C 95994198 DWFWICOOKJVQKP-HSOHIQCKSA-N 350.846 3.941 0 40 FHAB CC[C@@H](NC(=O)Nc1ccc(OC)c(OC(F)F)c1)c1cnn(CC)c1 75104743 LEMCWWJOPSQNSK-CYBMUJFWSA-N 368.384 3.786 0 40 FHAB COc1cccc(OC)c1C(=O)N[C@@H](C)c1ccc(-n2cccc2)cc1 28221047 ZGDYDGSDIGVVQM-HNNXBMFYSA-N 350.418 3.986 0 40 FHAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)NCCc3ccccc3)c12 36616684 CNXUYHPAQRVCDM-UHFFFAOYSA-N 360.417 3.509 0 40 FHAB C[C@@H](NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccccn1 505163529 DVOFFCADDSRRMJ-GFCCVEGCSA-N 360.339 3.777 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(C2CCCCC2)C(=O)[C@@]31C 2108822 LILLEEGDOWCKBH-OAQYLSRUSA-N 367.449 3.545 0 40 FHAB biogenic CCOc1cc(CNc2cccc(C(=O)O)c2)cc(Br)c1O 408608279 LBECZGHPXNTNTG-UHFFFAOYSA-N 366.211 3.864 0 40 FHAB O=C(Nc1nc(-c2cccs2)cs1)c1cnn(-c2ccccc2)n1 32674690 GGWROJSNMBMQFI-UHFFFAOYSA-N 353.432 3.705 0 40 FHAB COc1ccc(-c2csc(CNC(=O)COc3ccccc3)n2)cc1 72264929 UXVRGQADMBBXFE-UHFFFAOYSA-N 354.431 3.514 0 40 FHAB COc1ccc(-c2nc(CCNC(=O)c3cccc(F)c3C)co2)cc1 1542654578 VBAFZBMQLODLBU-UHFFFAOYSA-N 354.381 3.770 0 40 FHAB COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4cc[nH]n4)C3)n2)c1 72349781 HWTOQBHSFLIBNS-MRXNPFEDSA-N 362.433 3.500 0 40 FHAB CC(C)(C)c1ccc(C(=O)N2CC(=O)N3CCc4ccccc4[C@@H]3C2)cc1 36070976 VGCOOPZDXRIFPR-FQEVSTJZSA-N 362.473 3.566 0 40 FHAB O=C(NCCOc1ccccc1)NC[C@H](c1ccsc1)c1ccco1 675008031 PCERAZHLHIYCEZ-QGZVFWFLSA-N 356.447 3.851 0 40 FHAB COc1cccc(CNC(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 31043122 WUOSVHMQUGXOMO-CQSZACIVSA-N 367.449 3.604 0 40 FHAB CCn1cc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)c2ccccc21 32820442 YGWNNBZHULAMQW-UHFFFAOYSA-N 364.445 3.877 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)c(C)c1 219539128 GRSIAFNQLCIFRR-CQSZACIVSA-N 371.462 3.841 0 40 FHAB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccccc2F)C1=O 210807351 JIHAROCTADNZEW-MHWRWJLKSA-N 370.405 3.809 0 40 FHAB CCc1cccc(NC(=O)CSc2nc3ccc(C)cc3c(=O)n2C)c1 46877224 AFHJNJFUAWHCCN-UHFFFAOYSA-N 367.474 3.535 0 40 FHAB CC[C@@H](C(=O)Nc1cc(C)cc(C)c1)N(c1cccc(C)c1)S(C)(=O)=O 220494009 DAMBEIOZBMZDFZ-IBGZPJMESA-N 374.506 3.795 0 40 FHAB CCOCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)c(C)n1 225900561 GRIOXWUZYFURDW-MGPUTAFESA-N 364.486 3.729 0 40 FHAB Cc1ccc(NC(=S)NCc2ccccc2CN2CCCC2=O)cc1 45704475 LEBONEMYFAHFAV-UHFFFAOYSA-N 353.491 3.604 0 40 FHAB CC[C@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccc(OC)c(OC)c1 225718735 RFVWOLVCZXFVJX-AWEZNQCLSA-N 374.462 3.870 0 40 FHAB CCOc1ccc(-c2noc(CNC(=S)Nc3ccccc3)n2)cc1 225829641 SQWHBGDKJLHKTH-UHFFFAOYSA-N 354.435 3.622 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cccc(C)c1 222935391 QWLBOHULQYMCNQ-MRXNPFEDSA-N 372.896 3.744 0 40 FHAB CCCN(CC1CC1)C(=O)Nc1ccc(I)cc1 48342887 KSWFXKXDRSWZDT-UHFFFAOYSA-N 358.223 3.945 0 40 FHAB O=C(Nc1ccc(F)cc1)C1CCN(C(=O)OCc2ccccc2)CC1 91690251 QTSRKXBZXBBWEF-UHFFFAOYSA-N 356.397 3.813 0 40 FHAB c1cncc(COC[C@@]23CCCO[C@@H]2CCN(Cc2cccs2)C3)c1 96040084 QBORJASJTLBCMH-UXHICEINSA-N 358.507 3.731 0 40 FHAB OC[C@]1(Cc2ccc(F)cc2)CCN(c2cncc(-c3ccccc3)n2)C1 585083473 NTWFTFIUHZKNMQ-QFIPXVFZSA-N 363.436 3.714 0 40 FHAB COc1ccc([C@@H]2Cn3c(C)cnc3CN2C(=O)c2ccsc2)cc1 257226504 FKWPNRQAHRPQQA-KRWDZBQOSA-N 353.447 3.659 0 40 FHAB CN(C)CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257274022 NJFHBIPSOMSNFR-QGZVFWFLSA-N 361.873 3.534 0 40 FHAB Cc1cccc(Nc2cc(C3CCN(Cc4cn(C)cn4)CC3)ccn2)n1 257288400 PUAXBRWJQWXIRR-UHFFFAOYSA-N 362.481 3.642 0 40 FHAB CCc1ccc(-c2n[nH]c(S[C@@H](Cc3ccccc3)C(=O)O)n2)cc1 1776005498 COJANZYEPXFUAI-INIZCTEOSA-N 353.447 3.822 0 40 FHAB COc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCc2ccccc21 41095829 OTDWZDZKBHCWAV-UHFFFAOYSA-N 351.855 3.799 0 40 FHAB C=CC(=O)Nc1ccc(O)c(C(=O)N(Cc2ccc(C)c(C)c2)C2CC2)c1 1628558091 MPUCDMZSZRCQNB-UHFFFAOYSA-N 364.445 3.938 0 40 FHAB O=C(Nc1ccc(Cl)cc1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 5604876 UVGJZZJMFQCHDN-MRXNPFEDSA-N 357.797 3.639 0 40 FHAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3C)o2)cc1 5788743 AKKIUTQOZBDOQD-UHFFFAOYSA-N 369.446 3.708 0 40 FHAB C[C@@H](Cn1c(=O)oc2ccccc21)NC(=O)CC12CC3CC(CC(C3)C1)C2 12142048 YKYLAGQEUDVGFA-HIGJEIRPSA-N 368.477 3.706 0 40 FHAB COc1c(C)cccc1C(=O)Nc1ccc2nn(-c3ccccc3)nc2c1 14258086 NUSFIWBRYWFABK-UHFFFAOYSA-N 358.401 3.990 0 40 FHAB Cn1cc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccccc3)no2)c2ccccc21 15674118 GHVRBDMDAKFHDQ-XLIONFOSSA-N 374.444 3.536 0 40 FHAB biogenic,in-vitro CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1cn2cc(C)ccc2n1 16209793 RKJUAYDCJDTNGT-UHFFFAOYSA-N 357.435 3.636 0 40 FHAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)C[C@H](C)n2ccnc2)n1 19240151 LDHCAHWORXONSH-DZGCQCFKSA-N 360.508 3.761 0 40 FHAB Cc1cccc(OC2CCN(C(=O)c3c(C)nc4c(C)cccn34)CC2)c1 19660850 GXWZHWNSMDAVNI-UHFFFAOYSA-N 363.461 3.943 0 40 FHAB O=c1c2cnc(N3CCCCC3)nc2ccn1-c1cccc2ccccc12 19958937 IELVHQUBHCELCS-UHFFFAOYSA-N 356.429 3.924 0 40 FHAB O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cc(O)ccc1Cl 516941723 TUIMGRPWXDHUEY-SNVBAGLBSA-N 369.223 3.847 0 40 FHAB CCC(=O)c1ccccc1OCC(=O)Nc1c(F)c(F)c(F)c(F)c1F 3217537 XBSIMTZUWXRUAO-UHFFFAOYSA-N 373.277 3.992 0 40 FHAB COc1cc(CC(=O)N[C@H]2CCSc3ccccc32)cc(OC)c1OC 5425641 WTQCNPFMJWQWBX-HNNXBMFYSA-N 373.474 3.608 0 40 FHAB COCC(=O)Nc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccccc12 4162555 WEOGGIUYUXWGIU-UHFFFAOYSA-N 358.781 3.923 0 40 FHAB Cc1cccc(CC(=O)NCCSc2ncc(-c3ccccc3)[nH]2)c1 4315602 MGSQQDXYNJPLSM-UHFFFAOYSA-N 351.475 3.836 0 40 FHAB Cc1cc(C)cc(C(=O)NCCOc2ccc(-c3ccc(F)cc3)nn2)c1 10509354 VTJIJSDZUIWEHE-UHFFFAOYSA-N 365.408 3.708 0 40 FHAB CCOc1ccc(S(=O)(=O)NCC2(c3ccc(F)cc3)CC2)cc1C 11901937 NPZCJBZEJLJYQR-UHFFFAOYSA-N 363.454 3.543 0 40 FHAB CC(=O)C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2c(C)cc(C)cc21 9319481 CPBSZIQPSHWRIG-HXUWFJFHSA-N 357.837 3.670 0 40 FHAB CO[C@H](CNC(=O)c1cc(Br)cs1)c1ccccc1C 96105034 YJDDBVQHRKDWIU-CYBMUJFWSA-N 354.269 3.937 0 40 FHAB CNC(=O)COc1ccc(/C=C/c2nc3cc(C)ccc3s2)cc1OC 40139777 BAETVJFCGKQANU-RMKNXTFCSA-N 368.458 3.909 0 40 FHAB O=C1c2ccccc2-c2cc(N3CCC4(CC3)OCCO4)nc3cccc1c23 20623001 WRRCVQZTYRSVQE-UHFFFAOYSA-N 372.424 3.790 0 40 FHAB CCc1sc(C(=O)NCC(=O)N(C)Cc2ccc(Cl)s2)cc1C 32796526 FTBSHBIOODSXEL-UHFFFAOYSA-N 370.927 3.722 0 40 FHAB CCn1ncc(-c2ccnc3cc(C(=O)Nc4cccc(C)c4C)nn23)c1C 2799906 JQALRPMCDLZYDE-UHFFFAOYSA-N 374.448 3.790 0 40 FHAB CCOC(=O)c1c(N2C(=O)C=CC2=O)sc2c1CC[C@H](C(C)(C)C)C2 4291729 RYDUIBQJGBTGOR-NSHDSACASA-N 361.463 3.505 0 40 FHAB COc1ccc(NC(=O)CSc2nc(C)c(C)n2C2CC2)c(OC)c1 32894096 WZWNIZVQPYLUSQ-UHFFFAOYSA-N 361.467 3.583 0 40 FHAB CC(=O)Nc1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 4349961 OHQJOHSMIOMRFT-UHFFFAOYSA-N 366.461 3.505 0 40 FHAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3F)CC2=O)cc1 4400680 JFAIQHGTSCJCHI-AWEZNQCLSA-N 356.397 3.606 0 40 FHAB CC(=O)Oc1ccccc1C(=O)OCC(=O)Nc1cccc2ccccc12 2783500 CSQLNGODMKIZFX-UHFFFAOYSA-N 363.369 3.561 0 40 FHAB Cc1cccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)c1 6422292 SLONVMXNUAEBDN-UHFFFAOYSA-N 353.447 3.694 0 40 FHAB O=C(O)c1c2c(cc3c1C[C@]1(Cc4cc5c(cc4C1=O)CCC5)C3)CCC2 6499868 JVBHPJDVMMRBFN-DEOSSOPVSA-N 358.437 3.886 0 40 FHAB CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(N(C)C)cc1 7438501 CETWLLLCJSEJAW-UHFFFAOYSA-N 354.450 3.673 0 40 FHAB CC(=O)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 7929301 JCCZLVCCXLPGMA-OAHLLOKOSA-N 371.820 3.810 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)Nc3cccc(OC(C)C)c3)CC2=O)cc1 103717155 HWHCUSNANRUNOP-MRXNPFEDSA-N 352.434 3.774 0 40 FHAB CC(C)Oc1ccc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2cccnc2)cc1 100148519 HBZYLPHEUVFRFD-NHCUHLMSSA-N 366.505 3.989 0 40 FHAB CC[C@H](C)[C@@H](C(=O)Nc1ccc(N2CCOCC2)nc1)c1ccccc1 32903601 GJXBYBGRGFEREY-OXJNMPFZSA-N 353.466 3.687 0 40 FHAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1cc(Cl)cc(Cl)c1 10314619 BJKSUHRZVYYKQS-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB CS[C@H](C)C(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 47187612 ADVWVIYWXUUYHX-RHSMWYFYSA-N 360.548 3.715 0 40 FHAB COc1cccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 8167140 HMZCJAAHLVFTPU-UHFFFAOYSA-N 372.380 3.748 0 40 FHAB CCN(CC)CCOc1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1 47206753 NSVKBNHXOLCSKB-FQEVSTJZSA-N 368.477 3.661 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)n1cc(Br)cn1 28224368 HHCBNDKCCQYYIG-QMMMGPOBSA-N 358.623 3.507 0 40 FHAB O=C(c1ccc(F)cc1)c1oc2ccccc2c1NC(=O)[C@@H]1CCCO1 61997247 NWMOKLMWGFCSNN-INIZCTEOSA-N 353.349 3.920 0 40 FHAB CC(C)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1 23717724 SSCGECZBXKNGTN-UHFFFAOYSA-N 372.899 3.588 0 40 FHAB O=C(/C=C/c1ccc2c(c1)CCO2)N1CCC(c2nc3ccccc3[nH]2)CC1 28000039 VLPCVVNICMIOSY-SOFGYWHQSA-N 373.456 3.917 0 40 FHAB CCOC(=O)c1ccccc1N(C)C(=O)c1cc(C)n(-c2ccccc2)n1 105968629 YFXRMZJWRXXGMG-UHFFFAOYSA-N 363.417 3.634 0 40 FHAB CC1(C)C(c2ccccn2)=[N+]([O-])[C@H](c2ccc(Cl)cc2Cl)N1O 1297687 TZRNYKDNJLIXPA-HNNXBMFYSA-N 352.221 3.870 0 40 FHAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 106110630 WSQPDURRNZVUOI-ARFHVFGLSA-N 354.416 3.998 0 40 FHAB COc1ccc(CNC2CCN(c3ccccn3)CC2)c(Cl)c1OC 106366704 OVUATRKIFLTMNR-UHFFFAOYSA-N 361.873 3.511 0 40 FHAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCC)c(OC)c1 107989223 CNDJROXAIRNJON-KRWDZBQOSA-N 374.462 3.862 0 40 FHAB O=C(Cc1ccc(-n2cccc2)cc1)Nc1ccc(Br)cn1 59250979 YSXOQNHFSWZGSJ-UHFFFAOYSA-N 356.223 3.816 0 40 FHAB Cc1cccc(C)c1N[C@@H]1CC(=O)N(c2ccccc2Br)C1=O 101276887 JVMTTXBJVISYDS-CQSZACIVSA-N 373.250 3.810 0 40 FHAB COC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 107052188 VMZFWPRSMURGMA-BEVDRBHNSA-N 367.445 3.579 0 40 FHAB Cc1c(-c2cccs2)nn2c(O)cc([C@H](C)Cn3nccc3C)nc12 100775782 RFFQYIHQXVQKPN-LLVKDONJSA-N 353.451 3.780 0 40 FHAB O=C(N[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F)[C@H]1COCCO1 108159617 CFODXWYKYMYRDZ-DJIMGWMZSA-N 371.399 3.653 0 40 FHAB COc1ccccc1NC(=O)COc1ccc2c(C)c(Cl)c(=O)oc2c1 28539771 BMBJSHXMGYHCTK-UHFFFAOYSA-N 373.792 3.781 0 40 FHAB Cc1cc(CSc2ncccc2C(=O)Nc2nccn2CC2CC2)no1 58014409 LRWRULKLOQMWOG-UHFFFAOYSA-N 369.450 3.529 0 40 FHAB Cc1ccc(C)c(N[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c1 101076853 REMBROSMMZLGCV-MRXNPFEDSA-N 373.250 3.810 0 40 FHAB COc1ccccc1[C@@H](C)NCC(=O)Nc1ccc(OC(F)F)cc1 58163992 OEAGEIRCDNKOPB-GFCCVEGCSA-N 350.365 3.586 0 40 FHAB C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2csc(-c3ccco3)n2)C1 58159820 QKBIGEZFKKKZGH-ZBFHGGJFSA-N 367.474 3.968 0 40 FHAB COCc1nc2ccc(NC(=O)c3cccc(Br)c3)cc2[nH]1 44922068 UEGCWKRMRDYVFC-UHFFFAOYSA-N 360.211 3.724 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)c2cc(C)n(C(C)(C)C)n2)cc1OC 45063304 AHYBPPTUTUVUPR-KRWDZBQOSA-N 371.481 3.941 0 40 FHAB CCn1nnc2cc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)ccc21 48324310 VZJYHWQYHXHNOK-UHFFFAOYSA-N 350.209 3.593 0 40 FHAB CCOc1ccc(-c2nnc3sc(-c4ccc(OC)cc4)nn23)cc1 2399060 DNUIFFJSXVKVKD-UHFFFAOYSA-N 352.419 3.927 0 40 FHAB COc1ccc(NC(=O)Cc2nc(-c3ccccc3)oc2C)cc1OC 12820939 IOLBWPVHFYQVEM-UHFFFAOYSA-N 352.390 3.848 0 40 FHAB Cc1cc(C)c(OCC(=O)Nc2ccc(C(=O)NC3CC3)cc2)c(C)c1 12911745 MKTKSVOQOONICT-UHFFFAOYSA-N 352.434 3.522 0 40 FHAB Cc1nc2ccc(N3CCOCC3)cc2c(O)c1CN(C)C1CCCCC1 8717464 ZPPANMOXRDWLLX-UHFFFAOYSA-N 369.509 3.850 0 40 FHAB O=C(CN1C(=O)CSc2ccccc21)Nc1ccc(O)c2ccccc12 8750624 GCROGMCAELNZEB-UHFFFAOYSA-N 364.426 3.623 0 40 FHAB COc1cccc(-c2cc(O)n3nc(SCc4ccccc4)nc3n2)c1 18240894 CPFCZUXCZARJCF-UHFFFAOYSA-N 364.430 3.798 0 40 FHAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cccc(Br)c2)[C@@H]1C 6383719 QQEBKXADGXLDAT-JMSVASOKSA-N 368.271 3.547 0 40 FHAB COc1ccc(NC(=O)c2nnn(-c3ccc(C)c(F)c3)c2C)cc1Cl 4484190 HRSHCEKEGSLIBR-UHFFFAOYSA-N 374.803 3.938 0 40 FHAB CCOc1ccc(OCC(=O)NC[C@@H](Nc2ccccc2)C(C)C)cc1 65575622 MEIABPXJQZPOQL-HXUWFJFHSA-N 356.466 3.717 0 40 FHAB CCOc1ccc2nc(SCC(=O)Nc3cc(C(C)C)no3)[nH]c2c1 6510101 HSTNXSQGRFNPPA-UHFFFAOYSA-N 360.439 3.804 0 40 FHAB CCCC(=O)N1CCc2c([nH]c3ccccc23)[C@@]12C(=O)N(C)c1ccccc12 6624270 KBPZJBRTXRXSNB-QHCPKHFHSA-N 373.456 3.573 0 40 FHAB biogenic CCN(C(=O)CCn1c(=O)oc2cc(Cl)ccc21)c1ccc(F)cc1 19358420 QSIVLPXODQGYAV-UHFFFAOYSA-N 362.788 3.830 0 40 FHAB O=C(c1c[nH]c2ccccc12)N1CCN(c2nsc3ccccc23)CC1 9051305 JSAMJGCMGPKTOU-UHFFFAOYSA-N 362.458 3.740 0 40 FHAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1-n1cnnn1 6850098 UMSNSCVKHQVNLU-UHFFFAOYSA-N 357.373 3.707 0 40 FHAB Cc1cc2nc(SCC(=O)Nc3ccccc3C)n(C(C)C)c(=O)c2[nH]1 67235969 KFILSBDCJQBBLW-UHFFFAOYSA-N 370.478 3.653 0 40 FHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1cccc2ccccc12 7170206 KQAHHFYKSJBVJE-HNNXBMFYSA-N 360.413 3.983 0 40 FHAB COc1cc(C)ccc1OCC(=O)Nc1nc(-c2ccccn2)cs1 9117701 BGHVNHGVYBHXPR-UHFFFAOYSA-N 355.419 3.540 0 40 FHAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cccc(COCC2CC2)c1 68433195 YEFCJVMNMKSIAG-VBKZILBWSA-N 353.418 3.780 0 40 FHAB C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@H](C)c2cccc(Cl)c2)C1=O 16204895 XSYPPUZDVMRZPJ-KGLIPLIRSA-N 372.852 3.721 0 40 FHAB Fc1cccc(-c2nc(C3CC3)ncc2-c2nnnn2-c2ccccc2)c1 16523930 COTTVXJEFZOMOT-UHFFFAOYSA-N 358.380 3.803 0 40 FHAB O=C(NCCSc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1 8125239 GWGACSOILFTDFL-UHFFFAOYSA-N 374.893 3.989 0 40 FHAB C[S@@](=O)Cc1cccc(C(=O)Nc2ccc(Nc3ccccc3)nc2)c1 69321481 GXZCUNJDOIIHSQ-SANMLTNESA-N 365.458 3.956 0 40 FHAB Cc1c(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)sc2ccccc12 9577813 CNWFNMUEWIIETP-ODXCJYRJSA-N 370.474 3.893 0 40 FHAB O=C(O)CCCCCNC(=O)c1cc(-c2ccco2)nc2ccccc12 72401226 ULZCDFIQFMQSND-UHFFFAOYSA-N 352.390 3.870 0 40 FHAB COc1cc(/C=C2/N=C(C(C)(C)C)OC2=O)cc(OC)c1OC(F)F 96939750 TZRCDFVIERZXBQ-UXBLZVDNSA-N 355.337 3.648 0 40 FHAB O=c1[nH]n(C2CCCCC2)c2c1[C@H](c1cccc(O)c1)SCC(O)=N2 95475356 BNPMZFOTHNRHCR-INIZCTEOSA-N 359.451 3.811 0 40 FHAB O=C(Nc1ccc2nn[nH]c2c1)c1cc(-c2ccco2)nn1-c1ccccc1 79021351 TXWKTRBHSGNNCY-UHFFFAOYSA-N 370.372 3.656 0 40 FHAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1nccs1 408573110 LZMAUJBWKMOCDK-VQHVLOKHSA-N 355.444 3.930 0 40 FHAB CCC(=O)N1CCC2(CC1)Oc1ccccc1-c1ncn(CC3CC3)c12 306126728 FDNDCGTWYXLRCK-UHFFFAOYSA-N 351.450 3.580 0 40 FHAB Cc1cnn(-c2ccc(C(=O)N3CCOc4ccc(Cl)cc43)cc2)c1 172682661 ADRJODQZWHGREW-UHFFFAOYSA-N 353.809 3.873 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1C 408620805 JVQWPUGWOOXFDJ-UHFFFAOYSA-N 372.368 3.773 0 40 FHAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)c1 408681161 PQAACTXULORFDJ-QGZVFWFLSA-N 366.461 3.945 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc(C)n2-c2ccc(F)cc2)c1 409108674 YJXHAERLXGWTBW-UHFFFAOYSA-N 356.426 3.754 0 40 FHAB O=C(NCc1coc2ccccc12)N1CCO[C@H](CCc2ccccc2)C1 516346507 BJVFBBHOFSMYHT-LJQANCHMSA-N 364.445 3.976 0 40 FHAB CCc1cnccc1[C@@H](C)NC(=O)N1CCCc2cc(OC)ccc2C1 538037956 IXYHUCKQYOUCSX-OAHLLOKOSA-N 353.466 3.872 0 40 FHAB O=C(NCC1CCOCC1)c1cc(-c2cccs2)nn1-c1ccccc1 72402727 AJWZUMVIYAEGSX-UHFFFAOYSA-N 367.474 3.757 0 40 FHAB Cc1ccc([C@H](C)NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1C 219139546 YUQGXOUVQFHYKX-INIZCTEOSA-N 364.445 3.557 0 40 FHAB CCN(C(=O)[C@@H](C)S(=O)(=O)Cc1cc(C)ccc1C)c1ccccc1 32929579 JYVXZJQTDBXZKI-QGZVFWFLSA-N 359.491 3.660 0 40 FHAB Cc1ccc(C(=O)N[C@@H](C(=O)Nc2nc(C(C)C)cs2)C(C)C)cc1 32810698 HMHZWKGFQLCPMD-MRXNPFEDSA-N 359.495 3.968 0 40 FHAB CCCn1nnc(NCc2ccc(OCc3ccccc3C)c(OC)c2)n1 32617024 LPKYMWBRERSYHE-UHFFFAOYSA-N 367.453 3.591 0 40 FHAB O=C(O)[C@H]1CC(=O)N(c2ccc3nc(Cc4ccc(Cl)cc4)oc3c2)C1 70461420 IWWQGYULXJPYSY-LBPRGKRZSA-N 370.792 3.510 0 40 FHAB C[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccncc1 48286981 KGDBMIXNVYTKCO-GFCCVEGCSA-N 357.360 3.825 0 40 FHAB CC(C)NC(=O)COc1ccccc1-c1nc(-c2ccccc2Cl)no1 49734288 HECQXOHYZJNOCZ-UHFFFAOYSA-N 371.824 3.960 0 40 FHAB CCc1ccc(OCCNC(=O)[C@H](C)Sc2ccc(OC)cc2)cc1 224340019 CYJDGVDRRLEROC-HNNXBMFYSA-N 359.491 3.933 0 40 FHAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(N2CCCC2)cc1 224917310 VLXSAJYHPZELLH-UHFFFAOYSA-N 350.871 3.882 0 40 FHAB Cc1cccnc1NC(=S)NCC1(c2ccc(F)cc2)CCOCC1 224026163 VRPCANVXKBEWHA-UHFFFAOYSA-N 359.470 3.564 0 40 FHAB NC(=O)c1cc(NC(=O)NCc2ccc(C(F)(F)F)cc2)ccc1Cl 45703882 UUUGZBKVDIQUOR-UHFFFAOYSA-N 371.746 3.779 0 40 FHAB CCCSc1nnc(NC(=O)c2ccc(CN3CCCC3)cc2)s1 225659824 ZWBVXCPWUWNCNE-UHFFFAOYSA-N 362.524 3.888 0 40 FHAB COc1ccc(NC(=S)N[C@H](C)COc2ccccc2)c2cccnc12 225784829 ATSFYIGPCCKARO-CQSZACIVSA-N 367.474 3.997 0 40 FHAB O=C(Cc1ccc(Cl)cc1F)NCCCN1CCc2ccccc2C1 223571846 ZBBSXUHJUAZEJK-UHFFFAOYSA-N 360.860 3.586 0 40 FHAB COC(=O)c1cc(S(=O)(=O)NC(C)(C)CC(C)(C)C)ccc1Cl 225109260 SXVNIPLGOCRZDE-UHFFFAOYSA-N 361.891 3.620 0 40 FHAB CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2C)c1 224121027 BALKESHHOHNABJ-INIZCTEOSA-N 374.506 3.739 0 40 FHAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@H](C)C(C)C)ccc1C 225199899 HOEJLKXQCSGKRW-MRXNPFEDSA-N 374.506 3.879 0 40 FHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)o1 223482950 BOYHCQAMTFFNFD-QZTJIDSGSA-N 350.447 3.551 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccccc1 224096096 SPYCWQULVNUOHW-HXUWFJFHSA-N 352.478 3.563 0 40 FHAB CCOC(=O)c1coc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1 199817687 AZOGRYMJFHKVCI-UHFFFAOYSA-N 356.375 3.528 0 40 FHAB Cc1cnc([C@@H](C)S(=O)(=O)c2nccn2-c2ccc(C(C)C)cc2)o1 579077050 GPIOEXOWHNJVHA-CQSZACIVSA-N 359.451 3.827 0 40 FHAB O=C(c1ccccc1Cl)N1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 98211657 XITRJRSYJMLCDK-UHFFFAOYSA-N 366.852 3.693 0 40 FHAB Cc1ccc(CN2CC[C@H]3CO[C@H](CN(C)Cc4ccco4)[C@H]3C2)s1 96056297 VJQCGGUAPPSNMQ-FFZOFVMBSA-N 360.523 3.618 0 40 FHAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)c2cccn2C(C)C)cc1 583619074 RMNNTTVOKQXTBG-PZJWPPBQSA-N 356.466 3.590 0 40 FHAB O=C(/C=C\c1cccs1)N1C[C@@H](c2ncon2)[C@H](c2ccccc2)C1 253403488 PZIIEGVBBUMZAM-LZDOZHLXSA-N 351.431 3.554 0 40 FHAB Cc1ncc(-c2ccc(C[C@H]3CCCN(C(=O)C(C)(C)C)C3)cn2)n1C 257338298 YWUAUTGIWIHEOC-QGZVFWFLSA-N 354.498 3.618 0 40 FHAB CCCn1nccc1-c1cncc(CC2CCN(C(=O)C(C)(C)C)CC2)n1 257321261 WAWNGPXQPBMTRW-UHFFFAOYSA-N 369.513 3.577 0 40 FHAB O=C(/C=C/c1cc(F)ccc1F)NCCn1cc(-c2ccccc2)cn1 253473716 XLZPJWHWDFXVPO-RMKNXTFCSA-N 353.372 3.658 0 40 FHAB O=S1(=O)c2ccccc2C(c2ccccc2)=NN1Cc1ccccc1F 90610250 PBJYJLAOUOXKSE-UHFFFAOYSA-N 366.417 3.783 0 40 FHAB O=C(Nc1ccc(-c2ccc(Cl)s2)nc1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 626556873 VNQHYMRLQAMSHY-OWRWGESLSA-N 363.870 3.841 0 40 FHAB O=C(Nc1ccc(-c2ncco2)cc1)N[C@H](C[C@H]1CCCO1)C(F)(F)F 654025942 VMBVQEPYUCBRIV-ZIAGYGMSSA-N 369.343 3.963 0 40 FHAB O=C(Nc1ccc(-c2ncco2)cc1)N[C@@H](C[C@H]1CCCO1)C(F)(F)F 654025940 VMBVQEPYUCBRIV-KGLIPLIRSA-N 369.343 3.963 0 40 FHAB CN1C(=O)[C@@H]2C=CC=C[C@@H]2N=C1SCc1ccccc1Br 5525365 MRTQZNOBQLVUNR-OCCSQVGLSA-N 363.280 3.621 0 40 FHAB CSc1ccc(CN2CCC[C@@]3(CNC(=O)c4ccccc4O3)C2)cc1 12086797 ZKWDGGSAXVAMNG-OAQYLSRUSA-N 368.502 3.566 0 40 FHAB COc1ccccc1CNc1ncc(-c2cnccn2)c(-c2ccco2)n1 12184647 LCHKDGZGZACDNZ-UHFFFAOYSA-N 359.389 3.814 0 40 FHAB CCC[C@H](NC(=O)c1cnc(C(C)(C)C)nc1)c1ccc2c(c1)OCCO2 12205464 QQPWILNHWIXSFJ-INIZCTEOSA-N 369.465 3.817 0 40 FHAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc2c(c1)OCO2 12616494 PNAVFWTULRBVNB-UHFFFAOYSA-N 354.337 3.781 0 40 FHAB Cc1ncc(C(=O)N2CCC(c3cc4c(C)cccc4cn3)CC2)c(C)n1 13227644 QGDHNGXBRQDTDJ-UHFFFAOYSA-N 360.461 3.970 0 40 FHAB FC(F)(F)c1cc(C2CCN(Cc3ccsc3)CC2)nc2ncnn12 13268347 MXZQLLMXKDZORL-UHFFFAOYSA-N 367.400 3.584 0 40 FHAB N=C1NC(=O)/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)S1 16400179 KKNBWYYEZHKDAJ-NTEUORMPSA-N 358.806 3.698 0 40 FHAB Cc1nc(C)c(CC(=O)N[C@H](Cc2ccsc2)c2ccccn2)s1 19560475 CUVQCNQSMPXZHU-MRXNPFEDSA-N 357.504 3.859 0 40 FHAB C[C@@H](NC(=O)COc1ccc(F)cc1)c1cccc(Br)c1 19935109 JXCLZDLVXHGSLJ-LLVKDONJSA-N 352.203 3.844 0 40 FHAB COc1cc(CNC(=O)/C=C/c2ccccc2Cl)cc(OC)c1OC 8361480 BHRUUHBLTREWNQ-CMDGGOBGSA-N 361.825 3.695 0 40 FHAB CCOC(=O)c1cc2cc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)ccc2s1 12410871 SLNGYHCROBSZCA-KGLIPLIRSA-N 373.430 3.684 0 40 FHAB O=C1N(CC2CCC2)c2ccccc2S(=O)(=O)N1Cc1ccc(F)cc1 1889035586 UXQHZJWNWAETFN-UHFFFAOYSA-N 374.437 3.757 0 40 FHAB CC(C)OC(=O)NC[C@H]1CCC2(CCN(CC3CCCCC3)CC2)CO1 2056225580 RYBSAZHIYWCNOO-LJQANCHMSA-N 366.546 3.963 0 40 FHAB COc1cccc(NC(=O)c2csc(NC(=O)c3ccccc3)n2)c1 8873084 FNIKTGPGWMKUMZ-UHFFFAOYSA-N 353.403 3.656 0 40 FHAB Cc1ccc(N2C[C@@H](CNC(=O)Nc3ccccc3Cl)CC2=O)cc1 9040506 NNRZRSAXCQRFOG-CQSZACIVSA-N 357.841 3.823 0 40 FHAB O=C(CCc1csc(NC(=O)c2ccccc2)n1)NCc1ccccc1 11835350 ISVXSCPZDGQOJB-UHFFFAOYSA-N 365.458 3.644 0 40 FHAB Sc1nnc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)n1-c1cccnc1 13691892 LJLKVBHKNCDUQF-UHFFFAOYSA-N 354.826 3.662 0 40 FHAB CCOc1cc2c(cc1OCC)[C@H](c1cccc(OC)c1OC)NCC2 20506938 RZDWAUYVPWTZRU-FQEVSTJZSA-N 357.450 3.736 0 40 FHAB biogenic Cc1ccc(C(=O)N[C@@H](Nc2ccccn2)C(Cl)(Cl)Cl)cc1 22608973 PLGBNSMPCMPSLD-CQSZACIVSA-N 358.656 3.928 0 40 FHAB Cc1ccc(OCC2CCN(C(=O)c3cccc4ccccc34)CC2)nn1 1775967789 DJTDYFIJCQANQY-UHFFFAOYSA-N 361.445 3.869 0 40 FHAB Cc1c(C(=O)N2CC(n3c(C)nc4ccccc43)C2)cnn1-c1ccccc1 1775973452 CMRFLKCLXZVGKR-UHFFFAOYSA-N 371.444 3.536 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)NCc1ccc([C@H](O)c2ccsc2)s1 207964856 QBPUUYJMXZXWRI-FZKQIMNGSA-N 373.499 3.975 0 40 FHAB CCOc1cc(C=O)ccc1OCCCSc1nnc(C(C)C)o1 8731631 YCQXAJCOUUVHTG-UHFFFAOYSA-N 350.440 3.965 0 40 FHAB CCOC(=O)/C=C/c1ccc(NC(=O)c2cc3c(C)nn(C)c3s2)cc1 10495637 QKMLFSFASXDQMJ-JXMROGBWSA-N 369.446 3.772 0 40 FHAB CCC[C@H]1CCCN(C(=O)Nc2ccccc2N2CCN(CC)CC2)C1 152401823 PLTFOJXWEBIUFQ-SFHVURJKSA-N 358.530 3.873 0 40 FHAB CCN(CC)C(=O)N1CCC[C@@H](C(=O)N[C@H](c2cccs2)C(C)C)C1 40088468 NDAJCUANFOLLRZ-WBVHZDCISA-N 365.543 3.735 0 40 FHAB CCCNC(=O)[C@@H](C)NC(=O)C1(c2cccc(Cl)c2)CCCCC1 40051016 LIIWQVNJHWXMOT-CQSZACIVSA-N 350.890 3.573 0 40 FHAB O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(-n2cccn2)nc1 40057871 SUZLXYQONCVDOW-RUDMXATFSA-N 369.222 3.682 0 40 FHAB Cc1cccnc1NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 40115883 DSXBWSBRQQGVBE-CQSZACIVSA-N 352.463 3.855 0 40 FHAB COc1c2c(cc3c1[C@@H](CC(=O)[C@H]1CC=C(C)CC1)N(C)CC3)OCO2 20111877 XPECFPNIEZESQR-GOEBONIOSA-N 357.450 3.659 0 40 FHAB biogenic Cc1ccc(C23C[C@H]4C[C@@H](CC(NC(=O)N5CCOCC5)(C4)C2)C3)cc1 101789017 YILBKZDAILDPKV-NFAVZRQZSA-N 354.494 3.627 0 40 FHAB Cc1ccc(NCN2C(=O)c3ccc(Br)cc3C2=O)cc1C 832250 VFSZJVXGQQDBKD-UHFFFAOYSA-N 359.223 3.732 0 40 FHAB COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1 867155 OVWURXPQQMTKHT-KRWDZBQOSA-N 371.824 3.615 0 40 FHAB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C 1225066 WZJCDMVXGVTWMP-LBPRGKRZSA-N 358.492 3.971 0 40 FHAB CC(C)C(=N)N[C@@H](NC(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl 3109673 RICNYAJJWJTAOJ-LBPRGKRZSA-N 371.095 3.989 0 40 FHAB Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCN(CC(F)(F)F)CC1 32893634 NXMCNVOAPAGKAQ-UHFFFAOYSA-N 371.790 3.517 0 40 FHAB COc1ccc2nc3sc(C(=O)N4CCC[C@H](C)C4)c(N)c3cc2c1 4848778 MMKNWTCYIUAXPB-NSHDSACASA-N 355.463 3.912 0 40 FHAB CCc1ccccc1NC(=S)N1[C@H]2CCC[C@@H]1CC(NC(=O)C1CC1)C2 4857379 QNTXXIYBZLAJEF-AYHJJNSGSA-N 371.550 3.858 0 40 FHAB C[C@]12CC[C@H]3[C@@H](CC=C4C=C(P(=O)(O)O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 4897279 XYAKCBSNXBLQKE-DYKIIFRCSA-N 352.411 3.982 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)COc2cccc(C(F)(F)F)c2)c1 6235907 MDHFTRMLPUKIBA-UHFFFAOYSA-N 367.323 3.818 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)c1ccccc1 7396129 CFKHCLQOGPKQPH-UHFFFAOYSA-N 359.809 3.793 0 40 FHAB O=C(CCc1cccc(F)c1)NCc1ccc(OC[C@@H]2CCCO2)cc1 32930241 RQMURTRGYFKBMC-FQEVSTJZSA-N 357.425 3.633 0 40 FHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(C)cc(C)c2)cc1 8413507 JCHMDMDDPOWCTO-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB COCc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 8499488 IHABGXBMSPBERA-UHFFFAOYSA-N 352.434 3.711 0 40 FHAB O=C(NCC(F)(F)F)Nc1ccc(N2CCCCC2)c2ccncc12 46907195 KATWRHMNVHWNBY-UHFFFAOYSA-N 352.360 3.909 0 40 FHAB CC[C@H]1CCc2c(sc3ncn4nc(-c5cc(C)nn5C)nc4c23)C1 2803623 UPAZPHNQZHHTLO-NSHDSACASA-N 352.467 3.563 0 40 FHAB C[C@H](NC(=O)CCCNC(=O)c1ccc(Cl)cc1)c1cccs1 17842215 WZRYGLFKNDDPQE-LBPRGKRZSA-N 350.871 3.789 0 40 FHAB CC(C)c1nnc(SCc2csc(-c3ncccn3)n2)n1C1CC1 53665543 QRMBKBYPLVKRAI-UHFFFAOYSA-N 358.496 3.942 0 40 FHAB Cc1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 790755 HOSGBPYCNONOHP-ZDUSSCGKSA-N 367.474 3.530 0 40 FHAB Cc1cccc(NC(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)c1 9960954 SJUHAHQTKVZAJX-UHFFFAOYSA-N 355.397 3.946 0 40 FHAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)OCC(=O)OC(C)C)sc2n1 22746287 QVSJGVFPXGEGEI-UHFFFAOYSA-N 372.446 3.812 0 40 FHAB COc1ccc(CN(C)C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1F 57606863 NVJAHMSWMQFSRE-NSHDSACASA-N 374.437 3.539 0 40 FHAB CC(C)C(=O)N1CCCC[C@H]1C(=O)N[C@H](C)c1ccc(OC(F)F)cc1 55176125 JAVOAZGEIUGUPV-CJNGLKHVSA-N 368.424 3.502 0 40 FHAB Cc1cc(C)c(Cn2ncn(-c3ccc(Br)cc3)c2=O)c(C)c1 1393922 URVWXIIMLNMLPL-UHFFFAOYSA-N 372.266 3.770 0 40 FHAB C[C@H](OC(=O)Cc1c(F)cccc1Cl)C(=O)N[C@H]1CCCC[C@@H]1C 105307396 DIYCRPYZHMSAGV-MKBNYLNASA-N 355.837 3.648 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@@H](C)NCc1cccc(Cn2cccn2)c1 56207914 AFRALTQMHVWBAB-GOSISDBHSA-N 362.477 3.665 0 40 FHAB CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@H](C)c1nnc(-c2cccs2)o1 107497332 MBGFXOQJLABIOG-RBSFLKMASA-N 374.510 3.725 0 40 FHAB CCc1ccc([C@@H](NC(=O)NCc2nncn2CC)c2cccs2)cc1 43891535 FPWJKESGAAUWCG-GOSISDBHSA-N 369.494 3.511 0 40 FHAB C[C@H](C(=O)Nc1cccc(F)c1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 35277659 FQHBPYBAAKXWNK-CVEARBPZSA-N 369.440 3.503 0 40 FHAB CCCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1OC 1744721 KSZRSZXIPDBFKO-WEVVVXLNSA-N 369.417 3.907 0 40 FHAB CC(C)(C)OC(=O)Nc1cnc(Cl)c(F)c1I 117799511 SUNNBUHVMCEXOV-UHFFFAOYSA-N 372.565 3.826 0 40 FHAB CCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccc(OC)cc1 20029955 QIOGNGHPGWNXDJ-LBPRGKRZSA-N 369.870 3.787 0 40 FHAB CCOc1ccc(C(=O)Nc2nonc2-c2ccc(OC)c(C)c2)cc1 27664357 ITMCIGBRQJZWPT-UHFFFAOYSA-N 353.378 3.705 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)COc3cc(C)ccc3Cl)ccc21 12779235 PWRFUNWKKZMVRI-UHFFFAOYSA-N 358.825 3.575 0 40 FHAB O=C(CCc1ccccc1O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 58202509 CVZATSBMGBJZJO-OAHLLOKOSA-N 358.869 3.621 0 40 FHAB COc1ccc(OCc2nnc3sc(-c4ccc(F)cc4)nn23)cc1 10312282 ATNJJNIUHQMRKX-UHFFFAOYSA-N 356.382 3.580 0 40 FHAB Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1 58377329 WKKRCJQGUDRAAK-CMDGGOBGSA-N 351.811 3.759 0 40 FHAB COc1ccc(OCC(=O)NCCc2csc(-c3ccccc3)n2)cc1 27993539 GWDLMJADHAPXQG-UHFFFAOYSA-N 368.458 3.556 0 40 FHAB Cc1nc2sc3c(N4CCCC4)ncnc3c2c2c1COC(C)(C)C2 2295980 XDBKWECGTVOFEB-UHFFFAOYSA-N 354.479 3.999 0 40 FHAB O=C(COC(=O)c1ccc(Cl)cc1N1CCCC1=O)c1ccccc1 10610455 YOZOJHXTKRMNGC-UHFFFAOYSA-N 357.793 3.507 0 40 FHAB CN1CCCc2cc(NC(=O)C(C)(C)c3ccc4c(c3)OCCO4)ccc21 58700856 HHXLXUCWJOJEMD-UHFFFAOYSA-N 366.461 3.757 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cccc(N(C)C)c1 10903417 HYTIIBQKKCKUDQ-UHFFFAOYSA-N 362.477 3.544 0 40 FHAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(OC(F)F)cc1 3432709 YMKJNVFGHLKYCL-UHFFFAOYSA-N 368.767 3.652 0 40 FHAB O=C(NC1CCCCCC1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 3431245 QPVMUXQXZJZENY-UHFFFAOYSA-N 353.466 3.576 0 40 FHAB CCOc1ccccc1CN1C(=O)N[C@](C)(c2ccccc2Cl)C1=O 3462897 JCUQFURUSJTMSO-LJQANCHMSA-N 358.825 3.706 0 40 FHAB O=C(COC(=O)c1ccc(Br)cc1)Nc1ccc(F)cc1F 3508750 XODXCPKTFIZMHV-UHFFFAOYSA-N 370.149 3.523 0 40 FHAB O=C(COc1ccccc1)NCCCCCc1nc(-c2cccs2)no1 13010524 XQFQFYQLDANQRZ-UHFFFAOYSA-N 371.462 3.706 0 40 FHAB COC(=O)C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1 8734954 PRKSVGRJKPMTHU-GOSISDBHSA-N 370.836 3.784 0 40 FHAB CCOC(=O)c1c(NC(=O)c2ccc(C(C)C)cc2)sc(C(N)=O)c1C 6047146 UIXZSISAUKKCAY-UHFFFAOYSA-N 374.462 3.708 0 40 FHAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccc(Cl)cc2F)c1C 5134693 NEDHPPJOLQHUCG-UHFFFAOYSA-N 357.790 3.595 0 40 FHAB Cc1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 5176053 FYGGYBZJHPTHTR-UHFFFAOYSA-N 360.479 3.523 0 40 FHAB CSc1ccc(-c2csc(NC(=O)COc3cc(C)on3)n2)cc1 14068825 ITJGWNRGTPOZKI-UHFFFAOYSA-N 361.448 3.846 0 40 FHAB CC(=O)Nc1ccc(NC(=O)COc2ccc(Cl)c3cccnc23)cc1 28047569 JASZOUOELUMVCW-UHFFFAOYSA-N 369.808 3.864 0 40 FHAB O=C(Cc1csc(N2CCCC2=O)n1)Nc1cccc2ccccc12 14160705 KYVWWMIRKIYNQB-UHFFFAOYSA-N 351.431 3.604 0 40 FHAB Cc1csc(=O)n1CCOC(=O)c1ccc(C2SCCS2)cc1 14111131 BBMUINSRXVCOCQ-UHFFFAOYSA-N 367.517 3.554 0 40 FHAB COc1cc2c(cc1OC)[C@H](C)N(CC(=O)Nc1ccccc1Cl)CC2 5425609 FTCPJDXTLZIZKZ-ZDUSSCGKSA-N 374.868 3.915 0 40 FHAB CSc1nc(NCCCN(C)C)c2sc3c(c2n1)COC(C)(C)C3 6662059 UUHVCBXEPNZLKY-UHFFFAOYSA-N 366.556 3.628 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)c1nc(-c2ccccc2)oc1C 9114413 SJUKLPBRHFDMSO-UHFFFAOYSA-N 365.389 3.869 0 40 FHAB O=S(=O)(N=c1c2c([nH]c3ccccc13)CCCC2)c1ccc(F)c(F)c1 5881843 OLOPIPXJVAUJBY-UHFFFAOYSA-N 374.412 3.615 0 40 FHAB CN(C(=O)CSc1nnc2c(Cl)cc(Cl)cn12)c1ccccc1 5937526 OKFSSICUTBLRFB-UHFFFAOYSA-N 367.261 3.791 0 40 FHAB Cc1ccc(Nc2nc(N3CCC(C)CC3)nc3c2cnn3C)cc1C 9212218 FXKGZGRZWBYOCE-UHFFFAOYSA-N 350.470 3.960 0 40 FHAB COc1cc2[nH]nnc2cc1C(=O)Nc1ccc(OC2CCCC2)cc1 96012319 NDXSPKGJGGIKDK-UHFFFAOYSA-N 352.394 3.540 0 40 FHAB O=C(CN1CCC(C(=O)Nc2ccccc2)CC1)Nc1cccc(Cl)c1 8004170 WNFMIUWMLXSXNS-UHFFFAOYSA-N 371.868 3.629 0 40 FHAB COc1cccc(CNC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)c1 16600551 LJWSVFGPIOVKPP-UHFFFAOYSA-N 373.815 3.912 0 40 FHAB CCn1c(SCC(=O)N2CC[C@H]3CCCC[C@@H]3C2)nnc1-c1ccco1 8159760 ORZFRHLONJLVPF-HUUCEWRRSA-N 374.510 3.689 0 40 FHAB COc1ccc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1Cl 20491654 PNXUINWCDZOQRT-MRXNPFEDSA-N 351.855 3.705 0 40 FHAB CSc1nc(=O)c2c(n1C)N=C(O)C[C@@H]2c1ccc(Cl)cc1Cl 17014543 NOUBLEZMJYHZGQ-SECBINFHSA-N 370.261 3.933 0 40 FHAB CCN(C)C[C@H]1CCN(c2nc3c(Cl)c(C)nn3c3ccccc23)C1 72302152 XXEDLHIRKOECIU-CQSZACIVSA-N 357.889 3.622 0 40 FHAB COc1ccc(/C=C/C(=O)NCCC(=O)Nc2ccc(C)cc2Cl)cc1 9836363 LSJMAUWGYWMLMO-UXBLZVDNSA-N 372.852 3.815 0 40 FHAB O=C(Nc1nc(-c2ccco2)cs1)[C@@H]1CC(=O)N(C2CCCCCC2)C1 78606411 LVKZAQGJCRVXMI-CYBMUJFWSA-N 373.478 3.913 0 40 FHAB COc1cc(CN[C@H]2CCCCC[C@H]2CO)ccc1OCC(F)(F)F 95410527 HAACALIOSSHJNM-GJZGRUSLSA-N 361.404 3.667 0 40 FHAB CCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1OC 65002546 RGELVJLNQOODCU-UHFFFAOYSA-N 356.447 3.938 0 40 FHAB COCCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)C1=O 409125039 IUNFNBOSQSEUMA-GZTJUZNOSA-N 371.414 3.832 0 40 FHAB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)c(O)c(C)c3)C2=O)cc1 34240708 PNIITCAYMSIOIS-MHWRWJLKSA-N 350.374 3.824 0 40 FHAB COC(=O)c1cc(NC(=O)COc2cccc(Cl)c2)ccc1Cl 31056208 AEXLOXPZZMMIKD-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB CCOC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1Cl 38756666 HLQZOMFDMOEJMA-UHFFFAOYSA-N 363.797 3.786 0 40 FHAB O=C(O)CC[C@H]1CCCN(C(=O)Nc2ccc3c(c2)C(=O)CCCC3)C1 1574692075 LLJDERZOSRCZDY-CQSZACIVSA-N 358.438 3.704 0 40 FHAB Cc1cccc(-n2cnc3nc(N4CCC(C)CC4)nc(O)c3c2=S)c1 40385717 OAJDUGLMBXNLTG-UHFFFAOYSA-N 367.478 3.795 0 40 FHAB CCOc1ccc(C(=O)NCCCc2nc(-c3ccc(F)cc3)no2)cc1 41155492 YSTLWZDIUGQPKQ-UHFFFAOYSA-N 369.396 3.637 0 40 FHAB CCCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCc1ccccc1OC 222754889 CJMBKLXWPOWSTI-QGZVFWFLSA-N 368.477 3.529 0 40 FHAB O=C(NCCc1ccccc1)c1cn(-c2cccc(C(F)(F)F)c2)cn1 226752783 KGDYZUBLWTZQPG-UHFFFAOYSA-N 359.351 3.864 0 40 FHAB CC(=O)Nc1ccc(Cn2cnc(C(=O)Nc3cc(C)cc(C)c3)c2)cc1 49422035 HQBUBZDCLJBDNK-UHFFFAOYSA-N 362.433 3.759 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(CC)cc1 223540018 HHDJPOWGSAXOJC-GOSISDBHSA-N 366.505 3.735 0 40 FHAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccc(F)cc1 224286164 SKFYCGQKSOXCAW-HNNXBMFYSA-N 353.393 3.941 0 40 FHAB Cc1cc(C)c2c(=O)ccn(CC(=O)N[C@H](C)c3ccc(F)cc3)c2c1 225758217 BLIFQMDUYQNJSJ-OAHLLOKOSA-N 352.409 3.635 0 40 FHAB O=C(O)c1cccc(-c2nc(CN3CCOC[C@@H](C4CCC4)C3)cs2)c1 583636121 JPXYHNCQPTWNDL-KRWDZBQOSA-N 372.490 3.757 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 243761345 QBZDNBUBFSRGOB-HNNXBMFYSA-N 370.836 3.843 0 40 FHAB O=C(O)c1ccccc1-c1ccc(CN2CC[C@@H](Cc3cnccn3)C2)cc1 257236232 HBHMOQFKVWVNAW-SFHVURJKSA-N 373.456 3.906 0 40 FHAB Cc1ccc(NC(=O)CCCn2cc(COc3ccccc3)nn2)cc1 252483144 DVYZSTYYYIVPQH-UHFFFAOYSA-N 350.422 3.584 0 40 FHAB CC1(C)CC[C@H](CNC(=O)N=c2ccn(CC(F)F)[nH]2)c2ccccc21 539869917 RLTCADAZONOFLO-CYBMUJFWSA-N 362.424 3.547 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H](Cc2cc(-c3nccs3)ncn2)C1 257238585 HLRNNRDXRQLAPF-CYBMUJFWSA-N 360.483 3.790 0 40 FHAB Cc1cnccc1CN1CCC(c2ccnc(Nc3cnccn3)c2)CC1 257317838 VLJWACSPBVYNEZ-UHFFFAOYSA-N 360.465 3.698 0 40 FHAB C[C@@H](COCc1ccccc1)CN1CCc2cc(CCC(=O)O)ccc2C1 1776433945 UWPZVIFGGKBPCW-GOSISDBHSA-N 367.489 3.915 0 40 FHAB O=C(CN1CCO[C@@H]2CCCC[C@@H]21)Nc1ccc(OC(F)F)c(Cl)c1 51994193 QNRRULINPPGIQI-DZGCQCFKSA-N 374.815 3.523 0 40 FHAB O=C(CCC(=O)c1ccccc1)NCC1(c2cccc(F)c2)CCOCC1 55451099 FCMFGVAQLGVXMG-UHFFFAOYSA-N 369.436 3.653 0 40 FHAB CC(C)NC(=O)CSCc1csc(COc2ccc(F)cc2)n1 56245957 JIERCXINRQRABL-UHFFFAOYSA-N 354.472 3.619 0 40 FHAB Cc1ccc(CN2CCC(Oc3ncc(Br)cn3)CC2)s1 1204033360 UPHPMMLFPQXFBF-UHFFFAOYSA-N 368.300 3.652 0 40 FHAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc(N2CCCC2)cc1 12073362 LNTFGYYDDMASAV-UHFFFAOYSA-N 352.434 3.629 0 40 FHAB NC(=O)CCn1c(SCCCc2ccccc2)nnc1-c1cccs1 12804911 RZJRTTUENNBHOH-UHFFFAOYSA-N 372.519 3.607 0 40 FHAB Cc1cc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc2n1 12937219 KMOXNHISFAWTLR-DDUZABMNSA-N 354.450 3.783 0 40 FHAB Cc1ccc(SCCNC(=S)Nc2ccc3c(c2)OCCO3)cc1 17452213 RBDHSVRVNBOZGQ-UHFFFAOYSA-N 360.504 3.845 0 40 FHAB C[C@@H](NC(=O)CN(C)Cc1ccccn1)c1cc2cc(Cl)ccc2o1 19458551 CVDQBUDISPZUQO-CYBMUJFWSA-N 357.841 3.790 0 40 FHAB Cc1csc([C@@H]2COCCN2C(=O)c2cccc(C(F)F)c2F)n1 529078258 FDIFTXTZZYSFEW-LBPRGKRZSA-N 356.369 3.742 0 40 FHAB Cc1nccc(N2CCC[C@H](c3nnc(-c4ccccc4F)s3)C2)n1 1888901039 NZVFOYJBBZITJM-ZDUSSCGKSA-N 355.442 3.827 0 40 FHAB FC(F)(F)c1cccnc1N1C[C@H]2CN(c3nc4ccccc4o3)C[C@@H]2C1 1888914071 VGKPFQLIXHRBMI-STQMWFEESA-N 374.366 3.814 0 40 FHAB COc1cc(NC(=O)c2ccc(Br)s2)cc(OC)c1OC 15574236 SUDQOVUBUFKGKA-UHFFFAOYSA-N 372.240 3.789 0 40 FHAB Cc1nc(CN2CCC(COc3nc(C4CC4)nc(C)c3C)CC2)co1 2086968293 YHSMAIMEQYKAMC-UHFFFAOYSA-N 356.470 3.558 0 40 FHAB COc1cccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)c1OC 4479380 GUAMPKXPVNQABF-UHFFFAOYSA-N 359.769 3.660 0 40 FHAB Cc1cccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)n1 5269411 YPNMGVPBZOMOTB-UHFFFAOYSA-N 353.809 3.506 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCc1cc(-c2cccs2)on1 11025853 IYGFVFCTIXZWOV-UHFFFAOYSA-N 365.414 3.692 0 40 FHAB COC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(Br)cc2)s1 6468038 QWTZCRLKHKAPHE-VIFPVBQESA-N 368.252 3.788 0 40 FHAB CCCn1nc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)ccc1=O 21530901 XNTILVAPBYTWCM-UHFFFAOYSA-N 374.400 3.714 0 40 FHAB COc1ccc(/C=C/C(=O)N2CCCC[C@@H]2c2cccnc2)cc1OC 1321659 VRKHXRURLWDXPX-SXAWMYDMSA-N 352.434 3.866 0 40 FHAB biogenic CC[C@H](C(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1ccccc1 40047321 WLEVUCCJJYBEIV-FQEVSTJZSA-N 356.510 3.821 0 40 FHAB CN(C)[C@@H](CNC(=O)CCOc1cccc(Cl)c1)c1ccsc1 40090291 NZGDYWUKZGMXLK-INIZCTEOSA-N 352.887 3.590 0 40 FHAB COc1ccc(Cl)cc1CN[C@H](CN1CCCC1=O)c1ccccc1 40153253 WWGWJZIQDFLSHH-GOSISDBHSA-N 358.869 3.802 0 40 FHAB Cc1nc2cc(C(=O)NO[C@H]3CCCCO3)ccc2n1-c1ccccc1 60333056 YAXWRZASRFERCN-IBGZPJMESA-N 351.406 3.522 0 40 FHAB CCN1C(=O)[C@@H](C(=O)Nc2cccc(C)c2)[C@H]2C[C@]1(C)Oc1ccccc12 798160 ONJDWDQDFWVAMC-KPLVRAHFSA-N 364.445 3.694 0 40 FHAB CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2)CC1 1351445 YLBZQRDVIFZOKK-UHFFFAOYSA-N 371.437 3.589 0 40 FHAB COCc1ccc(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)cc1 32777698 PVRAJFOCSHWVHD-UHFFFAOYSA-N 358.401 3.819 0 40 FHAB CCCn1c(C)cc(C(=O)COC(=O)c2cn3c(C)cccc3n2)c1C 21464181 KBQHYFBXNKJSCT-UHFFFAOYSA-N 353.422 3.511 0 40 FHAB O=C(OCc1ccc(Cl)s1)[C@@H]1CCCCN1C(=O)c1ccco1 52389172 HVZVCEFEOXIICO-LBPRGKRZSA-N 353.827 3.733 0 40 FHAB Cc1cccnc1NC(=O)COC(=O)c1ccccc1Nc1ccccc1 6391722 SRKJRFHCZAJKQZ-UHFFFAOYSA-N 361.401 3.929 0 40 FHAB Cn1ccnc1[C@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(Cl)cc1 21600934 QSUMDFGICLKQHG-IUODEOHRSA-N 372.683 3.863 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCC[C@H]1c1cccn1C 9722086 ZHXBDYJLRCQEIP-KRWDZBQOSA-N 361.873 3.771 0 40 FHAB NC(=O)c1ccccc1NC(=O)CSCc1c(Cl)cccc1Cl 7094371 JLEBFEPEMADZKW-UHFFFAOYSA-N 369.273 3.964 0 40 FHAB Cc1cc(OCC(=O)OCC(=O)c2ccc3c(c2)OCO3)ccc1C(C)C 7239482 SRBOGXSSZSYDFN-UHFFFAOYSA-N 370.401 3.652 0 40 FHAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc(OC)cc2)CC1=O 7928223 XPNYONUVODUIKD-QGZVFWFLSA-N 366.461 3.812 0 40 FHAB CC(=O)N(C)c1nc(COc2ccc(C(=O)c3ccccc3)cc2)cs1 52888432 RURIFTAUBNLASY-UHFFFAOYSA-N 366.442 3.936 0 40 FHAB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)[C@H]1COCCO1 33160553 BOOXDOPBQRJPNS-MRVPVSSYSA-N 365.263 3.532 0 40 FHAB O=C(Cc1ccccc1F)Nc1nc2ccccc2nc1N1CCCC1 10913363 UVHJKXSOSFXQGS-UHFFFAOYSA-N 350.397 3.550 0 40 FHAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCc1ccncc1 8129309 JHDOICDLKXDXJE-UHFFFAOYSA-N 354.841 3.527 0 40 FHAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)Nc1ccc(C)cc1 8723798 SSMBEOUOUQPQQR-UHFFFAOYSA-N 361.829 3.759 0 40 FHAB Cc1cc(C)cc(C(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)c1 8959360 OSSUQXLSLSMCSV-UHFFFAOYSA-N 352.434 3.937 0 40 FHAB O=C(CCc1ccc(Cl)cc1Cl)N[C@H](CO)Cc1ccccc1 103338945 FCZFMYVYAGUVHA-INIZCTEOSA-N 352.261 3.646 0 40 FHAB CCOC(=O)c1cccc(NC(=O)Cc2cccc(Br)c2)c1 27520664 MWTMWONTVLMRBM-UHFFFAOYSA-N 362.223 3.807 0 40 FHAB CC[C@@H]1CCc2c(sc3ncn4nc(Cn5nc(C)cc5C)nc4c23)C1 2803804 MOVHEBJHCFAHGF-CYBMUJFWSA-N 366.494 3.716 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1csc(-c2ncccn2)n1 47196465 YQJSMQFMEPRUFK-UHFFFAOYSA-N 350.325 3.871 0 40 FHAB CNC(=O)c1c(NC(=O)COc2cccc(C)c2C)sc2c1CCCC2 907944 RTKJKXUPQACYPG-UHFFFAOYSA-N 372.490 3.621 0 40 FHAB O=C(c1ccc(Br)o1)N1CCC([C@@H](O)c2ccccc2)CC1 23384173 BRHZIDBDNUIUBU-INIZCTEOSA-N 364.239 3.628 0 40 FHAB COCCn1c(-c2ccc3c(c2)OCCO3)cs/c1=N/c1ccccc1 105756328 GOECSTIVPABBCT-QZQOTICOSA-N 368.458 3.867 0 40 FHAB O=C(CCCNC(=O)c1ccco1)Nc1cc(Cl)cc2cccnc12 24716043 HZWUPSSWTDPBOJ-UHFFFAOYSA-N 357.797 3.630 0 40 FHAB CCc1ccc(C(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)cc1 24835766 XDBMHWDYRQPKGL-UHFFFAOYSA-N 364.489 3.971 0 40 FHAB Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)c1ccncc1 55593006 DPWHZNFGRSALQL-GASCZTMLSA-N 351.450 3.760 0 40 FHAB Cc1ccc(NC(=O)CSCc2cccnc2)c(OC[C@@H]2CCCO2)c1 55654196 QFTQEDUCRKBGDB-KRWDZBQOSA-N 372.490 3.820 0 40 FHAB COc1cc(CCc2cc(O)n3ncc(-c4ccc(Cl)cc4)c3n2)on1 100776476 RWANNIGQXIMADZ-UHFFFAOYSA-N 370.796 3.537 0 40 FHAB CCc1nnc(NC(=O)c2cc(-c3ccc(OC(C)C)cc3)on2)s1 61997182 CDXZXNZWUOCIJR-UHFFFAOYSA-N 358.423 3.795 0 40 FHAB CSc1nccn1-c1cccc(C(=O)Nc2nnc(C(C)C)s2)c1 44368414 KFILJTNOAFAEPP-UHFFFAOYSA-N 359.480 3.821 0 40 FHAB CC[C@H](C)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)cc1 3274936 JQTOKJPXDHGWIM-ZDUSSCGKSA-N 355.390 3.724 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)c1C 9513517 KQYODSNUMFPCEH-UHFFFAOYSA-N 373.796 3.895 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)N2CCC(n3cccc3)CC2)c1 58210865 HXLBZGIIYHUBKP-OAHLLOKOSA-N 357.454 3.613 0 40 FHAB CCc1ccc([C@@](O)(CC)[C@H](CN2CCOCC2)c2ccccc2)cc1 20440952 YLDGIIMMCYOGNH-PKTZIBPZSA-N 353.506 3.963 0 40 FHAB Cc1c(C(=O)Nc2cccnc2-n2cncn2)sc2cccc(F)c12 58201539 YEKWXLOZLQWXLT-UHFFFAOYSA-N 353.382 3.577 0 40 FHAB NC(=O)c1cccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1 25457424 PHWMNLUZIWVMRG-UHFFFAOYSA-N 368.396 3.648 0 40 FHAB CCn1cc(C(=O)N2CCC[C@@H]2c2nnc3ccccn23)c2ccccc21 48230200 WHDLXLYUZKAITN-GOSISDBHSA-N 359.433 3.681 0 40 FHAB O=S(=O)(NCc1ccccc1COc1ccccc1)c1ccccc1F 10680938 HWZSTQGJOKSTMN-UHFFFAOYSA-N 371.433 3.883 0 40 FHAB COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1-n1cnnn1 36358920 WKVWIBLRDGZRCM-UHFFFAOYSA-N 371.400 3.590 0 40 FHAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)c1ccccc1F 2320438 RUGQNPCXNRDUEQ-UHFFFAOYSA-N 356.353 3.745 0 40 FHAB CC[C@@H](NC(=O)c1cc(S(C)(=O)=O)ccc1C)c1ccc(Cl)cc1 10918201 XIZLOIURFIUDKI-QGZVFWFLSA-N 365.882 3.933 0 40 FHAB O=C1c2ccccc2N[C@@H](c2cc3ccccc3[nH]c2=O)N1Cc1ccco1 28511765 PHPLQSAWRXRBOJ-HXUWFJFHSA-N 371.396 3.888 0 40 FHAB COc1cccc(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)c1 3318845 PZIRXMUAWSDESS-UHFFFAOYSA-N 366.417 3.681 0 40 FHAB Cc1nc2cc(NC(=O)COc3ccc(Br)cc3)ccc2o1 12747929 CLFIPCAMGLGPCB-UHFFFAOYSA-N 361.195 3.916 0 40 FHAB CC(C)c1nnc(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)s1 29023029 DSNPDTPMABKFCX-UHFFFAOYSA-N 367.434 3.561 0 40 FHAB CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC)cc2)nnc1-c1ccco1 12843488 FRVWWWRFUWHQAQ-LBPRGKRZSA-N 372.450 3.686 0 40 FHAB CCOC(=O)c1cnn(-c2nc3ccc(OC)cc3s2)c1C(F)(F)F 8715103 UPPOGOSKRXYPDW-UHFFFAOYSA-N 371.340 3.686 0 40 FHAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)NC[C@H](C)c1ccccc1 12975695 TWCGPMJGHAIBTA-UONOGXRCSA-N 370.522 3.891 0 40 FHAB COc1cc(NC(=O)c2cccc(OCc3cscn3)c2)cc(OC)c1 12924241 IPKCGQUHGVJGIN-UHFFFAOYSA-N 370.430 3.992 0 40 FHAB C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1cccc2ccccc12 8734212 MHCDHHXAKSKVQE-HNNXBMFYSA-N 371.440 3.886 0 40 FHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1cc2ccccc2o1 18203515 ZAFLRIKWWFYYJU-CYBMUJFWSA-N 357.431 3.636 0 40 FHAB Cc1ccc(CNC(=O)[C@H]2N3C(=O)c4ccccc4[C@H]3SC2(C)C)cc1 4073987 GIVOGTIXRXJOTD-YLJYHZDGSA-N 366.486 3.660 0 40 FHAB biogenic Cc1cc(OS(=O)(=O)c2cc(C)c(C)cc2C)n(-c2ccccc2)n1 5054988 GDDWXIZLNUNVID-UHFFFAOYSA-N 356.447 3.874 0 40 FHAB CC(C)c1nc2oc3c(NC[C@H]4CCCO4)ncnc3c2c2c1CCC2 4295069 GJOBKGBBUCBQCA-GFCCVEGCSA-N 352.438 3.974 0 40 FHAB C[C@@H](Sc1nncn1-c1ccccc1F)C(=O)NCCC1=CCCCC1 6129250 NWTJJKCHKLETTI-CQSZACIVSA-N 374.485 3.894 0 40 FHAB O=C(OCCOc1ccc(Br)cc1)c1n[nH]c2ccccc12 6370740 AKLQPGKQMWIFBZ-UHFFFAOYSA-N 361.195 3.561 0 40 FHAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccc[nH]c3=O)cccc2c1=O 65474417 JPIZOPAJHZDFJZ-UHFFFAOYSA-N 372.380 3.709 0 40 FHAB O=C(Nc1ccccc1Cl)N[C@@H](Cc1ccccc1)[C@H](O)C(F)F 65588768 VXAWKGXTMHXMHI-GJZGRUSLSA-N 354.784 3.699 0 40 FHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Nc1cccc(C)c1 14185361 PWSUVJHCVGOKKE-UHFFFAOYSA-N 370.840 3.939 0 40 FHAB CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)CC(C)(C)C 5425797 CTCQVJSZXHVACP-UHFFFAOYSA-N 361.442 3.539 0 40 FHAB Cc1nc(-c2ccccc2C)n(CN(C)C[C@@H]2OCCc3ccccc32)n1 66079166 WTEHUZGGYKVSDO-NRFANRHFSA-N 362.477 3.765 0 40 FHAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(C(F)(F)F)cc1 6664121 ZVNSMXFTSIAKLK-AWEZNQCLSA-N 354.328 3.692 0 40 FHAB COc1ccc([C@H]2C[C@H](c3ccc(C)cc3)N(C(C)=O)c3ncnn32)cc1 4816750 LGNNQWROJCAUIB-WOJBJXKFSA-N 362.433 3.682 0 40 FHAB O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1CN1CCOCC1 19998010 SBGMBMKVUXHESB-UHFFFAOYSA-N 354.837 3.681 0 40 FHAB COC(=O)CCc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2F)o1 7404164 IJMQSCNDOKRDQE-VMPITWQZSA-N 351.761 3.830 0 40 FHAB Cc1cc(OCC(=O)Nc2ccnn2Cc2cccs2)ccc1Cl 7793970 PGRIWAWDJARWCS-UHFFFAOYSA-N 361.854 3.972 0 40 FHAB O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1csnn1 9250861 NAZKNBZLBDMTAC-UHFFFAOYSA-N 369.884 3.588 0 40 FHAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(CC(C)C)c3ccccc32)c(C)c1 68713186 PIOJHEDFKKBRFU-QFIPXVFZSA-N 351.446 3.767 0 40 FHAB CSc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 8049363 MXVAADZSNGWLIB-UHFFFAOYSA-N 360.504 3.961 0 40 FHAB COc1cc(OC)c(NC(=O)CSc2nc(C)c(C)o2)cc1Cl 8298466 KDAVLVFMMBDIGF-UHFFFAOYSA-N 356.831 3.693 0 40 FHAB Cc1cc(C)c(C(=O)CSc2n[nH]c(=O)n2Cc2ccccc2)cc1C 8491105 KBDBLENSKULKNQ-UHFFFAOYSA-N 367.474 3.520 0 40 FHAB CCOc1ccc(Nc2nnc(Cc3ccccc3Cl)c(O)n2)cc1 9669152 UEDDQGCUCHWKCK-UHFFFAOYSA-N 356.813 3.964 0 40 FHAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2c[nH]c3ccccc23)n2ncnc2N1 9592545 BFEAPOOZFBHPCJ-LJQANCHMSA-N 370.416 3.687 0 40 FHAB Cc1cc(NS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)ccc1N(C)C 72312877 IXBWQYUHRINVFI-UHFFFAOYSA-N 374.293 3.751 0 40 FHAB O=C(O)c1ccc(F)c(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c1 84341009 XSLUNGLKCIESGZ-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB CCN(CCC1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1)CC1CC1 95457401 GGWLSLBBDLOVJQ-UHFFFAOYSA-N 373.497 3.781 0 40 FHAB CC(C)Cn1nc(CC(=O)Nc2ccc3cc[nH]c3c2)c2ccccc2c1=O 95479531 DUNDGONCPRBPEC-UHFFFAOYSA-N 374.444 3.715 0 40 FHAB CN(CCCNC(=O)c1cccc(Br)c1)Cc1ccccc1 9982104 CYOAKAJZFCMXHY-UHFFFAOYSA-N 361.283 3.701 0 40 FHAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)CCn1c(=O)oc2cccnc21 89424445 LFGQCECFYSJBPM-NSHDSACASA-N 366.248 3.989 0 40 FHAB Cc1nn(CCC(=O)N[C@H]2[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c(C)c1C 409412862 UNYRHBODQVLFGT-UGESXGAOSA-N 351.494 3.897 0 40 FHAB COc1cccc(C(=O)NCc2ccc(-c3nc4cnccc4o3)cc2)c1 32093245 QQJFHYUUYUOIRQ-UHFFFAOYSA-N 359.385 3.828 0 40 FHAB O=C(O)[C@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 218474437 OIQJDMWYERKYRS-ZNMIVQPWSA-N 371.241 3.634 0 40 FHAB O=C(CNC(=O)c1cccc(OC(F)F)c1)Nc1cccc2c1CCCC2 32901704 XECRHRGVEBKDDT-UHFFFAOYSA-N 374.387 3.535 0 40 FHAB COCCCNc1ncnc2c1sc1nc(N3CCCC3)cc(C)c12 71280653 NJFGBMYDSHWYPD-UHFFFAOYSA-N 357.483 3.597 0 40 FHAB Cc1sc2ncc(C(=O)Nc3ccc(Cl)cc3Cl)c(=O)n2c1C 183408496 QYOWBZJUJIRRRU-UHFFFAOYSA-N 368.245 3.932 0 40 FHAB Cc1cccc(Nc2cccc([C@H]3CCCN3C(=O)C3CCOCC3)n2)n1 72380441 RUDFVSPPEHFYGL-GOSISDBHSA-N 366.465 3.619 0 40 FHAB CC(C)(Br)C(=O)Nc1ccc(OCCCN2CCCC2)cc1 225594851 QYMMNGSVQBMVFX-UHFFFAOYSA-N 369.303 3.663 0 40 FHAB O=C(C[C@H]1CCC[C@@H](C(=O)O)C1)c1ccccc1I 43879475 OJNTYLZIAALATF-WDEREUQCSA-N 372.202 3.755 0 40 FHAB Cc1noc([C@@H]2CCCN(Cc3c(C(=O)O)sc4ccccc34)C2)n1 565106914 ZRQJOJFRHUYYAU-GFCCVEGCSA-N 357.435 3.671 0 40 FHAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(F)c2)cc1C(C)C 223740831 CIPGCBUXBBZNPZ-UHFFFAOYSA-N 351.443 3.778 0 40 FHAB O=C(CCc1cccc(Cl)c1)N1CC[C@@H](N2CCc3ccccc3C2)C1 225685769 GSJMRYBKXOAKIN-OAQYLSRUSA-N 368.908 3.932 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)cc1 222984882 LEWBWYBBSMFODN-UHFFFAOYSA-N 371.462 3.893 0 40 FHAB CCOc1ccc(C(=O)NCCCN2CCCC[C@@H]2CC)cc1OCC 225063919 RSTHJPPXVXRGFJ-SFHVURJKSA-N 362.514 3.868 0 40 FHAB COc1cc2c(cc1S(=O)(=O)N[C@@H](C)c1ccc(F)cc1)CCCC2 225862123 QELDUXZPMBFZCF-ZDUSSCGKSA-N 363.454 3.753 0 40 FHAB Cc1csc2nc(CN[C@@H](C)C34CC5CC(CC(C5)C3)C4)cc(=O)n12 40161486 GWKLUHOBNIAGAF-IVKJLDKCSA-N 357.523 3.759 0 40 FHAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(N2CCOCC2)cc1 225005262 HLZRKNXJRNUNTM-FQEVSTJZSA-N 368.477 3.936 0 40 FHAB CC(C)(C)c1ccc(-c2noc(CNC(=O)Cc3cccs3)n2)cc1 222992296 FSFROVVAIRXJHN-UHFFFAOYSA-N 355.463 3.955 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc3sncc3c2)cc1Cl 222979279 GJLRNCXORYRFHW-UHFFFAOYSA-N 354.840 3.759 0 40 FHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)[C@@H](C)N1CCO[C@@H](c2ccc(F)cc2)C1 195528576 PNKNKOHTAWTGAW-KMJHBWPFSA-N 362.489 3.528 0 40 FHAB COc1cccc(-c2nc(C)c(C(=O)Nc3n[nH]c(CC(C)C)n3)s2)c1 95480895 IJTWKOMAPURPBO-UHFFFAOYSA-N 371.466 3.696 0 40 FHAB Cc1cc(C)cc(CN2Cc3cncn3[C@@H](COCC3CCOCC3)C2)c1 247913033 LQFZEOCZDTZSJS-JOCHJYFZSA-N 369.509 3.500 0 40 FHAB O=C(c1cc(Br)cs1)N1CCC(Oc2ccncc2)CC1 245039139 OHFMLUULAPDGEC-UHFFFAOYSA-N 367.268 3.589 0 40 FHAB Cc1cnc(C(=O)N2CCC[C@@H](Cc3ccc4cnccc4c3)CC2)cn1 257281102 ONPPGEODBWOGIE-QGZVFWFLSA-N 360.461 3.818 0 40 FHAB Cc1cc(-c2ncc(C)s2)nc([C@@H]2CCCN(C(=O)C(C)(C)C)C2)n1 257200547 ADTDQMQLWCVMMU-CQSZACIVSA-N 358.511 3.969 0 40 FHAB CC(C)c1cc(C(=O)N2CCC[C@H]2c2cncc(CN(C)C)n2)cs1 257237145 HFILWLIAARGSPK-KRWDZBQOSA-N 358.511 3.700 0 40 FHAB CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2)CC1 257251532 JRDPLIJOZOLNLR-JTAQYXEDSA-N 365.521 3.850 0 40 FHAB COC(C)(C)C(=O)N1CCC[C@@H](c2ccnc(Nc3cccc(C)n3)c2)C1 257225632 FHBWYFOYMZKCMO-QGZVFWFLSA-N 368.481 3.660 0 40 FHAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3cnco3)o2)c1 257315217 VAKQFRVXANSISC-QGZVFWFLSA-N 367.405 3.629 0 40 FHAB Cc1cnc([C@@H]2CCCN(C(=O)CCc3nc4ccccc4[nH]3)C2)s1 257275097 NNWRKXRPKAMLLI-CQSZACIVSA-N 354.479 3.667 0 40 FHAB COc1ccc2c(c1)OC[C@H](NC(=O)N1CCC[C@H]1c1ccsc1)C2 678116634 IPNIQYWLJZSXJF-WBVHZDCISA-N 358.463 3.607 0 40 FHAB CC1(C)CCC[C@@H](C(=O)NC[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCF)C1 1775989839 BMJCWXQBCIGLFR-ZJPYXAASSA-N 366.521 3.838 0 40 FHAB O=C(c1cccc(C(F)(F)F)c1)N1CC(N2CCc3ccccc3C2)C1 390828783 UHNBDODAZVSNGJ-UHFFFAOYSA-N 360.379 3.588 0 40 FHAB O=C(c1cccc(Cl)c1)N1CC2(C[C@H](Oc3cccnc3)CS2)C1 585104042 FTQQZAWSTKAEKT-INIZCTEOSA-N 360.866 3.514 0 40 FHAB FC(F)(F)c1cc(N2CC[C@@H]3[C@H](C2)CN3CC2CCCCC2)ncn1 585107926 FWTAMBMLVMHZNM-HUUCEWRRSA-N 354.420 3.586 0 40 FHAB COc1ccc(OCc2coc(-c3ccccc3Cl)n2)c(C(N)=O)c1 51969197 IMQVRWHXRTVEGO-UHFFFAOYSA-N 358.781 3.682 0 40 FHAB C[C@@H](OC[C@H]1CCCCO1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 58418615 XHVNMFZFUJMEHZ-NVXWUHKLSA-N 372.465 3.508 0 40 FHAB CCO[C@H]1C[C@H](NC(=O)Nc2cccc(-n3cc(C(F)(F)F)cn3)c2)C1 952885671 UWUCRHLNTUGKTR-CTYIDZIISA-N 368.359 3.580 0 40 FHAB Cc1cccc(NCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)c1 5124797 UHQCIFDZMKKGBW-RQZCQDPDSA-N 368.414 3.830 0 40 FHAB CCOC(=O)C[C@H]1C[C@H]2c3cc(OC)c(OC)cc3CCN2C[C@H]1CC 5410484 YHIDMIJOSAPVSE-KYJSFNMBSA-N 361.482 3.602 0 40 FHAB Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccc(Cl)cn3)n2)cc1 5867763 ALHKDUCQGXZNMJ-LLVKDONJSA-N 373.869 3.948 0 40 FHAB COc1ccc(CC(=O)N2CCC[C@@H](c3cc4ncccc4[nH]3)C2)cc1F 19559559 QSGSCBZYIDXPOT-OAHLLOKOSA-N 367.424 3.659 0 40 FHAB Clc1ccc(N2NN[n+]3cc(Br)c4ccccc4c32)cc1 2556075 TXCCXCAMKPXWNL-UHFFFAOYSA-N 362.638 3.658 0 40 FHAB Cc1ccc(OCCC(=O)OCC(=O)N[C@H]2CCCc3ccccc32)cc1 4985222 LHYCKGRKPMFGRP-FQEVSTJZSA-N 367.445 3.501 0 40 FHAB CCN1Cc2ccccc2CC2(CCN(C(=O)c3ccccc3)CC2)C1=O 2056225616 TYIWEMHZQOHFDP-UHFFFAOYSA-N 362.473 3.514 0 40 FHAB CCOc1ccc(CC(=O)N2CCN=C2SCc2ccccc2)cc1 4119834 JRDLGAYPNLVONM-UHFFFAOYSA-N 354.475 3.759 0 40 FHAB CC(C)(C)n1nc2c(c1NC(=O)c1ccc3ccccc3c1)C[S@](=O)C2 4106315 OAHMCHUOARDYDJ-AREMUKBSSA-N 367.474 3.806 0 40 FHAB O=C(c1ccc(Cl)s1)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575618182 TXZOLNZSLIDZQS-GFCCVEGCSA-N 373.865 3.589 0 40 FHAB CC(C)C(=O)Nc1ccc(-c2nc3ccccc3o2)c(OCC(=O)O)c1 20158106 ZTODJAWNEKLJRE-UHFFFAOYSA-N 354.362 3.553 0 40 FHAB Cc1nc2sc([C@H](c3ccccc3)N3C[C@H](C)C[C@@H](C)C3)c(O)n2n1 23156786 TWNXXGNDLYDOKC-IOASZLSFSA-N 356.495 3.872 0 40 FHAB Cc1ccc(-c2nnc(CCC(=O)N3CCC[C@@H]3c3ccncc3)o2)cc1 40050707 DNYKBYQLSWIXGS-GOSISDBHSA-N 362.433 3.736 0 40 FHAB CCCOc1ccc(-c2nc(NC(=O)COc3ccc(F)cc3)no2)cc1 32623315 DTKVYLPMXMEFMM-UHFFFAOYSA-N 371.368 3.682 0 40 FHAB C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1ncc(Cl)cc1Cl 2652193 AXTUALYULYOQEW-MRVPVSSYSA-N 368.249 3.550 0 40 FHAB CNC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 931884 BWSKLWCMYZPYEJ-UHFFFAOYSA-N 357.523 3.784 0 40 FHAB Cc1nc2ccc(C(=O)OCc3cc(Cl)c4c(c3)OCO4)cc2nc1C 32740883 PTWCVSMAKWTNJH-UHFFFAOYSA-N 370.792 3.986 0 40 FHAB S=C(NCCc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1 1327047 GGVDWYCQVHEISE-UHFFFAOYSA-N 364.518 3.860 0 40 FHAB Cc1c(C(=O)NCCc2ccc(C(F)(F)F)cc2)cnn1-c1ccccn1 32816081 GEPJCGUFUXVZGP-UHFFFAOYSA-N 374.366 3.567 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 32816891 SGVVMCXDGIKSBD-LBPRGKRZSA-N 372.350 3.878 0 40 FHAB COCc1ccc(CNC(=O)c2cc(F)cc(Br)c2)cc1 32930066 XVBLSBINDDGKHV-UHFFFAOYSA-N 352.203 3.665 0 40 FHAB CCOc1ccc(NC(=S)NC[C@@H](c2ccccc2OC)N(C)C)cc1 6334187 DZJPGNQGOMBEMU-SFHVURJKSA-N 373.522 3.683 0 40 FHAB Cc1ccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1 6415374 VQPGLYPBRWGDJB-UHFFFAOYSA-N 353.447 3.694 0 40 FHAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3cccc(C)c3)CC2=O)cc1 6880992 SEPAOSKXLZXJCH-INIZCTEOSA-N 352.434 3.775 0 40 FHAB CSc1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1 7745863 IHCDBYWKKBDWGE-UHFFFAOYSA-N 358.282 3.972 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 7882167 FYLNXISBCYRFML-DZGCQCFKSA-N 372.852 3.897 0 40 FHAB CCN(CC(=O)Nc1ccccc1OC)C(=O)c1oc2ccccc2c1C 7968057 CAMTUPBGRLEARD-UHFFFAOYSA-N 366.417 3.851 0 40 FHAB Cc1cc(C)c(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c(C)c1 8040868 PIEVSZZWQQLBLJ-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c(Br)c1 8368303 RTXVXYQTBYRJMD-ZDUSSCGKSA-N 373.250 3.749 0 40 FHAB Cc1ccccc1-c1nc(-c2ccccc2OCC(=O)NC(C)C)no1 33325190 HOCUMQOJEWOKIR-UHFFFAOYSA-N 351.406 3.615 0 40 FHAB O=C(Cn1cnc2c(sc3ccccc32)c1=O)Nc1ccc(F)cc1F 17201098 RJHUJYVEINGXSI-UHFFFAOYSA-N 371.368 3.528 0 40 FHAB c1ccc(-n2cc(CNC[C@@H](c3ccco3)N3CCCCC3)cn2)cc1 61555299 WCINNOWVUNXBEU-FQEVSTJZSA-N 350.466 3.782 0 40 FHAB CC(=O)NCc1ccc(-c2csc(NC(=O)[C@H]3C[C@H]4CC[C@H]3C4)n2)cc1 104802534 CCJXMTMUVUWPNK-XIRDDKMYSA-N 369.490 3.821 0 40 FHAB O=C(CCC(=O)N1CCc2sccc2C1)Nc1cccc2cnccc12 54849997 UXFAJYQGBFXKBQ-UHFFFAOYSA-N 365.458 3.600 0 40 FHAB CSc1nc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)cc2s1 59478025 ZUZVWPHCLDXJAK-GHMZBOCLSA-N 350.465 3.848 0 40 FHAB Cc1ccc(C(=O)Nc2cccc(NC(=O)CCc3cc(O)no3)c2)cc1 55054650 OKUXZLOOMGUZQH-UHFFFAOYSA-N 365.389 3.512 0 40 FHAB COC(=O)COc1cccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1 24948798 GMNZEWKWGXYCKI-UHFFFAOYSA-N 368.216 3.726 0 40 FHAB O=C(c1cnn2c(-c3ccccc3)ccnc12)N1CCc2ccccc2C1 34786254 MBKLHRFCSHWGFI-UHFFFAOYSA-N 354.413 3.595 0 40 FHAB CCCCCc1c(C)[nH]c2[nH]n(-c3nc4ccccc4s3)c(=O)c2c1=O 10152734 PAXPGCAOFQNSRX-UHFFFAOYSA-N 368.462 3.658 0 40 FHAB CC(=O)Nc1cccc(C(=O)OCC(=O)c2cccc(C(F)(F)F)c2)c1 10586301 NPZXPHKKAAQJFU-UHFFFAOYSA-N 365.307 3.704 0 40 FHAB COC(=O)CCCCCCNC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 57752854 FTJLPQANCVGJJW-CHWSQXEVSA-N 352.397 3.530 0 40 FHAB CC(C)=C[C@H]1[C@H](C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1(C)C 27025793 LNGULHBELAXTMF-DLBZAZTESA-N 353.466 3.661 0 40 FHAB COCCCNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2 1933560 CUGOPORZVAQTDK-UHFFFAOYSA-N 372.490 3.646 0 40 FHAB COc1cccc(-n2nnc(C(=O)Nc3ccc4[nH]c(C)cc4c3)c2C)c1 25129512 BYWDMCWPKLTTBE-UHFFFAOYSA-N 361.405 3.626 0 40 FHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(OC)c(OC)c1 21307569 YYLRXENGXAFBAD-GOSISDBHSA-N 357.450 3.794 0 40 FHAB O=C(NCc1cc2cc(F)ccc2s1)c1c[nH]c2ccccc2c1=O 58435734 DWYKMIKVBCJJJQ-UHFFFAOYSA-N 352.390 3.812 0 40 FHAB COc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)c(OC)c1OC 12828489 MJDMHKHLQVONLF-UHFFFAOYSA-N 362.451 3.690 0 40 FHAB COc1ccc(/C=C/C(=O)Oc2ccc(Br)cc2C=O)cc1 11692840 OZLLFNXFGKRHAL-RUDMXATFSA-N 361.191 3.889 0 40 FHAB CC(C)(C)c1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1 12939696 KHWGNAUISFDQKC-SFHVURJKSA-N 372.534 3.849 0 40 FHAB O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1ccccc1F 12926881 OPPHTFYSARKBCT-UHFFFAOYSA-N 370.424 3.938 0 40 FHAB CC(=O)Nc1ccc(/C=C2\CCn3c2nc2ccc(Cl)cc2c3=O)cc1 12985939 LJJOBSBYWXDXIR-GXDHUFHOSA-N 365.820 3.953 0 40 FHAB COc1ccc(NC(C)(C)c2nnnn2-c2cc(Cl)ccc2C)cc1 4042552 ZXFRSGISCGNMHQ-UHFFFAOYSA-N 357.845 3.980 0 40 FHAB Cn1c(-n2cc(-c3cnn(Cc4ccccc4)c3)cn2)nc2ccccc21 49592583 QZKDWBCVWCDZHM-UHFFFAOYSA-N 354.417 3.671 0 40 FHAB CCCOc1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C(C)C)cc1 6073295 SPGOCVIMUAHYKV-INIZCTEOSA-N 361.467 3.970 0 40 FHAB COc1ccccc1C1(CNc2ncc(C(N)=O)cc2Cl)CCCC1 64915895 SDCDDRSOCXFJEK-UHFFFAOYSA-N 359.857 3.766 0 40 FHAB Cc1cc(C(=O)CSc2nnc3ccccn23)c(C)n1-c1nccs1 6115216 CHPRIJMLZIQCNT-UHFFFAOYSA-N 369.475 3.568 0 40 FHAB O=C(COc1ccccc1Cl)N1CCC[C@H]1c1ccc2c(c1)OCCO2 14110814 UELQFTMPROXFDH-INIZCTEOSA-N 373.836 3.854 0 40 FHAB Cc1cc(=O)oc2cc(OCC(=O)N3CCc4sccc4[C@H]3C)ccc12 14202113 SZGBTIOOBOTPOH-CYBMUJFWSA-N 369.442 3.688 0 40 FHAB CC[C@@H](C(=O)Nc1cc(C)on1)N1CCC(c2nc3ccccc3o2)CC1 8920068 GJTQXPXZMPOTMW-INIZCTEOSA-N 368.437 3.721 0 40 FHAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cc(F)cc(F)c1 4742016 NIRMOOGCRRKFJN-QGZVFWFLSA-N 355.344 3.776 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c1 5608972 KTSIAFHHYPMBPC-SFHVURJKSA-N 369.417 3.592 0 40 FHAB CCc1ccc2nc(NC3=NCN(Cc4ccc(C)cc4)CN3)nc(C)c2c1 19320600 OZTGUWKNAZMSBB-UHFFFAOYSA-N 374.492 3.597 0 40 FHAB Cc1cc(O)c2c(C)c(CC(=O)Nc3cccc4ncccc34)c(=O)oc2c1 9476644 BTBXKZXKHYKJDF-UHFFFAOYSA-N 374.396 3.845 0 40 FHAB COC(=O)c1cccc(NC(=O)c2ccccc2OCc2cscn2)c1 9417218 UYVJYQMLSODOPT-UHFFFAOYSA-N 368.414 3.761 0 40 FHAB CCOC(=O)c1sc2nc([C@@H](C)Nc3ccc(C)cc3)[nH]c(=O)c2c1C 7002553 ZZJMIJZZEPUTIZ-GFCCVEGCSA-N 371.462 3.951 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c1 7050203 MTSNAVYIBHPTSQ-INIZCTEOSA-N 355.463 3.529 0 40 FHAB Cc1ccc(N2CC(=O)N(c3ccc(C)cc3)[C@H](c3cccnc3)C2=O)cc1 15413337 BKCQJCUPONMPQE-JOCHJYFZSA-N 371.440 3.820 0 40 FHAB CCCn1c(SCc2csc(Nc3ccc(C)cc3)n2)n[nH]c1=O 7191751 LCQIJNDOWBTXSK-UHFFFAOYSA-N 361.496 3.782 0 40 FHAB CSc1ccc(C(=O)CCC(=O)N2CCN(c3ccccc3)CC2)cc1 8203500 XKSBZDAEVNYDNC-UHFFFAOYSA-N 368.502 3.720 0 40 FHAB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)c1ccncc1 8288178 SMEFWHYQEGLJLG-UHFFFAOYSA-N 359.378 3.969 0 40 FHAB O=C(CCOc1ccccc1F)N1CCC([C@@H](O)c2ccccc2)CC1 71869676 JDJBFFZRKXBYKJ-NRFANRHFSA-N 357.425 3.567 0 40 FHAB Cc1ccc(CNC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 9711053 QFTCVNRXHXQZLR-HXUWFJFHSA-N 354.450 3.963 0 40 FHAB CCCOc1ccc(CNC(=O)c2cn[nH]c2-c2cccc(OC)c2)cc1 72329213 QDBMDEPQHWVWPP-UHFFFAOYSA-N 365.433 3.804 0 40 FHAB CN1CCC2(CCCN2C(=O)c2ccnc(Oc3ccccc3)c2)CC1 95454234 NJYRJTLEYXJAHF-UHFFFAOYSA-N 351.450 3.574 0 40 FHAB C[C@@H]1CCC[C@H](OCC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 75106037 ASHCZBLTJLUGOC-UKAVVXHISA-N 358.526 3.751 0 40 FHAB CCCCn1c(S(=O)(=O)Cc2ccc(OC(F)F)cc2)nc(C)c1C 63869743 WFAYNFJFEILKON-UHFFFAOYSA-N 372.437 3.875 0 40 FHAB CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 30756062 PXUPJUQFOFTKON-UHFFFAOYSA-N 366.870 3.669 0 40 FHAB COc1ccc(S(=O)(=O)N(C)Cc2ccccc2Cl)cc1Cl 30319977 KMHVXOMEBSGDCE-UHFFFAOYSA-N 360.262 3.823 0 40 FHAB COc1ccc(CCNC(=O)Nc2nnc(-c3cccc(Cl)c3)o2)cc1 70655593 JVUYZIUCEFHBRJ-UHFFFAOYSA-N 372.812 3.763 0 40 FHAB COc1ccc(-c2nnc3sc([C@@H]4CCOC(C)(C)C4)nn23)cc1OC 36358672 HMIQEPYQMWVVHM-GFCCVEGCSA-N 374.466 3.543 0 40 FHAB O=C(c1cc[nH]n1)N1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 72349777 ZPWLCYSSBREMLD-OAHLLOKOSA-N 350.397 3.631 0 40 FHAB Cc1ccc(C(=O)N2CCC(c3nccnc3Oc3ccccc3)CC2)cn1 72362688 GUCOZMHUQCDTRI-UHFFFAOYSA-N 374.444 3.992 0 40 FHAB COCCN1C(=O)c2n[nH]c(-c3ccco3)c2[C@@H]1c1ccc(C(C)C)cc1 35170104 KBTLMJPRTNCTQQ-FQEVSTJZSA-N 365.433 3.985 0 40 FHAB CC1CCN(c2cc(NC(=O)c3ccccc3C(F)(F)F)ncn2)CC1 75166340 VVPKGTGSXCJUPA-UHFFFAOYSA-N 364.371 3.984 0 40 FHAB COc1ccc(CCCNC(=O)c2ccc(Cn3ccnc3C)cc2)cc1 44907136 VCKZOCQYVQJXHS-UHFFFAOYSA-N 363.461 3.611 0 40 FHAB Cc1cccnc1NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 49549532 BFSNOVUQELTTQG-UHFFFAOYSA-N 361.380 3.758 0 40 FHAB CCOC(=O)c1ccc(NC(=S)NCCc2ccc(OC)cc2)c(C)c1 225315622 HCMYPFXUMBJTDG-UHFFFAOYSA-N 372.490 3.709 0 40 FHAB Cc1noc(C)c1[C@H]1CC(=O)Nc2c1cnn2Cc1ccc(Cl)cc1 49544344 FAKSMSLVUYWACI-AWEZNQCLSA-N 356.813 3.664 0 40 FHAB CN(C)C(=O)c1ccc(NC(=S)NC2(c3ccccn3)CCCC2)cc1 225871503 NLXHQNKBEQGKDU-UHFFFAOYSA-N 368.506 3.539 0 40 FHAB CC[C@@H](CN(CC)CC)OC(=O)C(O)(c1ccccc1)c1ccccc1 3633998 RASGLRQARDJDSK-FQEVSTJZSA-N 355.478 3.586 0 40 FHAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)cc1O 40267072 MZQXEIARXQXZBY-AWEZNQCLSA-N 353.353 3.849 0 40 FHAB O=C(NCc1ccccc1Sc1ccccc1)NCC1CCNCC1 574861692 XMIWOHRKJYFJRS-UHFFFAOYSA-N 355.507 3.637 0 40 FHAB CCCCC(=O)Nc1cccc(OCc2cc(=O)n3cc(C)sc3n2)c1 41077403 AIWKQJCXOWGPGW-UHFFFAOYSA-N 371.462 3.772 0 40 FHAB Cc1cc(S(=O)(=O)NCCSCc2ccccc2C)ccc1F 225602807 ACVSCSZJGAWXLI-UHFFFAOYSA-N 353.484 3.654 0 40 FHAB C[C@@H]1Cc2cc(Br)ccc2N1S(=O)(=O)c1ccc(F)cc1 222987810 STRVWVIIJDCQKP-SNVBAGLBSA-N 370.243 3.728 0 40 FHAB COc1cccc(NC(=O)COc2cc(C)nc3c(OC)cccc23)c1 227149173 VNMBPMAPQDWKIU-UHFFFAOYSA-N 352.390 3.578 0 40 FHAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1 225065487 SYBIXMUHPWIOAZ-IBGZPJMESA-N 366.505 3.524 0 40 FHAB c1csc(CN2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)c1 96038265 XKWPTTPUYDAGMQ-UHFFFAOYSA-N 367.522 3.771 0 40 FHAB CCN1C(=O)C[C@H](c2ccccc2)C12CCN(Cc1nccs1)CC2 96199675 PMSPKLQXIGTWTD-QGZVFWFLSA-N 355.507 3.514 0 40 FHAB Cc1cccc(Nc2cc(C)nc(C3CCN(Cc4ncc[nH]4)CC3)c2)n1 257246426 IUBLWIZFHYCVLQ-UHFFFAOYSA-N 362.481 3.940 0 40 FHAB CC(C)n1cc(-c2nccnc2[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cn1 257272510 NCQTYVMHBCPVLI-OAHLLOKOSA-N 355.486 3.673 0 40 FHAB Cc1cccc(Nc2cccc(C3CCN(C(=O)c4cccnc4)CC3)n2)n1 257292382 QLFIGMZKICXRBY-UHFFFAOYSA-N 373.460 3.943 0 40 FHAB Cc1nc(-c2cc(F)ccc2C(=O)O)cc([C@H]2CCCN(C(C)C)C2)n1 257252452 JUVBWMYLPJHEFJ-AWEZNQCLSA-N 357.429 3.877 0 40 FHAB O=S(=O)(c1ccccc1F)N(CCc1cccs1)Cc1ccoc1 90612384 CFYXLHIDCMISCT-UHFFFAOYSA-N 365.451 3.914 0 40 FHAB CO[C@H](C(=O)Nc1ccc(F)cc1Nc1ccccc1F)[C@H]1CCOC1 613419223 KLSRXARUSWIZDR-SGTLLEGYSA-N 362.376 3.698 0 40 FHAB COc1ccc2c(N[C@@H](C)c3ccc4nc(O)[nH]c4c3)ncnc2c1F 619621451 JCBPOOKCSLGEBJ-VIFPVBQESA-N 353.357 3.533 0 40 FHAB C[C@H]1CN(c2ccc(NC(=O)C3(c4ccccc4)CCC3)cc2)CCO1 76445408 RMCSSOSAKLTFLA-KRWDZBQOSA-N 350.462 3.972 0 40 FHAB O=[S@](CCOC1CCCCCC1)Cc1csc(-c2ncccn2)n1 77651959 NWOIGALYSXWSJF-DEOSSOPVSA-N 365.524 3.588 0 40 FHAB C[C@H](OC(=O)c1nc(Cl)ccc1Cl)C(=O)N[C@H]1CCCC[C@H]1C 36419446 FKHDQJUUJLDAQN-SCVCMEIPSA-N 359.253 3.629 0 40 FHAB COc1ccccc1CNC(=O)/C=C/c1ccc(OC(F)F)c(OC)c1 3254437 QKWKBOXYNNXACN-CSKARUKUSA-N 363.360 3.635 0 40 FHAB CSc1nnc(CNC(=O)Nc2ccccc2C(F)(F)F)n1C(C)C 5001679 SNHSBVGZMXJGSG-UHFFFAOYSA-N 373.404 3.921 0 40 FHAB COC(=O)c1ccc2nc(NC(=O)CSc3ccccc3)sc2c1 5192222 PVNNTVVMMIXYKR-UHFFFAOYSA-N 358.444 3.814 0 40 FHAB Cc1cc(C)c2cc(CNc3ccc(N4CCOCC4)cc3)c(=O)[nH]c2c1 12088266 ZGZCITNDFGHWSD-UHFFFAOYSA-N 363.461 3.594 0 40 FHAB Cc1ccc(-c2nc(CNC(=O)c3cc(O)nc4c(C)cccc34)no2)cc1 12195231 IZLYMSURHWCART-UHFFFAOYSA-N 374.400 3.537 0 40 FHAB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1OC 13096120 FRKQPWQDSVMHBF-ZDUSSCGKSA-N 362.857 3.816 0 40 FHAB Cc1cccc(NC(=O)c2nnc3c(-c4ccccc4)c(C)nn3c2C)c1 13635580 CDWQDGTYAPZDRB-UHFFFAOYSA-N 357.417 3.969 0 40 FHAB Nc1nc(N2CCCCC2)nc2nc3c(c(-c4ccccc4)c12)C(=O)CCC3 13637499 IFVROAPDVLISFQ-UHFFFAOYSA-N 373.460 3.783 0 40 FHAB Cc1ccccc1C(=O)NC1CCN(C(=O)Nc2ccc(F)cc2)CC1 15936031 OCHDKASAWZVGFU-UHFFFAOYSA-N 355.413 3.560 0 40 FHAB COCCOc1ccc(CN2CCC[C@@H](c3cc4ncccc4[nH]3)C2)cc1 19593698 IPAVJOFGQBODKJ-GOSISDBHSA-N 365.477 3.968 0 40 FHAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)[C@@H]3CCCO3)c2)cc1 19691352 VBEYWFIVBYMFCK-RTWAWAEBSA-N 366.461 3.908 0 40 FHAB CCc1cc(OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)ccc1Cl 11295148 OBJSFKYOJGHXAJ-UHFFFAOYSA-N 372.852 3.812 0 40 FHAB Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)c(C)c1C 16975863 QUFBUVNPILKOCT-UHFFFAOYSA-N 372.490 3.914 0 40 FHAB CSc1ccccc1NC(=O)C(=O)NCc1ccc(-c2ccoc2)o1 575609726 FRSYZYNFJQQDIM-UHFFFAOYSA-N 356.403 3.516 0 40 FHAB COc1ccccc1-c1cc(C(=O)NCc2ccc(-c3ccoc3)nc2)n[nH]1 575616109 JGOAFWWVDPDJFE-UHFFFAOYSA-N 374.400 3.670 0 40 FHAB O=C1Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)c3cccc1c23 828932 KPZUOQSQNFQYND-UHFFFAOYSA-N 358.806 3.860 0 40 FHAB C[C@H](NC(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2)c1ccc(F)cc1 40151597 RVLDLYDJZMIHMC-WMLDXEAASA-N 371.460 3.751 0 40 FHAB Cc1nc(NC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)sc1C 50291566 GJGFBIHMYRIVCI-UHFFFAOYSA-N 364.492 3.729 0 40 FHAB CCC(CC)C(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3C)C2)s1 20581508 CBASDAXHZLAJMK-CQSZACIVSA-N 372.494 3.742 0 40 FHAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)OC[C@H]5CNC(=O)C5)(C4)C2)C3)cc1 101884572 DMCPWWICULRTSU-WYHNVWNDSA-N 367.489 3.512 0 40 FHAB CCCOc1ccc(-c2nc(NC(=O)COc3ccccc3C)no2)cc1 32623640 LIZZOEWCONZGIR-UHFFFAOYSA-N 367.405 3.851 0 40 FHAB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)cc1 41014461 IHQGCUDUARQWOJ-CQSZACIVSA-N 368.433 3.862 0 40 FHAB CC(=O)Nc1c(C)cccc1C(=O)O[C@@H](C)C(=O)NCCC1=CCCCC1 11812165 UIRRQZNOPWPFIW-HNNXBMFYSA-N 372.465 3.505 0 40 FHAB COc1cc(OC)cc(OC[C@@H](O)Cn2c(C(C)C)nc3ccccc32)c1 810197 KTKPUXPGODIMKX-HNNXBMFYSA-N 370.449 3.617 0 40 FHAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1 8133600 QPZZHALBBIPOCR-UHFFFAOYSA-N 366.461 3.939 0 40 FHAB CCNC(=S)N(Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O 933926 OFRVYVUCFCJKCX-UHFFFAOYSA-N 365.502 3.733 0 40 FHAB O=C(COC(=O)c1csc(-c2ccccc2)n1)NC1CCCCCC1 32741909 KTOIBORYOFDCQG-UHFFFAOYSA-N 358.463 3.806 0 40 FHAB Cc1onc(-c2ccccc2)c1C(=O)N1CCCN2C(=O)c3ccccc3[C@H]21 1048065 YAAMIRLNTFWVDY-HXUWFJFHSA-N 373.412 3.651 0 40 FHAB COc1cc(NC[C@](C)(O)CN(CC(C)C)C(C)C)c2ncccc2c1 1656135 PMFHVABLBBJDLO-NRFANRHFSA-N 359.514 3.773 0 40 FHAB CN(CC(=O)N1CCCC1)c1ncnc2cc(-c3ccc(F)cc3)sc12 32837549 KGJGVWIQISKQCX-UHFFFAOYSA-N 370.453 3.556 0 40 FHAB Cc1ccccc1CN1CCN(C(=O)c2cccc3c2O[C@@H](C)[C@H]3C)CC1 32820186 BLZYUBLYNKUZEK-MSOLQXFVSA-N 364.489 3.837 0 40 FHAB COc1ccc2c(c1)CCN2C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 60550626 XVNYPMRVYVBLQU-VQTJNVASSA-N 370.424 3.827 0 40 FHAB CCCC(=O)N1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(OC)cc1OC 4064797 JIMJQWPAOQTXPM-YYWHXJBOSA-N 361.482 3.699 0 40 FHAB biogenic CSc1sc(-c2ccccc2)c2[nH]c(=O)c(-c3ccccc3)n[n+]12 4135754 GVVWPTCEDORDDC-UHFFFAOYSA-O 352.464 3.626 0 40 FHAB CC(C)Cn1nc(C(=O)Nc2ccc3c(c2)CCC3)c2ccccc2c1=O 7063147 CITCQHRDDZKFEO-UHFFFAOYSA-N 361.445 3.794 0 40 FHAB COc1cc(CN(C)C(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)ccc1OC(F)F 103352911 PZGNJQMNGDPKFL-FPMFFAJLSA-N 370.465 3.792 0 40 FHAB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2cccs2)cc1F 56044465 UHFUFZNKKLWJPK-OAHLLOKOSA-N 362.451 3.520 0 40 FHAB O=C(Nc1nc(-c2ccco2)cs1)c1cnn(Cc2ccccc2)c1 47171634 SWZJHLBGYABNRN-UHFFFAOYSA-N 350.403 3.900 0 40 FHAB CC(=O)Nc1cccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)c1 22866305 OSICXQXTHBDWCE-UHFFFAOYSA-N 351.406 3.957 0 40 FHAB COc1ccccc1[C@@H]1Nc2ccccc2-c2nnc(SC)nc2O1 822537 LWJRMROLSNLEOW-MRXNPFEDSA-N 352.419 3.772 0 40 FHAB COc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(N)cc2)c1 860038 CXHSCKCZAJURKN-UHFFFAOYSA-N 361.401 3.782 0 40 FHAB COc1cccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)c1 934653 SHWAUDDMVZQDNT-LLVKDONJSA-N 350.212 3.864 0 40 FHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Oc1ccc(C)cc1 28189569 IGPYYIOYMPIUPI-AWEZNQCLSA-N 371.462 3.923 0 40 FHAB Cc1onc(-c2ccc(F)cc2)c1C(=O)OCC(=O)N1CCCCCCC1 47747456 BXCJQELLHOZOJJ-UHFFFAOYSA-N 374.412 3.739 0 40 FHAB Cc1ccc(OCC(=O)N2CCCC[C@H]2CCN2CCCCC2)cc1C 21170549 KGKHXIUGGJNXHP-FQEVSTJZSA-N 358.526 3.939 0 40 FHAB Cc1cc(C)n(-c2ccc(NC(=O)CCCOc3ccccc3)cn2)n1 24571779 LKXPCQPCMKOVFD-UHFFFAOYSA-N 350.422 3.682 0 40 FHAB O=C(NCCN(Cc1ccsc1)Cc1ccccn1)c1cccs1 57797306 BVDKRUSVQCEPRV-UHFFFAOYSA-N 357.504 3.637 0 40 FHAB CC(C)c1ccccc1NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O 51319635 LZFFFGOMIMGBER-UHFFFAOYSA-N 365.408 3.812 0 40 FHAB O=C1/C(=C/NCCCO)c2ccccc2N1c1c(Cl)cccc1Cl 101135085 MUGAEORKVAGNRN-ACCUITESSA-N 363.244 3.985 0 40 FHAB C[C@H](SCc1ccccc1)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 44342831 DXYSCNWHIHWYDT-HOTGVXAUSA-N 366.490 3.766 0 40 FHAB CCOc1ncccc1C(=O)OCC(=O)Nc1c(C)cccc1C(C)C 3217124 TXGCFDKWOYFKJI-UHFFFAOYSA-N 356.422 3.708 0 40 FHAB Cc1ccccc1OC[C@H](C)NC(=O)C1(c2ccccc2)CCOCC1 56324989 SVQYCXRHUBZTIY-SFHVURJKSA-N 353.462 3.627 0 40 FHAB CN1CCC[C@H](C(=O)Nc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)C1 76060836 QCCZNVOXSWCMMP-AWEZNQCLSA-N 352.413 3.649 0 40 FHAB CC(=O)Nc1nc2ccc(NC(=O)CSCc3ccccn3)cc2s1 58213836 YPDULBUYZHCKSY-UHFFFAOYSA-N 372.475 3.522 0 40 FHAB CN(C)[C@@H](CNC(=O)c1cccc(Oc2cnccn2)c1)C1CCCCC1 76564866 IDLTZXGMOYIGJG-IBGZPJMESA-N 368.481 3.509 0 40 FHAB COc1ccccc1NC(=O)NCCc1coc(-c2ccc(F)cc2)n1 58323131 UYPUDZHBGSUFGI-UHFFFAOYSA-N 355.369 3.854 0 40 FHAB COc1cc(NC(=O)NCCc2coc(-c3ccccc3)n2)cc(OC)c1 58306660 DRITZOUDCKEYCU-UHFFFAOYSA-N 367.405 3.723 0 40 FHAB O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccc(F)c(F)c1F 3349856 YQRHHUQLDBTLGW-UHFFFAOYSA-N 364.352 3.620 0 40 FHAB CCSc1nc2sc3c(c2c2n[nH]c(=S)n12)CC(C)(C)OC3 2334154 AQGRVORNFVGSFC-UHFFFAOYSA-N 352.510 3.965 0 40 FHAB COc1ccc(-c2nnc3sc(COc4ccc(C)cc4)nn23)cc1 2429866 PBIFTXWRTCIGBS-UHFFFAOYSA-N 352.419 3.749 0 40 FHAB COc1cc(NC(=O)[C@H]2C[C@@H]2C)c(OC)cc1NC(=O)c1ccccc1 11651813 QCDNDIVORCSDKH-JSGCOSHPSA-N 354.406 3.551 0 40 FHAB CCOc1cc2c(cc1N[C@H](C)C(=O)NCc1cccs1)O[C@@H](C)C2 12807702 QSWWQDHSSBCMKO-QWHCGFSZSA-N 360.479 3.587 0 40 FHAB CC(C)(Oc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 12941453 HMALRHVUFNTZPW-UHFFFAOYSA-N 356.397 3.514 0 40 FHAB COc1cc(CCC(=O)N[C@H]2CCCc3ccccc32)cc(OC)c1OC 3608539 SWBSKSGQXDHQOK-SFHVURJKSA-N 369.461 3.839 0 40 FHAB C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 112018734 YQBUSPLEFGPSKA-KRWDZBQOSA-N 358.441 3.962 0 40 FHAB COCc1ccccc1NC(=O)c1cc(C)n(-c2ccc(OC)cc2)n1 92292162 ZLCIKAUPZXIBDN-UHFFFAOYSA-N 351.406 3.588 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnnn1-c1ccccc1 5035440 LIQXYUHTGQGLDG-CYBMUJFWSA-N 363.446 3.816 0 40 FHAB COc1ccc(-c2noc(COC(=O)CCC(=O)c3cccs3)n2)cc1 8447662 FQXMEXSHSBDKFN-UHFFFAOYSA-N 372.402 3.513 0 40 FHAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccc(C)cc1C 5100828 SHPOFEQTGDCPEI-UHFFFAOYSA-N 365.437 3.816 0 40 FHAB Cc1ccccc1Cn1c(CCNC(=O)c2ccco2)nc2ccccc21 4386804 YIWBXZRVVDPSOM-UHFFFAOYSA-N 359.429 3.959 0 40 FHAB C[C@@H]1CN(Cc2nc(-c3cc(Br)cs3)no2)CC(C)(C)O1 65281429 AJGJOXSKLKHZED-SECBINFHSA-N 372.288 3.560 0 40 FHAB C[C@H]1CCCN(CCCCNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)C1 65474291 UVWAGJFXUKECPU-INIZCTEOSA-N 372.538 3.777 0 40 FHAB Cc1cc(=O)oc2cc(NC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)ccc12 14241727 JYFOIUZWZJNONT-KRWDZBQOSA-N 355.777 3.697 0 40 FHAB COc1cc(NC(=O)c2cc3ccc(OC)cc3nc2C)cc(OC)c1 14249403 GLFSOFXDCVATFR-UHFFFAOYSA-N 352.390 3.821 0 40 FHAB CC(=O)Nc1cc(S(=O)(=O)N(C)c2ccc(Cl)cc2)ccc1Cl 5495520 QHIYNQZVRIMWHD-UHFFFAOYSA-N 373.261 3.777 0 40 FHAB C[C@H](CC(=O)NCCc1ccc(Cl)cc1)CC(=O)N1CCCCCC1 4715820 XHAKKQAFXNZBFG-MRXNPFEDSA-N 364.917 3.818 0 40 FHAB Cc1cc(C(F)(F)F)nn1CC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 6787375 HYJVOUMWNWIBJL-IHWZXDPASA-N 369.431 3.931 0 40 FHAB Cn1ccc2c1CN(Cc1cccnc1)Cc1cn(-c3ccccc3)nc1-2 306136894 QGEJAJCTXZWDTE-UHFFFAOYSA-N 355.445 3.789 0 40 FHAB CCCNC(=O)c1ccc(Oc2nccnc2N2CCC(C)CC2)cc1 67324035 ONQCUONFHTUSHW-UHFFFAOYSA-N 354.454 3.645 0 40 FHAB COc1ccc(-n2nnnc2SCc2cc(-c3ccccc3)on2)cc1 7152532 CFQOCDNQLPWBBU-UHFFFAOYSA-N 365.418 3.618 0 40 FHAB COc1cc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc(OC)c1 18944885 MDWWAUOHSCDSMK-UHFFFAOYSA-N 367.405 3.634 0 40 FHAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2c(C)cc(C)cc2C)c1 7506891 VUZGVGYOFPNYAL-CMDGGOBGSA-N 353.418 3.816 0 40 FHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(Br)cc1 7696752 VVANTDUIPWWFHU-UHFFFAOYSA-N 370.250 3.907 0 40 FHAB Cc1cc(OCC(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)ccc1Cl 7698924 VHHIFBBYCCMBCA-AWEZNQCLSA-N 373.836 3.548 0 40 FHAB COc1ccccc1C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 19819257 BWEASTHSSIIKDH-UHFFFAOYSA-N 373.412 3.545 0 40 FHAB CC(C)[C@H](NCC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1 9689679 WRQNQQHVPDZXIK-NRFANRHFSA-N 365.477 3.504 0 40 FHAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 84525455 SUHRNQJESGUAHW-GUDVDZBRSA-N 364.445 3.860 0 40 FHAB O=C(NC1CC1)c1cccc(OCc2ccc(OC[C@@H]3CCCO3)cc2)c1 95454305 SUAQYHHPJAQECP-NRFANRHFSA-N 367.445 3.716 0 40 FHAB COc1cc(C)ccc1CN[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 95454577 LZCAHYULHGVFOL-LEWJYISDSA-N 374.912 3.819 0 40 FHAB COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(Cl)cc1 85413195 QZPOPJBODCSBFP-RHSMWYFYSA-N 356.761 3.512 0 40 FHAB Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2c(C)cccc2C)S(C)(=O)=O)c1 409382242 QIJBMHYFOVLNID-KRWDZBQOSA-N 374.506 3.713 0 40 FHAB Cc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc2c(c1)OCCO2 21596193 WNQBMQABQOHEHP-UHFFFAOYSA-N 362.838 3.546 0 40 FHAB CCCCc1c(C)nc(Nc2nc(C)c3cc(CC)ccc3n2)[nH]c1=O 20634042 VNRNXHOSNYQXIM-UHFFFAOYSA-N 351.454 3.979 0 40 FHAB COc1cc(C=C(Br)Br)cc(OC)c1OC 65336699 NOFFVIYIDXNYNT-UHFFFAOYSA-N 352.022 3.801 0 40 FHAB Cc1cccc(CNC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)c1 408708244 WHMPJUJGZRJOMS-UHFFFAOYSA-N 372.468 3.560 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)COc2cc(C)cc(C)c2C)cc1 218967778 XRZVYANVSWJXPS-MRXNPFEDSA-N 357.450 3.583 0 40 FHAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)NC[C@@H]1CCN(C2CC2)C1 514458255 GRLHZIICBCDRDW-SFHVURJKSA-N 371.569 3.927 0 40 FHAB Cc1n[nH]c(C)c1CCc1nc(-c2cc(Cl)c3c(c2)OCCCO3)no1 563778386 ONKRMXQJWVFRQN-UHFFFAOYSA-N 374.828 3.676 0 40 FHAB COc1ccc(CNC(=O)Cn2ccc3ccc(Cl)cc32)cc1OC 32093714 QOHHABHLHUOEMY-UHFFFAOYSA-N 358.825 3.628 0 40 FHAB Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(Cc3ccccn3)C2)n1 72345973 JMKFNPRLBRGUFB-MRXNPFEDSA-N 363.440 3.640 0 40 FHAB Cc1cccnc1NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 48227223 HTZMLBWAVZVVOV-LJQANCHMSA-N 373.412 3.585 0 40 FHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 225094131 OAVHOMXDUKPEPI-RTBURBONSA-N 366.505 3.870 0 40 FHAB COc1cc(/C=C/C(=O)NCCCN2CCC[C@@H](C)C2)ccc1OC(C)C 40108081 ANBTXLIBMLDORQ-SXAWMYDMSA-N 374.525 3.734 0 40 FHAB CCSc1nnc(NC(=O)CCSc2nc3ccccc3o2)s1 80338717 QAOJHVMVGGQLMU-UHFFFAOYSA-N 366.493 3.912 0 40 FHAB COc1ccc(SCC(=O)NCCOc2ccccc2Cl)cc1 224338273 YHEIANCPCJTHJF-UHFFFAOYSA-N 351.855 3.636 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cnc(Cc3ccccc3)nc2C)c1 225794255 RTGOIGVFTTWNDW-UHFFFAOYSA-N 363.417 3.645 0 40 FHAB Cc1ccc(CNC(=O)[C@H](C)N(Cc2ccccc2)C(=O)C(C)C)cc1 222757292 BELCNKFRXWCVLM-SFHVURJKSA-N 352.478 3.685 0 40 FHAB Cc1ccc(C)c(NC(=O)CCNC(=O)c2ccc3[nH]c(Cl)nc3c2)c1 225979643 KPOSUUPPPMZYLQ-UHFFFAOYSA-N 370.840 3.592 0 40 FHAB CC[C@H](NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1)c1ccc(C)cc1 222462468 LHGDKFUNSHRWQA-SFHVURJKSA-N 374.506 3.580 0 40 FHAB COc1cccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)CCC(=O)O)c1 85344980 WSPLNLXCFUBDFI-LJQANCHMSA-N 366.417 3.546 0 40 FHAB CCc1ccc(N([C@H](C)C(=O)Nc2ccccc2CC)S(C)(=O)=O)cc1 220261800 HYBCUOUKIDJTEW-OAHLLOKOSA-N 374.506 3.605 0 40 FHAB COc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 44933107 WDVLMUIGDYQGME-FXAWDEMLSA-N 352.478 3.785 0 40 FHAB C[C@H](N[C@H]1CCC[C@@H]1C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 89551627 DEGFAKGDBQWPOS-DOXZYTNZSA-N 362.495 3.597 0 40 FHAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C(C)(C)C)c1 223047848 OIBYVXYAJPMSDP-MSOLQXFVSA-N 372.538 3.647 0 40 FHAB Cc1noc(C)c1CN1CCOC[C@@H]1c1csc(-c2ccccc2)n1 96220418 ZMJUEUCWIHNMKT-GOSISDBHSA-N 355.463 3.988 0 40 FHAB Cc1ccc(CN(CC(=O)O)C2CCN(c3cccc(F)c3)CC2)cc1 257213805 CJDPCRNUEINMOU-UHFFFAOYSA-N 356.441 3.690 0 40 FHAB Cc1ccc(Nc2nc([C@@H]3CCCN3Cc3ccnn3C)cs2)nc1 257314462 UXCCUTZTHICFSD-INIZCTEOSA-N 354.483 3.661 0 40 FHAB COc1ccc(NC(=O)c2cn(C)nc2C2CCOCC2)c2ccccc12 637614933 KPRQMWXLAAUVJP-UHFFFAOYSA-N 365.433 3.728 0 40 FHAB CC(C)(NC(=O)c1c(C(F)F)nc2cnccn12)c1ccc(Cl)cc1 1128853394 QVJGAOFXQLGPDE-UHFFFAOYSA-N 364.783 3.985 0 40 FHAB O=C(Nc1ccc(C2CCC2)cn1)N1CCC[C@](O)(C(F)(F)F)CC1 297112337 QNIUWEWGYNTNTQ-MRXNPFEDSA-N 357.376 3.660 0 40 FHAB FC(F)(F)c1cnc(N2CCCN(c3nccs3)CC2)c(Cl)c1 52721262 IBBSSOQYKAXOMB-UHFFFAOYSA-N 362.808 3.927 0 40 FHAB COc1ccc(OC)c(CN(C)C(=O)c2ccc3[nH]c(=S)oc3c2)c1 72882490 FCPLSZKXOQVMKB-UHFFFAOYSA-N 358.419 3.780 0 40 FHAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c(C)c1 5329537 JWPUSSMCZMTIPP-UHFFFAOYSA-N 372.490 3.848 0 40 FHAB Cc1ccccc1OCC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C 5405763 LXJOPXZHRONKBQ-OAQYLSRUSA-N 355.434 3.659 0 40 FHAB CN(C)CCCNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 12148698 HECXWMAFAKZRIM-UHFFFAOYSA-N 366.387 3.526 0 40 FHAB Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1C 13583035 HIRCFHIILRAXGU-UHFFFAOYSA-N 372.490 3.649 0 40 FHAB CCC(=O)N1CCC[C@@](Cc2ccccc2-c2cccs2)(C(=O)NC)C1 19498673 BTCQOWGVCZNGFD-NRFANRHFSA-N 370.518 3.722 0 40 FHAB CCC(CC)C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1 19500266 XFLACCARAPLPOF-UHFFFAOYSA-N 369.494 3.621 0 40 FHAB CCN1CCC[C@@H]1CN(Cc1ccncc1)Cc1cc(OC)cc(OC)c1 19527213 APBQJIKDUCKRJY-HXUWFJFHSA-N 369.509 3.585 0 40 FHAB Cc1ccc2c(NC(=O)c3cc(-c4ccccc4Cl)no3)n[nH]c2n1 19716799 XQRGCBCYGHELPA-UHFFFAOYSA-N 353.769 3.827 0 40 FHAB COc1ccc(CCC(=O)N2CCC([C@@H]3CCCCN3C)CC2)cc1C 19747104 SYIBTWAVZGQIPT-FQEVSTJZSA-N 358.526 3.659 0 40 FHAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CC1CCN(C2CCCCC2)CC1 19748307 DOJDGZNGTAAIHC-MRXNPFEDSA-N 374.573 3.519 0 40 FHAB COc1ccccc1OCCN1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 557546887 IFTCDWMHQQYVPE-CRAIPNDOSA-N 373.453 3.536 0 40 FHAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccccc2Br)[C@@H]1C 5059271 CLHVHCBOWZGBRI-LALPHHSUSA-N 368.271 3.547 0 40 FHAB COc1ccc(C(=O)Nc2ccc(Cl)cc2N)cc1Br 38073920 GOKRKFYHJJORAE-UHFFFAOYSA-N 355.619 3.946 0 40 FHAB Cc1nc(COCc2cc3c(s2)CCN(C(=O)C2(F)CC2)C3)cs1 1565550942 KDIRMYIUBVOJFP-UHFFFAOYSA-N 366.483 3.617 0 40 FHAB Cc1ccc2nc(N3CCN(C(=O)CCc4ccccc4)CC3)sc2c1 4583404 QBZNZGJBXGCNPO-UHFFFAOYSA-N 365.502 3.886 0 40 FHAB COc1ccc(-c2cc(CNC(=O)c3cc(Cl)ccc3OC)no2)cc1 12637887 IBXLOPODIIOGMZ-UHFFFAOYSA-N 372.808 3.942 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)OCc1cc(-c2ccc3c(c2)OCO3)on1 16838691 ALLLTOGEXCAFSA-ZDUSSCGKSA-N 367.357 3.581 0 40 FHAB CC(C)(C)c1ccc(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)cc1 225663152 UCOAXUQWDFQYAW-UHFFFAOYSA-N 360.461 3.940 0 40 FHAB O=C(NCC[C@@H](CCO)c1ccsc1)c1ccccc1Br 575605776 DHFYPSNEPKQEIW-LBPRGKRZSA-N 368.296 3.797 0 40 FHAB C[C@H](Sc1nc(CCC2CCCC2)n[nH]1)c1nnnn1-c1ccccc1 40127857 KTABSGCUYOAFEY-ZDUSSCGKSA-N 369.498 3.757 0 40 FHAB CC(C)(C)c1ccc(O)c(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 40144817 WDQHMMPRSSRHKB-OAHLLOKOSA-N 373.497 3.556 0 40 FHAB O=C(NCc1cccnc1-n1ccnc1)Nc1ccc(Cl)c(Cl)c1 40145506 YIAVPRMQWAVMGV-UHFFFAOYSA-N 362.220 3.896 0 40 FHAB O=c1c(C(F)(F)F)cccn1Cc1noc(-c2ccc(Cl)cc2)n1 31814976 AKWFSXBUPIRJCV-UHFFFAOYSA-N 355.703 3.619 0 40 FHAB CCN(CC)[C@@H](CNC(=O)c1ccc2c(c1)OCCCO2)c1ccsc1 31986821 CFELXRGVWHVWSD-KRWDZBQOSA-N 374.506 3.722 0 40 FHAB CC(C)c1ccc(C(=O)NCCCNC(=O)c2cc3ccccc3[nH]2)cc1 8404125 KRUHOBMKGCYWSS-UHFFFAOYSA-N 363.461 3.841 0 40 FHAB CCCn1c(SCC(=O)N(C)C2CCCCC2)nnc1-c1ccccn1 1362653 XZEHNKWBLIIWBA-UHFFFAOYSA-N 373.526 3.633 0 40 FHAB Cc1nc(-c2ccccn2)sc1C(=O)N(C)CCOc1ccc(F)cc1 32788852 KRFGVRLXEHNBGH-UHFFFAOYSA-N 371.437 3.804 0 40 FHAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 4006567 PHMFAIZNHTYKOP-BCWBERDBSA-N 359.731 3.820 0 40 FHAB O=S(=O)(c1ccccc1F)N1CC=C(c2c[nH]c3ccccc23)CC1 32885541 ZAJWYGGUWGFIMM-UHFFFAOYSA-N 356.422 3.785 0 40 FHAB Cc1ccc(OC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 102616768 CZYJXYLESJQFCL-XAMWDVODSA-N 373.408 3.526 0 40 FHAB CCCCOc1ccc(S(=O)(=O)n2nnc3cc(Cl)ccc32)cc1 4892959 ZECQBSPJWAVXAV-UHFFFAOYSA-N 365.842 3.501 0 40 FHAB CC(=O)N[C@H]1C(=O)N(CCOc2ccc3ccccc3c2)c2c(C)cccc21 4993309 MCUGKSBFHUSSIW-OAQYLSRUSA-N 374.440 3.751 0 40 FHAB CCn1cc(Br)c(C(=O)N(C)C23CC4CC(CC(C4)C2)C3)n1 6490154 AHRRNFIERVSDDN-UHFFFAOYSA-N 366.303 3.706 0 40 FHAB Cn1ccnc1CN(C1CC1)S(=O)(=O)c1ccc(C2CCCCC2)cc1 32932941 SHCCEMCJDHDHEH-UHFFFAOYSA-N 373.522 3.821 0 40 FHAB Fc1ccc(OCCSc2nnc([C@H]3COc4ccccc4O3)o2)cc1 7089131 QJKSUFZGRVZSNM-MRXNPFEDSA-N 374.393 3.892 0 40 FHAB COc1ccc(CN(C)C(=O)c2ccc(Br)cc2)cc1OC 7304794 PKSULPHOLRYDDG-UHFFFAOYSA-N 364.239 3.739 0 40 FHAB COc1ccccc1OCC(=O)NCCOc1ccc(C(C)(C)C)cc1 7885285 WTLSKQGRYBMADI-UHFFFAOYSA-N 357.450 3.567 0 40 FHAB Cc1cc(OCc2ccc(C(=O)N(C)Cc3ccnn3C)o2)ccc1Cl 2796299 PRORVKRMLOKROJ-UHFFFAOYSA-N 373.840 3.826 0 40 FHAB COCc1ccc(C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)cc1 46909815 JJCJZTOPLWPOIV-UHFFFAOYSA-N 352.434 3.630 0 40 FHAB CCc1nnc2sc(-c3cccc(NC(=O)c4cccc(C)c4)c3)nn12 8071471 XFDWZCDRXYBUOD-UHFFFAOYSA-N 363.446 3.976 0 40 FHAB C/C(=C/C(=O)NCCC(=O)N1CCCc2ccccc21)c1ccc(F)cc1 58005072 XOIJJLMMAZLCOL-NXVVXOECSA-N 366.436 3.715 0 40 FHAB Cc1ccccc1N(Cc1ccc(Br)cc1)S(C)(=O)=O 687811 APBMCKYDDMWJEB-UHFFFAOYSA-N 354.269 3.724 0 40 FHAB Cc1cccc(NC(=O)[C@H]2CCCN(Cc3ncc(C(C)(C)C)o3)C2)n1 54205124 ANZRQLMNPUJROX-HNNXBMFYSA-N 356.470 3.526 0 40 FHAB Cc1noc([C@H]2CCCN(C(=O)Cc3coc4cc5c(cc34)CCC5)C2)n1 54660583 ASSXDVZFHSLPBS-INIZCTEOSA-N 365.433 3.562 0 40 FHAB O=C(O)c1cccc(Cc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)c1 54752055 WLWZEXBTIVKWGQ-UHFFFAOYSA-N 362.410 3.941 0 40 FHAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)O)[C@H]1c1ccc(OC)cc1 101291611 RXFHEIFPGNOEKV-FASAQXTFSA-N 353.418 3.859 0 40 FHAB Cc1ccccc1N1CCN(Cc2nnc(-c3ccc(F)cc3)o2)CC1 25411529 WOKSJFFZOLVMNX-UHFFFAOYSA-N 352.413 3.506 0 40 FHAB Cc1cccc2c(=O)[nH]c(CSc3nc4cc(F)c(F)cc4[nH]3)nc12 12525088 KDUJCMIPIAZNHZ-UHFFFAOYSA-N 358.373 3.678 0 40 FHAB c1ccc(Nc2nnc(SCc3nnnn3-c3ccccc3)s2)cc1 12533056 RMJUBYBIOSMAKN-UHFFFAOYSA-N 367.463 3.550 0 40 FHAB O=C(COC1CCCCC1)Nc1ccc(Cl)cc1C(=O)N1CCCC1 44541302 GREZTPIPVQHCTB-UHFFFAOYSA-N 364.873 3.864 0 40 FHAB Cc1cccc(C(C)(C)CNC(=O)Cc2csc(-c3ncccn3)n2)c1 58264387 KGWGICNORXPAJM-UHFFFAOYSA-N 366.490 3.545 0 40 FHAB COc1ccc(Cc2nnc3sc(-c4ccc(F)cc4)nn23)cc1OC 10311756 PLMBWMATYRLBLW-UHFFFAOYSA-N 370.409 3.600 0 40 FHAB COc1ccccc1OCc1ccc(C(=O)NCc2nc(C)cs2)o1 45040311 RVXFFVMHBPKDAE-UHFFFAOYSA-N 358.419 3.562 0 40 FHAB COc1cccc(NC(=S)N2CCC(C(=O)c3ccc(O)cc3)CC2)c1 10845753 QQRGMLRHUKMAJK-UHFFFAOYSA-N 370.474 3.693 0 40 FHAB COc1cc(-c2ccccc2)sc1C(=O)Nc1ccc2c(c1)C(=O)NC2 58749250 XRBQIZXIZJSVCN-UHFFFAOYSA-N 364.426 3.919 0 40 FHAB CCCSc1nc(NC[C@H](C)O)c2c3c(sc2n1)COC(C)(C)C3 2388589 IVRWWLCONKGLGQ-JTQLQIEISA-N 367.540 3.837 0 40 FHAB COc1ccc(C(C)=O)c(O[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1 28632409 YVEWAMLBQICNRA-HIFRSBDPSA-N 353.418 3.643 0 40 FHAB Cc1nc(S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)sc1CC(N)=O 48261220 XHMNCRQRNKHZLP-NSHDSACASA-N 373.503 3.633 0 40 FHAB CN(C)[C@@H](CNCc1cc(Cl)c2c(c1)OCCCO2)c1ccsc1 28926533 ARWPXVYITDBBSP-INIZCTEOSA-N 366.914 3.955 0 40 FHAB O=C(OCc1coc(-c2cccs2)n1)c1cc(=O)[nH]c2ccccc12 11459349 VDIDHATTZDUNMN-UHFFFAOYSA-N 352.371 3.602 0 40 FHAB COc1ccc2c(c1)CCCN2C(=O)CN1CCc2sccc2[C@@H]1C 11474073 YJMOKIOUOOBFMV-AWEZNQCLSA-N 356.491 3.655 0 40 FHAB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)O)cc1OC 2509203 FOGGGTGHKJQXFI-PKNBQFBNSA-N 350.374 3.654 0 40 FHAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cnc2ccccc2n1 12779396 XFRGKUADMSPYQN-UHFFFAOYSA-N 374.425 3.941 0 40 FHAB CCc1cccc(N2C[C@@H](C(=O)N[C@@H](C)c3ccc(F)c(F)c3)CC2=O)c1 12825037 LDSUPPYBPLEIGR-BBRMVZONSA-N 372.415 3.758 0 40 FHAB CC(C)n1ncc2c(C(=O)Nc3cccc(CO)c3)cc(C3CC3)nc21 12948188 SVWPCZUWXGACBX-UHFFFAOYSA-N 350.422 3.634 0 40 FHAB O=C(Nc1nccs1)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 13005672 GSFWLVGQHHQRBW-OAHLLOKOSA-N 365.458 3.787 0 40 FHAB Cc1ccc(CN2C(=O)S/C(=C\c3ccc4c(c3)OCO4)C2=O)cc1 6009199 FKTLHRBOCQLFNQ-MFOYZWKCSA-N 353.399 3.960 0 40 FHAB CCOc1ccc2c(-c3cc4cccc(OC)c4oc3=O)cc(=O)oc2c1 4339995 PZHWZAVISINMSW-UHFFFAOYSA-N 364.353 3.974 0 40 FHAB biogenic C[C@@H](C(=O)Nc1ccccc1Cl)N(C)Cc1cnn(-c2ccccc2)c1 14018069 SBXWPLQJWPQICD-HNNXBMFYSA-N 368.868 3.985 0 40 FHAB CCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(NC(C)=O)cc1)C3 5346214 NUCLLRIPWWBJPP-UHFFFAOYSA-N 364.401 3.670 0 40 FHAB Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(C)C)cc3)n2)cc1 5396687 XWTSWUKUSZTLMJ-UHFFFAOYSA-N 361.445 3.981 0 40 FHAB CC1(C)[C@H](C(=O)Nc2ccc(Br)cc2)CC[C@]1(C)C(=O)O 4670532 NAQKTSMBPWSBHC-BLLLJJGKSA-N 354.244 3.915 0 40 FHAB CC(C)(C)c1ccc(CSCC(=O)Nc2ccc(C(N)=O)cc2)cc1 6649697 VOIRKCYUKLFXNX-UHFFFAOYSA-N 356.491 3.955 0 40 FHAB CN(C)[C@@H](CNC(=O)CSc1ccc2ccccc2n1)c1ccccc1 5627313 PSNJMXHAYWJLEX-IBGZPJMESA-N 365.502 3.746 0 40 FHAB COc1ccc(-c2nn(CN3CCc4ccccc4C3)c(=S)o2)cc1 6949464 GKVFCTZXTTWTGX-UHFFFAOYSA-N 353.447 3.897 0 40 FHAB COCCn1c(SCc2ccc(F)c(F)c2)nc2ccccc2c1=O 67258489 YEKARCNBBGWLPP-UHFFFAOYSA-N 362.401 3.613 0 40 FHAB COc1ccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)cn1 15302196 KIEZUTAJUNNTOD-UHFFFAOYSA-N 352.390 3.733 0 40 FHAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cccc(COCC2CC2)c1 68433197 YEFCJVMNMKSIAG-VLIAUNLRSA-N 353.418 3.780 0 40 FHAB O=C(NCCCn1ccc2ccccc21)c1cncn1-c1ccc(F)cc1 9219935 RNFUCYWBBWMZAR-UHFFFAOYSA-N 362.408 3.786 0 40 FHAB C[C@H](NC(=O)c1ccco1)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 7990826 MICARWVFTOKBSQ-BDAKNGLRSA-N 373.211 3.721 0 40 FHAB C[C@H]1C[C@H](Sc2nnc(-c3cccs3)n2-c2ccccc2)C(=O)O1 8192532 DRLUQTPLXBXKEB-FZMZJTMJSA-N 357.460 3.792 0 40 FHAB Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cn1 69160273 HUKYQSLNMIHNKY-RLFYNMQTSA-N 369.515 3.821 0 40 FHAB O=C1C[C@@H](c2ccc3c(c2)OCO3)c2c(ncn2-c2cccc(Cl)c2)N1 96335706 XKCYKJHAXMMWPF-AWEZNQCLSA-N 367.792 3.729 0 40 FHAB O=C(NCCCc1nc2ccccc2[nH]1)NCCc1ccc(Cl)cc1 9756322 MGHPVFXGVSHSNT-UHFFFAOYSA-N 356.857 3.691 0 40 FHAB C/C(=C\C(=O)NCCc1c(C)nn(C)c1C)C12CC3CC(CC(C3)C1)C2 84012126 XLHGDVLFGHFVNZ-VGOFMYFVSA-N 355.526 3.858 0 40 FHAB COc1cccc2c1OCC(C(=O)NC1(c3nc(C)cs3)CCCC1)=C2 78673734 JBCBIOMQUHQUIR-UHFFFAOYSA-N 370.474 3.822 0 40 FHAB C[C@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc(Oc2ccccc2)c(F)c1 84647978 YVYNOJPBKPCKEU-ZDUSSCGKSA-N 352.365 3.797 0 40 FHAB COc1ccc(OC)c(CNC(=O)c2c(C)c(C)nc3ccccc23)c1 95450547 NSPFOBFEEOXHAN-UHFFFAOYSA-N 350.418 3.799 0 40 FHAB CC(C)C[C@H](C(=O)Nc1cccc(NC(=O)C(C)C)c1)N1CCCCC1=O 79069391 DDUWRVAQCFFIND-GOSISDBHSA-N 373.497 3.647 0 40 FHAB CCn1ccnc1/C=C/C(=O)O[C@@H](C)C(=O)Nc1cccc2ccccc12 95942940 LCBKCBZILAWSBN-RUMSDORHSA-N 363.417 3.640 0 40 FHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(OC(C)C)cc1 20456432 UUGVYXOWSHWNQB-FQEVSTJZSA-N 357.450 3.956 0 40 FHAB CC(C)C(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 408620923 KPZIDECAABHVSD-UHFFFAOYSA-N 365.842 3.654 0 40 FHAB CCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cc2C)c1 30027936 BSUVGRQUBPBUIX-UHFFFAOYSA-N 352.843 3.662 0 40 FHAB Cc1cc(NC(=O)c2cnc3ccccc3c2C)n(C2CCN(C)CC2)n1 531426196 XUZPYYAGIQKBCN-UHFFFAOYSA-N 363.465 3.567 0 40 FHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)CCC2CCCC2)CC1 31005252 GQFRRFJSPGBNCJ-UHFFFAOYSA-N 371.477 3.850 0 40 FHAB CCOc1ccccc1C(=O)NCCCNc1ccc(C(F)(F)F)cn1 32911953 XCOXPGVAEFBLBX-UHFFFAOYSA-N 367.371 3.731 0 40 FHAB Cc1nc(C)n(C[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)n1 72390294 FIWWSCHZZAXDIL-LLVKDONJSA-N 373.457 3.741 0 40 FHAB N[C@H](C(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 72197218 IDRUGDMUZDSGDX-NRFANRHFSA-N 363.413 3.929 0 40 FHAB CC(C)CCCC[C@@H](C)NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O 41128026 YWTXWWNVFOIMQN-MRXNPFEDSA-N 373.472 3.771 0 40 FHAB O=C(COc1ccc(Cl)cc1)NC[C@H](O)c1csc2ccccc12 225693284 JJGHTLMUXSNSBO-INIZCTEOSA-N 361.850 3.783 0 40 FHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C(C)C)c1C 223004258 PUIHTUGXSYLTEK-OALUTQOASA-N 372.538 3.700 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 224597608 CIWCFCPWYUAHJV-INIZCTEOSA-N 370.468 3.924 0 40 FHAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3)C2=O)c1 83329007 RBUSPVBLOWTQTF-LFIBNONCSA-N 352.415 3.670 0 40 FHAB COc1cc2c(cc1S(=O)(=O)NCc1ccccc1Cl)CCCC2 224911664 YKHLNYNBKNUVGL-UHFFFAOYSA-N 365.882 3.706 0 40 FHAB CC[C@@H](NS(=O)(=O)c1cc(F)ccc1OC)c1ccc(OC)c(C)c1 222825758 VAVCSPIKPDAJQT-OAHLLOKOSA-N 367.442 3.581 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)C(C)C)c2C)cc1 225204567 ZEKQKFTWUUGGMT-INIZCTEOSA-N 374.506 3.879 0 40 FHAB CCOc1cc(CNC(=S)Nc2ccc(F)c(F)c2)ccc1OC 225770835 OCEWMMFYTZXWOQ-UHFFFAOYSA-N 352.406 3.859 0 40 FHAB Cc1ccc(OCC(=O)NCc2cccc(CN3CCCCC3)c2)cc1C 224670905 KFKJWXYSNGVGHR-UHFFFAOYSA-N 366.505 3.985 0 40 FHAB CC(C)OCc1cccc(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 48373970 LPLXGTRNXGQSOW-IBGZPJMESA-N 359.853 3.885 0 40 FHAB Cn1c2nc(S)nnc2c2cc(C(C)(C)C)cc(Br)c21 96319342 KANDWNGHDZCLND-UHFFFAOYSA-N 351.273 3.865 0 40 FHAB Cc1cc(C(=O)N2CC3(C[C@H](OCc4cccnc4)CS3)C2)sc1C 251999731 MAUKEYRNYPGBJL-INIZCTEOSA-N 374.531 3.677 0 40 FHAB COCCC(=O)N[C@@H]1C[C@H](c2cc(F)ccc2F)O[C@@H]2CCCC[C@@H]12 257238465 HLCJWZFHNTUYSH-OKDNKWQNSA-N 353.409 3.506 0 40 FHAB C=CC(=O)Nc1ccc(C(=O)N2CCc3ccc(F)cc3[C@H](C)C2)cc1 1644170714 HJFGRAWDFUFVJX-CQSZACIVSA-N 352.409 3.752 0 40 FHAB CC(C)[C@@H]1N(C(=O)Nc2cc(-c3ccsc3)nn2C)CC12CCOCC2 669386004 NPEGJGGQSUOPSF-KRWDZBQOSA-N 374.510 3.818 0 40 FHAB Cc1noc2nc(C(C)C)cc(C(=O)N[C@H]3CCc4c(O)cccc43)c12 600992072 FLYJDSRAAFLZEQ-HNNXBMFYSA-N 351.406 3.778 0 40 FHAB O=C(Nc1nc2c(s1)CN(C(=O)[C@@H]1CC=CCC1)CC2)c1ccsc1 96024345 QAURICYOOMEEBK-GFCCVEGCSA-N 373.503 3.698 0 40 FHAB COCC[C@@H]1CN(C(=O)Cc2csc3ccccc23)Cc2cccn2C1 585095041 AZAWTZMYYWCPRX-INIZCTEOSA-N 368.502 3.940 0 40 FHAB O=C(CSC1=Nc2ccccc2CS1)NC[C@H]1Cc2ccccc2O1 53615319 SDQDYHCIKBLUGO-OAHLLOKOSA-N 370.499 3.774 0 40 FHAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1nc(C)n(-c2ccccc2)n1 1544046001 VDWNVGLTPRGPIB-QGZVFWFLSA-N 350.422 3.680 0 40 FHAB CC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)NC1CCCC1 5414282 VLMYMRGKNFIQKE-RDJZCZTQSA-N 360.473 3.763 0 40 FHAB biogenic,in-vitro Cc1cc(C(=O)COC(=O)c2cccc(O)c2)c(C)n1Cc1ccccc1 5755549 NACDMHFTAQFRCS-UHFFFAOYSA-N 363.413 3.899 0 40 FHAB Cc1ccc(C(=O)NCC(=O)Nc2nc(-c3ccc(C)s3)cs2)cc1 11514837 XAIAWFJDVMBGMX-UHFFFAOYSA-N 371.487 3.857 0 40 FHAB COc1ccc([C@H](CNC(=O)Nc2cccc(OC)c2)N2CCCC2)cc1 13048861 SYHYSLUUHAGHAC-FQEVSTJZSA-N 369.465 3.662 0 40 FHAB COc1ccccc1-c1noc([C@@H](C)NC(=O)c2cccc(Cl)c2)n1 13495135 JUGRRCALLPZSIT-LLVKDONJSA-N 357.797 3.890 0 40 FHAB COc1ccc(OCCNC(=O)COc2cc(C)ccc2C(C)C)cc1 15615358 WBGMPOJVHRAVKH-UHFFFAOYSA-N 357.450 3.701 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)[C@H](C)Oc2cccc(F)c2)c(OC)c1 19078717 CVWCEIXFVUOADF-IFXJQAMLSA-N 373.424 3.974 0 40 FHAB Cc1cc(-c2cncnc2-c2ccc(CNC(=O)C3CCCC3)cc2)on1 19124263 WNJKDVUMZMMIME-UHFFFAOYSA-N 362.433 3.913 0 40 FHAB CC(C)CN1Cc2ccccc2OC2(CCC(N3CCOCC3)CC2)C1 19447216 XXJDQGOJWDLTHW-UHFFFAOYSA-N 358.526 3.551 0 40 FHAB CCOc1ccccc1NC(=O)N1CCC(n2cnc3cccnc32)CC1 19520219 IHBUROVVSAKSOQ-UHFFFAOYSA-N 365.437 3.699 0 40 FHAB CCc1nccn1C[C@H](C)C(=O)Nc1ncc(Cc2ccccc2)s1 19523600 IXOHVARCCCOULJ-AWEZNQCLSA-N 354.479 3.768 0 40 FHAB Cn1nccc1CN1CCC(c2ccc(Cc3cccc(F)c3)cn2)CC1 19690536 KQYBMGXHFPBZMG-UHFFFAOYSA-N 364.468 3.925 0 40 FHAB CC(C)c1ccc([C@H](NC(=O)COc2ccccc2C(N)=O)C(C)C)cc1 7152818 DLZLDCHWCRGKQI-OAQYLSRUSA-N 368.477 3.801 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c(C)c1 10628908 CTKSWHQCZRESBQ-QGZVFWFLSA-N 355.463 3.706 0 40 FHAB O=C(Cc1ccccc1Br)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1888860407 ZNWQJEWTLCSYFA-GJZGRUSLSA-N 374.282 3.583 0 40 FHAB Cc1ccc(/C=C/C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)s1 27446501 HBSYXACSKCVOAM-MDZDMXLPSA-N 370.474 3.710 0 40 FHAB CCOc1ccc([C@@]2(O)CN(c3cccc(C)c3C)C3=[N+]2CCCC3)cc1 2966256 MDECVIKGSNUKRQ-QHCPKHFHSA-N 365.497 3.962 0 40 FHAB COc1cccc(C(=O)N2CCN=C2SCc2ccccc2C)c1OC 4120012 KRKOZXPUUUYKLX-UHFFFAOYSA-N 370.474 3.757 0 40 FHAB O=S(=O)(c1ccccc1)N1N=C(c2ccco2)C[C@@H]1c1ccccc1F 4942321 COBYEYBZWPLBDR-GOSISDBHSA-N 370.405 3.959 0 40 FHAB Cc1cccc2sc(N3C[C@@H]4CN(c5ncccc5F)C[C@H]4C3)nc12 2086868840 QXVAKHCYWLBMKW-KBPBESRZSA-N 354.454 3.711 0 40 FHAB COC(=O)c1ccc(CSc2ccc(-c3ccc4c(c3)OCO4)nn2)o1 5410631 KCLPEQZZBLEZHC-UHFFFAOYSA-N 370.386 3.544 0 40 FHAB Cc1ccc(-c2nnc(CCC(=O)N3CCc4sccc4C3)o2)cc1 40034414 GQCVGIRNXQLSAL-UHFFFAOYSA-N 353.447 3.624 0 40 FHAB C[C@H](OCC(F)(F)F)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 31681876 ULPNCTWRBGYIBM-ZETCQYMHSA-N 366.311 3.994 0 40 FHAB O=C(c1ccccc1NCc1c(F)cccc1Cl)N1CCC[C@@H](O)C1 59803095 MYPKGMANSINLOR-CYBMUJFWSA-N 362.832 3.688 0 40 FHAB O=C1c2ccccc2N[C@H](c2ccccn2)N1Cc1ccc2c(c1)OCO2 7885227 LNHZBMISGBOLIT-FQEVSTJZSA-N 359.385 3.577 0 40 FHAB Cc1nnc(SCC(=O)Nc2ccccc2F)n1-c1ccc(F)cc1 795754 GJTGADGECFFKJX-UHFFFAOYSA-N 360.389 3.585 0 40 FHAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccncc3)C(=O)[C@@H]12 840484 ZAVGHHQBUCUPQN-YQORSWRPSA-N 366.420 3.652 0 40 FHAB Cn1c(Cl)cnc1COC(=O)c1[nH]c2ccccc2c1Br 46498622 RCBAJPZJANHCBP-UHFFFAOYSA-N 368.618 3.674 0 40 FHAB Cc1cccc2cc(CN(Cc3ccco3)C(=O)C(F)(F)F)c(=O)[nH]c12 1346744 QTPGYFTUWXYPOT-UHFFFAOYSA-N 364.323 3.521 0 40 FHAB O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(Br)cc1 2547080 PPNBMQUTFASJPB-IAGOWNOFSA-N 360.251 3.749 0 40 FHAB O=C(c1ccccc1)c1ccccc1NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 102324957 FCYHIISRWIABQG-SAKMYQHLSA-N 363.413 3.603 0 40 FHAB OC1=C2C(=Nc3nonc3N[C@H]2c2ccc(O)cc2)C[C@@H](c2ccco2)C1 102751567 PMDCRLRZLHARNO-DIFFPNOSSA-N 364.361 3.997 0 40 FHAB COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)c1 641267 PAAJMTDERDYBJK-LJQANCHMSA-N 365.433 3.579 0 40 FHAB Cc1ccc(-n2cnnn2)cc1NC(=O)CCc1ccc(C(C)(C)C)cc1 59284206 YYLGVQNPYRCJTN-UHFFFAOYSA-N 363.465 3.840 0 40 FHAB CSCC[C@@H](NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1 50577392 OPPNYIIXFNUGAD-QGZVFWFLSA-N 354.479 3.857 0 40 FHAB O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(C(F)(F)F)s1 795361 WJYWYFXAOOHIMZ-UHFFFAOYSA-N 372.155 3.881 0 40 FHAB Cc1cccc(C)c1N[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 101276975 LRPFJRLNXMDUJM-OAHLLOKOSA-N 373.250 3.810 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1OCC 7927713 UVZKGVGPUALZOS-UHFFFAOYSA-N 355.843 3.938 0 40 FHAB Cc1ccccc1[C@@H](C)NC(=O)CSc1nc(N)c2ccsc2n1 9835865 NFEFNGLCVTYSTJ-LLVKDONJSA-N 358.492 3.551 0 40 FHAB Cc1ccc(OCc2nnc3n2N=C(c2ccc(C)cc2)CS3)cc1 1017329 IDQLCYGBBCOBMN-UHFFFAOYSA-N 350.447 3.832 0 40 FHAB O=C([C@@H]1C[C@@H]2CC[C@@H]1C2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 100656978 NUGNDGUTWSCSFP-CKEIUWERSA-N 352.400 3.790 0 40 FHAB CN(C)Cc1ccccc1CNC(=O)CCC(=O)c1ccc2c(c1)CCC2 24084940 QZYKZTUKTSMCNH-UHFFFAOYSA-N 364.489 3.516 0 40 FHAB O=C(c1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCCCCCC1 12526303 OMJSMTXVVJSNAJ-UHFFFAOYSA-N 372.490 3.894 0 40 FHAB C[C@H](NC(=O)[C@H]1[C@H]2CC[C@@]3(CC(=O)c4ccccc4O3)[C@@H]21)c1ccccc1 100124491 MTUYDFNNRNSSRA-WAYYENDDSA-N 361.441 3.924 0 40 FHAB CCCn1c(O)c(C(=O)Nc2cc(C)ccc2C)c(=O)c2ccccc21 1302168 ZEXMXKPQLCVOSD-UHFFFAOYSA-N 350.418 3.986 0 40 FHAB Cn1ccnc1[C@H](NC(=O)CCc1ccsc1)c1ccc(Cl)cc1 12507249 KNKMXJRTNBPURM-QGZVFWFLSA-N 359.882 3.973 0 40 FHAB Cc1ccccc1C(=O)Nc1cccc(NC(=S)NC(=O)C(C)C)c1 21596318 FLLLIOXCADSIPH-UHFFFAOYSA-N 355.463 3.716 0 40 FHAB CCOc1ccccc1NS(=O)(=O)c1ccccc1OC(F)(F)F 12507995 BRNLHPLRXABINV-UHFFFAOYSA-N 361.341 3.785 0 40 FHAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)C1(c2cccc(F)c2)CCCC1 3272665 JYEHMXRIBJZXQO-HZPDHXFCSA-N 361.457 3.970 0 40 FHAB Cc1ccc(CCC(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)cc1Cl 25408494 OHAGYDNYHSQACC-HZPDHXFCSA-N 366.933 3.585 0 40 FHAB O=c1c2ccccc2cnn1CN1CCC[C@@H]1Cc1ccccc1Cl 57103448 OAPXWJWAIQHQRF-QGZVFWFLSA-N 353.853 3.715 0 40 FHAB Cc1ccsc1C(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1 3265359 NUCXBUXLPBKPEK-UHFFFAOYSA-N 357.475 3.695 0 40 FHAB O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1CNc1ccc(Cl)c(Cl)c1 103528127 VOPRBEDUOSXYRV-MNOVXSKESA-N 359.640 3.881 0 40 FHAB Cc1nn(-c2ccccc2)c(Cl)c1Cn1ncc(Cl)c(Cl)c1=O 57913894 YQBJWTCEPOGBGZ-UHFFFAOYSA-N 369.639 3.746 0 40 FHAB COc1ccc(CCNC(=O)c2cc3cc(OC)ccc3nc2C)cc1 27459310 TXUIDBNIEDMWFO-UHFFFAOYSA-N 350.418 3.533 0 40 FHAB Cc1ccc(C(=O)COC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1C 48276128 OVRKBUYRTDRIBM-UHFFFAOYSA-N 352.365 3.872 0 40 FHAB CCN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)CC1 58148851 BADBUZLEGBSDNQ-UHFFFAOYSA-N 374.488 3.625 0 40 FHAB COc1ccc(-c2nsc(NC(=O)c3ccc(C)cc3)n2)cc1OC 27584788 TUKRXXKNGYOGBZ-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB O=c1[nH]c(CN2CCC[C@@H]2c2ccccc2)nc2sc3c(c12)CCC3 10339893 RJDHRXOXBARNCP-OAHLLOKOSA-N 351.475 3.810 0 40 FHAB CC(C)N(Cc1ccccn1)C(=O)c1ccc(CSc2nccn2C)o1 58355306 CCWNKMOZYWURTE-UHFFFAOYSA-N 370.478 3.751 0 40 FHAB CC(C)N1CC[C@@H](CNC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1 58325565 GHWSVKMPSOIGHC-HNNXBMFYSA-N 359.470 3.580 0 40 FHAB COc1ccc(NC(=S)N(C)CC(=O)Nc2cc(C)ccc2C)cc1 3392422 AQUVNZIIERIGAI-UHFFFAOYSA-N 357.479 3.579 0 40 FHAB CCC[C@H]1CCCN(C(=O)CCn2c(=S)[nH]c3ccccc3c2=O)CC1 58415995 YNOFVTGNJTXAMR-HNNXBMFYSA-N 373.522 3.878 0 40 FHAB CC(C)Cc1ccc([C@@H](C)NC(=O)c2ccc(CNC(N)=O)cc2)cc1 12787079 FBTWZITYVAYJRK-OAHLLOKOSA-N 353.466 3.544 0 40 FHAB COCc1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 8124536 JHTJHOFVFIGXPW-FQEVSTJZSA-N 355.434 3.731 0 40 FHAB CC(=O)Nc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc1 36632612 YAIQJWZSIXMIDV-UHFFFAOYSA-N 360.417 3.572 0 40 FHAB CCOc1cc2c(cc1CNC(=O)c1cn(C)c3ccccc13)O[C@H](C)C2 8144581 GVSZMESODSWMHP-CQSZACIVSA-N 364.445 3.830 0 40 FHAB Cc1ccc(F)cc1NC(=O)[C@H](C(C)C)n1nnc(-c2ccccc2)n1 48342940 KFGDMGVEJSALMM-KRWDZBQOSA-N 353.401 3.623 0 40 FHAB CCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccncc1 48325768 VLIVSBDSKAXLQR-NSHDSACASA-N 358.471 3.894 0 40 FHAB COc1ccccc1Nc1ncccc1C(=O)OCc1nc(C)c(C)o1 48311366 URZGDNOUUGOSOX-UHFFFAOYSA-N 353.378 3.796 0 40 FHAB Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)n1 11657647 YBRMUDXQLJZMNY-UHFFFAOYSA-N 350.753 3.516 0 40 FHAB CC(C)(C)c1ccc(NC(=O)Cc2csc(NC(=O)C3CC3)n2)cc1 12863952 NRGWKCXDSVFXQB-UHFFFAOYSA-N 357.479 3.970 0 40 FHAB O=C(Nc1ccccc1N1CCCC1=O)c1cccc(Br)c1 12803395 GSZGFPAKXUMCFB-UHFFFAOYSA-N 359.223 3.828 0 40 FHAB Cc1ccc(C)c(NC(=O)[C@@H](C)N(C)Cc2ccc3c(c2)OCCO3)c1 12807369 QLYNEMBGOYFDHB-MRXNPFEDSA-N 354.450 3.534 0 40 FHAB NC(=O)[C@H](OC(=O)c1ccc(C2SCCS2)cc1)c1ccccc1 12819727 PPABYPIYZRRETR-OAHLLOKOSA-N 359.472 3.549 0 40 FHAB COC(=O)c1ccc(O[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1 8705367 RSOPWFCMDHPEHD-GOSISDBHSA-N 366.373 3.528 0 40 FHAB COc1ccc(OCCSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 3531833 MJFRKGDWXQJCDP-UHFFFAOYSA-N 372.402 3.645 0 40 FHAB COc1ccc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc1Cl 3615722 SMBXXBLYRBVPEV-UHFFFAOYSA-N 371.824 3.892 0 40 FHAB CC(C)C[C@@H](NC(=O)c1cc(=O)[nH]c2ccccc12)c1nc2ccccc2[nH]1 16967144 NUTNADWVVJMINB-LJQANCHMSA-N 374.444 3.922 0 40 FHAB CC(=O)c1cccc(NC(=O)C(=O)N[C@H](CC(C)C)c2ccccc2)c1 48975877 HDBSFALBQQCSFC-LJQANCHMSA-N 352.434 3.731 0 40 FHAB O=C(NC[C@@H]1CCCO1)c1cc2ccccc2o/c1=N\c1ccc(F)cc1 13426921 UKTXNECRZOKOFX-JOGXUEJDSA-N 366.392 3.713 0 40 FHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(F)c(Cl)c2)cc1 6054823 KJVHREWFYBMPPV-RUDMXATFSA-N 363.772 3.683 0 40 FHAB Cc1ccccc1Nc1nc(N2C[C@@H](C)C[C@H](C)C2)nc2c1cnn2C 4272757 RSROFVBUSAKTBP-KBPBESRZSA-N 350.470 3.898 0 40 FHAB COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C)n2)cc1 6199638 GCSCHXVWTFDIHV-UHFFFAOYSA-N 361.401 3.903 0 40 FHAB Cn1cccc1C(=O)N1CCCC[C@H]1CCOC(=O)/C=C/c1cccs1 69421248 IEAQIPYPCVRHIL-SCOAYWHSSA-N 372.490 3.728 0 40 FHAB CCCCOc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1 13809815 RNOGUFZSTQFBIF-AQTBWJFISA-N 350.443 3.636 0 40 FHAB CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(C(C)C)cc1)C3 20671706 PHNHFHPIHKNPIJ-AWEZNQCLSA-N 352.463 3.882 0 40 FHAB C[C@@H](NC(=O)CCc1nc2ccccc2s1)c1ccc2c(c1)OCO2 14140457 GBHLEEXVCWVIGD-GFCCVEGCSA-N 354.431 3.835 0 40 FHAB COc1cccc(C(=O)COC(=O)CCCC(=O)Nc2ccccc2C)c1 4544769 QRYPJWVRYNQKLQ-UHFFFAOYSA-N 369.417 3.539 0 40 FHAB Cc1ccc(C)c(NC(=O)Cn2nc(-c3ccc(C)c(C)c3)ccc2=O)c1 5401550 KDHPMSLDFNIEIR-UHFFFAOYSA-N 361.445 3.783 0 40 FHAB COc1ccccc1-n1cnnc1S[C@@H](C)C(=O)c1ccc(F)cc1 6534751 HXLCLXRQNOYTNZ-LBPRGKRZSA-N 357.410 3.779 0 40 FHAB COC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2Cl)cc1 6590346 USANBTIMBNBYOE-QGZVFWFLSA-N 361.850 3.901 0 40 FHAB COC(=O)[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)c1ccccc1 4747430 LABSYWPSZKXUGH-FQEVSTJZSA-N 364.397 3.965 0 40 FHAB COc1ccc([C@@H]2NC(=O)c3sc4nc5c(cc4c3N2)CCC5)cc1 8767371 HATXISWYKQKAKC-KRWDZBQOSA-N 351.431 3.648 0 40 FHAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)NC[C@H]3CCCO3)sc2n1 6780476 UGFKDEQCTZIBTF-CQSZACIVSA-N 355.463 3.613 0 40 FHAB O=C(COC(=O)COc1ccc2ccccc2c1)Nc1ccc(F)cc1F 6886493 KURYFBUIRTYKIO-UHFFFAOYSA-N 371.339 3.679 0 40 FHAB Cc1ccc(S(=O)(=O)CCC(=O)N2CCC[C@@H]2c2cccs2)cc1 6849992 PHCKHEXRMKBDFZ-MRXNPFEDSA-N 363.504 3.584 0 40 FHAB Cc1nc2cc(NC(=O)CCNC(=O)c3ccccc3Cl)ccc2o1 8705949 NLJNFPKDTWSBLB-UHFFFAOYSA-N 357.797 3.548 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3sccc3C3CC3)C2)nc1 67205199 BXASTGHZSWGBNL-OAHLLOKOSA-N 369.490 3.820 0 40 FHAB CC(C)c1ccc(CN(C)C[C@H](O)COCc2ccc3c(c2)OCO3)cc1 7007648 JDRRXDDODYDZGZ-FQEVSTJZSA-N 371.477 3.548 0 40 FHAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3ccc4nsnc4c3)oc2c1 15841378 YLNYJSPYXMAANC-UHFFFAOYSA-N 351.387 3.667 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 15966750 UDWNQJFNONNLPP-IAGOWNOFSA-N 366.461 3.542 0 40 FHAB O=C(Cc1ccccc1)N[C@@H](N1CCCCCC1)C(Cl)(Cl)Cl 19315471 SSJBKDRIBNYQGV-HNNXBMFYSA-N 363.716 3.918 0 40 FHAB CCCC(=O)Nc1ccc(N2CCN(C(=O)CCC)CC2)c(Cl)c1 9064375 TWOLDRCXANCSPQ-UHFFFAOYSA-N 351.878 3.527 0 40 FHAB C[C@@H](NC(=O)c1cc(Cl)ccc1O)c1nc(-c2cccc(F)c2)no1 72304640 HGTHUVZCJOXURK-SECBINFHSA-N 361.760 3.726 0 40 FHAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(C)Cc1ccc(Cl)s1 9514814 TUHYOCVUYOOLBU-NSHDSACASA-N 366.870 3.632 0 40 FHAB Cc1cccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccccc3)[nH]2)c1 9582288 QVQGRBQXLKPQEL-AWEZNQCLSA-N 352.463 3.750 0 40 FHAB CCc1noc([C@H](C)Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)n1 83830491 ZNISUNKAHSJTOS-QMMMGPOBSA-N 365.846 3.932 0 40 FHAB Cn1ccnc1[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccccc1 9637863 RBOIXTFUMRTIHC-JOCHJYFZSA-N 371.440 3.858 0 40 FHAB C[C@H](NC(=O)c1ccc(-n2cccn2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 95466110 JJQZNWCHTXZVPX-GHTZIAJQSA-N 374.488 3.513 0 40 FHAB CSc1cc(C(=O)NC[C@@](C)(O)c2ccco2)c(Cl)cc1Cl 95966152 GINPZQQBHRQDDK-OAHLLOKOSA-N 360.262 3.946 0 40 FHAB COc1ccc(Br)cc1NC(=O)N[C@H](C)C(C)(C)CN(C)C 75109662 RHYGWYIIVLUOGX-LLVKDONJSA-N 372.307 3.556 0 40 FHAB C[C@H](OCc1ccccc1)C(=O)N1CCN([C@H](C)c2cccc(F)c2)CC1 89905212 NTJAZVFPBFBYCS-MSOLQXFVSA-N 370.468 3.636 0 40 FHAB Cc1ccc(CN2CN(c3nccs3)CN(c3nccs3)C2)cc1 21122990 DIHFHOWFRUDOCU-UHFFFAOYSA-N 357.508 3.609 0 40 FHAB O=C(Nc1ccc(F)cc1)c1oc2ccccc2c1NC(=O)[C@H]1CCCO1 61997241 WTLLFIMEFUIQAZ-MRXNPFEDSA-N 368.364 3.942 0 40 FHAB CCCC[C@@](C)(O)C/C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 31309002 CNWGPXZGIIOYDL-BRWPNZGKSA-N 368.514 3.865 0 40 FHAB CCCCCN(Cc1ccc(F)cc1)C(=O)c1cnc2ccccn2c1=O 36397780 GLNRCUVSEKRNGG-UHFFFAOYSA-N 367.424 3.666 0 40 FHAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Oc2cc(C)ccc2C)CC1=O 408660887 LWGXYZQUEPRQED-AWEZNQCLSA-N 373.836 3.924 0 40 FHAB O=C(Cc1ccccc1OC(F)(F)F)NCCc1c[nH]c2ccccc12 79493934 MAUVDWHCPRFRMI-UHFFFAOYSA-N 362.351 3.968 0 40 FHAB Cc1cc(Nc2ccccn2)nc([C@@H]2CCCN(Cc3cccnc3)C2)n1 72359985 XLSYPWKYYWBLLZ-GOSISDBHSA-N 360.465 3.698 0 40 FHAB CCN1CCCC[C@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 72216419 XJQLTJSFRVFDRX-SFHVURJKSA-N 374.529 3.686 0 40 FHAB Cc1ccc(N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 219850812 MSQSFCMIVPCVBK-UHFFFAOYSA-N 363.505 3.560 0 40 FHAB CC(C)c1nccn1-c1cncc([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 72355384 IBYWOHYVXZCBMP-QGZVFWFLSA-N 367.497 3.682 0 40 FHAB CCCC(CCC)C(=O)N1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21 40386263 GMCQAIFMBKODIM-GOSISDBHSA-N 356.466 3.771 0 40 FHAB Cc1cc(Br)cc(C)c1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 226404837 SUWDGXUJCJKDOO-ODICJLLRSA-N 372.262 3.623 0 40 FHAB Cc1ccc(C(=O)N[C@H](C)C(C)C)cc1NS(=O)(=O)c1ccccc1 225204793 OOIXPKGPIBDPTK-OAHLLOKOSA-N 360.479 3.570 0 40 FHAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1 225103164 JNGPRXNOGKQYHO-NRFANRHFSA-N 366.505 3.871 0 40 FHAB Cc1cc(OCC(=O)NCCc2ccc(F)cc2)ccc1Br 224241690 HIUPVRHXHQVFJR-UHFFFAOYSA-N 366.230 3.634 0 40 FHAB CC(=O)N(c1nc(C)c(C(=O)Nc2cc(Cl)ccc2O)s1)C(C)C 40266630 AOLPAVJXQGBVOA-UHFFFAOYSA-N 367.858 3.824 0 40 FHAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccnc2)S1 222587373 HELJNOWUMUFVJA-JVPBZIDWSA-N 361.474 3.857 0 40 FHAB CC(C)(C)OC(=O)N1CC[C@@H](NCc2cccc(Br)c2)C1 83552567 PRMNJZYGYAPRJX-CQSZACIVSA-N 355.276 3.548 0 40 FHAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 224325968 JBTCOBPXZFISID-VPRMIVPMSA-N 364.445 3.664 0 40 FHAB COc1ccc(CC(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc1C 225785165 NTXJHYQGOMTYQZ-UHFFFAOYSA-N 352.434 3.620 0 40 FHAB CC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 223270619 USUFGHIFKQIPLE-UHFFFAOYSA-N 373.261 3.777 0 40 FHAB CC1CCN(CCCNC(=O)CSCc2ccc(Cl)cc2F)CC1 222948749 QJCVOJMVMCZKSU-UHFFFAOYSA-N 372.937 3.951 0 40 FHAB COc1ccc([C@@H]2SC(C)=Nc3c2c(O)nn3C2CCOCC2)cc1 95478276 GWZPKNWKHQOAOC-INIZCTEOSA-N 359.451 3.835 0 40 FHAB Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C[C@H](C)NC(=O)C2CCCC2)o1 246769388 GBNGKCPHADYFIR-VKJFTORMSA-N 360.498 3.973 0 40 FHAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3c(F)cccc3F)CC2)cc1 240686447 AJXHFTHHCZACTH-UHFFFAOYSA-N 358.388 3.764 0 40 FHAB Cc1cccc(NC[C@H]2CCCN2C(=O)COC/C=C/c2ccccc2)n1 1253049754 UMKYEDDZWACZFA-WUTDNEBXSA-N 365.477 3.523 0 40 FHAB C[C@@H](O)C1CCN([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 111288136 AOKHSQNQUVKHPL-FOIQADDNSA-N 356.441 3.598 0 40 FHAB Cc1ccc2nc(NC(=O)CSc3nc(C(C)(C)C)n[nH]3)sc2c1 12259995 RIDMLRYPJZDTNN-UHFFFAOYSA-N 361.496 3.751 0 40 FHAB CCc1c(C)nc2cc([C@H]3CCN(Cc4cccc(F)c4F)C3)nn2c1O 12276402 QSPLKDWQCDKDQO-ZDUSSCGKSA-N 372.419 3.573 0 40 FHAB COc1ccccc1CNC(=O)c1ccc(OCc2cscn2)cc1 12861695 RUJOQEIGXVOQHW-UHFFFAOYSA-N 354.431 3.661 0 40 FHAB CC(C)c1cc(C(=O)N[C@H](Cc2ccsc2)c2nccs2)n(C)n1 19452269 WFRSYXZDQFTYNY-CQSZACIVSA-N 360.508 3.775 0 40 FHAB COc1cccc(CN2CCC[C@@H](c3nnc(-c4scnc4C)o3)C2)c1 19562801 BJPZIVURNQPEEZ-OAHLLOKOSA-N 370.478 3.890 0 40 FHAB COc1cccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)O2)c1 1513600 NZLFXRCTHMORSY-OQLLNIDSSA-N 358.191 3.802 0 40 FHAB O=C(Nc1nc2c(s1)CCCC2)N1CCOC[C@@H]1c1ccc(F)cc1 519685305 UEJNYGMLBDNHLA-OAHLLOKOSA-N 361.442 3.766 0 40 FHAB Cc1ccc(C(=O)CCC(=O)O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)s1 5151764 JKWFOZSCVDGLFF-LBPRGKRZSA-N 370.430 3.560 0 40 FHAB C[C@H]1CN(C(=O)[C@H](C)OC(=O)c2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 13526315 WJRSNCVRIYLUSS-BBWFWOEESA-N 367.445 3.535 0 40 FHAB Cc1ccc(Cl)c2sc(N3CC[C@H](C(=O)NC(C)(C)C)C3)nc12 1889128209 VJGCLDFEFQNVTE-NSHDSACASA-N 351.903 3.999 0 40 FHAB C[C@@H](SC1=NCCS1)C(=O)Nc1nnc(-c2ccc(F)cc2)s1 4174511 NLCSFOKABJPWNJ-MRVPVSSYSA-N 368.484 3.507 0 40 FHAB COc1ccc(OCc2nnc3n2N=C(c2ccc(C)cc2)CS3)cc1 4271249 ANQAFCBLBSTWKR-UHFFFAOYSA-N 366.446 3.532 0 40 FHAB CC(C)CN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccccc3)ccc21 8840890 IYQVRHIOLVCYRV-UHFFFAOYSA-N 372.490 3.564 0 40 FHAB Cc1cc(C(=O)N(Cc2ccco2)c2nc3ccccc3s2)nn1C 9122242 KXTFUYRMRIQJKE-UHFFFAOYSA-N 352.419 3.778 0 40 FHAB O=C(Cn1cc(-c2nnc(-c3ccco3)o2)c2ccccc21)N1CCCC1 11695956 ARUJKUAPIJUGNC-UHFFFAOYSA-N 362.389 3.574 0 40 FHAB COc1ccc(N2CCn3c(SCc4ccccc4F)nnc32)cc1 16954028 HAXRHHRSGUMYOL-UHFFFAOYSA-N 356.426 3.870 0 40 FHAB c1ccc(-n2cc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cn2)cc1 40024164 HEOFURXSFIKZMB-HXUWFJFHSA-N 361.445 3.981 0 40 FHAB CCCc1n[nH]c(SCc2cc(Br)c3c(c2)OCO3)n1 40154976 GSOUJSPRKMJKBG-UHFFFAOYSA-N 356.245 3.541 0 40 FHAB Cc1cc(C(=O)N2CCOC(C)(C)C2)cc(C)c1OCc1cccnc1 32665862 IYPOUBMVXCISMN-UHFFFAOYSA-N 354.450 3.528 0 40 FHAB COc1cc(C)cc2c1OCC[C@H]2NC(=O)Nc1cccc(C(C)=O)c1 60358419 PMQIFAAIXAKEGP-QGZVFWFLSA-N 354.406 3.852 0 40 FHAB O=C(NO[C@@H]1CCCCO1)c1ccccc1C(=O)c1ccc(Cl)cc1 60332268 IFMBNEBVWIECCX-QGZVFWFLSA-N 359.809 3.759 0 40 FHAB CC(=O)c1cccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2C)c1 1343569 MAWPDHUAQPAWOI-LJQANCHMSA-N 365.433 3.833 0 40 FHAB CC(C)N(C(=O)CSc1nnc(NC(=O)CC(C)(C)C)s1)C(C)C 4905370 XLIPEHZQPJWIQW-UHFFFAOYSA-N 372.560 3.650 0 40 FHAB O=C(CSCc1coc(-c2ccccc2)n1)Nc1cccc2c1OCO2 97082867 ALAMDFOTWBKXCR-UHFFFAOYSA-N 368.414 3.942 0 40 FHAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc2c(c1)CCC2 8278071 BPVVCRQCAIEZRX-UHFFFAOYSA-N 357.837 3.920 0 40 FHAB CCOc1ccc(OCCN2C(=O)[C@H](C)N(c3ccc(C)cc3)C2=O)cc1 22704197 VZDUZVCTQWINSC-INIZCTEOSA-N 368.433 3.630 0 40 FHAB Cc1cc(Br)cc(C)c1OCC(=O)NCCc1cccs1 28284423 RIUYBBDVFIANEC-UHFFFAOYSA-N 368.296 3.865 0 40 FHAB CC(C)[C@@H](NC(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1cccs1 24318505 RLWMYGCPIGMVAC-MRXNPFEDSA-N 350.528 3.846 0 40 FHAB CC(=O)Nc1ccc(OC(=O)c2ccc(-n3cc[nH]c3=S)cc2)cc1 47536361 MQUKWCUGLONDNE-UHFFFAOYSA-N 353.403 3.712 0 40 FHAB O=C(/C=C/c1cc2c(cc1Br)OCO2)NCc1cccs1 1394645 BFYMNYHSAKLYHD-ONEGZZNKSA-N 366.236 3.569 0 40 FHAB Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1cccnc1 55593090 UOTFYYQLRCRSJL-HUUCEWRRSA-N 351.450 3.760 0 40 FHAB C[C@@H](Sc1nc2ccccc2n1C(F)F)C(=O)NCc1ccco1 43875225 IOJKDIUXZFHLIZ-SNVBAGLBSA-N 351.378 3.821 0 40 FHAB COC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c1 57412275 NVGLMLYPYIPNJF-UHFFFAOYSA-N 355.781 3.769 0 40 FHAB Cc1cc(=O)oc2cc(NC(=O)NC[C@@H](c3cccs3)N(C)C)ccc12 58066995 OEDSFEKBYGSHQI-HNNXBMFYSA-N 371.462 3.587 0 40 FHAB C[C@@H](NC(=O)CCOCc1ccccc1)c1nc(-c2ccc(F)cc2)no1 58223249 RACWESCLLCBVEM-CQSZACIVSA-N 369.396 3.660 0 40 FHAB COc1ccc(-c2cnc(N)nc2NC(=S)Nc2ccccc2)cc1 26953718 WANDQUWLAGQIEQ-UHFFFAOYSA-N 351.435 3.543 0 40 FHAB Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccc(C)cc2C)c1 2412129 RNAXFICMNGDSIX-UHFFFAOYSA-N 373.456 3.620 0 40 FHAB C[C@H](C(=O)c1c[nH]c2ccccc12)n1nnc(-c2ccc(Cl)cc2)n1 36885325 RZBZIFQLXKRBPC-LLVKDONJSA-N 351.797 3.919 0 40 FHAB Cc1nc(C)n([C@H](C)CC(=O)N[C@H]2[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)n1 409412872 WQWTYTKZVQFANT-YQLOYEBCSA-N 352.482 3.545 0 40 FHAB O=C1CCc2cc(OS(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc2N1 12818153 VYGRFQXQQZLHQO-UHFFFAOYSA-N 372.229 3.646 0 40 FHAB CCC[C@@H]1NC(=O)N(CN(C)[C@@H](c2ccccc2)c2ccc(F)cc2)C1=O 12815675 QLZNOLZVSRRYIY-OALUTQOASA-N 369.440 3.525 0 40 FHAB CCOc1ccc2oc(C(=O)OCC(=O)NC3CCCCC3)c(C)c2c1 3520395 PWLHMBBVSQRVPS-UHFFFAOYSA-N 359.422 3.746 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)Nc1cccc(OC[C@H]2CCCO2)c1 12983294 KRDNHJXMVGFDKU-GOSISDBHSA-N 369.417 3.544 0 40 FHAB O=C(CCN1CCSC1=O)Nc1nc(-c2ccc(Cl)cc2)cs1 12971968 RZVAXWFEKMDXDY-UHFFFAOYSA-N 367.883 3.961 0 40 FHAB Cc1cccc(-c2nnc(S)n2CC(=O)N[C@H](C)c2ccc(F)cc2)c1 12976987 ONSJCZSDIPKKNN-CYBMUJFWSA-N 370.453 3.559 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)Cc2noc(-c3ccc(F)cc3)c2C)cc1 12943357 ZBQQFJMLEJXUGD-UHFFFAOYSA-N 374.437 3.918 0 40 FHAB CC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2)o1 3602651 NLCFYWDGFMEYOD-UHFFFAOYSA-N 353.403 3.670 0 40 FHAB Cc1cc(C)cc(NC(=O)CN2CCN(C/C=C\c3ccccc3)CC2)c1 20469956 OODDQJOXQUVTHB-TWGQIWQCSA-N 363.505 3.573 0 40 FHAB Cc1noc2nc(C3CC3)cc(C(=O)N(C)CCOc3ccccc3F)c12 14023612 XIQSUPPFPAIQPA-UHFFFAOYSA-N 369.396 3.699 0 40 FHAB O=c1nc(-c2ccccc2)c(-c2ccccc2)nn1CC1(O)CCCCC1 65510613 XDMIECRIPLXNQW-UHFFFAOYSA-N 361.445 3.668 0 40 FHAB O=C1O[C@@H](Nc2ccccc2I)c2ccccc21 6400095 VRYVMTKIQHJPRO-CYBMUJFWSA-N 351.143 3.572 0 40 FHAB CCn1cc(/C=C/C(=O)Nc2ccn(C34CC5CC(CC(C5)C3)C4)n2)cn1 4652166 VTLBJXIXVORHJN-ONEGZZNKSA-N 365.481 3.677 0 40 FHAB C[C@H](OC(=O)Cc1c(F)cccc1Cl)C(=O)Nc1ccccc1F 5508382 OESVXYJALGPEIU-JTQLQIEISA-N 353.752 3.731 0 40 FHAB Cc1ccc(F)cc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C 4736202 LMVRPYCMMFZQLB-UHFFFAOYSA-N 374.416 3.800 0 40 FHAB CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)c1ccc2nncn2c1 66546029 AVXHMZXIIQVCPX-IBGZPJMESA-N 350.466 3.993 0 40 FHAB CC1=C(C(=O)OCc2ccc(C)cc2)[C@@H](c2cccc(F)c2F)CC(=O)N1 6820093 SKJDHDGZTOFJQX-MRXNPFEDSA-N 371.383 3.894 0 40 FHAB CCc1ccc(OCc2ccc(C(=O)N(CC)Cc3nonc3C)o2)cc1 28235809 QHYKLXLSOHATGP-UHFFFAOYSA-N 369.421 3.775 0 40 FHAB CCOc1ccc(Br)cc1CNc1ccc2[nH]c(=O)[nH]c2c1 4973799 UHFPPKITRSEDQS-UHFFFAOYSA-N 362.227 3.630 0 40 FHAB Cc1sc2ccccc2c1S(=O)(=O)Nc1noc(C(C)(C)C)n1 96001687 GRAIIHQRZPRLFT-UHFFFAOYSA-N 351.453 3.691 0 40 FHAB COc1ccc2c(CSc3nc(-c4cccs4)n[nH]3)cc(=O)oc2c1 6947096 ULSRMGDPSGBMNY-UHFFFAOYSA-N 371.443 3.941 0 40 FHAB COc1ccc([C@@H](C)NC(=O)c2cc(Cl)c3c(c2)OCO3)cc1F 7076484 XUDBLKYLGJWUHX-SECBINFHSA-N 351.761 3.707 0 40 FHAB CC(=O)N(c1ccccc1)c1nc(CSc2nnc(N)s2)cs1 7534297 XMUYAZSNWIEMHN-UHFFFAOYSA-N 363.493 3.554 0 40 FHAB Cc1cccc(N2N=C(C(=O)Nc3ccc(F)cc3Cl)CCC2=O)c1 9478269 UYQQWUNATHXNJS-UHFFFAOYSA-N 359.788 3.909 0 40 FHAB O=C(CSc1nnnn1Cc1ccccc1)c1cccc2ccccc12 9494066 ZIOFUZCJFNEFSO-UHFFFAOYSA-N 360.442 3.850 0 40 FHAB COc1cccc(CC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)c1 7780202 FAABHIPMPJDDGA-UHFFFAOYSA-N 367.445 3.938 0 40 FHAB CCc1ccc(NC(=O)CCc2c(C)[nH]n(-c3ccc(F)cc3)c2=O)cc1 16206050 ANZREPIQGFHSHT-UHFFFAOYSA-N 367.424 3.747 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cnn(C(F)F)c1 96999875 WSSHUGMZTDLPDN-SSDOTTSWSA-N 350.152 3.991 0 40 FHAB C[C@H]1CN(C(=O)/C=C/c2ccccc2)[C@H](C)CN1C(=O)/C=C/c1ccccc1 17076651 STPCOHFWYMIWLU-PDJKUJGDSA-N 374.484 3.861 0 40 FHAB CS(=O)(=O)Cc1cccc(NC(=O)Nc2ccccc2C(F)(F)F)c1 69414018 UCWNMTRMMRJXKV-UHFFFAOYSA-N 372.368 3.894 0 40 FHAB COCC(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccccc2C)CC1 69737443 FIFXCFPTMRJWHR-OAQYLSRUSA-N 358.526 3.625 0 40 FHAB O=C(NCc1ccco1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408676281 MWXXPEUZMDECEF-UHFFFAOYSA-N 362.360 3.838 0 40 FHAB COc1ccc(-n2ccc(CNC(=O)[C@@H]3[C@@H](C=C(C)C)C3(C)C)n2)cc1 84671036 FDITULYCKAKVHI-MOPGFXCFSA-N 353.466 3.736 0 40 FHAB Cn1nc(Br)c2c(NC(C)(C)CCc3ccccc3)ncnc21 79099031 DHSOWDGFKIKYGL-UHFFFAOYSA-N 374.286 3.949 0 40 FHAB O=S(=O)(Cc1ccc(Cl)cc1Cl)NCCc1cccs1 95454494 XGMOJMWXHWLVMO-UHFFFAOYSA-N 350.292 3.717 0 40 FHAB Cc1cc(Br)ccc1NCc1cc(=O)n2c(C)csc2n1 9945536 JOUQRJCXQYIEGQ-UHFFFAOYSA-N 364.268 3.747 0 40 FHAB Cn1cnnc1[C@H]1CCCN(Cc2ncc(-c3cccc(Cl)c3)o2)C1 89761913 HOIHZVPHOGGZIG-AWEZNQCLSA-N 357.845 3.503 0 40 FHAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)ccc1C 408602097 HSKVTRINQFSNSX-UHFFFAOYSA-N 366.870 3.507 0 40 FHAB CCc1ccccc1NC(=O)C[C@@H]1C(=O)N(C2CC2)c2nc3ccccc3n21 39964126 YTHLAVHLTTWJAH-LJQANCHMSA-N 374.444 3.678 0 40 FHAB COc1cccc(-n2ccnc2S[C@@H](C)C(=O)N2CCCCCC2)c1 21604616 KWBWSBVYKBYPQR-HNNXBMFYSA-N 359.495 3.764 0 40 FHAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3ccc(C(F)(F)F)cc3)C2=O)o1 60346199 AYZAMLTYZHVJRJ-MRXNPFEDSA-N 352.312 3.574 0 40 FHAB CC(C)n1nc(CC(=O)Nc2cccc3c2ccn3C)c2ccccc2c1=O 72401310 JMTMMBNTMGUITB-UHFFFAOYSA-N 374.444 3.650 0 40 FHAB O=C(NCCc1ccccc1)N(CC1CC1)C[C@@H]1CCCN2CCCC[C@@H]12 1565520599 XSWRUVVOPZVZMA-VXKWHMMOSA-N 369.553 3.915 0 40 FHAB biogenic Cc1cccc(Nc2ccc(C3CCN(Cc4cnn(C)c4)CC3)nc2)n1 72374250 DVSRZWFJCJTOLQ-UHFFFAOYSA-N 362.481 3.642 0 40 FHAB O=C(N[C@@H]1CCCc2c1cnn2-c1ccccn1)[C@@H]1C[C@@H]1c1ccccc1 71195690 RHHXNHGQVFCMPF-ZHALLVOQSA-N 358.445 3.565 0 40 FHAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 224326019 JBTCOBPXZFISID-IETOAOCLSA-N 364.445 3.664 0 40 FHAB O=C(CCc1ccc(Cl)cc1Cl)NC[C@@H]1COc2ccccc2O1 225283809 PJZMRLHKKSXGLV-CQSZACIVSA-N 366.244 3.882 0 40 FHAB Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225702201 DQVPWRGOEOLGHT-UHFFFAOYSA-N 362.476 3.753 0 40 FHAB C[C@]1(C(=O)NCCCc2ccc(F)cc2)CC(c2ccccc2F)=NO1 223284883 OLUWHIHJPAGFCR-HXUWFJFHSA-N 358.388 3.597 0 40 FHAB Cc1cc(C)nc(NC(=S)NCC2(c3ccccc3)CCOCC2)c1 224012206 YEGSYYBVRCWLKD-UHFFFAOYSA-N 355.507 3.733 0 40 FHAB Cc1cc(OCC(=O)Nc2ccc(Cl)cc2)nc(N2CCC[C@@H](C)C2)n1 44168806 BSSIIVGTEYWRLV-CYBMUJFWSA-N 374.872 3.692 0 40 FHAB CC[C@@H](O)Cn1nc(-c2ccc(C(=O)O)cc2)cc1-c1ccc(F)cc1 257223064 DVTMNJOYVCSWCD-QGZVFWFLSA-N 354.381 3.825 0 40 FHAB Cc1ncsc1-c1nccnc1C[C@H]1CCCN(C(=O)C(C)(C)C)C1 257293549 QQAKRSTWFLQMQR-CQSZACIVSA-N 358.511 3.736 0 40 FHAB COc1cc(C)c(C(=O)[C@@H](Br)CBr)cc1C 382674679 LHKUXMZXEGHZJZ-JTQLQIEISA-N 350.050 3.653 0 40 FHAB NS(=O)(=O)c1cc(NCc2ccc(-c3ccc(F)cc3)s2)cs1 1179402698 ZMUQVHPBKFIAMU-UHFFFAOYSA-N 368.480 3.875 0 40 FHAB O=C(c1ccnn1C1CCCC1)N1CCC(c2c[nH]c3ncccc23)CC1 675751150 MGQISOCMPGKDHJ-UHFFFAOYSA-N 363.465 3.894 0 40 FHAB Brc1cnc(OC[C@H]2CCCN(Cc3ccccc3)C2)nc1 1775995791 IXVWYEJPXPVEJA-HNNXBMFYSA-N 362.271 3.530 0 40 FHAB CC[C@@H](C)n1ncc2c(C(=O)O)cc(/C=C/c3cn(C4CCC4)nn3)nc21 656613120 GOFSQRLEGVJLOC-ABZNLYFFSA-N 366.425 3.587 0 40 FHAB CCN1C(=O)CC[C@@H](C(=O)NCCc2cccc(C)c2)[C@@H]1c1ccccc1 585168478 YCTANLMBZXOBKM-IRLDBZIGSA-N 364.489 3.654 0 40 FHAB CC(C)c1ccc(O[C@H](C)CNC(=O)N2CCC(O)(C3CC3)CC2)cc1 585099420 FOIDKZNKJLYNPJ-MRXNPFEDSA-N 360.498 3.524 0 40 FHAB O=C(NCc1ccccc1N1CCCCC1)N[C@@H]1CCc2c(O)cccc21 679378502 KAFVQEKEHYFNRD-LJQANCHMSA-N 365.477 3.869 0 40 FHAB CN(CCc1cnccn1)C(=O)N[C@H]1CC(C)(C)CCc2ccccc21 685052298 LGKLPNFKMHSZPQ-IBGZPJMESA-N 352.482 3.764 0 40 FHAB CCCCOC(=O)CC[C@H](CC(=O)OCCCC)C(=O)OCCCC 5552554 BTGZLRVENLYOBI-MRXNPFEDSA-N 358.475 3.803 0 40 FHAB CCn1c(=O)n(CC)c2cc(NC(=O)C3(c4ccccc4F)CC3)ccc21 12198104 ISXWTSVPGNTILX-UHFFFAOYSA-N 367.424 3.652 0 40 FHAB CC(C)n1cc(C(=O)N2[C@@H]3CC[C@@H](C3)[C@@H]2COc2ccc(F)cc2)cn1 12220630 SIZLQLKLMQSUJX-YJLNNSPDSA-N 357.429 3.675 0 40 FHAB COc1ccc(/C=C2/N=C(c3ccccc3Cl)OC2=O)c(OC)c1OC 1511308 SWLDNCGBVSRNQH-GXDHUFHOSA-N 373.792 3.710 0 40 FHAB COc1cccc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)c1OC 5376162 YLKQRYKIZBHAKH-DHDCSXOGSA-N 357.387 3.650 0 40 FHAB CC(C)(CCC(=O)O)NC(=O)COC1c2ccccc2-c2ccccc21 604220534 ASKKKBVPEXWVLV-UHFFFAOYSA-N 353.418 3.533 0 40 FHAB COc1cc(OC)cc([C@H](C(=O)O)N2CCc3ccccc3C(C)(C)C2)c1 656758348 GHRMPGNBNKLQOS-HXUWFJFHSA-N 369.461 3.665 0 40 FHAB C[C@@H](c1ccccc1)N(C)C(=O)COC(=O)/C=C/c1nc2ccccc2o1 7157592 MTIQNSNBMXVENF-LHNRBYRGSA-N 364.401 3.604 0 40 FHAB O=C(Cc1csc(-c2ccccc2Cl)n1)NCCc1ccccn1 12526871 DJJJPFGDCHHTBU-UHFFFAOYSA-N 357.866 3.760 0 40 FHAB c1ccc2c(NC[C@@H]3CCCO3)nc(SCc3ccncc3)nc2c1 2948676 VFOQREXAYBPYOX-HNNXBMFYSA-N 352.463 3.908 0 40 FHAB Cc1cc(C)cc(N(C(=O)CCc2ccccc2)[C@H]2C=CS(=O)(=O)C2)c1 4165601 XTKBOQPVWJGUHC-IBGZPJMESA-N 369.486 3.580 0 40 FHAB COCC(=O)Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12 4353808 OBJLUTRJFOLYQX-UHFFFAOYSA-N 360.316 3.548 0 40 FHAB CCOc1ccc(OCCNC(=O)c2cccc(C(F)(F)F)c2)cc1 7037438 XNLUONIWPBAFIN-UHFFFAOYSA-N 353.340 3.913 0 40 FHAB CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cn(C)nc1OC 12422653 KAFQJRXSAIQIJN-UHFFFAOYSA-N 363.874 3.653 0 40 FHAB CCOC(=O)Nc1nc(CC(=O)Nc2ccccc2SC)cs1 12881499 FEJIDHQXXRKVGW-UHFFFAOYSA-N 351.453 3.615 0 40 FHAB CCn1c(=O)n(CC(=O)Nc2c(C)cccc2C(C)C)c2ccccc21 10410210 VNXRGONHLCWFSX-UHFFFAOYSA-N 351.450 3.893 0 40 FHAB Cc1cc([C@@H](C)NC(=O)[C@H](C)NC(=O)OCc2ccccc2)c(C)s1 40080910 FCKLRINQIZEZFT-KGLIPLIRSA-N 360.479 3.857 0 40 FHAB CCOC(=O)CC[P@](=O)(O)[C@H](NCc1ccccc1)c1ccccc1 20029153 PEJCPFZLPNIYPP-IBGZPJMESA-N 361.378 3.699 0 40 FHAB Cc1noc(C2CCN(c3nc(C)nc4sc5c(c34)CCC5)CC2)n1 40156379 AODHYDIRGRHNOF-UHFFFAOYSA-N 355.467 3.564 0 40 FHAB CN1CCc2c(sc3[nH]c(=S)n(-c4cccc(Cl)c4)c(=O)c23)C1 20289164 UBBTZJAIBRWIBV-UHFFFAOYSA-N 363.895 3.751 0 40 FHAB CC[C@@]1(C)Cc2nc3nc(S)n(-c4ccc(C)cc4)c(=O)c3cc2CO1 100895082 HPIKFZCADMHNBF-FQEVSTJZSA-N 367.474 3.619 0 40 FHAB Cc1nc2oc(C(=O)Nc3ccccc3)c(N)c2c2c1COC(C)(C)C2 31819613 VFGLZOIIYABTOY-UHFFFAOYSA-N 351.406 3.822 0 40 FHAB CN(Cc1ccccc1)C[C@H](O)Cn1c(C(F)(F)F)nc2ccccc21 60343650 WIYHIGVTWYZILZ-HNNXBMFYSA-N 363.383 3.548 0 40 FHAB COc1ccc(C(=O)CSc2nnc(-c3cccs3)o2)c(OC)c1 2648151 QWEYQXRHNBZACC-UHFFFAOYSA-N 362.432 3.790 0 40 FHAB CCSc1nc2ccccc2c(=O)n1CCc1ccc(OC)c(OC)c1 908360 CAQVTUKAUUEZNY-UHFFFAOYSA-N 370.474 3.768 0 40 FHAB COc1ccc(-c2csc(N3C(=O)CS[C@H]3c3ccncc3)n2)cc1 1087330 JXXNAHCPWCWYCY-KRWDZBQOSA-N 369.471 3.992 0 40 FHAB CCN(CC)C(=O)CSc1nnc2c(n1)[nH]c1ccc(C(C)C)cc12 1366242 CNSYMWLTXNWJEA-UHFFFAOYSA-N 357.483 3.590 0 40 FHAB Cc1ccc(Cc2cnc(NC(=O)Cc3c(C)nn(C)c3C)s2)cc1F 32817107 RFYBEPRNGULRBM-UHFFFAOYSA-N 372.469 3.713 0 40 FHAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)C1(C)C 32888981 OHZQFKZWNQQQDQ-SJORKVTESA-N 351.454 3.852 0 40 FHAB O=C1CC2(CCN(C(=O)Cc3ccc(Cl)cc3)CC2)Oc2ccccc21 4505618 FKJRIOHBMNHPKK-UHFFFAOYSA-N 369.848 3.909 0 40 FHAB CCc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)cc1 6544162 SZOUOWXNXPBTKQ-UHFFFAOYSA-N 353.447 3.954 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1cn2c(C)cccc2n1 32950660 XOMYOLNEKBODNM-AWEZNQCLSA-N 361.401 3.861 0 40 FHAB O=C(O)c1cc(S(=O)(=O)CCc2ccccc2)c(Cl)cc1Cl 2786186 KHENKESAMYUTLW-UHFFFAOYSA-N 359.230 3.708 0 40 FHAB CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H]2c2cccs2)c1 32988679 TYWHCJLAWXZQHM-CQSZACIVSA-N 369.895 3.782 0 40 FHAB COc1cc(NC(=O)c2ccccc2)ccc1N1C(=O)c2ccccc2C1=O 8111609 QRMWYASGFMIVNW-UHFFFAOYSA-N 372.380 3.748 0 40 FHAB COc1ccc(C[C@@H]2SC(=O)N(Cc3ccccc3)C2=O)c(OC)c1 8115213 CEPSKMYVVUKLRJ-KRWDZBQOSA-N 357.431 3.511 0 40 FHAB Cc1ccc(C)c(NC(=O)COC(=O)CCC(=O)c2ccc(C)s2)c1 8408810 ZZXWGQIYIPHZOF-UHFFFAOYSA-N 359.447 3.818 0 40 FHAB Cc1ccccc1Cn1nc(C)c(NC(=S)Nc2cnn(C)c2C)c1C 2803200 ZULHXJNQRJSQMG-UHFFFAOYSA-N 368.510 3.707 0 40 FHAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCCc1ccccc1 644672 OACZVGOXRMQWCB-UHFFFAOYSA-N 353.871 3.568 0 40 FHAB c1nc(NCCc2ccc3c(c2)OCO3)c2c3c(sc2n1)CCCC3 934419 QQQIPUNVNPPRRP-UHFFFAOYSA-N 353.447 3.953 0 40 FHAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccc(Cl)cc1Cl 23555637 OETGPEIXYKAFIQ-VXGBXAGGSA-N 369.292 3.962 0 40 FHAB CCn1c2ccccc2c2cc(NC(=O)CN3C[C@H](C)O[C@H](C)C3)ccc21 12598752 LNDYRHZGYIPTNU-IYBDPMFKSA-N 365.477 3.862 0 40 FHAB Cn1c(=O)c2c(c3ccccc31)OC(=O)C[C@H]2c1ccccc1C(F)(F)F 1427617 YHZCGQNQJAZTII-ZDUSSCGKSA-N 373.330 3.998 0 40 FHAB Cc1ccnc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1 27647884 JKQQITJQUOJNOW-UHFFFAOYSA-N 355.401 3.890 0 40 FHAB C[C@H](C(=O)Nc1cccc(Br)c1)n1cc(Br)cn1 28223941 KLRKZKRQGYFFJW-MRVPVSSYSA-N 373.048 3.608 0 40 FHAB COCc1ccccc1C(=O)NCCc1ccc(F)c(Br)c1 55865886 XQAMCQICURVOGQ-UHFFFAOYSA-N 366.230 3.707 0 40 FHAB Cc1c(NC(=O)[C@H]2C[C@H]2C)cccc1C(=O)N1CCc2sccc2C1 26405266 WFFAZZPVAXLJAW-WBMJQRKESA-N 354.475 3.850 0 40 FHAB COc1ccc(C(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)cc1 3234762 FHAPBWWZZKYTHV-UHFFFAOYSA-N 374.392 3.966 0 40 FHAB Cc1cccc(C)c1NC(=O)COC(=O)c1c(F)c(F)c(F)c(F)c1F 3219482 FYWMHYSRWGWZRI-UHFFFAOYSA-N 373.277 3.794 0 40 FHAB O=C(c1ccccc1Cl)N1CCN(Cc2cccc3cccnc23)CC1 22515716 RPGWPAKVUXJNCQ-UHFFFAOYSA-N 365.864 3.846 0 40 FHAB Cc1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c(C)cc1Br 27824082 RNZAVOPWXKJEMT-GHMZBOCLSA-N 360.317 3.733 0 40 FHAB CCCCCn1c(N)c(C(=O)N[C@@H](C)CC)c2nc3ccccc3nc21 2265830 HCSRCTUCHLUSOL-ZDUSSCGKSA-N 353.470 3.885 0 40 FHAB CCCOc1ccc(N2C(=O)C[C@H](NCc3ccc(Cl)cc3)C2=O)cc1 2210295 OKUKSUSIOFHIKJ-SFHVURJKSA-N 372.852 3.551 0 40 FHAB CCCCOc1cccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1 28289851 DQWIMJOPIQUNQL-ZDUSSCGKSA-N 354.406 3.837 0 40 FHAB CCc1nc(COC(=O)c2ccc(Cl)cc2N2CCCC2=O)cs1 28440867 ZWKJMGXZOHBHCU-UHFFFAOYSA-N 364.854 3.843 0 40 FHAB COc1ccc(CNC(=O)Cc2c(Cl)cccc2Cl)cc1C(=O)O 12775478 JEVZTRLIHNSXLC-UHFFFAOYSA-N 368.216 3.559 0 40 FHAB CCOC(=O)c1[nH]c2ccccc2c1NC(=O)Nc1ccc(OC)cc1 2355362 UEGDCCQZXNGBKN-UHFFFAOYSA-N 353.378 3.997 0 40 FHAB COc1cc(C(=O)Nc2ccccc2N2CCCC2=O)cc(Cl)c1OC 12867551 YVZWKGONNXIGCK-UHFFFAOYSA-N 374.824 3.736 0 40 FHAB CCn1c(S[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)nnc1-c1ccccc1 12846435 NYTFZGNWDCQGAY-BZUAXINKSA-N 372.538 3.950 0 40 FHAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 21236537 ZYTVINHIFOBHQD-MRXNPFEDSA-N 356.491 3.951 0 40 FHAB O=C(NC1CCN(C(=O)c2ccco2)CC1)c1cc2ccccc2s1 11555811 RINSXGWLYJMKJA-UHFFFAOYSA-N 354.431 3.529 0 40 FHAB COC(=O)C[C@@H](NC(=O)NCCc1ccc(Cl)cc1)c1cccs1 29317165 QHKPLEBQNFBSCT-CQSZACIVSA-N 366.870 3.548 0 40 FHAB Cc1cc(C)c(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c(Cl)c1 12975535 RYXCFYUNTOORBG-UHFFFAOYSA-N 370.836 3.858 0 40 FHAB CCOc1ccc(C2=Nn3c(nnc3-c3ccc(OC)cc3)SC2)cc1 3911149 ZSQMHWNUHDPZAW-UHFFFAOYSA-N 366.446 3.711 0 40 FHAB CCCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C)c1 8845767 BCVIOEPLUTVJQP-FQEVSTJZSA-N 363.417 3.746 0 40 FHAB O=C(NC[C@@H]1CCCO1)[C@@H](Sc1nc2ccccc2[nH]1)c1ccccc1 39383545 LAPBUUBMQYWOJC-YJBOKZPZSA-N 367.474 3.692 0 40 FHAB COC(=O)c1cccc(Nc2c(-c3ccccc3O)nc3cnccn23)c1 65322772 FEAOZSQDYBNACH-UHFFFAOYSA-N 360.373 3.632 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)c3ccccc3F)n2C)cc1 5207983 BDCCFHTYSJNZHK-UHFFFAOYSA-N 357.410 3.605 0 40 FHAB CN1C(=O)/C(=C/c2ccc(C(=O)O)cc2)c2cc(Br)ccc21 4465419 VHUNHMHUNCOJPE-RIYZIHGNSA-N 358.191 3.664 0 40 FHAB CCN(CC)C(=O)c1cccc(NC(=O)C2=Cc3ccccc3OC2)c1 14018099 DJMXBKFMAXDHSH-UHFFFAOYSA-N 350.418 3.583 0 40 FHAB CCCCn1nc(C(=O)Nc2ccc(OCC)cc2)c2ccccc2c1=O 5558816 OZXDQODOYPPVRN-UHFFFAOYSA-N 365.433 3.848 0 40 FHAB CC(C)Cc1ccc([C@@H](C)NC(=O)CCNC(=O)c2ccccc2)cc1 6602759 SNHKNULPDWSDGV-QGZVFWFLSA-N 352.478 3.882 0 40 FHAB COc1cccc(CC(=O)N2CCc3ccc(NC(=O)C4CCC4)cc32)c1 66412514 XXVHOMQXWGXXLW-UHFFFAOYSA-N 364.445 3.566 0 40 FHAB CCN(CC)C(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 14834664 CQRKQNCFTZGZLI-MRXNPFEDSA-N 354.450 3.883 0 40 FHAB Brc1cc2c(cc1CSc1nnc3ccccn13)OCO2 6879931 PIPHTDPJELKUKA-UHFFFAOYSA-N 364.224 3.513 0 40 FHAB COc1ccc(C2=NO[C@@H](c3cc(OC)c4c(c3OC)OCO4)[C@@H]2C)cc1 15081346 ZHOGSJIHBLCZFT-PIGZYNQJSA-N 371.389 3.553 0 40 FHAB CC(=O)Nc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 6931785 XLGFWVJAMSXUJT-UHFFFAOYSA-N 371.868 3.569 0 40 FHAB C[C@H](OC(=O)c1csc(-c2ccccc2)n1)C(=O)NC1CCCCC1 7162402 CRLKBOKLPMLALW-ZDUSSCGKSA-N 358.463 3.804 0 40 FHAB Cc1nc(NC(=O)[C@@H](C)Sc2nnc(C)n2-c2ccccc2)sc1C 7458931 LJMNIKXXZXEBFY-GFCCVEGCSA-N 373.507 3.768 0 40 FHAB O=C(/C=C/c1cnc2ccccc2n1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 9318084 INPGYFOIHXUVEX-YVNCXZRQSA-N 369.428 3.883 0 40 FHAB CCCC(=O)Nc1ccc(O)c(C(=O)C[C@@H]2OC(=O)c3ccccc32)c1 7636254 DYGYDJZSPAOQPF-SFHVURJKSA-N 353.374 3.615 0 40 FHAB S=C(Nc1ccc(Oc2ccccc2)cc1)N[C@@H]1CN2CCC1CC2 7989871 SHAQOSUHSIUKEG-LJQANCHMSA-N 353.491 3.860 0 40 FHAB Cc1noc(C)c1CC(=O)N1CCC(c2nc3ccccc3s2)CC1 8073063 HBKSVGJHWROHLP-UHFFFAOYSA-N 355.463 3.850 0 40 FHAB O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccnn1C1CCCC1 8230236 NDWNWSJQYWMTII-UHFFFAOYSA-N 374.495 3.576 0 40 FHAB O=C(CSc1ncccc1C(=O)O)Nc1cccc(C(F)(F)F)c1 8378323 NPAURVJDXYONPJ-UHFFFAOYSA-N 356.325 3.529 0 40 FHAB COC(=O)c1[nH]c2ccc(C)cc2c1NS(=O)(=O)c1ccc(C)cc1C 17822358 VVLQKHCUWYDSIK-UHFFFAOYSA-N 372.446 3.681 0 40 FHAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc2ncsc2c1 9709553 GJBUVAHVEMPDKH-UHFFFAOYSA-N 362.418 3.537 0 40 FHAB O=C(COC(=O)c1ccccc1Cl)N[C@H](c1ccccc1)c1ccco1 9883563 MVNKCVMIEPJQLP-LJQANCHMSA-N 369.804 3.996 0 40 FHAB C[C@@H]1CCN(C(=O)c2nnn(-c3cccc(F)c3)c2C2CC2)CC1(C)C 95940365 CFGMLQREVJYDSE-CYBMUJFWSA-N 356.445 3.792 0 40 FHAB Cc1ccc(NC(=O)C2=Cc3ccccc3OC2)c(OC[C@@H]2CCCO2)c1 89623781 GVLHKWOBMGDXEG-SFHVURJKSA-N 365.429 3.967 0 40 FHAB COc1cc(C=O)cc(Br)c1OCc1ccc2c(c1)OCO2 408850166 HHROPIHDUPKRMK-UHFFFAOYSA-N 365.179 3.578 0 40 FHAB CCCCCCOc1ccc(N2C(=O)C[C@H](NCc3ccco3)C2=O)cc1 20582449 BHMAQRJQOHDSFC-IBGZPJMESA-N 370.449 3.660 0 40 FHAB O=C(Nc1cc2[nH]c(O)nc2cc1Br)c1ccccc1Cl 408528551 HWHVQLPNQBUSBE-UHFFFAOYSA-N 366.602 3.937 0 40 FHAB Cc1nc(-c2ccccc2Cl)sc1C(=O)N1CCC(C(=O)O)CC1 31864304 LPSUZDGHIDWAHA-UHFFFAOYSA-N 364.854 3.709 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)NCCSCc1ccccc1F 219495957 OGJIGQNBGGLCTL-AWEZNQCLSA-N 363.454 3.651 0 40 FHAB O=C(c1cnccn1)N1CCC[C@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1 72380304 DFWKDBJGAFVNLN-AWEZNQCLSA-N 367.840 3.540 0 40 FHAB CN(CCc1ccccn1)c1ncc(-c2cnccn2)c(-c2cccs2)n1 72338720 CNUAWBQGDMNDCH-UHFFFAOYSA-N 374.473 3.736 0 40 FHAB COc1ccc(Oc2cc(C)nc([C@H]3CCCN3Cc3ncc[nH]3)n2)cc1 72384337 NKZQUFWKNQMFNZ-QGZVFWFLSA-N 365.437 3.646 0 40 FHAB Cc1nn(-c2ccc(C(=O)NCc3ccccc3Cl)cn2)c(C)c1C 49407405 XZJCYDMGFDYJKM-UHFFFAOYSA-N 354.841 3.776 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C 224879550 YOUFJRPOANTREN-QGZVFWFLSA-N 370.468 3.620 0 40 FHAB O=C1CN[C@@H](c2cccc(Cl)c2)c2cc(Br)ccc2N1 225537104 YDWWTLPDMXYVJO-HNNXBMFYSA-N 351.631 3.734 0 40 FHAB O=C(c1cn2ccccc2n1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 40162212 XAXKHWXHGOBZMS-UHFFFAOYSA-N 363.417 3.648 0 40 FHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(C(C)C)c1C 223004313 PUIHTUGXSYLTEK-MOPGFXCFSA-N 372.538 3.700 0 40 FHAB Cc1ccc(NC(=O)N[C@@H](C)c2ccccc2Cl)cc1-n1cnnn1 44246647 ABRQWGHQMRABKW-LBPRGKRZSA-N 356.817 3.507 0 40 FHAB COc1nc(SC)ncc1/C=C1/SCCN1C(=O)c1ccccc1C 225240162 JWEYVEGTGKYULJ-XNTDXEJSSA-N 373.503 3.703 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c(C)c1 222718072 SWHKPWNGXWHYDK-HOTGVXAUSA-N 355.434 3.719 0 40 FHAB COc1ccc(CN2CC[C@]3(C[C@H](Nc4cccc(F)c4)CO3)C2)cc1 96047596 QQTZKGMAIOOPOE-FPOVZHCZSA-N 356.441 3.680 0 40 FHAB Cc1ccccc1C(=O)N1CC[C@@]2(C[C@@H]2C(=O)Nc2cccc(F)c2)C1 96227245 WJOCFDGXEKMJNZ-WIYYLYMNSA-N 352.409 3.625 0 40 FHAB COc1cc(OC)cc([C@H](C(=O)O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c1 583089889 PNXLHCIGEFTYNA-JOTOCRJQSA-N 373.424 3.847 0 40 FHAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(N(C)C)cc4)OCC[C@@]31C2 257223706 DYOJOXXPQLIYJL-ZEWLQOSNSA-N 356.510 3.771 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)[C@H]1C[C@H]2C=C[C@H]1C21CC1 253479412 QHCPPUOIEZOESK-MOXGXCLJSA-N 365.452 3.847 0 40 FHAB Cc1c[nH]c(-c2cc([C@@H]3CCCN(C(=O)c4ccccc4)C3)nc(C)n2)n1 257235133 GWPHRGUBMGRECX-QGZVFWFLSA-N 361.449 3.503 0 40 FHAB Cn1cc([C@H](NC(=O)N[C@H]2CCCC23CCCCC3)C(F)(F)F)cn1 666903167 XYRMEOYGHPMQBQ-KBPBESRZSA-N 358.408 3.826 0 40 FHAB Cc1csc(C(=O)N2CC[C@@H](Oc3ccncc3Br)C2)c1 1776001724 IFTWXQNBPDFUNO-LLVKDONJSA-N 367.268 3.508 0 40 FHAB CCN1C(=O)CC[C@@H](C(=O)NCc2ccccc2C)[C@@H]1c1ccccc1 585168461 AZJIWQGZWXHITE-CTNGQTDRSA-N 350.462 3.611 0 40 FHAB CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 58429498 JJBCMYZDQLKMHN-KZNAEPCWSA-N 363.546 3.635 0 40 FHAB O=C(c1ccc(-c2ccccc2)s1)N1CCOC[C@H]1C[C@@H]1CCCO1 1611547601 NSTPXJRSERFHTK-SJORKVTESA-N 357.475 3.825 0 40 FHAB CC1(C)C[C@@]2(CCCN2C(=O)c2ccccn2)CN1c1ccc(F)cc1 1615120122 KQTVOVCGRKAKCZ-NRFANRHFSA-N 353.441 3.884 0 40 FHAB COc1cccc(-c2[nH]ncc2CN(C)Cc2cc(O)nc3ccccc23)c1 12147128 QHJHGRDYMWQPIO-UHFFFAOYSA-N 374.444 3.971 0 40 FHAB Cc1ccc(-c2csc(NC(=O)CCN3CCSC3=O)n2)cc1C 12972043 KQYSAPCYMYPMTG-UHFFFAOYSA-N 361.492 3.924 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 12973749 VUIPXPUUNJNSRE-SFHVURJKSA-N 363.866 3.972 0 40 FHAB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C/c1cccc(Cl)c1)CC3 15352815 MJEFMZTXJPHJAM-XYOKQWHBSA-N 352.777 3.692 0 40 FHAB Cc1ccc(-c2nc(SCc3ccccc3)[nH]c(=O)c2CCO)cc1 16981389 MMKBRXXCKNYUMD-UHFFFAOYSA-N 352.459 3.572 0 40 FHAB in-vivo C[C@@H](C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1)n1cc(Cl)cn1 19078225 SQLMICHOTIXCOY-UONOGXRCSA-N 365.836 3.554 0 40 FHAB O=C(CCc1ccccc1)N[C@H]1CCCc2nc(-c3ccncc3)ncc21 19370931 IHHMJZQSHBUIBH-IBGZPJMESA-N 358.445 3.665 0 40 FHAB CCN1CCC[C@H]1CN(Cc1ccc(OC)c(OC)c1)Cc1ccccn1 19527126 IYYOJVLSGIZSOZ-FQEVSTJZSA-N 369.509 3.585 0 40 FHAB c1ccc(-c2cn3nc(-c4ccccn4)c(-c4ccccn4)nc3n2)cc1 19657222 NPCDOGDVDAUOKV-UHFFFAOYSA-N 350.385 3.915 0 40 FHAB Cc1ncc(CN2CC[C@@H](c3cc(COc4ccccc4)[nH]n3)C2)s1 19704287 MBJNDXMGPFHYJO-OAHLLOKOSA-N 354.479 3.743 0 40 FHAB Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)COc1c(C)nn(C)c1C 153007756 WNZMNZNMKXNQTQ-AWEZNQCLSA-N 364.515 3.524 0 40 FHAB Cc1cc(C(=O)N2[C@H]3CC[C@H]2CC(S(=O)(=O)c2ccccc2)C3)c(C)o1 101323136 ZAXHZMYMIJASPD-HOTGVXAUSA-N 373.474 3.506 0 40 FHAB Cc1nc(Cl)c(Cl)n1CCS(=O)(=O)c1ccc(Cl)cc1 2157729 NGXIWEWRHIXOEY-UHFFFAOYSA-N 353.658 3.626 0 40 FHAB COc1c2c(cc3c1[C@@H](CC(=O)[C@@H]1CC=C(C)CC1)N(C)CC3)OCO2 33348726 XPECFPNIEZESQR-GDBMZVCRSA-N 357.450 3.659 0 40 FHAB biogenic COc1ccc(-c2cnc(SCCNC(=O)c3ccc(F)cc3)[nH]2)cc1 4315461 OCKLXVCWZQWTOC-UHFFFAOYSA-N 371.437 3.747 0 40 FHAB Cc1ccc2nc(N(CCN(C)C)C(=O)COc3ccccc3)sc2c1 4359116 KSSCPBKYPSZEJR-UHFFFAOYSA-N 369.490 3.578 0 40 FHAB COCCn1c(SCc2ccccc2)nc2c([nH]c3ccccc32)c1=O 5106668 JYVUEVQDFFPUGB-UHFFFAOYSA-N 365.458 3.817 0 40 FHAB O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@@H](Oc2ncccn2)C1 575611644 FHYOTWAWZABCJU-GFCCVEGCSA-N 366.343 3.571 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)c1 40143365 PDDNOJLLBVAHLR-UHFFFAOYSA-N 374.400 3.666 0 40 FHAB Cc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)n1 40143991 RDZMHUBFLUWKIV-UHFFFAOYSA-N 373.459 3.505 0 40 FHAB C[C@H](NC(=O)c1cc(Cl)ccc1-n1cnnn1)c1cc2ccccc2o1 32712910 KJWKPDNCOOOAIG-NSHDSACASA-N 367.796 3.553 0 40 FHAB Cc1sc(NC(=O)C2CCCCC2)nc1-c1ccc2c(c1)NC(=O)CO2 11904312 BCHGHRDKRGDIEQ-UHFFFAOYSA-N 371.462 3.968 0 40 FHAB COC(=O)CSc1nnc(-c2ccccc2)n1-c1cccc(Cl)c1 899831 SYVWLTLRIQYPAA-UHFFFAOYSA-N 359.838 3.853 0 40 FHAB CC(=O)c1ccc(C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)s1 32776826 ODLIIOPWLMXFTI-UHFFFAOYSA-N 368.410 3.903 0 40 FHAB Cc1cc(C(F)(F)F)nn1CC(=O)N1c2ccc(F)cc2CC[C@@H]1C 2762023 QJESCNHSYLPSOX-JTQLQIEISA-N 355.335 3.717 0 40 FHAB O=C(COC(=O)COc1ccc2ccccc2c1)Nc1ccccc1F 3316621 YUNNTGMZPITTBF-UHFFFAOYSA-N 353.349 3.540 0 40 FHAB CCOc1ccc(NC(=O)CSc2nc3cccnc3n2CC)cc1 4093110 MBMXKPIMFYUDLP-UHFFFAOYSA-N 356.451 3.581 0 40 FHAB CC(C)N1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccccc3)[C@@H]2C1=O 4166114 SCJYZGKOFOCAKS-KSZLIROESA-N 370.836 3.595 0 40 FHAB O=C(CCCCC(=O)OCCC[C@H]1CCCO1)OCCC[C@H]1CCCO1 4684106 XTNYFARPUNLMRF-QZTJIDSGSA-N 370.486 3.552 0 40 FHAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 7150277 WTSCUZFIXIMVEU-UHFFFAOYSA-N 350.796 3.889 0 40 FHAB CCc1cccc(C)c1NC(=O)CCNC(=O)/C=C/c1ccc(OC)cc1 7652908 OPRMZIOGBIYGNN-JLHYYAGUSA-N 366.461 3.724 0 40 FHAB CCOc1ccc(CCNC(=O)COc2cc(C)cc(C)c2)cc1OCC 7671018 QJQUVYPTNURCCE-UHFFFAOYSA-N 371.477 3.839 0 40 FHAB COC(=O)[C@@H](C)Sc1nnc(Cc2ccccc2)n1-c1ccccc1 12105305 FAAXHBKQKSXRNM-CQSZACIVSA-N 353.447 3.512 0 40 FHAB CCN(Cc1ccccc1)C(=O)[C@H](C)Sc1nncn1-c1ccccc1 21956229 BGTJDUVCAZCCHH-INIZCTEOSA-N 366.490 3.797 0 40 FHAB CCOc1ccc2nc(NC(=O)CCc3c(C)nn(C)c3C)sc2c1 10815717 OWRPQGGNDHCOLC-UHFFFAOYSA-N 358.467 3.617 0 40 FHAB Cc1ccc([C@@H](CNC(=O)c2ccc(O)c(Cl)c2)N2CCCC2)cc1 61633777 UUQKHUDAISGMES-GOSISDBHSA-N 358.869 3.921 0 40 FHAB CCOC(=O)c1c(NC(=O)c2cccnc2Cl)sc(C(C)=O)c1C 668391 QKTHHLRPCJXWON-UHFFFAOYSA-N 366.826 3.737 0 40 FHAB CCc1cc2c(COC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)cc(=O)oc2cc1O 103425554 WCKQZXBNVCHEBW-QEJZJMRPSA-N 356.418 3.931 0 40 FHAB COc1ccccc1NC(=O)CSc1nnc(Cc2ccc(C)cc2)o1 9199031 OJSSTWDKTKVPGV-UHFFFAOYSA-N 369.446 3.708 0 40 FHAB Cc1[nH]c2ccc(C(=O)O[C@H](C)C(=O)NCc3ccccc3)cc2c1C 9551904 QQMRGTAUSWOMBH-OAHLLOKOSA-N 350.418 3.646 0 40 FHAB Cn1cc(NC(=O)Cn2ccc3ccc(OCc4ccccc4)cc32)cn1 61718386 GNZFGFKROVOKFO-UHFFFAOYSA-N 360.417 3.593 0 40 FHAB Cc1ccc2nc(SCc3cccc(C(F)(F)F)c3)nc(=O)n2c1 3134608 OQOMNFKPHLZZFF-UHFFFAOYSA-N 351.353 3.709 0 40 FHAB C[C@@H](NC(=O)CN1C(=O)CSc2ccccc21)c1cccc(Cl)c1 23299649 RUIGEEQFGSUQBW-GFCCVEGCSA-N 360.866 3.656 0 40 FHAB COc1ccc(NC(=O)NCC[C@@](O)(c2ccc(C)o2)C(F)(F)F)cc1 12553258 RMVQVYSJVVRHMN-MRXNPFEDSA-N 372.343 3.558 0 40 FHAB Cc1ccc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cn1 23437846 DZTGLQCZYVGLBM-OAHLLOKOSA-N 353.447 3.826 0 40 FHAB O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1nc2c(s1)CCC2 24862731 LGMAUIITXMXLMH-UHFFFAOYSA-N 365.458 3.544 0 40 FHAB CSc1ccc(N2C[C@H](C(=O)NCCC3=CCCCC3)CC2=O)cc1 25095637 WFOAEYSGNGEVSK-MRXNPFEDSA-N 358.507 3.768 0 40 FHAB C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(OCc2ccccc2)cc1 24929280 HWYPPOKNZSROJI-OAHLLOKOSA-N 354.450 3.755 0 40 FHAB CC1(C)C[C@@H]2C[C@](C)(CN2Cc2c(O)occ(CN3CCCCC3)c2=O)C1 100797367 BGMYQYRUPAWSIA-VGSWGCGISA-N 374.525 3.732 0 40 FHAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccc(Cl)cc1Cl 27555379 NZUFNHLHBIUDOU-SNVBAGLBSA-N 371.289 3.592 0 40 FHAB O=C(NCc1nc2ccccc2s1)c1ccc2c(O)[nH]c(=S)nc2c1 48265704 LKPMNEPXYKGOGF-UHFFFAOYSA-N 368.443 3.538 0 40 FHAB O=C(COC(=O)c1cccc(Cl)c1)NCCc1ccc(Cl)cc1 3385512 SEYYARNZRNKHJA-UHFFFAOYSA-N 352.217 3.509 0 40 FHAB O=C(NC[C@H]1CCCO1)c1cc2ccccc2n1Cc1ccccc1F 58358085 BMFBFUDWHNSVDK-QGZVFWFLSA-N 352.409 3.738 0 40 FHAB O=C(CCc1cccc(Cl)c1Cl)Nc1ccnn1C[C@H]1CCOC1 58304692 WPJZIVHTHHYZFT-GFCCVEGCSA-N 368.264 3.798 0 40 FHAB Cc1c(C)c(C)c(S(=O)(=O)N(C)Cc2nc3ccccc3[nH]2)c(C)c1C 28082496 FNWBVKSSNWGTOG-UHFFFAOYSA-N 371.506 3.926 0 40 FHAB OCCNc1nc(NCc2cccc(C(F)(F)F)c2)nc2ccccc12 12782826 UBDQIFCQHXXWLF-UHFFFAOYSA-N 362.355 3.665 0 40 FHAB Cc1ccccc1NC(=O)CNC(=O)c1ccc(COc2ccccc2)o1 408564059 XISKDCRNIJLEAE-UHFFFAOYSA-N 364.401 3.536 0 40 FHAB CCCn1nc(C(=O)N(C2CC2)[C@@H](C)c2ccc(Cl)cc2)ccc1=O 45397593 YKOCVCIJHGQKKK-ZDUSSCGKSA-N 359.857 3.673 0 40 FHAB Cc1cc(C(=O)CCC(=O)N2CCn3c2nc2ccccc23)c(C)s1 29377160 KBYLYEWVJXCRIA-UHFFFAOYSA-N 353.447 3.724 0 40 FHAB COC(=O)c1c(NC(=O)c2cc(F)c(F)c(F)c2F)sc(C)c1C 70754958 PPUAYQHLGMVDGO-UHFFFAOYSA-N 361.316 3.960 0 40 FHAB O=C(Nc1ccc2c(c1)CCC2)c1cccc(NC(=O)[C@H]2CCCO2)c1 12931979 LUCGYFFOIBEYKD-LJQANCHMSA-N 350.418 3.545 0 40 FHAB CCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(SC)cc2)cc1 20029947 LEAYIFQLUCSARZ-ZDUSSCGKSA-N 351.493 3.847 0 40 FHAB Cc1nn(Cc2ccc(C(=O)Nc3cccc(C(=O)O)c3)o2)c(C)c1Cl 4179987 HCFIXSXKPGJWIK-UHFFFAOYSA-N 373.796 3.745 0 40 FHAB C[C@H]1CCN(C(=O)COC(=O)c2ccccc2F)c2ccccc2S1 6059125 YCHILGJRHLTGGQ-ZDUSSCGKSA-N 359.422 3.900 0 40 FHAB Cc1csc(=O)n1CC(=O)Nc1cc(Cl)ccc1N1CCCCC1 9154034 MGPVINRZXNCDBP-UHFFFAOYSA-N 365.886 3.501 0 40 FHAB Cc1ccc(C(=O)CCC(=O)O[C@H](C)c2nc3ccccc3c(=O)[nH]2)s1 5151769 JKWFOZSCVDGLFF-GFCCVEGCSA-N 370.430 3.560 0 40 FHAB C[C@@H](Sc1nc(N)c2ccsc2n1)C(=O)Nc1cc(F)ccc1F 9157835 NEMXNNQJTKXEJF-SSDOTTSWSA-N 366.418 3.671 0 40 FHAB COc1ccc(CNC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1 14017586 VDVSDVLOMNIBID-UHFFFAOYSA-N 356.422 3.817 0 40 FHAB C[C@H](Sc1nnc(-c2cccs2)o1)C(=O)N1CCc2ccccc21 6462850 PEGCBYNNVAQQCV-NSHDSACASA-N 357.460 3.868 0 40 FHAB C[C@H](OC(=O)c1cccc(Oc2ccccc2)c1)C(=O)NCc1ccco1 6485634 LKMXWBCRJBTSHZ-HNNXBMFYSA-N 365.385 3.934 0 40 FHAB CC(=O)c1c[nH]c(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1 14108783 KYXGLULVBPTKEJ-CYBMUJFWSA-N 353.447 3.847 0 40 FHAB COc1ccc(Br)cc1CN(C)C(=O)c1cc(C)oc1C 5421672 LVPKQBKBRDCAIG-UHFFFAOYSA-N 352.228 3.940 0 40 FHAB COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc3c(c2)CCC3)C(C)C)cc1 6778674 XGHJAHLUOXHQOF-FQEVSTJZSA-N 366.461 3.577 0 40 FHAB COC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)cc2Cl)c2ccccc2O1 6810828 VJCMCOCVUFBULZ-HNNXBMFYSA-N 366.200 3.574 0 40 FHAB C[C@H]1Sc2ccc(C(=O)Nc3ccc4c(c3)OCCCO4)cc2NC1=O 9364915 YMFPHWCOVFOSOF-LLVKDONJSA-N 370.430 3.533 0 40 FHAB CCn1nnc2cc(C(=O)OCc3coc(-c4cccs4)n3)ccc21 5805026 HMLYEBWSRIOXGT-UHFFFAOYSA-N 354.391 3.525 0 40 FHAB NC1=Nc2nc3ccccc3n2[C@@H](c2ccc(SC(F)(F)F)cc2)N1 9318931 PJTHFDAAKPZOAQ-ZDUSSCGKSA-N 363.368 3.745 0 40 FHAB O=c1c2ccccc2nc(S)n1CC1(N2CCCCC2)CCCCC1 15252509 RCUSDULICNUTFX-UHFFFAOYSA-N 357.523 3.874 0 40 FHAB Cc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(Cl)c(Cl)c1 7389714 YAGFQVVYDAEXJE-UHFFFAOYSA-N 362.216 3.650 0 40 FHAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(-c2cccs2)on1 15859721 WABQXEZVXWUXPD-CQSZACIVSA-N 357.435 3.563 0 40 FHAB O=C(c1cc2c(s1)CCCCC2)N1CCN(c2ccc(O)cc2)CC1 7669513 VATSUKUVXFGRIM-UHFFFAOYSA-N 356.491 3.685 0 40 FHAB CS(=O)(=O)N1CCc2cc(-c3csc(-c4ccsc4)n3)ccc21 8102905 WTYXNTGAYLXCSA-UHFFFAOYSA-N 362.501 3.861 0 40 FHAB COc1cccc(C(=O)CSc2nnc(-c3ccccc3C)n2C)c1 9614991 OLGXUNHYHRSFOF-UHFFFAOYSA-N 353.447 3.774 0 40 FHAB O=C1CC[C@@H](C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)CN1 84562625 BNLVZZBNOAFOIR-CYBMUJFWSA-N 362.351 3.837 0 40 FHAB CC(=O)Nc1ccc([C@@H]2CC(c3ccco3)=NN2C(=O)c2ccco2)cc1 95946119 NSSLVXJKEXODGF-KRWDZBQOSA-N 363.373 3.823 0 40 FHAB Cc1[nH]c(S[C@H](C)C(=O)NCc2ccco2)nc1Cc1ccccc1 9946654 HIMDZBULYWFBRX-CQSZACIVSA-N 355.463 3.699 0 40 FHAB C=CCc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc(OC)c1O 60799077 JHFWVPGQUNFFNZ-LSFURLLWSA-N 351.328 3.989 0 40 FHAB CCCCCN1C(=O)S/C(=C\c2cc(OC)c(O)c(OC)c2)C1=O 409212102 OXELMMMXOSMGSX-UVTDQMKNSA-N 351.424 3.636 0 40 FHAB CC(C)Oc1cccc(CNC(=O)CN2C(=O)c3cccc4cccc2c34)c1 123191841 XQHRSJVLMCFJCA-UHFFFAOYSA-N 374.440 3.904 0 40 FHAB CN(C(=O)COc1ccc(Br)cc1)[C@@H]1CCc2ccccc21 32905290 JHWMAWZOBYXHCB-QGZVFWFLSA-N 360.251 3.974 0 40 FHAB CCN(CC)CCCNC(=O)c1sc(NC2CCCCC2)nc1C 71326732 ZOJRKWDNHROIPT-UHFFFAOYSA-N 352.548 3.658 0 40 FHAB COc1cccc(-c2noc([C@H]3CCN(Cc4cccc(F)c4)C3)n2)c1 72369888 HQKBNNHDHRUKNB-INIZCTEOSA-N 353.397 3.874 0 40 FHAB CCOC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)c2ccccn2)C=C1C 30882367 RGDZDCVZTZTQID-BZSNNMDCSA-N 358.482 3.619 0 40 FHAB biogenic,in-vitro Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)[nH]1 223450023 LDEXVPOYBXIDBB-OALUTQOASA-N 363.490 3.594 0 40 FHAB CCCOc1ccc(NC(=O)[C@@](C)(CCC)OCC)cc1C(=O)OC 225821401 BHDPLYVZHHIJOZ-LJQANCHMSA-N 351.443 3.796 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 223154486 YMWSLMRZEIBUPI-IBGZPJMESA-N 372.896 3.826 0 40 FHAB Cc1n[nH]cc1-c1nnc(NC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)s1 529123810 XRTXRVGQWDPKTG-CHWSQXEVSA-N 357.414 3.508 0 40 FHAB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1Cl 224678997 OSUNCBIBAGXBMD-UHFFFAOYSA-N 367.854 3.732 0 40 FHAB COc1cccc(NC(=S)NCc2nc(-c3ccc(C)cc3)no2)c1 225816041 YMCFGNYGQYMEGT-UHFFFAOYSA-N 354.435 3.540 0 40 FHAB COc1ccc(C(=O)Nc2ccc([C@@H](C)O)cc2)cc1Br 226273518 UXSOCPHWTYVZRH-SNVBAGLBSA-N 350.212 3.763 0 40 FHAB COc1cccc(-c2noc(CCC(=O)N[C@@H](C)c3ccc(F)cc3)n2)c1 225825467 ZIORDGAQRLTECJ-ZDUSSCGKSA-N 369.396 3.694 0 40 FHAB Cc1ccc(CN(C(=O)CCc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 225518540 ZMMUHPGLDOADAF-LJQANCHMSA-N 366.505 3.870 0 40 FHAB Cc1cc(Br)cc(C)c1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O 226404846 SUWDGXUJCJKDOO-FGZZBPHYSA-N 372.262 3.623 0 40 FHAB O=C(NCC1CCN(c2cccnc2)CC1)c1cc2ccccc2s1 225655596 ZFKWMYJSOPLMDB-UHFFFAOYSA-N 351.475 3.943 0 40 FHAB COc1cccc(NC(=O)COc2nn(-c3ccccc3)cc2Cl)c1 227152059 KQXVHJIDZTWVBL-UHFFFAOYSA-N 357.797 3.552 0 40 FHAB CC(C)c1ccc(-c2ncc(CN3C(=O)C(=O)N(C(C)C)C3=O)s2)cc1 97600637 MKHMDGNODOTZLP-UHFFFAOYSA-N 371.462 3.633 0 40 FHAB Cc1ccccc1CN1CCC2(CC1)C[C@H](OCc1ccncc1)CO2 96106848 YKIMZVHTHBSKLT-NRFANRHFSA-N 352.478 3.730 0 40 FHAB CC[C@@H](Oc1ccccc1C)C(=O)N(C)Cc1nc(-c2cccs2)no1 95482359 CGYSQKQCPSRXSD-CQSZACIVSA-N 371.462 3.923 0 40 FHAB CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1ccc2ccn(C)c2c1 96231591 XTHMAZRYBLNCJZ-UHFFFAOYSA-N 360.417 3.730 0 40 FHAB O=C(c1cnc2ccccc2c1)N1CCC(c2cccc3nccn23)CC1 257340635 ZGZFEAZKRPHILY-UHFFFAOYSA-N 356.429 3.902 0 40 FHAB CCN(Cc1ccccc1)c1nn(-c2ccc(Cl)cc2)nc1C(=O)O 256049063 XYUHZPALVBLYQV-UHFFFAOYSA-N 356.813 3.645 0 40 FHAB CN(C)C(=O)c1cc(NC(=O)N[C@@H]2[C@@H](c3ccccc3)C2(C)C)ccc1F 626428307 ANEZPEVWMLSCHR-QZTJIDSGSA-N 369.440 3.841 0 40 FHAB O=C(NCCc1coc(-c2ccccc2)n1)c1cncc(C(F)(F)F)c1 1117627272 SYBRCLMXLPIBKI-UHFFFAOYSA-N 361.323 3.728 0 40 FHAB CC1=CC(C)(C)N2C(=O)[C@](O)([C@H]3CC[C@H](C)CC3=O)c3cc(C)cc1c32 1740816383 BRGARNQFWTWYJT-IEBOFQNGSA-N 353.462 3.730 0 40 FHAB O=C(O)[C@H](Cc1ccco1)NCOCC1c2ccccc2-c2ccccc21 390822555 CQHASZVLDXOUIZ-NRFANRHFSA-N 363.413 3.652 0 40 FHAB Cc1cccc2c1N(C1CC1)CCN2C(=O)c1cn(C)nc1-c1ccoc1 582586075 XXJDUEOSZJOTTI-UHFFFAOYSA-N 362.433 3.618 0 40 FHAB CO[C@H]1CN(C(=O)/C=C/c2csc(C)n2)CC[C@@H]1Cc1ccccc1 585290273 PVTWPAVYLXEIEJ-DLBUCANVSA-N 356.491 3.571 0 40 FHAB CC1(C)[C@H]2C[C@H]3OB(B4O[C@@H]5C[C@H]6C[C@H](C6(C)C)[C@@]5(C)O4)O[C@]3(C)[C@@H]1C2 169807870 VNEZFUGEQURPEN-ARONAYCLSA-N 358.096 3.521 0 40 FHAB CN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)[C@@H]1CCSC1 89694687 YZFZMZLVQBURRL-MRXNPFEDSA-N 372.538 3.546 0 40 FHAB Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2C)c1 5359801 OHWXUCKRWOQBOI-UHFFFAOYSA-N 352.463 3.923 0 40 FHAB CCOc1cc(C(=O)Nc2ccc(O)cc2)cc(Br)c1OC 5980200 UZDDTAMARBKIGS-UHFFFAOYSA-N 366.211 3.814 0 40 FHAB COc1ccccc1NC(=O)CCS[C@@H]1CCc2ccccc2NC1=O 12409018 NGCJWVVQVHPXTK-GOSISDBHSA-N 370.474 3.711 0 40 FHAB Cc1nn2c3c(nnc2c1-c1ccc(F)cc1)C(=O)C[C@H](c1ccco1)C3 14607729 MUJSHIMCIHEIHW-CYBMUJFWSA-N 362.364 3.745 0 40 FHAB Cc1cc(C)cc(NC(=S)NC2CCN(C(=O)c3ccccc3)CC2)c1 16705141 PFUKZSMNZVXGQW-UHFFFAOYSA-N 367.518 3.895 0 40 FHAB CC(C)Oc1cccc(CN2CCC[C@H](c3nn(C)c4nccnc34)C2)c1 19450875 LOBIIJOYXGJJKQ-KRWDZBQOSA-N 365.481 3.530 0 40 FHAB CCCC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2F)(C(N)=O)C1 19501061 BDBMZDFNCZFZIJ-JOCHJYFZSA-N 368.452 3.539 0 40 FHAB Cc1ccc(-c2n[nH]c(S[C@H](C(=O)N(C)C)c3ccccc3)n2)cc1 6843690 RSONJVCQMFVIOI-INIZCTEOSA-N 352.463 3.702 0 40 FHAB CCCCN1C(=O)N(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc21 1889136316 ICVNNTXFCMXUAA-UHFFFAOYSA-N 362.426 3.757 0 40 FHAB C[C@H](NC(=O)c1ccccc1S(C)(=O)=O)c1ccc(Cl)c(Cl)c1 23689696 JASQVHKAWFORCN-JTQLQIEISA-N 372.273 3.888 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1 22959985 NSKWHTDYXWXJRN-UHFFFAOYSA-N 360.479 3.633 0 40 FHAB CCOC(=O)C[C@@H](NC(=O)c1cccc(Cl)c1)c1ccc(OC)cc1 3622595 DVBMODQJCJLJFF-QGZVFWFLSA-N 361.825 3.773 0 40 FHAB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)cc1 8843856 HIYJAOZGUKKDHJ-LJQANCHMSA-N 365.433 3.579 0 40 FHAB Cc1ccc(C(=O)Cn2nc(-c3ccco3)c3sc(C)nc3c2=O)cc1 13010546 AHENQTJHJWFHQV-UHFFFAOYSA-N 365.414 3.613 0 40 FHAB O=C(NC[C@@H](c1ccsc1)n1cccn1)C1(c2ccc(F)cc2)CC1 575613906 LOXRVWAZFDNNQK-KRWDZBQOSA-N 355.438 3.521 0 40 FHAB Cc1nc(-n2cccc2)sc1C(=O)NCc1cncc(-c2ccoc2)c1 575620366 MINMTRZNZWTCHO-UHFFFAOYSA-N 364.430 3.827 0 40 FHAB CCCCc1nnc(SCCCOc2ccc(C=O)cc2OC)o1 15418594 NNVGJYPFHCAMCE-UHFFFAOYSA-N 350.440 3.795 0 40 FHAB C[C@](O)(CCc1ccccc1)CNC(=O)c1ccc(OC(F)(F)F)cc1 75170274 CPHJXLSBABPWQD-SFHVURJKSA-N 367.367 3.699 0 40 FHAB COCCCNC(=O)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 10467863 ZKFXICMYTMGCKL-INIZCTEOSA-N 357.479 3.697 0 40 FHAB Cc1cc(C(=O)Nc2cccnc2N2CCCC2)c2ccc(F)cc2n1 40142245 AZKNNCMPQCEVMU-UHFFFAOYSA-N 350.397 3.930 0 40 FHAB CCCn1c(=O)n(CCC(=O)N2CCCc3ccccc32)c2ccccc21 16699503 NLPQFLIMHNCRIS-UHFFFAOYSA-N 363.461 3.583 0 40 FHAB Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2c(F)cccc2F)n1 46303307 QDPOELTWISFBJM-UHFFFAOYSA-N 363.389 3.568 0 40 FHAB CC[C@H]1c2ccsc2CCN1C(=O)CNC(=O)c1ccc(Cl)cc1 16778400 LEFLDCKPMZLEQG-HNNXBMFYSA-N 362.882 3.667 0 40 FHAB COc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccco3)C2)cc1OC 801912 KDQPMRNNDQJRQJ-HNNXBMFYSA-N 366.373 3.881 0 40 FHAB COc1ccc(C(=O)COC(=O)c2cc(C)nc3ccccc23)cc1OC 807573 HCZIWGVIXZISHY-UHFFFAOYSA-N 365.385 3.600 0 40 FHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1 888226 RSZFJCOIBSAZKN-UHFFFAOYSA-N 352.463 3.620 0 40 FHAB CC[C@@H](CNC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1ccccc1 32845068 LSWQGGJOWSXQCI-BTYIYWSLSA-N 366.486 3.925 0 40 FHAB c1ccc2c(c1)OC[C@@H](c1nc3c4c5c(sc4ncn3n1)CCCC5)O2 3176376 FSONEDFRQNLMRQ-AWEZNQCLSA-N 364.430 3.730 0 40 FHAB O=c1[nH]c(CSc2nnc(-c3ccc(Cl)cc3)o2)nc2ccccc12 6028922 SDUPNZNHJHQLRQ-UHFFFAOYSA-N 370.821 3.919 0 40 FHAB O=C(COc1cccc(C(F)(F)F)c1)N[C@@H]1CCOc2ccccc21 7215625 PRJAKPIRWRDDFB-OAHLLOKOSA-N 351.324 3.724 0 40 FHAB Cc1ccc(Cl)cc1N1CCN(C(=O)COc2cccc(C)c2C)CC1 7724520 MJAGKMCRGRGDAW-UHFFFAOYSA-N 372.896 3.993 0 40 FHAB Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](CC(C)C)[C@H]2C1=O 102729799 BMHVPIICEQFDLA-VAMGGRTRSA-N 364.445 3.720 0 40 FHAB C[C@@H](C(=O)Nc1ncc(Cc2ccc(F)c(F)c2F)s1)n1ccnc1 53281219 ZACFQDIVZHALAM-VIFPVBQESA-N 366.368 3.547 0 40 FHAB COc1ccc([C@H](CC(C)C)NC(=O)COc2ccccc2OC)cc1 20493599 KKARYLQQDOAWAU-SFHVURJKSA-N 357.450 3.986 0 40 FHAB CC(C)(C)[C@@H]1CCc2sc(C(=O)NCCCN3CCCC3=O)cc2C1 22625360 KGWSWOKCKLPLBK-OAHLLOKOSA-N 362.539 3.641 0 40 FHAB CCCn1c(C)cc(C(=O)Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)c1C 53843464 LSPVIMGXLKBIAR-UHFFFAOYSA-N 369.490 3.727 0 40 FHAB Cc1cc(C)c(OCC(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)c(C)c1 23074531 HQSMJMXYLMZIAV-KRWDZBQOSA-N 367.445 3.512 0 40 FHAB CC(C)(C)C(=O)NC(=S)/N=c1/[nH]c(-c2ccc(Cl)cc2)cs1 21596377 JPBBCZALMDGHPY-UHFFFAOYSA-N 353.900 3.745 0 40 FHAB Cc1ccc(NC(=O)[C@H]2C(=O)C[C@](C)(O)C[C@H]2c2ccccc2)c(C)c1 101406528 ZZCYFVLFXLNREF-UCNVEGJOSA-N 351.446 3.756 0 40 FHAB O=c1oc2ccccc2n1CN1CCC[C@@H]1c1nc2ccccc2s1 23866953 BNZSGIUFYAIOTH-OAHLLOKOSA-N 351.431 3.999 0 40 FHAB CN(Cc1cnn(C)c1)C(=O)c1ccccc1OCc1ccc(Cl)cc1 24471112 WOIJJSVJEGCLKM-UHFFFAOYSA-N 369.852 3.925 0 40 FHAB C[C@H](NC(=S)CCc1ccccc1)[C@H](c1ccccc1)N1CCOCC1 25329167 STUGGEMQWKTUDZ-PGRDOPGGSA-N 368.546 3.998 0 40 FHAB O=C(Nc1cccnc1)c1cc(Br)c(Br)s1 12536443 XANGERNFRLFQGF-UHFFFAOYSA-N 362.046 3.920 0 40 FHAB COc1nc(C(=O)NC[C@@H](O)c2ccc3ccccc3c2)cc2ccccc12 78775576 QDAGUTMCQGQONZ-OAQYLSRUSA-N 372.424 3.860 0 40 FHAB COc1cc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc(OC)c1 12556277 GUYSJWDXHIJIMV-UHFFFAOYSA-N 373.409 3.943 0 40 FHAB CC(C)C(=O)NC(=S)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 21596307 ONSWULLWHBARQO-UHFFFAOYSA-N 355.419 3.669 0 40 FHAB COc1ccc2oc(C)c(C(=O)Nc3ccn(Cc4ccccn4)n3)c2c1 58185949 KVUDRBXBEYWZPA-UHFFFAOYSA-N 362.389 3.642 0 40 FHAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C1CCN(c2ncccn2)CC1 58182781 SIRQHHYFGSKPNH-KRWDZBQOSA-N 366.509 3.566 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C 10684210 RGCLLFPXNSJPAD-HZPDHXFCSA-N 354.450 3.929 0 40 FHAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3c(F)cccc3F)ccc21 10972148 FRFHSGQMHPOGDF-UHFFFAOYSA-N 374.387 3.989 0 40 FHAB Cc1ccc2c(=O)cc(C(=O)Nc3onc4c3C[C@@H](C)CC4)oc2c1C 27748309 OWZVACYBCJBAIL-JTQLQIEISA-N 352.390 3.775 0 40 FHAB CC(=O)NCc1ccc(-c2csc(-c3cccc(C(=O)O)c3)n2)s1 58356094 UIZDRGPUJIGSPS-UHFFFAOYSA-N 358.444 3.873 0 40 FHAB O=C(NC1CC1)c1ccc(CN(c2ncnc3ccsc23)C2CC2)cc1 45026477 YABFHBIJSMPTDF-UHFFFAOYSA-N 364.474 3.753 0 40 FHAB O=C1COc2ccc(-c3csc(-c4cccc(C(=O)O)c4)n3)cc2N1 58474297 GUKCMZPFBYNGNO-UHFFFAOYSA-N 352.371 3.506 0 40 FHAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1cccc(Br)c1 2270330 CYTIROBMWVBPGT-HNNXBMFYSA-N 364.195 3.747 0 40 FHAB CCOc1cc2c(cc1NC(=O)COc1cccc(C(C)=O)c1)O[C@@H](C)C2 10855843 YWAGZBZOYOOGOE-ZDUSSCGKSA-N 369.417 3.629 0 40 FHAB Cn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1cccs1 2356007 ARQSRYBDOIMDJO-UHFFFAOYSA-N 366.418 3.553 0 40 FHAB CCOc1ccc(CN(C)C(=O)Nc2ccccc2-n2cccn2)cc1 48152481 WFGMGAFZIDQNKB-UHFFFAOYSA-N 350.422 3.935 0 40 FHAB O=C(NCc1cc2ccccc2[nH]1)c1cc(Cl)c2c(c1)OCCCO2 58899658 IAKINQCJNUCZLI-UHFFFAOYSA-N 356.809 3.913 0 40 FHAB CCN(CC)Cc1ccc(C(=O)Nc2cccc(Cn3ccnc3)c2)o1 48236424 DEJWUJKCFVGTMQ-UHFFFAOYSA-N 352.438 3.619 0 40 FHAB Cc1ccc2c(CSc3nnc(-c4ccncc4)n3C)cc(=O)oc2c1 3355350 PJJLMXRNHIWYJV-UHFFFAOYSA-N 364.430 3.584 0 40 FHAB O=S(=O)(Nc1cccc(Oc2cnccn2)c1)c1ccc2c(c1)CCC2 36824327 ZUSOHMVIROWRII-UHFFFAOYSA-N 367.430 3.558 0 40 FHAB O=C(Cc1ccccc1)NC(=S)Nc1cccc(OC(F)(F)F)c1 2582410 WTKXNUBURPJUTH-UHFFFAOYSA-N 354.353 3.641 0 40 FHAB CCOc1ccc(C(=O)CCC(=O)Nc2cccc(-n3cccn3)c2)cc1 48345719 JZFZBMAFRPBAGO-UHFFFAOYSA-N 363.417 3.873 0 40 FHAB COc1ccc(CCNC(=O)c2cc3ccccc3cc2O)cc1OC 12861532 QMLRKEXFHUWTEZ-UHFFFAOYSA-N 351.402 3.535 0 40 FHAB C[C@@H](NC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1)c1ccccc1 69483699 BKMILDASGXNBOC-VXGBXAGGSA-N 358.492 3.734 0 40 FHAB CCOc1ccc(CCC2CCN(CC(=O)Nc3nccs3)CC2)cc1 12804031 NBPVHKMUWSLRBQ-UHFFFAOYSA-N 373.522 3.825 0 40 FHAB Cc1cc(C(=O)CSc2nc(-c3ccncc3)n[nH]2)c(C)n1C1CC1 8491158 VVYXNYHLRGDTDR-UHFFFAOYSA-N 353.451 3.595 0 40 FHAB O=C(CSc1nc2sccc2c(=O)[nH]1)Nc1cc(Cl)ccc1F 8456861 MSSUOOREMVMTCM-UHFFFAOYSA-N 369.830 3.508 0 40 FHAB C[C@]12C=C/C(=N\OCC(=O)O)C=C1CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12 4029398 RLZYCYTZQGHRMD-HVFNOKMISA-N 373.493 3.933 0 40 FHAB O=C(N[C@H]1CCSc2c(F)cccc21)C1=NO[C@H](c2ccccc2)C1 64761740 YKHCVTFRCSDLPC-RDJZCZTQSA-N 356.422 3.996 0 40 FHAB O=C1CCc2cc(F)c(NC(=O)c3csc(Br)c3)cc2N1 24448701 JNXOUGFRPVOLBO-UHFFFAOYSA-N 369.215 3.787 0 40 FHAB O=C(c1ccncc1)N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1 8606892 JUVPAEJFLLWYII-UHFFFAOYSA-N 361.445 3.898 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)CN(C)Cc2ccc(CC)cc2)c1C 6507582 YNYDCKOBSOIOLD-UHFFFAOYSA-N 356.466 3.685 0 40 FHAB CC[C@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 4601877 UKHKCXRCHNFQTA-AWEZNQCLSA-N 354.450 3.575 0 40 FHAB CCn1cc(C(=O)Nc2cc(C)ccc2OC)c(=O)c2cc(OC)ccc21 22235854 XBFHAGSNQXAYCM-UHFFFAOYSA-N 366.417 3.599 0 40 FHAB Cc1c(C(=O)NCC(C)(C)N(C)C)oc2ccc(Br)cc12 70728894 CKQRFNXZPKHXMM-UHFFFAOYSA-N 353.260 3.574 0 40 FHAB CCC[C@@H](C)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccccc1OC 5564081 VRWZTDUHGKBLLK-BDJLRTHQSA-N 361.467 3.733 0 40 FHAB O=c1c2sccc2ncn1CCCOc1cccc(C(F)(F)F)c1 66373687 BNMFVEPVQWDIPE-UHFFFAOYSA-N 354.353 3.946 0 40 FHAB Cc1cccc2nc(C(=O)Nc3ccc4c(c3)nc3n4CCCCC3)cn12 14910343 ZYKFZMDSPCYYNE-UHFFFAOYSA-N 359.433 3.971 0 40 FHAB Cc1ccccc1[C@@]1(CC(=O)NCc2cccnc2)CCOC(C)(C)C1 8992417 UZHCIDOWYHWWQJ-JOCHJYFZSA-N 352.478 3.923 0 40 FHAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)NCc3cccs3)o2)cc1 7455295 OEJYVHOLWVSYMP-LBPRGKRZSA-N 359.476 3.904 0 40 FHAB Cc1ccc([C@@H](CNC(=O)COc2ccc(C)c(C)c2)N2CCCC2)o1 15860251 OADIGQIDOCUZHY-LJQANCHMSA-N 356.466 3.537 0 40 FHAB Cc1nc(-c2cccc(NC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)c2)cs1 7777802 KRZBWPSEDBDSSG-HNNXBMFYSA-N 369.490 3.848 0 40 FHAB C[C@H]1CN(Cc2nc(-c3cc(Br)cs3)no2)CC(C)(C)O1 68474507 AJGJOXSKLKHZED-VIFPVBQESA-N 372.288 3.560 0 40 FHAB Cc1cc(S[C@@H](C)C(=O)Nc2sccc2C(N)=O)nc2ccccc12 9157826 SSLRIGQXZMLKHY-NSHDSACASA-N 371.487 3.823 0 40 FHAB O=C(Cc1cccs1)Nc1n[nH]c(SCc2ccc(Cl)cc2)n1 9582462 AGXDJRCLLMKEEL-UHFFFAOYSA-N 364.883 3.993 0 40 FHAB COc1cc(NC(=O)COc2cccc(C)c2)ccc1-c1ccc(CO)o1 20143877 CKIRIGDUTCUXTO-UHFFFAOYSA-N 367.401 3.773 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)c1ccccc1CSc1ncn[nH]1 9613985 AISIFCCPNFGJJN-CYBMUJFWSA-N 368.462 3.597 0 40 FHAB Cc1nc(S)sc1CC(=O)Nc1ccc(N2CCCC2)c(F)c1 95365200 IBYOEKILGDDFGW-UHFFFAOYSA-N 351.472 3.661 0 40 FHAB C[C@H](NCc1ccnc(N2CCN(C)CC2)c1)c1cccc2ccccc12 95395907 UHAOBPHBNQBUIP-SFHVURJKSA-N 360.505 3.837 0 40 FHAB COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccccc1Cl 85412974 XCMBAKBQAUEWGW-PBHICJAKSA-N 356.761 3.512 0 40 FHAB CNC(=O)c1ccc(CN[C@@H](c2ccccc2)c2ccc(OC)cc2)cc1 74229821 FZIJYFVELQFASA-QFIPXVFZSA-N 360.457 3.934 0 40 FHAB C[C@H]1Oc2ccc(NC(=O)/C=C/c3nc4ccccc4s3)cc2NC1=O 9954582 BNOCZZBBWXUJEG-ANYFNZRUSA-N 365.414 3.668 0 40 FHAB Cc1cc(C(=O)COC(=O)CCC(=O)N[C@@H](C)c2ccccc2)c(C)s1 89582286 URRNHTJHOCDSDP-AWEZNQCLSA-N 373.474 3.748 0 40 FHAB C[C@H]1CCCC[C@@H]1N1CCN(C(=O)COc2ccc3ccccc3c2)CC1 20569875 JJPMFBPUUZHTSC-AVRDEDQJSA-N 366.505 3.942 0 40 FHAB CCCCC(=O)NC(=S)Nc1ccc(NC(=O)Cc2ccccc2)cc1 408627197 LDRBIXGOANFDSG-UHFFFAOYSA-N 369.490 3.871 0 40 FHAB CCN(C(=O)c1cncc2ccccc12)[C@@H]1CCN(Cc2ccccc2)C1 546890406 PESKCMQSFMHROT-HXUWFJFHSA-N 359.473 3.971 0 40 FHAB O=C1NC2(CCN(Cc3ccoc3)CC2)c2nc(-c3ccccc3)sc21 306131304 KAVXQLOUTLIIJO-UHFFFAOYSA-N 365.458 3.638 0 40 FHAB CCN(c1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1)C(C)C 30675825 MQFBLUMKGOVWQM-UHFFFAOYSA-N 360.479 3.577 0 40 FHAB Cc1cc(C)n(CN(Cn2nc(C)cc2C)c2ccc(N(C)C)cc2)n1 3852204 WJZCZEHZTKBUBM-UHFFFAOYSA-N 352.486 3.501 0 40 FHAB biogenic COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)C)cc2)cc1OC 71792757 QDVQISNWTSEMGI-UHFFFAOYSA-N 363.479 3.648 0 40 FHAB Fc1cc(Cl)ccc1-c1nnc(N2CCCC2)n1C[C@@H]1CCCCO1 550029661 YBZPDFMFJOVJHF-AWEZNQCLSA-N 364.852 3.907 0 40 FHAB CCOc1cccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)c1 38752957 CUCDPGQXVGWOBI-UHFFFAOYSA-N 360.262 3.871 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)c1 73955755 ZKQBAAFOEBIVRI-SFHVURJKSA-N 353.462 3.627 0 40 FHAB CCc1nccn1-c1nccnc1[C@@H]1CCCN(CCc2ccccc2)C1 72350544 CZRIIIKNHOJOKC-LJQANCHMSA-N 361.493 3.647 0 40 FHAB CCOc1cccc(NS(=O)(=O)c2ccccc2Br)c1 40446707 PMPUUEGNTNOAAQ-UHFFFAOYSA-N 356.241 3.649 0 40 FHAB Cc1cc(C)c2c(=O)ccn(CC(=O)NCc3ccc(Cl)cc3)c2c1 225753713 BLSRJSPKFXZMCL-UHFFFAOYSA-N 354.837 3.588 0 40 FHAB Cc1nccn1-c1ccccc1CNC(=S)Nc1c(F)cccc1F 225450335 UKFQDAFVDZBDNF-UHFFFAOYSA-N 358.417 3.946 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)NCc2cccc(CN3CCCC3)c2)c1 46374936 RXFNSUXNZJRQGM-GOSISDBHSA-N 352.478 3.675 0 40 FHAB COC(=O)c1cc(NC(=S)NCc2ccccc2OC)ccc1Cl 225312766 UIEGHTVCHDZIMC-UHFFFAOYSA-N 364.854 3.622 0 40 FHAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(Cn3ccnc3)cc2)cc1C 225115322 HHXJOSVROQEMJN-SFHVURJKSA-N 363.461 3.746 0 40 FHAB CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(C)=O 223470992 COAOPFLLNWHOHK-FQEVSTJZSA-N 356.441 3.832 0 40 FHAB CO[C@]1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCC[C@H](C)C1 225635079 HDUUDDQKRIJQIP-LAUBAEHRSA-N 360.498 3.695 0 40 FHAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C)cc1 223768392 JTIBLEACBIPANT-MOPGFXCFSA-N 364.474 3.606 0 40 FHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c2)C1 239412416 SRAMYIJDMNTNGV-BRSBDYLESA-N 356.510 3.923 0 40 FHAB Cc1nc(-c2ccc(F)cc2)nc2c1CCN(C(=O)C1CCCC1)CC2 96083883 VVQZINGITVMOGL-UHFFFAOYSA-N 353.441 3.709 0 40 FHAB O=C(c1ncn(-c2ccccc2)n1)N(CC(F)F)c1cccc(Cl)c1 92869638 XRVGJLZMHGFQMS-UHFFFAOYSA-N 362.767 3.833 0 40 FHAB COC(=O)c1cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)s1 96248525 UCQRECIMOFSMRX-UHFFFAOYSA-N 358.416 3.606 0 40 FHAB COc1ccc2[nH]c(C(=O)N3CCC[C@@]4(C)[C@@H]3CCCCN4C)cc2c1 257277900 NZYZBVKOHDYSFS-FPOVZHCZSA-N 355.482 3.656 0 40 FHAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)C(CC)CC)CCO2)n1 257262130 LKEURRZVNMTQAT-LJQANCHMSA-N 371.481 3.944 0 40 FHAB O=C(CSCc1ccc(F)cc1)N1CC[C@H](c2ccccc2)[C@H](CO)C1 598200796 NGXYJMLVJUADLN-AZUAARDMSA-N 373.493 3.684 0 40 FHAB Cc1cc(F)ccc1C[C@@H](C)NC(=O)N1Cc2c[nH]nc2CC(C)(C)C1 663214424 IPIDNOBUDQJZHM-CQSZACIVSA-N 358.461 3.582 0 40 FHAB Cc1cnc(-c2noc([C@@H]3C[C@H]3c3ccc(Br)cc3)n2)cn1 665021357 VYYCVQJSHNENKN-QWHCGFSZSA-N 357.211 3.869 0 40 FHAB O=C(c1ccc2nnc(C(F)F)n2c1)N1CC[C@H]1c1ccc(Cl)cc1 1322209438 SBZDSURYVRZRHA-ZDUSSCGKSA-N 362.767 3.908 0 40 FHAB Cc1nc(-c2ncc(C)s2)cc([C@H]2CCCN(C(=O)C(C)(C)C)C2)n1 585179618 LQTGIFVNZUUTHU-AWEZNQCLSA-N 358.511 3.969 0 40 FHAB Cc1cccc(N=c2cncc(C3CCN(C[C@@H]4CC=CCC4)CC3)[nH]2)n1 585176621 AIGZRRCARNRZON-GOSISDBHSA-N 363.509 3.881 0 40 FHAB COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)s2)ccc1Cl 44330221 SAUWGZHKJUMBGN-UHFFFAOYSA-N 366.247 3.642 0 40 FHAB O=C(CCC(=O)N1CCc2sccc2C1)Nc1ccc2ccccc2n1 55013353 GEHCFSPDCQQKFQ-UHFFFAOYSA-N 365.458 3.600 0 40 FHAB CC(=O)c1c(C)nc(C)nc1SCC(=O)N(CC(C)C)CC(C)C 71794943 FAMASNPKYYXSLJ-UHFFFAOYSA-N 351.516 3.529 0 40 FHAB CCn1nccc1CNC(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 1670717341 IDTVBHZRUNJJGA-LBPRGKRZSA-N 361.515 3.832 0 40 FHAB COc1ccc2nc(NC(=O)c3ccc(Cn4cccn4)cc3)sc2c1 11807072 AEXVQEAHANLFPF-UHFFFAOYSA-N 364.430 3.802 0 40 FHAB COc1cccc(OC)c1CN1[C@H]2CC[C@@H]1c1cnc(C(C)C)nc1C2 12220562 GNCWJQAACMERPK-KBXCAEBGSA-N 353.466 3.879 0 40 FHAB CCOc1ccc2[nH]c(=O)c(CNc3cc(OC)ccc3OC)cc2c1 12493222 WLXDJKMRSVIGFL-UHFFFAOYSA-N 354.406 3.556 0 40 FHAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1 12925322 YUIRFHPUCPYGCA-NRFANRHFSA-N 367.470 3.958 0 40 FHAB COc1cccc(N2CCn3c(nc4cc(NC(=O)C(C)C)ccc43)C2)c1 13736308 HUJSWAYSXMDOIH-UHFFFAOYSA-N 364.449 3.660 0 40 FHAB CCc1ccc(-c2noc(CCC(=O)NCCc3ccc(F)cc3)n2)cc1 14850530 UWQBANVYSBJXFR-UHFFFAOYSA-N 367.424 3.730 0 40 FHAB COc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2cccc(C)c2C)cc1 15936132 ZAGRELLTLMWCNA-IBGZPJMESA-N 367.449 3.947 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccccc2F)c(OC)c1 19078720 MBSUOADGQWFCBC-KDOFPFPSSA-N 373.424 3.974 0 40 FHAB Cc1nc2nc(C(=O)Nc3c(C)ccc4cccnc34)cc(C(C)(C)C)n2n1 19234333 JVGILZLBWFWJGG-UHFFFAOYSA-N 374.448 3.839 0 40 FHAB CC(C)c1cc(C(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccncc2)on1 19452890 YJDPOFICWYXMAH-INIZCTEOSA-N 351.410 3.560 0 40 FHAB CCc1cc(C(=O)Nc2nc(-c3ccc(OC)cc3)c(CC)s2)n(C)n1 19522174 YOWXTOJPZNRXRG-UHFFFAOYSA-N 370.478 3.929 0 40 FHAB CN(C)[C@H](C(=O)Nc1nnc(C2CCCCC2)s1)c1ccc(F)cc1 19661331 AYPBASVUBGWVDU-HNNXBMFYSA-N 362.474 3.966 0 40 FHAB O=C(Nc1ccc([C@H]2Nn3cnnc3S2)cc1)c1cccc(Cl)c1 19894069 YKGYHKGNIOMUKU-HNNXBMFYSA-N 357.826 3.532 0 40 FHAB Cc1nc(SCC(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)oc1C 19559408 NTXRXBJGJKECOI-UHFFFAOYSA-N 370.478 3.666 0 40 FHAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ncc(-c2ccc(F)cc2)n1C 19661399 VYNFDRXVGCPGIY-LBPRGKRZSA-N 357.360 3.771 0 40 FHAB COc1cc(C(=O)NC[C@H]2CCCc3ccccc32)cc(OC)c1OC 30895405 YNOGCJKGDVHTHE-OAHLLOKOSA-N 355.434 3.562 0 40 FHAB O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(OCc2ccccc2)cc1 20144994 MBUGJDXVTPQTRR-UHFFFAOYSA-N 363.369 3.922 0 40 FHAB CSc1ccccc1NC(=O)N[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 5188280 OVOATRWAQDRMCS-OAHLLOKOSA-N 369.490 3.952 0 40 FHAB CCn1c(=O)c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2cccnc21 5304064 QBIAKXZQUYYAAN-UHFFFAOYSA-N 362.216 3.976 0 40 FHAB O=C(NCc1cncc(-c2ccco2)c1)C1(c2ccccc2)CCOCC1 575618201 JTYVULIWZNUQKL-UHFFFAOYSA-N 362.429 3.706 0 40 FHAB C[C@@H]1C[C@@H]1C(=O)NCC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1 23188259 BOMFBAHHHGUYGS-DOMZBBRYSA-N 371.506 3.818 0 40 FHAB O=C(CCCc1cccs1)N1CCC[C@H](c2nnc3ccccn23)C1 40001113 IJECQMJZCOVRAB-HNNXBMFYSA-N 354.479 3.520 0 40 FHAB C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1nc2cc(Cl)ccc2n1C 40153909 SZKSTYZWODILQY-DOMZBBRYSA-N 368.868 3.594 0 40 FHAB COc1ccc(-n2c(S)nc3c(sc4nc(C)cc(C)c43)c2=O)cc1 100166903 WXQYNFMQNSCHJX-UHFFFAOYSA-N 369.471 3.910 0 40 FHAB Cn1c(-c2cc3c(cc2Cl)NC(=O)C3)cs/c1=N\c1ccccn1 101718832 XREQORPGSYXSPO-FXBPSFAMSA-N 356.838 3.529 0 40 FHAB COc1ccccc1S(=O)(=O)Nc1ccc2nc(SC)sc2c1 2624402 QIAHNGXBSVJSRM-UHFFFAOYSA-N 366.489 3.828 0 40 FHAB Cc1ccc(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)n1C 21328305 YCZULRDXOXMYTJ-UHFFFAOYSA-N 357.841 3.891 0 40 FHAB Cc1ccc(S(=O)(=O)NC(=O)Nc2nc(-c3ccccc3)cs2)cc1 2290510 HWIXNSOEXZSSRR-UHFFFAOYSA-N 373.459 3.629 0 40 FHAB CCCc1cc(C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)no1 2498066 LGXDYGODSUHMJM-UHFFFAOYSA-N 362.451 3.996 0 40 FHAB aggregator COC(=O)c1sccc1NC(=O)/C=C/c1cc2cccc(OC)c2o1 21448279 VHHPJGUUFFRELZ-VOTSOKGWSA-N 357.387 3.941 0 40 FHAB CN(CCOc1ccccc1Cl)C(=O)CCc1nc2ccccc2[nH]1 32855683 JLACHMAUDBPJPP-UHFFFAOYSA-N 357.841 3.686 0 40 FHAB CCN(Cc1ccc(OC)c(F)c1)C(=O)NCCOc1cccc(C)c1 32863379 SUJKDWWGPAIMAV-UHFFFAOYSA-N 360.429 3.753 0 40 FHAB Cc1nc(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)sc1C 32859849 YTNSGRJCEZKHAX-LBPRGKRZSA-N 367.883 3.855 0 40 FHAB CN1CCC[C@H](NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 52588689 OJLHVKSRFMJPSC-ZDUSSCGKSA-N 356.297 3.762 0 40 FHAB COc1ccc(C)cc1-n1nnnc1SCCCOc1ccc(F)cc1 4997729 MWZDOTWKCHKRBT-UHFFFAOYSA-N 374.441 3.680 0 40 FHAB Cc1ccccc1S(=O)(=O)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl 52617435 ITTHMJBONORHMT-NSHDSACASA-N 355.818 3.588 0 40 FHAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CCC[C@H](C(F)(F)F)C1 52667551 WSQPDURRNZVUOI-XHSDSOJGSA-N 354.416 3.998 0 40 FHAB COc1ccc(OC)c(C(=O)COc2ccc(Br)cc2F)c1 7393151 NXNDOEWJBBARLW-UHFFFAOYSA-N 369.186 3.867 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)NCc2c(C)nn(-c3ccccc3)c2C)c1 8059952 PAFBURNCUJCYSS-UHFFFAOYSA-N 369.490 3.584 0 40 FHAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CCC2CCCC2)cc1 8088328 NIQAUJDPUHTNFR-UHFFFAOYSA-N 352.500 3.624 0 40 FHAB CCN(C(=O)CSc1nnc(-c2ccoc2C)n1C)c1ccccc1 8130121 HAOWEZXOYBCUPF-UHFFFAOYSA-N 356.451 3.529 0 40 FHAB CSc1ncc(C(=O)N2CCc3ccccc3C2)n1-c1ccc(F)cc1 22006086 JCBHNOGEPVQNCR-UHFFFAOYSA-N 367.449 3.932 0 40 FHAB COCCNc1nc2c(-c3ccc(Cl)cc3)nnn2c2ccccc12 2688960 XAKCAMABQPQAEI-UHFFFAOYSA-N 353.813 3.656 0 40 FHAB Cc1ccc(SCCNS(=O)(=O)Cc2ccc(Cl)cc2)cc1 9694913 UPZXTOIVUFCPLY-UHFFFAOYSA-N 355.912 3.860 0 40 FHAB COc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2C)cc1 813818 QVIINTLTFPKDIG-UHFFFAOYSA-N 359.426 3.834 0 40 FHAB CCOC(=O)c1cc2c3ccccc3n(C)c2nc1N1C[C@H](C)O[C@@H](C)C1 23873126 RPBROAHTVQKQMQ-KBPBESRZSA-N 367.449 3.517 0 40 FHAB CN(CC(=O)NC(C)(C)C)C(=O)CCCOc1ccc(C(C)(C)C)cc1 24075144 CERUPCMISFXXEU-UHFFFAOYSA-N 362.514 3.516 0 40 FHAB CC(=O)c1cccc(NC(=O)c2c3c(nc4ccccc24)CCN(C)C3)c1 12567364 RVCDEKMCIFGQJC-UHFFFAOYSA-N 359.429 3.678 0 40 FHAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 22513045 DIBFEYJBEAVFAJ-HLIPFELVSA-N 360.542 3.945 0 40 FHAB O=C(CSc1ccccc1Cl)Nc1nnc(C(F)(F)F)s1 1397837 ROAKZZCAQBANET-UHFFFAOYSA-N 353.778 3.941 0 40 FHAB COC(=O)c1cccc2c1CCCN2C(=O)[C@H](C)Oc1ccc(C)cc1 25191370 HNSHVYUOQZEHEW-HNNXBMFYSA-N 353.418 3.528 0 40 FHAB COc1cc(C)c(CN2C[C@H]3CCC[C@H](C2)C3(O)c2cccnc2)cc1C 100148588 KCFXASUERUKMJE-NHCUHLMSSA-N 366.505 3.827 0 40 FHAB Cc1nc2ccc(NC(=O)[C@H](NC(=O)c3ccco3)C(C)C)cc2s1 26746272 IHZQKKZQWVBSIG-MRXNPFEDSA-N 357.435 3.591 0 40 FHAB CCc1ccc(OCCCC(=O)Nc2nnc([C@@H]3CCCO3)s2)cc1 1903909 VMAAWDMGOBNESG-HNNXBMFYSA-N 361.467 3.750 0 40 FHAB CCN(CCNC[C@H](O)COc1ccccc1C(C)C)c1cccc(C)c1 3349425 PMGIEVRUTMTUOI-NRFANRHFSA-N 370.537 3.974 0 40 FHAB C[C@@H](Sc1nnc(N2CCOCC2)n1C1CC1)c1ccc(F)c(F)c1 58171082 ZXRWFAMMGHZIJH-LLVKDONJSA-N 366.437 3.581 0 40 FHAB Cc1ccc(NC(=O)NC[C@H](O)COc2cccc(C(F)(F)F)c2)cc1 58245096 RGZLGRAUXGRGIR-HNNXBMFYSA-N 368.355 3.575 0 40 FHAB CCOC(=O)c1ccc(NS(=O)(=O)Cc2cccc(C)c2)cc1Cl 20456932 FXKHDMJXYYXYAL-UHFFFAOYSA-N 367.854 3.767 0 40 FHAB CC[C@H](C)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 409380297 BLHCBNIWYHCYFL-DJJJIMSYSA-N 358.463 3.582 0 40 FHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CS(=O)(=O)Cc1ccc(C(C)(C)C)cc1 36396415 PMURXSZJHKJTIF-HZPDHXFCSA-N 365.539 3.688 0 40 FHAB CC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1Cl 10943789 PLBRLZJKHYNDQF-LBPRGKRZSA-N 374.872 3.804 0 40 FHAB CCCc1cc(=O)[nH]c(SCC(=O)c2ccc(Br)s2)n1 11443665 ICZKHXIIFWOIBG-UHFFFAOYSA-N 373.297 3.521 0 40 FHAB C[C@@H](Nc1nc2ccccc2s1)C(=O)Nc1ccc2c(c1)OCCCO2 29008018 MBEWPWPCGIRRID-GFCCVEGCSA-N 369.446 3.897 0 40 FHAB O=C1N[C@H]2[C@@H](Cc3ccccc3O)c3ccccc3CN2c2ccccc21 11582401 ZYKNBHAKRJETJG-SIKLNZKXSA-N 356.425 3.808 0 40 FHAB COc1ccc(CCNC(=O)N[C@H](c2ccccc2)c2ccccn2)cc1 29319307 RYSXOMGCMQRRKK-OAQYLSRUSA-N 361.445 3.722 0 40 FHAB CCC(CC)NC(=O)CSc1nnc(Nc2ccccc2OC)s1 3494412 DRONUXFVVIUMAW-UHFFFAOYSA-N 366.512 3.687 0 40 FHAB CCOc1ccccc1/C=C/C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 12901441 TXJGFFJPKCIGSL-ISBHARSQSA-N 362.433 3.557 0 40 FHAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccc(C)cc2C)cc1 3634598 MOPSAVRDWBOCAV-UHFFFAOYSA-N 373.456 3.620 0 40 FHAB CCOc1ccc([C@H]2C[C@H](c3ccc(OC)cc3)n3ncnc3N2)cc1 13132339 MNMBYPWITWMIAR-RTBURBONSA-N 350.422 3.832 0 40 FHAB COc1ccc2c(CC(=O)O[C@@H](C)C(=O)NCC3CCCCC3)coc2c1 5184970 ZABCPHLQCOGUKK-AWEZNQCLSA-N 373.449 3.612 0 40 FHAB CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2OC)cc1 6240622 VGWKXPQJSJMYPW-UHFFFAOYSA-N 371.462 3.561 0 40 FHAB C[C@H]1c2cccc(C(=O)NCc3ccc(N4CCCC4=O)cc3)c2O[C@@H]1C 8709582 LYMBDSBAUGGBQC-HUUCEWRRSA-N 364.445 3.628 0 40 FHAB CC(C)Cc1nnc(NC(=O)N[C@H]2CCCOc3ccc(F)cc32)s1 65437892 GOASVMIUGOKXBJ-ZDUSSCGKSA-N 364.446 3.911 0 40 FHAB Cc1ccc(OCCC(=O)NCc2ccccc2Cn2ccnc2)c(C)c1 24437802 RLBSWXLLKFMEDT-UHFFFAOYSA-N 363.461 3.634 0 40 FHAB C[C@@H](Sc1nncs1)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 65517922 RDESRWMAVIHEMY-GFCCVEGCSA-N 369.471 3.888 0 40 FHAB CC1=C(C(=O)OCC(C)C)[C@H](c2cccs2)N2C(=O)[C@H](C)SC2=N1 6455720 GCMKKOVMTIAZBL-FZMZJTMJSA-N 364.492 3.596 0 40 FHAB COc1ccccc1-n1cnnc1SCc1cn2cc(C)ccc2n1 6465734 BBVIMTQIDBDAPJ-UHFFFAOYSA-N 351.435 3.524 0 40 FHAB C[C@@H]1C[C@@H](C)CN(Cc2nc3ccccc3c(=O)n2Cc2ccco2)C1 14140008 ZYAQONAWOBYCQA-HZPDHXFCSA-N 351.450 3.516 0 40 FHAB CC(C)N1CCC(NC(=O)/C=C/c2csc(-c3ccc(F)cc3)n2)CC1 14185364 QJWZEAFOATXEON-BQYQJAHWSA-N 373.497 3.951 0 40 FHAB CCN(CC)CCCNc1nc2sc3c(c2c2ncnn12)[C@H](C)CCC3 5562815 RWGUXNFHIQWTQR-CYBMUJFWSA-N 372.542 3.923 0 40 FHAB O=C(COc1ncnc2ccccc12)Nc1ccc(OC(F)(F)F)cc1 5752591 UGZUDGPPMGLJDN-UHFFFAOYSA-N 363.295 3.546 0 40 FHAB Cc1ccc(NC(=O)COC(=O)c2ccc(Br)cc2)c(F)c1 5717317 REKRWRFSBARXKK-UHFFFAOYSA-N 366.186 3.692 0 40 FHAB C[C@@H](Sc1nncn1-c1ccccc1F)C(=O)N(C)c1ccccc1 4890739 MWZNXAYHQJZXDJ-CYBMUJFWSA-N 356.426 3.550 0 40 FHAB O=C1C[C@@H](c2ccccc2)N(Cc2cnc(-c3cccs3)s2)CCN1 92075909 BWOUNEQBTJZPDM-INIZCTEOSA-N 369.515 3.935 0 40 FHAB CN(C(=O)NCc1nc(C2CC2)no1)C1CCC(c2ccccc2)CC1 80090790 SVWSDJCIPXXFOM-UHFFFAOYSA-N 354.454 3.815 0 40 FHAB O=C(COc1ccc(N2CCCC2=O)cc1)Nc1ccc2ccccc2c1 15573842 MASAZNJFSRWTDF-UHFFFAOYSA-N 360.413 3.984 0 40 FHAB CCc1ccccc1OCC(=O)OCC(=O)Nc1c(CC)cccc1CC 7778613 ZUADKTBYIZDBIB-UHFFFAOYSA-N 369.461 3.935 0 40 FHAB Cc1ccc(-c2csc3ncn(CC(=O)OC(C)(C)C)c(=O)c23)s1 7853039 NUOIXROONMJUFW-UHFFFAOYSA-N 362.476 3.837 0 40 FHAB O=C(CNC(=O)C1CCCCC1)N[C@@H](c1ccc(F)cc1)c1cccs1 9054413 JEXRGUBIDHRCMT-IBGZPJMESA-N 374.481 3.789 0 40 FHAB CC[C@H](C(=O)N1CCC(c2nnc3n2CCCCC3)CC1)c1ccccc1 19500534 RTFIWGJWTRMJDG-IBGZPJMESA-N 366.509 3.904 0 40 FHAB Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cnc3c(c2)c(C)nn3C)o1 72303808 ASWFKKJIQVUPJF-SJKOYZFVSA-N 352.438 3.792 0 40 FHAB O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccccc1C(=O)c1ccccc1 72306546 FVKIQPCUWOYWTM-UHFFFAOYSA-N 373.387 3.863 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9579320 RKLZZSBMJTYXIL-LJQANCHMSA-N 362.429 3.845 0 40 FHAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCC[C@H]1c1ccccc1 9895797 XYDRUIUQDAXFEG-FUHWJXTLSA-N 352.459 3.853 0 40 FHAB C[C@@H](COCC(F)(F)F)NC(=O)c1cc(-c2cccc(Cl)c2)no1 84640488 UQOCMQYJQJRPET-VIFPVBQESA-N 362.735 3.692 0 40 FHAB O=C(OC1CCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 95469741 MOCDLOAGKZLWMQ-UHFFFAOYSA-N 356.871 3.912 0 40 FHAB OCc1nnc(SCc2csc(C3CCCCC3)n2)n1C1CC1 89526428 UUUJYCRNFNKASC-UHFFFAOYSA-N 350.513 3.902 0 40 FHAB C[C@@H]1C[C@@H](C(=O)Nc2cccc(NC(=O)c3cccs3)c2)CCC1=O 89920225 AJXRRUDVVZFUQN-OLZOCXBDSA-N 356.447 3.944 0 40 FHAB C[C@@H]1Cc2cc(-c3oc4cc5c(cc4c3CC(=O)O)OCO5)ccc2O1 1547138302 GIGKCXOWQQVPHG-SNVBAGLBSA-N 352.342 3.779 0 40 FHAB biogenic CC[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1 6934446 IDDFQDMJDUKMSN-LLVKDONJSA-N 360.298 3.940 0 40 FHAB CCN(CC)CN1C(=O)S/C(=C/c2ccc(Br)cc2)C1=O 408718317 JVCBEAXBMIOONT-UKTHLTGXSA-N 369.284 3.785 0 40 FHAB CCOCc1c(-c2ccc(F)cc2)c2cc3c(cc2[nH]c1=O)OCCO3 67340201 BWSMPAVNDAJKGA-UHFFFAOYSA-N 355.365 3.642 0 40 FHAB Cc1cccc(N2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)c1C 30778354 JWVDKCDZFALTSX-UHFFFAOYSA-N 361.445 3.921 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)c(Cl)c1 30856200 JHVQFLMIAJBSHH-UHFFFAOYSA-N 363.797 3.786 0 40 FHAB Cc1ccc([C@@H](C)NC(=O)CCCN2C(=O)c3ccccc3C2=O)c(C)c1 216373154 BNTYBNWUQXUGOL-MRXNPFEDSA-N 364.445 3.557 0 40 FHAB O=C(NC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1)c1ccccc1 35288969 FSRPACVXVFUTNP-UHFFFAOYSA-N 357.841 3.766 0 40 FHAB O=C(c1ccc(NC(=O)N2CCC(c3ccncn3)CC2)cc1)C1CCC1 561129739 GHQZGWVDNCFLCF-UHFFFAOYSA-N 364.449 3.871 0 40 FHAB CCc1cccc(NC(=O)CSc2cc(-n3nc(C)cc3C)ncn2)c1 49404065 WMXQOWVHJJQZEN-UHFFFAOYSA-N 367.478 3.572 0 40 FHAB O=C(/C=C/c1cccs1)Nc1ccc(CC(=O)NCC(F)(F)F)cc1 44035367 OLQDGUCRUOTIFV-BQYQJAHWSA-N 368.380 3.621 0 40 FHAB CC(C)CNC(=O)[C@H]1CCCN(c2ncnc3sc4c(c23)CCCC4)C1 40268983 QAYTXXDEFLVASY-AWEZNQCLSA-N 372.538 3.559 0 40 FHAB Cc1ccccc1CSCCNC(=S)Nc1ccc2c(c1)OCCO2 225361359 OXDPLIHKAGWYIN-UHFFFAOYSA-N 374.531 3.986 0 40 FHAB CCc1cccc(CC)c1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C 222432737 FICHHPBTZVPVKX-UHFFFAOYSA-N 374.506 3.768 0 40 FHAB CC[C@](C)(OC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225602325 WRXUPVWGGBHFQZ-FVJLSDCUSA-N 362.514 3.797 0 40 FHAB CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C[C@@H]1CCCO1 223316323 DENGVJWHGYTDPE-KFKAGJAMSA-N 370.522 3.616 0 40 FHAB O=C(OCc1ccccc1)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 196494320 QSYUKQUFMGWCOD-LJQANCHMSA-N 353.418 3.779 0 40 FHAB CCOc1ccccc1NC(=O)c1snnc1-c1cccc(OC)c1 225766509 SKUTVLQOHORQSA-UHFFFAOYSA-N 355.419 3.865 0 40 FHAB Cc1cccc(NC(=O)N2CCC3(CC2)CN(c2cccc(F)c2)C3=O)c1 96202937 RXVYRCJCJDHXGA-UHFFFAOYSA-N 367.424 3.795 0 40 FHAB FC(F)n1ccnc1CCNCc1csc(COc2ccccc2)n1 95959245 YPAHXXXXRHBAKQ-UHFFFAOYSA-N 364.421 3.646 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)cc1Cl 243249952 KPBFVSYPPLNPGC-UHFFFAOYSA-N 355.843 3.937 0 40 FHAB COc1ccccc1[C@H](C)N1CCN(C(=O)C2(C(F)F)CCCC2)CC1 585084064 SJBQRITYVVINPR-HNNXBMFYSA-N 366.452 3.726 0 40 FHAB COc1cc(C)c([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1OC 260755897 CBYGHSMHRGHXNH-ZNZDAUKMSA-N 369.490 3.997 0 40 FHAB Cc1nscc1C(=O)NC1(c2cccc(C(F)(F)F)c2)CCOCC1 278351933 NISFQHWLFKWPJP-UHFFFAOYSA-N 370.396 3.906 0 40 FHAB COCCCn1cc(-c2nc(-c3cc(C(C)(C)C)ccc3OC)no2)cn1 624647183 QNFRKVKEAZCPTP-UHFFFAOYSA-N 370.453 3.943 0 40 FHAB O=C(Nc1cnc2c(c1)CCCC2)N[C@@H](C[C@H]1CCCO1)C(F)(F)F 654033142 HXOHUSSTFJZKEQ-HIFRSBDPSA-N 357.376 3.582 0 40 FHAB COC(=O)N1CCc2ccc(NC(=O)c3ccc(Cl)s3)cc2C1 96096254 JGUXAIFHKFAKMY-UHFFFAOYSA-N 350.827 3.778 0 40 FHAB Fc1ccc(CN2CC3(C[C@H](OCc4ccccn4)CS3)C2)cc1F 585105455 WYAQKQSYWKBHQV-INIZCTEOSA-N 362.445 3.637 0 40 FHAB CN(C(=O)c1cccc(NC(=O)CC(C)(C)CC(=O)O)c1)c1ccccc1 55150679 QTGHPCQATFFZEV-UHFFFAOYSA-N 368.433 3.793 0 40 FHAB Cc1ccccc1C1(C(=O)NCCCNc2cccc(F)c2)CCOCC1 96011002 CRUNKNKCISENRH-UHFFFAOYSA-N 370.468 3.801 0 40 FHAB N=C1S[C@@H](CC(=O)Nc2ccccc2Cl)C(=O)N1c1ccccc1 5253058 VDJSXFPVFWKHAC-AWEZNQCLSA-N 359.838 3.752 0 40 FHAB COCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1cccc(C)c1C 5446382 QLBDDEGMWWBRBC-UHFFFAOYSA-N 364.445 3.633 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc(-c2ccccc2O)n[nH]1 5520447 GFCJOSPPSZUGOO-ZDUSSCGKSA-N 368.462 3.913 0 40 FHAB O=C(c1cccs1)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1 12158289 UMXKIAFXBZHGOV-ZDUSSCGKSA-N 371.487 3.511 0 40 FHAB Cc1cc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2C(C)C)on1 12186860 YEXNYGJBHBXALA-UHFFFAOYSA-N 352.394 3.904 0 40 FHAB COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)cc1 12471571 DTLMODTYDZBMGJ-CQSZACIVSA-N 371.412 3.717 0 40 FHAB Fc1ccc(CN2CCC(c3noc(-c4ccccn4)n3)CC2)cc1F 12668480 HKTDQRXSMLLGQW-UHFFFAOYSA-N 356.376 3.789 0 40 FHAB CCCSc1nnc(SCCCn2c(=O)[nH]c3ccccc32)s1 12751660 IKBBLVYNGLKEON-UHFFFAOYSA-N 366.537 3.866 0 40 FHAB C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2ccccc2)n1C 13849533 ABMGLMSNFXYNBZ-CQSZACIVSA-N 368.462 3.686 0 40 FHAB Cc1cccc(N2C[C@H](C(=O)NCc3ccccc3Cl)CC2=O)c1C 14261897 DIUDJFJTVRDYNA-MRXNPFEDSA-N 356.853 3.626 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 14412888 BTWUIACRQSMHAU-MRXNPFEDSA-N 374.506 3.912 0 40 FHAB CCC[C@@H](NC(=O)CN(C)CCOc1ccc(OC)cc1)c1ccccc1 16047067 AKQZXJKYDMQIDO-OAQYLSRUSA-N 370.493 3.663 0 40 FHAB OC1(Cn2ccc3ncccc32)C[C@@H]2CC[C@H](C1)N2Cc1ccc(F)cc1 19346434 ZEALJAJREGDOGB-QIDMFYOTSA-N 365.452 3.734 0 40 FHAB CCC(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(F)c1 19694467 HIJBZMSZRUPWQF-QGZVFWFLSA-N 356.445 3.812 0 40 FHAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN(CC3CC3)C2)c1 19694546 DNABPEMDGRJQCV-SFHVURJKSA-N 366.509 3.808 0 40 FHAB CCOP(=O)(OCC)c1ccc(P(=O)(OCC)OCC)s1 2570099 UXDZSFJMBBHZEC-UHFFFAOYSA-N 356.317 3.531 0 40 FHAB O=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N1CCC(F)(F)CC1 1889128306 GTEZHVWOKRNRKZ-UHFFFAOYSA-N 356.844 3.810 0 40 FHAB O=C(N[C@H](Cn1nccn1)c1ccccc1)c1ccc(Cl)c(Cl)c1 245070518 QNGKEXGVKYYOKW-MRXNPFEDSA-N 361.232 3.756 0 40 FHAB COc1ccc(OC)c(NC(=O)CSc2nccn2-c2ccccc2)c1 2723005 NSTGJQXEUQMHQD-UHFFFAOYSA-N 369.446 3.620 0 40 FHAB COc1ccc(Cl)cc1-n1nnc(C(=O)Nc2ccc(C)cc2)c1C 2715835 FWEGXCVUFPLUBU-UHFFFAOYSA-N 356.813 3.798 0 40 FHAB CCCn1cc(S(=O)(=O)c2ccc(F)cc2)c(=O)c2cc(F)ccc21 4193267 WUSKNZUTTHGGOW-UHFFFAOYSA-N 363.385 3.523 0 40 FHAB COC(=O)c1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2cccc(C)c2)C(=S)N1 4372255 QCLIBIYXPHWCSH-OXQOHEQNSA-N 368.458 3.716 0 40 FHAB COc1ccc(CC(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1OC 7345126 ZZXYFGSTSDMIRZ-UHFFFAOYSA-N 369.446 3.712 0 40 FHAB CC1(C)Cc2cccc(OCC(=O)NCCc3ccc(Cl)cc3)c2O1 7453778 PLGZWBRRCHMPLB-UHFFFAOYSA-N 359.853 3.791 0 40 FHAB O=c1c2ccc(Cl)cc2nc2sc(Nc3cc(F)ccc3F)nn12 17149752 LXKHFTDDLGPDAJ-UHFFFAOYSA-N 364.764 3.979 0 40 FHAB Cc1ccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCOCC2)cc1C 23180953 UASPYWVWLKQUQL-LPHOPBHVSA-N 358.507 3.557 0 40 FHAB Cc1cccc(NC(=O)CNC(=O)N[C@@H](c2ccccc2)C(C)C)c1C 10493980 PSTZEDLVGNKVPN-HXUWFJFHSA-N 353.466 3.938 0 40 FHAB O=C(c1ccccc1NCc1c(F)cccc1Cl)N1CCC[C@H](O)C1 59803092 MYPKGMANSINLOR-ZDUSSCGKSA-N 362.832 3.688 0 40 FHAB C[C@H](C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)n1cncn1 29821993 SBEJNFBVBBDSBI-LFPRZYRFSA-N 350.466 3.946 0 40 FHAB O=C(COC(=O)c1cc2ccccc2o1)Nc1nc2ccccc2s1 806234 XQZYJFMJKZMCND-UHFFFAOYSA-N 352.371 3.838 0 40 FHAB COC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)cc1 11916771 CTHUSXLQIMLCSL-UHFFFAOYSA-N 354.337 3.828 0 40 FHAB CC(=O)c1cccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccc(F)cc2)c1 1343540 SDHKWLLJPFTAMO-SFHVURJKSA-N 369.396 3.663 0 40 FHAB COc1ccc(Oc2ccc(CNc3cc(Cl)nc(N)n3)cn2)cc1 52310335 TXEBDWDQYYAQLA-UHFFFAOYSA-N 357.801 3.520 0 40 FHAB C[C@@H](NC(=O)NCc1nc2ccccc2s1)c1ccc2c(c1)OCCO2 32863103 MYGJWTOQJGYPBL-GFCCVEGCSA-N 369.446 3.628 0 40 FHAB COc1ccccc1NC(=O)CSc1nnc(C)n1-c1cccc(C)c1 4500596 IXRRTFCKBKBFAR-UHFFFAOYSA-N 368.462 3.624 0 40 FHAB C[C@H]1CCc2c(sc3nc(C4CC4)n4c(SCC(=O)O)nnc4c23)C1 4848545 DIRXXUJAKUDTFS-QMMMGPOBSA-N 374.491 3.518 0 40 FHAB Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccnc2)nc1 2703688 DCGXHZJGPATDIZ-IBGZPJMESA-N 369.380 3.641 0 40 FHAB CCCn1nnnc1COC(=O)c1ccc(-c2ccc(Cl)cc2)s1 7464286 XUPQIYBYPICOJN-UHFFFAOYSA-N 362.842 3.822 0 40 FHAB O=C(CN1CCC[C@@H]2CCCC[C@@H]21)Nc1cc(Cl)ccc1-n1cncn1 7587825 OVSPXCMOPYZHSQ-YOEHRIQHSA-N 373.888 3.514 0 40 FHAB O=C(O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 7882475 OMEYNFYONFCQNN-MRXNPFEDSA-N 374.396 3.530 0 40 FHAB CN(Cc1cnn(-c2ccccc2)n1)Cc1ccccc1OC(F)(F)F 32927397 XVCXXDFYSJECAU-UHFFFAOYSA-N 362.355 3.798 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(C)c(C)s3)C2)nc1 46818261 IFLQLVGELDWDJL-OAHLLOKOSA-N 357.479 3.559 0 40 FHAB CCC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1 9062204 MMUCXKVYAZFBTH-UHFFFAOYSA-N 352.419 3.806 0 40 FHAB C[C@H](CC(=O)O)CC(=O)N1CCC[C@H]1c1cccc(Br)c1 61836594 GAGDNJPNMJPFLX-FZMZJTMJSA-N 354.244 3.614 0 40 FHAB COc1ccc(C(=O)Nc2ccn(Cc3ccccc3Cl)n2)c(OC)c1 1002315 NEBOMZRPCRBSJK-UHFFFAOYSA-N 371.824 3.854 0 40 FHAB Cc1ccc(OCc2ccc(C(=O)NCCCn3nc(C)cc3C)o2)cc1 23877576 LQOGQTNJKJDEAH-UHFFFAOYSA-N 367.449 3.800 0 40 FHAB COc1ccc(CCNC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)cc1 42926834 FSTDILUEBPIPMZ-IBGZPJMESA-N 366.465 3.811 0 40 FHAB COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1cc(C(=O)O)cs1 12548553 FCCURDFGMNBWAG-UHFFFAOYSA-N 369.464 3.553 0 40 FHAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 100179126 AHRHOXMJGPWESI-MTYIDNOTSA-N 367.754 3.916 0 40 FHAB COc1ccc(-c2nc(C)c(C(=O)Nc3cccnc3)s2)cc1OC 12517479 NHEKGALJABDYPV-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB CC(=O)Nc1nc2ccc(NC(=O)c3[nH]c(C)c(C(C)=O)c3C)cc2s1 43273374 NPKGEEZMUWJVLZ-UHFFFAOYSA-N 370.434 3.655 0 40 FHAB Cc1cc(I)ccc1-n1nc(C(F)(F)F)cc1O 100164434 IHTWJVSRUXRRPM-UHFFFAOYSA-N 368.096 3.510 0 40 FHAB Cc1cc(NC(=O)COC(=O)Cc2ccsc2)ccc1Br 3219567 LJDQMCJKXOUJGR-UHFFFAOYSA-N 368.252 3.543 0 40 FHAB CCOc1ccc(Oc2ccc(N[C@@H](C)C(=O)N3CCOCC3)cc2)cc1 57024594 HECQDLWFYIXSDV-INIZCTEOSA-N 370.449 3.537 0 40 FHAB CCOc1ccc(C(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1OCC 59018163 PXMODOBJRDSWGB-IAGOWNOFSA-N 362.514 3.582 0 40 FHAB Cc1noc(C)c1CC(=O)NC1(c2ccc(Br)cc2)CCC1 55821690 RAQXFRKERYKQEM-UHFFFAOYSA-N 363.255 3.792 0 40 FHAB COc1cc(NC(=O)CSCc2cc(C)on2)c(OC)cc1Cl 27191255 ICGUXCWJLGOYSL-UHFFFAOYSA-N 356.831 3.526 0 40 FHAB Cc1ccc(CNC(=O)CSc2nnc3sc4ccccc4n23)cc1 3309353 FMSMBWPDUMJATA-UHFFFAOYSA-N 368.487 3.661 0 40 FHAB Cc1cc(C)c([C@@H](C)NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1C 22540514 OCACFEMEHSQSAQ-OAHLLOKOSA-N 358.869 3.759 0 40 FHAB COc1ccc(CC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)cc1 58202389 YLZXYIQBAGIVAC-GOSISDBHSA-N 355.434 3.619 0 40 FHAB CC[C@@H](C)NC(=O)N1CCC[C@H](CN(C(=O)OC(C)(C)C)C(C)C)C1 58291553 JIGZEZPIGNIREQ-CVEARBPZSA-N 355.523 3.852 0 40 FHAB O=C(NCCCSc1ccc(F)cc1)c1cc(O)nc2ccccc12 12784445 GKVWEYKWLHCOCX-UHFFFAOYSA-N 356.422 3.992 0 40 FHAB O=C(O)CCCCCNC(=O)Cc1csc(-c2cccc(Cl)c2)n1 36366657 QSUJHVADEQZITL-UHFFFAOYSA-N 366.870 3.767 0 40 FHAB CC(C)(C)OC(=O)NCCc1nnc(SCc2ccccc2F)o1 2394965 MUYSADJBQRZOAD-UHFFFAOYSA-N 353.419 3.568 0 40 FHAB CC[C@H](NC(=O)c1cc(C2CC2)nc2c1cnn2C)c1ccc(OC)cc1 36616623 XMIBGBYAXFGKTD-SFHVURJKSA-N 364.449 3.735 0 40 FHAB Cc1ccc(Cl)cc1-n1ncc2c1ncn1nc(-c3ccco3)nc21 2411531 DFYJVPJHABQUEG-UHFFFAOYSA-N 350.769 3.685 0 40 FHAB COc1ccc([C@@H]2N=C(S)NC3=C2CCc2ccccc23)cc1OC 2484633 UPWWMFGRFVAGGJ-SFHVURJKSA-N 352.459 3.991 0 40 FHAB Cc1cc(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c(C)n1C(C)C 11531095 CFYHZDDTWZRBRK-UHFFFAOYSA-N 357.845 3.876 0 40 FHAB CCOC(=O)CCCCC(=O)c1ccc(I)cc1 2580301 ZUWNSPNKRJDBTI-UHFFFAOYSA-N 360.191 3.597 0 40 FHAB O=C(O)C1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc23)CC1 3411449 YCKBZIJWVXFBKL-UHFFFAOYSA-N 357.410 3.798 0 40 FHAB COc1ccc(NC(=O)[C@@H](C)Sc2nnc(C3CC3)n2C2CC2)cc1 8257650 DRDZRRBVBUKSSH-LLVKDONJSA-N 358.467 3.618 0 40 FHAB CCN(CC(=O)NC[C@@H](c1ccccc1Cl)N(C)C)c1ccccc1 70004334 AWSIIJSYLNXIAS-IBGZPJMESA-N 359.901 3.585 0 40 FHAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccc(F)c(Cl)c1 12906289 GODQTEBJORIMCC-UHFFFAOYSA-N 373.815 3.834 0 40 FHAB Cc1cc(C)cc(OCC(=O)NCc2c(C)nn(-c3ccccc3)c2C)c1 8388226 XSWPONLGLTVRNV-UHFFFAOYSA-N 363.461 3.801 0 40 FHAB CCOc1cc2c(cc1[C@H]1SCC(O)=Nc3[nH]nc(C)c31)O[C@H](C)C2 49548115 CWKSQLJJHCGSAP-VVVCHXIZSA-N 359.451 3.864 0 40 FHAB COCCNc1nc(Nc2ccc(C)cc2)c2cnn(-c3ccccc3)c2n1 17042498 AFEUUDCBTCENEQ-UHFFFAOYSA-N 374.448 3.926 0 40 FHAB C[C@H]1C[C@H]1c1ccc(CCC(=O)NCc2ccc(N3CCCC3=O)cc2)o1 14139738 SOQOEORWIBFXSZ-HNAYVOBHSA-N 366.461 3.779 0 40 FHAB COc1ccc(NC(=O)COc2ccc(F)c3c2C(=O)C[C@@H]3C)c(OC)c1 14124741 USTHADPBOBBCPZ-NSHDSACASA-N 373.380 3.550 0 40 FHAB CC(C)Cc1nc2sc3c(NCCCN)ncnc3c2c2c1CCC2 5429030 BINMXOKQUNJZJO-UHFFFAOYSA-N 355.511 3.687 0 40 FHAB C[C@@H]1CCc2c(sc3ncnc(NS(=O)(=O)c4cccs4)c23)C1 4647495 CFWCXZWAQSVJRA-SECBINFHSA-N 365.505 3.678 0 40 FHAB Cc1nn(Cc2ccccc2)c(Cl)c1[C@H]1NC(=O)c2ccccc2N1 8706810 NWOVXPQVAHTUEC-GOSISDBHSA-N 352.825 3.747 0 40 FHAB O=C([C@@H](Sc1nc2ccccc2o1)c1ccccc1)N1CCOCC1 6840777 WAAGAUSRSHKVIE-KRWDZBQOSA-N 354.431 3.520 0 40 FHAB COc1ccc([C@H](C)NC(=O)c2cnc(-c3ccccc3)nc2)c(OC)c1 66915007 SYUDKXCBUVKIFD-AWEZNQCLSA-N 363.417 3.652 0 40 FHAB COc1cc(CC(=O)OCc2ccc(Cl)cc2)cc(OC)c1OC 4966407 PVKVMEMBJLCZQD-UHFFFAOYSA-N 350.798 3.652 0 40 FHAB O=C(CN1C(=O)CSc2ccccc21)Nc1ccc(F)cc1Cl 8751899 HVLSMCDIQTUCDF-UHFFFAOYSA-N 350.802 3.557 0 40 FHAB Cc1ccc(NC(=O)CSCC(=O)NCc2ccc(Cl)cc2)cc1 7608678 LMWCODMZTKWRGB-UHFFFAOYSA-N 362.882 3.637 0 40 FHAB C[C@H]1c2ccsc2CCN1C(=O)C1CCN(C(=O)c2cccs2)CC1 7830535 WODKOHZBHPBKTA-ZDUSSCGKSA-N 374.531 3.808 0 40 FHAB COc1c2c(cc3c1[C@@H](c1c[nH]c4cc(F)ccc14)N(C)CC3)OCO2 8879918 HRVDDWSWDXRXPC-GOSISDBHSA-N 354.381 3.622 0 40 FHAB biogenic CCc1nc(C(=O)NCc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)co1 97108250 JMCKFGDIEPXWLU-ZDUSSCGKSA-N 373.453 3.753 0 40 FHAB Cc1cc(NC(=O)NC[C@H](c2ccco2)N(C)C)ccc1N1CCCC1 71850090 LGVLHIMYENRFMM-GOSISDBHSA-N 356.470 3.613 0 40 FHAB Cc1ccc2cccc(NC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)c2n1 95400124 MAAIXTZDOPCKOX-HNNXBMFYSA-N 355.438 3.739 0 40 FHAB O=C(Nc1cccnc1-n1cccn1)c1ccc(COc2ccccc2)o1 25010102 RKQJJJXEGKYSIS-UHFFFAOYSA-N 360.373 3.692 0 40 FHAB Cc1cc(Br)cc2cc(C(=O)N[C@@H](CCO)C(C)C)oc12 95982685 RIFYTNREPIVBGI-ZDUSSCGKSA-N 354.244 3.641 0 40 FHAB Cc1cc(CN2CCC3(CC2)C[C@@H]3c2nnc(-c3ccccc3)o2)on1 75134646 KMWIHXYOJWUKCH-QGZVFWFLSA-N 350.422 3.803 0 40 FHAB C[C@@H](c1cccc(F)c1)N1CCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1 89905215 ALLZXAGNALPOLH-GJZGRUSLSA-N 360.477 3.946 0 40 FHAB COc1cccc2c1N(C(=O)c1ccn(-c3ccccc3F)n1)CCC2 75567441 XZFFDRNJIIOUIZ-UHFFFAOYSA-N 351.381 3.613 0 40 FHAB CC(C)c1ccccc1OCC(=O)Nc1ccc2c(c1)sc(=O)n2C 21355032 XERLSLBJSBBXQB-UHFFFAOYSA-N 356.447 3.741 0 40 FHAB O=C(c1ccc(C(F)(F)F)cc1)N1CCN2CCc3ccccc3[C@@H]2C1 36125826 ZPOXIIFLTDWBPY-SFHVURJKSA-N 360.379 3.761 0 40 FHAB Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(C(=O)c3nccn3C)C2)n1 72356217 PXZWWKGXTQUVEU-HXUWFJFHSA-N 374.488 3.734 0 40 FHAB Cc1ccccc1NC(=O)CC[C@H]1N=C(O)N([C@@H](C)c2ccccc2)C1=O 36597239 PXOUVTBTWKZDIH-MAUKXSAKSA-N 365.433 3.600 0 40 FHAB Cc1nc(-c2ccc(CCNC(=O)Cc3c(C)noc3C)s2)cs1 32837337 QBZCWYYPBIWKOI-UHFFFAOYSA-N 361.492 3.686 0 40 FHAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccc(Cl)cc1)c1cccnc1 72396946 BPGAEAFRYVTTQP-SFHVURJKSA-N 366.852 3.787 0 40 FHAB CCCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1c(F)cccc1Cl 40486278 XMEJPWHWUGXGCR-HNNXBMFYSA-N 364.808 3.703 0 40 FHAB FC(F)(F)c1cc(Oc2ccccc2)nc(NC(=S)NC2CC2)n1 226004623 ADXWPLRDFJPFBA-UHFFFAOYSA-N 354.357 3.737 0 40 FHAB CCN(c1ccccc1C(=O)O)S(=O)(=O)c1cc(Cl)ccc1Cl 226855538 GSOAKLOUKSBZHC-UHFFFAOYSA-N 374.245 3.907 0 40 FHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)[nH]1 223485467 XGJPWSZRGINUKW-RBUKOAKNSA-N 363.490 3.594 0 40 FHAB CCOC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c(C)c1 223227540 AWPQWRILUFJIDL-UHFFFAOYSA-N 367.445 3.859 0 40 FHAB COc1cc(NC(=O)NCc2ccc(Cl)cc2)cc(OC)c1OC 40096259 CCRPQOGOBYQSJS-UHFFFAOYSA-N 350.802 3.688 0 40 FHAB O=S(=O)(NCCOc1ccc2ccccc2c1)c1ccc(Cl)cc1 223602920 BNHKCPMQOKSFMC-UHFFFAOYSA-N 361.850 3.851 0 40 FHAB COc1ccc(OC)c([C@@H](C)NS(=O)(=O)Cc2ccccc2Cl)c1 222994155 HODAJFFWTXCTPD-GFCCVEGCSA-N 369.870 3.538 0 40 FHAB CCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C 224765649 RKYNHTXYSHCWMR-FQEVSTJZSA-N 352.478 3.561 0 40 FHAB CC(C)Oc1cccc(CCCNC(=O)CCc2ccc3c(c2)OCO3)c1 222652178 BYTQOOIJGAZQMW-UHFFFAOYSA-N 369.461 3.884 0 40 FHAB COc1cccc(COC(=O)c2snnc2-c2ccccc2)c1OC 223833508 MIXTYVABSUKDPK-UHFFFAOYSA-N 356.403 3.579 0 40 FHAB O=C(c1ccc2[nH]ccc2c1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 220752481 PMSYDUYJRQCWPP-CYBMUJFWSA-N 350.422 3.523 0 40 FHAB Fc1ccc(CN2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)cc1 96051904 UITDDAIRKQRWLI-GHTZIAJQSA-N 356.441 3.671 0 40 FHAB COc1ccc2c(c1)C1(CC1)CN(C(=O)c1cc(Cl)cc(F)c1N)C2 581346754 SLKJZZLKXCACEC-UHFFFAOYSA-N 360.816 3.758 0 40 FHAB Cc1nc(C)c(-c2nn3c(-c4cc(C(C)(C)C)[nH]n4)nnc3s2)s1 95480491 WCFZTXTVWFUMAF-UHFFFAOYSA-N 359.484 3.614 0 40 FHAB CC(C)c1ncc(CN2C[C@@H]3[C@@H](CCC[C@@]3(O)c3ccc(F)cc3)C2)cn1 248197427 RENMGUPXFFASRP-UCNVEGJOSA-N 369.484 3.859 0 40 FHAB O=C(NC[C@H](c1ccoc1)N1CCSCC1)Nc1ccccc1Cl 253408190 XEKRCVJDXMHVTL-MRXNPFEDSA-N 365.886 3.845 0 40 FHAB CCOc1ccc(C(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)cn1 1324007478 PJLIBSCJBRLGKX-FQEVSTJZSA-N 362.429 3.611 0 40 FHAB O=C(c1ncc(Cc2ccccc2)o1)N1CCC(OC2CCCC2)CC1 1328196053 BRVVAQBWMVWDAN-UHFFFAOYSA-N 354.450 3.829 0 40 FHAB CC(C)C[C@@H](C(=O)N[C@H](CC(F)(F)F)C(=O)O)c1ccc(Cl)cc1 659150769 GBEAWMNFOBRIMW-CHWSQXEVSA-N 365.779 3.992 0 40 FHAB Cc1ncc(C(=O)N2CCC[C@H](Cc3cccc4cccnc34)CC2)cn1 585178775 DWLDSNRSACVCMP-KRWDZBQOSA-N 360.461 3.818 0 40 FHAB O=C(NCc1cncc(-c2cccnc2)c1)c1cccc(Br)c1 820305037 PJFSEHBSCWASHE-UHFFFAOYSA-N 368.234 3.836 0 40 FHAB Cc1cc(C(=O)Nc2ccc(N(C)C)cn2)c(C)n1Cc1cccs1 89578011 SRDKMIKSOPLTQF-UHFFFAOYSA-N 354.479 3.928 0 40 FHAB CC(C)(C)OC(=O)NCC(=O)Nc1ccc(Cl)c(Br)c1 88209388 PJEQZAZHNRHNIO-UHFFFAOYSA-N 363.639 3.566 0 40 FHAB Cc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)NC3CCCC3)cs2)cc1 5564622 FQBJPKZMAADGCH-CYBMUJFWSA-N 358.463 3.723 0 40 FHAB CCCCCOC(=O)c1c(C)oc2cc(C)c(NS(C)(=O)=O)cc12 11615740 LQJPYJGMLPJCMC-UHFFFAOYSA-N 353.440 3.768 0 40 FHAB O=C(CCn1c(-c2ccncc2)cc2cccnc21)NCc1cccs1 12327976 CWMZYOOXCSQDPZ-UHFFFAOYSA-N 362.458 3.866 0 40 FHAB C[C@@H](Sc1nnnn1Cc1ccccc1)C(=O)c1ccc2c(c1)CCC2 16448098 ANSUWOIUJGWEOH-CQSZACIVSA-N 364.474 3.574 0 40 FHAB CN(C)CCC1CCN(C(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)CC1 19664319 KEPYCRPVSPLGEJ-MRXNPFEDSA-N 361.530 3.630 0 40 FHAB CCOc1ccc(OC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 6220066 LUBGEGWCWOPAKE-IZZDOVSWSA-N 358.390 3.730 0 40 FHAB O=C(OCCNc1nc(-c2ccccc2)nc2ccccc12)c1cccnc1 1912354 BXYRCDZUINXBPI-UHFFFAOYSA-N 370.412 3.961 0 40 FHAB biogenic,in-vitro O=C(NC1(c2cccc(F)c2)CCCC1)c1cccc(-n2cnnc2)c1 12148410 YAJWRLDXLGFSBW-UHFFFAOYSA-N 350.397 3.606 0 40 FHAB NC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCN(Cc2ccccc2)C1 19371774 XCWSWUMNGYESFL-DEOSSOPVSA-N 371.484 3.669 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccc(Cl)s1 4242284 UUTKCKDDGTWMEO-UHFFFAOYSA-N 369.826 3.563 0 40 FHAB O[C@@]1(c2ccccc2)CN(c2ccc(Br)cc2)C2=[N+]1CCCC2 2966176 YRKDGLJQEMFVGK-LJQANCHMSA-N 372.286 3.709 0 40 FHAB Cc1ccc(N2C[C@](O)(c3ccc(OC(F)F)cc3)[N+]3=C2CCCC3)cc1 2966200 MKNPLIZXPBRWES-NRFANRHFSA-N 373.423 3.857 0 40 FHAB Cc1ccc(C(=O)Oc2coc(CSc3ncccn3)cc2=O)cc1C 4377178 ZBVDNXKCNOVTRW-UHFFFAOYSA-N 368.414 3.558 0 40 FHAB CCS(=O)(=O)c1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1 4304856 WXWAXCWULJDRRY-UHFFFAOYSA-N 368.380 3.897 0 40 FHAB NC(=O)c1c(NC(=O)CCCSc2ccccc2)sc2c1CCC2 15822871 WUEQUHZOKBGGMP-UHFFFAOYSA-N 360.504 3.847 0 40 FHAB CO[C@@H](CCSC)CNC(=O)NC(c1ccccc1)c1ccccc1 1775966902 NVNDHBHRAOEOOG-SFHVURJKSA-N 358.507 3.843 0 40 FHAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1ccc(OC)cc1 100890815 GRHOTBGQXWARMI-UZLBHIALSA-N 354.406 3.864 0 40 FHAB Cc1cc(C)n(-c2ccc(NC(=O)CSCc3cccs3)cn2)n1 31217495 RSQDILBGODVAJJ-UHFFFAOYSA-N 358.492 3.818 0 40 FHAB O=C(NCCCN1CCc2ccccc21)c1cccc(Br)c1 29520411 OUVBBVHFNVGMAD-UHFFFAOYSA-N 359.267 3.632 0 40 FHAB O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc[nH]1 2623708 TUOUOQLZVLKCKO-UHFFFAOYSA-N 371.396 3.907 0 40 FHAB O=C(Nc1cccc(Cl)c1Cl)[C@H]1CC(=O)N(Cc2ccccc2)C1 1087735 WHSRCGKNQMNARH-ZDUSSCGKSA-N 363.244 3.981 0 40 FHAB O=S1(=O)c2cccc3cccc(c23)N1Cc1ccc(-n2cccn2)cc1 21379619 DBPKFQMTQPMBAF-UHFFFAOYSA-N 361.426 3.734 0 40 FHAB CCOc1ccccc1-c1nc(CC(=O)NCc2ccc(C)n2C)cs1 21328347 WLDAJAFTWJKKST-UHFFFAOYSA-N 369.490 3.715 0 40 FHAB CC[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1cc(C)on1 32758484 OUUAIPYEZPYPMJ-NSHDSACASA-N 357.179 3.681 0 40 FHAB Cc1cccc(NC(=O)CN2CCC(C(=O)c3ccc(F)cc3)CC2)c1C 1336355 QPDUOROBAJWQAG-UHFFFAOYSA-N 368.452 3.976 0 40 FHAB Cc1noc2nc(C3CC3)cc(C(=O)OCCOc3ccccc3F)c12 32869355 JAUVWXIFGGRMIW-UHFFFAOYSA-N 356.353 3.784 0 40 FHAB O=C(CCC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 32962459 RLQQXSZMNGJHMH-JXMROGBWSA-N 362.473 3.507 0 40 FHAB CCOC(=O)[C@@H]1CSCCN1C(=O)c1ccc(Oc2ccccc2)cc1 32902916 AEQJOSICZZYKSH-SFHVURJKSA-N 371.458 3.600 0 40 FHAB Cc1ccc(C)c(CS(=O)(=O)[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1 32929571 FIADSBCDYZIZEL-KLICCBINSA-N 365.539 3.548 0 40 FHAB COc1ccc(OC)c(CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 6540140 IUGJQPHHQXKFDV-HIGJEIRPSA-N 357.494 3.967 0 40 FHAB COc1ccc(S[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1 7190881 OZNJGWHHRLQLPF-MRXNPFEDSA-N 356.491 3.525 0 40 FHAB COc1ccc(OC)c([C@@H]2Nc3nonc3N=C3CC(C)(C)CC(O)=C32)c1 102742076 JKKUQCGAMGBGRT-INIZCTEOSA-N 370.409 3.958 0 40 FHAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 100377240 YBZPUNZGOXWAAB-BRFGJLLKSA-N 367.754 3.916 0 40 FHAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2cccc(N3CCNC3=O)c2)o1 47041421 TYJSSCGXSZWICE-QUUHOVBSSA-N 351.406 3.585 0 40 FHAB CC(C)n1nc(C(=O)N(C)[C@H](C)c2cccs2)c2ccccc2c1=O 53313589 XTNKHJJQAXNZPJ-CYBMUJFWSA-N 355.463 3.872 0 40 FHAB COc1ccc(NC(=O)c2cc(Br)ccc2F)cc1OC 8726225 LGANPNQBNDDYEV-UHFFFAOYSA-N 354.175 3.858 0 40 FHAB COc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1OC 8726525 RLOGOBHWSSKFIF-UHFFFAOYSA-N 355.312 3.740 0 40 FHAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)(C)CO2 8959328 NWLTZFSHLFVJKN-UHFFFAOYSA-N 368.433 3.719 0 40 FHAB Cc1cc(C(F)(F)F)nn1C[C@@H](C)c1nc2c3ccccc3ncn2n1 2806422 QWCPTPYZFAUOGM-SNVBAGLBSA-N 360.343 3.605 0 40 FHAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)/C=C/c1ccc(F)cc1 12311208 HVZOTFSHGDXUMP-SCNWZZHGSA-N 350.437 3.982 0 40 FHAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccc2ccccc2c1 10994509 QHJALAPGAWEVEA-OAHLLOKOSA-N 353.393 3.941 0 40 FHAB Cc1ccc(-c2nnc(CSc3nc4sccc4c(=O)n3C)o2)cc1 23172460 VBVGJMMPUBRQQK-UHFFFAOYSA-N 370.459 3.646 0 40 FHAB CCc1c(C)c2ccc(OCC(=O)Nc3ccccc3OC)cc2oc1=O 917767 FLWNUKVDNPZGME-UHFFFAOYSA-N 367.401 3.690 0 40 FHAB O=C(NC1CCCCC1)c1ccc(NS(=O)(=O)c2cccs2)cc1 9859275 QAFMKAMENJVKKM-UHFFFAOYSA-N 364.492 3.611 0 40 FHAB O=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(F)c(F)c1F 12596009 XQAYCWSMWBLPOA-UHFFFAOYSA-N 356.731 3.516 0 40 FHAB COc1ccc(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)c(OC)c1 57369068 LZIDDYGODIGNGN-INIZCTEOSA-N 371.433 3.904 0 40 FHAB CSc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2F)C(C)C)cc1 29994184 ZGCNTHZGRKXRKH-KRWDZBQOSA-N 360.454 3.941 0 40 FHAB COC(=O)c1cc(CNC(=S)Nc2cccc(C)c2C)ccc1OC 3325959 CDIJRFAHHZUCDQ-UHFFFAOYSA-N 358.463 3.585 0 40 FHAB O=C(Cn1nc(C(F)(F)F)cc1C1CC1)N[C@@H]1CCCc2ccccc21 27936941 LLAMXKVKKDFBQX-OAHLLOKOSA-N 363.383 3.973 0 40 FHAB O=C(NC1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1F 27698623 UPFRCVVOWQWEAY-YQQQUEKLSA-N 352.453 3.794 0 40 FHAB CCOc1ccc([C@H]2C[C@H](c3ccccc3OC)n3ncnc3N2)cc1 2369340 JJVIPUHAVYLQPG-QZTJIDSGSA-N 350.422 3.832 0 40 FHAB CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 12758432 WUERNXINFRVDBZ-UHFFFAOYSA-N 366.870 3.669 0 40 FHAB COCCN1C(=O)S/C(=C/c2cc(C)n(Cc3ccccc3)c2C)C1=O 409146981 LYNFOCWYFYVEHE-LDADJPATSA-N 370.474 3.836 0 40 FHAB O=C(Nc1ccc(F)c(Cl)c1)c1cc2c(=O)n3ccccc3nc2s1 2466866 UOWXBKBBPYOEJT-UHFFFAOYSA-N 373.796 3.954 0 40 FHAB Cc1cc2nnc(SCC(=O)N3C[C@H](C)C[C@@H](C)C3)n2c2ccccc12 3496063 HWHAKVKPFMTPSD-ZIAGYGMSSA-N 368.506 3.788 0 40 FHAB COc1cccc([C@H](CNC(=O)Nc2ccccc2F)N2CCCC2)c1 12977116 IMJYVEIXGJZFEP-IBGZPJMESA-N 357.429 3.793 0 40 FHAB CC(C)n1ncc2cc(C(=O)NCCSCc3cccs3)cnc21 13011154 YDZVEEWLDGAJIU-UHFFFAOYSA-N 360.508 3.737 0 40 FHAB Cc1ccccc1-n1cnnc1SCC(=O)N1CC[C@H]2CCCC[C@@H]2C1 9364172 ADORKIIAVZKMON-IAGOWNOFSA-N 370.522 3.707 0 40 FHAB Cc1ccc(OCCCC(=O)NCc2ccccc2-n2ccnc2C)cc1 20488002 WPKPAUZNEOTNBY-UHFFFAOYSA-N 363.461 3.965 0 40 FHAB CCCCOc1cc(C)c(Cl)cc1S(=O)(=O)NCc1ccco1 8714682 KDSCFJJUMNNPTI-UHFFFAOYSA-N 357.859 3.899 0 40 FHAB OC1(c2cccc(C(F)(F)F)c2)CCN(C(=S)NC2CCCC2)CC1 9481847 ZIWXUWHLXUCWJS-UHFFFAOYSA-N 372.456 3.806 0 40 FHAB CN(Cc1cc2cccc3c2n(c1=O)CC3)C(=S)Nc1cccc(F)c1 13724035 PHZFEKIRKXJILP-UHFFFAOYSA-N 367.449 3.526 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 5127272 LSVCVZAWSVQZNN-XSXQVXRUSA-N 353.462 3.724 0 40 FHAB Cc1ccc(C(=O)c2cn(-c3nccc(-c4ccc(C)cc4)n3)nn2)cc1 8857211 PPRIFTQPYUUTDD-UHFFFAOYSA-N 355.401 3.572 0 40 FHAB Cc1cc(C)cc(-n2nc(C)cc2NC(=O)c2ccc([S@](C)=O)cc2)c1 65567581 YSCBCXZQZAZJHM-AREMUKBSSA-N 367.474 3.787 0 40 FHAB CCCn1c(C)cc(C(=O)COC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1C 4548376 PVXOGWWFVIJWFY-UHFFFAOYSA-N 358.438 3.702 0 40 FHAB CCc1ccc(C2=NN(C(=O)c3ccccc3)[C@@](O)(C(F)(F)F)C2)cc1 409100418 VVZZESNDPNQOMW-SFHVURJKSA-N 362.351 3.750 0 40 FHAB O=C(Nc1cccc(-n2cnnn2)c1)c1ccc(-c2ccc(Cl)cc2)o1 5485262 ADFXNZIHBSFZLV-UHFFFAOYSA-N 365.780 3.828 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)[C@]1(C)CC1(Br)Br 4651033 ZJYJCDRTXBZNPQ-NGZCFLSTSA-N 353.098 3.577 0 40 FHAB CC(=O)Nc1ccccc1OS(=O)(=O)c1ccc(Cl)cc1Cl 4749149 BTKFBVYSDQLZMG-UHFFFAOYSA-N 360.218 3.720 0 40 FHAB COc1cccc(/C=C/C(=O)OCC(=O)N(c2ccccc2)C(C)C)c1 5778472 WINOJFCKJWHVQC-OUKQBFOZSA-N 353.418 3.693 0 40 FHAB O=C(COc1ccc(N2CCCC2=O)cc1)Nc1ccc(F)c(Cl)c1 7025777 UQXRPGYVGDPABG-UHFFFAOYSA-N 362.788 3.623 0 40 FHAB C[C@H](OC(=O)C1c2ccccc2Oc2ccccc21)C(=O)NC(C)(C)C 15705381 JWALVLLEBAOELO-ZDUSSCGKSA-N 353.418 3.771 0 40 FHAB CC[C@@H](C)c1ccccc1OC(=O)CCc1nc(-c2ncccn2)no1 67958682 KXYSWAWJANYGDE-CYBMUJFWSA-N 352.394 3.578 0 40 FHAB O=C(Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12)c1csnn1 9250838 UAAIWNNWVJOYAX-UHFFFAOYSA-N 367.361 3.907 0 40 FHAB CCN(CC)c1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 9221295 ZMRYWCJNQUVWMR-CYBMUJFWSA-N 353.422 3.505 0 40 FHAB CCN(CC)Cc1ccc(CNC(=O)COc2ccc(Cl)cc2)cc1 7828461 XTGFAUNZUNWAEX-UHFFFAOYSA-N 360.885 3.877 0 40 FHAB O=C(c1cc2ccccc2[nH]1)N1CCC(O)(c2ccc(Cl)cc2)CC1 96116830 ZHUFQDYYQHPYOY-UHFFFAOYSA-N 354.837 3.945 0 40 FHAB c1csc(Cn2nnnc2SCc2cc(-c3cccs3)on2)c1 8339846 HSCWPBPFSFFZAI-UHFFFAOYSA-N 361.477 3.792 0 40 FHAB Cc1cc(C)n(C[C@H](C)C(=O)N[C@H]2[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)n1 409412853 SUMNUBBZRYWASY-DWEVHWGBSA-N 351.494 3.835 0 40 FHAB CCn1nnnc1Sc1nc(C)nc2scc(-c3ccccc3)c12 9515747 MXQHTZGGIBRLEO-UHFFFAOYSA-N 354.464 3.824 0 40 FHAB CCOc1cc(C(=O)Nc2ncc(C)s2)cc(Br)c1OC 9544419 FAXFOLYTERKQMP-UHFFFAOYSA-N 371.256 3.874 0 40 FHAB Cc1cccc(OC(F)F)c1NC(=O)NCC[C@@H](O)c1ccccc1 72309894 PELGTNQKPLQGMH-CQSZACIVSA-N 350.365 3.842 0 40 FHAB CN(CCCC(=O)Nc1ccccc1N1CCCC1)C(=O)OC(C)(C)C 72043500 ZWPZYIDHYSBAJY-UHFFFAOYSA-N 361.486 3.872 0 40 FHAB COc1ncccc1CNC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 83915328 OIEUFJQXNJDMIP-KBPBESRZSA-N 350.340 3.529 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)c(CN(C)C)c1 84505050 KRDLQYBCTCSMEE-UHFFFAOYSA-N 374.506 3.571 0 40 FHAB Cc1c(C(=O)N2CCC(Cc3cccnc3)CC2)oc2c1C(=O)CCC2 95458060 YUZZWGMJKHLDOJ-UHFFFAOYSA-N 352.434 3.597 0 40 FHAB NC1=Nc2nc3ccccc3n2[C@@H](c2ccc(-c3c(F)cccc3F)o2)N1 95959890 BEJHVMGOMWKLKQ-KRWDZBQOSA-N 365.343 3.671 0 40 FHAB CCOC(=O)c1cc2cc(NC(=O)N3CCOC[C@@H]3CC)ccc2s1 89949319 PBGFMOQDYHNTCN-AWEZNQCLSA-N 362.451 3.721 0 40 FHAB O=C1c2cccn2[C@H]2CN(Cc3cccs3)C[C@@H]2N1Cc1ccccc1 306126456 DWKFGAQYSHQECN-PMACEKPBSA-N 363.486 3.631 0 40 FHAB CCCn1ccc(C(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)n1 28240803 KTACJQDCPTVNLN-UHFFFAOYSA-N 351.454 3.715 0 40 FHAB O=C(Nc1ccc(-n2cnc(Cl)c2Cl)nc1)c1ccc(Cl)nc1 61718679 WAVXFGWXPDXOQN-UHFFFAOYSA-N 368.611 3.875 0 40 FHAB CC(C)CC1=NN(C(=O)CSCc2ccccc2)[C@@](O)(C(F)(F)F)C1 409361413 RSWSPQOFGJQESG-INIZCTEOSA-N 374.428 3.805 0 40 FHAB CCc1oc2ccccc2c1CC(=O)Nc1cnn([C@H]2CCOC2)c1C 529460482 OTLLCZZMYFUWPL-AWEZNQCLSA-N 353.422 3.643 0 40 FHAB COc1ccc2c(c1)c(CN1CCC[C@@H](Cn3ccnc3C)C1)c(C)n2C 72392147 VMSARXXENCBJRJ-GOSISDBHSA-N 366.509 3.912 0 40 FHAB Cc1cc2nc([C@@H]3CCCN(Cc4ccc(Cl)cc4)C3)cc(N)n2n1 72339775 CRZQYZPFWYWQPQ-OAHLLOKOSA-N 355.873 3.653 0 40 FHAB CCCC(=O)N1CCC[C@H](c2nccnc2Oc2ccccc2OC)C1 72361904 BXTRDBMLHSQZKO-HNNXBMFYSA-N 355.438 3.784 0 40 FHAB O=C(Nc1nnc(COc2ccccc2)o1)c1ccccc1C(F)(F)F 61973974 XXXBTRWCWBTIBM-UHFFFAOYSA-N 363.295 3.920 0 40 FHAB CC(C)Oc1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 32808853 RETASMLONUQPPH-UHFFFAOYSA-N 373.396 3.971 0 40 FHAB Cn1cc(CCCC(=O)Nc2cccc(-c3nc[nH]n3)c2)c2ccccc21 79490783 INHZCPBCXVSDLW-UHFFFAOYSA-N 359.433 3.925 0 40 FHAB CC(=O)O[C@H]1CC[C@]2(C)[C@H](CC[C@@]34O[C@@H]3C3=C(C)C(=O)O[C@@H]3C[C@H]42)C1(C)C 31163068 FEAJKDLCGUYWFP-YNWCVRRFSA-N 374.477 3.554 0 40 FHAB biogenic COc1cccc2c1CCN(C(=O)N[C@H]1CCCOc3cc(F)ccc31)C2 182654525 VPQKGZSVAKDRMN-SFHVURJKSA-N 370.424 3.816 0 40 FHAB O=C(Cc1cccnc1)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 72362369 PLXFPYDCKZUGQU-SFHVURJKSA-N 374.444 3.613 0 40 FHAB Cc1cnc(Nc2cccc([C@H]3CCCN3Cc3cn(C)nc3C)n2)s1 72375352 UCPJNTIKLXRZAB-QGZVFWFLSA-N 368.510 3.969 0 40 FHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1 223842696 DWCLSDYVLDUOQL-QZTJIDSGSA-N 351.431 3.866 0 40 FHAB Cc1cccc(-c2noc(CNC(=O)CSCc3ccccc3F)n2)c1 222712693 FBHKZKGSLHPRPA-UHFFFAOYSA-N 371.437 3.734 0 40 FHAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc[nH]1 224555176 SPDJOTPWTZGFBO-MSOLQXFVSA-N 350.447 3.595 0 40 FHAB Cc1cc(OCC(=O)Nc2ccc3c(c2)sc(=O)n3C)ccc1Cl 225047093 ZUALCWMBBMWBDM-UHFFFAOYSA-N 362.838 3.579 0 40 FHAB CN(C)[C@H](CNC(=O)/C=C/c1cccs1)c1cn(C)c2ccccc12 75149161 IJVLBLVAEDAPIY-GNISGLHKSA-N 353.491 3.672 0 40 FHAB COc1ccc(CN(C)C(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 222875609 XCDDGYMTEFTZNK-MRXNPFEDSA-N 353.462 4.000 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 223637846 GCDCSFDZZVRGFM-IBGZPJMESA-N 366.505 3.708 0 40 FHAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2C)ccc1Cl 223828100 HLIPTXSWRKBSTB-UHFFFAOYSA-N 374.245 3.889 0 40 FHAB CCO[C@](C)(CC)C(=O)Nc1ccc(OCCCN(CC)CC)cc1 225650765 VZOIVPSAOIKRQZ-HXUWFJFHSA-N 350.503 3.941 0 40 FHAB Fc1cccc(CN2CCC[C@]3(C[C@H](CNc4ccncc4)CO3)C2)c1 96075777 JDTZOSNZFMVBSC-NQIIRXRSSA-N 355.457 3.704 0 40 FHAB Cc1ccc(NC(=O)c2cc3c(=O)n4ccccc4nc3s2)cc1F 96347303 WMQXLZXYWGIPJY-UHFFFAOYSA-N 353.378 3.609 0 40 FHAB O=C(Cc1ccccc1)N1CCO[C@@H](c2cccc(Cc3ccccc3)n2)C1 257320698 VYCPFRRPOPPHCD-HSZRJFAPSA-N 372.468 3.815 0 40 FHAB O=C(c1cnco1)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257285606 PHYAFEHCCOOUNK-CQSZACIVSA-N 371.824 3.927 0 40 FHAB Cc1ncsc1C(=O)N1CCCC[C@H]1c1cn2cccc2c(N(C)C)n1 257256458 KLOWRWXCQQFUPP-HNNXBMFYSA-N 369.494 3.533 0 40 FHAB COc1ccccc1C(=O)N1C[C@H]2[C@@H](Oc3cccc(F)c3)CC[C@H]2C1 257250494 JMTMQQFQOYWSEC-QMIHWGKISA-N 355.409 3.764 0 40 FHAB CC(C)[C@@H](NC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1)C1CC1 620044149 AAKBHMCOLGBXLZ-GOSISDBHSA-N 363.523 3.714 0 40 FHAB Cc1ncsc1CCCN1CCc2c(ncn2-c2ccc(F)cc2)C1 1645263993 HXBRTVBWGRAUMI-UHFFFAOYSA-N 356.470 3.767 0 40 FHAB CNC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1 1115890981 NRUGDPCXBJAZPA-UHFFFAOYSA-N 361.401 3.831 0 40 FHAB Cc1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3cn[nH]c3)cs2)cc1 585295255 RUNGGPSSZAZBLD-KRWDZBQOSA-N 367.478 3.764 0 40 FHAB CC(=O)Nc1ccc(NC(=O)CN(Cc2ccco2)C2CCCC2)cc1 53139558 PSNLOQZATBAQCX-UHFFFAOYSA-N 355.438 3.621 0 40 FHAB COc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)cc(OC)c1 8107591 NMQLKOFVAHASGA-LDADJPATSA-N 369.442 3.983 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc(COc3cccc(C)c3)o2)c1 5294527 VNGRGKCJCMDGIJ-UHFFFAOYSA-N 369.446 3.996 0 40 FHAB CCc1cccc(C)c1NC(=O)COC(=O)Cc1c[nH]c2ccccc12 5399604 BKKIKLMGHDDYKF-UHFFFAOYSA-N 350.418 3.763 0 40 FHAB COc1ccc(C2=Nc3ccc(OC)cc3C(c3ccncc3)=NN2)cc1 5447894 WXKVSOYNAXORNE-UHFFFAOYSA-N 358.401 3.533 0 40 FHAB Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1 14404706 PETCVUQHRZMPTP-OUKQBFOZSA-N 360.417 3.931 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)C(C)C)ccc2C)cc1 17056188 WDRCTNIWAXHIQK-MRXNPFEDSA-N 374.506 3.879 0 40 FHAB Cc1nnc(S[C@@H](C(=O)N(C)C)c2ccccc2)n1Cc1ccccc1 17664674 RDOYIXJCICBJPJ-GOSISDBHSA-N 366.490 3.556 0 40 FHAB Cc1ccc(C2(CNC(=O)[C@H](C)n3ccnc3C(C)C)CCOCC2)cc1 19208642 BOGSRJHVNYEVPJ-SFHVURJKSA-N 369.509 3.741 0 40 FHAB CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)C(C)C)CCO1 19697912 CKRKDPPABCWIPT-OAHLLOKOSA-N 374.506 3.595 0 40 FHAB CCOC(=O)COc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OC 6326356 CWZOHYZHCVMSAO-WOJGMQOQSA-N 370.426 3.967 0 40 FHAB CC1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)CC1 7814786 DJODMNFQIBYARZ-MRXNPFEDSA-N 357.479 3.751 0 40 FHAB CCSc1nc2c(c(=O)n1-c1ccc(OC(F)(F)F)cc1)SCC2 4358871 HIRAEWRGZBCRGH-UHFFFAOYSA-N 374.409 3.891 0 40 FHAB O=C1N(Cc2ccccc2Cl)c2ccccc2[C@@]1(O)Cc1ccncc1 4710695 DUEMGPFRHVBKFM-NRFANRHFSA-N 364.832 3.712 0 40 FHAB O=c1sc2ccccc2n1Cc1nnc(S)n1-c1cccc(Cl)c1 5906662 XJHFFJHNGIQJBN-UHFFFAOYSA-N 374.878 3.634 0 40 FHAB O=C(Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2)c1ccco1 9037091 OTHPBTXOMFBDBH-UHFFFAOYSA-N 352.415 3.792 0 40 FHAB Cc1ccc(-c2cc(CNC(=O)COc3ccc(Cl)cc3)no2)cc1 11025845 TWXCDVJHTFTKNM-UHFFFAOYSA-N 356.809 3.999 0 40 FHAB COc1cccc(C(=O)NCc2cc(-c3ccc(F)cc3F)on2)c1OC 16960734 LNGBZBLZNARNNI-UHFFFAOYSA-N 374.343 3.567 0 40 FHAB O=C(COc1ccnc2c1CCCC2)Nc1nc(-c2ccco2)cs1 207011667 NJFRQUAKVGVALI-UHFFFAOYSA-N 355.419 3.694 0 40 FHAB O=C(NCC1CCN([C@@H]2CCOC2)CC1)Nc1ccc(Cl)c(Cl)c1 618256693 WBVYYBJBNZTIED-CQSZACIVSA-N 372.296 3.616 0 40 FHAB O=C(Cc1csc(-c2ccco2)n1)Nc1cccc(-n2cccn2)c1 40105194 MDCLNJRRXUDMAK-UHFFFAOYSA-N 350.403 3.770 0 40 FHAB CCCCc1ccc(-c2csc(NC(=O)[C@@H](C)S(C)(=O)=O)n2)cc1 40130467 YOLQTOBEWVKKDE-GFCCVEGCSA-N 366.508 3.524 0 40 FHAB COc1ccc(S[C@H](C)C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 40153893 JFCVWSWUOJCBTF-DYVFJYSZSA-N 364.536 3.656 0 40 FHAB COc1cccc(NC(=O)c2ccccc2-n2cnc3ccccc3c2=O)c1 40309566 CVEZFYHXJZVEKI-UHFFFAOYSA-N 371.396 3.647 0 40 FHAB biogenic O=C(NC1(c2ccccc2)CCC1)c1ccc2c(O)[nH]c(=S)nc2c1 51418711 BURCGIKYLRTYQO-UHFFFAOYSA-N 351.431 3.807 0 40 FHAB COc1ccc2nc(C)c(C(=O)Nc3ccc4c(c3)OCCO4)cc2c1 29688217 BAAUASVKRXYHTM-UHFFFAOYSA-N 350.374 3.575 0 40 FHAB O=C(OCC(=O)N1CCCC1)c1ccc(-c2nc3ccccc3s2)s1 2615876 IMIHWEPTIHLXJN-UHFFFAOYSA-N 372.471 3.804 0 40 FHAB COc1ccccc1OCc1nnc(SCC(=O)c2ccccc2)o1 876162 HBCRFTMQYLONSA-UHFFFAOYSA-N 356.403 3.632 0 40 FHAB Cc1ccc(C(=O)[C@H](OC(=O)C2=COCCO2)c2ccc(C)cc2)cc1 3536370 UZDMLKQGPADDHL-HXUWFJFHSA-N 352.386 3.659 0 40 FHAB CCc1ccccc1NC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 4888460 GOHSYYPTPKOHCO-UHFFFAOYSA-N 369.440 3.814 0 40 FHAB CCOc1ccccc1CCC(=O)Nc1cccc(N2CCCC2=O)c1 6988616 VQYYJLZTUQTBNQ-UHFFFAOYSA-N 352.434 3.783 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2ccccc2Cl)CC1 7875040 VAGGNZRFUTYACG-UHFFFAOYSA-N 372.852 3.919 0 40 FHAB CCOc1ccccc1N1C[C@@H](C(=O)Oc2ccc(CC)cc2)CC1=O 7929368 UGPKBNJJFZPQJQ-INIZCTEOSA-N 353.418 3.606 0 40 FHAB Cc1cc(NC(=O)N2CCc3sccc3[C@H]2c2ccccc2)n(C)n1 52797393 RWUJLLMLIDJMHL-GOSISDBHSA-N 352.463 3.970 0 40 FHAB O=C1NCCN1c1ccc(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1 46799948 AXWQOFCSXRNLJR-GOSISDBHSA-N 369.852 3.847 0 40 FHAB C[C@@H]1CCc2c(sc3ncn4nc(-c5ccn(C(F)F)n5)nc4c23)C1 2797663 XZILHHYJDKMRCM-MRVPVSSYSA-N 360.393 3.722 0 40 FHAB COc1ccc2c(CC(=O)Nc3cccc(C(=O)NC4CC4)c3)coc2c1 8231950 CYBFDHJUYMGZPN-UHFFFAOYSA-N 364.401 3.515 0 40 FHAB CCN(c1ccc(C(=O)Nc2cccc(Cl)c2C)cc1)S(C)(=O)=O 10008570 MXOGTYJGQFVMNF-UHFFFAOYSA-N 366.870 3.687 0 40 FHAB COc1ccccc1OCCNC(=O)CSCc1ccc(Cl)cc1 8064728 MYPGHXRCXQIJGF-UHFFFAOYSA-N 365.882 3.777 0 40 FHAB Clc1cc(Br)ccc1OCc1nnnn1-c1ccccc1 8275799 MQCZRHVSFILMDV-UHFFFAOYSA-N 365.618 3.657 0 40 FHAB Cc1ccccc1CN(C)C(=O)Cn1ncnc1-c1ccccc1Cl 103136720 BQKBIIAKJURGGG-UHFFFAOYSA-N 354.841 3.566 0 40 FHAB CCCCCn1c(CCNC(=O)COc2ccccc2)nc2ccccc21 2721457 JLBXUOCVSKPECC-UHFFFAOYSA-N 365.477 3.964 0 40 FHAB O=C(Nc1ccccc1)c1ccn(COc2c(F)c(F)cc(F)c2F)n1 2796621 WHAARIQBIBAZTH-UHFFFAOYSA-N 365.286 3.728 0 40 FHAB C[C@@H]1Oc2c(C(=O)N3CCN(Cc4ccccc4)CC3)cccc2[C@H]1C 22696540 ULQMHNYBKBCHFS-IRXDYDNUSA-N 350.462 3.529 0 40 FHAB C[C@@H](c1nnc(-c2cccs2)o1)N1CCN(Cc2ccccc2)CC1 22802364 VFCSATDKTKXXGX-HNNXBMFYSA-N 354.479 3.677 0 40 FHAB CCN1CCOc2ccc(NC(=O)c3c(F)cccc3Cl)cc2C1=O 9828118 IXVLWTBCDGTUES-UHFFFAOYSA-N 362.788 3.586 0 40 FHAB CN(C)CCNC(=O)c1cc2sccc2n1Cc1ccccc1Cl 37526405 JFJXIQKYXGCBHY-UHFFFAOYSA-N 361.898 3.696 0 40 FHAB CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cnoc3C)cc2)cc1 54349613 JRBZQCXWIOLYKL-UHFFFAOYSA-N 365.389 3.886 0 40 FHAB COc1ccccc1C(=O)Nc1cccnc1-n1cnc(Cl)c1Cl 61717666 VDSZAPWHRAGUPB-UHFFFAOYSA-N 363.204 3.835 0 40 FHAB Cc1ccc(-c2noc(CS(=O)(=O)c3cc(C)c(C)cc3C)n2)cc1 23125806 GKYHISHIGMTAMI-UHFFFAOYSA-N 356.447 3.944 0 40 FHAB COc1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]2[C@@H]2CC[C@@H]3C2)ccc1O 101940702 KNUWZJNVRUBDEL-MAMIUBEXSA-N 361.488 3.803 0 40 FHAB Cc1cccc(OCCNC(=O)CNc2ccccc2N2CCCCC2)c1 24040383 BHVHORJGZIKDTA-UHFFFAOYSA-N 367.493 3.592 0 40 FHAB O=C(c1cccc(CSc2nnc3ccccn23)c1)N1CCCCC1 54913262 VOEQQDJVWCAMMZ-UHFFFAOYSA-N 352.463 3.648 0 40 FHAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2N2CCCC2=O)c1C 12552610 LDKHVIBBQHYEFO-UHFFFAOYSA-N 372.490 3.848 0 40 FHAB Cc1cc(C)c(Nc2nnc(SCC(=O)NC3CC3)s2)c(Cl)c1 12569030 YGIMUNHOFNLOFN-UHFFFAOYSA-N 368.915 3.923 0 40 FHAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)c(C(N)=O)c2)cc1 55178676 SZOMAKUDVUJSQO-SNVBAGLBSA-N 364.854 3.567 0 40 FHAB C[C@H](Sc1nc2cc(F)c(F)cc2[nH]1)C(=O)NCCc1ccccc1 12576052 XOSLZGDKUMUYQS-NSHDSACASA-N 361.417 3.681 0 40 FHAB CC[C@@H](C(=O)N1CCC(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1)c1ccccc1 106175211 ROBVEPOQXGUZDO-YRLHULLVSA-N 368.521 3.724 0 40 FHAB O=C(NC[C@@H](O)c1ccc(Cl)cc1)c1ccccc1Br 24831448 PKTHGLMLVQRRPB-CQSZACIVSA-N 354.631 3.566 0 40 FHAB Cc1c(C(=O)N2CCc3ccccc32)cnn1-c1ccc(C(F)(F)F)cn1 12517012 GDITZZFALWRJSL-UHFFFAOYSA-N 372.350 3.797 0 40 FHAB CCCN(C[C@H]1CCCCO1)C(=O)c1cc(C)nc2c1cnn2C(C)C 106695148 JYUDAOCUOWLRPK-MRXNPFEDSA-N 358.486 3.742 0 40 FHAB COc1ccc(Br)cc1C(=O)Nc1ccc2oc(=O)ccc2c1 1424561 NRNBDDVNWBKZKU-UHFFFAOYSA-N 374.190 3.816 0 40 FHAB CC(C)(C)C(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 3263434 RLEJUBDSAQVJQJ-GFCCVEGCSA-N 365.524 3.893 0 40 FHAB COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2cccc3ncccc23)cc1 3288823 IOUZOOKBSXDOAC-FOWTUZBSSA-N 357.369 3.567 0 40 FHAB Cc1cc(=O)oc2cc(NCC(=O)N3CCCc4cccc(F)c43)ccc12 57650870 CQGWBJNELIEXLB-UHFFFAOYSA-N 366.392 3.632 0 40 FHAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc2c(Cl)cc(Cl)cn12 12602369 SJVXLELOPUESBD-AOOOYVTPSA-N 373.309 3.918 0 40 FHAB CC(C)c1nnc(SCc2noc(-c3ccccc3O)n2)n1C1CC1 58202781 XGOKXTPPDFJSSR-UHFFFAOYSA-N 357.439 3.784 0 40 FHAB Cc1c(C(=O)N2CCC(OCc3ccccc3)CC2)[nH]c2c1C(=O)CCC2 58370355 QBWSRBIDHIGVHT-UHFFFAOYSA-N 366.461 3.664 0 40 FHAB COc1ccc(C(=O)NC[C@@H](C)c2nc3ccccc3n2C(F)F)cc1 10639004 YZEMNSLFODYDCT-GFCCVEGCSA-N 359.376 3.974 0 40 FHAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCN(Cc2ccncc2)CC1 28623584 UNMKDIKYZHMYKR-UHFFFAOYSA-N 371.484 3.636 0 40 FHAB c1ccc(-n2c(SCc3ccccn3)nnc2N2CCCCC2)cc1 11117153 PJYRVTQIYKWIKI-UHFFFAOYSA-N 351.479 3.945 0 40 FHAB Cn1cccc1[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1Cl 12747320 ATFBNELGYMQVHN-AWEZNQCLSA-N 359.278 3.858 0 40 FHAB CCCOc1ccc([C@@H](C)NC(=O)[C@H]2COc3ccccc3C2)cc1OC 48355539 FPHAEALYYUQRBR-CRAIPNDOSA-N 369.461 3.913 0 40 FHAB C=C1c2ccccc2C(=O)N1CC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 12887945 WIXFOYUOIHDDGO-UHFFFAOYSA-N 374.362 3.791 0 40 FHAB CCN(CC(=O)NC(C)(C)C)C(=O)CSc1ccc2ccccc2c1 12888576 KVLMCTPBYQAEGC-UHFFFAOYSA-N 358.507 3.695 0 40 FHAB CC(=O)c1ccccc1NC(=O)COC(=O)c1cccc(Cl)c1Cl 3500524 OQXBVOIJMWOLBR-UHFFFAOYSA-N 366.200 3.992 0 40 FHAB O=C(COC(=O)c1ccc(Br)cc1)Nc1ccc(F)c(F)c1 3508746 GQLAEQRRXRQXEU-UHFFFAOYSA-N 370.149 3.523 0 40 FHAB O=C(CCCNC(=O)c1cccs1)NCC12CC3CC(CC(C3)C1)C2 19625654 SKKOYICLDHMCAV-UHFFFAOYSA-N 360.523 3.591 0 40 FHAB O=c1[nH]c(CSc2nccn2-c2cccc(F)c2)nc2ccsc12 5174769 UFVNANDQRAQMGW-UHFFFAOYSA-N 358.423 3.602 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2cc(C)ccc2C)C1 4385151 QZQYJJIVGSMFGO-AWEZNQCLSA-N 372.852 3.957 0 40 FHAB CC(C)(C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)c1ccc2c(c1)OCCO2 69889131 ZXWPWMVCRPGYPZ-DLBZAZTESA-N 355.409 3.547 0 40 FHAB Cc1occc1C(=O)OCC(=O)Nc1ccccc1C(=O)c1ccccc1 5397613 CQYNCNUZYBXDJD-UHFFFAOYSA-N 363.369 3.615 0 40 FHAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccn1)N(c1ccccn1)C3=O 5325038 NBTCVPMNKGRHDX-IBGZPJMESA-N 369.380 3.641 0 40 FHAB COc1ccc(CC(=O)O[C@H](C)C(=O)c2c[nH]c3ccccc23)cc1OC 6424277 FDDKYWSWDOCBKD-CYBMUJFWSA-N 367.401 3.542 0 40 FHAB O=C(NCc1nnc2n1CCC2)c1sc2cc(Cl)ccc2c1Cl 14160244 HIPLQMGQPKMLLC-UHFFFAOYSA-N 367.261 3.676 0 40 FHAB Cc1ccc(C(=O)COC(=O)c2cccc(NC(=O)C(C)C)c2)cc1C 4593265 CRSYYJQSNQSEAS-UHFFFAOYSA-N 353.418 3.938 0 40 FHAB O=C(COCC(=O)Nc1cccc(Cl)c1Cl)Nc1ccccc1 4699528 FNRMMVHYIFABSP-UHFFFAOYSA-N 353.205 3.587 0 40 FHAB Cc1ccc(CN2C[C@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 14494658 NBXAKSBTYALFRW-MRXNPFEDSA-N 356.853 3.944 0 40 FHAB O=C(COc1ccc(Cl)cc1)Nc1nc(CN2CCCCC2)cs1 14524711 DTUWPJCZDFZRNK-UHFFFAOYSA-N 365.886 3.800 0 40 FHAB CCc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CN(C)CC4)cc1 6737140 JNEOHFUUKNATRV-UHFFFAOYSA-N 366.490 3.681 0 40 FHAB O=c1c2ccccc2nc(/C=C/c2ccccc2O)n1-c1ccccc1O 4832169 FSEMOFCVZWNEPO-BUHFOSPRSA-N 356.381 3.967 0 40 FHAB Cc1ccc(S(=O)(=O)/C=C/CSc2nnc(-c3cccnc3)o2)cc1 4834798 VMIUGEGRNYFOIT-QDEBKDIKSA-N 373.459 3.520 0 40 FHAB Cc1ccc(-n2c(C)nnc2S[C@@H](C)C(=O)NC2CCCCC2)cc1 6912544 DCCLPOJONLRCNL-AWEZNQCLSA-N 358.511 3.814 0 40 FHAB COc1cc(NC(=O)c2ccc(-n3cccc3)cc2)cc(OC)c1OC 15511189 MRWWRDDSCGLFRC-UHFFFAOYSA-N 352.390 3.755 0 40 FHAB O=C(Nc1ccc(F)cc1)[C@H](Sc1cccc[n+]1[O-])c1ccccc1 7507319 ZQGMIRSXSKAOBX-GOSISDBHSA-N 354.406 3.931 0 40 FHAB COc1ccc(Cl)cc1NC(=O)c1cc(S(C)(=O)=O)ccc1Cl 7655599 YVRWXUGBPBGUAV-UHFFFAOYSA-N 374.245 3.658 0 40 FHAB COc1cccc(N2CCN(c3nc4cc(C)nn4c4ccccc34)CC2)c1 7779338 WNBAFKCAOGUUCP-UHFFFAOYSA-N 373.460 3.526 0 40 FHAB CCOC(=O)c1c(C)[nH]c(-c2nc(NC[C@@H]3CCCO3)sc2C)c1C 7785870 YBDAQMNXJWOCJN-ZDUSSCGKSA-N 363.483 3.831 0 40 FHAB C[C@@H](Sc1nnnn1C(C)(C)C)C(=O)Nc1cccc2ccccc12 16290709 RUNPSQDMPOHKDH-GFCCVEGCSA-N 355.467 3.701 0 40 FHAB C[C@H](NC(=O)[C@@H](C)Sc1nnc(C2CC2)n1C1CC1)c1ccc(F)cc1 7904306 QVYVQIYHCNTHOD-NWDGAFQWSA-N 374.485 3.988 0 40 FHAB CC[C@@H](C)[C@H](C(=O)NCc1cccc(F)c1)N1Cc2ccccc2C1=O 71335665 SXSJTFUUNYQOKI-AUUYWEPGSA-N 354.425 3.513 0 40 FHAB CCOCCCNC(=O)c1ccccc1NC(=O)c1ccccc1Cl 9667416 UGAIDOZIKKSLGZ-UHFFFAOYSA-N 360.841 3.749 0 40 FHAB O=C(OC[C@@H]1CO[C@H](c2ccc(Cl)cc2)O1)c1cccnc1Cl 95448040 OZKDOJINVUWBPS-WBMJQRKESA-N 354.189 3.659 0 40 FHAB Cc1cc(CSc2ccccc2C(=O)Nc2cccc(C(N)=O)c2)no1 9908684 IFICAEAGUJEFDF-UHFFFAOYSA-N 367.430 3.627 0 40 FHAB CC(C)Oc1ccccc1CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O 89890926 QDAGSIOLGDBSBR-HXUWFJFHSA-N 370.474 3.819 0 40 FHAB C[C@H](C(=O)Nc1ccccc1Br)n1cc(Br)cn1 28223931 FJRPHDGTQXBUKZ-MRVPVSSYSA-N 373.048 3.608 0 40 FHAB CCc1ccccc1O[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 38755391 DIXRAVGPOAPYAU-MRXNPFEDSA-N 356.441 3.504 0 40 FHAB CCSCn1nnc(-c2cccs2)c1C(=O)NCc1ccc(C)cc1 32611801 PYDKOHHFMNTBPK-UHFFFAOYSA-N 372.519 3.956 0 40 FHAB CCOC(=O)N1N=C2CC[C@H](C(C)(C)CC)C[C@H]2[C@]1(O)C(F)(F)F 409342629 GVWXPHVSTHJFDU-RWSFTLGLSA-N 350.381 3.918 0 40 FHAB O=S(=O)(Nc1cc(-c2ccc3ncccc3c2)on1)c1ccsc1 508226004 WHHZLGCEGVYQEM-UHFFFAOYSA-N 357.416 3.752 0 40 FHAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(N2CCCC2=O)cc1 38753957 GKGMXPJPXQQAID-IBGZPJMESA-N 352.434 3.918 0 40 FHAB Cc1cc(C(=O)N2N=C3CCCC[C@@H]3[C@@]2(O)C(F)(F)F)ccc1Cl 409182108 IVQNOFIOPJGOIC-XHDPSFHLSA-N 360.763 3.901 0 40 FHAB O=C([C@H]1Cc2ccc(F)cc21)N1CCOc2c1cccc2C(F)(F)F 1537969291 OYWYVSQSQYBGKO-ZDUSSCGKSA-N 351.299 3.910 0 40 FHAB CSc1nc(Cl)cc(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 72203191 LRDDQHYBDQRMNM-JTQLQIEISA-N 358.895 3.663 0 40 FHAB Cc1noc(C)c1-c1nc(NCc2ccncc2)ncc1-c1ccncc1 72342861 OKNDNJCSFMDWKT-UHFFFAOYSA-N 358.405 3.818 0 40 FHAB CCOc1cc(C(=O)N2CCN(c3ccccc3)CC2)cc2occc12 72240146 WQOUCNYRGGWEPX-UHFFFAOYSA-N 350.418 3.794 0 40 FHAB CCOc1ccccc1[C@@H](CC)NC(=O)CN1CCC[C@@H]1c1ccc[nH]1 77171229 QABROQISDHCDGN-IEBWSBKVSA-N 355.482 3.818 0 40 FHAB COC(=O)[C@@H](CC(C)C)N[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 36107736 PMGRWZMIVIGETJ-UXHICEINSA-N 366.461 3.519 0 40 FHAB COc1cccc(O[C@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)c1 219305247 YGBFXARKITWDGE-QGZVFWFLSA-N 371.477 3.999 0 40 FHAB COc1ccc(-c2ccc(=O)n([C@H]3CCc4ccccc4N=C3O)n2)cc1 40266373 CJGOKCZWLAPJOA-IBGZPJMESA-N 361.401 3.694 0 40 FHAB CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(OC)c(F)c1 225111472 BHYRQXBBSCIPIQ-UHFFFAOYSA-N 351.443 3.975 0 40 FHAB COc1c(C)cccc1C(=O)Nc1c(C)cc2nc(NN)sc2c1C 45889934 TVJVGXMVLXVUII-UHFFFAOYSA-N 356.451 3.768 0 40 FHAB O=C1COc2cc(C(=O)N(Cc3cccc(F)c3)C3CCCC3)ccc2N1 524685904 FMEXNIOUMPERIX-UHFFFAOYSA-N 368.408 3.742 0 40 FHAB COC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc2ccccc2c1 225042136 IGLCUWXOBQFTPO-UHFFFAOYSA-N 369.442 3.517 0 40 FHAB C[C@H](NC(=O)CCC(=O)Nc1nccs1)C12CC3CC(CC(C3)C1)C2 44871028 OIIRESRPUQTMHV-UHSVVUDUSA-N 361.511 3.583 0 40 FHAB CCC1(CC)C[C@@H](NS(=O)(=O)c2c(C)noc2C)c2ccccc2O1 224716783 CQCXNSURJQMVGM-OAHLLOKOSA-N 364.467 3.652 0 40 FHAB Cc1nc2ccccn2c1-c1nnc2sc(-c3cc4ccccc4[nH]3)nn12 227143872 AYCQUJMFNHDDKN-UHFFFAOYSA-N 371.429 3.957 0 40 FHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)[nH]1 223485516 XGJPWSZRGINUKW-OALUTQOASA-N 363.490 3.594 0 40 FHAB CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccc(F)cc2)cc1Cl 44902124 HNYPHCASDKFCQB-UHFFFAOYSA-N 371.817 3.598 0 40 FHAB CN(C)c1cccc(C(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)c1 40108887 AOEHIWJCLUCKFU-UHFFFAOYSA-N 373.456 3.935 0 40 FHAB CC(C)CSc1nnc(NS(=O)(=O)c2ccc(Cl)cc2)s1 224954838 VRELPALNNNYBDO-UHFFFAOYSA-N 363.917 3.740 0 40 FHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 223002828 UHMVEGNSEIJGSR-RTBURBONSA-N 370.522 3.617 0 40 FHAB NC(=O)COc1ccc2occ(-c3ccc(Br)s3)c2c1 96231665 WVPKUSAYXCBDMM-UHFFFAOYSA-N 352.209 3.788 0 40 FHAB COc1ccc(CCC(=O)NCCCN2c3ccccc3C[C@H]2C)cc1C 260770405 SJKUWOARQOFOKY-GOSISDBHSA-N 366.505 3.894 0 40 FHAB CN(C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)c1ccc(F)cc1 65513970 ZZLUXAIRFMGPSB-MRXNPFEDSA-N 362.404 3.995 0 40 FHAB CC1(C)C[C@@]2(CCCN2C(=O)c2cncc(O)c2)CN1c1cccc(F)c1 1615128834 WEPBMKQFGFOUAJ-NRFANRHFSA-N 369.440 3.590 0 40 FHAB COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccc(F)cc2)s1 11213029 YVAKHKFHHYPNCJ-HNNXBMFYSA-N 362.451 3.520 0 40 FHAB Cc1ccccc1[C@@H](NC(=O)c1cc(-c2ccccn2)n[nH]1)c1ccncc1 12147293 ZQIQNONHNIOKFK-NRFANRHFSA-N 369.428 3.695 0 40 FHAB CC(C)c1ncc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)cn1 12220539 CDVOXBFGNDDVPJ-PMSBKCLSSA-N 355.457 3.754 0 40 FHAB CCCCc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)cc1 13583284 NXCBCBGUZSADAB-UHFFFAOYSA-N 374.506 3.840 0 40 FHAB CCOc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1OCC 14233757 WRCPUJBCNPCVLW-UHFFFAOYSA-N 369.870 3.616 0 40 FHAB COc1cc(OC)c(/C=C2/C(=O)Nc3ccccc32)cc1Br 15011382 LEFCXLFRLCCIBN-KPKJPENVSA-N 360.207 3.959 0 40 FHAB Cc1cccc(CC(=O)N2CCc3onc(Nc4cccc(F)c4)c3C2)c1 19234785 KHRHPRXMKKVKCH-UHFFFAOYSA-N 365.408 3.993 0 40 FHAB COc1ccc([C@H]2CCCCN(C(=O)c3noc4c3CCCC4)C2)cc1 206885215 CNYCGNIOSFZYLB-INIZCTEOSA-N 354.450 3.972 0 40 FHAB CN(C(=O)CC1CCCC1)C1CCC2(CC1)CNCc1ccccc1O2 19586708 MXWIPVCYZWQDTD-UHFFFAOYSA-N 356.510 3.889 0 40 FHAB COc1ccccc1N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 3451499 USSBCIYRHZGYFR-UHFFFAOYSA-N 364.367 3.676 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)CSC1=Nc2ccccc2[C@H]2CC=NN12 5959053 XXBSQJVWOVZCRW-FRFSOERESA-N 356.495 3.848 0 40 FHAB O=C(Nc1cccc(CN2CCCC2=O)c1)c1cc(F)c(F)cc1Cl 30480844 DYNJGHFNMFBZQD-UHFFFAOYSA-N 364.779 3.993 0 40 FHAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(N2CCCC2)ncn1 238842152 HWSRGDUOWGCUDY-UHFFFAOYSA-N 374.444 3.908 0 40 FHAB CNC(=O)c1c(NC(=O)c2ccc(OC(C)C)cc2)sc2c1CCC2 5055739 ULKUFUJOTCUWTI-UHFFFAOYSA-N 358.463 3.636 0 40 FHAB COc1ccc(CCC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 5439970 ICLOQYQMIVBOBV-UHFFFAOYSA-N 352.434 3.702 0 40 FHAB Cc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccccc4C)no3)n2)cc1C 16845664 NXZSHIRSYZEUSY-UHFFFAOYSA-N 372.428 3.934 0 40 FHAB COc1nn(C)cc1C(=O)Nc1nc2c(s1)-c1cccc3cccc-2c13 36646312 RTSSKCXOTCKXIF-UHFFFAOYSA-N 362.414 3.938 0 40 FHAB CCOc1cc(/C=C2\SC(=O)NC2=O)ccc1OCc1ccccc1 17043960 MRFDRKDSYGMQTL-BOPFTXTBSA-N 355.415 3.988 0 40 FHAB Cc1cc(C(=O)Nc2nc(C)c(-c3nccn3C)s2)c2ccccc2n1 23358825 VWYYOOCVGXFBKV-UHFFFAOYSA-N 363.446 3.961 0 40 FHAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN1C(=O)c1cccs1 10489829 RUTHDRAWDZPAKO-ZDUSSCGKSA-N 352.818 3.784 0 40 FHAB C[C@@H](N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)NC1CCCCC1 40071803 GXMWIDMFQXOGOL-HUUCEWRRSA-N 357.498 3.523 0 40 FHAB O=C(Nc1cccc(OCC(=O)N2CCCC2)c1)c1cccc(Cl)c1 40090605 OROUPMRCTKHATC-UHFFFAOYSA-N 358.825 3.594 0 40 FHAB O=C(N[C@H]1CCC[C@H](OCC(F)(F)F)C1)c1ccc2ccccc2n1 40080966 ZMBCXXYXCHCUOO-KBPBESRZSA-N 352.356 3.855 0 40 FHAB CCOC(=O)[C@@]1(Cc2ccc(Cl)c(Cl)c2)C(=O)Nc2ccccc21 20031764 DXUZFKIDNASICH-GOSISDBHSA-N 364.228 3.989 0 40 FHAB Cc1cccn2cc(COc3ccc(C(=O)Nc4ccccn4)cc3)nc12 11701205 PWLCBYNOOIYWPU-UHFFFAOYSA-N 358.401 3.869 0 40 FHAB CC(=O)Oc1ccccc1OC(C)(C)c1nn(C(C)=O)c2ccccc12 1087622 HGODUKGVJLDYAK-UHFFFAOYSA-N 352.390 3.936 0 40 FHAB COc1ccc(CCC(=O)OCC(=O)c2c(C)[nH]c3ccccc23)cc1 2642457 BWFABCCPVINKOY-UHFFFAOYSA-N 351.402 3.844 0 40 FHAB COC(=O)c1ccc(C(=O)OCc2nc3cc4ccccc4cc3[nH]2)cc1 3100198 ODPPQMUSQMAUCQ-UHFFFAOYSA-N 360.369 3.860 0 40 FHAB CCc1ccc(C(=O)CSc2nnc(NC[C@@H]3CCCO3)s2)s1 32824196 DWXIMKGCXOGWHB-JTQLQIEISA-N 369.537 3.728 0 40 FHAB CC(=O)C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21 4988054 UIWHIILRAQCLTC-GOSISDBHSA-N 364.228 3.707 0 40 FHAB COc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccccc3C)no2)cc1OC 4998403 UUHWYZRYHGOACM-ZDUSSCGKSA-N 367.405 3.553 0 40 FHAB O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1cccc(F)c1 6422950 ZDIGLRLFDYDSEX-UHFFFAOYSA-N 357.410 3.524 0 40 FHAB CCCN1C(=O)c2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1ccc(O)cc1 6747867 BBDUALBPGCORRG-IBGZPJMESA-N 351.381 3.877 0 40 FHAB Cc1ccc(OCCOc2cccc(/C=C3/SC(=N)NC3=O)c2)c(C)c1 6796706 YKXQUOKQFLHQLQ-LDADJPATSA-N 368.458 3.900 0 40 FHAB CCOc1ccc(NC(=O)COCc2cc(-c3cccs3)on2)cc1 6876565 SGYCTMVBQADPDV-UHFFFAOYSA-N 358.419 3.957 0 40 FHAB CCOc1ccccc1N1C[C@@H](C(=O)Oc2cc(C)cc(C)c2)CC1=O 7929372 SWQIXBYHAAPQBZ-INIZCTEOSA-N 353.418 3.661 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1CC 20042789 KIORNLIKXICCGC-HNNXBMFYSA-N 354.450 3.795 0 40 FHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C)ccc2C)ccc1C 9883299 MFKODKRMDBYLER-UHFFFAOYSA-N 374.506 3.895 0 40 FHAB CCN(CC)CCn1c(NCc2cccc(OC)c2)nc2ccccc21 809662 HDPUULRCBGLLAI-UHFFFAOYSA-N 352.482 3.999 0 40 FHAB CCn1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c2ccccc21 1006096 BENRNZANXOJWRN-CXUHLZMHSA-N 372.446 3.649 0 40 FHAB CC(C)Oc1ccc(C(=O)N2CCN(c3c(N)cccc3Cl)CC2)cc1 57331956 XVGIBLXJJLZKSU-UHFFFAOYSA-N 373.884 3.672 0 40 FHAB C[C@H](OC(=O)c1nc(Cl)ccc1Cl)C(=O)N[C@H]1CCCC[C@@H]1C 105305516 FKHDQJUUJLDAQN-NHCYSSNCSA-N 359.253 3.629 0 40 FHAB CC(=O)c1cc2c(cc1NC(=O)[C@H](C)Oc1cccc(Cl)c1)OCO2 23995778 HTRYQHRDLRSUGS-NSHDSACASA-N 361.781 3.677 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)NCCCOC3CCCCC3)cc2)n1 24293390 UBKRSCVITPQTMI-UHFFFAOYSA-N 355.482 3.958 0 40 FHAB C[C@@H](NC(=O)c1cc2c(nc3sccn32)s1)c1ccc2c(c1)OCO2 54910074 OHPIOFMNCKKUBL-SECBINFHSA-N 371.443 3.830 0 40 FHAB COc1ccc([C@H]2CC(=O)c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3C2)cc1 101489372 KAHKGHXPSOIBAQ-YQQAZPJKSA-N 365.477 3.880 0 40 FHAB COc1ccccc1C(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 24559973 ZSUIBPBBJWGRQX-IBGZPJMESA-N 361.445 3.747 0 40 FHAB NC(=O)COc1ccc(C2N(c3ccccc3)CCN2c2ccccc2)cc1 59474663 ZZBMNRJZYCXGRF-UHFFFAOYSA-N 373.456 3.576 0 40 FHAB C[C@H](OCC(F)(F)F)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 55742796 GEBKNBSEKWMRTM-ZDUSSCGKSA-N 372.387 3.609 0 40 FHAB CC(C)(C)n1nc(C(=O)Nc2ccc(-c3noc(O)n3)cc2)cc1C1CC1 69950348 ONTFQHNEAQYYSK-UHFFFAOYSA-N 367.409 3.523 0 40 FHAB O=C(Nc1ccncc1)N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 57034766 HNXQRNHWCOPBLJ-IBGZPJMESA-N 373.416 3.769 0 40 FHAB O=C(NCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 119910928 AEMWUJRYRRENLS-UHFFFAOYSA-N 374.721 3.753 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)CNc1ccc(C(F)(F)F)cc1 12542519 SIDMWIKUQZJDTR-UHFFFAOYSA-N 366.339 3.933 0 40 FHAB C[C@@H](NC(=O)CN1C(=O)CSc2ccccc21)c1ccccc1Cl 57707189 FZIKRPZOIMTHRD-GFCCVEGCSA-N 360.866 3.656 0 40 FHAB Cc1ccc(C)c(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c1 113967962 IGJMTUBJQKTYQT-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB CC(=O)N(C)Cc1cccc(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)c1 44504968 BNRLLWUSYAYHOW-UHFFFAOYSA-N 370.497 3.992 0 40 FHAB O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1ccc(F)cc1F 3246668 LFBITVXZYVHPBG-UHFFFAOYSA-N 372.371 3.951 0 40 FHAB O=C(Nc1cccc(Nc2ncnc3c2cnn3-c2ccccc2)c1)C1CC1 44724925 CZPPBLBLHZTTNR-UHFFFAOYSA-N 370.416 3.908 0 40 FHAB CCN(CC)C(=O)C1CCN(C(=O)Nc2cccc3ccccc23)CC1 58197607 LGENQLHKVQIURU-UHFFFAOYSA-N 353.466 3.952 0 40 FHAB COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)cc1OC 12680067 ONQAMGDTLXSIBF-LLVKDONJSA-N 367.804 3.580 0 40 FHAB Cc1c(C)n(C)c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc12 27979553 RUCLXCPFBPXXOI-UHFFFAOYSA-N 365.452 3.897 0 40 FHAB O=C(NCCCN1CCCCCC1=O)Nc1ccc(-c2nccs2)cc1 76036103 YGWJWSGMLWYIID-UHFFFAOYSA-N 372.494 3.724 0 40 FHAB COCCn1ccc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 58440290 OMHDDDROJHPMOO-UHFFFAOYSA-N 364.854 3.742 0 40 FHAB O=C(c1cc(=O)c2ccccc2o1)N1CCn2cccc2[C@@H]1c1ccccc1 45248719 WXWXJLOFQDZVCM-QFIPXVFZSA-N 370.408 3.840 0 40 FHAB COc1cc(CNC(=O)N2CCC[C@H]2c2nc3ccccc3s2)ccn1 45494619 QLZCBADBECBRME-HNNXBMFYSA-N 368.462 3.747 0 40 FHAB COc1ccc(Cl)cc1C(=O)OCC(=O)N[C@@H]1CCCc2ccccc21 3393933 RKWZBCHKPXVBPS-QGZVFWFLSA-N 373.836 3.699 0 40 FHAB Cc1ccc(C)c(OCCN2C(=O)N[C@]3(CCCc4sccc43)C2=O)c1 3324575 LDQUJINDAKUVGU-FQEVSTJZSA-N 370.474 3.527 0 40 FHAB CC(C)CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12 3318895 ZPOWNYZMYUKKKJ-UHFFFAOYSA-N 350.447 3.782 0 40 FHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)c1ccccc1Cl 12736961 PTQSFQMSYAEXIQ-KBPBESRZSA-N 360.841 3.832 0 40 FHAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccc(Cl)cc1 12774377 BGENEKDKVLDWCQ-UHFFFAOYSA-N 355.825 3.695 0 40 FHAB O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@H]2CC=CCC2)CC1 48331520 CRDYXNSFDYCFRG-ZDUSSCGKSA-N 367.276 3.634 0 40 FHAB Cc1cccc(CN2C[C@H]3[C@@H](C2)N(Cc2ccccc2)C(=O)c2cccn23)c1 306126959 FJZVLXOGDOPUTC-XZOQPEGZSA-N 371.484 3.878 0 40 FHAB Cc1ccc(-c2nnc(SCCOc3ccccc3Cl)n2N)cc1 3542280 NVJBMPFWNSECQT-UHFFFAOYSA-N 360.870 3.792 0 40 FHAB C[C@H](Oc1ccccc1F)c1nnc(S[C@@H](C(N)=O)c2ccccc2)o1 12949532 XOZINTIMACFSQJ-XHDPSFHLSA-N 373.409 3.667 0 40 FHAB CCOc1ccc(C(=O)NCc2cc3c(cc2OCC)C[C@@H](C)O3)cc1 12979903 CINKHXUNPOAFMX-CQSZACIVSA-N 355.434 3.737 0 40 FHAB Cc1csc2nc(CSc3ccc4c(c3)OCCCO4)cc(=O)n12 9503768 OZCVDEJBOOJAGS-UHFFFAOYSA-N 360.460 3.518 0 40 FHAB Cc1oc(-c2cccs2)nc1C(=O)Nc1ccccc1C(=O)N(C)C 49679142 ONTKRCDYRWLUCB-UHFFFAOYSA-N 355.419 3.666 0 40 FHAB CCOc1ccc(-c2cc(C(=O)Nc3cc(C)on3)no2)cc1OCC 13687815 ZSUPSIVMPVOSCL-UHFFFAOYSA-N 357.366 3.688 0 40 FHAB CCN(CC(=O)NC(C)(C)C)C(=O)C1c2ccccc2Oc2ccccc21 6277947 QGBWGBSGSGDQSP-UHFFFAOYSA-N 366.461 3.687 0 40 FHAB CCc1ccc(C2=Nn3c(Cc4ccccc4F)nnc3SC2)cc1 6225220 XAILXPZUIUVOIH-UHFFFAOYSA-N 352.438 3.929 0 40 FHAB O=C(CCc1nc2ccccc2s1)N[C@@H]1CCN(Cc2ccccc2)C1 14085470 RYCAPUIZQNMDFN-QGZVFWFLSA-N 365.502 3.620 0 40 FHAB Cn1c(SCc2ncc(-c3ccc(F)cc3)o2)nnc1-c1ccncc1 14068910 QIEFROQILCQWBB-UHFFFAOYSA-N 367.409 3.964 0 40 FHAB CCc1nc2ccccc2c(C(=O)NC[C@@H]2COc3ccccc3O2)c1C 8942667 AITYRGSHCFNVAU-OAHLLOKOSA-N 362.429 3.675 0 40 FHAB CC(C)C(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(Cl)cc2)c1 4593266 NQJRMIVDXWOVQN-UHFFFAOYSA-N 359.809 3.974 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccn2)N1Cc1ccco1 5516182 GBMVHFIXZONTTJ-GOSISDBHSA-N 358.353 3.526 0 40 FHAB C[C@H]1CCc2c(sc3nc([C@@H](C)OC(=O)c4ccco4)[nH]c(=O)c23)C1 5666140 ONTJXQQTDFXBRW-VHSXEESVSA-N 358.419 3.620 0 40 FHAB CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCCC[C@@H]2C)cc1 9515353 DFIHHGCEQIRKLL-AWEZNQCLSA-N 374.510 3.797 0 40 FHAB CCSc1ncc(Cl)c(C(=O)Nc2nnc(CC(C)C)s2)n1 6810486 KMBRKIRSWSURIO-UHFFFAOYSA-N 357.892 3.544 0 40 FHAB COc1ccc2c(C)c(CCC(=O)Nc3ccc(Cl)cn3)c(=O)oc2c1 9184019 NUBJPEDIOZCNSC-UHFFFAOYSA-N 372.808 3.730 0 40 FHAB COC(=O)[C@H](C)Sc1nnc(Cc2cccs2)n1-c1ccccc1 6993070 KEQSAWVFNYMEHL-LBPRGKRZSA-N 359.476 3.573 0 40 FHAB O=C(Nc1ccc(Cl)cc1F)[C@H]1CCCN1C(=O)c1cccs1 9156332 ZJDFTSBARUSHIO-CYBMUJFWSA-N 352.818 3.784 0 40 FHAB COc1ccc(Br)c(C(=O)Nc2nc3c(s2)CCC3)c1 9113165 DFRUGSBZKZTANQ-UHFFFAOYSA-N 353.241 3.655 0 40 FHAB O=C(O)[C@@H]1CS[C@H](c2ccc(Sc3cccc4cccnc34)o2)N1 408988785 FXLXZKMBDYEFOR-MEDUHNTESA-N 358.444 3.767 0 40 FHAB CC[C@H](Sc1n[nH]c2nc3ccccc3n12)C(=O)Nc1ccccc1 9319484 RBJDGXBPSKCNJW-HNNXBMFYSA-N 351.435 3.720 0 40 FHAB O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)OCCO2 8185385 BJHUFZWSAPKHJE-UHFFFAOYSA-N 352.312 3.527 0 40 FHAB Cc1c(C)n(-c2nccs2)c2ncn3nc(-c4ccc(F)cc4)nc3c12 9304003 OJSDTRCPFVWIBV-UHFFFAOYSA-N 364.409 3.948 0 40 FHAB C[C@@H](OC(=O)c1cccs1)C(=O)Nc1ccc(OC(F)(F)F)cc1 8496255 JZTIFHKYQIJOPK-SECBINFHSA-N 359.325 3.831 0 40 FHAB Cc1cc(C)c2c(c1)CCCN2S(=O)(=O)c1cnc(Cl)c(C)c1 97143795 PGCQONQJWSQEFE-UHFFFAOYSA-N 350.871 3.802 0 40 FHAB Cc1c(C)c2ccc(OCC(=O)Nc3cccc4[nH]ccc34)cc2oc1=O 72326032 IPTCDVXEOWKYIW-UHFFFAOYSA-N 362.385 3.909 0 40 FHAB biogenic CNC(=O)c1ccc(/C=C/C(=O)N2CCCCC[C@@H]2c2cccn2C)cc1 74054541 JXDYCIVTLYFFMP-RDPWEWGOSA-N 365.477 3.542 0 40 FHAB Cn1c(SCc2cccs2)nnc(Nc2cccc(Cl)c2)c1=O 28536721 JWZIZJDVDKFBNQ-UHFFFAOYSA-N 364.883 3.926 0 40 FHAB CN(Cc1ccc(Br)cc1)C[C@H](O)COCc1cccs1 68047596 IDVJPODBTNEHMR-HNNXBMFYSA-N 370.312 3.520 0 40 FHAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)CCCOc1ccccc1 408714193 KXBBZHHQPQIOMS-UHFFFAOYSA-N 351.406 3.554 0 40 FHAB O=C(NC[C@H]1CCN(c2ccccc2)C1)c1ccc(Br)s1 27821841 YZOHZBCTPBIBND-GFCCVEGCSA-N 365.296 3.767 0 40 FHAB COc1cc(Br)c(OC)c(C(=O)Nc2nc(C)c(C)s2)c1 22471244 OMVDMSHNDZLDAK-UHFFFAOYSA-N 371.256 3.792 0 40 FHAB CCN1CCN(c2ncnc3c(-c4ccc(Cl)cc4)nsc23)CC1 35292374 SPHUQMDWFWOOED-UHFFFAOYSA-N 359.886 3.549 0 40 FHAB COc1c(C)ccc(NS(=O)(=O)c2ccc(Br)cc2)c1C 31722712 PYOQTQXFWPGZTC-UHFFFAOYSA-N 370.268 3.875 0 40 FHAB COc1cc2c(cc1OC)[C@H](NC(=O)c1ccc3ccn(C)c3c1)CC2 524733923 DMNTXRFUSNMPRD-QGZVFWFLSA-N 350.418 3.613 0 40 FHAB Cc1noc(COCc2onc(C)c2Br)c1Br 217745198 NPBPRBCHXRCZFV-UHFFFAOYSA-N 366.009 3.521 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC(C)C)c2)cc1 30850087 LJQDNTXKRQXOKQ-UHFFFAOYSA-N 366.870 3.587 0 40 FHAB O=C(c1cnc2n1CCCC2)N1CCCC[C@H]1c1nc2ccccc2o1 558717974 DBUASDAPXAMSMT-HNNXBMFYSA-N 350.422 3.728 0 40 FHAB Cc1ccccc1NC(=O)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1 75165256 NGQFYSUSZVOOEK-NSHDSACASA-N 354.332 3.808 0 40 FHAB O=C(NC1CCCC1)c1cc([C@@H]2CCCCN2Cc2ccccc2)n[nH]1 72380493 LARPRCYYKBBJQR-FQEVSTJZSA-N 352.482 3.809 0 40 FHAB CCN(C(=O)CS(=O)(=O)Cc1cc(C)ccc1C)c1ccccc1C 32929619 RNDGHBDGFGWQQB-UHFFFAOYSA-N 359.491 3.580 0 40 FHAB CCOC(=O)c1ccc(NC(=S)N[C@H](C)COc2ccccc2)c(C)c1 225783610 DXLUOSVMCLSVKU-OAHLLOKOSA-N 372.490 3.926 0 40 FHAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1CCC(C)CC1 223111765 SORTWPFPXXKRPC-JOCHJYFZSA-N 372.553 3.961 0 40 FHAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)NCc2ccc(Cl)cc2)c1 40103306 OSXYTRLYDICKLU-UHFFFAOYSA-N 373.261 3.719 0 40 FHAB CCc1c(NCc2nncn2-c2ccccc2)cnn1-c1ccccc1C 569305817 ZZAKFHKQDAIEHS-UHFFFAOYSA-N 358.449 3.936 0 40 FHAB C[C@@H](CNC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccccc1 224551186 PLWLAAUILPGLOJ-KRWDZBQOSA-N 354.469 3.958 0 40 FHAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c(Cl)c1 44844152 YANOVHZMDJPJMP-XBXARRHUSA-N 373.792 3.897 0 40 FHAB CC(=O)N(CCC(C)C)c1nc(C)c(C(=O)Nc2nc(C)cs2)s1 40286844 SVHQTWSDPWUFPT-UHFFFAOYSA-N 366.512 3.868 0 40 FHAB C[C@@H]1CN(c2ccccc2F)CCN1C(=O)c1c(Cl)cncc1Cl 585085746 MIOAHBGMSMRLLO-LLVKDONJSA-N 368.239 3.878 0 40 FHAB Cc1cccc2nc(CN(Cc3ccc(F)cc3)C3CCOCC3)cn12 585082903 MVTRJISARWKJJO-UHFFFAOYSA-N 353.441 3.963 0 40 FHAB CCOCC[C@H]1CCOC12CCN(C(=O)c1ccc(F)c(Cl)c1)CC2 253387212 ZOPMCRAKMVTXCV-HNNXBMFYSA-N 369.864 3.917 0 40 FHAB NCc1cccc(-c2cccnc2C(=O)NCCc2cccc(Cl)c2)c1 257229915 FZZGXLNDXVSBES-UHFFFAOYSA-N 365.864 3.833 0 40 FHAB CC(C)C(=O)N1CCC(C(=O)N2CCCCc3cc(Cl)ccc32)CC1 622960362 LUHDQCQDZGDFII-UHFFFAOYSA-N 362.901 3.904 0 40 FHAB CCN(c1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3)cc1)C(C)C 623282662 RPHWGQBUTPVIGI-HNNXBMFYSA-N 365.477 3.907 0 40 FHAB Cn1nccc1-c1ccc(CNC(=O)c2cnc(C(C)(C)C)s2)cc1 685939818 IJBOJOQUCXZOOS-UHFFFAOYSA-N 354.479 3.771 0 40 FHAB CCc1cccc2c(CC(=O)N[C@@H](c3ccccc3)c3n[nH]c(C)n3)c[nH]c12 109271221 XWVIEVFSPGSIQH-NRFANRHFSA-N 373.460 3.605 0 40 FHAB CO[C@](C)(CNS(=O)(=O)c1cc(C)c(C)cc1C)c1ccccc1F 96123580 RDJUZQQQEGJACD-LJQANCHMSA-N 365.470 3.591 0 40 FHAB CC(=O)N1CCC[C@H](NCc2cccc(F)c2)[C@@H]1Cc1ccc(F)cc1 585269381 RECVNZMZBCOMAM-SFTDATJTSA-N 358.432 3.677 0 40 FHAB Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)NCc1ccoc1 47727529 BFGMHQUCJFZKEA-UHFFFAOYSA-N 355.438 3.972 0 40 FHAB O=C(CN1CCO[C@H]2CCCC[C@@H]21)Nc1ccc(OC(F)F)c(Cl)c1 51994191 QNRRULINPPGIQI-ZFWWWQNUSA-N 374.815 3.523 0 40 FHAB O=C(c1csc(-c2ccccc2)n1)N1CC[C@@H](Oc2nccs2)C1 585320639 MEBQDAJPXCBQPR-CYBMUJFWSA-N 357.460 3.560 0 40 FHAB CCOC(=O)COc1cc2c(cc1[C@@H](C)c1ccc(OCC)cc1)OCO2 5962340 JLVIYUCEYNPVLT-AWEZNQCLSA-N 372.417 3.908 0 40 FHAB CCOc1cc(CN2CCC[C@@H](n3c(=O)oc4ccccc43)C2)ccc1O 12119183 WOUZYTWYUFCPQW-MRXNPFEDSA-N 368.433 3.536 0 40 FHAB O=S(=O)(NCC[C@H]1C=CCCC1)c1ccc(Br)s1 12375011 PYOZOBQEMGREQK-JTQLQIEISA-N 350.303 3.535 0 40 FHAB O=C(Cc1cn2ccsc2n1)Nc1ccc(OC(F)F)c(Cl)c1 12600155 IHCNVYAHJWWWFN-UHFFFAOYSA-N 357.769 3.832 0 40 FHAB O=S(=O)(Cc1ccc(Br)cc1)N1CCCc2ccccc21 13669146 RMAGAHWCIPRPPN-UHFFFAOYSA-N 366.280 3.732 0 40 FHAB Cc1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(C(C)C)no2)cc1 15676020 ZWDBFKRLRJHVPZ-INIZCTEOSA-N 366.425 3.556 0 40 FHAB biogenic,in-vitro Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc2c(C)ccc(C)c2n1C 19714610 JEKPXIIGKQFZKP-AWEZNQCLSA-N 352.482 3.506 0 40 FHAB CC[C@@H](O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1[S@]2=O 504009039 VGGVFHIGFNOLIM-IQGLISFBSA-N 358.507 3.700 0 40 FHAB in-vitro C[C@H]1CCCC[C@H]1NC(=O)COC(=O)Cc1ccc(Cl)cc1Cl 3312165 MYYJWJZQVGYYBG-XHDPSFHLSA-N 358.265 3.774 0 40 FHAB CC(=O)Nc1ccc(OCCOc2ccc(Br)cc2)cc1 5347055 OJRQUDTUAXRFGG-UHFFFAOYSA-N 350.212 3.865 0 40 FHAB Cc1cccc(OC[C@@H]2CCCN(c3cc(C(F)(F)F)nc(C)n3)C2)n1 1888853046 WVUGZBZBQCMLKS-CQSZACIVSA-N 366.387 3.803 0 40 FHAB C[C@H](Nc1ccccc1Cc1ccccc1)C(=O)N1C[C@@H](C)O[C@H](C)C1 16045390 OHGQORPIIGSVOO-KURKYZTESA-N 352.478 3.714 0 40 FHAB COc1ccc(CC(=O)N2CCN=C2SCc2cc(C)ccc2C)cc1 4120331 SRYFXPHLCGPFHN-UHFFFAOYSA-N 368.502 3.986 0 40 FHAB O=C(CSc1nnc2ccc(-c3cccs3)nn12)c1ccc(F)cc1 4376910 ILSAAJTWQWJEBF-UHFFFAOYSA-N 370.434 3.967 0 40 FHAB O=C(OCc1cc(-c2ccccc2F)on1)c1cc(=O)c2ccccc2o1 16838665 GDEONZLRXBXICY-UHFFFAOYSA-N 365.316 3.944 0 40 FHAB CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc21 17247980 TZUKXGZBYOTKFE-UHFFFAOYSA-N 372.490 3.793 0 40 FHAB Cc1nccc(N2CCC(COc3cc(-c4ccccc4)ncn3)CC2)n1 1775970189 GEBZDFBGWJUXBH-UHFFFAOYSA-N 361.449 3.537 0 40 FHAB CC(=O)N1N=C(C2CC2)C[C@H]1c1cc2cc3c(cc2nc1Cl)OCCO3 23118783 QGABEIRYJUMNSF-INIZCTEOSA-N 371.824 3.719 0 40 FHAB Nc1cc2ccccc2nc1C1CCN(C(=O)CCc2cccnc2)CC1 12087865 IGANTHDISXJAMN-UHFFFAOYSA-N 360.461 3.551 0 40 FHAB C[C@H](CNC(=O)c1ccc(N(C)C)cc1)OC12CC3CC(CC(C3)C1)C2 12401799 XKRHHNLTSWRYOC-NOCBQHASSA-N 356.510 3.856 0 40 FHAB O=C(CCNC(=O)c1cccs1)Nc1cccnc1Oc1ccccc1 40090374 POYAZFRAOYSDGN-UHFFFAOYSA-N 367.430 3.694 0 40 FHAB O=C(Cc1ccccc1)Oc1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 100623833 JYVHMHILUWCKBD-OALUTQOASA-N 363.413 3.514 0 40 FHAB Cc1ccc(NC(=O)CCn2c(S)nc3cc(Cl)ccc3c2=O)cc1 101496029 KLRBYDJXJANFMP-UHFFFAOYSA-N 373.865 3.676 0 40 FHAB CCCCn1c(O)cc2nn(-c3nc4ccccc4s3)c(=O)c-2c1C 101514362 DWBFONGEDXTWFN-UHFFFAOYSA-N 354.435 3.563 0 40 FHAB Cc1nc(-c2ccc(CC(=O)NCc3nc4ccccc4[nH]3)cc2)cs1 46319886 QAJSCZRQTRQQGK-UHFFFAOYSA-N 362.458 3.854 0 40 FHAB O=S1(=O)CC[C@H](NCc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1 11915354 DTXJGXKOFBPJKV-NSHDSACASA-N 360.262 3.530 0 40 FHAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccncc3)C(=O)[C@H]12 840480 ZAVGHHQBUCUPQN-ZRDDSIGQSA-N 366.420 3.652 0 40 FHAB Cc1ccc(OCc2nnc(SCC(=O)c3ccccc3)n2C)cc1 894327 DVVNWJFQJHAABQ-UHFFFAOYSA-N 353.447 3.678 0 40 FHAB COc1cccc(NC(=O)Nc2cccn(Cc3ccc(C)cc3)c2=O)c1 1354097 OTXUDMCUJYQEEE-UHFFFAOYSA-N 363.417 3.858 0 40 FHAB CCCn1c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nnc1-c1cccnc1 1362298 XQLBDRUWIHQRJK-GJZGRUSLSA-N 373.526 3.632 0 40 FHAB COc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccc(Cl)cc2)cc1 1379472 QTKUAGMMWLTPSM-KRWDZBQOSA-N 373.840 3.984 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 32915942 UJKWBKIHYUNKHK-UHFFFAOYSA-N 367.232 3.956 0 40 FHAB O=C(Nc1ccncc1)c1ccn(COc2cccc(C(F)(F)F)c2)n1 2796239 WSKNLEMIXREIEH-UHFFFAOYSA-N 362.311 3.586 0 40 FHAB C[C@@H]1CCc2c(sc3nc(Cc4nc5ccccc5n4C)[nH]c(=O)c23)C1 6550579 OLSUWNVDSMECSD-LLVKDONJSA-N 364.474 3.587 0 40 FHAB O=C(Nc1c(F)cccc1F)N[C@@H]1CCCc2cn(CC(F)(F)F)nc21 96002724 WICRQTCJSNZRNL-GFCCVEGCSA-N 374.313 3.923 0 40 FHAB Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCN(c3ccccc3F)CC2)c1 7382058 COUQKTALQWXSHB-KRWDZBQOSA-N 356.441 3.559 0 40 FHAB CN(C)CCCN(Cc1cccs1)C(=S)N[C@H]1C[C@H]2CC[C@H]1C2 103136783 BYCSHSDYSQBKOA-ZOBUZTSGSA-N 351.585 3.565 0 40 FHAB Cc1nc(C(=O)N(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)nn1-c1ccc(F)cc1 53194566 MGNDXDCZKABYLM-YVEFUNNKSA-N 368.412 3.703 0 40 FHAB CC(C)CCCCCCNC(=O)Cc1csc(NC(=O)C2CC2)n1 23057370 YBZNMJMGLBOYMR-UHFFFAOYSA-N 351.516 3.757 0 40 FHAB O=C(Nc1ccccc1-c1cccs1)N1CCN(CC(F)F)CC1 61748685 TZAMBERFMOKCEU-UHFFFAOYSA-N 351.422 3.830 0 40 FHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1C 24280387 TUVMJTXVEXYMDG-MRXNPFEDSA-N 373.493 3.703 0 40 FHAB CSc1ccc(N2C[C@@H](C(=O)N3c4ccccc4C[C@H]3C)CC2=O)cc1 24228094 NFCRTQMHQOQDOI-ZBFHGGJFSA-N 366.486 3.739 0 40 FHAB Cc1cccc(-n2nnnc2SCC(=O)c2ccc3c(c2)CCCC3)c1 21366255 PORIYMDTESAFSQ-UHFFFAOYSA-N 364.474 3.825 0 40 FHAB CCOC(=O)/C=C/c1ccc(NC(=O)N(C)Cc2ccc(O)cc2)cc1 58023368 WNTLKTKLMRNVDZ-MDWZMJQESA-N 354.406 3.632 0 40 FHAB COc1cc(NC(=O)c2cnn(-c3cccc(C)c3)c2C)cc(OC)c1 24864103 LFSMSPBMZHAWTE-UHFFFAOYSA-N 351.406 3.759 0 40 FHAB CC(=O)Nc1cccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)c1 12598865 RMVIPALQFGGLQU-UHFFFAOYSA-N 365.477 3.538 0 40 FHAB C[C@H](N[C@H](C)C(=O)N1CCCC1)c1cccc(NC(=O)c2ccccc2)c1 56153316 MJZSZDOPEMSOLN-DLBZAZTESA-N 365.477 3.600 0 40 FHAB CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCc2ccccc21 29096420 FOJILTVKMQZBRK-GOSISDBHSA-N 358.482 3.779 0 40 FHAB Cc1cc(C)cc(NC(=S)N2[C@H]3CCC[C@H]2CC(NC(=O)C2CC2)C3)c1 100427123 BWWUHWVSXOSMHN-OALUTQOASA-N 371.550 3.912 0 40 FHAB Cc1ccc(NC(=O)C2CCN(Cc3nc4ccccc4s3)CC2)nc1 58171329 CIFKZRXCZMUMPD-UHFFFAOYSA-N 366.490 3.850 0 40 FHAB Cc1cc(C)n(CCCNC(=O)c2ccc(COc3ccccc3C)o2)n1 28239418 BCTQROBRGFOXJN-UHFFFAOYSA-N 367.449 3.800 0 40 FHAB CCOc1ncccc1C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1 3219467 ORYJPDBHZCVHDW-UHFFFAOYSA-N 369.204 3.583 0 40 FHAB O=C(Nc1ccc2oc(=O)ccc2c1)[C@H]1CC(c2ccc(Cl)s2)=NO1 58423738 TYYJEMWKEFXDFG-CYBMUJFWSA-N 374.805 3.640 0 40 FHAB O=S(=O)(N[C@@H]1CCSc2c(F)cccc21)c1cc(F)cc(F)c1 10518205 AENNVCNFWBWGKC-CQSZACIVSA-N 359.394 3.619 0 40 FHAB CC[C@@H]1CCCCN1C(=O)c1cc2c(=O)n3cccc(C)c3nc2s1 2498387 YDLGTOAARMODFP-CYBMUJFWSA-N 355.463 3.622 0 40 FHAB Cc1nn(C)c2sc(C(=O)NCc3cccc(C(F)(F)F)c3)cc12 11403295 HKVYKDUDJPOKGV-UHFFFAOYSA-N 353.369 3.892 0 40 FHAB CCN(CC)C(=S)SCC(=O)Nc1nc2c(s1)C[C@H](C)CC2 2591071 QTEUFGORQRHFRI-SNVBAGLBSA-N 357.570 3.566 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc(NC(C)C)s2)c1 3383166 UYGBHRLVQRRBBK-LLVKDONJSA-N 364.496 3.680 0 40 FHAB CCCNS(=O)(=O)c1cccc(C(=O)Nc2cccc3c2CCCC3)c1 12751321 KWWNUVCXXMZNIW-UHFFFAOYSA-N 372.490 3.506 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)CCN(C)Cc2ccc([C@H]3C[C@H]3C)o2)c1 12743123 YTCPXGLSOWDHBT-AEFFLSMTSA-N 361.507 3.926 0 40 FHAB Cc1noc(C)c1CC(=O)NCc1ccc(CN2C[C@H](C)C[C@@H](C)C2)cc1 48311114 LAXRRWSRNZJTBO-HZPDHXFCSA-N 369.509 3.628 0 40 FHAB CCOC(=O)Cc1csc(SCC(=O)Nc2cccc(Cl)c2)n1 3431445 HHERYDLVXRBRLB-UHFFFAOYSA-N 370.883 3.633 0 40 FHAB O=c1oc2c3c(ccc2c2c1CCC2)OCN(Cc1ccccc1F)C3 20403841 YQGMCEKAAFFAGZ-UHFFFAOYSA-N 351.377 3.773 0 40 FHAB CS(=O)(=O)c1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1 3615317 HSJHNFCIVCZYQE-UHFFFAOYSA-N 365.454 3.610 0 40 FHAB O=c1c(Cl)cc(C(F)(F)F)cn1Cc1nnc(Cc2ccccc2)o1 64308057 ARQWSAPXBXDNPF-UHFFFAOYSA-N 369.730 3.543 0 40 FHAB O=C(CSc1nnc(-c2cccnc2)o1)c1ccc(OC(F)F)cc1 4279694 CBRMFXJGZCXTDZ-UHFFFAOYSA-N 363.345 3.708 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cc3cc(Cl)ccc3oc2=O)c1 4393794 VEQWHIYOSXTBLA-UHFFFAOYSA-N 359.765 3.716 0 40 FHAB O=C(OCC(=O)c1ccco1)c1cccc(NC(=O)c2cccs2)c1 14198672 HFQSJJMULQFMBW-UHFFFAOYSA-N 355.371 3.633 0 40 FHAB Cc1nc(SCC(=O)N(C2=CCCCC2)C2CC2)c(C(N)=O)c(C)c1C 14250725 OQEIRQXEIWFIEY-UHFFFAOYSA-N 373.522 3.647 0 40 FHAB O=C(/C=C/c1ccc(Cl)cc1)N1CCC[C@@H]1c1nnc2ccccn12 14246636 FMWGOWYVWCPKEG-YCABEKBOSA-N 352.825 3.760 0 40 FHAB CCc1cccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c1 5465285 GZFFGAIHLDXMNI-UHFFFAOYSA-N 366.442 3.550 0 40 FHAB CCOc1ccc(CN2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1 4690500 KFUCMQWURAOVLL-UHFFFAOYSA-N 366.505 3.956 0 40 FHAB CC(=O)NCCCCCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 5613284 KRWKWXGGETZWDE-UHFFFAOYSA-N 367.445 3.776 0 40 FHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)COc1cccc(F)c1 5753672 BAOOLCCZNHIKRA-ZTFGCOKTSA-N 366.429 3.752 0 40 FHAB COc1ccc([C@H]2N=C(O)c3c(sc4c3CCN(C)C4)N2)cc1Cl 6857619 ONKBBPXIAQBKCC-HNNXBMFYSA-N 363.870 3.827 0 40 FHAB CCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1OC 8964415 YHYFYYUWHYCBCZ-UHFFFAOYSA-N 350.418 3.589 0 40 FHAB CCc1c(C(=O)Nc2cccc(COC)c2)nnn1-c1cccc(Cl)c1 67136202 MWIPWACZFUAXHT-UHFFFAOYSA-N 370.840 3.882 0 40 FHAB CCOc1cc(C(=O)CCC(=O)NCc2cccc(Cl)c2)ccc1O 5980221 KLBKTLMQHRDQAV-UHFFFAOYSA-N 361.825 3.724 0 40 FHAB Cc1nc(-c2ccc(S(=O)(=O)N3CCc4ccc(F)cc43)cc2)co1 78770594 SJCOHEUZMIVXLL-UHFFFAOYSA-N 358.394 3.541 0 40 FHAB CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)nc1 16084524 UZHYRHWNSHCPJV-UHFFFAOYSA-N 365.669 3.863 0 40 FHAB NC(=O)c1ccc(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1 16180700 LUEGAJHOWYWCTM-UHFFFAOYSA-N 364.376 3.647 0 40 FHAB COc1ccccc1COC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(C)C 7988902 NEBKICIKSTXQNG-IBGZPJMESA-N 355.434 3.501 0 40 FHAB Cc1cc(C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)c(C)n1C(C)C 16695826 YHVYPBFGZXJTGX-LJQANCHMSA-N 354.450 3.863 0 40 FHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cn(C)c2ccccc12 8146592 DRFFSUXJULPVGS-HNNXBMFYSA-N 359.433 3.592 0 40 FHAB C[C@@H](NC(=O)COc1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1 16962937 ULKQNZQBPZGWDK-CQSZACIVSA-N 372.852 3.723 0 40 FHAB Cc1ccc(SCC(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 8349656 OLLOIRHXQSLCHN-MRXNPFEDSA-N 366.490 3.887 0 40 FHAB CC(C)c1nc([C@H]2CCCCCN2C(=O)CSc2ccncc2)no1 96001250 CBIFXTFPZOVVLT-OAHLLOKOSA-N 360.483 3.824 0 40 FHAB COc1cc(Cl)ccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 72331361 URZXYVZPRGYWID-UHFFFAOYSA-N 365.260 3.964 0 40 FHAB CC(C)Cn1ccc2c(NC(=O)c3nn(C)c(=O)c4ccccc34)cccc21 72404189 NXOZOOYRVUSAKT-UHFFFAOYSA-N 374.444 3.797 0 40 FHAB CNc1nc(NC2CCCCC2)nc(OC(C(F)(F)F)C(F)(F)F)n1 9678939 QTJNWSIHUVPNLU-UHFFFAOYSA-N 373.301 3.530 0 40 FHAB CCOc1ccc(C2=N/C(=C/c3ccccc3OC)C(=O)O2)cc1OCC 96635042 HPLYMGLKFNVCKA-FOWTUZBSSA-N 367.401 3.837 0 40 FHAB Cn1ccnc1C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2F)cc1 95347421 YXCOMHZZHYXUPC-SJORKVTESA-N 363.392 3.532 0 40 FHAB O=C(O)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccco1)c1ccc(Cl)c(F)c1 95464062 HHLYIOPEBALTDZ-GYSYKLTISA-N 351.761 3.508 0 40 FHAB C[C@H](C(=O)N1CCCc2ccccc21)N1CCC(Cc2cccnc2)CC1 95458266 ZKIAZZXFYPZNPQ-GOSISDBHSA-N 363.505 3.704 0 40 FHAB CCc1nc([C@H](C)NC(=O)Nc2ccncc2Br)cs1 95454812 DSFRUIKUTDYCHE-QMMMGPOBSA-N 355.261 3.746 0 40 FHAB COc1ccccc1CC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 98212243 VQZZKXXWBDVMLR-QGZVFWFLSA-N 363.417 3.651 0 40 FHAB Cc1cc(OCC(=O)N[C@@H]2CCO[C@@H]2C2CC2)c(C(C)C)cc1Cl 89570345 QGWXLRLJMXKNFI-VQIMIIECSA-N 351.874 3.834 0 40 FHAB CCC(CC)CN(CC)C(=O)c1cc(-c2ccc(O)cc2)c(C)[nH]c1=O 75104870 JHUYBNSFKGLUQB-UHFFFAOYSA-N 356.466 3.954 0 40 FHAB Clc1cc(Cl)c2c(c1)C=C(CNCCCOC[C@@H]1CCCO1)CO2 89762093 ILHYXNNSPRACLS-INIZCTEOSA-N 372.292 3.945 0 40 FHAB COc1ccc(Cc2nnc3n2N=C(c2ccc(C)cc2)CS3)cc1 22764626 VWMBMEVYLZZRFE-UHFFFAOYSA-N 350.447 3.544 0 40 FHAB O=C(O)c1ccc(NC(=S)NC(=O)C2(c3ccccc3)CCCC2)cc1 20153549 MVJQGVSWEDGIID-UHFFFAOYSA-N 368.458 3.710 0 40 FHAB CC(=O)c1c(C)cc(C)c(COC(=O)c2ccc(S(C)(=O)=O)cc2)c1C 24969025 GRKSXDCDLMDAGU-UHFFFAOYSA-N 374.458 3.575 0 40 FHAB COC(=O)c1ccc(-c2ccc(CN[C@@H](C)[C@@H](O)c3ccccc3)o2)cc1 22076843 SWLUUPYQFONYSZ-YCRPNKLZSA-N 365.429 3.945 0 40 FHAB O=C(NC1CCCCCCC1)[C@H]1CCCN(c2ccc(Cl)nn2)C1 79475604 BUDWIWDOMNJARJ-AWEZNQCLSA-N 350.894 3.576 0 40 FHAB Cc1nc(C)c(CC(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)s1 72390487 YJFICZALYRDSQV-UHFFFAOYSA-N 354.479 3.585 0 40 FHAB CCc1ccc([C@H](CNC(=O)c2ccc(C)c(C)c2)N2CCOCC2)cc1 36097982 POXKJKASDSNFNU-QFIPXVFZSA-N 366.505 3.669 0 40 FHAB CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccc(Cn3cncn3)cc2)cc1 32909601 WMYHWGDSVUYZGF-JLHYYAGUSA-N 374.488 3.954 0 40 FHAB CCc1ccccc1O[C@@H](C)C(=O)NCCCc1ccc(OC)c(OC)c1 219294533 DABTVPKSEVKGEM-INIZCTEOSA-N 371.477 3.783 0 40 FHAB COc1ccc(Cl)cc1NC(=O)NC[C@@H]1COC2(CCCCC2)O1 38936680 CMROOLSOMKZLHI-CYBMUJFWSA-N 354.834 3.546 0 40 FHAB CC(C)CN1CCC[C@H]([C@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 72330470 ZRRGUCMWVIAMDN-REWPJTCUSA-N 365.521 3.850 0 40 FHAB CN(C)c1ncc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cn1 224261467 SLKQZTKWPQPVFH-UHFFFAOYSA-N 359.739 3.859 0 40 FHAB CN(c1ccc(C(=O)Nc2ccc(Cl)cc2)c(Cl)c1)S(C)(=O)=O 222508269 DABOXSRPLPKLRZ-UHFFFAOYSA-N 373.261 3.642 0 40 FHAB O=C(c1cc(F)cc(F)c1)c1ccccc1CN1CCC2(CC1)OCCO2 85651615 YSHBSKOBLZEQTO-UHFFFAOYSA-N 373.399 3.535 0 40 FHAB O=C(c1ccc(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1)N1CCCCC1 225324705 WUAKLUBTVUUSBL-QGPMSJSTSA-N 357.523 3.788 0 40 FHAB O=C1NCCN(C(=O)c2cccc(-c3ccccc3)c2)[C@@H]1Cc1ccccc1 20861408 BSVFZEZQWODSSS-JOCHJYFZSA-N 370.452 3.537 0 40 FHAB Cc1nc(CN2CCC3(CC2)C[C@@H](N(C)Cc2ccccc2)CO3)cs1 96220979 RVBKKEJLMGBPLE-HXUWFJFHSA-N 371.550 3.707 0 40 FHAB Cc1cccc(COC[C@@H]2C[C@H]3OCCN(Cc4cccs4)[C@@H]3C2)n1 96250694 RWFYWQODYLASQT-PWIZWCRZSA-N 358.507 3.648 0 40 FHAB O=C(O)c1ccc(=O)n(C[C@@H](c2ccc(Cl)cc2)N2CCCCCC2)c1 257305634 SQVPAQICHPAASG-SFHVURJKSA-N 374.868 3.817 0 40 FHAB O=C(O)C[C@H](c1ccccc1)C1CCN(C(=O)c2ccc(Cl)cn2)CC1 621544003 MAXJELXCPNGGAN-QGZVFWFLSA-N 372.852 3.846 0 40 FHAB CN(C)c1ccc([C@@H](O)CNC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 90612013 VZCTZMLGOLXFIK-IBGZPJMESA-N 355.482 3.905 0 40 FHAB O=C(N[C@H]1COc2c(Cl)cccc21)c1cccc(Oc2cnccn2)c1 675115998 WKEMCNOVQUUOLN-INIZCTEOSA-N 367.792 3.786 0 40 FHAB O=C(COc1ccccc1F)NC[C@@H](O)c1ccc(-c2cccs2)cc1 1775976709 DMXNRTXBQAOSHR-QGZVFWFLSA-N 371.433 3.783 0 40 FHAB O[C@@H]1[C@@H](NCc2ccc(F)cc2F)CCC[C@H]1Oc1ccc(F)cc1 585289350 QDULKBGPBBGSLW-IPMKNSEASA-N 351.368 3.555 0 40 FHAB c1cncc(OCC[C@@H]2CCOC23CCN(Cc2ccsc2)CC3)c1 585105493 XWLNXCMUXLROPT-GOSISDBHSA-N 358.507 3.983 0 40 FHAB C[S@@](=O)c1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCC2)cc1 48655362 OVZFPHRBLUEJJJ-DEOSSOPVSA-N 362.882 3.930 0 40 FHAB O=C1CO[C@]2(CCCN(Cc3ccsc3)CC2)CN1c1cccc(F)c1 1615125405 ZPQMOOQOSJMKGM-FQEVSTJZSA-N 374.481 3.675 0 40 FHAB CN1Cc2ccccc2NC2(CCN(Cc3cccs3)CC2)CC1=O 1615529843 PFUYVKNQFAPAPJ-UHFFFAOYSA-N 355.507 3.557 0 40 FHAB CCn1cc(CCCNS(=O)(=O)c2ccc(OC)cc2)c2ccccc21 5274220 YYTAVJNXXBXZJE-UHFFFAOYSA-N 372.490 3.581 0 40 FHAB COC(=O)c1ccccc1[C@@H]1CN=N[C@@]12Cc1ccc3c(c1C2=O)CCC3 5539830 BOTBPMPLRZLKRF-AVRDEDQJSA-N 360.413 3.689 0 40 FHAB Cc1cccc(C(=O)OCC(=O)N2CC[C@H](C)Sc3ccccc32)c1O 5986605 FILAVXAIWCSKMN-AWEZNQCLSA-N 371.458 3.775 0 40 FHAB CCC[C@@H](NC(=O)c1sc2ncn(C)c(=O)c2c1C)c1cccs1 12200191 GAZVQCSGDHAGCC-LLVKDONJSA-N 361.492 3.636 0 40 FHAB O=C(CCc1ccccc1)N[C@@H]1CCCc2nc(N3CCCCC3)ncc21 12255000 ZKGDTADXLZGXSL-LJQANCHMSA-N 364.493 3.593 0 40 FHAB COc1cc(C)c(CN2CCC(O)(c3ccccc3OC)CC2)cc1OC 12344458 JSXVKAHOIQUNNY-UHFFFAOYSA-N 371.477 3.504 0 40 FHAB COc1ccc(NC(=O)COc2cc3ccccc3cc2C(=O)O)cc1 13080344 PUTURQLGLZFBAD-UHFFFAOYSA-N 351.358 3.564 0 40 FHAB Cc1ccc(-c2nc(N3CCNCC3)c3c4c(sc3n2)CCCC4)cc1 13998069 LLTHKDXKZPFSGL-UHFFFAOYSA-N 364.518 3.955 0 40 FHAB Cc1ccc(-n2nnnc2SCC(=O)c2ccc(C)c(C)c2)c(C)c1 16622080 KRTOMQYUQWZKIG-UHFFFAOYSA-N 352.463 3.871 0 40 FHAB N[C@@H](CCCCCC[C@@H](N)C(=O)c1ccccc1)C(=O)c1ccccc1 17174914 JNYOLDUBIHISNF-BGYRXZFFSA-N 352.478 3.747 0 40 FHAB Cc1cc(-c2cnc(C)nc2[C@H]2CCCN2C(=O)c2ccccc2F)on1 19122510 SOIVYQJYOVPPRL-QGZVFWFLSA-N 366.396 3.865 0 40 FHAB Oc1cc(Cn2cccn2)nc2cc(-c3ccc(Cl)cc3Cl)nn12 19406177 HMCHKMPJEHUXOY-UHFFFAOYSA-N 360.204 3.654 0 40 FHAB C[C@@H](CCC(=O)N1CCC[C@H](COc2ccc(F)cc2)C1)N1CCCC1 19455568 PKNNMMVNPNQCHV-ROUUACIJSA-N 362.489 3.708 0 40 FHAB CCC[C@H](C(=O)N1CCCC[C@@H]1CCN1CCCC1)n1nc(C)cc1C 19501791 FKNBVJVTCOHCHW-WOJBJXKFSA-N 360.546 3.708 0 40 FHAB CC(C)C(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 19694537 ROONSPGLYOAYAO-MRXNPFEDSA-N 370.472 3.711 0 40 FHAB COc1cccc2cc(CN3CC[C@H]4[C@H]3CCCCCN4C(C)=O)oc12 19712152 DUTZHHQCYPYQKN-MOPGFXCFSA-N 356.466 3.807 0 40 FHAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3C)CC2)on1 100743701 UQOHPKXPRIIPFQ-VDNDLQMASA-N 368.481 3.794 0 40 FHAB Cc1sc(C(=O)O)cc1CN(C)[C@H](C)c1ccc([S@](C)=O)cc1 563892612 KIVKARIHDUXPPI-BGJPBQGDSA-N 351.493 3.685 0 40 FHAB COc1ccc(CN(C)C2CCC3(CC2)CNCc2ccccc2O3)cc1 19586425 JBUFZHXTQSHTKU-UHFFFAOYSA-N 366.505 3.991 0 40 FHAB Cc1ccc(NC(=S)NC(=O)c2cccs2)c(Br)c1 3225835 YUZYSTXQRAYNIY-UHFFFAOYSA-N 355.282 3.946 0 40 FHAB Clc1ccccc1-n1c(SC[C@H]2CCCO2)nnc1N1CCCC1 6994446 XVEUJRQVAWBOEW-CYBMUJFWSA-N 364.902 3.792 0 40 FHAB O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)CCC2 7055993 IAXIHVURALWWNY-UHFFFAOYSA-N 357.353 3.875 0 40 FHAB COc1cc2ccccc2cc1C(=O)NC[C@@H](c1cccs1)N(C)C 23243436 WCNGLYKQWKVZKW-KRWDZBQOSA-N 354.475 3.943 0 40 FHAB COc1ccc2c(c1)OCCCCOCCN(Cc1ccnn1C(C)C)C2 2037989009 RDMVCOVJJILWTQ-UHFFFAOYSA-N 373.497 3.664 0 40 FHAB CCCCNC(=O)C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1 3911981 YWZCMCOQBQCMLU-UHFFFAOYSA-N 373.522 3.782 0 40 FHAB Cc1cc(C)cc(C(=O)Oc2coc(CSc3nccn3C)cc2=O)c1 4251322 GZFPEXNHZDJBTK-UHFFFAOYSA-N 370.430 3.502 0 40 FHAB Cc1nc(C)c(CCNS(=O)(=O)c2cc(Cl)ccc2Cl)s1 4392311 ACCMXJBCUBKSQQ-UHFFFAOYSA-N 365.307 3.588 0 40 FHAB Cc1cc(C)cc(N(C(=O)c2ccccc2C)[C@@H]2C=CS(=O)(=O)C2)c1 5082553 JKUJURFIBJFSQZ-QGZVFWFLSA-N 355.459 3.569 0 40 FHAB Cc1cccc(CSc2nnc(CNC(=O)c3ccc(F)cc3)o2)c1 5107479 KBNFPBLVYGTFOG-UHFFFAOYSA-N 357.410 3.739 0 40 FHAB COc1cccc(C(=O)NCCc2csc(-c3ccc(F)cc3)n2)c1 5146266 RLNNFXVYWPWPAJ-UHFFFAOYSA-N 356.422 3.930 0 40 FHAB COCCn1cc(NC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21 5266539 YBFOCNYNPJVEIE-UHFFFAOYSA-N 353.378 3.660 0 40 FHAB O[C@@H](CNc1ncc(Br)cn1)c1ccc(-c2cccs2)o1 1775969949 TWZYTGCHFMGOJK-JTQLQIEISA-N 366.240 3.706 0 40 FHAB COC(=O)C12C[C@H]3C[C@@H](CC(NC(=O)c4nc5ccccc5s4)(C3)C1)C2 101415524 XWPHQRBHFWMQMI-CJKMCJCZSA-N 370.474 3.538 0 40 FHAB C[C@@H](C(=O)Nc1ccccc1)S(=O)(=O)Cc1ccc(Cl)cc1Cl 40060025 ANMAIZQBSVRPPN-NSHDSACASA-N 372.273 3.935 0 40 FHAB Cc1cc2occ(CC(=O)Nc3cc(Cl)ccc3C(N)=O)c2cc1C 40074591 DWGSONSEYRPCKO-UHFFFAOYSA-N 356.809 3.983 0 40 FHAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccccc1OC(C)C)CC(O)=N2 20724664 OOPXYJLGAMLTSB-OAHLLOKOSA-N 363.421 3.882 0 40 FHAB Cc1nc(-c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)cs1 18167492 XPUHWAAOQJNCOE-BETUJISGSA-N 350.509 3.785 0 40 FHAB CC(=O)c1cccc(NC(=O)CSc2nnc(C3CCCCC3)n2C)c1 906764 MSHWPDQOOJVFGG-UHFFFAOYSA-N 372.494 3.796 0 40 FHAB CCOC(=O)c1c(NC(=O)c2cc(C3CC3)on2)sc(C(C)=O)c1C 2497996 OZNAYZVUVAGOEP-UHFFFAOYSA-N 362.407 3.554 0 40 FHAB C[C@@H](C(=O)Nc1ccccc1F)[S@@](=O)CCOc1ccccc1Cl 32801056 DTNCDFQJUZBLKP-FNODVLLQSA-N 369.845 3.634 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc3ccccc3n2)c1 3513599 KDWLYMYUGRUNPF-CQSZACIVSA-N 362.385 3.621 0 40 FHAB C[C@H]1CC[C@@H]2C(=O)N(c3ccc(OC(=O)c4ccccc4)cc3)C(=O)[C@@H]2C1 4188539 XIQJOGWEMFMGQR-ZOCIIQOWSA-N 363.413 3.831 0 40 FHAB Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 102682587 YHEQVPNGNDZSSY-XAMWDVODSA-N 372.424 3.559 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2C)c(C)c1 4860475 CXOPBGOQIWPSGU-UHFFFAOYSA-N 356.451 3.731 0 40 FHAB O=C(NC[C@@H]1CCCO1)c1cc2sccc2n1Cc1ccc(F)cc1 4971370 IDKMAVQEVUHJJQ-HNNXBMFYSA-N 358.438 3.799 0 40 FHAB CCOC(=O)c1cc(OC(=O)c2ccccc2Cl)n(-c2ccccc2)n1 6721334 GRMRRQFJKBVYCU-UHFFFAOYSA-N 370.792 3.922 0 40 FHAB CCOC(=O)c1cccc(NC(=S)NCCSc2ccccc2)c1 7369013 IHAHMJHBWGEFEM-UHFFFAOYSA-N 360.504 3.942 0 40 FHAB CCOc1c(Br)cc(C(=O)OCc2cc(C)on2)cc1OC 7833306 FVPBHCZLWICCTR-UHFFFAOYSA-N 370.199 3.510 0 40 FHAB CN(C)S(=O)(=O)c1cccc(NC(=O)CCCC2CCCCC2)c1 7843130 LNDNYUXGYAKAKE-UHFFFAOYSA-N 352.500 3.626 0 40 FHAB Cc1ccc(C2=C[C@H](c3ccccc3OC(F)F)n3nnnc3N2)cc1 102800051 PWGUUJDCMZREAU-OAHLLOKOSA-N 355.348 3.639 0 40 FHAB CCOc1ccccc1OCC(=O)Nc1cc(OC)c(OC)cc1Cl 8755994 KYFJNQGYNDZCGF-UHFFFAOYSA-N 365.813 3.773 0 40 FHAB CC(C)(C)c1nc2cc(NC(=O)C[C@]3(C(=O)O)CCSC3)ccc2o1 71846840 SVCXUBOATSHLKZ-GOSISDBHSA-N 362.451 3.662 0 40 FHAB COc1cc(CCC(=O)N2C[C@H]3CC[C@H]2C3)ccc1OCC(F)(F)F 104102515 UYFUDOBUUPWOCL-KBPBESRZSA-N 357.372 3.580 0 40 FHAB COc1ccc(-c2noc(CSc3nc(N)c4ccsc4n3)n2)cc1 9835881 LIHFTDNNDOQYRH-UHFFFAOYSA-N 371.447 3.624 0 40 FHAB CCOc1cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)ccc1OC(C)=O 1020964 YDBYPAJKYAIGSV-GZTJUZNOSA-N 365.385 3.664 0 40 FHAB O=C(NCCNc1cnccn1)c1cc2sc3ccccc3c2s1 47492526 WACAYPAPLHWQIT-UHFFFAOYSA-N 354.460 3.748 0 40 FHAB Cc1ccc(-c2noc([C@H](C)OC(=O)c3ccc(N(C)C)nc3)n2)cc1F 47789409 BXQSSYSCBSQWBO-LBPRGKRZSA-N 370.384 3.563 0 40 FHAB COC(=O)Nc1cccc(NC(=O)N(C)Cc2ccc(OC)c(F)c2)c1 47711379 DWAHHSRGEKEECJ-UHFFFAOYSA-N 361.373 3.677 0 40 FHAB CCc1ccc(N/C=C(/C(=O)OC)S(=O)(=O)c2ccc(CC)cc2)cc1 100025866 XZDVCBQJKNSCES-RGEXLXHISA-N 373.474 3.712 0 40 FHAB CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3cccc(Cl)c3C)ccc21 12562454 BQUUCWFVNLOONF-ZDUSSCGKSA-N 371.868 3.997 0 40 FHAB C[C@@H](NC(=O)COc1cccc(Br)c1)[C@@H]1C[C@H]2CC[C@H]1C2 108869860 FDRDZYSCVFNPHX-DVZHBHJUSA-N 352.272 3.769 0 40 FHAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCC[C@@H]1c1ccccc1 9895800 XYDRUIUQDAXFEG-AEFFLSMTSA-N 352.459 3.853 0 40 FHAB COc1ccc(N(C)C(=O)c2ccc(OC)c(OC(F)F)c2)cc1OC 58193035 XXKFTFUXQRCYFX-UHFFFAOYSA-N 367.348 3.590 0 40 FHAB COc1ccc([C@H](CNC(=O)c2ccccc2OC)N2CCCCC2)cc1 27667631 OEYKOIXZUSLPCC-FQEVSTJZSA-N 368.477 3.661 0 40 FHAB biogenic CCc1cccc(CC)c1NC(=O)COC(=O)[C@@]1(C)CC1(Cl)Cl 3259826 SAUMRMSSNUNTFK-MRXNPFEDSA-N 358.265 3.877 0 40 FHAB Cc1ccc(Cl)cc1-n1nnc(-c2nc(-c3ccc(F)cc3)no2)c1N 10273066 ANIIJFNSVJQKIK-UHFFFAOYSA-N 370.775 3.667 0 40 FHAB O=C1O[C@@H](C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)Cc2ccccc21 27081316 DVOMNOSKKMHQJF-OAQYLSRUSA-N 355.393 3.978 0 40 FHAB COC(=O)c1sc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)nc1C 58392130 AJPVFCFLMDGMBQ-MNOVXSKESA-N 350.827 3.634 0 40 FHAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NO[C@H]3CCCCO3)c12 58432408 ADPFLZUBLHULIS-INIZCTEOSA-N 374.485 3.806 0 40 FHAB NC(=O)c1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)c1 23082874 JHZPIZTVJXJBRR-UHFFFAOYSA-N 363.442 3.650 0 40 FHAB NC(=O)COc1ccc(Br)cc1CNC1CCCCCCC1 20873129 CTBRSYBAHFKEIJ-UHFFFAOYSA-N 369.303 3.516 0 40 FHAB COc1ccc(C2=N/C(=C/c3ccncc3)C(=O)N2c2ccccc2)cc1 408839851 AYCRLNHIMYZSPF-HMMYKYKNSA-N 355.397 3.925 0 40 FHAB COc1ccc(Br)c(C2(c3ccc(F)cc3)OCCO2)c1 2392520 SIOISIWVVOWLFL-UHFFFAOYSA-N 353.187 3.845 0 40 FHAB Cc1ccc(Br)cc1NC(=O)NC1CCN(CC(C)C)CC1 45462377 HCKHIOOHMVXVAF-UHFFFAOYSA-N 368.319 3.999 0 40 FHAB Cc1cc(NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)on1 36614304 ZFQRYEDUOGDOPZ-UHFFFAOYSA-N 361.405 3.645 0 40 FHAB CCC1CCC(C(=O)N[C@@H](C(=O)NCc2cccs2)C(C)C)CC1 2497007 RKTLMFFBINBYPX-VMBOVVBDSA-N 350.528 3.722 0 40 FHAB Cc1cc2nnc(SCC(=O)N3CCc4ccccc43)n2c2ccccc12 3336629 IWAZZHISUUUGAL-UHFFFAOYSA-N 374.469 3.872 0 40 FHAB Cc1ccsc1C(=O)OCC(=O)Nc1ccc(N2CCCCC2)cc1 3313979 QCYJJFUMVLKVJH-UHFFFAOYSA-N 358.463 3.842 0 40 FHAB Cc1cccc(C)c1C(=O)c1ccc(CN2CCC3(CC2)OCCO3)cc1 2514737 XHHSVBZSEGRIBC-UHFFFAOYSA-N 365.473 3.873 0 40 FHAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccnc2)c(OC)c1 8706959 AUEJMFZPPAIPPD-FQEVSTJZSA-N 361.401 3.870 0 40 FHAB Cc1cc(C)n2nc(C(=O)Nc3ccccc3Oc3ccccc3)nc2n1 3430457 VQQQJIITYANLBM-UHFFFAOYSA-N 359.389 3.786 0 40 FHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)C2CCC2)cc1 8708794 JKFPMOKDXMEWNG-UHFFFAOYSA-N 358.463 3.640 0 40 FHAB O=C(COc1ccc(Br)cc1F)N1CCc2sccc2C1 12972739 MXVVSTSAWGIARU-UHFFFAOYSA-N 370.243 3.613 0 40 FHAB COc1ccc(CC(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c(OC)c1OC 12900616 MNIPABPDJSNTEC-BFYDXBDKSA-N 361.482 3.730 0 40 FHAB COc1ccc(CCNC(=O)CSc2nc3ccccc3s2)cc1 3602832 COBLCRGIWIWOGA-UHFFFAOYSA-N 358.488 3.756 0 40 FHAB CCn1c(C)nnc1CN(Cc1cccs1)Cc1ccccc1OC 83836895 FMZNJWUAHLGALA-UHFFFAOYSA-N 356.495 3.879 0 40 FHAB COc1ccccc1C(=O)Oc1ccc(I)cc1 8904880 AKLMRMWHTYIPSZ-UHFFFAOYSA-N 354.143 3.519 0 40 FHAB O=C(NCc1nccs1)c1c(-n2cccc2)sc2c1CCSC2 65490219 KTAUFOLBBOHRPK-UHFFFAOYSA-N 361.517 3.715 0 40 FHAB O=C(Nc1cccc2cn[nH]c12)c1cnn(Cc2ccccc2Cl)c1 25585182 KCHHWIYLYXZZJB-UHFFFAOYSA-N 351.797 3.713 0 40 FHAB CC[C@](C)(C(=O)NC1CCCC1)N(C(=O)c1cccs1)[C@@H]1CCCO1 6450070 PYMKJBXFFNQRFU-QFBILLFUSA-N 364.511 3.554 0 40 FHAB Cc1cc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c2c(C)nn(C)c2n1 14167196 HIUQVGCKCRXUDB-OAHLLOKOSA-N 370.453 3.691 0 40 FHAB CCOC(=O)c1c(NC(=O)NCc2cccnc2)sc2c1CCCC2 6671635 KCCDIACKHNXFSI-UHFFFAOYSA-N 359.451 3.520 0 40 FHAB Cc1cc(Br)c(S(=O)(=O)NCCc2ccccc2)cc1C 5610744 MFHVPVJQQAOHCE-UHFFFAOYSA-N 368.296 3.587 0 40 FHAB Cc1nc(C(=O)N(C)[C@@H]2CCCc3ccccc32)nn1-c1ccc(F)cc1 15191894 WWWSBBRFDHVRDC-LJQANCHMSA-N 364.424 3.864 0 40 FHAB CC(=O)c1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(F)c1 15140990 MKQKQDNPHCKXLX-UHFFFAOYSA-N 367.346 3.769 0 40 FHAB CC(C)(C)OC(=O)N1CC[C@H](Sc2cccc(Br)n2)C1 79440739 GDQRVZIKLKMRFO-JTQLQIEISA-N 359.289 3.946 0 40 FHAB CCN(CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1ccccc1 7437555 JUYPSYXRBPQASZ-UHFFFAOYSA-N 362.477 3.950 0 40 FHAB CN(C(=O)CN1CCCCC1)[C@]1(c2ccccc2Cl)CCCCC1=O 8263368 LLCPMJDCRSNLTA-FQEVSTJZSA-N 362.901 3.623 0 40 FHAB O=C(O)c1cc2c(c(S(=O)(=O)Nc3cccc4ccccc34)c1)CCC2 69420227 JGLUCSLXIZKHHI-UHFFFAOYSA-N 367.426 3.828 0 40 FHAB CCC(CC)[C@@H](CNC(=O)c1ccc2[nH]c(C)c(C)c2c1)N1CCOCC1 22898357 PSJQNWIPPANGOG-OAQYLSRUSA-N 371.525 3.652 0 40 FHAB CCn1c(S[C@H](C)C(=O)NCc2ccc(Cl)cc2)nc2cnccc21 89305530 FZRPUPMDJDUEFR-GFCCVEGCSA-N 374.897 3.902 0 40 FHAB COc1ccc2c(CC(=O)NCCc3nc4c(s3)CCCC4)coc2c1 89467096 NXCPFQQTLRXXOP-UHFFFAOYSA-N 370.474 3.678 0 40 FHAB CCn1c(Sc2oc(C=O)cc2Br)nnc1-c1ccco1 408556126 IRILWJKHFSNXQU-UHFFFAOYSA-N 368.212 3.877 0 40 FHAB Cc1nc(CCNc2ccc(C(=O)N3CCC(C)CC3)cn2)sc1C 301674555 PRKBPRZAGLRXFQ-UHFFFAOYSA-N 358.511 3.682 0 40 FHAB c1cncc(CN2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 306129715 IKVOQIJZPXQKLY-FQEVSTJZSA-N 370.460 3.566 0 40 FHAB Cc1csc([C@@H]2COCCN2C(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)n1 529084066 WACGYGWNBYBHPN-IKGGRYGDSA-N 360.454 3.684 0 40 FHAB O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2CN(Cc3ccoc3)C[C@@H]21 306144321 ZCEPWCZINWGQTG-LPHOPBHVSA-N 371.483 3.763 0 40 FHAB CN1CCN(C(=S)N(C(=O)c2ccc(Cl)cc2)c2ccccc2)CC1 31852190 PCOLAADUXHPBDI-UHFFFAOYSA-N 373.909 3.519 0 40 FHAB CCOc1ccc(S(=O)(=O)NCCOc2ccccc2C(C)C)cc1 78644018 JTXMNKDEWYAGSB-UHFFFAOYSA-N 363.479 3.566 0 40 FHAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccnn2Cc2ccco2)c1 32593429 UNKXAWOWJYABLH-UHFFFAOYSA-N 353.422 3.974 0 40 FHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCCN1C[C@@H](C)C[C@H](C)C1 36127195 VSDICTIBFXTJTM-FIKGOQFSSA-N 360.542 3.945 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219499123 LOFVAYOWDMGKIY-HOCLYGCPSA-N 355.434 3.881 0 40 FHAB O=C(CSCc1ccccc1F)NCc1cccc(CN2CCCC2)c1 224635564 FQLIQDWCDPFFOE-UHFFFAOYSA-N 372.509 3.971 0 40 FHAB CC(C)C(=O)N1CCC(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)CC1 40051332 FECMNZLWQJEZNB-NOCBQHASSA-N 360.542 3.602 0 40 FHAB O=C(CCc1c(Cl)cccc1Cl)NCc1ccc2c(c1)OCO2 225351564 UKNJEPTZMKHWBF-UHFFFAOYSA-N 352.217 3.971 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 223718158 LTFQTTQGMVYUHQ-MRXNPFEDSA-N 372.896 3.744 0 40 FHAB CCOc1ccc(C(=O)Nc2nn3c(-c4ccccc4)nnc3s2)cc1 41076435 ZHJMYECTWOQSRN-UHFFFAOYSA-N 365.418 3.504 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2F)c(Br)c1 40432349 LAHNOIMZWZVIRH-NSHDSACASA-N 372.259 3.936 0 40 FHAB O=c1[nH]c(CNc2ccc(F)cc2)nn1Cc1ccc(Cl)cc1Cl 40288329 QOGXCBWEPHGBHY-UHFFFAOYSA-N 367.211 3.678 0 40 FHAB c1ccc2c(Cc3nnc([C@H]4CCN(Cc5ccncc5)C4)o3)c[nH]c2c1 49169778 VBEWFOMKLQZDKY-INIZCTEOSA-N 359.433 3.526 0 40 FHAB biogenic,in-vitro CCCOc1ccc([C@H](C)NC(=O)NCCCN(C)C)cc1OCCC 42923234 JCJZHTBERHFKOE-INIZCTEOSA-N 365.518 3.576 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)c1 223491582 KWRZOYWZRXQPSJ-CVEARBPZSA-N 357.450 3.965 0 40 FHAB O=S(=O)(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(F)c(F)c1 95067929 NHTZCWLTDIZMCF-UHFFFAOYSA-N 355.259 3.924 0 40 FHAB c1ccc(COC[C@H]2CCC[C@]23CN(Cc2cccs2)CCO3)nc1 96160032 QHSRJAMPMPODCL-XLIONFOSSA-N 358.507 3.731 0 40 FHAB COc1ccc2c(c1)cc(C(=O)N1CCc3c([nH]c4ccccc34)C1)n2C 96116479 RRKOQXAYQULMHH-UHFFFAOYSA-N 359.429 3.867 0 40 FHAB biogenic O=C1C[C@]2(CC[C@H]3[C@H]2[C@@H]3C(=O)NCc2cccc(F)c2)Oc2ccccc21 247787994 ALNBJXJLAPYGHK-DEZRYOJYSA-N 365.404 3.502 0 40 FHAB CCCC[C@@H](CC)CNC(=O)[C@H](CC)N(c1ccccc1)S(C)(=O)=O 260844230 HZQDZIIRRLDEIC-AEFFLSMTSA-N 368.543 3.564 0 40 FHAB CC(C)Oc1cc(NC(=O)N2[C@H]3CC[C@H]2CC2(CC2)C3)ccc1C(N)=O 626544363 RULUYHCGVACLNB-GJZGRUSLSA-N 357.454 3.512 0 40 FHAB CSc1ccc([C@@H](CNC(=O)c2ncsc2C2CC2)N(C)C)cc1 1141366007 RBRVRMWURNFTTH-OAHLLOKOSA-N 361.536 3.775 0 40 FHAB CSc1ccc([C@@H](O)CNC(=O)Cc2c(F)cccc2Cl)cc1 96103165 UTEAILROFPIUFU-INIZCTEOSA-N 353.846 3.593 0 40 FHAB CO[C@@](C)(CNS(=O)(=O)c1cc(C)ccc1C)c1cccc(Cl)c1 96392808 ZAPPJMOYTUHYAR-SFHVURJKSA-N 367.898 3.797 0 40 FHAB CC(=O)N1CCC[C@H](NCCc2cccc(F)c2)[C@@H]1Cc1ccc(C)cc1 585286394 QLZUSRDJANNUKH-GOTSBHOMSA-N 368.496 3.888 0 40 FHAB Cc1cc(N2CCSCC2)ccc1NC(=O)CCc1c(C)noc1C 50495245 ZUDSXPMIBCHMAB-UHFFFAOYSA-N 359.495 3.724 0 40 FHAB COc1ccc2sc(N(CCN(C)C)C(=O)c3ccccc3F)nc2c1 5121525 XTEGSUYDXKJQKN-UHFFFAOYSA-N 373.453 3.652 0 40 FHAB CCOc1ccc(Cc2nnc(Nc3ccccc3Cl)[nH]c2=O)cc1 5154353 UFNCCFNIZDMESY-UHFFFAOYSA-N 356.813 3.551 0 40 FHAB CCc1ccccc1NC(=O)CSc1nnnn1-c1c(C)cccc1C 5391669 FZMGOIITQAPJGW-UHFFFAOYSA-N 367.478 3.572 0 40 FHAB C[C@H]1CN(C(=S)Nc2ccccc2)CCN1C(=S)Nc1ccccc1 5570434 KZNKXCFICQBKTP-HNNXBMFYSA-N 370.547 3.787 0 40 FHAB COc1ccc2c(CN3CCC(O)(c4ccc(C)cc4)CC3)cn(C)c2c1 12328833 KCRITBFXLYNDMA-UHFFFAOYSA-N 364.489 3.979 0 40 FHAB Cc1cc2c(cc1C)[C@H](O)CC1(CCN(C[C@@H](O)c3ccccc3)CC1)O2 12329240 DTQALJQSFYPEBS-NHCUHLMSSA-N 367.489 3.688 0 40 FHAB COc1ccc(CN2CCCC[C@H]2c2cc3nc(C)c(C)c(O)n3n2)cc1 12337782 OCSMFQOAUVRYOP-IBGZPJMESA-N 366.465 3.788 0 40 FHAB c1ccc(-c2noc([C@@H]3Cc4[nH]cnc4CN3CC3CCCCC3)n2)nc1 15675566 VRKANMOZMRJKMJ-SFHVURJKSA-N 364.453 3.534 0 40 FHAB biogenic,in-vitro CCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 16601544 YCBJKIXSETXZJQ-CYBMUJFWSA-N 364.442 3.545 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)c1cc2c(F)cccc2[nH]1)c1ccc(F)cc1 19291206 WXBGKAAWALLTJY-SFHVURJKSA-N 366.371 3.699 0 40 FHAB CCc1nn(C)c(NC(=O)CCn2c(C(F)F)cc3cccnc32)c1C 19521075 IULDNHVYJYPXLU-UHFFFAOYSA-N 361.396 3.607 0 40 FHAB Cc1cc(C)n(CCC(=O)Nc2ccc(-c3cccc(F)c3)cc2)c(=O)n1 19572522 YJEFCUCZFRQXSO-UHFFFAOYSA-N 365.408 3.695 0 40 FHAB CC(C)(C)c1nc2cc(NC(=O)c3ccc(-n4cccn4)nc3)ccc2[nH]1 19663859 DMCHHAIYRJYOIG-UHFFFAOYSA-N 360.421 3.693 0 40 FHAB CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(C)c(F)c2)cc1 7254374 FTZMEJKFTWAOQG-YRNVUSSQSA-N 357.381 3.728 0 40 FHAB COC(=O)C(=C\c1ccc(OC)cc1)/C(C(=O)O)=C(/C)c1ccccc1 5502382 ZDZQBUYPFIHYOD-HJGWPUIUSA-N 352.386 3.810 0 40 FHAB COc1cc(NC(=O)COc2ccc(Cl)cc2)cc2sc(N)nc12 226312471 AVUGVWXGQLEBLY-UHFFFAOYSA-N 363.826 3.558 0 40 FHAB COc1ccccc1CNc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1 9495679 DOTNOCLFZRZTJQ-UHFFFAOYSA-N 353.403 3.865 0 40 FHAB Cc1cc(C(=O)COC(=O)c2cccc(F)c2)c(C)n1Cc1ccco1 3542605 IHFHDGVWAVUBSE-UHFFFAOYSA-N 355.365 3.925 0 40 FHAB Cc1cc(C(=O)CCC(=O)OCC(=O)Nc2ccccc2C)c(C)s1 7778498 CCMPEWISJLXLDW-UHFFFAOYSA-N 359.447 3.818 0 40 FHAB Cc1nc(C(=O)Nc2nc(-c3ccccn3)cs2)cc(C(F)(F)F)n1 1888882224 USXQMHYBXITNTO-UHFFFAOYSA-N 365.340 3.575 0 40 FHAB CCOC(=O)Nc1cccc(OCC(=O)N2CCCc3ccccc32)c1 20863220 HIUUOIXPOCDPQQ-UHFFFAOYSA-N 354.406 3.613 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc([S@@](C)=O)cc1 21646054 QQYYKTMYKQNFIH-NRRJATNASA-N 369.442 3.642 0 40 FHAB Cc1ccc(C)c(CN2CCC3(CC2)CC(=O)NCc2ccccc2N3)c1 2037981106 VEYYXRJPKWANMI-UHFFFAOYSA-N 363.505 3.770 0 40 FHAB O=C(OC1CCCC1)N1CCC([C@H]2CCCCN2C(=O)C2CCC2)CC1 2056226106 KNDGPHRGZRPVGL-LJQANCHMSA-N 362.514 3.959 0 40 FHAB Cc1cnc(C)c(OC2CCN(c3nc(C(F)(F)F)cs3)CC2)n1 2086952837 ARVOHOZTPKBINA-UHFFFAOYSA-N 358.389 3.617 0 40 FHAB O=C(CSc1nccn1C1CCCCC1)Nc1ccc2c(c1)OCO2 15825352 SOTOHKQJNROWHQ-UHFFFAOYSA-N 359.451 3.848 0 40 FHAB COc1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccccc2)cc1Cl 20745663 TXYDTMASCONOSZ-KSSFIOAISA-N 358.825 3.507 0 40 FHAB FC(F)(F)c1cccc(-c2noc(CN3CCO[C@@H]4CCCC[C@@H]43)n2)c1 51994240 HJGPLAFDKLXFQW-LSDHHAIUSA-N 367.371 3.899 0 40 FHAB Cc1cc(Br)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C)cc1C 41095302 QQMGFLBNROHQNC-YGRLFVJLSA-N 360.317 3.923 0 40 FHAB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1C 906840 OKBSGKWRTZXLDS-AWEZNQCLSA-N 352.463 3.910 0 40 FHAB COC(=O)C1=C[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 1670562 FRSUFKJZLFSCBD-SFYZADRCSA-N 356.847 3.931 0 40 FHAB O=C(NCCc1cccs1)C1(c2ccc3c(c2)OCCO3)CCCC1 32841410 LEPVBIRBFJIGMG-UHFFFAOYSA-N 357.475 3.690 0 40 FHAB Cc1ccc(-c2csc(NC(=O)COC(=O)c3ccccc3)n2)cc1 3398357 SKUOWEBLVLKCLN-UHFFFAOYSA-N 352.415 3.914 0 40 FHAB O=C(c1ccccc1)[C@H](c1ccccc1)N(CCO)C(=O)c1ccccc1 6575548 KPLZIONRMSSKNL-NRFANRHFSA-N 359.425 3.745 0 40 FHAB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2ccc(C)s2)C1=O 6654553 KPMVZWBDMXRYBY-UVTDQMKNSA-N 366.508 3.741 0 40 FHAB COc1ccc2nc(SCc3cc(OC)c(OC)c(OC)c3)[nH]c2c1 6694045 LCBFOPGECYOBOO-UHFFFAOYSA-N 360.435 3.890 0 40 FHAB COc1cc(NC(=S)Nc2ccc3c(c2)OCO3)c(OC)cc1Cl 6951065 YXEBEYJYOVQFGN-UHFFFAOYSA-N 366.826 3.895 0 40 FHAB Cc1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Br 7307922 RVXCUZVRUVEDBC-UHFFFAOYSA-N 366.280 3.505 0 40 FHAB COc1ccc(N[C@H]2CO[C@]3(CCN(Cc4ccc(C)s4)C3)C2)cc1 107728473 XNHUGRVAURQNRN-YLJYHZDGSA-N 358.507 3.911 0 40 FHAB CCN(CC)c1ccc(NC(=O)c2nn(C)c(C)c2Br)cc1 28304237 QWIUCEXKTROSDS-UHFFFAOYSA-N 365.275 3.590 0 40 FHAB O=C1C[C@H](c2cccs2)c2c(c(C(=O)O)cn2-c2cc(F)cc(F)c2)N1 61718591 PLWWEUDIAUWKLK-GFCCVEGCSA-N 374.368 3.989 0 40 FHAB COc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 9062738 UPAOBEXWSQTBBR-MRXNPFEDSA-N 370.468 3.924 0 40 FHAB Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)NCCc1cccs1 23791981 JXTAVZWQKUPGPZ-VOTSOKGWSA-N 351.903 3.935 0 40 FHAB C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N(C)Cc1ccsc1 23957532 RXNDQDVFJIEUJS-HNNXBMFYSA-N 366.486 3.607 0 40 FHAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1cccc(-c2nnco2)c1 24738826 HZIVZESVDLMXRD-UHFFFAOYSA-N 360.373 3.963 0 40 FHAB C[C@H](OC[C@H]1CCCO1)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 106530223 PNEUVKBFAHKIQB-NJZAAPMLSA-N 355.887 3.577 0 40 FHAB COCCN1C(=O)c2ccccc2N[C@H]1C1=Cc2cc(Cl)ccc2OC1 25311077 XFBWQBSODIFKRO-LJQANCHMSA-N 370.836 3.656 0 40 FHAB O=C(OCCOc1ccccc1Cl)c1ccc(N2CCCC2=O)cc1 3299946 UTNLWXVJWYBDHG-UHFFFAOYSA-N 359.809 3.703 0 40 FHAB O=C(CSc1nnc(Nc2ccccc2F)s1)NC1CCCCC1 3237753 QWAFYPMBFSZMFT-UHFFFAOYSA-N 366.487 3.962 0 40 FHAB COc1ccc(C(=O)NCc2csc(-c3ccccc3)n2)cc1OC 20478637 VLCTYXTZGYBYAL-UHFFFAOYSA-N 354.431 3.757 0 40 FHAB O=C(COC(=O)c1ccccc1Cl)NCc1ccc(F)cc1Cl 57471799 IOYNSAXKIPNSPT-UHFFFAOYSA-N 356.180 3.606 0 40 FHAB CCN(CC)C[C@@H](C)[C@H](C)OC(=O)C(O)(c1ccccc1)c1ccccc1 1841033 FYKBYTUHWXJHBK-MOPGFXCFSA-N 369.505 3.832 0 40 FHAB O=C1[C@H]2Sc3ccccc3N[C@@H]2C(=O)N1c1ccccc1C(F)(F)F 102948475 YBQRTYUDGSJFHG-KBPBESRZSA-N 364.348 3.534 0 40 FHAB Brc1ccccc1CSCc1nnnn1-c1ccccc1 57995978 RTBGTWJKFTZMFA-UHFFFAOYSA-N 361.268 3.858 0 40 FHAB Cc1cc(Br)ccc1NCc1cc(=O)n2c(C)cccc2n1 8727480 LEAQCEZWZDFGKU-UHFFFAOYSA-N 358.239 3.686 0 40 FHAB O=C(Cc1cccc2ccccc12)NCc1ccccc1Cn1cccn1 10234884 XPMCPUJQWSMUDC-UHFFFAOYSA-N 355.441 3.944 0 40 FHAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc(C)c1Cl 27794893 OSWXUUYFXRKAOE-LBPRGKRZSA-N 374.824 3.694 0 40 FHAB COc1ccc(NC(=O)[C@H](C)n2c(-c3cccs3)n[nH]c2=S)cc1 58430234 YXMFOFBIZHSQNH-JTQLQIEISA-N 360.464 3.877 0 40 FHAB C[C@H](CNC(=O)c1ccc2[nH]cnc2c1)c1nc2ccccc2n1C(F)F 10639587 DHIWQFDGHVNQCE-LLVKDONJSA-N 369.375 3.841 0 40 FHAB CCc1cccc(CC)c1NC(=O)CSc1nc([C@H]2CCCO2)n[nH]1 27226812 RRIMAVKKYVSXJJ-CQSZACIVSA-N 360.483 3.512 0 40 FHAB Cc1c(-c2cnn(C)c2C)nn(-c2ccc(F)cc2)c1-c1cnn(C)c1C 36611585 WSOPSOYDLXREGT-UHFFFAOYSA-N 364.428 3.738 0 40 FHAB CCOc1cc(C(=O)N2CCC(OCC)CC2)cc(OCC)c1OCC 48354196 ZKKGWKADIYVIAR-UHFFFAOYSA-N 365.470 3.524 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)c2ccccc2OC[C@@H]2CCCO2)c1 12819495 GXGQFHSLWGBBDB-INIZCTEOSA-N 369.417 3.592 0 40 FHAB O=C(c1ccccc1)N1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1 12982648 OHJXMVHTVGSQTD-UHFFFAOYSA-N 366.505 3.624 0 40 FHAB O=C(O)c1cccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c1 3635352 QOPAXITVPOJESI-OQLLNIDSSA-N 357.362 3.760 0 40 FHAB COc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 8916017 JJKHIUGVALPGRM-AWEZNQCLSA-N 367.405 3.768 0 40 FHAB CCn1c(SCc2nnc(-c3ccccc3OC)o2)nnc1C(C)C 20034467 UPVRZVLKBMAADB-UHFFFAOYSA-N 359.455 3.772 0 40 FHAB CCc1cccc(C)c1NC(=O)CSc1nc(Cc2ccccc2)n[nH]1 13955802 QZRTZNCXENDNLD-UHFFFAOYSA-N 366.490 3.997 0 40 FHAB Cc1nc2cc3c(cc2n1CC(=O)Nc1ccc(Cl)cc1)OCCCO3 14000705 XFHOSYNAIOZJRV-UHFFFAOYSA-N 371.824 3.798 0 40 FHAB Cc1cc(NS(=O)(=O)c2cccc(Cl)c2)ccc1N1CCCC1=O 5329318 QSOXKNMYPJMOPX-UHFFFAOYSA-N 364.854 3.576 0 40 FHAB Cn1c(SCC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nnc1C1CC1 6653703 FRCRAMPGRDVHLC-UHFFFAOYSA-N 372.494 3.652 0 40 FHAB COC(=O)c1ccc(CSc2nnc(-c3ccccc3OC)o2)cc1 6786336 MYWZJDDFZIOETO-UHFFFAOYSA-N 356.403 3.824 0 40 FHAB CSc1ccccc1C(=O)Nc1cc2c(cc1C(=O)O)OCCCO2 6939894 DFZCKBPIKIRXKS-UHFFFAOYSA-N 359.403 3.520 0 40 FHAB C[C@H]1CN(c2ccccc2NC(=O)N[C@@H]2C[C@@H]2c2ccccc2)C[C@@H](C)O1 67582715 JUYCDFCLAVLDLR-YNVMFWSZSA-N 365.477 3.978 0 40 FHAB CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccccc2Br)C1 67801217 PXVYFGOCAJEVSE-CYBMUJFWSA-N 355.276 3.548 0 40 FHAB CCCC1(CCC)NC(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O 8156392 YMMUAYWARBCALV-UHFFFAOYSA-N 356.466 3.639 0 40 FHAB O=C(CSc1ccc(Br)cc1)NCCOc1ccccc1 8391346 SWNVTFQEPUCTFC-UHFFFAOYSA-N 366.280 3.736 0 40 FHAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)CS2 9721507 ZFIABTPXJQSQSU-UZLBHIALSA-N 368.458 3.871 0 40 FHAB Cc1noc2nc(C3CC3)cc(C(=O)NCCO[C@@H]3CCCC[C@H]3C)c12 84066727 MGXOFWVOHAHQBG-SJKOYZFVSA-N 357.454 3.734 0 40 FHAB Cc1nc(S)sc1CC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 84064584 HADIXWKWOYLRJT-UHFFFAOYSA-N 369.462 3.800 0 40 FHAB CCN(CC)C(=O)CCCNC(=O)c1cccc(N[C@H](C)C(C)C)c1C 72304057 HSMNJLFQHPLMEE-QGZVFWFLSA-N 361.530 3.830 0 40 FHAB CCC[C@@H]1C(=O)NCCN1c1ncnc2scc(-c3ccc(F)cc3)c12 95451665 OSYYPCSBAUIQDU-OAHLLOKOSA-N 370.453 3.602 0 40 FHAB CO[C@@H]1[C@H](C)[C@H](NC(=O)Cc2csc(-c3ccsc3)n2)C1(C)C 95987021 KPRCHHHSBVWGKW-WKPIXPDZSA-N 350.509 3.590 0 40 FHAB O=C(Nc1nc2c(s1)CCCC2)c1ccc(OC[C@H]2CCCO2)cc1 9913507 VAMRQRVIMHQHFZ-OAHLLOKOSA-N 358.463 3.832 0 40 FHAB O=C(Nc1ccc2oc(C3CC3)nc2c1)N[C@@H]1CCC[C@H]1n1ccnc1 75092580 QTKOLDDOSHEOMY-GDBMZVCRSA-N 351.410 3.817 0 40 FHAB C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1 60920140 YYGRBZAODCUQQX-UHFFFAOYSA-N 366.822 3.657 0 40 FHAB CCn1c(SCC(=O)Nc2ncccc2C)nnc1-c1ccccc1C 409167220 HXYMOTCPPVVCPO-UHFFFAOYSA-N 367.478 3.708 0 40 FHAB CC(C)COC(=O)c1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1 408732103 SAHMYFOMFMOKIX-ZDLGFXPLSA-N 367.376 3.983 0 40 FHAB COc1cccc(NC(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCCC[C@H]3C)C2)c1 35312899 OASMZMFZFUKDCS-GPMSIDNRSA-N 373.497 3.634 0 40 FHAB CCCn1c(O)nnc1S[C@@H](C(=O)Nc1ccccc1Cl)C(C)C 32325610 TVQVKQUGIJDZQK-CYBMUJFWSA-N 368.890 3.803 0 40 FHAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cc(Cl)nc2ccccc12 32666205 KQHQZNFRQYWMLG-UHFFFAOYSA-N 371.799 3.738 0 40 FHAB O=C(Oc1ccc(-c2nnco2)cc1)c1ccc(OC[C@@H]2CCCO2)cc1 32996059 DWEHIHGQTPFLRW-SFHVURJKSA-N 366.373 3.514 0 40 FHAB O=S(=O)(Oc1cccc(-c2nnco2)c1)c1ccc2ccccc2c1 30520422 AXXICOPFZAMJKE-UHFFFAOYSA-N 352.371 3.658 0 40 FHAB CC(C)COc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)cc1Cl 30201280 PYFYVGWVYUKCRE-UHFFFAOYSA-N 371.828 3.603 0 40 FHAB C[C@]1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 70915646 NGTKYDCBAVGDLQ-NRFANRHFSA-N 351.402 3.732 0 40 FHAB Cn1c(CO)nc2cc(-c3nc4cc(C(F)(F)F)ccc4n3C)ccc21 76556464 XRZOPYYBSRKEII-UHFFFAOYSA-N 360.339 3.638 0 40 FHAB O=C(N[C@@H]1CCCc2c1cnn2-c1ccncc1)[C@@H]1C[C@H]1c1ccccc1 71195727 FCTJTNUMHNLONK-NLWGTHIKSA-N 358.445 3.565 0 40 FHAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CCc1ccccc1 78579234 LKQGIXUXUPTVKY-UHFFFAOYSA-N 355.825 3.981 0 40 FHAB Cc1ccc(NC(=S)NCc2ccccc2CN2CCCC2=O)c(C)c1 45704367 OTMNWHMQUKAQMA-UHFFFAOYSA-N 367.518 3.912 0 40 FHAB COc1cccc(-c2nnsc2C(=O)N[C@@H](C)c2ccc(F)cc2)c1 225768391 YPFHDTNWPODXSH-NSHDSACASA-N 357.410 3.844 0 40 FHAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1 222947984 RREYUOJSXUGHTF-GOSISDBHSA-N 352.478 3.563 0 40 FHAB Cc1ccc(C(C)C)c(OCC(=O)NCc2nc(-c3ccccc3)no2)c1 44778901 ZSJDVQUFRAVQNF-UHFFFAOYSA-N 365.433 3.864 0 40 FHAB CCc1ccc(NC(=S)NCc2nc(-c3ccc(OC)cc3)no2)cc1 225823664 GULDKAIOOMRZAL-UHFFFAOYSA-N 368.462 3.794 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)NCc2cccc(CN3CCCC3)c2)c(C)c1 224626628 PUXLNACRWFRCFJ-IBGZPJMESA-N 366.505 3.983 0 40 FHAB c1cncc(CN2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)c1 49169775 MFYOWSCIQVUAMT-INIZCTEOSA-N 359.433 3.526 0 40 FHAB biogenic,in-vitro CCCOC1(C(=O)Nc2ccc(OCCOCC)nc2)CCCCCC1 225910087 CUOFGZSKJPZEEC-UHFFFAOYSA-N 364.486 3.955 0 40 FHAB Cn1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 224449047 JGVKQJUROZBIDN-MSOLQXFVSA-N 352.438 3.736 0 40 FHAB Fc1cnc(OC2CCN(Cc3ccccc3C(F)(F)F)CC2)nc1 1203698142 ONEFXVNGNLDZDO-UHFFFAOYSA-N 355.335 3.678 0 40 FHAB FC(F)(F)C(F)(F)COCCOc1ccc(-c2nncs2)cc1 582635376 PEPOXORBEDSBJC-UHFFFAOYSA-N 354.300 3.798 0 40 FHAB c1ccc(COC[C@H]2CC3(CCN(Cc4ccsc4)CC3)CO2)nc1 96209410 VFAJADJWECPXPX-LJQANCHMSA-N 358.507 3.731 0 40 FHAB CC[C@@H](C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 98003440 HUUUDZSAIPGCNX-ZTMOJVSCSA-N 366.870 3.539 0 40 FHAB CC(=O)Nc1cccc2c1ccn2CC(=O)NCc1ccccc1Cl 96231875 XBYNRQDXYDZJAB-UHFFFAOYSA-N 355.825 3.570 0 40 FHAB COC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1c(O)ccc2nsnc12 96232043 GKDPGJVLDXHDJM-MRVPVSSYSA-N 368.336 3.509 0 40 FHAB CO[C@@H](CNC(=O)c1ccc2nsnc2c1)c1cc2ccccc2o1 253472591 NTEGVNYWKTZUAU-KRWDZBQOSA-N 353.403 3.555 0 40 FHAB Cc1cc2nc([C@@H]3CCCCN3C(=O)c3cc4ccccc4[nH]3)ccn2n1 257215352 CPSRNKOKUQJHPN-IBGZPJMESA-N 359.433 3.886 0 40 FHAB CC[C@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@@H](C)C2)C1 1613689025 YMJREVKPKUDQIW-CBGDNZLLSA-N 373.545 3.577 0 40 FHAB Cc1cc(NC(=O)N2CCC[C@](O)(C(F)(F)F)CC2)ccc1Cl 654301058 SRLCDFZGPDFABR-CQSZACIVSA-N 350.768 3.960 0 40 FHAB CC(C)C[C@H](C(=O)N[C@H](CC(F)(F)F)C(=O)O)c1ccc(Cl)cc1 659150776 GBEAWMNFOBRIMW-QWHCGFSZSA-N 365.779 3.992 0 40 FHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1nc(C2CCC2)n[nH]1 680597512 OFSGNBALFRUBGK-UHFFFAOYSA-N 361.471 3.679 0 40 FHAB C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(C(C)(C)C)nc3)cn2)C[C@@H](C)O1 1304633702 TYDICWNBMYKYKE-HUUCEWRRSA-N 368.481 3.640 0 40 FHAB CC(C)c1ccc(OCC(=O)NCc2ccnc(-c3ccncc3)c2)cc1 390828048 NXBDXIQMIMAHCJ-UHFFFAOYSA-N 361.445 3.962 0 40 FHAB C[C@H](NC(=O)Nc1ccc(I)cc1)c1ccccn1 48304346 QTFDZKUQCLLRRZ-JTQLQIEISA-N 367.190 3.569 0 40 FHAB O=C(CSCc1ccc(Cl)s1)N1CCc2ccc(O)cc2C1 52865611 DPVSVQZWHIJXLX-UHFFFAOYSA-N 353.896 3.925 0 40 FHAB O=C(C1CC1)[C@@H]1CN(Cc2csc(-c3ccc(Cl)cc3)n2)CCO1 514206463 PTGRJGGCJMBSIS-INIZCTEOSA-N 362.882 3.643 0 40 FHAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2cncc(O)c2)N1c1ccc(F)cc1 1615160999 VCKRAVPWCUQCQB-OALUTQOASA-N 369.440 3.588 0 40 FHAB CCN1CCC[C@@H](SC(=O)C(O)(c2ccccc2)c2ccccc2)C1 5047910 ZFXCYBWAFFMYAB-LJQANCHMSA-N 355.503 3.667 0 40 FHAB O=C(CCCn1cnc2ccccc2c1=O)Nc1ccc(F)c(Cl)c1 5243720 BNOWSOLMTFSERP-UHFFFAOYSA-N 359.788 3.608 0 40 FHAB Cc1csc([C@H](Cc2ccsc2)NC(=O)Cn2nc(C)c(C)c2C)n1 12227435 FSRDKGHNOBJXPC-INIZCTEOSA-N 374.535 3.735 0 40 FHAB Cc1cccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 14003305 QKLVATYTPAJUOF-UHFFFAOYSA-N 364.401 3.536 0 40 FHAB Cc1n[nH]c(C)c1NC(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1 14404443 IFBFOYXQHVDMQB-MDZDMXLPSA-N 366.446 3.992 0 40 FHAB COc1ccc([C@@H]2CC(=O)c3cnn(-c4ccccc4F)c3C2)c(OC)c1 17075205 JTKGUCSCAOSRKY-ZDUSSCGKSA-N 366.392 3.941 0 40 FHAB CN1CCCN(C(=O)c2cc3c(s2)CCC3)c2nc3ccccc3nc21 17364403 YZXSFSLJNDPQCI-UHFFFAOYSA-N 364.474 3.667 0 40 FHAB Cc1noc(C)c1[C@H](C)CNC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1 151462013 NNRPTTXXSPMAER-DNVCBOLYSA-N 370.497 3.705 0 40 FHAB Cc1cccc(CN2C(=O)S/C(=C3\C(=O)Nc4ccccc43)C2=O)c1 6478644 FJBVYRCAKZKQPW-NXVVXOECSA-N 350.399 3.554 0 40 FHAB O=C(NCc1ccccc1CC(F)(F)F)Nc1cnc2c(c1)COCC2 626484202 NAEKLZQGRVEJDF-UHFFFAOYSA-N 365.355 3.581 0 40 FHAB Cc1ccc(-c2ccc(N3CCN(C(=O)C4CCCC4)CC3)nn2)cc1C 11695296 WXDXVHJEEMWMIT-UHFFFAOYSA-N 364.493 3.599 0 40 FHAB COc1cc(OC)c(N[C@H](C)C(=O)Nc2nc(C)c(C)s2)cc1Cl 29486944 JAXSWRHKRFBTJZ-SECBINFHSA-N 369.874 3.870 0 40 FHAB CCC[C@@H](NC(=O)CCc1nc(-c2cccnc2)no1)c1ccccc1 32824662 KTFLCLUNERELDZ-QGZVFWFLSA-N 350.422 3.722 0 40 FHAB Cc1csc2nc(CN(Cc3ccccc3)Cc3ccco3)cc(=O)n12 25397309 JMTBLIBBKCPVMV-UHFFFAOYSA-N 365.458 3.860 0 40 FHAB Cc1ccc(-n2nc3c(c2NC(=O)c2cccs2)C[S@@](=O)C3)c(C)c1 4224947 DWTUAZDKQIABGA-VWLOTQADSA-N 371.487 3.565 0 40 FHAB CCOC(=O)c1ccc(NC(=O)C2(c3cccs3)CCOCC2)cc1 4478980 YNFMOOZCLSBVFL-UHFFFAOYSA-N 359.447 3.612 0 40 FHAB O=C(c1ccc2c(c1)OCO2)N(C(=O)N1CCCCC1)c1ccccc1 10254451 QPYSLWBOLAVSSD-UHFFFAOYSA-N 352.390 3.668 0 40 FHAB COc1cccc(CN2CCC3(CC[C@H](CN(C)C(C)C)OC3)CC2)c1 2055835446 JOWDIARTJLYKQW-OAQYLSRUSA-N 360.542 3.797 0 40 FHAB O[C@H](CSc1ccccc1Cl)CN1CCN(c2ccccc2)CC1 20384929 XXQIVDMNQZDYMB-KRWDZBQOSA-N 362.926 3.615 0 40 FHAB O=C1C[C@H](N2CCc3ccccc32)C(=O)N1c1cc(Cl)cc(Cl)c1 100933007 BRAYFQBTHPPVDA-INIZCTEOSA-N 361.228 3.688 0 40 FHAB CCc1nc2ccc(C(=O)Nc3cccnc3-n3cccn3)cc2nc1CC 31951032 DIKGYSJMUXJHSH-UHFFFAOYSA-N 372.432 3.588 0 40 FHAB COCCN1C(=O)c2n[nH]c(-c3ccco3)c2[C@H]1c1ccc(Cl)cc1 20715828 MNSVRDGOANQFBJ-QGZVFWFLSA-N 357.797 3.515 0 40 FHAB Cc1ccc(C(=O)NCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)s1 32343233 ICDRUNBDXMQVFW-GFCCVEGCSA-N 373.503 3.616 0 40 FHAB C[C@@H]1C[C@H](Sc2ncc(-c3ccccc3)n2CC(F)(F)F)C(=O)O1 51971325 UTWNXJPOOVWQMS-MFKMUULPSA-N 356.369 3.909 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H]1CCOc2ccccc21 32744552 CTYJPFSWDVBDGY-FQEVSTJZSA-N 361.445 3.672 0 40 FHAB CC(=O)Nc1cccc(Nc2nnc(SC[C@H]3CCCO3)s2)c1 32778995 KDBOMVQPYCPGFR-CYBMUJFWSA-N 350.469 3.511 0 40 FHAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1csnn1 11914405 HGTBOGOTIKQTDP-UHFFFAOYSA-N 359.432 3.696 0 40 FHAB Cc1cc(C(F)(F)F)nn1C(=O)COc1ccccc1Br 1085047 CORPPDXUQANTKC-UHFFFAOYSA-N 363.133 3.692 0 40 FHAB O=C(CN1C(=O)CSc2ccccc21)Nc1cccc2c1CCCC2 18116289 UOYSNLGBBSVNBC-UHFFFAOYSA-N 352.459 3.643 0 40 FHAB CCCn1nnnc1NCc1ccc(OCc2ccc(C)cc2)c(OC)c1 7263366 CXHSWOQPHXLQEV-UHFFFAOYSA-N 367.453 3.591 0 40 FHAB Cc1cccc(C)c1N1C[C@@H](C(=O)Oc2cccc3cccnc23)CC1=O 7929448 UKMPVQVWXINUAL-KRWDZBQOSA-N 360.413 3.810 0 40 FHAB CCCOc1ccc(S(=O)(=O)NCc2cccnc2)c2ccccc12 12291753 AKZWFURFECIXAH-UHFFFAOYSA-N 356.447 3.502 0 40 FHAB O=C1[C@H]2CC=C(Cl)C[C@H]2C(=O)N1CNc1ccc(Cl)c(Cl)c1 103528123 VOPRBEDUOSXYRV-WDEREUQCSA-N 359.640 3.881 0 40 FHAB CCOc1ccc(C(=O)N2CCN(c3cccc(C)c3)CC2)cc1OCC 53197970 RPWXLQWPRMLZPM-UHFFFAOYSA-N 368.477 3.755 0 40 FHAB CC(C)S(=O)(=O)/C(Cl)=C(\Cl)C(=O)Nc1ccccc1Cl 12338521 XSNIWFUENKJVSJ-KHPPLWFESA-N 356.658 3.748 0 40 FHAB O=C(OCc1ccc(Br)cc1F)c1ccc2nccnc2c1 41770408 INRHHPUGYMAYNS-UHFFFAOYSA-N 361.170 3.888 0 40 FHAB O=C(COc1ccccc1)Oc1ccc(NC(=O)c2cccs2)cc1 22370700 KGZSFFOPZQCGPJ-UHFFFAOYSA-N 353.399 3.985 0 40 FHAB C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)[C@H]1C[C@H]2CC[C@H]1C2 104095798 RJRLFRZPHMGDFA-HCCHORAYSA-N 372.484 3.619 0 40 FHAB O=C(NCCc1c[nH]c2ccccc12)Nc1ccc(-n2cccn2)c(F)c1 47767092 SXALGZUKQZHLBZ-UHFFFAOYSA-N 363.396 3.857 0 40 FHAB CCC(CC)[C@@H](CNC(=O)c1cccc(Cl)c1Cl)N1CCOCC1 22898659 XTRORTXQVHWHHV-MRXNPFEDSA-N 373.324 3.860 0 40 FHAB CC(C)c1ccc(CN(C)C(=O)CCc2nc(-c3ccncc3)no2)cc1 23099467 ANZMLBXNKCVBCX-UHFFFAOYSA-N 364.449 3.846 0 40 FHAB CCC[C@H](c1nnnn1C(C)C)N1CCN(c2cccc(C)c2C)CC1 57670137 VQJBBMSPYQWNDO-LJQANCHMSA-N 356.518 3.534 0 40 FHAB COC(=O)c1c(NC(=O)c2ccc(Br)o2)sc(C)c1C 1087790 DQDWXSMPBSHIDF-UHFFFAOYSA-N 358.213 3.759 0 40 FHAB O=C(O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 34362126 HJPBMMFGHALHBV-UHFFFAOYSA-N 357.207 3.929 0 40 FHAB COc1cccc(CNC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)c1 1385088 VBPPJVGLAWVMRY-UHFFFAOYSA-N 355.360 3.596 0 40 FHAB COCCn1c(SCc2ccc(Cl)cc2)nc2ccccc2c1=O 3263272 SJWOJINKQDNCKZ-UHFFFAOYSA-N 360.866 3.989 0 40 FHAB COc1ccc(CCN(C)Cn2cnc3cc(C)c(C)cc32)cc1OC 25776914 JCUCIQLKMUMAAM-UHFFFAOYSA-N 353.466 3.802 0 40 FHAB CCOc1ccc2cc(C(=O)Nc3ccc(Cl)c(C(N)=O)c3)[nH]c2c1 56638744 JZXYQVVBUQOSRM-UHFFFAOYSA-N 357.797 3.571 0 40 FHAB O=C(COC(=O)C1C[C@H]2CCC[C@H](C1)C2=O)Nc1ccc2ccccc2c1 103137835 AUASNSDSJRTCAR-IAGOWNOFSA-N 365.429 3.717 0 40 FHAB Cc1cccc(NC(=O)Cn2cnc3c(sc4ccccc43)c2=O)c1C 57507982 GOSSNJYVADAFHP-UHFFFAOYSA-N 363.442 3.867 0 40 FHAB O=C(OCC(=O)N1CCCc2ccccc21)c1cnc(Cl)c(Cl)c1 3361671 HICLTUUCICGFFR-UHFFFAOYSA-N 365.216 3.525 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)N2c3cccc4cccc(c34)S2(=O)=O)cc1 28731379 ACLFYRJXTLEQKQ-AWEZNQCLSA-N 366.442 3.684 0 40 FHAB Cc1cc(CNC(=O)c2c(-n3cccc3)sc3c2CCSC3)on1 58391576 MDQHAFOIACTRJO-UHFFFAOYSA-N 359.476 3.555 0 40 FHAB COc1ccc([C@@H]2CCCCCN2C(=O)CSc2cccc[n+]2[O-])cc1 45239827 LTLBZFWOVZNWML-SFHVURJKSA-N 372.490 3.565 0 40 FHAB CC[C@H](C)Nc1nnc(S[C@H](C(=O)NC2CC2)c2ccccc2)s1 10769116 KNWLQSJBVVWZMP-FZMZJTMJSA-N 362.524 3.861 0 40 FHAB Cc1cc(NC(=O)[C@H](C)OC(=O)CCSc2ccc(Cl)cc2)on1 11002857 FXENGTAAMUOZPH-NSHDSACASA-N 368.842 3.689 0 40 FHAB COc1cccc(-c2cc(C(F)(F)F)nc(N(C)Cc3ccn[nH]3)n2)c1 36618671 NASOWWZTYCBFFE-UHFFFAOYSA-N 363.343 3.531 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1cc(=O)[nH]c2ccccc12 11461096 AODKOUCCHTUQRS-CYBMUJFWSA-N 374.396 3.746 0 40 FHAB Cc1c(Cl)cccc1NC(=O)CCN1C(=O)[C@H](C)Oc2ccccc21 12913785 DDLSJQMPOGWVMF-ZDUSSCGKSA-N 358.825 3.791 0 40 FHAB NC(=O)c1ccc(NC(=O)/C=C/c2ccc3ccc(Cl)cc3n2)cc1 12924667 OUUBVUDALQHYDB-MDZDMXLPSA-N 351.793 3.639 0 40 FHAB COc1ccc(CCc2nnc3sc(-c4cccs4)nn23)cc1OC 13690383 XIQXSTJVROIIPO-UHFFFAOYSA-N 372.475 3.717 0 40 FHAB CCc1ccccc1NC(=O)Cn1c(CC)nc2cc3c(cc21)OCCO3 64795080 LXQQKUSPZDZMLO-UHFFFAOYSA-N 365.433 3.571 0 40 FHAB Brc1cc2c(cc1CN1CCc3sccc3C1)OCCO2 22549656 IQWPPXBZPAQICW-UHFFFAOYSA-N 366.280 3.840 0 40 FHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2ncnc3sccc23)cc1 6115301 PTCAAAFBNUCBGG-SNVBAGLBSA-N 372.475 3.769 0 40 FHAB CC[C@@H](C)OC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 5151079 QAEBZOVFPWMIDC-GFCCVEGCSA-N 364.405 3.763 0 40 FHAB Cc1noc(C)c1NC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 78716746 FBYWMSJIVSJAAM-PHIMTYICSA-N 362.405 3.688 0 40 FHAB CC1(C)CC(NC(=O)Cc2csc(-c3cccs3)n2)CC(C)(C)N1 8723647 DKNRYEXILITVIB-UHFFFAOYSA-N 363.552 3.840 0 40 FHAB O=C1CCc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2N1 14068041 FUGKPEBCYLFOKA-UHFFFAOYSA-N 350.296 3.722 0 40 FHAB COCc1c(C(=O)N(C)Cc2cscn2)sc2cccc(F)c12 65575263 PUVXIIODNBWIDY-UHFFFAOYSA-N 350.440 3.916 0 40 FHAB CCCN1C(=O)[C@](O)(CC(=O)c2c(C)coc2C)c2cc(Cl)ccc21 5306347 KLQFKMYESLJABZ-IBGZPJMESA-N 361.825 3.767 0 40 FHAB O=C(Nc1cccc(Oc2ccccc2)c1)c1ccc(-c2nnn[nH]2)cc1 14168370 WAPGNTYIQJRSOP-UHFFFAOYSA-N 357.373 3.911 0 40 FHAB COc1ccc(OCCCC(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 14201120 YYESUDUIYRJZRY-UHFFFAOYSA-N 368.437 3.819 0 40 FHAB C[C@@H](OC(=O)c1ccc(C2SCCS2)cc1)C(=O)NC1CCCC1 5584869 WDCWOJZKPZGSRW-GFCCVEGCSA-N 365.520 3.769 0 40 FHAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1 4741061 CSCXMCJRSRADKU-UHFFFAOYSA-N 361.341 3.523 0 40 FHAB COc1cc(C)c(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1OC 5616519 FIRHOYWJRRDGCO-NSHDSACASA-N 372.446 3.697 0 40 FHAB C[C@@H]1CCCC[C@]12NC(=O)N(Cc1csc(-c3ccc(F)cc3)n1)C2=O 14845288 CZVXIMRRDCLQPH-BLVKFPJESA-N 373.453 3.950 0 40 FHAB CCn1c(S[C@H](C(=O)N(C)C)c2ccccc2)nnc1-c1cccs1 6842671 LPRRJRDDYFABMQ-HNNXBMFYSA-N 372.519 3.948 0 40 FHAB O[C@]1(CNCc2c[nH]nc2-c2ccc(F)cc2)CCCc2ccccc21 66906339 QOASFOLCBBHXKE-NRFANRHFSA-N 351.425 3.530 0 40 FHAB Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2ccc(SC(F)F)cc2)n1 7177411 VRNKGUQKITZYJM-VIFPVBQESA-N 370.450 3.801 0 40 FHAB O=C1CSc2ccc(C(=O)OCc3ccc(F)cc3Cl)cc2N1 9074435 XMSHHZCCQSTBAB-UHFFFAOYSA-N 351.786 3.880 0 40 FHAB O=C(CSc1nnc(C2CC2)n1C1CC1)c1ccc2c(c1)OCCCO2 7550892 QMSXCQHGHRZSHC-UHFFFAOYSA-N 371.462 3.627 0 40 FHAB CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc2c(c1)OCO2 7804859 GJOALLMPZLZKIT-UHFFFAOYSA-N 366.339 3.505 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCC[C@H](C)C3)c2)cc1 16642320 XYUHIVNHKYIOHJ-INIZCTEOSA-N 372.490 3.668 0 40 FHAB C[C@H](NC(=O)c1ccco1)C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 8230654 BDUXLKGDSCNPLB-CVEARBPZSA-N 362.429 3.942 0 40 FHAB O=S(=O)(NCCCn1ccc2ccccc21)c1ccc(Cl)s1 8343209 ZVZBGPZPTMMJGB-UHFFFAOYSA-N 354.884 3.725 0 40 FHAB CCCN(C(=O)c1ccccc1Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 9447712 HDPBXIQBSODLKV-INIZCTEOSA-N 373.474 3.518 0 40 FHAB CCc1cccc(CC)c1NC(=O)CN1C(=O)[C@@H](C)Oc2ccccc21 19982267 CIJKLIDVQZYWQF-CQSZACIVSA-N 352.434 3.564 0 40 FHAB COc1ccc(NC(=O)COC(=O)c2cc(F)ccc2Cl)cc1Cl 72330110 OBRNUWIAVUKFJZ-UHFFFAOYSA-N 372.179 3.937 0 40 FHAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)c1ccco1 22907908 WQGUUISUYXWPOT-KRWDZBQOSA-N 352.459 3.871 0 40 FHAB O=C(c1ccco1)n1nc(-c2cccs2)nc1NCc1cccs1 9667671 YGLALYHYXBAMQS-UHFFFAOYSA-N 356.432 3.962 0 40 FHAB CC[C@H](Oc1cccc(C)c1)C(=O)N1CCN(c2ccc(F)cc2)CC1 20042181 IQSUYGZHBRKPNL-FQEVSTJZSA-N 356.441 3.640 0 40 FHAB CN(C)c1c(F)cc(NC(=O)CCOc2ccc(F)cc2F)cc1F 95364922 QSWMEVCHOQSOHV-UHFFFAOYSA-N 356.319 3.717 0 40 FHAB C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1nc2ccccc2[nH]1 84647256 XHBODTRPBVIREB-DOMZBBRYSA-N 359.426 3.567 0 40 FHAB Cn1ccc(NC(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)n1 95999668 BZSVNAVEFWUFRH-OAHLLOKOSA-N 366.425 3.619 0 40 FHAB O=C(Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccccc2)C1)C1CCCC1 95998725 BNKOPLZAHLMEPP-KRWDZBQOSA-N 366.465 3.558 0 40 FHAB COc1ccc(Br)c(CC(=O)OCCc2scnc2C)c1 89565501 UUGVOWWHQWUPMW-UHFFFAOYSA-N 370.268 3.551 0 40 FHAB O=C(NCC1(C2CC2)CCC1)c1nnn(-c2ccc(F)cc2)c1C1CC1 89793886 XWQCWZOHQWQNKI-UHFFFAOYSA-N 354.429 3.594 0 40 FHAB CS(=O)(=O)Nc1ccc(-c2noc([C@@H](c3ccccc3)C3CC3)n2)cc1 544108591 PIVQHNSAZKTHDJ-KRWDZBQOSA-N 369.446 3.650 0 40 FHAB CC[C@@H](NS(=O)(=O)c1c(C)cc(OC)cc1C)c1ccc(OC)cc1 116926720 QCYSQKKBDSACQZ-GOSISDBHSA-N 363.479 3.750 0 40 FHAB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 65739195 WZTUZRFSDWXDRM-IAGOJMRCSA-N 364.913 3.973 0 40 FHAB in-vitro O=C1CCc2cc(OCC(=O)Nc3ccc4c5c(cccc35)CC4)ccc2N1 32905762 GWJGHYKIBIEMBO-UHFFFAOYSA-N 372.424 3.841 0 40 FHAB COc1ccc(-c2ccc(OC(=O)c3ccc(C)cc3)nn2)cc1OC 408534183 TYDLOHJAHOXVPI-UHFFFAOYSA-N 350.374 3.688 0 40 FHAB CC(C)(C)N1CCC(NC(=O)c2cnccc2Oc2ccccc2)CC1 548862862 ATDRLWIQLZQOGX-UHFFFAOYSA-N 353.466 3.867 0 40 FHAB Cc1cc(C(=O)N(C)C2CCCC2)ccc1NS(=O)(=O)c1ccccc1 30758747 WRCIFMOYXGHCBT-UHFFFAOYSA-N 372.490 3.810 0 40 FHAB Cc1cccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3nc(C)c(C)s3)n2)c1 72191864 RLHQAJRRCSELTI-LBPRGKRZSA-N 373.507 3.973 0 40 FHAB O=C(NCCCc1ccccc1Cl)c1ccc(N2CCCC2=O)cc1 219201133 FCGTYOVEAUXQQV-UHFFFAOYSA-N 356.853 3.829 0 40 FHAB Cc1ccc(S(=O)(=O)c2ccc(CSc3nc(C)n[nH]3)cc2)cc1 32330762 ZEMFEHUMSFZLJT-UHFFFAOYSA-N 359.476 3.547 0 40 FHAB O=C(O)c1ccc2c(c1)[C@@]1(C[C@H]1c1ccc(Br)cc1)C(=O)N2 217477613 SGRFNIKUQSWNJU-SUMWQHHRSA-N 358.191 3.525 0 40 FHAB Cc1ncccc1Oc1cncc([C@@H]2CCCN2C(=O)C2CCCC2)n1 72383964 FTWJJMNIJZFAOD-KRWDZBQOSA-N 352.438 3.826 0 40 FHAB NC[C@H]1[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218645992 CCBRIIRNEXJGBX-ARFHVFGLSA-N 356.274 3.508 0 40 FHAB Cc1c(C(=O)NCCc2nc(-c3ccccc3)no2)oc2ccc(F)cc12 32593756 GRPMFGOQFNOLPH-UHFFFAOYSA-N 365.364 3.903 0 40 FHAB CCc1nnc2sc(-c3cccc(N4Cc5ccccc5C4=O)c3)nn12 226287179 XGNCHSAGXLDHSV-UHFFFAOYSA-N 361.430 3.576 0 40 FHAB CC(C)C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)n1cccc1 575443202 DFQOSOGNDHDMIX-NRFANRHFSA-N 353.510 3.856 0 40 FHAB CCCc1ccc([C@H](NC(=O)c2cnc3ccccn3c2=O)C(C)C)cc1 40057997 ILEWXGWOTOCRMV-HXUWFJFHSA-N 363.461 3.774 0 40 FHAB COc1ccc(C(=O)Nc2cc(N)ccc2N2CCCC[C@@H]2C)cc1OC 226255287 SCZVVPWTVMRJPK-AWEZNQCLSA-N 369.465 3.917 0 40 FHAB O=C(COc1ccc(F)cc1)NCC[C@@H](O)c1cccc2ccccc12 77116740 QNMQWRRPISXWCW-HXUWFJFHSA-N 353.393 3.598 0 40 FHAB CC(C)(C)OC(=O)N1CCC(NC(=O)Cc2ccc3c(c2)CCCC3)CC1 40158031 XOUIZFRIIDZAHZ-UHFFFAOYSA-N 372.509 3.624 0 40 FHAB COC(=O)c1cccn1-c1cc(Br)ccc1Br 223744608 DGYXAZZHWDGHJP-UHFFFAOYSA-N 359.017 3.789 0 40 FHAB COc1cccc(-c2noc(CCC(=O)Nc3c(F)cccc3F)n2)c1 225824074 BOMCRXQAQLTNSD-UHFFFAOYSA-N 359.332 3.595 0 40 FHAB O=C(NCC1COC1)c1ccccc1Nc1cccc(C(F)(F)F)c1 530113049 PQIDIWPEUUNXJH-UHFFFAOYSA-N 350.340 3.825 0 40 FHAB Cc1cccc(NC(=O)N2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)c1 96239239 MAPDLFIQJAUOMM-IBGZPJMESA-N 355.463 3.717 0 40 FHAB O=C(Nc1cccc2c1OCCC2)N1CC2(CCC2)[C@H]1C1CCOCC1 584347360 DCPMKSSABHXDAW-LJQANCHMSA-N 356.466 3.825 0 40 FHAB O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)NCCC1=CCCCC1 95474141 QAFAWVQVEBBHIJ-KRWDZBQOSA-N 373.888 3.507 0 40 FHAB COc1ccc([C@H]2SC(C)=Nc3c2c(O)nn3C2CCOCC2)cc1 95478277 GWZPKNWKHQOAOC-MRXNPFEDSA-N 359.451 3.835 0 40 FHAB O=C1NC(=O)/C(=C\c2ccc(C(=O)NCc3ccccc3Cl)cc2)S1 97996710 ASTWATWPVKZSSB-OQLLNIDSSA-N 372.833 3.594 0 40 FHAB Cc1ccncc1CCCN1CCO[C@@H](c2cccc(OC(F)F)c2)C1 585084338 FADMLBHIGAHHGB-LJQANCHMSA-N 362.420 3.998 0 40 FHAB CCCn1nccc1-c1cnc(CC2CCN(C(=O)C(C)(C)C)CC2)cn1 257265205 LXSNIBMJNCQGFY-UHFFFAOYSA-N 369.513 3.577 0 40 FHAB Cc1ncsc1C(=O)N1CCOC[C@@H](Cc2ccc3ccoc3c2)C1 257267885 MJGFXTVHPYUCJA-HNNXBMFYSA-N 356.447 3.529 0 40 FHAB Cc1ccc2c(CN3CCN(c4ccccc4F)CC3)cc(=O)oc2c1 54105992 IGUAWSGLFFKKMN-UHFFFAOYSA-N 352.409 3.563 0 40 FHAB biogenic CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NC(C)(C)c1cccc(Cl)c1F 655407228 MADUVLMEUYGWRY-AWEZNQCLSA-N 368.880 3.868 0 40 FHAB CSCc1nnc2sc(COc3ccc(Cl)cc3Cl)nn12 1775972093 DXXNYUNMHTXRKO-UHFFFAOYSA-N 361.279 3.935 0 40 FHAB Cn1ccc([C@H]2CCCN(C(=O)c3ccccc3C(=O)c3ccccc3)C2)n1 390828149 ADIDGZJCNXDRKT-SFHVURJKSA-N 373.456 3.671 0 40 FHAB O=C(Nc1ccn(Cc2ccccc2)n1)C1CCN(Cc2ccccc2)CC1 57175538 DCDGPDWBCSULCV-UHFFFAOYSA-N 374.488 3.782 0 40 FHAB CCc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)cc1 8083639 JSDZAYWPYFKDOP-VMOJBDSFSA-N 372.490 3.686 0 40 FHAB Cc1ccccc1CNC(=O)c1cccc(I)c1 5089827 AJDCRGHDJYSXSD-UHFFFAOYSA-N 351.187 3.530 0 40 FHAB O=C(c1ccco1)c1noc(-c2ccco2)c1S(=O)(=O)c1ccccc1 5684514 GDXUWQNOQZNQJZ-UHFFFAOYSA-N 369.354 3.591 0 40 FHAB CN(/C=C/c1nnnn1-c1ccc(Br)cc1)c1ccccc1 5797644 FMOPWANNKYWLRO-VAWYXSNFSA-N 356.227 3.532 0 40 FHAB CC(C)Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 11659029 URHUJOLISYUNPE-OAHLLOKOSA-N 374.506 3.748 0 40 FHAB Nc1c(C(=O)NCCc2ccccc2)sc(=S)n1-c1ccc(F)cc1 13547261 JTRUVOMPRUMCDN-UHFFFAOYSA-N 373.478 3.962 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)ccc1C 13685743 PKJJJCQEKBYOMG-INIZCTEOSA-N 354.450 3.849 0 40 FHAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1C(=O)c1ccccc1 14307995 GDPMNGFOUATENF-UHFFFAOYSA-N 373.408 3.919 0 40 FHAB O=C(NCc1ccccc1Cl)[C@H]1CC(=O)N(c2ccccc2Cl)C1 15513736 LIGGOULAXWZAAH-ZDUSSCGKSA-N 363.244 3.663 0 40 FHAB COP(=O)(OC)c1nc(-c2ccc(C)cc2)oc1N1CCCCC1 15952794 FURUSEQCWRTSGL-UHFFFAOYSA-N 350.355 3.752 0 40 FHAB CC(C)CC(=O)N[C@@H](Cc1cc(N(C)C)nc(C2CC2)n1)c1ccccc1 19446612 QNRMJZPLLFVLNF-IBGZPJMESA-N 366.509 3.866 0 40 FHAB Cc1cc(C(=O)Nc2cc(-c3csnn3)ccc2C)c2c(C)noc2n1 19715836 ZSRUNJOBSFTTGR-UHFFFAOYSA-N 365.418 3.919 0 40 FHAB CCOc1ccc(NC(=O)c2cc(Br)ccc2OC)c(N)c1 226349674 MLTFPYXCIHFTAP-UHFFFAOYSA-N 365.227 3.691 0 40 FHAB Cc1cccc(N2CCN([C@H](C)C(=O)Nc3ccccc3Cl)CC2)c1 22012638 KVMBCXDQFNJCOM-MRXNPFEDSA-N 357.885 3.798 0 40 FHAB O=C(O)c1cc(Br)c(OCC(F)F)c(Br)c1 236438679 IDAGQMXVDTXUTG-UHFFFAOYSA-N 359.948 3.554 0 40 FHAB Fc1ccc2nc(N3C[C@H]4CN(c5ncccc5F)C[C@@H]4C3)sc2c1 2087047079 KOBNVXIAXKRZQB-VXGBXAGGSA-N 358.417 3.542 0 40 FHAB COc1ccc(OC)c2sc(N3CCN(c4ccccc4)CC3)nc12 4057374 PFIDCHSABKJHOL-UHFFFAOYSA-N 355.463 3.640 0 40 FHAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3sc(C)nc3c2)cc1 5189147 FYRIZCVKKPFPAG-UHFFFAOYSA-N 374.487 3.716 0 40 FHAB COc1cc([C@@H]2CC(=O)Nc3[nH]ncc32)ccc1OCc1ccccc1F 15081879 XOFGBXMMISXLIW-AWEZNQCLSA-N 367.380 3.611 0 40 FHAB CN(C)CCCN1C(=O)c2ccc(Cl)c3c(Cl)ccc(c23)C1=O 20215512 YJWCBYZKGASXGP-UHFFFAOYSA-N 351.233 3.694 0 40 FHAB CC(C)OC(=O)C1=C(N)S[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 20458744 BSLGUYDUCVWHIZ-QFBILLFUSA-N 367.470 3.890 0 40 FHAB Cc1cc(C)n([C@H](CNC(=O)CCc2c(C)noc2C)c2cccs2)n1 575610529 PHRAYTRIOFTPDW-QGZVFWFLSA-N 372.494 3.505 0 40 FHAB CC(C)(C)[C@@H]1CNC(=O)[C@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1 585149877 WSLUZDGGQQSUTH-MOPGFXCFSA-N 366.461 3.612 0 40 FHAB COC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC(C)(C)NC2(C)C 4275270 UVNLTBIWNVUFDD-UHFFFAOYSA-N 372.490 3.946 0 40 FHAB CC1CCC(NC(=O)c2ccccc2SCC(=O)N2CCCC2)CC1 31810247 GHQIZUJFSGVICI-UHFFFAOYSA-N 360.523 3.710 0 40 FHAB CCN(CC)[C@@H](CNC(=O)c1ccc(OC)c(F)c1)c1ccsc1 31986738 AZAPZSAYJDYICF-INIZCTEOSA-N 350.459 3.709 0 40 FHAB CN1C(=O)[C@]2(Nc3ccccc3C(=O)N2Cc2ccccc2)c2ccccc21 101638274 BVOOEWOKZVDBBZ-QHCPKHFHSA-N 369.424 3.584 0 40 FHAB CC1(C)OC(=O)C2=C1NC(=O)C[C@H]2c1ccc(-c2cccc(Cl)c2)o1 101716160 IAZLXEJQIDHPCO-LBPRGKRZSA-N 357.793 3.793 0 40 FHAB O=S(=O)(c1ccc(NC[C@H]2CCN(c3ccccc3)C2)cc1)C(F)F 52001434 BIGJVSPYBADMQL-CQSZACIVSA-N 366.433 3.621 0 40 FHAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2ncnc2N1 703559 WIMGQDOVIDIDFX-QGZVFWFLSA-N 365.824 3.859 0 40 FHAB CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1ccccc1 870541 IYOBKZPKWAEQDY-HOCLYGCPSA-N 358.511 3.752 0 40 FHAB O=C(c1cc2ccccc2oc1=O)N(Cc1cccs1)C[C@@H]1CCCO1 908029 IDPCPTRHHUVZGC-HNNXBMFYSA-N 369.442 3.676 0 40 FHAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1 12082347 NTDMOJVJHXCFHE-IZZDOVSWSA-N 364.493 3.609 0 40 FHAB CCOC(=O)CSCc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 1069001 COMCPFUYTUCTBZ-UHFFFAOYSA-N 359.447 3.744 0 40 FHAB Cc1cc(C)c2c3c(sc2n1)C(=O)N(c1ccccc1C)CC(=O)N3 1036556 YNBVPCLRBJFCEA-UHFFFAOYSA-N 351.431 3.820 0 40 FHAB CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(Oc2cccc(C)c2)cc1 32995950 NCYFNDZHNQIQNN-KSSFIOAISA-N 355.438 3.809 0 40 FHAB C[C@H]1CC[C@H]2C(=O)N(c3ccccc3OC(=O)c3cccs3)C(=O)[C@@H]2C1 4553624 VROIQTUKVPMSDX-BFHYXJOUSA-N 369.442 3.893 0 40 FHAB COc1cc(C)c(NC(=O)c2ccc(-c3nc(C)no3)cc2)cc1OC 32908281 SELVYCVIPYJBJT-UHFFFAOYSA-N 353.378 3.623 0 40 FHAB C[C@H]1CCC[C@@H](NC[C@H](O)COCCOc2ccc(Cl)cc2)[C@@H]1C 6640860 OSISLWGQAJWPLM-JHDROBOHSA-N 355.906 3.511 0 40 FHAB CCCCn1nnnc1NCc1ccccc1OCc1ccccc1F 7262219 WWCZVUIWYOJGQA-UHFFFAOYSA-N 355.417 3.803 0 40 FHAB O=C(CCCC(=O)OCC(=O)Nc1ccccc1Cl)Nc1ccccc1 8412788 MAHYNKJCVBMEGU-UHFFFAOYSA-N 374.824 3.631 0 40 FHAB Cc1cccc(-c2nc(C(=O)O)nn2-c2ccc(Br)cc2)c1 8730820 NZWHPJJSQJQREC-UHFFFAOYSA-N 358.195 3.703 0 40 FHAB COc1ccc(OC)c(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 53357711 JZYPYRJMLHFMEJ-QGZVFWFLSA-N 351.406 3.557 0 40 FHAB Cc1nc(NC(=O)c2ccc(Br)o2)ccc1Br 679562 RHPDRNTUSRTUGG-UHFFFAOYSA-N 360.005 3.760 0 40 FHAB O=C1COc2ccc(C(=O)COc3c(Cl)cccc3Cl)cc2N1 57470516 GXRRGOQFKRDFQW-UHFFFAOYSA-N 352.173 3.586 0 40 FHAB COc1cccc(NC(=S)N2CCN(/C=C/c3ccccc3)CC2)c1 51271035 CDKYRWYUGUITNQ-ZHACJKMWSA-N 353.491 3.681 0 40 FHAB Cc1ccc(CNC(=O)CCCn2c(=S)[nH]c3ccsc3c2=O)cc1 2925416 SRLQDSXBDUQVPG-UHFFFAOYSA-N 373.503 3.526 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)CN1CCN(Cc2cccs2)CC1 22784131 GVKXHFQNENLBER-UHFFFAOYSA-N 371.550 3.936 0 40 FHAB CCOc1cc2c(cc1NC(=O)c1cc3ccccc3c(=O)[nH]1)O[C@H](C)C2 23008484 BFLAHAVLRQFSFV-GFCCVEGCSA-N 364.401 3.503 0 40 FHAB CCOC(=O)[C@H]1CCCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C1 54675327 LGNBBTKNLRWGBR-NSHDSACASA-N 366.870 3.812 0 40 FHAB NC(=O)Cc1ccc(NC(=O)COc2ccc3oc4ccccc4c3c2)cc1 24486456 SSGOYSYVZHBFSY-UHFFFAOYSA-N 374.396 3.631 0 40 FHAB CN(Cc1ccc(OC[C@@H]2CCCO2)cc1)Cc1nc2ccccc2n1C 93795421 BOWJAKOOUDHDLU-IBGZPJMESA-N 365.477 3.763 0 40 FHAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCOc2ccccc21 24586103 IMSYDFKVVSRRFD-UHFFFAOYSA-N 368.414 3.941 0 40 FHAB CC(C)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 55176120 JAVOAZGEIUGUPV-XJKSGUPXSA-N 368.424 3.502 0 40 FHAB O=C(CCc1ccccc1)OCc1cc(=O)n2c(n1)sc1ccccc12 24831478 RFILNNPEBHOKOF-UHFFFAOYSA-N 364.426 3.585 0 40 FHAB O=C(NCCSCc1cccs1)Nc1cccc(-c2nnco2)c1 44086681 YSEUJGZMCROPQX-UHFFFAOYSA-N 360.464 3.853 0 40 FHAB Cc1ccc(NC(=O)NC(=O)CN2CCCc3cc(F)c(F)cc32)c(C)c1 26343416 USCZZPMVVNGPHH-UHFFFAOYSA-N 373.403 3.683 0 40 FHAB COC(=O)c1c(C)[nH]c(-c2ccco2)c1[C@@H]1C(=O)Nc2ccc(C)cc21 101620631 PLBOQQUINIVQCP-MRXNPFEDSA-N 350.374 3.762 0 40 FHAB CC1(C)CC(O)CC(C)(C)N1C[C@@H](O)CO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 101214110 NVKSSTCWFDFJDJ-BREDGVMVSA-N 367.574 3.593 0 40 FHAB C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)n1cc(C(F)(F)F)ccc1=O 3363007 YVRNIAKDFSZULI-LRDDRELGSA-N 364.367 3.622 0 40 FHAB Cc1ccccc1Nc1nc(N)nc(CN(C)Cc2ccccc2Cl)n1 3327672 RQLJXERUHJDFLW-UHFFFAOYSA-N 368.872 3.791 0 40 FHAB CCCc1noc(CCCC(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C)n1 58265188 UXPGOTRDYZTIIL-AWEZNQCLSA-N 366.465 3.972 0 40 FHAB COC(=O)c1cc(NC(=O)c2cccc3ccccc23)cc(C(=O)OC)c1 2173841 LHKDFXYCAQFIEL-UHFFFAOYSA-N 363.369 3.665 0 40 FHAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(=O)oc1 2264943 STZZSRSEIRFXMH-UHFFFAOYSA-N 353.761 3.777 0 40 FHAB Cc1cc(N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)ccc1N1CCCC1=O 10750386 LENNSAODNILULN-ZDUSSCGKSA-N 373.403 3.839 0 40 FHAB CCOC(=O)c1ccc2[nH]/c(=N\C(=O)Nc3cccc(OC)c3)sc2c1 36359924 NTTQLMYPZJCRFR-UHFFFAOYSA-N 371.418 3.548 0 40 FHAB O=C(CCCNC(=O)c1ccc(F)cc1F)Nc1ccccc1Cl 12776071 XKBRKHZVRDOESI-UHFFFAOYSA-N 352.768 3.767 0 40 FHAB CCOc1ccc(C(=O)Nc2cccc(C(=O)NCC(F)(F)F)c2)cc1 11447537 DBZMUFYZNPRMRQ-UHFFFAOYSA-N 366.339 3.630 0 40 FHAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCc1ccco1 12856282 GUFMWSOFEYVJQC-UHFFFAOYSA-N 373.840 3.541 0 40 FHAB CC(C)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 3483893 BLKSCFFQTUUXPF-UHFFFAOYSA-N 352.463 3.551 0 40 FHAB C[C@@H](Sc1nnc(-c2ccccc2)n1C)C(=O)N1CCc2ccccc21 3544835 DCPQMCAKOLCYFJ-CQSZACIVSA-N 364.474 3.552 0 40 FHAB COc1cc(C(=O)NCCC2CCCC2)cc(OC)c1Br 13017417 XBNSWAMCUNUWOT-UHFFFAOYSA-N 356.260 3.776 0 40 FHAB C[C@@H](NC(=O)c1cccs1)C(=O)Nc1nc2ccc(Cl)cc2s1 8772280 NWEARVKMEVYRAJ-MRVPVSSYSA-N 365.867 3.768 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@H](C)Cn2nc(C(F)(F)F)cc2C)cc1 28237860 QKPLXAXBKRVCFH-SNVBAGLBSA-N 353.344 3.688 0 40 FHAB COc1ccc(C(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C)cc1 14093448 RCMNUSATHGEPOR-NSHDSACASA-N 359.476 3.916 0 40 FHAB Cc1ccc(CSc2nnc([C@@H]3COc4ccccc4O3)n2C)cc1 14092833 FOMYBYVLJWSKLX-KRWDZBQOSA-N 353.447 3.928 0 40 FHAB Cc1cc2oc(=O)cc(CN(CCO)Cc3ccccc3)c2cc1Cl 70927402 GCCZTUZPOYRXKD-UHFFFAOYSA-N 357.837 3.749 0 40 FHAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc(Oc2ccccc2)cc1 5326001 PAVOXVZGKVLMKF-UHFFFAOYSA-N 371.400 3.771 0 40 FHAB O=C(CSc1nc2ncccc2[nH]1)Nc1cc(Cl)cc(Cl)c1 6565647 FENDLMOJKKNXGT-UHFFFAOYSA-N 353.234 3.996 0 40 FHAB Cc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)n1CCc1ccccc1 6670116 PQDZMKVJZBUUGZ-UHFFFAOYSA-N 364.836 3.787 0 40 FHAB O=C([C@@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCc2ccccc2C1 4746196 ZZXDFSHHBHAVRL-HXUWFJFHSA-N 352.453 3.623 0 40 FHAB CC(=O)N[C@H](CC(=O)N1CCCCC[C@@H]1c1cccn1C)c1cccs1 67510113 GRJKKEGHUYOUAE-SJLPKXTDSA-N 373.522 3.798 0 40 FHAB CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccc(OC)cc1 9281933 QMLYJLSJRJNTPA-UHFFFAOYSA-N 350.418 3.507 0 40 FHAB O=C(CN1CCC[C@H]1c1cccs1)NCCOc1ccc(Cl)cc1 7443106 XXTWOEFYBAMEQU-INIZCTEOSA-N 364.898 3.734 0 40 FHAB CSCC[C@@H](NC(=O)c1cc2ccccc2o1)c1nnc2ccccn12 15972999 DLLBMDILMMYPCF-CQSZACIVSA-N 366.446 3.700 0 40 FHAB CC(C)(C(=O)N[C@H]1CCOc2ccc(F)cc21)c1ccc2c(c1)OCCO2 68165097 WIEZZCOPLZAKOA-INIZCTEOSA-N 371.408 3.515 0 40 FHAB C[C@@H](NC(=O)CCc1nc2ccccc2o1)c1ccc(-n2ccnc2)cc1 9219998 MFFWQQYOLPXJCP-OAHLLOKOSA-N 360.417 3.824 0 40 FHAB COc1ccc2nc(SCC3CCN(C(=O)C(C)(C)C)CC3)[nH]c2c1 96010351 OJZXGJDDISTTGY-UHFFFAOYSA-N 361.511 3.948 0 40 FHAB Cc1onc(-c2ccccc2)c1C(=O)NC[C@H](c1ccco1)N1CCCC1 8230203 WLKXPFYSYAXVCM-QGZVFWFLSA-N 365.433 3.810 0 40 FHAB O=C(NC1(c2cccc(Br)c2)CCOCC1)[C@H]1C[C@@H]1C1CC1 84363424 LEKPYSIDTQNNEY-CVEARBPZSA-N 364.283 3.617 0 40 FHAB COc1cc([C@H]2CC(c3cccc(C)c3)=NN2C(C)=O)cc(OC)c1OC 95115888 YNVXQYIHDODGJM-GOSISDBHSA-N 368.433 3.718 0 40 FHAB Cc1ccc(OC2CCN(CC(=O)Nc3ccccc3Cl)CC2)nc1 95462518 VVTPRDHFFONJBP-UHFFFAOYSA-N 359.857 3.525 0 40 FHAB Cc1cc([C@@H](C)NC(=O)[C@@H](CC(C)C)N2CCCCC2=O)c(C)s1 79069425 WUVCUIQVMSZOAD-RHSMWYFYSA-N 350.528 3.969 0 40 FHAB CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)Nc1cccc2c1OCCO2 75104793 DXQYKOQVBUNJII-SFHVURJKSA-N 370.449 3.509 0 40 FHAB O=C(NC1CCCCC1)[C@H]1Cc2ccccc2CN1Cc1ccc(O)cc1 39350947 FBEOKYOPIMDGJS-JOCHJYFZSA-N 364.489 3.768 0 40 FHAB CC(=O)Nc1ccc(OC[C@H](O)COc2cc(Cl)ccc2Cl)cc1 36391887 RLUXIQDZXFSLAX-AWEZNQCLSA-N 370.232 3.771 0 40 FHAB O=C(O)c1ccccc1[C@@H]1c2sc(=O)[nH]c2S[C@@H]2[C@@H]3CC[C@@H](C3)[C@H]12 170612414 CVZSTKXZJGBVGW-SXOBOVJOSA-N 359.472 3.787 0 40 FHAB COc1ccc(-c2cc(C)nc(SCC(=O)Nc3cccnc3)n2)cc1 409386462 UDFFXLFXMRKXFM-UHFFFAOYSA-N 366.446 3.586 0 40 FHAB CCc1ccccc1-n1ncc2c1N=C(O)C[C@@]21C(=O)Nc2ccccc21 32095256 CYKHNKXSCITYNY-NRFANRHFSA-N 358.401 3.665 0 40 FHAB O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CC(c2cccc(F)c2)=NO1 36833066 NHPUTVMGQZDRDF-YDHLFZDLSA-N 358.335 3.556 0 40 FHAB CCCCc1nnc(NC(=O)CCCc2nnc(-c3ccccc3)o2)s1 32924091 ZBARTYSMFRKNNN-UHFFFAOYSA-N 371.466 3.892 0 40 FHAB CC(C)c1nccn1-c1nccnc1[C@H]1CCCN(Cc2cccnc2)C1 72350560 XQBQJKHNSNICIS-SFHVURJKSA-N 362.481 3.560 0 40 FHAB CCOc1ccc(-c2cc3c(=O)n(Cc4cccc(C)c4)ccn3n2)cc1 64977458 MZANPRFRLGAUJA-UHFFFAOYSA-N 359.429 3.918 0 40 FHAB O=C(Nc1nnc(Cc2ccccc2)s1)c1cncn1-c1ccccc1 39969558 CLQAHECCXRSXOR-UHFFFAOYSA-N 361.430 3.567 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 224267567 RMXDXKBVNKEZLU-OAQYLSRUSA-N 366.505 3.789 0 40 FHAB CCCCCNC(=O)c1snnc1-c1ccc(Br)cc1 225785799 VBURRWWGMSYMGK-UHFFFAOYSA-N 354.273 3.888 0 40 FHAB CCc1ccc(CC)c(CNC(=O)c2ccc(CN3CCCC3=O)cc2)c1 223440081 QVOVEQKKILZQLC-UHFFFAOYSA-N 364.489 3.864 0 40 FHAB COc1cccc(OC)c1COC(=O)c1snnc1-c1ccc(F)cc1 223842596 VUEGZAHDSSJRAV-UHFFFAOYSA-N 374.393 3.718 0 40 FHAB COc1ccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c(OC)c1 225204765 MVJSRNPEKAOSEF-AWEZNQCLSA-N 355.434 3.989 0 40 FHAB CCOc1ccc(-c2noc(CNC(=O)c3ccc(C)c(C)c3)n2)cc1 225804436 CSMUNSBZIGUSLW-UHFFFAOYSA-N 351.406 3.682 0 40 FHAB CCCCOCc1cc(C(=O)NCc2ccccc2OC)ccc1OC 224441864 WUJGKRXFHAKJCI-UHFFFAOYSA-N 357.450 3.951 0 40 FHAB COc1cc(NC(=S)NCCSCc2ccccc2)cc(OC)c1 225219142 OQMURZGKKXOTCU-UHFFFAOYSA-N 362.520 3.924 0 40 FHAB O=C(NC1CCCC1)C1CN(c2nc3c(C(F)(F)F)cccc3s2)C1 77191762 KMSUZCSOEDNDQD-UHFFFAOYSA-N 369.412 3.810 0 40 FHAB O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1ccnn1C1CCCC1 330035613 BVSKAKVHDZJEAA-MRXNPFEDSA-N 372.538 3.702 0 40 FHAB CCOCC(=O)Nc1cccc(-c2cc(C(F)(F)F)cnc2N(C)C)c1 91695571 YOGWMDCLAICLKZ-UHFFFAOYSA-N 367.371 3.808 0 40 FHAB CNCC1CCN(Cc2c(C)nn(Cc3ccccc3Cl)c2C)CC1 97102808 KCAYKNBLAROGPB-UHFFFAOYSA-N 360.933 3.633 0 40 FHAB CCCn1cnc2sc(C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c(C)c2c1=O 253589069 LAYCCNJSQYUECJ-ZQDZILKHSA-N 373.522 3.731 0 40 FHAB O=C(O)Cc1cccc(NC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)c1 630145447 ZWDRXHQSJXUNIV-SFHVURJKSA-N 372.852 3.570 0 40 FHAB C[C@@H](NC(=O)N[C@H](C)C1CCC(F)(F)CC1)c1ccc2c(c1)OCO2 654361854 ZJNOEQKXAUGQBY-VXGBXAGGSA-N 354.397 3.990 0 40 FHAB Cc1nc2c(c(N[C@@H](CO)c3cccc(C(F)(F)F)c3)n1)CCCC2 1307187670 ZTVZOPNKZASXKV-INIZCTEOSA-N 351.372 3.828 0 40 FHAB O=C(Nc1ccc(C2CCC2)cn1)N1CCC[C@@](O)(C(F)(F)F)CC1 297112335 QNIUWEWGYNTNTQ-INIZCTEOSA-N 357.376 3.660 0 40 FHAB O=C(OCc1coc(-c2cccs2)n1)c1ccc2c(c1)OCCCO2 48262747 RWIKJINDEKJDLM-UHFFFAOYSA-N 357.387 3.921 0 40 FHAB COC(=O)[C@@H](C)CN(Cc1ccccc1)Cc1nnc(-c2ccccc2)o1 58192459 PMKLYTQVUGQQHV-INIZCTEOSA-N 365.433 3.548 0 40 FHAB CC(C)n1cc2c(n1)[C@@H](NC(=O)C1(c3ccccc3)CCOCC1)CCC2 96002837 JTUHLGSNXWHOQC-IBGZPJMESA-N 367.493 3.706 0 40 FHAB Cc1cc(C)c(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c(C)c1 5559720 ZDOSFFAJQAAACK-UHFFFAOYSA-N 350.418 3.627 0 40 FHAB CC[C@@H](C)NC(=O)C1(C[C@H]2CC(c3ccc(C)cc3)=NO2)CCOCC1 12365666 KKKWOWPEGUHWLH-SJLPKXTDSA-N 358.482 3.590 0 40 FHAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccccc1F 13670513 JQNRHUJBNOQAEZ-CYBMUJFWSA-N 351.418 3.782 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 14139304 XMAVDZUTEIJNJS-CHWSQXEVSA-N 372.490 3.686 0 40 FHAB C[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)OCO2 14483619 JVJBPIQHABRIJP-JTQLQIEISA-N 353.296 3.805 0 40 FHAB Clc1ccc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)cc1Cl 19292964 GIHCHPQSFCCAMF-KRWDZBQOSA-N 363.292 3.766 0 40 FHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC1=CCCOC1)CC2 19550677 LOSMBJLOBOMSKA-QHCPKHFHSA-N 365.473 3.998 0 40 FHAB Cc1[nH]c2ccc(F)cc2c1[C@H](O)CN1CCN(c2ccccc2F)CC1 19581444 ZFQBNEIRDOSWPJ-HXUWFJFHSA-N 371.431 3.610 0 40 FHAB CCN(C(C)=O)[C@H]1CN(C(=O)c2sc(C)nc2C)C2(CCCCC2)C1 19704017 GXGIVJGQOHXFBE-MRXNPFEDSA-N 363.527 3.546 0 40 FHAB Cc1cc2cc(NC(=O)Cn3cnc4sccc4c3=O)cc(Cl)c2o1 19715399 ABBASEQGVPDGCO-UHFFFAOYSA-N 373.821 3.805 0 40 FHAB CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S 8325771 TUISGDNDXZHQIF-OTXQMUPVSA-N 359.831 3.544 0 40 FHAB Cc1ccc(-c2ccc(C(=O)O)o2)cc1NC(=S)NC(=O)CC(C)C 226350906 DXDUVTQFQOCYFC-UHFFFAOYSA-N 360.435 3.812 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)c3cnc4onc(C(C)C)c4c3)ccc21 14522216 RRVXIGVCFCEVMC-UHFFFAOYSA-N 364.405 3.508 0 40 FHAB Cc1cccc(C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)c1 4939921 NYRLOIZSKHTEQN-UHFFFAOYSA-N 374.444 3.541 0 40 FHAB COc1cc(OC)cc(-c2nnc(NC(=O)Cc3ccc(C)cc3C)o2)c1 5268146 ONUDXUXKUKREOO-UHFFFAOYSA-N 367.405 3.552 0 40 FHAB Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)c1 8959007 CXKMNFXFWHAOIA-UHFFFAOYSA-N 365.458 3.785 0 40 FHAB COCC(=O)Nc1ccc(Nc2cc(C)nc(NC3CCCCC3)n2)cc1 42384896 FJHLWORDXCASDY-UHFFFAOYSA-N 369.469 3.858 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@H]3c3ccsc3)cn2)n1 40110503 MDIFWLJXCVMHGJ-KRWDZBQOSA-N 352.463 3.923 0 40 FHAB COC(=O)c1cnc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)s1 40131967 KSAQPWVYJHBZLS-INIZCTEOSA-N 368.414 3.689 0 40 FHAB CC(=O)N(c1nc(C)c(C(=O)Nc2ccc3cc[nH]c3c2)s1)C1CC1 40267713 MKRUPLOVKPHXQS-UHFFFAOYSA-N 354.435 3.700 0 40 FHAB COc1ccc(C2=C[C@@H](c3ccc(F)c(F)c3)n3ncnc3N2)cc1OC 100758062 BSSNXTPUPXSKTH-INIZCTEOSA-N 370.359 3.630 0 40 FHAB CCOCc1ccccc1CNC(=O)c1cnc2c(cnn2CC(C)C)c1 60272635 FDTSVOFHHCBAJD-UHFFFAOYSA-N 366.465 3.554 0 40 FHAB CNC(=S)N(Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 884683 KZRBWBGFQYBLNZ-UHFFFAOYSA-N 371.531 3.713 0 40 FHAB COC(=O)c1ccccc1C(=O)c1cc(OC)c2c(c1OC)CCCC2 1703359 HUMNODGQOIQVGJ-UHFFFAOYSA-N 354.402 3.600 0 40 FHAB CCCc1cc(=O)[nH]c(SCCC(=O)Nc2ccc(Cl)cc2F)n1 32871004 XDEBAGPMYZBDED-UHFFFAOYSA-N 369.849 3.636 0 40 FHAB CC(=O)c1ccc(OC(=O)c2cccc(I)c2)cc1 3550016 UCFPEJKZPJTTJF-UHFFFAOYSA-N 366.154 3.713 0 40 FHAB CC(=O)Nc1cccc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)c1 32900964 HWYOJWKIIVSTFV-UHFFFAOYSA-N 365.437 3.611 0 40 FHAB CN(C)c1ccc(NC(=O)c2cc3cccc(Br)c3o2)cn1 32924260 PVLNEXCWEUDAHF-UHFFFAOYSA-N 360.211 3.909 0 40 FHAB O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 7400464 ZELAMCZNNCPDCL-NSHDSACASA-N 366.314 3.836 0 40 FHAB Cc1cccc(-c2noc(CNC(=O)CCCOc3ccccc3)n2)c1 7759815 KZVDYWPNTVWDFD-UHFFFAOYSA-N 351.406 3.520 0 40 FHAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@@H]1CCCc2ccccc21 7986123 GXAPMWHBCOIGER-LZGZYFLISA-N 366.505 3.513 0 40 FHAB CCC[C@H](C)NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 10369598 IWZWLVLFPNTZFT-HNNXBMFYSA-N 360.479 3.714 0 40 FHAB O=C(NCc1ccoc1)Nc1cccc(COc2ccc3c(c2)OCO3)c1 47088303 ROUROFUXGNFFFC-UHFFFAOYSA-N 366.373 3.909 0 40 FHAB CNC(=O)Cc1ccccc1NC(=O)c1ccc(-c2ccccc2F)o1 41845120 NZEVFTMXSNZUMC-UHFFFAOYSA-N 352.365 3.627 0 40 FHAB CCOC(=O)c1c(NC(=O)c2cc(F)cc(F)c2)sc2c1CCC2 707415 FFIIFXUZMAZBLP-UHFFFAOYSA-N 351.374 3.944 0 40 FHAB Cc1cc(C(C)(C)C)ccc1OC[C@H](O)Cn1cnc2ccsc2c1=O 22966412 PZNUWKDQXFPEHK-OAHLLOKOSA-N 372.490 3.504 0 40 FHAB Cc1c(C)c(C)c(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)c(C)c1C 23042584 JADFKVZRCDUSNB-UHFFFAOYSA-N 374.506 3.731 0 40 FHAB Cc1cc(C)c(CSc2nc3cc(Cl)ccc3c(=O)n2N)c(C)c1 71768830 DGHOXNNEIDIUAZ-UHFFFAOYSA-N 359.882 3.981 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCCc2ccccc21 20029986 WJORJLRNALNEHS-OAHLLOKOSA-N 351.855 3.705 0 40 FHAB C[C@@H](NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccco1 25257428 YEQWEPWBLVPIFC-CYBMUJFWSA-N 360.369 3.571 0 40 FHAB CC(C)CNC(=O)c1ccc(NCc2nc(-c3ccco3)no2)cc1Cl 55885657 RCEAHDUKYRDZOY-UHFFFAOYSA-N 374.828 3.981 0 40 FHAB CC[C@H](C)c1ccc(N[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 12527835 XKOGVQMKFLITQL-STQMWFEESA-N 352.438 3.809 0 40 FHAB Cn1cc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)cn1 25308943 IOYGTHIAFRZLIS-UHFFFAOYSA-N 357.417 3.584 0 40 FHAB CCCCc1nc(CN(C)CC(=O)Nc2c(Cl)cccc2Cl)no1 53603356 ATGIDHAQVKLYHH-UHFFFAOYSA-N 371.268 3.790 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc(C)s2)cc1 26311275 LDAOPLQKJQUBOK-OAHLLOKOSA-N 366.552 3.938 0 40 FHAB O=C(NCc1cc(-c2ccccc2)no1)C1(c2ccccc2)CCOCC1 57376455 QFSPLEKZVYLUNP-UHFFFAOYSA-N 362.429 3.706 0 40 FHAB O=C(O)c1cc(Cl)c(Cl)c(S(=O)(=O)Nc2cccc(F)c2)c1 97075244 OYLFBPSGWREXIB-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB O=C(CN1C(=O)CC(c2ccccc2)=Nc2ccccc21)NC1CCCC1 101354216 CTKFFLQASSDOLX-UHFFFAOYSA-N 361.445 3.603 0 40 FHAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2)C1 20050034 HCUWIBKDYSTKNT-HNNXBMFYSA-N 352.434 3.869 0 40 FHAB Cc1nc(C(=O)N(C)Cc2ccc([C@H]3C[C@H]3C)o2)nn1-c1ccc(F)cc1 53194569 MGNDXDCZKABYLM-PXAZEXFGSA-N 368.412 3.703 0 40 FHAB O=C(NCCc1ccc(Cl)cc1Cl)c1cc(=O)[nH]c2ccccc12 20427596 CRQKXSIDOFEZEZ-UHFFFAOYSA-N 361.228 3.807 0 40 FHAB Cc1cnc(NC(=O)[C@H]2CCC[C@@H](C(=O)Nc3ncc(C)s3)C2)s1 58197902 VHTRDVXYAYXBPA-TXEJJXNPSA-N 364.496 3.600 0 40 FHAB O=C(Cc1ccc2ccccc2c1)Nc1ccn(CCc2ccncc2)n1 58181593 BJXDJCWAVFJIPE-UHFFFAOYSA-N 356.429 3.855 0 40 FHAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 20459333 YXCVTZCMUKJGDE-AWEZNQCLSA-N 370.474 3.941 0 40 FHAB COc1ccc(-c2nonc2NC(=O)COc2cccc(Cl)c2)cc1C 27664336 OSJZXSZCBWZJNB-UHFFFAOYSA-N 373.796 3.725 0 40 FHAB CC(C)c1noc(CCCC(=O)Nc2cccc(Oc3cnccn3)c2)n1 48237671 ZGLNWVXELQSVKY-UHFFFAOYSA-N 367.409 3.737 0 40 FHAB O=C(COc1ccc(F)cc1)NC[C@H](c1cccs1)N1CCCCC1 27741219 TUMRGTAPDWZFPI-QGZVFWFLSA-N 362.470 3.609 0 40 FHAB C[C@H](CNC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F)N1CCc2sccc2C1 45019697 IQSRMHVLFHNKBK-SNPRPXQTSA-N 374.472 3.980 0 40 FHAB O=C(COC(=O)c1ccc(O)cc1)Nc1cc(C(F)(F)F)ccc1Cl 3312655 WXUGMQHGQPWIRM-UHFFFAOYSA-N 373.714 3.860 0 40 FHAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2cccc(OC)c2)c1 20105460 LWZYAWDHSHUNBJ-GOSISDBHSA-N 357.406 3.668 0 40 FHAB CC(=O)Nc1ccc(CC(=O)OCc2nc(-c3ccccc3)oc2C)cc1 11320594 GZYOPQOBAHJPSR-UHFFFAOYSA-N 364.401 3.894 0 40 FHAB CCS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 11380782 KDMFZBYJXUMLCA-UHFFFAOYSA-N 372.273 3.968 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc2sc3ccccc3n12 3495614 TUHNEKVVRFOHIP-VXGBXAGGSA-N 360.508 3.731 0 40 FHAB CCCCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 3402239 JEKZRRNSJDIUNT-UHFFFAOYSA-N 360.527 3.788 0 40 FHAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3O)c12 12943241 IPSOACDURCPJII-UHFFFAOYSA-N 358.401 3.902 0 40 FHAB COc1ccc(-n2c(SCCO)nnc2-c2ccc(Cl)cc2)cc1 8710640 JREDUGDLVXPOBG-UHFFFAOYSA-N 361.854 3.681 0 40 FHAB Cc1ccc([C@H](C)NC(=O)CSc2nnc(-c3cccnc3)o2)cc1C 6100081 POKBAWRIBOSIQG-AWEZNQCLSA-N 368.462 3.718 0 40 FHAB O=c1/c(=C/c2ccc(Cl)cc2)sc2nc(-c3cccc(Cl)c3)nn12 5100473 HHBJTZXSYNOYHU-ZSOIEALJSA-N 374.252 3.673 0 40 FHAB O=C(Nc1ccc(F)cc1)c1ccc(CS(=O)(=O)c2ccccc2)o1 14075962 JORCFHNFOMHLMV-UHFFFAOYSA-N 359.378 3.645 0 40 FHAB COCCn1cc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)c2ccccc21 65567112 ITVMISOPASYVNW-UHFFFAOYSA-N 374.343 3.862 0 40 FHAB C[C@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)NC(C)(C)C 14119914 YBFGKHUMURQKHH-VIFPVBQESA-N 354.476 3.816 0 40 FHAB CCN(Cc1ccc(C(N)=O)cc1)Cc1ccc(Br)s1 14188721 LSAWEYTWELHWMP-UHFFFAOYSA-N 353.285 3.632 0 40 FHAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)NCCCOC1CCCCC1 6989239 VDGVAFRKHZMVTO-BQYQJAHWSA-N 365.857 3.938 0 40 FHAB CCOc1ccc(NC(=O)[C@H](NC(=O)[C@H]2CCCC[C@@H]2C)C(C)C)cc1 9195065 UGIPMRSORYECDE-ZYSHUDEJSA-N 360.498 3.991 0 40 FHAB CCOc1ccc(Oc2ccccc2NC(=O)CN2CCSC2=O)cc1 15609684 IWQNEGFJLAHLDR-UHFFFAOYSA-N 372.446 3.985 0 40 FHAB Cc1noc(C)c1COc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1 7738206 KMBGXTKBJPFORX-UHFFFAOYSA-N 362.389 3.999 0 40 FHAB CC(C)[C@@H](NC(=O)CN1CCCC[C@@H]1C)c1ccc2c(c1)OCCCO2 16338658 KQZOXWFPCZBAEO-HRAATJIYSA-N 360.498 3.536 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCc1ccc2ccccc2n1 69461144 PQPYJXBBMOAIIW-UHFFFAOYSA-N 357.413 3.566 0 40 FHAB Cc1c(C(=O)NCC2(N3CCOCC3)CCCCC2)oc2ccc(F)cc12 27583625 WBOBLUGNYKIZRE-UHFFFAOYSA-N 374.456 3.645 0 40 FHAB COc1ccccc1Cc1nnc(C2(c3cccc(F)c3)CCOCC2)o1 71889966 KLWDUUYOXHLBPQ-UHFFFAOYSA-N 368.408 3.905 0 40 FHAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCn1c(C)csc1=O 71844311 KDVAWKRWHZTRGN-ROUUACIJSA-N 358.507 3.793 0 40 FHAB COc1ccc([C@H](C)NC(=O)c2cn[nH]c2-c2cccc(C)c2)cc1OC 72329133 QEDBNUYBSGRSIP-AWEZNQCLSA-N 365.433 3.893 0 40 FHAB NC(=O)c1oc2ccccc2c1NC(=O)/C=C/c1cccc2cccnc12 73471853 HPMHBPOGDOCFNF-ZHACJKMWSA-N 357.369 3.732 0 40 FHAB CC(C)COC(=O)N1CCCN(Cc2csc(-c3ccoc3)n2)CC1 95953666 BPAUPJYTKIIMFM-UHFFFAOYSA-N 363.483 3.703 0 40 FHAB CN1C(=O)c2cc(NC(=O)C3CCCCC3)ccc2Oc2ncccc21 79475216 QAIRZSCDSUHJEB-UHFFFAOYSA-N 351.406 3.983 0 40 FHAB Cc1ccc(C(=O)N[C@@H](C(=O)Nc2cnc(Cl)c(C)c2)C(C)C)cc1 75094339 TTZDJHRZIMSSQE-MRXNPFEDSA-N 359.857 3.745 0 40 FHAB O=C(N[C@@H]1CCN(CC2CCCC2)C1)c1cnoc1-c1ccc(Cl)cc1 89793797 DKGCGXBFFBGLHR-QGZVFWFLSA-N 373.884 3.989 0 40 FHAB C[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccccc1F)C(=O)N1c2ccccc2C[C@@H]1C 89941457 ZTZWLRKCIRSFKR-LBTBCDHLSA-N 367.420 3.839 0 40 FHAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(N(C)C)cc2)CC1 408710224 SXRXLDAVINNIMZ-UHFFFAOYSA-N 359.514 3.802 0 40 FHAB C[C@@H](Sc1nccc(C(F)(F)F)n1)C(=O)Nc1cc(F)ccc1F 22614530 CJXPRADAKFNFAD-SSDOTTSWSA-N 363.311 3.893 0 40 FHAB COc1ccc(-c2nnn(CSC)c2C(=O)Nc2ccc(C)cc2)cc1 32611883 ZCZJGXGATNKFPL-UHFFFAOYSA-N 368.462 3.835 0 40 FHAB O=C(Cc1ccccc1Cl)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 70639938 BAFFLAFMGOWITH-OAHLLOKOSA-N 357.759 3.751 0 40 FHAB Cc1c(I)cccc1-c1nc2ccc(N)cc2o1 216742928 MZZPICSONDBEEV-UHFFFAOYSA-N 350.159 3.990 0 40 FHAB C[C@H]1CCCN(c2ccc(NC(=S)NCc3ccc(F)cc3)cn2)C1 223947598 IAUDBDQIDJVZQS-AWEZNQCLSA-N 358.486 3.944 0 40 FHAB O=C(CCc1ccccc1)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 225485442 ZWDXDBIZRWKHQT-SFHVURJKSA-N 368.408 3.516 0 40 FHAB biogenic,in-vitro O=C(NCc1ccnc(OCc2ccccc2)c1)c1ccc(F)c(F)c1 40106787 SWBIKQBBTSVIPG-UHFFFAOYSA-N 354.356 3.869 0 40 FHAB COc1ccc(-c2nnc(NC(=O)COc3cc(C)ccc3C)s2)cc1 224313469 DSDBKNKAIPNEQR-UHFFFAOYSA-N 369.446 3.848 0 40 FHAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)[nH]1 223878487 UQGYSGTZRMDCBB-MSOLQXFVSA-N 350.447 3.601 0 40 FHAB Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc(Br)cc2)c1 49306608 BTSSXYYIBSTICE-UHFFFAOYSA-N 354.269 3.891 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 223762102 LFNMDNRBSNFOEP-INIZCTEOSA-N 372.896 3.744 0 40 FHAB Cc1cc(NC(=O)c2ccc(N)cc2)c(C)cc1I 226269072 COANOGWLHUAWHA-UHFFFAOYSA-N 366.202 3.743 0 40 FHAB CN(Cc1nc[nH]n1)C(=O)N[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 580164592 KARIIIFWMMLWAI-JKSUJKDBSA-N 361.877 3.716 0 40 FHAB CNC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccsc3)CC2)c2ccccc21 96241891 OOAFSLBWDNENBA-MRXNPFEDSA-N 368.502 3.546 0 40 FHAB CCN1c2cc(C(=O)Nc3cccc(F)c3)ccc2C(=O)N2CCCC[C@H]21 97944087 RQQSNCIFZZJSHJ-IBGZPJMESA-N 367.424 3.870 0 40 FHAB C[C@@H]1Cc2ccc(F)cc2N(C(=O)Cn2cc(C=O)c3ccccc32)C1 98063984 TXTZWCYFLARLJB-CQSZACIVSA-N 350.393 3.818 0 40 FHAB Cc1csc(Nc2nccnc2[C@@H]2CCCN(CC3CCOCC3)C2)n1 257274992 NNNJZLHEHPOQKT-MRXNPFEDSA-N 373.526 3.591 0 40 FHAB COC(C)(C)C(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257210394 BUKWHAHVLOSGNC-QGZVFWFLSA-N 360.429 3.883 0 40 FHAB COc1ncccc1C(=O)N1CCC(Cc2cnc3ccccc3c2)CC1 257227482 FPMRUCHUACSOJJ-UHFFFAOYSA-N 361.445 3.733 0 40 FHAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@H](C1CC1)[C@H]1CCCCO1 654412039 YNLHXLJSMKFDSG-XUVXKRRUSA-N 358.482 3.720 0 40 FHAB COc1ccc(Cl)cc1C(=O)[C@@H](Br)CBr 382696097 KRZWYBAFGDUZLE-QMMMGPOBSA-N 356.441 3.690 0 40 FHAB c1ccc2[nH]c(CN3CCCC[C@H]3c3nnc(C4CCOCC4)o3)nc2c1 561966976 DSFMGNHWRVQTPG-KRWDZBQOSA-N 367.453 3.567 0 40 FHAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)CCCc3cccs3)c2)n1 47317712 YVDSIIKFHLFJBS-UHFFFAOYSA-N 353.447 3.768 0 40 FHAB CN(Cc1cc2c(cc1Br)OCCO2)C1Cc2ccccc2C1 69418229 FMUMFUXFCGWQPN-UHFFFAOYSA-N 374.278 3.820 0 40 FHAB CCOc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 5240637 SQILBQLZOOXAHY-UHFFFAOYSA-N 358.463 3.638 0 40 FHAB Cc1nc(Cc2nnc(SCC(=O)Nc3cccc(C)c3C)o2)cs1 5834168 FGDHKHRQEOESNN-UHFFFAOYSA-N 374.491 3.773 0 40 FHAB O[C@H](CN1CCC(O)(c2ccccc2F)CC1)c1ccc2ccccc2c1 12292291 CMASPQHXKBFVGL-JOCHJYFZSA-N 365.448 3.996 0 40 FHAB COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C)cc2C)cc1 15935403 CDTCMDBINOUIJU-LJQANCHMSA-N 367.449 3.947 0 40 FHAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O 17072800 JCYQJCDGWABURO-HYRRULHTSA-N 350.827 3.635 0 40 FHAB O=C(Cn1ccnc1)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 19293006 IZNCKNIPEKGODV-UHFFFAOYSA-N 367.261 3.876 0 40 FHAB COCCCN(Cc1ccccn1)Cc1cc(C)cc(C)c1-n1cccn1 19566871 XYVPHLPUNVAPKQ-UHFFFAOYSA-N 364.493 3.923 0 40 FHAB O=C(CC[C@H]1CCC(=O)N1)Nc1cccc(-c2nc3ccccc3s2)c1 19717313 QOSHXTCOZOCSBY-CQSZACIVSA-N 365.458 3.961 0 40 FHAB C/C=C/C=C/C(=O)OCC(=O)Nc1ccc(Br)c(C)c1C 8433672 AABAHVUYTGCUOD-YTXTXJHMSA-N 352.228 3.680 0 40 FHAB C[C@H](NC(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1)c1c(F)cccc1Cl 625981320 OOIFZZNENKUVPX-DZGCQCFKSA-N 374.843 3.819 0 40 FHAB O=C(NC[C@H](c1ccsc1)N1CCC1)NC12CC3CC(CC(C3)C1)C2 252522870 BIHXPQZKDFLGLG-ZVQXUQNISA-N 359.539 3.763 0 40 FHAB CCc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCCC3)c(O)n2n1 22852939 UGINFDZXLKSHLE-CQSZACIVSA-N 362.886 3.897 0 40 FHAB COc1ccc2cc(C(=O)N3CC[C@H](n4cnc5ccccc54)C3)[nH]c2c1 575615666 FIUWWDOUHZUAFH-HNNXBMFYSA-N 360.417 3.613 0 40 FHAB C[C@@H]1Cc2cc(CNCc3cc(-c4ccc(F)cc4)c[nH]c3=O)ccc2O1 12187376 MDDVRLORFDCGBB-CQSZACIVSA-N 364.420 3.794 0 40 FHAB CCCOc1ccc(C(=O)CCNc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 12411259 WJFIFBOQTFFYOM-CQSZACIVSA-N 368.433 3.880 0 40 FHAB O=C(c1ccccc1)C1CCN(C(=O)c2ccc3c(c2)OCCCO3)CC1 40030743 UCUKILKJNHLSHW-UHFFFAOYSA-N 365.429 3.583 0 40 FHAB CC(C)Oc1ccc(CCNC(=O)c2cncc(Br)c2)cc1 31293372 SQZUDEYQBXEETQ-UHFFFAOYSA-N 363.255 3.604 0 40 FHAB CCOc1ccc2c(c1)cc(C(=O)Nc1ccc(C(=O)OC)cc1)n2C 46007428 SVJNMIOOBGPCSE-UHFFFAOYSA-N 352.390 3.616 0 40 FHAB Cc1sc2ncnc(SCC(=O)N3CCc4ccccc43)c2c1C 781909 CCINBUSSGUQITL-UHFFFAOYSA-N 355.488 3.990 0 40 FHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@@H]1CC=CCC1 21355959 NOBKINBOOJBCMY-CYBMUJFWSA-N 354.372 3.849 0 40 FHAB Cc1cccc2sc(NC(=O)[C@H](C)NC(=O)OCc3ccccc3)nc12 32855841 IAPCEEGQTAHOJH-ZDUSSCGKSA-N 369.446 3.858 0 40 FHAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N(C)[C@H](C)c1ccc(F)cc1 32842985 GVBGXVDYAIGGPF-HUUCEWRRSA-N 358.413 3.660 0 40 FHAB Cc1ccc([C@H](NC(=O)N2CCOCC2)C(Cl)(Cl)Cl)cc1F 3177699 RBIHXGLRYVEHKM-LBPRGKRZSA-N 369.651 3.587 0 40 FHAB COc1ccc2oc(C(=O)OCC(=O)N3[C@H](C)CCC[C@H]3C)c(C)c2c1 4319248 VDRXHFLOECAHRR-CHWSQXEVSA-N 359.422 3.696 0 40 FHAB COc1ccc(Cl)cc1NC(=O)CNc1ccc2c(c1)OC(F)(F)O2 21700254 VMELTOZYVDGHEQ-UHFFFAOYSA-N 370.739 3.721 0 40 FHAB COc1ccccc1-c1nnc2sc(COc3ccccc3C)nn12 4664935 LMHNQLRCPICDKJ-UHFFFAOYSA-N 352.419 3.749 0 40 FHAB CCOC(=O)[C@H]1CCCN(C(=O)Cc2coc3ccc4ccccc4c23)C1 6844013 GOMATZMZWIHAHP-INIZCTEOSA-N 365.429 3.930 0 40 FHAB C[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc(Br)cc1 7645625 MCQHRXXCIWYQCT-NSHDSACASA-N 362.223 3.711 0 40 FHAB O=C(NCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 52818911 CFNZUAVRAIQRIJ-UHFFFAOYSA-N 357.624 3.902 0 40 FHAB O=C(CSc1ccc2c(c1)OCCO2)Nc1cccc(N2CCCC2)c1 47192481 CAAFKNGZAJPXML-UHFFFAOYSA-N 370.474 3.789 0 40 FHAB CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc3ccccc23)NC(=O)N1 716279 LHDOYNXHLKESGN-IBGZPJMESA-N 350.418 3.954 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1nccs1 104021557 SKTCNBRMKPUGHR-KBMXLJTQSA-N 369.490 3.866 0 40 FHAB CCN(C(=O)Cn1nnc(-c2ccccc2C)n1)c1cccc2ccccc12 9477483 AVHYYMFUMVLAAC-UHFFFAOYSA-N 371.444 3.855 0 40 FHAB O=C1C[C@H](c2ccc(Br)cc2)c2cc3c(cc2N1)OCCO3 816171 UZAUFXWUGAFFKH-GFCCVEGCSA-N 360.207 3.694 0 40 FHAB Cc1cc(C)n2ncc(C(=O)Nc3ncc(Cc4ccccc4)s3)c2n1 23043705 APMGRZMUMAYLOC-UHFFFAOYSA-N 363.446 3.646 0 40 FHAB Cc1ccc(C)c(N2CCN(CC(=O)Nc3cc(F)ccc3C)CC2)c1 57720251 XJHYILSMJKIKKW-UHFFFAOYSA-N 355.457 3.512 0 40 FHAB O=C(CCN1C(=O)CCC1=O)Nc1cc(Cl)ccc1Oc1ccccc1 51208698 LRIHPMWTUKFWFJ-UHFFFAOYSA-N 372.808 3.610 0 40 FHAB Cc1onc(-c2ccccc2)c1-c1nnc(CN(C)Cc2ccco2)o1 24209773 FHOQCZVSCIJDMO-UHFFFAOYSA-N 350.378 3.925 0 40 FHAB CCc1ccc(N2C[C@H](C(=O)NCc3ccc(Cl)cc3)CC2=O)cc1 59507082 MCADBUPMUJSOGU-MRXNPFEDSA-N 356.853 3.572 0 40 FHAB O=C(Nc1cccc2c1OCCO2)C1(c2ccccc2Cl)CCOCC1 107120807 SVOAMPLZLILURU-UHFFFAOYSA-N 373.836 3.798 0 40 FHAB Cc1cc(NC(=O)[C@@H](OC(=O)c2c(F)cccc2F)c2ccccc2)no1 8727304 IHZXXKRTWSPIHR-KRWDZBQOSA-N 372.327 3.798 0 40 FHAB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)N1CCCc2ccccc21 3263269 HJRHXTOCVWKORV-UHFFFAOYSA-N 373.836 3.550 0 40 FHAB CCOc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)cc2)cc1 1892671 ZPVVLUABZYNEGX-UHFFFAOYSA-N 358.463 3.704 0 40 FHAB O=S(=O)(Nc1cc2c(cc1Cl)OCO2)c1ccc(Cl)cc1F 12681136 TUDBWSAHSNWUQW-UHFFFAOYSA-N 364.181 3.662 0 40 FHAB CCCNC(=O)[C@@H](C)NC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 57742027 XFZVVYXSRXNMPU-UIHBLGAPSA-N 368.521 3.556 0 40 FHAB CCN(CC)[C@H](CNC(=O)c1c(F)cc(F)cc1F)c1ccsc1 76022567 NPLZGUPCXVGEOY-OAHLLOKOSA-N 356.413 3.978 0 40 FHAB O=C(Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1)c1ccoc1 27596162 KOASMOWTVMRXMZ-UHFFFAOYSA-N 350.330 3.513 0 40 FHAB CC(C)C[C@@H](C(=O)NC1CCCCCCC1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 103008522 ATHKDBDBTGEMFW-OTWHNJEPSA-N 374.525 3.581 0 40 FHAB Cc1ccccc1[C@H]1CCCN1C(=O)C[C@H](NC(N)=O)c1cccs1 58264389 QJJVSOGOIBTZMS-JKSUJKDBSA-N 357.479 3.520 0 40 FHAB Fc1cccc(-n2ccc(CSc3nnc(-c4cccnc4)o3)n2)c1 58227578 BVJQTBCDRPYICA-UHFFFAOYSA-N 353.382 3.749 0 40 FHAB COC(=O)c1ccc(OC(C)C)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 58203301 JRLXOIQSNXKOEF-UHFFFAOYSA-N 372.421 3.660 0 40 FHAB CC(=O)c1ccc(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)cc1 27754567 UWHUZSVIYDOBSH-UHFFFAOYSA-N 366.295 3.698 0 40 FHAB Cn1cc([C@H]2C[C@H]2C(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)cn1 60247392 WBFYWETYWZVFAD-CHWSQXEVSA-N 352.265 3.882 0 40 FHAB O=C(CCc1nc2ccccc2s1)N1CCO[C@H](c2ccccc2)C1 27900626 PXINUPXLNRBDQK-KRWDZBQOSA-N 352.459 3.829 0 40 FHAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1 10532312 ABIHIFYLODDWHE-AWEZNQCLSA-N 360.841 3.583 0 40 FHAB CCCCn1c(C)nc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O 2319868 CYDZDGYUORYOKK-UHFFFAOYSA-N 357.479 3.966 0 40 FHAB O=C(CCNC(=O)c1ccccc1)Nc1ccc(Cl)c2cccnc12 12779995 VDMWZQPVKRAAIO-UHFFFAOYSA-N 353.809 3.647 0 40 FHAB Cn1c(=O)c2ccccc2n2c(CNc3ccc(Cl)c(Cl)c3)nnc12 11549265 PLQYRIUSGIDPAL-UHFFFAOYSA-N 374.231 3.500 0 40 FHAB Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=O)c1cccs1 12855072 CVZUAQUIAQZGEO-UHFFFAOYSA-N 355.448 3.783 0 40 FHAB CC(C)C(=O)Nc1cccc(CNC(=O)COc2ccc(Cl)cc2)c1 12933068 SVYSEEIRYATVBA-UHFFFAOYSA-N 360.841 3.630 0 40 FHAB CCn1c(SCC(=O)Nc2ncccc2C)nnc1-c1cccc(C)c1 73152047 ZMRLUXQQYMMZCF-UHFFFAOYSA-N 367.478 3.708 0 40 FHAB C[C@@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(F)c(F)c1F 5018863 YBMHHUOUQFPGIK-SECBINFHSA-N 369.364 3.994 0 40 FHAB CC[C@@H](O)CNc1ncnc2c1sc1nc(C)c3c(c12)CC(C)(C)OC3 5163253 BDOMBFKGXDERAK-LLVKDONJSA-N 372.494 3.582 0 40 FHAB CC(=O)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@H](c1ccccc1)N2 5149682 JBUSEZCASRHPEY-SJORKVTESA-N 351.385 3.522 0 40 FHAB COc1ccc(Cl)c(N2C[C@H](c3nc4ccccc4n3C)CC2=O)c1 5235932 KNKBFYDSHBHTNX-GFCCVEGCSA-N 355.825 3.756 0 40 FHAB COc1cc(Br)c(CC(=O)NCC2CCCCC2)cc1OC 14094486 DDTCSPJMKZWFFI-UHFFFAOYSA-N 370.287 3.705 0 40 FHAB COc1ccccc1C1=Nn2c(nnc2-c2ccc(Cl)cc2)SC1 6566384 MGFDXGDGDVRNEX-UHFFFAOYSA-N 356.838 3.965 0 40 FHAB COC(=O)c1c(NC(=O)NCCC(C)C)sc2c1CC(C)(C)OC2 6662451 WVFLBAHZIGOBLB-UHFFFAOYSA-N 354.472 3.554 0 40 FHAB CCC(=O)N1c2ncnn2[C@H](c2ccc(OC)cc2)C[C@@H]1c1ccccc1 4816725 UEEUOSYDHGGHLW-MOPGFXCFSA-N 362.433 3.764 0 40 FHAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(Br)o1 5948131 QLWSWLCMZOQMSN-UHFFFAOYSA-N 350.197 3.813 0 40 FHAB Cc1ccc(C(=O)CCC(=O)NCc2ccccc2CN(C)C)cc1C 7065784 ZNZFDRFRZLNYRR-UHFFFAOYSA-N 352.478 3.644 0 40 FHAB C[C@H](Sc1nnc(-c2ccccc2F)n1C)C(=O)N1CCCCCC1 7173178 KXUIVDPYAWILII-ZDUSSCGKSA-N 362.474 3.504 0 40 FHAB C[C@H](Nc1ccc(SC(F)F)cc1)C(=O)Nc1ccc(C(N)=O)cc1 7221459 WOOHCPIXEGEUEX-JTQLQIEISA-N 365.405 3.539 0 40 FHAB COc1ccc(Cn2cnc3c(sc4nc(C)cc(C)c43)c2=O)cc1F 7256048 YPELGYJVQBTZFF-UHFFFAOYSA-N 369.421 3.819 0 40 FHAB COc1ccc(C)cc1NC(=O)CNC(=O)c1ccc(Cl)cc1Cl 15614538 HHALHJIGOKFKNF-UHFFFAOYSA-N 367.232 3.679 0 40 FHAB C[C@H](NS(=O)(=O)c1ccc(Cl)nc1)C12CC3CC(CC(C3)C1)C2 16093371 VCXBYXGNJSMJEF-GVMDUPDNSA-N 354.903 3.618 0 40 FHAB CC(=O)N[C@H](C(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1)C(C)C 7756489 XJGSRNUUDWOHIQ-KRWDZBQOSA-N 359.495 3.835 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)CN(C)C[C@@H]1COc2ccccc2O1 16628918 BDQPIJBBQVTHKG-QGZVFWFLSA-N 368.477 3.829 0 40 FHAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1ccccc1F 8246496 ARNUABSLFIBWGU-UHFFFAOYSA-N 357.816 3.962 0 40 FHAB O=C(Nc1nnc(-c2cccc(Br)c2)o1)c1ccc(F)cc1 8394691 SIRUSEFDYYHMSW-UHFFFAOYSA-N 362.158 3.891 0 40 FHAB Cc1cc(Nc2ccccn2)nc([C@@H]2CCN(C(=O)c3ccccc3)C2)n1 72382435 WETZQEYQZYSGRC-QGZVFWFLSA-N 359.433 3.553 0 40 FHAB CCCCNC(=O)COc1ccccc1-c1nc(-c2ccccc2)no1 21524606 WKLRDZVRNPEYBB-UHFFFAOYSA-N 351.406 3.699 0 40 FHAB Cc1cccc(NC(=O)[C@@H]2CC(=O)Oc3c2c(C)nn3-c2ccccc2)c1 8559685 BNXPFMVERASCRT-QGZVFWFLSA-N 361.401 3.521 0 40 FHAB Cc1cc(CN(C)C(=O)c2cccc(NC(=O)C3CCCCC3)c2)no1 25138944 POLNOHPYUOAQPP-UHFFFAOYSA-N 355.438 3.774 0 40 FHAB COc1cc(CNC(=O)c2csc3c2CCCC3)cc(OC)c1OC 9478238 HHRURWFHKWHQQJ-UHFFFAOYSA-N 361.463 3.583 0 40 FHAB CCOc1ccccc1CCC(=O)Nc1ccc2oc(N(C)C)nc2c1 84810984 CYXMPOXLOVXKFJ-UHFFFAOYSA-N 353.422 3.864 0 40 FHAB CCN(CC(C)(C)O)C(=O)Nc1cccc(CSc2ccccn2)c1 75104808 HDXHOIXHOWIRMX-UHFFFAOYSA-N 359.495 3.999 0 40 FHAB CCOc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)c(C)cc1OC 409086358 QMZHRQJXJKQWPL-WJDWOHSUSA-N 358.438 3.628 0 40 FHAB COc1cc(CNc2ccc(C)cc2)cc(I)c1O 409120318 WGLPFOIACGFXGR-UHFFFAOYSA-N 369.202 3.926 0 40 FHAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2ccco2)cc1 408674984 FPHPMAAPIJUTEL-UHFFFAOYSA-N 374.396 3.707 0 40 FHAB O=C(Nc1ccccc1)c1cccc(Cn2cnc3sccc3c2=O)c1 48364420 BOAODMXLYBGSPO-UHFFFAOYSA-N 361.426 3.759 0 40 FHAB O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2CN(Cc3ccoc3)C[C@@H]21 306130689 JNAYRQDIYAATRT-MJGOQNOKSA-N 371.483 3.763 0 40 FHAB O=C1S/C(=C\c2ccccc2N2CCOCC2)C(=O)N1c1ccccc1 408903473 YISXMBFRFYXELT-JXAWBTAJSA-N 366.442 3.764 0 40 FHAB COc1ccccc1[C@H](CNC(=O)[C@H]1CCCC12CC2)N1CCCCC1 528069310 UNDWWUAHSDLSFZ-MOPGFXCFSA-N 356.510 3.919 0 40 FHAB CCc1ccc(C2=NN(C(=O)c3ccccc3)[C@](O)(C(F)(F)F)C2)cc1 409100416 VVZZESNDPNQOMW-GOSISDBHSA-N 362.351 3.750 0 40 FHAB O=S(=O)(Cc1ccccc1F)Nc1ccc(Cc2ccncc2)cc1 186626268 DDBOSSVORNQAGS-UHFFFAOYSA-N 356.422 3.753 0 40 FHAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 33666469 PDUNUEWJEZJBKN-UHFFFAOYSA-N 354.815 3.709 0 40 FHAB COc1ccc(OCCn2c(CN3CCCC3)nc3ccccc32)cc1 76555518 LRVNNBUXHAHSEN-UHFFFAOYSA-N 351.450 3.720 0 40 FHAB CCOc1ccc(C(=O)NCCc2ccc(OC)cc2)cc1COC(C)C 224714057 GFPXTIYUBXKWTH-UHFFFAOYSA-N 371.477 3.991 0 40 FHAB CN(c1ccc(Cl)c(C(=O)Nc2ccccc2Cl)c1)S(C)(=O)=O 222488694 KKCHEAZVQTVXBD-UHFFFAOYSA-N 373.261 3.642 0 40 FHAB CN(C)c1nc(N2CCCC2)ncc1NC(=O)c1ccc2ccccc2c1 224352107 LMXXUIVVRHHRII-UHFFFAOYSA-N 361.449 3.548 0 40 FHAB CC(C)c1ccc(OCCOC[C@@H](O)CN[C@H](C)c2ccccc2)cc1 40373376 JNKGYBZKGHMWNG-NQIIRXRSSA-N 357.494 3.917 0 40 FHAB Cc1ccc(OCCNS(=O)(=O)c2ccc3ccccc3c2)cc1C 223986388 UWYXGADYYZYABT-UHFFFAOYSA-N 355.459 3.814 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 223686125 BIBNYCURWMOOOE-INIZCTEOSA-N 372.896 3.826 0 40 FHAB Cc1ccc(C(=O)N2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)c(C)c1 98211684 PUUGKMOSENRTBS-UHFFFAOYSA-N 360.461 3.656 0 40 FHAB COC[C@@H]1CCC2(CCN(C(=O)c3cc4ccccc4s3)CC2)N1C 96208271 WBYSCFCGFCQILS-INIZCTEOSA-N 358.507 3.617 0 40 FHAB CC(C)C[C@H](NC(=O)c1cccc2c1ccn2C)c1nnc2ccccn12 96116976 SIWCCQZVKBLSAJ-KRWDZBQOSA-N 361.449 3.738 0 40 FHAB Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCCN2Cc2scnc2C)n1 257238514 HLJJBBJQRPIITM-INIZCTEOSA-N 354.483 3.667 0 40 FHAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(C(=O)c4ccncc4)[C@@H]3C[C@H]21 257224554 FCGQMBOHXTWTOF-LFGUQSLTSA-N 364.445 3.614 0 40 FHAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(OC)ccc4O)OCC[C@@]31C2 257315370 VBAWJHOBAOTJRJ-NTQHEYMJSA-N 373.493 3.809 0 40 FHAB CO[C@]1(CNC(=O)C2c3ccccc3Oc3ccccc32)CCSC1 96097629 YXWIFFRFHYYBSC-FQEVSTJZSA-N 355.459 3.563 0 40 FHAB O=C(NCC[C@H](O)c1cc2ccccc2o1)c1ccc(Br)o1 96097246 ZOISXXNKUDSJBZ-NSHDSACASA-N 364.195 3.642 0 40 FHAB C=CC(=O)Nc1ccc(C(=O)N2CCc3ccc(F)cc3[C@@H](C)C2)cc1 1644170713 HJFGRAWDFUFVJX-AWEZNQCLSA-N 352.409 3.752 0 40 FHAB Cc1noc2ncnc(N3CCC[C@@H]3c3nc4ccc(Cl)cc4[nH]3)c12 669654199 GWZOOUJENDGBMK-CYBMUJFWSA-N 354.801 3.797 0 40 FHAB O=C(/C=C/c1ccoc1)Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2 96103666 QAKXGWUMMCXINL-PFWMLDTASA-N 366.417 3.709 0 40 FHAB CN(Cc1cccc(OCCN2CCCCC2)c1)C[C@H](O)c1ccccc1 585274419 WFMXKHSGWHAWSJ-QHCPKHFHSA-N 368.521 3.717 0 40 FHAB COc1cc2c(N[C@H](C)c3ccc4nc(O)[nH]c4c3)ncnc2cc1F 681376199 FLKHVVJQYYWVFC-SECBINFHSA-N 353.357 3.533 0 40 FHAB Cc1cccc2c(=O)n(CCC(=O)N3CCC[C@H]3C3CCCCC3)cnc12 55599957 BTCLRICCXSNEBD-IBGZPJMESA-N 367.493 3.666 0 40 FHAB Cc1cccc(Cn2nccc2NC(=O)c2cc(Cl)c3c(c2)OCO3)c1 62580492 CMPSDSUEAZOOSR-UHFFFAOYSA-N 369.808 3.874 0 40 FHAB COC(=O)[C@@]12CCC[C@H]1CN(C(=O)c1sccc1-c1ccccc1)C2 96007866 XMXZTRGLBGASOQ-MGPUTAFESA-N 355.459 3.830 0 40 FHAB CCCOc1cc2c(cc1CN1[C@H]3CC[C@@H]1c1cccnc1C3)OCO2 12222102 XTBLWILFXPGAGI-MAUKXSAKSA-N 352.434 3.861 0 40 FHAB Cc1cc(C)c2ccc(NC(=O)c3c(-c4ccncc4)noc3C)nc2n1 12223029 TUZTXVSFRFNVOO-UHFFFAOYSA-N 359.389 3.857 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 14139306 XMAVDZUTEIJNJS-OLZOCXBDSA-N 372.490 3.686 0 40 FHAB Cc1ccc(OCCCC(=O)Nc2ccccc2C(=O)NC(C)C)cc1 14396299 PYUDYXSDBGARGQ-UHFFFAOYSA-N 354.450 3.931 0 40 FHAB COc1ccccc1NC(=O)CN(C)Cc1ccccc1N1CCCCC1 15103727 NZJIQHHLZFNIHU-UHFFFAOYSA-N 367.493 3.756 0 40 FHAB O=C(Nc1ccccc1C[C@@H](O)c1ccc2c(c1)OCO2)c1ccccc1 16929275 FZYRHYTWTVWARG-LJQANCHMSA-N 361.397 3.944 0 40 FHAB Cc1csc([C@H](Cc2ccsc2)NC(=O)CCc2cccnc2)n1 19240170 WEQJMMGDSWXDKW-INIZCTEOSA-N 357.504 3.941 0 40 FHAB O=c1cc([C@@H]2CCCCN2Cc2ccccc2F)nc(-c2ccncc2)[nH]1 19349096 UCXFAYZYHZYCSL-IBGZPJMESA-N 364.424 3.698 0 40 FHAB Cc1ncc(-c2ccccn2)c([C@H]2CCN(C(=O)c3ccccc3F)C2)n1 19286897 PXLUWVMEQQMNML-HNNXBMFYSA-N 362.408 3.616 0 40 FHAB CN(C(=O)C1CCCCC1)C1CCC2(CC1)CNCc1ccccc1O2 19586706 UCEBQJNXEAXWPR-UHFFFAOYSA-N 356.510 3.889 0 40 FHAB CCc1ccc([C@]2(O)CN(c3ccccc3OC)C3=[N+]2CCCC3)cc1 2966226 JQNONFBIMJBOPM-JOCHJYFZSA-N 351.470 3.518 0 40 FHAB CCn1cc(S(=O)(=O)c2ccc(F)cc2)c(=O)c2cc(Cl)ccc21 4193373 BRJDIDOIUTVWOH-UHFFFAOYSA-N 365.813 3.647 0 40 FHAB COc1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)ccc1F 6667895 SEBFCYUEIIPDRD-UHFFFAOYSA-N 350.198 3.942 0 40 FHAB Cc1cc(C)c(NC(=O)CN2C(=O)c3cccc4cccc(c34)C2=O)c(C)c1 10233268 ZEHOVXTZMASIPR-UHFFFAOYSA-N 372.424 4.000 0 40 FHAB COc1ccc(-c2cc(CC(=O)Nc3ccc(F)c(F)c3)no2)cc1OC 12868165 VLWFFTPSKPVRJF-UHFFFAOYSA-N 374.343 3.818 0 40 FHAB Cc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2CCC[C@@H](C)C2)cc1 23156842 XARUODAQLZYQDO-CJNGLKHVSA-N 356.495 3.935 0 40 FHAB CCc1nccn1CC1CN(C(=O)C2c3ccccc3Oc3ccccc32)C1 1890394580 DLGUQQITFDTASW-UHFFFAOYSA-N 373.456 3.842 0 40 FHAB O=C(Cc1ccc(F)cc1)NCc1ccc([C@@H](O)c2ccccc2)s1 207969290 SUWBWNPMSZMIKO-FQEVSTJZSA-N 355.434 3.828 0 40 FHAB O=C(CSCc1ccccc1)N1CC[C@@H](n2cnc3ccccc32)C1 575615324 CYXJDZLWZJRHTC-QGZVFWFLSA-N 351.475 3.743 0 40 FHAB O=C(O)c1ccccc1NC(=S)NC(=O)c1cccc(Cl)c1Cl 6615602 FBCNEUWZHOXREP-UHFFFAOYSA-N 369.229 3.818 0 40 FHAB COC(=O)c1ccc(NC(=O)Cc2cc(-c3ccc(C)cc3)on2)cc1 12422151 KTUUXDAODVWADZ-UHFFFAOYSA-N 350.374 3.618 0 40 FHAB Cc1c(C(=O)Nc2cccnc2)cnn1-c1ccc(Br)cc1 24430463 BIWROXOGLSWVJN-UHFFFAOYSA-N 357.211 3.591 0 40 FHAB COC(=O)c1ccc(F)c(NCC(=O)N[C@@H](C)c2cc3ccccc3o2)c1 40057117 SFWPMGMBGPLHTP-LBPRGKRZSA-N 370.380 3.648 0 40 FHAB C[C@@H]1CCCN(CCNC(=O)COc2ccc3oc4ccccc4c3c2)C1 40110343 ZCKKCXSLJYWNNT-MRXNPFEDSA-N 366.461 3.813 0 40 FHAB CCN(C(C)=O)c1nc(CN(C)[C@H](C)c2cc(F)ccc2F)cs1 40153635 LKLKNHHYCUQGJR-LLVKDONJSA-N 353.438 3.987 0 40 FHAB O=C(c1csc(NCc2ccccc2Cl)n1)N1CCSCC1 40284635 PNFFQGYWCWQTRS-UHFFFAOYSA-N 353.900 3.598 0 40 FHAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N(C)Cc3cccs3)c12 31528175 QLXABYOVVPZXEN-UHFFFAOYSA-N 366.446 3.870 0 40 FHAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nnc(Nc3ccccc3)s2)C1 2625981 ATDQTWOIFPBXBU-CHWSQXEVSA-N 362.524 3.878 0 40 FHAB CCC[C@H](NC(=O)N[C@H](C)Cn1cncn1)c1ccc(Cl)c(Cl)c1 102009820 VEYWOYLXVXWKCK-ABAIWWIYSA-N 370.284 3.814 0 40 FHAB CCn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nnc1-c1ccc(O)cc1 897430 BTCOIHYCNISTQE-ZIAGYGMSSA-N 374.510 3.552 0 40 FHAB Cc1nn(C[C@H](C)C(=O)Nc2cccc(F)c2)c(C)c1Br 2795280 PQZPLTQQEJADFB-VIFPVBQESA-N 354.223 3.676 0 40 FHAB CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccc(F)cc4)cc1c32 2233076 QWGQXWJRROSJPB-UHFFFAOYSA-N 365.360 3.770 0 40 FHAB Cc1ccc(F)c(NC(=S)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 84146101 CFOGSHAPFXYKDZ-GFCCVEGCSA-N 366.483 3.585 0 40 FHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1(c2ccccc2)CCC1 52610555 MIECOYHKCHHGJO-QGZVFWFLSA-N 360.461 3.909 0 40 FHAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC(c2nc3ccccc3o2)CC1 32967058 HHJXLSBLFBYCID-CMDGGOBGSA-N 364.449 3.598 0 40 FHAB CC[C@@H]1CCCCN1C(=O)[C@H](C)S(=O)(=O)Cc1cccc2ccccc12 32929919 PWZSHMMSHRNTNX-QFBILLFUSA-N 373.518 3.934 0 40 FHAB CSc1nc2ccc(NC(=O)c3ccc4c(c3)CC(=O)N4)cc2s1 71800249 CBAADCYABCSQSN-UHFFFAOYSA-N 355.444 3.765 0 40 FHAB O=C(CSc1nnc(COc2ccccc2)[nH]1)Nc1ccccc1Cl 6496017 UMHYVMLZVRHIET-UHFFFAOYSA-N 374.853 3.768 0 40 FHAB O=C(COCc1cc(-c2ccco2)on1)Nc1ccc(F)c(Cl)c1 6876632 QMGWOLDABBATTE-UHFFFAOYSA-N 350.733 3.882 0 40 FHAB C[C@@H](Sc1nncs1)C(=O)NC(c1ccccc1)c1ccccc1 7194799 ABGBLJDRDYUZEX-CYBMUJFWSA-N 355.488 3.925 0 40 FHAB CCOc1cc(C(=O)O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 7604101 RCRYLBLTAHLRJD-UHFFFAOYSA-N 350.754 3.714 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 7928111 SZFUYFNZYBAWSL-OAHLLOKOSA-N 370.836 3.843 0 40 FHAB CCC[C@H](C)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 667193 ZIAZYURDKOVDQR-XOBRGWDASA-N 372.490 3.972 0 40 FHAB COc1ccc2c(Cl)c(C(=O)Nc3ccc(C(N)=O)cc3)sc2c1 675041 HOPNYIJVUVHJSE-UHFFFAOYSA-N 360.822 3.915 0 40 FHAB CCOc1ccc(NC(=O)[C@H](C)[C@@H](Cc2ccc(C)cc2)C(=O)O)cc1 864901 DIKJOESZCPAOQZ-DNVCBOLYSA-N 355.434 3.912 0 40 FHAB O=C(/C=C/c1cccc(Cl)c1)N1CCC[C@H](c2nnc3ccccn23)C1 12388843 VGRJQFZXHNECBY-SCOAYWHSSA-N 366.852 3.802 0 40 FHAB CCn1nc(C(=O)N2CCC[C@@H]2CC2CCCCC2)c2ccccc2c1=O 61570714 DVQHMOAVSVODTE-QGZVFWFLSA-N 367.493 3.991 0 40 FHAB CN(CC(=O)Nc1cc(C(C)(C)C)no1)Cc1c(F)cccc1Cl 24213344 IICLWAWTPOHSPA-UHFFFAOYSA-N 353.825 3.835 0 40 FHAB CC(C)c1cc(C(C)C)c(S(=O)(=O)NCCN(C)C)c(C(C)C)c1 1288526 YYXKCROKJURGHD-UHFFFAOYSA-N 354.560 3.897 0 40 FHAB O=C1c2ccccc2S(=O)(=O)N1Cc1sc2ccccc2c1Cl 24958487 RSNBROUKUNNFDC-UHFFFAOYSA-N 363.847 3.899 0 40 FHAB Cc1cc(S[C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)ncn1 1469977 KFCGZEDPBYFMMD-SNVBAGLBSA-N 356.706 3.736 0 40 FHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)OCc1cc(=O)n2c(n1)sc1ccccc12 107549320 KKDYBYKVKRJTCI-IHRRRGAJSA-N 368.458 3.779 0 40 FHAB CSc1ccccc1NC(=O)[C@@H](C)N1CCN(c2ccccc2F)CC1 57024351 GWXKNCDAWFAOSS-OAHLLOKOSA-N 373.497 3.697 0 40 FHAB COc1ccc(NC(=O)N(C)Cc2cccc(Cl)c2)cc1NC(C)=O 44036137 CSUBAUAWWZNNKG-UHFFFAOYSA-N 361.829 3.971 0 40 FHAB CN(c1ccc(O)cc1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 3250238 GXWPHUVBNDSGFF-UHFFFAOYSA-N 365.760 3.890 0 40 FHAB C[C@H](NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C)c1ccccc1Cl 58048050 QYCYAQCWQJSZGX-KBPBESRZSA-N 371.868 3.755 0 40 FHAB Cc1cc(NC(=O)Cc2cn(C)c3ccccc23)n(-c2ccc(F)cc2)n1 58162911 WONWJFJDCWRBHL-UHFFFAOYSA-N 362.408 3.993 0 40 FHAB COC1CCC(C(=O)N2[C@@H]3CC[C@H](C3)[C@@H]2COc2ccc(F)cc2)CC1 100113223 POGHJNLVWXXZDE-FGXGKIEJSA-N 361.457 3.789 0 40 FHAB C[C@H](NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 3318760 PGHWYHOGWDHQAR-LBPRGKRZSA-N 351.324 3.740 0 40 FHAB COC(=O)c1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1 2284824 BINICBNYAMHFFK-UHFFFAOYSA-N 369.808 3.873 0 40 FHAB Cc1cccc(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c1 22273753 LWZMKZJZGFKRPP-UHFFFAOYSA-N 368.458 3.553 0 40 FHAB COc1ccc2c(CCNC(=O)COc3ccc(Cl)cc3)c[nH]c2c1 2206320 GMYDNOGKEGPOMK-UHFFFAOYSA-N 358.825 3.568 0 40 FHAB biogenic C[C@@H](NCc1ccc(OCC(N)=O)cc1)c1ccc(Cl)c(Cl)c1 28305018 JJLDTVHRWIZORM-LLVKDONJSA-N 353.249 3.708 0 40 FHAB COc1ccc(CN2C[C@H](C(=O)Nc3ccc4ccccc4c3)CC2=O)cc1 28404142 IELMVDYSEQCZOM-LJQANCHMSA-N 374.440 3.836 0 40 FHAB CC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1Cl 10945953 SZXJVNRJFHZRJI-SECBINFHSA-N 367.236 3.786 0 40 FHAB Cc1c([C@H](C)NC(=O)c2cc(C3CC3)nc3onc(C4CC4)c23)cnn1C 36617406 KIEVADDIUSXPMU-JTQLQIEISA-N 365.437 3.511 0 40 FHAB CC(C)CC(=O)NCc1nnc2c3ccccc3c(-c3ccccc3)nn12 2442876 JXEQPBDUIGEDJJ-UHFFFAOYSA-N 359.433 3.607 0 40 FHAB COC(=O)[C@H](CCSC)NC(=O)Nc1ccc(Oc2ccccc2)cc1 2431820 YYQPAKBSJDEBDL-KRWDZBQOSA-N 374.462 3.895 0 40 FHAB O=C(Nc1ncc2c(n1)C[C@H](c1ccco1)CC2=O)c1ccccc1Cl 2429451 TYSSQINMLWRMOZ-NSHDSACASA-N 367.792 3.888 0 40 FHAB CCCCN(CC)C(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(C)cc23)C1 12866614 XUCCXXWYHTWPOP-GOSISDBHSA-N 369.509 3.516 0 40 FHAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)OCC(=O)NC3CC3)c2c1 3473735 WEEUUGWCFUVEJL-UHFFFAOYSA-N 360.413 3.646 0 40 FHAB Cc1sc(NC(=O)c2ccc(S(C)(=O)=O)cc2)nc1-c1ccccc1 8775815 KOCQPFIYGNMYTN-UHFFFAOYSA-N 372.471 3.774 0 40 FHAB CCCC(=O)Nc1ccc(C(=O)CSc2nnc(CSC)o2)cc1 12938041 KIFJDYOKFSFWHN-UHFFFAOYSA-N 365.480 3.646 0 40 FHAB c1csc(-c2noc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)c1 12915648 BJDJAODAGXGTDA-AWEZNQCLSA-N 369.446 3.906 0 40 FHAB O=S(=O)(c1cccc(F)c1)N1CCC[C@@H]1c1nc2ccccc2s1 12983709 QQNIZLJGBWPDPN-OAHLLOKOSA-N 362.451 3.961 0 40 FHAB COc1ccccc1NC(=O)[C@H](C)n1c(-c2cccs2)n[nH]c1=S 64334289 GXMYJUHAIDAIHJ-JTQLQIEISA-N 360.464 3.877 0 40 FHAB CCOc1ccccc1/C=C/C(=O)OCC(=O)Nc1ccccc1OCC 6010514 XVVYJGZNAMBTBI-BUHFOSPRSA-N 369.417 3.679 0 40 FHAB Cc1ccc2cc(CN(Cc3ccco3)C(=O)c3ccco3)c(=O)[nH]c2c1 13816873 NNEJBARFZJRWMO-UHFFFAOYSA-N 362.385 3.865 0 40 FHAB C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)Nc1ccccc1 14017409 IAPHODFGXRMQIS-CYBMUJFWSA-N 365.462 3.794 0 40 FHAB Cc1ccc(C(=O)OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1 6426634 HKOYNBAGOQDKCG-SFHVURJKSA-N 355.434 3.632 0 40 FHAB Cc1ccsc1CN(C)CCC(=O)Nc1ccc(N2CCCC2=O)cc1 14136427 KLPGVVULAQIUIQ-UHFFFAOYSA-N 371.506 3.644 0 40 FHAB COc1cccc(-c2cnc(NCc3ccc(OC)cc3OC)n2C)c1 4678585 JOOFEYQLHGKKNK-UHFFFAOYSA-N 353.422 3.725 0 40 FHAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc(Br)cc1F 5687555 BZMPUPUSNBGKKC-LLVKDONJSA-N 363.230 3.978 0 40 FHAB Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccc(C(N)=O)cc2)cc1 14830409 ZZDSMBLGIDUOTH-UHFFFAOYSA-N 365.458 3.707 0 40 FHAB CCS(=O)(=O)c1ccc2oc(SCc3cn4ccccc4n3)nc2c1 4864595 UGNPNUNSHSWMKZ-UHFFFAOYSA-N 373.459 3.561 0 40 FHAB C[C@H](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccc(F)c(F)c1 14900076 OOLZNCXDIDPJPZ-SWLSCSKDSA-N 358.388 3.733 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)Sc2nccn2-c2ccc(Cl)cc2)no1 7176847 QREGFPCCLUHLII-LLVKDONJSA-N 362.842 3.941 0 40 FHAB CNc1nc(C)cc(N2CCC[C@H](c3[nH]ncc3-c3ccc(F)cc3)C2)n1 67741284 CEMCNNQIWQWNGX-HNNXBMFYSA-N 366.444 3.740 0 40 FHAB COc1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1OC(F)F 96635047 JXSLLPGHPHJFQL-MDWZMJQESA-N 363.291 3.780 0 40 FHAB O=C(Cn1c(NCc2ccccc2)nc2ccccc21)NCc1ccco1 7989847 WWJYXTLTROCMGH-UHFFFAOYSA-N 360.417 3.558 0 40 FHAB Cc1nc(Sc2nnc(C(F)(F)F)n2C)c2c3c(sc2n1)CCC3 7983886 UZTFRESZAZZVAS-UHFFFAOYSA-N 371.413 3.787 0 40 FHAB COc1ccc(CNC(=O)c2cc(Br)ccc2F)cc1OC 8111275 UAHIXZRUNOVWDG-UHFFFAOYSA-N 368.202 3.535 0 40 FHAB CC(C)=CC(=O)OCc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 16751336 XWICWKLLYNHMOO-UHFFFAOYSA-N 352.365 3.534 0 40 FHAB COc1ccc(-c2noc(COc3ccc(C(C)=O)cc3)n2)c(OC)c1 8287645 FJDQVSVKWDXOFN-UHFFFAOYSA-N 354.362 3.535 0 40 FHAB O=C(NCc1cnn(Cc2ccccc2)c1)c1cc2ccccc2cc1O 69350305 NHQQHGZYJPZVMN-UHFFFAOYSA-N 357.413 3.720 0 40 FHAB Cc1ccc(-c2[nH]ncc2C(=O)N2CCN(c3cccc(C)c3)CC2)cc1 71768883 YLVJPBVQOURICS-UHFFFAOYSA-N 360.461 3.656 0 40 FHAB O=c1c2ccccc2nc2sc(-c3ccc(Br)cc3)nn12 17073886 CXJCTYOYVWTHNM-UHFFFAOYSA-N 358.220 3.734 0 40 FHAB CCOc1cccc2c1OCC(C(=O)Nc1nc(-c3ccc[nH]3)cs1)=C2 69493589 PQGCRJMNJYFKFJ-UHFFFAOYSA-N 367.430 3.951 0 40 FHAB CC(C)(C)c1ccc2oc(NC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)nc2c1 72311644 MCRYYLJWQDHPFB-CQSZACIVSA-N 369.465 3.712 0 40 FHAB O=C(O)c1ccc(-n2ncc3c2N=C(O)CS[C@@H]3c2ccccc2)cc1 95475681 CKDAXPCMRQWJHP-QGZVFWFLSA-N 365.414 3.995 0 40 FHAB Cn1cc(NC(=O)c2cc(F)ccc2Br)c(C(F)(F)F)n1 89749801 DPTAHZYFZJLKGI-UHFFFAOYSA-N 366.112 3.593 0 40 FHAB Cc1ccccc1C(=O)N[C@H](C(=O)OCc1ccc(Cl)nc1)C(C)C 25946259 MGEWARNIGORBAQ-KRWDZBQOSA-N 360.841 3.541 0 40 FHAB CCCn1c(NC(=O)Cn2nc(C(F)(F)F)cc2C)nc2ccccc21 28235550 ASGKACIOQFSXAC-UHFFFAOYSA-N 365.359 3.609 0 40 FHAB Cc1c(CNS(=O)(=O)c2cccc(Cl)c2O)oc2ccccc12 1561256162 NWKZNSYKSZGOHB-UHFFFAOYSA-N 351.811 3.579 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)c(C)c1 408582898 FTMXKJVMJLESAN-UHFFFAOYSA-N 374.506 3.798 0 40 FHAB C[C@@H](C(=O)N[C@@H]1CCc2cc(Cl)ccc21)N1CCc2ccccc2C1 521915601 BZSJNSFZJYSRDG-VBKZILBWSA-N 354.881 3.890 0 40 FHAB CCN(C)c1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72212755 WLKLOTSUTGXEEV-LJQANCHMSA-N 373.522 3.762 0 40 FHAB CCCN1CCN(CC2CC2)[C@H](Cc2ccccc2-c2cccnc2)C1=O 72351565 MCIJGXBZQIAJGY-JOCHJYFZSA-N 363.505 3.624 0 40 FHAB COc1ccc(/C=C/C(N)=O)cc1OCc1cccc(Br)c1 216901153 FUHJGIOBKGEXTB-SOFGYWHQSA-N 362.223 3.535 0 40 FHAB Cc1ccc(-n2ccnc(SCC(=O)c3ccccc3)c2=O)cc1C 7615783 ZMZRWAOFNGGNRY-UHFFFAOYSA-N 350.443 3.824 0 40 FHAB Cc1cccc(NC(=S)N2CCC(NC(=O)c3ccccc3)CC2)c1 35288972 QYSVUQWIOMFNRF-UHFFFAOYSA-N 353.491 3.586 0 40 FHAB O=C(NCc1ccc(Cn2ccnc2)cc1)c1sccc1-n1cccc1 30563870 VBGLQINTYMUSSB-UHFFFAOYSA-N 362.458 3.714 0 40 FHAB Cc1nc(Nc2nccs2)cc([C@H]2CCCN2Cc2cccnc2)n1 72360208 OJMQCZITZOTSLT-MRXNPFEDSA-N 352.467 3.717 0 40 FHAB CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2F)cc1 223429486 XWPJOUMAPXOWAS-UHFFFAOYSA-N 365.426 3.756 0 40 FHAB COC(=O)c1c(NCc2ccccc2OC)c2cccc(Cl)c2[nH]c1=O 49001593 JVRHRJYJFAREOI-UHFFFAOYSA-N 372.808 3.589 0 40 FHAB COC(=O)c1cccc(NC(=S)NC2(c3ccccn3)CCCC2)c1C 225858937 MXTDJOLPAMVJKX-UHFFFAOYSA-N 369.490 3.933 0 40 FHAB O=C(CSCc1ccc(Cl)cc1F)NCCCN1CCCCC1 223028508 BAULIRMHTXIBDX-UHFFFAOYSA-N 358.910 3.705 0 40 FHAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCOCc3ccccc3)cc2)C1 224334017 YEIVDJANXKQOOT-IBGZPJMESA-N 366.505 3.865 0 40 FHAB O=C(c1cc(C2CC2)on1)N(CCc1cccs1)Cc1cccnc1 75170153 OLSBJMUDEVQPNK-UHFFFAOYSA-N 353.447 3.894 0 40 FHAB COc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1F 192671501 RTFCCQXWLSRVAG-UHFFFAOYSA-N 350.198 3.942 0 40 FHAB O=C1CC[C@]2(CCCN(Cc3ccccn3)CC2)N1Cc1cccc(F)c1 96047557 ZUOJPDCCVWNXPH-QFIPXVFZSA-N 367.468 3.768 0 40 FHAB Fc1cnc(N2CCC3(CC2)CN(c2cccnc2)c2ccccc23)nc1 96078784 NZPIBMMYQITLAV-UHFFFAOYSA-N 361.424 3.701 0 40 FHAB C[C@H](C(=O)N1CCCC[C@@H]1c1nnc(-c2ccccc2F)o1)n1cccc1 583622143 SAVWDUBIAMPCKI-RHSMWYFYSA-N 368.412 3.992 0 40 FHAB C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)[C@H]1C[C@H]2CC[C@H]1C2 245237558 NOSLJEHASHQEEW-SMLCLMEVSA-N 360.523 3.541 0 40 FHAB CCCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)O[C@H]1CCC[C@H]1C 245231835 JWQQUJWYUWFDMB-AZOIQLNYSA-N 372.465 3.835 0 40 FHAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCc2ccccc2C(C)(C)C1 664224529 SRKARBYTKCGNAI-OAHLLOKOSA-N 368.525 3.513 0 40 FHAB O=C(NC[C@H](O)c1cc(-c2ccco2)cs1)Nc1ccc2c(c1)OCO2 1775969073 WIOKEPWYSSZJJA-ZDUSSCGKSA-N 372.402 3.592 0 40 FHAB O=C(NCCn1ccc(-c2cccs2)n1)NC12CC3CC(CC(C3)C1)C2 96103887 XINNRPOZGDRCSV-UHFFFAOYSA-N 370.522 3.880 0 40 FHAB Cc1c(C(=O)N2CCC[C@]23CN(c2ccc(F)cc2)C(C)(C)C3)cnn1C 1615156999 LOXLPUKRRUJMEY-NRFANRHFSA-N 370.472 3.531 0 40 FHAB COC[C@@H](C)n1c(C)cc(C(=O)COc2ccc(-c3nnco3)cc2)c1C 5208561 VESHZPDGBVZMEE-CQSZACIVSA-N 369.421 3.624 0 40 FHAB O=c1oc2ccccc2n1[C@H]1CCCN(CC2=Cc3ccccc3OC2)C1 12119256 QYAWVMGXGZWVDK-SFHVURJKSA-N 362.429 3.707 0 40 FHAB Cc1cc(OCC(=O)Nc2cnc3c(cnn3C(C)C)c2)ccc1Cl 12999232 MLPJIUBJENKRMI-UHFFFAOYSA-N 358.829 3.992 0 40 FHAB O=S(=O)(Cc1ccc(Cl)cc1)NCCSCc1ccccc1F 13632821 KGHNKVMQRLKILO-UHFFFAOYSA-N 373.902 3.832 0 40 FHAB O=C(CSc1ncnn1C(=O)/C=C\c1cccs1)c1ccccc1 16790380 GTKXJCWWHNSKRO-HJWRWDBZSA-N 355.444 3.668 0 40 FHAB COc1ccc(CN2C[C@@H]3[C@@H](CC[C@@]3(O)c3ccc(C)cn3)C2)c(C)c1C 19216000 QFWWPVQLUDUHHB-MZKRTTBSSA-N 366.505 3.745 0 40 FHAB Cc1nc([C@H](Cc2ccsc2)NC(=O)[C@H](C)n2nccc2C)sc1C 19238312 VXGJKOACVBDQSO-BBRMVZONSA-N 374.535 3.988 0 40 FHAB Cc1cnc2c(C(=O)Nc3ccccc3CN3CCCCCC3)cnn2c1 19239344 PHVFPERWNRKVNL-UHFFFAOYSA-N 363.465 3.666 0 40 FHAB O=C(Cc1ccccc1)N1C[C@@H]2CCCCN(Cc3cccc(F)c3)[C@@H]2C1 19370319 ZMVWHQNUTVDOGH-RBBKRZOGSA-N 366.480 3.881 0 40 FHAB O=C(NCC1CCN([C@H]2CCSC2)CC1)Nc1ccccc1Cl 225576844 DSXNVSQEPCVCID-AWEZNQCLSA-N 353.919 3.679 0 40 FHAB CCC(CC)C(=O)N1CCO[C@H](c2cccc(Nc3ncc(C)s3)n2)C1 643550680 MPOUJYORWTVSBH-INIZCTEOSA-N 374.510 3.926 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)N[C@@H]2CCSc3ccc(Cl)cc32)no1 25217014 VTOZEWGSHHXBTO-ZWNOBZJWSA-N 351.859 3.790 0 40 FHAB O=C(Nc1cc2c3c(c1)CCN3C(=O)CC2)c1ccccc1C(F)(F)F 5153359 NPNJOEVVSNVNEW-UHFFFAOYSA-N 360.335 3.793 0 40 FHAB CSc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 5222778 WHHNCLIWAQNKDJ-JTQLQIEISA-N 360.504 3.946 0 40 FHAB Cc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(c2cc(C)cc(C)c2)C3)cc1 15081250 RDKVQLBRCHRGEV-HXUWFJFHSA-N 361.445 3.609 0 40 FHAB Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)c2)cc1C 15882952 OYJOTQNATYXXBL-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB FC(F)(F)c1ccnc(N2CC(n3c(C4CC4)nc4ccccc43)C2)n1 1775970908 JKACXQHKLIZPLR-UHFFFAOYSA-N 359.355 3.784 0 40 FHAB Fc1ccc2c(N3CCC(N4CCc5sccc5C4)CC3)ncnc2c1 1775971026 LUAOZDBGLXYZJA-UHFFFAOYSA-N 368.481 3.858 0 40 FHAB Cc1cnc(C(=O)N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)cn1 1890301499 KINUAJJANOIKGZ-UHFFFAOYSA-N 373.460 3.625 0 40 FHAB CCOC(=O)c1csc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1 203920352 NPLNALYZDBTCPW-UHFFFAOYSA-N 372.443 3.996 0 40 FHAB CSc1ccccc1NC(=O)C(=O)NCc1ccc(-c2cccs2)o1 575609656 ZSXQRUXHNIBQCR-UHFFFAOYSA-N 372.471 3.985 0 40 FHAB COc1ccc(Br)c(C(=O)NCC2(c3cccs3)CC2)c1 22680006 DERDPSKDANVWHK-UHFFFAOYSA-N 366.280 3.981 0 40 FHAB O=C(CCC(=O)c1ccc(Cl)s1)NCc1ccc(-n2cccn2)cc1 40106960 IPXKXDXCNKYRJB-UHFFFAOYSA-N 373.865 3.867 0 40 FHAB O=C(COCc1ccccc1Cl)Nc1ccc(N2CCCC2=O)cc1 40141342 LLENMSBEEUGRKH-UHFFFAOYSA-N 358.825 3.622 0 40 FHAB O=C(NC1CCCC1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 918087 ZSMAYZYDBXLLMD-UHFFFAOYSA-N 364.327 3.681 0 40 FHAB O=C(CCc1nc(-c2cccs2)no1)Nc1cccc2ncccc12 21597842 SKKVIDWPPXHSJB-UHFFFAOYSA-N 350.403 3.918 0 40 FHAB O=C1Oc2ccccc2[C@H]2c3sc(=O)[nH]c3S[C@H](c3ccccc3)[C@H]12 4279890 QBSQXDUSRCMDLO-RBSFLKMASA-N 367.451 3.951 0 40 FHAB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)N[C@H]1C[C@H]2CC[C@@H]1C2 4833187 CHWABAWPEQSGGM-SUHUHFCYSA-N 362.886 3.522 0 40 FHAB O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccccc1F 6423078 CSJDYQBLOKDHMR-UHFFFAOYSA-N 357.410 3.524 0 40 FHAB Cc1cc(C)cc(C(=O)Nc2ccc(I)cn2)c1 6962975 VXIUTQYMUVKEFH-UHFFFAOYSA-N 352.175 3.555 0 40 FHAB COc1ccc(OCCNC(=O)c2cc3ccccc3cc2OC)cc1 7815250 RGJFYCPUEGTLDW-UHFFFAOYSA-N 351.402 3.666 0 40 FHAB CCOc1ccc(Cl)c(C(=O)N[C@@H]2CCN(C3CCCCCC3)C2)n1 69929041 TVWPIMXZMOJWHK-CQSZACIVSA-N 365.905 3.661 0 40 FHAB Cn1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c2cc(F)ccc21 22236312 SXZZZRJBBQMXDG-UHFFFAOYSA-N 364.298 3.949 0 40 FHAB Cc1nc(-c2ccccc2)ccc1C(=O)N(C)C[C@@H]1COc2ccccc2O1 23184065 UBZFVVHRQAIOEJ-GOSISDBHSA-N 374.440 3.969 0 40 FHAB COc1cc2cc[n+](Cc3cccc(Br)c3)cc2cc1OC 24156696 GOKMMBRKMQTJDY-UHFFFAOYSA-N 359.243 3.955 0 40 FHAB O=C(NCCSc1ccccc1)c1ccc(OC[C@H]2CCCO2)cc1 23956572 LXLMYNOSTQWYOM-GOSISDBHSA-N 357.475 3.767 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)Nc1cc(C)nn1Cc1ccccc1 28243985 NHBRVYDLOLMDLJ-MRXNPFEDSA-N 365.433 3.654 0 40 FHAB Cc1cc(C(=O)OCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c(C)n1C1CC1 105888624 ZDFZWKPMBVHVHA-MBGYTDRXSA-N 358.482 3.538 0 40 FHAB Fc1ccc(-c2n[nH]cc2CNCc2cccc(Cn3cccn3)c2)cc1 55172046 HPWFOLSTQTWCPR-UHFFFAOYSA-N 361.424 3.750 0 40 FHAB Cc1cccc(OCCCNC(=O)COCc2nc3ccccc3s2)c1 24657690 FRCWZABBSJZLOU-UHFFFAOYSA-N 370.474 3.707 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc21 24680803 CDOPPAJPNUPLSL-UHFFFAOYSA-N 363.339 3.570 0 40 FHAB CCN1CCN(c2ccc(NC(=O)CCOc3ccccc3)cc2C)CC1 9470145 MSKJAVCUVKJLSO-UHFFFAOYSA-N 367.493 3.545 0 40 FHAB Cc1nc(C)c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)nc1C(N)=O 43206395 YXFNPRHZMOGREC-UHFFFAOYSA-N 367.449 3.608 0 40 FHAB CCOc1ccccc1CNS(=O)(=O)c1ccc(OC)c(C(C)C)c1 113955772 CKDGKZGHDCTPBR-UHFFFAOYSA-N 363.479 3.696 0 40 FHAB COc1ccc(NC(=O)[C@@H](CC(C)C)N2Cc3ccccc3C2=O)cc1 1383765 GJRQYIHKRCWCEP-LJQANCHMSA-N 352.434 3.704 0 40 FHAB CC[C@@H]1CCc2sc(C(=O)N[C@@H](C)[C@H](O)c3ccc(O)cc3)cc2C1 34870805 ARVXQCKBKCDVMP-QUJCMNEKSA-N 359.491 3.821 0 40 FHAB COC(=O)[C@]12CC[C@@](C)([C@@H](OC(=O)C(Cl)(Cl)Cl)C1)C2(C)C 100745783 JRRZNKPUTSDMIK-HJIKLVIJSA-N 357.661 3.658 0 40 FHAB COc1cccc(C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)c1 20141402 OCQYENORUJACAL-UHFFFAOYSA-N 353.374 3.708 0 40 FHAB COc1ccc(C(=O)CSc2nccn2Cc2ccccc2)cc1OC 26042809 YXADEQIUMDQXCJ-UHFFFAOYSA-N 368.458 3.924 0 40 FHAB CCOc1ccc(C2=CCN(C(=O)Cc3sc(S)nc3C)CC2)cc1 91925505 FXHCJXSJTPSGFB-UHFFFAOYSA-N 374.531 3.997 0 40 FHAB CCc1cc2c(=O)n(Cc3ccc(OC(F)(F)F)cc3)cnc2s1 26691345 ZPFPSPJGLJPIMV-UHFFFAOYSA-N 354.353 3.967 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ncnc3ccccc23)cc1 3253931 LFPVSWHSFIHIPV-CYBMUJFWSA-N 351.431 3.952 0 40 FHAB O=C1C(Cl)=C(Nc2ccc(F)c(Cl)c2)C(=O)N1Cc1ccccc1 1903690 ZQSJNPHXWXVVFF-UHFFFAOYSA-N 365.191 3.910 0 40 FHAB COC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 48007688 JUSPKOOATOMXAO-KRWDZBQOSA-N 364.405 3.719 0 40 FHAB COc1cccc([C@H]2Nc3nonc3N=C3CC(C)(C)CC(O)=C32)c1OC 102739452 BRAYAORBVVWSNT-OAHLLOKOSA-N 370.409 3.958 0 40 FHAB CCCCc1nnc(NC(=O)Cc2csc(-c3ccccn3)n2)s1 23362856 JPCQHRXOASOWGP-UHFFFAOYSA-N 359.480 3.580 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCC(C)C)c2C)cc1 10314927 FAPDQGFCMMFDCS-UHFFFAOYSA-N 374.506 3.880 0 40 FHAB CC(C)C(NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)C(C)C 10315226 IFVRRBGRAXPWKY-UHFFFAOYSA-N 374.506 3.898 0 40 FHAB Cc1cccc(C)c1OC[C@H](O)CNc1ncnc2sc(C)c(C)c12 58407573 JBJSGDLKHZYXDN-OAHLLOKOSA-N 357.479 3.777 0 40 FHAB COc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c(OC)c1 10544459 MJPMPFWECYYUIG-CQSZACIVSA-N 365.433 3.600 0 40 FHAB CC(=O)Nc1cccc(C(=O)OCC(=O)c2oc3ccccc3c2C)c1 23950794 VTBCOMMIWLPYID-UHFFFAOYSA-N 351.358 3.739 0 40 FHAB Cc1cccc(OCC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1C 28288626 VNCVKLICCSSQCE-QGZVFWFLSA-N 363.461 3.965 0 40 FHAB Cc1cc(C)n2nc(C(=O)N(C)C(c3ccccc3)c3ccccc3)nc2n1 3322866 SBEVVKJRCGVATA-UHFFFAOYSA-N 371.444 3.603 0 40 FHAB CC[C@H](C)c1ccc([C@H](NC(=O)N2CCC(C(N)=O)CC2)C(C)C)cc1 12735633 JOVOBRVNOSOZFS-HNAYVOBHSA-N 359.514 3.804 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)CCn1c(=O)n(C)c2ccccc21 11429163 HFYOQFOBPWAETC-UHFFFAOYSA-N 351.450 3.801 0 40 FHAB Cc1cccc(C)c1NC(=O)CNC(=O)CCc1nc2ccccc2s1 3452264 PCXDXBIJTNVTMH-UHFFFAOYSA-N 367.474 3.601 0 40 FHAB O=C(CNc1ccc(Cl)cc1F)Nc1ccc(N2CCCC2=O)cc1 12923412 BLGNIMVYXOKXKK-UHFFFAOYSA-N 361.804 3.657 0 40 FHAB O=C(CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1cccc(Cl)c1 12973260 GOQRWTGSYWQLDW-OAHLLOKOSA-N 371.868 3.629 0 40 FHAB CCCCc1ccc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1 5388269 LTPFCGKGLBHNTK-UHFFFAOYSA-N 361.445 3.892 0 40 FHAB O=C(CSc1nc2cc(Cl)ccc2s1)NC(=O)c1ccccc1 6649358 VWQYLCKUVJCWRO-UHFFFAOYSA-N 362.863 3.998 0 40 FHAB Cc1ccc(C(=O)OCC(=O)NCc2ccc(C(F)(F)F)cc2)cc1C 67197847 WZRXNFKRCRUECT-UHFFFAOYSA-N 365.351 3.795 0 40 FHAB O=C(COc1ccccc1C(=O)N1CCCCC1)NCCC1=CCCCC1 9154474 WNWJAGLMZFHMHP-UHFFFAOYSA-N 370.493 3.698 0 40 FHAB CCOc1ccc(C(=O)[C@H](C)OC(=O)C2=Cc3ccccc3OC2)cc1 7640184 BLQZPKLHAYGMDS-AWEZNQCLSA-N 352.386 3.676 0 40 FHAB O=C(c1ccn(COc2ccccc2Cl)n1)N1CCc2ccccc2C1 27972520 LZTLRGDYOOHRIK-UHFFFAOYSA-N 367.836 3.772 0 40 FHAB Cc1ccccc1-n1nnnc1SCc1cc(-c2cccs2)on1 9364269 MPFUXJQGNDIBOX-UHFFFAOYSA-N 355.448 3.980 0 40 FHAB CC(C)Oc1ccccc1CN1C(=O)C2(OCCO2)c2cccc(Cl)c21 8047204 PYVHPFDMGZMVQQ-UHFFFAOYSA-N 373.836 3.874 0 40 FHAB Cc1cc(C(=O)OCC(=O)NC2C3CC4CC(C3)CC2C4)c(C)n1C1CC1 16695201 RKLAALCCEVKALJ-UHFFFAOYSA-N 370.493 3.538 0 40 FHAB COC(=O)c1ccc(Nc2nnc(-n3nc(C)cc3C)c3ccccc23)cc1 9561446 YGTSJCSAICFTHD-UHFFFAOYSA-N 373.416 3.963 0 40 FHAB O=C(Nc1ccc2c(c1)OCCO2)c1c[nH]c2ccc(Br)cc12 8327154 DWOUYIGVTMFTOB-UHFFFAOYSA-N 373.206 3.954 0 40 FHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)N(C)c1ccccc1 9663810 XGFLAUFEURRHRC-UHFFFAOYSA-N 366.490 3.644 0 40 FHAB O=C(CSc1ncnc2ccccc12)Nc1ccccc1N1CCCC1 9754752 PTNUFZNFRACMNU-UHFFFAOYSA-N 364.474 3.961 0 40 FHAB Cc1cc(C(=O)N2CCN(C(C)C)CC2)c(C)n1[C@@H](C)c1ccccc1 97288145 HDLYOOHNYGCTGI-SFHVURJKSA-N 353.510 3.880 0 40 FHAB CCC(=O)N1CSC[C@H]1C(=O)N1Cc2ccccc2-c2ccccc2C1 95348996 LWIRDZGALHQZIS-IBGZPJMESA-N 366.486 3.507 0 40 FHAB C[C@H](CO)N1Cc2cccc(NC(=O)/C=C/c3cc4ccccc4o3)c2C1 95458485 AINMEMBQLKBCPL-BOLDSZDNSA-N 362.429 3.781 0 40 FHAB Cc1sc2ncc(C(=O)N3CC[C@@H](C)C[C@H]3c3ccco3)c(=O)n2c1C 95463104 STGPKULSYWKKOO-ABAIWWIYSA-N 371.462 3.579 0 40 FHAB O=C(Cc1cccs1)Nc1ccc(OCc2noc(C3CC3)n2)cc1 95955969 MMJTVVJPKMOTIV-UHFFFAOYSA-N 355.419 3.769 0 40 FHAB COc1ccc(CN(C(=O)N[C@@H](c2nccs2)C2CC2)C2CC2)cc1 74708996 ZMZAXYUHNJSNJC-QGZVFWFLSA-N 357.479 3.977 0 40 FHAB CC(C)(C)OC(=O)NC(C)(C)C(=O)Nc1ccc(OC(F)(F)F)cc1 60141745 PQGVQSIMQUMMPU-UHFFFAOYSA-N 362.348 3.827 0 40 FHAB CCc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc1 409349440 PXXJGBOKWYNZAV-ATVHPVEESA-N 372.490 3.544 0 40 FHAB CC1(C)CC[C@H](NC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c2ccccc21 521757384 SYRCSIFVEOQXSB-SFHVURJKSA-N 365.477 3.793 0 40 FHAB CC(=O)Nc1cccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)c1 39758238 CZJYGRWAOIZHID-UHFFFAOYSA-N 369.440 3.635 0 40 FHAB Cc1cc(-c2cnc(C)nc2[C@H]2CCCN(Cc3cscn3)C2)on1 72334681 NMRZQHXNLOVBAB-AWEZNQCLSA-N 355.467 3.585 0 40 FHAB COc1ccc(NC(=S)NCc2nc(-c3ccc(C)cc3)no2)cc1 78441973 XEPKNLPAWFYHHB-UHFFFAOYSA-N 354.435 3.540 0 40 FHAB O[C@@H](c1ccccn1)c1ccccc1N1CCN(Cc2cccs2)CC1 72340684 DJCZMTGTJWRGMA-OAQYLSRUSA-N 365.502 3.547 0 40 FHAB O=C(NCCNC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1 36392436 GXOXHDTVUIFKQH-UHFFFAOYSA-N 352.221 3.545 0 40 FHAB Fc1ccc(CN(Cc2ccnn2[C@H]2CCCCO2)C[C@@H]2CCCO2)cc1 36719407 ZHMOEUXCENPZSA-LEWJYISDSA-N 373.472 3.903 0 40 FHAB CC(C)COc1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1Cl 30512630 PFEAECUWVOYMNM-UHFFFAOYSA-N 371.828 3.603 0 40 FHAB COc1ccc([C@H](C)NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1 36613908 JXOKRPGRLKLIGX-NSHDSACASA-N 351.406 3.908 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1nnc(C2CC2)s1 40128853 VTGHBSNJKBPBCG-UHFFFAOYSA-N 371.441 3.538 0 40 FHAB O=C(Nc1cccc(OC(F)(F)F)c1)N1CCN(Cc2ccco2)CC1 40104638 YURSZMHFGWEQJD-UHFFFAOYSA-N 369.343 3.528 0 40 FHAB COC(=O)[C@H]1CC(=O)N(c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)C1 45887135 ATIDHCPUTLZYHJ-LBPRGKRZSA-N 370.792 3.674 0 40 FHAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C)c2)c1 224549497 FQRUKSJKXIPXDD-OALUTQOASA-N 364.474 3.606 0 40 FHAB CCCCc1nc(CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)cs1 47346959 BUSSCXQAQGHWJY-LJQANCHMSA-N 357.479 3.761 0 40 FHAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)cc1 223780246 YMXHGECRBMIVRX-RTBURBONSA-N 364.474 3.904 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl 223058106 PXPZMXOGGHQENF-IBGZPJMESA-N 372.896 3.744 0 40 FHAB CO[C@]1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCC[C@@H](C)C1 225635032 HDUUDDQKRIJQIP-DYESRHJHSA-N 360.498 3.695 0 40 FHAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC)c(C(=O)OC)c1 225845543 GFDHXXJGLZEKQK-IBGZPJMESA-N 351.443 3.796 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 224216179 FJRWXKYTEOLVJX-NRFANRHFSA-N 366.505 3.789 0 40 FHAB COc1ccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1OC 225160432 UDSMZFHAWDKWEL-HNNXBMFYSA-N 369.461 3.666 0 40 FHAB Cc1oc2ccccc2c1CNC[C@@H]1CCCN(C)[C@H]1c1cncn1C 583616569 LLODKUOVUVNAJU-HRAATJIYSA-N 352.482 3.647 0 40 FHAB CC(C)[C@@H]1CCCN(c2nnc(-c3ccccn3)n2Cc2ccco2)C1 585080734 YSSKIAZWGPRXEI-MRXNPFEDSA-N 351.454 3.854 0 40 FHAB Cc1cccnc1Nc1nccnc1[C@H]1CCCN(Cc2cncs2)C1 257338957 YZPSRGGCURCEMS-HNNXBMFYSA-N 366.494 3.760 0 40 FHAB C[C@@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN1C(=O)c1ccccn1 257310022 UDKCOQQHSOHPQC-NRFANRHFSA-N 365.408 3.951 0 40 FHAB CCC(CC)[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@H]3NC(=O)CCOC 257205011 AXFKTNUWFFPXHD-ZZDIOYDHSA-N 351.531 3.785 0 40 FHAB CC(=O)N[C@@H](CC(=O)N1c2ccccc2N(C)CC[C@@H]1C)c1cccs1 607714459 XBMDEBISBRKVMM-HOCLYGCPSA-N 371.506 3.577 0 40 FHAB O=C(NCc1cncc(-c2cccnc2)c1)c1cc(-c2cccs2)on1 828228831 YMZCKTOBXCDMHW-UHFFFAOYSA-N 362.414 3.790 0 40 FHAB CC(C)[C@@H](CNC(=O)NCc1ccccc1OCc1ccccc1)N(C)C 58202205 ITQXSXLRAHWKGJ-HXUWFJFHSA-N 369.509 3.651 0 40 FHAB Cc1cccc(NC(=O)N(Cc2ccccc2)[C@@H](C)CN2CCOCC2)c1 75582652 MJIVDEHQIWESNI-IBGZPJMESA-N 367.493 3.750 0 40 FHAB O=C(COc1ccc(F)cc1)N1CCC(c2ccc3cccnc3n2)CC1 655265125 GYGGZQKYUOHXOC-UHFFFAOYSA-N 365.408 3.554 0 40 FHAB Cc1ccc(N2CCC[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)C2)nn1 585234502 YFVUJXHSUGESSY-LBPRGKRZSA-N 365.264 3.947 0 40 FHAB Cc1ccc(Cn2nnc(C(=O)Nc3cccc(C)c3)c2-n2cccc2)cc1 1775969086 WWJRBSZPPIKTLF-UHFFFAOYSA-N 371.444 3.986 0 40 FHAB CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1 5075555 WIFLMEUCYUNIBY-UHFFFAOYSA-N 372.490 3.776 0 40 FHAB CN(C)c1ccc(C(=O)Nc2ccc(I)cc2)cc1 5334204 ZZYLJGCNKKBUNL-UHFFFAOYSA-N 366.202 3.610 0 40 FHAB Cc1cc(C)c(NC(=O)CNc2ccc(C(=O)NC3CC3)cc2)c(C)c1 12545980 BAQQLBBRNLVLNT-UHFFFAOYSA-N 351.450 3.555 0 40 FHAB O=C(CSCc1ccc(C(=O)O)cc1)NC12CC3CC(CC(C3)C1)C2 12817453 WKYOYUQCUCKTPX-UHFFFAOYSA-N 359.491 3.703 0 40 FHAB Fc1ccc(F)c(CN2CCC(c3noc(-c4ccncc4)n3)CC2)c1 19293042 HRJBEBLMWBMZMY-UHFFFAOYSA-N 356.376 3.789 0 40 FHAB CCCC(=O)NCCn1nc(-c2cccnc2)cc1-c1cccc(OC)c1 19501748 QRDDKEITCYKPDX-UHFFFAOYSA-N 364.449 3.537 0 40 FHAB Cc1cc(C)n([C@@H](C)C(=O)NCCc2cn(C)c3ccc(Cl)cc23)n1 19660570 FQGWWVPCSFVQTC-AWEZNQCLSA-N 358.873 3.565 0 40 FHAB Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1N1CCOCC1 226329581 OHDJUBHDTPWYGD-UHFFFAOYSA-N 367.493 3.964 0 40 FHAB O=C(N1CCN=C1SCc1cccnc1)C12CC3CC(CC(C3)C1)C2 4057715 YJHDFAQUMZJNJJ-UHFFFAOYSA-N 355.507 3.729 0 40 FHAB COc1ccccc1NC(=O)CN1C(=O)C[C@@H](C)Sc2ccccc21 5052352 JVAIDBXRLKXSBK-CYBMUJFWSA-N 356.447 3.551 0 40 FHAB COc1ccc(C(=O)NCc2cc(-c3ccc(Cl)cc3)on2)cc1OC 12235637 BEWDTKADDPTJCU-UHFFFAOYSA-N 372.808 3.942 0 40 FHAB Cc1cc(-c2nnc(NC(=O)c3sc4ccccc4c3Cl)o2)n(C)n1 13614585 QZKRVOBWUVAQFG-UHFFFAOYSA-N 373.825 3.899 0 40 FHAB Cc1cc(C)n([C@H](CNC(=O)Cc2ccc(F)cc2)c2cccs2)n1 575609816 HSDLMIDXKCZURP-QGZVFWFLSA-N 357.454 3.649 0 40 FHAB CCc1sc(C(=O)NCC(=O)Nc2ccc(C)c3ncccc23)cc1C 40069933 PZTZOUCOLIFQFF-UHFFFAOYSA-N 367.474 3.844 0 40 FHAB C[C@@H]1CC(=O)c2c(OCC(=O)Nc3cc(C(C)(C)C)no3)ccc(F)c21 40068617 TWPIFHVHZFGISG-SNVBAGLBSA-N 360.385 3.819 0 40 FHAB COCC(=O)Nc1cccc(NC(=O)N(C)Cc2cccc(Cl)c2)c1 40104752 YMGFSMFICULAAP-UHFFFAOYSA-N 361.829 3.589 0 40 FHAB CCOC(=O)Nc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1 40120663 KOLUYSRJNNIUPX-UHFFFAOYSA-N 368.437 3.609 0 40 FHAB CC[C@@H]1CCCN(C(=O)c2occc2CS(=O)(=O)c2ccccc2)C1 31680195 SLUMZZOSVNNOSY-OAHLLOKOSA-N 361.463 3.516 0 40 FHAB O=C(Nc1cccc(-c2nnn[nH]2)c1)C(c1ccccc1)c1ccccc1 20496014 UEZWCXCIIXSQQZ-UHFFFAOYSA-N 355.401 3.637 0 40 FHAB COc1ccccc1CCC(=O)N[C@@H](CC(C)C)c1nnc2ccccn12 20719302 BVMYNQSRPPHAAI-KRWDZBQOSA-N 366.465 3.574 0 40 FHAB CN(C)[C@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccc(F)cc1 32623323 BYINGYPSQUCKEC-OAHLLOKOSA-N 359.426 3.575 0 40 FHAB Cc1cc(C)c(C(=O)Nc2ccccc2)c(SCC(=O)NC(C)(C)C)n1 9250009 LJLMECONMQLFQU-UHFFFAOYSA-N 371.506 3.958 0 40 FHAB CCCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccccn1 1362586 NQWUIKNKRAORLY-UHFFFAOYSA-N 367.478 3.789 0 40 FHAB COc1cc2c(cc1OC)[C@@H]1CCc3cc(OC)c(OC)cc3[C@H]1N=C2 1659844 CUKMWZUBYZDJNQ-QKKBWIMNSA-N 353.418 3.925 0 40 FHAB CC1(C)CC2=Nc3nc(N)[nH]c(=O)c3[C@H](c3ccc(Cl)cc3)C2=C(O)C1 102453289 VLIIMPWBRHBPHT-CYBMUJFWSA-N 370.840 3.856 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1cn2c(C)cccc2n1 32950657 XOMYOLNEKBODNM-CQSZACIVSA-N 361.401 3.861 0 40 FHAB O=C1C[C@@H](c2ccc(OCc3c(F)cccc3Cl)cc2)n2ncnc2N1 6452980 NDQBEDGHABAHBA-INIZCTEOSA-N 372.787 3.581 0 40 FHAB CSc1cnc2ccccc2c1N1CCN(Cc2cc(C)no2)CC1 96011485 WHCMYXXJPNZRLR-UHFFFAOYSA-N 354.479 3.575 0 40 FHAB CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(OC(F)F)cc1 6605008 LLEWFFYCSCFJTQ-UHFFFAOYSA-N 365.332 3.517 0 40 FHAB CC(=O)Nc1ccc(N[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 7221674 XVDKFJLBPAGPCT-FCLDQCEHSA-N 355.482 3.530 0 40 FHAB O=C1[C@@H]2[C@H](c3ccccc3)[C@]2(Cl)C(=O)[C@@H]2[C@H](c3ccccc3)[C@@]12Cl 100295420 UNEGTQFQRVOMCV-BVBVUKCESA-N 357.236 3.921 0 40 FHAB CCOc1cccc(/C=C2\NC(=S)N(c3cccc(CC)c3)C2=O)c1O 9335928 GEPRTLGNVKILFZ-VBKFSLOCSA-N 368.458 3.616 0 40 FHAB C[C@H]1[C@@H](OC(=O)c2cccc(N3C(=O)CCC3=O)c2)C[C@H]2C[C@H]1C2(C)C 102806021 IGPLREQKGCQVKF-WNOSKKOXSA-N 355.434 3.568 0 40 FHAB CN(Cc1ccc(F)cc1)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 23508573 FVDVQUOMBLTULO-UHFFFAOYSA-N 357.454 3.635 0 40 FHAB CCN(Cc1ccc(Cl)s1)CN1C(=O)NC2(CCCCCC2)C1=O 23652866 SHRVDDNBSBKNFI-UHFFFAOYSA-N 369.918 3.826 0 40 FHAB O=C(NCCc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F 9995122 ULVUBZLTZPNRTR-UHFFFAOYSA-N 370.758 3.656 0 40 FHAB C[C@H](NC(=O)c1ccc(OCc2nccn2C)cc1)c1ccc(F)cc1F 47518909 IYXWLCCXQXKUSQ-ZDUSSCGKSA-N 371.387 3.768 0 40 FHAB CN1C(=O)C[C@@H](C(=O)Nc2ccc3cc[nH]c3c2)[C@H]1c1ccc(Cl)cc1 61719423 KNXMRRJUWHVILJ-VQIMIIECSA-N 367.836 3.979 0 40 FHAB Cc1c(C(=O)N2CCC[C@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1 24438682 MSBVJWKQHSTGEK-LBPRGKRZSA-N 355.335 3.734 0 40 FHAB Cc1cc(=O)oc2cc(OCC(=O)N(C3=CCCCC3)C3CC3)ccc12 24695291 VPJNPAHJSQMJAC-UHFFFAOYSA-N 353.418 3.929 0 40 FHAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3C)CC2=O)c1 24748145 YXEXBOVKWHKNHX-ZDUSSCGKSA-N 358.825 3.649 0 40 FHAB CCOC(=O)Cn1c2c(sc1=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)(C)S2 28295063 CGWHPZGZKJARRC-IJLUTSLNSA-N 355.525 3.877 0 40 FHAB C[C@@H]1CCCCN1C(=O)c1nnc2sc(-c3ccccc3Cl)nn12 57354646 KEKSXKFNMWLZCH-SNVBAGLBSA-N 361.858 3.521 0 40 FHAB O=C(NCCc1cccc(Cl)c1)c1ccc2c(O)[nH]c(=S)nc2c1 47932271 ANUDRQKZELRHQT-UHFFFAOYSA-N 359.838 3.624 0 40 FHAB O=C(COC(=O)Cc1c(Cl)cccc1Cl)Nc1ccccc1F 3231658 DSPZIHZDGVYIMB-UHFFFAOYSA-N 356.180 3.857 0 40 FHAB O=C(COC(=O)C1CCCCC1)Nc1ncc(C(F)(F)F)cc1Cl 3260415 PRYTWESOCBQSHN-UHFFFAOYSA-N 364.751 3.816 0 40 FHAB O=C(/C=C/c1cccs1)NC(=S)N1CCCC[C@H]1c1cccnc1 2091048 HGYVQVIQIILDSI-FDMDGMSGSA-N 357.504 3.785 0 40 FHAB biogenic Cc1ccccc1-c1noc(CN2CCN(c3ccc(F)cc3)CC2)n1 58019714 BFAGQQKFNGKNFS-UHFFFAOYSA-N 352.413 3.506 0 40 FHAB COCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC(F)(F)F)cc1 12644928 GWTVNGGIDOADJB-MRXNPFEDSA-N 366.339 3.798 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)Cc1cccc(F)c1)c1ccc(Cl)cc1 12627469 ZYONRCLJFARKFA-SFHVURJKSA-N 357.816 3.661 0 40 FHAB CCOc1cccc([C@@H](C)NC(=O)c2cccc(CN3CCCC3=O)c2)c1 58185617 JRKFYJBMPOXUEN-MRXNPFEDSA-N 366.461 3.699 0 40 FHAB COc1c(C)cnc(CN(C)C(=O)c2ccc(OC(F)(F)F)cc2)c1C 58166375 HGGOPFAZVKBTQS-UHFFFAOYSA-N 368.355 3.878 0 40 FHAB CC[C@H](C)n1nccc1NC(=O)CCCNC(=O)c1ccc(Cl)cc1 69613886 PKJXJFCEZKHRJE-ZDUSSCGKSA-N 362.861 3.656 0 40 FHAB COc1ccccc1[C@H](NC(=O)c1cc(C)sc1C)c1nccn1C 48289095 NOISGRZZZTVTBB-KRWDZBQOSA-N 355.463 3.626 0 40 FHAB CC(C)CCNC(=O)c1c(N)n(CCC(C)C)c2nc3ccccc3nc12 2195237 YPXHCJLPOWHQEB-UHFFFAOYSA-N 367.497 3.989 0 40 FHAB CCOc1ccc(-c2nonc2NC(=O)COc2ccc(F)cc2)cc1C 27740953 NTBPNWOWNVWIRK-UHFFFAOYSA-N 371.368 3.600 0 40 FHAB CC1CCC(C)(NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)CC1 58344134 LQCYJRPPODWNMR-UHFFFAOYSA-N 370.537 3.943 0 40 FHAB C[C@@H]1CCC[C@](CNC(=O)Nc2ccccc2-n2cccn2)(N(C)C)C1 58368947 BOJRSZWIBSVOIL-UZLBHIALSA-N 355.486 3.504 0 40 FHAB O=C(COc1cccc(Oc2ccccn2)c1)Nc1ccc2c(c1)OCO2 24218381 VPWBHCGFXRHWER-UHFFFAOYSA-N 364.357 3.620 0 40 FHAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Oc3ccccc3)cc2)C1 10640689 BOVMBQPXXRONHI-QGZVFWFLSA-N 353.418 3.894 0 40 FHAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(Oc3ccccc3)cc2)C1 10640690 BOVMBQPXXRONHI-KRWDZBQOSA-N 353.418 3.894 0 40 FHAB C[C@@H]1CCc2nc(NC(=O)CSC(=S)N3CCCCC3)sc2C1 2371642 IZQJDHRMLUQYOI-LLVKDONJSA-N 369.581 3.710 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(C)[C@H](C)c1ccccc1 12798836 DOCNOBOXOBDZRI-MRXNPFEDSA-N 361.445 3.891 0 40 FHAB COc1cc(OC)c(NC(=O)c2cccc(N3CCCC3=O)c2)cc1Cl 11603377 QIAFODLCWMFYSI-UHFFFAOYSA-N 374.824 3.736 0 40 FHAB CC(=O)c1ccc(OC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)cc1 11610999 TZHFUCCYVPGRAW-UHFFFAOYSA-N 365.433 3.634 0 40 FHAB CC(=O)Nc1ccc(N[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1 48375026 NBQBBNLPBQGOIX-HZPDHXFCSA-N 353.466 3.583 0 40 FHAB CC(C)(C)c1nc2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)cc2[nH]1 12821995 ZRTBOEXOXZHGHY-UHFFFAOYSA-N 371.462 3.516 0 40 FHAB CCOc1ccc(CN(C)CC(=O)N[C@H]2CCCc3ccccc32)cc1 3413895 JQCZDIYTUGLVAV-NRFANRHFSA-N 352.478 3.711 0 40 FHAB Cc1ccc(CNC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1F 12994295 HVYYAFOKTMPYFP-UHFFFAOYSA-N 369.440 3.694 0 40 FHAB COc1cc(NC(=O)[C@H](C)N(C)Cc2ccccc2Cl)cc(OC)c1 13097100 LPCXYCWFHOCHFH-ZDUSSCGKSA-N 362.857 3.816 0 40 FHAB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)N1c2ccccc2C[C@H]1C 8704082 FLCJQYXLXLCOBR-MNOVXSKESA-N 360.508 3.571 0 40 FHAB C[C@@H](Sc1nnc(-c2cccs2)n1C)C(=O)N1CCc2ccccc21 8726124 JSLGWIHWHAGOHS-GFCCVEGCSA-N 370.503 3.614 0 40 FHAB COc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(C(=O)O)cs2)cc1 6006976 WSWQLECWQBCTGC-UHFFFAOYSA-N 369.324 3.721 0 40 FHAB COCCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccccc1 13732287 WPRRURQTYHOVKJ-UHFFFAOYSA-N 365.433 3.599 0 40 FHAB Cc1cc(C)n2nc(S[C@H](C)C(=O)c3ccc4c(c3)CCC4)nc2n1 4313194 PAORRXWOQWEYAO-CYBMUJFWSA-N 352.463 3.593 0 40 FHAB CC(=O)N/C(=C\c1ccccc1)C(=O)OCc1coc(-c2cccs2)n1 5206266 NQZDSAJTYBSLRP-YBEGLDIGSA-N 368.414 3.624 0 40 FHAB CCCCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1 6322295 YSVPSZAOKMCNMV-KRWDZBQOSA-N 362.495 3.612 0 40 FHAB CC(=O)N1CCC(C(=O)Nc2ccc(C)cc2C)(c2ccccc2)CC1 14085485 OBHHALVURWLZIH-UHFFFAOYSA-N 350.462 3.822 0 40 FHAB Cn1c(=O)n(CC(=O)Oc2ccc(-c3ccccc3)cc2)c2ccccc21 14105629 DGGNUOXWGYYMNX-UHFFFAOYSA-N 358.397 3.613 0 40 FHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1csc(-c2ccc(Cl)cc2)n1 14267855 PCOJFXFWANRQDT-UHFFFAOYSA-N 370.821 3.885 0 40 FHAB O=C(N[C@H]1CCSc2ccccc21)C1=NN(c2ccccc2)C(=O)CC1 5425894 HDRSDSCXKSSBPN-INIZCTEOSA-N 365.458 3.523 0 40 FHAB O=C(NCc1ccccc1)c1ccccc1NC(=O)c1ccccc1C(=O)O 6529542 NELSKKNVPCATOW-UHFFFAOYSA-N 374.396 3.567 0 40 FHAB C[C@H](C(=O)Nc1ccccc1F)[S@](=O)Cc1c(F)cccc1Cl 66301372 WKOKUNUKFHUVQH-WYVULQQZSA-N 357.809 3.894 0 40 FHAB Cc1ccc([C@]2(C)NC(=O)N(Cc3nc4ccccc4s3)C2=O)cc1 6788565 JMPLSYJHRMSZSF-IBGZPJMESA-N 351.431 3.572 0 40 FHAB COc1ccccc1N1CCN(C(=O)[C@@H](C)Sc2ccc(C)cc2)CC1 6966374 BFGARIZJXZHHFC-QGZVFWFLSA-N 370.518 3.833 0 40 FHAB C[C@H](Cc1nnc(NS(=O)(=O)Cc2ccccc2)s1)c1ccccc1 9095396 PXHJXLJFMGVLAC-CQSZACIVSA-N 373.503 3.826 0 40 FHAB Cc1cccc(-n2c(C)nnc2S[C@@H](C)C(=O)N2CCCCCC2)c1 7184640 SENMIOIGKONWCE-HNNXBMFYSA-N 358.511 3.767 0 40 FHAB O=C(CCn1c(=O)oc2ccccc21)NC(c1ccccc1)c1ccccc1 7278545 KSUJGPKGLOTQHD-UHFFFAOYSA-N 372.424 3.890 0 40 FHAB CCOCCCNC(=O)c1ccc(CN2CCCc3ccccc32)cc1 20481726 MZBGRLFPBAFVKO-UHFFFAOYSA-N 352.478 3.796 0 40 FHAB COc1cc(Cn2cnc3ccc(Cl)cc3c2=O)ccc1OC(F)F 7410674 CWASJYUGUBMCAW-UHFFFAOYSA-N 366.751 3.708 0 40 FHAB Cc1nc(N[C@@H](C)[C@@H](O)c2ccc(O)cc2)c2c3c(sc2n1)CCC3 7982114 IHCLNKPTUVOKJI-DYZYQPBXSA-N 355.463 3.728 0 40 FHAB Cc1cc(C)n2c(n1)nc(=S)n2CN1CCC(Cc2ccccc2)CC1 8061913 DNBGCGPVOISUCI-UHFFFAOYSA-N 367.522 3.789 0 40 FHAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)c3ccco3)cc2c1 9240443 AHSVGDMVYZCBMU-UHFFFAOYSA-N 373.412 3.667 0 40 FHAB C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccccc1 23042719 CXSUPHXYROTONU-AVRDEDQJSA-N 372.468 3.905 0 40 FHAB COc1cccc(C(=O)OCC(=O)Nc2nc(-c3ccccc3)cs2)c1 9234502 OHXHQZWCFLBPPN-UHFFFAOYSA-N 368.414 3.614 0 40 FHAB O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CC(=O)N(c2ccccc2)C1 8216510 OOBJAXRMSGOLRG-HNNXBMFYSA-N 363.442 3.802 0 40 FHAB CCc1noc(-c2ccc(NC(=O)COc3cc(C)cc(C)c3)cc2)n1 96346407 XRILEKVPDWKQCU-UHFFFAOYSA-N 351.406 3.933 0 40 FHAB CCn1ncc(Cl)c1CN(C)S(=O)(=O)c1ccc2ccccc2c1 20602184 DIBOPUAGRYIECE-UHFFFAOYSA-N 363.870 3.530 0 40 FHAB COc1ccc(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)cc1 9817773 BFGCXKUHIBRFBK-UHFFFAOYSA-N 373.459 3.647 0 40 FHAB COc1cc(Cl)ccc1C(=O)NCCc1nc(-c2ccncc2)cs1 78975619 YYPCRFHYNKCPCT-UHFFFAOYSA-N 373.865 3.840 0 40 FHAB Cc1nccn1-c1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C)cc1 95101206 QKDCHRXQQUPKEK-UHFFFAOYSA-N 372.432 3.592 0 40 FHAB C[C@H]1CCN(CC(=O)NCc2ccco2)c2cc(Cl)ccc2S1 75104886 LSJCEHHVOZGUPO-LBPRGKRZSA-N 350.871 3.940 0 40 FHAB CC[C@@H](C)Oc1ccccc1/C=c1\sc2nc3ccccc3n2c1=O 408903824 ZYNAFUYSTWZLLO-FDIDITGRSA-N 350.443 3.634 0 40 FHAB CO[C@H](C(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1ccccc1 409029153 YEBHVNLNRQQOIA-NRFANRHFSA-N 374.440 3.943 0 40 FHAB O=C1c2cccn2[C@@H]2CN(Cc3cccs3)C[C@H]2N1Cc1ccccc1 306126459 DWKFGAQYSHQECN-WOJBJXKFSA-N 363.486 3.631 0 40 FHAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H]2COc3ccccc3O2)cc1 30863309 NWADOYHXWGLEBJ-FXAWDEMLSA-N 355.434 3.739 0 40 FHAB c1cc(-c2ccc3nc([C@H]4CCCN(Cc5ccoc5)C4)nn3c2)ccn1 306130315 JCFGZLOQLPSGAK-IBGZPJMESA-N 359.433 3.764 0 40 FHAB CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2cccnc2N2CCCC2)CCO1 180058459 GILMPSXIQMGIDK-WMZOPIPTSA-N 360.502 3.787 0 40 FHAB COc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1OC 219532287 SVQQZZJGNIRMDM-QGZVFWFLSA-N 371.477 3.837 0 40 FHAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccccc2OC)c1C 219497361 BRURSKIHKPKWSB-CQSZACIVSA-N 357.406 3.586 0 40 FHAB O=C(NC[C@@]1(O)CCCc2occc21)c1ccc(-c2ccsc2)cc1 1565522977 DJWFJGZDKKZCQJ-FQEVSTJZSA-N 353.443 3.962 0 40 FHAB CCc1noc(-c2cccc(NC(=O)c3cc(OC)cc(OC)c3)c2)n1 33012813 QBHQRRAHCLIXFZ-UHFFFAOYSA-N 353.378 3.569 0 40 FHAB O=C(Cc1ccc(NC(=O)c2ccsc2)cc1)NCc1cccs1 38678417 GOIVDWKAMPGCRD-UHFFFAOYSA-N 356.472 3.921 0 40 FHAB COc1ccc(F)cc1S(=O)(=O)N(C)Cc1cccc2ccccc12 223755129 IWUYKNAXVQFBPW-UHFFFAOYSA-N 359.422 3.808 0 40 FHAB Cc1ccc(-c2noc(CNC(=S)Nc3c(F)cccc3F)n2)cc1 225817440 QZRSXRQVQKLVJS-UHFFFAOYSA-N 360.389 3.810 0 40 FHAB CCCCc1ccc(NS(=O)(=O)Cc2ccc(C(=O)OC)cc2)cc1 44883916 UAEVUIYQVSIQRO-UHFFFAOYSA-N 361.463 3.758 0 40 FHAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccc2c(c1)OCCO2 225703674 GYIDWCMLMGDHFE-QGZVFWFLSA-N 370.474 3.830 0 40 FHAB Cc1nc(-n2nc(-c3cccs3)cc2N)nc(O)c1Cc1ccccc1 43962462 BUUAJGNKCVQQTN-UHFFFAOYSA-N 363.446 3.578 0 40 FHAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCCN1CCc2ccccc21 44883856 JNSPRENALBYRLC-OAQYLSRUSA-N 352.478 3.721 0 40 FHAB O=C(O)CCCNC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 40287526 CFPZUXTUWBNYPV-UHFFFAOYSA-N 373.261 3.640 0 40 FHAB CC1CCC(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 42646670 KMZRQBXPRDWFAG-UHFFFAOYSA-N 362.779 3.992 0 40 FHAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 222778615 RBTLEQWPAAASKI-QZTJIDSGSA-N 352.463 3.517 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)COc2cccc3c2CCCC3)cc1 223078716 MLLUHLNSPXVLNM-INIZCTEOSA-N 369.461 3.537 0 40 FHAB CCOC(=O)c1cc(NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)ccc1Cl 225323715 VCODTTBSGKYZEP-FIXISWKDSA-N 352.887 3.992 0 40 FHAB Cc1cc(S(=O)(=O)NCCSc2ccc(Cl)cc2)ccc1F 225601800 SWGGCLADZJXRAH-UHFFFAOYSA-N 359.875 3.858 0 40 FHAB O=C(CCC(=O)N[C@H]1CCc2ccccc21)CCC(=O)c1cccs1 47431779 LKEHUYPLNRPOFM-KRWDZBQOSA-N 355.459 3.864 0 40 FHAB C[C@@H](CNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccccc1 225138978 GBXNQZKQLYXYTM-SZHLLGMXSA-N 374.440 3.970 0 40 FHAB O=C(Cc1ccc(NC(=O)c2cc3ccccc3s2)cc1)NC1CC1 225616014 OOEKNTDPJJXCRA-UHFFFAOYSA-N 350.443 3.975 0 40 FHAB Cc1ccc(CN2CC[C@@]3(CCCN(C(=O)Cc4cccnc4)C3)C2)s1 96047120 NYLYVZMGXXVUDU-NRFANRHFSA-N 369.534 3.509 0 40 FHAB CCOC(=O)[C@H](C)Nc1ccc(C)cc1C(=O)N[C@H](C)c1ccccc1 95951475 WCGWYXFYFPCELY-CVEARBPZSA-N 354.450 3.850 0 40 FHAB Cc1ccc(Cc2ccccn2)cc1NC(=O)N1CC[C@H](n2cccn2)C1 584027714 PUVYYNAIUIRGPF-IBGZPJMESA-N 361.449 3.656 0 40 FHAB COCCC(=O)N[C@@H]1C[C@H](c2ccccc2Cl)O[C@@H]2CCCC[C@@H]12 257262474 LLMVMWHWUSSFGK-DZOHQFGASA-N 351.874 3.882 0 40 FHAB CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(S(C)(=O)=O)cc1 43417429 WDKMNZPMJAWDGC-OAHLLOKOSA-N 364.492 3.693 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(Oc2cnccn2)CC1 90607682 RCVNBLTYVWCREQ-UHFFFAOYSA-N 367.236 3.859 0 40 FHAB NC(=O)c1ccccc1Oc1ccc(NC(=O)N2CC(CC3CC3)C2)cc1 621437484 UDYQLCDKWSJCAP-UHFFFAOYSA-N 365.433 3.842 0 40 FHAB OCCNc1nc2ccccc2n1CCOc1ccc(Cl)cc1Cl 656855851 DQRHSXYMFPMMQG-UHFFFAOYSA-N 366.248 3.826 0 40 FHAB O=C(/C=C/c1ccco1)N1CCN(c2nc(-c3ccsc3)cs2)CC1 96099866 KGJLTIJCYJXQHA-ONEGZZNKSA-N 371.487 3.827 0 40 FHAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(Oc2ccccn2)CC1 96024705 LYMIMGUSWDYCIN-UHFFFAOYSA-N 366.339 3.664 0 40 FHAB CC(=O)N1CCC[C@H](NCc2cccc(F)c2)[C@@H]1Cc1cccc(C)c1 585285787 MSQPYTNVPLDYLX-VXKWHMMOSA-N 354.469 3.846 0 40 FHAB CN1CCN(c2c(CNCc3ccco3)c(Cl)nc3ccccc23)CC1 5017430 OBBQFXLLAQGGHL-UHFFFAOYSA-N 370.884 3.523 0 40 FHAB CN(C)c1ccc(C2=NNC(c3ccncc3)=Nc3ccc(F)cc32)cc1 5445254 XMWXTYBZFCRUJZ-UHFFFAOYSA-N 359.408 3.721 0 40 FHAB Cc1ccccc1C1(O)CCN(C(=O)Cn2ccc3ccc(F)cc32)CC1 12290353 CXMRXPVRZNWINK-UHFFFAOYSA-N 366.436 3.599 0 40 FHAB COc1ccc(NC(=S)NNC(=S)Nc2c(C)cc(C)cc2C)cc1 13547419 AMQFCKVVFUBIBF-UHFFFAOYSA-N 374.535 3.808 0 40 FHAB COc1cc(N[C@@H](C)CCCN[C@@H]2CN3CCC2CC3)c2ncccc2c1 19364692 XZCBNFPCVYRZNI-HRAATJIYSA-N 368.525 3.508 0 40 FHAB CCC(=O)N1CCC[C@](Cc2cccc(-c3cccc(C)c3)c2)(C(N)=O)C1 19498628 RNAQPQOPPVJGOS-HSZRJFAPSA-N 364.489 3.709 0 40 FHAB Cc1cccc2c(C(=O)N[C@@H](C)CN3CCCC3)cc(-c3cccnc3)nc12 19716694 KHMOXHQRLOXPNL-KRWDZBQOSA-N 374.488 3.819 0 40 FHAB Cc1cccc(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)c1C 19937595 UMZMNYWQMNKTPC-UHFFFAOYSA-N 367.836 3.888 0 40 FHAB O=C(CCC1CCCC1)Nc1c2c(nn1-c1ccccc1)C[S@@](=O)C2 4105618 NWPSIWBKWFTVNY-RUZDIDTESA-N 357.479 3.544 0 40 FHAB COc1c(C)cccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CN)CC1 257259336 KXVXIPDWBXKBDR-MBOZVWFJSA-N 367.493 3.635 0 40 FHAB C[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 17743846 CTUMZPVNCUCTOW-NSHDSACASA-N 352.843 3.626 0 40 FHAB CCc1noc(CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)n1 22751298 UERGXRQVXRQBSN-UHFFFAOYSA-N 366.450 3.999 0 40 FHAB O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)c1cncc(Br)c1 29607602 MUVSBRUJFNROCF-QWRGUYRKSA-N 351.166 3.695 0 40 FHAB CC(=O)N1CCN(C2CCCCC2)C[C@@H](Cc2cccc3ncccc23)C1 2037838727 YSRHNBAIMLMSBT-IBGZPJMESA-N 365.521 3.890 0 40 FHAB COc1cccc(C(=O)N2CCN=C2SCc2cccc(C)c2)c1OC 4120193 QOZVATBZNBSCGN-UHFFFAOYSA-N 370.474 3.757 0 40 FHAB CNC(=O)c1c(NC(=O)Cc2cccc3ccccc23)sc2c1CCC2 4335447 LPUXQOIQMSCKMG-UHFFFAOYSA-N 364.470 3.931 0 40 FHAB CCN1C(=O)Cc2cc(NC(=O)Nc3cc(Cl)ccc3OC)ccc21 22506826 QIFOKRPPRWMKEQ-UHFFFAOYSA-N 359.813 3.902 0 40 FHAB O=C(NC[C@@](O)(c1ccsc1)c1ccco1)C1(c2ccc(F)cc2)CC1 245026551 NACLBDLACGROLD-HXUWFJFHSA-N 371.433 3.564 0 40 FHAB Cc1ccc(-c2nnc(CCC(=O)N3CCC[C@H]3c3ccncc3)o2)cc1 40050708 DNYKBYQLSWIXGS-SFHVURJKSA-N 362.433 3.736 0 40 FHAB CC(C)C[C@@H](NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)c1cccs1 40157307 UMBBGWIZUPAWHY-CZUORRHYSA-N 370.474 3.636 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)[C@H](C)SCc3ccccc3)ccc21 40141429 HCWFARJEQGZJIZ-AWEZNQCLSA-N 354.475 3.856 0 40 FHAB CCc1nnc(Cn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)o1 31626560 LOADSSREXAFXGL-UHFFFAOYSA-N 372.837 3.772 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)Nc2ncnc3sc4c(c23)CCC4)c1 2659377 HODTTYLCMDYDDG-UHFFFAOYSA-N 359.476 3.598 0 40 FHAB CCOC(=O)c1cc2sc(C)cc2n1CC(=O)NCCc1ccccc1 1338236 LHIUGLBENAPLCU-UHFFFAOYSA-N 370.474 3.547 0 40 FHAB COc1cccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2C)c1 1379778 YRTWIGSBZKTLCR-GOSISDBHSA-N 353.422 3.639 0 40 FHAB Cc1ccc(C)c(-n2ccnc2SCC(=O)NC2CCSCC2)c1 84147715 XMDKVZJHCYURHH-UHFFFAOYSA-N 361.536 3.593 0 40 FHAB Cc1ccc(CCC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)cc1 32901822 SFGFYUKGTVZVIJ-UHFFFAOYSA-N 351.446 3.755 0 40 FHAB O=C(Cc1ccccc1)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 6885078 WIXSNBLAMWQDAD-UHFFFAOYSA-N 356.381 3.668 0 40 FHAB COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cccc(C(C)=O)c1 7428442 QPLSVSBFHJGLGT-UHFFFAOYSA-N 353.827 3.660 0 40 FHAB CCc1nnc2c(NCCCN3CCCC[C@H]3CC)nc3ccccc3n12 7504205 BSXNCMVFUBYZRJ-MRXNPFEDSA-N 366.513 3.906 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)COc2ccccc2OCC)c1 7791815 IUAMCRQRFAVSTB-UHFFFAOYSA-N 359.422 3.900 0 40 FHAB COc1ccccc1N1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1 7910163 NPZSUVNWQQTGNM-UHFFFAOYSA-N 350.462 3.536 0 40 FHAB CCOc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)OCCO3)cc1OCC 8294736 PFACPKUVJCZYCQ-CQSZACIVSA-N 371.433 3.746 0 40 FHAB COc1ccc(OC)c(NC(=O)Nc2cnn(Cc3ccccc3C)c2)c1 8571170 DIWLFHUVJIOZOG-UHFFFAOYSA-N 366.421 3.901 0 40 FHAB COc1ccc(/C=C\C(=O)OC/C=C\c2ccc3c(c2)OCO3)cc1OC 8615840 GWCFZONHXDRLLR-ZJSQCTGTSA-N 368.385 3.702 0 40 FHAB Cc1cccc([C@H]2N=C(Nc3ccc(C)c(C)c3)Nc3nc(C)cc(=O)n32)c1 105330313 UKLPDMWLVOUZTN-FQEVSTJZSA-N 373.460 3.917 0 40 FHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 667679 RZVDDVZGQOHPIH-UHFFFAOYSA-N 353.827 3.544 0 40 FHAB O=C(/C=C/c1cccc(Cl)c1)NCC1(N2CCOCC2)CCCCC1 22375360 LLGKAMBWLFDMKX-BQYQJAHWSA-N 362.901 3.505 0 40 FHAB CC[C@H]1CCc2c(sc3ncn4nc([C@H](C)n5cc(C)cn5)nc4c23)C1 2803479 DPSFTDMITHKXLU-STQMWFEESA-N 366.494 3.968 0 40 FHAB N=C(Nc1ccc(Oc2ccccc2)cc1)Nc1nc2c(c(=O)[nH]1)CCC2 9969131 FIAPINPRSOJQGA-UHFFFAOYSA-N 361.405 3.510 0 40 FHAB CCCCCc1ccc(NC(=O)Cn2nc(-c3cccs3)oc2=O)cc1 23003707 BGRNVTKWCGYLPQ-UHFFFAOYSA-N 371.462 3.936 0 40 FHAB Cn1c(C(=O)NCCCn2cnc3ccccc32)cc(Cl)c1Cl 47429813 KDFMMOHAMOCKMF-UHFFFAOYSA-N 351.237 3.502 0 40 FHAB O=C(Nc1cccc(COC[C@H]2CCCCO2)c1)N1CCCSCC1 75766617 NMGVQZOTBACLRI-GOSISDBHSA-N 364.511 3.743 0 40 FHAB COc1ccccc1OCCNC(=O)Nc1ccc(OC(F)(F)F)cc1 43192576 NCNYBJNOOHTRMU-UHFFFAOYSA-N 370.327 3.794 0 40 FHAB CCCCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 12541824 ARGUURDSHYMSIQ-UHFFFAOYSA-N 360.479 3.750 0 40 FHAB C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccccc1Cl 12589392 PZFWDJHHWTYGTP-CYBMUJFWSA-N 357.841 3.906 0 40 FHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)CCc1nc(-c3cccnc3)no1)C2 107331432 GNAYGCRYWQXYLB-AVYPCKFXSA-N 355.438 3.822 0 40 FHAB CC(=O)c1ccc(OCC(=O)Nc2ccc(C)cc2Br)cc1 3270494 HTFPLFZFQXHAFF-UHFFFAOYSA-N 362.223 3.978 0 40 FHAB Cc1cc(=O)n(CC(=O)Nc2ccccc2)c(-c2cccc(Cl)c2)n1 57526853 AVKYRGZKBSHKEN-UHFFFAOYSA-N 353.809 3.511 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1cccc(C)c1C 24218250 AQOXJIVOBSOHNT-HNNXBMFYSA-N 354.450 3.849 0 40 FHAB CC(=O)Nc1ccc(CNC(=O)NCc2cccc(C(F)(F)F)c2)cc1 29316877 RGWFWTRBCFQGBD-UHFFFAOYSA-N 365.355 3.663 0 40 FHAB CCOc1ccccc1-c1nnc(SCC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)o1 100413320 YKMYAFJFYHFJAB-NFAWXSAZSA-N 373.478 3.532 0 40 FHAB CCOC(=O)CN(CC(F)(F)F)C(=O)Cc1coc2c(C)c(C)ccc12 58003847 HMRIGNYESRUFFZ-UHFFFAOYSA-N 371.355 3.546 0 40 FHAB O=C(Nc1cccc(Cl)c1)c1cnc2sc3c(n2c1=O)CCCC3 10327347 KXWWSBUSKUPZLF-UHFFFAOYSA-N 359.838 3.541 0 40 FHAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ncccc3O)c12 44948868 ZRRQWGMSDZNJOG-UHFFFAOYSA-N 365.437 3.725 0 40 FHAB COc1ccc(Cl)cc1CC(=O)Nc1ccc(-n2nc(C)cc2C)nc1 36397423 XPHXPXPJGVVPSI-UHFFFAOYSA-N 370.840 3.727 0 40 FHAB CCC[C@@H](c1nnnn1C(C)(C)CC)N1CCN(C2CCCCC2)CC1 22928746 MKMSPXRTXAXRHZ-SFHVURJKSA-N 362.566 3.610 0 40 FHAB C[C@@H](NC(=O)C[C@H]1C=CCC1)c1cc2c(cc1Br)OCCO2 48354809 WEZBOCCIDGBOEM-NEPJUHHUSA-N 366.255 3.754 0 40 FHAB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(C(=O)O)cc3)C2=O)cc1 6009194 GOUNDEQWHCEWNU-YBEGLDIGSA-N 353.399 3.930 0 40 FHAB CCn1nc(C(=O)N(Cc2ccco2)c2ccccc2)c2ccccc2c1=O 8944590 UNLPQQSOJCJBJK-UHFFFAOYSA-N 373.412 3.856 0 40 FHAB C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2cccc(NC(=O)C3CC3)c2)C1 65539646 PYMXNNIMDSDOCG-JXXFODFXSA-N 369.509 3.513 0 40 FHAB Cc1cc(-c2nnc3sc(-c4ccc(Cl)cc4Cl)nn23)[nH]n1 6498726 KRTGAVXTNVIROC-UHFFFAOYSA-N 351.222 3.858 0 40 FHAB C[C@@H](Cc1nnc(NS(=O)(=O)Cc2ccccc2)s1)c1ccccc1 9095395 PXHJXLJFMGVLAC-AWEZNQCLSA-N 373.503 3.826 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)CNc1cccc2c1CCCC2 9220814 UJGJFEYZEZJTBW-UHFFFAOYSA-N 352.434 3.793 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1ccc(Cl)cc1 7068485 JZZOGNSWWMBWDS-LJQANCHMSA-N 354.837 3.920 0 40 FHAB Cc1ccc2c(Cn3cnc4sc(C)c(C)c4c3=O)cc(=O)oc2c1C 7382871 NSKYBTBYENVBDE-UHFFFAOYSA-N 366.442 3.846 0 40 FHAB COc1cc(CSc2nnc3nc(C)cc(C)n23)ccc1OC(F)F 7313494 MHLZLGXAGWUEHD-UHFFFAOYSA-N 366.393 3.643 0 40 FHAB CC(C)(C)OC(=O)NC1CCN(Cc2cccc(Br)c2)CC1 67800807 NTAWGZLWRPOORU-UHFFFAOYSA-N 369.303 3.938 0 40 FHAB Cc1nc(NC(=O)[C@H](C)Sc2nnc(C)n2-c2ccccc2)sc1C 7458939 LJMNIKXXZXEBFY-LBPRGKRZSA-N 373.507 3.768 0 40 FHAB COc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)c(OC)c1 7447654 GPTWLWNGVFHXEV-UHFFFAOYSA-N 368.477 3.620 0 40 FHAB NC(=O)Nc1cccc(C(=O)OCc2csc(-c3ccc(F)cc3)n2)c1 7690998 RJLVLTZNPDVLBG-UHFFFAOYSA-N 371.393 3.797 0 40 FHAB Cc1nc(C(=O)Nc2cccc(C(=O)c3nccn3C)c2)c(C(C)C)s1 96118317 JBDSUAHTAAROKJ-UHFFFAOYSA-N 368.462 3.792 0 40 FHAB COc1ccc(N2C[C@@H](c3nc(-c4ccccc4Cl)no3)CC2=O)cc1 9318345 DLTJYSXIYRQSAE-LBPRGKRZSA-N 369.808 3.919 0 40 FHAB CCOc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c(OCC)cc1C 16780068 QYFILAGRULHCMS-HIFRSBDPSA-N 355.500 3.649 0 40 FHAB C[C@H]1c2cccn2CCN1C[C@H](O)COc1ccc(-c2ccccc2)cc1 35267008 ASWMBYQABRPGKY-RXVVDRJESA-N 362.473 3.972 0 40 FHAB O=C(NCc1ccc(Br)cc1)c1cc(-c2ccc(F)cc2)[nH]n1 72328219 YZVTZYAYSQRGLK-UHFFFAOYSA-N 374.213 3.908 0 40 FHAB O=C(Nc1ccc(Oc2ccc3c(c2)N=C(O)CC3)nc1)[C@H]1CCCO1 72404730 NGXYQVKCPKTSDV-MRXNPFEDSA-N 353.378 3.526 0 40 FHAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(Nc2ncccn2)cc1 79188740 WIOXQTAGPAMTQH-UHFFFAOYSA-N 357.417 3.674 0 40 FHAB biogenic Cc1cc(C)nc(Nc2ccc(C(=O)N[C@@H]3CCOC(C)(C)C3)cc2)n1 95473544 OHSLTKOKBIKMBR-QGZVFWFLSA-N 354.454 3.524 0 40 FHAB COCc1nn2c(-c3ccc(OC)cc3O)ccnc2c1-c1ccccc1 95480465 UKORZLHPSMFWRA-UHFFFAOYSA-N 361.401 3.924 0 40 FHAB O=C(Cn1cnc2c1CCCC2)N1CCC[C@@H]1Cc1ccccc1Cl 95465195 INIPIJVODVNALW-MRXNPFEDSA-N 357.885 3.649 0 40 FHAB CCCOc1c(CNc2cc(C(=O)N(C)C)ccn2)cccc1OCC 95945594 ZKTXSLVYEUVYGM-UHFFFAOYSA-N 357.454 3.583 0 40 FHAB CC(C)C[C@H]1CCCCN1C(=O)Nc1ccccc1N1CCN(C)CC1 89821105 WFQOBVODVXCWOK-GOSISDBHSA-N 358.530 3.871 0 40 FHAB Cc1ccc(C)c(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)c1 22379289 NQCGLEFCBLPAAQ-UHFFFAOYSA-N 374.506 3.832 0 40 FHAB Cc1ccc(-c2noc(CSCC(=O)N[C@@H]3CCCC[C@H]3C)n2)cc1 36395281 SCISGHFYQVASII-GDBMZVCRSA-N 359.495 3.973 0 40 FHAB Cc1nc(Sc2oc(C=O)cc2Br)nc2c1CCCC2 408557172 NIUMHUCSRZARAV-UHFFFAOYSA-N 353.241 3.983 0 40 FHAB O=C(NCc1ccccc1Br)NC[C@@H]1CCc2ccccc21 522075427 HDFPXOVLVVAZDQ-AWEZNQCLSA-N 359.267 3.978 0 40 FHAB COc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 71618894 DUESHOUIPOUGCU-FPLPWBNLSA-N 360.406 3.909 0 40 FHAB O=C1C[C@H](c2cccc(F)c2)c2c(c(C(=O)O)cn2-c2ccc(F)cc2)N1 66087851 XTXBEHXRUGCKRQ-OAHLLOKOSA-N 368.339 3.928 0 40 FHAB COc1cccc([C@H]2C[C@H](N(C)C(=O)c3snc(O)c3Cl)C2)c1 565817151 GXDCUCSNHADMGT-XYPYZODXSA-N 352.843 3.529 0 40 FHAB Cn1nnc2cc(C(=O)N3CCCCC[C@@H]3/C=C/c3cccs3)cnc21 184586395 QAFRKHLQRAYLES-XVJNWHFHSA-N 367.478 3.523 0 40 FHAB CCN(CC)C(=O)CN1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 72348748 MNYNWZLXXWVLPU-QGZVFWFLSA-N 369.484 3.936 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)c1 40088094 XWKFQUQGKKETMS-LJQANCHMSA-N 372.396 3.755 0 40 FHAB CCn1nc(C)c2nc(C(C)C)nc(N3CCN(c4ccccc4)CC3)c21 226688502 JWQQXQONQLPLMG-UHFFFAOYSA-N 364.497 3.605 0 40 FHAB CCn1c(C)cc(C(=O)O[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1C 49574130 QYNYYQXUNQMTKE-HOCLYGCPSA-N 354.450 3.648 0 40 FHAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 223094128 ZAVDAPTYNGCZGH-IBGZPJMESA-N 366.505 3.871 0 40 FHAB O=C(CCc1ccc(Cl)cc1Cl)NC[C@H]1COc2ccccc2O1 225283839 PJZMRLHKKSXGLV-AWEZNQCLSA-N 366.244 3.882 0 40 FHAB O=C(CCNC(=O)c1ccc2sc(Cl)nc2c1)Nc1ccccc1 225978876 KJXZAOXYRLMQFM-UHFFFAOYSA-N 359.838 3.708 0 40 FHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCN(c2ccccc2)CC1 195564219 CWCFAXAWBDHHTJ-NRSPTQNISA-N 358.526 3.813 0 40 FHAB Cc1cccc(OC2CCN(C(=O)CSc3ccc(F)cc3)CC2)n1 96119527 WBQHBQSSKKOCBO-UHFFFAOYSA-N 360.454 3.691 0 40 FHAB Cc1ccsc1C(=O)N1CC[C@@]2(CCCN(Cc3nccs3)C2)C1 96215793 VSFXZSDDMXNFER-GOSISDBHSA-N 361.536 3.641 0 40 FHAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)c(Cl)c1 96344842 MHYKGVBPABXXAA-LBPRGKRZSA-N 368.824 3.516 0 40 FHAB Cc1ccc(CN2Cc3cccn3[C@@H](CCOCC3CCOCC3)C2)o1 248052921 BLSMRTOYAXCJDU-FQEVSTJZSA-N 358.482 3.780 0 40 FHAB O=C(CC1CCOCC1)N1CCC(Cc2cccc3ncccc23)CC1 257232006 GIYWUSMGRVDFNU-UHFFFAOYSA-N 352.478 3.833 0 40 FHAB C[C@H](NC(=O)c1ccc2c(c1)[C@H](CN)CCC2)c1cccc(-n2ccnc2)c1 659283811 CURNUYYCUCMTIZ-JXFKEZNVSA-N 374.488 3.742 0 40 FHAB CC(C)c1cc(N2CCO[C@H](c3ccc(Cl)s3)C2)n2ncnc2n1 1319255475 HHPRSSWCOWAVKX-LBPRGKRZSA-N 363.874 3.541 0 40 FHAB Cc1cc(S(=O)(=O)NCc2cccc(Oc3ccccn3)c2)ccc1F 96382754 IAKOCPWAHRAPNV-UHFFFAOYSA-N 372.421 3.800 0 40 FHAB CC(C)CN1Cc2ccccc2CC2(CCN(C(=O)OC(C)C)CC2)C1=O 585105896 WWOAMGNENIHEJY-UHFFFAOYSA-N 372.509 3.855 0 40 FHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CC2(CCC2)c2c(F)cccc21 586809597 KSUQXHRDPGAIGC-UHFFFAOYSA-N 373.449 3.620 0 40 FHAB COc1cc(Oc2ccccc2)ccc1NC(=O)N1C[C@H]2COC[C@H]2C1 639865855 WAWJQRQARKPHSK-GASCZTMLSA-N 354.406 3.598 0 40 FHAB O=C(CCn1cncn1)Nc1ccc(Cc2nc3ccccc3s2)cc1 12791215 KTEFLCQIWRMWID-UHFFFAOYSA-N 363.446 3.507 0 40 FHAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2C)cc1C 13070230 BBAFHMXBIFVSBI-UHFFFAOYSA-N 360.479 3.551 0 40 FHAB CCc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 14001194 PKWOEKMKFFGPAU-UHFFFAOYSA-N 366.461 3.893 0 40 FHAB O=C(c1ccccc1-c1ccccc1)N1CCC[C@H]1c1ccnc2ncnn12 19374241 PAINLJRZLJEJQK-IBGZPJMESA-N 369.428 3.769 0 40 FHAB Cc1noc2nc([C@@H]3CCCN(C(=O)[C@@H]4C[C@H]4C)C3)cc(C(F)(F)F)c12 19563779 RPBFQADZXMQREJ-YUSALJHKSA-N 367.371 3.912 0 40 FHAB CC(=O)Oc1c(C)s/c(=N\c2ccc(Cl)cc2Cl)n1C(C)=O 5375728 DZVQGZWHJYAWNN-VKAVYKQESA-N 359.234 3.983 0 40 FHAB COC(=O)/C(=C\C=C(c1ccccc1)c1ccccc1)N(C(C)=O)C(C)=O 1610284 KNDGHRKWNYSDIS-RCCKNPSSSA-N 363.413 3.570 0 40 FHAB CNC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1[C@@H]1CCC[C@H](C)[C@H]1C 34884179 ISZZNILOTVTRHA-QDEZUTFSSA-N 373.522 3.620 0 40 FHAB O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1nccs1 2723700 XGHVQWNDAYXCQB-UHFFFAOYSA-N 350.856 3.713 0 40 FHAB COc1cc2nc(NC(=O)CCOc3ccccc3)sc2cc1OC 5187337 WJCVCWZMVUZREN-UHFFFAOYSA-N 358.419 3.721 0 40 FHAB Cc1ccc(NC(=O)CSc2nccn(-c3cccc(C)c3)c2=O)cc1 7615761 NCSLJKVNJDUFAS-UHFFFAOYSA-N 365.458 3.580 0 40 FHAB O=C(Cc1ccc(Cl)s1)Nc1nc2cc3c(cc2s1)OCCO3 10061245 PDFZCDJNIJWSLS-UHFFFAOYSA-N 366.851 3.964 0 40 FHAB O=C(COc1ccc(F)cc1)NCc1cc(-c2ccc(Cl)cc2)on1 12235679 CBNAWDQHRAKCQU-UHFFFAOYSA-N 360.772 3.829 0 40 FHAB COc1nn(C)cc1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 36689005 GMZNEMJLDNDDPV-UHFFFAOYSA-N 364.430 3.958 0 40 FHAB O=C(CCCC(=O)c1ccccc1)NCc1nccnc1-c1cccs1 575619250 BKFJBPFBUQBKEB-UHFFFAOYSA-N 365.458 3.875 0 40 FHAB O=c1ccc(-c2ccc(Br)cc2)nn1Cc1cccc(F)c1 5397931 FMEOEGAAFGDASZ-UHFFFAOYSA-N 359.198 3.860 0 40 FHAB C[C@H]1CCCN([C@@H](C)CNc2cc(C(=O)NC3CC3)c3ccccc3n2)C1 71954270 WUIWBBNAEYYXBX-HOTGVXAUSA-N 366.509 3.659 0 40 FHAB CCCC(=O)N1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)ccc1OC 6263775 IANYHQRAMXZNHN-DZFGPLHGSA-N 361.482 3.699 0 40 FHAB biogenic Cc1ccc(Oc2ccccc2NC(=O)[C@H]2CC(=O)N(C(C)C)C2)cc1 40073598 VSPSZBPLCSOXGK-INIZCTEOSA-N 352.434 3.983 0 40 FHAB COc1cccc(CO[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)nc2)c1 40093339 HPUANWRFOKEFMI-INIZCTEOSA-N 369.465 3.624 0 40 FHAB O=C(Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1)[C@H]1CCCO1 30175869 VTXVWQCXLRPMAU-FRXJQHJJSA-N 368.477 3.959 0 40 FHAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(OCc2cccnc2)cc1 32034025 IDEZVLKPOZDJFV-UHFFFAOYSA-N 362.385 3.684 0 40 FHAB COc1cc2c(cc1NC(=O)NCCCN1CC=CC1)oc1ccccc12 101533018 DCUSPCJXDWYRKA-UHFFFAOYSA-N 365.433 3.978 0 40 FHAB CC(C)(C)NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 918391 SOJTWVFECLBLEK-SKDRFNHKSA-N 356.348 3.665 0 40 FHAB Cc1ccc([C@H](OC(=O)c2ccco2)C(=O)NCc2ccc(F)cc2)cc1 1381039 RKLDRFSALMUNTR-IBGZPJMESA-N 367.376 3.942 0 40 FHAB CC[C@@H](C)[C@@H](C(=O)NCc1cccc(F)c1)N1Cc2ccccc2C1=O 41128103 SXSJTFUUNYQOKI-KUHUBIRLSA-N 354.425 3.513 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2ccc(Cl)s2)c1C 3287320 KSOGZWLQEOPPHD-UHFFFAOYSA-N 369.826 3.563 0 40 FHAB Cc1ccc(C(=O)NC2CCN(C(=S)Nc3ccccc3C)CC2)cc1 4857672 KCXBPXWSVFKGPA-UHFFFAOYSA-N 367.518 3.895 0 40 FHAB COc1cc([C@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2C)ccc1O 4909328 CEDAKRBEJLEVMY-SFHVURJKSA-N 369.808 3.619 0 40 FHAB Cc1cc2oc(=O)cc(C)c2c2c1C(=O)C[C@@H](c1ccc3c(c1)OCO3)O2 12296565 OFVPAADORHJSSN-HNNXBMFYSA-N 364.353 3.845 0 40 FHAB biogenic Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](CC(C)C)[C@H]3C2=O)c1 102726036 KBXOHNGGERDOMT-XUVXKRRUSA-N 364.445 3.720 0 40 FHAB CCc1c(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cnn1-c1ccccn1 8715259 PQQDFMAAAVTFEQ-ZDUSSCGKSA-N 354.841 3.974 0 40 FHAB Clc1ccc(-c2nnc(Nc3ccc(N4CCOCC4)cc3)[nH]2)cc1 8904544 HARLYHXGUDNOOZ-UHFFFAOYSA-N 355.829 3.705 0 40 FHAB O=C(CCn1ncc(=O)c2ccccc21)Nc1ccc(Cl)c(Cl)c1 52930871 JTHRCSQFYWEZIU-UHFFFAOYSA-N 362.216 3.732 0 40 FHAB CC(C)(C)c1nc2cc(NC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)ccc2o1 33216094 JJPCLMXAAMMWAR-DJJJIMSYSA-N 373.478 3.518 0 40 FHAB Cc1ccc(C(=O)CN2CCC3(CC2)CC(=O)c2cc(C)ccc2O3)cc1 57823042 QEOWMOLQTBFQTK-UHFFFAOYSA-N 363.457 3.986 0 40 FHAB CC[C@@H](C)C(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1 42036598 FTEVEPTXLREQKX-NEPJUHHUSA-N 354.376 3.500 0 40 FHAB CCOC(=O)N[C@@]1(C(Cl)(Cl)Cl)Oc2ccc(Cl)cc2O1 721018 HAURKXAZNFVGAW-NSHDSACASA-N 361.008 3.881 0 40 FHAB COc1ccc(C[C@@H]2CCCN2C(=O)c2ccc(F)c(NC(C)=O)c2)cc1 54097907 RMPOOLRLDYAXMB-KRWDZBQOSA-N 370.424 3.640 0 40 FHAB COc1ccccc1C(=O)Nn1c(CCC(=O)O)ccc1-c1ccccc1 1074168 YDHDIFSJPQTONK-UHFFFAOYSA-N 364.401 3.565 0 40 FHAB COC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(C(C)(C)C)cc1 1100563 ARLFCGIZWHGZAL-WBMJQRKESA-N 372.490 3.806 0 40 FHAB Cc1cc2ccccc2n1CC(=O)N(C)Cc1cnn(Cc2ccccc2)c1 24396020 IGSIZMBNVKPMAD-UHFFFAOYSA-N 372.472 3.853 0 40 FHAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCCc1ccc(F)cc1 21306180 JWOSPFRAYPPWMO-UHFFFAOYSA-N 356.372 3.911 0 40 FHAB C[C@](O)(CS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1Cl 1388751 QYLPAGWWYRPQPD-INIZCTEOSA-N 359.274 3.816 0 40 FHAB COc1ccc(C(C)=O)cc1CSCC(=O)Nc1nc2ccccc2[nH]1 12530753 JBYMWSHYNHGTQC-UHFFFAOYSA-N 369.446 3.646 0 40 FHAB O=S(=O)(c1cc(Cl)c(Cl)cc1Br)N1CCCCC1 54363489 QVSRIHBOYUMIDZ-UHFFFAOYSA-N 373.099 3.931 0 40 FHAB CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)O[C@H](C)c2nnc(C)o2)CC1=O 107346173 QCJBVKXZOLZSPX-GUTXKFCHSA-N 371.437 3.549 0 40 FHAB O=C(NC1CC1)[C@@H](NCc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 57611526 FIEQZMVZPHFWPS-KRWDZBQOSA-N 366.358 3.954 0 40 FHAB CN(Cc1cccc(Cl)c1)C(=O)CCc1nnc(-c2ccccc2)o1 21916434 KIMSHUMFVAQXQN-UHFFFAOYSA-N 355.825 3.981 0 40 FHAB CCN(CC)c1ccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cn1 58136991 SWUNBHLHAAGLQF-UHFFFAOYSA-N 352.442 3.506 0 40 FHAB CN(C)[C@@H](CNC(=O)c1ccc(COc2ccccc2)o1)c1cccs1 27675640 NBAWVJHRBGZXRU-KRWDZBQOSA-N 370.474 3.953 0 40 FHAB COc1ccc([C@H](NC(=O)NCc2cn3ccc(C)cc3n2)C(C)C)cc1 58218793 AHRCVNYBGMYEMX-HXUWFJFHSA-N 366.465 3.848 0 40 FHAB Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1NS(C)(=O)=O 10314641 XUDWBYWVPHCKSS-UHFFFAOYSA-N 372.368 3.638 0 40 FHAB O=C(C[C@@H]1Nc2ccccc2OC1=O)Nc1cc(Cl)ccc1Cl 10325503 LOJBNXPBNWHGRV-ZDUSSCGKSA-N 351.189 3.722 0 40 FHAB COc1ccc(CCN(C)c2ncnc3c2[nH]c2ccccc23)cc1OC 2146045 AOIRXZKQQOJDKP-UHFFFAOYSA-N 362.433 3.807 0 40 FHAB biogenic Cc1ccsc1C(=O)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O 96585739 CJUIHZIPOQFBNF-SDNWHVSQSA-N 372.471 3.523 0 40 FHAB COc1ccc([C@H]2C[C@H](c3ccccc3Cl)Nc3nc(N)nn32)cc1 2381585 IPTGSUCCXCGJAI-HZPDHXFCSA-N 355.829 3.669 0 40 FHAB Cc1cccc(C)c1NC(=O)CSc1nnnn1-c1ccc(Cl)cc1 3493234 HYXLZAGLIXNMBB-UHFFFAOYSA-N 373.869 3.663 0 40 FHAB CC(=O)c1ccc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 3422839 AZNUTZVTLYLDDQ-UHFFFAOYSA-N 365.433 3.772 0 40 FHAB COC(=O)c1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1 3560671 BSFKUBRMLFETGJ-UHFFFAOYSA-N 355.173 3.764 0 40 FHAB Cc1ccc(Oc2ccc(NC(=O)C[C@@H]3CCS(=O)(=O)C3)cc2)cc1 12925267 IIFLOEAKJBOHKP-HNNXBMFYSA-N 359.447 3.551 0 40 FHAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1cccc(Cl)c1 5047221 QZFUIBDXDREDMK-UHFFFAOYSA-N 371.828 3.853 0 40 FHAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccco2)N1Cc1cccnc1 8845476 NJSXREJZIMTOSN-HXUWFJFHSA-N 372.384 3.516 0 40 FHAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC)c(OC)c2)N3)C1 4555611 GWZQJWDMZOPWFO-KRWDZBQOSA-N 373.478 3.572 0 40 FHAB O=C(NCc1cccs1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 6508216 DYQWDOXIBAMELX-AWEZNQCLSA-N 362.882 3.570 0 40 FHAB O=C(CS(=O)(=O)Cc1c(Cl)cccc1Cl)Nc1ccccc1 5555457 WUYBPXHBMVJWNK-UHFFFAOYSA-N 358.246 3.547 0 40 FHAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)NC(=S)N1 5614361 JUTITRDFPDYAIA-KRWDZBQOSA-N 372.877 3.876 0 40 FHAB Cc1ccc([C@]2(CCNCCCN3CCOCC3)CCOC(C)(C)C2)cc1 6764437 YSJQWRGABJJOQC-HSZRJFAPSA-N 374.569 3.524 0 40 FHAB Cc1ccc(-c2noc(CSc3nnc(-c4ccncc4)n3C)n2)cc1 6810754 ZGPYILCTJDRGJL-UHFFFAOYSA-N 364.434 3.528 0 40 FHAB O[C@]1(C(F)(F)F)[C@H]2CCCCC2=NN1c1nc(-c2ccncc2)cs1 4916086 ZKEVILHGHHTJSI-NHYWBVRUSA-N 368.384 3.822 0 40 FHAB COc1ccc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccc(C)cc2)cc1F 16136528 BIAHIEOZOCONLW-GOSISDBHSA-N 373.424 3.956 0 40 FHAB CN(CCc1ccccc1F)C(=O)c1cnn2c(-c3ccccc3)ccnc12 68572286 WKNFUKFJAYBBCC-UHFFFAOYSA-N 374.419 3.850 0 40 FHAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N(C)Cc1ccc(Cl)cc1Cl 16378462 CKRWSEWFGOMXBV-GFCCVEGCSA-N 369.296 3.803 0 40 FHAB COc1ccccc1NC(=O)CN(C)Cc1ccccc1Br 9384849 LEVSTSPKOBCBEE-UHFFFAOYSA-N 363.255 3.528 0 40 FHAB COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCCC2)cc1 8279809 XQUVAVROIXINFS-UHFFFAOYSA-N 361.445 3.843 0 40 FHAB Cc1ccc(F)cc1NS(=O)(=O)c1ccc(Br)c(F)c1 95067906 MDOINHWWFXHNHA-UHFFFAOYSA-N 362.195 3.837 0 40 FHAB O=C(Nc1ccc(-c2ccccc2)cn1)c1ccc(N2C(=O)CCC2=O)cc1 84562683 SHPYQPMIQOVPHE-UHFFFAOYSA-N 371.396 3.654 0 40 FHAB O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)/N=c1\[nH]nc2ccccn12 84606645 FKODLEWCCQMEBA-PKNBQFBNSA-N 364.405 3.671 0 40 FHAB C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1cnc(-c2cnn(C)c2)s1 95455928 IEESCTWTZYETTD-VXGBXAGGSA-N 370.453 3.831 0 40 FHAB c1coc(CN2CCO[C@@H](c3nnn4cc(-c5cccs5)ccc34)C2)c1 306139093 SPDKEEDYXDPGLV-QGZVFWFLSA-N 366.446 3.624 0 40 FHAB O=C(Cc1csc(-c2cccnc2)n1)Nc1ccc2c(c1)OCCCO2 9914544 ZASHIQBVYZHOQU-UHFFFAOYSA-N 367.430 3.548 0 40 FHAB COC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)c3cccc4cccc2c34)cc1 408548181 QGPQVUUMIHPNEG-ZDUSSCGKSA-N 374.396 3.614 0 40 FHAB O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)[C@H]1CCCc2nc[nH]c21 548084195 PQDWRHQDHXDWDW-ZDUSSCGKSA-N 374.416 3.794 0 40 FHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1csc(-c2ccsc2)n1 39995440 GZFQRUMNFXTUCC-CYBMUJFWSA-N 372.471 3.784 0 40 FHAB CSc1ccccc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 33471475 FWRKMAIWSLGGST-JXMROGBWSA-N 352.503 3.880 0 40 FHAB C[C@H](CCN1CC[C@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1)c1ccccc1 36719529 NBDFZZHBQPJTOU-MJGOQNOKSA-N 374.488 3.815 0 40 FHAB COc1cc([C@@H]2CC(O)=Nc3c2cnn3C(C)(C)C)cc(OC)c1OC 49545163 CWLRZERQGPWVNU-LBPRGKRZSA-N 359.426 3.788 0 40 FHAB Nc1nc(-c2cccc(Br)c2)cc(-c2ccc3c(c2)OCO3)n1 71978045 RBJKPXYKYMAGCP-UHFFFAOYSA-N 370.206 3.884 0 40 FHAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 222868080 YXTZNVVIADVEGI-RBUKOAKNSA-N 366.490 3.907 0 40 FHAB Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CCN(C(=O)NC1CCCCC1)C2 225488406 MKFIOOJNCXIZTL-KRWDZBQOSA-N 357.454 3.568 0 40 FHAB biogenic,in-vitro COc1ccc(CCC(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1C 223121707 ZTEKPUWMWUQFLN-UHFFFAOYSA-N 365.433 3.645 0 40 FHAB CCOC(=O)c1cccc(NC(=S)NCCCOC2CCCCC2)c1 225617914 PUQQHFWPKKWWLU-UHFFFAOYSA-N 364.511 3.889 0 40 FHAB O=C(CSC1CCCC1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225728540 IMPYCHFYIADZHH-ZDUSSCGKSA-N 374.428 3.756 0 40 FHAB CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc2c(c1)OCCO2 224838134 PFIDMVUYLXDZIX-UHFFFAOYSA-N 361.463 3.598 0 40 FHAB COc1ccc(C(=O)Oc2cccc3ccc(C)nc23)c(OC)c1OC 48289544 GJNRNINRBARYLC-UHFFFAOYSA-N 353.374 3.788 0 40 FHAB COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1OC 96586421 URDHOWOUZQFAIS-AWEZNQCLSA-N 355.434 3.989 0 40 FHAB Cc1cc(C)cc(C(=O)N2CCC3(CC2)CO[C@H](COCC2CC2)C3)c1 96106001 WGQHHONNABRAEV-FQEVSTJZSA-N 357.494 3.741 0 40 FHAB COc1ccc(-c2[nH]nc(C)c2CC(=O)N2CCc3ccccc3C2)cc1 95477937 VHHMVSDFMUREGB-UHFFFAOYSA-N 361.445 3.521 0 40 FHAB Cc1ccc(CN2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)o1 248059840 CVVMBBBQWHFGPD-SFTDATJTSA-N 356.466 3.571 0 40 FHAB Cc1cc(C)cc([C@H](O)CNC(=O)c2ccc(F)c(COCC3CC3)c2)c1 585080253 UAPGDDDHHFEYIQ-OAQYLSRUSA-N 371.452 3.833 0 40 FHAB CCN(C(=O)c1cccc(C(=O)O)c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 564955419 WXVPCQOHHMKRSP-OXQOHEQNSA-N 366.461 3.682 0 40 FHAB CC(=O)c1ccc(NC(=S)NC[C@H]2CCN(c3ccccc3)C2)cc1 44135031 QJOWIWYPLMDEQH-MRXNPFEDSA-N 353.491 3.702 0 40 FHAB Clc1ccccc1-c1nnc(CN2CCN(c3ccccc3)CC2)o1 57315518 RCJSVLQWOMNCOP-UHFFFAOYSA-N 354.841 3.712 0 40 FHAB C[C@@H](NC(=O)NC1CCCCCCC1)c1ccc(S(C)(=O)=O)cc1 54103453 PYCLUWDTCJNOMI-CQSZACIVSA-N 352.500 3.563 0 40 FHAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2c(C)[nH]c3ccccc23)C1=O 7077943 PFXGHMHISTXNJB-UJFYRASASA-N 372.446 3.854 0 40 FHAB NS(=O)(=O)c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1 5683697 ISFHXWRAWMHWNA-UHFFFAOYSA-N 368.414 3.671 0 40 FHAB Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)[nH]n2)o1 12116099 JTCJUHDKTLGTON-QGZVFWFLSA-N 361.405 3.832 0 40 FHAB CN(C(=O)Cn1c(C2CCOCC2)cc2cccnc21)C1CCCCC1 12222408 AAQQYMTXHIADQF-UHFFFAOYSA-N 355.482 3.721 0 40 FHAB Cc1ccc(C(=O)Nc2ccnn2Cc2ccccc2Br)cn1 12999675 CJGKYOHHORCAPS-UHFFFAOYSA-N 371.238 3.650 0 40 FHAB CC1CCN(CCCNC(=O)CSCc2ccccc2Cl)CC1 13675257 QZULYEBYUPQUPO-UHFFFAOYSA-N 354.947 3.811 0 40 FHAB CCOc1ccc(Oc2cc(CNC(=O)N3CC[C@H]4C[C@H]4C3)ccn2)cc1 663752143 FICWSHUDSNDZRP-IRXDYDNUSA-N 367.449 3.824 0 40 FHAB O=C(/C=C/c1ccc(Br)o1)OCC(=O)c1c[nH]c2ccccc12 3446010 SAKWZWKEEHFJJR-SOFGYWHQSA-N 374.190 3.963 0 40 FHAB CCn1c(S[C@@H](C(=O)N(C)C)c2ccccc2)nnc1-c1cccs1 6842673 LPRRJRDDYFABMQ-OAHLLOKOSA-N 372.519 3.948 0 40 FHAB CC(C)(C)c1nc2ccccc2n1C1CN(C(=O)c2ccncc2F)C1 1889205661 OWAZYARGENZRPW-UHFFFAOYSA-N 352.413 3.565 0 40 FHAB C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1ccc(OC(F)(F)F)cc1 31953548 QBJHSKYDNFVYJS-SNVBAGLBSA-N 353.296 3.805 0 40 FHAB Cc1ccccc1-c1noc(-c2nnn(-c3cccc(Cl)c3C)c2N)n1 6868231 MWSXPBIANOZTMB-UHFFFAOYSA-N 366.812 3.837 0 40 FHAB O=C(COc1ccc(Cl)cc1)NCCOc1cccc(C(F)(F)F)c1 23142493 DVKMDBYJKUMTNK-UHFFFAOYSA-N 373.758 3.933 0 40 FHAB O=c1ccc(-c2cccc(Cl)c2)nn1Cc1nc(-c2cccs2)no1 23126865 SAMLDUMYQGYALO-UHFFFAOYSA-N 370.821 3.724 0 40 FHAB CCOC(=O)c1oc2ccccc2c1NC(=O)COc1ccccc1F 4162677 UTYATFSPAVUKNQ-UHFFFAOYSA-N 357.337 3.766 0 40 FHAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(OC)cc1OC 4162598 YVZPLBVYBWCHJD-UHFFFAOYSA-N 369.373 3.879 0 40 FHAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Oc1cc(Cl)ccc1Cl 13307186 GHPDVEMSSPGLDG-UHFFFAOYSA-N 361.202 3.768 0 40 FHAB CC(C)(C)C(=O)Nc1ccc(OCC(=O)O)c(-c2nc3ccccc3o2)c1 20157738 WEFHODRIVHYJJQ-UHFFFAOYSA-N 368.389 3.943 0 40 FHAB C[C@@H]1CCCN(CCCCNC(=O)Nc2cccc(OC(F)F)c2)C1 40120493 NNAMEMYCWOHNON-CQSZACIVSA-N 355.429 3.922 0 40 FHAB C[C@@H](NC(=O)CCNC(=O)c1ccc(F)cc1Cl)c1cccc(F)c1 40130435 OLIPXJQKWVPBDP-LLVKDONJSA-N 366.795 3.616 0 40 FHAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(C)c(C)c2)nn1 32104825 HMEZMBDAHAMULF-OAHLLOKOSA-N 363.421 3.720 0 40 FHAB Cc1sc(NC(=O)c2ccccc2)nc1-c1ccc2c(c1)NC(=O)CO2 11904317 HOFQDKLZCIHBLV-UHFFFAOYSA-N 365.414 3.702 0 40 FHAB CCn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)OC(C)C 917337 ADPZILRARDDFMF-UHFFFAOYSA-N 368.890 3.607 0 40 FHAB O=C(Nc1cccnc1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 918254 YPLZGYNSJVDXOC-UHFFFAOYSA-N 373.294 3.655 0 40 FHAB Cc1nnc(S[C@H](C)C(=O)Nc2ccccc2)n1CCc1ccccc1 923698 RRHHOAZVGRYULZ-OAHLLOKOSA-N 366.490 3.949 0 40 FHAB Cc1cc2cc3c(cc2nc1SCC(=O)N1CCC[C@@H](C)C1)OCCO3 928328 KSXSTIFHYVCDGQ-CYBMUJFWSA-N 372.490 3.665 0 40 FHAB CNC(=S)N(Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 931831 HSDQRGWVCJNKCS-UHFFFAOYSA-N 365.502 3.651 0 40 FHAB CCCc1nc(SCC(=O)NCc2ccccc2)c2ccccc2n1 1342728 HONCPKFNZQOMNM-UHFFFAOYSA-N 351.475 3.991 0 40 FHAB CCOC(=O)C(C(=O)OCC)[C@@H](c1ccccc1)c1ccc(OC)cc1 1632933 UTSLWUWRPCXWLK-SFHVURJKSA-N 356.418 3.570 0 40 FHAB Cc1cc(NC(=O)COC(=O)c2ccccc2F)ccc1Br 3394459 QAOMKISOGZIWMT-UHFFFAOYSA-N 366.186 3.692 0 40 FHAB COCc1cccc(C(=O)NCc2ccc(OCc3cccnc3)cc2)c1 32930346 BESUXAJLSZDGGL-UHFFFAOYSA-N 362.429 3.737 0 40 FHAB O=C(OCc1cc(=O)n2c3c(sc2n1)CCCC3)c1ccc(Cl)cc1 7165746 HQGAICYJMNMRML-UHFFFAOYSA-N 374.849 3.645 0 40 FHAB Cc1cccc(OCC(=O)NCc2ccccc2CN2CCCCC2)c1 7696792 IMLSRBRTGPZTJI-UHFFFAOYSA-N 352.478 3.676 0 40 FHAB COc1ccccc1CNC(=O)Cc1csc(-c2cccc(C)c2)n1 8277251 SOJHPNCFKPOCGO-UHFFFAOYSA-N 352.459 3.986 0 40 FHAB COc1cccc(C(=O)Nc2cccc(C(=O)Nn3c(C)ccc3C)c2)c1 8475634 RXQXKKVKDZMJDI-UHFFFAOYSA-N 363.417 3.750 0 40 FHAB CCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1cccc(C)c1 8578924 CETQZYZPEUFNLA-UHFFFAOYSA-N 350.418 3.788 0 40 FHAB CCn1c(SCc2cc(=O)n3c(C)cccc3n2)nc2ccccc21 8720075 DHSRAMQRHIKSOC-UHFFFAOYSA-N 350.447 3.665 0 40 FHAB CN(C)C(=O)c1ccc(Cl)c(NC(=O)CSCc2cccs2)c1 33173780 XWMUTZQZXVWCSQ-UHFFFAOYSA-N 368.911 3.975 0 40 FHAB COc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1OC 12221408 QJNLWCHOVOXUOK-MRXNPFEDSA-N 351.406 3.557 0 40 FHAB COCCOc1cccc(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)c1 52998298 KERWFDAQGCNFBT-CYBMUJFWSA-N 365.376 3.804 0 40 FHAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 674178 XRTKRZQPMGFFDG-UHFFFAOYSA-N 370.430 3.950 0 40 FHAB COCCCCNC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1C 47727413 HYVMJGFKODWYGG-UHFFFAOYSA-N 361.486 3.606 0 40 FHAB O=C(COc1cccc(Cl)c1)Nc1ccccc1C(=O)N1CCCC1 58102631 VZDHYMWORPYGSI-UHFFFAOYSA-N 358.825 3.594 0 40 FHAB COc1ccc(CN2CCN(C(=O)c3ccc(SC)cc3)CC2)cc1F 24601793 YCPUKWYVUBNIBX-UHFFFAOYSA-N 374.481 3.514 0 40 FHAB Cc1cc(CN(C)C(=O)c2ccccc2N(C)C(=O)c2cccs2)no1 25138419 ZJJOCSLHOPMXSG-UHFFFAOYSA-N 369.446 3.593 0 40 FHAB COc1ccc(-n2ccc(CNC(=O)c3ccc4[nH]c(C)c(C)c4c3)n2)cc1 55613836 JKJFGMKYHAHTTK-UHFFFAOYSA-N 374.444 3.909 0 40 FHAB COc1cc([C@H](C)NC(=O)Nc2ccccc2Cl)ccc1OCCO 57039060 KTSNNDVSJDMJLL-LBPRGKRZSA-N 364.829 3.602 0 40 FHAB c1ccc(CCCNCC2(c3ccc4c(c3)OCCO4)CCOCC2)cc1 1866693 PKQHUWCGCPLXJG-UHFFFAOYSA-N 367.489 3.728 0 40 FHAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(Cl)c(Cl)c1 57995359 WIRYSUJGNYONKL-MRXNPFEDSA-N 363.244 3.524 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(OC(C)C)s2)c(F)c1 58184721 ZCNHQAADMRWZTF-JTQLQIEISA-N 355.460 3.892 0 40 FHAB CCc1ccc(O)c(-c2cc(C(=O)Nc3cc(OC)ccc3OC)[nH]n2)c1 27663701 RZEHREZKKAIQFR-UHFFFAOYSA-N 367.405 3.614 0 40 FHAB Cc1noc([C@@H](C)NC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)n1 58429894 PQOKCLJIBWIDFK-YZCDNWJKSA-N 359.735 3.941 0 40 FHAB CC(C)c1ccc(CS(=O)(=O)[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)cc1 36390300 IGMHLPMTXYZCKY-MDZRGWNJSA-N 365.539 3.808 0 40 FHAB Cc1cc(OC(=O)CNNC(=S)Nc2ccccc2)ccc1C(C)C 2314726 NVANYVJPMQLPMK-UHFFFAOYSA-N 357.479 3.515 0 40 FHAB Cc1cccc(C(=O)NCC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1 11072433 MFBQWSWDBVMIPT-UHFFFAOYSA-N 373.456 3.522 0 40 FHAB O=C(COc1ccc(F)cc1Cl)Nc1cc2c(cc1Cl)OCCO2 11231868 XAGYONHEHHUYHG-UHFFFAOYSA-N 372.179 3.921 0 40 FHAB COc1cc2c(cc1OC)-c1cc(Nc3ccc(C)cc3)nc(=O)n1CC2 2428357 VZHMAKSCYFPPFA-UHFFFAOYSA-N 363.417 3.536 0 40 FHAB biogenic Cc1noc(C)c1CC(=O)N1CCC[C@@H]1c1ccc(Br)cc1 48374372 WQPRVMHQYAGVLR-MRXNPFEDSA-N 363.255 3.960 0 40 FHAB O=C(c1cccc(F)c1)N1CCC(C(=O)N2CCCc3ccccc32)CC1 12864067 IUILFVJSNBXVMI-UHFFFAOYSA-N 366.436 3.657 0 40 FHAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)CSc1ccccc1 20151162 RVIGPCROQZELFK-UHFFFAOYSA-N 351.811 3.778 0 40 FHAB CCOC(=O)c1ccc(NC(=O)CN(C)[C@@H]2CCCc3ccccc32)cc1 8126638 USPTYKLEKHYEKA-HXUWFJFHSA-N 366.461 3.811 0 40 FHAB COc1cccc(/C=C2\N=C(c3cccc(C)c3)OC2=O)c1OC(F)F 8179394 GOFUSHUMZCEBSJ-UVTDQMKNSA-N 359.328 3.950 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 12915984 OPCKAEVLLBPMJH-GFCCVEGCSA-N 358.825 3.638 0 40 FHAB Cc1cccc(CN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C2CC2)c1 63161553 VOJHHVFBWDTFJS-UHFFFAOYSA-N 365.355 3.899 0 40 FHAB Cc1cc(C)n2nc(C(=O)Oc3ccc(OCc4ccccc4)cc3)nc2n1 8315472 HXZAFQJKKMUPJN-UHFFFAOYSA-N 374.400 3.539 0 40 FHAB O=C(NCc1nnc2ccccn12)c1ccc(-c2ccc(F)cc2)s1 39975765 RUUSFKPKWYNAQQ-UHFFFAOYSA-N 352.394 3.527 0 40 FHAB Cc1ccc(CSc2nnc([C@H]3COc4ccccc4O3)n2C)cc1 14092834 FOMYBYVLJWSKLX-QGZVFWFLSA-N 353.447 3.928 0 40 FHAB CC(=O)Nc1ccccc1SCC(=O)Nc1ccc(F)c(F)c1F 409175922 DUMYKWAPDBKIBN-UHFFFAOYSA-N 354.353 3.793 0 40 FHAB Cc1ccc(S(=O)(=O)NCCc2ccc(Br)s2)cc1C 14210443 IEHKOKLBMJRFMA-UHFFFAOYSA-N 374.325 3.648 0 40 FHAB CCCN1C(=O)S/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)C1=O 409230799 GSJYDVIWDOAKFT-RVDMUPIBSA-N 356.403 3.622 0 40 FHAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccc(OC(F)(F)F)cc1 14906138 PNYVKKGOEIPCOF-AWEZNQCLSA-N 351.280 3.826 0 40 FHAB COc1cc(C(C)=O)ccc1OCCN1CCCC[C@@H]1c1cccnc1 8741486 WBPVEWGUYWTGGP-LJQANCHMSA-N 354.450 3.899 0 40 FHAB biogenic O=C(Nc1ccc(Br)cc1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 80345139 RCGYBZXQRRSJRW-CABCVRRESA-N 374.234 3.963 0 40 FHAB Cc1nnc(S[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)n1C1CC1 7617681 VNTVWEUGCNENDL-PXAZEXFGSA-N 356.495 3.596 0 40 FHAB Cc1noc(C)c1CCC(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 7778605 HZFQVDYMTUZLRH-UHFFFAOYSA-N 371.418 3.715 0 40 FHAB CCOc1ccccc1CNC(=O)CN1C(=O)c2cccc3cccc1c23 20494292 AXQHAIXEVARQPH-UHFFFAOYSA-N 360.413 3.515 0 40 FHAB CC[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(C)on1 9314700 PSTCXMKJVLDFDM-GFCCVEGCSA-N 356.300 3.576 0 40 FHAB COc1cc(Cl)ccc1C(=O)N1CCN(c2cc(C)ccc2C)CC1 72331356 AKKZTOWELBHRKL-UHFFFAOYSA-N 358.869 3.928 0 40 FHAB COC(=O)[C@@H](CNc1ncnc2sc3c(c12)CCCC3)c1ccccc1 83884293 FZEGHVRCIGYNAE-HNNXBMFYSA-N 367.474 3.939 0 40 FHAB Cc1cc(C)c2nc(NC(=O)Cn3ccc(C(F)(F)F)n3)sc2c1 9607054 BMXWSBQZGAOBFQ-UHFFFAOYSA-N 354.357 3.767 0 40 FHAB Cn1cc(-c2nnc3sc(-c4ccc(Cl)cc4Cl)nn23)cn1 79495517 IUFJNRYAWLKDAA-UHFFFAOYSA-N 351.222 3.560 0 40 FHAB Cc1noc(-c2ccccc2C(=O)NCC2(c3ccncc3)CCCC2)n1 95453165 TWHMMKWCMDNADV-UHFFFAOYSA-N 362.433 3.682 0 40 FHAB CC[C@@H](C)n1nc(NC(=O)c2ccc(NC(=O)NC(C)C)cc2)cc1C 95463307 MMCVIBWTORDSNH-CYBMUJFWSA-N 357.458 3.945 0 40 FHAB CN(C)C(=O)N1CCC(c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 95955919 NDXJDUWEBRITSX-UHFFFAOYSA-N 368.359 3.616 0 40 FHAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc3oc(=O)n(C)c3c2)c1 95959447 SEOOKYYYLRCLMW-AWEZNQCLSA-N 368.433 3.969 0 40 FHAB CCCC[C@@H](c1nnnn1C1CCCCC1)N1CCN(C2CCCC2)CC1 20121564 PPNAPUAUUJDADF-FQEVSTJZSA-N 374.577 3.970 0 40 FHAB O=C(c1cncc2ccccc12)N1CCN(c2cccc(Cl)c2)CC1 515608951 MFUBKAXERGMRJX-UHFFFAOYSA-N 351.837 3.851 0 40 FHAB O=C(Cc1cccc(F)c1)Nc1cccc(S(=O)(=O)C2CCCC2)c1 36394116 DBHOLCGLPORHLP-UHFFFAOYSA-N 361.438 3.723 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 30848990 MNXURZOEZUYUPB-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=O)c2cccc(N3CCCC3=O)c2)c1 36140932 HPUKPOCTLHKKDP-UHFFFAOYSA-N 372.808 3.506 0 40 FHAB Nc1nc(SCC(=O)N(C2=CCCCC2)C2CC2)nc2sccc12 31787884 ARYXCXCHISZIQR-UHFFFAOYSA-N 360.508 3.815 0 40 FHAB C[C@@](O)(CNC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 70639842 VULDFIWOBWNOJY-HSZRJFAPSA-N 360.457 3.983 0 40 FHAB CC(=O)c1ccc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc1 36357535 OJFONDNSDYVCSL-UHFFFAOYSA-N 363.369 3.674 0 40 FHAB CC(C)(C)OC(=O)NCCCC(=O)c1ccc(N2CCCCCC2)nc1 72216626 HOCNNZOXUJZUGY-UHFFFAOYSA-N 361.486 3.950 0 40 FHAB CC1(C)CN(C(=O)Nc2ccc(N3CCCC3=O)cc2)[C@@H]1c1ccncc1 562417221 LQEIUHAZIGAXHD-LJQANCHMSA-N 364.449 3.823 0 40 FHAB Cc1cccc(N2CCN(C(=O)Nc3cccc(OC(F)F)c3)CC2)c1 40120518 QYFORQFROWOEHW-UHFFFAOYSA-N 361.392 3.951 0 40 FHAB Cc1ccccc1-c1noc(CNC(=O)Cc2ccc(Cl)cc2F)n1 225497506 PZGFYEGSPNZVGE-UHFFFAOYSA-N 359.788 3.696 0 40 FHAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1 225423565 RNZXHRRIKXROKP-OAQYLSRUSA-N 366.505 3.605 0 40 FHAB O=C(N1CCS/C1=C/c1csc(-c2cccnc2)n1)C(F)(F)F 225263234 HWQFBCJWJZCEIF-IZZDOVSWSA-N 357.382 3.641 0 40 FHAB COc1cccc(NC2CCN(c3nc4ccccc4cc3CO)CC2)c1 80683593 AVFMSDVGCDEADM-UHFFFAOYSA-N 363.461 3.817 0 40 FHAB Cc1sc2nc(SCC(=O)N[C@H]3CCCC[C@H]3C)nc(N)c2c1C 40063005 SIRDJMLMPNWYHO-SKDRFNHKSA-N 364.540 3.677 0 40 FHAB Cc1ccc(Cl)cc1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl 223325890 IYXYMTSNTUTBKF-UHFFFAOYSA-N 373.217 3.537 0 40 FHAB Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CCN(C(=O)Nc1ccccc1)C2 225488545 FTGJNKFGSKLDSK-KRWDZBQOSA-N 351.406 3.758 0 40 FHAB biogenic,in-vitro CCCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc(OC)cc2)s1 225352720 LBJDGNBFZFWPBB-CYBMUJFWSA-N 367.496 3.845 0 40 FHAB COc1ccc(-c2nc3cc(N)cc(C(=O)O)c3o2)cc1Br 226237133 UAIZEHFSPFZUGT-UHFFFAOYSA-N 363.167 3.546 0 40 FHAB C[C@@H]1C[C@@H](Nc2ncnc3cc(F)c(Br)cc23)c2nccn21 574248194 VPRZJNQETCYCAN-AMIZOPFISA-N 362.206 3.846 0 40 FHAB COc1ccc(NC(=S)N[C@@H](C)COc2ccccc2C)c(OC)c1 225634809 DMTKGKIBWHGCJH-AWEZNQCLSA-N 360.479 3.766 0 40 FHAB CCOC(=O)c1ccc(NC(=S)NCc2cccc(OC)c2)c(C)c1 225834703 QPEFECRPKJALOU-UHFFFAOYSA-N 358.463 3.667 0 40 FHAB O=C(C[C@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21)NC1CCC1 96053402 BDWPZOMSVHZGIJ-SFHVURJKSA-N 368.521 3.856 0 40 FHAB Cc1ccc(CN2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)s1 248106106 PFSNEYAEYKKSAY-QGPMSJSTSA-N 364.536 3.709 0 40 FHAB Cc1ccc(Nc2nccc([C@@H]3CCN(C(=O)c4ccccc4)C3)n2)nc1 257225969 FIPYZWXTSQUMCG-QGZVFWFLSA-N 359.433 3.553 0 40 FHAB O=C(CCc1nc(O)c2ccccc2n1)N1CCCC[C@H]1CC1CCC1 620572092 JFWLXRNIIMUBLD-INIZCTEOSA-N 353.466 3.839 0 40 FHAB C[C@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)Cc1ccc(N)cn1 639018384 HLPROKAXOYYXJT-GOSISDBHSA-N 363.383 3.763 0 40 FHAB COc1cc(C(=O)c2ccccc2OC(F)(F)F)cc(OC)c1OC 95917448 RPKOTJBXICMILQ-UHFFFAOYSA-N 356.296 3.842 0 40 FHAB Cc1ccccc1C(=O)N1CCC2(CCCN(Cc3ccccn3)C2)CC1 585099880 OUEYJKYZWKGQEY-UHFFFAOYSA-N 363.505 3.908 0 40 FHAB CCCCNC(=O)[C@H]1CCCN(C[C@H](O)c2ccc3ccccc3c2)C1 51058527 GAIZDGHXIBLMDL-SFTDATJTSA-N 354.494 3.502 0 40 FHAB CCCc1ccc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)o1 1615126885 ALNDWCAJAMYSSB-UHFFFAOYSA-N 368.477 3.630 0 40 FHAB O=C(c1ccccc1)N1CCN(c2nc(-c3cccs3)cs2)CC1 5772535 KTEOFXMQUSVUQI-UHFFFAOYSA-N 355.488 3.834 0 40 FHAB Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C3CCCCC3)cc2)n1 5009111 KMTOAKRBBSWONV-UHFFFAOYSA-N 357.479 3.857 0 40 FHAB Cc1cc(NC(=O)c2ccco2)c(=O)n(Cc2c(F)cccc2Cl)c1 5000901 AMBMWYHLGQNGPY-UHFFFAOYSA-N 360.772 3.843 0 40 FHAB CCc1nc(SCC(=O)Nc2cccc3ccccc23)[nH]c(=O)c1C 5054681 ZHGTVGODQBHQGQ-UHFFFAOYSA-N 353.447 3.525 0 40 FHAB Cn1cc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)c2ccccc21 5261372 GKMSLSJQWPVVPM-UHFFFAOYSA-N 374.343 3.575 0 40 FHAB COCCCNc1ncc(-c2ccsc2)c(-c2cccnc2OC)n1 12144385 WELDLZLERWTZNA-UHFFFAOYSA-N 356.451 3.724 0 40 FHAB O=C(c1ccco1)N1N=C(c2ccc3c(c2)OCO3)C[C@H]1c1ccco1 12378256 RKTVFHLWEFJYLA-AWEZNQCLSA-N 350.330 3.593 0 40 FHAB Cc1cc(C)c(NC(=O)CNC(=O)c2cc3cc(F)ccc3[nH]2)c(C)c1 13012424 ALHYCWMFFMHMEP-UHFFFAOYSA-N 353.397 3.601 0 40 FHAB CCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1cccc(C)c1 13479926 KXMHHMMGMNNGQC-UHFFFAOYSA-N 364.445 3.898 0 40 FHAB CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 16601546 YCBJKIXSETXZJQ-ZDUSSCGKSA-N 364.442 3.545 0 40 FHAB C[C@H]1CCCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 16642300 RDEMFPRUWLPYOP-NSHDSACASA-N 350.871 3.543 0 40 FHAB CCCn1nnc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)n1 17076163 NSGRDSOGCGJEMK-VQHVLOKHSA-N 371.828 3.957 0 40 FHAB COCC(=O)N1CCCCCCOc2ccccc2Oc2ncccc2C1 643575528 HHHHDSKYTNOSSC-UHFFFAOYSA-N 370.449 3.802 0 40 FHAB Cc1c(CN2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)oc2ccccc12 19566403 IUFLOSXNJDTWEJ-OFNKIYASSA-N 374.440 3.558 0 40 FHAB Fc1ccc2nc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)oc2c1 1888890328 BDFIISCTBNPSHK-UHFFFAOYSA-N 366.318 3.707 0 40 FHAB Cc1ccc(C(=O)O[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C(C)C)cn1 30788953 DWWFDFAQOCJRHS-LJQANCHMSA-N 352.434 3.699 0 40 FHAB COc1ccc(C(=O)N2CC(n3c(C4CC4)nc4ccccc43)C2)cc1F 1775970161 DVARXHZJVYSGEJ-UHFFFAOYSA-N 365.408 3.759 0 40 FHAB Cc1cc2ncc(NC(=O)NC(c3ccccc3)c3ccccc3)cn2n1 206740482 LBKFOGRHIQAHKU-UHFFFAOYSA-N 357.417 3.949 0 40 FHAB CO[C@@H]1CCCN(c2ccc(NC(=O)c3ccc4nsnc4c3)cc2)C1 585302476 CUCULFFNNYFYLW-MRXNPFEDSA-N 368.462 3.559 0 40 FHAB CN1CCC(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 39976696 NPDJZJZMKUMTLV-UHFFFAOYSA-N 354.294 3.548 0 40 FHAB CCc1sc(C(=O)NCC(=O)N[C@H](C)c2cc(C)sc2C)cc1C 40080962 NMKAHNKJYGDYSQ-GFCCVEGCSA-N 364.536 3.904 0 40 FHAB CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)[C@@H]2CC=CCC2)CC1 30253931 YAAYVKKWXYJZNA-CQSZACIVSA-N 367.415 3.752 0 40 FHAB CSc1nnc(C)c(/C=C/NOCc2cccc(Cl)c2Cl)n1 100381402 HRQWGTSJGZAKCY-VOTSOKGWSA-N 357.266 3.901 0 40 FHAB Cc1noc2ncc(C(=O)N(C)[C@H](C)c3nc4ccccc4s3)cc12 32342389 VAVPVAJKZPDYHQ-LLVKDONJSA-N 352.419 3.974 0 40 FHAB Cc1cccc(N2C[C@H](C(=O)Nc3cccc4cnccc34)CC2=O)c1C 21217409 RLHWQSQGTPJNIP-QGZVFWFLSA-N 359.429 3.843 0 40 FHAB O=C(Nc1nonc1-c1ccc(Br)cc1)c1ccccc1F 11916349 SCRRTKQXQRNNTI-UHFFFAOYSA-N 362.158 3.891 0 40 FHAB CCSc1nnc(NC(=O)c2cc(-c3ccc(OC)cc3)on2)s1 11915595 VJITTZKSYJQFKT-UHFFFAOYSA-N 362.436 3.566 0 40 FHAB CCC[C@@H](C)NC(=O)COC(=O)COc1ccc(Nc2ccccc2)cc1 2657018 JQARFZAEJBKVTA-MRXNPFEDSA-N 370.449 3.657 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2cccc3cccnc23)C1 21552484 RVHDCHHNEHOJSF-HNNXBMFYSA-N 355.438 3.820 0 40 FHAB O=C(CSc1nnc(-c2cccc(F)c2)o1)c1ccc2c(c1)OCCO2 4186090 PQCVMXTURZFRNH-UHFFFAOYSA-N 372.377 3.622 0 40 FHAB CC(=O)c1ccc(OC(=O)c2ccc(Cn3nnc4ccccc43)cc2)cc1 6297455 XTYFGGYXRHNZFR-UHFFFAOYSA-N 371.396 3.901 0 40 FHAB C[C@H]1CCC[C@@H](NC(=O)[C@]2(C)CC2(Br)Br)[C@@H]1C 6525598 ONPFGMBLRBYCSL-XNDJQWLSSA-N 367.125 3.823 0 40 FHAB O=C(CSc1nc2ccccc2n1Cc1ccccc1)N1CCCC1 6628865 MZVSOQYTATXQRV-UHFFFAOYSA-N 351.475 3.799 0 40 FHAB Cc1csc(NC(=O)C2CCC(C(=O)Nc3nc(C)cs3)CC2)n1 33000729 XXDUTFWXPRETTJ-UHFFFAOYSA-N 364.496 3.600 0 40 FHAB COCc1nn2c(O)cc(-c3cc(C(C)C)n[nH]3)nc2c1-c1ccccc1 100775644 PRZYTHYKXGBGKX-UHFFFAOYSA-N 363.421 3.762 0 40 FHAB COCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1cc(C)ccc1C 2721347 MALNXEJLWKLXPA-MRXNPFEDSA-N 351.450 3.525 0 40 FHAB CCN(c1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1)S(C)(=O)=O 10008569 DCLBOBVYTKTVOI-UHFFFAOYSA-N 366.870 3.687 0 40 FHAB COc1ccc(S(=O)(=O)NCCCc2ccccc2)c(Cl)c1Cl 10110264 NMOYLUSBFXAPFI-UHFFFAOYSA-N 374.289 3.913 0 40 FHAB COc1ccccc1[C@@H](Nc1ncnc2ccsc12)c1nccn1C 8725638 DEYHGPXZFWANQE-OAHLLOKOSA-N 351.435 3.635 0 40 FHAB C[C@@H](c1nc2ccccc2s1)N(C)CN1C(=O)NC2(CCCCC2)C1=O 22461007 FQJKQRCUBPXMMW-ZDUSSCGKSA-N 372.494 3.501 0 40 FHAB O=C(CCNC(=O)Nc1ccccc1)NCc1ccc(C(F)(F)F)cc1 17817424 YKSWOKGUQARTAS-UHFFFAOYSA-N 365.355 3.533 0 40 FHAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccc(Cl)cc2)c1 22530736 RQOIALGJKIBHBW-UHFFFAOYSA-N 357.841 3.682 0 40 FHAB CC(C)COC(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 702378 BAKQCKIOBKSQIH-UHFFFAOYSA-N 365.385 3.858 0 40 FHAB biogenic Cc1cc(-n2c(C)cc(CN[C@@H]3CCN(Cc4ccccc4)C3)c2C)no1 22804364 BKZJZTWPEDPPRN-OAQYLSRUSA-N 364.493 3.755 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 9050629 UXWOKOVVNCVDDT-QGZVFWFLSA-N 366.461 3.640 0 40 FHAB COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)NC1CC1 12391754 YKUGKKJPBMLKGO-UHFFFAOYSA-N 363.413 3.680 0 40 FHAB O=C(CN1CCCN(Cc2ccccc2)CC1)Nc1cccc2ccccc12 22931640 LQWZKKVVQLTFAD-UHFFFAOYSA-N 373.500 3.986 0 40 FHAB CSc1ccc(Cl)c(C(=O)Nc2cccc(Cn3cncn3)c2)c1 47233550 SYRACFZOCYABMC-UHFFFAOYSA-N 358.854 3.954 0 40 FHAB COC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc12 940631 COTNCQZKUPTVOC-UHFFFAOYSA-N 373.430 3.945 0 40 FHAB COc1ccccc1N1CCN(c2ncnc3sc4c(c23)CCC4)CC1 948415 PLBUDCMBHUJHBG-UHFFFAOYSA-N 366.490 3.515 0 40 FHAB Cc1cc(NC(=O)[C@@H](OC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c2ccccc2)no1 104895603 FSOVNEHKANYUER-SCNOPHJPSA-N 354.406 3.642 0 40 FHAB Cc1cnc(C(=O)Nc2ccccc2NC(=O)c2ccc(Cl)cc2)cn1 24644672 WHVXCCXTJRBNLD-UHFFFAOYSA-N 366.808 3.943 0 40 FHAB O=S(=O)(Oc1ccc(Cl)cc1)c1ccc(-c2csnn2)s1 3104658 IETIXCTWOMDKAY-UHFFFAOYSA-N 358.853 3.688 0 40 FHAB COc1ccc(C(=O)[C@@H](C)OC(=O)c2cnn(-c3ccccc3)c2C)cc1 12587040 XAXVRACSBAGCEB-OAHLLOKOSA-N 364.401 3.618 0 40 FHAB Cc1ccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)nc1 12536694 LORBENGWXFQRLL-UHFFFAOYSA-N 359.838 3.627 0 40 FHAB Cc1cc2oc(=O)cc(CN3CCC(C(=O)N(C)C)CC3)c2cc1C(C)C 12569347 DXVMMAZMCZOSIA-UHFFFAOYSA-N 370.493 3.525 0 40 FHAB CC(=O)c1ccc(NC(=O)Cn2c(-c3ccc(C)cc3)n[nH]c2=S)cc1 24969556 UTNIHWIDTYYSAK-UHFFFAOYSA-N 366.446 3.757 0 40 FHAB CC(=O)c1cc(CCC(=O)N2CCN(c3ccccc3Cl)CC2)oc1C 12554143 VCUQMUQBZWWTDI-UHFFFAOYSA-N 374.868 3.725 0 40 FHAB CCCN(CC(=O)Nc1c(C(C)C)cccc1C(C)C)CC(=O)N(C)C 56510429 GJUHODVXPFSHCL-UHFFFAOYSA-N 361.530 3.672 0 40 FHAB COc1cc(N[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc(OC)c1 12526493 NSBYLUUTPCAIFT-JTQLQIEISA-N 359.451 3.792 0 40 FHAB CN(C)c1c(F)cc(NC(=O)NCc2ccccc2OC(F)F)cc1F 56723376 BGQVHFBVVKTZPF-UHFFFAOYSA-N 371.334 3.954 0 40 FHAB C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cc(F)ccc1F 12517262 ZKAFPNUZLJOEDX-LBPRGKRZSA-N 359.376 3.531 0 40 FHAB Cc1noc2nc(C3CC3)cc(C(=O)NCCOc3ccc(Cl)cc3)c12 26906750 BFPBTTQIVAELPX-UHFFFAOYSA-N 371.824 3.871 0 40 FHAB COc1cc(C(=O)NC[C@H]2CCCO2)cc(Cl)c1OCCC(C)C 27393797 HAJKWXPHJKYEOU-CQSZACIVSA-N 355.862 3.682 0 40 FHAB COc1ccc(N(C)C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1OC 58017236 JGMWMLOGCIDLBB-SFHVURJKSA-N 371.433 3.538 0 40 FHAB COC(=O)c1ccc(NC(=O)CSCCOc2ccc(C)cc2)cc1 24066337 WHAOXEISFLQPOT-UHFFFAOYSA-N 359.447 3.532 0 40 FHAB CC(C)N1CCC[C@@H](CNC(=O)c2ccc(COc3ccccc3)o2)C1 58159354 PPTDZNCJUSRYAG-KRWDZBQOSA-N 356.466 3.709 0 40 FHAB O=C(NCc1ccccc1Cn1cccn1)c1cccc(Br)c1 10234923 WGNJQHDFYNTFNM-UHFFFAOYSA-N 370.250 3.624 0 40 FHAB C[C@@H](OC(=O)c1ccc(N2CCNC2=O)cc1)c1cnc2ccccc2c1 58376976 PRVXHVUTBDINRK-CQSZACIVSA-N 361.401 3.682 0 40 FHAB Cc1ccc(N2C(=O)N(CC(=O)c3cc(C)ccc3C)C(=O)[C@@H]2C)cc1 3323524 MTUGHEPODGNLFD-INIZCTEOSA-N 350.418 3.652 0 40 FHAB C[C@H](NC(=O)CSc1nnc(COc2ccccc2)o1)c1ccccc1 2399731 IFUPPCSKMCCMAT-AWEZNQCLSA-N 369.446 3.618 0 40 FHAB O=C(CCCNC(=O)c1ccc(Cl)cc1)NCc1ccccc1Cl 3374844 XEZAWMASNKCRNB-UHFFFAOYSA-N 365.260 3.820 0 40 FHAB O=C(CCCNC(=O)c1ccc(F)cc1F)Nc1ccc(Cl)cc1 12731295 NMSXAKQXDFAEOX-UHFFFAOYSA-N 352.768 3.767 0 40 FHAB CCc1nnc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)s1 8719739 ZCHFGOSMUGRSQV-UHFFFAOYSA-N 369.475 3.658 0 40 FHAB CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)C2CCCC2)CC1 8711045 ZTCLETDIWCPIEX-UHFFFAOYSA-N 355.404 3.586 0 40 FHAB Cc1ccc(N2C(=O)C(Cl)=C(NC3CCCCC3)C2=O)cc1Cl 13583583 OYUXTNUCKSMWGH-UHFFFAOYSA-N 353.249 3.894 0 40 FHAB Brc1cncc(-c2nnc3sc(/C=C/c4ccco4)nn23)c1 13689628 WTSYOCXDUPEMTF-ONEGZZNKSA-N 374.223 3.774 0 40 FHAB Cc1ccc(OC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1C 8830971 XPSLJTUYMDGLSL-UHFFFAOYSA-N 351.358 3.949 0 40 FHAB COc1cc(NC(=O)c2ccc3c(c2)CCN3C(C)=O)c(OC)cc1Cl 28076747 DAHMXNIUXXHLBM-UHFFFAOYSA-N 374.824 3.519 0 40 FHAB CCOC(=O)CS[C@@H]1c2ccccc2C(=O)N1CCc1ccccc1 9434862 BGVKCVQXFSHIDI-HXUWFJFHSA-N 355.459 3.680 0 40 FHAB COc1ccc(N2C(=O)/C(=C/NC(C)(C)C)c3ccccc3C2=O)cc1 6211638 CXUSELQQRNLZLB-QGOAFFKASA-N 350.418 3.611 0 40 FHAB O=C(c1cccs1)N1CCN(C(=O)c2cc3c(F)cccc3s2)CC1 14013772 MQYXBTUTNSZQMB-UHFFFAOYSA-N 374.462 3.700 0 40 FHAB FC(F)(F)c1ccc(SC[C@@H]2CNC(c3ccccc3)=NO2)nc1 60376446 KWXXPSGHOIRXFY-ZDUSSCGKSA-N 353.369 3.543 0 40 FHAB Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(Cl)cc3)n2)cc1 5396778 OZSUIGGEOWYOOE-UHFFFAOYSA-N 353.809 3.511 0 40 FHAB COc1ccc(NC(=O)CSc2nc(C)c(C)c(C)n2)cc1Cl 6543576 QHHFISOUIHSPOX-UHFFFAOYSA-N 351.859 3.795 0 40 FHAB C[C@@H](NC(=O)CSc1nnc(-c2cccc(F)c2)n1C)c1ccccc1 4736253 ZRTLUKALKCEHDK-CYBMUJFWSA-N 370.453 3.591 0 40 FHAB Fc1cccc(CN2CC[C@]3(C2)CN(Cc2ccccn2)c2cccnc23)c1 306128579 HFGSMJNXFIVKMJ-QHCPKHFHSA-N 374.463 3.780 0 40 FHAB Clc1cc(Br)cc2[nH]nc(I)c12 14984030 LFDHOIDUNKQALO-UHFFFAOYSA-N 357.376 3.583 0 40 FHAB CCc1ccc(N/C=C(\C(=O)OC)S(=O)(=O)c2ccc(C)c(C)c2)cc1 67340518 BDQZPFBVQPFAQA-CPNJWEJPSA-N 373.474 3.766 0 40 FHAB CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc2ncsc2c1 15822394 JMJIWCBXKUGIIT-LBPRGKRZSA-N 368.414 3.683 0 40 FHAB Cc1ccc(C)c(OCCC(=O)N(C)CC(=O)Nc2c(C)cccc2C)c1 7985824 LFZVEEHTIUFTFJ-UHFFFAOYSA-N 368.477 3.786 0 40 FHAB COc1ccccc1OC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1 408670495 SMBJRLZIPDPSFZ-ZDUSSCGKSA-N 359.809 3.616 0 40 FHAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC[C@@H]1c1nc2ccccc2[nH]1 9419353 WFDVXILVBNDVQA-SYJIQKIWSA-N 361.401 3.669 0 40 FHAB Cc1[nH]c2ccc(C(=O)OCC(=O)NCc3ccccc3Cl)cc2c1C 9552162 DUSMJMHEZNSKHO-UHFFFAOYSA-N 370.836 3.911 0 40 FHAB CN(C)c1nc2ccc(NC(=O)c3csc(Br)c3)cc2o1 79095088 DDGWGMVGVPTUNZ-UHFFFAOYSA-N 366.240 3.970 0 40 FHAB COCCn1ccnc1[C@H]1CN(Cc2ccccc2F)Cc2ccccc21 306131810 KQCPPJIOQOUHKE-FQEVSTJZSA-N 365.452 3.816 0 40 FHAB C[C@H](NC(=O)c1cccc(Nc2cnccn2)c1)[C@@H]1COc2ccccc21 89894436 FYVPXPGKENLTGN-KSSFIOAISA-N 360.417 3.515 0 40 FHAB Cc1ccccc1CC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 24561803 BKPJOJTYDOKYEH-NRFANRHFSA-N 359.473 3.976 0 40 FHAB CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 511245139 ZKUQGQBGPYRGHO-INIZCTEOSA-N 374.506 3.941 0 40 FHAB c1coc(CN2CCO[C@H](c3nnn4cc(-c5cccs5)ccc34)C2)c1 306139092 SPDKEEDYXDPGLV-KRWDZBQOSA-N 366.446 3.624 0 40 FHAB CC(C)Oc1ccccc1[C@@H]1CC(O)=Nc2nc(N3CCOCC3)sc21 36357699 ZAGXHWCKRNMVQP-AWEZNQCLSA-N 373.478 3.891 0 40 FHAB COC(=O)c1coc(Cn2cnc3scc(-c4ccccc4)c3c2=O)c1 523228386 ZKSMTDBYUIXFQP-UHFFFAOYSA-N 366.398 3.553 0 40 FHAB CN(C)C(=O)CN1CCC[C@H]1c1cccc(Cc2ccc(Cl)cc2)n1 72357961 KWGBVLZXDIUQFU-IBGZPJMESA-N 357.885 3.551 0 40 FHAB CCc1ccc(-c2noc(CN3CCN(c4ccccc4C)CC3)n2)cc1 32739747 QAJSYWLIXYQHTN-UHFFFAOYSA-N 362.477 3.930 0 40 FHAB O=C(CSc1nc2ccccc2n1Cc1ccccc1F)NC1CC1 35314666 KITFKUBIKJHLTM-UHFFFAOYSA-N 355.438 3.594 0 40 FHAB CCc1ccc(OCC(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1 218954988 NEZUWUPDQWQFAB-UHFFFAOYSA-N 357.450 3.740 0 40 FHAB Cc1csc([C@@H]2COCCN2C(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)n1 529084068 WACGYGWNBYBHPN-ZACQAIPSSA-N 360.454 3.684 0 40 FHAB CCOc1ccc(-c2noc(CNC(=O)c3ccc(C)cc3C)n2)cc1 224734593 KHUBAYVAGPMOPU-UHFFFAOYSA-N 351.406 3.682 0 40 FHAB Cc1nc2cc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)ccc2n1-c1ccccc1 245283715 OJQHCTGZCDSFSS-VUEDXXQZSA-N 369.424 3.645 0 40 FHAB CCN(CC)c1nc2sc(C(=O)Nc3cccc(C(N)=O)c3)cc2s1 40155154 OSHPBTJYRLUDAO-UHFFFAOYSA-N 374.491 3.555 0 40 FHAB CCOC(=O)Cc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1 225898169 RHHQHLQXVGOQQY-UHFFFAOYSA-N 350.374 3.700 0 40 FHAB CCC[C@@H](C)NC(=O)c1snnc1-c1ccc(Br)cc1 225785854 RPWCVXACLAIVPT-SECBINFHSA-N 354.273 3.886 0 40 FHAB CCOCCOc1ncc(NC(=O)[C@@](C)(CC(C)C)OCC)cc1C 225894438 NYJZLOPWVYXRKQ-LJQANCHMSA-N 352.475 3.585 0 40 FHAB Cc1nc(NC(=O)[C@@H](C)Sc2nnc(Cc3ccccc3)o2)sc1C 48513612 XRLAYXDDNRTYIJ-GFCCVEGCSA-N 374.491 3.853 0 40 FHAB Cc1ccc(CN2CCC3(CCC(=O)N3Cc3ccncc3)CC2)s1 96228213 TYAIIYDYCXOEAS-UHFFFAOYSA-N 355.507 3.609 0 40 FHAB O=C(N[C@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21)c1ccc[nH]1 96079849 JPQOYLYQYJFTKE-IBGZPJMESA-N 365.477 3.513 0 40 FHAB CC(C)n1cc(CCC(=O)Nc2nc([C@H]3CCCO3)n[nH]2)c2ccccc21 95477902 MNXCWDUJPWLIEW-QGZVFWFLSA-N 367.453 3.763 0 40 FHAB c1cncc(CN2CCC(c3nc4ccc(-c5ccncc5)cn4n3)CC2)c1 96038251 RCQROCAYDAITRT-UHFFFAOYSA-N 370.460 3.566 0 40 FHAB Cc1nccc(N2CCC[C@H](c3ncc(Cc4cccc(F)c4)o3)C2)n1 257237574 HHCNYQVFVRNPCG-INIZCTEOSA-N 352.413 3.887 0 40 FHAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@]1(O)CC[C@]2(O)c1ccoc1 271773238 AEAPORIZZWBIEX-PNKHAHIYSA-N 374.521 3.986 0 40 FHAB CC[C@H]1C[C@H](NC(=O)N2CCC3(C=Cc4ccccc4O3)CC2)CCO1 665171331 XFGIOHDTQISNEM-MSOLQXFVSA-N 356.466 3.594 0 40 FHAB CC(C)Cc1nc(C(=O)N2CCC(c3nncn3C(C)C)CC2)cs1 110748678 AAVIIDHLQQKNPQ-UHFFFAOYSA-N 361.515 3.534 0 40 FHAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCC[C@@H](C)C2)C3)cc1 585104809 SXELTGKCEFUTEE-TZIWHRDSSA-N 370.537 3.738 0 40 FHAB CCOCC[C@H]1CN(C(=O)c2cnc3ccccc3c2)Cc2cccn2C1 585095600 ZQNJOFKJULLTTF-QGZVFWFLSA-N 363.461 3.735 0 40 FHAB COc1ccccc1[C@@H]1CCN(C(=O)/C=C/c2ccc(NC(C)=O)cc2)C1 153203814 RNAZYXXOZJZLCE-ZPHJMFTNSA-N 364.445 3.683 0 40 FHAB Cc1csc(-c2ccc(C(=O)Nc3nc4c(s3)CN(C)CC4)cc2)n1 58267856 YCQUXODWXYHAIE-UHFFFAOYSA-N 370.503 3.815 0 40 FHAB O=C(NCc1nn(-c2ccccc2)c2c1CCC2)N1CCCCCCC1 56453986 BFSIQEJLERZWKH-UHFFFAOYSA-N 352.482 3.837 0 40 FHAB CCN(C(=O)c1oc2c(c1C)C(=O)CCC2)[C@@H](COC)Cc1ccccc1 72309242 JHTHNXSTARCIMK-QGZVFWFLSA-N 369.461 3.827 0 40 FHAB CCOC(=O)c1cnc2c(C(F)(F)F)ccc(Br)c2c1O 104743999 KPVHPBNBNUKIEH-UHFFFAOYSA-N 364.117 3.898 0 40 FHAB C[C@H]1CN([C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@@H](C)O1 12693106 WNDMBVYJDCWGJH-FGTMMUONSA-N 368.477 3.702 0 40 FHAB CCc1ccccc1NC(=O)[C@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O 13713067 MVGIKPVNWAWISS-IBGZPJMESA-N 374.506 3.741 0 40 FHAB O=C(CNC(=O)NCc1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1 14207294 GISBNUQHZXGVSR-UHFFFAOYSA-N 370.211 3.570 0 40 FHAB CCc1ccc(C(=O)COC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 16161508 ZYBWEULXPXCADC-UHFFFAOYSA-N 353.418 3.883 0 40 FHAB Cc1csc(-c2nc(N3CC[C@H](O)[C@H](C)C3)ncc2-c2ccsc2)n1 19240277 FTPOSKNMGDQSTC-ABAIWWIYSA-N 372.519 3.844 0 40 FHAB O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccccc2F)C1)C1CC1 19348939 YKWLJDCNBGOAHX-GHTZIAJQSA-N 367.468 3.700 0 40 FHAB Cc1noc2nc([C@@H]3CCCN(C(=O)[C@H]4C[C@H]4C)C3)cc(C(F)(F)F)c12 19563772 RPBFQADZXMQREJ-JLLWLGSASA-N 367.371 3.912 0 40 FHAB Cc1ccc(C)c(OCC(=O)Nc2cc(C)c3nc(NN)sc3c2)c1 226313146 IGTYSOXXYAAHOJ-UHFFFAOYSA-N 356.451 3.525 0 40 FHAB CC(=O)c1cccc(NC(=O)COC(=O)/C=C/c2cccc(Cl)c2)c1 3230161 PTGKXKMQPJZKJY-CMDGGOBGSA-N 357.793 3.738 0 40 FHAB COc1cccc2c1N(S(=O)(=O)c1ccccc1C(F)(F)F)CCC2 31533740 XZNAQQWNTDPWJE-UHFFFAOYSA-N 371.380 3.856 0 40 FHAB COc1ccc(C(=O)Nc2nnc(-c3ccccc3C)s2)cc1OC 4072284 XMBWXVURKGBOKZ-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB COc1ccc(-n2nnc3c(SCc4ccc(F)cc4)ncnc32)cc1 4166770 UOPMTAPRCFAVLO-UHFFFAOYSA-N 367.409 3.651 0 40 FHAB CCOc1ccc(-c2ccc(SCC(=O)N3CCCCC3)nn2)cc1 4355919 VKTJCIBVHWBJFU-UHFFFAOYSA-N 357.479 3.647 0 40 FHAB COc1ccc(OC)c(NS(=O)(=O)c2ccc3cc(C)ccc3c2)c1 5234366 OWIRRHZJXWDRPF-UHFFFAOYSA-N 357.431 3.966 0 40 FHAB O=C(C[C@@H](C(=O)O)N1CCCCC1)Nc1ccc(Nc2ccccc2)cc1 5258006 TUFJIFHEDUFLRW-IBGZPJMESA-N 367.449 3.698 0 40 FHAB Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(F)cc2F)o1 9573813 QBTCFTHXWRCEPX-UHFFFAOYSA-N 368.343 3.917 0 40 FHAB CCOc1ccc(-n2nnc(C(=O)OCc3cccc(C)c3)c2C)cc1 12415989 SHVNJJYQPKQEAX-UHFFFAOYSA-N 351.406 3.640 0 40 FHAB CCn1nc(C(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1C 13703261 YXPFBLHDCADDAJ-UHFFFAOYSA-N 356.451 3.904 0 40 FHAB Fc1cccc(-n2cc(-c3noc(-c4nccc5ccccc45)n3)nn2)c1 49410140 FPNGUXAKEMOOIR-UHFFFAOYSA-N 358.336 3.672 0 40 FHAB COc1ccc(Cl)cc1C(=O)N1CC[C@@H](n2cnc3ccccc32)C1 575617013 MFSIHCIYBMKKSM-CQSZACIVSA-N 355.825 3.786 0 40 FHAB C[C@H](c1cc2ccccc2o1)N(C)CCC(=O)NC(=O)NC1CCCC1 40057188 HLPLLRMPRMJTSC-CQSZACIVSA-N 357.454 3.584 0 40 FHAB Cc1nccn1CCCNC(=O)c1ccc(C2SCCCS2)cc1 40155368 LCSYQNHVKTUIHM-UHFFFAOYSA-N 361.536 3.880 0 40 FHAB COc1cc(C(=O)Nc2ccccc2O)ccc1OCc1cscn1 30603220 YBSLIHOBHFUFSK-UHFFFAOYSA-N 356.403 3.689 0 40 FHAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1c(F)cccc1F)SCC(O)=N2 20733080 BSLXPCPKUMDLSE-HNNXBMFYSA-N 373.388 3.673 0 40 FHAB C[C@@H](Sc1nncn1C1CC1)C(=O)Nc1nc(-c2ccccc2)cs1 11721241 WWAPFGAPGZZHST-LLVKDONJSA-N 371.491 3.856 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)CCNC(=O)c1ccccc1Cl 2633652 VKEZZAYZGNXRBM-HNNXBMFYSA-N 358.869 3.597 0 40 FHAB Fc1c(F)c(F)c(NCc2ccc(CN3CCOCC3)cc2)c(F)c1F 32743549 GNFKEFBAGZVWAA-UHFFFAOYSA-N 372.337 3.826 0 40 FHAB CCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)NC2CCCCC2)cc1 1379639 AXRMLNDHBCERCY-SFHVURJKSA-N 359.470 3.531 0 40 FHAB C[C@H](OC(=O)c1ccccn1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 21458062 ULKULFJVRLABPP-VIFPVBQESA-N 372.730 3.938 0 40 FHAB CCCCc1c(C(=O)OCC)oc(C(=O)OCC)c(CCCC)c1=O 1561255 LOUFZEZQYHFXMI-UHFFFAOYSA-N 352.427 3.678 0 40 FHAB Cc1cccc(OC[C@@H](O)CN(Cc2ccsc2)c2ccccn2)c1 1731833 DEYQADVDPQDUIS-SFHVURJKSA-N 354.475 3.898 0 40 FHAB COc1ccc(-c2csc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)n2)cc1 4199841 NTQNVCPUFTYIAI-KNPMLCFXSA-N 372.446 3.504 0 40 FHAB Cc1cccc(NC(=S)N2CCC(NC(=O)c3cccc(F)c3)CC2)c1 4857503 JMIBSBSBAXSVNO-UHFFFAOYSA-N 371.481 3.725 0 40 FHAB Cc1ccc(OCC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1C 7447797 BHPWYMHTCORLBJ-UHFFFAOYSA-N 366.505 3.985 0 40 FHAB CC(=O)c1cc2c(cc1NC(=O)c1ccccc1C(F)(F)F)OCO2 32994758 PVNPLNDMABCNOS-UHFFFAOYSA-N 351.280 3.889 0 40 FHAB CCOc1ccc(-n2nnc(C(=O)Nc3cccc(C)c3C)c2C)cc1 2713296 QQJOKXNKNXCJKU-UHFFFAOYSA-N 350.422 3.844 0 40 FHAB Cc1cccc([C@@H]2N=C(Nc3ccc(C)c(C)c3)Nc3nc(C)cc(=O)n32)c1 105330307 UKLPDMWLVOUZTN-HXUWFJFHSA-N 373.460 3.917 0 40 FHAB CCc1cccc(CC)c1N1C(=O)C[C@@H](Sc2ccccc2N)C1=O 100396706 ICQXBWDMGFGBQD-QGZVFWFLSA-N 354.475 3.818 0 40 FHAB Clc1ccccc1Cn1cc(CNC[C@@H]2COc3ccccc3C2)cn1 53601477 DGYFQKSTCFLJCN-MRXNPFEDSA-N 367.880 3.926 0 40 FHAB CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccco1 779324 REXPIERSOYUTGA-UHFFFAOYSA-N 362.842 3.942 0 40 FHAB CCOc1cc(C(=O)NC(C2CC2)C2CC2)ccc1OCc1cccnc1 23111191 PCVJXPKLKHGIFL-UHFFFAOYSA-N 366.461 3.978 0 40 FHAB COc1ccc2c(C)c(CCC(=O)Nc3ccccc3C)c(=O)oc2c1 12459455 YBJYXRFKBVNURJ-UHFFFAOYSA-N 351.402 3.990 0 40 FHAB O=C(NCc1cccc(F)c1)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 47728536 TXTLELPTLYEFNS-UHFFFAOYSA-N 361.804 3.693 0 40 FHAB COC(=O)c1ccc([C@H]2C=C(c3ccc(C)c(C)c3)Nc3ncnn32)cc1 102047911 AWDKCRUDAUZCIZ-LJQANCHMSA-N 360.417 3.738 0 40 FHAB O=C1CC2(CCCC2)C(=O)N1CN1CCC[C@H]1c1nc2ccccc2s1 23763460 JZLAEILDSNUEGC-HNNXBMFYSA-N 369.490 3.710 0 40 FHAB CC1CCC(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)CC1 22993380 WTOGJYLYOMYKTE-PPSBMQLTSA-N 366.461 3.542 0 40 FHAB O=C(c1n[nH]c2ccccc12)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12520663 GXUUKUZHBCXVHP-QGZVFWFLSA-N 363.417 3.702 0 40 FHAB O=C(Nc1ccccn1)c1cc(Br)c(Br)s1 12527792 DRJGQOUUMHWCFT-UHFFFAOYSA-N 362.046 3.920 0 40 FHAB CCOc1ccccc1N1CCN(C(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)CC1 24713778 VYKYBNCGQFRFLD-YLJYHZDGSA-N 356.510 3.972 0 40 FHAB COc1ccc(OC[C@@H]2[C@H]3CC[C@@H](C3)N2C(=O)c2sc(C)nc2C)cc1 100113347 GLSHSTPPYBNSSP-RLFYNMQTSA-N 372.490 3.841 0 40 FHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1nc(N3CCCC3)ncc1Cl)C2 107334012 YSLNVQCPTRUSRV-PJFSTRORSA-N 362.905 3.675 0 40 FHAB O=C(NCc1ccc(N2CCCC2)nc1)c1ccc2[nH]c3c(c2c1)CCCC3 43759166 JUDSMZJHLMTSGQ-UHFFFAOYSA-N 374.488 3.972 0 40 FHAB O=C(CSc1ccc2ccccc2c1)NCc1ccc2c(c1)OCO2 3226129 RNNJOLRABGUNKG-UHFFFAOYSA-N 351.427 3.977 0 40 FHAB CCOc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)cc1Cl 48044528 FCDUFBVKTITLNC-SNVBAGLBSA-N 352.283 3.813 0 40 FHAB O=C(O)CC12CC3C[C@@](Br)(C1)C[C@@](Br)(C3)C2 100243519 XXNSAMQEVRDCDN-DPHRUIKTSA-N 352.066 3.713 0 40 FHAB CN(Cc1cc(Br)cs1)C(=O)[C@@H]1COc2ccccc2C1 58023460 LMTXUALUFNXUSK-LBPRGKRZSA-N 366.280 3.720 0 40 FHAB CSc1ccc(-c2csc(NC(=O)CN3CCSC3=O)n2)cc1 10032687 GPRQXWCDOOBPJJ-UHFFFAOYSA-N 365.505 3.639 0 40 FHAB O=C(c1cccc(NCc2nc(C3CC3)no2)c1)N1CCc2ccccc21 58182758 JIEPFTPJPPXVKG-UHFFFAOYSA-N 360.417 3.762 0 40 FHAB O=C(COC(=O)Cc1ccc(Cl)cc1Cl)NCc1ccc(F)cc1 3385294 VXEQKFXMKFJURP-UHFFFAOYSA-N 370.207 3.535 0 40 FHAB CCOP(=O)(OCC)[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl 2257365 YYHULQFROKHYTG-SECBINFHSA-N 354.598 3.721 0 40 FHAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2cc(F)cc(F)c2)c1 10665550 TXCQXRYSDMKWRU-UHFFFAOYSA-N 360.389 3.833 0 40 FHAB COc1ccc(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc1 10770370 BFBLXIODLSVRPH-UHFFFAOYSA-N 367.445 3.708 0 40 FHAB C[C@@H]1C[C@H](OC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)C(=O)O1 36396503 QOEXXANDPDSWKU-KUHUBIRLSA-N 352.386 3.564 0 40 FHAB C[C@H](Nc1ccc(OC(F)(F)F)cc1)C(=O)NCc1ccc(F)cc1 12733258 FJNUARPHIUUKOZ-NSHDSACASA-N 356.319 3.841 0 40 FHAB O=C1Cc2cc(C3=NN=C(Nc4ccc(Cl)cc4)SC3)ccc2N1 12748077 NCCALWZWNZQNOX-UHFFFAOYSA-N 356.838 3.754 0 40 FHAB CC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 12761438 LVZAFXISRUCSOP-GFCCVEGCSA-N 366.870 3.669 0 40 FHAB COc1ccc(CNC(=O)[C@@H](C)Sc2ncccc2Cl)cc1OC 11251236 BCNKXDFLXNEXPD-LLVKDONJSA-N 366.870 3.549 0 40 FHAB Cc1nn(C)c(C)c1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 11200724 YUVFYCMJKOOFNS-UHFFFAOYSA-N 362.405 3.620 0 40 FHAB O=C(Nc1ccccc1)c1cccc(CNC(=O)c2cccc3cn[nH]c23)c1 48300914 AVMYQNKCRLRHHZ-UHFFFAOYSA-N 370.412 3.745 0 40 FHAB O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cnc(Cl)c(Cl)c1 12822753 XLCBCQSOEHMCNI-UHFFFAOYSA-N 350.205 3.989 0 40 FHAB Cc1ccc(NC(=O)[C@H](Sc2nnc(N)s2)c2ccccc2)cc1 3530955 GBAKBQCTGDXKDG-CQSZACIVSA-N 356.476 3.901 0 40 FHAB CN(Cc1cccs1)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 12977493 NDIJLRAYAVKWRH-UHFFFAOYSA-N 362.458 3.813 0 40 FHAB O=C(NC1=NCCS1)c1cc(-c2cccs2)n(-c2ccc(F)cc2)n1 12926618 UICUNAKLOMIICK-UHFFFAOYSA-N 372.450 3.573 0 40 FHAB CC(C)c1nc2oc3c(NC[C@@H]4CCCO4)ncnc3c2c2c1CCC2 4295068 GJOBKGBBUCBQCA-LBPRGKRZSA-N 352.438 3.974 0 40 FHAB C[C@@H]1CCCC[C@]12NC(=O)N(Cc1csc(-c3ccccc3)n1)C2=O 4308745 XMHGNKNXBLTVSA-YJYMSZOUSA-N 355.463 3.811 0 40 FHAB Cc1ccc(C(=O)C2CCN(C(=O)c3ccnc(NC4CC4)c3)CC2)cc1 65514125 MNFVSBQAJCUWPO-UHFFFAOYSA-N 363.461 3.699 0 40 FHAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(Br)o1 8556690 ZTNMYKVFCQQGES-UHFFFAOYSA-N 365.227 3.823 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1C 5329275 HIRUMYMUZASNEH-UHFFFAOYSA-N 358.463 3.539 0 40 FHAB Cc1cc(C(=O)Nc2nnc(C3CCCCC3)s2)c2c(C)noc2n1 14342831 KOUQLORLGORKEO-UHFFFAOYSA-N 357.439 3.991 0 40 FHAB COC(=O)c1ccc(CSc2nnc(Cc3cccs3)n2C)cc1 5579927 QBHRSQVIBDQLLP-UHFFFAOYSA-N 359.476 3.546 0 40 FHAB Cc1ccc(C)c(NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)c1 6670328 KBXIWDCESCLGQR-UHFFFAOYSA-N 353.809 3.755 0 40 FHAB COC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)c(Cl)c1 6608252 LATAZGIDBHMFLX-UHFFFAOYSA-N 374.849 3.613 0 40 FHAB Cc1noc(C)c1C(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 6657583 YNFRGNOQJUFUMR-SFHVURJKSA-N 360.417 3.882 0 40 FHAB CN1CCN(C(=O)c2ccc(Br)cc2)[C@@H](c2ccccc2)C1 18232275 OBOCQMAQZAKFAK-QGZVFWFLSA-N 359.267 3.578 0 40 FHAB CC(C)N(C(=O)[C@H](C)n1nnc(-c2cccc(C(F)(F)F)c2)n1)C(C)C 15364997 GFZUTAIHYFRDET-LBPRGKRZSA-N 369.391 3.565 0 40 FHAB CCN1CCN(C(=S)c2cccc(OCc3ccc(F)cc3)c2)CC1 408572237 FUCBSGNVDPPQGI-UHFFFAOYSA-N 358.482 3.718 0 40 FHAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)c1nc2ccccc2c(=O)[nH]1 7674236 MCHMQRHLFUBMHF-SNVBAGLBSA-N 353.451 3.580 0 40 FHAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@@H]1COc2ccccc2C1 8156252 JVMUAGWVQZZRGI-HNNXBMFYSA-N 351.402 3.918 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)Cc1ccccc1Cl)c1ccccc1F 9156776 NZXDWSHHYZLYCX-SFHVURJKSA-N 357.816 3.661 0 40 FHAB CC(C)c1nc([C@@H]2CCCCCN2C(=O)Cc2c[nH]c3ncccc23)no1 96001255 JMNWOVGLSASERQ-INIZCTEOSA-N 367.453 3.756 0 40 FHAB Cc1c(C(=O)COC(=O)c2ccc(-n3cccn3)cc2)oc2ccccc12 24235169 GEKIJYQHKWMORY-UHFFFAOYSA-N 360.369 3.967 0 40 FHAB COc1cc(C(=O)NCc2ccc(Br)cc2)nc2ccccc12 72329576 INGJNIFHTLGPRR-UHFFFAOYSA-N 371.234 3.936 0 40 FHAB CCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Oc2cc(C)[nH]n2)cc1 84739809 OIFYXGNCBXUSCC-KRWDZBQOSA-N 370.453 3.630 0 40 FHAB Cn1cc([C@@H]2C[C@@H]2C(=O)O[C@@H](c2ccccc2)c2ccc(F)cc2)cn1 95407061 JULCIJXCLNIQFY-UFYCRDLUSA-N 350.393 3.996 0 40 FHAB COc1cccc(-c2nnc(CN3[C@@H](C)COC[C@H]3c3ccccc3)o2)c1 95452657 LQVAVWNJGRBFDO-KXBFYZLASA-N 365.433 3.707 0 40 FHAB C[C@@H]1CN(c2ccc(CNc3ccc4ccc(F)cc4n3)cn2)CCO1 78903779 PAJVEPQEQRVOGS-CQSZACIVSA-N 352.413 3.606 0 40 FHAB CCc1n[nH]c(=O)c(CNc2ncc(C(F)(F)F)cc2Cl)c1CC 79111721 RLEVWFKXYMZSGV-UHFFFAOYSA-N 360.767 3.574 0 40 FHAB Cc1cc(-n2nc(C)cc2NC(=O)c2ccc(F)cc2Cl)nc(C)n1 75107567 PJFYDKRYYZEYOP-UHFFFAOYSA-N 359.792 3.632 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 29761837 ZZRCIKZXFLBKHH-MRXNPFEDSA-N 354.450 3.787 0 40 FHAB COc1cccc(OCC(=O)N(Cc2ccc3cc[nH]c3c2)C2CC2)c1 32071203 DSBOPWCNYDKRAA-UHFFFAOYSA-N 350.418 3.747 0 40 FHAB CC(C)Oc1cccc(C(=O)Nc2cccnc2-n2cc(Cl)cn2)c1 72403665 LDBXJVNIYFLJGE-UHFFFAOYSA-N 356.813 3.960 0 40 FHAB COc1ccccc1CCNc1ncc(-c2cnccn2)c(-c2ccco2)n1 72338696 DLUAUSCZASPFIU-UHFFFAOYSA-N 373.416 3.857 0 40 FHAB O=C(CCS(=O)(=O)Cc1ccc(F)cc1Cl)Nc1ccc(F)cc1 36396393 HFQULLRIKVGPCS-UHFFFAOYSA-N 373.808 3.562 0 40 FHAB Cc1ccc(NC(=O)C[C@H]2C(=O)N(C3CC3)c3nc4ccccc4n32)cc1C 39964129 ZGKVYODUWKNADR-IBGZPJMESA-N 374.444 3.732 0 40 FHAB CC(C)(C)OC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCNCC1 79034435 PMACSCUBVLCSED-UHFFFAOYSA-N 358.404 3.851 0 40 FHAB O=C(O)[C@@H](c1cccnc1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 563282827 UEOQRPLYWFMYBB-CZUORRHYSA-N 367.232 3.667 0 40 FHAB CCc1ccc(CC)c(CNS(=O)(=O)c2ccc(OC)c(C)c2C)c1 225740276 BGIDVVSLRIJVQI-UHFFFAOYSA-N 361.507 3.915 0 40 FHAB O=C(NCc1cccc2ccccc12)c1cn2c3c(cccc3c1=O)CC2 225860577 WKKDFUUTVVHWBD-UHFFFAOYSA-N 354.409 3.641 0 40 FHAB CCc1cccc(C)c1NC(=O)[C@@H](C)N(c1cccc(C)c1)S(C)(=O)=O 220132574 FQVFJMPRIBSWGY-MRXNPFEDSA-N 374.506 3.659 0 40 FHAB COc1ccc(OCCNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 225156668 ARFHDRPNUMQYAK-MRXNPFEDSA-N 369.461 3.537 0 40 FHAB COC(=O)N1CCC(CNC(=O)c2ccc(-c3ccccc3)cc2)CC1 43982522 BZJUSFQFLLWRRX-UHFFFAOYSA-N 352.434 3.562 0 40 FHAB CCCc1ccc(OCCNC(=O)CSc2ccc(OC)cc2)cc1 224338772 QEVMIWAOHZJMMZ-UHFFFAOYSA-N 359.491 3.935 0 40 FHAB COc1cccc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 222793667 OWIRNDWHLQTVNK-GOSISDBHSA-N 355.434 3.801 0 40 FHAB COc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3c(=O)[nH]2)cc1 40819634 KEADZVIXNOIDLP-UHFFFAOYSA-N 371.396 3.851 0 40 FHAB Cc1cccc(OCCCC(=O)NCc2ccn(-c3ccccc3F)n2)c1 40150153 SCELOZJIPRRYQR-UHFFFAOYSA-N 367.424 3.795 0 40 FHAB COc1ccc(CN(C)C(=O)COc2cccc(C(F)(F)F)c2)cc1 41103648 XXOLJPBMMLLPCI-UHFFFAOYSA-N 353.340 3.751 0 40 FHAB Cc1nc(C(=O)N2CCC[C@H](c3nnc(-c4cccs4)o3)C2)cs1 42379904 MUSVFQAXMKBBGG-NSHDSACASA-N 360.464 3.583 0 40 FHAB CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC)cc1 222389914 MEDYVIQHPLDUBY-SFHVURJKSA-N 366.505 3.653 0 40 FHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1 223086104 URQSPJYPYKHYAM-DLBZAZTESA-N 370.468 3.700 0 40 FHAB O=C(c1ccccn1)N1CC[C@H](OCC2CC2)[C@@H](Cc2ccccc2)C1 96110603 QZNXVYFINYLUOU-FPOVZHCZSA-N 350.462 3.582 0 40 FHAB CN(Cc1nc(-c2ccccc2)no1)C(=O)CSCc1ccccc1F 96247364 YCZLGLVKXRWWKB-UHFFFAOYSA-N 371.437 3.768 0 40 FHAB Cc1ccccc1NC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 97994277 MDRIEOVFGARZMD-XMHGGMMESA-N 371.400 3.878 0 40 FHAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)c2cccn2C(C)C)cc1 583619075 RMNNTTVOKQXTBG-TZIWHRDSSA-N 356.466 3.590 0 40 FHAB C[C@@H](C(=O)N1CCCC[C@@H]1c1nnc(-c2ccccc2F)o1)n1cccc1 583622144 SAVWDUBIAMPCKI-WMLDXEAASA-N 368.412 3.992 0 40 FHAB Cc1cc([C@H]2CCCCN2Cc2cc[nH]n2)nc(-c2c(C)noc2C)n1 257311264 UISKWJLIIAXABD-QGZVFWFLSA-N 352.442 3.507 0 40 FHAB CC(=O)NC[C@H]1CC[C@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)CC1 257344970 ZZKUAOUCDYBXRM-QAQDUYKDSA-N 367.493 3.783 0 40 FHAB COc1ccc(C(=O)N[C@H](C)Cc2cc3ccccc3o2)c(OC)c1OC 253472137 JSXDHSSDHBGTLX-CYBMUJFWSA-N 369.417 3.820 0 40 FHAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)s1 260916275 IEWRXRPGSOPLCA-XOKHGSTOSA-N 359.520 3.603 0 40 FHAB Cc1csc(C(=O)NC[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)c1Cl 1616053095 VHQIGBFYGZYUDN-DOMZBBRYSA-N 367.902 3.568 0 40 FHAB Cc1cc(Br)cn2c(CNCCc3ccsc3)cnc12 1650797901 OIQINSGCPRLVPH-UHFFFAOYSA-N 350.285 3.799 0 40 FHAB C[Si](C)(C)C1=C[C@H](NC2CCCCC2)n2c(nc3c(N)ncnc32)S1 675009074 FISBIDCXLCORRP-GFCCVEGCSA-N 374.590 3.696 0 40 FHAB COC(=O)[C@@H]1CCN(C(=O)c2ccccc2C(F)(F)F)[C@@H]2CCCC[C@H]12 598866380 JQRCHUZJBODTKZ-XJKCOSOUSA-N 369.383 3.899 0 40 FHAB CC(=O)N1CCC[C@H](NCc2ccc(F)cc2F)[C@@H]1Cc1cccc(C)c1 585286922 XRDPBRYKPHMZQQ-VXKWHMMOSA-N 372.459 3.985 0 40 FHAB Cc1cc(C(=O)CCC(=O)N[C@H](C)CN2CCC[C@H](C)C2)c(C)s1 55402240 JKMTWKBQYOIJFP-UONOGXRCSA-N 350.528 3.564 0 40 FHAB Cc1noc(C)c1CC(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 55647082 VQTXZYNQBAVTAD-AWEZNQCLSA-N 365.433 3.685 0 40 FHAB O=C1CO[C@]2(CCCN(Cc3ccsc3)CC2)CN1c1ccccc1 1615120200 JFFPUTXHCMJROK-FQEVSTJZSA-N 356.491 3.536 0 40 FHAB CCc1nnc(NC(=O)/C=C/c2cc(Cl)c3c(c2)OCCCO3)s1 8061278 XGQHRUGAOKNKFQ-SNAWJCMRSA-N 365.842 3.567 0 40 FHAB O=C(Nc1cccc(-c2ccc3nncn3n2)c1)c1ccc2ccccc2n1 5168603 UOQULBRDFUNKPJ-UHFFFAOYSA-N 366.384 3.592 0 40 FHAB COc1ccc(Cl)cc1NC(=S)Nc1ccc2c(c1)OCCO2 13790765 TYXYMBBRRNBHBK-UHFFFAOYSA-N 350.827 3.929 0 40 FHAB CCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 15653056 RBBRRGOJTFPNRT-MRXNPFEDSA-N 374.506 3.739 0 40 FHAB C[C@H]1CCC[C@H](C)N1C(=O)c1cccc(C(=O)N2[C@H](C)CCC[C@H]2C)n1 17073840 KGZIUBMTJHBSHZ-HMQPTBHHSA-N 357.498 3.888 0 40 FHAB CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccncc2)C1 19081997 CTSCWYPRJHWGPV-AZUAARDMSA-N 366.509 3.592 0 40 FHAB O=C(c1ccccc1)N1CCCC[C@H]1c1nc(-c2ccsc2)cc(=O)[nH]1 19368791 SHRQHTLILUZOTN-KRWDZBQOSA-N 365.458 3.866 0 40 FHAB COCc1c(C(=O)Nc2ccc(CN3CCCCCC3)cc2)noc1C 19666814 YRFIXVRYZHHWTI-UHFFFAOYSA-N 357.454 3.758 0 40 FHAB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(C)o3)C2=O)c1 6473025 QXRRGHUHJKXIHV-CXUHLZMHSA-N 370.430 3.880 0 40 FHAB CC(C)c1nnc(C2CCN(C(=O)NCCCc3ccccc3)CC2)o1 35597702 JWXINKIZLHBOFF-UHFFFAOYSA-N 356.470 3.715 0 40 FHAB [O-][n+]1ccccc1SCc1ccc(CSc2cccc[n+]2[O-])cc1 5780156 FSMQAMIJHYVSHI-UHFFFAOYSA-N 356.472 3.538 0 40 FHAB O=C(CCF)N1C(=O)C2(CCN(c3ccsc3)CC2)[C@@H]1c1ccccc1 1614941074 HRZPDDKECLKKRL-SFHVURJKSA-N 372.465 3.804 0 40 FHAB Cc1csc2nc(-c3cccc(NS(=O)(=O)c4cccnc4)c3)cn12 4249119 LBRYAPDFMQDSPG-UHFFFAOYSA-N 370.459 3.567 0 40 FHAB COc1ccc(-c2cc(=O)n(Cc3cccc(C(F)(F)F)c3)cn2)cc1 23144961 SAIMEEPJKOHHHJ-UHFFFAOYSA-N 360.335 3.986 0 40 FHAB COc1ccc(S(=O)(=O)N(C)[C@@H](C)Cc2ccccc2)c2c1CCCC2 55104350 FQEBFKYTTFMWMH-INIZCTEOSA-N 373.518 3.826 0 40 FHAB O=C(CCCc1cccs1)NCCC(=O)N1CCCc2ccccc21 40122500 YAIWXHGFEJWHSZ-UHFFFAOYSA-N 356.491 3.557 0 40 FHAB O=C(c1cc(Br)ccc1F)N1CCO[C@H](c2ccccc2)C1 30768341 HDUDPEPTMOJMFY-INIZCTEOSA-N 364.214 3.802 0 40 FHAB O=C(CCNC(=O)NC1CCCCC1)Nc1ccccc1N1CCCCC1 32063070 NOIUQAYWXQEJBB-UHFFFAOYSA-N 372.513 3.637 0 40 FHAB O=C(N=c1[nH]c2ccccc2[nH]1)c1ccc2nc(C(F)(F)F)sc2c1 20719763 QSYUFENKGBVKAM-UHFFFAOYSA-N 362.336 3.866 0 40 FHAB CC[C@H](C)N(Cc1ccccc1)C(=O)CCn1cnc2ccccc2c1=O 32492935 PJEXOXGXONWJEM-KRWDZBQOSA-N 363.461 3.614 0 40 FHAB O=C(Nc1nncs1)c1cccnc1Nc1cccc(C(F)(F)F)c1 21216220 NVEVRCNKOPBBKO-UHFFFAOYSA-N 365.340 3.948 0 40 FHAB C[C@H](OC(=O)CCc1nc2ccccc2s1)C(=O)Nc1ccccc1 2625403 JXOLPLFKPLRBGK-ZDUSSCGKSA-N 354.431 3.799 0 40 FHAB CCCCN(C)C(=O)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 2649239 HJRHFWRSOXJATK-AWEZNQCLSA-N 352.740 3.769 0 40 FHAB O=C(Oc1c(CN2CCOCC2)cc(Cl)c2cccnc12)c1ccco1 21548810 XWGBXBKRTBKXTQ-UHFFFAOYSA-N 372.808 3.533 0 40 FHAB OCCNc1ncnc2cc(-c3ccc(Br)cc3)sc12 32806199 DTYOQFPJENENGM-UHFFFAOYSA-N 350.241 3.525 0 40 FHAB COc1cc(OC)c2cc(C(=O)N3c4ccccc4C[C@H]3C)[nH]c2c1OC 32940378 BGAUCFSOASDCRD-GFCCVEGCSA-N 366.417 3.785 0 40 FHAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccoc3C)n2C)c1 4860488 AFOBNWFOTODJAB-UHFFFAOYSA-N 356.451 3.731 0 40 FHAB CCn1c(CC(=O)Nc2ccccc2)nnc1SCc1ccc(F)cc1 6356681 ZBAFCEFHACUQGG-UHFFFAOYSA-N 370.453 3.911 0 40 FHAB CC(=O)c1sc(NC(=O)Cn2cc(C=O)c3ccccc32)c(C#N)c1C 6626014 YVJCLFYAKZOEFO-UHFFFAOYSA-N 365.414 3.537 0 40 FHAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC(C)(C)C)ccc2C)c1 6858614 XXBOFDKSYZORMP-UHFFFAOYSA-N 360.479 3.633 0 40 FHAB O=C(OCC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1)c1ccco1 8447808 XTSZZRDTEBGONL-QGZVFWFLSA-N 363.369 3.603 0 40 FHAB Cc1ccc(N([C@H](C)C(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 8550194 PAAUDDJCIVBQAW-MRXNPFEDSA-N 374.506 3.912 0 40 FHAB Cc1ccccc1CNC(=O)Cn1c(-c2cscn2)nc2ccccc21 18106781 HLPRYBBXVDBELK-UHFFFAOYSA-N 362.458 3.785 0 40 FHAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cccc(O)c3)o2)c1 648129 RZPLRPBBYUUFGL-UHFFFAOYSA-N 355.419 3.790 0 40 FHAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc2c(c1)OCC(=O)N2 22645930 CZFAQICPYLAZNU-UHFFFAOYSA-N 365.216 3.597 0 40 FHAB COc1ccc(S[C@@H](C)C(=O)NCCCc2cccc(OC)c2)cc1 20491005 IPJPZTYRLHBTMV-HNNXBMFYSA-N 359.491 3.933 0 40 FHAB O=c1c2ccsc2ncn1Cc1csc(COc2ccc(F)cc2)n1 25059494 CLAGHCFHDRSOHZ-UHFFFAOYSA-N 373.434 3.681 0 40 FHAB CCOC(=O)CCC(=O)Nc1ccc(C(=O)NC(C)(C)CC)c(Cl)c1 55688438 IOWASCSAHHJTPF-UHFFFAOYSA-N 368.861 3.540 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1 12576826 DEUAOYKCBQEOOZ-HNAYVOBHSA-N 367.424 3.541 0 40 FHAB Cc1cc(C(=O)O)ccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 12526046 ZEEFTWAMNIZZPX-UHFFFAOYSA-N 359.325 3.513 0 40 FHAB COc1cccc(C(=O)N2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)c1O 174697528 SKGREVAPICAIJH-BEFAXECRSA-N 355.434 3.620 0 40 FHAB O=C1C[C@H](Nc2ccccc2F)C(=O)N1c1cccc(Cl)c1Cl 101277067 WNUNKWWKODWHNY-LBPRGKRZSA-N 353.180 3.877 0 40 FHAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCC(N)=O 3263509 VYGMJVRINSYMQE-UHFFFAOYSA-N 354.793 3.506 0 40 FHAB COCCn1c(C)cc(C2=NN=C(Nc3ccccc3OC)SC2)c1C 12610399 KQIIUXVAAIFOHY-UHFFFAOYSA-N 372.494 3.679 0 40 FHAB COc1ccc(NC(=O)[C@@H](C)Nc2nc3ccccc3s2)c(OC)c1 28276425 ZZUJNMVAHTXAFM-LLVKDONJSA-N 357.435 3.753 0 40 FHAB COc1cc(-c2nnc3sc(C4CCCCC4)nn23)cc(OC)c1OC 2351764 ZZTWZBDVRVOFDA-UHFFFAOYSA-N 374.466 3.926 0 40 FHAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)c1cccc(OC)c1 2314179 UQADXVWCUGZJBP-UHFFFAOYSA-N 368.389 3.614 0 40 FHAB C[C@H](OC(=O)c1ccccc1O)C(=O)Nc1nc(-c2ccccc2)cs1 3301244 UQNKZACSSVVQCQ-LBPRGKRZSA-N 368.414 3.700 0 40 FHAB O=C(CCc1nc(-c2ccccc2)no1)Nc1nc(-c2ccc[nH]2)cs1 29352540 KSLQXSMVDRAKDT-UHFFFAOYSA-N 365.418 3.760 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(Cl)cc2)c1C 3433510 LAJOVVYCHXOMPN-UHFFFAOYSA-N 363.797 3.501 0 40 FHAB Cc1c(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)cnn1C(C)C 92312647 UNMBOAKAEFWMRI-NRFANRHFSA-N 368.525 3.975 0 40 FHAB FC(F)(F)CN1CCCN(CCOc2cccc3ccccc23)CC1 65040920 NERHKJQJYVYNRT-UHFFFAOYSA-N 352.400 3.789 0 40 FHAB COC(=O)CCn1c(SCc2ccccc2C)nc2ccccc2c1=O 5349613 KATNWUZBZKUEMQ-UHFFFAOYSA-N 368.458 3.560 0 40 FHAB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)N4CCCCCC4)cc3)C(=O)[C@H]2C1 408676046 CRNGCENUBPXFLT-MNEFBYGVSA-N 368.477 3.628 0 40 FHAB CCN(CC)C(=O)c1cccc(NC(=O)CCC(=O)c2cccs2)c1 14165016 ACGJUKZYYWBOCN-UHFFFAOYSA-N 358.463 3.832 0 40 FHAB Cc1nc(-c2ccc(CNC(=O)c3cc(=O)c4ccccc4o3)o2)cs1 14116949 BYNSZLSMOOWZDB-UHFFFAOYSA-N 366.398 3.748 0 40 FHAB O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(-c2ccccc2)cc1 14138584 QLKRUNGAMFXHGV-UHFFFAOYSA-N 373.456 3.515 0 40 FHAB CC(C)[C@H](C)NC(=O)C1CCN(Cc2cccc3c2OC(C)(C)C3)CC1 92754748 IDQKLLICICINKS-INIZCTEOSA-N 358.526 3.773 0 40 FHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCC(C)C 15081593 XGJZLIPGAKMZCP-UHFFFAOYSA-N 364.486 3.695 0 40 FHAB CCCC[C@@H]1C[C@](C)(C(=O)CSc2nc(-c3ccccc3)n[nH]2)OC1=O 5849724 QYUGBJNYJPZQLB-AUUYWEPGSA-N 373.478 3.645 0 40 FHAB CC[C@@H]1CCCCN1C(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 4979604 OUHLGYLRDVPRAX-OAHLLOKOSA-N 366.461 3.671 0 40 FHAB CNc1nnc(S[C@@H](C)C(=O)c2ccc(Br)cc2)s1 7102467 XNYHJQGYKRKVBQ-ZETCQYMHSA-N 358.286 3.706 0 40 FHAB CCc1ccc(-c2noc(CN(C)Cc3ccc(OC)c(OC)c3)n2)cc1 7729523 MVSWPAUNVAMMDT-UHFFFAOYSA-N 367.449 3.948 0 40 FHAB CCOc1c(Br)cc(C(=O)Nc2ncc(C)s2)cc1OC 7800684 JEXQFSZOEKIZQO-UHFFFAOYSA-N 371.256 3.874 0 40 FHAB O=C(NCc1ccncc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 8025402 NLZXHLUEBCJOGU-UHFFFAOYSA-N 371.849 3.979 0 40 FHAB CC(=O)Nc1ccc2c(c1)CC1(C(=O)CC(C)(C)CC1=O)[C@@H]1CCCCN21 9423412 CGGADLZDEJUMFO-SFHVURJKSA-N 368.477 3.505 0 40 FHAB Cc1nn2c(nnc3c(=O)n(-c4ccccc4F)ccc32)c1-c1ccccc1 19818906 XDVODUTZBZMLJV-UHFFFAOYSA-N 371.375 3.543 0 40 FHAB COc1cccc([C@@H](CNCc2ccc(OC)c(F)c2)N2CCCC2)c1 71810636 KFOWYOIFKMLISG-HXUWFJFHSA-N 358.457 3.770 0 40 FHAB Cc1ccccc1-c1noc(=O)n1Cc1nnc(-c2ccccc2Cl)o1 84247740 ISGQZVPGJSPAOF-UHFFFAOYSA-N 368.780 3.563 0 40 FHAB Fc1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)Nc3nnnn32)cc1 72332419 ZPNAZZJEQDYLJF-LSDHHAIUSA-N 374.217 3.721 0 40 FHAB C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1cc(F)c(F)cc1F 95463360 SMUOVCWKMJTHJN-GFCCVEGCSA-N 351.372 3.746 0 40 FHAB CC(C)Nc1cccc(CNC(=O)Nc2cccc(N3CCOC3=O)c2)c1 75110399 OXMVNGNQZGZKPZ-UHFFFAOYSA-N 368.437 3.785 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 219542730 FNTKSASUBJLUNR-DLBZAZTESA-N 357.450 3.663 0 40 FHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1nc(-c2ccccc2)no1 219380221 VGUKDTUZKQBOAW-QGZVFWFLSA-N 365.433 3.827 0 40 FHAB COc1nn(C)cc1C(=O)Nc1nc2c(cc3c4c(cccc42)CC3)s1 36689009 AUXUHQBNCVQHQV-UHFFFAOYSA-N 364.430 3.543 0 40 FHAB CC1(C)CC(N(Cc2cnc(N)nc2)Cc2ccccc2F)CC(C)(C)N1 36740478 YOXOXJKXSNJEQB-UHFFFAOYSA-N 371.504 3.509 0 40 FHAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN1C(=O)c1ccoc1 33095435 HTDUYNPGRFTXOX-CQSZACIVSA-N 353.205 3.830 0 40 FHAB O=C(Nc1ccccn1)c1cccc(NC(=O)c2c[nH]nc2-c2ccco2)c1 1584260035 PQCHEBJTRXMXDQ-UHFFFAOYSA-N 373.372 3.569 0 40 FHAB Cc1ccc(CS(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 224170982 NRDLKTAXVXDVBB-UHFFFAOYSA-N 352.459 3.923 0 40 FHAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccccc1 225103225 PRKYPRPNBGMTES-NRFANRHFSA-N 353.462 3.918 0 40 FHAB CSc1ccc(S(=O)(=O)N(C)c2ccc(Br)cc2)cc1 224975462 ZFPWHTIQNPUADT-UHFFFAOYSA-N 372.309 3.996 0 40 FHAB CCc1ccc(NC(=O)[C@@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220498417 DVEPKKUAGBRMQP-LJQANCHMSA-N 374.506 3.741 0 40 FHAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1Cl 224149937 CHJSADZLFYDJRA-CYBMUJFWSA-N 351.805 3.750 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(Cc2ccncc2)cc1 45731561 HVLRXNALPGAGEZ-UHFFFAOYSA-N 360.413 3.972 0 40 FHAB O=C(NCc1ccc(N2CCCCC2)nc1)c1ccccc1Br 40118874 ODLFGGZVUULBPW-UHFFFAOYSA-N 374.282 3.764 0 40 FHAB COc1ccc(NC(=O)c2ccc3c(c2)OCC(C)(C)CO3)c(OC)c1 225360541 BMPXQQNRXSBJBQ-UHFFFAOYSA-N 357.406 3.754 0 40 FHAB O=C(c1cccc(Br)c1)c1ccccc1CN1CCOCC1 43211437 LFIBXRXNPSJMLJ-UHFFFAOYSA-N 360.251 3.512 0 40 FHAB COc1ccc(CN2CCC3(CC2)c2cc(OC)ccc2CCN3C)cc1 96100216 QGDFPBNJATXFID-UHFFFAOYSA-N 366.505 3.683 0 40 FHAB COc1cc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCCC[C@H]3O2)c(Cl)cc1O 257302756 SEFIPDNSLLDTKW-ASTDHERZSA-N 353.846 3.579 0 40 FHAB COc1cccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c1OC 260786378 WSQPAEVDIUXOLO-OAUYIBNBSA-N 355.463 3.688 0 40 FHAB Clc1ccc2c(c1)OCCC[C@H]2NC1CCN(c2ncccn2)CC1 1615573584 SRUZVLIFTKXGMB-QGZVFWFLSA-N 358.873 3.602 0 40 FHAB O=C(c1ccccc1)N1CC[C@H]2[C@H](CCCN2C(=O)c2ccccc2F)C1 1775992387 RMEKCZOVSFKJFA-XLIONFOSSA-N 366.436 3.593 0 40 FHAB COc1ccc(CCC(=O)NC[C@](C)(OC)c2cccc(Cl)c2)cc1 96392507 QNVUXSLSNPAZOB-FQEVSTJZSA-N 361.869 3.959 0 40 FHAB O=C(Nc1cccc(-c2nnco2)c1)N1CCC(c2ccc(O)cc2)CC1 44085076 NUAKTYFKTYLGRP-UHFFFAOYSA-N 364.405 3.854 0 40 FHAB COc1ccccc1[C@H]1CCN(C(=O)/C=C/c2ccc(NC(C)=O)cc2)C1 153203697 RNAZYXXOZJZLCE-PEKVBPLLSA-N 364.445 3.683 0 40 FHAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)C1(C)C 54262233 KJYWCRLHMSZGBS-MJGOQNOKSA-N 370.493 3.644 0 40 FHAB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)c(OC)c1 7066354 MKCXGAFPNWAKMH-MDWZMJQESA-N 372.808 3.911 0 40 FHAB COc1ccc(CNC(=O)/C=C/c2ccc(OC(F)F)c(OC)c2)cc1 3411885 WDFIWHLLYMRMPK-UXBLZVDNSA-N 363.360 3.635 0 40 FHAB CCc1ccc(NC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)cc1 5268928 CPPHYDMMAAORQX-UHFFFAOYSA-N 350.393 3.850 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)c1nc(Cl)ccc1Cl 11712576 FKHDQJUUJLDAQN-UMNHJUIQSA-N 359.253 3.629 0 40 FHAB O=C(c1cc(-c2ccco2)n[nH]1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 12116122 LTRXZSZITSLJPB-KRWDZBQOSA-N 361.405 3.913 0 40 FHAB O=c1[nH]c2cc3c(cc2cc1CNc1cccc2c1CCCC2)OCCO3 13086671 AGVNKUNUSBIEMS-UHFFFAOYSA-N 362.429 3.790 0 40 FHAB O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1NC(=O)c1ccco1 14153009 ZPQPQRSSBZGMKH-UHFFFAOYSA-N 358.781 3.803 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C)cc2)cc1 16597913 SIMDUMMPKRALTC-UHFFFAOYSA-N 374.506 3.597 0 40 FHAB CCn1c(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)cnc1SC 19524182 YUXOGBZWGVUDIA-HNNXBMFYSA-N 355.511 3.881 0 40 FHAB Cc1ncsc1C(=O)N1CCN(Cc2ccccc2F)C[C@@H]1C(C)C 19562184 CYEARMIPKHHGCA-QGZVFWFLSA-N 361.486 3.573 0 40 FHAB O=C(C1CCC1)N1CCC([C@H]2CCCCN(Cc3ccccc3)C2=O)CC1 19703437 AUYARTUTNJHCDM-OAQYLSRUSA-N 368.521 3.854 0 40 FHAB CCOc1ccc([C@@H]2CCCN2Cc2cnc(N3CCOCC3)s2)cc1 19715685 YECSPGFDSNKOID-IBGZPJMESA-N 373.522 3.716 0 40 FHAB CCCCOc1ccc(C2=N/C(=C\c3ccc4c(c3)OCO4)C(=O)O2)cc1 4644541 LRRJZLBHTYPFPG-BOPFTXTBSA-N 365.385 3.939 0 40 FHAB NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCN(Cc2ccccc2)C1 19371779 HMMNPDMIGGILQJ-DEOSSOPVSA-N 371.484 3.669 0 40 FHAB FC(F)(F)c1cc(OC2CN(Cc3ccnc4ccccc34)C2)ccn1 1888913461 OUWPWLWGTDIQQD-UHFFFAOYSA-N 359.351 3.912 0 40 FHAB Cn1cc(-c2ccc(CCNC(=O)c3ccc(Cl)s3)s2)cn1 1889186672 HRNGXEJAJNJPSG-UHFFFAOYSA-N 351.884 3.836 0 40 FHAB CC(C)c1ncnc(N(C)[C@@H]2CCCN(c3cc(C4CC4)ncn3)C2)c1F 2087131231 CCVUCUBRUHNSJP-OAHLLOKOSA-N 370.476 3.512 0 40 FHAB O=C(N[C@@H](c1cccs1)C1CCOCC1)c1cccc(-n2cccn2)c1 1565523373 MIOPUWLDBFPXSZ-LJQANCHMSA-N 367.474 3.832 0 40 FHAB COc1cccc(C(=O)N2CCN=C2SCc2cccc(F)c2)c1OC 4119864 KQXKIZPNSRFKMO-UHFFFAOYSA-N 374.437 3.588 0 40 FHAB CC(C)(C)C(=O)NCCc1csc2nc(-c3ccc(Cl)cc3)nn12 4374851 IKSFNJOFULSYHH-UHFFFAOYSA-N 362.886 3.816 0 40 FHAB CCCCN1C(=O)CCc2cc(NC(=O)COc3ccc(F)cc3)ccc21 9137328 XRZIPKHAFSWWCU-UHFFFAOYSA-N 370.424 3.923 0 40 FHAB O=C(COc1ccccc1F)OCc1cc(-c2ccc(F)cc2F)on1 11613690 GRKSFJBBPBLJND-UHFFFAOYSA-N 363.291 3.881 0 40 FHAB CCC(=O)N1CCCc2ccc(NS(=O)(=O)Cc3cccc(C)c3)cc21 12180593 NQRSQMKAOZQSCS-UHFFFAOYSA-N 372.490 3.626 0 40 FHAB CCCn1nc(-c2cccs2)c2sc(N3CCCCC3)nc2c1=O 23108879 DIXJLGHYSHTFMB-UHFFFAOYSA-N 360.508 3.982 0 40 FHAB COc1cccc(-c2nnc(NC(=O)c3ccc(Br)cc3)o2)c1 4276039 CKAYZJJRICKQFM-UHFFFAOYSA-N 374.194 3.760 0 40 FHAB CN(C)[C@H](CNC(=O)c1cc(-c2ccccc2)nc2ccccc12)C1CC1 40152084 BXEYOYCEZDHDJY-JOCHJYFZSA-N 359.473 3.972 0 40 FHAB CCOC(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3cccs3)cs2)C1 32764390 RBQGCSJBSKPNBG-LLVKDONJSA-N 365.480 3.679 0 40 FHAB Cc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1F 1343750 GZXDBVMRNCJHPP-KRWDZBQOSA-N 359.376 3.908 0 40 FHAB CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)OC2CCCC2)cc1 1703577 KAPHDOXBNZRIMW-UHFFFAOYSA-N 368.499 3.988 0 40 FHAB COc1cccc(-n2ccnc2SCC(=O)N2[C@@H](C)CCC[C@@H]2C)c1 32885302 SJLFVJBSAFHXGM-GJZGRUSLSA-N 359.495 3.763 0 40 FHAB CC(C)c1nc2cc(NC(=O)[C@@H](C)NC(=O)c3cccs3)ccc2o1 32818783 PKLFXLLKYGAXRB-LLVKDONJSA-N 357.435 3.770 0 40 FHAB O=C(NCCc1ccccc1F)N1CCN(c2ccccc2Cl)CC1 32843809 JVCSJILLXYNBLQ-UHFFFAOYSA-N 361.848 3.553 0 40 FHAB Cc1ccc(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)cc1F 3661499 NRSHWSYQYWXVOC-UHFFFAOYSA-N 356.275 3.943 0 40 FHAB Cc1nc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc1-c1ccccc1 3893771 AGJLIBAXLKMHRW-BARDWOONSA-N 356.447 3.804 0 40 FHAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CN[C@@H](C)CC 2635079 OJTKPZPGHSNOJW-ZDUSSCGKSA-N 360.479 3.918 0 40 FHAB C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1cccs1)c1cccc(Cl)c1 32973804 DSSWFAXTZFXUNL-IUODEOHRSA-N 362.882 3.884 0 40 FHAB COC(=O)c1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(c2cc(F)ccc2F)C(=O)N1 4852886 ILGAOPRKZGSNDU-LIRRHRJNSA-N 374.343 3.521 0 40 FHAB O=C(Cc1cccc(F)c1)Nc1ccc(I)cc1 7772119 KFWIRFASXNTAKQ-UHFFFAOYSA-N 355.150 3.612 0 40 FHAB O=C(CCc1ccsc1)Nc1cc2c(cc1Br)OCCO2 21898087 XJDWKNFFCRBTOW-UHFFFAOYSA-N 368.252 3.853 0 40 FHAB CC(=O)c1cccc(NC(=O)Cn2c(-c3ccc(C)cc3)n[nH]c2=S)c1 52818486 IOFKFQJFDOQOET-UHFFFAOYSA-N 366.446 3.757 0 40 FHAB CCc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 106711250 LYUGHHVXIQDTBK-ATVHPVEESA-N 366.442 3.924 0 40 FHAB CCOc1ccc2c(c1)C1(CCC(O)CC1)C(=O)N2Cc1ccccc1 22011707 JEUYNFRWXAUFNC-UHFFFAOYSA-N 351.446 3.805 0 40 FHAB CCn1c(S)nc2cc(C(=O)N(C)c3cc(C)cc(C)c3)ccc2c1=O 103702630 MGXDUOMVRXCCLT-UHFFFAOYSA-N 367.474 3.599 0 40 FHAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(Cl)nc1 2616501 RAUQNAQFYBWADQ-UHFFFAOYSA-N 367.840 3.972 0 40 FHAB COc1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1OC 9063467 DVLDBQCZLXRIHF-UHFFFAOYSA-N 372.440 3.694 0 40 FHAB CC[C@H](C)NC(=O)COC(=O)C1(c2cccc(Cl)c2)CCCCC1 22978232 BNBXLRKCQZGSLI-AWEZNQCLSA-N 351.874 4.000 0 40 FHAB CCOc1cc2c(cc1NC(=O)c1cc3ccccc3c(=O)[nH]1)O[C@@H](C)C2 23008491 BFLAHAVLRQFSFV-LBPRGKRZSA-N 364.401 3.503 0 40 FHAB O=C(O)c1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)ccc1Cl 47318107 HWUOFBHQIJZNQS-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB CCOc1ccccc1N1CCN(C(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1 24713774 VYKYBNCGQFRFLD-XLIONFOSSA-N 356.510 3.972 0 40 FHAB O=C1C[C@H](c2cccnc2)c2c(ncn2-c2cccc(C(F)(F)F)c2)N1 78546742 TZARTZVSSFNKNX-CQSZACIVSA-N 358.323 3.760 0 40 FHAB CCOc1cccc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)c1 28288167 PGAXLKDMKJLVEC-NRFANRHFSA-N 368.477 3.661 0 40 FHAB biogenic NC(=O)[C@@H](c1ccc(Cl)cc1)c1ccc(Sc2ccccc2)nn1 1401089 LQYREYJOGBDEBY-KRWDZBQOSA-N 355.850 3.898 0 40 FHAB O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CC[C@@H]2OCCC[C@@H]2C1 97019292 UBMUZPOCKOVNOM-UTKZUKDTSA-N 361.445 3.667 0 40 FHAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 107567869 JRDIDRDZYAUWKC-WBTNSWJXSA-N 370.522 3.857 0 40 FHAB COc1ccc([C@H]2Cn3nc(-c4nc(C(C)(C)C)no4)cc3CO2)cc1 97077852 CXBNGDDVOXJJIP-MRXNPFEDSA-N 354.410 3.511 0 40 FHAB COc1cc(CN(C)CC(=O)Nc2cc(C(C)C)no2)ccc1SC 58157480 ONUUZTGQPWNFRS-UHFFFAOYSA-N 363.483 3.599 0 40 FHAB C[C@@H](NCC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1ccccc1 58137325 XJABFZDAAYDPJX-MRXNPFEDSA-N 365.477 3.648 0 40 FHAB C[C@@H](C1CC1)N(C)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 58191909 UFNPLQOOUIAGRW-ZDUSSCGKSA-N 357.479 3.669 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Oc2cccc(OC)c2)c1 20459620 YWSYDRFKKDSGPK-NSHDSACASA-N 363.797 3.541 0 40 FHAB O=C(Cc1cnn(-c2ccccc2)c1)N[C@H]1CCCC[C@@H]1C(F)(F)F 58151932 LABXVJYEVJNPPE-HOTGVXAUSA-N 351.372 3.652 0 40 FHAB COc1ccc(-c2nonc2NC(=O)COc2c(C)cccc2C)cc1C 27664655 KTTUHACRFGDOMD-UHFFFAOYSA-N 367.405 3.688 0 40 FHAB CCCCC[C@@H](O)CC[C@H]1[C@@H](O)CC(=O)[C@H]1CCCCCCC(=O)O 27639709 DPOINJQWXDTOSF-NTDBWNAOSA-N 356.503 3.699 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)Nc1nc(-c2ccccc2)ns1 27662173 LOAGPBDATYDOPM-LBPRGKRZSA-N 355.419 3.620 0 40 FHAB COc1ccc(CCNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 61109759 ULAOAVDLJISIIZ-UHFFFAOYSA-N 363.461 3.529 0 40 FHAB COc1ccc(-c2nnc3sc(Cc4cccs4)nn23)cc1OC 2193242 UQMVXYMPQDXLMA-UHFFFAOYSA-N 358.448 3.522 0 40 FHAB O=C(CSc1cccc[n+]1[O-])Nc1ccccc1Oc1ccccc1 3224135 ADTUHYKLZVMHOT-UHFFFAOYSA-N 352.415 3.843 0 40 FHAB CC(=O)N(C)Cc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c1 45032387 ZTAKRKKWZDBVRP-HZPDHXFCSA-N 356.388 3.972 0 40 FHAB O=C(c1ccc2c(c1)CCC2)N1CCN(Cc2c(F)cccc2Cl)CC1 22089129 DAAJLKMLWXAIHU-UHFFFAOYSA-N 372.871 3.926 0 40 FHAB Cc1cccc(C(=O)Nc2ccccc2NS(=O)(=O)c2cccs2)n1 36831640 VHEUPOVDKSBCQC-UHFFFAOYSA-N 373.459 3.505 0 40 FHAB COC[C@@H](C)n1c(SCCc2ccccc2)nc2ccccc2c1=O 12780544 XCHGEDNOLJWQPH-OAHLLOKOSA-N 354.475 3.939 0 40 FHAB O=C(COC(=O)/C=C/c1ccco1)Nc1nc(-c2ccc(F)cc2)cs1 3433537 FOEJRBGGTMMILS-BQYQJAHWSA-N 372.377 3.737 0 40 FHAB CSCc1ccc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1 12998886 KJIAEFPTRXPLTO-UHFFFAOYSA-N 354.475 3.828 0 40 FHAB CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]2Cc2ccccc2)cn1 69950551 MXBBXUXDBAEYEG-HXUWFJFHSA-N 366.509 3.845 0 40 FHAB CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(C)cc2)N2C(=O)[C@H](C)SC2=N1 3904332 WJQXZXCWWWSKHR-YOEHRIQHSA-N 372.490 3.843 0 40 FHAB COc1cc(Cn2cnc3cc(Cl)ccc3c2=O)ccc1OC(F)F 17735589 DMKWXMFVJFDWQP-UHFFFAOYSA-N 366.751 3.708 0 40 FHAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc[nH]c1=O 65514715 SJDIOGGOOQANJH-UHFFFAOYSA-N 364.188 3.897 0 40 FHAB C[C@@H]1CCCCN1Cc1nc2c3c4c(sc3ncn2n1)COC(C)(C)C4 5340820 ZXFQKFFQXIFMEZ-GFCCVEGCSA-N 371.510 3.565 0 40 FHAB NC(=O)c1ccc(NC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 14115442 VVIPQMNMSABTTN-UHFFFAOYSA-N 364.376 3.756 0 40 FHAB Cc1ccccc1CCNC(=O)[C@H](C)n1c(S)nnc1-c1cccs1 65604753 BAEWZVJADZSORU-ZDUSSCGKSA-N 372.519 3.524 0 40 FHAB CCCCn1c(SCc2nnc(C)o2)nc2sc(C)c(C)c2c1=O 8753952 YWPCLXVYUPKIKE-UHFFFAOYSA-N 364.496 3.859 0 40 FHAB Cc1ccc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)sc2c1 5443082 MYNOXPBWJAHVJZ-UHFFFAOYSA-N 364.430 3.726 0 40 FHAB Cc1ccc(-c2nnc3n2N=C(c2cc4ccccc4oc2=O)CS3)cc1 6550280 KESHENUEVDNQCA-UHFFFAOYSA-N 374.425 3.718 0 40 FHAB Cc1ccc(N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c(C)c1 6626889 MSUUHKNGLOFYTN-UHFFFAOYSA-N 372.534 3.938 0 40 FHAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)CCCc2ccccc2)cc1 4740426 KTCDTRCNIDNMQQ-MRXNPFEDSA-N 374.506 3.725 0 40 FHAB CCOc1ccccc1NC(=O)c1nnn(-c2ccccc2Cl)c1C 4938490 ZKGXOGYBTHAQTQ-UHFFFAOYSA-N 356.813 3.880 0 40 FHAB CC(C)CNc1nnc(S[C@H](C(=O)NC2CC2)c2ccccc2)s1 7268506 YVNAUPGHRFRURD-AWEZNQCLSA-N 362.524 3.718 0 40 FHAB Cc1noc(C)c1CNC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 67759890 VOJCUXCQJGJWSR-OAHLLOKOSA-N 356.451 3.948 0 40 FHAB COCCN1C(=O)c2oc3cc(C)ccc3c(=O)c2[C@@H]1c1ccc(C)cc1 8917072 PEFCVRMWHPISBC-IBGZPJMESA-N 363.413 3.601 0 40 FHAB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c(C)n1C 7798918 KGIRKHIAFJEYNF-UHFFFAOYSA-N 367.478 3.605 0 40 FHAB CN(Cc1cccc(F)c1)C(=O)CN1CCC[C@H]1CCc1ccccc1 70016941 HPLQZDJLGFGACK-NRFANRHFSA-N 354.469 3.881 0 40 FHAB COc1ccccc1/C=C/C(=O)Nc1cc(Cl)ccc1N1CCOCC1 8392351 ATBSLAUBLMNZFM-RMKNXTFCSA-N 372.852 3.837 0 40 FHAB Cc1ccccc1CNC(=O)CSc1nnc2sc3ccccc3n12 9157691 HPRFKIDXHIUQCO-UHFFFAOYSA-N 368.487 3.661 0 40 FHAB Cc1ncsc1CCOC(=O)[C@H]1CCn2c(cnc2-c2ccccc2)C1 96013407 XZDPQUHYYWDTOQ-INIZCTEOSA-N 367.474 3.663 0 40 FHAB COC(=O)c1cc(-c2ccccc2)sc1NC(=S)n1cc(C)cn1 17073800 CNYQNWVMXLBWLX-UHFFFAOYSA-N 357.460 3.952 0 40 FHAB Cn1c(SCC(=O)Nc2ccnn2C2CCCC2)nc2ccccc21 9378271 LMDRTTOITUMLJC-UHFFFAOYSA-N 355.467 3.616 0 40 FHAB CC(C)(C)OC(=O)NC[C@@H](NC(=O)Nc1cccnc1)C1CCCCC1 72275354 RBEGTOGRTRDRCO-MRXNPFEDSA-N 362.474 3.677 0 40 FHAB CCn1c([C@H]2CCCN(C(=O)Cc3cc(C)ccc3C)C2)n[nH]c1=S 78622382 SLJUDUJZUZOHDT-HNNXBMFYSA-N 358.511 3.526 0 40 FHAB CC(=O)N(CCC(=O)N1C[C@H](C)[C@H]1c1ccccc1)Cc1ccccc1 72303333 QYGROTYDDOSIDC-JTSKRJEESA-N 350.462 3.645 0 40 FHAB CCc1nnc(S[C@@H](C)C(=O)Nc2nc(C)c(C)s2)n1CC(C)C 72192017 OQEGTOIWKBNXFP-LBPRGKRZSA-N 367.544 3.689 0 40 FHAB C[C@H]1CCc2c(C(=O)Nc3ccn(Cc4ccncc4)n3)csc2C1 84700254 VHYQLQBJOGKEEG-ZDUSSCGKSA-N 352.463 3.765 0 40 FHAB CCCn1nc(C(=O)Nc2c(F)cc(F)cc2-c2ccccc2)ccc1=O 84759117 MBIXACXPXGJEGF-UHFFFAOYSA-N 369.371 3.851 0 40 FHAB CCc1cc(=O)n2nc(N3CC[C@](C)(CCc4ccccc4)C3)sc2n1 75106861 QEATVSUFBUQQDD-FQEVSTJZSA-N 368.506 3.563 0 40 FHAB Cc1ccc(-c2nnc([C@H]3CCCN3C(=O)c3scnc3C)o2)s1 60016716 HTRRKSXCMRCXOW-LLVKDONJSA-N 360.464 3.849 0 40 FHAB O=C1OC(c2ccco2)=N/C1=C/c1ccccc1OC(=O)c1ccccc1 408839237 PFLZEKJIUWEDJF-DTQAZKPQSA-N 359.337 3.843 0 40 FHAB Cc1cccn2c(=O)cc(CSCC(=O)Nc3ccc(Cl)cc3)nc12 33026702 BGQVAYXTHNCLAY-UHFFFAOYSA-N 373.865 3.528 0 40 FHAB COc1ccc(S[C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)cc1OC 38757124 SJTSUAGTLAEIDO-GFCCVEGCSA-N 374.462 3.782 0 40 FHAB Cc1ccc([C@@](O)(CCNC(=O)c2c[nH]c3ccccc23)C(F)(F)F)o1 32937554 SOXXNIARYBMUSS-KRWDZBQOSA-N 366.339 3.639 0 40 FHAB CCN(CC)c1ncccc1[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 72212906 IAFRVDORRVXJBU-LJQANCHMSA-N 373.522 3.762 0 40 FHAB COc1cccc2sc(N(C)CC(=O)N[C@H](C)c3ccccc3)nc12 70973205 OQCCATZHPHMARW-CYBMUJFWSA-N 355.463 3.619 0 40 FHAB Cc1nc(Nc2nnc(C)s2)cc([C@@H]2CCCN2C(=O)C2CCCC2)n1 72360319 VINJXQFHQCBHHD-HNNXBMFYSA-N 372.498 3.542 0 40 FHAB Cc1ccccc1[C@@H](C(=O)O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 563285271 XOXYDGQNTGSGDJ-LPHOPBHVSA-N 355.409 3.855 0 40 FHAB CC[C@H](C)Oc1ccc(NC(=O)C2(OC)CCCCC2)cc1C(=O)OC 225805050 SGQQVNDLZWPVIK-AWEZNQCLSA-N 363.454 3.938 0 40 FHAB CCc1nnc2sc(-c3ccc(N4Cc5ccccc5C4=O)cc3)nn12 226287122 VZWQCFSKSUAKII-UHFFFAOYSA-N 361.430 3.576 0 40 FHAB Cc1ccc(OCCNS(=O)(=O)c2ccc3ccccc3c2)c(C)c1 223986304 KVGYDQNYXRDFAZ-UHFFFAOYSA-N 355.459 3.814 0 40 FHAB COc1cccc(-c2noc(CNC(=O)CCc3ccccc3Cl)n2)c1 220020484 NCAVNPWJLCOHRB-UHFFFAOYSA-N 371.824 3.648 0 40 FHAB COc1ccc([C@@H]2[C@H](C(=O)O)c3ccccc3C(=O)N2CC(C)C)cc1 49466887 HKAVJJZFWLVSAZ-RTBURBONSA-N 353.418 3.717 0 40 FHAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1C 225201360 NFBCPZZEFUMUJR-UHFFFAOYSA-N 352.434 3.882 0 40 FHAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCC(C)C)c1 225704429 LJXZGLNCTWWVFE-AQTBWJFISA-N 356.491 3.990 0 40 FHAB CCOC(=O)c1cccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)c1 44911535 NEIMNFABMVOJSW-UHFFFAOYSA-N 363.417 3.669 0 40 FHAB C[C@H](CNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccccc1 225139016 GBXNQZKQLYXYTM-VKZJTJHYSA-N 374.440 3.970 0 40 FHAB COc1cc(NC(=O)Nc2ccc3c(c2)OCO3)c(OC)cc1Cl 41450322 SUPADLDORORDDX-UHFFFAOYSA-N 350.758 3.730 0 40 FHAB CN1CCC(Oc2ccc(CNC(=S)Nc3ccccc3F)cc2)CC1 225772353 LCWZOHKIVWWVSX-UHFFFAOYSA-N 373.497 3.785 0 40 FHAB Cc1ccsc1C(=O)N1CC[C@]2(CCCN(Cc3nccs3)C2)C1 96215789 VSFXZSDDMXNFER-SFHVURJKSA-N 361.536 3.641 0 40 FHAB COc1cccc(C(=O)N2CCC(C(=O)Nc3c(C)cccc3C)CC2)c1 242858237 GDRYIHBHIMGFKN-UHFFFAOYSA-N 366.461 3.803 0 40 FHAB Cc1csc(Nc2nccnc2[C@@H]2CCCN(Cc3cscn3)C2)n1 257319751 VTYHOVBEMFGRKG-CYBMUJFWSA-N 372.523 3.821 0 40 FHAB O=C(N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1onc2c1CCCC2 616471277 UEMHBIVXMHSPGT-ZIAGYGMSSA-N 364.449 3.886 0 40 FHAB C[C@@]1(CNC(=O)c2cccc(NCc3cncs3)c2)CCO[C@@H]1C1CC1 1123789624 MVYWMUVKXIWZKI-QUCCMNQESA-N 371.506 3.690 0 40 FHAB O[C@H](COc1ccc2cc[nH]c2c1)CN1CCC[C@@H](Cc2ccccc2)C1 1657201916 URUUEWNBVJISST-FPOVZHCZSA-N 364.489 3.862 0 40 FHAB Cn1c(NC(=O)[C@H]2CCN(c3ccccc3F)C2)nc2cc(Cl)ccc21 685666534 BEXJKGQFGJQZNK-LBPRGKRZSA-N 372.831 3.831 0 40 FHAB CSc1ccc([C@H](O)CNC(=O)c2ccccc2C(F)(F)F)cc1 96103114 BVDDIMJDPAVORQ-OAHLLOKOSA-N 355.381 3.891 0 40 FHAB C[C@H]1Oc2ccccc2N(CCN(Cc2ccco2)C2CCCC2)C1=O 89919842 GULGVVVHSWQIGM-MRXNPFEDSA-N 354.450 3.838 0 40 FHAB Cc1ccc2c(c1)OC1(CCN(C3CCOCC3)CC1)[C@H]1CCCO[C@H]21 1615527110 XUWSLOVYCGKHLP-PZJWPPBQSA-N 357.494 3.869 0 40 FHAB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)NCc3ccccc3)n2)cc1 5179814 WNCAMIZITAKOBJ-CQSZACIVSA-N 366.490 3.831 0 40 FHAB O=C(NCc1noc(-c2ccccc2)n1)c1ccnc2ccc(Cl)cc12 12203050 QPDKPMJYUQWKIG-UHFFFAOYSA-N 364.792 3.868 0 40 FHAB COc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)cc1 12471581 DTLMODTYDZBMGJ-AWEZNQCLSA-N 371.412 3.717 0 40 FHAB Cc1ccc(CN(Cc2ccncc2)Cc2ccnc(N3CCCC3)n2)cc1 19210180 BMBQMMKQCGEGPL-UHFFFAOYSA-N 373.504 3.983 0 40 FHAB Cc1cnc(-c2nnc(C3CCN(C(=O)CC4CCCCC4)CC3)o2)cn1 19239215 BTOHZEDDVKWWRY-UHFFFAOYSA-N 369.469 3.511 0 40 FHAB C[C@@H](NC(=O)c1cc2c([nH]c1=O)CCC2)c1cc2cc(Cl)ccc2o1 19458589 GDJRVMNFCFXSPL-SNVBAGLBSA-N 356.809 3.754 0 40 FHAB CCc1ccccc1Nc1noc2c1CN(C(=O)Cc1ccccn1)CC2 19523061 IQCQGBGXZDVEIE-UHFFFAOYSA-N 362.433 3.503 0 40 FHAB CC(C)CNC(=O)c1cc([C@@H]2CCN(CC3CC3)C2)nc2ccccc12 19761470 SQPJHCTUMKTRAF-QGZVFWFLSA-N 351.494 3.820 0 40 FHAB Cn1nccc1CCC(=O)N1CCCCCCCc2ccccc2OCC1 643585083 ZLOZHDMSNHVRNY-UHFFFAOYSA-N 369.509 3.767 0 40 FHAB CC(C)c1nc(C2CCN(C(=O)c3cscn3)CC2)c2cccnc2n1 12220500 BFPWZMRDJPPNNP-UHFFFAOYSA-N 367.478 3.625 0 40 FHAB O=C(CN(CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1)N1CCC1 19376023 SLJSRWLCFMGXRH-UHFFFAOYSA-N 365.452 3.584 0 40 FHAB COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(C)cc2C)cc1 6046481 QGTBDMYGOIWQNL-LJQANCHMSA-N 365.433 3.579 0 40 FHAB CCCN(Cc1ccc(C)cc1)C(=O)CCNC(=O)c1cccc(C)c1 24840315 TXYORCSJIBQMPN-UHFFFAOYSA-N 352.478 3.862 0 40 FHAB O=C(NCc1cccnc1OCC(F)(F)F)c1ccc(F)cc1Cl 33107958 KKVJNGZKAOEJLZ-UHFFFAOYSA-N 362.710 3.745 0 40 FHAB COc1ccc(CC(=O)Nc2cc(-c3cn4cccnc4n3)ccc2C)cc1 4033103 JJSZCSXZRUCQAP-UHFFFAOYSA-N 372.428 3.895 0 40 FHAB Cc1nc(C)c(C(=O)Nc2ccccc2NC(=O)c2ccccn2)s1 38678718 XVFRIXXYTPVQBU-UHFFFAOYSA-N 352.419 3.660 0 40 FHAB O=C(Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2)Nc1c(F)cccc1F 38713200 LOHVFDUPOXXKNK-UHFFFAOYSA-N 371.387 3.904 0 40 FHAB CCCn1c(O)c(C(=O)Nc2c(C)cccc2C)c(=O)c2ccccc21 5444289 FALVMOSNENSPLS-UHFFFAOYSA-N 350.418 3.986 0 40 FHAB C[C@@H](Sc1nncn1-c1ccccc1F)C(=O)NCC1CCCCC1 6129279 ZCAWMDXPUAMNGS-CYBMUJFWSA-N 362.474 3.584 0 40 FHAB COC(=O)c1ccccc1C(=O)N1CCC(CSc2ccccn2)CC1 85557542 RYTOTBSLBCFZIM-UHFFFAOYSA-N 370.474 3.513 0 40 FHAB C[C@H]1CN(c2ccc(NC(=O)OCC(F)(F)F)cc2F)C[C@@H](C)O1 40158830 WZBWMFIICCROCS-AOOOYVTPSA-N 350.312 3.550 0 40 FHAB in-vitro O=C(CCc1c[nH]c2ccccc12)Nc1cccc(CN2CCOC2=O)c1 40118893 WDQKALRNCLNURS-UHFFFAOYSA-N 363.417 3.691 0 40 FHAB O=C(COC(=O)c1ccc(Cl)cc1)NCc1cccc(C(F)(F)F)c1 51356315 LPEQIFVPBFQEEY-UHFFFAOYSA-N 371.742 3.832 0 40 FHAB O=C1Nc2ccccc2[C@@]12CC(O)=Nc1c2cnn1-c1ccccc1Cl 20730510 BEJSMIRWNDWMMW-LJQANCHMSA-N 364.792 3.756 0 40 FHAB CC(=O)Nc1cc(NCc2cn(-c3ccc(Cl)cc3)nn2)ccc1F 79099534 BTAHYCOVAYPEJY-UHFFFAOYSA-N 359.792 3.630 0 40 FHAB CCn1cc(S(=O)(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)cn1 79052787 RIZFVQYZOPIDJM-UHFFFAOYSA-N 373.482 3.628 0 40 FHAB CCOc1ccc(N2C[C@@H](C(=O)Oc3ccc(C)c(C)c3)CC2=O)cc1 3566076 SIRWNYFWRLRIEV-INIZCTEOSA-N 353.418 3.661 0 40 FHAB COc1ccc2nc(C)c(C(=O)N3CCN(c4ccccc4)CC3)cc2c1 4622881 WKQBMPSCLQXOGA-UHFFFAOYSA-N 361.445 3.514 0 40 FHAB CC(C)C(=O)Nc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1Cl 6374996 LUFLFJYDHJNGHD-UHFFFAOYSA-N 360.797 3.916 0 40 FHAB O=C(CCc1ccccc1Cl)N1CCC[C@H](c2nnc3ccccn23)C1 32904397 YYNFLEJROYCGNN-INIZCTEOSA-N 368.868 3.722 0 40 FHAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1 7708307 MHNISNOFHDJOMH-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB OC1=C2C(=Nc3nonc3N[C@@H]2c2ccc(O)cc2)C[C@H](c2ccco2)C1 102751569 PMDCRLRZLHARNO-APPDUMDISA-N 364.361 3.997 0 40 FHAB C[C@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(Cc2cccc(F)c2)C1=O 47360124 IKWQLRRDWQSYJO-QGZVFWFLSA-N 366.314 3.812 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)c2ccccc2Br)cc1 10542566 SQUDKOGUQOANOK-GFCCVEGCSA-N 364.239 3.655 0 40 FHAB CC(C)Oc1cccc(CCCNS(=O)(=O)Cc2ccccc2F)c1 10543293 RLHBOUFYVSAYFU-UHFFFAOYSA-N 365.470 3.665 0 40 FHAB Cc1ccnn1-c1ccc(C(=O)OCc2nc(-c3ccsc3)no2)cc1 8254979 REKUXQAPIPZVTJ-UHFFFAOYSA-N 366.402 3.649 0 40 FHAB COc1cc(C(=O)Nc2cc(C)nc3ccccc23)cc(OC)c1OC 8657079 KNCAEJXAXSMHKH-UHFFFAOYSA-N 352.390 3.821 0 40 FHAB C[C@@H](NC(=O)CCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 22198025 QHKRUWRMWZPDOC-QGZVFWFLSA-N 371.912 3.730 0 40 FHAB Cc1ccccc1OC[C@@H](C)NC(=O)C1(c2ccccc2)CCOCC1 56324987 SVQYCXRHUBZTIY-GOSISDBHSA-N 353.462 3.627 0 40 FHAB CNC(=O)c1ccccc1NC(=O)/C=C/c1c(C)nn(-c2ccccc2)c1C 22978700 OGOHQAJKJYVZBK-BUHFOSPRSA-N 374.444 3.501 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 8514278 DZWOFEVWFJFIHR-GOSISDBHSA-N 373.474 3.682 0 40 FHAB Oc1c([C@H](c2ccccc2)N2CCc3ccccc3C2)sc2ncnn12 22609217 SQGAXWZVRYTQSD-KRWDZBQOSA-N 362.458 3.644 0 40 FHAB CC1(C)Cc2cccc(OCCNC(=O)Cc3c[nH]c4ccccc34)c2O1 24449002 WNSPRIMJAOEEIS-UHFFFAOYSA-N 364.445 3.619 0 40 FHAB C[C@H](Sc1nnc(-c2ccco2)o1)C(=O)N1CCCc2ccccc21 20980028 KFQAHTUAONWMCY-LBPRGKRZSA-N 355.419 3.790 0 40 FHAB Fc1cc2c(c(CN3CCN(c4cccc(Cl)c4)CC3)c1)OCOC2 12635498 HOMNHLKAPMAQAL-UHFFFAOYSA-N 362.832 3.668 0 40 FHAB C[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccccc1Cl 25455144 IAZMBLJMRFTCRS-AWEZNQCLSA-N 356.853 3.953 0 40 FHAB C[C@H](NCc1cccc(Cn2cccn2)c1)C(=O)Nc1ccccc1Cl 56207960 PAFIIONSPBKHSK-HNNXBMFYSA-N 368.868 3.702 0 40 FHAB Cc1nc(C2(NC(=O)c3cc(F)c(F)cc3Cl)CCCCC2)no1 26491413 NQLHUSYEXAJUPH-UHFFFAOYSA-N 355.772 3.899 0 40 FHAB CCCCOC(=O)CSc1nnc(-c2ccc(Br)cc2)o1 2061130 OAWVFIBRQKRBPR-UHFFFAOYSA-N 371.256 3.935 0 40 FHAB CCCS(=O)(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1C 58192531 LLQIBCOOJXYRTB-UHFFFAOYSA-N 360.479 3.718 0 40 FHAB CSc1cccc(NC(=O)[C@H]2CC(O)=Nc3nc4ccccc4n32)c1 44891558 QQFKSFNQBQFCFS-OAHLLOKOSA-N 352.419 3.930 0 40 FHAB Cc1noc(CN2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)n1 58363168 BXYFZNMMCKOFDL-UHFFFAOYSA-N 366.396 3.722 0 40 FHAB COc1ccc(C(=O)NC[C@H](C)c2nc3ccccc3n2C(F)F)cc1 10639000 YZEMNSLFODYDCT-LBPRGKRZSA-N 359.376 3.974 0 40 FHAB Cc1ccc2c(COC(=O)CCc3ccc4c(c3)OCO4)cc(=O)oc2c1 10740745 SZBVCJIFWNZFCB-UHFFFAOYSA-N 366.369 3.506 0 40 FHAB C[C@@H](NC(=O)CSCc1nc(-c2cccs2)no1)c1ccccc1 36390880 MELMCOLJFXKARS-GFCCVEGCSA-N 359.476 3.909 0 40 FHAB COc1cc(C(=O)Nc2ccc3c(c2)C(=O)NC3)ccc1OC1CCCC1 58748997 FTXQDECZQGKNPU-UHFFFAOYSA-N 366.417 3.512 0 40 FHAB CCO[P@@](=O)(c1ccccc1Cl)[C@H](O)C(Cl)(Cl)Cl 2358395 IVPIKQOPYDQLAQ-YYSFKGJASA-N 351.981 3.969 0 40 FHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1cc(Cl)ccc1F 45756352 QDQUJMPQCTVUOW-LLVKDONJSA-N 361.804 3.655 0 40 FHAB O=C(Nn1cnc2scc(-c3cccs3)c2c1=O)[C@H]1CC=CCC1 12815304 VAXGVUHDBYWMFH-NSHDSACASA-N 357.460 3.613 0 40 FHAB C[C@H]1C[C@H]1c1ccc(CN(C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)o1 12805532 SPPSQHPLELOSTR-XHDPSFHLSA-N 357.841 3.925 0 40 FHAB CCc1nc2ccccc2n1CC(=O)Nc1nc(-c2ccc[nH]2)cs1 29352351 GMHHRHDNMSLKRZ-UHFFFAOYSA-N 351.435 3.689 0 40 FHAB N=C1NC(=O)/C(=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)S1 408763037 DJHIJLAMBSQGIL-ZSOIEALJSA-N 358.806 3.698 0 40 FHAB Cc1nc2c(sc3nc(-c4ccccc4)c4c(c32)CCCC4)c(=O)n1N 8664959 QTSKHCDBLLECTD-UHFFFAOYSA-N 362.458 3.574 0 40 FHAB CCCCNC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 3513458 YLYJBMAUHJHWFQ-UHFFFAOYSA-N 373.836 3.644 0 40 FHAB CCCC[C@H](c1nnnn1C(C)(C)C)N1CCN(C2CCCCC2)CC1 20139175 AXRYZIGWIHHBBS-GOSISDBHSA-N 362.566 3.610 0 40 FHAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1Cl 3507416 MHQSFSARZSJPNQ-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB O=C(NC[C@H]1COc2ccccc2O1)c1ccccc1Cc1ccccc1 13005105 VVWLAAJADMKYCH-IBGZPJMESA-N 359.425 3.847 0 40 FHAB COc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1OC 20143233 YDLXYYSWTCFPQZ-UHFFFAOYSA-N 353.374 3.708 0 40 FHAB CCc1cccc2c(C(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)c[nH]c12 6006086 FACZWLJAJAWKCY-UHFFFAOYSA-N 367.449 3.510 0 40 FHAB O=C(Oc1ccccc1Cl)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408674150 YMVWPJRRFWKVSA-NSHDSACASA-N 350.201 3.952 0 40 FHAB CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C 65553721 BVAZTSFWNVIHLB-INIZCTEOSA-N 368.880 3.865 0 40 FHAB C[C@H](OC(=O)c1cccc(-n2cccc2)c1)C(=O)N(C)C1CCCCC1 6485556 HRAQBPBTFQFUED-INIZCTEOSA-N 354.450 3.814 0 40 FHAB CC(C)c1ccc(S(=O)(=O)Nc2cc3c(cc2Cl)OCO3)cc1 14241120 PRNOKMFYFDXIBQ-UHFFFAOYSA-N 353.827 3.993 0 40 FHAB Cc1cccc(NC(=O)CSc2n[nH]c(COc3ccccc3F)n2)c1 408582332 MZMZTNYXLRGSPX-UHFFFAOYSA-N 372.425 3.562 0 40 FHAB CSc1nsc(SCC(=O)Nc2nc3ccc(C)cc3s2)n1 8914314 RRCJVHPNQVENEU-UHFFFAOYSA-N 368.534 3.909 0 40 FHAB aggregator COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1 5675640 KVGMPGYZKACLNA-UHFFFAOYSA-N 362.234 3.811 0 40 FHAB COc1ccc([C@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)C2CC2)cc1 4816482 INYMLPOUUCUINX-WOJBJXKFSA-N 374.444 3.764 0 40 FHAB COc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)n3ncnc3N2C(C)=O)cc1 4816556 MEBILJNXTXZQFS-VQTJNVASSA-N 362.433 3.682 0 40 FHAB CCOC(=O)c1cc(CC)sc1NC(=O)/C=C/c1csc(C)n1 24951664 GKMNGSJCOATTJG-VOTSOKGWSA-N 350.465 3.904 0 40 FHAB Clc1ccc2nc(CSc3nnc(CN4CCCCC4)o3)cn2c1 7119082 HKYOMVQHUDBVTJ-UHFFFAOYSA-N 363.874 3.649 0 40 FHAB Cc1csc(SCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)n1 7196068 VOBRKNYPYFGOMP-UHFFFAOYSA-N 358.492 3.985 0 40 FHAB CCOc1ccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1OC 7831613 LOEPPJKIMPIDKS-UHFFFAOYSA-N 365.433 3.552 0 40 FHAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)C1=Cc2ccccc2OC1 8130166 FFDQDPPVGCFZRA-UHFFFAOYSA-N 353.418 3.528 0 40 FHAB O=C(CNC(=O)c1ccccc1F)Nc1ccc(Oc2ccccc2)cc1 8288975 NCTIYSJOXPADQN-UHFFFAOYSA-N 364.376 3.987 0 40 FHAB CCn1nnnc1Sc1ncnc2scc(-c3ccc(C)cc3)c12 9364275 WNJWRYGVQJPXES-UHFFFAOYSA-N 354.464 3.824 0 40 FHAB O=C(Nc1ccc(-n2ccnc2)nc1)c1cc(-c2cccc(Cl)c2)on1 84368062 UXCADEWUSUOWOV-UHFFFAOYSA-N 365.780 3.828 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cnc(C(C)(C)C)nc1 84718290 DCEOSUINLNKMED-SFHVURJKSA-N 364.449 3.677 0 40 FHAB CC(C)C(=O)Nc1cc(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)ccn1 551844040 UGEFMCAHJXZJAB-GNISGLHKSA-N 363.461 3.994 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC[C@@H]2C2CCCCC2)c1 75358641 ZXQDMCKJNVRGKZ-OXJNMPFZSA-N 374.525 3.926 0 40 FHAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc2c(c1)CCC2)CC3 25452873 SYZHKLWNNVSZKW-UHFFFAOYSA-N 374.440 3.642 0 40 FHAB COc1ccc(C(=O)O)cc1NC(=O)COc1cc(C)ccc1C(C)C 20144105 FPFGLXGUINELDR-UHFFFAOYSA-N 357.406 3.843 0 40 FHAB Cc1ccccc1-n1c(=O)c2sccc2n(Cc2ccc(F)cc2)c1=O 67258064 ZDOFYEZGSLSTBJ-UHFFFAOYSA-N 366.417 3.710 0 40 FHAB O=C(NCc1ccnc(OCc2ccccc2)c1)c1cc(F)cc(F)c1 32930410 XFLSPNYIFWACGU-UHFFFAOYSA-N 354.356 3.869 0 40 FHAB COc1cc(NC(=S)Nc2cccc(F)c2C)cc(OC)c1OC 71760526 AZBBDAHCVOINJN-UHFFFAOYSA-N 350.415 3.969 0 40 FHAB CCOc1cc(/C=C(\Sc2nnc(C)o2)C(=O)O)cc(Cl)c1OC 211535110 CAZMLQBKRKNUFM-GHXNOFRVSA-N 370.814 3.657 0 40 FHAB Cc1cccc(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)c1C 32911950 JYDBBKCRGREQEN-UHFFFAOYSA-N 351.372 3.949 0 40 FHAB C[C@H]1C[C@H](OC[C@H](O)CN2C(C)(C)CC(O)CC2(C)C)CC(C)(C)C1 35031468 DBIRBMRBTJPLEL-JQHSSLGASA-N 355.563 3.593 0 40 FHAB COc1ccc(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2)cc1F 30333679 ZSWFOWIGPBXGAI-QGZVFWFLSA-N 351.443 3.900 0 40 FHAB Cc1c(F)cccc1N1Cc2cc(Br)ccc2OCC1=O 75165458 WKJHVLXTJANBTJ-UHFFFAOYSA-N 350.187 3.822 0 40 FHAB CCc1ccc(N([C@@H](C)C(=O)Nc2cc(C)ccc2C)S(C)(=O)=O)cc1 220261056 HROPRLFFNRSGKL-INIZCTEOSA-N 374.506 3.659 0 40 FHAB CC(C)CNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCC2)n1 225891145 WBCOTQSMHXKRBR-UHFFFAOYSA-N 371.510 3.812 0 40 FHAB Cc1ccc(C)c(NC(=S)N2CCN(C3Cc4ccccc4C3)CC2)c1 225209919 MKCSBMJGPOHPBC-UHFFFAOYSA-N 365.546 3.785 0 40 FHAB Cc1nccn1-c1ccccc1CNC(=O)COc1ccc(C(C)C)cc1 44883065 UNYKEYDMAPYBHF-UHFFFAOYSA-N 363.461 3.999 0 40 FHAB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1 223884096 IVYRRSBYEOYPGT-RBUKOAKNSA-N 363.490 3.653 0 40 FHAB CCOc1ccc(NC(=O)N(CC)Cc2cc(=O)[nH]c3ccccc23)cc1 41076978 PJWOJLCJYKWIKA-UHFFFAOYSA-N 365.433 3.981 0 40 FHAB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 226629228 YBZPUNZGOXWAAB-HXQJMZMJSA-N 367.754 3.916 0 40 FHAB COC(=O)c1cccc(NC(=S)N[C@@H](C)COc2ccc(C)cc2)c1C 225641527 BRHJKIYWRPFHQI-AWEZNQCLSA-N 372.490 3.844 0 40 FHAB COc1ccc(C(=O)NCc2ccccc2-n2ccnc2C)cc1Cl 223717435 KJVZDJOLPSTRHR-UHFFFAOYSA-N 355.825 3.773 0 40 FHAB COc1ccccc1CNC(=O)c1ccc(OC)c(COCC(C)C)c1 224453804 RTFQSLKZNRKFKX-UHFFFAOYSA-N 357.450 3.806 0 40 FHAB CCCCOc1ccc(C(=O)NCc2nccc(N3CCCCC3)n2)cc1 224160365 OKBKZTDDMLJMBO-UHFFFAOYSA-N 368.481 3.576 0 40 FHAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 223877279 SKSWOQDDUTZLOS-RTBURBONSA-N 364.474 3.786 0 40 FHAB O=C([C@H]1CCC(F)(F)C1)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 330138866 IMOUKRURCMKMKN-GJZGRUSLSA-N 360.408 3.613 0 40 FHAB Nc1nc(CN2CCC[C@@H]2c2ccccc2)nc(Nc2ccc(F)cc2)n1 97011905 RYQYKUARDMXPKV-QGZVFWFLSA-N 364.428 3.674 0 40 FHAB O=C(c1ccn(-c2ccc3ccc(-c4ccccc4)cn23)n1)N1CCCCO1 96038079 DLMQSFABPUNSGG-UHFFFAOYSA-N 372.428 3.960 0 40 FHAB CC(C)[C@H](NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C21CC1)c1ccc2c(c1)OCCO2 248246225 QKFWZDWPAMAVGJ-VIPLHTEESA-N 353.462 3.873 0 40 FHAB C[C@H]1CN(c2ccccc2F)CCN1C(=O)c1c(Cl)cncc1Cl 585085747 MIOAHBGMSMRLLO-NSHDSACASA-N 368.239 3.878 0 40 FHAB CO[C@H]1CCCOC12CCN(C(=O)c1cccc(C(F)(F)F)c1)CC2 257261443 LHIJXYQFXOJIAD-HNNXBMFYSA-N 357.372 3.506 0 40 FHAB COc1cccc([C@H]2C[C@@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)c1OC 257338627 YYGGHKYEZMEGDX-UFXVLNHOSA-N 361.482 3.865 0 40 FHAB C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)Nc1ccc(F)c(S(C)(=O)=O)c1 1218042430 UFXUVUBIAGZSJA-BXUZGUMPSA-N 356.463 3.566 0 40 FHAB Cc1cc(N2CCN(Cc3cccc(-c4cccs4)n3)CC2)nc(C)n1 1238218802 JDJVEQBYCWZEOT-UHFFFAOYSA-N 365.506 3.539 0 40 FHAB CCCCC[C@H](O)CC[C@H]1[C@H](CCCCCCC(=O)O)C(=O)C[C@H]1O 34008396 DPOINJQWXDTOSF-LSTDLKDCSA-N 356.503 3.699 0 40 FHAB biogenic C[C@@H](NC(=O)N1CCC[C@@H]1Cn1cncn1)c1ccc(Cl)c(Cl)c1 602296565 HCZMWTMTWOYYSD-DGCLKSJQSA-N 368.268 3.520 0 40 FHAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@@H](Oc2ccccc2)C1 603508625 SWDZFQXFTMFMSV-CQSZACIVSA-N 369.845 3.711 0 40 FHAB Cc1cccc(-c2cccc(C(=O)N3CCC[C@H](C(=O)N(C)C)C3)c2)c1 1178691204 UVXOITRTKPWILV-FQEVSTJZSA-N 350.462 3.602 0 40 FHAB CCn1cc(CN2CCC[C@]3(CCC(=O)N3CC3CCCCC3)CC2)cn1 585100679 SMLMDBYWRHUNIP-QFIPXVFZSA-N 372.557 3.830 0 40 FHAB O=C(CCN1CCO[C@@H](c2ccc(Cl)cc2)C1)N1CCc2ccccc21 52275967 MKPOBSUSPDWKBV-HXUWFJFHSA-N 370.880 3.693 0 40 FHAB O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCC[C@H]1c1ncc[nH]1 95464525 UWRJAGRQRSNDHR-IBGZPJMESA-N 357.417 3.726 0 40 FHAB COc1cccc(CC(=O)N2CCC(c3ccc4cccnc4n3)CC2)c1 655265190 JTZFEZVFTXGDOU-UHFFFAOYSA-N 361.445 3.587 0 40 FHAB O=C(O)[C@@H]1[C@H](c2ccccc2)[C@H]2C(=O)CCCC[C@@H]2N1Cc1ccccc1 1547139793 PHRDQWTYDOYLKH-PDGJWGCVSA-N 363.457 3.867 0 40 FHAB CNC(=O)c1ccc2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2c1 5042473 CWRYNBZTFUAGQZ-UHFFFAOYSA-N 369.490 3.811 0 40 FHAB CCc1cccc(CC)c1NC(=O)CCc1nc(-c2ccncc2)no1 11470163 VOHIVWYUHPMDSU-UHFFFAOYSA-N 350.422 3.828 0 40 FHAB Cn1cc(Cl)c(C(=O)N2CCC[C@H](c3cc4ccccc4cn3)C2)n1 12188168 WTZFABWVLBZVOE-HNNXBMFYSA-N 354.841 3.642 0 40 FHAB CC[C@H](NC(=O)Cn1c(=O)oc2cc(Cl)ccc21)c1ccc(F)cc1 12199941 LRXOYPVPOJTRMM-AWEZNQCLSA-N 362.788 3.655 0 40 FHAB CC[C@H](CN1CCCC1)NC(=O)Cc1csc(Nc2cccc(C)c2)n1 12239737 FCBSPUKWGRJTFZ-MRXNPFEDSA-N 372.538 3.728 0 40 FHAB COc1ccc([C@@H](CNC(=O)Nc2cccc(OC)c2)N2CCCC2)cc1 13048859 SYHYSLUUHAGHAC-HXUWFJFHSA-N 369.465 3.662 0 40 FHAB Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)/C=C/c2ccco2)c1 14404629 DPPCCTKPGFYULS-CMDGGOBGSA-N 350.378 3.524 0 40 FHAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)C(C)C)ccc2C)c1 17056195 XRCMDOCKLVXUEN-MRXNPFEDSA-N 374.506 3.879 0 40 FHAB C[C@H]1C[C@@H]1C(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1 19495892 MREHILJAZLOOGJ-KSSFIOAISA-N 364.424 3.523 0 40 FHAB Cc1nc([C@H]2CCCCN2C2CCCC2)nc2c1CCC(=O)N2CC1CC1 19740923 NYUAXFRXGAZFID-LJQANCHMSA-N 368.525 3.944 0 40 FHAB O=S(=O)(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccccc1 152681087 JUCZFOZFBZOCHI-UHFFFAOYSA-N 351.840 3.659 0 40 FHAB CCCCCC(=O)CC[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)O 5820097 VSRXYLYXIXYEST-FNNKVKJLSA-N 352.471 3.683 0 40 FHAB CCCCCOc1ccc(NC(=O)C(=O)NCCc2ccccc2)cc1 6998449 IIWDDVQXSUYCGX-UHFFFAOYSA-N 354.450 3.553 0 40 FHAB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1occc1C 6325004 WQRMVRPXMNYEMR-VXLYETTFSA-N 374.238 3.895 0 40 FHAB COC(=O)c1cn(C(=O)c2ccccc2Br)c2ccccc12 222573089 STALVLOPBMKLRW-UHFFFAOYSA-N 358.191 3.879 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CC(N2C[C@H]3CCC[C@@H]3C2)C1 1888869445 OYWFXMSQARHOAA-CHWSQXEVSA-N 353.388 3.653 0 40 FHAB CC(C)(C)c1cn2nc(C(=O)Nc3ccc(OC(F)F)cc3)ccc2n1 1888913587 RITAUXTZYCRYFU-UHFFFAOYSA-N 360.364 3.881 0 40 FHAB Cc1nc(CN2CCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)cs1 22815164 RJIVCEBZOHNCAR-UHFFFAOYSA-N 372.469 3.563 0 40 FHAB C[C@H]1Oc2ccc(C(=O)Nc3ccc(C4(C(=O)O)CC4)cc3)cc2[C@H]1C 1776669578 MLGWLNBKPJYWRM-QWHCGFSZSA-N 351.402 3.940 0 40 FHAB Cc1ccc(CN2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@H]32)o1 2086884449 VDTZZKPXGPVUGV-XJKSGUPXSA-N 351.372 3.713 0 40 FHAB O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN(c2nccs2)CC1 40096702 QYABSIIQQWIQRO-UHFFFAOYSA-N 357.266 3.804 0 40 FHAB Cc1cc(C(=O)NCCOc2ccc(F)cc2)c(C)n1Cc1ccco1 30481292 HPZCZEXERLRZHK-UHFFFAOYSA-N 356.397 3.694 0 40 FHAB CS(=O)(=O)c1ccc(NC(=O)CCCc2ccc(Cl)cc2)cc1 40140617 ZLVXXZHYSWUSFJ-UHFFFAOYSA-N 351.855 3.705 0 40 FHAB O=C(Nc1cccc(F)c1)c1ccc2c(=O)n(-c3ccccc3)cnc2c1 32090565 WBPANMGMXBRNIE-UHFFFAOYSA-N 359.360 3.777 0 40 FHAB CC(C)C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1nnc2ccccn12 20744967 YSTXEYUSGFGZRY-SFHVURJKSA-N 361.449 3.657 0 40 FHAB Clc1ccc([C@H]2CN(Cc3noc(-c4ccccc4)n3)CCO2)cc1 52248223 CSIJIKDSZZOPJX-QGZVFWFLSA-N 355.825 3.964 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3O)o2)cc1 873554 QXIDGJUXBKXZLU-LBPRGKRZSA-N 355.419 3.870 0 40 FHAB CC[C@H](C)c1ccc(S(=O)(=O)N[C@@H](CC(=O)O)c2ccccc2)cc1 940639 SHUXNVFVAPHKMG-KSSFIOAISA-N 361.463 3.694 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc(O)cc3)o2)cc1 1224355 WKPNXWPNSITKFL-LBPRGKRZSA-N 355.419 3.870 0 40 FHAB COc1ccc([C@H]2CCCCC[C@@H]2SCC(=O)O)c(OC)c1OC 1751509 ATSFFHQJSIKTHL-DOMZBBRYSA-N 354.468 3.947 0 40 FHAB Cc1nn(C)c(C)c1CCC(=O)O[C@@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 32862211 FEPULCWQPTYLKM-BZSISCHUSA-N 372.509 3.687 0 40 FHAB COc1ccc2oc(C(=O)OCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c(C)c2c1 4319213 BEFBYNRDFVVVTI-GDZNZVCISA-N 373.449 3.848 0 40 FHAB CCCCc1ccc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 6323656 KBPSSTSKGMIMRO-MRXNPFEDSA-N 374.506 3.822 0 40 FHAB Cc1cccc(OCC(=O)NCc2ccc(CN3CCCCC3)cc2)c1C 10456489 DQOLIXIXBYRYGU-UHFFFAOYSA-N 366.505 3.985 0 40 FHAB COc1cc(CNCCCN(C)C)cc(Cl)c1OCc1ccccc1 8373832 AHIVDJKFMMAUNV-UHFFFAOYSA-N 362.901 3.969 0 40 FHAB CCc1cccc(CC)c1NC(=O)c1cccc(NC(=O)CCC(=O)O)c1 8434631 OGHGJTXTBPWXNA-UHFFFAOYSA-N 368.433 3.867 0 40 FHAB Cc1occc1-c1nnc(SCc2nc3sc(C)c(C)c3c(=O)[nH]2)o1 8709376 TVSMVWSLRXGOKF-UHFFFAOYSA-N 374.447 3.845 0 40 FHAB CN1CCN(Cc2cccc(C(=O)c3cc(Cl)ccc3Cl)c2)CC1 22028069 XCABMQVTJSYECL-UHFFFAOYSA-N 363.288 3.972 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 640465 SEQNQOIKZOJTKS-UHFFFAOYSA-N 356.234 3.979 0 40 FHAB Cc1ccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1-n1cnnn1 58894617 MJTKIEQQXHHKFV-GFCCVEGCSA-N 356.817 3.507 0 40 FHAB O=C(Nc1nncs1)N[C@H](COc1ccccc1F)c1ccccc1 47135714 DVMTYIQJQPVJHX-CQSZACIVSA-N 358.398 3.619 0 40 FHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 108891570 AMDORTJEUIHAAZ-SOUVJXGZSA-N 367.415 3.575 0 40 FHAB Cc1ccc2c(c1)nc1s/c(=C\c3ccccc3Br)c(=O)n12 9187952 HLCAQRPBKXPOCT-DHDCSXOGSA-N 371.259 3.528 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1cccc(-c2nc(C)cc(=O)[nH]2)c1 47317905 CHAYZWONTOCZGT-UHFFFAOYSA-N 369.808 3.660 0 40 FHAB COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(C)nc2)cc1 23400462 AOWXZVARSYVXNR-UHFFFAOYSA-N 361.401 3.903 0 40 FHAB Oc1ccc(-c2n[nH]c(=S)n2-c2ccc(OC(F)(F)F)cc2)c(O)c1 20745375 LRSDNAKKCLKEFH-UHFFFAOYSA-N 369.324 3.907 0 40 FHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 24597264 XJSPYOGDFPYAQZ-MSOLQXFVSA-N 354.425 3.643 0 40 FHAB Cc1cccn2cc(COc3ccccc3C(=O)NCc3ccco3)nc12 12544605 OCUJPAZNXLTNBO-UHFFFAOYSA-N 361.401 3.745 0 40 FHAB O=C(Cn1c(-c2cscn2)nc2ccccc21)N[C@H]1CCc2ccccc21 12525353 BRINXSSXELSQTP-INIZCTEOSA-N 374.469 3.964 0 40 FHAB O=C1C[C@H](c2ccc(F)cc2)c2c(c(C(=O)O)cn2-c2cccc(F)c2)N1 35325385 YPLQDHRUEOOVLY-OAHLLOKOSA-N 368.339 3.928 0 40 FHAB O=C(Cc1csc(-c2ccccc2)n1)NC[C@@H]1COc2ccccc2C1 8326621 QJHAEWXYBYBJGY-OAHLLOKOSA-N 364.470 3.720 0 40 FHAB Cc1noc([C@@H]2CCCN(C(=O)Nc3ccccc3C(F)(F)F)C2)n1 58193445 DGESEDSNZMDGED-LLVKDONJSA-N 354.332 3.808 0 40 FHAB CC1CCN([C@H](C)CNC(=O)CCCc2nc3ccccc3s2)CC1 58159277 QKYHWZYZOHNFAJ-MRXNPFEDSA-N 359.539 3.856 0 40 FHAB CC(C)c1ccc(-c2nc(C(=O)NCC(=O)N3CCCCC3)cs2)cc1 58486522 FMAUGWOOHWMGFC-UHFFFAOYSA-N 371.506 3.676 0 40 FHAB Cc1cc2oc(C(=O)NC[C@@H](c3cccs3)N(C)C)cc(=O)c2cc1C 28289106 CPSGFOQSHFBQBC-HNNXBMFYSA-N 370.474 3.504 0 40 FHAB Cc1cccc(OCCC(=O)NCc2cn3cc(Cl)ccc3n2)c1C 45341258 DFUAMSJYWLGMPS-UHFFFAOYSA-N 357.841 3.690 0 40 FHAB COc1ccc(-c2cnc(CCC(=O)NCCc3ccccc3)o2)cc1 63887700 GANCXWIEGHABDF-UHFFFAOYSA-N 350.418 3.642 0 40 FHAB COc1ccc(CNC(=O)CCc2ncc(-c3ccccc3F)o2)cc1 11408074 BAJPXIRVQKVGGQ-UHFFFAOYSA-N 354.381 3.738 0 40 FHAB O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc2nnsc2c1 11692741 DIOTWPIBTOKHNZ-UHFFFAOYSA-N 352.444 3.991 0 40 FHAB Clc1ccc(-c2nnn(Cc3nc(-c4cccc(Cl)c4)no3)n2)cc1 12881223 NELMMSUSSDJGAS-UHFFFAOYSA-N 373.203 3.745 0 40 FHAB COc1ccc2cc(CNC(=O)[C@H]3Oc4ccccc4O[C@H]3C)ccc2c1 12845498 BKSDRAAOQZWXKM-QKKBWIMNSA-N 363.413 3.693 0 40 FHAB COc1ccc(-c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)cs2)cc1OC 12844848 VKQKZAFBQJKRLU-UHFFFAOYSA-N 353.403 3.664 0 40 FHAB O=c1ccc2ccc(OCCCOc3ccc4ccc(=O)oc4c3)cc2o1 12921005 GJHNZSGGLAYTPZ-UHFFFAOYSA-N 364.353 3.747 0 40 FHAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)COc2cccc(Cl)c2)C1 12936696 ZGUHAXVBIOODIF-OAHLLOKOSA-N 372.852 3.596 0 40 FHAB C[C@H](NC(=O)COc1ccccc1Cl)c1ccc(-n2ccnc2)cc1 13074345 QKBLKXITFVZRCA-AWEZNQCLSA-N 355.825 3.782 0 40 FHAB COc1ccccc1-c1nc(CC(=O)N2CCc3ccccc32)cs1 13691119 YJCGWPJEQARFOJ-UHFFFAOYSA-N 350.443 3.951 0 40 FHAB Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)Nc1nccs1 8567066 JXIZLAMACYUKEP-JTQLQIEISA-N 355.257 3.928 0 40 FHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)c1ccccc1 13856493 AWPDMOZCEVOGTH-GOSISDBHSA-N 373.408 3.619 0 40 FHAB O=C(CCCCCn1cnc2ccccc2c1=O)Nc1ccc(F)c(F)c1 5271404 WRDMWJBCYLTQQF-UHFFFAOYSA-N 371.387 3.874 0 40 FHAB CC(=O)Nc1nc(C)cc(-n2nc(-c3cccs3)cc2C(F)(F)F)n1 5242890 ZMSKVYPBJQFRGH-UHFFFAOYSA-N 367.356 3.676 0 40 FHAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(N(C)C)c(F)c3)sc2c1 65530562 QPMYSGCPFPJKBA-UHFFFAOYSA-N 372.425 3.712 0 40 FHAB CC(=O)[C@H](Cc1ccccc1)NC(=O)COc1cc(Cl)ccc1Cl 8711915 SQNHFUSJHVZUQQ-INIZCTEOSA-N 366.244 3.689 0 40 FHAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cccs1 6779545 ZAWGDKOWOGTGTM-KRWDZBQOSA-N 350.443 3.728 0 40 FHAB O=C(COc1ccc(F)cc1Cl)Nc1ccc(N2CCCC2=O)cc1 6986980 CACSHUGFVSTHNS-UHFFFAOYSA-N 362.788 3.623 0 40 FHAB CC(=O)Cc1nsc(NC(=O)c2ccc(-c3ccc(Cl)cc3)n2C)n1 67299865 IHBYGIRYDBRENF-UHFFFAOYSA-N 374.853 3.581 0 40 FHAB COc1cc(NS(=O)(=O)c2ccc(C)cc2C)c(OC)cc1Cl 7387458 DYPDAOHGVYZRHQ-UHFFFAOYSA-N 355.843 3.775 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2ccc(OC)c(Cl)c2)c1C 7389786 HXUULRJJQZAGMV-LLVKDONJSA-N 364.829 3.763 0 40 FHAB Cc1nnc(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)n1C1CC1 7618034 YIGODMLUTQQLHC-QGZVFWFLSA-N 356.495 3.767 0 40 FHAB CCOc1ccc2oc(C(=O)OCC(=O)N[C@@H]3CCCC[C@H]3C)c(C)c2c1 7780668 IONALKXYPXWPGN-CXAGYDPISA-N 373.449 3.992 0 40 FHAB O=S(=O)(Nc1ccc(F)c(F)c1F)c1ccc(Br)cc1 16129194 BQGUQIXXLGAPMH-UHFFFAOYSA-N 366.158 3.667 0 40 FHAB CCn1ccnc1CS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 72312673 KIGANEKGQWNBBU-UHFFFAOYSA-N 352.765 3.549 0 40 FHAB Cc1nn(C)c2c1[C@@H](c1c(Cl)nc3sccn13)SCC(O)=N2 61718866 MPXBTPDTXXSLBC-JTQLQIEISA-N 353.860 3.515 0 40 FHAB COCc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cc1 72049042 XEHINEZHXHPPKF-OAQYLSRUSA-N 352.478 3.708 0 40 FHAB O=c1cc(CNc2ccc(OC(F)F)c(Cl)c2)nc2ccccn12 25605101 OJVQUVOGULKMGQ-UHFFFAOYSA-N 351.740 3.561 0 40 FHAB O=C(c1ccoc1)N1CCC(N[C@@H](c2ccccc2)c2ccccn2)CC1 95419293 JXIUCWWYELNAGZ-NRFANRHFSA-N 361.445 3.658 0 40 FHAB CC[C@H](C)[C@H](NCc1cc(OC)c(OC)c(OC)c1)C(=O)OC(C)(C)C 95996688 PCRDDAWHLMWWDL-GUYCJALGSA-N 367.486 3.558 0 40 FHAB CC(C)Oc1ccccc1CNC(=O)c1ccc(-c2nnc(S)o2)cc1 95939777 SXSUECYOYMMFDF-UHFFFAOYSA-N 369.446 3.743 0 40 FHAB CCCCN(C)CC1CCN(c2ncnc3c2cnn3C(C)(C)C)CC1 89953518 GYTIPZOWWXRFCG-UHFFFAOYSA-N 358.534 3.530 0 40 FHAB O=C(Nc1nn(Cc2ccccc2)c2nnc(-c3ccoc3)cc12)C1CCC1 306133487 MNAKBCYMYFCTTR-UHFFFAOYSA-N 373.416 3.873 0 40 FHAB Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2ccc3c(c2)OCCO3)cc1 173479033 KXEDIXJTMLVMAZ-NQIIRXRSSA-N 367.445 3.664 0 40 FHAB CSc1nnc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)s1 39989067 GSSYIRCCZNRVCR-VIFPVBQESA-N 357.888 3.936 0 40 FHAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OC(C)C)cc3)C2=O)c1 409235539 BYUBQKCVKUCQCO-XDHOZWIPSA-N 350.418 3.875 0 40 FHAB CC(C)c1oc([C@@H]2CCCN2CC(=O)NC2CC2)nc1-c1ccccc1 532732530 FIUBXOWTSFXRSX-KRWDZBQOSA-N 353.466 3.881 0 40 FHAB Cc1nc2ccc(NC(=O)[C@]3(C)Oc4ccccc4N=C3O)cc2s1 36354922 DOKVPKUKPGRBNR-SFHVURJKSA-N 353.403 3.983 0 40 FHAB O=C(CSc1nnc(-c2ccccc2Cl)[nH]1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 216032589 GIBJOMBVSYFVQQ-JTNHKYCSSA-N 362.886 3.522 0 40 FHAB CC(C)n1ncc2c(C(=O)N3CCn4cccc4[C@@H]3C)cc(C3CC3)nc21 30262921 AYGROXMTHOVWOI-AWEZNQCLSA-N 363.465 3.908 0 40 FHAB c1ccc(Cn2cc(-c3ccnc(N4CCOCC4)n3)c3ccccc32)cc1 36359146 PQLSCTNEXQSZNN-UHFFFAOYSA-N 370.456 3.983 0 40 FHAB Cn1cc(CN2CCC[C@H]2c2cccc(Cc3cccc(F)c3)n2)cn1 72358127 PGTGUYPLEWASDS-NRFANRHFSA-N 350.441 3.882 0 40 FHAB Cn1cc(/C=C/C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cn1 48237870 QQGRWVZNORHMSR-SHCNBLLESA-N 355.488 3.731 0 40 FHAB O=C(O)[C@@H]1CC(=O)N(c2cccc(-c3nc4cc(Cl)ccc4o3)c2)C1 45887088 UUURJPPZUVYYTF-LLVKDONJSA-N 356.765 3.586 0 40 FHAB CCC1(CC)C[C@H](NS(=O)(=O)c2c(C)noc2C)c2ccccc2O1 224716831 CQCXNSURJQMVGM-HNNXBMFYSA-N 364.467 3.652 0 40 FHAB CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)cc1 224857855 ZRHOXUHJDUDPCV-UHFFFAOYSA-N 355.843 3.572 0 40 FHAB CCN(c1ccc(C(=O)NCCC(C)C)cc1)S(=O)(=O)c1ccccc1 224360946 MWGOBQBYOVTVHN-UHFFFAOYSA-N 374.506 3.678 0 40 FHAB CCCCCn1ccc2nc3nc(C)nn3c(-c3ccc(F)cc3)c2c1=O 40398537 JPRIMZUKSYVXSE-UHFFFAOYSA-N 365.412 3.744 0 40 FHAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1cccnc1 222777636 SRAYDZHPWKHRMT-MOPGFXCFSA-N 363.490 3.568 0 40 FHAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 224881749 SQGBPNAFJGEEIX-NSHDSACASA-N 355.312 4.000 0 40 FHAB CCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 223975862 RIZWTIHYDBTOCX-UHFFFAOYSA-N 366.870 3.671 0 40 FHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 222605868 MXDKVYYSIBOYBE-FQEVSTJZSA-N 370.468 3.700 0 40 FHAB O=C(Nc1ccccc1C(F)(F)F)N1CCC(Oc2cccnn2)CC1 96102930 OJAMANWKGQJUHU-UHFFFAOYSA-N 366.343 3.571 0 40 FHAB Cc1cc(C(=O)N2CCC[C@@H](c3ncc(C)s3)C2)c2c(C)noc2n1 257228874 FVQUZIAFSSQZGQ-CYBMUJFWSA-N 356.451 3.624 0 40 FHAB COc1ccccc1-c1cccc(C[C@@]2(C(=O)N3CCCC3)CCNC2)c1 585166826 CZICHAGTZHDXFP-QHCPKHFHSA-N 364.489 3.507 0 40 FHAB CC(C)CCN1CC[C@H]2[C@@H]1CC(=O)N2Cc1ccc(OC(F)F)cc1 585109010 NNTFIOXGDMUDTC-IRXDYDNUSA-N 352.425 3.509 0 40 FHAB CC(=O)Nc1cccc(OC/C=C/N(C(C)=O)c2ccc(C)cc2O)c1 68602686 FNNJTRIYEZDPRF-BJMVGYQFSA-N 354.406 3.605 0 40 FHAB CN(C)C(=O)[C@H](OC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 5464373 YBGXNNZJORBOSP-OAHLLOKOSA-N 352.217 3.980 0 40 FHAB O=C(CSc1nc2ccccc2[nH]1)NCCSCc1ccccc1 5267269 KGFLLQSTMJIDMV-UHFFFAOYSA-N 357.504 3.705 0 40 FHAB CC1(C)Cc2c(sc3nc(NC4CCCCC4)n4ncnc4c23)CO1 5561121 GZJRBXNLVNHAIR-UHFFFAOYSA-N 357.483 3.935 0 40 FHAB Oc1cc(-c2ccccn2)nc(C2CCN(Cc3cccc(F)c3)CC2)n1 13267959 GTYSILCFTPEQHX-UHFFFAOYSA-N 364.424 3.763 0 40 FHAB COc1cc(/C=C(\OC(C)=O)c2ccc3c(c2)OCO3)cc(OC)c1OC 16958094 HKWGPTPTKNBQTE-APSNUPSMSA-N 372.373 3.502 0 40 FHAB Cc1cccc(OCCNC(=O)c2ccc(CN3CCCCC3)cc2)c1 18147554 FAXNPALNPOBFEA-UHFFFAOYSA-N 352.478 3.790 0 40 FHAB Cc1cc(-c2cc(=O)n(Cc3c(F)cccc3F)nc2-c2ccco2)on1 19121146 PQMLKUPYKWNRPY-UHFFFAOYSA-N 369.327 3.793 0 40 FHAB C[C@@H]1CN(c2ncc(-c3cccs3)c(-c3nccs3)n2)C[C@@H](C)O1 19497635 KVUCNFCDEZBDBN-VXGBXAGGSA-N 358.492 3.942 0 40 FHAB CN(C)CCC1CCN(C(=O)Cc2csc(-c3ccccc3)n2)CC1 19665390 XEGRTNHAQFDQTA-UHFFFAOYSA-N 357.523 3.543 0 40 FHAB COC(=O)c1cc(NC(=O)/C=C/c2ccc3c(c2)OCO3)ccc1Cl 8092175 YFJDQLQPDJIFJR-XVNBXDOJSA-N 359.765 3.507 0 40 FHAB CCC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)c(C)s1 35312324 GMXMHTADSSUGPH-UHFFFAOYSA-N 355.463 3.766 0 40 FHAB CC(C)[C@@H](Cn1ccnn1)NC(=O)C1(c2ccc(Cl)cc2)CCCC1 575608206 MHYJLISPVMLKSW-QGZVFWFLSA-N 360.889 3.584 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)COc1cccc(Br)c1 3430245 ILYSUOSAVDMAJB-AWEZNQCLSA-N 362.267 3.965 0 40 FHAB CO[C@]1(COc2ccccc2)CCCN(C(=O)CCc2ccc(F)cc2)C1 2037909318 SBAKLMLQZUESOC-JOCHJYFZSA-N 371.452 3.845 0 40 FHAB COc1c(Cl)cc(C(=O)N2CCN(c3ccccc3)CC2)cc1Cl 7372563 GEEYVSOCVDEXRK-UHFFFAOYSA-N 365.260 3.964 0 40 FHAB CC(C)CS(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 12180542 COSMCHMYHJNLND-UHFFFAOYSA-N 372.490 3.677 0 40 FHAB CC(=O)OC(C)(C)C(=O)N1CCS[C@@H](c2ccccc2Cl)CC1 206998620 GXBQMIKXTHZTEA-OAHLLOKOSA-N 355.887 3.688 0 40 FHAB Fc1cc(F)c2nc(N3CCC[C@@H](COc4cnccn4)C3)sc2c1 2298225464 VPIXYFCTBMDBFC-LLVKDONJSA-N 362.405 3.660 0 40 FHAB CNc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Cl)cc1 12419666 PSCCIXDTUUVERI-UHFFFAOYSA-N 354.840 3.931 0 40 FHAB CCCOc1ccccc1NS(=O)(=O)c1c(Cl)nc2ccccn12 40150897 BJHYCPOUKMYOGG-UHFFFAOYSA-N 365.842 3.577 0 40 FHAB Cc1ccc(C)c(OCCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1 30550202 MJGXOZSKOWBSHU-UHFFFAOYSA-N 363.461 3.917 0 40 FHAB CN(C(=O)NC[C@@H]1COc2ccccc2O1)[C@H]1CCCc2ccccc21 30988425 YVXOURQHEHZUAF-AEFFLSMTSA-N 352.434 3.545 0 40 FHAB O=C(NC[C@@H](O)c1ccccc1)c1cc(-c2ccco2)nc2ccccc12 32094349 AUQMBUUTHUFWFY-HXUWFJFHSA-N 358.397 3.958 0 40 FHAB Cc1ccc(F)cc1S(=O)(=O)N(C)Cc1ccccc1N1CCCC1 32408142 LGMKOOXIFKCEOB-UHFFFAOYSA-N 362.470 3.555 0 40 FHAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)N4CCCC4)cc3)n2)cc1 32579151 WZWXTWAISZKZGI-UHFFFAOYSA-N 363.417 3.713 0 40 FHAB Cn1c(CNc2ccc(Cl)cc2)nnc1SCCN1CCCCC1 906788 FQOZTQPYGDCDIK-UHFFFAOYSA-N 365.934 3.659 0 40 FHAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nc2ccccc2c1=O 915460 FLYVQFBIKDKTCJ-UHFFFAOYSA-N 367.474 3.764 0 40 FHAB O=C(NCc1ccccc1Cl)[C@H]1CCCN1C(=O)Nc1ccccc1 1329960 XFXAMIBLPVSEJE-QGZVFWFLSA-N 357.841 3.653 0 40 FHAB O=C(COc1ccc(Cl)cc1)OCc1cc2c(cc1Cl)OCO2 1677451 BYINWSRXTYPSLP-UHFFFAOYSA-N 355.173 3.844 0 40 FHAB Cc1cccc(C)c1NC(=O)CN(C)CCN1CCCc2ccccc21 79094829 OVOVMERWJOSPGM-UHFFFAOYSA-N 351.494 3.627 0 40 FHAB Cn1nc(-c2cccs2)cc1C(=O)Nc1nc(-c2cccnc2)cs1 79482440 NHKHTGRAXRKZML-UHFFFAOYSA-N 367.459 3.919 0 40 FHAB Cc1ccccc1OCn1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)n1 2729821 HMCKFUSWTOKVOA-UHFFFAOYSA-N 365.477 3.783 0 40 FHAB CC(=O)N(c1ccc(Cl)cc1)[C@@H]1SC(=O)N(c2ccccc2)C1=O 3108458 ROBPUDDWIIZJPY-MRXNPFEDSA-N 360.822 3.919 0 40 FHAB C[C@@H](OC(=O)c1cnc(Cl)c(Cl)c1)C(=O)N[C@@H]1CCCC[C@H]1C 6643243 YXZMCYKWMPWFIF-GIPNMCIBSA-N 359.253 3.629 0 40 FHAB O=C(NCc1ccccn1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 7499649 QGCDFJFNRXDZPV-UHFFFAOYSA-N 373.387 3.640 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 7505065 DJTPXQLRZJOPBG-AWEZNQCLSA-N 362.832 3.595 0 40 FHAB O=C(NCC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCN1C(=O)c1cccs1 7808136 GOPMOORHSYUCLD-HQHQJUQOSA-N 372.534 3.685 0 40 FHAB CC[C@H](Oc1ccccc1OC)C(=O)NCCSCc1ccccc1 8049987 VGWXPJPVFZHHJB-KRWDZBQOSA-N 359.491 3.902 0 40 FHAB O=C(O)COc1ccc(N2C(=O)c3ccccc3NC23CCCCC3)cc1 8703672 NKCACUUNVVQBKV-UHFFFAOYSA-N 366.417 3.883 0 40 FHAB CC(C)Cn1c(SCc2ccn(C)c(=O)c2)nnc1-c1ccccc1F 53124655 RNEQPUVSECNJTK-UHFFFAOYSA-N 372.469 3.731 0 40 FHAB C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccccc1S(C)(=O)=O 47397192 HEGZJABFZWBRTG-GFCCVEGCSA-N 366.870 3.968 0 40 FHAB CCOC(=O)c1cnc2c(-c3cccc4ccccc34)c(CC)nn2c1N 9287609 ZBOSBYFKHWBAJU-UHFFFAOYSA-N 360.417 3.871 0 40 FHAB O=C(NCc1ccccc1Cl)C(=O)Nc1ccccc1C(F)(F)F 9995226 NOFLOYCTXWTAHG-UHFFFAOYSA-N 356.731 3.614 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(C(=O)OC)c1C 20460970 UDDVDGTXGGGYEY-GOSISDBHSA-N 357.406 3.586 0 40 FHAB COc1ccc(-c2nnsc2C(=O)Nc2nnc(C3CCC3)s2)cc1 61718223 JIYONIXYEKDCHQ-UHFFFAOYSA-N 373.463 3.585 0 40 FHAB Cc1cccc(-n2cccc2/C=c2\sc3nc4ccccc4n3c2=O)c1C 107394566 ZTOPRSCQWVJYAH-MOSHPQCFSA-N 371.465 3.864 0 40 FHAB COc1ccccc1[C@@H](C)N(C)CC(=O)NCCc1cccc(Cl)c1 26334187 ZGARDWPORBHKOZ-OAHLLOKOSA-N 360.885 3.700 0 40 FHAB CCOc1ccc(-c2cc(C(=O)Nc3cccc4nsnc34)no2)cc1 35672759 MDIKKNRLSFYCMU-UHFFFAOYSA-N 366.402 3.997 0 40 FHAB O=c1[nH]c(N2CCc3ccccc32)nc2nccc(-c3ccc(F)cc3)c12 22606816 RGBCYNYVXCSBRO-UHFFFAOYSA-N 358.376 3.818 0 40 FHAB COc1ccccc1[C@@H](C)NCc1nc2ccc(Cl)cc2n1CCO 57838568 SOVRIRFPZUDHGT-CYBMUJFWSA-N 359.857 3.541 0 40 FHAB CCC[C@@H](NC(=O)Cn1cnc2sc(CC)cc2c1=O)c1ccccc1 57954356 LURONFJQUCPFEQ-QGZVFWFLSA-N 369.490 3.678 0 40 FHAB Cc1cc(C)cc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c1 3263655 CRAZCXNPLZFBLN-UHFFFAOYSA-N 353.205 3.801 0 40 FHAB CN(Cc1ccccc1)C(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1 3238427 AGEPOKNWAPPYLS-UHFFFAOYSA-N 373.836 3.505 0 40 FHAB COc1ccc(-c2nonc2NC(=O)COc2cccc(C)c2C)cc1C 27740823 RURDHRIRLXXFKM-UHFFFAOYSA-N 367.405 3.688 0 40 FHAB C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(Cl)c1Cl 72271400 TVGNIJCVQZWVOM-UHIISALHSA-N 355.265 3.969 0 40 FHAB O[C@H](COCc1ccc(Cl)cc1)CSc1nnc(-c2ccco2)o1 58316437 JWAVLSQMFKIYKP-CYBMUJFWSA-N 366.826 3.653 0 40 FHAB COc1ccc(NC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 12654253 FXQSOWFYKNPGOB-UHFFFAOYSA-N 374.853 3.885 0 40 FHAB O=CN1CCN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 10282741 ANRPSPAVXJBCKC-UHFFFAOYSA-N 374.893 3.547 0 40 FHAB O=C(CSc1nncs1)N[C@H]1CCSc2ccc(Cl)cc21 48294110 WJMWPNXNFQKTSZ-JTQLQIEISA-N 357.913 3.637 0 40 FHAB COc1ccc(-c2nnc3sc([C@H]4CCOC(C)(C)C4)nn23)cc1OC 36358673 HMIQEPYQMWVVHM-LBPRGKRZSA-N 374.466 3.543 0 40 FHAB COc1ccccc1[C@@H]1C[C@H](c2ccccc2Cl)Nc2nc(N)nn21 2323372 VGTMWWUFYNXJNJ-CABCVRRESA-N 355.829 3.669 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(O)cc2)N1c1ccccn1 2493250 XMLIYIMHAOWEHJ-LJQANCHMSA-N 370.364 3.643 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(C)[C@@H](C)c1ccccc1 12798839 DOCNOBOXOBDZRI-INIZCTEOSA-N 361.445 3.891 0 40 FHAB CC(C)n1ncc2c(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc(-c3ccco3)nc21 12851100 PSMYRAOWEUXVDL-KBPBESRZSA-N 368.437 3.522 0 40 FHAB COc1ccc([C@H](NC(=O)CCCNC(=O)c2ccsc2)C(C)C)cc1 12878390 IQINEXJMOATXCQ-LJQANCHMSA-N 374.506 3.780 0 40 FHAB Cn1c(SC[C@@H](O)c2ccc(F)c(F)c2)nnc1-c1cccs1 12824946 YLZMXLIXNLULFA-GFCCVEGCSA-N 353.419 3.648 0 40 FHAB C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)C(N)=O 3457173 MIFYJBGUMBISFA-NSHDSACASA-N 358.854 3.554 0 40 FHAB CCNC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@H](C(C)(C)C)C2 3580033 BVURQOLBEFTDTO-AWEZNQCLSA-N 368.477 3.679 0 40 FHAB COc1ccccc1NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C 12978635 YSTDVCZZIPCUBM-LJQANCHMSA-N 356.422 3.985 0 40 FHAB O=C(COC(=O)c1ccccc1Cc1ccccc1)NCc1ccccc1 3621865 OVVHXXLWHVCUGZ-UHFFFAOYSA-N 359.425 3.751 0 40 FHAB CCn1c(SCC(N)=O)nnc1-c1csc(C)c1-c1ccccc1 13878104 ZCXICAILJCLWEX-UHFFFAOYSA-N 358.492 3.579 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 6392831 NXTSCRQWZWFDNR-CQSZACIVSA-N 362.351 3.693 0 40 FHAB O=C(C1CC1)N1CCC[C@H](c2nc3ccc(-c4cccs4)cn3n2)C1 306142279 WVKBJLWFOXYILQ-HNNXBMFYSA-N 352.463 3.574 0 40 FHAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccccc1SC(F)F 14137808 IFVCPWIZHXHYHG-UHFFFAOYSA-N 351.374 3.954 0 40 FHAB CN(c1ccc(OC(=O)c2cccs2)cc1)S(=O)(=O)c1ccccc1 14241394 OPXWFUNJVYEEMA-UHFFFAOYSA-N 373.455 3.792 0 40 FHAB CCC(=O)N1c2ncnn2[C@@H](c2ccccc2OC)C[C@@H]1c1ccccc1 4816890 FOTBVEOODVWDIH-QZTJIDSGSA-N 362.433 3.764 0 40 FHAB COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)Nc1ccc(Cl)cc1 7057960 VRAPTUOXTDQPCG-LLVKDONJSA-N 361.829 3.746 0 40 FHAB O=S1(=O)c2ccccc2N=CN1CCOc1ccc2ccccc2c1 67649967 GLWHICNOJVWLIP-UHFFFAOYSA-N 352.415 3.583 0 40 FHAB COc1ccc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1Cl 7410676 MJJIHLDDHJWYGQ-UHFFFAOYSA-N 363.200 3.595 0 40 FHAB C[C@H](Oc1ccc(F)cc1Br)c1nc2ccccc2c(=O)[nH]1 15952938 GPICJXKLNWVOOS-VIFPVBQESA-N 363.186 3.965 0 40 FHAB O=C(Nc1cccc(-n2cnnn2)c1)c1cccc(Oc2ccccc2)c1 7646241 ZDQJOKYOYOVIJR-UHFFFAOYSA-N 357.373 3.707 0 40 FHAB Cc1ccc2c(C(=O)CN3CCN(C4CCCCC4)CC3)c(C)[nH]c2c1 19372531 YBPKOROBZPUQOJ-UHFFFAOYSA-N 353.510 3.918 0 40 FHAB COc1cc([C@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCC2)ccc1O 71279528 LZEJMOMYZAIXQP-CYBMUJFWSA-N 357.410 3.519 0 40 FHAB COc1ccc(Cl)cc1C[S@](=O)CCC(=O)Nc1ccccc1 71801122 WHSCBCRHSUNNBQ-QHCPKHFHSA-N 351.855 3.626 0 40 FHAB O=C1c2cccc3cccc(c23)N1CN1CCN(c2ccc(F)cc2)CC1 19901773 ZFEUNCVHQQMNSC-UHFFFAOYSA-N 361.420 3.719 0 40 FHAB CCCc1nc([C@H](NC(=O)N2CCC[C@@H](C)CC2)c2ccccc2)no1 97229230 AMTHRYOGDBZZIX-CRAIPNDOSA-N 356.470 3.943 0 40 FHAB CC(=O)c1cccc(COC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)c1 95974522 PFUHZXOCPSAQTB-ROUUACIJSA-N 352.386 3.507 0 40 FHAB CCOC(=O)Nc1cccc(C(=O)NCCCOCc2ccccc2)c1 9952950 PNXIWZLBOIGUDM-UHFFFAOYSA-N 356.422 3.592 0 40 FHAB CCc1cc(NCCc2nc3ccc(F)cc3[nH]2)nc(-c2ccccn2)n1 75094563 BTCCDUOFRFJVMZ-UHFFFAOYSA-N 362.412 3.771 0 40 FHAB Cc1ccc(F)c(C(=O)O[C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)c1N 89626665 WRKNNHGFKCHPJY-ZIAGYGMSSA-N 370.424 3.630 0 40 FHAB CCCCOc1ccc(/C=C/C(=O)N[C@@H](C(=O)O)C(C)C)cc1OCC 62715300 CCFXQCQUBCNCKF-SINXNMPMSA-N 363.454 3.503 0 40 FHAB COc1cccc(CCCNC(=O)Cc2cccc(Br)c2)c1 66434232 UNBNJDLBOWCBJT-UHFFFAOYSA-N 362.267 3.749 0 40 FHAB CC(=O)c1cccc(O[C@H](C)C(=O)NCC(C)(C)c2ccccc2F)c1 60338138 FIMTXQMSTYSPAS-OAHLLOKOSA-N 357.425 3.890 0 40 FHAB CN(c1ccccc1)c1ccccc1C(=O)N[C@@H](CC(N)=O)c1ccccc1 512406986 VKHZPJUOABVRPL-FQEVSTJZSA-N 373.456 3.801 0 40 FHAB CCC[C@H](C(=O)Nc1cncnc1-n1cccn1)c1cccc(Cl)c1 1520190245 UTFWGHUHQZRQSG-HNNXBMFYSA-N 355.829 3.838 0 40 FHAB CCOC(=O)C1CCN(C(=O)[C@@H](CC)Oc2cccc3ccccc23)CC1 30862974 SEIKICXCFSSENS-LJQANCHMSA-N 369.461 3.799 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)c1C 219311673 UWMXGDCKWOBHAC-INIZCTEOSA-N 365.433 3.779 0 40 FHAB Cc1noc(C)c1CCC(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 72389452 LNJANQRUJOAUNJ-GOSISDBHSA-N 352.438 3.854 0 40 FHAB Cc1cccc(NS(=O)(=O)c2cc3c(C)cc(=O)[nH]c3cc2Cl)c1 217434772 PFSJJMHZVNRCNO-UHFFFAOYSA-N 362.838 3.599 0 40 FHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222718902 NBYIAYRWGZLJAC-MAUKXSAKSA-N 355.434 3.801 0 40 FHAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1Cl 224149989 CHJSADZLFYDJRA-ZDUSSCGKSA-N 351.805 3.750 0 40 FHAB Cc1cccc(CSCCNC(=O)CCc2ccc3c(c2)OCO3)c1 222648924 ABIYXXZVWOFSNW-UHFFFAOYSA-N 357.475 3.706 0 40 FHAB COc1ccc(CCC(=O)Nc2cccc(N3CCCC3=O)c2)cc1C 225069320 QMEUCYLNBCGMJF-UHFFFAOYSA-N 352.434 3.702 0 40 FHAB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(Cl)cc2)cc1 224704276 QXDLFUYGAXUMQS-UHFFFAOYSA-N 367.854 3.732 0 40 FHAB COc1cc(C)c(S(=O)(=O)NCCSC2CCCCC2)c(C)c1 222986657 IVALJRQSWQMCPQ-UHFFFAOYSA-N 357.541 3.656 0 40 FHAB CCOc1ccc(CNC(=O)COc2ccc(C)cc2C)cc1OCC 222825657 MHHJQRWJNWBGGY-UHFFFAOYSA-N 357.450 3.796 0 40 FHAB C[C@H]1Cc2ccccc2N1C1CCN(C(=O)c2ccc(N(C)C)cc2)CC1 40135628 QHPUAGXPPFRWGO-KRWDZBQOSA-N 363.505 3.808 0 40 FHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCN(C)c1ccccc1 225827361 BIXKWBJJIHGMCV-KRWDZBQOSA-N 352.478 3.585 0 40 FHAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1 223409243 CSZQNYZUNOBUDK-MOPGFXCFSA-N 364.474 3.591 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 223638850 PULUQBUTZLKVJQ-QGZVFWFLSA-N 370.518 3.641 0 40 FHAB Cc1ccc(I)c(C)c1I 95868081 BTZPKIUVWDVEOK-UHFFFAOYSA-N 357.960 3.513 0 40 FHAB O=C1CCC[C@]2(CN(Cc3ccc4[nH]ccc4c3)C[C@H]2c2ccccc2)N1 257294636 QVADXEZAQFKXCK-NZQKXSOJSA-N 359.473 3.806 0 40 FHAB COc1cccc(CN(CC(=O)O)C2CCN(c3cccc(C)c3)CC2)c1 257249865 JKBAVAGMQKRMAL-UHFFFAOYSA-N 368.477 3.559 0 40 FHAB CN(C)CC(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257274021 NJFHBIPSOMSNFR-KRWDZBQOSA-N 361.873 3.534 0 40 FHAB Cc1nc2ccc(C(=O)N3CCC[C@@H]3c3cccc4c3OCCO4)cc2o1 684273613 LUWXUEPMRQJOCZ-QGZVFWFLSA-N 364.401 3.885 0 40 FHAB CN1CCC[C@@H](N(C)C(=O)c2cccc(-n3nccc3-c3ccccc3)c2)C1 607578841 RIFLTPAOVLMSCA-OAQYLSRUSA-N 374.488 3.706 0 40 FHAB Cc1cc(-c2ccnc(N3CCOCC3)n2)c2c(c1)[C@@H](C)CC(C)(C)N2 584906305 VWZDEIFJZMBWHW-HNNXBMFYSA-N 352.482 3.986 0 40 FHAB Cc1ccc(NC(=O)Cc2noc3ccccc23)c(OC[C@H]2CCCO2)c1 56303406 LADSSNGOLSLCCR-OAHLLOKOSA-N 366.417 3.875 0 40 FHAB CCN(C1CCOCC1)[C@@H]1CCOC2(CCN(c3ccccc3)CC2)C1 1615191219 MISDOURNRMBPQC-OAQYLSRUSA-N 358.526 3.706 0 40 FHAB Cc1ccc(NC(=O)CSc2nc3sc(C)cc3c(=O)n2C)c(C)c1 5017121 RTBTVMYKEJQKNM-UHFFFAOYSA-N 373.503 3.651 0 40 FHAB O=C(O)Cn1nc(C2CC2)c2c(C(F)(F)F)cc(-c3ccco3)nc21 12395256 RVLZIWXLCPBRQH-UHFFFAOYSA-N 351.284 3.672 0 40 FHAB O=C(CCC1CCCC1)N[C@H]1CCCc2nc(N3CCCCC3)ncc21 13265681 CPZBYVJOECWELR-SFHVURJKSA-N 356.514 3.931 0 40 FHAB CCN(Cc1cc2ccccc2nc1O)C(=O)c1cc(OC)cc(OC)c1 13479887 IDOAPXHGQAMUBM-UHFFFAOYSA-N 366.417 3.620 0 40 FHAB Cc1cccc(C(=O)NC2CCN(C(=O)Nc3ccc(F)cc3)CC2)c1 15936137 AQHYQMBWEYJUHJ-UHFFFAOYSA-N 355.413 3.560 0 40 FHAB COc1cccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 16029617 QPQCQCNULIQIBI-NSHDSACASA-N 350.212 3.864 0 40 FHAB COc1ccccc1CNc1ncc(-c2cc(C)no2)c([C@H]2CCCO2)n1 19122715 WNURKJVBLAZIFA-QGZVFWFLSA-N 366.421 3.912 0 40 FHAB O=C(N1C[C@H]2CCCN2c2ncccc21)C1(c2ccc(Cl)cc2)CC1 19346554 MEMZRHOGGGYNDU-MRXNPFEDSA-N 353.853 3.782 0 40 FHAB Cc1ncsc1-c1nnc(C2CCN(C(=O)c3ccccc3)CC2)o1 19563164 UQGPCSBZJFNGBY-UHFFFAOYSA-N 354.435 3.521 0 40 FHAB COCC(=O)N1CCC[C@H](c2ccc(Cc3ccc(Cl)cc3)cn2)C1 19688196 PZCBOALGBYQPHC-KRWDZBQOSA-N 358.869 3.678 0 40 FHAB CCc1ccccc1O[C@@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1 19933366 TULZSWFXJAIVKN-HNNXBMFYSA-N 357.450 3.692 0 40 FHAB O=C(Nc1ccccc1F)N1CCC(n2nnc3cc(F)ccc32)CC1 1380771 REJRBMVARIHPHO-UHFFFAOYSA-N 357.364 3.579 0 40 FHAB CC(=O)c1sc(C2CCN(C(=O)c3cc(C(C)C)n[nH]3)CC2)nc1C 12221469 RWSVUQVIPKGEJD-UHFFFAOYSA-N 360.483 3.520 0 40 FHAB COc1ccccc1N1CCN(CC[C@H]2CCc3ccccc3C2=O)CC1 12356229 PJOARVZMKMVACL-LJQANCHMSA-N 364.489 3.653 0 40 FHAB CCNc1ccc(C(=O)OCC)cc1NC(=O)c1cccc(N(C)C)c1 3194563 GMKOMPGNYPKNRA-UHFFFAOYSA-N 355.438 3.613 0 40 FHAB COc1ccc(Cl)cc1C(=O)NCC(C)(C)N1CCc2ccccc2C1 32369152 GAHZYTJGVVBCOI-UHFFFAOYSA-N 372.896 3.915 0 40 FHAB Cc1cccc(C(=O)Nc2c(C(=O)N3CCCC3)cnn2-c2ccccc2)c1 1426371 USXDYGBYSODZSV-UHFFFAOYSA-N 374.444 3.669 0 40 FHAB Cc1cccc(CSC2=NCCN2C(=O)[C@H](C)Oc2ccccc2)c1 4120227 AFDGACOZXXUNKE-INIZCTEOSA-N 354.475 3.894 0 40 FHAB O=C(Nc1cccc(Cl)c1)c1cccn(Cc2ccc(F)cc2)c1=O 4940359 VTSIXWOIOCWMQP-UHFFFAOYSA-N 356.784 3.941 0 40 FHAB Cc1cccc(C)c1NC(=O)c1cccn(Cc2ccccc2F)c1=O 5270413 BDCXWMGJEVGWRZ-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB CCc1nnc(-c2cc3ccccc3n2CC(=O)OCc2ccccc2)o1 7452144 HBXOUQKZVRMVPX-UHFFFAOYSA-N 361.401 3.997 0 40 FHAB O=C(Nc1ccc(Cl)cc1)Nc1nc(CC(=O)N2CCCC2)cs1 9625678 SCEXGQWZSWKJOQ-UHFFFAOYSA-N 364.858 3.605 0 40 FHAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2)c1cccc(F)c1 13695413 ZCDJOLUAOVWLMQ-UHFFFAOYSA-N 350.349 3.874 0 40 FHAB O=C(C1CC1)N1C[C@@H](c2ccccc2)[C@@]2(CCN(c3ccsc3)C2=O)C1 2055772838 LQMKHBBJLURYQK-GHTZIAJQSA-N 366.486 3.507 0 40 FHAB O=C(Nc1ccc(Cn2cnc(C(=O)O)c2)cc1)c1ccc(Cl)cc1 49421786 AOEZHUWCSVPDFT-UHFFFAOYSA-N 355.781 3.535 0 40 FHAB CC(C)(C)c1n[nH]c(SC[C@@H](O)COc2cccc3ccccc23)n1 40034741 ZTOCDRYBXOBUQP-AWEZNQCLSA-N 357.479 3.787 0 40 FHAB Cc1ccc(OCc2nnc(SCc3nc(-c4ccco4)no3)o2)cc1 31620924 VBRIANUMCHOMJQ-UHFFFAOYSA-N 370.390 3.892 0 40 FHAB Cc1nnc(S[C@@H]2CCc3ccccc3NC2=O)n1-c1ccccc1 20746072 XPCXAJXETNQPGE-QGZVFWFLSA-N 350.447 3.621 0 40 FHAB COc1ccc2c(C)cc(N3CCC(CCN4CCCC4=O)CC3)nc2c1 32576276 ZRTXLCYASZLFGU-UHFFFAOYSA-N 367.493 3.781 0 40 FHAB CC(C)(C)C(=O)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 60065097 BGEFAGYNPGQIHO-OAHLLOKOSA-N 352.434 3.747 0 40 FHAB CN(Cc1nc2ccccc2s1)C(=O)CCCNC(=O)c1ccsc1 32740999 PJMNRXMJEDODEZ-UHFFFAOYSA-N 373.503 3.526 0 40 FHAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(NC(=O)C2CC2)s1 11806425 OLZQHTKUVVIAAF-UHFFFAOYSA-N 370.459 3.867 0 40 FHAB CC(=O)Nc1c(C)cccc1C(=O)O[C@@H](C)C(=O)c1c[nH]c2ccccc12 11812581 XOLIQMXCEPUAPV-ZDUSSCGKSA-N 364.401 3.863 0 40 FHAB CC(=O)N[C@@H](CC(=O)N[C@H](C)c1cccs1)c1ccc(Cl)cc1 32736304 AKEBVBNSAKZYLR-ABAIWWIYSA-N 350.871 3.846 0 40 FHAB Cc1ccc2nc(NC(=O)c3cccc(CN4CCCC4=O)c3)sc2c1 32768119 XRZBOFRBAVLDPE-UHFFFAOYSA-N 365.458 3.979 0 40 FHAB CCCc1nc(CSc2n[nH]c(=O)n2CCc2ccccc2)cs1 32777177 LZGTUBUMXOHXKK-UHFFFAOYSA-N 360.508 3.515 0 40 FHAB O=C(NCc1ccccc1CN1CCCC1=O)c1cccc2ccccc12 32787558 PRZUJZBDHSEHHJ-UHFFFAOYSA-N 358.441 3.892 0 40 FHAB COC(=O)[C@H](NC(=O)c1ccccc1)C(C)(C)SCc1ccccc1 1702340 TZMGLXYKSPKAOD-KRWDZBQOSA-N 357.475 3.670 0 40 FHAB O=C(Nc1cccc(N2CCCCCC2)c1)N[C@H]1c2ccccc2C[C@H]1O 77723770 XCPICHFMRVHHJW-RTWAWAEBSA-N 365.477 3.847 0 40 FHAB CC(C)CCNC(=O)[C@]1(Cc2ccccc2)NC(=O)c2ccccc2S1 41128167 HWOUWPPEHXRNNT-OAQYLSRUSA-N 368.502 3.623 0 40 FHAB Cc1ccc(NC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 4965457 YJEYBDNJVOAFGB-UHFFFAOYSA-N 369.440 3.694 0 40 FHAB CCCc1cc(=O)oc2cc(OCC(=O)c3cc(C)n(C)c3C)ccc12 2627552 PYXKSTHOEIBADH-UHFFFAOYSA-N 353.418 3.963 0 40 FHAB CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(C)cc(C)c1 7402401 KHKSQPDQSAWKNN-UHFFFAOYSA-N 354.450 3.803 0 40 FHAB C[C@H](NC(=O)CN1CCn2cccc2[C@H]1C)c1ccc2c(c1)CCCC2 37117560 XCXQTJIWUKBRJN-DLBZAZTESA-N 351.494 3.621 0 40 FHAB Cc1ccccc1CNC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364605 QFQMWMNNSSBUNV-LJQANCHMSA-N 358.441 3.831 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)NCCSCc1ccccc1C 8478963 LEOHZBLFIKCIFN-INIZCTEOSA-N 359.491 3.821 0 40 FHAB COc1cc(CNC(=O)CCc2ccc(Cl)cc2)cc(OC)c1OC 10760490 BIJGUNGNMKBJAM-UHFFFAOYSA-N 363.841 3.615 0 40 FHAB Cc1ccc(CCC2CCN(C(=O)CNC(=O)C3CCCCC3)CC2)cc1 10964272 MVOFOUHKERPALA-UHFFFAOYSA-N 370.537 3.863 0 40 FHAB CN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 10971783 MDLIPMRYAPFBCF-UHFFFAOYSA-N 358.825 3.974 0 40 FHAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(-c2ccccc2)cc1 103016135 KDYGYMVWNIMWAG-WOJBJXKFSA-N 374.440 3.633 0 40 FHAB O=C(Nc1ccc(Cl)cc1)N1CCN(C2Cc3ccccc3C2)CC1 59916501 AVWJMUMEZRXFOM-UHFFFAOYSA-N 355.869 3.657 0 40 FHAB Fc1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1 23256057 WIATZUXJNLJUKE-UHFFFAOYSA-N 362.832 3.526 0 40 FHAB O=C(NCCOc1ccccc1Cl)c1ccccc1Br 3184311 XRYVMMBFMSMKLZ-UHFFFAOYSA-N 354.631 3.911 0 40 FHAB CCOC(=O)c1cc(NC(=O)CSCc2ccc(Cl)cc2)cn1C 72304393 JEQOCASMSDVEKH-UHFFFAOYSA-N 366.870 3.727 0 40 FHAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(S(C)(=O)=O)cc1 24453964 SLDGDWQPUUUOCO-GFCCVEGCSA-N 351.855 3.577 0 40 FHAB Cc1cc(C)n(-c2ccc(NC(=O)CCCC(=O)c3cccs3)cn2)n1 24713219 GKWKUFJOAOSWHG-UHFFFAOYSA-N 368.462 3.937 0 40 FHAB CON1C(=O)CN(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1Cl 1435559 XSTHMPIKRUNVKV-MRXNPFEDSA-N 365.216 3.538 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)CCc1nc(-c2ccc(F)cc2)no1 58080810 NJPDUKFFJWJUMQ-CYBMUJFWSA-N 351.381 3.786 0 40 FHAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1c(-c2ccccc2)nc2sccn12 12535820 XJCXSBZUZOIPNQ-KGLIPLIRSA-N 367.430 3.668 0 40 FHAB O=C(/C=C/c1nc2ccccc2o1)NCc1ccc(CN2CCCC2)cc1 12695042 BJLUHVRKASAJRL-VAWYXSNFSA-N 361.445 3.753 0 40 FHAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)C1CCN(c2ncccn2)CC1 58182783 SIRQHHYFGSKPNH-QGZVFWFLSA-N 366.509 3.566 0 40 FHAB CC[C@H](C(=O)N1CCC(NC(=O)CC2CCCC2)CC1)c1ccccc1 58208749 JHDZMAVNWFCVNK-FQEVSTJZSA-N 356.510 3.868 0 40 FHAB COc1ccc(CN(Cc2cn3c(C)cccc3n2)C2CC2)c(OC)c1 36391687 DQULDFZUXXCPSX-UHFFFAOYSA-N 351.450 3.825 0 40 FHAB COc1ccc(-n2nnnc2SCc2ccccc2OC(F)F)cc1 11004548 XDGCMORQJKXVHR-UHFFFAOYSA-N 364.377 3.565 0 40 FHAB COc1ccc(Oc2coc3cc(OC(=O)N(C)C)ccc3c2=O)cc1 2422746 ZOWIONXATRHXCB-UHFFFAOYSA-N 355.346 3.654 0 40 FHAB biogenic CCOCCO[C@@H](C)C(=O)Nc1nc2ccccc2n1C1CCCCC1 48375438 VKSQXDFFYVBHSI-HNNXBMFYSA-N 359.470 3.922 0 40 FHAB COc1cccc(CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)c1 8394483 HNMUNCHTUJZFGA-UHFFFAOYSA-N 367.445 3.595 0 40 FHAB CC[C@@H](C)NC(=O)COc1ccc(Br)cc1Br 3515618 CNMXBZKROYNYOH-MRVPVSSYSA-N 365.065 3.505 0 40 FHAB O=C(COc1cccc(Oc2ccccc2)c1)NC(=O)NC1CCCC1 3511329 XAGFABJLWQEGLU-UHFFFAOYSA-N 354.406 3.626 0 40 FHAB CS(=O)(=O)N1CCc2cc(-c3csc(Cc4ccccc4)n3)ccc21 12920193 KHTYFAHHIMLIDJ-UHFFFAOYSA-N 370.499 3.723 0 40 FHAB COc1cc(/C=C/C(=O)N2CCc3sccc3[C@H]2C)cc(OC)c1OC 12921676 KHFNNYTVLVWTOH-URWSZGRFSA-N 373.474 3.933 0 40 FHAB C[C@@H](c1c(F)cccc1F)S(=O)(=O)CC(=O)NC1CCCCCCC1 63873120 GZFIBHWMDSZYIG-ZDUSSCGKSA-N 373.465 3.670 0 40 FHAB C[C@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(F)c(F)c1F 5018861 YBMHHUOUQFPGIK-VIFPVBQESA-N 369.364 3.994 0 40 FHAB COc1cc(CNc2cccc(C)c2)cc(I)c1O 409115719 JXEUPVYEVCAGQM-UHFFFAOYSA-N 369.202 3.926 0 40 FHAB Cc1cc(C)c(NC(=O)COC(=O)[C@@H](C)c2c(C)n[nH]c2C)c(Cl)c1 97164533 WXUBMRGATXSMAY-NSHDSACASA-N 363.845 3.582 0 40 FHAB O=C1N[C@@H](/C=C\c2ccc3c(c2)OCO3)Nc2sc3c(c21)CCCC3 13940408 LNCSAIYNAFILDP-QKIRZYONSA-N 354.431 3.550 0 40 FHAB C[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(-n2ccnc2)cc1 20494741 CEEQCOMXQZGTSL-CQSZACIVSA-N 355.825 3.609 0 40 FHAB Cc1sc2ncnc(Sc3nnc(CN4CCCCC4)o3)c2c1C 14093450 BJZWRIRAXXBAGT-UHFFFAOYSA-N 361.496 3.828 0 40 FHAB CCS(=O)(=O)N1c2ccc(C(=O)Nc3cc(C)ccc3C)cc2C[C@@H]1C 20448967 QTQIBXYCHMTKOP-HNNXBMFYSA-N 372.490 3.656 0 40 FHAB COc1ccc(CNC(=O)[C@@H](C)Oc2ccc3ccc(OC)cc3c2)cc1 5365657 AJQGMIFEGJFBIL-OAHLLOKOSA-N 365.429 3.941 0 40 FHAB Cc1ccc(S[C@H](C)C(=O)NCC(=O)Nc2cccc(C)c2C)cc1 14141560 ZEQCLYHUDPJIQJ-MRXNPFEDSA-N 356.491 3.847 0 40 FHAB O=C(Nc1ccccc1C(=O)OCc1nnsc1Cl)c1ccccc1 14186310 NLYIWPNYNDANJU-UHFFFAOYSA-N 373.821 3.801 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)N[C@@H](c1ccc(F)cc1)C(C)C 14163956 PGHIRUUMIHTWJS-OAQYLSRUSA-N 373.424 3.929 0 40 FHAB CCCCCn1nc(C(=O)Nc2ccc(F)cc2)c2ccccc2c1=O 6653642 RVTYGBBUTDLGLD-UHFFFAOYSA-N 353.397 3.978 0 40 FHAB CCOc1cc(OCC)cc(C(=O)NC(=S)Nc2ccc(F)cc2)c1 4741187 YCLWWCFLIXSAEW-UHFFFAOYSA-N 362.426 3.750 0 40 FHAB COC(=O)c1sccc1NS(=O)(=O)c1c(Cl)cccc1Cl 8778957 WJYOKVCSJRMFKN-UHFFFAOYSA-N 366.247 3.642 0 40 FHAB O=C(CCCOc1ccccc1)Nc1nnc(Cc2ccccc2)s1 4814243 YIKDKRSDIMICEK-UHFFFAOYSA-N 353.447 3.927 0 40 FHAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)CC2=O)cc1 4943357 TXYPORBMDYNYFC-QGZVFWFLSA-N 364.445 3.566 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)Nc2ccc3c(c2)CCC3)o1 7194158 DRQPNUFRXPXTAP-UHFFFAOYSA-N 355.419 3.858 0 40 FHAB Cc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccccc2F)cc1C 15670744 KOXNDTXIEBAROU-CYBMUJFWSA-N 355.369 3.899 0 40 FHAB CC[C@@H](O)c1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C 7548052 MAJMJEKGJLZZFA-LJQANCHMSA-N 351.450 3.921 0 40 FHAB O=C(CCNc1ncnc2cc(-c3ccc(F)cc3)sc12)N1CCCC1 7718083 SMXRRVXJYXIKEI-UHFFFAOYSA-N 370.453 3.922 0 40 FHAB CC[C@@H](OC(=O)c1oc2ccc(F)cc2c1C)C(=O)Nc1cc(C)on1 16122581 PPPDQIKXUYGVRA-CYBMUJFWSA-N 360.341 3.751 0 40 FHAB NC(=O)N[C@H](CC(=O)NC1CCCC1)c1cccc(Oc2ccccc2)c1 8082308 WSEASBGLCRUYBS-LJQANCHMSA-N 367.449 3.637 0 40 FHAB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)NC1CCCCC1 8940960 ASRLOMJPEJRWRJ-UHFFFAOYSA-N 350.875 3.666 0 40 FHAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(F)cc1 21912449 PCVQOIKRLIJJSG-ACJLOTCBSA-N 360.404 3.597 0 40 FHAB O=C(Nc1ccccc1)Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1 409136287 SGKSSDRXIONEGD-UHFFFAOYSA-N 366.402 3.594 0 40 FHAB Cc1ccc(CCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c(C)c1 25801470 KKQGIUNDVCNUOT-UHFFFAOYSA-N 365.882 3.932 0 40 FHAB Cc1cccc(OCC(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)c1 9419359 QGXVRFOKONQHEU-UHFFFAOYSA-N 363.417 3.941 0 40 FHAB O=c1c2ccccc2nc2n1CCCN2CCOc1ccc2ccccc2c1 9482782 NETXFSLLKKIARK-UHFFFAOYSA-N 371.440 3.839 0 40 FHAB O=C(NC1CCCCCC1)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 9483834 YIBYRNBGJAIBGT-QGZVFWFLSA-N 367.493 3.859 0 40 FHAB CCOc1ccc(-c2noc(CCC(=O)Nc3cccc(O)c3F)n2)cc1 95446725 MEPXNONQAXHEEC-UHFFFAOYSA-N 371.368 3.551 0 40 FHAB CC(C)OCc1ccccc1CNS(=O)(=O)c1cccc(Cl)c1 28043625 XODQMOFEGDKUBD-UHFFFAOYSA-N 353.871 3.744 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2cc(C)nn2-c2ccccc2C)c1 95946852 YUOAPDPLWJIOAG-UHFFFAOYSA-N 351.406 3.759 0 40 FHAB COc1ccccc1NC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1 9913735 ZMJDVYUQTKIUCF-UHFFFAOYSA-N 371.396 3.647 0 40 FHAB Cc1oc(-c2cccs2)nc1CN1C(=O)N(C)C2(CCCCC2)C1=O 23615035 NIOLIKIWZOPKPX-UHFFFAOYSA-N 359.451 3.808 0 40 FHAB CCSc1nnc(NC(=O)COc2cc(C)c(Cl)c(C)c2)s1 39998582 IONQJCYXRFMANE-UHFFFAOYSA-N 357.888 3.938 0 40 FHAB C[C@@H]1Oc2ccc(-c3csc(-c4cccc(C(=O)O)c4)n3)cc2NC1=O 524249906 MZRFKJYJLWFTMD-JTQLQIEISA-N 366.398 3.895 0 40 FHAB O=C(O)[C@@H]1CCCN(c2cc(Nc3ccc(C(F)(F)F)cc3)ncn2)C1 217366258 YSLPCROORUFMLC-LLVKDONJSA-N 366.343 3.540 0 40 FHAB Cn1cc([C@H]2SCC(O)=Nc3c2cnn3-c2ccc(Cl)cc2)cn1 79495623 AXMIBDIFTXYPMF-OAHLLOKOSA-N 359.842 3.683 0 40 FHAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2 78404004 MDSBBHMRTUYESP-JTQLQIEISA-N 352.843 3.506 0 40 FHAB CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccccc3F)CC[C@@H]21 72330690 YOKNWZCYBZJTLN-BJLQDIEVSA-N 358.482 3.724 0 40 FHAB Cc1cnc(NC(=S)NCc2ccc(F)cc2)c(Br)c1 223946318 ZPFHIHIUZWAGQB-UHFFFAOYSA-N 354.248 3.778 0 40 FHAB Cc1ccc(NC(=O)CCNC(=O)c2ccc3oc(Cl)nc3c2)cc1 225979265 SGCCTYNQPATZQI-UHFFFAOYSA-N 357.797 3.548 0 40 FHAB Cc1ccc(OC[C@H](C)NC(=O)C2(c3ccccc3)CCOCC2)cc1C 224675888 HMVNOKKFDPKGAB-IBGZPJMESA-N 367.489 3.935 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCOc1cccc(C)c1C 223945721 XQBIEKJDQABYDL-IBGZPJMESA-N 357.450 3.665 0 40 FHAB O=C(Nc1cccc2cccnc12)c1ccnc(O[C@@H]2CCSC2)c1 225722599 NWOLJQSXPGHEGJ-OAHLLOKOSA-N 351.431 3.766 0 40 FHAB COC(=O)c1cn(C(=O)[C@@H](C)Oc2ccccc2OC)c2ccccc12 222626210 DRNQPGKDKWLJPQ-CYBMUJFWSA-N 353.374 3.544 0 40 FHAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccc2c(c1)OCO2 225702998 SWGWDWVWHLKNGF-INIZCTEOSA-N 356.447 3.788 0 40 FHAB COc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1 223702649 JGBPLTUMGILINS-UHFFFAOYSA-N 363.479 3.648 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)Cc1ccc(OC)c(C)c1 224043386 YIVKVZPNNPMVEH-HNNXBMFYSA-N 354.450 3.713 0 40 FHAB O=C(NCc1nccc(N2CCCCC2)n1)Nc1ccc(F)c(Cl)c1 224163902 NOMKJXMIXRVNRK-UHFFFAOYSA-N 363.824 3.581 0 40 FHAB CCOc1cc(CNC(=O)CCc2ccc(OC)c(C)c2)ccc1OC 224601985 BHJHBZVLQPPZDL-UHFFFAOYSA-N 357.450 3.660 0 40 FHAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCCc1ccccc1 222907748 HBGKURKKHVTAQI-KRWDZBQOSA-N 370.468 3.702 0 40 FHAB C[C@H]1CCCN(c2cc(C(=O)N[C@@H]3CCOc4ccccc43)ccn2)C1 332891403 JGJYIBPGDFZWAM-MAUKXSAKSA-N 351.450 3.572 0 40 FHAB CC(C)c1sc(Cl)nc1C(=O)N1CCN(Cc2ccccc2)CC1 95474584 XHNJBOLYSYEZSL-UHFFFAOYSA-N 363.914 3.878 0 40 FHAB Cc1ccc2nc(CO[C@H]3CN(Cc4ccccc4F)C[C@H]3F)[nH]c2c1 96112306 XOIJTMCOMJXNLM-APWZRJJASA-N 357.404 3.750 0 40 FHAB biogenic,in-vitro C[C@@H](NCc1cn(C)nc1-c1cccnc1)c1cc(F)ccc1N(C)C 1663500536 QMCPRHGCGQELOB-CQSZACIVSA-N 353.445 3.538 0 40 FHAB Cc1noc(C)c1C[C@H](C)NC(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C 606305112 PFPKTIIWZHLRLZ-MCPREKNCSA-N 350.503 3.816 0 40 FHAB O[C@H](CNc1ncnc2cnccc12)c1ccc(-c2ccsc2)s1 1775970284 AGWKCKMXSQRYMQ-CQSZACIVSA-N 354.460 3.960 0 40 FHAB O=C(NC1CCC2(CCOCC2)CC1)c1cnc2c(F)ccc(F)c2c1 1324675366 ZQBRQAJGTPIVAO-UHFFFAOYSA-N 360.404 3.982 0 40 FHAB COc1cccc(CN2CC3(C[C@H](OCc4cccc(C)n4)CS3)C2)c1 585105526 YWJHQNYNXFUJPM-FQEVSTJZSA-N 370.518 3.675 0 40 FHAB Cc1nc2ccc(C(=O)Nc3cccc(N4CCCC4=O)c3C)cc2nc1C 55691189 LOMNPJURVQNIOO-UHFFFAOYSA-N 374.444 3.934 0 40 FHAB O=C(NO[C@H]1CCCCO1)c1ccccc1C(=O)c1ccc(Cl)cc1 60332269 IFMBNEBVWIECCX-KRWDZBQOSA-N 359.809 3.759 0 40 FHAB Cc1ncsc1CCOC(=O)Cc1ccc(F)cc1Br 97101986 WRIZACIGMBNQHX-UHFFFAOYSA-N 358.232 3.682 0 40 FHAB COc1ccc(CN(C)[C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)cc1 102930287 UGUQPXYOAXEZGN-NRFANRHFSA-N 374.440 3.612 0 40 FHAB Cc1ccc(N(CCCC(=O)N(C)c2ccccc2)S(C)(=O)=O)cc1C 13649531 NRILWEMJDIOPRR-UHFFFAOYSA-N 374.506 3.513 0 40 FHAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2ccccc2)CC1 13689151 GAXGMIUBURQVLL-GOSISDBHSA-N 360.457 3.956 0 40 FHAB Cc1c(Cl)cccc1NC(=O)Cn1cnc2cc3c(cc21)OCCCO3 14000681 MPSZGZWMIHMRAK-UHFFFAOYSA-N 371.824 3.798 0 40 FHAB Cc1ccc(/C=C/C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c(C)c1 14229808 LLVNSKCKQKPQEK-ZHACJKMWSA-N 362.473 3.738 0 40 FHAB CC(C)C(=O)Nc1ccc(OCc2cc(=O)n3cc(Cl)ccc3n2)cc1 15865550 DHKQSHMBNOLOQX-UHFFFAOYSA-N 371.824 3.521 0 40 FHAB C[C@@H]1CCCCN1C(=O)NCCCCCCNC(=O)N1CCCC[C@H]1C 19075009 FPOWYPUCAFKEGW-QZTJIDSGSA-N 366.550 3.715 0 40 FHAB C[C@@H](NC(=O)CCn1c(C(F)(F)F)cc2cccnc21)c1ccncc1 19459731 AODRKFUIBIQGTB-GFCCVEGCSA-N 362.355 3.718 0 40 FHAB CCOc1cc(/C=C2\SC(=O)N(CC)C2=O)cc(Br)c1O 1007740 OZVIKSJWZUMBJW-XFFZJAGNSA-N 372.240 3.610 0 40 FHAB COc1cc(/C=C\C(=O)O[C@@H]2CCCCO2)ccc1O[C@H]1CCCCO1 4532546 NGMZSNUKQQRJJT-GFMXGFCJSA-N 362.422 3.684 0 40 FHAB C[C@H]1CCc2sc(C(=O)Nc3ccccc3N3CCOCC3)cc2C1 5689745 SLVCUXMZRMWMFO-AWEZNQCLSA-N 356.491 3.962 0 40 FHAB Cc1cc(N2CCC(c3noc4cc(F)ccc34)CC2)n2nccc2n1 1888913389 IYPDKCYYNSREBG-UHFFFAOYSA-N 351.385 3.702 0 40 FHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC1(c2ccsc2)CC1 1888959369 FJSJOFNGCLNJAS-UHFFFAOYSA-N 355.438 3.749 0 40 FHAB FC(F)(F)c1ccnc(N2C[C@H]3CCN(c4nccc5occc45)[C@H]3C2)c1 1889201606 DSIDPINMECFTNC-DOMZBBRYSA-N 374.366 3.957 0 40 FHAB CC1CCN(Cc2csc(NC(=O)c3cc(Cl)ccc3O)n2)CC1 22324833 BTTAZTJUNOEOHH-UHFFFAOYSA-N 365.886 3.986 0 40 FHAB COc1cc(C2=NN(C=O)[C@@H](c3ccc(Cl)cc3)C2)cc(OC)c1OC 78546255 DRKGKWZVICTZNA-MRXNPFEDSA-N 374.824 3.673 0 40 FHAB CC(C)COC(=O)N1CCC([C@H]2CCCCN2Cc2cccnc2)CC1 2056226653 WWGJUUKKJLGEPA-HXUWFJFHSA-N 359.514 3.941 0 40 FHAB O=C(/C=C/c1cccs1)N1CCc2[nH]nc(-c3ccc(F)cc3)c2CC1 1565547142 KZZNNKFPKGIBSR-BQYQJAHWSA-N 367.449 3.918 0 40 FHAB CCc1ccccc1N(C(=O)c1ccc(C)cc1)[C@H]1C=CS(=O)(=O)C1 4165539 FALJUYUGADWZFK-SFHVURJKSA-N 355.459 3.515 0 40 FHAB COc1ccccc1-n1ccnc1SCC(=O)Nc1ccccc1F 4248662 GHTYCETWEDODDH-UHFFFAOYSA-N 357.410 3.751 0 40 FHAB COc1cccc2cc(-c3nnc(NC(=O)c4ccccc4F)o3)oc12 9167211 FXPPYGZUKQYTRE-UHFFFAOYSA-N 353.309 3.883 0 40 FHAB CCc1cccc(NC(=O)CCn2cnc3c([nH]c4ccc(C)cc43)c2=O)c1 23125616 OWHLNQKLDDVKMB-UHFFFAOYSA-N 374.444 3.777 0 40 FHAB O=S(=O)(CCC(F)(F)F)NCCc1ccc(-c2ccsc2)s1 575414110 YDCWHIIDVBETEP-UHFFFAOYSA-N 369.455 3.891 0 40 FHAB CC(=O)N1CCc2ccc(NC(=O)c3ccccc3Br)cc2C1 9034969 PQRPZPTVLHZTNF-UHFFFAOYSA-N 373.250 3.606 0 40 FHAB CC[C@@H](NCc1cnc(N2CCC[C@@H](C)C2)nc1)c1ccc(OC)cc1 19500523 AJVHYBRQVYBPGB-OXQOHEQNSA-N 354.498 3.962 0 40 FHAB CC[C@H](NCc1cnc(N2CCC[C@H](C)C2)nc1)c1ccc(OC)cc1 36744067 AJVHYBRQVYBPGB-JXFKEZNVSA-N 354.498 3.962 0 40 FHAB C[C@H](Cc1ccccc1)NC(=O)CCCC(=O)N[C@H](C)Cc1ccccc1 3093283 KOZXPMZUPKFBGS-RTBURBONSA-N 366.505 3.652 0 40 FHAB CN1CCN(C(=O)c2ccc(Br)s2)[C@@H](c2ccccc2)C1 30029251 YTQMSRKTWWQDHP-CYBMUJFWSA-N 365.296 3.640 0 40 FHAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N(C)Cc1nccn1C(F)F 30009207 QZDGZDHTAKTLOP-UHFFFAOYSA-N 371.453 3.705 0 40 FHAB CN(C)C(=O)N1CCC[C@@H](C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)C1 40134271 ZTKLPCHKPIPRFI-MSOLQXFVSA-N 359.514 3.674 0 40 FHAB Cc1cc(N(C)C)ccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C 40111597 ZWLPAQMFUFFZMM-UHFFFAOYSA-N 363.465 3.781 0 40 FHAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@H]3c2ccc(Cl)cc2)nn1 32088513 GRZYQXABRHBPRK-ZDUSSCGKSA-N 369.812 3.756 0 40 FHAB O=C(NCCCN1CCN(c2ccccc2)CC1)Nc1cccc(Cl)c1 20889939 MHYWENYYYFKYFG-UHFFFAOYSA-N 372.900 3.674 0 40 FHAB COc1cccc(C2=C[C@@H](c3ccc(OC(F)F)cc3)n3ncnc3N2)c1 101514161 DACHULROIOVDDG-KRWDZBQOSA-N 370.359 3.944 0 40 FHAB O=C(OCc1csc(-c2ccccc2)n1)[C@@H]1COc2ccccc2O1 2658360 NDIPZULANHCLRF-KRWDZBQOSA-N 353.399 3.693 0 40 FHAB CN(C)CCN(Cc1ccccc1)C(=O)Nc1nc2ccccc2s1 37170772 KGTZRPNSOWNJBH-UHFFFAOYSA-N 354.479 3.892 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(C)n1C[C@H]1CCCO1 915442 MYRNNOHZFUUWTL-GOEBONIOSA-N 374.510 3.502 0 40 FHAB COCCn1cc(C(=O)N2CCO[C@H](c3ccccc3)C2)c2ccccc21 79486350 KYAZMGDOBYNQAB-NRFANRHFSA-N 364.445 3.501 0 40 FHAB COc1ccc(NC(=O)COC(=O)c2cc3ccccc3o2)cc1Cl 4332513 POOROIWIGASIMD-UHFFFAOYSA-N 359.765 3.890 0 40 FHAB CCCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)O[C@@H]1CCC[C@@H]1C 4426844 JWQQUJWYUWFDMB-CRFBAAHOSA-N 372.465 3.835 0 40 FHAB O=C(OCc1cc2c(cc1Br)OCCO2)c1ccccc1F 6059218 MJKOTCUSYIPKLJ-UHFFFAOYSA-N 367.170 3.716 0 40 FHAB O=c1cc(CN2CCC[C@H]2c2nc3ccccc3s2)nc2sccn12 6610984 VNRPTACTZDKOSG-AWEZNQCLSA-N 368.487 3.703 0 40 FHAB N=C1S/C(=C\c2cc3c(cc2Cl)OCO3)C(=O)[C@H]1c1nccs1 6651590 YXQIPYWAAOZPJI-QCZGZWRVSA-N 364.835 3.943 0 40 FHAB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O 6654542 BNKSBVMHIIINEX-PTNGSMBKSA-N 364.442 3.511 0 40 FHAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC/C2=N\NC(=O)C(=O)O 6779774 CTISYMLRZAHCNS-NPVMHTAUSA-N 360.498 3.976 0 40 FHAB O=C(/C=C/c1c(F)cccc1Cl)Nc1ccc(N2CCOCC2)cc1 6789111 KEVGLTOWAMSOAB-CMDGGOBGSA-N 360.816 3.968 0 40 FHAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N[C@H](C)c1cc2ccccc2o1 21933469 AOWHHXUVAOFMMO-ACJLOTCBSA-N 354.406 3.658 0 40 FHAB C[C@@H](NC(=O)c1ccccc1NS(C)(=O)=O)c1ccc(C(C)(C)C)cc1 10111974 IFZMOEYIPDSWTC-CQSZACIVSA-N 374.506 3.847 0 40 FHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCc1ccc(F)cc1Cl 10242950 UBLQIVNEXWNKCY-UHFFFAOYSA-N 356.802 3.548 0 40 FHAB CCOc1ccc([C@H](C)NC(=O)c2ccc(OC)c(OC)c2)cc1OCC 8294707 NLANDRVPCNMZMI-AWEZNQCLSA-N 373.449 3.992 0 40 FHAB Cc1cccc(N2C(=O)c3ccc(C(=O)N4CCCCCC4)cc3C2=O)c1 8471698 PVWCDLCFBZEPFU-UHFFFAOYSA-N 362.429 3.812 0 40 FHAB CCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 8476883 WHPUCVNBFQLPKZ-UHFFFAOYSA-N 358.804 3.867 0 40 FHAB Cc1cc(C)nc(N2N=C(CSc3nc4ccccc4s3)CC2=O)n1 8558876 YCGWQVWNEKNADV-UHFFFAOYSA-N 369.475 3.588 0 40 FHAB Cc1ccccc1OCc1nn(CC(=O)Nc2ccc(F)cc2)c(=S)o1 8571602 ZBOBHNDBTWZCDQ-UHFFFAOYSA-N 373.409 3.871 0 40 FHAB Cc1nc(-c2ccccc2Cl)sc1C(=O)N[C@H](CO)CC(C)C 12391288 WQIRWZDNDWRFGZ-LBPRGKRZSA-N 352.887 3.909 0 40 FHAB COc1ccc(CNc2ncc(-c3ccccc3)n2C)c(OC)c1OC 819067 NJRDJIKQCGKPTN-UHFFFAOYSA-N 353.422 3.725 0 40 FHAB O=c1cc(CN(Cc2c(F)cccc2Cl)C2CC2)nc2ccccn12 9377403 AQDKYULGGZTHBN-UHFFFAOYSA-N 357.816 3.652 0 40 FHAB COCc1cccc(C(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)c1 23386156 UZBWJIDGCICHOK-GOSISDBHSA-N 355.434 3.828 0 40 FHAB COc1ccc(/C=C2/SC(=O)N(c3ccc(O)cc3)C2=O)cc1OC 1002962 OOWROGNYHOQPMD-MHWRWJLKSA-N 357.387 3.650 0 40 FHAB O=C(Nc1ccc2c(c1)CCC2)c1cccc(CN2C(=O)CSC2=O)c1 29682416 AUGPXCGMVZIBNY-UHFFFAOYSA-N 366.442 3.623 0 40 FHAB CCOC(=O)c1c(C)oc2ccc(OC(=O)COc3ccccc3)cc12 3194122 STNKGPTXABDQLU-UHFFFAOYSA-N 354.358 3.902 0 40 FHAB COc1ccc(CNC(=O)CCc2ncc(-c3ccc(OC)cc3)o2)cc1 109417697 LQWACRNEFHAYMA-UHFFFAOYSA-N 366.417 3.608 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccccc3[nH]2)c1C 12562406 ZBYGGWHJGNIXRJ-UHFFFAOYSA-N 357.435 3.660 0 40 FHAB O=C(N[C@@H](Cc1ncc[nH]1)c1ccccc1)c1cccc(OC(F)F)c1 12547534 COSGYWGHMALCKG-INIZCTEOSA-N 357.360 3.725 0 40 FHAB C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc4[nH]cnc4c3)n2)C1 12539984 PENNCBAGHWVPBI-LBPRGKRZSA-N 355.467 3.504 0 40 FHAB CC[C@]1(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CCC(=O)NC1=O 9341687 QNWYQGIHZUHMMU-HXUWFJFHSA-N 370.836 3.677 0 40 FHAB Cc1cccc(N2C(=O)C[C@@H](Nc3ccc(Br)cc3)C2=O)c1 101079561 JUNQMWDWMZEASG-OAHLLOKOSA-N 359.223 3.502 0 40 FHAB Cc1ccc(CN(C)C(=O)Nc2ccc(N3CCOCC3)cc2C)cc1 44360034 CCTZDUJIQYHPFR-UHFFFAOYSA-N 353.466 3.804 0 40 FHAB Cc1cccnc1NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 12604251 HTYPKRUGCPIPGY-UHFFFAOYSA-N 372.428 3.957 0 40 FHAB Cc1cccc(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)c1 27344170 UMTRXLZWTFIHSX-HXUWFJFHSA-N 372.896 3.981 0 40 FHAB CN(C[C@H]1CCCN(C(=O)c2cccc(F)c2)C1)C(=O)OC(C)(C)C 58182446 NTXWGPLGXPMXHW-CQSZACIVSA-N 350.434 3.545 0 40 FHAB CC(C)Oc1ccccc1CNC(=O)c1ccc(C(F)(F)F)nc1O 58281316 MOIFHENTRDCZEW-UHFFFAOYSA-N 354.328 3.523 0 40 FHAB CCn1c(SCC(=O)c2cc(C)c(C)cc2C)nnc1-c1cnccn1 3364526 TVOVITFKENUFDW-UHFFFAOYSA-N 367.478 3.655 0 40 FHAB COc1ccc(CNc2ncnc3c2[nH]c2ccc(F)cc23)cc1OC 2252474 WUHPBCARLXTXRR-UHFFFAOYSA-N 352.369 3.880 0 40 FHAB COc1ccc(CN2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1F 12790537 XFHGHHCYPMCYRZ-UHFFFAOYSA-N 368.408 3.539 0 40 FHAB COc1ccc(Cc2nn3c(-c4ccc(F)cc4)nnc3s2)cc1OC 2357054 ZPZCAAQZQOJBEI-UHFFFAOYSA-N 370.409 3.600 0 40 FHAB COc1ccc(CCNC(=O)c2csc(-c3ccc(F)cc3)n2)cc1 12819544 NLKJMZDJAJTNDK-UHFFFAOYSA-N 356.422 3.930 0 40 FHAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)NCc1ccc(F)cc1 12860630 VOBJJTJZDQLJCG-UHFFFAOYSA-N 365.408 3.759 0 40 FHAB C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)C(N)=O 3457176 MIFYJBGUMBISFA-LLVKDONJSA-N 358.854 3.554 0 40 FHAB Cc1cc(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)no1 3446732 XIGWTJMANIVZHZ-UHFFFAOYSA-N 362.813 3.630 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc2ccccc2n1 3513753 LTVJDPINATUSAL-UHFFFAOYSA-N 354.793 3.992 0 40 FHAB CSc1ncccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl 3525782 ISWLQTRWKYDNCZ-UHFFFAOYSA-N 371.245 3.906 0 40 FHAB C[C@]1(C(=O)Nc2nc(-c3ccccc3)cs2)Cc2ccccc2C(=O)O1 12985431 WORBXZWOQZFAKZ-HXUWFJFHSA-N 364.426 3.920 0 40 FHAB CC[C@@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(S)nnc23)cc1 13142373 VYKRXNSTDHIOKN-GFCCVEGCSA-N 350.447 3.836 0 40 FHAB CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccccc1OC 13750858 OMZKIBDOBHCZFD-UHFFFAOYSA-N 350.418 3.507 0 40 FHAB CC[C@@]1(c2ccccc2)NC(=O)N(Cc2cc(-c3ccccc3)on2)C1=O 14187128 LVTQLLQPXQDXIB-NRFANRHFSA-N 361.401 3.699 0 40 FHAB Cc1cc(=O)oc2cc(OCC(=O)N3CCc4sccc4[C@@H]3C)ccc12 14202112 SZGBTIOOBOTPOH-ZDUSSCGKSA-N 369.442 3.688 0 40 FHAB O=c1c2cnn(-c3ccccc3)c2ncn1Cc1ccccc1C(F)(F)F 5428426 OLLZPMXHIDGKRD-UHFFFAOYSA-N 370.334 3.649 0 40 FHAB Cc1c(C)c2ccc(OCC(=O)Nc3ccc(F)cc3F)cc2oc1=O 6660476 JXDSVAVBLKAKKJ-UHFFFAOYSA-N 359.328 3.706 0 40 FHAB CCOc1ccc([C@H](C)NC(=O)c2cccc(OC)c2OC)cc1OCC 60387856 SCMUXLHABTWSEV-AWEZNQCLSA-N 373.449 3.992 0 40 FHAB CCOc1ccc2ccccc2c1[C@@H]1NC(N)=Nc2nc3ccccc3n21 7127001 YZRMXILTRJKCRY-LJQANCHMSA-N 357.417 3.685 0 40 FHAB Cc1ccccc1C(=O)N1CCC(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)CC1 8935819 UCEOHTCNFKWNQQ-AZUAARDMSA-N 368.521 3.886 0 40 FHAB CCCC(=O)Nc1ccc2c(c1)C(=O)C[C@@H](c1ccc3c(c1)OCO3)O2 7636258 ABQDZWQSMJGOCE-SFHVURJKSA-N 353.374 3.860 0 40 FHAB CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)[C@H]2CC=CCC2)c1 16145057 CGXGPDVKPXQGPN-INIZCTEOSA-N 364.511 3.629 0 40 FHAB COc1ccccc1NC(=O)COC(=O)c1ccccc1SC(F)F 7864233 PAXPSVNZPJHPTH-UHFFFAOYSA-N 367.373 3.805 0 40 FHAB CCc1ccc(OC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 25126818 BKCGDBVPWMLSLL-UHFFFAOYSA-N 373.399 3.985 0 40 FHAB CC[C@@H](C)Oc1ccc(NC(=O)N2CCC[C@@H](c3nc(C)no3)C2)cc1 69037309 YSLOICODISNDNK-UKRRQHHQSA-N 358.442 3.967 0 40 FHAB COc1ccccc1C1(CNC(=O)N[C@H]2CCOc3ccc(F)cc32)CC1 69090924 BSMVSYDKYHJGIK-KRWDZBQOSA-N 370.424 3.689 0 40 FHAB COc1ccc(CN2CCOC[C@H]2c2nc(-c3ccc(F)cc3)c[nH]2)cc1 67898737 ZKVMPAHPAPIANA-FQEVSTJZSA-N 367.424 3.798 0 40 FHAB biogenic,in-vitro C[C@H](NC(=O)[C@H]1COc2ccccc2O1)c1cccc(C(F)(F)F)c1 9683362 PDPPXIAIVNRHLZ-MEDUHNTESA-N 351.324 3.723 0 40 FHAB CC(C)n1ccc2c(NC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)cccc21 95478057 VUFJMSPQTBNDAG-HNNXBMFYSA-N 365.433 3.802 0 40 FHAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccn(Cc2ccccc2)n1 28247280 XWDQILCXADFNPQ-AWEZNQCLSA-N 355.825 3.991 0 40 FHAB Cc1ccccc1NC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1 9914368 AIVONLLJYCEXPA-UHFFFAOYSA-N 355.397 3.946 0 40 FHAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)NCc1ccccc1OC(F)(F)F 503149829 LVAGTGYYLRFMKN-HIFRSBDPSA-N 374.403 3.980 0 40 FHAB COc1cccc(C(=O)OCc2ccc(I)cc2)c1 409204455 GTBVUXGORKOVQR-UHFFFAOYSA-N 368.170 3.657 0 40 FHAB COc1ccc(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cn1 36748417 MDHIJMXYHFFLIE-UHFFFAOYSA-N 362.433 3.932 0 40 FHAB O=C(NCc1ccccc1C(F)(F)F)Nc1ccc(-n2cncn2)cc1 1515054033 JKAHQLOSNUTFOI-UHFFFAOYSA-N 361.327 3.608 0 40 FHAB Cc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3cc(C)ccc3C)n2)cc1 219075203 JMIDSRYINWFEGA-MRXNPFEDSA-N 365.433 3.746 0 40 FHAB O=C(CN1CCC[C@H]1c1cccc(Cc2ccccc2F)n1)N1CCCC1 72357647 CAAJSLGQNOZMDP-NRFANRHFSA-N 367.468 3.571 0 40 FHAB Cc1cc(C)nc(SCC(=O)Nc2ccc(Br)cc2F)n1 33668033 PSSJRZXXZUUYBY-UHFFFAOYSA-N 370.247 3.726 0 40 FHAB COc1cc(-c2nn(CNc3ccccc3)c(=S)o2)cc(OC)c1OC 39238759 ZLPICSYSKJSFQN-UHFFFAOYSA-N 373.434 3.968 0 40 FHAB Cc1c([C@H]2SCC(O)=Nc3c2c(O)nn3C2CCCCC2)cnn1C 79490190 UKGHXXVCISFPST-OAHLLOKOSA-N 361.471 3.560 0 40 FHAB COc1cc(OC)cc(C(=O)N(Cc2cccc3[nH]ccc23)C2CC2)c1 32102234 QEDZYYJTLSPHCS-UHFFFAOYSA-N 350.418 3.990 0 40 FHAB COCCC(=O)N1CCC[C@H](c2cc(-c3cccc(OC)c3)cc(C)n2)C1 72370058 NYKURFBQVOJUBQ-SFHVURJKSA-N 368.477 3.808 0 40 FHAB CC(C)(C)OC(=O)NCCCCC(=O)c1ccc(Br)nc1 72211593 YRGGHBSTPQOXOA-UHFFFAOYSA-N 357.248 3.722 0 40 FHAB COc1ccc([C@@H]2CN(Cc3cccc(F)c3)C[C@H]2c2ccn[nH]2)cc1 72395160 MAWSCDQQBJJIAS-VQTJNVASSA-N 351.425 3.941 0 40 FHAB COc1ccc(CCCNC(=O)COc2ccccc2C(C)C)cc1OC 222811833 ZREKTMGRXPKQGX-UHFFFAOYSA-N 371.477 3.955 0 40 FHAB CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224809849 MPFZEBIKKTUYQP-UHFFFAOYSA-N 363.479 3.844 0 40 FHAB COc1cccc(CNC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)c1 225834968 XENYXFUHIUNNQL-UHFFFAOYSA-N 369.490 3.617 0 40 FHAB Cc1ccccc1CNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C 225819421 BQCSACOPNZDRAP-STZFKDTASA-N 374.440 3.984 0 40 FHAB CSc1cccc(NC(=O)N(C)Cc2cc(=O)[nH]c3ccccc23)c1 41077077 FZRLBZSRGOYJQB-UHFFFAOYSA-N 353.447 3.914 0 40 FHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)cc1C(C)C 223740925 GDLBQFMLQGXQLP-UHFFFAOYSA-N 351.443 3.778 0 40 FHAB CCOc1cccc(NC(=S)NCc2cccc(N3CCCC3=O)c2)c1 225646799 CJPVOWDWFGYMDE-UHFFFAOYSA-N 369.490 3.699 0 40 FHAB Cn1nc(-c2nc(-c3ccccc3C(F)(F)F)no2)cc1OC(F)F 577023597 YZZSIVUWHMAUQD-UHFFFAOYSA-N 360.242 3.757 0 40 FHAB O=C(c1cccc(Cl)c1)N1CC2(C[C@H](OCc3ccncc3)CS2)C1 247961117 XQLRAAMZAQAVAD-KRWDZBQOSA-N 374.893 3.652 0 40 FHAB O=C(c1cnccn1)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257299031 ROKHIYHVLVTBKU-GOSISDBHSA-N 366.396 3.562 0 40 FHAB CSc1nnc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)s1 260743676 OONXRMFWTXLVOU-LBPRGKRZSA-N 362.524 3.744 0 40 FHAB CO[C@H]1CCC[C@@H](C(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)C1 629620999 HNMMZBOHXOEMFG-YPMHNXCESA-N 352.837 3.824 0 40 FHAB Cc1ccc2oc(=O)cc(CN3CCN(c4ccc(F)cc4)CC3)c2c1 54105872 SKUQZIWFTPZQOO-UHFFFAOYSA-N 352.409 3.563 0 40 FHAB biogenic CC(C)c1nc(/C=C/c2ccc(O[C@@H]3CCOC3)cc2)ncc1C(=O)O 656613011 QCKGBOJLFQOFDT-CDVVCGDMSA-N 354.406 3.636 0 40 FHAB Cc1nc(C)c([C@H](C)NC(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)s1 56023606 IKUMMXLVKKEVDP-VKUYVZBCSA-N 369.490 3.543 0 40 FHAB CC[C@H](C)[C@@H](NC(N)=O)C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 104801765 DDJWTLULXXXMCV-QMTMVMCOSA-N 353.466 3.614 0 40 FHAB C=CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)c1 1155823235 FGQZDEGDUXNJGT-VIFPVBQESA-N 369.368 3.777 0 40 FHAB COc1ccc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)cc1 662499 RYNSWJZOEOENDI-GDNBJRDFSA-N 358.191 3.802 0 40 FHAB COc1ccccc1/C=C1/SC(=O)N(CNc2ccccc2OC)C1=O 3208583 FPILIFRLRDGACL-GZTJUZNOSA-N 370.430 3.810 0 40 FHAB Cc1ccc2nc(C3CCN(S(=O)(=O)c4ccccc4F)CC3)[nH]c2c1 5626080 XDDOJLPEEJDESN-UHFFFAOYSA-N 373.453 3.579 0 40 FHAB Cc1ccc2c(c1)c(C)c(C(=O)NCc1noc(-c3ccccc3)n1)n2C 12148640 OFYAVXXDSWDQBD-UHFFFAOYSA-N 360.417 3.775 0 40 FHAB Cc1cc(Nc2ccc(C(N)=O)cc2)n2nc(C)c(-c3ccccc3)c2n1 12421727 OPNCPTDVBBNUFA-UHFFFAOYSA-N 357.417 3.856 0 40 FHAB Cc1ccc2c([C@@H](O)CN3CCN(c4ccccc4F)CC3)c(C)[nH]c2c1 19219630 MUQIAGNRNAKROX-NRFANRHFSA-N 367.468 3.779 0 40 FHAB CCCC(=O)N1CC[C@](Cc2ccccc2-c2cccc(C)c2)(C(N)=O)C1 19501049 OCRGMAFIRROVOC-HSZRJFAPSA-N 364.489 3.709 0 40 FHAB CCn1cc(-c2cc(C(=O)N[C@@H](C)CCc3ccc(F)cc3)on2)c(C)n1 19524697 AYHUTEMVPUZJCD-ZDUSSCGKSA-N 370.428 3.757 0 40 FHAB Cc1sc2nc(C)n(C3CCN(Cc4cccnc4)CC3)c(=O)c2c1C 19561242 OUPAWPOGWKMLRC-UHFFFAOYSA-N 368.506 3.615 0 40 FHAB Cc1cc(C)nc(-n2nc(C)c3c2C[C@@H](c2cc(F)cc(F)c2)CC3=O)n1 19817215 KSGSCFVSYSISKH-CQSZACIVSA-N 368.387 3.778 0 40 FHAB CSc1cccc(NS(=O)(=O)c2cc(C(=O)O)cc(C)c2C)c1 5133573 BKVWMBVKESCOPY-UHFFFAOYSA-N 351.449 3.524 0 40 FHAB CCc1cc(OCC2CCN(c3cnc4ccccc4n3)CC2)nnc1C 1888913666 QHDRNLUHFXFLIO-UHFFFAOYSA-N 363.465 3.586 0 40 FHAB CCN1CCN(c2ccc(NC(=O)c3cnc4ccccc4c3)cc2)CC1 837316059 GOLCMDQYTQHHFJ-UHFFFAOYSA-N 360.461 3.629 0 40 FHAB COc1ccc(Cc2nnc(Nc3cc(Cl)ccc3OC)nc2O)cc1 4317190 HSTGPOYBJKCBAT-UHFFFAOYSA-N 372.812 3.582 0 40 FHAB Cc1noc(C)c1CC(=O)Nc1ccccc1NC(=O)c1cccs1 38678789 LNILSJNPTVBLAK-UHFFFAOYSA-N 355.419 3.786 0 40 FHAB Cc1oncc1CN1CCC(COc2cccc(C(F)(F)F)n2)CC1 585532062 MGVBBUHEAUXDDW-UHFFFAOYSA-N 355.360 3.688 0 40 FHAB CO[C@@H]1CCC[C@H](C(=O)N2CCC(c3nc4ccccc4cc3N)CC2)C1 12087778 XNJXIBGTHGHUMH-ZWKOTPCHSA-N 367.493 3.728 0 40 FHAB C[C@@H](C(=O)Nc1ccccc1Cl)n1nc(-c2ccccc2)ccc1=O 20095454 BOLNBCLUIGPUPT-ZDUSSCGKSA-N 353.809 3.763 0 40 FHAB O=C(CCc1nc(Cc2ccccc2)no1)N1CCC[C@H]2CCCC[C@@H]21 40107289 MDYCKVQACLBZPB-MSOLQXFVSA-N 353.466 3.774 0 40 FHAB COc1ccc(CCN(C)C(=O)C2(c3ccccc3)CCC2)cc1OC 30867229 ROFXGVRLUIKMJI-UHFFFAOYSA-N 353.462 3.827 0 40 FHAB CC(=O)OC[C@@]12CO[C@H](c3ccc4c(c3)OCO4)[C@H](C(C)=C[C@@H]1C)[C@@H]2C 100537420 OTAZKNLOTKUEQR-CETNWRRDSA-N 358.434 3.884 0 40 FHAB COCCN1C(=O)c2n[nH]c(-c3ccco3)c2[C@@H]1c1ccc(Cl)cc1 20715824 MNSVRDGOANQFBJ-KRWDZBQOSA-N 357.797 3.515 0 40 FHAB C[C@H]1CCc2sc(C(=O)OCC(=O)N(C)Cc3ccccc3)cc2C1 2660162 OFIOEZJRCKOYDC-AWEZNQCLSA-N 357.475 3.688 0 40 FHAB O=C(Nc1ncc(Cc2ccccc2)s1)[C@@H]1COc2ccccc2O1 818327 MPIHDUJEZFCBAB-KRWDZBQOSA-N 352.415 3.512 0 40 FHAB C[C@@H](OC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1)C(N)=O 2649644 XLFWBKNZABMPCW-SNVBAGLBSA-N 366.389 3.776 0 40 FHAB O=c1nc2n(c3c1oc1ccc(Br)cc13)Cc1ccccc1-2 3898699 MYHVGVNCNYYLMR-UHFFFAOYSA-N 353.175 3.934 0 40 FHAB biogenic O=C(OCN1C(=O)c2ccccc2C1=O)c1sc2ccccc2c1Cl 4870885 UJKSYSOCEXCYHZ-UHFFFAOYSA-N 371.801 3.965 0 40 FHAB NC(=O)Nc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cc1 32901862 RJRNVHGSXOTWJJ-UHFFFAOYSA-N 365.433 3.658 0 40 FHAB CN(Cc1ccsc1)C(=O)COC(=O)c1cc2cc(Cl)ccc2o1 7379665 ZTYRHUKECSXILR-UHFFFAOYSA-N 363.822 3.963 0 40 FHAB COc1ccc(CCNC(=O)c2csc(-c3ccccc3)n2)cc1OC 8276813 WEYCNHLGBKEVIE-UHFFFAOYSA-N 368.458 3.800 0 40 FHAB CC(=O)c1cccc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)c1 8586508 JVWDSIJUHWXHFQ-UHFFFAOYSA-N 364.357 3.568 0 40 FHAB COC(=O)C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(F)cc1 52868711 ZHRVGTLWDYIEIF-HNNXBMFYSA-N 369.314 3.879 0 40 FHAB Cn1ccnc1[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 108992452 DPWBKXUOTPSOHD-GBESFXJTSA-N 367.399 3.708 0 40 FHAB C[C@H](Sc1n[nH]c2nc3ccccc3n12)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 103321014 GXRPUSLFWCPLKC-XDQVBPFNSA-N 371.510 3.632 0 40 FHAB CCOc1c(Cl)cc(CNC(=O)[C@H](C)NC(C)(C)CC)cc1OC 96013682 IVPILHPOKSXHAA-LBPRGKRZSA-N 356.894 3.530 0 40 FHAB Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)Cn1cnc2ccsc2c1=O 22966409 PZNUWKDQXFPEHK-HNNXBMFYSA-N 372.490 3.504 0 40 FHAB COC(=O)c1ccc(Cl)c(NS(=O)(=O)Cc2ccc(Cl)cc2)c1 9694996 YDLGKJOUXLFIPA-UHFFFAOYSA-N 374.245 3.722 0 40 FHAB Cc1nc(S[C@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)oc1C 47558442 ISAACWNQAMUSDG-HNNXBMFYSA-N 362.426 3.744 0 40 FHAB O=C(Nc1ccccc1-c1ccccc1)[C@H]1CC(=O)N(Cc2ccccn2)C1 47668094 UKLZLLQQFFCSPN-SFHVURJKSA-N 371.440 3.736 0 40 FHAB CCOc1ccccc1CSCc1cccc(S(=O)(=O)N(C)C)c1 24069135 RCNCVLSJQCHDPR-UHFFFAOYSA-N 365.520 3.769 0 40 FHAB CCOc1ccccc1NC(=O)N1CCc2cc(OC)c(OC)cc2C1 43332644 YRUSSIOBWBATBX-UHFFFAOYSA-N 356.422 3.693 0 40 FHAB COc1cccc(SC[C@H]2CSc3nc4ccccc4c(=O)n32)c1 1405481 BGFAQRLXJQDBGW-LBPRGKRZSA-N 356.472 3.844 0 40 FHAB Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2cn3cccc(C)c3n2)o1 58428050 OXCVMQITNOLELV-IBGZPJMESA-N 359.433 3.634 0 40 FHAB CC(=O)NCc1ccc(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1 12617116 KFLYWBCMMJNJED-UHFFFAOYSA-N 365.260 3.902 0 40 FHAB CC(C)c1nnc(NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)s1 58171378 UAIVSDCFZBJGDP-UHFFFAOYSA-N 361.393 3.884 0 40 FHAB O=C(Nc1cnn(Cc2cn3ccccc3n2)c1)Nc1ccc(F)cc1F 58201250 WGJICSUZXIQLNY-UHFFFAOYSA-N 368.347 3.501 0 40 FHAB CN(c1ccc(N2CCCC2)cc1)S(=O)(=O)Cc1ccccc1Cl 10113773 DXYULFPIPOKADH-UHFFFAOYSA-N 364.898 3.906 0 40 FHAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 10357502 KCWUOPOMEWEMFN-UHFFFAOYSA-N 359.234 3.617 0 40 FHAB COc1cccc(-c2nnc3sc(COc4ccc(F)cc4)nn23)c1 10311697 MXDZERGPHOWYJD-UHFFFAOYSA-N 356.382 3.580 0 40 FHAB O=C(NCc1ccccc1N1CCCC1)c1csc(-c2ccco2)n1 58429520 XCNZBDHIGFISLI-UHFFFAOYSA-N 353.447 3.933 0 40 FHAB CCOc1ccc(NC(=O)CSc2ccc(Cl)nn2)cc1OCC 10653546 BVEZUVRCPZFEGN-UHFFFAOYSA-N 367.858 3.658 0 40 FHAB Cc1ccc(NC(=O)COC(=O)c2cc(C)oc2C)c(Br)c1 3319950 IWFGUEBMBAJDFB-UHFFFAOYSA-N 366.211 3.763 0 40 FHAB Cc1cc(-c2cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c3c(C)noc3n2)c(C)o1 12772920 UCNVHBCHKSHCIJ-RYUDHWBXSA-N 369.421 3.657 0 40 FHAB Cc1nc2ccccc2n1CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 10737231 NFPSBXMPPSHXRU-UHFFFAOYSA-N 371.868 3.972 0 40 FHAB CCOc1ccc(OCCC(=O)NCCc2cc(C)ccc2OC)cc1 12791292 UNRYIBKWKZKHDR-UHFFFAOYSA-N 357.450 3.530 0 40 FHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC[C@@H](C)C2)nc1 28939753 QMCYOSRTUNZYMW-MRXNPFEDSA-N 359.495 3.533 0 40 FHAB Cc1ccc(C(=O)NCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1 12806434 FIVHCMHSZYVYCY-CQSZACIVSA-N 367.474 3.554 0 40 FHAB CC[C@H](C)c1ccccc1NCc1nnc2n(C)c(=O)c3ccccc3n12 11724627 AHZADLIVNQCRLZ-AWEZNQCLSA-N 361.449 3.707 0 40 FHAB CS(=O)(=O)c1ccccc1C(=O)Nc1ccccc1Cc1ccccc1 3404038 JOSKIDWJKRFLIH-UHFFFAOYSA-N 365.454 3.933 0 40 FHAB O=C(CSc1nnc(-c2ccco2)o1)N[C@H]1CCCc2ccccc21 3421395 OLSMPIXHAOTRQK-AWEZNQCLSA-N 355.419 3.616 0 40 FHAB O=C(Nc1ccccc1O)C1CCN(CCOc2ccc(Cl)cc2)CC1 12911393 JOEXIZSETGBZRN-UHFFFAOYSA-N 374.868 3.775 0 40 FHAB COc1ccc2cc([C@@H](C)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)ccc2c1 12936214 CJMAICGEYNCKHE-GFCCVEGCSA-N 361.401 3.760 0 40 FHAB Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2cccc(C(N)=O)c2)c1Cl 13071842 FKXSPBDZHGGQFR-UHFFFAOYSA-N 373.261 3.510 0 40 FHAB Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)OC/C=C/Cl)c12 64494979 OEQRGFOTUZELBG-XBXARRHUSA-N 368.824 3.911 0 40 FHAB Cc1ccnc(-n2c(SCc3cc(C)no3)nc3ccccc3c2=O)c1 8529177 PBYZKBAKOXIKJM-UHFFFAOYSA-N 364.430 3.678 0 40 FHAB CN1C(=O)c2ccc(NC(=O)c3ccc(-c4cccc(F)c4)o3)cc2C1=O 13946336 UOJYDKVNKICHKQ-UHFFFAOYSA-N 364.332 3.564 0 40 FHAB Cc1ccn2cc(C(=O)OCc3cc(Cl)cc4c3OCOC4)nc2c1 5271549 QWRCTLTYFKWRMH-UHFFFAOYSA-N 358.781 3.520 0 40 FHAB COC(=O)c1cc2ccccc2cc1NC(=O)Cn1c(C)nc2ccccc21 65548152 CVBXCINBEABNJK-UHFFFAOYSA-N 373.412 3.923 0 40 FHAB CCOC(=O)c1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1 408732549 WQLJCSLAPYMILZ-YBEGLDIGSA-N 355.777 3.861 0 40 FHAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1OCC 27242284 PFULGUFGFMDQOS-UHFFFAOYSA-N 370.449 3.875 0 40 FHAB CC(C)c1ccc(NC(=O)NCC2(N3CCN(C)CC3)CCCCC2)cc1 28579963 SKFBRRFMDTUVSG-UHFFFAOYSA-N 372.557 3.882 0 40 FHAB CN(C[C@H]1COc2ccccc2O1)C(=S)Nc1ccc(F)c(Cl)c1 6865460 BVRLAMTVSNTXPX-LBPRGKRZSA-N 366.845 3.948 0 40 FHAB C[C@@H]1CCC[C@H](NC(=O)CSc2nnc(-c3ccccc3F)o2)[C@@H]1C 4987534 VYDRLXBWFUHEKR-JMSVASOKSA-N 363.458 3.909 0 40 FHAB COc1cc(Br)c(/C=C2/C(=O)N(C)c3ccccc32)cc1O 6948882 SEJFEZIPVLFQHO-KPKJPENVSA-N 360.207 3.680 0 40 FHAB Cc1cc(C)c(CS(=O)(=O)CCC(=O)Nc2cccc(F)c2)c(C)c1 67226177 OHIHKKPWHJNTAO-UHFFFAOYSA-N 363.454 3.695 0 40 FHAB CC1CCN([C@@H](CNC[C@@H](O)COc2ccccc2)c2cccs2)CC1 19363902 XVMDYZMIUIBHTN-QUCCMNQESA-N 374.550 3.551 0 40 FHAB COc1ccc(CNC(=O)[C@@H](C)N(C)Cc2ccc(Cl)s2)cc1 7677651 LXGICHRRPKZYFJ-GFCCVEGCSA-N 352.887 3.547 0 40 FHAB Cc1ccc(-c2ccc(=O)n(Cc3ccn(-c4cccc(F)c4)n3)n2)s1 84205777 HMJNYLQNAGDIKH-UHFFFAOYSA-N 366.421 3.653 0 40 FHAB COc1ccc(C(=O)Nc2nnc(CCCc3ccccc3)s2)cc1 9426448 LLKHTTGQOBQXOU-UHFFFAOYSA-N 353.447 3.974 0 40 FHAB CCc1ccc(N2C[C@H](C(=O)NCc3cccc(Cl)c3)CC2=O)cc1 408706533 AXIMRFZMHMTZLY-MRXNPFEDSA-N 356.853 3.572 0 40 FHAB CCc1ccc(CN(CN2C(=O)NC3(CCC(C)CC3)C2=O)C2CC2)cc1 96747829 MCUMYNXGPFXZBC-UHFFFAOYSA-N 369.509 3.672 0 40 FHAB CCN(CC(=O)Nc1ccc(OC)c(OC)c1)Cc1cccc(Cl)c1 97491313 RFRSCVIEQLNSRX-UHFFFAOYSA-N 362.857 3.818 0 40 FHAB COc1ccc(C2=CCN(C(=O)[C@@H](C)Oc3cccc(C(C)=O)c3)C2)cc1 95456662 IIJURCPOWPWEBD-MRXNPFEDSA-N 365.429 3.591 0 40 FHAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 408560047 BRDXXLHFLNNEHS-UHFFFAOYSA-N 361.467 3.670 0 40 FHAB O=C(NC1CCN(c2cc(-c3ccccc3)n[nH]2)CC1)c1ccsc1 98212600 BGIPKDWDGWQRNN-UHFFFAOYSA-N 352.463 3.537 0 40 FHAB CC(C)[C@H]1CCCN1c1ccc(NC(=O)CCc2cnn(C)c2)cc1F 95992943 GVLUUCOYIWOTQR-GOSISDBHSA-N 358.461 3.755 0 40 FHAB COc1ccc(-n2ccc(C(=O)N3CCSc4ccccc43)n2)cc1 89455527 HJQVVJLGWHFXLR-UHFFFAOYSA-N 351.431 3.633 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1 64580987 GTCYZPXUHITKQW-UHFFFAOYSA-N 369.808 3.955 0 40 FHAB O=C(CN1CCC(Cn2cnc3ccccc32)CC1)Nc1ccc(F)cc1 38535510 QUIXCHYGGXSBEN-UHFFFAOYSA-N 366.440 3.526 0 40 FHAB Cc1nccn1-c1ccc(CNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 38757065 DPZLVTFOJFGSBZ-CQSZACIVSA-N 369.852 3.918 0 40 FHAB CCN(CC(=O)NC(=O)Nc1ccccc1F)[C@H](C)c1cccc(OC)c1 32927248 FHTWWWKIUYLNDP-CQSZACIVSA-N 373.428 3.566 0 40 FHAB Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCCCOC(C)C 71326759 ADWFBKCTJWDELP-UHFFFAOYSA-N 368.890 3.788 0 40 FHAB Cc1ccc(C(=O)CSc2nccn(-c3ccc(F)cc3)c2=O)cc1 9639607 VEOCSCNLWWDLIV-UHFFFAOYSA-N 354.406 3.655 0 40 FHAB O=C(N[C@H]1CCCOc2ccccc21)N1CC[C@H](c2ccc(O)cc2)C1 1563889240 RERODVVJELZEDB-LPHOPBHVSA-N 352.434 3.805 0 40 FHAB O=C(NC[C@@](O)(c1ccccc1)C1CCOCC1)Nc1ccccc1Cl 675008258 MEMBXGKOBFOUOG-HXUWFJFHSA-N 374.868 3.776 0 40 FHAB Cn1c2c(sc1=O)[C@H](c1ccc(F)cc1)CC(=O)N2c1ccc(F)cc1 66089785 DHDMDDSSGVXQTA-HNNXBMFYSA-N 372.396 3.925 0 40 FHAB O=C(NC1CCCC1)c1cc([C@@H]2CCCCN2CCc2ccccc2)n[nH]1 72380537 QZXBZTLECWIKNS-NRFANRHFSA-N 366.509 3.852 0 40 FHAB O=C(NCCC1CCCCC1)C(=O)Nc1ccc(Br)cc1F 42645961 BRXXIRXFVBBTJX-UHFFFAOYSA-N 371.250 3.613 0 40 FHAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 222398783 FREQPPLGKALRJT-QGZVFWFLSA-N 370.518 3.559 0 40 FHAB Cc1cc(N2Cc3ccccc3C2)nc(NC(=S)NC2CCCC2)n1 226006794 NOTKUEZTVHABIZ-UHFFFAOYSA-N 353.495 3.534 0 40 FHAB C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1 223095006 OWLUAZJVWLJSOU-GOSISDBHSA-N 366.505 3.604 0 40 FHAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC[C@H]1COc2ccccc2O1 225256674 IGYVINPZHDDGMT-YJBOKZPZSA-N 369.461 3.708 0 40 FHAB Cc1ccccc1NC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 42645932 XJAUZAQBGLACEZ-UHFFFAOYSA-N 358.441 3.882 0 40 FHAB COc1ccc(CCC(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224702952 GTWQBHKLIQPJRS-UHFFFAOYSA-N 366.505 3.930 0 40 FHAB CCCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCCCC1 226277091 WITKWXLUAFJCPJ-UHFFFAOYSA-N 372.387 3.769 0 40 FHAB Cc1cccc(-c2noc(CCC(=O)N[C@H](C)c3ccc(F)cc3)n2)c1 225815003 CKHBPKOCQQRYHT-CQSZACIVSA-N 353.397 3.994 0 40 FHAB CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)Nc1ccnn1C1CCCC1 95502162 VOOKZMXCCGPCBP-UHFFFAOYSA-N 356.405 3.678 0 40 FHAB CN(C)C(=O)C[C@H]1CC2(CCN(Cc3ccoc3)CC2)c2ccccc21 96161226 HZBRGOCUZVKNTI-SFHVURJKSA-N 352.478 3.779 0 40 FHAB Cc1c(-c2nnc3sc(CCN4CCCC4)nn23)oc2ccccc12 96194445 WFIRHHOXEZIAKS-UHFFFAOYSA-N 353.451 3.546 0 40 FHAB Cc1cnc(-c2nnc([C@H]3CCCCN3Cc3ccccc3F)o2)cn1 257302574 SDLKQHYGLAJZTK-QGZVFWFLSA-N 353.401 3.701 0 40 FHAB Cc1nccc(C(=O)N2CCC[C@@H](Cc3cccc4ncccc34)CC2)n1 257270795 MVRFQAKRUXESKE-QGZVFWFLSA-N 360.461 3.818 0 40 FHAB Cc1ccc(C[C@@H]2CCCN(C(=O)c3ccc(CN(C)C)cc3)C2)cn1 257213843 CJHVZZRESURMRY-FQEVSTJZSA-N 351.494 3.547 0 40 FHAB C[C@H](c1ccccc1)N(C(=O)Cc1nnn(C(C)(C)C)n1)C1CCCC1 622866089 QRTLWUZDXSSOKR-OAHLLOKOSA-N 355.486 3.503 0 40 FHAB Cc1sc(NC(=O)[C@@H]2CCC(=O)c3ccccc32)nc1Br 1121286658 KPXAZRMTFKHQCJ-LLVKDONJSA-N 365.252 3.913 0 40 FHAB CN(C)C1CCC2(CC1)CCN(C(=O)c1cc(F)c(O)c(Cl)c1)CC2 615444847 BBENYPPEHYKCMD-UHFFFAOYSA-N 368.880 3.911 0 40 FHAB O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN1c1nc2ccccc2o1 96122546 ORZLHGWHQDNVHB-KRWDZBQOSA-N 369.852 3.809 0 40 FHAB CC(C)c1ccc(OCCNC(=O)NCC(C)(C)c2ccncc2)cc1 678158792 FAEMUFRHPSDSPE-UHFFFAOYSA-N 355.482 3.861 0 40 FHAB O=C(Nc1cccc(CNCc2ccc(F)c(F)c2)c1)c1ccncc1 55171812 WNJVMUQMBBFBAL-UHFFFAOYSA-N 353.372 3.902 0 40 FHAB O=C(Nc1ccc(Oc2ncccn2)cc1)c1ccn(-c2ccccc2)n1 59360509 FNRLHNWTNLMVKY-UHFFFAOYSA-N 357.373 3.707 0 40 FHAB CC1(C)C[C@@H]2CN(C(=O)CN3CCCCC3)CC[C@@H]2N1c1cccc(F)c1 1615160285 YSCCZBBNUJBOFV-XLIONFOSSA-N 373.516 3.517 0 40 FHAB CC(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 1088632 ABSYOCZFEQDTFL-UHFFFAOYSA-N 359.234 3.753 0 40 FHAB Cc1nn(-c2ccccc2)nc1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 12372680 IXDPAWOPQPBWPX-BZSISCHUSA-N 364.493 3.910 0 40 FHAB Cc1nc(-c2ccccc2)sc1C(=O)NCC(=O)OCc1ccccc1 15516395 OGRMEYSXJKAFMV-UHFFFAOYSA-N 366.442 3.592 0 40 FHAB Fc1cc(F)cc(CN2[C@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)c1 19291882 VDEUVQSPRPMSFD-QFBILLFUSA-N 356.420 3.617 0 40 FHAB CC(C)CC(=O)N1CCCN(C(C)C)CCNCc2ccc(Cl)cc21 643589223 RMMXDNCXDIDLDR-UHFFFAOYSA-N 365.949 3.923 0 40 FHAB COc1ccc2cc(CN(C)[C@H](C(N)=O)c3ccc(F)cc3)ccc2c1 24529171 WPAARVCXQDYFRU-FQEVSTJZSA-N 352.409 3.646 0 40 FHAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc3c(C)cccc3s2)c1 5241302 OUKWEOHKFZPOAE-UHFFFAOYSA-N 360.460 3.651 0 40 FHAB Cc1ccc2nc(N(CCN(C)C)C(=O)Cc3ccc(F)cc3)sc2c1 10186769 GGDLYASLAOTSCA-UHFFFAOYSA-N 371.481 3.881 0 40 FHAB Cn1cccc1[C@@H](CNC(=O)C1CCCCC1)N1CCc2ccccc2C1 21151544 GNWJTIHYAFKZNT-JOCHJYFZSA-N 365.521 3.821 0 40 FHAB CCCOc1ccc(S(=O)(=O)NCC2(c3cccs3)CC2)cc1C 22686684 KQJAHNQVBQDUHD-UHFFFAOYSA-N 365.520 3.855 0 40 FHAB COc1ccc(-c2nn3c(N4CCCC4)cc(C)nc3c2C)cc1OC 23118880 IFZKZSWNZGAKKK-UHFFFAOYSA-N 352.438 3.631 0 40 FHAB CCOC(=O)Nc1ccc(C(=O)Nc2cnc(-c3ccccc3)nc2)cc1 40017149 KMLBLNYXOCHVSY-UHFFFAOYSA-N 362.389 3.964 0 40 FHAB CCS(=O)(=O)c1ccccc1C(=O)N[C@@H](C)c1cccc(Cl)c1 20011480 GCMVAJCPJLQIRM-LBPRGKRZSA-N 351.855 3.625 0 40 FHAB CCN(CC)[C@H](CNC(=O)c1ccc(C)c(NC(C)=O)c1)c1ccsc1 40108813 UZETZLDDGYPFJQ-LJQANCHMSA-N 373.522 3.828 0 40 FHAB CCOC(=O)CCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 40122613 ZYMIUZJYSYLFSG-KRWDZBQOSA-N 351.855 3.950 0 40 FHAB CC(=O)N[C@H](CC(=O)N(C)Cc1ccc(Cl)cc1)c1cccs1 30846029 VQPBBVXLZCOOTO-OAHLLOKOSA-N 350.871 3.627 0 40 FHAB COc1ccccc1OCC(=O)Nc1nc(-c2ccc(C)cc2)ns1 11914490 SKROFKXPYCVUFG-UHFFFAOYSA-N 355.419 3.540 0 40 FHAB O=C(COC(=O)c1ccc(-n2cccn2)cc1)c1cccc(C(F)(F)F)c1 21469873 IUNFLBBFMJSOQJ-UHFFFAOYSA-N 374.318 3.931 0 40 FHAB COc1cccc(NC(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccco2)c1 1369158 FHNPRHRFEKDWLJ-ROUUACIJSA-N 369.465 3.995 0 40 FHAB CCOc1ccccc1NC(=S)NC1C[C@@H]2CCC[C@@H](C1)N2C1CC1 1369665 AJUVTTRWDGSBFI-IRXDYDNUSA-N 359.539 3.920 0 40 FHAB CC[C@H](NC(=O)[C@@H](c1ccccc1)N1CCCCC1=O)c1nc(C)cs1 78621785 CNRGVXQULLABSU-FUHWJXTLSA-N 371.506 3.773 0 40 FHAB CCC12CN3CC(CC)(CN(C1)C3c1cc3ccccc3nc1Cl)C2=O 79473872 LMTRUCGGNYILJG-UHFFFAOYSA-N 369.896 3.894 0 40 FHAB CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](C(=O)O)c2ccc3ccccc3c2)C1 2527349 KLOYZXFPIGMFNV-MSOLQXFVSA-N 370.449 3.565 0 40 FHAB CCOCc1ccccc1CNC(=O)c1cnn(-c2ccc(F)cc2)c1C 32809413 XGJPLFDUGLHHNO-UHFFFAOYSA-N 367.424 3.786 0 40 FHAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc2c(c1)OCO2 3232711 JPUQYPULZQTDSH-KMFMINBZSA-N 362.422 3.576 0 40 FHAB COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)O[C@@H]1CC[C@@H](C)[C@@H](C)C1 4066625 IYZGWKKKLLAJOX-FCIKYMEBSA-N 372.465 3.691 0 40 FHAB COc1ccccc1C(=O)Nc1cc2nn(-c3ccccc3)nc2cc1C 4093680 ZWFPSDXCCFMQAC-UHFFFAOYSA-N 358.401 3.990 0 40 FHAB COCCc1ccc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 21746233 ARBVHPMNTQCJTB-UHFFFAOYSA-N 369.339 3.792 0 40 FHAB COc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(C)cc3)no2)cc1OC 4998298 UOGKTGDHEBNEDG-CYBMUJFWSA-N 367.405 3.553 0 40 FHAB COC(=O)[C@]1(Cc2ccc3c(c2)CCC3)Cc2cc3c(cc2C1=O)CCC3 6006601 OJPPMCOCOQWCNP-XMMPIXPASA-N 360.453 3.805 0 40 FHAB Cc1nc(NC(=O)c2ccn(COc3ccc(Cl)cc3)n2)sc1C 2787392 XUVOGQJUZWSYKZ-UHFFFAOYSA-N 362.842 3.899 0 40 FHAB CN(Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)[C@H]1CCCc2ccccc21 7327928 QAVVATJJLKOPQK-INIZCTEOSA-N 365.502 3.983 0 40 FHAB O=S(=O)(Nc1cccc2cccnc12)c1ccc(OC(F)(F)F)cc1 7709480 OSTXFDHXPSNOCY-UHFFFAOYSA-N 368.336 3.934 0 40 FHAB CCc1ccc(C(=O)COC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 7777604 KOZHHMKNHIAVHZ-HXUWFJFHSA-N 368.429 3.847 0 40 FHAB CC(C)NC(=O)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 2725467 BDZQAWMLSLTWNR-UHFFFAOYSA-N 359.131 3.688 0 40 FHAB C[C@@H]1C[C@H](NC(=O)c2cc3c(=O)n4ccccc4nc3s2)CC(C)(C)C1 2722848 FTCVHWZLBAPKBJ-OLZOCXBDSA-N 369.490 3.854 0 40 FHAB CCOC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CC[C@@H](CC)C2 668567 IBVFDWJWVJKGMN-YPMHNXCESA-N 351.468 3.557 0 40 FHAB COc1ccc(OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 646391 BWGLVDRMTSNMQP-UHFFFAOYSA-N 358.394 3.975 0 40 FHAB Cc1nn(CC(=O)Nc2ccc(Cl)cc2Cl)c(=O)c2ccccc12 860967 HLEYXRXRFIQOHW-UHFFFAOYSA-N 362.216 3.650 0 40 FHAB CN(C)Cc1ccc(CN2[C@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)cc1 100765327 YFSKCODKLVXBBJ-VXKWHMMOSA-N 368.496 3.902 0 40 FHAB CC[C@@H](C)c1ccc(N[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 12527834 XKOGVQMKFLITQL-OLZOCXBDSA-N 352.438 3.809 0 40 FHAB O=C(CNc1ccc(Oc2ccc(Br)cc2)cc1)NC1CC1 12536942 SMIOXOPOLJRATC-UHFFFAOYSA-N 361.239 3.932 0 40 FHAB Cn1ccnc1[C@H](NC(=O)c1ccccc1OC(F)F)c1ccccc1 12531921 KPEFFXNVCUVROH-MRXNPFEDSA-N 357.360 3.541 0 40 FHAB CC(C)CNC(=O)c1ccc(NCc2nc(CC(C)C)no2)cc1Cl 55885552 MYVQLURIAKRVSJ-UHFFFAOYSA-N 364.877 3.919 0 40 FHAB CN(C)[C@@H](CNC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1ccccc1 25421262 PPNIPEYWHLLJCX-KRWDZBQOSA-N 374.868 3.534 0 40 FHAB C[C@@H]1CCCCN1Cc1ccc(CNC(=O)c2cccc3cn[nH]c23)cc1 48252258 CYTFFFZYZJFQCB-MRXNPFEDSA-N 362.477 3.867 0 40 FHAB Cc1cc2oc(C(=O)Nc3onc4c3C[C@H](C)CC4)cc(=O)c2cc1C 27748244 OEHBLHZIHSMWAJ-SNVBAGLBSA-N 352.390 3.775 0 40 FHAB COc1ccc(OS(=O)(=O)c2csc(-c3ccc(F)cc3)n2)cc1 58363179 HACRMHQOYCABQD-UHFFFAOYSA-N 365.407 3.726 0 40 FHAB Cc1nc(CCNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cs1 27990513 PQJJYOOQVKEEFQ-LBPRGKRZSA-N 352.887 3.848 0 40 FHAB Cc1cc2oc(C(=O)Nc3nnc(C(C)C)s3)cc(=O)c2cc1Cl 2229287 WUJNOLWHPIOMBJ-UHFFFAOYSA-N 363.826 3.982 0 40 FHAB COc1cc(OC)c(-c2nn3c(C4CCCCC4)nnc3s2)cc1OC 2395154 SMXDSFKCGCQAEX-UHFFFAOYSA-N 374.466 3.926 0 40 FHAB CCCCOCCN(C(=O)[C@@H]1CCCO1)c1ccc(Br)cc1 72288268 VGGGOXMFPZYNIL-INIZCTEOSA-N 370.287 3.778 0 40 FHAB Cc1c(Cl)cccc1NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 11127637 KPFBSLWFEINIJK-LBPRGKRZSA-N 357.841 3.824 0 40 FHAB CCN(C(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1cc(C)ccc1C 45516970 LQKNHYKORBPHPZ-UHFFFAOYSA-N 350.418 3.624 0 40 FHAB CC(C)COC[C@@H](O)CNc1ncnc2sc(-c3ccccc3)cc12 59121452 ZFTSYFASJVFPQB-HNNXBMFYSA-N 357.479 3.804 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)CNc3ccc(C)cc3Cl)ccc21 12780196 NJFDBKUXQCTLJZ-UHFFFAOYSA-N 357.841 3.608 0 40 FHAB C[C@@H](CC(=O)NCc1ccc(C(F)(F)F)cc1)NC(=O)c1ccccc1 12746772 BBMCQEXNABEDRX-ZDUSSCGKSA-N 364.367 3.530 0 40 FHAB O=C(/C=C/c1cccnc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 12796834 GEGBCHKEQGHEFJ-KPKJPENVSA-N 359.433 3.718 0 40 FHAB COc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1OC(F)F 29198704 BLVUNZZMZXRGRC-UHFFFAOYSA-N 361.300 3.655 0 40 FHAB CCN(Cc1cccc(F)c1)C(=O)NCc1cccc(NC(=O)C2CC2)c1 12885772 VZISDARSOFACMF-UHFFFAOYSA-N 369.440 3.906 0 40 FHAB COc1ccccc1COc1ccc2nc3n(c(=O)c2c1)CCCCC3 12899333 XPJNUHYGJHYHQC-UHFFFAOYSA-N 350.418 3.711 0 40 FHAB biogenic O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)Nc1cc(F)ccc1F 3406462 JIOVNJCTTCVRJH-UHFFFAOYSA-N 371.339 3.577 0 40 FHAB CC(C)c1ccc(NC(=O)COc2cccc(N3CCCC3=O)c2)cc1 12993497 SWMOWDMRTJCDHC-UHFFFAOYSA-N 352.434 3.954 0 40 FHAB CCOC(=O)C(=O)c1ccc(C(F)(F)F)cc1NC(=O)OC(C)(C)C 38261001 BEUNZLCJPJMKQG-UHFFFAOYSA-N 361.316 3.798 0 40 FHAB O=C(Nc1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCOc2ccccc21 48763692 LIZDBNWBOLUEGA-GFCCVEGCSA-N 365.216 3.572 0 40 FHAB Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccc2c(c1)OCO2 8490721 ZHBBAYYANRYLIO-NTUHNPAUSA-N 352.415 3.748 0 40 FHAB Cn1nccc1-c1nn2c(-c3cc(Cl)ccc3Cl)nnc2s1 49545074 WYNYFMKVFJSSSH-UHFFFAOYSA-N 351.222 3.560 0 40 FHAB CC(C)(C)C(=O)N1CCC(C(=O)N2CCCCC[C@@H]2c2ccncc2)CC1 49764518 UTPYVTKBZLTRLT-LJQANCHMSA-N 371.525 3.810 0 40 FHAB O=C(OCc1nnc(-c2ccccc2)o1)C1=Cc2cc(Cl)ccc2OC1 8518407 CTNKVRFLMQDUTP-UHFFFAOYSA-N 368.776 3.909 0 40 FHAB Cc1ccccc1NC(=O)Cc1nnc(NC(=O)Nc2ccccc2)s1 8769114 PZOAGAIMLWEZSC-UHFFFAOYSA-N 367.434 3.672 0 40 FHAB COC[C@H](C)NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 14189455 GVJUZLAPDAOVIB-ZDUSSCGKSA-N 351.402 3.533 0 40 FHAB O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1ccc(Cl)cc1 14249961 VZLKXACCHGNOPX-UHFFFAOYSA-N 352.217 3.737 0 40 FHAB COc1ccc(CNC(=O)CCc2c(C)nn(-c3ccccc3)c2C)cc1 6509147 GYEPYUZLRQZGDS-UHFFFAOYSA-N 363.461 3.747 0 40 FHAB Cc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)Nc3cc(C)no3)cs2)cc1 14572874 VUCNNJFRYYBMDK-GFCCVEGCSA-N 371.418 3.599 0 40 FHAB CCc1ccc(C2=NN=C(NCc3ccc4c(c3)OCO4)SC2)cc1 6671526 PYAWEVDLBIAYET-UHFFFAOYSA-N 353.447 3.574 0 40 FHAB O=C(COC(=O)/C=C/c1ccccc1Cl)Nc1ccc(Cl)cn1 4808249 LAJVMDNKYWSZOB-VMPITWQZSA-N 351.189 3.584 0 40 FHAB Cc1c(F)cccc1-n1nnc(C(=O)N[C@H](C)c2ccc(F)cc2)c1C 67264063 HFKKSJRCKAYIMM-GFCCVEGCSA-N 356.376 3.653 0 40 FHAB O=C(NCc1ccccc1Cl)c1n[nH]nc1Nc1ccc(Cl)cc1 67283649 JEQNTQOCYAZFMG-UHFFFAOYSA-N 362.220 3.785 0 40 FHAB O=C(CSc1ncnc2ccccc12)NC1C2CC3CC(C2)CC1C3 7007596 FEDWMQCHHOMCSZ-UHFFFAOYSA-N 353.491 3.663 0 40 FHAB CCOc1ccccc1NC(=O)[C@H](NC(=O)Nc1ccccc1)C(C)C 8938650 JLAOILXGSCUTIV-GOSISDBHSA-N 355.438 3.870 0 40 FHAB CCN(C/C=C/c1ccccc1OC)Cc1ccc(C(=O)N(C)C)cc1 93083916 IATJYMBIFHSBFQ-CSKARUKUSA-N 352.478 3.932 0 40 FHAB Cc1nc2ccc(Oc3ccccc3)cc2c(O)c1CN1CCN(C)CC1 19793249 VUXDTEGTUKVVGC-UHFFFAOYSA-N 363.461 3.789 0 40 FHAB FC(F)COc1cccc(CNCc2csc(-c3ccccn3)n2)n1 93970058 NQXJVSCGFPVUFT-UHFFFAOYSA-N 362.405 3.534 0 40 FHAB O=C(NCCc1ccccn1)c1cn(-c2ccccc2)nc1-c1cccs1 21183408 IYMIARUQMHKJOP-UHFFFAOYSA-N 374.469 3.968 0 40 FHAB CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)[C@H]3C[C@@H]3c3ccco3)cc21 84140073 CLAQZDVYPPYEJD-GJZGRUSLSA-N 368.433 3.793 0 40 FHAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1 408705441 FVDNALHBHQOCEN-UHFFFAOYSA-N 366.870 3.687 0 40 FHAB O=C(CSCc1cccc(Cl)c1)NC[C@H]1COc2ccccc2O1 25984579 ZBAHQJLOMFCOJX-HNNXBMFYSA-N 363.866 3.529 0 40 FHAB COc1ccc(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)cc1O 408842396 JTQLHHXRLCEBEQ-MDWZMJQESA-N 374.190 3.508 0 40 FHAB COc1ccc(-c2csc(CN3C(=O)c4ccccc4C3=O)n2)cc1F 30448584 BRNCNGJBIPAPPP-UHFFFAOYSA-N 368.389 3.754 0 40 FHAB Cc1ccc(C)c(O[C@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)c1 219078245 GSUAEYXNTGYMCY-CQSZACIVSA-N 371.462 3.841 0 40 FHAB C[C@@H]1CC(NC(=O)NCc2ccc(CN3CCCC[C@H]3C)cc2)C[C@@H](C)O1 535045671 IBERYEJRZCXYBW-KZNAEPCWSA-N 373.541 3.816 0 40 FHAB C[C@]1(c2ccccc2)CCCN(C(=O)c2ccnc(NC(=O)C3CC3)c2)C1 556839406 HTKVSTSUROZWSS-QFIPXVFZSA-N 363.461 3.624 0 40 FHAB COc1ccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c(OC)c1 39745537 OJIWZJWPFRYMSR-UHFFFAOYSA-N 368.477 3.863 0 40 FHAB CCOC(=O)c1ccccc1Nc1cc(N)nc(-c2ccc(F)cc2)n1 49467984 LIYRAHLKUMGVHV-UHFFFAOYSA-N 352.369 3.785 0 40 FHAB COc1cccc(-c2cnc(CCC(=O)Nc3ccc4c(c3)OCO4)o2)c1 224847365 IITNMUFVPOVQLY-UHFFFAOYSA-N 366.373 3.650 0 40 FHAB O=C(Nc1cc(F)c(F)c(F)c1)[C@H]1CC(O)=Nc2nc3ccccc3n21 44893207 WXFJKKGQUYLPAR-CYBMUJFWSA-N 360.295 3.625 0 40 FHAB Cc1cc(OCC(=O)NCCOc2ccc(Cl)cc2)ccc1Cl 41157529 KYEVLEHHSFMRKY-UHFFFAOYSA-N 354.233 3.876 0 40 FHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(OC)nc1 225689012 KOVFJPKPORPBBN-OAHLLOKOSA-N 373.478 3.688 0 40 FHAB CCc1ccccc1NC(=O)c1ccc(Cl)c(N(C)S(C)(=O)=O)c1 225973146 MYXSWZUZAGKEIM-UHFFFAOYSA-N 366.870 3.551 0 40 FHAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCC 223497561 CQZZSYJLHWXBLE-FQEVSTJZSA-N 370.468 3.702 0 40 FHAB CCOC(=O)c1c(NCc2ccc(C)cc2)c2cccc(C)c2[nH]c1=O 49001456 OYUVSJGGOGLSQX-UHFFFAOYSA-N 350.418 3.934 0 40 FHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 45904033 FDGQRRNQIVSATP-CHWSQXEVSA-N 361.825 3.756 0 40 FHAB CCCC[C@H](CC)CNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 224396577 ZWMQVNIGCUSOLU-LBPRGKRZSA-N 360.907 3.658 0 40 FHAB CCc1ccc(N([C@H](C)C(=O)Nc2cc(C)ccc2C)S(C)(=O)=O)cc1 220261123 HROPRLFFNRSGKL-MRXNPFEDSA-N 374.506 3.659 0 40 FHAB Cc1nc(C)c(C(=O)N2Cc3ncc(C)n3C[C@@H]2c2ccccc2)s1 257315599 VCCDBJWKNBWVQE-MRXNPFEDSA-N 352.463 3.662 0 40 FHAB c1cc(-c2cn[nH]c2)nc([C@H]2CN(Cc3cccc4ncccc34)CCO2)c1 257290044 QBHWIWXMUZNTDF-JOCHJYFZSA-N 371.444 3.593 0 40 FHAB CSC[C@H](C)NC(=O)Nc1ccc(Br)c2ncccc12 597056262 CKFFWXPWJXWTNP-VIFPVBQESA-N 354.273 3.870 0 40 FHAB COc1ccc2c(c1)C(C)(C)C[C@H]2NC[C@@H]1CCO[C@H]1c1nccn1C 658277831 XKYKDNXCNGDCGS-GDIGMMSISA-N 355.482 3.519 0 40 FHAB O=C(NC[C@@](O)(c1ccoc1)c1ccco1)c1cc2ccccc2s1 390826291 HHPOWOOXCJIHJX-LJQANCHMSA-N 353.399 3.753 0 40 FHAB C[C@@]1(C2CC2)CN(C(=O)NCc2csc(-c3ccccc3)n2)CCO1 660923509 PDVHUOYGGPZRDI-IBGZPJMESA-N 357.479 3.521 0 40 FHAB O=C(NCc1nc(-c2ccccc2F)cs1)c1n[nH]c2c1CCCCC2 1639586239 AACDXIARAFFNGS-UHFFFAOYSA-N 370.453 3.871 0 40 FHAB Cc1cc(-c2cn[nH]c2C2CCN(C(=O)Nc3ccccc3F)CC2)on1 12118760 SICVBKAHTHIESE-UHFFFAOYSA-N 369.400 3.924 0 40 FHAB Cc1ccc(C)c(SCC(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1 12500211 FSPFEXCXFMQEGV-USXIJHARSA-N 363.523 3.880 0 40 FHAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)N5CCN(C)CC5)(C4)C2)C3)cc1 13154390 CMXBQJXVKBWQCN-MGAZVUHYSA-N 352.522 3.607 0 40 FHAB Oc1cc(-c2nc3c4c5c(sc4ncn3n2)CCC5)c2ccccc2n1 13495702 PRBAPOZVODRMOK-UHFFFAOYSA-N 359.414 3.749 0 40 FHAB CC[C@H](C(=O)Nc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13711918 RWKUTFRTSAJDIU-MRXNPFEDSA-N 366.870 3.523 0 40 FHAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)CCc3ccccc3)CC1)O2 19218180 DAPMTKUMLZQIJF-UHFFFAOYSA-N 363.457 3.954 0 40 FHAB CCC[C@H](C(=O)N1CCCC[C@H]1CCN1CCCC1)n1nc(C)cc1C 19501793 FKNBVJVTCOHCHW-VQTJNVASSA-N 360.546 3.708 0 40 FHAB COc1ccccc1[C@@H](NC(=O)c1ccn(C(F)F)n1)c1ccccc1 19569046 HDFJONIHCMXZKP-KRWDZBQOSA-N 357.360 3.806 0 40 FHAB Cc1noc(C)c1C(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C 19580111 OTFXHKWCBIDYRH-SFHLNBCPSA-N 367.493 3.774 0 40 FHAB CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 168267058 SHHVSNXHVAAGMV-UHFFFAOYSA-N 354.269 3.973 0 40 FHAB COCCCNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 3398555 MCSBEOZHYQJWIA-UHFFFAOYSA-N 351.402 3.535 0 40 FHAB COc1cccc(-c2cc(C)nc([C@H]3CN(C(=O)C(C)C)CCO3)c2)c1 2037834431 CXBDMSLSQGZFAC-HXUWFJFHSA-N 354.450 3.622 0 40 FHAB CCOc1ccc([C@H]2NCCc3cc(OC)c(OC)cc32)cc1OCC 718332 MFMMJAAVIGZLIL-OAQYLSRUSA-N 357.450 3.736 0 40 FHAB biogenic COc1ccc(NC(=O)c2nnn(-c3cccc(SC)c3)c2C)cc1 4316173 KSXCZAXXNBJHGK-UHFFFAOYSA-N 354.435 3.559 0 40 FHAB COc1ccc(-c2nnc(NC(=O)CSc3ccc(F)cc3)o2)cc1 4496783 SFCRDGQJDJBRJO-UHFFFAOYSA-N 359.382 3.615 0 40 FHAB Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3C)c2=O)cc1 4904733 WWRMEDNXQXXOSY-UHFFFAOYSA-N 356.425 3.818 0 40 FHAB Cc1ccc(NC(=O)c2c[nH]c3c(c(C)nn3-c3ccccc3)c2=O)cc1C 7424062 STYGTQQHOSSYBX-UHFFFAOYSA-N 372.428 3.891 0 40 FHAB COc1ccc2c(c1)s/c(=N/C(=O)c1ccc3ncsc3c1)n2C 11726311 IESYOBHFKLSWMD-HTXNQAPBSA-N 355.444 3.599 0 40 FHAB Cc1ccc(-c2cc(CC(=O)Nc3ccc4c(c3)OCCO4)no2)cc1 12422153 XKMNQMXJEGNLER-UHFFFAOYSA-N 350.374 3.602 0 40 FHAB COc1ccc(-n2nnc(C(=O)OCc3ccc(Cl)cc3)c2C)cc1 12415565 ACZMAKMWZKVSRW-UHFFFAOYSA-N 357.797 3.595 0 40 FHAB O=C(NCc1c(-c2ccccc2)nc2n1CCS2)c1ccccc1F 17191526 SWZGRBJEFLOYHC-UHFFFAOYSA-N 353.422 3.725 0 40 FHAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1c2c(nn1C)CCC2 38511261 UVXUWQARBZTWNS-UHFFFAOYSA-N 356.813 3.778 0 40 FHAB CCCc1nnsc1C(=O)N1CCC(COCc2ccccc2)CC1 49028676 AIBHFVAISWVXEQ-UHFFFAOYSA-N 359.495 3.560 0 40 FHAB C[C@@H]1C[C@@H](C(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 36440505 BMGFKWBYQPNFGZ-YJYMSZOUSA-N 351.402 3.731 0 40 FHAB COC(=O)[C@@H](C)NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1 4090891 QESKDYLWFPTWRI-CYBMUJFWSA-N 373.412 3.674 0 40 FHAB biogenic C[C@@H](OC(=O)c1cccnc1Oc1ccccc1)C(=O)NC1CCCCC1 32666185 ABJFNCALLRXORW-OAHLLOKOSA-N 368.433 3.868 0 40 FHAB Cc1occc1-c1nnc(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)o1 21332159 SIYXDJMKKQALSH-SNVBAGLBSA-N 354.391 3.728 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1ncnc2sc3c(c12)CCC3 780915 MGQZAZUEIIJSFN-AAEUAGOBSA-N 361.536 3.967 0 40 FHAB COc1ccc(OCc2nnc(SCC(=O)c3ccc(F)cc3)o2)cc1 876132 XOMWLDQLOUUEET-UHFFFAOYSA-N 374.393 3.771 0 40 FHAB Cn1c(C(=O)Nc2ccc(Cn3cncn3)cc2)cc2cc(Cl)ccc21 79478437 LLAIMHMJYJNFMQ-UHFFFAOYSA-N 365.824 3.724 0 40 FHAB CC[C@@H](C)c1ccccc1OC[C@H](O)CN1C(C)(C)CC(O)CC1(C)C 2694544 VLWDXHLABKTLOC-SJLPKXTDSA-N 363.542 3.954 0 40 FHAB O=C(/C=C/c1cccc2ccccc12)NCCCN1CCCCCC1=O 32902496 LVIPNKFWOOCTJT-BUHFOSPRSA-N 350.462 3.762 0 40 FHAB CC(C)(C)NC(=O)CSc1nnc(-c2ccc(Br)cc2)o1 4363988 WFNRZBQVXVHOLX-UHFFFAOYSA-N 370.272 3.506 0 40 FHAB CC(C)Oc1ccc(-c2nonc2NC(=O)COc2ccccc2)cc1 12111468 IVOVKIODMVVNNU-UHFFFAOYSA-N 353.378 3.541 0 40 FHAB O=C([C@@H](Sc1nc2ccccc2s1)c1ccccc1)N1CCOCC1 6840821 CHEWMXJMLYJLML-KRWDZBQOSA-N 370.499 3.989 0 40 FHAB O=C(O)CSc1ccc(NC(=O)c2ccc(N3CCCC3)cc2)cc1 7383369 QLOBJRPOHQHRFI-UHFFFAOYSA-N 356.447 3.716 0 40 FHAB CC(C)S(=O)(=O)c1ccccc1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 33157253 GJKMGVMJIITKNB-LBPRGKRZSA-N 367.417 3.638 0 40 FHAB O=C(c1ccc2ccccc2n1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8744919 GQJBZEINZCPPHC-IBGZPJMESA-N 360.413 3.983 0 40 FHAB COc1ccc(C2=CCN(C(=O)CCc3ccc4c(c3)OCO4)CC2)cc1 47554387 ORUAKVUZXVFALJ-UHFFFAOYSA-N 365.429 3.672 0 40 FHAB Cc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)O)c(Cl)c2)cc1C 20394529 FUQUBSMWMPZRAK-UHFFFAOYSA-N 362.838 3.782 0 40 FHAB COc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1OC(F)F 23874093 KKKMYFRPPZXOEV-UHFFFAOYSA-N 357.740 3.968 0 40 FHAB Cc1ccc(CCC(=O)N(C)C[C@H]2COc3ccccc3O2)cc1Cl 23184142 FQGFXLGRDYLAAX-INIZCTEOSA-N 359.853 3.879 0 40 FHAB O[C@H](CN1CCN(Cc2csc3ccccc23)CC1)c1ccccc1 22927195 KKCXXJGMANZULK-HXUWFJFHSA-N 352.503 3.753 0 40 FHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 23504040 PTVDRYFDEBXMCI-GFCCVEGCSA-N 367.417 3.510 0 40 FHAB COc1ccccc1NC(=O)[C@@H](C)Nc1ccc(N2CCCC2=O)c(C)c1 12538298 YXIZAYJKCHKSQD-OAHLLOKOSA-N 367.449 3.570 0 40 FHAB COc1ccc(OC)c([C@@H]2CC(=O)c3c([nH]c(C(=O)OC(C)C)c3C)C2)c1 1080780 VQFZAKZPMPGVMR-ZDUSSCGKSA-N 371.433 3.818 0 40 FHAB aggregator C[C@H]1CN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C[C@H](C)O1 22227954 UEVNVTKJGAJMNL-IUCAKERBSA-N 351.661 3.695 0 40 FHAB CCOC(=O)Nc1cccc(OCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 106539456 GDTNLMMTWOTBAS-XSWJXKHESA-N 360.454 3.575 0 40 FHAB COc1cc(C)c(NC(=O)Nc2cc(OC)c(OC)cc2C)cc1OC 25053652 GPADWKIKVAAAJA-UHFFFAOYSA-N 360.410 3.982 0 40 FHAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)c1ccccc1 3254835 BSNYKEUNCJSZFS-SFHVURJKSA-N 373.836 3.521 0 40 FHAB CCOc1ccc(CNC(=O)c2cc(-c3cccs3)[nH]n2)cc1OCC 57413831 RPYXPKLDZQILQP-UHFFFAOYSA-N 371.462 3.866 0 40 FHAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccc2c(c1)OCO2 12616496 XJAKEOFGWKSFSB-UHFFFAOYSA-N 372.327 3.920 0 40 FHAB COC(=O)c1ccccc1NC(=O)Cc1csc(-c2ccsc2)n1 12692778 ZAOGJPBOMXTGJT-UHFFFAOYSA-N 358.444 3.839 0 40 FHAB CCc1noc([C@@H](C)N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 12633931 JBMDOSHYFURJFN-GFCCVEGCSA-N 354.376 3.534 0 40 FHAB Cc1nc(C)c(C(=O)N2[C@H]3CC[C@@H](C3)[C@H]2COc2ccc(F)cc2)s1 100113112 YYWNUSJYMHKMSA-JLJPHGGASA-N 360.454 3.971 0 40 FHAB CCOc1ccc2nc(NC(=O)[C@H]3CC(=O)Nc4ccccc43)sc2c1 10642024 JNIDSXQVSCMZHN-ZDUSSCGKSA-N 367.430 3.760 0 40 FHAB CSc1cccc(NC(=O)CNc2ccc(NC(=O)C3CC3)cc2)c1 10942116 KITVKYKDOYLRAH-UHFFFAOYSA-N 355.463 3.808 0 40 FHAB Cc1cccc(NC2=NN=C(c3ccc4c(c3)CCC(=O)N4)CS2)c1 12741718 HDXXWIYHIYZYNV-UHFFFAOYSA-N 350.447 3.799 0 40 FHAB CN(CC(=O)NCC1(c2ccc(F)cc2)CCCC1)C(=O)c1cccs1 48345229 JPXNOJXPTCZFHK-UHFFFAOYSA-N 374.481 3.587 0 40 FHAB Cn1ccnc1[C@H](NC(=O)NCCc1ccccc1)c1ccc(Cl)cc1 29318778 ZYUNZXCVJWYKNZ-GOSISDBHSA-N 368.868 3.705 0 40 FHAB COC(=O)C[C@H](NC(=O)c1csc(-c2cccs2)n1)c1ccccc1 12878542 IEULCEYMSJGZOG-ZDUSSCGKSA-N 372.471 3.906 0 40 FHAB O=C(NC(=S)Nc1ncccc1O)c1cccc2c(Cl)cccc12 21596296 KJQRVEZDUKQHIZ-UHFFFAOYSA-N 357.822 3.721 0 40 FHAB C[C@H]1CCCN(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 48428192 OSRFDZRWFTVTLD-ZDUSSCGKSA-N 371.403 3.806 0 40 FHAB Cc1cccc(N2CCN(C(=O)CCC(=O)c3cccs3)CC2)c1C 3613601 WASBAQDCPADZHO-UHFFFAOYSA-N 356.491 3.677 0 40 FHAB CCCOc1cccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C)c1 8845766 BCVIOEPLUTVJQP-HXUWFJFHSA-N 363.417 3.746 0 40 FHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc(C)ccc2C)ccc1C 6286035 SXJFYMZZWJDLEX-UHFFFAOYSA-N 374.506 3.895 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cccc(Br)c1 6383714 UCZUBHJHGAKSKQ-GFCCVEGCSA-N 374.234 3.584 0 40 FHAB Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccnc2)n1 5322551 CADJBKLRNCENQB-IBGZPJMESA-N 369.380 3.641 0 40 FHAB Cc1ccc(C(=O)Nc2ccccc2I)cc1F 14182185 NYXQBLZADOZCLN-UHFFFAOYSA-N 355.150 3.991 0 40 FHAB COC(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 4588943 JKDZEWXWWZZBAL-OAHLLOKOSA-N 369.417 3.582 0 40 FHAB COc1ccc2oc(C(=O)NC[C@@H](c3cccs3)N(C)C)c(C)c2c1 6589275 GYFPHXCRPSJORY-HNNXBMFYSA-N 358.463 3.844 0 40 FHAB CCOc1cc(CNC(C)(C)C)cc(Cl)c1OCC(=O)NC(C)(C)C 4657435 JURWXSNGOKZFGL-UHFFFAOYSA-N 370.921 3.920 0 40 FHAB CCn1c(S[C@@H](C)C(=O)Nc2nccs2)nnc1-c1ccccc1 4723708 HOXCYTHLZSEXNU-NSHDSACASA-N 359.480 3.541 0 40 FHAB Sc1nc2ccccc2c2nc(COc3cccc4cccnc34)nn12 6759229 KHLQNIIKUCMHFU-UHFFFAOYSA-N 359.414 3.693 0 40 FHAB CCc1ccc(CN(C)C(=O)CSc2nnc(C3CC3)n2C2CC2)cc1 7550806 GHMMOWBQWJFOTO-UHFFFAOYSA-N 370.522 3.804 0 40 FHAB C[C@H](OC(=O)c1ccccc1OCc1ccc(Cl)cc1Cl)C(N)=O 7792385 FGIHFKUPYFVTSB-JTQLQIEISA-N 368.216 3.603 0 40 FHAB CC(=O)c1ccccc1NC(=O)CCCSc1nnnn1C1CCCC1 16372830 FGVHQFKEPTXKQU-UHFFFAOYSA-N 373.482 3.502 0 40 FHAB Cc1noc(C(C)C)c1C(=O)Nc1ccc(I)cc1 8073947 KUNAKRYGEPXXLM-UHFFFAOYSA-N 370.190 3.963 0 40 FHAB CNC(=O)c1ccc(CN[C@@H]2CCCc3cn(C4CCCC4)nc32)cc1 96002764 NFTNJXSQGLOMMV-LJQANCHMSA-N 352.482 3.525 0 40 FHAB Cc1ccc(C(=O)CCC(=O)OCc2cc(F)cc3c2OCOC3)cc1 16622486 QKNYLFUMAQRHBW-UHFFFAOYSA-N 358.365 3.707 0 40 FHAB CCc1ccccc1NS(=O)(=O)c1cc(OC)c(Cl)cc1OC 8132482 UKNOLROJISHUKS-UHFFFAOYSA-N 355.843 3.720 0 40 FHAB CCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1ccco1 8484737 YRUIGQMVMZICNY-UHFFFAOYSA-N 368.462 3.778 0 40 FHAB Cc1ccc2c(c1)CCCN2CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 8428939 PIAJTHOJPJSKDI-INIZCTEOSA-N 363.461 3.512 0 40 FHAB Cc1ccc(-c2nc(C[S@](=O)[C@H](C)C(=O)NC(C)(C)C)cs2)cc1 71801238 YIMHNESEIZSSNA-YEBMWUKDSA-N 364.536 3.670 0 40 FHAB Cn1ncc2c(NCc3cc4ccccc4[nH]3)nc(-c3cccnc3)nc21 72146172 IYSSQDUJSASSQG-UHFFFAOYSA-N 355.405 3.519 0 40 FHAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Oc3cnn(C)c3)cc12 84068019 KZNPXDZSZWGTCT-UHFFFAOYSA-N 370.409 3.546 0 40 FHAB CCOc1ccccc1O[C@H]1CCC[C@@H]1NC(=O)c1c[nH]c(C(C)C)n1 72304277 FBPUJQCGBLDGML-HOCLYGCPSA-N 357.454 3.662 0 40 FHAB C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)OC(=O)c1ccco1 95431874 DLQGNPAHKXYSSF-RHSMWYFYSA-N 359.422 3.961 0 40 FHAB CCCS(=O)(=O)N1N=C(c2ccco2)C[C@H]1c1ccc(Cl)cc1 89960366 SAWNNSNGKLGIDR-HNNXBMFYSA-N 352.843 3.824 0 40 FHAB O=C(c1cc(F)ccc1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1 21866833 VNJGLCDGRKGWQL-UHFFFAOYSA-N 370.321 3.946 0 40 FHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccc(C)c(C)c1 28189401 YETFIFRKAUZKMF-UHFFFAOYSA-N 371.462 3.842 0 40 FHAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc2c(c1)OCCO2 20140758 YTIYTQPGIGDEHR-UHFFFAOYSA-N 365.385 3.771 0 40 FHAB Cc1cc2c(cc1-c1nc3sc4c(c3c(=O)[nH]1)CCCCC4)OCO2 33653541 PMPWYHLBACHHEG-UHFFFAOYSA-N 354.431 3.958 0 40 FHAB COc1cc(CC(=O)N2CCC[C@H]2c2ccc(C)cc2)cc(OC)c1OC 36620819 VAXUJXUGEWKZBR-SFHVURJKSA-N 369.461 3.927 0 40 FHAB Fc1cc(CN2CCC[C@@H](c3nncn3C3CC3)C2)c2ncccc2c1 152421457 LRPYKWLZJJEERJ-OAHLLOKOSA-N 351.429 3.680 0 40 FHAB Cc1cccnc1Nc1cccc([C@H]2CCCN(Cc3cnn(C)c3)C2)n1 72376052 QWHNHQIQSUUXAV-SFHVURJKSA-N 362.481 3.642 0 40 FHAB COc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c(C)n1 127717396 ZPADSJKQSZMENU-UHFFFAOYSA-N 360.841 3.739 0 40 FHAB Cc1cccc(N[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c1C 36635832 GFXXALHOONKQRI-INIZCTEOSA-N 373.250 3.810 0 40 FHAB CCCSc1nnc(NS(=O)(=O)Cc2cccc(Cl)c2)s1 225312886 WDCUDHQBEKZAAA-UHFFFAOYSA-N 363.917 3.636 0 40 FHAB CCCCOCc1cc(C(=O)NCc2ccc3c(c2)OCO3)ccc1OC 224441789 IEQQOJYPCLMTSN-UHFFFAOYSA-N 371.433 3.671 0 40 FHAB C[C@H]1CN(CCOc2ccc(C(=O)O)cc2Cl)Cc2ccccc2O1 568664140 KAPSNFUZEYGQKI-ZDUSSCGKSA-N 361.825 3.700 0 40 FHAB COc1cc2c(cc1S(=O)(=O)NC[C@@H](C)c1ccccc1)CCCC2 225137164 XRXVZZXXNKHBET-OAHLLOKOSA-N 359.491 3.656 0 40 FHAB C[C@H]1C[C@H](C)CN(CCNC(=O)Cc2ccc(-c3ccccc3)cc2)C1 224979405 IWRPOGDZLVBZHH-OALUTQOASA-N 350.506 3.990 0 40 FHAB O=C(COc1ccccc1)NCCCNc1ccnc2cc(Cl)ccc12 222952047 FFQAIHFMMCOBHX-UHFFFAOYSA-N 369.852 3.885 0 40 FHAB O=S(=O)(Cc1cc(F)ccc1F)N1CCC(c2ccsc2)CC1 75157199 YTYGVKWRIDWTPV-UHFFFAOYSA-N 357.447 3.736 0 40 FHAB O=C1CCCN1Cc1ccccc1CNC(=S)Nc1ccc(Cl)cc1 225651523 WHIGZBHABRGUKR-UHFFFAOYSA-N 373.909 3.949 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)NCc2cccc(CN3CCCC3)c2)cc1C 224626519 NKSSZNRKBABUQB-IBGZPJMESA-N 366.505 3.983 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 223798656 ROWSDVOZEJOWJA-QGZVFWFLSA-N 370.468 3.620 0 40 FHAB CCOC(=O)c1cnc(-c2cccc(N)c2)nc1Nc1ccccc1OC 226103928 ARRVQYWCTYZKPZ-UHFFFAOYSA-N 364.405 3.655 0 40 FHAB CC(C)NC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCCC2)n1 225888275 RDVSWYALUMIWPT-UHFFFAOYSA-N 371.510 3.954 0 40 FHAB O=C(C[C@@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21)N1CCCC1 96053233 GXXTVHAYCDYHED-LJQANCHMSA-N 368.521 3.810 0 40 FHAB CC[C@@H](C)n1ncc(NC(=O)N2CCCN(c3ccccc3)CC2)c1C 581285987 PYFWTZKQHNAOOR-MRXNPFEDSA-N 355.486 3.907 0 40 FHAB O=C(NC[C@H](c1ccco1)N1CCSCC1)c1c(F)cccc1Cl 244975154 IDMZTEJBUMVETA-CQSZACIVSA-N 368.861 3.592 0 40 FHAB Oc1cccc2c1OC1(CCN(Cc3nccs3)CC1)[C@H]1CCCO[C@H]21 257237246 HFSSSDZWSKQNMA-MAUKXSAKSA-N 372.490 3.744 0 40 FHAB COc1cc2c(cc1[C@@H]1OC(C)(C)[C@@H]3C[C@H](O)[C@@H](C)[C@@H]1C3)OCCCO2 257258336 KTJNASLTBHAJMN-KBVVQZGUSA-N 362.466 3.730 0 40 FHAB O=C(N[C@@H]1CCc2ccccc2NC1=O)c1cccc(Oc2ccccn2)c1 1611426472 VFXGXHCQJIQANU-LJQANCHMSA-N 373.412 3.557 0 40 FHAB CCc1cc(C(=O)N2CC3(CCC3)OC[C@H]2C)c2c(C(C)C)noc2n1 617941902 CBJYLGGFNIXISS-CYBMUJFWSA-N 357.454 3.692 0 40 FHAB C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1cc(Cl)nc(Cl)c1 65566572 OYYZSKOZOUTPER-GXFFZTMASA-N 350.249 3.756 0 40 FHAB Cc1c(Cl)cccc1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 11781266 FBUFUOZLIZJJQW-UHFFFAOYSA-N 353.809 3.506 0 40 FHAB Cc1cccc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)c1 12789924 BVODPMMWHRWTFZ-RGEXLXHISA-N 371.400 3.878 0 40 FHAB Cc1cccc(C(=O)Nc2ccc(NC(=S)NC(=O)C(C)C)cc2)c1 14553443 DINWNSYMJRDXAO-UHFFFAOYSA-N 355.463 3.716 0 40 FHAB CC(=O)Nc1ccc2c(COC(=O)C[C@H]3C[C@H]4CC[C@@H]3C4)cc(=O)oc2c1 15186974 XLYVLUBSJMDEFQ-RRFJBIMHSA-N 369.417 3.621 0 40 FHAB COc1ccc(CNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1OC 15335179 VKDKPNWIPGAHPL-HNNXBMFYSA-N 365.429 3.941 0 40 FHAB CCc1cccc(NC(=O)Cc2n[nH]c(=S)n2Cc2ccccc2)c1 16640165 JGUPVOOXBZPRMG-UHFFFAOYSA-N 352.463 3.733 0 40 FHAB COc1cccc(CN2Cc3ccccc3OC3(CCN(C)CC3)C2)c1 19588426 BDJXUTULDJTASH-UHFFFAOYSA-N 352.478 3.554 0 40 FHAB Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc(-c2ccccn2)nc2ccccc12 19666526 IPBUEOMRQZGZND-CQSZACIVSA-N 371.444 3.830 0 40 FHAB CCc1ccccc1NC(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1 35312806 QIIZIJKZVBSISA-UHFFFAOYSA-N 369.440 3.814 0 40 FHAB CN(c1ccc(C(=O)Nc2ccccc2)cc1)S(=O)(=O)c1ccccc1 6226865 XVJYKMPVPUSLCH-UHFFFAOYSA-N 366.442 3.764 0 40 FHAB C[C@@H](NC(=O)NC1CCN(c2ccccn2)CC1)C1CCC(F)(F)CC1 654380619 HEPBRKUKFKQJTP-CQSZACIVSA-N 366.456 3.564 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)c3ccc(OC)c(F)c3)o2)cc1 5192433 JGVLOBZMVIUNFV-UHFFFAOYSA-N 374.393 3.868 0 40 FHAB O=C(CCc1ccccc1Cl)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 9550312 RWGFMEITAVOXIB-SFHVURJKSA-N 370.836 3.566 0 40 FHAB Cc1ccc(Cc2c(F)cccc2Cl)c(CC(=O)OCC(=O)O)c1 2060993162 YKJXLCPKXULKCV-UHFFFAOYSA-N 350.773 3.549 0 40 FHAB CCn1c(=O)c(C(=O)Nc2cc(Cl)ccc2Cl)cc2cccnc21 5304065 RIBBMTUJQCHOBZ-UHFFFAOYSA-N 362.216 3.976 0 40 FHAB COc1cc(NC(=O)c2ccc(F)c(F)c2)ccc1N1CCCCC1=O 5441489 ZRSVDFBBLSCRII-UHFFFAOYSA-N 360.360 3.743 0 40 FHAB O=C(NCCc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 10017082 ZPYVHIDMNYIOSB-UHFFFAOYSA-N 370.758 3.656 0 40 FHAB Cc1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCC(C)CC2)o1 12463241 OJHVJWNQKATUFO-UHFFFAOYSA-N 354.859 3.706 0 40 FHAB CCc1nnc(-c2ccc(NC(=O)C(=O)c3c[nH]c4ccccc34)cc2)o1 12443899 FLWNTZGZHCIZQM-UHFFFAOYSA-N 360.373 3.602 0 40 FHAB CCc1nc2sc([C@H](c3ccccc3F)N3CCCCC3)c(O)n2n1 22853049 GOFNEOJCGXICBU-HNNXBMFYSA-N 360.458 3.773 0 40 FHAB c1ccc(-c2nc(CN3CCC(COc4ncccn4)CC3)cs2)cc1 1775969776 KWALKNBGSSPNFZ-UHFFFAOYSA-N 366.490 3.891 0 40 FHAB CCCCn1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1ccc(Cl)cc1 101113602 MHCDKECLLRHGSX-HAVVHWLPSA-N 370.840 3.916 0 40 FHAB O=C(NCCCNC(=O)c1cc(Cl)cc(Cl)c1)Nc1ccccc1 586471147 AAKPQTWOJJYZAI-UHFFFAOYSA-N 366.248 3.935 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)NC[C@@](O)(c1ccsc1)c1cccs1 244969010 GTUPKSQKCNLVJS-IFXJQAMLSA-N 373.499 3.629 0 40 FHAB COc1ccc(C(=O)CSC2=N[C@H]3Nc4ccccc4[C@@H]3N=N2)cc1 38536845 HPLDVWRPFLMWHS-DLBZAZTESA-N 352.419 3.926 0 40 FHAB CC1=C(c2nc(-c3ccc(C)cc3)no2)[C@H](c2ccco2)NC(=S)N1 24834099 GOKNVEJYPITQQM-HNNXBMFYSA-N 352.419 3.588 0 40 FHAB COC(=O)c1c(NC(=S)NCc2cccs2)sc2c1CCCC2 6288198 OXWVQZGQUOKZJZ-UHFFFAOYSA-N 366.533 3.962 0 40 FHAB C[C@H](C(=O)Nc1ccccc1Cl)n1nc(-c2ccccc2)ccc1=O 20095456 BOLNBCLUIGPUPT-CYBMUJFWSA-N 353.809 3.763 0 40 FHAB Cc1c(C)c2ccc3c(c2oc1=O)CN(CCc1ccc(F)cc1)CO3 20403825 YLNOALUODOUFGO-UHFFFAOYSA-N 353.393 3.944 0 40 FHAB CCC[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2ON1c1ccccc1 100891036 YQUPYKFFHHVBLL-SQNIBIBYSA-N 370.836 3.819 0 40 FHAB Cc1c(C(=O)N[C@@H](C)c2ccc(F)cc2)nnn1-c1ccc(Cl)cc1 51318135 QQXYOXMBGGESNH-NSHDSACASA-N 358.804 3.859 0 40 FHAB CSc1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1 51319659 FPVAHWFZEVSIPG-UHFFFAOYSA-N 366.490 3.781 0 40 FHAB CCc1cccc(-n2ncc3c2N=C(O)C[C@@]32C(=O)Nc3ccccc32)c1 20744741 WHNPJZXFBTUXEF-NRFANRHFSA-N 358.401 3.665 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)CCNC(=O)c1ccccc1Cl 2633653 VKEZZAYZGNXRBM-OAHLLOKOSA-N 358.869 3.597 0 40 FHAB CC(C)(C)NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 918389 SOJTWVFECLBLEK-CABZTGNLSA-N 356.348 3.665 0 40 FHAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccccc2)n1CCc1ccccc1 923697 RRHHOAZVGRYULZ-HNNXBMFYSA-N 366.490 3.949 0 40 FHAB Cc1cc2oc(=O)cc(COC(=O)c3ccccc3-n3cccn3)c2cc1C 32933308 HNQFUHXKIRCZDR-UHFFFAOYSA-N 374.396 3.953 0 40 FHAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(C)ccc2C)cc1 6880281 VOOQKDRWBJAVDY-UHFFFAOYSA-N 374.506 3.563 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc(C(F)(F)F)cc1 6905814 ICSUVVBRBNQNSG-UHFFFAOYSA-N 367.323 3.934 0 40 FHAB CCOc1ccc(S(=O)(=O)NCCSCc2ccccc2C)cc1 6963593 LGSZIMHCPRDBQT-UHFFFAOYSA-N 365.520 3.605 0 40 FHAB Cc1ccc(-n2cccc2/C=c2\sc3nc4ccccc4n3c2=O)cc1 107140105 WHSUHWPXLLQUFI-UYRXBGFRSA-N 357.438 3.556 0 40 FHAB COC(=O)[C@H]1[C@@H]2C=C[C@H](C2=C(c2ccccc2)c2ccccc2)[C@@H]1C(=O)OC 104129617 AZIKIWQXQHLYQD-UBBRYJJRSA-N 374.436 3.883 0 40 FHAB CN(Cc1ccccc1)C(=O)c1cccc(I)c1 2773366 INYPUCDYEWDTNQ-UHFFFAOYSA-N 351.187 3.563 0 40 FHAB C[C@@H]1CCCN(CCNC(=O)c2cc(Br)ccc2Cl)C1 46877827 JSBVADNWWUVIAU-LLVKDONJSA-N 359.695 3.564 0 40 FHAB CCc1n[nH]c(=S)n1NCc1ccccc1OCc1ccc(F)cc1 8339422 IUZYGAMGFRKTQI-UHFFFAOYSA-N 358.442 3.965 0 40 FHAB CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2)CC1 100750195 JRDPLIJOZOLNLR-ZRCGQRJVSA-N 365.521 3.850 0 40 FHAB O=C(Nc1nccs1)c1cc(O)c(OCc2ccc(Cl)cc2)cn1 61719528 ZBMFGZGTXDEFRZ-UHFFFAOYSA-N 361.810 3.728 0 40 FHAB O=C1C[C@H](c2ccsc2)c2c(c(C(=O)O)cn2-c2ccccc2F)N1 61719242 IDOORROSOPMUBD-LLVKDONJSA-N 356.378 3.850 0 40 FHAB C[C@@H](NC(=O)CCc1cnn(-c2ccccc2)c1)c1nc2ccccc2[nH]1 12547922 DCHJKCSDQUWVDU-OAHLLOKOSA-N 359.433 3.559 0 40 FHAB O=C(c1ccc(-c2cnco2)cc1)N1CCCN(Cc2ccccc2)CC1 47816715 QNEZMGILPVEHAM-UHFFFAOYSA-N 361.445 3.690 0 40 FHAB Cc1ccc(N[C@H]2CC(=O)N(c3ccccc3Br)C2=O)cc1 101276863 IXGJHQOZAFOQKQ-AWEZNQCLSA-N 359.223 3.502 0 40 FHAB CC[C@H](C)c1ccccc1NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 3281040 NBXCXGBOAUQXLQ-DBWCEAHUSA-N 371.481 3.639 0 40 FHAB COc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccccc4)nc3C2)cc1 1218718 SYGLGOVSSUAHRP-INIZCTEOSA-N 373.412 3.650 0 40 FHAB COc1cccc(-c2nc(C(=O)NOCc3ccccc3)cs2)c1OC 25039766 XAKFKNRNGORKQE-UHFFFAOYSA-N 370.430 3.689 0 40 FHAB COc1cccc(C(=O)Nc2ccc(Br)cc2F)c1OC 20019362 HVLFGZKAEZORJG-UHFFFAOYSA-N 354.175 3.858 0 40 FHAB Cc1onc(-c2ccccc2)c1C(=O)N1CCCC[C@@H](N2CCCC2)C1 107524871 LSFODRWZGLYPQA-GOSISDBHSA-N 353.466 3.741 0 40 FHAB CN(C)C(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1 3359410 ONQRYSLWXDXCLF-UHFFFAOYSA-N 364.540 3.616 0 40 FHAB CCNC(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1 3337881 NYFSAWHIMNRNDT-UHFFFAOYSA-N 362.474 3.818 0 40 FHAB COc1ccc(-c2csc(NC(=O)COc3ccc(F)cc3)n2)cc1 3350025 IYYFBONUMLZNFP-UHFFFAOYSA-N 358.394 3.975 0 40 FHAB O=S(=O)(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cccs1 3398370 LOJVRWWMSWZHDG-UHFFFAOYSA-N 374.491 3.534 0 40 FHAB CCSc1ncc(Br)c(C(=O)Nc2cccc(C)c2)n1 27743740 YRDVTBYGCMIVET-UHFFFAOYSA-N 352.257 3.912 0 40 FHAB Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2ccc3c(c2)OCCO3)cc1 173479009 KXEDIXJTMLVMAZ-RXVVDRJESA-N 367.445 3.664 0 40 FHAB CC(C)C[C@H](NC(=O)CSc1nc2cc(Cl)ccc2s1)C(=O)O 12793190 IXQNUQBHZPYMLC-NSHDSACASA-N 372.899 3.657 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(NC(=O)C3CC3)cc2)cc1F 10842354 ZEINPGTWETZCAS-CYBMUJFWSA-N 355.413 3.922 0 40 FHAB C[C@@H](NC(=O)CCC(=O)c1ccc(F)cc1F)c1nc2ccccc2[nH]1 48386322 QKPGKIUHCOYOBK-LLVKDONJSA-N 357.360 3.681 0 40 FHAB C[C@@H](CNC(=O)Nc1ccn(Cc2ccccc2)n1)N(C)c1ccccc1 48342357 PKFUVEQMHHZHMZ-KRWDZBQOSA-N 363.465 3.578 0 40 FHAB CCN(c1ccc(C(=O)Nc2c(C)cccc2C)cc1)S(=O)(=O)CC 113964027 GPFGFLXNYOVSQK-UHFFFAOYSA-N 360.479 3.732 0 40 FHAB Cn1nc(C(=O)Oc2ccc3oc4c(c3c2)CCCC4)c2ccccc2c1=O 3417038 OIYNOZRFSZXGNT-UHFFFAOYSA-N 374.396 3.778 0 40 FHAB COc1ccc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)c(OC)c1 12926090 OAGAXANZOMPGPJ-HNNXBMFYSA-N 357.406 3.514 0 40 FHAB COC(=O)c1cc(C)sc1NC(=O)c1ccc(Cc2c(C)noc2C)o1 13641005 KRBFVEIXCZWFEP-UHFFFAOYSA-N 374.418 3.884 0 40 FHAB CCC1CCC(NC(=O)C(=O)Nc2ccc(Br)c(C)c2)CC1 408709759 WQMCRQXJYKQUJH-UHFFFAOYSA-N 367.287 3.781 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2C)C1 4385217 BDOYUCSIHQBWCI-AWEZNQCLSA-N 372.852 3.957 0 40 FHAB COc1cc(NC(=O)c2ccccc2C(F)(F)F)cc(OC)c1OC 6213323 MAVWRAFGSXGGFC-UHFFFAOYSA-N 355.312 3.984 0 40 FHAB C[C@H](NC(=O)c1cccc(Br)c1)c1ccc(-n2cncn2)cc1 5245810 QXLJJAOBJDGVLS-LBPRGKRZSA-N 371.238 3.521 0 40 FHAB O=C1c2ccccc2C(=O)N1CCSc1nnc(C2CCCCC2)o1 6374261 SEOMCPWACOVLOD-UHFFFAOYSA-N 357.435 3.506 0 40 FHAB CN(CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCCc2ccccc21 14017074 LYMSNBNHDITCHJ-INIZCTEOSA-N 374.387 3.956 0 40 FHAB CC(C)(C)c1ccc(O)c(NC(=O)Cn2ccc(=O)c3ccccc32)c1 65593827 KFAPAZXQYQCZLB-UHFFFAOYSA-N 350.418 3.643 0 40 FHAB CCc1ccc(S(=O)(=O)N2CC=C(c3ccc(OC)cc3)CC2)cc1 65589940 DZWLGDBVNJJUKK-UHFFFAOYSA-N 357.475 3.736 0 40 FHAB Cc1cc(C)cc(-n2nnnc2SCc2nc(-c3cccs3)no2)c1 14199960 AJRPFRYFHKCTLH-UHFFFAOYSA-N 370.463 3.683 0 40 FHAB CN(C)Cc1ccc(CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 14169211 LHHFSWQBNGPSKN-UHFFFAOYSA-N 374.488 3.741 0 40 FHAB O=C(Nc1cccc(F)c1)/C(=C\c1ccco1)NC(=O)c1ccsc1 4537800 XZIAADWPGSPNDZ-MHWRWJLKSA-N 356.378 3.890 0 40 FHAB CCc1cccc2c(C(=O)CSc3nc4ccccc4c(=O)[nH]3)c[nH]c12 4643716 NEVJPNNRWVDUHA-UHFFFAOYSA-N 363.442 3.942 0 40 FHAB CCCCCNC(=O)c1cc2ccc(O)cc2o/c1=N\Nc1ccccc1 4679447 JMMXZUVSKMGXNP-FLFQWRMESA-N 365.433 3.986 0 40 FHAB CC(C)NC(=O)N(O)[C@@H]1N(Cc2ccc(F)cc2)C(=S)SC1(C)C 4732533 AJVCNRIXBHYOBH-ZDUSSCGKSA-N 371.503 3.573 0 40 FHAB CCOc1ccc(-c2nonc2NC(=O)COc2ccccc2Cl)cc1 8917157 OGTYXHWGBRMEQP-UHFFFAOYSA-N 373.796 3.806 0 40 FHAB CCc1nc2ccccc2c(C(=O)OCC(=O)N2CCC[C@@H](C)C2)c1C 4977841 XXYHFTUUMUGCOQ-CQSZACIVSA-N 354.450 3.521 0 40 FHAB Brc1ccccc1-c1nn2c(-c3cccnc3)nnc2s1 4938759 GRBLZWARLQVGJE-UHFFFAOYSA-N 358.224 3.677 0 40 FHAB C[C@@H](OC(=O)c1ccc2nc(N)sc2c1)C(=O)c1c[nH]c2ccccc12 7057191 NGBKXHVDDQSXSW-SNVBAGLBSA-N 365.414 3.788 0 40 FHAB CCN(CC)C(=O)c1cccc(NC(=O)CN2c3ccccc3C[C@H]2C)c1 7114963 GUJFSJOXSRRQLS-MRXNPFEDSA-N 365.477 3.558 0 40 FHAB CCSc1nnc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)s1 9044824 GLCOFYVZYBCEQK-UHFFFAOYSA-N 367.839 3.662 0 40 FHAB CCC(CC)NC(=O)CSc1cc(C(=O)NC2CC2)c2ccccc2n1 9113508 SMSYBMHSKNAAFB-UHFFFAOYSA-N 371.506 3.524 0 40 FHAB Cc1cccc(NC(=O)CN(C)CC(=O)N(C(C)C)C2CCCCC2)c1C 7455046 WYENBDBHRVYYQM-UHFFFAOYSA-N 373.541 3.743 0 40 FHAB COc1ccc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)cc1OC 7415386 DPWYOBWPZCSVAP-UHFFFAOYSA-N 374.780 3.764 0 40 FHAB COc1ccc(C(=O)NCc2csc(-c3ccc(OC)cc3)n2)cc1 15832636 KDZHAWNSBKDDOR-UHFFFAOYSA-N 354.431 3.757 0 40 FHAB C[C@@H](Sc1nnc2n(C)c(=O)c3ccccc3n12)c1ccc(F)cc1 9157516 OQXSSNMKPZKXPD-LLVKDONJSA-N 354.410 3.574 0 40 FHAB CC(C)(C)OC(=O)N1CCC(C(=O)OCc2nc3ccccc3o2)CC1 7805490 KYDNVROXEBHARJ-UHFFFAOYSA-N 360.410 3.518 0 40 FHAB CC(=O)N[C@@H]1C(=O)N(CCOc2ccc(C(C)(C)C)cc2)c2ccccc21 8047411 HFRCTRJKMAITGU-FQEVSTJZSA-N 366.461 3.587 0 40 FHAB CNC(=O)c1cccc(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c1 8338508 PPGLPMHBGSMPSD-AWEZNQCLSA-N 362.429 3.950 0 40 FHAB Brc1cc2c(cc1COc1ncnc3sccc13)OCO2 9218913 KZWZIGRYBOAVFE-UHFFFAOYSA-N 365.208 3.762 0 40 FHAB CC(=O)Nc1ccc(CC(=O)O[C@@H](C)C(=O)c2ccc(C)c(C)c2)cc1 17119411 DHVPMSMITWMYPK-HNNXBMFYSA-N 353.418 3.619 0 40 FHAB Cc1ccc2c(=O)cc(C(=O)/N=c3/[nH]c4ccc(F)cc4s3)oc2c1 9319167 XWGSOWIKUHNBJZ-UHFFFAOYSA-N 354.362 3.524 0 40 FHAB COC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)c3cccc4cccc2c34)cc1 408548180 QGPQVUUMIHPNEG-CYBMUJFWSA-N 374.396 3.614 0 40 FHAB Cc1ccc2cccc(NC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)c2n1 95400123 MAAIXTZDOPCKOX-OAHLLOKOSA-N 355.438 3.739 0 40 FHAB C[C@H](C(=O)NC1CCN(c2cc(-c3ccccc3)n[nH]2)CC1)c1ccccc1 98212928 MDLIBUAOAFIPSQ-KRWDZBQOSA-N 374.488 3.965 0 40 FHAB CCOc1ccccc1OCCCC(=O)N[C@@H](CCO)c1cccs1 89272158 GNKKHIOBJLZXOL-HNNXBMFYSA-N 363.479 3.546 0 40 FHAB Cc1nc2c3ccccc3nc(N3CCSC[C@@H]3c3ccccc3)n2n1 75103474 NKPBABZUOLYFIL-GOSISDBHSA-N 361.474 3.880 0 40 FHAB Cc1cc(C(=O)NCCCOc2cccc3cccnc23)sc1C=O 75107667 JYYVLKGNWCGRCY-UHFFFAOYSA-N 354.431 3.616 0 40 FHAB CCCC1(CCC)NC(=O)N(Cc2ncc(-c3ccc(F)cc3)o2)C1=O 22240193 NQMZVBLGTPRRNQ-UHFFFAOYSA-N 359.401 3.872 0 40 FHAB CC1=C(NC(=O)c2cc(CC(C)C)on2)[C@H](C)NN1Cc1ccccc1C 20418474 QROHINXLCWIPJW-HNNXBMFYSA-N 368.481 3.552 0 40 FHAB O=C1c2cccn2[C@@H]2CN(Cc3ccsc3)C[C@H]2N1Cc1cccs1 306143884 YPPCMBWZNMQADV-QZTJIDSGSA-N 369.515 3.693 0 40 FHAB Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C[C@@H](C)NC(=O)C2CCCC2)o1 173576916 GBNGKCPHADYFIR-RKVPGOIHSA-N 360.498 3.973 0 40 FHAB CC(C)c1nnc2n1CCN(C(=O)c1ccc(Cl)c3ncccc13)[C@@H]2C 512704481 OZCSHWSIYITMDB-GFCCVEGCSA-N 369.856 3.820 0 40 FHAB COc1ccc(CNC(=O)N2CCC[C@H]2c2nc3ccccc3n2C)cc1 524734056 RMLCYBUEEZDUPS-IBGZPJMESA-N 364.449 3.629 0 40 FHAB COCCCN1C(=O)S/C(=C/c2ccc(Br)s2)C1=O 409236405 FWGRCUBRWYADPA-VQHVLOKHSA-N 362.270 3.583 0 40 FHAB Cc1cc(I)ccc1-c1ccc(/C=C/C(=O)O)o1 216769053 PBFRQEIVBVRVTK-QPJJXVBHSA-N 354.143 3.957 0 40 FHAB CC(C)c1nccn1-c1nccnc1[C@@H]1CCCN(Cc2ccccn2)C1 72350569 JJNUQKMQKMDWHM-QGZVFWFLSA-N 362.481 3.560 0 40 FHAB CCCC(=O)Nc1cc(-c2nc(-c3ccc(OC)cc3)cs2)nn1C 35683157 DPUNQYSZFIKOCK-UHFFFAOYSA-N 356.451 3.958 0 40 FHAB O=C(CN1C(=O)S/C(=C/C=C\c2ccccc2)C1=O)Nc1ccccc1 210806410 HFTFBMMYYZFFDI-SLFJUGRTSA-N 364.426 3.918 0 40 FHAB Cc1nc(O)nc(C)c1CCC(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 328660652 VSOMQPRUDGWALN-RTBURBONSA-N 363.461 3.579 0 40 FHAB COc1ccc(CCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 225318294 WVOJMJSEMORPTG-UHFFFAOYSA-N 368.477 3.740 0 40 FHAB C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 42646017 VFHBSUSWQDQPGV-LLVKDONJSA-N 351.233 3.852 0 40 FHAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cnn(C)c1C)SCC(O)=N2 49549465 LAISODOFNFIEIC-QGZVFWFLSA-N 353.451 3.647 0 40 FHAB Cc1ccc(CNC(=S)Nc2nc(Cl)cc(N3CCCCC3)n2)o1 225916646 CLMLSADTQQRRRN-UHFFFAOYSA-N 365.890 3.508 0 40 FHAB Cc1nc(C(=O)N2CCC[C@H](Cc3nc(-c4ccsc4)no3)C2)cs1 220893861 QHTRHRLSSMBREP-GFCCVEGCSA-N 374.491 3.658 0 40 FHAB CN(C)C(=O)c1ccc(NC(=S)NC2(c3ccncc3)CCCC2)cc1 225871541 OOJWBZSDPGQWAV-UHFFFAOYSA-N 368.506 3.539 0 40 FHAB COc1cc(C)c(C(=O)NC[C@@H]2COc3ccccc3O2)cc1C(C)C 225284328 OQXDEVBNBKFVNV-OAHLLOKOSA-N 355.434 3.697 0 40 FHAB CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1 224613719 JVMLBKHXWQBYEO-MRXNPFEDSA-N 372.896 3.824 0 40 FHAB C[C@H]1CCCN(c2cc(C(=O)N[C@H]3CCOc4ccccc43)ccn2)C1 332891404 JGJYIBPGDFZWAM-YJBOKZPZSA-N 351.450 3.572 0 40 FHAB COC[C@@H]1CN(C(=O)C[C@H]2C=CCC2)Cc2cnn(CC3CCCC3)c21 96198441 OKOMYTZQZCVYIM-LPHOPBHVSA-N 357.498 3.502 0 40 FHAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1 96583578 QNKKLXRPFSDXQK-SFQUDFHCSA-N 366.442 3.924 0 40 FHAB CCOC(=O)COc1ccc2cc(-c3cc(F)cc(F)c3)c(=O)oc2c1 96125534 JGXVKEBBUGJESC-UHFFFAOYSA-N 360.312 3.680 0 40 FHAB Cc1ccc2sc(C(=O)N3CC[C@@H](C(=O)N4CCCC4)C3)c(C)c2c1 585082825 PHIZZYPGOZNLRZ-OAHLLOKOSA-N 356.491 3.603 0 40 FHAB CCN1C(=O)CC[C@@H](C(=O)NCc2ccccc2F)[C@@H]1c1ccc(C)cc1 257339397 ZBMYSUDUMZOXTH-NQIIRXRSSA-N 368.452 3.750 0 40 FHAB O=C(c1cccc(C(F)(F)F)c1O)N1CCO[C@H](C2CCCCC2)C1 622509423 CRVORUWSJSSCNI-HNNXBMFYSA-N 357.372 3.832 0 40 FHAB COc1nccc2c(NC(=O)N3CCCC[C@H]3c3nc(C)no3)cccc12 640259434 RKCIIMGVDISFOV-INIZCTEOSA-N 367.409 3.694 0 40 FHAB Cc1cc(C(=O)N[C@@H](CCO)C2CCCCC2)c(C)n1CC(F)(F)F 677438812 ZQHHHDYQDQGYBN-INIZCTEOSA-N 360.420 3.728 0 40 FHAB O=C(c1cccc2ccccc12)N1CCCN(C2CCSCC2)CC1 575615970 KGQDLLDQUJRAKZ-UHFFFAOYSA-N 354.519 3.883 0 40 FHAB Cc1ccccc1C(=O)N(c1ccc(Cl)cc1)[C@H]1C=CS(=O)(=O)C1 5070552 HIOXQMOZGUDJQF-INIZCTEOSA-N 361.850 3.606 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1N1CCCC1=O 5329563 IWKGCGXAVBYTHG-UHFFFAOYSA-N 364.854 3.576 0 40 FHAB CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(OC(F)F)cc2)CC1 12785172 GLZNEKKMGSHNMR-UHFFFAOYSA-N 370.396 3.874 0 40 FHAB COc1ccc2cc(C(=O)N3c4ccc(F)cc4CC[C@H]3C)c(=O)oc2c1 16779312 BVCZYBHDBHAWQV-GFCCVEGCSA-N 367.376 3.922 0 40 FHAB CC(C)c1cc(C(=O)N2CCC[C@H](c3nnc(-c4ccsc4)o3)C2)on1 19452886 SPWLOULCBBGPBK-LBPRGKRZSA-N 372.450 3.929 0 40 FHAB CCOc1ccccc1-c1ccccc1NC(=O)[C@H]1CC(=O)N(C(C)C)C1 19659546 ONOZTZCCAGKSTC-INIZCTEOSA-N 366.461 3.948 0 40 FHAB COc1ccc2o/c(=N\c3cccc(Cl)c3)c(C(=O)NC(C)=O)cc2c1 4603699 LJPGXMWPCWNXGV-QOCHGBHMSA-N 370.792 3.604 0 40 FHAB CCCCNC(=O)CSc1nnc(CCc2ccccc2)n1CC(C)C 6648529 DACCHVDZZCWVMC-UHFFFAOYSA-N 374.554 3.728 0 40 FHAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCN(c2ccccc2)CC1 6610534 URJXJEPYUQRQGZ-UHFFFAOYSA-N 372.472 3.712 0 40 FHAB CCCCOC(=O)COC(=O)c1cccc(NC(=O)c2cccs2)c1 16288465 IUCBWPQDNQWFBB-UHFFFAOYSA-N 361.419 3.501 0 40 FHAB Cc1cnc(NC(=O)CSc2nccn2-c2cccc(C)c2C)s1 24764580 POWFSRUXIQTVQL-UHFFFAOYSA-N 358.492 3.985 0 40 FHAB COc1ccc(C(=O)N2CC[C@@H](c3noc(-c4ccccc4)n3)C2)cc1F 238875987 OBARIRLXNIBCBK-OAHLLOKOSA-N 367.380 3.514 0 40 FHAB O=C(c1ccc2ncsc2c1)N1CC[C@@H](c2noc(-c3ccco3)n2)C1 244950786 FLQCSTCRDBQFPN-GFCCVEGCSA-N 366.402 3.569 0 40 FHAB Cc1cccc(-n2c(S)nnc2CNC(=O)c2cccc3ccccc23)c1 4059252 KZRTVULTYXXHPX-UHFFFAOYSA-N 374.469 3.948 0 40 FHAB CCn1cc(C(=O)Nc2ccc(C)c(Cl)c2)c(=O)c2ccc(C)nc21 15415346 PDCZGWVOPFEOAA-UHFFFAOYSA-N 355.825 3.939 0 40 FHAB CCC(=O)N1CCCc2cc(NC(=O)Cc3ccc(OC)cc3)ccc21 17248046 UCNMINDDJJTQRI-UHFFFAOYSA-N 352.434 3.566 0 40 FHAB Cc1csc(CN2CCN(C(=O)c3cccc4ccccc34)CC2)n1 21687224 DUNLATCAURMSLD-UHFFFAOYSA-N 351.475 3.563 0 40 FHAB COC(=O)c1ccc(-c2csc(NC(=O)Cc3cccs3)n2)cc1 22673003 KWGKDJUYWQOTAZ-UHFFFAOYSA-N 358.444 3.839 0 40 FHAB Fc1ccc(F)c(CN2CCC(Oc3nccc(C(F)(F)F)n3)CC2)c1 1775975644 LNVGIPPCGCBMSI-UHFFFAOYSA-N 373.325 3.817 0 40 FHAB COc1cccc(C(=O)[C@@H]2C(=O)N(c3ccccc3)N=C2c2ccccc2)c1 101348438 FYYJVSHGYOETPS-HXUWFJFHSA-N 370.408 3.945 0 40 FHAB Cc1ccc([C@@H](O)CNC(=O)c2c(-c3ccccc3Cl)noc2C)o1 49026843 UOYHPNHOIXSJHD-AWEZNQCLSA-N 360.797 3.668 0 40 FHAB O=C(Nc1cccc2cccnc12)c1cc(-c2ccc3c(c2)OCCO3)on1 32624233 ALQTZIAXDCILPR-UHFFFAOYSA-N 373.368 3.913 0 40 FHAB C[C@@H](Sc1nc2ccccc2c(=O)n1CCCO)c1ccc(F)cc1 21280500 IGBXUIIUNLHAHU-CYBMUJFWSA-N 358.438 3.771 0 40 FHAB COc1ccc(NCC(=O)Nc2ccc(F)c(F)c2)cc1OC(F)F 32770328 KEHRCFJPLVXPBW-UHFFFAOYSA-N 358.291 3.625 0 40 FHAB CC(=O)Nc1c(C)cccc1C(=O)O[C@H](C)C(=O)NCCC1=CCCCC1 11812166 UIRRQZNOPWPFIW-OAHLLOKOSA-N 372.465 3.505 0 40 FHAB O=C1N[C@@](c2ccccc2)(C(F)(F)F)C(=O)N1Cc1ccc(Cl)cc1 60361675 LNYPTVNFTZHCCX-MRXNPFEDSA-N 368.742 3.850 0 40 FHAB Cc1nc(SCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c2ccccc2n1 102325789 WMVCCAKABNTHHY-DYWXZXKOSA-N 355.507 3.971 0 40 FHAB Cc1ccsc1CN(C)[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 32851013 FMAJWQYJISAQBX-ZDUSSCGKSA-N 354.483 3.760 0 40 FHAB Cc1ccc(OCCC(=O)NCc2cnn(Cc3ccccc3)c2)cc1C 46701051 NJNKOFFECPAHJH-UHFFFAOYSA-N 363.461 3.634 0 40 FHAB COc1ccc(NC(=O)c2ccc(F)cc2F)cc1N1CCCCC1=O 32924849 CSVHXKWSUWTAJA-UHFFFAOYSA-N 360.360 3.743 0 40 FHAB Cc1ccc(C)c(SCC(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1 4925557 FSPFEXCXFMQEGV-BHYGNILZSA-N 363.523 3.880 0 40 FHAB Cc1ccc(C(=O)C2CCN(C(=S)NCCCOC(C)C)CC2)cc1 4966947 KZKFSRNKSCJZIR-UHFFFAOYSA-N 362.539 3.579 0 40 FHAB COc1ccc(OC)c(NC(=O)COc2ccc(Cl)c3cccnc23)c1 7612333 JITWCXIFFXCPBH-UHFFFAOYSA-N 372.808 3.923 0 40 FHAB Cc1ccc(-c2noc(CCC(=O)NCc3ccccc3Cl)n2)cc1 7952333 WGJFSUQPAYRYGA-UHFFFAOYSA-N 355.825 3.947 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1OC 8478742 GFLZQIHOXFFDBB-OAHLLOKOSA-N 370.449 3.631 0 40 FHAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1(C)C 22186374 UVSPMORNQVUPDX-RTBURBONSA-N 354.494 3.646 0 40 FHAB CC1CCN(C[C@@H]2CCCN(C(=O)Nc3cnc(C(C)(C)C)nc3)C2)CC1 103237262 QRBNZJKSCUZHAC-KRWDZBQOSA-N 373.545 3.750 0 40 FHAB Cc1cccc(COc2ccccc2/C=C2/C(=O)N(C)C(=S)N2C)c1 661315 DFXBQIUEPBFLHF-ATVHPVEESA-N 352.459 3.604 0 40 FHAB Cc1cc(-c2ccccc2)nc(SCC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)n1 100413293 SFWBPEWXVHNEQZ-KYJSFNMBSA-N 353.491 3.849 0 40 FHAB O=C(c1cc2ccccc2oc1=O)N1CCc2[nH]c3ccc(F)cc3c2C1 25529617 ZMJLKMPXJIYIKI-UHFFFAOYSA-N 362.360 3.612 0 40 FHAB CCc1cccc(NC(=O)CSc2nncn2-c2ccc(C)cc2)c1 24837415 VEBJZVQKQOKJBI-UHFFFAOYSA-N 352.463 3.869 0 40 FHAB C[C@H](NC(=O)CC[C@H]1CCCO1)c1cccc(OCc2ccccn2)c1 55647781 AJSLXDIITNNFIN-QFBILLFUSA-N 354.450 3.797 0 40 FHAB Cc1ccc(S(=O)(=O)c2cc(-c3ccc(Cl)cc3)c[nH]c2=O)cc1 1403027 MDDFOBIXWATYNN-UHFFFAOYSA-N 359.834 3.837 0 40 FHAB COC(=O)c1c(C)nsc1NC(=O)N1CCC[C@H]1c1cccc(F)c1 56344707 CUKDKCLFLNYFSY-ZDUSSCGKSA-N 363.414 3.746 0 40 FHAB Cc1ccc(-c2nnc(CN(C)[C@H](C)c3ccc(-n4cncn4)cc3)o2)cc1 25926530 ILVRWGSBMBUNEN-MRXNPFEDSA-N 374.448 3.819 0 40 FHAB COCCOc1ccccc1NC(=O)c1ccn(-c2cccc(Cl)c2)n1 57273782 NMEZLTWFEYWFIJ-UHFFFAOYSA-N 371.824 3.803 0 40 FHAB CC1(C)CC(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)CC(C)(C)N1 57799096 NAPLUWKXHNOBLK-UHFFFAOYSA-N 360.889 3.769 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCN(C2CCOCC2)CC1 59916434 MQDZCGAVIJSOKC-UHFFFAOYSA-N 372.296 3.758 0 40 FHAB COc1ccccc1C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 12654942 SHBZKDINKXEJNY-UHFFFAOYSA-N 357.797 3.671 0 40 FHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccn(CCc2ccncc2)n1 58179997 YQHKHOZNMZHISE-CQSZACIVSA-N 370.840 3.580 0 40 FHAB Cc1sc(-n2cnnn2)c(C(=O)Nc2ccc(Cl)c(Cl)c2)c1C 44892914 ZHOAOYITRLDDIJ-UHFFFAOYSA-N 368.249 3.900 0 40 FHAB CCn1cc(C(=O)NCCC(C)C)c(=O)c2cc(C(F)(F)F)ccc21 22236942 UGKMXWKPIDOGPA-UHFFFAOYSA-N 354.372 3.816 0 40 FHAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)CN2C(=O)N1c1ccc(Cl)cc1 2139889 DJKVXAJPMVXLKV-KRWDZBQOSA-N 351.793 3.715 0 40 FHAB biogenic,in-vitro Cc1cc(NC(=O)COC(=O)c2oc3c(ccc4ccccc43)c2C)no1 3361229 CZMQOSQBCBHKEU-UHFFFAOYSA-N 364.357 3.986 0 40 FHAB COc1cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)ccc1OC(F)F 3338083 KIFZEUSOEJGRLE-NTEUORMPSA-N 359.328 3.950 0 40 FHAB C[C@@H]1CCc2ccccc2N1C(=O)CSc1nncn1-c1ccccc1 10552201 HYUZODDWZZVMHC-OAHLLOKOSA-N 364.474 3.727 0 40 FHAB COc1cccc(NC(=O)c2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)c1 28287001 UGCXYVKDRYRAFP-LBPRGKRZSA-N 350.374 3.926 0 40 FHAB COc1ccc(NC(=O)c2ccc(COC(=O)c3cc(C)no3)cc2)cc1 11117885 SXQFHMPAIKHELV-UHFFFAOYSA-N 366.373 3.601 0 40 FHAB C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccco1)c1cc2ccccc2o1 45873393 GGXONOCKBPHKFH-DZGCQCFKSA-N 352.390 3.508 0 40 FHAB O=C(NCCCN1CCc2ccccc2C1)N1CC[C@@H](c2ccccc2)C1 69878268 LKQDIWQNXVMDDF-JOCHJYFZSA-N 363.505 3.634 0 40 FHAB CNC(=O)c1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1 8722971 FDTZHOVMQRMFGS-UHFFFAOYSA-N 360.413 3.731 0 40 FHAB O=C(NC1CCCCC1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 69352811 HEUQIJJPUGOSJR-LBPRGKRZSA-N 354.372 3.507 0 40 FHAB CCN(CC)CCNC(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 14093106 GUBAAAHOYUBNFY-UHFFFAOYSA-N 370.522 3.526 0 40 FHAB CS(=O)(=O)NCCc1ccc(-c2csc(-c3cccs3)n2)s1 14103056 UVJDVPVOSMLNIZ-UHFFFAOYSA-N 370.546 3.692 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)CN[C@@H](C)c1cc(C)ccc1C 14185019 LIRSYJYULPUVOB-HNNXBMFYSA-N 369.465 3.560 0 40 FHAB C[C@@H](Sc1nnc(-c2ccco2)n1C)C(=O)Nc1ccc2c(c1)CCC2 14137256 QQMJJUDYZNUSPV-GFCCVEGCSA-N 368.462 3.683 0 40 FHAB CCOC(=O)c1c(NC(=O)c2cc(CC)on2)sc(C(=O)CC)c1C 20191927 PYSHGHVUVYLALX-UHFFFAOYSA-N 364.423 3.629 0 40 FHAB CCCN1C(=O)[C@@](O)(CC(=O)c2c(C)cc(C)cc2C)c2ccccc21 4554673 GZAZKAVWQOZIAU-JOCHJYFZSA-N 351.446 3.829 0 40 FHAB Cc1ccccc1CSc1nc(NC(=O)c2ccc(Cl)nc2)n[nH]1 6504707 PCNCAVMTYZHPBJ-UHFFFAOYSA-N 359.842 3.706 0 40 FHAB O=C(NC[C@H]1CCCO1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 6589915 HMOXVFYTUWKDKJ-MRXNPFEDSA-N 367.474 3.764 0 40 FHAB CCCc1cc(=O)oc2cc(OC(=O)c3cc(OC)cc(OC)c3)ccc12 6649763 XNCIVXBGJJIOIU-UHFFFAOYSA-N 368.385 3.982 0 40 FHAB O=C(CN1CCCc2ccccc21)Nc1ccc(Br)cc1F 5688874 ZLAZPLCERZNWLY-UHFFFAOYSA-N 363.230 3.980 0 40 FHAB Cc1cc(C(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)s1 6979885 MTSFQURKJDQOCF-UHFFFAOYSA-N 374.481 3.816 0 40 FHAB Brc1cccc([C@@H]2C[C@@H](c3cccnc3)Nc3ncnn32)c1 6920139 WCUNNUMUSDOESG-GJZGRUSLSA-N 356.227 3.582 0 40 FHAB CC(C)C[C@@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccccc1 7123661 NOYLTQBTFLPHPU-MRXNPFEDSA-N 366.383 3.771 0 40 FHAB CCOc1ccc(/C=C/C(=O)OCc2nnc(-c3ccccc3)o2)cc1 7254505 QSXMXDTVRNKFPP-JLHYYAGUSA-N 350.374 3.892 0 40 FHAB Cc1ccc(C)c(NC(=O)COC(=O)c2nc(Cl)ccc2Cl)c1 7699038 HXBGNPOFQPHOQV-UHFFFAOYSA-N 353.205 3.801 0 40 FHAB Cc1cccc(C)c1NC(=O)c1nn(-c2cccc(Cl)c2)ccc1=O 9205743 KOWLHNQMOFZOJH-UHFFFAOYSA-N 353.809 3.755 0 40 FHAB O=C(COc1ccccc1Cl)N1CCN(c2ccccc2Cl)CC1 7889353 ZEEVSYXWXUZQRE-UHFFFAOYSA-N 365.260 3.721 0 40 FHAB C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 8036844 HVXAEFNJTNWBQX-LBPRGKRZSA-N 365.351 3.897 0 40 FHAB Cc1ccc(-n2c(C)nnc2SCC(=O)N[C@@H](C)c2cccs2)cc1 8090341 FVTGLDMNWPWHFW-ZDUSSCGKSA-N 372.519 3.915 0 40 FHAB COc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1Br 8131873 LYLHFXUDXJNFQI-UHFFFAOYSA-N 356.241 3.567 0 40 FHAB CC(C)n1ncc2c(C(=O)Nc3nnc(C4CC4)s3)cc(C3CC3)nc21 8231333 PNVMXWSAGORHML-UHFFFAOYSA-N 368.466 3.871 0 40 FHAB CCn1cc(Cn2c(=S)[nH]c3sc4c(c3c2=O)CC[C@@H](C)C4)c(C)n1 17076690 KVNVHCYYTXSYBI-SNVBAGLBSA-N 374.535 3.819 0 40 FHAB O=C(NCc1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 17029006 KVFYUPWOTNLNKX-UHFFFAOYSA-N 371.849 3.718 0 40 FHAB Cc1nc(C)c(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)s1 72313021 BMXVZQZJTPMOTH-UHFFFAOYSA-N 365.402 3.535 0 40 FHAB O=C(CCc1ccccn1)N(CCc1ccccn1)Cc1ccc(F)cc1 89883619 NNHVSRSXKXUGGC-UHFFFAOYSA-N 363.436 3.820 0 40 FHAB CC(=O)N1CCN(c2ccccc2NC(=O)c2cccc3ccccc23)CC1 408629040 JJRLXPMHBZQXQR-UHFFFAOYSA-N 373.456 3.761 0 40 FHAB O=C(Sc1nnc(-c2ccco2)o1)c1cc(Br)ccc1O 408534019 UOPMHBSECPDDFS-UHFFFAOYSA-N 367.180 3.730 0 40 FHAB Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1-c1ccc(F)cc1 409102413 ZKUPMIPWZARDJR-UHFFFAOYSA-N 360.389 3.585 0 40 FHAB O=C(c1ccc(F)cc1)N1N=C(C2CCCCC2)C[C@@]1(O)C(F)(F)F 32100789 FUWYGMVKQDOUAZ-MRXNPFEDSA-N 358.335 3.859 0 40 FHAB CCOc1ccc(OS(=O)(=O)c2ccc(C)cc2Br)cc1 32770578 HBSYDYGAIATRDK-UHFFFAOYSA-N 371.252 3.924 0 40 FHAB COc1cc2occ(-c3cc(OC)c(OC)c(OC)c3)c(=O)c2cc1OC 14646079 HLOABGSBRIDRHW-UHFFFAOYSA-N 372.373 3.503 0 40 FHAB biogenic CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cccn2)CC1 62017670 PZTVBWTVFVJEFG-UHFFFAOYSA-N 361.873 3.633 0 40 FHAB CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3C(C)(C)C)c2c(Cl)cccc21 32092667 KWEBMJRPFBQWCW-GOSISDBHSA-N 358.829 3.546 0 40 FHAB CC[C@@H](NC(=S)Nc1cccc(C(=O)OC)c1)c1ccc(OC)cc1 225489322 LPXZICXQIPOVOX-QGZVFWFLSA-N 358.463 3.920 0 40 FHAB O=C1CCCN1c1cccc(CNC(=S)Nc2ccc(F)c(F)c2)c1 225646674 IANSSFGUFFOUOP-UHFFFAOYSA-N 361.417 3.578 0 40 FHAB O=C(CSCc1ccccc1F)Nc1ccccc1C(=O)N1CCCC1 222700758 BXAGLMZMVCEDID-UHFFFAOYSA-N 372.465 3.934 0 40 FHAB Cc1ccc(CN2CC[C@H](c3nnc(-c4ccc(N(C)C)cc4)o3)C2)o1 49170220 RZWVETKNVVLMJC-INIZCTEOSA-N 352.438 3.694 0 40 FHAB biogenic,in-vitro CCCSc1nnc(NS(=O)(=O)c2c(C)cc(C)cc2C)s1 225858503 HEQZMXVHPHRDSY-UHFFFAOYSA-N 357.526 3.766 0 40 FHAB COc1ccc(CCC(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1C 223361494 SALWYPXECUOVFK-UHFFFAOYSA-N 365.433 3.611 0 40 FHAB O=C(/C=C/c1ccccc1Cl)NCC1CCN([C@H]2CCSC2)CC1 225569950 XXERZARCKDELAV-RTRPANQVSA-N 364.942 3.687 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)CSCc2ccccc2F)cc1 222706795 ZPAGCJMYKMENJW-AWEZNQCLSA-N 363.454 3.651 0 40 FHAB CCc1cccc(C)c1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 40639996 BFJVAYAREQENFA-UHFFFAOYSA-N 372.490 3.740 0 40 FHAB CC(C)N1c2sc(-c3ccccc3)nc2C[C@H]1C(=O)N1CCCCC1 96264443 YSLFKHJWPKDHFR-KRWDZBQOSA-N 355.507 3.962 0 40 FHAB Cn1c2ccccc2c2c1cc(C(=O)Nc1cccnc1)n2-c1ncccn1 96037284 GKAZKRURXRRZGK-UHFFFAOYSA-N 368.400 3.560 0 40 FHAB CCN1C(=O)C[C@@H](c2ccccc2)C12CCN(Cc1nccs1)CC2 96199676 PMSPKLQXIGTWTD-KRWDZBQOSA-N 355.507 3.514 0 40 FHAB Cc1cccc(NS(=O)(=O)c2ccc(Br)c(F)c2)c1F 95067914 LHKFYBQZZJFDCV-UHFFFAOYSA-N 362.195 3.837 0 40 FHAB C[C@H]1C[C@H](NC(=O)NCc2ccc(CN3CCCC[C@H]3C)cc2)C[C@@H](C)O1 535045656 IBERYEJRZCXYBW-DCXXXQMHSA-N 373.541 3.816 0 40 FHAB O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)c1cc(-c2ccncc2)c2cnccc2n1 247507118 RUMARPRVTUDNAW-XIRDDKMYSA-N 358.445 3.858 0 40 FHAB CCN1C(=O)CC[C@@H](C(=O)NCc2ccc(C)cc2)[C@@H]1c1ccccc1F 257202824 ANORGDVAESGCES-NQIIRXRSSA-N 368.452 3.750 0 40 FHAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CCC(=O)O 253524977 QIZQZYDEIVNNAA-DNNXKHSDSA-N 362.510 3.906 0 40 FHAB Cc1cc(C)cc(-n2nc(C(=O)O)c(N3CC[C@@H](c4ccccc4)C3)n2)c1 256049106 YEIWVFDZWUWSGV-QGZVFWFLSA-N 362.433 3.576 0 40 FHAB Cc1nc2ccccn2c1CN1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 95361098 LTTVHFSGVYFBHP-LEWJYISDSA-N 360.505 3.739 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)Nc2ccnc(C3CC3)n2)cc1 110114121 YYJJRZDQYOKUEG-CQSZACIVSA-N 374.510 3.558 0 40 FHAB C[C@@H](Sc1ccccc1Cl)C(=O)NC1CCN(CC(F)F)CC1 58430677 CVALPWIGXSDCQD-LLVKDONJSA-N 362.873 3.666 0 40 FHAB CNC(=S)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccc2nccnc2c1 58324566 NZPSGHYGOCDAIB-IBGZPJMESA-N 361.474 3.594 0 40 FHAB COc1ccc2cc(-c3nnc(-c4ccc(N(C)C)cc4)o3)c(=O)oc2c1 1252292245 GRPRCLRKXUTZMQ-UHFFFAOYSA-N 363.373 3.585 0 40 FHAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccn1)N(c1cc(C)on1)C3=O 5267732 GPUKJSPEGPDXSG-SFHVURJKSA-N 373.368 3.543 0 40 FHAB CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n2C(C)=O)cc1 12858246 HZAWGIIDZAVHCW-UHFFFAOYSA-N 367.430 3.630 0 40 FHAB O=C(OCc1ccc(Br)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 16488977 CTMXHMAKEKHKEN-CQSZACIVSA-N 374.234 3.545 0 40 FHAB CN(c1ncc(Cl)cn1)C1CCN(c2cccc(C(F)(F)F)n2)CC1 1889098403 DTJMHWGVKMRMDJ-UHFFFAOYSA-N 371.794 3.649 0 40 FHAB CSc1ccccc1NC(=O)N1CC2(C[C@@H](N3CCCC3)CS2)C1 2056224105 DCJVWLUUSMSUEK-CQSZACIVSA-N 363.552 3.596 0 40 FHAB O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1CCC1=CCCCC1 2975994 BBDANCUDUBFADN-UHFFFAOYSA-N 371.506 3.786 0 40 FHAB CC[C@@H](C(=O)NCCc1cc2c(C)ccc(C)c2[nH]c1=O)c1ccccc1 3911841 JIATZPVYHVKBRY-LJQANCHMSA-N 362.473 3.997 0 40 FHAB COc1ccc(CCC(=O)N2CCC[C@@H](COc3cccc(C)n3)C2)cc1 1775969445 RVTSGZLYNYOJND-LJQANCHMSA-N 368.477 3.649 0 40 FHAB CC1(C)[C@H]2CC[C@@]1(C)c1nnc(SCC(=O)Nc3ccccc3)nc12 100190406 GBBNQFROPRFRRA-DJJJIMSYSA-N 354.479 3.777 0 40 FHAB O=C(CCCc1cccs1)Nc1cccc(OCC(=O)N2CCCC2)c1 40090619 MRNJDMDIXUDZIE-UHFFFAOYSA-N 372.490 3.711 0 40 FHAB Cc1cccc(C)c1OCCNC(=O)CCCc1nc2ccccc2[nH]1 40113776 GOOIDARYHQAWTD-UHFFFAOYSA-N 351.450 3.698 0 40 FHAB COc1cc(CCC(=O)NCc2ccsc2-n2cccc2)cc(OC)c1 40155032 ILHIMJCBCBUWFU-UHFFFAOYSA-N 370.474 3.805 0 40 FHAB CN1CCc2c(sc3nc(SCc4ccc(F)cc4)nc(N)c23)C1 20439355 BPHQWCYDENCOEX-UHFFFAOYSA-N 360.483 3.693 0 40 FHAB CCCCOc1cccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@H](C)O3)c1 41014672 NZLLJYYBBQEKKM-AWEZNQCLSA-N 368.433 3.862 0 40 FHAB COc1ccccc1CNC(=O)CS[C@H]1CCc2ccccc2N=C1O 11865932 MITGHDQIMNBPFG-SFHVURJKSA-N 370.474 3.648 0 40 FHAB CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cc(C)on3)cc2)cc1 2651858 FSZXSQCNBRMQHC-UHFFFAOYSA-N 365.389 3.886 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)CCCOc2ccc(OC)cc2)c1 2660203 QVGNPHQZIDJVIF-UHFFFAOYSA-N 357.406 3.588 0 40 FHAB CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccccc1 779124 XSKZFSSXNSFBCJ-UHFFFAOYSA-N 364.474 3.646 0 40 FHAB COc1ccc2nc(C)cc(SCC(=O)NCc3ccccc3)c2c1 915677 ZQSZLKFJMZZZML-UHFFFAOYSA-N 352.459 3.960 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccccc2F)o1 928235 HEFUFQXTKMEJNG-GFCCVEGCSA-N 369.421 3.946 0 40 FHAB CCCCOC(=O)COC(=O)COc1c(Cl)cc(Cl)cc1Cl 2950754 YJBHAFZQNOFFJO-UHFFFAOYSA-N 369.628 3.912 0 40 FHAB COc1cc(S(=O)(=O)Nc2cccc(C)c2C)c(OC)cc1Cl 8132483 RZFUDPYMKBIVML-UHFFFAOYSA-N 355.843 3.775 0 40 FHAB CCCCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1ccccc1 4161268 QUECKCSUIPXRRY-UHFFFAOYSA-N 371.466 3.772 0 40 FHAB CC(=O)c1cccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)c1 7376082 OBHNKAKQHIGFPG-UHFFFAOYSA-N 358.246 3.675 0 40 FHAB CC[C@@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(C)cc1 7792621 PFCMQDWSWFKLNB-LJQANCHMSA-N 364.445 3.639 0 40 FHAB COc1ccc(O[C@H](C)C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1 8160954 KKZSASAAFNHRIB-FOIQADDNSA-N 371.433 3.659 0 40 FHAB CC[C@H](C)C(=O)Nc1ccc(-c2n[nH]c(Nc3nc(C)cc(C)n3)n2)cc1 8560187 SQFUPNDDXGXWHY-NSHDSACASA-N 365.441 3.607 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)c1nc(-c2ccc3cc[nH]c3c2)no1 12389348 LDJYDTRYBYFDSY-AWEZNQCLSA-N 360.417 3.969 0 40 FHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)N(Cc1cccnc1)C[C@@H]1CCCO1)C2 103669177 DNVMESHLYXLLLZ-VWNVYAMZSA-N 371.525 3.987 0 40 FHAB CCCOc1ccccc1N[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 9336436 NFUKTBGEMIJJPD-CQSZACIVSA-N 358.438 3.932 0 40 FHAB O=c1[nH]c(Cc2ncc(C(F)(F)F)cc2Cl)nc2ccc(F)cc12 53856000 FCNQSSIXKGRGDW-UHFFFAOYSA-N 357.694 3.720 0 40 FHAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2ccc(C(=O)OC)cc2)cc1 9480296 ZHGNQHSXRIYIEC-CQSZACIVSA-N 369.417 3.782 0 40 FHAB CN(C)C1(CNC(=O)c2ccc(Br)cc2F)CCCCCC1 23043725 QRYJVPSCUUMGSY-UHFFFAOYSA-N 371.294 3.973 0 40 FHAB COc1ccc(C(C)=O)cc1CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 23764631 QCEWKMJHJHZJEY-GFCCVEGCSA-N 361.388 3.938 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H](c3ccsc3)N(C)C)cc2)n1 25329813 AZXMZWTVZZVGGI-IBGZPJMESA-N 368.506 3.583 0 40 FHAB CC(=O)Nc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)ccc1F 25510026 SNNMDCWQWVTYQE-UHFFFAOYSA-N 364.442 3.882 0 40 FHAB CC(C)(C)NC(=O)c1ccc(NC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 44017571 XORKIAPETVOGIV-UHFFFAOYSA-N 374.529 3.646 0 40 FHAB COc1ccc(CN(C)C(=O)c2cccc(OC[C@H]3CCCO3)c2)cc1F 26338624 FHBYDLOQZTXSHW-GOSISDBHSA-N 373.424 3.664 0 40 FHAB Cc1ccn2c(NC(=O)c3cc(C)no3)c(-c3ccc(F)cc3)nc2c1 26369610 TZUPFJWDTUKKQF-UHFFFAOYSA-N 350.353 3.998 0 40 FHAB CNC(=O)c1ccc(NC(=O)CN[C@@H](c2ccc(Cl)cc2)C(C)C)cc1 57383481 XSTAAPPHNAMABO-LJQANCHMSA-N 373.884 3.625 0 40 FHAB Cc1ccccc1Nc1nnc(SCC(=O)NCc2ccco2)s1 3250906 HHYUUSWXKVESNX-UHFFFAOYSA-N 360.464 3.592 0 40 FHAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(OC(F)(F)F)cc1)OC2=O 100260858 MWMSZDFBWCRDIT-HOTGVXAUSA-N 357.328 3.646 0 40 FHAB CC(=O)N[C@H](CC(=O)Nc1ccc(Br)cc1)c1cccs1 12618152 AOBGPGBOAOEZKR-CYBMUJFWSA-N 367.268 3.717 0 40 FHAB CC[C@@H](Sc1nnc(C2CC2)n1CCC(N)=O)c1ccc(Cl)cc1 58228128 HMFRSNQJFLEKKB-CQSZACIVSA-N 364.902 3.928 0 40 FHAB C[C@@H](OC(=O)/C=C/c1ccco1)C(=O)Nc1cccc(C(F)(F)F)c1 3331806 CCDXWQZBKFBIGC-WSKFYRRCSA-N 353.296 3.882 0 40 FHAB O=C(CCOc1ccc(F)cc1)NC1CCN(Cc2ccccc2F)CC1 58394094 ROBMDRHDOKVQHG-UHFFFAOYSA-N 374.431 3.515 0 40 FHAB CC(=O)N(C)Cc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 45032383 ZTAKRKKWZDBVRP-CVEARBPZSA-N 356.388 3.972 0 40 FHAB Cc1cccn2c(=O)c3cc(C(=O)Nc4ccccc4F)sc3nc12 2466917 XSTAMGIKWWMOON-UHFFFAOYSA-N 353.378 3.609 0 40 FHAB COCCn1cc(NC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)cn1 59266485 NUKJIBPVFXDAGI-AWEZNQCLSA-N 361.511 3.994 0 40 FHAB COc1ccccc1NC(=O)CCn1c(-c2cccc(C)c2)n[nH]c1=S 12734546 ODCBDEMMOWKKKO-UHFFFAOYSA-N 368.462 3.954 0 40 FHAB CCCc1cc(=O)[nH]c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)n1 11443383 ZYAJCDVJMYQWED-SECBINFHSA-N 369.849 3.634 0 40 FHAB CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)sc(C)c1C 29030800 QZARNJSRMLWHEE-CYBMUJFWSA-N 372.446 3.606 0 40 FHAB O=C1c2ccccc2N[C@@]2(C(=O)Nc3cc(F)ccc32)N1c1ccccc1 48302220 NBIDTXQEMQTZAE-OAQYLSRUSA-N 359.360 3.703 0 40 FHAB O=C(COc1cccc(C(F)(F)F)c1)NCCc1c[nH]c2ccccc12 2539553 FUQSYIWPVXGFAH-UHFFFAOYSA-N 362.351 3.924 0 40 FHAB CCCc1ccc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)CS3)cc1 3442331 FPTVYVVBWUWTBG-UHFFFAOYSA-N 369.442 3.723 0 40 FHAB Cc1cccc(C)c1NC(=O)CNC(=O)c1cc(F)c(F)cc1Cl 3443034 JGLASEXZCVJBHQ-UHFFFAOYSA-N 352.768 3.604 0 40 FHAB CC(C)C[C@@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccccc1 18131172 PMSMBPADZPTNDY-LJQANCHMSA-N 359.491 3.748 0 40 FHAB CCN(C(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)c1cccc(C)c1 8246351 ZTEKAFXSVYDPRV-SFHVURJKSA-N 368.452 3.578 0 40 FHAB O=C(Cc1ccc2ccccc2c1)N[C@@H](CN1CCCC1=O)c1ccccc1 48957870 XAWOYPZWIVXYHU-QFIPXVFZSA-N 372.468 3.862 0 40 FHAB Cn1ccnc1[C@H](NC(=O)/C=C/c1c(F)cccc1F)c1cccc(F)c1 49617656 DAXDMSVEDFKDQN-CSHXORCISA-N 371.362 3.756 0 40 FHAB CCOc1cccc(-c2nnc(SCc3c(F)cccc3F)n2N)c1 5047235 MLTOCHQPZSJATI-UHFFFAOYSA-N 362.405 3.628 0 40 FHAB CC(=O)COC(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1 4318838 KICOULKWYQZVAY-MDZDMXLPSA-N 366.442 3.805 0 40 FHAB CCOC(=O)Cc1csc(NC(=O)C2(c3ccccc3)CCCC2)n1 39975554 AFHWKCKGBBRYME-UHFFFAOYSA-N 358.463 3.699 0 40 FHAB CSc1ccc(OC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc1 14018378 ZKPJWJPIBMRIJJ-UHFFFAOYSA-N 354.431 3.919 0 40 FHAB COc1ccc([C@@H]2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)OC3)cc1 5323433 RSURGDTWZVZMOP-INIZCTEOSA-N 369.804 3.680 0 40 FHAB CC(C)CC(=O)N1CCc2c([nH]c3ccccc23)[C@@]12C(=O)Nc1ccccc12 6623946 RQLLQDWQKCKVTO-QHCPKHFHSA-N 373.456 3.794 0 40 FHAB biogenic CCc1ccc(OCC(=O)N(CC)Cc2nc(-c3ccccc3)no2)cc1 6760829 GDRCFGHNQACTKK-UHFFFAOYSA-N 365.433 3.727 0 40 FHAB Nc1nc2c(s1)[C@@H](c1ccccc1OCc1cccc(F)c1)CC(=O)N2 15082035 PGGAHBGSCJCFFV-CQSZACIVSA-N 369.421 3.918 0 40 FHAB CSc1ncccc1C(=O)OCC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 4963846 KPWKBAPGCGFDIN-OFQRWUPVSA-N 365.495 3.964 0 40 FHAB Cc1cc(NC(=O)[C@H](OC(=O)c2ccccc2F)c2ccccc2)no1 8704457 TYFSUVSCSXOWED-QGZVFWFLSA-N 354.337 3.659 0 40 FHAB O=C(CSc1nncs1)N[C@H](Cc1ccccc1)c1ccccc1 7442650 VPBRAMWKCYMXSF-MRXNPFEDSA-N 355.488 3.730 0 40 FHAB Cn1c(SCC(=O)Nc2ccccc2N2CCCC2)nc2ccccc21 8777492 LOFZEXIALAAPAU-UHFFFAOYSA-N 366.490 3.904 0 40 FHAB CN(CC(=O)Nc1ccnn1C1CCCC1)Cc1ccc(Cl)s1 7677673 DRLBDRHTAVDJEL-UHFFFAOYSA-N 352.891 3.784 0 40 FHAB C[C@@H](NC(=O)c1cccc(CN2CCOCC2)c1)c1cccc(Cl)c1 68383244 APXBXMKBSIEGGG-OAHLLOKOSA-N 358.869 3.663 0 40 FHAB O=C(c1ccsc1)N1CC[C@]2(CCn3c(-c4cccs4)cnc32)C1 306144176 YXZXODRTHQZIIN-SFHVURJKSA-N 355.488 3.861 0 40 FHAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCc2ccccc2F)cc1 9575310 FSZXTIICMONWPL-UHFFFAOYSA-N 370.453 3.762 0 40 FHAB COc1cccc(/C=C2\S[C](Nc3cc(C)ccc3OC)NC2=O)c1 408797945 HIBZLJDARBUOFR-UHFFFAOYSA-N 355.439 3.775 0 40 FHAB c1ccc(-n2nnnc2CN2CCC[C@@H]2c2nc3ccccc3s2)cc1 9638087 MGMVOQOECVPVHN-MRXNPFEDSA-N 362.462 3.609 0 40 FHAB Cc1cc(C)c(NC(=O)c2nnn(Cc3cccc(Cl)c3)c2N)c(C)c1 9748975 NYWYEYVFTXJNSH-UHFFFAOYSA-N 369.856 3.740 0 40 FHAB Cn1ccnc1[C@H](NCCc1cn2ccccc2n1)c1ccccc1Cl 97236449 ZXAWHYPVPYIQSY-LJQANCHMSA-N 365.868 3.643 0 40 FHAB C/C=C/CCNC(=O)c1c(C)c2cc(Br)ccc2oc1=O 87297019 XRBCNIKFQHGGQR-ONEGZZNKSA-N 350.212 3.560 0 40 FHAB Cn1cc(NC(=O)C(C)(C)Oc2ccc([C@H]3CC3(Cl)Cl)cc2)cn1 72402763 HNIHDSJADDMBOI-CQSZACIVSA-N 368.264 3.877 0 40 FHAB Cc1cccc(C)c1OC[C@H](C)NC(=O)c1cc2ccccc2oc1=O 95369465 NMLDGUCKEWAGBZ-HNNXBMFYSA-N 351.402 3.607 0 40 FHAB Cc1cc(C(=O)Nc2nc3c(s2)CCCC3)c2cnn(C(C)C)c2n1 9954633 KJYVNBBFQIJXAR-UHFFFAOYSA-N 355.467 3.908 0 40 FHAB CN(c1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1)S(C)(=O)=O 408581488 XGJYQGGXDDDWAM-UHFFFAOYSA-N 373.261 3.642 0 40 FHAB CC(C)COc1ccc(Cc2ncc(OCc3ccccc3)c(=O)[nH]2)cc1 75253296 XRZLNHBZUUPJBN-UHFFFAOYSA-N 364.445 3.975 0 40 FHAB CS(=O)(=O)Nc1ccccc1NC(=O)c1cc(Cl)sc1Cl 24891657 YEMUEDGGDMTKQO-UHFFFAOYSA-N 365.263 3.679 0 40 FHAB C[C@@H](C1CC1)N(CCS(=O)(=O)Oc1ccccc1)Cc1ccccc1 39976562 PAIPHLIGGCNXDD-KRWDZBQOSA-N 359.491 3.696 0 40 FHAB COc1ccc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1O 409057630 VUBAKRSOAZZRNO-YBEGLDIGSA-N 357.387 3.650 0 40 FHAB O=C(c1ccc(O)cc1)C1CCN(C(=O)Cc2ccccc2Cl)CC1 36392865 GQWBEOJAPQPAFN-UHFFFAOYSA-N 357.837 3.710 0 40 FHAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)COc1ccc(OC)cc1 219588970 ILNLMAVBRDMKDO-UZLBHIALSA-N 357.450 3.745 0 40 FHAB COc1ccc(-[n+]2cc(-c3ccc(OC(F)F)cc3)n3c2CCC3)cc1 32611742 ZOOOHPRUMLTOEM-UHFFFAOYSA-N 357.380 3.988 0 40 FHAB c1ccc(CCN2CCCC[C@H]2c2ccnc(Nc3cncnc3)n2)cc1 72377580 HZHSHNOTTHKUGX-FQEVSTJZSA-N 360.465 3.780 0 40 FHAB CC[C@H](NC(=O)COc1cc(C)ccc1C)c1ccc(OC)c(OC)c1 218952491 PNZCVWALUQJZFF-KRWDZBQOSA-N 357.450 3.967 0 40 FHAB O=C(Cc1ccc(NC(=O)Nc2ccccc2F)cc1)NCC(F)(F)F 44036039 ZJEOYXGOXYYFKV-UHFFFAOYSA-N 369.318 3.691 0 40 FHAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1ccc2c(c1)OCO2 225795612 RJAFVYALOZHRLH-UHFFFAOYSA-N 351.337 3.572 0 40 FHAB CCCO[C@](C)(C(=O)Nc1ccc(OCCN2CCCC2)cc1)C1CC1 225671802 GKESHVUWSYLWIX-NRFANRHFSA-N 360.498 3.695 0 40 FHAB O=C(NCc1csc(Br)c1)c1coc(Br)c1 32581516 CSXNCQWXHJMFIA-UHFFFAOYSA-N 365.046 3.796 0 40 FHAB c1cnc(-c2nc(S[C@@H]3CCOC3)c3c4c(sc3n2)CCCC4)cn1 567992649 DXCQYHISURSCQN-LLVKDONJSA-N 370.503 3.908 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1 224951599 YBNAIQGIESQKQR-UHFFFAOYSA-N 360.479 3.876 0 40 FHAB CC(C)CSc1nnc(NC(=O)c2ccc(Cn3ccnc3)cc2)s1 224848920 GZTUTUNLROXDHN-UHFFFAOYSA-N 373.507 3.783 0 40 FHAB CC1(C)CC(=O)Nc2ccc(C(=O)NCCCc3cccc(F)c3)cc21 223277363 TWUZLGXFVVRZKG-UHFFFAOYSA-N 354.425 3.808 0 40 FHAB CC(C)C[C@@H](C(=O)Nc1cccc(C(=O)c2nccn2C)c1)n1cccc1 575444538 WZMJEKFGQQZVAA-SFHVURJKSA-N 364.449 3.679 0 40 FHAB CN(c1cccc(NC(=O)C2(c3ccccc3)CCCC2)c1)S(C)(=O)=O 223123756 SDAJRBKOFUUEFF-UHFFFAOYSA-N 372.490 3.533 0 40 FHAB CC(C)c1cc(C(=O)NCc2ccccc2)nc(N2CCCCCC2)n1 96192119 VHBSQCFYNJZMKJ-UHFFFAOYSA-N 352.482 3.910 0 40 FHAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)c2ccoc2C2CC2)cc1 583622207 ZGUMJWQJNOVSNE-NQIIRXRSSA-N 355.434 3.678 0 40 FHAB Cc1cc2nc([C@H]3CCCCN3C(=O)CCc3cccs3)ccn2n1 257232692 GLZPCWLJBVGZFV-QGZVFWFLSA-N 354.479 3.786 0 40 FHAB Cc1cccc(Nc2cc([C@@H]3CCCN(Cc4cn(C)cn4)C3)ccn2)n1 257222962 DVHMWZFMCSGWSL-GOSISDBHSA-N 362.481 3.642 0 40 FHAB COc1cccc(NC(=S)NCCCN2c3ccccc3C[C@H]2C)c1 260742293 UTSHGLIYEDJZJU-OAHLLOKOSA-N 355.507 3.823 0 40 FHAB CC(C)(C)C1=CCN(C(=O)NCc2ccnc(OC3CCOCC3)c2)CC1 270387057 LRWMSQZSDMFYKT-UHFFFAOYSA-N 373.497 3.527 0 40 FHAB CC[C@H](C)C(=O)N(Cc1ccccn1)C1CCN(C(=O)C(C)(C)CC)CC1 1775996620 AREVHNKNERAUOV-KRWDZBQOSA-N 373.541 3.884 0 40 FHAB CCOC(=O)c1nc(N2CCC[C@@H](c3ccncc3)C2)cc(C(C)(C)C)n1 596254138 LFLVNLYPJBGQOP-MRXNPFEDSA-N 368.481 3.730 0 40 FHAB Cn1ncc(C(F)(F)F)c1CNC(=O)NCc1cccc2ccsc12 624293405 HXXXAAFVPDJCIM-UHFFFAOYSA-N 368.384 3.653 0 40 FHAB C[C@@H]1NCCO[C@H]1c1ccc(-c2cccc(CO[C@@H]3CCOC3)c2)cc1 629732618 VLNLYLNHJCGMNB-KNXBSLHKSA-N 353.462 3.709 0 40 FHAB O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCCC[C@@H]1c1ncccn1 1153913226 YJTRHNIYEVWTTQ-QGZVFWFLSA-N 367.840 3.888 0 40 FHAB COc1ccc(CCC(=O)NC[C@@H](O)c2ccc(-c3ccsc3)o2)cc1 390828956 CKQQEFLGCLOCFL-QGZVFWFLSA-N 371.458 3.799 0 40 FHAB COc1ccccc1[C@H](CNC(=O)Cc1c(F)cccc1Cl)OC 96384798 JDOUPVAYQGXURT-KRWDZBQOSA-N 351.805 3.534 0 40 FHAB CN1CCC[C@]12CCCN(C(=O)CCCc1c[nH]c3ccccc13)CC2 585100235 IQRQUMRASFGCCS-JOCHJYFZSA-N 353.510 3.968 0 40 FHAB C[C@H]1COCCN1C(=O)NCc1ccc(N(C)c2ccccc2)c(F)c1 57147001 APNHSBCMMZYDQY-HNNXBMFYSA-N 357.429 3.524 0 40 FHAB CC(C)N(Cc1cccnc1)C(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 58357228 HOVSYUKAMOGDCP-KXBFYZLASA-N 351.450 3.727 0 40 FHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccn1)N(c1cc(C)on1)C3=O 5267729 GPUKJSPEGPDXSG-GOSISDBHSA-N 373.368 3.543 0 40 FHAB C[C@@H]1CN([C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@@H](C)O1 12693099 WNDMBVYJDCWGJH-KZNAEPCWSA-N 368.477 3.702 0 40 FHAB Cc1ccc(S(=O)(=O)Oc2cc(Cl)ccc2Cl)cc1C(=O)O 13076798 GDABJSJEZAWZGG-UHFFFAOYSA-N 361.202 3.768 0 40 FHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(OC)c(OC)c2)c1 15827555 MRGXUBBEQSDRLW-QGZVFWFLSA-N 371.433 3.698 0 40 FHAB Cc1c(Br)cc2c(c1C)OC[C@@H](N1CCC[C@@H](C)C1)C2=O 16249643 JIVMRPJEBPXDAA-MEBBXXQBSA-N 352.272 3.742 0 40 FHAB COc1ccccc1C(=O)NC(=S)Nc1cccc2c(O)cccc12 17073036 VLVGROLWRLNBAC-UHFFFAOYSA-N 352.415 3.681 0 40 FHAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1nc2ccccc2cc1C(N)=O 19083229 YBRJOAMHCBUTRS-MRXNPFEDSA-N 355.438 3.796 0 40 FHAB COc1ccc(F)cc1[C@@H](O)CN1CCC[C@@H](c2nc3ccccc3[nH]2)C1 19559129 FFQFCTWXWGLSBF-KUHUBIRLSA-N 369.440 3.624 0 40 FHAB CCC(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(Cl)cc1 19689569 NGZNZSOLOBGDRH-INIZCTEOSA-N 358.873 3.937 0 40 FHAB CCOC1CCN(C(=O)c2cc(-c3ccccn3)nc3ccccc23)CC1 19718323 AVHHKCVRKWHCMX-UHFFFAOYSA-N 361.445 3.938 0 40 FHAB Cc1cc(-c2noc([C@@H]3CC(=O)N(CCc4ccccc4)C3)n2)ccc1F 109556587 CMBGYUAFXUXYPO-QGZVFWFLSA-N 365.408 3.743 0 40 FHAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccccc1N1CCOCC1 3560300 QSYJBBIVXVGYMR-OAHLLOKOSA-N 374.868 3.891 0 40 FHAB O=C(CSc1nnc2ccccn12)Nc1cc(Cl)cc(Cl)c1 3505665 ZPDDVNLUEITVCP-UHFFFAOYSA-N 353.234 3.767 0 40 FHAB O=C(Nc1cccc(C(F)(F)F)c1)C1=NN(c2ccccc2)C(=O)CC1 6049453 APSAAFRZGVEHOZ-UHFFFAOYSA-N 361.323 3.827 0 40 FHAB COC(=O)c1cc(NC(=O)c2cc(F)ccc2Br)ccc1F 27192107 ODWMEHGJMPSIRY-UHFFFAOYSA-N 370.149 3.766 0 40 FHAB C[C@@H](C(=O)NCC1(c2ccccc2)CCCC1)n1c(=O)oc2ccccc21 32888526 ZEVNZFCIHIXWME-INIZCTEOSA-N 364.445 3.784 0 40 FHAB O=C1CC[C@]2(CCCN(Cc3nccs3)CC2)N1Cc1ccccc1 1615102418 UZXMCYTXQZFDRG-FQEVSTJZSA-N 355.507 3.690 0 40 FHAB COc1ccc(N2C(=O)c3ccc(C(=O)c4ccccc4)cc3C2=O)cc1 822911 CAEFZZSVFYMRTO-UHFFFAOYSA-N 357.365 3.727 0 40 FHAB COc1cc(OC)cc(C(=O)N2CCN=C2SCc2cccc(C)c2)c1 4120194 CWXXQOXQFHPCIM-UHFFFAOYSA-N 370.474 3.757 0 40 FHAB O=C(NCCc1c[nH]c2ccccc12)C1(c2cccs2)CCOCC1 4376504 UOKNYIUQWQPOJV-UHFFFAOYSA-N 354.475 3.637 0 40 FHAB CCOC(=O)[C@@H]1C(=O)OC(C)(C)[C@@H]1[C@@H](CC)C(=O)c1ccc(Cl)cc1 4694372 GYONFYNYMALABL-RBSFLKMASA-N 366.841 3.680 0 40 FHAB Cc1cc(C)cc(NC(=O)CSc2nc3sc(C)cc3c(=O)n2C)c1 5017130 TZNVNYAVUWSXNB-UHFFFAOYSA-N 373.503 3.651 0 40 FHAB CCOc1ccc(N2C[C@H](c3nc(-c4ccc(C)cc4)no3)CC2=O)cc1 9318624 NMTRGRCLOKCFOR-MRXNPFEDSA-N 363.417 3.964 0 40 FHAB O=C(Cc1cccs1)Nc1nnc(-c2ccc(Br)s2)o1 11695484 RDHVSENXUVTLFF-UHFFFAOYSA-N 370.253 3.803 0 40 FHAB O=C(NCc1cn(-c2ccsc2)nn1)c1ccc(-c2ccsc2)cc1 585408079 KLEKENHFXUDSOW-UHFFFAOYSA-N 366.471 3.987 0 40 FHAB Cc1cccnc1NC(=O)Cn1cc(C=O)c2cc(Br)ccc21 6257021 VKMZXWJQEOPBJW-UHFFFAOYSA-N 372.222 3.558 0 40 FHAB O=C(Nc1nc2ccccc2s1)N1CCC[C@H]1c1nnc2ccccn12 40151547 VIXCHXWPZBTXGP-ZDUSSCGKSA-N 364.434 3.708 0 40 FHAB O=C(COC(=O)c1cccc(Cl)c1)NCc1ccc(F)cc1Cl 51356151 PFUYBRPOCKHALH-UHFFFAOYSA-N 356.180 3.606 0 40 FHAB CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1 20744357 KKXHFVGGUBIIAJ-GHTZIAJQSA-N 350.462 3.970 0 40 FHAB CCN1CCc2nc(NC(=O)CCn3ccc4ccccc43)sc2C1 21296549 SJKWERLAOGNZEC-UHFFFAOYSA-N 354.479 3.505 0 40 FHAB CCOc1ccc2nc(SCC(=O)NCc3ccco3)c(C)cc2c1 915649 RIZUOHCANWFHDW-UHFFFAOYSA-N 356.447 3.943 0 40 FHAB CCCCN1CCc2ccc(NC(=O)c3ccc(CNC(C)=O)cc3)cc21 79107965 WMCJYVFBDPHZHF-UHFFFAOYSA-N 365.477 3.738 0 40 FHAB FC(F)Oc1ccc(NC(=S)NC2=NN(c3ccccc3)CC2)cc1 3354462 QUGIBMVHZZWRRS-UHFFFAOYSA-N 362.405 3.798 0 40 FHAB O=Cc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1 3386965 BSIDGVNJUMZKNK-UHFFFAOYSA-N 352.173 3.601 0 40 FHAB COc1cccc(CC(=O)NCc2ccccc2CN2CCCC[C@@H]2C)c1 32930750 WFQROTVKNXKNQH-SFHVURJKSA-N 366.505 3.929 0 40 FHAB CN(C(=O)c1ccc(OCC(F)(F)F)nc1)[C@H]1CCc2ccccc21 32905707 RCGGFBIQJYTGBX-HNNXBMFYSA-N 350.340 3.782 0 40 FHAB CSc1ccc(Cl)c(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)c1 7415439 HTQKXCJQBAMWPF-UHFFFAOYSA-N 374.849 3.735 0 40 FHAB O=C(COC(=O)Cc1ccccc1Cl)Nc1ccc(F)c(Cl)c1 7535496 JWTDUOIPUKIUHS-UHFFFAOYSA-N 356.180 3.857 0 40 FHAB O=C(O)COc1ccc(/C=C2\SC(=O)N(c3ccc(F)cc3)C2=O)cc1 12136858 XJJTWSHVADOZAF-DHDCSXOGSA-N 373.361 3.530 0 40 FHAB Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)c1 654357 SPCLKQCBBXNRRI-MRXNPFEDSA-N 372.490 3.810 0 40 FHAB O=C(Nc1ccc(F)cc1)c1nnc(CN2CCc3sccc3C2)s1 22893306 XLNMCHZXHJFEDP-UHFFFAOYSA-N 374.466 3.549 0 40 FHAB C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCN(Cc2ccsc2)CC1 22912754 TYOAXQSQXITKPQ-AWEZNQCLSA-N 363.914 3.546 0 40 FHAB COCCN(C(=O)[C@]1(C)CC1(Cl)Cl)c1nc2ccccc2s1 23042400 VTZIOKSOGTXTBQ-AWEZNQCLSA-N 359.278 3.860 0 40 FHAB Cn1c(C2CC2)nn(CN2CCC[C@H](c3nc4ccccc4o3)C2)c1=S 54466337 YNGJAELUZWRXLX-AWEZNQCLSA-N 369.494 3.807 0 40 FHAB O=S(=O)(c1ccccc1)n1ccc(-c2cnc(-c3ccccc3)s2)n1 1389000 ZZZPZDFBUDZIOU-UHFFFAOYSA-N 367.455 3.911 0 40 FHAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3ccn(C)n3)cc2)o1 24925173 ITXLUDDTBIHIDJ-UHFFFAOYSA-N 359.389 3.698 0 40 FHAB COc1ccc(C(=O)O)cc1NC(=O)c1cc(Cl)cc(Cl)c1OC 20141328 RWJXDRJSIOLFPB-UHFFFAOYSA-N 370.188 3.961 0 40 FHAB Cc1nccn1-c1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 20043829 PSCJTGSOHBUXSY-AWEZNQCLSA-N 369.852 3.918 0 40 FHAB O=C1/C(=C\c2ccc(O)cc2)NC(=S)N1c1ccccc1C(F)(F)F 103625427 AFGDEUUQALUPOY-UKTHLTGXSA-N 364.348 3.673 0 40 FHAB O=C(CCNC(=O)c1cc2c(s1)CCCCCC2)NC1CCCCC1 72272847 NAPIUUAXWXZYAZ-UHFFFAOYSA-N 362.539 3.976 0 40 FHAB CCOc1ccccc1NC(=O)N1CCC(NC(=O)c2cccs2)CC1 56530053 KDTQTZDIYMYVBX-UHFFFAOYSA-N 373.478 3.573 0 40 FHAB COC(=O)c1ccc2c(c1)[C@H]1C[C@](C)(O2)N(c2ccccc2C)C(=O)N1 101085022 SBQNCLFTPGVBEI-QRWLVFNGSA-N 352.390 3.551 0 40 FHAB CSc1nc2ccsc2c(=O)n1CC(=O)Nc1ccc(C(C)C)cc1 57504936 XEDXIAPRHSTPEC-UHFFFAOYSA-N 373.503 3.942 0 40 FHAB CCOC(=O)c1cccc(NS(=O)(=O)Cc2cccc(Cl)c2)c1C 10112311 ARDXAOMOKCICDV-UHFFFAOYSA-N 367.854 3.767 0 40 FHAB Cc1nc(Nc2nc3ccccc3o2)ncc1C(=O)N1CCC[C@H](C)C1 10157593 LTMNYCJTPIZRKY-LBPRGKRZSA-N 351.410 3.542 0 40 FHAB CC(C)c1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1 27580583 BEPOBVIWYJAECE-CYBMUJFWSA-N 354.406 3.547 0 40 FHAB Cc1n[nH]cc1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 58180394 AODSKCJNUIEELW-UHFFFAOYSA-N 373.278 3.557 0 40 FHAB CC[C@@H](C(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1)c1ccccc1 58178604 NLPDZTSERSTRPP-HXUWFJFHSA-N 368.452 3.740 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=O)CSc2ccc(OC)cc2)c1 25732053 NIZCTADAHDPCIX-UHFFFAOYSA-N 365.838 3.866 0 40 FHAB Clc1ccc(COc2ccc(Cl)cc2CNc2nn[nH]n2)cc1 22112272 NZJVGSUPFHBQFA-UHFFFAOYSA-N 350.209 3.698 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(F)c3C)o2)cc1 175329728 IMQULQZNCIWAAK-UHFFFAOYSA-N 373.409 3.924 0 40 FHAB Cc1cc(CNC(=O)c2ccccc2SCc2c(C)noc2C)on1 58357422 NKINOMJSRCRWFJ-UHFFFAOYSA-N 357.435 3.810 0 40 FHAB CCSc1nc2ccc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)cc2s1 408748499 AZQRWURIPUJMIL-CHPZLBCBSA-N 374.487 3.870 0 40 FHAB CCN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)N(C)C1=S 409038264 FBQLJWIPGGGQBD-PDGQHHTCSA-N 370.449 3.824 0 40 FHAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@@H](C)c1ccc(F)c(F)c1 48333682 PQDSGNLLQBEXKP-LBPRGKRZSA-N 361.392 3.858 0 40 FHAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cn(C)nc1-c1cccnc1 48354628 KWJRALKXOAFTRV-UHFFFAOYSA-N 374.366 3.773 0 40 FHAB Cc1n[nH]cc1CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 48302467 ZXRJZGLMERPXJQ-UHFFFAOYSA-N 374.448 3.641 0 40 FHAB CSc1nc(NC[C@H]2CCCO2)c2c3c(sc2n1)COC(C)(C)C3 2399750 GHXQPCMRTBHCST-SNVBAGLBSA-N 365.524 3.855 0 40 FHAB O=C1c2ccccc2N[C@]2(C(=O)Nc3cc(F)ccc32)N1c1ccccc1 48302219 NBIDTXQEMQTZAE-NRFANRHFSA-N 359.360 3.703 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(Br)s1 11657428 XRCNRNRIMAVMNV-UHFFFAOYSA-N 369.240 3.730 0 40 FHAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cn1 29456617 VMQDCYALWSBFSR-HNNXBMFYSA-N 354.454 3.520 0 40 FHAB Cc1c(Cl)cccc1NC(=O)COc1cccc(N2CCCC2=O)c1 12994785 HZOUBHBOOBHVEN-UHFFFAOYSA-N 358.825 3.793 0 40 FHAB O=C(O)c1cccnc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 13090327 SDUPPHNCFMWJDQ-UHFFFAOYSA-N 373.456 3.691 0 40 FHAB CC(=O)NCc1ccc(C2=NN=C(Nc3ccccc3C)SC2)cc1 8726078 GPAJSSNWGTWWQE-UHFFFAOYSA-N 352.463 3.550 0 40 FHAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N1CCc2ccccc2C1 63444981 ZZZKCMGAQPIICR-CXAGYDPISA-N 352.409 3.619 0 40 FHAB Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)NCc3ccco3)s2)c1 6057675 AFAPMYJWWUZURK-LBPRGKRZSA-N 374.491 3.980 0 40 FHAB CC[C@H](O)CNc1ncnc2c1sc1nc(C)c3c(c12)CC(C)(C)OC3 5163252 BDOMBFKGXDERAK-NSHDSACASA-N 372.494 3.582 0 40 FHAB CCOc1ccccc1NC(=O)CSc1nc2cc(Cl)cnc2[nH]1 5248906 UDLHGJNBCGAXIY-UHFFFAOYSA-N 362.842 3.741 0 40 FHAB Cc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)c(C)c1 4468455 WCOBCEXZAIZHOL-HXUWFJFHSA-N 370.836 3.607 0 40 FHAB O=C(Nc1cccc2[nH]ccc12)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 65576498 AQJMGRPGQFKXLE-GFCCVEGCSA-N 353.809 3.813 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)CN[C@H](C)c1cc(C)ccc1C 14185020 LIRSYJYULPUVOB-OAHLLOKOSA-N 369.465 3.560 0 40 FHAB CCc1cc(-c2n[nH]cc2-c2ccc3c(c2)OCCO3)c(O)cc1OC 5489491 DKYDTFCHFHKRQH-UHFFFAOYSA-N 352.390 3.792 0 40 FHAB biogenic Cc1cc(-c2nnc3n2N=C(c2ccc(Cl)c(Cl)c2)CS3)n[nH]1 5460294 HSQGMBCTNNWPRX-UHFFFAOYSA-N 365.249 3.642 0 40 FHAB CC1=Cc2nc3ccccc3n2[C@@]2(C(F)(F)F)OC(c3cccnc3)=NN12 6566990 FJHCJULYDXUEMN-GOSISDBHSA-N 371.322 3.672 0 40 FHAB Fc1ccc(N2CCN([C@H]3NC=Nc4sc5c(c43)CCCC5)CC2)cc1 26504845 UHBDWFKKEPAREP-LJQANCHMSA-N 370.497 3.850 0 40 FHAB CCCn1nc(C(=O)N[C@@H]2CCCc3ccccc32)c2ccccc2c1=O 5516955 YYZJUMWDZWYVIA-LJQANCHMSA-N 361.445 3.614 0 40 FHAB COc1ccccc1[C@@H]1C[C@@H](c2ccccc2)N(C(=O)C2CC2)c2ncnn21 4816915 FBQSFNWNJMGPSI-OALUTQOASA-N 374.444 3.764 0 40 FHAB CCOc1ccc(NC(=O)C(=O)c2c[nH]c3ccccc23)cc1OCC 15107552 QYGWLUHDUKHVPQ-UHFFFAOYSA-N 352.390 3.787 0 40 FHAB C[C@H]1c2ccsc2CCN1C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 7830433 QGINIFJVYHAHSE-ZDUSSCGKSA-N 364.511 3.841 0 40 FHAB O=C(c1c[nH]c(-c2nnc3ccc(C(F)(F)F)cn23)c1)c1ccccc1O 7986583 CSKPCBGGNSTOQX-UHFFFAOYSA-N 372.306 3.680 0 40 FHAB Cc1nn(C)c(C)c1[C@@H]1CC(O)=Nc2c1c(=O)[nH]n2C1CCCCCCC1 71280446 YCMJZGCAGGUEDO-HNNXBMFYSA-N 371.485 3.936 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1cc(F)ccc1Cl 72330140 DKKPAQNSWVTWIQ-CYBMUJFWSA-N 363.816 3.773 0 40 FHAB CCC(CC)NC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 9336111 WOYLZNOGQIKNOD-CYBMUJFWSA-N 360.401 3.813 0 40 FHAB COc1ccc(CN(C(=O)N[C@H](c2nccs2)C2CC2)C2CC2)cc1 74708997 ZMZAXYUHNJSNJC-KRWDZBQOSA-N 357.479 3.977 0 40 FHAB C[C@@H](NC(=O)/C=C/c1ccc(-c2ccccc2F)o1)c1nnc2n1CCC2 89913794 QZGNCPZIBNSEQK-YGNAEDSMSA-N 366.396 3.514 0 40 FHAB O=C(NCCc1ccccc1)c1cccc(-c2noc(C(F)(F)F)n2)c1 507898858 NYKMIUQBGKJZAK-UHFFFAOYSA-N 361.323 3.728 0 40 FHAB OCCOc1ccc(C2(c3ccc(OCCO)cc3)CCCCC2)cc1 34247312 DNTHXHASNDRODE-UHFFFAOYSA-N 356.462 3.679 0 40 FHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCCC[C@@H]1Cc1ccccc1 522238653 ZSPJDBRYRLXFBI-GOSISDBHSA-N 371.502 3.636 0 40 FHAB O=C(c1ccc2ncsc2c1)N1CCC(c2nnc(C3CC3)o2)CC1 38518651 MPLIIMWGADSNBO-UHFFFAOYSA-N 354.435 3.577 0 40 FHAB COc1ccc(-n2nc(C(=O)c3cccc4ccccc34)sc2=N)cc1 3849202 KMCRJFLEHNYOBL-UHFFFAOYSA-N 361.426 3.806 0 40 FHAB biogenic COc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)o2)cc1 32593537 KRBBTIIQKMGCQP-UHFFFAOYSA-N 371.414 3.682 0 40 FHAB CCc1noc(-c2cccc(NC(=O)c3ccc(OC)c(OC)c3)c2)n1 33012801 IVUXVZJCMDLRGO-UHFFFAOYSA-N 353.378 3.569 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N(C)C)nc2C)cc1 72218779 OVFPZHGCPDTFLX-IBGZPJMESA-N 373.522 3.680 0 40 FHAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(CN2CCCC2)c1 32463071 QSSQQQQHWJGBAL-MRXNPFEDSA-N 356.441 3.505 0 40 FHAB CCC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCCC1 217449666 JHCRJYBTZUNXIZ-CYBMUJFWSA-N 368.499 3.596 0 40 FHAB C[C@H](C(=O)N1CCC[C@H](c2[nH]ncc2-c2ccncc2)C1)c1ccccc1 72334776 ZPZCHAADGSGCDF-LPHOPBHVSA-N 360.461 3.981 0 40 FHAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)Cc1ccccc1F 40108500 YXUZOTNYZJFJJZ-LBPRGKRZSA-N 350.231 3.878 0 40 FHAB C[C@H](COc1ccccc1)NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 223615289 DRUQWWFXOGGDPO-IAGOWNOFSA-N 353.462 3.916 0 40 FHAB COc1ccccc1OCCNC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 225140417 GILJHMISXOFNJW-MRXNPFEDSA-N 369.461 3.537 0 40 FHAB COc1ccc(OCCCC(=O)NCCOc2ccc(C)c(C)c2)cc1 224146787 DLMAJJGFBBJKSE-UHFFFAOYSA-N 357.450 3.666 0 40 FHAB COC(=O)c1cc2cc(NC(=S)NCc3ccncc3)ccc2s1 225213233 ZFLVNKYJTFXKCU-UHFFFAOYSA-N 357.460 3.570 0 40 FHAB COc1cc(CO)cc(CSC)c1OC(=O)c1ccc(Cl)cc1 226288902 ZSNHTKSMWCLTFZ-UHFFFAOYSA-N 352.839 3.923 0 40 FHAB CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Br)s1 222723995 DOWOPTUNXGYDTK-VXGBXAGGSA-N 354.298 3.508 0 40 FHAB S=C(NCC1(c2cccc(Cl)c2)CCOCC1)Nc1ccccn1 224019398 YLYIDXAEFVMKLA-UHFFFAOYSA-N 361.898 3.770 0 40 FHAB CCC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC(C)C 224956420 WQTGEBFHUVIPOB-HXUWFJFHSA-N 370.468 3.700 0 40 FHAB Cc1ccc(-c2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4)C3)no2)cc1 44428550 HSIHKESLRPGTPM-MRXNPFEDSA-N 351.381 3.700 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1 224386246 ADWFGSJEOXOXDX-FQEVSTJZSA-N 370.468 3.620 0 40 FHAB Cn1nccc1/C=C/C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 40068513 CNXCGHJYQYRDOS-HWKANZROSA-N 374.160 3.853 0 40 FHAB CN(C(=O)C(F)(F)F)c1ccc(N2CCCC2)c(Br)c1 226276178 IZTCKVZOBZJOSL-UHFFFAOYSA-N 351.166 3.574 0 40 FHAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)c1 224517785 LEAXAVJXPCPHEP-ROUUACIJSA-N 351.431 3.860 0 40 FHAB C[C@@]12C[C@H](c3ccccc3)N(C(=O)C3CCCCC3)[C@@H]1CCC[C@@H](O)[C@H]2O 257331737 XUASQKFIUBJIQX-XARADAHVSA-N 371.521 3.821 0 40 FHAB O=C(c1ccccc1)N1CC[C@@H](c2nc(-c3ccc(C(F)F)nc3)no2)C1 624654015 YYHGESDEPNQMGF-CQSZACIVSA-N 370.359 3.699 0 40 FHAB CC1(C)[C@@H](NC(=O)Nc2ccccc2Cn2cncn2)[C@@H]1c1ccccc1 626311485 GLEFFADNXVFGGH-OALUTQOASA-N 361.449 3.640 0 40 FHAB O=C(O)c1ccc(CN2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1Cl 659797078 BPMIBIBRSAUIIY-DLBZAZTESA-N 359.853 3.636 0 40 FHAB CCc1nn(C)c(CC)c1CN[C@H](CN(C)Cc1ccccc1)C(C)C 1181114156 SLKQPQAJANSKAK-OAQYLSRUSA-N 356.558 3.791 0 40 FHAB CC(=O)N[C@@H](CC(=O)N1c2ccccc2N(C)CC[C@H]1C)c1cccs1 607714460 XBMDEBISBRKVMM-ZBFHGGJFSA-N 371.506 3.577 0 40 FHAB COc1ccc(NC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1OC(F)F 43995619 OUQNGPKFVAZNBH-UHFFFAOYSA-N 371.428 3.727 0 40 FHAB CCc1ccc(S(=O)(=O)NC[C@@](C)(OC)c2cccc(Cl)c2)s1 96392831 PSISZVFKFZDJAF-MRXNPFEDSA-N 373.927 3.804 0 40 FHAB O=C(NC1CC1)[C@H](NCc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 57611527 FIEQZMVZPHFWPS-QGZVFWFLSA-N 366.358 3.954 0 40 FHAB CC(C)[C@@H]1CCCN1C(=O)c1cccc(C(=O)N2CCC[C@H]2C(C)C)n1 63814273 ZIDIRNAEHHXVBM-OALUTQOASA-N 357.498 3.603 0 40 FHAB C[C@@H](NCC1(c2ccc(F)cc2)CCOCC1)c1nc(C(C)(C)C)no1 66390339 ANCIWKSEIVPEBZ-CQSZACIVSA-N 361.461 3.905 0 40 FHAB COc1cccc(-c2nc3c(C)cccn3c2NC[C@H]2CCCO2)c1OC 883879 YFPNPQDITADTQX-OAHLLOKOSA-N 367.449 3.918 0 40 FHAB O=C1C[C@]2(CC[C@@H]3[C@@H](C(=O)NC4CCCC4)[C@@H]32)Oc2ccc(Cl)cc21 12087256 UESWYPBEAXCAOH-JZURDYQRSA-N 359.853 3.759 0 40 FHAB O=C(C[C@H]1NC(=O)c2ccccc21)NC1(c2ccc(F)cc2)CCCC1 12143123 SIVOARYKWBODKE-GOSISDBHSA-N 352.409 3.586 0 40 FHAB CCc1cccc2c(CC(=O)NCc3noc(-c4ccccc4)n3)c(C)[nH]c12 12203100 APXYUQCCUJBROZ-UHFFFAOYSA-N 374.444 3.948 0 40 FHAB Cc1cccc(NC(=O)C2CCN(C(=O)NCc3ccccc3)CC2)c1C 12471693 MUURHJWBEFJPKR-UHFFFAOYSA-N 365.477 3.864 0 40 FHAB O=C(CC1CCCC1)N1CCC[C@H](c2nc(O)cc(-c3ccccn3)n2)C1 13267923 RJMGZTIJVZDAAR-INIZCTEOSA-N 366.465 3.531 0 40 FHAB CCOc1ccccc1NC(=S)NCCc1ccc(OC)c(OC)c1 13792257 ZYACTELUDVZIMH-UHFFFAOYSA-N 360.479 3.632 0 40 FHAB COc1ccc(C)cc1N1C[C@H](C(=O)Oc2cccc(Cl)c2)CC1=O 14470316 ZAAODHLTVXYGOV-CYBMUJFWSA-N 359.809 3.616 0 40 FHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)CSc1ccc(Cl)cc1 15972914 RMBCGXKTSVIJPA-UHFFFAOYSA-N 366.845 3.668 0 40 FHAB C[C@@H]1CN(c2ncc(-c3ccncc3)c(-c3cccs3)n2)C[C@@H](C)O1 19497623 KQTKSGSIQHTIKL-ZIAGYGMSSA-N 352.463 3.881 0 40 FHAB CCC(=O)N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2ccccc2F)C1 19499266 QAMNTSOZPXCCRN-CRAIPNDOSA-N 361.486 3.762 0 40 FHAB Fc1ccccc1OCCc1cc([C@@H]2CCCN2Cc2ccncc2)n[nH]1 19703671 KGQXQNLWKVHTRG-FQEVSTJZSA-N 366.440 3.902 0 40 FHAB O=C(CCc1nc2ccccc2[nH]1)NCC1(c2ccccc2Cl)CC1 19717725 LZSZENWJEVQPIM-UHFFFAOYSA-N 353.853 3.997 0 40 FHAB COc1ccc(Br)cc1CN(C)C(=O)c1ccc2[nH]cnc2c1 17957648 VQSASACZOWVVEA-UHFFFAOYSA-N 374.238 3.606 0 40 FHAB Cc1csc(C(=O)N2CCC[C@@]3(CCCN(Cc4cccnc4)C3)C2)c1 2056223226 JNXZFWPKKDPIIA-OAQYLSRUSA-N 369.534 3.970 0 40 FHAB Cc1ccc(-c2csc(NC(=O)CS(=O)(=O)c3ccccc3)n2)cc1 5189713 QJQHJWONAUXZQK-UHFFFAOYSA-N 372.471 3.531 0 40 FHAB O=C(c1ccco1)N(CCCn1ccnc1)c1nc2ccccc2s1 7424422 ZBVYPNRWAXFQBQ-UHFFFAOYSA-N 352.419 3.823 0 40 FHAB CC(C)(C)C(=O)Nc1nc(CC(=O)NCc2ccccc2Cl)cs1 9659440 PTWLYUBKTITWNW-UHFFFAOYSA-N 365.886 3.640 0 40 FHAB CC(C)c1nn(Cc2ccccc2F)c(=O)c2c1cnn2-c1ccccc1 12228921 QQUJXHMOJHBQKJ-UHFFFAOYSA-N 362.408 3.893 0 40 FHAB COc1ccccc1[C@H]1CC(O)=Nc2c1c(C)nn2-c1ccc(Cl)nn1 15083576 IXTWDEBHYAFART-GFCCVEGCSA-N 369.812 3.756 0 40 FHAB COc1ccccc1OCC(=O)OCc1cc(-c2ccccc2F)on1 16838631 ZYTRPTWALBJELK-UHFFFAOYSA-N 357.337 3.612 0 40 FHAB O=C(c1ccc2nsnc2c1)N(Cc1ccsc1)CC(F)(F)F 44447533 MAUJRYNPYUVTNW-UHFFFAOYSA-N 357.382 3.958 0 40 FHAB Cc1cc(C)n([C@@H](CNC(=O)Cc2ccc(F)cc2)c2cccs2)n1 575609815 HSDLMIDXKCZURP-KRWDZBQOSA-N 357.454 3.649 0 40 FHAB COc1ccccc1-c1cc(C(=O)NCc2cncc(-c3ccco3)c2)n[nH]1 575618144 JISDAFSBPCIBCY-UHFFFAOYSA-N 374.400 3.670 0 40 FHAB O=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1)Oc1ccccc1 4518900 TXPDZGPAMJWZKK-GOSISDBHSA-N 371.414 3.583 0 40 FHAB CCOC(=O)c1cc2cc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)ccc2s1 8816557 SLNGYHCROBSZCA-ZIAGYGMSSA-N 373.430 3.684 0 40 FHAB O=C(Nc1ccc2c(c1)-c1ccccc1C2)C1CCN(c2ncccn2)CC1 40130089 AXTVVNQHJWYRGH-UHFFFAOYSA-N 370.456 3.903 0 40 FHAB Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)c1 40150770 QSJMZGJEQFODNI-QGZVFWFLSA-N 369.440 3.694 0 40 FHAB CCn1c(=O)c(C)nc2cc(C(=O)N3CCC[C@H]3c3ccsc3)ccc21 40107730 NDGAHKLGXMCEKP-KRWDZBQOSA-N 367.474 3.764 0 40 FHAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CCNC(=O)OCC(F)(F)F 40158000 PYLCOVLDDRIALW-NSHDSACASA-N 372.343 3.631 0 40 FHAB COc1ccc2cc(CN3CCC[C@H](c4nc(C)no4)C3)c(Cl)nc2c1 40156383 ZWFFYPXLIDQBTN-AWEZNQCLSA-N 372.856 3.968 0 40 FHAB O=C1c2ccccc2N[C@]2(C(=O)Nc3ccccc32)N1CCc1ccccc1 100139703 DPABLEFNAAPVDF-QHCPKHFHSA-N 369.424 3.602 0 40 FHAB COc1ccc([C@H](C)NC(=O)COC(=O)c2ccc(F)c(Cl)c2)cc1 51356888 LMZMRIQDQDBEMO-NSHDSACASA-N 365.788 3.522 0 40 FHAB CC(C)COC(=O)c1cccc(Nc2c(N)oc(=O)c3ccccc23)c1 101425866 QDFWHNKYJMSXFF-UHFFFAOYSA-N 352.390 3.932 0 40 FHAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1[C@H]2CC[C@H]1CC(C)(O)C2 101468277 BFZUUUSUNCJMKQ-STQMWFEESA-N 371.403 3.681 0 40 FHAB Cn1c(SCC(=O)c2ccc(Cl)cc2)nc2sccc2c1=O 20861754 GUMTWGTXCQXQIP-UHFFFAOYSA-N 350.852 3.623 0 40 FHAB Cc1cc2c(cc1C)[n+](C)cn2C[C@H](O)COc1ccc2ccccc2c1 889918 QKTBEIYLSCDSPD-FQEVSTJZSA-N 361.465 3.676 0 40 FHAB O=C(COc1ccc(Cl)cc1)N[C@H]1CCCN(c2cccc(F)c2)C1 78758607 FSMHPWXAZWAQIX-INIZCTEOSA-N 362.832 3.643 0 40 FHAB CCOc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)cc1 12062769 AXUCLOBBWBGBDC-NRFANRHFSA-N 368.477 3.661 0 40 FHAB biogenic CCOc1ccccc1N1CCN(C(=O)c2cc3c(s2)CCC3)CC1 3231223 QZXWMCOYODEWLH-UHFFFAOYSA-N 356.491 3.598 0 40 FHAB Cc1cc(NC(=O)COC(=O)c2cccs2)ccc1Br 3379375 DKMSJMXMDQLJLR-UHFFFAOYSA-N 354.225 3.615 0 40 FHAB CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)O)c2cccc3ccccc23)CC1 4241871 DDVSCUBGOYVIJP-GOSISDBHSA-N 370.449 3.518 0 40 FHAB COc1cccc(CN2C(=O)c3ccccc3[C@]2(O)c2ccc(F)cc2)c1 32935270 DXZSEAMLAIOUJQ-JOCHJYFZSA-N 363.388 3.684 0 40 FHAB CCc1ccc(C2=Nn3c(nnc3-c3ccccc3OC)SC2)cc1 4586114 WYISBACREYLNNI-UHFFFAOYSA-N 350.447 3.874 0 40 FHAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NCCc1cccc(Cl)c1)[C@H]2C(=O)O 4893609 RETBMQRJDXWTDX-IDCNUPLLSA-N 361.869 3.692 0 40 FHAB Cn1c(CNC(=O)c2ccccc2)nnc1SCc1ccc(Cl)cc1 6223896 DGIDEISMHISVRM-UHFFFAOYSA-N 372.881 3.691 0 40 FHAB CC(=O)Nc1ccc2nc(NC(=O)c3cccc(Br)c3)oc2c1 6296106 JJBZHHLBQSZFDH-UHFFFAOYSA-N 374.194 3.801 0 40 FHAB Cc1cccc(CN2C(=O)N/C(=C/c3cn(CC#N)c4ccccc34)C2=O)c1 6967290 RKSTWRLAIGHCJT-XDHOZWIPSA-N 370.412 3.566 0 40 FHAB Cc1cc2occ(CC(=O)OCC(=O)N(C)Cc3ccsc3)c2cc1C 7290800 MBSRFTMFTZHAGT-UHFFFAOYSA-N 371.458 3.855 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 12137079 WLHKVUQCIYWTSW-HNNXBMFYSA-N 354.450 3.929 0 40 FHAB COc1ccc(-c2noc(CCC(=O)N(C)[C@H](C)c3ccccc3)n2)cc1 10431625 GPDAVLGSTSKATR-OAHLLOKOSA-N 365.433 3.897 0 40 FHAB O=C(CNCc1ccco1)Nc1ncc(Cc2cccc(Cl)c2)s1 2887534 ZYKDZXBJXHZARK-UHFFFAOYSA-N 361.854 3.709 0 40 FHAB COc1ccccc1NCC(=O)Nc1ncc(Cc2ccccc2)s1 2887823 HEEOIHWZHKKMQI-UHFFFAOYSA-N 353.447 3.793 0 40 FHAB Clc1cc(CSc2nnc(N3CCCC3)s2)cc2c1OCO2 52912664 APPYDDQAGYKQEW-UHFFFAOYSA-N 355.872 3.813 0 40 FHAB CCc1ccc2c(CN3CCN(Cc4ccccc4)CC3)cc(=O)oc2c1 22030202 KCUYBKMOYFFGOV-UHFFFAOYSA-N 362.473 3.673 0 40 FHAB O=C(Nc1ccccc1F)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12389222 AXBXDKRPLFKTMN-OAHLLOKOSA-N 365.408 3.798 0 40 FHAB Nc1nc2c(s1)[C@H](c1cccc(OCc3ccc(F)cc3)c1)CC(=O)N2 12428848 QZZRFCKHYVUGSW-HNNXBMFYSA-N 369.421 3.918 0 40 FHAB COc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(C)(C)C)CC2=O)cc1 800909 PRGOEKQFTNOSTP-OAHLLOKOSA-N 366.461 3.984 0 40 FHAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1c(-c2ccccc2)nc2sccn12 12535818 XJCXSBZUZOIPNQ-KBPBESRZSA-N 367.430 3.668 0 40 FHAB O=C(CSc1nccn1-c1ccccc1)N1CCC(c2ccccc2)=N1 24839054 CPSQURNSBZMVRE-UHFFFAOYSA-N 362.458 3.601 0 40 FHAB COCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cn1 58759110 WSRBTHOOZOWYQM-UHFFFAOYSA-N 358.413 3.696 0 40 FHAB O=C(COC(=O)C1(c2ccccc2F)CCCC1)N1CCc2ccccc21 3255056 QZCYQLFCGDJCRH-UHFFFAOYSA-N 367.420 3.770 0 40 FHAB O=C(Nc1cccc(Cn2ccnc2)c1)[C@H]1Cc2cc(Cl)ccc2O1 25175132 MVTSRAUUXIPVKO-GOSISDBHSA-N 353.809 3.527 0 40 FHAB O=C(COC(=O)Cc1ccc(Cl)cc1)Nc1ccccc1OC(F)F 3279899 ZPRASLBXVCEKQC-UHFFFAOYSA-N 369.751 3.666 0 40 FHAB CCCc1ccc(S(=O)(=O)Nc2ccc(F)c(NC(C)=O)c2)cc1 25510053 JQHSTXZBTZCYSL-UHFFFAOYSA-N 350.415 3.537 0 40 FHAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1)c1cccnc1 100156344 MOQZWGVEWMYBSJ-OKILXGFUSA-N 368.462 3.897 0 40 FHAB COc1ccc(C(=O)N(C)Cc2cc(Br)cs2)cc1OC 48069322 LJBPZLHSYMHQHJ-UHFFFAOYSA-N 370.268 3.800 0 40 FHAB Cc1nn(C)c(C)c1C(=O)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 59585217 YJXYQNMUCQFNII-UHFFFAOYSA-N 374.872 3.502 0 40 FHAB CSc1nc2ccsc2c(=O)n1CC(=O)Nc1c(C)cc(C)cc1C 57504979 CURIKNKDXHVRRS-UHFFFAOYSA-N 373.503 3.744 0 40 FHAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccn(CCc2ccncc2)n1 58179995 YQHKHOZNMZHISE-AWEZNQCLSA-N 370.840 3.580 0 40 FHAB COC(=O)C[C@H](NC(=O)Nc1cccc2cnccc12)c1cccs1 58202713 TWXUFPBSLXJTGX-HNNXBMFYSA-N 355.419 3.722 0 40 FHAB COC[C@@H](C)n1c(SCc2nc(C)c(C)o2)nc2ccccc2c1=O 58223043 QNRIGWXSMNKKFM-LLVKDONJSA-N 359.451 3.501 0 40 FHAB COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)/C=C/c2cccc(F)c2)c1C 3309063 NPZQVZPJNZKCBY-XVJNWHFHSA-N 373.424 3.891 0 40 FHAB Cn1ccnc1[C@H](NC(=O)c1cc(F)ccc1F)c1ccc(Cl)cc1 21600974 PDQOGZYDNVRFHI-MRXNPFEDSA-N 361.779 3.871 0 40 FHAB CN(C)C(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 12755502 QTRKDABRFQIDLR-UHFFFAOYSA-N 366.368 3.716 0 40 FHAB COc1cc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc(OC)c1 12758783 DDIWRJDGXZWJRC-UHFFFAOYSA-N 363.417 3.631 0 40 FHAB Cc1sc2[nH]c(CNCc3ccco3)nc(=O)c2c1-c1ccccc1 58444809 SSYUHSWFTYSDGZ-UHFFFAOYSA-N 351.431 3.843 0 40 FHAB CC(C)c1csc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)n1 10635645 HBYIVKBYQKLDJD-UHFFFAOYSA-N 360.407 3.515 0 40 FHAB O=C(Nc1cc(F)ccc1F)C1CCN(C(=O)/C=C/c2ccccc2)CC1 12767045 GGNMPPDDSCRJER-RMKNXTFCSA-N 370.399 3.855 0 40 FHAB Cc1cc(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)nn1C(C)(C)C 36394853 AIRWJNPEPGUXCW-AWEZNQCLSA-N 368.481 3.786 0 40 FHAB CC(C)(C)NC(=O)CSc1nccn1-c1ccc(Br)cc1 10884607 UBDRUKFZVQEOPB-UHFFFAOYSA-N 368.300 3.642 0 40 FHAB CCCNC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc12 2447786 MPOOIXVJJWOOQY-UHFFFAOYSA-N 373.460 3.913 0 40 FHAB CC(=O)N1CCC(C(=O)OCc2ccccc2Cl)(c2ccccc2)CC1 28832557 PLOUEMHJYZRGNE-UHFFFAOYSA-N 371.864 3.964 0 40 FHAB CCC(C)(C)C1CCC(NC(=O)Cn2cccc(C(F)(F)F)c2=O)CC1 29007877 XHRPKDCHIHKWFG-UHFFFAOYSA-N 372.431 3.978 0 40 FHAB O=C(NCc1ccc(OC(F)F)cc1)[C@@H]1COc2ccc(Cl)cc2C1 11515669 BHRVVTHYLFAAFL-ZDUSSCGKSA-N 367.779 3.809 0 40 FHAB CCOCc1ccc(CNC(=O)CCOc2ccc(OCC)cc2)cc1 45848893 COUQMKMJPXJOQQ-UHFFFAOYSA-N 357.450 3.707 0 40 FHAB c1csc(CN2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)c1 306124394 BOMFDQSWGCVNIX-INIZCTEOSA-N 367.522 3.771 0 40 FHAB COc1cc(C(=O)OCc2nc3ccccc3nc2C)cc(Cl)c1OC 39569743 XKLPWIFGJDMKIV-UHFFFAOYSA-N 372.808 3.966 0 40 FHAB CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3[C@@H]2c2ccccc2)cc1 5155433 FDMOAZJYUFXHOK-IBGZPJMESA-N 361.401 3.645 0 40 FHAB Cn1c(-c2cccs2)nn(CN2CCC[C@@H](C(F)(F)F)C2)c1=S 14166341 JAPXWLGKWFSPJN-SNVBAGLBSA-N 362.446 3.911 0 40 FHAB O=C(NC1CCCCC1)[C@H]1CCCN(C(=S)Nc2ccccc2F)C1 65705946 OOKHTUUJXREDSS-AWEZNQCLSA-N 363.502 3.683 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)COc3c(C)cc(Cl)cc3C)ccc21 14200164 HGUHJCUQDDWSDO-UHFFFAOYSA-N 372.852 3.883 0 40 FHAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 6590101 ICVUHQWTNCQJBA-HUUCEWRRSA-N 367.430 3.668 0 40 FHAB COc1ccc(CNC(=O)C[C@@H](C)CC(=O)Nc2ccc(F)cc2)cc1 4690946 ZFWWGPFJTNSKJB-CQSZACIVSA-N 358.413 3.506 0 40 FHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[C@@H](C)c2ccccc2)c1 5636043 MDWRCOWIHUFFAJ-MRXNPFEDSA-N 374.506 3.849 0 40 FHAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1N1CCOCC1 6820811 WVYIUXBBGYLRMW-UHFFFAOYSA-N 364.367 3.723 0 40 FHAB C[C@@H](Nc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccccc1Cl 15172018 PTQPKNCMPZRVKI-CYBMUJFWSA-N 365.886 3.693 0 40 FHAB O=c1c2sccc2n(Cc2ccc(F)cc2F)c(=O)n1-c1ccccc1 67258022 FNHSGTCWPNBETB-UHFFFAOYSA-N 370.380 3.540 0 40 FHAB CCn1c(-c2ccc(Br)cc2)cnc1S[C@H]1CCOC1=O 7124495 NOFRTCPLQPBNID-ZDUSSCGKSA-N 367.268 3.740 0 40 FHAB Cc1ccc(-n2c(SCc3cc(C)on3)nnc2N2CCCC2)cc1 7256943 SJUUEUSJFAUVBI-UHFFFAOYSA-N 355.467 3.765 0 40 FHAB O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1ccc2c(c1)OCCO2 7424665 MQROKDDDFKIDME-UHFFFAOYSA-N 372.764 3.518 0 40 FHAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN=C1c1ccccc1 16780302 GTBGEVZSWPOWMC-UHFFFAOYSA-N 372.490 3.578 0 40 FHAB CCCCOc1ccc(C(=O)O[C@@H](CC)C(=O)Nc2cc(C)on2)cc1 16756813 SZCKLWWNGBXFBA-INIZCTEOSA-N 360.410 3.736 0 40 FHAB CCOc1cc(C(=O)Nc2ccccc2CO)cc(OCC)c1OCC 19897744 UWJKUQAJDWZYKS-UHFFFAOYSA-N 359.422 3.627 0 40 FHAB CC(C)c1nc2cc(NC(=O)[C@H]3CCCN3Cc3ccccn3)ccc2o1 72294368 WJFYMQURXIGQDP-GOSISDBHSA-N 364.449 3.949 0 40 FHAB CCC(CC)NC(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1 96626814 QJNDCMIZTBMLEC-GHRIWEEISA-N 367.478 3.705 0 40 FHAB Cn1cccc1[C@@H](O)CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 95454565 JVBWIINQDGOZEU-ICSRJNTNSA-N 355.869 3.681 0 40 FHAB Cc1cc(OCC(=O)N[C@@H]2CCO[C@H]2C2CC2)c(C(C)C)cc1Cl 89570349 QGWXLRLJMXKNFI-APWZRJJASA-N 351.874 3.834 0 40 FHAB CCCCOCCN(Cc1nc(C)no1)c1ccc(Br)cc1 75107771 GTRIXZZNRKHQKU-UHFFFAOYSA-N 368.275 3.964 0 40 FHAB O=C(Nc1cccc2cccnc12)N1CCCC[C@H]1[C@@H](O)C(F)(F)F 89808036 DRJOAOYQAMNNIN-DZGCQCFKSA-N 353.344 3.544 0 40 FHAB CC(C)NC(=O)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 408979739 RYBOQTFVWNMDFU-UHFFFAOYSA-N 369.428 3.892 0 40 FHAB CCN(CC)C(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 409383794 HPKHPKSCOJXGLN-UHFFFAOYSA-N 374.506 3.895 0 40 FHAB CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1 64947092 KLVUPMVTAWZESJ-UHFFFAOYSA-N 362.476 3.524 0 40 FHAB O=Cc1cc(Br)c(Sc2n[nH]c(Cc3ccccc3)n2)o1 408555987 YMPCTJHNPHUNQJ-UHFFFAOYSA-N 364.224 3.715 0 40 FHAB COc1ccc2c(c1)N(C(=O)c1csc(-c3ccccn3)n1)C[C@@H](C)O2 172720472 UBXUIFGANDUZSI-GFCCVEGCSA-N 367.430 3.641 0 40 FHAB CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1 408985391 LTAGKTHOLRLBKX-LJQANCHMSA-N 365.433 3.742 0 40 FHAB O=C(NC1CCCCCC1)[C@H]1CSCN1C(=O)OCc1ccccc1 408738397 SDDNCYYEIZWGSU-QGZVFWFLSA-N 362.495 3.537 0 40 FHAB CC(=O)N[C@H](CC(=O)N[C@@H](C)c1cccc(Cl)c1)c1cccs1 10081429 YBTHMCZNTNBRDT-XHDPSFHLSA-N 350.871 3.846 0 40 FHAB Clc1cc(CSc2nnc(NC3CC3)s2)cc2c1OCCO2 10028054 YHTOXNDDLFHCDQ-UHFFFAOYSA-N 355.872 3.829 0 40 FHAB COc1ccc(CN2C[C@@H](c3nc4cc(Cl)ccc4[nH]3)CC2=O)cc1 76556418 GQVLQXOLRYJSRF-ZDUSSCGKSA-N 355.825 3.741 0 40 FHAB COc1ccccc1[C@H](CNC(=O)[C@@H]1CCCC12CC2)N1CCCCC1 528069312 UNDWWUAHSDLSFZ-OALUTQOASA-N 356.510 3.919 0 40 FHAB CCOc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(Cl)cc2Cl)cc1 72228107 XNTCZJARRKATKW-HOTGVXAUSA-N 351.233 3.807 0 40 FHAB COc1ccc(-c2ccccc2)cc1N1C(=O)[C@@H]2C[C@H]1CN2CC(C)C 77322775 VUXWUSHVXKYRHR-ICSRJNTNSA-N 350.462 3.808 0 40 FHAB O=C(Cn1ccc(=O)c2cc(F)ccc21)Nc1ccc(C(F)(F)F)cc1 225750494 XSYXIEKVQIACPM-UHFFFAOYSA-N 364.298 3.798 0 40 FHAB Cc1ccc(CNC(=O)c2ccc(C)cc2I)cc1 225012321 DGDMSUHJIVMVFD-UHFFFAOYSA-N 365.214 3.838 0 40 FHAB COc1cccc(OCCNC(=O)CSCc2ccccc2Cl)c1 223403240 LQAMIHZFFVAAEO-UHFFFAOYSA-N 365.882 3.777 0 40 FHAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN(C)C)cc1 225689081 UMHFYTCIOBEAMF-HXUWFJFHSA-N 350.503 3.797 0 40 FHAB COc1ccc(CSCC(=O)NCCOc2ccccc2Cl)cc1 223431812 FNRUZEGHIVIPAS-UHFFFAOYSA-N 365.882 3.777 0 40 FHAB COc1ccc(Br)cc1C(=O)n1cc(CO)c2ccccc21 226367194 AQYJMWVIGNQFTB-UHFFFAOYSA-N 360.207 3.593 0 40 FHAB CCCC[C@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2ON1c1ccccc1 96900723 TYGWXDDSOQBXNU-ZCNNSNEGSA-N 364.445 3.864 0 40 FHAB CC(C)(C)c1ccc(OCc2nc([C@@H](N)Cc3ccccc3)n[nH]2)cc1 95534919 CNDXPFFCJWKQOP-SFHVURJKSA-N 350.466 3.924 0 40 FHAB CN(C)CCN(C(=O)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1 91695600 KPZVXKUQBAEFQM-UHFFFAOYSA-N 371.790 3.962 0 40 FHAB O=C1C[C@]2(CC[C@H]3[C@H]2[C@@H]3C(=O)NCc2ccccc2F)Oc2ccccc21 247850589 GXBAPDJCFYVWNO-DZUANBCISA-N 365.404 3.502 0 40 FHAB CC(C)[C@@H]1CN(S(=O)(=O)Cc2noc3ccccc23)c2ccccc21 584033428 ASWWAMCIDJQMKL-INIZCTEOSA-N 356.447 3.917 0 40 FHAB Cc1cnc([C@H]2CCCN(C(=O)CCc3nc4ccccc4[nH]3)C2)s1 257275096 NNWRKXRPKAMLLI-AWEZNQCLSA-N 354.479 3.667 0 40 FHAB CO[C@](C)(C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1)C1CC1 260812604 HPNWLUCIFZUJJA-IERDGZPVSA-N 360.498 3.693 0 40 FHAB O=C(N[C@@H](C1CCCCC1)C(F)(F)F)N[C@@H]1CCO[C@H]1c1cccnc1 623087196 DWQDAXQRJFDEML-PMPSAXMXSA-N 371.403 3.722 0 40 FHAB Cc1cccc(N2CCC(O)(CN3CCC[C@H]4OC(C)(C)CC[C@H]43)CC2)c1 585284673 HZAOSAABLPLBLS-NHCUHLMSSA-N 372.553 3.748 0 40 FHAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)NCc1cc2ccccc2[nH]1 58421648 KLKBZGFCLVCJCT-UHFFFAOYSA-N 372.350 3.853 0 40 FHAB COc1cccc([C@H](CNC(=O)NC23CC4CC(CC(C4)C2)C3)OC)c1 96390681 OGWPMJMJFYFTNS-IXYLRAAXSA-N 358.482 3.651 0 40 FHAB Cc1ccc(NC(=O)c2ccc(CSc3n[nH]c(N)n3)cc2)c(C)c1 5578357 ILTVRJFLRUACHO-UHFFFAOYSA-N 353.451 3.548 0 40 FHAB Cc1ccccc1-c1cc(C[C@]2(C(=O)O)CCCN(C(=O)C(C)C)C2)on1 12366464 DZMSGQUFEVZXAW-OAQYLSRUSA-N 370.449 3.542 0 40 FHAB Nc1c(C(=O)N2CCCC2)sc(=S)n1-c1ccc(F)c(Cl)c1 12416096 SVRPXHYEWPTEJN-UHFFFAOYSA-N 357.863 3.879 0 40 FHAB O=S(=O)(Cc1cccc(Cl)c1)NCCSCc1ccccc1F 13669666 KIWGJXUPUITPBX-UHFFFAOYSA-N 373.902 3.832 0 40 FHAB Cc1cc(C(=O)Nc2ccc(Br)cc2)c2c(C)nn(C)c2n1 14898308 FIEKQGGLFCTBQI-UHFFFAOYSA-N 359.227 3.600 0 40 FHAB CC(C)NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 17300376 YLQLAVWWBUMRFQ-UHFFFAOYSA-N 374.506 3.530 0 40 FHAB Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3Cc2cccc(Cl)c2)on1 19120027 WHIZPPXDARZCLI-INIZCTEOSA-N 370.840 3.689 0 40 FHAB Cc1nc2cccnc2n1C1CCN(Cc2cccc3nccnc23)CC1 19286767 QMHUAZXIAIUEDZ-UHFFFAOYSA-N 358.449 3.520 0 40 FHAB C#CCOc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OC 6324887 CWSBLKIPFCJEGX-KDWIEBRMSA-N 372.490 3.796 0 40 FHAB Cc1cc(OC2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc(=O)o1 206974254 VFCNKUHRJVCUEL-UHFFFAOYSA-N 369.461 3.929 0 40 FHAB Cc1cc(/C=C/C(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)n1C1CC1 7131003 PQFBLWONFUKGIZ-XCVCLJGOSA-N 367.468 3.941 0 40 FHAB CC1(C)C[C@@H]2CN(C(=O)c3ncccc3F)CC[C@@H]2N1c1ccc(F)cc1 2037988397 DJVSQSUPGOIUDY-KDOFPFPSSA-N 371.431 3.879 0 40 FHAB CC(C)c1ccc(NC(=O)CSc2ccc(NC(=O)C3CC3)nn2)cc1 13701985 YZDHMMJODOOGGD-UHFFFAOYSA-N 370.478 3.679 0 40 FHAB CC(C)n1nccc1-c1nnc(NC(=O)/C=C/c2ccccc2Cl)o1 36701455 YAHZEYPTFKWNAR-BQYQJAHWSA-N 357.801 3.819 0 40 FHAB CN(C)[C@@H](CNC(=O)NCc1ccc(F)cc1)c1cc2ccccc2o1 575619992 HIIOVRQNKBICCB-KRWDZBQOSA-N 355.413 3.674 0 40 FHAB O=C(NCc1ccnc(OCc2ccccc2)c1)[C@@H]1COc2ccccc2C1 40106791 LSENQOYPRGANLC-FQEVSTJZSA-N 374.440 3.528 0 40 FHAB CCN(CC)c1ccc(NC(=O)Nc2ccc(N(CC)CC)nc2)cn1 40158813 OHGWDGUZWPFCRT-UHFFFAOYSA-N 356.474 3.813 0 40 FHAB Cc1cccc(Cc2cnc(NC(=O)[C@H](C)NC(=O)C3CCCC3)s2)c1 40145138 DFLPRYVEXZRWBM-AWEZNQCLSA-N 371.506 3.676 0 40 FHAB CCCOc1ccc([C@@H](C)NC(=O)c2cnc(C)cn2)cc1OCCC 32504470 SCQFJUQHPABYPY-OAHLLOKOSA-N 357.454 3.854 0 40 FHAB Cc1ccc(OC(=O)C2CCC(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)CC2)cc1 102086969 UKMCVZAYRRNQTQ-VHZYLWGESA-N 369.461 3.634 0 40 FHAB CC(=O)c1cc(CCC(=O)OCc2cn3cc(Cl)ccc3n2)oc1C 29743429 MEJMWGUOYSTZBQ-UHFFFAOYSA-N 360.797 3.768 0 40 FHAB O=C(NC1CCSCC1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 60337749 NQXWNVGDVRPYKR-UHFFFAOYSA-N 355.385 3.517 0 40 FHAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)CC)cc2c1 1366946 WULZMBKIIHRMKY-UHFFFAOYSA-N 364.445 3.866 0 40 FHAB CCCOc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCC1 8561017 QUKPSAIZWOUHPY-UHFFFAOYSA-N 352.434 3.964 0 40 FHAB Cc1cc(OCn2ccc(C(=O)Nc3ccncc3)n2)cc(C)c1Cl 2797802 AXPCTNFRLMAAFM-UHFFFAOYSA-N 356.813 3.837 0 40 FHAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)[C@H]1CCCO1 32900597 NHLBMBOJGKPFJO-DNVCBOLYSA-N 352.434 3.637 0 40 FHAB O=C1OCC2=C1[C@H](c1ccc3c(c1)OCO3)c1c(ccc3ccccc13)N2 4930163 BUNXWJURMDKAJL-LJQANCHMSA-N 357.365 3.937 0 40 FHAB c1ccc(-c2nc3c4ccccc4nc(NCc4cccnc4)n3n2)cc1 6803035 FFUWNLJNVFWJJE-UHFFFAOYSA-N 352.401 3.952 0 40 FHAB O=C(CSCc1ccc(Cl)cc1)NC[C@H]1COc2ccccc2O1 7454394 RRMNNKLYNOXMRU-HNNXBMFYSA-N 363.866 3.529 0 40 FHAB Cc1cccc(OCC(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1 7723948 SCPBXJWYPOIQSJ-UHFFFAOYSA-N 360.841 3.503 0 40 FHAB COC(=O)[C@@H](C)Sc1nnc(-c2cccc(C)c2)n1-c1ccccc1 7814510 YHOWPXJKXSIFFX-CQSZACIVSA-N 353.447 3.896 0 40 FHAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)c1 8040799 FLUOSYFWBWCCTR-MRXNPFEDSA-N 354.450 3.848 0 40 FHAB Cc1ccccc1OCc1nnc(SCC(=O)c2ccccc2)n1C 679539 LQRPNUTXLMDAPN-UHFFFAOYSA-N 353.447 3.678 0 40 FHAB COc1ccc(-c2cc(-c3nn4c(-c5ccccc5)nnc4s3)n[nH]2)cc1 12323610 GGVDEMIDNIIPBI-UHFFFAOYSA-N 374.429 3.919 0 40 FHAB CCOC(=O)c1cnc(Nc2nc(C)c3cc(CC)ccc3n2)nc1C 20634051 MAZRUZLIKLUJCC-UHFFFAOYSA-N 351.410 3.519 0 40 FHAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 800599 USTKHOXPPAJSSI-ZDUSSCGKSA-N 358.825 3.730 0 40 FHAB CCOC(=O)[C@@H](C)n1cnc2sc(C)c(-c3ccc(F)cc3)c2c1=O 807852 QOAQHWBCIDQXOL-SNVBAGLBSA-N 360.410 3.697 0 40 FHAB O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 840852 JWYRNHDQEDZHPY-NTEUORMPSA-N 370.474 3.513 0 40 FHAB CCN(CC)[C@H](CNC(=O)c1cccc(COC)c1)Cc1ccccc1 29918219 XXCKLTWSHZOTNG-NRFANRHFSA-N 354.494 3.516 0 40 FHAB CCOC(=O)[C@@]1(Cc2ccccc2)C(=O)Nc2cc(C(F)(F)F)ccc21 984162 WWWXNRRSFVPGTN-GOSISDBHSA-N 363.335 3.701 0 40 FHAB O=C(NCc1ccco1)c1cccc(CSC(=S)N2CCCC2)c1 54914002 OCPLFGWIHLHAGK-UHFFFAOYSA-N 360.504 3.824 0 40 FHAB O=C(c1ccc(O)cc1)C1CCN(C(=O)c2ccc3ccccc3n2)CC1 24865258 QMTJCEIXFURHKC-UHFFFAOYSA-N 360.413 3.676 0 40 FHAB Cc1ccc(-c2nc(C)c(C(=O)NC[C@H]3Cc4ccccc4O3)s2)o1 25152788 DNWLRHARVOYBRZ-CQSZACIVSA-N 354.431 3.753 0 40 FHAB C[C@]12CO[C@]3(C(=O)Nc4ccccc4Br)C[C@@H]1CC[C@]23C 100983366 ODTQSVJTRLNQCN-UQCMEYCASA-N 350.256 3.983 0 40 FHAB COc1ccc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1N1CCCCC1=O 107332404 QETVSPSQQPBOKN-HRCADAONSA-N 356.466 3.977 0 40 FHAB C[C@H](NC(=O)NCc1ccnc(N2CCCC2)c1)c1ccc(Cl)cc1 26303468 RIYARLZMNZTGFH-AWEZNQCLSA-N 358.873 3.896 0 40 FHAB CN(C)Cc1cccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c1 57207767 WXJAQAFJAYBMFX-UHFFFAOYSA-N 356.441 3.574 0 40 FHAB CCN(C(=O)CN1CCc2sccc2C1)c1nc2ccccc2s1 57432314 HLWVRUZSGGDQPM-UHFFFAOYSA-N 357.504 3.769 0 40 FHAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc3ccccc3c2)c1 3219267 LTWCACNRYXFHRO-UHFFFAOYSA-N 365.385 3.653 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)N[C@@H](C)CCc1ccccc1 58173101 SGNYCZBGPHMGTI-AWEZNQCLSA-N 355.438 3.796 0 40 FHAB CC(C)C[C@@H](CNC(=O)NCc1ccncc1)N[C@H](C)c1ccccc1 72289618 XCKBBVGNAKUILG-XLIONFOSSA-N 354.498 3.646 0 40 FHAB Cc1noc(C)c1CCC(=O)Nc1ccnn1Cc1ccccc1Cl 10214471 HYBPIOIWGSVVAM-UHFFFAOYSA-N 358.829 3.761 0 40 FHAB Cc1nc(C(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)cs1 58428650 FFJAVDIWTDUODU-SFHVURJKSA-N 362.458 3.858 0 40 FHAB Cc1cccc(S(=O)(=O)Nc2cc(C(C)(C)C)no2)c1Br 178742856 RTFIOVQNUYVLCZ-UHFFFAOYSA-N 373.272 3.844 0 40 FHAB O=C(CCc1ccccc1Cl)N1CCC[C@@H]1c1nnc2n1CCCCC2 36397203 LIANVPHTAPIRHJ-QGZVFWFLSA-N 372.900 3.954 0 40 FHAB Cc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1C 12771958 KAJURNRSGYORGD-UHFFFAOYSA-N 367.474 3.661 0 40 FHAB O=C(NCc1ccccc1F)c1nn(-c2ccc(F)cc2)c2c1CCC2 11403149 XKDLINNTFONJQR-UHFFFAOYSA-N 353.372 3.569 0 40 FHAB O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1ccc2c3c(cccc13)CC2 12820218 FKYPKTMQMSVZHR-UHFFFAOYSA-N 372.346 3.758 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cccc(C(F)(F)F)c2)c1C 3587632 BLBLRYMGHAPOTO-UHFFFAOYSA-N 367.323 3.893 0 40 FHAB Cc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2)no1 5303985 GHFGFRYJOHMNCN-GOSISDBHSA-N 358.353 3.839 0 40 FHAB CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3ccoc3)n2)cc1 14140378 MJOBJDOUHBINBP-UHFFFAOYSA-N 369.446 3.724 0 40 FHAB O=C(C[C@H]1C=CCC1)Nn1cnc2scc(-c3ccccc3)c2c1=O 14226712 VGDBTATYNUJEJV-ZDUSSCGKSA-N 351.431 3.551 0 40 FHAB Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2OC3)cc1 5576536 OPCMVESKYARHIJ-KRWDZBQOSA-N 354.772 3.542 0 40 FHAB COc1cc(NC(=O)c2ccc(C(F)(F)F)cc2)cc(OC)c1OC 5577471 WKMUYJGDQRUJIK-UHFFFAOYSA-N 355.312 3.984 0 40 FHAB CCC[C@@]1(c2ccccc2)NC(=O)N(CCOc2ccc(Cl)cc2)C1=O 6627402 LAJMPXOEYYSKDZ-FQEVSTJZSA-N 372.852 3.966 0 40 FHAB COC(=O)c1ccccc1NC(=O)Cc1csc(-c2cccs2)n1 8980943 DJBPMYOCCPYXLT-UHFFFAOYSA-N 358.444 3.839 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)c1cccc(NC(=O)c2cccs2)c1 7125049 HMUPWUDSDIPTKU-UHFFFAOYSA-N 366.398 3.981 0 40 FHAB CC(=O)N[C@@H](CC(=O)N1CCCCC[C@@H]1c1cccn1C)c1cccs1 67510112 GRJKKEGHUYOUAE-FUHWJXTLSA-N 373.522 3.798 0 40 FHAB CC[C@@H](C(=O)OCc1ccccc1)n1nnc(-c2ccc(Cl)cc2)n1 16288510 JMWJANZEEVUXHP-INIZCTEOSA-N 356.813 3.688 0 40 FHAB Cc1ccc2nc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)sc2c1 8216485 PLSJFSHVBXQZNM-ZDUSSCGKSA-N 351.431 3.596 0 40 FHAB CCN(C(=O)[C@@H](C)Sc1nnnn1C1CC1)c1cccc2ccccc12 8346205 SNQGFXBGEJRSPI-CYBMUJFWSA-N 367.478 3.695 0 40 FHAB COc1ccc(CN(C)S(=O)(=O)c2ccc(C(C)C)cc2)cc1OC 8428649 CANIUZAGJNDPJL-UHFFFAOYSA-N 363.479 3.648 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc(OC)c1 22523040 XRMGVBPZYLAUEA-SFHVURJKSA-N 357.406 3.668 0 40 FHAB O=C(c1ccc(Br)o1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 9421348 KJIQFFZWPDYPCX-GFCCVEGCSA-N 360.211 3.896 0 40 FHAB C[C@@](O)(CNC(=O)c1ccccc1Br)c1ccccc1Cl 97143439 GNAFAVYGAFUMPL-MRXNPFEDSA-N 368.658 3.740 0 40 FHAB Nn1c(SCc2nc3cc(Cl)ccc3[nH]2)nnc1-c1ccc(F)cc1 97165093 XSXDTMQWRYWYAU-UHFFFAOYSA-N 374.832 3.620 0 40 FHAB CCOc1ccc(CNCCNc2ncc(Cl)cc2Cl)cc1OC 72310925 INMHNAIKMXXFBM-UHFFFAOYSA-N 370.280 3.997 0 40 FHAB CC[C@H]1c2ccsc2CCN1C(=O)CN1CCCc2sccc2C1=O 89949343 MEELYLKHVCUIBI-HNNXBMFYSA-N 374.531 3.734 0 40 FHAB CC[C@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1cc2c(s1)CCSC2 89948284 ZOKVXILGGWLEMD-JSGCOSHPSA-N 367.536 3.874 0 40 FHAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(-n2ccnc2)cc1 20109133 DIJMWXUEWSKCDE-GOSISDBHSA-N 369.852 4.000 0 40 FHAB Cc1nc(CN(C)C2CCCCC2)nc2c1CCC(=O)N2CCC(C)C 72370994 YFMUCMVRTSBMAR-UHFFFAOYSA-N 358.530 3.875 0 40 FHAB COc1cccc(CNC(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 31043120 WUOSVHMQUGXOMO-AWEZNQCLSA-N 367.449 3.604 0 40 FHAB O=C(Cc1cnc(-n2cccc2)s1)Nc1ccc(Br)cc1 32074466 SADCHWDDVHGXFF-UHFFFAOYSA-N 362.252 3.878 0 40 FHAB Cc1ccc(C)c(N2CCN(C(=O)c3cn[nH]c3-c3ccccc3)CC2)c1 72328631 GODXTTRQJCXJOS-UHFFFAOYSA-N 360.461 3.656 0 40 FHAB Cc1ccc([C@H](C)NC(=O)c2cccc(CN3CCOCC3)c2)cc1C 219247255 FXAHJCRJCVSHRX-SFHVURJKSA-N 352.478 3.627 0 40 FHAB COc1ccc(-c2noc(CN(C)C(=S)Nc3ccc(C)cc3)n2)cc1 225456228 ZMNXWNUQXOVJGY-UHFFFAOYSA-N 368.462 3.882 0 40 FHAB CCOC1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OC)c2)CCCC1 225828580 FCVHKTBZBIFCFB-UHFFFAOYSA-N 363.454 3.796 0 40 FHAB Cc1ccc(NC(=S)NC2CCN(Cc3ccccn3)CC2)cc1C 44222065 BJPNUBCRPWHEED-UHFFFAOYSA-N 354.523 3.649 0 40 FHAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1nc(-c2cccs2)no1 222973991 WZMBNSFMNLPKPC-CQSZACIVSA-N 371.462 3.889 0 40 FHAB CCOC(=O)c1cc(NC(=O)C2(OC)CCC(C)CC2)ccc1OCC 225810636 OYYNFPJWBWEPII-UHFFFAOYSA-N 363.454 3.796 0 40 FHAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1 222900022 YHDHLLYAYZKGME-OAQYLSRUSA-N 366.505 3.604 0 40 FHAB Cc1ccc(CSCCNS(=O)(=O)c2ccc(F)c(C)c2)cc1 225601892 WJLNZQOKDMFGPJ-UHFFFAOYSA-N 353.484 3.654 0 40 FHAB CCCc1ccc(OCCNC(=O)[C@H](C)Oc2ccc(OC)cc2)cc1 224155976 LVJDHHOODAVSMQ-INIZCTEOSA-N 357.450 3.610 0 40 FHAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C)c1 224538810 OYCRHGNMFQQLHK-MOPGFXCFSA-N 364.474 3.606 0 40 FHAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](C)COc2ccc(OC)cc2)cc1 222892582 FUGMSRODRWRERR-KKSFZXQISA-N 371.477 3.999 0 40 FHAB CC1=C(N)C2(CCCCC2)N(Cc2c(F)cccc2Cl)S1(=O)=O 222555173 HQCRUNBDABPCNZ-UHFFFAOYSA-N 358.866 3.518 0 40 FHAB c1ccc2oc(-c3nnc4sc(-c5ccc6c(c5)OCO6)nn34)cc2c1 96193990 SEMPWDOBCKCWKC-UHFFFAOYSA-N 362.370 3.995 0 40 FHAB CC(C)(CNC(=O)[C@@]1(C)CC(c2ccccc2F)=NO1)c1ccccc1F 141567327 BDIDZCGJJXFDRU-OAQYLSRUSA-N 372.415 3.942 0 40 FHAB COc1ccc(CN2CCC3(CCCN3C(=O)c3ccco3)CC2)cc1 96049332 BZOLESGKHAYVHO-UHFFFAOYSA-N 354.450 3.559 0 40 FHAB O=C(c1ccsc1)N1Cc2cccn2[C@H](CCOCC2CCOCC2)C1 247860632 MMCHQZOAURVCNP-LJQANCHMSA-N 374.506 3.580 0 40 FHAB CCOc1cc(-c2cc(-c3ccc(O)c(OCC)c3)n(C)n2)ccc1O 257207474 BHXYENHAYQWYGK-UHFFFAOYSA-N 354.406 3.963 0 40 FHAB COc1ncccc1C(=O)N1CCC[C@H](Cc2cnc3ccccc3c2)C1 257320845 VYVFGXZEBXFSKD-MRXNPFEDSA-N 361.445 3.733 0 40 FHAB Cn1nc(CNC(=O)Nc2ccc(Cl)c3ncccc23)cc1C1CC1 1658834423 IEMKGLQPOHMFQS-UHFFFAOYSA-N 355.829 3.821 0 40 FHAB c1cc(OCCN2CCCC2)ccc1CN1CCC[C@H]1[C@H]1CCCOC1 648047867 FRIJGIHJSVHUPX-UNMCSNQZSA-N 358.526 3.552 0 40 FHAB CCN(CC)Cc1ccc(-c2nnc(-c3cnc4onc(C)c4c3)o2)o1 1328292366 RYGPBRMXLGEQIU-UHFFFAOYSA-N 353.382 3.683 0 40 FHAB O=C(NCC[C@@H]1CCc2ccccc2N1)c1cnn2cccc(Cl)c12 662583521 KANAJXGOORKFDZ-AWEZNQCLSA-N 354.841 3.535 0 40 FHAB Cn1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21 2337218 VKUYYHCIRVAKOQ-SXGWCWSVSA-N 351.793 3.929 0 40 FHAB CCOc1ccc(-c2nnc(SCC(=O)NCc3ccccc3)o2)cc1 5169824 QEMLYUZYAAIMGU-UHFFFAOYSA-N 369.446 3.544 0 40 FHAB Cc1cnc(-c2nc(N3CCCCC3)ncc2-c2onc(C)c2C)cn1 12156256 VBUTTZLBRAOTGR-UHFFFAOYSA-N 350.426 3.504 0 40 FHAB Cc1ccc(-c2cc(CNC(=O)c3cc4ccccc4oc3=O)no2)cc1 12636030 IBDFMSPJAMLSLS-UHFFFAOYSA-N 360.369 3.686 0 40 FHAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2ccccc2Br)C1 13671166 OCFAFQONPGNIGR-ZIAGYGMSSA-N 353.304 3.547 0 40 FHAB CCOc1ccccc1NC(=O)C1=NN(c2cccc(C)c2)C(=O)CC1 15657261 FCSPJRCDANTDNL-UHFFFAOYSA-N 351.406 3.515 0 40 FHAB CC(=O)Nc1cc2ccccc2nc1C1CCN(C(=O)c2cccnc2)CC1 19022252 OKBRPCJMMONFHD-UHFFFAOYSA-N 374.444 3.608 0 40 FHAB C[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)c(N3CCOCC3)s2)C1 19496473 IWCXQFXRFCXRAY-HNNXBMFYSA-N 371.506 3.519 0 40 FHAB COc1cc(C(N)=O)cc(Cl)c1OCc1cccc(Br)c1 226326538 PXSQYSUHUMBKQI-UHFFFAOYSA-N 370.630 3.789 0 40 FHAB Cc1cc(C(=O)N2CC[C@H](COc3cccc(C(F)(F)F)n3)C2)c(C)o1 1888853808 VLRHFFCCCNORMO-ZDUSSCGKSA-N 368.355 3.851 0 40 FHAB CCNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12 25777862 NNOUVACCRVDMLL-UHFFFAOYSA-N 354.479 3.622 0 40 FHAB CC1(C)C[C@@H]2CN(C(=O)CC(F)(F)F)CC[C@@H]2N1c1cccc(F)c1 2037989007 RAGHVDDFTGDRFA-DOMZBBRYSA-N 358.379 3.984 0 40 FHAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc3c(C)cccc3s2)cc1 2940401 DGSMOAMAXNREPN-UHFFFAOYSA-N 374.487 3.716 0 40 FHAB COc1cccc(C(=O)Nc2nnc(-c3ccc(C)cc3)s2)c1OC 4079020 KBFKCYGOASXKKT-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB COC(=O)N[C@@H](C)c1nc2ccccc2n1CCOc1cccc(OC)c1 10381633 OKODPXXWCQFQEX-AWEZNQCLSA-N 369.421 3.541 0 40 FHAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)C3CCCCC3)cc21 17286426 JWHQKAXTQYSSTG-UHFFFAOYSA-N 364.511 3.698 0 40 FHAB CC(=O)c1ccc(NC(=O)Cn2c(-c3ccccn3)nc3ccccc32)cc1 23144100 VPVCGYUKPCLVQO-UHFFFAOYSA-N 370.412 3.940 0 40 FHAB O=C(NC[C@@](O)(c1cccs1)C1CC1)c1csc(-c2ccccc2)n1 206699892 HOFPOJYQGUZDPV-IBGZPJMESA-N 370.499 3.899 0 40 FHAB CCN(CC)CCOC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 1664910 QXTBLOXGYKAAAG-UHFFFAOYSA-N 355.438 3.829 0 40 FHAB CCOC(=O)[C@H](C)Sc1ncnc2c1cnn2-c1ccc(Cl)cc1 4341670 UIWPAJNHYLTDKX-JTQLQIEISA-N 362.842 3.513 0 40 FHAB C[C@@H]1CCc2c(sc(NC(=O)Cc3ccc(Cl)s3)c2C(N)=O)C1 10060956 RCDCXADGBHOJID-MRVPVSSYSA-N 368.911 3.868 0 40 FHAB CCOc1cc(/C=C2/SC(=N)NC2=O)ccc1OCc1ccccc1F 40007244 RUDQWCGZJHRXKX-LICLKQGHSA-N 372.421 3.942 0 40 FHAB Cc1noc2ncc(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)cc12 30924354 DZWWHMSEHGVLNO-UHFFFAOYSA-N 351.362 3.825 0 40 FHAB Cc1cccc(N2CCN(CC[C@H](C)NC(=O)Nc3ccccc3)CC2)c1 31098659 TWLDYNMTFACNIV-IBGZPJMESA-N 366.509 3.717 0 40 FHAB CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1ccc2nc(C)c(C)nc2c1 32741748 OFUGTYPTCFFMIX-DOTOQJQBSA-N 369.465 3.583 0 40 FHAB C[C@H](NC(=O)Cc1coc(-c2ccccc2)n1)c1ccc2c(c1)OCCO2 32836550 XOPUBZVWGUZLIN-AWEZNQCLSA-N 364.401 3.533 0 40 FHAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)NCCNC(=O)c1ccccc1 32802984 MQSSRZIMUXLPNQ-UHFFFAOYSA-N 367.493 3.556 0 40 FHAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1F 3322930 LKILPKUTRWJUAX-UHFFFAOYSA-N 355.196 3.891 0 40 FHAB Cc1ccccc1C(=O)Nc1ncc2c(n1)C[C@H](c1ccccc1)CC2=O 4777178 FPCMQDXIRXFBQC-INIZCTEOSA-N 357.413 3.950 0 40 FHAB CN(Cc1cccc(F)c1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 33000173 VFGJOFAOVXFXDJ-UHFFFAOYSA-N 369.440 3.728 0 40 FHAB Cc1cc(C)c(COc2ccc([C@@H]3N[C@@H](C(=O)O)CS3)cc2)c(C)c1 6418514 YFVUJXOVGOUYJJ-RTBURBONSA-N 357.475 3.979 0 40 FHAB CCN(CC)Cc1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1 6629869 XYXXEFSDSAYLGE-UHFFFAOYSA-N 355.507 3.584 0 40 FHAB Cc1ccc(S(=O)(=O)N2[C@H]3C=C[C@@H](C3)[C@@H]2C(Cl)(Cl)Cl)cc1 100567890 KOPDSVZGKUSECV-GMXVVIOVSA-N 366.697 3.683 0 40 FHAB Cc1noc(C(C)C)c1C(=O)NCc1ccc(OCC(F)(F)F)cc1 22469045 IUEJDYCDMOWJPY-UHFFFAOYSA-N 356.344 3.978 0 40 FHAB O=C(NCCOc1ccc2ccccc2c1)c1ccc(N2CCCC2=O)cc1 10993069 MFDPSFVWFYIHOJ-UHFFFAOYSA-N 374.440 3.775 0 40 FHAB CC(C)OC(=O)C1=C(N)S[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 705855 BSLGUYDUCVWHIZ-VQIMIIECSA-N 367.470 3.890 0 40 FHAB COc1ccccc1CNCc1cc(OC)c(OC)cc1Br 22772984 VPTWHOQFSBMNKY-UHFFFAOYSA-N 366.255 3.765 0 40 FHAB COc1cccc(NC(=O)[C@@H](C)Cn2nc(C)c(Br)c2C)c1 2796251 VKGZQWJULRINMH-JTQLQIEISA-N 366.259 3.546 0 40 FHAB Cc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCSCC2)cc1 57613880 KOSBCSFWBWHETH-GOSISDBHSA-N 357.527 3.625 0 40 FHAB Cc1sc2nc(CN3CCOCC3)nc(N(C)C3CCCCC3)c2c1C 23817805 GBRLXNILGCYTOD-UHFFFAOYSA-N 374.554 3.909 0 40 FHAB COc1ccc(COC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)cc1OC 54858731 MBXAAGCFFYSGMB-UHFFFAOYSA-N 358.438 3.890 0 40 FHAB Cc1nc(C2(NC(=O)c3ccc(-c4ccccc4F)o3)CCCC2)no1 55552944 JZCSULCEJHMSDW-UHFFFAOYSA-N 355.369 3.976 0 40 FHAB CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2OC)cc1Cl 20030010 JIKHBTVOVAJJQF-GFCCVEGCSA-N 369.870 3.787 0 40 FHAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc2[nH]c3c(c2c1)CCCCC3 25907083 DABZIQUXAQPUTH-ZDUSSCGKSA-N 365.433 3.787 0 40 FHAB O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccncc1 57622086 BMTMHZQTFFYOBR-UHFFFAOYSA-N 372.472 3.656 0 40 FHAB O=C(Nc1ccc2c(c1)CCC2)c1c[nH]nc1-c1ccc2c(c1)OCCO2 10192003 FGWUFRIHEYVEBH-UHFFFAOYSA-N 361.401 3.589 0 40 FHAB CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1C 58201791 GENBPYUSBOZQDE-UHFFFAOYSA-N 352.843 3.662 0 40 FHAB CCN(C(=O)C[C@@H](NC(N)=O)c1cccs1)[C@@H](C)c1ccc(F)cc1 58244113 AJMZYIZHQXOVKJ-SWLSCSKDSA-N 363.458 3.596 0 40 FHAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccsc1 12608767 KUTSARNUQWCXOX-UHFFFAOYSA-N 366.442 3.939 0 40 FHAB Cc1nc(COc2ccc(C(=O)Nc3ccc4oc(C)nc4c3)cc2)no1 10321302 IQEGFUJDVXVXAH-UHFFFAOYSA-N 364.361 3.659 0 40 FHAB COC(=O)c1sc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)nc1C 58392129 AJPVFCFLMDGMBQ-GHMZBOCLSA-N 350.827 3.634 0 40 FHAB Cc1nnc(SC[C@@H](O)COc2ccc(C(C)(C)C)cc2)n1C1CC1 58440037 KOQHJNIBJUDIJK-INIZCTEOSA-N 361.511 3.751 0 40 FHAB Cc1oc(-c2ccccc2)nc1CCNC(=O)[C@]1(C)CC1(Cl)Cl 58432510 XXLPBRHMKKYZMA-INIZCTEOSA-N 353.249 3.893 0 40 FHAB CC(=O)Nc1cccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 10544656 FPLOHZHKXNDGPG-INIZCTEOSA-N 362.433 3.541 0 40 FHAB CCCc1nc2oc3c(NCCCN(C)C)ncnc3c2c2c1CCCC2 2230001 FJSUZCLTFNBECS-UHFFFAOYSA-N 367.497 3.966 0 40 FHAB Cc1cccc(OCCC(=O)NCc2cccc(NC(=O)C(C)C)c2)c1C 24869068 IKBNKXGZATWWKU-UHFFFAOYSA-N 368.477 3.983 0 40 FHAB CC(C)N(C(=O)COC(=O)CCC(=O)c1cccs1)c1ccccc1 3322143 NZZZOWJYUFLVEY-UHFFFAOYSA-N 359.447 3.696 0 40 FHAB CCOC(=O)c1ccccc1C(=O)c1ccc(CN2CCSCC2)cc1 58979972 WZBXHPUVVQVIBG-UHFFFAOYSA-N 369.486 3.643 0 40 FHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)COc1ccc(Cl)cc1 11083361 RODLLUJMBPKQIE-UHFFFAOYSA-N 369.852 3.622 0 40 FHAB COc1ccccc1[C@@H]1[C@@H](C(=O)N(C)C)CCC(=O)N1c1ccc(C)cc1 28619445 QVNZTUWCQSKQDI-GHTZIAJQSA-N 366.461 3.576 0 40 FHAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccccc1Br 12767102 PJHRVCMWIWRAMR-UHFFFAOYSA-N 362.223 3.792 0 40 FHAB Cc1oc(-c2cccs2)nc1CC(=O)N(C)Cc1nc2ccccc2[nH]1 29333573 ZXWAYWSDIXWHLC-UHFFFAOYSA-N 366.446 3.789 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)Cc1ccc2c(c1)OCCO2 12926933 CATAXSCOTJTMED-CQSZACIVSA-N 374.868 3.879 0 40 FHAB C[C@@H]1C[C@H](Sc2nc(-c3ccc(Br)cc3)c[nH]2)C(=O)O1 8719970 ZKXUQITTWSLOJL-PELKAZGASA-N 353.241 3.635 0 40 FHAB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(C)cc2)N2C(=O)[C@@H](C)SC2=N1 3904333 WJQXZXCWWWSKHR-RHSMWYFYSA-N 372.490 3.843 0 40 FHAB O=C(OCc1cc(-c2cccs2)on1)c1ccccc1N1CCOCC1 64196451 JOLLADNKHXYPJJ-UHFFFAOYSA-N 370.430 3.597 0 40 FHAB c1ccc2c(-c3nn4c(CN5CCCCCC5)nnc4s3)c[nH]c2c1 49546904 ZAUJLBQVXTUHBU-UHFFFAOYSA-N 352.467 3.710 0 40 FHAB CNC(=O)c1ccc(CN(C)c2nc(C(F)(F)F)nc3ccccc23)cc1 70793107 KKEZWYJGPJUJFV-UHFFFAOYSA-N 374.366 3.645 0 40 FHAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@@H](c2ccncc2)N1 5071898 IHRYZVCTAUDJSQ-HXUWFJFHSA-N 367.412 3.880 0 40 FHAB COc1ccc(-c2nn3c(-c4ccc(N(C)C)cc4)nnc3s2)cc1 5349079 QIUGEBJARMJQBV-UHFFFAOYSA-N 351.435 3.594 0 40 FHAB Cc1ccc(OCCc2nc3ccc(Br)cc3c(=O)[nH]2)cc1 14246099 QYTXWMUAIRZSJF-UHFFFAOYSA-N 359.223 3.616 0 40 FHAB CCc1ccc2c(COC(=O)c3[nH]c(C)c(C(C)=O)c3C)cc(=O)oc2c1 6543820 HOIDMPZFYXLOGI-UHFFFAOYSA-N 367.401 3.860 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)n2ccc(C(F)(F)F)n2)n(C2CCCC2)n1 28305767 JSJDZGZECPJVHY-LLVKDONJSA-N 355.364 3.722 0 40 FHAB COc1cc(C)c(C(=O)CSc2nnc(-c3ccco3)n2C)cc1C 4736458 AEIRBRVGMSOGNB-UHFFFAOYSA-N 357.435 3.676 0 40 FHAB OCCn1nccc1C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 92811169 PEVIFGKBDBPISU-UHFFFAOYSA-N 354.281 3.562 0 40 FHAB CCOc1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2C)cc1OCC 4846273 JKDHUEDIZWRDNJ-UHFFFAOYSA-N 371.433 3.896 0 40 FHAB CC(=O)OCCCc1cccc(NC2CCN(C(=O)C(C)(C)C)CC2)c1 97162407 MWVWYZLLVPNQLM-UHFFFAOYSA-N 360.498 3.631 0 40 FHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1sccc1C1CC1 67139831 KSKIPOATFDOHHF-UHFFFAOYSA-N 353.447 3.524 0 40 FHAB CCOc1ccc(CC(=O)OCC(=O)Nc2ccc(Cl)cc2F)cc1 9033478 OXQDWJCTZPYCSG-UHFFFAOYSA-N 365.788 3.602 0 40 FHAB CCCN1C=NS(=O)(=O)c2cc(C(=O)Nc3cc(C)ccc3C)ccc21 15867501 BXPDSSMOQNXGGE-UHFFFAOYSA-N 371.462 3.503 0 40 FHAB CCOc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1OCC 9113409 BWZIENLJKDLKPA-UHFFFAOYSA-N 353.374 3.843 0 40 FHAB C[C@H]1Oc2ccccc2N(CCC(=O)OCc2ccc(Cl)cc2)C1=O 16191430 RZIHCOCYFYNTAI-CYBMUJFWSA-N 359.809 3.587 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)c2c[nH]c3ccccc23)c1C 9315318 VNMFCYAPAWGNCL-CYBMUJFWSA-N 352.390 3.744 0 40 FHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCC(=O)c1ccc(F)cc1 7830949 JHITVBAAAXPQAA-UHFFFAOYSA-N 365.408 3.633 0 40 FHAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(CC(C)C)c3ccccc32)c(C)c1 68713188 PIOJHEDFKKBRFU-JOCHJYFZSA-N 351.446 3.767 0 40 FHAB COc1ccc(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1F 8157944 FWKXALPXGVINES-UHFFFAOYSA-N 359.441 3.870 0 40 FHAB Cc1cc(C)n(CCCNC(=O)CSc2cc(C)c3ccccc3n2)n1 8192778 MORREOWICPIBRU-UHFFFAOYSA-N 368.506 3.655 0 40 FHAB COc1ccccc1Nc1nc(N)nc(CSCc2ccc(C)cc2)n1 9471067 UYACZMUBIMOEOK-UHFFFAOYSA-N 367.478 3.948 0 40 FHAB O=S(=O)(Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccnc1 72002380 PDBKCBXMVRQTAA-UHFFFAOYSA-N 371.258 3.887 0 40 FHAB Cc1cc2occ(CC(=O)Nc3cnn(C[C@H]4CCCO4)c3)c2cc1C 72011840 RFTCLYSJTYMERZ-QGZVFWFLSA-N 353.422 3.606 0 40 FHAB CCc1nc(NC(=O)C(C)(C)c2ccccc2F)sc1C(=O)OC 89282642 IFFIKHCJCWSZRX-UHFFFAOYSA-N 350.415 3.548 0 40 FHAB c1ccc(-c2cc(CC3(NCc4cc5ccccc5o4)COC3)no2)nc1 67898283 JVVMWDZPOCSSJF-UHFFFAOYSA-N 361.401 3.584 0 40 FHAB biogenic,in-vitro Cc1nc([C@@H]2CCCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)C2)no1 75582543 HJOYNZABOVASBK-CYBMUJFWSA-N 363.845 3.595 0 40 FHAB CN1C(=O)c2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2C1=O 408619873 CVFSLQFLHSLNKY-UHFFFAOYSA-N 364.788 3.971 0 40 FHAB CC[C@@H](NC(=O)N1CCC(C(F)(F)F)CC1)c1ccc2c(c1)OCCO2 174206030 WBXGNBIJSNUMEC-CQSZACIVSA-N 372.387 3.893 0 40 FHAB CC(C)(C)c1cc(NC(=O)CNc2cccc(OC(F)(F)F)c2)on1 32909106 YLGCHMSAXMFGMP-UHFFFAOYSA-N 357.332 3.921 0 40 FHAB Cc1cc(C)cc(NC(=O)COc2cc(C)nc(N3CCCCCC3)n2)c1 44170014 SBNQHOQFBUUIAV-UHFFFAOYSA-N 368.481 3.800 0 40 FHAB COc1cc(/C=C/C(=O)O[C@@H](C)c2cccc(NC(C)=O)c2)cc(OC)c1 48353905 RAXNGEQKKOSDFU-VFNNOXKTSA-N 369.417 3.980 0 40 FHAB O=C(NCC1=N[C@H](c2ccccc2)c2ccccc2-n2cccc21)C1CC1 225376067 YPXNZUDORVOWDZ-JOCHJYFZSA-N 355.441 3.896 0 40 FHAB Cc1cc(C)c(S(=O)(=O)Nc2nnc(SC(C)C)s2)c(C)c1 225331471 GKNUEWXHZNUSBH-UHFFFAOYSA-N 357.526 3.765 0 40 FHAB CCOC(=O)CCCCCC(=O)c1ccc(CN2CCSCC2)cc1 43210941 UMVZSAODEYGOLB-UHFFFAOYSA-N 363.523 3.932 0 40 FHAB Cc1ccccc1O[C@H](C)C(=O)NCc1ccccc1CN1CCCC1 224786962 JWRVPDXGXYEBIZ-GOSISDBHSA-N 352.478 3.675 0 40 FHAB CCc1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl 222507925 ZHMMKMQFSUXLBE-UHFFFAOYSA-N 366.870 3.551 0 40 FHAB CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)Nc1nc3c(s1)C[C@@H](C)CC3)[C@@H]2C(=O)O 226563818 QMRSLUGJUPOTJO-NMQUUSDXSA-N 374.506 3.900 0 40 FHAB COc1ccc(-c2cnc(CCC(=O)NCc3ccccc3OC)o2)cc1 224853764 DJUKMVPSIGDBFO-UHFFFAOYSA-N 366.417 3.608 0 40 FHAB CCOC(=O)c1cc(NC(=O)[C@@](C)(OC)C2CC2)ccc1OCC(C)C 225812386 IYFNNYDFNZYGLC-FQEVSTJZSA-N 363.454 3.652 0 40 FHAB CC1(C)C(=O)N(CC(=O)N2CCc3ccccc3C2)c2ccc(Cl)cc21 96181616 ISLVTSSXNLLOOA-UHFFFAOYSA-N 368.864 3.549 0 40 FHAB Cc1ccc(CN2CCc3c(nnn3C)[C@H]2COCc2ccccc2)s1 96060527 XYQZHBIYDLQUBP-LJQANCHMSA-N 368.506 3.501 0 40 FHAB C[C@@H]1CCCCN1C(=O)c1cc(-c2cnc(-c3cccnc3)nc2)cn1C 96266385 CNYNTGDVFPUSRL-OAHLLOKOSA-N 361.449 3.559 0 40 FHAB Cc1cnc(C(=O)N2CCC[C@@H](Cc3ccc4ncccc4c3)CC2)cn1 257321249 WAVHXTOOFBZJDW-QGZVFWFLSA-N 360.461 3.818 0 40 FHAB O=C(CN1CCCC1)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257257267 KOVCXWTZWXMSJY-SFHVURJKSA-N 373.884 3.678 0 40 FHAB CCn1nccc1-c1cc(C)nc([C@@H]2CCCCN2C(=O)C(C)(C)C)n1 257256440 KLMLTRQJWCZXFG-KRWDZBQOSA-N 355.486 3.768 0 40 FHAB Cc1cc(C(=O)N2CC(C)(C)[C@@H]2c2cccs2)ccc1N1CCNC1=O 673396291 QAJONPLWRGOOEC-KRWDZBQOSA-N 369.490 3.809 0 40 FHAB CCC[C@H](C)C(=O)NC1(CC)CCN(C(=O)c2cnc(CC)s2)CC1 1775996839 KFAYYGJOZIADJS-AWEZNQCLSA-N 365.543 3.643 0 40 FHAB Cc1ccc(C(=O)N2CCC[C@]3(CCN3Cc3c(C)noc3C)C2)c(C)c1 585102124 SKPDIKFNDCYGDW-QFIPXVFZSA-N 367.493 3.789 0 40 FHAB O=C(c1ccc2c(O)[nH]c(=S)nc2c1)N1CCC[C@H]1c1ccccc1 63809224 TXYLPBXSAGFPNS-INIZCTEOSA-N 351.431 3.975 0 40 FHAB CNc1ccc(C(=O)N[C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)cn1 1638900455 JSGYYSSCOLCZHG-ZDUSSCGKSA-N 354.841 3.545 0 40 FHAB COc1cccc2c(C(=O)N[C@H](c3cccs3)C(C)(C)CO)coc12 1615610873 PQSWQAWYHGHKIB-QGZVFWFLSA-N 359.447 3.993 0 40 FHAB CN1C(=O)S/C(=C\c2ccc(OCc3cccc(C(=O)O)c3)cc2)C1=O 2365565 ZGDQTXUCHPZHMB-YBEGLDIGSA-N 369.398 3.630 0 40 FHAB CCc1cc(Br)c(CN[C@@H]2C[C@@H]3C[C@H](C(=O)O)C[C@@H]32)s1 1776958547 DDJPBJCTBVQIBG-LKAMGYQZSA-N 358.301 3.662 0 40 FHAB O=C(COC(=O)c1ccccc1F)NC(c1ccccc1)c1ccccc1 5118141 KSLHWKMHGCHCLF-UHFFFAOYSA-N 363.388 3.888 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)Sc2nc(CNc3ccccc3)n[nH]2)cc1 5448229 URCOHPYKYUKKMP-AWEZNQCLSA-N 367.478 3.845 0 40 FHAB CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccccc2F)c1 5645518 LXWMSKQTIZCWHN-UHFFFAOYSA-N 359.426 3.691 0 40 FHAB COc1ccc(N[C@H]2SC(=O)N(CCNc3ccc(C)cc3)C2=O)cc1 12113023 SFMHRUKCDXOSRL-KRWDZBQOSA-N 371.462 3.549 0 40 FHAB COc1cc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc(Cl)c1OC 12913427 UIHVCIDQYGIWGH-UHFFFAOYSA-N 374.824 3.502 0 40 FHAB Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)[C@H]3C[C@@H]3C)cc2)n1 13228124 ATSJTEWTVOZJLF-KSSFIOAISA-N 358.445 3.786 0 40 FHAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(C)c1 14399000 GWYZIRICLCUZTR-MRXNPFEDSA-N 354.450 3.883 0 40 FHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(C)c(Cl)c1 17074996 UEURHMJIMYOVRY-UHFFFAOYSA-N 364.854 3.792 0 40 FHAB COc1cccc(CN2CCC[C@H](c3nnsc3-c3cc(C)no3)C2)c1 19120782 HYLPOYYZBRRSBR-HNNXBMFYSA-N 370.478 3.890 0 40 FHAB c1ccc(CN(Cc2c[nH]nc2-c2cccs2)C[C@@H]2CCCO2)nc1 19401391 NIGFILADEZNRRE-KRWDZBQOSA-N 354.479 3.714 0 40 FHAB C[C@H]1CN(c2ncc(-c3cccs3)c(-c3nccs3)n2)C[C@@H](C)O1 19497636 KVUCNFCDEZBDBN-TXEJJXNPSA-N 358.492 3.942 0 40 FHAB Cc1c(-c2cncn2C[C@H](C)N2CCCCC2)cnn1Cc1ccccc1 19654444 JEULDXSWNPFXRC-SFHVURJKSA-N 363.509 3.978 0 40 FHAB CNc1cc(CC2CCN(Cc3cccc4ncccc34)CC2)nc(C)n1 19758898 JPKPJZBVUKJKBC-UHFFFAOYSA-N 361.493 3.830 0 40 FHAB Cc1ccc(OCCOc2ccccc2/C=C2/SC(=N)NC2=O)c(C)c1 6167711 VDDRDJCLKGTIKA-LDADJPATSA-N 368.458 3.900 0 40 FHAB COc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc(OC)c1O 208842469 COAQJUPAFROZPQ-DHDCSXOGSA-N 373.386 3.768 0 40 FHAB Cc1cnccc1-c1c[nH]nc1[C@H]1CCCN1C(=O)Cc1cccc(F)c1 19239634 HZKTWZZKGOMVRT-LJQANCHMSA-N 364.424 3.825 0 40 FHAB CC1CCC2(CC1)NC(=O)N(CCOc1ccc(Cl)cc1Cl)C2=O 4287681 BJIDGTJZASJKBY-UHFFFAOYSA-N 371.264 3.873 0 40 FHAB C[C@H](OC(=O)c1cccc(C(F)(F)F)c1)c1nc2ccccc2c(=O)[nH]1 5666523 UZNGONGPIVCGPC-JTQLQIEISA-N 362.307 3.860 0 40 FHAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(Cc2cccc(Cl)c2)C1=O 5791490 RZWNSSNYIROYMD-QGZVFWFLSA-N 350.752 3.585 0 40 FHAB CN(c1ccccn1)C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 1889145796 CXAUWAQMKMTSSH-UHFFFAOYSA-N 363.383 3.841 0 40 FHAB Cc1cc(C)n2ncc(C(=O)Nc3ccccc3N3CCCCCC3)c2n1 24473780 NTYLFGJGWCVEDA-UHFFFAOYSA-N 363.465 3.979 0 40 FHAB CCc1cnc(OC2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc1 1776001950 VBDLMTBIBUAZKJ-UHFFFAOYSA-N 352.360 3.501 0 40 FHAB Cc1ccc(C)c(Cn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)c1 4479140 LANOSCCLLIVHSF-UHFFFAOYSA-N 364.836 3.901 0 40 FHAB Cc1cc2nc(NC(=O)c3ccc(S(C)(=O)=O)cc3)sc2cc1C 5152440 WUSCWWIXRQOOQK-UHFFFAOYSA-N 360.460 3.569 0 40 FHAB CCOc1ccc(C(=O)Nc2cc3c4c(c2)CCC(=O)N4CCC3)cc1 5154043 POXNBNSYQQFOIH-UHFFFAOYSA-N 350.418 3.563 0 40 FHAB CCOc1ccc(NC(=O)c2cccn(Cc3ccccc3F)c2=O)cc1 5270369 LBTKISCTERRIBA-UHFFFAOYSA-N 366.392 3.687 0 40 FHAB Cc1cc(C(=O)N(Cc2ccco2)c2nc3ccccc3s2)n(C)n1 9200754 XRZSKGYJGJGJKU-UHFFFAOYSA-N 352.419 3.778 0 40 FHAB O=C(Nc1nc(CCC(=O)N2CCc3ccccc32)cs1)c1ccco1 11835275 DPTJGEHRJKRVJD-UHFFFAOYSA-N 367.430 3.510 0 40 FHAB CC1(C)Cc2ccccc2-c2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c21 15841642 ZIKTUOUPIUWJAZ-UHFFFAOYSA-N 352.821 3.680 0 40 FHAB O=C(N1CCC1)C1(Nc2ccccc2)CCN(CC2CCCCC2)CC1 2055751208 VDPKCIKMNSGHKL-UHFFFAOYSA-N 355.526 3.746 0 40 FHAB O=S(=O)(Cc1ccccc1F)NCc1cncc(-c2ccsc2)c1 206951443 SYACPRDYQMYMHE-UHFFFAOYSA-N 362.451 3.569 0 40 FHAB O=C(NCc1ccc(Cl)cc1)NCc1nccnc1-c1cccs1 575620369 MJGODKLGKLCMKR-UHFFFAOYSA-N 358.854 3.858 0 40 FHAB O=C(c1cc2cc(Cl)ccc2o1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 12894689 KEXCLHRVBNGURS-GXTWGEPZSA-N 368.820 3.507 0 40 FHAB biogenic CCOC(=O)c1c(/C=C/C(=O)Nc2nc(C)cs2)c(C)n(CC)c1C 10408734 WRTKOCPCEJYKCM-CMDGGOBGSA-N 361.467 3.718 0 40 FHAB CCc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)NC2CCCCC2)cc1 40149030 LUNSQODAUWRJCX-OXQOHEQNSA-N 371.525 3.933 0 40 FHAB O=C(Nc1ccc(OC[C@H](O)COc2ccccc2)cc1)c1ccccc1 30597121 RRXDTJNQMVFCKH-LJQANCHMSA-N 363.413 3.758 0 40 FHAB CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nc3ccccc3nc2Cl)C1 40434363 BIVNXCLFVVVPGD-GFCCVEGCSA-N 362.861 3.777 0 40 FHAB Cc1noc2ncc(C(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)cc12 46362989 PBHFQSRTYZXQJS-VIFPVBQESA-N 365.311 3.921 0 40 FHAB O=C(Nc1cccc(-c2noc(O)n2)c1)c1ccc(N2CCCCC2)cc1 81940763 RNAZXURIRNRTKW-UHFFFAOYSA-N 364.405 3.685 0 40 FHAB CCOC(=O)C1CCN(c2ncnc3sc4c(c23)CCCCC4)CC1 8346185 NTJFEELZBIWQDK-UHFFFAOYSA-N 359.495 3.740 0 40 FHAB O=S(=O)(Nc1nc2ccccc2nc1Cl)c1cccc(Cl)c1 2650254 CYQYBNIDZIOQDN-UHFFFAOYSA-N 354.218 3.737 0 40 FHAB CCOC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1OC 977038 UZIUQDAJAWBHAT-UHFFFAOYSA-N 369.446 3.598 0 40 FHAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(C)c1 991144 CGRJPXJMQFFHAY-UHFFFAOYSA-N 372.490 3.730 0 40 FHAB Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1 7585880 BQEREJJHPDBYDH-SFHVURJKSA-N 372.515 3.505 0 40 FHAB CCCOc1ccc(C(=O)NCc2nc(-c3cccc(C)c3)no2)cc1 7668838 OUIUCTMFBCKOAC-UHFFFAOYSA-N 351.406 3.764 0 40 FHAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)NCc1ccco1 7763686 CMDBLURIGGNZQM-NSHDSACASA-N 374.491 3.732 0 40 FHAB COc1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc(OC)c1Br 21895737 NXIFGOWLFGWLHR-PHIMTYICSA-N 356.260 3.584 0 40 FHAB O=C(CCS[C@@H]1CCc2ccccc2N=C1O)NCCc1ccco1 12322797 JMQCVKPSNXWPDW-QGZVFWFLSA-N 358.463 3.665 0 40 FHAB Cc1ccccc1C(=O)N[C@H](C(=O)N(C)Cc1cccc(F)c1)C(C)C 23598231 VIGNGQKTBABNGJ-IBGZPJMESA-N 356.441 3.547 0 40 FHAB CCCc1cc(C(=O)NCCNC(=O)c2ccc(C)c(F)c2)sc1C 22976111 PWJOLJNQONPTHY-UHFFFAOYSA-N 362.470 3.616 0 40 FHAB Cc1noc(C)c1CN1CCN(C(=O)Nc2cccc3ccccc23)CC1 42115566 CVSVDVZGLOLEEF-UHFFFAOYSA-N 364.449 3.794 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1nc2ccccc2[nH]1 12560324 QPPYZPWCPOQZOV-JTQLQIEISA-N 364.232 3.953 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H](C)Nc1ccc(N2CCCC2=O)cc1 12517405 DWKWCWMADBNPTP-OAHLLOKOSA-N 367.449 3.570 0 40 FHAB COc1ccc(-c2nc(COC(=O)C3C[C@@H]4CCC[C@H](C3)C4=O)co2)cc1 42679096 ZKTXZHBRRNFYDU-XYPWUTKMSA-N 369.417 3.789 0 40 FHAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c1 54500413 KMLXRJBJPMGLHP-CHWSQXEVSA-N 364.829 3.684 0 40 FHAB CCc1nc2ccccc2n1CC(=O)N[C@H](C)c1ccc(OC)c(F)c1 24078906 KPANTDZSGUTTBW-CYBMUJFWSA-N 355.413 3.624 0 40 FHAB CCOC(=O)c1ccc(N2CCC[C@H]2c2cc(OC)ccc2OC)nc1 24054665 GQTXKMZMDDGKOV-KRWDZBQOSA-N 356.422 3.617 0 40 FHAB COc1ccc(C(=O)C2CCN(C(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 105637546 RLIJNGMWUDUUGB-SNRMKQJTSA-N 355.478 3.943 0 40 FHAB S=c1oc2ccccc2n1CN1CCC(c2nnc3ccccn23)CC1 12543846 ZJYZQQQTIRYRMY-UHFFFAOYSA-N 365.462 3.844 0 40 FHAB Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)C1CC1 28228934 XGMMNWFMMPNABB-UHFFFAOYSA-N 353.344 3.904 0 40 FHAB O=c1c2cc(Cc3ccccc3)sc2[nH]c(=S)n1C[C@H]1CCCO1 17074016 RADXAZXKWVJKDT-CYBMUJFWSA-N 358.488 3.890 0 40 FHAB O=C(Nc1nnc([C@@H]2CCCO2)s1)c1ccc(OC2CCCC2)cc1 27913248 COZMVICMKAHHJG-HNNXBMFYSA-N 359.451 3.963 0 40 FHAB Cc1ccc(-c2nc(C(=O)Nc3cccc(-n4cnnc4)c3)cs2)o1 25288042 QFDVTPCFEUUWQX-UHFFFAOYSA-N 351.391 3.545 0 40 FHAB Cc1ccc(-c2cnc(CCC(=O)N(Cc3cnn(C)c3)C(C)C)o2)cc1 56025992 HSCRHUCSOZOUQD-UHFFFAOYSA-N 366.465 3.753 0 40 FHAB Cc1cc([C@@H]2CCCN2C(=O)[C@H]2CCCN(Cc3ccccc3)C2)no1 57154924 MLWJYMKFAJQRJS-ICSRJNTNSA-N 353.466 3.559 0 40 FHAB CSc1ccc(/C=C/C(=O)OCC(=O)N(C)Cc2ccccc2)cc1 3308984 VPJIOSXFIIKSPB-JLHYYAGUSA-N 355.459 3.624 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)NC(C)(C)C)cc2)c1 3352240 VNNPOPBQPNFYHC-UHFFFAOYSA-N 361.463 3.599 0 40 FHAB CN(C)C[C@@H]1CCCCN1C(=O)COc1ccccc1-c1ccccc1 58175443 KIHAKAZXIDJENP-IBGZPJMESA-N 352.478 3.675 0 40 FHAB CCN(c1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1)S(C)(=O)=O 10008568 UWCJKBGOTZXFLY-UHFFFAOYSA-N 366.870 3.687 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(N2CCCCC2)cc1 10165654 UCFYUQJRIZXRAP-UHFFFAOYSA-N 352.434 3.977 0 40 FHAB Cc1cccc(C)c1NC(=O)CNC(=O)N[C@@H](c1ccccc1)C1CC1 10257501 CZYHWTRYBCZFMT-FQEVSTJZSA-N 351.450 3.692 0 40 FHAB Cc1nc(CN2C(=O)N[C@](C)(c3ccc(Cl)c(Cl)c3)C2=O)oc1C 58203493 AZHVAAPGJCTOLI-MRXNPFEDSA-N 368.220 3.565 0 40 FHAB COc1ccc(C(=O)[C@H](C)Sc2nnc(OC(C)C)s2)cc1OC 58203383 OXWOJGFSZGNUQA-JTQLQIEISA-N 368.480 3.706 0 40 FHAB COc1cc(NC(=O)c2cccc3c2O[C@H](C)[C@H]3C)cc(OC)c1OC 12745694 REEBTEWIEIUBAT-VXGBXAGGSA-N 357.406 3.849 0 40 FHAB CC(C)n1ncc2cc(NC(=O)C(C)(C)Oc3ccc(F)cc3)cnc21 12768985 HBNQPLODFZNINZ-UHFFFAOYSA-N 356.401 3.947 0 40 FHAB COc1ccc(C(=O)CCCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 36171388 SSHNESTWDQBHKV-UHFFFAOYSA-N 354.406 3.645 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCSc3c(F)cccc32)c1 12763099 RHPQSLGRWCCXIU-HNNXBMFYSA-N 351.468 3.958 0 40 FHAB CN(Cc1c(F)cccc1Cl)C(=O)CCc1nc(-c2cccnc2)no1 36397369 YYYVKNAVHCVZCZ-UHFFFAOYSA-N 374.803 3.515 0 40 FHAB CCCn1c(=O)n(C[C@H](O)COc2ccccc2C(C)C)c2ccccc21 58647827 CKPYNCYQYZOWEB-KRWDZBQOSA-N 368.477 3.776 0 40 FHAB CC[C@H](C)NC(=O)c1c(N)n(CCC(C)C)c2nc3ccccc3nc12 2355753 XKYPEPSIAZTTTN-ZDUSSCGKSA-N 353.470 3.741 0 40 FHAB Cc1ccccc1OCCN(C)C(=O)Cc1ccc(OC(F)(F)F)cc1 59037243 HVQWHGKSYSDBDF-UHFFFAOYSA-N 367.367 3.974 0 40 FHAB CCN(CC(=O)Nc1ccc(F)cc1Cl)Cc1ccc2c(c1)OCO2 11351618 XHNYPNDCRDSHHM-UHFFFAOYSA-N 364.804 3.668 0 40 FHAB CN(C(=O)CCNC(=O)c1ccc(F)cc1F)[C@H]1CCCc2ccccc21 29257984 OQYUQICKHMJMRE-IBGZPJMESA-N 372.415 3.621 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 3494207 MGSAIJYMTIMPQY-UHFFFAOYSA-N 369.402 3.505 0 40 FHAB COC(=O)c1ccc([C@@H]2SCC(O)=Nc3c2cnn3C(C)(C)C)cc1 49548246 UBNPVCQAPABELU-HNNXBMFYSA-N 359.451 3.849 0 40 FHAB O=C(C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1ccccc1 4144343 QSAOBVACSHPJMW-DEOSSOPVSA-N 371.436 3.737 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CCc1nn2c(C(C)C)nnc2s1 13693383 SVWMBJLQQGIXAC-UHFFFAOYSA-N 366.494 3.897 0 40 FHAB COc1ccccc1-c1cc(C(F)(F)F)n(-c2nc(C(=O)O)cs2)n1 6007487 OFDBYQFVLALRRY-UHFFFAOYSA-N 369.324 3.721 0 40 FHAB O=C([C@@H]1CCCO1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 13985916 LGOZATHWCMDFII-AWEZNQCLSA-N 350.871 3.835 0 40 FHAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccn2)c(OC)c1 8718337 GKQHVZZNJHVYIG-FQEVSTJZSA-N 361.401 3.870 0 40 FHAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(Br)cc1 6335628 ZYPVKPJVSFEPAY-OAHLLOKOSA-N 363.255 3.609 0 40 FHAB O=C(CCCCCn1cnc2ccccc2c1=O)Nc1ccccc1F 5303664 MXVTWIXMZOVFEC-UHFFFAOYSA-N 353.397 3.735 0 40 FHAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(Cl)cc2c1OCOC2 65604220 APWWJBQESGQYHV-DQYPLSBCSA-N 365.857 3.513 0 40 FHAB Cc1cccc(-n2c(C)nnc2S[C@H](C)C(=O)N2CCC(C)CC2)c1 4500574 SKYJIZXBGGHFSQ-OAHLLOKOSA-N 358.511 3.623 0 40 FHAB O=C(COC(=O)COc1ccccc1)Nc1cc(Cl)cc(Cl)c1 5459589 PESHYWLBQYVULM-UHFFFAOYSA-N 354.189 3.554 0 40 FHAB CNC(=O)/C(=C\c1cccc(Oc2ccccc2)c1)NC(=O)c1ccccc1 4746772 ODUOHIMEWWLXIT-LTGZKZEYSA-N 372.424 3.996 0 40 FHAB O=C(CSCc1ccccc1Br)NCc1ccccc1 22560945 BONWLZBMOAINSU-UHFFFAOYSA-N 350.281 3.999 0 40 FHAB Cc1csc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)n1 5699421 HYZCQQSZGMSXPN-UHFFFAOYSA-N 366.855 3.886 0 40 FHAB O=C(COC(=O)c1cccc(Br)c1)NC1CCCCCCC1 6887165 BEIGEYDXURMRRA-UHFFFAOYSA-N 368.271 3.835 0 40 FHAB COc1cc(N)c(Cl)cc1C(=O)O[C@@H](C)C(=O)c1ccc2c(c1)CCC2 5898337 KIFJSONIVJVKSB-NSHDSACASA-N 373.836 3.848 0 40 FHAB O=S(=O)(N[C@@H]1CCSc2ccc(F)cc21)c1cccc(Cl)c1 15359941 XXCCXTGNOZWYKM-CQSZACIVSA-N 357.859 3.995 0 40 FHAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccnc(OC2CCC2)c1 90021839 LFPADQQTKIGONH-IBGZPJMESA-N 368.433 3.823 0 40 FHAB CCOc1ccc2nc(NC(=O)[C@@H](OC(C)=O)c3ccccc3)sc2c1 9015644 ULZJKDVVHINXDX-KRWDZBQOSA-N 370.430 3.938 0 40 FHAB O=S(=O)(Nc1ccccc1NCC(F)(F)F)c1ccc(Cl)nc1 67659754 WFZDBYYLQWZBEH-UHFFFAOYSA-N 365.764 3.510 0 40 FHAB Cc1cccc2sc(NC(=O)[C@]3(C)Cc4ccccc4C(=O)O3)nc12 7472706 FROPXICHFBFREX-IBGZPJMESA-N 352.415 3.715 0 40 FHAB CCN1CCN(c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2C)CC1 9368839 XWNRDZUNZXIEGM-UHFFFAOYSA-N 359.420 3.667 0 40 FHAB CCCn1c(S[C@H](C(=O)c2ccccc2)c2ccccc2)n[nH]c1=O 7513420 ZRHBVKQPASBYPU-KRWDZBQOSA-N 353.447 3.698 0 40 FHAB COC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@H]1c1ccccc1F 16494990 FSHGNKJXLYZAFC-INIZCTEOSA-N 360.410 3.601 0 40 FHAB COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cn1 16681234 POUOCSVOMMZOMF-LJQANCHMSA-N 374.396 3.797 0 40 FHAB COc1cccc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)c1 8243898 XYRJEIPKDZVBOW-UHFFFAOYSA-N 352.478 3.955 0 40 FHAB O=C(Nc1cccc(Cn2cncn2)c1)[C@@H]1CCCC[C@@H]1C(F)(F)F 84374389 BFGAZZLNFDVQSC-CABCVRRESA-N 352.360 3.634 0 40 FHAB CC[C@@H](C)[C@H]1CCCCN1c1ncnc2c1c(Br)nn2C 95460512 IRDALKRAZCSZAF-GHMZBOCLSA-N 352.280 3.531 0 40 FHAB Cc1cc2ccccc2c(=O)n1CC(=O)Nc1cccc(C(F)(F)F)c1 95467720 AXQSHNBXWCLAJM-UHFFFAOYSA-N 360.335 3.967 0 40 FHAB CN(Cc1ccc(Cl)nc1)C1CCN(Cc2ccc(Cl)nc2)CC1 95459846 QEVSXEJWTSUAPM-UHFFFAOYSA-N 365.308 3.880 0 40 FHAB O=C(O)CC[C@H]1CCCN(C(=O)CCc2ccc(OC(F)(F)F)cc2)C1 95992035 QVPWMPZWQKNXHU-CQSZACIVSA-N 373.371 3.621 0 40 FHAB CN1CC[C@H](NC(=O)[C@@H]2Cc3ccccc3S2)[C@@H]1c1ccc(F)c(F)c1 89375099 URZWFIYWJNWTAQ-WDSOQIARSA-N 374.456 3.543 0 40 FHAB Cc1cc(C(=O)COC(=O)c2cccnc2N2CCCC2)c(C)n1C(C)C 22313772 FEBLYSJYRUQSCK-UHFFFAOYSA-N 369.465 3.721 0 40 FHAB CC(C)CC[C@H](C)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 23012816 XTSYYBSNAMJOEK-QFBILLFUSA-N 368.477 3.788 0 40 FHAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1 409173823 KOBHPYMEUVVUMP-GZTJUZNOSA-N 366.442 3.978 0 40 FHAB CCOC(=O)c1ccoc1CSc1nnc(-c2sc(C)nc2C)o1 25459089 YHYASWSUVILDIU-UHFFFAOYSA-N 365.436 3.872 0 40 FHAB CCCN1CCc2cc(-c3cncn3CCc3c(C)nn(C)c3C)ccc21 36752033 ODYJAUMPBNUSTK-UHFFFAOYSA-N 363.509 3.916 0 40 FHAB O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccc2c(c1)OCO2 32126611 RULPUZRSZDNYSM-UHFFFAOYSA-N 350.399 3.695 0 40 FHAB CC(C)c1ccc(-c2nc(CC(=O)N3CCC(C(=O)O)CC3)cs2)cc1 32072547 WANWIVOSMXBHTH-UHFFFAOYSA-N 372.490 3.799 0 40 FHAB CC(C)(C)C(=O)N[C@H]1CCCN(Cc2ccccc2Br)C1 513758689 BKFPXYDKXONWSF-AWEZNQCLSA-N 353.304 3.576 0 40 FHAB C[C@H](NC(=O)NC[C@@H](O)c1ccccc1F)c1ccc2c(c1)CCCC2 71917684 TZYLYKPLAZVNFU-VBKZILBWSA-N 356.441 3.798 0 40 FHAB CCC(=O)N(CCc1ccccc1)Cc1cc2ccc(C)cc2n2nnnc12 35289705 JPDFXJUPUICILH-UHFFFAOYSA-N 373.460 3.567 0 40 FHAB CCN(CC)C(=O)CN1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 72357642 KHJWJGIVBZWJJZ-NRFANRHFSA-N 369.484 3.817 0 40 FHAB O=C(c1cc[nH]n1)N1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 72349778 ZPWLCYSSBREMLD-HNNXBMFYSA-N 350.397 3.631 0 40 FHAB CCC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1 39747501 MFWWIWAUOKPFDU-UHFFFAOYSA-N 352.419 3.806 0 40 FHAB O=C1C[C@@H](c2cccc(F)c2)c2c(c(C(=O)O)cn2-c2ccc(F)cc2)N1 66087849 XTXBEHXRUGCKRQ-HNNXBMFYSA-N 368.339 3.928 0 40 FHAB CC(=O)N1CCC(N2CCC[C@H]2c2cccc(Cc3ccccc3)n2)CC1 72358185 LAONGVPNLUKESG-QHCPKHFHSA-N 363.505 3.820 0 40 FHAB CC(C)[C@@H](NC(=O)COc1cccc(NC(=O)C2CC2)c1)c1ccccc1 36394522 MONFADUCGXTBHH-OAQYLSRUSA-N 366.461 3.927 0 40 FHAB COc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccccc3F)n2)c1 72322118 SZCJSCCRGAZCMO-FQEVSTJZSA-N 367.424 3.798 0 40 FHAB biogenic,in-vitro O=C(O)c1ccc([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCC2)cc1 71283516 ZUHVTQMFCPYMDK-AWEZNQCLSA-N 355.394 3.503 0 40 FHAB CCn1nccc1-c1cc(NCCCOc2ccccc2C)nc(C)n1 72373347 URIZNXUBTLVYBB-UHFFFAOYSA-N 351.454 3.858 0 40 FHAB COc1cc(OC)cc(C(=O)c2cccc(I)c2)c1 43210131 MQFFCCRQFVNJOF-UHFFFAOYSA-N 368.170 3.539 0 40 FHAB Cc1ccccc1N1C(=O)C[C@@H](N(C)Cc2c(F)cccc2Cl)C1=O 40062491 BLNUOUXNMVPEJT-QGZVFWFLSA-N 360.816 3.551 0 40 FHAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225048186 HKBXFUGLBRALPG-SNVBAGLBSA-N 362.838 3.659 0 40 FHAB O=C(Cc1ccccc1Cl)N1CCC(c2nnc(C(F)(F)F)o2)CC1 77197726 YPTNEBWJVKDLPD-UHFFFAOYSA-N 373.762 3.691 0 40 FHAB O=C(N[C@@H](c1cccnc1)C1CCOCC1)c1ccc2ncsc2c1 225622566 DJZOOQLZDOEZFI-GOSISDBHSA-N 353.447 3.589 0 40 FHAB CC(C)N1CC2(CCN(Cc3cccnc3)CC2)C[C@H]1COCC1CC1 96207055 YIEOQHMHLDHNLR-NRFANRHFSA-N 357.542 3.573 0 40 FHAB O=C(/C=C\c1cccs1)N1C[C@@H](c2ccccc2)[C@@H](c2ncon2)C1 245060745 PZIIEGVBBUMZAM-IRXDYDNUSA-N 351.431 3.554 0 40 FHAB Cc1nccc(C(=O)N2CCC[C@H]2c2ccnc(Nc3ncccc3C)c2)n1 257303989 SJPRGEZEPFXJTN-SFHVURJKSA-N 374.448 3.604 0 40 FHAB Cc1ccccc1[C@@H](NC(=O)N1CCN(c2ccccc2O)CC1)C1CC1 602452046 VSMRGKRMWWCLQP-NRFANRHFSA-N 365.477 3.684 0 40 FHAB CN(C)c1nc([C@@H]2CCCN2C(=O)c2ccccc2F)cn2cccc12 257323283 WJMRRDQWUNALQE-KRWDZBQOSA-N 352.413 3.517 0 40 FHAB O=C(NCCCn1ccnc1-c1ccccc1)NCc1ccc(F)cc1 85555150 CCRPAFJDATVYRA-UHFFFAOYSA-N 352.413 3.579 0 40 FHAB O=C(O)C(F)(F)C(F)(F)C(F)(F)C(=O)c1ccc(Cl)c(F)c1 95634035 DBYLJRZVCWKCJH-UHFFFAOYSA-N 352.589 3.652 0 40 FHAB CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1/C(=C\OC)C(=O)OC 143392086 NMLUOJBSAYAYEM-PZWMAMQXSA-N 368.477 3.817 0 40 FHAB Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCCCN2C(=O)c2cccc(F)c2)n1 585182475 HOWABRALVLXGJS-KRWDZBQOSA-N 365.412 3.682 0 40 FHAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N(C)c3cc(F)ccc3F)c12 60340367 DBRIIOZQDMNWNP-UHFFFAOYSA-N 356.376 3.709 0 40 FHAB O=C(NCC1(Sc2ccccc2)CCOCC1)c1cc(C2CC2)on1 96331384 NSASMTPDNPSHKP-UHFFFAOYSA-N 358.463 3.623 0 40 FHAB COc1ccc(C)cc1NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 5127242 QWFONJWUZVIWEZ-UHFFFAOYSA-N 357.450 3.702 0 40 FHAB CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)cc1 5868667 PZJIYIYKNIKOCD-UHFFFAOYSA-N 366.446 3.714 0 40 FHAB O[C@H](CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 12292065 LVVWCHCVHBNFKM-GOSISDBHSA-N 365.395 3.722 0 40 FHAB O=C(COc1ccc(F)cc1)NCc1ccc(CN2CCCCC2)cc1 16507792 ZPVJUSWDUDXGQJ-UHFFFAOYSA-N 356.441 3.507 0 40 FHAB Cn1ccc([C@H]2CCCCCN2C(=O)c2cc(-c3ccc(F)cc3)no2)n1 19291028 ICKUFMZNJXKRBI-GOSISDBHSA-N 368.412 3.972 0 40 FHAB Cc1cc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2ccccn2)cc(C)c1O 19569949 CHJIWMQDTYXCOI-QIDMFYOTSA-N 352.478 3.524 0 40 FHAB CC[C@H](CN1CCCC1)n1cncc1-c1cnc(N2CCC(C)CC2)nc1 19719983 OWAAAMIFACXZHI-LJQANCHMSA-N 368.529 3.623 0 40 FHAB COc1cccc(OCc2nnc(SCc3cccc(C(=O)O)c3)o2)c1 19928565 NEMLIYNTAHLEFR-UHFFFAOYSA-N 372.402 3.648 0 40 FHAB O=C(Cc1ccccc1)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21 19370323 MRLUCLDWEFOXJW-XJUOHMSHSA-N 366.480 3.895 0 40 FHAB Cc1c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)oc2c(F)cccc12 917370765 VAANDEGCTYTFIG-UHFFFAOYSA-N 367.424 3.884 0 40 FHAB O=C(Nc1nc(C2CC2)cs1)C1CCN(c2ccc(Cl)cn2)CC1 32639010 VNMRVMMQCPKQNP-UHFFFAOYSA-N 362.886 3.924 0 40 FHAB CC(C)COC(=O)N1CCC([C@@H]2CCCCN2Cc2ccncc2)CC1 2056225074 ASSHDZHMSOUALY-FQEVSTJZSA-N 359.514 3.941 0 40 FHAB O=C(N[C@@H](c1cccs1)C1CCOCC1)[C@H]1CCc2ccccc2O1 1565523152 GRGFKLRXKJSSPP-IEBWSBKVSA-N 357.475 3.726 0 40 FHAB COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)c1c(C)cc(C)cc1O 861709 USXAZAGDYJDOHZ-INIZCTEOSA-N 356.374 3.511 0 40 FHAB COc1cc(OC)cc(-c2nnc(NC(=O)c3cccc(Cl)c3)o2)c1 4276120 JRIYFFXINJHRSL-UHFFFAOYSA-N 359.769 3.660 0 40 FHAB O=C(N[C@H]1CCN(c2nccs2)C1)c1ccc(-c2ccsc2)cc1 206810754 DNVOVEFYQMOADS-INIZCTEOSA-N 355.488 3.880 0 40 FHAB O=S(=O)(NCc1cncc(-c2cccs2)c1)c1ccccc1Cl 225668635 QVIIHQREDDWNTF-UHFFFAOYSA-N 364.879 3.942 0 40 FHAB Cc1cc(C)cc(NC(=O)CSc2cc(-n3nc(C)cc3C)ncn2)c1 49404055 SEZHRLLSQWWECG-UHFFFAOYSA-N 367.478 3.627 0 40 FHAB CN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C1CCCCC1 40159885 WWKTUBPHLPEDQJ-INIZCTEOSA-N 362.901 3.983 0 40 FHAB CC(C)(C)C1CCC(C(=O)Nc2nc(CN3CCOCC3)cs2)CC1 40161758 HHFGAWWKKNBUFZ-UHFFFAOYSA-N 365.543 3.766 0 40 FHAB O=c1[nH]c(CN2CC=C(c3ccccc3)CC2)nc2cc(Cl)ccc12 30630617 IJNIAYYEQOKVHB-UHFFFAOYSA-N 351.837 3.866 0 40 FHAB C[C@@H](c1nc(C(C)(C)C)no1)N(C)CC(=O)Nc1ccccc1Cl 31001482 LZGWXIYOBGVRFS-NSHDSACASA-N 350.850 3.652 0 40 FHAB Cn1c(S[C@@H]2CCc3ccccc3N=C2O)nnc1-c1ccncc1 20745277 XGPTZWSTWNUKMD-OAHLLOKOSA-N 351.435 3.572 0 40 FHAB CCC(=O)N(Cc1cc2ccc(C)cc2n2nnnc12)C1CCCCC1 1367294 YXACERWZBKKTQV-UHFFFAOYSA-N 351.454 3.657 0 40 FHAB CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccncc2)cc1 76196157 QYXPINIYROVOMX-QGZVFWFLSA-N 369.490 3.533 0 40 FHAB Cc1ccc(C(C)(C)C)c(OCC(=O)NCCc2nc3ccccc3[nH]2)c1 1808238 HRBCMCHRBHCROM-UHFFFAOYSA-N 365.477 3.907 0 40 FHAB Cc1cc(NC(=O)c2cc(-c3ccccc3F)nc3onc(C)c23)no1 32870578 BFIAGIDQRGLOSA-UHFFFAOYSA-N 352.325 3.886 0 40 FHAB C[C@H](O)CNc1ncnc2cc(-c3ccc(Br)cc3)sc12 32806217 UHBAVSGHZSCYRW-VIFPVBQESA-N 364.268 3.914 0 40 FHAB CCCN(CCC)C(=O)CSc1nnc(C)n1-c1ccc(Cl)cc1 6629478 CSQCCCXRAILSJX-UHFFFAOYSA-N 366.918 3.970 0 40 FHAB O=C(O)c1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1 7057203 SDCRGOPIESVPPT-UHFFFAOYSA-N 353.399 3.853 0 40 FHAB COc1ccccc1OCc1nnc(SCCOc2ccccc2)n1C 7341922 QFGFDXJVBDIOPJ-UHFFFAOYSA-N 371.462 3.574 0 40 FHAB O=C(C[C@H]1Sc2ccccc2NC1=O)NCCSCc1ccccc1 7642780 OAOWHWBTAZDLGH-QGZVFWFLSA-N 372.515 3.539 0 40 FHAB Cc1ccc(C(=O)N2CCC[C@H](C)C2)cc1S(=O)(=O)Nc1ccccc1 10112545 DPTPIIXHHSVLGR-HNNXBMFYSA-N 372.490 3.668 0 40 FHAB COc1ccc(-c2c(C(C)C)nn3c4c(nnc23)C(=O)C[C@@H](C)C4)cc1 10156975 YWKJTYDTZMYDAM-LBPRGKRZSA-N 350.422 3.688 0 40 FHAB CC(C)CNC(=S)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccc(F)cc1 100424768 FJYVVHJBMJBGOO-OALUTQOASA-N 363.546 3.831 0 40 FHAB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(F)c2)n2ncnc2N1 646422 HJCLTIPEXBXRKZ-SFHVURJKSA-N 363.396 3.653 0 40 FHAB CC(C)(C)C(=O)NC(=S)Nc1ccc(NC(=O)c2cccs2)cc1 9064129 DEQLLUNYIJZAJX-UHFFFAOYSA-N 361.492 3.860 0 40 FHAB CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccccc1 870526 KMWJELBYDAFGSD-UHFFFAOYSA-N 368.462 3.704 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)OCc1nc(-c2ccc(Cl)cc2)no1 23054875 SXBPTAKOPDSIHN-GFCCVEGCSA-N 358.781 3.901 0 40 FHAB O=C(CN1CCN(CCc2ccccc2)CC1)Nc1cccc2ccccc12 23249022 AJWRAMYWSQSSHO-UHFFFAOYSA-N 373.500 3.639 0 40 FHAB CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccncc1 907565 MLSMFNGFXPCECA-UHFFFAOYSA-N 373.869 3.744 0 40 FHAB Cc1cc(OCC(=O)Nc2c(-c3ccc(F)cc3)nc3sccn23)no1 23323748 INSJISFCFFRODK-UHFFFAOYSA-N 372.381 3.516 0 40 FHAB CN(C)c1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 12537117 ATAFPQARYYJAGZ-IBGZPJMESA-N 366.461 3.891 0 40 FHAB COc1ccc(C(=O)[C@@H](C)OC(=O)CCc2ccc3ccccc3n2)cc1 24194259 IBQQDMMJBLGDJX-OAHLLOKOSA-N 363.413 3.991 0 40 FHAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2)c(C)c1 12507962 LIIRDENBIDRJHD-UHFFFAOYSA-N 358.463 3.761 0 40 FHAB C[C@@H](NC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1cc2ccccc2o1 43418915 VQCKDTVXGYGXIV-GFCCVEGCSA-N 358.419 3.719 0 40 FHAB Cc1noc(C)c1CC(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 55647083 VQTXZYNQBAVTAD-CQSZACIVSA-N 365.433 3.685 0 40 FHAB O=C(COC(=O)/C=C/c1ccco1)Nc1ccc(SC(F)F)cc1 3225100 OXQACPUREUOPNO-VMPITWQZSA-N 353.346 3.789 0 40 FHAB O=C(COC(=O)/C=C/c1cccs1)Nc1ccc(C(F)(F)F)cc1 3223269 GEIHUFVTRZIUHO-BQYQJAHWSA-N 355.337 3.962 0 40 FHAB O=C(O)[C@H]1CC(=O)N(c2ccc3oc(-c4cccc(Cl)c4)nc3c2)C1 57327280 CIZCXRWOEYVAGF-NSHDSACASA-N 356.765 3.586 0 40 FHAB Cc1ccccc1CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 23227327 GHNOFBGSAIPAAH-UHFFFAOYSA-N 360.339 3.776 0 40 FHAB COc1cc(OC)cc(C(=O)NCc2ccc(-c3csc(C)n3)o2)c1 12619177 IZVKMBGUZQNHLC-UHFFFAOYSA-N 358.419 3.659 0 40 FHAB O=S(=O)(/C=C/c1ccccc1)N[C@@H](c1ccccc1)c1ccccn1 25658115 JEBVLBWCCOUUCZ-VISDOYDDSA-N 350.443 3.761 0 40 FHAB Cc1ccc(C(=O)N2CCN(C(=O)Nc3ccccc3Cl)CC2)s1 56529849 FWKLLIRMGBWYJL-UHFFFAOYSA-N 363.870 3.700 0 40 FHAB O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1=NCCS1 44817337 ZXWRALALKPFGAD-OWOJBTEDSA-N 368.302 3.956 0 40 FHAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)NCc3cccs3)ccc21 22508472 FGXFHRKXHOUWNC-UHFFFAOYSA-N 373.478 3.841 0 40 FHAB C[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)C(=O)O 2197166 DCXGFVOUQZLNMA-JTQLQIEISA-N 372.471 3.501 0 40 FHAB COC(=O)Cc1c(C)c2ccc(OCc3ccc(C)cc3)cc2oc1=O 2146642 QLLZFDXHMLZVNG-UHFFFAOYSA-N 352.386 3.704 0 40 FHAB biogenic Cc1cc(NC(=O)COC(=O)c2cccc(Oc3ccccc3)c2)no1 3393094 PQMHJWIUXBNBAA-UHFFFAOYSA-N 352.346 3.571 0 40 FHAB CCn1c(NC(=O)c2ccc(NC(=O)C3CC3)s2)nc2ccccc21 10652443 KXLUSRANODKCBK-UHFFFAOYSA-N 354.435 3.719 0 40 FHAB COc1ccc(CCC(=O)N2CCc3[nH]c4ccc(OC)cc4c3C2)cc1 36369939 XCQFHHMKTVOZLO-UHFFFAOYSA-N 364.445 3.703 0 40 FHAB biogenic COc1cc2c(cc1OC)CN(C(=O)/C=C/c1ccccc1Cl)CC2 2364784 MWKFRRJEFXQITM-BQYQJAHWSA-N 357.837 3.955 0 40 FHAB COC(=O)c1c(NC(=O)/C=C/c2cccc(OC)c2)sc2c1CCC2 12769456 ILWCLXATAQZVNE-MDZDMXLPSA-N 357.431 3.684 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCCc2ccccc21 29110293 SMSOBRFKIYQCFA-AEFFLSMTSA-N 358.482 3.622 0 40 FHAB C[C@H](OC(=O)CCC1CCCCC1)C(=O)Nc1ccc2c(c1)OCCO2 12847404 CSZKXCWPUQRYGT-AWEZNQCLSA-N 361.438 3.689 0 40 FHAB O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(F)cc2)CC1 3455033 MFETUVHNFVFSSU-UHFFFAOYSA-N 352.331 3.807 0 40 FHAB Cc1cc(CNC(=O)N2CCC[C@@H](N3CCCC3)C2)c2[nH]c(C)c(C)c2c1 71850155 DGKJKTBPFBOJKW-LJQANCHMSA-N 368.525 3.863 0 40 FHAB COc1ccc(Cl)cc1NC(=O)CN(C)CCOc1ccc(C)cc1 13040320 LVAVSFMPHGBCPT-UHFFFAOYSA-N 362.857 3.606 0 40 FHAB CCc1ccc(-n2ccc(=O)c(-c3nc(-c4ccc(F)cc4)no3)n2)cc1 49006365 FWXVRLDLKZLWHQ-UHFFFAOYSA-N 362.364 3.651 0 40 FHAB O=C(Nc1ccccc1F)N1CCN(Cc2ccc(Cl)s2)CC1 13324938 NJCJOFBWNFSOEN-UHFFFAOYSA-N 353.850 3.890 0 40 FHAB CCN(CC)c1ccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)c(O)c1 65043885 VYMPQSJSSIJDFU-UHFFFAOYSA-N 363.461 3.918 0 40 FHAB Cc1cc(OCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)no1 14015708 IAQSRCFWWODDRG-UHFFFAOYSA-N 363.826 3.701 0 40 FHAB Cc1nn(CC(C)C)c2sc(C(=O)NC[C@H](O)c3ccccc3)cc12 65517829 UTUROCCQDFXGFX-INIZCTEOSA-N 357.479 3.526 0 40 FHAB Cc1c(Cl)cccc1-n1nnnc1[C@@H]1c2ccccc2CC(C)(C)N1C 20478009 UCDQYIIWFBHUAY-SFHVURJKSA-N 367.884 3.980 0 40 FHAB CC[C@@H](Sc1nnc(C)n1-c1ccccc1)C(=O)Nc1nccs1 9096331 OFCPFGMNRLFKEP-CYBMUJFWSA-N 359.480 3.542 0 40 FHAB COC(=O)c1ccc(/C=C/C(=O)Nc2nc3c(s2)CCCCC3)cc1 14554319 SJSGPBLQFNUNBO-FMIVXFBMSA-N 356.447 3.851 0 40 FHAB COc1cccc(OC)c1C(=O)Nc1cc(C)nn1-c1ccc(F)cc1 28244050 CXMMQZYGLQWUQL-UHFFFAOYSA-N 355.369 3.589 0 40 FHAB COc1cccc([C@H](CNc2ncnc3sc4c(c23)CCC4)N(C)C)c1 6786601 KLHBWQKSUQUKBF-INIZCTEOSA-N 368.506 3.903 0 40 FHAB CC(C)c1ccc(NC(=O)c2nnn(Cc3ccccc3Cl)c2N)cc1 4852495 SJHQOXFYEQSRBX-UHFFFAOYSA-N 369.856 3.938 0 40 FHAB C[C@@H]1CCC[C@H](NC(=O)CSc2nnc(-c3cccs3)o2)[C@@H]1C 5829566 STACTNWNQXRPHF-UTUOFQBUSA-N 351.497 3.831 0 40 FHAB Cc1ccc(/C=C/C(=O)OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)o1 4935176 XTVZOGAWQBEFQX-BLGFXRMMSA-N 371.433 3.625 0 40 FHAB CC(=O)c1ccccc1NC(=O)CCCNC(=O)c1ccc(Cl)cc1 6905954 FOXRAFCTJIBTCD-UHFFFAOYSA-N 358.825 3.691 0 40 FHAB COc1ccc(CCC(=O)Nc2nc(-c3ccccn3)cs2)cc1OC 6919923 PQUOOYBYDVHFHE-UHFFFAOYSA-N 369.446 3.794 0 40 FHAB COCc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2ccccc12 5934542 GRFZSLKKGFPYAA-UHFFFAOYSA-N 350.418 3.542 0 40 FHAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c(C)n1C(C)C 7287413 LYSLBVAQHZQYEQ-CQSZACIVSA-N 372.421 3.599 0 40 FHAB O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1cc(F)cc(F)c1 68141031 ZEOORVXZMSOMIO-UHFFFAOYSA-N 363.751 3.641 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1ccc(C(C)=O)cc1OC 7624452 COKFYXVDZMUFEB-CQSZACIVSA-N 357.406 3.621 0 40 FHAB CC(=O)N[C@H](CC(=O)Nc1cccc(Br)c1)c1ccccc1 7609613 GXJDKNMFJUVCJZ-MRXNPFEDSA-N 361.239 3.655 0 40 FHAB O=S(=O)(Cc1ccccc1)Nc1nnc(CCCc2ccccc2)s1 9356472 LDPSVPHAIBWONS-UHFFFAOYSA-N 373.503 3.655 0 40 FHAB Cn1c([C@@H]2CCCN2C(=O)c2n[nH]c3c2CCCCC3)nc2ccccc21 96230719 SPIRRYAQAWMWEE-SFHVURJKSA-N 363.465 3.543 0 40 FHAB CCOC[C@H]1CCN([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 81522142 WMMXOHNOHWSBNJ-JXFKEZNVSA-N 356.441 3.864 0 40 FHAB O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1cc(F)ccc1F 8395618 GKJMIOIPIVRECU-UHFFFAOYSA-N 352.768 3.767 0 40 FHAB Cc1ccc(NC(=O)Cn2cnc3c(sc4ccccc43)c2=O)c(C)c1 17025928 YDONXZIQUHSBRA-UHFFFAOYSA-N 363.442 3.867 0 40 FHAB C[C@H](OC(=O)c1cccc2c1O[C@H](C)[C@@H]2C)C(=O)NCc1ccc(F)cc1 8484902 IRBWDEQJIYBAIQ-MJBXVCDLSA-N 371.408 3.572 0 40 FHAB Nn1c(SCc2cccc(Cl)c2)nc2cc(Cl)ccc2c1=O 71768837 HSYPOWOYMKIXAD-UHFFFAOYSA-N 352.246 3.709 0 40 FHAB COc1ccccc1-c1noc(C2CCN(C(=O)OC(C)(C)C)CC2)n1 71768124 SWEZUQLLMLMZPU-UHFFFAOYSA-N 359.426 3.860 0 40 FHAB C[C@@H]1CN(c2ccc(NC(=O)NCc3ccc(Cl)cc3)cc2)CCO1 97595347 YWGRIUINTDBLTH-CQSZACIVSA-N 359.857 3.887 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 95482414 PJMHZXDPCXMZQJ-ZDUSSCGKSA-N 371.824 3.816 0 40 FHAB COc1ccc(CCN[C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1OC 95419026 KMWPTLUNPJHXAV-AWEZNQCLSA-N 368.477 3.827 0 40 FHAB O=C(COc1ccc(Oc2ccccn2)cc1)Nc1ccc(O)cc1F 95468975 YRHFAHICQPNGNU-UHFFFAOYSA-N 354.337 3.736 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCOc2ccc(F)cc21 88265286 VZPRLHIPPLBCQM-UHFFFAOYSA-N 365.408 3.596 0 40 FHAB COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)c1cnc(-c2ccsc2)s1 89919296 MUYMIXYYFFQZMX-YVEFUNNKSA-N 364.492 3.723 0 40 FHAB COc1cc(C(=O)OCc2nc3ccccc3nc2C)ccc1OC(F)F 39478166 SOXMRFIZBWREFE-UHFFFAOYSA-N 374.343 3.905 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SC(C)C)n2CC 20970951 AWKQVOAOHYHFDA-UHFFFAOYSA-N 355.529 3.587 0 40 FHAB Brc1ccc2[nH]c3c(NCc4ccccn4)ncnc3c2c1 37866285 WDIPMIUJHMRGCI-UHFFFAOYSA-N 354.211 3.881 0 40 FHAB Cc1ccc(C2=NC3(CCN(Cc4cccc(Cl)c4)CC3)NC2=O)cc1 35430892 SXQIMGFZGCNWNO-UHFFFAOYSA-N 367.880 3.560 0 40 FHAB COc1ccccc1CN1Cc2ccccc2OC2(CCN(C)CC2)C1 72394168 VDFHJOFDWXKHLZ-UHFFFAOYSA-N 352.478 3.554 0 40 FHAB CCOc1ccc(-c2nc(CC(=O)Nc3ccccc3Cl)no2)cc1 34791732 PQWQYACPCRDRCO-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB CCN(CC)c1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72212846 WPGMKZLITHBIDD-LJQANCHMSA-N 373.522 3.762 0 40 FHAB O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)Nc1c[nH]nc1-c1nccs1 567151424 LIIDFHDMEYQQET-HIFRSBDPSA-N 369.450 3.575 0 40 FHAB COc1ccc(OC)c([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2)c1 225295374 OFKYHFCOWHIZAW-GFCCVEGCSA-N 369.870 3.538 0 40 FHAB C[C@H](CCc1ccccc1)NC(=S)Nc1ccc(C(=O)N(C)C)cc1 225516267 ZIVAHGYJBWRDKG-OAHLLOKOSA-N 355.507 3.696 0 40 FHAB Cc1ccc(C2(C(=O)Nc3ccc(OCCN(C)C)nc3)CCCC2)cc1 225933425 MGLVPMLHWHFMOU-UHFFFAOYSA-N 367.493 3.781 0 40 FHAB Cc1ccc(C(=O)NCc2ccccc2C)c(I)c1 225012257 FAPLCIQGWQDQOM-UHFFFAOYSA-N 365.214 3.838 0 40 FHAB Cc1ccc(CNC(=S)Nc2nc(C)cc(N3CCCCCC3)n2)cc1 225946123 HTKLIASTWVKEGY-UHFFFAOYSA-N 369.538 3.960 0 40 FHAB COc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2C(C)=O)c(OC)c1OC 226818062 DWMVIHLYMGEANS-SFHVURJKSA-N 368.433 3.718 0 40 FHAB O=C(Cc1c(F)cccc1Cl)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 225677174 MBOJITLKCHBRAJ-CYBMUJFWSA-N 361.800 3.766 0 40 FHAB COc1cc(C)c(C(=O)NC[C@H]2COc3ccccc3O2)cc1C(C)C 225284369 OQXDEVBNBKFVNV-HNNXBMFYSA-N 355.434 3.697 0 40 FHAB COc1cc(C)c(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)c(C)c1 225183593 FAHLBGILUJTUCZ-UHFFFAOYSA-N 373.396 3.809 0 40 FHAB O=C(Cc1csc(-c2ccccc2)n1)N1CC[C@@]2(O)CCCC[C@@H]2C1 80336625 KYNSHKBJKIYDAD-UZLBHIALSA-N 356.491 3.506 0 40 FHAB CCc1ccccc1NC(=O)N1CCCn2cnc(CN(C)C(C)C)c2C1 96259256 DGLQVHQEANAFMY-UHFFFAOYSA-N 369.513 3.724 0 40 FHAB Cc1c(F)cccc1NC(=O)CCCCCN1C(=O)c2ccccc2C1=O 96191701 YYNDBBJREFUGMS-UHFFFAOYSA-N 368.408 3.929 0 40 FHAB COc1nccc(NC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 585080472 XXUBEIBJNSFMRB-GOSISDBHSA-N 360.417 3.665 0 40 FHAB Cc1nc(COC[C@@H]2CCOC23CN(Cc2sccc2C)C3)cs1 248015615 HIDOPNYFYURVPL-HNNXBMFYSA-N 364.536 3.629 0 40 FHAB COc1cccc(Cc2cnc([C@H]3CCCN3C(=O)c3ccccn3)o2)c1 257283368 OXZKIVLFPZDZLK-LJQANCHMSA-N 363.417 3.646 0 40 FHAB Cc1cc(N2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)nc2ccccc12 1775973984 TXTMCTUXMOKWHU-UHFFFAOYSA-N 370.456 3.987 0 40 FHAB CCn1/c(=N\C(=O)c2ccc(C(C)=O)cc2)sc2cccc(OC)c21 97551156 TVWYTPLQKIMUQT-FMQUCBEESA-N 354.431 3.675 0 40 FHAB c1cc(COCC[C@H]2CCOC23CCN(Cc2ccoc2)CC3)ccn1 585105548 ZKDLIZUYRIBATC-FQEVSTJZSA-N 356.466 3.653 0 40 FHAB Cc1cccc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCC[C@H](C)C2)C3)c1 585103149 DOKSTYXWDQIQNN-FPOVZHCZSA-N 370.537 3.738 0 40 FHAB CC(=O)N1CCC[C@H](NCCc2ccccc2F)[C@@H]1Cc1cccc(C)c1 585286935 YCHDJHOXYCUSQF-GOTSBHOMSA-N 368.496 3.888 0 40 FHAB O=C(CSCc1ccncc1)Nc1ccc(Sc2nncs2)cc1 58551238 HLCGDMJUSPCXGB-UHFFFAOYSA-N 374.516 3.956 0 40 FHAB COc1cccc(CN2CCCC[C@@H]2c2cc3nc(C)c(C)c(O)n3n2)c1 12337779 MJTQMVHIMSXLOC-LJQANCHMSA-N 366.465 3.788 0 40 FHAB CCOc1ccc(NC(=O)COc2c(C(=O)O)ccc3ccccc23)cc1 13086121 ZXBAQFCRCCYUPG-UHFFFAOYSA-N 365.385 3.954 0 40 FHAB Fc1cccc([C@H]2C[C@@H](c3cccc(Br)c3)Nc3nnnn32)c1 13123568 IHHHDYSSLPNVGO-LSDHHAIUSA-N 374.217 3.721 0 40 FHAB Nc1cc([C@H]2CCCN(Cc3ccoc3)C2)nc2cc(-c3ccco3)nn12 19342517 IGPXCJSCCTVIAO-HNNXBMFYSA-N 363.421 3.544 0 40 FHAB COc1ccccc1C(=O)N1CCc2onc(Nc3cccc(F)c3)c2C1 19568850 SEXBSXSDXUNJEB-UHFFFAOYSA-N 367.380 3.764 0 40 FHAB CCOC1CCN(CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC1 19716012 QDIYRAWOALIRTK-UHFFFAOYSA-N 359.495 3.558 0 40 FHAB O=C(NCC1CCN(Cc2ccco2)CC1)C12CC3CC(CC(C3)C1)C2 23128006 DMNBOHKBWONAEN-UHFFFAOYSA-N 356.510 3.824 0 40 FHAB c1ccc(-c2nnc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)o2)cc1 32665142 PQHJLWDIACQKJA-QGZVFWFLSA-N 363.417 3.845 0 40 FHAB CCOc1ccc(-c2nnc(SCC(=O)N3CCCC[C@H]3C)o2)cc1 2720344 RNZNWWNGLMPJOA-CYBMUJFWSA-N 361.467 3.628 0 40 FHAB CCc1ccccc1-n1nnc(-c2nc(-c3ccc(Cl)cc3)no2)c1N 4313522 PSSHQCHSQVVUIY-UHFFFAOYSA-N 366.812 3.782 0 40 FHAB CCOc1ccc(NC(=O)c2cccn(Cc3ccc(C)cc3)c2=O)cc1 5270163 AHANFNLISINBPI-UHFFFAOYSA-N 362.429 3.856 0 40 FHAB CC(C)c1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 5438637 HRVROYBLRNGIGP-UHFFFAOYSA-N 372.490 3.992 0 40 FHAB Cc1cccnc1OCC1CCN(C(=O)NCc2ccc(F)cc2)CC1 1775970883 ISYPJMKWWKFZEC-UHFFFAOYSA-N 357.429 3.530 0 40 FHAB COCCn1/c(=N/C(=O)c2nc3ccccc3s2)sc2ccccc21 100872464 AETPTMGOIDWTBT-ZZEZOPTASA-N 369.471 3.700 0 40 FHAB C[C@@H]1Cc2cc(-c3cc(CNC(=O)/C=C\c4ccccc4)no3)ccc2O1 36662329 YGCRYXLTHFRANQ-YYRKOSNBSA-N 360.413 3.995 0 40 FHAB Cc1c(Cl)cccc1S(=O)(=O)NCC[C@H](CCO)c1ccsc1 575605833 DVFBNHDQAXZGST-CYBMUJFWSA-N 373.927 3.545 0 40 FHAB CCOC(=O)COc1ccc2c(=O)c(-c3ccccc3OC)c(C)oc2c1 1464004 KFWDSYALFHTFRZ-UHFFFAOYSA-N 368.385 3.719 0 40 FHAB biogenic CCN(C(=O)c1cccc(CS(C)(=O)=O)c1)[C@H](C)c1ccc(F)cc1 40145810 GCMJKNROVZBDGS-CQSZACIVSA-N 363.454 3.594 0 40 FHAB Cc1nc(NC(=O)c2c3c(nc4c2cnn4C(C)C)CCC3)sc1C 40284732 BTHDCPQYRITBDT-UHFFFAOYSA-N 355.467 3.827 0 40 FHAB C[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1cc2ccccc2o1 32740940 BGBOQHZXAAEKRK-ZDUSSCGKSA-N 362.385 3.577 0 40 FHAB COc1cc(CCC(=O)NCc2ccc(Cl)cc2)cc(OC)c1OC 2620321 YIONIAPUNIICND-UHFFFAOYSA-N 363.841 3.615 0 40 FHAB biogenic Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1C 886596 UASJQJOLIDKELB-AWEZNQCLSA-N 367.478 3.613 0 40 FHAB CCC(CC)(CC)NCC(=O)Nc1ccccc1C(=O)NC1CCCC1 76093225 UDANXYSQCKIXMZ-UHFFFAOYSA-N 359.514 3.856 0 40 FHAB O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)OCCO2 1465309 OWXHYMQJFHSPBV-UHFFFAOYSA-N 367.426 3.926 0 40 FHAB c1cc2cc3c(cc2cc1C[C@@H]1NCCc2cc4c(cc21)OCO4)OCO3 1564842 IGJNEBWJSQFDNV-SFHVURJKSA-N 361.397 3.727 0 40 FHAB CCc1ccc(-c2noc(CNC(C)(C)C(=O)Nc3ccccc3)n2)cc1 79065519 OQMMVRFNONDKNE-UHFFFAOYSA-N 364.449 3.806 0 40 FHAB C[C@@H]1Sc2ccccc2N(S(=O)(=O)c2c[nH]c3ncccc23)[C@H]1C 79105633 GWSDNYIGHBQIQW-RYUDHWBXSA-N 359.476 3.641 0 40 FHAB O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cc(Cl)ccc1Cl 2734271 LBVISDHRSVMBSP-UHFFFAOYSA-N 360.218 3.565 0 40 FHAB Cc1ccccc1OCC(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1 3235667 GTVKLVLUMCMWFM-UHFFFAOYSA-N 368.216 3.863 0 40 FHAB CCc1nnc(SCC(=O)Nc2c(C)cc(C)cc2C)n1-n1cccc1 4518507 SXCJGXHTQYIUAC-UHFFFAOYSA-N 369.494 3.609 0 40 FHAB CCc1ccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1 6354064 SEXQQNMFAKIWDP-UHFFFAOYSA-N 367.474 3.948 0 40 FHAB CCN(CC)CCOC(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1 6462830 QOYXFSFWYDYREN-UHFFFAOYSA-N 373.428 3.968 0 40 FHAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C)c(C)c2)cc1 6880293 SZOPYIUBMPHUTN-UHFFFAOYSA-N 374.506 3.563 0 40 FHAB COc1cc(/C=C/C(=O)Nc2ccc(F)c(F)c2F)cc2c1OCCO2 7777523 SRJPGUJPNMZBDN-GORDUTHDSA-N 365.307 3.536 0 40 FHAB O=C(NCc1ccccc1CN1CCCC1)N1CC[C@@H](c2ccccc2)C1 69922731 MQEHLGCZIYVZQT-JOCHJYFZSA-N 363.505 3.982 0 40 FHAB O=C1Oc2ccccc2[C@@H]2c3sc(=O)[nH]c3S[C@H](c3ccccc3)[C@H]12 12284777 QBSQXDUSRCMDLO-RRFJBIMHSA-N 367.451 3.951 0 40 FHAB COc1ccc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2ccccc2OC)C3)cc1 100766725 LXZHQNNIAJELBU-WOJBJXKFSA-N 367.489 3.824 0 40 FHAB Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 10671226 ALMRIFBOLJCREE-UHFFFAOYSA-N 357.788 3.863 0 40 FHAB NC(=O)N[C@H](CC(=O)Nc1cccc2ncccc12)c1ccccc1Cl 22411269 MNNWQULGQIUQTR-QGZVFWFLSA-N 368.824 3.626 0 40 FHAB O=C(C[C@@]1(O)C(=O)Nc2ccc(Cl)cc21)c1ccc2ccccc2c1 783782 FSBCJCVPYTXNAK-FQEVSTJZSA-N 351.789 3.906 0 40 FHAB O=C1C[C@@H](c2cccs2)c2c(c(C(=O)O)cn2-c2ccccc2F)N1 61718816 FPUFOWSMQNNOGJ-JTQLQIEISA-N 356.378 3.850 0 40 FHAB COc1ccc(CN2[C@@H]3CC[C@@H]2c2cccnc2C3)cc1Cn1cccn1 100727416 NTCMAOWXTSQAFB-WIYYLYMNSA-N 360.461 3.597 0 40 FHAB C[C@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@H]1C2 104818716 CBRNIFWSVABKAH-VKESLTNKSA-N 369.509 3.871 0 40 FHAB COc1ccc(N[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1OC 57739465 MUCUYBXDHUHSRH-HXUWFJFHSA-N 354.450 3.870 0 40 FHAB CS(=O)(=O)Cc1cccc(C(=O)Nc2ccc3c4c(cccc24)CC3)c1 24871487 DTZJTJYRCPHHLX-UHFFFAOYSA-N 365.454 3.735 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3F)n[nH]2)c(OC)c1 57412961 UXFIJMHYRQYGJH-UHFFFAOYSA-N 359.332 3.624 0 40 FHAB Cc1cc(C(=O)COc2ncnc3sccc23)c(C)n1C[C@H]1CCCO1 3343944 ACVHIQOEYRTNSZ-CQSZACIVSA-N 371.462 3.550 0 40 FHAB CC(C)N(C(=O)CNc1ccccc1N1CCCC1=O)c1ccccc1 10180112 UENBNADZCUUCTD-UHFFFAOYSA-N 351.450 3.667 0 40 FHAB O=C1c2ccccc2N[C@]2(C(=O)Nc3cc(F)ccc32)N1Cc1ccccc1 58162074 JCBRFGLQSWPXCB-QFIPXVFZSA-N 373.387 3.699 0 40 FHAB c1ccc(-c2n[nH]c(C3CCN(c4cnc5ccccc5n4)CC3)n2)cc1 58175316 RGRUMTVGBITPAR-UHFFFAOYSA-N 356.433 3.799 0 40 FHAB C[C@H](Sc1nnc(N2CCOCC2)n1C1CC1)c1ccc(F)cc1F 58168568 LWTVWZMRKOBWQX-NSHDSACASA-N 366.437 3.581 0 40 FHAB CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc2c(s1)CCCC2 3363727 NIPNLRRENRRVGT-UHFFFAOYSA-N 372.490 3.736 0 40 FHAB COc1ccc(C[C@@H](C)N(C)C(=O)c2cc(C)nc3onc(C)c23)cc1 58218566 DACZFELHXBXOAJ-CYBMUJFWSA-N 353.422 3.551 0 40 FHAB COc1cccc(OCc2nn3c(-c4cccc(F)c4)nnc3s2)c1 10311615 SISNYMDUJHFXJS-UHFFFAOYSA-N 356.382 3.580 0 40 FHAB COc1ccc(OCc2nn3c(CCc4ccccc4)nnc3s2)cc1 10311918 LUPIVJZJLFDFAF-UHFFFAOYSA-N 366.446 3.559 0 40 FHAB Cc1nc(CSCC(=O)NCCc2ccc(OC(C)C)cc2)cs1 36392029 IYPTZUOWRFFFEJ-UHFFFAOYSA-N 364.536 3.831 0 40 FHAB Cc1nn(CCC(=O)Nc2ccc3c(c2)CCC3)c(C)c1Br 27969263 AVLMVIZXZNMUDG-UHFFFAOYSA-N 362.271 3.780 0 40 FHAB CCONC(=O)c1ccc(COc2ccccc2Br)cc1 48341039 KYNBFNHEUDHWFB-UHFFFAOYSA-N 350.212 3.709 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)CNc3ccccc3C(C)C)ccc21 11621762 SGNFGXSCCHPOBJ-UHFFFAOYSA-N 351.450 3.770 0 40 FHAB CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1cc(C)ccc1C 3583797 CYMFKALQTDFHAS-UHFFFAOYSA-N 371.506 3.534 0 40 FHAB CCNC(=O)N[C@H]1C[C@@H](Cc2cc(-c3ccc(OC)cc3)on2)C1(C)C 67890045 BKWXUOGJOTYVAW-KDOFPFPSSA-N 357.454 3.627 0 40 FHAB biogenic,in-vitro O=C(CSc1nnc(-c2ccccc2)o1)NCc1ccccc1Cl 3602684 RFLWCZHGZKCZLC-UHFFFAOYSA-N 359.838 3.799 0 40 FHAB CO[C@H]1CCC[C@@H](OC(=O)c2ccc(-n3cnc4ccccc43)nc2)C1 92814519 HBPMYGDRPWPEIY-JKSUJKDBSA-N 351.406 3.535 0 40 FHAB COc1ccccc1/C=C/C(=O)Nc1cc(C)nn1-c1nc2ccccc2[nH]1 6315001 MPPTUJOWXOQRKJ-VAWYXSNFSA-N 373.416 3.718 0 40 FHAB C[C@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccccc1 408708448 QFGKJOOTXLFAGR-ZBFHGGJFSA-N 356.853 3.613 0 40 FHAB CCc1ccc(CN2CCC3(CC2)c2ccccc2N(C)S3(=O)=O)cc1 306138977 SMDCHZVORPAGBR-UHFFFAOYSA-N 370.518 3.520 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)/C=C/c3ccc([C@@H]4C[C@@H]4C)o3)ccc21 14168999 HRMWNIXCONTECG-IUAXSJIISA-N 350.418 3.964 0 40 FHAB CC(C)(C)C(=O)N1CCC(C(=O)N[C@@H]2CCSc3ccccc32)CC1 14129316 JYDCRLUDQIWYKV-MRXNPFEDSA-N 360.523 3.624 0 40 FHAB CC(=O)Nc1ccc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc1 14141398 VEVIVAGENRPIKG-CYBMUJFWSA-N 372.494 3.586 0 40 FHAB CSc1ccc(NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1 14197459 OJIAJEDYCOOSMX-UHFFFAOYSA-N 355.868 3.718 0 40 FHAB COc1ccc2oc(C(=O)O[C@H](C)C(=O)N3CCC(C)CC3)c(C)c2c1 4524864 XILODLXDABTUGE-CQSZACIVSA-N 359.422 3.554 0 40 FHAB COc1cc(OC)cc(-c2nn3c(-c4cc(F)ccc4F)nnc3s2)c1 9532129 WVVRTXABPLNQHC-UHFFFAOYSA-N 374.372 3.815 0 40 FHAB CC(C)(C)c1cc(-c2nn3c(-c4ccc(F)c(F)c4)nnc3s2)n[nH]1 71285219 GBIGASDKHUCRRV-UHFFFAOYSA-N 360.393 3.819 0 40 FHAB COc1ccc(-n2c(S[C@H]3CCCC3=O)nnc2-c2ccncc2)cc1 6784806 KQBCKCVGIYPGNJ-KRWDZBQOSA-N 366.446 3.552 0 40 FHAB Cc1nc(CC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cs1 5937038 MOAXYELQKRIMSU-UHFFFAOYSA-N 367.478 3.618 0 40 FHAB O=C(NC1CCCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 9256974 DALHMQHQXWWKPO-UHFFFAOYSA-N 369.914 3.875 0 40 FHAB Cc1cc(NC(=O)[C@H](C)Sc2nnc3cc(C)c4ccccc4n23)no1 7200366 DLXADGJADVMSDJ-LBPRGKRZSA-N 367.434 3.607 0 40 FHAB COC(=O)[C@@H](CCSC)NC(=O)c1ccc(-c2ccccc2Cl)o1 7962881 PUSDVXAWBUKBDL-CYBMUJFWSA-N 367.854 3.625 0 40 FHAB CN(c1ccccc1C(=O)Nc1cc(Cl)ccc1Cl)S(C)(=O)=O 8091336 QDYDEENGCBUOSP-UHFFFAOYSA-N 373.261 3.642 0 40 FHAB O=C(NCc1ccco1)c1cc(Br)c(Br)s1 8180702 UJYKTOMWZBFRFU-UHFFFAOYSA-N 365.046 3.796 0 40 FHAB C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 8230651 BDUXLKGDSCNPLB-HZPDHXFCSA-N 362.429 3.942 0 40 FHAB COCc1nc2ccccc2n1C[C@H](O)COc1ccc(C(C)C)cc1 16903765 RUUWBMNGAKAQGO-KRWDZBQOSA-N 354.450 3.746 0 40 FHAB COc1ccc([C@@H](C)NC(=O)NCCc2c[nH]c3ccccc23)cc1F 9385135 VXLHWPRGCQOBLK-CYBMUJFWSA-N 355.413 3.919 0 40 FHAB Cc1ccc(-n2nnnc2SCc2cc(Cl)c3c(c2)OCCO3)cc1 8427886 LMRXLVSLRWJLBY-UHFFFAOYSA-N 374.853 3.688 0 40 FHAB O=C(Nc1ccccc1N1CCCC1)c1cc(Cl)c2c(c1)OCCO2 9468757 VBVWJZAVZPJLNF-UHFFFAOYSA-N 358.825 3.964 0 40 FHAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cccc(Br)c1 408714004 GFGKGYSLQGKOME-UHFFFAOYSA-N 372.222 3.771 0 40 FHAB CO[C@H]1CCC[C@H](OC(=O)Cc2csc(Cc3ccc(F)cc3)n2)C1 68492345 AMCOLWXCKQRQAL-IRXDYDNUSA-N 363.454 3.916 0 40 FHAB Cc1cc(C)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c(C)c1 30853267 VEFZBSZNEXFAMN-UHFFFAOYSA-N 366.870 3.889 0 40 FHAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 36453199 MBGXOZTZHRIZRO-GOSISDBHSA-N 355.434 3.866 0 40 FHAB COC(=O)c1cccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 30946545 DIMLPBPQESWLEQ-UHFFFAOYSA-N 366.461 3.957 0 40 FHAB COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccccc3F)cc12 2666299 UMBAPDHKDGSXLG-UHFFFAOYSA-N 372.348 3.903 0 40 FHAB biogenic Cc1nnc(SCC(=O)N2c3ccccc3S[C@H]3C=CC=C[C@@H]32)s1 408541397 APJUWSZLYKEQDD-JSGCOSHPSA-N 373.528 3.941 0 40 FHAB Cc1cc(C)c(C)c(OCCc2nc(CC(=O)NC3CCCCC3)no2)c1 521020354 ZFJZBOCKOIWXRU-UHFFFAOYSA-N 371.481 3.608 0 40 FHAB COCC(=O)N1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1 72349273 LWVFORHOIGJQMH-UHFFFAOYSA-N 358.869 3.678 0 40 FHAB CCc1ccc([C@@H]2[C@H](C(=O)O)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 218503534 YXAHSTPDEVDJBO-IXDOHACOSA-N 364.850 3.543 0 40 FHAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCCCOC2CCCCC2)cc1 32720462 NZSXOYSLTITNGE-DNVCBOLYSA-N 358.482 3.750 0 40 FHAB Cc1ccc(-n2ccc(=O)c(-c3nc(-c4ccccc4Cl)no3)n2)cc1 33300377 WZQGMLSYPCJGMS-UHFFFAOYSA-N 364.792 3.911 0 40 FHAB CC(C)C(=O)Nc1ccc2c([C@H](C(=O)O)N3C[C@@H](C)C[C@@H](C)C3)c[nH]c2c1 36360783 JAGVASDJLDZGSM-BIENJYKASA-N 371.481 3.866 0 40 FHAB C[C@@H]1[C@@H](C(=O)O)CCN1Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 565109254 DKDGEKWUUUDSNV-YGRLFVJLSA-N 354.328 3.655 0 40 FHAB CCS(=O)(=O)Nc1cccc(C(=O)NCc2cccc3ccccc23)c1 74377597 OZZKOHNUZOJHNX-UHFFFAOYSA-N 368.458 3.531 0 40 FHAB CCOC(=O)CCCCCCC(=O)c1cc(OC)c(OC)c(OC)c1 43214408 ANOHOTCTIFSBDE-UHFFFAOYSA-N 352.427 3.799 0 40 FHAB O=C(NCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1 42645777 FBRZEBSQMHTFNO-UHFFFAOYSA-N 362.404 3.713 0 40 FHAB COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COCC(C)C 224451035 LCRIEFLDBIUBIH-UHFFFAOYSA-N 357.406 3.849 0 40 FHAB COCc1cc(C(=O)Nc2ccc(Br)cc2)ccc1OC 224396747 FTPSXMVLTCIYGG-UHFFFAOYSA-N 350.212 3.856 0 40 FHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(C(C)C)c1C 223004441 PUIHTUGXSYLTEK-RTBURBONSA-N 372.538 3.700 0 40 FHAB COCCC1(NC(=S)Nc2ccc(OC)c3ncccc23)CCCC1 225877479 RUEUOXFZCMOMHE-UHFFFAOYSA-N 359.495 3.879 0 40 FHAB O=C(c1nccc2ccccc12)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 220759518 BLPBPYSAPKWXNZ-CQSZACIVSA-N 362.433 3.590 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222712499 FQPXPGXNUOZIKT-KBXCAEBGSA-N 371.433 3.501 0 40 FHAB O=C(c1ccco1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 42380089 OFEYPODEQGUBRP-LBPRGKRZSA-N 357.410 3.957 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(CN3CCCC3)cc2)cc1C 44873115 DHZDBHOBYAQTMQ-IBGZPJMESA-N 366.505 3.983 0 40 FHAB Cc1ccc(CCC(=O)NCc2ccccc2CN2CCCC2=O)cc1C 225193014 BUCHSDLGSKSZFS-UHFFFAOYSA-N 364.489 3.675 0 40 FHAB COc1ccc(CN2CC[C@]3(CCCN(Cc4cccc(C)n4)C3)C2)cc1 96216131 AVXBVSFSBGYLSI-QHCPKHFHSA-N 365.521 3.887 0 40 FHAB CCOc1cc(/C=C2/N=C(c3ccc(F)cc3F)OC2=O)ccc1OC 97998200 FNBLTRONDRROEU-OVCLIPMQSA-N 359.328 3.717 0 40 FHAB O=C(COc1ccc(F)cc1)NCc1nn(C2CCCC2)c2c1CCCC2 96099220 ACRKPCHZIDTAIG-UHFFFAOYSA-N 371.456 3.711 0 40 FHAB CCN(C(=O)c1cccc(Nc2cnn(C)c2)c1)[C@H]1CCOC(C)(C)C1 585085620 JLBDFNRDQXIXGQ-SFHVURJKSA-N 356.470 3.583 0 40 FHAB Cc1ccc2c(c1)OC1(CCN(Cc3ccnn3C)CC1)[C@H]1CCCO[C@H]21 257321201 WAOSUXKYOJFKIF-PZJWPPBQSA-N 367.493 3.623 0 40 FHAB Cc1cccnc1Nc1cc([C@H]2CCCN(Cc3ccnn3C)C2)ccn1 257332772 XYOJAALUTNUDQY-SFHVURJKSA-N 362.481 3.642 0 40 FHAB CCCC(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(N)=O)CC1 257266098 MBOUFDZRXDVXFZ-UHFFFAOYSA-N 370.518 3.852 0 40 FHAB COc1ccc(CCC(=O)NCCCN2c3ccccc3C[C@H]2C)cc1 260910224 XJGYQGMDDCJTBP-QGZVFWFLSA-N 352.478 3.585 0 40 FHAB O=C(NCc1cnc(C(F)(F)F)nc1)N[C@@H]1CCc2cc(Cl)ccc21 624330774 DYGODHGHVSMIQR-CYBMUJFWSA-N 370.762 3.636 0 40 FHAB COc1ncc(CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)c(C)n1 672578079 SLMFVZFBUFXLNP-UHFFFAOYSA-N 354.429 3.794 0 40 FHAB COc1cc(Cl)c(C)cc1N[C@H](C(=O)N1CCOCC1)c1ccccc1 57748416 KOEWXQPLIJLKHQ-IBGZPJMESA-N 374.868 3.669 0 40 FHAB C[C@H](C(=O)NC1CCCC1)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 60483505 YWCPAEGZPYOVDC-CQSZACIVSA-N 362.901 3.682 0 40 FHAB C[C@@H]1CN(c2cc(C(C)(C)C)nc(C(C)(C)C)n2)CCN1c1cnccn1 1655957946 FJYJZQPRDWOKTL-OAHLLOKOSA-N 368.529 3.577 0 40 FHAB CC(=O)c1cccc(NC(=O)C[C@H]2Nc3cccc4cccc(c34)NC2=O)c1 5018883 LCKPCFUKSUFKRR-LJQANCHMSA-N 373.412 3.804 0 40 FHAB COc1ccc(C2(NC(=O)c3cc(-c4ccccn4)n[nH]3)CCCC2)cc1 12143770 GGSAQAXCYZFRDH-UHFFFAOYSA-N 362.433 3.680 0 40 FHAB CC(C)(C)c1ncc(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)cn1 12193496 YQCDAXDDMJUSSZ-UHFFFAOYSA-N 371.441 3.608 0 40 FHAB COc1ccc(CN2CCC3(CC2)OCCc2cnc(C(C)C)nc23)cc1 12220559 HGMHSZVRRMQLFN-UHFFFAOYSA-N 367.493 3.673 0 40 FHAB COc1ccccc1C1(O)CCN(Cc2cccc(OC(C)C)c2)CC1 12292908 GBBAJNMPMJQLSZ-UHFFFAOYSA-N 355.478 3.966 0 40 FHAB COc1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)O)cc1Cl 13083463 QUHGOBQHPLFWCP-UHFFFAOYSA-N 370.188 3.718 0 40 FHAB CC[C@H](C(=O)Nc1ccc(C)c(C)c1)N(c1ccc(C)cc1)S(C)(=O)=O 13713060 SSCFXXFPZYLYFM-LJQANCHMSA-N 374.506 3.795 0 40 FHAB CC(=O)NC(=S)Nc1cc(-c2cc3ccccc3oc2=O)ccc1C 14257524 CEZJMUVQJLQKSL-UHFFFAOYSA-N 352.415 3.601 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)CCc1nc(-c2ccc(F)cc2)no1 17156403 QFDLDRHJVXEJAQ-HNNXBMFYSA-N 367.424 3.946 0 40 FHAB O[C@](c1ccccc1)(C(F)(F)F)[C@](O)(c1ccccc1)C(F)(F)F 18062718 AJBYSHYIHCXTJQ-OKILXGFUSA-N 350.258 3.887 0 40 FHAB CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)C1CCCC1 19017461 HSRAFGUWZWTMKJ-BDTNDASRSA-N 368.521 3.962 0 40 FHAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2cc3cnccc3[nH]2)CC1 19078015 QCSRFBTZDMDDQU-AWEZNQCLSA-N 367.424 3.876 0 40 FHAB COc1c(C)cccc1C(=O)N1CCC[C@H]1c1n[nH]cc1-c1cc(C)no1 19235834 SGMNGOVWUDQNOC-INIZCTEOSA-N 366.421 3.667 0 40 FHAB CCc1onc(C)c1C(=O)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1 19521122 DFGHOAADIINNJE-MRXNPFEDSA-N 365.437 3.698 0 40 FHAB CCOC(=O)Nc1cccc(C(=O)N(C)Cc2ccc(OC)c(F)c2)c1 23734900 KJQPZDHAIMBQAE-UHFFFAOYSA-N 360.385 3.675 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)cs2)cc1C(F)(F)F 10514399 KNVQBFSWYQZBMN-UHFFFAOYSA-N 365.354 3.574 0 40 FHAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1c(C)noc1C 24797080 BYOJMAZRMWJZHA-UHFFFAOYSA-N 355.360 3.559 0 40 FHAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2Cc2ccccc2)[C@@H]1CNC1Cc2ccccc2C1 1775964196 WIMCLQNXUNKEEG-UYGLSEIWSA-N 374.528 3.817 0 40 FHAB biogenic,in-vitro O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccccc1Cl 4377245 VWGGUCPXKSYGBE-UHFFFAOYSA-N 374.805 3.595 0 40 FHAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3)cc2)C1 15348602 OYHYENMRXKPTKK-IYBDPMFKSA-N 372.490 3.606 0 40 FHAB O=C(COc1ccc2ccccc2c1)N1CCC[C@@H](Oc2ccncc2)C1 575614067 VXTUYQTYKUBRLB-OAQYLSRUSA-N 362.429 3.684 0 40 FHAB O=C(Cc1csc(-c2ccccn2)n1)Nc1ccccc1-n1cccn1 40088391 ZPRAEFBJUCNATD-UHFFFAOYSA-N 361.430 3.572 0 40 FHAB CC(C)(C)c1n[nH]c(SC[C@H](O)COc2ccc3ccccc3c2)n1 40034462 KYWMUMDQMWPWKU-OAHLLOKOSA-N 357.479 3.787 0 40 FHAB C[C@@H]1CN([C@@H](CNC(=O)CC(C)(C)C)c2c(F)cccc2Cl)CCO1 40106858 MXNJTCFRMMCIRH-CJNGLKHVSA-N 370.896 3.793 0 40 FHAB O=C(NC[C@H](O)c1ccccc1)c1cc(-c2ccco2)nc2ccccc12 32094347 AUQMBUUTHUFWFY-FQEVSTJZSA-N 358.397 3.958 0 40 FHAB Cc1cccc(C)c1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 2637725 XCAZNVZAYZCZMU-UHFFFAOYSA-N 358.747 3.776 0 40 FHAB C[C@@H](Sc1nc2ccccc2s1)C(=O)NCc1ccc2c(c1)OCO2 2626038 HDTAHVQUGITXLL-LLVKDONJSA-N 372.471 3.822 0 40 FHAB CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccccc1 963158 PVVUPZVRFDYHQK-OAHLLOKOSA-N 366.490 3.935 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)cc1C 976246 LMXWUQJXEIWGMX-UHFFFAOYSA-N 366.490 3.754 0 40 FHAB CCSCC[C@]1(CCC(C)C)C(=O)N=C(Nc2ccccc2)NC1=O 1705158 NQSLPNCOKGTOKY-UHFFFAOYSA-N 361.511 3.677 0 40 FHAB Cc1ccc(-c2cc(C(=O)O[C@H]3CCOC3=O)c3ccccc3n2)c(C)c1 2659569 FUCRHNVYTVJSTO-FQEVSTJZSA-N 361.397 3.991 0 40 FHAB COc1ccc(Cc2nnc(Nc3ccc(C(C)C)cc3)[nH]c2=O)cc1 2718704 CAATZJXESJQUMS-UHFFFAOYSA-N 350.422 3.631 0 40 FHAB O=C(CN1CCC[C@@H](O)C1)N1c2ccccc2Sc2ccc(Cl)cc21 3096840 LHACSUDPUPBKCV-CQSZACIVSA-N 374.893 3.926 0 40 FHAB CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C)sc2C)cc1Cl 21869004 QDCHLEQHHYAKCQ-UHFFFAOYSA-N 358.872 3.778 0 40 FHAB CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@@H]1c1ccc(OC)cc1OC 4910065 FAZDYVBBMFUSGG-IBGZPJMESA-N 367.405 3.642 0 40 FHAB O=C(COc1ccc(Br)cc1F)c1ccc2c(c1)OCO2 7200598 SRGNIXAKRXTNQS-UHFFFAOYSA-N 353.143 3.579 0 40 FHAB COc1ccc(-c2noc(CN3c4ccccc4C[C@@H]3C)n2)c(OC)c1 60991916 RPAMGHLCPQXYPK-ZDUSSCGKSA-N 351.406 3.705 0 40 FHAB CC(C)c1noc2ncc(C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)cc12 22682957 LRGZKUXYVJLONQ-KRWDZBQOSA-N 370.428 3.518 0 40 FHAB C[C@H](CCc1ccc(O)cc1)NC(=O)N[C@H](C)CCc1ccc(O)cc1 23053492 UHSUBFDATNOSEW-HZPDHXFCSA-N 356.466 3.739 0 40 FHAB Cc1cc(=O)oc2cc(OC(C)C)c(CCC(=O)Nc3cccnc3)cc12 12324319 FIGMZYWIKSKAQF-UHFFFAOYSA-N 366.417 3.855 0 40 FHAB CC1=C(C(=O)OC(C)C)[C@H](c2c(Cl)cccc2Cl)n2ncnc2N1 940406 NTDWVMWYPKZQGJ-CQSZACIVSA-N 367.236 3.825 0 40 FHAB Cc1cc(C)c2c3c(oc2n1)C(=O)N(c1ccc(Cl)cc1)CC(=O)N3 1036537 ANJNZOQKZSETBH-UHFFFAOYSA-N 355.781 3.697 0 40 FHAB Cc1ccnc(NC(=O)[C@H](C(C)C)n2c(=S)[nH]c3ccccc3c2=O)c1 9834554 MDBWVBOREZRXFD-INIZCTEOSA-N 368.462 3.598 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cccc(Nc3ncccn3)c2)cc1 24537504 FKVXFQZNHUPWGM-UHFFFAOYSA-N 362.389 3.649 0 40 FHAB CCC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 24973407 SUNTUYOKZINOAR-YLJYHZDGSA-N 368.477 3.829 0 40 FHAB CCOC(=O)Nc1ccc(N[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 56158665 RBTNJIMIZYWDBK-GOSISDBHSA-N 353.422 3.687 0 40 FHAB C[C@H](NC(=O)CCN1CCC(C(=O)c2ccccc2)CC1)c1ccccc1 25946785 ZZOZDTFMLJEJDL-SFHVURJKSA-N 364.489 3.849 0 40 FHAB CN1CCN(C(=O)CC23C[C@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)CC1 100775074 SVFLALMSYJMEDE-WSUXWNOTSA-N 352.522 3.689 0 40 FHAB O=C(NCCOc1cccc2ccccc12)c1ccc(N2CCCC2=O)cc1 54591978 KLXKRMYZECENFZ-UHFFFAOYSA-N 374.440 3.775 0 40 FHAB CCOc1ccccc1C(=O)OCC(=O)Nc1ccc(Cl)cc1F 3235525 RGKJCVWUENTBEV-UHFFFAOYSA-N 351.761 3.673 0 40 FHAB O=C(COC(=O)Cc1ccccc1F)Nc1ccc(SC(F)F)cc1 3253811 UIYSWMPVFYORSM-UHFFFAOYSA-N 369.364 3.865 0 40 FHAB CC(=O)N(C)c1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1 58201379 LQJOKURNLLJBIG-UHFFFAOYSA-N 364.405 3.644 0 40 FHAB CC(C)Oc1nnc(SCC(=O)N[C@@H](c2ccccc2)C2CC2)s1 58201156 GRTVABIEEAGELU-HNNXBMFYSA-N 363.508 3.685 0 40 FHAB Cc1ccccc1SCC(=O)Nc1cccc(N2C(=O)NC[C@H]2C)c1 58344594 RRHQXKSZZGXDOQ-CQSZACIVSA-N 355.463 3.644 0 40 FHAB CCOc1ccccc1CCCNS(=O)(=O)Cc1cccc(Cl)c1 10111071 GQUCLKOUTRKRIY-UHFFFAOYSA-N 367.898 3.791 0 40 FHAB CCCC(=O)Nc1c(-c2ccccc2OC)c(=O)c2ccccc2n1C 2214786 LGXTXXHSJGBQEK-UHFFFAOYSA-N 350.418 3.953 0 40 FHAB COc1ccc(CNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1OC 20490305 CNJVXSMXGMUDIR-UHFFFAOYSA-N 363.841 3.669 0 40 FHAB C[C@H](NC(=O)COc1cccc(NC(=O)C2CC2)c1)c1ccc(F)c(F)c1 36396771 HTHSBXUUQURFIE-LBPRGKRZSA-N 374.387 3.570 0 40 FHAB COC(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 3318669 DCFXHTBNOVZFSL-LLVKDONJSA-N 374.853 3.636 0 40 FHAB Cc1cccc(C)c1OCC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12762040 LWSMMFDBKLIJPV-GOSISDBHSA-N 366.461 3.560 0 40 FHAB Cc1ccc(C)c(C(=O)c2ccc(CN3CCC4(CC3)OCCO4)cc2)c1 2514736 GHORKXNTWWRUTC-UHFFFAOYSA-N 365.473 3.873 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)NCCc1cccs1)c1ccc(Cl)cc1 29324628 YIVMXSJASMZNBD-INIZCTEOSA-N 374.897 3.766 0 40 FHAB CCOc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1 11708918 SSTUQSLGPORMAL-JKSUJKDBSA-N 355.482 3.829 0 40 FHAB CC(=O)Nc1ccc(N[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1 48375028 NBQBBNLPBQGOIX-CVEARBPZSA-N 353.466 3.583 0 40 FHAB COC(=O)c1ccc(CS(=O)(=O)Nc2c(C)cccc2C(C)C)cc1 20495515 HXQJILMLMNWCTH-UHFFFAOYSA-N 361.463 3.847 0 40 FHAB NC(=O)CSc1nc(C2CCCCC2)n(-c2ccccc2Cl)n1 3486689 ZLZVOWZHDDLTLG-UHFFFAOYSA-N 350.875 3.546 0 40 FHAB COc1ccc(-n2nnnc2SCc2cccc(C(F)(F)F)c2)cc1 3501900 UHGWDLTWNLSKLU-UHFFFAOYSA-N 366.368 3.982 0 40 FHAB O=C(N[C@H]1CCc2ccccc21)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 12998626 MKAXWWINVJWXFG-RXVVDRJESA-N 370.452 3.996 0 40 FHAB CCc1nc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)CCCC3)cs1 111363054 GCCVDJUWMHOKOI-GFCCVEGCSA-N 350.509 3.624 0 40 FHAB O=C(Nc1ccc(F)cc1F)N1CCN(c2ccccc2Cl)CC1 14094417 HXRYZKHYPFJSNB-UHFFFAOYSA-N 351.784 3.972 0 40 FHAB C[C@@H]1CCCC[C@H]1n1c(-c2cccnc2)nn(CN2CCOCC2)c1=S 14135741 GMZODQTWYRYFLA-NVXWUHKLSA-N 373.526 3.517 0 40 FHAB Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 14199678 XHVLWWXVQWVUCO-UHFFFAOYSA-N 352.781 3.619 0 40 FHAB C[C@H](NCC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1cccs1 14244622 WMTMSWVVNHRGQU-AWEZNQCLSA-N 371.506 3.710 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)[C@]1(C)CC1(Br)Br 4651030 ZJYJCDRTXBZNPQ-QXEWZRGKSA-N 353.098 3.577 0 40 FHAB CC1(C)[C@@H](C(=O)Nc2ccc(Br)cc2)CC[C@@]1(C)C(=O)O 4670531 NAQKTSMBPWSBHC-WBMJQRKESA-N 354.244 3.915 0 40 FHAB CC(=O)N[C@@H](C)c1ccc(-c2csc(NC(=O)c3ccccn3)n2)cc1 8984760 DJJVPUSDMHAMHN-LBPRGKRZSA-N 366.446 3.655 0 40 FHAB C[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)C1 4815961 RQYGBQGUEMQQBG-OXJNMPFZSA-N 364.445 3.843 0 40 FHAB O=C(Cc1ccc2c(c1)OCCO2)OCc1csc(-c2ccccc2)n1 6947350 ZWGWXTNFPCSLNE-UHFFFAOYSA-N 367.426 3.867 0 40 FHAB CCOC(=O)c1c(C)oc2nc(CSc3ccc(OC)cc3)nc(N)c12 7247434 ZPHHDKVRLFXICR-UHFFFAOYSA-N 373.434 3.591 0 40 FHAB Cc1ccc([C@H](CNC(=O)COc2cccc(C)c2C)N2CCCC2)o1 15860254 JMOFIIZPZZTLFV-SFHVURJKSA-N 356.466 3.537 0 40 FHAB COc1ccccc1NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1 8092452 OUQWGWLKJIBPII-UHFFFAOYSA-N 352.356 3.785 0 40 FHAB Cc1c(C)n(C(=O)CN2CCN(Cc3ccccc3)CC2)c2ccccc12 19899424 UNOQLULPJPYZPZ-UHFFFAOYSA-N 361.489 3.716 0 40 FHAB COc1ccc(CC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1F 8125021 WGCWODGKSWKSOW-OAQYLSRUSA-N 373.424 3.662 0 40 FHAB CCOC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)CCC3)cc1 16796198 QILZHVCZYWFAAM-AWEZNQCLSA-N 353.418 3.758 0 40 FHAB C[C@H]1Oc2c(C(=O)Nc3ccc(N4CCCC4=O)cc3)cccc2[C@H]1C 8280159 RQZUUHSFODMWPN-UONOGXRCSA-N 350.418 3.950 0 40 FHAB COC(=O)c1cc(-c2ccccc2OC)nc2onc(-c3ccco3)c12 8342527 HYJZIKNRSIVQSI-UHFFFAOYSA-N 350.330 3.945 0 40 FHAB COc1ccc(/C=C/c2nnc(NC(=O)c3ccc(OC)cc3)s2)cc1 9328633 SYNBNYKZBOYZAG-LFYBBSHMSA-N 367.430 3.978 0 40 FHAB O=C(NCCc1ccc(O)cc1)c1ccc2nc(-n3cccc3)sc2c1 9530828 VDOYSJWEOLBSBN-UHFFFAOYSA-N 363.442 3.765 0 40 FHAB Cc1ccc(NC(=O)CNc2ccccc2C(=O)NC2CC2)cc1Cl 9884707 SBRTYZUWMPKAPL-UHFFFAOYSA-N 357.841 3.591 0 40 FHAB Cc1noc(C2CCN(C(=O)N[C@@H](C)c3ccc(F)c(Cl)c3)CC2)n1 84286627 HIVJKGQHGIPXHD-JTQLQIEISA-N 366.824 3.821 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)Nc1nc2ccccc2s1 72414468 CZWUWRLSUOAERL-UHFFFAOYSA-N 354.840 3.759 0 40 FHAB O=S(=O)(c1ccc(F)c(F)c1F)N(C1CC1)[C@@H]1CCc2ccccc21 84581873 GGMNOLATIYPJCZ-OAHLLOKOSA-N 367.392 3.945 0 40 FHAB Cc1csc2nc(CN[C@H]3c4cccc(F)c4CC[C@@H]3C)cc(=O)n12 95462624 SWGYQQLKCZHSOQ-BBATYDOGSA-N 357.454 3.617 0 40 FHAB CC(C)(C)OC(=O)N[C@@H](CC(=O)OCCc1ccc(F)cc1)C1CC1 95942875 HFDQCURAHPUULV-INIZCTEOSA-N 351.418 3.605 0 40 FHAB Fc1ccc(CN2CC[C@@]3(C2)CN(Cc2cccnc2)c2cccnc23)cc1 306139169 SRGIBSMHBJCYNV-HSZRJFAPSA-N 374.463 3.780 0 40 FHAB COCCn1ccc2c(NC(=O)CCc3ccc4c(c3)CCO4)cccc21 79489610 ISLPXWWUMLTNRC-UHFFFAOYSA-N 364.445 3.794 0 40 FHAB CCc1noc(-c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)n1 33012604 DNCQRLDWZITZNJ-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB CN(C)[C@@H]1CN(Cc2ccc(F)cc2)C[C@H]1c1cn(C)c2ccccc12 72395130 BECKKCKQYAYKKJ-RBBKRZOGSA-N 351.469 3.847 0 40 FHAB CCCOc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1OCCC 72414194 MMXZBGXQBVIRHF-HZPDHXFCSA-N 369.527 3.931 0 40 FHAB CCN(C(=O)COc1cc(C)nc(N2CCCCCC2)n1)c1ccccc1 44170053 SZJSKAWAFODRDR-UHFFFAOYSA-N 368.481 3.597 0 40 FHAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCCc1ccccc1 222826391 UTGKVHWWJGJGPS-MRXNPFEDSA-N 372.896 3.826 0 40 FHAB O=C(Nc1cccc(N2CCOC2=O)c1)c1ccccc1Br 43840541 JOYJGVIWTTWTFH-UHFFFAOYSA-N 361.195 3.658 0 40 FHAB COc1ccc(C(=O)Nc2cccc([C@H](C)O)c2)cc1Br 226274621 FJGWIHYSVQUWSI-JTQLQIEISA-N 350.212 3.763 0 40 FHAB CC(C)Cc1nnc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)s1 44281668 DKANZOMFTHCZPI-UHFFFAOYSA-N 361.858 3.828 0 40 FHAB COCc1cccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 224553630 KUEQAHVFQWVZKL-UHFFFAOYSA-N 356.441 3.823 0 40 FHAB CC(C)(C)OC(=O)n1cnc2c(I)cc(F)cc21 89157295 MYEIQLCDMRTTRA-UHFFFAOYSA-N 362.142 3.563 0 40 FHAB COCCNC(=O)c1cc(N)ccc1Nc1cccc(Cl)c1Cl 225474812 CFYWJADRNJMZEV-UHFFFAOYSA-N 354.237 3.695 0 40 FHAB COc1ccc(/C=C/C(=O)NC[C@H](C)c2ccccc2)c(OC)c1OC 223451351 KRLCUHKWKNFHQX-FQNOHDAGSA-N 355.434 3.646 0 40 FHAB Cc1ccc(N2CCCc3sc(C(=O)Nc4ccccc4C)nc32)nn1 96037465 FHADFMWSRWMWNH-UHFFFAOYSA-N 365.462 3.887 0 40 FHAB Cc1ccc(C(=O)N2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)s1 96109261 BZHVPAMWDHQPQR-XLIONFOSSA-N 356.491 3.911 0 40 FHAB CC(C)n1cc(C(=O)Nc2n[nH]c3cccc(F)c23)c2ccccc2c1=O 95475129 WSCRPPIUMJPQOS-UHFFFAOYSA-N 364.380 3.850 0 40 FHAB Cc1cc(C)nc(N2CCO[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)n1 257343067 ZRINXLXDTMPSPL-HXUWFJFHSA-N 364.424 3.872 0 40 FHAB CN(c1nn(-c2ccccc2C(F)(F)F)nc1C(=O)O)C1CCCCC1 256046110 CSMUGDSPSMJQCW-UHFFFAOYSA-N 368.359 3.753 0 40 FHAB Cc1cc2c3c(c1)C(CSc1ccccn1)=CC(C)(C)N3C(=O)C2=O 253495846 SSENEEWPTSPAIT-UHFFFAOYSA-N 350.443 3.887 0 40 FHAB Cn1cc(CNC(=O)N[C@H]2CCCC23CCCCC3)c(C(F)(F)F)n1 660940667 XYLLCYPCABLDDO-ZDUSSCGKSA-N 358.408 3.741 0 40 FHAB Cc1ccc(CC2CN(C(=O)N[C@@H](C)c3ccc4c(c3)OCO4)C2)cc1 663544741 QKWUGXGOFZELKX-HNNXBMFYSA-N 352.434 3.669 0 40 FHAB CN(C)C[C@@H]1CSCCCN1C(=O)Nc1cccc(C(F)(F)F)c1 90608933 KEEUIFJUXYSBAB-CQSZACIVSA-N 361.433 3.606 0 40 FHAB O=C1CN(c2cnc3cc(Cl)c(Cl)cc3n2)Cc2ccccc2N1 1612535930 HLCBQXUZSXEZMH-UHFFFAOYSA-N 359.216 3.895 0 40 FHAB C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCS[C@H](c2ccccc2)C1 605154921 DKAPSXOLEXXMHW-UZLBHIALSA-N 372.509 3.963 0 40 FHAB COC(=O)[C@@H]1CN(C(=O)N[C@H](c2ccccc2)C2CC2)Cc2ccccc21 598957568 YGWUTMVTNBESKP-WOJBJXKFSA-N 364.445 3.620 0 40 FHAB O=C(NCc1ccnc(-c2ccncc2)c1)c1ccccc1Br 390828780 UGHXRHYFWSEHLR-UHFFFAOYSA-N 368.234 3.836 0 40 FHAB c1ccc2c(CN3CCC[C@H](Cc4cnc(-c5ncc[nH]5)cn4)C3)c[nH]c2c1 585182390 GDKRSPIFVNRRAP-MRXNPFEDSA-N 372.476 3.803 0 40 FHAB Cc1cn2nc(C(=O)Nc3ccccc3)cc2c(N(C)Cc2ccccc2)n1 169776965 UPLGTEPGLFIHBO-UHFFFAOYSA-N 371.444 3.926 0 40 FHAB Cc1ccc2nc(COC(=O)c3cc(Cl)ccc3Cl)cc(=O)n2c1 5427175 QTVBCZYRZMEURR-UHFFFAOYSA-N 363.200 3.667 0 40 FHAB CCCCCn1c(O)c(C(=O)Nc2nccs2)c(=O)c2ccccc21 5826145 SBPHUCOHKSTGCV-UHFFFAOYSA-N 357.435 3.606 0 40 FHAB Cn1ccc([C@H]2CCCCCN2C(=O)c2cc(-c3ccccc3F)no2)n1 12119544 PYKKYFJTGQMNOS-GOSISDBHSA-N 368.412 3.972 0 40 FHAB CSc1ncc(C(=O)N2CCc3c([nH]c4ccc(Cl)cc34)C2)cn1 12290185 IZPDQKXWPRPAID-UHFFFAOYSA-N 358.854 3.532 0 40 FHAB O=C(Cn1c(-c2ccc(F)cc2)cc2cccnc21)NCc1ccccn1 12669639 KTLXTPRJLSSOBJ-UHFFFAOYSA-N 360.392 3.554 0 40 FHAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1cccc(F)c1 14257543 VWXYGWWVSKAHFH-UHFFFAOYSA-N 359.209 3.965 0 40 FHAB COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 16029863 IBBWNQMMLXJTJV-MRXNPFEDSA-N 360.413 3.840 0 40 FHAB COc1ccc2nc(C)c(C(=O)NC[C@@H](C)n3nc(C)c(C)c3C)cc2c1 19556306 NOYNWZQWPOSHQU-GFCCVEGCSA-N 366.465 3.665 0 40 FHAB COc1ccc(CN(C)CCN2CCCCC2)cc1Cc1c(C)noc1C 19581005 PEPIGGNIBKVJJU-UHFFFAOYSA-N 371.525 3.809 0 40 FHAB Cc1cc([C@@H](C)NC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)c(C)s1 152210935 AFGUYADSSLVAEB-ZBFHGGJFSA-N 373.526 3.526 0 40 FHAB O=S(=O)(NCC1(c2ccsc2)CC1)c1ccccc1Br 1888932250 TZMIEOBDPAGMCW-UHFFFAOYSA-N 372.309 3.521 0 40 FHAB COc1ccc(NC(=O)c2cccc(OC)c2OC)cc1OC(F)F 29198572 LTHMKWGBFSFJMN-UHFFFAOYSA-N 353.321 3.566 0 40 FHAB Cc1noc(C)c1CN1CCC[C@H](COc2ncccc2C(F)(F)F)C1 1775995878 MANLMBMJSMPCHX-AWEZNQCLSA-N 369.387 3.996 0 40 FHAB O=C(Nc1cccc2cccnc12)c1ccnc(OCC2CCOCC2)c1 245039145 OHVFALHKMNGBDZ-UHFFFAOYSA-N 363.417 3.688 0 40 FHAB Cc1cccc(C(=O)N2CCC[C@](O)(COc3ccc(F)cc3)CC2)c1 2037912345 JXXSPGXAJBDCOU-OAQYLSRUSA-N 357.425 3.570 0 40 FHAB O=C(Nc1ccc(Cl)cc1)c1ccc(=O)n(Cc2cccc(F)c2)c1 7573806 YDWJAKVMJYZLNU-UHFFFAOYSA-N 356.784 3.941 0 40 FHAB Cn1/c(=N\C(=O)c2ccc(Br)cc2)sc2cc(F)ccc21 11852996 LTCGOMFTQWKBQQ-OBGWFSINSA-N 365.227 3.883 0 40 FHAB CC(C)c1ccc(C(=O)N[C@@H](C(=O)NCCc2ccccc2)C(C)C)cc1 15079867 BLUPSGPNGSDWAU-OAQYLSRUSA-N 366.505 3.923 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)N1CCS[C@@H](c2ccco2)CC1 219458867 NNOVYVVXNBVYKD-OAHLLOKOSA-N 355.456 3.596 0 40 FHAB O=C(N1CC[C@H](Oc2ccncn2)C1)N(c1ccccc1)c1ccccc1 575609884 ABAXETZEIAUJAZ-IBGZPJMESA-N 360.417 3.888 0 40 FHAB COc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2cscn2)c(O)c1 13126009 BCLJOPYNBZVOBX-UHFFFAOYSA-N 368.340 3.582 0 40 FHAB O=C(Cc1noc2ccccc12)Nc1cccc(CN2CCCCC2=O)c1 50474336 LFWIDIZYUIZGFW-UHFFFAOYSA-N 363.417 3.522 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)cc1Cl 20255011 NVBDESMQYRNCMG-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB O=C(NC1CC1)[C@H]1CCCN(C(=O)Nc2cc(Cl)ccc2Cl)C1 51582611 RZQUZHFLHRQHDC-JTQLQIEISA-N 356.253 3.516 0 40 FHAB O=c1oc2ccccc2c(O)c1[C@@H]1NCCc2c1[nH]c1ccc(Cl)cc21 20759772 QASWXKAGRNBQJC-SFHVURJKSA-N 366.804 3.868 0 40 FHAB biogenic CCCC[C@H](NC(=O)c1cc2ccccc2o1)C(=O)Nc1nccs1 20744584 CTFKBWGTCNNFQU-ZDUSSCGKSA-N 357.435 3.817 0 40 FHAB Cc1cc(C(F)(F)F)nc2sc(C(=O)Nc3nccs3)c(N)c12 18195963 RDVMIVYRZKCPNX-UHFFFAOYSA-N 358.370 3.915 0 40 FHAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cccc(Cl)c1Cl 1466571 CGKHRHFUVKPXPI-UHFFFAOYSA-N 363.200 3.618 0 40 FHAB CC(=O)OC[C@@H](COc1cc(Cl)c(Cl)cc1Cl)OC(C)=O 2047938 HSYXGVVMQJQPBX-VIFPVBQESA-N 355.601 3.520 0 40 FHAB COc1ccc(NC(=O)c2noc3c2CCc2cc(OC)ccc2-3)cc1 2466073 HXGZWMDEZQGMHL-UHFFFAOYSA-N 350.374 3.710 0 40 FHAB O=C1[C@@H]2[C@H](c3ccccc3)[C@]2(Cl)C(=O)[C@H]2[C@@H](c3ccccc3)[C@@]12Cl 3957361 UNEGTQFQRVOMCV-AQMNOWNJSA-N 357.236 3.921 0 40 FHAB CCCCN(C[C@H](O)CNc1cc(OC)cc2cccnc12)[C@@H](C)CC 4522423 RVIXLFBINVXPGJ-FUHWJXTLSA-N 359.514 3.917 0 40 FHAB CC[C@H](C(=O)N[C@@H](C)CNC(=O)[C@H](CC)c1ccccc1)c1ccccc1 4903474 LLGHWRVOSHYUBD-WMQCIHAUSA-N 366.505 3.995 0 40 FHAB Cc1nnc(S/C(=C\c2cccn2-c2ccc(Cl)cc2)C(=O)O)[nH]1 6959296 CCVCOVDDJCMSJV-ZROIWOOFSA-N 360.826 3.775 0 40 FHAB CCOC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(C)cc2)c1 683283 NARJQQZYTLHUJW-UHFFFAOYSA-N 353.827 3.626 0 40 FHAB CC[C@H](c1nnnn1C1CCCCC1)N1CCN(c2ccccc2F)CC1 57669465 IANINCIXKHVBOD-GOSISDBHSA-N 372.492 3.591 0 40 FHAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccnc1Cl 679741 GZLYWBFRZVIUAY-UHFFFAOYSA-N 371.780 3.841 0 40 FHAB O=C(Nc1cccc(-n2cnnn2)c1)C1(c2ccc(Cl)cc2)CCCC1 8132431 AGEIOBJLBPCKSW-UHFFFAOYSA-N 367.840 3.766 0 40 FHAB COc1cc(S(=O)(=O)Nc2c(Cl)cccc2Cl)ccc1F 8493935 JZZKZMUAALHBOX-UHFFFAOYSA-N 350.198 3.942 0 40 FHAB CC1CCN(CCCNC(=O)CSCc2c(F)cccc2Cl)CC1 10540330 NJLDLSJUISXMBX-UHFFFAOYSA-N 372.937 3.951 0 40 FHAB O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cc2ccccc2s1 23054628 YLHAXPPJFDDEGD-UHFFFAOYSA-N 364.426 3.803 0 40 FHAB Cc1c(C)n(C[C@@H](O)Cn2nnc3ccccc32)c2c(Cl)cccc12 12421940 VGEJTFZFYDWINT-CQSZACIVSA-N 354.841 3.717 0 40 FHAB COCCn1c(SCc2cc(F)cc3c2OCOC3)nc2ccccc21 58368628 QLMYYIXMUABCFJ-UHFFFAOYSA-N 374.437 3.981 0 40 FHAB CCCCc1ccc(NC(=O)C(=O)NCCOc2ccccc2Cl)cc1 59417383 RBBHBBSJSNVZDE-UHFFFAOYSA-N 374.868 3.816 0 40 FHAB COc1ccc(OC)c(C(=O)CSc2nnc(-c3ccccc3F)o2)c1 928231 SNSFYIKBERCIEY-UHFFFAOYSA-N 374.393 3.868 0 40 FHAB COC(=O)c1ccc2c(c1)[C@@H]1C[C@@](C)(O2)N(c2cccc(Cl)c2)C(=O)N1 101085046 XNFGFTUWPDVFST-HNAYVOBHSA-N 372.808 3.896 0 40 FHAB C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc(F)cc1F 12536563 UOFGYMWALRJABT-GFCCVEGCSA-N 359.376 3.531 0 40 FHAB CCn1cc(C2CCN(C(=O)NCC3(C)Cc4ccccc4C3)CC2)cn1 91936191 COKOXLSCXVCSKY-UHFFFAOYSA-N 366.509 3.597 0 40 FHAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cccnc1)c1nc3ccccc3nc12 100940001 VAFOQKVOZZYXTC-FGZHOGPDSA-N 358.445 3.993 0 40 FHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)C1(c2ccccc2)CCC1 24806163 DEDRPQNIRKEDLQ-UHFFFAOYSA-N 350.462 3.822 0 40 FHAB CC(=O)c1ccc(N2CCN(C(=O)N[C@H](C)c3ccccc3)CC2)c(F)c1 12532869 AHDBYJSAUBPFFQ-OAHLLOKOSA-N 369.440 3.621 0 40 FHAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(-c2cnco2)cc1 47844539 NLEUJJOJLYGBDR-UHFFFAOYSA-N 350.374 3.754 0 40 FHAB CC(=O)N(c1nnc(SCCOc2cc(C)ccc2C)s1)C1CC1 25362111 YVHBDJKMZLWBJQ-UHFFFAOYSA-N 363.508 3.841 0 40 FHAB CC(C)c1n[nH]c(SCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)n1 9496082 FVTYRJRBFFUCMY-CYBMUJFWSA-N 358.511 3.776 0 40 FHAB O=C(NCC[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCCCN1C(=O)c1ccccc1 107334415 IZENGFWMMZMWST-FRYIKTPZSA-N 354.494 3.624 0 40 FHAB Cc1ccc2[nH]c3c(N4CCN(Cc5ccccc5)CC4)ncnc3c2c1 57050784 VCOWTYMXDKKCRD-UHFFFAOYSA-N 357.461 3.742 0 40 FHAB Cc1ccc(C(=O)N/C(=C/c2cccc(Br)c2)C(=O)O)cc1 26463060 JZDIHCWTLUMNJE-XNTDXEJSSA-N 360.207 3.613 0 40 FHAB CCCn1cc(NC(=O)CCc2ccccc2Br)ccc1=O 57144752 KQSMIBVYNZPENR-UHFFFAOYSA-N 363.255 3.592 0 40 FHAB Cc1cc(=O)oc2cc(OC(=O)c3ccc(NC(=O)C4CC4)s3)ccc12 12683508 GIFDSGPVRKTUPY-UHFFFAOYSA-N 369.398 3.731 0 40 FHAB Cc1ccc(-n2ccnc2SCN2C(=O)c3ccccc3C2=O)c(C)c1 10126696 LXHBIKPGINFHBG-UHFFFAOYSA-N 363.442 3.835 0 40 FHAB O=S1(=O)CC[C@@H](NCc2ccc(-c3cccc(Cl)c3Cl)o2)C1 27663806 LZZDVEUFHCROEE-SNVBAGLBSA-N 360.262 3.530 0 40 FHAB CC(=O)N(C)Cc1cccc(NC(=O)CCCOc2cccc(F)c2)c1 58228291 JLJNKNFHLCZJLM-UHFFFAOYSA-N 358.413 3.602 0 40 FHAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nc2ccsc2c1=O 27818380 WHBVGJNUXIRNJR-UHFFFAOYSA-N 373.503 3.826 0 40 FHAB COc1ccc(C(=O)O)cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 20144327 PAIKZKUVQIDDGV-UHFFFAOYSA-N 363.797 3.681 0 40 FHAB COc1ccc([C@@H]2CCCN2CC(=O)N[C@@H](C)c2ccccc2)c(OC)c1 12754681 OOTFVZXBRQSGDV-JXFKEZNVSA-N 368.477 3.718 0 40 FHAB COc1ccc(/C=C/C(=O)N(C)c2nc3ccccc3s2)cc1OC 12788791 PAACSXBDQARPFP-PKNBQFBNSA-N 354.431 3.990 0 40 FHAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccnn1Cc1ccccc1 28291303 BFKZGIODCXTBFM-AWEZNQCLSA-N 355.825 3.991 0 40 FHAB CCO[P@](=O)(c1ccccc1Cl)[C@H](O)C(Cl)(Cl)Cl 2358397 IVPIKQOPYDQLAQ-NIVTXAMTSA-N 351.981 3.969 0 40 FHAB C[C@H](NC(=O)Nc1ccccc1)C(=O)OCc1coc(-c2cccs2)n1 12739755 QEWUSYLOILNSJJ-LBPRGKRZSA-N 371.418 3.657 0 40 FHAB CC(=O)Nc1cccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 12737987 NOWFOPDIWNCQNR-UHFFFAOYSA-N 360.417 3.960 0 40 FHAB O=C1c2ccccc2N[C@H](c2cc3ccccc3[nH]c2=O)N1Cc1ccco1 28511770 PHPLQSAWRXRBOJ-FQEVSTJZSA-N 371.396 3.888 0 40 FHAB Cc1cc(C(=O)OCC(=O)NCc2ccc(Cl)cc2Cl)c(C)o1 3463989 HZLLVXGWUIANOR-UHFFFAOYSA-N 356.205 3.676 0 40 FHAB O=C(COC(=O)c1c(Cl)cccc1Cl)NCCc1ccc(F)cc1 3443199 KGSZSEFTLWJDBM-UHFFFAOYSA-N 370.207 3.648 0 40 FHAB CCC(CC)NC(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 3505937 KMRUFSAVLBHIOL-UHFFFAOYSA-N 374.506 3.820 0 40 FHAB CCc1ccc(OCC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 12906177 HSVXRLDWWMQLRT-SFHVURJKSA-N 366.461 3.505 0 40 FHAB C[C@@H](Sc1nnc(N2CCOCC2)n1-c1ccccc1)c1ccccc1 8707280 YNEQZCWZCBTQFV-MRXNPFEDSA-N 366.490 3.957 0 40 FHAB Cc1ccccc1[C@@H](C)NCC(=O)Nc1cc(Cl)ccc1-n1cncn1 13040721 RUTMFBQOPYGXLM-CQSZACIVSA-N 369.856 3.518 0 40 FHAB C[C@H](NC[C@H]1C(=O)O[C@@H]2CC3=CCC[C@H](C)[C@@]3(C)[C@@H](O)[C@H]12)c1ccccc1 4028414 YSIINEYFHDVBCW-YNWYFPDDSA-N 369.505 3.622 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1Cl 408597359 VBTJCVQYLWURQB-UHFFFAOYSA-N 371.842 3.557 0 40 FHAB COc1c2c(cc3c1[C@H](c1c[nH]c4cc(F)ccc14)N(C)CC3)OCO2 8879916 HRVDDWSWDXRXPC-SFHVURJKSA-N 354.381 3.622 0 40 FHAB biogenic Cc1nnc(SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)s1 5054054 HXHWFPIBOAOZQW-BTLRFMJDSA-N 351.541 3.660 0 40 FHAB CCCOc1ccc(NC(=O)C(=O)NCc2ccccc2OC(C)C)cc1 408709234 QIMWHDOUYCAZKG-UHFFFAOYSA-N 370.449 3.518 0 40 FHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cccs1 8938629 CAFXGQHNTZXYMV-UHFFFAOYSA-N 356.369 3.868 0 40 FHAB COc1ccc(OC)c([C@@H]2CCCN2Cn2nc3ccccn3c2=S)c1 14121048 IFBPHAMBQBWKLJ-INIZCTEOSA-N 370.478 3.677 0 40 FHAB C[C@H](OC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)C(N)=O 5427012 FIJKCECCDLCLCE-NSHDSACASA-N 372.471 3.619 0 40 FHAB CCOC(=O)Cc1csc(NC(=O)c2cc(Cl)ccc2Cl)n1 5592178 NJOKSEGYVYRJAA-UHFFFAOYSA-N 359.234 3.808 0 40 FHAB COc1cc(N[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc(OC)c1 5689828 AMAFQFLILXHUNJ-JTQLQIEISA-N 352.793 3.935 0 40 FHAB CCN(C(=O)COC(=O)c1cn(C)c2ccccc12)c1ccc(F)cc1 5703836 LDCJMJXYMCCQRX-UHFFFAOYSA-N 354.381 3.527 0 40 FHAB Cc1cc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nc2ccccc12 5859459 YAHHBCQFMAXMMB-UHFFFAOYSA-N 352.459 3.995 0 40 FHAB O=C(c1ccco1)N1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 6926621 LVUOKRPGTOQAIM-MFMILTCTSA-N 369.417 3.517 0 40 FHAB biogenic COc1cccc([C@@H](C)NC(=O)COC(=O)c2ccc(C(C)C)cc2)c1 67197908 KJDARGSMDGFDEB-OAHLLOKOSA-N 355.434 3.853 0 40 FHAB COc1cccc(CN(C)[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)c1 5937400 HQYRLDKEQFAXLC-CYBMUJFWSA-N 362.857 3.816 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)c1 64580988 GEUFBYPPKHJGTQ-UHFFFAOYSA-N 357.797 3.795 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)N(C)Cc2ccc(F)cc2)o1 7195812 BPQIDGMASBLRBK-UHFFFAOYSA-N 361.398 3.528 0 40 FHAB Cc1sc2ncnc(SCc3cc(=O)n4c(C)cccc4n3)c2c1C 7213895 RCXJFFHQFYTUTR-UHFFFAOYSA-N 368.487 3.917 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)COc2ccc3c(C)cc(=O)oc3c2C)c1C 7464850 RSNKMWWAQQTYDM-UHFFFAOYSA-N 367.401 3.819 0 40 FHAB O=C([C@@H]1CCCO1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 7780213 FKTMKUHCAUCEJY-BFSLETRISA-N 365.429 3.683 0 40 FHAB Cc1ccc(CN(C)S(=O)(=O)Cc2ccc(Br)cc2)cc1 20493435 QLDZXWXPBBORFT-UHFFFAOYSA-N 368.296 3.719 0 40 FHAB CSc1cccc(NC(=O)CN(C)CC(=O)Nc2c(C)cccc2C)c1 8092741 DGJAEDVUSPYXIX-UHFFFAOYSA-N 371.506 3.534 0 40 FHAB COc1cc(NC(=O)c2cccc(N3CCCC3=O)c2)c(OC)cc1Cl 8031990 YPHIKINDHIPPRU-UHFFFAOYSA-N 374.824 3.736 0 40 FHAB Cc1cc(C)n(-c2ccc3nnc(-c4ccc(Cl)cc4Cl)n3n2)n1 9304500 NOBJZIXZPHAKCP-UHFFFAOYSA-N 359.220 3.901 0 40 FHAB CCc1oc2ccccc2c1CN(C)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C 9388847 ULXFJQVARBUMDK-HNNXBMFYSA-N 368.481 3.805 0 40 FHAB CCc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCOC)cc1 8338518 CAWZVZONLRQTEI-LJQANCHMSA-N 363.413 3.547 0 40 FHAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccccc1OC1CCCC1 71805097 TZJIGFGKEWGCJO-VFNWGFHPSA-N 367.445 3.853 0 40 FHAB O=C(/C=C/c1sc2ccccc2c1Cl)/N=c1\[nH]nc2ccccn12 95349529 USFTVYLVSYDHQR-CMDGGOBGSA-N 354.822 3.671 0 40 FHAB c1ccc2c(N3CCC[C@H]3Cn3cncn3)nc(-c3ccsc3)nc2c1 95393098 MVSFARIMHXVCQW-HNNXBMFYSA-N 362.462 3.619 0 40 FHAB Cn1cc(NC(=O)c2c(-c3ccccc3)n(C)c3ccccc23)ccc1=O 95369243 BKKWCEHHRFPYIQ-UHFFFAOYSA-N 357.413 3.796 0 40 FHAB COc1cn(CC(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)cc1=O 95477056 ORBIJDWAXCHMES-UHFFFAOYSA-N 364.401 3.596 0 40 FHAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)C[C@@H](C)c2c(C)n[nH]c2C)cc1 95444000 KNSRELBKVQUWPI-IUODEOHRSA-N 357.454 3.653 0 40 FHAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccccc1O 408624434 TYLJUMOBHLXACV-UHFFFAOYSA-N 371.245 3.834 0 40 FHAB O=C1c2cccn2[C@H]2CN(CCc3ccccc3)C[C@H]2N1Cc1ccccc1 306137652 RCKKTKNZQWLFJP-XZOQPEGZSA-N 371.484 3.612 0 40 FHAB O=C(NCCCCc1ccccc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 408709339 ZUVKRXGICUWGFH-QGZVFWFLSA-N 370.880 3.832 0 40 FHAB CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(Cl)cc2)CC1 408629368 ZLYUXAGBWKPNIJ-UHFFFAOYSA-N 371.868 3.651 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)c(C)c1 408586623 ARXRNWLSTVNPDP-UHFFFAOYSA-N 360.479 3.551 0 40 FHAB O=C(c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)N1CCCC1 408784950 DQKTWWQIOOMNJO-NRFANRHFSA-N 366.486 3.697 0 40 FHAB CCc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3)C(O)=NC2=S)cc1 33625299 SYERCLCRUIXYKQ-SFQUDFHCSA-N 366.442 3.929 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)NCCOc1ccccc1C(C)C 223837642 LGUOTNNGVCZLJD-UHFFFAOYSA-N 351.443 3.615 0 40 FHAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 225782430 GOJJVEIVFIHWQA-DFQHGPNGSA-N 364.445 3.664 0 40 FHAB Cc1cccc(-c2noc(CN(C)C(=O)CCc3ccc(F)cc3)n2)c1 225122727 LNRFFOGJVNFVOK-UHFFFAOYSA-N 353.397 3.775 0 40 FHAB O=C(NCc1cncc(-c2cccs2)c1)c1ccc2nsnc2c1 225664229 GZZUTSIAQXPSJN-UHFFFAOYSA-N 352.444 3.745 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1 223779351 PMHKVHGGDNYMBZ-INIZCTEOSA-N 372.896 3.826 0 40 FHAB COc1ccc(NC(=S)NCCSCc2ccccc2Cl)cn1 225297884 HSLWJDJDEOXNMF-UHFFFAOYSA-N 367.927 3.963 0 40 FHAB O=C1CCCN1c1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1 225305308 XCQDXQRYTASURY-UHFFFAOYSA-N 359.882 3.953 0 40 FHAB COc1ccc(O[C@@H](C)C(=O)NCCOc2cccc3ccccc23)cc1 223539399 XRCKQTDYUUATKZ-INIZCTEOSA-N 365.429 3.811 0 40 FHAB Cc1ccc(NC(=O)c2ccc(Cl)c(N(C)S(C)(=O)=O)c2)c(C)c1 225973045 ZOHQNGABOTYGHF-UHFFFAOYSA-N 366.870 3.605 0 40 FHAB C[C@@H](COc1ccccc1)NC(=O)COc1cccc(C(F)(F)F)c1 225814779 IRHGLENOSFICSM-ZDUSSCGKSA-N 353.340 3.668 0 40 FHAB COc1cccc(-c2noc(CNC(=S)Nc3ccc(C)cc3C)n2)c1 225821701 LVEGXVJBBADFLE-UHFFFAOYSA-N 368.462 3.849 0 40 FHAB CC1CCN(CCCNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)CC1 223179859 MMVREYJUZGZLCW-GOSISDBHSA-N 358.526 3.571 0 40 FHAB COc1ccc(C(=O)CNC(=O)c2nc(Cl)sc2C(C)C)cc1 95480665 GKQUVNKBGGTUNW-UHFFFAOYSA-N 352.843 3.541 0 40 FHAB O=C(c1cc2ccccc2s1)N1Cc2cncn2[C@@H](COCC2CC2)C1 247955878 VFPGVVTUDUVSEX-QGZVFWFLSA-N 367.474 3.722 0 40 FHAB Cc1cc(-c2cccc(C(=O)O)c2)nc([C@@H]2CCCN2C(=O)C(C)(C)C)n1 257225380 FFXZVEAJZAJEBX-KRWDZBQOSA-N 367.449 3.860 0 40 FHAB CN(C)c1cccc(CC[C@@H]2CCCCN2C(=O)c2cccc(F)c2)n1 257258738 KVHNIALNDDKLTJ-IBGZPJMESA-N 355.457 3.914 0 40 FHAB CC(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCCN2C(=O)OC(C)(C)C 257233737 GQNBUUUWOFTQHT-KZNAEPCWSA-N 362.445 3.540 0 40 FHAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)C1CCN(Cc2ccc(Cl)cc2F)CC1 260801631 IZFVSTLWSVWYOC-RFUYNDQBSA-N 364.892 3.996 0 40 FHAB Cc1cc(C[C@@H](C)NC(=O)Nc2cnc(N3CCCC[C@H]3C)c(C)c2)n[nH]1 547833960 LRIZNKDLBMFISY-GDBMZVCRSA-N 370.501 3.553 0 40 FHAB O=C1C[C@]2(CCN(C(=O)/C=C/c3ccccc3Cl)C2)Oc2ccccc21 96367344 VWWVNDUGHKRXSK-GLCJEOIMSA-N 367.832 3.990 0 40 FHAB Cc1cc(C)cc(C(=O)N2CC3(C[C@@H](OCc4ccccn4)CS3)C2)c1 585104925 MLWSYKXBQITDSZ-LJQANCHMSA-N 368.502 3.615 0 40 FHAB O=C([C@@H]1CCCC[C@@H]1N1CCCC1=O)N1CCCc2cc(Cl)ccc21 585114275 MBYFSLZCMBBMFB-AEFFLSMTSA-N 360.885 3.800 0 40 FHAB CCN(CC)CCOCCC1=NC(C)(C)Cc2cc(OC)c(OC)cc21 5453528 YDBIDCHKMZNWFC-UHFFFAOYSA-N 362.514 3.576 0 40 FHAB CC1(C)CC2=C(CO1)C(=S)N[C@H](c1ccccc1)N2C[C@@H]1CCCO1 5477550 PYWQZNPFVSSDSM-YJBOKZPZSA-N 358.507 3.550 0 40 FHAB COc1ccc(-c2nc3cnccn3c2NCc2ccccc2)cc1CO 12113859 USAANWGUWBBGTB-UHFFFAOYSA-N 360.417 3.509 0 40 FHAB CC(C)c1[nH]c2ncccc2c1CN1CCC(O)(c2cccnc2)CC1 12220340 IBIVUWZFTBORPD-UHFFFAOYSA-N 350.466 3.565 0 40 FHAB COc1cc(OC)c(OC)cc1CN1CCC[C@H]1c1cc2cccnc2[nH]1 12222551 PERITNIZQPRDAP-KRWDZBQOSA-N 367.449 3.926 0 40 FHAB Cc1ccc(-c2csc(NC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)n2)cc1 12932876 JKXZOEDDVLWJNK-RDTXWAMCSA-N 373.503 3.511 0 40 FHAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1Cl 14097656 NLCYGWYPFINOJH-UHFFFAOYSA-N 365.263 3.814 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cc(Br)ccc2OC)c1 14784329 LPMPWMRVUXXATM-UHFFFAOYSA-N 366.211 3.727 0 40 FHAB CCCCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 15339461 GXFMDCAMPWCOJU-UHFFFAOYSA-N 360.479 3.716 0 40 FHAB CC(C)n1nc(C(=O)N(C)Cc2cccc(Cl)c2)c2ccccc2c1=O 15989962 IVFLONQMZOGDKP-UHFFFAOYSA-N 369.852 3.903 0 40 FHAB COc1ccc2cc3c(nc2c1)N(NC(=O)Nc1ccc(Cl)cc1)CC3 16778448 PRZBOMRWHKYURW-UHFFFAOYSA-N 368.824 3.996 0 40 FHAB Cc1cc(OCc2nn3c(=O)c4ccccc4nc3s2)ccc1Cl 17073872 WIILZHUCDBCWPI-UHFFFAOYSA-N 357.822 3.845 0 40 FHAB Cc1cc(C)cc(C(=O)NC(=S)/N=c2/[nH]c(-c3ccccc3)cs2)c1 17075481 AQMUPDIEPQWLPV-UHFFFAOYSA-N 367.499 3.976 0 40 FHAB Cc1ccccc1CC(=O)N1CCC[C@@H]1c1nnc(-c2scnc2C)o1 19237070 DUEXOFUHTYLCPS-OAHLLOKOSA-N 368.462 3.716 0 40 FHAB COc1ccc(C)cc1CSCC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 9316349 NDDBQFDHCYFDLO-UHFFFAOYSA-N 372.490 3.684 0 40 FHAB Cc1ccccc1CSc1nnc(-c2cnccn2)n1Cc1ccco1 16788581 AAOMWWLOUQLDOC-UHFFFAOYSA-N 363.446 3.977 0 40 FHAB O=C(OCc1nc2ccccc2o1)c1cc(=O)c2cc(Cl)ccc2o1 16048649 SYVRQVVLDMLVHC-UHFFFAOYSA-N 355.733 3.945 0 40 FHAB C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc[nH]c2=S)CC1 31214754 FAYTWWRJANNIAR-CYBMUJFWSA-N 361.898 3.917 0 40 FHAB CCn1cc(C(=O)N2CCC[C@@H](Cc3n[nH]cc3C)C2)c2ccccc21 2037684429 DNXXWNCHBDDSGU-INIZCTEOSA-N 350.466 3.788 0 40 FHAB COc1ccc(-c2ccc(SCC(=O)NC3CCCCC3)nn2)cc1 1332279 OTEPKMUASYLQDX-UHFFFAOYSA-N 357.479 3.693 0 40 FHAB O=C(CCn1c(=S)[nH]c2ccccc2c1=O)Nc1ccc2c(c1)CCC2 2971873 ZDPLTVSBEKEHEU-UHFFFAOYSA-N 365.458 3.577 0 40 FHAB O=c1c2cnn(-c3cccc(Cl)c3)c2ncn1C/C=C/c1ccccc1 4479094 ROKOEMRDBYRJDL-VMPITWQZSA-N 362.820 3.949 0 40 FHAB Cc1cccc(CC(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)c1 9036590 IYBSYOBKKLQTAX-UHFFFAOYSA-N 374.440 3.968 0 40 FHAB Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)c2)c(C)c1 15882951 LYYUAEQGZYKXSO-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB O=c1[nH]nc(SCc2ccc(Cl)cc2)n2nc(-c3ccco3)cc12 16844094 ZUDMELBGVYHWQP-UHFFFAOYSA-N 358.810 3.623 0 40 FHAB Cc1ccc2c(c1)OCC(=O)N2Cc1nc(-c2ccc(Cl)cc2)no1 23126083 RBMNKGZNUMYNIQ-UHFFFAOYSA-N 355.781 3.624 0 40 FHAB COc1ccc2cc([C@H](C)C(=O)N(C[C@@H]3CCOC3)C3CC3)ccc2c1 40157469 GAPMBUSTQPGOCN-HOTGVXAUSA-N 353.462 3.979 0 40 FHAB O=C(CCOc1cc(Cl)ccc1Cl)NCc1ccc2c(c1)OCO2 40140067 JAPMPEZKDIUAGO-UHFFFAOYSA-N 368.216 3.807 0 40 FHAB COc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 20357458 UBYPYEQGRAEHIL-UHFFFAOYSA-N 370.478 3.700 0 40 FHAB C[C@@H]1CCC[C@H](N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)C1 20569782 UNBUUESLNYKJKW-NQIIRXRSSA-N 366.505 3.942 0 40 FHAB CC(=O)Nc1ccc(OS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 21325286 CIGOJSCLZPQPNR-UHFFFAOYSA-N 360.218 3.720 0 40 FHAB O=C(Nc1ccc(-n2cccn2)nc1)c1cc(F)c(Cl)cc1Cl 32753002 CLVVCQKCVNTXMF-UHFFFAOYSA-N 351.168 3.966 0 40 FHAB CC(C)CN(C(=O)Cc1cccs1)c1nnc(-c2cccnc2)s1 1356914 SEJGTNXGVRECOW-UHFFFAOYSA-N 358.492 3.893 0 40 FHAB Cc1cccc(C)c1NC(=O)CSc1nc2sc(C)c(C)c2c(=O)[nH]1 1368229 IDOYHPFOUBEARV-UHFFFAOYSA-N 373.503 3.949 0 40 FHAB CC(C)[C@H](NC(=O)Nc1ccc(-c2cc[nH]n2)cc1)c1nc(C2CC2)no1 77711723 ISHOZORHFBDIKW-INIZCTEOSA-N 366.425 3.856 0 40 FHAB COc1cc(OC)c(Oc2cc(OC)c(OC)c(OC)c2)c(OC)c1 1761461 SHSFVRGGAGLRSO-UHFFFAOYSA-N 350.367 3.531 0 40 FHAB Cc1ccc(NC(=O)CSc2nc(C)cc(=O)n2-c2ccccc2)cc1 2783864 CAQOSTJRGGXXIB-UHFFFAOYSA-N 365.458 3.580 0 40 FHAB CCOc1cc(C(=O)Nc2cc(C(=O)OC)ccc2Cl)ccc1OC 32986446 OYDXCJFETOJSDB-UHFFFAOYSA-N 363.797 3.786 0 40 FHAB COc1ccc(OC)c(CNC(=O)CO[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1 32909907 SPEVKMSWWCANLF-QKYXUNIQSA-N 363.498 3.797 0 40 FHAB CC1(C)C[C@@]1(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 4202709 CCOUICUIRXMYBN-OAQYLSRUSA-N 351.402 3.778 0 40 FHAB COc1ccc(CCN2CC(O)=C(c3nc(C)c(C)s3)C2=N)cc1OC 102729304 GRXWAIKCUQTFNB-UHFFFAOYSA-N 373.478 3.582 0 40 FHAB O=C(CCS(=O)(=O)Cc1ccccc1)Nc1ccccc1C(F)(F)F 4814283 ONROEQJUGFFFRT-UHFFFAOYSA-N 371.380 3.649 0 40 FHAB O=C(Nc1ccccc1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 6402647 UPRDCMJBAIMLLG-UHFFFAOYSA-N 370.405 3.879 0 40 FHAB COc1ccc(N2C(=O)C[C@H](Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 6582006 RHHNJXLGTBNERH-HNNXBMFYSA-N 365.216 3.746 0 40 FHAB Cc1cccc(CN2C(=O)N/C(=C/c3cccn3-c3ccc(O)cc3)C2=O)c1 6967267 KMXIVAOXFAUZDE-DEDYPNTBSA-N 373.412 3.584 0 40 FHAB C[C@H](OC(=O)c1ccc(Cl)cc1O)C(=O)NC[C@H](C)c1ccccc1 7199487 CLJYPJFVHUJQBL-STQMWFEESA-N 361.825 3.511 0 40 FHAB C/C=C/C=C/C(=O)OCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 7735411 PKHLDSIOSGICEI-MQQKCMAXSA-N 364.373 3.702 0 40 FHAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)NCc1ccco1 7763687 CMDBLURIGGNZQM-LLVKDONJSA-N 374.491 3.732 0 40 FHAB CCOc1ccc(NC(=O)COc2cccc3c2OC(C)(C)C3)cc1OC 7975528 NVROPMUWQTXEJD-UHFFFAOYSA-N 371.433 3.825 0 40 FHAB O=C(CCc1ccc(Cl)cc1Cl)N[C@@H](CO)Cc1ccccc1 103338946 FCZFMYVYAGUVHA-MRXNPFEDSA-N 352.261 3.646 0 40 FHAB CCOc1ccc([C@H](C)NC(=O)c2ccc3c(c2)OCCO3)cc1OCC 8294737 PFACPKUVJCZYCQ-AWEZNQCLSA-N 371.433 3.746 0 40 FHAB O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2[C@@H](C1)CN2CCCc1ccccc1 107249350 LARNIUFPZLBEBH-TZIWHRDSSA-N 368.908 3.658 0 40 FHAB C[C@H]1Oc2c(C(=O)N3CCN(Cc4ccccc4)CC3)cccc2[C@H]1C 22696542 ULQMHNYBKBCHFS-DLBZAZTESA-N 350.462 3.529 0 40 FHAB CC[C@@H](NC(=O)CSc1ncn(-c2ccccc2)n1)c1ccc(C)cc1 12267799 SEIOKWICDZWVTE-GOSISDBHSA-N 366.490 3.935 0 40 FHAB O=C(NC1CCCC1)C1CCN(Cc2cccc(Br)c2)CC1 819247 FSJXADOZEVNSRG-UHFFFAOYSA-N 365.315 3.720 0 40 FHAB COc1ccc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)cc1 816745 OJOPQRJVAGUSCM-MRXNPFEDSA-N 352.419 3.772 0 40 FHAB Cc1cc(Br)c(S(=O)(=O)N2CCCCCC2)cc1Cl 54363115 NRDSTHLMTJYCTQ-UHFFFAOYSA-N 366.708 3.976 0 40 FHAB COc1cccc(CN(C)C(=O)c2ccc(-n3cccc3)cc2)c1OC 23528124 GSIBFWJRTJLZQZ-UHFFFAOYSA-N 350.418 3.767 0 40 FHAB O=c1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)n1-c1ccccc1 9926729 ILKHKXSSKVWPSW-UHFFFAOYSA-N 362.816 3.854 0 40 FHAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C1=NN(c2ccccc2)C(=O)CC1 23763880 NXBVKVBKNXCPQA-ZDUSSCGKSA-N 371.387 3.667 0 40 FHAB CSc1nc(Cl)c(Cc2ccc(OCC(C)C)cc2)c(NN)n1 1306305 MIBCWTLKIWFGEE-UHFFFAOYSA-N 352.891 3.763 0 40 FHAB O=C(O)C1=C[C@@H](c2ccccc2Cl)n2nc(-c3ccccc3)nc2N1 102335827 LFTBIHGQYOMXQY-HNNXBMFYSA-N 352.781 3.582 0 40 FHAB CCn1cc(Br)c(C(=O)Nc2cc(C)nc3ccccc23)n1 27971450 YASPJWGYLWFADI-UHFFFAOYSA-N 359.227 3.774 0 40 FHAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 69949658 NEERSHUGBBCXJQ-FQEVSTJZSA-N 371.444 3.785 0 40 FHAB O=c1c(Cl)c(NCCOc2ccc(F)cc2)cnn1-c1ccccc1 26776014 DTDAPZPARGDCDB-UHFFFAOYSA-N 359.788 3.516 0 40 FHAB CCCC[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2ON1c1ccccc1 102735779 MVNVHGOJCFGFJL-IPMKNSEASA-N 368.408 3.694 0 40 FHAB O=C(Nc1cnc2ccccc2c1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 72276912 SHJFWGGPEOLOCO-IBGZPJMESA-N 373.456 3.655 0 40 FHAB Cc1cc(N2CCOCC2)ccc1N[C@H](C)C(=O)c1c[nH]c2ccccc12 27180871 DVUYIUFDCKRIHH-MRXNPFEDSA-N 363.461 3.996 0 40 FHAB Cc1cc(C(=O)NCc2ccc(-c3csc(C)n3)o2)c2c(C)noc2n1 10030359 DJKKWOCUDWBDLQ-UHFFFAOYSA-N 368.418 3.795 0 40 FHAB CCOC(=O)[C@@H]1CCCN(C(=S)Nc2ccc(SC(F)F)cc2)C1 3262244 GKUUJMOEARXTRQ-LLVKDONJSA-N 374.478 3.973 0 40 FHAB CCc1ccc(OCC(=O)OCC(=O)c2ccc(OC(F)F)cc2)cc1 3252799 JWVPTUBJVYHQML-UHFFFAOYSA-N 364.344 3.655 0 40 FHAB O=C(CCSc1nnc(Cc2ccccc2)o1)NCCc1ccccc1 58225707 ZBOTYKLKLUBWBP-UHFFFAOYSA-N 367.474 3.502 0 40 FHAB O=C(NCC(=O)N1CCCc2ccccc21)c1cc2c(s1)CCCCC2 58430532 JZDMVQGVNKTQBR-UHFFFAOYSA-N 368.502 3.726 0 40 FHAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1F 10648239 DRBBWFLFJDLADO-UHFFFAOYSA-N 359.250 3.779 0 40 FHAB Cc1cc2n(c1C(=O)C(F)(F)F)CCn1c(C(=O)C(F)(F)F)ccc1-2 2306154 GXSLTWUHLOOPTD-UHFFFAOYSA-N 364.245 3.769 0 40 FHAB CCc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2CC)cc1 2381789 AGIBLYOMRHHLJJ-UHFFFAOYSA-N 367.478 3.653 0 40 FHAB O=C1O[C@H](C(=O)N(Cc2ccco2)c2cccc(F)c2)Cc2ccccc21 45514633 LBSHOOXTRQDTIN-IBGZPJMESA-N 365.360 3.734 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cc(=O)c2ccccc2o1 3324250 GWWVBYMDAVZYPV-UHFFFAOYSA-N 361.353 3.622 0 40 FHAB CC(=O)c1cccc(OCc2cc(C(=O)N(C)Cc3ccc(C)o3)no2)c1 12705132 KETUQBGPMYUQCB-UHFFFAOYSA-N 368.389 3.630 0 40 FHAB CC(C)c1ccc(OCC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1 12737913 GPOKLVYFGWESPE-MRXNPFEDSA-N 364.449 3.647 0 40 FHAB COc1ccc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1OC(F)F 12807236 QMYKUDNULYWPLI-HNNXBMFYSA-N 369.751 3.892 0 40 FHAB COC(=O)c1ccc(NC(=O)c2cc(F)ccc2Br)c(C)c1 12928212 IGLIDTWFURLHEY-UHFFFAOYSA-N 366.186 3.936 0 40 FHAB Cc1ccc(CN(C)C(=O)[C@H](C)NC(=O)OCc2ccccc2)c(C)c1 12982154 JTLGZWODRCOJRC-KRWDZBQOSA-N 354.450 3.577 0 40 FHAB COc1ccc(CCNC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1 8749116 SVVXATHSTSKZLA-UHFFFAOYSA-N 370.449 3.859 0 40 FHAB CCOC(=O)Nc1cccc(C(=O)OCc2ccc(-n3cccn3)cc2)c1 8546096 WYPGEDAINSMBKN-UHFFFAOYSA-N 365.389 3.798 0 40 FHAB CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(Cl)cc2)CC1 4054137 AEEWWLSFBHNBIG-UHFFFAOYSA-N 364.276 3.998 0 40 FHAB CCN(CC)CCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 4278789 ZJDRRKNLMXXMKO-IBGZPJMESA-N 353.466 3.998 0 40 FHAB COc1ccccc1C(=O)Nc1cccc(C(=O)Nc2nccs2)c1 13843251 DHJPVFWBGZPVMW-UHFFFAOYSA-N 353.403 3.656 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)OCCOc3ccc(F)cc3)cc2)n1 6281413 KTJKEHAJFVTYPU-UHFFFAOYSA-N 354.381 3.864 0 40 FHAB CCN1C[C@@H](CN(C)C(=O)N[C@H](C)c2cc(C)oc2C)Oc2ccccc21 65494518 PUJRDXCFIRDZER-NVXWUHKLSA-N 371.481 3.886 0 40 FHAB O=C(CCc1ccco1)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 14129199 VICXYFCFVAEOJK-UHFFFAOYSA-N 367.430 3.859 0 40 FHAB C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)c1ccc(Cl)cc1 4555266 QZKABEWLXKGTPH-HIFRSBDPSA-N 371.820 3.508 0 40 FHAB CN(C)[C@@H](CNC(=O)c1ccc(SC(F)(F)F)cc1)c1ccco1 14202144 HSQWKXVKTXQPDG-ZDUSSCGKSA-N 358.385 3.924 0 40 FHAB Cc1ccc(NC(=O)COCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)cc1Cl 4681349 VESUGRZOBNUSRC-IFIJOSMWSA-N 366.889 3.544 0 40 FHAB CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)c1cc(Cl)nnc1Cl 4619870 AURKZIUQIINTOQ-UHFFFAOYSA-N 363.241 3.550 0 40 FHAB Cc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)n1 21894302 ZCHMMGGCVMJKPO-UHFFFAOYSA-N 355.401 3.890 0 40 FHAB Nc1nc(CSc2nc3ccccc3o2)nc(Nc2ccccc2)n1 5701963 VNCPORNVAZGIIU-UHFFFAOYSA-N 350.407 3.631 0 40 FHAB CCCN(C(=O)c1ccc(C2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 6880257 KGBDLWXTKQRPRE-LJQANCHMSA-N 363.523 3.774 0 40 FHAB COc1ccc(-n2cnnc2SCC(=O)c2ccc(Cl)s2)cc1 5884878 ZSEZCEMPSJYDGG-UHFFFAOYSA-N 365.867 3.966 0 40 FHAB CC[C@H](C)NC(=O)c1ccc(Oc2nccnc2N2CCCCC2)cc1 67323936 AOMIEJUPNKLGQJ-HNNXBMFYSA-N 354.454 3.788 0 40 FHAB CCOc1ccc(C(C)=O)cc1COc1ccc(C(=O)OC)cc1OC 7438022 RAQBMWMQTKYVJT-UHFFFAOYSA-N 358.390 3.662 0 40 FHAB Cc1ccc(C(=O)CCC(=O)Nc2cc(S(C)(=O)=O)ccc2C)cc1C 15816812 BMNACTKJMMJSTD-UHFFFAOYSA-N 373.474 3.617 0 40 FHAB CC(=O)N[C@@H](CC(=O)N[C@H]1CCSc2ccccc21)c1ccccc1 8267979 QWXWGHIMZYGMNR-ROUUACIJSA-N 354.475 3.607 0 40 FHAB COc1ccc(-c2nnc([C@@H](C)Nc3ccc(NC(C)=O)cc3)o2)cc1 9368102 RDCSSYCGPCWKMR-GFCCVEGCSA-N 352.394 3.877 0 40 FHAB CC(C)[C@@H]1C[C@@](CC(=O)NCCCN(C)C)(Cc2ccccc2)CCO1 9486019 KYHWDEMTSLKBIC-UNMCSNQZSA-N 360.542 3.509 0 40 FHAB CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)n2c1nc1ccccc12 19819426 NVRNVPNCDKNDEB-GOSISDBHSA-N 362.433 3.753 0 40 FHAB C[C@@H](NC(=O)c1cn(C)c2ccc(F)cc2c1=O)c1ccc(Cl)cc1 22236540 RRFHKFKATLLGOJ-LLVKDONJSA-N 358.800 3.822 0 40 FHAB Cc1ccccc1[C@H]1CC(=O)c2c(C)nc(NC[C@@H]3CCCO3)nc2C1 9575418 MSZXKCNVXIPWOV-CVEARBPZSA-N 351.450 3.597 0 40 FHAB CC1CCN(CCNC(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)CC1 71932897 ZDIYGIUWWNBDNO-UHFFFAOYSA-N 358.486 3.979 0 40 FHAB Clc1cc2c(c(CSc3nnc(NC4CC4)s3)c1)OCOC2 22173666 CVBYDKQETKWVEG-UHFFFAOYSA-N 355.872 3.925 0 40 FHAB O=C(NCc1ccccc1)NCc1ccc(COCC(F)(F)F)cc1 9756814 WEWXWGCRSRCJLN-UHFFFAOYSA-N 352.356 3.765 0 40 FHAB O=C(/C=C/c1c(Cl)nc2ccccn12)N[C@H]1C[C@H]1c1ccc(F)cc1 84606527 VBYJMOTUCREWLJ-JJGIJDNGSA-N 355.800 3.812 0 40 FHAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccccc1OCC)cn2C 22237243 RYQNLKWWEOCVGY-UHFFFAOYSA-N 366.417 3.588 0 40 FHAB CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1nc2c(s1)CCC2 95947845 SCDJQXYREYPYGD-UHFFFAOYSA-N 372.475 3.964 0 40 FHAB CCCCN1CC(F)(F)C[C@@]2(CCCN(Cc3cccc(C)n3)C2=O)C1 306142421 WZBUVIPOGCZBOU-IBGZPJMESA-N 365.468 3.640 0 40 FHAB C[C@@H](NC(=O)c1cc(-n2cnnc2)ccc1Br)c1ccccc1 35684160 ATDXGPZLXGCHAH-GFCCVEGCSA-N 371.238 3.521 0 40 FHAB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCC2)Nc1ccccc1 33683634 SWMGOSFHZBLPSK-UHFFFAOYSA-N 353.369 3.715 0 40 FHAB CCc1nnc(C2CCN(C(=O)c3ccc(F)cc3Cl)CC2)s1 38666592 RCSANIQIOJCPKL-UHFFFAOYSA-N 353.850 3.913 0 40 FHAB Cc1ccc(S(=O)(=O)N2c3ccc(Br)cc3C[C@H]2C)cc1 34876104 NVVFBQMULYNVAE-GFCCVEGCSA-N 366.280 3.897 0 40 FHAB COc1ccc(/C=C2\SC(=O)N(CNc3ccccc3OC)C2=O)cc1 33371656 JUSGNJBNCWGRFV-BOPFTXTBSA-N 370.430 3.810 0 40 FHAB O=C(Nc1ccccc1C(F)(F)F)c1csc(-c2cnccn2)n1 44123953 JSYFEZNEDJMBLW-UHFFFAOYSA-N 350.325 3.871 0 40 FHAB CC[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1OC)c1ccccc1 44900035 TUHVTSJGSWCIAY-VSOYFRJCSA-N 355.434 3.993 0 40 FHAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cc(C)ccc1C 225404547 VQHKXBOYJHLPAI-MRXNPFEDSA-N 372.896 3.663 0 40 FHAB O=C(Cn1c(/C=C/c2ccccc2)nc2ccccc21)NC[C@H]1CCCO1 40300758 ZKUATUMRCXKYAJ-QFQMRYFISA-N 361.445 3.502 0 40 FHAB CC1(C)[C@@H]2CC[C@]1(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C2 195532217 DCTHVLSDKDXVPO-UVBSCNOISA-N 371.449 3.628 0 40 FHAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1 225066671 QKZSAEFFHMEDHL-KRWDZBQOSA-N 370.474 3.959 0 40 FHAB Cc1cc(N2CCCC2)nc(NC(=S)NCc2ccccc2Cl)n1 225938172 HJYTXWOLCHKJNE-UHFFFAOYSA-N 361.902 3.525 0 40 FHAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222710582 LTLWUIVSIQRBNV-MAUKXSAKSA-N 355.434 3.801 0 40 FHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(F)cc1 224446389 BOYJUAFEVVQIBY-KRWDZBQOSA-N 351.805 3.832 0 40 FHAB CC(C)c1oc([C@H]2CCCN2CC(=O)NC2CC2)nc1-c1ccccc1 532732531 FIUBXOWTSFXRSX-QGZVFWFLSA-N 353.466 3.881 0 40 FHAB CC[C@@]1(C)CCCN(c2nnc(-c3ccccn3)n2Cc2ccco2)C1 585080668 CXPSVOBCYWRMME-FQEVSTJZSA-N 351.454 3.998 0 40 FHAB CC(C)n1cc(-c2cnc(C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cn2)cn1 257222814 DUUDVFZVFFOOAR-HNNXBMFYSA-N 371.485 3.721 0 40 FHAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@H](c3nnc(S)n3C3CC3)C2)C1(C)C 111137096 YABSOMLHIZSOSZ-NUEKZKHPSA-N 374.554 3.846 0 40 FHAB COc1ccc2nc([C@H]3NC(C)(C)C(=O)N3c3ccccc3)sc2c1 639418883 AQWSPVPFCXJGHG-INIZCTEOSA-N 353.447 3.719 0 40 FHAB Cc1cccc(-n2cc([C@H]3NC(C)(C)C(=O)N3CC(C)(C)C)c(C)n2)c1 639425191 LWRQTDDVPHKRQC-SFHVURJKSA-N 354.498 3.744 0 40 FHAB CCn1ncc2cc(C(=O)N3CCCCc4c(OC)cccc43)c(C)nc21 685045214 SILABQIGBVBUMI-UHFFFAOYSA-N 364.449 3.751 0 40 FHAB COC(=O)N1CCc2ccc(NC(=O)Cc3ccccc3Cl)cc2C1 96096255 JPXPOCNVCDVIAB-UHFFFAOYSA-N 358.825 3.646 0 40 FHAB Cc1nc(-c2ccccc2)sc1CNC(=O)c1ccc2nccnc2c1 96342231 NREMEDFEHPLVSN-UHFFFAOYSA-N 360.442 3.992 0 40 FHAB FCCC1(c2nc(-c3ccc(I)cc3)no2)CC1 572892747 QSUSXGGKLKETGO-UHFFFAOYSA-N 358.154 3.732 0 40 FHAB Cc1ncc(CN2CC[C@@]23CCCN(C(=O)C2(C)CCCCC2)C3)s1 585101735 CJHKZLXHBGQSEW-HXUWFJFHSA-N 361.555 3.989 0 40 FHAB COc1ccccc1S(=O)(=O)Nc1ccc(Oc2ccc(C)cc2)nc1 55621666 JXVYEISBSKXUMB-UHFFFAOYSA-N 370.430 3.992 0 40 FHAB Cn1cc(-c2nc(C(=O)OCc3ccc(OC(F)F)cc3)cs2)cn1 58161598 SDWSGPHRYUAHRA-UHFFFAOYSA-N 365.361 3.502 0 40 FHAB CCC[C@H](CCO)CNC(=O)c1csc(-c2ccccc2Cl)n1 72311570 LIVHWVKCIGUYCE-GFCCVEGCSA-N 352.887 3.992 0 40 FHAB C[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc(Br)s1 7375128 HEDPORLSZSOERE-LLVKDONJSA-N 374.325 3.810 0 40 FHAB CCc1ccc(C(=O)Cn2nnc(-c3ccc(Br)cc3)n2)cc1 5255607 ZUZUWSBLDJJUTP-UHFFFAOYSA-N 371.238 3.548 0 40 FHAB O=C(NC1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1)c1ccccc1 11227006 WHJVVMRKUOUIJZ-DHZHZOJOSA-N 368.864 3.774 0 40 FHAB O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccc2[nH]nnc2c1 12016516 JHWFYPSWDKWHRY-UHFFFAOYSA-N 369.837 3.911 0 40 FHAB COc1ccc(C(=O)N2C[C@H]3CCCN(Cc4ccc(C)cc4)[C@H]3C2)cc1 12188387 NCBMHRLMQRAVGG-IRLDBZIGSA-N 364.489 3.740 0 40 FHAB O=C(C1CCCCC1)N1CCC(c2nc(O)cc(-c3ccccn3)n2)CC1 12256360 DQWOKZJXBZROJS-UHFFFAOYSA-N 366.465 3.531 0 40 FHAB CCC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 12526025 YVAJUYGDTKNICI-ZDUSSCGKSA-N 364.442 3.545 0 40 FHAB COc1cccc(C(=O)N[C@H](C)c2nc(-c3ccccc3Cl)no2)c1 13494872 MIHBJYYXTOADCH-LLVKDONJSA-N 357.797 3.890 0 40 FHAB O=C(NC1CCN(Cc2ncc(-c3ccccc3)o2)CC1)c1ccccc1 14708275 YUKVOIBLEMTZIZ-UHFFFAOYSA-N 361.445 3.736 0 40 FHAB Cc1nc(-c2cccc(NC(=O)COC(=O)Cc3cccs3)c2)cs1 18769069 LZNUYACQCCOPJH-UHFFFAOYSA-N 372.471 3.904 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)C[C@@H](C)n2nc(C)cc2C)c(OC)c1 19572837 RDODCXKTBBCFIE-APWZRJJASA-N 371.481 3.832 0 40 FHAB CC(C)C(=O)N1CCO[C@H](c2ccc(Cc3ccccc3Cl)cn2)C1 19692873 GZIHTLUAZRJGKI-IBGZPJMESA-N 358.869 3.882 0 40 FHAB Cc1ccc(NC(=O)CSc2nncn2-c2ccccc2F)c(C)c1 6129425 HAOHJDLMNXVOJF-UHFFFAOYSA-N 356.426 3.754 0 40 FHAB c1ccc2c(N3CCN(c4nc5cnccc5s4)CC3)nsc2c1 1888929350 WVXVQIVAAZIJKN-UHFFFAOYSA-N 353.476 3.628 0 40 FHAB CCN(CC)[C@@H](CNC(=O)c1cc(-c2ccco2)on1)c1ccccc1 27087769 JDNJWZDCXFIPDY-KRWDZBQOSA-N 353.422 3.748 0 40 FHAB COc1cc(OC)cc(C(=O)c2cc(Br)ccc2OC)c1 36944756 YXROEBCJFPMOBN-UHFFFAOYSA-N 351.196 3.706 0 40 FHAB in-vitro Cc1cc(OC[C@H]2CCCN(C(=O)NCc3ccc(F)cc3)C2)ccn1 1775972461 HGVJXBDHUMVCCG-KRWDZBQOSA-N 357.429 3.530 0 40 FHAB COc1cccc([C@@H](c2sc3nc(C)nn3c2O)N2CCC[C@@H](C)C2)c1 23157824 YKZFUISDXBVZIP-WBMJQRKESA-N 372.494 3.635 0 40 FHAB O=S(=O)(NCc1cncc(-c2ccsc2)c1)c1cccc(Cl)c1 206949972 CXCDPUXNNYCUOH-UHFFFAOYSA-N 364.879 3.942 0 40 FHAB O=S(=O)(NCc1cncc(-c2ccco2)c1)c1ccc(F)c(Cl)c1 575617502 DMDVACAJTSWCTE-UHFFFAOYSA-N 366.801 3.613 0 40 FHAB CCOc1ccc(-c2noc(-c3cn(C)c4ccc(F)cc4c3=O)n2)cc1 57354795 KLOUASSRXWTCOI-UHFFFAOYSA-N 365.364 3.793 0 40 FHAB C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)CSc1ccccc1Cl 40069795 ZMCYQNGRCAMYKP-OCCSQVGLSA-N 374.893 3.826 0 40 FHAB COc1ccccc1CC(=O)Nc1cc(N2CCCC2=O)ccc1Cl 40090712 DOFRBSHQDPVLBG-UHFFFAOYSA-N 358.825 3.657 0 40 FHAB Cc1nc(-c2ccccc2F)sc1C(=O)NCc1ccc(C(=O)O)cc1 20715618 CSOMUKXYNYUYGQ-UHFFFAOYSA-N 370.405 3.886 0 40 FHAB CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)[C@@H]2C[C@H]2C)nc1C 32736054 FCJXWJZBLGINOG-IUODEOHRSA-N 358.463 3.817 0 40 FHAB O=C(NCCc1ccccn1)c1cc2ccccc2cc1NC(=O)C1CC1 21439612 IHHWFKRXDALPHK-UHFFFAOYSA-N 359.429 3.556 0 40 FHAB Cc1csc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)n1 2650658 SWVKWZTWISLPIA-KRWDZBQOSA-N 365.458 3.951 0 40 FHAB COc1cc([C@H](C)NC(=O)c2cccc(OC)c2O)ccc1OC(F)F 32915253 ZTPDHGREDODNDB-JTQLQIEISA-N 367.348 3.502 0 40 FHAB O=C(Nc1cccc(-n2cccc2)c1)[C@H]1CCCN(C(=O)c2ccco2)C1 32933224 UMXSAGWRDJEUFO-INIZCTEOSA-N 363.417 3.561 0 40 FHAB Cc1c(C(=O)N(C)[C@H](C)C2CC2)cnn1-c1ccc(Br)cc1 32909723 RBYFBXHCWSGGDK-LLVKDONJSA-N 362.271 3.814 0 40 FHAB O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Br)cc1 4203374 PPNBMQUTFASJPB-DLBZAZTESA-N 360.251 3.749 0 40 FHAB O=C(O)C1[C@@H](c2ccccc2)C(C(=O)N2CCCCC2)[C@H]1c1ccccc1 4976524 JVYYEBJUKPRIEX-WHSGIHJSSA-N 363.457 3.897 0 40 FHAB Cc1cccc2nc(CSc3nnc(C4CCCCC4)o3)cc(=O)n12 7215635 NMKBABGNIKYQAX-UHFFFAOYSA-N 356.451 3.726 0 40 FHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)N(C(C)C)C(C)C 8089986 CGQRWHIUHGRWGZ-UHFFFAOYSA-N 360.527 3.626 0 40 FHAB COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)cc1OC 8516969 KZEFQCQTIIIUOX-KRWDZBQOSA-N 363.479 3.770 0 40 FHAB CCCCNC(=O)[C@H](C)N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 53073939 JBBIEAXOEXCLAA-HNNXBMFYSA-N 355.482 3.570 0 40 FHAB C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccccc1S(C)(=O)=O 47397191 HEGZJABFZWBRTG-LBPRGKRZSA-N 366.870 3.968 0 40 FHAB CCC[C@H](C)c1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)s1 692017 QKGCHEGUPZLNHF-KBPBESRZSA-N 372.494 3.742 0 40 FHAB CCCCOc1ccc(NC(=O)C(=O)NC[C@H](C)c2ccccc2)cc1 9232693 ZMVHDEMTPLAXAX-INIZCTEOSA-N 354.450 3.724 0 40 FHAB CC(=O)Nc1ccc2nc(NC(=O)COc3ccc(C)c(C)c3)sc2c1 814051 VRJGSNXVSVMZBB-UHFFFAOYSA-N 369.446 3.889 0 40 FHAB COC(=O)c1cc(CN(C)C(=O)c2ccc(SC(F)F)cc2)oc1C 23241252 XLANVXNRBKARPI-UHFFFAOYSA-N 369.389 3.962 0 40 FHAB Cc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 983220 JXMODSPGDYADEY-ZDUSSCGKSA-N 373.250 3.749 0 40 FHAB CCc1cccc(NC(=O)CSc2nncn2-c2ccc(OC)cc2)c1 12608549 XIJQUWLXVGJBTK-UHFFFAOYSA-N 368.462 3.569 0 40 FHAB Nc1cccc(S[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1 113560829 IJYVKRNHQHOLBL-CQSZACIVSA-N 366.364 3.712 0 40 FHAB O=C(COC(=O)c1c(F)cccc1Cl)N[C@H]1CCCc2ccccc21 3399878 HXZPNTUFQKUBGE-INIZCTEOSA-N 361.800 3.830 0 40 FHAB S=C(NC[C@@H]1CCCO1)NNc1c(Cl)cc(Cl)cc1Cl 3341623 BMYWWESLNJDNCA-QMMMGPOBSA-N 354.690 3.617 0 40 FHAB COc1cccc(-c2ccnc3[nH]n(-c4nc5ccccc5s4)c(=O)c23)c1 10338971 NPIGUXSDKUBFIB-UHFFFAOYSA-N 374.425 3.999 0 40 FHAB COC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@H]1c1ccccc1C(F)(F)F 12771013 LHTXATZHLOQOBF-HNNXBMFYSA-N 370.371 3.875 0 40 FHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCCCCC1 20494999 BJKLCQBTCUHONT-GOSISDBHSA-N 352.906 3.880 0 40 FHAB COC(=O)C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118929063 AHQOETYKJDAWOY-ZVLKMEQASA-N 362.510 3.604 0 40 FHAB CCOc1ccc(CCC(=O)NCc2ccc(OC)cc2)cc1OCC 20492472 TZFHDNNSWQKNTB-UHFFFAOYSA-N 357.450 3.742 0 40 FHAB CCC(=O)N1CCc2cc(C(=O)N[C@@H](C)c3cc(C)ccc3OC)ccc21 44904915 BRTQZGJLNSDEQR-HNNXBMFYSA-N 366.461 3.794 0 40 FHAB C[C@@H](NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(F)cc1 22540787 HEXZHMDVKYBOJB-SECBINFHSA-N 355.196 3.948 0 40 FHAB O=C(/C=C/c1ccc(Cl)cc1)NC1CCN(Cc2ccccn2)CC1 58357920 OQHKWXJYBJVOKH-RMKNXTFCSA-N 355.869 3.529 0 40 FHAB CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc3c(c2)CCN3C)cc1 58355575 DEXVIQORBGEMRK-CYBMUJFWSA-N 369.490 3.757 0 40 FHAB C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 58413032 HDJPORDKTVQRQB-BBRMVZONSA-N 371.462 3.585 0 40 FHAB CC(C)(C)n1nc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1C1CC1 36398247 SXKBODMCWURCNM-UHFFFAOYSA-N 366.465 3.660 0 40 FHAB CCc1ccc(O[C@H](C)C(=O)Nc2ccnn2Cc2cccs2)cc1 28404264 KSGNKGZENJEGQD-CQSZACIVSA-N 355.463 3.961 0 40 FHAB CCN(CC)C(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 3415380 AVPTZIYFWDKKGU-UHFFFAOYSA-N 360.841 3.840 0 40 FHAB O=C(c1cccc(CN2CCC3(CC2)OCCO3)c1)c1ccc(F)cc1F 2515256 CRESKSRHMOSOCU-UHFFFAOYSA-N 373.399 3.535 0 40 FHAB CC(C)COc1ccc(NC(=O)C(=O)NCCCCc2ccccc2)cc1 408707750 DMFVZPCJRBUFTP-UHFFFAOYSA-N 368.477 3.799 0 40 FHAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccc(Br)cc1F 408707887 SHAJEFIDTZFKPJ-LLVKDONJSA-N 373.266 3.859 0 40 FHAB CCc1ccc(CC)c(C(=O)Cn2cnc3sc4c(c3c2=O)CCC4)c1 6111674 VMMANGAPDUDLCI-UHFFFAOYSA-N 366.486 3.954 0 40 FHAB Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2ncc(C(C)(C)C)o2)o1 65537512 CIJWLIGDAGMLKJ-INIZCTEOSA-N 352.438 3.963 0 40 FHAB O=C(CN1CCC(c2ccccc2)CC1)Nc1ccc2c(c1)OCCCO2 65588005 PBUBCUILRREHHO-UHFFFAOYSA-N 366.461 3.666 0 40 FHAB Cc1ccc(NC(=O)CN2CCc3cc4c(cc3[C@H]2C)OCCCO4)cc1 5354980 PYADRGAWVNDOCF-MRXNPFEDSA-N 366.461 3.714 0 40 FHAB CN(C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3)c1ccccc1 14134583 ULPSHSVCPZFEOB-UHFFFAOYSA-N 361.445 3.790 0 40 FHAB C[C@H]1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc2S1 14166766 YQWSXCWRXJBIEV-ZDUSSCGKSA-N 361.488 3.621 0 40 FHAB Cc1ccccc1-n1nc(C)c2cc(C(=O)NC[C@H]3CCCO3)sc21 5576995 YHCOCIDTTDPZHX-CQSZACIVSA-N 355.463 3.613 0 40 FHAB O=C(NN(c1ccccc1)c1ccccc1)c1cccc(N2CCNC2=O)c1 70900752 PKJPBCSJWUNTBF-UHFFFAOYSA-N 372.428 3.699 0 40 FHAB Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)N2CCc3ccccc32)cc1 4740016 ADMRXCQUAHDNFT-HMMYKYKNSA-N 372.424 3.948 0 40 FHAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)NC(=S)N1 5614394 JUTITRDFPDYAIA-QGZVFWFLSA-N 372.877 3.876 0 40 FHAB O=C1Nc2ccccc2C12N(Cc1ccccc1)CCN2Cc1ccccc1 19321829 ZKHGWYWWRLMOGJ-UHFFFAOYSA-N 369.468 3.810 0 40 FHAB Fc1ccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1Cl 4941998 SBIFZNWMQDBJOZ-UHFFFAOYSA-N 362.840 3.608 0 40 FHAB Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2c(C)nn(C)c2C)c1Cl 6975324 FWBKVFPWRPIATE-UHFFFAOYSA-N 362.282 3.761 0 40 FHAB Cc1cc(OCC(=O)N2CCCC[C@@H]2CCN2CCCC2)ccc1Cl 15831522 KTSDOZMGXGWSDY-QGZVFWFLSA-N 364.917 3.894 0 40 FHAB CCCCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 7989931 JEIUXRSNUJYROO-UHFFFAOYSA-N 352.500 3.688 0 40 FHAB C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccccc1N1CCc2ccccc21 68788843 AAQOLBQMXQFBFY-AEFFLSMTSA-N 366.461 3.903 0 40 FHAB CC[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccc(C)cc1 8026087 UIOWWVYGLSOXIC-FQEVSTJZSA-N 350.462 3.932 0 40 FHAB Clc1cccc(-c2noc(CSc3nnnn3C3CCCC3)n2)c1 8389123 OYHSFUAIZSMBGL-UHFFFAOYSA-N 362.846 3.784 0 40 FHAB O=c1cc(CSC2=N[C@H]3CCCC[C@@H]3N2)c2cc3c(cc2o1)CCC3 9482046 MOJJVLQAVULOLV-IRXDYDNUSA-N 354.475 3.785 0 40 FHAB O=c1c2ccccc2nc2n1CCCN2CCOc1cccc2ccccc12 9485323 ACPBCWHWSPCRBC-UHFFFAOYSA-N 371.440 3.839 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(NC(=O)c2ccco2)cc1 9479660 CYXMVQVGHVEHKP-UHFFFAOYSA-N 350.330 3.513 0 40 FHAB C[C@H](C(=O)N1CCCCCC1)N1CCC(c2nc3ccccc3o2)CC1 9500017 SWJVZJPSNLMEIL-MRXNPFEDSA-N 355.482 3.798 0 40 FHAB COc1ccc(C2(c3nnc(Cc4ccccc4F)o3)CCOCC2)cc1 71890007 IKNLVLZXGRWQKN-UHFFFAOYSA-N 368.408 3.905 0 40 FHAB CC(C)Oc1ccc(C(=O)NCC(=O)N2CCC[C@@H]2c2ccccc2)cc1 9895630 LKIFPDBIBSTFBS-HXUWFJFHSA-N 366.461 3.567 0 40 FHAB Cc1nc2c(n1CC1CC1)CN(Cc1cccs1)CC21CCN(C)CC1 306127143 FPJMVFRFOUCLJD-UHFFFAOYSA-N 370.566 3.642 0 40 FHAB CCC[C@@](C)(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C(=O)OC 95997163 WEGZQUTWQNKXDK-QGZVFWFLSA-N 369.387 3.713 0 40 FHAB O=C(c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2)N1CCCC1 89768406 PRLRVXZCMYMNFP-UHFFFAOYSA-N 350.249 3.904 0 40 FHAB C[C@@H](SCc1ccccc1)C(=O)NCc1ccccc1-n1ccnc1 30753056 BLATUSJWWGGSDG-MRXNPFEDSA-N 351.475 3.810 0 40 FHAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN(C(=O)C3CCC3)C2)n1 72378942 OJOHDGUVSBQGID-QGZVFWFLSA-N 352.482 3.897 0 40 FHAB CCc1nc([C@@H](C)NC(=O)N2CC[C@@]3(C2)OCc2ccccc23)cs1 185703338 NEXULXPQNHVVQZ-YJYMSZOUSA-N 357.479 3.608 0 40 FHAB Cn1cc(CN2CCC[C@@H]2c2cccc(Cc3ccc(F)cc3)n2)cn1 72358124 RPLOBJNDBGRDAS-OAQYLSRUSA-N 350.441 3.882 0 40 FHAB CCC(CC)[C@H]1C[C@H](NC(=O)Nc2cccnc2N2CCCC2)CCO1 180058441 GILMPSXIQMGIDK-SJLPKXTDSA-N 360.502 3.787 0 40 FHAB Cc1ccc(-c2ccc(=O)n(CCC(=O)NCCC3=CCCCC3)n2)cc1 41254458 UGSQBMWISWNABM-UHFFFAOYSA-N 365.477 3.616 0 40 FHAB COC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc2ccccc2c1 225041858 SAIFZLVXQAXONA-UHFFFAOYSA-N 369.442 3.517 0 40 FHAB O=C(c1ccco1)N1CCS/C1=C/c1nc(-c2ccccc2F)no1 225242709 MATWINRKJUNYLR-XNTDXEJSSA-N 357.366 3.656 0 40 FHAB COc1ccccc1C(=O)N1CCS/C1=C/c1nc2ccccc2n1C 225236607 QXEHLNNSKARWGI-CPNJWEJPSA-N 365.458 3.770 0 40 FHAB CSCC[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)n1cccc1 575444510 NTWAUWRXUXCIKA-FQEVSTJZSA-N 371.550 3.563 0 40 FHAB CC[C@@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccc(OC)c(OC)c1 225718711 RFVWOLVCZXFVJX-CQSZACIVSA-N 374.462 3.870 0 40 FHAB S=C(NCc1ccccc1)Nc1ncc(Cl)cc1Br 223921126 JFHQLEYJYVPGLJ-UHFFFAOYSA-N 356.676 3.984 0 40 FHAB CCO[C@](C)(C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1)C1CC1 225723495 MFRTUJJWHVWCIW-VGSWGCGISA-N 374.525 3.941 0 40 FHAB Fc1ccc(CN2CCC(F)(F)[C@@]3(CCN(c4cccnc4)C3)C2)cc1 96051133 IAVKNZPIBOESGJ-IBGZPJMESA-N 361.411 3.958 0 40 FHAB COCC[C@H]1CCOC12CCN(C(=O)c1csc3ccccc13)CC2 247897982 VFWHZGYTJOQRMF-HNNXBMFYSA-N 359.491 3.949 0 40 FHAB CC(C)(C)CC(=O)Nc1ccc(CC(=O)N2CCCCC[C@@H]2CCO)cc1 585082102 FZXHFPVMNVPRRX-LJQANCHMSA-N 374.525 3.757 0 40 FHAB Cc1ccc(C(=O)N2CCC[C@H]2c2nccnc2Nc2cccc(C)n2)cn1 257219008 DFGDXOSKMYVKKZ-KRWDZBQOSA-N 374.448 3.604 0 40 FHAB Cc1cccc(Nc2nccnc2C2CCN(CC3CCOCC3)CC2)n1 257332464 XXKPMJAMQMGWQX-UHFFFAOYSA-N 367.497 3.530 0 40 FHAB O=C(c1cc(F)c(Cl)c(F)c1)[C@@H](Br)CBr 382674889 MEEWOXNRIUFLDG-YFKPBYRVSA-N 362.395 3.959 0 40 FHAB O=C(Cc1cccc2ccccc12)Nc1ccccc1-c1ccc(=O)[nH]n1 90613922 RAVRCTQSZRAXOE-UHFFFAOYSA-N 355.397 3.771 0 40 FHAB Cc1cccnc1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 617775754 UTBITALJPQKZKV-UHFFFAOYSA-N 350.249 3.659 0 40 FHAB CCn1nccc1[C@@H]1OCCC[C@H]1CN[C@@H]1CCOc2c(C)cccc21 657446951 UJOJZWFGKURECP-YRISNDGFSA-N 355.482 3.793 0 40 FHAB O=S(=O)(Cc1cc(F)ccc1F)N1CCc2sc(Cl)cc2C1 575615948 JYLXQCFEFIVPOF-UHFFFAOYSA-N 363.838 3.568 0 40 FHAB C[C@H]1CN(c2ccncc2)CCN1C(=O)c1cc(Cl)cc(Cl)c1 1626234113 KVADRLBNTCUKHQ-LBPRGKRZSA-N 350.249 3.739 0 40 FHAB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1ccccc1Cl 5528416 KATHMVBVFUJGTO-UHFFFAOYSA-N 369.837 3.890 0 40 FHAB CC[C@@H](C)N1C(=O)S/C(=C/c2c(OC)cc(OC)cc2OC)C1=O 5875178 DJSFWZIDAWQULR-KXUVPBGPSA-N 351.424 3.547 0 40 FHAB CCCOC(=O)c1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1 15923187 XYEYRVYODZMIED-UHFFFAOYSA-N 357.381 3.994 0 40 FHAB CC(C)C(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 16574956 GVZXWYNYSYXUFO-UHFFFAOYSA-N 359.809 3.974 0 40 FHAB C[C@@H](Oc1cccc(F)c1)C(=O)N[C@@H](c1ccncc1)c1cccs1 19079758 HFCCQQAEYLARSR-ACJLOTCBSA-N 356.422 3.955 0 40 FHAB CC(C)Cc1cc(C(=O)Nc2ccc3c(c2)nc(C(C)C)n3C)n(C)n1 19447465 UVCYGENYRJLDBD-UHFFFAOYSA-N 353.470 3.881 0 40 FHAB Clc1cccc2ccc(CN3CCC(Oc4cnccn4)CC3)nc12 19658996 BWOQERQUUXICNL-UHFFFAOYSA-N 354.841 3.722 0 40 FHAB Cc1ccc(-c2cnc(NC(=O)c3ccc4c(c3)ncn4C)n2C)cc1C 19665940 YTRJINHMDULSMY-UHFFFAOYSA-N 359.433 3.843 0 40 FHAB CC(C)c1nccn1CCCNC(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 19715623 CWSPOMNGZJJREC-HNNXBMFYSA-N 372.513 3.966 0 40 FHAB CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2c(C)cccc2C)cc1 7255311 PTQQBEMRMHGPTK-JLHYYAGUSA-N 353.418 3.897 0 40 FHAB O=C1c2ccccc2C(=O)N1Cc1cc2cc(Br)ccc2o1 201192715 GIVHLQYCINZALL-UHFFFAOYSA-N 356.175 3.992 0 40 FHAB O=C(NCc1cccc2c1OCCCO2)c1ccc(N2CCCCC2)cc1 155290229 PNGHUVSAKZMIDU-UHFFFAOYSA-N 366.461 3.768 0 40 FHAB CCc1nnc([C@H]2C(=N)S/C(=C\c3ccc(C)c(OC)c3)C2=O)s1 6420149 PUPBISODLCBZKZ-HFENLWAASA-N 359.476 3.835 0 40 FHAB NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCN(Cc2ccccc2)C1 19371776 HMMNPDMIGGILQJ-XMMPIXPASA-N 371.484 3.669 0 40 FHAB CN(c1ncccc1C(F)(F)F)[C@H]1CCCN(C(=O)c2ccsc2)C1 1889139114 VXKDVZVQWBJPOK-ZDUSSCGKSA-N 369.412 3.903 0 40 FHAB Clc1ccc2oc(N3CC(Cn4cc(Br)cn4)C3)nc2c1 1889186661 XSJWYKSIHUSHDD-UHFFFAOYSA-N 367.634 3.577 0 40 FHAB CCNC(=O)c1cccc(NC(=O)CCC(=O)c2cc(C)ccc2C)c1 15022891 DKNPRPFGGWHHMX-UHFFFAOYSA-N 352.434 3.655 0 40 FHAB COc1cccc(CN(C)C(=O)c2cc(C3CC3)nc3onc(C)c23)c1 25492139 YTXAJXDSLZIJKZ-UHFFFAOYSA-N 351.406 3.689 0 40 FHAB COc1ccc(CSc2nnnn2-c2ccc(F)c(Cl)c2)cc1 1068273 AXDNGQXDXJTQLW-UHFFFAOYSA-N 350.806 3.756 0 40 FHAB CCCN1C(=O)CCc2cc(NC(=O)Cc3ccc(OC)cc3)ccc21 9107028 CPMMXHKRDCKNMI-UHFFFAOYSA-N 352.434 3.566 0 40 FHAB COc1ccc(/C=C\C(=O)NCc2ccc3c(c2)cc(C)n3C)cc1OC 13572382 KVOCEKQRMUEHDD-YFHOEESVSA-N 364.445 3.834 0 40 FHAB COc1ccc(OC)c(CN2CC(n3c(C4CC4)nc4ccccc43)C2)c1 1775973279 OSIPVTYKCFKWIT-UHFFFAOYSA-N 363.461 3.988 0 40 FHAB Cc1cc(N2C[C@@H]3CN(Cc4ccc(Cl)c(Cl)c4)C[C@@H]3C2)ncn1 2086887033 RZPORUGFXCWIBQ-GASCZTMLSA-N 363.292 3.660 0 40 FHAB O=C(Oc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1 822111 XJDSPJXHSLRDGC-UHFFFAOYSA-N 353.399 3.707 0 40 FHAB COc1ccc([C@H](NC(=O)c2cnc3c(cnn3C(C)C)c2)C2CC2)cc1 40024706 ICOUDCPLKGUONP-LJQANCHMSA-N 364.449 3.902 0 40 FHAB C[C@H](NS(=O)(=O)N1CCCC[C@H]1C)C(c1ccccc1)c1ccccc1 30358539 OJONXKXLABPKAV-MSOLQXFVSA-N 372.534 3.916 0 40 FHAB C[C@@H](SCc1ccccc1)C(=O)NC[C@H](c1cccc(F)c1)N(C)C 40143453 ANSLFBPJQQBUIA-DNVCBOLYSA-N 360.498 3.867 0 40 FHAB CCn1c(=O)n2nc(-c3ccncc3)nc2c2c(-c3ccccc3)csc21 31818679 MBBVWKPZXJMPJI-UHFFFAOYSA-N 373.441 3.855 0 40 FHAB O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc2c(c1)OCCCO2 46292892 UCPNBIOLRSTXKO-UHFFFAOYSA-N 363.373 3.683 0 40 FHAB CCOC(=O)C(C)(C)Sc1nnc(COc2ccc(C)cc2)n1CC 908386 VNJNTZRWDZCVGR-UHFFFAOYSA-N 363.483 3.619 0 40 FHAB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccc(C(N)=O)cc1 32816171 HIPYGLZSHXWNQG-INIZCTEOSA-N 374.440 3.536 0 40 FHAB Cc1ccc(C)c(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)[nH]2)c1 1368260 AUYRSMIITVINHC-UHFFFAOYSA-N 373.503 3.949 0 40 FHAB CN1CCC(Nc2ccccc2NC(=O)/C=C/c2cccc(F)c2)CC1 78489980 ZHENHPMOKLJABQ-MDZDMXLPSA-N 353.441 3.984 0 40 FHAB CCc1ccc([C@H](C)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 78710451 VYWGZSQKNOBEOT-JKSUJKDBSA-N 360.523 3.911 0 40 FHAB COc1coc(CNc2ccccc2NC(=O)c2ccccc2)cc1=O 79108074 QLINTRMMWCUZTO-UHFFFAOYSA-N 350.374 3.513 0 40 FHAB CCCn1c(CCCNC(=O)COc2ccccc2)nc2ccccc21 2721489 JVNOJHGOSRRURY-UHFFFAOYSA-N 351.450 3.574 0 40 FHAB CCOC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc2c1CCC2 6047361 HBNPHUGGAIORNU-UHFFFAOYSA-N 373.474 3.993 0 40 FHAB NC(=O)c1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)cc1 6128454 OGRUTTGKCDHWNG-UHFFFAOYSA-N 373.623 3.763 0 40 FHAB CSc1ccc(S(=O)(=O)NCCSCc2ccccc2)cc1 6259769 LOCPQNOVPFKUTR-UHFFFAOYSA-N 353.534 3.620 0 40 FHAB CC(C)Oc1ccc(C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)cc1 6358472 MRUFHBKBPSLKGS-UHFFFAOYSA-N 372.534 3.903 0 40 FHAB COc1ccc(C(=O)CN(C2=NCCCS2)c2ccc(OC)cc2)cc1 7275425 HMOCKZXZJHGWSN-UHFFFAOYSA-N 370.474 3.886 0 40 FHAB Cc1ccccc1N(CC(=O)Nc1ccc2ccccc2c1)S(C)(=O)=O 7476849 AMYYEOXGXWMAQA-UHFFFAOYSA-N 368.458 3.553 0 40 FHAB CS(=O)(=O)Cc1cccc(C(=O)Oc2ccc(Cl)c(Cl)c2)c1 7814573 CMGZWYJVYBLSGO-UHFFFAOYSA-N 359.230 3.757 0 40 FHAB CN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2c2ccc(F)cc2)c2ccccc21 101649265 FHBLHXGONHBGMU-JOCHJYFZSA-N 373.387 3.727 0 40 FHAB C[C@@H](CCc1ccc(O)cc1)NC(=O)N[C@H](C)CCc1ccc(O)cc1 23053491 UHSUBFDATNOSEW-IYBDPMFKSA-N 356.466 3.739 0 40 FHAB CCc1cc(I)cc(C)c1I 57326493 VJRDIPGLGHNXMG-UHFFFAOYSA-N 371.987 3.767 0 40 FHAB Cc1ccc(C(=O)[C@H](C)OC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1C 24280393 TUVMJTXVEXYMDG-INIZCTEOSA-N 373.493 3.703 0 40 FHAB COc1ccccc1CCC(=O)Nc1cccc(NC(=O)NC(C)C)c1 24511551 IGEUZQKAAGHVCU-UHFFFAOYSA-N 355.438 3.796 0 40 FHAB COc1cc([C@H]2NC(=O)c3ccccc3N2)cc(Cl)c1OC(F)F 12537353 LEHYIGVIDJDUKR-CQSZACIVSA-N 354.740 3.804 0 40 FHAB C[C@@H](C(=O)N[C@@H]1CCC[C@@H](C)C1)n1c(S)nnc1-c1cccs1 106531081 IJWYQZNVXIHWGR-GRYCIOLGSA-N 350.513 3.551 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)c1 25432980 OPGTVRBTQKAAMW-UHFFFAOYSA-N 368.437 3.670 0 40 FHAB Fc1ccc(-c2nnc(SC[C@@H]3CCCO3)n2C[C@H]2CCCO2)cc1 44171761 ZXXDLBLSOZSJOJ-CVEARBPZSA-N 363.458 3.534 0 40 FHAB CC[C@H](Oc1cccc(C)c1)C(=O)N1CCN(c2ccccc2F)CC1 20481905 HHTRXUVRYJDBHU-FQEVSTJZSA-N 356.441 3.640 0 40 FHAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccc(Cl)cc1Cl 27555381 NZUFNHLHBIUDOU-JTQLQIEISA-N 371.289 3.592 0 40 FHAB O=S(=O)(Nc1ccc(-n2cccn2)cc1)c1cc(Cl)ccc1Cl 24577439 QJHVXLYTDPDLNQ-UHFFFAOYSA-N 368.245 3.980 0 40 FHAB O=C(CCCC(=O)c1ccc(F)cc1)Nc1cccc(N2CCOCC2)c1 58225812 FKHFFERHXVEAFY-UHFFFAOYSA-N 370.424 3.654 0 40 FHAB COc1cc(CCC(=O)Nc2cc(C)on2)ccc1OCC(F)(F)F 58201260 CCOVEKAOEDPQBD-UHFFFAOYSA-N 358.316 3.504 0 40 FHAB O=C(c1ccc(SCc2ccn(-c3ccccc3)n2)nc1)N1CCCC1 58202909 SPOXQBHIJFWYBV-UHFFFAOYSA-N 364.474 3.796 0 40 FHAB COc1cccc(-c2nnc3sc(COc4ccccc4C)nn23)c1 10311687 NYTNDNFPMOZRHN-UHFFFAOYSA-N 352.419 3.749 0 40 FHAB CCc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCCC3)c(O)n2n1 22852936 XVXQGMHOLVDBRN-CQSZACIVSA-N 362.886 3.897 0 40 FHAB O=C(CSc1nc(/C=C/c2ccco2)n[nH]1)Nc1cc(F)cc(F)c1 10632386 HMOUDSDJLDFPLB-ONEGZZNKSA-N 362.361 3.577 0 40 FHAB CCN(C(=O)CN(C)[C@@H](C)c1ccc(-n2cncn2)cc1)C1=CCCCC1 36391984 NJYPRHAULWFPNE-KRWDZBQOSA-N 367.497 3.567 0 40 FHAB Cc1ccsc1CNC(=O)c1cccc(C)c1I 36392544 UFQNDNNMZWWZHB-UHFFFAOYSA-N 371.243 3.900 0 40 FHAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)[C@H]1CCCO1 12781187 IUXBQWLHKACACK-HXUWFJFHSA-N 361.445 3.677 0 40 FHAB CCOc1ccc(NC(=O)[C@H]2CCCN2c2ncnc3ccccc23)cc1 11246785 WKHKQWCMWNJVOV-LJQANCHMSA-N 362.433 3.636 0 40 FHAB Cc1cc(NC(=O)CCc2nc3ccccc3[nH]2)ccc1N1CCCC1=O 11486618 YJXRTRXTCVOBRW-UHFFFAOYSA-N 362.433 3.569 0 40 FHAB O=C(Cc1ccc2c(c1)OCCO2)Nc1nc(-c2cccc(F)c2)cs1 29354541 SETBPTZKNDWCQO-UHFFFAOYSA-N 370.405 3.902 0 40 FHAB Cc1ccc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1 3499456 HAYPYQOSSHKYAT-UHFFFAOYSA-N 356.491 3.871 0 40 FHAB C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 3485750 ZKTAUUWOUWGLFB-LBPRGKRZSA-N 364.902 3.629 0 40 FHAB COc1cc(SC)ccc1C(=O)Nc1ccccc1N1CCCC1=O 12932491 QKXMAOFUTHCYPN-UHFFFAOYSA-N 356.447 3.796 0 40 FHAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccncc3)[C@](O)(C(F)(F)F)[C@@H]2C1 409094507 DLINXHWMNLHEDN-PBFPGSCMSA-N 369.387 3.607 0 40 FHAB C[C@@]1(C(=O)Nc2nc3ccccc3nc2N2CCCC2)CC1(Cl)Cl 22284030 XTMHCOAEWMTMFU-INIZCTEOSA-N 365.264 3.752 0 40 FHAB C[C@@H]1Oc2ccc(NC(=O)c3ccc4c5c(cccc35)CC4)cc2NC1=O 14198733 QJGMDGBLCVRKAH-LBPRGKRZSA-N 358.397 3.910 0 40 FHAB O=C(CSc1nc2cc(Cl)cnc2[nH]1)Nc1ccc(Cl)cc1 5462136 RRYNCFVBOYTFKT-UHFFFAOYSA-N 353.234 3.996 0 40 FHAB CN(Cc1ccco1)C(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 6602876 ASQVVXUHXXWXFJ-UHFFFAOYSA-N 367.376 3.687 0 40 FHAB COc1ccc(CC(=O)N2CCc3nc(-c4ccccc4)sc3C2)cc1 6669531 WQEPFPMTOPDJPH-UHFFFAOYSA-N 364.470 3.946 0 40 FHAB Cc1cc(C)c2nc(SCC(=O)NC(=O)NC(C)(C)C)cc(C)c2c1 6788541 ZVXRHFYPLJFLHV-UHFFFAOYSA-N 359.495 3.876 0 40 FHAB Cc1c(C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)oc2ccccc12 66445548 HSNWNAIWYSGOHF-UHFFFAOYSA-N 365.357 3.990 0 40 FHAB Cc1cnc(NC(=O)Cn2ccc3cc(Br)ccc32)s1 6815353 URSAQFYOWVHRBI-UHFFFAOYSA-N 350.241 3.807 0 40 FHAB O=C(CSc1ncn[nH]1)Nc1cc(Cl)ccc1Oc1ccccc1 6890074 AGBABKIAOMSIQH-UHFFFAOYSA-N 360.826 3.981 0 40 FHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1cccc(OC(C)C)c1 113943045 FVBBHANLJGCUMK-HXUWFJFHSA-N 357.450 3.956 0 40 FHAB COC(=O)c1ccc(NC(=O)Cc2c(Cl)cc(C)nc2Cl)s1 15194909 XLILFTKFOPMVRI-UHFFFAOYSA-N 359.234 3.726 0 40 FHAB Cc1nc(S[C@@H](C)C(=O)Nc2cc(C)on2)c2c3c(sc2n1)CCC3 7125251 OYMKMDPXHIMZOZ-VIFPVBQESA-N 374.491 3.904 0 40 FHAB CCCCNC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 7129773 YXNLZFLUGIMUIO-LLVKDONJSA-N 365.524 3.931 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)Nc2ccc3c(c2)CCC3)n1C 7236429 MGNYEUPMCBLWBM-UHFFFAOYSA-N 368.462 3.603 0 40 FHAB CC(C)NC(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7791034 DUQXOPRVKIMQIP-GFCCVEGCSA-N 369.494 3.767 0 40 FHAB CN(Cc1nc(-c2cccs2)no1)[C@@H]1CCCN(c2ccccc2)C1 81013390 KXTOCAYSWJLKIK-MRXNPFEDSA-N 354.479 3.899 0 40 FHAB COc1ccc(Nc2nc(CSc3nnnn3C3CC3)cs2)cc1 8026544 MUGSJQBLFQSJML-UHFFFAOYSA-N 360.468 3.509 0 40 FHAB Cc1cccc(OCc2nn3c(COc4ccc(F)cc4)nnc3s2)c1 8393421 HGGCRRKEGSUINI-UHFFFAOYSA-N 370.409 3.791 0 40 FHAB O=C(NCc1ccncc1)c1ccccc1C(=O)c1ccc(Cl)cc1 8383015 USRLCHIWOGCMKV-UHFFFAOYSA-N 350.805 3.896 0 40 FHAB C[C@@H](Sc1ccc(Br)cc1)C(=O)NC(=O)NC1CCCC1 8337747 MCUVUXRZMSKJPZ-SNVBAGLBSA-N 371.300 3.698 0 40 FHAB CCc1nc2ccc(NC(=O)Cc3ccc4c(c3)OCCO4)cc2s1 22254968 JCWRHJDMEPPCDC-UHFFFAOYSA-N 354.431 3.811 0 40 FHAB CN(Cc1c(F)cccc1Cl)C(=O)[C@H](c1ccccc1)n1cccn1 83862016 NFFCLGMFNJRURS-SFHVURJKSA-N 357.816 3.924 0 40 FHAB CCOCCCNC(=O)Nc1ccc(N2CCc3sccc3C2)cc1 72055426 GZEFCZVHPNXESY-UHFFFAOYSA-N 359.495 3.859 0 40 FHAB Cc1[nH]c([C@@H]2CCCN2C(=O)Nc2nncs2)nc1-c1ccccc1 72305875 DCMOFPJAODYCKB-ZDUSSCGKSA-N 354.439 3.606 0 40 FHAB Cc1nc(S)sc1CC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1C 84064565 FXJJPQZCXYKKEM-NSHDSACASA-N 357.504 3.910 0 40 FHAB Cc1cc(C)nc(NNC(=O)/C=C/c2ccc(-c3ccccc3F)o2)n1 84114503 LPIHESUXWDNIBA-CSKARUKUSA-N 352.369 3.649 0 40 FHAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)N1CCC(n2cccc2)CC1 84687013 MYFYXOXZWFNEIS-YOEHRIQHSA-N 369.440 3.699 0 40 FHAB Cc1nc(N2CC[C@@H]3CCOC(=O)[C@@H]32)c2cc(-c3ccccc3)sc2n1 95976193 PDZKOBQAOUEIDL-RHSMWYFYSA-N 365.458 3.809 0 40 FHAB CCCC(=O)Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 27698786 FHHWOSVTCVLKCO-UHFFFAOYSA-N 367.449 3.514 0 40 FHAB CNC(=O)c1ccc(CN[C@H](c2ccccc2)c2ccc(OC)cc2)cc1 74229823 FZIJYFVELQFASA-JOCHJYFZSA-N 360.457 3.934 0 40 FHAB O=C(CN[C@@H](c1ccccc1)c1cccs1)Nc1ccc2c(c1)OCO2 89827670 YAMBZNRQVSDSMJ-FQEVSTJZSA-N 366.442 3.795 0 40 FHAB COc1ccc(-c2ccc(OC(=O)c3ccccc3C)nn2)cc1OC 408530923 KQJUMJOANOKLQN-UHFFFAOYSA-N 350.374 3.688 0 40 FHAB CCOc1ncccc1CNC(=O)c1occc1COc1ccccc1 23101942 WNIMCRCTYFJLAQ-UHFFFAOYSA-N 352.390 3.582 0 40 FHAB Cc1ccc(N2C[C@@H](C(=O)NCc3ccccc3Cl)CC2=O)cc1C 21450684 SNGWNBUTMWHQDE-INIZCTEOSA-N 356.853 3.626 0 40 FHAB CCOC(=O)c1ccc(NS(=O)(=O)Cc2cccc(C)c2)c(Cl)c1 38756173 JQKZMVYWOILDLQ-UHFFFAOYSA-N 367.854 3.767 0 40 FHAB Cc1nc(Nc2nccs2)cc([C@H]2CCCN2C(=O)c2ccccc2)n1 72360188 ZSMVZHSBCWTWNW-MRXNPFEDSA-N 365.462 3.962 0 40 FHAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCCN1CCCCC1 30758143 BHZADZIUMJHRNX-FQEVSTJZSA-N 354.494 3.989 0 40 FHAB CN1CCN(c2ccc([C@@H]3CCCCN3Cc3ccccc3)cn2)CC1 72216548 IFCDAYCFPSVIIY-NRFANRHFSA-N 350.510 3.561 0 40 FHAB CC(=O)Oc1cc2c(s1)CCN([C@H](C(=O)C1CC1)c1cccc(F)c1)C2 77292757 IMTFHRNDRHBYGI-IBGZPJMESA-N 373.449 3.891 0 40 FHAB in-vitro CCOc1ccc2c(c1)c(C(=O)NCC(C)(C)N1CCCCC1)c(C)n2C 35316962 YXLCFXYRKCXTAD-UHFFFAOYSA-N 371.525 3.880 0 40 FHAB O=C(NCC1CCN(C(=O)Oc2ccccc2)CC1)c1ccccc1Cl 43983241 ATZKRZWGZVERMO-UHFFFAOYSA-N 372.852 3.981 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C 224776361 APDPZWCSEBMPIO-IBGZPJMESA-N 366.505 3.789 0 40 FHAB CCOC(=O)N1CCN(C(=O)[C@@H](CC)Sc2ccc(Cl)cc2)CC1 44900287 HPTLTMYWFCSHFB-OAHLLOKOSA-N 370.902 3.511 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222712555 FQPXPGXNUOZIKT-KSSFIOAISA-N 371.433 3.501 0 40 FHAB COC(=O)c1cn(C(=O)CCCOc2ccc(OC)cc2)c2ccccc12 222605823 PTNXXADLSFQWST-UHFFFAOYSA-N 367.401 3.936 0 40 FHAB COc1ccc2cc(S(=O)(=O)N3c4ccccc4C[C@H]3C)ccc2c1 41091972 QDGGXEQYFQYGQM-CQSZACIVSA-N 353.443 3.988 0 40 FHAB O=C(Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)N1CCOCC1 41127148 LLIIXWORKQUEJJ-UHFFFAOYSA-N 356.809 3.550 0 40 FHAB COc1ccc([C@H](C)NC(=O)c2cc3cccc(Cl)c3oc2=O)cc1 226040988 NMARVTJCVGMHOX-NSHDSACASA-N 357.793 3.946 0 40 FHAB O=C1C[C@H](c2ccc(Br)cc2)c2c(ccc3nsnc23)N1 96232134 CVSJNOMVQDKCNM-SNVBAGLBSA-N 360.236 3.928 0 40 FHAB c1coc(CN2CCC3(CC2)C[C@@H](N[C@H]2CCOC2)c2ccccc2O3)c1 96079856 FNQIRBRMTNLLTF-FXAWDEMLSA-N 368.477 3.517 0 40 FHAB CN1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2Cl)CC1 248103645 FMGJRNFEMJWKFE-UHFFFAOYSA-N 364.276 3.998 0 40 FHAB Cc1csc2c(N3CC[C@@](CO)(Cc4ccc(F)cc4)C3)ncnc12 585083490 QLUPDGVBMMWKLH-LJQANCHMSA-N 357.454 3.570 0 40 FHAB CCOC(=O)c1cnn2ccc(NC(=O)c3c(F)cccc3Cl)cc12 85471532 DOGWDDCQFGEHBQ-UHFFFAOYSA-N 361.760 3.556 0 40 FHAB O=C(O)C(F)(F)C(F)(F)C(F)(F)C(=O)c1ccc(F)c(Cl)c1 95634004 HUWFWKNROMUTPA-UHFFFAOYSA-N 352.589 3.652 0 40 FHAB CCn1cc(CN2CCC[C@@]3(CCC(=O)N3CC3CCCCC3)CC2)cn1 585100678 SMLMDBYWRHUNIP-JOCHJYFZSA-N 372.557 3.830 0 40 FHAB Cc1cc(S(=O)(=O)N(C)c2ccc3ccccc3c2)sc1C(=O)O 55567163 KKNQYFXRDJUMJD-UHFFFAOYSA-N 361.444 3.733 0 40 FHAB Cc1cc(C(=O)Nc2cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)ccc2C)on1 55593642 ZQGFYIFXPVEPBA-BETUJISGSA-N 355.438 3.662 0 40 FHAB CC1(C)C[C@]2(CCCN2C(=O)c2cncs2)CN1c1cccc(F)c1 1615127566 RVQABZBQOCSRJS-LJQANCHMSA-N 359.470 3.946 0 40 FHAB Cc1cc(N2CCC[C@@]2(C)c2ccc(C(F)(F)F)cc2)n2ncnc2n1 1652134869 FVOGEQQGNRIMOX-KRWDZBQOSA-N 361.371 3.967 0 40 FHAB Cc1ccsc1/C=C1\NC(=S)N(c2ccc(OC(F)F)cc2)C1=O 3273283 SBRCUTBQSGKOOV-WQLSENKSSA-N 366.414 3.920 0 40 FHAB Cc1ccc(C(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2)s1 5150114 RHALAJPYGHRVPE-UHFFFAOYSA-N 365.838 3.855 0 40 FHAB Cc1c(Cl)cccc1NC(=O)C(=O)NCCc1ccc(Cl)cc1 5251334 OWVNWYPOBMNAQV-UHFFFAOYSA-N 351.233 3.599 0 40 FHAB COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NC(=O)Cn2nc(C)cc2C)cc1 12366620 MVLVSLMBYDHULT-MXNKGDRCSA-N 367.493 3.597 0 40 FHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)CN1CCN(c2ccccc2)CC1 12524031 NGGKDTCGSHXTLI-PNJWGLBASA-N 374.569 3.647 0 40 FHAB Cc1c(O)ccc2c(CN(C)CCOc3ccc(Cl)cc3)cc(=O)oc12 13056689 RUFHIKOPHDMIEP-UHFFFAOYSA-N 373.836 3.971 0 40 FHAB COc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1OC 13096121 FRKQPWQDSVMHBF-CYBMUJFWSA-N 362.857 3.816 0 40 FHAB CCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(OCC)cc1 13479893 RTIYQOMJGLAPAE-UHFFFAOYSA-N 364.445 3.979 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC(C)C)ccc2C)cc1 14155574 XDUQDURLNPZKJU-UHFFFAOYSA-N 374.506 3.880 0 40 FHAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(CC(=O)N2CCCCC2)C1=O 14903960 NXVCPIKLEPXARQ-KDOCSACZSA-N 370.474 3.682 0 40 FHAB Cc1ccc(C(=O)NC2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 15936049 FZSQSMHTCYGQCU-UHFFFAOYSA-N 355.413 3.560 0 40 FHAB COC(=O)c1ccc(COc2ccc(OC)cc2)c(Br)c1 16217233 PWCAERLFZGLIDP-UHFFFAOYSA-N 351.196 3.823 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)Oc2ccccc2F)c(OC)c1 19078722 MBSUOADGQWFCBC-RDTXWAMCSA-N 373.424 3.974 0 40 FHAB COc1ccc(C)cc1S(=O)(=O)N1CCCCC[C@@H]1c1cc(C)on1 19134445 LJYZMKCOVHZJMD-MRXNPFEDSA-N 364.467 3.606 0 40 FHAB Cc1oc2c(c1C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C)CCCC2 19581342 HXOZAQDNOMDEQZ-LJQANCHMSA-N 367.424 3.859 0 40 FHAB O=C(NCc1cc(F)ccc1F)N1CCC[C@@H]1c1cccc2c1OCCO2 104804358 JAAQJDHYDCDSLD-QGZVFWFLSA-N 374.387 3.783 0 40 FHAB CN1CCOc2ccccc2CCCCC2(CCN(C(=O)C3CC3)CC2)C1 643570872 UZUZMNRHZQCZCS-UHFFFAOYSA-N 370.537 3.742 0 40 FHAB CC(C)(C)C(=O)NCCCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 25465005 PKGHKJJZRSYEJS-UHFFFAOYSA-N 367.493 3.726 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCN([C@H]2CCSC2)CC1 1565523008 XHRVUIIRYWIGGD-HNNXBMFYSA-N 373.444 3.751 0 40 FHAB COc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3[nH]2)c1 15084677 ANVFDGPZJKNQHI-OAHLLOKOSA-N 373.416 3.540 0 40 FHAB CCS(=O)(=O)N1CCCc2cc(NC(=O)c3ccc(C)c(C)c3)ccc21 17316421 LQFCYGZSCQIFPE-UHFFFAOYSA-N 372.490 3.658 0 40 FHAB O=C(NCc1cccs1)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 22504294 ZRSAYJIUVVAXNZ-UHFFFAOYSA-N 355.463 3.759 0 40 FHAB COc1ccc(CN(C)C(=O)c2cnn3c(-c4ccccc4)ccnc23)cc1 40143742 GEWDXRGMTHNYFV-UHFFFAOYSA-N 372.428 3.677 0 40 FHAB CC(C)c1cc(C(=O)Nc2ccc(-n3cccn3)nc2)nn1C(C)(C)C 40141842 BGNSPRNKNIVLOW-UHFFFAOYSA-N 352.442 3.595 0 40 FHAB COC(=O)c1ccc(CNC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 40160419 SAFVUJMRXAQUFQ-UHFFFAOYSA-N 355.409 3.741 0 40 FHAB CCOc1ccc2cc(S(=O)(=O)n3cnc4ccccc43)ccc2c1 41092031 KLEMPTQQKDLMEY-UHFFFAOYSA-N 352.415 3.825 0 40 FHAB Cc1cc(NC(=O)CSCc2nc(-c3cccc(Cl)c3)no2)no1 32779112 MVDXOVIJRATTLV-UHFFFAOYSA-N 364.814 3.558 0 40 FHAB C[C@@]1(c2ccccn2)NC(=O)N(Cc2sc3ccccc3c2Cl)C1=O 60379384 HTFSJTDMALZHSH-SFHVURJKSA-N 371.849 3.917 0 40 FHAB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)NC3CCCCC3)n2)cc1 8484209 KBQZAOQFZRUOLE-CYBMUJFWSA-N 358.511 3.964 0 40 FHAB C[C@@H](Nc1cc(C(N)=O)c2ccccc2n1)c1cccc(-n2ccnc2)c1 78569464 LIOVQLSZRHRIHZ-CQSZACIVSA-N 357.417 3.693 0 40 FHAB COc1ccc(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)cc1 2725251 KXTRSJNEFPPXTK-UHFFFAOYSA-N 354.284 3.504 0 40 FHAB O=C(COC(=O)c1c(Cl)ccc(Cl)c1Cl)NCc1ccco1 3320470 QCLHLJMPQSTNSV-UHFFFAOYSA-N 362.596 3.713 0 40 FHAB O=C1[C@@H]2[C@H]3c4ccccc4[C@H]([C@H]4C=CC=C[C@@H]34)[C@H]2C(=O)N1Cc1ccco1 4724986 AUALTXBXGOSYHI-HJCGADSOSA-N 357.409 3.634 0 40 FHAB CN(C)[C@H](CNc1nc(-c2cccnc2)nc2ccccc12)c1ccco1 6086254 FANLNKSLVQMULC-GOSISDBHSA-N 359.433 4.000 0 40 FHAB COc1ccc(NC(=S)NC(=O)c2ccccc2)cc1Br 6275159 ONMKEVZBGVTRHK-UHFFFAOYSA-N 365.252 3.585 0 40 FHAB CNCCCNCc1cc(Cl)c(OCc2cccs2)c(OC)c1 7539994 OZAOHRSDHGNXPZ-UHFFFAOYSA-N 354.903 3.688 0 40 FHAB Cc1ccc(-c2csc(SCC(=O)N3C[C@H](C)O[C@@H](C)C3)n2)cc1 8391467 ABEDXZBKQRXYMS-KBPBESRZSA-N 362.520 3.846 0 40 FHAB CCCNC(=O)c1nc(-c2ccc(F)cc2)n(-c2cccc(C)c2C)n1 8476643 QLOXECQBELRSBQ-UHFFFAOYSA-N 352.413 3.830 0 40 FHAB CCN(CC)C(=O)CN(C)C(=O)/C=C/c1sc2ccccc2c1Cl 23800363 WCROBVIYOLTLBE-ZHACJKMWSA-N 364.898 3.895 0 40 FHAB COc1ccccc1-c1c(C)nn2c(NC[C@@H]3CCCO3)cc(C)nc12 3063714 WMPKBYQEQWXCIW-HNNXBMFYSA-N 352.438 3.613 0 40 FHAB COc1ccc(Cc2nc(C(=O)NCc3ccccc3OC)cs2)cc1 1384067 QMVKRKQZFLJMBG-UHFFFAOYSA-N 368.458 3.681 0 40 FHAB COc1ccc(CN(C)Cc2cnn(-c3ccccc3)c2)c(OC)c1OC 24952160 ICDCTGULQQKZMC-UHFFFAOYSA-N 367.449 3.530 0 40 FHAB CN1CCN(c2ccccc2NC(=O)c2cccc(C(F)(F)F)c2)CC1 1401288 OUXUXCDAFCGFNP-UHFFFAOYSA-N 363.383 3.710 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N(C)Cc2ccc(F)cc2)c1C 57312696 QIERIZWZEBIDPX-CQSZACIVSA-N 360.429 3.651 0 40 FHAB COc1ccccc1[C@H](C)NCc1nc2ccc(Cl)cc2n1CCO 57838565 SOVRIRFPZUDHGT-ZDUSSCGKSA-N 359.857 3.541 0 40 FHAB CC[C@H](C(=O)Nc1nn2c(-c3ccco3)nnc2s1)c1ccccc1 20902153 JXZAXTWCEXQFCJ-LBPRGKRZSA-N 353.407 3.578 0 40 FHAB Cc1cc(C(=O)O[C@@H](C)C(=O)c2ccccc2)c2cnn(C(C)C)c2n1 10206005 VQPJNYXLCWWQDT-AWEZNQCLSA-N 351.406 3.749 0 40 FHAB CC[C@@H](NC(=O)CCN1CCSC1=O)c1ccc(Br)cc1 58268538 GZZPQMVNFDVNJK-CYBMUJFWSA-N 371.300 3.575 0 40 FHAB CCOc1ccc(N2C(=O)C[C@H](n3cnc4cc(C)c(C)cc43)C2=O)cc1 102407441 XLPONQPUIZURKH-IBGZPJMESA-N 363.417 3.556 0 40 FHAB CN(C)[C@H](CNC(=O)CCc1c[nH]c2ccccc12)c1ccc(F)cc1 58392060 XKCHHXMFCOSZDL-HXUWFJFHSA-N 353.441 3.659 0 40 FHAB C[C@H]1CCC[C@@](CNC(=O)Nc2ccccc2-n2cccn2)(N(C)C)C1 58368944 BOJRSZWIBSVOIL-OXJNMPFZSA-N 355.486 3.504 0 40 FHAB CC1CCC(NC(=O)[C@@H](C)n2c(S)nnc2-c2cccs2)CC1 58417650 UFVLWIJXRNVURW-MOENNCHZSA-N 350.513 3.551 0 40 FHAB Cc1cccc(C)c1OC[C@@H](O)CNc1ncnc2sc(C)c(C)c12 58407574 JBJSGDLKHZYXDN-HNNXBMFYSA-N 357.479 3.777 0 40 FHAB O=C(NCCOc1cccc(Br)c1)c1cccc2cccnc12 58413077 QEHXMVRMUGMQDI-UHFFFAOYSA-N 371.234 3.806 0 40 FHAB Clc1ccccc1-c1nnc2c3cnn(Cc4ccccc4)c3ncn12 2366275 JBARIIMCRBBABA-UHFFFAOYSA-N 360.808 3.843 0 40 FHAB O=C(c1sc2ccccc2c1Cl)N1CCN(Cc2ccncc2)CC1 28693306 KEVBETQVRSCXBJ-UHFFFAOYSA-N 371.893 3.908 0 40 FHAB CCn1c(S[C@H](C(=O)Nc2ccc(OC)cc2)C(C)C)nnc1C1CC1 11116611 IREIACYMOAGLJP-INIZCTEOSA-N 374.510 3.939 0 40 FHAB c1nc2c3c4c(sc3nc(SCCN3CCCCC3)n2n1)CCCC4 2450556 IPXUQWUFIARMQU-UHFFFAOYSA-N 373.551 3.796 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)CCN(C)Cc2ccc([C@@H]3C[C@H]3C)o2)c1 12743130 YTCPXGLSOWDHBT-SJLPKXTDSA-N 361.507 3.926 0 40 FHAB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12751385 FQHBPYBAAKXWNK-JKSUJKDBSA-N 369.440 3.503 0 40 FHAB COc1ccccc1-c1nnc(S[C@@H]2CCc3ccccc3NC2=O)o1 20721457 VQGCIDBJVNEFMG-MRXNPFEDSA-N 367.430 3.791 0 40 FHAB CCc1cccc(C)c1NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 12972141 SMGMTLWARPWALP-UHFFFAOYSA-N 372.490 3.522 0 40 FHAB Cc1cc(NC(=O)CN(C)Cc2ccccc2C)n(-c2ccccc2C)n1 12974836 NRVVFKWDSWWJFD-UHFFFAOYSA-N 362.477 3.868 0 40 FHAB C[C@H](CSc1nnc(-c2ccncc2)n1-c1ccccc1)CN(C)C 18196135 QZEAZYITNYMPKI-HNNXBMFYSA-N 353.495 3.619 0 40 FHAB CC(C)n1ncc2cc(NC(=O)[C@H]3Cc4cc(Cl)ccc4O3)cnc21 17574427 BNJGPDUKOIEWBX-MRXNPFEDSA-N 356.813 3.608 0 40 FHAB O=C1c2ccccc2C(=O)N1CCCSc1nccn1-c1ccccc1 4003116 BTHQJMYPBSSSGJ-UHFFFAOYSA-N 363.442 3.651 0 40 FHAB O=c1/c(=C\c2cccc3ccccc23)sc2nc(-c3ccccc3)nn12 6496255 QRZGFWBRCMZGFU-QGOAFFKASA-N 355.422 3.519 0 40 FHAB O=C(NC1CCN(C2CC2)CC1)c1ccc(Oc2ccc(F)cc2)cc1 14166799 QUJAKULRPQONAJ-UHFFFAOYSA-N 354.425 3.975 0 40 FHAB Cc1ccc(-c2nc(CCNC(=O)c3cnn(C(C)C)c3C)co2)cc1 92385680 OVHWVNVSLCBVFD-UHFFFAOYSA-N 352.438 3.708 0 40 FHAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccccc4)c3)C(=O)[C@H]2C1 408685810 RPTKFAMUIUKIJI-OALUTQOASA-N 360.413 3.785 0 40 FHAB COc1ccc2nc(NC(=O)[C@@H](OC(C)=O)c3ccccc3)sc2c1 5833882 SXNJYRWWDUDXPV-INIZCTEOSA-N 356.403 3.548 0 40 FHAB Brc1cccc([C@H]2C[C@@H](c3cccnc3)Nc3ncnn32)c1 6920140 WCUNNUMUSDOESG-LSDHHAIUSA-N 356.227 3.582 0 40 FHAB Nn1c(SCCOc2ccc(Cl)cc2)nnc1-c1cccs1 6949003 YNBRJEXZWAQROJ-UHFFFAOYSA-N 352.872 3.545 0 40 FHAB COc1ccccc1OCCC(=O)Nc1ccc(Br)cc1 5938568 MKUUHOAQDIYZLQ-UHFFFAOYSA-N 350.212 3.865 0 40 FHAB Cc1cc(C)cc(-n2nnnc2SCc2nnc(-c3ccccc3)o2)c1 15517858 APTTXPVYRIYXMZ-UHFFFAOYSA-N 364.434 3.621 0 40 FHAB COc1ccc(Br)cc1S(=O)(=O)NCCC1=CCCCC1 7376297 CFKASERPXMVSPC-UHFFFAOYSA-N 374.300 3.627 0 40 FHAB O=C(COC(=O)C1(c2ccccc2)CCCC1)Nc1cccnc1Cl 7511862 CPHBBNOIGXJAPO-UHFFFAOYSA-N 358.825 3.729 0 40 FHAB O=C1c2ccccc2N[C@H](c2cccc(O)c2)N1c1ccc2c(c1)OCO2 7885060 QDXLXEVHXRZHCM-FQEVSTJZSA-N 360.369 3.892 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)COc1cccc(F)c1 8009576 CSWCQJDWBFUXAJ-UHFFFAOYSA-N 367.424 3.666 0 40 FHAB C[C@@H](NCc1nc2ccccc2c(=O)[nH]1)c1ccc(Br)cc1 16685056 OFVSLBJYEFICBJ-LLVKDONJSA-N 358.239 3.536 0 40 FHAB COCC(=O)n1nc(-c2cccs2)nc1NCc1ccccc1Cl 9667651 IDLFAQDTIQIGAJ-UHFFFAOYSA-N 362.842 3.559 0 40 FHAB Cc1ccc(CCNC(=O)N2CCN(C)C[C@H]2c2ccccc2)c(C)c1 72039955 FEIBEZSFLFYGOY-NRFANRHFSA-N 351.494 3.544 0 40 FHAB Cc1cc(C)n(CC(=O)N2CCc3sccc3[C@H]2c2cccs2)n1 72319273 TWRKSAGLMOBZGK-SFHVURJKSA-N 357.504 3.797 0 40 FHAB Cc1ccc(NCCNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nn1 38670558 ZOVTWIVVBDOZDG-UHFFFAOYSA-N 373.766 3.691 0 40 FHAB O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2CN(Cc3ccco3)C[C@H]21 306143149 XUOQUMGRIBXSRD-QFBILLFUSA-N 371.483 3.763 0 40 FHAB CC[C@](NC(=O)CCC(=O)c1ccccc1)(C(=O)O)c1ccc(Cl)cc1 507281264 PMMJUFFOEKZJRS-HXUWFJFHSA-N 373.836 3.809 0 40 FHAB COC[C@H]1CCN(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)C1 510242301 IGLPVFNOCOHKRU-AWEZNQCLSA-N 359.445 3.575 0 40 FHAB CCOc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc(Cl)c1O 409083223 SDMOSMBUGXJFRC-ZROIWOOFSA-N 364.829 3.670 0 40 FHAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCN1CCCCC1 30752780 NQGUWQQWSKTMPG-NRFANRHFSA-N 354.494 3.989 0 40 FHAB COc1cccc(CN(Cc2ccco2)C[C@@H](O)COc2ccccc2)c1 32622454 RYFOCPACPXUFLM-LJQANCHMSA-N 367.445 3.730 0 40 FHAB CCN(Cc1nonc1C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 32611108 VKKVDDSVEZLZJF-SNVBAGLBSA-N 358.225 3.501 0 40 FHAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1F)c1ccccc1 36048025 DPGYJOPGTZXDPY-FQEVSTJZSA-N 362.404 3.806 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 219511516 XCAJZQLEOIMZCK-IRXDYDNUSA-N 357.450 3.663 0 40 FHAB COc1cccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)c1 32578661 AQJPARBUYWMQOF-UHFFFAOYSA-N 367.405 3.886 0 40 FHAB O=C(Nc1ccc(-n2cncn2)nc1)C1(c2cccc(Cl)c2)CCCC1 31752932 XJWQFFXZKMCRCV-UHFFFAOYSA-N 367.840 3.766 0 40 FHAB Cc1cc(C(=O)Nc2ccc(Br)c(C)c2)c2cnn(C)c2n1 36616283 UYPSICUGWKXLQX-UHFFFAOYSA-N 359.227 3.600 0 40 FHAB Oc1cc(C2CCN(Cc3ccccc3F)CC2)nc(-c2ccncc2)n1 72392693 QAYQFIDIFDZLBR-UHFFFAOYSA-N 364.424 3.763 0 40 FHAB O=C(Nc1ccc(Cl)cc1Cl)C1CN(C(=O)c2cccs2)C1 70809893 UCOMEKBCVLQEEE-UHFFFAOYSA-N 355.246 3.766 0 40 FHAB CCn1c(-c2ccccc2)nnc1S(=O)(=O)[C@@H](C)c1ccccc1F 79950858 JNNHNPGHXMIBDB-ZDUSSCGKSA-N 359.426 3.639 0 40 FHAB COC(=O)c1ccc(C)c(OCC(=O)Nc2ccc(F)cc2Cl)c1 48366778 XHIVVYCOJITIFU-UHFFFAOYSA-N 351.761 3.592 0 40 FHAB COC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc3ccccc3c2)c1 225057756 UUEVCGDMNBEOBI-UHFFFAOYSA-N 369.442 3.760 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)cc1C 224121610 BVRJSBVCARSBMR-LJQANCHMSA-N 367.489 3.935 0 40 FHAB CCOc1ccc(C(=O)N[C@H](C)COC)cc1COCc1ccccc1 224753641 VDOQJJCAOZLOPB-MRXNPFEDSA-N 357.450 3.567 0 40 FHAB Cc1occc(=O)c1OCC(=O)Nc1ccc(OCc2ccccc2)cc1 40287566 LIPQJXCRJUAPRZ-UHFFFAOYSA-N 365.385 3.545 0 40 FHAB Cc1ccccc1-c1noc(CNC(=S)Nc2ccc(F)c(F)c2)n1 225828965 VIXASDWUACRJKR-UHFFFAOYSA-N 360.389 3.810 0 40 FHAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 222444131 HOIZHOUXSOJGOO-QGZVFWFLSA-N 370.518 3.559 0 40 FHAB CC(C)c1nccn1-c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 42696968 WIPBFCXUAFUVES-SJORKVTESA-N 353.422 3.601 0 40 FHAB O=C(CC1CCC2(CC1)CCN(Cc1ccccn1)CC2)N1CC=CC1 96159371 DKKIAFARNRPPHT-UHFFFAOYSA-N 353.510 3.643 0 40 FHAB Cc1nc(CN2CCC3(CC2)C[C@H](N(C)Cc2ccccc2)CO3)cs1 96220976 RVBKKEJLMGBPLE-FQEVSTJZSA-N 371.550 3.707 0 40 FHAB O=C(N[C@@H]1CCCc2ccc(F)cc21)[C@@H]1CCCCN1C(=O)c1ccco1 93062979 JQKIDYQGTNWSRQ-MSOLQXFVSA-N 370.424 3.607 0 40 FHAB Cc1ccc(CN2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)s1 248106114 PFSNEYAEYKKSAY-QILLFSRXSA-N 364.536 3.709 0 40 FHAB CC(=O)N1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)C1CCCC1 257327725 XCLHAXCUEWHMSF-ACRUOGEOSA-N 354.494 3.572 0 40 FHAB O[C@H](COc1ccc2cc[nH]c2c1)CN1CCC[C@H](Cc2ccccc2)C1 1657201915 URUUEWNBVJISST-CTNGQTDRSA-N 364.489 3.862 0 40 FHAB Cc1cc(C)n(-c2ccc(CC(=O)N3CC[C@H](CN)c4ccccc43)cc2)n1 639072139 WBABQCIDXKLQME-LJQANCHMSA-N 374.488 3.511 0 40 FHAB COc1ccc(NC(=O)Nc2cnn(-c3ccncc3)c2)cc1SC 1674831671 QOHIKQJMKWTLRT-UHFFFAOYSA-N 355.423 3.642 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)NCC(O)(c1cccs1)c1cccs1 90617043 JSZDBDJYXJXFIY-CQSZACIVSA-N 373.499 3.629 0 40 FHAB COc1ccnc(N2CC[C@H]3[C@@H](CCCN3C(=O)CCCC(C)(C)C)C2)n1 1775998148 TZBKTIBPMYBILE-IRXDYDNUSA-N 374.529 3.519 0 40 FHAB Cc1cc(N2CCSCC2)ccc1NC(=O)c1cnc2ccccc2n1 50494750 ZUQSZMCEUJJVSG-UHFFFAOYSA-N 364.474 3.744 0 40 FHAB C[C@H]1C[C@H](NC(=O)N2CCC(Cc3cccc(F)c3F)CC2)c2nccn21 516850306 HZBHPIWQVUXUNT-GUYCJALGSA-N 374.435 3.831 0 40 FHAB C[C@H]1C[C@H](C)CN(C(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)C1 688222 PTDGAQBCSQJBSV-COQDENBGSA-N 352.434 3.555 0 40 FHAB COc1cccc(NC(=O)CSc2nnc(C)n2-c2cccc(C)c2)c1 5359740 RTWIVFKYNJQQLY-UHFFFAOYSA-N 368.462 3.624 0 40 FHAB COc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 5001882 MCZIVZUQFKURPU-LLVKDONJSA-N 356.813 3.625 0 40 FHAB CCCn1nc(C)c(CN2CCC[C@@](O)(c3ccc(F)cc3)CC2)c1C 12242225 WBJKJTCBYJGMJZ-NRFANRHFSA-N 359.489 3.923 0 40 FHAB COc1ccc(-c2noc(CN3c4ccccc4C[C@H]3C)n2)cc1OC 12527337 ZERSXCNKUPKGSM-CYBMUJFWSA-N 351.406 3.705 0 40 FHAB CC(C)CC(=O)N1CC[C@@](Cc2ccc(-c3ccsc3)cc2)(C(N)=O)C1 19446192 OCJQWXQTICZARB-NRFANRHFSA-N 370.518 3.708 0 40 FHAB CCCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccccc1OC)C3 19816464 SOFSGARJZJAZAM-LBPRGKRZSA-N 368.462 3.548 0 40 FHAB Cc1cc(C(F)(F)F)c2c(C3CCN(C(=O)C4CC4)CC3)noc2n1 19568984 PQZUBRRMQJRQCC-UHFFFAOYSA-N 353.344 3.666 0 40 FHAB CC(C)[C@@H](NC(=O)c1cn(Cc2ccccc2)c2ccccc12)C(=O)O 236718604 GOPZADWVSFXEAM-LJQANCHMSA-N 350.418 3.529 0 40 FHAB CC(C)(Oc1ccc(F)cc1)C(=O)N1[C@@H]2CN[C@@H]3CCCC[C@H]1[C@]3(C)C2 1848353269 GENVOYDYVLWUQC-CQSHLORDSA-N 360.473 3.505 0 40 FHAB O=C(CSc1nnc2ccc3ccccc3n12)c1ccc2c(c1)OCO2 1104228 FCWGELMUOFCRIL-UHFFFAOYSA-N 363.398 3.586 0 40 FHAB CCCCOc1ccc(C(=O)NCCc2cn3ccc(C)cc3n2)cc1 2960918 VNJZUARLHFTGIS-UHFFFAOYSA-N 351.450 3.794 0 40 FHAB COc1ccc(N2C[C@H](NC(=O)Nc3c(C)cc(C)cc3C)CC2=O)cc1 4479620 KDOIIDGNKVKNRA-MRXNPFEDSA-N 367.449 3.547 0 40 FHAB CSc1ccc2nc(NC(=O)[C@H]3COc4ccccc4O3)sc2c1 5299160 DSZOGBBQEUFMSV-CQSZACIVSA-N 358.444 3.797 0 40 FHAB COc1cccc(Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)c1 10213546 BPVGZUHIPCHVJS-UHFFFAOYSA-N 362.437 3.968 0 40 FHAB O=C(Cn1c(-c2nnco2)cc2ccccc21)NCc1ccccc1Cl 13961971 DJZRVGFLBVUFRT-UHFFFAOYSA-N 366.808 3.661 0 40 FHAB Cc1cc(C)cc(OCCn2c(CN3CCOCC3)nc3ccccc32)c1 21523500 UIZGZFWMEDZZDJ-UHFFFAOYSA-N 365.477 3.564 0 40 FHAB CCCN1CCCc2cc(CCNC(=O)COc3ccccc3)ccc21 35588065 ZTHYUWLJBVQUMS-UHFFFAOYSA-N 352.478 3.587 0 40 FHAB Cc1cccc(C(=O)NCCCCN2CCO[C@@H](c3ccccc3)C2)c1 36700107 IZUVUQSGOACEDU-OAQYLSRUSA-N 352.478 3.579 0 40 FHAB Nc1ccc(S[C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1 22866615 SUJFNCACEIXCFT-CQSZACIVSA-N 366.364 3.712 0 40 FHAB O=C(NCc1ccccc1)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O 20531136 JRMADUOLSBXSTJ-QFIPXVFZSA-N 370.452 3.570 0 40 FHAB O=C(C[C@H]1Nc2ccccc2NC1=O)Nc1ccc(Cl)c(Cl)c1 849880 OMFHHACXPPVRDI-CQSZACIVSA-N 350.205 3.755 0 40 FHAB COc1ccccc1[C@@H](O)CNC(=O)Nc1ccc(Cl)cc1Cl 40096557 SJBYEYLYJUXNRX-AWEZNQCLSA-N 355.221 3.857 0 40 FHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1Cl 30328636 UXAPADSMEOENLR-SMDDNHRTSA-N 369.870 3.886 0 40 FHAB COc1ccc(-n2c(C)c(C)c3c(=N)n(Cc4ccccc4)cnc32)cc1 101418060 ZWTAVVFQYOGTJE-UHFFFAOYSA-N 358.445 3.980 0 40 FHAB O=S(=O)(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cccc(Cl)c1 32776761 HTNHQMUMNJTHRG-INIZCTEOSA-N 367.854 3.699 0 40 FHAB COC(=O)/C=C/c1ccc(OC(=O)C2(c3ccccc3)CC2)c(OC)c1 29621908 DMEUMKDGQKYFFP-PKNBQFBNSA-N 352.386 3.519 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 11917871 OVJUFSSSHJWTHZ-UHFFFAOYSA-N 355.390 3.998 0 40 FHAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccccc1Br 1084956 USFASTYDEPWQLE-UHFFFAOYSA-N 359.223 3.828 0 40 FHAB CC(=O)O[C@@H]1C[C@H]2C(=CC1=O)CC[C@@H]1[C@H]2CC[C@]2(C)[C@H](OC(C)=O)CC[C@H]12 1303683 LTUDQVYYMMOMDZ-QTHQPCJMSA-N 374.477 3.602 0 40 FHAB CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1C(C)C 1356064 SEGJLQCERHJTDR-UHFFFAOYSA-N 361.496 3.762 0 40 FHAB O=C(Nc1ccccc1)c1cccc(CN2CC[C@@H](Oc3cccnc3)C2)c1 79111194 HGSUQITXIZQFSH-JOCHJYFZSA-N 373.456 3.987 0 40 FHAB CCc1ccc(C(=O)CCC(=O)Nc2ccc(NC(=O)NC)cc2)cc1 32903274 RETIISOPKWTKBW-UHFFFAOYSA-N 353.422 3.602 0 40 FHAB CCCNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 3286417 YTXBDCFANQEGOW-UHFFFAOYSA-N 366.490 3.861 0 40 FHAB Cn1c(SC[C@@H]2CCCCO2)nc2sc3c(c2c1=O)CCCC3 3457226 XZORHDOLHSPRQJ-NSHDSACASA-N 350.509 3.535 0 40 FHAB COc1ccc(CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1OC 7218457 RKBHQBKLWYUUPK-UHFFFAOYSA-N 371.458 3.678 0 40 FHAB CCC(CC)c1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)s1 692062 VBKJTQAGCKWWMQ-AWEZNQCLSA-N 372.494 3.742 0 40 FHAB COc1cc2c(cc1OC)[C@@H](COc1cccc(C(F)(F)F)c1)NCC2 22405259 WMJQESNBADGPSL-MRXNPFEDSA-N 367.367 3.988 0 40 FHAB COc1cc(OC)c(NC(=O)COc2ccc3c(c2)CCC3)cc1Cl 10609097 OCYHTXKOADQAGK-UHFFFAOYSA-N 361.825 3.863 0 40 FHAB COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccccc2OC)ccc1Cl 8041091 HMZABLOCMMQKPI-NSHDSACASA-N 363.797 3.541 0 40 FHAB Cc1cccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2)c1 8413956 AMUOYUUCUFKTJR-UHFFFAOYSA-N 374.824 3.549 0 40 FHAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)N4CCCCCC4)c3)C(=O)[C@H]2C1 8473154 HJKHFMQGCCXYMR-MOPGFXCFSA-N 366.461 3.549 0 40 FHAB Cc1occc1C(=O)NC1(c2ccc(Br)cc2)CCOCC1 54250590 XZWCCPPJPSTKFP-UHFFFAOYSA-N 364.239 3.786 0 40 FHAB CCc1cccc(C)c1Nc1nn(CN2CCOCC2)c(=S)s1 23641672 ATBUSEFUJRBSHZ-UHFFFAOYSA-N 350.513 3.578 0 40 FHAB CCOC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 20480999 KSJYPIPXXRQIOF-UHFFFAOYSA-N 374.245 3.971 0 40 FHAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(Cl)c2Cl)c1 24153044 FMZQZWLFKTXXFP-UHFFFAOYSA-N 374.245 3.745 0 40 FHAB COc1ccccc1CNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 9063391 YKCNWTVOTGUNQN-UHFFFAOYSA-N 372.896 3.877 0 40 FHAB Cc1noc(C)c1CCc1cc(O)n2ncc(-c3ccc(F)cc3)c2n1 100776226 ONSMZDJSWRPEHS-UHFFFAOYSA-N 352.369 3.631 0 40 FHAB Cc1cc(C(=O)N2CCC(COc3ccccc3)CC2)c2c(C)noc2n1 55424606 UMRKCITZWGNKAB-UHFFFAOYSA-N 365.433 3.771 0 40 FHAB COc1ccccc1/C=C1\N=C(c2cccc(Br)c2)OC1=O 1511144 NVNORTNMXFRPEN-UVTDQMKNSA-N 358.191 3.802 0 40 FHAB CCc1ccc([C@H](NC(=O)NC2CCC3(CC2)OCCO3)C(C)C)cc1 43864668 HNSQRAOSDGLIIO-LJQANCHMSA-N 360.498 3.931 0 40 FHAB CN(Cc1ccc(Cl)cc1)C(=O)NCc1ccnc(N2CCCC2)c1 26302745 ZFBWJLPUFIZTDV-UHFFFAOYSA-N 358.873 3.677 0 40 FHAB O=C(c1cc(=O)c2ccccc2o1)N(Cc1cccs1)C[C@@H]1CCCO1 28251430 FAQCDVXAVUOXOM-AWEZNQCLSA-N 369.442 3.676 0 40 FHAB Cc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c(C)n1CC(F)(F)F 27688527 HCOZSPUOSXJENS-NSHDSACASA-N 368.355 3.887 0 40 FHAB O=C(COC(=O)c1ccc(Cl)nc1)Nc1ccc(N2CCCCC2)cc1 3246637 UPNVAGNAHIDQTM-UHFFFAOYSA-N 373.840 3.521 0 40 FHAB COc1cc(-c2cc(O)c3c(C)oc(C)c3c(=O)c2)cc(OC)c1OC 2101785 JCHNOJGFDLLXAV-UHFFFAOYSA-N 356.374 3.808 0 40 FHAB biogenic O=C(CCSc1ccc(Cl)cc1)NCCc1nccn1C(F)F 58328528 MTYLGVKCBUZCBT-UHFFFAOYSA-N 359.829 3.773 0 40 FHAB CCOc1ccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1 2224635 GJNJNISTNWOHJN-UHFFFAOYSA-N 355.369 3.846 0 40 FHAB COc1ccc([C@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)cc1O 36358494 GYGFQPYAEFFIHQ-GFCCVEGCSA-N 359.451 3.971 0 40 FHAB CCOc1ccc(CCC2CCN(C(=O)c3ccc(O)nc3)CC2)cc1 10994625 NODDWOSUZKAOTE-UHFFFAOYSA-N 354.450 3.671 0 40 FHAB CC(C)C[C@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccc2c(c1)OCO2 2460141 SMXQTJOFFISCNU-DQPZFDDXSA-N 374.481 3.711 0 40 FHAB COc1cc(/C=C/C(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)cc(OC)c1 12782564 QZLDMCXBXIGAAP-XLBHYRNJSA-N 357.372 3.954 0 40 FHAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cccnc1Cl 29439730 ZTQDSIJBLBUHDA-UHFFFAOYSA-N 372.639 3.753 0 40 FHAB O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1CCc2ccccc21 12775359 QVRMKKUXSRUBDQ-RHSMWYFYSA-N 372.877 3.947 0 40 FHAB COc1cc(NC(=O)CN(C2CC2)[C@@H]2CCc3ccccc32)cc(OC)c1 48303167 FLQXHAUZBHIHEQ-OAQYLSRUSA-N 366.461 3.794 0 40 FHAB CCOc1ccccc1[C@H]1C[C@@H](c2ccc(F)cc2)Nc2nc(N)nn21 13131613 XSWVLLHCMKCQLZ-JKSUJKDBSA-N 353.401 3.544 0 40 FHAB COc1cccc(/C=C/C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2C)c1 4090366 DZWPZYYZQBLBCG-XVJNWHFHSA-N 367.445 3.872 0 40 FHAB biogenic COc1cc(CNc2ccccc2)cc(I)c1OC 174286223 IMADGIFGYLWDFN-UHFFFAOYSA-N 369.202 3.921 0 40 FHAB Cc1ccc(C(=O)C2CCN(C(=O)CCc3c(C)noc3Cl)CC2)cc1 65475395 RZOKRSWNBPBWBL-UHFFFAOYSA-N 374.868 3.999 0 40 FHAB Cc1cc(C)n(-c2cc(N3C[C@@H](C)O[C@H](C)C3)nc(-c3ccccc3)n2)n1 5354146 XBJDAUWGUXZRDP-IAGOWNOFSA-N 363.465 3.560 0 40 FHAB COc1cccc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1 5420896 QMSFOZZTMVUCDN-UHFFFAOYSA-N 365.260 3.964 0 40 FHAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCc1cccs1 6618343 AWYOKSCVJWKXIV-IBGZPJMESA-N 364.470 3.926 0 40 FHAB CCn1c(SCc2cc(=O)oc3cc(O)ccc23)nnc1-c1ccco1 9112146 ZFLQCLKAKURENH-UHFFFAOYSA-N 369.402 3.662 0 40 FHAB COc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 4834161 VZXRCIZGWZKGLC-NSHDSACASA-N 365.813 3.772 0 40 FHAB Cn1c(SCCOC(=O)c2ccccc2)nnc1-c1ccccc1F 4947148 ATSNKVLQDRFQGP-UHFFFAOYSA-N 357.410 3.570 0 40 FHAB Cc1occc1-c1nnc(S[C@H](C)C(=O)N(C)Cc2ccccc2)n1C 7236503 VRJWWGRMYDEVQY-CQSZACIVSA-N 370.478 3.523 0 40 FHAB C[C@@H](NC(=O)c1cc(F)c(F)c(F)c1F)c1ccc(-n2ccnc2)cc1 15940966 VAZWTRSVWFOPEK-SNVBAGLBSA-N 363.314 3.920 0 40 FHAB COc1ccc([C@H](CNc2ccc(C(F)(F)F)cn2)N(C)C)cc1OC 7813819 BQPBBRXIRIRPQJ-AWEZNQCLSA-N 369.387 3.832 0 40 FHAB Cc1cccc(Oc2ccc(NC(=O)C[C@H]3CCS(=O)(=O)C3)cc2)c1 7922322 DRMUSIIUFVCRKY-OAHLLOKOSA-N 359.447 3.551 0 40 FHAB O=C(NCCSc1ccccc1)c1cc(Br)ccc1O 16498174 HYKNSRHSWSZGLC-UHFFFAOYSA-N 352.253 3.677 0 40 FHAB Cc1cc2c(F)c(Oc3ncnn4cc(C(C)(C)O)c(C)c34)ccc2[nH]1 91297566 BHTOEBTYCXDAEE-UHFFFAOYSA-N 354.385 3.986 0 40 FHAB O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)NC1CCCC1 9388505 NXUCWEGUKBPBSN-ZDUSSCGKSA-N 358.385 3.567 0 40 FHAB C[C@H](Sc1nc2ncc(Cl)cc2[nH]1)C(=O)Nc1ccc(Cl)cn1 9683407 NSPNNCGAUYMDSH-ZETCQYMHSA-N 368.249 3.779 0 40 FHAB O=C(C[C@H]1CCCN1CC(=O)N1CCCCCCC1)c1ccc(F)cc1 84387588 WSLIQPZBCCCXRX-LJQANCHMSA-N 360.473 3.656 0 40 FHAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)C1SCCS1 95444720 JLCIUEQUEOZCBK-UHFFFAOYSA-N 362.501 3.979 0 40 FHAB O=C(Nc1ccc2oc(C3CC3)nc2c1)N[C@@H]1CCC[C@@H]1n1ccnc1 75092578 QTKOLDDOSHEOMY-ZBFHGGJFSA-N 351.410 3.817 0 40 FHAB O=C1CCCc2cc(C(=O)N(Cc3ccco3)c3ccccn3)ccc2N1 89883797 RFIJQQKZBRADPY-UHFFFAOYSA-N 361.401 3.796 0 40 FHAB C[C@H]1CN(c2ccccc2NC(=O)NOCc2ccccc2)C[C@H](C)O1 89936877 BYRCQLDPQDUQKZ-HOTGVXAUSA-N 355.438 3.554 0 40 FHAB O=C(COC(=O)c1ccccc1)Nc1ccc(Br)c(Cl)c1 409200770 JGMAPXIQHHCTOW-UHFFFAOYSA-N 368.614 3.898 0 40 FHAB COc1ncccc1CN1CC[C@]2(CCn3c(-c4cccs4)cnc32)C1 306131627 KKLODLKVUJOUBE-FQEVSTJZSA-N 366.490 3.563 0 40 FHAB O=C1C[C@@H](c2ccc3c(c2)OCO3)c2ncn(-c3cccc(Cl)c3)c2N1 35324356 DSEQFMKQDAMUAM-AWEZNQCLSA-N 367.792 3.729 0 40 FHAB COc1ccc2c(c1OC)C(=O)O[C@H]2N1CCC(Cc2ccccc2)CC1 31809316 QVONDTDLCIJBGR-OAQYLSRUSA-N 367.445 3.828 0 40 FHAB CCc1ccc(NC(=S)NCc2ccccc2CN2CCOCC2)cc1 38229610 ASAJYMNOPWIFAC-UHFFFAOYSA-N 369.534 3.568 0 40 FHAB COc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)c3ccncc3)C2)c1 72358725 YWBZTENSWBFPPM-GOSISDBHSA-N 374.444 3.567 0 40 FHAB COc1ccc(CCC(=O)NCCSCc2cccc(C)c2)cc1OC 38756956 VZNSGLAIBGKHIC-UHFFFAOYSA-N 373.518 3.994 0 40 FHAB O=C1C[C@H](c2ccc(F)cc2)c2c(c(C(=O)O)cn2-c2ccc(F)cc2)N1 66087837 DXUAHMAHIKZDFL-OAHLLOKOSA-N 368.339 3.928 0 40 FHAB CCOC(=O)c1[nH]c(-c2ccco2)nc1NC(=O)Cc1ccc(Cl)cc1 33435925 MACCRHKQCOMWSI-UHFFFAOYSA-N 373.796 3.681 0 40 FHAB COc1ccccc1/C=C/CN1C[C@H]2CC[C@](O)(c3ncccc3C)[C@H]2C1 72395305 DHWXIFXJYZIXDS-QJURWHGDSA-N 364.489 3.641 0 40 FHAB COc1ccc(COC(=O)[C@H]2CCCCN2Cc2ccc(OC)cc2)cc1 79440024 PWPJEBGDBIUTEM-OAQYLSRUSA-N 369.461 3.802 0 40 FHAB COc1ccc(-c2cnc(CCC(=O)N3CCCCCC3)o2)c(OC)c1 224870687 LJVVWAYHLGIZTF-UHFFFAOYSA-N 358.438 3.694 0 40 FHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)[nH]1 223332974 GHCLJERQZKTIDB-ZWKOTPCHSA-N 352.463 3.792 0 40 FHAB CC[C@@H]1CCc2nc(NC(=O)c3ccc(Cn4cncn4)cc3)sc2C1 46783815 SEHXWZWIFHLQNM-CYBMUJFWSA-N 367.478 3.550 0 40 FHAB COc1cc2c(cc1S(=O)(=O)NCc1ccc(Cl)cc1)CCCC2 225874744 RSVLTUOEROOVMI-UHFFFAOYSA-N 365.882 3.706 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1 224386195 ADWFGSJEOXOXDX-HXUWFJFHSA-N 370.468 3.620 0 40 FHAB CNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 223350646 ROCBMRBMIGLJKP-HSZRJFAPSA-N 372.468 3.745 0 40 FHAB COc1ccccc1OCCNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 224284936 QNHFNUSHFMXRGA-MRXNPFEDSA-N 365.429 3.811 0 40 FHAB CCn1cc(C2CCN(C(=O)Nc3ccc(C(F)(F)F)nc3)CC2)cn1 131384295 ACDASHXHGGDTKY-UHFFFAOYSA-N 367.375 3.728 0 40 FHAB O=C(Cc1ccccc1Cl)NCc1nc(-c2ccccc2Cl)no1 225442380 SOHFUXRJSPCVBC-UHFFFAOYSA-N 362.216 3.902 0 40 FHAB CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccccc1OC 41077057 XAOFSLNOAKPTPL-UHFFFAOYSA-N 365.433 3.981 0 40 FHAB CC(C)CSc1nnc(NC(=O)CCc2ccc3c(c2)OCO3)s1 224613127 OCJFRIQFESIHJY-UHFFFAOYSA-N 365.480 3.586 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 223045639 LYNWKSPPBWSIRZ-OAQYLSRUSA-N 366.505 3.708 0 40 FHAB CCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCC[C@@H]2C)n1 225882891 YBNUVCZVRKENIL-AWEZNQCLSA-N 371.510 3.954 0 40 FHAB CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1cccc2ncccc12 96232284 DFYZDEZNUMPOLT-UHFFFAOYSA-N 358.401 3.787 0 40 FHAB CC(C)(C)C(=O)N1CC[C@H](Cc2cccc(-c3cccc(C(=O)O)c3)n2)C1 257256582 KMBZIUAAXLHXLJ-OAHLLOKOSA-N 366.461 3.884 0 40 FHAB CC(C)CNC(=O)CCCn1cc(-c2cccc(Br)c2)cn1 252481062 CHKLFHYCLOXLLH-UHFFFAOYSA-N 364.287 3.865 0 40 FHAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)C(C)(C)OC)o2)c1 257219702 DHUGGIOMDJUOAO-GOSISDBHSA-N 372.465 3.753 0 40 FHAB NC[C@H]1CCCC12CCN(C(=O)c1c[nH]cc1-c1ccc(F)cc1)CC2 1122556091 KPDXUQZNOURASV-MRXNPFEDSA-N 355.457 3.802 0 40 FHAB COc1cc(-c2ccc3c(c2)OC(C)(C)C(=O)N3)cnc1C(F)(F)F 1616043731 FZADRFXYXXLMOO-UHFFFAOYSA-N 352.312 3.886 0 40 FHAB CC1CCN(C(=O)c2ccccc2NC(=O)[C@@H]2Cc3ccccc3O2)CC1 79214853 HXJSWABFQKSKRS-FQEVSTJZSA-N 364.445 3.501 0 40 FHAB COc1cn(-c2ccccc2)nc1C(=O)OCCOc1ccc(Cl)cc1 5149959 MRIVFEQLOPZUSL-UHFFFAOYSA-N 372.808 3.770 0 40 FHAB CC(C)(C)c1n[nH]c(SCC(=O)Nc2ccc(N3CCCCC3)cc2)n1 12106261 SBCSIYUJCIPRDN-UHFFFAOYSA-N 373.526 3.823 0 40 FHAB CO[C@@H](C(=O)N1CCC(c2ccc3c(c2)OCO3)CC1)c1ccccc1 12114003 NMIZLKINVAIVFX-HXUWFJFHSA-N 353.418 3.509 0 40 FHAB Cc1cc(O)n2nc([C@@H]3CCN(Cc4ccc(OC(C)C)cc4)C3)cc2n1 12255169 OHIUMEFFFDZSEB-QGZVFWFLSA-N 366.465 3.520 0 40 FHAB CCCCCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 15339351 AMTXNXSAVAZCMX-UHFFFAOYSA-N 374.506 3.740 0 40 FHAB Cc1ccc(C)c(C(=O)CCC(=O)NCC(=O)Nc2c(C)cccc2C)c1 17858294 BBZQWXBNTODNGN-UHFFFAOYSA-N 366.461 3.638 0 40 FHAB Cc1ccc2[nH]cc([C@@H](O)CN3CCN(c4ccccc4Cl)CC3)c2c1 19220565 AMEBLQLJCCJZJW-NRFANRHFSA-N 369.896 3.985 0 40 FHAB Cc1c(C(=O)Nc2ccc(F)cc2)nnc2c(-c3ccc(F)cc3)cnn12 19817124 OMBKLHUZOFAFDI-UHFFFAOYSA-N 365.343 3.630 0 40 FHAB Clc1cnc2nc(C3CCN(c4ccn5nccc5n4)CC3)ccc2c1 1888920831 CCEQDPXDUZJWNK-UHFFFAOYSA-N 364.840 3.710 0 40 FHAB COc1ccc(CCN2C(=O)CS[C@H]2c2ccc(C)cc2)cc1OC 19898662 XPAIPWBUHCFJJQ-FQEVSTJZSA-N 357.475 3.829 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCc2sccc2C1 32904137 VTDJBTRYPGYRNR-UHFFFAOYSA-N 351.475 3.678 0 40 FHAB O=C1CO[C@]2(CCCN(C3CCCCC3)CC2)CN1c1ccc(F)cc1 2037840393 LSNHURCJNFHYIE-NRFANRHFSA-N 360.473 3.746 0 40 FHAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@@](O)(COc2ccccc2)CC1 2037912991 JLKZGDRQYJDWBK-QFIPXVFZSA-N 364.445 3.604 0 40 FHAB Cc1cc(C)c(C)c(S(=O)(=O)N2[C@H]3CC[C@H]2CC(n2cccn2)C3)c1C 1565519274 BPZGVUBTBVFTHP-ROUUACIJSA-N 373.522 3.674 0 40 FHAB COc1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCCO4)n2)cc1 6341659 LCNZVUUKPHRSAO-UHFFFAOYSA-N 368.414 3.842 0 40 FHAB O=C(NCCSC1CCOCC1)C1c2ccccc2Oc2ccccc21 206951513 DYNUUZSRLMZMDE-UHFFFAOYSA-N 369.486 3.953 0 40 FHAB COc1ccc([C@H](CNc2nn3cc(C(C)(C)C)nc3s2)N(C)C)cc1 40039758 GLYHOWDKKVYUKA-HNNXBMFYSA-N 373.526 3.812 0 40 FHAB C[C@H](c1ccc(Cl)cc1)N(C)CC(=O)N1CCC(c2ccccc2)=N1 32777544 YRENTCXPHQRJIG-OAHLLOKOSA-N 355.869 3.969 0 40 FHAB O=C(CN1CCC(Cc2ccccc2)CC1)N1N=CC[C@H]1c1ccccc1 8559885 XLNSAKYUEHNFKB-QFIPXVFZSA-N 361.489 3.901 0 40 FHAB Cc1nccc(-c2cccc(NC(=O)Cc3sc(S)nc3C)c2)n1 46386073 JBGSTQHYZOYVAJ-UHFFFAOYSA-N 356.476 3.687 0 40 FHAB Cc1ccccc1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 2642421 ZFXBTEHIIAOMHW-UHFFFAOYSA-N 355.397 3.946 0 40 FHAB Cc1nc(NCc2ccc(-n3ccnc3)nc2)c2c3c(sc2n1)CCC3 32888353 SKBIWPNYKQTCAJ-UHFFFAOYSA-N 362.462 3.681 0 40 FHAB Cc1cn2c(CN(C)C(=O)COc3ccccc3Cl)c(C)nc2s1 32843645 AFBQFGQKQMGCON-UHFFFAOYSA-N 363.870 3.703 0 40 FHAB COC(=O)C(Sc1ccc(O)cc1OC)(C(F)(F)F)C(F)(F)F 3103053 HCPAHPAKBJCBDF-UHFFFAOYSA-N 364.263 3.529 0 40 FHAB O=C(O)COc1ccc2c(-c3ccccc3F)noc2c1Br 4215069 QWOLGQYXAQSNAE-UHFFFAOYSA-N 366.142 3.860 0 40 FHAB in-man O=C(Cc1c(F)cccc1Cl)OCc1nc(-c2cccs2)no1 7123251 SKMCIPPKOWTTNF-UHFFFAOYSA-N 352.774 3.877 0 40 FHAB CC(C)N(C(=O)[C@H](C)OC(=O)Cc1cccc(C(F)(F)F)c1)C(C)C 69929479 ZBKVSFFAEHUZNU-ZDUSSCGKSA-N 359.388 3.825 0 40 FHAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/C=C/c3ccco3)C2=O)c1 33337561 AHTXOOIJMADDRF-KSSILLOLSA-N 368.414 3.819 0 40 FHAB COc1ccc(Oc2ncccc2NS(=O)(=O)c2ccccc2F)cc1 41615912 KOQXBXVSLYOWKH-UHFFFAOYSA-N 374.393 3.822 0 40 FHAB C[C@H]1CN(c2ccc(C(=O)N3CC[C@@H](C)c4ccccc43)cn2)C[C@@H](C)O1 41968649 QGTHONWOSLLCTO-ZACQAIPSSA-N 365.477 3.849 0 40 FHAB C[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 104004815 PAMHQJDEOXYCIL-OHFALNGGSA-N 360.523 3.541 0 40 FHAB CCc1nc2ccc(C(=O)Nc3ccc(-n4cccn4)nc3)cc2nc1CC 23073512 AYOOZRABDQPOCM-UHFFFAOYSA-N 372.432 3.588 0 40 FHAB CSc1ccc(C(=O)COC(=O)c2cccc(C)c2)cc1NC(C)=O 9641959 GXDYJOMHJZPOOJ-UHFFFAOYSA-N 357.431 3.715 0 40 FHAB COc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)Nc3ncnn32)cc1OC 2914190 FCVSYOCNNLEPOC-DLBZAZTESA-N 350.422 3.750 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 23675088 IJVAPRGGIOXDJU-OEMHODTASA-N 364.489 3.620 0 40 FHAB CN(CCNC(=O)N1CCC(c2nc3ccccc3o2)CC1)C1CCCC1 105293535 IKZKQHXDKUPIFX-UHFFFAOYSA-N 370.497 3.591 0 40 FHAB Cc1c(C)c(C)c(S(=O)(=O)Nc2cc(C(=O)O)ccc2F)c(C)c1C 24433213 NESXNOKVTQXAHI-UHFFFAOYSA-N 365.426 3.867 0 40 FHAB CC(C)NC(=O)CN(C)[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 24716824 LTNAMLYSDFZFAC-OAQYLSRUSA-N 363.461 3.548 0 40 FHAB COc1cc([C@@H](C)NC(=O)Nc2ccc(Cl)cc2)ccc1OCCO 55338922 FJAUCNJSAUJLTI-GFCCVEGCSA-N 364.829 3.602 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(N[C@H](C)CCc2ccccc2)nc1 25784559 KLPNCQQRXPFZEH-MRXNPFEDSA-N 361.511 3.545 0 40 FHAB O=C(N[C@@H]1CCN(C2CCCCCC2)C1)c1csc(-c2ccccn2)n1 72230569 BKZABEAXGDSTJE-OAHLLOKOSA-N 370.522 3.732 0 40 FHAB CN(c1ccccc1Cl)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1 3228294 FIJFJEMTLTXRLU-UHFFFAOYSA-N 360.218 3.517 0 40 FHAB COc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc(OC)c1OC 1734049 TUOPZYXEXLHGSS-UHFFFAOYSA-N 370.449 3.955 0 40 FHAB CCOC(=O)[C@H]1CC(=O)N(c2ccc3oc(-c4cccc(F)c4)nc3c2)C1 57326989 UJYKBLZLXQSKFY-ZDUSSCGKSA-N 368.364 3.550 0 40 FHAB C[C@H](CN(C)C(C)(C)C)OC(=O)C(O)(c1ccccc1)c1ccccc1 1837316 XCLBRBKORPURBG-QGZVFWFLSA-N 355.478 3.585 0 40 FHAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccc2ccccc2n1 21768454 XJFRSNROUFTVPT-UHFFFAOYSA-N 363.398 3.868 0 40 FHAB O=C(NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)Nc1ccccc1Cl 58159044 ZZAJROVAKUKUQZ-KRWDZBQOSA-N 373.840 3.779 0 40 FHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@@H](C)c1ccco1 10296652 AJKFZZZGRUEUQS-AWEZNQCLSA-N 362.433 3.902 0 40 FHAB O=C(CC[C@H]1CCCO1)NCc1ccc(Cn2cnc3ccccc32)cc1 58224563 OCKJSYHHIDYLKU-LJQANCHMSA-N 363.461 3.660 0 40 FHAB CC[C@@H](C)NC(=O)N1CCC[C@@H](CN(C(=O)OC(C)(C)C)C(C)C)C1 58291557 JIGZEZPIGNIREQ-HZPDHXFCSA-N 355.523 3.852 0 40 FHAB O=C(CSc1nc(COc2ccc(Cl)cc2)n[nH]1)Nc1ccccc1 21112673 QKMKWGOEBWTNQE-UHFFFAOYSA-N 374.853 3.768 0 40 FHAB COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1ccc(O)cc1)C2=O 2195920 JFIYRVDCLVDJCP-UHFFFAOYSA-N 361.353 3.994 0 40 FHAB aggregator COc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccccc2F)cc1C 27740793 JIHODGQYKTVAJR-GFCCVEGCSA-N 371.368 3.599 0 40 FHAB Cc1cc(Oc2ncccn2)ccc1NC(=O)Cc1noc2ccccc12 58357560 XYPMFETUGXQVEJ-UHFFFAOYSA-N 360.373 3.900 0 40 FHAB COc1ccccc1CNc1ncccc1C(=O)Nc1ccccc1OC 22072177 MOEILASBLHOEFY-UHFFFAOYSA-N 363.417 3.963 0 40 FHAB CC(=O)c1cccc(S(=O)(=O)Oc2ccc(C)c3c2C(=O)C[C@H]3C)c1 10664077 WIWCILSPUBIBMD-GFCCVEGCSA-N 358.415 3.655 0 40 FHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)C[C@@H]1CCCO1 58964968 USLDAJZZRBIAEH-NSHDSACASA-N 352.793 3.694 0 40 FHAB COC(=O)c1ccc(N2CCCC2)c(NCCOc2ccc(OC)cc2)c1 12739545 CUVWBWVQARUQFI-UHFFFAOYSA-N 370.449 3.573 0 40 FHAB CCc1ccc([C@H](NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)C(C)C)cc1 36784028 QLCOTQRHHHNURF-VQTJNVASSA-N 351.446 3.844 0 40 FHAB CSc1ccccc1NC(=O)CCn1nnc(-c2ccc(Cl)cc2)n1 12806311 FJMZQWCGGLDYMW-UHFFFAOYSA-N 373.869 3.744 0 40 FHAB O=C(Cc1ccc(Cl)cc1Cl)NCCc1ccc2c(c1)OCCO2 3400153 HKGGVYPORQHQKJ-UHFFFAOYSA-N 366.244 3.666 0 40 FHAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 408556722 JIXWQBWRHOTJSX-UHFFFAOYSA-N 372.805 3.848 0 40 FHAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(OC)c(OC)c2)c(C)c1 20460775 OTISUTMEMWHLIG-UHFFFAOYSA-N 371.433 3.760 0 40 FHAB NC(=O)COc1ccc(CNc2cccc(Cl)c2)cc1Br 408556979 MATHLOXYESFVJY-UHFFFAOYSA-N 369.646 3.579 0 40 FHAB CCNC(=O)c1ccccc1NC(=O)c1csc(Br)c1 28010971 YNFYVYYBFVHASM-UHFFFAOYSA-N 353.241 3.513 0 40 FHAB O=C(Nc1nc2ccccc2[nH]1)c1cc(F)ccc1NC(=O)N1CCCC1 49547416 WKADTYHYGXOLKA-UHFFFAOYSA-N 367.384 3.582 0 40 FHAB C[C@@H](OC[C@H](O)CN(C)CCOc1ccccc1)c1ccc(Cl)cc1 4195223 OCSMUQVEZDDREZ-VQIMIIECSA-N 363.885 3.789 0 40 FHAB CC(=O)Nc1nc2ccc(C(=O)N[C@@H](C)CCc3ccco3)cc2s1 13727916 WQPCCNZXTPAAGF-NSHDSACASA-N 357.435 3.599 0 40 FHAB O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)Nc1ccccn1 8993598 LWTIWMWRLUTGDT-UHFFFAOYSA-N 372.380 3.873 0 40 FHAB biogenic O=C([C@@H](Sc1nnc(-c2cccnc2)o1)c1ccccc1)N1CCCC1 5473627 WKPQLIUVKDKBKK-INIZCTEOSA-N 366.446 3.587 0 40 FHAB C[C@H](Sc1nc([C@H]2CCCO2)n[nH]1)C(=O)Nc1ccc(F)cc1Cl 8940545 KBBPBFMPJCEQDI-QPUJVOFHSA-N 370.837 3.568 0 40 FHAB CSc1ccc([C@H]2SCC(=O)N2C[C@@H]2COc3ccccc3O2)cc1 6585832 ITDWBTGYFQNGJF-AUUYWEPGSA-N 373.499 3.823 0 40 FHAB O=C(Nc1cccc(Br)c1)C1=NN(c2ccccc2)C(=O)CC1 5558299 YRADWGYHHFPDLY-UHFFFAOYSA-N 372.222 3.571 0 40 FHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nc2ccccc2o1 6608103 FKROLWPWVLGAKY-LBPRGKRZSA-N 367.430 3.684 0 40 FHAB Cc1ccc(C2=N/C(=C\c3ccc(Cl)cc3)C(=O)N2CCC(=O)O)cc1 4747608 WVFWPEKHXUDJHB-ATVHPVEESA-N 368.820 3.753 0 40 FHAB Cc1sc2nc([C@H](C)Sc3nnc(C)n3C3CC3)[nH]c(=O)c2c1C 6934748 PAJHDPNZBBEGAK-VIFPVBQESA-N 361.496 3.690 0 40 FHAB COC(=O)c1cccc(Nc2c(-c3ccc(O)cc3)nc3cnccn23)c1 15414466 SVCOVGGWRLSOCI-UHFFFAOYSA-N 360.373 3.632 0 40 FHAB CCC[C@H](C)NC(=O)COc1ccc(NC(=O)c2ccccc2OC)cc1 7191787 QUBARWSGMPFBBK-HNNXBMFYSA-N 370.449 3.631 0 40 FHAB Cc1ccc(F)cc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 7474883 HVEBOEJWTVRDMI-UHFFFAOYSA-N 358.457 3.795 0 40 FHAB Cc1ccc(OCC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1C 15860041 QTARATLWHMLJBN-LJQANCHMSA-N 356.466 3.619 0 40 FHAB CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)CCC3)nnc1C1CC1 7841327 GKJMSNUYAWBOTL-GFCCVEGCSA-N 356.495 3.783 0 40 FHAB O[C@H](CNc1nccc(C(F)(F)F)n1)c1ccccc1C(F)(F)F 68998254 OZSDTEKDNHNWDW-SNVBAGLBSA-N 351.250 3.660 0 40 FHAB O=C(Cn1ccc(C(F)(F)F)n1)N[C@@H](c1ccc(Cl)cc1)C1CC1 8271228 SXSZFMCQXWOCDJ-OAHLLOKOSA-N 357.763 3.823 0 40 FHAB CCOc1ccc(/C=C/C(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1 8285174 VOBAXTNRWZHIKN-JLHYYAGUSA-N 372.852 3.849 0 40 FHAB CCCNCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 17079795 JANBQZHESDWGFR-UHFFFAOYSA-N 354.273 3.511 0 40 FHAB Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccco2)c(C)c1 408842954 KSMNSLDASCWOFH-UHFFFAOYSA-N 374.396 3.797 0 40 FHAB COc1ccc(/C=C/C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 9419901 TZHAKPDTCUIAOP-DHZHZOJOSA-N 361.445 3.991 0 40 FHAB COc1cc(/C=C/c2nccc(-c3cnn(C)c3)n2)ccc1OC(F)F 93902922 QBFSXMBBSZDLMX-GQCTYLIASA-N 358.348 3.658 0 40 FHAB CCn1cnnc1SCc1nnc(-c2c(-c3ccccc3)noc2C)o1 9514068 BJAAMJQWKPPGSZ-UHFFFAOYSA-N 368.422 3.604 0 40 FHAB COc1ccc(NC(=S)N2C(=O)CSc3ccccc32)c(OC)c1 28527725 CCTMQXCUTREYTN-UHFFFAOYSA-N 360.460 3.540 0 40 FHAB O=C(NCCCOc1cccc2cccnc12)N1CCc2sccc2C1 72306280 NZIDBYCCPRDFAP-UHFFFAOYSA-N 367.474 3.833 0 40 FHAB Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cnc3c(c2)c(C)nn3C)o1 72303809 ASWFKKJIQVUPJF-SJCJKPOMSA-N 352.438 3.792 0 40 FHAB COc1ccc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 9690435 DHXBGYBSNZPPCS-UHFFFAOYSA-N 353.422 3.578 0 40 FHAB O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)N[C@@H]1CCCCC[C@H]1CO 84335114 QSSUSIPINAEHPN-SUMWQHHRSA-N 367.440 3.628 0 40 FHAB CCc1ccc(Nc2nnc(SCc3ccc(F)cc3)n(C)c2=O)cc1 28537770 XKENGPGTRWBJKY-UHFFFAOYSA-N 370.453 3.913 0 40 FHAB Cc1sc2ccccc2c1S(=O)(=O)Nc1cn[nH]c1-c1ccccn1 95427313 FPXPDMKWDKWORQ-UHFFFAOYSA-N 370.459 3.796 0 40 FHAB O=C(c1cnc(OCC(F)(F)F)c(Cl)c1)N1CCC[C@@H]1c1ccc[nH]1 95953865 PIIMAQZLIIQZLS-CYBMUJFWSA-N 373.762 3.982 0 40 FHAB CCc1ccsc1C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C 89289597 JYERSFCPIWOFEH-QWHCGFSZSA-N 352.500 3.686 0 40 FHAB CCCCOc1ccc(NC(=O)C(=O)NCCCc2ccccc2)cc1 408709209 PPVOGKZGAPGLOO-UHFFFAOYSA-N 354.450 3.553 0 40 FHAB CC[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 1556809174 FSJBOOFECRUQQU-KZNAEPCWSA-N 363.546 3.683 0 40 FHAB CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3cccc(OC)c3O)S2)cc1 408774691 XRESNCGVKKGZCQ-KZIRBZLESA-N 356.447 3.563 0 40 FHAB COC(=O)c1cc(I)ccc1OCc1ccccc1 34536261 YVAHIUJFVCAHBL-UHFFFAOYSA-N 368.170 3.657 0 40 FHAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)cc1 35289588 RCVUBWQQDSZNKM-KRWDZBQOSA-N 373.840 3.984 0 40 FHAB COc1cccc(-c2noc(CN(C)C(=O)c3cc4ccccc4o3)n2)c1 219950744 GBFLRBWAYGIXFP-UHFFFAOYSA-N 363.373 3.764 0 40 FHAB Cc1nccn1-c1nccnc1C1CCN(CCCc2ccccc2)CC1 72350647 KYQFFQGLRSHIFD-UHFFFAOYSA-N 361.493 3.783 0 40 FHAB CC[C@@H](NS(=O)(=O)Cc1ccccc1Cl)c1ccc(OC)cc1 30758715 DMGMDBXGMFRPEK-QGZVFWFLSA-N 353.871 3.919 0 40 FHAB COc1cccc2sc(N(C)CC(=O)NCCC3=CCCCC3)nc12 70973183 OBFUPTGPWWKGER-UHFFFAOYSA-N 359.495 3.748 0 40 FHAB CCN(CC1CC1)C(=O)N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 563083099 QCXNKKNFPBYLSQ-HNNXBMFYSA-N 374.435 3.585 0 40 FHAB O=C(NC[C@@H]1COc2ccccc2O1)/C(=C/c1ccco1)c1ccccc1 225238016 FNZJLUNVNDTNPS-UIMCMNAESA-N 361.397 3.776 0 40 FHAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 224989042 DRVHXZLGESVDJA-IYBDPMFKSA-N 366.933 3.982 0 40 FHAB Cc1ccc(OCCNC(=O)COc2ccc3c(c2)CCCC3)c(C)c1 225168285 WXSSITWLTUPIRT-UHFFFAOYSA-N 353.462 3.756 0 40 FHAB CCOc1cc2c(cc1[C@@H]1SCC(O)=Nc3c1cnn3C)O[C@@H](C)C2 49547706 WFJOOSKTMKDHBI-BTDLBPIBSA-N 359.451 3.566 0 40 FHAB O=C(NCc1ccc(Cl)cc1)N[C@@H](c1cccnc1)C1CCOCC1 225623335 RTWSFSSNPGZUFT-GOSISDBHSA-N 359.857 3.702 0 40 FHAB O=C(CCc1nc(-c2cccc3ccccc23)no1)NCc1ccncc1 225827619 YJMGPKOUINCIKZ-UHFFFAOYSA-N 358.401 3.534 0 40 FHAB COCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1Cl 225639162 WNSKZVNYQVWWOU-ACJLOTCBSA-N 355.862 3.899 0 40 FHAB CCN(CC)C(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC)cc1 42629906 NETTZYMGFZQZCR-NTCAYCPXSA-N 352.434 3.829 0 40 FHAB O=C(Cc1ccc(Cl)cc1F)NCc1cccc(CN2CCCC2)c1 224637571 CWSJCWOPWCMVHB-UHFFFAOYSA-N 360.860 3.934 0 40 FHAB Cc1cc(-c2nc(-c3n[nH]c4ccccc34)no2)nn1-c1cccc(F)c1 579937767 JHPWIQZFUDLQST-UHFFFAOYSA-N 360.352 3.913 0 40 FHAB Cc1nc(-c2ccnn2C(C)C)cc([C@@H]2CCCN(C(=O)C(C)(C)C)C2)n1 257212863 CFGISVSOBULEFT-MRXNPFEDSA-N 369.513 3.982 0 40 FHAB C[C@H](O)C[C@@H]1CCCCCN1C(=O)c1ccc(Nc2cccnc2)cc1 614721089 GSDCYOBAKTYJOQ-JXFKEZNVSA-N 353.466 3.981 0 40 FHAB CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1 623442289 IBCAADGGWRUFDW-OAHLLOKOSA-N 374.843 3.600 0 40 FHAB Cc1cc(C2(NC(=O)Nc3ccccc3C(C)(F)F)CCOCC2)on1 626577494 DJMRYOPLHRMPKF-UHFFFAOYSA-N 365.380 3.922 0 40 FHAB CCc1nc(NC(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)sc1C 654009881 NKZWDDAJFRWSQY-MWLCHTKSSA-N 351.394 3.635 0 40 FHAB Cc1noc(C)c1C[C@H](C)NC(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 606305114 PFPKTIIWZHLRLZ-QOIYZWAUSA-N 350.503 3.816 0 40 FHAB CCOC(=O)c1csc(NC(=O)C[C@H]2CCCc3cc(OC)ccc32)n1 57194288 VIAWHYWWGIKRKU-CYBMUJFWSA-N 374.462 3.777 0 40 FHAB CCN(CC)c1ccc(C(=O)Nc2ccc(NC(=O)OC)cc2)c(O)c1 54083937 QXQIHDAXSWGTEI-UHFFFAOYSA-N 357.410 3.669 0 40 FHAB Cc1cc(C)c2nc(NC(=O)CSc3nnc4ccccn34)sc2c1 5428841 DRYXNUISMFPXOY-UHFFFAOYSA-N 369.475 3.687 0 40 FHAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2cccc(SC)c2)c1 5778701 DPIJDLXBRSBHPN-MDZDMXLPSA-N 357.431 3.612 0 40 FHAB CC(C)COc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)O)cc1 5844271 VOFLQFAQLIKXLE-UHFFFAOYSA-N 372.446 3.546 0 40 FHAB COc1cc(OC)c(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1Cl 11600260 ILDSIGGGOSWNIQ-UHFFFAOYSA-N 374.824 3.736 0 40 FHAB CCSc1ncc(CN2CCC[C@](O)(c3ccc(F)cc3)CC2)cn1 12188849 AHXPKXBRGRBMSW-LJQANCHMSA-N 361.486 3.601 0 40 FHAB Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(F)cc3)CC1)O2 12293762 MCZKOYYYOZMNKA-PMACEKPBSA-N 371.452 3.518 0 40 FHAB Cn1cc(-c2cc(-c3cnn(C)c3)n(-c3ccc(Cl)cc3Cl)n2)cn1 17076389 CGGOHLTZHSTSHQ-UHFFFAOYSA-N 373.247 3.980 0 40 FHAB Cc1nc(C)n(C[C@H](C)C(=O)Nc2ccc(-c3cccc(F)c3)cc2)n1 19285951 WIOWNDNAWISJOS-ZDUSSCGKSA-N 352.413 3.976 0 40 FHAB CCN(C(C)=O)[C@@H]1CN(Cc2cccc(OC)c2OC)C2(CCCCC2)C1 19703920 QCRZMWJQCQQKEM-IBGZPJMESA-N 374.525 3.849 0 40 FHAB CCC(=O)Oc1ccc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1OC 5417066 PGBDRQGJNJBPAZ-WJDWOHSUSA-N 365.385 3.664 0 40 FHAB O=C(NC1(c2nnc3n2CCCC3)CCC1)c1cccc(C(F)F)c1F 606444746 RVCUCLGTXWYGTG-UHFFFAOYSA-N 364.371 3.500 0 40 FHAB CCN1CCN(C(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)[C@H](C)C1 585082380 LBXIBJANHFRUIY-LLVKDONJSA-N 365.449 3.563 0 40 FHAB Fc1ccc(CN2CC[C@H](Oc3ccncc3Br)C2)cc1F 1888864439 QHOOJBBWACZBTG-LBPRGKRZSA-N 369.209 3.776 0 40 FHAB Nc1ccccc1SCC(=O)Nc1ccc(Br)cc1F 32691423 IPXPCMSOEMCPQW-UHFFFAOYSA-N 355.232 3.901 0 40 FHAB CC(C)(C)c1nnc2sc(SCc3ccc(Cl)cc3)nn2c1=O 1432911 VSQIIRRUZXDQOD-UHFFFAOYSA-N 366.899 3.789 0 40 FHAB Cc1nn(Cc2ccc(F)cc2)c(=O)c2c1cnn2-c1cccc(Cl)c1 12228163 HJGCKRDWVZRHRG-UHFFFAOYSA-N 368.799 3.731 0 40 FHAB COc1ccc(CCC(=O)NC[C@H](c2ccsc2)N2CCCC2)cc1 13011478 SOTGZLQOEZQKTM-LJQANCHMSA-N 358.507 3.643 0 40 FHAB C[C@@H](NC(=O)C(=O)NCc1cc(-c2ccsc2)cs1)c1ccccc1 1775969911 RKRHDBZYLXJYDS-CYBMUJFWSA-N 370.499 3.970 0 40 FHAB O=C(NCC[C@@H](CCO)c1ccccc1)c1cccc(Br)c1 206626083 JUKWHVWPUJLDDN-HNNXBMFYSA-N 362.267 3.735 0 40 FHAB CCCCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)O)cc1 5861895 RMKCMUQRGZLLIV-UHFFFAOYSA-N 372.446 3.691 0 40 FHAB COc1ccc([C@H](NC(=O)C[C@H]2OC(=O)c3ccccc32)C2CC2)cc1 73089218 UPEOUCDTWPVSSN-UYAOXDASSA-N 351.402 3.564 0 40 FHAB Cc1cc(C(=O)NCc2nnc3ccccn23)c(C)n1C1CCCCC1 40017829 QBZPRYZLUUXRGI-UHFFFAOYSA-N 351.454 3.583 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCCN(CC3CCCCC3)CC2)c1C 40157549 VOTSZYHIZDOWGR-UHFFFAOYSA-N 359.514 3.562 0 40 FHAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(N3CCCC3)cn2)cc1 30854337 FVQMSGOQVRXLAM-KSSFIOAISA-N 364.449 3.529 0 40 FHAB Fc1ccc(-c2ccc(CNCc3cccnc3N3CCOCC3)o2)cc1 30901638 KQTNMHVTBKEEDC-UHFFFAOYSA-N 367.424 3.607 0 40 FHAB CC1(C)OC(=O)C2=C1NC(=O)C[C@@H]2c1ccc(-c2cccc(Cl)c2)o1 101716162 IAZLXEJQIDHPCO-GFCCVEGCSA-N 357.793 3.793 0 40 FHAB COc1cc(OC)c2cc(C(=O)Nc3ccc(F)cc3F)[nH]c2c1OC 32652315 BKBHCQNMWDDMCT-UHFFFAOYSA-N 362.332 3.724 0 40 FHAB CCOc1cc(C(=O)NCc2cccc(OC)c2)cc(OCC)c1OCC 8379224 ZCLOLHLFFNUGBD-UHFFFAOYSA-N 373.449 3.821 0 40 FHAB COCCn1c(C)cc(C(=O)CSc2ccc(NC(C)=O)cc2)c1C 2618563 WQBKGTJPOPZNAU-UHFFFAOYSA-N 360.479 3.685 0 40 FHAB COc1cccc(C(=O)Nc2nnc(COc3ccc(F)cc3)s2)c1 778502 SFRXPRWYPSCAOF-UHFFFAOYSA-N 359.382 3.517 0 40 FHAB CCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)O)cc2)cc1OCC 12082634 URBCBFHEAVNZRI-WUXMJOGZSA-N 355.390 3.834 0 40 FHAB COc1cc(NC(=O)C(C)C)c(OC)cc1NC(=O)c1cccc(F)c1 1324325 OMIKJDQHRWMPPB-UHFFFAOYSA-N 360.385 3.690 0 40 FHAB CCC(=O)N(c1ccccc1)[C@H](C)CN1CCC(O)(c2ccccc2)CC1 1640697 ZNWGHTXKMQEDBT-LJQANCHMSA-N 366.505 3.802 0 40 FHAB Cc1ccc(OC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)cc1 102531982 OWXJDIANIZXZCB-SLUIBLPYSA-N 373.408 3.526 0 40 FHAB O=C(Cc1ccc(NC(=O)C2CC2)cc1)N[C@H]1CCCOc2ccccc21 79880607 NZLLATWBJHWSCE-IBGZPJMESA-N 364.445 3.608 0 40 FHAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)COc2ccc(C)cc2OC)cc1 3435513 NKTCILYFQUSXMF-OAHLLOKOSA-N 372.417 3.596 0 40 FHAB O=c1[nH]c2ccccc2n1CCCSc1nnc(-c2ccccc2)o1 3568164 OMVZVNSCZVYOTJ-UHFFFAOYSA-N 352.419 3.562 0 40 FHAB O=C(NCCc1ccccn1)c1ccc(-c2ccc3c(c2)OCCO3)s1 21899796 IXWKYIBGGLYJLO-UHFFFAOYSA-N 366.442 3.554 0 40 FHAB O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1nc2ccccc2s1 4680826 UZWBCAQNSAMYIC-UHFFFAOYSA-N 367.459 3.812 0 40 FHAB O=C(N[C@@H](n1nnc2ccccc21)C(Cl)(Cl)Cl)c1ccccc1 4714278 POOIYAHTUIUZLU-AWEZNQCLSA-N 369.639 3.730 0 40 FHAB Cc1ccc(C)c(NC(=S)N2[C@H]3CCC[C@@H]2CC(NC(=O)C2CC2)C3)c1 4857362 PSIQYSRGYUQJNU-AYHJJNSGSA-N 371.550 3.912 0 40 FHAB CCCCNC(=O)CN1C(=O)S/C(=C\c2cccc3ccccc23)C1=O 6648382 MIDBMFJORAKWBZ-ATVHPVEESA-N 368.458 3.792 0 40 FHAB CCN(C(=O)CSc1nnnn1-c1ccc(C)cc1C)C1CCCCC1 6881335 XSHXARAZEICKKS-UHFFFAOYSA-N 373.526 3.552 0 40 FHAB O=C(COC(=O)CCC(=O)c1ccccc1)Nc1cccc2ccccc12 7396141 IAOPFQACFWNNHP-UHFFFAOYSA-N 361.397 3.985 0 40 FHAB COc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc(C)c(F)c4)C3)n2)cc1 10336643 RQKASLAXCLUCPJ-AWEZNQCLSA-N 367.380 3.713 0 40 FHAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C)cc1 8041200 SRPWEAATOWOZAG-INIZCTEOSA-N 354.450 3.883 0 40 FHAB O=C(Nc1cccc(F)c1)c1cccc(NS(=O)(=O)c2ccccc2)c1 8287582 CGDBUJMEEJQOQP-UHFFFAOYSA-N 370.405 3.879 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)c1nnn2c1nc(O)c1ccccc12 2957603 JLZSDGHUEHAUGU-UHFFFAOYSA-N 374.187 3.542 0 40 FHAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(F)cc1 803523 BQSANNDUURUIHN-UHFFFAOYSA-N 368.330 3.933 0 40 FHAB Cc1ccc(Nc2nc3c(N)nnc(N)c3nc2Nc2ccc(C)cc2)cc1 946368 PHRRSLBTVPEKNL-UHFFFAOYSA-N 372.436 3.688 0 40 FHAB COc1ccc(NC(=O)[C@H](C)Oc2cccc(Br)c2)cc1 934654 LUEHBFKSJASUEK-NSHDSACASA-N 350.212 3.864 0 40 FHAB Cc1c(Cl)cccc1NC(=O)CSc1nc(N)c2ccsc2n1 9647686 AGXSTCCMMHHITC-UHFFFAOYSA-N 364.883 3.966 0 40 FHAB O=C(OCCCn1c(=O)[nH]c2ccccc21)c1cc2c(s1)CCCCC2 23761320 UEWUKYSWWHRHJU-UHFFFAOYSA-N 370.474 3.907 0 40 FHAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 12551165 KPHXDZLJBZWZNH-QGZVFWFLSA-N 374.444 3.568 0 40 FHAB Cc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1 59502206 PSFRKPXHWZPJOL-UHFFFAOYSA-N 370.408 3.896 0 40 FHAB O=C(COC(=O)/C=C/c1cccs1)Nc1ccc(Br)cc1 3228491 RIVXZCJYFJFCAV-BQYQJAHWSA-N 366.236 3.706 0 40 FHAB CC(=O)c1cc2c(cc1NC(=O)Cc1ccc(C(F)(F)F)cc1)OCO2 58423199 YBBOWGVHTVLMPY-UHFFFAOYSA-N 365.307 3.818 0 40 FHAB CSc1cccc(N2C[C@@H](C(=O)Nc3cc(F)ccc3C)CC2=O)c1 12607447 IVHBFNQOEIUWDA-ZDUSSCGKSA-N 358.438 3.848 0 40 FHAB O=C(COc1ccccc1-c1nc(-c2ccccc2)no1)Nc1ccncc1 21524645 WJVLAPXAYWQELD-UHFFFAOYSA-N 372.384 3.816 0 40 FHAB COc1ccc(C(=O)N2CCc3cc(Br)ccc32)cc1OC 109236097 GSYLWHWDBGVTGU-UHFFFAOYSA-N 362.223 3.669 0 40 FHAB O=C(COC(=O)COc1ccc2ccccc2c1)Nc1ccc(F)cc1 3317125 UFSQIHSKJQIOBL-UHFFFAOYSA-N 353.349 3.540 0 40 FHAB O=C(NCc1ccnc(Oc2ccccc2)c1)c1cc(-c2cccnc2)on1 44539614 GFDJPAYKINLBKK-UHFFFAOYSA-N 372.384 3.854 0 40 FHAB CC[C@H]1CCc2sc(C(=O)NCC(=O)OCc3ccccc3)cc2C1 3344769 PAKSVOZEQISKFE-AWEZNQCLSA-N 357.475 3.736 0 40 FHAB COc1ccccc1CSCc1nc(N)nc(Nc2ccccc2C)n1 10037703 AWAAHPIUEHDNSB-UHFFFAOYSA-N 367.478 3.948 0 40 FHAB O=C(Nc1ccc2c(c1)CCC2)[C@@H]1CCCCN1C(=O)c1cccs1 12745060 DBLIHIPHYAUKDB-KRWDZBQOSA-N 354.475 3.870 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(OC)c1 20481642 SJFMKSOWKJKVGZ-HNNXBMFYSA-N 370.449 3.631 0 40 FHAB Cc1n[nH]c2c1[C@@H](c1c(C)nn(-c3ccccc3)c1C)SCC(O)=N2 44903702 JWUSHYLPWJLVEA-QGZVFWFLSA-N 353.451 3.945 0 40 FHAB CCn1cc(C(=O)Nc2ccc3c(c2)OCO3)c(=O)c2cc(Cl)ccc21 22234906 IYRYXNSJYINWRF-UHFFFAOYSA-N 370.792 3.656 0 40 FHAB C[C@@H](NC(=O)COc1cccc(NC(=O)C2CC2)c1)c1ccc(F)c(F)c1 36396772 HTHSBXUUQURFIE-GFCCVEGCSA-N 374.387 3.570 0 40 FHAB O=C(N[C@@H](c1ccccc1)C1CC1)C1CCN(C(=O)c2ccsc2)CC1 48303153 IHDMEIOERAENLI-IBGZPJMESA-N 368.502 3.868 0 40 FHAB COc1cccc(/C=C2\S[C](Nc3ccccc3F)NC2=O)c1OC 408809966 OPHPLIWUXCFAQY-UHFFFAOYSA-N 359.402 3.606 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCN(c2ccccc2)CC1 3422953 PPMRWINQYGUQLM-UHFFFAOYSA-N 374.488 3.511 0 40 FHAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 25042983 ZGNIWGKNMHSAIX-LLVKDONJSA-N 367.327 3.734 0 40 FHAB Cc1ccc(N(C(=O)CCc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1C 4165418 OGUYSTWFLKZPGI-HXUWFJFHSA-N 369.486 3.580 0 40 FHAB O=C(COC(=O)c1c(F)cccc1Cl)NC12CC3CC(CC(C3)C1)C2 5109769 LTBJMBMPUAQCOU-UHFFFAOYSA-N 365.832 3.721 0 40 FHAB Cc1ccc(-n2cnnc2SCCn2c(C)csc2=O)cc1Cl 8775105 YXCOMISENFHOEH-UHFFFAOYSA-N 366.899 3.553 0 40 FHAB Cc1oc(CO)cc1C(=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 14020227 BPVBTPDLQOTFRZ-UHFFFAOYSA-N 362.381 3.691 0 40 FHAB CCCNC(=O)c1cc(S(=O)(=O)Nc2c(C)cccc2C)ccc1C 408604340 LZICNAJIWZHLBI-UHFFFAOYSA-N 360.479 3.552 0 40 FHAB O=C1CCSc2ccc(C(=O)Nc3ccc4c(c3)OCCCO4)cc2N1 14183867 FYGCKSGIRPTBER-UHFFFAOYSA-N 370.430 3.535 0 40 FHAB Cc1ccc(/C=C/c2nc(=S)n(CN(C)CCOc3ccccc3)[nH]2)o1 14198056 VTETWXKIEHIWAZ-ZHACJKMWSA-N 370.478 3.981 0 40 FHAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1nc(C)no1)CC2 14245087 OFGOTWAPPGKDKZ-LJQANCHMSA-N 371.462 3.604 0 40 FHAB CC(=O)c1ccc(-n2cc[n+](Cc3cc(Br)ccc3F)c2)cc1 65887049 LPGHWIJXPPHBDS-UHFFFAOYSA-N 374.233 3.917 0 40 FHAB COCCCN1C(=O)S/C(=C/c2cc(Cl)c(O)c(Cl)c2)C1=O 4648663 KKTJRHBFCPZZHR-YRNVUSSQSA-N 362.234 3.772 0 40 FHAB O=Cc1ccc(N2CCN(Cc3ccccc3)CC2)cc1Br 14628788 GAUATSZMWJVZQX-UHFFFAOYSA-N 359.267 3.584 0 40 FHAB Cc1cccc(OCc2nnc(S)n2-c2ccc3c(c2)OCCO3)c1C 6789383 KOONEDBANGQUBV-UHFFFAOYSA-N 369.446 3.523 0 40 FHAB O=C(CNc1cccc(C(F)(F)F)c1)Nc1cccc2nsnc12 19096468 XRAALWNHOGQHIO-UHFFFAOYSA-N 352.341 3.761 0 40 FHAB CCN1C[C@@H](CN(C)C(=O)c2cc3c(s2)CCC3)Oc2ccccc21 7257191 BGCJBRLKXFVTAI-OAHLLOKOSA-N 356.491 3.596 0 40 FHAB Cc1ccccc1CNC(=O)COC(=O)c1ccc(Cl)cc1Cl 7398079 JABFPYLJFNHIOX-UHFFFAOYSA-N 352.217 3.775 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2-n2cncn2)c1 7683435 CKGXZBLHLNPRBL-ZDUSSCGKSA-N 356.813 3.635 0 40 FHAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 16089403 QWTHGKLASLJEMU-SECBINFHSA-N 352.681 3.523 0 40 FHAB COC(=O)c1cc(CNc2ncnc3sc(C)c(C)c23)ccc1OC 7984293 RZYLLMDKJGEFAD-UHFFFAOYSA-N 357.435 3.715 0 40 FHAB COc1cc(NC(=O)NCCc2cccc(Cl)c2)cc(OC)c1OC 9216664 KHSNLFWLBISGDW-UHFFFAOYSA-N 364.829 3.730 0 40 FHAB COc1ccc2cc(CN(C)Cn3ncc4ccccc4c3=O)ccc2c1 9691554 DTERTXLXVZEAGX-UHFFFAOYSA-N 359.429 3.648 0 40 FHAB CCc1noc(-c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)n1 64580045 AMUHMMBEFFMNAU-UHFFFAOYSA-N 353.378 3.569 0 40 FHAB Cc1ccnn1-c1ccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 9883510 GLAMZCIOKPHAKV-KRWDZBQOSA-N 371.444 3.857 0 40 FHAB CC(=O)c1cc(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)n(C)c1 89291923 YEKUMPLJDAMNGQ-UHFFFAOYSA-N 361.373 3.882 0 40 FHAB Brc1cnn(Cc2noc(-c3csc4c3CCCC4)n2)c1 546451602 LCLXXAQBDPOCMF-UHFFFAOYSA-N 365.256 3.684 0 40 FHAB COc1ccc(S[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1 30873590 QSVRMCOPMUVREH-QGZVFWFLSA-N 370.518 3.520 0 40 FHAB Cc1cccc(C(=O)O)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 217721851 LECLSSZSFQLOHV-UHFFFAOYSA-N 353.296 3.730 0 40 FHAB O=C(C[C@H](c1ccsc1)n1cccc1)Nc1ccc2nc(CO)[nH]c2c1 524735820 ZWYCKIKWZUWLQX-QGZVFWFLSA-N 366.446 3.536 0 40 FHAB C[C@]12Cc3cnc(N)nc3C[C@@H]1CC[C@@H]1[C@@H]3CC[C@@](C)(O)[C@]3(C)CC[C@H]12 33736328 NPDFNGCPXMLQER-MNGGLMACSA-N 355.526 3.767 0 40 FHAB Cc1cccc(OCC(=O)NCc2cccc(CN3CCCC3)c2)c1C 32462654 ITBQJBDBKFBRJS-UHFFFAOYSA-N 352.478 3.594 0 40 FHAB O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2Oc1ccccc1Cl 35682668 JKURKQZIPFCXLG-MRXNPFEDSA-N 360.841 3.762 0 40 FHAB CCc1onc(C)c1-c1nc(N2CCSCC2)ncc1-c1ccncc1 72342878 LHODPKIDMQONJS-UHFFFAOYSA-N 367.478 3.618 0 40 FHAB Cc1ccc(C(=O)NCc2nc(C)c(C)[nH]2)c(Sc2ccccc2)n1 1566257770 HAUZNSXFKFYRRD-UHFFFAOYSA-N 352.463 3.811 0 40 FHAB CC[C@@H](NC(=O)c1cc2ccccc2o1)c1ccc(S(C)(=O)=O)cc1 219949701 YHBDSEJXNAPGDS-MRXNPFEDSA-N 357.431 3.717 0 40 FHAB Cc1c(C(=O)NCc2ccnc(-c3ccco3)c2)cnn1-c1ccccc1 225656565 JDFZIQHTNODPSC-UHFFFAOYSA-N 358.401 3.766 0 40 FHAB COC(=O)c1cc2cc(NC(=S)NCc3cccnc3)ccc2s1 225213182 FOQFHWJLRUWTEM-UHFFFAOYSA-N 357.460 3.570 0 40 FHAB O=C(/C=C/c1cccs1)NCCc1nc(C2CC2)cc(C(F)(F)F)n1 77101129 WEYXJZPSZUFMLL-AATRIKPKSA-N 367.396 3.806 0 40 FHAB CC[C@H](NS(=O)(=O)c1cccc(C(=O)OC)c1)c1ccc(C)c(C)c1 224354144 KSGVKNOFJLMZMV-SFHVURJKSA-N 361.463 3.520 0 40 FHAB CCOc1ccccc1NC(=S)NCc1nc(-c2ccccc2C)no1 225828385 YMDUFKOIGIAFAB-UHFFFAOYSA-N 368.462 3.930 0 40 FHAB Cn1nc(CC(=O)N2CCC(c3ncccc3Cl)CC2)c2ccccc21 578737420 MDUPGWGQYOPLPN-UHFFFAOYSA-N 368.868 3.570 0 40 FHAB O=C(NC[C@H](c1ccccc1)N1CCOCC1)N1CCCC12CCCCC2 535376945 MRHMTHFHOPJONC-HXUWFJFHSA-N 371.525 3.568 0 40 FHAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(C(=O)O)cc4)OCC[C@@]31C2 257338412 YXIFNQOWAQZVLO-WBNVOKHJSA-N 371.477 3.793 0 40 FHAB O=C(O)c1ccccc1-c1ccc(CN2CCC(c3ccncn3)CC2)o1 257321277 WAYLWTGUHLLISI-UHFFFAOYSA-N 363.417 3.814 0 40 FHAB CC(C)(CNC(=O)N1CC[C@H](C(F)(F)F)[C@H](CN)C1)C1=CCCCC1 627015515 SLOLWYIATGPJRD-HIFRSBDPSA-N 361.452 3.682 0 40 FHAB CC(=O)Nc1ccc(NC(=O)NCCCOCc2ccco2)cc1Cl 43955193 NNZNCJMQIIDKJX-UHFFFAOYSA-N 365.817 3.620 0 40 FHAB C[C@@H](c1ccncc1)N1CCC(NC(=O)Cc2cc3ccccc3o2)CC1 676675914 JVMAVQZAOIHJPK-INIZCTEOSA-N 363.461 3.712 0 40 FHAB CCc1cc(C(=O)N2CC3(CCC3)OC[C@@H]2C)c2c(C(C)C)noc2n1 617941903 CBJYLGGFNIXISS-ZDUSSCGKSA-N 357.454 3.692 0 40 FHAB COCc1cc(Cl)ccc1NC(=O)N[C@@H]1CCO[C@H]1c1ccncc1 626593891 VYONYNYDEVBQPQ-SJORKVTESA-N 361.829 3.533 0 40 FHAB Cc1cc(CNC(=O)N2CCC(CCc3ccc(F)cc3F)CC2)no1 654403085 FDKWKYPGACFVHW-UHFFFAOYSA-N 363.408 3.816 0 40 FHAB O=C(O)CCC1CCN(CCC(=O)Nc2cccc3ccccc23)CC1 662217013 CIRIWRJWTAXQAZ-UHFFFAOYSA-N 354.450 3.745 0 40 FHAB CC(C)CCC(=O)N1CCC2(CC1)OCC[C@@H]2CCOCc1ccccn1 575405052 QYKJGCLSFVAHAL-IBGZPJMESA-N 374.525 3.822 0 40 FHAB CCCSCC(=O)Nc1nc(-c2ccccc2)c(CC(=O)OC)s1 54315323 MDAWNCKLUQEUGZ-UHFFFAOYSA-N 364.492 3.607 0 40 FHAB C[C@H](NC(=O)C(=O)NCc1cc(-c2ccsc2)cs1)c1ccccc1 1775969912 RKRHDBZYLXJYDS-ZDUSSCGKSA-N 370.499 3.970 0 40 FHAB CCN(CC)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 13013653 XXBUFDGHBYMMAV-QGZVFWFLSA-N 359.470 3.907 0 40 FHAB Cc1cc(S(=O)(=O)N2CCc3cc4cccc(C)c4nc32)ccc1F 15842067 PTAUKNTXROHZDJ-UHFFFAOYSA-N 356.422 3.742 0 40 FHAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)[C@@H](C)n2nccc2C)sc1C 19238315 VXGJKOACVBDQSO-CZUORRHYSA-N 374.535 3.988 0 40 FHAB Fc1ccc(CNc2ncc(-c3cnccn3)c([C@H]3CCCO3)n2)cc1 19334762 QMKUQPBBLCNWDP-QGZVFWFLSA-N 351.385 3.536 0 40 FHAB O=C(c1cccnc1)N1[C@H]2CC[C@H](C2)[C@H]1c1nc(-c2ccc(F)cc2)no1 19337291 XFXROTHJAKTXME-COXVUDFISA-N 364.380 3.637 0 40 FHAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC(c3onc4c3C[C@H](C)CC4)CC2)C1 19497169 MHGSFUAYPNOSCY-DJIMGWMZSA-N 360.498 3.711 0 40 FHAB CCc1nccn1CCC(=O)N[C@H]1[C@@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 19523653 IWQBXYMQKMVSRD-UDKICSLYSA-N 351.494 3.924 0 40 FHAB CC(C)c1nnc(NC(=O)CC2CCN(CCc3ccccc3)CC2)s1 19748755 MJCKYHDKEVYLOR-UHFFFAOYSA-N 372.538 3.945 0 40 FHAB Cn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 209940512 XMTTXROMSPLFNS-ROUUACIJSA-N 352.438 3.736 0 40 FHAB CCSc1ccccc1C(=O)NCC1CCN([C@@H]2CCSC2)CC1 225569843 RXOBMNOGAIRLKU-MRXNPFEDSA-N 364.580 3.746 0 40 FHAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3cccnc3)n2)c(F)c1 29356751 ZFSOPMJNUJCTTA-UHFFFAOYSA-N 356.382 3.555 0 40 FHAB O=C(CCCSc1nc2ccccc2[nH]1)Nc1nnc(C2CC2)s1 38149999 XETBDCJIXKFVHG-UHFFFAOYSA-N 359.480 3.803 0 40 FHAB O=C1CO[C@]2(CCCN(C3CCCCCC3)C2)CN1c1ccc(F)cc1 2037850086 SHJQAVQHIDRGBA-NRFANRHFSA-N 360.473 3.746 0 40 FHAB CCc1ccc(-n2nnc(-c3nc(-c4ccc(Cl)cc4)no3)c2N)cc1 4313523 LRMRUUBECTXHFA-UHFFFAOYSA-N 366.812 3.782 0 40 FHAB O=C(NCc1ccc(F)cc1)N1CC(n2c(C3CC3)nc3ccccc32)C1 1775970184 FWBSLNBCSQOFCS-UHFFFAOYSA-N 364.424 3.819 0 40 FHAB COc1cc(C=O)cc(Br)c1OCc1cccc(C(=O)O)c1 5661115 OCUSYUIBKQZMET-UHFFFAOYSA-N 365.179 3.547 0 40 FHAB CCOc1cc(C=O)ccc1OCCCSc1nnc(C(C)C)n1C 8731690 HUZATUPIJQJQQI-UHFFFAOYSA-N 363.483 3.711 0 40 FHAB COC(=O)c1ccc2oc(S[C@H]3CCc4ccccc4C3=O)nc2c1 12417848 VWQLOJKBEXWPIQ-INIZCTEOSA-N 353.399 3.904 0 40 FHAB O=S(=O)(Nc1c(F)cccc1F)c1ccccc1OC(F)(F)F 40039856 NANGANXJEDBOCP-UHFFFAOYSA-N 353.268 3.664 0 40 FHAB COc1cccc(CC(=O)Nc2cc(N3CCCC3=O)ccc2Cl)c1 40090707 HKEJXZDUGUUXAN-UHFFFAOYSA-N 358.825 3.657 0 40 FHAB O=C(N[C@@H]1CCc2ccccc21)c1cnn2c(-c3ccccc3)ccnc12 40089932 SVWQXPUYNHWXBI-LJQANCHMSA-N 354.413 3.814 0 40 FHAB CC(=O)N1CCc2cc(C(=O)N[C@@H]3CC(C)(C)Cc4oc(C)cc43)ccc21 40142590 MMABDSQKOJUPBL-GOSISDBHSA-N 366.461 3.941 0 40 FHAB O=C(NC[C@@H](O)c1ccc(F)c(F)c1)c1cc(Cl)sc1Cl 31298796 VZRBHIHDRVLDRW-SNVBAGLBSA-N 352.189 3.797 0 40 FHAB O=C(Nc1ccc(F)cc1)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 2639757 XANXLSLWXLNZRI-GOSISDBHSA-N 364.376 3.625 0 40 FHAB C[C@@H]1CCCN(Cc2csc(NC(=O)[C@]3(C)CC3(Cl)Cl)n2)C1 37132926 KUCSFPTUYSENCF-YGRLFVJLSA-N 362.326 3.897 0 40 FHAB CC1CCC(N(C)S(=O)(=O)c2ccc(Br)s2)CC1 37108742 UJNRRQVACHINQY-UHFFFAOYSA-N 352.319 3.710 0 40 FHAB FC(F)(F)c1ccnc(N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)n1 79859969 PDNATNGPZLBCJO-OAHLLOKOSA-N 351.328 3.830 0 40 FHAB CCC(CC)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)C[S@](=O)C2 2456783 PZFBNVLQXGGMPH-DEOSSOPVSA-N 365.886 3.663 0 40 FHAB CCc1ccc(-c2ccc(=O)n(CCC(=O)NC3CCCCCC3)n2)cc1 41253956 MAGOQQIQNKDIDZ-UHFFFAOYSA-N 367.493 3.702 0 40 FHAB O=C(OCC(=O)N1CCCc2ccccc21)c1cccc(C(F)(F)F)c1 3620093 QVGFNIYBZKBZOB-UHFFFAOYSA-N 363.335 3.842 0 40 FHAB Cc1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)nc1-c1ccc(F)cc1 2738022 XWJJYBAUSQFKSQ-ZIAGYGMSSA-N 360.410 3.863 0 40 FHAB C[C@H](Nc1cccc2c1CCCC2)C(=O)N1CCN(c2ccccc2)CC1 52773987 JVSIUNIFGUPXEE-SFHVURJKSA-N 363.505 3.715 0 40 FHAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NC(C)C)ccc2C)c1 6553306 HEKAWDOEMNVQNY-UHFFFAOYSA-N 360.479 3.551 0 40 FHAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[C@@H]1CC=CCC1 7717951 FLFCIFNUKGJNSR-CYBMUJFWSA-N 354.372 3.837 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NC(=O)C1CCCC1 7758162 SOZFANGXSFBFGY-UHFFFAOYSA-N 352.390 3.796 0 40 FHAB C[C@H]1CCc2c(sc3ncnc(-n4nnc(-c5ccc(F)cc5)n4)c23)C1 7777613 DFDGWEUFDYOZDT-JTQLQIEISA-N 366.425 3.598 0 40 FHAB CCOC(=O)C1=C(C)Nc2nc(SC)nn2[C@@H]1c1ccc(Cl)cc1 10272206 IKPNAIVSKQELDM-CYBMUJFWSA-N 364.858 3.505 0 40 FHAB CCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 10314691 CFEKTFQJXABHST-UHFFFAOYSA-N 360.479 3.634 0 40 FHAB O=C(Nc1cccnc1Oc1ccccc1)[C@H]1CC(=O)N(C2CCCC2)C1 41865371 AGTLTHAHAGWZGO-HNNXBMFYSA-N 365.433 3.604 0 40 FHAB CCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(OC)cc2)n1 8476352 UXYSRDKJPFSZNZ-UHFFFAOYSA-N 370.840 3.736 0 40 FHAB CC(C)(C)OC(=O)N1C[C@H](C(=O)O)[C@H](c2ccc(C(F)(F)F)cc2)C1 8556856 QCXSJRUEERTHEK-STQMWFEESA-N 359.344 3.741 0 40 FHAB Cc1ccc(/C=C/C(=O)NCc2cccnc2-n2cccn2)cc1Cl 42055736 LTPGPJNXVULHDC-BQYQJAHWSA-N 352.825 3.559 0 40 FHAB O=C(Cn1c(=O)cnc2ccccc21)OCc1ccc(-c2ccccc2)cc1 22878076 GNAZIAUFBBZUSJ-UHFFFAOYSA-N 370.408 3.807 0 40 FHAB c1ccc(CN2CCO[C@@H](CNc3ncnc4c3oc3ccccc34)C2)cc1 23381245 CCTSTMTUFUHVOI-KRWDZBQOSA-N 374.444 3.689 0 40 FHAB CN(Cc1nc2ccccc2s1)Cn1nc2n(c1=S)CCCCC2 23850738 ITXDHLJGOUATCM-UHFFFAOYSA-N 359.524 3.840 0 40 FHAB Cc1noc(C)c1CN1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 42743130 IJYGRKSVZMRRQI-UHFFFAOYSA-N 363.845 3.501 0 40 FHAB COc1ccccc1Oc1ccc(NC(=O)CN2CCCCCC2=O)cc1 24029509 PQACWTOHZMZYFO-UHFFFAOYSA-N 368.433 3.829 0 40 FHAB CCn1cc(C(=O)Nc2cc(F)ccc2C)c(=O)c2cc(OC)ccc21 22236104 QIWOYVXINGFSNG-UHFFFAOYSA-N 354.381 3.730 0 40 FHAB COCC(=O)Nc1ccc(NC(=O)Cc2c(C)[nH]c3ccc(C)cc23)cc1 24877731 NIOGFDBKDBQTRP-UHFFFAOYSA-N 365.433 3.551 0 40 FHAB Cc1ccc(C(=O)c2ccccc2C(=O)NC[C@@H]2CCCOC2)cc1C 55924131 ZUOUWELLGJSTOL-KRWDZBQOSA-N 351.446 3.691 0 40 FHAB C[C@@H](NC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 107333757 YXDBWHNYDKBNOK-QIJLZVCCSA-N 370.493 3.821 0 40 FHAB O=C1OCC[C@@H]1NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 57293269 IYPVYUWXWJFWSS-BEFAXECRSA-N 354.837 3.858 0 40 FHAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 100179122 AHRHOXMJGPWESI-RLUOWVSXSA-N 367.754 3.916 0 40 FHAB O=C(CN(Cc1ccco1)C(=O)c1ccccc1F)Nc1ccccc1 12679423 BVORZJSOQMPHBI-UHFFFAOYSA-N 352.365 3.700 0 40 FHAB CC(C)CC[C@H](C(=O)O)[C@@H](C)CC(=O)Nc1ccn(-c2ccccc2)n1 2062085 VHLWRSHMNSBDCC-RDJZCZTQSA-N 357.454 3.974 0 40 FHAB CN1C(=O)c2ccc(C(=O)N(C3CC3)[C@H]3CCCc4ccccc43)cc2C1=O 58229355 NKHRVJOIIHXWIZ-FQEVSTJZSA-N 374.440 3.595 0 40 FHAB COc1ccc(C(=O)[C@H](C)Sc2nnc(SC)s2)cc1OC 58266253 XSNLGJWAZNDPNW-QMMMGPOBSA-N 356.494 3.641 0 40 FHAB Cc1nn(CC(=O)N[C@H](C)c2ccc(-n3cccc3)cc2)c(C)c1Cl 28229338 CWDRJAAKUOTSBD-CYBMUJFWSA-N 356.857 3.821 0 40 FHAB CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cccnc1S 58405654 UBKSWSIIVZPZMD-UHFFFAOYSA-N 370.453 3.604 0 40 FHAB CCSc1nc2nc3c(cc2c(=O)n1Cc1ccccc1)CCCC3 2275007 YHAYKVRMNOXTMQ-UHFFFAOYSA-N 351.475 3.831 0 40 FHAB Cc1cc(Br)ccc1N(Cc1ccccc1)S(C)(=O)=O 36393539 KZTMKOJZWMARBM-UHFFFAOYSA-N 354.269 3.724 0 40 FHAB COc1ccc2c(CN(C)CCOc3ccccc3C)cc(=O)oc2c1 12774411 OLLQLXACIOCZLC-UHFFFAOYSA-N 353.418 3.621 0 40 FHAB CC(C)(C)c1ccc(O)c(NC(=O)Cc2ccc(N3CCCC3=O)cc2)c1 12755225 ZZWLONOMILVKSC-UHFFFAOYSA-N 366.461 3.998 0 40 FHAB O=C1O[C@@H](C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)Cc2ccccc21 11075899 GMOMUDWNCUMGEV-OAQYLSRUSA-N 372.424 3.565 0 40 FHAB CCOC(=O)/C=C/c1ccc(NC(=O)CSCc2c(C)noc2C)cc1 28732233 VQQOKCQSJQIUMX-JXMROGBWSA-N 374.462 3.740 0 40 FHAB CN1CCN(c2nc(-c3cccs3)nc3sc4c(c23)CCC4)CC1 12853184 XJLPHIXOPVJPAH-UHFFFAOYSA-N 356.520 3.660 0 40 FHAB C[C@H]1CN(c2ccc(NC(=O)CCc3ccccc3O)cc2F)C[C@H](C)O1 46069381 TXUGEFHHJNIQBP-GJZGRUSLSA-N 372.440 3.716 0 40 FHAB Cc1cc(NC(=O)COC(=O)c2ccccc2Nc2ccc(F)cc2)no1 3494810 WZIHUHHQKFCMCS-UHFFFAOYSA-N 369.352 3.661 0 40 FHAB COC(=O)Cc1ccc(OCc2nc(-c3cccc(Cl)c3)no2)cc1 8222717 INRAGXQBSZIDHI-UHFFFAOYSA-N 358.781 3.685 0 40 FHAB COc1cc([C@@H](C)NCc2cnc(N3CCCC3)nc2)ccc1OC(C)C 48710140 JUXPBHJTMLTEQC-MRXNPFEDSA-N 370.497 3.723 0 40 FHAB Cc1cc(C)c2nc(NC(=O)CCS(=O)(=O)c3ccccc3)sc2c1 4325489 PXLQPMDWIALTEA-UHFFFAOYSA-N 374.487 3.716 0 40 FHAB CC(=O)N1[C@@H](C(=O)NCc2ccc(C)cc2)CS[C@@H]1c1ccc(C)cc1 4699335 UBTWNHHBEBKBTA-TZIWHRDSSA-N 368.502 3.582 0 40 FHAB O=C(CSc1nncs1)N[C@H](c1ccc(F)cc1)c1cccs1 8505413 OJVSHADHJSXAEB-CQSZACIVSA-N 365.480 3.737 0 40 FHAB Cc1ccccc1C(=O)N1CCC(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)CC1 8935824 UCEOHTCNFKWNQQ-UYAOXDASSA-N 368.521 3.886 0 40 FHAB Cc1cc(C)c2c(n1)sc1c(=O)n(CCOc3ccccc3)cnc12 7256038 YLJLGZRIULPHEB-UHFFFAOYSA-N 351.431 3.702 0 40 FHAB O=C(CCCc1nc(-c2cccnc2)no1)Nc1ccc(F)c(Cl)c1 15669645 VFBLWAVAUQLOJH-UHFFFAOYSA-N 360.776 3.886 0 40 FHAB COc1cccc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)c1F 90462692 JKANZRXHZAHIPH-UHFFFAOYSA-N 351.381 3.761 0 40 FHAB Cc1cnc(NC(=O)COc2ccc(C3SCCS3)cc2)s1 19624332 JZYBFQIOEVGXOY-UHFFFAOYSA-N 352.506 3.948 0 40 FHAB CCC(CC)C(=O)Nc1nc(-c2ccc3c(c2)N(CC)C(=O)CO3)cs1 19796473 ROHBTIZUARLHFO-UHFFFAOYSA-N 373.478 3.930 0 40 FHAB O=C(Cn1cnc2sc3c(c2c1=O)CCCCC3)c1ccc(F)cc1 19796975 UJPYIOFMJHOOIO-UHFFFAOYSA-N 356.422 3.749 0 40 FHAB O=C1CCCc2[nH]c(=O)c(C(=O)OCc3ccc(-c4ccccc4)cc3)cc21 72007570 HXRNSSCGKHZHFQ-UHFFFAOYSA-N 373.408 3.918 0 40 FHAB O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CC[C@@H]2OCCC[C@H]2C1 97019296 UBMUZPOCKOVNOM-UWJYYQICSA-N 361.445 3.667 0 40 FHAB Cn1ccnc1C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2F)cc1 95347423 YXCOMHZZHYXUPC-IRXDYDNUSA-N 363.392 3.532 0 40 FHAB C[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)OC(=O)c1ccco1 95431876 DLQGNPAHKXYSSF-PBHICJAKSA-N 359.422 3.961 0 40 FHAB Cc1cnc(C(C)(C)NC(=O)Nc2cnn(-c3ccccc3F)c2)s1 88419342 LIXDRPOUYCXKKY-UHFFFAOYSA-N 359.430 3.833 0 40 FHAB Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1C(C)C 409106348 RKZYWGWBQSLJKW-OVCLIPMQSA-N 364.467 3.674 0 40 FHAB CCc1noc(-c2ccc(OCC(=O)Nc3ccc(C(C)=O)cc3)cc2)n1 33012647 RGVTYGCCGVTJTG-UHFFFAOYSA-N 365.389 3.519 0 40 FHAB Cc1noc(C)c1CC(=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 21493071 UHBOIBQQRMXHOF-UHFFFAOYSA-N 361.397 3.831 0 40 FHAB CCc1c(C(=O)NCc2nc(C)cs2)cnn1-c1cccc(Cl)c1 24683658 NBPNVFJOLNYPQU-UHFFFAOYSA-N 360.870 3.783 0 40 FHAB CCc1ccc(N[C@H]2NC(=O)/C(=C\c3cccc(OC)c3O)S2)cc1 408774696 XRESNCGVKKGZCQ-SKTWIKFTSA-N 356.447 3.563 0 40 FHAB C[C@@H]1CCC2=NN(C(=O)CCCc3ccccc3)[C@](O)(C(F)(F)F)[C@@H]2C1 409056810 OCBAPACYDQHWTD-DDUZABMNSA-N 368.399 3.895 0 40 FHAB COc1ccccc1-c1ncc(CN2CCC(c3c[nH]nc3C)CC2)cn1 514704891 SYDWMLNUNNODIR-UHFFFAOYSA-N 363.465 3.563 0 40 FHAB O=C(Cc1csc(COc2ccccc2)n1)N1CCc2ccccc21 33326226 UVYPKBHYLVQGTR-UHFFFAOYSA-N 350.443 3.854 0 40 FHAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@@H](C)COc1ccccc1C 219564100 RVPXAGUBOLHVED-DLBZAZTESA-N 357.450 3.745 0 40 FHAB O=C(NCCc1ccc2c(c1)OCCO2)c1csc(-c2cccs2)n1 32744482 LNYXGBZBISDSOM-UHFFFAOYSA-N 372.471 3.615 0 40 FHAB O=C(O)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218474666 OIQJDMWYERKYRS-ILXRZTDVSA-N 371.241 3.634 0 40 FHAB CCc1ccc(NC(=S)NCc2cccc(N3CCCC3=O)c2)cc1 44077810 MNRZEXOBNAMTDW-UHFFFAOYSA-N 353.491 3.862 0 40 FHAB Cc1cccc(OCC(=O)Nc2nnc(SCC(C)C)s2)c1C 223085773 APPSXYAJQHTFOO-UHFFFAOYSA-N 351.497 3.921 0 40 FHAB Cc1cc(N)c(N2CCOCC2)cc1NC(=O)c1cccc2ccccc12 226264072 ZYYDVBPFWWEANQ-UHFFFAOYSA-N 361.445 3.819 0 40 FHAB COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1ccc(C)c(C)c1 224287005 BQVPTFWODXCSEE-FQEVSTJZSA-N 369.461 3.800 0 40 FHAB COc1ccc(-c2nnc([C@H]3CCN(C(=O)C4CCCCC4)C3)o2)cc1 49170903 BMLAWASGKPUCCP-INIZCTEOSA-N 355.438 3.641 0 40 FHAB biogenic,in-vitro COc1ccc(-c2cnn(CCCC(=O)Nc3ccc(C)cn3)c2)cc1 227166579 SAXFCXQJASJBBV-UHFFFAOYSA-N 350.422 3.681 0 40 FHAB CCOc1cc(CNC(=S)Nc2ccc(F)cc2F)ccc1OC 225770642 CHGBMJQXICCWNI-UHFFFAOYSA-N 352.406 3.859 0 40 FHAB C[C@H]1Cc2cc(Br)ccc2N1C(=O)c1ccc2c(c1)ncn2C 225890964 XNMYFFWDLZHYEB-NSHDSACASA-N 370.250 3.927 0 40 FHAB COc1ccc(CN(C)C(=O)c2sc(-c3cccnc3)nc2C)cc1 225858839 PLYZCRAGBIRAMR-UHFFFAOYSA-N 353.447 3.794 0 40 FHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 225007734 CLSDNCYBGVGXRJ-LJQANCHMSA-N 374.868 3.973 0 40 FHAB C[C@@H](Oc1ccccc1Cl)C(=O)NCC1(c2ccccc2)CCOCC1 225862574 MWQVNTGBSWTNHI-MRXNPFEDSA-N 373.880 3.972 0 40 FHAB Cc1ccnc(NC(=S)NCCNc2cc(C)nc3ccccc23)c1 225227477 RZQZYPVLNUSKOF-UHFFFAOYSA-N 351.479 3.645 0 40 FHAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1 225838495 ACBCVXYUVDDUPO-IBGZPJMESA-N 351.443 3.794 0 40 FHAB COC(=O)c1cccc(NC(=S)NC2(c3cccnc3)CCCC2)c1 225862852 KXHSDKDXPUZHKT-UHFFFAOYSA-N 355.463 3.624 0 40 FHAB COCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cn1 225860406 WUFQRVYOKCQMFV-UHFFFAOYSA-N 354.450 3.866 0 40 FHAB CCN(c1ccccc1Br)S(=O)(=O)c1ccc(OC)cc1 224854767 SEZXSRGNRKRJLE-UHFFFAOYSA-N 370.268 3.673 0 40 FHAB Cn1cc([C@@H]2SCC(O)=Nc3ncn(-c4ccc(Cl)cc4)c32)cn1 95480162 UWOBXHHQJNEYLK-HNNXBMFYSA-N 359.842 3.683 0 40 FHAB O=C(NC1CCN(c2cc(-c3cccs3)n[nH]2)CC1)c1cccc(F)c1 98212810 GVTBBGRHEMUXDU-UHFFFAOYSA-N 370.453 3.676 0 40 FHAB CNC(=O)C[C@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21 96053244 DXDZQGHSMMBQNE-INIZCTEOSA-N 370.518 3.785 0 40 FHAB Cc1ccc(Nc2nc([C@@H]3CCCN3Cc3cncn3C)cs2)nc1 257254687 KEGJQEVGLZETJP-INIZCTEOSA-N 354.483 3.661 0 40 FHAB CN1CCCC[C@@H]2N(C(=O)c3cc(-c4ccccc4F)n[nH]3)CCC[C@@]21C 257217866 DAXWULTZTBKTNQ-FPOVZHCZSA-N 370.472 3.695 0 40 FHAB Cc1ncc(CN2CCO[C@@H](c3ccc(Nc4ccccn4)cn3)C2)s1 257210808 BWHSVDWBVHMGSX-GOSISDBHSA-N 367.478 3.559 0 40 FHAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)o1)Nc1ccc2c(c1)OCO2 1775967107 FURKIVMBIMJAHE-GFCCVEGCSA-N 372.402 3.592 0 40 FHAB CO[C@@H](CNC(=O)CCc1ccccc1Br)c1ccsc1 96120638 HJSHDRGPQLEZQZ-HNNXBMFYSA-N 368.296 3.947 0 40 FHAB COC(=O)c1sccc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1 14249049 QQLNGXDYNNXIEI-UHFFFAOYSA-N 366.247 3.642 0 40 FHAB Cc1cc2oc(C(=O)Nc3ccc(-n4cnnn4)cc3)c(C)c2cc1Cl 15835157 FGMWBDKTAFKXNL-UHFFFAOYSA-N 367.796 3.931 0 40 FHAB Cc1ccc(-c2noc([C@@H]3CCN3C(=O)CCc3c(C)noc3C)n2)s1 19217523 QZINQIOXNATPDK-AWEZNQCLSA-N 372.450 3.618 0 40 FHAB Cc1cccc2cnc(C3CCN(Cc4cnc(N(C)C)nc4)CC3)cc12 19236697 XXNNVCPVRMUCCE-UHFFFAOYSA-N 361.493 3.779 0 40 FHAB C[C@H]1CCCCN1[C@@H](C(=O)N[C@H](C)Cc1ccccn1)c1ccccc1 19496321 SUAITDBMAAHHOH-LVCYWYKZSA-N 351.494 3.745 0 40 FHAB C[C@@H]1Cc2cc([C@@H](O)CN(C)Cc3ccccc3)ccc2N1C(=O)C1CC1 19497832 DJGIJPOUZSNHIL-ZHRRBRCNSA-N 364.489 3.540 0 40 FHAB Cc1nn(C[C@H](C)C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)c(C)c1C 19576831 CZQSOEZSZBWBAS-LBPRGKRZSA-N 352.482 3.859 0 40 FHAB CCOc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CN)CC1 257330921 XQPLZJZQYOWTNX-CBGDNZLLSA-N 367.493 3.717 0 40 FHAB Cc1noc2nc(C3CC3)cc(C(=O)O[C@@H](C)C(=O)c3ccccc3)c12 32869354 OOIJSJMBCWLTCW-LBPRGKRZSA-N 350.374 3.837 0 40 FHAB CCOc1ccc(N2C[C@@](O)(c3ccccc3)[N+]3=C2CCCCC3)cc1 2974602 WWSIZDRAMBUFEP-JOCHJYFZSA-N 351.470 3.736 0 40 FHAB CCOc1ccc(-c2ccc(SCC(=O)NCc3ccco3)nn2)cc1 4496089 AAFLFPZAJNMJQO-UHFFFAOYSA-N 369.446 3.544 0 40 FHAB COc1ccc(-c2cnc(SCC(=O)NCc3ccc(C)cc3)[nH]2)cc1 8770236 ZFEMQYPHJQCOFW-UHFFFAOYSA-N 367.474 3.802 0 40 FHAB CC(=O)c1cc(C(=O)OCC(=O)Nc2ccccc2Cl)c2ccccn12 10272905 XYZQXLRBWJLMMT-UHFFFAOYSA-N 370.792 3.591 0 40 FHAB Nc1nc2c(s1)[C@H](c1ccc(OCc3cccc(F)c3)cc1)CC(=O)N2 12428767 HFVYGGHXDTVNHS-HNNXBMFYSA-N 369.421 3.918 0 40 FHAB COc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3[nH]2)c1 15084674 ANVFDGPZJKNQHI-HNNXBMFYSA-N 373.416 3.540 0 40 FHAB Cc1ccccc1-c1noc(CSc2nc3ccsc3c(=O)n2C)n1 16845773 SCZUWPXNDZRDFQ-UHFFFAOYSA-N 370.459 3.646 0 40 FHAB COc1ccc(C2(CNC(=O)c3ccc(OC)c(OC)c3)CCCC2)cc1 21691294 YXBYZXFDSGQJJA-UHFFFAOYSA-N 369.461 3.954 0 40 FHAB CCOc1ccccc1S(=O)(=O)NCc1ccc(-c2ccoc2)cc1 390831606 SURBTBNVKNXGDZ-UHFFFAOYSA-N 357.431 3.824 0 40 FHAB O=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1ccc(Cl)s1 70636113 NBKMGBYULLXNEL-AWEZNQCLSA-N 367.879 3.567 0 40 FHAB Cc1cc([C@H](C)NC(=O)[C@@H](C)NC(=O)OCc2ccccc2)c(C)s1 40080908 FCKLRINQIZEZFT-UONOGXRCSA-N 360.479 3.857 0 40 FHAB CCCCc1nnc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)s1 40158607 AKWRWNNBEPEECV-INIZCTEOSA-N 358.511 3.731 0 40 FHAB Cc1cccc(OCCNC(=O)N2CCC(N(C)c3ccccc3)CC2)c1 40158484 CKWPHLNYRBTXQT-UHFFFAOYSA-N 367.493 3.684 0 40 FHAB Cc1oc(-c2cccs2)nc1CN1CCC[C@H]1C(=O)NCc1ccco1 31558025 FTNWPHLVIBZDAW-INIZCTEOSA-N 371.462 3.585 0 40 FHAB CCOc1ccccc1NC(=O)[C@H](C)Nc1ccc2c(c1)OCCCO2 32797262 JEGCJMLRJKRJCF-AWEZNQCLSA-N 356.422 3.686 0 40 FHAB Cc1cc(NC(=O)COC(=O)c2ccc(-c3ccc(Cl)cc3)o2)no1 21495621 UFFIRKFKXSVLLG-UHFFFAOYSA-N 360.753 3.692 0 40 FHAB C[C@H](CC(=O)Nc1nc(-c2ccccc2)cs1)NC(=O)c1ccccc1 21448086 GCDFXLLMWLPLLO-CQSZACIVSA-N 365.458 3.957 0 40 FHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(OC)cc1 976256 CBVQLFRFSZOZJB-UHFFFAOYSA-N 367.474 3.872 0 40 FHAB C[C@H](Sc1nc(Cc2cccs2)n[nH]1)c1nc(-c2ccco2)no1 32809270 UDAZVLJKYZNGJY-VIFPVBQESA-N 359.436 3.953 0 40 FHAB Clc1ccc(-c2c(C3=NCCCN3)nnn2-c2ccc(Cl)cc2)cc1 1629421 RSYAYAMTPOORGY-UHFFFAOYSA-N 372.259 3.981 0 40 FHAB CN(C)C(=S)SCNc1ccc(NCSC(=S)N(C)C)cc1 1669449 GFJCAJYLFKHGOP-UHFFFAOYSA-N 374.626 3.585 0 40 FHAB CCN1CCC[C@H](SC(=O)C(O)(c2ccccc2)c2ccccc2)C1 1710820 ZFXCYBWAFFMYAB-IBGZPJMESA-N 355.503 3.667 0 40 FHAB CNC(=S)NNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 3205784 HVQODOPRZOMMRT-UHFFFAOYSA-N 371.402 3.890 0 40 FHAB CCOc1ccccc1NC(=O)C[C@@H](NC(C)=O)c1ccccc1Cl 32937427 GFEQPVVRFUOAJE-QGZVFWFLSA-N 360.841 3.945 0 40 FHAB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)Nc1ccc(Oc2cccc(C)c2)cc1 32995945 NCYFNDZHNQIQNN-RDTXWAMCSA-N 355.438 3.809 0 40 FHAB CC(C)Oc1ccc(N2C[C@H](C(=O)Nc3cccc(F)c3)CC2=O)cc1 4898415 QXWOYMKLXRLBFZ-CQSZACIVSA-N 356.397 3.605 0 40 FHAB O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)NC1CCCCCC1 6087190 FUQSKZIOQOOYCI-UHFFFAOYSA-N 368.264 3.542 0 40 FHAB CCN(CC)c1ccc(NC(=S)NC(=O)c2cccc(OC)c2)c(C)c1 6629954 ZWXVVXZDYPYHRU-UHFFFAOYSA-N 371.506 3.977 0 40 FHAB CCOc1cc(CNCc2ccncc2)cc(Br)c1OCC 6870227 WWVBWIYNMUGVAP-UHFFFAOYSA-N 365.271 3.931 0 40 FHAB CC(C)(C)OC(=O)N1CCC(NC(=O)N(Cc2ccccc2)C2CC2)CC1 46901288 YVTHZWHZCQNEQZ-UHFFFAOYSA-N 373.497 3.760 0 40 FHAB O=C(N[C@H](c1ccc2c(c1)CCCC2)c1cccs1)c1ccc[n+]([O-])c1 8394963 GTTUUYPZIDSBCM-HXUWFJFHSA-N 364.470 3.780 0 40 FHAB COc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)c(OC)c1 723656 GENYKCCDQVGCMV-UHFFFAOYSA-N 351.786 3.627 0 40 FHAB C[C@H](NC[C@@H](c1ccco1)N1CCCCC1)C(=O)Nc1ccc(F)cc1 22804443 RTUNJAOKVMRPCL-YJBOKZPZSA-N 359.445 3.563 0 40 FHAB Cn1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1=O 23053855 XKCZURNHYGNOKY-UHFFFAOYSA-N 361.426 3.914 0 40 FHAB O=C(CN1CC(=O)Oc2ccccc21)Nc1ccccc1-c1ccccc1 938289 NBOZQKPLEPERPG-UHFFFAOYSA-N 358.397 3.718 0 40 FHAB Cc1sc2ncnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)c2c1C 9377736 FBTJTINWAIRHMC-CYBMUJFWSA-N 360.527 3.685 0 40 FHAB CC(C)(C)OC(=O)NC1CCN(C(=O)CCCc2cccs2)CC1 47533325 XPBVDORDHAACJK-UHFFFAOYSA-N 352.500 3.587 0 40 FHAB COc1cccc(C(=O)n2nc3c4c(cccc42)C(=O)c2ccccc2-3)c1 3197440 XXVXPOQGXONKHM-UHFFFAOYSA-N 354.365 3.945 0 40 FHAB CCCC[C@H]1[C@@H]2C(=O)N(c3ccccc3C)C(=O)[C@H]2ON1c1ccccc1 101038471 SXZFTHLDQXMSFV-UFYCRDLUSA-N 364.445 3.864 0 40 FHAB Cc1ccccc1-n1c(SCc2ccccc2)nnc1N1CCOCC1 12533920 DFAZGZQXWSRIOO-UHFFFAOYSA-N 366.490 3.705 0 40 FHAB O=c1[nH]c(Cc2ccc(-n3cccn3)cc2)nc2sc3c(c12)CCCC3 55491485 JZYUQKJPPQXVMT-UHFFFAOYSA-N 362.458 3.640 0 40 FHAB O=C(Nc1cccc(F)c1)c1cccc(C(=O)Nc2cccc(F)c2)n1 1508504 PJXKKNYPMKVJIA-UHFFFAOYSA-N 353.328 3.864 0 40 FHAB Cc1ccc(-c2cc(C(=O)OC[C@@H]3CCCO3)c3c(C)noc3n2)s1 43896612 KZHXVCCCQAGVMJ-LBPRGKRZSA-N 358.419 3.904 0 40 FHAB COCc1ccccc1CNC(=O)N1CCC(Cc2ccccc2)CC1 26390999 LERROYLENMWFMJ-UHFFFAOYSA-N 352.478 3.997 0 40 FHAB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCCC1 21898503 VLTPPDUAOPINEI-HNNXBMFYSA-N 357.281 3.760 0 40 FHAB O=C(CNc1cccc(F)c1)N1N=C(c2ccco2)C[C@H]1c1ccco1 57523794 KQSCVDQNPBTGRY-INIZCTEOSA-N 353.353 3.802 0 40 FHAB CSc1nnc(SCC(=O)N(C)[C@@H]2CCCc3ccccc32)s1 48235967 WDNPENFCCQMYJX-CYBMUJFWSA-N 365.549 3.888 0 40 FHAB CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2C)cc1Cl 22515557 IEBSUMCGMVYKFA-UHFFFAOYSA-N 367.854 3.767 0 40 FHAB CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1c(C)cccc1C 3326772 VEHZVBHPGZKIEB-UHFFFAOYSA-N 371.506 3.534 0 40 FHAB COc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 27662155 DRAJCGNKIAXGLC-GOSISDBHSA-N 358.869 3.916 0 40 FHAB COc1ccc(OC)c(CNC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c1 27503595 QGDNHTHYOKFDQP-UHFFFAOYSA-N 371.824 3.677 0 40 FHAB O=C(Cc1ccc(OC(F)(F)F)cc1)N1CCC[C@H]1c1ccncc1 48325851 NBRUETFWTQECLJ-INIZCTEOSA-N 350.340 3.886 0 40 FHAB O=C(Nc1ncc2c(n1)C[C@H](c1ccco1)CC2=O)c1ccc(Cl)cc1 2393254 XKXHFVMQJWWIPG-LBPRGKRZSA-N 367.792 3.888 0 40 FHAB CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)Nc1ccc2c(c1)CCC2 12806449 UFGWSVPSFGNJKA-FQEVSTJZSA-N 365.477 3.638 0 40 FHAB Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1nnc(C(F)(F)F)[nH]1 45571292 ZORCSNVZESKLJH-UHFFFAOYSA-N 355.707 3.586 0 40 FHAB Nc1nc2n(n1)[C@H](c1ccccc1)C[C@H](c1ccc(Br)cc1)N2 2472047 JXALDTRWDJNKEN-CABCVRRESA-N 370.254 3.769 0 40 FHAB O=C(CSc1nnnn1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 3493197 IAOZKRMQQWVQAC-UHFFFAOYSA-N 365.245 3.944 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)CN(C)CC(=O)Nc1ccccc1Cl 3420432 RRAAVFYVRVJDHX-UHFFFAOYSA-N 369.852 3.883 0 40 FHAB Cn1ccnc1[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1cccc(F)c1 18236511 LSIPXSBMMYSELI-HXUWFJFHSA-N 363.436 3.957 0 40 FHAB O=C1CN(C(=O)Cc2ccc(Cl)cc2)c2ccc(C(F)(F)F)cc2N1 39976653 ZKYJPQIIVKYDFQ-UHFFFAOYSA-N 368.742 3.887 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)CCSc3ccccc3F)ccc21 14141369 UVPXBARNRMEVEK-UHFFFAOYSA-N 358.438 3.856 0 40 FHAB COCc1ccc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc1 14141723 HBLBQPBHGXFPPQ-CQSZACIVSA-N 359.495 3.774 0 40 FHAB COc1ccccc1-c1ccnc2nc(N3CCc4ccccc43)[nH]c(=O)c12 22606826 GAQZOXGGFHJLKF-UHFFFAOYSA-N 370.412 3.688 0 40 FHAB Cn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1cccnc1 6581885 FCFWXQRRCAFZPZ-UHFFFAOYSA-N 350.856 3.567 0 40 FHAB COC(=O)c1ccccc1NC(=O)c1nc(SC(C)C)ncc1Cl 8916195 OQWOCJMPCASWJO-UHFFFAOYSA-N 365.842 3.669 0 40 FHAB O=C(COC(=O)Cc1ccccc1F)Nc1c(Cl)cccc1Cl 6887269 CSOGVFPASAOOTL-UHFFFAOYSA-N 356.180 3.857 0 40 FHAB CSc1nc(C)c(CCC(=O)NCCCOC2CCCCC2)c(C)n1 6989347 WRHNCRKRDZGUGB-UHFFFAOYSA-N 365.543 3.604 0 40 FHAB C[C@@H](OC(=O)c1csc2c1CCCC2)c1nc2ccccc2c(=O)[nH]1 5901244 UWSMSZGKYAJIDN-LLVKDONJSA-N 354.431 3.781 0 40 FHAB C[C@H]1CCCC[C@@]12NC(=O)N(Cc1csc(-c3cccs3)n1)C2=O 9366075 XBTMPIDIWIDENC-APPDUMDISA-N 361.492 3.872 0 40 FHAB C[C@@H](Nc1ncnc2sc3c(c12)CCCC3)[C@@H](O)c1ccc(O)cc1 7982123 IUBNEIJNKCVNQT-PIGZYNQJSA-N 355.463 3.810 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1ccccc1Cl 7952127 VCPLCPKYDFBYBR-LJQANCHMSA-N 354.837 3.920 0 40 FHAB CCN(CC)c1ccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 16598794 BBTGZNJLVGSEOK-GOSISDBHSA-N 369.490 3.974 0 40 FHAB CS(=O)(=O)c1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 8076227 ZDNQRCRRPBUDBI-UHFFFAOYSA-N 365.454 3.938 0 40 FHAB CC[C@@H]1c2ccsc2CCN1C(=O)CNC(=O)c1ccc(Cl)cc1 16778402 LEFLDCKPMZLEQG-OAHLLOKOSA-N 362.882 3.667 0 40 FHAB Cc1c[nH]c(=O)n1-c1ccc(C(=O)O[C@H](C)c2c(F)cccc2F)cc1 84068172 SXTCNAJPLTWDMX-GFCCVEGCSA-N 358.344 3.670 0 40 FHAB CC[C@@H](Oc1cccc(C)c1)C(=O)N(C)Cc1nc(-c2cccs2)no1 95482363 NOCGUNSJTZPUPM-OAHLLOKOSA-N 371.462 3.923 0 40 FHAB CCCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 20492958 DWZSXJQCXFZPTP-UHFFFAOYSA-N 366.870 3.671 0 40 FHAB Nc1c(I)cc(Br)cc1C(F)(F)F 307461493 IVVUTYZOUIWBDC-UHFFFAOYSA-N 365.918 3.655 0 40 FHAB CCOc1c(C)cc(S(=O)(=O)N[C@@H](C)Cc2cccs2)cc1C 38566037 WUAUKDHTLUGQMJ-AWEZNQCLSA-N 353.509 3.673 0 40 FHAB COc1ccc2cc(C(=O)N[C@H]3CCc4cc(OC)c(OC)cc43)[nH]c2c1 524732696 KMGPYVQUUKYBIQ-INIZCTEOSA-N 366.417 3.611 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2Cl)cc1 72211535 LDYNVZMSGFMQPX-MRXNPFEDSA-N 350.871 3.959 0 40 FHAB O=C(COC(=O)c1ccc(Cl)cc1Cl)NCc1ccc(F)cc1F 72333810 ITWFEQJFNTUSQL-UHFFFAOYSA-N 374.170 3.745 0 40 FHAB COC(=O)c1ccc([C@H]2CC(O)=Nc3c2cnn3Cc2cccs2)cc1 72404071 BQRMWQVLGIYEMT-OAHLLOKOSA-N 367.430 3.903 0 40 FHAB COc1ccc(CC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1C 224536602 BILTYIYWBCCYFO-UHFFFAOYSA-N 366.505 3.848 0 40 FHAB CCCCc1ccc(NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 224488376 VICWUFMWVZGUSG-IBGZPJMESA-N 374.506 3.600 0 40 FHAB C[C@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)N[C@H]1CCCC[C@@H]1C 227137449 FGXOEPBVVWLKSN-OBJOEFQTSA-N 369.494 3.682 0 40 FHAB CC(C)c1ccccc1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 40639999 NHAQEKUPIKPKAC-UHFFFAOYSA-N 372.490 3.992 0 40 FHAB COc1cc(C(=O)NCc2ccc3ccccc3c2)cc(OC)c1OC 45201229 XVLGNEDEYZPNLL-UHFFFAOYSA-N 351.402 3.796 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2snnc2-c2ccc(C)cc2)cc1 225775068 LXSUTWBTYDCOGF-UHFFFAOYSA-N 367.430 3.943 0 40 FHAB CCCO[C@@]1(C(=O)Nc2ccc(OCCOCC)nc2)CCC[C@H](C)C1 225910873 TURRBXOPBKGZSF-JXFKEZNVSA-N 364.486 3.811 0 40 FHAB CC(C)(C)NC(=O)CCc1ncc(-c2ccc(Br)cc2)o1 224874184 FKKYVXNXFTZTBR-UHFFFAOYSA-N 351.244 3.951 0 40 FHAB CCOC(=O)Cc1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 222974886 WIKRHVZXMOKNBZ-UHFFFAOYSA-N 361.463 3.518 0 40 FHAB COc1cccc(OCCNC(=O)CSCc2ccc(Cl)cc2)c1 223406675 SJKOUBSSPDBZEQ-UHFFFAOYSA-N 365.882 3.777 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCC1(c2ccccc2)CCOCC1 222937433 OLSKZWFIVDCWBY-HXUWFJFHSA-N 371.452 3.848 0 40 FHAB COc1cc2c(cc1S(=O)(=O)N[C@H](C)c1ccc(F)cc1)CCCC2 225862137 QELDUXZPMBFZCF-CYBMUJFWSA-N 363.454 3.753 0 40 FHAB COc1cc2c(cc1S(=O)(=O)NCCCc1ccc(C)cc1)CCCC2 225883538 ONZBQOBENNJSLZ-UHFFFAOYSA-N 373.518 3.794 0 40 FHAB S=C(NCc1ccccc1)Nc1ccc(Sc2ncccn2)nc1 223923924 WPOXXBDWYAFACO-UHFFFAOYSA-N 353.476 3.509 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 223104921 SDGLPANEOLGUGQ-LJQANCHMSA-N 372.896 3.744 0 40 FHAB CCc1ccc(NC(=O)[C@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220498484 DVEPKKUAGBRMQP-IBGZPJMESA-N 374.506 3.741 0 40 FHAB O=C(NCc1ccnc(-c2cccs2)c1)c1cc(=O)c2ccccc2o1 225650614 BGYOKQJBELSWNS-UHFFFAOYSA-N 362.410 3.847 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)cc1 224776566 YHSBMRUOGGDZNM-SFHVURJKSA-N 353.462 3.627 0 40 FHAB COc1ccc(CNC(=O)CC2(n3cccc3)CCCCC2)cc1OC 95478317 RCJXPJLEGOLDRW-UHFFFAOYSA-N 356.466 3.871 0 40 FHAB Cc1cccc(CN2C[C@H](OCc3nc4cc(C)c(C)cc4[nH]3)[C@H](F)C2)n1 96112359 ZGCOSQFRCVRPAY-XLIONFOSSA-N 368.456 3.622 0 40 FHAB biogenic,in-vitro COCCn1c(C(=O)Nc2c(C)nn(C)c2C)cc2cc(Cl)ccc21 95472475 ATEHRWOBFAEALB-UHFFFAOYSA-N 360.845 3.544 0 40 FHAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3ncccc3O)n2)cc1 95947318 PUSXVXCKCOCEIO-UHFFFAOYSA-N 352.394 3.532 0 40 FHAB Cc1nc2cc([C@H]3CCN(C[C@H](C)c4ccccc4)C3)nn2c(O)c1C 248167088 OYBQMBDOBDDHAM-KSSFIOAISA-N 350.466 3.645 0 40 FHAB COc1ccccc1Cc1cnc([C@H]2CCCN2c2ccnc(C)n2)o1 257242287 IBUBSGGEWSURQP-QGZVFWFLSA-N 350.422 3.714 0 40 FHAB Cc1cccnc1Nc1nccnc1[C@H]1CCCN(CC2CCOCC2)C1 257248504 JDXPTWSQPDZQEP-SFHVURJKSA-N 367.497 3.530 0 40 FHAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3ccncc3)o2)CC1)c1cccs1 257225742 FHONOURZDFKWDS-HDJSIYSDSA-N 368.462 3.897 0 40 FHAB CC(C)(C(=O)O)[C@@H]1CCCN(C(=O)c2ccc(C3CCOCC3)cc2)C1 630157939 PXRULACTTDVVMN-GOSISDBHSA-N 359.466 3.544 0 40 FHAB O=C(c1ncc2n1CCCC2)N1CCC[C@@H](c2nc3ccccc3s2)C1 630488487 MDCSJCWZOCWKHR-CQSZACIVSA-N 366.490 3.849 0 40 FHAB Cn1cnc2c(C(=O)N3CCCc4c3cccc4C(F)(F)F)ccnc21 644994182 XHCVOVWMUBWGTD-UHFFFAOYSA-N 360.339 3.580 0 40 FHAB COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1occ2c1CCC2 671676826 VIDNHTDQGIEAOQ-QGZVFWFLSA-N 355.434 3.598 0 40 FHAB C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(-n2cccn2)nc1 606552401 BAYGUZHFVADHGJ-CYBMUJFWSA-N 351.385 3.558 0 40 FHAB Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@@]2(CCN2C[C@@H]2CCCO2)C1 585102214 ULWIPTDSVMSXMI-HTAPYJJXSA-N 374.525 3.745 0 40 FHAB C[C@@H](CNC(=O)Nc1cccc(CN2CCCC2=O)c1)c1ccccc1 62581382 CAWWIHXSGJASAX-INIZCTEOSA-N 351.450 3.734 0 40 FHAB Fc1ccc2ncnc(N3CCN(c4nc5ccccc5s4)CC3)c2c1 92606638 KGQDPXDQLYKRMX-UHFFFAOYSA-N 365.437 3.705 0 40 FHAB O=C(OCc1ccccc1)N1CCC[C@@H]1c1ncc2c(Cl)nccn12 144305191 CVBYUIZTUMXADS-CQSZACIVSA-N 356.813 3.856 0 40 FHAB Cc1cc2ccccc2n1CC(=O)OCC(=O)Nc1cccc2ncccc12 11268778 GMIPCFAAEBUFMS-UHFFFAOYSA-N 373.412 3.680 0 40 FHAB CCOc1ccc(C(=O)N[C@@H](C)c2nc(-c3cccc(C)c3)no2)cc1 13495277 KZLJPWBSMCHVPQ-AWEZNQCLSA-N 351.406 3.935 0 40 FHAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 14024255 ZBWPQSJBNDCZRD-IBGZPJMESA-N 352.434 3.719 0 40 FHAB O=C(N[C@H]1CCCN1C(=O)/C=C\c1ccccc1)OCc1ccccc1 17141414 YTKWGDJYGIPJIQ-FNDLEWIFSA-N 350.418 3.575 0 40 FHAB CC(=O)N1CCC[C@@H](c2[nH]c3cccnc3c2CN2CCC(C)CC2)C1 19496920 GTVODPQKIFBBFV-QGZVFWFLSA-N 354.498 3.521 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(OC(C)C)n1 168678096 PLNSTMAPVHJXTH-UHFFFAOYSA-N 350.422 3.924 0 40 FHAB COc1cc(C(=O)Nc2cc(Cl)c(C)cc2N)cc(OC)c1OC 226349604 DZFVSWWAKXVZBT-UHFFFAOYSA-N 350.802 3.509 0 40 FHAB C[C@H](OC(=O)CCc1c[nH]c2ccccc12)c1nc2ccccc2c(=O)[nH]1 8650284 KUWLNOGMLBALGS-ZDUSSCGKSA-N 361.401 3.641 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nccc(C(F)(F)F)n2)c1C 26477964 UQKJLYJEYPENRO-UHFFFAOYSA-N 357.357 3.618 0 40 FHAB O=C(COc1cccc(-c2nnco2)c1)Nc1ccc(C(F)(F)F)cc1 31611572 SHEYMAOLZWECRS-UHFFFAOYSA-N 363.295 3.773 0 40 FHAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCC(=O)c1ccc2c(c1)OCCO2 33233286 RLQXMTIXGTVNOV-AWEZNQCLSA-N 371.408 3.779 0 40 FHAB O=C(C1c2ccccc2Oc2ccccc21)N1CC(Oc2cccnc2)C1 238977772 ZYITUPUGBORWGY-UHFFFAOYSA-N 358.397 3.609 0 40 FHAB CC(C)NC(=O)C1(Nc2ccccc2)CCN(Cc2cccc(F)c2)CC1 2055759354 ONMSYNJFDKOMFA-UHFFFAOYSA-N 369.484 3.797 0 40 FHAB Cn1cccc1[C@@H](CNC(=O)c1cccs1)N1CCc2ccccc2C1 21151639 DDUGGXAMXVAJRO-LJQANCHMSA-N 365.502 3.616 0 40 FHAB O[C@@H](CNc1ncc(Br)cn1)c1csc2ccccc12 1775970509 OUFXCIGXBQMJQX-LBPRGKRZSA-N 350.241 3.599 0 40 FHAB CO[C@H](CNC(=O)c1cc(=O)c2ccccc2o1)c1ccc(Cl)s1 225702662 PSFABXQEFGKMQG-CQSZACIVSA-N 363.822 3.625 0 40 FHAB COc1ccc(-c2noc(Cc3nnc(-c4ccc(C)c(F)c4)o3)n2)cc1 49405289 PIBHNFXVGZSVSO-UHFFFAOYSA-N 366.352 3.834 0 40 FHAB Cc1nc(NC(=O)Cn2c(=O)oc3ccccc32)sc1-c1ccccc1 40074406 DOQGVIHDAFTQLJ-UHFFFAOYSA-N 365.414 3.665 0 40 FHAB COc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)cc1 40074446 HNNGTCBSVBBFMV-UHFFFAOYSA-N 359.447 3.664 0 40 FHAB Cc1ccccc1NC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 100744244 SOPSZIDTQABLCC-SLUIBLPYSA-N 372.424 3.559 0 40 FHAB CC(C)CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3C(C)(C)C)c2ccccc21 32102138 OFAUMQZCUNZTCA-OAQYLSRUSA-N 366.465 3.919 0 40 FHAB CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)c1ccccc1 2624885 ISVLSIVOPRNNFW-UHFFFAOYSA-N 372.490 3.892 0 40 FHAB O=C(Cc1c(Cl)cccc1Cl)Nc1cc2c(=O)[nH]cnc2cc1F 32843646 YDFVXSWQJAYXIW-UHFFFAOYSA-N 366.179 3.550 0 40 FHAB Cc1ccccc1N[C@H](NC(=O)c1cccnc1)C(Cl)(Cl)Cl 808602 YNIRFGLOBODYIT-CQSZACIVSA-N 358.656 3.928 0 40 FHAB Cc1cccc(-c2ccc(C(=O)NCc3ncc(C(C)(C)C)o3)c(=O)[nH]2)c1 76093701 NIGGUJWZTHELBC-UHFFFAOYSA-N 365.433 3.566 0 40 FHAB CCCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccccn1 1362663 IITGLPOCVBUOLG-UHFFFAOYSA-N 367.478 3.789 0 40 FHAB CC(C)[C@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NC1CCCC1 1381294 CMUPUOZYUIMSBA-NSHDSACASA-N 365.282 3.690 0 40 FHAB O=C(O[C@@H]1CS[C@H](OC(=O)c2ccccc2)CS1)c1ccccc1 1720596 UTVZEFKAVSYDJH-HOTGVXAUSA-N 360.456 3.833 0 40 FHAB Cn1c(SC[C@H]2CCCCO2)nc2sc3c(c2c1=O)CCCC3 3457224 XZORHDOLHSPRQJ-LLVKDONJSA-N 350.509 3.535 0 40 FHAB Cc1cc(C)cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 3566007 OOVFRXJVLWRBOQ-UHFFFAOYSA-N 372.490 3.730 0 40 FHAB Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccc(F)cc3)c2=O)cc1 4904949 AMEYTCWQQRXUIC-UHFFFAOYSA-N 360.388 3.648 0 40 FHAB CC(C)(C)c1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)cc1 6708086 UAZWRXFFOLVAEC-UHFFFAOYSA-N 356.447 3.840 0 40 FHAB COc1ccc(C)cc1NS(=O)(=O)c1cccc(Br)c1 6919668 SPHNIOVEVCPXGK-UHFFFAOYSA-N 356.241 3.567 0 40 FHAB CN(c1ccc(C(=O)Nc2ccccc2)cc1)S(=O)(=O)c1cccs1 10009581 XLRSPNIGMYTAGH-UHFFFAOYSA-N 372.471 3.826 0 40 FHAB Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(N(C)C)nc2)c1 22394575 UVIZSFDAIWECDY-UHFFFAOYSA-N 366.421 3.584 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)CCc2ccc(OC)c(OC)c2)c1 8355663 RWYWQRUHXVEIPF-CQSZACIVSA-N 373.449 3.531 0 40 FHAB Cc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCSCC2)cc1 57613878 KOSBCSFWBWHETH-SFHVURJKSA-N 357.527 3.625 0 40 FHAB CC(C)C[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccccc1 23100100 WCWZXPRFQAYVLD-GOSISDBHSA-N 360.479 3.575 0 40 FHAB COc1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1Cl 3013600 WADPXJRCFXCUPP-HNNXBMFYSA-N 362.838 3.790 0 40 FHAB O=C(NCCc1cc(F)cc2c1OCOC2)Nc1cccc2cnccc12 47698514 FNOWVAVFMXLQSF-UHFFFAOYSA-N 367.380 3.605 0 40 FHAB CN(CC(=O)Nc1cccc(F)c1)Cc1ccccc1N1CCCCC1 12561872 QWUCIQZYWCFDCS-UHFFFAOYSA-N 355.457 3.887 0 40 FHAB CN(C)C(=O)Cc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1 55049213 LHFIJFMFSQIHMU-UHFFFAOYSA-N 365.458 3.693 0 40 FHAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(CC)c3)C2)cc1 24758059 IOPGHFCJMRLXCZ-MRXNPFEDSA-N 352.434 3.639 0 40 FHAB CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@H](C)CCC(C)C 12552046 FWMBVWCHHXKDLJ-QAPCUYQASA-N 365.493 3.735 0 40 FHAB CCc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 25147584 YFOAHLWFDTVGIZ-UHFFFAOYSA-N 369.490 3.694 0 40 FHAB O=C(CN1Cc2ccccc2[C@H](c2ccccc2)C1)NCc1ccccc1 25397341 RNJPXBLSXBNZIM-QHCPKHFHSA-N 356.469 3.951 0 40 FHAB C[C@]1(C(=O)N(Cc2ccccc2)c2ccccn2)Cc2ccccc2C(=O)O1 12550444 TZPUPWSPAJYBPL-HSZRJFAPSA-N 372.424 3.787 0 40 FHAB CCOC(=O)c1c(C)nc(Nc2nc(C)c3cc(C)c(C)cc3n2)nc1C 20634082 SUVBZXBMUZBRTQ-UHFFFAOYSA-N 365.437 3.882 0 40 FHAB COC(=O)c1ccc(-c2nc3cnccn3c2Nc2cccc(OC)c2)cc1 35616196 VVPLSLZSLPSJGT-UHFFFAOYSA-N 374.400 3.935 0 40 FHAB CC(C)(C)c1cc(C(=O)N2CCC3(C2)OCCO3)c(O)c(C(C)(C)C)c1 108893658 ZPXCVZHPAXUYKX-UHFFFAOYSA-N 361.482 3.576 0 40 FHAB O=C(COC(=O)Cc1ccc(Cl)cc1Cl)NC1CCCCCC1 3287325 YXDKOARWYGUPMO-UHFFFAOYSA-N 358.265 3.918 0 40 FHAB Cc1cc(NC(=O)COc2cccc3c2CCC3=O)ccc1Br 10197641 KMWMJEGQDDLXBP-UHFFFAOYSA-N 374.234 3.904 0 40 FHAB Cc1nnc(SC[C@@H](O)COc2cccc3ccccc23)n1C1CC1 58177858 JRSQGFOXWXQNKN-INIZCTEOSA-N 355.463 3.607 0 40 FHAB CCC(=O)Nc1ccc([C@@H](C)NC(=O)N(C)Cc2csc(C)n2)cc1 58213706 DYRWGZJWRIMGDP-GFCCVEGCSA-N 360.483 3.703 0 40 FHAB CCn1cc(C(=O)N2CCC[C@H]2c2nnc3ccccn23)c2ccccc21 48230203 WHDLXLYUZKAITN-SFHVURJKSA-N 359.433 3.681 0 40 FHAB Cn1cc(CC(=O)N[C@@H]2CCCc3c2cnn3C(C)(C)C)c2ccccc21 58425942 ZQXIUMANXKENCK-GOSISDBHSA-N 364.493 3.866 0 40 FHAB COc1ccc(NC(=O)COc2ccc3c(C)c(C)c(=O)oc3c2C)cc1 2221596 WIEIEKSHNZWFAH-UHFFFAOYSA-N 367.401 3.744 0 40 FHAB Cc1cc(C)n(-c2nc(N3CCCC3)c3c4c(sc3n2)CCCC4)n1 2224340 LANUQUGMTDTKDV-UHFFFAOYSA-N 353.495 3.973 0 40 FHAB Cc1cc(N[C@H](C)C(=O)Nc2cccc(F)c2)ccc1N1CCCC1=O 10750051 CWEZDWQGCQBLNC-CQSZACIVSA-N 355.413 3.700 0 40 FHAB Cc1cc(C)c(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)c(C)c1 3365332 HZCZWGHKNSETTN-UHFFFAOYSA-N 365.429 3.778 0 40 FHAB Cc1c(CC(=O)O)c(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 2369582 FWOQAKPMGVVGEX-UHFFFAOYSA-N 358.777 3.961 0 40 FHAB CCN(CC)Cc1ccc(CNC(=O)c2cc3c(C)nn(C)c3s2)cc1 12791986 YOHLTMSPUAVZMV-UHFFFAOYSA-N 370.522 3.715 0 40 FHAB Cc1ccc(NC(=O)NC(=O)CN2CCC[C@@H]2c2ccsc2)c(C)c1 48356088 SQZNBJLIVZXHKA-QGZVFWFLSA-N 357.479 3.850 0 40 FHAB Cc1ccc(NC(=O)CCc2c(C)[nH]n(-c3ccc(F)cc3)c2=O)cc1F 12820754 VWVZYGQROLJJPY-UHFFFAOYSA-N 371.387 3.632 0 40 FHAB Cc1cc(C)cc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)c1 12854133 RNPMECMSWMTLST-UHFFFAOYSA-N 367.474 3.661 0 40 FHAB Cn1cc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)c(C(C)(C)C)n1 92243224 HAPHHWCFBHMYDH-MRXNPFEDSA-N 361.873 3.585 0 40 FHAB Cc1nn(-c2ccccc2)nc1C(=O)N[C@H](C)c1ccc(OC(F)F)cc1 13021205 XNEXHNDLDMQSAN-GFCCVEGCSA-N 372.375 3.668 0 40 FHAB Cc1ccccc1OCc1nn2c(-c3ccc(N(C)C)cc3)nnc2s1 8706861 VBTOHPICBWXZDK-UHFFFAOYSA-N 365.462 3.806 0 40 FHAB Nc1nc(CSC(=S)N2CCCC2)nc2sc3c(c12)CCCC3 18333467 CBTPFJBJJZZOJM-UHFFFAOYSA-N 364.565 3.766 0 40 FHAB CCc1[nH]c(C(=O)N2CCCCC[C@H]2c2ccncc2)c(C)c1C(=O)OC 49764549 DRBMUZBJENKPSQ-KRWDZBQOSA-N 369.465 3.825 0 40 FHAB CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccc(OC)cc1 13779248 PEMPIGUUDCJCNQ-UHFFFAOYSA-N 350.418 3.507 0 40 FHAB CCCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 20489259 IRNNCTRTGOHHHV-UHFFFAOYSA-N 366.870 3.671 0 40 FHAB FC(F)(F)c1ccc(-n2ncc3c2COC[C@H]3NCc2ccco2)cc1 306143041 XRMZUGYTNAFZKX-MRXNPFEDSA-N 363.339 3.845 0 40 FHAB O=C(COc1ccccc1Cl)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 14110811 UELQFTMPROXFDH-MRXNPFEDSA-N 373.836 3.854 0 40 FHAB CCOc1cc2c(cc1OCC)CN(Cn1ncn(C3CC3)c1=S)CC2 14181973 CGPNWVZAJGKHCR-UHFFFAOYSA-N 374.510 3.562 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)CN(Cc1ccccc1F)C1CC1 14247195 LDXKVTDULQDUJN-KRWDZBQOSA-N 354.469 3.928 0 40 FHAB CCCn1nc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c2ccccc2c1=O 14245429 FWYOHQOWWGHGRM-QAPCUYQASA-N 353.466 3.601 0 40 FHAB Cc1ccc(-c2cn3c4c(n(C)c3n2)CCN(Cc2ccncc2)C4)cc1 306137131 QMDBZLJKGJXGHT-UHFFFAOYSA-N 357.461 3.602 0 40 FHAB CC[C@@H](CO)Nc1nc(SC)nc2sc3c(c12)C[C@](C)(CC)OC3 5501441 SIHNYODPPLYJLM-BTDLBPIBSA-N 367.540 3.837 0 40 FHAB COc1ccc(NC(=O)COc2ccc(C(F)(F)F)cc2)cc1OC 5957726 XPFVSBUOBLIYOF-UHFFFAOYSA-N 355.312 3.740 0 40 FHAB CCCOc1ccc(CNC(=O)c2cn(-c3ccc(CC)cc3)nn2)cc1 67262072 SQNKVSUVWSFMFU-UHFFFAOYSA-N 364.449 3.549 0 40 FHAB c1ccc(Nc2nc(NCc3ccc4c(c3)OCO4)nc3nccnc23)cc1 9075191 FDNYKFCMWHKFLO-UHFFFAOYSA-N 372.388 3.504 0 40 FHAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)cc2F)c1 7506890 AOJKVRXSOKWCAL-VMPITWQZSA-N 363.772 3.683 0 40 FHAB COc1cc(/C=C2\CCn3c2nc2sc(C)c(C)c2c3=O)ccc1O 7699735 FRPYOFWMZGFRQC-MDWZMJQESA-N 354.431 3.733 0 40 FHAB CC(=O)N[C@H]1C(=O)N(CCCOc2ccccc2C)c2c(C)cc(C)cc21 8047829 ZOBDIKIDRVYOKM-HXUWFJFHSA-N 366.461 3.605 0 40 FHAB Cc1ccc(C(C)C)cc1OCC(=O)NCCn1c(C)nc2ccccc21 8173170 OMPUNLIJKCVTPV-UHFFFAOYSA-N 365.477 3.972 0 40 FHAB O=C(Nc1ccncc1N1CCCCC1)c1occc1Br 96012128 IHOULUAKRGRNSR-UHFFFAOYSA-N 350.216 3.680 0 40 FHAB Cc1noc(C)c1S(=O)(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 70018688 VNDPWZLRNQHDSP-MRXNPFEDSA-N 352.431 3.640 0 40 FHAB CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)[C@H]2CCOC2)cc1 69358871 GYPWHEZLBIIBHE-AWEZNQCLSA-N 358.825 3.592 0 40 FHAB Cc1ccc2oc(C(=O)/N=c3/[nH]c4ccc(F)cc4s3)cc(=O)c2c1 9319483 XPPNSNHWWRGKBJ-UHFFFAOYSA-N 354.362 3.524 0 40 FHAB CCc1nnc(O)c(C(=O)O[C@@H](C)C(=O)c2cc(C)c(C)cc2C)c1CC 83817621 IDZJQEQTEHBQGR-AWEZNQCLSA-N 370.449 3.660 0 40 FHAB Cc1nc(CN[C@@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)oc1C 97143571 NBKBUMFPFJMGLA-JTQLQIEISA-N 355.360 3.817 0 40 FHAB Cc1sc2nc(-c3cccs3)nc(N(C)CC(=O)NC3CC3)c2c1C 23329885 QJCSMGDJIBATDD-UHFFFAOYSA-N 372.519 3.751 0 40 FHAB CCCS(=O)(=O)c1ccccc1C(=O)Nc1cccc([C@H](C)OC)c1 72087217 OZSMIKYYADJZEN-AWEZNQCLSA-N 361.463 3.830 0 40 FHAB COc1ccc(C2(CN[C@@H]3CCN(C(C)=O)Cc4ccccc43)CC2)cc1 95995730 RCKPVUZUFKPCHP-JOCHJYFZSA-N 364.489 3.810 0 40 FHAB COc1ccc(-c2noc(-c3cnc([C@@H]4CCCO4)s3)n2)cc1OC 89643622 PUIQHFOVWDPLJR-LBPRGKRZSA-N 359.407 3.729 0 40 FHAB COc1ccc(CN2C[C@H](C(=O)Nc3ccc(C)c(Cl)c3)CC2=O)cc1 28404963 KENMAIQHMJIZNL-OAHLLOKOSA-N 372.852 3.644 0 40 FHAB CCOC(=O)c1ccccc1NC(=S)N1C(=O)CSc2ccccc21 28527741 YIVPNTKHERGKGP-UHFFFAOYSA-N 372.471 3.699 0 40 FHAB Cc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2ccccc2O)cc1 408561315 HRFDIJYMRFLPPS-UHFFFAOYSA-N 364.401 3.570 0 40 FHAB S=C(NCCc1ccccc1)N1CCC(n2cnc3ccccc32)CC1 35291815 FXAQEFPQLFYSCU-UHFFFAOYSA-N 364.518 3.790 0 40 FHAB Fc1ccc(CN2CCC[C@@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 72377423 HFLVOVGDAWMXSC-MRXNPFEDSA-N 364.428 3.529 0 40 FHAB CC1(C)OCC2(CO1)CN(C(=O)C1c3ccccc3Oc3ccccc31)C2 70971769 JUWKIDGICNYGIJ-UHFFFAOYSA-N 365.429 3.536 0 40 FHAB CCOC(=O)c1cc(Nc2ncnc3ccccc23)cc(C(=O)OCC)c1 32908977 QQLMWEYQBQDKLL-UHFFFAOYSA-N 365.389 3.727 0 40 FHAB CNC(=O)c1sc2ccccc2c1[C@H]1CCN(c2cc(C)nc(C)n2)C1 72352430 WNXACOQANJXMTK-AWEZNQCLSA-N 366.490 3.662 0 40 FHAB CC1(C)C[C@@H](NC(=O)CCc2ccc3c(c2)OCO3)c2ccccc2O1 222652353 GKYGWWXULASSMV-MRXNPFEDSA-N 353.418 3.767 0 40 FHAB O=C(Nc1cccc2cccnc12)c1cccnc1O[C@H]1CCSC1 225727450 KWAAFSPWEHQDKU-AWEZNQCLSA-N 351.431 3.766 0 40 FHAB CCN1CCN(c2ccc(N)cc2NC(=O)c2ccc(C)c(Cl)c2)CC1 226259333 VPYNYKLUJQOQJZ-UHFFFAOYSA-N 372.900 3.625 0 40 FHAB COc1ccccc1CNS(=O)(=O)c1cc(Cl)ccc1SC 223439032 VVSBNLSWWNVIHY-UHFFFAOYSA-N 357.884 3.549 0 40 FHAB COc1ccc(S(=O)(=O)NCC2=CCCCC2)c(Cl)c1Cl 223851733 FFCFFDITHOHLTP-UHFFFAOYSA-N 350.267 3.781 0 40 FHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 225010657 ATXRRXJQVMSPDE-SJORKVTESA-N 370.468 3.700 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2cc(C)c(O)c(Br)c2)c1 226242792 OWUDILGQSPDXFU-UHFFFAOYSA-N 366.211 3.733 0 40 FHAB C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccncc1 48286979 KGDBMIXNVYTKCO-LBPRGKRZSA-N 357.360 3.825 0 40 FHAB COc1cncc(/C=C/CCN2CCc3cc(OC)c(OC)cc3CC2)c1 574569767 ANSVTQHAUWAPSW-GQCTYLIASA-N 368.477 3.612 0 40 FHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Br)s1 222769390 LNEWKZAFBQKQGQ-QWHCGFSZSA-N 368.325 3.898 0 40 FHAB CNC(=O)C[C@@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21 96053243 DXDZQGHSMMBQNE-MRXNPFEDSA-N 370.518 3.785 0 40 FHAB Cn1cc(CN[C@H]2CC3(CCN(c4cccnc4)CC3)c3ccccc32)cn1 96079020 VRJBLGSGVDSUKJ-QFIPXVFZSA-N 373.504 3.588 0 40 FHAB CC(C)(C)C[C@H](O)Cc1nc(-c2ccc(OCCN3CCCC3)cc2)no1 585084164 BGHVFYUSXNBOHY-QGZVFWFLSA-N 373.497 3.551 0 40 FHAB Cc1ccc([C@@H]2CCCN2C(=O)Cc2cc(Cl)c3c(c2)OCCO3)o1 604731603 JIBIPOPRANWWMO-HNNXBMFYSA-N 361.825 3.919 0 40 FHAB O=C(O)c1cnc(C2CCN(C(=O)c3ccccc3Cl)CC2)s1 630242094 HQEDTHABOUFJAR-UHFFFAOYSA-N 350.827 3.515 0 40 FHAB O=C(/C=C/c1cccs1)N1CCC(Oc2cnc3ccccc3n2)CC1 90678252 UMIIHFVQIQTCQZ-BQYQJAHWSA-N 365.458 3.775 0 40 FHAB C[C@H](C(=O)N1CC(C)(C)Oc2ccccc21)n1ccc(C(F)(F)F)n1 1266197646 WYUYDFBGLGIDEM-LLVKDONJSA-N 353.344 3.667 0 40 FHAB CC(C)Cc1c[nH]c(C(=O)N2CC[C@@H](NC(=O)C3(C)CCC3)C(C)(C)C2)c1 1775996791 IVCAAPNDORWKBG-GOSISDBHSA-N 373.541 3.760 0 40 FHAB CN(CCc1cnccn1)C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 685052299 LGKLPNFKMHSZPQ-LJQANCHMSA-N 352.482 3.764 0 40 FHAB CC[C@H](NC(=O)NCc1cccc(C(=O)N2CCCC2)c1)c1cccs1 57243084 DPMXFHHRSPYUJY-KRWDZBQOSA-N 371.506 3.935 0 40 FHAB Cc1cccc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)c1C 57364049 ZHSFSWBYCFQGNY-UHFFFAOYSA-N 357.885 3.718 0 40 FHAB CCOc1ccc2c(c1)C=C(C(=O)Nc1cc(C)nc(C(C)C)n1)CO2 63439944 CINBXXZCNHWVMC-UHFFFAOYSA-N 353.422 3.722 0 40 FHAB COCCOC(=O)c1oc2c(c1C)C(=O)C[C@@H](c1cccc(Cl)c1)C2 5272276 IRGDMSLZCPUBPP-CYBMUJFWSA-N 362.809 3.957 0 40 FHAB O=C(c1cn[nH]c1-c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 12530018 WLKZSDDKGHQBQZ-UHFFFAOYSA-N 366.852 3.693 0 40 FHAB CCc1ccc(NC(=O)[C@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 13713187 CHALHWPBZLMTJV-IBGZPJMESA-N 374.506 3.741 0 40 FHAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C[C@H]1C=CCC1 14633615 SARFJHGNTROMPV-ZDUSSCGKSA-N 359.857 3.671 0 40 FHAB COc1cccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 16029616 QPQCQCNULIQIBI-LLVKDONJSA-N 350.212 3.864 0 40 FHAB Cc1ccc(S(=O)(=O)NCCCCCCCCCCC(=O)O)cc1 16310355 XBZRRPZXDWJVQF-UHFFFAOYSA-N 355.500 3.869 0 40 FHAB Cc1cnn(CC(=O)N2CCCCCCCc3ccccc3OCC2)c1 643583814 BEJFREFUBHKVSR-UHFFFAOYSA-N 355.482 3.606 0 40 FHAB C[C@@H](OC(=O)c1ccccc1Br)c1nc2ccccc2c(=O)[nH]1 5664986 KDRYCVKSMUUWTA-SNVBAGLBSA-N 373.206 3.604 0 40 FHAB COc1ccc(CCC(=O)N2[C@H]3CC[C@H]2CC(n2cc(C)cn2)C3)cc1 1889148732 NOWYCYANNSHLIL-ROUUACIJSA-N 353.466 3.527 0 40 FHAB C[C@@H]1Oc2c(C(=O)NCc3ccccc3Cn3ccnc3)cccc2[C@@H]1C 25666306 LLDSMCTYSIALMN-CVEARBPZSA-N 361.445 3.746 0 40 FHAB C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cccc(Cl)c1 32973787 HPFISSDUKGUARK-WFASDCNBSA-N 352.862 3.917 0 40 FHAB CC(C)[C@@H]1C=CC[C@](C)(O)C[C@@H]2O[C@@]2(C)C[C@@H]1OC(=O)c1ccc(O)cc1 254848356 JJEBKVFRHNKOBW-PAPPXSOASA-N 374.477 3.838 0 40 FHAB O=C1CCC2(CCN(Cc3ccc(F)c(F)c3)CC2)N1Cc1ccncc1 1204224912 ZLKFHKCBTUTHLG-UHFFFAOYSA-N 371.431 3.517 0 40 FHAB COc1cccc(OC)c1C(=O)/N=c1/sc2cc(C)cc(C)c2n1C 100819196 ZWVNRJAXMINSHI-FMQUCBEESA-N 356.447 3.615 0 40 FHAB O=C(CCCC(=O)c1ccccc1)NC[C@H]1CCCN1c1ccccc1 207988942 ICHMYINZRGPXOF-HXUWFJFHSA-N 350.462 3.825 0 40 FHAB Cc1[nH]c2nc(-c3ccc(Cl)cc3)nn2c(=O)c1Cc1ccccc1 101283179 FSXSOGFLYQZBBJ-UHFFFAOYSA-N 350.809 3.637 0 40 FHAB Cc1ccc(-c2cc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)[nH]n2)cc1 30030588 CQLAQOPKKIYQKQ-OAQYLSRUSA-N 360.461 3.514 0 40 FHAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CCN1C(=O)COc2ccccc21 30315863 PGGJJPNIWGZNFI-AWEZNQCLSA-N 372.852 3.675 0 40 FHAB CC(=O)NCCc1ccc(-c2csc(Nc3ccccn3)n2)cc1F 30447089 OGAKZBFPESJRNQ-UHFFFAOYSA-N 356.426 3.766 0 40 FHAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)N[C@H](C)CCCC(C)C)cc1 40160521 HZBMMUMXSOWCCF-OMCKNOPTSA-N 360.498 3.544 0 40 FHAB O=C1NC2(CCCCCC2)C(=O)N1Cc1nc2ccccc2n1C(F)F 31631322 RQUWESRGBXVGAK-UHFFFAOYSA-N 362.380 3.576 0 40 FHAB Cc1ccc(C(=O)[C@H](C)Sc2ccc(C(=O)N3CCCC3)cn2)cc1 32789436 SEVTVARJWXLUJV-HNNXBMFYSA-N 354.475 3.990 0 40 FHAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)[C@@H]1CCOC1 69346837 KOBLPHLHAPLDRS-HZSPNIEDSA-N 364.873 3.718 0 40 FHAB CCOc1ccc(Oc2cc(CNc3cn[nH]c(=O)c3Cl)ccn2)cc1 52486186 LAHBDIKKHZGVQQ-UHFFFAOYSA-N 372.812 3.621 0 40 FHAB Cc1nc(COc2ccc(C(=O)N3CC[C@@H]4CCCC[C@@H]4C3)cc2)no1 32878980 UWBHGFJQLOPMKP-DOTOQJQBSA-N 355.438 3.609 0 40 FHAB COc1ccc2c(C)c(CCC(=O)N(C)Cc3ccsc3)c(=O)oc2c1 32843404 PJUQWBZYWOXNAY-UHFFFAOYSA-N 371.458 3.763 0 40 FHAB O=C(c1ccccc1)[C@H]1C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 1705383 WGAKCJYXIVEBLE-IBGZPJMESA-N 356.381 3.911 0 40 FHAB CC(=O)c1ccc(OC(=O)[C@H](CNC(=O)OC(C)(C)C)CC(C)C)cc1 79056798 TYHZXRADDYQVKV-INIZCTEOSA-N 363.454 3.982 0 40 FHAB C[C@H]1[C@@H](C)Sc2ccccc2N1S(=O)(=O)c1cc(C(=O)O)cs1 79105863 KSJHSQKNFXNGPZ-VHSXEESVSA-N 369.489 3.524 0 40 FHAB COC(=O)[C@H](C)n1cnc2sc(C)c(-c3ccc(C)c(C)c3)c2c1=O 2549560 IUEFRGKDNKOUCT-LBPRGKRZSA-N 356.447 3.784 0 40 FHAB CCOc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)O)c3)no2)cc1 21786651 JNZJNKOSRTUKOG-UHFFFAOYSA-N 352.346 3.691 0 40 FHAB COc1cc(NC(=O)COc2ccc(C)cc2)ccc1NC(=O)C(C)C 4554780 JISRAJIRRREYIT-UHFFFAOYSA-N 356.422 3.616 0 40 FHAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(Br)cc1C(=O)O 4591873 ZUYPQVDYUQPHPT-UHFFFAOYSA-N 368.614 3.982 0 40 FHAB COc1ccc(Cc2nc3c4c(C)c(C)n(CC(C)C)c4ncn3n2)cc1 21801488 YSEYWGWXTFBBIK-UHFFFAOYSA-N 363.465 3.951 0 40 FHAB O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1c(F)cccc1F 4950197 LTVPCTRVMSWOOG-UHFFFAOYSA-N 350.328 3.927 0 40 FHAB O=C(Nc1ccc(Br)cc1Cl)[C@@H]1COc2ccccc2O1 6260182 FXEYKEOZIHKZSO-AWEZNQCLSA-N 368.614 3.881 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC(C)CC3)c2)cc1 7360886 FMLYEDANEVEEEN-UHFFFAOYSA-N 372.490 3.668 0 40 FHAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2ccc(OC)cc2)c1C 10443837 IEMYAUQKECZOCE-LJQANCHMSA-N 371.433 3.976 0 40 FHAB COc1cc(CNCc2ccc3c(c2)OCO3)cc(Cl)c1OC(F)F 22770277 NUCLKVDTGFGKLK-UHFFFAOYSA-N 371.767 3.969 0 40 FHAB Cc1nc2c(cc(OCC(=O)N3CCSCC3)c3ccsc32)s1 53818999 BLQPJQYDYJFQPU-UHFFFAOYSA-N 364.517 3.774 0 40 FHAB COc1cc(NC(=O)CSCc2cc(C)no2)c(OC)cc1Cl 22816922 OFTONBYFUISCNF-UHFFFAOYSA-N 356.831 3.526 0 40 FHAB CCOC(=O)Cn1cnc2sc(C)c(-c3ccc(Cl)cc3)c2c1=O 812685 UJVMJTIRBJLOSL-UHFFFAOYSA-N 362.838 3.650 0 40 FHAB O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1nccs1 808271 VRMOJFWDQAQNKR-UHFFFAOYSA-N 353.403 3.682 0 40 FHAB COc1cccc(NC(=O)COC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1 9552145 PJNHMSYKRHDFBI-UHFFFAOYSA-N 352.390 3.589 0 40 FHAB O=C(Nc1ccc2oc(=O)ccc2c1)c1cnn(-c2ccc(Cl)cc2)c1 69489954 VSSORAJZBKRSGG-UHFFFAOYSA-N 365.776 3.884 0 40 FHAB CCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 3166305 OODQGXIHNWEMRS-UHFFFAOYSA-N 372.368 3.855 0 40 FHAB CCc1c(C)sc2nc(C(C)C)n3c(=O)n(Cc4ccccn4)nc3c12 57730718 OSQNWJWILQCUER-UHFFFAOYSA-N 367.478 3.543 0 40 FHAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(F)cc3)o2)cc1 104996875 FFUJTOYLRURSGF-UHFFFAOYSA-N 373.409 3.827 0 40 FHAB CCCOc1ccccc1NC(=O)CNC(=O)c1cc(C)c(CC)s1 24450317 SWXAIKWUHXUEJB-UHFFFAOYSA-N 360.479 3.776 0 40 FHAB C[C@@H](NC(=O)COc1cccc(Br)c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 103075129 FDRDZYSCVFNPHX-JXFSHQFZSA-N 352.272 3.769 0 40 FHAB CCCC[C@H](c1nnnn1C1CCCC1)N1CCN(C2CCCCC2)CC1 20121714 RDWKFJIHDGZGEQ-HXUWFJFHSA-N 374.577 3.970 0 40 FHAB CC(C)[C@@H](Sc1nc2ccccc2n1C1CCCCC1)C(=O)NC(N)=O 12535437 AZJIRCHIHQFSDF-MRXNPFEDSA-N 374.510 3.853 0 40 FHAB O=C(OCc1cc(Cl)c2c(c1)OCO2)[C@H]1Cc2cc(Cl)ccc2O1 24978596 MDZSSFKBPWHDHD-OAHLLOKOSA-N 367.184 3.769 0 40 FHAB C[C@@H](OC(=O)c1cc(Cl)c[nH]1)C(=O)Nc1cccc(C(F)(F)F)c1 25194799 OHLDKDFBZGPAFL-MRVPVSSYSA-N 360.719 3.871 0 40 FHAB COc1ccc(CCC(=O)Nc2cccc(Cn3ccnc3)c2)cc1OC 25170863 VXPIILIPWXEARN-UHFFFAOYSA-N 365.433 3.520 0 40 FHAB COc1cc(Br)c(CN[C@H](C)c2ccccn2)cc1OC 25359110 IYSMDJPIDLQIBS-LLVKDONJSA-N 351.244 3.712 0 40 FHAB CSc1ccc(Cl)c(C(=O)OCC(=O)NCCc2ccccc2)c1 3228500 QKBLXUXLGODUPX-UHFFFAOYSA-N 363.866 3.578 0 40 FHAB Cc1cc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)no1 35392716 UDAKALMXPANRLH-IBGZPJMESA-N 353.447 3.631 0 40 FHAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc2c(c1)OCO2 20140711 ZHRJHQDUJOSFQT-UHFFFAOYSA-N 351.358 3.728 0 40 FHAB CCC(C)(C)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 57157070 ZJQXLFZXEDXTAA-UHFFFAOYSA-N 360.479 3.714 0 40 FHAB O=C(Nc1cnn(Cc2ccccc2)c1)Nc1cccnc1N1CCCC1 48080820 WUBQBUJQXYXGBE-UHFFFAOYSA-N 362.437 3.571 0 40 FHAB CCCn1c(SCC(=O)N(C)c2ccccc2)nc2ccsc2c1=O 57425196 OWCGQHUIWYMJAQ-UHFFFAOYSA-N 373.503 3.623 0 40 FHAB CCCCc1nc(CS(=O)(=O)[C@H](C)c2nc(C(C)C)no2)cs1 58024713 UOHIHKLLWRGXTN-LLVKDONJSA-N 357.501 3.668 0 40 FHAB CCC(CC)NC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 10216446 OKUWAWILIQKNPN-UHFFFAOYSA-N 360.527 3.829 0 40 FHAB COc1ccc2nc(NS(=O)(=O)c3ccc4c(c3)CCC4)sc2c1 28577736 AAXWCIUMFPQVBN-UHFFFAOYSA-N 360.460 3.594 0 40 FHAB O=C(Nc1ccc(Br)cc1)C1CCN(Cc2cccnc2)CC1 58231113 CNGFSAQPMHKKPM-UHFFFAOYSA-N 374.282 3.695 0 40 FHAB COc1ccc(C(=O)C2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)cc1 12741069 OIXBMJNOMQXGCN-UHFFFAOYSA-N 363.457 3.919 0 40 FHAB CC(=O)NC(=S)Nc1cc(C)c(O)c(-c2nc3ccccc3s2)c1 2197406 WPOJYRXLMISTEX-UHFFFAOYSA-N 357.460 3.810 0 40 FHAB Cc1nn(C)c(C)c1[C@H]1SCC(O)=Nc2c1cnn2-c1ccccc1 44902618 PIMQGXQXIVBJPK-KRWDZBQOSA-N 353.451 3.647 0 40 FHAB Cc1cc(=O)n2c(n1)NC(Nc1ccccc1Cl)=N[C@H]2[C@@H]1CC=CCC1 10385370 ZHCDPSMJMLARQF-CXAGYDPISA-N 369.856 3.954 0 40 FHAB CCCc1nnc(NC(=O)c2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)s1 27995197 AUQNXJXEYGDRQJ-JTQLQIEISA-N 370.434 3.721 0 40 FHAB CSc1ccc(CN(C)[C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 12744931 RDQRVGXLKRXNGU-IBGZPJMESA-N 358.482 3.999 0 40 FHAB CCNc1nnc(SC[C@H](O)COc2ccccc2C(C)C)s1 58474218 NLQKTIBEHMMIEF-GFCCVEGCSA-N 353.513 3.625 0 40 FHAB O=C(O[C@H]1CCCCC1=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 10649979 AMVUMKPBUBFRKN-SFHVURJKSA-N 356.397 3.559 0 40 FHAB Cc1ccc2c(=O)cc(C(=O)Nc3ccnn3Cc3ccccc3)oc2c1C 28402729 GTRAUBDJGBOOMK-UHFFFAOYSA-N 373.412 3.907 0 40 FHAB Cc1ccccc1-n1c(=O)c2c3c(sc2n2c(C)nnc12)CCCC3 2304679 MXXUGCOXANCEMW-UHFFFAOYSA-N 350.447 3.591 0 40 FHAB C[C@@H](Sc1ccccc1)C(=O)N[C@H](c1ccccc1)c1nccn1C 48324916 BYUIQOVFVVUPER-CRAIPNDOSA-N 351.475 3.807 0 40 FHAB Cc1cc(S(=O)(=O)NCCc2ccccc2)c(C)cc1Br 36638928 KEJSPZYEFONPIE-UHFFFAOYSA-N 368.296 3.587 0 40 FHAB Cc1nnc(S[C@H](C)C(=O)N(C)c2ccccc2)n1-c1ccccc1 3409815 VVCYIBRYIKPHOY-CQSZACIVSA-N 352.463 3.719 0 40 FHAB Nc1nc(Cl)cc(N2CCC[C@H]2c2ccc(Br)cc2)n1 48571701 LUHOWRGVFFJJFV-NSHDSACASA-N 353.651 3.816 0 40 FHAB O=C(COC(=O)COc1ccc(Cl)cc1Cl)Nc1ccccc1 3504820 ZQCKQLOVJBUVLR-UHFFFAOYSA-N 354.189 3.554 0 40 FHAB COC(=O)C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccccc1Cl 12974178 KUPYICZDNVJJLG-SFHVURJKSA-N 370.836 3.784 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2cc3c(cc2Cl)OCCO3)cc1F 8705376 DITFIFNRNBJBTL-HWKANZROSA-N 363.772 3.911 0 40 FHAB CC[C@@]1(C)Cc2ccccc2-c2nc(NN)n(-c3ccc(C)cc3)c(=O)c21 5066219 QEVMPHJXKSCLOY-QFIPXVFZSA-N 360.461 3.717 0 40 FHAB CCCC(=O)Nc1c(-c2cccc(OC)c2)c(=O)c2ccccc2n1C 5271534 DUHYEIYNWDUVNQ-UHFFFAOYSA-N 350.418 3.953 0 40 FHAB Cc1cccc(C)c1-n1nnnc1SCC(=O)Nc1cccc(Cl)c1 5391476 KWNDUSMEYQMJGZ-UHFFFAOYSA-N 373.869 3.663 0 40 FHAB Cc1ccc(-c2csc3ncn(CC(=O)N[C@@H](C)C(C)C)c(=O)c23)cc1 5318187 FPKULQCTGCTHFG-AWEZNQCLSA-N 369.490 3.594 0 40 FHAB O=C(NC1CCN(C2CC2)CC1)c1ccc(OCc2ccccc2)cc1 14163327 WJEQODCNMQFKQY-UHFFFAOYSA-N 350.462 3.622 0 40 FHAB Cc1ccc(OCCN(C)C(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1 14226657 ATPKVMSFOXLXCG-UHFFFAOYSA-N 363.461 3.949 0 40 FHAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)O)C2=O)cc1Cl 409019393 IUNWFUDOMRZIQF-XSHGTHSTSA-N 369.826 3.638 0 40 FHAB COc1ccc([C@H]2[C@H](CN3CCCCC3)C(=O)N2c2ccccc2)cc1 5527110 YOZCZMWRFAHLNU-SFTDATJTSA-N 350.462 3.885 0 40 FHAB COc1ccc([C@@H]2SC[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)N32)cc1 4723403 HSPWABTZKCKEMH-AEFFLSMTSA-N 354.431 3.586 0 40 FHAB CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc(F)cc1 4736231 AZVHWZACCGYQPB-UHFFFAOYSA-N 374.416 3.974 0 40 FHAB C[C@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(F)cc1Cl 5689602 GHWBJMKTRFSAEC-JTQLQIEISA-N 350.777 3.689 0 40 FHAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2cnc3ccccc3c2)CC1=O 66338926 HFXGLVHLXGSXOB-MAUKXSAKSA-N 359.429 3.783 0 40 FHAB C[C@H]1CCc2c(sc(NC(=O)c3ccc(F)cc3F)c2C(N)=O)C1 6790716 GCFAZKNGTZYAOV-QMMMGPOBSA-N 350.390 3.502 0 40 FHAB CCNC(=O)c1cccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)c1 15024599 VMTLLCCUWCNZOT-UHFFFAOYSA-N 374.824 3.503 0 40 FHAB O=C(Cn1nc(-c2cccs2)ccc1=O)Nc1cccc2ccccc12 4986549 JROUFGSOEGGCBC-UHFFFAOYSA-N 361.426 3.764 0 40 FHAB C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cccc(Cn3cccn3)c2)c1 25134141 XZAPIBMHGNVUTI-QRWLVFNGSA-N 374.444 3.778 0 40 FHAB Cc1nn(C[C@H](C)C(=O)Nc2ccc(-n3ccnc3C)cc2)c(C)c1Cl 28241019 DYHSIMPWYKBUJX-LBPRGKRZSA-N 371.872 3.922 0 40 FHAB COc1cc(C(=O)N(CC2CC2)CC(F)(F)F)ccc1OC(F)F 72313257 WHLIOOCHAXFORN-UHFFFAOYSA-N 353.287 3.711 0 40 FHAB Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2c[nH]c(C(C)C)n2)cc1 72304373 GIUSYSNKQGMFRX-SFHVURJKSA-N 355.482 3.705 0 40 FHAB O=C(NC1CC1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 71800789 HRTNLAYVVCIMFI-UHFFFAOYSA-N 359.470 3.544 0 40 FHAB CN1C(=O)c2cc(NC(=O)c3ccsc3)ccc2Oc2ncccc21 95475672 ITHTYCOWHLORHQ-UHFFFAOYSA-N 351.387 3.778 0 40 FHAB O=C(Nc1cccc(C(=O)N2CCC[C@@H]2c2ncc[nH]2)c1)c1cccs1 95458561 ZGRZQPFKPNJHHR-OAHLLOKOSA-N 366.446 3.701 0 40 FHAB C[C@H]1C[C@H](Nc2ccccc2N2CCC(O)CC2)CN1Cc1ccccc1 95997204 GLCWBGLYXDCCKI-ICSRJNTNSA-N 365.521 3.723 0 40 FHAB CCO[C@@H](C)C(=O)N(CCN(CC)CC)c1cccc(Br)c1 75358117 QSQZLINQMKBSLZ-AWEZNQCLSA-N 371.319 3.549 0 40 FHAB CC1CCN(C(=O)[C@H](C)N2CC=C(c3c[nH]c4ccccc34)CC2)CC1 89929930 DEJAQPBNUWDRLR-KRWDZBQOSA-N 351.494 3.904 0 40 FHAB Cc1cc(C)cc(CN2CCC3(CC2)c2ccccc2N(C)S3(=O)=O)c1 306127092 FOHYUJDWQDQJTB-UHFFFAOYSA-N 370.518 3.574 0 40 FHAB Cc1cc(OCC(=O)NCCCN(C)c2ccccc2)cc(C)c1Cl 218927684 MEBCKMKLRIIQGX-UHFFFAOYSA-N 360.885 3.978 0 40 FHAB CCOc1ccccc1CCCNC(=O)c1cccc(N2CCCC2=O)c1 219212388 KKZKGKOWIDLSGL-UHFFFAOYSA-N 366.461 3.575 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(N2CCCC2=O)cc1 219578462 DOVKLAUPLRNACE-QGZVFWFLSA-N 356.397 3.749 0 40 FHAB Cc1nc2c(c(Nc3ncc(C)s3)n1)CN(Cc1ccccc1)CC2 72380787 CAOBJTQGVGNSKW-UHFFFAOYSA-N 351.479 3.852 0 40 FHAB Cc1cc(C)cc(OCC(=O)Nc2c(C)cc(N)cc2Br)c1 227145243 FVCLKEPUYBQKJI-UHFFFAOYSA-N 363.255 3.974 0 40 FHAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCOCC)nc1C 225904835 OMOJHOKMDVWLLL-FQEVSTJZSA-N 366.502 3.975 0 40 FHAB CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)cc1 222751249 LPKXATYMGNNWNU-ROUUACIJSA-N 352.438 3.614 0 40 FHAB COCc1cccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 224529738 WAXAITXTBNCCDS-UHFFFAOYSA-N 352.478 3.992 0 40 FHAB CCOC(=O)c1cc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)ccc1OCC 225807937 FKWIXBJRIMFRJB-VBKZILBWSA-N 363.454 3.796 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)Sc2nc3nc(C)c(C)c(C)n3n2)cc1F 40119208 URDWUQAQCKKIQG-ZDUSSCGKSA-N 373.457 3.616 0 40 FHAB CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(F)cc1 220664659 LOBRVQBMMDOPCO-HOTGVXAUSA-N 351.418 3.729 0 40 FHAB Cc1nc([C@@H]2CCN(C(=O)Nc3ccccc3-c3cccs3)C2)n[nH]1 572013072 GGHQPXFNWLBDDW-CYBMUJFWSA-N 353.451 3.863 0 40 FHAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCCCc3ccc(F)cc3)c12 223279101 XOBRUVWJRWDLSU-UHFFFAOYSA-N 366.440 3.656 0 40 FHAB O=C(O)c1ccc(F)c(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1 223368057 XUAOKCJIVHOLRE-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB Cc1ccc2c(C(=O)N3CCC([C@@H]4C[C@@H](N)CCO4)CC3)csc2c1 333296879 PLRJPCLGXCNTQZ-YJBOKZPZSA-N 358.507 3.568 0 40 FHAB O=C(c1cscn1)N1CCC2(CCN(Cc3cccs3)CC2)CC1 96047283 XLEHPLDVWBRXCD-UHFFFAOYSA-N 361.536 3.723 0 40 FHAB C[C@]12CCCN(C(=O)c3ccnc(Cc4ccc(F)cc4)c3)[C@@H]1CCCN2 257313929 UURVNHOUHVCCES-IRLDBZIGSA-N 367.468 3.558 0 40 FHAB CC(C)N1CCC(Cc2cncc(-c3cc(F)ccc3C(=O)O)n2)CC1 257226557 FLDOHRJKGQQGKR-UHFFFAOYSA-N 357.429 3.644 0 40 FHAB CCCC[C@H](CC)CNC(=O)[C@H](CC)N(c1ccccc1)S(C)(=O)=O 260844231 HZQDZIIRRLDEIC-WMZOPIPTSA-N 368.543 3.564 0 40 FHAB C[C@@H](Oc1cccc2ccccc12)C(=O)N1CC(=O)N(C)c2ccccc2C1 1633140143 XCASIKUVAMXAKP-MRXNPFEDSA-N 374.440 3.612 0 40 FHAB C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)NCc1cccnc1 623334801 IJSBTRZTQNHIPE-CZUORRHYSA-N 374.282 3.932 0 40 FHAB O=C(NCc1ccc2occc2c1)NC[C@H]1CCN(c2ccc(F)cc2)C1 660469491 ZHFRCYNWKINGGA-MRXNPFEDSA-N 367.424 3.898 0 40 FHAB CC(C)n1cc([C@@H]2OCC[C@H]2NC(=O)N[C@H](C)C2CCC(F)CC2)cn1 666930080 WKTABCLOPBESPG-LXMUXBRDSA-N 366.481 3.510 0 40 FHAB Cc1cc(OC2CCN(C(=O)c3c(F)cccc3Cl)CC2)nc(C)n1 390826257 GOMUGAHQDGZLFB-UHFFFAOYSA-N 363.820 3.570 0 40 FHAB CC(C)CN(C(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 575422270 UKPALTDGINZVAY-HXUWFJFHSA-N 357.519 3.921 0 40 FHAB COc1cccc2cc(C(=O)N3CCC[C@]4(CCN4CC(C)C)C3)oc12 585102055 OWJAYCFOUXXANQ-NRFANRHFSA-N 356.466 3.778 0 40 FHAB CC(=O)N1CCN(C2CCCC2)C[C@@H](Cc2ccc3ncccc3c2)C1 1615192199 SHGIIFHDMZNHQG-IBGZPJMESA-N 351.494 3.500 0 40 FHAB COc1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)c1 5471015 PFBRJZHBUUJKBV-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB CCCC(=O)Nc1ccccc1SCc1cc(=O)n2ccsc2n1 15731985 RJKORGYEWJFRJM-UHFFFAOYSA-N 359.476 3.787 0 40 FHAB CCC(=O)N1CCC[C@](Cc2cccc(-c3cccc(F)c3)c2)(C(N)=O)C1 19498630 QBKNMWLXQDTJLM-JOCHJYFZSA-N 368.452 3.539 0 40 FHAB COc1ccccc1C(=O)N1CCC(c2nnc(-c3ccsc3)o2)CC1 19568649 NLNVISQYBSBNIM-UHFFFAOYSA-N 369.446 3.827 0 40 FHAB CN(C)CCCN(Cc1ccccn1)Cc1cccn1-c1ccc(F)cc1 19582211 BWJXHVGQQLHMQC-UHFFFAOYSA-N 366.484 3.965 0 40 FHAB CN(C)CCN(C)C1CCN(Cc2ccc(-c3cccc(F)c3)cc2)CC1 19582441 UTERUMYEXVACNS-UHFFFAOYSA-N 369.528 3.951 0 40 FHAB O=C(Nc1ccc(Cl)cc1Cl)c1cnc(-c2ccccc2)[nH]c1=O 19937232 LTQJFJFKJGZCTE-UHFFFAOYSA-N 360.200 3.996 0 40 FHAB COCCC1(c2nc(-c3cccc(N4CCCC4=O)c3)no2)CCCC1 546986186 FRJVZRTZGYITGF-UHFFFAOYSA-N 355.438 3.712 0 40 FHAB C[C@H](Cc1cc2c(cc1O)OCO2)[C@H](C)Cc1cc2c(cc1O)OCO2 14437576 INGQRUQCHRFZGR-VXGBXAGGSA-N 358.390 3.613 0 40 FHAB biogenic,in-vitro COc1ccc(Cl)c2sc(N3CC[C@@H](C(=O)NC(C)(C)C)C3)nc12 1889128299 BUSIGGPZZDPPOR-SNVBAGLBSA-N 367.902 3.699 0 40 FHAB COc1ccc(CCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1 29267225 GFLCPCVHHQTBEV-UHFFFAOYSA-N 352.434 3.503 0 40 FHAB c1nc(OCC2CCN(c3ccnc(C4CC4)n3)CC2)cc(C2CCC2)n1 1776000606 ANBWIZJUFSVDLZ-UHFFFAOYSA-N 365.481 3.707 0 40 FHAB CCCCC(=O)Nc1nnc(SCC(=O)Nc2ccc(F)cc2)s1 4078033 PHCOZQMAEGFADP-UHFFFAOYSA-N 368.459 3.537 0 40 FHAB CCc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2CC 4193367 SVYJEJNMZQPRMU-UHFFFAOYSA-N 359.422 3.556 0 40 FHAB Cc1cccc(C(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)c1 5259380 MMFGUKWLOIEKND-UHFFFAOYSA-N 374.444 3.541 0 40 FHAB CC1(C)C[C@]2(C[C@H](c3ccccc3)Oc3cc(O)ccc32)NC(=S)N1 8690937 LRBROLUCYAUOSF-XLIONFOSSA-N 354.475 3.758 0 40 FHAB Cc1ccc(-n2nc(C)c3c(=O)c(C(=O)Nc4ccccc4C)c[nH]c32)cc1 10166799 AYGCIGBTEPUFEG-UHFFFAOYSA-N 372.428 3.891 0 40 FHAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 16951813 XZTUSOXSLKTKJQ-VDJKCIMNSA-N 374.521 3.604 0 40 FHAB biogenic,in-vivo Cc1cc(OC[C@@H]2CCCN(C(=O)c3nc4ccccc4s3)C2)ccn1 1775970730 QAWGHDPGDUTHNS-OAHLLOKOSA-N 367.474 3.931 0 40 FHAB CSc1nc2ccc3nc(NC(=O)c4cnccn4)sc3c2s1 38535763 QUGUQCMOFGSZAE-UHFFFAOYSA-N 359.461 3.670 0 40 FHAB CC(=O)N1CCc2cc(C(=O)N[C@H]3CC(C)(C)Cc4oc(C)cc43)ccc21 40142589 MMABDSQKOJUPBL-SFHVURJKSA-N 366.461 3.941 0 40 FHAB O=C(CCc1nc(-c2ccccc2)no1)Nc1cccc(N2CCCC2)c1 40146370 VXJJUURXPQUPQL-UHFFFAOYSA-N 362.433 3.908 0 40 FHAB O=C(NCc1cccc2c1OCO2)c1cc(Br)ccc1Cl 40452228 BVGLCHIBYFRQOA-UHFFFAOYSA-N 368.614 3.761 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)o2)c(Br)c1 40432364 WYFUGVFLAJLDKF-NSHDSACASA-N 358.257 3.698 0 40 FHAB Cc1nn(-c2ccc(O)nn2)c2c1[C@@H](c1ccc(F)cc1Cl)CC(O)=N2 31819983 QHHLDUMKDBUOAU-LLVKDONJSA-N 373.775 3.592 0 40 FHAB Cc1c(C(=O)NCCC(=O)N2CCc3sccc3C2)oc2ccccc12 52023250 NVYZHUBJEDRNDO-UHFFFAOYSA-N 368.458 3.508 0 40 FHAB C[C@H]1C[C@H](OC(=O)c2ccc(-c3nc4ccccc4s3)s2)C(=O)O1 32736374 YJAFRGXJYNIBRD-ONGXEEELSA-N 359.428 3.886 0 40 FHAB COC(=O)[C@@H](c1ccc(F)cc1)N(C)Cc1ccc(SC)c(OC)c1 60356155 ZBCGTWDAYNWJHO-GOSISDBHSA-N 363.454 3.902 0 40 FHAB Cc1cc(C)cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1 3549816 CLVUGBAOGMRAMF-UHFFFAOYSA-N 360.460 3.569 0 40 FHAB COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)O[C@@H]1CC[C@H](C)[C@@H](C)C1 4066627 IYZGWKKKLLAJOX-CTQRGLTFSA-N 372.465 3.691 0 40 FHAB CCCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3F)CC2=O)cc1 4400679 JFAIQHGTSCJCHI-CQSZACIVSA-N 356.397 3.606 0 40 FHAB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(Cl)cc1Cl 6602287 DHYCNLGVZJNHHF-UHFFFAOYSA-N 351.233 3.979 0 40 FHAB C=Cn1nnc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)n1 10119660 DVMQCBXEZURVEM-UHFFFAOYSA-N 350.165 3.593 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)NCCSCc1ccc(C)cc1 8498878 UAGYOCXNFRPTIR-INIZCTEOSA-N 359.491 3.821 0 40 FHAB COc1ccccc1Nc1nnc(-c2cc3ccc(O)cc3oc2=O)s1 2956112 BEYROILCNWMJRA-UHFFFAOYSA-N 367.386 3.769 0 40 FHAB O=C1OC(c2ccccc2)=N/C1=C(/Sc1ncccn1)c1ccccc1 33336204 VUDYTRRZTOWZAE-WUKNDPDISA-N 359.410 3.941 0 40 FHAB CC(=O)C1=NN(c2ccccc2)[C@]2(SCC(=O)N2c2ccccc2)S1 624390 YRTPIDRFTQCOMM-GOSISDBHSA-N 369.471 3.534 0 40 FHAB CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3ccc(Cl)cc3)ccc21 12561967 IQZCDXSLWRUYDS-GFCCVEGCSA-N 357.841 3.688 0 40 FHAB Cc1ccc2oc(C(=O)/N=c3/ccccn3Cc3ccccc3)cc(=O)c2c1 104079840 LPDCFCXUBHXUOZ-GYHWCHFESA-N 370.408 3.692 0 40 FHAB CC(C)COc1ccc(C(=O)O[C@@H]2CC(C)(C)OC[C@@H]2CN(C)C)cc1 826072 SSALKHAQQLSWJX-PKOBYXMFSA-N 363.498 3.624 0 40 FHAB CCN1CCN(c2ccc(NC(=O)c3cccc(F)c3)cc2Cl)CC1 809778 IVTVJPLZMWAZDG-UHFFFAOYSA-N 361.848 3.873 0 40 FHAB COc1cc(C)c(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)cc1OC 23076370 WTCRXVFCXPNEOZ-QGZVFWFLSA-N 371.433 3.822 0 40 FHAB CC[C@@H](C(=O)Nc1cc(C)on1)N1CCC(C(=O)c2ccc(C)cc2)CC1 54297802 XJYCXPMYPRNPCL-SFHVURJKSA-N 369.465 3.603 0 40 FHAB CNC(=O)c1ccc(Cl)cc1NC(=O)c1cc(-c2ccccc2)no1 54213774 GNOOGHWIOQKYJU-UHFFFAOYSA-N 355.781 3.607 0 40 FHAB COC(=O)Nc1sc2c(c1C(=O)Oc1ccccc1)CC(C)(C)OC2 28443808 FACFMWHYAAZMLY-UHFFFAOYSA-N 361.419 3.997 0 40 FHAB Cc1ccc(-n2c(=O)c3c4c(sc3n3cnnc23)CCC[C@@H]4C)cc1 986211 HZLXYUFQPKPBNQ-LBPRGKRZSA-N 350.447 3.843 0 40 FHAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1cn2ccsc2n1 23531740 FGHZWRKJRYCHAA-UHFFFAOYSA-N 353.369 3.616 0 40 FHAB COc1ccccc1CCC(=O)OCc1nnc(-c2ccc(F)cc2)o1 24980683 KUCQXZDIVLQBAG-UHFFFAOYSA-N 356.353 3.560 0 40 FHAB COC(=O)c1ccccc1NC(=O)c1ccc(F)cc1Br 12692752 CRBQKZGYVMMGIS-UHFFFAOYSA-N 352.159 3.627 0 40 FHAB Cc1noc(C)c1CC(=O)N1CCC[C@H]1c1cccc(Br)c1 55785344 HLLFFBWSOLRVLP-INIZCTEOSA-N 363.255 3.960 0 40 FHAB COc1cc(Cl)c(C)cc1NCC(=O)Nc1ccc(NC(C)=O)cc1 3399634 MDBUTKWMGWRQRS-UHFFFAOYSA-N 361.829 3.666 0 40 FHAB CCCCNC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 2095841 IAWNJZPQYBHSJG-UHFFFAOYSA-N 351.402 3.755 0 40 FHAB biogenic COc1cccc([C@@H](NC(=O)Cc2ccccc2Cl)c2nccn2C)c1 29090965 INNQFXGWYRYDEP-LJQANCHMSA-N 369.852 3.530 0 40 FHAB Cc1ccsc1/C=C/C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 10028422 XFGVFVSGCCZFGQ-BQYQJAHWSA-N 369.490 3.882 0 40 FHAB CCN(CC)Cc1ccccc1CNC(=O)c1cc2c(C)nn(C)c2s1 10140999 NQNOPTLBXMAJPS-UHFFFAOYSA-N 370.522 3.715 0 40 FHAB CCOc1ccc(NC(=O)c2nc(SC)ncc2Br)cc1 27741948 QOMNNZFSEBPGLX-UHFFFAOYSA-N 368.256 3.612 0 40 FHAB CC(C)c1ccc(-c2nc(C(=O)N[C@H](C)CN3CCOC3=O)cs2)cc1 58438488 SFAGCRDVJXYISH-CYBMUJFWSA-N 373.478 3.504 0 40 FHAB O=C(Nc1nc(-c2ccc(Br)s2)cs1)c1cnccn1 10572994 QMXAZFFIDXLPIQ-UHFFFAOYSA-N 367.253 3.676 0 40 FHAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc(Br)cc1 10762206 ZTDDOSLLCCPVPO-UHFFFAOYSA-N 373.250 3.728 0 40 FHAB O=C1C[C@@H](c2ccc(C(=O)O)cc2)c2ncn(-c3ccc(Cl)cc3)c2N1 36358647 RAZLUZWPIYZOCX-HNNXBMFYSA-N 367.792 3.698 0 40 FHAB COc1ccccc1[C@H]1C[C@@H](c2ccccc2Cl)Nc2nc(N)nn21 2323366 VGTMWWUFYNXJNJ-LSDHHAIUSA-N 355.829 3.669 0 40 FHAB CC(C)(C)c1ccc(NC(=O)CSc2nnnn2C2CCCC2)cc1 12868851 HJPMURUQYGSGQH-UHFFFAOYSA-N 359.499 3.817 0 40 FHAB O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1nc2c(s1)CCCCC2 12829610 NUIKHNMVELFQIG-OAHLLOKOSA-N 373.503 3.854 0 40 FHAB Cc1ccc([C@H](CC(=O)O)NC(=O)Cc2ccc3c(c2)CCCC3)cc1 12886278 IRCYEUOLXYXORC-FQEVSTJZSA-N 351.446 3.749 0 40 FHAB CCc1cccc(N2C[C@H](C(=O)N[C@H](C)c3ccc(F)c(F)c3)CC2=O)c1 12825043 LDSUPPYBPLEIGR-CZUORRHYSA-N 372.415 3.758 0 40 FHAB CC[C@H](Oc1ccccc1C)C(=O)N(C)Cc1ccc(OC)c(OC)c1 22528458 GGQSYIFSJCELDP-KRWDZBQOSA-N 357.450 3.828 0 40 FHAB CC(=O)Nc1ccccc1OCC(=O)N1CCC(Cc2ccccc2)CC1 3445540 OQPLSMKHUPLWFK-UHFFFAOYSA-N 366.461 3.505 0 40 FHAB Cc1nc2ccc(NC(=O)c3ccc(Cn4ccccc4=O)o3)cc2s1 29415841 MOKQAYPKFALOAY-UHFFFAOYSA-N 365.414 3.660 0 40 FHAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c(OC)c1 12947017 RBVZEVFJMXXOBM-GOSISDBHSA-N 361.463 3.538 0 40 FHAB CN(CCOc1ccccc1F)C(=O)/C=C/c1cccc2cccnc12 12977500 FRTPOMHSWCLTRA-VAWYXSNFSA-N 350.393 3.925 0 40 FHAB c1csc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCCO3)c1 3896500 DWYSSAOOIQFNRP-UHFFFAOYSA-N 350.403 3.973 0 40 FHAB Cc1noc(C)c1C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl 5194363 FPIUNVMOPWQERR-SECBINFHSA-N 357.193 3.782 0 40 FHAB COc1cc(C(=O)Nc2ccc(Br)cn2)ccc1OC(F)F 6274907 SVGTYFXJYPGOOA-UHFFFAOYSA-N 373.153 3.706 0 40 FHAB C[C@H](NC1c2ccccc2-c2ccccc21)c1ccc(S(N)(=O)=O)cc1 13986990 QWEDRIVILCSXJX-AWEZNQCLSA-N 364.470 3.755 0 40 FHAB CC(C)(C)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 14166424 KLAIONHKPLUDQQ-HXUWFJFHSA-N 368.502 3.989 0 40 FHAB CC(=O)Nc1ccccc1OCC(=O)NC(c1ccccc1)c1ccccc1 5442524 PJPOOCIFXWURGE-UHFFFAOYSA-N 374.440 3.930 0 40 FHAB O=C(c1ccc(F)cc1)N1CCCC[C@H](Sc2ccc(O)cc2)C1=O 69268569 SSLIFACGPYDUJH-KRWDZBQOSA-N 359.422 3.845 0 40 FHAB COC(=O)c1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c1 14349085 NZVMBFWYZNKULE-UHFFFAOYSA-N 355.781 3.769 0 40 FHAB Cc1ccn2cc(C(=O)O[C@H](C)c3nnc(-c4cccs4)o3)nc2c1 6650082 FPLBKROHJKLZLX-LLVKDONJSA-N 354.391 3.672 0 40 FHAB Cc1noc(C)c1CN1CCC([C@@H]2CCCCCN2C(=O)C2CC2)CC1 70040869 ZJPJEGOZQGJADZ-FQEVSTJZSA-N 359.514 3.685 0 40 FHAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3cccc(F)c3)c12 14898371 WVOBEYZAORTATH-UHFFFAOYSA-N 350.353 3.928 0 40 FHAB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1ccc(Cl)cc1)CC3 6888975 FJHCBHWAPYKHPR-XFXZXTDPSA-N 352.777 3.692 0 40 FHAB COc1cc2c(cc1CNC[C@@H](c1ccco1)N1CCCCC1)O[C@@H](C)C2 25355207 XMPLALCPPFBONS-LPHOPBHVSA-N 370.493 3.928 0 40 FHAB Fc1ccc(-c2nnn3c2nc(NC[C@H]2CCCO2)c2ccccc23)cc1 67261436 MXSCTXFSEDJPIN-OAHLLOKOSA-N 363.396 3.675 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1C 7050205 MBTMXJCERJQXAR-INIZCTEOSA-N 355.463 3.529 0 40 FHAB CC(C)CCC[C@H](C)NC(=O)COC(=O)c1nc(Cl)ccc1Cl 69946856 OGHSZSBRASVRAS-NSHDSACASA-N 361.269 3.876 0 40 FHAB COc1ccccc1-c1cc(NS(=O)(=O)c2ccc(C)cc2C)n[nH]1 72313731 XYHBQROGHDUYKA-UHFFFAOYSA-N 357.435 3.503 0 40 FHAB O=C(/C=C/c1ccccc1OC(F)F)Nc1ccccc1N1CCOCC1 8706913 PLIYOVBDGXOOAQ-MDZDMXLPSA-N 374.387 3.777 0 40 FHAB COc1ncc(C)cc1NC(=O)N1CCC(N(C)c2ccccc2)CC1 84334381 BVCKJGVIXOMZBW-UHFFFAOYSA-N 354.454 3.531 0 40 FHAB COc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1 8986876 FVVGPTJZQUOQOC-NSHDSACASA-N 359.369 3.754 0 40 FHAB CC(=O)c1ccc(NC(=O)CCc2c(C)c3ccc(O)cc3oc2=O)cc1 9419825 VBMBOAHYJKURHW-UHFFFAOYSA-N 365.385 3.581 0 40 FHAB CCCCn1c(=N)n(C[C@@H](O)c2ccc(OCC)cc2)c2ccccc21 19854818 KWKHHNGAXLWMJS-HXUWFJFHSA-N 353.466 3.855 0 40 FHAB CCOC(=O)CCCSc1nc(-c2ccccc2Br)n[nH]1 9613633 IEEYJZPGUHWFBD-UHFFFAOYSA-N 370.272 3.670 0 40 FHAB COCc1c(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)oc2ccccc12 29836269 BBDJABXUMBDJBS-SFHVURJKSA-N 370.424 3.751 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(-n2ccnc2C)cc1 20492698 DJSUFNGCTULXRI-HXUWFJFHSA-N 367.424 3.794 0 40 FHAB COc1cc(C)c(S(=O)(=O)Nc2cccc(Br)c2)c(C)c1 29046162 HFXQGHKZEHIJMG-UHFFFAOYSA-N 370.268 3.875 0 40 FHAB COc1cccc(CNC(=O)c2ccccc2C(=O)c2ccc(F)cc2)c1 29686506 CKJKFSJAIZTUQO-UHFFFAOYSA-N 363.388 3.995 0 40 FHAB CCCc1nc(C(C)(C)NC(=O)c2cnc(-c3ccccc3)s2)no1 65575149 BLTSZEHGNBBQOL-UHFFFAOYSA-N 356.451 3.811 0 40 FHAB COc1ccc(O)c(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)c1 408627842 OIONQOIQWWNZGJ-UHFFFAOYSA-N 371.245 3.834 0 40 FHAB O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(Cc2ccccc2)CC1 39773317 SSZQZRDRPVIALD-UHFFFAOYSA-N 352.522 3.984 0 40 FHAB O=C(O)c1cc(C2CC2)nc2onc(Cc3ccc4c(c3)OCCCO4)c12 62710719 JJROGMUWCFHEEC-UHFFFAOYSA-N 366.373 3.551 0 40 FHAB COc1cccc(/C=C/C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 32238935 JCIKODRKMWPOGE-BBVFFXRHSA-N 356.491 3.723 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 219511424 XCAJZQLEOIMZCK-SJORKVTESA-N 357.450 3.663 0 40 FHAB Cc1cnccc1CN1Cc2ccccc2OC2(CCC(CO)CC2)C1 72334478 MGGUDKQXUQYXMW-UHFFFAOYSA-N 352.478 3.706 0 40 FHAB COc1ccc([C@@H](O)CNC(=O)CCc2ccc(-c3ccccc3)o2)cc1 31582232 DMJNOQFFUXZXOU-FQEVSTJZSA-N 365.429 3.738 0 40 FHAB COc1cccc(CC2(C(=O)N3CCc4cncnc4C3)CCCCC2)c1 563851083 KNANVTOWJMKUHB-UHFFFAOYSA-N 365.477 3.563 0 40 FHAB CCc1c(C)noc1-c1cnc(N2CCCCC2)nc1-c1cnc(C)cn1 72337656 OBJPXVMDCZGGLR-UHFFFAOYSA-N 364.453 3.758 0 40 FHAB COc1ccc(C(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)c(OC)c1 78968708 MEZCHWXBTMGZER-VWLOTQADSA-N 373.352 3.584 0 40 FHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCc1ccc(OC)c(OC)c1 30861057 NNLLGIPBKNXXGP-GOSISDBHSA-N 371.477 3.837 0 40 FHAB Cc1nc(C(=O)N2CCC[C@@H]2c2cncc(Oc3ccccc3)n2)co1 72384511 JVVIBAASBDHAND-QGZVFWFLSA-N 350.378 3.543 0 40 FHAB O=C(c1cc[nH]n1)N1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 72349807 IAJPNUNNLBZUPZ-INIZCTEOSA-N 364.424 3.554 0 40 FHAB O=C(O)c1ccc(F)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 223367973 PAOBCOSTLPRHKZ-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB Cc1ccc2oc(CCCC(=O)NCCOc3ccc(F)cc3)nc2c1 224950549 OUCWIHWPKFRPPV-UHFFFAOYSA-N 356.397 3.793 0 40 FHAB CCN(CC)CCC[C@@H](C)NS(=O)(=O)c1ccc2c3c(cccc13)CC2 226861969 MLEFCYUIOBTEDL-MRXNPFEDSA-N 374.550 3.727 0 40 FHAB Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C[C@@H]1CCCO1 223294207 JPDOXEMRVZTBDI-BPUTZDHNSA-N 359.520 3.603 0 40 FHAB Brc1ccc(OCC[C@@H]2CCCNC2)c(Br)c1 42772160 KTFIXTSUYXCLMV-JTQLQIEISA-N 363.093 3.980 0 40 FHAB Cc1ccc(CSCCNC(=O)CCc2ccc3c(c2)OCO3)cc1 222648516 FKACONXPIGWDRV-UHFFFAOYSA-N 357.475 3.706 0 40 FHAB O=C(NC[C@H]1CCC[C@@H](CO)C1)Nc1ccc(Oc2cccnc2)cc1 569964329 QJRBDXTWHJLJBD-JKSUJKDBSA-N 355.438 3.794 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1 224633917 HHZDUBZUNHPSCL-SFHVURJKSA-N 352.478 3.563 0 40 FHAB O=C(Nc1cnc(N2CCCC2)nc1)Nc1cccc(C(F)(F)F)c1 75161970 HKOPKYUJSDIRNR-UHFFFAOYSA-N 351.332 3.740 0 40 FHAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1ncccc1C)CC(C)(C)O2 225684512 BNTMHXCNYXUSRS-HNNXBMFYSA-N 357.479 3.987 0 40 FHAB C[C@H](NC(=O)c1cn2c3c(cccc3c1=O)C[C@H]2C)c1ccc(F)cc1 223098084 ICFFKGVBDPEMFZ-OLZOCXBDSA-N 350.393 3.749 0 40 FHAB Cc1ccc(OCC(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224696106 NPQVEQBSGCEKKS-UHFFFAOYSA-N 352.478 3.676 0 40 FHAB CCCOCc1cc(C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OC 224416503 KLBNBRVEGVBJQK-UHFFFAOYSA-N 356.422 3.833 0 40 FHAB CCOc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2Cl)cc1 44840884 DNANTBSGZUMAMO-ZDUSSCGKSA-N 353.871 3.919 0 40 FHAB CCc1ccccc1NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 223076621 ADYBJBMXRCOAST-UHFFFAOYSA-N 364.492 3.730 0 40 FHAB COc1ccc(O[C@@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 224155780 RPBDTSQVCIHBTB-INIZCTEOSA-N 371.477 3.955 0 40 FHAB O=C1CC2(CCN(C(=O)c3ccccc3)CC2)Oc2cc(Cl)ccc21 225826544 FEEZDSAWZFJFLO-UHFFFAOYSA-N 355.821 3.980 0 40 FHAB Cn1cc(C(=O)N[C@H]2CCCc3c2[nH]c2ccccc32)c2ccccc2c1=O 96232506 HGQHDICSDYINNC-FQEVSTJZSA-N 371.440 3.827 0 40 FHAB Cc1cccc(NC(=O)N2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)c1 96238683 JZWJQGJYJQXPHX-NRFANRHFSA-N 367.424 3.795 0 40 FHAB CC(C)(C)c1ncc(C(=O)N2CCc3c(CN4CCCC4)cccc32)cn1 585083052 XUHVJFUHJZHRGH-UHFFFAOYSA-N 364.493 3.573 0 40 FHAB Cc1cccc(C(=O)N2CCC[C@H](c3ccnc(Nc4ccccn4)c3)C2)n1 257342698 ZPTREGAUMAMZRB-SFHVURJKSA-N 373.460 3.943 0 40 FHAB COC(C)(C)C(=O)N1CCC[C@H](c2nccnc2Oc2ccccc2F)C1 257341636 ZLGGNUQUHJEOFS-AWEZNQCLSA-N 373.428 3.539 0 40 FHAB Cc1ccsc1C(=O)N1CCC2(CC1)OCC[C@@H]2CCOCC1CC1 253598704 RIJSQXZXUKHLIE-KRWDZBQOSA-N 363.523 3.885 0 40 FHAB COc1cc(S(=O)(=O)Nc2cc(C)cc(C)c2)c(OC)cc1Cl 1776004655 WOOXGFJCEKXVBK-UHFFFAOYSA-N 355.843 3.775 0 40 FHAB COc1ccc(CCCCc2nc(CC(=O)Nc3ccccc3)no2)cc1 109550464 FOLPXIZUJKYERR-UHFFFAOYSA-N 365.433 3.825 0 40 FHAB O=S1(=O)[C@@H](c2ccccc2)CCN1Cc1cccc(OC(F)(F)F)c1 650322320 QNMFPFPWMBUTFD-MRXNPFEDSA-N 371.380 3.862 0 40 FHAB CON1CCC(CC(=O)Nc2nc3ccccc3n2C2CCCC2)CC1 669092318 MPEJISADMHJPHK-UHFFFAOYSA-N 356.470 3.753 0 40 FHAB COc1ccc(OC)c(C(=O)N[C@@H]2CCCc3cn(C4CCCC4)nc32)c1 679551718 CYODISIQDNQALF-GOSISDBHSA-N 369.465 3.823 0 40 FHAB CCn1nc(C(=O)Nc2ccccc2CSC)c(=O)c2ccccc21 546768703 YKVUHYCHDXRUCO-UHFFFAOYSA-N 353.447 3.532 0 40 FHAB CCCCC[C@](C)(O)/C=C/[C@@H]1[C](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 1560405348 JRGCBOGTKOYSRN-CWPKATCVSA-N 367.506 3.977 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC)cc1OC 936256 TZBKSWJZBPHSIC-ZRDIBKRKSA-N 355.390 3.532 0 40 FHAB O=C(COC(=O)Cc1cccs1)Nc1ccc(SC(F)F)cc1 5786714 HXKURAQIAUHTGX-UHFFFAOYSA-N 357.403 3.787 0 40 FHAB CCCOc1c(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cccc1OC 5000794 IZNHBQWXAIUAOD-GHRIWEEISA-N 367.401 3.837 0 40 FHAB COc1cccc(C2=NO[C@H](C(=O)Nc3ccccc3SC)C2)c1OC 5030104 OHNYQUROOJZWKY-INIZCTEOSA-N 372.446 3.557 0 40 FHAB CCOC(=O)C[C@H]1C[C@H]2c3cc(OC)c(OC)cc3CCN2C[C@@H]1CC 5410486 YHIDMIJOSAPVSE-LESCRADOSA-N 361.482 3.602 0 40 FHAB CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2C)ccc1C 12526069 RHROZXHJVVITNN-OAHLLOKOSA-N 360.479 3.633 0 40 FHAB COCCNc1nc2sc3c(c2c2nc(-c4ccccc4)nn12)CCC3 13719724 MXHQTKFDPPSFCW-UHFFFAOYSA-N 365.462 3.553 0 40 FHAB COc1ccc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2ccc(C)cn2)cc1 19215708 CNENXFOFFMTBJF-QIDMFYOTSA-N 352.478 3.518 0 40 FHAB Fc1ccc(CN(Cc2ccnn2[C@@H]2CCCCO2)C[C@@H]2CCCO2)cc1 19333677 ZHMOEUXCENPZSA-SFTDATJTSA-N 373.472 3.903 0 40 FHAB Cc1ccc(C)c(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)c1 19937597 PMZQAERLXRBLNW-UHFFFAOYSA-N 367.836 3.888 0 40 FHAB COc1cccc(/C=C2/C(=O)N(Cc3ccco3)SC2=S)c1OC 1563172 BOCNMUWMPRSEBB-LCYFTJDESA-N 361.444 3.698 0 40 FHAB C[C@@H](OC(=O)c1cc2ccccc2c(=O)[nH]1)C(=O)c1ccc(Cl)cc1 9313832 AVNWDFXWWLURBU-LLVKDONJSA-N 355.777 3.610 0 40 FHAB CCc1cccc2sc(NC(=O)c3ccc(S(C)(=O)=O)cc3)nc12 4518071 DBWAEGVOOFCLOR-UHFFFAOYSA-N 360.460 3.515 0 40 FHAB O=C(Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2)c1ccc(F)c(F)c1 9037985 HPGYYMQJRHVKER-UHFFFAOYSA-N 356.372 3.512 0 40 FHAB COc1ccc(Nc2nn3c(=O)c4cc(Cl)ccc4nc3s2)cc1 16840472 UHLONEDGXFFYLW-UHFFFAOYSA-N 358.810 3.710 0 40 FHAB Cc1nn(CCNC(=O)CSCc2ccccc2)c(C)c1-c1ccco1 585148414 HRFAATDOOTVJTF-UHFFFAOYSA-N 369.490 3.810 0 40 FHAB COc1ccc(OC)c(CNCc2ccccc2OCc2cccnc2)c1 30629585 QCHPIQGSJFOGHN-UHFFFAOYSA-N 364.445 3.968 0 40 FHAB COc1ccc(OCCSc2nnc(C3CC3)n2Cc2ccco2)cc1 40159142 GUBYPTPHRHPCCQ-UHFFFAOYSA-N 371.462 3.977 0 40 FHAB O=C(NCc1cccc(NC(=O)c2cccnc2)c1)c1ccc(Cl)cc1 30668120 MGNHJUZLYZEESV-UHFFFAOYSA-N 365.820 3.917 0 40 FHAB COc1c2c(cc3c1[C@H](n1c(C)cc4ccccc41)N(C)CC3)OCO2 20111891 QALWOCBAGFCWCP-NRFANRHFSA-N 350.418 3.722 0 40 FHAB biogenic C[C@@H](NC(=O)c1ccccc1I)[C@@H]1C[C@H]2CC[C@H]1C2 102186454 PTUYHISFNRTITL-UHXUPSOCSA-N 369.246 3.846 0 40 FHAB Cn1c(=O)c(-c2cccc(C(F)(F)F)c2)c(-n2cnnc2)c2ccccc21 707768 AFZYXRNWJFQXHX-UHFFFAOYSA-N 370.334 3.805 0 40 FHAB COc1ccc([C@H](O)c2ccccc2[C@@H](O)c2ccc(OC)cc2)cc1 1734090 DCINNCYBGGDENL-VXKWHMMOSA-N 350.414 3.867 0 40 FHAB CCCCNC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 2071314 FMPUPYVQEYQLBJ-UHFFFAOYSA-N 362.355 3.945 0 40 FHAB Cn1nc(-c2cccs2)cc1C(=O)Nc1nc(-c2ccccn2)cs1 79481387 JDBMGSCFXPFSLA-UHFFFAOYSA-N 367.459 3.919 0 40 FHAB CC(=O)N(c1ccc(Cl)cc1)[C@H]1SC(=O)N(c2ccccc2)C1=O 3108459 ROBPUDDWIIZJPY-INIZCTEOSA-N 360.822 3.919 0 40 FHAB CCn1c(SCC(=O)N2CCCc3ccccc32)nc2cccnc21 4092680 ZSVLCFSQYCVBPU-UHFFFAOYSA-N 352.463 3.523 0 40 FHAB COc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(CC(N)=O)cc1 52640737 VFUSMNIORUHMSR-UHFFFAOYSA-N 366.442 3.704 0 40 FHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)n1nnc(-c2ccccc2)n1 32911266 PNFLVPBNRCLXRX-JTQLQIEISA-N 362.220 3.847 0 40 FHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1 7381109 IDHBQJZXDVNYKO-LJQANCHMSA-N 358.869 3.846 0 40 FHAB COC1CCC(C(=O)N2[C@H]3CC[C@@H](C3)[C@@H]2COc2ccc(F)cc2)CC1 100113228 POGHJNLVWXXZDE-QIAKOSRCSA-N 361.457 3.789 0 40 FHAB O=C(NCc1coc(-c2cccs2)n1)c1ccc(OC(F)F)cc1 10869780 CRMFZAFPUIGMLA-UHFFFAOYSA-N 350.346 3.935 0 40 FHAB COc1ccc2c(c1)CCCN2C(=O)c1cccc(OC[C@@H]2CCCO2)c1 22614808 KCUQPFBESJJYHJ-FQEVSTJZSA-N 367.445 3.846 0 40 FHAB CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1 9062083 SMVPVVMHFUYGPR-UHFFFAOYSA-N 364.405 3.974 0 40 FHAB COc1ccc(OC)c(NC(=O)CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 9154911 DTSRVLDEAYUWKX-HIGJEIRPSA-N 372.509 3.837 0 40 FHAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccc(Cl)cc3F)c2)n1 47317392 RTBYQUHLKYROIA-UHFFFAOYSA-N 357.772 3.790 0 40 FHAB Cc1noc(C2CCN(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)CC2)n1 61855158 CFKJKXUGPSCPPK-AWEZNQCLSA-N 368.481 3.907 0 40 FHAB Cc1cccc(C)c1N1C(=O)C[C@H](Nc2ccccc2Br)C1=O 101275559 WKKMIVXXKLIUPB-HNNXBMFYSA-N 373.250 3.810 0 40 FHAB COc1ccc(-c2noc(CSc3ncc4ccccn34)n2)c(OC)c1 12529939 LHOBUIWRTYMBFU-UHFFFAOYSA-N 368.418 3.694 0 40 FHAB C[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccccc1Cl 25455140 IAZMBLJMRFTCRS-CQSZACIVSA-N 356.853 3.953 0 40 FHAB O=C1CCCN1Cc1ccc(C(=O)N2CCC[C@H]2c2cccs2)cc1 25453379 GLFLXMDOUMCDCI-KRWDZBQOSA-N 354.475 3.848 0 40 FHAB COc1ccc(S[C@@H](C)C(=O)NCCCc2ccccc2)cc1OC 20106313 FRZTTWBRVIUWMC-HNNXBMFYSA-N 359.491 3.933 0 40 FHAB CC[C@@H](C(=O)OCC(=O)Nc1ccccc1OC(F)F)c1ccccc1 3283956 DFPRSBMJXWDXDL-CQSZACIVSA-N 363.360 3.964 0 40 FHAB CC(C)c1nnc(NC(=O)c2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)s1 27995299 ACXAEVWNWCUIFC-JTQLQIEISA-N 370.434 3.892 0 40 FHAB Cn1cc(-c2nc(C(=O)Nc3cc(F)cc(N4CCCC4)c3)cs2)cn1 58193051 KEJVSLKAEISEAO-UHFFFAOYSA-N 371.441 3.535 0 40 FHAB CC[C@@H](CNC(=O)CCn1c(=O)n(CC)c2ccccc21)c1ccccc1 27014574 WYLNQCDMVRNEHK-KRWDZBQOSA-N 365.477 3.523 0 40 FHAB Cc1ccc(N2C(=O)N(CC(=O)c3cc(C)ccc3C)C(=O)[C@H]2C)cc1 3323527 MTUGHEPODGNLFD-MRXNPFEDSA-N 350.418 3.652 0 40 FHAB C[C@@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(F)cc1F 10842196 RKQVYUDVEMVVCR-LLVKDONJSA-N 359.376 3.752 0 40 FHAB O=C(NCCc1cn2ccccc2n1)N1CCC[C@H]1c1ccc(F)cc1 45425018 AKLJAYPLDXJECN-SFHVURJKSA-N 352.413 3.563 0 40 FHAB C[C@@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccccc1 12870799 SKCSAGNYQGUQOT-QFQMRYFISA-N 362.473 3.816 0 40 FHAB Cc1cccc(-n2nnnc2SCC(=O)c2ccc(Cl)s2)c1 3412731 JUXIOEXIINZEBL-UHFFFAOYSA-N 350.856 3.661 0 40 FHAB Cc1nc2c3ccccc3nc(SCC(=O)c3ccc(F)cc3F)n2n1 8706039 MSMSGYAKORHENX-UHFFFAOYSA-N 370.384 3.839 0 40 FHAB CCn1c(SCc2nnc(-c3cccc(OC)c3)o2)nnc1C(C)C 20034460 RIOGPZNVIVDYMK-UHFFFAOYSA-N 359.455 3.772 0 40 FHAB O=C(Nc1ccccc1)N(c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 4158641 AHGCWOIPNJEAKJ-INIZCTEOSA-N 364.854 3.566 0 40 FHAB CN1CCN(C(=S)c2cn(Cc3ccccc3F)c3ccccc23)CC1 4140364 YVYHCWGKGKFTBR-UHFFFAOYSA-N 367.493 3.752 0 40 FHAB COc1ccc2[nH]cc(CCNC(=O)c3cc4cccc(OC)c4o3)c2c1 13725802 FYNKQZXFKAVICD-UHFFFAOYSA-N 364.401 3.904 0 40 FHAB O=C(C1CCC(Cn2cnc3ccccc3c2=O)CC1)N1CCCCCC1 5245516 SBQQNBHARIPYMS-UHFFFAOYSA-N 367.493 3.606 0 40 FHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(C)c(C)c2)cc1OC 6407148 YFTVJMLSCRWYKU-JXMROGBWSA-N 369.417 3.516 0 40 FHAB CC(C)(C)c1ccc(CCC(=O)N2CCN(c3nccs3)CC2)cc1 14170149 LSXZMXJJRIYWLV-UHFFFAOYSA-N 357.523 3.722 0 40 FHAB Cc1nnc(NC(=O)[C@@H](C)SCc2ccc(Br)cc2)s1 14199219 YQGNYXRSHSDEBQ-MRVPVSSYSA-N 372.313 3.869 0 40 FHAB CCc1ccccc1N1C[C@@H](C(=O)Nc2cccc3cccnc23)CC1=O 14184560 HMXLKCSUPUAOEJ-KRWDZBQOSA-N 359.429 3.789 0 40 FHAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1 14247044 ZJKFDQLHXRXQFS-ZUZCIYMTSA-N 353.296 3.752 0 40 FHAB Cc1ccccc1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 14245147 FCVQIFQEKCFYJG-UHFFFAOYSA-N 353.447 3.694 0 40 FHAB CCS(=O)(=O)c1nc2ccccc2n1CCOc1ccc(Cl)cc1 4649928 SHLDEWIECHCEQR-UHFFFAOYSA-N 364.854 3.562 0 40 FHAB O=C([C@@H](Oc1ccc(-c2nnco2)cc1)c1ccccc1)N1CCCCC1 5505374 WHZCFOXESUJXHC-IBGZPJMESA-N 363.417 3.869 0 40 FHAB CCc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)cc1 6604195 XKOSZZNDFYXDMJ-HXUWFJFHSA-N 370.836 3.552 0 40 FHAB Cc1noc(C)c1C(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 6657584 YNFRGNOQJUFUMR-GOSISDBHSA-N 360.417 3.882 0 40 FHAB O=C(CCc1nc(-c2ccccc2)no1)Nc1ccc2c(c1)OC(F)(F)O2 19358488 BKLADLURKOTQIZ-UHFFFAOYSA-N 373.315 3.629 0 40 FHAB COc1ccc2nc(SCC(=O)Nc3ccnn3C3CCCC3)[nH]c2c1 8013470 UWRYYWWBNPZTTM-UHFFFAOYSA-N 371.466 3.614 0 40 FHAB CCC[C@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccccc1 8345178 QRUXYOQVEYNVPQ-IBGZPJMESA-N 365.477 3.648 0 40 FHAB Nc1nc(SCC(=O)N[C@H]2CCCc3ccccc32)nc2sccc12 9743640 WRNAOZAULWGETP-AWEZNQCLSA-N 370.503 3.559 0 40 FHAB O=S(=O)(c1ccc(N2CCc3[nH]c4ccccc4c3C2)cc1)C(F)F 84593433 JKVHKESLCKYHDL-UHFFFAOYSA-N 362.401 3.727 0 40 FHAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(-c3ccc[nH]3)cc2)c1 95460470 ZPCNJXMKMMRUQO-UHFFFAOYSA-N 370.430 3.578 0 40 FHAB CCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)C1=O 409107823 RALRNJDYXVENRA-XNTDXEJSSA-N 357.387 3.789 0 40 FHAB Cc1csc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)n1 9908723 FKIHVZJOAWDRIX-FYMRZPMTSA-N 373.522 3.597 0 40 FHAB Cc1cccc(C2=NN(C(=O)[C@@H]3CCCO3)[C@@H](c3cccc(F)c3)C2)c1 89669277 SRZASRAURGAUFA-UXHICEINSA-N 352.409 3.991 0 40 FHAB Cc1ccc(C(=O)N2CC[C@H](N(C(=O)c3ccc(C)s3)C3CC3)C2)s1 89656249 WWZMJRQMLTWGSN-HNNXBMFYSA-N 374.531 3.946 0 40 FHAB COc1ccc(CNC(=O)CSCc2cccc(Cl)c2)cc1OC 20461120 YTQFBCSYBKURKO-UHFFFAOYSA-N 365.882 3.907 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)Oc3cccc4cccnc34)CC2=O)cc1C 408650782 BRAANOTVXBKWDP-QGZVFWFLSA-N 360.413 3.810 0 40 FHAB COc1cc(Cl)c(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1OC 409087830 ZWQXEBBZHXOAJI-ZSOIEALJSA-N 364.829 3.583 0 40 FHAB CCc1ccccc1NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 409383897 NZTKAFIBLHSQJH-MRXNPFEDSA-N 374.506 3.659 0 40 FHAB O=C1N/C(=C/c2cc(Br)cs2)C(=O)N1Cc1ccccc1 409236121 RDPQVDPXSIXJMC-NTUHNPAUSA-N 363.236 3.604 0 40 FHAB COc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccc(F)cc3)n2)cc1 67898787 BZUWEDUZFRMWRF-FQEVSTJZSA-N 367.424 3.798 0 40 FHAB biogenic,in-vitro O=C(Nc1cccc(OC2CCCC2)c1)[C@@H]1CC(=O)N(C2CCCC2)C1 31206118 JXFWJFLXNXIBPD-OAHLLOKOSA-N 356.466 3.738 0 40 FHAB Cc1cc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c2c(C)noc2n1 35686477 PWLOUWREQKLHPW-UHFFFAOYSA-N 368.824 3.947 0 40 FHAB O=C(Cc1cccnc1)N1CCC[C@@H]1c1n[nH]cc1-c1ccccc1F 72380322 ACDQGJZVCGELPG-GOSISDBHSA-N 350.397 3.517 0 40 FHAB O=C(NC1CCCC1)c1ccc2c(=O)n(-c3cccc(Cl)c3)cnc2c1 32092796 OWWDSDSVWFEEQQ-UHFFFAOYSA-N 367.836 3.712 0 40 FHAB Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)CC(C)C)nc2c1 33067972 VWCURKSHAHDXNZ-UHFFFAOYSA-N 365.433 3.567 0 40 FHAB Cc1nc(N2CCOCC2)ccc1[C@H]1CCCCN1Cc1ccccc1 72219652 GYTSBRYFHDEDEP-OAQYLSRUSA-N 351.494 3.954 0 40 FHAB COc1cc(NC(=O)[C@@H](C)Sc2nc3ccccc3[nH]2)cc(OC)c1 48263271 CCPGSYNOBYJSHP-LLVKDONJSA-N 357.435 3.699 0 40 FHAB COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1 44933113 WDVLMUIGDYQGME-XLIONFOSSA-N 352.478 3.785 0 40 FHAB COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1C 223254691 YGCVHNNYTYDHAO-OAHLLOKOSA-N 359.491 3.840 0 40 FHAB CCCc1ccc(OCCNC(=O)CCc2ccc3c(c2)OCCO3)cc1 224944019 MUBNKYYAIDAXOI-UHFFFAOYSA-N 369.461 3.538 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCN1CCCCCC1 224989132 RGVNECGNBAREEF-UHFFFAOYSA-N 352.906 3.880 0 40 FHAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCO[C@H](C)C1 45810021 ABHNKEACXBOKAL-SNVBAGLBSA-N 370.396 3.998 0 40 FHAB CCc1ccc(CS(=O)(=O)N2CCC[C@H]2c2csc(C)n2)cc1 330214330 LPJWPHSCXCPRRM-KRWDZBQOSA-N 350.509 3.681 0 40 FHAB N[C@H](c1ccc(Cl)cc1)c1nc(-c2ccc(Br)o2)n[nH]1 95534039 ZLCCVVLRLTYMOO-LLVKDONJSA-N 353.607 3.529 0 40 FHAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cccc(O)c2)S1 96118449 XZURIBFKYHJOOC-CZUORRHYSA-N 373.478 3.898 0 40 FHAB Cc1cc(OCCN(C)C)ccc1NC(=O)c1ccncc1C(F)(F)F 585082082 ZYLKFCLDMPFYCQ-UHFFFAOYSA-N 367.371 3.602 0 40 FHAB Cc1cc(-c2nc(C)c[nH]2)nc([C@H]2CCCN2C(=O)c2cccs2)n1 257268209 MKSJEKFNINKLNQ-CQSZACIVSA-N 353.451 3.522 0 40 FHAB CC(=O)N1CCC[C@H](Cc2cncc(-c3cnc(CC(C)C)s3)n2)C1 257275950 NRQZFZADIPDOMN-OAHLLOKOSA-N 358.511 3.600 0 40 FHAB Cc1nc(-c2ccc(C(=O)O)cc2)cc([C@@H]2CCN(C(=O)C(C)(C)C)C2)n1 257219814 DIGKQDURGIUQBQ-MRXNPFEDSA-N 367.449 3.512 0 40 FHAB Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCC3)n(Cc2ccccc2)n1 589269526 IHJNICGCFRBGDA-UHFFFAOYSA-N 367.474 3.529 0 40 FHAB COc1ccc(NS(=O)(=O)c2cc(Br)c(C)cc2C)cc1 1775971072 CZCFMXHSRCXQIY-UHFFFAOYSA-N 370.268 3.875 0 40 FHAB Cn1ncc(C2CCC2)c1C(=O)Nc1cc(F)c(F)cc1Br 622830279 FUBVOIWFYUZVFY-UHFFFAOYSA-N 370.197 3.981 0 40 FHAB Fc1cc(F)cc(-c2nsc(N3CCC[C@@]4(CCCOC4)C3)n2)c1 645183218 WZKVQAQNPUEPBA-QGZVFWFLSA-N 351.422 3.880 0 40 FHAB CC(C)c1ccc(O[C@@H](C)CNC(=O)N2CCC(O)(C3CC3)CC2)cc1 585099417 FOIDKZNKJLYNPJ-INIZCTEOSA-N 360.498 3.524 0 40 FHAB O=C([C@H]1Cc2ccc(F)cc21)N1CCOc2ccc(C(F)(F)F)cc21 684463435 YSHMXPWQZRMJJR-AWEZNQCLSA-N 351.299 3.910 0 40 FHAB Cc1noc([C@@H]2CCCN(C(=O)NCc3cccc(OCC(C)C)c3)C2)n1 58363500 AZAOWRWUAMSXBF-QGZVFWFLSA-N 372.469 3.502 0 40 FHAB Cc1csc(C2(NC(=O)c3cc4c(cc3F)NC(=O)CC4)CCCC2)n1 84268204 XNXCPPFHYZMDIQ-UHFFFAOYSA-N 373.453 3.675 0 40 FHAB CN(Cc1cc(O)ccc1Cl)[C@H](CO)c1cccc(Br)c1 1657823296 XOFZWFNFAMQWMC-MRXNPFEDSA-N 370.674 3.974 0 40 FHAB NCCNc1nc(COc2ccccc2)nc2sc3c(c12)CCCC3 13998641 OUMOFBLWKOOUGT-UHFFFAOYSA-N 354.479 3.520 0 40 FHAB O=c1cc([C@@H]2CCCCN2Cc2ccc(F)cc2)nc(-c2ccncc2)[nH]1 19334146 PJIMHKNSVWFAGN-IBGZPJMESA-N 364.424 3.698 0 40 FHAB CCC(=O)N1CCC([C@@]2(C)CCCCN(CCc3ccccc3)C2=O)CC1 19744967 QSMGDTIHXXRUGP-HSZRJFAPSA-N 370.537 3.897 0 40 FHAB COc1ccc(/C=C/C(=O)N(C)Cc2nc3ccccc3s2)cc1OC 8244111 GCOWWRGCLPDGJT-PKNBQFBNSA-N 368.458 3.985 0 40 FHAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1 8371557 LGZFMFPWKQMKTP-CXUHLZMHSA-N 370.405 3.809 0 40 FHAB O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1ccc2c(c1)OCO2 4589198 QGUATBJTUDYXDL-QPEQYQDCSA-N 372.174 3.522 0 40 FHAB COc1cccc(CN2C(=O)C[C@](C)(c3ccc(F)cc3)C2=O)c1Cl 664037555 CCKUIOVVPBIONK-LJQANCHMSA-N 361.800 3.705 0 40 FHAB COc1ccc(O)c(C(=O)c2cnc3c(c2)c(C)nn3-c2cccc(C)c2)c1 6936483 DXHQCXCPTGVYHU-UHFFFAOYSA-N 373.412 3.983 0 40 FHAB O=c1oc2ccccc2cc1S(=O)(=O)c1ccc(Cl)c(Cl)c1 15830792 ISTWXQSAGUFILO-UHFFFAOYSA-N 355.198 3.933 0 40 FHAB COc1cccc(-n2ccnc2SCC(=O)Nc2ccc(C)cc2)c1 2723127 YGJXGGHXMCVABW-UHFFFAOYSA-N 353.447 3.920 0 40 FHAB NC(=O)c1oc2ccccc2c1NC(=O)CCSc1ccc(F)cc1 4496848 XILJHQYGWNJACP-UHFFFAOYSA-N 358.394 3.792 0 40 FHAB CC(=O)N[C@@H]1C(=O)N(CCCOc2ccc(C)cc2)c2ccc(Cl)cc21 8048035 VELSOHBGARBYKK-IBGZPJMESA-N 372.852 3.641 0 40 FHAB CC(=O)N(C)Cc1nc2ccccc2n1Cc1ccc(Br)cc1 9250262 NBVSTSYFWAWKAX-UHFFFAOYSA-N 372.266 3.825 0 40 FHAB O=C(CCSc1ccc(Cl)cc1)Nc1nnc(-c2cccnc2)o1 10250716 YFTMXQADMXSPSF-UHFFFAOYSA-N 360.826 3.906 0 40 FHAB CCc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3F)c2)cc1 15883153 CHBRIIFBYBLZSE-UHFFFAOYSA-N 350.393 3.850 0 40 FHAB O=C(Cc1ccc2c(c1)OCO2)N1CCCC[C@H](c2ccc(F)cc2)C1 206874039 PLZOCUZYOMISOK-KRWDZBQOSA-N 355.409 3.893 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](Oc2ccncc2Cl)C1 575613417 QMTLGUPQMZQYOH-OAHLLOKOSA-N 369.852 3.829 0 40 FHAB O=C(Nc1nnc(-c2ccc(Br)s2)o1)c1cccc(F)c1 11695438 BJKPCTQDBNUXDB-UHFFFAOYSA-N 368.187 3.952 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1C(=O)O 12804893 RKGKLPZBSXMROC-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccccc2[C@H](O)c2ccccc2)cc1 4833439 UXRSBYYQHJSRHW-HXUWFJFHSA-N 353.443 3.878 0 40 FHAB CCOCc1ccccc1CNC(=O)c1ccc(-n2nc(C)cc2C)cc1 30179572 SLWOVQITHKBRGB-UHFFFAOYSA-N 363.461 3.956 0 40 FHAB CC(C)[C@H](NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccccc1 40131618 RQVJTFXVXDYIEC-APWZRJJASA-N 372.900 3.860 0 40 FHAB CCCCSCC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 31982621 XJTGRSLJKLJSHO-UHFFFAOYSA-N 355.525 3.875 0 40 FHAB COC(=O)c1c(C)[nH]c(-c2ccco2)c1[C@@H]1C(=O)Nc2ccc(F)cc21 101628115 KZEVRJDOAUNNGX-OAHLLOKOSA-N 354.337 3.593 0 40 FHAB C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1cccc(F)c1 32755138 LNCDIZCATUBSAX-HIFRSBDPSA-N 360.454 3.617 0 40 FHAB CC(=O)Nc1ccc(NCC(=O)NCC2CCCCC2)c(C(F)(F)F)c1 32770317 HNHBNZAFLHHEEA-UHFFFAOYSA-N 371.403 3.772 0 40 FHAB CCc1cccc(CC)c1NC(=O)[C@@H](C)Sc1nc2c(c(=O)[nH]1)CCC2 11902907 YRYWGRXKJWWOEK-GFCCVEGCSA-N 371.506 3.503 0 40 FHAB CCC(CC)NC(=O)CSc1nc(C)nc2c1cnn2-c1ccccc1 2638125 QOVVUOLAHDFOJF-UHFFFAOYSA-N 369.494 3.521 0 40 FHAB COc1cc([C@H]2Nc3c(C)cccc3-c3cc(C)nn32)cc(OC)c1O 627822 YQZUQNYUYYFDEN-FQEVSTJZSA-N 351.406 3.862 0 40 FHAB O=C([C@@H]1C[C@H]2CC[C@@H]1C2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 759258 NUGNDGUTWSCSFP-JJRVBVJISA-N 352.400 3.790 0 40 FHAB Cn1c(CNc2ccc(F)cc2)nnc1SCC(=O)c1ccccc1 874039 LFLDRGOWTWLONP-UHFFFAOYSA-N 356.426 3.541 0 40 FHAB Cc1csc(NC(=O)CSc2nnc3c(C)cc4ccccc4n23)n1 877067 FRMDEDNBJKDLHI-UHFFFAOYSA-N 369.475 3.687 0 40 FHAB COc1cccc(CC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)c1 32895177 MOLOTWZAEUOQBU-SFHVURJKSA-N 355.434 3.619 0 40 FHAB CCOc1ccc(-c2nc(C(=O)Nc3ccc(OC)nc3)cs2)cc1 32817771 NDRSODGXOJRHGB-UHFFFAOYSA-N 355.419 3.865 0 40 FHAB CCCN1[C@H]2CCC[C@H]1CC(NC(=O)c1ccc(Br)cc1)C2 1369962 SCKFSSSZHLIFAQ-IRXDYDNUSA-N 365.315 3.974 0 40 FHAB Cc1ccccc1NC(=O)N1CCC(n2nnc3cc(F)ccc32)CC1 1380762 BMYGZGFWFNQBGI-UHFFFAOYSA-N 353.401 3.748 0 40 FHAB CCc1c(C(=O)N[C@H](C)c2ccc3c(c2)OCCCO3)[nH]c(C)c1C(C)=O 52509889 MMALLABMORFHJJ-GFCCVEGCSA-N 370.449 3.740 0 40 FHAB C[C@H](NC(=O)COc1ccc(Br)cc1)c1ccc(F)cc1 3514817 GTYHSENCJUICRW-NSHDSACASA-N 352.203 3.844 0 40 FHAB O=C(Nc1ccc(F)c(F)c1F)[C@H]1CCCCN1C(=O)c1cccs1 32905819 GOXRNIUHDVFWAP-GFCCVEGCSA-N 368.380 3.799 0 40 FHAB C[n+]1ccc(/C=C/c2cn(CC(=O)NCc3ccco3)c3ccccc23)cc1 4932905 PJTKVBXSSPWWSE-UHFFFAOYSA-O 372.448 3.546 0 40 FHAB CCOc1ccc(CNC(=S)Nc2ccc(OC)cc2)cc1OCC 6935366 WGYCMXPGNSNDHL-UHFFFAOYSA-N 360.479 3.979 0 40 FHAB COc1ccc(OC)c(COC(=O)c2cc(Br)ccc2F)c1 7357411 UKBNPXDDPRKTAC-UHFFFAOYSA-N 369.186 3.962 0 40 FHAB Cc1cccc(-c2nc(-c3ccccc3OCC(=O)NC(C)C)no2)c1 33325189 SEEWHWLAZLZJCP-UHFFFAOYSA-N 351.406 3.615 0 40 FHAB COc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1 10543606 BOSIQTHFLPYPFK-HNNXBMFYSA-N 371.458 3.594 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1OC 8040625 QYSAXUSTSZAZCI-QGZVFWFLSA-N 370.449 3.631 0 40 FHAB Cc1cc(C)cc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)c1 8335667 ZYPSZEVCDZREPN-UHFFFAOYSA-N 374.506 3.561 0 40 FHAB C[C@@H](O)CNCc1cc(Br)ccc1OCc1ccccc1F 8535070 REOAXZHYSSVYHR-GFCCVEGCSA-N 368.246 3.638 0 40 FHAB CC(=O)N(C)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 8554996 MCFPQHIPNSCTLJ-UHFFFAOYSA-N 354.431 3.623 0 40 FHAB CCOc1cc(/C=C2\N=C(c3cccs3)OC2=O)ccc1OC(=O)CC 994420 ILPPYTRAZFFDLL-RAXLEYEMSA-N 371.414 3.807 0 40 FHAB C[C@@H](Sc1nc(N)c2ccsc2n1)C(=O)NC1CCCCCC1 9647693 OMZYCWUYGMQXIM-SNVBAGLBSA-N 350.513 3.593 0 40 FHAB O=C(c1cc2ccccc2o1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 23844827 YMXBMGQWTFOHJS-UHFFFAOYSA-N 361.401 3.553 0 40 FHAB CN1CCN(C(=O)c2cc3sccc3n2Cc2ccccc2Cl)CC1 34678445 LKAKWEVUDXUYED-UHFFFAOYSA-N 373.909 3.792 0 40 FHAB O=C(Nc1ccccc1F)c1cc(=O)c2ccc(Br)cc2o1 27793927 CTVPZWPERGOXSY-UHFFFAOYSA-N 362.154 3.947 0 40 FHAB COc1ccc(C)cc1N[C@H](C)C(=O)c1ccc2c(c1)CCN2C(C)=O 12516115 QTYKISNXFWWINB-CQSZACIVSA-N 352.434 3.596 0 40 FHAB O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 101841038 PVLLAQHSSXDIAA-UHFFFAOYSA-N 360.816 3.970 0 40 FHAB Cc1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 102592967 CZYJXYLESJQFCL-CPLUKWAASA-N 373.408 3.526 0 40 FHAB Cc1ccc(CCC(=O)NCc2nc(Cc3ccccc3)no2)cc1Cl 58051477 FUGNFBADEFGQAK-UHFFFAOYSA-N 369.852 3.871 0 40 FHAB OCCCc1nc2ccccc2n1C[C@H](O)c1cccc(C(F)(F)F)c1 58171533 ONIGGNRWZCXFNB-KRWDZBQOSA-N 364.367 3.714 0 40 FHAB Cc1cccnc1NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21 27651967 FUSQKDSXZKNZHU-UHFFFAOYSA-N 356.429 3.969 0 40 FHAB CC[C@H](NC(=O)CCN1CCSC1=O)c1ccc(Br)cc1 58268536 GZZPQMVNFDVNJK-ZDUSSCGKSA-N 371.300 3.575 0 40 FHAB CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCc2ccccc21 29096425 FOJILTVKMQZBRK-SFHVURJKSA-N 358.482 3.779 0 40 FHAB Cc1ccsc1C(=O)OCc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 3343335 GVFJVDRHOFASNR-VIFPVBQESA-N 374.487 3.836 0 40 FHAB CC[C@H](C(=O)NCc1nnc2ccc(C(F)(F)F)cn12)c1ccccc1 28697056 SCVOXYHGXUQZHP-AWEZNQCLSA-N 362.355 3.558 0 40 FHAB CC[C@@H](C(=O)NCc1nnc2ccc(C(F)(F)F)cn12)c1ccccc1 28697054 SCVOXYHGXUQZHP-CQSZACIVSA-N 362.355 3.558 0 40 FHAB COc1cccc([C@H](CNC(=O)CCc2ccccc2Cl)N(C)C)c1 36684804 ZRBWMVKLBHHDDV-IBGZPJMESA-N 360.885 3.700 0 40 FHAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cnc2ccccc2c1 12727975 NRKHKNPCUKWUKQ-GFCCVEGCSA-N 353.809 3.645 0 40 FHAB COc1ccc(-c2n[nH]c(SCc3ccc(-n4cccn4)cc3)n2)cc1 12854098 NOPVKXQNVFEIIZ-UHFFFAOYSA-N 363.446 3.958 0 40 FHAB CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ncc(C)s2)CC1=O 13005960 KWJJZZBKOWMXFR-GXTWGEPZSA-N 357.479 3.957 0 40 FHAB O=C(Nc1ccncc1)c1cnn(-c2cc(F)cc(F)c2)c1-n1cccc1 49548728 UJTUEZBOIORHCX-UHFFFAOYSA-N 365.343 3.589 0 40 FHAB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 8718282 IKZAFXWIMTZLAT-JOCHJYFZSA-N 364.445 3.634 0 40 FHAB CSc1ccc(S(=O)(=O)NCCSCc2cccc(C)c2)cc1 409411754 KYOUGDXTVANFCQ-UHFFFAOYSA-N 367.561 3.929 0 40 FHAB O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1c(F)cccc1F 6252774 LWJXOUKNOZYTCN-UHFFFAOYSA-N 372.371 3.951 0 40 FHAB Cc1ccc(-c2nnc(S[C@@H](C)C(N)=O)n2-c2ccc(Cl)cc2)cc1 5262761 FOVJVACSULSRHS-LBPRGKRZSA-N 372.881 3.862 0 40 FHAB Cc1ccc(NC(=O)CN(C)Cc2cnn(-c3ccccc3)c2)c(Cl)c1 14023461 YGSMWFPRFUMEQH-UHFFFAOYSA-N 368.868 3.905 0 40 FHAB Cc1cc(NCCc2ccc(-c3csc(C)n3)cc2)n2ncnc2n1 14197442 YGDFOWCOUHSXJU-UHFFFAOYSA-N 350.451 3.519 0 40 FHAB Cc1nnc(NC(=O)[C@H](C)SCc2ccc(Br)cc2)s1 14199220 YQGNYXRSHSDEBQ-QMMMGPOBSA-N 372.313 3.869 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)Cc1ccc(Br)cc1 4508331 AVXXAPPZBCWCPL-UHFFFAOYSA-N 362.223 3.807 0 40 FHAB O=C(CCc1ccccc1)Nc1ccc2nc(N3CCOCC3)sc2c1 14246742 AFYARPBRGPDEDS-UHFFFAOYSA-N 367.474 3.704 0 40 FHAB O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1cccnc1Cl 5487449 GIPCCCONSGJUQG-UHFFFAOYSA-N 364.792 3.868 0 40 FHAB COc1ccc(-c2nsc(NC(=O)COc3ccc(C)c(C)c3)n2)cc1 8614016 GCNGNVRFUJIQAI-UHFFFAOYSA-N 369.446 3.848 0 40 FHAB COc1c(S(=O)(=O)N(C)C2CCCCC2)ccc(Cl)c1Cl 5555543 OBLVDYLVAMMYJU-UHFFFAOYSA-N 352.283 3.955 0 40 FHAB O=C(CN1C(=O)c2ccccc2O[C@@H](c2ccccc2)C1=O)c1ccccc1 6661131 LCJFECMAAJOVFK-NRFANRHFSA-N 371.392 3.672 0 40 FHAB COCCn1c(SCc2cc(F)ccc2F)nc2ccccc2c1=O 67258485 ZJMPHYDHIRIYPU-UHFFFAOYSA-N 362.401 3.613 0 40 FHAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)/C=C/c1cccs1 7405829 PTLVIWGYJDFWOX-SOFGYWHQSA-N 364.854 3.520 0 40 FHAB COc1ccc(NC(=O)[C@@H](Sc2ncccn2)c2ccccc2)cc1 16747464 OQGSIHBUJRRYEX-KRWDZBQOSA-N 351.431 3.957 0 40 FHAB C[C@@H](NC(=S)Nc1ccc(Br)cc1Cl)[C@H]1CCCO1 8264819 CFIJOJVWUDNHAA-PRHODGIISA-N 363.708 3.956 0 40 FHAB Cn1c(SCC(=O)C(C)(C)C)nnc1-c1ccccc1Br 8297883 BTGNLNOOCJLKNC-UHFFFAOYSA-N 368.300 3.952 0 40 FHAB Cc1cccc2cc(CN(Cc3cccnc3)C(=O)C(C)(C)C)c(=O)[nH]c12 9267084 TWKJEESFBLJHDK-UHFFFAOYSA-N 363.461 3.806 0 40 FHAB O=C(Cc1cn2ccsc2n1)N[C@H](c1ccccc1)c1cccs1 9337719 JAJOWRNWWKVNAF-QGZVFWFLSA-N 353.472 3.906 0 40 FHAB CCCN(C(=O)c1ccccc1Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 9447707 HDPBXIQBSODLKV-MRXNPFEDSA-N 373.474 3.518 0 40 FHAB Clc1ccc(-c2ccc(CNCCN3CCOCC3)o2)c(Cl)c1 19872373 NWDNYYJUBPTQJN-UHFFFAOYSA-N 355.265 3.675 0 40 FHAB O=C(N[C@@H]1CCCOc2ccc(F)cc21)[C@H](c1ccccc1)n1cccn1 84519379 NBAYLNFXEGSOPS-QUCCMNQESA-N 365.408 3.642 0 40 FHAB O=C(Cn1cccc1-c1nc(-c2ccccc2)no1)NC1CCCCC1 98211296 PGWVQIDUOGIEBU-UHFFFAOYSA-N 350.422 3.654 0 40 FHAB CC(C)(Oc1ccc2c(c1)CC/C(=C\c1cccc(O)c1)C2=O)C(=O)O 89621067 YEVJHWXOPBUQLT-XNTDXEJSSA-N 352.386 3.847 0 40 FHAB COc1ccc(-c2nc(CC(C)C)[nH]c2-c2oc(C)cc(=O)c2O)cc1 1547139422 PUFDXKIBYZDMIN-UHFFFAOYSA-N 354.406 3.918 0 40 FHAB biogenic CCc1ccc(OCC(=O)Nc2cc(C(=O)O)cc(Cl)c2OC)cc1 20143885 UTOBRCCTQZQWLZ-UHFFFAOYSA-N 363.797 3.627 0 40 FHAB CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(C(F)(F)F)ccc21 22236699 ZRGVPMPBPXLVIV-UHFFFAOYSA-N 364.323 3.563 0 40 FHAB COc1ccc(C(=O)N(Cc2ccc3cc[nH]c3c2)C2CC2)c(OC)c1 32104105 QYEGSOYEEZDPQR-UHFFFAOYSA-N 350.418 3.990 0 40 FHAB c1cc(-c2ccc3nc([C@@H]4CCCN(Cc5ccoc5)C4)nn3c2)ccn1 306130316 JCFGZLOQLPSGAK-LJQANCHMSA-N 359.433 3.764 0 40 FHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CCN(c2ccccc2F)CC1 38756747 YGMKLWVIPHACPB-HXUWFJFHSA-N 370.468 3.949 0 40 FHAB CC[C@H](O)[C@@H](C)c1nnc(N2Cc3ccccc3C2)n1Cc1ccccc1 1521706844 VYIGWSBLYQPKHC-UZLBHIALSA-N 362.477 3.721 0 40 FHAB O=C(CCn1ccc(C(=O)NC2CCCCCC2)n1)NC1CCCCCC1 36617885 YPRNYSVTWDQVBD-UHFFFAOYSA-N 374.529 3.565 0 40 FHAB Cc1ccc([C@@H](C)NC(=O)c2cccc(CN3CCOCC3)c2)cc1C 219247186 FXAHJCRJCVSHRX-GOSISDBHSA-N 352.478 3.627 0 40 FHAB COC(=O)c1ccoc1CN1CCN(Cc2cccc3ccccc23)CC1 39547717 HTAHFHYYALZBAI-UHFFFAOYSA-N 364.445 3.537 0 40 FHAB CC(C)CN1CCC[C@@H]([C@H](NC(=O)c2cccs2)c2ccccn2)C1 72330415 KRKJPDTVPQGZFJ-APWZRJJASA-N 357.523 3.982 0 40 FHAB Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN(C4CCOCC4)C3)n2)n1 72376061 SXXSKYRAIYIOIL-QGZVFWFLSA-N 367.497 3.590 0 40 FHAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccco1 224553578 GUDTXKGKFKZVGH-QZTJIDSGSA-N 351.431 3.860 0 40 FHAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC)c(C(=O)OCC)c1 225838754 VGFHPDPVPNWHNE-IBGZPJMESA-N 351.443 3.796 0 40 FHAB CCN(CC)CCC[C@H](C)NS(=O)(=O)c1ccc2c3c(cccc13)CC2 226861974 MLEFCYUIOBTEDL-INIZCTEOSA-N 374.550 3.727 0 40 FHAB CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2 224841709 NKENCZIVJCUXKL-UHFFFAOYSA-N 374.245 3.590 0 40 FHAB Cc1cc(C(=O)Nc2cccc3ccccc23)ccc1N(C)S(C)(=O)=O 222468255 GYGWICNXOKMEKQ-UHFFFAOYSA-N 368.458 3.796 0 40 FHAB COC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(C)c(C)c1 40122754 MGAAUDKKWHEGBQ-UHFFFAOYSA-N 353.827 3.544 0 40 FHAB COC(=O)N1CCc2ccc(F)cc2[C@H]1C(=O)Nc1ccccc1SC 77200034 PRGCMHOTSDUGDP-KRWDZBQOSA-N 374.437 3.852 0 40 FHAB CCCSc1nnc(NC(=O)[C@@H](CC)Oc2cccc(OC)c2)s1 223634249 FLBIAPJAQSBDDL-CYBMUJFWSA-N 367.496 3.845 0 40 FHAB O=C(CCN1CCCC1)N1N=C(c2ccsc2)C[C@H]1c1cccs1 95115987 JTKCYTYBEZGBSD-INIZCTEOSA-N 359.520 3.973 0 40 FHAB COCCCN1C(=O)N(c2ccccc2)[C@@H]2[C@H](c3cccnc3)CC[C@@H]21 257260345 LCMILHXGNTZZDZ-SLFFLAALSA-N 351.450 3.675 0 40 FHAB CCN(CC(=O)N1CCCCCC1)C(=O)c1ccccc1N1CCCCC1 585082578 LBAHGERGGYMMOL-UHFFFAOYSA-N 371.525 3.542 0 40 FHAB C[C@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN1C(=O)c1ccncc1 257219828 DIIDKZPEMDGPPM-OAQYLSRUSA-N 365.408 3.951 0 40 FHAB COCCC(=O)N[C@@H]1C[C@H](c2cccc(F)c2F)O[C@@H]2CCCC[C@@H]12 257332616 XYAQKKFLOBRCBN-WBQNTZJQSA-N 353.409 3.506 0 40 FHAB O=C1Nc2ccccc2[C@]12Nc1ccccc1-c1nc(-c3ccccc3)nn12 585157945 UBDYGZZCPAPSFX-JOCHJYFZSA-N 365.396 3.691 0 40 FHAB Cn1ccnc1C(=O)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257258908 KWBBECXZZYGSPN-INIZCTEOSA-N 370.840 3.630 0 40 FHAB CN(C)c1cccc([C@@H]2CCCN2C(=O)c2ccc3c(c2)CCC(=O)N3)c1 605132525 XVOXHGDWBSOGQF-FQEVSTJZSA-N 363.461 3.615 0 40 FHAB O=C(O)C1CCC(C(=O)NC2(c3cccc(OC(F)(F)F)c3)CC2)CC1 656247150 CQNWSOVBJOHTQN-UHFFFAOYSA-N 371.355 3.582 0 40 FHAB c1cc(-c2noc(CCc3nc(-c4ccoc4)no3)n2)c2cccnc2c1 671155087 AGEJFMPLINUZGP-UHFFFAOYSA-N 359.345 3.713 0 40 FHAB O=C(NC[C@@](O)(c1ccoc1)c1ccco1)c1ccccc1C(F)(F)F 390826221 FSOFUXQBEGGEDK-QGZVFWFLSA-N 365.307 3.557 0 40 FHAB CN(CCc1ccccn1)[C@H]1CCC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O 585289380 IVFOCDSXRBBJJW-XUVXKRRUSA-N 360.885 3.570 0 40 FHAB C[C@H](CNC(=O)Nc1cccc(CN2CCCC2=O)c1)c1ccccc1 62581384 CAWWIHXSGJASAX-MRXNPFEDSA-N 351.450 3.734 0 40 FHAB Cc1cc2cc(CNC(=O)c3ccc(NCc4cnn(C)c4)cc3)ccc2[nH]1 1640215738 ZGKUZTNLIAAFAO-UHFFFAOYSA-N 373.460 3.752 0 40 FHAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)Cc2ccccn2)N1c1ccc(F)cc1 1615154652 GLHIPIJFSQWRLO-PMACEKPBSA-N 367.468 3.812 0 40 FHAB COc1cc(NC[C@@](C)(O)CN(CC(C)C)C(C)C)c2ncccc2c1 5834723 PMFHVABLBBJDLO-OAQYLSRUSA-N 359.514 3.773 0 40 FHAB C[C@H]1CN(C(=O)CSc2nc(-c3ccc(F)cc3)cs2)C[C@@H](C)O1 13109334 FNYXKHNPAICMNM-TXEJJXNPSA-N 366.483 3.677 0 40 FHAB CCOc1cccc(NS(=O)(=O)Cc2ccc(Br)cc2)c1 13646584 MPMHXJVIKGEQCZ-UHFFFAOYSA-N 370.268 3.790 0 40 FHAB O=C(COc1cccc(C(F)(F)F)c1)c1c[nH]c(C(=O)N2CCCC2)c1 14676994 CJJGLUPCIICBCG-UHFFFAOYSA-N 366.339 3.531 0 40 FHAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3ccccc3Cl)c12 14899147 QUMNWFGTAXDJBC-UHFFFAOYSA-N 354.841 3.738 0 40 FHAB COc1ccc(OC)c(CN2CCO[C@@H](c3cc4ccccc4cn3)C2)c1 19551621 YYHQDZATTFWYRI-JOCHJYFZSA-N 364.445 3.826 0 40 FHAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)c1cncc(Br)c1 7737076 VBKCCHNDYSPZKO-MRVPVSSYSA-N 351.166 3.647 0 40 FHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N(C)Cc1cnn(C)c1 27539545 KFZPQZIPRFLBHH-JTQLQIEISA-N 374.794 3.551 0 40 FHAB Cc1cc(C)cc(OCCN(C)[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c1 29153054 LEPJSDCSDLRJLS-HNNXBMFYSA-N 361.873 3.690 0 40 FHAB COc1ccccc1NC(=O)C1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 29911466 XZAKGHMCVPIEGC-AWEZNQCLSA-N 372.469 3.613 0 40 FHAB Cc1cc(C)c2nc(NC(=O)c3cccc(S(C)(=O)=O)c3)sc2c1 4517836 HDWGOLPAHZMIDZ-UHFFFAOYSA-N 360.460 3.569 0 40 FHAB C[C@@H](NC(=O)c1ccc(Cl)cc1)[C@@H](c1cccs1)N1CCOCC1 23181011 GSNHPMOHBGCPTK-DYVFJYSZSA-N 364.898 3.593 0 40 FHAB CN(C)[C@@H](CNC(=O)c1ccccc1Cl)c1cn(C)c2ccccc12 23239735 NBJFNXZWHWQWMX-IBGZPJMESA-N 355.869 3.864 0 40 FHAB O=C(Cc1ccccc1Cl)N1CC[C@@H](N2CCc3ccccc3C2)C1 225684888 KUTASHGZNOVEIZ-LJQANCHMSA-N 354.881 3.542 0 40 FHAB O=C(NCC1CCN([C@H]2CCOC2)CC1)c1ccc(-c2ccsc2)cc1 575615963 KARAXEPWUPFOHI-FQEVSTJZSA-N 370.518 3.646 0 40 FHAB Cc1cccc(NC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)c1C 40068036 WAEANLNPGRJAJX-UHFFFAOYSA-N 372.490 3.777 0 40 FHAB O=C(Cc1ccccc1Cl)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 30176854 LWLLIRKWGVOXMD-QGZVFWFLSA-N 358.825 3.639 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)n1cccc/c1=N\C(C)C 40132415 XINGURNCKIRCNF-BSYVCWPDSA-N 366.440 3.622 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cc3c(ccc4ccccc43)[nH]2)no1 31408729 UBRBTMHTFHNKFO-GFCCVEGCSA-N 363.373 3.802 0 40 FHAB COC(=O)C1(NC(=O)CCc2cccc(Cl)c2Cl)CCCCC1 31717524 SYDVDFNKSKUDDY-UHFFFAOYSA-N 358.265 3.918 0 40 FHAB COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 31961276 CCDJBWAMNHNWQQ-UHFFFAOYSA-N 359.447 3.664 0 40 FHAB O=C1C[C@H](N(O)c2ccccc2)C(=O)N1c1c(Cl)cccc1Cl 101028608 KDSQFJVFNDMYOF-ZDUSSCGKSA-N 351.189 3.521 0 40 FHAB O=C(Nc1ccccc1C(F)(F)F)c1c[nH]c2ccc(F)cc2c1=O 32606274 UWVAXUFDPSIJRL-UHFFFAOYSA-N 350.271 3.938 0 40 FHAB CCCC(=O)Nc1cccc(NCC(=O)N2CCc3ccccc3C2)c1C 60089392 IZDVQCNRBVTOKG-UHFFFAOYSA-N 365.477 3.730 0 40 FHAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1C 8105475 KRJSWCSINDPSSF-UHFFFAOYSA-N 357.790 3.595 0 40 FHAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc2ccccc2n1 2641355 JXGYUXZTMULCQB-UHFFFAOYSA-N 367.836 3.977 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C)c(C)c1 905424 YDAURHAWNJQERS-UHFFFAOYSA-N 358.492 3.891 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2nc3ccccc3s2)C1 32855831 RPBDCEDAAVBQAL-LBPRGKRZSA-N 361.467 3.882 0 40 FHAB Cc1cc(Br)ccc1N(C)C(=O)c1ccc2c(c1)COCO2 76092750 LROFONUZFPHBRY-UHFFFAOYSA-N 362.223 3.901 0 40 FHAB CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)c1 78652808 BSGSSFVNTPFESX-ZWKOTPCHSA-N 372.490 3.537 0 40 FHAB COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1nc(-c2ccco2)sc1C 79071612 UZVSKKJKYRKCKO-STQMWFEESA-N 362.451 3.563 0 40 FHAB CCc1cc(OCC(=O)NCC(=O)Nc2c(C)cccc2C)ccc1Cl 32910984 KTIGBZXIQZLFJD-UHFFFAOYSA-N 374.868 3.653 0 40 FHAB Cc1c(Cl)ccc2sc(N3CCN(C(=O)c4ccco4)CC3)nc12 4585361 QOYKVBVZHQZYJI-UHFFFAOYSA-N 361.854 3.814 0 40 FHAB Cc1ccccc1NC(=O)c1cc(S(=O)(=O)NC2CCCC2)cs1 6681770 JDGOWFDTFFEOAL-UHFFFAOYSA-N 364.492 3.530 0 40 FHAB CCOc1cccc(C(=O)Nc2ccc(NC(=S)NC(=O)CC)cc2)c1 6709380 YTBYPNVCRNADDS-UHFFFAOYSA-N 371.462 3.561 0 40 FHAB CSc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 7266930 WGFZEBCCQNOPOO-CYBMUJFWSA-N 358.463 3.596 0 40 FHAB COc1ccc(NC(=O)c2cccc(NC(=O)c3cccc(N)c3)c2)cc1 7468295 ZFSXVUNBZGOABM-UHFFFAOYSA-N 361.401 3.782 0 40 FHAB Cc1ccc(NC(=O)CN2C[C@@H](O)Cc3ccc4ccccc4c32)c(C)c1 52896386 ONSSSAPVSBGUEI-IBGZPJMESA-N 360.457 3.819 0 40 FHAB CCc1nnc(CNc2ccc(C(=O)N3CCCC[C@@H]3C)c(Cl)c2)o1 102922819 KKJARWPLBRTCBG-LBPRGKRZSA-N 362.861 3.912 0 40 FHAB O=C1O[C@@H]2C=CC=CC2=C[C@@H]1C(=O)N1CCS[C@@H]1c1ccccc1Cl 103215173 LRACAJQOFCOBDM-QGPMSJSTSA-N 373.861 3.508 0 40 FHAB Cc1cc(C)cc(-n2ccnc2SCc2nnnn2-c2ccccc2)c1 10271308 NAXDXQVDQKMCBZ-UHFFFAOYSA-N 362.462 3.757 0 40 FHAB Cc1cc(N2C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=S)ccc1Cl 2807512 PBHLIYMUWBBELZ-QGZVFWFLSA-N 369.877 3.962 0 40 FHAB biogenic COc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1O 727425 CGKYTBSGVWCHAL-UHFFFAOYSA-N 362.385 3.905 0 40 FHAB CN(C)c1ncccc1C(=O)OCC(=O)c1ccc2c(c1)Cc1ccccc1-2 61249363 CEPCIZKTPLLOBB-UHFFFAOYSA-N 372.424 3.759 0 40 FHAB CCOC(=O)CSc1nnc(Nc2ccccc2)n1-c1ccccc1 823278 KKKCREBXZKZITG-UHFFFAOYSA-N 354.435 3.666 0 40 FHAB O=C(CCc1cnn(-c2ccccc2)c1)Nc1nc2c(s1)CCCC2 23030349 PSTQNEGKRPUPCZ-UHFFFAOYSA-N 352.463 3.779 0 40 FHAB O=c1c2ccccc2nc(SCC[S@@](=O)c2ccccc2)n1C1CC1 47222235 IGMKBQSHJKXPBX-VWLOTQADSA-N 370.499 3.631 0 40 FHAB COc1ccc(C(=O)Nc2ccccc2N2C(=O)c3ccccc3C2=O)cc1 939704 MFRACCMTSPLHGN-UHFFFAOYSA-N 372.380 3.748 0 40 FHAB COC(=O)c1cccc(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2)c1 58564993 PXCPAABLMGQXDR-GOSISDBHSA-N 361.463 3.539 0 40 FHAB Cc1cc(C)c(NC(=O)CN2CCN(c3ccccc3F)CC2)c(C)c1 54530097 IREOQHAGVHRXBJ-UHFFFAOYSA-N 355.457 3.512 0 40 FHAB COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1NC(C)=O 55616181 SMMZUNUGCCWODW-UHFFFAOYSA-N 370.430 3.608 0 40 FHAB C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)c1nc(Cl)nc2[nH]ccc12 34850198 MXIDKFWWKNFJKE-PBHICJAKSA-N 369.900 3.958 0 40 FHAB CCOc1ccc2nc(SCC(=O)N3CCc4ccccc43)[nH]c2c1 3268910 JBOCJZZABQIISN-UHFFFAOYSA-N 353.447 3.643 0 40 FHAB O=C(c1ccccn1)N1CCc2[nH]c3c(Br)cccc3c2C1 55730982 RXAXQBCBLSMGEF-UHFFFAOYSA-N 356.223 3.524 0 40 FHAB O=C(NCCc1nnc2ccccn12)Nc1ccc(Oc2ccccc2)cc1 53986439 AIQQIZXQMRPPEE-UHFFFAOYSA-N 373.416 3.886 0 40 FHAB O=C1CCCN1c1cccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)c1 25538043 QMGYRUVMMOPHRB-LJQANCHMSA-N 352.409 3.930 0 40 FHAB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)Cc1noc2ccccc12 57252682 YPEKQEOQKWBOOJ-OAHLLOKOSA-N 352.438 3.516 0 40 FHAB Cc1noc(C)c1CCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 27999201 JILMAIMLNNZOKN-UHFFFAOYSA-N 352.438 3.507 0 40 FHAB CCC(CC)c1nnc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)s1 57329226 YIQFSIBDCHYTJH-LBPRGKRZSA-N 368.503 3.780 0 40 FHAB C[C@H](CNC(=O)c1cnc(-c2ccccc2)s1)N1CCc2ccccc21 48264028 IDNUKDUHILPXRQ-OAHLLOKOSA-N 363.486 3.991 0 40 FHAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCc1ccc2c(c1)OCO2 48255640 BHTBQRORYZXAGE-UHFFFAOYSA-N 369.421 3.640 0 40 FHAB Cc1c([C@H](C)NC(=O)c2ccccc2-n2cccn2)cnn1-c1ccccc1 58171821 ASNPVWLCWBHDLS-INIZCTEOSA-N 371.444 3.857 0 40 FHAB C[C@H](C(=O)Nc1ccc(Cl)cn1)N(C)Cc1c(F)cccc1Cl 58140421 SFNLUXAXWKBUKM-SNVBAGLBSA-N 356.228 3.987 0 40 FHAB CCOC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 58192597 NFOJLABRSICFKG-JKSUJKDBSA-N 352.272 3.580 0 40 FHAB CC(C)[C@H](Sc1ncnc2ccsc12)C(=O)NCc1cccnc1 58197418 KWZTWUYRYWIPEQ-AWEZNQCLSA-N 358.492 3.519 0 40 FHAB COC(=O)[C@H](OC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccccc1Cl 10214079 OXXKHHYEYAGVLV-MRXNPFEDSA-N 363.797 3.559 0 40 FHAB Cc1ccc(NC(=O)C[C@H]2SC(=O)N(Cc3ccccc3)C2=O)c(C)c1 10386444 JFSZHAXOUBNKPI-QGZVFWFLSA-N 368.458 3.896 0 40 FHAB Cc1ccc(-c2nnc3sc(-c4ccccc4Cl)nn3c2=O)cc1 10312449 MLIIKUQVTAUBOQ-UHFFFAOYSA-N 354.822 3.842 0 40 FHAB CCn1cc(C(=O)N[C@H](C)c2ccc(OC)cc2)c(=O)c2ccccc21 22234540 RFAAVEIJXPCUQU-CQSZACIVSA-N 350.418 3.521 0 40 FHAB CCOc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc(F)cc(F)c2)cc1 10516665 KMTYUMFZKFJQFU-SFHVURJKSA-N 367.417 3.889 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccn2)N1Cc1ccccc1 2351504 MRENTBLOCLVOKT-HXUWFJFHSA-N 368.392 3.933 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)N1CCN(c2ccccc2F)CC1 17116104 NWLHBDBOTPBRDG-QGZVFWFLSA-N 355.457 3.679 0 40 FHAB C[C@@H](NC(=O)COC(=O)c1ccccc1O)c1ccc(Cl)cc1Cl 3443312 MQNPPGIYVJQJAQ-SNVBAGLBSA-N 368.216 3.733 0 40 FHAB COc1ccc(CN(C)C[C@H](O)COc2ccccc2C(C)C)cc1OC 12926351 YQJZIUABXLRYRG-SFHVURJKSA-N 373.493 3.699 0 40 FHAB Cc1cc(C)cc(OCCSCc2cc(=O)n3cc(C)ccc3n2)c1 12907990 MUFOQINLTTYQAT-UHFFFAOYSA-N 354.475 3.932 0 40 FHAB Cc1nc(C2(NC(=O)COc3ccc4ccccc4c3)CCCCC2)no1 12908164 ZISSCOWZRXMDEJ-UHFFFAOYSA-N 365.433 3.886 0 40 FHAB COc1cc2c(cc1OC)CN([C@@H](C)C(=O)Nc1cc(C)ccc1C)CC2 8473053 NIZHALXOUQTTRN-INIZCTEOSA-N 368.477 3.706 0 40 FHAB CSc1cc(C(=O)O)ccc1NS(=O)(=O)c1ccc(Cl)s1 13278902 MHTOIWXZIKKIQJ-UHFFFAOYSA-N 363.869 3.622 0 40 FHAB O=C1Nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c3cccc1c23 6146884 HWOOYZWUSINQMC-UHFFFAOYSA-N 358.806 3.860 0 40 FHAB CCc1ccc(C(=O)N(CC)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 14084445 XWNXMSZCWQRJEK-UHFFFAOYSA-N 369.852 3.801 0 40 FHAB COc1ccc(-c2cnc(SCC(N)=O)n2-c2ccc(C)cc2C)cc1 6590635 QZPPJIBONDSMNP-UHFFFAOYSA-N 367.474 3.742 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccccc2CNc2nccs2)cc1 18196606 QNJCLYXJTFFJKM-UHFFFAOYSA-N 359.476 3.864 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc2c(c1)OCO2 6610013 QJQWLKRJFGFIGO-LBPRGKRZSA-N 351.358 3.633 0 40 FHAB COc1ccc(-c2nnc(SCc3cn4cccc(C)c4n3)n2C)cc1 5692086 DDISJHOXUPJNMO-UHFFFAOYSA-N 365.462 3.739 0 40 FHAB CCc1c(C)nc(SCc2nc(-c3ccc(Cl)cc3)no2)[nH]c1=O 18208233 CXCNAJCXBCRYDZ-UHFFFAOYSA-N 362.842 3.636 0 40 FHAB O=C(O[C@@H]1CCOC1=O)c1ccccc1CSc1nc2ccccc2o1 5803647 LBAMOPDMDREQKQ-MRXNPFEDSA-N 369.398 3.592 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)/C=C/c2ccc(C)cc2)c1C 6947195 QABINRIDZBFIKY-ZHACJKMWSA-N 369.417 3.556 0 40 FHAB CCOCCn1c([C@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 8845049 VVXYHTJKGYPLBU-SFHVURJKSA-N 363.461 3.589 0 40 FHAB CNC(=O)CSc1nnc(SCc2ccc(C(C)C)cc2)s1 5999993 WJQYFKWIOUWIPN-UHFFFAOYSA-N 353.538 3.792 0 40 FHAB Cc1nnc(S[C@@H](C)C(=O)NC2CCCCCC2)n1Cc1ccccc1 7362002 OECNJIJEORTTAK-HNNXBMFYSA-N 372.538 3.954 0 40 FHAB CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cccc(Br)c2)C1 67802890 DTEUBCRJSWJARX-CQSZACIVSA-N 355.276 3.548 0 40 FHAB CC(=O)Nc1ccccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 16091881 OJQRVFTVYGRLIV-UHFFFAOYSA-N 360.218 3.720 0 40 FHAB CCn1c(C2CCN(C(=O)CCc3ccc(C)cc3C)CC2)n[nH]c1=S 68452716 QRBCHZKUZYWJDJ-UHFFFAOYSA-N 372.538 3.916 0 40 FHAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(F)cc1 7989779 KAVGLBRWJKJMND-UHFFFAOYSA-N 357.410 3.524 0 40 FHAB C[C@@H]1Oc2c(C(=O)Nc3ccc(N4CCOCC4)cc3)cccc2[C@H]1C 8193382 ZHFOXEVZTHBWOS-GJZGRUSLSA-N 352.434 3.660 0 40 FHAB CC(C)CNC(=O)[C@@H](C)Sc1nc(C(F)(F)F)nc2ccccc12 8174441 GJAVJXSRYBWQCG-SNVBAGLBSA-N 357.401 3.901 0 40 FHAB O=C(Cc1ccon1)N1CCCCC[C@@H]1c1noc(-c2ccc(F)cc2)n1 96001366 GTBRDGZWAKVUSS-MRXNPFEDSA-N 370.384 3.550 0 40 FHAB Cc1noc(C)c1CCC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 9318650 CQUHSZSSAQJPPA-GOSISDBHSA-N 372.856 3.517 0 40 FHAB Cc1ccc(N2C[C@H](c3nc(-c4ccncc4)no3)CC2=O)cc1Cl 9318564 BPBJBBIODWYQKL-CYBMUJFWSA-N 354.797 3.614 0 40 FHAB CC(=O)c1ccccc1C(=O)N1CCN(c2cc(C)c3ccccc3n2)CC1 9306246 DZFDYPVTEHWQHS-UHFFFAOYSA-N 373.456 3.708 0 40 FHAB CC(C)CC(=O)N[C@H](NCCc1ccccc1)C(Cl)(Cl)Cl 19800751 MAAIDMONMIKNQH-AWEZNQCLSA-N 351.705 3.677 0 40 FHAB COc1ccc([C@@H](C)NC(=O)c2cn[nH]c2-c2ccc(C)cc2)cc1OC 72328948 SFSURDAYFNUGIO-CQSZACIVSA-N 365.433 3.893 0 40 FHAB CN(CC(F)(F)F)C(=O)CN1Cc2ccccc2[C@H](c2ccccc2)C1 83858998 NHZVPYDLPFDHEI-SFHVURJKSA-N 362.395 3.655 0 40 FHAB CC(C)c1noc(CCC(=O)N(C[C@@H](O)c2ccccc2)CC(C)(C)C)n1 95451259 AMEGQJOXGDHXCU-QGZVFWFLSA-N 373.497 3.734 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cc(C)nc3c2cnn3C(C)C)c1 9954886 URAMYTOYHAPVCY-UHFFFAOYSA-N 354.410 3.590 0 40 FHAB Cc1sc(NC(=O)CN2CCO[C@H](c3ccccc3F)C2)c(C)c1C 75685652 NPIQTHPYUGRSCP-KRWDZBQOSA-N 362.470 3.824 0 40 FHAB COC(=O)c1cn([C@H](C)C(=O)Nc2ccc(OC)cc2)c2ccccc12 409204957 DPZGSQAIAQFAMH-CYBMUJFWSA-N 352.390 3.636 0 40 FHAB O=C(O)c1cccc(CSc2n[nH]c(COc3ccccc3F)n2)c1 409384382 ARKFEGJIOYSWFP-UHFFFAOYSA-N 359.382 3.513 0 40 FHAB COc1ccc(CNC[C@@](O)(c2ccccc2)c2ccc(F)cc2)cc1 20365948 VQCOJXZDTNIMJW-JOCHJYFZSA-N 351.421 3.860 0 40 FHAB O=C(O)c1cc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)ccc1Cl 20143152 YZIRSTZXXZSZHU-UHFFFAOYSA-N 365.641 3.986 0 40 FHAB O=C(/C=C/c1cccc(Cl)c1)OC[C@H]1CN(Cc2ccccc2)CCO1 69890359 QEXIMWDOVDITEM-SQUSKLHYSA-N 371.864 3.797 0 40 FHAB CCOC(=O)N1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc(OC)cc1OC 504116013 LCFDWUSJFVKNSI-ILZDJORESA-N 363.454 3.528 0 40 FHAB biogenic CCOC(=O)CCCCCCOc1cc(C(=O)OCC)ccc1OC 71261213 JBPSFOJVQGZGPI-UHFFFAOYSA-N 352.427 3.764 0 40 FHAB CC[C@@H](C)n1ncc(NC(=O)NCc2ccc(C(=O)OC)cc2)c1C1CC1 534252723 YGYFNBSYISEJBN-CYBMUJFWSA-N 370.453 3.840 0 40 FHAB O=C(NCc1cccs1)C1CCN(c2nc3ccccc3s2)CC1 35290277 SNEAZORRLOOEBC-UHFFFAOYSA-N 357.504 3.891 0 40 FHAB Nc1nnc(Sc2nc3ccccc3nc2NCc2ccccc2)s1 32647173 SWODRTRRYQIHNL-UHFFFAOYSA-N 366.475 3.827 0 40 FHAB O=C(c1cccnc1)N1CCC(c2cncc(-c3cccc(F)c3)n2)CC1 72359493 AMRPSVZBGUCAAN-UHFFFAOYSA-N 362.408 3.698 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCC(C)C)ccc2C)cc1C 33663729 YNVTWTUGKNZNSW-UHFFFAOYSA-N 374.506 3.798 0 40 FHAB CN(CCCc1nn2c(-c3ccccc3)nnc2s1)Cc1ccccc1 72333591 RUPBMVSEUSJYPM-UHFFFAOYSA-N 363.490 3.917 0 40 FHAB O=C1COc2ccc(C(=O)N(Cc3cccc(F)c3)C3CCCC3)cc2N1 520990627 NDIPAMTUGSHHNH-UHFFFAOYSA-N 368.408 3.742 0 40 FHAB CCCOCc1cc(C(=O)Nc2cccc(NC(C)=O)c2)ccc1OC 224419461 DPMYHJYOBSAIDE-UHFFFAOYSA-N 356.422 3.833 0 40 FHAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C)cc1 225397967 FKOMPDWDKKJVHB-MRXNPFEDSA-N 372.896 3.744 0 40 FHAB Cc1c(C(=O)N2CCCN3c4ccccc4C[C@H]3C2)c(O)nc2ccccc12 329548991 FDCHJYMTWLORCR-KRWDZBQOSA-N 373.456 3.526 0 40 FHAB COc1ccc([C@H](C)NC(=O)c2cn3c4c(cccc4c2=O)C[C@@H]3C)cc1 223097323 XDCHHZQOBCASPT-KBPBESRZSA-N 362.429 3.618 0 40 FHAB COc1cccc(OCCNC(=O)c2cc3ccccc3cc2OC)c1 224476996 IXYHEWUSARCZPC-UHFFFAOYSA-N 351.402 3.666 0 40 FHAB COc1ccc(SCCCNC(=S)Nc2ncccc2OC)cc1 225804076 VRJWNHQAWKPDOJ-UHFFFAOYSA-N 363.508 3.568 0 40 FHAB COc1ccc2cc(C(=O)NC[C@@H](Cc3ccccc3)N(C)C)ccc2c1 49611683 IWGAOJNLNOAIJT-OAQYLSRUSA-N 362.473 3.751 0 40 FHAB CCO[C@]1(C(=O)Nc2ccc(OCCCN(C)C)cc2)CCC[C@H](C)C1 225715647 PTJFQWOYIGMKLQ-LAUBAEHRSA-N 362.514 3.941 0 40 FHAB Cc1cc(C)cc(O[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 222718401 VSZNMDVHGOHSGW-JKSUJKDBSA-N 355.434 3.719 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)Nc1nc(Cc2ccc(F)cc2)n[nH]1 95476453 UXIXFAJCVDDLFF-UHFFFAOYSA-N 363.396 3.587 0 40 FHAB CC(C)(C)c1ccc(S(=O)(=O)N2CCCCC2)c(Br)c1 231429804 MGNVBTDMUXBNRY-UHFFFAOYSA-N 360.317 3.921 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)CCCC2 96586433 AMCOWFXBFARZAE-UHFFFAOYSA-N 353.418 3.760 0 40 FHAB C[C@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)N[C@@H]1CCCC[C@H]1C 245227192 FGXOEPBVVWLKSN-MBNYWOFBSA-N 369.494 3.682 0 40 FHAB CC(C)c1noc([C@H](C)N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)n1 246108300 MVSURSMHYZPCHT-GOEBONIOSA-N 366.469 3.919 0 40 FHAB Cc1cc(-n2cccn2)ccc1NC(=O)N[C@H]1CCCC12CCOCC2 585133928 JVMHHVAJSGNIAO-SFHVURJKSA-N 354.454 3.652 0 40 FHAB C[C@H](O)c1c(-c2ccc(F)cc2)noc1C(=O)N(C)Cc1ccccc1 253396158 DFGMOTWQLPZYIL-ZDUSSCGKSA-N 354.381 3.806 0 40 FHAB biogenic,in-vitro Cc1nc(Nc2ccccn2)cc([C@H]2CCCN(CC3CCOCC3)C2)n1 257291061 QFLALJLXQOLARE-SFHVURJKSA-N 367.497 3.530 0 40 FHAB c1csc(CN2Cc3cccn3[C@@H](CCOCC3CCOCC3)C2)c1 253588833 VEYZADMTSJRKEO-IBGZPJMESA-N 360.523 3.940 0 40 FHAB CCN(CC)c1ccc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCC[C@H]3O2)c(OC)c1 257260122 LBJRUSSMBSTNBH-HKJQZYRSSA-N 360.498 3.676 0 40 FHAB Cc1ccc(C(=O)N2CCC(c3ccnc(Nc4ccccn4)c3)CC2)cn1 257300496 RUNMDTFICIAKMO-UHFFFAOYSA-N 373.460 3.943 0 40 FHAB CN(C)C(=O)c1ccc(NC(=O)N[C@@H]2[C@@H](c3ccccc3)C2(C)C)cc1 626220148 HKAYBHBIZIIWAV-QZTJIDSGSA-N 351.450 3.702 0 40 FHAB COC1(CNC(=O)CSCc2ccccc2)C2CC3CC(C2)CC1C3 96123858 DWSNOFBGHMOJTC-UHFFFAOYSA-N 359.535 3.877 0 40 FHAB O=C(/C=C/c1ccoc1)Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2 96103665 QAKXGWUMMCXINL-BBOMDTFKSA-N 366.417 3.709 0 40 FHAB Cc1ccc(NC(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)cc1C 43979153 RKLIYUWFTVRFLE-UHFFFAOYSA-N 360.502 3.645 0 40 FHAB C[C@H](Cc1ccsc1)N(C)C(=O)c1cc(N2CCCC2=O)ccc1F 81398505 FPKHZABVZXKKIB-CYBMUJFWSA-N 360.454 3.717 0 40 FHAB CCC[C@H](O)CN(CCO)CCCc1ccc(COc2ccccc2)cc1 95101095 COMNCEHONISSOD-QFIPXVFZSA-N 371.521 3.654 0 40 FHAB CCCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nnc1-c1ccncc1 5430408 LTMXPISSFHFLEB-AWEZNQCLSA-N 367.478 3.869 0 40 FHAB NC(=O)Nc1ccc(C2=NC3=Cc4c(ccc5ccccc45)O[C@H]3O2)cc1 5604957 LLVMZQRKOCSSRJ-FQEVSTJZSA-N 357.369 3.867 0 40 FHAB COc1ccc2nc(-c3cccc(NC(=O)c4ccccc4F)c3)cn2n1 11027381 ZTWMESZXGIAIEZ-UHFFFAOYSA-N 362.364 3.796 0 40 FHAB Cc1cc(-c2cnc(N3C[C@@H](C)O[C@H](C)C3)nc2-c2ccc(C)o2)on1 12186055 POKFKVKFPACXKL-ZIAGYGMSSA-N 354.410 3.622 0 40 FHAB CC1(C)C2=NC(=[N+]3CCCC3)SC2=Cc2sc(N3CCCC3)nc21 16382760 PXNPIDUCGXDOTM-UHFFFAOYSA-N 359.544 3.726 0 40 FHAB Cc1cc(C[C@@H]2COC[C@H]2N(Cc2ccccc2)Cc2ccncc2)on1 19120637 LRBQXWOYVITLSC-IFMALSPDSA-N 363.461 3.638 0 40 FHAB C[C@@H](Cc1cc(O)n2nc(-c3ccccn3)cc2n1)n1cnc2ccccc21 19456743 WBKJXKNFCFFBED-AWEZNQCLSA-N 370.416 3.650 0 40 FHAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccc(C)cc3)c2)CCN(C(C)=O)C1 19528786 PUAKVXUMDJUZPE-HSZRJFAPSA-N 364.489 3.579 0 40 FHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3c(C)cccc3C(C)C)ccc21 19936849 JZLYMFVXPATBSA-UHFFFAOYSA-N 374.462 3.847 0 40 FHAB Cc1cc(C)c(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c(C)c1 14426314 VXOUOMSUEQINLJ-IBGZPJMESA-N 350.462 3.642 0 40 FHAB CCc1nc2ccccc2c(C(=O)OCC(=O)N2CCC[C@H](C)C2)c1C 4977835 XXYHFTUUMUGCOQ-AWEZNQCLSA-N 354.450 3.521 0 40 FHAB CC(C)c1nc2ccccc2n1C1CN(C(=O)c2ccc(N(C)C)cc2)C1 1888941736 FVVJYGJKFPNKQQ-UHFFFAOYSA-N 362.477 3.923 0 40 FHAB C[C@]1(C(=O)N2CCC3(CC2)CCN(c2ccsc2)C3=O)CC=CCC1 1614947342 KMXGFZKIHDAGOV-IBGZPJMESA-N 358.507 3.840 0 40 FHAB Cc1ccc(Cn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)cc1 4479141 CDLARUUTPMCRAY-UHFFFAOYSA-N 350.809 3.592 0 40 FHAB CCOc1cccc2cc(S(=O)(=O)c3ccc(C)c(C)c3)c(=O)oc12 4483735 JYVVTIBNYGFDRQ-UHFFFAOYSA-N 358.415 3.641 0 40 FHAB O=C(Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2)c1ccccc1F 9036434 PDLGSNVWAUJBDQ-UHFFFAOYSA-N 364.376 3.870 0 40 FHAB COc1ccc(-c2cn3c(C(=O)Nc4nccs4)csc3n2)cc1 11902226 CGPJWGLZWGVZOP-UHFFFAOYSA-N 356.432 3.780 0 40 FHAB Cc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc(C)c(Cl)c3)cn2)cc1 13806899 YWXIAADOCHEWHV-UHFFFAOYSA-N 367.836 3.819 0 40 FHAB CCOc1ccc(CC(=O)N2CCC[C@@H](COc3cccc(C)n3)C2)cc1 1775969553 XYHRDMXVNUJPGF-LJQANCHMSA-N 368.477 3.649 0 40 FHAB O=C(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)C(F)(F)F 4939820 ZWFPLZCOFDXTTA-UHFFFAOYSA-N 350.344 3.635 0 40 FHAB CO[C@@H](CNC(=O)c1cccc(Br)c1)c1cccc(F)c1 96388189 PTTYGFIQHRAFLH-HNNXBMFYSA-N 352.203 3.706 0 40 FHAB Cn1cc(-c2nc(C(=O)N3CCC(c4ccccc4)CC3)cs2)cn1 40144487 AKBNFNUJEUYDAF-UHFFFAOYSA-N 352.463 3.563 0 40 FHAB Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccccc2N2CCCC2)c1C 40157346 LBBYCSBUEDNEJL-UHFFFAOYSA-N 372.534 3.999 0 40 FHAB Cc1ccc(C(=O)NCC(=O)N(C)Cc2ccc(Cl)cc2Cl)s1 31594515 ZNQINBZTEMISID-UHFFFAOYSA-N 371.289 3.752 0 40 FHAB C[C@@H]1CCCC[C@]12NC(=O)N(Cc1ccc(Cl)c3cccnc13)C2=O 31645188 QZIMPHNSKJHCOZ-BLVKFPJESA-N 357.841 3.889 0 40 FHAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1c(F)cccc1Cl)CC(O)=N2 20738339 QESUESMGLBJXJJ-JTQLQIEISA-N 357.776 3.887 0 40 FHAB CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C)nnc1-c1cccnc1 32579422 UZLQVOJJEIEGCO-AWEZNQCLSA-N 367.478 3.788 0 40 FHAB COc1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 21183449 PHGCNORCWAZIKR-QGZVFWFLSA-N 351.855 3.778 0 40 FHAB CN(C)C1(CNC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)CCCCC1 102350620 VYVKAPQLOVROSA-FDCMFXBMSA-N 352.950 3.945 0 40 FHAB Cc1ccc(-c2cc(C(=O)O[C@@H]3CCOC3=O)c3ccccc3n2)c(C)c1 2659570 FUCRHNVYTVJSTO-HXUWFJFHSA-N 361.397 3.991 0 40 FHAB Cc1ccc(O)c(C(=O)c2cnc3c(c2)CN(CCC(C)C)C(=O)N3)c1 2654140 FNOQTUBJNOCAFZ-UHFFFAOYSA-N 353.422 3.720 0 40 FHAB O=C1OCCN1c1cccc(Nc2ncnc3c2cnn3-c2ccccc2)c1 46478950 UEODGIYLUWMWIL-UHFFFAOYSA-N 372.388 3.516 0 40 FHAB Nc1cccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)c1 827839 QRVFDKCVLVAUQQ-UJKMTWAASA-N 366.420 3.665 0 40 FHAB O=C(CSc1nccn1-c1ccccc1)c1ccc2c(c1)OCCO2 32801723 KSQQGAMQELZXRS-UHFFFAOYSA-N 352.415 3.619 0 40 FHAB N[C@@H](CCCCCC[C@H](N)C(=O)c1ccccc1)C(=O)c1ccccc1 1608382 JNYOLDUBIHISNF-PMACEKPBSA-N 352.478 3.747 0 40 FHAB C[C@@H]1Cc2ccccc2N1CCNC(=O)c1sccc1OC(F)F 78500612 SPZZUPXGDJVRGX-LLVKDONJSA-N 352.406 3.531 0 40 FHAB Cc1ccc(C(C)C)c(OC[C@H](O)CN2C(C)(C)CC(O)CC2(C)C)c1 6008996 GJCVAFLZCCMJTM-GOSISDBHSA-N 363.542 3.872 0 40 FHAB Cc1ccccc1NS(=O)(=O)c1cnc(Cl)c(Br)c1 6858626 JZITVKOVIUEVTG-UHFFFAOYSA-N 361.648 3.607 0 40 FHAB COc1ccc(NC(=O)COCc2cc(-c3ccco3)on2)cc1Cl 6876692 NJYZGICIDJYPOR-UHFFFAOYSA-N 362.769 3.752 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1SC[C@H]1CCCO1 7917931 FHJZQUFEWRDVRC-CQSZACIVSA-N 357.431 3.939 0 40 FHAB CCOc1ccc(N2C[C@H](C(=O)Oc3ccc(CC)cc3)CC2=O)cc1 7929199 HWRSRLRGPTZPBM-MRXNPFEDSA-N 353.418 3.606 0 40 FHAB Cc1cccc(C)c1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 8318997 FQCNIJHLLGTPBE-SFHVURJKSA-N 366.461 3.850 0 40 FHAB CCOc1ccc(Br)cc1CNCc1ccc2c(c1)OCO2 8324586 DOIPBRMUKZKMAZ-UHFFFAOYSA-N 364.239 3.866 0 40 FHAB CC(C)NC(=O)c1ccccc1NC(=O)c1cccc(Br)c1 58141233 ZFYPVDFLMUTZIT-UHFFFAOYSA-N 361.239 3.840 0 40 FHAB Cc1ccc(NC(=O)C(=O)NCCc2ccccc2Cl)cc1Cl 59498039 JVRRLAGENPVCOA-UHFFFAOYSA-N 351.233 3.599 0 40 FHAB O=C(c1ccc2ccccc2c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9514168 VLIFZNHSRHJMJD-UHFFFAOYSA-N 371.440 3.960 0 40 FHAB COc1ccccc1[C@H](CNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)N1CCCC1 105700081 YRFVYDVSOIHEBB-GNBUJSLZSA-N 356.510 3.775 0 40 FHAB COc1ccc(CN2C[C@@H](C(=O)Nc3ccc4ccccc4c3)CC2=O)cc1 28404137 IELMVDYSEQCZOM-IBGZPJMESA-N 374.440 3.836 0 40 FHAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(N(C)C)cc2)cc1 12543793 DNZZCIVQTJBYJP-UHFFFAOYSA-N 367.478 3.621 0 40 FHAB C[C@@H]1CCCN(C(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 3228159 FZPBSTNPCHAXMO-OAHLLOKOSA-N 363.885 3.954 0 40 FHAB Cc1[nH]c2ccc(C(=O)Nc3ccc(OCC(=O)N(C)C)cc3)cc2c1C 25654597 UFAXGERYDRSWBJ-UHFFFAOYSA-N 365.433 3.504 0 40 FHAB Cc1noc2nc(C3CC3)cc(C(=O)NCCCOCc3ccccc3)c12 25770068 BTVJIQANWDRXSR-UHFFFAOYSA-N 365.433 3.745 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1nnc(C(C)C)s1 26571815 GCJJKIHJCSSPHH-UHFFFAOYSA-N 359.430 3.855 0 40 FHAB O=C(CSc1ncc(-c2ccc(F)cc2)[nH]1)N1CCc2ccccc2C1 26569392 LBTFWAFHRHUJPV-UHFFFAOYSA-N 367.449 3.893 0 40 FHAB O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)Nc1c(F)cccc1F 3219445 HITMNVLYDFKQKN-UHFFFAOYSA-N 373.277 3.708 0 40 FHAB CN(C)c1ccccc1CNc1ccccc1S(=O)(=O)C(F)(F)F 97105413 LTTAPQJHISYXMI-UHFFFAOYSA-N 358.385 3.658 0 40 FHAB CC[C@@H](C)c1ccc(S(=O)(=O)NCCCc2nc(C(C)C)no2)cc1 58159571 SGZSMHPGZHXBQP-CQSZACIVSA-N 365.499 3.618 0 40 FHAB Cc1nc2cc(C(=O)N[C@@H]3CCSc4ccc(F)cc43)ccc2n1C 58159618 KDNYUJFMTIBPLH-OAHLLOKOSA-N 355.438 3.988 0 40 FHAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)NC[C@@H]1CCCN1C 58158576 AQMVFPYXMOWFTD-INIZCTEOSA-N 361.873 3.836 0 40 FHAB Cc1nc2ccccc2n1C[C@@H](O)COc1cccc(Br)c1 12602556 IANPWAXVHWJBNY-CQSZACIVSA-N 361.239 3.547 0 40 FHAB COC(=O)c1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2cc(C)ccc2C)C(=O)N1 72333311 VLUQUAPANNQIBD-IIBYNOLFSA-N 366.417 3.860 0 40 FHAB COc1cc(CNC(=O)COc2ccccc2)ccc1OC1CCCC1 48281512 USHJMDCZKCLKOP-UHFFFAOYSA-N 355.434 3.712 0 40 FHAB O=S(=O)(Cc1ccccc1)NC1(c2ccc(Br)cc2)CC1 48277589 MHXHDTUBRRBNDV-UHFFFAOYSA-N 366.280 3.558 0 40 FHAB CC(C)[C@@H](NC(=O)NCCc1nc2ccccc2[nH]1)c1ccc(F)cc1 10356796 QZAMJNWZDHQWFP-LJQANCHMSA-N 354.429 3.941 0 40 FHAB C[C@@H](SCc1ccccc1)C(=O)NCc1ccc(N2CCCC2)nc1 48230920 OFNKNRVWKWTPKN-MRXNPFEDSA-N 355.507 3.620 0 40 FHAB O=C(CCc1cccc(Cl)c1Cl)Nc1ccnn1C[C@@H]1CCOC1 58304691 WPJZIVHTHHYZFT-LBPRGKRZSA-N 368.264 3.798 0 40 FHAB CCCCn1nnnc1COc1ccc2c(c1)OC1(CCCCC1)CC2=O 58407281 LVNLNUBZYFHUBS-UHFFFAOYSA-N 370.453 3.720 0 40 FHAB O=C(CCOc1cccc(Cl)c1)NC1CCN(CC2CCCC2)CC1 58406603 RBUBKQIHNPYPJT-UHFFFAOYSA-N 364.917 3.880 0 40 FHAB Cc1cc(C)c2oc(C(=O)NC[C@H](c3cccs3)N(C)C)cc(=O)c2c1 28288307 SVHDJUNXGKKDJG-OAHLLOKOSA-N 370.474 3.504 0 40 FHAB Cc1c(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)oc2ccccc12 10774604 YWZYGDSUTWTZMD-UHFFFAOYSA-N 362.429 3.776 0 40 FHAB CCn1c(-c2ccccc2)c(C(=O)CN(C)Cc2nc[nH]n2)c2ccccc21 72308628 OTWMCTYSRDPQFV-UHFFFAOYSA-N 373.460 3.761 0 40 FHAB C[C@H]1CCC[C@@H](C)N1C(=O)CS(=O)(=O)Cc1ccc(C(C)(C)C)cc1 36396413 PMURXSZJHKJTIF-IYBDPMFKSA-N 365.539 3.688 0 40 FHAB Cc1nc2ccc(NC(=O)c3cc4c(C)nn(C)c4nc3C)cc2s1 29003756 UHDAIJIDYMKQFM-UHFFFAOYSA-N 351.435 3.756 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)c2cc(F)cc3[nH]cnc23)c(OC)c1 48316600 KKKPPRHWSNVXPD-QGZVFWFLSA-N 369.396 3.697 0 40 FHAB CCc1ccc(Cl)c(CC)c1NC(=O)Cn1cnc2ccccc2c1=O 3405981 PCYYPPGKFHIUGN-UHFFFAOYSA-N 369.852 3.813 0 40 FHAB Cc1ccccc1-n1c(S[C@H](C)C(N)=O)nnc1-c1ccc(Cl)cc1 3487605 ZIAORYNTGDYHBT-GFCCVEGCSA-N 372.881 3.862 0 40 FHAB CCOc1cc2c(cc1NC(=O)c1ccc(NC(C)=O)cc1)O[C@H](C)C2 12982277 NHDHEVSLAKQKCC-GFCCVEGCSA-N 354.406 3.619 0 40 FHAB Cc1n[nH]c(=O)c2c(NC(=O)CSc3ccccc3Cl)oc(C)c12 13011614 ASPTWMUCSSXEGS-UHFFFAOYSA-N 363.826 3.517 0 40 FHAB CN(CCSc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 13063520 AECIFHIBBRSJHY-UHFFFAOYSA-N 359.882 3.801 0 40 FHAB Cc1coc2cc3oc(=O)c(CC(=O)NCCCOC(C)C)c(C)c3cc12 4085199 JIHNDORHMZXPNQ-UHFFFAOYSA-N 371.433 3.630 0 40 FHAB biogenic C[C@@H](C(=O)NC[C@H](C)c1ccccc1)n1c(S)nnc1-c1cccs1 64334786 FDFCFDQJFNLJLP-STQMWFEESA-N 372.519 3.776 0 40 FHAB COCCCN1COc2ccc3c(=O)c(-c4ccccc4)coc3c2C1 13685649 ZIKUEESJSWRIHI-UHFFFAOYSA-N 351.402 3.648 0 40 FHAB biogenic Cc1ccc(OCCCCn2nnc3sc4c(c3c2=O)CCCC4)cc1 5182239 XBNCTFDXXSSZED-UHFFFAOYSA-N 369.490 3.899 0 40 FHAB COc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)c(OC)c1 6231862 UXYWCGFKTKCEQW-UHFFFAOYSA-N 355.312 3.740 0 40 FHAB CSc1ccc(/C=C/C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 6362920 RFOVJLYMJCWNFS-JVRRDZHLSA-N 361.507 3.906 0 40 FHAB CC(=O)c1ccc(N2CCN(CC(=O)c3cc(C)ccc3C)CC2)cc1 67206220 ZUGRASIFFAXHPZ-UHFFFAOYSA-N 350.462 3.511 0 40 FHAB COc1ccc(OCCNC(=O)Cc2csc(-c3cccs3)n2)cc1 14201020 PMXHPNACUXGYIU-UHFFFAOYSA-N 374.487 3.618 0 40 FHAB COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)NC(C)(C)C)cc1 14241353 NXNIPUOTEGTMPV-CQSZACIVSA-N 369.465 3.663 0 40 FHAB NC(=O)N[C@@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 14207255 DTCFSVNJHRSOSO-AWEZNQCLSA-N 352.221 3.732 0 40 FHAB CN(Cc1ccc(Cl)cc1)C(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 6530152 WDAANXSHHRDZRK-UHFFFAOYSA-N 374.912 3.631 0 40 FHAB Cc1cc(-c2nnn(C[C@H](O)c3ccccc3C(F)(F)F)n2)ccc1F 65976359 NHFMFQJTKWVRMQ-HNNXBMFYSA-N 366.318 3.540 0 40 FHAB O=S(=O)(N[C@@H]1CCSc2c(F)cccc21)c1cc(F)ccc1F 9154741 NBFXAXAQSHLUHX-CYBMUJFWSA-N 359.394 3.619 0 40 FHAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(OC(F)F)cc1 6664070 UXECLRXLTZDDDR-INIZCTEOSA-N 362.376 3.681 0 40 FHAB COc1ccc([C@@H]2SC[C@H]3C(=O)N(c4cccc(C)c4)C(=O)N23)cc1 4723402 HSPWABTZKCKEMH-WMZOPIPTSA-N 354.431 3.586 0 40 FHAB C[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)c1nc2ccccc2c(=O)[nH]1 5666526 UZNGONGPIVCGPC-SNVBAGLBSA-N 362.307 3.860 0 40 FHAB Cc1ccc(C(=O)[C@@H](Sc2nc(N)cc(N)n2)c2ccc(C)cc2)cc1 4894062 ZBZDLVAENUGRIB-IBGZPJMESA-N 364.474 3.974 0 40 FHAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1CC(=O)N(C2CCCC2)C1 7399335 VKVNMIXAUWAKAN-JTQLQIEISA-N 363.870 3.679 0 40 FHAB C[C@H](OC(=O)Cc1csc(-c2cccs2)n1)C(=O)Nc1ccccc1 7409818 LZICGMYTKCCQRJ-LBPRGKRZSA-N 372.471 3.985 0 40 FHAB COc1ccccc1-c1cc(COC(=O)c2cccc(NC(C)=O)c2)on1 9335886 VICCFQSFVQJOIB-UHFFFAOYSA-N 366.373 3.666 0 40 FHAB COc1ccc(-c2nc(CC(=O)NC3CCCCC3)cs2)cc1OC 7609003 KYXSWCDGLRMOFO-UHFFFAOYSA-N 360.479 3.819 0 40 FHAB CCCN(CC1CC1)C(=O)COC(=O)c1oc2ccc(OCC)cc2c1C 7780654 YTCXETDMNFDHGD-UHFFFAOYSA-N 373.449 3.945 0 40 FHAB COc1ccc(S[C@@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)cc1 7790595 YDWLUCWBKWHRLI-HNNXBMFYSA-N 372.490 3.548 0 40 FHAB CCNC(=O)NC(=O)[C@H](OC(=O)c1ccc(C(C)C)cc1)c1ccccc1 7780048 LRGKAKLMPYXHQU-GOSISDBHSA-N 368.433 3.554 0 40 FHAB O=C(CCc1cnn(-c2ccccc2)c1)Nc1ccc2c(c1)OC(F)(F)O2 16103888 XFDYAJCBTLOZFT-UHFFFAOYSA-N 371.343 3.765 0 40 FHAB O=C(CSc1nc2ccccc2[nH]1)Nc1ncc(Br)s1 8018707 JYSJAVVJISEQEQ-UHFFFAOYSA-N 369.269 3.513 0 40 FHAB O=C(NCCCn1ccnc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 8392012 SHVJADORFLUEDM-UHFFFAOYSA-N 363.339 3.982 0 40 FHAB Cc1ccc(NC(=O)CN(C)C(=O)Cc2ccc(Cl)cc2Cl)cc1 8375784 LIFZSMOBQQRLQV-UHFFFAOYSA-N 365.260 3.941 0 40 FHAB C[C@H](C(=O)Nc1ccccc1)[S@@](=O)Cc1cccc(C(F)(F)F)c1 69812384 QFOJCTQDRLIUAY-OIRASMEMSA-N 355.381 3.981 0 40 FHAB Cc1cc(-c2ccccc2)nc(SCc2nnnn2-c2ccccc2)n1 9637779 PLBPXZRAVCSLGO-UHFFFAOYSA-N 360.446 3.720 0 40 FHAB C[C@@H](Oc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc2c(c1)CCC2 9607801 JPYOVUBOHPVSON-OAHLLOKOSA-N 364.445 3.708 0 40 FHAB O=C(Nc1nc2c(s1)CCCC2)c1cc(Cl)c2c(c1)OCCO2 9748524 POFUWRUXELZKBH-UHFFFAOYSA-N 350.827 3.699 0 40 FHAB Cc1nc(C(F)(F)F)ccc1C(=O)NCc1cccnc1OC(C)C 84028746 BFRDAXZPRKKYMB-UHFFFAOYSA-N 353.344 3.521 0 40 FHAB C[C@@H]1CC(=O)CC[C@@H]1C(=O)OCc1nc2cc(C(F)(F)F)ccc2o1 95976515 BDIQRNZZHSVEKS-SKDRFNHKSA-N 355.312 3.895 0 40 FHAB COc1cc(C2=NN(C(C)=O)[C@H](c3ccc(C)cc3)C2)cc(OC)c1OC 95946111 LQXORVMLKFRHAH-SFHVURJKSA-N 368.433 3.718 0 40 FHAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 95963954 RAOOXEXJBWPTFX-MRXNPFEDSA-N 353.422 3.535 0 40 FHAB Nc1nc2c(c(-c3ccccc3)n1)CN(C(=O)c1ccc(Cl)s1)C2 67973844 XAPLPTNXJSZFCN-UHFFFAOYSA-N 356.838 3.597 0 40 FHAB CN(C(=O)c1scnc1C(C)(C)C)[C@H]1CCCN(c2ccccc2)C1=O 176848374 GVQBDZBULBRJRT-HNNXBMFYSA-N 371.506 3.708 0 40 FHAB CCc1cc(N2CCC(Nc3ncc(C(F)(F)F)s3)CC2)ncn1 302787314 WYFYWGQHKYQTHA-UHFFFAOYSA-N 357.405 3.595 0 40 FHAB COc1ccc(NS(=O)(=O)c2cc(C(C)C)ccc2OC)c(OC)c1 408701308 VZHGNJNUWMHODA-UHFFFAOYSA-N 365.451 3.637 0 40 FHAB CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2Cc2ccccc2)nc1C 72345513 OXDKFOOXLHNHQO-FQEVSTJZSA-N 366.509 3.994 0 40 FHAB Cc1c(-c2ccccc2)oc2c(C(=O)NCCn3cccc3)cccc2c1=O 524734441 FIRMULYAXXJDGF-UHFFFAOYSA-N 372.424 4.000 0 40 FHAB COc1cccc(C(=O)N[C@H](c2nc(-c3ccccc3)no2)C(C)C)c1 526052256 KQWPGXLHVIBTJG-KRWDZBQOSA-N 351.406 3.872 0 40 FHAB C[C@@H]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(I)cc2)C1 32109872 UKUJCWUKFVTSPO-GYSYKLTISA-N 357.235 3.846 0 40 FHAB O=C(Nc1cccc(CN[C@H]2CCCC[C@H]2O)c1)c1ccccc1Cl 78724810 RCRYPFVFSIVZMD-RBUKOAKNSA-N 358.869 3.985 0 40 FHAB Cc1cc(Oc2ccccc2)nc(C2CCN(C(=O)c3ccno3)CC2)n1 72362577 OWVKAEXIBIFXLK-UHFFFAOYSA-N 364.405 3.585 0 40 FHAB c1ccc(-c2cc(CC3(NCc4cnc5ccccc5c4)COC3)no2)cc1 72321925 SPSDJPCXHZELCF-UHFFFAOYSA-N 371.440 3.991 0 40 FHAB biogenic,in-vitro Cc1ccc(S(=O)(=O)NCc2cccnc2Oc2cccc(F)c2)cc1 32437743 MONJNCMFIZUOJQ-UHFFFAOYSA-N 372.421 3.800 0 40 FHAB O=S(=O)(Nc1cnc2ccccc2c1)c1ccc(Br)cc1 40429871 RLMOBLCMWKCLCX-UHFFFAOYSA-N 363.236 3.798 0 40 FHAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(O)cc2)c(OC)c1 40268237 YOAIJFIJXIXEGU-HNNXBMFYSA-N 365.389 3.719 0 40 FHAB COc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1C 224536735 OUKPERBZTQDZRD-UHFFFAOYSA-N 352.478 3.920 0 40 FHAB CCCCCNC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2)c1 224295174 ZFEVTQBGUZLPPU-UHFFFAOYSA-N 374.506 3.740 0 40 FHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)Cc1ccc(OC)c(C)c1 224730010 PUNBXHRHEHBZDO-SFHVURJKSA-N 369.461 3.973 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1nnc(SC(C)C)s1 225845992 QRUZTCPQVDDUET-NSHDSACASA-N 355.460 3.974 0 40 FHAB O=C(Nc1cnc(Oc2ccccc2)nc1)c1ccc(Br)o1 77101354 AODUVKXOZPIBHC-UHFFFAOYSA-N 360.167 3.877 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1cc(OC)ccc1OC 224929057 WCQLFPIGNQJMLP-ACJLOTCBSA-N 361.413 3.878 0 40 FHAB C[C@H](COc1ccccc1)NC(=O)COc1cccc(C(F)(F)F)c1 225814797 IRHGLENOSFICSM-CYBMUJFWSA-N 353.340 3.668 0 40 FHAB CCOC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 225041639 QINCPHBHFOGWDO-UHFFFAOYSA-N 369.442 3.598 0 40 FHAB CCCNC(=S)Nc1nc(N2CCCC[C@@H]2C)cc(C(F)(F)F)n1 225886974 JQDCLQPLIZKXSP-JTQLQIEISA-N 361.437 3.571 0 40 FHAB CCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cc(C)ccc1OC 41077006 XLONICMZSFKCPC-UHFFFAOYSA-N 365.433 3.899 0 40 FHAB CCOc1ccc(C(=O)NCCCc2ccccc2OC)cc1OCC 225063653 IDMMVHLBYKIEJA-UHFFFAOYSA-N 357.450 3.855 0 40 FHAB O=C(NCc1ccnc(-c2ccsc2)c1)c1cccc(-n2cccn2)c1 225757057 RMJYUMHIBDQTMG-UHFFFAOYSA-N 360.442 3.926 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CCc1c(C)noc1C 96232503 MBRGQUJTORMDDW-LJQANCHMSA-N 367.449 3.908 0 40 FHAB Cc1ccc(NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)cc1 91690223 KKFVILLPQBHEEW-UHFFFAOYSA-N 352.434 3.982 0 40 FHAB O=C(Nc1ccc2c(c1)OCCCO2)N1CCc2c([nH]c3ccccc23)C1 90000481 AMOFFBKGTAGTRW-UHFFFAOYSA-N 363.417 3.919 0 40 FHAB biogenic O=C(NCc1ccccc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1c1nc(O)c2ccccc2n1 253500857 VMLGKNQIBCPOOP-FEHORTKBSA-N 371.440 3.558 0 40 FHAB C[C@@]12C[C@H](c3ccccc3)N(C(=O)C3CCCCC3)[C@@H]1CCC[C@H](O)[C@@H]2O 257331736 XUASQKFIUBJIQX-HVJVJISESA-N 371.521 3.821 0 40 FHAB CCc1noc([C@@H]2CC[C@H](NC(=O)N3CCc4c(Cl)cccc43)C2)n1 1685475458 UUNJFICGERJSFU-NEPJUHHUSA-N 360.845 3.694 0 40 FHAB CC1(C)[C@H](CNC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1(F)F 660513303 FSAJDAYUUAUUSZ-ZFWWWQNUSA-N 371.497 3.551 0 40 FHAB O=C(c1c(F)cccc1Cl)N1CC[C@@H](Oc2ccncc2Cl)C1 575413949 WWMPCJRCQISNDJ-SNVBAGLBSA-N 355.196 3.821 0 40 FHAB O=C(Nc1cccc(-n2ccnc2)c1)c1cccc(NC(=O)c2ccco2)c1 55409045 OSMSFPMLEGDETM-UHFFFAOYSA-N 372.384 3.970 0 40 FHAB Cc1cc(C(F)(F)F)nc(CCNC(=O)C23CC4CC(CC(C4)C2)C3)n1 75170696 XFPOIZWQVZBBSN-UHFFFAOYSA-N 367.415 3.679 0 40 FHAB O=C(NCC1CCN(c2ccncc2)CC1)N[C@@H]1C[C@H]1C1CCCCC1 93127526 UBZNZGOMXKNHMA-VQTJNVASSA-N 356.514 3.566 0 40 FHAB COc1ccc2cc(C(=O)N3CC[C@@]4(CCc5ccccc5O4)C3)[nH]c2c1 517788908 BXCBLYDCXZOWTH-QFIPXVFZSA-N 362.429 3.786 0 40 FHAB CC(=O)N1CC2(CCN(Cc3cscn3)CC2)C[C@H]1Cc1ccccc1 1615154983 IZXIASUJZFWRDJ-HXUWFJFHSA-N 369.534 3.589 0 40 FHAB CCOc1ccc(N(C(=O)C(C)(C)C)S(=O)(=O)c2ccccc2)cc1 11990498 SCPXKAYYTUETOM-UHFFFAOYSA-N 361.463 3.853 0 40 FHAB COc1ccc([C@@H]2CN(Cc3cccc(OC)c3)C[C@H]2c2cc[nH]n2)cc1 12128510 WSXMGCOQYDZWDR-LEWJYISDSA-N 363.461 3.810 0 40 FHAB Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1 12293459 GHBIVWOYBSZXEM-PMACEKPBSA-N 371.452 3.518 0 40 FHAB C[C@H]1CCc2c(sc3ncnc(NCCc4nnc5ccccn45)c23)C1 18062231 QYNJRXLVNKUCAF-LBPRGKRZSA-N 364.478 3.513 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)c3cc(-c4ccccc4F)no3)ccc21 19019221 JTSJGQGGFUNOPC-UHFFFAOYSA-N 365.364 3.642 0 40 FHAB CC(=O)N1C[C@H](c2cccc(C)c2)[C@H]2CN(Cc3cccs3)CC[C@H]21 19235244 PNZLSDRPTIDXQR-NJDAHSKKSA-N 354.519 3.893 0 40 FHAB CC[C@@H](CN1CCCC1)n1cncc1-c1cnn(-c2ccc(F)cc2)c1 19719680 CQFNADHZVVWXTF-SFHVURJKSA-N 353.445 3.922 0 40 FHAB O=C(CSc1nnc(-c2ccccc2Cl)o1)N[C@@H]1C[C@H]2CC[C@@H]1C2 19928097 IKYCUVQDHMUTNY-MISXGVKJSA-N 363.870 3.787 0 40 FHAB COc1ccc(CNC(=O)Cc2c(Cl)cccc2Cl)cc1OC 6897688 MQWSLELYNRYUDY-UHFFFAOYSA-N 354.233 3.870 0 40 FHAB C[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)OCCO2 20537558 CGDIYSLDOMHMOG-BUBBNXEVSA-N 356.466 3.787 0 40 FHAB Cc1ccc([C@@H](NC(=O)CCNC(=O)Nc2ccccc2)C2CC2)cc1 25160910 BUFMQWQZCUWJSX-HXUWFJFHSA-N 351.450 3.774 0 40 FHAB CC(C)CC[C@H](C)NC(=O)CSc1nc(CCC2CCCC2)n[nH]1 29621927 DKDKGCCGGNXQMT-AWEZNQCLSA-N 352.548 3.961 0 40 FHAB COc1cccc(CN(CC(=O)O)C2CCN(c3ccccc3C)CC2)c1 2037872607 YFCPJTIMOILQRY-UHFFFAOYSA-N 368.477 3.559 0 40 FHAB COc1ccc(CNC(=O)N[C@H](c2cccs2)C2CCOCC2)cc1 1565523882 ZWTCATGGNDRFDF-SFHVURJKSA-N 360.479 3.724 0 40 FHAB COc1cccc(NC(=O)NC[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 9040176 KWDGINDQXPWNQX-CYBMUJFWSA-N 373.840 3.523 0 40 FHAB C[C@@H]1C[C@@H](C)CN([C@H](c2ccc(F)cc2)c2sc3ncnn3c2O)C1 102825251 WKCKYDHEKIQGKJ-LALPHHSUSA-N 360.458 3.703 0 40 FHAB CCOC(=O)N1CCc2cc(-n3c(=S)[nH]c4ccccc4c3=O)ccc21 50049678 RYNGLHWKTNDXAW-UHFFFAOYSA-N 367.430 3.567 0 40 FHAB O=C(COc1cccc2c1CCC[C@H]2O)Nc1ccccc1OC(F)F 32691363 ZSYPKGIYULTIMU-OAHLLOKOSA-N 363.360 3.675 0 40 FHAB O=C1C[C@@H](C(=O)N(Cc2ccccc2)c2ccccn2)CN1c1ccccc1 21346367 ZDOWTJMXVAFAJS-LJQANCHMSA-N 371.440 3.668 0 40 FHAB COc1ccc(-n2cnnc2S[C@H](C)C(=O)c2ccc(C)cc2)cc1 2653687 ONNZESUHDILCHX-CQSZACIVSA-N 353.447 3.948 0 40 FHAB CC(C)(C)Nc1nnc(S[C@H](C(=O)NC2CC2)c2ccccc2)s1 32841167 XJDKDNGKFPQHFM-ZDUSSCGKSA-N 362.524 3.861 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C)cc1Cl 780178 OOMBLTYHKCQGDZ-UHFFFAOYSA-N 362.842 3.768 0 40 FHAB CCN(Cc1ccccc1)C1CCN(Cc2ccc3c(c2)OCO3)CC1 1457328 FHXJPZAYKYYQOJ-UHFFFAOYSA-N 352.478 3.902 0 40 FHAB COc1cc(Br)cc(C(=O)N2CCc3ccccc32)c1OC 1563927 JKYHLVSDILZKAC-UHFFFAOYSA-N 362.223 3.669 0 40 FHAB COc1ccc(NC(=O)c2ccc(CSc3nc(C)cc(C)n3)o2)cn1 79474357 NDPNNIGJKPEJRR-UHFFFAOYSA-N 370.434 3.635 0 40 FHAB Cc1ccc2nc3c(c(C(=O)OCC(=O)NCCC(C)C)c2c1)CCCC3 2635571 FIWCYSAENUDQPX-UHFFFAOYSA-N 368.477 3.741 0 40 FHAB O=c1c2oc3ccc(Br)cc3c2nc2n1Cc1ccccc1-2 4084180 HSCUENUUCLKNNQ-UHFFFAOYSA-N 353.175 3.934 0 40 FHAB biogenic COc1ccc([C@@H]2Nc3nonc3N=C3CC(C)(C)CC(O)=C32)cc1OC 102742058 ICSSJJHZABFOJP-INIZCTEOSA-N 370.409 3.958 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1noc(-c2ccccc2C)n1 21806698 PYGHZQUOMHFBDO-MRXNPFEDSA-N 355.369 3.980 0 40 FHAB CCc1cc2c(C)ccc(C)c2nc1SCC(=O)Nc1nonc1C 4849489 ULIYIAUECJSQNO-UHFFFAOYSA-N 356.451 3.836 0 40 FHAB Cc1cc(C)nc(N2CCC[C@H](C(=O)Nc3ccc(C)c(Cl)c3)C2)n1 4967690 ZNDGILXDPUWKJQ-HNNXBMFYSA-N 358.873 3.910 0 40 FHAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1csc(-c2ncccn2)n1 47195734 PBYGBQGCNKKCMD-UHFFFAOYSA-N 366.324 3.751 0 40 FHAB COc1cccc(-c2nc(S)c3c(n2)Oc2c(cccc2OC)C3)c1O 6009481 RJZLJYHOHGVWQM-UHFFFAOYSA-N 368.414 3.852 0 40 FHAB CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1F 6711111 LSFUWNCKXBUHBJ-UHFFFAOYSA-N 356.426 3.835 0 40 FHAB COC(=O)c1ccc([C@@H]2Nc3c(C(=O)OC)cccc3[C@@H]3OCC[C@H]23)cc1 6950466 FNZQVYHOIXGBEJ-AYBZRNKSSA-N 367.401 3.504 0 40 FHAB CC(=O)NCc1ccc(C(=O)COc2ccc(Cl)cc2Cl)s1 7339247 DGLSGDDTINPGKF-UHFFFAOYSA-N 358.246 3.953 0 40 FHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2cccs2)n2ncnc2N1 2918100 YIKVKRPCQNDXNT-KRWDZBQOSA-N 365.462 3.884 0 40 FHAB CN(C)[C@@H](CNC(=O)c1ccc(COc2ccc(F)cc2)o1)c1ccco1 22381192 IZMQUPXKSBHTQU-KRWDZBQOSA-N 372.396 3.623 0 40 FHAB CNC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 53493039 BKAMXXUQHVFMAJ-UHFFFAOYSA-N 354.841 3.964 0 40 FHAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccco2)n1C 813895 RVRHHAKNAGWDNR-UHFFFAOYSA-N 362.842 3.768 0 40 FHAB Cc1ccccc1-c1noc(CN2CCN(c3ccccc3F)CC2)n1 23697713 WODLIWKNAJXFIP-UHFFFAOYSA-N 352.413 3.506 0 40 FHAB CSc1ccc(N2C[C@H](C(=O)N3c4ccccc4C[C@H]3C)CC2=O)cc1 24228101 NFCRTQMHQOQDOI-GDBMZVCRSA-N 366.486 3.739 0 40 FHAB COC(=O)c1sccc1Oc1cc(C(F)(F)F)nc(SC)n1 1386981 MPRZWHLMJKHDND-UHFFFAOYSA-N 350.343 3.858 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ncnc3ccccc23)c1 3245621 IXFMQDPWRQQYPL-CYBMUJFWSA-N 351.431 3.952 0 40 FHAB C[C@@H](Sc1nnc(NC[C@H]2CCCO2)s1)C(=O)c1ccc(F)cc1 25043545 UTHLYMFOVLFDKO-ZWNOBZJWSA-N 367.471 3.632 0 40 FHAB COc1ccc(C2(C(=O)N[C@@H](C)CCc3ccccc3)CCOCC2)cc1 1421268 RTTIADAELZDHCN-SFHVURJKSA-N 367.489 3.881 0 40 FHAB CC(=O)c1ccc(NC(=O)NCc2cccc(NC(=O)C(C)C)c2)cc1 25241576 CBSIVTBDRPNSBN-UHFFFAOYSA-N 353.422 3.805 0 40 FHAB O=C(COC(=O)c1ccc(Br)o1)Nc1ccc2ccccc2c1 3262160 RXQHMICHDNDSOF-UHFFFAOYSA-N 374.190 3.991 0 40 FHAB O=S(=O)(Nc1ccccn1)c1ccc(Br)c2ccccc12 1518024 SMJSAJYTELOADB-UHFFFAOYSA-N 363.236 3.798 0 40 FHAB CCOc1ccc2cc(C(=O)N(C)Cc3cc(C(=O)OC)c(C)o3)[nH]c2c1 48296935 SWKAUTKJNOJBEZ-UHFFFAOYSA-N 370.405 3.527 0 40 FHAB C[C@H](c1nc2ccccc2s1)N(C)C[C@H](O)COc1ccc(F)cc1 36033829 SMTLLCZTTANBQR-HIFRSBDPSA-N 360.454 3.868 0 40 FHAB Cc1oc(C2CC2)cc1C(=O)N1[C@@H]2CC[C@@H]1CC(O)(c1cccnc1F)C2 100142652 FWKVQGMBNPNGOI-HUUCEWRRSA-N 370.424 3.654 0 40 FHAB CC(C)CC[C@H](C)NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 12747108 VTVNVCRMRQRDLG-AWEZNQCLSA-N 359.495 3.879 0 40 FHAB Cc1ccc(NC(=O)N2CCN(CCOc3ccccc3Cl)CC2)cc1 58481733 DWPHUXNESSERTE-UHFFFAOYSA-N 373.884 3.877 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 175116245 RXWYJUUEOUNLID-XJKSGUPXSA-N 359.397 3.632 0 40 FHAB COc1ccc(C2(CNC(=O)c3ccccc3Cl)CCOCC2)cc1 2264166 FZKOQGDJBVLTPA-UHFFFAOYSA-N 359.853 3.827 0 40 FHAB Cc1nnc(NC(=O)CCn2ccc3ccc(Br)cc32)s1 36360761 ANGPCSOOJBJSKY-UHFFFAOYSA-N 365.256 3.593 0 40 FHAB COC(=O)Cc1c(C)c2ccc(OCc3ccc(F)cc3)c(C)c2oc1=O 2370621 SATYACRIILXQET-UHFFFAOYSA-N 370.376 3.843 0 40 FHAB Cc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)O)cc2C)cc1Cl 20152313 VATBUOUBAZFCAO-UHFFFAOYSA-N 362.838 3.782 0 40 FHAB Cc1cc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)ccc1Cl 409412059 QPSRKJJISKVQFW-UHFFFAOYSA-N 365.216 3.666 0 40 FHAB C[C@@H](OC(=O)CCc1ccccc1)C(=O)Nc1ncc(Cl)cc1Cl 6375361 KQLOIXMZMVGAKN-LLVKDONJSA-N 367.232 3.891 0 40 FHAB CCCn1ccnc1S[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OCC)c1C 14095572 VYWUAMDSZWBLQI-CYBMUJFWSA-N 363.483 3.778 0 40 FHAB COc1ccc(NC(=O)NCCC(=O)Nc2ccc(Cl)cc2C)cc1 14105336 CECJUKAJQQVTHH-UHFFFAOYSA-N 361.829 3.807 0 40 FHAB CC(=O)Nc1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 4738948 OTMHBMOQCYRLTK-UHFFFAOYSA-N 357.435 3.509 0 40 FHAB CCOc1ccccc1NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 4965645 HAVWDUPMICVCMS-INIZCTEOSA-N 367.449 3.968 0 40 FHAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)Nc1nc2ccccc2s1 9155108 OGCPUOAGZVGUMM-UHFFFAOYSA-N 373.488 3.918 0 40 FHAB Cn1c(SCC(=O)N2CCC[C@@H]3CCCC[C@H]32)nnc1-c1ccccc1 7329700 CLZWLVZNASMJJJ-DOTOQJQBSA-N 370.522 3.755 0 40 FHAB Cc1cc(CN2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)no1 26463537 MWXAKCUXYAOBQR-HNNXBMFYSA-N 354.237 3.893 0 40 FHAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)N(C)CC12CC3CC(CC(C3)C1)C2 16439251 QXIXMWGHCAVDHD-SIHNGCNOSA-N 358.530 3.512 0 40 FHAB C[C@@H]1Oc2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2NC1=O 8014773 LWEQMNKUOXNPFD-VIFPVBQESA-N 366.295 3.557 0 40 FHAB C[C@@H](NC(=O)CNC(=O)c1ccccc1Cl)c1cc2ccccc2o1 8238639 BZIZUONYMMWSLQ-GFCCVEGCSA-N 356.809 3.693 0 40 FHAB COc1cc(/C=C/c2cc(C(=O)O)c3ccccc3n2)cc2c1OCCO2 8320946 XDOKRVBMLBOOHM-VOTSOKGWSA-N 363.369 3.883 0 40 FHAB C[C@@H](Sc1nc2ccccc2c(=O)n1C)C(=O)c1c[nH]c2ccccc12 9548730 CCXWTPZYPZPMRD-GFCCVEGCSA-N 363.442 3.778 0 40 FHAB CCOCc1cc(C(=O)Nc2cc(OC)c(OC)cc2C)ccc1OC 24274689 RYCFIURIWLUKBN-UHFFFAOYSA-N 359.422 3.810 0 40 FHAB O=C(Cc1cccc2ccccc12)Nn1c(-c2ccco2)n[nH]c1=S 9647731 VGVNLDKMFURAJG-UHFFFAOYSA-N 350.403 3.667 0 40 FHAB CC[C@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(OC)cc1 24616145 ITNFFEJEIMNSQK-SFHVURJKSA-N 355.434 3.667 0 40 FHAB COc1ccc2cc(CNC(=O)c3cncn3-c3ccccc3)ccc2c1 9760685 WVUCQSGHUYMNCS-UHFFFAOYSA-N 357.413 3.964 0 40 FHAB Cc1cc(NC(=O)N2CC[C@@H](CN3CCCC3)C2)ccc1Br 95406046 KNIOVEVCQOEOIV-AWEZNQCLSA-N 366.303 3.707 0 40 FHAB O=C(Nc1cc2nc(O)[nH]c2cc1N1CCCCC1)c1ccccc1F 408537180 ZJSCNSHNIHCKKA-UHFFFAOYSA-N 354.385 3.650 0 40 FHAB CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OC(C)C)cc3)C(=O)[C@@H]21 408621089 LDTLPNHMFKINFL-FPAYPSAMSA-N 365.429 3.510 0 40 FHAB C[C@H](C(=O)N(C)Cc1ccc(Cl)s1)n1ccc(C(F)(F)F)n1 1523180080 QWBVVWFFYCTDTG-MRVPVSSYSA-N 351.781 3.836 0 40 FHAB Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccccc3C)n2)c1 219290681 FAWUIIDDZLQUEG-INIZCTEOSA-N 365.433 3.779 0 40 FHAB Cc1cnc(NC(=O)Cn2ccc3ccc(Br)cc32)s1 36366489 LGGFYUZQZBNOCR-UHFFFAOYSA-N 350.241 3.807 0 40 FHAB Cc1ccc(C)c([C@H](C)NC(=O)NCc2ccc(N3CCCC3=O)cc2)c1 32863064 BUYRNSRWAUEPFM-KRWDZBQOSA-N 365.477 3.991 0 40 FHAB CCOC(=O)c1cnc(SCc2ccc(Cl)c(Cl)c2)nc1N 32207438 YEYONVINNBVJJJ-UHFFFAOYSA-N 358.250 3.835 0 40 FHAB O=C(NCCNC(=O)C1(c2cccc(Cl)c2)CCCCC1)c1ccco1 32908740 IKXYKPRDHXKAJU-UHFFFAOYSA-N 374.868 3.681 0 40 FHAB CN(C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)C1CCCC1 30854991 MGTDLCJJUHBVNR-UHFFFAOYSA-N 358.463 3.502 0 40 FHAB O=C(NCc1ccccc1-n1ccnc1)c1ccc(CN2CCCCC2)cc1 44932400 LIXGCYSWKRHLJR-UHFFFAOYSA-N 374.488 3.788 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)NCCOc1ccc(C)c(Cl)c1 224168762 YIJSWYFNRVIDBO-AWEZNQCLSA-N 363.841 3.620 0 40 FHAB COC(=O)N1CCc2ccccc2[C@@H]1C(=O)Nc1cccc2ncccc12 75165746 YGWFFHXNDQOFAQ-LJQANCHMSA-N 361.401 3.539 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)NCCOc1ccc2ccccc2c1 223646042 JCTWKXZBPVGASQ-UHFFFAOYSA-N 359.422 3.645 0 40 FHAB CCN(CC)CCN(CC(C)C)C(=O)/C=C/c1cc(OC)cc(OC)c1 40089852 DPAVQLBGXOSIJK-MDZDMXLPSA-N 362.514 3.543 0 40 FHAB COc1ccc(OC)c(C[C@H](Oc2ccc3ccccc3c2)C(=O)O)c1 225115997 OVKMTTJBPFMKJH-FQEVSTJZSA-N 352.386 3.932 0 40 FHAB CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 572702800 MIPSDYQLVMXBEF-NXHRZFHOSA-N 358.486 3.561 0 40 FHAB CCN(CC)CCNc1nc(Cl)nc(Nc2cccc(Cl)c2)n1 199799915 PWIROHXYEGGIHT-UHFFFAOYSA-N 355.273 3.676 0 40 FHAB O=C(CSc1ccc(F)cc1)N1CC[C@H](c2noc(-c3ccco3)n2)C1 238953118 XJFLFDVLXDAOAQ-LBPRGKRZSA-N 373.409 3.577 0 40 FHAB Cc1ccsc1CN1CCC[C@]2(C[C@H](OCc3ccncc3)CO2)C1 96205930 HDWUAYXTQDVIGE-ICSRJNTNSA-N 358.507 3.792 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)N1CCC(Oc2ncccc2Cl)CC1 96024795 XWDVSIVBAOJMNG-AWEZNQCLSA-N 360.841 3.572 0 40 FHAB Cn1cc([C@H]2SCC(O)=Nc3ncn(-c4cccc(Cl)c4)c32)cn1 95475827 MACPUKBRHQAOAZ-OAHLLOKOSA-N 359.842 3.683 0 40 FHAB Cc1ccc(CN2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)o1 96040096 NRNMFJVMMBDKMM-NHCUHLMSSA-N 356.466 3.571 0 40 FHAB C[C@@H]1c2ncc(COCc3ccncc3)n2CCN1Cc1ccsc1 96109886 IBKPOEQHGXTHIK-OAHLLOKOSA-N 354.479 3.633 0 40 FHAB O=C1CC2(CCN(Cc3ccco3)CC2)c2ccccc2N1c1cncnc1 96080278 HKDMCNGGRHNERQ-UHFFFAOYSA-N 374.444 3.672 0 40 FHAB CCN(Cc1ccccc1)c1nn(-c2cccc(Cl)c2)nc1C(=O)O 256046097 CQTLXBOVYSMRFJ-UHFFFAOYSA-N 356.813 3.645 0 40 FHAB CCOc1ccccc1NC(=O)NCCc1nc(-c2cccs2)cn1C 85471225 AFDHIRIQJBLJMK-UHFFFAOYSA-N 370.478 3.912 0 40 FHAB COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CCC[C@H](N2CCCC2)C1 611661179 KINQZWWTAFJPFB-SUMWQHHRSA-N 371.308 3.768 0 40 FHAB C[C@@H](c1ccccc1)N(C(=O)Cc1nnn(C(C)(C)C)n1)C1CCCC1 622866088 QRTLWUZDXSSOKR-HNNXBMFYSA-N 355.486 3.503 0 40 FHAB O=C(NCCn1ccc(-c2cccs2)n1)c1nc2ccccc2s1 96103830 OITLUBKZIIXRJM-UHFFFAOYSA-N 354.460 3.651 0 40 FHAB Cn1cncc1-c1cncc(C2CCN(Cc3cccc4[nH]ccc34)CC2)n1 585182579 ZBTIXQJNZWSAHB-UHFFFAOYSA-N 372.476 3.738 0 40 FHAB CN(C(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1)C1CCCCC1 57376051 XAECNESNYMTKHI-UHFFFAOYSA-N 365.857 3.637 0 40 FHAB C[C@@H]1CCCN(C(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)CC1 62927918 COANOFCJODKKCS-SNVBAGLBSA-N 350.768 3.938 0 40 FHAB CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(Br)o1 40159673 ABNOKTMLXJKEJL-UHFFFAOYSA-N 358.619 3.847 0 40 FHAB CC[C@H](C)COc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1 5030187 FBIPVSYNFYEHGF-AWEZNQCLSA-N 371.462 3.856 0 40 FHAB CCOC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1 5356433 FOLICICSZPLLNX-UHFFFAOYSA-N 371.437 3.652 0 40 FHAB Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 5636580 WPPFTIHDLRDEDQ-UHFFFAOYSA-N 372.490 3.730 0 40 FHAB O=C(c1cc(-c2ccco2)n[nH]1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 12116121 LTRXZSZITSLJPB-QGZVFWFLSA-N 361.405 3.913 0 40 FHAB Cc1oc(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(-n2cnnc2)c1 12148230 ZAFFIFVWBWWOHZ-UHFFFAOYSA-N 363.352 3.622 0 40 FHAB Cc1cccc(NC(=O)[C@@H](C)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 12327057 HNEHWWHRIBAYFK-MSOLQXFVSA-N 365.477 3.673 0 40 FHAB CCOc1ccccc1C(=O)N(C)Cc1cc2ccc(C)cc2nc1O 13479856 RUDLFZXHULBZHO-UHFFFAOYSA-N 350.418 3.920 0 40 FHAB CCC[C@H](C(=O)N(C)C[C@@H]1OCCc2ccccc21)n1nc(C)cc1C 19501775 WAKBPULMDUSNHT-UXHICEINSA-N 355.482 3.614 0 40 FHAB CCN1CCC[C@@H]1CNc1ncc(-c2cnccn2)c(-c2cccs2)n1 19527270 FAQNDSLDLFDKPR-CQSZACIVSA-N 366.494 3.558 0 40 FHAB Cn1cc(C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)c2ccccc21 5703414 NYGMITHBRZMDDP-IBGZPJMESA-N 362.429 3.529 0 40 FHAB Cc1ccc(NC(=O)c2oc3ccccc3c2C)cc1S(=O)(=O)N(C)C 15313051 ZCQYWILMHGVJOX-UHFFFAOYSA-N 372.446 3.552 0 40 FHAB CC(=O)N1CCC(Cc2cncc(-c3cnc(CC(C)C)s3)n2)CC1 1848355369 XHPCSWRWERBHJW-UHFFFAOYSA-N 358.511 3.600 0 40 FHAB Cc1nc(NC(=O)c2cn(-c3ccccc3)nn2)sc1-c1ccccc1 31967684 FUVYXNNYMKAQCG-UHFFFAOYSA-N 361.430 3.952 0 40 FHAB CCCOc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(OCC)cc2)cc1 3623691 WFKKZAHRCGCMFC-LJQANCHMSA-N 371.433 3.820 0 40 FHAB Fc1ccc(CSc2ncnc3c2nnn3Cc2ccccc2F)cc1 4166531 VMXMFEORWQFGPT-UHFFFAOYSA-N 369.400 3.840 0 40 FHAB CC(C)CN1C(=O)CCc2cc(NC(=O)COc3ccccc3F)ccc21 9137795 CJFSUQKOUJZCBH-UHFFFAOYSA-N 370.424 3.778 0 40 FHAB CCc1ccc(N2C(=O)[C@H]3N=NN(c4ccc(F)c(Cl)c4)[C@H]3C2=O)cc1 101261214 SVLZSRCPZWECJR-JKSUJKDBSA-N 372.787 3.539 0 40 FHAB O=C(NCc1nc(C2CCCCC2)cs1)c1cnn(-c2ccccc2)n1 575413975 VTKAGKOOXJESAO-UHFFFAOYSA-N 367.478 3.702 0 40 FHAB Cc1ccc([C@H](c2sc3ncnn3c2O)N2C[C@H](C)C[C@@H](C)C2)cc1 102825219 QSFMLTRNMJEJIR-IIAWOOMASA-N 356.495 3.872 0 40 FHAB O=S(=O)(Oc1ccc(Oc2ccccn2)cc1)c1cc(F)ccc1F 40050425 FVEYPRCPCXKXLS-UHFFFAOYSA-N 363.341 3.920 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)Nc1ccc(N2CCN(C)CC2)cc1 40104081 GWPSBJHPAHWWNM-GOSISDBHSA-N 366.509 3.581 0 40 FHAB CCn1c(=O)n2nc(-c3ccccc3)nc2c2c(CC(C)C)csc21 32100530 ZYBZINBEMQYRCS-UHFFFAOYSA-N 352.463 3.991 0 40 FHAB CC(C)CCCN1CC[C@H](N2CCN(C3CCCCC3)CC2)CCC1=O 20999759 VPJOODYMLMVMPB-OAQYLSRUSA-N 363.590 3.754 0 40 FHAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCc2ccccc21)c1ccccc1 21278167 NRXKEZOSCVNUPD-OAQYLSRUSA-N 370.452 3.617 0 40 FHAB Cc1ccc(OC(=O)C2CCC(N3C(=O)[C@H]4CCCC[C@H]4C3=O)CC2)cc1 102086975 UKMCVZAYRRNQTQ-JVPGXQPFSA-N 369.461 3.634 0 40 FHAB COc1ccc([C@H](CNC(=O)c2oc3c(F)cccc3c2C)N(C)C)cc1 32780881 FIQNCDXMRALEIY-SFHVURJKSA-N 370.424 3.922 0 40 FHAB CC(C)(C(=O)Nc1ccc(OC(F)F)cc1)c1ccc2c(c1)OCCO2 60213147 QXZWHXPGDNZZSO-UHFFFAOYSA-N 363.360 3.976 0 40 FHAB CC(C)n1c(SCC(=O)Nc2ccccc2)nc2ccccc2c1=O 2633403 SJMRYRPZNZMOBS-UHFFFAOYSA-N 353.447 3.708 0 40 FHAB CCCOc1c(Cl)cc(C(=O)O[C@H](C)C(=O)NC(C)C)cc1OCC 12091267 IPNDJLFJKCPXDJ-GFCCVEGCSA-N 371.861 3.597 0 40 FHAB NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)C1 32842499 WZGAYQCKONCZFK-CYBMUJFWSA-N 373.840 3.862 0 40 FHAB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccccc2)CC1=O 990222 LTKYIJYADCHQHG-MRXNPFEDSA-N 356.809 3.780 0 40 FHAB CCn1c(SCC(=O)c2ccc(C)cc2)nnc1-c1ccccc1N 1364495 SMWLVJHGSSOXKC-UHFFFAOYSA-N 352.463 3.831 0 40 FHAB Cc1cc(NC(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)no1 32889695 AHKFEEOQERHKIM-UHFFFAOYSA-N 369.421 3.614 0 40 FHAB CCc1ccc(Nc2nnc(SCC(=O)N[C@H](C)CC)s2)cc1 3461249 QQEXNDMATBESPN-LLVKDONJSA-N 350.513 3.851 0 40 FHAB CCn1c(S[C@H](C)C(=O)N2CCC(C)CC2)nnc1-c1cccs1 4516551 HOFNFCXMXYQLNX-CYBMUJFWSA-N 364.540 3.766 0 40 FHAB CCc1nc(NCCNC(=O)c2ccco2)c2c3c(sc2n1)CCCC3 4848585 DCJMTJKXTNWIDN-UHFFFAOYSA-N 370.478 3.567 0 40 FHAB N=c1oc2cc(O)ccc2cc1C(=O)Nc1ccc(Br)cc1 4866105 QTLIUNCITNUHDB-UHFFFAOYSA-N 359.179 3.633 0 40 FHAB CCOC(=O)N[C@H](CC(=O)Nc1ccc(OCC)cc1)c1ccccc1 6351320 JNMBRVKNDKQUKD-GOSISDBHSA-N 356.422 3.901 0 40 FHAB CCc1ccc(C(=O)COC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 7777603 KOZHHMKNHIAVHZ-FQEVSTJZSA-N 368.429 3.847 0 40 FHAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 8273406 NDNJDROKQPMUKQ-UHFFFAOYSA-N 360.672 3.936 0 40 FHAB Cc1cccc(C)c1OCCNC(=O)N1CC=C(c2ccc(O)cc2)CC1 84225591 NSEJPVVUBWOIMQ-UHFFFAOYSA-N 366.461 3.887 0 40 FHAB CCc1c(C)sc(NC(=O)c2c(OC)cccc2OC)c1C(=O)OC 668841 HJVLMSMCXBQOKY-UHFFFAOYSA-N 363.435 3.675 0 40 FHAB CC(C)n1ncc2cc(C(=O)N3CCCc4c(F)cc(F)cc43)cnc21 41866449 XVLQIACKRWTQAX-UHFFFAOYSA-N 356.376 3.883 0 40 FHAB Cc1ccc(C(=O)OCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 8372245 POHCMYWOQIKQPO-UHFFFAOYSA-N 352.415 3.914 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 8516843 VGFWOIABAIJQGY-IBGZPJMESA-N 360.479 3.711 0 40 FHAB CN(C)c1ccc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)cc1 8564591 SDXVYSBGFNJFIP-UHFFFAOYSA-N 352.463 3.874 0 40 FHAB COc1ccc(OC)c(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 9063004 SZOSMXNOLPGPEF-UHFFFAOYSA-N 368.477 3.863 0 40 FHAB CC(=O)Nc1ccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 9063046 HEXJWVLPWFSTHX-UHFFFAOYSA-N 365.477 3.804 0 40 FHAB COc1ccc(-n2ccnc2SCC(=O)c2ccc3c(c2)OCO3)cc1 23138829 VKFHSTCAQBVLJK-UHFFFAOYSA-N 368.414 3.585 0 40 FHAB COc1ccccc1/C=C/C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 941481 IJSGCOIKSGVQBK-OANVXVOSSA-N 370.474 3.632 0 40 FHAB COC(=O)c1ccccc1NC(=O)COc1cccc(C(F)(F)F)c1 984237 BQANWGWTYVTQTC-UHFFFAOYSA-N 353.296 3.510 0 40 FHAB Cc1nc(O)c2c(n1)C[C@@H]1CC[C@@H](C2)N1Cc1ccc(C(F)(F)F)cc1 100214607 SHKSJFUSVLTJGE-GJZGRUSLSA-N 363.383 3.641 0 40 FHAB Cc1ccc(CNc2nnc(SCc3ccc(F)cc3)n(C)c2=O)cc1 28526863 HNFLVLHYWLTDAA-UHFFFAOYSA-N 370.453 3.527 0 40 FHAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(Cl)c(Cl)[nH]1 23612950 SBJIRZXIKVMYAY-UHFFFAOYSA-N 352.265 3.716 0 40 FHAB CC[C@H](CNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 23748274 YVRAFHCPWJQYJH-MRXNPFEDSA-N 360.498 3.944 0 40 FHAB CCOC(=O)[C@@H]1CCCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C1 54675326 LGNBBTKNLRWGBR-LLVKDONJSA-N 366.870 3.812 0 40 FHAB CC[C@H](NC(=O)c1c(Br)cnn1CC)c1ccc(C)cc1 28237073 VHIKNAZOFOYIKF-AWEZNQCLSA-N 350.260 3.855 0 40 FHAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)N1CCc2sccc2C1 12540454 CTCLDDHLHBBGMJ-UHFFFAOYSA-N 363.895 3.955 0 40 FHAB COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(-c2nc(C)no2)cc1 25113145 YIXZCRQMCIIUJB-CYBMUJFWSA-N 351.406 3.887 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)NCc2ccccc2-n2ccnc2C)c1C 20456295 ZQNHVQLZHYDYDE-QGZVFWFLSA-N 363.461 3.881 0 40 FHAB Cc1ccc(-c2csc3nc(CN4C[C@H](C)O[C@@H](C)C4)[nH]c(=O)c23)cc1 25388582 IAYLMDNWTIIIAL-KBPBESRZSA-N 369.490 3.569 0 40 FHAB COc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1OC 12532623 ZYMRWONUZSEBRT-UHFFFAOYSA-N 368.263 3.873 0 40 FHAB COc1ccccc1[C@H](NC(=O)Cc1ccccc1Cl)c1nccn1C 12602028 NZZARKORMWIJJI-IBGZPJMESA-N 369.852 3.530 0 40 FHAB Cc1ccn2cc(C(=O)NCc3ccc(-c4csc(C)n4)o3)nc2c1 12619470 VZPICBFOEYWQSB-UHFFFAOYSA-N 352.419 3.598 0 40 FHAB CCOc1ccc(Br)cc1/C=C/C(=O)Nc1nccs1 1924690 YTRDLBIAXJWQAR-ZZXKWVIFSA-N 353.241 3.956 0 40 FHAB C[C@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccncc1 27408148 QAXGRDQMQMOBRH-LBPRGKRZSA-N 357.360 3.825 0 40 FHAB CCOC1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 58192595 NFOJLABRSICFKG-CVEARBPZSA-N 352.272 3.580 0 40 FHAB CC(C)COC(=O)Nc1cccc(NCc2cc(=O)n3ccsc3n2)c1 58264454 NDQKAEVYICAKJQ-UHFFFAOYSA-N 372.450 3.573 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc2c(c1)OCO2 3314987 LJPDOJYENMHPBU-CFRMROPGSA-N 366.417 3.596 0 40 FHAB CCc1ccc(C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 3317405 WYOIHKLVUUNBKY-UHFFFAOYSA-N 368.458 3.783 0 40 FHAB CC[C@H](Oc1ccccc1)C(=O)NCc1ccc(CN2CCCC2)cc1 24114409 QMVMGIKTHPGYLJ-NRFANRHFSA-N 352.478 3.756 0 40 FHAB Cc1ccc(-c2cc(C(=O)NO[C@@H]3CCCCO3)c3ccccc3n2)o1 58432392 QAIOGXDSEVYDQU-LJQANCHMSA-N 352.390 3.991 0 40 FHAB O=S(=O)(Oc1ccc(F)c(F)c1)c1ccccc1OC(F)(F)F 58556812 XCHWQUXHIVOLMJ-UHFFFAOYSA-N 354.252 3.631 0 40 FHAB CCOc1ccc(NC(=O)[C@@H]2CCCN2c2ncnc3ccccc23)cc1 11246784 WKHKQWCMWNJVOV-IBGZPJMESA-N 362.433 3.636 0 40 FHAB Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C(C)C)cc2)cc1 3498984 KIMMNBDKUJTTBR-UHFFFAOYSA-N 367.478 3.825 0 40 FHAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(CC)C2=O)cc1Br 409225820 LQCUHNXXKRPNLL-YWEFTTLKSA-N 367.243 3.539 0 40 FHAB COc1ccc(OC)c(-c2csc(NC(=O)c3c(C)noc3C)n2)c1 3533592 GRWVJTFRUSLJJS-UHFFFAOYSA-N 359.407 3.684 0 40 FHAB CC(C)[C@H]1Nc2ccccc2C(=O)N1CC(=O)Nc1ccc2[nH]ccc2c1 61717907 VEZLSLYJKXQTAS-FQEVSTJZSA-N 362.433 3.656 0 40 FHAB CCOC(=O)c1sc(NC(=O)Cc2coc3cc(C)ccc23)nc1C 13140973 CEQSHHOVZLWQAR-UHFFFAOYSA-N 358.419 3.864 0 40 FHAB CC(=O)CCCCCCC(=O)OC[C@H]1CC(=O)N(Cc2ccccc2)C1 96013436 BYLUSNZCVMYOJT-IBGZPJMESA-N 359.466 3.508 0 40 FHAB CC(C)(C)C[C@H]1CCCN1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 65497560 ZUXCQUVTICOGMY-AZUAARDMSA-N 357.542 3.530 0 40 FHAB Cc1ccc2c(CC(=O)NCC(=O)Nc3cccc(C)c3C)coc2c1 14070007 LFNLCCJXQMKAHT-UHFFFAOYSA-N 350.418 3.655 0 40 FHAB Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)N(C)c3ccc(Cl)cc32)cc1C 4556344 CBMLVYIKPWEXLQ-HXUWFJFHSA-N 357.837 3.702 0 40 FHAB C[C@H](NC(=O)CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1F 14200389 OPDNNGZSYGLGSI-ZDUSSCGKSA-N 368.383 3.725 0 40 FHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1OC(F)F 6560425 OIFWJRYVTXLQFM-UHFFFAOYSA-N 362.376 3.616 0 40 FHAB CC(C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 6623182 HDMWFWBROKPFOA-UHFFFAOYSA-N 359.856 3.768 0 40 FHAB COc1ccc(OCCCC(=O)Nc2ccccc2-c2cn[nH]c2)cc1 96012132 PWISJXCKLAOXGT-UHFFFAOYSA-N 351.406 3.883 0 40 FHAB C[C@@H](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccc(F)c(F)c1 14900075 OOLZNCXDIDPJPZ-IUODEOHRSA-N 358.388 3.733 0 40 FHAB Cc1nnc2sc(-c3ccccc3NC(=O)/C=C/c3ccccc3)nn12 21595453 MSZHSBDVJFLLOU-VAWYXSNFSA-N 361.430 3.813 0 40 FHAB Cc1cccc(OCCn2nnc3sc(-c4ccccc4)cc3c2=O)c1 7994946 RENGISKVNZCTQI-UHFFFAOYSA-N 363.442 3.907 0 40 FHAB C[C@@H]1C[C@H](Sc2nnc(-c3cccs3)n2-c2ccccc2)C(=O)O1 8192527 DRLUQTPLXBXKEB-RISCZKNCSA-N 357.460 3.792 0 40 FHAB C[C@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1cccc(Cl)c1 29764755 YUJSVRIAWQIOPB-AWEZNQCLSA-N 356.853 3.953 0 40 FHAB c1cc(CN2CC[C@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)cs1 306140056 UIJLVGXJRRJFTQ-SFHVURJKSA-N 357.504 3.848 0 40 FHAB C[C@@H]1CCCC[C@]12NC(=O)N(Cc1csc(-c3cccs3)n1)C2=O 9366072 XBTMPIDIWIDENC-DIFFPNOSSA-N 361.492 3.872 0 40 FHAB COc1cccc(-c2nnc(SCC(=O)c3ccc(C)cc3)n2C)c1 9582681 BJXOIVUHRPSVSY-UHFFFAOYSA-N 353.447 3.774 0 40 FHAB O=C(Nc1cc(F)cc(F)c1)[C@@H]1CCCCN1C(=O)/C=C/c1ccco1 71808693 GMSRWZJWZHRNGI-LXXRFIIISA-N 360.360 3.591 0 40 FHAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCC1([C@@H](O)C(C)C)CC1 95987354 JIOBAJYNRDWVLM-KRWDZBQOSA-N 361.486 3.508 0 40 FHAB O=C(CCSc1nnc2n1CCCCC2)N[C@@H]1CCCc2ccccc21 74391834 ANUMBSZPRGJNIO-QGZVFWFLSA-N 370.522 3.681 0 40 FHAB COc1ccc(CCC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1OC 20484432 NNBXXZBTVDWOHZ-CQSZACIVSA-N 373.449 3.531 0 40 FHAB Cc1ccc(OCCC(=O)NCc2cccc(NC(=O)C(C)C)c2)c(C)c1 29789575 CJPMEASBJLVYBT-UHFFFAOYSA-N 368.477 3.983 0 40 FHAB CC(C)(C)c1nnc2n1N=C(c1ccc(Br)cc1)CS2 4194884 KRCVUXZJOHGBRH-UHFFFAOYSA-N 351.273 3.696 0 40 FHAB Cn1ccc2ccc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc21 62001560 NZLIKGCZOIYKRO-VMPITWQZSA-N 359.473 3.650 0 40 FHAB biogenic C[C@@H]1CCCC[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 409002611 ORHXODMKXNCMGZ-UIFIKXQLSA-N 364.489 3.723 0 40 FHAB CCCSc1nnc(NC(=O)[C@H](CC)Oc2ccc(F)cc2)s1 39989169 CVAIHSXNMDUBIH-LBPRGKRZSA-N 355.460 3.975 0 40 FHAB CCC(=O)N1CCC[C@](Cc2cccc(-c3ccccc3)c2)(C(=O)NC)C1 72391254 WESYEKBYHOCTHC-HSZRJFAPSA-N 364.489 3.661 0 40 FHAB C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCCSCc2ccccc2)c1 32914232 FFFALALSOWYCEZ-BEFAXECRSA-N 368.502 3.944 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=O)CCc2ccc(OC)c(OC)c2)c1 38772382 HKXXTUAWTALLDM-UHFFFAOYSA-N 371.433 3.760 0 40 FHAB O=C(NCc1cccc2ccccc12)NC[C@@](O)(c1ccccc1)C1CC1 70969601 CIHVVCWQXHJNDT-HSZRJFAPSA-N 360.457 3.937 0 40 FHAB COCCN1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 72358509 BXYLYBPDOPCOEB-HNNXBMFYSA-N 365.399 3.988 0 40 FHAB Cc1ccccc1-c1cncc(C2CCN(C(=O)c3cccnc3)CC2)n1 72359490 BQAJECFKFKLRPJ-UHFFFAOYSA-N 358.445 3.867 0 40 FHAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc(OC)cc1 224441749 RYZWITYEOAGISN-KRWDZBQOSA-N 363.841 3.701 0 40 FHAB C[C@@H](NC(=O)COc1cccc2c1CCCC2)c1ccc2c(c1)OCCO2 222736725 LYDATPXWPODYRY-OAHLLOKOSA-N 367.445 3.593 0 40 FHAB S=C(NCC1(c2ccccc2)CCOCC1)Nc1ccc(Cl)cn1 224010143 SXECEJPPRKMLBJ-UHFFFAOYSA-N 361.898 3.770 0 40 FHAB COc1ccc(CCC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 225319076 GQYBRISSXCBSMU-UHFFFAOYSA-N 365.433 3.645 0 40 FHAB COC(=O)c1c(O)cc(OC)c(Cl)c1Oc1c(C)cc(O)cc1OC 225461354 FAWUCQOMRPWLBP-UHFFFAOYSA-N 368.769 3.656 0 40 FHAB biogenic,in-vitro C[C@@H](C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)Cc1ccccc1Cl 40106062 XJRUNZCQIVQFRE-NSHDSACASA-N 372.273 3.935 0 40 FHAB CSc1ccc(S(=O)(=O)NC2CCCCC2)cc1NC(=O)C(C)C 224085162 OMIYZLGAKNVABU-UHFFFAOYSA-N 370.540 3.614 0 40 FHAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 222860408 QFVZPBHHUNTEQS-RTBURBONSA-N 363.490 3.650 0 40 FHAB Cc1ccc(C)c(NC(=O)c2ccc(Cl)c(N(C)S(C)(=O)=O)c2)c1 225973061 WEXGPWVYKCPPSA-UHFFFAOYSA-N 366.870 3.605 0 40 FHAB CC[C@@H](C)Oc1cc(C(=O)N2CCC[C@]3(C2)OCc2ccccc23)ccn1 330090091 PEWRHRJGRZRUMZ-OPAMFIHVSA-N 366.461 3.921 0 40 FHAB CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1 244513425 ZOEFOHYSMJMPKJ-UHFFFAOYSA-N 370.880 3.851 0 40 FHAB CCN(C(=O)CN1CCCc2occc2C1)c1nc2ccccc2s1 585083958 YVTGUMGYZFASGC-UHFFFAOYSA-N 355.463 3.691 0 40 FHAB COc1cccc2sc(OC3CN(C(=O)Nc4ccccc4F)C3)nc12 90594316 RQMKCBUTFHSABT-UHFFFAOYSA-N 373.409 3.739 0 40 FHAB CC(C)c1noc([C@@H](C)N2CCN(c3ccc4ccccc4n3)CC2)n1 603393260 ARLHNTMZTAWOHB-OAHLLOKOSA-N 351.454 3.624 0 40 FHAB O=C(c1nc2ccccc2s1)N1CC[C@@H](Oc2ccncc2Cl)C1 575413859 GSGJLUBIJMUUBQ-LLVKDONJSA-N 359.838 3.638 0 40 FHAB Cc1ccc(NC(=S)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1 575420145 GHOAEVKGFOYLPL-QGZVFWFLSA-N 358.488 3.509 0 40 FHAB CCCC(CCC)N1CC[C@H](O)[C@@](O)(COc2cc(C)ccc2Cl)C1 585282623 LUDNEAABHDCNBA-PMACEKPBSA-N 369.933 3.794 0 40 FHAB CCCCn1c(SCc2nccn2C)nnc1-c1ccc(OC)cc1 59337734 JRAFIYSZDBQEAU-UHFFFAOYSA-N 357.483 3.780 0 40 FHAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)NCCc1cccs1 5165357 ZJBWRFJFNGJZRR-UHFFFAOYSA-N 351.884 3.729 0 40 FHAB O=C(c1ccc2ccccc2c1)c1nn2c(nc(=O)c3ccccc32)s1 5605126 FTBHORBUHJIEGH-UHFFFAOYSA-N 357.394 3.688 0 40 FHAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)CCn2nc(C)cc2C)n1 12227281 KYWNQBKFMSRPNB-MRXNPFEDSA-N 374.535 3.817 0 40 FHAB Cc1cccc(C2(O)CCN(C[C@@H](O)c3ccc4c(c3)CCC4)CC2)c1 12292588 CIUFZPWETZAFBZ-JOCHJYFZSA-N 351.490 3.501 0 40 FHAB Cc1cccc(NC(=O)[C@H](C)Sc2nc3c4ccccc4ncn3n2)c1 12863312 HHYJVQNQAGHOKO-ZDUSSCGKSA-N 363.446 3.705 0 40 FHAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)c3cccs3)C2)on1 13226057 OWMOEJNRYOZCKW-NSHDSACASA-N 360.464 3.583 0 40 FHAB CCn1c(=S)[nH]c2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 14162724 KPRVESUVWICZKF-UHFFFAOYSA-N 357.504 3.699 0 40 FHAB O=C(COC(=O)c1ccoc1)N[C@@H](c1ccc(F)cc1)c1cccs1 16158832 IGXCHONPYQFURO-KRWDZBQOSA-N 359.378 3.543 0 40 FHAB C[C@H](Oc1cccc(F)c1)C(=O)N[C@@H](c1ccncc1)c1cccs1 19079762 HFCCQQAEYLARSR-UGSOOPFHSA-N 356.422 3.955 0 40 FHAB O=C(c1n[nH]c2c1CCCCCC2)N1CCC(Oc2ccccc2F)CC1 19350138 MMJNRVJPXPLSKQ-UHFFFAOYSA-N 371.456 3.891 0 40 FHAB CC(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)CC2CCCC2)c2ccccn2)CC1 257250020 JKRSQYBMVYCTDB-IPJJNNNSSA-N 371.525 3.762 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1cc2c(s1)CCC2 4581563 NYAVIMRXUVPLBD-AWEZNQCLSA-N 357.475 3.531 0 40 FHAB Cc1cccc(NC[C@@H]2CCCN2C(=O)COC/C=C/c2ccccc2)n1 1253049751 UMKYEDDZWACZFA-OEMHODTASA-N 365.477 3.523 0 40 FHAB Cc1cc(OC[C@]2(O)CCCN(C(=O)CC3CC3)CC2)cc(C)c1Cl 2037912662 UBFIWBMFNJJEMV-FQEVSTJZSA-N 365.901 3.879 0 40 FHAB CC(=O)N[C@@H]1C(=O)N(Cc2ccc(OC(C)C)cc2)c2ccc(Cl)cc21 4993341 LLVXFVPXWZZBFZ-IBGZPJMESA-N 372.852 3.851 0 40 FHAB O=C(Cc1ccccc1)Nc1nnc(-c2ccc(Br)cc2)o1 5169740 FAVLZVCSLRRHBH-UHFFFAOYSA-N 358.195 3.680 0 40 FHAB C[C@@H]1CCc2c(sc(NC(=O)c3ccc4ncsc4c3)c2C(N)=O)C1 4088491 QUHNVTCXUJBRQJ-SECBINFHSA-N 371.487 3.834 0 40 FHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCCc2ccc(F)cc21 40117272 SVABNZGNBGCGEP-UHFFFAOYSA-N 369.371 3.927 0 40 FHAB CC(C)c1ccc(OCC(=O)Nc2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)cc1 41014700 HMSXMYLAPTZAGI-CQSZACIVSA-N 368.433 3.571 0 40 FHAB C[C@H](Sc1nnc(-c2ccco2)n1[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)C(N)=O 102252259 KQAJDSDKFWVXNH-QMVSFRDZSA-N 360.483 3.501 0 40 FHAB Cc1cc(N(C)C)ccc1NC(=O)CCc1nnc(-c2ccccc2)o1 46675379 MGPSPGIRSXDILO-UHFFFAOYSA-N 350.422 3.682 0 40 FHAB COC(=O)c1c(NC(=O)COc2ccc(C)cc2)sc2c1CCCC2 1904247 PCYXUDNSPHQCMS-UHFFFAOYSA-N 359.447 3.739 0 40 FHAB Cc1ccccc1NC(=O)CCC(=O)OCC(=O)c1ccc(Cl)cc1 4157237 NLPQWCVPPFQVRZ-UHFFFAOYSA-N 359.809 3.793 0 40 FHAB O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cncc(Br)c1 32987950 BQJQGIGKWSWBCF-KRWDZBQOSA-N 368.234 3.759 0 40 FHAB CCOc1cc(C(=O)OCC(=O)Nc2ccc(C)c(C)c2)ccc1OC 6164230 RJXJFSSXDKLWCZ-UHFFFAOYSA-N 357.406 3.506 0 40 FHAB O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccccc1F 6615582 MPOLZLYEXGAIGK-UHFFFAOYSA-N 357.454 3.943 0 40 FHAB Cc1ccc2nc(CSCC(=O)Nc3ccc(Cl)cc3)cc(=O)n2c1 7145215 DCYGTXRHLJZVDP-UHFFFAOYSA-N 373.865 3.528 0 40 FHAB Cc1nnc(S/C(=C\c2ccc(-c3ccccc3C#N)o2)C(=O)O)o1 7603748 JGXWCWBAKMXAAY-NVNXTCNLSA-N 353.359 3.728 0 40 FHAB CC[C@@H](Oc1ccccc1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 7759843 XGXWSOZTSOGEKJ-GOSISDBHSA-N 365.433 3.861 0 40 FHAB CCOc1ccc(N[C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2=O)cc1 101275602 HACCUUWAZHNVRO-SFHVURJKSA-N 352.434 3.755 0 40 FHAB CCCCc1ccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 10314368 YIXKNDJMYMONBA-UHFFFAOYSA-N 360.479 3.961 0 40 FHAB CN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3ccc(Cl)cc3)ccc21 10971819 VBVTVDXZDXMMFS-UHFFFAOYSA-N 372.852 3.903 0 40 FHAB CCc1nnc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)s1 22190069 ARENUQYENKOYAU-UHFFFAOYSA-N 365.418 3.799 0 40 FHAB Cc1cccc(C)c1NC(=O)CN1CCN(c2ccccc2Cl)CC1 54530522 MDZJBMOTJGHKRQ-UHFFFAOYSA-N 357.885 3.718 0 40 FHAB COc1cc(OC)c(C(=O)Nc2ccc(Br)cc2)cc1OC 683135 HNPMIWMVTWXIRO-UHFFFAOYSA-N 366.211 3.727 0 40 FHAB COc1ccc(CN2CC[C@]3(C[C@@H](Nc4ccc(OC)cc4)CO3)C2)cc1 107728510 FTYOTOMNKQDXBK-KNQAVFIVSA-N 368.477 3.549 0 40 FHAB CCCOc1ccc(/C=C/C(=O)NCCc2ccc(OC)cc2)cc1OC 23038927 ACOIBJQXGUDMAL-XYOKQWHBSA-N 369.461 3.865 0 40 FHAB CSc1ccc(C(=O)COC(=O)c2cccc(F)c2)cc1NC(C)=O 9641954 IPCPUZYTCYQZTK-UHFFFAOYSA-N 361.394 3.546 0 40 FHAB O=S(=O)(Cc1ccc(Cl)cc1)NCCSCc1ccccc1 9694915 JGQPLRQEBQCVAZ-UHFFFAOYSA-N 355.912 3.693 0 40 FHAB Cc1ccccc1[C@H](C)NC(=O)CSc1nc(N)c2ccsc2n1 9835868 NFEFNGLCVTYSTJ-NSHDSACASA-N 358.492 3.551 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1ccc(F)c(Cl)c1 51354048 WFFILLOHPFYZSG-ZDUSSCGKSA-N 363.816 3.773 0 40 FHAB CCOc1ccc2c(c1)O[C@@](c1ccc(C)cc1)(C(F)(F)F)NC2=O 3180042 DNNOJTRLPRSEFP-KRWDZBQOSA-N 351.324 3.931 0 40 FHAB Cc1c(C(=O)N2CCC(C(=O)Nc3ccncc3)CC2)oc2ccccc12 24700627 VYNLBYLMYVCSFE-UHFFFAOYSA-N 363.417 3.627 0 40 FHAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Oc1cccnc1)c1nc3ccccc3nc12 101418113 NHXRTIJGJKWKTR-FGZHOGPDSA-N 359.429 3.960 0 40 FHAB O=C(COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccccc1)c1ccccc1 101034448 VOFKTGMQQAVWGP-JYAXBFRTSA-N 362.425 3.958 0 40 FHAB O=C(Nc1ccccc1)c1nn(-c2ccccc2)c(=O)cc1C(F)(F)F 1404977 YYTVOLJZTNAIAF-UHFFFAOYSA-N 359.307 3.504 0 40 FHAB aggregator CC[C@H](C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cn1 1400373 NDHLDQUFTDGMEO-NSHDSACASA-N 352.843 3.560 0 40 FHAB C[C@H](C(=O)Nc1ccc(NC(=O)CCC2CCCCC2)cc1)n1cncn1 25299888 MSMJLWSBSCHKET-OAHLLOKOSA-N 369.469 3.777 0 40 FHAB CCN1CCN(c2ccccc2NC(=O)NC[C@H](C)c2ccccc2)CC1 43574937 DRTPSGZFSQGBBO-SFHVURJKSA-N 366.509 3.754 0 40 FHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)CSc1nnc(-c3cccnc3)o1)C2 103432665 RODFAPBESPEXQA-NJSLBKSFSA-N 372.494 3.555 0 40 FHAB C[C@H](NC(=O)c1ccc(CSc2nccn2C)o1)[C@H]1C[C@H]2CC[C@H]1C2 107331368 OXGCRCCHPNTPME-RZLSGREXSA-N 359.495 3.860 0 40 FHAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 20490693 DIRWBAPKNIRFPZ-UHFFFAOYSA-N 374.245 3.722 0 40 FHAB FC(F)Oc1ccc(NC(=S)Nc2ccc3c(c2)OCCO3)cc1 3261025 SMXYMHNBTGTBDR-UHFFFAOYSA-N 352.362 3.868 0 40 FHAB C[C@@H]1CCCCN1CCCCNC(=O)Nc1ccccc1-n1cccn1 48148721 VAVBOVYGYDPPMC-QGZVFWFLSA-N 355.486 3.648 0 40 FHAB CCc1nc(C)c2c(C)c(C(=O)Nc3ccc(N(C)C)nc3)sc2n1 48231288 AVTPIYIXBRNIRD-UHFFFAOYSA-N 355.467 3.584 0 40 FHAB Cc1nc(NC(=O)[C@@H](C)Sc2nnc(OC(C)C)s2)sc1C 58193303 DLKRPTIOLLHMRX-SECBINFHSA-N 358.514 3.518 0 40 FHAB COCCOc1c(Cl)cccc1NC(=O)c1cc(=O)c2ccccc2o1 58192436 ZAKOVJNMQOPYQD-UHFFFAOYSA-N 373.792 3.724 0 40 FHAB Cc1cc(C(=O)NCCOc2ccc3ccccc3c2)c2c(C)nn(C)c2n1 48253755 FVDSWTHDDNNXTK-UHFFFAOYSA-N 374.444 3.547 0 40 FHAB COCCOc1c(Cl)cccc1NC(=O)c1ccc(Br)o1 58215460 GOMJVRZQBOTGCC-UHFFFAOYSA-N 374.618 3.973 0 40 FHAB O=C(Cc1cccs1)NCCCn1nc(C(F)(F)F)cc1C1CC1 27933269 AQIZSOIEZHXBEZ-UHFFFAOYSA-N 357.401 3.590 0 40 FHAB Cc1ccc(NC(=O)CSc2nccn2-c2cc(C)ccc2C)nc1 27993348 OOIQETAVABLQTK-UHFFFAOYSA-N 352.463 3.923 0 40 FHAB O=C(NCC1(c2ccccc2)CCC1)[C@H]1CC(c2cccc(F)c2)=NO1 58423290 QRVSNJLXBHPUSW-LJQANCHMSA-N 352.409 3.557 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cnccc1N(C)C 36390935 CVMIETMZFMEONE-JTQLQIEISA-N 354.237 3.860 0 40 FHAB COc1cc(SC)ccc1C(=O)NCc1cnn(-c2ccccc2)c1 10819336 MKVVFNLEQOKMQS-UHFFFAOYSA-N 353.447 3.533 0 40 FHAB O=C(CSc1ccccc1C(=O)N1CCc2ccccc21)N1CCCC1 3327461 PFAPAXSWNAHWDT-UHFFFAOYSA-N 366.486 3.604 0 40 FHAB CC[C@@H]1CCc2sc(C(=O)NCC(=O)OCc3ccccc3)cc2C1 3344771 PAKSVOZEQISKFE-CQSZACIVSA-N 357.475 3.736 0 40 FHAB CCCCSc1nc(NCCO)c2c3c(sc2n1)COC(C)(C)C3 2424384 XOHDLYSMVKCRTA-UHFFFAOYSA-N 367.540 3.839 0 40 FHAB CC(C)CSc1nnc2c3cnn(-c4ccc(Cl)cc4)c3ncn12 2405243 FKLFSWPPFOJCLT-UHFFFAOYSA-N 358.858 3.865 0 40 FHAB COc1cccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 12795635 GYGJHZDWCZJCOD-SFHVURJKSA-N 353.418 3.834 0 40 FHAB COc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc(OC)c1 11409390 GQGXFQTUVVEYFZ-UHFFFAOYSA-N 357.797 4.000 0 40 FHAB O=C(COc1ccccc1C(=O)Nc1ccccc1)NCCc1ccccc1 3416183 PAFICJIXKUKGPS-UHFFFAOYSA-N 374.440 3.677 0 40 FHAB CCn1c(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)nnc1-c1cccs1 3596433 BRWOVMCIYXZYBB-STQMWFEESA-N 364.540 3.623 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H]2Cc3ccccc3S2)c(C)c1 12994417 SLMUGCCNCDRMIW-RDTXWAMCSA-N 355.459 3.891 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3N3CCCC3=O)cc2)n1 12917978 OGPSYQXDWBUHPL-UHFFFAOYSA-N 374.444 3.868 0 40 FHAB Cc1cccc(-c2nnc(S)n2CC(=O)N[C@@H](C)c2ccccc2C)c1 12978954 INAYLKZACUTLPG-HNNXBMFYSA-N 366.490 3.728 0 40 FHAB Cc1ccc(N2C(=O)N(Cc3cn4cc(Cl)ccc4n3)C(=O)[C@H]2C)cc1 13059562 WFMKMQQEMLAZBL-CYBMUJFWSA-N 368.824 3.653 0 40 FHAB C[C@@H]1Oc2c(C(=O)NCc3ccc(N4CCCC4=O)cc3)cccc2[C@H]1C 8709583 LYMBDSBAUGGBQC-GJZGRUSLSA-N 364.445 3.628 0 40 FHAB COc1ccc(C2(CNc3cnn(C)c(=O)c3Cl)CCCCC2)cc1 63255733 LNZCFQBDPZBVSG-UHFFFAOYSA-N 361.873 3.756 0 40 FHAB Cc1ccc(C)c(-n2nc(C)c(CNCCCN3CCCC3=O)c2Cl)c1 17310058 ZLKCKROVLAAWAA-UHFFFAOYSA-N 374.916 3.553 0 40 FHAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCc1c(Cl)cccc1Cl 13598358 WGKXQPOQQCWYHH-UHFFFAOYSA-N 363.200 3.516 0 40 FHAB C[C@H](C(=O)Nc1cccc(F)c1)N(C)CCOc1ccc(Cl)cc1 8532517 KTFNJJSMHMXSJE-CYBMUJFWSA-N 350.821 3.817 0 40 FHAB CCN(C(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1C)C1CCCCC1 6139281 IFQMWUAHTPMPMJ-AWEZNQCLSA-N 373.526 3.539 0 40 FHAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)NCCC(c1ccccc1)c1ccccc1 6337999 QTHDVVJUSLBQDK-SFTDATJTSA-N 363.457 3.992 0 40 FHAB C[C@@H](Sc1nnc2c(Cl)cc(Cl)cn12)C(=O)N1CCCCCC1 8778277 KFJYAJFYIKTOBV-SNVBAGLBSA-N 373.309 3.919 0 40 FHAB CCOc1ccc(N2C[C@@H](C(=O)Nc3cccc(CC)c3)CC2=O)cc1 5465072 UVAARKSQLFHPQE-INIZCTEOSA-N 352.434 3.639 0 40 FHAB COc1ccc([C@H](C)NC(=O)c2cc(Cl)c3c(c2)OCO3)cc1F 7076477 XUDBLKYLGJWUHX-VIFPVBQESA-N 351.761 3.707 0 40 FHAB Cc1ccc(NC(=O)NC(=O)CN2CCCSc3ccccc32)c(C)c1 7274127 YHCGGDFUTDCNLF-UHFFFAOYSA-N 369.490 3.954 0 40 FHAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ccc(Cl)cc1 7577601 WFCNEIGTOBTJSN-MRVPVSSYSA-N 354.888 3.885 0 40 FHAB CCc1sc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C 16109173 XDKSUAXTICRJMK-LBPRGKRZSA-N 351.493 3.513 0 40 FHAB O=C1CN(C(=O)/C=C/c2ccc(OC(F)(F)F)cc2)c2ccccc2N1 8040133 IONPSQQPENIFKD-JXMROGBWSA-N 362.307 3.584 0 40 FHAB Cc1nc(N(C)[C@@H](C)C[S@](C)=O)c2c(-c3ccccc3)csc2n1 96011439 GQLOOFBFBLBOJH-FNODVLLQSA-N 359.520 3.870 0 40 FHAB COc1ccc(C2(C(=O)Nc3nc4ccccc4s3)CCOCC2)cc1 16985451 JLKZPSNECWBDMF-UHFFFAOYSA-N 368.458 3.992 0 40 FHAB O=C(Nc1cccc(Br)c1)c1cc2ccccc2o/c1=N\O 9553725 NOKJUEDWHWDVNG-MNDPQUGUSA-N 359.179 3.738 0 40 FHAB CCc1ccc(CNC(=O)c2ccccc2I)cc1 72331459 INTJHNKRXJSIMD-UHFFFAOYSA-N 365.214 3.784 0 40 FHAB Cc1oc(-c2cccs2)nc1CN1CCN(c2ccc(O)cc2)CC1 97550204 XQIHJSCLAKAWQO-UHFFFAOYSA-N 355.463 3.739 0 40 FHAB O=C(NCc1ccccc1-n1ccnc1)[C@@H]1C[C@H]1c1cccc(Cl)c1 84504754 LFNMTNLGFXSFNG-ZWKOTPCHSA-N 351.837 3.946 0 40 FHAB CCOC(=O)CCCCN1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 95960786 MYQPCDPUMXNUFN-UHFFFAOYSA-N 356.466 3.999 0 40 FHAB COc1ccc(OC)c(NC(=O)Cc2c(F)c(F)c(F)c(F)c2F)c1 9950465 AUSCVKNXSVFSFS-UHFFFAOYSA-N 361.266 3.581 0 40 FHAB O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCC[C@@H]1c1ccccc1 9958793 DKXFHHMQUJXKCD-MRXNPFEDSA-N 365.401 3.660 0 40 FHAB COc1ccc(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 20481349 NOBDITFDXIJEST-UHFFFAOYSA-N 369.442 3.966 0 40 FHAB COc1cccc(N[C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c1 36635882 GHZOIUIUICEEPN-AWEZNQCLSA-N 365.216 3.746 0 40 FHAB CCN(CC)C(=O)CCCNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 32931066 JHQOZMOIVHSOIV-INIZCTEOSA-N 362.514 3.516 0 40 FHAB Cc1cccc(NC(=O)N2CCC(NC(=O)c3ccccc3F)CC2)c1 35288957 DKRASFFDVQWOEH-UHFFFAOYSA-N 355.413 3.560 0 40 FHAB CC(=O)O[C@@H]1N=C(c2ccccc2)c2cc(Br)ccc2N=C1O 1508682 FZOVXUXVQRFROW-KRWDZBQOSA-N 373.206 3.777 0 40 FHAB biogenic COc1cccc(C(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)C)c1 526052257 KQWPGXLHVIBTJG-QGZVFWFLSA-N 351.406 3.872 0 40 FHAB C[C@H](c1ccccc1)c1cc(C(=O)N2CC[C@@H](Nc3ccccc3)C2)n[nH]1 528401317 ATLDOTXEOIKVFP-VQIMIIECSA-N 360.461 3.888 0 40 FHAB CCc1cccc(NC(=O)COc2cc(C(=O)OC)nc3ccccc23)c1 65033036 KIPNQHSTBMTABA-UHFFFAOYSA-N 364.401 3.601 0 40 FHAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H](C)COc1ccccc1C 219564254 RVPXAGUBOLHVED-IAGOWNOFSA-N 357.450 3.745 0 40 FHAB Cc1ccc(S[C@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)cc1 216343974 URQDYQVTQCFGLC-MRXNPFEDSA-N 351.475 3.978 0 40 FHAB Cc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccccc3Cl)n2)c1 219061744 JSGXOOYKAHLMAI-CYBMUJFWSA-N 371.824 3.782 0 40 FHAB COc1ccc([C@H]2CCCN2Cc2nc3ccccc3n2C)cc1OC 36753017 ITUQECOUULIRNG-QGZVFWFLSA-N 351.450 3.928 0 40 FHAB Cc1nn(C)c(C)c1CNC(=O)CCc1cn(C(C)C)c2ccccc12 79489125 IDHKFOTZJRXCMK-UHFFFAOYSA-N 352.482 3.822 0 40 FHAB O=C(Nc1ccc(-c2cnco2)cc1)c1nc(N2CCCC2)ncc1Cl 133341065 WQZVACQUZMNNAG-UHFFFAOYSA-N 369.812 3.638 0 40 FHAB Cc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc3ccccc3c2)c(C)c1 225042855 SHGBYSCVAHNYAF-UHFFFAOYSA-N 369.442 3.737 0 40 FHAB COc1cccc(OCC(=O)NCCCc2ccc(OC(C)C)cc2)c1 222791917 RCFNXKITOZQYFF-UHFFFAOYSA-N 357.450 3.610 0 40 FHAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Cc1ccc(F)cc1 224516266 LCBWBZVKUVEZAP-UHFFFAOYSA-N 359.788 3.730 0 40 FHAB COC(=O)c1ccccc1NC(=O)c1ccc(OC)c(COCC(C)C)c1 224451499 WOSONGRCURDDPI-UHFFFAOYSA-N 371.433 3.907 0 40 FHAB CCC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC1CCCCC1 225149611 NPZKVQGAWRYYBT-CQSZACIVSA-N 350.890 3.916 0 40 FHAB COC(=O)c1cccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 148304900 QFFMOZQKHZEXSN-UHFFFAOYSA-N 363.417 3.587 0 40 FHAB Cc1cccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)c1 97994276 BVODPMMWHRWTFZ-XMHGGMMESA-N 371.400 3.878 0 40 FHAB Cc1ccc(Nc2nc([C@H]3CCCN(Cc4cncn4C)C3)cs2)nc1 257263417 LPVGYLFLICXWGU-HNNXBMFYSA-N 368.510 3.703 0 40 FHAB Cc1ncsc1CN1CCC[C@@H](c2cccc(-c3cncn3C)n2)C1 257206889 BFILSKSXRUAUTI-OAHLLOKOSA-N 353.495 3.627 0 40 FHAB C[C@H](c1ccncc1)N1CCC(NC(=O)Cc2cc3ccccc3o2)CC1 676675915 JVMAVQZAOIHJPK-MRXNPFEDSA-N 363.461 3.712 0 40 FHAB CCn1ccnc1[C@H](NC(=O)[C@@H]1C[C@@H]1c1sccc1C)C1CCOCC1 286910386 PNWAHIRUVWOHDR-GVDBMIGSSA-N 373.522 3.661 0 40 FHAB N=c1[nH]c2nc(C3CCN(Cc4c[nH]c5ccccc45)CC3)ccc2s1 585182418 PQLMUPHOCYTGES-UHFFFAOYSA-N 363.490 3.965 0 40 FHAB O=C(Nc1ccc(CCN2CCCC2)cc1)c1cccc(Cn2ccnc2)c1 56332738 STDNKSVEJBWWKY-UHFFFAOYSA-N 374.488 3.822 0 40 FHAB COc1cccc(C2=NO[C@@H](C(=O)Nc3ccccc3SC)C2)c1OC 5030106 OHNYQUROOJZWKY-MRXNPFEDSA-N 372.446 3.557 0 40 FHAB COC(=O)Cn1c(SCCOc2ccc(C)cc2)nc2ccccc21 11667458 LWBSAQRVDRPBPL-UHFFFAOYSA-N 356.447 3.689 0 40 FHAB Cc1ccc(-c2cc([C@H]3CCN(C(=O)CC(C)C)C3)nc(N(C)C)n2)cc1 12235857 NOSYVNRBHYSPKO-SFHVURJKSA-N 366.509 3.880 0 40 FHAB O=C(CSc1nnc(-c2ccco2)[nH]1)Nc1ccccc1C(F)(F)F 14152355 MNXTWNYNXMYSFD-UHFFFAOYSA-N 368.340 3.814 0 40 FHAB COc1ccc(CC(=O)NC[C@@H](c2ccc(C)o2)N2CCC(C)CC2)cc1 15860326 VQRBEZIIHZGSQS-FQEVSTJZSA-N 370.493 3.729 0 40 FHAB COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(Cc4ccccc4)[C@H]23)cc1 19019367 HRVOUZDSYOCKAO-DNVJHFABSA-N 364.489 3.674 0 40 FHAB COc1cccc(-c2cnc(NCc3ccccn3)nc2-c2nccn2C)c1 19291726 QHERXWIKOXOCIM-UHFFFAOYSA-N 372.432 3.560 0 40 FHAB CCC[C@@H](C(=O)N(C)C[C@@H]1OCCc2ccccc21)n1nc(C)cc1C 19501774 WAKBPULMDUSNHT-PMACEKPBSA-N 355.482 3.614 0 40 FHAB O=C(Nc1ccc([C@H]2CCc3nncn3C2)cc1)c1nccc2ccccc12 19699071 JNAGGAQEDNPEHG-KRWDZBQOSA-N 369.428 3.809 0 40 FHAB C=CCn1cc(/C=C(\Sc2nnc(CC)o2)C(=O)O)c2ccccc21 7364450 YPCAFNACJMOFHB-GDNBJRDFSA-N 355.419 3.991 0 40 FHAB Cc1noc(C)c1CN1CCN(c2cc(C(C)(C)C)nc(C3CC3)n2)CC1 1888850060 CGAUEYFZCDODHA-UHFFFAOYSA-N 369.513 3.579 0 40 FHAB COc1ccc(C(C)=O)cc1CC(=O)OCc1ncc(-c2ccccc2)o1 22317030 QNEWLYHWIATNCA-UHFFFAOYSA-N 365.385 3.839 0 40 FHAB Cc1ccc(C(=O)Oc2coc(CSc3nccn3C)cc2=O)cc1C 4251323 MWLJRFDHLHSORB-UHFFFAOYSA-N 370.430 3.502 0 40 FHAB Cc1cccc(NC(=O)CSc2ccc(-c3ccncc3)nn2)c1C 4358047 OKFKHZCJJKPSPZ-UHFFFAOYSA-N 350.447 3.886 0 40 FHAB CCOc1ccc([C@H](C)NC(=O)N2CCC(OCC)CC2)cc1OCC 50095213 HMTUQDAAECQTBA-HNNXBMFYSA-N 364.486 3.756 0 40 FHAB CCOC(=O)c1csc(NC(=O)c2nc(-c3ccccc3)oc2C)n1 40159770 MQPJCCUBIIZVJN-UHFFFAOYSA-N 357.391 3.536 0 40 FHAB COc1ccccc1CNC(=O)Cc1csc(Cc2ccccc2)n1 31486140 OBRQNRXQGSMGRU-UHFFFAOYSA-N 352.459 3.601 0 40 FHAB CC(C)c1ccc(NC(=O)C[C@@H]2NC(=O)c3ccccc3N=C2O)cc1 32124225 KQHIUSZHOQSVST-KRWDZBQOSA-N 351.406 3.539 0 40 FHAB biogenic Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)c2ccco2)o1 20822513 PRHDCODHVNXDPB-UHFFFAOYSA-N 351.318 3.650 0 40 FHAB CN1C(=O)[C@]2(Nc3ccccc3C(=O)N2c2ccccc2)c2ccccc21 101647876 LERVWEZAHXDZIH-QFIPXVFZSA-N 355.397 3.588 0 40 FHAB Cc1cccc(C(=O)N[C@@H](C(=O)N2CCC[C@@H](C(F)(F)F)C2)C(C)C)c1 32721293 ZJHHXACZILTJCW-HZPDHXFCSA-N 370.415 3.550 0 40 FHAB COc1cc(C(=O)OCc2cn3cc(C)ccc3n2)ccc1OC(C)C 32829663 CXKYQGSUFZKAFR-UHFFFAOYSA-N 354.406 3.796 0 40 FHAB COc1cccc(OCCNC(=O)c2csc(-c3ccc(F)cc3)n2)c1 32800850 CHMKFXUNBOEFPA-UHFFFAOYSA-N 372.421 3.767 0 40 FHAB O=C(Oc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1)c1ccccc1 960074 QRJYFYGIVNMPBN-UHFFFAOYSA-N 371.392 3.745 0 40 FHAB Cc1ccc(SCCSc2nc(C)c(CC(N)=O)s2)cc1C 32931640 LIHWWECEOUWUQN-UHFFFAOYSA-N 352.550 3.981 0 40 FHAB CC(C)c1ccc(C(=O)COC(=O)CN(C)c2ccc(Cl)cn2)cc1 32936254 JECCWAKTZXQMCX-UHFFFAOYSA-N 360.841 3.721 0 40 FHAB Cc1cc(C)cc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1 6386486 RDMVMRHVGFHRHZ-UHFFFAOYSA-N 354.425 3.933 0 40 FHAB CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccco3)ccc21 8959063 OGXBPWPGKUCJEJ-UHFFFAOYSA-N 356.422 3.940 0 40 FHAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCC2)CC1 100750082 FEVHNONTNYZWSG-JQVVWYNYSA-N 371.525 3.762 0 40 FHAB CCNC(=O)c1ccc(NC(=O)N(C)Cc2ccc(Cl)s2)cc1 47561786 NGEZOACZQVFHJX-UHFFFAOYSA-N 351.859 3.815 0 40 FHAB O=C(CCc1ccccc1)NCc1cccc(NC(=O)N2CCCC2)c1 54348858 JMJBHUDNWONEBN-UHFFFAOYSA-N 351.450 3.563 0 40 FHAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1C 12543121 LQYAXQTZTTUZHA-OXJNMPFZSA-N 352.434 3.749 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCCO3)c(Cl)c1 12536286 YCTGZMZCGJYFGT-UHFFFAOYSA-N 353.827 3.611 0 40 FHAB Cc1ccc(F)c(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1 42986625 PDIQZHBRANHUIA-INIZCTEOSA-N 359.426 3.536 0 40 FHAB NC(=O)c1ccc(Cn2c(COc3ccccc3)nc3ccccc32)cc1 25004385 ISCDYJVXZCASEU-UHFFFAOYSA-N 357.413 3.763 0 40 FHAB CC(C)(C)C(=O)NCCC(=O)Nc1ccccc1COc1ccccc1 56002493 APHPBZUUNKKWDF-UHFFFAOYSA-N 354.450 3.757 0 40 FHAB C[C@H](NC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 107333755 YXDBWHNYDKBNOK-OFVDUGFESA-N 370.493 3.821 0 40 FHAB O=C(c1cc(F)cc2[nH]cnc12)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 50661046 SBITXNKJUSLJEI-INIZCTEOSA-N 371.387 3.663 0 40 FHAB C[C@H]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 36006916 HBHJSSIOIPAXOO-PXNSSMCTSA-N 372.534 3.725 0 40 FHAB O=C(NCCCCCCCNC(=O)c1cccs1)c1cccs1 2166217 QQDSSNOHSDAASK-UHFFFAOYSA-N 350.509 3.920 0 40 FHAB CC(C)(C)C(=O)NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20151436 TZKCVCNNBWKRLR-UHFFFAOYSA-N 366.870 3.951 0 40 FHAB O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)nc1Cl 58411857 DFUBSMDNJXMVDT-UHFFFAOYSA-N 361.294 3.636 0 40 FHAB CCCC(=O)NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20151282 HPHSQWZTSDLVBC-UHFFFAOYSA-N 352.843 3.705 0 40 FHAB COc1ccc(CN2C[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)CC2=O)cc1 28404958 KENMAIQHMJIZNL-HNNXBMFYSA-N 372.852 3.644 0 40 FHAB O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)C1CCCC1 10970389 VESFCJLWKBYSQH-UHFFFAOYSA-N 357.479 3.775 0 40 FHAB C[C@@H](NC(=O)c1ccc(-n2cncn2)cc1)c1ccccc1Br 12773574 SVEBCUZXDXLDGU-GFCCVEGCSA-N 371.238 3.521 0 40 FHAB CC(C)(C)C1CCC(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)CC1 11376532 UOOOOMQOELZIPL-VMBOVVBDSA-N 363.523 3.874 0 40 FHAB O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1cccc(Br)c1 12800651 HNBNJDSYUUFMLW-UHFFFAOYSA-N 359.223 3.594 0 40 FHAB CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nnnn2C2CCCCC2)cc1 12895840 NWQJOKUXHZUWFB-GFCCVEGCSA-N 373.482 3.500 0 40 FHAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(C)Cc1c(F)cccc1Cl 3457326 HBFXHZJBWGYLTD-NSHDSACASA-N 364.804 3.667 0 40 FHAB CC[C@@H](Sc1nnc(NC(C)(C)C)s1)C(=O)Nc1cc(C)on1 13010926 AGPPOJWVHUENLT-SECBINFHSA-N 355.489 3.554 0 40 FHAB O=C(COc1ccccc1Cl)Oc1ccc2c3c(c(=O)oc2c1)CCC3 4037994 TZWQUJCHXHHSLP-UHFFFAOYSA-N 370.788 3.920 0 40 FHAB CC[C@H](C)NC(=O)CSCCCC(=O)Nc1c(C)cc(C)cc1C 6313867 YKFDSXMQIUBZBR-INIZCTEOSA-N 350.528 3.978 0 40 FHAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1 6314243 OSCUNSOGUYFYGR-SNVBAGLBSA-N 358.232 3.628 0 40 FHAB CN(Cc1ccc2c(c1)OCO2)[C@H](C(=O)N1CCCCC1)c1ccccc1 14085660 DVHWGXPINIFKPA-NRFANRHFSA-N 366.461 3.601 0 40 FHAB O=C(Nc1ccccc1Cl)N[C@H](Cc1ccccc1)[C@@H](O)C(F)F 65588779 VXAWKGXTMHXMHI-HUUCEWRRSA-N 354.784 3.699 0 40 FHAB O=C1c2cccn2[C@H]2CN(Cc3cccs3)C[C@@H]2N1Cc1cccs1 306129279 HZESFJZYERNBNZ-ROUUACIJSA-N 369.515 3.693 0 40 FHAB COc1ccc(-c2ccc(=O)n(Cc3cccc(Cl)c3)n2)cc1OC 5388773 NRTCQZVPSBPLFP-UHFFFAOYSA-N 356.809 3.629 0 40 FHAB O=C(/C=C/c1ccc(Cl)cc1)N1CCC[C@H]1c1nnc2ccccn12 14246637 FMWGOWYVWCPKEG-KXKDPZRNSA-N 352.825 3.760 0 40 FHAB Cc1ccccc1OCCN(C)C(=O)/C=C/c1ccc(Br)o1 14247981 HUAZHUAOVILHSQ-CSKARUKUSA-N 364.239 3.901 0 40 FHAB Cc1ccccc1[C@]1(CC(=O)NCc2cccnc2)CCOC(C)(C)C1 8992416 UZHCIDOWYHWWQJ-QFIPXVFZSA-N 352.478 3.923 0 40 FHAB CCOc1ccc(CC(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 9033387 FTWQMLAHGCWHMV-UHFFFAOYSA-N 361.825 3.772 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)c2cccc3cccc1c23 4938237 JMQNVGFPXYXNAZ-MRXNPFEDSA-N 358.441 3.938 0 40 FHAB Cc1cc(C)n([C@@H]2CCN(Cc3cnc4c(-c5ccccc5)cnn4c3)C2)n1 67674231 LMEJLIQOFPWINX-HXUWFJFHSA-N 372.476 3.657 0 40 FHAB COc1cc(C(=O)Nc2ccc(OC)c3ncccc23)cc(OC)c1OC 15840613 RMKAJMVPJXMBHI-UHFFFAOYSA-N 368.389 3.522 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc3n2CCCCC3)c1C 7642032 BDNQGUCRMVIRQR-CYBMUJFWSA-N 360.483 3.516 0 40 FHAB COc1ccc2c(CC(=O)N(C)CCOc3ccc(F)cc3)coc2c1 16173610 OTHSYCIRYAPMSJ-UHFFFAOYSA-N 357.381 3.660 0 40 FHAB C[C@@H](Sc1nnc(-c2ccncc2)n1C)c1nnc(-c2ccccc2)o1 7831242 QJXISVMNLDADSA-GFCCVEGCSA-N 364.434 3.780 0 40 FHAB Cc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 7958951 DGDKNCQRVRMTFK-GOSISDBHSA-N 351.450 3.555 0 40 FHAB O=C(c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1 68740914 SMZKDAFYAPAQCM-UHFFFAOYSA-N 373.380 3.997 0 40 FHAB O=C(NCCCn1ccc2ccccc21)c1ccccc1N1CCCC1=O 9379254 YNMPMEUJNYBOFE-UHFFFAOYSA-N 361.445 3.588 0 40 FHAB CCOc1cc2c(cc1CNC(=O)c1cc3c(s1)CCC3)O[C@@H](C)C2 8271075 SKMZUKCGFMCTJN-LBPRGKRZSA-N 357.475 3.889 0 40 FHAB Cc1ccc(NC(=O)CN(C)C(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1 8246191 MCYWAKMXANIKSW-CQSZACIVSA-N 356.491 3.892 0 40 FHAB O=C(CNc1ncnc2sc(-c3ccccc3)cc12)NCc1ccco1 8324435 ACWHFXOJDUWEPO-UHFFFAOYSA-N 364.430 3.680 0 40 FHAB COc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1Br 8388790 BSQNEERGDKLDMV-UHFFFAOYSA-N 373.250 3.912 0 40 FHAB Cc1cccc(Nc2ccccc2C(=O)NC[C@H](O)COCC2CC2)c1C 72311680 WFWOGVRRJMNYQC-SFHVURJKSA-N 368.477 3.564 0 40 FHAB Cc1nn(C)c2ncc(NC(=O)c3occc3COc3ccccc3)cc12 24033149 AJCOQAKDJRVBOB-UHFFFAOYSA-N 362.389 3.701 0 40 FHAB Cc1cc(OCC(=O)NCC2(N(C)C)CCCCC2)cc(C)c1Cl 8673939 QLUUDIVFPTWKPQ-UHFFFAOYSA-N 352.906 3.716 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)Sc2nc(NC3CC3)c3ccccc3n2)no1 9455340 NZOVHUMQFHWDPM-LLVKDONJSA-N 369.450 3.620 0 40 FHAB O=C(CCNC(=O)c1cc2c(s1)CCCCCC2)Nc1ccncc1 72280407 LHCKWCIMNAIWSZ-UHFFFAOYSA-N 357.479 3.561 0 40 FHAB O=C(N[C@@H]1CCSc2c(F)cccc21)C1=NO[C@@H](c2ccccc2)C1 84525313 YKHCVTFRCSDLPC-NVXWUHKLSA-N 356.422 3.996 0 40 FHAB O=C(NCc1cn2ccsc2n1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 84502065 ZAQRGZCSXPRORH-CHWSQXEVSA-N 365.380 3.835 0 40 FHAB CN1C[C@@H](NC(=O)c2csc(-c3cccs3)n2)[C@@H](c2ccccc2)C1 95448276 ZOOFMLGSIDJCFD-HUUCEWRRSA-N 369.515 3.699 0 40 FHAB CC[C@@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCN1C[C@@H](C)O 95404813 UCHGZMFBWCEKSC-DYESRHJHSA-N 367.493 3.663 0 40 FHAB CCc1ccc([C@H]2COCCN2C(=O)c2ccc3[nH]c(=S)oc3c2)o1 73827060 BXSYPVQNNKRFBD-CQSZACIVSA-N 358.419 3.859 0 40 FHAB CC(=O)c1cccc(COC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c1 95974520 PFUHZXOCPSAQTB-MSOLQXFVSA-N 352.386 3.507 0 40 FHAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1cc(F)ccc1C)cn2C 22237466 ALNJHYLRRMQGID-UHFFFAOYSA-N 354.381 3.637 0 40 FHAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)N4CCCCCC4)c3)C(=O)[C@H]2C1 408679906 HJKHFMQGCCXYMR-OALUTQOASA-N 366.461 3.549 0 40 FHAB Cc1ccc(C)c([C@H](C)NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c1 30763397 AKQUCYAJSJSFTF-JXFKEZNVSA-N 366.461 3.912 0 40 FHAB CCCCC(=O)Nc1ccccc1OCc1cc(=O)n2cccc(C)c2n1 33067832 YHEBOSHMIYFZMX-UHFFFAOYSA-N 365.433 3.711 0 40 FHAB O=C1Nc2ccccc2/C1=C1\SC(=O)N(c2ccc(Cl)cc2)C1=O 210201822 SIMISYJVKPKRKI-BUHFOSPRSA-N 356.790 3.903 0 40 FHAB CCc1ncc(CN2CCC[C@@H]2c2n[nH]cc2-c2ccc(F)cc2)cn1 72380393 LEXPLXDKSBUJKA-GOSISDBHSA-N 351.429 3.905 0 40 FHAB Cc1nccn1-c1cccc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 72378960 TYFWIKJJHWGIJD-FQEVSTJZSA-N 374.488 3.915 0 40 FHAB COCCCC(=O)Nc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1 32609587 QUSNEUOIAIOVGK-UHFFFAOYSA-N 355.369 3.908 0 40 FHAB Cc1c(F)cccc1NC(=O)Nc1cnc(N2CCCCC2)nc1N(C)C 224144685 YIQFKOBADMDCEJ-UHFFFAOYSA-N 372.448 3.624 0 40 FHAB CCC(=O)N1N=C(c2ccsc2)C[C@H]1c1ccc(OC)c(OC)c1OC 226818058 KCQAVPBMGPJQLZ-HNNXBMFYSA-N 374.462 3.862 0 40 FHAB COc1ccc(C[C@](C)(O)CNC(=O)c2cc3ccccc3s2)cc1 225618542 NMZWDRJIZXMGHJ-FQEVSTJZSA-N 355.459 3.633 0 40 FHAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2-c2ccccc2)c1 42065598 OLVPWWXCAJKAHS-UHFFFAOYSA-N 366.442 3.514 0 40 FHAB CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)C(C)C 223553235 CRLRXGMESJHXBU-FQEVSTJZSA-N 368.477 3.557 0 40 FHAB COc1ccc(C(=O)N2CCN(C)CC2)cc1CSc1ccc(C)cc1 224340621 PUELFNINRDCPIU-UHFFFAOYSA-N 370.518 3.684 0 40 FHAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)NCCC(C)C)c1 224120894 SNPSWYBAWIZSLY-UHFFFAOYSA-N 374.506 3.596 0 40 FHAB COc1ccc(NC(=O)Cn2ccc(=O)c3c(C)cc(C)cc32)cc1Cl 225756070 MSCLQPSODLNPGF-UHFFFAOYSA-N 370.836 3.919 0 40 FHAB Cc1ccc(C(C)C)c(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)c1 96675792 YBTRSMJIUXDRGL-HOCLYGCPSA-N 363.454 3.960 0 40 FHAB CCC(=O)N[C@H]1CC2(CCN(Cc3ccco3)CC2)Oc2ccccc21 96242826 ISPQBPAYZJICTJ-SFHVURJKSA-N 354.450 3.664 0 40 FHAB O=C(Nc1ccc(F)c(F)c1F)c1cc(-c2ccc3c(c2)CCO3)n[nH]1 96231587 HKUWGXLBHWQKQO-UHFFFAOYSA-N 359.307 3.681 0 40 FHAB O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccc(F)cc3)N2C(=O)C2CCCC2)N1 257312508 UOHSCDUYCDMHOD-QYZOEREBSA-N 358.457 3.717 0 40 FHAB C[C@H]1CCCc2ccccc2[C@H]1NC(=O)Nc1ccc2c(c1)C(=O)NCC2 680908956 VQDRZTPZXJHTRV-XOBRGWDASA-N 363.461 3.808 0 40 FHAB O=S(=O)(c1ccc(Br)cc1)N1CCC(=C2CCC2)CC1 1775967076 DQVLSEWWTMQSJJ-UHFFFAOYSA-N 356.285 3.714 0 40 FHAB C[C@@H]1CC[C@H](n2cc([C@@H](N[C@H]3C[C@@H](CO)C3)C(F)(F)F)cn2)C[C@H]1C 1775985454 HKIMFACWMYVDFY-SKAWIBFASA-N 359.436 3.844 0 40 FHAB O=C(NCc1nn(C2CCCC2)c(=O)c2ccccc12)c1ccsc1 90504318 BAXWRJPBTGLSNJ-UHFFFAOYSA-N 353.447 3.503 0 40 FHAB O=C(O)c1ccc(NC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)cc1 630101276 RNXFQZXFMFDDSP-QGZVFWFLSA-N 358.825 3.641 0 40 FHAB CO[C@@H]1CCN(C(=O)/C=C/c2csc(C)n2)C[C@H]1Cc1ccccc1 585288860 ACVKPMIEPZRBSG-GXLYXMFMSA-N 356.491 3.571 0 40 FHAB O=C(CN1C(=O)[C@@H]2CCCC2=Nc2ccccc21)N[C@@H]1CCc2ccccc21 108892433 LGNMTTKXCKEPOS-IEBWSBKVSA-N 373.456 3.710 0 40 FHAB COc1cccc(N2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)c1 5094496 YEKLELSLBJINSE-UHFFFAOYSA-N 356.491 3.598 0 40 FHAB COc1cccc(-c2nnc3n2N=C(c2ccccc2Cl)CS3)c1 5577211 ZNSDDMRNLBJREK-UHFFFAOYSA-N 356.838 3.965 0 40 FHAB CN(CC(=O)NCc1cc(-c2ccc(Cl)cc2)no1)Cc1ccccc1 5680570 QKPZJIIDDXPRRF-UHFFFAOYSA-N 369.852 3.743 0 40 FHAB O=C1c2cccc3cccc(c23)C(=O)N1NC(=O)C12CC3CC(CC(C3)C1)C2 5771111 WIDZBJXAQSIWBH-UHFFFAOYSA-N 374.440 3.683 0 40 FHAB Cn1ncc(Cl)c1[C@@H]1CCCCCN1S(=O)(=O)c1ccc(F)cc1 12159754 WZKFVJFFJZQYFZ-HNNXBMFYSA-N 371.865 3.519 0 40 FHAB O=C1c2ccccc2C(=O)N1C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 16524333 FUMNMHITSNBOBF-CCHVVGMOSA-N 360.251 3.769 0 40 FHAB Cc1cccc(CC(=O)N2CCC[C@H]2c2n[nH]cc2-c2onc(C)c2C)c1 19234692 KOHXDDMYFPQSLB-SFHVURJKSA-N 364.449 3.896 0 40 FHAB CCC(=O)N1CCC[C@@](Cc2cccc(-c3cccc(C)c3)c2)(C(N)=O)C1 19498627 RNAQPQOPPVJGOS-QHCPKHFHSA-N 364.489 3.709 0 40 FHAB Cc1cc(C)n([C@H](c2cc(O)n3nc(-c4ccccn4)cc3n2)C(C)C)n1 19573271 YQJBUSYBDDDCBY-FQEVSTJZSA-N 362.437 3.556 0 40 FHAB Cc1nn(C)c(C)c1CCn1cncc1-c1cnc(N2CCCCC2)s1 19719801 HUPPQKJTZSXUDC-UHFFFAOYSA-N 370.526 3.590 0 40 FHAB Cc1cnc(C(=O)N[C@@H](CC(C)C)c2nc3cccnc3n2C(C)C)cn1 12221602 MJQBSRFHXFWJJP-INIZCTEOSA-N 366.469 3.628 0 40 FHAB Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CNC[C@H](c1ccco1)N(C)C 23249336 FWANGFMIFGHTSR-RBUKOAKNSA-N 374.525 3.518 0 40 FHAB [O-][n+]1ccccc1SCc1nc(-c2ccc(C(F)(F)F)cc2)no1 28314303 WNWVXSOVHKHPPZ-UHFFFAOYSA-N 353.325 3.681 0 40 FHAB Cc1cc(OC[C@H]2CCCN(C(=O)C3(c4ccc(F)cc4)CC3)C2)ccn1 1776000748 IBPRRGGFCQAPMQ-KRWDZBQOSA-N 368.452 3.878 0 40 FHAB Cc1cccc(-n2nc3c(c2NC(=O)c2cccs2)C[S@@](=O)C3)c1C 2725085 CRKGHYXJEUXAMM-VWLOTQADSA-N 371.487 3.565 0 40 FHAB CC[C@@H](Sc1ncnc2c1cnn2-c1ccc(Cl)cc1)C(=O)OC 4341674 GZQLCSSMLRUMLC-CYBMUJFWSA-N 362.842 3.513 0 40 FHAB Cc1cc(C)cc(N(C(=O)c2ccccc2C)[C@H]2C=CS(=O)(=O)C2)c1 5082541 JKUJURFIBJFSQZ-KRWDZBQOSA-N 355.459 3.569 0 40 FHAB Cc1cccc(NC(=O)c2cccn(Cc3ccccc3F)c2=O)c1C 5270407 HHRBAILERINOLD-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB CCN1C(=O)c2cc(NS(=O)(=O)CC(C)C)ccc2Oc2ccccc21 8961138 VRKCVKRVZBCWAQ-UHFFFAOYSA-N 374.462 3.857 0 40 FHAB CCN(CC)C(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 9784912 ZEWZRVNBLMCTSD-UHFFFAOYSA-N 366.874 3.851 0 40 FHAB O=C(NCC1(c2cccs2)CCCC1)C(=O)Nc1cc(F)ccc1F 13804240 YZZIABXWZPKZGF-UHFFFAOYSA-N 364.417 3.593 0 40 FHAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2cccc(OC)c2)nn1C 1775969471 UCDJBGUKDUXDNV-CALCHBBNSA-N 351.450 3.809 0 40 FHAB CC(C)c1nnc(S[C@H](C(=O)NCc2cccnc2)C(C)C)n1C1CC1 50247739 UKPXHVWXNOTTGO-INIZCTEOSA-N 373.526 3.565 0 40 FHAB Cc1c(CC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(=O)oc2cc(O)ccc12 100786818 CPKJLZZWQIYGFO-PEBXRYMYSA-N 369.461 3.777 0 40 FHAB biogenic CN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2c2ccccc2)c2ccccc21 101647873 LERVWEZAHXDZIH-JOCHJYFZSA-N 355.397 3.588 0 40 FHAB CCOc1ccc(-c2nc(NC(=O)[C@H](C)Oc3ccc(F)cc3)no2)cc1 32623956 JAMPWHFLADGYQE-LBPRGKRZSA-N 371.368 3.680 0 40 FHAB Cc1cc(OCC(=O)Nc2noc(-c3ccc(F)cc3)n2)ccc1Cl 32622771 KFKMGZHDOISWEW-UHFFFAOYSA-N 361.760 3.855 0 40 FHAB O=S(=O)(Nc1cccc(OCc2ccccn2)c1)c1ccc(F)cc1 32833748 HCKGRCGMRIHTOX-UHFFFAOYSA-N 358.394 3.601 0 40 FHAB Cc1ccc(NC(=O)[C@@H](Sc2nnnn2C2CC2)c2ccccc2)cc1 8232184 BLZKIAGKVKEVHU-KRWDZBQOSA-N 365.462 3.789 0 40 FHAB COc1ccc(OC)c(C(=O)COC(=O)c2c(F)cccc2Cl)c1 2643166 ZEDGUGYTPANFSR-UHFFFAOYSA-N 352.745 3.536 0 40 FHAB CCc1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2CC)c1 1329396 CUKVIVTWFKWWKF-UHFFFAOYSA-N 367.478 3.653 0 40 FHAB CCC(=O)N(Cc1ccccc1OC)Cc1cc2cc(C)ccc2[nH]c1=O 1359243 OTGZDVLSYWGGKJ-UHFFFAOYSA-N 364.445 3.784 0 40 FHAB Nc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(Cc1ccccc1)C2=O 1725304 KIVBFRVFWOZRIJ-UHFFFAOYSA-N 350.809 3.535 0 40 FHAB Cc1ccccc1NC(=O)c1cc2ccccc2cc1OP(=O)(O)O 2584382 NQMNDWPDYBPJNO-UHFFFAOYSA-N 357.302 3.872 0 40 FHAB CCOC(=O)C1=Cc2cc(Br)cc(Br)c2OC1 2599379 ITVZZUIKVLWBMU-UHFFFAOYSA-N 362.017 3.551 0 40 FHAB N=C1NC(=O)/C(=C\c2ccc(OC(=O)c3ccccc3Cl)cc2)S1 3898550 WVURROZNUJNLGX-NTEUORMPSA-N 358.806 3.698 0 40 FHAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc(-c2ccccc2)on1 21805598 UNEXWFFJJLSXGR-SFHVURJKSA-N 365.433 3.892 0 40 FHAB Cc1c(Br)c(C(F)F)nn1[C@H](C)C(=O)Nc1nccs1 2781089 KEAKOSSCLCHOJQ-ZCFIWIBFSA-N 365.203 3.548 0 40 FHAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCC(c2nc3ccccc3o2)CC1 21915560 DVYSAPSQVLGPGH-UHFFFAOYSA-N 373.412 3.689 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)NCCc1ccc(C(F)(F)F)cc1 21972815 PKNWJFMEJMARME-UHFFFAOYSA-N 365.351 3.726 0 40 FHAB O=C(/C=C/c1ccc2c(c1)OCCO2)OCC(=O)c1ccc(Cl)s1 7779550 UDJLGZAJJPVNTP-QHHAFSJGSA-N 364.806 3.612 0 40 FHAB CCc1ccc(N2C[C@@H](C(=O)Oc3cccc4cccnc34)CC2=O)cc1 7929120 RKQBITHMQOMWCJ-KRWDZBQOSA-N 360.413 3.756 0 40 FHAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OC(C)C)cc3)C2=O)cc1 686797 WPQPUZVKAGLMDH-XDHOZWIPSA-N 350.418 3.875 0 40 FHAB O=C(CCCC(=O)OCC(=O)Nc1ccc(Cl)cc1)Nc1ccccc1 8412743 PUWNEYGFEPJVES-UHFFFAOYSA-N 374.824 3.631 0 40 FHAB C[C@@H](Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)NC(C)(C)C 8943212 CIQSRYZGYCIEMW-GFCCVEGCSA-N 371.506 3.522 0 40 FHAB Cc1ccccc1CS(=O)(=O)NCCCc1cccc(OC(C)C)c1 10543280 QIGRVELOIHVTDE-UHFFFAOYSA-N 361.507 3.834 0 40 FHAB NC(=O)c1cccc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)c1 23082997 RRDRIFFVEVOTMQ-UHFFFAOYSA-N 371.849 3.739 0 40 FHAB O=[S@](CCSc1nnc2ccc(C(F)(F)F)cn12)c1ccccc1 47222484 JCJURUWVQQAQSR-DEOSSOPVSA-N 371.409 3.648 0 40 FHAB COC(=O)c1ccccc1NC(=O)CSc1nccc2ccccc12 54360572 PIVJJIQDIVJRMB-UHFFFAOYSA-N 352.415 3.752 0 40 FHAB Cc1cccc(C(=O)Nc2sc(Nc3ccccc3)nc2C(N)=O)c1 12462743 HFFFUOXQDAQEOC-UHFFFAOYSA-N 352.419 3.546 0 40 FHAB COc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)c(O)c1 23533907 ANXQVCPUYRQQOI-UHFFFAOYSA-N 352.390 3.562 0 40 FHAB C[C@@H]1Oc2c(C(=O)NC[C@H](c3ccco3)N3CCCC3)cccc2[C@@H]1C 12594059 XKNWBHPDACSULG-RVKKMQEKSA-N 354.450 3.731 0 40 FHAB Cc1nn(C)c(=O)c(-c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1C 34865563 CXTPAOPPKXERQK-UHFFFAOYSA-N 355.507 3.988 0 40 FHAB NC(=O)CSc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1 12554364 VTBBSAGUHQQKFE-UHFFFAOYSA-N 369.490 3.507 0 40 FHAB C[C@H](c1ccccc1)N1CC[C@H](N[C@H](CO)c2cc(F)c(F)c(F)c2)C1 108160540 MYGPGIAZWSVKRK-ACWOFJMJSA-N 364.411 3.562 0 40 FHAB COc1ccccc1[C@@H](C)N(C)C(=O)c1cccc(N2CCCC2=O)c1 58691695 RBCQKOGTFQNMGN-OAHLLOKOSA-N 352.434 3.655 0 40 FHAB CCn1/c(=N/C(=O)c2cc(OC)cc(OC)c2)sc2cccc(F)c21 100909231 QVLXDSYPEVWKEI-ZZEZOPTASA-N 360.410 3.620 0 40 FHAB Cc1ccc(-n2c(SCc3nccn3C)nc3ccccc3c2=O)cc1 57995754 LBNKQDVQMKNTAO-UHFFFAOYSA-N 362.458 3.720 0 40 FHAB CN(Cc1ccc2c(c1)OCO2)C(=O)Nc1cccc(N2CCCC2)c1 58027878 RMOFPJNECFWCPM-UHFFFAOYSA-N 353.422 3.679 0 40 FHAB CNC(=O)c1cc(Cl)ccc1NC(=O)Cc1coc(-c2ccccc2)n1 58226515 YBEXQHRTAMDOHE-UHFFFAOYSA-N 369.808 3.536 0 40 FHAB C[C@H](NC(=O)CNC(=O)CC1CCCCC1)c1cccc(OC(F)F)c1 58218130 XUYFZZRGQWZOIJ-ZDUSSCGKSA-N 368.424 3.552 0 40 FHAB O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1cc(-c2cccnc2)on1 48279572 VMAYVVKYDTZFMO-UHFFFAOYSA-N 374.356 3.834 0 40 FHAB CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@@H](c1ccccc1)N(C)C 58439996 YXGBSFRMGVEICS-QGZVFWFLSA-N 366.383 3.847 0 40 FHAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(F)c2C(=O)O)cc1 58431681 QJQRSIWUXYHKTO-UHFFFAOYSA-N 351.399 3.622 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(Oc2ncccn2)cc1 48202092 ZNNRQVXVEHVMST-UHFFFAOYSA-N 363.373 3.569 0 40 FHAB CCOC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)c2ccc(C)cc2)cc1 10702952 FFIIVVODASUKQA-AWEZNQCLSA-N 355.390 3.992 0 40 FHAB CCOc1ccc(C(C)=O)cc1CSc1nc2nc(C)cc(C)n2n1 3366799 UGHMHBCSIVVBHG-UHFFFAOYSA-N 356.451 3.635 0 40 FHAB C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC1CCCC1 3302530 CNSDKXJVKPALHT-INIZCTEOSA-N 351.446 3.809 0 40 FHAB Cc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)c2cccs2)c1 2327946 NHSZZQVJHPNXCD-UHFFFAOYSA-N 361.426 3.817 0 40 FHAB O=C(COC(=O)c1ccc(F)cc1F)c1cccc(Br)c1 3302513 XCULSDHOLRCLKI-UHFFFAOYSA-N 355.134 3.767 0 40 FHAB CN(C)[C@@H](CNC(=O)c1cc(Br)ccc1F)c1cccs1 36685218 YNDFCTPGIAWUTP-ZDUSSCGKSA-N 371.275 3.682 0 40 FHAB Cc1ccsc1C(=O)OCC(=O)Nc1ccc(Br)cc1F 3349590 HWEJLAMLZXBRPS-UHFFFAOYSA-N 372.215 3.754 0 40 FHAB CC(=O)c1cc(C)ccc1OC(=O)[C@@]1(C)Cc2ccc(C)cc2C(=O)O1 11690116 ISWBAQDAUGRPAK-OAQYLSRUSA-N 352.386 3.583 0 40 FHAB CN(Cc1ccccc1OC(F)(F)F)Cn1nc2ccccn2c1=S 12733899 MRVYKYPTZOOOFH-UHFFFAOYSA-N 368.384 3.853 0 40 FHAB COc1cccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)c1OC 12746489 WMMAAFDDJQAEQS-UHFFFAOYSA-N 368.477 3.620 0 40 FHAB CCc1ccc(OCc2ccc(-c3nc4c5cn[nH]c5ncn4n3)cc2)cc1 8338314 VRLXHWWXFYFFNL-UHFFFAOYSA-N 370.416 3.809 0 40 FHAB Cc1sc(NC(=O)CN2CCSC2=O)nc1-c1ccc(Cl)cc1 12893777 DGLVQMDCQCJYNT-UHFFFAOYSA-N 367.883 3.879 0 40 FHAB CCCn1c(=O)n(CCC(=O)Nc2cccc3ncccc23)c2ccccc21 12816472 UEZDQYGBMUNYGO-UHFFFAOYSA-N 374.444 3.790 0 40 FHAB O=C(c1ccc2ncsc2c1)N1CCCN(Cc2ccccc2)CC1 12820401 CARSWQGENITYAF-UHFFFAOYSA-N 351.475 3.644 0 40 FHAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccc(F)cc1 12888918 BIWHVWLFKUYXKC-UHFFFAOYSA-N 358.394 3.971 0 40 FHAB O=C(NC(C1CC1)C1CC1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 48445349 UZEXGWSLHYBDEW-LJQANCHMSA-N 364.493 3.797 0 40 FHAB Cc1cccc(-c2nnc([C@@H](C)Sc3nnnn3C3CCCC3)o2)c1 8389142 RHAPCLVIIJLNCS-GFCCVEGCSA-N 356.455 4.000 0 40 FHAB COc1cc([C@H](C)NCc2cnc(N3CCCC3)nc2)ccc1OC(C)C 48710141 JUXPBHJTMLTEQC-INIZCTEOSA-N 370.497 3.723 0 40 FHAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(C)cc2O)cc1 13000858 XEZJBKKJPYLDMD-UHFFFAOYSA-N 354.435 3.569 0 40 FHAB Cc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)C[C@H]2C)cc1 13322151 UEJJKAIZUNTNJX-OAHLLOKOSA-N 364.898 3.548 0 40 FHAB O=C(C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1ccccc1 4144342 QSAOBVACSHPJMW-XMMPIXPASA-N 371.436 3.737 0 40 FHAB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)N[C@H]1CCCc2ccccc21 6097915 GTVYRZNWCQMVOF-PBHICJAKSA-N 370.522 3.679 0 40 FHAB Cn1c(CCN2CCCCC2)nc2cc(NC(=O)c3ccccc3)ccc21 13815170 KSRJKQNNRHEEFX-UHFFFAOYSA-N 362.477 3.854 0 40 FHAB C[S@@](=O)c1ccc(C(=O)Nc2ccccc2NCC(F)(F)F)cc1 65492478 WICPQDBLDDIENZ-DEOSSOPVSA-N 356.369 3.651 0 40 FHAB O=C(CSCc1ccc(F)cc1)Nc1ccccc1C(=O)N1CCCC1 20490137 ZUQWMOHJQKODTG-UHFFFAOYSA-N 372.465 3.934 0 40 FHAB CC(C)n1nnn(CN2CCC(c3nc4ccccc4s3)CC2)c1=S 14234477 YYDPZOXMGKUKBJ-UHFFFAOYSA-N 374.539 3.837 0 40 FHAB COc1ccc(CN(C)C(=O)c2ccc(Br)cc2)c(OC)c1 6560776 IRUYMTYKMXLVOL-UHFFFAOYSA-N 364.239 3.739 0 40 FHAB CC(=O)N1c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(C)C 5617759 OSJDVEXBWRYMAF-IBGZPJMESA-N 358.463 3.539 0 40 FHAB COc1ccc([C@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)C2CC2)cc1 4816484 INYMLPOUUCUINX-UXHICEINSA-N 374.444 3.764 0 40 FHAB Cc1cc(C)c(C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)c(C)c1 6902868 GTQOAMYFNVQVHY-IBGZPJMESA-N 351.446 3.962 0 40 FHAB Cc1cc(C)nc(NC2=N[C@@H]3CCCC[C@H]3N2C(=O)Nc2ccccc2)n1 6922192 CXVWRNKFISPFTL-IAGOWNOFSA-N 364.453 3.720 0 40 FHAB C[C@H]1CCc2c(sc3ncn4nc(-c5cc(C6CC6)n[nH]5)nc4c23)C1 24614204 VWVBDXOWMDDKDH-VIFPVBQESA-N 350.451 3.731 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H](NCc1ccccn1)c1ccccc1 7224773 YJICXQTYTDCJEZ-NRFANRHFSA-N 361.445 3.868 0 40 FHAB COc1ccc(-c2nnc(SCCC(N)=O)n2[C@H]2CCCC[C@H]2C)cc1 7205023 XPCALVFDWWKCGE-CJNGLKHVSA-N 374.510 3.672 0 40 FHAB CCCO[C@@H]1CCCN(C(=O)Nc2cccc(N3CCCC3=O)c2C)C1 67676541 XTCCABOVJILNMK-MRXNPFEDSA-N 359.470 3.545 0 40 FHAB COc1ccc([C@@H](NC(=O)CN2CCc3ccccc32)c2ccccc2)cc1 7359115 VGFYAGQREUKFRQ-DEOSSOPVSA-N 372.468 3.964 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCCOc1ccc(C)cc1 18746465 GPFOWSZAYBVHJY-NRFANRHFSA-N 365.429 3.881 0 40 FHAB COc1cccc([C@H]2C[C@@H](c3ccc(SC)cc3)n3nnnc3N2)c1 15866426 ZZYUCVTWPFTBBF-SJORKVTESA-N 353.451 3.550 0 40 FHAB COc1ccc(-c2nc(CC(=O)NCc3ccccc3F)cs2)cc1 8849005 SUYQYSSIYLFBDA-UHFFFAOYSA-N 356.422 3.817 0 40 FHAB COc1ccc(CCN2C(=O)c3ccccc3N[C@H]2c2ccncc2)cc1 7884472 VQIBBEPNSXHGOT-OAQYLSRUSA-N 359.429 3.899 0 40 FHAB Cc1ccc(CNC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 7958952 DGDKNCQRVRMTFK-SFHVURJKSA-N 351.450 3.555 0 40 FHAB Cc1ccc(C(=O)N[C@H](C(=O)Nc2nc(C(C)C)cs2)C(C)C)cc1 24344059 HMHZWKGFQLCPMD-INIZCTEOSA-N 359.495 3.968 0 40 FHAB C[C@@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)c1cccs1 9454184 WPGBAYQSARMWDZ-GFCCVEGCSA-N 369.442 3.599 0 40 FHAB Cc1[nH]c2ccc(C(=O)OCC(=O)N3CCc4ccccc4C3)cc2c1C 9552186 FJNPGQBBIAFHQH-UHFFFAOYSA-N 362.429 3.526 0 40 FHAB COc1ccc(-n2nc3cc(C)c(N)c(Br)c3n2)cc1Cl 20134601 JGCKAJQTOVPQOU-UHFFFAOYSA-N 367.634 3.736 0 40 FHAB C[C@H]1C[C@@H](Nc2ccccc2N2CCC(O)CC2)CN1Cc1ccccc1 95997206 GLCWBGLYXDCCKI-AZUAARDMSA-N 365.521 3.723 0 40 FHAB COc1cc(CCC(=O)NCC(C)(C)CC(C)C)cc(OC)c1OC 75107343 HJFXBUUTVVHPMM-UHFFFAOYSA-N 351.487 3.834 0 40 FHAB CC1(C)O[C@](C)(C(O)(c2ccccc2)c2ccccc2)CC[C@H]1C(=O)O 3845817 AVAHQCHXGWDAEX-RXVVDRJESA-N 354.446 3.971 0 40 FHAB biogenic C=CC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)[C@H](C)CC(=O)N3C)cc1 1530796200 UFDVLXHBXSCSQG-CYBMUJFWSA-N 363.417 3.533 0 40 FHAB COc1cccc(Cc2cccc([C@H]3CCCN3Cc3cnn(C)c3)n2)c1 72358128 XEYQAETWEXXLJU-JOCHJYFZSA-N 362.477 3.752 0 40 FHAB CCc1nccn1-c1cccc([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 72378952 YTVIYNZXSGRRCG-QGZVFWFLSA-N 352.482 3.726 0 40 FHAB Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@@H](CC(C)C)c1ccccc1 216281809 UMDIYLLRKVJDAZ-IBGZPJMESA-N 374.506 3.884 0 40 FHAB COC(=O)c1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2)cc2[nH]cc(C=O)c12 72221375 LEPFDIFSZLPNTL-HOTGVXAUSA-N 362.385 3.509 0 40 FHAB COc1ccc2[nH]c(C(=O)N(C)C[C@H]3CCCN4CCCC[C@H]34)c(C)c2c1 1565519210 VCKSGUBHYBXYPS-OXQOHEQNSA-N 369.509 3.821 0 40 FHAB biogenic C[C@@]1(C(=O)NCCCc2ccc(F)cc2)CC(c2cccc(F)c2)=NO1 223285263 BYNQOIULGOWPLW-FQEVSTJZSA-N 358.388 3.597 0 40 FHAB CCOc1ccc(C(=O)NCCCN2c3ccccc3C[C@@H]2C)cc1C 225702875 HVTGREFVBAJIBD-KRWDZBQOSA-N 352.478 3.965 0 40 FHAB C[C@H](NC(=O)[C@@H]1CCCN1C(=O)NC1CCCCC1)c1ccc(F)cc1 47245320 NZMDSYAXCZXNTC-KSSFIOAISA-N 361.461 3.510 0 40 FHAB COc1ccc(-c2nc(C)c(C(=O)NCCCCCC(=O)O)s2)cc1 49547769 WZWFLTSTKWXIJZ-UHFFFAOYSA-N 362.451 3.502 0 40 FHAB COc1ccccc1N1CCN(C(=O)c2cc3cccc(C)c3o2)CC1 41306835 AMLBAOVFKSZGPK-UHFFFAOYSA-N 350.418 3.712 0 40 FHAB COc1ccc2c(c1)[C@@H](NC(=O)COc1ccccc1F)CC(C)(C)O2 222777951 QLBRDSRKUINUAY-INIZCTEOSA-N 359.397 3.632 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccccc2F)cc1 48340891 FMWRXQTZBPELDH-OAHLLOKOSA-N 364.486 3.707 0 40 FHAB C[C@H]1Cc2ccccc2N1CCCNC(=O)Cc1ccc(Cl)cc1F 224682119 OEMKHUDLKBNVNF-AWEZNQCLSA-N 360.860 3.979 0 40 FHAB CO[C@@](C)(C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1)C1CC1 225644544 FJSULGHVPIXIBA-VGOFRKELSA-N 374.525 3.941 0 40 FHAB Cc1ccc(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)c(C)c1 139448561 LZXBDLPSMOXSHO-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB C[C@H]1Cc2cc(Br)ccc2N1S(=O)(=O)c1ccccc1 222983267 WJWDKYZNKJZMMW-NSHDSACASA-N 352.253 3.589 0 40 FHAB COc1ccc(NC(=O)c2cnc(-c3cccc(F)c3)nc2)c(OC)c1 222624090 HZXXDFZNMBAFIA-UHFFFAOYSA-N 353.353 3.552 0 40 FHAB Cn1c(=O)n(C)c2cc(NC(=O)Cc3ccc(-c4ccccc4)cc3)ccc21 148429395 ORDJKXSWIFNVMT-UHFFFAOYSA-N 371.440 3.725 0 40 FHAB NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CCC2 97656533 PHZCCBRMYGOIDD-SSZFMOIBSA-N 372.424 3.754 0 40 FHAB O=C(CCN1CCCC1)N1N=C(c2ccsc2)C[C@@H]1c1cccs1 95115988 JTKCYTYBEZGBSD-MRXNPFEDSA-N 359.520 3.973 0 40 FHAB CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C\C=C\c2ccco2)SC1=S 256055737 RFVRNYGFTJZRAU-ITXPMREYSA-N 351.449 3.536 0 40 FHAB CCO[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]3C[C@H]3OB(O)O[C@@H]32)C1 263606808 RHGZNNOBMYWNIZ-USSSXZFTSA-N 362.319 3.805 0 40 FHAB Cc1noc(CCC(=O)N2CCC[C@]2(C)c2ccc(C(F)(F)F)cc2)n1 636340750 JYLDLOZCLJIAIW-QGZVFWFLSA-N 367.371 3.867 0 40 FHAB C[C@H](C(=O)Nc1cc(C2CCCCC2)[nH]n1)n1ccc(C(F)(F)F)n1 1294387653 POOBCPULKYGHQP-SNVBAGLBSA-N 355.364 3.872 0 40 FHAB Cc1ccccc1N1CC[C@H](CNC(=O)c2ccc3nc(C)c(C)nc3c2)C1 95379597 FPPLUCBFLUJQES-GOSISDBHSA-N 374.488 3.811 0 40 FHAB COc1cc(C=O)ccc1O[C@H](C)Cc1cc(OC)c(OC)c(OC)c1 49181072 BOCUVDNZFZFUED-CYBMUJFWSA-N 360.406 3.544 0 40 FHAB biogenic,in-vitro Cc1nc(NC(=O)/C=C/c2ccccc2)sc1C(=O)N1CCCCC1 1379119 LLWDWAJULFQQHS-ZHACJKMWSA-N 355.463 3.730 0 40 FHAB Cc1ccc(C2(O)CCN(Cc3c[nH]nc3-c3cccs3)CC2)cc1 12143840 XHRIIRQFTGBZIX-UHFFFAOYSA-N 353.491 3.930 0 40 FHAB COc1cc([C@H]2Nc3cc(Cl)ccc3C3=NCCN32)cc(OC)c1OC 12188517 DAIKHWDOFCBERT-SFHVURJKSA-N 373.840 3.552 0 40 FHAB Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNCc3ccco3)cc12 13564689 FXOPXVXVTUSHBD-UHFFFAOYSA-N 368.824 3.558 0 40 FHAB Cc1ccsc1CN(CCNC(=O)c1cccs1)Cc1ccccn1 13991087 QQCCDNVFJLFLTH-UHFFFAOYSA-N 371.531 3.945 0 40 FHAB Cc1csc(C(=O)N2CCC[C@@H]2c2nnc(-c3scnc3C)o2)c1 19124547 YWELCZSXGBRGDL-LLVKDONJSA-N 360.464 3.849 0 40 FHAB Cc1nccn1C[C@@H](C)C(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C 19287754 CMZANBKOEOYXAK-FOIQADDNSA-N 371.481 3.502 0 40 FHAB Cn1cc([C@@H]2CCCCCN2C(=O)c2cc(-c3ccc(F)cc3)no2)cn1 19290600 KRKTXHCUOASDRQ-SFHVURJKSA-N 368.412 3.972 0 40 FHAB COc1ccc(Cc2nnc(C3CCN(C(=O)C(C)(C)C)CC3)s2)cc1 35597009 SRRDUFKESNGVAA-UHFFFAOYSA-N 373.522 3.890 0 40 FHAB C[C@]1(CNC(=O)c2cccc(NCc3cncs3)c2)CCO[C@H]1C1CC1 1123789622 MVYWMUVKXIWZKI-AZUAARDMSA-N 371.506 3.690 0 40 FHAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CCCCC2)[C@@H]1CNC(=O)c1cccc(F)c1 1775964404 PIPQDUKSSGBDSX-VVHHDAOASA-N 372.484 3.761 0 40 FHAB biogenic,in-vitro Cc1ccc(O[C@H]2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)nc1 238814723 BEEGKCLCHAKUHS-INIZCTEOSA-N 364.367 3.631 0 40 FHAB CC(C)(C)n1nc2c(c1NC(=O)/C=C\c1ccc3c(c1)OCO3)CSC2 4087649 VMYDPMXIXVLNQN-ALCCZGGFSA-N 371.462 3.766 0 40 FHAB COc1ccc(S(=O)(=O)NCC2(c3cccs3)CCCC2)cc1F 13804480 HHBRGQMQSWBLAS-UHFFFAOYSA-N 369.483 3.686 0 40 FHAB CCOC(=O)C1=C(N)S[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 21964685 DHQHVCBGSGCNIW-YJBOKZPZSA-N 353.443 3.502 0 40 FHAB Cn1cc([C@H]2CN(C(=O)Nc3c(F)cccc3F)Cc3ccccc32)cn1 575620212 RSLNQMJYBXFPHA-MRXNPFEDSA-N 368.387 3.878 0 40 FHAB CCOC(=O)c1c(NC(C)=O)sc(Cc2ccc3c(c2)OCO3)c1C 3214368 DGSHWENGVMKDPZ-UHFFFAOYSA-N 361.419 3.511 0 40 FHAB Cc1ccc(-c2cc(C[C@]3(C(=O)O)CCCN(C(=O)C(C)C)C3)on2)cc1 12366480 DOKHRKONIJQYBS-OAQYLSRUSA-N 370.449 3.542 0 40 FHAB CC[C@H](C)[C@H](N)C(=O)Oc1ccc2c(=O)c(Oc3ccccc3)coc2c1 20111190 OWHLPMCKCJULPG-DJJJIMSYSA-N 367.401 3.864 0 40 FHAB biogenic COc1ccc(C2=C[C@@H](c3ccc(OC(F)F)cc3)NC(=S)N2)cc1 51329821 FOYAKWXFGCMPPC-INIZCTEOSA-N 362.401 3.857 0 40 FHAB COc1ccc2nc(/C=C3\NC(=S)N(c4ccccc4)C3=O)ccc2c1 101351491 DJYDEGZRKZEJLN-PDGQHHTCSA-N 361.426 3.506 0 40 FHAB COc1ccc(NC(=O)c2cc3c(C)nn(C)c3s2)cc1OC(F)F 29606409 NERICYPAPRABLX-UHFFFAOYSA-N 367.377 3.806 0 40 FHAB CCOc1ccc2nc(-c3ccccc3)nc(SCC(=O)OC)c2c1 976349 XUJGTQSFFOCPOP-UHFFFAOYSA-N 354.431 3.961 0 40 FHAB Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)Nc2ncc(C)s2)n1 79475087 NURWZCCWBNLTMZ-INIZCTEOSA-N 367.478 3.520 0 40 FHAB C[C@H]1C[C@H](C)CN(C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2)C1 6455823 FOXKGUAZRBDKEL-BJLQDIEVSA-N 363.542 3.718 0 40 FHAB COc1cccc(OC)c1C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 7183447 LIDXMHORAPYTOL-UHFFFAOYSA-N 374.780 3.764 0 40 FHAB COc1ccc(NC(=S)NC(=O)c2ccc(OCC(C)C)cc2)cc1 7366108 STGGYKSPYXREKJ-UHFFFAOYSA-N 358.463 3.857 0 40 FHAB CC(C)Cc1ccc([C@@H](C)NC(=O)Cn2cnc3sccc3c2=O)cc1 7988824 BKDDAZDYKJEZHA-CQSZACIVSA-N 369.490 3.534 0 40 FHAB COc1ccc(-n2nnc(C(=O)Nc3cc(Cl)ccc3C)c2C)cc1 2715843 DPXHTZFRSZLCGG-UHFFFAOYSA-N 356.813 3.798 0 40 FHAB Cc1ccccc1OCC(=O)OCC(=O)N[C@@H](C)c1cc2ccccc2o1 8200870 LIHNHTLPCPBZON-HNNXBMFYSA-N 367.401 3.541 0 40 FHAB C[C@@H]1CCc2[nH]c3ccc(C(=O)NC[C@@H](c4ccco4)N(C)C)cc3c2C1 22130838 CDCDUBVJEDNQIG-VLIAUNLRSA-N 365.477 3.918 0 40 FHAB Cc1cc(-c2nnc3sc(COc4ccc(C(C)(C)C)cc4)nn23)[nH]n1 22501750 XJRHRVNFUNRZRQ-UHFFFAOYSA-N 368.466 3.761 0 40 FHAB COC(=O)c1cccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)c1 42215656 WHFYDCUDVDCBBA-UHFFFAOYSA-N 368.414 3.858 0 40 FHAB Cc1noc([C@@H]2CCCN(C(=O)Cc3coc4c(C)c(C)ccc34)C2)n1 54660533 PPCGKFRIQKODKK-OAHLLOKOSA-N 353.422 3.690 0 40 FHAB CCCc1ccccc1NC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 24503634 BOZYGRWCAJRXAE-UHFFFAOYSA-N 353.422 3.808 0 40 FHAB OCCNc1nc(Oc2ccc(Br)cc2)nc2ccccc12 24985366 GGKKRRCADFQQAL-UHFFFAOYSA-N 360.211 3.589 0 40 FHAB Cc1ccc(C)c(NC(=O)[C@@H](C)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1 56172210 KTBCDSDRBRUTJK-JKSUJKDBSA-N 365.477 3.866 0 40 FHAB CCC(C)(C)n1nnnc1[C@@H](CC(C)C)N1CCN(c2ccccc2)CC1 57669930 XCONHBBLZBHMLH-LJQANCHMSA-N 370.545 3.728 0 40 FHAB Cn1c(Cl)cnc1COC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 43764728 GNTVPUZBMIHOST-UHFFFAOYSA-N 365.817 3.778 0 40 FHAB Cc1nc(COc2ccc([C@H]3NC(=O)c4ccccc4N3C)cc2)cs1 12526677 XYHFZBBTWWTNGO-IBGZPJMESA-N 365.458 3.909 0 40 FHAB CCOc1ccc2nc(SCC(=O)N3CCc4ccccc4C3)[nH]c2c1 12594848 VIVBPIGVLUVUTP-UHFFFAOYSA-N 367.474 3.639 0 40 FHAB NC(=O)c1ccc(N[C@H](C(=O)N2CCCCC2)c2ccccc2)cc1Cl 27005628 PKTJEIRAPUUKLC-SFHVURJKSA-N 371.868 3.605 0 40 FHAB CC[C@](C)(NCC(=O)Nc1cccc(Br)c1)C(F)(F)F 72308741 AAAFDGCYMVLGNU-LBPRGKRZSA-N 353.182 3.708 0 40 FHAB COc1cc(OC)c2[nH]c(C(=O)Nc3ccc(-n4cccn4)cc3)cc2c1 48254100 AGHPEWKNPXSMHC-UHFFFAOYSA-N 362.389 3.623 0 40 FHAB CCc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)CC)cc1 20448996 KQUHZDWESAIFTN-AWEZNQCLSA-N 372.490 3.602 0 40 FHAB Cc1noc2ncc(S(=O)(=O)Oc3ccccc3-c3ccccc3)cc12 72067296 SEIFPDHDWRNJKM-UHFFFAOYSA-N 366.398 3.966 0 40 FHAB O=C(Cc1ccc2ccccc2c1)NC1CCN(Cc2ccccn2)CC1 48356175 MUOOOZPGZSKIIO-UHFFFAOYSA-N 359.473 3.558 0 40 FHAB O=C(N[C@@H]1CCOc2ccccc21)c1cccc(NC(=O)c2ccco2)c1 48300418 ZMXGYEJAZIXXQM-QGZVFWFLSA-N 362.385 3.786 0 40 FHAB CCNC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C(C)(C)C)C2 3580034 BVURQOLBEFTDTO-CQSZACIVSA-N 368.477 3.679 0 40 FHAB COc1cc2ccccc2cc1C(=O)N1CCN(c2ccccc2F)CC1 3549509 RDDLLWBKVSZBNG-UHFFFAOYSA-N 364.420 3.950 0 40 FHAB COc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1 3620167 PHCAWEKQJTUELP-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1cc(F)cc(F)c1 18254474 WDMMLTHBWQOTRF-JTQLQIEISA-N 368.380 3.803 0 40 FHAB Nc1nc(SCC(=O)N[C@@H]2CCCc3ccccc32)nc2sccc12 9743652 WRNAOZAULWGETP-CQSZACIVSA-N 370.503 3.559 0 40 FHAB COc1ccc(C(=O)Nn2c(CCC(=O)O)ccc2-c2cccs2)cc1 408952082 VHNRWVHFTDMXKS-UHFFFAOYSA-N 370.430 3.626 0 40 FHAB COc1ccc(OC)c([C@@H]2CC(c3cnn(C)c3)=NN2c2ccccc2)c1 13960611 SBSCPMQAUKGBRE-FQEVSTJZSA-N 362.433 3.793 0 40 FHAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2Cl)cc1 6316288 HSZKOHCCKVAENN-UHFFFAOYSA-N 353.827 3.626 0 40 FHAB CC(C)c1ccc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1 14139577 OPXFYMHATDDMDE-UHFFFAOYSA-N 350.418 3.711 0 40 FHAB O=C([C@@H](Sc1nnc(-c2ccco2)o1)c1ccccc1)N1CCCC1 5473759 XDFKAZAZRHERDG-HNNXBMFYSA-N 355.419 3.785 0 40 FHAB O=C(Nc1cccc(-n2cnnn2)c1)c1ccc(Oc2ccccc2)cc1 5483957 AUIMYVFVOHTNNW-UHFFFAOYSA-N 357.373 3.707 0 40 FHAB O=c1oc2ccccc2c(O)c1Cc1cc(Cl)c2cccnc2c1O 5448794 UQBQPUZGMONRLE-UHFFFAOYSA-N 353.761 3.997 0 40 FHAB O=c1c2cc(Cl)ccc2ncn1Cc1ccc(Br)cc1F 6588953 JBDWJTBHFUDNNG-UHFFFAOYSA-N 367.605 4.000 0 40 FHAB Cc1cc(C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n(C)n1 84101822 GOGGWEVZVHQSAV-OAQYLSRUSA-N 373.412 3.991 0 40 FHAB O=C(Nc1ccc(Cl)cc1)c1nnc(CN2CCCCCC2)s1 9114353 ZDFYOMINZNIOOC-UHFFFAOYSA-N 350.875 3.820 0 40 FHAB COc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(OC)c2)CC(=O)O3)cc1 4626293 YFGZHJYFNYIENY-MRXNPFEDSA-N 350.374 3.535 0 40 FHAB O=C(c1nccnc1-c1nc2ccccc2s1)N1CCc2ccccc2C1 6758530 QGOITNWERTTYEV-UHFFFAOYSA-N 372.453 3.952 0 40 FHAB Nc1nc2c(s1)[C@H](c1ccccc1OCc1cccc(F)c1)CC(=O)N2 15082033 PGGAHBGSCJCFFV-AWEZNQCLSA-N 369.421 3.918 0 40 FHAB Cc1ccc(C)c([C@H](C)NC(=O)Cc2ccc(N3CCCC3=O)cc2)c1 15025057 JCMWGBSQXRPNLX-KRWDZBQOSA-N 350.462 3.850 0 40 FHAB CC(=O)c1cccc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)c1 6905913 BFCVZCVHGOADKV-UHFFFAOYSA-N 358.825 3.691 0 40 FHAB CCn1nnc2cc(C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)ccc21 15473029 NJSHETSTOCCMHO-UHFFFAOYSA-N 362.355 3.742 0 40 FHAB N=c1n(Cc2ccc(Cl)cc2)c2ccccc2n1C[C@H](O)c1ccco1 19707039 SLBPOUTXKRGMHU-SFHVURJKSA-N 367.836 3.951 0 40 FHAB O=C(CN1CCC(Cc2ccccc2)CC1)N1CCC(c2ccccc2)=N1 7341706 IJHYPIKQBCQEQM-UHFFFAOYSA-N 361.489 3.578 0 40 FHAB O=C(CCSc1ccccc1)NCc1ccc(N2CCCC2=O)cc1 7490682 GIXTYKLYQQWLEO-UHFFFAOYSA-N 354.475 3.612 0 40 FHAB CCc1cccc(C)c1NC(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 7653029 MXVLXKJPDQFFQY-INIZCTEOSA-N 352.434 3.558 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2c[nH]c3ccccc23)c1C 7855233 GXFUAHGPRHCSMZ-ZDUSSCGKSA-N 352.390 3.744 0 40 FHAB C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 7990825 MICARWVFTOKBSQ-IUCAKERBSA-N 373.211 3.721 0 40 FHAB CN(CC(=O)NCCSc1ccccc1)[C@@H]1CCCc2ccccc21 16694376 MEWHCRUJVVKIFH-HXUWFJFHSA-N 354.519 3.904 0 40 FHAB O=C(CN1CCc2ccccc21)N1N=C(c2ccco2)C[C@H]1c1ccco1 8164880 MOTVAFPJBJXWGJ-SFHVURJKSA-N 361.401 3.613 0 40 FHAB C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccccc1 23042716 CXSUPHXYROTONU-XMSQKQJNSA-N 372.468 3.905 0 40 FHAB Cc1cc(CSc2ncccc2C(=O)NCc2ccc(F)cc2)no1 8330134 PEAMXZIOTAESMT-UHFFFAOYSA-N 357.410 3.739 0 40 FHAB CN(C)[C@@H](CNC(=O)Nc1cccc(CN2CCCC2)c1)C1CCCCC1 69585881 AMNRDGFSFAYJQH-NRFANRHFSA-N 372.557 3.914 0 40 FHAB C[C@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccco1 8520758 PWPRNJWLEORTNW-NSHDSACASA-N 368.418 3.780 0 40 FHAB CCOc1ccccc1Nc1ncnc2c1cnn2-c1ccc(OC)cc1 17951563 CNBCXRGWBHSDBY-UHFFFAOYSA-N 361.405 3.966 0 40 FHAB O=C(CCc1nnc(-c2ccsc2)o1)N1CC[C@@H](c2ccccc2)C1 84525501 SYUBVZRHNCNKKF-OAHLLOKOSA-N 353.447 3.747 0 40 FHAB CCN(C(=O)Cc1cc(C)[nH]n1)[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 95467831 RYFRFPVDHPHATD-OAHLLOKOSA-N 370.884 3.801 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1 219542800 FNTKSASUBJLUNR-SJORKVTESA-N 357.450 3.663 0 40 FHAB c1ccc(CN2CCC(NC[C@H](c3ccco3)N3CCCC3)CC2)cc1 22912367 UYBZORVQUQCHCU-OAQYLSRUSA-N 353.510 3.671 0 40 FHAB CN(C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ncccn1 519852296 YVHYHKAOLGRDSG-UHFFFAOYSA-N 374.322 3.959 0 40 FHAB C[C@@H](C(=O)NC1(Cc2ccccc2)CCC1)n1ccc(C(F)(F)F)n1 1543714025 XQDFGPPVSSDQAA-ZDUSSCGKSA-N 351.372 3.745 0 40 FHAB CCc1ccc([C@H]2[C@H](C(=O)O)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 218503620 YXAHSTPDEVDJBO-YESZJQIVSA-N 364.850 3.543 0 40 FHAB CC(C)c1ccc(OCC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cc1 32593805 UXIKRHJZQAMDPG-HXUWFJFHSA-N 358.457 3.747 0 40 FHAB CC(C)n1c(SCC(=O)Nc2nccs2)nnc1-c1ccccc1 72191639 NBRXCYACTIBBNA-UHFFFAOYSA-N 359.480 3.713 0 40 FHAB Cc1noc2nc([C@H]3CCCN(C(=O)[C@@H]4C[C@@H]4C)C3)cc(C(F)(F)F)c12 72341460 RPBFQADZXMQREJ-ZMLRMANQSA-N 367.371 3.912 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(-n3ccnc3C)cc2)c1C 216409684 WIBKBZABHXAPFB-KRWDZBQOSA-N 363.461 3.881 0 40 FHAB CCc1c(NCc2ncnn2-c2ccccc2)cnn1-c1ccccc1C 562229037 ADFBKLLXFBUXNH-UHFFFAOYSA-N 358.449 3.936 0 40 FHAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NC2CCCC2)c1 222915004 NMQFFAMBNQJFII-AQTBWJFISA-N 354.475 3.886 0 40 FHAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1CCCCC1 225219115 QZKSHWNUKLRDCX-OAQYLSRUSA-N 358.526 3.715 0 40 FHAB O=S(=O)(c1ccccc1NC[C@@H]1CCc2ccccc2N1)C(F)(F)F 84581825 FSAUVDFOOZBWNB-ZDUSSCGKSA-N 370.396 3.819 0 40 FHAB S=C(NCc1ccc2c(c1)OCCO2)Nc1ncc(Cl)cc1Cl 224047536 ZTYNUQNFWBCQCM-UHFFFAOYSA-N 370.261 3.646 0 40 FHAB O=C(CCC1CCCCC1)Nc1ccc(I)cn1 86997185 GQKJAXOVKYRQSI-UHFFFAOYSA-N 358.223 3.985 0 40 FHAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc3c(c2)OCCO3)cc1 225400604 LVVJXFCFENDEGX-GOSISDBHSA-N 355.434 3.984 0 40 FHAB CCCO[C@](C)(C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1)C1CC1 225857627 ZYGLUBLPZHRWIR-FQEVSTJZSA-N 363.454 3.794 0 40 FHAB COc1cccc(NC(=O)N(C)Cc2nc(-c3ccccc3C)no2)c1 225764827 CLJTZXDTSMQKIP-UHFFFAOYSA-N 352.394 3.718 0 40 FHAB CC[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc(OC)c(C)c1 225778053 FJXRBMWHQYOJEV-QGZVFWFLSA-N 355.434 3.932 0 40 FHAB COC(=O)c1ccc(Cl)c(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224717560 CZKJGWDANGVYTJ-UHFFFAOYSA-N 374.245 3.605 0 40 FHAB S=C(NCc1ccccc1Cl)Nc1ccc(Br)cn1 139021648 JIJHBWKWPSUQFC-UHFFFAOYSA-N 356.676 3.984 0 40 FHAB Cc1cccc(C(=O)Nc2nn3c(-c4cccc(F)c4)nnc3s2)c1 41076542 BYOAMGNADKCPMB-UHFFFAOYSA-N 353.382 3.553 0 40 FHAB CCO[C@](C)(C(=O)Nc1ccc(OCCCN(CC)CC)cc1)C1CC1 225723902 HFNUSWNSHUHARZ-NRFANRHFSA-N 362.514 3.941 0 40 FHAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1nc(-c2ccccc2)no1 223001958 GZAOMGXBBXRSKA-SFHVURJKSA-N 365.433 3.827 0 40 FHAB CC(=O)Nc1cccc(C2=NN(C(=O)c3ccco3)[C@@H](c3cccnc3)C2)c1 95946353 JXIYSLQFWZBKKU-LJQANCHMSA-N 374.400 3.625 0 40 FHAB CC(C)[C@H](NC(=O)c1c[nH]c(=O)c2ccccc12)c1nc2ccccc2[nH]1 96231586 XOSMGTAFUVQPPN-SFHVURJKSA-N 360.417 3.532 0 40 FHAB COc1ccc(C(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1 244291241 WVUBXRXOUARADF-UHFFFAOYSA-N 370.493 3.554 0 40 FHAB Cc1ncc(-c2ccc(C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)cn2)n1C 257338297 YWUAUTGIWIHEOC-KRWDZBQOSA-N 354.498 3.618 0 40 FHAB Cc1c[nH]c(-c2nccnc2[C@H]2CCCN(Cc3cc(F)cc(F)c3)C2)n1 257244376 ILAGVZWGDWOMEJ-HNNXBMFYSA-N 369.419 3.833 0 40 FHAB Cc1cc(-c2ccnn2C(C)C)nc(C2CCN(C(=O)C(C)(C)C)CC2)n1 257317693 VKUOLUZTGDXQSU-UHFFFAOYSA-N 369.513 3.982 0 40 FHAB O=C(c1ccnc(C2CC2)n1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 601720829 HTEPJMCCSZPOJJ-UHFFFAOYSA-N 364.424 3.994 0 40 FHAB C[C@H]1CCN(C(=O)CN2C(=O)CCc3ccccc32)[C@H](c2ccco2)C1 608486716 IZGNJYKXNQMZMQ-YJBOKZPZSA-N 352.434 3.559 0 40 FHAB Cc1noc(C)c1-c1cccc(C[C@H]2CCN(Cc3nccs3)C2)n1 257213037 CFXQDHRWVKYRLN-OAHLLOKOSA-N 354.479 3.875 0 40 FHAB Cc1cc(-c2ccnc(N3CCOCC3)n2)c2c(c1)[C@H](C)CC(C)(C)N2 584906307 VWZDEIFJZMBWHW-OAHLLOKOSA-N 352.482 3.986 0 40 FHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2nc3c(o2)CCN(CC2CCCCC2)C3)C1 585112727 UMNZHQDPLBNDIR-HZPDHXFCSA-N 359.514 3.731 0 40 FHAB Cc1cnc(Nc2cccc([C@H]3CCCN(Cc4cnn(C)c4)C3)n2)s1 585262559 FFSCTAMYSNGRSE-INIZCTEOSA-N 368.510 3.703 0 40 FHAB CC(=O)N(C)Cc1cccc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)c1 45032389 ZTAKRKKWZDBVRP-JKSUJKDBSA-N 356.388 3.972 0 40 FHAB COc1ccc(CCC(=O)N(C)[C@H]2CCc3ccccc32)c(OC)c1OC 55114811 HHQFKOOYYLAZJV-SFHVURJKSA-N 369.461 3.791 0 40 FHAB Cc1c(C(=O)N2CCC(N(C)c3ccccc3)CC2)[nH]c2c1C(=O)CCC2 57083914 FZWJEOQVTFMMQH-UHFFFAOYSA-N 365.477 3.583 0 40 FHAB Cc1cccc(Nc2cc(C)nc([C@H]3CCCN(C4CCOCC4)C3)n2)n1 72360056 GAROEAJJZHFEEA-KRWDZBQOSA-N 367.497 3.590 0 40 FHAB CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccccc2)NC(=S)N1 5482527 QGWUAKVKCIPVMV-MRXNPFEDSA-N 357.866 3.772 0 40 FHAB Cc1ccc2nc(C)c(C(=O)NCC(=O)Nc3c(C)cccc3C)cc2c1 12774726 UODSHADNJRLOTB-UHFFFAOYSA-N 361.445 3.837 0 40 FHAB O=C(/C=C/c1ccco1)Nc1ccc(I)cc1F 14258263 KVISAMKLRNSFAB-GQCTYLIASA-N 357.122 3.675 0 40 FHAB Cc1cc(NC(=O)CCc2cn(C)c3ccccc23)n(Cc2cccnc2)n1 19574550 PCTARCLIOUFYPD-UHFFFAOYSA-N 373.460 3.698 0 40 FHAB CN(C)c1ncccc1CN1CCc2onc(Nc3ccccc3F)c2C1 19584139 NUOVPBIHQMHDSL-UHFFFAOYSA-N 367.428 3.577 0 40 FHAB COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(Cl)cc1 85413203 QZPOPJBODCSBFP-WMLDXEAASA-N 356.761 3.512 0 40 FHAB CN(C)CCN(C(=O)Cc1ccccc1)c1nc2c(F)cccc2s1 4359292 YGKKXRLJGVLNLO-UHFFFAOYSA-N 357.454 3.573 0 40 FHAB CCN(CC)CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 12140164 GQWGTSDTNYYQQR-QGZVFWFLSA-N 359.857 3.953 0 40 FHAB Clc1ccc2ncnc(NC[C@@H](c3ccsc3)N3CCOCC3)c2c1 1775972127 BMYMZRPLUJOXBR-KRWDZBQOSA-N 374.897 3.830 0 40 FHAB Cc1cc(C)cc(N2N=N[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]32)c1 101260345 KGHKFAYCVGOENS-SJORKVTESA-N 368.824 3.763 0 40 FHAB COc1ccccc1NC(=O)NC[C@@H](c1cc2ccccc2o1)N(C)C 575619994 HILMNAVAZUFZFB-INIZCTEOSA-N 353.422 3.866 0 40 FHAB CSc1ccc(/C=C/C(=O)NC[C@](O)(c2cccs2)C2CC2)cc1 206700615 NYCIDIDUWQKGKR-SSGOSMAHSA-N 359.516 3.897 0 40 FHAB Cc1ccccc1OCC(=O)NCc1ccc([C@@H](O)c2ccsc2)s1 207965037 QWVVNVCNSMHFQK-IBGZPJMESA-N 373.499 3.895 0 40 FHAB O=C(CSc1nncc2ccccc12)Nc1ccnn1C1CCCC1 40057589 MIRFTCNVGXXDMK-UHFFFAOYSA-N 353.451 3.672 0 40 FHAB Cc1nc(C2(NC(=O)/C=C/c3cccc(C(F)(F)F)c3)CCCC2)no1 40050513 WFLXMYVQXDWMRF-BQYQJAHWSA-N 365.355 3.996 0 40 FHAB CCCCCOc1ccc(N2C(=O)C[C@@H](N(O)c3ccccc3)C2=O)cc1 101030183 GCIUIOZZUGWXQK-LJQANCHMSA-N 368.433 3.783 0 40 FHAB CC(C)C(=O)Nc1ccc(C(=O)COC(=O)c2ccc(Cl)c(N)c2)cc1 21172324 NWYGVAABICRWCD-UHFFFAOYSA-N 374.824 3.556 0 40 FHAB Cc1ccc(C)c(-n2ncc3c(NCc4ccc5c(c4)OCO5)ncnc32)c1 32620479 BOTCAAOHGGWVGF-UHFFFAOYSA-N 373.416 3.773 0 40 FHAB CCOc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2cccc(F)c2)cc1 21216935 FXWXLDWFQVCDIC-UHFFFAOYSA-N 372.425 3.784 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1C 32776763 PJRLVEXECYBWBK-SFHVURJKSA-N 361.463 3.662 0 40 FHAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1cnn(Cc2cccc3ccccc23)c1 18163222 FNXRBVMSIWJZAW-PMACEKPBSA-N 359.429 3.764 0 40 FHAB O=C(NCc1ccccc1Cl)C1CCN(C(=O)c2cccs2)CC1 783886 UUCRIABJMZFLFT-UHFFFAOYSA-N 362.882 3.570 0 40 FHAB CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2ccccc2c1=O 887451 YRJGVACWCKBULD-UHFFFAOYSA-N 367.474 3.764 0 40 FHAB Cc1ccn2c(NC(=O)c3cnc(C)cn3)c(-c3ccc(F)cc3)nc2c1 21826085 JWXALLWRBKZNKN-UHFFFAOYSA-N 361.380 3.800 0 40 FHAB CCOc1ccccc1-c1nnc(SCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)o1 4832791 YKMYAFJFYHFJAB-GZBFAFLISA-N 373.478 3.532 0 40 FHAB O=C(Cc1ccc(F)cc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 7573425 FLLASTKVYXIUHI-UHFFFAOYSA-N 351.381 3.936 0 40 FHAB Cc1ccccc1OCC(=O)Nc1ccc(Cc2c(C)nn(C)c2C)cc1 8571555 UNTDDORTAJJTIV-UHFFFAOYSA-N 363.461 3.954 0 40 FHAB NC(=O)c1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCC2 724773 GXOVGGOEPCNORS-UHFFFAOYSA-N 355.246 3.895 0 40 FHAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)Cc3ccccc3Cl)c2)n1 47317827 HCWNFQUWJLAQEE-UHFFFAOYSA-N 353.809 3.580 0 40 FHAB CCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1Cl)C2=O 797312 FICGJZMIVYGCPO-UHFFFAOYSA-N 364.184 3.971 0 40 FHAB COc1ccc2cc(-c3n[nH]cc3CN(C)C[C@@H]3CCCN3C)ccc2c1 22851523 NOGASNABZBYSPC-FQEVSTJZSA-N 364.493 3.765 0 40 FHAB Cc1ccsc1CNC(=O)COc1ccc(Br)cc1F 23137774 QKWRWJKGGRPRIU-UHFFFAOYSA-N 358.232 3.653 0 40 FHAB Cc1cccc(CN2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)c1 23237082 GHYYMXWDMUAJKW-UHFFFAOYSA-N 361.445 3.608 0 40 FHAB CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)CC(C)(C)C)cc1 987043 KMKLJSMZZQIHOG-UHFFFAOYSA-N 354.516 3.872 0 40 FHAB CC(C)(C)[C@H]1CCc2onc(C(=O)N3CCN(c4ccccc4)CC3)c2C1 9597929 ITWSMESYXYABDL-INIZCTEOSA-N 367.493 3.788 0 40 FHAB Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2cccc(C)n2)c1 12535906 HFADBQNWNISMRZ-UHFFFAOYSA-N 352.463 3.923 0 40 FHAB Cn1ccnc1[C@H](NC(=O)COc1cccc2ccccc12)c1ccccc1 12530319 KXETUONTIZQDQN-JOCHJYFZSA-N 371.440 3.858 0 40 FHAB O=C(COc1ccc(Cl)c2cccnc12)Nc1nc2c(s1)CCC2 43286248 QXWBRZUDKHXFFX-UHFFFAOYSA-N 359.838 3.851 0 40 FHAB c1ccc(-n2ncc3c(NCCSCc4ccco4)ncnc32)cc1 9450776 IOBVQKDBOSOMPR-UHFFFAOYSA-N 351.435 3.754 0 40 FHAB CCc1ccc(C(=O)COC(=O)Cc2ccc(Br)cc2)cc1 3278615 VGYRIVBECRQNFO-UHFFFAOYSA-N 361.235 3.980 0 40 FHAB Cc1ccccc1Nc1nc(N)nc(CN2CCC[C@@H]2c2cccs2)n1 57903153 RSWDBWVZMZILSH-OAHLLOKOSA-N 366.494 3.904 0 40 FHAB COC(=O)c1ccc(C)c(OCC(=O)N(C)Cc2ccc(Cl)s2)c1 58156342 WFZPFUAUILXHFC-UHFFFAOYSA-N 367.854 3.534 0 40 FHAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)Nc2ccc3nc[nH]c(=O)c3c2)C1 109176472 SCMLZPJJOCRJFZ-ORAYPTAESA-N 356.495 3.521 0 40 FHAB O=C(NCC[C@H]1CCCO1)c1[nH]c2ccc(Br)cc2c1Cl 58367432 SECUHOMITSGPRW-SNVBAGLBSA-N 371.662 3.883 0 40 FHAB CCC(=O)N[C@@H](CCSC)C(=O)N[C@H](C)CC(C)(C)c1ccccc1 58325421 INGRUUWBEDBJIN-WBVHZDCISA-N 364.555 3.507 0 40 FHAB Nc1cc(C(=O)OCCOc2ccc(Br)cc2)ccc1Cl 3337949 DWABANFSQWOZMR-UHFFFAOYSA-N 370.630 3.921 0 40 FHAB COc1ccc2[nH]c3c(NCc4ccc(OC)c(OC)c4)ncnc3c2c1 2278321 RYTWTMDKOIUYNG-UHFFFAOYSA-N 364.405 3.749 0 40 FHAB COc1ccc(NC(=O)c2cc(OC)c(OC)cc2-n2cccc2)cc1 36360887 CRVSUOGEXANONS-UHFFFAOYSA-N 352.390 3.755 0 40 FHAB CCCSc1nc2ccc(I)cc2c(=O)n1CC 2360486 NIPRSWBQUDGKFE-UHFFFAOYSA-N 374.247 3.523 0 40 FHAB COC(=O)c1ccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 11072999 ACSSXGPJIWFNTJ-UHFFFAOYSA-N 360.413 3.884 0 40 FHAB O=C(NCCc1ccccc1)c1ccc(OCc2cn3ccccc3n2)cc1 12736173 KDOUMPANSDTGDZ-UHFFFAOYSA-N 371.440 3.886 0 40 FHAB COc1ccc([C@@H](O)C2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1 12815463 GJGZWMUTNVSAKG-HXUWFJFHSA-N 354.450 3.981 0 40 FHAB COC(=O)CCn1c(S[C@@H](C)c2ccccc2)nc2ccccc2c1=O 12910105 GXGWLLNSDZKRNK-AWEZNQCLSA-N 368.458 3.813 0 40 FHAB C[C@H](C(=O)N1CCN([C@H](C)c2cccnc2)CC1)c1cc2ccccc2o1 176397426 MLHYGESMPBWNMS-DLBZAZTESA-N 363.461 3.837 0 40 FHAB Cc1nc(Nc2ccccc2)sc1C(=O)c1ccc(S(C)(=O)=O)cc1 8715580 OPOOPWCPALYTMU-UHFFFAOYSA-N 372.471 3.830 0 40 FHAB CCCCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC 4065392 MRNYEDYWJSHJJN-KRWDZBQOSA-N 362.495 3.612 0 40 FHAB CCCCOc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 6264467 VGSDSTJNJNLTFH-UHFFFAOYSA-N 358.463 3.767 0 40 FHAB COc1ccc([C@@H](CNCc2ccc(OC)cc2OC)N2CCCC2)cc1 22932974 LROZQAGIGPGDQB-OAQYLSRUSA-N 370.493 3.639 0 40 FHAB C[C@H]1C[C@H](C)CN(Cc2nc3ccccc3c(=O)n2Cc2ccco2)C1 14140013 ZYAQONAWOBYCQA-HOTGVXAUSA-N 351.450 3.516 0 40 FHAB CCc1ccc(C(=O)Cn2nc(N)n(Nc3cccc(C)c3)c2=S)cc1 28535311 PXOQDWFCRGJUIK-UHFFFAOYSA-N 367.478 3.625 0 40 FHAB Cc1cccc(NC(=O)CN2CCc3cc4c(cc3[C@@H]2C)OCCCO4)c1 5426026 TUVIKSUZLKLDRJ-INIZCTEOSA-N 366.461 3.714 0 40 FHAB Cc1ccc(C(=O)CCC(=O)OCc2nnc(-c3cccs3)o2)cc1 8929916 DJBBSMMFBABWRA-UHFFFAOYSA-N 356.403 3.813 0 40 FHAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2n[nH]c3ccccc23)cc1 4825108 HPMHDUFKMBWNJU-CYBMUJFWSA-N 351.406 3.872 0 40 FHAB CS(=O)(=O)Nc1ccc(-c2csc(NNc3ccccc3)n2)cc1 6975359 MSFKKHZELDMMLZ-UHFFFAOYSA-N 360.464 3.621 0 40 FHAB Cc1cc(/C=C/C(=O)N2CCN(c3ccccc3O)CC2)c(C)n1C1CC1 9156466 PIIGPKXNHOSCFN-JXMROGBWSA-N 365.477 3.507 0 40 FHAB CCOc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)CC)c2)c1 5945987 PGWUAFRTROQUQU-UHFFFAOYSA-N 371.462 3.561 0 40 FHAB COc1ccccc1Cc1nnc(NC(=O)[C@@H](C)Oc2ccccc2)s1 9196819 JPUDQJXEFNWEMS-CYBMUJFWSA-N 369.446 3.544 0 40 FHAB Cc1ccc(CN2C[C@H](C(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1 7406693 REYNCBYJMOQJQG-MRXNPFEDSA-N 356.853 3.944 0 40 FHAB CC[C@H](CNC(=O)CSc1nc(N)c2ccsc2n1)c1ccccc1 9221272 RBWODZVALSKPMB-GFCCVEGCSA-N 372.519 3.676 0 40 FHAB C[C@H](Sc1nnc(C(F)(F)F)n1C)c1nnc(-c2ccccc2)o1 7834695 VFJUWQVLBYPGPU-QMMMGPOBSA-N 355.345 3.737 0 40 FHAB C[C@@H]1Oc2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3)cc2NC1=O 8014339 ADKWMNKBNDDVAP-ZDUSSCGKSA-N 368.433 3.721 0 40 FHAB COc1ccc(CN(Cn2nc3n(c2=S)CCCCC3)C2CC2)cc1 8148325 RVCVZQJBZJAZDF-UHFFFAOYSA-N 358.511 3.771 0 40 FHAB COCCn1c(S[C@H](C)C(=O)Nc2ccccc2)nc2ccccc21 9642049 WKMLUDPXTSPHSH-CQSZACIVSA-N 355.463 3.802 0 40 FHAB CCC[C@H]1CCCN(C(=O)C(=O)Nc2ccc3nc(C)sc3c2)CC1 95392582 DCRNGMWMYHIYEZ-AWEZNQCLSA-N 359.495 3.972 0 40 FHAB Cn1cc([C@@H]2C[C@H]2C(=O)O[C@@H](c2ccccc2)c2ccc(F)cc2)cn1 95407063 JULCIJXCLNIQFY-ZCNNSNEGSA-N 350.393 3.996 0 40 FHAB CCN(CCCNC(=O)c1cnn(Cc2ccccc2)c1)c1ccccc1 9920227 GBZHLSRQOKTVOP-UHFFFAOYSA-N 362.477 3.578 0 40 FHAB CC(C)(C)OC(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)C1 118904058 GGUGGGBOLNFFLT-UHFFFAOYSA-N 360.454 3.656 0 40 FHAB Cc1c(NC(=O)c2ccc3c(c2)CCCC3)c(=O)n(-c2ccccc2)n1C 28646943 BAICKAHSLNMGES-UHFFFAOYSA-N 361.445 3.616 0 40 FHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N1CCN(c2ccccc2F)CC1 408682399 YCGRXBBABDXXAV-HXUWFJFHSA-N 356.441 3.640 0 40 FHAB CC(=O)N[C@]1(c2nc(C)cs2)CCN([C@H]2CCCc3ccccc32)C1 548666009 VKSKQGUWEIQAOQ-AZUAARDMSA-N 355.507 3.566 0 40 FHAB COc1ccc(CC[S@@](=O)Cc2nc(-c3ccc(C)cc3)no2)cc1 32765148 TWAOKLNIDAAGQU-VWLOTQADSA-N 356.447 3.545 0 40 FHAB CC(C)[C@@H](NCc1nnc(-c2ccccc2)o1)c1ccc2c(c1)OCCO2 32759527 APQHYYBPNPOUKE-HXUWFJFHSA-N 365.433 3.995 0 40 FHAB Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN(CCc3ccccc3)C2)n1 72353598 DWCMGPDPUKQWQJ-IBGZPJMESA-N 373.504 3.851 0 40 FHAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)N(C)C1CCCC1 38753968 MDPXUVNLXANFDI-UHFFFAOYSA-N 372.490 3.810 0 40 FHAB Cc1ccc(C2=NC3(CCN(Cc4cc(C)ccc4C)CC3)NC2=O)cc1 35430978 IOTWWVVAIPDGON-UHFFFAOYSA-N 361.489 3.523 0 40 FHAB biogenic O=C(CN1CCCCCC1)N1CCC[C@@H]1c1n[nH]cc1-c1ccccc1F 72380344 WRTGOEQGSKOFFC-LJQANCHMSA-N 370.472 3.755 0 40 FHAB COc1ccc(O[C@H](C)C(=O)NCCOc2ccccc2C(C)C)cc1 223777119 FJOXCVXDGAABHN-MRXNPFEDSA-N 357.450 3.781 0 40 FHAB Cc1c(Cl)cccc1NC(=O)C(=O)NCc1ccc(OC(C)C)cc1 42646143 FLCPYOZTTXYPRH-UHFFFAOYSA-N 360.841 3.691 0 40 FHAB CCc1ccc(N([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)cc1 220261577 STOKLQFARHRNRL-INIZCTEOSA-N 374.506 3.659 0 40 FHAB COc1cccc(NS(=O)(=O)c2cc(-c3onc(C)c3C)cs2)c1 44890475 JORSBSXBMFRIQW-UHFFFAOYSA-N 364.448 3.829 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 224703090 WKAMCBAJWLDZNL-QGZVFWFLSA-N 370.468 3.620 0 40 FHAB Cc1cccc2c1N(C(=O)c1cccc(NC(=O)[C@@H]3CCCO3)c1)CCC2 40051493 NRVQVYXEJGRKLT-IBGZPJMESA-N 364.445 3.706 0 40 FHAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1F 225102509 HFKSAMIMGLELNO-FQEVSTJZSA-N 370.468 3.702 0 40 FHAB CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1noc2c1CC(C)(C)CC2 1587328136 CHAKSZUUHLVURN-QGZVFWFLSA-N 356.466 3.694 0 40 FHAB C[C@@H](C(=O)Nc1ccccc1-n1ccnc1)[C@@H]1OCCc2sccc21 584876219 DGEYRVVQXCHREN-ACJLOTCBSA-N 353.447 3.822 0 40 FHAB Cc1ccc(N2C(=O)C[C@@H](Nc3ccccc3Br)C2=O)c(C)c1 95915144 MLLXCAQIKPYFPJ-OAHLLOKOSA-N 373.250 3.810 0 40 FHAB Cc1nc([C@@H]2CCCOC2)sc1C(=O)NC1(Cc2ccc(F)cc2)CC1 333972016 WSROKBRKAIIFNB-OAHLLOKOSA-N 374.481 3.990 0 40 FHAB COc1cccc(CN2CCC3(CC2)CCN(C(=O)c2cccs2)C3)c1 96046646 MVKXVCWRHIPVTR-UHFFFAOYSA-N 370.518 3.885 0 40 FHAB C[C@](Br)([C@H](O)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O 96521208 OHCJDNOIADKDHL-HZPDHXFCSA-N 369.280 3.543 0 40 FHAB CC(C)c1nccc(N2CCC[C@H]3[C@H]2C(C)(C)[C@@H]3NC(=O)C2CCCC2)n1 585137632 KMNBCGLSXFWEHV-QRQLOZEOSA-N 370.541 3.900 0 40 FHAB CC[C@@](C)(COc1ncccc1Cl)NC(=O)c1ccc2c(c1)CCOC2 585107090 RQAXIHXNESFGTD-FQEVSTJZSA-N 374.868 3.785 0 40 FHAB Cc1cc(C(=O)N2CCC[C@@H](c3cncc(Oc4ccccc4)n3)C2)no1 257324569 WPHKVFRTHBSRHV-OAHLLOKOSA-N 364.405 3.585 0 40 FHAB O=C(c1cncnc1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257200957 AFNGMTNLDZIHJP-GOSISDBHSA-N 366.396 3.562 0 40 FHAB CC(C)n1nccc1-c1cnc([C@@H]2CCCN(C(=O)C(C)(C)C)C2)cn1 257242117 IBEKCVLHFZBCFH-OAHLLOKOSA-N 355.486 3.673 0 40 FHAB Cc1cnc2n1C[C@H](c1ccccc1)N(C(=O)CCc1cccs1)C2 257246691 IVJMQNXAVMQAFQ-GOSISDBHSA-N 351.475 3.969 0 40 FHAB CCOC(=O)c1nc(N2CCC[C@H](c3ccncc3)C2)cc(C(C)(C)C)n1 596254037 LFLVNLYPJBGQOP-INIZCTEOSA-N 368.481 3.730 0 40 FHAB COc1ccc2c(N3CCC(NCc4ccccc4)CC3)ncnc2c1F 596252760 QHHNMPJBWCPIPQ-UHFFFAOYSA-N 366.440 3.536 0 40 FHAB COC(=O)[C@@H]1CN(C(=O)N[C@@H](c2ccccc2)C2CC2)Cc2ccccc21 598957566 YGWUTMVTNBESKP-UXHICEINSA-N 364.445 3.620 0 40 FHAB O=C(NCCn1ccc(-c2cccs2)n1)NCc1ccc(Cl)cc1 96103885 DYBYSLRHBVEYMD-UHFFFAOYSA-N 360.870 3.764 0 40 FHAB CCN1CCO[C@@H](CNC(=O)N[C@H](C)c2ccsc2)[C@@H]1c1ccccc1 661132246 HCCFETMCRJSVFY-MNEFBYGVSA-N 373.522 3.570 0 40 FHAB CCc1nc([C@@H]2CCCCN2C(=O)c2cccc3c2OCC3(C)C)no1 684051711 UQHQNOSBBFIAKS-HNNXBMFYSA-N 355.438 3.669 0 40 FHAB COc1ccnc(CNC(=O)NC[C@@H]2CCC[C@@H]2c2ccccc2)c1F 661256843 WKKIQHFZHNZBCI-JKSUJKDBSA-N 357.429 3.612 0 40 FHAB Cc1cnc(-c2cccc(NC(=O)N[C@@H]3CCO[C@H]3c3ccncc3)c2)o1 585123654 UYGLRARRADNZLJ-MSOLQXFVSA-N 364.405 3.697 0 40 FHAB C[C@H](NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 106071840 DKMWYGWJLCFGPZ-RIVXBTQJSA-N 355.482 3.869 0 40 FHAB CC1(C)C[C@]2(CCCN2C(=O)c2ccccn2)CN1c1cccc(F)c1 1615159518 VUAIJRHOOXVVKN-OAQYLSRUSA-N 353.441 3.884 0 40 FHAB OC1(c2ccc(F)cc2)CCN(Cc2c[nH]nc2-c2cccs2)CC1 12147690 YZMBZDMBAJXLKA-UHFFFAOYSA-N 357.454 3.761 0 40 FHAB COc1cc(C)c(CN2CCC(O)(c3ccc(C)cc3)CC2)cc1OC 12344452 QXYRSHIIVUBSLQ-UHFFFAOYSA-N 355.478 3.804 0 40 FHAB COc1cc(NCc2cc3cc(C)cc(C)c3[nH]c2=O)cc(OC)c1OC 13086674 APHGJTNJMMWQDR-UHFFFAOYSA-N 368.433 3.783 0 40 FHAB CCCCC(=O)C1CCC(CNC(=O)COc2ccccc2OC)CC1 14000474 LHSOLROLUMRKRH-UHFFFAOYSA-N 361.482 3.756 0 40 FHAB CCCC1=C(C(=O)OCC)[C@H](c2cccc(Cl)c2)n2nc(C)nc2N1 14163388 RYUSUZADBVLPCV-INIZCTEOSA-N 360.845 3.872 0 40 FHAB Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)/C=C/c1ccco1 14404766 RMCSJFVDHNVBIB-MDZDMXLPSA-N 350.378 3.524 0 40 FHAB O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1ccc(OC(F)F)cc1 14898965 SHAHJQWRORDQAR-ZDUSSCGKSA-N 360.360 3.818 0 40 FHAB CSc1ccccc1NS(=O)(=O)c1cccc(Br)c1 16130860 ZLQNRORBJPRKRC-UHFFFAOYSA-N 358.282 3.972 0 40 FHAB O=C(CSc1nnc(-n2cccc2)s1)Nc1ccc(Cl)cc1 16545906 ARDVUTCZQWURNZ-UHFFFAOYSA-N 350.856 3.713 0 40 FHAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCC(C)C)ccc2C)c1 17172607 ZPLNTOHQVQHLGL-UHFFFAOYSA-N 374.506 3.880 0 40 FHAB O=C(CSc1ccncc1)N1CCC(c2cc3ncccc3cn2)CC1 19347398 UZDNXZOBOBIHLX-UHFFFAOYSA-N 364.474 3.523 0 40 FHAB CCN1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccc(OC)c(OC)c1 19527215 IDLPUGQVDBTYMP-HXUWFJFHSA-N 369.509 3.585 0 40 FHAB CCOC1CCN(CC(=O)Nc2ccc(N3CCCCCC3)cc2)CC1 19715456 BZGVDKSIBWPRJQ-UHFFFAOYSA-N 359.514 3.506 0 40 FHAB CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@H]3CC[C@@H](OC(C)=O)[C@@]3(C)C[C@H]3O[C@]231 169796372 RTQHUAHEQACVGY-VXAPCQRLSA-N 370.445 3.520 0 40 FHAB O=c1c2ccccc2cnn1-c1nc2c(Br)cccc2s1 226335009 MUOLZLQSROFJPY-UHFFFAOYSA-N 358.220 3.758 0 40 FHAB COc1ccc(-c2cc(C(=O)N[C@@H]3CCOc4ccccc43)on2)cc1 19660522 ZTLJIXHNNHAHJS-MRXNPFEDSA-N 350.374 3.604 0 40 FHAB Cc1ccccc1[C@@H](C)NC(=O)CSc1nc(-c2ccccc2F)n[nH]1 9455369 VVOGFVUPFTYIOO-CYBMUJFWSA-N 370.453 3.889 0 40 FHAB Cc1ccccc1CN1CCCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 31765385 GTFMNIZBQAZXHX-UHFFFAOYSA-N 365.452 3.964 0 40 FHAB COc1ccc(-c2nnc(NC(=O)Cc3ccc(C)cc3C)o2)cc1OC 5372664 BSKDFKHNQBFWKV-UHFFFAOYSA-N 367.405 3.552 0 40 FHAB CC(C)COC(=O)Nc1nc(CC(=O)NCC2CCCCC2)cs1 12440552 CZPFQGVWZXOTOS-UHFFFAOYSA-N 353.488 3.587 0 40 FHAB O=C(Nc1cccc(Cl)c1)c1ccc(=O)n(Cc2ccccc2F)c1 15883159 SASKGPVWDVJMSJ-UHFFFAOYSA-N 356.784 3.941 0 40 FHAB FC(F)(F)c1ccc(CN2CCC[C@H](COc3cnccn3)C2)cc1 2298206644 SXABIFFBYFHYFR-HNNXBMFYSA-N 351.372 3.786 0 40 FHAB COc1cccc2c1OCC(=O)N(c1ccc(Br)cc1C)C2 65184570 FWQNMRXBBDDHQC-UHFFFAOYSA-N 362.223 3.692 0 40 FHAB COc1ccc(CN(C)C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1 40104016 BMXKUPCIBCTTIP-UHFFFAOYSA-N 355.438 3.954 0 40 FHAB CCCCNC(=O)[C@@H]1CCCN(C[C@H](O)c2ccc3ccccc3c2)C1 51058526 GAIZDGHXIBLMDL-RTWAWAEBSA-N 354.494 3.502 0 40 FHAB CN(C)c1ccc(C[C@H]2C(=O)N(C)c3ccc(Br)cc32)cc1 101014362 SWPOOULXYWUCTB-MRXNPFEDSA-N 359.267 3.818 0 40 FHAB O=C(Oc1ccc2c(Cc3ccc(Cl)cc3)noc2c1)N1CCOCC1 20732660 AYUVJTPDULQNDJ-UHFFFAOYSA-N 372.808 3.903 0 40 FHAB C[C@@H]1C(=O)Nc2ccc(C(=O)CSc3ncnc4sccc34)cc21 102054180 GCXORVUAIJQIRJ-VIFPVBQESA-N 355.444 3.722 0 40 FHAB Brc1cc(CNC2[C@H]3CCC[C@H]2CN(C2CC2)C3)cs1 102125481 IJTCTMQDXCBPFT-STQMWFEESA-N 355.345 3.863 0 40 FHAB Cc1ccc(C(=O)N[C@H](C(=O)N[C@@H]2CCCc3ccccc32)C(C)C)cc1 2635768 AAJOMKOUDGCDKJ-RTWAWAEBSA-N 364.489 3.943 0 40 FHAB Cc1ccc(/C=C/S(=O)(=O)Nc2c(C(N)=O)sc3ccccc23)cc1 78900017 LRDCVCTXHVXLDG-ZHACJKMWSA-N 372.471 3.721 0 40 FHAB Cc1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CCC4)cc1Cl 3018097 KSUBBCGZKBRZOZ-UHFFFAOYSA-N 373.865 3.547 0 40 FHAB O=c1oc(-c2nccc3ccccc23)nn1Cc1ccc2ccccc2n1 4933133 IQJFAXZQPBQSNQ-UHFFFAOYSA-N 354.369 3.648 0 40 FHAB Cc1cc(I)cnc1NC(=O)c1cccc(Cl)c1 6572491 OZRAWWNTHLQODK-UHFFFAOYSA-N 372.593 3.900 0 40 FHAB COc1cccc(-c2nc(CSc3nc(C)cc(N)n3)cs2)c1OC 22090563 DNRJBPBQUAADDW-UHFFFAOYSA-N 374.491 3.800 0 40 FHAB COc1ccccc1[C@H]1CC(=O)c2c(C)nn(-c3nc4ccccc4[nH]3)c2C1 10157252 XVVRTOJBSPIBOO-CQSZACIVSA-N 372.428 3.978 0 40 FHAB Cc1c(Cl)cccc1NC(=O)c1ccc(NC(=O)CCC(=O)O)cc1 8434629 GJGMPOKBSTVSDS-UHFFFAOYSA-N 360.797 3.704 0 40 FHAB CC(C)(C)OC(=O)Nc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 8699156 YHJJSEHJTOCAFF-CYBMUJFWSA-N 366.414 3.684 0 40 FHAB CCN(Cc1cccc(F)c1)C(=O)[C@@H](NC(=O)C1CCCCC1)C(C)C 23019535 YMIZRLGKIQGIGR-IBGZPJMESA-N 362.489 3.895 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)CCc2c(C)noc2C)cc1OC 23386405 DYZJBMGZWOKNTC-QGZVFWFLSA-N 358.438 3.605 0 40 FHAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CSCN1C(=O)c1ccccc1 55289400 ZQZHHCAVUAMASQ-OAHLLOKOSA-N 364.829 3.633 0 40 FHAB CC(C)(C)c1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)C2)cc1 57698614 NFKITBLQESLVLB-UHFFFAOYSA-N 372.534 3.838 0 40 FHAB COc1ccc2oc(C(=O)NCCCc3nc4ccccc4[nH]3)c(C)c2c1 12507156 SIOBCINNLOEZNJ-UHFFFAOYSA-N 363.417 3.989 0 40 FHAB CCc1cc(=O)n(CC(=O)Nc2ccc(C)cc2C)c(-c2ccccc2)n1 57527217 BZERBGSHTJYDHP-UHFFFAOYSA-N 361.445 3.728 0 40 FHAB Cc1ccc(Cn2cc(Br)c(NC(=O)c3ccncc3)n2)cc1 27917259 RQXINJCOAAINHY-UHFFFAOYSA-N 371.238 3.650 0 40 FHAB CCCNC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl 20493352 PJJMBXFMQGZIBM-UHFFFAOYSA-N 366.870 3.589 0 40 FHAB COc1ccccc1N[C@H](NC(=O)OC(C)C)C(Cl)(Cl)Cl 1893160 XTUZBRWMARMFAJ-LLVKDONJSA-N 355.649 3.938 0 40 FHAB CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc3ccccc3n2)C1 58179445 MKYNNKDOJYXUCB-SFHVURJKSA-N 367.493 3.784 0 40 FHAB CCc1ccc(CN(C)Cc2nc(O)c3cnn(-c4ccccc4)c3n2)cc1 48274805 DEFIIIQDOPNIDY-UHFFFAOYSA-N 373.460 3.716 0 40 FHAB CCCCCn1nc(C(=O)Nc2ncc(C)s2)c2ccccc2c1=O 3444784 GZTRNFHGLJKVPR-UHFFFAOYSA-N 356.451 3.604 0 40 FHAB Cc1cc(C)c(NC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)c(C)c1 12972176 SGFOPXWNDSEFOJ-MRXNPFEDSA-N 352.434 3.755 0 40 FHAB c1ccc(-c2nn(-c3ccccc3)cc2CNCCCn2ccnc2)cc1 39997022 AJQKQCJJGVTYEA-UHFFFAOYSA-N 357.461 3.916 0 40 FHAB N=C1S[C@H](CC(=O)Nc2ccccc2Cl)C(=O)N1c1ccccc1 5253061 VDJSXFPVFWKHAC-CQSZACIVSA-N 359.838 3.752 0 40 FHAB O=C(c1cn[nH]c1-c1ccccc1)N1CCN(c2ccccc2Cl)CC1 14095743 NCLASITXELGMQK-UHFFFAOYSA-N 366.852 3.693 0 40 FHAB Cc1csc(=O)n1CCSc1nnc(-c2ccco2)n1CC(C)C 14135452 TXGVQYCMINFDRE-UHFFFAOYSA-N 364.496 3.518 0 40 FHAB C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(-n2cncn2)cc1 6540956 MIFAWRMEQYJTQA-CYBMUJFWSA-N 374.366 3.706 0 40 FHAB Cc1ccc(C)c(OCC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c1 6551348 FATNCZWIBDPKFX-QFIPXVFZSA-N 369.461 3.967 0 40 FHAB CC[C@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)CCCC2 170570637 DLIMRQAVXBVDMA-RXVVDRJESA-N 351.446 3.973 0 40 FHAB Cc1ccccc1C(=O)N1CCC(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)CC1 8935829 UCEOHTCNFKWNQQ-ICSRJNTNSA-N 368.521 3.886 0 40 FHAB COc1ccccc1/C=C/c1nn2c(COc3ccccc3)nnc2s1 4664892 UCPWQKUQIBGFIM-VAWYXSNFSA-N 364.430 3.944 0 40 FHAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1 4741887 BYVXATHLQZRYGX-LJQANCHMSA-N 363.417 3.897 0 40 FHAB CC[C@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc2c(c1)CCCC2 170570639 DLIMRQAVXBVDMA-GHTZIAJQSA-N 351.446 3.973 0 40 FHAB CCCCCn1c(O)c(C(=O)NCc2ccccc2)c(=O)c2ccccc21 5736184 GSWXCCXYQYIPFD-UHFFFAOYSA-N 364.445 3.827 0 40 FHAB O=c1c2ccccc2nc(/C=C/c2ccc(O)cc2)n1-c1cccc(O)c1 4828228 IKXUBNUNABDBFN-JLHYYAGUSA-N 356.381 3.967 0 40 FHAB CC(C)c1ccc(C(=O)N2CCC(NC(=O)c3ccsc3)CC2)c(O)c1 66942117 UTUKJNNEQXUBRI-UHFFFAOYSA-N 372.490 3.612 0 40 FHAB C[C@H]1CN(c2ccc(NC(=O)c3sccc3C3CC3)cn2)C[C@@H](C)O1 67166598 ABAIQGSYCDUXKQ-BETUJISGSA-N 357.479 3.886 0 40 FHAB CC(=O)c1ccccc1OCCSc1nnnn1-c1cccc(C)c1C 15512800 TZFSMBFUCJJKBE-UHFFFAOYSA-N 368.462 3.653 0 40 FHAB COc1ccccc1C(=O)NCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 15982828 LDJDJLOKRZIMKS-UHFFFAOYSA-N 372.424 3.635 0 40 FHAB CN(Cc1ccccc1Br)C(=O)c1cncn1-c1ccccc1 7984820 VOBAENZIUOQOMC-UHFFFAOYSA-N 370.250 3.907 0 40 FHAB Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)c1 7970183 LSZJQLPZDDSQEP-MRXNPFEDSA-N 356.853 3.944 0 40 FHAB NC(=O)N[C@H](CC(=O)N[C@H]1CCCc2ccccc21)c1ccc(Cl)cc1 8076546 IHXMXAQEEFDECF-ZWKOTPCHSA-N 371.868 3.633 0 40 FHAB O=C(COC(=O)c1cc(Cl)ccc1Cl)NCc1ccccc1F 8070534 YVGUCGPCRGPHGA-UHFFFAOYSA-N 356.180 3.606 0 40 FHAB CC(=O)[C@H](C)Sc1nnc(COc2ccccc2Cl)n1C1CC1 9579094 RDCBDARKELGTOV-NSHDSACASA-N 351.859 3.915 0 40 FHAB O=C(NCCC12CC3CC(CC(C3)C1)C2)[C@H]1CC(=O)N(C2CCCC2)C1 69376802 QYXGLPWAMADQKB-XDHFQJGLSA-N 358.526 3.500 0 40 FHAB CCO[C@H]1C[C@H](NC(=O)Nc2nc(-c3ccccc3)ns2)C12CCC2 84800805 LNJXKXNAZJNBAN-KBPBESRZSA-N 358.467 3.674 0 40 FHAB COc1ccc(Cn2nc(C)cc2NC(=O)c2cccc(F)c2)cc1OC 20739590 DCWDRPPQSMDLSO-UHFFFAOYSA-N 369.396 3.648 0 40 FHAB CCOC(=O)c1c(C)nc(Nc2nc(C)c3ccc(C)cc3n2)nc1C 20634085 WJYGNWZYRSYJEU-UHFFFAOYSA-N 351.410 3.574 0 40 FHAB Cc1cc(Oc2ccccc2F)nc([C@@H]2CCCN2Cc2cncn2C)n1 72384435 GJGSDDINVJXFTP-KRWDZBQOSA-N 367.428 3.787 0 40 FHAB COc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c(OC)c1 38834632 BGRJSYPEYNYAKP-QGZVFWFLSA-N 354.450 3.555 0 40 FHAB CCN(CC)c1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 30581948 XYNIJEFTNCPFNH-UHFFFAOYSA-N 365.477 3.908 0 40 FHAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1nc(-c2cccc(C)c2)no1 219318797 WMYIAZZOYCMPLQ-GOSISDBHSA-N 365.433 3.827 0 40 FHAB Cn1cc(CNC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cn1 71195075 HTZVFKHRLCLZTK-UHFFFAOYSA-N 355.825 3.583 0 40 FHAB Cc1n[nH]cc1C(=O)N1CCC[C@H]1c1cccc(Cc2ccc(F)cc2)n1 72358049 IYRJZPBRPNQTRY-FQEVSTJZSA-N 364.424 3.820 0 40 FHAB COc1ccc(NC(=O)CCc2nc(-c3cccc(Cl)c3)no2)cc1 41184935 OIAKUNNOSFBKCT-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB CC(C)(C)c1ccc(C(=O)NCc2ccnc(N3CCCCC3)n2)cc1 224205421 SCFCMNONDLVOMJ-UHFFFAOYSA-N 352.482 3.694 0 40 FHAB O=C(Nc1cccc2ncccc12)c1ccc(O[C@@H]2CCSC2)nc1 225715425 ODBLNQFAJNGOHO-CQSZACIVSA-N 351.431 3.766 0 40 FHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 222769262 LNEWKZAFBQKQGQ-STQMWFEESA-N 368.325 3.898 0 40 FHAB Cc1cc(-c2nn3c(C(F)(F)F)nnc3s2)ccc1Br 226293721 KONARFGWPLQTPF-UHFFFAOYSA-N 363.162 3.943 0 40 FHAB COc1ccc(C(=O)NCc2ccccc2CN2CCCC2)cc1Cl 224801968 NBRDYXBKYFEVAL-UHFFFAOYSA-N 358.869 3.874 0 40 FHAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1 223779422 GISVRUKATYDQTI-RTBURBONSA-N 364.474 3.606 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=S)NCc2ccccc2F)c1 225835744 UOVFJCAERYJDCK-UHFFFAOYSA-N 352.818 3.752 0 40 FHAB O=C(c1cc(Cn2cccn2)on1)N1CCCC[C@@H]1c1ccc(F)cc1F 572668164 BMIHSQZSGUAVTJ-GOSISDBHSA-N 372.375 3.565 0 40 FHAB COc1ccc([C@H](C)NS(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1 222849068 MXHRZFLGYUBSQZ-AWEZNQCLSA-N 371.458 3.897 0 40 FHAB Cc1nc(NCCN2CCC[C@H](c3ccccc3)C2)c2nc(C)oc2n1 91473994 MTERXQFZHLXFBD-KRWDZBQOSA-N 351.454 3.526 0 40 FHAB Oc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCCO3)cc1 95483166 ZTGOKSHBIQSGJY-UHFFFAOYSA-N 360.373 3.617 0 40 FHAB O=C(C[C@@H]1CC2(CCN(Cc3ccco3)CC2)c2ccccc21)NC1CC1 96052967 WWACETQFRBWYTC-QGZVFWFLSA-N 364.489 3.969 0 40 FHAB COC(C)(C)C(=O)N1CCC[C@@H](c2csc(Nc3ccc(C)cn3)n2)C1 257264477 LUNRONLZVFPQNZ-CQSZACIVSA-N 374.510 3.721 0 40 FHAB CN(C(=O)c1ccc(NCC2Cc3ccccc3C2)cc1)C1CCOCC1 585085020 JUIOESSBCGDHHM-UHFFFAOYSA-N 364.489 3.765 0 40 FHAB CC(C)(C)C(=O)N1CCC[C@H]1c1ccnc(-c2cncc(C(=O)O)c2)c1 257213092 CGDPGRZSANOBHW-KRWDZBQOSA-N 353.422 3.551 0 40 FHAB C[C@@H](SCc1cc2n(n1)CCCC2)C(=O)NCc1ccc(Cl)cc1 593197321 XKPCXNIYUDIJNP-CYBMUJFWSA-N 363.914 3.811 0 40 FHAB Cc1ccc([C@H](Cn2ccnc2)NCc2cnc3c(C)cccn23)c(C)c1 1662017955 KOEXDPXNGVHFPG-NRFANRHFSA-N 359.477 3.987 0 40 FHAB COc1ccc(CN2CC[C@H](c3nc(-c4ccc(OC)cc4)no3)C2)cc1 585172046 NKGKOLWMMNETIL-KRWDZBQOSA-N 365.433 3.743 0 40 FHAB O=C(N1CCC[C@@]2(CCCN2Cc2cc(F)ccc2F)CC1)C1(F)CC1 585100407 QSKKZHPSDMUHDP-LJQANCHMSA-N 366.427 3.814 0 40 FHAB COc1cccc(CN(C)[C@H]2CCC[C@@H](Oc3cccc(C)c3)[C@@H]2O)c1 585289903 WWDJFKWULZAEHD-BHDDXSALSA-N 355.478 3.796 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)NCc1nn(C2CCCC2)c2c1CCCC2 96103948 DRMDUDHDCSWNNX-INIZCTEOSA-N 367.493 3.961 0 40 FHAB COc1cc(F)cc(NC(=O)C2(c3cncc(Br)c3)CC2)c1 1326995719 FKOJOJCANGZPLO-UHFFFAOYSA-N 365.202 3.662 0 40 FHAB N#C/C(=C\c1cc(Br)ccc1O)C(=O)Nc1ccc(F)cc1 5863409 JLYHTXVKZGVZOU-YRNVUSSQSA-N 361.170 3.839 0 40 FHAB Cc1ccc(NC(=O)COc2ccc(Br)cc2C=O)cc1C 5871659 NEHIIIPUGMSZFO-UHFFFAOYSA-N 362.223 3.896 0 40 FHAB CCc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)c1 11975863 MYCHFIGAFDAVLY-UHFFFAOYSA-N 366.490 3.699 0 40 FHAB c1cncc(-c2nc(NCCN3CCCC3)ncc2-c2ccsc2)c1 12337113 YADXRMDLLIOJPQ-UHFFFAOYSA-N 351.479 3.775 0 40 FHAB COc1ccccc1C1=NN(C(=O)C(C)C)[C@H](c2ccc3nccnc3c2)C1 12422075 VVGNDFSFAQDONU-FQEVSTJZSA-N 374.444 3.972 0 40 FHAB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc2c(c1)OCO2 12586635 JPUQYPULZQTDSH-QRTARXTBSA-N 362.422 3.576 0 40 FHAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1OCC 13668683 DPZOCAHXQSHECM-HNNXBMFYSA-N 363.479 3.832 0 40 FHAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NCCc1cccc(Cl)c1)[C@@H]2C(=O)O 16225995 RETBMQRJDXWTDX-BURFUSLBSA-N 361.869 3.692 0 40 FHAB CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=S)N[C@@H]1c1ccccc1 16679942 NBVQYOPGXDRYMT-LJQANCHMSA-N 366.486 3.955 0 40 FHAB CCOc1ccc(CN2Cc3ccccc3OC3(CCN(C)CC3)C2)cc1 19533404 QLJAHOBQNLMXFL-UHFFFAOYSA-N 366.505 3.944 0 40 FHAB Cc1[nH]c2ccc(F)cc2c1[C@@H](O)CN1CCN(c2ccccc2F)CC1 19581442 ZFQBNEIRDOSWPJ-FQEVSTJZSA-N 371.431 3.610 0 40 FHAB CCOc1cncc(CN[C@H]2CCOc3c(Br)cccc32)c1 621351082 DTDQKBSKANHYSF-INIZCTEOSA-N 363.255 3.856 0 40 FHAB Cc1ccc(CC(=O)N[C@@H](c2ccccn2)[C@H]2CC[C@H](CN)CC2)cc1 257231941 GIUFFZPTHDNBES-WOIUINJBSA-N 351.494 3.555 0 40 FHAB C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)/C=C/c2ccco2)CC1 23918576 BMXLHNHBNPSFBD-XVJNWHFHSA-N 367.474 3.808 0 40 FHAB CC(C)(C)c1cc(C(=O)NCC2CCOCC2)n(Cc2ccc(F)cc2)n1 2037845499 GOPHIQVKMVZWBZ-UHFFFAOYSA-N 373.472 3.524 0 40 FHAB Cc1cc(C)c(NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)c(C)c1 3007457 BBZOTEUEWGKUEA-UHFFFAOYSA-N 361.401 3.707 0 40 FHAB Cc1ccc(CC(=O)Nc2nc3cc4c(cc3s2)OCCO4)c(C)c1 5268170 WACATEOJJYMXHF-UHFFFAOYSA-N 354.431 3.866 0 40 FHAB Cc1nc2sc(C)c(C)n2c(=O)c1NC(=O)CCSc1ccccc1 11769040 LREUZRXSSGFMFK-UHFFFAOYSA-N 373.503 3.802 0 40 FHAB Cn1cccc1[C@H](CNC(=O)c1ccccc1)N1CCc2ccccc2C1 21151865 MYHPLDYLJLGNKX-QFIPXVFZSA-N 359.473 3.555 0 40 FHAB O=C(c1cc2ccccc2o1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 38729203 RASDXJZGVJAICP-RTBURBONSA-N 374.440 3.521 0 40 FHAB Cc1ccc2c3c1C(=O)C(=O)N3C(C)(C)C=C2CN1[C@@H](C)CCC[C@@H]1C 334161241 XAZGECPBGQZRLB-GJZGRUSLSA-N 352.478 3.963 0 40 FHAB C[C@@H]1C[C@@H](Cc2ccc(-c3ccccc3)cc2)N(C(=O)CCC(=O)O)C1=O 642771950 VWCKXAQRSUUVFU-BEFAXECRSA-N 365.429 3.525 0 40 FHAB in-vitro Cc1noc(C)c1COc1ccccc1C(=O)NCCOc1ccccc1 23135895 HJUSRFFCABGNGN-UHFFFAOYSA-N 366.417 3.679 0 40 FHAB CN(C)C(C)(C)CNC(=O)NCCC(c1ccccc1)c1ccccc1 24686880 SUSBGRBSYADKBO-UHFFFAOYSA-N 353.510 3.848 0 40 FHAB O=C(Nc1ccccn1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 40079965 JWBJSHRPDDFXFQ-CQSZACIVSA-N 364.232 3.632 0 40 FHAB Cn1ccnc1[C@@H](NCc1cnn(Cc2ccccc2)c1)c1ccccc1 30643892 IIMLUYNARBOUAR-NRFANRHFSA-N 357.461 3.544 0 40 FHAB Cc1cc(F)ccc1NC(=O)CN1C(=O)COc2cc(C(C)(C)C)ccc21 51316221 LZEPRGDNBPWOHF-UHFFFAOYSA-N 370.424 3.796 0 40 FHAB COC(=O)Nc1ccc(OC(=O)c2ccc(N3CCC(C)=N3)cc2)cc1 51899355 MQMWAUMHNGKYDH-UHFFFAOYSA-N 353.378 3.670 0 40 FHAB COc1ccc([C@@H](C)NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1OC 46456558 IUMJIFIXDJUELQ-GFCCVEGCSA-N 369.396 3.724 0 40 FHAB Cc1ccc2cc(C)c3nnc(SCC(=O)N4CCCCC4)n3c2c1C 903145 KTYJYOXKVOGIOV-UHFFFAOYSA-N 368.506 3.912 0 40 FHAB COc1cccc(-n2ccnc2SCC(=O)N2[C@@H](C)CCC[C@H]2C)c1 32885303 SJLFVJBSAFHXGM-GASCZTMLSA-N 359.495 3.763 0 40 FHAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1 102693351 QNIQCNVCVMLXAZ-NJDAHSKKSA-N 370.408 3.738 0 40 FHAB biogenic COc1ccc2cc(C3N4CC5(C)CN3CC(C)(C4)C5)c(Cl)nc2c1 79477386 VZXSBTXVLUJHFF-UHFFFAOYSA-N 357.885 3.943 0 40 FHAB COc1cccc(CC(=O)NCc2ccc(CN3CCCC[C@@H]3C)cc2)c1 32930264 OZLFEUSDFQLOCE-SFHVURJKSA-N 366.505 3.929 0 40 FHAB Cc1cc(C(F)(F)F)n2ncc(C(=O)NCc3ccccc3Cl)c2n1 2749368 MRSXCKVFFGRCGX-UHFFFAOYSA-N 368.746 3.640 0 40 FHAB COc1cccc(C(=O)OCC(=O)Nc2c(C)cccc2C(C)C)c1OC 3385530 GEIOLUDFUWCRTA-UHFFFAOYSA-N 371.433 3.931 0 40 FHAB Cc1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c(C)c1 4117933 APHDERREQKLXCC-UHFFFAOYSA-N 367.474 3.592 0 40 FHAB COc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)o2)c1 6458181 OWEIVLJCTKVRRM-UHFFFAOYSA-N 359.382 3.615 0 40 FHAB CC(C)Cn1nc(C(=O)Nc2ccc(Cl)cc2)c2ccccc2c1=O 6846713 BXUBKSAQVUIJRB-UHFFFAOYSA-N 355.825 3.958 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c(C)c1 7050212 FBKYWJLCGYBHNW-MRXNPFEDSA-N 355.463 3.529 0 40 FHAB CCCCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 7771820 CSTKSYOKJWJVNV-UHFFFAOYSA-N 355.390 3.667 0 40 FHAB Cc1cccc(CS(=O)(=O)NCCCc2cccc(OC(C)C)c2)c1 10543283 GANAAMRYFHFALJ-UHFFFAOYSA-N 361.507 3.834 0 40 FHAB CSc1ncc(Cl)c(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)n1 47254713 DANVXKVOFUQHLN-UHFFFAOYSA-N 351.815 3.612 0 40 FHAB CCOC(=O)c1c(N)sc2c(O)c([S@](=O)c3ccccc3)ccc12 9943022 XMKIGZJRAPZSPN-DEOSSOPVSA-N 361.444 3.533 0 40 FHAB Cc1cc(=O)oc(C)c1C(=O)O[C@H](C)c1nc2ccccc2n1C(F)F 54748703 QTSSWKSEXSQGHN-LLVKDONJSA-N 362.332 3.919 0 40 FHAB C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc(Cl)cc1 12517258 UMCALPUSIQFXGB-CYBMUJFWSA-N 357.841 3.906 0 40 FHAB Cc1cccc(C)c1NC(=O)CNC(=O)c1csc(-c2ccsc2)n1 24952597 TZQFAFMSMKRWHJ-UHFFFAOYSA-N 371.487 3.857 0 40 FHAB CC(=O)Nc1nc(CN(C)Cc2ccccc2N2CCCCC2)cs1 29154996 OGIMNMJVPXUTKZ-UHFFFAOYSA-N 358.511 3.724 0 40 FHAB O=C(COC(=O)c1ccccc1O)Nc1ccc(Cl)c(C(F)(F)F)c1 3292186 KZMMQGDUDHRSKP-UHFFFAOYSA-N 373.714 3.860 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)Nc2cccc(COCc3ccco3)c2)no1 56188616 YTUHZDAODVYRIT-CQSZACIVSA-N 355.394 3.732 0 40 FHAB COc1ccc(C(=O)CN(C2=NCCS2)c2cccc(C)c2)c(F)c1 26506132 VUOKXCZJWXBFFP-UHFFFAOYSA-N 358.438 3.935 0 40 FHAB O=C(CN1C(=O)CSc2ccccc21)Nc1cc(Cl)ccc1F 57741340 NWDLVRQFLDXRIU-UHFFFAOYSA-N 350.802 3.557 0 40 FHAB Cc1nc(C)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)s1 10142986 CNOYLUNAJZTYLJ-QMMMGPOBSA-N 356.806 3.736 0 40 FHAB O=C(C[C@H]1Sc2ccccc2NC1=O)NCC1(c2ccccc2)CCC1 10221475 NGGQIDPEZPPXQG-GOSISDBHSA-N 366.486 3.728 0 40 FHAB O=C1O[C@@H]2C=CC=CC2=C[C@H]1C(=O)N1CCS[C@@H]1c1ccccc1Cl 103215178 LRACAJQOFCOBDM-YXJHDRRASA-N 373.861 3.508 0 40 FHAB Cc1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)c1 103505359 LQGNMLUCVWFUFQ-OALUTQOASA-N 360.413 3.703 0 40 FHAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1cccc(C)c1C)cn2C 22237151 DCEXPTJSTLNYAP-UHFFFAOYSA-N 350.418 3.806 0 40 FHAB O=C(CSc1ncnc2sccc12)N[C@H]1CCCc2ccccc21 3323277 YLVPBRFGDJYWRX-HNNXBMFYSA-N 355.488 3.977 0 40 FHAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCc1cn2ccccc2n1 10355982 GZLCLAZHKDOVPK-ZDUSSCGKSA-N 359.882 3.827 0 40 FHAB COc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1OC 10544495 RTPGHAUPUQVZNP-HNNXBMFYSA-N 365.433 3.600 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccnn1Cc1cccs1 28403637 RBGNQMPJJBLFRU-INIZCTEOSA-N 359.426 3.928 0 40 FHAB Cc1nc(C2(NC(=O)c3cccc(Br)c3)CCCCC2)no1 12787700 ZCAODTNJGHDHSC-UHFFFAOYSA-N 364.243 3.730 0 40 FHAB O=S(=O)(N[C@H]1CCSc2c(F)cccc21)c1ccc(F)c(F)c1 12738144 ZCRSHLSRBBJXEM-AWEZNQCLSA-N 359.394 3.619 0 40 FHAB CC(C)NC(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O 11120044 CONULBJVOKSAEZ-UHFFFAOYSA-N 372.490 3.510 0 40 FHAB COC(=O)C[C@H](NC(=O)N[C@H](C)c1ccccc1F)c1cccs1 29330380 DCQFFVFOYYGJCY-RISCZKNCSA-N 350.415 3.552 0 40 FHAB CCCc1cc(=O)oc2cc(OCC(=O)NCc3cccs3)ccc12 3454309 IPIWAYBGIGHVRE-UHFFFAOYSA-N 357.431 3.502 0 40 FHAB aggregator CSc1nc(C)c(CCC(=O)Nc2c(C)cc(C)cc2Cl)c(=O)[nH]1 12972363 MITJBHRTNNJXHV-UHFFFAOYSA-N 365.886 3.642 0 40 FHAB Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)c(C)c1C 12907626 DXGSSFSQYNMQSE-UHFFFAOYSA-N 365.426 3.867 0 40 FHAB COc1cc(C=O)c(Br)cc1OCc1ccc(C(=O)O)cc1 408849728 YTHLKTLLXJKQIS-UHFFFAOYSA-N 365.179 3.547 0 40 FHAB COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3nc(N)nc3N2)cc1 13131874 ASCOXOGVTZWDAW-CVEARBPZSA-N 355.829 3.669 0 40 FHAB COc1ccc(-c2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1 3911143 ITFFGPUMUXLLKT-UHFFFAOYSA-N 356.838 3.965 0 40 FHAB Cc1c(CC(=O)NC(C)C)c(=O)oc2cc3oc4c(c3cc12)CCCC4 4089544 KEVLCBCZZUUQRT-UHFFFAOYSA-N 353.418 3.794 0 40 FHAB biogenic COCCn1c(SCCOc2cccc(C)c2)nc2ccccc2c1=O 5015655 BZSUEXKTXALXFO-UHFFFAOYSA-N 370.474 3.522 0 40 FHAB C[C@]1(C(=O)N[C@@H]2CCSc3ccc(F)cc32)Cc2ccccc2C(=O)O1 70813388 FGFLNAYOHDWXLK-OXQOHEQNSA-N 371.433 3.651 0 40 FHAB O=C(CN1C(=O)c2cccc3cccc1c23)N[C@@H]1CCCc2ccccc21 6128182 KKGUJZGERJXAJZ-LJQANCHMSA-N 356.425 3.994 0 40 FHAB CCCCCSc1nc2ccccc2n1CC(=O)NC(=O)NC(C)C 5267730 UVMUIIVQPYSAFG-UHFFFAOYSA-N 362.499 3.553 0 40 FHAB COc1ccc(CC(=O)N[C@H]2CCSc3ccc(F)cc32)cc1OC 14186115 CNFMXWQIZCNWIN-HNNXBMFYSA-N 361.438 3.739 0 40 FHAB CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)O)cc1 4550486 MEKJCJOZRBFCMJ-LBPRGKRZSA-N 372.446 3.689 0 40 FHAB O=C(Cc1ccccc1F)Nc1nn2cc(-c3ccccc3)nc2s1 6506926 YGXXVNGEOBWPPU-UHFFFAOYSA-N 352.394 3.778 0 40 FHAB CCN(CC)c1ccc2cc(C(=O)NCc3ccc(F)cc3)c(=N)oc2c1 6517579 UYDLEWMYCZRFFW-UHFFFAOYSA-N 367.424 3.828 0 40 FHAB O=C(CCC(=O)NC12CC3CC(CC(C3)C1)C2)NCCC1=CCCCC1 4603348 CNTRUKBDTIBOHX-UHFFFAOYSA-N 358.526 3.858 0 40 FHAB COc1ccc([C@@H]2SC[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)N23)cc1 4738636 POIHINOKTVMLKS-WMZOPIPTSA-N 354.431 3.586 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3nnc(CC(C)C)s3)cc2)n1 6790562 DWZHDISTIRWCOI-UHFFFAOYSA-N 355.467 3.791 0 40 FHAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(C)cc3F)n2)cc1 5866300 DDQCASURFWMMMJ-UHFFFAOYSA-N 356.426 3.958 0 40 FHAB COc1ccc(CC(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)cc1F 15497211 QGYHDMQNXCSOPS-YLJYHZDGSA-N 368.452 3.520 0 40 FHAB O=C(Nc1nc(-c2ccccc2F)cs1)C(=O)N1CCCCCCC1 80239214 HMMAYDGVCCERML-UHFFFAOYSA-N 361.442 3.680 0 40 FHAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CC(=O)N(c2ccccc2F)C1 7474483 PSSCUJKLQUCRPR-JTQLQIEISA-N 350.752 3.610 0 40 FHAB O=C(CSc1nnc(C2CC2)n1C1CC1)N1CCC[C@@H]2CCCC[C@@H]21 7550991 LRFZVOGKWDDAEN-BBRMVZONSA-N 360.527 3.764 0 40 FHAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)/C=C/c1cccc(OC)c1 7645257 PPDQIRYJODHHCQ-CSKARUKUSA-N 353.418 3.528 0 40 FHAB CCNC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 16126486 MRZCKSBIFUWCOH-UHFFFAOYSA-N 373.261 3.544 0 40 FHAB COc1ccc(-c2cn(CC(=O)c3ccc(C)c(C)c3)c3[n+]2CCC3)cc1 16976208 IHQMEIYCIDPYNN-UHFFFAOYSA-N 361.465 3.897 0 40 FHAB CC(C)NC(=O)NC(=O)COc1ccccc1-c1nc2ccccc2s1 8314456 AEAIKGZTQCFZGU-UHFFFAOYSA-N 369.446 3.576 0 40 FHAB NC(=O)c1cccc(NC(=O)c2occc2CSc2ccccc2)c1 8328668 LUAAAXMQHJSHIA-UHFFFAOYSA-N 352.415 3.923 0 40 FHAB NC(=O)c1cccc(NC(=O)CCCc2ccc(Br)s2)c1 8326563 AELQINWUJFQWPI-UHFFFAOYSA-N 367.268 3.571 0 40 FHAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cccc(S(C)(=O)=O)c1 8328379 JIOXOLDPJKFVHO-UHFFFAOYSA-N 366.442 3.713 0 40 FHAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1cc2ccccc2oc1=O 8391397 PXDJGUGBGHQZPM-UHFFFAOYSA-N 355.365 3.603 0 40 FHAB C[C@H]1CCC[C@H](N2CCC(N3CCN(Cc4ccccc4)CC3)CC2)C1 19888821 KZAYPWPXFXBOLG-REWPJTCUSA-N 355.570 3.847 0 40 FHAB CN(c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cc(C(=O)O)cs1 71820744 VOZRUEFQDLSKRP-UHFFFAOYSA-N 353.465 3.569 0 40 FHAB COC(=O)c1ccoc1CN[C@H](c1cccc(Cl)c1)c1ccccn1 83897526 YKOYZFMGRGNPBB-GOSISDBHSA-N 356.809 3.994 0 40 FHAB Fc1ccc(Cc2noc(CSc3nnc(-c4ccncc4)o3)n2)cc1 84404882 UEZQOKICWSVGNA-UHFFFAOYSA-N 369.381 3.537 0 40 FHAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N[C@@H]3CCCc4ccccc43)c12 22976180 SLASSNGMZCKYMD-GOSISDBHSA-N 360.461 3.962 0 40 FHAB COc1cccc(O[C@H](C)C(=O)Nc2ccccc2Br)c1 20454517 ZBWRXHRYDPOWDY-LLVKDONJSA-N 350.212 3.864 0 40 FHAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCCSCc2ccccc2)c1 32914234 FFFALALSOWYCEZ-DNVCBOLYSA-N 368.502 3.944 0 40 FHAB COc1ccc(C(=O)Nc2ccccc2-n2nc(C)cc2C)cc1OC 36763616 SHBBIXCBCFIXOF-UHFFFAOYSA-N 351.406 3.759 0 40 FHAB Cc1ccc2nc(C)c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)n2c1 71468744 OLZIWFTUJYERAH-UHFFFAOYSA-N 368.868 3.567 0 40 FHAB COC(=O)c1ccc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 219850458 JCFNDRVAFHWYIZ-UHFFFAOYSA-N 352.434 3.637 0 40 FHAB O=S(=O)(c1ccc(Cl)cc1)[C@@H]1[C@@H](CO)[C@@H]1c1cccc(Cl)c1 218589975 KAANBJQCTHHYLY-HRCADAONSA-N 357.258 3.542 0 40 FHAB Cc1ccc(OCC(=O)NCc2cccc(CN3CCCC3)c2)cc1C 32462286 UFYWLBRDOQXFJW-UHFFFAOYSA-N 352.478 3.594 0 40 FHAB Cn1cncc1CN1CCC[C@@H](c2cncc(Oc3ccccc3F)n2)C1 72363162 DGLWNRKGSVBOTC-OAHLLOKOSA-N 367.428 3.521 0 40 FHAB Cc1cc(Oc2ccccc2C)nc([C@@H]2CCCN2C(=O)c2cc[nH]n2)n1 72384022 JSLNSTRSADAEEJ-INIZCTEOSA-N 363.421 3.586 0 40 FHAB O=C(c1cnccn1)N1CCC[C@@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1 72380303 DFWKDBJGAFVNLN-CQSZACIVSA-N 367.840 3.540 0 40 FHAB O=C(NC1CC1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 46078846 VSBGARLHHYNZNZ-UHFFFAOYSA-N 354.837 3.825 0 40 FHAB COc1ccc(-c2noc(CNC(=O)CCc3ccc(Cl)cc3)n2)cc1 225311972 VWYOYJMKDBFSMH-UHFFFAOYSA-N 371.824 3.648 0 40 FHAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 222535564 BSUDHTFAUZUKBY-INIZCTEOSA-N 372.896 3.663 0 40 FHAB CN(CCOc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCO2 40017269 NKVOMOLLOXGUGU-UHFFFAOYSA-N 361.825 3.539 0 40 FHAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)Cc1ccccc1 224053185 ZSWYFAHYCNXLLP-INIZCTEOSA-N 370.468 3.700 0 40 FHAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC1CCCCC1 224817581 MKTMSXZWWGEXGO-AWEZNQCLSA-N 350.890 3.916 0 40 FHAB COc1ccc(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1C 225203962 GKQHHQFCUDPDJV-UHFFFAOYSA-N 352.434 3.702 0 40 FHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)[nH]1 223485388 XGJPWSZRGINUKW-RTBURBONSA-N 363.490 3.594 0 40 FHAB Cc1ccc2nc([C@@H]3CCCN(c4ccnc5c4c(C)nn5C)C3)[nH]c2c1 333665410 MGJSZJIHCAPJJS-OAHLLOKOSA-N 360.465 3.845 0 40 FHAB COc1ccc(Cl)cc1C1(c2noc([C@@H]3CCc4n[nH]cc4C3)n2)CC1 576615573 ZNPHKQKONHWGPN-LLVKDONJSA-N 370.840 3.807 0 40 FHAB CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1ccc(F)c(F)c1F 96224182 OJTXDGPPJFOKNX-UHFFFAOYSA-N 361.323 3.656 0 40 FHAB Cc1nc([C@H]2COCCN2C(=O)CCc2ccc(Cl)cc2)cs1 96218736 QOYIMLCSGJKGHZ-MRXNPFEDSA-N 350.871 3.638 0 40 FHAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc2c(n1)[C@@]1(C)CC[C@H]2C1(C)C 245229572 BHHDRZXOUBBXFT-MWBIGIAMSA-N 374.554 3.928 0 40 FHAB Cc1noc(C)c1-c1ccc([C@H]2CCCN2C(=O)CC2CCOCC2)nc1 257334153 YESPMWGRACIJRZ-LJQANCHMSA-N 369.465 3.834 0 40 FHAB COc1ccccc1CC(=O)N1C[C@H]2[C@@H](Oc3ccccc3)CC[C@H]2C1 257319477 VSSUYOJZWWIPAU-DSKINZAPSA-N 351.446 3.554 0 40 FHAB Cc1cc([C@@H]2CCCCN2Cc2c[nH]cn2)nc(-c2c(C)noc2C)n1 257288539 PUPCZYLLXBNMOD-KRWDZBQOSA-N 352.442 3.507 0 40 FHAB CC(C)(C)OC(=O)c1ccccc1C(F)(F)[C@](F)(C(=O)O)N(F)F 56953539 KYBCPGQGAYJFMV-AWEZNQCLSA-N 355.259 3.555 0 40 FHAB biogenic CON1CCC(CC(=O)N2CCC(c3nc4ccccc4s3)CC2)CC1 665354990 GLLOLHSJYLESNE-UHFFFAOYSA-N 373.522 3.666 0 40 FHAB CCC(CC)n1ccc(CN2CCc3c(ncn3CC)C23CCOCC3)n1 1775962804 HZPNWYGMDXECOD-UHFFFAOYSA-N 371.529 3.525 0 40 FHAB COc1c(S(=O)(=O)Nc2ccccc2F)ccc(Cl)c1Cl 1776003929 FSEHVTCZBRDKHO-UHFFFAOYSA-N 350.198 3.942 0 40 FHAB COc1cc([C@H](C)NC(=O)Nc2ccc(Cl)cc2)ccc1OCCO 55338921 FJAUCNJSAUJLTI-LBPRGKRZSA-N 364.829 3.602 0 40 FHAB C[C@@H]1CN([C@H](CNC(=O)CC(C)(C)C)c2c(F)cccc2Cl)CCO1 60453604 MXNJTCFRMMCIRH-CZUORRHYSA-N 370.896 3.793 0 40 FHAB CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@@]2(C)C(=O)[C@H](OC(C)=O)C[C@H]12 5228508 QZQSENRWYLQIPC-SXEONFLVSA-N 370.445 3.579 0 40 FHAB CC(C)c1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc1 5278755 GMPXQDSQFDADEP-AWEZNQCLSA-N 372.490 3.773 0 40 FHAB Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccccc2O)n[nH]1 5576958 PVAUFOVMEOONTA-UHFFFAOYSA-N 374.853 3.870 0 40 FHAB CCOc1ccc(CN2CCC(c3nn(C)c4ncccc34)CC2)cc1 12186674 AFQVYERWXURYLF-UHFFFAOYSA-N 350.466 3.747 0 40 FHAB COc1ccccc1OCCN(C)C(=O)c1c(C)oc2ccc(O)cc12 12290601 COIBWAIYDZMTMN-UHFFFAOYSA-N 355.390 3.606 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCC2)c(C)c1 13059045 BUKOBUVWERAPKU-UHFFFAOYSA-N 372.490 3.777 0 40 FHAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(F)cc1Cl 17968185 LCRAAKAYBBUVCR-UHFFFAOYSA-N 374.721 3.607 0 40 FHAB CNc1cc([C@@H]2CCCN(C(=O)CC(C)(C)C)C2)nc(-c2cccnc2)n1 19082623 PAADBLKGCFQCCS-MRXNPFEDSA-N 367.497 3.723 0 40 FHAB C[C@@H](CCN1C[C@H]2CCc3nnc(-c4ccncc4)n3[C@H]2C1)c1ccccc1 19455735 ZTMUFQCCNWOSIC-WMQCIHAUSA-N 373.504 3.953 0 40 FHAB CCNC(=O)[C@]1(Cc2cccc(-c3ccc(C)cc3)c2)CCN(C(C)=O)C1 19528787 PUAKVXUMDJUZPE-QHCPKHFHSA-N 364.489 3.579 0 40 FHAB Cc1noc(-c2c[nH]nc2[C@H]2CCCN2C(=O)Cc2ccc(F)cc2)c1C 19558036 NUBNZZNUTULQNI-QGZVFWFLSA-N 368.412 3.727 0 40 FHAB CN(c1ncc(Cl)cn1)C1CCN(Cc2cccc(Cl)c2)CC1 1889128267 LWACQLQXUFXVIJ-UHFFFAOYSA-N 351.281 3.884 0 40 FHAB C[C@H](C(=O)Nc1ccccc1Cl)N1CCN(CCc2ccccc2)CC1 22015238 GSQRMJVDSOOVPP-QGZVFWFLSA-N 371.912 3.527 0 40 FHAB COc1ccc(-c2cc3nc(CN4CCC(C)CC4)[nH]c(=O)c3s2)cc1 22010436 YMVRRHGAIYVNSG-UHFFFAOYSA-N 369.490 3.892 0 40 FHAB COC(=O)c1ccoc1COC(=O)c1ccccc1C(=O)c1ccccc1 22414576 PURGANGGJCEFBV-UHFFFAOYSA-N 364.353 3.654 0 40 FHAB COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccccc1OC 4033133 HSBKPNRYSJYYPE-UHFFFAOYSA-N 374.400 3.666 0 40 FHAB O=C(C[C@@H](C(=O)O)N1CCCCC1)Nc1ccc(Oc2ccccc2)cc1 5257891 BRMANGLXLBKCOO-IBGZPJMESA-N 368.433 3.747 0 40 FHAB CCC(=O)N1CCCc2cc(NC(=O)COc3ccc(C)cc3)ccc21 8768675 OWUKYJHXPUTWMJ-UHFFFAOYSA-N 352.434 3.702 0 40 FHAB COCCNc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccccc1 12419234 ZFWDPECEZJWOMY-UHFFFAOYSA-N 372.446 3.541 0 40 FHAB O=C(CCSc1ccccc1)N1CC[C@H](N2CCc3ccccc3C2)C1 225685137 LTZSTTDMQZXBOB-FQEVSTJZSA-N 366.530 3.828 0 40 FHAB CCOc1ccc(-c2nc(N)ncc2Oc2cccc(OC)c2)c(O)c1 13122465 MJXVNSUODWBDCR-UHFFFAOYSA-N 353.378 3.631 0 40 FHAB aggregator,biogenic C[C@H](Sc1ncnc2[nH]cnc12)C(=O)Nc1cc(Cl)ccc1Cl 13578868 XXZFDQAVSIYUCN-ZETCQYMHSA-N 368.249 3.779 0 40 FHAB COc1ccc([C@H](NC(=O)C[C@@H]2OC(=O)c3ccccc32)C2CC2)cc1 73089222 UPEOUCDTWPVSSN-AZUAARDMSA-N 351.402 3.564 0 40 FHAB CC(C)[C@H](NC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1ccc(Cl)cc1 40057641 DUUVQWDDISNECI-SFHVURJKSA-N 372.852 3.674 0 40 FHAB CCOc1ccc2nc(S[C@H](C)c3nnnn3-c3ccccc3)[nH]c2c1 40123137 YLPCCWFSCSLLEG-GFCCVEGCSA-N 366.450 3.791 0 40 FHAB CSc1nn(C)c2nc3c(c(=O)n12)C1(CCCCC1)Cc1ccccc1-3 20726394 DKZQIJGDUAMOKK-UHFFFAOYSA-N 366.490 3.575 0 40 FHAB Cc1ccc(CN2C[C@@H](C(=O)Nc3c(C)cccc3Cl)CC2=O)cc1 32622063 GNPYYWKQXIDDNB-INIZCTEOSA-N 356.853 3.944 0 40 FHAB CCOc1ccc(CCNC(=O)c2cc3ccccc3[nH]2)cc1OCC 8243884 YVWZSQVOUIIZKN-UHFFFAOYSA-N 352.434 3.938 0 40 FHAB O=C(COC(=O)c1ccc2c3c(cccc13)CC2)c1ccc2c(c1)OCO2 32850617 LIYQBIMBLWVJSK-UHFFFAOYSA-N 360.365 3.707 0 40 FHAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCCC2=O)cc1 2639494 CHRCIIVSZWIBPJ-UHFFFAOYSA-N 364.323 3.964 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)cc1 2767311 GAEIYFPTMIZGLU-UHFFFAOYSA-N 361.854 3.694 0 40 FHAB Cc1sc(CN2CCOCC2)nc1-c1ccc(Br)cc1 78594757 QLTOBTHLRDFKNA-UHFFFAOYSA-N 353.285 3.713 0 40 FHAB Cc1cc(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)no1 3334252 CBNXIGILTLSSJO-UHFFFAOYSA-N 364.477 3.691 0 40 FHAB CCOc1ccc(NC(=O)[C@H](NC(=O)OCc2ccccc2)C(C)C)cc1 32975904 CKOIMBTXWUVPGZ-LJQANCHMSA-N 370.449 3.975 0 40 FHAB COc1cc(OC)cc([C@@H]2Nc3nonc3N=C3CC(C)(C)CC(O)=C32)c1 102736235 HWBOESPTCOYUAW-INIZCTEOSA-N 370.409 3.958 0 40 FHAB Cc1ccccc1NC(=S)N1CCC(NC(=O)c2ccc(F)cc2)CC1 4857675 KSYQYLXXFDADBQ-UHFFFAOYSA-N 371.481 3.725 0 40 FHAB CCCCn1nc(C(=O)Nc2ccc(F)c(F)c2)c2ccccc2c1=O 6429969 KGQBALWAUBCXBK-UHFFFAOYSA-N 357.360 3.727 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3)o2)cc1 6922906 UXLCNRZIZGCBFK-UHFFFAOYSA-N 369.446 3.996 0 40 FHAB COc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1OC 12221409 QJNLWCHOVOXUOK-INIZCTEOSA-N 351.406 3.557 0 40 FHAB CCOC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc2c1CCCC2 694612 ARHMNHIWZSMZJF-UHFFFAOYSA-N 373.430 3.785 0 40 FHAB O=S(=O)(NCc1ccccc1Cl)c1ccc(Br)s1 639895 DDPYGKQUSRBVPU-UHFFFAOYSA-N 366.689 3.643 0 40 FHAB Cc1ccc(OCC(=O)N[C@H]2CCc3ccccc32)c(Br)c1 23080130 MGGZNDNWNHXALU-INIZCTEOSA-N 360.251 3.940 0 40 FHAB O=C(NCCc1ccccn1)Nc1cccc(COC[C@@H]2CCCCO2)c1 47626656 IWOXAHLMNUKZGF-FQEVSTJZSA-N 369.465 3.532 0 40 FHAB CC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1cccs1 24318066 HWIWGSRDHAGQBE-FZKQIMNGSA-N 360.454 3.754 0 40 FHAB C[C@@H](CCCOc1ccccc1C(N)=O)N[C@@H](C)c1ccc(F)cc1F 97162445 PUIDXAXJSWAQKH-KBPBESRZSA-N 362.420 3.962 0 40 FHAB CCC(C)(C)C1CCC(NC(=O)c2ccc(N3CCOCC3)nc2)CC1 26042241 HDRXVMUDAHRFOG-UHFFFAOYSA-N 359.514 3.643 0 40 FHAB COCc1ccccc1CNC(=O)N1CCN(c2ccccc2Cl)CC1 26389983 VYHMVGRVGHFEMB-UHFFFAOYSA-N 373.884 3.518 0 40 FHAB COc1ncccc1CNC(=O)N[C@H](c1ccccc1)c1cccs1 26384204 QHWWEFGDFLDVPO-QGZVFWFLSA-N 353.447 3.741 0 40 FHAB COc1ccc(CCNC(=O)CCCOc2cccc(C)c2)cc1OC 1773751 FPPSCZDORNRILM-UHFFFAOYSA-N 357.450 3.530 0 40 FHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 22521475 VSDICTIBFXTJTM-CBGDNZLLSA-N 360.542 3.945 0 40 FHAB Cc1cc(C)cc(N(CCC(=O)O)S(=O)(=O)c2ccc(Cl)cc2)c1 3316837 LQQQQCZTHNOAJD-UHFFFAOYSA-N 367.854 3.627 0 40 FHAB Cc1cc2nnc(SCc3nc4ccccc4c(=O)[nH]3)n2c2ccccc12 3339085 IQQFHXBXDRCQIA-UHFFFAOYSA-N 373.441 3.720 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCC(=O)c2ccc(C)cc2)c1C 3313355 DKISOVUPWIPIRT-UHFFFAOYSA-N 369.417 3.532 0 40 FHAB O=C(COc1ccc(F)cc1)NC[C@@H](c1cccs1)N1CCCCC1 27741228 TUMRGTAPDWZFPI-KRWDZBQOSA-N 362.470 3.609 0 40 FHAB COC(=O)c1c(N)n(Cc2ccccc2Cl)c2nc3ccccc3nc12 2196190 FOTMUMJXMAOPPV-UHFFFAOYSA-N 366.808 3.655 0 40 FHAB CCOc1ccc([C@H](C)NC(=O)c2ccc(NC(=O)C3CC3)s2)cc1 10611077 HJGWTCAXHNYVTR-LBPRGKRZSA-N 358.463 3.986 0 40 FHAB COc1cc(CNC(=O)CCC2CCCC2)ccc1OC[C@H]1CCCO1 36395977 TWTDIVSXVHIJHI-GOSISDBHSA-N 361.482 3.840 0 40 FHAB C[C@@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1cc(F)ccc1F 10842210 AOMBEYMPLDBWIK-LLVKDONJSA-N 359.376 3.752 0 40 FHAB Cc1n[nH]c(SCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)n1 11706122 QMLAVHRQKGNEIH-UHFFFAOYSA-N 362.474 3.706 0 40 FHAB COc1ccc(C(=O)OCC(=O)Nc2c(C)cccc2C(C)C)cc1OC 3474109 HSJGGTITHQIKEW-UHFFFAOYSA-N 371.433 3.931 0 40 FHAB C[C@@H]1Oc2c(C(=O)Nc3cccc(C(=O)NC4CC4)c3)cccc2[C@@H]1C 8428221 ZQPYHDDVQMZHBO-OLZOCXBDSA-N 350.418 3.716 0 40 FHAB CN1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccc(F)cc2)CC1 3553067 ZXLYQIGBMNBIGR-RUDMXATFSA-N 373.859 3.883 0 40 FHAB O=C(CCC(=O)c1ccccc1)NCc1ccccc1OC(F)(F)F 13012593 XKQFIGIJCWOATO-UHFFFAOYSA-N 351.324 3.865 0 40 FHAB O=C(c1cc(F)c(F)cc1Cl)N1CCN(c2ccccc2F)CC1 13325964 JFKRXXWSUSQBEP-UHFFFAOYSA-N 354.759 3.720 0 40 FHAB CC(C)N(C(=O)Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1)C(C)C 409141877 JKDMZRQVWHFTRY-UHFFFAOYSA-N 374.466 3.600 0 40 FHAB Cc1ccc(-c2ncc(CN3CCC[C@H](Cn4ccnn4)C3)s2)cc1 92070957 GQPFPUUCNVGLBL-INIZCTEOSA-N 353.495 3.622 0 40 FHAB COc1cccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c1 4384121 GFDRDDLZZMWLPA-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nc3cc(C)ccc3[nH]2)c1C 6292202 MGQDAEBANQSNJG-GFCCVEGCSA-N 371.462 3.966 0 40 FHAB Cc1ccc(-c2csc(=O)n2CC(=O)NCc2ccc(Cl)cc2)cc1 14084077 UXROEVHFNJHDIM-UHFFFAOYSA-N 372.877 3.855 0 40 FHAB CCCCCC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 14189121 IYTCYAZBGQHWHB-UHFFFAOYSA-N 364.511 3.618 0 40 FHAB O=C(Nc1cccnc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 65609471 MFWMNZPKTRHNSK-AWEZNQCLSA-N 367.384 3.682 0 40 FHAB COc1cc(CC(=O)N2CCCc3cc(C)ccc32)cc(OC)c1OC 14423384 OMKFNZMOVIDSMP-UHFFFAOYSA-N 355.434 3.543 0 40 FHAB CC(=O)NCCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 5855493 FBYIAKNHZDIOTC-UHFFFAOYSA-N 358.250 3.582 0 40 FHAB CCc1nc2ccccc2c(C(=O)O[C@H](C)C(=O)NCc2ccco2)c1C 4977598 CJQUEXWLASUXAI-CQSZACIVSA-N 366.417 3.560 0 40 FHAB O=C1c2ccccc2C(=O)N1CCCCSc1nc2ccccc2[nH]1 15275568 ZZCWPFHVJZQLCY-UHFFFAOYSA-N 351.431 3.731 0 40 FHAB CCOc1ccc(-n2c(-c3ccccc3)cnc2SCC(N)=O)cc1 5969800 LHDJFHZDPLZHRM-UHFFFAOYSA-N 353.447 3.515 0 40 FHAB O=C(NCc1nnc2ccccn12)c1ccc(-c2ccccc2Cl)o1 7241143 CSQNZRYVHGXYRS-UHFFFAOYSA-N 352.781 3.573 0 40 FHAB Cc1ccc(NC(=O)CSc2nccn2-c2cccc(F)c2)c(O)c1 7284557 QRLWRYFOJVCLNL-UHFFFAOYSA-N 357.410 3.756 0 40 FHAB Cc1csc([C@](O)(CC(=O)N2c3ccccc3C[C@H]2C)C(F)(F)F)n1 67706918 KMYOSEDRMXOCTE-BDJLRTHQSA-N 370.396 3.569 0 40 FHAB CN(Cc1ccccc1Cl)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 7304650 QSEKWUUAVDHEPS-UHFFFAOYSA-N 373.808 3.609 0 40 FHAB Cc1ccc(CC(=O)O[C@@H](Cn2cncn2)c2ccc(Cl)cc2)s1 68285042 GRDRLBRAIVHWAA-INIZCTEOSA-N 361.854 3.829 0 40 FHAB Cc1ccc(C)c(/C=C2\N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)c1 7925837 OKIVLXINTNRAIB-UYRXBGFRSA-N 360.413 3.775 0 40 FHAB Cc1ccc2[nH]c3c(SCC(=O)NC4CCCCC4)ncnc3c2c1 72331938 WQUIMYRLWCXHNS-UHFFFAOYSA-N 354.479 3.961 0 40 FHAB CCN1c2cc(C(=O)NC3CCCCC3)ccc2C(=O)N2CCCC[C@H]21 97086846 KCUJTPCQNDTKQT-IBGZPJMESA-N 355.482 3.541 0 40 FHAB CCc1noc(C2CCC(NCCc3ccc(OC)c(OC)c3)CC2)n1 95466809 DCUYYTXHQUYRGA-UHFFFAOYSA-N 359.470 3.508 0 40 FHAB CC(C)Oc1ccc(CNC(=O)c2cccc(Nc3cnn(C)c3)c2)cc1 89888037 JPLNCMFSUBHGPA-UHFFFAOYSA-N 364.449 3.881 0 40 FHAB COc1ccccc1CC(=O)NCc1ccc(OCCC(C)C)c(OC)c1 32930832 VPCCDHHQAWFSEU-UHFFFAOYSA-N 371.477 3.988 0 40 FHAB CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc(Cl)c2c(c1)OCO2 32521764 QJOXCESKLNJHLV-UHFFFAOYSA-N 369.751 3.942 0 40 FHAB COCCn1c(C)c(C)c(-c2nc3ccccc3s2)c1NC(=O)COC 32096345 MPKIGAFELFSBCU-UHFFFAOYSA-N 373.478 3.613 0 40 FHAB Cc1ccc(CSc2nnc(CC(=O)Nc3ccccc3)n2C)cc1 33705182 LVMMZXOSACYXQW-UHFFFAOYSA-N 352.463 3.597 0 40 FHAB CSc1ccccc1NC(=O)[C@@H](C)Cn1nc(-c2ccco2)ccc1=O 61984077 GSNHDKHKDCKVAJ-ZDUSSCGKSA-N 369.446 3.500 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)NCc2ccccc2CN2CCCC2)c1C 33223360 OURPZYJVLVUYRB-IBGZPJMESA-N 366.505 3.983 0 40 FHAB CC(C)n1ccc2c(NC(=O)Cc3n[nH]c(=O)c4ccccc34)cccc21 71287366 OSKGTDQXXXYOTC-UHFFFAOYSA-N 360.417 3.640 0 40 FHAB Cn1nc(C(C)(C)C)cc1-c1nn2c(-c3ccc(F)cc3)nnc2s1 40266878 ZJSNVNPSQRKOAW-UHFFFAOYSA-N 356.430 3.690 0 40 FHAB COC(=O)[C@@H]1CC(=O)N(c2cccc(-c3nc4cc(Cl)ccc4o3)c2)C1 45887098 VLOIWHWMKPHHBS-GFCCVEGCSA-N 370.792 3.674 0 40 FHAB COc1ccc(NC(=S)NC2(c3ccccn3)CCCC2)cc1OC 225849966 XISKGUUNWXZYKG-UHFFFAOYSA-N 357.479 3.855 0 40 FHAB O=C(NC[C@H]1CCCN1c1ccccn1)C(c1ccccc1)c1ccccc1 225630206 MPGRXWMTSUOUJT-OAQYLSRUSA-N 371.484 3.999 0 40 FHAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2)c1 225295401 OFKYHFCOWHIZAW-LBPRGKRZSA-N 369.870 3.538 0 40 FHAB COC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)C1 45887130 ATIDHCPUTLZYHJ-GFCCVEGCSA-N 370.792 3.674 0 40 FHAB Cc1ccccc1OCCNC(=O)[C@H](C)Oc1cccc2c1CCCC2 225129887 JHTNYZUPUGRJMA-KRWDZBQOSA-N 353.462 3.836 0 40 FHAB CN(C)c1ccc(-c2nnc([C@H]3CCN(C(=O)C4CCCCC4)C3)o2)cc1 49170877 FTPBBGOUXRBPLF-KRWDZBQOSA-N 368.481 3.699 0 40 FHAB biogenic,in-vitro COc1cccc(-c2noc(CNC(=S)Nc3cc(C)ccc3C)n2)c1 225821717 YQFZHFFXXHCMSR-UHFFFAOYSA-N 368.462 3.849 0 40 FHAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCOCC)nc1C 225905856 BCBOZOULYXLTES-LJQANCHMSA-N 352.475 3.729 0 40 FHAB C[C@@H](CNS(=O)(=O)Cc1ccc(Br)cc1)c1ccccc1 224185302 OJJXKCDFYTZAJE-ZDUSSCGKSA-N 368.296 3.672 0 40 FHAB Cc1ccccc1C(=O)N1CCC2(CCOC[C@H]2COCC2CC2)CC1 96106485 YFYGFWKKZJJIJH-IBGZPJMESA-N 357.494 3.681 0 40 FHAB Cc1occc1C(=O)N1CCC2(CCN(Cc3ccccn3)CC2)CC1 96158378 HVHTZUTUUMLRIG-UHFFFAOYSA-N 353.466 3.501 0 40 FHAB COc1ccc2c(c1)C1(CCN(Cc3ccc(F)cc3)CC1)N(C)CC2 96100215 LBISZZPBLGXOIN-UHFFFAOYSA-N 354.469 3.814 0 40 FHAB O=C(NC1CCCCCCC1)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 97097201 FUGOHDQKEUBUOW-SFHVURJKSA-N 372.444 3.531 0 40 FHAB CN(C)C(=O)C[C@@H]1CC2(CCN(Cc3ccncc3)CC2)c2ccccc21 96052717 IBNUMYJLPPCZTB-LJQANCHMSA-N 363.505 3.581 0 40 FHAB COCC[C@@H]1CCOC12CCN(C(=O)c1csc3ccccc13)CC2 247897987 VFWHZGYTJOQRMF-OAHLLOKOSA-N 359.491 3.949 0 40 FHAB COC(C)(C)C(=O)N1CCC(c2ccnc(Nc3cccc(C)n3)c2)CC1 257251228 JPYRMBKGMLXGIP-UHFFFAOYSA-N 368.481 3.660 0 40 FHAB C[C@H]1CCCN(CCCNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)C1 260808156 GCDMCKIQVSPBQN-ZWKOTPCHSA-N 358.526 3.571 0 40 FHAB Cc1cc(NC(=O)c2cccc(Cn3cncn3)c2)cc(C(F)(F)F)c1 1130671516 MOKYRUPAMKEULF-UHFFFAOYSA-N 360.339 3.906 0 40 FHAB C[C@H](c1ccc(C(=O)N2CCC(c3ncc[nH]3)CC2)o1)N1CCCCC1 72424369 MQWCRXGWKFPKFA-OAHLLOKOSA-N 356.470 3.569 0 40 FHAB CC(C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 5673102 LTVVZKXZBGGGQQ-UHFFFAOYSA-N 372.490 3.847 0 40 FHAB OC1(c2ccccc2F)CCN(Cc2c[nH]nc2-c2cccs2)CC1 12147687 AJIFFJSPEJCBTJ-UHFFFAOYSA-N 357.454 3.761 0 40 FHAB C(/C=C/N1CCN(c2ccccc2)CC1)=C\N1CCN(c2ccccc2)CC1 17721325 MHXRSOOLNSFARD-FNCQTZNRSA-N 374.532 3.658 0 40 FHAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(Cc3ccc(F)cc3)C2)C1 19019743 CTOYQLVRUVAXLO-JOCHJYFZSA-N 368.452 3.601 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)c1nnc(NC(=O)[C@@]2(C)CCCO2)s1 19459908 GQUUGTHALAEFMO-MGPLVRAMSA-N 367.858 3.839 0 40 FHAB CC1(NC(=O)c2ccc([C@H]3CCCN(Cc4ccccn4)C3)nc2)CCC1 19705791 PQABGEBZENLLDO-SFHVURJKSA-N 364.493 3.529 0 40 FHAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 19886460 PIESZLBFCLJVEC-UHFFFAOYSA-N 372.368 3.719 0 40 FHAB COc1cc(NC(=O)c2cc3ccccc3o2)cc2sc(NN)nc12 226311233 PDXQWSXGLXYABY-UHFFFAOYSA-N 354.391 3.589 0 40 FHAB Cc1nc(C)c(C)c(OCC2CCN(Cc3sc(C)nc3C)CC2)n1 1888869773 OFXVYPKHWJSFTA-UHFFFAOYSA-N 360.527 3.766 0 40 FHAB O=C(Nc1cccc(Cl)c1)c1cccn(Cc2ccccc2F)c1=O 5270346 QWBYWXDBKGHLKG-UHFFFAOYSA-N 356.784 3.941 0 40 FHAB Cc1cc(C(=O)N(Cc2cccnc2)c2nc3ccccc3s2)no1 9206510 UGOGSPQTFBGPTD-UHFFFAOYSA-N 350.403 3.835 0 40 FHAB Cc1cccc(NC(=O)CCCn2nc(-c3ccco3)ccc2=O)c1C 11695841 QJCVJKYIUXRYKD-UHFFFAOYSA-N 351.406 3.539 0 40 FHAB CCc1nc2sc([C@@H](c3cccs3)N3CCC(C)CC3)c(O)n2n1 22853389 KIGWEUHUAKYVKU-CQSZACIVSA-N 362.524 3.942 0 40 FHAB CC[C@@H](C)c1ccc(S(=O)(=O)N[C@@H](CC(=O)O)c2ccccc2)cc1 940638 SHUXNVFVAPHKMG-KDOFPFPSSA-N 361.463 3.694 0 40 FHAB O=C(CSc1nc2ccccc2s1)Nc1cccc2c1OCCO2 2786198 XUQBBFBVBPENAU-UHFFFAOYSA-N 358.444 3.798 0 40 FHAB COc1cccc2c1O[C@@]1(C)C[C@H]2NC(=S)N1CCc1ccccc1 101183347 ZAIAQKNMRAEKCW-UZLBHIALSA-N 354.475 3.668 0 40 FHAB CCc1cccc(CC)c1NC(=O)CCn1c(=O)n(CC)c2ccccc21 10412906 ZVZKPEPDYRDPJF-UHFFFAOYSA-N 365.477 3.977 0 40 FHAB C[C@@H](OCC(F)(F)F)C(=O)N1CCC(c2nc3ccccc3o2)CC1 40093805 SRTPIEYMXIXWAD-LLVKDONJSA-N 356.344 3.501 0 40 FHAB CC[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccccc1OC(F)F 30371441 PORCKSLAARFLEL-OAHLLOKOSA-N 355.406 3.859 0 40 FHAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc(-n2ccnc2)cc1 30515144 PHCFWYWXOBXCFF-UHFFFAOYSA-N 353.397 3.682 0 40 FHAB CCOc1ncccc1CNC(=O)c1cc2cc(Cl)ccc2nc1C 31325137 PTBWQLIMJSOBLI-UHFFFAOYSA-N 355.825 3.920 0 40 FHAB CCc1ccc(CNC(=O)c2nnn(-c3ccc(C)c(F)c3)c2C)cc1 51317704 IMSJLMZWSYFTED-UHFFFAOYSA-N 352.413 3.516 0 40 FHAB C[C@H](Sc1ccc(C(=O)N2CCCC2)cn1)C(=O)c1ccc(F)cc1 32789457 UONWYIQMFDYVFA-ZDUSSCGKSA-N 358.438 3.820 0 40 FHAB FC(F)(F)CN1CCN(c2ncnc3sc4c(c23)CCCCC4)CC1 32857645 DHIQCDRCEQOYJV-UHFFFAOYSA-N 370.444 3.645 0 40 FHAB O=C(c1ccccc1)N1CCN(C(=O)c2cc3c(F)cccc3s2)CC1 8778458 LWKPYHLBLWPFCQ-UHFFFAOYSA-N 368.433 3.639 0 40 FHAB CC1(C)Cc2cccc(OCCNC(=O)CCC(=O)c3cccs3)c2O1 32817706 JZGUWMCWJUKQJI-UHFFFAOYSA-N 373.474 3.620 0 40 FHAB CCCC(=O)N1CCc2cc(-c3csc(NC(=O)C4CC4)n3)ccc21 1365711 HTTJNJXCZRBQSC-UHFFFAOYSA-N 355.463 3.848 0 40 FHAB CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(OC(F)F)c1C 79051725 UPQBFKDCPLBHKL-RZAQHMAJSA-N 374.453 3.798 0 40 FHAB O=C(Nc1cc(Br)c(O)c(Br)c1)c1ccco1 3075898 OQZZEZVDSQWQKQ-UHFFFAOYSA-N 360.989 3.763 0 40 FHAB O=C(COC(=O)c1ccccc1Cl)Nc1ccc(Br)cc1 3507281 OOGGACNCOIQPJQ-UHFFFAOYSA-N 368.614 3.898 0 40 FHAB CC(=O)Nc1ccc(NC(=O)C[C@@H](NC(C)=O)c2ccccc2Cl)cc1 32922319 VJYBGISONHFIJM-GOSISDBHSA-N 373.840 3.504 0 40 FHAB O=C(CCCNc1ncccn1)OCc1cc2ccccc2nc1Cl 32928471 FLCRGUMDMRQYRV-UHFFFAOYSA-N 356.813 3.614 0 40 FHAB COc1ccc(-c2noc(CCCC(=O)Nc3ccccc3OC)n2)cc1 4433235 PYWGIUBUPPHPFE-UHFFFAOYSA-N 367.405 3.715 0 40 FHAB CCS(=O)(=O)c1ccc(C(=O)Nc2ccc3sc(C)nc3c2)cc1 4585880 VKTRBACOVRDMEG-UHFFFAOYSA-N 360.460 3.651 0 40 FHAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1cccc(-c2nc3ccccc3o2)c1 4695672 YWCATHFJTOJZPZ-ATNYCFDYSA-N 356.381 3.806 0 40 FHAB C[C@H](NC(=O)[C@@]1(C)CC1(Br)Br)c1ccccc1 4714233 IDVKVUZYDPROIM-JOYOIKCWSA-N 361.077 3.760 0 40 FHAB Cc1ccc(OCCC(=O)Nc2nnc(Cc3ccccc3)s2)cc1 7062288 DGHLUIDHSMNPAE-UHFFFAOYSA-N 353.447 3.845 0 40 FHAB O=C(CCC(=O)N1CCCCCC1)Nc1nnc(C2CCCCC2)s1 17208425 OEQMEPFKHDJNSP-UHFFFAOYSA-N 364.515 3.707 0 40 FHAB CCCC[C@H]1[C@H]2C(=O)N(c3cccc(C)c3)C(=O)[C@@H]2ON1c1ccccc1 102733146 UKOUKZBOOUCPFU-XUVXKRRUSA-N 364.445 3.864 0 40 FHAB COc1ccccc1[C@H]1CC(=O)c2c(C)nn(-c3nc(C)cc(C)n3)c2C1 10157195 RRZHIQOZLQLJHL-OAHLLOKOSA-N 362.433 3.509 0 40 FHAB Cc1ccccc1[C@@H](C)NC(=O)CCCNC(=O)c1ccc(F)cc1F 22241349 UGCLVUDPWKGPJX-CQSZACIVSA-N 360.404 3.661 0 40 FHAB CCN(CC)Cc1ccc(CNC(=O)N(CC)Cc2ccncc2)cc1 54002423 UNBAXPSIRGKPDW-UHFFFAOYSA-N 354.498 3.655 0 40 FHAB CC[C@@H](C)C(=O)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 42036602 FTEVEPTXLREQKX-VXGBXAGGSA-N 354.376 3.500 0 40 FHAB O=C(c1ccc2c(=O)n3c(nc2c1)CCCCCC3)N1CCc2ccccc21 9584029 IQEDWWLIRWJPGN-UHFFFAOYSA-N 373.456 3.716 0 40 FHAB CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3ccc(C)cc3C)ccc21 12562017 YWZVVNPFIWPTQO-HNNXBMFYSA-N 351.450 3.652 0 40 FHAB COc1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)OCCO3)cc1Cl 12543469 FSPZWEHROWDQFV-NSHDSACASA-N 362.813 3.559 0 40 FHAB O=C(NCc1ccccc1C(F)(F)F)c1ccc(CN2CCCC2)o1 27984228 SIODCAIKQNSFJC-UHFFFAOYSA-N 352.356 3.824 0 40 FHAB CCOC(=O)CSc1nc2ccc(NC(=O)CC(C)C)cc2s1 20895244 KMYZSGDXIZOTCI-UHFFFAOYSA-N 352.481 3.936 0 40 FHAB Cc1ccc(Oc2ccc(OCC(=O)N[C@H](CC(C)C)C(=O)O)cc2)cc1 3207909 JBHPJQWYPKWYFT-LJQANCHMSA-N 371.433 3.782 0 40 FHAB COCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cn1 58796806 AARIVMIKPLEDTR-UHFFFAOYSA-N 370.449 3.566 0 40 FHAB CC[C@@H]1CCc2sc(C(=O)Nc3ccc(N4CCOCC4)nc3)cc2C1 26491065 YSJJWJSRBJTKSS-CQSZACIVSA-N 371.506 3.747 0 40 FHAB CN(C(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21)C1CCCCC1 57476754 SZBCEOQLBRAFMM-SFHVURJKSA-N 350.462 3.998 0 40 FHAB C[C@@H](NCC(=O)NCc1ccc2c(c1)OCO2)c1cccc2ccccc12 57856193 RFBOPACGGOMXKN-OAHLLOKOSA-N 362.429 3.536 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@H](C)CC[C@@H]1CCCO1 58178252 RTIPWCLUYSLOHI-KUHUBIRLSA-N 373.472 3.635 0 40 FHAB C[C@@H](NC(=O)Nc1cccc(CN2CCCC2=O)c1)c1ccc(F)c(F)c1 58244824 FRJQJKCAUXGNOR-CYBMUJFWSA-N 373.403 3.970 0 40 FHAB O[C@@H](CN1CCN(c2ccccc2)CC1)c1ccccc1C(F)(F)F 58391929 SZSIYCHMFQTILX-SFHVURJKSA-N 350.384 3.561 0 40 FHAB Cc1nc2oc3c(NC[C@H]4CCCO4)ncnc3c2c2c1COC(C)(C)C2 2239643 MLLIYHMCHJFJJJ-GFCCVEGCSA-N 368.437 3.522 0 40 FHAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1C 12758735 OTGFKDKANKTIPD-UHFFFAOYSA-N 358.463 3.633 0 40 FHAB COc1ccc2cc(C(=O)OCCOc3ccccc3F)c(C)nc2c1 10725823 BYEUFEANMWLPPZ-UHFFFAOYSA-N 355.365 3.927 0 40 FHAB COc1ccc(C)cc1CN(C)S(=O)(=O)c1ccc2ccccc2c1 12766663 CRQOCLFBQWEGDC-UHFFFAOYSA-N 355.459 3.978 0 40 FHAB Cc1noc2nc(C(C)C)cc(C(=O)Nc3nnc([C@@H]4CCCO4)s3)c12 36366307 URLXMRMGCQXUQQ-LBPRGKRZSA-N 373.438 3.610 0 40 FHAB Cc1[nH]c(=S)sc1CC(=O)NCc1coc(-c2cccs2)n1 10882426 VJASPGCTBWICJM-UHFFFAOYSA-N 351.478 3.690 0 40 FHAB CC[C@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3ccccc3)N2C1=O 2463444 YGJKUQALZSSWTA-ZBFHGGJFSA-N 358.463 3.677 0 40 FHAB COC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(C(C)C)cc1 2503528 IMKSEEFHZBOXFX-LRDDRELGSA-N 358.463 3.632 0 40 FHAB COc1ccccc1-n1cnn(CN2CCCc3ccc(F)cc32)c1=S 62581060 FGFIQBQUJVPLBR-UHFFFAOYSA-N 370.453 3.961 0 40 FHAB C[C@H](NC(=O)CCN1C(=O)COc2ccccc21)c1cccc2ccccc12 12996205 ITMFJTUJXKQALB-INIZCTEOSA-N 374.440 3.833 0 40 FHAB CN(CCOc1ccccc1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 18072925 JDGHWIBBWWYLRG-UHFFFAOYSA-N 361.445 3.901 0 40 FHAB CCOC(=O)COc1ccccc1/C=C1\Sc2ccccc2NC1=O 409099177 JXPRRFSZTGOXKG-BOPFTXTBSA-N 355.415 3.714 0 40 FHAB C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(N)=O 4329368 RHGMTCPVALPRDG-SNVBAGLBSA-N 350.875 3.680 0 40 FHAB CC(C)[C@@H](C(=O)Nc1ccc(F)cc1F)n1cnc2ccccc2c1=O 5265898 WKLPCEAGNMWSNM-KRWDZBQOSA-N 357.360 3.511 0 40 FHAB CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(Cn2cncn2)cc1 14093343 FNJPOSQEGVVILB-UHFFFAOYSA-N 356.429 3.752 0 40 FHAB c1ccc(-c2nc(NCc3nnc4ccccn34)nc3ccccc23)cc1 14185527 SCHYNAOPHGENBX-UHFFFAOYSA-N 352.401 3.952 0 40 FHAB O=C(Nc1ccc(I)cc1)c1ccc(F)c(F)c1 22562915 NPSVBNSLAPBSBM-UHFFFAOYSA-N 359.113 3.822 0 40 FHAB Cn1cc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)ccc1=O 65655940 DDGGNEUDHAVJLP-UHFFFAOYSA-N 367.019 3.646 0 40 FHAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccccc1-c1ccccc1 6552065 JGMAZRAKVGAZRT-UHFFFAOYSA-N 355.401 3.646 0 40 FHAB Cc1oc2c(C)c3oc(=O)c(CC(=O)N4CCCC4)c(C)c3cc2c1C 4744006 XRLJNMDRWGEMGD-UHFFFAOYSA-N 353.418 3.938 0 40 FHAB Cc1cccc(NC(=O)NCCCn2nc(C)c(Br)c2C)c1 27928220 RDUAGOOOCDHYQK-UHFFFAOYSA-N 365.275 3.783 0 40 FHAB COc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccco3)o2)c(OC)c1 6932683 CIIOBAVHQQQXCG-JTQLQIEISA-N 360.391 3.710 0 40 FHAB CC(=O)Nc1ccc(SCC(=O)Nc2ccnn2C2CCCC2)cc1 6919483 CDFOPTLRZLPCME-UHFFFAOYSA-N 358.467 3.687 0 40 FHAB O=c1[nH]c(CSc2nnc(-c3ccccc3)o2)nc2ccc(Cl)cc12 7094629 ZUQWMMOIHSSKMO-UHFFFAOYSA-N 370.821 3.919 0 40 FHAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-n2ccnc2)cc1 7050169 DKKWUQZUXMLNGV-ZDUSSCGKSA-N 361.854 3.565 0 40 FHAB Cc1ccc(C)c(NC(=O)c2nn(-c3cccc(Cl)c3)ccc2=O)c1 9205721 RTYMDNIXUIRTHH-UHFFFAOYSA-N 353.809 3.755 0 40 FHAB Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2F)n1C 7236499 GVHGMPGSPYCRCZ-LLVKDONJSA-N 360.414 3.642 0 40 FHAB CS(=O)(=O)N(Cc1ccc(Br)cc1)c1ccc(F)cc1 9426019 PHJZIOZBEVJZQK-UHFFFAOYSA-N 358.232 3.554 0 40 FHAB CSc1cccc(NC(=O)c2ccc3c(c2)NC(=O)[C@H]2CCCN32)c1 9322953 YWZYSTRTFGXFEM-QGZVFWFLSA-N 353.447 3.582 0 40 FHAB COc1cc(Cl)c(S(=O)(=O)NCC2=CCCCC2)cc1Cl 19942794 BIMYHVYFLKSMQY-UHFFFAOYSA-N 350.267 3.781 0 40 FHAB CCN(C(=O)c1oc2c(c1C)C(=O)CCC2)[C@H](COC)Cc1ccccc1 72309241 JHTHNXSTARCIMK-KRWDZBQOSA-N 369.461 3.827 0 40 FHAB C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(OCC2CC2)cc1 97230138 YTZDYEYLMRZZAS-OAHLLOKOSA-N 374.481 3.557 0 40 FHAB O=C(N[C@H]1CCN(C2CCCCCC2)C1)c1csc(-c2ccccn2)n1 72230570 BKZABEAXGDSTJE-HNNXBMFYSA-N 370.522 3.732 0 40 FHAB O=C(CN1CCc2ccccc21)Nc1cc2c(cc1Cl)OCCCO2 84582043 YBJDVAFFXVBJKH-UHFFFAOYSA-N 358.825 3.503 0 40 FHAB C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)oc2ccccc23)CC(C)(C)O1 95377516 OPBPJACMAXGOPZ-ZDUSSCGKSA-N 366.417 3.550 0 40 FHAB CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1ccc(-n2cccn2)cc1 95463168 FVFQEIWXNQPWLQ-KUHUBIRLSA-N 353.397 3.517 0 40 FHAB COc1ccc2cc(CNC(=O)c3ccc(-n4cccn4)cc3)ccc2c1 9940581 OAQZSTRCZSNGQH-UHFFFAOYSA-N 357.413 3.964 0 40 FHAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCc2sccc2C1 22596868 FWGIHUBLJDQOJL-SFHVURJKSA-N 372.490 3.584 0 40 FHAB O=C(Nc1nc(-c2ccccc2)ns1)N[C@H](c1nccs1)C1CC1 75496956 UOJAMNDQVYYVLF-LBPRGKRZSA-N 357.464 3.934 0 40 FHAB CN(C)[C@H](CNC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 32593855 KQUOGINHMYMFJX-HXUWFJFHSA-N 372.484 3.921 0 40 FHAB C[C@@H](Cn1ncc2ccccc2c1=O)NCc1ccsc1C(F)(F)F 529541119 FLVAZOJGGJEGIK-NSHDSACASA-N 367.396 3.655 0 40 FHAB CCCC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)o1 39750011 YUFJTQYSNPZQDV-UHFFFAOYSA-N 350.378 3.728 0 40 FHAB CC(C)c1ccc(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1 219707342 MMHNKVAESJVQQM-UHFFFAOYSA-N 374.506 3.849 0 40 FHAB O=C(c1cc2ccccc2o1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 38729192 RASDXJZGVJAICP-OALUTQOASA-N 374.440 3.521 0 40 FHAB Fc1ccccc1Oc1nccnc1C1CCN(C2CCOCC2)CC1 72362865 LMXSRDWSKNTZHQ-UHFFFAOYSA-N 357.429 3.766 0 40 FHAB O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NCc1cccc(Br)c1 40721483 VGIPIUCDDYCTJQ-QGZVFWFLSA-N 373.250 3.716 0 40 FHAB O=C(c1ccc2nc(O)[nH]c2c1)N(Cc1cccc(F)c1)C1CCCC1 524686066 VPFRGUMTQLNUIN-UHFFFAOYSA-N 353.397 3.993 0 40 FHAB Cc1ccc(OCC(=O)Nc2cc(N)ccc2N2CCCC[C@H]2C)cc1 226253261 WFTHKCMOVASYCV-MRXNPFEDSA-N 353.466 3.974 0 40 FHAB C[C@H]1CCCN(CCCNC(=S)Nc2cccc(Br)c2)C1 225735601 LUQZEPJJLKQWLS-ZDUSSCGKSA-N 370.360 3.858 0 40 FHAB O=C(Nc1cccnc1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 40073978 FMSXTXMSBNCMGB-HNNXBMFYSA-N 364.232 3.632 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 224184073 GVSFAXRKOPSRTQ-NRFANRHFSA-N 366.505 3.871 0 40 FHAB CCOc1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)cc1Cl 225738074 ZFKSVZQHIFEJRB-UHFFFAOYSA-N 355.825 3.854 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 224704048 QPUHTLLFPARTBL-LJQANCHMSA-N 366.505 3.789 0 40 FHAB CC1=NN(c2ccc(C(=O)Oc3ccc(-c4noc(C)n4)cc3)cc2)CC1 48826016 KMEFZWLTENTZDM-UHFFFAOYSA-N 362.389 3.850 0 40 FHAB Cc1ccc2c(CN3CCN(Cc4ccccc4)CC3)cc(=O)oc2c1C 20412434 PZYPIHZOVTVBPU-UHFFFAOYSA-N 362.473 3.728 0 40 FHAB biogenic COc1ccc(-c2cc(N)n(Cc3ccccc3)n2)c(Br)c1 199750222 XWZQATGIUCPLPP-UHFFFAOYSA-N 358.239 3.952 0 40 FHAB O=C1CC[C@@]2(CCCN(Cc3ccoc3)CC2)N1Cc1cccc(F)c1 96047548 PTHDSXXLXSHQPK-OAQYLSRUSA-N 356.441 3.966 0 40 FHAB Cc1cccc(COC[C@@H]2C[C@@H]3OCCN(Cc4ccc(C)s4)[C@@H]3C2)n1 248127790 XODLUZWKOYXKFN-WMQCIHAUSA-N 372.534 3.956 0 40 FHAB CN(Cc1cccc(Br)c1)S(=O)(=O)c1cccc(Cl)c1 14313540 GWXFUGHXRRRMOI-UHFFFAOYSA-N 374.687 3.923 0 40 FHAB CC[C@H]1CCCCN1CCCNC(=O)[C@H](C)Sc1ccc(OC)cc1 260449426 SRPCWYIPCBTALJ-IRXDYDNUSA-N 364.555 3.947 0 40 FHAB FC(F)(F)c1nnc(CNC2[C@H]3CC[C@H]2Cc2ccccc2C3)s1 660548223 BMNXQNRBXYNMBM-STQMWFEESA-N 353.413 3.840 0 40 FHAB O=C(c1nc(-c2cnccn2)no1)N(C1CCCCC1)C1CCCCC1 44121464 XTPZKFZFVCYQGW-UHFFFAOYSA-N 355.442 3.634 0 40 FHAB C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccncc1 44356082 ZCNFSJKVSJWDGT-CQSZACIVSA-N 373.478 3.681 0 40 FHAB COc1ccccc1-c1nc(C(=O)N(C)C2CCN(C(C)C)CC2)cs1 58264469 PBKDBUGUDXRHLJ-UHFFFAOYSA-N 373.522 3.764 0 40 FHAB Clc1cc(I)sc1I 1690170128 FGFUZVBBZOJEJG-UHFFFAOYSA-N 370.380 3.611 0 40 FHAB CC(C)N(C(=O)N1CCC2(CC1)CC(=O)c1cc(F)ccc1O2)C(C)C 12113652 YNUGFHYXFMMSCH-UHFFFAOYSA-N 362.445 3.864 0 40 FHAB Cc1cc(C(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)sc1C 12669393 ASFQHEALULSGPX-UHFFFAOYSA-N 368.462 3.830 0 40 FHAB CN1C(=O)[C@@]2(Nc3ccccc3-c3nc4ccccc4n32)c2ccccc21 13127201 SFSPAIAVOJLFOM-JOCHJYFZSA-N 352.397 3.806 0 40 FHAB CN(CCCNC(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 16188521 UQICARWALLIMKY-UHFFFAOYSA-N 365.260 3.886 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)CCc1nc(-c2ccc(F)cc2)no1 17156408 QFDLDRHJVXEJAQ-OAHLLOKOSA-N 367.424 3.946 0 40 FHAB FC(F)(F)C12C3(C(F)(F)F)[C@@]45C=C[C@@]1(CC[C@]21C=C[C@@]3(CC4)O1)O5 17191299 KDYYIGLVOYNXIM-CPWXTWDFSA-N 350.258 3.827 0 40 FHAB CN(CCCNC(=O)c1c[nH]c(=S)n1-c1ccccc1)c1ccccc1 17840649 UYAXRXGAIYTGAO-UHFFFAOYSA-N 366.490 3.791 0 40 FHAB CC(=O)N1Cc2ccccc2O[C@H]([C@@H]2CCCN(C[C@H]3CC=CCC3)C2)C1 19019652 QMGLMUCBHRPOGI-MZKRTTBSSA-N 368.521 3.864 0 40 FHAB CO[C@@H](COc1ccc2c(c1)OC1(CCCCC1)CC2=O)[C@@H]1CCOC1 663962125 KVNPYNFMWHLFTO-QRWLVFNGSA-N 360.450 3.785 0 40 FHAB CC(C)c1cc(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)on1 684791690 YGZFGOXLCITGPP-BLLLJJGKSA-N 351.809 3.946 0 40 FHAB O=C(NCc1ccc(Cl)cc1)N1CCC(c2nnc(C3CC3)o2)CC1 35597720 RIULSVAVAGYOHB-UHFFFAOYSA-N 360.845 3.690 0 40 FHAB COc1cc(NC(=O)c2cc(C)nc3ccccc23)cc(OC)c1OC 2653931 FNTCKTYCSMRLRD-UHFFFAOYSA-N 352.390 3.821 0 40 FHAB COc1ccc(C(=O)Nc2ccc(I)cc2)cc1F 18114785 USHWAZUTPFALGC-UHFFFAOYSA-N 371.149 3.691 0 40 FHAB COc1ccc(CC(=O)NCCSc2c[nH]c3ccccc23)cc1OC 2721030 DPMJNABLVDEGPQ-UHFFFAOYSA-N 370.474 3.636 0 40 FHAB biogenic O=C(c1ccc(F)c(F)c1)N1CCN=C1SCc1ccccc1F 4120536 WEYKJFZCOFGKCM-UHFFFAOYSA-N 350.365 3.849 0 40 FHAB CSc1ccccc1C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 10460082 HTZMATRHBSTVDC-UHFFFAOYSA-N 368.502 3.965 0 40 FHAB Cc1cc([C@H](C)NC(=O)[C@H](NC(=O)c2ccccc2)C(C)C)c(C)s1 40074294 VBWHQMYCXOOSCM-KBXCAEBGSA-N 358.507 3.997 0 40 FHAB CC[C@@H](Sc1nnc(-c2cccnc2)n1C)C(=O)Nc1ccccc1F 20171297 CJCZCKOOLXOINO-OAHLLOKOSA-N 371.441 3.526 0 40 FHAB C[C@H](NC(=O)c1cccs1)C(=O)N[C@@H](c1cccs1)C1CCCC1 32397436 FNZMSJHZYWYSQV-BLLLJJGKSA-N 362.520 3.976 0 40 FHAB CC[C@]1(c2ccccc2)NC(=O)N(Cc2ccc(F)c3cccnc23)C1=O 46397984 YYPQTXSPYNOGLB-OAQYLSRUSA-N 363.392 3.731 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)CSCc1ccccc1)CC2 2641322 HKANEYWRAGFIGA-UHFFFAOYSA-N 357.475 3.522 0 40 FHAB Cc1ccccc1NC(=O)CSc1nc2sc(C)c(C)c2c(=O)[nH]1 798451 JXPJGBRNKHLITE-UHFFFAOYSA-N 359.476 3.641 0 40 FHAB CC(C)(C)NC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(F)cc1 905301 KRNSPTZXKBTGMR-UHFFFAOYSA-N 374.441 3.673 0 40 FHAB Cc1cc2cc3c(cc2nc1SCC(=O)NCc1ccccc1)OCO3 929882 RGPFFBMTXIWMPK-UHFFFAOYSA-N 366.442 3.680 0 40 FHAB Cc1cc(C(=O)N2CCCC[C@H]2C(N)=O)sc1-c1cccc(Cl)c1 102466820 GJCYBNGAOIXLHL-AWEZNQCLSA-N 362.882 3.857 0 40 FHAB O=[S@@](CCOC1CCCCCC1)Cc1csc(-c2ncccn2)n1 77651956 NWOIGALYSXWSJF-XMMPIXPASA-N 365.524 3.588 0 40 FHAB CC(C)n1nc(O)c2c1N=C(O)CS[C@H]2c1c[nH]nc1-c1ccccc1 79484379 CJCIAXZZJSRDAY-INIZCTEOSA-N 369.450 3.984 0 40 FHAB CC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccs3)o2)c1 2658729 WOIUCZFYNWTROW-UHFFFAOYSA-N 359.432 3.732 0 40 FHAB COc1ccc2oc(C(=O)OCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c(C)c2c1 4319215 BEFBYNRDFVVVTI-IIYDPXPESA-N 373.449 3.848 0 40 FHAB COc1ccc2c(c1)CCCN2C(=O)c1ccccc1OC[C@@H]1CCCO1 21975841 FVCQXUHQDVAWQI-SFHVURJKSA-N 367.445 3.846 0 40 FHAB CCOc1cc(CNCc2cccnc2)cc(Br)c1OCC 6870225 NCOLZEHTMJBNHK-UHFFFAOYSA-N 365.271 3.931 0 40 FHAB O=c1[nH]nc(SCc2c(F)cccc2Cl)n1CCc1ccccc1 7346654 GXCBFSDRYXHCND-UHFFFAOYSA-N 363.845 3.899 0 40 FHAB CNC(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 7735398 QVJGBNNIWBZDCE-UHFFFAOYSA-N 350.875 3.552 0 40 FHAB c1ccc(-n2ncc3c(SCc4cn5ccccc5n4)ncnc32)cc1 7737396 ZKBRQHWLSICEIG-UHFFFAOYSA-N 358.430 3.756 0 40 FHAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1 7962340 SUEKKZPMUUOTHG-UHFFFAOYSA-N 360.816 3.644 0 40 FHAB COc1ccc(-c2nc(CC(=O)NCCc3ccccc3F)cs2)cc1 7986925 WHSZHIUCJNULOD-UHFFFAOYSA-N 370.449 3.859 0 40 FHAB O=C(NCc1cccc(C(F)(F)F)c1)c1nc(-c2cccs2)no1 2733201 NIXUZEKDSCIIPM-UHFFFAOYSA-N 353.325 3.747 0 40 FHAB Cc1nc2ccccc2n1C[C@H](O)Cn1c(C(F)(F)F)nc2ccccc21 644438 MMOUCXVOYKZSPD-ZDUSSCGKSA-N 374.366 3.774 0 40 FHAB COc1ccc(/C=C\C(=O)OC/C=C/c2ccc3c(c2)OCO3)cc1OC 8615842 GWCFZONHXDRLLR-INWLDIPCSA-N 368.385 3.702 0 40 FHAB CCCC[C@@H](c1nnnn1C(C)C)N1CCN(c2cccc(C)c2C)CC1 57670176 OQEDRALLTOOZGN-FQEVSTJZSA-N 370.545 3.924 0 40 FHAB CC(=O)N[C@H](CC(=O)N1CCCc2c(F)cc(F)cc21)c1cccs1 41866514 LJLAVJUSTXNTEP-OAHLLOKOSA-N 364.417 3.573 0 40 FHAB Cc1ccc(N2CC(=O)N(c3ccc(C)c(Cl)c3)CC2=O)cc1Cl 974090 IEAGKXXQWGQKMC-UHFFFAOYSA-N 363.244 3.990 0 40 FHAB O=C(N[C@H]1CCOc2ccccc21)c1cc(Cl)c2c(c1)OCCCO2 9337010 HMHGQMYKBVNZRU-HNNXBMFYSA-N 359.809 3.755 0 40 FHAB COc1cc(OC)c(N[C@@H](C)C(=O)Nc2ccnn2C(C)C)cc1Cl 23417544 HAGITTLAUCYAOX-NSHDSACASA-N 366.849 3.574 0 40 FHAB CC(=O)N1N=C(c2c(C)nc3ccccn23)O[C@@H]1c1ccccc1Cl 1016630 SDHAUMLYUUBUHZ-GOSISDBHSA-N 354.797 3.535 0 40 FHAB COCCCN1COc2ccc3cc(-c4ccccc4)c(=O)oc3c2C1 12442403 KZJZTFYGAUCPOU-UHFFFAOYSA-N 351.402 3.648 0 40 FHAB biogenic NC(=O)[C@H](Sc1ncnc2ccc(Br)cc12)c1ccccc1 24836090 HOFNVMAFBXCDEL-CQSZACIVSA-N 374.263 3.711 0 40 FHAB c1ccc(SCc2cc(N3CCOCC3)nc(-c3ccncc3)n2)cc1 1383078 VOOJQHPJRVGTLF-UHFFFAOYSA-N 364.474 3.668 0 40 FHAB Cc1nc(-c2ccc(NC(=O)c3cc4ccccc4oc3=O)c(C)c2)no1 1430008 LXQABLGYUCRKPA-UHFFFAOYSA-N 361.357 3.712 0 40 FHAB O=C([C@H]1CC=CCC1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 22283532 VVKPXNURAGQLAS-SFHVURJKSA-N 373.456 3.808 0 40 FHAB Cc1nc(N2CCC[C@@H](C(=O)O)C2)c2cc(-c3ccccc3)sc2n1 20318877 XXEKFMPZMLMJMJ-CQSZACIVSA-N 353.447 3.968 0 40 FHAB O=C(COc1ccc(Cl)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12577151 WCYGCVZCJJEREN-KRWDZBQOSA-N 355.825 3.959 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)Cn1nc(-c2ccccc2)ccc1=O 51474267 JLGTVHKTWBCHPT-UHFFFAOYSA-N 353.809 3.511 0 40 FHAB CCCN(C(=O)c1ccc([S@@](C)=O)cc1)[C@@H]1CCc2ccccc2C1 56351793 GWDWTDQWYQCLDN-CLOONOSVSA-N 355.503 3.834 0 40 FHAB CCCOc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)cc1OC 25720734 ZMVWJGHZIBZFMW-OAHLLOKOSA-N 362.495 3.578 0 40 FHAB Cc1csc(NC(=O)C2CCN(C(=O)NC3CCCCCC3)CC2)n1 56782121 VCJKZOBIVKKNGO-UHFFFAOYSA-N 364.515 3.534 0 40 FHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCCCOCC1CC1 58406062 FTQIHVZSVXMGMS-UHFFFAOYSA-N 352.500 3.588 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)N(C)c2nccs2)c(Br)c1 44504123 MRRXRABKRFJJIN-SNVBAGLBSA-N 355.257 3.644 0 40 FHAB Cc1ccc(C)c(Nc2nc(-c3ccc(S(N)(=O)=O)cc3)cs2)c1 58158463 PIUOPQIDPKKOOA-UHFFFAOYSA-N 359.476 3.818 0 40 FHAB O=C(Nc1cccc2cccnc12)N(Cc1cccnc1)C[C@H]1CCCO1 48056164 WMWPJOOMTOXAPN-GOSISDBHSA-N 362.433 3.843 0 40 FHAB CC[C@@H](c1nnnn1C(C)(C)CC)N1CCN(c2cc(C)ccc2C)CC1 57669825 AUYNJSFTFXCDPD-SFHVURJKSA-N 370.545 3.708 0 40 FHAB CCc1nc(COC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cs1 22977307 XXFNDDFHYQWXEE-UHFFFAOYSA-N 371.437 3.876 0 40 FHAB Cn1c([C@@H](NC(=O)Nc2cccnc2)c2ccccc2)nc2ccccc21 58411351 PNDCUYROJCPAKO-IBGZPJMESA-N 357.417 3.879 0 40 FHAB O=C(NC[C@H]1COc2ccccc2O1)C1c2ccccc2-c2ccccc21 3340754 XZTYWUCHUQFIGW-HNNXBMFYSA-N 357.409 3.755 0 40 FHAB CCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccc(F)cc1 22540351 NSLHJLBZLRSLKI-NSHDSACASA-N 357.834 3.917 0 40 FHAB CC(C)(C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc2c(c1)OCCO2 58706162 FPIMJWINWDXRQR-DLBZAZTESA-N 355.409 3.547 0 40 FHAB CCc1cc(C(=O)NC2CC2)c2c(C3CC3)nn(Cc3ccccc3)c2n1 36621609 AKSFWBSWQFXVQP-UHFFFAOYSA-N 360.461 3.812 0 40 FHAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCc3ccco3)c12 36614005 OERAMTDWEUQJPN-UHFFFAOYSA-N 351.337 3.860 0 40 FHAB O=C(Nc1ccccc1Cl)c1cc2c(=O)n3ccccc3nc2s1 2466881 BQNJHGJGGLTINR-UHFFFAOYSA-N 355.806 3.815 0 40 FHAB Cc1ccc(Cn2cccc/c2=N\C(=O)c2cc(Br)c[nH]2)cc1 29386720 YWMDWGWFTJFTPE-HEHNFIMWSA-N 370.250 3.677 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@H]2CCSc3c(F)cccc32)cc1C 12736242 QDHZLNVLUDJMMW-INIZCTEOSA-N 351.468 3.958 0 40 FHAB COc1ccc(CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OC 3560988 NCDNDMDVPJLJJQ-UHFFFAOYSA-N 355.312 3.784 0 40 FHAB C[C@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccccc1Cl 12983620 ZCAHGNIQCJTFKM-ZDUSSCGKSA-N 369.852 3.777 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(OCc2cscn2)cc1 8754991 MAQSHLMUOJBDMK-UHFFFAOYSA-N 354.387 3.703 0 40 FHAB CCc1nnc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)s1 8719050 OAJNIQCRAOGINK-UHFFFAOYSA-N 362.842 3.980 0 40 FHAB COc1ccc(-n2ccnc2S[C@@H](C)C(=O)NCc2cccs2)cc1 18516423 KMOWXBWIICNSCI-ZDUSSCGKSA-N 373.503 3.739 0 40 FHAB Cc1ccc2c(COC(=O)c3ccc(N(C)C)cc3)cc(=O)oc2c1C 6044659 NPWNGNWWAHSGPX-UHFFFAOYSA-N 351.402 3.833 0 40 FHAB O=C(CCn1ccc2ccc(F)cc21)N1CCN(c2ccccc2F)CC1 13727441 HTPHBZRMDHEWMK-UHFFFAOYSA-N 369.415 3.658 0 40 FHAB CCOC(=O)c1c(NC(=O)[C@H]2COc3ccccc3C2)sc(C)c1C 8843830 CVWLKUPYKKUNQI-CQSZACIVSA-N 359.447 3.731 0 40 FHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c(F)cccc1Cl 6219952 LLXZWYIWUXYMTB-UHFFFAOYSA-N 367.760 3.535 0 40 FHAB O=C(NN1CCOCC1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 6283468 RCRZYDDCJCDHST-UHFFFAOYSA-N 367.836 3.532 0 40 FHAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(F)c3)C2=O)c1 4470697 HSHVDNRDTMLMER-MHWRWJLKSA-N 370.405 3.809 0 40 FHAB C[C@@H](NC(=O)c1cn(Cc2ccccc2)nn1)c1ccc2c(c1)CCCC2 14198929 CYBIDZNPLBOMJN-MRXNPFEDSA-N 360.461 3.696 0 40 FHAB O=C(CN1CCCCC1)Nc1oc2ccccc2c(=O)c1-c1ccccc1 5452070 XYPUCCOKLHQMGV-UHFFFAOYSA-N 362.429 3.884 0 40 FHAB COc1ccccc1S(=O)(=O)Nc1cc(-c2cc(C)c(C)cc2C)[nH]n1 6549710 QSWSXGVSUWLHHK-UHFFFAOYSA-N 371.462 3.811 0 40 FHAB COc1ccc(-c2cnc(NCc3ccc(OC)cc3OC)n2C)cc1 4678415 RSGOJJUYFCSUJO-UHFFFAOYSA-N 353.422 3.725 0 40 FHAB COc1ccc(CCC(=O)NCc2cccc(C(F)(F)F)c2)cc1OC 14790007 ZQQDKGRYTVOEJI-UHFFFAOYSA-N 367.367 3.972 0 40 FHAB CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@H]1c1cccc(F)c1F 6820068 JATURJYBOYWPHJ-AWEZNQCLSA-N 351.393 3.822 0 40 FHAB COc1ccc(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)c(OC)c1 6811323 PGMMOLSJKGMQAH-UHFFFAOYSA-N 353.374 3.679 0 40 FHAB Cc1ccc(OCC(=O)NCCCn2ncc3c(Cl)cccc32)cc1 71196069 LHCRMAXIKJEKJL-UHFFFAOYSA-N 357.841 3.583 0 40 FHAB Cc1ccc(C)c(-n2cnnc2SCC(=O)N(C)Cc2ccccc2)c1 5894186 VJGHQXPYXUFHGM-UHFFFAOYSA-N 366.490 3.635 0 40 FHAB C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccccn1 7058991 LLZYPGCOLQRWHU-VIFPVBQESA-N 364.776 3.793 0 40 FHAB COC(=O)c1ccccc1Nc1c(-c2ccc(O)cc2)nc2ncccn12 15414270 UTFSFXUMLBUORI-UHFFFAOYSA-N 360.373 3.632 0 40 FHAB Cc1cccc(N2CCN(C(=O)[C@H]3COc4ccc(Cl)cc4C3)CC2)c1 16297608 HRKWTSDWZLSBIK-QGZVFWFLSA-N 370.880 3.548 0 40 FHAB COc1ccc(CC(=O)Nc2ccc(Cl)cc2F)c(OC)c1OC 7950407 CNFCHFCFICSFHO-UHFFFAOYSA-N 353.777 3.686 0 40 FHAB CSc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(F)cc2F)c(C)n1 8095075 VIEOLNABRBRAOP-GFCCVEGCSA-N 365.449 3.904 0 40 FHAB Cc1ccc(CNC(=O)c2cccnc2SCc2cc(C)on2)cc1 8330667 DQYFRDDJGJCNBQ-UHFFFAOYSA-N 353.447 3.909 0 40 FHAB Cc1ccc(NC(=O)CN(C)C(=O)CCC(=O)c2ccc(Cl)cc2)cc1 8375625 INIJXHREFDHYHI-UHFFFAOYSA-N 372.852 3.708 0 40 FHAB Cc1ccc(-c2noc(Cn3cc(C(F)(F)F)cc(Cl)c3=O)n2)cc1 22707963 GHAGPYUBPFYYQR-UHFFFAOYSA-N 369.730 3.927 0 40 FHAB O=C(OCc1nnc(C2CC2)o1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 84502304 QCMZTRCWHNZVCW-VXGBXAGGSA-N 352.312 3.813 0 40 FHAB CN(C)Cc1ccc(CNC(=O)c2cccn2Cc2ccccc2)cc1F 95447566 QBFFUOIQNIOXJB-UHFFFAOYSA-N 365.452 3.667 0 40 FHAB FC(F)(F)c1cc(N2CCO[C@H]3CCCC[C@@H]32)nc(-c2ccncc2)n1 95963897 OGOGESKGGWQKJE-KBPBESRZSA-N 364.371 3.705 0 40 FHAB O=c1ccnc2sc(N3CCCCC[C@H]3/C=C/c3ccccc3)nn12 95945014 UPBQULOENFJVBV-OFAQMXQXSA-N 352.463 3.613 0 40 FHAB CCCc1csc(NC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)n1 95982038 PFXMSIDEKFKUSV-QMMMGPOBSA-N 358.389 3.581 0 40 FHAB CNC(=O)c1ccc(NC(=O)NCC2(c3ccccc3)CC2)c(Cl)c1 89391785 IZWIKLFBJICZRL-UHFFFAOYSA-N 357.841 3.553 0 40 FHAB COc1cccc(CN(C)C(=O)Nc2cc(-c3n[nH]c(C)n3)ccc2C)c1 75105204 QKTKHMAFCRYGMQ-UHFFFAOYSA-N 365.437 3.761 0 40 FHAB CCS(=O)(=O)Nc1cccc(C(=O)Nc2cc(Cl)ccc2C)c1 29605834 FFDAEHDTKHTHKL-UHFFFAOYSA-N 352.843 3.662 0 40 FHAB Cc1ccccc1OCn1ccc(C(=O)Nc2cc(-c3ccccc3)n[nH]2)n1 28243126 PPKIHXIULRMEND-UHFFFAOYSA-N 373.416 3.870 0 40 FHAB CCCCN(C)C(=O)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C 60019954 JTMRUVBJZRAFEA-OAQYLSRUSA-N 354.494 3.782 0 40 FHAB NNc1nc2ccccc2c(=O)n1-c1ccccc1Sc1ccccc1 408712606 AVGKDAYIBLVSDB-UHFFFAOYSA-N 360.442 3.823 0 40 FHAB COC(=O)c1cc(-c2cccc(OC(F)F)c2)nc2c(Cl)c(C)nn12 36615774 HLRCTQJGYNEJBV-UHFFFAOYSA-N 367.739 3.746 0 40 FHAB CCc1ccc(N2C(=O)/C(=C/c3ccc(OC)cc3)C(O)=NC2=S)cc1 33760942 IZTJLIZGVLACHD-SFQUDFHCSA-N 366.442 3.929 0 40 FHAB CCc1nnc(S/C(=C\c2ccc(Br)s2)C(=O)O)o1 214862200 OJKPZOZOSKZPKN-ALCCZGGFSA-N 361.242 3.674 0 40 FHAB O=C(NCCCCN1CCCCC1)Nc1ccc(Br)cc1 71256254 GIICWEAVNMPFGW-UHFFFAOYSA-N 354.292 3.837 0 40 FHAB COC(=O)c1ccccc1NC(=O)N1CC=C(c2ccc(O)cc2)CC1 31660505 KKANGUNHRLPTRR-UHFFFAOYSA-N 352.390 3.500 0 40 FHAB COc1ccc(C)cc1NC(=O)c1nc2ccccc2nc1N1CCCC1 32642802 WKPYHLPJBQLXOQ-UHFFFAOYSA-N 362.433 3.799 0 40 FHAB COc1ccccc1-c1nc(C2CCN(c3cc(C)nc(C)n3)CC2)no1 189565210 CGQUSQBZVWCYFZ-UHFFFAOYSA-N 365.437 3.536 0 40 FHAB CC(C)[C@]1(CO)CCCN(CCc2nc(-c3cccc(Cl)c3)no2)C1 563508511 FCMHPGCCOULOFC-LJQANCHMSA-N 363.889 3.663 0 40 FHAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSc1ccccc1 225453647 NCXHHILYEFLFMY-KRWDZBQOSA-N 370.518 3.721 0 40 FHAB CC[C@H](NC(=O)Cc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 225136030 GYRROTMJNCDTLT-KRWDZBQOSA-N 365.882 3.554 0 40 FHAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 225102315 GZXUOCKVIOLDEB-NRFANRHFSA-N 366.505 3.871 0 40 FHAB Cc1cccc(NC(=S)NC2CCN(C3CCOCC3)CC2)c1Cl 225212951 LOMKDHUKJSYTFZ-UHFFFAOYSA-N 367.946 3.578 0 40 FHAB COc1cccc(CNC(=O)c2cc3ccc(Br)cc3[nH]2)c1 46567937 VKDKPBDRNCRYIT-UHFFFAOYSA-N 359.223 3.869 0 40 FHAB O=C(c1ccco1)N1CCS/C1=C/c1csc(-c2cccnc2)n1 225262450 BHJQWDVDYQZTSZ-OQLLNIDSSA-N 355.444 3.986 0 40 FHAB S=C1N[C@H](c2ccccn2)[C@H](c2ccco2)N1c1ccc2c(c1)OCO2 223999149 QPNZKQPNNUZBMB-MSOLQXFVSA-N 365.414 3.580 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C 223097112 SJGAMVQIHMBRBX-OAQYLSRUSA-N 366.505 3.708 0 40 FHAB O=C(COc1cccc2c1CCCC2)NCCCN1CCc2ccccc21 225158320 TVPDKKZIYZXQTI-UHFFFAOYSA-N 364.489 3.513 0 40 FHAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)n1C 223851102 VLXSYWIGVXDCJK-OALUTQOASA-N 364.474 3.611 0 40 FHAB COc1cccc(-c2noc(CCC(=O)Nc3c(C)cccc3C)n2)c1 225822817 UNFJHVGIEJEHLN-UHFFFAOYSA-N 351.406 3.933 0 40 FHAB COc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCCC2)cc1OC 225944948 JSBDZTRUGDSIFT-UHFFFAOYSA-N 369.417 3.883 0 40 FHAB Cc1cccc(NC(=S)N2CCN(Cc3ccccn3)CC2)c1Cl 225225091 ZLJJLYDTZSCSJC-UHFFFAOYSA-N 360.914 3.558 0 40 FHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1Cc1ccco1 222729751 SDLGGBVEXLMYLE-RBUKOAKNSA-N 366.490 3.744 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1ccc2c(c1)OCO2 96221396 NEBUCHISDGWGPI-KRWDZBQOSA-N 364.401 3.713 0 40 FHAB biogenic CCOC(C(=O)O[C@H]1CCCC[C@H]1O)(c1ccccc1)c1ccccc1 96509997 ULEOWLNJKYHOSZ-UXHICEINSA-N 354.446 3.813 0 40 FHAB O=C(c1cnccn1)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257282224 OSYGZXAPIFNTPV-QGZVFWFLSA-N 368.824 3.686 0 40 FHAB Cc1ccc(Nc2nccc([C@H]3CCN(C(=O)c4ccccc4)C3)n2)nc1 257225968 FIPYZWXTSQUMCG-KRWDZBQOSA-N 359.433 3.553 0 40 FHAB Fc1ccc(CN2CCC[C@@H](c3ccnc(Nc4ncccn4)c3)C2)nc1 257289904 QASJOJYHCHHOOF-MRXNPFEDSA-N 364.428 3.529 0 40 FHAB CCCCCn1cc(C(=O)NCCCc2nc(C)no2)c2ccccc21 538575936 SDRFJKLOCPDIIU-UHFFFAOYSA-N 354.454 3.886 0 40 FHAB CC1(C)O[C@@H]2C[C@@]3(C)C(=O)CC[C@H]3[C@H]3CC[C@H]4C[C@@H](O)C[C@@H](O1)[C@@]4(C)[C@H]23 257350579 YOMKZERBLMKYST-SWLFSMDCSA-N 362.510 3.699 0 40 FHAB Cc1cc(C2(NC(=O)Nc3ccc(CCC(C)C)cn3)CCOCC2)on1 626582402 VBWIHSLSIJLJRJ-UHFFFAOYSA-N 372.469 3.794 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N[C@H](C)c2ccc(F)cc2F)c1C 57713711 UOORAWRKVNFJMO-ZYHUDNBSSA-N 364.392 3.618 0 40 FHAB CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)c3ccsc3)cc2C1 91064150 GLDUACPZELEGSL-UHFFFAOYSA-N 359.451 3.689 0 40 FHAB O=C(NCCCNC(=O)c1ccccc1Cl)c1ccccc1Cl 5898094 BEMJCUUBZHIWCH-UHFFFAOYSA-N 351.233 3.543 0 40 FHAB COc1ccccc1CN1CCC2(CC1)CC(=O)c1cc(F)ccc1O2 12113653 MTMDODMFOCRDLU-UHFFFAOYSA-N 355.409 3.834 0 40 FHAB CN1Cc2cccc(C(=O)NC3(c4cccc(F)c4)CCCC3)c2C1=O 12143144 URCIQHYSYLLUGX-UHFFFAOYSA-N 352.409 3.611 0 40 FHAB COc1ccc2cnc([C@H]3CCCN(C(=O)c4cc(C)no4)C3)cc2c1C 12187958 XTINWRAVNAQFHT-INIZCTEOSA-N 365.433 3.868 0 40 FHAB CCc1cc(O)n2nc([C@@H]3CCCCN3Cc3ccccc3OC)cc2n1 12276479 QFLYOEIYBJQBOP-SFHVURJKSA-N 366.465 3.733 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1 14396977 MOEOOQKUDBTBSH-HOTGVXAUSA-N 354.450 3.929 0 40 FHAB COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 15243319 VUBBUXZUCVMJSD-UHFFFAOYSA-N 360.218 3.581 0 40 FHAB Cc1ccc(-c2nc3ncc(C(=O)Nc4ccccc4C)c(C)n3n2)cc1 17073775 HPGCKKJOVBLGAP-UHFFFAOYSA-N 357.417 3.969 0 40 FHAB CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccccc3C)CC[C@@H]21 19237248 ISGQVLJTEAUROB-ACRUOGEOSA-N 354.519 3.893 0 40 FHAB Cc1ccc(CC(=O)Nc2cccc([C@H]3CCc4nncn4C3)c2)cc1C 19699213 REDLXDSZARSEJV-IBGZPJMESA-N 360.461 3.806 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3nc(C(C)C)cs3)[nH]n2)c(OC)c1 19716295 NKASAKQUCBSIQC-UHFFFAOYSA-N 372.450 3.926 0 40 FHAB CC(C)C(=O)NC(=S)Nc1ccc(-c2ccc(C(=O)O)o2)c(Cl)c1 226351573 RPGNVKRRKSWCIN-UHFFFAOYSA-N 366.826 3.767 0 40 FHAB CC(C)(C)c1ccc(NC(=O)NCC2CCN([C@@H]3CCOC3)CC2)cc1 575605280 CJVVAFHSLZOQCZ-LJQANCHMSA-N 359.514 3.607 0 40 FHAB O=S(=O)(c1ccc(Cl)cc1)N1CCN=C1SCc1ccccc1 2711399 CSBZNMMQICPMHW-UHFFFAOYSA-N 366.895 3.634 0 40 FHAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc3ccc(C)cc3s2)c1 5241287 DEKBKAKYYUTONB-UHFFFAOYSA-N 360.460 3.651 0 40 FHAB COCCn1c([C@H](CNc2cccc(C)c2)CC(=O)O)nc2ccccc21 17135410 RNLHBGQAYAYRNT-INIZCTEOSA-N 367.449 3.662 0 40 FHAB CCN1C(=O)Cc2cc(NC(=O)c3cccc(Br)c3)ccc21 17288904 LMGDKNVYEZRAJI-UHFFFAOYSA-N 359.223 3.610 0 40 FHAB Cc1cc(C(=O)N2CCC(COc3ccc(C(C)(C)C)nn3)CC2)c(C)o1 1775965939 LXPCHXANMYXJKQ-UHFFFAOYSA-N 371.481 3.915 0 40 FHAB CN(C)c1ccc(C(=O)N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)cc1 1775973927 QVWLHLUISMLAAA-IRXDYDNUSA-N 358.873 3.611 0 40 FHAB Cc1cccc(OCC(=O)Nc2cccc3ccc(-n4ccnc4)nc23)c1 49416134 STRBIUBEGYNRCS-UHFFFAOYSA-N 358.401 3.746 0 40 FHAB O=C(c1cccc2ccccc12)N1CC[C@H](Oc2ncc(Cl)cn2)C1 575613774 TYDYRXFTRHDMQM-HNNXBMFYSA-N 353.809 3.577 0 40 FHAB O=C([C@H]1CCCN(CCCc2ccccc2)C1)N1CCC(F)(F)CC1 2298213800 HXPYPBUYBFZEON-SFHVURJKSA-N 350.453 3.589 0 40 FHAB COC(=O)c1ccc(OCc2noc(-c3ccccc3Cl)n2)c(OC)c1 31701405 KGYBPWOBVLLWHS-UHFFFAOYSA-N 374.780 3.764 0 40 FHAB CCN(CC)[C@H](CNC(=O)c1ccc(OC)c(F)c1)c1ccsc1 31986740 AZAPZSAYJDYICF-MRXNPFEDSA-N 350.459 3.709 0 40 FHAB Cc1ccc(-c2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)n[nH]2)s1 32411152 CULBTDPEOMWSTG-UHFFFAOYSA-N 366.446 3.826 0 40 FHAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1noc(-c2cccc(Cl)c2)n1 32623275 NKUMSDZENHFCLT-JTQLQIEISA-N 361.760 3.935 0 40 FHAB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(C)c2)n2ncnc2N1 954666 JSHNFYCAAFCRNQ-IBGZPJMESA-N 359.433 3.823 0 40 FHAB Cc1cc2ccccc2n2c(SCC(=O)N3CCCC[C@H]3C)nnc12 1223188 IXJKXJYCMFNOEW-CQSZACIVSA-N 354.479 3.684 0 40 FHAB CCCn1c(SCC(=O)N2c3ccccc3C[C@H]2C)nnc1C(C)C 1364211 UIFGJXLOIMEXHD-CQSZACIVSA-N 358.511 3.881 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)N2CCC(CN3CCCCCC3)CC2)cc1 32927276 DGTATBUMLIIHQL-IBGZPJMESA-N 357.542 3.910 0 40 FHAB CCOc1cccc2c1O[C@]1(C)C[C@H]2NC(=O)N1c1ccc(OC)cc1 4101649 GRHOTBGQXWARMI-OXQOHEQNSA-N 354.406 3.864 0 40 FHAB O=S(=O)(NCc1cccc(C(F)(F)F)c1)c1ccc(Cl)s1 21821533 KCVXXAWEMZFNCC-UHFFFAOYSA-N 355.790 3.899 0 40 FHAB O=C(O)CCc1ccc(-c2ccc(F)cc2)n1NC(=O)c1cccs1 6322535 ICMFUOYWAAVLTQ-UHFFFAOYSA-N 358.394 3.757 0 40 FHAB COc1ccc(C(=O)[C@H](C)Sc2nncn2-c2ccccc2OC)cc1 6534741 MRKZWTLXQKWXDH-ZDUSSCGKSA-N 369.446 3.648 0 40 FHAB C[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccc(C(C)(C)C)cc1 10112018 UUSQFMUOIUIQRN-CQSZACIVSA-N 374.506 3.847 0 40 FHAB CC(C)n1c(=O)[nH]c(=O)c2c(-c3ccc(-c4ccccc4)cc3)ccnc21 10339009 ZNYOXYIGVTZEKB-UHFFFAOYSA-N 357.413 4.000 0 40 FHAB O=C(Nc1nc(CN2CCCCC2)cs1)c1cncn1-c1ccccc1 22289754 SSHNHPPYFSJZSF-UHFFFAOYSA-N 367.478 3.567 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1OC 8478745 GFLZQIHOXFFDBB-HNNXBMFYSA-N 370.449 3.631 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)Cn1ccnc1-c1ccccn1 103919522 YNRLCFPGLGINJZ-UHFFFAOYSA-N 356.813 3.554 0 40 FHAB CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(C2CCCCC2)CC1 22923122 ZITJEYGHRXEHNH-PMACEKPBSA-N 363.590 3.658 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H](C)Nc1ccc(N2CCCC2=O)cc1 12517407 DWKWCWMADBNPTP-HNNXBMFYSA-N 367.449 3.570 0 40 FHAB COC(=O)c1cc(Oc2ncnc3sc(C)c(C)c23)cc(C(=O)OC)c1 948469 PEWCZRBRTDREKX-UHFFFAOYSA-N 372.402 3.674 0 40 FHAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OC)cc2OC)c1 21595691 SNBFZQBQHPOZEF-UHFFFAOYSA-N 362.813 3.958 0 40 FHAB C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1 55344429 ATEPFLRELWLRMK-SFHVURJKSA-N 372.468 3.640 0 40 FHAB CC(C)Cc1noc(CNc2ccc(Cl)cc2C(=O)N2CCCC2)n1 55866668 XWOPIHAMZCHGGH-UHFFFAOYSA-N 362.861 3.770 0 40 FHAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)[C@@H]3C[C@@H]3C)ccc21 3235115 OOCHUSKUGZRVDS-XJKSGUPXSA-N 350.418 3.952 0 40 FHAB CCOc1ccc(OCC)c(NCc2cc(=O)n3cc(Cl)ccc3n2)c1 25612432 AEHCMKOOBNUNEW-UHFFFAOYSA-N 373.840 3.757 0 40 FHAB O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)c1cccs1 3242842 XAWGWQAFCJAHIQ-SFHVURJKSA-N 365.454 3.833 0 40 FHAB C[C@H]1CN(C(=O)[C@H](C)Nc2ccc(Oc3ccccc3)cc2)C[C@@H](C)O1 12641135 MCCUSHKWPJUIFZ-BBWFWOEESA-N 354.450 3.915 0 40 FHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2cc(C)ccc2C)cc1OC 1943768 FTSQOZRMBNFRCM-CSKARUKUSA-N 369.417 3.516 0 40 FHAB CCc1onc(C)c1C(=O)N1[C@H](COc2cccc(OC)c2)[C@@H]2CC[C@@H]1C2 100112264 GHJWLPNLQNSAQE-IIDMSEBBSA-N 370.449 3.626 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)N[C@H](C)c2ccccc2OC(F)F)c1 28054956 ODQIKIJASJWYAS-CYBMUJFWSA-N 355.406 3.944 0 40 FHAB O=C(NCc1ccc(O)cc1)c1cc(-c2ccco2)nn1-c1ccccc1 58011387 DHBGCKCCOFIKBD-UHFFFAOYSA-N 359.385 3.768 0 40 FHAB CCCCc1nc(CS(=O)(=O)[C@@H](C)c2nc(C(C)C)no2)cs1 58024711 UOHIHKLLWRGXTN-NSHDSACASA-N 357.501 3.668 0 40 FHAB NC(=O)c1cc(NC(=O)c2ccc(Sc3ccccn3)cc2)ccc1F 58098224 RXKKUFZVGLIOSC-UHFFFAOYSA-N 367.405 3.723 0 40 FHAB O=C(NCc1cccs1)[C@H]1CCC[C@@H](C(=O)NCc2cccs2)C1 58218064 XLBMSFCWRVBJMX-OKILXGFUSA-N 362.520 3.549 0 40 FHAB CCOc1ccc([C@@H](C)NC(=O)c2cccnc2OCC)cc1OCC 3336745 XEUUIOTVQQKXDY-CQSZACIVSA-N 358.438 3.769 0 40 FHAB Cc1cc(C)n(Cc2ccc(C(=O)NCCCOC3CCCC3)cc2)n1 61253782 GPMHLEJAOULTON-UHFFFAOYSA-N 355.482 3.627 0 40 FHAB O=C(CSc1nnnn1-c1ccc(Cl)cc1)c1c[nH]c2ccccc12 3315018 OOQFMOKPVYGYFG-UHFFFAOYSA-N 369.837 3.772 0 40 FHAB CCSc1nc(NC[C@@H](C)O)c2c3c(sc2n1)CO[C@](C)(CC)C3 2423646 DPRIGHLKISTUNH-BMLIUANNSA-N 367.540 3.837 0 40 FHAB O=C(O)CC1(CC(=O)Nc2cccc(N3CCCC3=O)c2)CCCCC1 29010923 LUMNCECBOWWGAG-UHFFFAOYSA-N 358.438 3.567 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)c1ccc(OCC(F)(F)F)nc1 12771715 LIPTYTKEPVNRNM-NSHDSACASA-N 354.328 3.522 0 40 FHAB CCOC(=O)c1ccsc1NC(=O)CSc1ccc(F)cc1F 29502685 HKVADQSPWCVOOL-UHFFFAOYSA-N 357.403 3.934 0 40 FHAB Cc1cc(C)cc(OCC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 12885683 OPJDVQSJJYVQCF-GOSISDBHSA-N 366.461 3.560 0 40 FHAB CCn1c(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)nnc1-c1cccs1 3596436 BRWOVMCIYXZYBB-CHWSQXEVSA-N 364.540 3.623 0 40 FHAB CC(C)OCCCNC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 12999576 YHYSMDSIYWLGAW-FQEVSTJZSA-N 367.445 3.686 0 40 FHAB Cc1csc(SCc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)n1 17324632 KCXJNSRQAHOAQX-OKILXGFUSA-N 362.520 3.993 0 40 FHAB COc1ccc(NC(=O)c2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)cc1 28286924 VAAXQQRLLWPCGZ-GFCCVEGCSA-N 350.374 3.926 0 40 FHAB CN(Cc1ccc2c(c1)OCO2)C(=O)CCC(=O)c1ccc(Cl)cc1 18156124 QMPJXTZOIABDFZ-UHFFFAOYSA-N 359.809 3.690 0 40 FHAB COc1cc2c(c(OC)c1OC)[C@H](c1ccccc1OC(C)C)CC(=O)N2 4487304 SZRRGAZDOYRHQJ-AWEZNQCLSA-N 371.433 3.974 0 40 FHAB C[C@H](NC(=O)c1ccc(C(N)=S)cc1)c1ccc(C(F)(F)F)cc1 65552619 UNAVCPPSMCJAAY-JTQLQIEISA-N 352.381 3.831 0 40 FHAB Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccncc2)n1 5323699 WNNWXBSHYREQGA-LJQANCHMSA-N 369.380 3.641 0 40 FHAB O=C(CSc1nn(-c2ccccc2)c(=S)s1)N1CCCCC1 6543739 DBPYLFQHZUNVKL-UHFFFAOYSA-N 351.522 3.768 0 40 FHAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCc1ccccc1 5557689 RPVBGXUGCHESER-NRFANRHFSA-N 358.441 3.864 0 40 FHAB COc1cccc(-c2nnc(SCC(=O)c3ccc(F)cc3)n2C)c1 4736489 DIJMECYWCVVAMG-UHFFFAOYSA-N 357.410 3.605 0 40 FHAB Cc1ccccc1-n1c(C)nnc1SCC(=O)N(C)Cc1cccs1 5619778 NRHNHDTXNZMFJT-UHFFFAOYSA-N 372.519 3.696 0 40 FHAB COc1ccc(CN(C(=O)c2ccc(Br)o2)C2CC2)cc1 8855735 XFXRZKVTFURQTR-UHFFFAOYSA-N 350.212 3.856 0 40 FHAB CC(C)N1CCC(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)CC1 8945862 RXJLNGUTVSDBFV-UHFFFAOYSA-N 361.486 3.636 0 40 FHAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)CCc2nc3ccccc3s2)[C@@H]1C 4977399 DAYBGRBVWYPODG-RBSFLKMASA-N 374.506 3.713 0 40 FHAB COc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1OC 7056309 MWWZWFYDCLNRBI-UHFFFAOYSA-N 361.341 3.523 0 40 FHAB CCNc1nnc(S[C@@H](C)c2nnc(-c3ccc(OC)cc3)o2)s1 7248962 UYEDTXNLDTXGAG-VIFPVBQESA-N 363.468 3.882 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccccc2Br)C1 67801289 BQHSQMQLYLXFGR-CQSZACIVSA-N 369.303 3.938 0 40 FHAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cc2c(Cl)cccc2s1 7986749 KFMOWPMSBBOGJL-UHFFFAOYSA-N 355.810 3.783 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCSc3ccccc32)c1C 16556311 JDEVYCDZPIPEOY-UHFFFAOYSA-N 358.463 3.603 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)Sc2ncnc3c2oc2ccccc23)no1 8258032 KOEZXLVPKWMKOH-SNVBAGLBSA-N 354.391 3.792 0 40 FHAB CCOc1cn(-c2ccccc2)nc1C(=O)N1c2ccccc2OC[C@@H]1C 72533396 DYMGTVPVEYEQFA-HNNXBMFYSA-N 363.417 3.699 0 40 FHAB COc1ccc(-c2noc(CNC(=O)/C=C/c3ccccc3Cl)n2)cc1 9582054 ANAMQLXRTRASKT-DHZHZOJOSA-N 369.808 3.728 0 40 FHAB CSc1ccc(NC(=O)c2ccc(/C=C3/SC(=O)NC3=O)cc2)cc1 96925355 RAUPTSXCBQLGFC-XNTDXEJSSA-N 370.455 3.985 0 40 FHAB COc1ccc(Nc2ncccc2C(=O)NCc2ccccc2OC)cc1 22073029 GWNXYOGIPZJPBB-UHFFFAOYSA-N 363.417 3.772 0 40 FHAB O=C(Nc1cnc2sc3cc(Cl)ccc3n2c1=O)c1ccccc1 408606998 MUFINCKGSRFGTF-UHFFFAOYSA-N 355.806 3.815 0 40 FHAB O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1cccc2ccccc12 57291681 LEPPTNNUWAMEHT-UHFFFAOYSA-N 363.436 3.740 0 40 FHAB CC(C)c1nnc(C2CCN(C(=O)Cc3cn(C)c4ccccc34)CC2)o1 38518116 MTAYKEHWZJSAEF-UHFFFAOYSA-N 366.465 3.633 0 40 FHAB CC(C)Sc1ccc(CC(=O)N2CCC3(CC2)OCCS3)cc1 70637305 ORGRCWNLKOZEOQ-UHFFFAOYSA-N 351.537 3.812 0 40 FHAB FC(F)(F)Oc1ccc(-c2nn3c(-c4ccncc4)nnc3s2)cc1 61720916 CUDGHLQCVWZJQR-UHFFFAOYSA-N 363.324 3.813 0 40 FHAB Cc1ncsc1C(=O)N1CCc2nc(-c3ccccc3F)sc2C1 36752121 YWQYYOWKWXUKRU-UHFFFAOYSA-N 359.451 3.913 0 40 FHAB CN(C(=O)NCc1cccnc1OCC(F)(F)F)C1CCCCCC1 71929028 WNNMQOKFTHTOBL-UHFFFAOYSA-N 359.392 3.887 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCSC1CCOCC1 238958275 YEPGWZVDVKXVAF-UHFFFAOYSA-N 357.903 3.526 0 40 FHAB COc1cccc(N2C[C@@H](C(=O)Nc3cccc4c3CCCC4)CC2=O)c1 32759330 JINIHSGFABYJGQ-INIZCTEOSA-N 364.445 3.566 0 40 FHAB Cc1c(S(=O)(=O)c2ccc(C(C)(C)C)cc2)nnn1-c1cccc(F)c1 9611291 KCOFRXZTHFMLAY-UHFFFAOYSA-N 373.453 3.845 0 40 FHAB CN(C(C1CC1)C1CC1)S(=O)(=O)c1c(F)cccc1OC(F)(F)F 561506753 ZZIFDSJXKVOWBL-UHFFFAOYSA-N 367.364 3.533 0 40 FHAB COc1cc(CNC(=O)[C@@H](C)Oc2ccc(C)cc2)ccc1OC(C)C 218970753 NQWQGWQVCFYLGB-MRXNPFEDSA-N 357.450 3.875 0 40 FHAB CCN(CC)c1ccc(CNC(=O)N2CCC(CC(F)(F)F)CC2)cn1 562842648 PDTUEFSEDIEFLI-UHFFFAOYSA-N 372.435 3.802 0 40 FHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1C 225011968 CRJMGNVSHZKVQD-OALUTQOASA-N 366.505 3.870 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222711542 UCLLWTQQSXNODY-CXAGYDPISA-N 359.397 3.632 0 40 FHAB CN(C)c1nccc(CNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 224238656 NJDKSQUJRYLBIN-UHFFFAOYSA-N 373.766 3.537 0 40 FHAB Cc1cccc(CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 42646677 JGFJBQJJNKJZNJ-UHFFFAOYSA-N 370.758 3.922 0 40 FHAB O=C(NC[C@@](O)(c1ccco1)c1cccs1)c1c(F)cccc1Cl 225585950 JMTPUSVUVPWINX-QGZVFWFLSA-N 365.813 3.800 0 40 FHAB COc1ccc(C2(NC(=S)Nc3ccncc3)CCCC2)cc1OC 225874420 WCTLEXGBCSNHHG-UHFFFAOYSA-N 357.479 3.855 0 40 FHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)N1CCN(c2ccccc2)CC1 224060173 OBPDDVUAMMIJQH-GOSISDBHSA-N 364.489 3.682 0 40 FHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC2CCCCC2)cc1 223945756 SUHCHPINIUGLBO-RGEXLXHISA-N 368.433 3.508 0 40 FHAB CN(CCOc1ccc(C=O)cc1)c1ccc(OCc2ccccc2)cn1 514279720 UXYQAIBMHBGPTQ-UHFFFAOYSA-N 362.429 3.988 0 40 FHAB CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225108401 HFFLXPZHCVQNAQ-UHFFFAOYSA-N 373.833 3.712 0 40 FHAB CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(F)cc1 220664594 LOBRVQBMMDOPCO-CVEARBPZSA-N 351.418 3.729 0 40 FHAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1cccc(OC(F)F)c1 95478360 WWWPBSGCFVFESN-ZDUSSCGKSA-N 369.393 3.783 0 40 FHAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cccc(O)c2)S1 96118448 XZURIBFKYHJOOC-BBRMVZONSA-N 373.478 3.898 0 40 FHAB COc1ccc(C(=O)[C@H](O)c2ccc(F)c(Br)c2)cc1C 95630771 QAWIMISQZZHHGL-MRXNPFEDSA-N 353.187 3.822 0 40 FHAB Cc1n[nH]cc1C1CCN(C(=O)c2ccc(F)c(COC(C)C)c2)CC1 585082180 WWMOWAALJCLSMC-UHFFFAOYSA-N 359.445 3.802 0 40 FHAB O=C(c1ccc2ncccc2c1)N1CCC[C@H](c2ccc3cn[nH]c3n2)C1 257307477 SYTZIZBOIZSNPH-KRWDZBQOSA-N 357.417 3.526 0 40 FHAB CC(C)Cn1cc(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cn1 608334752 UKWQOFZDEMZUDW-GOSISDBHSA-N 369.513 3.667 0 40 FHAB O=C(O)[C@@H]1[C@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]21 616577617 JKXFSIRXKZELBS-NLWGTHIKSA-N 363.413 3.588 0 40 FHAB Cc1nc2cc(NC(=O)N[C@H](C[C@@H]3CCCO3)C(F)(F)F)ccc2o1 654020174 RXEPKNKZMRZZTJ-SMDDNHRTSA-N 357.332 3.758 0 40 FHAB CN(C)C[C@H]1CSCCCN1C(=O)c1ccc(-c2ccccc2)cc1 90699909 KPVRMXFVYCKLJF-FQEVSTJZSA-N 354.519 3.863 0 40 FHAB CO[C@H](CNS(=O)(=O)c1cccc(Cl)c1C)c1ccc(C)s1 96104798 DPAJDTHZIFDJKH-CYBMUJFWSA-N 359.900 3.684 0 40 FHAB COc1ccc(CN2Cc3ccccc3OC3(CCOCC3)C2)c(OC)c1 12122117 BCBMWTFEGVEEBM-UHFFFAOYSA-N 369.461 3.648 0 40 FHAB CC(=O)N1c2ccc(NC(=O)C[C@H](C)n3nc(C)c(C)c3C)cc2C[C@H]1C 12204359 GZOQTBMACPZHID-OLZOCXBDSA-N 368.481 3.696 0 40 FHAB O=C1COc2ccc(NC(=O)C3c4ccccc4Oc4ccccc43)cc2N1 12768083 BJYOBSMMPPSWGJ-UHFFFAOYSA-N 372.380 3.894 0 40 FHAB CCNc1nc2ccccc2nc1NS(=O)(=O)c1cccc(Cl)c1 16757072 VJIWJANZJCGONU-UHFFFAOYSA-N 362.842 3.516 0 40 FHAB CC(C)(C)C(=O)N[C@@H](c1ccccn1)C1CCN(Cc2ccccn2)CC1 19082085 QTKBKTVCQVGVPY-HXUWFJFHSA-N 366.509 3.592 0 40 FHAB COc1ccc2[nH]c(CN(Cc3ccccn3)C[C@@H]3CCCO3)cc2c1 19663016 YRHYJHIVYFAJGF-FQEVSTJZSA-N 351.450 3.753 0 40 FHAB CCN[C@H]1CN(C(=O)c2cc3cc(OC)ccc3n2C)C2(CCCCC2)C1 19703923 UGXNDAMZVJZEAD-QGZVFWFLSA-N 369.509 3.714 0 40 FHAB Cc1cc(C)nc(-n2nc(C)c3c2C[C@H](c2cc(F)cc(F)c2)CC3=O)n1 19817213 KSGSCFVSYSISKH-AWEZNQCLSA-N 368.387 3.778 0 40 FHAB O=C(O)c1cn(C(=O)Cc2ccc(Br)cc2)c2ccccc12 226366154 HDPGOEVKAMSJSD-UHFFFAOYSA-N 358.191 3.985 0 40 FHAB CCOc1ccc(Oc2cc(CNC(=O)N3CC[C@@H]4C[C@@H]4C3)ccn2)cc1 663752142 FICWSHUDSNDZRP-IAGOWNOFSA-N 367.449 3.824 0 40 FHAB COCCn1cnn(CN(C)C(c2ccccc2)c2ccccc2)c1=S 23610872 QXHJIBFJNGGQDL-UHFFFAOYSA-N 368.506 3.739 0 40 FHAB CSc1nc(-c2ccco2)nc(C)c1C(=O)NCc1ccc(F)cc1 24837117 KNQYBIYJBPKDCE-UHFFFAOYSA-N 357.410 3.836 0 40 FHAB Cc1nnc(N2CCC[C@H](COc3ncccc3C(F)(F)F)C2)s1 1776001182 CUPUEXONLHNDTA-NSHDSACASA-N 358.389 3.556 0 40 FHAB O=C1CO[C@H]2CCN(Cc3ccc(Cl)cc3)C[C@@H]2CN1c1ccccc1 2037984396 ZPLLYIXPDDRERR-XLIONFOSSA-N 370.880 3.594 0 40 FHAB Fc1ccccc1CSc1ncnc2c1nnn2Cc1ccccc1 4166368 PFMSJASXQJXGEY-UHFFFAOYSA-N 351.410 3.701 0 40 FHAB Cc1ccccc1OCC(=O)Nc1ccc(C)c(N2CCCCC2=O)c1 5441834 NNGIGRKBPNLTNP-UHFFFAOYSA-N 352.434 3.838 0 40 FHAB O=C(Nc1nnc(-c2ccc(Br)s2)o1)c1ccc(F)cc1 11695437 GJGUJISSJJNVSY-UHFFFAOYSA-N 368.187 3.952 0 40 FHAB CCN(CC)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 13013655 XXBUFDGHBYMMAV-KRWDZBQOSA-N 359.470 3.907 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)NC[C@](O)(c1ccsc1)c1cccs1 244969012 GTUPKSQKCNLVJS-LIRRHRJNSA-N 373.499 3.629 0 40 FHAB O=C1NC(=O)c2ccccc2/C1=C/c1ccc(OCc2cscn2)cc1 40050369 SSIWNMBXDILTLH-NVMNQCDNSA-N 362.410 3.533 0 40 FHAB Cc1cc(C)cc(OCC(=O)Nc2ccc(OCc3nccn3C)cc2)c1 40134900 UKBSGIZOOVDQBW-UHFFFAOYSA-N 365.433 3.633 0 40 FHAB COc1ccc(C(C)=O)cc1CSc1nc2nc(C)c(C)c(C)n2n1 40119182 UUTRTEZCVDLBSC-UHFFFAOYSA-N 356.451 3.553 0 40 FHAB O=C(O)c1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)cc1 40287856 PZTGFDRBKNCTKO-HNNXBMFYSA-N 351.337 3.833 0 40 FHAB Cc1c(C(=O)Cn2nc(-c3ccccc3)ccc2=O)c2ccccc2n1C 40285351 KOZXOIGDMCOPKB-UHFFFAOYSA-N 357.413 3.593 0 40 FHAB Cc1ccccc1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100632552 RSTFYUCCHONANF-FVCZOJIISA-N 372.424 3.559 0 40 FHAB O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1cnn2cccnc12 32764489 UYRMTZCRLMONKG-SFHVURJKSA-N 362.820 3.902 0 40 FHAB O=C(OCCOc1ccccc1F)c1cc2c(nc3sccn32)s1 46248119 CWLMLYXXJYHYJM-UHFFFAOYSA-N 362.407 3.985 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C 2656890 QJPXZCMEOJVDKY-SFHVURJKSA-N 358.413 3.618 0 40 FHAB C[C@@H](Sc1nncn1Cc1ccco1)C(=O)c1c[nH]c2ccccc12 32869318 HPNRHVKRJKQGEN-GFCCVEGCSA-N 352.419 3.764 0 40 FHAB COC(=O)c1c(NC(=O)C2CC2)sc(C(=O)Nc2ccc(C)cc2)c1C 871226 QZWZFJBRGDZGII-UHFFFAOYSA-N 372.446 3.752 0 40 FHAB Cc1nc2ccc(NC(=O)NC[C@@H](C)N3CCc4ccccc4C3)cc2o1 76102114 RDCYBELIFSHXKW-CQSZACIVSA-N 364.449 3.705 0 40 FHAB Cc1cccc(C(O)(C(=O)OCCN2CCCCC2)c2cccc(C)c2)c1 1710787 WYJHVFAONARLTF-UHFFFAOYSA-N 367.489 3.568 0 40 FHAB O=C(CCc1ccccc1Cl)N1CCC[C@@H](c2nnc3ccccn23)C1 32904396 YYNFLEJROYCGNN-MRXNPFEDSA-N 368.868 3.722 0 40 FHAB Cc1cc(C)c(C)c(C(=O)CSc2nnnn2-c2ccccc2)c1C 3504217 BLTNFAACWSYPKN-UHFFFAOYSA-N 352.463 3.871 0 40 FHAB COc1ccc(NC(=O)c2nnn(-c3ccccc3F)c2C)cc1Cl 2713215 SATVVENXZJGEMM-UHFFFAOYSA-N 360.776 3.629 0 40 FHAB O=C(NC(=S)Nc1ccc(CN2CCCCC2)cc1)c1cccs1 6548253 UANMPPXBORGIQG-UHFFFAOYSA-N 359.520 3.861 0 40 FHAB CC(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 6906728 VNYDMXCLOKJNPK-FQEVSTJZSA-N 368.477 3.686 0 40 FHAB O=C(COC(=O)c1ccc(Cn2nnc3ccccc32)cc1)c1ccccc1 7169578 OZEKEFIJWMUSGK-UHFFFAOYSA-N 371.396 3.519 0 40 FHAB CN(Cc1ccccc1)C(=O)NC1(C(F)(F)F)Oc2ccccc2O1 646288 DZTSSQOPOIOMKG-UHFFFAOYSA-N 352.312 3.516 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1OC 8049723 BDIJDVWIWOIQIS-LSDHHAIUSA-N 370.449 3.630 0 40 FHAB COc1ccc(C2=NN(C(=O)C(C)C)[C@@H](c3ccc4nccnc4c3)C2)cc1 12420811 YLLGAUHGPFHSSD-OAQYLSRUSA-N 374.444 3.972 0 40 FHAB O=C(NCc1ccc(F)cc1)NCc1ccc(OCC(F)(F)F)cc1 23392480 GODLDETUYJUZFB-UHFFFAOYSA-N 356.319 3.766 0 40 FHAB COc1ccc(N2C3=[N+](CCCC3)[C@@H](C)[C@@]2(O)c2ccc(Cl)cc2)cc1 3092953 GAIBYRYSJVLECI-YCRPNKLZSA-N 371.888 3.997 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)OCC(=O)C(C)(C)C 9418077 KCQDTZNAXDXVLC-ZHACJKMWSA-N 358.413 3.800 0 40 FHAB CCCOc1ccc(C(=O)NC[C@@H](c2ccccc2OC)N(C)C)cc1 23713838 WGFGINIEBVKZSZ-IBGZPJMESA-N 356.466 3.517 0 40 FHAB biogenic Cc1ccc(NC(=O)Nc2cccn(Cc3ccc(Cl)cc3)c2=O)nc1 1391185 KNSJCBLKFKMUBO-UHFFFAOYSA-N 368.824 3.897 0 40 FHAB CSCc1c(C(=O)OCC(=O)NCc2ccccc2)oc2ccccc12 12567375 KUJBRDFKZCHQPA-UHFFFAOYSA-N 369.442 3.769 0 40 FHAB Cc1cccnc1NC(=O)[C@H]1CCCN(C(=O)NC2CCCCCCC2)C1 56370908 HNNMNVJTWXUBCM-KRWDZBQOSA-N 372.513 3.863 0 40 FHAB O=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCCCN1C(=O)c1ccccc1 107334409 IZENGFWMMZMWST-IJXRJRJASA-N 354.494 3.624 0 40 FHAB O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1ccccc1OC(F)F 57065127 FJZGARDWMGNGJG-CYBMUJFWSA-N 364.367 3.683 0 40 FHAB CCOc1cccc2cc([C@@H](C)NC(=O)CNC(=O)C3CCCCC3)oc12 9498225 HDMVVYIMQGEZSU-CQSZACIVSA-N 372.465 3.705 0 40 FHAB Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(C)c1 26882669 SJSCAZMFFPVLLK-UHFFFAOYSA-N 363.504 3.649 0 40 FHAB CC[C@H]1CCCN(C(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)C1 48200123 FGGHYQZZTOQWAV-ZGKFYVQTSA-N 354.494 3.587 0 40 FHAB CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 113940352 WQHSGVZUROVRPR-INIZCTEOSA-N 374.506 3.580 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C)cc1 3372928 NXHTWKVDFDXZRY-UHFFFAOYSA-N 356.426 3.660 0 40 FHAB CC(C)(C)c1ccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1 3368849 AOBPWNQMULDUQQ-UHFFFAOYSA-N 371.481 3.567 0 40 FHAB Cc1ccnc(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)c1 27649270 PZFKGABOXFGTAU-UHFFFAOYSA-N 358.401 3.869 0 40 FHAB Cc1ccccc1Oc1ccc(NC(=O)[C@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1 102611883 XSBOEEKPPAAHFH-WQNDOASUSA-N 363.413 3.923 0 40 FHAB COc1cccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2OC)c1 20141398 NZXIFOZGOFWDDU-UHFFFAOYSA-N 353.374 3.708 0 40 FHAB COc1ccc(NC(=O)COC(=O)c2ccc3ccccc3c2)c(OC)c1 3389074 JBVLVVJXKJLUMY-UHFFFAOYSA-N 365.385 3.653 0 40 FHAB CCn1c2ccccc2c2nnc(SCc3ccc(C(=O)OC)o3)nc21 3383966 DTHZZOGDKUZVBT-UHFFFAOYSA-N 368.418 3.671 0 40 FHAB O=C(c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)N1CCCC1 12767123 CFUJDPYLKWJRNV-UHFFFAOYSA-N 366.505 3.755 0 40 FHAB Cc1ccccc1-c1nc2s/c(=C\c3cccc4ccccc34)c(=O)n2n1 2375475 KYKAFXUKEZCOTN-UYRXBGFRSA-N 369.449 3.827 0 40 FHAB Clc1ccc(-n2ncc3c2ncn2nc(-c4cccs4)nc32)cc1 2412811 GSMPHSGOMMTOIQ-UHFFFAOYSA-N 352.810 3.845 0 40 FHAB O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1cc(F)cc(F)c1 2514758 YCQRHYYERBIJNL-UHFFFAOYSA-N 373.399 3.535 0 40 FHAB CC1CCN(C(=O)[C@H](C)Sc2nnc3sc4ccccc4n23)CC1 8710513 VIBUTAYPYHPHNT-LBPRGKRZSA-N 360.508 3.683 0 40 FHAB O=S(=O)(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccc(F)cc1 12877244 BGOFNYSMRYTZLQ-CQSZACIVSA-N 357.859 3.995 0 40 FHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccccc1 3554797 PHJMENJCMOGNOQ-UHFFFAOYSA-N 353.340 3.912 0 40 FHAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)c1ccc(O)cc1O 3522911 QBOZFHYTVQEUNK-UHFFFAOYSA-N 367.430 3.531 0 40 FHAB COc1ccc(Cl)cc1C(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 13011961 VRSDJPGHLNEETQ-CYBMUJFWSA-N 370.840 3.763 0 40 FHAB COc1ccc([C@H](NC(=O)Nc2ccc(Cl)cc2)c2nccn2C)cc1 9366308 HXLJYTVJJKHRSP-KRWDZBQOSA-N 370.840 3.993 0 40 FHAB O=C(CSc1ncnc2sc3c(c12)CCC3)NCCc1ccccc1 4194464 UXMXHCLENKHANB-UHFFFAOYSA-N 369.515 3.631 0 40 FHAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2C)c1 409380778 IBHHGMRPYAIREW-UHFFFAOYSA-N 372.490 3.649 0 40 FHAB C[C@@H](c1cccc(C(F)(F)F)c1)N(Cc1nnnn1C1CC1)C1CC1 64932793 JPYSALGLFRAKBM-NSHDSACASA-N 351.376 3.752 0 40 FHAB CCOc1ccccc1N1CCN(C(=O)c2cc3c(s2)CCCC3)CC1 6248332 HPWKNSYMMCUVLV-UHFFFAOYSA-N 370.518 3.988 0 40 FHAB CC(C)COc1ccc(C(=S)N2CCC(C(N)=O)CC2)c2ccccc12 6326983 CWARNRDDBFHFHX-UHFFFAOYSA-N 370.518 3.747 0 40 FHAB CCc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2C)cc1 14093142 DPKAGXZKOVFZLX-CYBMUJFWSA-N 352.463 3.803 0 40 FHAB O=C(COC(=O)c1cccc(OC(F)F)c1)Nc1ccc(F)cc1Cl 6485906 NWYYGENQFCGRDZ-UHFFFAOYSA-N 373.714 3.876 0 40 FHAB CC(=O)N1CC=C(c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)CC1 14141123 XUUFGAKYPPNAPV-UHFFFAOYSA-N 364.445 3.648 0 40 FHAB O=C1C[C@H](c2nc(-c3cccnc3)no2)CN1c1cccc2ccccc12 8986197 FUXFYFZHRTVBFL-INIZCTEOSA-N 356.385 3.805 0 40 FHAB Cc1ccccc1-n1nnnc1C1(Nc2cccc(C(=O)O)c2)CCCC1 4663565 MOGLEBGEJCHLBB-UHFFFAOYSA-N 363.421 3.550 0 40 FHAB CCOc1ccc(-n2cnc3c(c(C)c(C)n3Cc3ccco3)c2=N)cc1 6671883 IBJSZKRRVPBJRY-UHFFFAOYSA-N 362.433 3.963 0 40 FHAB CCCOc1ccc(C(=O)Nc2nonc2-c2ccc(OC)cc2)cc1 8915177 LOIXFKDLSPSXNL-UHFFFAOYSA-N 353.378 3.786 0 40 FHAB COc1ccc([C@@H]2C[C@@H](c3ccc(C)cc3)N(C(C)=O)c3ncnn32)cc1 4816751 LGNNQWROJCAUIB-PMACEKPBSA-N 362.433 3.682 0 40 FHAB Cc1ccccc1O[C@H](C)C(=O)NCc1ccc(CN2CCCC2)cc1 44872827 IAXFSOQZQRXFCJ-GOSISDBHSA-N 352.478 3.675 0 40 FHAB O=C(CSc1ncnc2c(-c3ccc(F)cc3)c[nH]c12)NC1CCCC1 71328191 NHFXHUKFQHTZHD-UHFFFAOYSA-N 370.453 3.915 0 40 FHAB Cc1ccccc1CN(C)C(=O)CSc1nncn1-c1ccccc1C 9322843 RFZIPOBJDDVKTE-UHFFFAOYSA-N 366.490 3.635 0 40 FHAB CCN(CC(=O)NCc1cccs1)Cc1ccc(Br)s1 16349855 AMSSPNIFMKFJEO-UHFFFAOYSA-N 373.341 3.710 0 40 FHAB CCOC(=O)c1c(NC(=O)CNc2ccccc2OC)sc(C)c1C 7953492 LAWZJHOSKRSWRL-UHFFFAOYSA-N 362.451 3.601 0 40 FHAB Cc1nnc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)o1 7989688 WCOLXNDDIOPHPO-UHFFFAOYSA-N 351.391 3.545 0 40 FHAB CN(C)c1ccc(NC(=O)[C@@]2(C)CCCCN2C(=O)OC(C)(C)C)cc1 96004526 MSYBBBHVCXYYKQ-HXUWFJFHSA-N 361.486 3.871 0 40 FHAB CCc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 8247729 MKKMYWOSNOZPMH-MRXNPFEDSA-N 352.434 3.558 0 40 FHAB C[C@@H]1CCc2sc(C(=O)N3CCN(CCc4cccs4)CC3)cc2C1 70036842 NUWYITICCFOHLF-OAHLLOKOSA-N 374.575 3.935 0 40 FHAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCc1cccc(Cl)c1 8388990 MSMXFAWRVMJNSW-GOSISDBHSA-N 373.884 3.845 0 40 FHAB Cc1cc(CN2CCN(Cc3cc(C)c(O)c(C)c3)CC2)cc(C)c1O 19857322 KHOSGZKQMJLJQK-UHFFFAOYSA-N 354.494 3.649 0 40 FHAB CCn1cc(CC(=O)N[C@@H](C)[C@H](O)c2cccc(F)c2)c2ccccc21 83843375 OCXKRRFRGLZPED-QKKBWIMNSA-N 354.425 3.581 0 40 FHAB O=C(Cc1csc(-n2cccc2)n1)N1CCC(c2ccccc2)CC1 61721977 WETFMFIHIIUNTA-UHFFFAOYSA-N 351.475 3.883 0 40 FHAB CN(C)C(=O)c1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1 9734199 QKDFCBZSQDUMLW-UHFFFAOYSA-N 363.417 3.615 0 40 FHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)NCCc2ccccc2C)c(C)c1 9866671 SAFFQBHPYFZKRO-UHFFFAOYSA-N 367.493 3.743 0 40 FHAB O=C(OCc1nnc(C2CC2)o1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 84502303 QCMZTRCWHNZVCW-NWDGAFQWSA-N 352.312 3.813 0 40 FHAB Fc1ccc(CN2CCC(c3nnc4ncc(C5CC5)cn34)CC2)cc1 306132814 LSWSNNJBVLZVAZ-UHFFFAOYSA-N 351.429 3.520 0 40 FHAB CCCCCn1ccc2c(nnc3c(-c4ccc(F)cc4)c(C)nn32)c1=O 40391847 PSXUEPRZFYFURK-UHFFFAOYSA-N 365.412 3.744 0 40 FHAB CCOc1ccc(N2C[C@H](C(=O)NC3CCC(CC)CC3)CC2=O)cc1 408706706 COMRLDVRKSGTLC-AQFXKWCLSA-N 358.482 3.523 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C(=O)NC(C)C 408598236 YHWKRHMPGMNRFD-UHFFFAOYSA-N 366.870 3.587 0 40 FHAB CCn1c(C(=O)N2CCN(Cc3ccccc3)CC2)cc2sccc21 37526517 SBODBXREGGSKBT-UHFFFAOYSA-N 353.491 3.681 0 40 FHAB CC[C@@H](C)N1C(=O)S/C(=C/c2c(C)nn(-c3ccccc3)c2O)C1=O 409010496 FEUIAJJBDHTQMH-HGLKBHAMSA-N 357.435 3.721 0 40 FHAB COc1ccc(-c2ccc(OC(=O)c3ccccc3F)nn2)cc1OC 408527842 CRNOWNXDGDJGRV-UHFFFAOYSA-N 354.337 3.519 0 40 FHAB O=C(O)c1cn(C(=O)COc2ccc(Br)cc2)c2ccccc12 218740771 KNCFBQJJLMQGHR-UHFFFAOYSA-N 374.190 3.821 0 40 FHAB Cc1nccn1-c1ccc(CNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 38757067 DPZLVTFOJFGSBZ-AWEZNQCLSA-N 369.852 3.918 0 40 FHAB CCOc1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 408707209 LFKHDLZCGFGDJO-UHFFFAOYSA-N 367.232 3.647 0 40 FHAB Cc1noc(C)c1CCC(=O)N1CCC(c2nc3c(s2)CCCC3)CC1 564876316 WTHOUGRTJFPFQK-UHFFFAOYSA-N 373.522 3.966 0 40 FHAB COc1ccc(OC)c(NC(=O)C2CCN(Cc3ccccc3F)CC2)c1 39749132 IQUZEIKGOVPZIR-UHFFFAOYSA-N 372.440 3.694 0 40 FHAB CN(C(=O)c1ccccc1NS(=O)(=O)c1ccccc1)C1CCCCC1 30865425 KFEWSDPWOYAHOA-UHFFFAOYSA-N 372.490 3.892 0 40 FHAB COc1ccc(NC(=O)CCc2nc(-c3ccccc3C)no2)c(OC)c1 225816093 SUYGHHDMJRKVML-UHFFFAOYSA-N 367.405 3.634 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 224656296 FQSUWXKRRWKJKG-IBGZPJMESA-N 366.505 3.789 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)NCCSCc1ccccc1 224386168 YOJUXVJCLQDOCE-UHFFFAOYSA-N 371.911 3.560 0 40 FHAB CN(c1cccc(C(=O)Nc2ccccc2)c1)S(=O)(=O)c1ccccc1 224252135 RBXNLAGQOXDKFC-UHFFFAOYSA-N 366.442 3.764 0 40 FHAB Cc1cccc(OCCNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 225122714 WFAMFTYLQVRYFI-QGZVFWFLSA-N 353.462 3.836 0 40 FHAB COc1ccc(OC(F)F)c(NC(=O)NCCc2cccc(F)c2)c1 40120572 RTNMCWRTJXJNET-UHFFFAOYSA-N 354.328 3.800 0 40 FHAB Cc1ccc(C)c(NC(=O)CCNC(=O)c2ccc3nc(Cl)oc3c2)c1 225979620 VEABBCUYXWVCEM-UHFFFAOYSA-N 371.824 3.857 0 40 FHAB CSCC[C@@H](C(=O)NCCc1c[nH]c2ccc(F)cc12)n1cccc1 575444015 PLTXFOLDHGEBAF-SFHVURJKSA-N 359.470 3.762 0 40 FHAB Cc1ccc(CN2C(=O)CC[C@H]2c2nc(-c3n[nH]c4ccccc34)no2)cc1 569886773 BQWJSOZROVNZOY-KRWDZBQOSA-N 373.416 3.785 0 40 FHAB COc1ccccc1NC(=O)c1ccc(C)cc1I 225011023 LTYBXHDUYGZEIX-UHFFFAOYSA-N 367.186 3.861 0 40 FHAB C[C@](N)(C(=O)Nc1cnc2c(c1)CCCC2)c1ccc(Br)cc1 571167162 MUVSYMBCERNPNE-GOSISDBHSA-N 374.282 3.536 0 40 FHAB CCCOc1ccccc1CCCNC(=O)c1ccc2c(c1)OCCO2 225402208 MMYXZPFIOASRTP-UHFFFAOYSA-N 355.434 3.609 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)NCCOc2ccc(C)c(Cl)c2)c1 224185366 RMPSUNKKCDBYHL-UHFFFAOYSA-N 353.871 3.623 0 40 FHAB CC(C)[C@H]1CN(S(=O)(=O)Cc2noc3ccccc23)c2ccccc21 584033429 ASWWAMCIDJQMKL-MRXNPFEDSA-N 356.447 3.917 0 40 FHAB CCCn1ncc(CN2C[C@@H]3CCC[C@](O)(c4ccc(F)cc4)[C@H]3C2)c1C 247853074 WQBSKAJHYXKTIA-HSQYWUDLSA-N 371.500 3.860 0 40 FHAB O=C(c1coc(CC2CC2)n1)N1CCC(OCc2ccccc2F)CC1 585079934 ITASNUYETCJTOU-UHFFFAOYSA-N 358.413 3.588 0 40 FHAB Cn1cncc1C(=O)Nc1nc(C2CC2)c(Cc2ccccc2F)s1 585084557 VYLCNYQFHYUUFS-UHFFFAOYSA-N 356.426 3.736 0 40 FHAB Cc1ccc(Nc2nc([C@H]3CCCN(Cc4ccnn4C)C3)cs2)nc1 257238480 HLDUUBAPBJSKTQ-HNNXBMFYSA-N 368.510 3.703 0 40 FHAB CN(C)Cc1cc([C@H]2CCCN2C(=O)C2CCC(F)(F)CC2)ccn1 257281846 ORFHSEBYDLBCNQ-QGZVFWFLSA-N 351.441 3.632 0 40 FHAB CC(C)(CNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CN)C1)C1=CCCCC1 627015514 SLOLWYIATGPJRD-DZGCQCFKSA-N 361.452 3.682 0 40 FHAB C[C@@H](Nc1ncnc2c1nnn2C)c1ccc(Oc2ccccc2)c(F)c1 1639309224 OLUVRAXHGMREGV-GFCCVEGCSA-N 364.384 3.863 0 40 FHAB O=C(Nc1ccccc1)Nc1ccc(-c2noc([C@@H]3[C@H]4COC[C@H]43)n2)cc1 664740756 LZKQUTIPXPCLDO-FVQHAEBGSA-N 362.389 3.740 0 40 FHAB Cc1nnc(CN2CC(C)(C)[C@H]2C2CCN(Cc3ccccc3)CC2)s1 664835781 HFMUDLQYRKSDHI-HXUWFJFHSA-N 370.566 3.969 0 40 FHAB COc1ccc(S(=O)(=O)NCc2ccc(-c3ccoc3)cc2)cc1C 390829085 CQWQVPFNSZHZBD-UHFFFAOYSA-N 357.431 3.742 0 40 FHAB CO[C@@H]1CCN(Cc2ccc(C(=O)O)cc2)C[C@H]1Cc1ccccc1F 585277096 SIXYXEQEWHQUJM-UYAOXDASSA-N 357.425 3.604 0 40 FHAB O=C(Cc1csc(-c2ccco2)n1)Nc1ccccc1-n1cccn1 47974118 ZLOSSFRNWUFPGN-UHFFFAOYSA-N 350.403 3.770 0 40 FHAB Cc1cc(N(C)Cc2nc(O)c3c(-c4ccccc4)csc3n2)n[nH]1 1659867701 AHYWRRNOBBFMNS-UHFFFAOYSA-N 351.435 3.732 0 40 FHAB Cc1c(C)n(C[C@@H](O)CN2CCc3ccccc3C2)c2ccc(F)cc12 12422010 OHVXYJFAJZYCHN-FQEVSTJZSA-N 352.453 3.816 0 40 FHAB O=C(Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1)NC1CC1 13715845 CUXMHQPMQREPKX-UHFFFAOYSA-N 362.351 3.779 0 40 FHAB CC(C)NC(=O)c1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1 14553725 PRGYFDPWLDIHTL-UHFFFAOYSA-N 354.450 3.966 0 40 FHAB Cc1nc(C)n(C[C@@H](C)C(=O)Nc2ccc(-c3ccc(F)cc3)cc2)n1 19285950 BLXIAUIVDOFFGH-CYBMUJFWSA-N 352.413 3.976 0 40 FHAB O[C@@H](COCc1ccccc1F)CN1CCC(Cc2ccccc2)CC1 2674987 NGHJLQJMRCYSPO-OAQYLSRUSA-N 357.469 3.658 0 40 FHAB CCCn1c(O)nnc1S[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 32901508 TURNYDOALUPDCE-SNVBAGLBSA-N 363.418 3.745 0 40 FHAB CN(CCCNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 34193760 BHCIMTGDWHCVDA-UHFFFAOYSA-N 373.305 3.798 0 40 FHAB Cc1cc2c(SCC(=O)Nc3ccc(N(C)C)cc3)ncnc2s1 4934771 BEOBITCDSQKQEY-UHFFFAOYSA-N 358.492 3.797 0 40 FHAB Cc1cccc(C(=O)N(c2cc(C)cc(C)c2)[C@H]2C=CS(=O)(=O)C2)c1 5082566 WTGMCLDMFHHWML-SFHVURJKSA-N 355.459 3.569 0 40 FHAB CCOc1ccc(-c2cccc(NS(=O)(=O)c3cccc(C)c3)c2)nn1 5204266 PLZIYUFHCQZJQJ-UHFFFAOYSA-N 369.446 3.652 0 40 FHAB Cc1ccccc1Cn1cccc(C(=O)Nc2ccc(F)cc2F)c1=O 5269183 PQWURIBJZIMRHK-UHFFFAOYSA-N 354.356 3.736 0 40 FHAB Cc1n[nH]c2c1[C@@H](c1ccccc1)N(CCc1c[nH]c3ccccc13)C2=O 13732724 YWUJOZQSVCTECZ-OAQYLSRUSA-N 356.429 3.987 0 40 FHAB FC(F)(F)c1ccccc1CN1CCN(Cc2cc(C3CC3)on2)CC1 2298048625 BVBPHIRFRPQPAI-UHFFFAOYSA-N 365.399 3.889 0 40 FHAB O=C1c2ccccc2N[C@@]2(C(=O)Nc3ccccc32)N1Cc1ccccc1 20636589 OUOYFJBSXWKQGT-JOCHJYFZSA-N 355.397 3.560 0 40 FHAB O=C(COc1ccccc1Cl)N1CCCC[C@H]1CCN1CCCCC1 21148655 ADBXCDZKAHPWCX-KRWDZBQOSA-N 364.917 3.976 0 40 FHAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)Nc1ccc(N2CCCC2)cc1 102430437 PVSXKTPCIFIBPD-WZGNDQMWSA-N 354.494 3.947 0 40 FHAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2ccccc2Br)CCC[C@H]1C 102405737 CLHVHCBOWZGBRI-XUJVJEKNSA-N 368.271 3.547 0 40 FHAB COc1cccc(-c2noc([C@@H]3CCCN(C(=O)CC(C)(C)C)C3)n2)c1 1360356 CCBXKKRMQDHAQH-OAHLLOKOSA-N 357.454 3.887 0 40 FHAB O=C(Nc1ccc(Cl)cn1)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 79075945 FEKQNECXLDUBMO-WMZOPIPTSA-N 367.840 3.982 0 40 FHAB O=C(NCCc1ccccn1)c1cc(-c2ccccn2)nc2ccccc12 79482728 XLCYZWOSUIWGOH-UHFFFAOYSA-N 354.413 3.664 0 40 FHAB CCc1nc(C)c(C(C)=O)c(SCC(=O)NC[C@H](C)c2ccccc2)n1 32905321 MKXKJUFKNLNNIN-ZDUSSCGKSA-N 371.506 3.562 0 40 FHAB CCOc1cc([C@@H]2N[C@H](C(=O)O)CS2)ccc1OCc1cccc(C)c1 3642602 WGTNRVFHDJIHAW-QFBILLFUSA-N 373.474 3.761 0 40 FHAB O=C(c1ccccc1Cl)N1N=C2CCCCC[C@@H]2[C@@]1(O)C(F)(F)F 4163599 LETUVIFYFAIFPM-XHDPSFHLSA-N 360.763 3.983 0 40 FHAB CCCCN(C[C@@H](O)CNc1cc(OC)cc2cccnc12)[C@@H](C)CC 4522424 RVIXLFBINVXPGJ-WMZOPIPTSA-N 359.514 3.917 0 40 FHAB CCSc1nnc(NC(=O)COc2ccccc2C(C)(C)C)s1 7278298 SUYFBODLJUNBKB-UHFFFAOYSA-N 351.497 3.965 0 40 FHAB COc1ccc(CNC(=O)Cc2csc(-c3cccc(C)c3)n2)cc1 8272504 NXDZICHMCYYGGU-UHFFFAOYSA-N 352.459 3.986 0 40 FHAB CC(C)OC(=O)c1ccc2nc(NC(=O)COc3ccccc3)sc2c1 8903728 PXRRMWNKWYXRAQ-UHFFFAOYSA-N 370.430 3.879 0 40 FHAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC[C@H](C)N1CCC[C@@H](C)C1 61600592 NVXGPWPUHQINDK-ZBFHGGJFSA-N 372.513 3.585 0 40 FHAB Cc1ccc(C)c(N2C(=O)C[C@H](Nc3ccc(Br)cc3)C2=O)c1 101079536 VHYMFNLMGBDYHG-HNNXBMFYSA-N 373.250 3.810 0 40 FHAB CCN1C(=O)[C@@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 915129 JQYAFHLZVZOUGV-JOCHJYFZSA-N 351.446 3.811 0 40 FHAB CC(=O)Oc1ccccc1C(=O)Nc1ccc(Br)cc1F 1097926 NAJKZGXHGNNPSS-UHFFFAOYSA-N 352.159 3.766 0 40 FHAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)SCc1ccccc1 23933606 WQSUCUGUINWBRL-MRXNPFEDSA-N 370.518 3.968 0 40 FHAB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCCC2)Nc1ccccn1 107974649 ZMXFXFVMUHYPHM-UHFFFAOYSA-N 368.384 3.500 0 40 FHAB O=C(Nc1cccc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)c1)NC1CC1 54831477 NENSCJRZPGAKPC-UHFFFAOYSA-N 367.434 3.674 0 40 FHAB COc1ccc(C(=O)Oc2cccc3c(OC)ccc(C=O)c23)cc1OC 1196504 GAWKWJXRSKOYBB-UHFFFAOYSA-N 366.369 3.897 0 40 FHAB Cc1cn(C/C=C/c2ccccc2)c(=O)n(C/C=C/c2ccccc2)c1=O 1109722 BZKWSKADOHUHRJ-VOMDNODZSA-N 358.441 3.745 0 40 FHAB Cc1c(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cnn1-c1ccc(F)cc1 24438679 MSBVJWKQHSTGEK-GFCCVEGCSA-N 355.335 3.734 0 40 FHAB O=C(Nc1ccccn1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 24581230 LCABHPLYIMQJJO-UHFFFAOYSA-N 365.458 3.899 0 40 FHAB O=C1Nc2ccccc2[C@@]12CCN[C@H]2c1ccc(F)c(Br)c1 61718190 VECHMBSCRWVRIG-DOTOQJQBSA-N 361.214 3.513 0 40 FHAB O=C(CNc1ncnc2scc(-c3ccccc3)c12)NCc1ccco1 9738780 CNYNXBQZUQNWJD-UHFFFAOYSA-N 364.430 3.680 0 40 FHAB CCCCc1ccc(C(=O)N2CCC(C(=O)Nc3ccncc3)CC2)cc1 24702492 KJTXYCRUIUTWPN-UHFFFAOYSA-N 365.477 3.915 0 40 FHAB CCc1cccc(N2C[C@H](C(=O)Nc3cccc(SC)c3)CC2=O)c1 24832618 KLTUURSRWISMGD-OAHLLOKOSA-N 354.475 3.963 0 40 FHAB Cc1ccc(-c2nnc(SCc3nc(N)c4ccccc4n3)n2C)cc1 12534104 NATZMLJTIYXAHC-UHFFFAOYSA-N 362.462 3.608 0 40 FHAB CCOc1ccc(Nc2ncccc2C(=O)Nn2cnc3ccccc32)cc1 12554283 VAYNCEOISGJMSK-UHFFFAOYSA-N 373.416 3.958 0 40 FHAB CCCCOC(=O)NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O 1612934 RUUBLZGOHNJKER-UHFFFAOYSA-N 358.177 3.766 0 40 FHAB CCCCCOC(=O)COc1ccc(N2C(=O)c3ccccc3C2=O)cc1 1778879 BTXAAZFVHRVDRI-UHFFFAOYSA-N 367.401 3.599 0 40 FHAB CCN(CC)C[C@@H](C)[C@@H](C)OC(=O)C(O)(c1ccccc1)c1ccccc1 1841028 FYKBYTUHWXJHBK-RTBURBONSA-N 369.505 3.832 0 40 FHAB CC(C)[C@@H](NCC(=O)NC(=O)Nc1ccccc1F)c1ccc(F)cc1 57830408 VUTSHHNHGZWZPQ-GOSISDBHSA-N 361.392 3.600 0 40 FHAB COC(=O)C1(c2ccccc2)CCN(C(=O)c2cccc(Cl)c2)CC1 48237748 YXQCLPNQWZPBGB-UHFFFAOYSA-N 357.837 3.687 0 40 FHAB C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1cccc(CN2CCCC2=O)c1 48290487 YKDIMFNMQBCLLQ-VQIMIIECSA-N 373.497 3.526 0 40 FHAB O=C(NCCc1ccco1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 10092604 WNGWDEXFQRIAJR-HXUWFJFHSA-N 361.397 3.706 0 40 FHAB CC(=O)N(C)c1ccc(NC(=O)c2cc(F)ccc2Br)cc1 58246039 MXMPXDLDKHOFKD-UHFFFAOYSA-N 365.202 3.823 0 40 FHAB O=C(CCn1ccnc1)Nc1cccc(C(=O)Nc2ccc(Cl)cc2)c1 58244709 ANOFSKMKWGZXJI-UHFFFAOYSA-N 368.824 3.818 0 40 FHAB O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc2nncn2c1 58224944 MMRNAFPAZBNYKR-UHFFFAOYSA-N 369.837 3.682 0 40 FHAB CC[C@@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(C)cc1 8735587 BZTPRRUOHZCEQW-LJQANCHMSA-N 365.477 3.567 0 40 FHAB O=c1c2c3c(sc2nc(NCCCO)n1-c1ccccc1)CCCCC3 2221224 OQDIFMANIQLUNT-UHFFFAOYSA-N 369.490 3.510 0 40 FHAB Cc1csc(=O)n1CC(=O)Nc1nc2c(Cl)c(Cl)ccc2s1 10917746 JRMUYQZWNNONQY-UHFFFAOYSA-N 374.274 3.773 0 40 FHAB CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc2c(c1)OCC(=O)N2 12766776 QBANPVRVCMKZGI-UHFFFAOYSA-N 365.216 3.597 0 40 FHAB CCOC(=O)c1ccoc1CSc1nccn1-c1cccc(OC)c1 11198741 OPDGSBSDOWZKTD-UHFFFAOYSA-N 358.419 3.943 0 40 FHAB CCOc1ccc(Oc2ccc(NC(=O)c3nccnc3N)cc2)cc1 11170122 JUBGZCMKOOMZNM-UHFFFAOYSA-N 350.378 3.502 0 40 FHAB Cc1ncc(CN(C)[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)s1 48325226 YPGQYGPBJRDVOC-HNNXBMFYSA-N 372.538 3.901 0 40 FHAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(C(C)C)cc2)cc1NS(C)(=O)=O 29428731 DTWIPXTWBRCDBG-HNNXBMFYSA-N 374.506 3.981 0 40 FHAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc2c(c1)OCCCO2 11761594 YJDFYGLWFJGETI-UHFFFAOYSA-N 367.430 3.927 0 40 FHAB O=C(NC1CC1)[C@H](NCc1ccccc1OC(F)(F)F)c1ccccc1 12877791 DQVATEFGWKGGGU-QGZVFWFLSA-N 364.367 3.695 0 40 FHAB O=c1c2ccccc2nc(CSc2nncs2)n1-c1ccc(F)cc1 12809786 MRDKZHZWSCJIQK-UHFFFAOYSA-N 370.434 3.669 0 40 FHAB Cc1ccc(/C=C/C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c(C)c1 12922747 ZUVHKUVDJVBYNW-NEQMZLFVSA-N 364.489 3.506 0 40 FHAB Cn1ncc2c(SCc3ccc(F)c(Br)c3)ncnc21 48620683 GORYJLBBYSFNNL-UHFFFAOYSA-N 353.220 3.557 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c(C)c1 409380483 FLBMAGKCVGZOMP-KRWDZBQOSA-N 374.506 3.713 0 40 FHAB CC(C)N1C(=O)[C@](O)(CC(=O)c2ccc(-n3cccc3)cc2)c2ccccc21 4122639 DZBHXBGFNDFBCX-QHCPKHFHSA-N 374.440 3.693 0 40 FHAB C[C@@H](Sc1nnc(-c2cccnc2)o1)C(=O)c1c[nH]c2ccccc12 6100165 YZTVEWQUJNZGKB-LLVKDONJSA-N 350.403 3.976 0 40 FHAB O=C(CSc1nc2c(n1-c1ccccc1)CCCC2)NCC(F)(F)F 5183546 WSRSXKYKSCXFTE-UHFFFAOYSA-N 369.412 3.522 0 40 FHAB Cc1ccc2nc(CSCc3nc4sc(C)c(C)c4c(=O)[nH]3)cn2c1 5254810 JWWUAFYVVCNXHR-UHFFFAOYSA-N 370.503 3.991 0 40 FHAB Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)c2ccc(F)c(F)c2)c(C)c1 5414693 HCQPBLPEAYUTGM-LBPRGKRZSA-N 374.416 3.921 0 40 FHAB C/C=C/C=C/C(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 6642359 WVWCBEBOTYOKNQ-MHCRVGIVSA-N 364.401 3.553 0 40 FHAB CCOC(=O)Cc1csc(S[C@H](C)C(=O)Nc2ccc(C)cc2)n1 6612781 PBGUVYVZDDVFKT-GFCCVEGCSA-N 364.492 3.676 0 40 FHAB O=C(CCc1nnc(-c2ccccc2)o1)NCCc1ccc(Cl)cc1 8942522 OIDZKFLWBKVLAW-UHFFFAOYSA-N 355.825 3.682 0 40 FHAB CCC[C@@H](C)NC(=O)COC(=O)c1c(C)n(C2CC2)c2ccc(OC)cc12 14802793 VXINEPIGPHWZBO-CYBMUJFWSA-N 372.465 3.755 0 40 FHAB CCCCC12CN3CC(C)(CN(C1)C3c1c[nH]c3ccc(OC)cc13)C2=O 19323535 OKJLXKYCWHGVED-UHFFFAOYSA-N 367.493 3.572 0 40 FHAB biogenic C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(=O)O)C(=O)N2CCC1=CCCCC1 4943239 ZVPCCAASSKLGPC-MDKPJZGXSA-N 355.434 3.702 0 40 FHAB COc1ccc(CN2CCCN(c3ncnc4sc(C)cc34)CC2)cc1 90069437 NKLRAHDISSWTRH-UHFFFAOYSA-N 368.506 3.721 0 40 FHAB Cc1c(C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)sc2ccccc12 9154309 ZGAAFPCXORGJII-UHFFFAOYSA-N 370.474 3.989 0 40 FHAB Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(C(F)(F)F)c1C(=O)O 68575272 WZIXWCFGCYJKKD-UHFFFAOYSA-N 373.640 3.965 0 40 FHAB in-vitro CN(Cc1ccc(Br)cc1)C(=O)/C=C/c1ccc2c(c1)OCO2 8292001 OWRCMHAFTHTJAB-WEVVVXLNSA-N 374.234 3.850 0 40 FHAB Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccc(C(=O)O)cc1 96759110 SKSRRBODYXZSSK-NTEUORMPSA-N 352.415 3.717 0 40 FHAB Cn1cc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cn1 9730039 BYPMQANNQUBCPL-UHFFFAOYSA-N 363.240 3.558 0 40 FHAB COc1ccc(-c2nn3c(-c4c(C)nn(C)c4C)nnc3s2)cc1Cl 95480030 JKOWXBZOZKAJGZ-UHFFFAOYSA-N 374.857 3.532 0 40 FHAB CC(C)c1nn(C)cc1CN1CCCN(CCCc2ccccc2)CC1 95453827 BOJLMDFJTFXRSD-UHFFFAOYSA-N 354.542 3.684 0 40 FHAB NC(=O)[C@@H](Sc1ccc(O)cc1)c1ccc(Br)cc1F 95961162 PFDLAKBQPAWQAB-ZDUSSCGKSA-N 356.216 3.613 0 40 FHAB CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cc(C)sc2C)cc1 24070834 AXRRWCCCZUBPQO-UHFFFAOYSA-N 366.508 3.648 0 40 FHAB CN1CCN(c2nnc(SCc3ccc(C(F)(F)F)cc3)s2)CC1 23139745 RVIYRJZESVWXJU-UHFFFAOYSA-N 374.457 3.601 0 40 FHAB CCS(=O)(=O)N1c2ccc(C(=O)Nc3ccc(C)cc3C)cc2C[C@H]1C 20448964 AQYRQIBPVUMMET-OAHLLOKOSA-N 372.490 3.656 0 40 FHAB CC(C)(C)SCCNC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38852206 ZCXMVFWGUKHAKZ-INIZCTEOSA-N 352.519 3.686 0 40 FHAB Cc1ncsc1CCC(=O)N1CCOC[C@@H]1c1nc2ccccc2s1 520533026 HFMCXNQFIIBPSO-CQSZACIVSA-N 373.503 3.594 0 40 FHAB Cc1cccc(Nc2cc(C)nc([C@@H]3CCCCN3C(=O)C(C)C)n2)n1 72383673 RHPFCHKHXDJJDI-INIZCTEOSA-N 353.470 3.942 0 40 FHAB Cc1ccc(CC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 78579588 KSSJZBRMQGHOLX-UHFFFAOYSA-N 355.825 3.900 0 40 FHAB CN(C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)[C@@H]1CCCc2ccccc21 32481266 GGDZANSSBCBUQD-QFBILLFUSA-N 366.436 3.715 0 40 FHAB CC(C)n1cc(C(=O)Nc2nc3c(s2)CCC3)c2ccccc2c1=O 72403220 MRPSCDZQWNDLER-UHFFFAOYSA-N 353.447 3.780 0 40 FHAB Cc1cc(OCC(=O)Nc2cccc(C)c2C)nc(N2CCC(C)CC2)n1 44169080 CHFHSRZWHZYQGT-UHFFFAOYSA-N 368.481 3.656 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)CCCC2 224331543 ZEZLHDRKXIYSBV-UHFFFAOYSA-N 366.461 3.723 0 40 FHAB Cc1cn2c(n1)[C@H](CNC(=O)C1(c3cc(F)cc(F)c3)CCCC1)CCC2 528886069 XUZOQJNWYIGRRU-HNNXBMFYSA-N 373.447 3.975 0 40 FHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1 225699676 HKWMZPXRHQGKRW-HXUWFJFHSA-N 352.478 3.561 0 40 FHAB O=C(NCc1ccccc1CN1CCCC1=O)c1ccc(Cl)cc1F 46738386 GGNIOOMLGFJBEC-UHFFFAOYSA-N 360.816 3.532 0 40 FHAB CC[C@H](C)[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)O 80359279 SBKQMWFYTHNZEP-ZUZCIYMTSA-N 366.870 3.622 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N[C@@H](C)C(C)C)c2)cc1 225229159 KCKPVHNTZXUHRZ-INIZCTEOSA-N 374.506 3.594 0 40 FHAB CCOCCOc1ncc(NC(=O)C2(OCC)CCC(C)CC2)cc1C 225901879 IKCBVEFDGKAVOY-UHFFFAOYSA-N 364.486 3.729 0 40 FHAB Cc1ccccc1CN1CCC[C@@]12CCCN(C(=O)c1cscn1)C2 96071332 JXIDFLMTHTZPRZ-HXUWFJFHSA-N 355.507 3.722 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 96344878 LDSTUERQORWFEH-LBPRGKRZSA-N 368.824 3.516 0 40 FHAB CCCCOc1ccc(/C=C(\C(=O)OC)c2ncccn2)cc1OCC 585079761 WJIYGCNAARWPNH-SSZFMOIBSA-N 356.422 3.768 0 40 FHAB COc1ccc(C[C@H]2CN(C(=O)c3ccc(C)s3)CC[C@@H]2OC)cc1 96110588 CGRTULFDHWLDRR-WMZOPIPTSA-N 359.491 3.785 0 40 FHAB C[C@H]1[C@@H](C)Sc2ccccc2N1C(=O)c1ncn(-c2ccccc2)n1 92869525 RMFVMJIAIGMWJV-UONOGXRCSA-N 350.447 3.797 0 40 FHAB Cc1cc(Nc2ncccn2)nc([C@H]2CCCCN2Cc2cscn2)n1 257243772 IIMLMYMGMPPCCJ-OAHLLOKOSA-N 367.482 3.502 0 40 FHAB Cn1cnc(CN2CCC[C@H]2c2cncc(Oc3ccc(Cl)cc3)n2)c1 257206423 BDICIADWNQGENH-SFHVURJKSA-N 369.856 3.993 0 40 FHAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)S1 260772322 NITPBPHDNPWEKE-NIKGAXFTSA-N 361.474 3.857 0 40 FHAB Cc1nn(C(C)C)cc1C(=O)N[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1 598506740 QDHHLIRBORZABR-OAQYLSRUSA-N 371.481 3.759 0 40 FHAB O=C(Nc1cnc(C2CC2)nc1)N1CCC(c2ccc3cccnc3n2)CC1 653970223 OSBGLZMKWMRBKT-UHFFFAOYSA-N 374.448 3.709 0 40 FHAB COc1ccc2ccccc2c1CNC(=O)N[C@H]1CCN(C(C)(C)C)C1 660272478 JACDKLURUYSVFJ-INIZCTEOSA-N 355.482 3.520 0 40 FHAB Cc1cnc(C2CCN(C(=O)N[C@H](C)c3csc(C)n3)CC2)s1 683355682 FQYUSGHXEJQDPF-LLVKDONJSA-N 350.513 3.867 0 40 FHAB CC(=O)Nc1cccc2c1CCN(C(=O)N[C@H](C)c1ccc(F)cc1)C2 56352481 VWYYJINRQOPDSL-CYBMUJFWSA-N 355.413 3.613 0 40 FHAB NCc1ccc(OC(F)(F)[C@H](F)OC(F)(F)F)c(Br)c1 98211090 PNFUEKLDBBYYTI-MRVPVSSYSA-N 368.071 3.711 0 40 FHAB CCn1ccc(C(=O)N2CCC[C@]23CN(c2ccc(F)cc2)C(C)(C)C3)n1 1615121135 MTHQVJKKCQXSQO-NRFANRHFSA-N 370.472 3.706 0 40 FHAB Cc1ccc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1C 5439691 CIQVPNIPCMXWDU-UHFFFAOYSA-N 372.490 3.794 0 40 FHAB Cc1ccc2nc([C@H]3CCCN(C(=S)NCc4ccco4)C3)[nH]c2c1 5988518 BOOXELNMRWMJBN-AWEZNQCLSA-N 354.479 3.718 0 40 FHAB CCC[C@@H](NC(=O)c1[nH]nc2c1CCCCC2)c1ccc2c(c1)OCCO2 12116934 STLCXPQTUPSERQ-MRXNPFEDSA-N 369.465 3.721 0 40 FHAB CC(C)(C)n1nc([C@@H]2CCCN(C(=O)c3ccccn3)C2)c2cccnc21 12219969 YSQXWJGKYVWSMZ-OAHLLOKOSA-N 363.465 3.601 0 40 FHAB COc1ccccc1C1(O)CCN(Cc2cn(C)c3ccc(F)cc23)CC1 12328480 BTFPOOSFGHBXQK-UHFFFAOYSA-N 368.452 3.810 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)Nc1ccccc1Br 14006543 HGRVXWATBGUVMT-LLVKDONJSA-N 350.212 3.864 0 40 FHAB Cc1cc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c(C)n1C1CC1 14142096 DOZIXJZJVSWEHA-UHFFFAOYSA-N 371.525 3.695 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)c1 14398764 QOGZGNSFKNZZTF-MRXNPFEDSA-N 354.450 3.787 0 40 FHAB Cc1ccc2[nH]c(C)c(CC(=O)N3CCCC[C@@H]3CN3CCCC3)c2c1 19220065 LMVQEDAHOTWMLQ-GOSISDBHSA-N 353.510 3.804 0 40 FHAB Clc1ccccc1CN1CCC[C@H](c2nnc(-c3cnccn3)o2)C1 19349043 VWKOQWXJHHMFEG-AWEZNQCLSA-N 355.829 3.560 0 40 FHAB CC[C@H](NC(=O)c1cc(-c2ccccc2OC)n[nH]1)c1ccc(OC)cc1 19500502 WRWFQEMJAHCLHE-KRWDZBQOSA-N 365.433 3.975 0 40 FHAB Cc1cc(C)cc(-n2ccc3nc4ncnn4c(-c4ccccc4)c3c2=O)c1 19960228 MPCCQXGTGNRCCG-UHFFFAOYSA-N 367.412 3.712 0 40 FHAB C/C=C/c1ccc(=O)n2c1[C@@H]1C[C@@H](CN(C(=O)Nc3ccc(C)cc3)C1)C2 5441150 LDOATZZBOXNBEM-NDIJEHHESA-N 363.461 3.841 0 40 FHAB biogenic,in-vitro O=C(NC(=O)C12CC3CC(CC(C3)C1)C2)NC(Cl)=C(Cl)Cl 2576632 IIASGFMLHJRUEV-UHFFFAOYSA-N 351.661 3.872 0 40 FHAB CN(C)C(=O)[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 6841684 NWAQGUOGXGXPCM-HNNXBMFYSA-N 352.217 3.980 0 40 FHAB O=C(CSc1c[nH]c2ccccc12)N1CCC(Oc2ccncc2)CC1 245173965 YECCKNZZGIOSLK-UHFFFAOYSA-N 367.474 3.725 0 40 FHAB CCOC(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 824807 BAYGKOSNXGKCAV-UHFFFAOYSA-N 364.184 3.971 0 40 FHAB COc1ccc(C)c2sc(NC(=O)c3ccc4c(c3)OCCO4)nc12 4264312 SIQVDCNTVXUKQE-UHFFFAOYSA-N 356.403 3.637 0 40 FHAB CCOc1ccccc1C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2 4505497 LVEMMEJOOAYGBC-UHFFFAOYSA-N 365.429 3.726 0 40 FHAB CCN1C(=O)CCc2cc(NS(=O)(=O)c3c(C)cc(C)cc3C)ccc21 17289147 QPEWKWUAWHDKNO-UHFFFAOYSA-N 372.490 3.712 0 40 FHAB Cc1ccc(OCCCn2c(CN3CCOCC3)nc3ccccc32)cc1 19939706 VPMBRSAMDBOCLH-UHFFFAOYSA-N 365.477 3.646 0 40 FHAB CCCCn1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1cccc(C)c1 101113608 IBDUFNUWTUMRPI-PTGBLXJZSA-N 350.422 3.571 0 40 FHAB CCOC(=O)N1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)ccc1OC 6463576 AIWZZJMVRYIGMV-IMFGXOCKSA-N 363.454 3.528 0 40 FHAB biogenic CC(C)[C@H](NS(=O)(=O)c1cccs1)c1ccc2c(c1)OCCCO2 30008088 GPZUHUZELOXVJV-KRWDZBQOSA-N 367.492 3.585 0 40 FHAB Cc1nc(S)sc1CC(=O)Nc1c(C)nn(-c2ccccc2)c1C 40017194 AYNXEJBEPLDWNF-UHFFFAOYSA-N 358.492 3.724 0 40 FHAB CCOc1ccccc1-c1nc(CC(=O)NCc2nc(C)cs2)cs1 40033922 SRTPBFPAOVXDEU-UHFFFAOYSA-N 373.503 3.833 0 40 FHAB Cc1ccc(C(=O)CCC(=O)OCCn2c(C)nc3ccccc32)s1 40157141 KACTVUXBUOUEIS-UHFFFAOYSA-N 356.447 3.921 0 40 FHAB CCSc1ccccc1NC(=O)NCc1ccc(-n2cccn2)nc1 40151898 JTXAVDKGGGXSHO-UHFFFAOYSA-N 353.451 3.701 0 40 FHAB CN(C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)c1ccccc1 40142952 CRXRNZFNPAJURX-UHFFFAOYSA-N 372.471 3.826 0 40 FHAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(COc3ccccc3)cc2)C1 40160561 PSFKQSFWZNSWQO-IBGZPJMESA-N 367.445 3.681 0 40 FHAB CCCCn1c(=O)c(C(=O)Nc2cccc(F)c2)c(O)c2ccccc21 100504404 YVPLENVXYFVYJC-UHFFFAOYSA-N 354.381 3.899 0 40 FHAB CCc1n(C[C@H](O)COc2ccc(C(C)C)cc2)c2ccccc2[n+]1C 889902 CBTSSZQMNDUFKB-SFHVURJKSA-N 353.486 3.592 0 40 FHAB Cc1noc(-c2ccccc2C(=O)Nc2ccc(Oc3ncccn3)cc2)n1 78877040 LTLLPQRWTQXBLC-UHFFFAOYSA-N 373.372 3.880 0 40 FHAB C[C@H](c1ccco1)N(C)C(=O)[C@H]1CCCN(c2ncnc3sccc23)C1 79494865 KWWQRCJZGNRPSS-KGLIPLIRSA-N 370.478 3.720 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1SCC(O)=Nc2[nH]ncc21 79484629 OQRIPZLMBLJAJN-MRXNPFEDSA-N 357.414 3.776 0 40 FHAB CC(C)c1ccsc1C(=O)NC1CCN(C(=O)c2ccccc2)CC1 53010242 JYSQZHPSGIMBGR-UHFFFAOYSA-N 356.491 3.906 0 40 FHAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)CSc1nnnn1-c1ccccc1 4829077 GZMSBOHTKFHPNA-USXIJHARSA-N 374.510 3.758 0 40 FHAB CCOc1cc(C[C@@H]2SC(=O)N(Cc3ccccc3)C2=O)ccc1OC 6960495 HTQXJONIYLRZGK-SFHVURJKSA-N 371.458 3.901 0 40 FHAB COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(N)cc3)cc2)cc1 7468455 DQJXUFNEQMMEQO-UHFFFAOYSA-N 361.401 3.782 0 40 FHAB Cc1cccc(-c2noc(CN(C)C(=O)COc3ccc(C)cc3C)n2)c1 7721113 NUIHQJLKRBRAAQ-UHFFFAOYSA-N 365.433 3.699 0 40 FHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)N[C@H](C)c2cccc(Cl)c2)cc1 46804755 FEJODCXNUXYXDX-OLZOCXBDSA-N 359.857 3.976 0 40 FHAB C[C@H](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccc(F)cc1F 22316236 ACAPZTXTBQIIDQ-GXTWGEPZSA-N 358.388 3.733 0 40 FHAB CCCc1nc(CS(=O)(=O)c2nccn2-c2cccc(C)c2)cs1 103620872 JUWULWAJCMEABJ-UHFFFAOYSA-N 361.492 3.564 0 40 FHAB O=C(COc1ccc(F)cc1Br)N1CCc2ccccc2C1 22622682 POAOVQLTPZWOKW-UHFFFAOYSA-N 364.214 3.552 0 40 FHAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)NC(C)C 8049965 YIPYZGVWMIKPFI-KRWDZBQOSA-N 370.449 3.630 0 40 FHAB COC(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1-c1ccccc1 8188679 QFEDLNVTHPHHBX-LBPRGKRZSA-N 357.410 3.727 0 40 FHAB CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cccc(N2CCCC2=O)c1 23601821 GJFMDZMMNMJBDF-UHFFFAOYSA-N 374.387 3.687 0 40 FHAB COc1ccc(C(C)=O)cc1CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 23764628 QCEWKMJHJHZJEY-LBPRGKRZSA-N 361.388 3.938 0 40 FHAB CCN1CCc2nc3ccccc3c(C(=O)Nc3nc(C)cs3)c2C1 24002177 DNQZHPPDSISMRT-UHFFFAOYSA-N 352.463 3.630 0 40 FHAB COc1ccc(S(=O)(=O)N(C2CCCC2)C2CC2)cc1Br 24687116 JZISINHWCCZHPI-UHFFFAOYSA-N 374.300 3.553 0 40 FHAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1nc(-c2cccnc2)cs1 12534027 PAINMZPESYXOJY-UHFFFAOYSA-N 369.494 3.856 0 40 FHAB CS(=O)(=O)Nc1cccc(CNc2ccnc3cc(Cl)ccc23)c1 55104420 FTSVWLDNXRMBCC-UHFFFAOYSA-N 361.854 3.872 0 40 FHAB O=C(NCc1cccc(Cl)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 105633356 BGJYONQAECMFHC-ZDUSSCGKSA-N 363.244 3.663 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cc(C(=O)OC)ccc1C 20454366 KNLZOALURIJKJD-SFHVURJKSA-N 357.406 3.586 0 40 FHAB COc1cc(Br)c(CN[C@@H](C)Cc2ccco2)cc1OC 35254502 DAUXPMSWOIGOCQ-NSHDSACASA-N 354.244 3.780 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(OC)c1 20049834 VPTGONRTJBIYTP-LSDHHAIUSA-N 370.449 3.630 0 40 FHAB COc1cccc([C@H](NC(=O)Nc2ccc(F)cc2F)c2nccn2C)c1 12604488 VETNAHRKXCGKBT-KRWDZBQOSA-N 372.375 3.618 0 40 FHAB O=C(CNC(=O)c1ccccc1Cl)Nc1ccc(N2CCCCC2)cc1 12632315 FSOKJSBDVXDBCN-UHFFFAOYSA-N 371.868 3.699 0 40 FHAB COc1ccccc1C(=O)OCC(=O)Nc1cccc(Cl)c1Cl 1972512 BVAHJAPLVCTRDY-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB C[C@@H](NC(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1)[C@H]1CCCO1 54509181 DMPPTTGUCBONOX-BXUZGUMPSA-N 368.359 3.580 0 40 FHAB COC(=O)c1ccc(Oc2cc(-n3cccn3)nc(-c3ccccc3)n2)cc1 58158977 INKXBUGSWMMTMG-UHFFFAOYSA-N 372.384 3.908 0 40 FHAB CC(=O)N(C)c1ccc(NC(=O)c2ccc(Br)cc2F)cc1 58201375 HXLJOOIZQBCESX-UHFFFAOYSA-N 365.202 3.823 0 40 FHAB COc1ccccc1NC(=O)COC(=O)c1cccc(C(F)(F)F)c1 3386223 BARYYQNFBHZIOE-UHFFFAOYSA-N 353.296 3.510 0 40 FHAB C[C@@H](Oc1ccc(F)cc1)C(=O)OCc1nnc(-c2ccc(F)cc2)o1 12734131 OUDROSGWQCCEFN-LLVKDONJSA-N 360.316 3.526 0 40 FHAB CCOC(=O)c1oc2ccccc2c1COC(=O)c1c(C)cc(=O)oc1C 12785467 KTJBIPMCTAPBEF-UHFFFAOYSA-N 370.357 3.537 0 40 FHAB CCc1ccc(NC(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)cc1 58343669 KOUBTGQCOATZAM-UHFFFAOYSA-N 372.513 3.877 0 40 FHAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccc(Cl)cc1 2397472 PYTVQRPZDABJCY-UHFFFAOYSA-N 371.828 3.853 0 40 FHAB CCS(=O)(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 11380131 LOZUOQKEOWJUNW-UHFFFAOYSA-N 357.353 3.751 0 40 FHAB C[C@@H](CC(=O)N(C)[C@H]1CCCc2ccccc21)NC(=O)c1ccccc1 29258024 OPTJUZHNZKJKML-JXFKEZNVSA-N 350.462 3.731 0 40 FHAB Cc1cc(Cl)ccc1NCC(=O)Nc1ccc(N2CCCC2=O)cc1 11617887 CZDAXKFHNPPHPW-UHFFFAOYSA-N 357.841 3.826 0 40 FHAB COc1cc(OC)c2c(=O)cc(-c3cc(OC)c(OC)c(OC)c3)oc2c1 2566193 GIKVSFNAEBQLGB-UHFFFAOYSA-N 372.373 3.503 0 40 FHAB biogenic,in-vitro Cc1ccc(Cn2nc(C)c3cc(C(=O)NC4=NCCS4)sc32)cc1 3452396 ZOBQYVKZBMPEPE-UHFFFAOYSA-N 370.503 3.596 0 40 FHAB CC1CCN(C(=O)[C@@H](C)Sc2nnc3sc4ccccc4n23)CC1 8710512 VIBUTAYPYHPHNT-GFCCVEGCSA-N 360.508 3.683 0 40 FHAB CCCc1ccc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1 12914815 HOIPMYNOHISUQY-UHFFFAOYSA-N 350.418 3.540 0 40 FHAB Cc1nc(NC[C@@H](CO)Cc2ccco2)c2c3c(sc2n1)CCCC3 24205903 FGPJKHPSBNJTFH-ZDUSSCGKSA-N 357.479 3.735 0 40 FHAB Cc1ccc([C@@H](OC(=O)c2ccc(S(C)(=O)=O)cc2)C(F)(F)F)cc1 12993675 LXJHRGRJTZUVSA-OAHLLOKOSA-N 372.364 3.859 0 40 FHAB CCCOc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1 3614002 WVFZXBCKBOTXQB-UHFFFAOYSA-N 353.462 3.954 0 40 FHAB biogenic COc1ccc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 5115278 XGHIRWNALBAUAL-UHFFFAOYSA-N 353.296 3.510 0 40 FHAB CC(=O)NCCc1ccc(-c2csc(NC(=O)C[C@H]3C=CCC3)n2)cc1 13987870 YROWHSDJRAZSES-INIZCTEOSA-N 369.490 3.784 0 40 FHAB CCCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)o2)c1C 5213943 CXBHVHSWZYYEBP-UHFFFAOYSA-N 356.451 3.935 0 40 FHAB COc1cc(C(=O)Nn2cnc3ccccc32)cc(Cl)c1OC(C)C 14015061 KDDFSTYXRDSHFF-UHFFFAOYSA-N 359.813 3.869 0 40 FHAB C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1cc(Cl)cc2c1OCOC2 65562523 UBZDVJPXAZTFDY-PXAZEXFGSA-N 372.852 3.574 0 40 FHAB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2ccc(Cl)cc2Cl)C[C@@H](C)O1 65564527 VNIYBCRUVVZKRS-NFAWXSAZSA-N 371.308 3.707 0 40 FHAB COc1cc(/C=C/C(=O)Nc2ccnn2CC(C)C)ccc1OC(F)F 14159666 RHIRVIVBJGGOMK-FNORWQNLSA-N 365.380 3.801 0 40 FHAB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)N1CCCc2ccccc21 14158695 UFEPAJJMBLDBLP-NSHDSACASA-N 360.508 3.572 0 40 FHAB CC(=O)Nc1ccc(N[C@H]2SC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 4513467 IJAIRKODWJXUMV-KRWDZBQOSA-N 369.446 3.900 0 40 FHAB CCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 4592887 ZTVSUNWOSNKKIZ-SLDRDFCHSA-N 355.434 3.708 0 40 FHAB CCCCNC(=O)C[C@@H](C)CC(=O)Nc1cccc(Br)c1 4691399 LEXWVIJAEJJBGS-GFCCVEGCSA-N 355.276 3.720 0 40 FHAB O=S(=O)(Oc1ccc2cc(Br)ccc2c1)N1CCCCC1 4666979 IVLUCAXCHJUAIV-UHFFFAOYSA-N 370.268 3.712 0 40 FHAB CC1(C)C[C@@](CCNCCCN2CCOCC2)(Cc2ccccc2)CCO1 6759586 OMMMTYVSSFZZFI-HSZRJFAPSA-N 374.569 3.507 0 40 FHAB Cc1cccc2sc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)nc12 4815915 SHRMTERRKWZXPA-LBPRGKRZSA-N 369.421 3.735 0 40 FHAB Cc1cc(S(=O)(=O)n2ccc3ccccc32)ccc1Br 5938184 PHKRRDGTORJGLH-UHFFFAOYSA-N 350.237 3.949 0 40 FHAB O=c1c2sccc2n(Cc2cccc(F)c2)c(=O)n1-c1cccc(F)c1 67258283 KVLRAHNMXIGPTM-UHFFFAOYSA-N 370.380 3.540 0 40 FHAB Cc1ccc(C(=O)N2CCC(NC(=O)NCCC3=CCCCC3)CC2)cc1 67359452 PEVJSQCGOVRHMY-UHFFFAOYSA-N 369.509 3.789 0 40 FHAB CC[C@@H](C)NC(=O)CSc1ncnc2c(-c3ccc(F)cc3)c[nH]c12 71328187 ZEOVMLNSTMYMIU-LLVKDONJSA-N 358.442 3.771 0 40 FHAB C[C@@H]1c2ccsc2CCN1C(=O)CCc1nc(-c2ccccc2)no1 7830486 UMRBXMXQKCOCBY-CYBMUJFWSA-N 353.447 3.877 0 40 FHAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)NCc1nc2ccccc2[nH]1 7942339 QEASDDSNQYDMII-UHFFFAOYSA-N 371.506 3.956 0 40 FHAB COc1ccccc1CNC(=O)c1ccccc1SC[C@H]1CCCO1 7921174 GMBMYYALSYOVMU-MRXNPFEDSA-N 357.475 3.896 0 40 FHAB CNC(=O)c1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1 7964618 YKHINSZCLWWSQQ-UHFFFAOYSA-N 360.413 3.801 0 40 FHAB CCCn1c(SCc2nc(CC)no2)nc2sc(CC)cc2c1=O 24837926 RALQJXSYZVQLQA-UHFFFAOYSA-N 364.496 3.668 0 40 FHAB C[C@H]1C[C@@H](Sc2nnc(Cc3cccs3)n2-c2ccccc2)C(=O)O1 8193458 GFFNJPORVFPYLP-SWLSCSKDSA-N 371.487 3.716 0 40 FHAB Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N1CCC(CCCO)CC1 96008221 WPJSMCLVPOAPME-VOTSOKGWSA-N 367.921 3.525 0 40 FHAB O=C1NC2(CCCCC2)C(=O)N1Cc1ncc(-c2ccc(Cl)cc2)o1 8326589 HJYHDHNLISCWMH-UHFFFAOYSA-N 359.813 3.750 0 40 FHAB COc1ccc(-c2nnc([C@H](C)Sc3nnnn3C3CCCC3)o2)cc1 8391635 FSJXDSPCOKZDOD-NSHDSACASA-N 372.454 3.700 0 40 FHAB CNC(=S)N1N=C(c2ccc(C)cc2)C[C@H]1c1cccc2nccnc12 72314590 DMUIJHGKXIXCTC-SFHVURJKSA-N 361.474 3.594 0 40 FHAB Cc1ccc(S(=O)(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)cc1 71924172 LHVOUQSAEZJGHR-UHFFFAOYSA-N 369.408 3.877 0 40 FHAB CCOc1cc(C(=O)Nc2nc(C)cs2)cc(Br)c1OC 9743063 LOSOKDYMLWGXEF-UHFFFAOYSA-N 371.256 3.874 0 40 FHAB C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccccc1N1CCCCCC1 84098336 BMSPFSCZPVWOJB-ROUUACIJSA-N 360.498 3.980 0 40 FHAB O[C@H](CN1CCC(CN2CCCCCC2)CC1)c1ccccc1Cl 72281281 RBUMBPPXGVCHNO-HXUWFJFHSA-N 350.934 3.961 0 40 FHAB Cc1cccc(NC(=O)CNc2ccccc2[C@H](O)C(F)(F)F)c1C 95464725 FWVMVQYKFVEFMZ-KRWDZBQOSA-N 352.356 3.950 0 40 FHAB CN(C)c1nc2cc(C(=O)Nc3cc(Cl)ccc3N(C)C)ccc2o1 89326637 WEGPWDUSNFZADZ-UHFFFAOYSA-N 358.829 3.866 0 40 FHAB O=C(Nc1ccccc1F)c1ccccc1NS(=O)(=O)c1ccccc1 409411451 XBASEQKAJUHKPG-UHFFFAOYSA-N 370.405 3.879 0 40 FHAB CC(C)c1nc2n(n1)C[C@H](NCc1c(Cl)cccc1N1CCCC1)CC2 89893735 ZLPNXMSSRCDJJT-OAHLLOKOSA-N 373.932 3.760 0 40 FHAB CS(=O)(=O)Nc1ccccc1C(=O)Nc1c(Cl)cccc1Cl 408579691 JQDBFMMVBQTXNA-UHFFFAOYSA-N 359.234 3.617 0 40 FHAB COc1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1Cl 409244488 DHZWIOGHVVHTJP-MHWRWJLKSA-N 356.809 3.750 0 40 FHAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)COc1ccc(OC)cc1 20036105 NACFOPOMXWVSCO-HOTGVXAUSA-N 357.450 3.609 0 40 FHAB CCCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc(F)cc2)s1 39989168 CVAIHSXNMDUBIH-GFCCVEGCSA-N 355.460 3.975 0 40 FHAB CC(C)(C)CN1CCC[C@H]1c1nc(-c2ccc(-n3ccnc3)nc2)no1 35425767 MPXGFVCQYMYNSL-HNNXBMFYSA-N 352.442 3.500 0 40 FHAB biogenic,in-vitro CN(Cc1ccc([S@](C)=O)cc1)C(=O)N[C@H](c1ccccn1)C1CCC1 528174359 KXDDKMJPPHDFBI-SIBVEZHUSA-N 371.506 3.502 0 40 FHAB O=C(CSc1nc2ccccc2n1Cc1ccc(F)cc1)NC1CC1 35289685 WPRAQRNRFMNYQD-UHFFFAOYSA-N 355.438 3.594 0 40 FHAB Cn1nccc1C(=O)N1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 72350039 ROAOVWXSXFJUOQ-INIZCTEOSA-N 364.424 3.641 0 40 FHAB COc1ccc(NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1OC 39754544 VHDHYEINCVRVKZ-UHFFFAOYSA-N 368.477 3.863 0 40 FHAB Cc1ccc(CNc2ncnc3c2nnn3Cc2ccccc2Cl)cc1 35314897 WZTANQUVLPXFOL-UHFFFAOYSA-N 364.840 3.844 0 40 FHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1F 225719696 CTQFQFTZBHCRGF-HXUWFJFHSA-N 370.468 3.700 0 40 FHAB Cc1ccccc1NC(=O)Cn1ccc(=O)c2cc(Br)ccc21 225727126 IXSLBBFDKWICNM-UHFFFAOYSA-N 371.234 3.711 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1 225702263 NMBDLKWCQPBCQL-UHFFFAOYSA-N 362.476 3.753 0 40 FHAB CCc1cccc(C)c1NC(=O)CSc1nc2nc(C)c(C)c(C)n2n1 40119254 VXCUZMZIRZKQBQ-UHFFFAOYSA-N 369.494 3.651 0 40 FHAB CN(C)[C@@H](CNC(=O)c1ccc(Cl)s1)c1cn(C)c2ccccc12 75149183 FKOUPLXUYHTENY-HNNXBMFYSA-N 361.898 3.926 0 40 FHAB CC(C)(C)NC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCC2)n1 225894201 QAWWQPFGMKFGAG-UHFFFAOYSA-N 371.510 3.954 0 40 FHAB COc1cc(/C=C/C(=O)O[C@H](C)c2cccc(NC(C)=O)c2)cc(OC)c1 48353906 RAXNGEQKKOSDFU-MYSGNRETSA-N 369.417 3.980 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccccc1Cl 224447557 UDBLGTDOUOPVOR-MRXNPFEDSA-N 351.805 3.832 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 223091896 MUQMBIGXZYBCKC-NRFANRHFSA-N 366.505 3.708 0 40 FHAB C[C@H]1C[C@H](Nc2ncnc3cc(F)c(Br)cc23)c2nccn21 574248197 VPRZJNQETCYCAN-SDBXPKJASA-N 362.206 3.846 0 40 FHAB Cc1cccc(CN(C(=O)Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)c1 225515605 WZHXFMNWBSURFX-LJQANCHMSA-N 366.505 3.788 0 40 FHAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C)cc1 223768332 JTIBLEACBIPANT-OALUTQOASA-N 364.474 3.606 0 40 FHAB COc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccc(F)cc3)s2)cc1 224151461 HCIZZUGIOKRBQC-NSHDSACASA-N 373.409 3.759 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 223833402 OEBVHRWQESVSCH-KRWDZBQOSA-N 370.468 3.538 0 40 FHAB CCCN(CC)C(=O)c1cc2c(c3ccccc3n2C)n1-c1ncccn1 96146334 ZQVKLFMJOMBHLT-UHFFFAOYSA-N 361.449 3.784 0 40 FHAB COc1ccc(CNC(=O)N[C@@H](C)Cc2cc3ccccc3o2)cc1OC 253470831 ABBSSZNNEBQQGT-AWEZNQCLSA-N 368.433 3.880 0 40 FHAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(Cc2sccc2C)C3)n1 253599857 VNHASUKWPRDTJY-GOSISDBHSA-N 358.507 3.710 0 40 FHAB CN1CCC(Cc2cccc(N3C(=O)OC[C@H]3Cc3ccccc3)n2)CC1 257314452 UXAIXYQBRLBFEK-HXUWFJFHSA-N 365.477 3.534 0 40 FHAB CO[C@@H]1CCC[C@H](C(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)C1 629620998 HNMMZBOHXOEMFG-WCQYABFASA-N 352.837 3.824 0 40 FHAB COc1cccc2c1[C@@H](C(=O)Nc1cc(Cl)ccc1-n1cncn1)CC2 1264171594 OZGSRLXGAUGHGX-AWEZNQCLSA-N 368.824 3.598 0 40 FHAB Cc1ccc(OC[C@@]2(O)CCCN(Cc3ccc4nc[nH]c4c3)CC2)cc1 585271402 YCRSAZOGAKLBMJ-JOCHJYFZSA-N 365.477 3.667 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccc(C)cc2[nH]1 5357752 BFCOEMSFYVALTP-UHFFFAOYSA-N 369.446 3.779 0 40 FHAB O=C(CN1CCCc2ccccc21)Nc1ccc(OC(F)(F)F)cc1 5687550 VCHAHTZELVKFBK-UHFFFAOYSA-N 350.340 3.977 0 40 FHAB Cc1ccc2[nH]c3nc(SCC(=O)N4[C@H](C)CCC[C@H]4C)nnc3c2c1 5750987 IZLKAESYOUOWKE-CHWSQXEVSA-N 369.494 3.696 0 40 FHAB Cc1cc(C)cc(C(=O)Nc2cccc(C(=O)NCC(F)(F)F)c2)c1 11447533 MDBYYKZJDGIYTK-UHFFFAOYSA-N 350.340 3.848 0 40 FHAB Cc1ccc2n1CCN(C(=O)c1cc3c([nH]c1=O)CCCCC3)[C@H]2C(C)C 12290525 DGZMUPIGVZJSSD-FQEVSTJZSA-N 367.493 3.607 0 40 FHAB CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1 12604857 NHQUZKNIRPJURH-UHFFFAOYSA-N 360.479 3.586 0 40 FHAB O=C(c1ccc(NC(=S)NCc2ccccc2)cc1)N1CCCCC1 13748622 SEENWBBLQRCHPI-UHFFFAOYSA-N 353.491 3.799 0 40 FHAB Cc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3CC3CCCCC3)n2)cc1F 15674304 NEWHUAQVOMGPMG-AEFFLSMTSA-N 359.445 3.872 0 40 FHAB biogenic,in-vitro Cc1cccc(OCC(=O)NC[C@@H](c2ccc(C)o2)N2CCCCC2)c1 15860184 MXVHZLGCVARROQ-IBGZPJMESA-N 356.466 3.619 0 40 FHAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](CC(C)C)[C@@H]3C2=O)c1 18055917 KBXOHNGGERDOMT-AABGKKOBSA-N 364.445 3.720 0 40 FHAB CC(C)(C)C(=O)N[C@H](c1ccccn1)C1CCN(Cc2ccccn2)CC1 19082083 QTKBKTVCQVGVPY-FQEVSTJZSA-N 366.509 3.592 0 40 FHAB Cc1noc2nc(C3CCN(C(=O)[C@@H]4C[C@H]4C)CC3)cc(C(F)(F)F)c12 19564528 LWOPAZZMHJFVIH-BXKDBHETSA-N 367.371 3.912 0 40 FHAB CC(C)NC(=O)c1cccnc1[C@H]1CCCN(C(=O)CC2CCCCC2)C1 19709398 DWYOGPCRROAVAI-SFHVURJKSA-N 371.525 3.896 0 40 FHAB O=C(c1cnc(-c2ccccc2)[nH]c1=O)N1CCC(Cc2ccccc2)CC1 19937277 NWJJKUSNBCQTLM-UHFFFAOYSA-N 373.456 3.532 0 40 FHAB FC(F)(F)c1cccc(CN2CCC[C@@H](COc3ncccn3)C2)c1 1888863713 ZQMHLGRHRUKGDH-OAHLLOKOSA-N 351.372 3.786 0 40 FHAB CSc1ncccc1C(=O)NC[C@H](O)c1cc(-c2ccco2)cs1 1888941635 NYORWYAWDCPJME-ZDUSSCGKSA-N 360.460 3.588 0 40 FHAB CC(C)(C)c1cc(C(=O)NC[C@@H]2CCCOC2)n(Cc2ccc(F)cc2)n1 2037845943 OJIJUAGSDXNCDP-INIZCTEOSA-N 373.472 3.524 0 40 FHAB O=C(OC1CCCC1)N1CCC([C@@H]2CCCCN2C(=O)C2(F)CC2)CC1 2056226779 ZSIHWACHVGSOAD-KRWDZBQOSA-N 366.477 3.661 0 40 FHAB O=C(Nc1ccccc1Cl)c1cccn(Cc2cccc(F)c2)c1=O 5268745 FXUDAJKZNYWAMQ-UHFFFAOYSA-N 356.784 3.941 0 40 FHAB COc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CCC3)cc1 5252269 FRUNNLGXKBDDJS-UHFFFAOYSA-N 350.418 3.637 0 40 FHAB COc1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c1 9137661 ZEUQDPNHRZMKDR-UHFFFAOYSA-N 352.434 3.883 0 40 FHAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)CCC(=O)N2 9827773 OILWKEJEEKWORU-UHFFFAOYSA-N 365.216 3.896 0 40 FHAB CCCCOc1ccc(C(=O)N2c3ccccc3C[C@H]2C(=O)NCC)cc1 10256021 PJRXGIJMIOEFCF-FQEVSTJZSA-N 366.461 3.573 0 40 FHAB COc1ccc(Nc2nn3c(=O)c4ccc(Cl)cc4nc3s2)cc1 16840475 VNCWLEBMNRECLI-UHFFFAOYSA-N 358.810 3.710 0 40 FHAB COc1cnccc1C(=O)N1CCC2(CC1)C[C@@H](OC)c1ccc(C)cc12 2055812483 UKFHMDAZNPHRCE-LJQANCHMSA-N 366.461 3.664 0 40 FHAB O=S(=O)(NCc1cc(-c2ccco2)cs1)c1c(F)cccc1F 1775968838 NCMCLENAIHFTKO-UHFFFAOYSA-N 355.387 3.765 0 40 FHAB O=C(NCCC1=CCCCC1)C(=O)NCCc1ccc(-c2ccco2)s1 2086896798 HGBATRWZFBDMOW-UHFFFAOYSA-N 372.490 3.674 0 40 FHAB CC(C)CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1cccnc1 4148624 TXXDKVSRGPBDGS-DFBJGRDBSA-N 362.410 3.805 0 40 FHAB CCc1cccc(-n2nnc(-c3nc(-c4ccc(Cl)cc4)no3)c2N)c1 4313526 VXEIBDSPOYZCFQ-UHFFFAOYSA-N 366.812 3.782 0 40 FHAB Cc1ccc(C)c(OCCC(=O)NCc2ccc(N3CCCC3=O)cc2)c1 10454707 IJXXJQPXROTFJF-UHFFFAOYSA-N 366.461 3.516 0 40 FHAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C1CCN(C(=O)C(C)(C)C)CC1 40007834 DKOCHHBLXFZCDA-UHFFFAOYSA-N 374.569 3.946 0 40 FHAB Cc1ccccc1-c1noc(CSCC(=O)NCc2cccs2)n1 31423101 DIADGMPWGCXOLQ-UHFFFAOYSA-N 359.476 3.656 0 40 FHAB O=C(O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@H]1C(=O)Nc1cc(Cl)ccc1Cl 102093561 NESGGQJUKXNZIS-BRFGJLLKSA-N 352.217 3.701 0 40 FHAB O=C(O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)Nc1cccc(Cl)c1Cl 102093078 PYCJIFWLYSFSQI-NHFFVENSSA-N 352.217 3.701 0 40 FHAB Cc1cccc(C(=O)N[C@@H](C(=O)N2CCC[C@H](C(F)(F)F)C2)C(C)C)c1 32721295 ZJHHXACZILTJCW-JKSUJKDBSA-N 370.415 3.550 0 40 FHAB Fc1ccc([C@H]2CN(Cn3nc(C4CC4)n(C4CC4)c3=S)CCO2)cc1 29895910 IJVFACFQRRKQMB-QGZVFWFLSA-N 374.485 3.796 0 40 FHAB Cc1nc(Cc2nnc(S[C@H](C)c3nc(C(C)C)no3)o2)cs1 46569327 DCTRDBLVZMUCCM-MRVPVSSYSA-N 351.457 3.785 0 40 FHAB O=C(NC[C@@H]1CCCO1)c1sc(N2CCCCC2)nc1-c1ccccc1 2705632 ICPDYRHGDXIXMU-INIZCTEOSA-N 371.506 3.709 0 40 FHAB CCN(CC)CC[C@@](O)(Cc1ccccc1)[C@H](C(=O)O)c1ccccc1 1681789 ALJWAWZTLYHUER-RBBKRZOGSA-N 355.478 3.561 0 40 FHAB O=C(CCc1nc2ccccc2[nH]1)Nc1n[nH]c(-c2ccc(Cl)cc2)n1 79493015 RMLGVTXXWVSARC-UHFFFAOYSA-N 366.812 3.573 0 40 FHAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1Cl 32922938 TXEPPRFCLZMZRM-UHFFFAOYSA-N 374.824 3.803 0 40 FHAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1c(F)cccc1Cl 3600568 ZONFUBILOAIPKU-LJQANCHMSA-N 358.800 3.763 0 40 FHAB CC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1 3620237 USWQFVYITMECPS-UHFFFAOYSA-N 366.200 3.992 0 40 FHAB COc1ccc(C2(O)CCN(CCCCOc3ccccc3)CC2)cc1 4967523 JNIDCDDMCZGKCX-UHFFFAOYSA-N 355.478 3.838 0 40 FHAB C[C@@H](OC(=O)COc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1 6030057 BFZHTQRXSQNGAQ-OAHLLOKOSA-N 355.434 3.933 0 40 FHAB C[C@H](NC(=O)CN1CCc2sccc2C1)c1ccc2c(c1)CCCC2 22277687 NQWJHGNAXZJLGP-HNNXBMFYSA-N 354.519 3.862 0 40 FHAB CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCC2)cc1 823596 GGTVGGMAAGVBKQ-LJQANCHMSA-N 372.465 3.979 0 40 FHAB COc1ccc(C(=O)COC(=O)c2cccs2)cc1Br 991681 BCAYDCMHEQBXKM-UHFFFAOYSA-N 355.209 3.559 0 40 FHAB O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2)c1ccco1 1036252 NBPHOOWCEIMJDD-UHFFFAOYSA-N 364.357 3.555 0 40 FHAB CC[C@@H](C)CCCNc1nnc(SCC(=O)NC2CCCC2)s1 3296587 JHRHSMFMUDKAKL-GFCCVEGCSA-N 356.561 3.927 0 40 FHAB CCOC(=O)c1ccsc1NC(=O)CN1CCC[C@H]1c1cccs1 24841668 ZSRIRBNKVNDKDE-ZDUSSCGKSA-N 364.492 3.762 0 40 FHAB Cc1noc(CSc2ccc(C(=O)NCc3ccccc3F)cc2)n1 24926264 CINFVPIICWDYDF-UHFFFAOYSA-N 357.410 3.739 0 40 FHAB Cc1cc2nn(-c3ccccc3)nc2cc1NS(=O)(=O)c1ccccc1 20610940 NLOLAUAVRAEREG-UHFFFAOYSA-N 364.430 3.530 0 40 FHAB COc1ccccc1[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)N1CCCCC1 107135009 RMXACZLFLZOSLX-RAUXBKROSA-N 356.510 3.775 0 40 FHAB O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1cccc2cn[nH]c12 56365844 GGBOAXKLSWOTTL-UHFFFAOYSA-N 369.852 3.695 0 40 FHAB CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(C)c(S(C)(=O)=O)c1 44331142 OFLJVNPOFAMCRM-INIZCTEOSA-N 359.491 3.839 0 40 FHAB CC(C)[C@H](NC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1cccs1 26802972 PIHDIGHDDDBZQG-SFHVURJKSA-N 355.463 3.744 0 40 FHAB Cc1ccc(-c2csc(NC(=O)[C@@H](C)OC[C@@H]3CCCO3)n2)c(C)c1 58003415 DYEDPXJWRSGUEU-CABCVRRESA-N 360.479 3.950 0 40 FHAB CCCCOC(=O)c1ccc(OC(=O)c2c(OC)cccc2OC)cc1 2069703 RHKFPNCWZZCTQQ-UHFFFAOYSA-N 358.390 3.880 0 40 FHAB CN(C)c1ccc(C(=O)OCC(=O)c2ccc(Br)s2)cc1 3300156 CYHSVVBFSVEBPP-UHFFFAOYSA-N 368.252 3.616 0 40 FHAB C[C@H]1CCc2ccccc2N1CC(=O)Nc1cc2c(cc1Cl)OCCO2 10053717 OOHXUAXVNQWTKJ-ZDUSSCGKSA-N 372.852 3.891 0 40 FHAB COc1ccc(C2=C/C(=C3/N=C(C)OC3=O)c3ccccc3O2)cc1OC 2131073 RJYXBEMFKLZCCX-HKWRFOASSA-N 363.369 3.824 0 40 FHAB biogenic COc1cc(-c2ccccc2)sc1C(=O)NCc1cn2c(n1)CCCC2 58332588 FCCCKHBDTPOGOR-UHFFFAOYSA-N 367.474 3.887 0 40 FHAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2cc(F)cc(F)c2)cc1 10665616 UBJFFVYBSYYBQJ-UHFFFAOYSA-N 360.389 3.833 0 40 FHAB Cc1cc2ccccc2n1CC(=O)O[C@H](C)C(=O)Nc1cccnc1Cl 10622310 MMZHBBAYPDJKJR-CYBMUJFWSA-N 371.824 3.569 0 40 FHAB O=C(CNc1ccc(NC(=O)C2CC2)cc1)Nc1cc(Cl)ccc1F 10943073 GKRLGKVMQBNULX-UHFFFAOYSA-N 361.804 3.878 0 40 FHAB COc1ccc(SCCC(=O)Nc2cccc(N3CCCC3=O)c2)cc1 28691989 NMWPMNONDNSSRY-UHFFFAOYSA-N 370.474 3.943 0 40 FHAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc2ncsc2c1 48325617 CIDRQUAIYUMKOH-INIZCTEOSA-N 355.463 3.846 0 40 FHAB O=C(NCCCc1nc2ccccc2s1)c1cc2ccccc2oc1=O 11176436 ZCFPSSYTMPOZQP-UHFFFAOYSA-N 364.426 3.765 0 40 FHAB CCc1cccc(N2C[C@@H](C(=O)N[C@H](C)c3ccc(F)c(F)c3)CC2=O)c1 12825041 LDSUPPYBPLEIGR-CJNGLKHVSA-N 372.415 3.758 0 40 FHAB CCN(C(=O)CSc1nnc(-c2ccc(C)cc2)n1C)C1=CCCC1 12856502 WBVMKWNXRZTTAA-UHFFFAOYSA-N 356.495 3.799 0 40 FHAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1)[C@@H]1Cc2ccccc2O1 12918711 ZQNRGLFRLMKEGY-KRWDZBQOSA-N 353.809 3.527 0 40 FHAB COc1ccc(COc2ccc(C(=O)O)cc2OC)cc1Br 13420409 JRAHNORYUWPTRB-UHFFFAOYSA-N 367.195 3.744 0 40 FHAB CC(C)(C)c1ccc(C(=O)Nc2ccc(OCCn3cncn3)cc2)cc1 4108852 DQHWFMZBOBEIDE-UHFFFAOYSA-N 364.449 3.907 0 40 FHAB CN1CCN(c2ccc(NC(=O)Cc3cccc4ccccc34)cc2)CC1 5089649 YSRXUDIWBAYSQS-UHFFFAOYSA-N 359.473 3.773 0 40 FHAB CN1CCn2c(nc3cc(NC(=O)c4ccc(-n5cccc5)cc4)ccc32)C1 13722823 PQOVXASLCULLCF-UHFFFAOYSA-N 371.444 3.525 0 40 FHAB CC(=O)NCCc1nc2ccccc2n1CCCCOc1cccc(C)c1 4385690 HVFOAAWRTNJWKA-UHFFFAOYSA-N 365.477 3.883 0 40 FHAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)N(C)Cc1cccs1 5244418 IQLHWBXRRNJWEO-UHFFFAOYSA-N 370.430 3.527 0 40 FHAB COc1ccc2[nH]cc(CCNC(=O)CCCOc3ccccc3)c2c1 4487701 XNWLLLBLRNXZDB-UHFFFAOYSA-N 352.434 3.694 0 40 FHAB CNC(=O)c1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)cc1 14137245 CPNKFYJCIMDSNG-UHFFFAOYSA-N 351.431 3.730 0 40 FHAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 5535080 XZTUSOXSLKTKJQ-APYKUEBJSA-N 374.521 3.604 0 40 FHAB biogenic COc1cc(OC)c(OC)cc1CNC(=O)/C=C/c1ccc(Cl)s1 14523311 BDJNHAFLGYXNKS-FNORWQNLSA-N 367.854 3.757 0 40 FHAB COc1cc(/C=C/c2nc3ccccc3c(=O)[nH]2)cc(Br)c1O 6618215 YXJCCBPUJNOIPM-VOTSOKGWSA-N 373.206 3.570 0 40 FHAB O=C(Nc1ccc(-c2nn3cnnc3s2)cc1)c1ccc(Cl)cc1 4733426 ANYVURCYLGBKFA-UHFFFAOYSA-N 355.810 3.759 0 40 FHAB COc1ccc(OC)c(CN[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1 26312504 BIMBJBACSPCQAK-OAQYLSRUSA-N 357.450 3.962 0 40 FHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CCc1c[nH]c2ccccc12 15095579 HSUFTPPJEJSKHQ-MRXNPFEDSA-N 373.460 3.901 0 40 FHAB O=c1[nH]c(/C=C/c2ccc3c(c2)OCO3)nc2sc3c(c12)CCCC3 5827050 WTXXZHAMMSXUMQ-SOFGYWHQSA-N 352.415 3.763 0 40 FHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 4988589 HXQNGZZDBVIKLU-UZLBHIALSA-N 368.429 3.981 0 40 FHAB COc1ccc(CN(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 5936081 KDFSRMMSTWJIPQ-UHFFFAOYSA-N 352.356 3.785 0 40 FHAB O=C(Cn1cnc2sc3c(c2c1=O)CCC3)c1ccc(Cl)s1 7384468 LOMPQGHIADEFKQ-UHFFFAOYSA-N 350.852 3.545 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(OC)c2ncccc12 15840633 KSUDECQRYWBFPY-CYBMUJFWSA-N 352.390 3.658 0 40 FHAB COc1ccc2c(c1)c1nnc(SC)nc1n2Cc1ccccc1F 9061031 BFPGEXWBTCJMTF-UHFFFAOYSA-N 354.410 3.897 0 40 FHAB CSc1ccc(NS(=O)(=O)c2cc(C(=O)O)cc(C)c2C)cc1 7745946 LFWZEKXWMRXSSJ-UHFFFAOYSA-N 351.449 3.524 0 40 FHAB Cc1cccc(N2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)c1 16279228 QNCGLUMCVZFMMY-UHFFFAOYSA-N 364.367 3.856 0 40 FHAB O=C(CSc1ncnc2ccsc12)NCCc1c[nH]c2ccccc12 8935447 BRMSQQHRAUSWEV-UHFFFAOYSA-N 368.487 3.624 0 40 FHAB CCc1ccc(OCc2nnc(NC(=O)COc3ccccc3)s2)cc1 8914520 SASCWYBFEVFGHA-UHFFFAOYSA-N 369.446 3.697 0 40 FHAB CCc1ccc(S(=O)(=O)N(C)[C@@H](Cc2ccccn2)C(C)(C)C)cc1 72307435 YZSOTAPFJIKEBP-IBGZPJMESA-N 360.523 3.922 0 40 FHAB CN1C(=O)N/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O 409191300 UXOLFJSQFGOGOF-LICLKQGHSA-N 365.820 3.866 0 40 FHAB O=C([C@@H](Nc1ccc(N2CCCC2=O)cc1)c1ccccc1)N1CCCC1 9218530 FSPDREDTSMDHAF-NRFANRHFSA-N 363.461 3.589 0 40 FHAB CCNC(=O)c1cccc(NC(=O)/C=C/c2ccc(OC)c(Cl)c2)c1 9314922 DJUXXUUVVCWHLC-CSKARUKUSA-N 358.825 3.750 0 40 FHAB CCc1c(C(=O)Nc2ccc(OC(F)F)cc2)nnn1-c1ccccc1 19910917 NQHFPRCDISXAIV-UHFFFAOYSA-N 358.348 3.683 0 40 FHAB CCCCOc1cccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c1 19929053 AMVXBSSSRZFMBR-UHFFFAOYSA-N 368.477 3.950 0 40 FHAB C[C@H]1CCCC[C@H]1OCCNC(=O)c1cc2sc(N(C)C)nc2s1 84692047 XXFKRAPMCPIUBX-NWDGAFQWSA-N 367.540 3.749 0 40 FHAB CCOc1ccc(C(=O)N(C)C)cc1NC1CCN(c2ccccc2)CC1 95457174 QMHMSKFXEPCAGX-UHFFFAOYSA-N 367.493 3.868 0 40 FHAB CCOC(=O)c1cc(NS(=O)(=O)Cc2cccc(C)c2)ccc1Cl 20490247 JWIGVEMJYWMTNK-UHFFFAOYSA-N 367.854 3.767 0 40 FHAB COc1cc(NC(=O)C(C)C)c(C(=O)OCc2ccccc2C)cc1OC 9922724 GXKNXXQUIQLAIK-UHFFFAOYSA-N 371.433 3.964 0 40 FHAB COc1ccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3C)cc2)cc1OC 75106427 ZTJXHESDRZVNEO-CQSZACIVSA-N 365.433 3.689 0 40 FHAB Cc1noc(C)c1N(C)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 75109170 PUIAOWYAPBODLF-UHFFFAOYSA-N 362.817 3.505 0 40 FHAB CCn1nc(C)cc1C(=O)Nc1cc(C)nn1-c1nc2ccccc2s1 21684390 NZVHAMDGYVNCAD-UHFFFAOYSA-N 366.450 3.568 0 40 FHAB CCc1nc2ccccc2n1CC(=O)Nc1ccccc1Br 36783881 JNVHKFFTDOWUIY-UHFFFAOYSA-N 358.239 4.000 0 40 FHAB CCCNC(=O)c1cc(S(=O)(=O)Nc2c(C)cccc2CC)ccc1C 408601695 GMPPNZIWSFGRPT-UHFFFAOYSA-N 374.506 3.806 0 40 FHAB COc1ccc(/C=C/C(=O)NCCSc2ccccc2)c(OC)c1OC 409412348 UVKLSBUFDIZNCH-ZRDIBKRKSA-N 373.474 3.634 0 40 FHAB CC(=O)c1cccc(NCc2cc(-c3ccc(F)cc3)cn3nnnc23)c1 72392355 FGPRSJUMVZYORB-UHFFFAOYSA-N 361.380 3.745 0 40 FHAB O=C(NCc1ccsc1Br)c1cnnc(-c2ccccc2)c1 566040287 DMVODUMTXGVWFL-UHFFFAOYSA-N 374.263 3.898 0 40 FHAB CC(C)c1nnc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)o1 44098530 GSJSYWGKBMURQS-UHFFFAOYSA-N 352.438 3.623 0 40 FHAB COc1ccc(CCNC(=O)c2cnc(-c3ccc(F)cc3)nc2C)cc1 222578624 LUEAXINJAYDDBB-UHFFFAOYSA-N 365.408 3.572 0 40 FHAB Cc1ccc(NC(=O)C(=O)NCc2ccc(OC(C)C)cc2)cc1Cl 42646148 XCWBPGHZYHEQTC-UHFFFAOYSA-N 360.841 3.691 0 40 FHAB COc1ccccc1COc1ccc(-c2csc(N)n2)cc1C(=O)O 85397522 UBTMXBCZAPKVBA-UHFFFAOYSA-N 356.403 3.678 0 40 FHAB CCn1cccc1-c1noc(CNC(=O)c2ccc(Cl)c(Cl)c2)n1 225769377 ZBWJYEAXSWXQCR-UHFFFAOYSA-N 365.220 3.795 0 40 FHAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCc1ccc(OC)c(OC)c1 222948800 CCTOMNFWVDGAIE-SFHVURJKSA-N 371.477 3.837 0 40 FHAB O=C1CC[C@]2(CCCN(Cc3ccsc3)CC2)N1Cc1cccnc1 96218014 FEGQYWCLZVGNFL-FQEVSTJZSA-N 355.507 3.690 0 40 FHAB Cc1cccc(NC(=O)N2CC[C@@]3(CCCN(c4ccc(C)nn4)C3)C2)c1 96217033 MCTIJQKYYFQABR-OAQYLSRUSA-N 365.481 3.618 0 40 FHAB Cn1cnc(CN2CCC[C@@H]2c2cncc(Oc3ccc(Cl)cc3)n2)c1 257206422 BDICIADWNQGENH-GOSISDBHSA-N 369.856 3.993 0 40 FHAB Cc1cnccc1CNC(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1 654537962 OKPAUFGGMRUJMP-UHFFFAOYSA-N 365.355 3.777 0 40 FHAB COC1([C@@H](C)NC(=O)c2ccc3c(c2)nc(O)n3C2CCCC2)CCC1 665662179 OQVITEUGAIQJGC-CYBMUJFWSA-N 357.454 3.544 0 40 FHAB CCS(=O)(=O)c1cccc(NC(=O)N[C@H]2CCC(C)(C)C[C@H]2C)c1 1322321938 AYCVPSYTZIMUQJ-CJNGLKHVSA-N 352.500 3.817 0 40 FHAB O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN1c1nc2ccccc2o1 96122545 ORZLHGWHQDNVHB-QGZVFWFLSA-N 369.852 3.809 0 40 FHAB FC(F)(F)c1nc(-c2ccc([C@H]3CCCN(CC4CC4)C3)nc2)no1 585289092 DLPBLBHCTIYDCY-ZDUSSCGKSA-N 352.360 3.740 0 40 FHAB O=C(CNc1ccccc1-n1cccn1)Nc1ccccc1OC(F)F 55851173 GSSHAHLIUCBUAM-UHFFFAOYSA-N 358.348 3.524 0 40 FHAB O=C(Nc1ccc2c(c1)CCCO2)N[C@H](C[C@@H]1CCCO1)C(F)(F)F 653962589 OBSHWUBJGGHWFP-DZGCQCFKSA-N 358.360 3.633 0 40 FHAB CC(=O)N1CCN(C2CCCCC2)C[C@@H](Cc2cnc3ccccc3c2)C1 1615192174 RSVTUQQIYFMRDL-FQEVSTJZSA-N 365.521 3.890 0 40 FHAB COc1ccccc1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1 5079132 QYZLITAENNSIMR-UHFFFAOYSA-N 353.296 3.510 0 40 FHAB O=C(Nc1ccc(Cl)cc1)c1nn(-c2cccc(Cl)c2)ccc1=O 5353103 QBLCZFRNWKNBBY-UHFFFAOYSA-N 360.200 3.792 0 40 FHAB Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)NCC3CCCCC3)n2)cc1 5867597 MBJDEVDVFXYNKR-AWEZNQCLSA-N 358.511 3.957 0 40 FHAB Cc1cccc(C2(O)CCN(C[C@H](O)c3ccc4c(c3)CCC4)CC2)c1 12292592 CIUFZPWETZAFBZ-QFIPXVFZSA-N 351.490 3.501 0 40 FHAB COCCc1ncc(CNC2(c3ccc(Cl)cc3Cl)CC2)cn1 12361954 JXFRMISYXHJWNY-UHFFFAOYSA-N 352.265 3.751 0 40 FHAB O=C(NC(=S)NCc1ccco1)C(c1ccccc1)c1ccccc1 14257814 KRMPVUPUTJWOBW-UHFFFAOYSA-N 350.443 3.602 0 40 FHAB Cc1ccc(-c2nc(N3CCOCC3)nc3c2C(=O)c2ccccc2-3)cc1 17073768 WXKCUKJYJHTAEG-UHFFFAOYSA-N 357.413 3.500 0 40 FHAB Cc1cc(-c2c[nH]nc2[C@H]2CCCCN2C(=O)Cc2ccccc2C)on1 19237075 KPXZLVLJDNEEIA-GOSISDBHSA-N 364.449 3.978 0 40 FHAB CCCC(=O)N1CCC[C@](Cc2ccc(-c3cccs3)cc2)(C(N)=O)C1 19501199 BZUQSDXCZODRES-OAQYLSRUSA-N 370.518 3.852 0 40 FHAB CCn1cc([C@@H](NC(=O)[C@@H]2CCCO2)c2ccc(F)cc2)c2ccncc21 19524815 ISAPSUPEMRELOD-PMACEKPBSA-N 367.424 3.580 0 40 FHAB COc1ccc([C@H](NC(=O)c2cc(C)nc3onc(C)c23)C2CC2)cc1 19715835 WIEFGNFFYJVCJW-GOSISDBHSA-N 351.406 3.729 0 40 FHAB CCN(CC)Cc1ccccc1NC(=O)c1cc(C)nc2c1c(C)nn2C 19716327 BUGGHXBBCNTGJF-UHFFFAOYSA-N 365.481 3.679 0 40 FHAB Cc1cccc(N(CC(=O)Nc2ccc3ccccc3c2)S(C)(=O)=O)c1 19946467 HFGXTBGVRNOAOQ-UHFFFAOYSA-N 368.458 3.553 0 40 FHAB CNC1CCC2(CC1)CN(C(=O)C[C@@H]1C=CCC1)Cc1ccccc1O2 19591997 XFVZBLIGSXGZNV-BWDFOLQRSA-N 354.494 3.665 0 40 FHAB CCCCCC(=O)NC[C@@H]1[C@@H](C)C[C@@H]2[C@H]1CC(=O)N2Cc1ccccc1 1775964031 ORLFSIJGHPQLMJ-IJXRJRJASA-N 356.510 3.756 0 40 FHAB biogenic,in-vitro CCOc1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1OCC 4851915 PWTAJDVAPRVXDH-UHFFFAOYSA-N 368.389 3.581 0 40 FHAB COc1ccc(-c2nc(CN3CCN(C(=O)C(C)(C)C)CC3)cs2)cc1 40059510 IUWDOCMBEYNPHV-UHFFFAOYSA-N 373.522 3.509 0 40 FHAB O[C@@H](CNc1nc(-c2ccncc2)nc2ccccc12)c1ccccc1F 40083193 WSEWMHKJEDSFAE-IBGZPJMESA-N 360.392 3.976 0 40 FHAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 40059574 MGYHOOIJLJJMNE-INIZCTEOSA-N 363.465 3.506 0 40 FHAB Cc1cc(O[C@@H](C)C(=O)c2ccc(Cl)cc2)ccc1N1C(=O)CCC1=O 20352501 DNGCQTZLMZZIMI-ZDUSSCGKSA-N 371.820 3.952 0 40 FHAB Cc1csc(C2=C(O)CN(c3cccc(Br)c3)C2=N)n1 101104682 CBMUFMXYACTOCA-UHFFFAOYSA-N 350.241 3.981 0 40 FHAB O=C1Nc2cccc(Cl)c2[C@]12CC(O)=Nc1c2cnn1-c1ccccc1 20745529 XNWRMNZBATWQFA-LJQANCHMSA-N 364.792 3.756 0 40 FHAB CC[C@H](NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)C12CC3CC(CC(C3)C1)C2 102439730 ZIKIKSLUCHHXPD-ZLLNQAKWSA-N 357.494 3.621 0 40 FHAB COC(=O)/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 1857793405 ZEZQBQYITUPYQF-IHWYPQMZSA-N 365.233 3.626 0 40 FHAB Nc1cccc2c1C(=O)N(C(=O)Cc1coc3ccc4ccccc4c13)C2=O 2655198 NTUYBRLFQMOFFH-UHFFFAOYSA-N 370.364 3.534 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)N1CC=C(c2c[nH]c3ncccc23)CC1 32901929 UDIQAQSVZRWBKD-UHFFFAOYSA-N 356.429 3.903 0 40 FHAB O=C(NCCCNc1ccc(C(F)(F)F)cn1)c1cc(F)cc(F)c1 32912001 LRWFUTPWIMIKAZ-UHFFFAOYSA-N 359.298 3.611 0 40 FHAB C[C@H](NC(=O)c1ccc(-c2ccccc2F)o1)c1nnc2ccccn12 52769891 FPWNILLZXHOTKC-LBPRGKRZSA-N 350.353 3.619 0 40 FHAB O=C(Nc1ccnn1Cc1cc(Br)cs1)c1ccoc1 21836506 YDLSUNRNXNMVKQ-UHFFFAOYSA-N 352.213 3.601 0 40 FHAB CC(=O)c1ccc(NC(=O)c2ccn(COc3ccccc3F)n2)cc1 2798282 PFMNELAVEVIXMQ-UHFFFAOYSA-N 353.353 3.514 0 40 FHAB Cc1ccc(NC(=S)N2[C@H]3CCC[C@@H]2CC(NC(=O)C2CC2)C3)cc1C 4857447 DAPKNQRBEHJKJC-YQQQUEKLSA-N 371.550 3.912 0 40 FHAB CCN(CC)C1=NC(=O)[C@H](CC(=O)Nc2cccc3ccccc23)S1 22195098 SYUNGMUHEZFSSM-INIZCTEOSA-N 355.463 3.508 0 40 FHAB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNC3CCCC3)o2)c1 7540565 KZBGCBCGHNQYBW-UHFFFAOYSA-N 357.406 3.552 0 40 FHAB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ccc(F)c(F)c1 7853673 GRAYVHLHANLZRP-ZETCQYMHSA-N 356.423 3.510 0 40 FHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2cccc(Cl)c2)cc1 46804753 FEJODCXNUXYXDX-STQMWFEESA-N 359.857 3.976 0 40 FHAB COc1ccc(C(C)=O)cc1CN1CCC[C@H](C(=O)Nc2ccccc2)C1 12284548 CFTXNFVHKWQGFY-SFHVURJKSA-N 366.461 3.749 0 40 FHAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCc1ccc(OC)c(OC)c1 8477766 MGJROWLBECJOCB-SFHVURJKSA-N 357.450 3.529 0 40 FHAB COc1ccc(Cl)cc1NC(=O)NC[C@@H](c1ccsc1)N(C)C 22766887 WTUMLFREYMXMKQ-AWEZNQCLSA-N 353.875 3.835 0 40 FHAB CC(=O)N[C@H]1C(=O)N(CCOc2ccc3ccccc3c2)c2ccc(C)cc21 100485492 WMBZCVAUTBIEOT-JOCHJYFZSA-N 374.440 3.751 0 40 FHAB Fc1ccc(-c2n[nH]cc2CNCc2ccnc(N3CCCC3)c2)cc1 42207745 AAUMXHNNBWWABE-UHFFFAOYSA-N 351.429 3.501 0 40 FHAB C(=C/c1ccccc1)\CN1CCN(Cc2ccc(-n3cccn3)cc2)CC1 22935436 BUWFTBJSXURVJB-XBXARRHUSA-N 358.489 3.703 0 40 FHAB C=CCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 1090593 RQZQIHZNBYBTKA-XFFZJAGNSA-N 356.266 3.542 0 40 FHAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1ccc(F)cc1 9140586 DGBVTDIMARZDAQ-UHFFFAOYSA-N 359.209 3.965 0 40 FHAB CCCCCOc1ccc(NC(=O)C(=O)NCc2ccc(C)cc2)cc1 9232720 JSHJXKOVLMRVSJ-UHFFFAOYSA-N 354.450 3.819 0 40 FHAB Brc1ccc(OCC[C@H]2CCCNC2)c(Br)c1 42772164 KTFIXTSUYXCLMV-SNVBAGLBSA-N 363.093 3.980 0 40 FHAB O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1ccc(Cl)cc1Cl 54851402 IHLZSLLRSRREQD-UHFFFAOYSA-N 374.227 3.856 0 40 FHAB Cc1nc(C(C)(C)C)nc2sc(C(=O)N(C)Cc3cnn(C)c3)c(C)c12 24480175 OLYZXMQNRLIBPP-UHFFFAOYSA-N 371.510 3.611 0 40 FHAB Cc1cc(C(=O)OCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c(C)n1C1CC1 105888621 ZDFZWKPMBVHVHA-VKZRIFJHSA-N 358.482 3.538 0 40 FHAB O=C(N[C@@H](Cc1ncc[nH]1)c1ccccc1)c1cccc(Br)c1 12539990 GLXVVPZXCFOIPY-INIZCTEOSA-N 370.250 3.886 0 40 FHAB O=C(O)c1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)cc1 12544936 CLPVIQRMLYKTDD-UHFFFAOYSA-N 361.419 3.507 0 40 FHAB COC(=O)c1cc(NC(=O)COc2ccc(Nc3ccccc3)cc2)c[nH]1 12545210 GDIHILDTDVSQEG-UHFFFAOYSA-N 365.389 3.562 0 40 FHAB COCc1cccc(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)c1 25335258 GCEZULRMCLXPTC-UHFFFAOYSA-N 367.232 3.508 0 40 FHAB O=c1oc2c3c(c(Cl)cc2c2c1CCC2)OCN(Cc1ccccn1)C3 57111287 MGSVZDCDLZTEJX-UHFFFAOYSA-N 368.820 3.682 0 40 FHAB COC(=O)c1oc2c(c1N)-c1ccccc1CN(C(C)=O)c1ccccc1-2 1781004 NDPLEVLWTCCNMM-UHFFFAOYSA-N 362.385 3.849 0 40 FHAB CCCCn1c(SCC(=O)Nc2ccccc2)nc2ccsc2c1=O 57426393 RSDRNTQUKIYGMU-UHFFFAOYSA-N 373.503 3.989 0 40 FHAB COc1ccc([C@H](C)NC(=O)COCc2ccccc2Cl)cc1F 44354580 JDEOWHDPOXBOKZ-LBPRGKRZSA-N 351.805 3.882 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)NCc1ccc(Cn2cccn2)cc1 12625961 GJOOGYJJTUZAKL-UHFFFAOYSA-N 358.445 3.662 0 40 FHAB O=C(c1ccoc1)N1CCC[C@@H](C(=O)N2CCC[C@@H]2c2ccsc2)C1 48234185 PDHDURYLEXFXSU-RHSMWYFYSA-N 358.463 3.557 0 40 FHAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCCCCCC2)c1 58394125 MIAVKLRGVLYBDL-UHFFFAOYSA-N 359.470 3.871 0 40 FHAB CSc1nnc2n(-c3ccc(C)cc3)c(=O)c3c4c(sc3n12)CCC4 2285487 RXNJNDYYHPKALF-UHFFFAOYSA-N 368.487 3.614 0 40 FHAB O=C(OCCOc1ccc(F)cc1)c1cc2c(nc3sccn32)s1 58672252 FDKOOHCQYKXOOZ-UHFFFAOYSA-N 362.407 3.985 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)c1cc(C)nc2c1cnn2C(C)C 10964251 VZIWOSRQFZQWMV-AWEZNQCLSA-N 352.438 3.820 0 40 FHAB Cc1sc(NC(=O)CC(C)(C)CC(=O)O)c(C(N)=O)c1-c1ccccc1 28900075 NYNSSLUIGGQPJQ-UHFFFAOYSA-N 374.462 3.652 0 40 FHAB Cc1cccc(-n2nnc(C(=O)Nc3cc(Cl)ccc3Cl)c2N)c1 11690550 GFGRMLRYGQPBLT-UHFFFAOYSA-N 362.220 3.717 0 40 FHAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Nc1ccc(F)cc1F 48324401 YMEONVHESFULDW-NSHDSACASA-N 368.405 3.593 0 40 FHAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccccc3C(=O)OC(C)C)C(=O)[C@@H]21 408623924 STGOAENVRHAPMI-RGCFKVTRSA-N 365.429 3.510 0 40 FHAB COC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@@H]1c1cccc(C)c1 12905175 MNBQGWBGPZKPRB-QGZVFWFLSA-N 356.447 3.770 0 40 FHAB CCOc1ccc(-n2nnc(C(=O)Nc3ccc(C)c(C)c3)c2C)cc1 4314957 SIRQYOQPKMPMBG-UHFFFAOYSA-N 350.422 3.844 0 40 FHAB CCC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 4412812 ROHRYSWFLLUZDH-UHFFFAOYSA-N 371.868 3.651 0 40 FHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3cccs3)n2)cc1 14085213 QWGQPLNMNXLPIE-UHFFFAOYSA-N 357.460 3.760 0 40 FHAB O=C(CSc1nc2cc(Cl)cnc2[nH]1)Nc1cccc(Cl)c1 5310361 UNLPTMQOHWUBEI-UHFFFAOYSA-N 353.234 3.996 0 40 FHAB Oc1ccc2c(c1)Oc1ncn3nc(-c4ccco4)nc3c1[C@@H]2c1ccco1 5345938 ZBXXJMDAEPULSO-INIZCTEOSA-N 372.340 3.969 0 40 FHAB Cn1c(-c2cccs2)nn(CN2CCC[C@H](C(F)(F)F)C2)c1=S 14166344 JAPXWLGKWFSPJN-JTQLQIEISA-N 362.446 3.911 0 40 FHAB CC(C)Oc1ccc([C@@H](CC(=O)N2CCOCC2)c2ccc(F)cc2)cc1 5478667 OHFJKFVPTZBWFE-NRFANRHFSA-N 371.452 3.994 0 40 FHAB C[C@H](O)c1cccc(NC(=O)c2ccccc2I)c1 4666654 QHKHEVIEFJLDMU-JTQLQIEISA-N 367.186 3.597 0 40 FHAB COc1ccc(CNC(=O)Nc2ncccc2OCc2ccccc2)cc1 6713285 NXWDWBPTCGMHRZ-UHFFFAOYSA-N 363.417 3.991 0 40 FHAB CCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1cccc(OC)c1 6752935 VCHPUEMETQOYJY-HXUWFJFHSA-N 363.417 3.746 0 40 FHAB COc1cc2c(cc1NC(=O)[C@@H](C)Sc1ncn[nH]1)oc1ccccc12 5737018 GMHNTQWDEDWKNM-SNVBAGLBSA-N 368.418 3.832 0 40 FHAB COc1ccc([C@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCC2)cc1OC 71282086 FVFDLNRXENNPMW-CQSZACIVSA-N 371.437 3.822 0 40 FHAB COc1cc(OC)c(NCC(=O)Nc2cc(F)ccc2C)cc1Cl 9482813 KLSYBCGLJBRPPH-UHFFFAOYSA-N 352.793 3.855 0 40 FHAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)C1CCN(C(=O)C2CC2)CC1 16005187 MDXGWKSASIGRCH-UHFFFAOYSA-N 372.799 3.529 0 40 FHAB C[C@H]1c2ccsc2CCN1C(=O)c1cccc(CN2CCCC2=O)c1 7830872 RSKWYEKOFNQRKG-AWEZNQCLSA-N 354.475 3.630 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(Sc2ccc(C)c(C)c2)nc1 7983451 FVVVKIFZZTWZGR-UHFFFAOYSA-N 350.509 3.880 0 40 FHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cc(C)ccc1C 9364752 HNHOYZOCDLSPJU-UHFFFAOYSA-N 369.852 3.856 0 40 FHAB Cc1[nH]c2ccccc2c1[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 19864037 RXUOIZFETKHGBQ-OAQYLSRUSA-N 350.418 3.627 0 40 FHAB COc1ccccc1Oc1ccc(NC(=O)CN2CCSC2=O)cc1 9503787 KMOCJYPYPMPKBU-UHFFFAOYSA-N 358.419 3.595 0 40 FHAB CCOc1ccccc1NC(=O)COC(=O)c1cc(F)ccc1Cl 72330115 KFAWRCANAHKOSQ-UHFFFAOYSA-N 351.761 3.673 0 40 FHAB CC(C)(C)NC(=O)NCCN1CCC[C@H](COc2ccccc2Cl)C1 95452739 XGOVBSKESWZFHM-HNNXBMFYSA-N 367.921 3.529 0 40 FHAB CC(=O)c1cccc(COC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c1 95974519 PFUHZXOCPSAQTB-QZTJIDSGSA-N 352.386 3.507 0 40 FHAB C[C@H](CO[C@@H]1CCOC1)N[C@@H]1CCc2c(Br)cc(Cl)cc21 95976492 CGGFREDLBDXSKV-NSODJVPESA-N 374.706 3.873 0 40 FHAB Cc1cc(C(=O)NC2CCCCC2)ccc1NCc1nnc(C2CC2)o1 75093251 OKNMJHOPPICGRH-UHFFFAOYSA-N 354.454 3.930 0 40 FHAB CC[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ncc(Cl)cc1Cl 27978297 SNHPTEPKAWZWEY-LBPRGKRZSA-N 369.204 3.913 0 40 FHAB CCC(=O)Oc1ccc(/C=C2\N=C(c3cccc(C)c3)OC2=O)cc1OC 409191954 QYBGKRHESQUYMB-WJDWOHSUSA-N 365.385 3.664 0 40 FHAB COc1ccc(Oc2coc3c4c(ccc3c2=O)OCN(C2CC2)C4)cc1 12442481 PEOOEAMXMYBJQV-UHFFFAOYSA-N 365.385 3.908 0 40 FHAB biogenic Cc1ccc(OCCN2C(=O)S[C@@H](Cc3ccc(F)cc3)C2=O)cc1 409145134 MUGNDZLKGGUFEU-KRWDZBQOSA-N 359.422 3.820 0 40 FHAB CCOc1ccc2c(c1)c(C(=O)NC(C)(C)CN1CCCCC1)c(C)n2C 35316961 XTMSQXYEYYPJRG-UHFFFAOYSA-N 371.525 3.880 0 40 FHAB CN(C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)[C@H]1CCCc2ccccc21 32481268 GGDZANSSBCBUQD-LPHOPBHVSA-N 366.436 3.715 0 40 FHAB CCCOc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1OCCC 72414190 UFAYWHRYNZHMDC-OAHLLOKOSA-N 355.500 3.685 0 40 FHAB Fc1ccc(CN2CCCC[C@@H]2c2ccnc(Nc3ncccn3)n2)cc1 72377415 NUQWPEMUPJMIGT-GOSISDBHSA-N 364.428 3.877 0 40 FHAB COc1cc(-c2nc3ncccn3c2Nc2ccccc2)cc(OC)c1O 35615749 JIQPCBCJPUUQMA-UHFFFAOYSA-N 362.389 3.863 0 40 FHAB O=C(c1cnccn1)N1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 72357837 NQBTUWWEHWZVTK-HXUWFJFHSA-N 362.408 3.579 0 40 FHAB COc1ccc(-c2nsc(C(=O)NCc3ccc(C)cc3)c2N)cc1 62007089 IEJNFIKEAWSFAF-UHFFFAOYSA-N 353.447 3.639 0 40 FHAB CCOc1cc(S(=O)(=O)NCc2ccccc2Cl)c(C)cc1C 72414398 TWKHKVJJNPUKFR-UHFFFAOYSA-N 353.871 3.834 0 40 FHAB CC(C)C(=O)Nc1cc(C(=O)NC2(Cc3cccc(F)c3)CCC2)ccn1 561306393 MMIOKRSKUUCELE-UHFFFAOYSA-N 369.440 3.710 0 40 FHAB Cc1ccc(-c2noc(CNC(=O)c3ccccc3OC(C)C)n2)cc1 219746186 FLHFTLQHLCBQJL-UHFFFAOYSA-N 351.406 3.762 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)c1C 219311702 UWMXGDCKWOBHAC-MRXNPFEDSA-N 365.433 3.779 0 40 FHAB CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccccc1 224680057 QJTDWTUFYRDFKD-UHFFFAOYSA-N 355.843 3.572 0 40 FHAB CCO[C@@](C)(C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1)C1CC1 225723462 MFRTUJJWHVWCIW-VGOFRKELSA-N 374.525 3.941 0 40 FHAB CCCCOC(=O)c1ccc(NC(=O)COc2cccc(OC)c2)cc1 40946392 XAXXFUIIWGKKSE-UHFFFAOYSA-N 357.406 3.670 0 40 FHAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@H]1c1ccc(OC)cc1 49466915 RBQMLCCFWANQQO-RTBURBONSA-N 353.418 3.861 0 40 FHAB Cc1cc(N2CCCCC2)nc(NC(=S)N[C@H](C)c2ccccc2)n1 225962219 WQZWXPJHPRPEMZ-OAHLLOKOSA-N 355.511 3.823 0 40 FHAB COC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nc4ccccc4s3)cc2C)C1 45886976 QTQQAIDXVWJLCO-CQSZACIVSA-N 366.442 3.798 0 40 FHAB CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cc1C(=O)OC 225792431 RZXXNRJYBVVXGV-IBGZPJMESA-N 351.443 3.652 0 40 FHAB Cc1ccccc1O[C@@H](C)C(=O)NCc1ccccc1CN1CCCC1 224786916 JWRVPDXGXYEBIZ-SFHVURJKSA-N 352.478 3.675 0 40 FHAB S=C(Nc1nc(Cl)cc(N2CCCCCC2)n1)NC1CCCC1 226007382 PHDVNLGKRNVWCC-UHFFFAOYSA-N 353.923 3.739 0 40 FHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1 224977481 BGBSVYPFXCZHID-RTBURBONSA-N 366.505 3.951 0 40 FHAB Cc1cc(CNC(=O)N[C@H]2c3ccccc3CC23CCOCC3)cc(C)n1 576023035 VUYWZTUPRNWJFU-FQEVSTJZSA-N 365.477 3.592 0 40 FHAB COC(=O)C[C@H](c1ccc(SC)cc1)c1c(O)ccc2nsnc12 96230831 WYCMSYOJHGKZKQ-GFCCVEGCSA-N 360.460 3.814 0 40 FHAB CCc1ccccc1NS(=O)(=O)c1ccc(Br)c(F)c1 95067919 XLTXKNDAQNWCPI-UHFFFAOYSA-N 358.232 3.951 0 40 FHAB O=C(COc1cccnc1Cl)N1N=C(c2ccco2)C[C@H]1c1ccco1 97576670 NBAPRMRUOYEZTF-ZDUSSCGKSA-N 371.780 3.678 0 40 FHAB Cc1ccc(-n2nc(C(=O)O)c(N3CC[C@@H](c4ccccc4)C3)n2)cc1C 256046263 DVIOYIUGYIHHAH-QGZVFWFLSA-N 362.433 3.576 0 40 FHAB CC(C)c1ncc(C(=O)N2C[C@H]3C[C@H](Oc4ccccc4)C[C@H]3C2)cn1 257280855 OMRKZSWXETTYPA-MNZLEMJZSA-N 351.450 3.530 0 40 FHAB CC(C)(C)C(=O)N1CCC[C@@H]1c1ccnc(-c2cncc(C(=O)O)c2)c1 257213093 CGDPGRZSANOBHW-QGZVFWFLSA-N 353.422 3.551 0 40 FHAB CCN1C[C@H](NC(=O)c2cc(-c3ccc4ccccc4c3)[nH]n2)C(C)(C)C1 1652602778 HTJNHQVJULQEBL-FQEVSTJZSA-N 362.477 3.690 0 40 FHAB Cc1ccc(CNC[C@@]2(C)COc3ccccc3O2)c(-c2cnn(C)c2)c1 1657730371 AGOXVBILOVXDKP-QFIPXVFZSA-N 363.461 3.715 0 40 FHAB O=C(N[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1)[C@@H]1CCCc2n[nH]cc21 648969256 SPEDJHOZNUDPPL-CHWSQXEVSA-N 368.868 3.638 0 40 FHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(C)[C@H]1CCO[C@@H]1c1cccnc1 671952128 HVSSUFOBORZDQO-QKYBYQKWSA-N 374.525 3.847 0 40 FHAB COC[C@@H]1CN(Cc2ccco2)CC12CCN(CCc1ccccc1)CC2 585102724 BYNHLSLBQMXFRD-NRFANRHFSA-N 368.521 3.683 0 40 FHAB OC1(COc2ccccc2F)CCN(Cc2ccc3[nH]ccc3c2)CC1 585270449 KFKGCBQMQCKDCD-UHFFFAOYSA-N 354.425 3.713 0 40 FHAB C[C@@H](c1nc2ccccc2s1)N1CCN(Cc2cncc(F)c2)CC1 681749620 ZEHKZIDADICKLJ-AWEZNQCLSA-N 356.470 3.709 0 40 FHAB Cc1nn(C)c(C)c1/C=C/C(=O)Nc1ccccc1OC[C@H]1CCCCO1 56349280 VXSUCZOUMIXMKM-FMQWLBJXSA-N 369.465 3.637 0 40 FHAB Cc1c([C@H](C)NC(=O)/C=C/c2nccs2)cnn1-c1ccc(F)cc1 56876563 LTFLPEPTSRJEDV-GUOLPTJISA-N 356.426 3.667 0 40 FHAB COc1ccc(-c2noc(-c3ccc4c(c3)NC(=O)[C@@H](C)S4)n2)cc1 109530785 OXHKQEPOWVOFRJ-SNVBAGLBSA-N 353.403 3.845 0 40 FHAB C[C@@H]1CN(C(=O)Cc2nnc(-c3ccccc3)o2)CCc2ccc(F)cc21 633582290 LMBQGGCACSPBFL-CQSZACIVSA-N 365.408 3.607 0 40 FHAB COc1cccc2c1O[C@@]1(C)C[C@H]2NC(=O)N1Cc1ccc(F)cc1F 1615614985 LPOQMWNLGPQWJV-BEFAXECRSA-N 360.360 3.739 0 40 FHAB COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)C2CCC2)cc1 12145581 YGTDXXVOWPMRKN-SFHVURJKSA-N 353.466 3.811 0 40 FHAB CC[C@H]1c2cccn2CCN1C(=O)c1cc2c(OC)ccc(OC)c2n1C 12148691 JHKHYAIPJFIYST-HNNXBMFYSA-N 367.449 3.604 0 40 FHAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)C3CCCCC3)C2)on1 13225953 VXBKDGWMCVZQPW-AWEZNQCLSA-N 360.483 3.788 0 40 FHAB COc1ccc(OCC(=O)OCc2nc3ccccc3n2C(F)F)cc1 14121199 AIWJTMHHVYRIIL-UHFFFAOYSA-N 362.332 3.562 0 40 FHAB Cc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 15049436 WYVBNIPNNDMJBD-YBEGLDIGSA-N 370.405 3.809 0 40 FHAB CC(=O)N1N=C(c2ccc3c(c2)CCCC3)Sc2c1nc(C)n2C(C)=O 16777366 IGFIIZQOZAGRHT-UHFFFAOYSA-N 368.462 3.551 0 40 FHAB CCCN1CCC(C[C@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)OCC)CC1 19502595 VRFYANCZHCBUIO-LJQANCHMSA-N 372.509 3.933 0 40 FHAB COc1ccc2cnc([C@H]3CCCN(C(=O)c4ccccn4)C3)cc2c1C 19582673 BENDGQKSQSPZNE-KRWDZBQOSA-N 361.445 3.967 0 40 FHAB CC(=O)Nc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1 6295974 DESALMMGSKWGSV-AQTBWJFISA-N 366.442 3.924 0 40 FHAB CC(=O)N1CCCCCCCN(C(=O)[C@H](N)CC(C)C)Cc2ccccc21 643587361 BAPWBMUHXMLGNS-HXUWFJFHSA-N 373.541 3.706 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CC(N2C[C@@H]3CCC[C@H]3C2)C1 1888869446 OYWFXMSQARHOAA-STQMWFEESA-N 353.388 3.653 0 40 FHAB Brc1csc(CN2CC[C@@H]3CN(c4ccccn4)C[C@@H]32)c1 1889102955 PXQVAQQWPMLCBT-DOMZBBRYSA-N 364.312 3.616 0 40 FHAB Cc1cccc(O[C@@H]2CCN(C(=O)c3cc(-c4ccc(F)cc4)c[nH]3)C2)n1 238876140 OBXSNVFYCCGKOZ-GOSISDBHSA-N 365.408 3.818 0 40 FHAB O=C1CO[C@]2(CCCN(Cc3cccs3)CC2)CN1c1ccccc1 2037839706 AZRQYNADCWPRAJ-FQEVSTJZSA-N 356.491 3.536 0 40 FHAB Cc1ccccc1CSC1=NCCN1C(=O)[C@H](C)Oc1ccccc1 4120038 PDWWHTKWOQBEBU-INIZCTEOSA-N 354.475 3.894 0 40 FHAB COc1ccc(C(=O)N2CCN=C2SCc2cccc(C)c2)cc1OC 4120191 VJVKMTYKUFZGHZ-UHFFFAOYSA-N 370.474 3.757 0 40 FHAB Cc1ccc(C(=O)N(c2cccc(Cl)c2)[C@@H]2C=CS(=O)(=O)C2)cc1 5070647 XXCJBBWAQFAGEE-QGZVFWFLSA-N 361.850 3.606 0 40 FHAB Cc1nnc(-c2cc3ccccc3n2CC(=O)N2CCc3ccccc32)o1 9573798 CUIOSDFFTDSXLI-UHFFFAOYSA-N 358.401 3.589 0 40 FHAB COc1ccc(C2=NO[C@@H](c3cc(OC)c4c(c3OC)OCO4)[C@H]2C)cc1 15081350 ZHOGSJIHBLCZFT-APPDUMDISA-N 371.389 3.553 0 40 FHAB Cc1cc(C)n(-c2ccnc(NCc3ccc(Br)cc3)n2)n1 49411601 DLZKBXKJOGWZBP-UHFFFAOYSA-N 358.243 3.654 0 40 FHAB O=C(CSCc1ccccc1)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 585149005 QCZCWWKGRBCKKC-LJQANCHMSA-N 353.487 3.871 0 40 FHAB Cc1ccc(C)c(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)c1 8715831 DKAFYHCYLWBPDO-UHFFFAOYSA-N 366.442 3.847 0 40 FHAB Cc1cccc([C@H](c2sc3nc(C)nn3c2O)N2CCC[C@@H](C)C2)c1 102825735 OWEOZWPOVTUCPZ-CZUORRHYSA-N 356.495 3.935 0 40 FHAB O=C(CCCc1cccs1)N1CCC[C@@H](c2nnc3ccccn23)C1 40001112 IJECQMJZCOVRAB-OAHLLOKOSA-N 354.479 3.520 0 40 FHAB CN(C)c1cccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c1 40074445 FTSIGVQNEUKINL-UHFFFAOYSA-N 372.490 3.721 0 40 FHAB O=C(Nc1cccc(COc2ccc3c(c2)OCO3)c1)N1CCSCC1 40151207 UFKNQDGJTAFIFQ-UHFFFAOYSA-N 372.446 3.575 0 40 FHAB O=C(Nc1ccc(OC2CCCC2)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 31284875 BJMOZWHMHLTEMQ-OAHLLOKOSA-N 368.433 3.588 0 40 FHAB CCOC(=O)N1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc(O)c(OCC)c1 2153184 IJCUOQSFSYMMDY-QKYXUNIQSA-N 363.454 3.616 0 40 FHAB Cc1ccc(C)c(OCC(=O)N(C[C@@H](O)c2ccc(F)cc2)C2CC2)c1 79112048 WWHJIFYEOLQDIZ-LJQANCHMSA-N 357.425 3.546 0 40 FHAB O=C(O)c1ccccc1-n1c(S)nnc1C12CC3CC(CC(C3)C1)C2 4708180 WZKNCCFYWZNOJM-UHFFFAOYSA-N 355.463 3.722 0 40 FHAB CCc1nnc(CNc2ccc(C(=O)N3CCCC[C@H]3C)c(Cl)c2)o1 102922820 KKJARWPLBRTCBG-GFCCVEGCSA-N 362.861 3.912 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc1 4884300 KATXRWNJPLPFQU-UHFFFAOYSA-N 364.430 3.506 0 40 FHAB CC(=O)Oc1ccc(C(=O)COC(=O)c2ccc(C(C)(C)C)cc2)cc1 6296373 JHQDDUZMDXTZQH-UHFFFAOYSA-N 354.402 3.949 0 40 FHAB CCN(CC)Cc1ccc(NC(=S)NC(=O)c2cccc(C)c2)cc1 6629894 VRMXJPMYZRYTSW-UHFFFAOYSA-N 355.507 3.964 0 40 FHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N1CCN(c2ccccc2OC)CC1 7495728 RAVAZNUUKBQGBI-HXUWFJFHSA-N 368.477 3.510 0 40 FHAB Cc1sc(NC(=O)COC(=O)c2ccccc2)nc1-c1ccccc1 687273 TWRIPGOLOXLKAB-UHFFFAOYSA-N 352.415 3.914 0 40 FHAB O=S(=O)(Nc1ccc(Br)cc1F)c1cc(F)ccc1F 8105743 DCRZAPKJXOEDFY-UHFFFAOYSA-N 366.158 3.667 0 40 FHAB O=C1C[C@@]2(CC[C@H]3[C@H]2[C@@H]3C(=O)NCc2ccccc2F)Oc2ccccc21 100124392 GXBAPDJCFYVWNO-BWKKGPAXSA-N 365.404 3.502 0 40 FHAB CCCN1CC[C@H](CNC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)C1 97174626 LIFVTVIJKXEONS-QGZVFWFLSA-N 368.525 3.789 0 40 FHAB Cc1ccc(-c2nnc3sc([C@@H]4COc5ccccc5O4)nn23)cc1 1018153 ZCTBPADECTYBBN-HNNXBMFYSA-N 350.403 3.674 0 40 FHAB O=S(=O)(Nc1cccc2cccnc12)c1ccc(Br)cc1 1227811 FQIIAMSIGINTCM-UHFFFAOYSA-N 363.236 3.798 0 40 FHAB CCNc1c(NC(=O)Nc2ccc(OC)cc2)c(=O)oc2ccccc12 9607571 GCIXOJKSAYQPKS-UHFFFAOYSA-N 353.378 3.877 0 40 FHAB COC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)cc1Oc1ccc(C)cc1 1385313 FVRWUXFJDYQMCH-UHFFFAOYSA-N 370.792 3.773 0 40 FHAB C[C@]1(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)CC1(Cl)Cl 55553323 JMYUIZTVTBRUDI-MRXNPFEDSA-N 350.249 3.763 0 40 FHAB CCN(C)C[C@H]1CCN([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 106920915 XJJBWQQJHGVOFC-CHWSQXEVSA-N 358.313 3.594 0 40 FHAB CCc1cc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)sc1C 12608076 ZFONSTMKCBHKJG-UHFFFAOYSA-N 371.506 3.960 0 40 FHAB O=C(CCC(=O)c1ccccc1)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 58209027 ZRVFCTCTHWKSHQ-OAHLLOKOSA-N 372.415 3.570 0 40 FHAB O=C(Nc1cnn(Cc2ccncc2)c1)Nc1ccccc1C(F)(F)F 58223255 KPOZDMUSPPPZBA-UHFFFAOYSA-N 361.327 3.989 0 40 FHAB C[C@@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(F)c(F)c1 10842252 WITPWUTVYKMZES-LLVKDONJSA-N 359.376 3.752 0 40 FHAB O=C(C[C@H]1CCCO1)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 45819474 IZNWICCRIKQNDB-MJGOQNOKSA-N 367.424 3.602 0 40 FHAB Cc1c(C(=O)N[C@@H](C)c2nnc3ccccn23)oc2c(Cl)cccc12 48374490 LKRVBYARHILTEN-NSHDSACASA-N 354.797 3.928 0 40 FHAB CCOc1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2OC)cc1 3497988 DYAXAHXDORBZOF-UHFFFAOYSA-N 363.797 3.543 0 40 FHAB COCCNC(=O)c1sc2cccc(F)c2c1COc1ccccc1 12928214 YJEYMRHQUUJMAL-UHFFFAOYSA-N 359.422 3.996 0 40 FHAB Cc1ccc(CNC(=O)CCn2c(-c3ccc(C)cc3)n[nH]c2=S)cc1 12976637 ORQCALNQEPLTLO-UHFFFAOYSA-N 366.490 3.931 0 40 FHAB COc1cc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc(OC)c1OC 4173338 YGDHXJIUOOGWBP-NWDGAFQWSA-N 361.360 3.563 0 40 FHAB CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3cccc(Cl)c3)n2)cc1 8917583 PCKLJOGCSBFAKA-UHFFFAOYSA-N 369.808 3.537 0 40 FHAB COc1cccc(/N=c2\oc3ccc(Br)cc3cc2C(N)=O)c1 13895402 OYSNABACUGDOJQ-JZJYNLBNSA-N 373.206 3.535 0 40 FHAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc(Br)c2cccnc12 6276691 PCIHHSFOUXEAGY-PHIMTYICSA-N 359.223 3.677 0 40 FHAB O=C(CSc1nnc(NC(=O)c2ccccc2)s1)c1ccccc1 6343992 KGCQSTSOGPZYBX-UHFFFAOYSA-N 355.444 3.765 0 40 FHAB COc1cc2c(cc1OC)[C@@H](C)N(CC(=O)Nc1ccc(C)cc1)CC2 5426877 XTXPRYMZLAZNTC-OAHLLOKOSA-N 354.450 3.570 0 40 FHAB COc1ccc(CC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1 14567884 WDVBHAQHPTXFJF-UHFFFAOYSA-N 352.434 3.503 0 40 FHAB COc1ccc([C@H]2C[C@H](c3ccccc3)N(C(=O)C3CC3)c3ncnn32)cc1 4732765 OBLYGEKISSCDMH-WOJBJXKFSA-N 374.444 3.764 0 40 FHAB CC(=O)Nc1cccc(NC(=O)COc2cccc(Cl)c2Cl)c1 5746977 POOUMEHHGIFKHR-UHFFFAOYSA-N 353.205 3.969 0 40 FHAB Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)NCC2CCCCC2)n1C 5860152 MDHMSBFVTHKZCD-HNNXBMFYSA-N 372.538 3.968 0 40 FHAB CC(=O)c1ccc(N2CCN(C(=O)c3cc4ccccc4cc3O)CC2)cc1 6975840 ITCHHOHWKFUJPR-UHFFFAOYSA-N 374.440 3.710 0 40 FHAB COC(=O)c1ccc([C@H]2c3c(C)n[nH]c3C(=O)N2c2ccc(C)cc2)cc1 4928772 QQXYVCDNGJFOJM-IBGZPJMESA-N 361.401 3.563 0 40 FHAB Cc1cc(-n2cc(C(=O)NCc3ccc(C(C)C)cc3)nn2)ccc1F 67261956 MTIPXIUUZLGGGA-UHFFFAOYSA-N 352.413 3.768 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)n1nc(-c2cccs2)oc1=O 7252296 DBYNXKKNMIKWFV-LLVKDONJSA-N 353.403 3.798 0 40 FHAB O=C(Cc1csc(-c2ccccc2)n1)Nc1nnc([C@@H]2CCCO2)s1 7995785 UBYNFWAQSMEEIQ-ZDUSSCGKSA-N 372.475 3.694 0 40 FHAB CC[C@@H](Sc1n[nH]c2nc3ccccc3n12)C(=O)Nc1ccccc1 9319487 RBJDGXBPSKCNJW-OAHLLOKOSA-N 351.435 3.720 0 40 FHAB COc1ccc(/C=C(/C(=O)NCCCn2ccnc2)c2ccccc2)cc1 9355996 MOWPMBSJIYMGFR-LTGZKZEYSA-N 361.445 3.639 0 40 FHAB COc1ccc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)c(OC)c1 16944789 WWGLWQOURILNHI-UHFFFAOYSA-N 365.368 3.715 0 40 FHAB O=C(Cn1cc(-c2ccc(F)cc2)[n+]2c1CCC2)Nc1ccccc1Cl 17015124 BVEVQKLKSSKFHY-UHFFFAOYSA-O 370.835 3.820 0 40 FHAB O=C(CSCc1ccc(F)cc1)NCCOc1ccc(Cl)cc1 23746039 WQHWBTQUEJPAEC-UHFFFAOYSA-N 353.846 3.908 0 40 FHAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1nc(-c2ccc(F)cc2)ns1 8614020 AYOBOQUKCYWEOV-JTQLQIEISA-N 361.373 3.889 0 40 FHAB COc1cc(-n2cccc2)c(Cl)cc1C(=O)N(C)Cc1ccccn1 71853416 XINPKIIBDAXPMF-UHFFFAOYSA-N 355.825 3.807 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCC(C)C)cc1 409318653 ZIVIAXAESJVGHF-UHFFFAOYSA-N 374.506 3.596 0 40 FHAB CCOC(=O)[C@H]1CCCN(C(=O)c2csc(Nc3ccccc3C)n2)C1 9846066 ZTFKMHNBCIHRKQ-AWEZNQCLSA-N 373.478 3.610 0 40 FHAB COc1cc(CN[C@H](c2nnc3ccccn23)C(C)C)ccc1SC 95393029 VDQXTIUBTMKTGT-SFHVURJKSA-N 356.495 3.947 0 40 FHAB CN1CCC([C@H]2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)C2)CC1 95440589 ALFNVQWITHWSAB-AWEZNQCLSA-N 355.404 3.901 0 40 FHAB COc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)c(OC)c1OC 21690942 DXJOJMSWBHBTCZ-UHFFFAOYSA-N 369.461 3.954 0 40 FHAB CCOc1ccc(N2C[C@@](O)(c3ccccc3C)[N+]3=C2CCCC3)cc1 26441490 WVHGBNZUNVCUKH-JOCHJYFZSA-N 351.470 3.654 0 40 FHAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1cncc(Br)c1 20143530 DRSULKTYMAYSDI-UHFFFAOYSA-N 373.206 3.849 0 40 FHAB c1coc(CN2CCC(c3nnc4ccc(-c5ccsc5)nn34)CC2)c1 306129816 INUQUGTULMRDJM-UHFFFAOYSA-N 365.462 3.825 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)NCC(C)C)cc2)cc1 409357873 RXBDTDLDHIILLX-UHFFFAOYSA-N 374.506 3.501 0 40 FHAB CCOc1cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)ccc1OC 408813898 YWJDZRLQKBVUQO-UHFFFAOYSA-N 373.429 3.996 0 40 FHAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(C(=O)O)cc3)S2)cc1 408783404 LANVBNCVDSVNLN-QMDZLVRISA-N 354.431 3.547 0 40 FHAB CCOC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1Cc1ccc(O)cc1 3847361 DTULPJDTVILWMN-SFHVURJKSA-N 371.433 3.708 0 40 FHAB biogenic O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1cccc2cc(O)ncc12 528192950 IEVPWANIBUNSCS-UTKZUKDTSA-N 362.429 3.838 0 40 FHAB O=C(N[C@@H]1CCCc2sc(Cl)cc21)c1ccccc1-n1ccnn1 557818440 IWSDCBCRTBBEQM-CYBMUJFWSA-N 358.854 3.790 0 40 FHAB COCc1ccc(C(=O)NCCc2ccc(N3CCCCC3)cc2)cc1 32932434 DJCUHTRJTLENLJ-UHFFFAOYSA-N 352.478 3.796 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1-c1nn2c(CC(C)C)nnc2s1 72403759 BGPADLUPRQWPKG-UHFFFAOYSA-N 366.494 3.913 0 40 FHAB NC(=O)c1cccc(-c2nccnc2[C@H]2CCCN(Cc3ccccc3)C2)c1 72358354 AOIOYKJCYGNADW-FQEVSTJZSA-N 372.472 3.622 0 40 FHAB Cc1ccc2oc(-c3cc(N4C[C@@H](C(=O)O)CC4=O)ccc3Cl)nc2c1 45887515 ZTYOBGSXVAVMGF-NSHDSACASA-N 370.792 3.894 0 40 FHAB Cc1ccc(OC[C@H](C)NC(=O)c2cccc(N3CCCC3=O)c2)cc1C 225790697 IPARTPMHKBCVQP-KRWDZBQOSA-N 366.461 3.628 0 40 FHAB COc1ccc(S(=O)(=O)NC(C)(C)Cc2ccccc2)cc1Cl 222979777 BXIYRNODADCHJZ-UHFFFAOYSA-N 353.871 3.648 0 40 FHAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C)c2)c1 224549596 FQRUKSJKXIPXDD-RBUKOAKNSA-N 364.474 3.606 0 40 FHAB CCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(C)c2)c1 224137039 XOJKVYBZCBGRNK-MRXNPFEDSA-N 374.506 3.739 0 40 FHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(Cl)cc1 224415786 BOXINKGOPSHOPW-GFCCVEGCSA-N 354.233 3.956 0 40 FHAB O=C(c1cccs1)N1CCC(C(=O)N2CCCc3ccc(F)cc32)CC1 40117260 DUWVDXUJKXKBGK-UHFFFAOYSA-N 372.465 3.719 0 40 FHAB COc1ccc(S(=O)(=O)Nc2cccc(Br)c2)c(C)c1C 222563521 PCEPCVLJUDTYKB-UHFFFAOYSA-N 370.268 3.875 0 40 FHAB CCOC(=O)c1cc(NC(=O)[C@@](C)(OCC)C2CC2)ccc1OC(C)C 225835961 WJHRLJKXYVCMOO-FQEVSTJZSA-N 363.454 3.794 0 40 FHAB COc1ccc(C[C@H]2CN(C3CCOCC3)CC[C@@H]2OCC2CC2)cc1 96110618 HSUGCFNRWYWJQA-UGKGYDQZSA-N 359.510 3.534 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(F)(F)F)cc(Cl)n2)cc1 91695004 KNKLLJJKUHPZGH-UHFFFAOYSA-N 364.776 3.887 0 40 FHAB Cc1ccc(NC(=O)N2CC[C@]3(C[C@H]3C(=O)NCc3cccs3)C2)cc1 96075104 NIOOTVKADULZQV-PXNSSMCTSA-N 369.490 3.617 0 40 FHAB O=C(c1cc2cccnc2[nH]1)N1CCCN(c2ccccc2Cl)CC1 583200098 LWVYIFAWFCLDHS-UHFFFAOYSA-N 354.841 3.569 0 40 FHAB COc1ccc([C@H](NC(=O)N[C@@H]2CCOc3c(C)cccc32)C2CC2)cn1 527884829 QVCUHEHUZZSTJO-IEBWSBKVSA-N 367.449 3.673 0 40 FHAB Cc1cc(N2CCC(CNC(=O)CCSc3ccccc3)CC2)ccn1 240068000 SGYKJOSRHCJFPK-UHFFFAOYSA-N 369.534 3.905 0 40 FHAB CCN(C[C@@H]1CCCN1CC)C(=O)c1ccc(F)c(COC(C)C)c1 585083116 JSAJBNQKBWTCAY-SFHVURJKSA-N 350.478 3.697 0 40 FHAB O=C(c1cccc2ncccc12)N1CCCC[C@H]1c1ccn2nccc2n1 257302065 SBFXMIRRWQLKID-IBGZPJMESA-N 357.417 3.645 0 40 FHAB Cc1noc([C@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)O)o3)C2)n1 257323995 WMSUXDCWIJBPND-AWEZNQCLSA-N 367.405 3.716 0 40 FHAB O=C(N[C@@H]1C[C@H]2[C@@H](C1)C2(F)F)c1cc(-c2ccco2)nn1-c1ccccc1 1329008348 PTBGVNNCRQXOJY-YOWGUQMCSA-N 369.371 3.906 0 40 FHAB CC(C)c1noc([C@H](C)N2CCN(c3ccc4ccccc4n3)CC2)n1 603393257 ARLHNTMZTAWOHB-HNNXBMFYSA-N 351.454 3.624 0 40 FHAB Cc1cc2oc(-c3ccc(Br)cc3)c(CC(=O)O)c2c(O)n1 604418968 YKKJDKVJXODFNE-UHFFFAOYSA-N 362.179 3.898 0 40 FHAB Cn1cc(C(=O)CCC(=O)N[C@@H]2CCC(C)(C)C[C@@H]2c2ccccc2)cn1 1636379912 BGFDDUSUOIRCOR-RTBURBONSA-N 367.493 3.862 0 40 FHAB Cn1ncc(C(F)(F)F)c1CNC(=O)N[C@H]1CCCC12CCCCC2 624329248 QVRSSCKEODFTCI-AWEZNQCLSA-N 358.408 3.741 0 40 FHAB COc1cccc([C@H](CNC(=O)c2ccc(OC(F)(F)F)cc2)OC)c1 96390103 NVIHVNGPRNIUIV-INIZCTEOSA-N 369.339 3.711 0 40 FHAB O=C(NCC1CCC(c2ccccc2)CC1)N1CCC(O)(C2CC2)CC1 585098247 NSBUWWQNZPAAOG-UHFFFAOYSA-N 356.510 3.907 0 40 FHAB O=C(NC1CCN(c2ccccc2)CC1)N1CCC[C@@H](C(F)(F)F)C1 54680049 HDEVSMMNZCQRSY-CQSZACIVSA-N 355.404 3.639 0 40 FHAB COc1c(CN2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)c(C)nn1C 93387228 WFNJKWLAMAJCHQ-KRWDZBQOSA-N 365.481 3.507 0 40 FHAB O=C(NCCc1c[nH]c2c(Cl)cccc12)c1cnc(NC2CC2)s1 1648289886 HUGAMTYQIGGWGP-UHFFFAOYSA-N 360.870 3.825 0 40 FHAB COc1ccccc1/C=C1\SC(=O)N(CNc2ccccc2OC)C1=O 3208584 FPILIFRLRDGACL-BOPFTXTBSA-N 370.430 3.810 0 40 FHAB C[C@H]1CCCCN1C(=O)CN1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 5625736 MOXRYBHQKVVXBZ-AWEZNQCLSA-N 374.916 3.797 0 40 FHAB COc1ccc(/C=C2\N=C(c3cccs3)OC2=O)cc1Br 5675998 RZEZZUVPFLDQDL-FLIBITNWSA-N 364.220 3.864 0 40 FHAB Cc1cccc(C(=O)OCC(=O)Nc2ccccc2SC(F)F)c1O 11335200 WBDDCZHYWGYWDD-UHFFFAOYSA-N 367.373 3.811 0 40 FHAB CN(CCNC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 12611609 TVFHIFMQBLCXQH-UHFFFAOYSA-N 353.249 3.625 0 40 FHAB CCOc1ccccc1-c1cc(NC(=O)c2noc3c2CCCC3)on1 15726860 NCZIXHWFTIGRPJ-UHFFFAOYSA-N 353.378 3.859 0 40 FHAB Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N(C)C)o1 15860398 UJHSPDSZWVUYOP-MRXNPFEDSA-N 373.840 3.929 0 40 FHAB CN1C(=O)S/C(=C/c2cccc(OCCOc3ccccc3)c2)C1=O 6440506 FABNONLPENWYGI-GHRIWEEISA-N 355.415 3.811 0 40 FHAB CN(CC1CCN(C(=O)NC(C)(C)C)CC1)c1cc(C(F)(F)F)ccn1 1888856662 SDGIJOZRHVSJEA-UHFFFAOYSA-N 372.435 3.757 0 40 FHAB O=C(NC1CCCC1)N1CCC[C@@H](COc2ncccc2C(F)(F)F)C1 1776000681 FTQIJWGECAHOCO-CYBMUJFWSA-N 371.403 3.843 0 40 FHAB Cc1cc(C(=O)N(Cc2cccnc2)c2nc3c(F)cccc3s2)no1 9206536 GSYOSBAKNPZASW-UHFFFAOYSA-N 368.393 3.974 0 40 FHAB Cc1ccc(-n2ncc3c(C)nn(Cc4ccccc4F)c(=O)c32)cc1C 12228861 OTHZXFIRGQJTFZ-UHFFFAOYSA-N 362.408 3.695 0 40 FHAB Cc1ccc(C(=O)N2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)cn1 2055803705 LDAKHLMUZSMPFA-HXUWFJFHSA-N 371.431 3.768 0 40 FHAB Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](N=NN3c3ccc(F)c(Cl)c3)C2=O)c1 101260743 YONAABIEVDSBOE-CVEARBPZSA-N 372.787 3.594 0 40 FHAB CC(=O)OC(C)(C)C(=O)N1CCS[C@H](c2ccccc2Cl)CC1 206998664 GXBQMIKXTHZTEA-HNNXBMFYSA-N 355.887 3.688 0 40 FHAB O=c1c2nnc(SCC3CCCCC3)n2ccn1-c1cccc(F)c1 2298139606 MRSCBNOIKCFYER-UHFFFAOYSA-N 358.442 3.692 0 40 FHAB C[C@H](NC(=O)CCCNc1ncccn1)c1ccc(Cl)c(Cl)c1 40130329 YGDDAQZLVXCYLF-NSHDSACASA-N 353.253 3.853 0 40 FHAB Cn1ccnc1COc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 40119384 KUCZDBVSEMKZEN-FQEVSTJZSA-N 361.445 3.807 0 40 FHAB CC(C)(C)c1ccc(OCC(=O)Nc2ccnn2Cc2ccco2)cc1 32593355 CYKYEHNPTOQGLK-UHFFFAOYSA-N 353.422 3.839 0 40 FHAB CC1CCN([C@H](c2ccccc2)c2nnnn2Cc2ccc(F)cc2)CC1 1330467 LYFMDSAICSSWSU-HXUWFJFHSA-N 365.456 3.682 0 40 FHAB Cc1ccc2c(c1)c1c(n2C[C@H](O)Cn2nnc3ccccc32)CCCC1 2698122 SGOHIEKKJOJWCK-INIZCTEOSA-N 360.461 3.634 0 40 FHAB COc1ccc(C(=O)COC(=O)COc2ccccc2C(C)C)c(OC)c1 3430901 SRBJJXLTAVMMPW-UHFFFAOYSA-N 372.417 3.632 0 40 FHAB O=C(CSc1nnc(-c2cccs2)o1)N1CCCc2ccccc21 2720355 NVNODNZFRBIPCV-UHFFFAOYSA-N 357.460 3.870 0 40 FHAB CCCN(CCC)C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 33023915 UWIMMEQMBMFORJ-UHFFFAOYSA-N 363.461 3.707 0 40 FHAB C[C@@H]1CCc2[nH]c3ccc(C(=O)NC[C@H](c4ccco4)N(C)C)cc3c2C1 22130836 CDCDUBVJEDNQIG-JLTOFOAXSA-N 365.477 3.918 0 40 FHAB CCCCN1C(=O)/C(=C\c2c(F)cccc2Cl)C(C(=O)OC)=C1C 6647017 ZIISOYPMUJBNHT-RAXLEYEMSA-N 351.805 3.952 0 40 FHAB Cn1nc(C(F)(F)F)cc1C(=O)Nc1nc(-c2ccccc2)cs1 2755505 SEDXVICCEFGIGA-UHFFFAOYSA-N 352.341 3.815 0 40 FHAB O=C([C@H](Sc1nncn1-c1ccccc1)c1ccccc1)N1CCCC1 6974863 JWFFMDVKNKMQGS-GOSISDBHSA-N 364.474 3.723 0 40 FHAB Cc1ccc(C)c(C(=O)O[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1 7439165 ZWLWQLKLKRXUJZ-BZSISCHUSA-N 355.478 3.934 0 40 FHAB O=C(COc1ccccc1F)NCc1ccccc1CN1CCCCC1 7696796 UZFGRNRDEOJXGL-UHFFFAOYSA-N 356.441 3.507 0 40 FHAB COc1ccc(-c2c(C)nn3c(=O)cc(-c4ccccc4OC)[nH]c23)cc1 8020576 PKVWJPCCBYYWIS-UHFFFAOYSA-N 361.401 3.682 0 40 FHAB CCCNC(=O)c1nc(-c2ccc(F)cc2)n(-c2cc(C)ccc2C)n1 8476753 CPWWHCSOCAGNTM-UHFFFAOYSA-N 352.413 3.830 0 40 FHAB CCc1cccc(C)c1NC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 100628960 AHFFQKDYYDPBCG-NVXWUHKLSA-N 367.518 3.535 0 40 FHAB Cc1ccc(Nc2nc(C(=O)NCc3ccc4c(c3)OCO4)cs2)cc1 819393 UIQYJODNFZYPJK-UHFFFAOYSA-N 367.430 3.854 0 40 FHAB CC1(C)Oc2ccc(NC(=O)N3CCC(N4CCCCC4)CC3)cc2O1 47551940 KWSOZTAAJSKWPM-UHFFFAOYSA-N 359.470 3.676 0 40 FHAB Cc1ccc(Cn2ccc(NC(=O)c3noc4c3C[C@H](C)CC4)n2)cc1 20367464 GLAJRUOJDSJLPN-CQSZACIVSA-N 350.422 3.605 0 40 FHAB O=C(Nc1nc(-c2ccncc2)cs1)c1ccc2c(c1)OCCCO2 61717715 BTYVRWRCJZZXPO-UHFFFAOYSA-N 353.403 3.619 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)cc1 24833315 CSTBQHGZFKSXGE-INIZCTEOSA-N 367.445 3.589 0 40 FHAB Cc1c(C(=O)N2CCC3(CC2)OCCO3)oc2c1ccc1ccccc12 24996646 DBJMGFCLTDOURL-UHFFFAOYSA-N 351.402 3.874 0 40 FHAB Cc1ccc(C)c(NC(=O)[C@H](C)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1 56172211 KTBCDSDRBRUTJK-HOTGVXAUSA-N 365.477 3.866 0 40 FHAB CCCCCOC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1910394 XXRNEGSVPTUQJR-UHFFFAOYSA-N 356.447 3.858 0 40 FHAB CC(C)CCNC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 12601716 BEFZXPYZQHWFLO-CYBMUJFWSA-N 360.401 3.671 0 40 FHAB CC(=O)N(c1nnc(S[C@@H](C)C(=O)c2ccc(F)cc2)s1)C1CC1 25772178 CHFUTZKUGUHGCO-VIFPVBQESA-N 365.455 3.556 0 40 FHAB Cc1ccc(NCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1Cl 58019133 HEJCOXJTXGKWDK-CYBMUJFWSA-N 357.841 3.824 0 40 FHAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccc(Br)cc2Cl)[C@H]2C=C[C@H]1C2 102232558 XCXWNYGUCIDXKV-XMUKKISLSA-N 370.630 3.564 0 40 FHAB C[C@H]1CCCCN1C(=O)Cn1cc(C=O)c2cc(Br)ccc21 59109403 QQTJEMILAWPBLI-LBPRGKRZSA-N 363.255 3.617 0 40 FHAB O=C(CCc1nc2ccccc2s1)NCc1nc(-c2cccs2)no1 58224706 UPFVYLUZXDETRV-UHFFFAOYSA-N 370.459 3.657 0 40 FHAB CCN(CC)C(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1 57487277 WIYVOHUABKNETP-UHFFFAOYSA-N 358.829 3.727 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cccnc1Cl 3397129 HVSOQSINMADPSH-UHFFFAOYSA-N 369.204 3.501 0 40 FHAB CN(Cc1cccnc1)C[C@@H]1CCCN(C(=O)Nc2cccc(F)c2)C1 58330186 IBSXGVNJGXOFTN-KRWDZBQOSA-N 356.445 3.597 0 40 FHAB Cc1nc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)nn1-c1ccc(F)cc1 58408592 NZJQRVPPEVCXFG-GFCCVEGCSA-N 356.376 3.687 0 40 FHAB O=C(CCC(=O)c1cccs1)OCc1cc(Cl)cc2c1OCOC2 3350385 IMFKZZANFBARHU-UHFFFAOYSA-N 366.822 3.974 0 40 FHAB Cc1nnc2n(-c3ccc(Cl)cc3)c(=O)c3c4c(sc3n12)CCCC4 2264218 UJFNOMMSYRKNCN-UHFFFAOYSA-N 370.865 3.936 0 40 FHAB C[C@H](C(=O)N[C@H]1CCCc2ccccc21)n1cc(C(F)(F)F)ccc1=O 3363009 YVRNIAKDFSZULI-WBMJQRKESA-N 364.367 3.622 0 40 FHAB O=S(=O)(Nc1cccc(Br)c1)c1cccc2cccnc12 2503262 SLIJPYJRSGHUPV-UHFFFAOYSA-N 363.236 3.798 0 40 FHAB CN(Cc1ccc(Br)cc1)C(=O)NCCc1ccccc1F 12897654 KEEYOGGCWGDOHS-UHFFFAOYSA-N 365.246 3.972 0 40 FHAB CC(C)(C)c1ccc(OCCn2cc(C(=O)C(N)=O)c3ccccc32)cc1 408569555 JNFSNSGPVJLCLD-UHFFFAOYSA-N 364.445 3.686 0 40 FHAB COc1ccc(CC(=O)OCc2nc(-c3ccc(Cl)cc3)no2)cc1 12903575 VOPCYMZFLMGHQE-UHFFFAOYSA-N 358.781 3.685 0 40 FHAB O=C1O[C@H](C(=O)Nc2nc(-c3ccccc3)cs2)Cc2ccccc21 12974199 DWMDABJITKMCIT-INIZCTEOSA-N 350.399 3.530 0 40 FHAB Cc1ccc([C@]2(CC(=O)NCCCN(C)C)CCO[C@@H](C(C)C)C2)cc1 4084546 VPRGUMSCKKEJOK-IFMALSPDSA-N 360.542 3.526 0 40 FHAB biogenic Clc1cccc(-c2nnc3n2N=C(c2ccc4c(c2)OCO4)CS3)c1 5047266 PVQHIQIKSHEYMK-UHFFFAOYSA-N 370.821 3.685 0 40 FHAB CC(=O)Nc1nc2ccc(C(=O)Nc3cccc(C(C)=O)c3)cc2s1 13730199 JFJXWXPELMRSMT-UHFFFAOYSA-N 353.403 3.710 0 40 FHAB CCOC(=O)c1cnc(-n2cc(C)cn2)nc1Nc1ccc(C)cc1C 5111223 HQKCHKPYNCAQQI-UHFFFAOYSA-N 351.410 3.508 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)c1cc(Cl)nc(Cl)c1)CC2 5351751 NSZZPYGZDFZPKX-UHFFFAOYSA-N 367.232 3.604 0 40 FHAB COc1ccccc1CNC(=O)c1cccc(OCc2csc(C)n2)c1 14171940 FQSAWQWDJAMOOB-UHFFFAOYSA-N 368.458 3.969 0 40 FHAB C[C@@H](Sc1ccc2c(c1)CCC2)C(=O)NCc1ccc2c(c1)OCO2 14184754 BLIVLDIBMQUGSD-CYBMUJFWSA-N 355.459 3.701 0 40 FHAB CC(C)(C)C(=O)N1CCC(C(=O)N[C@H]2CCSc3ccccc32)CC1 14129317 JYDCRLUDQIWYKV-INIZCTEOSA-N 360.523 3.624 0 40 FHAB Cc1nc2ccc(S(=O)(=O)NCCc3ccc(Cl)cc3)cc2s1 4525663 IOANZBYMGCOORE-UHFFFAOYSA-N 366.895 3.779 0 40 FHAB COC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1cc2c(F)cccc2s1 65726858 KZCBZLXSVOYESC-HNNXBMFYSA-N 355.390 3.785 0 40 FHAB Cc1n[nH]c(C)c1NC(=O)CSc1ncc(C(F)(F)F)cc1Cl 6508042 LTGKCPPZLBQGKH-UHFFFAOYSA-N 364.780 3.825 0 40 FHAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N1CCCCC1 6549653 SJMWLTKIBAFZQB-CQSZACIVSA-N 356.495 3.638 0 40 FHAB C[C@@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)c1ccccc1 5561528 GYMISQOTHSKEPP-DUXSXAKTSA-N 366.486 3.912 0 40 FHAB O=c1c(Cl)cc(C(F)(F)F)cn1Cc1nnc(-c2ccccc2)o1 6625974 JJCIQVLFOOCCST-UHFFFAOYSA-N 355.703 3.619 0 40 FHAB COc1cc(C)cc2oc(=O)c(CC(=O)NC3CCCCCC3)c(C)c12 6660280 LMWMBNDWMWONJA-UHFFFAOYSA-N 357.450 3.800 0 40 FHAB CCOC(=O)c1cc(NCc2ccc(CC)cc2)ccc1N1CCOCC1 4705474 OQBZLYUCXBXHCF-UHFFFAOYSA-N 368.477 3.874 0 40 FHAB Cc1nnc(CSc2nnc(Cc3cccs3)n2-c2ccccc2)o1 6993206 HLBKCONCAOPDLM-UHFFFAOYSA-N 369.475 3.903 0 40 FHAB Cc1ccc2c(COC(=O)COc3ccc(Cl)cc3)cc(=O)oc2c1 6942168 DSJYJQCYVVNPEL-UHFFFAOYSA-N 358.777 3.877 0 40 FHAB O=C(CSc1nccn(-c2ccccc2)c1=O)Nc1ccc(Cl)cc1 6915237 CUROSMITNNCXLT-UHFFFAOYSA-N 371.849 3.617 0 40 FHAB Fc1cccc(CN2CC[C@@]3(C2)Cn2c(-c4cccs4)cnc2CO3)c1 306135035 OFJYNVBZIDFYAS-HXUWFJFHSA-N 369.465 3.926 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1 7651835 LDFNAKHUIIOBAK-UHFFFAOYSA-N 374.506 3.895 0 40 FHAB O=C(CCC(=O)c1ccc2ccccc2c1)NCc1ccc2c(c1)OCO2 7753867 INUYHTHDVDFWMI-UHFFFAOYSA-N 361.397 3.848 0 40 FHAB C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@@H](C)c2cccc(Cl)c2)C1=O 16204896 XSYPPUZDVMRZPJ-KBPBESRZSA-N 372.852 3.721 0 40 FHAB CC(=O)Nc1cccc(OCC(=O)c2cc(C)n(Cc3ccco3)c2C)c1 7987732 RDXWMVCEUCZNCW-UHFFFAOYSA-N 366.417 3.966 0 40 FHAB Cc1noc(C)c1[C@@H](C)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 69350380 IMULRNUNZUBZMV-CXAGYDPISA-N 370.449 3.920 0 40 FHAB C[C@@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1cccnc1 8341957 MCASXMAUZFQYKF-LLVKDONJSA-N 373.865 3.557 0 40 FHAB CCOC(=O)C[C@@H](NCc1ccc2c(c1)OCO2)c1ccccc1Cl 19848721 IPGLZCKRRGVLFN-MRXNPFEDSA-N 361.825 3.853 0 40 FHAB Cc1[nH]sc(=N)c1C(=O)OCc1nnc(-c2ccc(C(C)(C)C)cc2)o1 9500239 IXBMYBWHVDJIJG-UHFFFAOYSA-N 372.450 3.569 0 40 FHAB CCCCCCOc1ccc(C(=O)NCC[C@@H](O)C(C)C)cc1OC 72295775 PFDMINFYRIJBPI-QGZVFWFLSA-N 351.487 3.791 0 40 FHAB CCc1nn2c(c1-c1ccccc1)NC(=O)[C@@H]2CC(=O)Nc1ccc(C)cc1 72453189 JBFANAVIAYNEDF-SFHVURJKSA-N 374.444 3.943 0 40 FHAB CC(=O)N1CC2=Nc3cccc4[nH]cc(c34)[C@H](c3ccc(O)cc3)C2=C1O 1547211724 QVDUGFOSHHWGLI-SFHVURJKSA-N 359.385 3.723 0 40 FHAB COC(=O)C[C@H](c1oc(CSc2ccccc2)cc(=O)c1O)C(C)C 95472580 KBJCIQUTQFZBTN-HNNXBMFYSA-N 362.447 3.940 0 40 FHAB O=C(Cn1nc(COc2ccccc2)oc1=S)Nc1ccccc1F 409156694 UEFFNJRIBQOSBY-UHFFFAOYSA-N 359.382 3.562 0 40 FHAB O=C(Nc1cnc2ccccc2c1)C(=O)N1CCC[C@@H]1c1ccsc1 95954137 WLAPQVVVLPSQGW-QGZVFWFLSA-N 351.431 3.599 0 40 FHAB O=C(NCc1cccc(COC2CCOCC2)c1)c1scnc1C1CC1 89808722 JKCAFMCDDRBEAK-UHFFFAOYSA-N 372.490 3.646 0 40 FHAB O=C(NCCSCc1ccccc1Cl)[C@H]1COc2ccccc2O1 20239203 LLUTVMWNVRVBFC-QGZVFWFLSA-N 363.866 3.529 0 40 FHAB Fc1ccc(CN2C[C@H]3Cc4cnc(NCc5ccccc5)nc4[C@@H]3C2)cc1 306133504 MNHVZYJNBPGKFF-TZIWHRDSSA-N 374.463 4.000 0 40 FHAB CC(C)Oc1cccc(NC(=O)c2ccc(CN3CCOCC3)cc2)c1 408566765 OPXUELNEOUTVEX-UHFFFAOYSA-N 354.450 3.558 0 40 FHAB CCOc1cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)ccc1O 408802801 HPNMAMKIWHBNIR-UHFFFAOYSA-N 359.402 3.693 0 40 FHAB CC(C)[C@@H](C)NS(=O)(=O)c1ccc(CN2CCCc3ccccc32)cc1 521396804 XJPYCMAHUITUGJ-QGZVFWFLSA-N 372.534 3.962 0 40 FHAB O=C(Cn1ccc2ccc(F)cc21)Nc1nc(-c2cccnc2)cs1 71286059 RXGCJEHFXVSVPD-UHFFFAOYSA-N 352.394 3.938 0 40 FHAB CCC[C@H](C(=O)O)N1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S 35648953 BHHUFOSCVXVOII-LAPSENCUSA-N 373.858 3.934 0 40 FHAB O=C(N[C@H]1CCCOc2ccccc21)N1CC[C@@H](c2ccc(O)cc2)C1 1563889239 RERODVVJELZEDB-APWZRJJASA-N 352.434 3.805 0 40 FHAB CCOC(=O)c1cccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)c1 36463878 JCHXGLNWUKYHLP-UHFFFAOYSA-N 369.442 3.842 0 40 FHAB Cc1cccc(CN2CCC(c3cncc(Oc4cccnc4)n3)CC2)n1 72384175 UYXUJAHBHMHPAT-UHFFFAOYSA-N 361.449 3.747 0 40 FHAB O=C(CCCNC(=O)c1ccco1)NCC1(c2ccccc2)CCCCC1 40082644 ASDHIAGSUSMIMC-UHFFFAOYSA-N 368.477 3.808 0 40 FHAB CCCSc1nnc(NS(=O)(=O)c2ccc3ccccc3c2)s1 41017514 ZFIRXAGYWAOZRA-UHFFFAOYSA-N 365.505 3.994 0 40 FHAB COc1ccc(-c2noc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 72328596 YVMGDNZKJZDQOQ-UHFFFAOYSA-N 359.426 3.860 0 40 FHAB COc1ccc(-c2nnc(NC(=O)CCc3ccc(F)cc3)s2)cc1 224532953 ITGRZTCZFYHCRI-UHFFFAOYSA-N 357.410 3.924 0 40 FHAB Cc1ccccc1CSCCNC(=S)Nc1ccc2c(c1)OCO2 225360814 WPPNQJSCBAIQPO-UHFFFAOYSA-N 360.504 3.944 0 40 FHAB Cc1ccc(CN2CCCn3cnc(COCc4ccco4)c3C2)s1 96059037 ARWUHHLMCGMSNV-UHFFFAOYSA-N 357.479 3.969 0 40 FHAB CNc1cc(C)nc([C@H]2CCN(C(=O)c3cc4ccc(F)cc4[nH]3)C2)c1 257320707 VYEFIRNNGRIYSB-AWEZNQCLSA-N 352.413 3.682 0 40 FHAB O=C(Cn1ncc2ccccc21)N[C@@H](c1cccc(F)c1F)C(F)(F)F 542202110 XZWQIFIQSMQJAN-INIZCTEOSA-N 369.293 3.734 0 40 FHAB Cc1ncsc1CN1CCN(C)C[C@@H](Cc2cncc3ccccc23)C1 257316683 VGNYXBRLOJJHIJ-QGZVFWFLSA-N 366.534 3.606 0 40 FHAB C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)N[C@@H]1CCCc2occc21 287647435 RAFIUZLVKMFBAO-CZUORRHYSA-N 369.469 3.693 0 40 FHAB COc1ccccc1-c1n[nH]c2c1CCN(C(=O)C1(C)CCCCC1)CC2 585110435 VLSHERCDNDLDHL-UHFFFAOYSA-N 367.493 3.983 0 40 FHAB CN(C)c1ccc(-c2ncn3c2[C@@H](NC(=O)Cc2ccccc2)CCC3)cc1 585110702 WDHMQNOHOPMSIX-FQEVSTJZSA-N 374.488 3.810 0 40 FHAB Cc1cccc([C@H](CNC(=O)c2sccc2C2CC2)N2CCOCC2)c1 67163598 NZSAQQBJKLWZTC-IBGZPJMESA-N 370.518 3.737 0 40 FHAB Cc1cc(C)nc(SCc2nnc(S)n2-c2cccc(Cl)c2)n1 5448129 BEZLVTVWHQCLOX-UHFFFAOYSA-N 363.899 3.909 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 5464446 CYHJDVWLUMALGS-MRXNPFEDSA-N 352.434 3.694 0 40 FHAB C[C@@H]1C[C@@]2(C[C@H](CN(C3CCCCC3)C3CCCCC3)OC2=O)C(=O)O1 5495946 NEYOBFYBCKOYGK-FQELHTAISA-N 363.498 3.591 0 40 FHAB CC(=C/c1ccccc1)/C=C1/NC(=S)N(CN2CCCCCC2)C1=O 5854805 CNEMYHOTGQXXLA-ODINJJDSSA-N 355.507 3.524 0 40 FHAB CC(=O)N1CCCc2cc([C@@H](O)CN3CCC(C(C)(C)C)CC3)ccc21 12291254 XJZKVLDHCCDACP-NRFANRHFSA-N 358.526 3.777 0 40 FHAB COc1ccccc1CNCc1cc2cc3c(cc2nc1Cl)OCO3 13535432 ZXPCAFMCKNLEQJ-UHFFFAOYSA-N 356.809 3.915 0 40 FHAB CC(C)Oc1cccc(CNS(=O)(=O)Cc2c(F)cccc2Cl)c1 13667998 UZCMLVXUWJOUBE-UHFFFAOYSA-N 371.861 3.886 0 40 FHAB CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC 17327678 NMLUOJBSAYAYEM-XPOGPMDLSA-N 368.477 3.817 0 40 FHAB C[C@H](C(=O)N1CCC[C@H](COc2ccccc2F)C1)n1cc(Cl)cn1 19078257 MPWVCQUTRREFPD-KGLIPLIRSA-N 365.836 3.554 0 40 FHAB Cc1ccc(-c2nc(NCCN3CCOCC3)ncc2-c2ccsc2)o1 19216695 USHZVSQUBDBFGI-UHFFFAOYSA-N 370.478 3.518 0 40 FHAB CCc1s/c(=N\S(=O)(=O)c2ccc(C)cc2)n(C)c1-c1ccccc1 8080633 JYOOLZULTDQABO-VXPUYCOJSA-N 372.515 3.914 0 40 FHAB COc1c(C)c2c(c(O)c1C/C=C(\C)CCC[C@H](C)C(=O)O)C(=O)OC2 35466164 QPRODDKTRBCFPV-OBIHZWKSSA-N 362.422 3.759 0 40 FHAB biogenic,in-vitro COc1ccc(C)cc1NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 5701545 QNODLGRJAMUCPQ-VQHVLOKHSA-N 357.406 3.681 0 40 FHAB Cc1nccn1CC1CN(C(=O)c2ccc3noc(-c4ccccc4)c3c2)C1 1889281974 YHLZNRBOULNGHK-UHFFFAOYSA-N 372.428 3.772 0 40 FHAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2occc2COc2ccccc2)n1 40121507 DYXLUHPPYIDONQ-HNNXBMFYSA-N 367.449 3.738 0 40 FHAB O=C(c1cccc(OC(F)(F)F)c1)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1565519424 HMVGYEFDZKRVFQ-KBPBESRZSA-N 365.355 3.790 0 40 FHAB Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3cccs3)co2)n1 4377373 BYGOBENSFXHHET-UHFFFAOYSA-N 374.443 3.620 0 40 FHAB NC(=O)c1c(NC(=O)c2ccc3ncsc3c2)sc2c1CCCCC2 6495555 PAZVAHRXAKSPQQ-UHFFFAOYSA-N 371.487 3.978 0 40 FHAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCc2ccccc2C1 11694329 GODCHRCZKPCVAK-UHFFFAOYSA-N 365.408 3.609 0 40 FHAB O=C(O)c1cc(-c2ccc(Cl)s2)nc2c1cnn2Cc1ccncc1 8391774 SKQWVUSYPQLIFD-UHFFFAOYSA-N 370.821 3.955 0 40 FHAB CCN(CC)[C@@H](CNC(=O)c1ccccc1-n1cccn1)c1ccsc1 40154364 CEWFDMUWPPXOKG-IBGZPJMESA-N 368.506 3.747 0 40 FHAB CC(C)[C@@H](NC(=O)CCCNC(=O)c1ccco1)c1ccc(Cl)cc1 32883683 FWZNPLIBDCNCDN-GOSISDBHSA-N 362.857 3.957 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)COc1ccc2c(c1)CCC2 2661094 KFIPEBDOPSHWLU-UHFFFAOYSA-N 363.413 3.770 0 40 FHAB CCc1ccc2nc(NC(=O)CS(=O)(=O)c3ccc(C)cc3)sc2c1 2635320 KIAHOKSYRNEMCP-UHFFFAOYSA-N 374.487 3.580 0 40 FHAB CCc1nc(SCC(=O)Nc2cc(C)on2)c2c(C)c(C)sc2n1 1372152 YXPSRRCAFSYXGO-UHFFFAOYSA-N 362.480 3.898 0 40 FHAB Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1ccc(O)c(C(F)(F)F)c1 79076329 QDAKOSDKSRPAMN-SECBINFHSA-N 355.360 3.579 0 40 FHAB CCOC(=O)c1c(NC(=O)c2cc(CC(C)C)on2)sc(C)c1C 2498118 CPJAFXMZQWWRSB-UHFFFAOYSA-N 350.440 3.980 0 40 FHAB COc1ccc(NC(=O)Cc2ccccc2F)cc1N1CCCCC1=O 32924851 ZIJBUSHFWQTPDQ-UHFFFAOYSA-N 356.397 3.532 0 40 FHAB O=c1c2ccc(Cl)cc2ncn1Cc1c(F)c(F)c(F)c(F)c1F 3131472 MOAQXXTUMBKGCF-UHFFFAOYSA-N 360.669 3.794 0 40 FHAB Cc1cc(C(=O)NCCCn2nc(C)c(Br)c2C)sc1C 2732524 JRNFWHGIYIZRRG-UHFFFAOYSA-N 370.316 3.761 0 40 FHAB CCN(CC)c1ccc(C(=O)OCC(=O)Nc2ccccc2Cl)cc1 4505605 GFXCROLABVGUGW-UHFFFAOYSA-N 360.841 3.982 0 40 FHAB CCN(C(=O)CCc1nc(-c2ccc(OC)cc2)no1)c1ccccc1 4933264 JUMHFNFGNZDUFO-UHFFFAOYSA-N 351.406 3.731 0 40 FHAB Cn1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc2cc(Cl)ccc21 6969595 ZLPBBBZPVGZOEB-UHFFFAOYSA-N 371.843 3.933 0 40 FHAB CCCc1nnc(SCC(=O)Nc2ccc(Br)cc2)o1 7604925 MUFKEOXSMMFKOZ-UHFFFAOYSA-N 356.245 3.515 0 40 FHAB CCc1cccc(CC)c1N1C[C@H](C(=O)NC2CCC(C)CC2)CC1=O 7928235 QFOKZCFJNXHJPW-ZCDLSOSASA-N 356.510 3.859 0 40 FHAB NC(=O)Nc1cccc(C(=O)OCCOc2c(Cl)cccc2Cl)c1 7690931 DUNGCDUOGVMLCR-UHFFFAOYSA-N 369.204 3.720 0 40 FHAB C[C@@]1(CCc2ccccc2)NC(=O)N(CCOc2ccccc2Cl)C1=O 8390089 DYBMBINJNGUJAQ-FQEVSTJZSA-N 372.852 3.662 0 40 FHAB Cc1cccc(C)c1NC(=O)COC(=O)CCCC(=O)Nc1ccccc1 8412760 PVYMYHWMRKRFQY-UHFFFAOYSA-N 368.433 3.594 0 40 FHAB Cc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2C)C1=O 8570752 FRQFREMCGBVDKU-GZTJUZNOSA-N 366.442 3.978 0 40 FHAB C[C@H]1CCN(C(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c2ccccc21 41968652 QGTHONWOSLLCTO-GVDBMIGSSA-N 365.477 3.849 0 40 FHAB O=C(Nc1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1)c1ccco1 22411534 YQPFSSUEQRPUQI-ACCUITESSA-N 368.414 3.945 0 40 FHAB COc1ccc(CC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 12232732 HKGZIYLASPIPBH-UHFFFAOYSA-N 366.442 3.704 0 40 FHAB CC(C)(C)NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12 845066 HCLNBSUINUTCOA-UHFFFAOYSA-N 352.316 3.536 0 40 FHAB O=C(Nc1cccc(Br)c1)c1cc2ccc(O)cc2oc1=O 845986 RERFIJHFGLIZKU-UHFFFAOYSA-N 360.163 3.513 0 40 FHAB C[C@@H]1CCc2sc(C(=O)OCCCn3c(=O)[nH]c4ccccc43)cc2C1 23761298 HDOUCKYIHOGPBB-CYBMUJFWSA-N 370.474 3.763 0 40 FHAB C[C@@H](NC(=O)Nc1ccc(N2CCOCC2)nc1)c1cc2ccccc2o1 55079740 KCVQZHOCLPVEJL-CQSZACIVSA-N 366.421 3.547 0 40 FHAB C[C@H](NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 106071835 DKMWYGWJLCFGPZ-MRHSLFKSSA-N 355.482 3.869 0 40 FHAB C[C@H]1Cc2cc(-c3csc(-c4ccco4)n3)ccc2N1S(C)(=O)=O 25204701 MQYJQVFWWKVSBO-NSHDSACASA-N 360.460 3.781 0 40 FHAB CCCn1c(NC(=O)C[C@H](NC(C)=O)c2cccs2)nc2ccccc21 12507138 LRGXWYSLEBGOAU-HNNXBMFYSA-N 370.478 3.714 0 40 FHAB COc1cc(CNCCOc2ccccn2)ccc1OCc1cccs1 57354909 PUMWMUQKAJDRJZ-UHFFFAOYSA-N 370.474 3.899 0 40 FHAB O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)Nn1cnc2ccccc21 69717546 XTZQDUGKJQOMFZ-HNNXBMFYSA-N 372.375 3.968 0 40 FHAB COC(=O)c1cc(NS(=O)(=O)c2ccccc2Cl)ccc1Cl 44330241 KFCVLOHHMRYVLI-UHFFFAOYSA-N 360.218 3.581 0 40 FHAB COC(=O)[C@@]1(CC=C(C)C)C(=O)C[C@H]2CC[C@H]1N2Cc1cccc(OC)c1 100190065 WBSLODQSNBEOIO-SFGWALBWSA-N 371.477 3.517 0 40 FHAB O=C(COc1ccccc1C(=O)O)Nc1ccc(SC(F)F)cc1 3259186 RUSYUUPLCCGCGN-UHFFFAOYSA-N 353.346 3.717 0 40 FHAB O=C(Cc1ccc2c(c1)CCCC2)Nc1cccnc1N1CCSCC1 58161430 ZXECJVGXRWHBQN-UHFFFAOYSA-N 367.518 3.695 0 40 FHAB CCOc1ccc2nc(NC(=O)Cc3ccc(OC)c(OC)c3)sc2c1 3248769 FCXWVZLHYGNBSF-UHFFFAOYSA-N 372.446 3.893 0 40 FHAB CC(=O)c1cc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)n(C)c1 58295264 KKGIGDLFMZAUTL-UHFFFAOYSA-N 353.353 3.806 0 40 FHAB COCCCNc1ncnc2c1sc1nc(C)c3c(c12)CC(C)(C)OC3 2265870 JWTSDWUALLQORE-UHFFFAOYSA-N 372.494 3.848 0 40 FHAB C[C@H]1CCCCN1C(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 12601789 WONLJMFMYNSLQU-HZMBPMFUSA-N 372.412 3.909 0 40 FHAB O=C(Cc1ccc(F)cc1)NCc1cccc(OCc2ccccn2)c1 36390599 OALDBDIFUFBXSG-UHFFFAOYSA-N 350.393 3.659 0 40 FHAB CC(C)CN1CCC(NC(=O)N[C@@H](C)Cc2ccc(Cl)cc2)CC1 45462699 SERVXQDMCOJYGG-HNNXBMFYSA-N 351.922 3.691 0 40 FHAB CC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1 28844095 VWMYSFJFQXVMMB-NSHDSACASA-N 363.364 3.686 0 40 FHAB Cc1ccc(CNC(=O)COC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1 3383610 LOCLBDJAIVZBKV-AWEZNQCLSA-N 357.475 3.655 0 40 FHAB CC[C@@H]1CCCCN1C(=O)COC(=O)C1(c2ccccc2F)CCCC1 3378831 SMYKDDHOUHWXMB-MRXNPFEDSA-N 361.457 3.972 0 40 FHAB CC(=O)Nc1ccc(CNC(=O)COc2cc(C(C)C)ccc2C)cc1 12788437 YHXVDOVIRANMOQ-UHFFFAOYSA-N 354.450 3.772 0 40 FHAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2c(F)cccc2F)N(C)C(=O)N1C 12898380 YLHOYNOJRFGNJT-GOSISDBHSA-N 371.387 3.916 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)COc1cccc(Br)c1 3430246 ILYSUOSAVDMAJB-CQSZACIVSA-N 362.267 3.965 0 40 FHAB COc1ccccc1NC(=O)COc1ccc(F)cc1Br 3510491 GYRJUZMRHNRNIK-UHFFFAOYSA-N 354.175 3.614 0 40 FHAB COc1ccc(CCC(=O)Nc2ccc3ncn(C(C)C)c(=O)c3c2)cc1 96221845 CWDUCZUHMZAFSG-UHFFFAOYSA-N 365.433 3.557 0 40 FHAB biogenic CCC[C@H](NC(=O)[C@@H](C)NCCOc1ccccc1F)c1ccccc1 49581036 NEYHJMQJMKWEME-APWZRJJASA-N 358.457 3.840 0 40 FHAB Cc1cccc(-n2ccnc2SCC(=O)Nc2c(C)nn(C)c2C)c1C 19299288 DFLOVMJSXQYLRM-UHFFFAOYSA-N 369.494 3.570 0 40 FHAB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cnccn1 6333635 OXOASNJYSXJVBI-UHFFFAOYSA-N 361.224 3.615 0 40 FHAB Cc1cc(C(=O)CSc2nnc(C(F)(F)F)n2C)c(C)n1C(C)C 14093692 WYERWNNRSNJWGN-UHFFFAOYSA-N 360.405 3.808 0 40 FHAB CCCc1cc(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)[nH]n1 65529453 IUUBTYOLJDMOIA-UHFFFAOYSA-N 353.344 3.854 0 40 FHAB COc1ccc(-c2nc(CC(=O)NCCOc3ccccc3)cs2)cc1 14163808 QFRXALRPIKRAJR-UHFFFAOYSA-N 368.458 3.556 0 40 FHAB COc1ccc(NC(=O)CC(C)CC(=O)Nc2ccc(OC)cc2)cc1 4691043 DDZNUWHWFXBZFC-UHFFFAOYSA-N 356.422 3.697 0 40 FHAB CN1CCN(Cc2ccccc2C(=O)c2cc(Cl)cc(Cl)c2)CC1 22028251 KZAKKVIVGHBEFZ-UHFFFAOYSA-N 363.288 3.972 0 40 FHAB Cc1ccc2c(CN3C(=O)N[C@](C)(CCC(C)C)C3=O)cc(=O)oc2c1C 6608788 XBIPXYXMLZXILN-OAQYLSRUSA-N 370.449 3.657 0 40 FHAB CC(=O)N1c2ncnn2[C@@H](c2ccc(F)cc2)C[C@H]1c1ccc(C)cc1 4816577 KYSWRNRVKSRDLU-RBUKOAKNSA-N 350.397 3.813 0 40 FHAB CCc1ccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1 4807156 ZXRDDZCESWWQSM-UHFFFAOYSA-N 366.442 3.550 0 40 FHAB CN1CCN(C(=O)c2cc(F)c(F)cc2Cl)c2nc3ccccc3nc21 14900993 LOYREKFKFCHGLK-UHFFFAOYSA-N 374.778 3.658 0 40 FHAB Cc1cc(C(=O)COC(=O)c2ccc(Cl)nc2)c(C)n1CC(F)(F)F 6945462 HNSDAGOYHHFZNX-UHFFFAOYSA-N 374.746 3.755 0 40 FHAB COC(=O)c1ccc([C@@H]2c3c(C)n[nH]c3C(=O)N2c2ccc(C)cc2)cc1 4928771 QQXYVCDNGJFOJM-LJQANCHMSA-N 361.401 3.563 0 40 FHAB C[C@@H](NC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1)C12CC3CC(CC(C3)C1)C2 7397937 AMWZFBDFFJRBKR-HNHRMCJHSA-N 367.489 3.879 0 40 FHAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(Br)s1 7306070 WQIIRLDUCJEENT-SECBINFHSA-N 358.282 3.651 0 40 FHAB COc1cc(OC)c(NS(=O)(=O)/C=C/c2ccccc2)cc1Cl 7381477 DHAQRHKOATXFIE-CMDGGOBGSA-N 353.827 3.770 0 40 FHAB CCOc1ccc(CC(=O)OCC(=O)Nc2cc(Cl)ccc2C)cc1 7974363 ZFPMNXUZJRGQEU-UHFFFAOYSA-N 361.825 3.772 0 40 FHAB Cc1ccc2c(CC(=O)Nc3nc4c(s3)CN(C)CC4)coc2c1C 16490256 HUPMGFTYRIZGTD-UHFFFAOYSA-N 355.463 3.675 0 40 FHAB CNc1snc(C)c1C(=O)OCc1cc(Cl)c2c(c1)OCCCO2 16553276 KGGQTJCANDNBOP-UHFFFAOYSA-N 368.842 3.665 0 40 FHAB c1ccc2oc(-c3nnc4sc(CN5CCCCCC5)nn34)cc2c1 96194076 KXPZNMQARYZTSY-UHFFFAOYSA-N 353.451 3.975 0 40 FHAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1Cc1ccc(Cl)c(Cl)c1 8278922 YCCIFHUGCKBZCO-SFHVURJKSA-N 361.228 3.887 0 40 FHAB O=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1CC(=O)N(c2ccccc2)C1 8216508 OOBJAXRMSGOLRG-OAHLLOKOSA-N 363.442 3.802 0 40 FHAB CN(C)S(=O)(=O)c1cccc(COc2cc(Cl)ccc2Cl)c1 8312426 BLKZWPNYYSSHCW-UHFFFAOYSA-N 360.262 3.823 0 40 FHAB CN(C)C(=O)C[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccccc1 83844011 QOPGVKGHLSJNMR-KRWDZBQOSA-N 370.518 3.966 0 40 FHAB CCNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC 9848326 ZRTHBYNIJFYUSI-UHFFFAOYSA-N 359.282 3.500 0 40 FHAB O=C(Cc1cnn(-c2ccccc2)n1)Nc1ccc(F)c(C(F)(F)F)c1 84576801 UPURVURBQZYEQE-UHFFFAOYSA-N 364.302 3.606 0 40 FHAB Cc1ccc(Nc2cccc(C(=O)N3CCOc4ccc(F)cc43)c2)nn1 88360269 LPYNKFBLIWFFRK-UHFFFAOYSA-N 364.380 3.707 0 40 FHAB CC(C)c1nnc(NC(=O)c2cc(O)c(OCc3ccccc3)cn2)s1 61718963 AYLWQCFIXSTKDD-UHFFFAOYSA-N 370.434 3.593 0 40 FHAB CN(C=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118924373 HLDTUQUVDSWHQL-JASYKLOUSA-N 359.510 3.948 0 40 FHAB CC(C)CN1C(=O)/C(=C\c2ccccc2OCC(=O)O)c2ccccc21 409114706 IVHDRCFGSOPHQO-BOPFTXTBSA-N 351.402 3.693 0 40 FHAB Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(Cc3cccnc3)C2)n1 72345952 XNRRKZXLHWVZJW-KRWDZBQOSA-N 363.440 3.640 0 40 FHAB O=S(=O)(c1ccc(Cl)cc1)[C@@H]1[C@H](CO)[C@@H]1c1ccc(Cl)cc1 218592043 NRFDIODVMCMEAO-OWCLPIDISA-N 357.258 3.542 0 40 FHAB Cc1ccccc1NC(=O)CC[C@H]1N=C(O)N([C@H](C)c2ccccc2)C1=O 36597242 PXOUVTBTWKZDIH-CRAIPNDOSA-N 365.433 3.600 0 40 FHAB COc1ccc(NC(=O)Cc2cccc(Br)c2)cc1OC 72064048 FJICWCZHGWGRCH-UHFFFAOYSA-N 350.212 3.648 0 40 FHAB CC(=O)c1cccc(NC(=O)CN(C)c2nc3c(F)cccc3s2)c1 70973602 CKQXORHNLPTJGW-UHFFFAOYSA-N 357.410 3.713 0 40 FHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)c1 216199520 KMSXHIJLYUFSCZ-MBOZVWFJSA-N 360.542 3.863 0 40 FHAB COCc1c(C(=O)OCc2cn3cccc(C)c3n2)oc2ccccc12 32823744 PVTRLNIOVXRNNS-UHFFFAOYSA-N 350.374 3.892 0 40 FHAB CCc1cccc(CC)c1NS(=O)(=O)c1cc(C(=O)OC)ccc1F 223429746 XUZIKLUUPPHGBM-UHFFFAOYSA-N 365.426 3.538 0 40 FHAB Cc1ccccc1CS(=O)(=O)NCCOc1cccc2ccccc12 223539923 IXOOSIORDGIHJT-UHFFFAOYSA-N 355.459 3.647 0 40 FHAB COC(=O)c1cccc(NC(=O)COc2cccc(C(F)(F)F)c2)c1C 44625192 GOILJFJMHFLROR-UHFFFAOYSA-N 367.323 3.818 0 40 FHAB COc1cccc(-c2noc(CN(C)C(=O)c3ccc(C)cc3C)n2)c1 224292091 OPXARNNWFBRLDR-UHFFFAOYSA-N 351.406 3.634 0 40 FHAB COCCNC(=O)c1ccc(Nc2ccc(Cl)c(Cl)c2)c(N)c1 225428449 ILDCIJYXAOXBHG-UHFFFAOYSA-N 354.237 3.695 0 40 FHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)/C=C/c1c(F)cccc1F 40131256 RGYBWNJGJOIDAR-VNDWYCCKSA-N 368.387 3.778 0 40 FHAB S=C(Nc1ccc2c(c1)OCCO2)NC1(c2ccncc2)CCCC1 225857855 INCWFWBFUHYABE-UHFFFAOYSA-N 355.463 3.609 0 40 FHAB CC(C)n1cc(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2c1=O 80330520 KNJKSIOJYRLOKW-UHFFFAOYSA-N 364.401 3.606 0 40 FHAB O=C(CCCN1C(=O)c2cccc3cccc1c23)NCCOc1ccccc1 224556075 GVPCDNBOAHWSQE-UHFFFAOYSA-N 374.440 3.775 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C)c1 224193759 XVDHCMXIHAJGKK-HZPDHXFCSA-N 357.450 3.965 0 40 FHAB Cc1c(C(=O)N2CCCN3c4ccccc4C[C@@H]3C2)c(O)nc2ccccc12 329548992 FDCHJYMTWLORCR-QGZVFWFLSA-N 373.456 3.526 0 40 FHAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc2c(c1)N=C(O)CO2 95480283 ZABRUBQWBBBTOF-UHFFFAOYSA-N 369.808 3.774 0 40 FHAB Fc1ccc(CN2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)cc1 96056435 ZFKVYADPDHMPRF-NJDAHSKKSA-N 356.441 3.559 0 40 FHAB COc1cccc2cc(C(=O)NC[C@@H](c3ccsc3)N3CCC3)oc12 252535986 HJVFZNHZJWHZPK-HNNXBMFYSA-N 356.447 3.680 0 40 FHAB CN(C)C(=O)c1sc2nccnc2c1C1CCN(C2CCCC2)CC1 257254971 KFNYMGCVDKMJCZ-UHFFFAOYSA-N 358.511 3.515 0 40 FHAB CO[C@@H](C(=O)Nc1ccc(C)cc1-c1nc2ccccc2[nH]1)[C@H]1CCOC1 622789557 SIBIDUPLXIWKIM-IFXJQAMLSA-N 365.433 3.528 0 40 FHAB CN(Cc1cc(O)ccc1Cl)[C@@H](CO)c1cccc(Br)c1 1657823295 XOFZWFNFAMQWMC-INIZCTEOSA-N 370.674 3.974 0 40 FHAB CCn1ncc2cc(C(=O)N3c4ccccc4N(C)CC[C@H]3C)c(C)nc21 685041248 IVVCQCSNHAOANO-CQSZACIVSA-N 363.465 3.635 0 40 FHAB CO[C@H]1CCN(c2ccc(NC(=O)c3ccc(-n4cccc4)cc3)cc2)C1 96122284 CHPFZDBARCPLCP-NRFANRHFSA-N 361.445 3.955 0 40 FHAB CC[C@](CNS(=O)(=O)c1ccc(Cl)s1)(OC)c1ccccc1 96391898 CPDJBUKCQOYNAT-OAHLLOKOSA-N 359.900 3.632 0 40 FHAB CC(=O)N1CCN(C2CCCC2)C[C@@H](Cc2cccc3cccnc23)C1 1615189927 ASEHHEQIJSBOND-SFHVURJKSA-N 351.494 3.500 0 40 FHAB CC(C)(C)NC(=O)[C]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 1560410128 VMDWBVABBHXNND-FOEKUPNGSA-N 371.545 3.773 0 40 FHAB CCCCOC(=O)c1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1 5637497 XXSVKOTYFGZGCJ-UHFFFAOYSA-N 369.417 3.596 0 40 FHAB COc1cc2c(cc1C/C=C\c1cc(OC)c(OC)c(OC)c1)OCO2 5765677 UNZZQSKOEXDWKP-WAYWQWQTSA-N 358.390 3.706 0 40 FHAB Cc1c(/C=C/C2=CCN(C)CC2)c2ccccc2n1CC(=O)N1CCCC1 12117147 SDTCBAJSAHFYNM-MDZDMXLPSA-N 363.505 3.847 0 40 FHAB CCc1ccc2[nH]c(=O)c(CNc3cc(OC)c(OC)c(OC)c3)cc2c1 12144301 NVOQVRDAAGMOTG-UHFFFAOYSA-N 368.433 3.728 0 40 FHAB COc1ccc(C)cc1NC(=O)COc1cc2ccccc2cc1C(=O)O 13049734 NLMYCLGPFLROPQ-UHFFFAOYSA-N 365.385 3.873 0 40 FHAB CC(C)c1ccc(S(=O)(=O)Nc2ccn(Cc3ccc(F)cc3)n2)cc1 14225547 OJNNRZDCQLRTQC-UHFFFAOYSA-N 373.453 3.995 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(OC)cc1 14400309 AMFGASWVTABFMA-LSDHHAIUSA-N 370.449 3.630 0 40 FHAB O=C(NC[C@@H]1CCC[C@@H](CNC(=O)c2ccccc2)C1)c1ccccc1 16476719 ZKTVNVAMZHNMJN-QZTJIDSGSA-N 350.462 3.653 0 40 FHAB Cc1cc2nc3s/c(=C/c4cn(C)c5ccccc45)c(=O)n3c2cc1C 4499123 GQHURWIIXKWPDE-VXLYETTFSA-N 359.454 3.565 0 40 FHAB C/C=C/C=C/C(=O)OCC(=O)Nc1cc(C)c(Br)cc1C 8433674 TWOZOTSTDGADNL-YTXTXJHMSA-N 352.228 3.680 0 40 FHAB O=C(O)/C=C/c1cccc(NC(=S)NC(=O)c2cc3ccccc3o2)c1 226323054 XHZFLDBPBQUNJR-CMDGGOBGSA-N 366.398 3.657 0 40 FHAB Fc1ccc2nc(N3CC(Cn4cc(Br)cn4)C3)sc2c1 1889186687 PSYVOZYSRCIELX-UHFFFAOYSA-N 367.247 3.531 0 40 FHAB CN1CCC(N2C(=O)NCCCc3ccccc3[C@@H]2c2ccccc2)CC1 2037978181 FYWRGJRFQAVGDY-QFIPXVFZSA-N 363.505 3.828 0 40 FHAB Cc1cc(NC(=O)CSc2ccc(-c3ccc(C)c(C)c3)nn2)no1 5410898 LSVJDRPBZTZYGC-UHFFFAOYSA-N 354.435 3.788 0 40 FHAB CN1CCCc2cc(CCNC(=O)C34CC5CC(CC(C5)C3)C4)ccc21 13006651 XIHWDSDQUFZXQL-UHFFFAOYSA-N 352.522 3.944 0 40 FHAB Cc1ccc(CN2CC[C@@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@H]32)o1 2086884448 VDTZZKPXGPVUGV-CZUORRHYSA-N 351.372 3.713 0 40 FHAB O=C(NC[C@H](O)c1csc2ccccc12)c1ccc2ncsc2c1 225692932 MQVNCAPCQITJAT-HNNXBMFYSA-N 354.456 3.974 0 40 FHAB CCCOc1ccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1OC 2302720 QBJAUPMMZKFLBC-WJDWOHSUSA-N 355.365 3.968 0 40 FHAB CN1CCc2nc3sc4c(O)cc(=O)[nH]c4c3c(-c3cccs3)c2C1 5489681 PRMOEMKPSHONTQ-UHFFFAOYSA-N 369.471 3.560 0 40 FHAB COC(=O)Nc1ccc(-c2ccc(NC(=O)OC)c(OC)c2)cc1OC 1516890 HPVNMSWVIOLANI-UHFFFAOYSA-N 360.366 3.727 0 40 FHAB C[C@@H](NC(=O)Cc1csc(Cc2ccccn2)n1)c1ccc(F)cc1 40129668 UTZPHHCCRCWOMI-CYBMUJFWSA-N 355.438 3.688 0 40 FHAB C[C@H]1CCCN(CCNC(=O)COc2ccc3oc4ccccc4c3c2)C1 40110345 ZCKKCXSLJYWNNT-INIZCTEOSA-N 366.461 3.813 0 40 FHAB COc1ccc([C@H]2CCCN2CC(=O)N2[C@@H](C)CCC[C@H]2C)c(OC)c1 50274313 XOCJUBUCDUOPTE-JTDSTZFVSA-N 360.498 3.630 0 40 FHAB O=C(O)[C@H]1[C@@H]2C=C[C@@H]([C@H]3C[C@H]23)[C@H]1C(=O)Nc1cccc(Cl)c1Cl 102093083 PYCJIFWLYSFSQI-WVRSXFRLSA-N 352.217 3.701 0 40 FHAB O=C(NC[C@H](c1ccccc1)N1CCCC1)C1(c2ccc(F)cc2)CC1 32758992 BJIKJPPJXKVKKV-HXUWFJFHSA-N 352.453 3.811 0 40 FHAB C[C@H](c1ccc(Cl)cc1)N(C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1 32777533 ZAIOPCCMIYPTDD-CQSZACIVSA-N 373.884 3.673 0 40 FHAB CNc1nc(SCCC(=O)N2CCc3ccccc32)nc2ccccc12 32871155 COCIIQINAIDUJM-UHFFFAOYSA-N 364.474 3.743 0 40 FHAB Cc1cccc(N2CCN(C(=O)COc3ccc4c(c3)CCC4)CC2)c1C 2638761 APBBELJERPJKIM-UHFFFAOYSA-N 364.489 3.520 0 40 FHAB COc1cc(NC[C@H](O)CN(CC(C)C)CC(C)C)c2ncccc2c1 1591924 JSXONVWYLGHYDM-SFHVURJKSA-N 359.514 3.630 0 40 FHAB COC(=O)CCCCCCCNC(=O)[C@H](C)Oc1ccccc1Cl 79107076 CYYRCBCLFYXMPW-AWEZNQCLSA-N 355.862 3.737 0 40 FHAB CC(C)(C)c1nnc(C[S@](=O)c2ncc(-c3ccccc3)n2C2CC2)o1 79105062 SHHRWBOBQLAKKB-AREMUKBSSA-N 370.478 3.873 0 40 FHAB Cc1noc(COC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)n1 102717831 ZEGKHBJACMNPDH-CPWXYTRJSA-N 369.259 3.545 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3ccc(C(C)=O)cc3)no2)cc1OC 3908136 AMHXJVSRSCYAAL-UHFFFAOYSA-N 366.373 3.814 0 40 FHAB CCc1cc2cc3c(cc2nc1SCC(=O)Nc1nccs1)OCO3 4849562 PFUHVCPBANGDQF-UHFFFAOYSA-N 373.459 3.713 0 40 FHAB O=C1OC(c2ccc(N3CCCC3=O)cc2)=N/C1=C\c1ccccc1Cl 7925783 LJUSEIQRBKTCRI-ATVHPVEESA-N 366.804 3.811 0 40 FHAB Cc1nnsc1-c1nn2c(-c3cccc(C(F)(F)F)c3)nnc2s1 633114 BURFVHLJIGXODD-UHFFFAOYSA-N 368.369 3.699 0 40 FHAB Cc1cccc2nc(C(=O)Nc3ccc(N(C)C)cc3C(F)(F)F)cn12 41843670 GDHXLIYPHSQCOC-UHFFFAOYSA-N 362.355 3.980 0 40 FHAB O=c1cc(CO)oc([C@H](Nc2cccc(Cl)c2)c2ccccc2)c1O 8579403 DFLHKQWEXZZUEI-QGZVFWFLSA-N 357.793 3.693 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCOCC1 23234458 FCENRBPUNLDAOK-LJQANCHMSA-N 358.869 3.969 0 40 FHAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 983158 LYTHYUXWHKLDIV-UHFFFAOYSA-N 374.245 3.889 0 40 FHAB COc1ccc(N2C(=O)C[C@H](Nc3ccc(Cl)cc3Cl)C2=O)cc1 101276010 XASPJYPWPOSZPZ-HNNXBMFYSA-N 365.216 3.746 0 40 FHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccsc3)n2)cc1 8748107 NUNBVKMHMRFTJP-UHFFFAOYSA-N 357.460 3.760 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cc(-c3cc(C)c(C)cc3O)n[nH]2)c1 12475282 XAFYHEKVCONJIV-UHFFFAOYSA-N 367.405 3.669 0 40 FHAB COc1ccccc1NC(=O)c1cccc(-n2cnc3ccccc3c2=O)c1 9477652 SAHSHXCFBAGUQV-UHFFFAOYSA-N 371.396 3.647 0 40 FHAB Cc1cc(C)cc(OS(=O)(=O)c2ccc(-c3csnn3)s2)c1 3104660 NRQRIHRQDOHKJO-UHFFFAOYSA-N 352.462 3.651 0 40 FHAB C[C@H](NC(=O)CCCNC(=O)c1ccc(Cl)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102963718 HUZDMXGSUNCYNT-MMNPAVHPSA-N 362.901 3.791 0 40 FHAB Cn1ncc2c1CCC[C@H]2NC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 24995451 JDJSKSKRUNXOAQ-GOSISDBHSA-N 351.494 3.943 0 40 FHAB CCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCC1CCCCC1 1467867 PGVGFLSWLRPGFG-LJQANCHMSA-N 372.465 3.837 0 40 FHAB C[C@H](NC(=O)c1ccc(F)cc1Br)c1nc2ccccc2[nH]1 12530254 WRPJFLAXAKWEIY-VIFPVBQESA-N 362.202 3.956 0 40 FHAB COC(=O)c1cccc(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)n1 56909230 ZBWADQBPGBFZBI-UHFFFAOYSA-N 353.378 3.559 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(F)cc1F 3247561 JARRROVAKMJNMI-SNVBAGLBSA-N 369.751 3.567 0 40 FHAB COC(=O)c1ccc(-c2csc(NC(=O)c3ccccc3F)n2)cc1 3262904 HZZHQOGROUNXGM-UHFFFAOYSA-N 356.378 3.988 0 40 FHAB CCC(=O)NC(NNc1cccc(Cl)c1)(C(F)(F)F)C(F)(F)F 2050535 JZSTZSVDNDKYGO-UHFFFAOYSA-N 363.689 3.604 0 40 FHAB CC[C@@H](Sc1nc(-c2ccc(C)cc2)n[nH]1)C(=O)NCc1ccccc1 12622146 QIPFOGKSZQEZJO-QGZVFWFLSA-N 366.490 3.967 0 40 FHAB CN(C)C(=O)[C@@H](c1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 12689548 MEFXITHJOAQDJI-HXUWFJFHSA-N 363.461 3.837 0 40 FHAB Cc1ccnc(NC(=O)C2CCN(c3cccc(C(F)(F)F)n3)CC2)c1 58191527 AOKZBIZVGKYIMS-UHFFFAOYSA-N 364.371 3.659 0 40 FHAB CCN(C[C@H]1CCOC1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 58171698 BQQIKFZKXXJOGX-OAHLLOKOSA-N 370.424 3.577 0 40 FHAB O=C(c1ccc(-n2cccn2)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12627323 QMRRNDNUFYBOHJ-LJQANCHMSA-N 357.417 3.726 0 40 FHAB COc1cccc(C(=O)COc2ccc3c(C)c(C)c(=O)oc3c2C)c1 2146672 UXJCXRDHAVHDDQ-UHFFFAOYSA-N 352.386 3.989 0 40 FHAB biogenic COc1ccc(CNC2(Cc3cc(-c4ccc(F)cc4)on3)COC2)cc1 67897856 SVQWLZTYVWASOY-UHFFFAOYSA-N 368.408 3.591 0 40 FHAB biogenic,in-vitro O=C(c1ccncc1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 48235125 KTMHYGABOCAYCQ-UHFFFAOYSA-N 354.797 3.590 0 40 FHAB CCC[C@H](NC(=O)[C@@H]1CC=CCC1)C(=O)Nc1cccc(N2CCCC2)c1 58323121 JHPIMXCFUCMXLY-XLIONFOSSA-N 369.509 3.867 0 40 FHAB COc1ccc(-c2nc(CCNC(=O)COc3ccccc3)cs2)cc1 27994167 NELAQCLHYLJQJB-UHFFFAOYSA-N 368.458 3.556 0 40 FHAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(NC(=O)C3CC3)s2)cc1 10611073 HJGWTCAXHNYVTR-GFCCVEGCSA-N 358.463 3.986 0 40 FHAB COc1ccc(CNC(=O)c2c(-c3ccccc3)noc2C)cc1OC 2380931 UBOZEOUIFZPQME-UHFFFAOYSA-N 352.390 3.597 0 40 FHAB CC(C)C[C@@H](NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)c1ccccc1 2360761 PDYMKULBIKQYGY-DNVCBOLYSA-N 364.445 3.575 0 40 FHAB Cc1ccccc1CN1CCC(NC(=O)NCc2cccc(F)c2)CC1 45593791 ZLGJFKNPVXQDKP-UHFFFAOYSA-N 355.457 3.598 0 40 FHAB CCSc1nc(NC[C@H](C)O)c2c3c(sc2n1)CO[C@](C)(CC)C3 2423648 DPRIGHLKISTUNH-DYZYQPBXSA-N 367.540 3.837 0 40 FHAB CC(C)n1ncc2c(C(=O)N3CCO[C@@H](C)C3)cc(-c3ccccc3)nc21 11496363 BLKPNCMVXBQDME-HNNXBMFYSA-N 364.449 3.540 0 40 FHAB CSc1ccc(C)c(C(=O)NCc2ccnc(-n3ccnc3C)c2)c1 48354482 QQLUZIHWNKZFFM-UHFFFAOYSA-N 352.463 3.536 0 40 FHAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCc2ccccc21 12949953 JBHYKWGFAGIFOM-PMACEKPBSA-N 366.461 3.741 0 40 FHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2CCCC[C@H]2C)cs1 12999103 HGQXXZLZNMWDQB-CQSZACIVSA-N 355.507 3.882 0 40 FHAB Cc1nc2ccccc2nc1SCc1cc(=O)n2c(C)csc2n1 12906327 HYRXBTISZFVNBB-UHFFFAOYSA-N 354.460 3.608 0 40 FHAB C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc(-n2cncn2)cc1 12926100 AUVVYERVTUVZHY-OAHLLOKOSA-N 359.433 3.559 0 40 FHAB Cc1ccc(NC(=O)CCn2c(S)nnc2-c2ccc(F)cc2)cc1 12915667 UXDHBTXGQMIRMC-UHFFFAOYSA-N 356.426 3.710 0 40 FHAB CSc1ccc(CN(C)C(=O)c2cncc(Br)c2)cc1 8848825 KZHGEMVXIFLBDS-UHFFFAOYSA-N 351.269 3.838 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccc(OCc2nccn2C)cc1)c1ccncc1 70995458 QHUHVQUQBRPBEP-HXUWFJFHSA-N 364.449 3.521 0 40 FHAB O=C(Nc1ccc(NCc2ccccc2)c(Cl)c1)c1cccc[n+]1[O-] 63530079 IWFWZGCETSYNHI-UHFFFAOYSA-N 353.809 3.838 0 40 FHAB COc1ccc(OCCNC(=O)Cc2csc(-c3ccsc3)n2)cc1 39995648 USACXZFLSIZSGI-UHFFFAOYSA-N 374.487 3.618 0 40 FHAB Cc1cc(C)n2c(SCC(=O)c3cc(C)c(C)c(C)c3C)nnc2n1 6326013 YUNZGOCMIKUOGJ-UHFFFAOYSA-N 354.479 3.950 0 40 FHAB C[C@@H]1CCc2c(sc(NC(=O)Cc3ccccc3Cl)c2C(N)=O)C1 14068317 CFIOEAGLJQJGEG-SNVBAGLBSA-N 362.882 3.806 0 40 FHAB CCN(CC)C(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 4547514 RLCRMXDKSOZMEK-UHFFFAOYSA-N 354.450 3.529 0 40 FHAB Cc1cc(O)ccc1NC(=O)c1ccccc1I 4666658 KXUYVMJFGKEUDH-UHFFFAOYSA-N 353.159 3.558 0 40 FHAB NC(=O)c1c(NC(=O)CCCc2c[nH]c3ccccc23)sc2c1CCC2 6601697 MOOTZPXDGRGLCZ-UHFFFAOYSA-N 367.474 3.778 0 40 FHAB O=C(Nc1nc(-c2ccncc2)cs1)c1cncc(Br)c1 6969531 LIGAJMFMCUBAEV-UHFFFAOYSA-N 361.224 3.615 0 40 FHAB COc1ccccc1[C@H](NC(=O)Nc1cccc(Cl)c1)c1nccn1C 9338085 IOTKZNDSHJOGDF-KRWDZBQOSA-N 370.840 3.993 0 40 FHAB CCc1ccc(/C=C(\Cl)c2nc3cc(C(=O)O)ccc3c(=O)[nH]2)cc1 7502948 MIBIQFWDBJFGNW-DHDCSXOGSA-N 354.793 3.921 0 40 FHAB O=C(c1ccccc1)c1ccc(OC[C@@H](O)CNc2ccc(F)cc2)cc1 7636118 KPROWMDTYKWLJO-FQEVSTJZSA-N 365.404 3.909 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc3ccccc3[nH]2)c1C 7815538 IEQAFTWBTMHUAP-ZDUSSCGKSA-N 352.390 3.744 0 40 FHAB Cc1cc(C)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1C 19943438 ZTYMWVGMJISTCK-UHFFFAOYSA-N 372.534 3.740 0 40 FHAB CCCc1cc(NC(=O)N2Cc3ccccc3N(C)C[C@H]2CC)n(C)n1 91035759 FFFZMKKRWIVOKU-QGZVFWFLSA-N 355.486 3.635 0 40 FHAB Fc1ccc(CNC2=NN=C(c3ccc4c(c3)OCCCO4)CS2)cc1 9417583 HQQIWGSHFTYIOD-UHFFFAOYSA-N 371.437 3.584 0 40 FHAB COc1ccc(-c2nnc([C@H](C)OC(=O)c3cccc(C)c3O)o2)cc1 8213379 MZRKZCPKTRDPCT-LBPRGKRZSA-N 354.362 3.677 0 40 FHAB Cc1ccc(NC(=O)CCC(=O)Nc2nnc(C(C)C)s2)cc1Cl 16955686 PKSTXPVIDWUFLC-UHFFFAOYSA-N 366.874 3.981 0 40 FHAB CS(=O)(=O)Cc1cccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c1 69456659 GGUCPUOAMXHCPU-UHFFFAOYSA-N 372.368 3.894 0 40 FHAB C[C@@H](N[C@@H]1CC(=O)N(c2ccccc2)C1=O)C12CC3CC(CC(C3)C1)C2 19889563 SLMWKNYKHBTVTM-UUJYFKEHSA-N 352.478 3.513 0 40 FHAB Cn1cc(-c2ccnc(/C=C/c3ccc(F)cc3Br)n2)cn1 93902998 DWESOVONLJKMLZ-HWKANZROSA-N 359.202 3.949 0 40 FHAB CCCc1ccc(-c2nc(NC(=O)c3ccc[n+]([O-])c3)sc2C)cc1 9653202 KJHWADCXWPQEPZ-UHFFFAOYSA-N 353.447 3.957 0 40 FHAB Cc1nn(C)cc1CCC(=O)N(c1ccccc1)C1Cc2ccccc2C1 72307563 GVZUDDDJCUKAIT-UHFFFAOYSA-N 359.473 3.862 0 40 FHAB CCOCc1cccc(NC(=O)c2ccccc2S(=O)(=O)C(C)C)c1 72080880 HCMNJUWUBNHMGQ-UHFFFAOYSA-N 361.463 3.658 0 40 FHAB Fc1ccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3nnnn32)cc1 72332417 ZPNAZZJEQDYLJF-HUUCEWRRSA-N 374.217 3.721 0 40 FHAB O=C(Cc1cn2ccsc2n1)Nc1cccc(C(=O)c2ccccc2)c1 84519322 ATWYYXJWHUGEML-UHFFFAOYSA-N 361.426 3.808 0 40 FHAB O=C(CCc1ccc(Cl)nc1)N1CCC(Nc2ccccc2F)CC1 95452499 KNZWPPVGLXRMCP-UHFFFAOYSA-N 361.848 3.910 0 40 FHAB Cc1ncccc1NC(=O)c1ccc(-n2cc(Br)cn2)cc1 73348216 JQFGHLMVHMSQST-UHFFFAOYSA-N 357.211 3.591 0 40 FHAB O=C(CN1CCSC2(CCCCC2)C1)Nc1ccnn1C1CCCC1 75106019 QVTPEJVMTBGKRB-UHFFFAOYSA-N 362.543 3.688 0 40 FHAB C[C@H]1CCCN(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)[C@H]1CO 89868992 GYCCSDVKGLPIBJ-GUYCJALGSA-N 351.878 3.565 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cc(C(=O)OC)ccc1C 20454364 KNLZOALURIJKJD-GOSISDBHSA-N 357.406 3.586 0 40 FHAB Cc1ccc(NC(=O)c2ccc3nc(N4C(=O)CCC4=O)sc3c2)cc1 408976595 RUMCYEYXALOVKZ-UHFFFAOYSA-N 365.414 3.510 0 40 FHAB O=C(Sc1nnc(-c2ccncc2)o1)c1ccc(Br)cc1 408599172 PPBQRAJCEHGVSG-UHFFFAOYSA-N 362.208 3.827 0 40 FHAB O=C(C(=S)Nc1ccc(I)cc1)c1ccccc1 3846924 ZROCNTYMLUYYNH-UHFFFAOYSA-N 367.211 3.913 0 40 FHAB biogenic Cc1ccc(NC(=O)[C@H]2[C@H](C)Nc3ncnn3[C@@H]2c2ccccc2)c(C)c1 36701514 JMRCVXZLNOMVQX-ZYSHUDEJSA-N 361.449 3.553 0 40 FHAB O=C(CCn1ccc2ccc(F)cc21)Nc1ccc2c(c1)OCCCO2 36365670 TYHVQOUGNAXSNF-UHFFFAOYSA-N 354.381 3.971 0 40 FHAB O=C(C1CCCC1)N1CCC[C@H](c2nccnc2Oc2cccnc2)C1 72383963 PPHYNCLYWKPRLY-INIZCTEOSA-N 352.438 3.560 0 40 FHAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H]1CCc2ccccc21 32843548 WDICBOUMHQNVCT-MOPGFXCFSA-N 351.450 3.636 0 40 FHAB COc1ccc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)c(OC)c1 32900960 JCYNCHCGNMPAEZ-UHFFFAOYSA-N 368.437 3.670 0 40 FHAB O=S(=O)(c1cc(Cl)sc1Cl)N1CCC[C@H]1c1ccncc1 38638113 CENUNWJRHAHOCT-JTQLQIEISA-N 363.291 3.976 0 40 FHAB CCOc1cc(CNC(=O)COc2cccc3c2CCCC3)ccc1OC 222832841 VSMLZVFNVGYZMK-UHFFFAOYSA-N 369.461 3.668 0 40 FHAB CCOCc1cc(C(=O)Nc2ccc(OC)c(OC)c2)ccc1OCC 224696978 ZQJNCPKGFYHNJB-UHFFFAOYSA-N 359.422 3.891 0 40 FHAB Cc1ccccc1CN(C(=O)Cc1ccccc1)[C@H](C)C(=O)NCC(C)C 224112074 GHXKYBNNFVNDAV-LJQANCHMSA-N 366.505 3.727 0 40 FHAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccccc2C)c1 225703560 SKOCLGBIFCTPMG-STZFKDTASA-N 374.440 3.984 0 40 FHAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC)c(C(=O)OC)c1 225840270 LYWPBRAUXNWLCW-LJQANCHMSA-N 351.443 3.652 0 40 FHAB O=C(Nc1cccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c1)[C@@H]1CCCO1 40051381 ITAMIXQWAPNZQD-MNEFBYGVSA-N 356.466 3.599 0 40 FHAB COc1cc(NC(=O)NCCOc2ccc(F)cc2)c(OC)cc1Cl 43449287 JGBXYNBPXUQKEU-UHFFFAOYSA-N 368.792 3.697 0 40 FHAB Cc1cc(C(=O)NCCC(C)C)ccc1N(C)S(=O)(=O)c1ccccc1 224195386 REMAUISMXKDXNJ-UHFFFAOYSA-N 374.506 3.596 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Br)c(C)c2)cc1 224688555 IOFIQYDDPZCTQL-UHFFFAOYSA-N 354.269 3.891 0 40 FHAB COc1cccc(CCCNC(=S)Nc2ccc(OC)cc2OC)c1 225552863 MLIROUDLNBMITJ-UHFFFAOYSA-N 360.479 3.632 0 40 FHAB CSc1ccc(NC(=O)[C@@H](C(C)C)n2nnc(-c3ccccc3)n2)cc1 48369053 LNZGVFIXMNACAH-QGZVFWFLSA-N 367.478 3.898 0 40 FHAB Cc1ccc(NC(=S)NCc2ccc(CN3CCCC3=O)cc2)cc1C 225648023 ZJLMUGLMGPLTEV-UHFFFAOYSA-N 367.518 3.912 0 40 FHAB COc1ccccc1COc1cc(NC(=O)Nc2cccs2)ncn1 77199858 NPHUDXAOBLGZKY-UHFFFAOYSA-N 356.407 3.770 0 40 FHAB CSc1cc(Cl)c(C(F)(F)F)cc1NC(=O)[C@@H](C)n1cncn1 585114339 AVKSCMADHXNYAO-SSDOTTSWSA-N 364.780 3.872 0 40 FHAB Cc1[nH]c2ccc(C(=O)NS(=O)(=O)c3ccc(F)cc3)cc2c1C(C)C 257234785 GVCJZQCYXWXLFG-UHFFFAOYSA-N 374.437 3.858 0 40 FHAB Cc1nccc(N2CCO[C@@H](c3ncc(Cc4ccccc4Cl)o3)C2)n1 257229355 FXTSNAKSBCUARY-QGZVFWFLSA-N 370.840 3.595 0 40 FHAB O=C(O)[C@H](CNCc1ccc2c(c1)CCC2)Cc1cc(F)c(F)c(F)c1 1328713767 MMKXDPXWRHUNIY-INIZCTEOSA-N 363.379 3.626 0 40 FHAB C[C@@H](CF)NC(=O)N1CCC(C)(c2ccc(Br)cc2)CC1 644964639 KSWKKKGCIVWROR-LBPRGKRZSA-N 357.267 3.870 0 40 FHAB CC1CC(C(=O)Nc2ccc(F)c(C(N)=O)c2)(c2cccc(Cl)c2)C1 648138500 XEVJCMBECLBPRI-UHFFFAOYSA-N 360.816 3.884 0 40 FHAB CC(C)CCc1cc(NC(=O)c2ccc3c(c2)nc(O)n3CC2CC2)n[nH]1 1163406743 YHFRWRZZSJMUDX-UHFFFAOYSA-N 367.453 3.716 0 40 FHAB O=C(NCc1ccccc1N1CCCCC1)N[C@H]1CCc2c(O)cccc21 679378499 KAFVQEKEHYFNRD-IBGZPJMESA-N 365.477 3.869 0 40 FHAB Cc1cc(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)no1 1615121418 FOFSCBZSEGTXCY-FQEVSTJZSA-N 357.429 3.786 0 40 FHAB CCCCCOc1cc(S(=O)(=O)NCCC)ccc1Br 11614146 PETUPZCRWWTXQW-UHFFFAOYSA-N 364.305 3.706 0 40 FHAB Cc1nc(C)c(CC(=O)N[C@H](Cc2ccsc2)c2cccnc2)s1 12228728 RVQWGPWMONXKOR-MRXNPFEDSA-N 357.504 3.859 0 40 FHAB C[C@@H]1CCCN(C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)C2CCCC2)C1 12291628 DWGDIURVIOMZOG-VGOFRKELSA-N 370.537 3.921 0 40 FHAB Cc1ccc(CN(CCNC(=O)c2cccs2)Cc2ccccn2)s1 13991090 DKPLPPLHZALIGN-UHFFFAOYSA-N 371.531 3.945 0 40 FHAB Cc1cccc(N2C[C@@H](C(=O)NCc3cccc(Cl)c3)CC2=O)c1C 14262179 GWFHGLBNNCDSNS-INIZCTEOSA-N 356.853 3.626 0 40 FHAB CC(=O)Nc1ccc2c(COC(=O)C[C@@H]3C[C@H]4CC[C@@H]3C4)cc(=O)oc2c1 15186973 XLYVLUBSJMDEFQ-ZNMIVQPWSA-N 369.417 3.621 0 40 FHAB CCOc1cc(/C=C/C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OC 15268373 MMDPGOADPIFNNG-WUXMJOGZSA-N 354.406 3.704 0 40 FHAB Cc1cc(-c2c[nH]nc2[C@H]2CCCCN2C(=O)Cc2cccc(F)c2)on1 19120864 VAKVKZOAMSKJDE-QGZVFWFLSA-N 368.412 3.809 0 40 FHAB O[C@@H]1CCN(Cc2c([C@@H]3CCCO3)[nH]c3ncccc23)[C@@H]2CCCC[C@@H]12 19345155 UHNBMDICIJZVPS-OWYHZJEWSA-N 355.482 3.540 0 40 FHAB COc1ccc2[nH]c(C(=O)N3CC[C@](O)(c4ccc(C)cc4)C3)c(C)c2c1 19714919 DRFWONXJYJXAOC-JOCHJYFZSA-N 364.445 3.527 0 40 FHAB CCC(=O)N1CCC[C@H]1c1cc(C(F)(F)F)c2c(NC(C)C)n[nH]c2n1 19742545 HRIVEMCMNMRSCQ-LBPRGKRZSA-N 369.391 3.871 0 40 FHAB O=C(N[C@@H]1CN2CCC1CC2)c1cc(Cl)cc2c1O[C@@H]1CCCC[C@@H]21 3799374 LDYMIBZOCSHLBG-BMGDILEWSA-N 360.885 3.583 0 40 FHAB O=C(O)c1cccnc1CN1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 652437038 WKDZYQWDMWHEMI-LBPRGKRZSA-N 367.232 3.740 0 40 FHAB Cc1cccc(CSCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 6248697 KBDYRNLTKSKRAM-UHFFFAOYSA-N 356.491 3.704 0 40 FHAB CCN1C(=O)N(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc21 1889092471 PBIQGRUPEPABAW-UHFFFAOYSA-N 350.827 3.804 0 40 FHAB COc1ccccc1[C@H]1[C@@H](C(=O)N(C)C)CCC(=O)N1c1ccc(C)cc1 28619447 QVNZTUWCQSKQDI-RXVVDRJESA-N 366.461 3.576 0 40 FHAB CCOc1ccc(CC(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 5440684 KUJGPYAITFKYQG-UHFFFAOYSA-N 352.434 3.702 0 40 FHAB Cc1c(C)c2c(c(C)c1NC(=O)c1cc3ccccc3o1)NC(=O)CO2 12372281 GPVXLMWFGLLITL-UHFFFAOYSA-N 350.374 3.941 0 40 FHAB CCOc1ccc2ccccc2c1[C@@H]1NC(=S)N(C)C(C)=C1C(=O)OC 13522793 TXJWWULSRLEBQY-GOSISDBHSA-N 370.474 3.547 0 40 FHAB COc1cccc(C(=O)N2CCC[C@@H](COc3ncccc3Cl)C2)c1 1890119227 HMFJJLYUEYIBEH-CQSZACIVSA-N 360.841 3.675 0 40 FHAB COc1ccccc1-n1ncc2c(C)nnc(SCc3ccccn3)c21 35596840 ZNSXTJXAGXTLLH-UHFFFAOYSA-N 363.446 3.820 0 40 FHAB CC(C)(Br)C(=O)Nc1nnc(SCc2ccccc2)s1 19926888 FNTKZHVXTDOQGV-UHFFFAOYSA-N 372.313 3.942 0 40 FHAB O=[PH](c1ccc(Br)cc1)c1ccc(Br)cc1 144422920 YCDSWKRPWOGGLZ-UHFFFAOYSA-N 359.985 3.722 0 40 FHAB O=C(/C=C/c1cccs1)N1CCN(Cc2c(F)cccc2Cl)CC1 32676213 OJRNWQLVPGLPAL-VOTSOKGWSA-N 364.873 3.898 0 40 FHAB Oc1nc(N2CCCC2)nc2ncn(-c3ccc(Cl)cc3)c(=S)c12 40385821 GFMOGTIYSWEVNE-UHFFFAOYSA-N 359.842 3.504 0 40 FHAB COC(=O)c1cc(CSCCC(=O)Nc2ccc(F)c(F)c2)oc1C 40067135 ZEPQUFBELVRDGW-UHFFFAOYSA-N 369.389 3.915 0 40 FHAB CN(C)CCN(CCc1ccccc1)C(=O)c1nc(Cl)ccc1Cl 40145414 MOUKXGQFAGCGHM-UHFFFAOYSA-N 366.292 3.635 0 40 FHAB CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(Cl)cc1F 31552030 ZBMGCXKETAZLOL-UHFFFAOYSA-N 366.845 3.912 0 40 FHAB C[C@H]1CCCC[C@@H]1N/C=C1/C(=O)N(c2ccccn2)C(=O)c2ccccc21 20815791 IUTCKRSRINVQCS-TWTQKJHHSA-N 361.445 3.778 0 40 FHAB C[C@H](NC(=O)NC1CCN(C)CC1)c1ccccc1Oc1ccccc1 102040002 IATVQTPGHFHGQB-INIZCTEOSA-N 353.466 3.933 0 40 FHAB CC(=O)Nc1cccc(Nc2nnc(SCc3cc(C)on3)s2)c1 32779003 CPGHOWRFRMGKJF-UHFFFAOYSA-N 361.452 3.829 0 40 FHAB CSc1nnc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)s1 11916897 JPBMIDJIJXVWMA-UHFFFAOYSA-N 350.400 3.615 0 40 FHAB Cc1ccc(OCC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 2649176 ZABMLTQLKWOWSF-UHFFFAOYSA-N 366.442 3.840 0 40 FHAB O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2)N1CCCCC1 918376 LPNAOWIROGBLJB-FZMZJTMJSA-N 368.359 3.763 0 40 FHAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1C1CC1 1364682 BJOGOECLOYPMQI-UHFFFAOYSA-N 366.874 3.568 0 40 FHAB CC(C)C[C@@H](CN(C)C)NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 78499834 ILBIJGHFEOWQAH-INIZCTEOSA-N 363.889 3.630 0 40 FHAB CCc1nncn1CCNc1ncnc2scc(-c3ccc(C)cc3)c12 78560209 LUEDVSBIDLGGOM-UHFFFAOYSA-N 364.478 3.933 0 40 FHAB Cc1occc1-c1nnc(S[C@H](C)c2nc(-c3cccnc3)no2)o1 32901501 IRYHORIXLTXMIR-SNVBAGLBSA-N 355.379 3.936 0 40 FHAB CSCC[C@@H](NC(=O)c1ccccc1)c1nc(-c2ccccc2)no1 4383488 PRBBLRISDHNKMB-MRXNPFEDSA-N 353.447 3.961 0 40 FHAB CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1 6239248 BJYOQWQXGODLAY-UHFFFAOYSA-N 355.463 3.895 0 40 FHAB CCCOc1ccc([C@@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)cc1OC 6678830 HNVDZWPEPXJLSX-ZBEGNZNMSA-N 361.467 3.679 0 40 FHAB C[C@H](Sc1nnc(NC2CCCCC2)s1)C(=O)NCc1ccco1 8749544 BKPYYBVPNBGWCT-NSHDSACASA-N 366.512 3.673 0 40 FHAB Cc1cc(C)cc(OCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 7724547 TVNILLRSVQOIDV-UHFFFAOYSA-N 372.896 3.993 0 40 FHAB CCN(CC)C(=O)c1cccc(NC(=O)CC2(C(=O)O)CCCCC2)c1 8778227 MMYVVVRYAQZIFI-UHFFFAOYSA-N 360.454 3.532 0 40 FHAB CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccco1 8090175 FQUIMSWFDCYADL-CYBMUJFWSA-N 356.451 3.528 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)c1nc(Cc2c[nH]c3ccccc23)no1 12389409 YZYRBICXQCHCHJ-HNNXBMFYSA-N 374.444 3.893 0 40 FHAB COCCNCc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 8469080 JLMDLEWNIGHJSN-UHFFFAOYSA-N 353.821 3.803 0 40 FHAB CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3c(F)cccc3F)cc21 8959333 ZIJNWBCHZQONNT-UHFFFAOYSA-N 360.360 3.599 0 40 FHAB Cc1ccc([C@@](O)(CCNc2cnc3ccccc3n2)C(F)(F)F)o1 42619959 NIMBAYLGXVSZAC-INIZCTEOSA-N 351.328 3.783 0 40 FHAB COc1ccc(OC)c(/C=C/C(=O)N(C)Cc2ccc(OC)c(F)c2)c1 24581053 KDUOOMYOLZMMPG-UXBLZVDNSA-N 359.397 3.523 0 40 FHAB O=C(NCc1ccccc1)C1CCN(C(=O)c2ccccc2Cl)CC1 9979757 MXTSRYSAHPAJHG-UHFFFAOYSA-N 356.853 3.509 0 40 FHAB Cc1cc(C)cc(NC(=O)CSc2nnc(COc3ccccc3)o2)c1 59200414 DAOCTRYHJZUHAE-UHFFFAOYSA-N 369.446 3.996 0 40 FHAB CC[C@H](OC(=O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(C)on1 9314699 PSTCXMKJVLDFDM-LBPRGKRZSA-N 356.300 3.576 0 40 FHAB C[C@H]1CCCN(CC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)C1 107326264 UVCFBZNFCJHWOD-PXNSSMCTSA-N 350.462 3.885 0 40 FHAB CC[C@@H](Sc1nnc(NCC(C)C)s1)C(=O)NCc1ccccc1 25817311 BPMJMECCLHVHKA-CQSZACIVSA-N 364.540 3.793 0 40 FHAB CCN(CC)Cc1ccccc1CNC(=O)N[C@@H](C)Cc1ccc(O)cc1 56769059 LOOCGFRNDNSXMJ-KRWDZBQOSA-N 369.509 3.664 0 40 FHAB CCOC(=O)/C=C1/C[C@H]2c3cc(OC)c(OC)cc3CCN2C[C@@H]1CC 104185053 XVPICYCPIBJEBT-PPBDENSKSA-N 359.466 3.522 0 40 FHAB CCCCC1CCC(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)CC1 3281309 LWEIJUGEFVQAGM-UHFFFAOYSA-N 373.449 3.740 0 40 FHAB C[C@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1cccc(Cl)c1 58160464 QHASEGQNLLEDTF-ZDUSSCGKSA-N 371.868 3.522 0 40 FHAB CC[C@H](C)c1ccc(S(=O)(=O)NCCCc2nc(C(C)C)no2)cc1 58159572 SGZSMHPGZHXBQP-AWEZNQCLSA-N 365.499 3.618 0 40 FHAB Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 44884628 ZSUOZLYUHAWXSF-OAHLLOKOSA-N 371.868 3.843 0 40 FHAB COc1ccc(CN(C(=O)CSc2ncc3ccccn23)C2CC2)cc1 27667300 CWMDNVKMUVEQMQ-UHFFFAOYSA-N 367.474 3.626 0 40 FHAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccc(F)cc1Cl)CC(O)=N2 20746053 BQLBXCLYPVPZQK-GFCCVEGCSA-N 357.776 3.887 0 40 FHAB COc1cccc(C(=O)COc2cc(C)cc3oc(=O)c(C)c(C)c23)c1 2146314 FLVNZORVMXIVCY-UHFFFAOYSA-N 352.386 3.989 0 40 FHAB biogenic Cc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1S(=O)(=O)Nc1ccccc1 10112546 DPTPIIXHHSVLGR-OAHLLOKOSA-N 372.490 3.668 0 40 FHAB C[C@@H](c1cccnc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 58316675 AGAHKHVQLXEMRD-AWEZNQCLSA-N 350.388 3.769 0 40 FHAB CC[C@@H](C)NC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 2249059 LOVVWWCNAOZRKJ-CQSZACIVSA-N 373.460 3.743 0 40 FHAB O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1ccsc1 10660365 QOTDSCZTJQQADL-UHFFFAOYSA-N 371.487 3.961 0 40 FHAB Cc1ccn2cc(C(=O)NCCCCOc3ccc(Cl)cc3)nc2c1 11084946 PDDKKMHCJBFFEX-UHFFFAOYSA-N 357.841 3.885 0 40 FHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1N1CCCC1 12730732 YIMUIIXGMYYCJD-INIZCTEOSA-N 367.449 3.540 0 40 FHAB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCC(C(=O)Nc2ccccc2)CC1 12797135 LNFJBPSSIMBBEO-HNNXBMFYSA-N 369.440 3.503 0 40 FHAB CN(Cc1csc2ccccc12)C(=O)Nc1ccccc1S(C)(=O)=O 45986753 BXSZVQKJICDRDT-UHFFFAOYSA-N 374.487 3.969 0 40 FHAB Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c1 3442863 DQBYRAKKQZCDSV-JTQLQIEISA-N 353.205 3.881 0 40 FHAB COC(=O)CCCNC(=O)c1ccccc1OCc1ccc(Cl)cc1 3534410 LMYAJOHLYODVCR-UHFFFAOYSA-N 361.825 3.602 0 40 FHAB O=C(Nc1ccnn1Cc1ccccc1Br)[C@H]1CC=CCC1 12947135 FNIPHCFMDNOQPQ-ZDUSSCGKSA-N 360.255 3.989 0 40 FHAB COc1ccc(-c2csc(NC(=O)c3cccc4c3OCCO4)n2)cc1 69616198 OKWXDVQEBGZCEV-UHFFFAOYSA-N 368.414 3.842 0 40 FHAB O=C(CNc1ncnc2ccsc12)Nc1ccccc1Br 8750957 JAVYIMLBXRDTHO-UHFFFAOYSA-N 363.240 3.504 0 40 FHAB Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)n1-c1cccc(F)c1 4072893 OQOSFNQSTNRIAO-UHFFFAOYSA-N 372.709 3.538 0 40 FHAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 22192978 ZUBJRNAFJGTWOO-CYBMUJFWSA-N 372.852 3.947 0 40 FHAB COc1ccccc1-c1nnc(SCc2ccc(Cl)s2)n1N 39565327 DWPRJDMKLSJJRF-UHFFFAOYSA-N 352.872 3.675 0 40 FHAB O=C(COC(=O)c1cc2ccccc2o1)Nc1ccccc1Br 4332614 CYSQPTFOUIQFPL-UHFFFAOYSA-N 374.190 3.991 0 40 FHAB C[C@H]1CCCC[C@]12NC(=O)N(Cc1csc(-c3ccccc3)n1)C2=O 4308746 XMHGNKNXBLTVSA-DJJJIMSYSA-N 355.463 3.811 0 40 FHAB CCOc1cc(CNCCN(C)C)ccc1OCc1ccccc1Cl 22075381 WHTASGUARWQGEB-UHFFFAOYSA-N 362.901 3.969 0 40 FHAB COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2 5322580 DBQUVHWWSCVZCX-UHFFFAOYSA-N 355.390 3.782 0 40 FHAB CCN(CC)CCCNc1ncnc2c1c(C)c(C)n2-c1ccccn1 5346415 FKXMUONUSHOOKF-UHFFFAOYSA-N 352.486 3.576 0 40 FHAB O=C(C=C1CCCCC1)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 65782777 KQMXVRMGBVBCDB-LJQANCHMSA-N 362.901 3.720 0 40 FHAB O=C(NCCCN1CCCCCC1)c1ccc(NC(=O)c2ccco2)cc1 14236065 QRYTXCKBXYTGMZ-UHFFFAOYSA-N 369.465 3.528 0 40 FHAB COCCn1c(C)cc(C(=O)CSc2nc3ccc(C)cc3[nH]2)c1C 6506620 PUUGVFSJRQEDAG-UHFFFAOYSA-N 357.479 3.911 0 40 FHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 20460263 KOXNZHOWHBGVCW-GPMSIDNRSA-N 366.933 3.982 0 40 FHAB c1csc(Cn2cccc2CN2CCC(OCCN3CCCC3)CC2)c1 93734922 ZXSWQZFWYFBWST-UHFFFAOYSA-N 373.566 3.675 0 40 FHAB C[C@H]1C[C@@H](c2ccccc2)n2ncnc2N1C(=O)c1ccc(Cl)cc1 4732639 QBXNJYRBMRKTSH-GUYCJALGSA-N 352.825 3.960 0 40 FHAB Cc1ccc(Sc2ccc3c4c(=O)n(C)nc(Cl)c4cn3n2)cc1 4771796 CEYLQKQEBZYLIP-UHFFFAOYSA-N 356.838 3.694 0 40 FHAB Cc1ccc(C=C(C(=O)NCc2ccccc2)C(=O)NCc2ccccc2)o1 5699267 OQEWDVONYGHSRU-UHFFFAOYSA-N 374.440 3.604 0 40 FHAB CCc1ccc2oc(C(=O)Nc3nc(CC(=O)OC)cs3)c(C)c2c1 62714994 GYVHCLJQPYSGIM-UHFFFAOYSA-N 358.419 3.728 0 40 FHAB O=C(NC1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1cccc(F)c1 27698616 DPRAJVOKLFDMEB-SEJPIABJSA-N 352.453 3.794 0 40 FHAB Cc1ccc([C@H](C)NC(=O)[C@H](C)n2c(S)nnc2-c2cccs2)o1 69351010 HYXBCOLXWHVAKF-QWRGUYRKSA-N 362.480 3.635 0 40 FHAB CCOc1ccc(Br)cc1NC(=O)c1ccc(NC=O)cc1 73339652 YJUOURGCVVBCMJ-UHFFFAOYSA-N 363.211 3.668 0 40 FHAB CC[C@H](CO)NC(=O)c1ccccc1Oc1cccc(Br)c1 95987097 ONOXXWRWZXYFLF-CYBMUJFWSA-N 364.239 3.742 0 40 FHAB CN(C)[C@H](CN[C@@H]1CC2(CCCCC2)Oc2ccccc21)c1cnn(C)c1 95973660 LAWVWEDFYSLMIW-WOJBJXKFSA-N 368.525 3.839 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 75147572 SIMLOTGHEOOLAK-GOSISDBHSA-N 362.832 3.800 0 40 FHAB CC(C)CN1CCC(NCc2cccc(OCc3ccccn3)c2)CC1 75760823 QRJLPBLJAZZBKS-UHFFFAOYSA-N 353.510 3.871 0 40 FHAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OC)c(OC)c3)S2)cc1 408781701 DBWZOOBRFVAXTN-JKALPCAWSA-N 370.474 3.866 0 40 FHAB CCOc1ccccc1-c1nc(SCC(=O)Nc2ccccc2C)n[nH]1 408528139 RYWKJBFCZMGZRN-UHFFFAOYSA-N 368.462 3.910 0 40 FHAB CCS(=O)(=O)c1ccc2oc([C@H]3CCN(C4CCCCC4)C3)nc2c1 35446882 ILCMUFWFQJIIOQ-AWEZNQCLSA-N 362.495 3.743 0 40 FHAB biogenic,in-vitro O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)OCO2 32126251 PTOJDHQQPMHGDI-UHFFFAOYSA-N 369.229 3.849 0 40 FHAB O=C(CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccco1 36708331 NGAKUAQSOKDXLL-UHFFFAOYSA-N 353.249 3.587 0 40 FHAB CCCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1cccnc1 35288842 KZCQJFXVBCJPMP-UHFFFAOYSA-N 367.478 3.789 0 40 FHAB O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccc(C(=O)O)cc1 408625076 WEYAQAWRPRPCNC-UHFFFAOYSA-N 372.490 3.804 0 40 FHAB COc1ccc(-c2c(C)c3cc(OC(C)=O)ccc3oc2=O)cc1OC 4340693 GSKNROPWNODRFQ-UHFFFAOYSA-N 354.358 3.711 0 40 FHAB biogenic O=C(NCCCCOc1ccc(Cl)cc1)c1ccc(-n2cncn2)cc1 32836111 QHCZLTMVXPNDFK-UHFFFAOYSA-N 370.840 3.510 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccccc2F)cc1 48340894 FMWRXQTZBPELDH-HNNXBMFYSA-N 364.486 3.707 0 40 FHAB COc1cc(Br)c2oc(-c3ccc(-n4cnnc4)cc3)nc2c1 45920445 MHLNDUGREXNOFL-UHFFFAOYSA-N 371.194 3.847 0 40 FHAB CCN(CC)C(=O)c1ccccc1NC(=O)/C=C/c1ccccc1OC 47219428 TXVDKWVWPRRYAZ-CCEZHUSRSA-N 352.434 3.829 0 40 FHAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccccc2)c1 223300721 RLPFCNSXBAOOPW-ZHZULCJRSA-N 360.413 3.675 0 40 FHAB COC(=O)c1cn(C(=O)[C@@H](C)Oc2cccc(OC)c2)c2ccccc12 222619576 WEQBNOJBEAORQP-CYBMUJFWSA-N 353.374 3.544 0 40 FHAB CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(C)C 223346385 QMDJKRIIHUADOK-HXUWFJFHSA-N 352.478 3.939 0 40 FHAB O=C(C[C@@H]1CC2(CCN(C(=O)C3CCC3)CC2)c2ccccc21)NC1CC1 96079511 OZUSGRMETYASOA-QGZVFWFLSA-N 366.505 3.503 0 40 FHAB CCN1c2cc(C(=O)NC3CCCCC3)ccc2C(=O)N2CCCC[C@@H]21 97086845 KCUJTPCQNDTKQT-LJQANCHMSA-N 355.482 3.541 0 40 FHAB COc1cccc(CN2CCC3(CCN(Cc4ccncc4)CC3)CC2)c1 96047248 KILLWPVSGLONLO-UHFFFAOYSA-N 365.521 3.968 0 40 FHAB CCCN(CC)C(=O)c1cc2c(c3ccccc3n2C)n1C(=O)N(C)C 96146308 WFZVGSCAKYWYBP-UHFFFAOYSA-N 354.454 3.535 0 40 FHAB COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 244534982 ZVHMJBXIJHPLPL-CYBMUJFWSA-N 358.825 3.649 0 40 FHAB Cc1cc([C@@H]2CCCCN2Cc2cnccn2)nc(-c2c(C)noc2C)n1 257250668 JNMJQBZQNLQJDR-SFHVURJKSA-N 364.453 3.574 0 40 FHAB O=C(NCCCc1ccccc1)NCCCn1ccnc1-c1ccccc1 85555158 FLWUDGXZOVFDIW-UHFFFAOYSA-N 362.477 3.872 0 40 FHAB Cc1noc(C)c1-c1ccc([C@H]2CCCN2C(=O)c2cscn2)nc1 257284035 PAZRMSDRFRAVHF-MRXNPFEDSA-N 354.435 3.787 0 40 FHAB CCc1nnc(Nc2cccc([C@H]3CN(CC(C)(C)C)CCO3)n2)s1 257273464 NGRDRRSWRLCLHA-CQSZACIVSA-N 361.515 3.659 0 40 FHAB Cn1ccnc1C(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257200974 AFPRPECLJLYAOM-KRWDZBQOSA-N 368.412 3.505 0 40 FHAB O=C(NC[C@H]1CCCO1)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 260825757 JVHHHDIRSFGLHS-UONOGXRCSA-N 371.308 3.501 0 40 FHAB Cc1cccnc1[C@H](NC(=O)N1CCOC[C@H]1c1ccccc1)C(C)C 363291841 RMPNOXBSYKIQLO-RBUKOAKNSA-N 353.466 3.870 0 40 FHAB O=C(Cc1cncc2ccccc12)N1CCC[C@H]1c1cccc2c1OCCO2 1119041842 LZBKRUMJXFEDCR-FQEVSTJZSA-N 374.440 3.912 0 40 FHAB OCCN(CCc1ccccc1)Cc1ccc(CN2CCCCC2)cc1 1653356357 QNEYCXUKIUNETB-UHFFFAOYSA-N 352.522 3.710 0 40 FHAB Cc1oc2ccccc2c1CCNC(=O)N1CCC(c2ccon2)CC1 661033194 XROQPIJGAMCWGY-UHFFFAOYSA-N 353.422 3.861 0 40 FHAB COc1ccnc(N2CC[C@@H]3[C@@H](CCCN3C(=O)CCCC(C)(C)C)C2)n1 1775998146 TZBKTIBPMYBILE-DLBZAZTESA-N 374.529 3.519 0 40 FHAB CCCC(=O)N1CCCN(C(=O)c2sc3ccc(F)cc3c2C)CC1 53147519 BXROPNBCTZXUEQ-UHFFFAOYSA-N 362.470 3.823 0 40 FHAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 7078049 FSCUNFDRVJXMNB-XNFYSYIQSA-N 353.827 3.718 0 40 FHAB Cc1cccc(CSCC(=O)Nc2ccc(N3CCCC3=O)cc2)c1 11038861 MAODTFIXUQNAJZ-UHFFFAOYSA-N 354.475 3.994 0 40 FHAB Cc1nccc(-c2sc(C3CCN(C(=O)C4CCC4)CC3)nc2C)n1 12667985 KHJVQLDDKWBHRY-UHFFFAOYSA-N 356.495 3.723 0 40 FHAB Cc1ccc2c(c1)C(=O)C[C@H]([C@H]1CCCN(C(=O)c3ccc(C)o3)C1)O2 13227504 FYHZNSKRIIKNMS-MGPUTAFESA-N 353.418 3.783 0 40 FHAB Cc1ccc([C@@H](CNC(=O)COc2cc(C)c(Cl)c(C)c2)N(C)C)o1 15860133 XIQPZMBCMTWVRS-MRXNPFEDSA-N 364.873 3.656 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccc3c(c1)OCO3)CC(=O)N2 17056193 FXFPRPCBOJEGBQ-HNNXBMFYSA-N 365.364 3.523 0 40 FHAB O=C(CCc1c(F)cccc1Cl)NC[C@H]1CCCN1c1nccs1 206779050 IYXONGUGSIWNPV-GFCCVEGCSA-N 367.877 3.653 0 40 FHAB Cc1noc(C)c1[C@H](C)CNC(=O)N(C)[C@H]1CCCN(c2ccccc2)C1 151462148 NNRPTTXXSPMAER-BEFAXECRSA-N 370.497 3.705 0 40 FHAB CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1cccs1 3597711 CGZWIQWHIKYSSQ-OLZOCXBDSA-N 364.540 3.814 0 40 FHAB O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)N1CCc2ccccc21 4966445 NCDWMTHMSKAXPG-UHFFFAOYSA-N 367.420 3.770 0 40 FHAB Cc1cc(C)c(NC(=O)CSc2nnc3[nH]c4ccccc4n23)c(C)c1 6329104 ZKAKCCIFXDTFEN-UHFFFAOYSA-N 365.462 3.867 0 40 FHAB O=C(COC(=O)c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)OCO2 7108897 PLFJBVHYPOMBAT-UHFFFAOYSA-N 353.157 3.762 0 40 FHAB C[C@@H]1Oc2c(C(=O)Nc3cccc(C(=O)NC4CC4)c3)cccc2[C@H]1C 8428220 ZQPYHDDVQMZHBO-STQMWFEESA-N 350.418 3.716 0 40 FHAB O=C(CSCc1ccccc1)NC[C@@](O)(c1ccoc1)c1cccs1 238858025 KELKJYLTKREHLN-LJQANCHMSA-N 373.499 3.627 0 40 FHAB Cc1cc(Br)cnc1N1CCC(Oc2nccs2)CC1 2086854482 GYMAOMACJLNVNY-UHFFFAOYSA-N 354.273 3.657 0 40 FHAB Cc1nc2sc([C@H](c3ccccc3)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 23156790 TWNXXGNDLYDOKC-XEZPLFJOSA-N 356.495 3.872 0 40 FHAB CCn1cnnc1CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 40108382 XHQHVAAQFUYIMM-UHFFFAOYSA-N 364.327 3.507 0 40 FHAB CN(Cc1ccc(Br)cc1)C(=O)NCc1ccc(F)cc1 30979903 ZSUKNNWPSOMAMH-UHFFFAOYSA-N 351.219 3.930 0 40 FHAB O=C(NCCN1CCc2ccccc2C1)c1cc(Cl)sc1Cl 31338435 FTVRDKHJRKJZDG-UHFFFAOYSA-N 355.290 3.843 0 40 FHAB COc1ccc(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)c(N)c1 20345555 OUWVSFOFSCRORW-UHFFFAOYSA-N 367.405 3.714 0 40 FHAB COc1ncccc1NC(=O)Nc1ccc(N2CCSCC2)cc1C 51236476 YXIHSEMDLPWWRV-UHFFFAOYSA-N 358.467 3.596 0 40 FHAB C[C@H](Sc1nc2ccccc2c(=O)n1CCCO)c1ccc(F)cc1 21280505 IGBXUIIUNLHAHU-ZDUSSCGKSA-N 358.438 3.771 0 40 FHAB O=C(c1ccc(F)cc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 21532783 SYUDHJDFTSTYKI-UHFFFAOYSA-N 367.346 3.592 0 40 FHAB CCCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccncc1 796387 INODXHVYTOCJRM-UHFFFAOYSA-N 367.478 3.789 0 40 FHAB CCC(=O)Nc1sc(C(=O)Nc2cccc(C)c2)c(C)c1C(=O)OC 871551 BPEVVIQSBWCQNE-UHFFFAOYSA-N 360.435 3.752 0 40 FHAB O=C(Nc1cccc(COC[C@H]2CCCCO2)c1)c1cn2ccccc2n1 46733314 KSXISNAZEBLQAY-GOSISDBHSA-N 365.433 3.672 0 40 FHAB CCNC(=S)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 1224189 HWLLHMJFARHTIB-UHFFFAOYSA-N 357.523 3.866 0 40 FHAB O=C(O[C@H](C(=O)NCc1ccco1)c1ccccc1F)c1cccs1 1381276 PIWLNXUHWLHQNT-INIZCTEOSA-N 359.378 3.695 0 40 FHAB COc1cccc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)c1 1517390 YMKPTBOXEGNPLI-UHFFFAOYSA-N 352.434 3.820 0 40 FHAB Cc1cc(O[C@@H](C(=O)O)c2ccccc2)c2c3c(c(=O)oc2c1)CCC3 4029858 IFNNROYPOKHTJN-LJQANCHMSA-N 350.370 3.795 0 40 FHAB biogenic CC1(C)C[C@]1(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 4202708 CCOUICUIRXMYBN-NRFANRHFSA-N 351.402 3.778 0 40 FHAB CCOc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 4965649 RHLPQEJKKMNHRL-INIZCTEOSA-N 367.449 3.968 0 40 FHAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)[nH]2)cc1 6441544 QIIAKSLTTXUEAS-UHFFFAOYSA-N 374.853 3.865 0 40 FHAB COc1c(Br)cc(Br)cc1CNCC(C)C 6883550 WMIJDHYACNAUGL-UHFFFAOYSA-N 351.082 3.966 0 40 FHAB Cc1ccccc1[C@H](C)NC(=O)CCCNC(=O)c1ccc(F)cc1F 22241350 UGCLVUDPWKGPJX-AWEZNQCLSA-N 360.404 3.661 0 40 FHAB Cc1cc(CSc2ccccc2C(=O)Nc2nnc3ccccn23)on1 41837074 ZVLKMJJXOHFYPB-UHFFFAOYSA-N 365.418 3.570 0 40 FHAB Cc1cc2nnc(SCC(=O)NC3CCCCC3)n2c2ccccc12 887632 XISXUPWXQUEZMF-UHFFFAOYSA-N 354.479 3.732 0 40 FHAB COC(=O)c1cccc(Nc2nc3ccccc3nc2-n2nc(C)cc2C)c1 985020 MKYCWJOBXPRKNS-UHFFFAOYSA-N 373.416 3.963 0 40 FHAB COC(=O)c1ccc(NC(=O)/C(Br)=C/c2ccccc2)cc1 955248 NQNZEZRWUOWJJR-PTNGSMBKSA-N 360.207 3.848 0 40 FHAB COc1ccc(N2C(=O)C[C@@H](Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 101276013 RHHNJXLGTBNERH-OAHLLOKOSA-N 365.216 3.746 0 40 FHAB CCc1cccc(N2C(=O)/C(=C/c3cc(C)c(O)c(C)c3)NC2=S)c1 102912789 OLRDMVPWLYYMRA-BOPFTXTBSA-N 352.459 3.834 0 40 FHAB C[C@@H](NC(=O)c1cccc(-n2cccc2)c1)c1ccc(-n2cncn2)cc1 12549318 QVZMBVCGTIWKOC-MRXNPFEDSA-N 357.417 3.549 0 40 FHAB O=C(/C=C/c1cccc2cccnc12)NCc1ccc(N2CCCC2=O)cc1 25152565 BJAAJYNHGCJKQN-JLHYYAGUSA-N 371.440 3.691 0 40 FHAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1n[nH]c2ccccc12 12507583 KUYQVTCZTYBYOZ-UHFFFAOYSA-N 362.414 3.874 0 40 FHAB Cc1ccc2c(=O)cc(C(=O)Nc3nnc(CC(C)C)s3)oc2c1C 17016380 MYNFMNQLJIPIGG-UHFFFAOYSA-N 357.435 3.712 0 40 FHAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4CCCC4=C4CCC[C@H]4[C@H]3C2=O)cc1 101592850 DZPGNKNDQDGSDR-FGYAAKKASA-N 365.429 3.628 0 40 FHAB COc1ccccc1C(=O)COC(=O)Cc1ccc(Cl)cc1Cl 3240968 PVILSAGUHVOPIJ-UHFFFAOYSA-N 353.201 3.971 0 40 FHAB Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N(C)C2=S)cc1C 3285290 PRPSCFQHFLVEEB-SXGWCWSVSA-N 366.442 3.637 0 40 FHAB CCS(=O)(=O)c1ccccc1C(=O)N(C)Cc1c(F)cccc1Cl 57767074 FBNZTPUAFYIGNS-UHFFFAOYSA-N 369.845 3.545 0 40 FHAB Cc1cc(=O)oc2cc(N[C@@H](C(=O)NC3CC3)c3ccc(F)cc3)ccc12 10174596 FTWIZNIBMYNYJY-HXUWFJFHSA-N 366.392 3.672 0 40 FHAB O=C(NCCC(=O)N(Cc1ccco1)c1ccc(F)cc1F)c1ccoc1 58171330 LCWMKYSQHUVBBO-UHFFFAOYSA-N 374.343 3.504 0 40 FHAB O=C(CSCc1cccc(Cl)c1)NCCCN1CCCCCC1 10111101 RMVHRLAABLAQJE-UHFFFAOYSA-N 354.947 3.956 0 40 FHAB CCOc1ncccc1NC(=O)N1CC=C(c2ccc(OC)cc2)CC1 48200764 MZHPQAFHPGSEEW-UHFFFAOYSA-N 353.422 3.810 0 40 FHAB O=C(OCC(=O)N1CCc2ccccc21)c1cccc(Cl)c1Cl 3369570 VARRYQFNCNYEIC-UHFFFAOYSA-N 350.201 3.740 0 40 FHAB O=C(Nc1ccc(N2CCOCC2)nc1)C1(c2cccc(F)c2)CCCC1 12815205 ZWUPMFOOPBRUAQ-UHFFFAOYSA-N 369.440 3.508 0 40 FHAB O=C(COc1ccc(Br)cc1F)Nc1ccc(F)cc1F 3404353 VIFKRNULCGRBQU-UHFFFAOYSA-N 360.129 3.884 0 40 FHAB CCc1ccc(-c2csc(NC(=O)[C@H](C)Sc3nncn3C)n2)cc1 3569279 HJCKPVUVWFILRA-NSHDSACASA-N 373.507 3.620 0 40 FHAB O=C1CCC[C@H]1Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F 3560961 YEYWOYBJTJTSOG-QGZVFWFLSA-N 372.396 3.878 0 40 FHAB COc1ccc(NC(=O)NCC(=O)Nc2ccccc2C(C)(C)C)cc1 12945529 NYDONGNGDUILEO-UHFFFAOYSA-N 355.438 3.753 0 40 FHAB Clc1ccc2c(NCc3ccccc3CN3CCOCC3)ncnc2c1 12924932 VBGPMBYBFYBDED-UHFFFAOYSA-N 368.868 3.728 0 40 FHAB COc1ccccc1NC(=O)CCSc1nnc(-c2ccc(O)cc2)o1 13125526 KQEPPFTWQCUNID-UHFFFAOYSA-N 371.418 3.572 0 40 FHAB O=C(CCn1ccc2ccc(Br)cc21)Nc1nccs1 13684758 KBWLOUAOKFCWER-UHFFFAOYSA-N 350.241 3.889 0 40 FHAB FC(F)Oc1ccc(NC(=S)N2CCn3c2nc2ccccc23)cc1 5109683 GLNGFQHZYYIYTA-UHFFFAOYSA-N 360.389 3.855 0 40 FHAB O=C1SCCN1CCC(=O)N1CCc2sccc2[C@H]1c1ccccc1 39998456 KJZHBCGHPPLNSN-GOSISDBHSA-N 372.515 3.781 0 40 FHAB CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(N(C)C)cc1)C2 4413717 CUQUSXDPGMLORZ-OAHLLOKOSA-N 354.450 3.869 0 40 FHAB CN1C(=O)S/C(=C/c2cccn2-c2cccc(Br)c2)C1=O 4457094 JPYFJKGHHNFGFO-UKTHLTGXSA-N 363.236 3.906 0 40 FHAB C[C@@H]1CN(C(=O)c2c(Cl)nc3ccccn23)C[C@H](c2ccccc2)O1 65529519 ZGAPZPXKVWXSJY-UKRRQHHQSA-N 355.825 3.590 0 40 FHAB CCOc1ccc2oc(C(=O)NC[C@@H]3COc4ccccc4O3)c(C)c2c1 14240819 OBFOVYDZBAPLBB-OAHLLOKOSA-N 367.401 3.710 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2C)cc1F 5500368 WHCCNWPHXVEHIT-UHFFFAOYSA-N 356.426 3.660 0 40 FHAB CCOC(=O)N[C@@H](CC(=O)Nc1cc(C)ccc1OC)c1ccccc1 409004622 XTYHPVXKIIVGAK-INIZCTEOSA-N 356.422 3.820 0 40 FHAB CSc1nc(C)c(CCC(=O)N[C@H]2CCCc3ccccc32)c(C)n1 6789272 UCNKTUMAHYBVHC-SFHVURJKSA-N 355.507 3.942 0 40 FHAB Cc1nnc(SCc2nc3ccccc3c(=O)[nH]2)n1C1CCCCC1 5865473 JDIJQHLOODNCBI-UHFFFAOYSA-N 355.467 3.621 0 40 FHAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1c(F)cccc1F 5860000 MNISLNIYCKPMBN-UHFFFAOYSA-N 361.388 3.949 0 40 FHAB CC1CCN(CCc2nc3cc(NC(=O)c4ccco4)ccc3n2C)CC1 5824516 LYFCSYTVZODRGT-UHFFFAOYSA-N 366.465 3.693 0 40 FHAB CCOC(=O)CSc1nc2ccccc2c2nc(-c3ccccc3)nn12 6918742 JQAXAYOXFYTVRK-UHFFFAOYSA-N 364.430 3.600 0 40 FHAB Cc1cc(-n2cc(C(=O)N3CC=C(c4ccccc4)CC3)nn2)ccc1F 67263115 OUCOUGQKDMZJDT-UHFFFAOYSA-N 362.408 3.644 0 40 FHAB CCc1ccc(-c2noc(CSc3nc4nc(C)cc(C)n4n3)n2)cc1 7083024 MUOKAHBCCCILGN-UHFFFAOYSA-N 366.450 3.646 0 40 FHAB Cc1nc(N2CCn3c(nnc3-c3ccccc3)C2)nc(C)c1CC(C)C 80229852 KGGXLTJOCZBYMP-UHFFFAOYSA-N 362.481 3.571 0 40 FHAB COc1ccc(C)cc1S(=O)(=O)NCCSc1ccc(Cl)cc1 7688714 CHQAFYOZVLKURP-UHFFFAOYSA-N 371.911 3.728 0 40 FHAB CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 16552677 IINBSIYGKZQAPV-NZWMYCLXSA-N 362.495 3.824 0 40 FHAB O=C(NCCCc1ccccc1)c1n[nH]nc1Nc1cccc(Cl)c1 67284108 ZRHHUJWUUALORR-UHFFFAOYSA-N 355.829 3.564 0 40 FHAB COc1ccc(C)cc1CN(C)C(=O)[C@@H](NC(=O)C1CCCCC1)C(C)C 22276588 WHRZPEOCNOJERK-FQEVSTJZSA-N 374.525 3.683 0 40 FHAB C[C@H](Sc1nncn1-c1ccccc1)C(=O)NC[C@H](C)c1ccccc1 9322095 ZQDKXSNHMWEVAV-HOTGVXAUSA-N 366.490 3.668 0 40 FHAB Cn1cc(-c2nnc3sc(-c4cc(Cl)ccc4Cl)nn23)cn1 72405197 IJSGYJXIVACXQW-UHFFFAOYSA-N 351.222 3.560 0 40 FHAB COCCOC(=O)Nc1cccc(NC(=O)c2cc3c(s2)CCC3)c1 83911708 WKXQNBQTCCLUGM-UHFFFAOYSA-N 360.435 3.684 0 40 FHAB CC(C)(C)[C@@H](CCO)NCc1nc(-c2ccc(C(F)(F)F)cc2)no1 95466599 JSOZPBJEFZLLCZ-CYBMUJFWSA-N 357.376 3.642 0 40 FHAB CCc1ccsc1C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C 89289596 JYERSFCPIWOFEH-STQMWFEESA-N 352.500 3.686 0 40 FHAB CCCCOc1ccc(NC(=O)NC2(CO)Cc3ccccc3C2)c(C)c1 75094211 YUMJKLSKSYPFEN-UHFFFAOYSA-N 368.477 3.825 0 40 FHAB CCc1ccc(NC(=O)[C@@H](C)N2CCN(c3cccc(C)c3)CC2)cc1 27382082 FIHDJOUKDNZAIK-GOSISDBHSA-N 351.494 3.707 0 40 FHAB CCN(CC)c1cc2[nH]c(O)nc2cc1NC(=O)/C=C/c1ccccc1 408536668 XFISPMFLJYGPNG-ZHACJKMWSA-N 350.422 3.767 0 40 FHAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1OC 20492236 CFWVEBICUMXXHC-GFCCVEGCSA-N 374.462 3.782 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1C 408609824 SDRDDSOJFPWVPN-UHFFFAOYSA-N 354.431 3.907 0 40 FHAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 408586325 BDYBKZHFZFRUIG-UHFFFAOYSA-N 365.430 3.500 0 40 FHAB O=C(c1ccc(=NCC2CC2)[nH]c1)N1CCC(c2c[nH]c3ccccc23)CC1 548740607 OJOULODMSLHYKY-UHFFFAOYSA-N 374.488 3.827 0 40 FHAB Cc1nc(NC(=O)Nc2cccc3ccccc23)sc1C(=O)N(C)C 32609817 AWAIARUBRFKJDV-UHFFFAOYSA-N 354.435 3.951 0 40 FHAB CN(Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)Cc1ccccc1F 36703900 MGNCVOVNSIFOJP-UHFFFAOYSA-N 374.416 3.701 0 40 FHAB Brc1ccc(-c2ccc(Oc3nccn4nnnc34)cc2)cc1 531384316 KLCMYJWPHFHQTA-UHFFFAOYSA-N 368.194 3.741 0 40 FHAB O=C(COc1ccccc1-c1ccccc1)NCCCN1CCCCC1 39985000 ACPLUDGPRILEPS-UHFFFAOYSA-N 352.478 3.725 0 40 FHAB COc1ccccc1-c1csc(NC(=O)Cc2ccccc2C(=O)O)n1 71284384 MJHSAMZCXPAUFR-UHFFFAOYSA-N 368.414 3.698 0 40 FHAB Oc1ccc(CN2CCC[C@@H]2c2ccnc(Nc3nccs3)n2)cc1 72377891 RPGWCKUAICXYKC-MRXNPFEDSA-N 353.451 3.719 0 40 FHAB CCOc1cccc(NC(=O)c2ccc(I)cc2)c1 13669849 JVKSWHYNPAVNJH-UHFFFAOYSA-N 367.186 3.942 0 40 FHAB O=C(NCCCc1nc(-c2ccc(F)cc2)no1)c1ccc(Cl)cc1 35672895 LRTMMUTWWUTTAD-UHFFFAOYSA-N 359.788 3.892 0 40 FHAB CC(C)(C)Nc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(=O)O 217582196 MPVISEXHQGZKMX-UHFFFAOYSA-N 368.499 3.596 0 40 FHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@@H]2c1ccc(F)c(Cl)c1 71279789 RYKGOYWVBRIKFE-LLVKDONJSA-N 365.792 3.671 0 40 FHAB CCOc1ccc(Cl)c(C(=O)Nc2cccc(-c3ccc(O)nn3)c2)n1 61459034 RUXVQHGYKCZMRL-UHFFFAOYSA-N 370.796 3.549 0 40 FHAB CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)OC)c2)cc1 223801673 GEWWKUYCOQGGSN-UHFFFAOYSA-N 361.463 3.925 0 40 FHAB S=C(NCC1(c2ccccc2)CCOCC1)Nc1cccnc1Cl 224011910 HLMKAWLJCFNERA-UHFFFAOYSA-N 361.898 3.770 0 40 FHAB COc1cc(/C=C/C(=O)NCCCN2CCC[C@H](C)C2)ccc1OC(C)C 40108082 ANBTXLIBMLDORQ-CKDFRHGISA-N 374.525 3.734 0 40 FHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1 224517213 SWGITRPEOPCDPS-NRFANRHFSA-N 366.505 3.809 0 40 FHAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1 222899957 YHDHLLYAYZKGME-NRFANRHFSA-N 366.505 3.604 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)Cn1ccc(=O)c2cc(Cl)ccc21 225725387 QYHIUVGAKUGGCG-OAHLLOKOSA-N 368.864 3.792 0 40 FHAB COc1ccc(NC(=S)NCCCSCc2ccco2)c(OC)c1 225593182 KIRZZMCRJAUYFG-UHFFFAOYSA-N 366.508 3.907 0 40 FHAB CC(C)(C)OC(=O)Nc1ccccc1[Sn](C)(C)C 196030366 PMHMCDKAWYNLJW-UHFFFAOYSA-N 356.054 3.579 0 40 FHAB CCc1ccc(CC)c(CNC(=O)c2ccc(N3CCOCC3)cc2)c1 225123419 BIIINVVCNSXVJP-UHFFFAOYSA-N 352.478 3.578 0 40 FHAB COc1ccc(-c2noc(CN3CCCN(C)c4ccc(F)cc43)n2)cc1 532730994 SWRYHJXXVNHRKG-UHFFFAOYSA-N 368.412 3.731 0 40 FHAB Clc1cccc(-c2cnc3n2C[C@H](CNCc2ccccc2)OC3)c1 96269361 RZEMVSYYIGHBLG-SFHVURJKSA-N 353.853 3.892 0 40 FHAB biogenic,in-vitro C[C@@H](Oc1cccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)c1)C(=O)O 91695335 QQWSOLGFMIHLMA-SNVBAGLBSA-N 354.328 3.685 0 40 FHAB Cc1cccc(CN2CCC3(CC2)OCC[C@@H]3CCOc2ccccn2)n1 247866464 IYSSJTVVBYFMJD-IBGZPJMESA-N 367.493 3.625 0 40 FHAB Cc1nc(-c2ccccc2C(=O)O)cc([C@H]2CCN(C(=O)C(C)(C)C)C2)n1 257278213 OBHVNPSGIKVVDF-AWEZNQCLSA-N 367.449 3.512 0 40 FHAB CCCn1nccc1-c1cncc(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)n1 257321987 WEEWFWACUKXWDQ-INIZCTEOSA-N 369.513 3.577 0 40 FHAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC(c3onc4c3C[C@@H](C)CC4)CC2)C1 253589749 MHGSFUAYPNOSCY-USXIJHARSA-N 360.498 3.711 0 40 FHAB Cc1ccc2c(CC(=O)N3CCC[C@@H](c4nc(C)cn4C)C3)coc2c1 257249437 JIICFLGPEBUGCU-MRXNPFEDSA-N 351.450 3.732 0 40 FHAB O=C(O)C1CCN(C(=O)NCCC(c2ccccc2)c2ccccc2)CC1 263094662 VVYULMVWJNBXSE-UHFFFAOYSA-N 366.461 3.715 0 40 FHAB Cc1cccc(C(=O)N[C@H](C)C(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)c1 608553474 MXOYFCSPTQCOCQ-NUJGCVRESA-N 354.450 3.706 0 40 FHAB C[C@H](Nc1ncnc2c1nnn2C)c1ccc(Oc2ccccc2)c(F)c1 1639309225 OLUVRAXHGMREGV-LBPRGKRZSA-N 364.384 3.863 0 40 FHAB O=C(NCc1cccc2ccccc12)Nc1cnn(C[C@@H]2CCCCO2)c1 390829350 YAMHUAKOKGEMDT-IBGZPJMESA-N 364.449 3.927 0 40 FHAB CCCCc1noc([C@H](C)Nc2cccc(-c3nc(CC)cc(=O)[nH]3)c2)n1 56176622 PMDABLJWLCTTCJ-ZDUSSCGKSA-N 367.453 3.898 0 40 FHAB C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2ccc(Br)o2)C1 58264964 KGRQDDYCSAFSPB-FRRDWIJNSA-N 355.276 3.520 0 40 FHAB Oc1cc(C2CCN(Cc3ccccc3F)CC2)nc(-c2ccccn2)n1 72392820 FLXMYAWRRDUTKN-UHFFFAOYSA-N 364.424 3.763 0 40 FHAB in-vitro COC(=O)/C(=C(\F)SCC(=O)c1ccc(OC)cc1)C(F)(F)F 5065909 XGUGMFVSWHUIEX-QXMHVHEDSA-N 352.305 3.528 0 40 FHAB COc1cccc(C2=N/C(=C/c3ccc(OC(C)C)c(OC)c3)C(=O)O2)c1 5000727 ZMAXXFPXCPHSOM-LICLKQGHSA-N 367.401 3.836 0 40 FHAB Cc1cc(-c2cnc(N3C[C@H](C)O[C@@H](C)C3)nc2-c2ccc(C)o2)on1 12186068 POKFKVKFPACXKL-KBPBESRZSA-N 354.410 3.622 0 40 FHAB CCCc1nn(CC(=O)Nc2cc(C)cc(C)c2)c(=S)n1-n1cccc1 16807055 WDLWYUYGTUXTKM-UHFFFAOYSA-N 369.494 3.735 0 40 FHAB Cc1c(-c2cc(-c3cnn(C)c3C)n(-c3ccc(Cl)cc3)n2)cnn1C 17075364 VIQMXJVHLYQUEG-UHFFFAOYSA-N 366.856 3.944 0 40 FHAB Cc1cc(-c2cnn(C)c2[C@@H]2CCCCN2C(=O)c2ccccc2F)on1 19124409 HJXKDEJZTGYXEE-KRWDZBQOSA-N 368.412 3.890 0 40 FHAB CC(C)c1cc(C(=O)N2CCC[C@@H](c3nnc(-c4ccsc4)o3)C2)no1 19452704 OBCNWMGUJGMSBA-GFCCVEGCSA-N 372.450 3.929 0 40 FHAB Brc1ccc(Nc2ncnc3c2ncn3C[C@@H]2CCCO2)cc1 1888913671 RJHNHYSUBFXOEK-ZDUSSCGKSA-N 374.242 3.511 0 40 FHAB Cc1cc(CN2CCC[C@@H](COc3ncccc3C(F)(F)F)C2)on1 1776000846 MVRFRYSMTYGRNB-CYBMUJFWSA-N 355.360 3.688 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2nnc(-c3ccc(C)cc3)s2)c1 3227477 NCJVCVZBUSUQNN-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)CCCN2C(C)=O 5373596 WJOCZUZFEIPQOH-UHFFFAOYSA-N 358.825 3.900 0 40 FHAB O=C(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1cccc(Cl)c1 10509247 IUWXJPWQTPIBNB-UHFFFAOYSA-N 371.799 3.745 0 40 FHAB COc1ccc(N2CCn3c(SCc4cccc(F)c4)nnc32)cc1 16954022 OJZPXDRBJGGGEP-UHFFFAOYSA-N 356.426 3.870 0 40 FHAB Cc1ccc(N2N=N[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]32)cc1C 101260335 OFGUCQMPCWBOCQ-IRXDYDNUSA-N 368.824 3.763 0 40 FHAB CCc1ccc(C(=O)CCNc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 55175008 HZDFCBFSNLBDBG-UHFFFAOYSA-N 369.417 3.507 0 40 FHAB Cc1nc(COc2ccc(C(=O)NC[C@@H](C)N3CCCCC3)cc2)cs1 40157559 VOALQIHYYSZHRO-OAHLLOKOSA-N 373.522 3.635 0 40 FHAB COC(=O)CCN(CC(C)C)C(=O)c1csc(-c2cccs2)n1 40151113 BFMQEDJIKBABIR-UHFFFAOYSA-N 352.481 3.533 0 40 FHAB O=C(O)[C@H]1[C@@H]2C=C[C@@H]([C@H]3C[C@H]23)[C@H]1C(=O)Nc1cc(Cl)ccc1Cl 102093567 NESGGQJUKXNZIS-MVGTYIKUSA-N 352.217 3.701 0 40 FHAB COc1ccc(CN(C)[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1F 32718918 LBFDXFVQYUKLFK-YMXMSLLWSA-N 374.500 3.740 0 40 FHAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccccc1C(=O)O 8714938 KGCKKXDKQATJSU-UHFFFAOYSA-N 363.435 3.626 0 40 FHAB CCN(CC)[C@@H](CNC(=O)COc1ccccc1)c1ccccc1Cl 11917252 QVNDIEQNLAHUFD-IBGZPJMESA-N 360.885 3.918 0 40 FHAB O=C(CSc1nnc(-c2cccc(O)c2)o1)Nc1ccc(Cl)cc1 976132 IHYZKXGZQPTCIL-UHFFFAOYSA-N 361.810 3.826 0 40 FHAB COc1ccc(-c2noc(COC(=O)c3cccc(Cl)c3)n2)cc1OC 8449171 ZGCYBACVMKIZLA-UHFFFAOYSA-N 374.780 3.764 0 40 FHAB Cc1ccc(NC(=O)CN2CCC(C(=O)c3ccc(F)cc3)CC2)c(C)c1 1336599 JRCYMRSSWJLXCR-UHFFFAOYSA-N 368.452 3.976 0 40 FHAB CCCCOC(C(=O)OCCN(C)C)(c1ccccc1)c1ccccc1 1608968 GKDSSWBKXQWYDF-UHFFFAOYSA-N 355.478 3.852 0 40 FHAB Cc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)c(C)c1 4307671 UZUIQZIXPSLVFN-HXUWFJFHSA-N 370.836 3.607 0 40 FHAB COc1cc(NC(=O)c2cccc(OC(F)F)c2)cc(OC)c1OC 655663 DWPOIAHYJYXOOF-UHFFFAOYSA-N 353.321 3.566 0 40 FHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3cccc(F)c3)n2)cc1 8753078 BJVCJXJIUMHRQX-UHFFFAOYSA-N 369.421 3.838 0 40 FHAB Cc1ccc(-n2nc3ccc(NC(=O)C(F)(F)F)cc3n2)cc1Cl 8071128 UMZICOVAJSEUPB-UHFFFAOYSA-N 354.719 3.883 0 40 FHAB O=C(C1CCN(Cc2cccc3cccnc23)CC1)N1CCCCCC1 22516228 QZKFUVDHQODHOQ-UHFFFAOYSA-N 351.494 3.849 0 40 FHAB C[C@H](NC(=O)N(Cc1ccccc1Br)C1CC1)[C@H]1CCCO1 46970897 MUXYWUIFEFEFHY-BLLLJJGKSA-N 367.287 3.691 0 40 FHAB COC(=O)c1c(NC(=O)c2ccc(Br)o2)sc2c1CCC2 997445 PLJCCZKGKWZEFB-UHFFFAOYSA-N 370.224 3.631 0 40 FHAB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=S)N[C@H]1c1ccsc1 9321974 MUGOCHLHGSMGIK-HNNXBMFYSA-N 362.451 3.770 0 40 FHAB Cc1nc(-c2ccccn2)sc1C(=O)/N=c1/sc2ccccc2n1C 105264457 RVYMPODQBSKMFZ-DYTRJAOYSA-N 366.471 3.808 0 40 FHAB O=C(c1ccc(F)cc1)N1CCC[C@H](C(=O)N2CCC[C@H]3CCCC[C@@H]32)C1 24884610 VGAGGYIAQCJZOR-KPFFTGBYSA-N 372.484 3.859 0 40 FHAB O=C(NC[C@H]1COCCO1)Nc1ccc(-c2nc3ccccc3s2)cc1 56564028 DHTQEYWDRHITOZ-HNNXBMFYSA-N 369.446 3.500 0 40 FHAB CC(C)(C)OC(=O)N1CCC(Cc2ccccc2Cl)(C(=O)O)CC1 35571459 QHSSQYCGUSTHRH-UHFFFAOYSA-N 353.846 3.984 0 40 FHAB Cc1ccc([C@@H](CNS(=O)(=O)c2ccc3ccccc3c2)N(C)C)cc1 10090578 DNYWWEMEQATTQG-OAQYLSRUSA-N 368.502 3.729 0 40 FHAB COCc1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)CC(C)(C)C3 10156920 WILUSVDZZQCUAV-UHFFFAOYSA-N 370.840 3.746 0 40 FHAB C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1nc(-c2ccc(F)cc2)no1 58177728 IGTORIGQPRWYQB-GFCCVEGCSA-N 364.380 3.777 0 40 FHAB Cc1cccc2nc(C(=O)O[C@H](C)C(=O)Nc3ccc4ccccc4c3)cn12 21371153 HKOOFWHJYZZJAL-OAHLLOKOSA-N 373.412 3.980 0 40 FHAB COc1ccc(OCCNC(=O)CCCOc2ccc(Cl)cc2)cc1 59363548 IRYHNWFBVGOEDK-UHFFFAOYSA-N 363.841 3.703 0 40 FHAB Cc1ccc(CN(C(=O)CNC(=O)c2ccccc2Cl)C2CC2)cc1 25293162 CXZXIQHCIDAGSA-UHFFFAOYSA-N 356.853 3.569 0 40 FHAB O=C(NC1CCCCCCC1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 58368740 SOAKGMFPVPKLGL-CYBMUJFWSA-N 350.409 3.547 0 40 FHAB COc1ccccc1NC(=O)COc1cc(C)nc(-c2ccc(C)cc2)n1 21657881 VTYPVAGJNROUDH-UHFFFAOYSA-N 363.417 3.787 0 40 FHAB C[C@@H](Cc1ccc(N(C)C)cc1)NC(=O)c1nc(Cl)ccc1Cl 58366995 XVTRLDYSZCNTKK-NSHDSACASA-N 352.265 3.815 0 40 FHAB CCOC(=O)C1CCN(c2ncnc3c2[nH]c2ccc(Cl)cc23)CC1 2212759 RPGADZDNADLWCX-UHFFFAOYSA-N 358.829 3.544 0 40 FHAB C[C@@H](Sc1nnc(-c2cccs2)n1C)C(=O)NC1CCCCCC1 10710869 XBVHAFSLLOJMKM-GFCCVEGCSA-N 364.540 3.863 0 40 FHAB CCOc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)n3nc(N)nc3N2)cc1 2374860 XRXWNGQBTQIXHY-SJORKVTESA-N 353.401 3.544 0 40 FHAB Cc1ccc(C(=O)NCC(=O)OCc2ccc(Cl)c(Cl)c2)cc1 3313335 HGBJVZZBDHKPFR-UHFFFAOYSA-N 352.217 3.775 0 40 FHAB O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1cc(F)cc(F)c1 12869442 PUTSMWZRIBEUOL-MRXNPFEDSA-N 366.433 3.646 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(Br)cc1 3514831 IQLCYOKRODQTGM-AWEZNQCLSA-N 362.267 3.965 0 40 FHAB Nc1c(Cl)cc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1Cl 12948576 CWVYOAKQTUIHFL-UHFFFAOYSA-N 353.177 3.655 0 40 FHAB COc1ccccc1NC(=O)[C@H](C)Oc1ccc(F)c2c1C(=O)C[C@H]2C 12931353 LXOJAOMPNGZIIY-NEPJUHHUSA-N 357.381 3.930 0 40 FHAB O=C1c2ccc(Br)cc2C(=O)N1Cc1ccc(Cl)cc1 4151128 YMFYZWVDRWRASA-UHFFFAOYSA-N 350.599 3.899 0 40 FHAB CC(=O)c1cccc(NC(=O)COC(=O)CCCOc2ccc(C)cc2)c1 4244274 GDJLNUSIVQTYRA-UHFFFAOYSA-N 369.417 3.539 0 40 FHAB C[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCc2ccccc21 5127155 LQKAAEAEQAMQGG-XSXQVXRUSA-N 353.462 3.724 0 40 FHAB COc1cc(N[C@@H](C)c2nc(C(C)(C)C)no2)ccc1N1CCCC1=O 65534090 FQDODFZWQCONDB-LBPRGKRZSA-N 358.442 3.676 0 40 FHAB O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)NC[C@@H]1CCCO1 14251500 ZVQGPHIPOLVCMT-NSHDSACASA-N 371.289 3.955 0 40 FHAB O=C1C[C@@H](C(F)(F)F)c2scc(S(=O)(=O)c3ccccc3)c2N1 66089643 JPWKCMNPHCOTKU-SECBINFHSA-N 361.366 3.569 0 40 FHAB CCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2C)cc1 5575036 WTIKMAOYIZDSGY-QGZVFWFLSA-N 353.349 3.506 0 40 FHAB O=C(CCSc1nnc(COc2ccccc2)o1)Nc1ccccc1 6603099 IYAKKIGBWCXVGP-UHFFFAOYSA-N 355.419 3.770 0 40 FHAB CC(C)[C@H](C)NC(=O)C1CCN(Cc2ccc3c(c2)CC(C)(C)O3)CC1 92754760 NCZCNJIGZXUIEM-INIZCTEOSA-N 358.526 3.773 0 40 FHAB CC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)cc1 14898262 DCJPLKBFENTDBH-UHFFFAOYSA-N 374.400 3.992 0 40 FHAB Cc1cc(C)cc(-c2nnc(SCC(=O)N3C[C@H](C)C[C@@H](C)C3)o2)c1 5794242 SZQPVGLNGVAELV-HUUCEWRRSA-N 359.495 3.950 0 40 FHAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)[C@@H]1COc2ccccc2O1 9048156 MPERXIXVYZLSAI-PKOBYXMFSA-N 369.417 3.933 0 40 FHAB Cc1ccc(NC(=O)CN(C)CC(=O)Nc2cccc3ccccc23)cc1 7623243 BWEQNFUWZVVLOO-UHFFFAOYSA-N 361.445 3.657 0 40 FHAB Cc1ccc(OCCSCc2nc(N)nc(Nc3ccccc3)n2)cc1 7851476 NVMKUKAIIJGSQR-UHFFFAOYSA-N 367.478 3.818 0 40 FHAB Cc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)oc2ccc(F)cc12 9366747 WDVCLHMUWYNDLT-UHFFFAOYSA-N 354.381 3.969 0 40 FHAB Cn1cc(NC(=O)c2cnc(-c3ccccc3F)s2)c(C(F)(F)F)n1 97229578 KKHOWCWIKBJETM-UHFFFAOYSA-N 370.331 3.954 0 40 FHAB CC(=O)Nc1cc(NC(=O)CC2(C(=O)O)CCCCCC2)c(F)cc1F 71834549 CINMQAAKFQUVRA-UHFFFAOYSA-N 368.380 3.677 0 40 FHAB COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)c1occc1C 72290124 CWGRTFCFZKHXQS-UHFFFAOYSA-N 370.232 3.753 0 40 FHAB CC(C)c1nnc(NC(=O)N[C@H](C)c2nc3c(s2)CCCC3)s1 72289191 NUPFADUHUGHHGB-SECBINFHSA-N 351.501 3.880 0 40 FHAB COc1ccc(CCN[C@H]2CCN([C@@H](C)c3ccccc3)C2)cc1OC 95407041 SAWRYBBRTMXXEP-PXNSSMCTSA-N 354.494 3.671 0 40 FHAB CO[C@@H](CNC(=O)N1CCc2sccc2C1)c1cccc(Cl)c1 74871279 UIRWEOOGYRNPKH-HNNXBMFYSA-N 350.871 3.857 0 40 FHAB CC(C)c1nnc(NC(=O)c2c3c(nc4c2cnn4C(C)C)CCC3)s1 35686434 WDHORTMSQRKZNH-UHFFFAOYSA-N 370.482 3.728 0 40 FHAB NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1 36646227 DKUNSJHTPXIFPV-UHFFFAOYSA-N 350.875 3.681 0 40 FHAB COc1ccc(CN(C)C(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1OC 38754374 RMQJUDFZGDWZEG-ZDUSSCGKSA-N 363.841 3.783 0 40 FHAB CC(C)(C)c1ccc(/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 62714659 FLLIVAURFJGHKI-VUVZNRFTSA-N 351.446 3.809 0 40 FHAB Cc1nc2cc(NC(=O)CC[C@@H]3CCC(=O)N3)ccc2n1C1CCCCC1 72391809 RJUFDQWZWRAWKC-HNNXBMFYSA-N 368.481 3.847 0 40 FHAB CC(C)Oc1ccc(C(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)cc1 70636403 IMJTYWCVLYXEDC-SFHVURJKSA-N 367.367 3.654 0 40 FHAB COC(=O)c1nc(Nc2ccccc2)sc1C(=O)c1ccc(OC)cc1 73667296 GGPGBPXOJYFVOY-UHFFFAOYSA-N 368.414 3.913 0 40 FHAB Cc1cc(C)cc(NC(=O)N2CCC(NC(=O)c3cccc(F)c3)CC2)c1 35288965 AYSDXKRAUCMZDY-UHFFFAOYSA-N 369.440 3.869 0 40 FHAB CCn1c(SCC(=O)N2c3ccccc3C[C@@H]2C)nc2cccnc21 35289503 SMAHYSNKTXKSIP-ZDUSSCGKSA-N 352.463 3.521 0 40 FHAB COc1ccc2cc([C@@H](C)C(=O)N[C@@H](C)c3nnc4ccccn34)ccc2c1 32809147 VLDGTERFZPKGPJ-CABCVRRESA-N 374.444 3.872 0 40 FHAB CC(C)CCNC(=O)c1snnc1-c1ccc(Br)cc1 225785823 WOGMTCFGUAVXKX-UHFFFAOYSA-N 354.273 3.744 0 40 FHAB COc1cccc(-c2cnc(CCC(=O)NCc3ccccc3OC)o2)c1 224849675 FVPPPKRTZBJFGV-UHFFFAOYSA-N 366.417 3.608 0 40 FHAB Cc1ccoc1C(=O)Nc1ccnn1Cc1cccc(Br)c1 44532571 KPLCRGUNMBXKEX-UHFFFAOYSA-N 360.211 3.848 0 40 FHAB COc1ccccc1NC(=O)NCc1cccc(OCC(F)(F)F)c1 45950010 MVPIAXYBFATLBY-UHFFFAOYSA-N 354.328 3.958 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)NCCCc1cccc(OC(C)C)c1 225597356 HUNZBEADOLQXAX-UHFFFAOYSA-N 365.470 3.832 0 40 FHAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc2c(c1)OCO2 223018574 MPEUYHJSPJVUPZ-MRXNPFEDSA-N 361.825 3.851 0 40 FHAB CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(F)c1 222751163 JKAOUVSEGKAWDZ-QZTJIDSGSA-N 352.438 3.614 0 40 FHAB COc1cc2c(cc1OC)[C@H](COc1cccc3cccnc13)NCC2 41127970 KDZXNIBIDXOJDH-KRWDZBQOSA-N 350.418 3.518 0 40 FHAB COc1nc2ccccc2nc1NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 43220421 BUQFFBQTVNAIMV-AWEZNQCLSA-N 372.469 3.697 0 40 FHAB COC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1 222847516 YVJDEGOXISCAMZ-AWEZNQCLSA-N 353.418 3.758 0 40 FHAB S=C(NCCCSCc1ccco1)Nc1ccc2c(c1)OCO2 225593439 YGBZZQPVACKLKR-UHFFFAOYSA-N 350.465 3.618 0 40 FHAB CC(C)(C)CNC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 225806195 MWRIZCAORQVWAD-UHFFFAOYSA-N 355.360 3.850 0 40 FHAB COc1ccc(S(=O)(=O)NCCOc2cccc3ccccc23)cc1C 223525613 CHCWMCMNMDBVQA-UHFFFAOYSA-N 371.458 3.514 0 40 FHAB COc1cccc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 222793731 OWIRNDWHLQTVNK-SFHVURJKSA-N 355.434 3.801 0 40 FHAB O=C(NC1CC1)c1cnc(-c2noc3cc(N4CCCCC4)ccc23)s1 96154618 ATVXKEKWZFKVFE-UHFFFAOYSA-N 368.462 3.834 0 40 FHAB c1ccc(COC[C@@H]2CCC[C@]23CN(Cc2cccs2)CCO3)nc1 96160960 QHSRJAMPMPODCL-PXNSSMCTSA-N 358.507 3.731 0 40 FHAB CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)cc1 96590604 QFCBWKCKSOTMAK-CQSZACIVSA-N 372.852 3.903 0 40 FHAB Cc1ccncc1CCCN1CCO[C@H](c2cccc(OC(F)F)c2)C1 585084335 FADMLBHIGAHHGB-IBGZPJMESA-N 362.420 3.998 0 40 FHAB O=C(O)[C@@H]1CN(C(=O)c2cc3cccc(F)c3o2)C[C@H]1c1ccccc1 585085630 IFCJPRLUJLDEFH-LSDHHAIUSA-N 353.349 3.512 0 40 FHAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCCN2Cc2cc[nH]n2)n1 257299650 RQYNTJAPLXBYSY-INIZCTEOSA-N 369.498 3.744 0 40 FHAB Brc1cnc2n1C[C@H](NCc1ccc3ccccc3c1)CC2 1621102654 UHNONMPBHQJYFD-MRXNPFEDSA-N 356.267 3.903 0 40 FHAB C[C@@H]1CN(C(=O)c2ccc3c(c2)CCNCC3)CCc2ccc(Cl)cc21 653204208 OMLZCEDOZONUNU-OAHLLOKOSA-N 368.908 3.830 0 40 FHAB CCOc1ccccc1[C@@H](CC(C)C)NC(=O)N1CC[C@@H](O)C(F)(F)C1 664290739 FQZYTVXQXMONKS-NVXWUHKLSA-N 370.440 3.584 0 40 FHAB CO[C@H]1CCN(c2ccc(NC(=O)NCc3ccc(Cl)cc3)cc2)C1 96122334 LHUVNFMJJQOYKN-SFHVURJKSA-N 359.857 3.887 0 40 FHAB O=C(NC1(c2cccs2)CCOCC1)c1cc(-c2ccccc2)on1 390827964 MOSABRWYYZAHSD-UHFFFAOYSA-N 354.431 3.839 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)Nc1ccn(CCc2ccccn2)n1 51417602 JADOHVVDDUJQLT-UHFFFAOYSA-N 359.433 3.573 0 40 FHAB O=C(Cc1noc2ccccc12)N(Cc1ccccc1)C[C@@H]1CCCO1 56149537 VKGGAFUSGBQDIA-KRWDZBQOSA-N 350.418 3.578 0 40 FHAB O=C(Nc1cccc(-n2cccn2)c1)C1CN(Cc2ccc(Cl)cc2)C1 72391803 RIBPULANMZSXNA-UHFFFAOYSA-N 366.852 3.596 0 40 FHAB Cc1ccc(-n2c(SCC(=O)OC(C)C)nnc2-c2cccnc2)cc1 779264 KWPGNPGWDWVQSA-UHFFFAOYSA-N 368.462 3.681 0 40 FHAB Cc1ncncc1C(=O)N1CCC[C@]12CN(c1ccc(F)cc1)C(C)(C)C2 1615119464 IKNFYOVFWBWGST-NRFANRHFSA-N 368.456 3.588 0 40 FHAB Cn1nc2cc(Br)ccc2c1C(=O)N1CCc2cccc(F)c21 1265969326 IOCOSYHHUDVFKV-UHFFFAOYSA-N 374.213 3.678 0 40 FHAB O=C(CSc1ccc2ccccc2c1)N1CCN(c2ccccn2)CC1 5062514 HFAMZSZIMORNIK-UHFFFAOYSA-N 363.486 3.676 0 40 FHAB Cc1ccccc1OCC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 5405768 LXJOPXZHRONKBQ-NRFANRHFSA-N 355.434 3.659 0 40 FHAB Cc1cc(C)c(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c(C)c1 5439233 HZULOBPFSKTWAR-UHFFFAOYSA-N 372.490 3.794 0 40 FHAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(OC(F)F)cc2)NC(=O)N1 5833197 AMQRZFRSFJEZIP-INIZCTEOSA-N 373.359 3.555 0 40 FHAB Cc1nccn1[C@H](C)CC(=O)N[C@@H](Cc1ccsc1)c1nccs1 12087879 CLPMEVFGMCDBIQ-DOMZBBRYSA-N 360.508 3.761 0 40 FHAB Cn1c(CCC(=O)N[C@H](c2ccccc2)c2cccnc2)nc2ccccc21 12147191 BXKWPLFQHHWZFG-HSZRJFAPSA-N 370.456 3.807 0 40 FHAB Cc1ccccc1NC(=O)[C@H]1CCCN(C(=O)NCc2ccccc2)C1 12470743 AMSHDADWZPLOKI-SFHVURJKSA-N 351.450 3.555 0 40 FHAB C[C@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(N[C@@H]2CCc3ccccc32)n1 19457459 WVGJZHYLGQQLNP-MLGOLLRUSA-N 369.856 3.523 0 40 FHAB COc1cccc(C(=O)CSc2nnc3sc4ccccc4n23)c1 19797017 VDKYIJJYTALDSR-UHFFFAOYSA-N 355.444 3.928 0 40 FHAB COc1ccc2nc(N3CCC(N(C)c4ccccn4)CC3)sc2c1 1889186650 RRIFJFLFJGDXNH-UHFFFAOYSA-N 354.479 3.805 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(Br)cc1F 37375348 HDDWTVFTQYGLIW-UHFFFAOYSA-N 362.195 3.837 0 40 FHAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)c3ccc(C)c(F)c3)C2)cc1C 2037913021 LSUKRASJKRJLSI-JOCHJYFZSA-N 371.452 3.797 0 40 FHAB CCOC(=O)c1c(NC(=S)N2CCCCC2)sc2c1CCCC2 3251906 SJOSJJHZYBMGMV-UHFFFAOYSA-N 352.525 3.986 0 40 FHAB CCCn1cc(S(=O)(=O)c2ccc(F)cc2)c(=O)c2cc(CC)ccc21 4193390 CAFICICXOLQLJK-UHFFFAOYSA-N 373.449 3.946 0 40 FHAB COc1ccc(-c2nnc(NC(=O)CSc3ccc(C)cc3)o2)cc1 4496492 WOLSKGQFFHPGFK-UHFFFAOYSA-N 355.419 3.784 0 40 FHAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 5241731 DVDPCSLGOGWVPY-UHFFFAOYSA-N 372.471 3.856 0 40 FHAB O[C@H](COCC12CC3CC(CC(C3)C1)C2)CN1CCc2ccccc2C1 10383901 FYYQTGORKBBAOL-ZKTHROLGSA-N 355.522 3.639 0 40 FHAB COc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCC[C@@H](C)C2)cc1 23157249 KMUYYDKGQKKFLS-MLGOLLRUSA-N 372.494 3.635 0 40 FHAB CSc1ccccc1NC(=O)C(=O)NCc1ccc(-c2ccsc2)o1 575610963 RWHQLCVTOWCQSE-UHFFFAOYSA-N 372.471 3.985 0 40 FHAB Cc1cc(OC2CN(C(=O)c3ccc(-c4ccsc4)cc3)C2)cc(=O)o1 585325698 NKQFWKDVJIBZBS-UHFFFAOYSA-N 367.426 3.580 0 40 FHAB COc1cc(-n2c(SC)nc3ccccc3c2=O)c(OC)cc1Cl 1041807 IFJISKGLOJEMHX-UHFFFAOYSA-N 362.838 3.778 0 40 FHAB COc1cc(NC(=O)CCSCc2csc(C)n2)cc(OC)c1 40069535 NSYHSSPOUMMGEE-UHFFFAOYSA-N 352.481 3.731 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)Cc2ccccc2N2CCCCC2)s1 31074234 FIWYNOMMNMQBDA-UHFFFAOYSA-N 364.536 3.868 0 40 FHAB Cc1c(C(=O)NCCC(C)(C)C)cnn1-c1ccc(C(F)(F)F)cn1 31758442 HVGRAPIVLIXHLJ-UHFFFAOYSA-N 354.376 3.761 0 40 FHAB COc1ccc(NC(=O)CSc2nnc(-c3cccs3)o2)cc1F 51319208 URFOIJWLFGZXOP-UHFFFAOYSA-N 365.411 3.677 0 40 FHAB C[C@@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1S2)c1ccccc1F 32845053 SYABPHWTDAETNJ-CWTRNNRKSA-N 356.422 3.632 0 40 FHAB Cc1ccc2c(c1)cc(C)c1nnc(SCC(=O)NC3CCCC3)n12 877074 FKVKLOWQALBMLE-UHFFFAOYSA-N 354.479 3.650 0 40 FHAB CCCc1nc(N)nc(C(=O)Nc2cccc(C(F)(F)F)c2)c1CC 1622568 JLWLAIIVGQXIAN-UHFFFAOYSA-N 352.360 3.845 0 40 FHAB Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)NC1CCCC1 2779283 QIEPNOASWBOXJE-MRVPVSSYSA-N 368.197 3.593 0 40 FHAB COc1ccc(C(=O)Nc2nc3c(s2)Cc2cc(OC)ccc2-3)cc1 3651691 QVNUNVKGXKPTJR-UHFFFAOYSA-N 352.415 3.984 0 40 FHAB COc1cc([C@@H]2Nc3c(C)cccc3-c3cc(C)nn32)cc(OC)c1O 4458852 YQZUQNYUYYFDEN-HXUWFJFHSA-N 351.406 3.862 0 40 FHAB CCOC(=O)CCCSc1nnc(Nc2ccccc2OC)s1 6984311 PLROYJYKVMFMPW-UHFFFAOYSA-N 353.469 3.726 0 40 FHAB COc1cc(CNC(=S)Nc2cc(C)ccc2C)cc(OC)c1OC 7500741 FEXPRNSCEYTEJI-UHFFFAOYSA-N 360.479 3.816 0 40 FHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccccc1OC(F)F 22239359 NVBIAJCZFLMFAN-UHFFFAOYSA-N 371.387 3.805 0 40 FHAB O=c1cc(CSc2nnc(COc3ccccc3)o2)c2ccccc2[nH]1 8586200 IUWNOAZQWDZMSG-UHFFFAOYSA-N 365.414 3.782 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCc2sccc2C1 22597726 UZZRGOOQHJZYHM-GOSISDBHSA-N 352.459 3.597 0 40 FHAB CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(C)cn1 27642190 SFBCZXYSSNNQQG-GUYCJALGSA-N 359.857 3.827 0 40 FHAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 100377247 YBZPUNZGOXWAAB-RLUOWVSXSA-N 367.754 3.916 0 40 FHAB CCOC(=O)c1ccc(Oc2ccc3c(c2)OCO3)c(NC(=O)C2CC2)c1 12410909 RHJNICSXDFBKQL-UHFFFAOYSA-N 369.373 3.733 0 40 FHAB CSc1ccc(N2C[C@@H](C(=O)NCCC3=CCCCC3)CC2=O)cc1 25095634 WFOAEYSGNGEVSK-INIZCTEOSA-N 358.507 3.768 0 40 FHAB O=C(Oc1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1)c1cccs1 102088982 GNWACBUFBASGMC-IYVPYFHTSA-N 367.426 3.503 0 40 FHAB Cc1ccc(S(=O)(=O)NCc2ccc(OC(F)F)cc2)c(Cl)c1 25368939 WLKDNCZEZIPHMZ-UHFFFAOYSA-N 361.797 3.728 0 40 FHAB C[C@H]1CCCN(CCCNC(=O)N[C@@H]2CCOc3c(Cl)cccc32)C1 56805549 OOFAAMJQGUBCBW-WMLDXEAASA-N 365.905 3.585 0 40 FHAB O=C1C[C@@H](C(=O)Nc2cccc(Br)c2)C2(CCCCC2)O1 20745255 JZXBAPTVQVKPLZ-ZDUSSCGKSA-N 352.228 3.654 0 40 FHAB O=C1NCCCC[C@H]1Sc1nnc(-c2cccs2)n1-c1ccccc1 12543598 DXQQNPVLWQBLGW-OAHLLOKOSA-N 370.503 3.757 0 40 FHAB Cc1cc(C)cc(NC(=O)COc2cc(C)nc(N3CCC[C@H](C)C3)n2)c1 44168732 PIRAJUCZOJNDQH-AWEZNQCLSA-N 368.481 3.656 0 40 FHAB Cc1cc(-n2c(C)cc(C3=NN=C(NCc4ccco4)SC3)c2C)no1 9882384 PSQXFJLNHJQWCM-UHFFFAOYSA-N 369.450 3.580 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCC[C@H](C)C3)cc2)cc1 12557179 KYQOJPHNRMEPJF-INIZCTEOSA-N 372.490 3.668 0 40 FHAB CCC(C)(C)C1CCC(NC(=O)c2ccccc2SCC(N)=O)CC1 26895906 SAXUDGDWLWZABN-UHFFFAOYSA-N 362.539 3.989 0 40 FHAB Cc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c(C)n1C 106759256 QCXZTPJYJBLTLK-ATVHPVEESA-N 356.447 3.757 0 40 FHAB COc1ccc(CC(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1F 12615722 ZFMSKGYJLRRWEV-UHFFFAOYSA-N 365.788 3.830 0 40 FHAB CCc1ccc(OC[C@@H](O)CSc2nnc(-c3cccs3)o2)cc1 58226055 CSFMQGWJHMFIQZ-CYBMUJFWSA-N 362.476 3.893 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)N1CCCN(CCCc2ccccc2)CC1 58217569 DHSZGBKTKAXDSG-HXUWFJFHSA-N 366.505 3.621 0 40 FHAB CCOc1ccc(-c2nonc2NC(=O)c2ccc(OC)cc2)cc1C 27740944 MCOPPLKKWKCKHC-UHFFFAOYSA-N 353.378 3.705 0 40 FHAB Ic1n[nH]c2c(OCc3ccccc3)cccc12 64033705 VQZURTFNQVMZSJ-UHFFFAOYSA-N 350.159 3.747 0 40 FHAB CSc1nc2c(cnn2-c2ccccc2)c2nc(-c3ccccc3)nn12 20799511 UFUCKCOFALQEOG-UHFFFAOYSA-N 358.430 3.852 0 40 FHAB Cc1cccc(CSc2nc(=O)n(C[C@@H]3CCCO3)c3c2CCC3)c1 28286952 WRJCOVHYMJGYSH-INIZCTEOSA-N 356.491 3.512 0 40 FHAB CCOc1cccc(N2CCN([C@H](C)c3ncc(C(C)(C)C)o3)CC2)n1 175214127 QZMMXHRMIXBPTO-OAHLLOKOSA-N 358.486 3.649 0 40 FHAB Cc1ccc(Nc2ccc(NS(=O)(=O)c3ccccc3)nn2)cc1C 3340112 AOMVLWATTGGKRM-UHFFFAOYSA-N 354.435 3.638 0 40 FHAB CC(=O)c1ccccc1OCCSc1ccc(-n2nc(C)cc2C)nn1 11140223 AEUWPTMOCVDCCE-UHFFFAOYSA-N 368.462 3.653 0 40 FHAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)N[C@H](CC(C)C)c1ccccc1 11237595 BFOWDZLTSISRTH-MRXNPFEDSA-N 359.495 3.577 0 40 FHAB CC[C@@H](Oc1ccccc1)C(=O)Nc1cc(Cl)ccc1-n1cncn1 12874457 QPDKOSFLADWBIG-QGZVFWFLSA-N 356.813 3.717 0 40 FHAB C[C@@H](NC(=O)Cn1c(S)nnc1-c1ccc(Cl)cc1)c1ccccc1 12814804 QXDOYAIEZWQLJX-GFCCVEGCSA-N 372.881 3.765 0 40 FHAB C[C@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccccc1 12870805 SKCSAGNYQGUQOT-HHNLSAEISA-N 362.473 3.816 0 40 FHAB CC(=O)NCc1ccc(C2=NN=C(Nc3c(C)cccc3C)SC2)cc1 8777831 VDPYYUVQLYUPOU-UHFFFAOYSA-N 366.490 3.859 0 40 FHAB CC(C)(C)C(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 12975364 DMVDYWMCYRAIDG-UHFFFAOYSA-N 364.489 3.535 0 40 FHAB O=C(CCN1C(=O)CSc2ccccc21)Nc1ccc(F)cc1Cl 12994456 UXNFSAZNNCUTFN-UHFFFAOYSA-N 364.829 3.947 0 40 FHAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2cc(C)cc(C)c2)cc1 3634597 BWKLKDAKIIABJD-UHFFFAOYSA-N 373.456 3.620 0 40 FHAB COc1ccc(C[C@@H](NC(=O)c2ccc[nH]2)c2ccc(OC)cc2)cc1 39983243 PPLSUGSFEVPTLN-HXUWFJFHSA-N 350.418 3.746 0 40 FHAB Cc1cc(Br)ccc1NC(=O)COc1ccc2c(c1)OCO2 6231684 FEQZGAHIBPNPHM-UHFFFAOYSA-N 364.195 3.504 0 40 FHAB Cc1ccccc1-c1nnc(SCCOc2ccc(Cl)cc2)n1N 6367517 CGVYFLPJIJWOCD-UHFFFAOYSA-N 360.870 3.792 0 40 FHAB CCC(=O)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@@H](c1ccccc1)N2 5324807 UYLVIXKZZGJABA-IRXDYDNUSA-N 365.412 3.912 0 40 FHAB Cc1cc(C(=O)CSc2nc(C(C)C)n[nH]2)c(C)n1C[C@@H]1CCCO1 14142245 FHDHZMSWVREWOI-AWEZNQCLSA-N 362.499 3.500 0 40 FHAB COc1ccc(NC(=O)NCCC(=O)Nc2cc(Cl)ccc2C)cc1 14107516 CATQIGAPQBYJJL-UHFFFAOYSA-N 361.829 3.807 0 40 FHAB O=C(COc1ccccc1)Nc1nnc(CSc2ccccc2)s1 9196825 KFJQKQPZYRXQMS-UHFFFAOYSA-N 357.460 3.848 0 40 FHAB CCOC(=O)c1c(NC(=O)c2cc3ccccc3c(=O)o2)sc(C)c1C 4540181 NVVQDAZNDKJSLF-UHFFFAOYSA-N 371.414 3.900 0 40 FHAB CSCC[C@H](NC(=O)c1cc2ccccc2o1)c1nnc2ccccn12 5485322 DLLBMDILMMYPCF-AWEZNQCLSA-N 366.446 3.700 0 40 FHAB O=C(Nc1ccnn1Cc1ccccc1)c1cccnc1SC(F)F 6653443 GJZKLWIKUKKLIK-UHFFFAOYSA-N 360.389 3.893 0 40 FHAB C[C@@H]1Oc2ccccc2C(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 6669861 AQOBQOSXDUCSHO-JTQLQIEISA-N 350.201 3.943 0 40 FHAB COc1ccc(OCC(=O)NCCSCc2ccccc2Cl)cc1 4739872 DXEMIHCEAHMJQJ-UHFFFAOYSA-N 365.882 3.777 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2cc(C)nn2-c2nc3ccccc3[nH]2)cc1 5695860 YJEZTJVPPWLOOR-FMIVXFBMSA-N 373.416 3.718 0 40 FHAB aggregator CCn1c(=O)n(CCC(=O)Oc2ccc(Cl)cc2C)c2ccccc21 14701895 ZJBWAPVZDOUFHW-UHFFFAOYSA-N 358.825 3.780 0 40 FHAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 4926539 KXTOOCJAMMWJIP-QGZVFWFLSA-N 353.418 3.894 0 40 FHAB CCC(C)(CC)NC(=O)CCn1c(-c2ccc(OC)cc2)n[nH]c1=S 80653395 ZZLNANWGDDAHJW-UHFFFAOYSA-N 362.499 3.701 0 40 FHAB NC(=O)c1ccc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1 7769736 FHEGKFHABLYGLE-UHFFFAOYSA-N 350.399 3.659 0 40 FHAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1cccs1 7729020 BKMHDRQOPSOXOG-UHFFFAOYSA-N 373.381 3.753 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCC(Cc2ccccc2)CC1 7990240 GMGFVLCTJDIPKS-HXUWFJFHSA-N 368.477 3.515 0 40 FHAB COc1ccc(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)cc1 7922171 BDJQJXHSJFEXNM-ZDUSSCGKSA-N 355.463 3.936 0 40 FHAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(C(N)=O)cc1 22245923 FCNYGTVXNKDMIR-UHFFFAOYSA-N 370.409 3.685 0 40 FHAB O=C(CN1CCc2ccccc21)N1N=C(c2ccco2)C[C@@H]1c1ccco1 8164890 MOTVAFPJBJXWGJ-GOSISDBHSA-N 361.401 3.613 0 40 FHAB C[C@H]1CCCN(C(=O)c2ccn(COc3cccc(C(F)(F)F)c3)n2)C1 27973242 CNXDSJNJDLKZMH-ZDUSSCGKSA-N 367.371 3.811 0 40 FHAB COc1ccc(Cc2nn3c(COc4ccc(F)cc4)nnc3s2)cc1 8393380 TVKAHDWQCGRBAI-UHFFFAOYSA-N 370.409 3.503 0 40 FHAB Cc1cc(C)cc(OCCN(C)C(=O)c2cc(=O)c3ccccc3o2)c1 9449416 VCSWSUIQXVTUDL-UHFFFAOYSA-N 351.402 3.561 0 40 FHAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1n[nH]c(=O)n1C1CC1 8503896 JZCJXTYKDYTPRF-NEPJUHHUSA-N 360.483 3.539 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)cc1Cl 96344848 KGIDGOVYNBWLNW-GFCCVEGCSA-N 368.824 3.516 0 40 FHAB O=C(CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)Nc1cccc(F)c1 409244087 XJVJSQPMMZNJCX-OVCLIPMQSA-N 374.368 3.640 0 40 FHAB CC(C)C[C@@H]1CCN(C(=O)c2ccccc2I)C1 72305427 OBAGHAMRCUWURC-LBPRGKRZSA-N 357.235 3.799 0 40 FHAB CCCN(C(=O)Cc1cn2ccsc2n1)[C@H]1CCc2ccccc2C1 84750320 OUIYUADBGSOCMM-SFHVURJKSA-N 353.491 3.734 0 40 FHAB CCCOc1ccccc1OCC(=O)Nc1ccc(C(=O)OC)cc1C 24986099 AZEPWDQBSWMNFG-UHFFFAOYSA-N 357.406 3.588 0 40 FHAB BrC12C[C@H]3C[C@@H](C1)CC(Cc1nc([C@@H]4CCOC4)no1)(C3)C2 95965094 SFQRXOWJLUEHCR-CPLVZERVSA-N 367.287 3.850 0 40 FHAB Cc1ccc(F)c(C(=O)O[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)c1N 89626667 NJGZDHPNESESCZ-LBPRGKRZSA-N 354.381 3.934 0 40 FHAB CCC(=O)N1Cc2ccccc2[C@H](c2nccn2Cc2csc(C)n2)C1 306127087 FOFZOWQYYTVMQS-GOSISDBHSA-N 366.490 3.580 0 40 FHAB CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 35648703 PELHEBHHCKXBBY-FFVMJPMASA-N 353.440 3.526 0 40 FHAB Cc1ccc(Cc2cccc([C@H]3CCCN3C(=O)CN3CCCC3)n2)cc1 72358043 JKPUHHBSVDVDIR-JOCHJYFZSA-N 363.505 3.740 0 40 FHAB Cc1ccc(C)c(NC(=O)CSc2nc(Cc3ccccc3)n[nH]2)c1 33741031 RAFQVNKSZDFDFS-UHFFFAOYSA-N 352.463 3.743 0 40 FHAB Cc1ccc(C(=O)CCC(=O)NCCCN2CCc3ccccc32)cc1C 31254563 YADVGCRGRDMYAM-UHFFFAOYSA-N 364.489 3.835 0 40 FHAB O=C(CSc1ncnc2c(-c3ccc(F)cc3)c[nH]c12)N1CCCCC1 71328186 GAXJIBFRIULDOL-UHFFFAOYSA-N 370.453 3.869 0 40 FHAB O=C(NCc1ccc(Cn2ccnc2)cc1)c1cc(-c2ccccc2)on1 30218166 APHNVKKBXQFGGK-UHFFFAOYSA-N 358.401 3.516 0 40 FHAB CCN(CC)C(=O)c1ccccc1NC(=O)CCCOc1ccccc1 42645585 ZGLCUWCGAPDJCH-UHFFFAOYSA-N 354.450 3.966 0 40 FHAB Cn1cc(-c2nn3c(-c4cc(Cl)ccc4Cl)nnc3s2)cn1 44918037 GFXRNSJHQAISPF-UHFFFAOYSA-N 351.222 3.560 0 40 FHAB CN(C)[C@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)c1ccccc1 225183554 ISTRWHWMMHQWHJ-FQEVSTJZSA-N 354.494 3.782 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1cc(C)cc(C)c1 222984574 PTOQQWYKMFYEEQ-QGZVFWFLSA-N 370.468 3.538 0 40 FHAB COc1ccccc1OC[C@@H](C)NC(=O)COc1cccc2c1CCCC2 223315721 PKHYOEFVNMHNNC-MRXNPFEDSA-N 369.461 3.537 0 40 FHAB CCOc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2)cc1 44904767 CXHIQMKPCKOWCL-CYBMUJFWSA-N 353.871 3.919 0 40 FHAB COc1ccccc1OC[C@H](C)NC(=O)COc1ccc2c(c1)CCCC2 225206495 MGXBEABTLLRNQU-INIZCTEOSA-N 369.461 3.537 0 40 FHAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 225213858 FHRBGVJRVAKOLA-KRWDZBQOSA-N 370.518 3.559 0 40 FHAB Cn1c(Cl)nc2ccc(C(=O)NCc3cccn3-c3ccccc3)cc21 222558840 VAPCIMBPWGMZDB-UHFFFAOYSA-N 364.836 3.947 0 40 FHAB O=C(NCc1ccnc(-c2ccsc2)c1)Nc1ccc2c(c1)OCO2 225757455 IHSAAIJTWWBHOC-UHFFFAOYSA-N 353.403 3.861 0 40 FHAB Cc1cc(C)cc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c1 222488341 CRCNJJJAJVBXDX-UHFFFAOYSA-N 366.870 3.605 0 40 FHAB CSc1ncc(-c2nnsc2C(=O)OC2CCCCCCC2)cn1 223854473 OKQHJYDMKWXPSI-UHFFFAOYSA-N 364.496 3.987 0 40 FHAB Cc1cn2c(=O)cc(COc3cccc(NC(=O)C(C)(C)C)c3)nc2s1 41077405 WCELDEQOHHNWEV-UHFFFAOYSA-N 371.462 3.628 0 40 FHAB COc1cc(C)ccc1Oc1ccc(NC(=O)NCc2ccccn2)cn1 48239916 CJDUQRRWGFUVSD-UHFFFAOYSA-N 364.405 3.908 0 40 FHAB O=C(c1ccc(I)cc1)c1cc(F)c(F)c(F)c1 43210248 UWMVGWJHKWPOGN-UHFFFAOYSA-N 362.088 3.940 0 40 FHAB Nc1nc(CN2CCc3ccccc3C2)nc2sc3c(c12)CCCC3 40017876 XWSNYLMJHPSRRW-UHFFFAOYSA-N 350.491 3.711 0 40 FHAB CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 222724085 WYZVUQNOGLNBEI-RYUDHWBXSA-N 354.298 3.508 0 40 FHAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCc1ccc(C)cc1 222902638 BCZCPJBMRFJFLB-INIZCTEOSA-N 356.441 3.578 0 40 FHAB O=C(Cc1c(F)cccc1Cl)NCC1(c2cccs2)CCOCC1 96120235 OQHZHOGSWLXUCF-UHFFFAOYSA-N 367.873 3.948 0 40 FHAB Cn1nc(-c2ccccc2Cl)cc1C(=O)NCc1nc2ccccc2[nH]1 96117962 WMQMOUGSXUYNOR-UHFFFAOYSA-N 365.824 3.547 0 40 FHAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc(Oc2ccccc2)cc1 238003804 NFPCENXDSOGPOW-FQEVSTJZSA-N 361.397 3.905 0 40 FHAB Cc1ccccc1CC(=O)N1CCC2(CC1)OCC[C@H]2CCOCC1CC1 248172824 XKIAGHQMKGLWRH-OAQYLSRUSA-N 371.521 3.752 0 40 FHAB CCCC1(O)CCN(C(=O)c2[nH]c(-c3cccc(Cl)c3)nc2C)CC1 585083299 OWWKPOZESJBDQA-UHFFFAOYSA-N 361.873 3.806 0 40 FHAB Cc1cccc(Nc2cc([C@@H]3CCCN3C(=O)c3cscn3)ccn2)n1 257221347 DOQRAIKZNRJDSI-INIZCTEOSA-N 365.462 3.962 0 40 FHAB CCCCOc1ccc(C(=O)NC[C@@H](OCCO)c2ccc(C)cc2)cc1 96337787 RISJSMSOGPSWPW-OAQYLSRUSA-N 371.477 3.654 0 40 FHAB CSc1nnc(CCNC(=O)[C@H](c2ccccc2)C2CCCCC2)n1C 5001784 URACWBBRMLTFQA-GOSISDBHSA-N 372.538 3.560 0 40 FHAB O=C(CSc1nnc2c(n1)CCCC2)c1ccc(Br)s1 5059994 FQFZUWVCFKWRIM-UHFFFAOYSA-N 370.297 3.549 0 40 FHAB CN(CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1)C1CCCCC1 5497031 OGUSBZMFNGTZAG-UHFFFAOYSA-N 358.935 3.661 0 40 FHAB COc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1cccc(C)c1 5815335 BVJBCVJQCYGXMF-VIZOYTHASA-N 356.809 3.628 0 40 FHAB COc1ccc(O[C@@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)cc1 11217528 GXOPNALRWUEAKM-LBPRGKRZSA-N 355.419 3.620 0 40 FHAB COc1cc(C)c(CNC(=O)[C@@H]2OCOc3ccccc32)cc1C(C)C 13995922 CHTHFAOTJAQRBH-HXUWFJFHSA-N 355.434 3.851 0 40 FHAB C[C@@H](C(=O)Nc1ccc(Cl)cn1)N(C)CCOc1ccc(Cl)cc1 14124648 GLOJOIKNGYODFE-LBPRGKRZSA-N 368.264 3.726 0 40 FHAB C[C@@H](Cc1ccccc1F)N1CC[C@@]2(CCc3ccccc3C(=O)N2)C1 19456891 RAMNQILXCKTTEZ-AOMKIAJQSA-N 352.453 3.577 0 40 FHAB O=C(Cc1c(F)cccc1Cl)NC[C@@H]1CCCN(c2nccs2)C1 206834342 VVIUTZREMJHKEA-LBPRGKRZSA-N 367.877 3.511 0 40 FHAB COc1ccc(C(=O)n2c(C)c(CO)c3ccccc32)cc1Br 226367816 HWWVNHGUQWZOAB-UHFFFAOYSA-N 374.234 3.902 0 40 FHAB COc1cc(OC)cc([C@@H](C(=O)O)N2CCc3ccccc3C(C)(C)C2)c1 656758347 GHRMPGNBNKLQOS-FQEVSTJZSA-N 369.461 3.665 0 40 FHAB COc1cccc2sc(N3CCN(C(=O)C4CCCCC4)CC3)nc12 4583483 QPCYPMACWQIXSV-UHFFFAOYSA-N 359.495 3.534 0 40 FHAB O=C(NCc1ccccc1)c1ccc2[nH]c(O)c(-c3ccccc3)c(=O)c2c1 5888372 BEPRLVHGCJFJOO-UHFFFAOYSA-N 370.408 3.831 0 40 FHAB CCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCc2ccccc2C1 6667921 JXTWMLNKYDLYAD-UHFFFAOYSA-N 359.491 3.956 0 40 FHAB COc1ccc(N2C[C@@H](CNC(=O)Nc3cccc(Cl)c3)CC2=O)cc1 9039103 MXUJORMDPHQATJ-CYBMUJFWSA-N 373.840 3.523 0 40 FHAB CC(C)c1ccc(OCC(=O)NC[C@H]2CCCN2c2ccccc2)cc1 207988346 RHWHZRZPNWPYNR-HXUWFJFHSA-N 352.478 3.974 0 40 FHAB CCCOc1ccc(-c2csc(NC(=O)c3c(C)cnn3C)n2)cc1 38661780 SNEOWZCGNGRGES-UHFFFAOYSA-N 356.451 3.893 0 40 FHAB O=C(CCc1ccccc1Br)NC[C@H]1COc2ccccc21 521938213 TXKQCSHZWKNKES-AWEZNQCLSA-N 360.251 3.674 0 40 FHAB CCCC(=O)Nc1ccc(S[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 17075581 OLOUKXJOBHKFTB-KRWDZBQOSA-N 368.458 3.849 0 40 FHAB Cc1cccc2nc(C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)cn12 10427510 LYOLGWZXBWJYKL-UHFFFAOYSA-N 368.824 3.675 0 40 FHAB Cc1nc(COc2ccccc2/C=C/C(=O)N2C[C@H](C)O[C@H](C)C2)cs1 40032220 IYEIIZIHKKTLLP-WNJITKBNSA-N 372.490 3.680 0 40 FHAB O=C(Oc1cccc(Cl)c1Cl)C1CCN(c2ncccn2)CC1 40128602 SQAIHQUHVUJLJP-UHFFFAOYSA-N 352.221 3.605 0 40 FHAB COc1cc(C)c([C@@H](C)NC(=O)c2oc3c(c2C)C(=O)CCC3)cc1OC 40134288 ITTCTFFQFQTCMV-CYBMUJFWSA-N 371.433 3.924 0 40 FHAB Cc1nc(NC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)sc1C 40130477 IXUSMYSWRDCJFG-UHFFFAOYSA-N 358.442 3.883 0 40 FHAB O=C(Cn1nnc2ccccc21)N[C@@H](c1ccc(F)cc1)C1CCCC1 40117426 SODQCMPVRHDSFQ-HXUWFJFHSA-N 352.413 3.618 0 40 FHAB CC(=O)Nc1ccc(NC(=O)CCn2cc(C(C)=O)c3ccccc32)cc1 40268400 MTZZFEYPNFOTHA-UHFFFAOYSA-N 363.417 3.831 0 40 FHAB Cc1ccccc1CN1CCN(C(=O)c2cccc3c2O[C@@H](C)[C@@H]3C)CC1 32820189 BLZYUBLYNKUZEK-ROUUACIJSA-N 364.489 3.837 0 40 FHAB COCCNc1nc(Nc2ccccc2)c2cnn(-c3ccccc3)c2n1 9573534 JKVWIEYHCDXMAP-UHFFFAOYSA-N 360.421 3.617 0 40 FHAB C[C@H](OC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)C(N)=O 2629936 VCIWVNCEYVGOQD-NSHDSACASA-N 354.793 3.586 0 40 FHAB CC(=O)N[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)c1cccs1 8750316 HPBKUDPWLIAIIB-ZDUSSCGKSA-N 356.369 3.973 0 40 FHAB Cc1noc(-c2ccccc2C(=O)Nc2cnc(-c3ccccc3)nc2)n1 76040674 ZSCFXZFWCSYINB-UHFFFAOYSA-N 357.373 3.754 0 40 FHAB COc1ccc(Cl)cc1C(=O)CSc1nnnn1C1CCCCC1 1357385 WGSDXPBLMFVOKN-UHFFFAOYSA-N 366.874 3.815 0 40 FHAB C[C@H](OC(=O)[C@H]1COc2ccccc2O1)C(=O)C12CC3CC(CC(C3)C1)C2 32940095 KNKUOCYDGDQSEX-DETZUEHRSA-N 370.445 3.544 0 40 FHAB O=C(Nc1cccc(I)c1)c1ccc[nH]c1=S 32904803 BSFATQITSMWXOW-UHFFFAOYSA-N 356.188 3.601 0 40 FHAB CCOC(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccccc1 4125080 DDQSXGQMHFQTCW-UHFFFAOYSA-N 369.446 3.598 0 40 FHAB Cc1ccc(N2N=C([N+](=O)[O-])[C@@H](c3ccco3)N[C@H]2c2ccco2)cc1 21947021 MDKVOPKYHWFPMG-IAGOWNOFSA-N 352.350 3.621 0 40 FHAB COc1ccc(NC(=O)CCCc2nc(-c3cccc(OC)c3)no2)cc1 4434122 YIXZQBKYZCRONL-UHFFFAOYSA-N 367.405 3.715 0 40 FHAB CCc1cccc2c(C(=O)CSc3nc4nc(C)cc(C)n4n3)c[nH]c12 4523544 KWDAAOAPELRJRT-UHFFFAOYSA-N 365.462 3.760 0 40 FHAB CN(C)CCN1C(=O)CC[C@]2(C)C1=CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 4705797 TZYDTPVLMWSHME-VFEGKJSPSA-N 374.569 3.658 0 40 FHAB in-vitro C[C@H](NC(=O)CCCNC(=O)c1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@H]1C2 103360780 HUZDMXGSUNCYNT-ILXVDBEPSA-N 362.901 3.791 0 40 FHAB CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cn(-c2ccccc2)nc1C 12420738 GIOCLKMWGKYVDW-GOSISDBHSA-N 350.447 3.940 0 40 FHAB CC[C@@H](NC(=O)c1ccc2c(=O)n(CC)c(S)nc2c1)c1cccs1 103469596 DEHHAMMUHMLILV-CYBMUJFWSA-N 373.503 3.648 0 40 FHAB CCOc1cc(CNC[C@H]2CCCO2)cc(Br)c1OCC 8253845 HBLPSXISPJPACF-CYBMUJFWSA-N 358.276 3.515 0 40 FHAB COc1cccc(C(=O)Nc2ccc(C(=O)Nn3c(C)ccc3C)cc2)c1 8475614 KHSKPNQTOUSOOW-UHFFFAOYSA-N 363.417 3.750 0 40 FHAB Cc1nc(-c2ccccc2)sc1C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 101584839 HCYICYRHJOEIIV-OTVXOJSOSA-N 358.463 3.739 0 40 FHAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(-n2cnnn2)cc1 856131 JQKJHNPOENWFMP-UHFFFAOYSA-N 357.373 3.707 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)Cc1csc(-c2ccccn2)n1 23294496 JDRTZQMHTSSQJV-HNNXBMFYSA-N 351.475 3.885 0 40 FHAB CN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc2c(c1)OCCCO2 23230059 RYSYIHUOAFYVDI-GOSISDBHSA-N 373.474 3.546 0 40 FHAB CC1CCN(c2ccc(NC(=O)CSc3nc(C(C)C)n[nH]3)cc2)CC1 12534503 PFSVYBZLTCBFHT-UHFFFAOYSA-N 373.526 3.895 0 40 FHAB CC(=O)N[C@H](CC(=O)NCc1cccc(C(F)(F)F)c1)c1ccccc1 9640531 BYRPUKAPLSWJTH-QGZVFWFLSA-N 364.367 3.589 0 40 FHAB Cc1cc(C(=O)OCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(C)n1C1CC1 105888629 ZDFZWKPMBVHVHA-OWIUFQIYSA-N 358.482 3.538 0 40 FHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc(-c2ccco2)nc2ccccc12 3217590 WOFVMDVPTUPRIK-UHFFFAOYSA-N 370.368 3.917 0 40 FHAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)C1(c2cccc(F)c2)CCCC1 12648305 JYEHMXRIBJZXQO-IYBDPMFKSA-N 361.457 3.970 0 40 FHAB O=C(CN1CCCc2cc(F)c(F)cc21)NCc1ccc(Cl)cc1 26342337 USCSUCOVLGWSPD-UHFFFAOYSA-N 350.796 3.687 0 40 FHAB O=C(NCc1nnc2n1CCC2)c1ccc(-c2ccc(Cl)cc2)s1 48279545 RNPZJCTWCXADAB-UHFFFAOYSA-N 358.854 3.536 0 40 FHAB COc1ccccc1N1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 57463325 NMLHONRYZSYZTG-UHFFFAOYSA-N 367.424 3.812 0 40 FHAB CSc1cccc(NC(=O)Cn2c(-c3ccccc3)nc(C)cc2=O)c1 57526454 JAYAANHUOARVLK-UHFFFAOYSA-N 365.458 3.579 0 40 FHAB COc1cccc(N[C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c1 101277115 GHZOIUIUICEEPN-CQSZACIVSA-N 365.216 3.746 0 40 FHAB Cc1oc(-c2ccccc2)nc1C(=O)NCCCOCc1ccccc1 10102984 GGCDYWUSYWJSJG-UHFFFAOYSA-N 350.418 3.987 0 40 FHAB C[C@@H](C1CC1)N(CC1=NS(=O)(=O)c2ccccc2N1)Cc1ccccc1 58178583 XLWNNPORCSDMEP-HNNXBMFYSA-N 369.490 3.500 0 40 FHAB CC(=O)Nc1ccc(NC(=O)Nc2cccnc2N2CCCC2)cc1C 58161629 UCRKLLONZROEPI-UHFFFAOYSA-N 353.426 3.593 0 40 FHAB COc1ccc(C(=O)Nc2cccc(CN3CCSCC3)c2)cc1F 58157124 DFXHUZNTJCHERP-UHFFFAOYSA-N 360.454 3.635 0 40 FHAB O=C(O)CCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 21985912 XBRKRZUQZJDDQO-NRFANRHFSA-N 372.896 3.912 0 40 FHAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccc2ccccc2c1 10334070 WVUDIYRBXKCUDE-UHFFFAOYSA-N 354.431 3.772 0 40 FHAB O=C(NC[C@H]1CCCO1)c1ccc(CN2CCCc3ccccc32)cc1 20455080 YWWMTORLNQCLCZ-HXUWFJFHSA-N 350.462 3.548 0 40 FHAB CCOC(=O)C1(C(=O)OCC)[C@@H](C(C)C)[C@@]1(CC)C(=O)c1ccccc1 2296782 UPNSWUDTUTYFNY-JXFKEZNVSA-N 360.450 3.664 0 40 FHAB CCOc1ccc([C@H](C)NC(=O)c2ccc(OCC(F)(F)F)nc2)cc1 10611766 AAYZJFDPHJOFIQ-LBPRGKRZSA-N 368.355 3.912 0 40 FHAB CCN(CC)[C@@H](CNC(=O)COc1ccccc1Cl)c1ccccc1 28291894 ZXSDJCGRAGHYLU-SFHVURJKSA-N 360.885 3.918 0 40 FHAB Cc1nc(-c2cccs2)sc1C(=O)O[C@H](C(N)=O)c1ccccc1 10841457 HTXQZIXKLRJZTG-ZDUSSCGKSA-N 358.444 3.563 0 40 FHAB O=C1[C@H](c2ccccc2)N(C[C@H]2CCCO2)C(=S)N1c1ccccc1 28405646 FRQJWVJWTDTDNH-MSOLQXFVSA-N 352.459 3.540 0 40 FHAB CN(Cc1c(F)cccc1Cl)C(=O)CSc1ncc2ccccn12 36633596 RCAQVJDFDDUSKP-UHFFFAOYSA-N 363.845 3.878 0 40 FHAB Cc1cc(Cl)ccc1OCC(=O)NCc1cccc(NC(=O)C2CC2)c1 12864987 LFQLRWHNMRDNPU-UHFFFAOYSA-N 372.852 3.692 0 40 FHAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nc2c3ccccc3ncn2n1 12863284 LZAMMYBQAQSRII-CYBMUJFWSA-N 363.446 3.705 0 40 FHAB CCOc1ccccc1-c1noc(COc2ccc3ccc(=O)oc3c2)n1 11501077 GBRXDLPUINYMBO-UHFFFAOYSA-N 364.357 3.821 0 40 FHAB CC(C)c1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2C)c1 11658502 MGDTYBFWLFBSCZ-UHFFFAOYSA-N 373.503 3.849 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)CCc1c[nH]c2ccccc12 11657453 XQLJCPFIVSOSHU-UHFFFAOYSA-N 351.406 3.706 0 40 FHAB Cc1ccc(C(=O)c2ccc(CN3CCC4(CC3)OCCO4)cc2)cc1C 2514738 YCBQLPPQIKUZLF-UHFFFAOYSA-N 365.473 3.873 0 40 FHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)COc1cc(C)cc(C)c1 28189168 YJMGCQVPVMLDHN-UHFFFAOYSA-N 371.462 3.842 0 40 FHAB Cc1nc(-c2ccc(CCNc3nnnn3-c3ccccc3)cc2)cs1 8727625 DICVWZYFDYCSRE-UHFFFAOYSA-N 362.462 3.749 0 40 FHAB O=C(Oc1ccc(Cl)c(Cl)c1)c1cccc(N2C(=O)CCC2=O)c1 12926285 PGTMGNBSWXPBNO-UHFFFAOYSA-N 364.184 3.866 0 40 FHAB CCc1ccc(-c2nc(CS(=O)(=O)c3nccs3)cs2)cc1 63870874 DOJHWKUZCFDMCJ-UHFFFAOYSA-N 350.490 3.803 0 40 FHAB O=C(c1ccncc1)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1 13572194 SCLWHAQLMLYIIK-UHFFFAOYSA-N 355.397 3.770 0 40 FHAB O=S(=O)(N[C@@H]1CCCOc2ccc(F)cc21)C1=Cc2ccccc2CC1 64959451 IQAJNYAPEAFSJZ-LJQANCHMSA-N 373.449 3.946 0 40 FHAB O=C(c1ccc2nc(C(F)(F)F)[nH]c2c1)N1CCN(c2ccccc2)CC1 13736133 AERJROMEMRFIFD-UHFFFAOYSA-N 374.366 3.544 0 40 FHAB COc1ccc(NC(=O)COC(=O)Cc2ccc(Cl)cc2)cc1Cl 6582464 CPZMQKMIFPMAGU-UHFFFAOYSA-N 368.216 3.726 0 40 FHAB Cc1nc(-c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)cs1 5557461 XPUHWAAOQJNCOE-STQMWFEESA-N 350.509 3.785 0 40 FHAB Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 5602610 BNNKAAJMTNTJHL-UHFFFAOYSA-N 367.780 3.510 0 40 FHAB COc1cccc(CN(C)S(=O)(=O)c2cccc(Cl)c2Cl)c1 7214805 USENBRQPMVYMIK-UHFFFAOYSA-N 360.262 3.823 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c(Cl)c1 7403981 PGAOJQGRXJTIEN-UHFFFAOYSA-N 353.827 3.611 0 40 FHAB O=C(COC(=O)C1(c2ccccc2F)CCCC1)NCc1ccc(F)cc1 7562428 BIYKRNIQORLRIU-UHFFFAOYSA-N 373.399 3.636 0 40 FHAB CCn1c(=N)n(C[C@H](O)c2ccc(Cl)c(Cl)c2)c2ccccc21 19708050 HEDISQHZLJWIDR-INIZCTEOSA-N 350.249 3.983 0 40 FHAB COCCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@@H]1c1ccc(Cl)cc1 15921087 JUYFAQXHVIHPGP-SFHVURJKSA-N 371.824 3.905 0 40 FHAB CC[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1cc(C)on1 9314702 MLKHWYWHTBZYHY-GFCCVEGCSA-N 356.300 3.576 0 40 FHAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccc2c(c1)OC1(CCCC1)O2 8264339 PMIMDJXOVFOFII-KRWDZBQOSA-N 365.385 3.968 0 40 FHAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(O)cc1O 9691574 JEYORLSZLIGROG-UHFFFAOYSA-N 362.794 3.776 0 40 FHAB COc1cccc(CN(C)C(=O)Nc2nc3ccccc3s2)c1OC 9711547 RXXNQYXAPBBCJK-UHFFFAOYSA-N 357.435 3.977 0 40 FHAB Cc1cc(I)cnc1NC(=O)/C=C/c1cccs1 72305129 HOBYVNKFBGIOIQ-SNAWJCMRSA-N 370.215 3.708 0 40 FHAB O=C(Nc1ccn(Cc2ccccn2)n1)[C@H]1CCC[C@@H](C(F)(F)F)C1 84610182 GSBPHTVINRSSQR-QWHCGFSZSA-N 352.360 3.634 0 40 FHAB CCCNc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 95418977 JAXLCYPFWNEMPQ-AWEZNQCLSA-N 363.889 3.749 0 40 FHAB O=C(NCc1csc(-c2ccccc2)n1)c1ccc2c(c1)OCCO2 20501280 FOYRIYJPIKFMDA-UHFFFAOYSA-N 352.415 3.511 0 40 FHAB c1cc(CN2CCC[C@@H]2c2cccc3c2OCCO3)cc(-n2cccn2)c1 95455415 PCXXQYORDNEAJO-HXUWFJFHSA-N 361.445 3.981 0 40 FHAB C[C@H]1C[C@H](NC(=O)COc2ccc(Cl)cc2)CCN1Cc1ccccc1 95408970 KCGKQJKCNOZBBR-QFBILLFUSA-N 372.896 3.888 0 40 FHAB C[C@@H](Cc1cncc2ccccc12)C(=O)NC1(C(=O)Nc2ccccc2)CC1 554741411 ATQRXFCIKAKMQI-INIZCTEOSA-N 373.456 3.701 0 40 FHAB C[C@](O)(CNC(=O)CCCc1c[nH]c2ccccc12)c1ccc(F)cc1 89230151 CDCSVBVEXCLIEB-NRFANRHFSA-N 354.425 3.654 0 40 FHAB Cc1ccn2cc(CNC(=O)c3ccccc3Oc3ccccc3)nc2n1 89700961 SCMRQASBUMFDPG-UHFFFAOYSA-N 358.401 3.760 0 40 FHAB CC(C)NC(=O)N1C[C@@H](C2CN(C(=O)c3ccsc3)C2)c2ccccc21 306130102 IWFHQOGQUBROTI-KRWDZBQOSA-N 369.490 3.542 0 40 FHAB O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 22920202 AMDORTJEUIHAAZ-ZNMIVQPWSA-N 367.415 3.575 0 40 FHAB Cc1ccccc1NC(=O)N1CCC[C@@H](c2nnc(C(F)(F)F)o2)C1 75165259 NGQFYSUSZVOOEK-LLVKDONJSA-N 354.332 3.808 0 40 FHAB CC[C@@H](NC(=O)N[C@H](Cc1ccccc1)CN(C)C)c1ccc(OC)cc1 71999558 QMSWBSSPARRCIM-TZIWHRDSSA-N 369.509 3.618 0 40 FHAB Cc1cccc(Oc2cncc([C@H]3CCCN(C(=O)c4ccncc4)C3)n2)c1 72362130 VTGALIPQGMVPEL-SFHVURJKSA-N 374.444 3.992 0 40 FHAB COc1ccc(C(=O)NCCc2nc(-c3ccccn3)cs2)cc1Cl 559637933 JEBQMTMKHCCMGK-UHFFFAOYSA-N 373.865 3.840 0 40 FHAB O=C(NCc1ccccc1Cl)C(O)(c1ccccc1)c1ccccc1 33000755 USHAXOBVXJKKHW-UHFFFAOYSA-N 351.833 3.892 0 40 FHAB Cn1ncc2c1CN(C(=O)c1cccn1-c1c(Cl)cccc1Cl)C2 1569379353 YQLGZPZYNNFRNF-UHFFFAOYSA-N 361.232 3.674 0 40 FHAB CNC(=O)COc1ccc(/C=C/c2ccc3cc(C)ccc3n2)cc1OC 40139759 ZCIRTIPNSBUXIS-VMPITWQZSA-N 362.429 3.847 0 40 FHAB Cc1ccc(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)cc1 225727209 LBEWNLPHEKOONA-UHFFFAOYSA-N 371.234 3.711 0 40 FHAB Cc1cc(C)cc(OCCNC(=O)COc2cccc(C(F)(F)F)c2)c1 224114751 APBUUTOHEOYGHB-UHFFFAOYSA-N 367.367 3.896 0 40 FHAB Cc1noc(C)c1CCC(=O)N1CCC(COCc2ccc(F)cc2)CC1 75156560 VZJDMUAIYIIEPH-UHFFFAOYSA-N 374.456 3.819 0 40 FHAB COC1(C(=O)Nc2ccc(OCCCN3CCCCC3)cc2)CCCC1 225626325 ZXTNDHBDJAHHLX-UHFFFAOYSA-N 360.498 3.839 0 40 FHAB Cc1cccc(NC(=O)c2cc3cc(N(C)S(C)(=O)=O)ccc3s2)c1 46058003 YYLPLMHCVFAGEG-UHFFFAOYSA-N 374.487 3.858 0 40 FHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 225004743 MTXCBDONXWRDDX-IBGZPJMESA-N 374.868 3.973 0 40 FHAB Cc1cccc(CN2CC[C@]3(CCCN(Cc4ccc(C)s4)C3)C2=O)n1 96048794 XZYSRVGFOWHWTN-NRFANRHFSA-N 369.534 3.775 0 40 FHAB Cc1nc(-c2ccccc2)nc2c1COC[C@]21CCN(Cc2cccnc2)C1 96244652 BXHGOTKHDZBRSN-HSZRJFAPSA-N 372.472 3.521 0 40 FHAB Cc1cc(-c2nn3c(-c4c(Cl)cnn4C)nnc3s2)sc1C 95475918 SEXHVAFENOGFOY-UHFFFAOYSA-N 350.860 3.585 0 40 FHAB CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N(C)c1ccc2nc(C)sc2c1 585139750 JLVZYNDLXOJCAI-RHSMWYFYSA-N 370.478 3.562 0 40 FHAB O=C1C[C@H](c2cccs2)[C@H]2[C@@H](O)CCC[C@H]2N1Cc1cccc(F)c1 257312052 UMGMUXVDZWLQAH-PDOICOKGSA-N 359.466 3.933 0 40 FHAB O=C(NCCc1c[nH]c2cc(Cl)ccc12)c1ccc(NC2CC2)nc1 621046902 JOWYAYKNUDCENH-UHFFFAOYSA-N 354.841 3.763 0 40 FHAB O=C(NCCc1ccn(-c2ccccc2)n1)c1cc(F)c2ncccc2c1 1125635307 YKXJVESKHBUKPB-UHFFFAOYSA-N 360.392 3.532 0 40 FHAB Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N1CCOc2cccc(F)c2C1 669877688 KUUWYEPQQQTPPJ-CYBMUJFWSA-N 374.460 3.751 0 40 FHAB O=C(C1c2ccccc2Oc2ccccc21)N1CC(OCC(F)(F)F)C1 390826920 RKIHHHWFECXHSM-UHFFFAOYSA-N 363.335 3.714 0 40 FHAB O=C(NCc1ccccc1)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 1083103375 PHPWGEMSZMRUSS-GXRSIYKFSA-N 365.521 3.791 0 40 FHAB COc1ccccc1C1=NN(C(=O)CCCC(=O)O)[C@H](c2ccccc2)C1 1554503173 MQHHJCHWZPCBCA-SFHVURJKSA-N 366.417 3.628 0 40 FHAB Cc1ccc(-c2csc(NC(=O)CNC(=O)c3cccs3)n2)c(C)c1 11358111 UKPOXSBTYXWMAT-UHFFFAOYSA-N 371.487 3.857 0 40 FHAB CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1cccc(F)c1 12752783 BVSDWTBPBICHKO-QGZVFWFLSA-N 361.392 3.571 0 40 FHAB COc1cccc(Cn2nccc2NC(=O)c2cc(C)cc(C)c2)c1OC 12871112 ISNVVQHZVDYEEE-UHFFFAOYSA-N 365.433 3.818 0 40 FHAB O=C1C[C@@H](C(=O)N2CCCc3ccccc32)CN1c1ccccc1Cl 12890797 HGEXKWFHRMXMAV-OAHLLOKOSA-N 354.837 3.672 0 40 FHAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc(C)cc(C)c2)cc1 16740377 GLVYAPJUYSPOMQ-HNNXBMFYSA-N 360.479 3.633 0 40 FHAB Cc1ncsc1-c1nnc(C2CCN(C(=O)c3cccs3)CC2)o1 19563170 KHSOIQWIBSYNNL-UHFFFAOYSA-N 360.464 3.583 0 40 FHAB Cn1nccc1CN1CCC(c2ccc(Cc3ccccc3F)cn2)CC1 19690538 RCKTYTYFYIFXAA-UHFFFAOYSA-N 364.468 3.925 0 40 FHAB O=C1S/C(=C/c2ccco2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 205662826 ZUXDPUASUNWOSH-LHHJGKSTSA-N 363.778 3.898 0 40 FHAB Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)COc1c(C)nn(C)c1C 153007860 WNZMNZNMKXNQTQ-CQSZACIVSA-N 364.515 3.524 0 40 FHAB CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc(C)c2C)cc1 7255295 SCPXUKWDBRKZQA-JLHYYAGUSA-N 353.418 3.897 0 40 FHAB O=C(NCCc1nc(-c2ccc(Cl)cc2)n[nH]1)c1cc2ccccc2o1 511192608 LCFMVMFZBZYLKX-UHFFFAOYSA-N 366.808 3.844 0 40 FHAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cnc(Cl)c(Cl)c1 6510534 RXCHGWSLEONFPJ-CQSZACIVSA-N 368.264 3.938 0 40 FHAB FC(F)(F)c1ccnc(OC2CCN(c3ccncc3Cl)CC2)n1 1888844404 UBUAYWWYCQPSBS-UHFFFAOYSA-N 358.751 3.592 0 40 FHAB O=C1CO[C@@]2(CCCN(Cc3ccccc3)CC2)CN1c1cccc(F)c1 2037841202 ZYIWRSSMUQYGJI-JOCHJYFZSA-N 368.452 3.614 0 40 FHAB CCOc1cn(C)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1=O 23135586 YLLUHFYAKJNVKZ-UHFFFAOYSA-N 364.401 3.829 0 40 FHAB COC(=O)CCCC(=O)c1ccc(Br)cc1OC(F)(F)F 575362576 AOOYHVSDZCTHED-UHFFFAOYSA-N 369.133 3.874 0 40 FHAB O=C(Cc1cccc(C(F)(F)F)c1)NCCn1cc(-c2ccco2)cn1 575614744 DWAZYVYHDYGUQF-UHFFFAOYSA-N 363.339 3.521 0 40 FHAB C[C@@H](NC(=O)NCc1ccc(Cn2ccnc2)cc1)c1ccc(F)cc1 40071253 NWJBVKULOJSMLR-OAHLLOKOSA-N 352.413 3.631 0 40 FHAB Cn1ccnc1[C@H](NC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1F 40059005 HOXASFDOAUNFRJ-YLJYHZDGSA-N 363.436 3.885 0 40 FHAB CC(C)CC(=O)Nc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F 30451811 NJHTYLPWQCPNPU-UHFFFAOYSA-N 358.369 3.791 0 40 FHAB C[C@@H](SCc1ccccc1)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C 40143449 ANSLFBPJQQBUIA-BEFAXECRSA-N 360.498 3.867 0 40 FHAB Fc1ccc(-c2ccc(CNCc3ccnc(N4CCOCC4)c3)o2)cc1 30900430 CAHLWKPHOWRZDK-UHFFFAOYSA-N 367.424 3.607 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1C 21321432 ZZRANOKHGZCKNI-UHFFFAOYSA-N 373.884 3.661 0 40 FHAB COC(=O)c1cccn1C1CCN(Cc2ccc(F)cc2Cl)CC1 60356746 IEBQJHFSFQFGLQ-UHFFFAOYSA-N 350.821 3.904 0 40 FHAB COc1ccccc1-n1cnnc1SCC(=O)c1ccc(Cl)cc1 2628747 PNVYSBJPQRCRRN-UHFFFAOYSA-N 359.838 3.904 0 40 FHAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CCCC(=O)O 976786 QKNHDCQPVUCGMO-UHFFFAOYSA-N 367.448 3.847 0 40 FHAB O=C([C@@H]1COc2ccccc2O1)N1CCC[C@H]1c1nc2ccccc2s1 32960772 IRFHVSAFAOHSOA-YOEHRIQHSA-N 366.442 3.800 0 40 FHAB COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1cccc2cc[nH]c12 79830083 NPAVIHPJDOPHEL-SFHVURJKSA-N 364.445 3.998 0 40 FHAB Cc1cc(C(=O)NCCc2cc(F)cc3c2OCOC3)c(C)n1C(C)C 52900353 KALKBSFZPKASTF-UHFFFAOYSA-N 360.429 3.664 0 40 FHAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1nc2ccc(C)cc2s1 6815654 BKBGVWMGDDQFAW-INIZCTEOSA-N 356.403 3.903 0 40 FHAB Cc1cc(C(=O)N2CCC[C@@H]2c2cccs2)ccc1N1CCNC1=O 53119945 LEXKZSKOSYQERF-MRXNPFEDSA-N 355.463 3.563 0 40 FHAB Cc1c(S(=O)(=O)c2ccc(F)cc2)c(N)n(CCc2ccccc2)c1C 12372590 BDHYDCHEINOOAF-UHFFFAOYSA-N 372.465 3.902 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)NCC2(c3ccccc3)CC2)c1 22427376 YGTAVJQAPNFTKF-OAHLLOKOSA-N 354.450 3.796 0 40 FHAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cncc(Br)c1 23175141 XERWWKYHWRDSEV-INIZCTEOSA-N 362.271 3.940 0 40 FHAB O=C(NCC12CC3CC(CC(C3)C1)C2)[C@H]1CCCN1C(=O)c1cccs1 9054402 GOPMOORHSYUCLD-JRQWYPPZSA-N 372.534 3.685 0 40 FHAB CC(C)(C)c1nnc(SCC(=O)N2CCC[C@@H]2c2cccs2)o1 42569235 TYLQKAOJMXIPSN-LLVKDONJSA-N 351.497 3.884 0 40 FHAB COc1nc2cc(C)ccc2cc1CN(C)Cc1n[nH]c2c1CCCC2 57811449 YIGNJVDBXFZTBQ-UHFFFAOYSA-N 350.466 3.786 0 40 FHAB O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)CCc1c[nH]c2ccccc12 24986253 OMBWFZVLZVLEDN-HXUWFJFHSA-N 361.445 3.730 0 40 FHAB CC(=O)Nc1ccc(CNC(=O)Cc2csc(-c3ccsc3)n2)cc1 24928860 AHRREBQBEVPBFM-UHFFFAOYSA-N 371.487 3.689 0 40 FHAB CNC(=O)c1ccc(C)c(NC(=O)c2cc(C)n(CC(F)(F)F)c2C)c1 24922668 HPWKZFWIKZPZCB-UHFFFAOYSA-N 367.371 3.588 0 40 FHAB O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1n[nH]c2ccccc12 54314141 ZIOGULLIEWOOJS-UHFFFAOYSA-N 369.852 3.695 0 40 FHAB CS(=O)(=O)Nc1cc(NC(=O)c2occc2-c2ccccc2)ccc1F 25670849 ZZUXROXLKISZOT-UHFFFAOYSA-N 374.393 3.710 0 40 FHAB Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 26025349 YLDCOZYJUNPRRI-CQSZACIVSA-N 352.356 3.993 0 40 FHAB CCCOC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1807963 TVCVJIREDPIIJB-UHFFFAOYSA-N 373.405 3.532 0 40 FHAB O=C(CSCC(=O)Nc1ccc(Cl)cc1)Nc1ccc(F)cc1 1892640 NSESNWNAAKADAP-UHFFFAOYSA-N 352.818 3.790 0 40 FHAB COc1ccccc1-c1nn(CN2CCc3sccc3C2)c(=S)n1C 12774759 HUJSEBYAKTZQHY-UHFFFAOYSA-N 372.519 3.704 0 40 FHAB CC(C)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1 12767263 WQKRHAPKYAFONM-UHFFFAOYSA-N 358.463 3.503 0 40 FHAB CCCNC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc12 2263565 PLKONQCNOVFVBR-UHFFFAOYSA-N 359.433 3.604 0 40 FHAB O=C1O[C@@H](Nc2ccc(I)cc2)c2ccccc21 2203000 OTPNRYBYWTXOHT-CYBMUJFWSA-N 351.143 3.572 0 40 FHAB Cc1cc(N[C@@H](C)C(=O)Nc2cccc(F)c2)ccc1N1CCCC1=O 10750043 CWEZDWQGCQBLNC-AWEZNQCLSA-N 355.413 3.700 0 40 FHAB COc1ccc(CNC(=O)c2ccc(C3SCCCS3)cc2)cn1 10991291 XZGRQQRFVYMPPQ-UHFFFAOYSA-N 360.504 3.889 0 40 FHAB O=C(Nc1cnn(Cc2ccccc2F)c1)c1ccc(Br)o1 28220398 HOGFQTUXBFQZQN-UHFFFAOYSA-N 364.174 3.678 0 40 FHAB Cc1cc(C)n(-c2ccc(SCc3nc(-c4ccccc4)no3)nn2)n1 11140540 UNKMDGZBGFALFY-UHFFFAOYSA-N 364.434 3.621 0 40 FHAB COC(=O)c1ccc2c(=O)n(-c3ccccc3)c(SCC(C)C)nc2c1 3454692 BQIVWDAXNBDJEL-UHFFFAOYSA-N 368.458 3.920 0 40 FHAB CC(C)N(C(=O)CSc1nnc(NCc2ccccc2)s1)C(C)C 3587920 VEJZQIRRWQKOIE-UHFFFAOYSA-N 364.540 3.888 0 40 FHAB COc1ccc(OC)c(NS(=O)(=O)c2cc(C(C)C)ccc2OC)c1 408700878 NLZJLMVFKSLGPJ-UHFFFAOYSA-N 365.451 3.637 0 40 FHAB Cc1csc(NC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)n1 13005652 CNEWEXFJWXOAHX-UHFFFAOYSA-N 374.491 3.510 0 40 FHAB CCOC(=O)c1sc2cccc(F)c2c1CN1C[C@H](C)O[C@H](C)C1 13117206 VYRSHMJMLGCLMY-TXEJJXNPSA-N 351.443 3.826 0 40 FHAB CC(C)N1C(=O)[C@@](O)(CC(=O)c2cccc(-n3cccc3)c2)c2ccccc21 4122640 IUTTUNCDTWTGPZ-HSZRJFAPSA-N 374.440 3.693 0 40 FHAB C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@]4(C)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118914962 UUNZVNLAFCAUHR-WMBRGFFSSA-N 350.543 3.892 0 40 FHAB Fc1ccc(-c2[nH]ncc2-c2nnnn2-c2ccc(Cl)cc2)cc1F 4285000 FVLAPWXZEOMTDD-UHFFFAOYSA-N 358.739 3.651 0 40 FHAB COc1cc(CNCCC2=CCCCC2)ccc1OCC(=O)NC(C)(C)C 13723701 PZXZFIRWZSHDLV-UHFFFAOYSA-N 374.525 3.969 0 40 FHAB C[C@H](Sc1nncn1-c1ccccc1F)C(=O)NCCC1=CCCCC1 6129249 NWTJJKCHKLETTI-AWEZNQCLSA-N 374.485 3.894 0 40 FHAB CCNC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 6313866 BNBNDGBSKHCAJY-UHFFFAOYSA-N 359.882 3.966 0 40 FHAB Cc1c(Cl)cccc1NC(=S)N1CCN(c2ccccc2O)CC1 6399479 OOKXHMYRNABDFK-UHFFFAOYSA-N 361.898 3.873 0 40 FHAB CCCn1nc(C(=O)N2CCC[C@H]2c2cccs2)c2ccccc2c1=O 14086351 CPRQZVGPGYEFSP-INIZCTEOSA-N 367.474 3.845 0 40 FHAB O=c1[nH]nc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)[nH]1 92869682 YVGRDQYGGOHKJE-UHFFFAOYSA-N 350.403 3.712 0 40 FHAB CCC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(C)c1 408607576 NGBGFLXRYMDQEL-OAHLLOKOSA-N 360.479 3.714 0 40 FHAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(F)cc(N2CCCC2)c1 65626714 YTQQRHWMQPSWEE-BFUOFWGJSA-N 356.397 3.593 0 40 FHAB CC(C)(NCCc1c[nH]c2ccccc12)c1nnnn1C1CCCCC1 4650913 QSOYZOCGBKQPEP-UHFFFAOYSA-N 352.486 3.727 0 40 FHAB CCN(CC(=O)NCc1cccs1)C(=O)Cc1coc2cc(C)ccc12 6606796 OHXRUUUJOPWXDT-UHFFFAOYSA-N 370.474 3.510 0 40 FHAB CCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(OC)c(OC)c2OC)cc1 6708994 RJVZTPIXRHTGFZ-CYBMUJFWSA-N 372.417 3.703 0 40 FHAB O=S(=O)(c1ccc(Oc2cccc3ccccc23)nc1)N1CCCC1 5935864 GDAZWLGKHCLXLZ-UHFFFAOYSA-N 354.431 3.812 0 40 FHAB CC(=O)c1ccccc1NC(=O)[C@H](C)Sc1nc2ccccc2n1C 7093818 DGNQDAQLWYOCOI-ZDUSSCGKSA-N 353.447 3.895 0 40 FHAB COc1ccc(C)cc1CN1C(=O)N[C@](C)(c2ccccc2Cl)C1=O 7827316 YVVGMGOGFYCUHD-LJQANCHMSA-N 358.825 3.624 0 40 FHAB COc1ccc(NC(=O)CCCc2nc(-c3ccccc3)no2)c(OC)c1 16215550 CCDALZJBHVMMKI-UHFFFAOYSA-N 367.405 3.715 0 40 FHAB CN1CCCN(C(=O)/C=C/c2cccs2)c2nc3ccccc3nc21 8061649 YQUUEIVOHZVXHW-MDZDMXLPSA-N 350.447 3.578 0 40 FHAB C[C@H](NC(=O)CNCCOc1ccccc1F)c1ccc2ccccc2c1 16695440 JBLMWGNQJJQDNU-INIZCTEOSA-N 366.436 3.825 0 40 FHAB Cc1ccc([C@@H](NC(=O)CCNC(=O)c2ccco2)c2ccccc2)cc1 8342783 LYJJAUUXJSFYNO-NRFANRHFSA-N 362.429 3.614 0 40 FHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)COc1ccc(Cl)cc1 8349366 ACPOXBNKTFELTD-CQSZACIVSA-N 370.840 3.519 0 40 FHAB O=C(NCCCCCc1nc2ccccc2[nH]1)c1n[nH]c2c1CCCCC2 96223372 HXOPMKWSAFYMQN-UHFFFAOYSA-N 365.481 3.698 0 40 FHAB C[C@@H](OC(=O)c1ccc(O)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 8489803 AKYYEHVUNUTCLI-GFCCVEGCSA-N 368.414 3.700 0 40 FHAB CCC[C@@H]1[C@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@H]2ON1c1ccccc1 18038245 QSKYXFFJXIDPSS-GGPKGHCWSA-N 364.445 3.782 0 40 FHAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(C(F)(F)F)cc1 9709598 DJMALWCNAUVDNM-UHFFFAOYSA-N 373.338 3.946 0 40 FHAB O=C(OC[C@@H]1CCCO1)c1ccc(Br)cc1C(F)(F)F 95989071 ZCDHCNSEKZTEJY-VIFPVBQESA-N 353.134 3.804 0 40 FHAB O=C(COc1ccc(Cl)c2ccccc12)Nc1ccc2[nH]c(=O)[nH]c2c1 9952514 DPRMOFXTOBHFIA-UHFFFAOYSA-N 367.792 3.680 0 40 FHAB CN1C(=O)N(Cc2ccc(Br)cc2)C(=O)C12CCCCC2 9953448 HVQHDZGIWFTPGW-UHFFFAOYSA-N 351.244 3.546 0 40 FHAB CC(C)[C@@H](Sc1nncn1C(C)C)C(=O)N[C@H]1CCOc2ccccc21 89791036 CLXVRVLUVPDLPD-DOTOQJQBSA-N 374.510 3.616 0 40 FHAB COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OC(C)=O 408812102 NRXANYHYLFOGTO-BOPFTXTBSA-N 369.398 3.861 0 40 FHAB COC(=O)c1cc(NC(=O)[C@H](C)Oc2cccc(OC)c2)ccc1Cl 30754987 RTYHCIJPFLVERW-NSHDSACASA-N 363.797 3.541 0 40 FHAB c1ccc([C@@H]2N(Cc3c[nH]nc3-c3cccnc3)CC23CCOCC3)cc1 514660311 SQVXFXZWMHCMSV-NRFANRHFSA-N 360.461 3.825 0 40 FHAB Cc1ccccc1NC(=O)CSCc1cc(=O)c2cc(F)ccc2[nH]1 33063856 CULPHMORIJWIHP-UHFFFAOYSA-N 356.422 3.848 0 40 FHAB CC(C)n1c(SCC(=O)Nc2cccnc2)nnc1-c1ccccc1 72191579 GZFRLRGOLBCIBI-UHFFFAOYSA-N 353.451 3.652 0 40 FHAB O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1c(C(F)F)nc2cnccn12 1531816239 CAALXOHIZDLSFC-GFCCVEGCSA-N 362.767 3.738 0 40 FHAB Clc1ccccc1Cn1nnc2c(NCc3cccs3)ncnc21 35314883 GTFIQBVRKRYARS-UHFFFAOYSA-N 356.842 3.597 0 40 FHAB COc1ccc(CN2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)cc1 33730259 JEDSDAUWOCEWAN-QGZVFWFLSA-N 352.478 3.785 0 40 FHAB COc1ccc2ccccc2c1CNC(=O)C(=O)Nc1cccc2[nH]ccc12 36357150 WJEVDRCYSSVTTK-UHFFFAOYSA-N 373.412 3.585 0 40 FHAB O=C(Cc1cccnc1)N1CCC[C@@H]1c1cccc(Cc2ccccc2)n1 72357901 OWLITPZQORWJNQ-JOCHJYFZSA-N 357.457 3.974 0 40 FHAB CCc1nccn1-c1cncc([C@@H]2CCCN2Cc2ccc(OC)cc2)n1 72378689 MIQRYWJIZQTPTN-IBGZPJMESA-N 363.465 3.570 0 40 FHAB Cc1cccc(-c2cncc([C@H]3CCCN(C(=O)c4cccnc4)C3)n2)c1 72359492 LKZGYJSPUCWXLA-IBGZPJMESA-N 358.445 3.867 0 40 FHAB Cc1ccc(Oc2nccnc2C2CCN(C(=O)c3ccccn3)CC2)cc1 72362264 COUMBSOBUZKGND-UHFFFAOYSA-N 374.444 3.992 0 40 FHAB COc1ccc(-c2nnsc2C(=O)Nc2ccc3cc[nH]c3c2)cc1 36360546 SHSWJAUUMATJCU-UHFFFAOYSA-N 350.403 3.947 0 40 FHAB Cc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1C 32747873 NWVKDSXSNYZVSI-INIZCTEOSA-N 367.445 3.915 0 40 FHAB Cc1cc(C(=O)Nc2c3c(nn2-c2nc4ccccc4s2)CCC3)no1 35596704 LZXIOFGLTWMSPE-UHFFFAOYSA-N 365.418 3.519 0 40 FHAB COc1ccccc1CN1CCCC[C@@H]1c1nnc(-c2ccccn2)o1 72344718 OSPNYESELTVMMK-QGZVFWFLSA-N 350.422 3.867 0 40 FHAB CCCNC(=O)c1cccc(CNCc2csc(Br)c2)c1 47794093 YAYLZTKELOFAHC-UHFFFAOYSA-N 367.312 3.940 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 223762040 LFNMDNRBSNFOEP-MRXNPFEDSA-N 372.896 3.744 0 40 FHAB COc1ccc(C(=O)NCc2nc(-c3ccccc3C)no2)cc1Cl 225197268 SIMRKRZIMIUTSL-UHFFFAOYSA-N 357.797 3.637 0 40 FHAB O=S(=O)(c1ccccc1)N1N=C(c2ccco2)C[C@@H]1c1ccccc1 89827846 JEBAZKBUMDGYJI-GOSISDBHSA-N 352.415 3.820 0 40 FHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccco1 223203633 HPKFKZARJFWACI-HNNXBMFYSA-N 359.491 3.975 0 40 FHAB Cc1ccc(C)c(OCCNC(=O)COc2ccc3c(c2)CCCC3)c1 224045361 KXXNJWJZJPTRHY-UHFFFAOYSA-N 353.462 3.756 0 40 FHAB CCc1ccc(O[C@H](CC)C(=O)N2CCN(c3ccccc3F)CC2)cc1 222878486 ZGMBSAVJEHPEOC-OAQYLSRUSA-N 370.468 3.894 0 40 FHAB COc1ccc(OC[C@H](C)NC(=S)Nc2c(F)cccc2F)cc1 225266617 ULLJNXZFISHPTD-NSHDSACASA-N 352.406 3.727 0 40 FHAB C[C@@H]1C[C@H](Nc2ncnc3c2ncn3C2CC2)CCN1Cc1ccccc1 576452563 LOGZMGVEISSRBK-NVXWUHKLSA-N 362.481 3.626 0 40 FHAB CCN(Cc1c(Cl)cccc1C(=O)O)C[C@H]1COc2ccccc2O1 577069396 ITJFRIPYROWCTO-ZDUSSCGKSA-N 361.825 3.700 0 40 FHAB O=C(CC1CCCCC1)N1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 98211664 TYLYIKRQJRIDSG-UHFFFAOYSA-N 352.482 3.696 0 40 FHAB CNc1nc([C@@H]2CCCN2C(=O)c2cnc3ccccc3c2)cn2cccc12 257290172 QBWLTFGPZSHKFG-IBGZPJMESA-N 371.444 3.902 0 40 FHAB Cc1noc(C)c1-c1ccc([C@@H]2CCCN2C(=O)CC2CCOCC2)nc1 257334152 YESPMWGRACIJRZ-IBGZPJMESA-N 369.465 3.834 0 40 FHAB CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1 260927147 YJHIDEKPCHAVET-NZSAHSFTSA-N 370.522 3.616 0 40 FHAB O=C(N[C@@H]1CCCc2sccc21)N1CCC[C@@](O)(C(F)(F)F)CC1 288207610 ONEGSSXFYRVBEZ-DOMZBBRYSA-N 362.417 3.614 0 40 FHAB Cc1ccccc1-c1nc(C)c(CNS(=O)(=O)c2ccccc2)s1 96024556 ZGBOFIHWXNRMGK-UHFFFAOYSA-N 358.488 3.905 0 40 FHAB O=C(NCc1cccc2ccccc12)N1CCC(Oc2ccccn2)CC1 96024716 USGMEFLCIUNDRI-UHFFFAOYSA-N 361.445 3.988 0 40 FHAB Cc1cccnc1CN1CCn2c(CCOCC3CCC3)cnc2[C@@H]1C 585098535 URXRRXLPAORPDV-KRWDZBQOSA-N 354.498 3.523 0 40 FHAB O=C(c1ccc(NCc2nc(Cc3ccccc3)no2)cc1)N1CCCC1 55831655 SWBWDODYWATGHE-UHFFFAOYSA-N 362.433 3.509 0 40 FHAB CCOc1ccc(Cl)cc1/C=C1/NC(=O)N(Cc2ccccc2F)C1=O 1134196 CEFGYZLUVAPDAS-MHWRWJLKSA-N 374.799 3.971 0 40 FHAB CC(C)OP(=O)(NNP(=O)(OC(C)C)OC(C)C)OC(C)C 5573025 QAWVDSRJUFUDRE-UHFFFAOYSA-N 360.328 3.997 0 40 FHAB C[C@H](OC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1 5668364 VZOQCZVBKZLYIC-LBPRGKRZSA-N 351.324 3.818 0 40 FHAB CCc1noc(CN2CC3(CCCC3)c3cc4c(cc3[C@H]2C)OCCO4)n1 12913231 CNBKNWQDEONUEX-CQSZACIVSA-N 369.465 3.792 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(F)cc1 14398234 KKEZGXWOOLHDRA-AWEZNQCLSA-N 358.413 3.762 0 40 FHAB COc1ccccc1NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 14877840 TYTNZQSBSLCXQG-UHFFFAOYSA-N 356.422 3.972 0 40 FHAB CN(Cc1ccc(C(F)(F)F)cc1)Cn1nc(-c2cccs2)oc1=O 16313139 FWZUYOSDRWNMOW-UHFFFAOYSA-N 369.368 3.673 0 40 FHAB Cc1cc(-c2cnc(NCc3ccncc3)nc2-c2cccnc2C)on1 19124057 SSUNERGQXZXHKI-UHFFFAOYSA-N 358.405 3.818 0 40 FHAB COc1nc2ccccc2nc1CCC(=O)N1CC[C@@H](c2ccccc2)C1 19714189 OVGLIJYBFNXRSC-QGZVFWFLSA-N 361.445 3.587 0 40 FHAB Cc1cc(C)n([C@H](C)C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3C)n1 19716890 SKSMYWOYIXABHE-LLVKDONJSA-N 365.359 3.605 0 40 FHAB CCOc1ccc(/C=C/C(=O)OCC(=O)N[C@H](C)c2ccccc2)cc1 7255448 QPHREROVWVTTRE-WSYSLRRZSA-N 353.418 3.519 0 40 FHAB Cc1ccc(NC(=O)CN(C)C(=O)Cc2ccc(Cl)c(Cl)c2)cc1 3555516 DXWGMCMJYVTHHK-UHFFFAOYSA-N 365.260 3.941 0 40 FHAB O=C1CC[C@@]2(CCCN(Cc3nccs3)CC2)N1Cc1ccccc1 1565541764 UZXMCYTXQZFDRG-HXUWFJFHSA-N 355.507 3.690 0 40 FHAB COc1ccc(N2C[C@@](O)(c3ccc(C)cc3C)[N+]3=C2CCCC3)cc1 2966353 CRTQJLRIWSHTLY-JOCHJYFZSA-N 351.470 3.572 0 40 FHAB COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(C)cc(C)c2)cc1 8843859 ZTAMAZUQBOYNGB-IBGZPJMESA-N 365.433 3.579 0 40 FHAB COc1cccc2cc(-c3nnc(NC(=O)Cc4ccc(F)cc4)o3)oc12 9167625 IWSLXAGHNSRJNW-UHFFFAOYSA-N 367.336 3.812 0 40 FHAB Cn1ccc(-c2nnc(NC(=O)CC(c3ccccc3)c3ccccc3)o2)n1 38499449 WYALPUMIPVDZOD-UHFFFAOYSA-N 373.416 3.631 0 40 FHAB COC(=O)c1ccc(C(=O)N2CCS[C@@H](c3cccs3)CC2)cc1 219467678 GEURTIBVGBHIAS-MRXNPFEDSA-N 361.488 3.855 0 40 FHAB Cn1c(Cc2ccccc2)nnc1SCCCOc1ccc(C=O)cc1 8731721 BQRZNAOUBCONED-UHFFFAOYSA-N 367.474 3.780 0 40 FHAB C[C@H](NC(=O)CCNC(=O)c1ccc(F)cc1Cl)c1cccc(F)c1 40130433 OLIPXJQKWVPBDP-NSHDSACASA-N 366.795 3.616 0 40 FHAB CCCS(=O)(=O)c1ccccc1C(=O)N[C@@H](C)CCc1ccccc1 20613108 FJTOVQFIBKIAOR-INIZCTEOSA-N 359.491 3.621 0 40 FHAB CCc1ccc(-n2ncc3c2N=C(O)C[C@]32C(=O)N(C)c3ccccc32)cc1 20714846 SLTSYHCOLGFSAR-JOCHJYFZSA-N 372.428 3.689 0 40 FHAB O=C1Nc2ccccc2CC[C@H]1Sc1nnc(Cc2ccccc2)o1 20737782 IIQSODXRLJQMFT-MRXNPFEDSA-N 351.431 3.706 0 40 FHAB CCn1c(SCC(=O)Nc2ccc(C)cc2F)nnc1-c1cccnc1 32579506 KEGMICPQGGFQNF-UHFFFAOYSA-N 371.441 3.538 0 40 FHAB CCN(CC)C(=O)c1ccc(NC(=O)c2cc3ccc(OC)cc3[nH]2)cc1 32760149 FNRGTMWIAKKGIU-UHFFFAOYSA-N 365.433 3.911 0 40 FHAB Cc1ccc(C)c(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)c1 11916844 JGLQUVJJJLMKPN-UHFFFAOYSA-N 350.374 3.982 0 40 FHAB CCN(CC)c1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 2638681 NEHUHSOGXIWHLI-UHFFFAOYSA-N 351.450 3.912 0 40 FHAB O=C(COc1ncnc2sccc12)Nc1cccc(C(F)(F)F)c1 2618715 LDWFHFVVYOOADY-UHFFFAOYSA-N 353.325 3.728 0 40 FHAB Cc1ccc(NCN2C(=O)c3ccc(Br)cc3C2=O)c(C)c1 832249 MFUAOQPZFQORNB-UHFFFAOYSA-N 359.223 3.732 0 40 FHAB COc1ccccc1N[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 1472513 IDQIZMBMSYOZFS-CQSZACIVSA-N 365.216 3.746 0 40 FHAB Cc1c(-c2nnc3sc(-c4ccc(Cl)cc4Cl)nn23)cnn1C 79491731 UUWSKUBQGASJSL-UHFFFAOYSA-N 365.249 3.869 0 40 FHAB O=C(CCn1ccc2ccccc21)NCc1ccccc1CN1CCCC1 21962617 UEHZOOVJYFGAJO-UHFFFAOYSA-N 361.489 3.944 0 40 FHAB O=C(Nc1ccccc1Sc1ccc(Cl)cc1)c1cc(=O)[nH]c(O)n1 2787922 LDBBSLPIFHCQLM-UHFFFAOYSA-N 373.821 3.532 0 40 FHAB CCCC(=O)N[C@@H](Oc1ccc(C(C)=O)cc1)C(Cl)(Cl)Cl 2706914 SYORYXQONIUHGB-ZDUSSCGKSA-N 352.645 3.881 0 40 FHAB CNC(=O)c1c(NC(=O)CCSc2ccccc2)sc2c1CCC2 4335456 ZSJGVPNLMLGDGP-UHFFFAOYSA-N 360.504 3.717 0 40 FHAB COC(=O)c1cc(OC(=O)c2cc3ccccc3s2)cc(C(=O)OC)c1 7734849 QTRGVQREFLRTSL-UHFFFAOYSA-N 370.382 3.694 0 40 FHAB COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(-c2ccccc2Cl)o1 634851 VXIUFDVLQALPRJ-MRXNPFEDSA-N 360.797 3.743 0 40 FHAB Nc1ccccc1S[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 100367258 GJEPFNGOMIWOHX-CQSZACIVSA-N 367.257 4.000 0 40 FHAB COC(=O)c1sc2ncn(Cc3cccc4ccccc34)c(=O)c2c1C 791171 YQDIIYNSEQZDCV-UHFFFAOYSA-N 364.426 3.755 0 40 FHAB O=C(NC1CC1)[C@@H](Oc1c(F)c(F)cc(F)c1F)c1ccc(F)cc1 12255138 IUMHHDFBHKDNJF-HNNXBMFYSA-N 357.278 3.781 0 40 FHAB CC[C@H]1CCc2c(sc3ncn4nc([C@@H](C)n5cc(C)cn5)nc4c23)C1 2803477 DPSFTDMITHKXLU-OLZOCXBDSA-N 366.494 3.968 0 40 FHAB c1coc(-c2cc(CSc3nnc(NC[C@H]4CCCO4)s3)no2)c1 23846407 CMZXMKDXQAOLAJ-LLVKDONJSA-N 364.452 3.669 0 40 FHAB CN(C)C(=O)c1ccccc1NC(=O)N(Cc1cccc(F)c1)C1CC1 47502627 JASLFRSAKYNPGU-UHFFFAOYSA-N 355.413 3.724 0 40 FHAB CC1(C)Cc2cccc(OCCNC(=O)Cc3ccc(Cl)cc3)c2O1 24449056 VEYCHFJAFQEXCZ-UHFFFAOYSA-N 359.853 3.791 0 40 FHAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(F)c(Cl)c1 1328007 MCGZDYRGOIQHAL-UHFFFAOYSA-N 359.788 3.677 0 40 FHAB C[C@@H](O)[C@@]1(O)C[C@H]2[C@@H]3CC[C@@]4(C)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1 118914897 ZOTNOPONJVMHKM-NKUCABPZSA-N 350.543 3.892 0 40 FHAB Cc1ccc(CCC(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)cc1Cl 25408498 OHAGYDNYHSQACC-IYBDPMFKSA-N 366.933 3.585 0 40 FHAB Cc1ccc(/C=C/S(=O)(=O)N[C@@H](C)c2ccc3c(c2)OCCCO3)cc1 56056061 XMBNJHFMCUPALX-ISBHARSQSA-N 373.474 3.808 0 40 FHAB CCn1ccnc1S[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC 12646592 QFKTYVJWVNGQLQ-LLVKDONJSA-N 353.875 3.993 0 40 FHAB O=C(NCCc1cnn(-c2ccccc2)c1)[C@H]1CCC[C@@H](C(F)(F)F)C1 44414302 NWKPRIDSHLXDBQ-JKSUJKDBSA-N 365.399 3.900 0 40 FHAB Cc1sc2ncn([C@@H](C)C(=O)Nc3ccc(Cl)cc3)c(=O)c2c1C 1980963 NHUGSYIJMPOZBC-JTQLQIEISA-N 361.854 3.928 0 40 FHAB O=C(Cc1ccccc1)NCCC(=O)Nc1ccc(Cl)c(Cl)c1 12781522 KBXCXGKTILMHEO-UHFFFAOYSA-N 351.233 3.681 0 40 FHAB O=C(NCc1cccnc1)c1ccc(CN2CCCc3ccccc32)cc1 20042121 QWBHEVXWZAKOIV-UHFFFAOYSA-N 357.457 3.964 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1occc1C 12737191 YRLKVRHMRLXNAU-LLVKDONJSA-N 351.786 3.742 0 40 FHAB FC(F)(F)c1nc(Cl)c2cccc(I)c2n1 26894541 HIGPSOPWEYZACM-UHFFFAOYSA-N 358.488 3.907 0 40 FHAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc(N(C)C)nc2)c1 48364514 YIIPCQYBUZUTOP-MRXNPFEDSA-N 355.482 3.663 0 40 FHAB COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)Nc1ccc(OC)cc1 2361162 KGVWMSUAARCTIY-UHFFFAOYSA-N 357.341 3.746 0 40 FHAB CC(C)c1ccc(S(=O)(=O)NCc2ccccc2Cn2cccn2)cc1 10959095 JVAGNKQESOVLPE-UHFFFAOYSA-N 369.490 3.533 0 40 FHAB Cc1nnnn1-c1cccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 58896585 ZGFRANQQRKXREN-NSHDSACASA-N 356.817 3.507 0 40 FHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccc(F)c(Cl)c1 11158888 YXUDZURYWADVFQ-LLVKDONJSA-N 361.804 3.655 0 40 FHAB CC(C)C[C@H](NC(=O)CCn1cnc2sccc2c1=O)c1ccccc1 11237835 BLFVVTUFHOMLET-KRWDZBQOSA-N 369.490 3.752 0 40 FHAB CSc1ncc(Cl)c(C(=O)Nc2nc3c(s2)CCCCC3)n1 12852588 JKTGBKIPYMNZBG-UHFFFAOYSA-N 354.888 3.830 0 40 FHAB O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)NC1CCCCC1 3444882 JDNIKNIDXYMVQA-UHFFFAOYSA-N 355.409 3.884 0 40 FHAB COC(=O)C1(NC(=O)COc2ccc(Cl)cc2Cl)CCCCCC1 12934257 YNYPIOXCDHAVOX-UHFFFAOYSA-N 374.264 3.754 0 40 FHAB COC(=O)c1cccc2c1CCCN2C(=O)Cc1ccc2c(c1)CCCC2 12920418 CZFFESWGKNMVEL-UHFFFAOYSA-N 363.457 3.874 0 40 FHAB Cc1cccc(NC(=O)[C@H](NC(=O)NCc2ccc(F)cc2)C(C)C)c1C 12923304 XRRFJGGZXASFBB-LJQANCHMSA-N 371.456 3.905 0 40 FHAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)C(=O)NC1CCCC1 48637314 VPAIUPWHBXLRNV-UHFFFAOYSA-N 365.458 3.961 0 40 FHAB O=C(NC1Cc2ccccc2C1)c1ccc2nc(-n3cccc3)sc2c1 8992413 PUBCNFSUXYYPQQ-UHFFFAOYSA-N 359.454 3.984 0 40 FHAB Oc1ccc(-n2nnnc2SCc2ccc(Cl)cc2Cl)cc1 5053685 KIZWFARJKUAPRM-UHFFFAOYSA-N 353.234 3.967 0 40 FHAB Cc1cccc2c1NC(=O)[C@]21CC(O)=Nc2c1cnn2-c1cccc(F)c1 20719490 UHLVBATWRVVVDF-HXUWFJFHSA-N 362.364 3.550 0 40 FHAB CCc1ccc(CC)c(C(=O)CSc2nnc3nc(C)cc(C)n23)c1 6325931 CYWQHLVIQPVLCT-UHFFFAOYSA-N 354.479 3.841 0 40 FHAB Cc1oc2nc[nH]c(=O)c2c1C(=O)N(C)Cc1ccc(-c2ccccc2)cc1 65474384 CZZHXPZWEKGUIJ-UHFFFAOYSA-N 373.412 3.764 0 40 FHAB O=C1CSc2ccc(C(=O)OCc3coc(-c4cccs4)n3)cc2N1 4462660 JSDNCKROSGDPAP-UHFFFAOYSA-N 372.427 3.804 0 40 FHAB COc1cccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)C(C)C)c1 9192015 SIRWXMDHYDNMNC-UHFFFAOYSA-N 350.418 3.588 0 40 FHAB CC[C@@](C)(C(=O)NC1CCCC1)N(C(=O)c1cccs1)[C@H]1CCCO1 6440611 PYMKJBXFFNQRFU-APWZRJJASA-N 364.511 3.554 0 40 FHAB COc1ccccc1NC(=O)CCc1c(C)nc(SC(F)F)nc1C 14108669 COCBVIVXIPWEJL-UHFFFAOYSA-N 367.421 3.988 0 40 FHAB CCCCN1C(=O)[C@@](O)(CC(=O)c2cc(C)ccc2C)c2ccccc21 4554910 ZRGXTKINCGMCOW-JOCHJYFZSA-N 351.446 3.911 0 40 FHAB CCOC(=O)c1sc(NC(=O)C2(c3ccc(Cl)cc3)CC2)nc1C 14234894 CTXVFHNUCGTLCN-UHFFFAOYSA-N 364.854 3.952 0 40 FHAB CC(C)n1cnnc1S[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 5417298 BLYGNYCTXMPDHM-SNVBAGLBSA-N 358.389 3.997 0 40 FHAB CC(C)C(=O)n1nc(NCc2cccs2)nc1NCc1cccs1 4723823 HVIMUSOQQYSQMH-UHFFFAOYSA-N 361.496 3.922 0 40 FHAB COC(=O)Nc1cc(NC(=O)C2(c3ccccc3)CCOCC2)ccc1F 66488491 XLRYGKXAWYLVIT-UHFFFAOYSA-N 372.396 3.691 0 40 FHAB CCCN1C=NS(=O)(=O)c2cc(C(=O)Nc3cc(C)cc(C)c3)ccc21 15867504 MJWHPECPYMMACO-UHFFFAOYSA-N 371.462 3.503 0 40 FHAB Cc1ccccc1CN(C)CC(=O)Nc1c(C)nn(-c2ccccc2)c1C 7844986 YXWGMDPCNNMHMF-UHFFFAOYSA-N 362.477 3.868 0 40 FHAB CCc1cccc2c(C(=O)CSc3nnnn3C3CCCC3)c[nH]c12 8075169 OCMOKPOGDDNMFQ-UHFFFAOYSA-N 355.467 3.807 0 40 FHAB Clc1cc(CSc2nnnn2C2CCCC2)cc2c1OCCO2 8346214 RAGLWUCCLRMESQ-UHFFFAOYSA-N 352.847 3.505 0 40 FHAB CCc1ccc(S(=O)(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)cc1 8394754 HAJLSVZWWIZPKO-FPOVZHCZSA-N 370.518 3.554 0 40 FHAB COc1cccc2c(C)nc(Nc3nc(-c4ccc(C)cc4)cc(=O)[nH]3)nc12 20633957 JWDUBFGBVMKWML-UHFFFAOYSA-N 373.416 3.749 0 40 FHAB O=C(NO[C@@H]1CCCCO1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 84335373 YDZKGXTVSNNZIF-LLVKDONJSA-N 357.250 3.912 0 40 FHAB Cc1nc(N(C)C)sc1C(=O)NCc1ccc(F)cc1C(F)(F)F 95452392 IAOOMVJRAFQVIJ-UHFFFAOYSA-N 361.364 3.605 0 40 FHAB C[C@H](CNC(=O)CCc1ccc(Cl)nc1)Oc1ccc(Cl)cc1 95452123 ZDNIJAOKZCSPHM-GFCCVEGCSA-N 353.249 3.905 0 40 FHAB CCN(C(=O)Cc1cc(C)[nH]n1)[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 95467832 RYFRFPVDHPHATD-HNNXBMFYSA-N 370.884 3.801 0 40 FHAB CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(OC(C)(C)C)cc1 88390632 XPFAKSCAHYYBFR-OAHLLOKOSA-N 357.458 3.674 0 40 FHAB Cc1cc(-c2nnc(CN3CCCN(C)c4ccc(F)cc43)o2)c(C)o1 89912645 RIOAJBJAYSNLBW-UHFFFAOYSA-N 356.401 3.932 0 40 FHAB COc1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 408650741 BKZLXXPLKYHQRM-ZDUSSCGKSA-N 359.809 3.616 0 40 FHAB CCOc1ccccc1-c1ccnc2nc(N3CCC(C)CC3)[nH]c(=O)c12 22606957 LUJFXCQAXDXPDT-UHFFFAOYSA-N 364.449 3.620 0 40 FHAB C[C@@H](C(=O)Nc1cc2nc(O)[nH]c2cc1N1CCCC1)c1ccccc1 408529271 IZPGBNQGMQEGMI-CYBMUJFWSA-N 350.422 3.611 0 40 FHAB COc1cccc(Nc2c(-c3ccc(C(=O)O)cc3)nc3cnccn23)c1 35616156 IDMVHWWBHBZJNF-UHFFFAOYSA-N 360.373 3.847 0 40 FHAB COc1cc2c(cc1OC)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2 33884271 NJINVTPOJJDKII-KRWDZBQOSA-N 370.518 3.700 0 40 FHAB Cc1cc(C(F)(F)F)nc(CCNC(=O)Nc2ccccc2Cl)n1 75170716 QRZGCWDNJAQMIM-UHFFFAOYSA-N 358.751 3.821 0 40 FHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl 225475852 FTNYDPUEXVIBNA-MRXNPFEDSA-N 372.896 3.824 0 40 FHAB COc1ccc(C)cc1NC(=O)Cn1ccc(=O)c2ccc(Cl)cc21 225735158 ZUVZDHJWTGAKHK-UHFFFAOYSA-N 356.809 3.611 0 40 FHAB CCc1ccc(OCCNC(=O)c2ccc(CN3CCCC3)cc2)cc1 224094681 JUNDNOQPQRARAC-UHFFFAOYSA-N 352.478 3.654 0 40 FHAB CC1(C)CN(Cc2ccsc2C(=O)O)C[C@H](COc2ccccc2)O1 570698315 NRZPXGVLGUJIJJ-MRXNPFEDSA-N 361.463 3.505 0 40 FHAB Cc1ccc(CS(=O)(=O)NCCOc2ccccc2C(C)(C)C)cc1 223700911 ATYHBWYARCNONH-UHFFFAOYSA-N 361.507 3.791 0 40 FHAB O=C(Nc1ccccc1)Nc1ccc(C(=O)N[C@@H]2CC23CCOCC3)cc1 575883945 QWZLTBNBXUUAPE-GOSISDBHSA-N 365.433 3.630 0 40 FHAB Cc1ccc2oc(CCC(=O)NCCOc3ccc(C)c(C)c3)nc2c1 224947624 RXILAADTLIBZLZ-UHFFFAOYSA-N 352.434 3.881 0 40 FHAB O=C(CC[C@H]1CCC(=O)N1)Nc1ccc(-c2nc3ccccc3s2)cc1 584033985 AENZNZSTVLPAGP-HNNXBMFYSA-N 365.458 3.961 0 40 FHAB C[C@H](c1cccnc1)N(Cc1cnn2ccccc12)CC1CCOCC1 585084660 IHAZETJWKHWZPQ-QGZVFWFLSA-N 350.466 3.719 0 40 FHAB Cc1nc(Nc2ncccc2C)cc([C@H]2CCCN2Cc2c[nH]nc2C)n1 257315904 VDFFSPPVMRDMGY-GOSISDBHSA-N 363.469 3.601 0 40 FHAB O=C(NCC(=O)N1CCCC[C@@H](c2ccccc2)C1)OCc1ccccc1 390828374 QVGCAXTVPJAPRB-HXUWFJFHSA-N 366.461 3.709 0 40 FHAB O=C([C@@H]1CCCN(c2nc3ccccc3s2)C1)N1CCC(F)(F)CC1 684521210 KIKOQYKQIYBGIL-CYBMUJFWSA-N 365.449 3.770 0 40 FHAB COc1cccc(CN(C)C(=O)c2sccc2-n2cccc2)c1OC 57997268 COECRWIFNWMMCO-UHFFFAOYSA-N 356.447 3.828 0 40 FHAB Cc1ccccc1NC(=O)CSc1nnc2c3ccccc3n(C)c2n1 5042964 UBSRRHOUHFGUIU-UHFFFAOYSA-N 363.446 3.556 0 40 FHAB O=C(O)CCCCCCCCCCNS(=O)(=O)Cc1ccccc1 5603504 NMOLBMCVBLYEHT-UHFFFAOYSA-N 355.500 3.702 0 40 FHAB O[C@@H](CN1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 12292073 KSNFOADMXOIHEX-SFHVURJKSA-N 365.395 3.722 0 40 FHAB O=C(CNc1ccccc1N1CCCCC1)NC(=O)Nc1ccccc1F 15357108 NNHKAJXOZWMASE-UHFFFAOYSA-N 370.428 3.576 0 40 FHAB CCOC(=O)/C=C1\C[C@H]2c3cc(OC)c(OC)cc3CCN2C[C@@H]1CC 18127588 XVPICYCPIBJEBT-XMDNHAFTSA-N 359.466 3.522 0 40 FHAB CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)C1CCCC1 19017551 ZMCCVVXETKHSHR-YPAWHYETSA-N 368.521 3.962 0 40 FHAB Cc1nc(N2CCOCC2)sc1CN1CCC[C@@H]1c1cccc(F)c1 19658652 PASZRYHNDAGLNI-QGZVFWFLSA-N 361.486 3.764 0 40 FHAB O=C1[C@@H](C2CCN(c3cnccn3)CC2)CCCCN1Cc1ccccc1 19696350 YWPIRXCYJKTHFJ-HXUWFJFHSA-N 364.493 3.522 0 40 FHAB O=C(NCC1CCN([C@@H]2CCSC2)CC1)C12CC3CC(CC(C3)C1)C2 225569683 DEYVCSYZCNQXBH-VJJCQHNBSA-N 362.583 3.537 0 40 FHAB Cc1cnc(Nc2cccc([C@@H]3CN(C(=O)C4CCCC4)CCO3)n2)s1 643551115 XMMCKLJJPGESHS-INIZCTEOSA-N 372.494 3.680 0 40 FHAB Cc1nc(C)c(F)c(OCC2CCN(c3nc4ccc(F)cc4o3)CC2)n1 1888913585 QTABLZKFPCJIFZ-UHFFFAOYSA-N 374.391 3.808 0 40 FHAB O=c1[nH]c(CN(Cc2ccco2)Cc2cccs2)nc2ccccc12 23845320 HNEIMFXVYDMDSQ-UHFFFAOYSA-N 351.431 3.780 0 40 FHAB FC(F)(F)c1cccc(CN2CCC[C@H](COc3cnccn3)C2)c1 2298206637 GULHARSBSVBMEL-HNNXBMFYSA-N 351.372 3.786 0 40 FHAB CCCCOc1cccc(C(=O)NC(=S)Nc2ccccc2C(=O)O)c1 5862156 QLWKKWFGOSRVHS-UHFFFAOYSA-N 372.446 3.691 0 40 FHAB CC(C)C(=O)Nc1ccc(OCC(=O)O)c(-c2nc3ccccc3o2)c1 20157717 VUZNRAZAZACUBB-UHFFFAOYSA-N 354.362 3.553 0 40 FHAB O=C(NCc1ccc(Cn2ccnc2)cc1)c1cc2cc(Cl)ccc2[nH]1 30216744 LLXORNUVUDAXOE-UHFFFAOYSA-N 364.836 3.996 0 40 FHAB O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc2c(c1)CCCC2 40122132 FJQPWOLRBXGLHN-OAQYLSRUSA-N 362.473 3.659 0 40 FHAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1nc(C)c(C)o1 40158328 KROIKKCXDDUARI-UHFFFAOYSA-N 355.360 3.559 0 40 FHAB Cc1ccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)c(O)c1 40144737 XCGFDMIQCZYYHI-UHFFFAOYSA-N 369.371 3.906 0 40 FHAB Cc1ccccc1NC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100632549 RSTFYUCCHONANF-CPLUKWAASA-N 372.424 3.559 0 40 FHAB C[C@](Cc1nc2ccccc2s1)(C(=O)N1CCOCC1)c1ccccc1 32747459 FHQWRKXEQIESJG-OAQYLSRUSA-N 366.486 3.656 0 40 FHAB Cc1ccc(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)cn1 32895739 DROCSRXFNAOUFF-UHFFFAOYSA-N 354.479 3.962 0 40 FHAB COc1ccc(C(=O)NCCc2ccc3c(c2)OCCO3)c2ccccc12 18073456 CTUWHFDNPZCXGY-UHFFFAOYSA-N 363.413 3.592 0 40 FHAB Cc1cc(NC(=O)COc2nnc(-c3ccccc3)c3ccccc23)no1 2621058 IGUQNXSTPKYLPI-UHFFFAOYSA-N 360.373 3.611 0 40 FHAB Cc1ccccc1[C@@H]1C2=C(O)CC(C)(C)CC2=Nc2nc(N)[nH]c(=O)c21 102667420 KRHGFNQAZVMTCR-CQSZACIVSA-N 350.422 3.511 0 40 FHAB Cc1ccc(-c2nc(C)c(C(=O)Nc3cccc(NC(N)=O)c3)s2)o1 32938406 RPSWIJDTHKUFAZ-UHFFFAOYSA-N 356.407 3.763 0 40 FHAB Cc1cc(Cc2ccc(NC(=O)N3CC3)c(C)c2)ccc1NC(=O)N1CC1 1628286 VZNXJCXPPRCAKQ-UHFFFAOYSA-N 364.449 3.589 0 40 FHAB CSc1cnn(-c2ccccc2)c1NC(=O)NCc1cccc(C)n1 79100955 DXSSRHADLRRPCD-UHFFFAOYSA-N 353.451 3.619 0 40 FHAB CC[C@H](C)c1ccccc1OC[C@H](O)CN1C(C)(C)CC(O)CC1(C)C 2694545 VLWDXHLABKTLOC-FUHWJXTLSA-N 363.542 3.954 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1noc(-c2ccccc2C)n1 21806695 HOKOQYZYDCVHFZ-HNNXBMFYSA-N 355.369 3.980 0 40 FHAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCCc2ccccc21 3348267 ZROMIVBIRQQXLS-UHFFFAOYSA-N 357.353 3.727 0 40 FHAB O=C(CCCCC(=O)OCCC[C@@H]1CCCO1)OCCC[C@@H]1CCCO1 4684100 XTNYFARPUNLMRF-ROUUACIJSA-N 370.486 3.552 0 40 FHAB CCSc1nnc2n(-c3cccc(C)c3C)c(=O)c3ccccc3n12 22021679 JAODYLXTQKTCRO-UHFFFAOYSA-N 350.447 3.762 0 40 FHAB COC(=O)c1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(c2ccccc2C)C(=O)N1 4852836 SBQNCLFTPGVBEI-YWZLYKJASA-N 352.390 3.551 0 40 FHAB O=C(c1ccc(N2CCCCC2)cc1)N1CCN(c2ccccc2F)CC1 7504952 BRMOMAYDQIFJDX-UHFFFAOYSA-N 367.468 3.778 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)CNc2cccc(C(C)=O)c2)c1 22694996 HRJAFCBZYCYYIF-UHFFFAOYSA-N 356.422 3.737 0 40 FHAB COc1cc(C(=O)OCc2cn3cc(C)ccc3n2)ccc1OC(F)F 8461466 JVXYWVBPBIIJKX-UHFFFAOYSA-N 362.332 3.610 0 40 FHAB COc1ccccc1[C@H](CNC(=O)[C@H]1C[C@@H]2CC[C@@H]1C2)N1CCCCC1 102779645 RMXACZLFLZOSLX-JYBIWHBTSA-N 356.510 3.775 0 40 FHAB CN(Cc1ccc2ccccc2c1)CN1C(=O)NC2(CCCCCC2)C1=O 23717757 CBUSGCNNTSOATK-UHFFFAOYSA-N 365.477 3.874 0 40 FHAB NC(=O)CCOc1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1 43245230 QJDGDFVDSNZNRT-UHFFFAOYSA-N 360.413 3.860 0 40 FHAB COc1ccc([C@H]2NCc3ccccc3-n3cccc32)c(OC)c1OC 55211381 UISRWWAGULAENF-LJQANCHMSA-N 350.418 3.696 0 40 FHAB NC(=O)[C@@H](c1ccc(Cl)cc1)c1nc2ccccc2nc1C(F)(F)F 1386069 VVSMQWNZLXXKNL-ZDUSSCGKSA-N 365.742 3.919 0 40 FHAB O=C(Nc1ccccc1O)c1ccccc1OCc1cn2ccccc2n1 24924881 YRWBHGFIXWPGNC-UHFFFAOYSA-N 359.385 3.871 0 40 FHAB O=C(COc1ccc(Cl)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12577145 WCYGCVZCJJEREN-QGZVFWFLSA-N 355.825 3.959 0 40 FHAB CC[C@H](CNC(=O)c1ccc2c(O)[nH]c(=S)nc2c1)c1ccccc1 47932559 KRLXRXDWHWLDHP-GFCCVEGCSA-N 353.447 3.922 0 40 FHAB CC[C@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCN1C[C@H](C)O 108090540 UCHGZMFBWCEKSC-UWJYYQICSA-N 367.493 3.663 0 40 FHAB CCc1noc([C@@H](C)N2CC=C(c3c(OC)cc(OC)cc3OC)CC2)n1 44368191 GBBPDIOJEJLULJ-CYBMUJFWSA-N 373.453 3.508 0 40 FHAB Cc1ccc(S(=O)(=O)N/C(=C(/N)c2ccccc2)c2ccccc2)cc1 116240096 BEMRQAALSGVBQA-QZQOTICOSA-N 364.470 3.758 0 40 FHAB CC(=O)N(C)c1ccc(NC(=O)c2cc(Br)ccc2F)cc1 58201390 QDBAVOMBWIRXJF-UHFFFAOYSA-N 365.202 3.823 0 40 FHAB Cn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1cnccn1 3364567 NDJURQVEBPKMBR-UHFFFAOYSA-N 351.357 3.583 0 40 FHAB CC1(C)[C@H](Cc2cc(CN3CCCCC3)on2)C[C@@H]1NCc1ccccn1 67890119 SYJWPAQOEJEPJR-UTKZUKDTSA-N 368.525 3.803 0 40 FHAB biogenic,in-vitro Cc1cnc(C)n1Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)o1 28047622 XMMVQEKTPREDJS-LLVKDONJSA-N 370.478 3.975 0 40 FHAB O=C(CNC(=O)OCc1ccccc1)Nc1ccc2oc(C3CC3)nc2c1 58418689 MBWOHXHVMFEEOE-UHFFFAOYSA-N 365.389 3.570 0 40 FHAB CCN(CC)Cc1ccc(C(=O)N[C@@H](C)c2cccc(NC(C)=O)c2)o1 58441040 LBIQDUWHYOZXFM-AWEZNQCLSA-N 357.454 3.571 0 40 FHAB CCC(=O)c1ccccc1OS(=O)(=O)c1cccc2cc(C)cnc12 12769084 XYUNKYONVGHZBG-UHFFFAOYSA-N 355.415 3.904 0 40 FHAB CC[C@H](OC(=O)c1csc2c1CC[C@H](C)C2)C(=O)Nc1cc(C)on1 12794603 HBPWAVDBZAKTRK-HZMBPMFUSA-N 362.451 3.743 0 40 FHAB C[C@@H](Nc1ccc(OC(F)(F)F)cc1)C(=O)NCc1ccc(F)cc1 12733256 FJNUARPHIUUKOZ-LLVKDONJSA-N 356.319 3.841 0 40 FHAB O=C(CSc1ncccc1Cl)Nc1ccccc1N1CCCC1=O 11252459 QDIGWSZRROSWFG-UHFFFAOYSA-N 361.854 3.593 0 40 FHAB O=C(C[C@@H]1CCCO1)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 45819470 IZNWICCRIKQNDB-HKUYNNGSSA-N 367.424 3.602 0 40 FHAB CCc1cccc(CC)c1NC(=O)CCN1C(=O)COc2ccccc21 12895795 JYXGYJNMWAMTBR-UHFFFAOYSA-N 352.434 3.566 0 40 FHAB Cc1nc2ccc(NC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)cc2s1 29647362 HPTYNXQHXXXELN-CQSZACIVSA-N 361.467 3.943 0 40 FHAB COC(=O)c1cc(NS(=O)(=O)c2cccc(Cl)c2)ccc1Cl 12916272 ZYDZHZMKAZVSKV-UHFFFAOYSA-N 360.218 3.581 0 40 FHAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)[C@H]2CCCc3ccccc32)c1 12948582 LHDFIHZWTWFTPG-IBGZPJMESA-N 350.462 3.820 0 40 FHAB O=C(COc1cc(Cl)ccc1Cl)N1CCO[C@@H](c2ccccc2)C1 13011642 BRLNTMRIEFVGHF-QGZVFWFLSA-N 366.244 3.972 0 40 FHAB COc1ccc(CN(C)C(=O)Cc2c(F)cccc2Cl)cc1OC 13095769 FJHPJJKCDWLCOY-UHFFFAOYSA-N 351.805 3.697 0 40 FHAB COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1 13186122 KZAZDWCLYUSLSC-UHFFFAOYSA-N 373.836 3.607 0 40 FHAB Cc1nc(C2(NC(=O)C(=O)c3ccc(C(C)(C)C)cc3)CCCCC2)no1 64310454 COFDGMHGJXGMAE-UHFFFAOYSA-N 369.465 3.834 0 40 FHAB CNC(=S)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1 6084936 OUUJEWPULDKLMY-UHFFFAOYSA-N 350.875 3.639 0 40 FHAB C[C@@H](OC[C@@H](O)CNCCCN1CCCCCC1)c1ccc(Cl)cc1 6051595 DNXUXQKZKCFGGZ-XLIONFOSSA-N 368.949 3.634 0 40 FHAB COc1ccc(-c2nn3c(COc4ccc(C)cc4)nnc3s2)cc1 5032306 LCSJHVJCBNITCZ-UHFFFAOYSA-N 352.419 3.749 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2c(C)cccc2C)C1 4385258 JUWIKCMSBGVXLN-CQSZACIVSA-N 372.852 3.957 0 40 FHAB CC(=O)Nc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1 6336596 OAVAAFTVEQLBBF-UHFFFAOYSA-N 352.312 3.681 0 40 FHAB C[C@@H](NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(Cl)cc1 14140490 CJZGGAWUGSRABN-OAHLLOKOSA-N 358.869 3.663 0 40 FHAB CNc1snc(C)c1C(=O)N1CCC(Oc2cc(C)ccc2C)CC1 65742459 DAWRCLRUPIPRQR-UHFFFAOYSA-N 359.495 3.794 0 40 FHAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(-n4cccn4)cc3)c12 28242584 KXDQBSVWJFOZCL-UHFFFAOYSA-N 372.432 3.592 0 40 FHAB Cc1nn(C)cc1C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 6527281 AGDGXLQMPSMGGP-UHFFFAOYSA-N 356.495 3.905 0 40 FHAB COc1ccc(CC(=O)NCCSCc2ccc(C)cc2)cc1OC 20240092 NZIJEULGWUMZQI-UHFFFAOYSA-N 359.491 3.604 0 40 FHAB CCOc1ccc2nc(NC(=O)c3cc(OC)cc(OC)c3)sc2c1 5568982 CGGBFUUSYGDWJA-UHFFFAOYSA-N 358.419 3.965 0 40 FHAB C[C@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccc(F)c(F)c1 14575181 HJYQDYWCJNPLDC-VIFPVBQESA-N 373.808 3.513 0 40 FHAB CCCc1cc(=O)oc2cc(OCC(=O)Nc3cccnc3)c(Cl)cc12 6671874 LZQMAMLCFSTMCN-UHFFFAOYSA-N 372.808 3.811 0 40 FHAB O=C(NCc1ccsc1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 67059868 AHAKCMZZXYRILT-OAHLLOKOSA-N 354.834 3.824 0 40 FHAB CC(C)OCCCNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 19450407 ZSSMKULOPVHPSY-UHFFFAOYSA-N 366.505 3.790 0 40 FHAB CCc1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)[nH]c(C)c1C(C)=O 4924325 LSOCPXROZNQYDX-UHFFFAOYSA-N 373.884 3.704 0 40 FHAB COc1ccc([C@@H](NC(=O)c2ccc(-c3ccco3)[nH]c2=O)C2CC2)cc1 67824803 GRVNFZZMMXCAGX-IBGZPJMESA-N 364.401 3.525 0 40 FHAB C[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCO2)c1ccc(-n2ccnc2)cc1 7987059 FSQSTLQNCOAUAK-GFCCVEGCSA-N 369.808 3.745 0 40 FHAB Cc1c(Cl)cccc1NC(=O)c1nn(-c2ccc(F)cc2)ccc1=O 9205763 QCWMIHNEDHJJEE-UHFFFAOYSA-N 357.772 3.586 0 40 FHAB O=C(CCN1CC[C@@H](c2ccccc2)C1)Nc1ccnn1C1CCCC1 69599792 LUSZZECBRANNKG-GOSISDBHSA-N 352.482 3.816 0 40 FHAB Cc1ccc(S(=O)(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1C 9494404 DPFQETABGCTJEI-MRXNPFEDSA-N 365.520 3.735 0 40 FHAB COc1ccc(CN(C)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1F 9514373 RCCVOQKYYLLEMG-UHFFFAOYSA-N 367.424 3.909 0 40 FHAB COC(=O)c1ccoc1CN[C@@H](c1cccc(Cl)c1)c1ccccn1 83897524 YKOYZFMGRGNPBB-SFHVURJKSA-N 356.809 3.994 0 40 FHAB COc1ccc(-c2noc(-c3cc4cccc(OC)c4oc3=O)n2)cc1 9939093 SNZYPUSQKDJQCX-UHFFFAOYSA-N 350.330 3.527 0 40 FHAB C[S@](=O)c1ccccc1NC(=O)N1CCC(C(=O)c2ccccc2)CC1 75092070 GWTBLONGISDBHS-AREMUKBSSA-N 370.474 3.551 0 40 FHAB Cc1ccc(S(=O)(=O)/N=c2\sc(C)c(-c3ccccc3)n2C)cc1 409197746 NWBTVLUVMNLNPG-HNENSFHCSA-N 358.488 3.660 0 40 FHAB C[C@H](OC(C)(C)C)[C@@H](NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C 37631839 ZEMPPUAPDWWJPV-GOEBONIOSA-N 365.470 3.827 0 40 FHAB CC(C)(C)OC(=O)NC[C@H]1Cc2cc(Br)cc(Cl)c2O1 140313271 KSVASNJLEZKGDF-SNVBAGLBSA-N 362.651 3.931 0 40 FHAB C[C@@H]1CCC[C@@H]2C1=NN(C(=O)CCCc1ccccc1)[C@@]2(O)C(F)(F)F 409177822 HTIHKHXFXMPTAI-SIIHOXLZSA-N 368.399 3.895 0 40 FHAB c1ccc(-c2cc(Nc3ccc(-c4cncnc4)cc3)n3ncnc3n2)cc1 522759140 JICIWKBGGXHICK-UHFFFAOYSA-N 365.400 3.992 0 40 FHAB CC(C)[C@@H](Sc1nncn1C1CC1)C(=O)Nc1ccc2c(c1)CCC2 30732319 MXRBUAXQAAARCI-QGZVFWFLSA-N 356.495 3.857 0 40 FHAB O=C([C@@H]1CC(c2cccc(F)c2)=NO1)N1CCCSc2ccccc21 36833040 OBDIJNVZLWDKMA-KRWDZBQOSA-N 356.422 3.848 0 40 FHAB COC(C)(C)C(=O)N1CCC[C@@H]1c1cc(Nc2nccs2)cc(C)n1 72372731 ZCEIXZDWLFREJK-OAHLLOKOSA-N 360.483 3.679 0 40 FHAB CC(C)c1cccc(NC(=O)Cn2cnc3c([nH]c4ccccc43)c2=O)c1 35423760 JDABNXVLOVPZAK-UHFFFAOYSA-N 360.417 3.640 0 40 FHAB CC(C)[C@H](OC(=O)c1ccc2cn[nH]c2c1)C(=O)Nc1ccccc1F 30668854 WSBASNWLRADSDE-KRWDZBQOSA-N 355.369 3.522 0 40 FHAB O=C(NCC(F)(F)c1ccc(Cl)cc1)c1coc(C2CCOCC2)n1 561335847 CFJQQXQXUXFDGF-UHFFFAOYSA-N 370.783 3.744 0 40 FHAB C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1noc(CCCC(=O)O)n1 566015132 KKMLOKDWMYIGSW-JTQLQIEISA-N 372.252 3.977 0 40 FHAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1cccc(OC)c1 224441571 YOUFOKUVAZIPTQ-QGZVFWFLSA-N 363.841 3.701 0 40 FHAB O=C(NCc1cccnc1-c1ccco1)c1cc(-c2cccs2)n[nH]1 225661763 RMCBGBVXJOHRJE-UHFFFAOYSA-N 350.403 3.723 0 40 FHAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NC[C@@H]1COc2ccccc2O1 225261606 KEYGHTKLMINQGJ-HNAYVOBHSA-N 363.413 3.563 0 40 FHAB COC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 222903809 YKMJVJYYTMBVKM-CQSZACIVSA-N 353.418 3.758 0 40 FHAB COc1ccc(CC(=O)NCc2ccc(OCc3cccnc3)cc2)cc1 40106768 DYCDYQPYUWERFY-UHFFFAOYSA-N 362.429 3.528 0 40 FHAB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(OC)cc2)c1 225464957 BXVBGGDZRMJTDV-ZDUSSCGKSA-N 358.463 3.920 0 40 FHAB O=C(O)c1cn(-c2ccc(F)cc2)c2c1N=C(O)C[C@@H]2c1cccnc1 40267829 OULOMHOPUADBEH-CQSZACIVSA-N 351.337 3.833 0 40 FHAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCOc1ccccc1OC 224467198 XMUURJGRCKNKKP-KRWDZBQOSA-N 357.450 3.665 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 223142365 OJFFKTSFKPEYKG-IBGZPJMESA-N 372.896 3.744 0 40 FHAB CCN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1 224955712 BGVQPLHNVJPFAA-UHFFFAOYSA-N 355.843 3.572 0 40 FHAB CC(C)(Oc1nn(-c2ccccc2)cc1Cl)C(=O)Nc1cccnc1 227153116 JSLNASKZOFDKPI-UHFFFAOYSA-N 356.813 3.717 0 40 FHAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 222868002 YXTZNVVIADVEGI-MOPGFXCFSA-N 366.490 3.907 0 40 FHAB Cc1occc1C(=O)N1CCC2(CCCN(Cc3ccccn3)C2)CC1 96158496 NCCXYWQQARJHNX-UHFFFAOYSA-N 353.466 3.501 0 40 FHAB c1cncc(COC[C@@H]2CC3(CCN(Cc4ccsc4)CC3)CO2)c1 96106138 ZRZSGNVTKCBVIY-IBGZPJMESA-N 358.507 3.731 0 40 FHAB CN1CCCCC[C@@H]2N(C(=O)c3ccnn3C)[C@H](c3ccccc3)C[C@@]21C 257241795 HZPNWJLNHSMCQF-ONTIZHBOSA-N 366.509 3.640 0 40 FHAB Fc1ccc(OCc2cc([C@H]3CCN(Cc4ccccn4)C3)n[nH]2)cc1 257228302 FTIJUPAGJYQFJM-HNNXBMFYSA-N 352.413 3.512 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)Cc2cc3ccccc3o2)cc1 253472609 NVVHBPZRBIHFOJ-ZDUSSCGKSA-N 357.431 3.545 0 40 FHAB COC(C)(C)C(=O)N1CCC[C@@H](c2ccnc(Nc3ncccc3C)c2)C1 257200992 AFRRRNAKVWKDSC-QGZVFWFLSA-N 368.481 3.660 0 40 FHAB Cc1ccccc1-c1noc(CN2CCO[C@]3(CCc4ccccc43)C2)n1 677072995 ZVOAGLBLUNLMSD-JOCHJYFZSA-N 361.445 3.719 0 40 FHAB CCc1ccc(S(=O)(=O)NC[C@](C)(OC)c2cccc(Cl)c2)s1 96392830 PSISZVFKFZDJAF-INIZCTEOSA-N 373.927 3.804 0 40 FHAB OC[C@]1(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CCCNC1 585263392 YFTKPTBRWCFDMS-FQEVSTJZSA-N 366.490 3.562 0 40 FHAB Cc1ccc(CN2CC3(CC[C@@H](CN(C)Cc4cccnc4)CO3)C2)s1 585105340 UKDQCYOGZVLIJH-IBGZPJMESA-N 371.550 3.565 0 40 FHAB COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1nc(C)c(C)s1 55006455 YNTGXPAPSPGMAS-NSHDSACASA-N 350.465 3.666 0 40 FHAB O=C1CCc2cc(C(=O)COC(=O)c3sccc3C3CC3)c(F)cc2N1 63974131 RMWASWHNJHXLNT-UHFFFAOYSA-N 373.405 3.689 0 40 FHAB O=C(O)[C@H]1CCN(C(=O)Nc2cccc3cccc(Br)c23)C1 952884231 LMWFVFHUUNZHLA-NSHDSACASA-N 363.211 3.541 0 40 FHAB O=C(Nc1cccc2cnccc12)N1CCN(Cc2ccsc2)CC1 85858847 NFFLCRXXTFMFMC-UHFFFAOYSA-N 352.463 3.646 0 40 FHAB N#C/C(=C\c1cc(Br)ccc1O)C(=O)Nc1ccccc1F 5868506 WXIWGDWHQBELJG-YRNVUSSQSA-N 361.170 3.839 0 40 FHAB COC(=O)C1(C[C@@H]2CC(c3ccc(C(F)(F)F)cc3)=NO2)CCOCC1 12226279 NLBCWLVYMOWYIJ-AWEZNQCLSA-N 371.355 3.558 0 40 FHAB CCOC(=O)c1cccc(NC(=O)CSCc2ccc(OC)cc2)c1 13669958 VRWUPXQGEHKQLH-UHFFFAOYSA-N 359.447 3.744 0 40 FHAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(OC(F)F)cc1 14302618 ABWPDBYZPTVSDC-UHFFFAOYSA-N 358.344 3.743 0 40 FHAB CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1cc(NC)nc(C2CC2)n1 19499230 SLWJCWVMBBNQFH-QGZVFWFLSA-N 363.465 3.687 0 40 FHAB Cc1cc(C)n([C@H](C(=O)N[C@H](C)c2ccc3c(c2)CCCO3)C(C)C)n1 19572643 CPZFUMGQKVEFBK-UZLBHIALSA-N 355.482 3.899 0 40 FHAB O=C(Nc1c(Cl)cccc1Cl)c1cnc(-c2ccccc2)[nH]c1=O 19937234 YUBDBWUJQWECMX-UHFFFAOYSA-N 360.200 3.996 0 40 FHAB O=C(Nc1ccc(Oc2ccncc2)c(Cl)c1)[C@H]1CC[C@H](C2CC2)N1 653115179 GCYQYKUFDLTRKF-IAGOWNOFSA-N 357.841 3.996 0 40 FHAB CC[C@H](C)[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)C(=O)OC 8987888 DFYIURJXERYZEU-HNAYVOBHSA-N 355.434 3.583 0 40 FHAB O=C(N1CCn2nc3c(c2C1)CCC3)C1(c2ccc(Cl)cc2)CCCC1 253473843 ZDLRYFPTQFAPFD-UHFFFAOYSA-N 369.896 3.879 0 40 FHAB CC(C)n1c2ccccc2c2nnc(SCC(=O)N3CCCCC3)nc21 719845 UVKDSBLKYSUCSW-UHFFFAOYSA-N 369.494 3.665 0 40 FHAB CCc1nnc(N2C(=O)c3ccccc3[C@]2(O)c2ccc(Cl)cc2)s1 1076468 YEBVGDMPUBTTSZ-GOSISDBHSA-N 371.849 3.608 0 40 FHAB CC1(C)CC(=O)c2sc(NC(=O)c3cc(=O)c4ccccc4o3)nc2C1 2488325 YJDHMUNNTVSMDM-UHFFFAOYSA-N 368.414 3.657 0 40 FHAB CCn1c([C@@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)nc2ccccc21 4033549 GXUOCBPMCXHYHA-CQSZACIVSA-N 365.433 3.594 0 40 FHAB O=C(CCCc1ccccc1)NCCc1csc(-c2cccnc2)n1 4167048 QKMCGHAPLUGTJS-UHFFFAOYSA-N 351.475 3.887 0 40 FHAB Cc1ccc2sc(N3CCN(C(=O)Cc4ccccc4)CC3)nc2c1C 4585357 SEGPXPRFKXJDIO-UHFFFAOYSA-N 365.502 3.804 0 40 FHAB Cc1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3F)c2)c1C 15883181 NROARWOBHREZBF-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB O=C(NCCNc1nc2ccccc2s1)c1ccc(C(F)(F)F)cn1 40087230 LKEIXLJHVNACNQ-UHFFFAOYSA-N 366.368 3.552 0 40 FHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C[C@@H](NC(N)=O)c1ccccc1 40146779 UWZYVMBYNVYLNX-SJORKVTESA-N 369.465 3.517 0 40 FHAB O=c1cc(-c2cccnc2)nc2n(Cc3ccc(F)cc3)c3ccccc3n12 40484773 CABZXIUHHOJABG-UHFFFAOYSA-N 370.387 3.899 0 40 FHAB COc1ccc(N2C(=O)C[C@H]([C@H]3CCCC=C3N3CCCCC3)C2=O)cc1 101130496 FCHGOTAXHIXVHB-RTBURBONSA-N 368.477 3.745 0 40 FHAB O=C1COc2cc(C(=O)N[C@@H](c3cccs3)C3CCCC3)ccc2N1 32396922 AZTDVCPQILTYPF-GOSISDBHSA-N 356.447 3.740 0 40 FHAB Cc1cc(Br)oc1C(=O)NC[C@H]1CCN(c2ccccc2)C1 52667445 FEOCLHBTNCZDCD-CYBMUJFWSA-N 363.255 3.607 0 40 FHAB Cc1cc(C)c(NC(=O)CN(C)Cc2csc(N(C)C3CC3)n2)c(C)c1 79105554 ZUNVCBIWGQETKW-UHFFFAOYSA-N 372.538 3.737 0 40 FHAB Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc(N(C)C)nc1 32935938 SMNCQJUPRBJLLC-UHFFFAOYSA-N 352.463 3.756 0 40 FHAB CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(C(C)C)cc2)n2ncnc2N1 4151221 FDYAERPXDFFKET-IBGZPJMESA-N 374.448 3.724 0 40 FHAB Cc1cccc(N2CCN([C@@H](C)C(=O)Nc3ccccc3Cl)CC2)c1 22012642 KVMBCXDQFNJCOM-INIZCTEOSA-N 357.885 3.798 0 40 FHAB CC(=O)NC(=S)Nc1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1 6239109 UUYHMLUHMRFBRQ-UHFFFAOYSA-N 371.462 3.559 0 40 FHAB O=C(COc1ccc(-c2nc3ccccc3[nH]2)cn1)Nc1ccc(F)cc1 6586177 BNIJWSYERLCIJQ-UHFFFAOYSA-N 362.364 3.782 0 40 FHAB CCN1C(=O)S[C@H](Cc2ccc(OCc3ccccc3)c(OC)c2)C1=O 6952905 VQMMFSGIOOTVNB-GOSISDBHSA-N 371.458 3.901 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2C)cc1 10314391 BSMVCXNAOVOSSR-UHFFFAOYSA-N 360.479 3.633 0 40 FHAB Cc1cc(=O)c(C(=O)OC2CCCC2)nn1-c1ccccc1C(F)(F)F 61192137 UOSZOVCQABRDML-UHFFFAOYSA-N 366.339 3.659 0 40 FHAB COc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)[nH]1 10475497 OJEGKMOVMLNFQC-UHFFFAOYSA-N 374.853 3.865 0 40 FHAB O=C(O)CCc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 8105027 AMMMLRBHMRCWBW-UHFFFAOYSA-N 373.352 3.523 0 40 FHAB Cc1ccc(-c2nnco2)cc1NC(=O)Cc1csc(-c2ccco2)n1 47320114 XFUQITXICHCJIY-UHFFFAOYSA-N 366.402 3.943 0 40 FHAB COc1ccccc1CNC(=O)Cc1cnc(-c2ccccc2F)s1 12406956 ZPQUTKQDYKTMDO-UHFFFAOYSA-N 356.422 3.817 0 40 FHAB COC(=O)c1ccc(NCN2C(=O)S/C(=C\c3ccccc3)C2=O)cc1 973388 SSYQEMGVBVVQJQ-WJDWOHSUSA-N 368.414 3.579 0 40 FHAB CCN(C[C@H]1COc2ccccc2O1)C(=O)Nc1cccc2cnccc12 43161305 KZLYMYFZYFVSCO-INIZCTEOSA-N 363.417 3.929 0 40 FHAB Cc1cc(=O)n(-c2c(C)cccc2Cl)c(/C=C(/O)c2ccncc2)n1 104283912 RJDBSSBLPZRWTK-LFIBNONCSA-N 353.809 3.954 0 40 FHAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)N(Cc1ccncc1)C1CC1 47631150 ZWRKASCRVLLDJM-UHFFFAOYSA-N 372.852 3.630 0 40 FHAB COc1ccc([C@@H](CNC(=O)NCc2ccc(C)cc2)N2CCCC2)cc1 24980754 DIFMOECYDCRMEQ-OAQYLSRUSA-N 367.493 3.640 0 40 FHAB COC(=O)C12C[C@@H]3C[C@H](CC(NC(=O)c4nc5ccccc5s4)(C3)C1)C2 101415522 XWPHQRBHFWMQMI-BHRWCRGXSA-N 370.474 3.538 0 40 FHAB Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@H](C(F)(F)F)C2)no1 57380664 VCVQOUHTBKKBJT-GOEBONIOSA-N 367.371 3.937 0 40 FHAB O=C(N[C@H](Cc1ncc[nH]1)c1ccccc1)c1ccc(-n2cccc2)cc1 12547577 AKKOWDXNOLEFSV-HXUWFJFHSA-N 356.429 3.914 0 40 FHAB CCN(C(=O)Cn1c(-c2ccccc2)nc(C)cc1=O)c1cccc(C)c1 57526290 PYEZORYRKBLSNK-UHFFFAOYSA-N 361.445 3.580 0 40 FHAB O=C(COC(=O)c1ccc(F)cc1Cl)NCCc1ccc(Cl)cc1 3221154 QNSTVSNPNFEKKT-UHFFFAOYSA-N 370.207 3.648 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2C(=O)C[C@](C)(O)C[C@H]2c2ccccc2)c(C)c1 101406530 ZZCYFVLFXLNREF-RBDMOPTHSA-N 351.446 3.756 0 40 FHAB Cc1[nH]c2nc3ccccc3n2c(=O)c1Cc1ccc(Br)cc1 100136770 JXAXADOLNGSNFZ-UHFFFAOYSA-N 368.234 3.838 0 40 FHAB Cc1nn(C)c2sc(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)cc12 10080845 IVRFHBWUSMEHOJ-UHFFFAOYSA-N 356.451 3.790 0 40 FHAB Cc1cc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)no1 58190943 OHRVXAAPHKGOTQ-CYBMUJFWSA-N 371.372 3.584 0 40 FHAB Cc1ccccc1-c1noc(CCC(=O)NCc2ccccc2Cl)n1 44842170 VKXZEOSRCAPIDH-UHFFFAOYSA-N 355.825 3.947 0 40 FHAB CNC[C@H]1CC[C@H](c2cc(CN(C)Cc3ccccc3OC)n(C)n2)CC1 100687706 XKKBWNQHNUYXCZ-HDICACEKSA-N 370.541 3.554 0 40 FHAB Cc1ccc(C)c(OCCSc2nc3ccccc3n2CC(=O)O)c1 12627916 KORMGXMEBIRTOI-UHFFFAOYSA-N 356.447 3.909 0 40 FHAB O=C(NCc1ccc(N2CCCCC2)nc1)NCc1cc2ccccc2[nH]1 58296908 JNPGHOYJHVXXIT-UHFFFAOYSA-N 363.465 3.553 0 40 FHAB CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2nc(C3CC3)no2)c2ccccc21 58246827 ZEBMNEPNJYPDPU-GRDNDAEWSA-N 368.481 3.744 0 40 FHAB Cn1ncc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c1C1CC1 97163163 QFTCHJDXDMAQNS-UHFFFAOYSA-N 371.828 3.572 0 40 FHAB Cc1ccn(-c2ccccc2NC(=O)NCCN(C)C2CCCCC2)n1 97164738 MVQVFAVYXUJKBR-UHFFFAOYSA-N 355.486 3.567 0 40 FHAB Cc1nc2ccccc2nc1NC[C@H](c1cccc(F)c1)N1CCOCC1 58356472 BIHTUCXTOATEJY-HXUWFJFHSA-N 366.440 3.563 0 40 FHAB CCCn1cc(C(=O)N2CCCN(c3nccs3)CC2)c2ccccc21 58394182 FDMGWZCQCJPNQS-UHFFFAOYSA-N 368.506 3.860 0 40 FHAB O=C(Cc1noc2ccccc12)N1CCC(c2nc3ccccc3[nH]2)CC1 27999650 LCAFYQOKBUCUAW-UHFFFAOYSA-N 360.417 3.653 0 40 FHAB O=S(=O)(Nc1ccccc1OC(F)F)c1ccc(Cl)cc1F 3328143 ZHKWVAWDJQANJN-UHFFFAOYSA-N 351.733 3.881 0 40 FHAB O=C(CCOc1ccccc1)Nc1ccc(N2CCCC2=O)c(Cl)c1 11140183 VTFUWNSLCZSZEQ-UHFFFAOYSA-N 358.825 3.874 0 40 FHAB CC[C@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3ccc(C)cc3)N2C1=O 2487186 QUDMIHMBCSZIBD-WBVHZDCISA-N 372.490 3.985 0 40 FHAB COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)N(C)OC)cc1 12758758 ADNKBVABQNFIQW-UHFFFAOYSA-N 356.397 3.935 0 40 FHAB C[C@H]1CCCN(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1 45708962 ZFTLTYXFXYFMIX-ZDUSSCGKSA-N 370.419 3.511 0 40 FHAB Cc1ccc(C)c(C(=O)c2cccc(CN3CCC4(CC3)OCCO4)c2)c1 2515236 XLBVUFNRIBEUKI-UHFFFAOYSA-N 365.473 3.873 0 40 FHAB COC(=O)c1ccc(CNC(=O)Cc2csc(-c3ccsc3)n2)cc1 8769898 FRNJODZFVLXXGI-UHFFFAOYSA-N 372.471 3.517 0 40 FHAB CC[C@H]1CN(Cn2nc(-c3cccs3)n(C3CC3)c2=S)CCO1 12862603 DHQDXTNIUDXIMF-ZDUSSCGKSA-N 350.513 3.546 0 40 FHAB Cc1cc(C(=O)COC(=O)c2cc3ccccc3oc2=O)c(C)n1C1CC1 3410350 SROFRESVBCRAOR-UHFFFAOYSA-N 365.385 3.586 0 40 FHAB O=C(CN1CCCC1)N1N=C(c2ccco2)C[C@@H]1c1cccc(Cl)c1 97165245 NSAKXFRAHZRORK-QGZVFWFLSA-N 357.841 3.707 0 40 FHAB COc1ccc(NC(=O)[C@H](C)Sc2ccccc2C(=O)O)cc1OC 12978310 BWYJWJPHDPAGSZ-NSHDSACASA-N 361.419 3.521 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(F)c(Cl)c2)nc1 6024890 JYLDSTZHVICCKS-UHFFFAOYSA-N 358.822 3.697 0 40 FHAB COc1ccc(-c2nc(C)c3c(n2)sc2c(=O)n(C(C)C)cnc23)cc1 13723479 TUACUQUWPQKLJH-UHFFFAOYSA-N 366.446 3.966 0 40 FHAB COc1cc(C)c(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1OC 6258894 RUQDZKDYBAMCNZ-KRWDZBQOSA-N 371.433 3.822 0 40 FHAB COC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 8984947 MLHGKDCNEKKRSK-UHFFFAOYSA-N 361.445 3.790 0 40 FHAB Cc1ccc(N2C(=O)C[C@H](c3cccc(Cl)c3)C3=C2COC3=O)cc1 5204854 JMEFQUKVRVSHAL-MRXNPFEDSA-N 353.805 3.980 0 40 FHAB Cc1ccc([S@@](=O)CC(=O)c2cc(C)c(OC(=O)N(C)C)c(C)c2)cc1 5363581 WIROPUDMGLCPFX-AREMUKBSSA-N 373.474 3.663 0 40 FHAB COc1ccc2oc(C(=O)N3CCN(C)C[C@H]3c3ccccc3)c(C)c2c1 14158901 YJVNTCSESIFFHQ-IBGZPJMESA-N 364.445 3.879 0 40 FHAB CC(C)(C)c1csc(-c2ccc(Oc3ccc4nnnn4n3)cc2)n1 14197960 RVRZJYGDKZDRCW-UHFFFAOYSA-N 352.423 3.733 0 40 FHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccccc2O)cc1 14181225 UXXHNERRBVSFEB-UHFFFAOYSA-N 371.396 3.652 0 40 FHAB O=c1cc(CSc2ncnc3c2oc2ccccc23)nc2sccn12 9575348 NIEDSKDYTIILDM-UHFFFAOYSA-N 366.427 3.738 0 40 FHAB CC(C)[C@@H](C(=O)OCc1cc(=O)n2ccccc2n1)c1ccc(Cl)cc1 14759213 JHKAEYNIMBKHCY-LJQANCHMSA-N 370.836 3.831 0 40 FHAB COc1ccc(OCCN2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)cc1 4852008 NUGQLCKVBACONO-UHFFFAOYSA-N 373.408 3.622 0 40 FHAB CC1=C(C(=O)OCc2ccc(C)cc2)[C@H](c2cccc(F)c2F)CC(=O)N1 6820098 SKJDHDGZTOFJQX-INIZCTEOSA-N 371.383 3.894 0 40 FHAB O=C(CSc1nnc(C2CC2)n1C1CC1)N[C@@H]1CCCc2ccccc21 7191906 WSFCWFLSLHCAAZ-QGZVFWFLSA-N 368.506 3.776 0 40 FHAB CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3ccc(=O)oc3c2)cc1 7634432 OOJKZAUEYSBHCF-CYBMUJFWSA-N 353.374 3.598 0 40 FHAB O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 7609444 PIFJPIYCRFIAAT-QPRVAFDKSA-N 352.478 3.833 0 40 FHAB CS(=O)(=O)c1cccc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)c1 7943351 PGVRRSHCNKZQIF-CMDGGOBGSA-N 369.364 3.761 0 40 FHAB CC(=O)N(CCC(=O)N1C[C@@H](C)[C@H]1c1ccccc1)Cc1ccccc1 72303332 QYGROTYDDOSIDC-VGSWGCGISA-N 350.462 3.645 0 40 FHAB O=S(=O)(NC1(c2cccc(Br)c2)CCCCC1)C1CC1 84363385 FJQZESKADAPGKY-UHFFFAOYSA-N 358.301 3.690 0 40 FHAB C[C@H](NC(=O)CNC(=O)c1cccc(F)c1)c1cccc(Cl)c1Cl 95960199 HIWKSDRJEIMJJS-JTQLQIEISA-N 369.223 3.740 0 40 FHAB COc1cc(Cl)cc2c1O[C@H](C)C(=O)N(c1c(F)cccc1F)C2 75165557 KBOOBQSUGHMPTN-SECBINFHSA-N 353.752 3.941 0 40 FHAB CC(C)N(CCc1nccs1)C(=O)CC[C@H]1Cc2ccccc2NC1=O 89869597 AIEJLMRJEZUUBO-INIZCTEOSA-N 371.506 3.514 0 40 FHAB Cc1cc(C)c2c(-c3ccccc3)nc(S[C@@H]3CCCCNC3=O)n2n1 22202334 IYKGXVHEDPNGMF-MRXNPFEDSA-N 366.490 3.774 0 40 FHAB CN(C)Cc1ccc(-c2noc(Cc3cc(Cl)cc4c3OCC4)n2)cc1 544617049 KMMIPZSKMRQIFT-UHFFFAOYSA-N 369.852 3.977 0 40 FHAB Cc1ccnc(NC(=O)c2cc(=O)c(OCc3ccccc3Cl)c[nH]2)c1 61719431 ODSZUEZKXBCMCY-UHFFFAOYSA-N 369.808 3.563 0 40 FHAB CCSc1nsc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)n1 32593837 GNHJYTCSIPQSKF-UHFFFAOYSA-N 367.839 3.662 0 40 FHAB Cc1cccnc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C 409165437 YGHCPLNXFDWVAS-UHFFFAOYSA-N 373.869 3.570 0 40 FHAB COc1ccc(NC(=O)N[C@@H](CC(C)C)c2nnc3ccccn23)cc1 524733132 XIPLCUAUFLOJOO-INIZCTEOSA-N 353.426 3.647 0 40 FHAB Cc1nc(-c2ccc([C@H](C)NC(=O)[C@@H]3CCc4c[nH]nc4C3)cc2)cs1 525198961 ACUXMGQQAHICEI-BLLLJJGKSA-N 366.490 3.824 0 40 FHAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)N(CCOC)CCC2 35588040 RVHAKKCNAGCBHF-UHFFFAOYSA-N 354.450 3.737 0 40 FHAB O=C(COC(=O)[C@@H]1C[C@H]1c1ccco1)Nc1ccc(C(F)(F)F)cc1 128282938 CMVUGLOEEMXUQE-CHWSQXEVSA-N 353.296 3.584 0 40 FHAB C[C@H]1CCCN(C(=O)c2cc(-c3cccnc3)c(N3CCOCC3)s2)C1 72396911 CCMDKERFXWINKZ-HNNXBMFYSA-N 371.506 3.519 0 40 FHAB CCCNc1ncccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 72213143 MASZKNHNSVTUNI-SFHVURJKSA-N 359.495 3.738 0 40 FHAB CN(C)c1ccc(NC(=O)Cc2csc(COc3ccccc3)n2)cc1 33326297 CAZAFIINRZGGIN-UHFFFAOYSA-N 367.474 3.969 0 40 FHAB COc1ccc2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2c1 225881449 BVCGZFDKUDREBK-UHFFFAOYSA-N 353.443 3.595 0 40 FHAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NC1CCCCC1 224977371 MJQOCCYXAAFHNN-MRXNPFEDSA-N 360.498 3.661 0 40 FHAB COc1ccc(C(=O)N[C@@H]2CCC[C@@H](OC(=O)Nc3ccccc3)C2)cc1 75165842 IZBNSJPXAWJMHE-IEBWSBKVSA-N 368.433 3.985 0 40 FHAB Brc1ccc(CN2CCN(C[C@H]3C[C@@H]4C=C[C@@H]3C4)CC2)cc1 222205605 RYOUYIJYULFNQK-KZNAEPCWSA-N 361.327 3.779 0 40 FHAB C[C@@H](CCCC(C)(C)O)NC(=O)C1CCN(C[C@H](C)c2ccccc2)CC1 199423601 MTWFMTLOARDNDQ-OALUTQOASA-N 374.569 3.948 0 40 FHAB CC1(C)C(O)=Nc2ccc(C(=O)N3CCCCC[C@H]3c3ncon3)cc21 329935919 CVRJANJRJSXEIH-HNNXBMFYSA-N 354.410 3.706 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl 223636745 LGYSNQJYHGOSCB-MRXNPFEDSA-N 372.896 3.744 0 40 FHAB Cc1nn(C)cc1[C@@H]1SCC(O)=Nc2c1c(C)nn2-c1ccccc1 44917774 RTJLQSPBPHELOG-KRWDZBQOSA-N 353.451 3.647 0 40 FHAB Cc1cc(NC(=O)c2cccc(N)c2)c(C)cc1I 226269096 DKRMEENSUACRAQ-UHFFFAOYSA-N 366.202 3.743 0 40 FHAB Cc1c(C(=O)N2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)oc2ccccc12 96107725 BPKBJIQDJQUYSX-IERDGZPVSA-N 355.434 3.541 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3ccc4cc[nH]c4c3)n[nH]2)cc1OC 95473200 FQQUFOFSFPDBJX-UHFFFAOYSA-N 362.389 3.828 0 40 FHAB COc1cccc(N[C@@H]2COC3(CCN(Cc4csc(C)n4)CC3)C2)c1 96221402 OVUUCVRPUTZRKC-KRWDZBQOSA-N 373.522 3.696 0 40 FHAB CC(C)(CC(=O)N1CCO[C@]2(CCCOC2)C1)Cc1ccc(Cl)cc1 585082265 UUSNIGYNHSJSRJ-HXUWFJFHSA-N 365.901 3.707 0 40 FHAB Cn1cncc1-c1cc(CC2CCN(C(=O)c3cccs3)CC2)ccn1 257223846 DZELAQRDALYGMH-UHFFFAOYSA-N 366.490 3.639 0 40 FHAB CN1CCN(C(=O)c2ccn(-c3ccccc3Cl)n2)c2ccccc21 110476097 BVNOXADFDCGIAY-UHFFFAOYSA-N 352.825 3.622 0 40 FHAB O=C(NCCc1cccc(-c2ccccc2)c1)N1C[C@H]2CC[C@H]1[C@H](CO)C2 664434072 WTEHJIKHAGJMGM-NYVOZVTQSA-N 364.489 3.699 0 40 FHAB CC(C)Oc1cc(NC(=O)c2cscc2C(F)(F)F)ccc1C(N)=O 585114324 OWJPSPARTISFQO-UHFFFAOYSA-N 372.368 3.905 0 40 FHAB C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1CC1(CC(=O)O)CC1)OCCO3 581195826 IXEYRTCRVFOAGH-OAHLLOKOSA-N 371.477 3.901 0 40 FHAB Cc1cnc(OC2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc1 653803460 OYNZNIVEYVITLN-UHFFFAOYSA-N 351.372 3.847 0 40 FHAB Cc1cccc(CN2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)c1 1615123442 RJIQZDKOGYHDPF-HSZRJFAPSA-N 364.489 3.783 0 40 FHAB CC(C)c1ccc(NC(=O)CSc2nc(=O)[nH]c3c2CCCC3)cc1 5154272 IXJLYGDGTPCMOP-UHFFFAOYSA-N 357.479 3.503 0 40 FHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CCc2ccccc2)ccc1C 5443696 CATAORKEWNMOME-UHFFFAOYSA-N 374.506 3.597 0 40 FHAB COc1ccccc1C[C@@H](C)NC(=O)c1cc2ccccc2c(=O)s1 12196295 BFILQJOZMUYKBO-CYBMUJFWSA-N 353.443 3.631 0 40 FHAB Cc1ccc([C@H](NC(=O)[C@@H](C)Cn2cc(Cl)cn2)c2cccnc2)cc1 19136562 IYIFACMFHWVBBV-KXBFYZLASA-N 368.868 3.782 0 40 FHAB COc1ccc(OC)c(/C=C/C(=O)OCC(=O)c2ccc(Cl)s2)c1 6347377 TVHSGXAZXVCFQY-FPYGCLRLSA-N 366.822 3.858 0 40 FHAB COc1cc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)cc(OC)c1 5681622 VBKFKYUZRVNSDD-UHFFFAOYSA-N 351.786 3.627 0 40 FHAB O=S(=O)(NC[C@H](c1ccsc1)N1CCCC1)c1ccccc1Cl 8899602 FIGAMRCAPYIKSU-OAHLLOKOSA-N 370.927 3.517 0 40 FHAB Cc1ccn(-c2ccc(Nc3ccc(NC(=O)c4ccco4)cc3)nn2)n1 13009697 VQXUZGWMLDMLLX-UHFFFAOYSA-N 360.377 3.560 0 40 FHAB CSc1ccc2nc(N3C[C@@H]4CN(c5ccccn5)C[C@@H]4C3)sc2c1 2298100663 KMKLTAHBEAICPE-OKILXGFUSA-N 368.531 3.986 0 40 FHAB O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1cccc(Br)c1 4275948 OHNJYFGOXDBGQL-UHFFFAOYSA-N 362.158 3.891 0 40 FHAB O=C(Cc1csc(Nc2ccccc2)n1)Nc1ccc2c(c1)OCCO2 16850026 FEVPLZQZODSFBK-UHFFFAOYSA-N 367.430 3.839 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@H](c1ccccc1)c1ccccn1 30867697 ZOUOESMLQJBWDU-OAQYLSRUSA-N 369.424 3.960 0 40 FHAB O=C(CCc1cccc(Cl)c1Cl)Nc1ccc(-n2cncn2)nc1 31728591 GSKVNNXJKVMDCS-UHFFFAOYSA-N 362.220 3.540 0 40 FHAB COc1ccc(CNC(=O)Cn2ccc3ccc(Br)cc32)cc1 20737486 ZTYVBVSPZWCAEU-UHFFFAOYSA-N 373.250 3.729 0 40 FHAB COc1cc(OC)c(NC(=O)c2cccnc2N2CCCC2)cc1Cl 32738051 YQVPOYLWIBBZJL-UHFFFAOYSA-N 361.829 3.605 0 40 FHAB COCc1cccc(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)c1 32817121 JUCWSVCYDKJUQL-UHFFFAOYSA-N 373.474 3.802 0 40 FHAB O=C(Cc1ccc2c(c1)CCCC2)NCc1ccccc1Cn1ccnc1 32860035 NXPNSTOYKRWHRQ-UHFFFAOYSA-N 359.473 3.669 0 40 FHAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)Nc1nc(-c2ccccn2)cs1 102547727 TVTZJVSSCIRIFZ-RCRDTURJSA-N 369.490 3.865 0 40 FHAB Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 32910622 HSQKEOJSRHYZKY-JFIYKMOQSA-N 359.466 3.585 0 40 FHAB COc1cc2nncc(Sc3cnnc4ccccc34)c2cc1OC 1704369 GLCZFZHRPBGNBD-UHFFFAOYSA-N 350.403 3.741 0 40 FHAB COCc1ccccc1CNC(=O)[C@H](c1c(F)cccc1Cl)N(C)C 78869354 NLUOYGXCUBYNEF-SFHVURJKSA-N 364.848 3.545 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 673708 SNEFLNRDOZVCIS-UHFFFAOYSA-N 359.234 3.753 0 40 FHAB O=C(Nc1cc2cccnc2c2cccnc12)N(CCO)C1=CCCC=C1 6615509 SHSNARFVJGNKEZ-UHFFFAOYSA-N 360.417 3.843 0 40 FHAB CCN1C[C@H](CN(C)C(=O)c2cc(Cl)ccc2OC)Oc2ccccc21 7257236 SCBUSXFHWMRFAB-HNNXBMFYSA-N 374.868 3.708 0 40 FHAB CCCn1nnnc1NCc1cccc(OCC)c1OCc1ccccc1 7263457 IKBKDNIIFHHUKI-UHFFFAOYSA-N 367.453 3.673 0 40 FHAB C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N(C)Cc1ccc2c(c1)OCO2 7640503 SLLYFVBHMXNYAQ-NSHDSACASA-N 364.804 3.667 0 40 FHAB COc1ccc(CNC(=S)N[C@@H]2CCCOc3ccc(F)cc32)cc1 53534277 KZVXMTXOQGLAPC-QGZVFWFLSA-N 360.454 3.712 0 40 FHAB COc1ccc([C@@H](CNC(=O)[C@@]2(C)CC2(Cl)Cl)N2CCCC2)cc1 22620320 RIQJABGNJDSESL-NVXWUHKLSA-N 371.308 3.532 0 40 FHAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)C1 10640639 QNKQEPLAGJAFKE-GDBMZVCRSA-N 368.477 3.708 0 40 FHAB O=C(N[C@@H]1CCSc2ccccc21)c1ccc2c(O)[nH]c(=S)nc2c1 47109206 GUPFIRYZSLXFJC-CYBMUJFWSA-N 369.471 3.965 0 40 FHAB COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC 976527 MVHHNADSVFSLQE-UHFFFAOYSA-N 362.234 3.811 0 40 FHAB COc1cccc(NC(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)c1 37477361 RVMYKIPAAHCWTF-ICSRJNTNSA-N 351.450 3.843 0 40 FHAB CN1CCc2nc(NC(=O)CCc3ccc(-c4ccccc4)o3)sc2C1 23607615 BOMQCWGRIGHVHE-UHFFFAOYSA-N 367.474 3.962 0 40 FHAB Cn1ccnc1[C@@H](Nc1nccc(C(F)(F)F)n1)c1ccc(F)cc1 24055125 GJLFQPUTSIEBCP-ZDUSSCGKSA-N 351.307 3.570 0 40 FHAB CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1C[C@@H]1c1ccc(F)cc1 84200248 CPYWPUCBPCIDPW-BRWVUGGUSA-N 362.445 3.587 0 40 FHAB C[C@H](NC(=O)CCC(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2)[C@@H]1C[C@@H]2CC[C@@H]1C2 101708805 BFIMPPVMZHKIOV-ROJCJYFNSA-N 360.542 3.648 0 40 FHAB CCN(C(=O)c1cc(C)nc2c1c(C)nn2C)c1nc2ccccc2s1 26908850 KFPOVTWBUZHEAC-UHFFFAOYSA-N 365.462 3.862 0 40 FHAB COc1ccc(CCC(=O)NCCOc2ccccc2C(C)C)cc1OC 110509230 XZVHZHGBPPKUBZ-UHFFFAOYSA-N 371.477 3.955 0 40 FHAB CCc1nnsc1C(=O)Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1 58264937 LMXYMXRORKUGOX-UHFFFAOYSA-N 366.418 3.839 0 40 FHAB Cc1c([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)oc2ccccc12 58250700 YFTZABRDQGXHEZ-GDBMZVCRSA-N 354.450 3.567 0 40 FHAB Cc1cc(=O)n2c(n1)NC(Nc1ccccc1Cl)=N[C@@H]2[C@H]1CC=CCC1 10385357 ZHCDPSMJMLARQF-GUYCJALGSA-N 369.856 3.954 0 40 FHAB CC1(C)Cc2ccc(C(=O)Nc3cccc(Cn4cccn4)c3)c(O)c2O1 58332218 DRWVIYFNNCNRFP-UHFFFAOYSA-N 363.417 3.603 0 40 FHAB C[C@H](NC(=O)c1noc2c1CCCCC2)c1nc(-c2ccc(F)cc2)no1 97165952 SPZNIISKMBBDMX-NSHDSACASA-N 370.384 3.624 0 40 FHAB COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C)cc1 2238659 CQAWPAILYIBTDN-INIZCTEOSA-N 355.777 3.630 0 40 FHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 36412974 QIDQCLHDUIGVIJ-QEJZJMRPSA-N 372.387 3.539 0 40 FHAB CC(C)[C@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1cccs1 24317321 IVUNYUBBRSIEBA-FQEVSTJZSA-N 373.474 3.996 0 40 FHAB O=C(CSc1nc(C2CC2)n[nH]1)N[C@H](c1ccccc1)c1cccs1 11474406 WBMJCDDFSPJXCL-MRXNPFEDSA-N 370.503 3.742 0 40 FHAB CC(=O)c1ccc(NCC(=O)Nc2ccc(Br)cc2F)cc1 3376865 HWKGKMYLZJRMOD-UHFFFAOYSA-N 365.202 3.841 0 40 FHAB C[C@H](OC(=O)/C=C/c1ccco1)C(=O)Nc1cccc(C(F)(F)F)c1 3331803 CCDXWQZBKFBIGC-AEZGRPFRSA-N 353.296 3.882 0 40 FHAB CCOC(=O)c1sc(NC(=O)CN(C)[C@@H]2CCc3ccccc32)cc1C 29489310 GLCZBYVMJSQZSB-MRXNPFEDSA-N 372.490 3.791 0 40 FHAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H]1c1ccc(F)cc1 12764409 AOHHFADBZIEDSG-DNVCBOLYSA-N 370.424 3.804 0 40 FHAB CCOCCCNC(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1 12928661 LRKBSJLHJCLXRO-UHFFFAOYSA-N 365.433 3.868 0 40 FHAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccn2)c(OC)c1 8718336 GKQHVZZNJHVYIG-HXUWFJFHSA-N 361.401 3.870 0 40 FHAB O=C1C[C@H](c2nc(-c3cccs3)no2)CN1Cc1ccc(Cl)cc1 23114820 OIVIXDOFWHDYRM-LBPRGKRZSA-N 359.838 3.968 0 40 FHAB Cc1ccc(C(=O)O)cc1S(=O)(=O)N(Cc1ccco1)c1ccccc1 13248860 OAQLTZUQENQCQT-UHFFFAOYSA-N 371.414 3.682 0 40 FHAB CCN(CC)C(=O)[C@@H](Sc1nnc(-c2ccc[nH]2)o1)c1ccccc1 18367765 HZLYXSQVXPDCDV-HNNXBMFYSA-N 356.451 3.767 0 40 FHAB Cc1oc2cc3oc(=O)c(CC(=O)NCc4ccco4)c(C)c3cc2c1C 4084258 JIUQPSGZSWKRJB-UHFFFAOYSA-N 365.385 3.916 0 40 FHAB biogenic COc1ccc(N2C(=O)S/C(=C\c3cccc4nccnc34)C2=O)cc1 13732706 OMXPPZKIOFJPMX-WJDWOHSUSA-N 363.398 3.879 0 40 FHAB C[C@H](Sc1nnc2ccccn12)C(=O)Nc1cccc(C(F)(F)F)c1 6115257 HHRQPYWJVYAVCU-JTQLQIEISA-N 366.368 3.867 0 40 FHAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 4385086 ZLAIYWJYHLPPIH-CYBMUJFWSA-N 358.825 3.649 0 40 FHAB CC(C)NC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccco2)C12CCCC2 71281748 FLPXXBYKKLEZFL-LJQANCHMSA-N 366.461 3.857 0 40 FHAB COc1cc(OC)c(N[C@H](C)C(=O)Nc2ccccc2F)cc1Cl 9253188 UGMAWILKAJKNJB-SNVBAGLBSA-N 352.793 3.935 0 40 FHAB Cc1ccccc1CSc1nnc(NC(=O)c2snnc2C)s1 9250906 BTRBQEBEAIFEFF-UHFFFAOYSA-N 363.493 3.551 0 40 FHAB COc1cccc(OC)c1C(=O)OCC(=O)c1ccc2c(c1)CCCC2 7183590 MNHKFSHVBYVQNE-UHFFFAOYSA-N 354.402 3.622 0 40 FHAB COc1ccccc1-c1noc(CSc2nnc(-c3ccoc3C)o2)n1 7218801 JNEWJCASBGOAAT-UHFFFAOYSA-N 370.390 3.989 0 40 FHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Br)c(C)c1 7386601 WAUUIUFMXAUOKQ-UHFFFAOYSA-N 354.269 3.973 0 40 FHAB C[C@H](CNC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1)c1ccsc1 80608115 WRPNOZSZEHHQGH-SJKOYZFVSA-N 366.433 3.913 0 40 FHAB C[C@H](Sc1n[nH]c2nc3ccccc3n12)C(=O)N[C@@H](C)c1ccccc1 9318418 HGQURIAVLPZZKX-STQMWFEESA-N 365.462 3.569 0 40 FHAB O=C(CN1C(=O)CC2(CCCC2)C1=O)Nc1ccc(-c2ccccc2)cc1 9389383 RQIAHARPQZNHNL-UHFFFAOYSA-N 362.429 3.611 0 40 FHAB O=C(COC(=O)c1cccs1)c1ccc(NC(=O)c2ccco2)cc1 9387566 DZNXMXPETOWXDI-UHFFFAOYSA-N 355.371 3.633 0 40 FHAB CN(Cc1c(F)cccc1Cl)C(=O)/C=C/c1ccc2c(c1)OCCO2 7982934 MQUXKRAPBVGSAK-SOFGYWHQSA-N 361.800 3.922 0 40 FHAB Cc1noc(C)c1S(=O)(=O)N(Cc1ccc(F)cc1)C1CCCCC1 7989981 WZSPVWLIQOEDCR-UHFFFAOYSA-N 366.458 3.954 0 40 FHAB COc1ccc(CC[C@@H]2CCCCN2C(=O)c2cc(C)no2)cc1OC 84124162 JFNCHORMFWKPRD-INIZCTEOSA-N 358.438 3.628 0 40 FHAB O=C(NCc1ccccc1-n1ccnc1)[C@H]1C[C@H]1c1cccc(Cl)c1 84504756 LFNMTNLGFXSFNG-ROUUACIJSA-N 351.837 3.946 0 40 FHAB O=C(Nc1n[nH]c(-c2ccoc2)n1)c1ccc(C2SCCS2)cc1 95369313 JJQAPSBKFHCQDU-UHFFFAOYSA-N 358.448 3.796 0 40 FHAB O=C(/C=C/c1csc(-c2ccc(F)cc2)n1)N1CCC[C@H]2COCC[C@H]21 95410798 RJVRLQFJZYVXOX-BUSQMGNYSA-N 372.465 3.990 0 40 FHAB CC(C)(CNC(=O)OC(C)(C)C)NC(=O)Nc1ccccc1OC(F)F 75109430 QROHVKBWECCFBU-UHFFFAOYSA-N 373.400 3.713 0 40 FHAB CN(C(=O)Nc1nc(-c2cccnc2)cs1)[C@@H](CCO)c1ccccc1 75533344 SJSXZJCIDOPAMM-KRWDZBQOSA-N 368.462 3.793 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(F)cc2)cc1 409106958 NOOQDUHJDFNFKF-UHFFFAOYSA-N 356.426 3.754 0 40 FHAB O=c1ccc2cc(S(=O)(=O)Nc3cccc4ccccc34)ccc2o1 22902838 LKZPAEOJKXEBOT-UHFFFAOYSA-N 351.383 3.747 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C3CCCC3)cc2)cc1 20492771 WAMOGEYMJKCKCR-UHFFFAOYSA-N 372.490 3.810 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219498989 LOFVAYOWDMGKIY-GOEBONIOSA-N 355.434 3.881 0 40 FHAB Cc1[nH]nc(C(F)F)c1NC(=O)c1cccc(-c2noc(C3CC3)n2)c1 536107006 QSHZOPTWNJODEN-UHFFFAOYSA-N 359.336 3.835 0 40 FHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1nc(-c2ccccc2)no1 219325424 CTBIKZILYGSOEN-INIZCTEOSA-N 371.824 3.864 0 40 FHAB Cc1nccn1-c1ccccc1CNC(=O)CSCc1ccc(F)cc1 216406562 FCLAMVLYIQFRMJ-UHFFFAOYSA-N 369.465 3.869 0 40 FHAB Cc1cccc(Oc2nccnc2C2CCN(C(=O)c3cccnc3)CC2)c1 72362094 ASRAZVPXMBJEBF-UHFFFAOYSA-N 374.444 3.992 0 40 FHAB COc1ccc(-c2noc(CCC(=O)Nc3c(F)cccc3F)n2)cc1 71820165 KZZOOKOTXKVCMI-UHFFFAOYSA-N 359.332 3.595 0 40 FHAB COc1cccc(-c2nccnc2[C@H]2CCCN(Cc3ccccn3)C2)c1 72358618 GBJJGZLSGLXKLZ-SFHVURJKSA-N 360.461 3.927 0 40 FHAB COc1ccc(-c2cccc([C@@H]3CCCN(C(=O)c4cc[nH]n4)C3)n2)cc1 72349783 NSIRFLIRFZWRBB-MRXNPFEDSA-N 362.433 3.500 0 40 FHAB COc1ccc(CCNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)cc1 40119522 KWFYJXYGOZBAHT-UHFFFAOYSA-N 353.447 3.516 0 40 FHAB COc1ccc(OCCNC(=O)CSCc2ccccc2Cl)cc1 223403327 AICKJXCJIVQXEK-UHFFFAOYSA-N 365.882 3.777 0 40 FHAB CC(C)c1nccn1-c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 42696971 WIPBFCXUAFUVES-DLBZAZTESA-N 353.422 3.601 0 40 FHAB O=S(=O)(Cc1cccc(Cl)c1)Nc1ccc(N2CCCC2)cc1 224917254 DHGUZKOXADZENH-UHFFFAOYSA-N 350.871 3.882 0 40 FHAB CCSc1nnc(NS(=O)(=O)c2ccc3ccccc3c2)s1 41017519 KHKQNCFPGCWWLE-UHFFFAOYSA-N 351.478 3.604 0 40 FHAB COc1ccc(-c2noc(Cc3nnc(-c4cc(F)cc(F)c4)o3)n2)cc1 49405303 WNFIRPCZOFISSR-UHFFFAOYSA-N 370.315 3.664 0 40 FHAB O=C(CSCc1ccc(F)cc1)NCc1ccc(-n2ccnc2)cc1 44848352 XSOSCCWQWWZIGO-UHFFFAOYSA-N 355.438 3.561 0 40 FHAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)cc1 223407629 HFXNODBAXZXJRA-OALUTQOASA-N 365.458 3.856 0 40 FHAB COc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccc(C)cc3)s2)cc1 223529841 RYGZAMMOABNABX-CYBMUJFWSA-N 369.446 3.928 0 40 FHAB COc1ccc(COC[C@H](O)CN(Cc2ccccc2)[C@@H](C)C2CC2)cc1 195541361 WDTSVCNVMNPGFD-PGRDOPGGSA-N 369.505 3.873 0 40 FHAB O=C(Nc1ccccc1)[C@H]1CN(Cc2ccsc2)CC12CCOCC2 96052248 FCOXYCLYFWLNRY-GOSISDBHSA-N 356.491 3.615 0 40 FHAB C[C@H](C(=O)N(C)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1 533481332 WZIAOTJXGYQDCB-MRXNPFEDSA-N 360.461 3.704 0 40 FHAB CC(=O)[C@@]1(C)C[C@@H](c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)C1 254286909 UAFFAVUXABOUGU-PMACEKPBSA-N 357.475 3.726 0 40 FHAB CCOc1cc(CNc2ccc3ccn(C)c(=O)c3c2)c2c(c1)C[C@@H](C)O2 585081240 LZHIPSOGBIWUHR-CQSZACIVSA-N 364.445 3.873 0 40 FHAB CC/C(C)=C/C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1[C@H]2CCCC[C@H]21 1775990514 GSIQIMIBKVIXCW-NRRQMBFPSA-N 358.526 3.665 0 40 FHAB OC(c1ccccc1)(c1ccccc1)c1nnc(S)n1-c1ccccc1 1776004060 MIPMTFWXZDGFOZ-UHFFFAOYSA-N 359.454 3.840 0 40 FHAB O=S(=O)(CCc1cccc(F)c1)N(Cc1ccc(F)cc1)C1CC1 1659319191 LOEVSVXBGOESLJ-UHFFFAOYSA-N 351.418 3.502 0 40 FHAB CCc1csc(CC2CCN([C@@H](C(=O)O)c3ccccc3F)CC2)n1 656191480 XDNXACGPHJQFMM-GOSISDBHSA-N 362.470 3.925 0 40 FHAB Cc1nc(C)c(CNc2nccc(N[C@@H]3CCCO[C@H]3C(C)C)n2)s1 682392747 ZKRIAAQPUYBQTH-PBHICJAKSA-N 361.515 3.778 0 40 FHAB CC[C@@](CNS(=O)(=O)c1ccc(F)c(Cl)c1)(OC)c1ccccc1 96123776 WMVOPUCMTFWCQD-KRWDZBQOSA-N 371.861 3.709 0 40 FHAB O=C(c1cccc(OCc2ccccc2)c1)N1CC[C@@H](OCC2CC2)C1 390832280 YJLRZTFFAAZRBK-OAQYLSRUSA-N 351.446 3.907 0 40 FHAB O=C(c1ccc(C(F)(F)F)nc1)N1CC[C@H](c2ccc3c(c2)CCO3)C1 585148871 KGIIDVLOVCFNPY-HNNXBMFYSA-N 362.351 3.665 0 40 FHAB CCc1c[nH]ccc1=NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 509770173 IKLGUTYCVUYLBM-UHFFFAOYSA-N 366.442 3.818 0 40 FHAB COC(=O)c1c(C(F)(F)F)nc2c(F)cccc2c1Br 96171810 FTHKGQUGSZWYGB-UHFFFAOYSA-N 352.081 3.942 0 40 FHAB Cc1cc(C)c(S(=O)(=O)NCc2csc(-c3cccnc3)n2)c(C)c1 5151843 QLEXSVFLCZOTQJ-UHFFFAOYSA-N 373.503 3.609 0 40 FHAB O=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1ccc(Cl)cc1 5298172 WXSQMVRXCXOSLN-UHFFFAOYSA-N 356.731 3.884 0 40 FHAB Cc1cc(C)cc(OCCSCCN2C(=O)c3ccccc3C2=O)c1 12553053 MHPCUYHVGHXZEF-UHFFFAOYSA-N 355.459 3.712 0 40 FHAB CCc1onc(C)c1C(=O)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1 19521123 DFGHOAADIINNJE-INIZCTEOSA-N 365.437 3.698 0 40 FHAB COC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2C)ccc1Cl 156741368 PNAOFCDNBVAVLE-UHFFFAOYSA-N 353.827 3.544 0 40 FHAB O=C(O)c1ccc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)o1 226306504 DJYLCRZFYHVGNC-UHFFFAOYSA-N 361.350 3.585 0 40 FHAB Cc1cc2oc(=O)cc(CSc3nnnn3-c3ccccc3)c2cc1C 5035367 GKBVZAHBJARVLG-UHFFFAOYSA-N 364.430 3.678 0 40 FHAB C[C@H]1CCN(C(=O)COC(=O)c2ccc(F)cc2)c2ccccc2S1 5753980 AAOLKZGTYSBWGR-ZDUSSCGKSA-N 359.422 3.900 0 40 FHAB Cc1nc2c(c(N3CCC(c4noc5cc(F)ccc45)CC3)n1)CCC2 1888890934 GXHLUGYPQPWQDC-UHFFFAOYSA-N 352.413 3.938 0 40 FHAB CN(c1ncccc1C(F)(F)F)[C@H]1CCCN(C(=O)c2cccs2)C1 1889139103 JTXCERQKSGATLZ-LBPRGKRZSA-N 369.412 3.903 0 40 FHAB O=C(c1ccc(Cn2ccnc2)cc1)N1CC2(CC(c3ccccc3)C2)C1 1889271549 PYCSQRRBLMECTE-UHFFFAOYSA-N 357.457 3.951 0 40 FHAB Cc1cccc(O[C@H]2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)n1 238933328 VGXWLIGGSUKGOR-INIZCTEOSA-N 364.367 3.631 0 40 FHAB O=C(CCCn1nc(-c2ccccc2)ccc1=O)Nc1cccc(Cl)c1 11693280 VFDBJBYSLKEDAY-UHFFFAOYSA-N 367.836 3.983 0 40 FHAB CCCN(CCC)S(=O)(=O)c1ccc(Br)c(OCC)c1 4667048 FZUQLDHEAGLUCQ-UHFFFAOYSA-N 364.305 3.659 0 40 FHAB CCOC(=O)N1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 20146320 SXUVGDVKTKVIGG-UHFFFAOYSA-N 354.450 3.540 0 40 FHAB Cc1ccc(-n2ncc3c(NCc4cccnc4)ncnc32)cc1Cl 20661964 ZQIVRUPZQCCDBI-UHFFFAOYSA-N 350.813 3.784 0 40 FHAB COCCN(Cc1cccs1)S(=O)(=O)C1=Cc2ccccc2CC1 32724464 LRDANESFEVBHDT-UHFFFAOYSA-N 363.504 3.514 0 40 FHAB CCC(=O)N1CCc2cc(C(=O)Nc3cccc(-c4ccn[nH]4)c3)ccc21 52565876 WNBNJAFZWWFHSL-UHFFFAOYSA-N 360.417 3.628 0 40 FHAB O=C(CCCSc1nc2ccccc2s1)OCC(=O)c1ccc[nH]1 2624257 QHIURKYDZGECHZ-UHFFFAOYSA-N 360.460 3.923 0 40 FHAB COC(=O)c1cc(Cn2c(-c3cscn3)nc3ccccc32)oc1C 2640097 UYCSIDHRXNRDBB-UHFFFAOYSA-N 353.403 3.896 0 40 FHAB Nc1nc(-c2cc(-c3cccs3)nc(N)n2)cc(-c2cccs2)n1 1588437 LMTBWROIKGYUTA-UHFFFAOYSA-N 352.448 3.555 0 40 FHAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(-c2nccs2)cc1 8734131 PXLCZPIEQHSRLG-UHFFFAOYSA-N 352.415 3.763 0 40 FHAB CCn1c(-c2ccccc2)c(C(=O)CN2CCN(C)CC2)c2ccccc21 22038468 RIYLBKLJVMSITG-UHFFFAOYSA-N 361.489 3.758 0 40 FHAB CCn1nc(NC(=O)COc2cccc(C)c2)c2cc3ccccc3nc21 4502260 AJJFLINPVOKSDO-UHFFFAOYSA-N 360.417 3.930 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)OCCOc2ccccc2Cl)c1C 4549592 QNFYQBBWSXQGDC-UHFFFAOYSA-N 365.813 3.697 0 40 FHAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)CSc1nnnn1-c1ccccc1 4829080 GZMSBOHTKFHPNA-BHYGNILZSA-N 374.510 3.758 0 40 FHAB O=C(COC(=O)c1ccc(O)cc1O)c1ccc2c(c1)-c1ccccc1C2 6080884 NUCMQTWCPMGANM-UHFFFAOYSA-N 360.365 3.709 0 40 FHAB Cc1sc2ncn(CC(=O)OC(C)(C)C)c(=O)c2c1-c1ccccc1 7537516 GWJQTRGWEANHHV-UHFFFAOYSA-N 356.447 3.775 0 40 FHAB Cc1ccc(C(=O)NC(C)C)cc1S(=O)(=O)Nc1cccc(C)c1C 108040792 DNEYCMWJEFTZHT-UHFFFAOYSA-N 360.479 3.551 0 40 FHAB Cc1cc(-c2nn3c(CSc4ccc(Cl)cc4)nnc3s2)[nH]n1 22504299 NUUCCKCLKAPVOW-UHFFFAOYSA-N 362.871 3.830 0 40 FHAB COc1cc(CC(=O)OCc2cc(Cl)c3c(c2)OCCO3)ccc1C 22696143 FEIRSTFUDHVMLN-UHFFFAOYSA-N 362.809 3.714 0 40 FHAB Cc1ccc(N2CCN(CC(=O)Nc3cc(F)ccc3C)CC2)c(C)c1 57720255 WZXRGPQXEPJDLR-UHFFFAOYSA-N 355.457 3.512 0 40 FHAB COc1cccc(OC)c1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 8470215 IJNJDIUIGODZKX-UHFFFAOYSA-N 368.433 3.582 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C)cc1 8478105 ANAHYNKWXFLEDR-CVEARBPZSA-N 354.450 3.929 0 40 FHAB NC(=O)Cc1ccccc1NC(=O)N(Cc1ccc(Cl)cc1)C1CC1 47518209 QZEUZFNENDQYAV-UHFFFAOYSA-N 357.841 3.564 0 40 FHAB CCOC(=O)c1ccsc1NC(=O)CN[C@@H](C)c1ccc(Cl)cc1 12553290 RXMMBAKPBLSWPG-NSHDSACASA-N 366.870 3.868 0 40 FHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1F 9903428 AYWDIQVAHUDIKI-UHFFFAOYSA-N 370.405 3.879 0 40 FHAB CCCOc1cc2c(cc1CN1[C@@H]3CC[C@@H]1c1cccnc1C3)OCO2 100198500 XTBLWILFXPGAGI-CRAIPNDOSA-N 352.434 3.861 0 40 FHAB Cc1cnc2c(S(=O)(=O)N(C)Cc3ccc(F)c(F)c3)cccc2c1 12537541 NPALDEAEQFXUMS-UHFFFAOYSA-N 362.401 3.642 0 40 FHAB Cc1nc(NC(=O)c2ccc3[nH]cnc3c2)sc1-c1nccn1C(F)F 24924712 AYZYEVQQHVMBRV-UHFFFAOYSA-N 374.376 3.839 0 40 FHAB COc1ccc(OC(F)F)c(NC(=O)NCCc2ccccc2OC)c1 47921131 UDUKYIUWKSXGHC-UHFFFAOYSA-N 366.364 3.669 0 40 FHAB Cc1ccccc1OCCN(C)c1ccc(S(=O)(=O)C(F)F)cc1 59266255 NMDNQQOYWLDVSZ-UHFFFAOYSA-N 355.406 3.507 0 40 FHAB FC(F)(F)c1cccc(OC[C@H]2[C@@H]3CC[C@H](C3)N2Cc2ncc[nH]2)c1 100112716 CIKIFAOMCMDUHU-XPKDYRNWSA-N 351.372 3.860 0 40 FHAB Cc1ccc(-c2csc3nc(CN4C[C@H](C)O[C@H](C)C4)[nH]c(=O)c23)cc1 25388574 IAYLMDNWTIIIAL-OKILXGFUSA-N 369.490 3.569 0 40 FHAB C[C@]12CC3CC(C(=O)Nc4cccc(-c5nnn[nH]5)c4)(C1)C[C@](C)(C3)C2 102608250 MCGRYYFWPHUMFL-QEJKFARNSA-N 351.454 3.802 0 40 FHAB CC(C)c1ccc(CN2CCN(C[C@@H](O)c3ccccc3F)CC2)cc1 26904520 WDZCBGGQBDLGOU-JOCHJYFZSA-N 356.485 3.800 0 40 FHAB Cc1nc2cc(NC(=O)COCc3nc4ccccc4s3)ccc2o1 29473443 QTRMDXMGFTYDMP-UHFFFAOYSA-N 353.403 3.901 0 40 FHAB CN(Cc1c(F)cccc1Cl)C(=O)Cc1cnn(-c2ccccc2)c1 58065708 MKCYVLQOXZZQPC-UHFFFAOYSA-N 357.816 3.866 0 40 FHAB CC(C)[C@@H](C)NC(=O)CSc1nnc(COc2ccccc2Cl)o1 3343703 ZUECSQDWAUCTEX-LLVKDONJSA-N 369.874 3.555 0 40 FHAB COc1cc(OC)c(C2=CCN(C(=O)Cc3ccsc3)CC2)c(OC)c1 12783583 LYQUFLFHHSPCSM-UHFFFAOYSA-N 373.474 3.632 0 40 FHAB Cc1ccc(-c2nn3c(-c4ccc(Br)cc4)nnc3s2)cn1 10311557 GZUFLHKMBZQCOV-UHFFFAOYSA-N 372.251 3.986 0 40 FHAB O=C(OCc1cc(Cl)c2c(c1)OCO2)c1cncc(Br)c1 24954052 DSALUDGWCBSHMF-UHFFFAOYSA-N 370.586 3.583 0 40 FHAB CCOc1cc2c(cc1NS(=O)(=O)c1ccc(C)s1)O[C@@H](C)C2 36398170 QXFMOTFZPJAKID-JTQLQIEISA-N 353.465 3.579 0 40 FHAB C[C@H](SC1=Nc2ccccc2CS1)C(=O)NC(=O)NC(C)(C)C 12885584 UKLYQYRJZLFNEX-JTQLQIEISA-N 351.497 3.667 0 40 FHAB Cc1ccccc1OCCCC(=O)NCc1ccc(Cn2cccn2)cc1 12880676 QTSXGMWMNJNNCH-UHFFFAOYSA-N 363.461 3.715 0 40 FHAB Cc1ccccc1C(=O)N[C@H](C(=O)Nc1nc2c(s1)CCCC2)C(C)C 3421599 KKWXDPSDTQJNJB-KRWDZBQOSA-N 371.506 3.723 0 40 FHAB Cc1ccc(S(=O)(=O)[C@H](C)N2C(=O)N(C)[C@@H](C)[C@@H]2c2ccccc2)cc1 4085589 LCWJHQHSRNGRNU-FRQCXROJSA-N 372.490 3.612 0 40 FHAB O=C(CN(Cc1ccco1)C(=O)c1ccc(F)cc1F)Nc1ccccc1 8884045 SVPRXMXJDOJJLI-UHFFFAOYSA-N 370.355 3.839 0 40 FHAB c1ccc(CCNCc2cccc(Oc3nnnn3-c3ccccc3)c2)cc1 13717632 KVFJUYNGQCAMHH-UHFFFAOYSA-N 371.444 3.787 0 40 FHAB Cc1nn(CC(C)C)c(Cl)c1C(=O)O[C@@H](C)C(=O)Nc1ccccc1 6164965 BAKKVYJMCVFBLD-ZDUSSCGKSA-N 363.845 3.685 0 40 FHAB COC(=O)[C@](C)(NC(=O)c1cc(C)nc2cc(F)ccc12)c1ccccc1 65591064 CVMJFDHAKNRZOJ-OAQYLSRUSA-N 366.392 3.501 0 40 FHAB CC1=C(C(=O)OCC(C)C)[C@@H](c2cccs2)N2C(=O)[C@@H](C)SC2=N1 6454966 GCMKKOVMTIAZBL-BXUZGUMPSA-N 364.492 3.596 0 40 FHAB Cc1ccc([C@@H](NC(=O)CN(C)Cc2ccco2)c2cccs2)cc1 14140196 RHCWSXUMYFDLIZ-HXUWFJFHSA-N 354.475 3.987 0 40 FHAB COc1cc(/C=C2\SC(=O)NC2=O)ccc1OCc1ccc(F)cc1 4695952 LBUZJPHDSSSZBL-SXGWCWSVSA-N 359.378 3.737 0 40 FHAB CCCN1C(=O)[C@@](O)([C@@H](C)C(=O)c2ccc(Cl)cc2)c2ccccc21 4724182 NVUAHCRZARSCNP-RNODOKPDSA-N 357.837 3.803 0 40 FHAB CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)Nc3nccs3)c12 6755977 QBWBUFCCFLKPKJ-UHFFFAOYSA-N 372.446 3.918 0 40 FHAB C[C@H](NC(=O)[C@@H](C)Sc1cccc[n+]1[O-])c1ccc(Cl)cc1Cl 5780175 BJUXXMWNBKVURX-WDEREUQCSA-N 371.289 3.985 0 40 FHAB O=c1c2sccc2n(Cc2ccccc2Cl)c(=O)n1-c1ccccc1 4882219 CCRGPIMWJUFDCY-UHFFFAOYSA-N 368.845 3.916 0 40 FHAB COc1ccc(-c2cc3c(N4CCCCCC4)nccn3n2)cc1OC 67285302 GJIPCRGMRSMSIJ-UHFFFAOYSA-N 352.438 3.794 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccc(NC(C)=O)cc1 7221599 AUYXIGMGPCPRKL-NSHDSACASA-N 361.829 3.746 0 40 FHAB C[C@H](NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1)c1ccco1 7229919 IMRMMXAJUSFODX-ZDUSSCGKSA-N 368.462 3.707 0 40 FHAB O=C(Nc1ccccc1Cc1ccccc1)c1ccccc1-n1cnnn1 7344689 CVZMTSVDLKJSCL-UHFFFAOYSA-N 355.401 3.505 0 40 FHAB CC(C)(C)OC(=O)N1CCC(NCc2ccc(Br)cc2)CC1 67800488 FIMXQBKKMLARJD-UHFFFAOYSA-N 369.303 3.938 0 40 FHAB C[C@@H](Sc1nnc(Nc2cccc(F)c2)s1)C(=O)N1CCCC1 7577205 VSELYBOITXAVCK-SNVBAGLBSA-N 352.460 3.524 0 40 FHAB Cn1c(SCc2cc(Cl)c3c(c2)OCCO3)nnc1-c1ccco1 7989609 XPMQBXSXILLDKT-UHFFFAOYSA-N 363.826 3.792 0 40 FHAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)NC1CCCCC1 7986402 ZUBPRAUFFYBYHL-UHFFFAOYSA-N 373.503 3.635 0 40 FHAB COC1CCN(CC(=O)Nc2ccccc2Oc2ccc(C)cc2)CC1 9336043 MDRJIEAMAAOXAQ-UHFFFAOYSA-N 354.450 3.837 0 40 FHAB Cc1cccc(N(CCC(N)=O)C(=O)c2cc3ccc(F)cc3nc2C)c1 69325280 URWZMUXJFCAEDB-UHFFFAOYSA-N 365.408 3.513 0 40 FHAB CCc1cc2c(SCC(=O)Nc3ccnn3C(C)C)ncnc2s1 8391074 QUGWKHPALQOVKI-UHFFFAOYSA-N 361.496 3.762 0 40 FHAB CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1ccc(-n2cccn2)cc1 95463169 FVFQEIWXNQPWLQ-IFXJQAMLSA-N 353.397 3.517 0 40 FHAB Cc1ccc(-c2nc(CC(=O)N3CC[C@H](C(C)(C)C)[C@@H](O)C3)cs2)o1 95464978 BRNCFUSBNAJOPV-GJZGRUSLSA-N 362.495 3.510 0 40 FHAB Cc1nc2ccc(C(=O)NCc3cc(-c4ccccc4)on3)cc2nc1C 89556210 LQNXLSSYDYVDAT-UHFFFAOYSA-N 358.401 3.832 0 40 FHAB CCN(C(=O)[C@@H](C)Oc1cccc(F)c1)c1nnc(C)c2ccccc12 89969421 QOWOUEKYMHIJRR-CQSZACIVSA-N 353.397 3.898 0 40 FHAB CC(C)c1ccccc1OC[C@H](O)CN1CCN(c2ccccc2F)CC1 28295294 JQJXRRKGMGEABU-GOSISDBHSA-N 372.484 3.511 0 40 FHAB CC(C)(C)c1ccc(OCCNC(=O)c2ccc3c(c2)OCCO3)cc1 69767614 QFCDALPPASPCKD-UHFFFAOYSA-N 355.434 3.564 0 40 FHAB COc1ccc([C@@H](C)NC(=O)c2cc3cccc(OC)c3o2)cc1OC 44844076 AEOSMHHJQNJAGF-GFCCVEGCSA-N 355.390 3.950 0 40 FHAB Cc1cccc2cc3c(nc12)OCCN(CCc1ccc2c(c1)OCO2)C3 72392269 PGOIGAGSRUGMKA-UHFFFAOYSA-N 362.429 3.709 0 40 FHAB O=C(O)CCCCCNC(=O)c1cc(-c2ccncc2)nc2ccccc12 72401243 SGLXRFGKIHGRAS-UHFFFAOYSA-N 363.417 3.672 0 40 FHAB O=C(Nc1nc2c(s1)CN(C(=O)[C@@H]1CC=CCC1)CC2)c1cccs1 70638648 VNYGZCOUPDOALQ-GFCCVEGCSA-N 373.503 3.698 0 40 FHAB COc1ccc(NC(=S)NCCCOC2CCCCC2)cc1OC 225617062 LGWIDIJDJQBGJV-UHFFFAOYSA-N 352.500 3.730 0 40 FHAB COC(=O)c1cc(NC(=O)C2(OC)CCCCC2)ccc1OCC(C)C 225805082 BMBRWXCOYWTWHD-UHFFFAOYSA-N 363.454 3.796 0 40 FHAB N[C@@H](C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C(=O)O)cc1 85477425 JCXZNKVSMGYIGD-OAQYLSRUSA-N 373.408 3.740 0 40 FHAB COc1ccc(C)cc1NC(=O)CCc1nc(-c2ccccc2C)no1 225816161 WKKZWNRQQOSZSZ-UHFFFAOYSA-N 351.406 3.933 0 40 FHAB Cc1ccc(CCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C 223890907 UQZRGKYXZUHOSS-MRXNPFEDSA-N 359.491 3.517 0 40 FHAB COc1ccc(CNC(=O)CCc2ncc(-c3cccc(OC)c3)o2)cc1 224843453 CFKANWQMBVPGOF-UHFFFAOYSA-N 366.417 3.608 0 40 FHAB C[C@@H]1CN(c2cccc(Cl)c2)CCN1C(=O)c1c[nH]c2ncccc12 578540625 GRWKYZZRWSBQEU-CYBMUJFWSA-N 354.841 3.567 0 40 FHAB O=C1OC(c2ccc(N3CCCC3=O)cc2)=N/C1=C/c1ccc(Cl)cc1 97998207 BZSSUISSJZPZHE-SFQUDFHCSA-N 366.804 3.811 0 40 FHAB COc1cccc(Cc2cnc([C@H]3CCN(Cc4cscn4)C3)o2)c1 257297808 RIWLMJAEIGPTEP-HNNXBMFYSA-N 355.463 3.720 0 40 FHAB O=C(N=c1[nH]nc(Cc2ccccc2F)s1)NC/C=C/c1ccccc1 539788522 GDZFRLFAGFMXPC-RMKNXTFCSA-N 368.437 3.525 0 40 FHAB O=C(Nc1nccs1)c1cccc([C@@H]2CCCN2Cc2cncs2)n1 257281930 ORNSLNPDIKPFLS-HNNXBMFYSA-N 371.491 3.584 0 40 FHAB COc1ncccc1C(=O)N1CCC[C@@H](Cc2ccnc3ccccc23)C1 257228960 FVZWFINOMRQFBL-INIZCTEOSA-N 361.445 3.733 0 40 FHAB CC[C@H](C)[C@@H](C)C(=O)N(C)CCN(C)C(=O)C12CC(C(C)(C)C)(C1)C2 1615612331 WPOUWAQMINLSAO-QIRGFQQVSA-N 350.547 3.802 0 40 FHAB COc1ccc2c(c1)N(S(=O)(=O)Cc1cccc3cccnc13)CCC2 585094207 PZYYAHWZPNALOF-UHFFFAOYSA-N 368.458 3.526 0 40 FHAB Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(Cn3cccn3)cc2)cc1 55632739 ZPDLDYVYFKSIKX-SDNWHVSQSA-N 353.447 3.652 0 40 FHAB Cn1c(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)nc2ccccc21 60336864 RRHWFPVSAMVNRA-UHFFFAOYSA-N 359.216 3.638 0 40 FHAB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccco3)C2=O)c1 8169639 LBXMFWKPEWVVGZ-NTEUORMPSA-N 374.443 3.677 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)CSC(=S)N2CCCC2)c1 11392401 WDUFOEPRKRXDGE-UHFFFAOYSA-N 368.524 3.536 0 40 FHAB COc1ccc(CN2CCCC[C@@H]2c2cc3nc(C)c(C)c(O)n3n2)cc1 12337781 OCSMFQOAUVRYOP-LJQANCHMSA-N 366.465 3.788 0 40 FHAB CCc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=C1\SC(=O)NC1=O 12338913 CECRRJPNIQVAGG-BFBVWJMCSA-N 356.447 3.576 0 40 FHAB CC[C@H](CN1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 12362900 LTPYSCWDHASMKS-GOSISDBHSA-N 371.550 3.960 0 40 FHAB O=C(COc1ccc2c(c1)CCC2)N1CCC[C@H]1c1nc2ccccc2[nH]1 12539465 IFYOIUBIWMJOMZ-FQEVSTJZSA-N 361.445 3.794 0 40 FHAB O=C(C1CCCCC1)N1CCC[C@H](c2nc(O)cc(-c3ccncc3)n2)C1 13268226 RSQVUGPZYWQIAG-KRWDZBQOSA-N 366.465 3.531 0 40 FHAB CC[C@@H](C(=O)Nc1ccc(C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716089 QDUXXTHMAXDPFP-IBGZPJMESA-N 374.506 3.795 0 40 FHAB CCCc1ccc(S(=O)(=O)Nc2ccc(Cn3cccn3)cc2)cc1 14230791 YZIGTYMEFSPOQQ-UHFFFAOYSA-N 355.463 3.685 0 40 FHAB Cc1ccc(NC(=S)NC2CCN(C(=O)c3ccccc3)CC2)c(C)c1 16705135 YPFXAIZYBLNRFM-UHFFFAOYSA-N 367.518 3.895 0 40 FHAB Cn1ccnc1-c1nc(NCC2CCOCC2)ncc1-c1ccccc1F 19291635 CWEPUWZLBGDUKR-UHFFFAOYSA-N 367.428 3.522 0 40 FHAB CN(CC(=O)NC(C)(C)C)c1ncnc2scc(-c3ccccc3)c12 18057965 GLTXELZGSIPAKU-UHFFFAOYSA-N 354.479 3.709 0 40 FHAB COc1ccc(O[C@H](C)CNC(=O)c2oc3ccc(OC)cc3c2C)cc1 19565637 IFADYIYAQRGGHN-CYBMUJFWSA-N 369.417 3.956 0 40 FHAB O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)C1(c2cccs2)CCCC1 390827931 MFPJLTNYYYGHCQ-INIZCTEOSA-N 359.495 3.964 0 40 FHAB Cc1ccc(CN(C)CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)o1 29973507 QAUINTQFFOEDDW-UHFFFAOYSA-N 364.449 3.722 0 40 FHAB CCCC(=O)N1CCC(c2nnc(Cc3ccc(OC)cc3)s2)CC1 38666618 ABKMIOFXJGGJDC-UHFFFAOYSA-N 359.495 3.644 0 40 FHAB O=C(NN1C(=O)c2ccccc2N[C@@H]1c1ccccc1F)c1ccccc1 1438635 LUUPZMPAGPGGGT-IBGZPJMESA-N 361.376 3.737 0 40 FHAB Cc1cccc(-c2nc(CCNS(=O)(=O)c3ccccc3)cs2)c1 4570697 UNYNVZZGFVCROW-UHFFFAOYSA-N 358.488 3.640 0 40 FHAB Cc1ccc(-c2ccc(OCCNC(=O)c3cccc(Cl)c3)nn2)cc1 7598581 ZZRLEBSYNCJFIM-UHFFFAOYSA-N 367.836 3.914 0 40 FHAB c1ccc2nc(N3CCC(COc4ccc(C5CC5)nn4)CC3)cnc2c1 1775966006 OPVGBXVVSVRMRN-UHFFFAOYSA-N 361.449 3.593 0 40 FHAB Fc1ccc(N2CCN(c3nccn4nc(-c5ccccc5)cc34)CC2)cc1 33266304 UBPZMEMYUXYSCQ-UHFFFAOYSA-N 373.435 3.862 0 40 FHAB O=C1OC2(CCN(C(=O)c3nc4ccccc4s3)CC2)c2ccccc21 206768741 IVSRBAFLHCMTDU-UHFFFAOYSA-N 364.426 3.598 0 40 FHAB Clc1ccc(CN2CCN(c3ccc(C4CC4)nn3)CC2)cc1Cl 575618399 BEOXEPUXJFBNMJ-UHFFFAOYSA-N 363.292 3.983 0 40 FHAB O=C(NCc1cccc2ccccc12)NC[C@]1(O)CCc2ccccc2C1 85560606 QFGQYGJRLIBFJR-QHCPKHFHSA-N 360.457 3.559 0 40 FHAB CN1C(=O)[C@]2(Nc3ccccc3C(=O)N2c2ccc(F)cc2)c2ccccc21 101649269 FHBLHXGONHBGMU-QFIPXVFZSA-N 373.387 3.727 0 40 FHAB CC(=O)Nc1ccc(CNC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc1 40141783 QDZLJQWMNBUYBQ-UHFFFAOYSA-N 356.470 3.650 0 40 FHAB Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3F)o2)cc1 32593546 FXVMRRFYSPUTIZ-UHFFFAOYSA-N 359.378 3.812 0 40 FHAB CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)o2)cc1 32593686 BCIBILUJTLPGEB-UHFFFAOYSA-N 371.414 3.763 0 40 FHAB NC(=O)Nc1ccc(CNC(=O)c2cc(C3CC3)nc3ccccc23)cc1 32899178 DDKDRWIPSVHZOE-UHFFFAOYSA-N 360.417 3.533 0 40 FHAB Cc1ccc(NC(=O)OC(C)(C)C)c(OCC(=O)N[C@@H](C)C(C)C)c1 72311144 RZRNIMSHTMEUFR-AWEZNQCLSA-N 350.459 3.882 0 40 FHAB CC(C)Oc1ccc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)cc1 2647670 BGNHLVSTZUQVCK-OAHLLOKOSA-N 353.418 3.608 0 40 FHAB CC(C)C[C@@H](NC(=O)COc1c(Cl)cc(Cl)cc1Cl)C(=O)O 1592991 NZNMMBDYSLJQOG-LLVKDONJSA-N 368.644 3.641 0 40 FHAB Cc1cc(C)c(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)c(C)c1 3328756 WELLYVBRSXVJIV-UHFFFAOYSA-N 372.534 3.555 0 40 FHAB O=S(=O)(Nc1cccc2ccccc12)c1ccc2c(c1)OCCCO2 7053583 LWBRJMIHPMTHLF-UHFFFAOYSA-N 355.415 3.802 0 40 FHAB Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 101615946 KZYZQVDZKFMKMI-HKWIRBFKSA-N 363.811 3.805 0 40 FHAB Cc1cc(Br)cc(Cl)c1OCC(=O)NCc1ccccn1 8289782 QBAHEUFYUFSIJC-UHFFFAOYSA-N 369.646 3.501 0 40 FHAB C[C@H](NC(=O)COC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1ccccc1 8389384 GIMMRHLMMVVQTM-KGLIPLIRSA-N 357.475 3.907 0 40 FHAB COc1ccc(/N=c2\scc(-c3ccc(OC)cc3)n2CCCO)cc1 22855781 HJLAMWHAHWLPQZ-MRCUWXFGSA-N 370.474 3.849 0 40 FHAB Cc1ccc(C)c2sc(NC(=O)c3cn(C)nc3C(F)(F)F)nc12 47207456 SRHQILSFHBFLOT-UHFFFAOYSA-N 354.357 3.918 0 40 FHAB COC(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 23552819 SRYJBQGBHFXVOQ-UHFFFAOYSA-N 353.325 3.801 0 40 FHAB O=C(c1cccs1)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1 21688205 OUQJKCJRDHRJBR-UHFFFAOYSA-N 369.515 3.830 0 40 FHAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)C1(C)C 24714392 MSVQPEVWVSTSNW-UYAOXDASSA-N 355.526 3.924 0 40 FHAB CC1(C)C[C@H]2C[C@](C)(CN2Cc2c(O)occ(CN3CCCCC3)c2=O)C1 100797369 BGMYQYRUPAWSIA-JTSKRJEESA-N 374.525 3.732 0 40 FHAB COc1ccccc1C(=O)CSc1nc(C)c(C)n1C[C@H]1CCCO1 12544702 RBUFUDCKKGPQAL-OAHLLOKOSA-N 360.479 3.663 0 40 FHAB Fc1cccc(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)c1F 100755982 MLWKHMSFEJGEQD-RDTXWAMCSA-N 356.420 3.617 0 40 FHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cccc2cccnc12 47982732 OMRXMYJFYAHQBP-UHFFFAOYSA-N 369.371 3.614 0 40 FHAB C[C@H](OC(=O)c1cn(C)c2ccccc12)C(=O)Nc1cccc2ncccc12 26738067 AVQJQJCNKUNJIG-AWEZNQCLSA-N 373.412 3.911 0 40 FHAB COc1ccc(CC(=O)NCCSc2ccc(Cl)cc2)cc1OC 20014182 UQEMPNFKVIODJI-UHFFFAOYSA-N 365.882 3.808 0 40 FHAB Cc1noc2nc(-c3ccccc3)cc(C(=O)NCCCOC(C)C)c12 35686485 OGFCEHNQGTVXNE-UHFFFAOYSA-N 353.422 3.743 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2nc(-c3ccccc3)c[nH]2)c1C 58201879 UCAOTTXPRURXPY-CYBMUJFWSA-N 350.422 3.715 0 40 FHAB O=C(Nc1ccc(-n2cccn2)nc1)NC1(c2ccc(F)cc2)CCCC1 58404027 MDPCSXRBHQKVOJ-UHFFFAOYSA-N 365.412 3.997 0 40 FHAB O=C(c1ccoc1)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccsc2)C1 48234184 PDHDURYLEXFXSU-WMLDXEAASA-N 358.463 3.557 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C(F)(F)F)c2)cc1 10514276 NDEIAAANMHIFDA-UHFFFAOYSA-N 372.368 3.773 0 40 FHAB CN(CCOc1ccccc1)C(=S)Nc1ccc(OC(F)F)cc1 3326582 LXMLOIRSOZXBQO-UHFFFAOYSA-N 352.406 3.996 0 40 FHAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccccc1F 12780156 RFVSPSRKSOBENA-UHFFFAOYSA-N 371.437 3.505 0 40 FHAB Cc1ccc(-c2csc(NC(=O)Cn3c(C)csc3=O)n2)c(C)c1 11357802 XHMRARYZISRRRZ-UHFFFAOYSA-N 359.476 3.597 0 40 FHAB C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1nnc2n1CCCCC2 29252638 WSNBIDOEQHIPBC-NSHDSACASA-N 352.360 3.514 0 40 FHAB O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H]1c1ccccc1 12946409 SLIOGSGCOQNPFB-MRXNPFEDSA-N 366.280 3.975 0 40 FHAB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1OC 13096124 GARHJOKQDUQQAD-ZDUSSCGKSA-N 362.857 3.816 0 40 FHAB CCOc1cc([C@H]2NC(=O)c3c(sc4c3CC[C@H](C)C4)N2)ccc1O 17086088 TWHVGKKCNNLKPP-BTDLBPIBSA-N 358.463 3.831 0 40 FHAB O=C(NCc1ccncc1)c1cc(-c2ccccc2)nn1-c1ccccc1 6045667 VTNBLKBIGLOFGR-UHFFFAOYSA-N 354.413 3.864 0 40 FHAB COc1ccc(-c2noc(CCC(=O)Nc3ccc(C)cc3)n2)cc1OC 4384096 RFMBFAFLUISEGM-UHFFFAOYSA-N 367.405 3.634 0 40 FHAB COc1cc([C@H]2CC(=O)Nc3[nH]nc(-c4ccc(Cl)cc4)c32)ccc1O 6239345 WDLQWKOUECBQGG-CYBMUJFWSA-N 369.808 3.918 0 40 FHAB NC(=O)c1ccccc1NC(=O)CSc1c(Cl)cccc1Cl 14084842 IZQODSFXGWHHDL-UHFFFAOYSA-N 355.246 3.823 0 40 FHAB COc1cccc(N2CCN(c3ncnc4c3[nH]c3ccccc34)C[C@H]2C)c1 6499394 PMQZKKLWAZWDDO-OAHLLOKOSA-N 373.460 3.835 0 40 FHAB O=C(Cn1cnc2c(sc3ccccc32)c1=O)Nc1cccc(Cl)c1 17201102 IIIRBTLIMBYWPZ-UHFFFAOYSA-N 369.833 3.903 0 40 FHAB C[S@](=O)c1ccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 14311943 PYCMFGFSISFDCS-HSZRJFAPSA-N 359.781 3.931 0 40 FHAB CC[C@@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 4601872 UKHKCXRCHNFQTA-CQSZACIVSA-N 354.450 3.575 0 40 FHAB Cc1[nH]nc(O)c1C(c1ccc(Cl)cc1Cl)c1c(O)n[nH]c1C 4600038 OMLYOMTXBSJBON-UHFFFAOYSA-N 353.209 3.648 0 40 FHAB O=C(Nc1ccc(Br)cn1)c1ccc(Br)s1 5571804 MEBRIRYQTJVRMW-UHFFFAOYSA-N 362.046 3.920 0 40 FHAB CCN(C(=O)CSc1nnc(-c2ccncc2)n1C1CC1)C1=CCCC1 17769027 YCCFURFIWFWXQG-UHFFFAOYSA-N 369.494 3.683 0 40 FHAB CCOc1ccc(OCC)c(S(=O)(=O)Oc2ccc(Cl)cc2)c1 4749163 FJELYBZBVCWCTM-UHFFFAOYSA-N 356.827 3.905 0 40 FHAB Cc1cc(C(=O)CSc2nnc(-c3ccco3)n2C)c(C)n1C1CC1 5864661 BUWRGMTVGMLUEE-UHFFFAOYSA-N 356.451 3.803 0 40 FHAB O=C(COC(=O)Cc1c(Cl)cccc1Cl)Nc1ccc(Cl)cn1 6942476 FOPFSKYJYRDHFZ-UHFFFAOYSA-N 373.623 3.766 0 40 FHAB C[C@@H](NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(F)cc1F 18015474 UIQJEEBDYGPHFG-CYBMUJFWSA-N 374.431 3.870 0 40 FHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(Cl)cc1Cl 7002137 ZUGOTZFETLHBQB-GFCCVEGCSA-N 352.217 3.905 0 40 FHAB C[C@@H](NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1ccco1 8709168 KCWJSLQZIJPWKI-OTYXRUKQSA-N 350.827 3.613 0 40 FHAB CCc1ccc(NC(=O)[C@@H](C)Nc2cc(OC)c(OC)c(OC)c2)cc1 7224087 YJDZDGPOGWOVLM-CYBMUJFWSA-N 358.438 3.714 0 40 FHAB CCOC(=O)c1sc(NC(=O)Cn2c(C)cc3ccccc32)nc1C 15608206 AVXMMRRVNWYYPU-UHFFFAOYSA-N 357.435 3.530 0 40 FHAB COc1ccc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)c(OC)c1 7418126 ZFDGJGIAFSBNFN-UHFFFAOYSA-N 374.780 3.764 0 40 FHAB Cc1cc(=O)c(C(=O)Nc2ccccc2)nn1-c1ccccc1C(F)(F)F 7755499 PHOXGMKUSZWQPU-UHFFFAOYSA-N 373.334 3.812 0 40 FHAB C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccn1 8747155 GSHKVNMDUWTAGZ-MRXNPFEDSA-N 369.428 3.820 0 40 FHAB CNC(=O)c1ccc(CN(C)C(=O)c2cc3cc(Cl)ccc3o2)cc1 7848868 YIRGVSYXCDLASF-UHFFFAOYSA-N 356.809 3.718 0 40 FHAB C[C@@H](CNC(=O)Nc1ccc2c(c1)OCCO2)c1nc2ccccc2s1 84638422 KXJVPQBRZNFOPM-LBPRGKRZSA-N 369.446 3.993 0 40 FHAB C[C@@H](NC(=O)Nc1cccnc1Cl)c1nc(-c2ccc(F)cc2)no1 84667754 GTAWPBROXLVAID-SECBINFHSA-N 361.764 3.807 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)c1ccccc1CSc1ncn[nH]1 9613984 AISIFCCPNFGJJN-ZDUSSCGKSA-N 368.462 3.597 0 40 FHAB COc1ccc(-c2nc(/C=C/C(=O)Nc3nnc(C)s3)cs2)cc1 9727178 DODWACAUTADRRT-VMPITWQZSA-N 358.448 3.631 0 40 FHAB C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1ccc2nsnc2c1 95456887 OHFXICPRZIIFHX-VBHSOAQHSA-N 353.447 3.682 0 40 FHAB COc1cc(C(=O)OCC(=O)c2ccc[nH]2)cc(Cl)c1OCC(C)C 9920809 LFEBZIMGVZBVHZ-UHFFFAOYSA-N 365.813 3.751 0 40 FHAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(SC)cc2)NC(=S)N1 408602604 CTUXYCGURAFSMG-HNNXBMFYSA-N 350.509 3.545 0 40 FHAB Cc1ccc(Nc2nn[nH]c2C(=O)NCCc2ccc(Cl)cc2)cc1C 67283977 IHPWVFDHARZUDQ-UHFFFAOYSA-N 369.856 3.791 0 40 FHAB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1F 409001347 HWKWQAVVGWAYLO-GOSISDBHSA-N 369.396 3.603 0 40 FHAB CCOc1ccccc1N(Cc1c(F)cccc1Cl)S(C)(=O)=O 408627801 PXQGGXCSOSUCAJ-UHFFFAOYSA-N 357.834 3.844 0 40 FHAB NC(=O)c1cccc(-c2cccc([C@H]3CCCN(Cc4ccccn4)C3)n2)c1 72348933 PXOOERRVDHRICJ-IBGZPJMESA-N 372.472 3.622 0 40 FHAB CCCc1ccc(C(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)cc1 70636377 RDPJXISMELGSCI-SFHVURJKSA-N 351.368 3.819 0 40 FHAB Cc1[nH]c2c(F)cccc2c1CCNS(=O)(=O)c1ccc(Cl)cc1 32648397 GKXKWWOFQYKVJM-UHFFFAOYSA-N 366.845 3.790 0 40 FHAB Fc1ccccc1Oc1nccnc1[C@H]1CCCN(C2CCOCC2)C1 72362851 RPLBQBYSCQGUDZ-HNNXBMFYSA-N 357.429 3.766 0 40 FHAB O=C(c1cnccn1)N1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 72349191 ZHDDPGPACADOAN-INIZCTEOSA-N 362.408 3.698 0 40 FHAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(OC)c1)c1ccc(OC)c(OC)c1 219307257 ZTASSKIFSWBBIN-RDTXWAMCSA-N 373.449 3.747 0 40 FHAB C[C@](O)(CNC(=O)c1cc(Br)ccc1Cl)c1ccccc1 70639643 BUHHHUIVNUEBMT-INIZCTEOSA-N 368.658 3.740 0 40 FHAB Cc1ccccc1OC[C@H](C)NC(=S)Nc1ccc2c(c1)OCCO2 138830839 PCZVFYTUXNBJDK-AWEZNQCLSA-N 358.463 3.520 0 40 FHAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1 225606285 IGACSAAESICJBK-UHFFFAOYSA-N 365.426 3.892 0 40 FHAB CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224895840 PZYLJWYVBOVZIN-UHFFFAOYSA-N 366.870 3.822 0 40 FHAB CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)cc1 222751368 LPKXATYMGNNWNU-ZWKOTPCHSA-N 352.438 3.614 0 40 FHAB COC(=O)c1ccc(F)c(NC(=O)N2CCC[C@@H]2c2cccc(OC)c2)c1 48109831 XWOVEFBIWFOEEG-GOSISDBHSA-N 372.396 3.990 0 40 FHAB CCOc1ccc(NC(=O)C2(C)COC(c3ccccc3OC)OC2)cc1 225921007 UUVGCEBASWAGQI-UHFFFAOYSA-N 371.433 3.784 0 40 FHAB O=C(c1cc(Br)c[nH]1)N1CCC(c2nc3ccccc3o2)CC1 48237678 OJTLTXFHIJHPEQ-UHFFFAOYSA-N 374.238 3.938 0 40 FHAB O=C(CCCCCn1sc2ccccc2c1=O)Nc1ccc(O)cc1 40267114 AMOTXNQOZWCAHX-UHFFFAOYSA-N 356.447 3.968 0 40 FHAB COc1ccc(S(=O)(=O)NCc2ccc(C(C)C)cc2)cc1Cl 223732325 AMTDLRWMYBURGA-UHFFFAOYSA-N 353.871 3.951 0 40 FHAB CC[C@@H](NC(=O)Cc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 225135996 GYRROTMJNCDTLT-QGZVFWFLSA-N 365.882 3.554 0 40 FHAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1cccc(C(F)(F)F)c1 225745232 XCZIAQIDQDORDZ-UHFFFAOYSA-N 360.335 3.967 0 40 FHAB O=C(c1ccc(F)cc1)N1C[C@H]2CCC[C@@H](OCc3cccnc3)[C@H]2C1 96182979 OBOYBZLATKNBMQ-YZGWKJHDSA-N 354.425 3.678 0 40 FHAB c1cnc(N2CCC3(CC2)C[C@@H](NCc2cccnc2)c2ccccc23)nc1 96241496 XYZHSNAHPRRQKC-OAQYLSRUSA-N 371.488 3.644 0 40 FHAB Cc1ccc(N2CCC(N(CC(=O)O)Cc3cccc(F)c3)CC2)cc1 257294611 QUXAXXVDQDDRHU-UHFFFAOYSA-N 356.441 3.690 0 40 FHAB CC(C)CO[C@@H](C)c1noc(CN(C)Cc2cc(O)ccc2Cl)n1 625204131 LOUIJPBKIBBMIN-LBPRGKRZSA-N 353.850 3.794 0 40 FHAB Cn1cc([C@@H](NC(=O)N[C@H]2CCCC23CCCCC3)C(F)(F)F)cn1 666903169 XYRMEOYGHPMQBQ-UONOGXRCSA-N 358.408 3.826 0 40 FHAB CC(C)[C@@H]1c2ccccc2CCN1C(=O)Cn1ccc2ccccc2c1=O 684148845 YOENCAACEKQVTJ-JOCHJYFZSA-N 360.457 3.784 0 40 FHAB O=C(NCCc1nc2cc(Cl)ccc2s1)c1cc2c(cn1)OCCC2 1320263915 DKKAYCATBZMFQJ-UHFFFAOYSA-N 373.865 3.642 0 40 FHAB Cc1ccc([C@H](CNC(=O)C2(c3cccs3)CCCC2)OCCO)cc1 96337795 QLCQPODYVIXOLX-SFHVURJKSA-N 373.518 3.735 0 40 FHAB O=C([C@@H](Nc1ccc2c(c1)OCCO2)c1ccccc1)N1CCCCC1 57935271 ZCZDLIMZNAZEIR-FQEVSTJZSA-N 352.434 3.624 0 40 FHAB Cc1nc2c3ccccc3nc(NC(C)(C)CCC(=O)OC(C)(C)C)n2n1 72307734 YKCSNFNGBPGUFH-UHFFFAOYSA-N 369.469 3.898 0 40 FHAB O=C1Cc2cc(NC(=O)[C@H](OC3CCCC3)c3ccccc3)ccc2N1 78703511 YSPRJMWRPQZQDS-HXUWFJFHSA-N 350.418 3.820 0 40 FHAB COc1ccc(C(=O)COC(=O)COc2ccc3ccccc3c2)cc1F 5187187 HHEBZUIAQKPYOW-UHFFFAOYSA-N 368.360 3.792 0 40 FHAB Cc1cc(C(=O)O[C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2n1 5356617 KMOXNHISFAWTLR-DHSIGJKJSA-N 354.450 3.783 0 40 FHAB CCC[C@H](NC(=O)c1ccc2nc(C)[nH]c2c1)c1ccc2c(c1)OCCO2 12147455 XXKXVCMJABMKBR-INIZCTEOSA-N 365.433 3.914 0 40 FHAB Cc1ccc(C)c(NC(=O)CSc2nnc(COc3ccccc3)o2)c1 12249410 VJXDRJBJIGPVDF-UHFFFAOYSA-N 369.446 3.996 0 40 FHAB O[C@@H](CN1CC=C(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 12330562 VLKIBWHKOJQQJN-FQEVSTJZSA-N 369.436 3.810 0 40 FHAB CCn1cc(Cn2c(=S)[nH]c3sc4c(c3c2=O)CCCCC4)cn1 17074321 BHXHFVIWAAFZDQ-UHFFFAOYSA-N 360.508 3.654 0 40 FHAB CC(C)Cc1cc(C(=O)N[C@@H](C)c2cc3cc(Cl)ccc3o2)nc(=O)[nH]1 19447477 NUGFYMQVCQQWTL-NSHDSACASA-N 373.840 3.859 0 40 FHAB CCc1cc(C(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)n(C)n1 19522171 ARTNVDCAWGFEIA-UHFFFAOYSA-N 373.460 3.896 0 40 FHAB CCN1CCC[C@H]1CN(Cc1cnc(SC)nc1)Cc1cccs1 19527208 MGPSTFITFIPPPK-INIZCTEOSA-N 362.568 3.747 0 40 FHAB CCN(C)[C@H]1CN(C(=O)c2ccc(NC(C)=O)cc2)C2(CCCCC2)C1 19704929 XRINXNSRRUSNGA-LJQANCHMSA-N 357.498 3.514 0 40 FHAB O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@@]1(O)CCc2ccccc21 159217457 CNHBJEZQXJKDBC-IBGZPJMESA-N 363.379 3.588 0 40 FHAB O=S(=O)(c1cccnc1)N1CCS[C@H](c2ccccc2Cl)CC1 207000842 FAPQWGIARFDFHB-INIZCTEOSA-N 368.911 3.604 0 40 FHAB Cc1noc(C2CCN([C@@H](C(=O)O)c3cccc(Cl)c3Cl)CC2)n1 574331416 BMACQPFBQGPPSW-CQSZACIVSA-N 370.236 3.690 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2nc(-c3ccccn3)cs2)c1C 9657215 QZSHHDRIQLZSFT-UHFFFAOYSA-N 370.434 3.579 0 40 FHAB COc1ccccc1OCC(=O)OCc1cc(=O)oc2c(C)c(C)ccc12 7795370 WIPPKKRTLFEQPX-UHFFFAOYSA-N 368.385 3.541 0 40 FHAB O=C(NC[C@@H]1CN(c2ccc(F)cc2)C(=O)O1)Nc1cccc(Cl)c1 8839306 FTGPWUYEFPANJD-OAHLLOKOSA-N 363.776 3.626 0 40 FHAB CCCN1CCCc2cc(CCNC(=O)c3ccc(OC)cc3)ccc21 11612954 RZFITJOJGSMSPH-UHFFFAOYSA-N 352.478 3.830 0 40 FHAB Cc1nc2cc(NC(=O)COc3ccnc4c3CCCC4)ccc2s1 207012803 WZCJCDUJEKJYCN-UHFFFAOYSA-N 353.447 3.896 0 40 FHAB O=C(NCc1cc(-c2ccc(F)cc2F)on1)c1c(F)cccc1F 38748104 JGIYRLSFGUAKRL-UHFFFAOYSA-N 350.271 3.828 0 40 FHAB Cc1cc(C(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)c(C)o1 43983120 NAILIBWBEXGAAC-UHFFFAOYSA-N 356.422 3.537 0 40 FHAB CCOC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 5564436 ZRNKNSQVRXGIJH-KRWDZBQOSA-N 355.365 3.597 0 40 FHAB CCOC(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 890766 VVWLGELVKVHASR-UHFFFAOYSA-N 360.332 3.957 0 40 FHAB O=C(CSCc1cccnc1)Nc1ccc(Br)cc1F 78762568 YJMFJVNLRPEQLB-UHFFFAOYSA-N 355.232 3.855 0 40 FHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Oc2ccccc2OC)CC1=O 7929356 JXECQXBDICPTHP-KRWDZBQOSA-N 367.445 3.779 0 40 FHAB CCCn1cc(-c2cc(O)n3nc(-c4cccc(OC)c4)c(C)c3n2)cn1 100733052 FMYUMIKROIYNSV-UHFFFAOYSA-N 363.421 3.692 0 40 FHAB CC(C)c1ccc([C@H]2CC(=O)Nc3c2c(=O)[nH]c2nc4ccccc4n32)cc1 12323625 CNTNOSXPPSKEDW-OAHLLOKOSA-N 372.428 3.773 0 40 FHAB Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C)cc1Cl 905566 VJFCDQPVHKHDOB-UHFFFAOYSA-N 373.865 3.626 0 40 FHAB Cc1noc(C)c1S(=O)(=O)N(Cc1cccs1)Cc1cccs1 23325198 FKLWFLMTSYCPKM-UHFFFAOYSA-N 368.505 3.806 0 40 FHAB O=C(O)C1=C[C@H](c2cccc(Br)c2)n2c(nc3ccccc32)N1 101100831 PYPNKZMNGOABQB-OAHLLOKOSA-N 370.206 3.782 0 40 FHAB C=C1c2ccccc2N=C(S[C@H](C)C(=O)/N=c2\cc[nH]n2C(C)C)N1C 105422776 KJMMEVSLUALWJT-PFKVCDDJSA-N 369.494 3.550 0 40 FHAB CN1CCN(Cc2ccccc2C(=O)c2ccc(C(F)(F)F)cc2)CC1 22028227 VVPDYJONODNUES-UHFFFAOYSA-N 362.395 3.684 0 40 FHAB CC(C)c1ccc(CCNC(=O)CSc2nc(C(C)(C)C)n[nH]2)cc1 25063521 ICICCRHDMIZGRQ-UHFFFAOYSA-N 360.527 3.677 0 40 FHAB C[C@H](NC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccc(F)c(F)c1 43874925 OYGLMEGNRRVJFP-NSHDSACASA-N 359.376 3.740 0 40 FHAB O=C(CSc1nc(Nc2ccccc2)c2ccccc2n1)NC1CC1 12523301 NRBSBPDPFMYYCM-UHFFFAOYSA-N 350.447 3.744 0 40 FHAB COc1cc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc(OC)c1 26342592 UGERNZXQGYEHDU-KRWDZBQOSA-N 357.406 3.514 0 40 FHAB C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)CC[C@H](NC(=O)c3ccccc3)[C@@H](C)[C@H]21 20466327 HZOOVAUKGSXUFK-IYGODTBCSA-N 355.478 3.809 0 40 FHAB biogenic,in-vitro COC(=O)c1ccccc1Nc1c(-c2cccs2)nc2cnccn12 35616036 MSAHVDWIKGFKOH-UHFFFAOYSA-N 350.403 3.988 0 40 FHAB O=C(NC1CCN(Cc2cccs2)CC1)NC12CC3CC(CC(C3)C1)C2 57530828 JDFJSTOYVLTFLF-UHFFFAOYSA-N 373.566 3.981 0 40 FHAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2ccccc2Cl)CC1 100809790 KQGYISKGCJAQNB-BETUJISGSA-N 352.862 3.906 0 40 FHAB COc1ccc(/C=C/C(=O)NCCc2c[nH]c3ccc(C)cc23)cc1OC 2137645 ABIAGKBDTATEQE-RMKNXTFCSA-N 364.445 3.866 0 40 FHAB biogenic Cc1csc(C2(NC(=O)[C@@H]3CSc4ccccc4O3)CCCC2)n1 84268190 JOSIIJXTGCRFKZ-AWEZNQCLSA-N 360.504 3.890 0 40 FHAB CC(C)N(Cc1cccnc1)C(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 58357227 HOVSYUKAMOGDCP-BEFAXECRSA-N 351.450 3.727 0 40 FHAB Fc1ccc(-n2ncc3c2ncn2c(-c4ccc(Cl)cc4)nnc32)cc1 2217561 RIOKOIWCDSRXMR-UHFFFAOYSA-N 364.771 3.923 0 40 FHAB Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)C3CCCC3)CC2)on1 100744046 OEIFUECYRQYLGI-IYBDPMFKSA-N 370.497 3.964 0 40 FHAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(C)c(F)c3)CC2=O)cc1 103717749 UCBLARYIKIYBQF-HNNXBMFYSA-N 370.424 3.915 0 40 FHAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1cc2ccccc2oc1=O 3369231 LQUJFUXBUJIKHF-UHFFFAOYSA-N 371.776 3.550 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cccc(Cl)c2C)c1C 3322509 YRKSWMOPJIVHNZ-UHFFFAOYSA-N 362.813 3.591 0 40 FHAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nncn2C)c2ccccc2)c1 3395114 XFXXMOBQJPXOMJ-KRWDZBQOSA-N 352.463 3.904 0 40 FHAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)NC[C@@H](C)c2ccccc2)CC1=O 408709294 ZCXIMBLSOOOKHH-PBHICJAKSA-N 370.880 3.921 0 40 FHAB CN(C)CCOc1ccc(CNC(=O)C2(c3cccc(Cl)c3)CC2)cc1 48354238 OFVZUEVXDPFHLH-UHFFFAOYSA-N 372.896 3.628 0 40 FHAB CC(C)(C)S(=O)(=O)c1ccc(N2CCc3c([nH]c4ccccc34)C2)cn1 301840735 PABZJUTZTVBKOL-UHFFFAOYSA-N 369.490 3.698 0 40 FHAB CC(=O)c1cccc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 3611205 VLMXCQNYFZPZFS-UHFFFAOYSA-N 353.296 3.805 0 40 FHAB COc1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 13004399 DDGPMCRDUKJTSQ-UHFFFAOYSA-N 368.458 3.655 0 40 FHAB CCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(C)=O)cc1 4312348 RNNYKUJCTPJRMZ-UHFFFAOYSA-N 350.418 3.788 0 40 FHAB CN(C(=O)Cn1c(CN2CCCCC2)nc2ccccc21)c1ccccc1 21783139 AAWQTHKIXYRLMR-UHFFFAOYSA-N 362.477 3.685 0 40 FHAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccncc1)N(c1cc(C)on1)C3=O 5324027 BZZHIPPGIZNMIY-SFHVURJKSA-N 373.368 3.543 0 40 FHAB CC(C)n1c(SCCC(N)=O)nnc1-c1ccc(Cl)cc1Cl 14163960 IWZLPLIZOHNGTO-UHFFFAOYSA-N 359.282 3.800 0 40 FHAB Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(C)c3ccc(Cl)cc32)cc1C 4556343 CBMLVYIKPWEXLQ-FQEVSTJZSA-N 357.837 3.702 0 40 FHAB COC(=O)c1ccc(CSc2nnc(-c3ccccc3OC)n2C)cc1 6559135 NHVWQXZLXRZKGE-UHFFFAOYSA-N 369.446 3.570 0 40 FHAB O=C(O)/C(=C\c1ccccc1)c1ccc(I)cc1 8731856 SHHWKJINWUZUIJ-UVTDQMKNSA-N 350.155 3.916 0 40 FHAB CCOc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1 8723223 ANVMKPRQRWFRJU-UHFFFAOYSA-N 364.401 3.861 0 40 FHAB Cc1ccc(NC(=O)COCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)cc1Cl 4681344 VESUGRZOBNUSRC-JDFRZJQESA-N 366.889 3.544 0 40 FHAB CCOC(=O)[C@@H]1C(=O)C[C@@](O)(c2ccc(Cl)cc2)C[C@H]1c1ccccc1 4900997 DDDMZQZGOCQJOC-HFSMHLIXSA-N 372.848 3.854 0 40 FHAB COc1ccc(CCNC(=S)NC23CC4CC(CC(C4)C2)C3)c(OC)c1 4915558 ZAWKWBWBSXSQPP-UHFFFAOYSA-N 374.550 3.679 0 40 FHAB Cc1nc(C(=O)Nc2ccccc2N2CCCC2)nn1-c1ccc(F)cc1 15203741 BOCIJXOVPAGNKN-UHFFFAOYSA-N 365.412 3.567 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc23)c1C 9315317 VNMFCYAPAWGNCL-ZDUSSCGKSA-N 352.390 3.744 0 40 FHAB O=C(Nc1cc(F)ccc1F)C1CCN(C(=O)c2cccs2)CC1 7787263 PCMYVPGJMVKENN-UHFFFAOYSA-N 350.390 3.517 0 40 FHAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2cc(C)cc(C)c2)CC1=O 7881893 DOHMZSADKFYEEI-CQSZACIVSA-N 372.852 3.957 0 40 FHAB CC(=O)c1ccccc1NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1 8092501 HJCOAIYPOJOWAJ-UHFFFAOYSA-N 364.367 3.979 0 40 FHAB Cc1cc(C)cc(OCCOC(=O)c2cncc(Br)c2)c1 16694877 CKLFBEKVYVMNGD-UHFFFAOYSA-N 350.212 3.697 0 40 FHAB Cc1cccc(NC(=O)Cn2nc(COc3ccccc3)oc2=S)c1 16768970 JJVRUPYPTPZTNZ-UHFFFAOYSA-N 355.419 3.732 0 40 FHAB CCO[C@@H](c1ccc(Br)cc1)[C@@H](NC)C(=O)c1ccccc1 61868583 HXBYRMFPYAGPJO-WMZOPIPTSA-N 362.267 3.998 0 40 FHAB Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@H](C)c1nc(C2CCCC2)no1 72303698 QVDQSJSHADYFOQ-CQSZACIVSA-N 373.501 3.616 0 40 FHAB c1ccc(C2(c3nnc(-c4ccc5c(c4)OCCO5)o3)CCOCC2)cc1 71889795 YMLYNMILPQJFTN-UHFFFAOYSA-N 364.401 3.604 0 40 FHAB O=C(c1csc(-c2cccs2)n1)n1ccc(=NCC(F)(F)F)cc1 95431491 ZVQWONOFPMNCIZ-UHFFFAOYSA-N 369.393 3.825 0 40 FHAB Cc1nc(N2CCC[C@@H](N3CCCC3=O)C2)c2c(CC(C)C)csc2n1 95957311 DJUMPZHMGFLYFD-MRXNPFEDSA-N 372.538 3.789 0 40 FHAB COc1ccc2cc(C(=O)NCCC[C@H]3CCCC[C@@H]3O)c(C)nc2c1 89536693 SXHGJNPLIPXKQZ-QRWLVFNGSA-N 356.466 3.613 0 40 FHAB COc1cc(CC2CN(c3ncnc4cc(Cl)ccc34)C2)cc(OC)c1 75110077 ODLKNSPEIRAYIA-UHFFFAOYSA-N 369.852 3.979 0 40 FHAB COc1ccc2c(c1)OC[C@H](C(=O)N1CC[C@@H](c3ccccc3)[C@@H]1C)C2 75107422 UEZHWAPKVBLNNP-QKYXUNIQSA-N 351.446 3.651 0 40 FHAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Oc2c(C)cccc2C)CC1=O 408653911 FPSSRDSWKCMFTN-AWEZNQCLSA-N 373.836 3.924 0 40 FHAB CCN(CC)c1ccc2cc(C(=O)N[C@H]3CCCC[C@@H]3C)c(=O)oc2c1 408806316 MOGKDNNWXZTPDH-KSSFIOAISA-N 356.466 3.948 0 40 FHAB O=C(C1CCCCC1)N1CCN(C2CCCC2)C[C@H](Cc2ccccn2)C1 72355088 QSXQGFZNWAWDOM-IBGZPJMESA-N 369.553 3.907 0 40 FHAB Nn1c(SCc2ccc(Cl)cc2)nc2cc(Cl)ccc2c1=O 71327757 QLJNEKPQOABMQQ-UHFFFAOYSA-N 352.246 3.709 0 40 FHAB Cc1cc(Br)cc2c1CN(CCOCC(F)(F)F)CC2 537126170 CBXUDVFMROJZJY-UHFFFAOYSA-N 352.194 3.695 0 40 FHAB Cc1ccccc1-c1cncc(C2CCN(C(=O)c3ccncc3)CC2)n1 72359505 MPCCFTIEKJQBSI-UHFFFAOYSA-N 358.445 3.867 0 40 FHAB O=C(C1CCC1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 30181533 VGXZMVAGVQJHRO-UHFFFAOYSA-N 358.482 3.999 0 40 FHAB COC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc2[nH]cc(C=O)c12 72221372 LEPFDIFSZLPNTL-HZPDHXFCSA-N 362.385 3.509 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2OC(C)C)cc1 72211968 WWOJHCSMIBTIDK-GOSISDBHSA-N 360.479 3.703 0 40 FHAB Cc1ccc(-n2nnc(C(=O)NC3CCCC3)c2-c2ccncc2)cc1C 38651765 LFOTUVMPDXMQLE-UHFFFAOYSA-N 361.449 3.619 0 40 FHAB CCN(CC)C(=O)CN1CCC[C@@H]1c1cccc(Cc2ccc(C)cc2)n1 72357639 WIBISUSJCZBGSU-JOCHJYFZSA-N 365.521 3.986 0 40 FHAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)N(C)c2cc(F)ccc2F)CC1=O 76735078 HXDXPEZZVYWJMC-DZGCQCFKSA-N 358.388 3.537 0 40 FHAB COc1cccc(OCCNC(=O)COc2ccc(Cl)cc2Cl)c1 223367303 QCDOKDWTZATIOM-UHFFFAOYSA-N 370.232 3.576 0 40 FHAB Cc1ccc(OC[C@H](C)NC(=O)COc2ccc3c(c2)CCCC3)cc1 224635237 IFNFIGVEIOPUIP-KRWDZBQOSA-N 353.462 3.836 0 40 FHAB CCOCCCNC(=O)C1CCN(Cc2cccc3ccccc23)CC1 41622621 JFJSQWYFHBONEF-UHFFFAOYSA-N 354.494 3.595 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223255044 VPFMMWNICOVTRB-LBPRGKRZSA-N 365.882 3.877 0 40 FHAB CNc1nc(-c2ccc(OC)c(NC(=O)c3cnc(C)nc3C)c2)cs1 226095617 HDQAZGFRDRXCPW-UHFFFAOYSA-N 369.450 3.520 0 40 FHAB CCc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1OC 225057422 UWPWNEXONUUZDM-HUUCEWRRSA-N 357.450 3.911 0 40 FHAB C[C@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)/C=C/c1cccc(Cl)c1 40069776 AQSMSCQPVQUJCK-NJJNPSGXSA-N 354.837 3.748 0 40 FHAB CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccco1 223365243 QPRKPGZOEDTRIO-MSOLQXFVSA-N 352.463 3.669 0 40 FHAB Cc1ccc2nc(SCC(=O)NC3CCCCCCC3)n(C)c(=O)c2c1 48342790 NSXJLZUSDRZOPT-UHFFFAOYSA-N 373.522 3.563 0 40 FHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)n1C 223850940 VLXSYWIGVXDCJK-RTBURBONSA-N 364.474 3.611 0 40 FHAB CCCO[C@](C)(C(=O)Nc1ccc(OCCOC)c(Cl)c1)C1CC1 225674852 CBCWRFIKPRGDLE-SFHVURJKSA-N 355.862 3.899 0 40 FHAB Cc1ccc(OCCNC(=O)COc2cccc(Cl)c2)cc1Cl 224182920 ACTBJHWWLHSAKB-UHFFFAOYSA-N 354.233 3.876 0 40 FHAB COc1cccc(C2=N/C(=C/c3cc(Br)cs3)C(=O)O2)c1 97987551 OPKSYDKQWPQEHP-NTUHNPAUSA-N 364.220 3.864 0 40 FHAB O=C(CC1=CCCCC1)N1CC2(C[C@H](OCc3ccccn3)CS2)C1 247855181 KGNSPCJRTDGTBV-SFHVURJKSA-N 358.507 3.575 0 40 FHAB C[C@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)N1[C@H](C)CCC[C@H]1C 245227603 PZEKONNQSHIONF-UPJWGTAASA-N 369.494 3.776 0 40 FHAB COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4O)cc1CN(C)C 257205063 AXMFTANNRWJMHS-FPIWTNIKSA-N 359.510 3.632 0 40 FHAB Fc1ccc(F)c(CN2CCC[C@@H](Cc3cc(-c4ncc[nH]4)ncn3)C2)c1 257248692 JEUDUOPIRWVVAP-AWEZNQCLSA-N 369.419 3.600 0 40 FHAB O=C(O)[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)C1 679392629 CMLSSADNSLIGCU-BRWVUGGUSA-N 354.450 3.765 0 40 FHAB O[C@@H](c1cccs1)c1ccc(CNc2ncnc3cnccc23)s1 1775972784 VTDKQUJFJIUHRF-INIZCTEOSA-N 354.460 3.842 0 40 FHAB COc1ccc(C)cc1NC(=O)Cn1c(-c2ccc(C)cc2)n[nH]c1=S 52818389 PXTKMCLUYQDOKG-UHFFFAOYSA-N 368.462 3.872 0 40 FHAB Oc1ccccc1N1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 57442428 DOONEFVLLWJGLE-UHFFFAOYSA-N 353.397 3.509 0 40 FHAB COC(=O)c1cc(NC(=O)c2cc(C)ccc2SC2CCCC2)nn1C 1544537525 FSPMHONYEGGVRG-UHFFFAOYSA-N 373.478 3.802 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)N1CCC(CSC2=NCCS2)CC1 75172379 ZKWQWOLHTQPZJH-AWEZNQCLSA-N 364.536 3.529 0 40 FHAB CN1C(=O)[C@H]2C=CC=C[C@H]2N=C1SCc1ccccc1Br 5525370 MRTQZNOBQLVUNR-GXTWGEPZSA-N 363.280 3.621 0 40 FHAB Cc1ccc(C(=O)N(c2cc(C)cc(C)c2)[C@@H]2C=CS(=O)(=O)C2)cc1 5082618 XFDBTFZICRWMRA-GOSISDBHSA-N 355.459 3.569 0 40 FHAB Cc1occc1-c1nc(N2C[C@H](C)O[C@H](C)C2)ncc1-c1ccncc1 12222818 BXYCSBJPNBKDIQ-OKILXGFUSA-N 350.422 3.721 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(OC)cc1 14400307 AMFGASWVTABFMA-HUUCEWRRSA-N 370.449 3.630 0 40 FHAB O=C(C[C@@H](O)c1ccccc1C(=O)O)c1ccc(Br)s1 16740832 ZAFPKMZHSFNFLY-SNVBAGLBSA-N 355.209 3.515 0 40 FHAB COc1ccc(C)cc1CN1C[C@@H]2CCC[C@H](C1)C2(O)c1ccccn1 19133239 DOQGQOKEQZDWNL-QIDMFYOTSA-N 352.478 3.518 0 40 FHAB CCOCCCNc1ncc(-c2ccc(F)cc2)c(-c2nccn2C)n1 19531053 ZIHRCDQFKOPFKX-UHFFFAOYSA-N 355.417 3.522 0 40 FHAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C)c1cnn(C)c1C 19718280 YXWPKFITLHQWLF-JTQLQIEISA-N 358.829 3.836 0 40 FHAB CC(=O)Nc1nc(COC(=O)c2cccnc2Oc2ccccc2)cs1 9577548 RZHREMBDUZEECX-UHFFFAOYSA-N 369.402 3.646 0 40 FHAB O=C(Nc1ccc(Br)cc1F)c1cc2c(nn1)CCCC2 1888879093 CKIOMCHTENWXBC-UHFFFAOYSA-N 350.191 3.509 0 40 FHAB CN(C)c1ccc(CCNC(=O)c2conc2-c2ccc(F)cc2)cc1 2037850040 KLDYDGFEOJAHFZ-UHFFFAOYSA-N 353.397 3.519 0 40 FHAB Cn1c(=O)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc2cccnc21 5303654 RAPUADOSAOSXPL-UHFFFAOYSA-N 371.396 3.978 0 40 FHAB COc1ccccc1OCC(=O)NCc1cc(-c2ccc(Cl)cc2)on1 12235665 HFIFIEGDLRVEPS-UHFFFAOYSA-N 372.808 3.699 0 40 FHAB C[C@H]1Cc2cc(CNCc3cc(-c4ccc(F)cc4)c[nH]c3=O)ccc2O1 12187378 MDDVRLORFDCGBB-AWEZNQCLSA-N 364.420 3.794 0 40 FHAB O=C(C[C@@H]1Nc2ccccc2NC1=O)Nc1ccc(Cl)c(Cl)c1 849879 OMFHHACXPPVRDI-AWEZNQCLSA-N 350.205 3.755 0 40 FHAB CCC[C@@H](NC(C)=O)C(=O)Nc1ccc(SCc2cccnc2)cc1 40156796 LXLWLYDUMKJDLB-GOSISDBHSA-N 357.479 3.617 0 40 FHAB O=C(CCn1ccc2c(Br)cccc21)NCc1cccnc1 40287889 BBPMYSCGMKJUSB-UHFFFAOYSA-N 358.239 3.505 0 40 FHAB Cc1ccc(-n2nnc(C(=O)N[C@H](C)CCc3ccccc3)c2C)cc1F 51317746 KUTUGYSCTNXVPS-OAHLLOKOSA-N 366.440 3.774 0 40 FHAB Cc1ccc(C(=O)Oc2cccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)cc1 102549056 ALKNAHSYPGVNQT-KDURUIRLSA-N 361.397 3.670 0 40 FHAB Cc1ccccc1-c1nnc(SCC(=O)NCC2CCCCC2)n1C 2653977 CFOSOYOOGFWQKT-UHFFFAOYSA-N 358.511 3.579 0 40 FHAB O=C(CSc1nnc(-c2ccccc2O)o1)Nc1ccccc1Cl 970953 MYCCYDMGXQGWJU-UHFFFAOYSA-N 361.810 3.826 0 40 FHAB Cc1cccc2cc(CN(C(=O)C3CC3)C3CCCCC3)c3nnnn3c12 1376742 BWLAYVHONFOEKW-UHFFFAOYSA-N 363.465 3.657 0 40 FHAB Cc1cc(C(=O)N2CCCC[C@H]2C)c2cnn(Cc3cccs3)c2n1 32908826 ZAZRQWTWXDTYRH-CQSZACIVSA-N 354.479 3.864 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)N(C)Cc1nc(-c2ccccc2)no1 78579820 LUUDHMBCYNEUHY-MRXNPFEDSA-N 369.396 3.692 0 40 FHAB COc1ccc(NC(=O)[C@@H]2CCCN2Cc2nc3ccccc3s2)cc1 52714366 PRCSQHXHJRMEOD-KRWDZBQOSA-N 367.474 3.908 0 40 FHAB O=C(Nc1ccc(Oc2cnccn2)cc1)c1cc2ccccc2oc1=O 46721173 NVHQSNGHBVRXOA-UHFFFAOYSA-N 359.341 3.628 0 40 FHAB COc1ccccc1CCNC(=O)c1ccc(COCC(F)(F)F)cc1 2750283 FLAWYCCQGROCJW-UHFFFAOYSA-N 367.367 3.747 0 40 FHAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)c1nc2cccnc2s1 6240536 BUEATKDFJTZANH-UHFFFAOYSA-N 358.366 3.684 0 40 FHAB CCOc1ccc(C(=O)Nc2ccc(NC(=S)NC(=O)CC)cc2)cc1 6709356 NZAHGIGSSSMKJN-UHFFFAOYSA-N 371.462 3.561 0 40 FHAB Fc1ccc(Cn2cc(NC(=S)NCCc3ccccc3)cn2)cc1 2781933 DALMKLADUADTRB-UHFFFAOYSA-N 354.454 3.600 0 40 FHAB CCC(=O)N1c2ccccc2[C@H](N(c2ccccc2)S(C)(=O)=O)C[C@H]1C 10153293 RDPIDGCTNHUHQP-DNVCBOLYSA-N 372.490 3.729 0 40 FHAB COc1ccccc1[C@@H]1CC(=O)c2cnn(-c3nc4ccccc4[nH]3)c2C1 10157242 FUYDNIVJWIBXGT-ZDUSSCGKSA-N 358.401 3.670 0 40 FHAB CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)NC)c1=S 53565638 YBVRGGJBOKHTNE-UHFFFAOYSA-N 352.891 3.671 0 40 FHAB COC(=O)c1cc(-c2ccc(OC)cc2)nc2onc(-c3ccco3)c12 8342519 KCTZCRVAOWUTAO-UHFFFAOYSA-N 350.330 3.945 0 40 FHAB O=Cc1cc([N+](=O)[O-])ccc1Sc1nc2c(c(C(F)(F)F)n1)CCC2 8377603 PHLLPIHDQMGGAC-UHFFFAOYSA-N 369.324 3.856 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)c1ccc(Cn2cncn2)cc1 22978850 XPFSBPSJYGLCOD-UHFFFAOYSA-N 356.813 3.549 0 40 FHAB C[C@@H](NC(=O)c1ccccc1I)c1ccccc1 826227 UYBLEQHMEWZXJQ-LLVKDONJSA-N 351.187 3.782 0 40 FHAB COc1cc2cc[n+](Cc3ccc(Br)cc3)cc2cc1OC 23746806 ZNTAOPHPPGCFNI-UHFFFAOYSA-N 359.243 3.955 0 40 FHAB O=C(CCC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1 8710595 YGJHTAHDEJJFFN-UHFFFAOYSA-N 374.843 3.791 0 40 FHAB Cc1cccc(N2CCN(C(=O)NCCc3ccc(F)cc3)CC2)c1C 12537254 BDZIBAJQRPYTIS-UHFFFAOYSA-N 355.457 3.517 0 40 FHAB O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc(F)cc1F 12543290 AECOTSMUYDLVIW-UHFFFAOYSA-N 352.768 3.707 0 40 FHAB CC(=O)Nc1cccc2c1CCN(C(=O)N[C@@H](C)c1cccc(F)c1)C2 56365913 IHZJJPJUAZAMMK-ZDUSSCGKSA-N 355.413 3.613 0 40 FHAB CCc1cc(=O)n(CC(=O)Nc2cccc(C)c2)c(-c2cccc(F)c2)n1 57508170 DZLGNZAVNUDTBJ-UHFFFAOYSA-N 365.408 3.559 0 40 FHAB CC[C@H]1[N+]2=C(CCC2)N(c2ccc(OC)cc2)[C@@]1(O)c1ccc(Cl)cc1 28629566 UGZKPJFRUKYGMV-TZIWHRDSSA-N 371.888 3.997 0 40 FHAB Cc1sc2ncc(C(=O)N[C@@H](C)c3ccc(Cl)cc3)c(=O)n2c1C 179565361 PIAQMNIFWIRAGM-VIFPVBQESA-N 361.854 3.517 0 40 FHAB Cc1[nH]c2ccccc2c1C1CCN(C(=O)[C@H](C)OC[C@H]2CCCO2)CC1 58428558 RHKQMPZRFSCMHH-FUHWJXTLSA-N 370.493 3.766 0 40 FHAB CCCn1c(C)cc(C(=O)COC(=O)c2cc3ccccc3oc2=O)c1C 3367407 HDMHQIHPPQMROX-UHFFFAOYSA-N 367.401 3.661 0 40 FHAB O=C(c1cc2ccccc2oc1=O)N1CCn2cccc2[C@@H]1c1ccccc1 45248733 YVMIXCLCEKANJW-NRFANRHFSA-N 370.408 3.840 0 40 FHAB CCN(c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1)C(C)C 28995146 ARKYQRBRZBRUBU-MRXNPFEDSA-N 369.465 3.502 0 40 FHAB NC(=O)[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 11530323 XDHJLCCQFJJMBU-MRXNPFEDSA-N 368.437 3.738 0 40 FHAB Cc1c(C(=O)O)sc2nc(Cc3cccc(C(F)(F)F)c3)[nH]c(=O)c12 12804036 LIQNVZZWECMHPS-UHFFFAOYSA-N 368.336 3.601 0 40 FHAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)c2cccnc12 12858111 IVGYWNZZQKIPOT-HNNXBMFYSA-N 363.417 3.627 0 40 FHAB C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)c1ccccc1 408647652 JOKXSLUTRLXPNU-HIFRSBDPSA-N 371.820 3.508 0 40 FHAB CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(C)cc1)C(C)C 3548004 OQBRZCZCKORWLV-IBGZPJMESA-N 354.450 3.787 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)Cc1ccc2c(c1)OCCO2 12926938 CATAXSCOTJTMED-AWEZNQCLSA-N 374.868 3.879 0 40 FHAB COc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 48633921 AKVORVBCRVXRND-UHFFFAOYSA-N 374.396 3.850 0 40 FHAB CCOCc1ccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCO3)cc1 48711409 NQLRKQYJEQODCY-UHFFFAOYSA-N 365.433 3.632 0 40 FHAB Cc1ccc(Cl)c(OCC(=O)NC2CCN(Cc3ccccc3)CC2)c1 13012506 GVQXOJZYXJOGBQ-UHFFFAOYSA-N 372.896 3.808 0 40 FHAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc(C(C)C)cc3)CC2=O)c1 13015053 RHCKRYBBHLZBPP-INIZCTEOSA-N 352.434 3.810 0 40 FHAB Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O 13259939 MEJOQLZYPQIMKK-INIZCTEOSA-N 366.442 3.544 0 40 FHAB CCCCN1C(=S)S[C@@H](N(O)C(=O)NC2CCCCC2)C1(C)C 3991730 RRMFBYUVPSIKJX-CYBMUJFWSA-N 359.561 3.958 0 40 FHAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)Nc1ccccc1 5061865 QUUYEJCXICPYOP-UHFFFAOYSA-N 360.413 3.909 0 40 FHAB C[C@@H](OC(=O)c1cc2c(s1)CCCC2)c1nc2ccccc2c(=O)[nH]1 4274927 OSHWODHOXBHKSV-LLVKDONJSA-N 354.431 3.781 0 40 FHAB CC(C)CN1CCCC[C@@H]1CNC(=O)Nc1cccc(OCCF)c1 97164742 GHOOWZMHDTUXTP-QGZVFWFLSA-N 351.466 3.667 0 40 FHAB O=c1oc(-c2ccc(F)cc2)nn1Cc1csc(-c2cccs2)n1 14137294 LWYPJSWKLTWYAN-UHFFFAOYSA-N 359.407 3.876 0 40 FHAB COC(=O)CSc1nc2c(c(=O)[nH]1)[C@@H](C1CCCC1)Cc1ccccc1-2 5625576 BEIWKUNASJZQJT-OAHLLOKOSA-N 370.474 3.532 0 40 FHAB Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 6787519 OGTJAMKEIDNPNU-GVMDUPDNSA-N 355.404 3.856 0 40 FHAB COc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 4834163 VZXRCIZGWZKGLC-LLVKDONJSA-N 365.813 3.772 0 40 FHAB O=C(COC(=O)COc1ccc2ccccc2c1)Nc1cccc(F)c1 6886316 PGBRZRDHTNLYOD-UHFFFAOYSA-N 353.349 3.540 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)CSc2nc(C)cc(C)n2)c1 6892402 OAILMVQSNHDYBH-UHFFFAOYSA-N 361.467 3.622 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(Br)c(C)c2)cc1 5884158 SCEVMMVACQGSET-UHFFFAOYSA-N 368.252 3.761 0 40 FHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CC(C)(C)C 5894532 DLBYVKKLRCQRAK-UHFFFAOYSA-N 364.486 3.695 0 40 FHAB CCOc1ccc2nc(NS(=O)(=O)c3ccccc3F)sc2c1 7055003 MFGQNHSGVWOWIX-UHFFFAOYSA-N 352.412 3.635 0 40 FHAB O=C(CNc1cccc2ccccc12)Nc1ccccc1C(=O)NC1CC1 9337109 LRKNBFJIYHGHDP-UHFFFAOYSA-N 359.429 3.783 0 40 FHAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Oc1ccc2c(c1)OCO2 7658575 WWKARSOGMMYJNO-SNVBAGLBSA-N 365.179 3.551 0 40 FHAB Cc1csc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1 7736778 SNVUHIUNGWKXIZ-ZDUSSCGKSA-N 363.870 3.596 0 40 FHAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cc2c(s1)CCC2 7718805 JMMAHAZULFWVAW-UHFFFAOYSA-N 357.435 3.932 0 40 FHAB COc1ccc(C)cc1NC(=O)CN(Cc1cccs1)C[C@H]1CCCO1 7927196 JWBHOOSHVMOQCL-MRXNPFEDSA-N 374.506 3.685 0 40 FHAB Cc1ccc(-n2c(C)nnc2SCC(=O)N(C)Cc2cccs2)cc1 8090654 HILCCHUWKVTTHL-UHFFFAOYSA-N 372.519 3.696 0 40 FHAB O=C(NCCc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1 8394912 IHLXUXZNHKXLLF-UHFFFAOYSA-N 361.848 3.553 0 40 FHAB COC(=O)c1cc(-c2ccc(F)cc2)nc2c1cnn2Cc1ccc(C)o1 8345968 MJZHKUFEQDSVMT-UHFFFAOYSA-N 365.364 3.974 0 40 FHAB COc1ccccc1CN(Cc1cccs1)C(=O)Cc1c(C)n[nH]c1C 8395123 ROQDIRLUMIVKLK-UHFFFAOYSA-N 369.490 3.868 0 40 FHAB CCn1ncc(Br)c1C(=O)N[C@@H](C)c1ccc(C)cc1C 28236807 GWYNDVJRSNKRCX-LBPRGKRZSA-N 350.260 3.773 0 40 FHAB CN(C)C(=S)Oc1cccc(CNCc2csc(C(C)(C)C)n2)c1 95467806 NAZIOVCFUVHEBN-UHFFFAOYSA-N 363.552 3.956 0 40 FHAB CCn1cnnc1CCNc1ncnc2scc(-c3ccc(C)cc3)c12 95960349 QBULWOTUAFKUNW-UHFFFAOYSA-N 364.478 3.933 0 40 FHAB C[C@H](C[C@H](O)c1cccs1)NC(=O)c1ccccc1Br 89895109 TYLVWIHSHJITFR-MFKMUULPSA-N 354.269 3.753 0 40 FHAB C[C@H](OCc1ccccc1)C(=O)N1CCN([C@@H](C)c2cccc(F)c2)CC1 89905211 NTJAZVFPBFBYCS-ROUUACIJSA-N 370.468 3.636 0 40 FHAB COc1cccc(OCC(=O)N(Cc2cccc3[nH]ccc23)C2CC2)c1 32093179 CULIIFXQWVIXGJ-UHFFFAOYSA-N 350.418 3.747 0 40 FHAB CC(C)Oc1ccc(C(=O)NCc2cccc(CN3CCCC3)c2)cc1 32462514 OSVXYCADKCTLHN-UHFFFAOYSA-N 352.478 4.000 0 40 FHAB O=C(C[S@](=O)Cc1c(Cl)ccc(Cl)c1Cl)N1CCCC1 526842503 FZRHVEHPZGEOEA-HXUWFJFHSA-N 354.686 3.518 0 40 FHAB CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cccc(F)c1 71980479 GIWMQVSMMLRBGN-CZDRUDQFSA-N 363.429 3.684 0 40 FHAB C=CC(=O)Nc1cccc(C(=O)N[C@H]2CCCOc3ccc(F)cc32)c1 1543809903 RIHNBCUBNVGMRS-KRWDZBQOSA-N 354.381 3.594 0 40 FHAB CC(C)NC(=O)Nc1cccc(C(=O)NCCc2ccc(Cl)cc2)c1 32913886 HHAJFSSZQSVJTI-UHFFFAOYSA-N 359.857 3.842 0 40 FHAB Cc1ccc(Oc2nccnc2C2CCN(C(=O)c3cccnc3)CC2)cc1 72362095 HBKMOBXYKDXENN-UHFFFAOYSA-N 374.444 3.992 0 40 FHAB Cc1nc(Nc2nncs2)cc([C@H]2CCCN2Cc2ccccc2)n1 72360102 CKSAYASFOWJGCB-MRXNPFEDSA-N 352.467 3.717 0 40 FHAB O=C(NCc1ccc(-n2cccn2)cc1)N1CCC[C@@H]1c1ccsc1 46900833 RKDOHQZRKGJNHG-GOSISDBHSA-N 352.463 3.981 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 224777423 SEHSQXNDFKRBBQ-MRXNPFEDSA-N 372.896 3.826 0 40 FHAB COC(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1cccc(Cl)c1C 75165729 QMDOYLDJUVWLHQ-KRWDZBQOSA-N 358.825 3.953 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1Cl 223325960 UZIHKWZWZSRPSV-UHFFFAOYSA-N 373.217 3.537 0 40 FHAB COc1ccc(-c2noc(CN(C)C(=S)Nc3ccc(F)cc3)n2)cc1 225461089 UGYIWDSAJHKBCN-UHFFFAOYSA-N 372.425 3.713 0 40 FHAB COc1ccc(OC)c([C@H](O)CNC(=O)Nc2ccc(C)c(Cl)c2)c1 40088337 WONFBMSPKPQTPD-MRXNPFEDSA-N 364.829 3.521 0 40 FHAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1 49466919 RBQMLCCFWANQQO-MOPGFXCFSA-N 353.418 3.861 0 40 FHAB Cc1ccccc1-c1noc(CN(C)C(=O)CCc2ccccc2F)n1 224948986 FVNIROVYDFUJDG-UHFFFAOYSA-N 353.397 3.775 0 40 FHAB COc1cccc(OCCNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c1 224425548 QNYQDSYORUHGLK-QGZVFWFLSA-N 357.450 3.583 0 40 FHAB Nc1ccc(N2CCOCC2)c(NC(=O)c2ccc(Cl)c(Cl)c2)c1 226252788 JBKGZGJFVCOUBN-UHFFFAOYSA-N 366.248 3.665 0 40 FHAB COc1ccc(-c2nnc([C@H]3CCN(C(=O)c4ccc(F)cc4)C3)o2)cc1 49170911 CSMMKBFPQAKAFE-HNNXBMFYSA-N 367.380 3.514 0 40 FHAB biogenic,in-vitro CCc1ccc(N2C[C@H](c3noc(-c4cccc(OC)c4)n3)CC2=O)cc1 44415779 HVLNQPBURPYXHW-MRXNPFEDSA-N 363.417 3.828 0 40 FHAB COc1cccc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)c1 222794032 HUSKGSSPVCDEFD-SFHVURJKSA-N 371.433 3.501 0 40 FHAB O=C1[C@@H]2C[C@@H](CN2C2CCCC2)Oc2ccccc2N1Cc1ccccc1 96111780 WBUYBPCSAVRHKX-FPOVZHCZSA-N 362.473 3.998 0 40 FHAB biogenic,in-vitro Cn1cc([C@H]2SCC(O)=Nc3ncn(-c4ccc(Cl)cc4)c32)cn1 95480161 UWOBXHHQJNEYLK-OAHLLOKOSA-N 359.842 3.683 0 40 FHAB CCOC(=O)c1c(NC(=O)c2sc(C)nc2C)sc2c1CCC2 334161217 WONUZBBUDABOBF-UHFFFAOYSA-N 350.465 3.739 0 40 FHAB CCCNC(=O)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 96146533 VYLOXFZZWUJFPT-UHFFFAOYSA-N 373.460 3.925 0 40 FHAB Cc1cccc(Nc2cc([C@@H]3CCCN3C(=O)c3cc(C)on3)ccn2)n1 257215881 CSAXVISZBWZGMT-KRWDZBQOSA-N 363.421 3.802 0 40 FHAB O=C(c1ccccc1)N1CCO[C@H](c2cccc(Cc3ccccc3)n2)C1 257324719 WPVLRWIMMQBPQZ-QFIPXVFZSA-N 358.441 3.886 0 40 FHAB COc1ccc(N(CCC(C)C)C(=O)[C@H]2CNC(=O)c3ccccc32)cc1 626778486 NYANGYYJKZPHHQ-FQEVSTJZSA-N 366.461 3.602 0 40 FHAB C[C@@H](NC(=O)Nc1ccc2c(c1)COC2)[C@@H]1CCN(Cc2ccccc2)C1 376823528 PLZXBKPWLRYIOO-SJLPKXTDSA-N 365.477 3.749 0 40 FHAB C[Si](C)(C)C1=C[C@@H](NC2CCCCC2)n2c(nc3c(N)ncnc32)S1 675009076 FISBIDCXLCORRP-LBPRGKRZSA-N 374.590 3.696 0 40 FHAB CC(C)(C)[S@](=O)N[C@]1(c2ccccc2Cl)CCCCC12OCCO2 1772715272 MCLZRAPSIXACFI-XDHUDOTRSA-N 371.930 3.904 0 40 FHAB CCNc1nc(C)c(C(=O)NCCc2c[nH]c3c(Cl)cccc23)s1 1150347630 VPGZVJYFGXYLER-UHFFFAOYSA-N 362.886 3.991 0 40 FHAB CC(C)(C)OC(=O)N[C@@H](CNC(=O)CCc1ccco1)c1ccccc1 72297666 KTGRIHDQGFRPCD-KRWDZBQOSA-N 358.438 3.594 0 40 FHAB O=C(NCc1ccccn1)c1cccc(NCc2cccc3[nH]ncc23)c1 1650727937 YCIXTPSPTMIGSH-UHFFFAOYSA-N 357.417 3.500 0 40 FHAB COc1ccc(C2=N/C(=C/c3cc4ccccc4n3C(C)=O)C(=O)O2)cc1 5000783 KCNRBVRESKVLBP-LDADJPATSA-N 360.369 3.655 0 40 FHAB COc1cc(OC)c(OC)cc1CNC(=O)c1ccc2ccccc2c1 5246181 PQTSNILGXPUPQM-UHFFFAOYSA-N 351.402 3.796 0 40 FHAB CCCCNc1ccccc1C(=O)OCc1cc(=O)n2cc(C)ccc2n1 5428786 YAGQIALRQLKAEX-UHFFFAOYSA-N 365.433 3.572 0 40 FHAB C[C@H]1CCCCN1C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 13123801 HLSJUEZJPMMCBZ-LBPRGKRZSA-N 356.451 3.711 0 40 FHAB Cc1ccc(C(=O)Nc2cccc(C)c2C)cc1S(=O)(=O)N1CCCC1 13583025 OLKMZONFTZPGPF-UHFFFAOYSA-N 372.490 3.649 0 40 FHAB Nn1c(SCc2coc(-c3cccs3)n2)nnc1-c1ccc(F)cc1 14016001 XCKWRYPYONUCOL-UHFFFAOYSA-N 373.438 3.807 0 40 FHAB O=S(=O)(Cc1ccccc1)Nc1cnn(Cc2ccc(Cl)cc2)c1 14222173 NYAWECQVNFWERT-UHFFFAOYSA-N 361.854 3.527 0 40 FHAB C[C@H](Sc1nnnn1C1CCCCC1)C(=O)c1ccc(F)c(F)c1 14676329 RJFNPDDOGCSGNC-JTQLQIEISA-N 352.410 3.820 0 40 FHAB COc1ccccc1C1(C(=O)NCc2ccc(Cl)cc2)CCOCC1 16985728 WYTOCNRHQLGVQU-UHFFFAOYSA-N 359.853 3.713 0 40 FHAB O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)c1cc2ccccc2s1 19357542 UFHSZVVHOVXGRB-UHFFFAOYSA-N 370.817 3.920 0 40 FHAB CCc1nn2c(N3CCC[C@H](O)C3)c(C)c(C)nc2c1-c1ccc(F)cc1 19521364 ITLDEHCHGWURMH-KRWDZBQOSA-N 368.456 3.676 0 40 FHAB COc1ccc(CN2CCC(c3nnc(-c4ccncc4)o3)CC2)cc1 19555055 DOKQWLWTPZNSDV-UHFFFAOYSA-N 350.422 3.520 0 40 FHAB CN(C)CCN(C)C1CCN(Cc2ccc(-c3ccc(F)cc3)cc2)CC1 19582437 LQMGRADTHBABAV-UHFFFAOYSA-N 369.528 3.951 0 40 FHAB COc1ccc(CSC2=N[C@H]3CCCC[C@@H]3N2)cc1Br 8328790 QSZVDWTXWCZWCZ-STQMWFEESA-N 355.301 3.961 0 40 FHAB CCOC(=O)C(=O)Nc1ccccc1Sc1ncnc2c(C)csc12 2155056 GLLXUIYMICWULS-UHFFFAOYSA-N 373.459 3.653 0 40 FHAB Cc1noc(C)c1COC(=O)c1ccc(OCc2c(C)noc2C)cc1 2642343 NXJLBPNSUDCEHA-UHFFFAOYSA-N 356.378 3.832 0 40 FHAB COc1ccc(C(=O)[C@@H](C)Sc2nnnn2-c2ccc(C)cc2C)cc1 5414870 WYZFXDWLUQSOGC-CQSZACIVSA-N 368.462 3.651 0 40 FHAB C[C@@H](NC(=O)c1ccc2c(c1)OCCCO2)c1ccc(-n2ccnc2)cc1 18048492 VGGWGHAGSAAUBJ-OAHLLOKOSA-N 363.417 3.525 0 40 FHAB COc1ccc(CC(=O)N2CC[C@@H](C)c3ccccc32)c(OC)c1OC 31782010 JMAQDIVKIGQCHF-CQSZACIVSA-N 355.434 3.795 0 40 FHAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc3cc(C)c(C)cc3s2)cc1 4586157 AMYQJLFXZQGGLC-UHFFFAOYSA-N 374.487 3.959 0 40 FHAB Cc1cc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)o2)c(C)o1 11835524 OUGPRVGKPTVBGW-UHFFFAOYSA-N 365.361 3.955 0 40 FHAB Cc1ccc(-c2noc(Cn3nc(-c4ccc(C)c(C)c4)ccc3=O)n2)cc1 16845670 VOEBCQLVPZVPAO-UHFFFAOYSA-N 372.428 3.934 0 40 FHAB COc1ccc(CC(=O)NCC2(c3ccc(OC)cc3)CCCC2)cc1 21691219 WOZXUKHTJIFAPF-UHFFFAOYSA-N 353.462 3.875 0 40 FHAB CCC(=O)N1CCCc2cc(NC(=O)NCc3ccc(F)cc3)ccc21 22504796 XBVRDLOVSALSIJ-UHFFFAOYSA-N 355.413 3.837 0 40 FHAB Clc1ccc2ncnc(NC[C@H](c3cccs3)N3CCOCC3)c2c1 1775972069 AKPBSDSICGTSFA-MRXNPFEDSA-N 374.897 3.830 0 40 FHAB Cc1cccc2sc(N3C[C@@H]4CN(c5ncccc5F)C[C@@H]4C3)nc12 2086868841 QXVAKHCYWLBMKW-OKILXGFUSA-N 354.454 3.711 0 40 FHAB C[C@@H](NC(=O)c1cccc(NC(N)=O)c1)c1ccc(OC(F)(F)F)cc1 40081211 NZQWQPQGJNLPIY-SNVBAGLBSA-N 367.327 3.567 0 40 FHAB CN(C)C(=O)N1CCC[C@H](C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)C1 40134273 ZTKLPCHKPIPRFI-ROUUACIJSA-N 359.514 3.674 0 40 FHAB O=C(Nc1ccc(-c2nnco2)cc1)c1ccn(-c2ccccc2Cl)n1 50310795 RCJFQVYUFLDEHE-UHFFFAOYSA-N 365.780 3.828 0 40 FHAB Cn1c(S[C@@H]2CCc3ccccc3NC2=O)nnc1-c1ccccc1 20734939 NQCDNBFRFRPEJP-MRXNPFEDSA-N 350.447 3.528 0 40 FHAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)Nc1ccccc1F 102167954 KVRDUNIWHCBYLW-NYYJTOMGSA-N 365.832 3.885 0 40 FHAB CCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc3ncsc3c2)cc1 2616606 ZOSBCUUDQUSNSI-UHFFFAOYSA-N 368.414 3.685 0 40 FHAB COc1ccc(CN(C)Cn2[nH]c(-c3ccccc3)nc2=S)cc1OC 8752964 RABMHHIYWYQHDA-UHFFFAOYSA-N 370.478 3.714 0 40 FHAB Cn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NC2CCCC2)c1=O 12016318 NHSQITDOIQBIPM-UHFFFAOYSA-N 373.456 3.787 0 40 FHAB C[C@@H](Cn1cc(Br)cn1)C(=O)Nc1ccc(F)c(Cl)c1 2794603 RMBLYJBABURPOI-QMMMGPOBSA-N 360.614 3.713 0 40 FHAB O=C1C[C@@H](Nc2ccc3c(c2)CCC3)C(=O)N1c1cccc(C(F)(F)F)c1 21916051 FWGJCMKLLJJLFT-QGZVFWFLSA-N 374.362 3.938 0 40 FHAB CC(C)S(=O)(=O)c1ccccc1C(=O)N[C@H](C)c1ccc(F)c(F)c1 33157254 GJKMGVMJIITKNB-GFCCVEGCSA-N 367.417 3.638 0 40 FHAB CCCCNc1ccc(C(=O)NCCSCCN(CC)CC)cc1 4366973 PTRPHFXPQGSQMY-UHFFFAOYSA-N 351.560 3.703 0 40 FHAB Cc1cccc(C2(C(=O)N3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)CC2)c1 53029998 ZHHQWLXYTTVZQY-GOSISDBHSA-N 368.521 3.524 0 40 FHAB C[C@@H](Sc1nccn1-c1ccc(Cl)cc1)C(=O)NCc1ccco1 10270690 YIIMTXLZYKOIIL-GFCCVEGCSA-N 361.854 3.916 0 40 FHAB CCOC(=O)c1ccc(S(=O)(=O)N[C@H](c2ccc(C)cc2)C2CC2)cc1 10682671 RJYMHGWIYJFJTO-LJQANCHMSA-N 373.474 3.601 0 40 FHAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccs2)n1C 779356 ICHJICNYWGESIE-UHFFFAOYSA-N 358.492 3.891 0 40 FHAB CN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21 8959334 OCXIVKBBRYIMLA-UHFFFAOYSA-N 372.852 3.903 0 40 FHAB CCC(=O)NC(=S)Nc1ccc(-c2nc3ccc(C)cc3o2)c(O)c1 9064228 BIAXAVPSEDEGAG-UHFFFAOYSA-N 355.419 3.732 0 40 FHAB Cc1nc(CN(C)c2ncccc2C(=O)N2CCc3ccccc32)cs1 72302084 OHILJUVXHUHGSH-UHFFFAOYSA-N 364.474 3.686 0 40 FHAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C)cc2)N2C(=O)CCSC2=N1 1018955 VCZIYARCBROZLU-QGZVFWFLSA-N 358.463 3.597 0 40 FHAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(C(F)(F)F)c2)cc1 23986095 HBXVIZPMGLCKKM-UHFFFAOYSA-N 359.369 3.535 0 40 FHAB COc1cccc(NC(=O)CN(C)C(=O)c2cc3c(F)cccc3s2)c1 24589902 WKSMHNYVUCUYLX-UHFFFAOYSA-N 372.421 3.760 0 40 FHAB CCOC(=O)[C@H](C)NC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccc(C)cc1)(C3)C2 100318498 IDQUFWLNFJGRJV-LKFAQNRMSA-N 369.505 3.901 0 40 FHAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@H](O)c1ccccc1 25662127 VXZCKYLJYQVILR-SFHVURJKSA-N 371.868 3.522 0 40 FHAB O=C(Nc1cc(Cl)cc2cccnc12)[C@@H]1CCCN1C(=O)c1ccco1 25600484 SUACWXYIAVFTDV-HNNXBMFYSA-N 369.808 3.725 0 40 FHAB C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(S(C)(=O)=O)cc1 52754433 CQIYELITKZGWAX-SNVBAGLBSA-N 372.273 3.888 0 40 FHAB O=C(CN1CCCCCC1=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 57377808 ISJBMICKWIQVII-UHFFFAOYSA-N 373.840 3.868 0 40 FHAB O=C1S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1CCOc1ccccc1 106757711 BXLLXJPJIRIAJV-BOPFTXTBSA-N 369.398 3.531 0 40 FHAB CCOC(=O)CCN(CC1CC1)Cn1nc(-c2ccc(C)cc2)[nH]c1=S 58080467 ABPVFJFQEFSGDW-UHFFFAOYSA-N 374.510 3.539 0 40 FHAB COC(=O)Cc1c(C)c2cc(Cl)c(OCC=C(C)C)cc2oc1=O 2095231 PDPHCXLQBOLMGP-UHFFFAOYSA-N 350.798 3.815 0 40 FHAB biogenic Cc1noc(-c2ccccc2NC(=O)c2ccn(-c3cccc(F)c3)n2)n1 58172170 GBLUWMVQDAXHAO-UHFFFAOYSA-N 363.352 3.622 0 40 FHAB CN(C[C@H](O)COc1ccc(C(=O)c2ccccc2)cc1)C1CCCC1 12783140 MERKDHPZGMIWHP-FQEVSTJZSA-N 353.462 3.532 0 40 FHAB CC(C)[C@@H](NC(=O)NC[C@H]1COc2ccccc2O1)c1ccc(F)cc1 12765842 KKKPTWVQIDHCAF-QFBILLFUSA-N 358.413 3.662 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)c1cccc(NC(=O)CCn2ccnc2)c1 58229890 HBRJXDZJNUMUQS-INIZCTEOSA-N 374.444 3.503 0 40 FHAB COCc1nc(NCc2cc[nH]n2)c2c(-c3ccccc3)csc2n1 58265104 CQDDXDQGRDELOZ-UHFFFAOYSA-N 351.435 3.840 0 40 FHAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2C)c1 28197186 OYZFZSUFXZLMAM-UHFFFAOYSA-N 353.827 3.544 0 40 FHAB O=C(COc1ccc2ccc(=O)oc2c1)Nc1nc2c(s1)CCCCC2 12827647 GRRQPDDGLJEOJN-UHFFFAOYSA-N 370.430 3.536 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3cccnc3Cl)on2)cc1OC 12847846 NESHOJQEBCKZBQ-UHFFFAOYSA-N 359.769 3.660 0 40 FHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1ccc(Cl)cc1 12887940 HSYZVWINHHAVKW-CQSZACIVSA-N 354.841 3.683 0 40 FHAB O=C(CSCc1ccc(F)cc1)Nc1cccc(C(=O)NC2CC2)c1 10950058 UEXOJVBKLYOARS-UHFFFAOYSA-N 358.438 3.590 0 40 FHAB Cc1nc(C(=O)N[C@@H](c2ccccc2)C2CC2)nn1-c1ccc(F)cc1 11217397 XMARXPSBUUGHKK-SFHVURJKSA-N 350.397 3.596 0 40 FHAB CC(C)Sc1nc(NC[C@H](C)O)c2c3c(sc2n1)COC(C)(C)C3 2412378 QLRCXOXOVBQTDK-JTQLQIEISA-N 367.540 3.836 0 40 FHAB COc1ccc(OCCNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 46086324 LEOCWUDOPOSFPK-UHFFFAOYSA-N 363.841 3.539 0 40 FHAB COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1 3881298 PWCFGDABSUYDOI-UHFFFAOYSA-N 366.247 3.642 0 40 FHAB in-vitro CO[C@@H]1CCC[C@@H](OC(=O)c2ccc(-n3cnc4ccccc43)nc2)C1 92814518 HBPMYGDRPWPEIY-HZPDHXFCSA-N 351.406 3.535 0 40 FHAB CC(C)[C@H](NC(=O)N1CCN(c2ccccc2O)CC1)c1cccs1 9796639 OXDWXCZAWIRMLT-SFHVURJKSA-N 359.495 3.683 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)c1cccc(Br)c1 6261511 ZULWPQXSDPGAJK-UHFFFAOYSA-N 363.211 3.668 0 40 FHAB O=C(OCc1cc2c(cc1Br)OCO2)c1ccccc1F 5216533 WOFUPMJMNPGNIP-UHFFFAOYSA-N 353.143 3.674 0 40 FHAB COc1cccc(-c2n[nH]c3c2[C@H](c2nc(C)n4ccccc24)CC(=O)N3)c1 65405301 XRTJYNCUCGAZBM-OAHLLOKOSA-N 373.416 3.516 0 40 FHAB C[C@H](Sc1nncs1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 14162357 MYGCKYIBZOMDJV-ZETCQYMHSA-N 362.461 3.949 0 40 FHAB O=C(Cc1ccc2c(c1)OCCO2)Nc1nc2c(F)cc(F)cc2s1 14141483 FIHKYJHCRZYBJT-UHFFFAOYSA-N 362.357 3.527 0 40 FHAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1SC[C@@H]1CCCO1 14169713 XQZIFDGIIPKWQQ-HNNXBMFYSA-N 371.458 3.616 0 40 FHAB O=C(CC1(C(=O)Nc2ccc(OC(F)(F)F)cc2)CCCC1)NC1CC1 14238909 PMUGAWOZKVXGNB-UHFFFAOYSA-N 370.371 3.753 0 40 FHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc(F)c(Cl)c1 6590893 FXQORHAOXACHGT-NSHDSACASA-N 362.788 3.622 0 40 FHAB O=C(NC(=S)Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(Cl)cc1 4672105 ZKFAVYKEPFECDV-UHFFFAOYSA-N 369.229 3.818 0 40 FHAB Cc1ccc(S(=O)(=O)N2C[C@H]2c2ccc(Br)cc2)cc1 4792913 OGKVLFFBWMYUDN-MYJWUSKBSA-N 352.253 3.503 0 40 FHAB C[C@@H](Sc1nncn1-c1ccccc1F)C(=O)Nc1ccccc1F 4890661 JKZUMKBSQWAWFC-LLVKDONJSA-N 360.389 3.665 0 40 FHAB C[C@H](NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)c1nc2ccccc2[nH]1 9219947 QQGHVFVJUINNOT-ZETCQYMHSA-N 369.293 3.678 0 40 FHAB C[C@@H](NC(=O)CN(C)[C@@H]1CCCc2ccccc21)c1ccc2c(c1)OCO2 15291678 OYELSPUMAYANNP-DNVCBOLYSA-N 366.461 3.602 0 40 FHAB Cc1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)c1 16020549 ZLIRSVCUBPWTBN-UHFFFAOYSA-N 360.479 3.585 0 40 FHAB COc1ccc(/C=C/C(=O)N(CC(F)(F)F)[C@H](C)C2CC2)c(OC)c1 7717853 KQPSGJFVMAQJSZ-YPUOHESYSA-N 357.372 3.906 0 40 FHAB COc1ccc(-c2nc(CC(=O)N3CCC[C@H](C)C3)cs2)cc1OC 16641841 YDQDOQCGXTYQLO-ZDUSSCGKSA-N 360.479 3.628 0 40 FHAB COc1c(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc(Cl)c1Cl 19942887 WXDBBAQIURVLTJ-AOOOYVTPSA-N 352.283 3.669 0 40 FHAB Cc1cccc(CNC(=O)NCCNc2ncc(Cl)cc2Cl)c1 71926893 FOERLOUVMFYQJD-UHFFFAOYSA-N 353.253 3.608 0 40 FHAB O=C(NCc1cccs1)c1ccc(COc2ccc3c(c2)OCO3)o1 28227699 PNYNUECIHOLMKZ-UHFFFAOYSA-N 357.387 3.579 0 40 FHAB Cc1ccc(NC(=O)C[C@H](C)NC[C@H](c2ccco2)N2CCCC2)cc1 22095744 NGJDQZWKXVCYAB-PKOBYXMFSA-N 355.482 3.732 0 40 FHAB O=C1S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1CCc1ccccc1 409008457 ZAJWXWTZRAIZAB-BOPFTXTBSA-N 353.399 3.694 0 40 FHAB CC(=O)NCc1ccc(C(=O)NCC2(c3ccccc3)CCCCC2)cc1 32824824 UJODZOJFHBVNMA-UHFFFAOYSA-N 364.489 3.955 0 40 FHAB CCc1ccccc1NC(=O)C[C@H]1C(=O)N(C2CC2)c2nc3ccccc3n21 39964127 YTHLAVHLTTWJAH-IBGZPJMESA-N 374.444 3.678 0 40 FHAB COc1ccc2c(c1)[C@@H](NC(=O)c1cnn(-c3ccccc3C)c1)CCC2 1519940459 DUWZMSKFZGRKSU-FQEVSTJZSA-N 361.445 3.997 0 40 FHAB Cc1cccc(C)c1-n1nnnc1C1(NCCc2ccccc2)CCCC1 35622512 CPCCOMUMUDZLOZ-UHFFFAOYSA-N 361.493 3.881 0 40 FHAB O=C(Nc1ccc(F)c(C2CC2)c1)N1CCC[C@@H](N2CCCC2=O)CC1 565882229 ZCDLEMHHGNPEKF-MRXNPFEDSA-N 359.445 3.712 0 40 FHAB CCn1cc(C(=O)N2CCCC[C@@H]2c2nc3cc(C)c(C)cc3[nH]2)cn1 72389458 IUILMADKPIHDGL-GOSISDBHSA-N 351.454 3.764 0 40 FHAB O=C(/C=C/c1ccccc1Cl)NCC1CCN(c2ccncc2)CC1 70928591 WZCPTIUBOKHZME-AATRIKPKSA-N 355.869 3.781 0 40 FHAB Cc1nc(OCC(=O)Nc2ccc(Br)cc2)c2ccccc2n1 33141670 NNGQPYZPNNRJQQ-UHFFFAOYSA-N 372.222 3.718 0 40 FHAB O=C(CC1CCCC1)N1CCCC[C@H]1c1ccnc(Nc2cncnc2)n1 72377978 IWHCTRRPOPAYAU-SFHVURJKSA-N 366.469 3.644 0 40 FHAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N1CCN(c2ccc(F)cc2)CC1 222981237 PDQXBQCHOIFROG-NRFANRHFSA-N 370.468 3.949 0 40 FHAB CCc1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC)ccc1OC 223679450 XGHIJBWDWVVBJD-UHFFFAOYSA-N 355.843 3.720 0 40 FHAB Fc1ccccc1-c1nnc([C@H]2CCN(Cc3ccc4c(c3)OCO4)C2)o1 49170558 OPIXYQSRIMQJRG-AWEZNQCLSA-N 367.380 3.594 0 40 FHAB biogenic,in-vitro Cc1nc2ccc(NC(=O)N[C@H]3C[C@H](c4ccc(Cl)cc4)C3)cn2n1 576151118 ZCWAAVGYAFBVBM-SAZUREKKSA-N 355.829 3.759 0 40 FHAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1CCC[C@@H](C)C1 223253164 ALPTYUYMOUNOGP-XMSQKQJNSA-N 372.553 3.961 0 40 FHAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)o1 223483085 BOYHCQAMTFFNFD-ROUUACIJSA-N 350.447 3.551 0 40 FHAB COc1ccc(F)cc1S(=O)(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222998721 ZRZDPIBUQDMADL-CYBMUJFWSA-N 363.454 3.753 0 40 FHAB O=C(c1ccco1)N1CC2(CCN(CC3CC3)CC2)c2cc(F)ccc21 96161047 PYHBIHQETDSDGM-UHFFFAOYSA-N 354.425 3.823 0 40 FHAB C[C@H](Cc1ccc2c(c1)OCO2)CN1CCCCC[C@H]1c1ccn(C)n1 248094234 CUCHGCHVFURNDD-APWZRJJASA-N 355.482 3.945 0 40 FHAB O=C(NCC[C@@H]1CCCC1(F)F)c1csc(Nc2ccccn2)n1 1644480241 CPQLZZKNNIEWDT-NSHDSACASA-N 352.410 3.837 0 40 FHAB CO[C@@H](CNS(=O)(=O)c1cccc(Cl)c1C)c1ccc(C)s1 96104799 DPAJDTHZIFDJKH-ZDUSSCGKSA-N 359.900 3.684 0 40 FHAB Cc1cc(C(=O)NC2CCN(c3ccnc(C(F)(F)F)c3)CC2)c(C)o1 672205219 WQISBGGWOYVCIT-UHFFFAOYSA-N 367.371 3.709 0 40 FHAB Cc1ccccc1S(=O)(=O)[C@H](C)C(=O)Nc1ccc(F)cc1Cl 52617437 ITTHMJBONORHMT-LLVKDONJSA-N 355.818 3.588 0 40 FHAB COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)[C@H]1CCOC1 60351126 PBUJJHXYOQDKPP-PXNSSMCTSA-N 353.462 3.692 0 40 FHAB O=C(Nc1cccc(Cn2cncn2)c1)[C@H]1CCCC[C@@H]1C(F)(F)F 58514355 BFGAZZLNFDVQSC-GJZGRUSLSA-N 352.360 3.634 0 40 FHAB Cc1ncncc1C(=O)N1CCC[C@]12CN(c1cccc(F)c1)C(C)(C)C2 1615159985 WCIUQAQKWAETDD-NRFANRHFSA-N 368.456 3.588 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc2ccccc2oc1=O 11059165 HFBHRNYDOSYERL-UHFFFAOYSA-N 359.385 3.848 0 40 FHAB COc1cc2c(cc1CN(Cc1ccccc1)C[C@@H]1CCCO1)OCO2 12186949 MNJHRGJSCQTOPH-SFHVURJKSA-N 355.434 3.605 0 40 FHAB COc1ccc2cnc([C@H]3CCCN(C(=O)c4cccnc4)C3)cc2c1C 12187859 DREDQHXDOBCJNS-SFHVURJKSA-N 361.445 3.967 0 40 FHAB CN(C)[C@H](CNC(=O)c1cc(-c2cccs2)no1)c1ccc(F)cc1 12198422 YJUBIOYIVGXTOR-OAHLLOKOSA-N 359.426 3.575 0 40 FHAB CC(=O)Oc1cccc(NC(=O)CSc2nccc3ccccc23)c1 12364659 OGWHWLFJIVKHKU-UHFFFAOYSA-N 352.415 3.891 0 40 FHAB COc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c2ccccc12 12686259 GMPOCWQIEMJYJJ-UHFFFAOYSA-N 360.413 3.993 0 40 FHAB Cc1csc(C(=O)N2CCC(c3nnc(-c4ccccn4)o3)CC2)c1 19124502 KPGNORYIAJVJDB-UHFFFAOYSA-N 354.435 3.521 0 40 FHAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 19286844 MECLITQTJGIIBS-IBGZPJMESA-N 358.445 3.867 0 40 FHAB C[C@H](Oc1ccccc1F)c1nnc(S[C@H](C(N)=O)c2ccccc2)o1 12949541 XOZINTIMACFSQJ-NHYWBVRUSA-N 373.409 3.667 0 40 FHAB Cc1nc2ccccc2c(=O)n1CC1CCN(c2ccncc2Cl)CC1 1888885477 LDOLYDLJMHJISZ-UHFFFAOYSA-N 368.868 3.670 0 40 FHAB O=C(N[C@H]1CCOc2ccccc21)c1cccnc1SCC(F)(F)F 25061276 PRQRUYZDSTZBJZ-ZDUSSCGKSA-N 368.380 3.990 0 40 FHAB CN1C(=O)c2cccc(NC(=O)c3cc(Cl)sc3Cl)c2C1=O 4263830 NOSSACOQDWYLFX-UHFFFAOYSA-N 355.202 3.533 0 40 FHAB COc1ccc(SCCC(=O)Nc2nc(C)c(C(C)=O)s2)cc1 10219572 JBBOFIAUNNPBIR-UHFFFAOYSA-N 350.465 3.784 0 40 FHAB Cc1nn(Cc2ccccc2F)c(=O)c2c1cnn2-c1cccc(Cl)c1 12228173 QXJTZGKHQWQGIF-UHFFFAOYSA-N 368.799 3.731 0 40 FHAB Cc1ccc(Cl)cc1S(=O)(=O)NCC1CCN(C2CCCC2)CC1 23127621 MZXPHFOKCSTESH-UHFFFAOYSA-N 370.946 3.581 0 40 FHAB Cc1cc(C)cc(N2N=N[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]32)c1 101260343 KGHKFAYCVGOENS-IRXDYDNUSA-N 368.824 3.763 0 40 FHAB CCOC(=O)Nc1nc(CC(=O)Nc2cccc(SC)c2)cs1 12440514 BSFMQEPMVIHJOW-UHFFFAOYSA-N 351.453 3.615 0 40 FHAB O=C(Cc1cccc2cccnc12)N1CCO[C@@H](c2ccc(F)cc2)C1 40060451 OOJYGEZBRHAUCY-LJQANCHMSA-N 350.393 3.517 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 40039820 KIZCUYPEPGJKAH-KGLIPLIRSA-N 373.371 3.514 0 40 FHAB Cc1nn(C)c(Cl)c1C(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 40032276 UHIQVRPEKPKLST-UHFFFAOYSA-N 372.783 3.971 0 40 FHAB O=C(Nc1cccc(N2CCNC2=O)c1)c1ccc(-c2ccccc2F)o1 40108555 XURKREXQZIIOOJ-UHFFFAOYSA-N 365.364 3.868 0 40 FHAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Nc1ccc(F)c(Cl)c1)C(=O)C2 100864106 GVZMQDRHSHYFNZ-MGPLVRAMSA-N 359.850 3.616 0 40 FHAB Cc1sc2nc([C@H](C)OC(=O)C=C(C3CC3)C3CC3)[nH]c(=O)c2c1C 52151308 QJUNSYRQMNCTBK-JTQLQIEISA-N 358.463 3.952 0 40 FHAB O=C(COc1cccc2c1CCC[C@@H]2O)Nc1ccccc1OC(F)F 32691365 ZSYPKGIYULTIMU-HNNXBMFYSA-N 363.360 3.675 0 40 FHAB O=C(CCc1ccc(-c2ccccc2)o1)NCCc1ccc2c(c1)OCO2 32741220 FYGGVOSZKHBJSE-UHFFFAOYSA-N 363.413 3.967 0 40 FHAB Cc1nc(COc2ccc(/C=C/C(=O)NCc3ccco3)cc2)cs1 32876619 SQPWXBNOQWYWDW-RMKNXTFCSA-N 354.431 3.953 0 40 FHAB Cc1ccc(C(=O)N[C@H](C(=O)N[C@H]2CCCc3ccccc32)C(C)C)cc1 2635766 AAJOMKOUDGCDKJ-SFTDATJTSA-N 364.489 3.943 0 40 FHAB Cc1cc2ccccc2n2c(SCC(=O)N3CCCCCC3)nnc12 783266 NBJOPXUELVNBRL-UHFFFAOYSA-N 354.479 3.686 0 40 FHAB Cc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3cccc(C)c3C)n2)c1 78579672 PMFGITBCUHVVMF-MRXNPFEDSA-N 365.433 3.746 0 40 FHAB CC(=O)Nc1ccc2nc(NC(=O)COc3ccc(C(C)C)cc3)oc2c1 6307458 OUNMNKZSKCLLTK-UHFFFAOYSA-N 367.405 3.927 0 40 FHAB Cc1cc(C)c(NC(=O)CSc2nnc(N)n2-c2ccccc2)c(C)c1 6961315 XHZRWYSJKOFVOE-UHFFFAOYSA-N 367.478 3.506 0 40 FHAB CN(Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)[C@@H]1CCCc2ccccc21 7327926 QAVVATJJLKOPQK-MRXNPFEDSA-N 365.502 3.983 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)c2[nH]c(C)c(C(C)=O)c2C)c(OC)c1 58349041 OODVHMNYTUPGBI-QGZVFWFLSA-N 370.449 3.829 0 40 FHAB CCSc1nnc(S[C@@H](C)c2nc(-c3ccncc3)no2)s1 23076043 NFSNUPHUYBOIMQ-QMMMGPOBSA-N 351.482 3.948 0 40 FHAB CCn1nnc2cc(C(=O)NCC3(c4ccc(F)cc4)CCCC3)ccc21 61633752 SEJVWMPBICVSMA-UHFFFAOYSA-N 366.440 3.832 0 40 FHAB CCOC(=O)N(C)c1ccc(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)cc1 54313048 SIFRPFMXNVQVGD-UHFFFAOYSA-N 369.421 3.687 0 40 FHAB C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)n1c(=O)oc2ccccc21 12555332 JCGPNRJUDYRUDE-HNNXBMFYSA-N 365.433 3.785 0 40 FHAB CCN(CC)C(=O)c1ccc(NC(=O)Cc2ccc(C)c(OC)c2)cc1 24924169 XQPQDVSBBRHNPA-UHFFFAOYSA-N 354.450 3.667 0 40 FHAB CN1CCOc2ccc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)cc21 173955114 KZNCFGGWAKAXEN-UHFFFAOYSA-N 374.444 3.831 0 40 FHAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NC1CCCCCC1 3222643 WDPNSHBRICOYIM-KRWDZBQOSA-N 350.890 3.933 0 40 FHAB Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(C)c1O 106503642 FWRBIAZUIOLKEK-SXGWCWSVSA-N 356.809 3.755 0 40 FHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)COc1ccc3c(c1)CCC(=O)N3)C2 107330653 SEKAONPYPKSAJV-LFRPXUGBSA-N 357.450 3.708 0 40 FHAB Cc1c(NC(=O)[C@@H]2C[C@H]2C)cccc1C(=O)N1CCc2sccc2C1 26405270 WFFAZZPVAXLJAW-MLGOLLRUSA-N 354.475 3.850 0 40 FHAB COc1ccc(/C=C2/NC(=S)N(c3ccc(Cl)cc3C)C2=O)cc1O 105682873 ZOXNKAXUGCOHBS-MDWZMJQESA-N 374.849 3.625 0 40 FHAB COc1ccc(CNC(=O)Nc2ccc(N3CCCC3)c(F)c2)cc1OC 48137987 VRLKTTUXSVNXMX-UHFFFAOYSA-N 373.428 3.765 0 40 FHAB O=C(c1ccoc1)N1CCC[C@@H](C(=O)N2CCC[C@H]2c2ccsc2)C1 48234187 PDHDURYLEXFXSU-PBHICJAKSA-N 358.463 3.557 0 40 FHAB Cc1cc(CN(C)C(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)no1 48286865 KJODFJFIWJGHLQ-OAHLLOKOSA-N 351.406 3.790 0 40 FHAB COC(=O)CNC(=O)CC12C[C@@H]3C[C@@H](C1)CC(c1ccc(C)cc1)(C3)C2 100864040 PCEUWMZPDVUCGA-UOBYYGQQSA-N 355.478 3.512 0 40 FHAB Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(=O)n1 1994266 CGZMNTNEGYPHGK-MRXNPFEDSA-N 363.417 3.852 0 40 FHAB CC(C)N(C(=O)Cc1c[nH]c2ccccc12)c1ccc(S(C)(=O)=O)cc1 58299951 AIIYKLOQFKVGGG-UHFFFAOYSA-N 370.474 3.556 0 40 FHAB Cc1ncc(CN(C)C(=O)Nc2ccc(Oc3cnccn3)cc2)s1 58265629 XUGFMROVQYEURK-UHFFFAOYSA-N 355.423 3.698 0 40 FHAB O=C(c1ccc(COc2ccc(F)cc2)o1)N1CCC[C@H](n2cccn2)C1 58290633 AFBPAJWQJGKPKB-INIZCTEOSA-N 369.396 3.672 0 40 FHAB COc1cccc(-c2cc(C(=O)Nc3cc(-c4ccccc4)n[nH]3)n[nH]2)c1 28245847 MRVXDDZVICLMSU-UHFFFAOYSA-N 359.389 3.728 0 40 FHAB C[C@H](NC(=O)c1cccc(N(C)C)c1)c1nc2ccccc2n1C(F)F 10320056 STIWMLCBZQNZCF-LBPRGKRZSA-N 358.392 3.988 0 40 FHAB CCOc1ccc(-c2nc(-c3ccc(S(N)(=O)=O)cc3)cs2)cc1 58342845 SCRUBIFVMPNYDH-UHFFFAOYSA-N 360.460 3.523 0 40 FHAB CC(C)Cc1nc2oc3c(NCCCN(C)C)ncnc3c2c2c1CCC2 2203017 AMHIWPFADBVSPH-UHFFFAOYSA-N 367.497 3.822 0 40 FHAB C[C@H]1CN(Cc2ccccc2CNC(=O)CCc2ccsc2)C[C@H](C)O1 48358398 OVOUJQUGIDRBLF-IRXDYDNUSA-N 372.534 3.606 0 40 FHAB COc1cc(NC(=O)Nc2cc(C)on2)ccc1NC(=O)OC(C)(C)C 48374274 HLKPHXUVRFQZAZ-UHFFFAOYSA-N 362.386 3.983 0 40 FHAB CCc1ccc([C@H](NC(=O)[C@H]2Cc3ccccc3C(=O)O2)C(C)C)cc1 36784030 QLCOTQRHHHNURF-WOJBJXKFSA-N 351.446 3.844 0 40 FHAB COc1ccccc1OCCNC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 46086280 VPDPKAKHSZMJDG-CQSZACIVSA-N 363.841 3.620 0 40 FHAB Cc1ccc(C(=O)CCC(=O)NCC(=O)Nc2cccc(Cl)c2C)cc1 12941398 LOSWESQLJCDMHV-UHFFFAOYSA-N 372.852 3.675 0 40 FHAB COc1ccc(C)cc1[C@@H](C)NC(=O)CCNC(=O)c1ccccc1Cl 12972092 DICHKTAKCKWPOT-CQSZACIVSA-N 374.868 3.654 0 40 FHAB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(C)c2)n2ncnc2N1 3907208 OGTPAIUHNPCRKE-GOSISDBHSA-N 352.438 3.751 0 40 FHAB Cc1nc2c(n1C(C)C)CN(C(=O)C1CC1)CC21CCN(CC(C)C)CC1 306135829 PCDJNZMFMQPPPD-UHFFFAOYSA-N 372.557 3.514 0 40 FHAB O=C1c2cccc3c(O)ccc(c23)C(=O)N1CCc1c[nH]c2ccccc12 4171917 XKJBNULNTPNJFD-UHFFFAOYSA-N 356.381 3.865 0 40 FHAB Cc1cc(=O)n2c3ccccc3nc2n1Cc1ccc(Br)cc1 13636963 IOFTWFCJNLKFLE-UHFFFAOYSA-N 368.234 3.768 0 40 FHAB CC(=O)N[C@H](C(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1)C(C)C 8778111 HBQJIGSKIBBPFB-KRWDZBQOSA-N 359.495 3.835 0 40 FHAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(OC)c(OC)c1 20106962 OFPPSPVEBXSBPE-KRWDZBQOSA-N 357.450 3.794 0 40 FHAB COc1ccc([C@@H](NS(=O)(=O)c2ccc(C(C)=O)cc2)C(C)C)cc1 14184007 CSMIKDNAGZIFJJ-IBGZPJMESA-N 361.463 3.573 0 40 FHAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)NCCc2ccccc2C)c1 14159275 ZCRQLAOYDSQRAK-UHFFFAOYSA-N 366.490 3.583 0 40 FHAB O=S(=O)(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccccc1 4662696 NQSMXICYRJZLGE-UHFFFAOYSA-N 351.387 3.691 0 40 FHAB COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(C)cc2C)C(C)C)cc1 6649063 VYWXSAJGPJHLKJ-IBGZPJMESA-N 354.450 3.705 0 40 FHAB CCOc1ccc(Oc2ccccc2NCC(=O)NC(=O)NC(C)C)cc1 9336805 ADKVKIVQCJMYRQ-UHFFFAOYSA-N 371.437 3.524 0 40 FHAB CC(C)Cc1sc(Cl)nc1C(=O)Nc1nnc([C@@H]2CCCO2)s1 96231421 HJIASZIDJIZOPC-QMMMGPOBSA-N 372.903 3.950 0 40 FHAB Cc1cc(C(=O)Nc2ccccc2)ccc1NS(=O)(=O)C(F)(F)F 80462969 OCSJCFXJJSHGSD-UHFFFAOYSA-N 358.341 3.509 0 40 FHAB Cc1nnc(SCC(=O)N[C@H](C)c2cc3ccccc3o2)n1C1CC1 7533787 MTQVQXAWHBVBCL-LLVKDONJSA-N 356.451 3.637 0 40 FHAB O=C(Nc1ccccc1C(=O)NC1CC1)c1cc(F)c(F)cc1Cl 16015629 SZENBTYQTCWUMQ-UHFFFAOYSA-N 350.752 3.763 0 40 FHAB CCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@H]1c1cccc(O)c1 7738666 PWICCCMHLLONRX-HXUWFJFHSA-N 363.417 3.752 0 40 FHAB CC(C)Cc1nnc(NC(=O)CCC(=O)Nc2ccc(Cl)cc2)s1 9286859 WQLDKTVDTUKOKY-UHFFFAOYSA-N 366.874 3.747 0 40 FHAB COc1ccc(CCNC(=O)c2oc3ccc(F)cc3c2C)cc1OC 7956194 DDNVKQCTXAZDMD-UHFFFAOYSA-N 357.381 3.870 0 40 FHAB O=C(CCNC(=O)Nc1ccccc1)Nc1ccc(-c2nccs2)cc1 8076367 KGFPKCLYLYBNJK-UHFFFAOYSA-N 366.446 3.960 0 40 FHAB CC(=O)N[C@@H]1C(=O)N(CCCOc2cccc(C)c2)c2ccc(Cl)cc21 8048033 JAESBMZYXUZILJ-IBGZPJMESA-N 372.852 3.641 0 40 FHAB COc1ccc(O[C@@H](C)C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1 8160933 KKZSASAAFNHRIB-YWZLYKJASA-N 371.433 3.659 0 40 FHAB CN(C)[C@H](CNC(=O)c1cccn1Cc1cccs1)c1cccs1 70004352 UZEWIAASTMQTKR-MRXNPFEDSA-N 359.520 3.692 0 40 FHAB CCn1ncc(CN(C)Cc2csc(-c3ccc4c(c3)OCO4)n2)c1C 17075949 SAEBPJRFDACSKB-UHFFFAOYSA-N 370.478 3.696 0 40 FHAB c1ccc(CCN2CN(Cc3ccccn3)Cn3c2nc2ccccc23)cc1 9423813 PZHSDHPPTHYOMG-UHFFFAOYSA-N 369.472 3.911 0 40 FHAB CCOC(=O)C[C@H](NCc1ccc2c(c1)OCO2)c1ccccc1Cl 19848722 IPGLZCKRRGVLFN-INIZCTEOSA-N 361.825 3.853 0 40 FHAB COCc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)cc1 72049043 XEHINEZHXHPPKF-NRFANRHFSA-N 352.478 3.708 0 40 FHAB C[C@H](OC(=O)c1ccc(N2CCCCCC2)nc1)c1nc(C2CC2)no1 84667673 NLGWEWNSJBWLCB-ZDUSSCGKSA-N 356.426 3.640 0 40 FHAB C[C@@H](c1ccccc1)n1cnnc1SCc1ccc2c(c1)OCCO2 84660488 ZIHZKNFTILRPIH-AWEZNQCLSA-N 353.447 3.951 0 40 FHAB CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2C)cc1 95952867 LNAYYQIDUHGDFR-GOSISDBHSA-N 370.474 3.548 0 40 FHAB O=C(CCn1ccc2ccccc21)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 75107485 CQKJITGFELZOGO-SZPZYZBQSA-N 373.500 3.622 0 40 FHAB CCOc1ccc(NC(=O)CSc2noc(Cc3ccccc3)n2)cc1 28527347 VTSWTDIGVBETEM-UHFFFAOYSA-N 369.446 3.790 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)cc1 408550471 CRWJYHAZHASZMV-INIZCTEOSA-N 374.506 3.732 0 40 FHAB COC(=O)c1cn([C@@H](C)C(=O)Nc2cccc(OC)c2)c2ccccc12 409205433 CMYGOGYPHAJTSN-ZDUSSCGKSA-N 352.390 3.636 0 40 FHAB O=C1S/C(=C\c2ccccc2O)C(=O)N1CCOc1ccc(F)cc1 409053150 XYYRRGJRFXLBOZ-WJDWOHSUSA-N 359.378 3.647 0 40 FHAB Cc1ccc(NC(=O)CNC(=O)c2ccc(COc3ccccc3)o2)cc1 408561731 KQBQVXVSRZJODQ-UHFFFAOYSA-N 364.401 3.536 0 40 FHAB Cc1ccc(CN2CCC[C@H]2c2nc(-c3ccc(N(C)C)nc3)no2)cc1 35426278 GZGBIKBNCDJBEU-SFHVURJKSA-N 363.465 3.843 0 40 FHAB biogenic,in-vitro c1cc2cc3c(cc2c2c1C[C@@H]1c4cc5c(cc4CCN1C2)OCO5)OCO3 31719556 JTWGJPMYQMXGHT-LJQANCHMSA-N 373.408 3.953 0 40 FHAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccc(N(C)C)nc1 30576696 UFYBVLZZLPRDCA-UHFFFAOYSA-N 370.453 3.895 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(OC(C)C)nc2)cc1 72211908 UEAVNCJPAXKCGN-GOSISDBHSA-N 360.479 3.703 0 40 FHAB O=C(NCc1ccc(-c2ccncc2)cc1)N1C[C@]2(CCCO2)[C@H]1C1CC1 556751944 SKAVPPUZXIZRQD-IFMALSPDSA-N 363.461 3.602 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2C)c1 31706014 XDQGVFZXAUFTEI-CVEARBPZSA-N 357.450 3.965 0 40 FHAB C[C@H](Cc1ccccc1F)N1CC[C@]2(CCc3ccccc3C(=O)N2)C1 72395785 RAMNQILXCKTTEZ-OPAMFIHVSA-N 352.453 3.577 0 40 FHAB COC(=O)c1cccc(NC(=S)NCc2ccc(OC(C)C)cc2)c1 225447091 UBRKIHWTEOLJJQ-UHFFFAOYSA-N 358.463 3.747 0 40 FHAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cc(C)ccc1C 225404589 VQHKXBOYJHLPAI-INIZCTEOSA-N 372.896 3.663 0 40 FHAB CCc1ccc(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 225425337 ZHDMTDYKEAQPOL-UHFFFAOYSA-N 362.429 3.953 0 40 FHAB CCOC(=O)Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)cc1 225900537 PULMWDSLLHUDFT-UHFFFAOYSA-N 368.364 3.839 0 40 FHAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1 223785448 AFLJLEKWORBHCK-OALUTQOASA-N 364.474 3.986 0 40 FHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1Cl 223185424 JVDQYPBDNIBZCH-LBPRGKRZSA-N 365.882 3.877 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 223223175 HFDNIYHXHBPPAE-FQEVSTJZSA-N 370.468 3.620 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 224134788 IRKUKGWQQFEFIW-IBGZPJMESA-N 372.896 3.826 0 40 FHAB O=C(c1ccco1)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 42380086 OFEYPODEQGUBRP-GFCCVEGCSA-N 357.410 3.957 0 40 FHAB Cc1ccc(CN2CCC3(CC2)C[C@@H](OCc2cccnc2)CO3)s1 96047877 HGUHSELATNMKKN-GOSISDBHSA-N 358.507 3.792 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCc1c(C)noc1C 96232504 MBRGQUJTORMDDW-IBGZPJMESA-N 367.449 3.908 0 40 FHAB Cc1ccc2c(c1)OC1(CCN(Cc3ncc[nH]3)CC1)[C@H]1CCCO[C@H]21 257210399 BULLBIHXRYNVCA-FXAWDEMLSA-N 353.466 3.613 0 40 FHAB Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C[C@H]1CCCO1 260916573 JPDOXEMRVZTBDI-BMFZPTHFSA-N 359.520 3.603 0 40 FHAB c1ccc2c(CCCn3cnc4c3CCNC43CCOCC3)cccc2c1 1615591171 QEADDHFMYNAVRW-UHFFFAOYSA-N 361.489 3.821 0 40 FHAB COc1ccc(-c2nsc(NC(=O)[C@H]3C[C@H]3c3ccccc3)n2)cc1 1775976812 UZBBLYQQLZQFPD-HOTGVXAUSA-N 351.431 3.956 0 40 FHAB COc1cc(Cl)ccc1S(=O)(=O)N(C)[C@H](C)Cc1ccc(C)cc1 606462937 BECZYJVMEPKIGO-CQSZACIVSA-N 367.898 3.909 0 40 FHAB CN(C)c1ncccc1CNC(=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 623421992 FQQVXLWHGGHHHO-MRXNPFEDSA-N 374.435 3.515 0 40 FHAB O=C(NC1CC1)c1ccc(N2CCc3cccc(C(F)(F)F)c3C2)nc1 624654136 FMXMXDUIDPZZEO-UHFFFAOYSA-N 361.367 3.555 0 40 FHAB Cn1c(C2CC2)nn(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1=S 54466339 YNGJAELUZWRXLX-CQSZACIVSA-N 369.494 3.807 0 40 FHAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 7071073 FSCUNFDRVJXMNB-SEEODLKFSA-N 353.827 3.718 0 40 FHAB COc1ccccc1NC(=O)CCS[C@H]1CCc2ccccc2NC1=O 12409021 NGCJWVVQVHPXTK-SFHVURJKSA-N 370.474 3.711 0 40 FHAB CN(CCNC(=O)c1cc(Br)ccc1Cl)c1ccccc1 12611686 HHXGEMMGYBJDCM-UHFFFAOYSA-N 367.674 3.969 0 40 FHAB Cc1noc(C)c1CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 12734140 UCSFVTOFQOGNOY-UHFFFAOYSA-N 360.410 3.826 0 40 FHAB CC(C)Oc1ccc(-c2csc(NC(=O)[C@H](C)n3ccnc3)n2)cc1 19450724 ACLHBWRPOGVGSH-ZDUSSCGKSA-N 356.451 3.994 0 40 FHAB C[C@H](Cc1ccccn1)NC(=O)[C@@H](C)Oc1cccc(C(F)(F)F)c1 19456984 PILYLAIVUQJPJL-CHWSQXEVSA-N 352.356 3.615 0 40 FHAB CCC(=O)N1CC[C@](Cc2cccc(-c3ccccc3)c2)(C(=O)N(C)C)C1 19498441 XHGGRKWGZJZYFV-HSZRJFAPSA-N 364.489 3.613 0 40 FHAB COc1ccc(C)cc1NC(=O)c1nnc2c(-c3ccccc3)cnn2c1C 19817064 NAYIXHSUFUTODO-UHFFFAOYSA-N 373.416 3.669 0 40 FHAB Cc1cccc(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)c1 19937593 MBGDHUUZDBVXPH-UHFFFAOYSA-N 353.809 3.580 0 40 FHAB Clc1cnccc1OCC1CCN(c2ncnc3ccccc23)CC1 1889186362 JBQBYCVGFGFYEI-UHFFFAOYSA-N 354.841 3.974 0 40 FHAB O=c1c(Cl)c(NC[C@@H]2COc3ccccc3C2)cnn1-c1ccccc1 26758629 QXAIWMQCXSNOPQ-CQSZACIVSA-N 367.836 3.549 0 40 FHAB C[C@H]1Oc2ccc(NC(=O)CCC(=O)c3ccc(Cl)cc3)cc2NC1=O 30560357 LGPLOZPLAAMBSY-LLVKDONJSA-N 372.808 3.661 0 40 FHAB CCn1cc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c2ccccc21 32784664 LPZDHCXLMPPBDI-AWEZNQCLSA-N 350.418 3.923 0 40 FHAB O=C1COC[C@]2(CCN(Cc3ccc(Cl)cc3)C2)CN1c1ccccc1 2037984365 YPQYSJAYTAQUTE-NRFANRHFSA-N 370.880 3.596 0 40 FHAB CC(C)n1c(=O)c2oc3ccccc3c2n(Cc2ccc(F)cc2)c1=O 4316414 KRTBFLBRVXXKIO-UHFFFAOYSA-N 352.365 3.678 0 40 FHAB O=C(CCS(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1Cl 4325639 JGIQQIFIYTTYLJ-UHFFFAOYSA-N 358.246 3.796 0 40 FHAB O=C(Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2)c1cccc(Cl)c1 9037926 OWUQRUKVUZUWSJ-UHFFFAOYSA-N 354.837 3.887 0 40 FHAB O=C(NCC1(c2cccs2)CCCC1)[C@@H]1CC(=O)N(c2ccccc2)C1 13803223 SCLKXCPKZAHYME-MRXNPFEDSA-N 368.502 3.729 0 40 FHAB Cc1ccc(C(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)cc1 13009528 VZERQAKYQZHDQS-UHFFFAOYSA-N 370.416 3.967 0 40 FHAB O=C(c1ccn(C2CCCC2)n1)N1CCO[C@@H](c2ccccc2Cl)C1 152421449 IYIAMYVTNARYEN-GOSISDBHSA-N 359.857 3.865 0 40 FHAB Cc1cccnc1NC(=O)Cn1c(=O)n(C2=CCCCC2)c2ccccc21 40143962 LSBNIBFFVLVPQW-UHFFFAOYSA-N 362.433 3.560 0 40 FHAB CC1(C)C[C@H]2C[C@@](C)(CN2CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 100745707 PEVHSLDAYIFANO-QMHKHESXSA-N 365.521 3.953 0 40 FHAB biogenic COc1ccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)cc1Cl 20725687 HXZBEUOYQWWDLT-DNVCBOLYSA-N 372.852 3.897 0 40 FHAB COc1ccc(OCc2c(C)nn(-c3ccccc3)c2Cl)c(C(N)=O)c1 51970082 OMKOJWIZUGWEIN-UHFFFAOYSA-N 371.824 3.521 0 40 FHAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1sccc1C(N)=O 2627234 ULPJIJMEXRFMDC-UHFFFAOYSA-N 352.843 3.607 0 40 FHAB CCCOc1ccccc1N1C(=O)C[C@@H](Nc2ccccc2CC)C1=O 2649539 RBVNSUQLKMXYTJ-QGZVFWFLSA-N 352.434 3.782 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc3c(c2)NC(=O)CS3)cc1 8707199 PHTWXQNOYQRUSJ-KRWDZBQOSA-N 368.458 3.717 0 40 FHAB Cc1ccc(C(=O)Nc2ccc(I)cn2)c(C)c1 1311415 HYDKTDIMYYTWMX-UHFFFAOYSA-N 352.175 3.555 0 40 FHAB O=C(Nc1nc(CN2CCCCC2)cs1)[C@@H]1CCOc2ccccc21 76851486 RSZODCVRPOCHQM-MRXNPFEDSA-N 357.479 3.634 0 40 FHAB Cc1cc(C)cc(NC(=O)CCN2CCN(c3ccccc3F)CC2)c1 2786354 FLNICQWTFUZWCK-UHFFFAOYSA-N 355.457 3.593 0 40 FHAB O=c1cc(CSc2ncnc3sc4c(c23)CCC4)nc2sccn12 3471192 VGAGYLRICMCFHY-UHFFFAOYSA-N 372.500 3.542 0 40 FHAB CC(C)(CCc1ccccc1)NC[C@@H](O)c1ccc2c(c1)CCC(=O)N2 4212184 YYUZPBGIBVJYSI-HXUWFJFHSA-N 352.478 3.606 0 40 FHAB in-man Cc1ccc(Cn2nc(C)c(NS(=O)(=O)c3cccs3)c2C)cc1 2779137 BNODKDDTQNDHHX-UHFFFAOYSA-N 361.492 3.719 0 40 FHAB CCOc1cc(/C=C(\Sc2nnc(C)[nH]2)C(=O)O)ccc1OC(C)C 6537644 CUIHLOIUXFAHNE-DHDCSXOGSA-N 363.439 3.517 0 40 FHAB CCCCC(=O)NC(=S)Nc1ccc(Cc2c(C)nn(C)c2C)cc1 6593855 NLLPALWIQBJBTH-UHFFFAOYSA-N 358.511 3.631 0 40 FHAB COc1ccc(CC(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1 6607850 QTDVSENWXIITMT-UHFFFAOYSA-N 358.781 3.685 0 40 FHAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2cccc(C)c2C)CC1=O 7610028 DZJIYZIHVBECOC-CQSZACIVSA-N 372.852 3.957 0 40 FHAB COc1c(S(=O)(=O)n2cnc3ccccc32)ccc(Cl)c1Cl 786208 FNOSHXLAQQVVOE-UHFFFAOYSA-N 357.218 3.589 0 40 FHAB CN(Cc1cc2ccccc2n(C)c1=O)C(=S)Nc1cccc(F)c1 12323047 OKXZNOJNORZASK-UHFFFAOYSA-N 355.438 3.506 0 40 FHAB COC(=O)c1ccc2c(c1)[C@H]1C[C@](C)(O2)N(c2cccc(C)c2)C(=O)N1 101085027 SEWMNBDHGSRFPY-UZLBHIALSA-N 352.390 3.551 0 40 FHAB C[C@@H](C(=O)Nc1ccccc1Cl)N1CCN(Cc2ccsc2)CC1 22785796 SUHDZYKGHREGEH-AWEZNQCLSA-N 363.914 3.546 0 40 FHAB COc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(C)C)CC2=O)cc1 806745 CNPZSTNHATVAME-OAHLLOKOSA-N 352.434 3.810 0 40 FHAB Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CNC[C@@H](c1ccco1)N(C)C 23249333 FWANGFMIFGHTSR-MOPGFXCFSA-N 374.525 3.518 0 40 FHAB Cn1cc(C(=O)Nc2nc3c(s2)CCCCC3)c2ccccc2c1=O 61718425 OQQNRPGYOGMRCA-UHFFFAOYSA-N 353.447 3.516 0 40 FHAB O=C([C@H]1CCCN(Cc2ccccc2F)C1)N1CCc2ccccc2C1 1275931 UFFZQDPZWYJGEY-FQEVSTJZSA-N 352.453 3.623 0 40 FHAB COc1ccc(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1 3237560 JIMATSCWZFPGKX-UHFFFAOYSA-N 366.417 3.681 0 40 FHAB O=c1oc2c3c(c(Cl)cc2c2c1CCC2)OCN(Cc1cccnc1)C3 57128611 ILWNGRBDHNYXNQ-UHFFFAOYSA-N 368.820 3.682 0 40 FHAB Cc1ccc(-n2ccc3nc4ncnn4c(-c4ccccc4)c3c2=O)c(C)c1 22607900 BXHGNHKTAZJLOE-UHFFFAOYSA-N 367.412 3.712 0 40 FHAB CCCOC(=O)c1cccc(NC(=O)[C@@]23CC[C@](C)(C(=O)C2)C3(C)C)c1 100814679 IHTLCXDXZUISPB-NHCUHLMSSA-N 357.450 3.977 0 40 FHAB O=C(CCc1ccc(F)c(F)c1)Nc1cc(F)cc(N2CCOCC2)c1 58179612 SIVJKYRAPQKLIM-UHFFFAOYSA-N 364.367 3.512 0 40 FHAB O=C(Nc1ccn(Cc2ccncc2)n1)Nc1ccccc1C(F)(F)F 58193437 HOIUUHGBGFGNPD-UHFFFAOYSA-N 361.327 3.989 0 40 FHAB O=C(NCc1ccccc1)c1cc(-c2ccc(Br)cc2)[nH]n1 44838872 XFWSNSRFOQBNMX-UHFFFAOYSA-N 356.223 3.769 0 40 FHAB O=Cc1cn(CC(=O)Nc2cccc(Br)c2)c2ccccc12 51318961 JPJWJMNRNSXOJU-UHFFFAOYSA-N 357.207 3.855 0 40 FHAB CCn1c(CN(C)C(=O)NC[C@H](OC)c2ccccc2)nc2ccccc21 58210226 HNPPJWVFLCGSTG-IBGZPJMESA-N 366.465 3.585 0 40 FHAB CC1(C)CC(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC(C)(C)N1 58407168 WEWCSLONGMAIMO-UHFFFAOYSA-N 364.433 3.701 0 40 FHAB COCCCn1c2c(c(SCc3ccccc3Cl)nc1=O)CCC2 28286806 XWUYJVQPKAHIDG-UHFFFAOYSA-N 364.898 3.714 0 40 FHAB C[C@@H]1CCc2c(sc3nc(SCCO)n(C4CCCC4)c(=O)c23)C1 12811203 AIWXQMHFGLHCLJ-LLVKDONJSA-N 364.536 3.782 0 40 FHAB C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 45988433 NMJFUISQLISYSU-QFBILLFUSA-N 373.497 3.639 0 40 FHAB CCc1ccc(N2C[C@@H](C(=O)NC[C@@H](C)c3ccccc3)CC2=O)cc1 408707991 MWWJTQLFJNQNNW-APWZRJJASA-N 350.462 3.522 0 40 FHAB C[C@@]1(C(=O)Nc2cccc(OC(F)(F)F)c2)Cc2ccccc2C(=O)O1 12981522 YKSNVYKFPKTDDB-KRWDZBQOSA-N 365.307 3.696 0 40 FHAB COc1ccc(CN(C)C[C@@H](O)COc2ccccc2C(C)C)cc1OC 12926346 YQJZIUABXLRYRG-GOSISDBHSA-N 373.493 3.699 0 40 FHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@@H](C)c1ccccc1Cl 6005685 WBAUCHVLVNRBSH-LBPRGKRZSA-N 352.839 3.970 0 40 FHAB CCN(CC)CCNc1nc(-c2cccc(OC)c2O)nc2ccccc12 5024811 FWDOFICFVFGQST-UHFFFAOYSA-N 366.465 3.765 0 40 FHAB COc1ccc2nc(NC(=O)c3cc4ccccc4oc3=O)sc2c1 8972258 UNNMQVFOBBTABI-UHFFFAOYSA-N 352.371 3.664 0 40 FHAB O=C1SCCN1CCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 39998458 KJZHBCGHPPLNSN-SFHVURJKSA-N 372.515 3.781 0 40 FHAB Cc1nnc2sc(-c3ccc(NC(=O)/C=C/c4ccccc4)cc3)nn12 6223811 OQHSYMDOGURWIZ-KPKJPENVSA-N 361.430 3.813 0 40 FHAB c1c[nH]c(-c2nnc(SCCCc3nc(-c4cccs4)no3)o2)c1 19357519 MSPLGFARRWHFOR-UHFFFAOYSA-N 359.436 3.901 0 40 FHAB CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2)nc2ccccc2c1=O 5213623 FBCIQPGROQYZQB-CQSZACIVSA-N 367.474 3.844 0 40 FHAB COC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 5260054 LSOUIHHZYUHAHB-UHFFFAOYSA-N 360.218 3.581 0 40 FHAB Cc1c(C)n(Cc2ccncc2)c2ncn3nc(-c4cccs4)nc3c12 9060773 LXEIAXAWGZDWQH-UHFFFAOYSA-N 360.446 3.868 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1cccc(Cl)c1F 14077303 UOLSIZAQAGTJRY-UHFFFAOYSA-N 351.761 3.708 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 14085190 ATOWBBZNOKZYIH-NSHDSACASA-N 362.813 3.713 0 40 FHAB Cn1cc(C(=O)Nc2cccc(F)c2)c(-c2ccc3c(c2)OCCCO3)n1 14158698 UHBUTSAFRJHXIF-UHFFFAOYSA-N 367.380 3.640 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)CN1C(=O)CC2(CCCCC2)C1=O 14197382 MSKKUDLSRVIJPI-UHFFFAOYSA-N 356.466 3.766 0 40 FHAB C[C@H]1CC(=O)c2c(OCC(=O)N[C@@H](C)c3ccc(F)cc3)ccc(F)c21 14110660 XJPSRTPRAWDLCZ-RYUDHWBXSA-N 359.372 3.911 0 40 FHAB CCOC(=O)C1(c2ccccc2)CCN(CCOc2ccccc2)CC1 4547481 UHGVOIJOFSZPSF-UHFFFAOYSA-N 353.462 3.662 0 40 FHAB O=C(COc1ccc(Cl)cc1)NC[C@@H](c1cccs1)N1CCCC1 14246677 SKJWULBECSSGBO-INIZCTEOSA-N 364.898 3.734 0 40 FHAB O=C(Cn1c(-c2cscn2)nc2ccccc21)NC1CCCCCC1 6508686 JTPVEFHONLBHER-UHFFFAOYSA-N 354.479 3.999 0 40 FHAB COc1ccc(C(=O)Nc2cccc(C(=O)OCC(=O)C(C)(C)C)c2)cc1 4610492 QIOOJOYONSJEBL-UHFFFAOYSA-N 369.417 3.720 0 40 FHAB Cc1nccn1CCc1nc2cc(NC(=O)C3CCCCC3)ccc2n1C 6665564 HFQKLCKGBOFUQD-UHFFFAOYSA-N 365.481 3.840 0 40 FHAB COC(=O)c1[nH]c2ccc(C)cc2c1NS(=O)(=O)c1ccc(C)c(C)c1 5684198 XYEKOOBKCVFMBS-UHFFFAOYSA-N 372.446 3.681 0 40 FHAB O=S(=O)(NCCc1csc(-c2cccs2)n1)c1ccccc1F 6756572 KSIACOJYWRJKHL-UHFFFAOYSA-N 368.480 3.532 0 40 FHAB CCc1ccc(Nc2nn[nH]c2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 67283546 YCDCZXAZONLRGS-LBPRGKRZSA-N 353.401 3.741 0 40 FHAB Cc1nnc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)o1 7787332 FPFAZHMPACUKSM-UHFFFAOYSA-N 359.389 3.791 0 40 FHAB CCOC(=O)c1c(C)[nH]c(-c2nc(NC[C@H]3CCCO3)sc2C)c1C 7785871 YBDAQMNXJWOCJN-CYBMUJFWSA-N 363.483 3.831 0 40 FHAB Cc1cccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4O)nc32)n1 9304004 AJYHFBUMLLQQLO-UHFFFAOYSA-N 370.416 3.761 0 40 FHAB Cc1noc(C)c1CC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 8134918 IAKKPVBXOQZJBS-UHFFFAOYSA-N 352.419 3.849 0 40 FHAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc(C(C)=O)cc2)cc1 9577653 JKAGGHZYULTRBV-FQEVSTJZSA-N 352.434 3.673 0 40 FHAB Cc1ccc2cc(CN(C)CCCN3CCN(C)CC3)c(Cl)nc2c1C 72308464 HHTYVPVWRQTSHJ-UHFFFAOYSA-N 374.960 3.574 0 40 FHAB Cn1c(NC[C@H](c2ccccc2Cl)N2CCOCC2)nc2ccccc21 84314090 RJCWHOOBPJHSAW-LJQANCHMSA-N 370.884 3.712 0 40 FHAB CCOc1cccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 20177710 JSDAIGXTCLHOOI-JXMROGBWSA-N 350.462 3.557 0 40 FHAB O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1cccc2[nH]cnc12 95972353 IBSFSHQZOVADBV-UHFFFAOYSA-N 362.364 3.819 0 40 FHAB COc1c(Cl)cc(Cl)cc1C(=O)NCc1ccc(C(=O)O)cc1 20141337 SYETVJHKTHNPOK-UHFFFAOYSA-N 354.189 3.630 0 40 FHAB COc1ccc(Br)cc1/C=C1\SC(=O)N(C(C)C)C1=O 409060025 USSQNSDHIZREPO-GHXNOFRVSA-N 356.241 3.902 0 40 FHAB Cc1cccc(N2CCN([C@H](C)C(=O)N[C@H](C)c3ccccc3)CC2)c1C 34684890 OMYIVZZQDVTDRA-WOJBJXKFSA-N 365.521 3.691 0 40 FHAB CCCN1CCC(NC(=O)CCCOc2cccc3ccccc23)CC1 36391177 AKGFSJNFIKYEJQ-UHFFFAOYSA-N 354.494 3.989 0 40 FHAB Cc1cc(C)cc(C(=O)N2CCCC[C@H]2C(=O)Nc2nc(C)cs2)c1 540209069 DQOVIIUNZGJIJH-INIZCTEOSA-N 357.479 3.702 0 40 FHAB Cc1ccc2cccc(C(=O)N3CCC[C@@]4(C3)OC(=O)c3ccccc34)c2n1 211112085 ATBATBSHBRQRCZ-QHCPKHFHSA-N 372.424 3.845 0 40 FHAB C[C@@H]1[C@@H](OC(=O)c2cccc(N3C(=O)CCC3=O)c2)C[C@H]2C[C@@H]1C2(C)C 34863208 IGPLREQKGCQVKF-YVVXQTMVSA-N 355.434 3.568 0 40 FHAB COc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2oc(C)cc(=O)c2O)cc1 1547200765 DTIVBLAUPOEOJJ-UHFFFAOYSA-N 366.295 3.738 0 40 FHAB Nc1cc(-c2nn3c(C(F)(F)F)nnc3s2)c(Cl)cc1Cl 73634341 HIEIBSYQMQKLIH-UHFFFAOYSA-N 354.144 3.761 0 40 FHAB Cc1cccc(CSCCNC(=O)c2ccc(N3CCCC3=O)cc2)c1 219198331 CPXNMFNBKXJHRH-UHFFFAOYSA-N 368.502 3.785 0 40 FHAB CCOCc1ccccc1CNS(=O)(=O)c1cccc(C(F)(F)F)c1 30519282 ALHWSTKXRVAWPY-UHFFFAOYSA-N 373.396 3.720 0 40 FHAB C[C@H](NC(=O)c1ccc2c(c1)OCCCO2)c1ccc2c(c1)OCCCO2 32281646 TZOYOAWMCFKLGD-AWEZNQCLSA-N 369.417 3.500 0 40 FHAB Cc1cc(CNC(=O)OC(C)(C)C)cnc1N1CCc2ccccc2C1 72222842 UVGVNGVFGITGMU-UHFFFAOYSA-N 353.466 3.977 0 40 FHAB CCCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(C)=O 223048827 VXCKACYNMBCWPO-QFIPXVFZSA-N 366.505 3.953 0 40 FHAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)NCCc1cccc(Cl)c1)[C@@H]2C(=O)O 222483050 RETBMQRJDXWTDX-CWLKWCNXSA-N 361.869 3.692 0 40 FHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 222778558 RBTLEQWPAAASKI-ZWKOTPCHSA-N 352.463 3.517 0 40 FHAB CC[C@H](NC(=O)COc1ccc(C)cc1C)c1ccc(OC)c(OC)c1 222830141 JTZMXSZMOOKNSZ-KRWDZBQOSA-N 357.450 3.967 0 40 FHAB CC[C@H](NS(=O)(=O)c1ccc(F)c(C)c1)c1ccc(OC)c(C)c1 225611218 CQHJHFUQEJBRNH-KRWDZBQOSA-N 351.443 3.881 0 40 FHAB COc1cccc(OCCNC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 224288597 NULYHTBBYXWCQL-MRXNPFEDSA-N 365.429 3.811 0 40 FHAB CC[C@H](C)NC(=O)CCc1ncc(-c2ccc(Br)cc2)o1 224874133 MGYOIQCXJPWWJG-NSHDSACASA-N 351.244 3.951 0 40 FHAB Cc1ccccc1NC(=O)CCNC(=O)c1ccc2oc(Cl)nc2c1 225980192 UJXHRKJTHVWLJU-UHFFFAOYSA-N 357.797 3.548 0 40 FHAB CCn1c(=O)sc2cc(NC(=O)[C@H](C)Oc3cccc(C)c3)ccc21 225097813 BNFMDQRUWKEJAJ-ZDUSSCGKSA-N 356.447 3.797 0 40 FHAB O=C(c1ccccc1)N1CCC2(CC1)CCn1c(-c3ccncc3)cnc12 96263431 LHKQPXJAVKJOTN-UHFFFAOYSA-N 358.445 3.523 0 40 FHAB O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2CN(CCCc3ccccc3)[C@H]2C1 96244869 LARNIUFPZLBEBH-FPOVZHCZSA-N 368.908 3.658 0 40 FHAB S=C(Nc1ccccc1)Nc1nnc(CCOc2ccccc2)s1 95116364 GUPYGCGLVPKRMK-UHFFFAOYSA-N 356.476 3.969 0 40 FHAB CC(C)Oc1ccc(CNC(=O)N2C[C@@H]3CC[C@H](C2)O3)c(C(F)(F)F)c1 608665933 JMIYJQZTKILMDF-GASCZTMLSA-N 372.387 3.565 0 40 FHAB Cc1nn(C)c(NC(=O)N[C@@H](C)c2ccc(F)cc2F)c1Br 640164738 BLLLBUIFJZLJTO-ZETCQYMHSA-N 373.201 3.652 0 40 FHAB c1ccc2nc(CN3CCN(c4nc5ccccc5s4)CC3)cnc2c1 660030839 JGDIMGWUVQUNLY-UHFFFAOYSA-N 361.474 3.562 0 40 FHAB O=C(Nc1ccc2c(c1)OCCCO2)Nc1c[nH]nc1-c1ccccc1 679330870 VNYZSZKVPXMIEB-UHFFFAOYSA-N 350.378 3.882 0 40 FHAB C[C@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)[C@@H](C)CN1C 1264016748 YMBMJWTUEDXIQC-QWRGUYRKSA-N 368.264 3.813 0 40 FHAB O=C(Cc1ccc(F)cc1)NCc1ccc(C(=O)c2ccccc2)s1 96119862 NBABFDQPCATYCQ-UHFFFAOYSA-N 353.418 3.977 0 40 FHAB Cc1sc(CCN2CCOC2=O)nc1-c1ccc(Br)cc1 45816908 FUEMGHFRFARCID-UHFFFAOYSA-N 367.268 3.876 0 40 FHAB COC(=O)COc1ccc(C(=O)OC2CCCCCCC2)cc1OC 62580109 MYGCGUDGJKZDOK-UHFFFAOYSA-N 350.411 3.517 0 40 FHAB CCCNC(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 5043263 UYRDQGYKRCHUNH-UHFFFAOYSA-N 359.373 3.764 0 40 FHAB COc1ccc(O[C@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)cc1 11217530 GXOPNALRWUEAKM-GFCCVEGCSA-N 355.419 3.620 0 40 FHAB Cc1ccc(NC(=O)CCCNC(=O)NC2CCCCC2)cc1Cl 12866430 GBWRYVKFEHIPFU-UHFFFAOYSA-N 351.878 3.999 0 40 FHAB CC[C@H](C)NC(=O)COc1ccc(Cl)cc1C(=O)Nc1ccccc1 13057256 NTRVBABQQNXZFZ-ZDUSSCGKSA-N 360.841 3.886 0 40 FHAB O=C(O)Cc1csc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)n1 13404752 QIEQZBMKYZSLPN-DUXPYHPUSA-N 357.218 3.729 0 40 FHAB COc1ccc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1C 13673524 KIVXNRLUZVTOFK-INIZCTEOSA-N 361.463 3.584 0 40 FHAB COc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 14006300 WSXSNXDRFUKDOG-AWEZNQCLSA-N 370.449 3.630 0 40 FHAB Cc1cccc(-n2cc(C(=O)N3C[C@H](C)Sc4ccccc43)nn2)c1 155645993 SGPZUXAEQFKKJI-AWEZNQCLSA-N 350.447 3.717 0 40 FHAB Cc1nc(C[C@@H]2CCCN(C(=O)N[C@H](C)c3ccc(C)c(F)c3)C2)no1 156775572 IMXFQCQIJMZZCT-HIFRSBDPSA-N 360.433 3.551 0 40 FHAB O=C1CCCC[C@]2(CN(Cc3ccccc3F)C[C@H]2c2ccccc2F)N1 19349448 KXHIMDNUIOUBQU-PGRDOPGGSA-N 370.443 3.993 0 40 FHAB CC(C)Oc1cccc(CN2CC[C@@]3(CCc4ccccc4C(=O)N3)C2)c1 19450852 LQGTXSMUTIVOCI-QHCPKHFHSA-N 364.489 3.795 0 40 FHAB Cc1cccn2c(=O)cc(CN(C)Cc3ccc(C(F)(F)F)cc3)nc12 32510945 OPFTZCUCPNMKOY-UHFFFAOYSA-N 361.367 3.654 0 40 FHAB CN(c1ncc(Cl)cn1)C1CCN(c2ccnc(C(F)(F)F)c2)CC1 1889098455 QRTJDNLXBPZGLM-UHFFFAOYSA-N 371.794 3.649 0 40 FHAB C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(OC2CCOCC2)nc1 244909812 AWRRSWVHXQVBIF-AWEZNQCLSA-N 370.424 3.760 0 40 FHAB CN(C(=O)C(C)(C)C)[C@@H]1CCCN(c2cnc3cc(Cl)ccc3n2)C1 2087143975 FOKPJCXLPVLQDU-CQSZACIVSA-N 360.889 3.757 0 40 FHAB CCOc1ccc(NC(=O)c2cccn(Cc3cccc(C)c3)c2=O)cc1 5269655 GOBPYLCXIQJAOC-UHFFFAOYSA-N 362.429 3.856 0 40 FHAB CCNC(=O)Cc1csc(SCc2ccc(Br)cc2)n1 8854514 WCRWTVRVZHPXQI-UHFFFAOYSA-N 371.325 3.877 0 40 FHAB Cc1csc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)n1 8909632 CHPMXUYHGJFVEV-UHFFFAOYSA-N 363.398 3.504 0 40 FHAB O=C1CCC2(CCN(Cc3ccc(F)c(F)c3)CC2)N1Cc1cccnc1 2055819362 OGJCYZIJKWVYQY-UHFFFAOYSA-N 371.431 3.517 0 40 FHAB CN(C)c1ccc(C(=O)N2CCC(COCc3ccccc3)CC2)cc1 49028631 CYVXIVLWAUSCAB-UHFFFAOYSA-N 352.478 3.822 0 40 FHAB C[C@@H](NC(=O)NC[C@H]1COc2ccccc2O1)c1ccc(Cl)s1 40086448 ZCLUDGQEOIFKRH-MNOVXSKESA-N 352.843 3.602 0 40 FHAB COc1ccc(-c2cc3n(n2)[C@H](C(=O)Nc2ccccc2)CC(O)=N3)cc1 20737005 KFVOPRSVQXWGRM-KRWDZBQOSA-N 362.389 3.730 0 40 FHAB O=C(Cn1ccc2cc(Br)ccc21)NC1Cc2ccccc2C1 41128016 XQQZNTYGBZQHCY-UHFFFAOYSA-N 369.262 3.687 0 40 FHAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@H](c4cccnc4)C3=C(O)C2)cc1 102674737 HMMCCBYGWYXRHO-MGPUTAFESA-N 373.416 3.747 0 40 FHAB C[C@H]1CCCN(C(=O)CSc2ncnc3sc4c(c23)CCCC4)C1 886403 XKJDXKXRGKDFGC-LBPRGKRZSA-N 361.536 3.921 0 40 FHAB O=C(Cn1nnc2ccccc21)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 21888561 RWZYEBIKQIKXFU-UHFFFAOYSA-N 368.400 3.613 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 3549311 ZATXXBZFQUWFIL-UHFFFAOYSA-N 366.870 3.623 0 40 FHAB COc1ccccc1OCc1nnc(SCC(=O)c2ccc(C)cc2)o1 4169673 XQGJEEPPDMFJJQ-UHFFFAOYSA-N 370.430 3.941 0 40 FHAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)[C@H]1COc2ccccc2O1 2708025 SUMIUDONBPOZOM-QGZVFWFLSA-N 370.405 3.652 0 40 FHAB O=C(O)c1ccc(Cl)c(NC(=S)NC(=O)c2ccccc2Cl)c1 6884451 UKAZWSJYYICWCC-UHFFFAOYSA-N 369.229 3.818 0 40 FHAB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccccc2OC)CC1=O 7929355 JXECQXBDICPTHP-QGZVFWFLSA-N 367.445 3.779 0 40 FHAB CN(C)Cc1ccc(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)cc1 100765328 IKWCRPMLZNRWKY-FGZHOGPDSA-N 368.496 3.902 0 40 FHAB O=C(CCCNC(=O)c1ccsc1)NCc1ccc(Cl)cc1Cl 22397248 XATFHSSNHODJQJ-UHFFFAOYSA-N 371.289 3.881 0 40 FHAB CCCC[C@H]1[C@H]2C(=O)N(c3ccccc3C)C(=O)[C@@H]2ON1c1ccccc1 102727383 SXZFTHLDQXMSFV-XUVXKRRUSA-N 364.445 3.864 0 40 FHAB C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1ccc(S(C)(=O)=O)cc1 47352916 ZXVVLTXDESCXHE-LBPRGKRZSA-N 366.870 3.968 0 40 FHAB Cc1nnc(SCC(=O)Nc2ccccc2Cl)n1-c1ccccc1 897332 UVHHVTVOYMQFAH-UHFFFAOYSA-N 358.854 3.960 0 40 FHAB CC(=O)Nc1ccc2nc(NC(=O)COc3ccc(C)cc3)sc2c1 814047 BSUXPKCFZWCGQJ-UHFFFAOYSA-N 355.419 3.581 0 40 FHAB C[C@H]1CN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)CCO1 54133919 WFIKWIIJQCVYLZ-ZDUSSCGKSA-N 362.376 3.893 0 40 FHAB Cc1c(CN2CC=C(c3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C 23717942 HWNBBASTPJVSNP-UHFFFAOYSA-N 359.473 3.774 0 40 FHAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)c1ccc(Cl)s1 3273839 NUJMOXLHPPRYIB-UHFFFAOYSA-N 360.218 3.685 0 40 FHAB COc1ccc(C(=O)CSc2nccn2-c2ccccc2)c(OC)c1 26127906 XXCWMEAEYJKYMQ-UHFFFAOYSA-N 354.431 3.865 0 40 FHAB CC(C)CCNC(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1 57486635 NLGQSTDMFBVGCE-UHFFFAOYSA-N 356.401 3.507 0 40 FHAB CCCO[C@@H]1CCCN(CC(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)CC1 108395484 SMDOXWDQLVZCSI-IFMALSPDSA-N 374.525 3.544 0 40 FHAB CC(=O)Nc1ccc(OC[C@H](O)COc2cccc3ccccc23)cc1 27211899 GEAIGMJIFDSDCU-SFHVURJKSA-N 351.402 3.617 0 40 FHAB O=C(Nc1cccc2ccccc12)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 2097658 SOXIJLBYLHRUDP-DOTOQJQBSA-N 359.429 3.653 0 40 FHAB biogenic C[C@H](OCC(F)(F)F)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F 58196106 WYMCQEAGTINWCE-QMMMGPOBSA-N 358.282 3.677 0 40 FHAB CC(C)Oc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 3376226 LWTVQYKBJMDIPH-GFCCVEGCSA-N 362.813 3.706 0 40 FHAB COc1ccc(S[C@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)cc1 22523651 WQFQHFSTXDSECX-OAHLLOKOSA-N 367.474 3.678 0 40 FHAB O=C(NC1(c2ccccc2)CCC1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O 84525163 PFBRFWVJXJNCGI-GOSISDBHSA-N 368.864 3.889 0 40 FHAB COc1ccccc1CN(C[C@H]1CCCO1)C(=O)/C=C/c1csc(C)n1 58202502 SSQNXYPVUDFIGM-QZEKMECESA-N 372.490 3.681 0 40 FHAB O=C(Nc1ccc(OCCN2CCCCC2)cc1)C(Cl)(Cl)Cl 27918370 WUTZYTVLMYGWQX-UHFFFAOYSA-N 365.688 3.860 0 40 FHAB Cc1cnn(CCC(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)c1 95381754 LSTDSCKMFQWYQI-MRXNPFEDSA-N 366.490 3.949 0 40 FHAB Cc1ccc(Cl)c(OCC(=O)NCc2ccc(Cn3cccn3)cc2)c1 12784652 BMUPYNASYDWECE-UHFFFAOYSA-N 369.852 3.588 0 40 FHAB CCCCc1ccc(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cc1 12760160 ICRHAHBKKIGWRW-UHFFFAOYSA-N 355.463 3.599 0 40 FHAB CCc1ccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)cc1 12783372 KKPWOOKAVAWXEO-OKILXGFUSA-N 359.495 3.567 0 40 FHAB O=C(Nc1nncs1)c1cc(-c2cccs2)nn1-c1ccccc1 11054972 BAVFCLSBWFMLMW-UHFFFAOYSA-N 353.432 3.705 0 40 FHAB Cc1cccn2c(=O)c3cc(C(=O)Nc4cc(F)ccc4F)sc3nc12 2466979 VXNHVAORVGXVIX-UHFFFAOYSA-N 371.368 3.748 0 40 FHAB COc1cccc(-n2ccnc2SCc2nc(N)c3ccccc3n2)c1 11395032 BHYHEELYJDPRKI-UHFFFAOYSA-N 363.446 3.699 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)OCc2ccc(-n3nc(C)cc3C)cc2)c1C 48303256 IYMIVYFXZWTJOO-UHFFFAOYSA-N 365.433 3.994 0 40 FHAB Cc1noc(-c2ccc(C(=O)Nc3nc(-c4ccc[nH]4)cs3)cc2)n1 22968827 SCECWXSAOHGVSG-UHFFFAOYSA-N 351.391 3.749 0 40 FHAB O=C(COC(=O)c1ccc(F)cc1Cl)N[C@H]1CCCc2ccccc21 3449843 NBZXSCXKSJZLNQ-KRWDZBQOSA-N 361.800 3.830 0 40 FHAB COc1ccccc1CN(C)S(=O)(=O)c1ccccc1C(F)(F)F 3458014 QRXHQIDBAVZWEV-UHFFFAOYSA-N 359.369 3.535 0 40 FHAB COc1cc(CN(C)C(=O)c2cccc(N(C)C)c2)ccc1OC(F)F 17958078 PVPQHXAUEAXNAD-UHFFFAOYSA-N 364.392 3.635 0 40 FHAB COc1cc(CNC(=O)c2occc2C)ccc1OCc1ccncc1 48447150 VEKVZOWHIDDHHG-UHFFFAOYSA-N 352.390 3.501 0 40 FHAB Cc1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1F 12992972 OOCHOWGBHNJHMA-UHFFFAOYSA-N 371.437 3.833 0 40 FHAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)[C@@H]1C 6266045 LUNSEULJLQMMSX-GPMSIDNRSA-N 370.493 3.975 0 40 FHAB Cc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)Nc3cc(C)on3)cs2)cc1 18530045 BCBPPCOINRLVOL-GFCCVEGCSA-N 371.418 3.599 0 40 FHAB COC(=O)[C@H](C)NC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 5246131 CCGQLMLFUMLXAA-NSHDSACASA-N 355.419 3.646 0 40 FHAB C[C@@H](C(=O)N[C@@H]1CCc2ccccc21)n1c(S)nnc1-c1cccs1 65474963 ATJQRRXKLPWLHR-SMDDNHRTSA-N 370.503 3.660 0 40 FHAB Cc1cc(O)c2c(C)c(CC(=O)NC3CCCCCCC3)c(=O)oc2c1 5346812 RENSJMNVCAWACF-UHFFFAOYSA-N 357.450 3.887 0 40 FHAB O=C(COC(=O)c1ccc(COc2ccccc2)cc1)NC1CCCCC1 5311372 ZUAOYWLGHUEDQF-UHFFFAOYSA-N 367.445 3.871 0 40 FHAB COc1ccccc1-c1nnc2n1N=C(c1ccc(Cl)cc1)CS2 4586116 OQLOUGGMMVYJAW-UHFFFAOYSA-N 356.838 3.965 0 40 FHAB COc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 8916020 JJKHIUGVALPGRM-CQSZACIVSA-N 367.405 3.768 0 40 FHAB CCOC(=O)c1sc(NS(=O)(=O)/C=C/c2ccccc2)cc1C 6623471 GOVZNGFLPKANNT-MDZDMXLPSA-N 351.449 3.646 0 40 FHAB Cc1c(C(=O)CN2C(=O)COc3ccc(Cl)cc32)c2ccccc2n1C 4710372 RERGLBXXLALFLT-UHFFFAOYSA-N 368.820 3.748 0 40 FHAB O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc3nc(C(F)(F)F)nn3cc21 6759788 DQAYERYMTUYTFY-VIFPVBQESA-N 366.730 3.709 0 40 FHAB O=C(O)C[C@@H](CNC(=O)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1 6759808 XZVGHCZWECWKNL-AWEZNQCLSA-N 370.836 3.739 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)c2cccc3cccc1c23 4938234 JMQNVGFPXYXNAZ-INIZCTEOSA-N 358.441 3.938 0 40 FHAB Cc1c(NC(=O)c2cc(Cl)ccc2F)c(=O)n(-c2ccccc2)n1C 15576562 ZHMYSDYIVCSYHB-UHFFFAOYSA-N 359.788 3.529 0 40 FHAB COc1ccc(-c2nnc(SCCC(N)=O)n2[C@H]2CCCC[C@@H]2C)cc1 7205024 XPCALVFDWWKCGE-BBRMVZONSA-N 374.510 3.672 0 40 FHAB COC(=O)[C@@H](CC(C)C)NC(=O)Cc1coc2ccc3ccccc3c12 7984530 JIVDUAWFCGWUFX-QGZVFWFLSA-N 353.418 3.832 0 40 FHAB COc1cccc(-c2noc(CSc3nnc(C4CC4)n3C3CC3)n2)c1 7904763 JAQBCVQQGUUZRN-UHFFFAOYSA-N 369.450 3.841 0 40 FHAB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2C)c(C)n1C1CC1 8075228 CKBMNTQXKBRYKQ-UHFFFAOYSA-N 367.478 3.605 0 40 FHAB CC(=O)NCc1ccc(C(=O)Nc2ccc(C)cc2Br)cc1 9366757 RIWYZYOMVGYAOY-UHFFFAOYSA-N 361.239 3.646 0 40 FHAB Cc1cc(-n2c(S)nc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1O 17074011 ZECXFGZSUGLQOJ-VIFPVBQESA-N 358.488 3.875 0 40 FHAB CCc1ccc(-c2n[nH]c(S[C@@H](CC)C(=O)Nc3cc(C)on3)n2)cc1 9448074 SXNLDUVQDMPFNI-AWEZNQCLSA-N 371.466 3.840 0 40 FHAB CCN(CC)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19862690 VFMPQJVAYSPQCF-UHFFFAOYSA-N 351.494 3.855 0 40 FHAB C[C@H](O)CNc1nc2ccccc2n1Cc1ccc(F)c2cccnc12 72014028 GRTGXICJXTVHHN-ZDUSSCGKSA-N 350.397 3.565 0 40 FHAB O=C(Cc1c(F)cccc1F)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 87233924 QGKPEWGBNGZZSP-UHFFFAOYSA-N 354.360 3.809 0 40 FHAB Cn1cnnc1[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 95981963 WVJUVZRPRFRGLL-KFWWJZLASA-N 365.264 3.589 0 40 FHAB O=C(Nc1ccc2oc(C3CC3)nc2c1)N[C@H]1CCC[C@@H]1n1ccnc1 75092579 QTKOLDDOSHEOMY-HOCLYGCPSA-N 351.410 3.817 0 40 FHAB CC(C)C[C@H]1COCCN1c1cc(C(F)(F)F)nc(-c2cccnc2)n1 75103551 OYVJHCSBNDLEJT-AWEZNQCLSA-N 366.387 3.809 0 40 FHAB CCCCOc1ccc(C(=O)NC[C@@H]2OCCc3ccccc32)cc1OC 4141833 UDZGOXCTKHYZLM-NRFANRHFSA-N 369.461 3.918 0 40 FHAB COc1ccc(-c2oc3c(OC)cc(C(C)=O)cc3c2CC(=O)O)cc1 1547138316 HJJLORCYCZWPAE-UHFFFAOYSA-N 354.358 3.947 0 40 FHAB biogenic O=C(OCc1cc(Cl)c2c(c1)OCCCO2)c1cnc2ccccc2n1 26574769 ZBPVJVPRFXWKDA-UHFFFAOYSA-N 370.792 3.802 0 40 FHAB COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccccc1 408825251 RSUOSZRMPHEZCC-BOPFTXTBSA-N 355.415 3.940 0 40 FHAB CCOc1cc(C(=S)N2CCN(C)CC2)ccc1OCc1ccccc1 408576666 QICCXSAZMUOXSO-UHFFFAOYSA-N 370.518 3.587 0 40 FHAB CC(C)c1nnc2ccc(SCC(=O)Nc3ccccc3Cl)nn12 524734474 IMOWANRIOFNTIX-UHFFFAOYSA-N 361.858 3.632 0 40 FHAB CC[C@H](Oc1cccc(C)c1)C(=O)NCc1nc(-c2ccc(C)cc2)no1 219318892 ZBXMQVBDLXILJP-SFHVURJKSA-N 365.433 3.827 0 40 FHAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)N1CCc2ccccc2C1 41184854 HMKYJRZHOAMWHF-UHFFFAOYSA-N 367.836 3.908 0 40 FHAB CSc1nc(Cl)cc(N2CCCC[C@H]2CNC(=O)OC(C)(C)C)n1 72203401 OLIZUNPSXHVUDQ-NSHDSACASA-N 372.922 3.736 0 40 FHAB Cc1cccc(-c2noc(CNC(=S)Nc3c(F)cccc3F)n2)c1 225814958 YHYDEJHWJCDPQC-UHFFFAOYSA-N 360.389 3.810 0 40 FHAB O=c1c(-c2ccccc2)nnc2sc(C34CC5CC(CC(C5)C3)C4)nn12 80346530 PJODANFEPXNKJS-UHFFFAOYSA-N 364.474 3.681 0 40 FHAB C[C@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)N(C)Cc1ccccc1 225435961 PGCCIXMCJNKTBX-ZDUSSCGKSA-N 354.381 3.806 0 40 FHAB biogenic,in-vitro Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)n1C 224597476 VDSMNALANHLMBY-RBUKOAKNSA-N 364.474 3.611 0 40 FHAB CCCc1ccc(OCCNC(=O)[C@@H](C)Oc2ccccc2OC)cc1 224601999 CVJQTEAQMOOJHJ-MRXNPFEDSA-N 357.450 3.610 0 40 FHAB CCc1ccccc1NC(=S)NC1CCN(Cc2ccccn2)CC1 44221958 NXRJLSKKIBLRIA-UHFFFAOYSA-N 354.523 3.595 0 40 FHAB COc1ccc(CNC(=S)Nc2cc(C)c(Br)cn2)cc1 223925857 XINPEPVGLAOJQG-UHFFFAOYSA-N 366.284 3.648 0 40 FHAB CC(=O)c1ccc(O[C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)cc1 40049853 NJDCDJUQEAUKQS-OAHLLOKOSA-N 354.406 3.622 0 40 FHAB CCN(CC)CCOc1ccc(NC(=O)C(C)(C)Br)cc1 225594204 QTBLUWZMUSPXJL-UHFFFAOYSA-N 357.292 3.519 0 40 FHAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(N)=O 222927031 YRHODEIEQQWWHN-GOSISDBHSA-N 354.450 3.879 0 40 FHAB COc1ccc([C@@H]2CC(=O)Oc3ccc4c(C)cc(=O)oc4c32)cc1OC 96221715 FEPZFRXXTWLJMK-AWEZNQCLSA-N 366.369 3.560 0 40 FHAB biogenic C[C@H](Oc1cccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)c1)C(=O)O 91695332 QQWSOLGFMIHLMA-JTQLQIEISA-N 354.328 3.685 0 40 FHAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3cnco3)o2)c1 257315216 VAKQFRVXANSISC-KRWDZBQOSA-N 367.405 3.629 0 40 FHAB CCCn1nccc1-c1cnc(C2CCN(C(=O)C(C)(C)C)CC2)cn1 257266033 MBHRTSDHYHEUEN-UHFFFAOYSA-N 355.486 3.502 0 40 FHAB Cc1cccnc1[C@@H](NC(=O)N1CCOC[C@@H]1c1ccccc1)C(C)C 363291839 RMPNOXBSYKIQLO-MOPGFXCFSA-N 353.466 3.870 0 40 FHAB Cc1nn(-c2cccc(F)c2)cc1CN(C)Cc1ccc2c(c1)OCCO2 1652033339 SXBSCLFZJNJMCM-UHFFFAOYSA-N 367.424 3.723 0 40 FHAB CCn1cc(NC(=O)C(CC)(CC)COCc2ccccc2)ccc1=O 648249388 RBDQZQQCWLOTAW-UHFFFAOYSA-N 356.466 3.830 0 40 FHAB Cc1cc([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)n[nH]1 1179161182 QJFGTDFYLDHIIR-NLWGTHIKSA-N 352.482 3.641 0 40 FHAB Cc1ccc(CN(Cc2ccco2)S(=O)(=O)N2CCC(C)CC2)s1 676555423 SIZQAQVEURIKPU-UHFFFAOYSA-N 368.524 3.628 0 40 FHAB CN(C)c1ccc(-c2ncn3c2[C@H](NC(=O)c2ccccc2)CCC3)cc1 585110677 FUHKBJHGZNBZKV-LJQANCHMSA-N 360.461 3.881 0 40 FHAB O=C(Cn1ccc2ccccc21)NCC1(c2ccc(F)cc2)CCOCC1 55453432 YGOKRCBAUGXBGN-UHFFFAOYSA-N 366.436 3.645 0 40 FHAB C[C@@H](Sc1ccccc1C(=O)NCc1cc2ccccc2o1)C(=O)O 95424329 APFHLHQRBQHEHL-GFCCVEGCSA-N 355.415 3.928 0 40 FHAB Cc1cc(-c2cnc(N3C[C@H](C)O[C@H](C)C3)nc2-c2ccc(C)o2)on1 12186060 POKFKVKFPACXKL-OKILXGFUSA-N 354.410 3.622 0 40 FHAB Cc1cc2c(cc1C)[C@H](O)CC1(CCN(C[C@H](O)c3ccccc3)CC1)O2 12329244 DTQALJQSFYPEBS-RTWAWAEBSA-N 367.489 3.688 0 40 FHAB COc1ccccc1-c1ccccc1CC1(C(=O)NC2CC2)CCOCC1 12366589 UQPMKUIVJMRDMB-UHFFFAOYSA-N 365.473 3.980 0 40 FHAB COc1cc(NC(=O)C[C@H]2OC(=O)c3ccccc32)c(OC)cc1Cl 15970105 PDLPEPIAFOWQMZ-CQSZACIVSA-N 361.781 3.598 0 40 FHAB Cc1cccc(CN(Cc2ccccc2)C(=O)c2ccn(C(F)F)n2)n1 19236117 LUJFMWKVISMJAW-UHFFFAOYSA-N 356.376 3.824 0 40 FHAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)c2cc(C3CC3)nn2C)n1 19240194 ZLDOMEJIBWOYND-OAHLLOKOSA-N 372.519 3.838 0 40 FHAB CC(C)c1csc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)n1 19718893 QUHRJDRTLMKPBE-NSHDSACASA-N 363.870 3.912 0 40 FHAB CC(C)COC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2CCC2)CC1 2056226386 QFGVOHFTBYPHPA-SFHVURJKSA-N 350.503 3.672 0 40 FHAB CCCNC(=O)c1nn(-c2ccc(F)cc2)cc1OCc1ccc(F)cc1 11694447 GIKAKJPLZJVZTJ-UHFFFAOYSA-N 371.387 3.869 0 40 FHAB C[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]12 12402537 BYVFOFBKVZWNOW-BHTHQVBYSA-N 371.742 3.582 0 40 FHAB COc1ccc(C(=O)/N=c2\sc3cc(Cl)ccc3n2C)c(OC)c1 100815589 CBXLCKCBDGOTPG-ZPHPHTNESA-N 362.838 3.652 0 40 FHAB COc1ccccc1-c1nc(COC(=O)c2c(C)nsc2N)cs1 40023464 VREDNYSBLKWJEC-UHFFFAOYSA-N 361.448 3.523 0 40 FHAB O=C(COC1CCCCC1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 40140910 ZCRNIYMHVOEJJR-UHFFFAOYSA-N 360.435 3.827 0 40 FHAB O=c1[nH]c(=S)n(-c2cccc(Cl)c2)c2c1CN(Cc1ccco1)CN2 20437575 IBMRCJRPOWPBIO-UHFFFAOYSA-N 374.853 3.527 0 40 FHAB COc1ccccc1CN(C)CC(=O)N[C@@H](C)c1cc2ccccc2o1 21579944 MIZKVLJPWGANGX-HNNXBMFYSA-N 352.434 3.751 0 40 FHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCOc1cccc(Cl)c1 32800424 LGWXQYSZFDHTGN-UHFFFAOYSA-N 369.852 3.953 0 40 FHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nc3cc(C)ccc3[nH]2)cc1 2639915 PRESRZLIUMKPCZ-GFCCVEGCSA-N 368.462 3.949 0 40 FHAB Cc1cc2ccccc2n2c(SCC(=O)N(C(C)C)C(C)C)nnc12 1223193 VRCMSMOJAFPTLC-UHFFFAOYSA-N 356.495 3.928 0 40 FHAB CCOC(=O)c1cc2sc(C)cc2n1CC(=O)N1CCc2ccccc21 1338233 NVHUTMPMECINIH-UHFFFAOYSA-N 368.458 3.777 0 40 FHAB Cc1noc([C@H](C)SCc2cc3c(cc2Br)OCCO3)n1 78624382 HMRHRLMRAPBETI-QMMMGPOBSA-N 371.256 3.906 0 40 FHAB Cc1ccc(-c2nc(C)c(C(=O)NCCc3cn4ccccc4n3)s2)o1 32933822 PNUOPRNHCSUQRP-UHFFFAOYSA-N 366.446 3.640 0 40 FHAB CN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(C(C)(C)C)cc2)N3)C1 4172286 YFIKUQIKOOFHRW-KRWDZBQOSA-N 355.507 3.888 0 40 FHAB Cc1ccc([C@H](CC(=O)N[C@H]2C[C@H](C)N(C)C[C@@H]2C)c2ccco2)cc1 4812405 ALGBIQNSNSQKKV-ZULIPRJHSA-N 354.494 3.955 0 40 FHAB COc1ccc([C@H](C)c2cc3c(cc2OCCOC(C)=O)OCO3)cc1 6437404 HUSSGBLJTKNBQF-ZDUSSCGKSA-N 358.390 3.518 0 40 FHAB COc1ccc(CCNC(=O)CSCc2ccccc2C)cc1OC 7208727 SPFRFQNDDBCFNP-UHFFFAOYSA-N 359.491 3.604 0 40 FHAB COc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2)c1 7247156 ANBKLBDODFTCRG-UHFFFAOYSA-N 360.413 3.878 0 40 FHAB CSc1ccc(CN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)cc1 8133301 KDQZJMNUMGEMTO-FQEVSTJZSA-N 354.475 3.852 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCC2)cc1 10332472 CAMDOVMCTZLECW-UHFFFAOYSA-N 352.434 3.711 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCC(=O)c1cccs1 8388141 AYLFKAHUELKHEJ-UHFFFAOYSA-N 367.474 3.830 0 40 FHAB C[C@@H](Sc1nc(N)c2ccsc2n1)C(=O)N1CCCc2ccccc21 9750217 SVRCJOWHWWQMRO-LLVKDONJSA-N 370.503 3.734 0 40 FHAB Cc1cc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2ccccn2)cc(C)c1O 100148971 CHJIWMQDTYXCOI-OALUTQOASA-N 352.478 3.524 0 40 FHAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(-n3cccc3)cc2)C1 12516838 UNSLPYKDJQECHT-LJQANCHMSA-N 373.456 3.968 0 40 FHAB Cc1cccc(NC2=NN=C(c3ccc4c(c3)CC(=O)N4)CS2)c1C 12555974 ZQGFVZOLYBPMSR-UHFFFAOYSA-N 350.447 3.717 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 22197023 DPWBKXUOTPSOHD-QRVBRYPASA-N 367.399 3.708 0 40 FHAB O=C(c1cccnc1)N1[C@H](c2nc(-c3ccc(F)cc3)no2)[C@@H]2CC[C@@H]1C2 100219986 XFXROTHJAKTXME-XYPHTWIQSA-N 364.380 3.637 0 40 FHAB Cc1noc(COc2cc(OCc3nc(C)no3)c(Cl)cc2Cl)n1 25353195 GTOUGXHKMOHHHF-UHFFFAOYSA-N 371.180 3.534 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1cccc(Cl)c1 12619904 UISVYOOGGJEYQV-UHFFFAOYSA-N 353.809 3.964 0 40 FHAB Cc1ccc(F)cc1C(=O)OCC(=O)Nc1ccccc1OC(F)F 10031652 VRUBOULBGJBICR-UHFFFAOYSA-N 353.296 3.531 0 40 FHAB O=C(Nc1ccc(Br)c2cccnc12)c1ccc2c(c1)OCO2 27930505 SPPKVWUTMTZBIX-UHFFFAOYSA-N 371.190 3.978 0 40 FHAB Cc1ccc(-c2csc3ncnc(N[C@@H]4CCCNC4=O)c23)cc1C 58161586 NPJZHAZUFJRDLD-OAHLLOKOSA-N 352.463 3.666 0 40 FHAB CC(=O)Nc1cccc(C(=O)N2CCc3cc(Br)ccc32)c1 58202498 WKHCOTRCIICWDO-UHFFFAOYSA-N 359.223 3.610 0 40 FHAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCC)c(OC)c1 107989218 CNDJROXAIRNJON-QGZVFWFLSA-N 374.462 3.862 0 40 FHAB COc1ccc(OC)c(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)c1 2119869 NEYKXELBONDZJS-UHFFFAOYSA-N 367.401 3.784 0 40 FHAB biogenic CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 113954296 VFOFHBKWKWGFPL-HXUWFJFHSA-N 367.493 3.543 0 40 FHAB CCCn1c(=O)n(C[C@@H](O)c2ccccc2C(F)(F)F)c2ccccc21 58354638 ZCBJWYFNLXJABE-QGZVFWFLSA-N 364.367 3.965 0 40 FHAB COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 2251620 GWZPCLGZMTTWOJ-UHFFFAOYSA-N 352.434 3.964 0 40 FHAB COc1cc(CCNC(=O)N[C@H]2CCCC[C@H]2C)ccc1OC(F)F 12772263 ZTGBJBZMFJTCDN-OCCSQVGLSA-N 356.413 3.717 0 40 FHAB CN(C)[C@@H](CNc1nc(C(F)(F)F)nc2ccccc12)c1ccco1 12860174 XVAJXKLPUOKZRH-ZDUSSCGKSA-N 350.344 3.956 0 40 FHAB O=C(NCc1ccco1)c1ccc2c(c1)C[C@@H](c1ccc(F)cc1)OC2=O 36635967 RCLPLKYQOHGIKV-IBGZPJMESA-N 365.360 3.803 0 40 FHAB Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc2c(c1)CCC2)C(C)C 36667907 QKXOZGGURTYPOJ-HXUWFJFHSA-N 350.462 3.877 0 40 FHAB NC(=O)[C@H](OC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 11239459 QJVFUQURVLICKY-JOCHJYFZSA-N 359.425 3.978 0 40 FHAB CC(C)Cc1nc2oc3c(NCCCO)ncnc3c2c2c1CCCC2 2432523 SJRLHORABDBSGM-UHFFFAOYSA-N 354.454 3.643 0 40 FHAB COCc1cccc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c1 11535057 IHGVHOFNJNIBLR-UHFFFAOYSA-N 364.401 3.608 0 40 FHAB C/C=C/c1ccc(OCC(=O)Nc2cccc(NC(C)=O)c2)c(OC)c1 3429607 MTJLRBWUFQWJKP-GQCTYLIASA-N 354.406 3.704 0 40 FHAB O=C(Cc1ccccc1F)Nc1cc2c(cc1Br)OCCO2 3452121 XDXHPMZUJYROIR-UHFFFAOYSA-N 366.186 3.541 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2cc(Cl)ccc2OC)c1C 3424476 KLXJGQRWSJDHDR-LLVKDONJSA-N 364.829 3.763 0 40 FHAB COC(=O)c1ccc(CN2CCC[C@H]2c2cc(OC)ccc2OC)cc1 12986326 PTGSNAQEPSEDNK-IBGZPJMESA-N 355.434 3.828 0 40 FHAB Cc1nc(C2(NC(=O)COc3cccc4ccccc34)CCCCC2)no1 12903583 MAHAPHFBQNRSTP-UHFFFAOYSA-N 365.433 3.886 0 40 FHAB COc1cccc(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 12943485 SWRNUIMDQKPBRG-QPGLYAHGSA-N 365.429 3.843 0 40 FHAB COc1cccc(C2=NO[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)C2)c1 5029366 XZSSPHOEFIMUHR-INIZCTEOSA-N 364.323 3.846 0 40 FHAB C[C@@H](OC(=O)c1ccc(O)cc1)C(=O)N(c1nccs1)C1CCCCC1 14072253 JBXVETJZORLCQO-CYBMUJFWSA-N 374.462 3.760 0 40 FHAB COc1ccc(-c2nonc2NC(=O)Cc2ccc(Cl)cc2)cc1OC 5353065 SMBHCDSMNKPWKC-UHFFFAOYSA-N 373.796 3.588 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(C)cc2)cc1 6433092 HQSYHVCHCNHNCH-XNTDXEJSSA-N 372.490 3.677 0 40 FHAB O=C(C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)NC1CCCCC1 14113879 LCFZCLRDGWUFGC-INIZCTEOSA-N 372.412 3.885 0 40 FHAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CC=C(c2ccccc2)CC1 14158663 ITSNXXCHRJUULI-UHFFFAOYSA-N 373.456 3.562 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)Nc1nonc1-c1ccc(Cl)cc1 8915669 NNXIKCXLQMCWOR-NSHDSACASA-N 373.796 3.805 0 40 FHAB CSCc1nn(CN(C)Cc2ccc(Br)cc2)c(=S)o1 14201262 LKONDSFJQZBJHY-UHFFFAOYSA-N 374.329 3.921 0 40 FHAB CNc1nc(S[C@@H](C)C(=O)NCc2cccs2)nc2ccccc12 14244039 MSLULNJCTJONKG-NSHDSACASA-N 358.492 3.530 0 40 FHAB CCCCCCn1nc(C(=O)Nc2nccs2)c2ccccc2c1=O 6557929 SSMNVRLPJSETNX-UHFFFAOYSA-N 356.451 3.686 0 40 FHAB CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(F)cc2)c1 4677129 JPEDQSLXPSLHFE-UHFFFAOYSA-N 359.426 3.691 0 40 FHAB COc1cccc(CN2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)c1 4603149 QMWMJOAVOVPQGQ-QGZVFWFLSA-N 352.478 3.785 0 40 FHAB CCCOc1ccc(C(=O)[C@H](CN2CCOCC2)c2ccccc2)cc1 19313985 WVAHEPZRTLCPMI-OAQYLSRUSA-N 353.462 3.774 0 40 FHAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cnc3ccccc3c2)CC1=O 66338942 HFXGLVHLXGSXOB-QAPCUYQASA-N 359.429 3.783 0 40 FHAB Cc1cc(C(=O)CSc2nnnn2-c2cccc(F)c2)c(C)n1C1CC1 5796594 YYOBYGZKPLMBQM-UHFFFAOYSA-N 371.441 3.530 0 40 FHAB CC(=O)[C@H]1[C@@H](N2CC2)C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118917651 YKAAPHAUSMBTTG-RHCGTSLQSA-N 357.538 3.809 0 40 FHAB CC(=O)c1ccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 7399738 LVBVMNFNGVYFQA-UHFFFAOYSA-N 368.477 3.550 0 40 FHAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)N1CCc2ccccc2C1 67952471 ZZZKCMGAQPIICR-GUYCJALGSA-N 352.409 3.619 0 40 FHAB O=C(CSc1nnc(-c2ccncc2)n1C1CC1)c1ccc(F)c(F)c1 7616881 JICZDDSCCPSAND-UHFFFAOYSA-N 372.400 3.928 0 40 FHAB CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)nnc1C1CC1 7618421 PVRCGLGTBWIMCO-SNVBAGLBSA-N 350.875 3.948 0 40 FHAB COc1ccc(C)cc1CSc1nnc(-c2cccc(Cl)c2)n1N 7836904 KIUMFLSRFRKZLB-UHFFFAOYSA-N 360.870 3.922 0 40 FHAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)NC(C)(C)C 8255868 FYOABHVXWPBCKY-SNVBAGLBSA-N 350.513 3.737 0 40 FHAB C[C@H](OC(=O)c1cccc2c1O[C@H](C)[C@H]2C)C(=O)N1CCc2ccccc21 8481403 SMCMPNIZBKBMSQ-KFWWJZLASA-N 365.429 3.706 0 40 FHAB O=C(NC[C@@H]1CCCO1)[C@@H](Sc1nc2ccccc2o1)c1ccccc1 9583651 DKXHYMJLOXDAEO-YJBOKZPZSA-N 368.458 3.956 0 40 FHAB CCCCOC(=O)c1ccc(NC(=O)Nc2cnn(CC3CC3)c2)cc1 72309838 NKIDGVQVRPOBBE-UHFFFAOYSA-N 356.426 3.894 0 40 FHAB Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2c[nH]c(C(C)C)n2)cc1 72304374 GIUSYSNKQGMFRX-GOSISDBHSA-N 355.482 3.705 0 40 FHAB Cc1sc(N2CCC(C)CC2)nc1-c1ccc(NS(C)(=O)=O)cc1 71971824 SKPRYULRBYJQDV-UHFFFAOYSA-N 365.524 3.726 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3ccc(-n4cccn4)cc3)n[nH]2)cc1 28245436 VCPQEEALJDAHKI-UHFFFAOYSA-N 359.389 3.523 0 40 FHAB CCCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(C)[nH]c2ccccc12 9933332 DZAQPBJKLJENRA-OAQYLSRUSA-N 361.445 3.548 0 40 FHAB Cc1cc(Br)c(NC(=O)CCNC(=O)OCC(C)C)cc1C 408997840 JOKNNXWMXHBCST-UHFFFAOYSA-N 371.275 3.777 0 40 FHAB Cc1cccc(C(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)c1C 32924934 CKWVDQIXVZRPJX-UHFFFAOYSA-N 364.489 3.657 0 40 FHAB CCOc1ccc(NC(=S)NCc2nc(-c3cccs3)no2)cc1 65705254 HXCLNARPBGMNAN-UHFFFAOYSA-N 360.464 3.683 0 40 FHAB Cc1ccc(NC(=O)CSCc2cc(=O)c3cc(F)ccc3[nH]2)cc1 33063860 PUNSOYBIWALUTI-UHFFFAOYSA-N 356.422 3.848 0 40 FHAB Cc1ccc([C@@H](C)NC(=O)CSc2nc(-c3ccco3)n[nH]2)cc1C 32873574 TUGNOTPIJALVTH-CYBMUJFWSA-N 356.451 3.651 0 40 FHAB COc1ccc(-c2nc(CSCC(=O)Nc3cc(C)on3)co2)cc1 31424667 YTKZABACWBSEGU-UHFFFAOYSA-N 359.407 3.519 0 40 FHAB Cc1nnc2ccc(C(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)cn12 523569642 ZPDOEELXOFBWFK-IBGZPJMESA-N 352.413 3.838 0 40 FHAB O=C(c1cnccn1)N1CCC[C@@H]1c1cccc(Cc2ccc(F)cc2)n1 72357835 FQYPEZRLPCKKJN-HXUWFJFHSA-N 362.408 3.579 0 40 FHAB CC1(C)C[C@@H](NC(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc2O1 121455114 FUYRWPSOCHETHW-GOSISDBHSA-N 364.445 3.846 0 40 FHAB CSc1ncc(CN2C[C@H]3CCC[C@](O)(c4ccc(C)cc4)[C@H]3C2)cn1 72340462 KNBCWMOYTUBDJR-LMNJBCLMSA-N 369.534 3.627 0 40 FHAB O=C(Cc1csc(-n2cccc2)n1)Nc1nc(-c2ccco2)cs1 36708369 SLFQVHDUCCOELQ-UHFFFAOYSA-N 356.432 3.832 0 40 FHAB CCc1nccn1-c1cccc([C@@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 72378888 NEONTRFLGXIISI-LJQANCHMSA-N 374.488 3.778 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2cccnc2)no1 35682802 QJOHDHNMGGPMTE-UHFFFAOYSA-N 360.826 3.824 0 40 FHAB CCCCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(C(N)=O)cc1 49546428 LIOKARACLMQRSS-UHFFFAOYSA-N 368.462 3.628 0 40 FHAB CO[C@](C)(C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1)C1CC1 225643825 AMILESRALIBYPF-IERDGZPVSA-N 360.498 3.551 0 40 FHAB CCOc1ccc(CCCNC(=S)Nc2ccc3c(c2)OCCO3)cc1 225622338 STOYJSBUPKYEPW-UHFFFAOYSA-N 372.490 3.776 0 40 FHAB CCOc1ccc(CNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 225288904 IAVAKQFLUDLVED-UHFFFAOYSA-N 363.461 3.877 0 40 FHAB CCCCCNC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)cc1 222602574 TXKPUOHJHMVDTK-JXAWBTAJSA-N 372.490 3.834 0 40 FHAB CCCCCNC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1 224261694 DVHNYFDKRAULHQ-UHFFFAOYSA-N 374.506 3.740 0 40 FHAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccccc1 98174791 QNIQCNVCVMLXAZ-ACRUOGEOSA-N 370.408 3.738 0 40 FHAB CC(=O)N(C)c1ccc(NC(=O)N2CC3(CCCC3)c3ccccc32)cn1 333445665 WTYRZLIHPDDAOY-UHFFFAOYSA-N 364.449 3.928 0 40 FHAB Cc1cccc(CN2CCC3(CC2)OCC[C@H]3CCOc2cccnc2)n1 247874876 NJHPSJZNOXPCIG-LJQANCHMSA-N 367.493 3.625 0 40 FHAB Cc1cccc(CNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 243868191 RLHFBPFNZMEOFW-UHFFFAOYSA-N 370.758 3.922 0 40 FHAB O=C(c1cccnc1)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257288185 PTGHWWDAQJQJGA-KRWDZBQOSA-N 365.408 3.819 0 40 FHAB COc1cccc(Nc2cc(C)nc([C@H]3CCN(c4ncccn4)C3)c2)c1 257340545 ZGQWXSOWSSZUFD-INIZCTEOSA-N 361.449 3.926 0 40 FHAB CCN1CCN(c2ccc(C(=O)N(C)c3cccc(C)c3)cc2F)CC1 589058434 ULLSLXIVUJTMOM-UHFFFAOYSA-N 355.457 3.553 0 40 FHAB COC1CCC(NC(=O)c2ccccc2-c2ccccc2C(=O)O)CC1 630228969 PRJHONBRQMHVQB-UHFFFAOYSA-N 353.418 3.739 0 40 FHAB Cc1ccc(NC(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)cc1Cl 664327206 IFHBBIOPGOXFCH-SFHVURJKSA-N 373.884 3.537 0 40 FHAB Cc1c([C@H](C)NC(=O)c2onc3c2CCCC3)cnn1-c1ccc(F)cc1 666204857 OPTOTRITMWERGJ-LBPRGKRZSA-N 368.412 3.678 0 40 FHAB O=C(NCC(=O)N1CCCC[C@H](c2ccccc2)C1)OCc1ccccc1 390828373 QVGCAXTVPJAPRB-FQEVSTJZSA-N 366.461 3.709 0 40 FHAB COc1ccccc1S(=O)(=O)Nc1cccnc1Oc1ccccc1 55636587 WJHOHUDVTYQEES-UHFFFAOYSA-N 356.403 3.683 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)N1CCC(CSC2=NCCS2)CC1 75172381 ZKWQWOLHTQPZJH-CQSZACIVSA-N 364.536 3.529 0 40 FHAB CC1(C)C[C@@H]2CN(C(=O)CCN3CCCC3)CC[C@@H]2N1c1cccc(F)c1 1615130617 YTNAGMYITQEWCZ-XLIONFOSSA-N 373.516 3.517 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC1=CC(=O)CC(C)(C)C1 5881115 YSNWQBFYGRNBDH-SNVBAGLBSA-N 371.264 3.655 0 40 FHAB O=C(Cc1ccc(-c2ccccc2)cc1)N[C@H]1CC(=O)N(c2ccccc2)C1 5193429 VPCZIDAIOSQXCM-NRFANRHFSA-N 370.452 3.818 0 40 FHAB COC(=O)C(=O)[C@]1(CCC(C)=O)c2ccccc2-c2c(C)ccc(C)c21 5813423 CJOBWFVDSQCCQO-JOCHJYFZSA-N 350.414 3.681 0 40 FHAB CC(C)n1cc2c(C(F)F)cc(N3CCC(CC(=O)O)CC3)nc2n1 12398937 RNPRDOHSLHIGOL-UHFFFAOYSA-N 352.385 3.641 0 40 FHAB O=C(O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 13259463 BXVLVNBARSOGIP-INIZCTEOSA-N 374.396 3.530 0 40 FHAB CCCc1nn2c(=O)cc(COc3cc(C)c(Cl)c(C)c3)nc2s1 13367736 YGICBXSDPUEEBJ-UHFFFAOYSA-N 363.870 3.953 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc(COc3ccccc3C)o2)c1 13586085 OFERFLGRUIXZHF-UHFFFAOYSA-N 369.446 3.996 0 40 FHAB Cc1ccc(OCC(=O)N2CCC(c3ccccc3)=N2)c2c1[C@H](C)CC2=O 14373827 NKXCXODOZAIFLT-OAHLLOKOSA-N 362.429 3.700 0 40 FHAB COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NC(=O)Cc2ccccn2)cc1 19557548 PTSQYYLFOYPPSL-MXNKGDRCSA-N 350.462 3.721 0 40 FHAB CCN(CC)C(=O)[C@@H]1CCCN(C(=S)Nc2ccc(Cl)cc2)C1 19691448 AFVBJIOCVGFAJV-CYBMUJFWSA-N 353.919 3.617 0 40 FHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@H](C)c1ccco1 10296656 AJKFZZZGRUEUQS-CQSZACIVSA-N 362.433 3.902 0 40 FHAB COc1ccc(CC(=O)N2CC(n3c(C(C)C)nc4ccccc43)C2)cc1 1888951542 UPTWVVHSQHVKDZ-UHFFFAOYSA-N 363.461 3.794 0 40 FHAB CC(C)n1c(N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)nc2ccccc21 1888999948 NIVNJGRLYNHAAI-IYBDPMFKSA-N 370.497 3.920 0 40 FHAB O=C(N[C@H]1CCCN(c2ccnc3cc(C(F)(F)F)ccc23)C1)C1CC1 1889128224 JAYJZPRNOCAIJP-AWEZNQCLSA-N 363.383 3.749 0 40 FHAB COc1cccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)c1 27581479 UCFDYURNNBDNGS-LJQANCHMSA-N 358.869 3.916 0 40 FHAB biogenic CN(Cc1ccc(Br)o1)S(=O)(=O)c1ccc(Cl)cc1 30420236 ZUIXWJDWUSJCOK-UHFFFAOYSA-N 364.648 3.516 0 40 FHAB CCCOc1ccc(N2C(=O)C(Cl)=C(Nc3ccccc3)C2=O)cc1 2192284 VIOCZWMABLLRSX-UHFFFAOYSA-N 356.809 3.911 0 40 FHAB O=C(Cc1ccc(F)cc1)NC[C@@H](c1ccco1)N1CCc2ccccc21 4305041 BLSGSKPIKDUZED-FQEVSTJZSA-N 364.420 3.881 0 40 FHAB c1ccc(-c2nc(CN3CCC[C@@H](COc4ncccn4)C3)cs2)cc1 1775969814 LZQJRRLEYYHATJ-MRXNPFEDSA-N 366.490 3.891 0 40 FHAB Cc1ccc([C@H](c2sc3ncnn3c2O)N2C[C@@H](C)C[C@@H](C)C2)cc1 33384230 QSFMLTRNMJEJIR-IJEWVQPXSA-N 356.495 3.872 0 40 FHAB O=C(Nc1cccc(Oc2cnccn2)c1)c1ccccc1-n1cccn1 40141986 COTCFINRDNLTKB-UHFFFAOYSA-N 357.373 3.707 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc2nc(C)c(C)c(C)n2n1 40119213 XCPNAIJTVQNDQQ-OAHLLOKOSA-N 369.494 3.786 0 40 FHAB COCCc1noc(CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)n1 101037596 RNHNADWBSPOKEE-CPWXYTRJSA-N 355.276 3.535 0 40 FHAB CCC[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2ON1c1ccccc1 101026556 LTTLSGHQIKASEQ-SQNIBIBYSA-N 370.836 3.819 0 40 FHAB COc1cccc(C(=O)NCCCc2nc(-c3ccc(Cl)cc3)no2)c1 41097299 NXQXTOUEHNGCRM-UHFFFAOYSA-N 371.824 3.761 0 40 FHAB O=C(Nc1cc(Cl)cc2cccnc12)[C@H]1CCCN1C(=O)c1ccco1 32753993 SUACWXYIAVFTDV-OAHLLOKOSA-N 369.808 3.725 0 40 FHAB CNC(=O)c1ccc(/C=C/C(=O)Nc2ccc(Cl)c3ncccc23)cc1 32760449 ADVIQCMRMMQBHO-IZZDOVSWSA-N 365.820 3.900 0 40 FHAB CC(C)Oc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 41272947 ZAFXLXQYKQUDAP-OLZOCXBDSA-N 372.387 3.650 0 40 FHAB O=C(O[C@H]1CCCCC1=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 32947262 UYLQCMJAQQITQI-AWEZNQCLSA-N 358.415 3.855 0 40 FHAB CCn1c(SC)nnc1-c1cccn(Cc2ccc(Cl)cc2)c1=O 3133789 YMZWSNMQEJRRON-UHFFFAOYSA-N 360.870 3.550 0 40 FHAB O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(F)cc1 6251300 HMWXCLWZVOCBKC-UHFFFAOYSA-N 359.209 3.965 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)N1CCN(c2cccc(C)c2C)CC1 7381287 OKPTYAOTHUFMTE-HXUWFJFHSA-N 370.468 3.949 0 40 FHAB Cc1ccc(C)c(C(=O)O[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1 7439166 ZWLWQLKLKRXUJZ-NOCBQHASSA-N 355.478 3.934 0 40 FHAB CCC(=O)N1CCc2cc(C(=O)NCCc3ccc(Cl)cc3)ccc21 46895915 LGFVWZPZRLJROB-UHFFFAOYSA-N 356.853 3.612 0 40 FHAB CCN(CC)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC 8090009 KZDCNQISLLQADJ-UHFFFAOYSA-N 352.891 3.579 0 40 FHAB CC(=O)NC1C[C@H]2CCC[C@H](C1)N2C(=S)Nc1ccc(Cl)cc1 100426962 GXBQMZBKDGFALM-HZPDHXFCSA-N 351.903 3.558 0 40 FHAB Cc1c(OCC(=O)Nc2ccccc2F)ccc2c3c(c(=O)oc12)CCC3 814819 AAVPNOHCIJXWOG-UHFFFAOYSA-N 367.376 3.747 0 40 FHAB CC(C)CCc1noc(CNc2ccccc2C(=O)NCC(F)(F)F)n1 58163493 MXNDHOODOMMPFQ-UHFFFAOYSA-N 370.375 3.562 0 40 FHAB C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Br)cn1 27975208 ZLBCKUNXDCPOAG-NSHDSACASA-N 361.239 3.739 0 40 FHAB Cc1ccc(CN(C(=O)c2sc(-c3ncccn3)nc2C)C(C)C)o1 55722464 CFZREIKGPDTQOR-UHFFFAOYSA-N 356.451 3.861 0 40 FHAB C[C@@H](Sc1nnc(N2CCOCC2)n1C1CC1)c1cc(F)ccc1F 56282606 USRDZPPFMNPKGP-LLVKDONJSA-N 366.437 3.581 0 40 FHAB CC(C)Oc1cccc(C(=O)N2CCN(c3c(N)cccc3Cl)CC2)c1 57331939 TYVHHIDQMNGLJJ-UHFFFAOYSA-N 373.884 3.672 0 40 FHAB CCc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 58105125 AFQYLBUSBHEJEI-UHFFFAOYSA-N 359.278 3.772 0 40 FHAB CN(C)[C@H](CNC(=O)CCc1nc2ccccc2s1)c1ccccc1 3304476 ZSKYNVFMVUNZBL-QGZVFWFLSA-N 353.491 3.648 0 40 FHAB COc1cccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]23)c1O 170623242 ZSRYUSRGJUITDT-HWYTXOMYSA-N 361.488 3.803 0 40 FHAB COc1ccccc1NC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@@H]21 3359289 PWGMBDRLVPODKF-LPHOPBHVSA-N 351.450 3.843 0 40 FHAB COC[C@@H](Cc1ccccc1)NC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 72309314 KVHMMHKXPRSEJH-QGZVFWFLSA-N 357.498 3.749 0 40 FHAB Cc1cn2c(/C=C/C(=O)NCCc3c[nH]c4ccccc34)c(C)nc2s1 10741159 PLTLJMSVJKOMAR-BQYQJAHWSA-N 364.474 3.866 0 40 FHAB Cc1ccc(-c2csc(NC(=O)Cc3c(C)nn(C)c3C)n2)c(C)c1 10819656 MNKHRKRLVDNGEO-UHFFFAOYSA-N 354.479 3.958 0 40 FHAB CCCCc1nc2sc3c(NC[C@@H](C)O)ncnc3c2c2c1CCC2 2378509 RRANQHVWEOXQEC-LLVKDONJSA-N 356.495 3.864 0 40 FHAB COc1cc(OC)c(N[C@@H](C)C(=O)NCCc2ccccc2)cc1Cl 28797828 NZXKUPLLASDZFZ-ZDUSSCGKSA-N 362.857 3.517 0 40 FHAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc(Br)cc1 12924257 MAOPTNUZUAQMAC-UHFFFAOYSA-N 362.223 3.792 0 40 FHAB Cc1ccc(C)c(NC(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 12973481 GTCHZOWSXSSIQI-SFHVURJKSA-N 365.477 3.593 0 40 FHAB Cc1ccc(C(=O)CCC(=O)N2CCN(Cc3ccccc3)CC2)cc1C 39984804 IGXFNGPUIHVBRY-UHFFFAOYSA-N 364.489 3.611 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)Cc2cccc(C(F)(F)F)c2)c1 6235853 SYBMMFQOOHPKRI-UHFFFAOYSA-N 351.324 3.982 0 40 FHAB CN(CCOc1ccccc1Cl)C(=O)c1cc(O)nc2ccccc12 14188782 SRNFKZYOCHIHCZ-UHFFFAOYSA-N 356.809 3.745 0 40 FHAB Cc1ccc(/C=C/C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)o1 25056372 HLNHYMDSUYPEIP-QPJJXVBHSA-N 350.871 3.661 0 40 FHAB COc1ccccc1NC(=O)CCc1nc(-c2ccccc2Cl)no1 5562362 FEKZYJJAXXNUAL-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB Cc1cccc(N(Cc2ccccc2)C(=O)c2ccccc2-n2cnnn2)c1 6605801 XKJGMAGBAKYERS-UHFFFAOYSA-N 369.428 3.818 0 40 FHAB COc1cc(CNc2ncn[nH]2)cc(Cl)c1OCc1ccc(F)cc1 4999807 JHMOYXPVZLVYJQ-UHFFFAOYSA-N 362.792 3.797 0 40 FHAB COc1ccccc1NCC(=O)Nc1cc(C)nn1-c1ccc(C)cc1 7115846 UXAJYMPBEWYLCQ-UHFFFAOYSA-N 350.422 3.548 0 40 FHAB CC(=O)N1N=C(c2ccsc2)C[C@H]1c1cn(-c2ccccc2)nc1C 69374856 IDCVDRIZMJFIAK-IBGZPJMESA-N 350.447 3.940 0 40 FHAB O=C(NCc1ccccc1F)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 7755176 YTMUCYNSDBDLDE-KRWDZBQOSA-N 362.404 3.648 0 40 FHAB CCc1ccc(OCC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 7759584 KRZRRPPPGBSGKK-UHFFFAOYSA-N 365.433 3.645 0 40 FHAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2N2CCOCC2)cc1 7734990 MPEXFMZYJBTUAM-INIZCTEOSA-N 356.491 3.951 0 40 FHAB CCn1c(C2CCN(C(=O)C3(c4ccccc4)CCC3)CC2)n[nH]c1=S 68452162 KTAMETJUJKJKPQ-UHFFFAOYSA-N 370.522 3.788 0 40 FHAB CCCCc1nc(C)sc1C(=O)Nc1ccc(Cn2cncn2)cc1 72402583 NCIIMSDLRPKBQL-UHFFFAOYSA-N 355.467 3.686 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H]2CC(O)=Nc3c(-c4ccccc4)cnn32)c1 20732313 PBHJLCUZYBBNGE-GOSISDBHSA-N 374.400 3.924 0 40 FHAB Cc1cc(Cl)ccc1N(CC(=O)O)S(=O)(=O)c1ccc(Cl)cc1 20061336 XTYUGTLRDPCWGJ-UHFFFAOYSA-N 374.245 3.582 0 40 FHAB COc1ccc(C(=O)Nc2c(SC)cnn2-c2ccccc2)cc1OC 97014211 RLVSQXZPAWURPH-UHFFFAOYSA-N 369.446 3.864 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc(OC)c1 20042486 GNSLSDNOAVUTER-IBGZPJMESA-N 370.449 3.631 0 40 FHAB COCc1ccccc1NC(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C 95452058 KRUPRHSWUHGQLY-QZTJIDSGSA-N 367.493 3.960 0 40 FHAB COc1ccc(NC(=O)CN2CC=C(c3c[nH]c4ccccc34)CC2)cc1 89444322 BWQBAJXHDJSVEM-UHFFFAOYSA-N 361.445 3.904 0 40 FHAB Cc1ccc([C@@H](CNC(=O)Cc2ccc(C)c(O)c2)N2CCCC2)cc1 89438535 KWKHIINWCIXCEX-HXUWFJFHSA-N 352.478 3.505 0 40 FHAB O=C(CCc1ccc2ccccc2n1)OCc1nnc(-c2ccccc2)o1 21432134 OATNFGIYIJGGOO-UHFFFAOYSA-N 359.385 3.961 0 40 FHAB CCc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2Cl)cc1 20151592 DNJWADSOZVGMEC-UHFFFAOYSA-N 362.838 3.727 0 40 FHAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)COc1ccccc1 28574572 MPLGUEAPYQJKLT-UHFFFAOYSA-N 353.397 3.705 0 40 FHAB Cc1ccc(-c2nnc(CN(C)C(=O)CCCOc3ccccc3)o2)cc1 408714458 RDXGJOVCXZRTGL-UHFFFAOYSA-N 365.433 3.863 0 40 FHAB CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2oc3ccccc3c2C)cn1 548340010 LFDHDUITHYGNBS-QFBILLFUSA-N 353.422 3.608 0 40 FHAB COc1ccccc1NC(=O)CSCc1cc(=O)c2cc(F)ccc2[nH]1 33063871 QFXZUDXIQUSREQ-UHFFFAOYSA-N 372.421 3.548 0 40 FHAB COc1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)ccc1F 218901667 UVOSRNHNMXVROD-UHFFFAOYSA-N 350.198 3.942 0 40 FHAB CC(C)N(C(=O)CSc1nc2sccc2c(=O)n1C)c1ccccc1 36787893 FUAOBLHWWAGPSV-UHFFFAOYSA-N 373.503 3.529 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)NCCCN1CCCc2ccccc21 219586088 QRQWCBYWCHFWMK-FQEVSTJZSA-N 370.468 3.942 0 40 FHAB CN(C)C[C@H](NC(=O)c1ccc(Br)cc1)c1ccc(F)cc1 561621806 RBAAWISLQVSNTN-INIZCTEOSA-N 365.246 3.621 0 40 FHAB Cc1cc2nc([C@H]3CCCN(CC[C@@H](C)c4ccccc4)C3)cc(N)n2n1 72339791 UVGASQWPSILMPX-APWZRJJASA-N 363.509 3.993 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)COc2ccc(C(C)C)cc2)cc1 218961133 WQOSAMIWTUSCMV-INIZCTEOSA-N 357.450 3.781 0 40 FHAB Cc1ccc(CN2CC[C@H](c3nnc(COc4ccc(F)cc4)o3)C2)o1 49170392 CMMZPYYKBVYNTP-AWEZNQCLSA-N 357.385 3.679 0 40 FHAB biogenic,in-vitro COc1ccc(S(=O)(=O)NCc2ccc3ccccc3c2)c(C)c1C 222820693 XYNHJMVSOIWXQC-UHFFFAOYSA-N 355.459 3.944 0 40 FHAB CC(C)Cn1cnc(S(=O)(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)c1 328673274 OZCONZRZDPIFMP-RTBURBONSA-N 371.506 3.548 0 40 FHAB COc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 224285380 DWUNFYIYCBSYMD-MRXNPFEDSA-N 365.429 3.811 0 40 FHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1C 225719497 JBHXTPYIVRGSRO-OAQYLSRUSA-N 366.505 3.870 0 40 FHAB COc1ccccc1OCCNC(=O)[C@H](C)Oc1cccc2c1CCCC2 225140315 YAIMLJZMBVILSX-INIZCTEOSA-N 369.461 3.537 0 40 FHAB Cc1ccc(C2(c3noc(-c4cc(C(C)C)[nH]n4)n3)CCOCC2)cc1 584317935 MEGCYWQKIDBNGO-UHFFFAOYSA-N 352.438 3.988 0 40 FHAB Cc1csc(Nc2cccc(CC3CCN([C@H](C)CCO)CC3)n2)n1 257201443 AHSMMUDTDNNEHW-OAHLLOKOSA-N 360.527 3.616 0 40 FHAB COC(C)(C)C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N[C@@H]2Cc1ccccc1 257243633 IHWATVZSJVTJNG-MRXSCTINSA-N 370.537 3.544 0 40 FHAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C4CCCCC4)OCC[C@@]31C2 257199677 AALHQQOOUQXDJZ-AABFTTDASA-N 363.542 3.929 0 40 FHAB CC(C)(C)c1csc([C@H]2CN(C(=O)c3ccncc3Cl)CCO2)n1 283370645 QWVSHALYBCDTIN-CYBMUJFWSA-N 365.886 3.703 0 40 FHAB O=C(O)c1cc2cc(CN3CC[C@H](Oc4cccc(F)c4)C3)ccc2o1 634697295 FVSHXQJOLQXEGT-KRWDZBQOSA-N 355.365 3.923 0 40 FHAB O=C(O)c1ccc(CN[C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cc1 666575997 KPLKSQLCLOXQSC-BHIFYINESA-N 364.489 3.775 0 40 FHAB CSc1ccc([C@H](O)CNC(=O)Cc2c(F)cccc2Cl)cc1 96103164 UTEAILROFPIUFU-MRXNPFEDSA-N 353.846 3.593 0 40 FHAB O=C1CCc2cc(C(=O)N3C[C@H](c4ccccc4)[C@H]4CCC[C@H]43)ccc2N1 552959212 UTGVSTMQPVXEQF-SFHLNBCPSA-N 360.457 3.980 0 40 FHAB CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1Cl 5495521 XAGFYUYSSJENLW-UHFFFAOYSA-N 359.234 3.753 0 40 FHAB Cc1nc2cc([C@@H]3CCCCN3Cc3cccc(F)c3)nn2c(O)c1C 12337775 OUQQKVCINAWDPO-SFHVURJKSA-N 354.429 3.918 0 40 FHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(Cl)cc1Cl 14495649 NMCJHPWBJIFPAV-UHFFFAOYSA-N 358.246 3.958 0 40 FHAB Cc1cc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc(C)c1Cl 14831553 KEAANWANHJHKPK-UHFFFAOYSA-N 372.896 3.680 0 40 FHAB O=C(c1cccc(F)c1)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1 19293548 PDZYNENAGNXSFV-GOSISDBHSA-N 350.397 3.978 0 40 FHAB CCCn1ncc(C(=O)N2CCC[C@@H](c3cc4cc(C)cnc4[nH]3)C2)c1C 19525870 QTEVVZTYOMFISN-MRXNPFEDSA-N 365.481 3.806 0 40 FHAB CN(Cc1ccncc1)c1ncc(-c2cnccn2)c(-c2cccs2)n1 19586605 AATPMNYBVSVSBU-UHFFFAOYSA-N 360.446 3.694 0 40 FHAB COc1ccc(OC)c([C@@H]2S[C@@H](C)C(=O)N2c2ncc(C)s2)c1 19927661 IINCXPIJQXRYED-BONVTDFDSA-N 350.465 3.636 0 40 FHAB Cc1ccc(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)cc1C 19937600 JJFGTPPYMDDXGT-UHFFFAOYSA-N 367.836 3.888 0 40 FHAB O=C(O)CN1C(=O)S/C(=C/c2cccc(Oc3ccccc3)c2)C1=O 205320395 MFVUTOCLDIJSST-XNTDXEJSSA-N 355.371 3.600 0 40 FHAB CC1=NN(c2ccccc2)C(=O)[C@H]1C(C)[C@@H]1C(=O)N(c2ccccc2)N=C1C 101983968 XXUNMLVXMWONRB-PMACEKPBSA-N 374.444 3.700 0 40 FHAB in-vitro COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)Cc1c[nH]c2ccccc12 15685965 GLRHKLCCSPUVKU-CQSZACIVSA-N 366.417 3.598 0 40 FHAB CC1(C)C[C@@H]2CN(C(=O)c3nccs3)CC[C@@H]2N1c1cccc(F)c1 2037978163 DZGWCWPXCFIZIN-CJNGLKHVSA-N 359.470 3.802 0 40 FHAB CC[C@@H](C(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O)c1ccccc1 3911668 WCGGCJAXAAGNAZ-HXUWFJFHSA-N 362.473 3.997 0 40 FHAB Cc1ccc(NC(=O)c2nnn(Cc3cc(C)ccc3C)c2N)c(Cl)c1 4852621 DSJLSZAPWNKKFY-UHFFFAOYSA-N 369.856 3.740 0 40 FHAB Cc1cccc(Cn2cccc(C(=O)Nc3ccc(F)c(F)c3F)c2=O)c1 5269787 BFKLUZUYWAETPS-UHFFFAOYSA-N 372.346 3.875 0 40 FHAB COc1cccc(-c2cc(CC(=O)Nc3ccc(N(C)C)cc3)no2)c1 11693182 DPEJFJCBDKGOQH-UHFFFAOYSA-N 351.406 3.597 0 40 FHAB O=C(NCc1nccnc1-c1ccsc1)NC12CC3CC(CC(C3)C1)C2 575617900 ASWFXZYPFMNZIB-UHFFFAOYSA-N 368.506 3.973 0 40 FHAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)o1)c1cc(-c2ccco2)on1 575610029 IYAPNDUWAYVHTR-CYBMUJFWSA-N 370.386 3.720 0 40 FHAB O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)C1(c2ccc(F)cc2)CC1 585147924 HYFYEAYUCLNTOA-IBGZPJMESA-N 365.404 3.967 0 40 FHAB COc1ccc([C@@H](O)CNC(=O)Nc2cccc(C(F)(F)F)c2)cc1 40096039 MYKNPLUYEZTWRP-HNNXBMFYSA-N 354.328 3.569 0 40 FHAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc(-c2cccnc2)on1 40105257 CMTDOEHLDCTIEP-KRWDZBQOSA-N 365.389 3.547 0 40 FHAB CCOc1ccc(CN(C)C(=O)Cc2cc(C)ccc2OC)cc1OC 31198298 VBGYAZVMFVAZDX-UHFFFAOYSA-N 357.450 3.612 0 40 FHAB CC(C)(C)n1nc(C(=O)Oc2ccc3c(c2)CCC(=O)N3)cc1C1CC1 51655267 GXECUOUIMXWPGP-UHFFFAOYSA-N 353.422 3.619 0 40 FHAB CCn1c(S)nc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2c1=O 102343333 AZFGMDLGPYDOMB-UHFFFAOYSA-N 353.447 3.574 0 40 FHAB O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)[C@H]1CCCO1 2617860 FPVNKRWCUSMIEE-LLVKDONJSA-N 355.872 3.601 0 40 FHAB O=S(=O)(N[C@H]1CCCc2ccccc21)c1ccc(Br)cc1 1002693 GTKMPQQVLOJQKH-INIZCTEOSA-N 366.280 3.805 0 40 FHAB Brc1cc(Br)c2ccccc2c1NC1=NCCN1 1668967 SIZJOATXXVGWLW-UHFFFAOYSA-N 369.060 3.736 0 40 FHAB CCc1ccc(OCCCC(=O)NCCc2nc3ccccc3[nH]2)cc1 1773443 NXBJHXZPNQDSMV-UHFFFAOYSA-N 351.450 3.643 0 40 FHAB NC(=O)O[C@@H]1CCN(CCCC(=O)c2ccc(F)cc2)[C@@H]2CCCC[C@H]12 1846336 RVPQELWEPXXXPC-YQVWRLOYSA-N 362.445 3.517 0 40 FHAB C[C@@]1(CCc2ccc(O)cc2)Nc2ccccc2C(=O)N1C[C@@H]1CCCO1 52806755 RYEXBLDYCYLHPS-PGRDOPGGSA-N 366.461 3.788 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)O)c3c2)c(C)c1 4660893 FSHWCROCQKCHCS-UHFFFAOYSA-N 359.403 3.857 0 40 FHAB COc1cc(C)c(CN(C)CC(=O)Nc2c(C)cccc2C)cc1OC 7452260 HORIMOLIFZWYBT-UHFFFAOYSA-N 356.466 3.700 0 40 FHAB COC(=O)c1ccc2c(c1)[C@H]1C[C@](C)(O2)N(c2ccc(F)cc2F)C(=O)N1 101085168 IOKWDTUDCFPOIM-KUHUBIRLSA-N 374.343 3.521 0 40 FHAB CCC[C@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 10314652 CKWHIJDYKQYWKR-HNNXBMFYSA-N 360.479 3.714 0 40 FHAB Fc1ccc(-c2ccc(CNCCc3nnc4ccccn34)s2)cc1 22817783 ODHRKBRIIDWABD-UHFFFAOYSA-N 352.438 3.929 0 40 FHAB C[C@@H](OC(=O)c1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc(F)cc1 22975799 SIYKLCICWSEKHU-CHWSQXEVSA-N 354.381 3.730 0 40 FHAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1-n1cnnn1 12389068 VHMMYVXSRVXXJI-UHFFFAOYSA-N 367.718 3.587 0 40 FHAB Cc1cc(C)c(CNc2nc(-c3cccnc3)nc3ccccc23)c(=O)[nH]1 8375160 LGBKERVSRMXYNI-UHFFFAOYSA-N 357.417 3.609 0 40 FHAB COC(=O)c1ccc(/C=C2/S/C(=N/c3ccccc3F)NC2=O)cc1 8564501 RJQSHJFSUNZCAR-XNTDXEJSSA-N 356.378 3.504 0 40 FHAB COC(=O)c1sccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 1029065 KRHGLEYNYMDZLW-UHFFFAOYSA-N 366.247 3.642 0 40 FHAB CC(=O)OCc1c(OC(C)=O)ccc2c(=O)c(-c3ccc(F)cc3)coc12 57312201 HOTUNTMBBFVKNL-UHFFFAOYSA-N 370.332 3.588 0 40 FHAB O=C(CSc1nc2ccccc2[nH]1)Nc1ccccc1N1CCCC1 12506470 JPYWOWFZAUMDLJ-UHFFFAOYSA-N 352.463 3.894 0 40 FHAB O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCCN1C(=O)C1CCCCC1 47892291 XFPYOYWQNJJDHS-ARFHVFGLSA-N 374.447 3.795 0 40 FHAB O[C@]1(c2ccc(Cl)cc2)C[N+](CCc2ccccc2)=C2SCCCN21 3227385 MLNPUTPUCHBEEC-FQEVSTJZSA-N 373.929 3.549 0 40 FHAB Cc1ccc(CN(C)C(=O)CSc2ncnc3sc(C)c(C)c23)o1 10028366 NVAMDXULDBTUSL-UHFFFAOYSA-N 361.492 3.960 0 40 FHAB Cc1ccc(SCC(=O)NCc2ccccc2-n2ccnc2C)cc1 20492697 SYDPHDCITWEFHC-UHFFFAOYSA-N 351.475 3.898 0 40 FHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(=O)OC)cc1C 48116075 MJIYLNKKESBOOD-UHFFFAOYSA-N 370.405 3.564 0 40 FHAB CCOC(=O)c1ccc(N2C(=O)C[C@@H]([C@@H](C)c3ccccc3)C2=O)cc1 2218959 NPBSKIBOOTZWLV-KSSFIOAISA-N 351.402 3.547 0 40 FHAB C[C@@H](c1cccnc1)N1CCN(C(=O)[C@H](C)c2cc3ccccc3o2)CC1 176397442 MLHYGESMPBWNMS-SJORKVTESA-N 363.461 3.837 0 40 FHAB C[C@@H](NC(=O)CNC(=O)Nc1ccccc1)c1ccc(Cl)c(Cl)c1 24828349 WVEFZQGQHAOUGS-LLVKDONJSA-N 366.248 3.992 0 40 FHAB COc1ccc(-n2ccnc2S[C@H](C)C(=O)N2CCC(C)CC2)cc1 11395258 FBFVIJDBRWXSNT-OAHLLOKOSA-N 359.495 3.620 0 40 FHAB CCc1nnc([C@@H]2Cc3ccccc3CN2Cc2cn3ccccc3n2)o1 59368220 HUFJPRWZXKVIHK-SFHVURJKSA-N 359.433 3.579 0 40 FHAB COc1cc(/C=C/C(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)cc(OC)c1 12782561 QZLDMCXBXIGAAP-HABDOHHLSA-N 357.372 3.954 0 40 FHAB Cc1ccc(C(=O)NCc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)s1 48344697 OVZXKIHXNOFDIT-HUUCEWRRSA-N 358.507 3.596 0 40 FHAB CS(=O)(=O)Nc1ccc(-c2csc(CCc3ccccc3)n2)cc1 48356552 DJMMOEHBJZAWEC-UHFFFAOYSA-N 358.488 3.967 0 40 FHAB COC(=O)c1ccc(CSc2nnc(C)n2Cc2ccccc2)cc1 3411447 BKIGHPJVAZHTHS-UHFFFAOYSA-N 353.447 3.714 0 40 FHAB CC(=O)c1ccc(NC(=O)COc2ccc(F)cc2Br)cc1 3510497 QPADRMMKVSCRMO-UHFFFAOYSA-N 366.186 3.808 0 40 FHAB CCOc1ccc(C(C)=O)cc1COC(=O)c1ccc(OC)c(OC)c1 3513443 QGSMXTYQCDLKQE-UHFFFAOYSA-N 358.390 3.662 0 40 FHAB Cc1cc(C(=O)Nc2ccc(C(=O)N(C)C)cc2)c(C)n1Cc1ccco1 12929444 UKNPOWUXGKIAOE-UHFFFAOYSA-N 365.433 3.700 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N(C)Cc1ccc(OC)c(OC)c1 20492191 BSNDQTZBFHEWMZ-GOSISDBHSA-N 373.449 3.528 0 40 FHAB COC(=O)CSc1nc(O)c2c3c(sc2n1)C[C@@H](C(C)(C)C)CC3 18155835 ZTQNTAITRGSHHG-VIFPVBQESA-N 366.508 3.813 0 40 FHAB O=C(Cn1ccc(=O)c2ccccc21)Nc1ccc(-c2ccccc2)cn1 84562677 CFILZYCHTQNQOH-UHFFFAOYSA-N 355.397 3.702 0 40 FHAB Cc1ccc(SCCNC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 8708178 WCXFRLRODHBFLN-KRWDZBQOSA-N 372.515 3.706 0 40 FHAB C[C@@H]1CCN(C(=O)COC(=O)c2ccccc2F)c2ccccc2S1 6059122 YCHILGJRHLTGGQ-CYBMUJFWSA-N 359.422 3.900 0 40 FHAB COc1ccc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1Cl 6084682 JOWVIORRJKMKLQ-UHFFFAOYSA-N 372.808 3.554 0 40 FHAB CCN1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccco2)CC1 5089686 GPHHQFHUXSMXBX-SOFGYWHQSA-N 359.857 3.727 0 40 FHAB Nc1nc(CSc2nncn2-c2cccc(Cl)c2)nc2ccccc12 18332712 DRDBJOCLRIJILH-UHFFFAOYSA-N 368.853 3.738 0 40 FHAB CC(=O)Nc1nc2ccc(C(=O)N[C@H](C)CCc3ccco3)cc2s1 13727919 WQPCCNZXTPAAGF-LLVKDONJSA-N 357.435 3.599 0 40 FHAB COc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)C(C)C)cc1 13779275 OQHLXTQHAWXRNK-UHFFFAOYSA-N 350.418 3.726 0 40 FHAB CN(C)C(=O)C1CCN(CCSc2cc(Cl)ccc2Cl)CC1 72802424 CWOPWMJAQCIFIR-UHFFFAOYSA-N 361.338 3.886 0 40 FHAB COc1cccc(-n2nnc(C(=O)Nc3ccc(C)c(Cl)c3)c2C)c1 4315614 ZSCVOSYGKXBJOG-UHFFFAOYSA-N 356.813 3.798 0 40 FHAB CCOc1cccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CC)c1 8845821 BHZHBTBOIMJZJV-HXUWFJFHSA-N 363.417 3.746 0 40 FHAB COc1ccc(CN2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1F 95392985 IVKXITUGSLMUFL-OAHLLOKOSA-N 352.450 3.714 0 40 FHAB C[C@H](Oc1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cn1)c1ccccc1 65522096 QLXBVHRGYCLPSD-ZDUSSCGKSA-N 374.400 3.644 0 40 FHAB Cc1ccc(-c2noc(CSc3nnc(-c4ccco4)n3C)n2)cc1 6477789 ZVOKVQSHLLDBFL-UHFFFAOYSA-N 353.407 3.726 0 40 FHAB O=C(Nc1ccccc1Cl)c1cccc(N2CCCCS2(=O)=O)c1 5439245 DPRONODDMNURCE-UHFFFAOYSA-N 364.854 3.522 0 40 FHAB COc1cccc(-c2noc(CCC(=O)Nc3ccc(Cl)cc3)n2)c1 5563110 ZPXJNADNBCGUPQ-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB CC(=O)Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1 14604285 UJFJTNONQHKZTO-UHFFFAOYSA-N 365.355 3.982 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)CCCOc1ccc(C)cc1 14793412 ZNNIBDJBOUISGZ-UHFFFAOYSA-N 356.422 3.760 0 40 FHAB Cc1cc(O)nc(S[C@@H](C(=O)NCc2ccccc2)c2ccccc2)n1 9094762 DBNMVWDRHIDWMN-GOSISDBHSA-N 365.458 3.640 0 40 FHAB O=C(OCC(=O)N(c1ccccc1)C1CCCCC1)c1cccc(O)c1 5754877 JJKNSDGVVMZKRG-UHFFFAOYSA-N 353.418 3.915 0 40 FHAB CCC(=O)c1ccc(OCC(=O)NC(=O)Nc2ccc(C)cc2C)cc1 5748069 ZQZQAYVIFFRGAX-UHFFFAOYSA-N 354.406 3.623 0 40 FHAB Cc1ccc(CNC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1 6841023 QCGYICRDZZWSES-UHFFFAOYSA-N 352.217 3.775 0 40 FHAB Cc1nc(Cl)cc(N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)n1 66811915 YLBPBTDDWRVLHX-UHFFFAOYSA-N 354.845 3.608 0 40 FHAB CSc1cccc(NC(=O)COc2cccc(N3CCCC3=O)c2)c1 7064033 ANRRXBHIKKZDCH-UHFFFAOYSA-N 356.447 3.553 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 15425431 QGKMJAYSDNPVGM-MRXNPFEDSA-N 367.449 3.886 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(NC2CC2)s1 7577342 AQLHTFHQDLHTPR-UHFFFAOYSA-N 354.888 3.805 0 40 FHAB COc1ccc2nc(S[C@@H](C)C(=O)Nc3ccccc3OC)[nH]c2c1 9219629 WFPKCKVHCLTRHS-NSHDSACASA-N 357.435 3.699 0 40 FHAB O=C(/C=C/c1c(Cl)nc2ccccn12)N[C@H]1C[C@@H]1c1ccc(F)cc1 84606523 VBYJMOTUCREWLJ-PQAPVRDISA-N 355.800 3.812 0 40 FHAB CC(C)[C@@H](NC(=O)Nc1cc(F)cc(F)c1)c1nc(-c2cccnc2)no1 68555873 MMUOETZPLVKRRF-OAHLLOKOSA-N 373.363 3.929 0 40 FHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)COc2ccccc2F)c1 7889138 KKZOSURKSIBDKX-QGZVFWFLSA-N 359.397 3.585 0 40 FHAB C[C@@H](NC(=O)C1(c2ccc(F)cc2)CC1)c1nc(-c2ccc(F)cc2)no1 69351520 PRKKNOLCGLXQSO-GFCCVEGCSA-N 369.371 3.924 0 40 FHAB CCC(=O)c1ccc(OC[C@@H](O)CN[C@H]2CCSc3ccccc32)cc1 8328166 JCBYCIOFXHPMEI-LPHOPBHVSA-N 371.502 3.846 0 40 FHAB Cc1cc(C(=O)Nc2nc3ccccc3n2C)c2c(C)nn(C(C)C)c2n1 17074556 FCAVSMITOFXDHN-UHFFFAOYSA-N 362.437 3.768 0 40 FHAB C[C@@H]1CN(Cc2ccn(-c3cccc(F)c3)n2)C[C@H](c2ccccc2)O1 84714184 IBKZXKUXGOFREK-IIBYNOLFSA-N 351.425 3.973 0 40 FHAB C[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)s1)c1nnc2n1CCC2 71846608 NBQMLIZPRZQKAS-NSHDSACASA-N 356.426 3.583 0 40 FHAB Cc1noc(C)c1[C@@H](C)NC(=O)N[C@H](Cc1ccccc1)C(F)(F)F 95421881 PGDXNCQLYFEPMG-QMTHXVAHSA-N 355.360 3.825 0 40 FHAB C[C@H](NC(=O)c1ccc(-n2cccn2)cc1)[C@H]1CCN(Cc2ccccc2)C1 95466112 JJQZNWCHTXZVPX-RXVVDRJESA-N 374.488 3.513 0 40 FHAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-n2ccnc2)nc1 95963598 WMVZPOXHLFHJKT-HNNXBMFYSA-N 356.813 3.717 0 40 FHAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2nc(C3CC3)cs2)CC1=O 74526072 GLXHBJSBDWDJHU-WFASDCNBSA-N 355.463 3.569 0 40 FHAB Cc1nc(C2CCCC2)sc1C(=O)N[C@@H](C)[C@@H](O)Cc1ccccc1 89559313 VPXPUTVHRHTBHG-GUYCJALGSA-N 358.507 3.831 0 40 FHAB O=C(Nc1ccc(Oc2cccnc2)nc1)c1cc(-c2ccccc2)[nH]n1 89791957 DDQVEMADBITIQG-UHFFFAOYSA-N 357.373 3.911 0 40 FHAB COc1cc(/C=C2\SC(=N)NC2=O)ccc1OCc1ccccc1F 36245392 MKROYPKCYJFPAT-SXGWCWSVSA-N 358.394 3.552 0 40 FHAB Cn1c(SCc2ccccc2)nnc1-c1sc2ncccc2c1N 35477236 JVCTXCQQSHIKCL-UHFFFAOYSA-N 353.476 3.966 0 40 FHAB CC1=C(C(N)=O)[C@@H](c2cccc(Cl)c2Cl)NC(SC(C)C)=N1 33858566 SOEYXVIAGUMDPR-CYBMUJFWSA-N 358.294 3.895 0 40 FHAB O=C(C[C@H](c1ccsc1)n1cccc1)Nc1ccc(OCCO)cc1 524735459 DCBFJPDTBPYWTP-GOSISDBHSA-N 356.447 3.539 0 40 FHAB O=C(Cc1ccccc1Cl)NCCCNc1ccc(C(F)(F)F)cn1 32912002 ULWAIJXVCCKMOT-UHFFFAOYSA-N 371.790 3.915 0 40 FHAB CCOC(=O)CSc1nnc(CSc2nc3ccccc3s2)o1 36644101 RPLMBKFACQKRKT-UHFFFAOYSA-N 367.477 3.627 0 40 FHAB Cc1cc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2C2CC2)on1 72340339 JKUBXIZGPHRUCC-UHFFFAOYSA-N 350.378 3.658 0 40 FHAB N[C@H]1C(=O)N(c2ccc(Br)cc2)[C@@H]1c1cccc(Cl)c1 72227308 GPKMRNYMPWWSLH-ZIAGYGMSSA-N 351.631 3.518 0 40 FHAB O=C(c1cc[nH]n1)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 72349801 DJIFMAYBULPZJC-INIZCTEOSA-N 364.424 3.554 0 40 FHAB CN(Cc1cccn1C)c1ncc(-c2cnccn2)c(-c2cccs2)n1 72340286 BPLLOFVVPVRIQK-UHFFFAOYSA-N 362.462 3.637 0 40 FHAB O=C(CCOc1ccc(Cl)cc1)NCCc1ccc(-n2cccn2)cc1 40106490 WIZCGOFXRJHJHF-UHFFFAOYSA-N 369.852 3.654 0 40 FHAB COC(=O)C1CCN(C(=O)CCCSc2ccc(Cl)cc2)CC1 44193042 SGWRBAORMQTNJZ-UHFFFAOYSA-N 355.887 3.624 0 40 FHAB COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COC(C)C 224428226 KIWFZIOEXDMVCS-UHFFFAOYSA-N 356.422 3.831 0 40 FHAB CC(=O)N1CCC[C@H](C(=O)Nc2ccccc2N(C)c2ccccc2)C1 44571351 MLRCSWFYMSVJGK-KRWDZBQOSA-N 351.450 3.652 0 40 FHAB C[C@H](Cc1ccc2c(c1)CCO2)NS(=O)(=O)c1cccc2ccccc12 225602478 PWSDHCRVUABSAL-OAHLLOKOSA-N 367.470 3.684 0 40 FHAB C[C@@H](NC(=O)c1cccn1C)c1c(-c2ccc(Cl)cc2)noc1C(=O)O 96296845 CPLRLWZHZNRYOL-SNVBAGLBSA-N 373.796 3.523 0 40 FHAB biogenic,in-vitro COc1ccc(-c2n[nH]c(C)c2CC(=O)NCc2c(F)cccc2F)cc1 96231220 HBEFNAIOTYWWCL-UHFFFAOYSA-N 371.387 3.531 0 40 FHAB Cc1ccc(C(=O)N2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)cc1C 98211675 IIXMBLNTUOZKOH-UHFFFAOYSA-N 360.461 3.656 0 40 FHAB CCOc1cc([C@H](N)c2n[nH]c(-c3ccccc3Cl)n2)ccc1OC 95534426 PGYGWCUGNFNEEO-INIZCTEOSA-N 358.829 3.581 0 40 FHAB CCn1c(CN2CCC[C@@H]2Cc2ccccc2)nc2cc(C(=O)O)ccc21 581256408 UZTJOLYQXADVSJ-GOSISDBHSA-N 363.461 3.962 0 40 FHAB Cc1ccc(CN2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)s1 248113451 RPOKHDYDPWYAEF-YSIASYRMSA-N 358.507 3.648 0 40 FHAB Cc1cccc(N2CCN(C(=O)Nc3nnc(C(C)C)s3)CC2)c1C 43696492 BVMNCWKVUSBBLV-UHFFFAOYSA-N 359.499 3.632 0 40 FHAB Cc1ccc(Nc2nc([C@@H]3CCCN(Cc4cncn4C)C3)cs2)nc1 257263418 LPVGYLFLICXWGU-OAHLLOKOSA-N 368.510 3.703 0 40 FHAB O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1nccc2ccsc12 623943864 MEMCOYFTSWMLIZ-UHFFFAOYSA-N 365.458 3.965 0 40 FHAB CN(Cc1ccccc1)C[C@@H](O)COc1ccc(Cl)c2cccnc12 677296032 ZHIZHWHIUZCLEV-MRXNPFEDSA-N 356.853 3.760 0 40 FHAB COc1ccccc1[C@H](CNC(=O)c1ccccc1C(F)(F)F)OC 96384632 UVCQLXCOPHRTPQ-INIZCTEOSA-N 353.340 3.832 0 40 FHAB O=C(NC1(c2cccs2)CCOCC1)c1ccc(C(F)(F)F)nc1 390828356 QRLWRXKEECAYRV-UHFFFAOYSA-N 356.369 3.598 0 40 FHAB CO[C@@H]1CN(Cc2ccc(C(=O)O)cc2)CC[C@@H]1Cc1cccc(F)c1 585279454 MMYFOHYRIYOSIG-UYAOXDASSA-N 357.425 3.604 0 40 FHAB CC1(C(=O)NC[C@@H]2OCCc3cn(Cc4ccccc4)nc32)CCCCC1 585111541 UYOCKXLVHZGPNF-IBGZPJMESA-N 367.493 3.632 0 40 FHAB COc1cccc2cc(C(=O)N[C@@H](C)c3ccc4nc(O)oc4c3)oc12 1543385988 HQCGADCGVDNTMA-JTQLQIEISA-N 352.346 3.779 0 40 FHAB COc1ccncc1NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 78092983 YWZVAUQEGQWLRR-UHFFFAOYSA-N 362.311 3.547 0 40 FHAB CC(C)C[C@@H](NC(=O)c1ccccc1)c1nc2c3ccccc3ncn2n1 1615055872 RWIHPGLYWUFESL-GOSISDBHSA-N 359.433 3.795 0 40 FHAB CCc1ccc2c(c1)CN(S(=O)(=O)c1cc(F)c(C)cc1F)CC2 1664920072 NERNBHIHDGMCHJ-UHFFFAOYSA-N 351.418 3.583 0 40 FHAB O[C@@H](CNc1ncc(Br)cn1)c1cc(-c2ccco2)cs1 1775970818 RRMSFTVFSGRVCI-NSHDSACASA-N 366.240 3.706 0 40 FHAB O=C(Nc1ccccc1)C1CCN(C(=O)c2ccccc2OC(F)F)CC1 11331535 SGMMVRUTTLSODX-UHFFFAOYSA-N 374.387 3.779 0 40 FHAB Cc1cc(C)n(CCCC(=O)N[C@@H](Cc2ccsc2)c2cccnc2)n1 12228534 QWNXIOCDTSKJFF-IBGZPJMESA-N 368.506 3.837 0 40 FHAB COc1ccc(-c2nc(CC(=O)NCc3ccccc3OC)cs2)cc1 14019436 OQWCDWVLOZAFQH-UHFFFAOYSA-N 368.458 3.686 0 40 FHAB Cn1cc(CN(Cc2ccccn2)C[C@H]2CCCO2)c2cc(F)ccc21 19290343 ZIQYEMUWTSRNPA-LJQANCHMSA-N 353.441 3.894 0 40 FHAB C[C@@H](CCN1CC[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1)c1ccccc1 19455608 WTNDVPBYVSXRMO-FXAWDEMLSA-N 374.488 3.815 0 40 FHAB Cn1cc(-c2csc(NC(=O)c3cccnc3)n2)c(-c2ccccc2)n1 19697093 APPZKCLABKPCTE-UHFFFAOYSA-N 361.430 3.858 0 40 FHAB O=C(NC(=S)Nc1cccc(-c2ccc(C(=O)O)o2)c1)c1ccccc1 226355477 IDTQOZHJCQMOJH-UHFFFAOYSA-N 366.398 3.772 0 40 FHAB CC[C@H](C(=O)NCC1CCN(C2CCSCC2)CC1)c1ccccc1 252572607 ZMOFMUCVSCEMKM-FQEVSTJZSA-N 360.567 3.904 0 40 FHAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H]1CCCOc2c(Cl)cccc21 678881539 LRFUKLFCKICXSL-MEDUHNTESA-N 361.873 3.824 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 2662204 LPSZYAIWWGXNAD-WMLDXEAASA-N 370.522 3.932 0 40 FHAB CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 3360134 GWSCXNLQFQKHDR-UHFFFAOYSA-N 374.245 3.971 0 40 FHAB COc1ccc(C(=O)CSc2nc(-c3cccs3)n[nH]2)cc1OC 5017220 RAYONJHXPPVJIE-UHFFFAOYSA-N 361.448 3.525 0 40 FHAB COc1ccc(C(=O)NCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1 6085604 SSOAWYWHMQGMAZ-UHFFFAOYSA-N 360.413 3.731 0 40 FHAB CSc1ncccc1C(=O)N1CCC(c2ccc3cccnc3n2)CC1 1888897228 VIAYKNHUEBRJQF-UHFFFAOYSA-N 364.474 3.767 0 40 FHAB FC(F)(F)c1ccnc(N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)n1 1776009782 QGTZWBORMIQXRC-QWRGUYRKSA-N 357.767 3.718 0 40 FHAB Cc1cccc(NC(=O)CN2C(=O)C(c3ccc(Cl)cc3)=NC2(C)C)c1 2713164 HRAPEYRZKMAXRD-UHFFFAOYSA-N 369.852 3.655 0 40 FHAB Cc1ccc(-n2ccnc2N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)cc1 12444660 PFBBPOZDOYENEG-UHFFFAOYSA-N 374.488 3.760 0 40 FHAB O=C(Cc1csc(Nc2ccccc2)n1)Nc1ccc2c(c1)OCO2 16850025 ZGVINEWMAQAOGS-UHFFFAOYSA-N 353.403 3.797 0 40 FHAB C[C@](O)(CNC(=O)Cc1ccsc1)c1ccc(-c2ccccc2)cc1 206702710 VZWUNVWRJXUUEG-NRFANRHFSA-N 351.471 3.982 0 40 FHAB CCOC(=O)c1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(N)=O)cc1 17306456 HMMDFCCMDCTTME-PYCFMQQDSA-N 370.792 3.594 0 40 FHAB CC1=NN(c2ccc(C(=O)N3CCC(Nc4ccccc4)CC3)cc2)CC1 50174158 RPUONYNTUWFEPU-UHFFFAOYSA-N 362.477 3.989 0 40 FHAB CCCCn1c(S[C@@H](C)c2nc3ccccc3n2C(F)F)n[nH]c1=O 30672815 ALNUMMFFZHSMOT-JTQLQIEISA-N 367.425 3.970 0 40 FHAB O=C(Nc1ccccc1F)[C@@H]1CC(O)=Nc2cc(-c3ccccc3)nn21 20734512 XTHQDFVGRGOHRH-INIZCTEOSA-N 350.353 3.861 0 40 FHAB Cc1cc(C(=O)CCC(=O)Nc2ccccc2C(=O)NC2CC2)c(C)s1 32904891 VPXRYPNPVIDQHD-UHFFFAOYSA-N 370.474 3.859 0 40 FHAB O=C(c1ccc(CSc2cccc3cccnc23)cc1)N1CCOCC1 1083538 HXJJISQIEPYDSK-UHFFFAOYSA-N 364.470 4.000 0 40 FHAB O=C(CN1CC[C@H]1c1ccc(Cl)cc1)NCCCOCc1ccccc1 76093268 SPKBTPZXQSGTTD-FQEVSTJZSA-N 372.896 3.810 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1 1379431 JUHWQDKQOBCABJ-KRWDZBQOSA-N 371.412 3.859 0 40 FHAB COc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 1943858 FKAYJVCWYIXXEH-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB CC(C)N(C(=O)CS(=O)(=O)Cc1ccccc1Cl)c1ccccc1 32929761 OCYYSUJRYBITHR-UHFFFAOYSA-N 365.882 3.696 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)CSCc1cc(=O)n2ccccc2n1 46805535 IIUXYBPJMBSYAD-UHFFFAOYSA-N 363.442 3.600 0 40 FHAB CC[C@@]12CCCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4CC1)[C@H]32 4097860 ARQOGCYMPUOVHK-ZHHKINOHSA-N 354.494 3.726 0 40 FHAB endogenous,in-man O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1 4899281 QNIQCNVCVMLXAZ-NJYVYQBISA-N 370.408 3.738 0 40 FHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C)cc2)cc1Br 50010867 KCVFBXZAHZCITL-UHFFFAOYSA-N 370.268 3.591 0 40 FHAB CCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)C(C)C 12391799 IZEXZSLLCMHRPZ-UHFFFAOYSA-N 362.495 3.942 0 40 FHAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cccc2ccccc12 22462316 NTWQWDJRUZLNSE-UHFFFAOYSA-N 352.478 3.605 0 40 FHAB CN1CCN(c2ccc(NC(=O)Nc3cccc4ccccc34)cn2)CC1 22473500 ULYVISZOTMFNQK-UHFFFAOYSA-N 361.449 3.631 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@H](C)N1CCN(Cc2ccsc2)CC1 22916259 NRSJWIRQZZRPED-KRWDZBQOSA-N 357.523 3.510 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(C)[C@H](C)c1cccs1 24237081 GJXFGGXPOKQWSI-CQSZACIVSA-N 367.474 3.953 0 40 FHAB CCOCc1ccccc1CNC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 24774079 LYOCNRJAAATAPF-QRWLVFNGSA-N 366.461 3.748 0 40 FHAB O=c1oc2ccccc2n1Cc1cccc(Cn2c(=O)oc3ccccc32)c1 24842187 GPPVPWQYBAYURC-UHFFFAOYSA-N 372.380 3.599 0 40 FHAB Cc1cccc(N2CCN(Cn3c(=O)oc4cc(Cl)ccc43)CC2)c1C 12550251 XPUWQBPBQDEGDU-UHFFFAOYSA-N 371.868 3.644 0 40 FHAB CN(C)c1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 12537116 ATAFPQARYYJAGZ-LJQANCHMSA-N 366.461 3.891 0 40 FHAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1ccco1 25513819 YKTUQVLXASVILJ-ZDUSSCGKSA-N 352.312 3.542 0 40 FHAB Cc1ccc(C)c(NC(=O)COc2cc(C)nc(N3CCCCCC3)n2)c1 44170004 AYAQIKQLZHZDCZ-UHFFFAOYSA-N 368.481 3.800 0 40 FHAB Cc1cc(OCC(=O)Nc2cccc(Cl)c2C)nc(N2CCCCC2)n1 44168260 FHXPIHAWULSHID-UHFFFAOYSA-N 374.872 3.755 0 40 FHAB Cc1ccccc1NC(=S)N1[C@H]2CCC[C@H]1CC(NC(=O)C1CC1)C2 100427065 XLYLAVNIFGEZHC-IRXDYDNUSA-N 357.523 3.604 0 40 FHAB C[C@H](CNC(=O)C(Cl)(Cl)Cl)OC(=O)Nc1cccc(Cl)c1 1879853 DXYKAKWMWZLQDR-SSDOTTSWSA-N 374.051 3.763 0 40 FHAB CNC(=O)c1ccc(OC)c(NC(=O)N[C@H](C)c2cccc(Cl)c2)c1 57701481 ZFGWUSKQXOHCPQ-LLVKDONJSA-N 361.829 3.591 0 40 FHAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)N1CCSc2ccccc21 57963293 RHISPFNTPUKHGI-UHFFFAOYSA-N 374.849 3.777 0 40 FHAB CCc1nc(CNCc2cccc(C(=O)NCc3ccco3)c2)cs1 58216850 ALUQNQBUNCNERM-UHFFFAOYSA-N 355.463 3.518 0 40 FHAB CCN(C[C@@H]1CCOC1)C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 58213940 VHLMBLXXZXKAIK-KRWDZBQOSA-N 366.461 3.746 0 40 FHAB COc1ccc(CCCNC(=O)N2CCC[C@@H]2c2ccncc2)cc1OC 58292528 MNLZJPXYIHBLPR-GOSISDBHSA-N 369.465 3.578 0 40 FHAB CSc1ccc(NC(=O)[C@H](NC(=O)NCc2ccccc2)C(C)C)cc1 25351756 HMRWDIGHONWEQU-GOSISDBHSA-N 371.506 3.871 0 40 FHAB CCn1cc(C(=O)N[C@@H](C)c2ccccc2OC)c(=O)c2ccccc21 22234548 MQBBOGLSSAUXAW-AWEZNQCLSA-N 350.418 3.521 0 40 FHAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)NCCc1cccc(Cl)c1)[C@H]2C(=O)O 101393818 RETBMQRJDXWTDX-ONIAQPFYSA-N 361.869 3.692 0 40 FHAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)CN1C[C@@H](C)C[C@@H](C)C1 12765166 LDKPHILEGVYYTH-OKILXGFUSA-N 366.527 3.965 0 40 FHAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)c1 24262579 IBAMNISATOQKBG-UHFFFAOYSA-N 367.426 3.526 0 40 FHAB O=C(NC1CCCCC1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 69352810 HEUQIJJPUGOSJR-GFCCVEGCSA-N 354.372 3.507 0 40 FHAB Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3nncs3)cc12 11054990 CLCHGTNHOKESMD-UHFFFAOYSA-N 355.448 3.558 0 40 FHAB O=C(Nc1c(F)cccc1F)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 45829462 OGPLJTPEIIUGIA-SNVBAGLBSA-N 350.752 3.610 0 40 FHAB O=C(/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2[nH]1)N1CCOCC1 13101298 JEOMLWLFXVNIGC-DTQAZKPQSA-N 367.836 3.616 0 40 FHAB CCCOc1ccc(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)cc1 408713841 AJMPMIBJFKRUPK-UHFFFAOYSA-N 351.406 3.798 0 40 FHAB CCOc1ccc2c(c1)S[C@@H](CC(=O)Nc1ccc(OC)cc1)C(=O)N2 5009852 OANGAOCJXNZCBR-KRWDZBQOSA-N 372.446 3.536 0 40 FHAB O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1nccc2ccccc12 65478637 VTNVGEHIZNKUDF-UHFFFAOYSA-N 368.820 3.632 0 40 FHAB Cc1cc2oc(=O)cc(Cn3cnc4ccccc4c3=O)c2cc1C(C)C 5316221 BXUZAYKDJDWTOE-UHFFFAOYSA-N 360.413 3.983 0 40 FHAB Cc1ccc(S(=O)(=O)NCCOC23CC4CC(CC(C4)C2)C3)cc1C 4580665 SAGTWNGNNXKGMX-UHFFFAOYSA-N 363.523 3.567 0 40 FHAB O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Br)c(Cl)c1 4522538 BRNUHOSGBYYTJJ-ZJUUUORDSA-N 360.635 3.932 0 40 FHAB CCCn1nc(C(=O)N2CCc3sccc3[C@@H]2C)c2ccccc2c1=O 14241255 QGENJDKFYSJELZ-ZDUSSCGKSA-N 367.474 3.628 0 40 FHAB COc1ccccc1NC(=O)COc1ccc2c(C(C)C)cc(=O)oc2c1 5466385 ZTRUEYNDBVXWAD-UHFFFAOYSA-N 367.401 3.943 0 40 FHAB COc1cc(C)c(NC(=O)COCc2nc3ccccc3s2)cc1OC 6789508 SJPHXNAINOBWGK-UHFFFAOYSA-N 372.446 3.777 0 40 FHAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OC)cc2c1=O 5796727 YMHRUWCREUSVNB-UHFFFAOYSA-N 354.358 3.654 0 40 FHAB O=C(O)c1ccc(CSc2n[nH]c(COc3ccc(Cl)cc3)n2)o1 408554426 RXRZEXLZAZACPV-UHFFFAOYSA-N 365.798 3.621 0 40 FHAB O=C(c1cc2ccccc2o1)N1CCC(C(=O)N2CCCCCC2)CC1 6987415 MPXVLZUUNARPSU-UHFFFAOYSA-N 354.450 3.688 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1C 5979350 ADQCKQKOIRBEHC-JHMRYYBSSA-N 358.482 3.753 0 40 FHAB Cc1occc1-c1nnc(SCc2cc(=O)oc3cc(O)ccc23)o1 7194800 UPKSGOAVKFCDRC-UHFFFAOYSA-N 356.359 3.742 0 40 FHAB CCCO[C@H]1CCCN(C(=O)Nc2cccc(-n3nc(C)cc3C)c2)C1 67665903 XYOYEVPOKORIQW-IBGZPJMESA-N 356.470 3.912 0 40 FHAB COc1cc(OC)c(NS(=O)(=O)c2cc(C)ccc2C)cc1Cl 7381488 JJJYTCZWRZJSQX-UHFFFAOYSA-N 355.843 3.775 0 40 FHAB CC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 7777747 AJFJVYKRFNGJOY-CYBMUJFWSA-N 356.809 3.534 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1cccs1 16172402 ANJRPIAKEMUOQZ-GOSISDBHSA-N 367.474 3.531 0 40 FHAB CCN(CC(=O)NC(C)(C)C)C(=O)CCCC(=O)c1c(C)cc(C)cc1C 70007498 TZOFHINDUKWTHZ-UHFFFAOYSA-N 374.525 3.728 0 40 FHAB Cc1cc(C(=O)Cn2cnc3cc(Cl)ccc3c2=O)c(C)n1C(C)C 9724612 YADWTCULTINGKH-UHFFFAOYSA-N 357.841 3.932 0 40 FHAB COCc1c(Br)cccc1NC(=O)c1cccc(C(=O)O)c1 95464118 PDHYFEBRMSAJDF-UHFFFAOYSA-N 364.195 3.546 0 40 FHAB CCOc1ccc(-c2nc(CC(=O)N3CCCSCC3)cs2)cc1 84809406 BUJVESDEWLRRSZ-UHFFFAOYSA-N 362.520 3.717 0 40 FHAB O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1cccs1 9908878 AVPANVLTNOSSNC-UHFFFAOYSA-N 371.487 3.961 0 40 FHAB C[C@H]1CN(CCCCNC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 75110080 XTLCTTFSOAVKJS-OKILXGFUSA-N 373.419 3.716 0 40 FHAB COc1cc(-c2noc(-c3nnc(O)c4ccccc34)n2)c2ccccc2n1 545741085 GBCMCKREKUYHAJ-UHFFFAOYSA-N 371.356 3.609 0 40 FHAB Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN2C(=O)c2ccccc2)n1 72354609 QAFIFIHSQLHUJN-SFHVURJKSA-N 362.408 3.842 0 40 FHAB CC(C)Cc1ccc(C(=O)CCC(=O)Nc2cccc3c2CNC3=O)cc1 554045815 BZDXJJWKMPYVCO-UHFFFAOYSA-N 364.445 3.730 0 40 FHAB C[C@]12Cc3cnc(N)nc3C[C@@H]1CC[C@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]2(C)O 33736330 NPDFNGCPXMLQER-PLWXZJPMSA-N 355.526 3.767 0 40 FHAB Cc1cc(C)cc(OCCOc2ccc(/C=C3/SC(=N)NC3=O)cc2)c1 33419696 NIGMQOAVUAUWLZ-LDADJPATSA-N 368.458 3.900 0 40 FHAB CC(=O)NCc1cnc([C@H]2CCCN2C2CCCC2)cc1C(F)(F)F 72355972 JBAQVYLEWIMHEY-QGZVFWFLSA-N 355.404 3.816 0 40 FHAB O=C(CCn1ncc2c(Cl)cccc21)Nc1cc(-c2ccncc2)n[nH]1 72255993 HOTKCCJHGVOBRL-UHFFFAOYSA-N 366.812 3.504 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cc(N)ccc2N2CCCC[C@H]2C)cc1 226255913 ROGYZVSIKJWMSF-OAHLLOKOSA-N 359.495 3.757 0 40 FHAB COc1cccc(O[C@@H](C)C(=O)Nc2nnc(-c3ccc(C)cc3)s2)c1 223993160 FRMYBGJHMBEGFN-ZDUSSCGKSA-N 369.446 3.928 0 40 FHAB Cc1ccccc1CSCC(=O)NCc1ccccc1-n1ccnc1 44901315 RQDZIJDDNIDBGY-UHFFFAOYSA-N 351.475 3.730 0 40 FHAB CC(C)c1nc(Cc2ccc(NC(=O)COc3ccccc3)cc2)no1 226092112 LEEBYXGTCXUAHW-UHFFFAOYSA-N 351.406 3.801 0 40 FHAB C[C@H](NC(=O)N1CCO[C@H](c2cccc(Cl)c2)C1)c1cncc(F)c1 331642970 VECBBIQCGTZEDB-SJCJKPOMSA-N 363.820 3.718 0 40 FHAB O=C(Nc1cccc(F)c1)[C@H]1C[C@]12CCN(C(=O)Nc1ccc(F)cc1)C2 96227231 NUAYAEQATSKKPW-XLIONFOSSA-N 371.387 3.847 0 40 FHAB O=C(Cc1ccco1)N1CCOC[C@H]1c1csc(-c2ccccc2)n1 96218823 TWICQHUBVZGPNQ-KRWDZBQOSA-N 354.431 3.546 0 40 FHAB COc1ccc(-c2ccc(C)c(NC(=O)N3CCOCC4(CC4)C3)c2)cn1 582738061 UYXCNURIOCCLLK-UHFFFAOYSA-N 367.449 3.710 0 40 FHAB Cc1ccccc1-c1ccc(N2CCC(NC(=O)OC(C)(C)C)CC2)nn1 98211191 HAJPYWCSYXHOTF-UHFFFAOYSA-N 368.481 3.946 0 40 FHAB COC(C)(C)C(=O)N1CCC[C@H]1c1ccnc(Nc2cccc(C)n2)c1 257239886 HRGFNYIBQRAMGP-INIZCTEOSA-N 354.454 3.617 0 40 FHAB C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NC3CCNCC3)c1O)OC2(C)C 257336663 YPKPIGVMLGZLFI-KBRIMQKVSA-N 372.509 3.565 0 40 FHAB C[C@]1(Cc2cccc3ccccc23)CCCN1C(=O)c1csc(CN)n1 662936926 NIUDMBRBDYRMFZ-OAQYLSRUSA-N 365.502 3.992 0 40 FHAB C[C@H]1c2cc(C(=O)Nc3ccc(C4(C(=O)O)CC4)cc3)ccc2O[C@@H]1C 1776669572 MLGWLNBKPJYWRM-CHWSQXEVSA-N 351.402 3.940 0 40 FHAB Cc1cnn(CC2CC2)c1NC(=O)[C@H]1CCN(c2ccccc2Cl)C1 1324046436 FYWZRZROMJLQCT-HNNXBMFYSA-N 358.873 3.720 0 40 FHAB Fc1ccc(CN2CC3(C[C@@H](OCc4ccccn4)CS3)C2)cc1F 585105456 WYAQKQSYWKBHQV-MRXNPFEDSA-N 362.445 3.637 0 40 FHAB Cc1cccc(CN2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)c1 1615126969 BPEATXKZYMAIRQ-JOCHJYFZSA-N 368.452 3.532 0 40 FHAB CO[C@H]1OC[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]1SCc1ccccc1 5048030 WQVNBEOWEQNGAD-XDNAFOTISA-N 350.480 3.736 0 40 FHAB O=C(CSc1nc(-c2cccnc2)n[nH]1)Nc1cccc2ccccc12 5528455 FVQKRRZVLYEHAM-UHFFFAOYSA-N 361.430 3.751 0 40 FHAB CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(F)cc1 14081542 MZGWZEBIBWLKHV-UHFFFAOYSA-N 356.426 3.835 0 40 FHAB CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccc(Br)cc2)c1 14391585 IMWIAFJYDNBPNA-NSHDSACASA-N 361.239 3.899 0 40 FHAB Cc1cccc([C@@H]2CN(Cc3ccccc3F)C[C@]23CCCCC(=O)N3)n1 19236389 ZUHKBUMBPPMLHJ-PGRDOPGGSA-N 367.468 3.558 0 40 FHAB COc1ccc(CN2CCC(c3cc4ncc(C)nc4[nH]3)CC2)cc1OC 19239390 ZZYOUBQCQLOGQK-UHFFFAOYSA-N 366.465 3.663 0 40 FHAB CC[C@H](C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1)n1nc(C)cc1C 19499371 ZPSSBVZSDODWNK-YLJYHZDGSA-N 373.472 3.908 0 40 FHAB CCN(CC)C(=O)[C@H]1CCCN(C(=S)Nc2ccc(Cl)cc2)C1 19691450 AFVBJIOCVGFAJV-ZDUSSCGKSA-N 353.919 3.617 0 40 FHAB COc1ccc(-c2c(C)s/c(=N\C(=O)c3cccc(F)c3)n2C)cc1 8332468 XQCPSSKNYLHPGU-VZCXRCSSSA-N 356.422 3.951 0 40 FHAB Cc1nn(C(C)C)cc1C(=O)NCc1c(C(=O)O)sc2ccccc12 656234589 COCIUTCQLWGJMA-UHFFFAOYSA-N 357.435 3.615 0 40 FHAB COc1ccc(NC(=O)CSCC(=O)Nc2cccc(Cl)c2)cc1 1980695 JWEIJNUWDAMVLH-UHFFFAOYSA-N 364.854 3.659 0 40 FHAB Cc1ccc2nc(N(CCN(C)C)C(=O)Cc3ccccc3)sc2c1 5115041 SBCPFBJPSMBAAX-UHFFFAOYSA-N 353.491 3.742 0 40 FHAB COc1ccc(C)cc1NC(=O)c1cccn(Cc2ccc(F)cc2)c1=O 5269028 XFEPKBVIZDBYJW-UHFFFAOYSA-N 366.392 3.605 0 40 FHAB O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2 9037638 NZSJPMLFXGNXKE-UHFFFAOYSA-N 368.864 3.816 0 40 FHAB CCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1SCC 10256129 DJVHEOFZZMYGHX-KRWDZBQOSA-N 354.475 3.506 0 40 FHAB O=C(CCc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NC1CC1 16849173 IBZZGVTXLMFFOX-UHFFFAOYSA-N 364.858 3.652 0 40 FHAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cccc2ccccc12 22465802 ASMUQQLGNFBZJV-IBGZPJMESA-N 366.486 3.705 0 40 FHAB O=C(Cc1cccnc1)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1890023593 WADKKZMQLFYCLG-UHFFFAOYSA-N 366.852 3.627 0 40 FHAB COc1cc(NS(=O)(=O)c2ccc(C)c3ccccc23)cc(OC)c1 12291339 RTOIPJPZEXTCOA-UHFFFAOYSA-N 357.431 3.966 0 40 FHAB CN(C)C(=O)N1CCN(c2cc(-c3ccccc3)c3ccccc3n2)CC1 40091215 XLYYQWLGDGCZRY-UHFFFAOYSA-N 360.461 3.705 0 40 FHAB O=C(N[C@@H]1CCC[C@H](OCC(F)(F)F)C1)c1ccc2ccccc2n1 40080964 ZMBCXXYXCHCUOO-KGLIPLIRSA-N 352.356 3.855 0 40 FHAB CC[C@@](C)(CNC(=O)c1ccccc1-c1ccccc1)N1CCOCC1 40117715 DSMVHKNTYMEEFY-QFIPXVFZSA-N 352.478 3.584 0 40 FHAB CCSc1nc2n(n1)[C@H](c1ccc(O)c(OC)c1)C1=C(O)CCCC1=N2 102660903 PHYWJCCAEPAINU-MRXNPFEDSA-N 372.450 3.776 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H](Sc1nncn1C)c1ccccc1 2646789 AVXGMQHUNHCGJN-KRWDZBQOSA-N 368.462 3.686 0 40 FHAB COc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cn1 17960327 WJCAJQCEALMFFB-UHFFFAOYSA-N 353.447 3.720 0 40 FHAB CC[C@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3ccccc3)N2C1=O 2463448 YGJKUQALZSSWTA-GDBMZVCRSA-N 358.463 3.677 0 40 FHAB CCCn1c(CCCNC(=O)c2ccccc2OC)nc2ccccc21 2721490 USPSJRYTPSWHJR-UHFFFAOYSA-N 351.450 3.818 0 40 FHAB O=C(CSc1nc(=O)cc(O)n1C1CCCC1)c1ccc2c(c1)CCC2 103038973 FQSIQJXRSVNOLQ-UHFFFAOYSA-N 370.474 3.528 0 40 FHAB C[C@@H](NC(=O)Nc1ccccc1N1CCc2sccc2C1)[C@@H]1CCCO1 46971870 KGVRIDWCVNBBER-KDOFPFPSSA-N 371.506 4.000 0 40 FHAB Cc1ccc(C)c(-n2nnnc2SCC(=O)c2cc(C)sc2C)c1 7828509 MDQSKMKWNLGXLV-UHFFFAOYSA-N 358.492 3.932 0 40 FHAB O=C(N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1)N1CCCCCC1 646282 NFMXCTYYFBTQOB-OAHLLOKOSA-N 364.751 3.913 0 40 FHAB Cc1cccc(NC(=O)/C=C/c2c(C)nn(CC(C)C)c2Cl)c1C(N)=O 84213285 WCRPWAZSFDLALJ-CMDGGOBGSA-N 374.872 3.560 0 40 FHAB Cc1noc(C)c1COc1ccccc1C(=O)NCCc1ccc(F)cc1 22624095 QZKGTBHBJJJEPX-UHFFFAOYSA-N 368.408 3.982 0 40 FHAB COc1ccc(N[C@H](C(=O)NC2CC2)c2ccccc2)cc1OC(F)F 22766101 VCWVEDGTTJXAKQ-KRWDZBQOSA-N 362.376 3.728 0 40 FHAB CC[C@H](Nc1ccc(NC(=O)c2ccco2)cc1)C(=O)Nc1cc(C)on1 22977436 GDJBLOSFVWMCHD-HNNXBMFYSA-N 368.393 3.658 0 40 FHAB O=c1c(-c2ccccc2)coc2c3c(ccc12)OCN(C[C@H]1CCCO1)C3 54313257 ULZDNCGTQCNNPW-MRXNPFEDSA-N 363.413 3.791 0 40 FHAB biogenic COc1ccccc1[C@@H](CNC(=O)c1ccc(OC(C)C)cc1)N(C)C 23691899 PBZJIBLCCWOAAX-LJQANCHMSA-N 356.466 3.515 0 40 FHAB biogenic FC(F)(F)c1nnc2ccc(N(Cc3ccco3)Cc3ccco3)nn12 23619641 YSOCAPDENFVNEE-UHFFFAOYSA-N 363.299 3.536 0 40 FHAB O=C(Cc1coc(-c2ccccc2)n1)Nc1ccnn1Cc1ccccc1 53176757 MMMLCLOEAPGWCP-UHFFFAOYSA-N 358.401 3.768 0 40 FHAB C[C@@H](NC(=O)[C@H]1COc2ccc(Cl)cc2C1)c1nc2ccccc2[nH]1 24991697 RJXZQIKIFUMGQX-DGCLKSJQSA-N 355.825 3.645 0 40 FHAB O=c1c2cc(NCc3ccccc3C(F)(F)F)ccc2nc2n1CCC2 55844208 QQADLTLDPHWTCG-UHFFFAOYSA-N 359.351 3.974 0 40 FHAB Cc1c(C(=O)N2CCC(C(=O)NC3CC3)CC2)oc2ccc(Cl)cc12 56005073 KEVGNHKIFZGOCD-UHFFFAOYSA-N 360.841 3.525 0 40 FHAB CSCC[C@@H]1NC(=S)N([C@@H](C)c2ccccc2C(F)(F)F)C1=O 58377656 QVZWGEQGDDIRBH-CABZTGNLSA-N 362.442 3.605 0 40 FHAB COc1ccc(CCNC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1 44017567 PCPHFCUDYVNANS-UHFFFAOYSA-N 369.465 3.588 0 40 FHAB O=C(C1CCN(C(=S)Nc2ccc3ccccc3c2)CC1)N1CCCC1 44071910 MNUNSXBLWRMPGD-UHFFFAOYSA-N 367.518 3.871 0 40 FHAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](CC(C)C)[C@H]3C2=O)cc1 101073435 ZUPSITHYXMCPQV-AQNXPRMDSA-N 364.445 3.720 0 40 FHAB COc1c(C)cnc(CN(C)C(=O)N[C@H](C)c2sc(C)nc2C)c1C 57616936 MEWIPIORHJDHKI-CYBMUJFWSA-N 362.499 3.683 0 40 FHAB Cc1ccc(Nc2nc(N)nc(CN3CCC[C@H]3c3cccs3)n2)cc1 58160641 ZRYVPRYLYAVMQF-HNNXBMFYSA-N 366.494 3.904 0 40 FHAB Cn1cnnc1Sc1ccc(NC(=O)CCc2cc(F)ccc2F)cc1 58193495 ZVEDBUCYZJZNOK-UHFFFAOYSA-N 374.416 3.816 0 40 FHAB Cc1ccccc1Cc1nnc2sc([C@H]3COc4ccccc4O3)nn12 2182924 IRRVUCJJYIFLHN-MRXNPFEDSA-N 364.430 3.598 0 40 FHAB CCOc1ccc2nc(SCC(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 3324813 ZXIZXUSUZSGEMN-UHFFFAOYSA-N 370.430 3.708 0 40 FHAB COC(=O)c1ccc(NC(=O)[C@@]2(c3ccccc3)CC2(Cl)Cl)cc1 2202034 YJQVSDHAZZUCHQ-KRWDZBQOSA-N 364.228 3.927 0 40 FHAB O=C(CCOc1cccc(F)c1)NC1CCN(Cc2ccc(F)cc2)CC1 58531825 BXUDEUPXACNIRO-UHFFFAOYSA-N 374.431 3.515 0 40 FHAB CCCCOc1ccccc1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 28289199 OXBFEAWDUIVZLG-ZDUSSCGKSA-N 354.406 3.837 0 40 FHAB Cc1ccc(C(=O)OCC(=O)NCc2ccccc2C(F)(F)F)s1 72334004 GXCDUVHCNNJBCB-UHFFFAOYSA-N 357.353 3.549 0 40 FHAB C[C@@H](C(=O)Nc1ccccc1F)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12781719 ABCKSCSMIUHJDE-JKSUJKDBSA-N 369.440 3.503 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)NCCc1cnn(-c2ccccc2)c1 11531710 LTCJONGCGMESOC-UHFFFAOYSA-N 358.445 3.645 0 40 FHAB COc1ccc(Cl)cc1C(=O)OCC(=O)c1[nH]c(C)c(C(C)=O)c1C 3512907 HSTNAIODSBSUQC-UHFFFAOYSA-N 363.797 3.536 0 40 FHAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)[C@@H]2CCCc3ccccc32)c1 12948579 LHDFIHZWTWFTPG-LJQANCHMSA-N 350.462 3.820 0 40 FHAB Cc1ccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)c(F)c1 12985539 HKJDQZQBLJLPLV-UHFFFAOYSA-N 358.457 3.795 0 40 FHAB C[C@@H]1CCCN(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)C1 13123798 WRTCISIIQXKECH-GFCCVEGCSA-N 356.451 3.569 0 40 FHAB C[C@H]1Sc2ccc(C(=O)OCc3cc(-c4ccco4)on3)cc2NC1=O 18492239 LJUKLFHDWYBFHN-SNVBAGLBSA-N 370.386 3.724 0 40 FHAB Cc1c(C(=O)O)c2cc(OCC(=O)O)ccc2n1-c1ccc(Cl)cc1 38824486 MSJNKDFYIJCKCY-UHFFFAOYSA-N 359.765 3.754 0 40 FHAB CCCCN1C(=O)[C@@](O)(c2ccccc2)c2cc(Br)ccc21 4108720 FGIPKQMWOUMGRH-GOSISDBHSA-N 360.251 3.832 0 40 FHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2c(C)ccc(C)c2s1 5241025 IAXZVKIYQRAOOO-UHFFFAOYSA-N 374.487 3.959 0 40 FHAB Cc1cccc(NC(=O)CSCC(=O)N[C@@H]2CCCc3ccccc32)c1 6433880 SBSMUCWBLCSLAL-LJQANCHMSA-N 368.502 3.861 0 40 FHAB Cc1cc(C)c([C@H](C)NC(=O)CSc2nnc3ccccn23)cc1C 14108610 CYAONTVADOIUEH-HNNXBMFYSA-N 354.479 3.624 0 40 FHAB COc1ccc(/C=C/C(=O)NCCn2c(C)cc3ccccc32)cc1OC 4800987 YHSHNVSFZSPPTP-PKNBQFBNSA-N 364.445 3.797 0 40 FHAB CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1 6888321 AGSVJAJLYICICM-UHFFFAOYSA-N 366.870 3.623 0 40 FHAB COc1cc(NC(=O)CNc2ccc(F)cc2Cl)cc(OC)c1OC 15293139 BOBYQFXIEMKGAY-UHFFFAOYSA-N 368.792 3.556 0 40 FHAB Cc1cccc(-n2c(=O)c3sccc3n(Cc3ccccc3F)c2=O)c1 67258137 NOCHGTGLKWDJAJ-UHFFFAOYSA-N 366.417 3.710 0 40 FHAB O=S(=O)(Nc1ccccc1N1CCCCC1)c1ccc2c(c1)CCC2 7056762 CQCBIZJLHJOZQS-UHFFFAOYSA-N 356.491 3.966 0 40 FHAB O=C(COc1cccc(N2CCCC2=O)c1)Nc1ccc(F)c(Cl)c1 7063586 JCHZDSLHXHALLY-UHFFFAOYSA-N 362.788 3.623 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(N2CCCC2=O)cc1 15573857 XMYJVCNMASUVPI-UHFFFAOYSA-N 358.825 3.793 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)Cc1ccc(Cl)cc1 7482310 RNQVDGUYAYSCHF-OAHLLOKOSA-N 359.853 3.563 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N(C)CC(=O)Nc1cccc(F)c1 8093686 VUIGYOAAJMFQIA-AWEZNQCLSA-N 367.424 3.757 0 40 FHAB COc1ccc2nc(S[C@@H](C(=O)NC3CC3)c3ccccc3)[nH]c2c1 8134701 GBZACDZTVUQRHZ-QGZVFWFLSA-N 353.447 3.684 0 40 FHAB COc1ccccc1N1CN(C2CCCCC2)Cn2c1nc(C)c(C)c2=O 95481444 TZYAJFFTMIRNMC-UHFFFAOYSA-N 368.481 3.570 0 40 FHAB O=C1CCSc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2N1 20578628 LYKUKTNDPHRPEW-UHFFFAOYSA-N 368.867 3.575 0 40 FHAB O=C(O)C[C@H](NC(=O)[C@H]1C[C@H]1c1ccco1)c1ccc(Cl)c(F)c1 95464060 HHLYIOPEBALTDZ-SUNKGSAMSA-N 351.761 3.508 0 40 FHAB O=C(Nc1cnn(-c2ccccc2F)c1)c1ccc(Br)o1 88232346 RAEAFNLYKLUMLZ-UHFFFAOYSA-N 350.147 3.619 0 40 FHAB COc1ccc(OC)c(NC(=O)COc2cccc(OCC(C)C)c2)c1 89856409 AWJWJSZJYMDFJJ-UHFFFAOYSA-N 359.422 3.756 0 40 FHAB O=Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3F)cc2)o1 409177198 DEXJBGBSYYWSSG-UHFFFAOYSA-N 367.332 3.694 0 40 FHAB Cc1cccc(NC(=O)CSCc2cc(=O)n3cc(Cl)ccc3n2)c1 33026797 GCLQOCOQPSEXOD-UHFFFAOYSA-N 373.865 3.528 0 40 FHAB O=C(O)c1cccc(Cl)c1CN1CCC(OC[C@@H]2CCCCO2)CC1 515660179 PVZFLJOJWRXIDM-HNNXBMFYSA-N 367.873 3.588 0 40 FHAB Cc1cc(NC(=O)N=c2[nH][nH]cc2C(C)C)cnc1N1CCCC[C@H]1C 520977644 NYKASMPZVVQWPZ-CQSZACIVSA-N 356.474 3.681 0 40 FHAB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2F)SC1=S 35040336 OWMQVEWJZKQCLW-FMNNIJNLSA-N 353.440 3.526 0 40 FHAB Cc1ncc(CO)c2c1Oc1nc(-c3ccccc3Cl)nc(S)c1C2 6785008 NYWHXNLSWMHGBU-UHFFFAOYSA-N 371.849 3.978 0 40 FHAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(CCC(=O)O)cc1 72602000 VLADCWMSGNSBOT-UHFFFAOYSA-N 361.463 3.629 0 40 FHAB Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)n(Cc2ccccc2)n1 32610520 BEXDKQSNXNMMCD-UHFFFAOYSA-N 361.854 3.694 0 40 FHAB CCCN1CCC[C@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 72216404 FSTUIIBEZZWSAD-SFHVURJKSA-N 374.529 3.686 0 40 FHAB CCc1noc(-c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)n1 33012619 OHRWDBGECNVXGO-UHFFFAOYSA-N 351.406 3.933 0 40 FHAB CC[C@H](Oc1ccccc1C)C(=O)NCc1nc(-c2cccc(C)c2)no1 219315444 OQRZWEPHVJZVHD-KRWDZBQOSA-N 365.433 3.827 0 40 FHAB O=C(Cn1cnc2sccc2c1=O)c1ccc2c(c1)Cc1ccccc1-2 48365359 VJJILZILLMIWOD-UHFFFAOYSA-N 358.422 3.912 0 40 FHAB COc1cc(C)c(S(=O)(=O)Nc2nnc(SC)s2)cc1C(C)C 225293772 ZLASQZWZEMTXFE-UHFFFAOYSA-N 373.525 3.501 0 40 FHAB COc1ccc(OC)c(CNC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c1 46729215 NTKSAZVHWSQCHX-UHFFFAOYSA-N 371.824 3.677 0 40 FHAB O=C(CCSc1nncs1)Nc1ccc(Br)cc1F 40025052 SDWNEJJVSBLISB-UHFFFAOYSA-N 362.249 3.561 0 40 FHAB CCOC(=O)c1ccc(NC(=S)NCc2ccccc2OC)c(C)c1 225313092 VJRPQSNHTSCABO-UHFFFAOYSA-N 358.463 3.667 0 40 FHAB CC1(C)CCc2cc(S(=O)(=O)Nc3c(F)cccc3F)ccc2O1 223663963 YSDFICDRAUXCJG-UHFFFAOYSA-N 353.390 3.869 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=S)NCc2cccc(OC)c2)c1 225834586 OURCRMDZMOAAGO-UHFFFAOYSA-N 364.854 3.622 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)CSCc1ccccc1F 222702876 CHHOAVCLMZBOPA-UHFFFAOYSA-N 360.454 3.837 0 40 FHAB CCc1ccc(OCC(=O)Nc2c(C)cc3nc(NN)sc3c2C)cc1 45890109 VNMFTFUUCDUXFJ-UHFFFAOYSA-N 370.478 3.779 0 40 FHAB CSc1ccc(-c2noc(-c3nn(-c4ccccc4)ccc3=O)n2)cc1 49006313 XWGXEUVEKSVNJA-UHFFFAOYSA-N 362.414 3.671 0 40 FHAB C[C@H]1CN([C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@H](C)O1 195547070 WNDMBVYJDCWGJH-OKZBNKHCSA-N 368.477 3.702 0 40 FHAB Cc1ccccc1OC[C@H](C)NC(=O)COc1cccc2c1CCCC2 225268005 JGWOHLNDYPFXMC-KRWDZBQOSA-N 353.462 3.836 0 40 FHAB CCCC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NCC 223176957 UBNFQPRXGDFQDB-OAQYLSRUSA-N 366.505 3.871 0 40 FHAB COc1cccc(NC(=S)NCCCN2c3ccccc3C[C@@H]2C)c1 225739170 UTSHGLIYEDJZJU-HNNXBMFYSA-N 355.507 3.823 0 40 FHAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C)COc3ccccc3)cc2)n1 149733742 AEDXRDUGKZXIHI-KRWDZBQOSA-N 363.461 3.746 0 40 FHAB O=C(Cc1ccsc1)N1C[C@H]2CCC[C@@]2(COCc2ccccn2)C1 96109348 LVJVIZBAGLKJQZ-XLIONFOSSA-N 356.491 3.531 0 40 FHAB COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C)cc3C)CC2)cc1 243356840 LYBFWDZOACZOAN-UHFFFAOYSA-N 366.461 3.803 0 40 FHAB COC[C@H]1CN(Cc2cccs2)CC12CCN(Cc1ccccn1)CC2 247846080 MRCNLDJJBTYBNH-GOSISDBHSA-N 371.550 3.504 0 40 FHAB Cc1cccc(Nc2nccnc2[C@@H]2CCCN(Cc3cncs3)C2)n1 257252442 JUTYSRSENCJAKD-OAHLLOKOSA-N 366.494 3.760 0 40 FHAB CC1(C)CC2(CCN(CC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)CO1 257272892 NEGILKLGWCHJPP-UHFFFAOYSA-N 370.415 3.925 0 40 FHAB COc1ccc2nc(OC3CN(C(=O)c4cccc(Cl)c4)C3)sc2c1 90608030 MNIAXSPGGITURN-UHFFFAOYSA-N 374.849 3.862 0 40 FHAB Cc1ccncc1CC(=O)Nc1c(N2CCCC2)cccc1N1CCCC1 622794544 FFZGSRQEPRXGFV-UHFFFAOYSA-N 364.493 3.772 0 40 FHAB NCC1(c2ccc(-c3cc(Cn4cccn4)ccc3F)cc2)CCOCC1 629708627 JCKBLPCBDDGLAT-UHFFFAOYSA-N 365.452 3.744 0 40 FHAB O=C(C1CC(c2ccc(F)cc2)C1)N1CC[C@@H](OCc2ccccn2)C1 645781584 YRJVYXGSMFZTTM-LBXVMSDZSA-N 354.425 3.532 0 40 FHAB COCCn1cc(C(=O)Nc2ccccc2-n2cccn2)c2ccccc21 57432775 ZSOWDVDSHWJEQB-UHFFFAOYSA-N 360.417 3.726 0 40 FHAB O=C(Nc1ccn(CCc2ccncc2)n1)C1(c2cccc(F)c2)CCC1 58224120 BYGNCRHVFOZWBS-UHFFFAOYSA-N 364.424 3.720 0 40 FHAB Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CCN(Cc3ncc[nH]3)C2)n1 72374797 NYOBJHMZFTZWKU-GOSISDBHSA-N 350.441 3.833 0 40 FHAB Cc1nc(SCc2cc(=O)n3ccsc3n2)c2c(C)c(C)sc2n1 5428794 YIEDCSLVYCUJJH-UHFFFAOYSA-N 374.516 3.978 0 40 FHAB CCC[C@@H](NC(=O)c1csc(C(C)=O)c1)c1ccc2c(c1)OCCO2 12205445 ZTNWVOIZNWTDNG-OAHLLOKOSA-N 359.447 3.993 0 40 FHAB CCC(=O)N1N=C(c2ccc(F)cc2)Sc2c1nc(CC)n2C(=O)CC 16777735 NEQLFKFTKHNXQZ-UHFFFAOYSA-N 374.441 3.845 0 40 FHAB C[C@H]1C[C@H]1C(=O)N1CCC(c2nc3ccccn3c2NC(C)(C)C)CC1 19462807 IMPPOBNSPPUYNM-GOEBONIOSA-N 354.498 3.907 0 40 FHAB CCc1cc(C(=O)Nc2n[nH]c(CC3CCCCC3)n2)c2c(C)noc2n1 19663347 UEQKQADTQGZKFS-UHFFFAOYSA-N 368.441 3.587 0 40 FHAB CCOc1ccccc1/C=C/C(=O)N(C)CC(=O)Nc1c(C)cccc1C 8312332 ACIKJQJGEJAMAB-BUHFOSPRSA-N 366.461 3.812 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 15992949 FBMVQZPNEIUYKC-YOEHRIQHSA-N 361.463 3.562 0 40 FHAB Cn1cnc2ccc(NC(=O)c3cnn4c(-c5ccccc5)ccnc34)cc21 19717287 MCYNWQYYDRDXBL-UHFFFAOYSA-N 368.400 3.535 0 40 FHAB COc1ccccc1C1(C(=O)NC2(c3cccs3)CCOCC2)CC1 390827708 JHPTYRMJEXUUNS-UHFFFAOYSA-N 357.475 3.610 0 40 FHAB CO[C@@]1(COc2ccccc2)CCCN(C(=O)Cc2cccc(Cl)c2)C1 2037909373 YPRBHZDVGNLNMH-NRFANRHFSA-N 373.880 3.969 0 40 FHAB CCc1ccc(C(=O)N2CCC[C@@](O)(COc3ccc(C)c(C)c3)C2)cc1 2037913188 YCYQJVDKKXPGNG-QHCPKHFHSA-N 367.489 3.912 0 40 FHAB Cc1ccc(C(=O)N2CCC3(CCN(Cc4cccnc4)CC3)CC2)o1 1565555357 YGRPFBVERONLJH-UHFFFAOYSA-N 353.466 3.501 0 40 FHAB Cc1ccc(-c2ccc(SCC(=O)Nc3nccs3)nn2)c(C)c1 5411038 ZMHPFNIHCURNGI-UHFFFAOYSA-N 356.476 3.948 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)cc1 8840834 OJXITRGUAJQZFC-UHFFFAOYSA-N 372.490 3.731 0 40 FHAB CN(c1ncc(Cl)cn1)C1CCN(c2ccc(C(F)(F)F)nc2)CC1 2086861234 XBFBYJWYYNZCDY-UHFFFAOYSA-N 371.794 3.649 0 40 FHAB Cc1ccccc1-c1noc(CN(C)CC(=O)Nc2cccc(C)c2C)n1 31300336 MTTUWVLFACSALG-UHFFFAOYSA-N 364.449 3.732 0 40 FHAB Cc1ccc(C(=O)C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 31959704 CCGCIQCZVHMDDT-UHFFFAOYSA-N 371.458 3.533 0 40 FHAB COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(C)nn32)cc1OC 101956029 ZLSWYQZXLIBISB-GOSISDBHSA-N 368.437 3.911 0 40 FHAB O=C(Cn1c(=O)oc2ccccc21)OCc1cc2ccccc2nc1Cl 21339482 RGEKJBVBDWNCME-UHFFFAOYSA-N 368.776 3.540 0 40 FHAB COc1ccccc1NC(=O)[C@@H](C)N1CC=C(c2ccc(O)cc2)CC1 32851107 FGTHAJYVNUJOCH-OAHLLOKOSA-N 352.434 3.517 0 40 FHAB CCn1c(SCC(=O)Nc2ccccc2Cl)nc2ccccc2c1=O 905586 DNJLXPFLBLSHRE-UHFFFAOYSA-N 373.865 3.801 0 40 FHAB CC1=C(C(=O)N(C)c2ccc(Cl)c(C(=O)OC(C)C)c2)SCCO1 1622711 ANQVCFBUWJYKTI-UHFFFAOYSA-N 369.870 3.863 0 40 FHAB O=C1O[C@@H](CCN2CCCCC2)OC1(c1ccccc1)c1ccccc1 2017397 DXSUDONPFZKWOO-HXUWFJFHSA-N 351.446 3.706 0 40 FHAB in-man CN(C)C(=O)c1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1 3556884 XDWIJNZUIGJLAN-UHFFFAOYSA-N 367.232 3.713 0 40 FHAB CCOC(=O)N1CCN(CCCCCOc2ccc(Cl)cc2)CC1 4429340 KOJKMCSFNZACSF-UHFFFAOYSA-N 354.878 3.663 0 40 FHAB Cc1cc(C(=O)COc2ncnc3sccc23)c(C)n1-c1nccs1 6646548 PHYXZAWPZDDRLC-UHFFFAOYSA-N 370.459 3.817 0 40 FHAB CCOC(=O)c1cc(OC(=O)c2cccc(C)c2)n(-c2ccccc2)n1 6721338 BMSLGDZNCSVBGB-UHFFFAOYSA-N 350.374 3.577 0 40 FHAB COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCC(O)CC2)n1 602269 ZQUSFAUAYSEREK-UHFFFAOYSA-N 368.412 3.631 0 40 FHAB in-vivo COc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1OC 7849955 DIJZVDXRVQXUEI-UHFFFAOYSA-N 368.477 3.620 0 40 FHAB Cc1nc(-c2ccccc2NC(=O)[C@@H]2CSc3ccccc3O2)no1 84281575 WJORATYQNBKOIZ-HNNXBMFYSA-N 353.403 3.537 0 40 FHAB Cc1nc(-c2ccccc2F)sc1C(=O)NCCCCCC(=O)O 12408331 BLRMKHJPJGWRNV-UHFFFAOYSA-N 350.415 3.632 0 40 FHAB O=S(=O)(c1ccccc1)[C@H]1[C@H]2c3ccccc3[C@@H](O)[C@H]1c1ccccc12 104091248 SBOBQHDNOZJZQP-YSFYHYPLSA-N 362.450 3.805 0 40 FHAB CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 55648261 XMKLRMRNEXMQSI-UHFFFAOYSA-N 360.479 3.714 0 40 FHAB O=C(Nc1ccc(-n2cnc(Cl)c2Cl)nc1)c1cccc(F)c1 61720919 UIKYCCBVPZDCGQ-UHFFFAOYSA-N 351.168 3.966 0 40 FHAB O=C(CC[C@H]1Cc2ccccc2NC1=O)OCc1nc2ccccc2s1 24362591 HKZPVTKBRNAMPU-AWEZNQCLSA-N 366.442 3.931 0 40 FHAB O=c1[nH]c2ccccc2n1CCCSc1ccc(C(F)(F)F)cn1 12522817 KRNKYNUVVRLKQM-UHFFFAOYSA-N 353.369 3.926 0 40 FHAB CC(=O)c1ccccc1OCCOC(=O)c1c[nH]nc1-c1ccccc1 24753445 SCAKYXDONOFZHQ-UHFFFAOYSA-N 350.374 3.515 0 40 FHAB Cc1cc(S(=O)(=O)Nc2cc(NC(=O)C3CC3)ccc2C)c(C)s1 55595477 QCRYZHHQBYFMPU-UHFFFAOYSA-N 364.492 3.823 0 40 FHAB CCN(CC)c1ccc(NC(=O)[C@@H]2CC(c3ccc(OC)cc3)=NO2)cc1 54979092 PCMVOFMLFBUFKR-FQEVSTJZSA-N 367.449 3.673 0 40 FHAB O=C1C[C@@]2(CC[C@H]3[C@@H](C(=O)NC4CCCC4)[C@@H]32)Oc2ccc(Cl)cc21 100123848 UESWYPBEAXCAOH-DOFJYSBOSA-N 359.853 3.759 0 40 FHAB COc1cccc(C(=O)NC[C@H](c2ccc(C)o2)N2CCC(C)CC2)c1 21659759 QEXLXXFQISXFDJ-LJQANCHMSA-N 356.466 3.800 0 40 FHAB C[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)C(N)=O 3399812 IPCWPQLRIAXBKS-LLVKDONJSA-N 358.854 3.554 0 40 FHAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CCCNC(=O)c1ccco1 44685453 AUEMVFIDVCPDGN-OAHLLOKOSA-N 358.438 3.521 0 40 FHAB CC(=O)c1cccc(NC(=O)COC(=O)c2cccc(Cl)c2Cl)c1 3369531 VZXDYQXYNVNYST-UHFFFAOYSA-N 366.200 3.992 0 40 FHAB Cc1ccc(-c2nc(C)c(C(=O)N(C)C3CCN(C)CC3)s2)c(C)c1 58227177 FXGYUQSJMXUYLS-UHFFFAOYSA-N 357.523 3.902 0 40 FHAB CCOc1ccc(Cl)cc1NC(=O)C[C@@H](NC(N)=O)c1cccs1 58277406 PLYDVMNCCSBYJN-GFCCVEGCSA-N 367.858 3.538 0 40 FHAB CCCn1c(=O)n(CCC(=O)Nc2cc(F)ccc2F)c2ccccc21 12750752 JGACBSKKIBANIG-UHFFFAOYSA-N 359.376 3.520 0 40 FHAB CC(C)Cc1nc2oc3c(N4CCOCC4)ncnc3c2c2c1CCCC2 2329666 BUYIWOKGKZLDSC-UHFFFAOYSA-N 366.465 3.685 0 40 FHAB O=C(Cc1ccccc1)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2 12858328 WHEQMUWKHJXKFW-UHFFFAOYSA-N 373.408 3.870 0 40 FHAB COC(=O)C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 59959763 BTENPUXRFGAWNL-OAHLLOKOSA-N 369.314 3.879 0 40 FHAB COc1ccc(C)cc1-c1csc(NC(=O)c2ccc3[nH]nnc3c2)n1 8778856 XMCQEAREYLPMFD-UHFFFAOYSA-N 365.418 3.651 0 40 FHAB CC[C@H](C)n1ncc2c(C)cc(OS(=O)(=O)c3ccc(C)cc3)nc21 8754305 PZGGQGYIHLCJOO-AWEZNQCLSA-N 359.451 3.787 0 40 FHAB COc1ccc(-c2cc3ccc(OC(=O)C4CC4)cc3oc2=O)c(OC)c1 4085225 PSULPYKCQKKQCW-UHFFFAOYSA-N 366.369 3.793 0 40 FHAB biogenic O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc2[nH]nnc2c1 8725254 CMFBNIRWMONUIW-UHFFFAOYSA-N 354.373 3.525 0 40 FHAB CCOc1ccc(N(C(C)=O)[C@H]2SC(=O)N(c3ccccc3)C2=O)cc1 4173942 YRKPGSGKJFDVQC-SFHVURJKSA-N 370.430 3.664 0 40 FHAB CCCc1cc(-c2nc(C)c(C(=O)NCc3ccccn3)s2)ccn1 13690788 XQPVTKXGGFEJCV-UHFFFAOYSA-N 352.463 3.791 0 40 FHAB O=C(c1coc(Br)c1)N1CCC(c2ccc(O)cc2)CC1 65476779 ZLTSHZQYGDOOPV-UHFFFAOYSA-N 350.212 3.768 0 40 FHAB CCOc1ccc(/C=C/C(=O)OCC(=O)c2ccccc2OC)cc1OC 5367075 CASLLSDRUNCGSQ-ZRDIBKRKSA-N 370.401 3.542 0 40 FHAB CC1(C)CC(NC(=O)c2cnn(Cc3ccccc3Cl)c2)CC(C)(C)N1 14189878 GQWGWYRTPAMXFJ-UHFFFAOYSA-N 374.916 3.624 0 40 FHAB C[C@H]1C[C@H](C)CN(Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 6627109 JCDYJYAVTWCEQV-GJZGRUSLSA-N 353.491 3.901 0 40 FHAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)Nc1ccccn1 6671668 VGPYNRAXUBREGE-UHFFFAOYSA-N 372.380 3.873 0 40 FHAB biogenic Cc1ccc(C(C)C)cc1O[C@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 14632465 XOEWSOPBGSTJTO-HOTGVXAUSA-N 363.454 3.960 0 40 FHAB in-vitro COc1ccc([C@@H]2C[C@H](c3ccccc3)N(C(=O)C3CC3)c3ncnn32)cc1 4732763 OBLYGEKISSCDMH-UXHICEINSA-N 374.444 3.764 0 40 FHAB C[C@@H]1CCCC[C@@H]1N1C(=O)C(=O)N(Cc2c(Cl)cccc2Cl)C1=O 5788061 GSMDBLYNIBVAOO-YGRLFVJLSA-N 369.248 3.863 0 40 FHAB Cc1cc(OCC(=O)O[C@H](C)C(=O)N2CCc3ccccc32)ccc1Cl 5994193 VGAKAQNPKULVGG-CQSZACIVSA-N 373.836 3.548 0 40 FHAB CN(c1ccccc1)S(=O)(=O)c1c(F)cc(F)cc1Br 9051212 KSYPOZVPXFBNDA-UHFFFAOYSA-N 362.195 3.552 0 40 FHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cc(C)sc2C)c1 7667220 LXQFPKLPYHNRHY-UHFFFAOYSA-N 366.508 3.648 0 40 FHAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)c1ccc(F)cc1 7681192 MZFDVYQHSJXKKI-AWEZNQCLSA-N 357.429 3.806 0 40 FHAB CC(=O)N[C@@H](CC(=O)Nc1cccc(Br)c1)c1ccccc1 7609612 GXJDKNMFJUVCJZ-INIZCTEOSA-N 361.239 3.655 0 40 FHAB O=C(Nc1ccc2c(c1)CCC2)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 7802033 UFVDNVWBRXOUAX-QGZVFWFLSA-N 368.864 3.816 0 40 FHAB C[C@@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccccn1 8024695 FWPSPFKJRLIJOY-LLVKDONJSA-N 373.865 3.557 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)cc(C)c2C)c(Cl)c1 8105289 CUZKQCRSXZTOLQ-UHFFFAOYSA-N 353.827 3.764 0 40 FHAB COCCCN1C(=O)S/C(=C/c2cccn2-c2ccc(F)cc2)C1=O 409243734 XXVRIZOCNMGENI-FOWTUZBSSA-N 360.410 3.689 0 40 FHAB Cc1cc(Br)ccc1NC(=O)Cc1cn2ccsc2n1 9318317 QNHHWHLLXNMTPY-UHFFFAOYSA-N 350.241 3.648 0 40 FHAB CC(C)[C@@H]1C[C@](CC(=O)NCCCN(C)C)(Cc2ccccc2)CCO1 9486015 KYHWDEMTSLKBIC-RBBKRZOGSA-N 360.542 3.509 0 40 FHAB Cc1cccc(NC(=O)CNc2ccccc2[C@@H](O)C(F)(F)F)c1C 95464726 FWVMVQYKFVEFMZ-QGZVFWFLSA-N 352.356 3.950 0 40 FHAB CSc1nnc(SCC(=O)N[C@@H](C)c2cc3ccccc3o2)s1 9721850 AIOXRERZGQHLRE-VIFPVBQESA-N 365.505 3.976 0 40 FHAB C[C@@H](NC(=O)c1cc(-c2ccco2)[nH]n1)c1cccc(N2CCCC2)c1 88217795 MTRRDAZRSWYCKW-CQSZACIVSA-N 350.422 3.761 0 40 FHAB COC(=O)C[C@@H](NC(=O)CSCc1cccc(C)c1)c1ccccc1 89669557 BGMIPCATIJGNMW-GOSISDBHSA-N 357.475 3.649 0 40 FHAB c1ccc(-n2nnnc2SCc2ccc(OC[C@@H]3CCCO3)cc2)cc1 89857542 XUSNZWFPZQZUKU-SFHVURJKSA-N 368.462 3.512 0 40 FHAB COc1ccc(CC(=O)Sc2nnc(COc3ccccc3)o2)cc1 408619860 IAVYWLTYLIKUBY-UHFFFAOYSA-N 356.403 3.519 0 40 FHAB c1cncc(CN2C[C@]3(CCN(Cc4cccs4)C3)c3ncccc32)c1 306143852 YOLYAIIYTKPALH-OAQYLSRUSA-N 362.502 3.702 0 40 FHAB O=C(c1cnccc1Oc1ccccc1)N1CCN(Cc2ccccc2)CC1 500017838 VODAEPWDKADQIU-UHFFFAOYSA-N 373.456 3.832 0 40 FHAB O=C(CSc1nc(Cc2ccccc2)n[nH]1)Nc1ccc(Cl)cc1 71233704 MMTFMFVTWKJYQE-UHFFFAOYSA-N 358.854 3.780 0 40 FHAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN1CCN(c2ccccc2)CC1 36047190 NGGKDTCGSHXTLI-FCJDFRRUSA-N 374.569 3.647 0 40 FHAB COc1cc(/C=C/C(=O)N2CCCC2)ccc1OCc1c(C)noc1C 32975578 TWRMBAHBZOTFFI-VQHVLOKHSA-N 356.422 3.515 0 40 FHAB Cc1ccccc1NC(=O)CSCc1cc(=O)c2cccc(F)c2[nH]1 33063824 FIZZOQQLIRGWEI-UHFFFAOYSA-N 356.422 3.848 0 40 FHAB O=C(CCSc1ccccc1)NC[C@](O)(c1ccccc1)C(F)(F)F 70762326 NXPVQOAQGLBWHD-KRWDZBQOSA-N 369.408 3.735 0 40 FHAB O=C(O)c1ccccc1NS(=O)(=O)c1cccc2cccc(Cl)c12 35685528 AGLPQVLOSKHRHI-UHFFFAOYSA-N 361.806 3.992 0 40 FHAB CCCc1nc(Nc2ccc(NC(C)=O)cc2)c2c(n1)c(C)nn2CC 226688320 QKJJDJQMTWXRPV-UHFFFAOYSA-N 352.442 3.809 0 40 FHAB COc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)c(OC)c1 46898427 OWPKQCPDSWHIQJ-UHFFFAOYSA-N 357.797 3.795 0 40 FHAB C[C@@]1(C(=O)NCCCc2ccccc2F)CC(c2cccc(F)c2)=NO1 223272651 TYPZMPPOIRBCFQ-FQEVSTJZSA-N 358.388 3.597 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 223770455 ABZVOCJOQVJXIR-MRXNPFEDSA-N 372.896 3.744 0 40 FHAB O=C(N1CCC2(CC1)OCCCO2)C1(c2ccc(Cl)cc2)CCCC1 75156645 KHRCAMOCXIUTQM-UHFFFAOYSA-N 363.885 3.907 0 40 FHAB CCOc1ccccc1-c1noc(-c2c[nH]c3ccc(F)cc3c2=O)n1 75352739 BFGDDAWUPZIMED-UHFFFAOYSA-N 351.337 3.783 0 40 FHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCCN(C)c1ccccc1 225285694 VUXXAKYMQPHXNN-GOSISDBHSA-N 366.505 3.975 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2ccc(N3CCCC[C@H]3C)c(N)c2)c1 226268605 WCBWGILGWHVVCD-CQSZACIVSA-N 369.465 3.917 0 40 FHAB Cc1nc(C)c(C(=O)N2CCC[C@H](c3nnc(-c4cccs4)o3)C2)s1 42379944 WIZYBUKKNQFBOX-LBPRGKRZSA-N 374.491 3.891 0 40 FHAB COc1cccc(-c2nnsc2C(=O)NCc2ccccc2Cl)c1 225764737 IEVKWPAGTQFZLA-UHFFFAOYSA-N 359.838 3.797 0 40 FHAB O=C(c1ccc2nc(O)n(C3CC3)c2c1)N1CCc2c(F)cc(F)cc2C1 612534073 RXVHKTFQDZJMDI-UHFFFAOYSA-N 369.371 3.554 0 40 FHAB CCN1CCN(Cc2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)CC1 40107966 CSAMUWFKWDJCNH-UHFFFAOYSA-N 362.477 3.558 0 40 FHAB COc1ccc(CCC(=O)NCc2cccc(CN3CCCC3)c2)cc1 46374931 ZPPIQFLYKSHPNC-UHFFFAOYSA-N 352.478 3.540 0 40 FHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)o1 223521076 JOSAHXPDEJZTME-QZTJIDSGSA-N 350.447 3.551 0 40 FHAB C[C@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccc2c(c1)OCCO2 222690043 GMYAZBGSNZKYBN-INIZCTEOSA-N 366.461 3.545 0 40 FHAB COc1ccc(C(=O)N2CCC(C(=O)NC3CCCCCCC3)CC2)cc1 223123574 ICPSFPFYBBKPOB-UHFFFAOYSA-N 372.509 3.777 0 40 FHAB O=C(C[C@@H]1CC2(CCN(CC3CC3)CC2)c2ccccc21)NC1CCC1 96052787 RYGIFRYXAFCIPU-GOSISDBHSA-N 352.522 3.976 0 40 FHAB Cc1cccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@H](c3ccco3)C2)c1 95115965 XNEQORJFEKNJDW-FQEVSTJZSA-N 365.477 3.998 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)Nc1n[nH]c(CCc2ccccc2)n1 96116542 NGHNLLZJTKTXLM-UHFFFAOYSA-N 359.433 3.643 0 40 FHAB biogenic CCc1ccccc1-n1nc(C(=O)O)c(N2CC[C@H](c3ccccc3)C2)n1 256046419 FTTJZEVGUSPQLF-KRWDZBQOSA-N 362.433 3.522 0 40 FHAB Cn1cnc(CN2CCC[C@H](c3nccnc3Oc3ccccc3F)C2)c1 257328710 XGUMQLANINEVJH-HNNXBMFYSA-N 367.428 3.521 0 40 FHAB CCCc1cc(NC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)n[nH]1 110848123 UONGDFYHHDJLLL-UHFFFAOYSA-N 364.405 3.506 0 40 FHAB CC(C)C[C@@H](C)n1nccc1NC(=O)Nc1ccn(C2CCOCC2)n1 666676812 AMDGBRCIBQSZJU-CQSZACIVSA-N 360.462 3.682 0 40 FHAB C[C@H](c1nc2ccccc2s1)N1CCN(Cc2cncc(F)c2)CC1 681749622 ZEHKZIDADICKLJ-CQSZACIVSA-N 356.470 3.709 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cc3sc(N(C)C)nc3s2)c1 54273111 HKAUYNAELXCGCE-UHFFFAOYSA-N 363.464 3.693 0 40 FHAB CCOc1ccc(CNC(=O)N[C@@H](C)c2sc(C)nc2C)cc1OC 57282970 LAAIBQZATKHVBN-LBPRGKRZSA-N 363.483 3.728 0 40 FHAB C[C@@H](NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1ccns1 1623820749 HMKNQIANOAHYJZ-GFCCVEGCSA-N 351.431 3.631 0 40 FHAB COc1ccc(-c2n[nH]cc2CN(Cc2sccc2C)C[C@@H](C)O)cc1 12147046 RZMPZJMLAGPTCD-OAHLLOKOSA-N 371.506 3.838 0 40 FHAB O=C(NCCc1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1 12480871 FQQFFOGXEDEMGB-GOSISDBHSA-N 371.868 3.695 0 40 FHAB Cc1cnccc1-c1cnc(NCCc2cnccn2)nc1-c1ccco1 12668190 RTAVHPRZUBYEHY-UHFFFAOYSA-N 358.405 3.552 0 40 FHAB O=C(NCc1ccccc1Cl)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 15513740 LIGGOULAXWZAAH-CYBMUJFWSA-N 363.244 3.663 0 40 FHAB COc1ccc(NC(=O)CSc2nc(N)c3c(C)c(C)sc3n2)cc1 16755264 ITOSETOZRIUQIT-UHFFFAOYSA-N 374.491 3.630 0 40 FHAB O=C(COc1ccccc1)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 17076199 JNPBCKUHKJGJLD-UHFFFAOYSA-N 372.380 3.505 0 40 FHAB O=C(COc1ccccc1Cl)NCCSCc1ccccc1F 17604179 VIZZNFBWJRSXPP-UHFFFAOYSA-N 353.846 3.908 0 40 FHAB CCOc1cc(C(N)=O)ccc1OCc1cccc(Br)c1 226326565 OMRZCMSKMUFZGT-UHFFFAOYSA-N 350.212 3.526 0 40 FHAB COc1ccccc1CN(C)CC(=O)Nc1ccccc1C(F)(F)F 15446180 RXXSBKCHSCGGPX-UHFFFAOYSA-N 352.356 3.785 0 40 FHAB COc1cnc(OC2CCN(Cc3ccccc3C(F)(F)F)CC2)nc1 1203697679 CNXLMQOTPGQRPF-UHFFFAOYSA-N 367.371 3.547 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)NC34CC5CC(CC(C5)C3)C4)ccc21 4512179 CEKXESSRBAUJTK-UHFFFAOYSA-N 353.466 3.686 0 40 FHAB COc1ccc(C[C@](C)(O)CNC(=O)/C=C/c2ccc(SC)cc2)cc1 206706967 JTDHLMDPKJVRMC-LNYGYFNRSA-N 371.502 3.540 0 40 FHAB O=C([C@H]1CCCN(Cc2c(F)cccc2Cl)C1)N1CCC(F)(F)CC1 2298213117 WEWAYAOQYVHEKJ-ZDUSSCGKSA-N 374.834 3.949 0 40 FHAB C=CC(=O)Nc1ccc(C(=O)N2CCSC[C@H]2c2cccs2)cc1 72547374 GRGXNXNMNYLDNW-HNNXBMFYSA-N 358.488 3.803 0 40 FHAB O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc2[nH]cnc2c1 40087330 JVLPIJRTUYYXBX-UHFFFAOYSA-N 369.446 3.532 0 40 FHAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)Cc1cccc(F)c1 40108784 FMSOGCICHQQUAB-UHFFFAOYSA-N 351.425 3.611 0 40 FHAB CC(C)C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1nnc2ccccn12 20720932 YCLAWICGNICGRW-MRXNPFEDSA-N 356.857 3.829 0 40 FHAB O=C(Cn1ccc2ccc(Br)cc21)NC1Cc2ccccc2C1 20721152 FEBGXPYSUBIVEX-UHFFFAOYSA-N 369.262 3.687 0 40 FHAB COc1cc(CNC(=O)c2c3c(nc4ccccc24)CC[C@@H](C)C3)ccn1 29840483 SONDJCRNVPGNOT-CQSZACIVSA-N 361.445 3.693 0 40 FHAB COc1ccccc1CCC(=O)OCC(=O)c1c(C)[nH]c2ccccc12 2651723 HCHHRHNUECVAEC-UHFFFAOYSA-N 351.402 3.844 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)S(=O)(=O)Cc1cccc2ccccc12 32929915 PTZARGUZLZXXRK-JXXFODFXSA-N 373.518 3.838 0 40 FHAB CN(C(=O)COc1ccc(N2CCCC2=O)cc1)C1CCCCCCC1 78718663 WCDXCWPWUXUHNI-UHFFFAOYSA-N 358.482 3.764 0 40 FHAB CCc1nc2ccccc2c(C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)c1C 3474629 RLECMWYJTSOJSZ-KDOFPFPSSA-N 368.477 3.957 0 40 FHAB Cc1ccc(-c2nc(C(=O)Nc3ccc(N4CCOCC4)cc3)cs2)o1 33146985 MESRKOVYGZKOSC-UHFFFAOYSA-N 369.446 3.800 0 40 FHAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O 4477523 VEXHJRXFUTWYJZ-QFIPXVFZSA-N 374.396 3.536 0 40 FHAB COc1ccc([C@H]2Nc3nonc3N=C3CC(C)(C)CC(O)=C32)cc1O 102748984 KQVDDZWGOYJLSJ-OAHLLOKOSA-N 356.382 3.655 0 40 FHAB O=C1O[C@H](C(=O)N(Cc2ccco2)Cc2cccs2)Cc2ccccc21 23228022 MNTMHLNPBRDJRS-SFHVURJKSA-N 367.426 3.652 0 40 FHAB CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccccc1 949583 LLBBLABZSTYKJJ-UHFFFAOYSA-N 350.374 3.942 0 40 FHAB C[C@H]1CCCCN1c1ncnc2ccc(I)cc12 955126 JVQLDUPKEHDIHA-JTQLQIEISA-N 353.207 3.613 0 40 FHAB COc1ccc(-c2nnc(CSc3nc4cc(OC)ccc4[nH]3)o2)cc1 9834538 LVDROYJVACDKPB-UHFFFAOYSA-N 368.418 3.922 0 40 FHAB CCCN(Cc1occc1C(=O)OC)[C@@H]1CCCN(Cc2ccccc2)C1 58218692 BCUJXEOMAVXPKD-LJQANCHMSA-N 370.493 3.943 0 40 FHAB COC(=O)c1cc(C)nc2nc(SC/C=C/c3ccccc3)nc(O)c12 58413368 YLCAFFIZVOZAPZ-RMKNXTFCSA-N 367.430 3.631 0 40 FHAB COc1ccc2nc(C)c(C(=O)NCc3ccc([C@H](C)O)cc3)cc2c1 58433081 FXLNJSOVNVRSCU-AWEZNQCLSA-N 350.418 3.535 0 40 FHAB Cc1nc(NC(=O)c2cc(=O)c(OCc3ccccc3F)co2)sc1C 36365040 PCXHZSSWRUXHDJ-UHFFFAOYSA-N 374.393 3.684 0 40 FHAB CCOc1cc2c(cc1NC(=O)COc1cccc(C(C)=O)c1)O[C@H](C)C2 10855834 YWAGZBZOYOOGOE-CYBMUJFWSA-N 369.417 3.629 0 40 FHAB COc1ccc(CCCNS(=O)(=O)c2ccc3ccccc3c2)cc1 10543174 YQELYXBIMKIEEA-UHFFFAOYSA-N 355.459 3.760 0 40 FHAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccccc3OC)ccc21 10972258 UXPAAUQPMNRBCH-UHFFFAOYSA-N 368.433 3.719 0 40 FHAB COc1cccc(OC)c1-c1nn2c(-c3ccccc3C)nnc2s1 2388592 WFNLVWBBRSMDSL-UHFFFAOYSA-N 352.419 3.845 0 40 FHAB Cc1sc(NC(=O)C2=COCCO2)nc1-c1ccc(OC(F)F)cc1 10955662 FSSKLUXBYXMEKC-UHFFFAOYSA-N 368.361 3.547 0 40 FHAB CCNC(=O)COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 3315389 JXORHEGNXZAROT-UHFFFAOYSA-N 368.820 3.848 0 40 FHAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1N1CCCC1 12730727 YIMUIIXGMYYCJD-MRXNPFEDSA-N 367.449 3.540 0 40 FHAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCC[C@@H]2c2ccc(F)cc2)c1 12814774 WMJVCVNMDXYGDF-LJQANCHMSA-N 354.425 3.536 0 40 FHAB COc1cc(OC)c(C(=O)N[C@H](C)c2cc3ccccc3o2)cc1OC 12901947 YWLKNFSAIOOWBG-GFCCVEGCSA-N 355.390 3.950 0 40 FHAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccnc2)c(OC)c1 8706958 AUEJMFZPPAIPPD-HXUWFJFHSA-N 361.401 3.870 0 40 FHAB Cc1nn([C@H](C)CC(=O)n2cnc3ccccc32)c(C)c1Br 8714517 QRKGRAPRJCGYCO-SNVBAGLBSA-N 361.243 3.904 0 40 FHAB COc1ccc([C@H]2CCCCCN2Cc2nnnn2-c2ccccc2)cc1 14019729 CWCFFVJGNSJUNM-HXUWFJFHSA-N 363.465 3.788 0 40 FHAB CCCCc1ccc(C(=O)CCC(=O)N2CCCN3CCC[C@@H]3C2)cc1 65585898 UHJGSIFNXMEAMY-HXUWFJFHSA-N 356.510 3.689 0 40 FHAB COc1cc2c(cc1OC)[C@H](C)N(C(=S)NCCc1ccccc1)CC2 5353494 ICBGYUVSKVVGNO-HNNXBMFYSA-N 370.518 3.740 0 40 FHAB COC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1 6405190 PSTMODCKANNFHC-NSHDSACASA-N 363.797 3.541 0 40 FHAB O=C(OCC(=O)N1CCc2sccc2C1)c1occc1-c1ccccc1 14139613 GDYXXHYEVJZKTL-UHFFFAOYSA-N 367.426 3.750 0 40 FHAB C[C@@H](OC(=O)c1cc(S(N)(=O)=O)ccc1Cl)c1ccccc1Cl 14245477 NVKOQXCAYDVIPQ-SECBINFHSA-N 374.245 3.559 0 40 FHAB COc1cc(NC(=O)CCCOc2ccc(C)cc2)cc(OC)c1OC 5577448 BORUQKVLTYVXTA-UHFFFAOYSA-N 359.422 3.819 0 40 FHAB COc1ccc(NC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)c(OC)c1 9194386 FDSJMFNRIPTDRR-UHFFFAOYSA-N 353.374 3.679 0 40 FHAB O=C(Nc1cccc(C(F)(F)F)c1)c1nn(-c2ccccc2)ccc1=O 6759753 JIAOBOZDJGQVHH-UHFFFAOYSA-N 359.307 3.504 0 40 FHAB CC(C)(C)OC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2)OCO3)c1 6789087 SNHDTQBQDWLTMQ-UHFFFAOYSA-N 357.362 3.982 0 40 FHAB Cc1ccc(C)c(-n2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)c1 6758288 OYFLXTZYCNHKOE-UHFFFAOYSA-N 350.809 3.842 0 40 FHAB COc1ccc2c(C)cc3nnc(SCCOCC(F)(F)F)n3c2c1 66408588 BYRCZFLLVGSROP-UHFFFAOYSA-N 371.384 3.871 0 40 FHAB CCc1ccc(N2C[C@@H](c3nnc(NC(=O)CC(C)C)s3)CC2=O)cc1 9198360 RCTLJGJOGBKOMD-AWEZNQCLSA-N 372.494 3.606 0 40 FHAB CCN(CC)C(=O)COc1ccc(NC(=O)c2ccccc2Cl)cc1 6939383 LRBSSFCGJGKNDX-UHFFFAOYSA-N 360.841 3.840 0 40 FHAB Cc1ccc(CNC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1 15516860 MUUHFMBDKJGRAF-UHFFFAOYSA-N 362.458 3.785 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc2ncsc2c1 15822212 LLGPUARMCOPPMM-GFCCVEGCSA-N 370.430 3.797 0 40 FHAB O=C(NC[C@@H]1CCCO1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 15940573 SUHNKQFJHQGXRY-SFHVURJKSA-N 365.408 3.587 0 40 FHAB O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 7609445 PIFJPIYCRFIAAT-PQGQHUGISA-N 352.478 3.833 0 40 FHAB O=C(COC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(Cl)cc1 7783907 UGCVGJLZEPMKMG-SFHVURJKSA-N 374.820 3.938 0 40 FHAB COc1cccc(N2C(=O)C[C@H](Nc3ccc(C(C)(C)C)cc3)C2=O)c1 7779700 QSFMTNQFHJUKQA-SFHVURJKSA-N 352.434 3.737 0 40 FHAB Cc1ccc(NC(=O)Cc2cccc(F)c2)cc1I 7758820 SZQGLFFOXLTIPG-UHFFFAOYSA-N 369.177 3.920 0 40 FHAB O=C(Nc1ccc2c(c1)CCC2)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 7802035 UFVDNVWBRXOUAX-KRWDZBQOSA-N 368.864 3.816 0 40 FHAB CCOCN(C(=O)Cn1ncc2ccccc21)c1c(C)cccc1CC 8215382 GKVBDUWHOFKAIS-UHFFFAOYSA-N 351.450 3.934 0 40 FHAB CCCCOc1ccc(NC(=O)C(=O)NCCCCc2ccccc2)cc1 408708535 JPKIFYVWFOSDJO-UHFFFAOYSA-N 368.477 3.943 0 40 FHAB CCOc1ccccc1NC(=O)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 22540648 LURRQAFGPPMDFM-INIZCTEOSA-N 354.450 3.826 0 40 FHAB O=C(Cc1cc2ccccc2[nH]c1=O)N[C@@H](CC(F)(F)F)c1ccccc1 69842135 DCQPKUMCUFAPIY-KRWDZBQOSA-N 374.362 3.881 0 40 FHAB CC(C)(C)NC(=O)NCCN1CCC[C@@H](COc2ccccc2Cl)C1 95452740 XGOVBSKESWZFHM-OAHLLOKOSA-N 367.921 3.529 0 40 FHAB CC(C)c1ocnc1C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 95956589 XIVGQRUCLORINA-UHFFFAOYSA-N 356.407 3.759 0 40 FHAB C[C@@H](Cc1ccccc1Cl)C(=O)N1CCN([C@H](C)c2ccccn2)CC1 95943194 RDEZBZSFHJSBHJ-DLBZAZTESA-N 371.912 3.819 0 40 FHAB CCc1ccc(-n2cc(C(=O)NCc3cccc(C(F)(F)F)c3)nn2)cc1 67262108 JDWZLOBYTPRPNY-UHFFFAOYSA-N 374.366 3.779 0 40 FHAB Cn1nc(-c2ccccc2)c2c(NC(=O)c3cc(O)ccc3Cl)[nH]nc21 556211064 YECDFDCLGMBIRO-UHFFFAOYSA-N 367.796 3.575 0 40 FHAB CCOc1cc(C(=O)N2CCCCC2)cc(Br)c1OCC 33705642 IBGMVABSFXJIGJ-UHFFFAOYSA-N 356.260 3.873 0 40 FHAB COc1ccc(N2CN(C3CCCCC3)Cn3c2nc(C)c(C)c3=O)cc1 36125668 VNXHIHNATVLSLK-UHFFFAOYSA-N 368.481 3.570 0 40 FHAB CCCOc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1OCCC 72414204 YLOMXYBRETWECV-UHFFFAOYSA-N 374.462 3.851 0 40 FHAB O=C(NCCCc1ccccc1)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 70640295 BOPPQAKTURGFFG-QGZVFWFLSA-N 366.383 3.671 0 40 FHAB O=C(Nc1nc2cccc(Cl)c2[nH]1)[C@H]1CCN(c2ccccc2F)C1 558547283 PPVQWVLWUBDSJV-NSHDSACASA-N 358.804 3.820 0 40 FHAB CC(C)CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3C(C)C)c2ccccc21 72404837 ZCFTZTZEXCIQJS-HXUWFJFHSA-N 352.438 3.744 0 40 FHAB Cn1c2c(sc1=O)[C@@H](c1ccccc1)CC(=O)N2c1ccc(F)c(F)c1 49543988 CPDYVHBLMDHVOC-CYBMUJFWSA-N 372.396 3.925 0 40 FHAB Cc1cccc(CS(=O)(=O)NCc2ccccc2CN2CCCCC2)c1 224828498 GBBIHVAEABDZHG-UHFFFAOYSA-N 372.534 3.601 0 40 FHAB CCCCOC(=O)c1ccc(NC(=O)c2cnc(C3CC3)nc2C)cc1 225792181 JCVPAFNNFVQLFZ-UHFFFAOYSA-N 353.422 3.872 0 40 FHAB Cc1ccccc1CS(=O)(=O)Nc1nnc(SCC(C)C)s1 225173875 AEFMWOHITIKCBH-UHFFFAOYSA-N 357.526 3.537 0 40 FHAB CC[C@@H](C)NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(C)cc2)c1 224302994 SEHUROHHDUDUQE-MRXNPFEDSA-N 374.506 3.657 0 40 FHAB CC[C@@H](NS(=O)(=O)c1ccc(F)cc1C)c1ccc(OC)c(C)c1 225601126 NNLWNUGCZHAKOI-MRXNPFEDSA-N 351.443 3.881 0 40 FHAB Cc1cccc(NC(=O)N2CCC3(CC2)C[C@@H](Nc2ccccn2)CO3)c1 96221328 JQOVRGVDCZVTQF-GOSISDBHSA-N 366.465 3.658 0 40 FHAB Cn1ccc2cc([C@@H](O)CNC(=O)c3ccccc3C(F)(F)F)ccc21 252486212 HJMDMTZDOIAPFL-KRWDZBQOSA-N 362.351 3.661 0 40 FHAB CCOC[C@@H]1CN(Cc2c(C)oc3ccccc23)C[C@H]1c1cnn(C)c1 585655634 OTFURSWUYRAXFZ-PXNSSMCTSA-N 353.466 3.727 0 40 FHAB Cc1cccc(C)c1OCC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C 257317792 VLELRNRMQACIMH-VWNVYAMZSA-N 356.510 3.546 0 40 FHAB Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cc(C4CCCCC4)no3)C2)n1 257237235 HFRTZVZQZUCNIG-MRXNPFEDSA-N 356.470 3.784 0 40 FHAB COc1ccc(CN(C)C(=O)c2ccnc(-c3scnc3C)c2)cc1 257231576 GHHUYQIRPWODHW-UHFFFAOYSA-N 353.447 3.794 0 40 FHAB Clc1ccccc1[C@H]1CN(c2nc(C3CCOCC3)ns2)CCO1 663544323 YZUZEWRBXMKDAB-OAHLLOKOSA-N 365.886 3.663 0 40 FHAB Cc1ccc(F)cc1C1(c2noc(CN3Cc4ccccc4C3=O)n2)CC1 685395719 FDSNATZOJVQSRR-UHFFFAOYSA-N 363.392 3.753 0 40 FHAB CN(CCc1ccccc1)c1ncc(C(=O)O)c(Cc2cccc(F)c2)n1 585265293 HYZADEAVMDFKIB-UHFFFAOYSA-N 365.408 3.584 0 40 FHAB COC(=O)c1cc(NC(=O)c2cc3ccc(F)cc3nc2C)c(F)cc1F 48301394 NZDOWXYNIKAKSD-UHFFFAOYSA-N 374.318 3.999 0 40 FHAB COc1cc([C@H](C)NC(=O)Nc2cccc(Cl)c2)ccc1OCCO 56343565 FVYNRXUTNYBXQW-LBPRGKRZSA-N 364.829 3.602 0 40 FHAB Fc1ccc(C2(c3noc(COC[C@H]4CCCO4)n3)CCCC2)c(F)c1 581693207 NEIGWVUXDBGMBC-CQSZACIVSA-N 364.392 3.904 0 40 FHAB Cc1cc(C(=O)N(Cc2noc(C)n2)C(C)C)c2ccc(C)c(C)c2n1 19789829 CRSNDEURDHEPQV-UHFFFAOYSA-N 352.438 3.902 0 40 FHAB OC1(C(Br)(Br)Br)CCCCC1 5374380 UGUFHUQLDXLYPM-UHFFFAOYSA-N 350.876 3.520 0 40 FHAB CC(=O)c1nnc2c(Br)c(-c3ccc(Cl)cc3)nn2c1C 5537491 MDPUIFLSWQHHBF-UHFFFAOYSA-N 365.618 3.718 0 40 FHAB COCCCNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 12147997 AOENWOGCPQEPGU-UHFFFAOYSA-N 353.344 3.610 0 40 FHAB Cc1cc(Cl)ccc1OCc1cc(=O)n2nc(-c3ccco3)sc2n1 13367606 YTXAZKFADDKATQ-UHFFFAOYSA-N 373.821 3.952 0 40 FHAB Cc1cc(OC(=O)c2cccc(Cl)c2)n(-c2nc3ccccc3[nH]2)n1 13639542 BTVFIFSULBQKQQ-UHFFFAOYSA-N 352.781 3.930 0 40 FHAB CC(C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 14009270 UIABGHRNAPRCOI-ZDUSSCGKSA-N 360.841 3.884 0 40 FHAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H]2C(=O)NCCc1cccc(Cl)c1 16225997 RETBMQRJDXWTDX-CYGHRXIMSA-N 361.869 3.692 0 40 FHAB CC(=O)N1N=C(c2ccc(Cl)c(Cl)c2)Sc2c1ncn2C(C)=O 16777699 XTYWGHGRWCOSBT-UHFFFAOYSA-N 369.233 3.670 0 40 FHAB O=C(CC1CCCCC1)N1CCC(c2cc3cccnc3c(=O)[nH]2)CC1 19347227 SERQQBSUUFECPV-UHFFFAOYSA-N 353.466 3.600 0 40 FHAB O=C(COc1ccccn1)Nc1ncc(Cc2ccccc2Cl)s1 19349669 NPBHOYVLFZLSSR-UHFFFAOYSA-N 359.838 3.800 0 40 FHAB CCN(C(=O)Cc1ccc(OC)c(OC)c1)[C@@H]1CN(C)C2(CCCCC2)C1 19704193 ULYFOBHGKXTIAR-SFHVURJKSA-N 374.525 3.502 0 40 FHAB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1O 8168710 MDQULPHCXYMZQC-XYOKQWHBSA-N 362.307 3.965 0 40 FHAB Nc1cc(F)ccc1NC(=O)/C=C\c1cnn(C/C=C/c2ccccc2)c1 203879913 BLVQHYHDYFTPDV-KXBBGWRGSA-N 362.408 3.970 0 40 FHAB CCOc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)ccc1O 7342856 RIPZZHKNVSCTPV-YBEGLDIGSA-N 356.403 3.885 0 40 FHAB CCN1CCCCCN[C@H](Cc2ccccc2)COc2ccccc2C1=O 643559504 MAMWVHPZYFJCMI-HXUWFJFHSA-N 366.505 3.912 0 40 FHAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3Cc2c(F)cccc2Cl)nn1 1888853207 SKNAFFRIEFRQHK-YIONKMFJSA-N 364.852 3.585 0 40 FHAB O=C(CCc1ccc(F)c(Cl)c1)N1CC[C@@H]2CN(c3ccccn3)C[C@@H]21 1889149512 PTAUKSPHWOVPFV-QAPCUYQASA-N 373.859 3.544 0 40 FHAB O=C(Cc1cccc2ccccc12)NCc1ccccc1CN1CCOCC1 23844879 NYHHQBJLUTWDPB-UHFFFAOYSA-N 374.484 3.531 0 40 FHAB FC(F)(F)C1(C(F)(F)F)N=C(c2ccco2)OC(N2CCCCC2)=N1 705048 GKMYPQJMTAMKOD-UHFFFAOYSA-N 369.265 3.719 0 40 FHAB CC(=O)N(C)Cc1nc2ccccc2n1CCOc1cc(C)cc(C)c1 9250278 LHEQTJPEHYORQY-UHFFFAOYSA-N 351.450 3.710 0 40 FHAB Cc1cc(C)cc(OC[C@@H](O)CN2CCN(c3cccc(Cl)c3)CC2)c1 23211981 ZZGCNFODKVEKHA-FQEVSTJZSA-N 374.912 3.519 0 40 FHAB O=C(NCCc1ccc(F)cc1)c1ccc(Cn2cnc3ccccc32)o1 35597043 DKCIYXADHSHKKW-UHFFFAOYSA-N 363.392 3.789 0 40 FHAB O=C(c1ccc(F)cc1F)N1CC[C@H](Oc2ccc3ccccc3n2)C1 225738347 MBHJXENVBYFEDT-HNNXBMFYSA-N 354.356 3.807 0 40 FHAB C[C@@H](Cc1csc2ccccc12)NS(=O)(=O)CCC(F)(F)F 575619950 HEQPWEWTTOBMFG-JTQLQIEISA-N 351.415 3.704 0 40 FHAB COC1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccccc1Br 585319866 XMUCEMIMANYHNS-YIONKMFJSA-N 352.272 3.550 0 40 FHAB C[C@H](NC(=O)N1CCC[C@H]1c1nnc2n1CCCCC2)c1ccc(F)cc1 40151599 RVLDLYDJZMIHMC-YOEHRIQHSA-N 371.460 3.751 0 40 FHAB Cn1cc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)c2ccccc21 20936086 HJUKSMCUKFJQIN-LJQANCHMSA-N 351.450 3.728 0 40 FHAB Cc1ccsc1C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 21207739 BJUXREPEALQHHM-HNNXBMFYSA-N 359.451 3.609 0 40 FHAB Cc1cccc(N2C(=O)/C(=C\Nc3cccc(O)c3)c3ccccc3C2=O)n1 102415708 WHBYUAZAYHKBDI-UYRXBGFRSA-N 371.396 3.736 0 40 FHAB O=C(NCCc1ccc(F)cc1)C1(c2ccc3c(c2)OCCO3)CCCC1 32841441 RYIAYMBIAIKWRM-UHFFFAOYSA-N 369.436 3.768 0 40 FHAB O=C(N[C@H](Sc1ncccn1)C(Cl)(Cl)Cl)c1ccccc1 820549 FTFXTRXYVRTTJJ-LLVKDONJSA-N 362.669 3.695 0 40 FHAB C[C@H]1CN(C(=O)Cc2cc(-c3ccccc3)on2)C[C@@H](c2ccccc2)O1 76017697 AFPJREXTOTWAJW-KKSFZXQISA-N 362.429 3.873 0 40 FHAB CN1CCC(C(=O)NCCSCc2ccc(Cl)cc2Cl)CC1 78578621 SXIJEACQQBPTAU-UHFFFAOYSA-N 361.338 3.685 0 40 FHAB CCOc1cc(CN(C)C2CCCCCC2)nc2nc(C(F)(F)F)nn12 78995876 QPKBJMJYPJBTQG-UHFFFAOYSA-N 371.407 3.696 0 40 FHAB COC(=O)c1cccc(C(=O)N2CC[C@](C)(CCc3ccccc3)C2)c1 79050111 NELYBEFSRBMGAM-QFIPXVFZSA-N 351.446 3.958 0 40 FHAB CCOC(=O)c1c(NC(=O)C(F)(F)C(F)F)sc2c1CC[C@@H](C)C2 3136485 CBJVSOKRCWAYKL-SSDOTTSWSA-N 367.364 3.889 0 40 FHAB Cc1ccc(NC(=S)NNC(=S)NC2CCCCC2)cc1Cl 3376990 VFTWXBYYQKTHMR-UHFFFAOYSA-N 356.948 3.647 0 40 FHAB C[C@@H](NC(=O)COC(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 3488748 KLFCOEFPJBYGLE-GFCCVEGCSA-N 366.244 3.957 0 40 FHAB COC(=O)C[C@@H]1c2ccc3cc(OC)ccc3c2CC[C@@]1(C)C(=O)OC 4721440 SVKRYUBDXQSLOP-WIYYLYMNSA-N 356.418 3.621 0 40 FHAB O=C(CSCc1ccccc1)N1N=C2CCCC[C@@H]2[C@@]1(O)C(F)(F)F 4742443 QHSLZTTVFRCVMZ-XJKSGUPXSA-N 372.412 3.559 0 40 FHAB O=C(COC(=O)c1cccs1)Nc1ccc(Br)cc1Cl 6243181 NABAHGFXYWYXQZ-UHFFFAOYSA-N 374.643 3.960 0 40 FHAB CC(C)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1n[nH]c(=S)n1C 6364893 QFKDGCXQVKWOJB-NSHDSACASA-N 359.282 3.912 0 40 FHAB C[C@]12CC[C@@H]3c4ccc(OP(=O)(O)O)cc4CC[C@@H]3[C@@H]1CCC2=O 6500102 XYNRXDLLYXFCRS-CVYDXHPNSA-N 350.351 3.583 0 40 FHAB in-vitro CCCN1C(=O)S[C@H](Cc2c(OC)ccc3ccc(OC)cc23)C1=O 6879244 WTVOQTZEGXQYFD-QGZVFWFLSA-N 359.447 3.874 0 40 FHAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2C(F)(F)F)c1 7050572 NDKVSYPMINOCQY-UHFFFAOYSA-N 373.352 3.601 0 40 FHAB Cc1ccc(OCC(=O)NCc2ccccc2CN2CCCCC2)cc1C 7850114 NSAFKURQWCPGED-UHFFFAOYSA-N 366.505 3.985 0 40 FHAB CCCNC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(OCC)cc2)n1 8476402 SLXYCKHHKJBBNE-UHFFFAOYSA-N 368.412 3.612 0 40 FHAB CN(Cc1cccc2ccccc12)C(=O)Cc1cc2ccccc2[nH]c1=O 47085050 GGPAWHLRWSLIAH-UHFFFAOYSA-N 356.425 3.882 0 40 FHAB O=C(Cc1ccccc1)Nc1ccc(C(=O)OCC(=O)c2ccccc2)cc1 990458 VCPADGPXBTZYRE-UHFFFAOYSA-N 373.408 3.908 0 40 FHAB Cc1nc(Sc2nnnn2-c2ccccc2)c2c3c(sc2n1)CCC3 942228 PQPPEISYPJQPSM-UHFFFAOYSA-N 366.475 3.615 0 40 FHAB Cc1nc(C(=O)N(C)[C@H](C)c2ccccn2)nn1-c1ccccc1C(C)C 84280557 SYRFVTKCPNHVCV-OAHLLOKOSA-N 363.465 3.927 0 40 FHAB Cc1c(C(=O)N2CCC(COc3ccccc3)CC2)[nH]c2c1C(=O)CCC2 55424066 ZZLGEQBXQNWNHE-UHFFFAOYSA-N 366.461 3.773 0 40 FHAB C[C@H](NC(=O)c1ccc(CSc2nccn2C)o1)[C@@H]1C[C@H]2CC[C@H]1C2 107331364 OXGCRCCHPNTPME-YXWQFLTLSA-N 359.495 3.860 0 40 FHAB O=C1C[C@H](c2nc(-c3ccccc3Cl)no2)CN1CCc1ccccc1 44440795 DJZIQUROAORYMR-HNNXBMFYSA-N 367.836 3.949 0 40 FHAB Cc1cc(NC(=O)c2ccn(C3CCCC3)n2)n(-c2ccc(F)cc2)n1 28245101 PYMHYBRUHYNHDN-UHFFFAOYSA-N 353.401 3.884 0 40 FHAB Cc1cc(NC(=O)N[C@@H](C)c2ccccc2Cl)ccc1-n1cnnn1 58894170 NMIAJSKAUXFJCR-LBPRGKRZSA-N 356.817 3.507 0 40 FHAB Cc1ccc(-n2cccc2)c(C(=O)NCc2ccnc(N3CCCC3)c2)c1 58297668 LVIOAPZHHJKVBY-UHFFFAOYSA-N 360.461 3.711 0 40 FHAB CCN(C(=O)C[C@H](NC(N)=O)c1cccs1)[C@H](C)c1ccc(F)cc1 58244111 AJMZYIZHQXOVKJ-DOMZBBRYSA-N 363.458 3.596 0 40 FHAB CC(C)[C@H](NC(=O)Cc1csc(-c2ncccn2)n1)c1ccc(F)cc1 58213032 XOFVLNVUXSGDCA-KRWDZBQOSA-N 370.453 3.795 0 40 FHAB C[C@H](O)c1ccc(CNC(=O)N2CCC[C@H]2Cc2cccc(F)c2)cc1 58434569 LHRKLSDQNMFMKH-YWZLYKJASA-N 356.441 3.796 0 40 FHAB Cc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1NS(C)(=O)=O 10314552 RSYCHWORWJKDKV-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB Cn1c(NC(=O)c2cccs2)c(-c2ccccn2)c(=O)c2ccccc21 2359738 UFSFXGGHXUJYQS-UHFFFAOYSA-N 361.426 3.914 0 40 FHAB COc1ccc(NC(=O)[C@@H](C)Oc2cccc3c2CCC3=O)cc1Cl 11100741 PWEZZCDQPNALSC-LLVKDONJSA-N 359.809 3.884 0 40 FHAB O=C(Nc1cccc2cc(-c3ccccc3)oc12)c1nc2ncccn2n1 36618732 LORSKKZNWOLQPF-UHFFFAOYSA-N 355.357 3.790 0 40 FHAB O=C(COC(=O)c1cccnc1Cl)Nc1cc(Cl)cc(Cl)c1 3397156 LFWCAQMJXVUXEK-UHFFFAOYSA-N 359.596 3.837 0 40 FHAB C[C@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1cccs1 12774012 OFTIXRSNLTXYFL-SCOAYWHSSA-N 368.502 3.877 0 40 FHAB Cc1cccc(NC(=O)CNC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)c1C 8756278 JXQLFPANUHOZPK-RHSMWYFYSA-N 354.450 3.707 0 40 FHAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC[C@H](C)N1CCC[C@H](C)C1 48331722 NVXGPWPUHQINDK-HOCLYGCPSA-N 372.513 3.585 0 40 FHAB Cc1c(Cl)cnc(NC(=O)COC(=O)c2cccc(F)c2)c1Cl 3404903 CXOPBTFEMOVCGP-UHFFFAOYSA-N 357.168 3.631 0 40 FHAB O=C(COC(=O)c1ccccc1Cl)NCCc1ccc(Cl)cc1 3507115 MTKQLQWUSDSGDX-UHFFFAOYSA-N 352.217 3.509 0 40 FHAB Cc1ccc(NC(=O)COC(=O)c2ccc(Br)cc2)cc1C 3508725 BFCJMXPZVJASOZ-UHFFFAOYSA-N 362.223 3.861 0 40 FHAB Cc1cccc(Cc2cnc(NC(=O)c3ccc(=O)[nH]c3)s2)c1Cl 12914812 HGQMMMDUZNRGJZ-UHFFFAOYSA-N 359.838 3.636 0 40 FHAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1n[nH]c(=O)c2ccccc12 25283304 RQPZPEPCSXNAKU-HXUWFJFHSA-N 369.424 3.637 0 40 FHAB Cc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)C[C@@H]2C)cc1 13322153 UEJJKAIZUNTNJX-HNNXBMFYSA-N 364.898 3.548 0 40 FHAB Cc1ccc([C@@]2(CC(=O)NCCCN(C)C)CCO[C@@H](C(C)C)C2)cc1 4084547 VPRGUMSCKKEJOK-IRLDBZIGSA-N 360.542 3.526 0 40 FHAB biogenic CCn1nnnc1S[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 9376290 OWPQJOYVUVBVPL-GOSISDBHSA-N 363.446 3.891 0 40 FHAB Cc1nnnn1-c1ccccc1C(=O)Nc1cccc2c1ccn2CC(C)C 96231404 GIDZSLIAXWCYGW-UHFFFAOYSA-N 374.448 3.834 0 40 FHAB CC(C)Oc1ccc([C@H](O)CCN[C@H](CC(=O)O)c2ccccc2)cc1 27517024 BGWKFZXBUYGAAT-WOJBJXKFSA-N 357.450 3.703 0 40 FHAB CCCCN(C(=O)CSc1nc2sccc2c(=O)[nH]1)[C@@H](C)CC 14022107 BEBFMYMEEAXVCE-NSHDSACASA-N 353.513 3.504 0 40 FHAB CCCn1/c(=N/C(=O)c2cnc(-c3ccccc3)nc2)[nH]c2ccccc21 65552163 TWXKVFBFCPZZIU-UHFFFAOYSA-N 357.417 3.578 0 40 FHAB COc1ccc2nc(NC(=O)c3cc(-c4ccccc4O)[nH]n3)sc2c1 5343174 WGMBFAUKZUEMQS-UHFFFAOYSA-N 366.402 3.653 0 40 FHAB Cc1ccc(F)c(NC(=O)CSCC(=O)Nc2ccc(F)cc2)c1 14183738 SNSKVHVCUNZROM-UHFFFAOYSA-N 350.390 3.584 0 40 FHAB CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2ccc3sc(C)nc3c2)C1 408979147 PBKXTCRWUDKMKZ-CQSZACIVSA-N 374.510 3.717 0 40 FHAB O=C(COC(=O)c1nc(Cl)ccc1Cl)Nc1ccc2c(c1)CCC2 4767327 LYGXSOMJKLVQCW-UHFFFAOYSA-N 365.216 3.673 0 40 FHAB O=S(=O)(N[C@H]1CCCc2ccccc21)c1ccc(Br)s1 4783364 QWNVKCAESZRJNE-LBPRGKRZSA-N 372.309 3.867 0 40 FHAB C[C@@H]1CCC[C@H]2C1=NN(C(=O)c1ccc(Cl)cc1)[C@]2(O)C(F)(F)F 409181862 GCSWADDBLXVKCC-MURWCNHISA-N 360.763 3.839 0 40 FHAB Cc1ccccc1NC(=O)CCSc1nnnn1-c1ccc(Cl)cc1 6861095 DSETWGKKHYATMZ-UHFFFAOYSA-N 373.869 3.745 0 40 FHAB CCOc1ccccc1OCCCC(=O)N[C@@H]1CCOc2ccccc21 7215558 OKKVLQNIWUYUOF-QGZVFWFLSA-N 355.434 3.884 0 40 FHAB COc1ccc([C@@]2(C)NC(=O)N(Cc3ccc(C(C)(C)C)cc3)C2=O)cc1 7737196 SJRHSADCZFLGTJ-JOCHJYFZSA-N 366.461 3.960 0 40 FHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccccn1)CC2 9217543 JIXNQAFBCKMKLX-JOCHJYFZSA-N 374.440 3.887 0 40 FHAB Clc1ccc(CNCCCSc2nnnn2-c2ccccc2)cc1 16523824 DWVBTILEZNEMAE-UHFFFAOYSA-N 359.886 3.588 0 40 FHAB Cc1nc(N[C@H](C)Cn2cncn2)c2c(-c3ccccc3)csc2n1 69192864 BJBMRMIREMDDPW-GFCCVEGCSA-N 350.451 3.759 0 40 FHAB CN(C)[C@H](CNC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1 8266890 DFLUGSSLHCVQAN-JOCHJYFZSA-N 374.488 3.782 0 40 FHAB O=C(COc1ccc2ccc(=O)oc2c1)N(Cc1ccc(F)cc1)C1CC1 24336732 VAQXSRATLSCWAC-UHFFFAOYSA-N 367.376 3.502 0 40 FHAB CCCCNC1=NN=C(c2ccc(CNC(=O)C(C)(C)C)s2)CS1 9576092 GRIVASNQYFCJIB-UHFFFAOYSA-N 366.556 3.607 0 40 FHAB CCn1nc(C(=O)N[C@@H](c2cccs2)C(C)C)c2ccccc2c1=O 9592775 RRRYACKWQHDHRA-MRXNPFEDSA-N 355.463 3.605 0 40 FHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@@H](C)c2ccccc2Cl)c1 9513796 GJUZVZPYLITNHQ-NSHDSACASA-N 373.840 3.748 0 40 FHAB CC(C)c1ccccc1NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 22796067 ALTJWNBPPJNPKS-OAHLLOKOSA-N 351.450 3.986 0 40 FHAB O=C(NC1(c2ccccc2)CCC1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 84525162 PFBRFWVJXJNCGI-SFHVURJKSA-N 368.864 3.889 0 40 FHAB CC[C@H](Oc1ccccc1C)C(=O)N(C)Cc1nc(-c2cccs2)no1 95482358 CGYSQKQCPSRXSD-AWEZNQCLSA-N 371.462 3.923 0 40 FHAB Cc1ccccc1O[C@H](C)C(=O)NCc1nc(-c2ccccc2Cl)no1 95482315 HIMXWHNJOIOMLZ-CYBMUJFWSA-N 371.824 3.782 0 40 FHAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1ccc2nc(C)oc2c1 74177086 ZJZLMCRWWIDNAL-IBGZPJMESA-N 363.417 3.611 0 40 FHAB COC(=O)c1cc(NC(=O)c2cccc3c2O[C@@H](C)[C@@H]3C)cc(F)c1F 75093540 KUIKOZYQXOQPKN-UWVGGRQHSA-N 361.344 3.888 0 40 FHAB CC(C)CC(=O)NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20151387 VTFHPNRMWXMQNY-UHFFFAOYSA-N 366.870 3.951 0 40 FHAB CC[C@@H](NS(=O)(=O)c1c(C)noc1C)C12CC3CC(CC(C3)C1)C2 28323941 BFSKRUCWPDNOLB-QFQXCOSMSA-N 352.500 3.565 0 40 FHAB C[C@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1ccc(Br)cc1 22234039 NBUCMGVUROEPMN-NSHDSACASA-N 371.234 3.782 0 40 FHAB COc1cccc(Nc2nnc(CC(=O)NC3CCCCCC3)s2)c1 62007172 SFQUEBVWBZJLEP-UHFFFAOYSA-N 360.483 3.672 0 40 FHAB CSc1ccc(CNC(=O)c2n[nH]nc2Nc2ccc(Cl)cc2)cc1 67283640 PPKVIGUPZJQXAW-UHFFFAOYSA-N 373.869 3.854 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 38858348 HRERUBWYSNPFQB-SFHVURJKSA-N 354.425 3.879 0 40 FHAB CCOc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3ccccc3F)no2)cc1 32623977 CWGAJEXSILPLPX-GFCCVEGCSA-N 371.368 3.680 0 40 FHAB COc1ccccc1Oc1ccc(C(=O)NCCCn2nc(C)cc2C)o1 72265296 WUPCIXSUPNOIDW-UHFFFAOYSA-N 369.421 3.714 0 40 FHAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]3CC[C@]12O[C@@H]1NC(=O)C[C@H]13 5723729 ZQUKJJYESYKDCV-ZJONKMCBSA-N 373.537 3.621 0 40 FHAB biogenic COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1F 30289392 VJHVLEPHDCCONF-UHFFFAOYSA-N 364.225 3.620 0 40 FHAB O=C(/C=C/c1cccs1)N1CCN(Cc2ccc(Cl)s2)CC1 32498453 YTMVPHIXRMLFPY-GQCTYLIASA-N 352.912 3.821 0 40 FHAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccc(Cl)cc1)c1cccnc1 72396945 BPGAEAFRYVTTQP-GOSISDBHSA-N 366.852 3.787 0 40 FHAB O=S(=O)(c1ccccc1N[C@H]1CCc2c(O)cccc21)C(F)(F)F 72307620 PLJCLIWQFNMOQP-LBPRGKRZSA-N 357.353 3.785 0 40 FHAB CCOC(=O)c1cc(NC(=O)C(C)(C)OCC)ccc1O[C@@H](C)CC 225813929 YYGSXMUEQNCRKQ-ZDUSSCGKSA-N 351.443 3.794 0 40 FHAB Cc1cc(Cl)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 44901285 DCSHSKBVZRAFCI-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB COc1ccc(CCCNC(=S)Nc2ccc(F)c(F)c2)cc1OC 225627706 KUEVPCXWGZSVBK-UHFFFAOYSA-N 366.433 3.901 0 40 FHAB COc1cccc(NC(=S)NCc2ccc(-n3ccnc3C)cc2)c1 225456399 FVOKLJBJHNDTKL-UHFFFAOYSA-N 352.463 3.676 0 40 FHAB COc1cccc2c1ccn2CCC(=O)NCCc1c[nH]c2ccccc12 40309491 IOKDZLIVUABUIL-UHFFFAOYSA-N 361.445 3.880 0 40 FHAB biogenic Cc1ccc(CNC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 225311929 ZPZZRYGSKIZKNG-UHFFFAOYSA-N 353.491 3.917 0 40 FHAB COc1cccc(CC(=O)N(C)Cc2cc(Br)cs2)c1 48069601 GWBZFMGQLIEALH-UHFFFAOYSA-N 354.269 3.720 0 40 FHAB CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 223270537 RPIAARWFPVDISS-UHFFFAOYSA-N 373.261 3.777 0 40 FHAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OCC)c1 225796530 HIHRXJCSBQGVJV-LJQANCHMSA-N 351.443 3.794 0 40 FHAB COc1ccc(OC)c(NC(=O)c2snnc2-c2ccc(C)cc2)c1 225774812 DHRDBECJYGIDKS-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(N2CCOCC2)cc1 98086220 DFZBYMWPWSLDSS-UHFFFAOYSA-N 373.456 3.761 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1 85555855 MYIASYOELBUSKJ-AWEZNQCLSA-N 367.405 3.503 0 40 FHAB N[C@@H](c1ccc(Cl)cc1)c1n[nH]c(-c2ccc(Br)o2)n1 95534038 ZLCCVVLRLTYMOO-NSHDSACASA-N 353.607 3.529 0 40 FHAB COc1cccc2c1N(S(=O)(=O)c1ccc3nc(C)sc3c1)CCC2 585085571 JLCUCDJPPCRRIC-UHFFFAOYSA-N 374.487 3.755 0 40 FHAB O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccc(F)cc3)N2C(=O)c2ccccc2)N1 257270829 MVVJHEVJIKLJOG-AABGKKOBSA-N 366.436 3.840 0 40 FHAB O=C(Cc1ccc(F)cc1)N1CCCC[C@@H]1c1nnc(-c2ccncc2)o1 257342148 ZNGPGICCZZSLOU-QGZVFWFLSA-N 366.396 3.567 0 40 FHAB CC[C@H]1CCCCN1CCCNC(=O)[C@H](C)Oc1cccc(Cl)c1 260408990 YGDPWPHHMVDSEE-RDJZCZTQSA-N 352.906 3.878 0 40 FHAB CO[C@]1(C)CCCN(C(=O)NCc2c(F)cccc2OC(F)F)CC1 280210467 IDWFKBCEBGZQJO-QGZVFWFLSA-N 360.376 3.528 0 40 FHAB Cc1nc(NC(=O)Nc2c[nH]nc2-c2ccccc2)nn1-c1ccccc1 1310792496 CBOGCHDAPHOYMQ-UHFFFAOYSA-N 359.393 3.610 0 40 FHAB O=C1[C@@H]([C@@H](O)c2ccc(Cl)cc2)C(C(F)(F)F)=NN1c1ccccc1 100355069 CDTSINXPPVQPJV-KBPBESRZSA-N 368.742 3.955 0 40 FHAB biogenic Cc1ccc(CCCCC(=O)N2C[C@H](C)C(=O)Nc3ccncc32)cc1 1615592300 WSZSACVNVGBUBC-INIZCTEOSA-N 351.450 3.724 0 40 FHAB Cc1c(Br)csc1C(=O)NCC[C@](C)(O)c1ccccc1 1615610139 CRUXUSKQIYNCOJ-INIZCTEOSA-N 368.296 3.847 0 40 FHAB COc1nc2ccccc2cc1CN1CC2(CN(Cc3ccccc3)C2)C1 1137206649 BBWKOUUSTKVZSN-UHFFFAOYSA-N 359.473 3.561 0 40 FHAB COc1ncc(-c2ccc3c(c2)C(c2ccccc2)=NCC(=O)N3)cc1C 1242432963 RYPWLAJPBLAREJ-UHFFFAOYSA-N 357.413 3.855 0 40 FHAB OC[C@]1(c2ccccc2)CCN(c2nc(-c3cc(F)cc(F)c3)ns2)C1 645246916 XXPZOLJWLUFVRJ-IBGZPJMESA-N 373.428 3.624 0 40 FHAB CCc1ccc(CN2CCc3oc(C(=O)N4CCC[C@H](C)C4)nc3C2)cc1 585113101 ZTIWYHGMWXFCLN-INIZCTEOSA-N 367.493 3.667 0 40 FHAB COCc1c(C(=O)NN2Cc3ccccc3C2)sc2cccc(F)c12 89420307 SORCBCNCOCQNIN-UHFFFAOYSA-N 356.422 3.847 0 40 FHAB Cc1cc(OCC(=O)O[C@H](C)c2nc3ccccc3c(=O)[nH]2)ccc1Cl 5994391 MHIIGRMRXWZTIM-GFCCVEGCSA-N 372.808 3.568 0 40 FHAB COCCN1C(=O)S/C(=C/c2cccc(OCc3ccccc3)c2)C1=O 8104501 XQPYYVFFTLCIBT-QGOAFFKASA-N 369.442 3.948 0 40 FHAB CCOc1ccccc1CN1CCC(c2nn(C)c3ncccc23)CC1 12276012 QCLZZLWJSODPOP-UHFFFAOYSA-N 350.466 3.747 0 40 FHAB CC[C@H]1CCCCN1CCCNC(=O)c1ccccc1Br 13669585 WTLLDWUZGRRFHM-AWEZNQCLSA-N 353.304 3.834 0 40 FHAB CCc1ccccc1NC(=O)[C@@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O 13713065 MVGIKPVNWAWISS-LJQANCHMSA-N 374.506 3.741 0 40 FHAB COc1cc2c(NCc3ccc(Cl)cc3)ncnc2c(OC)c1OC 13834083 LHBOTJAKRHYQRC-UHFFFAOYSA-N 359.813 3.921 0 40 FHAB CC(C)C(=O)Nc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1 15561134 GSPIZSGFNKNYBJ-UHFFFAOYSA-N 369.446 3.578 0 40 FHAB O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(Cc2cc3ccccc3o2)C1 15674120 XWISFQQRPYZFNE-AEFFLSMTSA-N 361.401 3.791 0 40 FHAB biogenic,in-vitro COc1cccc(C(=O)N(Cc2cc(=O)[nH]c3ccccc23)C(C)C)c1 15838881 DHFQNEDKZZHYQL-UHFFFAOYSA-N 350.418 3.588 0 40 FHAB CC(C)c1cc(C(=O)N2CCC(c3nnc(-c4ccsc4)o3)CC2)[nH]n1 19451773 YZSSXPQMJHRMDF-UHFFFAOYSA-N 371.466 3.664 0 40 FHAB C[C@@H](CCc1ccc(F)cc1)NC(=O)c1ccccc1Cn1ccnc1 19455763 SGEDPBOJGXBLIU-INIZCTEOSA-N 351.425 3.822 0 40 FHAB CNc1cc(CNC(=O)c2oc3ccccc3c2C)nc(-c2cccnc2)n1 19566300 GHCNIGCXOZYAAX-UHFFFAOYSA-N 373.416 3.565 0 40 FHAB CCN(CC)C(=O)C1=C(C)N=C2N=NNN2[C@@H]1c1ccc(C(C)(C)C)cc1 35148121 MAFDSPLKMPGYSW-QGZVFWFLSA-N 368.485 3.725 0 40 FHAB CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Br)cc1 20001380 DWGACCBLNXFDSC-UHFFFAOYSA-N 358.232 3.803 0 40 FHAB CO[C@@]1(COc2ccccc2)CCCN(C(=O)CCc2ccc(F)cc2)C1 2037909319 SBAKLMLQZUESOC-QFIPXVFZSA-N 371.452 3.845 0 40 FHAB CCc1ccc(C(=O)N2CCC[C@](COc3ccccc3)(OC)C2)cc1 2037916103 OBPBYVGJVSBJJQ-QFIPXVFZSA-N 353.462 3.949 0 40 FHAB COc1ccccc1N1C[C@](O)(c2ccc(C)cc2)[N+]2=C1CCCCC2 2974487 NHCIYALWHCUOFT-QFIPXVFZSA-N 351.470 3.654 0 40 FHAB CCc1cccc2sc(N3CCN(C(=O)c4cccc(F)c4)CC3)nc12 5181552 LONAZFXTNWDTNH-UHFFFAOYSA-N 369.465 3.960 0 40 FHAB COc1cc(CSc2nnc3n2CCN3c2ccccc2)cc(OC)c1 9651658 ULMZABOUXUVPFV-UHFFFAOYSA-N 368.462 3.739 0 40 FHAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1NC1CCCCCC1 17297389 ZFTPCGMCZUZKQK-UHFFFAOYSA-N 369.465 3.852 0 40 FHAB CCc1nc2ccc(C(=O)N3CCCC[C@@H]3c3ccnn3C)cc2s1 1775967069 DGZFRDSENIYGSK-MRXNPFEDSA-N 354.479 3.960 0 40 FHAB Cc1ccc(-n2cnnc2SCC(=O)N[C@H](C)c2cccc(F)c2)cc1 40050868 WVJHTXDTXOBALB-CQSZACIVSA-N 370.453 3.684 0 40 FHAB CCc1ccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 20112738 PFVHWLQZPXIAEQ-KRWDZBQOSA-N 367.445 3.788 0 40 FHAB biogenic CCOc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)OC)c3)n[nH]2)cc1 51315449 HXFKDBTWDMBBAY-UHFFFAOYSA-N 365.389 3.514 0 40 FHAB CCCc1ccc(C(=O)COC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 102491570 ORFCNOQZOAXPJL-WZGNDQMWSA-N 356.462 3.696 0 40 FHAB O=C1c2ccccc2C(=O)N1CCN1CCC(c2c[nH]c3ccccc23)CC1 32879747 VIGMLAAKWQNCMP-UHFFFAOYSA-N 373.456 3.644 0 40 FHAB O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)[C@@H]1CCCO1 2617861 FPVNKRWCUSMIEE-NSHDSACASA-N 355.872 3.601 0 40 FHAB O=C(COC(=O)Cc1ccccc1F)Nc1ccc(C(F)(F)F)cc1 2628893 RVLYJOYKGYIUAY-UHFFFAOYSA-N 355.287 3.569 0 40 FHAB Cc1ccc2nc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)sc2c1 2627160 ZIURDVDPDWHADK-HNNXBMFYSA-N 365.458 3.592 0 40 FHAB CNC(=S)N(Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O 920066 WZLBJVMUXOOMED-UHFFFAOYSA-N 365.502 3.651 0 40 FHAB O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2)nc1)c1ccncc1 1353189 VLODYEJSNVBFRG-UHFFFAOYSA-N 352.781 3.635 0 40 FHAB COc1cc(CN(C)[C@@H]2CCN(c3ccccc3F)C2=O)ccc1SC 79027757 DFQHYPAHKSCGFB-QGZVFWFLSA-N 374.481 3.794 0 40 FHAB CN(Cc1nc(-c2ccc(Br)s2)no1)c1nccs1 79068460 UHBAWWLQAMEFNT-UHFFFAOYSA-N 357.258 3.654 0 40 FHAB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)N[C@H]1CCCc2ccccc21 22174088 MODFONAOEMOYPF-NHYWBVRUSA-N 374.535 3.787 0 40 FHAB COc1cccc(-c2nn3c(-c4cccc(F)c4)nnc3s2)c1OC 633122 ZQPDAXJULRAEKR-UHFFFAOYSA-N 356.382 3.676 0 40 FHAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccccc1F 679737 YKRLXUJRDVVHLR-UHFFFAOYSA-N 354.337 3.932 0 40 FHAB Cc1cccc(NC(=S)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1 4857492 UOTVADWUHLNLOW-UHFFFAOYSA-N 371.481 3.725 0 40 FHAB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccc(C(C)C)cc2)C1=O 6948481 GMGWDBBGMRTIGP-WJDWOHSUSA-N 360.479 3.715 0 40 FHAB CSc1cccc(NS(=O)(=O)c2ccccc2Br)c1 7053489 QBIPEKNJSNRYRQ-UHFFFAOYSA-N 358.282 3.972 0 40 FHAB Cc1ccccc1-c1nnc(SCCCn2c(=O)[nH]c3ccccc32)o1 7984185 KKYUEOFECPMPAV-UHFFFAOYSA-N 366.446 3.870 0 40 FHAB CC(C)Cc1ccc([C@H](C)NC(=O)Cn2cnc3sccc3c2=O)cc1 7988825 BKDDAZDYKJEZHA-AWEZNQCLSA-N 369.490 3.534 0 40 FHAB CC[C@@H](C(=O)OC)n1cnc2scc(-c3ccc(Cl)cc3)c2c1=O 783698 HVBSTRUPKIDBMH-ZDUSSCGKSA-N 362.838 3.903 0 40 FHAB COc1cc(COC(=O)c2ccc(NC(C)=O)cc2)ccc1OC(F)F 22864696 OMONCEIWQXMCJU-UHFFFAOYSA-N 365.332 3.612 0 40 FHAB CCN(Cc1ccc(OC)c(OC)c1)Cc1nc(-c2ccc(F)cc2)no1 22971582 BYHXYHQNXJKMKG-UHFFFAOYSA-N 371.412 3.915 0 40 FHAB O=C(CSc1ncnc2sc3c(c12)CCCC3)NCc1ccccc1 888496 CSDGBRHMLUJTLZ-UHFFFAOYSA-N 369.515 3.979 0 40 FHAB CCOc1cc(S(=O)(=O)n2c(C)nc3ccccc32)ccc1Cl 816484 MYWOSGIZAFBTIT-UHFFFAOYSA-N 350.827 3.634 0 40 FHAB COc1ccc(S(=O)(=O)NCCCc2ccc(Cl)cc2)cc1C 10543388 UZIHUJUYNTZQTF-UHFFFAOYSA-N 353.871 3.568 0 40 FHAB Cc1cccc(NC(=O)CN(C)c2nn3cc(C(C)(C)C)nc3s2)c1C 24864823 BNZWCPJZDUHAGR-UHFFFAOYSA-N 371.510 3.780 0 40 FHAB CC(C)C(=O)Nc1cccc(CNC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 106861154 OMQOOZXNBXVCBY-YEWFCNIMSA-N 357.498 3.905 0 40 FHAB Cc1ccc(N[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1C 101076855 YYVXUCCSYQDYNQ-INIZCTEOSA-N 373.250 3.810 0 40 FHAB Cc1nccn1-c1ccc(CNC(=O)c2cc3c(s2)CCC3)cc1F 84291036 WHXBWFGGANPDCH-UHFFFAOYSA-N 355.438 3.800 0 40 FHAB O=C(Nc1ccc(F)c(F)c1F)c1cccc(OC[C@@H]2CCCO2)c1 26337487 FPDKBJQXUCBKKX-ZDUSSCGKSA-N 351.324 3.914 0 40 FHAB Cc1cc(OCC(=O)Nc2nnc([C@@H]3CCCO3)s2)ccc1C(C)C 28228206 IUPFWMUAWOGPTF-HNNXBMFYSA-N 361.467 3.839 0 40 FHAB CCOC(=O)COc1ccc2c(=O)c(Oc3ccc(F)cc3)coc2c1 3254093 TZIRJLWIBJYNDD-UHFFFAOYSA-N 358.321 3.666 0 40 FHAB Cc1ccc(C)c(NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)cc2=O)c1 57477798 UQMHYRFTEXLEDC-UHFFFAOYSA-N 365.408 3.613 0 40 FHAB Cc1cc2nc(NC[C@@H](c3cccs3)N(C)C)c3ccccc3n2n1 26761579 FOXFUDPOWSDPGL-INIZCTEOSA-N 351.479 3.967 0 40 FHAB O=C(Nc1ccc(F)cc1)c1nnc(CN(Cc2ccco2)C2CC2)s1 26929140 SXFPDXIIZYYCQS-UHFFFAOYSA-N 372.425 3.687 0 40 FHAB CC(=O)c1sc2nc(CN3CCC[C@@H]3c3cccs3)[nH]c(=O)c2c1C 58169306 BGSOBLZCFQXNMO-GFCCVEGCSA-N 373.503 3.894 0 40 FHAB C[C@@H](CNC(=O)c1cnc(-c2ccccc2)s1)N1CCc2ccccc21 48264026 IDNUKDUHILPXRQ-HNNXBMFYSA-N 363.486 3.991 0 40 FHAB Cc1ccc(OCCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1C 48288129 QIQATYRDOLDHFA-UHFFFAOYSA-N 363.461 3.917 0 40 FHAB O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ncccn1 3346170 HODQPGUFTOOHMV-UHFFFAOYSA-N 361.430 3.546 0 40 FHAB CCOc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2)[C@H](C)CC)cc1 3350613 TVIDKOCBLIMSHU-BEFAXECRSA-N 354.450 3.869 0 40 FHAB COc1cccc(NC(=O)COC(=O)c2cccc(C(F)(F)F)c2)c1 3386167 RNGMBNWIEWJHNS-UHFFFAOYSA-N 353.296 3.510 0 40 FHAB COC(=O)C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118929061 AHQOETYKJDAWOY-ANWZHMNCSA-N 362.510 3.604 0 40 FHAB Cc1cc(CN(C)C(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)no1 58421609 KSARHCCLSSRXKQ-UHFFFAOYSA-N 353.300 3.635 0 40 FHAB COc1ccc(CNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 20488633 UUAORFVPEMTLKU-QGZVFWFLSA-N 352.478 3.857 0 40 FHAB CCN(Cc1ccc(Cl)s1)Cn1nc(-c2cccs2)oc1=O 28784763 RGGSLZBLSFHCPM-UHFFFAOYSA-N 355.872 3.759 0 40 FHAB O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1ccc2nccnc2c1 11181052 WRWBVNBPIGETHZ-UHFFFAOYSA-N 358.357 3.727 0 40 FHAB COc1ccc(-n2ccnc2S[C@@H](C)C(=O)N2CCC(C)CC2)cc1 11395259 FBFVIJDBRWXSNT-HNNXBMFYSA-N 359.495 3.620 0 40 FHAB COCC1CCN(c2ccc3cc(Br)c(F)cc3n2)CC1 72307855 PUVFXTJPLZYDDU-UHFFFAOYSA-N 353.235 3.999 0 40 FHAB COCCn1ccnc1[C@@H]1CN(Cc2cccc(F)c2)Cc2ccccc21 306137566 QZZHRJLEPFRTOR-OAQYLSRUSA-N 365.452 3.816 0 40 FHAB C[C@H]1CN(c2ccc(NC(=O)CCc3ccccc3O)cc2F)C[C@@H](C)O1 46069380 TXUGEFHHJNIQBP-GASCZTMLSA-N 372.440 3.716 0 40 FHAB COc1ccccc1NC(=O)CS[C@@H]1CCc2ccccc2N=C1O 11865848 IMDNYAOGOFUYKY-QGZVFWFLSA-N 356.447 3.970 0 40 FHAB S=c1nc2ncccn2n1CN1CCC(CCc2ccccc2)CC1 12869170 YGUJWQOOVWBUPV-UHFFFAOYSA-N 353.495 3.563 0 40 FHAB Clc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccncc3)n2)cc1 67898567 KNBULZBNSILDGB-SFHVURJKSA-N 354.841 3.699 0 40 FHAB biogenic,in-vitro CN(Cc1c(F)cccc1Cl)C(=O)c1nn(-c2ccccc2)cc1O 12879743 UXZLPASVXQFXIA-UHFFFAOYSA-N 359.788 3.643 0 40 FHAB Cc1cccc(C(=O)OCC(=O)Nc2ncc(Cl)c(C)c2Cl)c1O 3527556 OJBXLXVGALZBBB-UHFFFAOYSA-N 369.204 3.506 0 40 FHAB CSc1cccc(N2C[C@H](C(=O)NCCC3=CCCCC3)CC2=O)c1 12983589 BZFQPGKUGMWYKS-MRXNPFEDSA-N 358.507 3.768 0 40 FHAB C[C@@H]1C=CC[C@H]2C(=O)N(c3cccc(OC(=O)c4cccs4)c3)C(=O)[C@H]12 18241138 CDXAURGGILHKJY-SRCQZFHVSA-N 367.426 3.669 0 40 FHAB Cc1cc2nc(C)c(CCC(=O)Nc3cccc4cccnc34)c(C)n2n1 13005784 DBXZDEXWPPZWEQ-UHFFFAOYSA-N 359.433 3.774 0 40 FHAB COc1ccccc1-c1nc(COC(=O)c2cc(C(C)=O)c[nH]2)cs1 18601634 WCLCKQYVTGGGBY-UHFFFAOYSA-N 356.403 3.706 0 40 FHAB CCOC(=O)c1cnc2ccc(OCC)cc2c1NCc1cccnc1 4123175 YQKUURIMCJIPQO-UHFFFAOYSA-N 351.406 3.817 0 40 FHAB CC(=O)N1N=C(c2cccc(C)c2)O[C@@H]1c1ccc(Br)cc1 4357670 BCVMPJVLITZHDQ-QGZVFWFLSA-N 359.223 3.997 0 40 FHAB OCCSCc1nnc2c3ccccc3c(-c3ccc(Cl)cc3)nn12 5204032 HVVNOBXZIYGDJG-UHFFFAOYSA-N 370.865 3.823 0 40 FHAB CC[C@@H]1c2ccsc2CCN1C(=O)CNC(=O)OCc1ccccc1 65518252 XQFVUQYCKHSEDI-MRXNPFEDSA-N 358.463 3.510 0 40 FHAB C[C@@H]1CCCN(C(=O)COC(=O)c2cccc(Oc3ccccc3)c2)C1 6485718 RCRUPBVFSXRWNE-MRXNPFEDSA-N 353.418 3.894 0 40 FHAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2C)c(C)c1 4535139 KDXYCTLNKMIRRE-UHFFFAOYSA-N 356.451 3.731 0 40 FHAB CCCn1nc(C(=O)N[C@H]2CCCc3ccccc32)c2ccccc2c1=O 5516959 YYZJUMWDZWYVIA-IBGZPJMESA-N 361.445 3.614 0 40 FHAB COc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1OC 9690189 DSQNCDHBQVEQEU-UHFFFAOYSA-N 366.373 3.801 0 40 FHAB C[C@@H]1CCCCN1C(=O)COc1ccc2c3c(c(=O)oc2c1)CCCCC3 5860612 ORHXVOVFAYSYED-OAHLLOKOSA-N 369.461 3.842 0 40 FHAB CCN(CCCNS(=O)(=O)c1ccccc1Cl)c1ccccc1 15364900 JDJNGTBMDRVYED-UHFFFAOYSA-N 352.887 3.535 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)c2cc(-c3ccccc3)[nH]n2)c1 7117783 BPDBGZRICPITOV-ZDUSSCGKSA-N 351.406 3.585 0 40 FHAB OC[C@@H]1CCCN(Cc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)C1 16046979 WYMNJKCOXKTMRK-QVKFZJNVSA-N 357.425 3.638 0 40 FHAB Cc1ccccc1CN(C)C(=O)CSc1nnc(C2CC2)n1C1CC1 9446038 FYIFEDRHACKWKI-UHFFFAOYSA-N 356.495 3.550 0 40 FHAB O=C(c1ccc(-c2ccccc2F)s1)N1CCCC[C@@H]1C1OCCO1 69283325 YDAHCMDJIMPKQM-OAHLLOKOSA-N 361.438 3.922 0 40 FHAB O=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1Cl 8289669 IABFLPSUCOJNBT-UHFFFAOYSA-N 370.880 3.551 0 40 FHAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccccc1Oc1ccccc1)CS2 9721498 ZFIABTPXJQSQSU-JXFKEZNVSA-N 368.458 3.871 0 40 FHAB O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc(-c2ccco2)[nH]c1=O 69950350 KGEORDYIDHEOSI-CQSZACIVSA-N 370.405 3.741 0 40 FHAB CC(C)N(C)CC(=O)N(C)c1nc2c(s1)C[C@H](c1ccccc1)CC2 95958622 YEPMBIJJDGNYKG-MRXNPFEDSA-N 357.523 3.719 0 40 FHAB O=C(N[C@@H]1CCCc2sccc21)c1ccc(OCC(F)(F)F)nc1 95944834 QDYBCTBOSGXPOY-GFCCVEGCSA-N 356.369 3.892 0 40 FHAB O=C(CSc1nnc(Cc2c[nH]c3ccccc23)o1)Nc1ccccc1 21682054 OBWIDNOHTFHAGM-UHFFFAOYSA-N 364.430 3.873 0 40 FHAB CCCCOc1ccc(NC(=O)C(=O)NCc2ccc(OCC)cc2)cc1 408707402 AGYDUTHVIIONAB-UHFFFAOYSA-N 370.449 3.519 0 40 FHAB O=C(c1ccn(-c2ccc(F)cc2F)n1)N1CCC[C@@H](c2ccncc2)C1 514633731 KLYGYRAYJFMUDL-OAHLLOKOSA-N 368.387 3.565 0 40 FHAB Cc1ccc(NC(=O)c2sccc2NC(=O)c2cnccn2)cc1C 67335920 JRPSQNWVIKVPMS-UHFFFAOYSA-N 352.419 3.660 0 40 FHAB O[C@H]1CCOc2c(NCc3ncc(Cl)cc3Br)cccc21 527693128 QJSUTZIINHJDGX-AWEZNQCLSA-N 369.646 3.926 0 40 FHAB O=C(Nc1cccc(OC2CCCC2)c1)[C@H]1CC(=O)N(C2CCCC2)C1 31206122 JXFWJFLXNXIBPD-HNNXBMFYSA-N 356.466 3.738 0 40 FHAB COc1ccccc1C(=O)Nc1ccc(-c2nc3cnccc3o2)c(O)c1 36353628 GYNHJEVANRCBHY-UHFFFAOYSA-N 361.357 3.856 0 40 FHAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCCc1ccccc1OC 219557633 DEPIRVJYLZZUEI-QGZVFWFLSA-N 357.450 3.610 0 40 FHAB Cc1cccnc1Nc1nccc([C@@H]2CCCN(Cc3cccnc3)C2)n1 72377634 AGMKHWWJXPODCX-GOSISDBHSA-N 360.465 3.698 0 40 FHAB O=C(c1cnc(N2CCc3sccc3C2)c(Cl)c1)N1CCCCC1 71937264 QVQGCODKEVGSCP-UHFFFAOYSA-N 361.898 3.985 0 40 FHAB CO[C@@H](C)c1cccc(NC(=O)N2CCC3(C2)Oc2ccccc2O3)c1 563650718 MNPCZIKFANEEGH-AWEZNQCLSA-N 354.406 3.799 0 40 FHAB CCc1nc2cccnc2n1C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 72366000 OCDFKGGJVSPRQM-UHFFFAOYSA-N 373.460 3.952 0 40 FHAB CC1CCN(c2ccc(N)cc2NC(=O)C(Cl)(Cl)Cl)CC1 226253744 YFCVAIYHSPRFLU-UHFFFAOYSA-N 350.677 3.814 0 40 FHAB COc1ccc([C@H](C)NC(=O)CCc2nc(-c3ccccc3C)no2)cc1 225817195 QNSMEHDRKQUTGZ-HNNXBMFYSA-N 365.433 3.864 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 224769859 JGJPTRMTESXGLH-IBGZPJMESA-N 366.505 3.789 0 40 FHAB O=C(CCCn1c(=O)oc2ccccc21)Nc1nc(-c2ccco2)cs1 40111467 HMYXJJQYVOXFQZ-UHFFFAOYSA-N 369.402 3.730 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)CCc2ccc(OC)c(C)c2)c1 225704097 DJDHMMKEIUHDET-HNNXBMFYSA-N 357.450 3.831 0 40 FHAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCOC)nc1C 225897725 JWWHBFCOTSUEGM-LJQANCHMSA-N 352.475 3.729 0 40 FHAB CCOc1ccccc1NC(=S)N[C@H](C)COc1ccccc1OC 225785685 QKOMCUQQBCIZSM-CQSZACIVSA-N 360.479 3.848 0 40 FHAB CCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)cc1C(=O)OC 225818400 CCXLCSRSXVMZAD-IBGZPJMESA-N 351.443 3.652 0 40 FHAB O=C(Nc1cccc2cccnc12)c1cccnc1O[C@@H]1CCSC1 225727476 KWAAFSPWEHQDKU-CQSZACIVSA-N 351.431 3.766 0 40 FHAB CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)c(C)n1 225873146 HJWHFLUKPZDOOA-UHFFFAOYSA-N 354.450 3.784 0 40 FHAB C[C@H]1CCCCN1c1cc(Cl)nc(NC(=S)NCc2ccco2)n1 225913896 KDHQXZTUNMWUGA-NSHDSACASA-N 365.890 3.588 0 40 FHAB CC[C@@H](Oc1ccccc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 95482488 OVNPDDFWOBIMMT-MRXNPFEDSA-N 371.824 3.864 0 40 FHAB COc1cc2c3c(c1)C(CN1[C@@H](C)CCC[C@H]1C)=CC(C)(C)N3C(=O)C2=O 334160999 QNFSDGPQNCDUBR-OKILXGFUSA-N 368.477 3.663 0 40 FHAB CC(C)n1cc(-c2nccnc2[C@H]2CCCN(C(=O)C(C)(C)C)C2)cn1 257272509 NCQTYVMHBCPVLI-HNNXBMFYSA-N 355.486 3.673 0 40 FHAB CC(C)CNc1cc(-c2c[nH]nc2[C@@H]2CCN(C(=O)C3CCC3)C2)ccn1 257224627 FCPJONQGWWWFHE-QGZVFWFLSA-N 367.497 3.656 0 40 FHAB O=c1c(Cl)c(Cl)c(Cl)nn1-c1cccc(Br)c1 252483309 DYWFZOPDTHXKMD-UHFFFAOYSA-N 354.418 3.955 0 40 FHAB CC(=O)Nc1cc(S(=O)(=O)N2C[C@H]3CC[C@H]2c2ccccc23)ccc1C 585080443 SIHFAEVYCMVWEY-QRWLVFNGSA-N 370.474 3.576 0 40 FHAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4)OCC[C@@]31C2 257304629 SMKQQJIUENVVJR-AABFTTDASA-N 357.494 3.722 0 40 FHAB O=C(NCc1cnc([C@@H]2CCCCO2)nc1)c1cc2ccccc2s1 257341762 ZLXBGGQJJWGSRA-HNNXBMFYSA-N 353.447 3.863 0 40 FHAB C[C@H](Oc1cccc2ccccc12)C(=O)N1CC(=O)N(C)c2ccccc2C1 1633140142 XCASIKUVAMXAKP-INIZCTEOSA-N 374.440 3.612 0 40 FHAB CC(=O)N1CC[C@@H](NCCc2cn(C)c3cc(F)ccc23)c2ccccc21 621760654 PHDBJOHDRHUWBS-HXUWFJFHSA-N 365.452 3.947 0 40 FHAB Clc1cccc([C@@H]2CN(c3nc(C4CCOCC4)ns3)CCO2)c1 663806152 FUEQNSPFTNJZOJ-HNNXBMFYSA-N 365.886 3.663 0 40 FHAB CCc1cccc2c(CC(=O)N[C@H](c3ccccc3)c3n[nH]c(C)n3)c[nH]c12 109271224 XWVIEVFSPGSIQH-OAQYLSRUSA-N 373.460 3.605 0 40 FHAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1ccc(-c2ccccc2F)o1 43271626 VWXOBWHEERMEDC-CQSZACIVSA-N 355.369 3.714 0 40 FHAB O=C(Nc1cccnc1N1CCSCC1)c1csc(-c2ccco2)n1 51988694 FEEXPSYSHKEBNV-UHFFFAOYSA-N 372.475 3.604 0 40 FHAB CONC(=O)c1cc(-c2ccccc2C(F)(F)F)nc2onc(C)c12 54887915 NIFDGWQAOCNMJU-UHFFFAOYSA-N 351.284 3.508 0 40 FHAB COc1ccccc1[C@@H]1CN(C2CCCCC2)C[C@]12CCCCC(=O)N2 1615192601 YGXNCKULNPKHIT-SIKLNZKXSA-N 356.510 3.856 0 40 FHAB Cc1ccccc1CN1CCC2(CC1)CC(=O)N(C)Cc1ccccc1N2 1615530425 WNAQPDJGBMQEMX-UHFFFAOYSA-N 363.505 3.804 0 40 FHAB CC(C)(C)CS(=O)(=O)N1CC(Cc2ccccc2)(c2ccccc2)C1 1662495171 YZMXRWUOZWTROI-UHFFFAOYSA-N 357.519 3.859 0 40 FHAB COc1cc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c(OC)cc1Cl 3179723 FPSSOHWUQPJFNA-GQCTYLIASA-N 361.781 3.738 0 40 FHAB COc1ccc(/C=C2\SC(=O)N(CNc3ccc(OC)cc3)C2=O)cc1 5006173 PDWDDSXNGCFYTF-BOPFTXTBSA-N 370.430 3.810 0 40 FHAB O=C(C1CCCCC1)N1CCC(c2nnsc2-c2ccncc2)CC1 12135310 WOXKECNZDBMHSQ-UHFFFAOYSA-N 356.495 3.886 0 40 FHAB Cc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3Cc2ccccc2)on1 13225914 WTDHAWPGBRCXQQ-QGZVFWFLSA-N 364.449 3.671 0 40 FHAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1cccc(Br)c1 15332055 VERIEZWUIGKDRS-SNVBAGLBSA-N 364.195 3.584 0 40 FHAB O=C(O[C@@H](C(=O)NCc1ccccc1)c1ccccc1F)c1ccco1 15936153 RCKDKFKUKHCOMS-GOSISDBHSA-N 353.349 3.633 0 40 FHAB CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2Cc1ccccn1 19017596 LWOHMXRMKOMQKE-DNVJHFABSA-N 363.505 3.841 0 40 FHAB O=C(C1CCCCC1)N1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 19345976 JUEYNNQVIKLRTR-OAHLLOKOSA-N 362.857 3.992 0 40 FHAB Cc1noc(CCC(=O)Nc2ccc3c(c2)ncn3C2CCCCC2)n1 19665204 KUIQVRBKYVJLCP-UHFFFAOYSA-N 353.426 3.804 0 40 FHAB CC(C)(C)NC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 26948831 DBEPLOCGEIEOCV-CZNJWJRSSA-N 372.553 3.815 0 40 FHAB biogenic COc1ccc([C@@H](NC(=O)NCc2ccc3c(c2)OCCO3)C(C)C)cc1 12972290 XCGNOCIWTNLWPW-FQEVSTJZSA-N 370.449 3.663 0 40 FHAB Cc1ccc2c(CC(=O)NCCN3CCc4ccccc4C3)coc2c1C 31337355 NIQVOKFLFDMCJG-UHFFFAOYSA-N 362.473 3.767 0 40 FHAB O=C(NC[C@H](c1ccsc1)N1CCC1)c1cc(Br)cs1 240122654 WFFOYVCHJJUNOC-GFCCVEGCSA-N 371.325 3.749 0 40 FHAB CC1(C)C[C@@]2(CCO1)OC(=O)C[C@@H]2C(=O)Nc1ccc(Cl)c(Cl)c1 1080443 NOZRZTYSEBUEFS-PIGZYNQJSA-N 372.248 3.823 0 40 FHAB Cc1ccc(C)c(Cn2cnc3c(cnn3-c3cccc(C)c3C)c2=O)c1 4479221 GKTKASNOYZNBCN-UHFFFAOYSA-N 358.445 3.864 0 40 FHAB CCc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc(F)c3)c2=O)cc1 4905825 AHFOZPXSOPPGMK-UHFFFAOYSA-N 374.415 3.902 0 40 FHAB COc1ccc(Cl)cc1-c1nnc(S)n1-c1ccc2c(c1)OCO2 8997583 NZFWZXRLZOBXIK-UHFFFAOYSA-N 361.810 3.614 0 40 FHAB Cc1ccc(N2C[C@@H](CNC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 9040403 LMGZLAGVVVJIOK-CQSZACIVSA-N 357.841 3.823 0 40 FHAB O=C(NCCC1=CCCCC1)c1cc(=O)c(OCc2ccc(F)cc2)co1 11856793 KBTFMHBXKOTZNJ-UHFFFAOYSA-N 371.408 3.978 0 40 FHAB Cc1ccn(-c2ccc(Nc3ccc(NC(=O)C4CCCC4)cc3)nn2)n1 13009613 WZRPRLUFIHNHTH-UHFFFAOYSA-N 362.437 3.843 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[C@@H](Oc2cnsn2)C1 1775967030 BWKGYMIHBYEPLS-SECBINFHSA-N 359.238 3.530 0 40 FHAB C[C@H](NC(=O)C(=O)NCc1cc(-c2ccoc2)cs1)c1ccccc1 1775970071 ZWUSUUPSIVLERI-ZDUSSCGKSA-N 354.431 3.502 0 40 FHAB COc1cc(NC(=O)c2cc3cnn(C(C)C)c3nc2C)cc(OC)c1 10409312 FLXBIVMDTAZODV-UHFFFAOYSA-N 354.410 3.590 0 40 FHAB CCCNC(=O)CN(CCC)C(=O)c1sc(-c2cccs2)nc1C 40155300 SYXMRNHLJVEZEM-UHFFFAOYSA-N 365.524 3.558 0 40 FHAB Oc1ccccc1C1=C[C@H](c2ccc(Br)cc2)n2ncnc2N1 100701155 HFGLOSSKYVCKOQ-OAHLLOKOSA-N 369.222 3.802 0 40 FHAB C[C@@H](c1nnc(-c2ccccc2)o1)N(C)CC(=O)Nc1cccc(F)c1 32739734 SUSXCOJSNFQQTA-ZDUSSCGKSA-N 354.385 3.507 0 40 FHAB CCOc1c(Br)cc(C(=O)Nc2nc(C)cs2)cc1OC 2628514 MPEVRBOIVOFNDF-UHFFFAOYSA-N 371.256 3.874 0 40 FHAB O=S(=O)(Nc1ncnc2sc3c(c12)CCC3)c1ccc(Cl)s1 2659514 PBWHFFIASCCHHV-UHFFFAOYSA-N 371.896 3.696 0 40 FHAB O=C(O)c1ccc(CSc2n[nH]/c(=N\c3cccc(Cl)c3)s2)o1 8718251 OOBNQLNDTQYAST-UHFFFAOYSA-N 367.839 3.941 0 40 FHAB COc1ccc2c(c1)Cc1sc(NC(=O)c3ccccc3OC)nc1-2 792526 SUTNMFDHIWKMAY-UHFFFAOYSA-N 352.415 3.984 0 40 FHAB Cc1cccc2cc(CN(Cc3ccccc3)C(=O)C(F)(F)F)c(=O)[nH]c12 1346761 JASLLFMWXCYJOK-UHFFFAOYSA-N 374.362 3.928 0 40 FHAB O=C(CC(=O)Nc1cccc(Cl)c1)CC(=O)Nc1cccc(Cl)c1 1718724 IBEAHXZLLFZMIR-UHFFFAOYSA-N 365.216 3.920 0 40 FHAB CC(C)C[C@H](CN(C)C)NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 78499837 ILBIJGHFEOWQAH-MRXNPFEDSA-N 363.889 3.630 0 40 FHAB CC1(O)C[C@@H]2CC[C@H](C1)N2C(=O)c1csc(-c2ccc(Cl)cc2)n1 79001295 RSOUSURHLTVHHV-UUVAVEHKSA-N 362.882 3.982 0 40 FHAB Cc1cc2cc3c(cc2nc1SCC(=O)N1CCCCCC1)OCCO3 4170960 UOUDBOHORCIRTK-UHFFFAOYSA-N 372.490 3.809 0 40 FHAB Cc1ccccc1C(=O)Nc1nc2ccc(N3CCOCC3)cc2s1 6422556 ZTXXVXFTCRISDD-UHFFFAOYSA-N 353.447 3.694 0 40 FHAB O=C(/C=C/c1ccco1)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 6885813 MYSAIPIPNRUOLS-ZHACJKMWSA-N 358.353 3.732 0 40 FHAB COc1ccccc1N1CCN(C(=O)CCCOc2ccc(C)cc2)CC1 7504714 GMWNYYMMABXTMG-UHFFFAOYSA-N 368.477 3.511 0 40 FHAB CCSc1ccccc1C(=O)NCc1nc(-c2ccc(OC)cc2)no1 7684467 FPAQMNDWJUMNPP-UHFFFAOYSA-N 369.446 3.787 0 40 FHAB Cc1cccc(-n2nnnc2SCCC(=O)Nc2ccc(F)cc2)c1C 12273996 NXSNSOXWCXOHPI-UHFFFAOYSA-N 371.441 3.539 0 40 FHAB N=C1C2=C3Nc4ccccc4C(=O)N3CCCC2=NN1c1ccc(F)cc1 33690855 DSJLNRWUKGDRGW-UHFFFAOYSA-N 361.380 3.552 0 40 FHAB CNCCCNCc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 8376960 LUVBSITYQFOSCZ-UHFFFAOYSA-N 366.864 3.766 0 40 FHAB Cc1cc(C(=O)CSc2ncc(F)c(N3CCCC3)n2)c(C)n1C1CC1 12322615 IHLVGNMNBIRGGX-UHFFFAOYSA-N 374.485 3.944 0 40 FHAB Cc1nccn1-c1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1F 54215638 NECJIFOKEYZZBW-UHFFFAOYSA-N 367.380 3.620 0 40 FHAB Cc1c(S(=O)(=O)c2ccccc2)c(NC(=O)C2CC2)n(C(C)C)c1C 12409999 SUXQBZPVLRIEAM-UHFFFAOYSA-N 360.479 3.867 0 40 FHAB Cc1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(C)(=O)=O)cc1 979003 DYGIZPVXTHBSCY-UHFFFAOYSA-N 368.458 3.553 0 40 FHAB O=C(NCCc1ccc(F)cc1)NCc1ccc(OCC(F)(F)F)cc1 23392478 HQRDDGHWTHKEPC-UHFFFAOYSA-N 370.346 3.809 0 40 FHAB COc1ccc(-n2ccnc(SCc3cccc(C)c3)c2=O)cc1OC 9761375 RLVNAYQFQOTIIK-UHFFFAOYSA-N 368.458 3.850 0 40 FHAB CCc1c([C@H](C)S(=O)(=O)c2ccccc2)[nH]c(=O)n1-c1ccc(C)cc1 1396060 YWNJUYDTHFUNOH-HNNXBMFYSA-N 370.474 3.571 0 40 FHAB Cc1cc(C)n(-c2ccc(CNC(=O)c3ccncc3)c(C(F)(F)F)c2)n1 60084539 UYNWDHKRNISMHS-UHFFFAOYSA-N 374.366 3.833 0 40 FHAB COc1ccc(NC(=O)N[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1 56345729 XBLGNJDLIIFDRW-LJQANCHMSA-N 367.449 3.571 0 40 FHAB Cc1noc(C)c1CCNCC1=Cc2cc(Br)ccc2OC1 107321389 IQFWVVIOIPHYHI-UHFFFAOYSA-N 363.255 3.662 0 40 FHAB O=C(Nc1nc2ccc(-n3cnnc3)cc2s1)c1ccc(Cl)cc1 57340581 GYAIVIMFJJGZIJ-UHFFFAOYSA-N 355.810 3.783 0 40 FHAB C[C@H]1CCCCN1[C@H](C)CNC(=S)NCCSc1ccccc1 109030888 VLNDUWHWWIRHLU-JKSUJKDBSA-N 351.585 3.506 0 40 FHAB COc1ccc(OC)c(NC(=O)Nc2sc(C(C)C)cc2C(N)=O)c1 27926345 LTANSSGVKINTKW-UHFFFAOYSA-N 363.439 3.632 0 40 FHAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(CN2CCOCC2)cc1 19683105 NRQDNDCTDFIMNZ-BJMVGYQFSA-N 356.853 3.824 0 40 FHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc2ccccc2n1 48231002 CPLCTNXFJOVNLZ-UHFFFAOYSA-N 362.364 3.995 0 40 FHAB CCOc1ccc(N2C[C@H](C(=O)Nc3cc(F)ccc3C)CC2=O)cc1 3345111 WUAQHXUBVQPZSC-CQSZACIVSA-N 356.397 3.524 0 40 FHAB Cc1cccc(OCC(=O)NC[C@H](c2cccs2)N2CCCC2)c1C 27582261 MRHTUYMPHOKXAI-QGZVFWFLSA-N 358.507 3.697 0 40 FHAB COC(=O)c1cc(CSc2nnc(COc3cccc(C)c3)o2)c(C)o1 58208667 QQSOHEGLUSCASP-UHFFFAOYSA-N 374.418 3.937 0 40 FHAB COc1cc2[nH]c3c(N4CCc5ccccc5C4)ncnc3c2cc1OC 2153370 NSBJDDCFSJGFDM-UHFFFAOYSA-N 360.417 3.691 0 40 FHAB biogenic CCS(=O)(=O)N1c2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2C[C@@H]1C 20448985 GQRPWDWVQQQKEI-HNNXBMFYSA-N 372.490 3.656 0 40 FHAB C[C@@H](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1 12758098 PBDDFQLFSNFTKL-LBPRGKRZSA-N 351.855 3.876 0 40 FHAB O=C(Nc1cccc(Cn2cccn2)c1)C1(c2ccccc2)CCOCC1 25133926 JTRMJNPGPQTPAZ-UHFFFAOYSA-N 361.445 3.618 0 40 FHAB CN(Cc1ccsc1)C(=O)COc1cc2ccccc2cc1C(=O)O 12745269 JNQXCJLCTRDLPU-UHFFFAOYSA-N 355.415 3.637 0 40 FHAB C[C@H](NC(=O)c1cc2ccccc2s1)c1ccc(S(C)(=O)=O)cc1 10968675 YWEWIXHSPJFBEQ-LBPRGKRZSA-N 359.472 3.796 0 40 FHAB CN(C)[C@H](CNC(=O)CSc1ccc(Cl)cc1)c1cccs1 12778334 ZEUPNZNLRSIGTB-CQSZACIVSA-N 354.928 3.913 0 40 FHAB CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)O 2583027 RUQLVQSODALTBB-KRWDZBQOSA-N 373.405 3.705 0 40 FHAB CCOc1cc2c(cc1NC(=O)COc1ccc(C(C)=O)cc1)O[C@H](C)C2 12875886 VNYPTFIWOHPEOU-CYBMUJFWSA-N 369.417 3.629 0 40 FHAB CC(C)N(C)c1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1F 46225505 AYOFYNPVOWDUIJ-UHFFFAOYSA-N 354.385 3.973 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)c1cccc(C(F)(F)F)c1 3421379 DCMUGTXNBBIINH-UHFFFAOYSA-N 352.312 3.925 0 40 FHAB Cc1nn(C)c2ncc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc12 12911971 HPYSCLWLJPVYFA-UHFFFAOYSA-N 358.829 3.726 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)cc1 3672617 OBKKUQJVTNZZKT-UHFFFAOYSA-N 363.446 3.556 0 40 FHAB Cc1ccccc1-n1nnn(CN(C)Cc2ccc(Cl)cc2)c1=S 13073091 DDOPVJRCFQAJBR-UHFFFAOYSA-N 359.886 3.850 0 40 FHAB CC1(C)c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CCCCC3)C(=O)N21 4029349 JHWKPXDWUDJCRM-KRWDZBQOSA-N 351.450 3.925 0 40 FHAB biogenic Cc1ccc(-c2nnn(CC(=O)Nc3c(Cl)cccc3Cl)n2)cc1 5491886 IFRFEEMZQLHRKZ-UHFFFAOYSA-N 362.220 3.594 0 40 FHAB CC(C)CCNC(=O)CSc1nn(-c2ccccc2)c(=S)s1 6543287 AWKSEFHXXNUKIA-UHFFFAOYSA-N 353.538 3.918 0 40 FHAB C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccs1 14602754 VJKARVIALLGVPW-CYBMUJFWSA-N 360.454 3.617 0 40 FHAB CCC[C@H](C)NC(=O)COC(=O)c1c(C)n(C2CC2)c2ccc(OC)cc12 14802795 VXINEPIGPHWZBO-ZDUSSCGKSA-N 372.465 3.755 0 40 FHAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cc(F)c(F)cc2Cl)[C@@H]1C 4847088 IVCNLWXIPVWAFA-IQMDTDKHSA-N 359.800 3.716 0 40 FHAB O=C(Cc1ccsc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 5895543 WDCGRGXKJKKTQG-UHFFFAOYSA-N 354.397 3.658 0 40 FHAB CC(C)C(=O)Nc1ccc(NCC(=O)N2CCSc3ccccc32)cc1 15328099 KJPHAZPMQRBIQV-UHFFFAOYSA-N 369.490 3.832 0 40 FHAB COc1cccc(CNCCO)c1OCc1ccc(Cl)cc1Cl 7003361 STOVNWFPOIOHKV-UHFFFAOYSA-N 356.249 3.663 0 40 FHAB COc1ccc(CC(=O)OCc2cc(=O)oc3cc(C)ccc23)cc1F 19475030 CGVZIYKCXFVMTK-UHFFFAOYSA-N 356.349 3.535 0 40 FHAB CC[C@H](CNC(=O)[C@H](C)Sc1nnc2n1CCCCC2)c1ccccc1 7313614 KWKVXGZBQRLWCE-JKSUJKDBSA-N 372.538 3.795 0 40 FHAB O=C(Nc1ccc(Br)cc1F)c1cc(=O)[nH]c2ccccc12 16050633 VVZUVBOHXBRLMW-UHFFFAOYSA-N 361.170 3.682 0 40 FHAB Cc1ccc(-c2cc(NC(=O)c3cc4ccccc4oc3=O)[nH]n2)s1 69389953 NKBKAUMRXRSBPD-UHFFFAOYSA-N 351.387 3.805 0 40 FHAB Cc1ccccc1N1C(=O)c2ccc(C(=O)N3CCCC[C@H]3C)cc2C1=O 9377832 JOSSRFYTURGJTE-OAHLLOKOSA-N 362.429 3.810 0 40 FHAB COc1ccc(-c2nc(C)sc2C(=O)N[C@@H]2CCOC(C)(C)C2)cc1 72402357 JJJJMQOSFPSXCJ-CQSZACIVSA-N 360.479 3.815 0 40 FHAB O=C1OC(c2cccs2)=N/C1=C/c1ccc(OC[C@H]2CCCO2)cc1 96939584 MGAQMCRHDWAGKX-YLQKULKDSA-N 355.415 3.650 0 40 FHAB C[C@](O)(c1ccc(OCC(=O)Nc2cccc(F)c2)cc1)C(F)(F)F 84651590 CKGOGGIEDYJJFM-INIZCTEOSA-N 357.303 3.613 0 40 FHAB COc1ccc([C@@H](O)[C@@H](C)NC(=O)c2ccc3ccc(Cl)cc3n2)cc1 95444115 FEXNNMUZIBNBRX-BLVKFPJESA-N 370.836 3.749 0 40 FHAB CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(OC)cc1Cl 75107627 ZXQLZXGZOJJSOE-AQKDONEWSA-N 358.891 3.550 0 40 FHAB COc1cc(Cl)cc2c1O[C@@H](C)C(=O)N(c1c(F)cccc1F)C2 75165559 KBOOBQSUGHMPTN-VIFPVBQESA-N 353.752 3.941 0 40 FHAB O=C(Nc1ccnn1Cc1ccccn1)NC1(c2cccc(Cl)c2)CC1 89883783 MCIYXQDPANTGGU-UHFFFAOYSA-N 367.840 3.791 0 40 FHAB O=Cc1cc(Br)c(Sc2nnc(Cc3ccccc3)o2)o1 408550250 BXGCAOFLBWRVME-UHFFFAOYSA-N 365.208 3.980 0 40 FHAB O=C1N/C(=C/c2ccc(Br)o2)C(=O)N1c1ccc(Cl)cc1 409173707 QMRJWIYYSRYDIQ-YRNVUSSQSA-N 367.586 3.793 0 40 FHAB O=C(NCCCCc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 408706689 CHPKMGKZJUBDRC-QGZVFWFLSA-N 370.880 3.832 0 40 FHAB CCCSC1=NC(C)=C(C(N)=O)[C@H](c2cccc(Cl)c2Cl)N1 408985983 BOQDGQJRYXOZEK-ZDUSSCGKSA-N 358.294 3.896 0 40 FHAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 409019179 IJSUICOXSVCRFQ-UGZWPXFQSA-N 374.245 3.981 0 40 FHAB COc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc(OC)c1O 409111620 BDHYKWZTXBZCPA-SXGWCWSVSA-N 353.418 3.953 0 40 FHAB CC(C)(C)c1ccc(NC(=O)C[C@H]2NC(=O)c3ccccc3N=C2O)cc1 36595007 JJZVKKDYHMLIPC-QGZVFWFLSA-N 365.433 3.713 0 40 FHAB O=C(NCC1C2CC3CC(C2)CC1C3)N[C@H]1CCCO[C@@H]1c1ccncc1 507501275 CZMUKWFZMLMXCG-NHICJMFMSA-N 369.509 3.673 0 40 FHAB Cc1ccc2cc(C(=O)N(CCN(C)C)Cc3ccccc3F)ccc2n1 533451389 ZFZDGOYDSSNLEJ-UHFFFAOYSA-N 365.452 3.886 0 40 FHAB COc1ccc(NC(=O)CSCc2cc(=O)c3cc(F)ccc3[nH]2)cc1 33063875 SWOCRLOIEBEREI-UHFFFAOYSA-N 372.421 3.548 0 40 FHAB O=C(NCCCc1ccsc1)c1cnc(-c2ccc3c(c2)OCO3)s1 1540080974 AGUDRYXSDQZWEA-UHFFFAOYSA-N 372.471 3.963 0 40 FHAB Cn1ncc2c(C(=O)Nc3cc(-c4ccccc4)no3)cc(C3CC3)nc21 36616793 KETXEIFFAHWBOW-UHFFFAOYSA-N 359.389 3.753 0 40 FHAB CC(C)OC[C@H](O)Cn1c([C@@H](C)Oc2ccccc2)nc2ccccc21 76555460 DAPXSRDHPJUXQU-IAGOWNOFSA-N 354.450 3.962 0 40 FHAB Cc1cccc(C(=O)N2[C@H](C(=O)O)COC23CCC(C(C)(C)C)CC3)c1 71980526 LOTPWWIBICCYCE-BATSVXPKSA-N 359.466 3.853 0 40 FHAB CCc1nccn1-c1cccc([C@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 72378889 NEONTRFLGXIISI-IBGZPJMESA-N 374.488 3.778 0 40 FHAB CCCc1c(NC(=O)N2CCC[C@@H](CC(=O)O)C2)cnn1-c1ccccc1 563692215 RJWXYMADSZWATK-HNNXBMFYSA-N 370.453 3.543 0 40 FHAB C[C@@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccc2c(c1)OCCO2 222736870 JAALRWSFYIKMGC-OAHLLOKOSA-N 367.445 3.593 0 40 FHAB O=C(NCC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(F)c1 42645722 FILDWBLELHLGOC-UHFFFAOYSA-N 362.404 3.713 0 40 FHAB Cc1cc(C(=O)N2CCN=C(O)C[C@@H]2c2ccccc2)nn1[C@H](C)C1CC1 329518348 ZIOIQMAGMRMOOR-DNVCBOLYSA-N 366.465 3.706 0 40 FHAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cnc(C3CC3)nc2C)CC1 222567060 FLJYPDQPOAKGPA-UHFFFAOYSA-N 370.884 3.587 0 40 FHAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(CCOC)c1C 222871079 HJOVKRHGXMSZFH-RTBURBONSA-N 372.538 3.529 0 40 FHAB COC[C@@H](C)NC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2)c1 224200125 GRHSLCGGRSTGDK-MRXNPFEDSA-N 357.450 3.656 0 40 FHAB CCN(c1ccc(C(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccccc1 224352937 ZUHMOPOOEBMDMD-UHFFFAOYSA-N 372.490 3.528 0 40 FHAB Cc1ccc(C)c(OCCNC(=O)C2CCN(Cc3ccccc3)CC2)c1 224027538 WQOLZPMYAUGZDC-UHFFFAOYSA-N 366.505 3.711 0 40 FHAB Cc1ncsc1CN1CCN(C)C[C@@H](Cc2cccc3cccnc23)C1 257232500 GLCFYUSOKQDYGX-QGZVFWFLSA-N 366.534 3.606 0 40 FHAB CC(C)(C)C(=O)N1CC[C@@H](c2ccnc3ncc(-c4ccc(F)cc4)n23)C1 257343292 ZSHKIWSBCFZXGC-OAHLLOKOSA-N 366.440 3.897 0 40 FHAB Cc1noc(C)c1CCc1nc(-c2ccc(N3CCCCC3)nc2)no1 109566750 NADHMYUMNDYVMP-UHFFFAOYSA-N 353.426 3.512 0 40 FHAB CC(=O)N[C@H](CC(=O)N1c2ccccc2N(C)CC[C@@H]1C)c1cccs1 607714458 XBMDEBISBRKVMM-GOEBONIOSA-N 371.506 3.577 0 40 FHAB Cc1ccn(C)c(=O)c1NC(=O)NCC(C)(C)c1ccc2ccccc2c1 626431329 PIKBZORTVPFGBT-UHFFFAOYSA-N 363.461 3.946 0 40 FHAB CC[C@H]1C[C@@H](NC(=O)N2CCC3(C=Cc4ccccc4O3)CC2)CCO1 665171333 XFGIOHDTQISNEM-ROUUACIJSA-N 356.466 3.594 0 40 FHAB CC[C@H](CNC(=O)c1csc(-c2ccc(Cl)cc2)c1)C(=O)OC 1299897852 XQBJVUIAUSMRCQ-LLVKDONJSA-N 351.855 3.998 0 40 FHAB Cc1ccc2c(c1)[C@H]1NC(=O)N(Cc3cccs3)[C@@]3(CCCO[C@@H]13)O2 1776005916 PXFFWHVWWRODKE-AOIWGVFYSA-N 356.447 3.591 0 40 FHAB COc1ccc(-c2n[nH]cc2CN2CCCC[C@H](N3CCCC3)C2)cc1 92785877 VHSURMPIPXHJHP-IBGZPJMESA-N 354.498 3.536 0 40 FHAB Cc1noc(C)c1Cc1noc([C@H]2CCN(c3ccccc3Cl)C2)n1 558519054 FHXCOBHHRVOIBK-ZDUSSCGKSA-N 358.829 3.913 0 40 FHAB Cc1ccc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2ccc(F)c(F)c2)C3)nc1 12135277 JRTPFWMTUQRAGQ-QRTHJKPMSA-N 358.432 3.788 0 40 FHAB COc1ccccc1C[C@@H](C)NC(=O)c1cc(=O)c2cc(C)c(C)cc2o1 12196952 YVVZLFZTEOLBPA-OAHLLOKOSA-N 365.429 3.779 0 40 FHAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 12198491 XSDJARHZQAXLKN-UHFFFAOYSA-N 372.490 3.739 0 40 FHAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)C2CCCC2)C1 12221137 SAWVRKMYEONVBC-GOSISDBHSA-N 350.466 3.859 0 40 FHAB COc1cc(C(=O)NC2CCC(C)CC2)cc(OC)c1Br 13003697 QZDDGJRSQPVZQL-UHFFFAOYSA-N 356.260 3.775 0 40 FHAB O=C(COC(=O)/C=C/c1cccc2cccnc12)Nc1ccc2c(c1)CCC2 14811769 BYPLTQYIZNRYQN-ZRDIBKRKSA-N 372.424 3.919 0 40 FHAB O[C@H](CN1CCN(c2ccccc2Cl)CC1)c1c[nH]c2ccc(F)cc12 19349902 DWNZBMSYEMWSOO-HXUWFJFHSA-N 373.859 3.816 0 40 FHAB C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1Cc1nc(C(=O)O)co1 629377203 MAHLQDBZOSWSGG-PWSUYJOCSA-N 365.227 3.513 0 40 FHAB FC(F)(F)c1ccc(CN2CCC[C@H](COc3ncccn3)C2)cc1 1888863709 ZCJSBHHLHKHWDM-HNNXBMFYSA-N 351.372 3.786 0 40 FHAB Cc1cccc(OC[C@H]2CCCN(C(=O)C3CCC(F)(F)CC3)C2)n1 1775995593 ASRPONWEVVEFAO-HNNXBMFYSA-N 352.425 3.833 0 40 FHAB CC1(C)C[C@@H]2CN(C(=O)CC3CCOCC3)CC[C@@H]2N1c1cccc(F)c1 2037978434 WBKHDIWCJPMCQQ-XLIONFOSSA-N 374.500 3.848 0 40 FHAB O=C(c1cc[nH]c1)N1CC[C@@]2(c3ccc(-c4ccoc4)cc3)CCOC[C@@H]12 1565551581 SSFHTJKNJJJNBS-IRLDBZIGSA-N 362.429 3.848 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCN=C2S[C@@H](C)c2ccccc2)cc1 2711455 DAXHBRIFQZHSFA-HNNXBMFYSA-N 360.504 3.850 0 40 FHAB Cc1nc2ccccc2n1C1CN(C(=O)Cc2c(F)cccc2Cl)C1 1775973469 DDAJGLZIEQUZHM-UHFFFAOYSA-N 357.816 3.763 0 40 FHAB Cc1nn(-c2ccc(C(=O)NCc3cccc(Cl)c3)cn2)c(C)c1C 49407402 XVRMGDGZTYOVLB-UHFFFAOYSA-N 354.841 3.776 0 40 FHAB Brc1cccc([C@H]2C[C@@H](c3ccccc3)n3nnnc3N2)c1 13123719 BIFUUINQYFIGMS-CABCVRRESA-N 356.227 3.582 0 40 FHAB Nc1cccc(S[C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)c1 113561834 XLCUESKGZQJTBL-CQSZACIVSA-N 366.364 3.712 0 40 FHAB Cc1nc(-c2ccc(OC(=O)c3cnc4c(cnn4C(C)C)c3)cc2)no1 40024510 DVIVOHBLKNGTEU-UHFFFAOYSA-N 363.377 3.590 0 40 FHAB COc1ccc(CNC(=O)NCc2nc(-c3ccccc3)c(C)s2)cn1 50096773 KWBBADWMQCJFCI-UHFFFAOYSA-N 368.462 3.522 0 40 FHAB COC(=O)c1cnc(NC(=O)[C@H](C)Oc2cccc(C(C)(C)C)c2)s1 40141632 SDPDUVOKGATYDS-NSHDSACASA-N 362.451 3.633 0 40 FHAB Cc1cc(SCC(=O)NC[C@H](C)c2nc3ccccc3s2)nc(C)n1 50248145 WYQZZSLMXODBFM-NSHDSACASA-N 372.519 3.715 0 40 FHAB CCCC[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2ON1c1ccccc1 101065681 PRSOMMYGWKCUOK-QRVBRYPASA-N 350.418 3.555 0 40 FHAB O=C(Nc1ccc(F)c(F)c1)[C@H]1CC(O)=Nc2cc(-c3ccccc3)nn21 20731211 JCNSDRUYUCEADY-MRXNPFEDSA-N 368.343 4.000 0 40 FHAB O=C(COC(=O)C1(c2ccccc2)CC1)c1ccc(Br)s1 20863602 PWOCASOZTPUBNI-UHFFFAOYSA-N 365.248 3.968 0 40 FHAB Cc1nc(C)c(-c2nnc(NC(=O)COc3ccc(C(C)C)cc3)o2)s1 41097814 TZSZVUAXEWESRP-UHFFFAOYSA-N 372.450 3.951 0 40 FHAB C[C@@H](OC(=O)c1ccc(NC(N)=O)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 32945542 LFPUZDIZSZIGTH-CSNVJCEJSA-N 370.449 3.508 0 40 FHAB Oc1nc(CN(Cc2cccs2)C[C@@H]2CCCO2)nc2ccsc12 17307985 ILXJLKCZGFGOHZ-LBPRGKRZSA-N 361.492 3.640 0 40 FHAB O=C1C[C@@H](N2CCc3ccccc32)C(=O)N1c1cc(Cl)cc(Cl)c1 1000176 BRAYFQBTHPPVDA-MRXNPFEDSA-N 361.228 3.688 0 40 FHAB Fc1ccc(-c2oncc2-c2nnnn2-c2ccc(Cl)cc2)cc1F 2388837 PPGYRDDZFQXWBX-UHFFFAOYSA-N 359.723 3.916 0 40 FHAB Cc1ccc(C(=O)[C@@H](OC(=O)C2=COCCO2)c2ccc(C)cc2)cc1 3536369 UZDMLKQGPADDHL-FQEVSTJZSA-N 352.386 3.659 0 40 FHAB COc1cccc(C(=O)/N=c2\sc(C)c(-c3ccc(F)cc3)n2C)c1 687685 NUOZELTYFPSXIO-VZCXRCSSSA-N 356.422 3.951 0 40 FHAB C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1 6929872 NZTBZPFZKRUPMO-LPHOPBHVSA-N 368.477 4.000 0 40 FHAB Cc1ccc(C)c(C(=O)CCC(=O)NCc2ccccc2CN(C)C)c1 6992727 RPVMSMGFPBJHNC-UHFFFAOYSA-N 352.478 3.644 0 40 FHAB Cc1cnc(NC(=O)c2ccc(C(=O)Nc3ncc(C)s3)cc2)s1 22699637 USZYFUUEDBSOCQ-UHFFFAOYSA-N 358.448 3.721 0 40 FHAB O=C1C[C@H](Nc2ccc(F)cc2)C(=O)N1c1ccc(SC(F)F)cc1 101130761 LRFSJEPLNWETRK-AWEZNQCLSA-N 366.364 3.884 0 40 FHAB COc1ccc([C@@H]2CCCN2CC(=O)N[C@H](C)c2ccccc2)c(OC)c1 103972314 OOTFVZXBRQSGDV-UZLBHIALSA-N 368.477 3.718 0 40 FHAB Cc1cc2c(s1)N[C@H]1SCC(c3cc(F)ccc3F)=NN1C2=O 12357586 VZIDIPFICZNYHB-OAHLLOKOSA-N 351.403 3.637 0 40 FHAB CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1 23078448 CUIUGCOOLYATSK-LBPRGKRZSA-N 373.280 3.597 0 40 FHAB COc1cccc(NC(=O)CN(C)C(=O)c2cc3c(s2)CC[C@H](C)C3)c1 8031293 MGCVZTKFOZOYGO-ZDUSSCGKSA-N 372.490 3.592 0 40 FHAB O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc2c(c1)OCCO2 911477 JUTWIIHLANCAHG-UHFFFAOYSA-N 373.368 3.913 0 40 FHAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)C1 10640637 QNKQEPLAGJAFKE-GOEBONIOSA-N 368.477 3.708 0 40 FHAB COc1cc(CN2[C@@H]3CC[C@@H]2c2cnc(C)nc2C3)ccc1OC(C)C 100189526 KNBBZRNIMQATMF-VQIMIIECSA-N 353.466 3.843 0 40 FHAB CSCC[C@H]1NC(=S)N([C@@H](C)c2ccccc2C(F)(F)F)C1=O 58377658 QVZWGEQGDDIRBH-JOYOIKCWSA-N 362.442 3.605 0 40 FHAB CC(=O)CCc1ccc(OC[C@@H](O)Cn2cnc3cc(C)c(C)cc32)cc1 24097751 TTYMZKZJHNRBCH-IBGZPJMESA-N 366.461 3.615 0 40 FHAB CC(C)n1ncc2cc(C(=O)N[C@H]3CCC[C@@H](C(F)(F)F)C3)cnc21 25145524 BRGQXCIHLZUDDR-KGLIPLIRSA-N 354.376 3.863 0 40 FHAB CN(CC(=O)NCCC1=CCCCC1)Cc1ccccc1N1CCCC1 12523453 VYQIFPGIUOLXPO-UHFFFAOYSA-N 355.526 3.725 0 40 FHAB O=C(CCc1nc2ccccc2[nH]1)NCc1ccccc1OC(F)(F)F 12539761 JURVYNHLQVANCK-UHFFFAOYSA-N 363.339 3.711 0 40 FHAB COc1cccc(/C=C/C(=O)OCC(=O)c2ccc(Cl)s2)c1OC 3286260 XCJNZANEOJTRDH-RMKNXTFCSA-N 366.822 3.858 0 40 FHAB COc1ccc(C(C)=O)cc1CC(=O)Nc1cc(Cl)c(N)c(Cl)c1 24060407 GHQOKLLMSNKEDA-UHFFFAOYSA-N 367.232 3.968 0 40 FHAB O=C(CCc1cnn(-c2ccccc2)c1)Nc1cccc(N2CCCC2=O)c1 12683781 NIEVBGKBDVVHKF-UHFFFAOYSA-N 374.444 3.570 0 40 FHAB CN(C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2)[C@H]1CCCCNC1=O 58309587 JSMPLGGYZMDZOE-GJZGRUSLSA-N 362.539 3.640 0 40 FHAB Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1ccsc1 10543238 GYWMMMPCZWKUPK-UHFFFAOYSA-N 367.268 3.578 0 40 FHAB CCOc1ccc2oc(C(=O)NC[C@H](c3ccco3)N(C)C)c(C)c2c1 3339481 NJCFXGYNUBRVHF-MRXNPFEDSA-N 356.422 3.766 0 40 FHAB CC[C@@](C)(C(=O)NC1CCCC1)N(C(=O)c1ccccn1)c1ccccc1 2457415 HZLVNLDABBFDQW-QFIPXVFZSA-N 365.477 3.956 0 40 FHAB CC(C)(C)OC(=O)NCCC(=O)NCC1(c2ccc(F)cc2)CCCC1 48310126 LCZYFGNWHJENNV-UHFFFAOYSA-N 364.461 3.669 0 40 FHAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2nc3ccccc3s2)C1=O 3592559 ZGVCHENFDOBKNW-SFHVURJKSA-N 371.849 3.917 0 40 FHAB CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cc(C)ccc2O)cc1 12927233 JIAXTCCTQQWAME-AWEZNQCLSA-N 369.417 3.867 0 40 FHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 13006661 OSYTXXIZUWFDCT-CRAIPNDOSA-N 353.466 3.510 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 8722806 HPPKWSBYJVWWPV-MRXNPFEDSA-N 352.434 3.637 0 40 FHAB Cc1sc2ncn(CC(=O)N(Cc3ccccc3)C(C)C)c(=O)c2c1C 6110969 DEYMLTJNISMLRL-UHFFFAOYSA-N 369.490 3.512 0 40 FHAB C[C@@H](NC(=O)c1ccc(C(N)=S)cc1)c1ccc(C(F)(F)F)cc1 65552620 UNAVCPPSMCJAAY-SNVBAGLBSA-N 352.381 3.831 0 40 FHAB C=Cc1ccc(Cn2c(=O)n3nc(CC(C)C)nc3c3ccccc32)cc1 65534974 JHZDFILSGDYRQS-UHFFFAOYSA-N 358.445 3.934 0 40 FHAB CCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nnc1-c1ccoc1C 5364786 BXNLPXPDLDYVLL-ZDUSSCGKSA-N 356.451 3.986 0 40 FHAB CC(C)Oc1ccc([C@H](CC(=O)N2CCOCC2)c2ccc(F)cc2)cc1 5478668 OHFJKFVPTZBWFE-OAQYLSRUSA-N 371.452 3.994 0 40 FHAB O=C(Nc1cc2c(cc1Br)OCCO2)c1ccc(F)cc1F 6649329 XVAMBJMLTZHDIC-UHFFFAOYSA-N 370.149 3.751 0 40 FHAB CCOc1ccc(C(=O)Nc2nonc2-c2ccc(OCC)cc2)cc1 6767579 OHKRMHMCZCHLHB-UHFFFAOYSA-N 353.378 3.786 0 40 FHAB CCCCn1c(O)c(C(=O)NCc2ccc(F)cc2)c(=O)c2ccccc21 5737701 DIJJXRKLKPKNQC-UHFFFAOYSA-N 368.408 3.576 0 40 FHAB CCOC(=O)[C@@H](C)Oc1ccc(Oc2coc3cc(O)ccc3c2=O)cc1 5901049 OFHJBEYLFNWJLA-GFCCVEGCSA-N 370.357 3.621 0 40 FHAB biogenic C[C@H](Sc1nnc(-c2ccccc2)n1C)c1nc2ccccc2c(=O)[nH]1 5903031 SWWNMTQJTSKQMF-LBPRGKRZSA-N 363.446 3.572 0 40 FHAB CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1cccc(OC)c1 9158535 OBXRYFWNLHYZHK-UHFFFAOYSA-N 350.418 3.507 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)Sc2nnc(Nc3ccccc3)s2)no1 7206269 QWRSQSLTGDDDEI-SNVBAGLBSA-N 361.452 3.697 0 40 FHAB O=C(Nc1nc(-c2cc(F)ccc2F)cs1)[C@@H]1COc2ccccc2O1 7723927 PKHHUCCCOLJJHY-INIZCTEOSA-N 374.368 3.867 0 40 FHAB Nc1ccc(Cl)cc1C(=O)OCC(=O)N1CCC[C@@H]1c1cccs1 9315322 MGMQUDLUCKZTSF-CQSZACIVSA-N 364.854 3.504 0 40 FHAB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)NC3CCCCC3)n2)cc1 8484132 KBQZAOQFZRUOLE-ZDUSSCGKSA-N 358.511 3.964 0 40 FHAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1N 20344980 GRSKNTJMYJYYDB-VIFPVBQESA-N 355.221 3.990 0 40 FHAB O=C(CCNC(=O)c1ccco1)N[C@@H](c1ccc(F)cc1)c1cccs1 9500924 SJFPSGUCAAFQNE-SFHVURJKSA-N 372.421 3.506 0 40 FHAB CO[C@H]1CCCC[C@H]1OC(=O)Cn1c(SC(F)F)nc2ccccc21 83897720 OFLGPERNENDQPK-UONOGXRCSA-N 370.421 3.852 0 40 FHAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cc(Cl)ccc1F 9711282 AKQRODSQECDQKM-UHFFFAOYSA-N 357.776 3.720 0 40 FHAB COc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccc(C)c(O)c3)o2)cc1 9737291 PBNZYXXHKMKWRJ-GFCCVEGCSA-N 354.362 3.677 0 40 FHAB CCc1sc(C2=N/C(=C/c3ccc(NC(C)=O)cc3)C(=O)O2)cc1C 96997844 VZPDJPZMVMSRSY-XNTDXEJSSA-N 354.431 3.922 0 40 FHAB O=C([C@H]1CSc2ccccc2O1)N1CCC(c2ccc(O)cc2)CC1 84583018 YULXIQYNWLTCKV-GOSISDBHSA-N 355.459 3.652 0 40 FHAB Cc1cc(NC(=O)N2CC[C@H](CN3CCCC3)C2)ccc1Br 95406045 KNIOVEVCQOEOIV-CQSZACIVSA-N 366.303 3.707 0 40 FHAB CC(C)c1cc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)n(-c2ccccc2)n1 95474672 FQYHUSDAYMMPIR-VGSWGCGISA-N 367.493 3.763 0 40 FHAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cn2cccn2)o1 27981349 VUGVQIGTBJTVOW-UHFFFAOYSA-N 351.284 3.675 0 40 FHAB CC(C)C[C@@H]1C[C@H](NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)CCO1 95991256 GBDRYSFGGLBQCB-QZTJIDSGSA-N 369.465 3.938 0 40 FHAB O=C(CN1C(=O)c2ccccc2N[C@H]1c1ccccc1)Nc1ccccc1O 61721003 DUIKETJLVMGYDB-OAQYLSRUSA-N 373.412 3.597 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(CN2CCCCC2)cc1 21637663 SUNWIJWNXZZJQX-GOSISDBHSA-N 352.478 3.756 0 40 FHAB O=C(O)c1ccc(OCc2ccccc2F)c(I)c1 39951860 WMFISHPEEJYFCA-UHFFFAOYSA-N 372.133 3.708 0 40 FHAB CC(=O)NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 32114788 MHBYXPPJACSMCH-UHFFFAOYSA-N 367.430 3.826 0 40 FHAB COc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(F)cc3)n2C)cc1 409193193 FAAQPCHNXHHZHQ-VZCXRCSSSA-N 356.422 3.951 0 40 FHAB c1ccc(CCSCc2nnc3sc(-c4ccncc4)nn23)cc1 1501039951 OUVUXERDWLPBDG-UHFFFAOYSA-N 353.476 3.724 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C 32585952 PDFPBQZLMTWBSR-UHFFFAOYSA-N 361.341 3.703 0 40 FHAB O=C(Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cs1)C1CCC1 35316043 YCHVHAUKIXQXLV-UHFFFAOYSA-N 367.474 3.848 0 40 FHAB Cc1cc(Oc2ccccc2F)nc([C@H]2CCCN2Cc2cncn2C)n1 72384436 GJGSDDINVJXFTP-QGZVFWFLSA-N 367.428 3.787 0 40 FHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1ccccc1 219490462 RCJCGRVCKJNKCN-KSSFIOAISA-N 355.434 3.881 0 40 FHAB Cc1nc(N2CCOCC2)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72219654 WVBJEMJUYMPBPJ-QGZVFWFLSA-N 361.486 3.689 0 40 FHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 219599820 NDLNYVRVHNRXPY-GOSISDBHSA-N 365.433 3.861 0 40 FHAB O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN1C(=O)c1ccoc1 33134490 LWAOMWYUPIMIHZ-AWEZNQCLSA-N 353.205 3.830 0 40 FHAB Brc1ccc(OCCSC2=N[C@@H]3CCCC[C@@H]3N2)cc1 14196656 PPILQTAUVKFEMP-OKILXGFUSA-N 355.301 3.832 0 40 FHAB COC(=O)c1cc(NC(=O)c2ccc(Cn3ccnc3)cc2)ccc1Cl 30938943 VULZGBACZGATSO-UHFFFAOYSA-N 369.808 3.624 0 40 FHAB O=C1C[C@]2(CC[C@@H]3[C@@H](C(=O)NCc4cccc(F)c4)[C@@H]32)Oc2ccccc21 72334257 ALNBJXJLAPYGHK-ZEFBCVDJSA-N 365.404 3.502 0 40 FHAB O=C(Nc1ccc(F)c(C2CC2)c1)N1CCC[C@H](N2CCCC2=O)CC1 565882223 ZCDLEMHHGNPEKF-INIZCTEOSA-N 359.445 3.712 0 40 FHAB Cc1cc(N2Cc3ccccc3C2)nc(NC(=S)NC2CCCCC2)n1 226009186 GTGBUVBVWZOTNH-UHFFFAOYSA-N 367.522 3.924 0 40 FHAB Cc1ccccc1CS(=O)(=O)NCc1ccc(CN2CCCCC2)cc1 44874780 ICXXJJDHWSSDFU-UHFFFAOYSA-N 372.534 3.601 0 40 FHAB COc1ccc(-c2cc(C(=O)NCCCc3cccc(F)c3)no2)cc1 223273790 PYSLDYXHPXBJKJ-UHFFFAOYSA-N 354.381 3.852 0 40 FHAB O=C(C1c2ccccc2Oc2ccccc21)N1CCC2(CC1)OCCCO2 75156646 KUZNBKTXDZWHQP-UHFFFAOYSA-N 365.429 3.680 0 40 FHAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccc2c(c1)OCCO2 225703643 GYIDWCMLMGDHFE-KRWDZBQOSA-N 370.474 3.830 0 40 FHAB COCCn1ccc2cc(C(=O)NCCc3c[nH]c4ccccc34)ccc21 85879230 TVXMHURZPMOZOK-UHFFFAOYSA-N 361.445 3.742 0 40 FHAB biogenic C[C@H](NC(=O)Nc1ccc(I)cc1)c1ccco1 48366834 IVMTVOJYYDVAOL-VIFPVBQESA-N 356.163 3.767 0 40 FHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(OC)c(F)c1 225394443 VSSZIWPPXGRBFH-INIZCTEOSA-N 359.397 3.875 0 40 FHAB Cc1ccc(-c2nnc(NS(=O)(=O)Cc3ccccc3F)s2)cc1 223342738 AGPNUKIAGVYRDY-UHFFFAOYSA-N 363.439 3.595 0 40 FHAB Cc1ccc(CN2CCC3(CC2)C[C@@H](OCC2CCOCC2)CO3)cc1 96106689 NFHKUMSXRVXOSM-OAQYLSRUSA-N 359.510 3.562 0 40 FHAB C[C@@H](NC(=O)c1cccs1)c1c(-c2ccc(F)cc2)noc1C(=O)O 96296857 LONSNONCGPQIAZ-SECBINFHSA-N 360.366 3.731 0 40 FHAB biogenic,in-vitro CCOC[C@H]1CN(Cc2cccnc2)Cc2cnn(CC3CCCC3)c21 96198446 ZREJVDJQZRQGNZ-HXUWFJFHSA-N 354.498 3.604 0 40 FHAB Cc1cccc(NC(=O)N2CC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c1 96238761 TZSCJDMAMDZEBB-NRFANRHFSA-N 367.424 3.795 0 40 FHAB COc1nccc(NC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)n1 585080448 USBOKLUOUBMZJK-MRXNPFEDSA-N 351.410 3.726 0 40 FHAB CCCN(CCN1CCCC1)C(=O)c1cc(C)nc2c1cnn2[C@@H](C)CC 585082499 ZQCMNDWBGRLZMP-KRWDZBQOSA-N 371.529 3.659 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)[C@@H]1C[C@H]2C=C[C@H]1C21CC1 253479413 QHCPPUOIEZOESK-XFQXTVEOSA-N 365.452 3.847 0 40 FHAB Cc1cc(C=O)cc(C)c1OS(=O)(=O)c1ccc(Br)cc1 256053094 PZGKTSWAADSTTL-UHFFFAOYSA-N 369.236 3.646 0 40 FHAB CC(C)c1ccc(OCCc2cc([C@@H]3CN(CC4CC4)CCO3)n[nH]2)cc1 257224820 FDNCDGRYLLTCBF-QFIPXVFZSA-N 369.509 3.938 0 40 FHAB COC1([C@H](C)NC(=O)c2ccc3c(c2)nc(O)n3C2CCCC2)CCC1 665662180 OQVITEUGAIQJGC-ZDUSSCGKSA-N 357.454 3.544 0 40 FHAB COc1ccccc1C(=O)NCC1(Sc2ccccc2)CCOCC1 96330992 RFMCALBRSMMVNV-UHFFFAOYSA-N 357.475 3.767 0 40 FHAB Cc1ccc(Br)cc1NC(=O)N=c1[nH][nH]c(C(C)C)c1C 646229805 QGKHHQUNEKUXPE-UHFFFAOYSA-N 351.248 3.978 0 40 FHAB Cn1c(SCc2ccccc2)nnc1[C@H]1CCCN1C(=O)C1CCCC1 5001650 LTZMJSWIWMJKGJ-QGZVFWFLSA-N 370.522 3.961 0 40 FHAB Cc1cc2nc(C3CCN(C(=O)C4CCC4)CC3)cc(C(F)(F)F)n2n1 12186683 BUDFYGWVDAVTDK-UHFFFAOYSA-N 366.387 3.563 0 40 FHAB c1ccc(-c2nc(N3CCNCC3)c3c4c(sc3n2)CCCC4)cc1 13998061 KBOHHPDLTRMPFU-UHFFFAOYSA-N 350.491 3.647 0 40 FHAB CCc1nc2c(n1C(C)=O)SC(c1ccc(Cl)cc1)=NN2C(C)=O 16777575 LQGXHOTXLUPYLT-UHFFFAOYSA-N 362.842 3.579 0 40 FHAB Cc1cc2nc([C@@H]3CCCN(Cc4ccccc4Cl)C3)cc(N)n2n1 19129313 UYXMQTCKUJGEQX-OAHLLOKOSA-N 355.873 3.653 0 40 FHAB Cc1ccc([C@@H](NC(=O)[C@H](C)Cn2cc(Cl)cn2)c2cccnc2)cc1 19136572 IYIFACMFHWVBBV-DNVCBOLYSA-N 368.868 3.782 0 40 FHAB CCCN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O 6323868 WQGANZGEPZNCKF-XFFZJAGNSA-N 371.212 3.804 0 40 FHAB COC(=O)c1ccc(OCc2ccc(Br)cc2)c(OC)c1 3520285 NEPGUCZIXWCTHL-UHFFFAOYSA-N 351.196 3.823 0 40 FHAB O=C(COC(=O)CSc1ccc(Cl)cc1)Nc1ccc(Cl)cn1 6887154 WORNJAAXXSCLAP-UHFFFAOYSA-N 371.245 3.662 0 40 FHAB Cc1ccc(N(C)S(=O)(=O)c2ccc(Br)cc2)c(C)c1 48441992 RVQZMQOLLPTNIL-UHFFFAOYSA-N 354.269 3.891 0 40 FHAB Cc1cc(Br)cnc1N1CCC[C@H](N(C)C(=O)C(C)(C)C)C1 2086949974 NZSIFCUBXGZKLH-AWEZNQCLSA-N 368.319 3.626 0 40 FHAB COc1ccc(N2C[C@@H](NC(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1 4373573 XDSQSIVRDYGYOI-AWEZNQCLSA-N 373.840 3.584 0 40 FHAB O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2oc1=O 4451842 XBSMZUOKSVQCIV-UHFFFAOYSA-N 367.445 3.508 0 40 FHAB O=C(COc1ccccc1F)NCc1cc(-c2cc3ccccc3o2)on1 22768768 GBNAFQAIQUPLFR-UHFFFAOYSA-N 366.348 3.922 0 40 FHAB Cc1c(Cl)cccc1S(=O)(=O)NCc1ccc(-c2ccco2)o1 575610568 PVJCVFVPGNWZTH-UHFFFAOYSA-N 351.811 3.980 0 40 FHAB O=S(=O)(CCC(F)(F)F)N[C@@H](c1ccsc1)c1cccs1 618256841 XTCIAUDBBBNYTI-NSHDSACASA-N 355.428 3.771 0 40 FHAB CC(C)COc1cccc(C(=O)NC(=S)Nc2ccccc2C(=O)O)c1 5844408 WREFBXVHTNHUSN-UHFFFAOYSA-N 372.446 3.546 0 40 FHAB CCOC(=O)Nc1cc(C)nn1-c1nc(-c2cccc(OC)c2)cs1 12442132 GZMJEZGBEIYCLE-UHFFFAOYSA-N 358.423 3.881 0 40 FHAB CCOc1cccc(C(=O)Nc2ccnn2Cc2ccc(OC)cc2)c1 28403645 CTSZQOIVXYXBAJ-UHFFFAOYSA-N 351.406 3.591 0 40 FHAB CC(=O)N(c1ccccc1)c1nc(CSc2cccc[n+]2[O-])cs1 20083120 GFFPOYIGZGRDDN-UHFFFAOYSA-N 357.460 3.753 0 40 FHAB COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nccs2)cc1 20102928 IXNLNWOUIIZTCS-UHFFFAOYSA-N 353.403 3.656 0 40 FHAB C[C@@H]1CC[C@@H]2C(=O)N(c3ccccc3OC(=O)c3ccccc3)C(=O)[C@@H]2C1 100474752 UZWHLOJRFBMUGX-HYVNUMGLSA-N 363.413 3.831 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1C(C)C 32601671 QFXDBRNOFXDFQV-UHFFFAOYSA-N 363.435 3.708 0 40 FHAB COC(=O)c1cccc(COC(=O)c2ccc(Br)s2)c1 21276727 OJKSXTWMFGCCML-UHFFFAOYSA-N 355.209 3.654 0 40 FHAB O=C(NC[C@H]1Cc2ccccc2O1)c1cccnc1Nc1cccc(F)c1 52615948 OIUSUTQPKSTSOF-QGZVFWFLSA-N 363.392 3.698 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 2662207 LPSZYAIWWGXNAD-PBHICJAKSA-N 370.522 3.932 0 40 FHAB CCn1c([C@@H]2CCCN(C(=O)Cc3cc(C)ccc3C)C2)n[nH]c1=S 78622381 SLJUDUJZUZOHDT-OAHLLOKOSA-N 358.511 3.526 0 40 FHAB COC(=O)CC1CCN(C(=O)Cc2cn(C(C)C)c3ccccc23)CC1 79481970 AAVYJTADCSZROG-UHFFFAOYSA-N 356.466 3.566 0 40 FHAB COc1cc(C=O)ccc1OCC(=O)Nc1cc(Cl)ccc1Cl 4201539 UARMJWLCIQNEMN-UHFFFAOYSA-N 354.189 3.832 0 40 FHAB CC(C)(C)c1nc2cc(NC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)ccc2o1 33216095 JJPCLMXAAMMWAR-YJYMSZOUSA-N 373.478 3.518 0 40 FHAB COc1cccc(OC)c1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 6583752 ADRCIGFZLKVCDS-UHFFFAOYSA-N 358.434 3.646 0 40 FHAB O=C(c1ccc(NC(=S)NCCc2ccccc2)cc1)N1CCCCC1 7094045 GCPQQVWZJVALPL-UHFFFAOYSA-N 367.518 3.842 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(Cl)c1 7708356 JWNBHJCBNBSUGS-UHFFFAOYSA-N 364.854 3.576 0 40 FHAB C[C@H](NC(=O)[C@@H]1[C@H]2CC[C@@]3(CC(=O)c4ccccc4O3)[C@@H]21)c1ccccc1 100124482 MTUYDFNNRNSSRA-XSXGTSHRSA-N 361.441 3.924 0 40 FHAB CCC[C@@H](C(=O)NC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 53392871 WTNNUCIEJPAZDN-OAQYLSRUSA-N 364.489 3.991 0 40 FHAB COCCOc1ncccc1C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 53475205 RXOGIDREDWOYSH-UHFFFAOYSA-N 369.421 3.798 0 40 FHAB Cc1c(CC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c(=O)oc2cc(O)ccc12 8879857 CPKJLZZWQIYGFO-FPTDNZKUSA-N 369.461 3.777 0 40 FHAB O=C1C[C@@H](c2ccc(Br)cc2)c2cc3c(cc2N1)OCCO3 816172 UZAUFXWUGAFFKH-LBPRGKRZSA-N 360.207 3.694 0 40 FHAB CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 806800 OSVOIBAHSVWHEF-KRWDZBQOSA-N 366.461 3.812 0 40 FHAB COc1ccc2cc([C@H]3CC(O)=Nc4c3cnn4C(C)(C)C)c(=O)[nH]c2c1 61720459 YNEPEXYGGIPSAZ-CYBMUJFWSA-N 366.421 3.612 0 40 FHAB COc1ccccc1-c1nn(CN(Cc2ccncc2)C2CC2)c(=S)o1 12534372 SZZQTFHOHCJWKX-UHFFFAOYSA-N 368.462 3.898 0 40 FHAB C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCC[C@H](C(F)(F)F)C1 57358820 ITFPDEYLDGDYGA-RYUDHWBXSA-N 366.391 3.533 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCC3)cc2)cc1C 12526172 QHJWSRBHAWHRBN-UHFFFAOYSA-N 358.463 3.843 0 40 FHAB O=C(NC1CCN(C2CC2)CC1)c1cc(-c2cccnc2)nc2ccccc12 12542667 QNDGNSSQDUOPJW-UHFFFAOYSA-N 372.472 3.653 0 40 FHAB Cc1ccc(NC(=O)c2c(C)oc3ncn(C4CCCC4)c(=O)c23)cc1 35672146 HPIPQSZCKNXNTI-UHFFFAOYSA-N 351.406 3.974 0 40 FHAB Cc1ccccc1C(=O)N1CCC(C(=O)NCc2ccccc2Cl)CC1 21873186 LLVNZUCVUUAITH-UHFFFAOYSA-N 370.880 3.817 0 40 FHAB COc1ccc(Cc2nc3ccccc3n2CC(=O)N2CCCCC2)cc1 27693405 YUJNITKUSNRSTM-UHFFFAOYSA-N 363.461 3.648 0 40 FHAB COc1ccc(NC(=S)C2=C(C)NC(=O)N[C@H]2c2ccccc2)cc1 100857954 KUWHFYQHJFYBIV-KRWDZBQOSA-N 353.447 3.763 0 40 FHAB O=C(Nc1sc2c(c1C(=O)O)CCC2)c1ccc(Br)cc1 2157576 CGPQQZZNEUWQMZ-UHFFFAOYSA-N 366.236 3.950 0 40 FHAB CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@H](C)c2cc(C)ccc2C)cc1 113940355 WQHSGVZUROVRPR-MRXNPFEDSA-N 374.506 3.580 0 40 FHAB O=C(Nc1ccc2oc(=O)ccc2c1)[C@@H]1CC(c2ccc(Cl)s2)=NO1 58423736 TYYJEMWKEFXDFG-ZDUSSCGKSA-N 374.805 3.640 0 40 FHAB Fc1ccccc1-c1nnc2ccc(N3CCc4sccc4C3)nn12 57137242 QRGMBPRMGSBNRJ-UHFFFAOYSA-N 351.410 3.555 0 40 FHAB O=C(OCC(=O)N1CCCCCC1)c1cccc(-c2ccc(O)cc2)c1 3342157 ABWRBYIOWOTKMC-UHFFFAOYSA-N 353.418 3.619 0 40 FHAB C[C@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)c1ccccc1 2323972 ULACSBCQOLYJEA-HNNXBMFYSA-N 354.475 3.945 0 40 FHAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)c1cccc(OC)c1 2315439 OQXDGSWOUXMLRZ-UHFFFAOYSA-N 358.781 3.869 0 40 FHAB CCc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc1 12783368 KKPWOOKAVAWXEO-ZIAGYGMSSA-N 359.495 3.567 0 40 FHAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccnn1C1CCCCC1 12755760 HDNOZHPLHMRYBV-UHFFFAOYSA-N 366.465 3.696 0 40 FHAB O=C(N[C@H]1CCCc2ccccc21)c1ccc2c(O)[nH]c(=S)nc2c1 48342675 NAVZQEWPDRAPID-HNNXBMFYSA-N 351.431 3.805 0 40 FHAB Cc1ccccc1NC(=O)[C@@H](C)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12871123 OMRSGQRINMGSON-QZTJIDSGSA-N 365.477 3.673 0 40 FHAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC2CCCCC2)cc1 3443023 RIWAXDZMEUPJTA-UHFFFAOYSA-N 372.490 3.858 0 40 FHAB O=C(Cc1csc(-c2ccco2)n1)Nc1ccc2c(c1)OCCCO2 12931534 VEEOVKWNPFZVAU-UHFFFAOYSA-N 356.403 3.746 0 40 FHAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(N2C(=O)CCC2=O)c1 13140929 UNROQAUOANGZFZ-UHFFFAOYSA-N 362.307 3.611 0 40 FHAB Cc1ccc(C)n1-c1sccc1C(=O)Nc1ccc(F)c(C(N)=O)c1 63769088 IBUBLEYJEOFLLK-UHFFFAOYSA-N 357.410 3.646 0 40 FHAB COC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 4185741 NUVGCIDAQJCUJX-UTNBAMHJSA-N 361.869 3.828 0 40 FHAB Sc1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc2c(c1)OCO2 13690757 SWDFFFAOIKPNFM-UHFFFAOYSA-N 359.838 3.588 0 40 FHAB COc1cccc(C(=O)O[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 4485753 VKBPQJVEXGBITR-SNVBAGLBSA-N 358.419 3.528 0 40 FHAB Cc1cccc(C(=O)OCC(=O)c2ccc(OC(=O)c3ccco3)cc2)c1 4555213 MIEALAANRDVJSE-UHFFFAOYSA-N 364.353 3.847 0 40 FHAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3nnc(CC(C)C)s3)oc2c1 8914269 UQXJWRHKORCKRB-UHFFFAOYSA-N 357.435 3.712 0 40 FHAB CCC(C)(C)C1CCC(NC(=O)C[C@H](NC(N)=O)c2cccs2)CC1 14527807 KMEJGFGQDUAQST-NRXISQOPSA-N 365.543 3.959 0 40 FHAB CCOc1ccc(C(=O)[C@H](C)Sc2nnc(C(F)(F)F)n2C)cc1 6850883 SOYGTGFAKJKKLI-VIFPVBQESA-N 359.373 3.596 0 40 FHAB COc1ccc2nc(NC(=O)[C@H](OC(C)=O)c3ccccc3)sc2c1 5833988 SXNJYRWWDUDXPV-MRXNPFEDSA-N 356.403 3.548 0 40 FHAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccnc(OC2CCC2)c1 90021842 LFPADQQTKIGONH-LJQANCHMSA-N 368.433 3.823 0 40 FHAB Cc1cc(N)nc(S[C@H](C)C(=O)Nc2ccc(SC(F)F)cc2)n1 7177412 VRNKGUQKITZYJM-SECBINFHSA-N 370.450 3.801 0 40 FHAB C[C@H](NC(=O)c1ccc(-c2ccccc2F)s1)c1nnc2n1CCC2 67677243 RGVUCGWCCBJDTF-NSHDSACASA-N 356.426 3.583 0 40 FHAB Cc1ccccc1C(=O)NCCC(=O)Nc1ccccc1Br 9114448 NEGCLLSKPCVUHL-UHFFFAOYSA-N 361.239 3.516 0 40 FHAB Fc1ccccc1NC1=NN=C(c2ccc3c(c2)OCCCO3)CS1 8156738 SYKPNWFXSUPWJL-UHFFFAOYSA-N 357.410 3.906 0 40 FHAB Cc1n[nH]c(S/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)O)n1 9328769 UYXCSEHUAJNVQT-GZTJUZNOSA-N 367.430 3.910 0 40 FHAB Cc1cnc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)cn1 8393894 IAJCXILTJIBXBX-UHFFFAOYSA-N 371.828 3.539 0 40 FHAB CN(C)Cc1ccccc1CNC(=O)c1cc(C2CC2)nn1-c1ccccc1 8313709 USIUQONGISMQDC-UHFFFAOYSA-N 374.488 3.741 0 40 FHAB Cc1ccc(-n2cnc(C(=O)N(C)c3cccc(C(F)(F)F)c3)n2)cc1 19910515 GTWRPIFGQSQLJG-UHFFFAOYSA-N 360.339 3.871 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)N3CCOc4cc(F)ccc43)cc2)n1 95960238 ONCZOWPAHOVYCP-UHFFFAOYSA-N 351.381 3.667 0 40 FHAB CN(C)CCNCc1cc(Br)ccc1OCc1ccccc1 22075437 DENGAOJHCDVQCM-UHFFFAOYSA-N 363.299 3.679 0 40 FHAB COC(=O)c1cccc(Nc2c(-c3ccc(OC)cc3)nc3cnccn23)c1 65322761 YYKXSUHPASZJAT-UHFFFAOYSA-N 374.400 3.935 0 40 FHAB CC(C)(C)c1ccc(C(=O)Nc2cc(N)ccc2N2CCOCC2)cc1 20158724 PKUTYLMAITVWES-UHFFFAOYSA-N 353.466 3.655 0 40 FHAB Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)OCc2ccccc2)cc1 408738698 VEVDFMRDMXKTMY-QGZVFWFLSA-N 356.447 3.645 0 40 FHAB CC(C)COc1ccc(NC(=O)C(=O)NC[C@@H](C)c2ccccc2)cc1 408709230 QGEVXNQXRNRQJD-MRXNPFEDSA-N 354.450 3.580 0 40 FHAB Cc1ccc(OCCCC(=O)NCc2ccc(-n3ccnc3C)cc2)cc1 30854518 DQWWNMVYSDDIBD-UHFFFAOYSA-N 363.461 3.965 0 40 FHAB O=C(Nc1cccc(Oc2ccccn2)c1)c1ccnc(NC(=O)C2CC2)c1 513672835 MRFTXCDDMJRVJK-UHFFFAOYSA-N 374.400 3.870 0 40 FHAB COc1ccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c(OC)c1 39766350 KDKYVQJXORCUMP-UHFFFAOYSA-N 368.477 3.863 0 40 FHAB Cc1cc(C(=O)NC[C@@H]2CCC[C@@H]2c2ccccc2)n(C2CCOCC2)n1 529442499 MEVCFXTVKHDTCA-AZUAARDMSA-N 367.493 3.857 0 40 FHAB COc1cc(C(=O)NCc2ccccc2C(F)(F)F)cc(OC)c1OC 72331497 FVXZROQBQSRDRV-UHFFFAOYSA-N 369.339 3.661 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)C)c(Cl)c2)cc1 38756194 LZJCGJUKEXPWDN-UHFFFAOYSA-N 366.870 3.587 0 40 FHAB CN1CC[C@H](NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)[C@@H]2CCC[C@H]21 560525859 BNAJITNXQIATAF-LALMEFMKSA-N 353.554 3.644 0 40 FHAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCCN1C[C@@H](C)C[C@H](C)C1 36124363 DIBFEYJBEAVFAJ-ZWOKBUDYSA-N 360.542 3.945 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)COc2cccc3ccccc23)cc1 218912060 NCEQEPLATJWKJY-MRXNPFEDSA-N 365.429 3.811 0 40 FHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(OCc2ccccc2)c1 14258513 WUWNLBBZHDAKOD-UHFFFAOYSA-N 359.385 3.688 0 40 FHAB CCn1c(=O)sc2cc(NC(=O)CCCOc3ccccc3)ccc21 225098164 CKWZEHHTRKEPAD-UHFFFAOYSA-N 356.447 3.881 0 40 FHAB CNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCC[C@@H]2C)n1 225879467 XZDSWNVCQBLEDX-ZDUSSCGKSA-N 357.483 3.564 0 40 FHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1 224646892 KPZNTXVSERGLGH-QGZVFWFLSA-N 370.468 3.700 0 40 FHAB C[C@H](c1nc2ccccc2n1C(F)F)N1CCN(Cc2ccccn2)CC1 47705147 KHFOSYPHRMZKDJ-OAHLLOKOSA-N 371.435 3.705 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 222920726 AUWZUPFTBSLOFV-IBGZPJMESA-N 370.518 3.641 0 40 FHAB O=C(OCc1ccccc1)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 196494329 QSYUKQUFMGWCOD-IBGZPJMESA-N 353.418 3.779 0 40 FHAB C[C@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(CN2CCCCC2)c1 224670737 GMDXUHVRWYLPFS-KRWDZBQOSA-N 370.468 3.895 0 40 FHAB CC(C)[C@H](C(=O)Nc1cc(Cl)ccc1O)N1Cc2ccccc2C1=O 80358934 RQXBNTUVHCEKGP-QGZVFWFLSA-N 358.825 3.665 0 40 FHAB O=C1CCCC[C@@H]1[C@@H]1CCCCCN1C(=O)CCn1cnc2ccccc21 333320551 KZZBOJNAGAUTEB-MJGOQNOKSA-N 367.493 3.957 0 40 FHAB O=C(Cc1ccc2c(c1)OCC2)NCCCCCc1nc2ccccc2[nH]1 96118485 CDJLEXTZHIEPGR-UHFFFAOYSA-N 363.461 3.570 0 40 FHAB CCN(CC)CCCNC(=O)c1ccc2onc(-c3csc(C)n3)c2c1 96037868 IBWLNKRYZDXFEM-UHFFFAOYSA-N 372.494 3.721 0 40 FHAB Cc1cccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c1C 243023591 HYUNORDJEKMBQU-UHFFFAOYSA-N 374.506 3.832 0 40 FHAB COc1cccc(CN2C[C@@H]3CCC[C@@](O)(c4ccccc4OC)[C@H]3C2)c1 248186523 HYMIIRVRJSDLIF-AVCGJXAMSA-N 367.489 3.824 0 40 FHAB OCC[C@@H]1CCCCCN1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 585081328 FIKMHSKOCFOPIT-HNNXBMFYSA-N 369.387 3.882 0 40 FHAB Cn1nccc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257258508 KUIAXFIHTXIHNE-KRWDZBQOSA-N 368.412 3.505 0 40 FHAB CC[C@@H]1CCCCN1CCCNC(=O)[C@H](C)Oc1cccc(Cl)c1 260408986 YGDPWPHHMVDSEE-DOTOQJQBSA-N 352.906 3.878 0 40 FHAB COc1ccc(-c2ccc(-c3noc(-c4ccc(C(N)=O)cn4)n3)cc2)cc1 546472869 LNRKNOSIKTUNOW-UHFFFAOYSA-N 372.384 3.573 0 40 FHAB O=C(NCC[C@H]1CCc2ccccc21)c1cc2cc(F)ccc2[nH]c1=O 1628836346 UXFHHORCTBLWLE-CQSZACIVSA-N 350.393 3.517 0 40 FHAB COc1ccccc1-c1cnc2n1CCN(C(=O)CC1CCCCC1)CC2 585111058 BVFVNJCXHHGSRA-UHFFFAOYSA-N 367.493 3.914 0 40 FHAB C[C@@H](c1ccccc1)N1CCOC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 585104206 KVOGVFDFGQFHAG-HTAPYJJXSA-N 368.452 3.642 0 40 FHAB O=c1[nH]c(CN2CCC[C@H]2c2cccs2)nc2sc3c(c12)CCC3 57457281 KOKRYCKBYFSJTA-LBPRGKRZSA-N 357.504 3.872 0 40 FHAB O=C(Oc1ccc(I)cc1)c1ccc(F)cc1F 95932813 CZIZCEXWFFPBJM-UHFFFAOYSA-N 360.097 3.789 0 40 FHAB Cc1ncc(-c2ccccn2)c(CN(Cc2ccccc2)C(=O)C2CC2)n1 12089183 VXDQRALSBANHSM-UHFFFAOYSA-N 358.445 3.786 0 40 FHAB Oc1c2c(nc3cc(C4CC4)nn13)CCN(Cc1ccc(Cl)cc1)C2 12667008 GNUKZBAEBKZWKR-UHFFFAOYSA-N 354.841 3.524 0 40 FHAB COc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2)cc1 13122617 BKHJNSOULRVGNE-LJQANCHMSA-N 365.458 3.964 0 40 FHAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cnc2sccn2c1=O 15659171 QFVFOOQJPNGVGL-UHFFFAOYSA-N 373.743 3.681 0 40 FHAB Cc1ccc(C)c(NC(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1 17305825 GVOXPHBUVGZDKA-KRWDZBQOSA-N 363.465 3.516 0 40 FHAB O=C(COc1ccccc1)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 19373441 PQEKWVLWHNNBBM-CQSZACIVSA-N 369.446 3.583 0 40 FHAB CCOc1cccc2c1OCCCCCNC(=O)CN(C1CCCC1)C2 643574882 XXMGELVFBNRCBI-UHFFFAOYSA-N 360.498 3.509 0 40 FHAB O=C(NC1CCCC1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 31029913 ZNGKPOALBGYVQF-UHFFFAOYSA-N 370.522 3.580 0 40 FHAB Cn1cc(-c2ccc(CCNC(=O)c3nc4ccccc4s3)s2)cn1 1889237081 ICRLATJGTVXWDS-UHFFFAOYSA-N 368.487 3.731 0 40 FHAB CC(C)[C@H](Cn1nccn1)NC(=O)c1cccc(Oc2ccc(F)cc2)c1 245130895 VDGHSKCSLARDFX-IBGZPJMESA-N 368.412 3.664 0 40 FHAB O=C(CSc1ccc2nnc(-c3ccccc3)n2n1)Nc1ccccc1 4164058 NGVFOSXBKDAOPR-UHFFFAOYSA-N 361.430 3.522 0 40 FHAB COc1ccc(C(=O)NCCSc2ncc(-c3ccccc3)[nH]2)cc1 4315514 ZMAQBQGTYWHXDM-UHFFFAOYSA-N 353.447 3.607 0 40 FHAB O=C1C[C@H](N2CCC(c3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1 4785285 ILTALOXCGYZEJN-IBGZPJMESA-N 368.864 3.852 0 40 FHAB CC(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1 9828262 PIZBYMOKCCATLJ-UHFFFAOYSA-N 358.463 3.520 0 40 FHAB CCOC(=O)Nc1nc(CC(=O)Nc2cc(Cl)ccc2C)cs1 12440503 JAAJTENQVUVEHO-UHFFFAOYSA-N 353.831 3.855 0 40 FHAB CCC(=O)Nc1ccc(OCC(=O)O)c(-c2nc3ccccc3s2)c1 20157760 CLTFYGJZXYXACU-UHFFFAOYSA-N 356.403 3.775 0 40 FHAB COc1ccc([C@H](O)CNC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 40097811 OXHWDXHPBRORQE-OAHLLOKOSA-N 354.328 3.569 0 40 FHAB Cc1nccn1-c1cc(CNC(=O)CCCc2c[nH]c3ccccc23)ccn1 40108358 FWNFKBDDVXPXLS-UHFFFAOYSA-N 373.460 3.696 0 40 FHAB CCc1ccc([C@H](C)NC(=O)[C@H]2CCCN2C(=O)NC2CCCCC2)cc1 40149031 LUNSQODAUWRJCX-OXJNMPFZSA-N 371.525 3.933 0 40 FHAB Cc1cc(=O)[nH]c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1 51353942 AUCDXFLVCHPQAX-QGZVFWFLSA-N 369.421 3.690 0 40 FHAB Cc1cc(C)cc(-n2ncc3c2N=C(O)C[C@@]32C(=O)N(C)c3ccccc32)c1 32097478 ZAISGYHZIPFLKY-QFIPXVFZSA-N 372.428 3.743 0 40 FHAB O=c1oc2ccccc2c(O)c1[C@H]1NCCc2c1[nH]c1ccc(Cl)cc21 20759776 QASWXKAGRNBQJC-GOSISDBHSA-N 366.804 3.868 0 40 FHAB biogenic CCc1ccc([C@H](C)NC(=O)CSc2nc(-c3ccco3)n[nH]2)cc1 32873573 YFVNCSVXAWRRQL-LBPRGKRZSA-N 356.451 3.597 0 40 FHAB CCCc1nc2ccccc2c(C(=O)OCC(=O)NC(C)(C)C)c1CC 2640161 REBSQDJBLYKIFE-UHFFFAOYSA-N 356.466 3.821 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(C)n1C[C@@H]1CCCO1 915446 MYRNNOHZFUUWTL-HOCLYGCPSA-N 374.510 3.502 0 40 FHAB COc1ccc(N[C@H](C)c2ccc(F)c(F)c2)cc1NS(C)(=O)=O 78671630 DJNSFDUNUSILQA-SNVBAGLBSA-N 356.394 3.518 0 40 FHAB Cc1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)nc1-c1ccc(F)cc1 2738023 XWJJYBAUSQFKSQ-KBPBESRZSA-N 360.410 3.863 0 40 FHAB Cc1nn(-c2ccccc2)c2oc(=O)c(NC(=O)c3ccc(F)cc3)cc12 3225008 RJCKGWCAGYOHLF-UHFFFAOYSA-N 363.348 3.679 0 40 FHAB O=C(COC(=O)c1cccc(Cl)c1)Nc1ccc(Br)cc1 3385763 DXCCYHOXYFZSEF-UHFFFAOYSA-N 368.614 3.898 0 40 FHAB O=C(CCC(=O)c1cccs1)NCc1ccc(OCC(F)(F)F)cc1 22417942 BJSRZKNDKNPILO-UHFFFAOYSA-N 371.380 3.969 0 40 FHAB O=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(Nc2ccccc2)cc1 53576090 GHFGGTUALUCPPD-UHFFFAOYSA-N 370.412 3.779 0 40 FHAB COc1ccc(CNC(=S)N[C@H]2CCCOc3ccc(F)cc32)cc1 53534282 KZVXMTXOQGLAPC-KRWDZBQOSA-N 360.454 3.712 0 40 FHAB O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1ccc(Cl)c(Cl)c1 6805680 TWNQQAKTRGDEJK-CQSZACIVSA-N 351.189 3.722 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1 7780899 FIQTWICFZINZQH-CYBMUJFWSA-N 371.824 3.782 0 40 FHAB S=c1n(CN2CCC(c3ccccc3)CC2)nnn1-c1ccccc1 59474610 SFZNQRQOEZJCRZ-UHFFFAOYSA-N 351.479 3.635 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C 10684186 KZBHECYUYYTOLZ-MRXNPFEDSA-N 354.450 3.849 0 40 FHAB CCN(Cc1cc(=O)n2c(C)csc2n1)Cc1ccc(Cl)s1 8132461 RZAQLINOAGZTKR-UHFFFAOYSA-N 353.900 3.801 0 40 FHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(F)cc2)NC(=O)N1 909725 HMBXMUXPARSITD-GOSISDBHSA-N 353.397 3.709 0 40 FHAB COc1cc2c(cc1OC)CN(C1CCN(Cc3ccccc3)CC1)CC2 57523201 BPEBDHKSWQJONU-UHFFFAOYSA-N 366.505 3.727 0 40 FHAB COc1ccc(CCNC(=O)Cc2csc(-c3cccs3)n2)cc1 9112122 HNHQCULJBIAZCG-UHFFFAOYSA-N 358.488 3.782 0 40 FHAB CS(=O)(=O)Nc1ccccc1NC(=O)c1cc2c(F)cccc2s1 24891045 FPBKFHRHHVUPLH-UHFFFAOYSA-N 364.423 3.664 0 40 FHAB Cc1ccc(OCc2nc(CC(=O)NCc3nc(C)cs3)cs2)cc1 21482999 OETJKYNTBXAKTL-UHFFFAOYSA-N 373.503 3.654 0 40 FHAB C[C@@H](NC(=S)N[C@H]1C[C@H]2CC[C@H]1C2)c1nc(-c2ccc(F)cc2)no1 107348299 HEVZEDXNHVYUKL-MPXAEWJHSA-N 360.458 3.589 0 40 FHAB CCN(C(=O)Cn1nc(-c2ccc(C)c(C)c2)ccc1=O)c1ccccc1 57427457 LXAQRXWCLZMBMI-UHFFFAOYSA-N 361.445 3.580 0 40 FHAB COc1ccc(C(=O)CSc2nnc(-c3ccccc3)o2)cc1OC 3287885 LUQLCQLJSAIYNM-UHFFFAOYSA-N 356.403 3.729 0 40 FHAB CC(C)(C)OC(=O)NCCCC(=O)N[C@@H]1CCSc2ccccc21 57974126 ZQVXHOGPJUCONP-CQSZACIVSA-N 350.484 3.645 0 40 FHAB Cc1ccc(-c2csc(NC(=O)[C@@H](C)OC[C@H]3CCCO3)n2)c(C)c1 58003421 DYEDPXJWRSGUEU-HUUCEWRRSA-N 360.479 3.950 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)Cc2coc(-c3ccccc3)n2)c1 27450466 OZUCUAGTFJQSGD-UHFFFAOYSA-N 350.374 3.618 0 40 FHAB Cc1cccc(OCC(=O)NC[C@H](c2cccs2)N2CCCCC2)c1 27663922 WUIKHIBFPMGWRC-GOSISDBHSA-N 358.507 3.779 0 40 FHAB CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(F)cc2F)c1C 58226658 QIGWJMKLOWWDNW-UHFFFAOYSA-N 368.405 3.677 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c(C(=O)O)c1 58354961 BOVXBIFXJAAFGK-UHFFFAOYSA-N 359.325 3.513 0 40 FHAB CC(C)Cc1nc2sc3c(SCC(N)=O)ncnc3c2c2c1CCC2 2232901 CYLKCIQFAOCVKQ-UHFFFAOYSA-N 372.519 3.504 0 40 FHAB COc1ccc(C(=O)COC(=O)CSc2cc(C)ccc2C)c(OC)c1 3341565 JBGDAJSYOWXZNJ-UHFFFAOYSA-N 374.458 3.839 0 40 FHAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCCCC1 12757393 PMVSWDNXRQKQRV-UHFFFAOYSA-N 353.344 3.526 0 40 FHAB CC(=O)Nc1ccc(CC(=O)OCc2nc(-c3cccs3)oc2C)cc1 11320598 OGZVEFRTRNKRRB-UHFFFAOYSA-N 370.430 3.956 0 40 FHAB O=C(NCCCC(=O)N1CC=C(c2ccccc2)CC1)c1ccsc1 12874618 QDJNEUIFDBUHKI-UHFFFAOYSA-N 354.475 3.574 0 40 FHAB Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1F 3402717 CAPMXYNHQSSEDG-UHFFFAOYSA-N 355.818 3.590 0 40 FHAB COc1cccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)c1 3620147 YQQMZXSOTXZDJX-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB CC(C)(C)c1noc(CCCC(=O)N(C[C@@H]2CCOC2)c2ccccc2)n1 69951445 POAVTCNWMQSPIV-INIZCTEOSA-N 371.481 3.760 0 40 FHAB COc1ccc(CN2CCCC[C@@H]2c2nc(-c3ccncc3)no2)cc1 65286339 OMTPDQODPKVMPB-GOSISDBHSA-N 350.422 3.867 0 40 FHAB CC(C)c1n[nH]c(SCC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)n1 14093382 LGNIYOWUXRPBSX-CQSZACIVSA-N 358.511 3.848 0 40 FHAB CC(=O)Nc1cccc(Nc2ncnc3c2cnn3Cc2ccccc2)c1 5351216 APFQJGKMCHDRCG-UHFFFAOYSA-N 358.405 3.577 0 40 FHAB COc1ccc(C(=O)Nc2ccccc2C(=O)OCC(=O)C(C)(C)C)cc1 14199237 OWFQPDKCLQWZLR-UHFFFAOYSA-N 369.417 3.720 0 40 FHAB C[C@H](NC(=O)C1(c2ccc(F)cc2)CCCC1)c1nnc2ccccn12 5483191 MBJZZWBFMRDULI-AWEZNQCLSA-N 352.413 3.558 0 40 FHAB Cc1cc(-c2csc(NC(=O)c3cn4ccccc4n3)n2)c(C)n1C 6512273 KUASQYVNJSKAAU-UHFFFAOYSA-N 351.435 3.665 0 40 FHAB CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1cccc(C)c1 4690475 WQCHFJOPKXXUQP-UHFFFAOYSA-N 373.507 3.769 0 40 FHAB COc1ccccc1[C@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1C 5555621 IBSFZFOPLCPYFB-INIZCTEOSA-N 355.777 3.630 0 40 FHAB CCOc1ccccc1NC(=O)COc1cccc(Br)c1 5654563 WSYRFPWZPMFYPD-UHFFFAOYSA-N 350.212 3.865 0 40 FHAB COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(Br)cc2)cc1 5717483 LMFBGRSUUOPIPT-LLVKDONJSA-N 363.207 3.886 0 40 FHAB CC[C@H](C(=O)N1CCc2ccccc21)n1nnc(-c2ccc(Cl)cc2)n1 15190901 UVRKXUSLTQEOLO-MRXNPFEDSA-N 367.840 3.534 0 40 FHAB Cc1ccc(-n2c(C)nnc2S[C@H](C)C(=O)NC2CCCCC2)cc1 6912554 DCCLPOJONLRCNL-CQSZACIVSA-N 358.511 3.814 0 40 FHAB FC(F)(F)Oc1ccccc1Cc1nnc2sc(C(F)(F)F)nn12 71284385 RAATTXADVASTSD-UHFFFAOYSA-N 368.262 3.694 0 40 FHAB CN1CCN(c2ccccc2NC(=O)c2cc(F)c(F)cc2Cl)CC1 9118835 CKCJCUHRYMUNAD-UHFFFAOYSA-N 365.811 3.622 0 40 FHAB COC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)sc2c1CCCC2 5917025 SZVJEFVRKRIIIG-UHFFFAOYSA-N 359.447 3.603 0 40 FHAB COc1cc(NS(=O)(=O)c2ccccc2Cl)c(OC)cc1Cl 7387467 CERWKRGHMYPMEE-UHFFFAOYSA-N 362.234 3.811 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc(N(C)C)cc1 7438405 SFVPEZMEJYPVFE-AWEZNQCLSA-N 350.418 3.971 0 40 FHAB Cc1nc(-c2cccc(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)c2)cs1 7777801 KRZBWPSEDBDSSG-OAHLLOKOSA-N 369.490 3.848 0 40 FHAB CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2nc3ccccc3[nH]2)cc1 7718057 ZTHWVIQPGGFMGG-UHFFFAOYSA-N 364.449 3.619 0 40 FHAB COc1ccc(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc1F 7824943 WBGZUYLIMLYGGL-UHFFFAOYSA-N 367.424 3.626 0 40 FHAB COc1cc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc(OC)c1 7919977 UEXQTPHZNFBPOK-UHFFFAOYSA-N 374.824 3.736 0 40 FHAB O=c1oc2ccccc2n1CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8232243 QAROPXFMGSJAHO-MRXNPFEDSA-N 366.417 3.550 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 8277381 HVKDFWZTBVWHBO-KDOFPFPSSA-N 362.901 3.887 0 40 FHAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1noc(-c2ccc(Cl)cc2)n1 21800636 IKIRUFMJTQPHPV-SNVBAGLBSA-N 361.760 3.935 0 40 FHAB COc1cc2ccccc2cc1C(=O)Nc1cc(C)c(O)c(C(=O)O)c1 20139182 DFFAUONFBUSFKO-UHFFFAOYSA-N 351.358 3.813 0 40 FHAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cnn(-c2ccccc2)n1 8429512 KXFQWONLHFEUHA-UHFFFAOYSA-N 362.389 3.561 0 40 FHAB C[C@H](OC(=O)c1cccs1)C(=O)Nc1ccc(OC(F)(F)F)cc1 8496248 JZTIFHKYQIJOPK-VIFPVBQESA-N 359.325 3.831 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)N2CCCCC[C@@H]2c2ccncc2)c1C 84007908 SGFCHPYHIWDVHO-MRXNPFEDSA-N 355.438 3.571 0 40 FHAB Cc1c(-c2ccccc2)oc2c(C(=O)N3CCO[C@@H](C)C3)cccc2c1=O 9853774 BDTAHRLDEINFKT-AWEZNQCLSA-N 363.413 3.629 0 40 FHAB O=C(N[C@@H]1CCCc2c1[nH]c1ccccc21)[C@H]1CC(=O)N(c2ccccc2)C1 524733758 NMAJHAUVBWLYGM-MGPUTAFESA-N 373.456 3.715 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 218974912 MNIOGZDGSAWALC-MRXNPFEDSA-N 365.433 3.779 0 40 FHAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1c2c(nn1-c1ccccc1)CCC2 122380627 CTVHSXPOPHHXGV-IBGZPJMESA-N 373.412 3.601 0 40 FHAB O=C(NC[C@@]1(C(=O)O)CC1(F)F)OCC1c2ccccc2-c2ccccc21 1536221614 WZQHVMJRCRWAAT-LJQANCHMSA-N 373.355 3.635 0 40 FHAB OC[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 77273379 TUPSTLDQFNUXKF-HXUWFJFHSA-N 350.414 3.870 0 40 FHAB in-vitro CCOc1ccc(CCC(=O)Nc2cccc(C(=O)OC)c2)cc1OCC 216441123 JVJASGLRTMRYOA-UHFFFAOYSA-N 371.433 3.842 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1 219066446 CNKDTZXVBOZWPK-IAGOWNOFSA-N 357.450 3.663 0 40 FHAB COc1cc2c(cc1OC)[C@H](c1cc(C)no1)N(C(=O)C1CCCC1)CC2 72342692 BKVMZKLRZZJNDW-HXUWFJFHSA-N 370.449 3.665 0 40 FHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225056906 SSZUFBXHMBLAEN-MRXNPFEDSA-N 356.447 3.705 0 40 FHAB C[C@@H](Oc1cccc2ccccc12)C(=O)NC[C@H]1COc2ccccc2O1 225261800 FDVROUHYXXWSMQ-WBVHZDCISA-N 363.413 3.563 0 40 FHAB CCOc1ccccc1CCCNC(=S)Nc1ccc2c(c1)OCCO2 225396518 NGSLRYITKPVOOG-UHFFFAOYSA-N 372.490 3.776 0 40 FHAB FC(F)(F)c1cccc(CN2CC(c3nc(-c4cccnc4)no3)C2)c1 49483713 CZPIHSYKJFOHSP-UHFFFAOYSA-N 360.339 3.750 0 40 FHAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(N2CCOCC2)cc1 225015271 VSJOJXUXABSQDM-HXUWFJFHSA-N 368.477 3.936 0 40 FHAB Cc1ccc(CN2CCC3(CC2)C[C@@H](N(C)Cc2ccccn2)CO3)s1 96048053 WPXIZUQYMGVQMH-LJQANCHMSA-N 371.550 3.707 0 40 FHAB O=C(NCc1cccs1)[C@@H]1C[C@@]12CCN(C(=O)c1cccc(Cl)c1)C2 96227625 SLZVDFVDGWGHEI-QFBILLFUSA-N 374.893 3.570 0 40 FHAB CCOC[C@H]1CC2(CCN(C(=O)c3csc4ccccc34)CC2)CO1 96105937 UVAKHISRMATFCS-OAHLLOKOSA-N 359.491 3.949 0 40 FHAB O=C(c1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1)N1CCCCC1 260659311 WUAKLUBTVUUSBL-ZVZYQTTQSA-N 357.523 3.788 0 40 FHAB Nc1nc(NC[C@H]2CCN(c3ccc(Cl)cc3)C2)nc2ccccc12 677879241 YVWFTTFBZDYYSZ-CYBMUJFWSA-N 353.857 3.804 0 40 FHAB O=C(c1ccc2cc[nH]c2c1)N1CCC(Oc2ccncc2Cl)CC1 390826958 DBTYWUGOMLNUJI-UHFFFAOYSA-N 355.825 3.900 0 40 FHAB Cc1nc(CN[C@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)oc1C 97143572 NBKBUMFPFJMGLA-SNVBAGLBSA-N 355.360 3.817 0 40 FHAB Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccccc3O)n[nH]2)c1 5488736 WFIHJVCGEQQSOC-UHFFFAOYSA-N 354.435 3.525 0 40 FHAB O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 12391136 NQPIIQJZWOIPEZ-MRXNPFEDSA-N 365.408 3.798 0 40 FHAB CCc1ccc(OCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 13684433 OSVIDBIFBWJHDO-UHFFFAOYSA-N 354.450 3.652 0 40 FHAB COCCNC(=O)/C(C#N)=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 16409684 JSHNMDTZHHGPJB-XNTDXEJSSA-N 358.482 3.657 0 40 FHAB O=C(NCCN1CCCCC1)c1cccnc1-c1nc2ccccc2s1 16807791 OJMPUEBECYDWAB-UHFFFAOYSA-N 366.490 3.574 0 40 FHAB FC1(F)CCC(c2noc(CNc3ncc(Br)cn3)n2)CC1 575617563 USGNOVUPDFWQPC-UHFFFAOYSA-N 374.189 3.527 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC(CCc2ccc(O)cc2)CC1 36398492 FZLMWGOCKYCHSH-UTKZUKDTSA-N 358.526 3.732 0 40 FHAB CN(Cc1nc2ccccc2s1)C(=O)c1cc(Br)c[nH]1 37494929 VTKULFAHASIYGT-UHFFFAOYSA-N 350.241 3.659 0 40 FHAB Cc1ccc(N2C[C@@H](C(=O)NCCc3ccc(Cl)cc3)CC2=O)cc1C 710557 NQPXKBRIBQZBGQ-KRWDZBQOSA-N 370.880 3.669 0 40 FHAB CCN(CC)C(=S)Oc1ccc(C(=O)Nc2ccccc2OC)cc1 1434829 RPCDSZIABDKQPR-UHFFFAOYSA-N 358.463 3.953 0 40 FHAB COc1ccc2nc(N(CCN(C)C)C(=O)c3cccs3)sc2c1 4359126 AKJGFBIHOFPGTP-UHFFFAOYSA-N 361.492 3.575 0 40 FHAB CCCCN1C(=O)CCc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc21 9137265 NWGIXAODLZANIX-UHFFFAOYSA-N 366.417 3.747 0 40 FHAB O=C(Nc1nnc([C@@H]2CCCO2)o1)c1ccc(Oc2ccccc2)cc1 10970989 WITYCWXZCXDOLM-INIZCTEOSA-N 351.362 3.966 0 40 FHAB COc1cccc(COc2coc(C(=O)Nc3ccc(F)cc3)cc2=O)c1 11963209 JIBFROWNCWCEEU-UHFFFAOYSA-N 369.348 3.619 0 40 FHAB Cc1cc(C(=O)N(C[C@H]2CCCO2)c2nc3ccc(F)cc3s2)on1 12422331 NDMSVTUFNGNNCL-GFCCVEGCSA-N 361.398 3.558 0 40 FHAB CCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC)cc1 17287269 MWPPEQWNDPOVEN-UHFFFAOYSA-N 372.490 3.739 0 40 FHAB FC(F)(F)c1cccc(OCC2CCN(C[C@H]3CCCOC3)CC2)n1 585534121 TUINQMAWPOMMHH-OAHLLOKOSA-N 358.404 3.618 0 40 FHAB O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cncn1-c1ccc(F)cc1 32907731 DQNZJTSVSLSEKQ-AAEUAGOBSA-N 355.335 3.862 0 40 FHAB COc1cc(C(=O)N2CCO[C@H](C)C2)cc(Cl)c1OCCC(C)C 40024222 GHRZNNLVQIPHFX-CYBMUJFWSA-N 355.862 3.634 0 40 FHAB O=C(Nc1ccccc1N1CCCCC1)[C@@H]1CC(=O)N(c2ccccc2)C1 40074158 GYCVINOKGOAZHG-QGZVFWFLSA-N 363.461 3.669 0 40 FHAB O=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 40071881 CQNDASPZIHQEDN-GFCCVEGCSA-N 370.261 3.693 0 40 FHAB CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccccc1OC 40152977 NOWFNUUOPHKEHU-GOSISDBHSA-N 368.481 3.609 0 40 FHAB Cc1ccc(-n2cc(C(=O)NCc3ccc(C(F)(F)F)cc3)nn2)cc1 32054733 CQVHKDAHKDWVDB-UHFFFAOYSA-N 360.339 3.525 0 40 FHAB Cc1nn(-c2ccccc2)c(Cl)c1CSc1ncnc2c1cnn2C 21754908 MEXWDONLTOVZSK-UHFFFAOYSA-N 370.869 3.803 0 40 FHAB O=S(=O)(Nc1ccccc1N1CCCCC1)c1ccc(F)cc1F 3278725 MFMDNZBGNDEGCE-UHFFFAOYSA-N 352.406 3.756 0 40 FHAB CCCCCC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 103121116 ZTVSUNWOSNKKIZ-YXUGBTPSSA-N 355.434 3.708 0 40 FHAB Cc1ccc(-n2c(S[C@@H](C)C(N)=O)nnc2-c2ccccc2)cc1C 4835593 HHZNJCZHAUFXMK-AWEZNQCLSA-N 352.463 3.517 0 40 FHAB CCOC(=O)NCC1(c2ccccc2)CCN(Cc2ccccc2)CC1 4804442 DDOMFXWZSMHVEA-UHFFFAOYSA-N 352.478 3.967 0 40 FHAB O=C(NC(=S)Nc1cccc(-c2ccc(CO)o2)c1)c1cccc(F)c1 6896293 NCEIMOBXHLUDRK-UHFFFAOYSA-N 370.405 3.705 0 40 FHAB O=C(Cc1csc(-c2ccccc2)n1)NCCc1nc2ccccc2[nH]1 7995704 SSCMJLUBEPZPMC-UHFFFAOYSA-N 362.458 3.588 0 40 FHAB Fc1cccc(-c2nn3c(-c4ccc5c(c4)OCO5)nnc3s2)c1F 12390358 CGKZASZCTIMQIR-UHFFFAOYSA-N 358.329 3.527 0 40 FHAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 101818563 PHMFAIZNHTYKOP-XXHBBNRNSA-N 359.731 3.820 0 40 FHAB CCC(CC)c1nnc(NC(=O)CSCc2c(C)noc2C)s1 23079770 ZTUXKIHNAYUPCJ-UHFFFAOYSA-N 354.501 3.918 0 40 FHAB Cc1cc2c(nc1C)sc1c(N(CCO)Cc3ccccc3)ncnc12 12408884 SXQKFHAXIMXXHQ-UHFFFAOYSA-N 364.474 3.855 0 40 FHAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H]2CCCO2)cc1 23076661 CNWZBMWBMYTOOB-IBGZPJMESA-N 361.445 3.757 0 40 FHAB O=C(O)[C@@H]1CC(=O)N(c2ccc(OCc3cccc4ccccc34)cc2)C1 8732492 GNTWOOLHEMHLGB-QGZVFWFLSA-N 361.397 3.856 0 40 FHAB CCn1c(NC(=O)c2cc(Cl)c(OC)c(OC)c2)nc2ccccc21 8778712 MOFPORUIXOHFFR-UHFFFAOYSA-N 359.813 3.979 0 40 FHAB CC1(C)COc2cc(NC(=O)COc3ccc(Cl)cc3)ccc2NC1=O 8959141 SOAJFSIEDSCYJZ-UHFFFAOYSA-N 374.824 3.715 0 40 FHAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(F)cc3)cc21 8959459 MUCNEFBFWXLSPO-UHFFFAOYSA-N 356.397 3.850 0 40 FHAB CCOC(=O)Nc1cccc(C(=O)Nc2ccc(N3CCCC3)nc2)c1 24032486 MDRJHZCJIKTBCR-UHFFFAOYSA-N 354.410 3.503 0 40 FHAB O=C(CC[S@@](=O)Cc1cccc(C(F)(F)F)c1)Nc1ccccc1 58098110 DNWNPPKVFYBPKN-DEOSSOPVSA-N 355.381 3.983 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)cc1 24833311 CSTBQHGZFKSXGE-MRXNPFEDSA-N 367.445 3.589 0 40 FHAB COc1ccc(CN2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)cc1 55393849 IDQSVJCFEDTPPX-UHFFFAOYSA-N 363.413 3.642 0 40 FHAB CCOc1ccc2nc(SCc3cn4c(C)cc(C)nc4n3)[nH]c2c1 12589076 XDYWXIFSYURPTO-UHFFFAOYSA-N 353.451 3.913 0 40 FHAB O=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@H]1c1ccc(Cl)cc1 25086688 CHBGBCXXIKZKCQ-KRWDZBQOSA-N 352.825 3.898 0 40 FHAB Cc1c(F)cccc1CN1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 108531834 BMRQTRNRPIWTRB-GOSISDBHSA-N 370.472 3.550 0 40 FHAB CCc1ccc(C(=O)CN2C(=O)[C@H](C)N(c3ccc(C)cc3)C2=O)cc1 3263196 YFRYPYSIESANOU-HNNXBMFYSA-N 350.418 3.597 0 40 FHAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccccc2Br)c1 1943755 BJOZQEULKHUPFR-UHFFFAOYSA-N 362.223 3.861 0 40 FHAB C[C@@H](CCc1ccc(O)cc1)NC(=O)NCCCc1nc2ccccc2[nH]1 27362778 LRGOCZZVRBCUQZ-HNNXBMFYSA-N 366.465 3.522 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCCC3)c2)cc1 12605804 JWIQNFUMUWDRES-UHFFFAOYSA-N 372.490 3.730 0 40 FHAB O=C(c1ccc(COc2ccc(F)cc2)o1)N1CCC[C@@H](n2cccn2)C1 58290631 AFBPAJWQJGKPKB-MRXNPFEDSA-N 369.396 3.672 0 40 FHAB O=C(CCCc1c[nH]c2ccccc12)OCC(=O)N1CCc2ccccc21 3307562 RXCQZKWPWNSPGH-UHFFFAOYSA-N 362.429 3.623 0 40 FHAB CCCOC(=O)c1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1 3302168 JCVZPNBESAWVKI-UHFFFAOYSA-N 369.446 3.861 0 40 FHAB CCOC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2C)c1 107614430 UPKMRHAROQDZLI-UHFFFAOYSA-N 367.854 3.934 0 40 FHAB Cc1csc(NC(=O)[C@H]2CCC[C@@H](C(=O)Nc3nc(C)cs3)C2)n1 58341790 QAHJUWYCGXXWJB-TXEJJXNPSA-N 364.496 3.600 0 40 FHAB O=C(Nc1ccc(Nc2ccccc2)nc1)c1csc(-c2ncccn2)n1 58426839 PGSRUTSYOOAMAG-UHFFFAOYSA-N 374.429 3.991 0 40 FHAB Cc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)n1Cc1ccccc1 27151241 AGXMSWGXXVTFSW-UHFFFAOYSA-N 360.417 3.575 0 40 FHAB CC(C)C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1nc2ccccc2[nH]1 10959110 LJJTYQXJEJALQW-MRXNPFEDSA-N 351.406 3.809 0 40 FHAB COc1ccc(C(=O)[C@H](C)Sc2ccc(-n3nc(C)cc3C)nn2)cc1 11139972 AHVAWKUTVHYJSO-AWEZNQCLSA-N 368.462 3.651 0 40 FHAB Cc1nccn1-c1ccc(CNC(=O)c2ccc(Br)cc2)cc1 20110161 IUWSOAMCTZPKPT-UHFFFAOYSA-N 370.250 3.873 0 40 FHAB Cc1nnc(S[C@@H](C)C(=O)N(C)c2ccccc2)n1-c1ccccc1 3409813 VVCYIBRYIKPHOY-AWEZNQCLSA-N 352.463 3.719 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)c1cc(OC)c(OC)cc1OC 3552013 RABLZFXAFBCRJB-UHFFFAOYSA-N 365.813 3.935 0 40 FHAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(Br)cc1 3508734 ULPPFGOBSQEKRA-UHFFFAOYSA-N 362.223 3.861 0 40 FHAB Cc1cc(C)cc(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)c1 3553046 MWMZQUQHZWDMSK-UHFFFAOYSA-N 357.885 3.961 0 40 FHAB O=C(Nc1c(-c2ccccc2)nc2ccccn12)[C@@H]1COc2ccccc2O1 8710059 DBGYSJKVALCENE-SFHVURJKSA-N 371.396 3.780 0 40 FHAB Cc1cc(NC(=O)NCCSc2ccc(Br)cc2)no1 12972994 QLNLPNUSVVOFBT-UHFFFAOYSA-N 356.245 3.659 0 40 FHAB COc1cc(CNC(=O)c2cccc(C)n2)ccc1OCc1ccccc1 12987415 KXVMDUYGWFEDJW-UHFFFAOYSA-N 362.429 3.908 0 40 FHAB C[C@H](CNC(=O)[C@@H](C)Sc1nnc(C2CC2)n1C1CC1)c1ccccc1 12975697 TWCGPMJGHAIBTA-ZIAGYGMSSA-N 370.522 3.891 0 40 FHAB COC(=O)c1ccc([C@@H]2NC(=O)c3c(sc4c3CC[C@H](C)C4)N2)cc1 3647447 PCFVYSKRXYIUPA-MGPLVRAMSA-N 356.447 3.514 0 40 FHAB Cc1ccnc2nc(C(=O)N(Cc3ccc(F)cc3)C3CCCCC3)nn12 13018406 MMTCRIVCHATKDW-UHFFFAOYSA-N 367.428 3.547 0 40 FHAB CC(C)N1C(=O)S/C(=C\c2cccn2-c2ccc(N(C)C)cc2)C1=O 408961443 SVUCEJHVEYAZFS-ATVHPVEESA-N 355.463 3.988 0 40 FHAB O=C(Oc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1)c1cccs1 18241128 PPBITTWOOXDFPH-HUUCEWRRSA-N 355.415 3.647 0 40 FHAB O=C(Cn1cnc2ccc(Cl)cc2c1=O)c1ccc2c(c1)CCCC2 5084406 SRBIEPAPOYAIEZ-UHFFFAOYSA-N 352.821 3.812 0 40 FHAB Cc1nc(SCC(=O)c2ccc3c(c2)OCCO3)c2ccccc2n1 4221381 KYNQJYPNAHYXLU-UHFFFAOYSA-N 352.415 3.684 0 40 FHAB O=C(NCCCC(=O)N1CCC[C@H]1c1cccs1)NC1CCCCC1 39551157 XKDGJFBRVTZNSI-INIZCTEOSA-N 363.527 3.824 0 40 FHAB COc1ccc2c(ccn2CCC(=O)Nc2ccc(NC(C)=O)cc2)c1 13721698 MMZTZPXBSLDYHQ-UHFFFAOYSA-N 351.406 3.637 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nc(C)cs2)c1C 5101543 IVTSKEIKELKYPR-LLVKDONJSA-N 352.481 3.937 0 40 FHAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)cc1 5121377 UDADAKVQGDRFOA-UHFFFAOYSA-N 374.231 3.788 0 40 FHAB COc1ccc(/C=C2\N=C(c3ccc(NC(C)=O)cc3)OC2=O)cc1Cl 4470650 UPOAJZSNGCJGNW-YBEGLDIGSA-N 370.792 3.652 0 40 FHAB CCOC(=O)c1oc2ccccc2c1Cn1cc(C(F)(F)F)ccc1=O 14245888 AUDJBEPOPFLRDO-UHFFFAOYSA-N 365.307 3.838 0 40 FHAB CCN(CC)CCNC(=O)C[C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 4699404 PPHUVXIOOLULMS-KRWDZBQOSA-N 361.530 3.623 0 40 FHAB C[C@H](C(=O)N1CCC(c2nnc3n2CCCCC3)CC1)c1ccccc1 19459116 WDDKDFMZJNLSRF-INIZCTEOSA-N 352.482 3.514 0 40 FHAB Cc1cc(Cl)ccc1OCC(=O)OCc1cc(=O)oc2cc(O)ccc12 6642580 DKHQJXCXSRUROO-UHFFFAOYSA-N 374.776 3.583 0 40 FHAB CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1cccc(OC)c1 4736343 WVOCFSNLEGVVTO-UHFFFAOYSA-N 374.510 3.515 0 40 FHAB COc1ccc(C(=O)COC(=O)CSc2ccc(C)cc2C)c(OC)c1 4777671 YVUBCMJQVBVAOQ-UHFFFAOYSA-N 374.458 3.839 0 40 FHAB C[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)C1 4815960 RQYGBQGUEMQQBG-OXQOHEQNSA-N 364.445 3.843 0 40 FHAB O=C(CSc1nc(-c2cccs2)n[nH]1)NC12CC3CC(CC(C3)C1)C2 6883969 QJNHHOVXKZIZTA-UHFFFAOYSA-N 374.535 3.710 0 40 FHAB Cc1cn2c(CC(=O)Nc3ncc(Cc4ccccc4)s3)csc2n1 15545017 WOSFJKHSMWYHFO-UHFFFAOYSA-N 368.487 3.933 0 40 FHAB CC1CCC(N(C)C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)CC1 7240367 MSXDWJRJMPVERT-UHFFFAOYSA-N 367.493 3.774 0 40 FHAB Cc1c(/C=C2/SC(=O)NC2=O)c2ccccn2c1C(=O)c1ccccc1 7337479 FAZAIUJRTZBKSW-LFIBNONCSA-N 362.410 3.803 0 40 FHAB COc1ccccc1OCC(=O)OCc1nc(-c2ccc(Cl)cc2)no1 7425804 USNJPPNAIBZJDW-UHFFFAOYSA-N 374.780 3.521 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 16022684 CFOCFBIQYFQSEV-OAHLLOKOSA-N 366.436 3.656 0 40 FHAB COc1ccc(CCNc2nc3cc(C)nn3c3ccccc23)cc1OC 7779968 FXASSHTZXFKTBC-UHFFFAOYSA-N 362.433 3.863 0 40 FHAB CCCC(=O)Nc1ccc(C(=O)COC(=O)Cc2ccccc2C)cc1 7863705 HCHSMZJHMLNDPY-UHFFFAOYSA-N 353.418 3.702 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1cccc2c1CCCC2 9447281 AHZKECRZCNKCKH-UHFFFAOYSA-N 353.418 3.794 0 40 FHAB Cc1cc(C(=O)CSc2nnnn2C2CCCCC2)c(C)n1C1CC1 8324930 JNWJJHWJAUDXGQ-UHFFFAOYSA-N 359.499 3.907 0 40 FHAB CO[C@@H](C)c1cccc(NC(=O)c2ccccc2S(=O)(=O)C(C)C)c1 72087213 XCFGJQUCFVSHFQ-AWEZNQCLSA-N 361.463 3.828 0 40 FHAB Cc1cc2nc(N(C)CCOc3ccccc3F)c3ccccc3n2n1 84129375 VSHNPZKBJBGKAS-UHFFFAOYSA-N 350.397 3.845 0 40 FHAB CC(C)CN1Cc2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2C1 95455179 PZITYWWXRCNLJV-UHFFFAOYSA-N 366.433 3.737 0 40 FHAB O=C(COc1ccccc1)N1CCC(c2nnc(-c3ccco3)s2)CC1 23140812 FBSNXDKWBCSBJI-UHFFFAOYSA-N 369.446 3.583 0 40 FHAB Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccc(-c3nc[nH]n3)cc2)c1 95956523 QRYUMQRABZFBSP-GFCCVEGCSA-N 356.813 3.840 0 40 FHAB CC(=O)Nc1cc(NC(=O)NCCc2cccc(F)c2F)c(F)cc1F 95958718 KILAFCTYNSXXCM-UHFFFAOYSA-N 369.318 3.566 0 40 FHAB Cc1cccc(N(CCCC(=O)Nc2ccc(C)cc2C)S(C)(=O)=O)c1 113956052 MTULZPXUPFBUNG-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB CCOC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 33711003 YPKCZADOOOHWET-UHFFFAOYSA-N 353.827 3.626 0 40 FHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCN(c2ccccc2)CC1 38756888 GSGQIIKNNDHWOI-FQEVSTJZSA-N 352.478 3.810 0 40 FHAB O=C1NC(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)N1 408918719 OEIVFHDLTFHQPP-VGOFMYFVSA-N 363.200 3.753 0 40 FHAB Cc1ccc(NC(=O)Cc2cc(-c3ccc4c(c3)OCO4)on2)cc1F 35592754 USMAABQDCPWDDJ-UHFFFAOYSA-N 354.337 3.699 0 40 FHAB CC(C)Oc1ccc(C(=O)Nc2ncn(Cc3ccc(F)cc3)n2)cc1 32647683 UQEBUPOQDPWMDY-UHFFFAOYSA-N 354.385 3.505 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 38858345 HRERUBWYSNPFQB-GOSISDBHSA-N 354.425 3.879 0 40 FHAB O=C(N[C@@H](c1ccccc1)C1CCCCC1)c1cnc2sccn2c1=O 32380070 QHPKXISQSFAZNG-KRWDZBQOSA-N 367.474 3.807 0 40 FHAB COc1cc([C@H]2SC(C)=Nc3c2c(O)nn3C(C)C)cc(OC)c1O 71287277 VXELRWYVRXXRLB-OAHLLOKOSA-N 363.439 3.779 0 40 FHAB Cc1cccc(CN2CCC[C@H]2c2cncc(Nc3nncs3)n2)c1 72376316 ZMHYJYGSRBOSOT-INIZCTEOSA-N 352.467 3.717 0 40 FHAB CCCc1c(C(=O)N2CCC3(CCOCC3)C2)cnn1Cc1ccccc1 75339563 OEQYJDMPTMOJFU-UHFFFAOYSA-N 367.493 3.527 0 40 FHAB Cc1nn(CCNC(=O)Nc2cccc(Cl)c2)c(C)c1Br 36612154 BLKNMCMPWDHCKM-UHFFFAOYSA-N 371.666 3.738 0 40 FHAB COc1cccc([C@H]2C[C@@H](O)CN2c2ncc(F)c(-c3ccsc3)n2)c1 561227355 MQRNITFVOVZWOY-RHSMWYFYSA-N 371.437 3.665 0 40 FHAB O=C(O)[C@@H]1CC(=O)N(c2ccc3nc(-c4ccc(Cl)cc4)oc3c2)C1 70461349 YNOAWCVYYJXWOX-LLVKDONJSA-N 356.765 3.586 0 40 FHAB Cc1cc(Oc2ccccc2F)nc([C@H]2CCCN2Cc2nccn2C)n1 72384191 LNUGVBUXFFNLFR-MRXNPFEDSA-N 367.428 3.787 0 40 FHAB C[C@H]1C[C@@H](Nc2ncnc3cc(F)c(Br)cc23)c2nccn21 574248195 VPRZJNQETCYCAN-ISVAXAHUSA-N 362.206 3.846 0 40 FHAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1 222701527 WMAVFRAJWWYSKB-HZPDHXFCSA-N 355.434 3.719 0 40 FHAB CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1 224958571 NYMVZRDCPLMYSH-UHFFFAOYSA-N 369.870 3.881 0 40 FHAB C[C@H](COc1ccccc1)NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 224906973 HILLDWNKYHSUBQ-IAGOWNOFSA-N 353.462 3.916 0 40 FHAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(F)cc(Br)c1 40106536 GMMZKCGVQJSFAC-UHFFFAOYSA-N 366.186 3.589 0 40 FHAB COc1ccc(NC(=S)NCc2ccc(-n3ccnc3C)cc2)cc1 225456444 JEPNAYYYSYIBCR-UHFFFAOYSA-N 352.463 3.676 0 40 FHAB CCCCOc1ccc(NC(=O)C2(OC)CCCCC2)cc1C(=O)OC 225805115 NXJCXTLPIUVDLH-UHFFFAOYSA-N 363.454 3.940 0 40 FHAB COCc1ccc(NC(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)cc1 192565336 AVLQJRUXBHYKLO-FQEVSTJZSA-N 367.493 3.519 0 40 FHAB CCOC(=O)c1ccc(-c2ccc([C@H]3CC(O)=Nc4c3cnn4C)o2)cc1 49548060 LMAPRUILMGGJQU-AWEZNQCLSA-N 365.389 3.980 0 40 FHAB Cc1ccccc1CNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 223029307 GVCZOKKNLUMVEG-ZHZULCJRSA-N 360.413 3.675 0 40 FHAB COc1cc2c(cc1S(=O)(=O)Nc1ccc(F)cc1F)CCCC2 225458120 HFJQVOIDIRTCOI-UHFFFAOYSA-N 353.390 3.653 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)NCc2cccc(CN3CCCC3)c2)c1C 224623716 TWYYAIPYXJEIQX-IBGZPJMESA-N 366.505 3.983 0 40 FHAB O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)[C@@H]1CC(c2cccc(F)c2)=NO1 195528734 NHPUTVMGQZDRDF-IPYPFGDCSA-N 358.335 3.556 0 40 FHAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc2c(n1)[C@@]1(C)CC[C@H]2C1(C)C 245229571 BHHDRZXOUBBXFT-LKWXMQFFSA-N 374.554 3.928 0 40 FHAB C[C@H](NC(=O)N1CCC(c2ccon2)CC1)c1ccccc1-n1cccn1 660894388 DKXHTQMSKNILGF-HNNXBMFYSA-N 365.437 3.511 0 40 FHAB COc1ccc(-c2nc(CN3CC[C@@H](CN)C3)c(C)o2)c2ccccc12 67727337 YEARWIUHNOJCKN-HNNXBMFYSA-N 351.450 3.592 0 40 FHAB Cc1cc(C)nc(SCC(=O)N2CCCCC[C@@H]2c2ccncc2)n1 84114625 HLVDVUFLDLWJPR-QGZVFWFLSA-N 356.495 3.724 0 40 FHAB CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccccc3)nn2)CC1 1226499797 ABPSFRGRHIDIJI-UHFFFAOYSA-N 355.438 3.922 0 40 FHAB COc1ccc(C(=O)CSc2nnc3c4ccccc4n(C)c3n2)cc1 5042976 YFOQYDCULZPEHC-UHFFFAOYSA-N 364.430 3.500 0 40 FHAB O=C(O)c1ccc(CSc2nc3cc(Br)cnc3[nH]2)cc1 5626252 LAPIJMRFIZEVEC-UHFFFAOYSA-N 364.224 3.711 0 40 FHAB C[C@H]1CN(C)CC[C@@H]1CCc1ccc(NC(=O)c2n[nH]c3c2CCC3)cc1 12144913 ZDJXYZAJHDCBSI-RDJZCZTQSA-N 366.509 3.671 0 40 FHAB CN(C(=O)c1ccccc1NS(=O)(=O)c1ccccc1)c1ccccc1 13673872 LUMFATNVWUGRAR-UHFFFAOYSA-N 366.442 3.764 0 40 FHAB CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccnc2)C1 19081985 WTBFKTLBPMKSLY-UYAOXDASSA-N 366.509 3.592 0 40 FHAB Cc1ccc([C@@H](C)C(=O)N2CCC(c3nnc4n3CCCCC4)CC2)cc1 19135861 TVRLOLWJSKUFBD-QGZVFWFLSA-N 366.509 3.823 0 40 FHAB CC(=O)N1Cc2ccccc2O[C@@H]([C@H]2CCCN(Cc3ccc(C)o3)C2)C1 19216608 WXDOUYDZPYTWSA-PGRDOPGGSA-N 368.477 3.610 0 40 FHAB O=C(NCc1cccc(F)c1)c1cc(C2CCOCC2)c2cnccc2n1 19293915 GKVLYWNJMSYRKW-UHFFFAOYSA-N 365.408 3.593 0 40 FHAB Cc1oc2ncn3nc([C@H](C)NC(=O)CCC4CCCC4)nc3c2c1C 19559514 YFXJACOAAMUSIS-LBPRGKRZSA-N 355.442 3.635 0 40 FHAB O=C(C1CCC1)N1CCC[C@@H]1c1cc(CCOc2ccccc2F)[nH]n1 19703619 FRKRAKLUEDWAIJ-GOSISDBHSA-N 357.429 3.634 0 40 FHAB Cc1c(NC(=O)c2cc3ccccc3cc2O)c(=O)n(-c2ccccc2)n1C 10026148 LODGITNHKVDWID-UHFFFAOYSA-N 373.412 3.596 0 40 FHAB Cc1oncc1CN1CCC[C@@H](COc2ncccc2C(F)(F)F)C1 1775995828 KPWDRMYZVSPVJZ-CYBMUJFWSA-N 355.360 3.688 0 40 FHAB CCCn1cc(S(=O)(=O)CC(=O)Nc2cccc(C)c2)c2ccccc21 2722221 IVGMBRTUCVMCTI-UHFFFAOYSA-N 370.474 3.772 0 40 FHAB COc1ccccc1C(=O)N(CN1CCCC1=O)c1cccc(Cl)c1 4035245 FFWOKNUMULMWIZ-UHFFFAOYSA-N 358.825 3.575 0 40 FHAB C[C@@H]1Nc2ncnn2[C@H](c2cccc(Cl)c2)[C@@H]1C(=O)Nc1ccccc1 11694784 YVELEDCTDYXBMH-JCURWCKSSA-N 367.840 3.590 0 40 FHAB CC(C)(C)NC(=O)N1CCC[C@@H](COc2ncccc2C(F)(F)F)C1 1775972646 PLFQQJNDRRXJCL-GFCCVEGCSA-N 359.392 3.699 0 40 FHAB O=C(NCC[C@H](CCO)c1ccccc1)c1ccc(C(F)(F)F)cc1 206626018 SRPKCRNKDRDSQS-OAHLLOKOSA-N 351.368 3.992 0 40 FHAB COC(=O)c1ccc(C(=O)N(Cc2ccsc2)Cc2ccco2)cc1 42382024 KOMZVYVTUDUHTM-UHFFFAOYSA-N 355.415 3.970 0 40 FHAB Cn1ccnc1[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 27415258 ANUOXGOSBMOKCW-MRXNPFEDSA-N 359.351 3.958 0 40 FHAB O=C(NCCCc1nc2ccccc2[nH]1)c1cccnc1SC(F)F 32853802 JXUHVUYSWMUXCD-UHFFFAOYSA-N 362.405 3.635 0 40 FHAB COc1ccc(CN(C)C(=O)Cc2csc(-c3ccc(C)o3)n2)cc1 32816051 NECWTHHBVVSJNN-UHFFFAOYSA-N 356.447 3.921 0 40 FHAB O=C(NCc1ccccc1)C1CCN(c2ncccc2C(F)(F)F)CC1 32829142 SQCPYCQUIBSPHD-UHFFFAOYSA-N 363.383 3.633 0 40 FHAB NC(=O)[C@@H]1CCCCN1Cc1c(-c2ccc(Cl)cc2)nc2sccn12 102673326 SOKGSUVAFMRLIT-AWEZNQCLSA-N 374.897 3.556 0 40 FHAB Cc1cc(C(=O)N2CCCC[C@@H]2C)c2cnn(Cc3cccs3)c2n1 32908827 ZAZRQWTWXDTYRH-AWEZNQCLSA-N 354.479 3.864 0 40 FHAB C[C@H](Sc1nc2ccccc2s1)C(=O)NCc1ccc2c(c1)OCO2 2626037 HDTAHVQUGITXLL-NSHDSACASA-N 372.471 3.822 0 40 FHAB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1ccccc1F 1467235 QYMHBKWLFBQTQT-SFHVURJKSA-N 354.381 3.539 0 40 FHAB CN1CC[C@@H](CC(C(=O)N2CCCC2)(c2ccccc2)c2ccccc2)C1 1672574 SQHRAWGCFMHPMQ-FQEVSTJZSA-N 362.517 3.937 0 40 FHAB COC(=O)[C@H](C)OC(=O)[C@@H](C)Oc1cc(Cl)c(Cl)cc1Cl 1747428 IYCQKPMQPNQYHM-NKWVEPMBSA-N 355.601 3.519 0 40 FHAB Cc1ccc(C(=O)N2N=C3CCCC[C@@H]3[C@@]2(O)C(F)(F)F)cc1Cl 4199267 UDAUADKJEUEBMD-XHDPSFHLSA-N 360.763 3.901 0 40 FHAB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCC(C)(C)CN(C)C 61012147 ROVSYABUIVLWAU-UHFFFAOYSA-N 366.912 3.710 0 40 FHAB Cc1ccc(C(=O)N2N=C(C(F)(F)F)C[C@@]2(O)c2ccc(F)cc2)cc1 663264 WOHCWFPAHUOBPM-QGZVFWFLSA-N 366.314 3.744 0 40 FHAB Cc1cc2oc(=O)cc(C)c2c2c1C(=O)C[C@H](c1ccc3c(c1)OCO3)O2 12296564 OFVPAADORHJSSN-OAHLLOKOSA-N 364.353 3.845 0 40 FHAB biogenic Fc1ccc(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)cc1F 100755954 BYIXXDKPYIFJGI-AUUYWEPGSA-N 356.420 3.617 0 40 FHAB COc1cccc2c1N(C(=O)c1cnc3c(cnn3C(C)C)c1)CCC2 47447530 QCPBIIXWOLNYHE-UHFFFAOYSA-N 350.422 3.614 0 40 FHAB O=C1NC(=S)N/C1=C/c1ccc(Sc2ccc(Cl)cc2)s1 9324052 AHISAACCZNGCND-YRNVUSSQSA-N 352.893 3.898 0 40 FHAB COc1ccc(OC)c(CN(C(=O)c2cccc(N(C)C)c2)C2CC2)c1 26028799 SYVSYWXXNDBGKH-UHFFFAOYSA-N 354.450 3.575 0 40 FHAB Fc1ccccc1-n1cnnc1SCc1nc(-c2cccs2)no1 12542800 OWMTZUDZQKTMQS-UHFFFAOYSA-N 359.411 3.810 0 40 FHAB CCC[C@H](c1nnnn1C1CCCCC1)N1CCN(c2ccccc2)CC1 57669488 PULVIYOUVIFTLF-HXUWFJFHSA-N 368.529 3.842 0 40 FHAB COc1ccc(NC(=O)[C@@H](C)Oc2c(F)c(F)cc(F)c2F)cc1OC 12682450 GBMZQCAPLBENEF-MRVPVSSYSA-N 373.302 3.666 0 40 FHAB C[C@H]1CN(Cc2ccc(CNC(=O)c3ccc(F)cc3F)cc2)C[C@@H](C)O1 48275203 AOWCKKIEGUIEPC-GASCZTMLSA-N 374.431 3.504 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc(NC(=O)C2CC2)c1 10767432 WECBLGAMHCQGIE-ZDUSSCGKSA-N 372.852 3.772 0 40 FHAB Fc1ccc(CN2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1 20058106 BXXXUHPRKTUHJD-UHFFFAOYSA-N 353.485 3.612 0 40 FHAB COc1c(Cl)cc(C(=O)NC(=S)Nc2ccccn2)cc1Cl 59437951 VAWRAWICYDUJHE-UHFFFAOYSA-N 356.234 3.524 0 40 FHAB NC(=O)[C@H](OC(=O)c1sccc1-c1ccc(F)cc1)c1ccccc1 62310012 WOIDVNSRALRQPV-MRXNPFEDSA-N 355.390 3.938 0 40 FHAB Cc1ccc(O)c(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c1 12816313 GPIDIMKATNKSBK-UHFFFAOYSA-N 367.232 3.718 0 40 FHAB C[C@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc2ccccc2c1 12807083 BXRRPRGKQXITBK-HNNXBMFYSA-N 367.470 3.875 0 40 FHAB O=C(Nc1ccccc1Br)c1ccc(N2CCCC2=O)cc1 12852315 DHVQGIUAHXCQFS-UHFFFAOYSA-N 359.223 3.828 0 40 FHAB COc1cccc(CNC(=O)c2ccc(OCc3csc(C)n3)cc2)c1 12917624 DBXLZLGAXCYUGY-UHFFFAOYSA-N 368.458 3.969 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(OCC)c(OCC)c1 27395481 QCMYBJGJBSHOQM-UHFFFAOYSA-N 370.449 3.876 0 40 FHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)n1cnc2ccccc2c1=O 13555322 LBZOKDRRYBNYHJ-JTQLQIEISA-N 362.216 3.903 0 40 FHAB COc1ccc2c(c1)OC[C@@H](C(=O)NCCc1cccc3ccccc13)C2 64389961 IYXYXOVYIVXRCW-IBGZPJMESA-N 361.441 3.758 0 40 FHAB CCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1OCCCC 4113548 MHTGMNDFESSUDE-GOSISDBHSA-N 360.454 3.837 0 40 FHAB COC(=O)[C@@H](Sc1nc2sc(C)c(C)c2c(=O)n1C)c1ccccc1 8924811 GYJGURBKQUOYKK-AWEZNQCLSA-N 374.487 3.618 0 40 FHAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3)n2C)cc1 6140264 BZAHNSJMZYDSAB-CYBMUJFWSA-N 353.447 3.854 0 40 FHAB Cc1cc(C(=O)Nc2nc3cc(F)c(F)cc3s2)c2c(C)noc2n1 65562421 RYFOLTRYWQASHE-UHFFFAOYSA-N 360.345 3.980 0 40 FHAB Cc1ccc(-c2ccc(=O)n(CC(=O)N3CCCc4ccccc43)n2)cc1C 5401752 XFGVNWAWIBGSNB-UHFFFAOYSA-N 373.456 3.507 0 40 FHAB COc1ccc(OC)c(C(=O)OCC(=O)Nc2c(C)cccc2C(C)C)c1 6552054 MRXSARQEJZZJEJ-UHFFFAOYSA-N 371.433 3.931 0 40 FHAB COc1ccc(CC(=O)NCCc2ccc(Cl)cc2Cl)cc1OC 7717285 YKXSDFIHVALXJW-UHFFFAOYSA-N 368.260 3.912 0 40 FHAB CCCCN1C(=O)c2ccc(C(=O)Nc3cccc4cccnc34)cc2C1=O 7778624 QEKIXJVIZRGVFH-UHFFFAOYSA-N 373.412 3.883 0 40 FHAB COc1ccc(C(=O)/N=c2\sc(C)c(-c3ccc(OC)cc3)n2C)cc1 409205158 MYUZKFORIMIROR-MRCUWXFGSA-N 368.458 3.820 0 40 FHAB Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(F)c3C)n2C)c1 409144855 GXNLSMJNZKMIKM-UHFFFAOYSA-N 370.453 3.969 0 40 FHAB Cc1nnc(COC(=O)CSc2nccn2-c2ccc(C(C)C)cc2)o1 7988896 BAXDZHXFXQLJLN-UHFFFAOYSA-N 372.450 3.523 0 40 FHAB Cc1ccc(C)c(OCCC(=O)OCC(=O)Nc2cc(F)ccc2C)c1 8075717 MDWOVLCVVWJALW-UHFFFAOYSA-N 359.397 3.702 0 40 FHAB CCn1c(SCC(=O)OC)nnc1[C@H](C)Oc1cc(C)ccc1Cl 17075825 JRRRIMUUTXIJBS-NSHDSACASA-N 369.874 3.665 0 40 FHAB COc1ccc(CNC(=O)c2ccc(CN3CCCCC3)cc2)cc1OC 17298859 KPIQVUGDIVCCCD-UHFFFAOYSA-N 368.477 3.620 0 40 FHAB Cc1nn(CC(C)C)c2sc(C(=O)NCc3ccc4c(c3)OCO4)cc12 9647226 YBQKDWMAWNIPFV-UHFFFAOYSA-N 371.462 3.721 0 40 FHAB Cc1ccc([C@@H](NS(=O)(=O)Cc2cc(C)no2)c2ccccc2)cc1 72301839 BNTMIRRNMPMUKF-IBGZPJMESA-N 356.447 3.500 0 40 FHAB Cc1ccc2cc(C(=O)NCCc3nc4ccc(F)cc4[nH]3)c(C)nc2c1 72306679 IXZGUKRYHUPBSB-UHFFFAOYSA-N 362.408 3.840 0 40 FHAB O=C1[C@@H](N2CCC(Nc3ccccc3)CC2)CCN1c1ccccc1F 84553397 FDXMUHHEGKGRIP-FQEVSTJZSA-N 353.441 3.508 0 40 FHAB CN1CCC(C)(CNC(=O)c2ccc(SCc3cccnc3)cc2)CC1 95468524 MCEMIXHLDCPEHR-UHFFFAOYSA-N 369.534 3.836 0 40 FHAB CS(=O)(=O)CC1(CN(Cc2c(F)cccc2F)C2CCCC2)CC1 89484200 SLAZDMLTONISRG-UHFFFAOYSA-N 357.466 3.534 0 40 FHAB NC(=O)[C@@H](CNCc1c(Cl)cccc1Cl)Cc1ccc(F)cc1 89768049 HBXFSABXLMVNDG-GFCCVEGCSA-N 355.240 3.566 0 40 FHAB C(=C/c1nnnn1Cc1ccc(OCc2ccccn2)cc1)\c1ccccc1 89821483 BQPWTMABWYSOPQ-SDNWHVSQSA-N 369.428 3.866 0 40 FHAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2C)c1 409382591 UODNRMGPBOXTDF-UHFFFAOYSA-N 372.490 3.649 0 40 FHAB COc1ccccc1CNC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 38848814 YYFTXJSOXGETMZ-SFHVURJKSA-N 372.896 3.877 0 40 FHAB C[C@]1(NC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)CCCc2ccccc21 1519900799 BFENFKOQYLBHRA-CTNGQTDRSA-N 370.399 3.826 0 40 FHAB Cc1cc2nc3s/c(=C\c4ccc(OC(C)C)cc4)c(=O)n3c2cc1C 409389533 BWPODJWNJJLSJT-ODLFYWEKSA-N 364.470 3.861 0 40 FHAB COc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1COc1cc(C)ccc1C 36612338 WVBGUDRQZQPLDD-QFBILLFUSA-N 373.474 3.679 0 40 FHAB COc1ccc(C(=O)Nc2nnc(Cc3ccc(SC)cc3)o2)cc1 35588369 FBTIXRGYWRYLFG-UHFFFAOYSA-N 355.419 3.643 0 40 FHAB O=C(O)c1c(Cl)cc(Cl)c(I)c1Cl 36416817 GWANHFZTQLMBAH-UHFFFAOYSA-N 351.354 3.950 0 40 FHAB O=C(Nc1cccnc1)c1cnn(-c2ccc(F)cc2F)c1-n1cccc1 49545048 AOCMJNPGEPZDLG-UHFFFAOYSA-N 365.343 3.589 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 224393774 KYPJYKWMCZCAOU-HXUWFJFHSA-N 370.468 3.620 0 40 FHAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCCCC1 225804819 CYYQRVYOOAPEJR-UHFFFAOYSA-N 353.344 3.701 0 40 FHAB COc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3C)no2)cc1C 225824636 MXHBPWISXICBBT-UHFFFAOYSA-N 351.406 3.634 0 40 FHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Cc1ccc(OC)c(C)c1 224730054 PUNBXHRHEHBZDO-GOSISDBHSA-N 369.461 3.973 0 40 FHAB Cc1ccc(/C=C/S(=O)(=O)N2CC(c3nc4ccc(C)cc4[nH]3)C2)cc1 75156475 QFPSUVSDTITXSD-MDZDMXLPSA-N 367.474 3.580 0 40 FHAB CCOC(=O)COc1ccc(NC(=O)C(C)(C)Cc2ccccc2)cc1 225942276 NMAGXGSZJWDEMI-UHFFFAOYSA-N 355.434 3.836 0 40 FHAB CCN(c1ccc(C(=O)NC(C)(C)CC)cc1)S(=O)(=O)c1ccccc1 224366146 PFFNDCRSYKQVRV-UHFFFAOYSA-N 374.506 3.820 0 40 FHAB CCC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC1CCCCC1 224787957 YYTBGUNDOVSCBT-CQSZACIVSA-N 350.890 3.916 0 40 FHAB Cc1ccc(CN2CCC[C@]3(CCC(=O)N3Cc3ccncc3)CC2)s1 96047537 YXAAGUPRVYGFPN-NRFANRHFSA-N 369.534 3.999 0 40 FHAB COc1cccc(NC(=O)Cc2noc(C[C@@H]3C[C@H]3c3ccccc3)n2)c1 585084233 OQRDTSSBFRDOKC-YJBOKZPZSA-N 363.417 3.606 0 40 FHAB O=C(CC1=CCCCC1)N1CCC2(CC1)C[C@@H](Oc1cccnc1)CO2 96106742 QEMNEWOBNRIDBL-LJQANCHMSA-N 356.466 3.501 0 40 FHAB Cc1ccccc1C(=O)NC1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 98212570 CVKRQOUBGVQPHP-UHFFFAOYSA-N 360.461 3.784 0 40 FHAB COCCN(Cc1ccoc1)C(=O)COc1ccc(Cl)cc1Cl 85474357 HSXCLFFFJYOXAB-UHFFFAOYSA-N 358.221 3.640 0 40 FHAB CCCCOc1ccc(NC(=O)NC[C@@H](O)c2ccc(N(C)C)cc2)cc1 90612028 GLABLIFFZRSRDG-HXUWFJFHSA-N 371.481 3.787 0 40 FHAB O=C(NCCc1c[nH]c2ccccc12)[C@H]1CCCN1c1nc2ccccc2o1 96122578 XVHVWCVCWOZAOI-LJQANCHMSA-N 374.444 3.637 0 40 FHAB COCC[C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2)Cc2cccn2C1 585095490 SZWPELRHCUVCJZ-ZDUSSCGKSA-N 350.821 3.589 0 40 FHAB CC(C)(C)OC(=O)N[C@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)O 44295073 IVLQWSYPQAZKEO-QGZVFWFLSA-N 357.406 3.999 0 40 FHAB COCc1ccc(CN[C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)o1 680145513 STICHGHCHPIJJP-VLCRHTCISA-N 354.494 3.816 0 40 FHAB COc1ccccc1NCN1C(=O)S/C(=C\c2cccc(F)c2)C1=O 1028974 JUGUKIYABPPZCP-YBEGLDIGSA-N 358.394 3.940 0 40 FHAB CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@H]2CCC[C@H](C)C2)cc1 5002908 PMGWXNCNYNOQLI-SOVGHPHASA-N 372.465 3.835 0 40 FHAB O=C(O)Cc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 13439684 VECWSXJFDSOPQF-UHFFFAOYSA-N 368.614 3.982 0 40 FHAB Cc1cc(C)c(S(=O)(=O)NCCSCc2ccccc2F)c(C)c1 13673586 CUDUJVKQZQTHSE-UHFFFAOYSA-N 367.511 3.963 0 40 FHAB FC(F)n1c(CSc2nnnn2C2CCCC2)nc2ccccc21 14903092 PMBSITQMRLDXNU-UHFFFAOYSA-N 350.398 3.825 0 40 FHAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCCC(C)C)c2)c1 15499926 OXQXONQKOZNBRM-UHFFFAOYSA-N 360.479 3.572 0 40 FHAB CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccnc2)C1 19081989 WTBFKTLBPMKSLY-AZUAARDMSA-N 366.509 3.592 0 40 FHAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)C4CC4)C3)cc2N1 19451312 CLBWDPZFSBDBOA-VNHYZAJKSA-N 370.419 3.553 0 40 FHAB CCOc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)cc1 30505267 MQKVNWHGQFCVBT-MRXNPFEDSA-N 351.493 3.981 0 40 FHAB COc1cc2c(cc1CN[C@H](c1ccccc1)c1nccn1C)O[C@@H](C)C2 30643477 XLPGIVOPMKAQCC-YCRPNKLZSA-N 363.461 3.631 0 40 FHAB COc1cc(COC(=O)c2cnc3ccccc3n2)ccc1OC(F)F 36781946 PQZWAGNFBGWGIW-UHFFFAOYSA-N 360.316 3.597 0 40 FHAB O=C1N(c2ccccc2)CCCC[C@@]12CN(Cc1cccs1)CCO2 2037981083 TZOUGSDEVBQZQD-HXUWFJFHSA-N 356.491 3.536 0 40 FHAB CC1=C(C(=O)O[C@H](C)C(C)(C)C)[C@H](c2ccc(Cl)cc2)NC(=O)N1 706499 NXMVPKJCXSMFSL-ABAIWWIYSA-N 350.846 3.946 0 40 FHAB Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc3c(c2)OCO3)n1 1431862 JSAIRHVHSYQFOW-UHFFFAOYSA-N 359.389 3.905 0 40 FHAB Cn1cc(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c2ccccc21 4901653 FOMMMTPYKOHMME-UHFFFAOYSA-N 367.880 3.723 0 40 FHAB Cc1cccc2sc(NC(=O)N[C@H]3CC(=O)N(c4ccccc4)C3)nc12 5123225 KXKDKIPMVFKIHR-ZDUSSCGKSA-N 366.446 3.532 0 40 FHAB COc1cccc(NC(=O)c2ccc(=O)n(Cc3cccc(Cl)c3)c2)c1 15883223 CCVXYXTUNVZHEP-UHFFFAOYSA-N 368.820 3.811 0 40 FHAB CC(=O)N[C@H]1C(=O)N(CCCOc2ccc(C)cc2)c2ccc(Cl)cc21 100485779 VELSOHBGARBYKK-LJQANCHMSA-N 372.852 3.641 0 40 FHAB O=C(COc1ccc(Cl)cc1)N(Cc1cccs1)C1CCOCC1 206673521 OHOQWXYYFRXWKM-UHFFFAOYSA-N 365.882 3.988 0 40 FHAB COCCNC(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1 38671368 GESDYLWLLHVVSU-UHFFFAOYSA-N 352.268 3.946 0 40 FHAB COc1cc(OC)cc(C(=O)NCCc2ccc(Br)s2)c1 10499809 AJPJAMREGZBWHA-UHFFFAOYSA-N 370.268 3.500 0 40 FHAB COc1ccc(CN(C)C(=O)c2cc(C3CC3)nc3onc(C)c23)cc1 40025590 OXKVHPQBBPVNQX-UHFFFAOYSA-N 351.406 3.689 0 40 FHAB NC(=O)c1ccc(CN(C(=O)Nc2nc3ccccc3s2)C2CC2)cc1 40067700 MRQXYZORGIYJJN-UHFFFAOYSA-N 366.446 3.592 0 40 FHAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N1CCC[C@@H]1c1ccncc1 40050691 FRYNZOUQNKKEPB-OAHLLOKOSA-N 374.366 3.814 0 40 FHAB O=C(COc1ccc(Cl)cc1)NCCc1csc(-c2ccncc2)n1 31773236 XZSQDDLTMOGQET-UHFFFAOYSA-N 373.865 3.596 0 40 FHAB COc1ccc([C@H](C)NC(=O)NCc2cnn(-c3ccccc3)c2)cc1F 32795355 YDNUOYLEKUORNG-AWEZNQCLSA-N 368.412 3.580 0 40 FHAB Cc1ccc(N[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1F 102272510 HICCSHUFSHPKMX-HNNXBMFYSA-N 366.314 3.897 0 40 FHAB CCCc1nnc(S)n1CC(=O)N[C@H](CC(C)(C)C)c1ccccc1 32925294 UAOJBKDMMJZUFQ-OAHLLOKOSA-N 360.527 3.813 0 40 FHAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1cc(=O)c2ccccc2o1 79070712 NWPDZIROLAMPHY-INIZCTEOSA-N 362.429 3.664 0 40 FHAB CC1=Nc2c(c(C)nn2Cc2ccccc2)[C@@H](c2ccc[nH]c2=O)S1 79501737 NTQRWMAYQHGYQE-QGZVFWFLSA-N 350.447 3.814 0 40 FHAB C[C@H](NC(=O)[C@@H]1CCCO1)c1ccc(NC(=O)Nc2ccccc2)cc1 42091779 XZIOPQGHDIVPGJ-KSSFIOAISA-N 353.422 3.687 0 40 FHAB CCOc1ccc(CC(=O)Nc2ccc(NC(C)=O)cc2)cc1OCC 674865 CCRJALYXXBHLFT-UHFFFAOYSA-N 356.422 3.624 0 40 FHAB Cc1cccc(C)c1OCCOc1cccc(/C=C2/SC(=N)NC2=O)c1 6886893 HESXULSKEPVSKO-SFQUDFHCSA-N 368.458 3.900 0 40 FHAB O=C(O)c1ccc(-n2cccc2/C=N/NC(=O)c2ccc(Cl)cc2)cc1 6971158 WMXIOCJNZBHWPM-CIAFOILYSA-N 367.792 3.593 0 40 FHAB O=C(COC(=O)c1cccs1)Nc1ccc(Br)c(Cl)c1 7939941 ACTYXFUJRIHWLO-UHFFFAOYSA-N 374.643 3.960 0 40 FHAB COc1ccc(C(C)=O)cc1CN1CCC[C@@H](C(=O)Nc2ccccc2)C1 12284549 CFTXNFVHKWQGFY-GOSISDBHSA-N 366.461 3.749 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)Nc1ccccc1 8416192 FLGSGOSHNMWUJS-UHFFFAOYSA-N 374.824 3.549 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)o2)cc1 802439 XTNGTGYWVHUUKA-SWLSCSKDSA-N 361.467 3.532 0 40 FHAB COCc1cc(C)nc2sc(C(=O)Nc3ccc(F)cc3F)c(N)c12 814638 NJVOQHOWTSLSNT-UHFFFAOYSA-N 363.389 3.864 0 40 FHAB CN(C)c1ccc(CCC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 23074416 MGYWFVIHTFLUMS-UHFFFAOYSA-N 369.856 3.558 0 40 FHAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 23270005 ZCMSYBCLPXLLOL-UHFFFAOYSA-N 373.334 3.922 0 40 FHAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3cc(F)ccc3C)c2C)n1 24543230 KXIQTQONMZUEBF-UHFFFAOYSA-N 367.428 3.525 0 40 FHAB CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2N2CCCCCC2)cc1 25054839 MXUAKHTYZSGJTL-UHFFFAOYSA-N 372.490 3.723 0 40 FHAB O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(-c2ccccc2)[nH]n1 12558953 WQJRIUYHWJVERR-UHFFFAOYSA-N 361.323 3.905 0 40 FHAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CCC1CCCC1)CC3 25452463 IZTFQGFGABLITQ-UHFFFAOYSA-N 354.450 3.810 0 40 FHAB COc1ccccc1[C@H](CNC(=O)[C@H]1C[C@H]2CC[C@H]1C2)N1CCCCC1 107135011 RMXACZLFLZOSLX-ZULIPRJHSA-N 356.510 3.775 0 40 FHAB COc1ccc([C@@H]2CCCCCN2C(=O)CCNC(=O)c2ccco2)cc1 24392549 XSDDJZQKONCSGG-SFHVURJKSA-N 370.449 3.552 0 40 FHAB CC[C@@H](NC(=O)NCc1cccc(C(=O)N2CCCC2)c1)c1cccs1 57243085 DPMXFHHRSPYUJY-QGZVFWFLSA-N 371.506 3.935 0 40 FHAB CC(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2Cl)c1 57498123 RCMAUEZQMPBNOS-UHFFFAOYSA-N 352.843 3.716 0 40 FHAB C[C@@H](Sc1nnc(N2CCCC2)s1)C(=O)c1c[nH]c2ccccc12 52911807 WGLJVXBWDFBCCE-LLVKDONJSA-N 358.492 3.983 0 40 FHAB COc1ccc(SCC(=O)Nc2ccccc2C(=O)NC(C)C)cc1 20036606 NNLCQJNPBBMOKM-UHFFFAOYSA-N 358.463 3.564 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)COc1cc(C)ccc1Cl 12681468 TXDDJCYKHYSJPJ-UHFFFAOYSA-N 362.813 3.633 0 40 FHAB Cc1nc2cc(C(=O)N[C@H]3CCSc4ccc(F)cc43)ccc2n1C 58159621 KDNYUJFMTIBPLH-HNNXBMFYSA-N 355.438 3.988 0 40 FHAB O=C(O)c1sccc1S(=O)(=O)Nc1ccc2c(c1)Cc1ccccc1-2 12605854 JETVVPOWRRULPF-UHFFFAOYSA-N 371.439 3.818 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)NC[C@@H]1CCCN(Cc2cccs2)C1 58201189 MLIQQVNHFZDYPW-INIZCTEOSA-N 367.518 3.800 0 40 FHAB C[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 10111976 HXOFLNKCDSSVHW-CQSZACIVSA-N 374.506 3.847 0 40 FHAB Cc1cc(N2CCOCC2)ccc1NC(=O)CCOc1cccc(Cl)c1 25274706 MWOZLFRXUFXECU-UHFFFAOYSA-N 374.868 3.893 0 40 FHAB CC(=O)Nc1ccc(NC(=O)CN(C)Cc2c(F)cccc2Cl)cc1 3388671 MAMWQLIPNVKYLF-UHFFFAOYSA-N 363.820 3.508 0 40 FHAB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cnccn1 2389115 IORGMAFCZNUOLI-SFHVURJKSA-N 352.777 3.911 0 40 FHAB CC(C)Cc1ccc(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 10969087 BWAHJPSLGBJKNX-INIZCTEOSA-N 373.518 3.709 0 40 FHAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)Cn1cnc2ccccc21 3358802 LPUJNCMCZBDJCN-GJYPPUQNSA-N 372.465 3.584 0 40 FHAB C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC[C@H](C(F)(F)F)C1 11217949 DVZHCVANKATPKQ-MNOVXSKESA-N 366.330 3.889 0 40 FHAB CC(=O)Nc1ccc(NC(=O)COc2ccc(C(C)=O)cc2)cc1Cl 12738894 DYUDOTPBTFQUED-UHFFFAOYSA-N 360.797 3.519 0 40 FHAB C[C@@H]1c2cccn2CCN1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 12750918 ASWMBYQABRPGKY-WIYYLYMNSA-N 362.473 3.972 0 40 FHAB CC(C)(C)C(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3CCCO3)n2)cc1 12808986 CYILWMNXWRFNDQ-HNNXBMFYSA-N 373.478 3.912 0 40 FHAB CCN(C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccccc1 12860815 LZMDFRFBSJQEHN-BUHFOSPRSA-N 362.473 3.992 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)Cc2coc3cc(OC)ccc23)c1 3555962 HGXLTFDZANANEQ-UHFFFAOYSA-N 353.374 3.718 0 40 FHAB CC(=O)c1ccc(OCCCC(=O)N[C@H]2CCOc3ccccc32)cc1 12919466 YDQRCWGYXXWEGB-IBGZPJMESA-N 353.418 3.688 0 40 FHAB O=C(O)c1csc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)c1 13300072 FFLJNWLLPAJDOR-UHFFFAOYSA-N 373.455 3.838 0 40 FHAB COCCn1c([C@H]2CC(=O)N(c3cccc(C)c3C)C2)nc2ccccc21 8845078 HTAYPSKLXLWFCY-KRWDZBQOSA-N 363.461 3.820 0 40 FHAB CCCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccc(OC)cc1 13583065 NTQBNMULYYVITM-UHFFFAOYSA-N 350.418 3.870 0 40 FHAB CCOC(=O)c1ccc(-c2ccc([C@@H]3CC(O)=Nc4c3cnn4C)o2)cc1 49548058 LMAPRUILMGGJQU-CQSZACIVSA-N 365.389 3.980 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C2CC2)cc1 5120099 DNVZTZREFSAICF-OAHLLOKOSA-N 372.490 3.634 0 40 FHAB C[C@H](Sc1nncn1C1CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 14092980 HZCQIBBRANJRHR-VIFPVBQESA-N 372.372 3.631 0 40 FHAB CCCCCC[C@@H](C)NC[C@@H](O)COc1ccc(C(=O)OCC)cc1 14094904 VVXQWQNIIRTXJZ-SJLPKXTDSA-N 351.487 3.552 0 40 FHAB CCc1sc(C(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1C 5364250 CUTKOSZRTVTXMX-GFCCVEGCSA-N 374.462 3.761 0 40 FHAB CCCOc1c(Br)cc(C(=O)Nc2nccs2)cc1OC 6431135 UQJZXCHXCRLIHU-UHFFFAOYSA-N 371.256 3.955 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nn1cnc2ccccc21 14196439 IBSYCHXSYDNOGQ-JTQLQIEISA-N 350.205 3.881 0 40 FHAB COc1ccc([C@H](NC(=O)c2cc(OC)c(OC)cc2OC)C(C)C)cc1 14139950 VCQGGNHUESYYEM-HXUWFJFHSA-N 373.449 3.848 0 40 FHAB COc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccsc2)c1 14185548 JETOJWSAAFSLQP-UHFFFAOYSA-N 366.442 3.939 0 40 FHAB COc1cc(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)ccc1C 14527564 HKIITGNXUBJXMK-UHFFFAOYSA-N 359.495 3.944 0 40 FHAB CC(C)CCNC(=O)COCC(=O)N(c1ccccc1)c1ccccc1 4704254 YCHMGTMFWJFXKW-UHFFFAOYSA-N 354.450 3.530 0 40 FHAB CC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 4706354 JRESRVQKAJVLRK-GFCCVEGCSA-N 366.870 3.669 0 40 FHAB O=C(CSc1nncs1)Nc1ccc(OCc2ccccc2)cc1 6790172 HNVCDQXHHSTLAH-UHFFFAOYSA-N 357.460 3.848 0 40 FHAB COc1cc2ccccc2cc1C(=O)OCC(=O)N[C@@H]1CCCC[C@H]1C 4836148 GOVHUJNNKCRNCM-RDTXWAMCSA-N 355.434 3.700 0 40 FHAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2)c1 15417511 HDMZLKAIUJPJEO-UHFFFAOYSA-N 366.870 3.621 0 40 FHAB C[C@@H](NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)N1CCCC1 8312262 BSVGMODSRUXWCO-XLIONFOSSA-N 361.489 3.900 0 40 FHAB Oc1nc(CN(Cc2cccs2)C[C@H]2CCCO2)nc2ccsc12 17307986 ILXJLKCZGFGOHZ-GFCCVEGCSA-N 361.492 3.640 0 40 FHAB O=C(Cc1ccc(N2CCCC2=O)cc1)N[C@H]1CCSc2ccccc21 9478403 DUEKXEYSHLNVTH-SFHVURJKSA-N 366.486 3.709 0 40 FHAB CN1CCN(c2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2)CC1 9613737 INQXQFDRJOWUGR-UHFFFAOYSA-N 365.811 3.622 0 40 FHAB CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(F)cc1F 9690206 QACFYPHSKKJJSM-UHFFFAOYSA-N 371.387 3.644 0 40 FHAB CCNC(=O)NC(=O)[C@@H](C)Sc1ccc(Cl)c(C(F)(F)F)c1 9790816 BDPQXJJRCPPBOI-SSDOTTSWSA-N 354.781 3.685 0 40 FHAB Cc1cc(-c2nnn(C[C@@H](O)c3ccccc3C(F)(F)F)n2)ccc1F 95385749 NHFMFQJTKWVRMQ-OAHLLOKOSA-N 366.318 3.540 0 40 FHAB C[C@H](NC(=O)N[C@@H]1CCc2ccccc21)c1nc(-c2ccc(F)cc2)no1 84667750 SPMXPIPZFALCIK-YVEFUNNKSA-N 366.396 3.923 0 40 FHAB CC(C)[C@@H]1CCCN1c1ccc(NC(=O)CCc2cnn(C)c2)cc1F 95992942 GVLUUCOYIWOTQR-SFHVURJKSA-N 358.461 3.755 0 40 FHAB CCN(CC)c1ccc2cc(C(=O)NCCc3ccccc3)c(=O)oc2c1 408808748 NDGLVCYAOWWRQX-UHFFFAOYSA-N 364.445 3.612 0 40 FHAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc3ccccc3c2)c1 28196005 XTGFYPMNMOKODF-UHFFFAOYSA-N 355.415 3.736 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 1561068773 RHZAAMBVJPHILU-DYVFJYSZSA-N 357.903 3.938 0 40 FHAB Cc1nc2ccccc2n1Cc1nc(O)c2cc(Br)ccc2n1 504501802 DQSVTUOJCQUDID-UHFFFAOYSA-N 369.222 3.804 0 40 FHAB O=C(O)[C@H]1CS[C@H](c2ccc(Sc3nc4ccccc4s3)o2)N1 408994532 ZOWWNPGSLOWSRD-NOZJJQNGSA-N 364.473 3.829 0 40 FHAB O=C(N[C@@H]1CCCc2c1cnn2-c1ccccn1)[C@H]1C[C@@H]1c1ccccc1 71195688 RHHXNHGQVFCMPF-ZIFCJYIRSA-N 358.445 3.565 0 40 FHAB O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@@H]2Oc1ccccc1Cl 35682669 JKURKQZIPFCXLG-INIZCTEOSA-N 360.841 3.762 0 40 FHAB CNc1ncc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1C 72219019 MZPRVZNULNUUBI-SFHVURJKSA-N 359.495 3.656 0 40 FHAB O=S(=O)(NC[C@@H](O)c1cccc2ccccc12)c1ccccc1Cl 70636109 WOULMLSTCVMSPN-QGZVFWFLSA-N 361.850 3.505 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 219054442 SRYXEGFWQOXDJO-UONOGXRCSA-N 363.841 3.700 0 40 FHAB Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2C(=O)C2CCC2)n1 72376988 QDMZGIZBUWRGJZ-QGZVFWFLSA-N 354.429 3.719 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 223577182 IPAKUABWSMGRNL-INIZCTEOSA-N 372.896 3.744 0 40 FHAB COc1cccc(O[C@@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)c1 225631453 SIFHXHRTUALPBP-LBPRGKRZSA-N 353.340 3.798 0 40 FHAB Cc1cc(NC(=S)NCCCN2CCCC2)ccc1Br 225433183 FQXRAKVYWKLWIE-UHFFFAOYSA-N 356.333 3.530 0 40 FHAB CO[C@](C)(C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1)C1CC1 225644498 IQEHSDMJHKWJAR-QFIPXVFZSA-N 374.525 3.941 0 40 FHAB CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(Cl)cc1 224705019 VGJLXBVLELELEM-UHFFFAOYSA-N 355.843 3.572 0 40 FHAB COc1ccc(NC(=S)N[C@@H](C)COc2ccccc2C)cc1OC 225634929 LDOHBRPVJAEKMV-AWEZNQCLSA-N 360.479 3.766 0 40 FHAB COc1ccc(CCC(=O)NCc2cccc(CN3CCCC3)c2)cc1C 224638017 OBZXEPNMBHRMHD-UHFFFAOYSA-N 366.505 3.848 0 40 FHAB C[C@@H](NC(=O)Cn1ccc(=O)c2cc(Cl)ccc21)c1ccc(F)cc1 225725756 FRTOHQRJMHTQHP-GFCCVEGCSA-N 358.800 3.671 0 40 FHAB COc1ccc(C(=O)N[C@@H]2CCCc3c2[nH]c2ccc(OC)cc32)cc1 96220907 ZMVRFYRDMZULJW-LJQANCHMSA-N 350.418 3.993 0 40 FHAB biogenic O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)/C(=C/c1cccs1)NC(=O)c1ccccc1 260841212 KPNDTHLCHDTJHF-OUKQHDQJSA-N 366.486 3.824 0 40 FHAB COC1(C(=O)Nc2ccc(OCCN3CCC[C@H](C)C3)cc2)CCCC1 260812485 CTSZYFRDWITRSD-KRWDZBQOSA-N 360.498 3.695 0 40 FHAB O=C1CC[C@]2(CCCN(CC3CC(F)(F)C3)CC2)N1Cc1cncs1 585100722 USFUSGJWYRTPSX-KRWDZBQOSA-N 369.481 3.536 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(=O)[nH]2)cc1 5045353 DSSABWIXLHYFOQ-AWEZNQCLSA-N 365.458 3.865 0 40 FHAB CCN(Cc1ccc2c(c1)OCO2)Cc1cc(=O)oc2c(C)c(O)ccc12 11351808 VDDOGRFRPDQAPE-UHFFFAOYSA-N 367.401 3.558 0 40 FHAB Cc1nc(-c2ccccc2F)sc1C(=O)NCCc1ccc(O)cc1 11865860 YQJFYBNXHIPYIJ-UHFFFAOYSA-N 356.422 3.936 0 40 FHAB COc1cccc(N2C[C@H](C(=O)N[C@@H](C)c3ccc(Cl)cc3)CC2=O)c1 12873007 NSPPBOJRRUFELQ-DZGCQCFKSA-N 372.852 3.579 0 40 FHAB C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2Cl)n1C 13069434 DQBUDXALMQNIHN-LBPRGKRZSA-N 364.902 3.629 0 40 FHAB CCOc1ccccc1[C@H]1C[C@H](c2ccc(F)cc2)Nc2nc(N)nn21 13131616 XSWVLLHCMKCQLZ-HZPDHXFCSA-N 353.401 3.544 0 40 FHAB Cc1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c1 13583029 XRCDPLVSDACQEJ-UHFFFAOYSA-N 372.490 3.649 0 40 FHAB COc1ccc([C@H](C)NC(=O)[C@H](C)Cn2nc(C)nc2C)c2ccccc12 19285893 GWQZSPRFJAMJBR-KGLIPLIRSA-N 366.465 3.570 0 40 FHAB O=C(Cc1ccccc1)N1CCc2onc(Nc3cccc(F)c3)c2C1 19370283 IWBGVDCGGSUQMZ-UHFFFAOYSA-N 351.381 3.685 0 40 FHAB Clc1ccccc1Cc1ccc([C@H]2CN(c3ncccn3)CCO2)nc1 19692939 GOCMORQIHLYCPO-LJQANCHMSA-N 366.852 3.694 0 40 FHAB COc1ccc(C)cc1CN1C[C@@H](c2ccccc2)[C@@]2(CCCC(=O)N2)C1 19133605 IVTSHFPARXJCFU-NZQKXSOJSA-N 364.489 3.642 0 40 FHAB Cc1csc(CN2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)n1 21687146 NYLNGSZLFAIQNG-UHFFFAOYSA-N 357.523 3.707 0 40 FHAB Cc1c(C(=O)O[C@@H](C)C(=O)N(C)Cc2ccccc2)oc2ccccc12 2635781 VEZLITRWVQHJDJ-HNNXBMFYSA-N 351.402 3.945 0 40 FHAB O=C(COC(=O)c1cc(O)c2ccccc2c1O)Nc1cccc(Cl)c1 5203859 NBSLNXOWUXXOLZ-UHFFFAOYSA-N 371.776 3.700 0 40 FHAB O=C(COC(=O)c1n[nH]c2ccccc12)Nc1cc(Cl)cc(Cl)c1 5360798 WLOQHPRIWRQGBH-UHFFFAOYSA-N 364.188 3.665 0 40 FHAB COc1ccc([C@H](C)NC(=O)c2cc(=O)c3ccc(Cl)cc3o2)cc1 1526298692 XJLPIVDIQNPYGM-NSHDSACASA-N 357.793 3.946 0 40 FHAB COc1cccc(-n2nnc3c(SCc4ccccc4C)ncnc32)c1 4274012 BSWBRZJDFKSOCO-UHFFFAOYSA-N 363.446 3.820 0 40 FHAB COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(C)cc(C)c2)c1 8843906 ZYWJREXKYLAQID-LJQANCHMSA-N 365.433 3.579 0 40 FHAB COc1ccc2nc(-c3cccc(NC(=O)c4cccs4)c3)cn2n1 11693390 FLRHBLRKGRKUIZ-UHFFFAOYSA-N 350.403 3.719 0 40 FHAB CCCC(=O)Nc1ccc(Nc2ccc(-n3nc(C)cc3C)nn2)cc1 13009794 YKDMTTNYJHLJKC-UHFFFAOYSA-N 350.426 3.761 0 40 FHAB CCOc1ccc(-c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)nn1 5204267 DZWRDLIJPIHORF-UHFFFAOYSA-N 369.446 3.652 0 40 FHAB CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 101166911 DBEPLOCGEIEOCV-BUDNRXQVSA-N 372.553 3.815 0 40 FHAB biogenic Cc1[nH]c2ccc(C(=O)Nc3ccc(N4CCC(O)CC4)cc3)cc2c1C 40088536 IKVZJZGDECRWOI-UHFFFAOYSA-N 363.461 3.998 0 40 FHAB C[C@H](N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)NC1CCCCC1 40071801 GXMWIDMFQXOGOL-CABCVRRESA-N 357.498 3.523 0 40 FHAB CCOC(=O)N1CCC(C(=O)NCC2(c3ccccc3)CCCCC2)CC1 40082641 KCTRAZBTUQKFOY-UHFFFAOYSA-N 372.509 3.873 0 40 FHAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)NCCc1ccccc1 40032228 WXGCVDGQRKJQJK-UHFFFAOYSA-N 356.372 3.911 0 40 FHAB Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)c1 31960981 ACXFFPSTUKWEQQ-UHFFFAOYSA-N 373.474 3.729 0 40 FHAB Cc1ccc(C)c(-n2ncc3c2N=C(O)C[C@@]32C(=O)N(C)c3ccccc32)c1 20734474 JQTLMWNMDQVAAV-QFIPXVFZSA-N 372.428 3.743 0 40 FHAB C[C@@H](NC(=O)NC1CCN(C)CC1)c1ccccc1Oc1ccccc1 102040006 IATVQTPGHFHGQB-MRXNPFEDSA-N 353.466 3.933 0 40 FHAB Clc1ccc([C@@H]2CN(Cc3noc(-c4ccccc4)n3)CCO2)cc1 52248222 CSIJIKDSZZOPJX-KRWDZBQOSA-N 355.825 3.964 0 40 FHAB C[C@H]1c2cccn2CCN1CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 21579475 XCXQTJIWUKBRJN-SJORKVTESA-N 351.494 3.621 0 40 FHAB Cc1ccc(C)c(NC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)c1 32869078 WHPADXMGBCZNLE-UHFFFAOYSA-N 358.360 3.653 0 40 FHAB O=C(NCC(F)(F)F)c1cccc(NC(=O)c2cc(F)cc(F)c2)c1 8704411 WRDASDABYGLBDX-UHFFFAOYSA-N 358.266 3.509 0 40 FHAB CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3ccccc3)n21 882846 MWDFEVOKHKJFRL-UHFFFAOYSA-N 364.474 3.967 0 40 FHAB CC(C)c1nc2cc(NC(=O)c3ccccc3S(C)(=O)=O)ccc2o1 33217256 MPTURSQLAOBFKW-UHFFFAOYSA-N 358.419 3.607 0 40 FHAB O=S(=O)(CCc1ccccc1)N1CC=C(c2c[nH]c3ccccc23)CC1 79255916 JILJEODKYRTMJA-UHFFFAOYSA-N 366.486 3.830 0 40 FHAB COc1ccc([C@@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCC3)cc1 2966413 SOJSJZGUXBEXFU-FQEVSTJZSA-N 357.861 3.609 0 40 FHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)O[C@@H](C)C(=O)NC(C)(C)C 22133547 GQBAKZQHQLCQKR-NSHDSACASA-N 368.499 3.501 0 40 FHAB C[C@H](OC(=O)c1ccccc1O)C(=O)Nc1ccc(Cl)cc1Cl 3512454 LPBWASXWVULKPU-VIFPVBQESA-N 354.189 3.883 0 40 FHAB O=C(CSc1nnc(Nc2ccccc2)s1)NCCc1ccccc1 3529049 DMLIVJWMVQGUIJ-UHFFFAOYSA-N 370.503 3.733 0 40 FHAB O=C(Oc1cccc(C(=S)N2CCOCC2)c1)c1ccccc1Cl 3900951 GAFMWDGAPSTCTJ-UHFFFAOYSA-N 361.850 3.567 0 40 FHAB COC(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 4463286 BRMXVPDVQSSDHU-UHFFFAOYSA-N 369.417 3.566 0 40 FHAB Cc1cccc(NC(=S)N2[C@@H]3CCC[C@@H]2CC(NC(=O)C2CC2)C3)c1C 100427094 NIBOTOGIPWFKPP-QZTJIDSGSA-N 371.550 3.912 0 40 FHAB C[C@H](OC(=O)/C=C1\OC(=O)c2ccccc21)C(=O)c1ccc(Cl)cc1 993192 VINPVDRKYALXMY-OKHBPPCESA-N 356.761 3.666 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)C1=Cc2cc(Cl)ccc2OC1 8724860 XCJNRZUEVOZQED-UHFFFAOYSA-N 372.808 3.722 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)cc1C 8499725 NXBRQZCLJKSMLI-INIZCTEOSA-N 354.450 3.848 0 40 FHAB Cc1ccccc1N(CC(=O)Nc1c(C)cccc1C(C)C)S(C)(=O)=O 8571229 PDXAMLKMZZINJZ-UHFFFAOYSA-N 374.506 3.832 0 40 FHAB Cc1cc(NC(=O)CCSCc2cc(Cl)c3c(c2)OCO3)no1 24835184 KPXJKHCGTXUDRA-UHFFFAOYSA-N 354.815 3.627 0 40 FHAB NC(=O)CCN(C(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccccc1 24928322 CZZFEROTSCNKGF-VQHVLOKHSA-N 363.244 3.915 0 40 FHAB CS(=O)(=O)c1ccccc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1 1400999 FBHABSKGBKEYIN-UHFFFAOYSA-N 368.336 3.826 0 40 FHAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC(C)(C)C)CC1 100750063 RUDPRGHXIJXQQJ-FUHIMQAGSA-N 359.514 3.618 0 40 FHAB O=C(c1ccc(F)c(F)c1)N1[C@@H]2CC[C@@H]1CC(O)(c1ccc(F)cc1)C2 100160280 WKXJPGWWFWMEPX-HZPDHXFCSA-N 361.363 3.759 0 40 FHAB CC(=O)c1ccc(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c(F)c1 12542715 XQKVVXKUEYPCCZ-UHFFFAOYSA-N 356.445 3.577 0 40 FHAB Cc1ccc(CNC(=O)CSc2nnc(-c3ccccc3C)o2)cc1 10032123 SHUHTHGNHKYRHK-UHFFFAOYSA-N 353.447 3.762 0 40 FHAB Cc1cc(N)n(-c2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)n1 3295419 LWTOBJGUZAYEAH-UHFFFAOYSA-N 355.463 3.719 0 40 FHAB O=C(c1ccc2c(=O)n3c(nc2c1)CCCCC3)N1CCCc2ccccc21 3226121 FXEYGIJPCNUZPP-UHFFFAOYSA-N 373.456 3.716 0 40 FHAB Cc1nnc(SCCCS(=O)(=O)c2ccccc2)n1-c1ccccc1 58210084 UOSCBDOUGDTWDH-UHFFFAOYSA-N 373.503 3.532 0 40 FHAB COc1cc(OC)cc(C(=O)NC(=S)N(Cc2ccccc2)C(C)C)c1 3281402 ROKZHUHMECNMIF-UHFFFAOYSA-N 372.490 3.629 0 40 FHAB COC(=O)c1ccc(CSc2nnc(Cc3c[nH]c4ccccc34)o2)o1 21682029 ZULNYQRTIXVEFK-UHFFFAOYSA-N 369.402 3.814 0 40 FHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H](C)N1CCCC1 48128510 NFSCTKNIPNPTPN-NSHDSACASA-N 365.836 3.657 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(OC(C)C)cc1 113950855 QIASLAYKFZSCNE-FQEVSTJZSA-N 357.450 3.956 0 40 FHAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Cn1ccc(=O)c2ccccc21 48288107 WPUMAYROKHUZOQ-CQSZACIVSA-N 354.837 3.875 0 40 FHAB C[C@H](Sc1nncn1C1CC1)C(=O)c1ccc(Br)cc1 10648643 CTLLWHDMUYFUSO-VIFPVBQESA-N 352.257 3.739 0 40 FHAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccccc1C(F)(F)F 10762830 CVUGVMNGKKCEFB-UHFFFAOYSA-N 362.351 3.984 0 40 FHAB Cc1ccc(C)c(N2N=C(C(=O)NC[C@@H](C)c3ccccc3)CCC2=O)c1 36339646 YYEGVTGXGFBWMM-QGZVFWFLSA-N 363.461 3.706 0 40 FHAB CCSc1nc(N[C@@H](CC)CO)c2c3c(sc2n1)COC(C)(C)C3 2450319 ZKSQWTPZNHPGRF-JTQLQIEISA-N 367.540 3.837 0 40 FHAB O=c1c2ccccc2c(-c2cccs2)nn1C[C@@H](O)c1ccccc1F 28914828 NYUCMLSEUYHTSO-QGZVFWFLSA-N 366.417 3.998 0 40 FHAB COCCOc1cc(C)ccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1 48300287 RZRNMCLMYNLBLQ-UHFFFAOYSA-N 369.396 3.597 0 40 FHAB CC(C)C(=O)N1CCC(C(=O)Nc2ccc3c4c(cccc24)CC3)CC1 48300881 BYZIJJRFBXLFOL-UHFFFAOYSA-N 350.462 3.772 0 40 FHAB CCCOc1ccc([C@H](C)NC(=O)c2cc(OC)cc(OC)c2)cc1OC 48340271 RJPMPTLMSKHXDY-AWEZNQCLSA-N 373.449 3.992 0 40 FHAB CCOc1ccc(C(=O)[C@@H](C)Sc2nc3nc(C)cc(C)n3n2)cc1 3467528 FUDJRLBGUAFDAO-CYBMUJFWSA-N 356.451 3.503 0 40 FHAB CCOc1ccc(OC(C)(C)C(=O)NCc2ccc(NC(C)=O)cc2)cc1 12917497 HVZRXVYQOLDGMO-UHFFFAOYSA-N 370.449 3.518 0 40 FHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(-c2nccs2)cc1 12932208 IZRDYSQLNTXPFS-UHFFFAOYSA-N 372.471 3.856 0 40 FHAB COc1ccccc1[C@H](CNC(=O)Nc1ccc(C)cc1)N1CCCC1 12981219 NCXBZFPQFYEZIX-IBGZPJMESA-N 353.466 3.962 0 40 FHAB Cc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)cc(=O)[nH]1 3889445 YEVMIEUAUGDCEN-UHFFFAOYSA-N 365.458 3.785 0 40 FHAB Cc1ccc(C)c(OCCOC(=O)c2ccc3c(c2)NC(=O)CS3)c1 9074266 RDSUWKCJDWUTFU-UHFFFAOYSA-N 357.431 3.583 0 40 FHAB O=C(Nc1ccc(F)cc1F)c1cnn(-c2ccccn2)c1C(F)(F)F 24574590 JDTBUUXMVZJPDF-UHFFFAOYSA-N 368.265 3.817 0 40 FHAB COc1cccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3)no2)c1 4490196 LULZIYJBOAIDOJ-QGZVFWFLSA-N 367.380 3.862 0 40 FHAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccc(Br)cc1 14171328 ODGBKIBXQFDAAE-UHFFFAOYSA-N 373.294 3.975 0 40 FHAB CC[C@H](C)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccc(Cl)cc1 5431425 AFASFBTYVYASHR-XPTSAGLGSA-N 351.859 3.988 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)/C=C/c1cccc(Cl)c1 6588113 FQQNSMIUADVGKU-HBWSCVEGSA-N 355.821 3.874 0 40 FHAB CSc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)cc1 5614362 LUTRVQGGDWHXAZ-KRWDZBQOSA-N 369.515 3.840 0 40 FHAB C[C@H](OC(=O)[C@@H]1COc2ccccc2O1)C(=O)c1ccc(C(C)(C)C)cc1 7159317 JSAILPGWCXNFMD-LIRRHRJNSA-N 368.429 3.939 0 40 FHAB CCN(CC)C(=O)[C@H](Sc1nnc(-c2ccco2)n1C)c1ccccc1 7179839 SSBLANVIIPKBLI-MRXNPFEDSA-N 370.478 3.777 0 40 FHAB Cc1ccc(F)cc1NS(=O)(=O)c1ccc(Br)s1 7405641 BYRCFHZZKPHQDA-UHFFFAOYSA-N 350.234 3.759 0 40 FHAB Cc1cc(C(=O)OCC(=O)Nc2cc(C(C)(C)C)no2)c(C)n1C1CC1 9387631 HRKJYVUDMUZQRQ-UHFFFAOYSA-N 359.426 3.521 0 40 FHAB Cc1cc(NC(=O)[C@H](C)Oc2ccc(C(=O)c3ccccc3)cc2)no1 9315278 NPJHRFLGSGAQSU-AWEZNQCLSA-N 350.374 3.620 0 40 FHAB COc1ccc(C)cc1Nc1cc(N)nc(-c2ccc(OC)c(OC)c2)n1 49468220 SQKJIOVWUGPLMS-UHFFFAOYSA-N 366.421 3.804 0 40 FHAB Cc1ccccc1-c1noc(-c2nnn(-c3cc(F)ccc3F)c2C)n1 7615894 BXRCVIUKZJUYOX-UHFFFAOYSA-N 353.332 3.879 0 40 FHAB COC(=O)c1ccc(CSc2nnc(NC3CCCCC3)s2)o1 7781878 CYBZKJCVPOLVSC-UHFFFAOYSA-N 353.469 3.955 0 40 FHAB O=C(Cc1ccccc1F)Nc1cccc(-c2nnc3n2CCCCC3)c1 7842335 XRINDGXANRFPMA-UHFFFAOYSA-N 364.424 3.992 0 40 FHAB CCc1nnc(NC(=O)c2sc3cccc(F)c3c2COC)s1 8061275 UXGQXPAOEXFQKE-UHFFFAOYSA-N 351.428 3.853 0 40 FHAB COc1ccccc1-c1cc(NC(=O)Cn2c(C)cc3ccccc32)[nH]n1 69321945 ALJUHDAVUIFMBH-UHFFFAOYSA-N 360.417 3.987 0 40 FHAB Cc1c(-c2cc(-c3cnn(C)c3C)n(-c3ccccc3Cl)n2)cnn1C 17075361 OBOVLSRQDHCXNA-UHFFFAOYSA-N 366.856 3.944 0 40 FHAB Cc1ccc2c(CC(=O)NCCc3ccc4c(c3)OCCO4)coc2c1C 18073264 LZXVATKVXMOQGF-UHFFFAOYSA-N 365.429 3.722 0 40 FHAB CSc1ccccc1C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 9709132 QNWPJOCYURAAKW-UHFFFAOYSA-N 351.435 3.649 0 40 FHAB COc1cc(C(=O)NCc2ccc(OC(C)C)cc2)nc2ccccc12 72329600 HLSXRPWBQYESKX-UHFFFAOYSA-N 350.418 3.961 0 40 FHAB CC1(C)c2ccccc2CCN1C(=O)CSc1ccc2c(c1)OCCO2 95459662 ICPYVCXLGGZJEK-UHFFFAOYSA-N 369.486 3.870 0 40 FHAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N1CCN(c2ccccc2)CC1 113970535 KQHAOCXJJMCGSH-NRFANRHFSA-N 352.478 3.810 0 40 FHAB FC(F)(F)c1ccc(CN2CCN(c3nncc4ccccc34)CC2)cc1 89873293 JYNLFIGBLJBSQN-UHFFFAOYSA-N 372.394 3.971 0 40 FHAB CCOC(=O)c1cc(-c2ccncc2)nc2c1c(C)nn2-c1ccccc1 89984845 URAJUUIXHWOWBE-UHFFFAOYSA-N 358.401 3.968 0 40 FHAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc[nH]3)C2=O)c(C)c1 409373377 IJGDGWLFGBTSHW-OQLLNIDSSA-N 369.446 3.615 0 40 FHAB COc1ccc(CNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1OC 21307519 PMLCFIBETYOBQG-HNNXBMFYSA-N 357.450 3.911 0 40 FHAB CC1(C)Cc2cccc(OCCNC(=O)CCc3ccccc3F)c2O1 24449802 OYCXCGXRYVHTKR-UHFFFAOYSA-N 357.425 3.667 0 40 FHAB O=C(c1cnccn1)N1CCC[C@H]1c1cccc(Cc2ccc(F)cc2)n1 72357834 FQYPEZRLPCKKJN-FQEVSTJZSA-N 362.408 3.579 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 22197028 DPWBKXUOTPSOHD-QYZOEREBSA-N 367.399 3.708 0 40 FHAB CCCNC(=O)c1cc2c(N3CCCCC3)nc(SC)nc2s1 408623272 RZVYQQRNQDVXSW-UHFFFAOYSA-N 350.513 3.543 0 40 FHAB C[C@H]1Nc2ncnn2[C@@H](c2cccc(Cl)c2)[C@H]1C(=O)Nc1ccccc1 36701530 YVELEDCTDYXBMH-DQYPLSBCSA-N 367.840 3.590 0 40 FHAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C(F)(F)F)c1 123204021 NHEYOTBDDLCIND-UHFFFAOYSA-N 373.352 3.601 0 40 FHAB O=C(CSc1nc2ccccc2n1Cc1ccc(F)cc1)N1CCCC1 35289678 FXVBLMSFTSLEJZ-UHFFFAOYSA-N 369.465 3.938 0 40 FHAB COC(=O)c1ccc(CN2CCC[C@H]2c2ccc(OC)c(OC)c2)cc1 36394263 BWDCGBNBKOTYGX-SFHVURJKSA-N 355.434 3.828 0 40 FHAB O=C1C[C@H](Nc2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1F 36635716 NLUUTNMHEZEZFB-ZDUSSCGKSA-N 353.180 3.877 0 40 FHAB O=C(NCc1cccc2ccccc12)NCC1CCN(c2ccncc2)CC1 70928941 CWERVYWVWGETAI-UHFFFAOYSA-N 374.488 3.951 0 40 FHAB Cc1nc(C(=O)N2CCC(c3cccc(Cc4ccccc4)n3)CC2)co1 72350456 XSBOGRSPSWNUJU-UHFFFAOYSA-N 361.445 3.989 0 40 FHAB COc1ccc(S(=O)(=O)N2CCCc3ccccc32)c2ccccc12 32400558 HASVRTHQRPJPCD-UHFFFAOYSA-N 353.443 3.990 0 40 FHAB CCOc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cn1 44874295 ZPGXZPONQJRWGV-UHFFFAOYSA-N 369.402 3.585 0 40 FHAB C[C@H](c1ccccc1F)N(Cn1ncc(Cl)c(Cl)c1=O)C1CC1 49979345 IENMDPKBSURAQR-SNVBAGLBSA-N 356.228 3.872 0 40 FHAB CC[C@@H](NC(=S)Nc1ncccc1OC)c1ccc(OC)c(OC)c1 225721757 OOAUGLDIHOHNHX-CYBMUJFWSA-N 361.467 3.545 0 40 FHAB C[C@H]1CCCCN1CCCCNC(=O)c1ccc(F)cc1Br 46989443 CDLAJRHOYVSJIQ-ZDUSSCGKSA-N 371.294 3.973 0 40 FHAB Cc1nn(C)c(C)c1CCC(=O)NCC1(c2ccc(F)cc2)CCCC1 48332953 SWXIEABLVWQKEH-UHFFFAOYSA-N 357.473 3.737 0 40 FHAB O=C(c1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1)N1CCCCC1 225324772 WUAKLUBTVUUSBL-YXJHDRRASA-N 357.523 3.788 0 40 FHAB COc1cccc(-c2noc(CNC(=S)Nc3ccc(C)c(C)c3)n2)c1 225821765 QLCMMJFWORELNO-UHFFFAOYSA-N 368.462 3.849 0 40 FHAB COc1cc(OC)cc(C(=O)NCc2cccc(CN3CCCCC3)c2)c1 224647203 TTYAYGYVHOGAQE-UHFFFAOYSA-N 368.477 3.620 0 40 FHAB CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CC 223544361 FLQLMPLNVGROGQ-OAQYLSRUSA-N 368.477 3.701 0 40 FHAB CC(C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 44904392 BUGVJCTYLXYWPU-ZDUSSCGKSA-N 360.841 3.884 0 40 FHAB CC(C)(C)c1cc(C(=O)N2C[C@H]3[C@@H](Oc4cccc(F)c4)CC[C@H]3C2)[nH]n1 257239615 HQDAUXGAUYAJJX-XCRHUMRWSA-N 371.456 3.776 0 40 FHAB Cc1cccc(C(=O)N2CCC[C@@H](c3cncc(Oc4ccccc4)n3)C2)n1 257284952 PEZYQVYATQCGJY-QGZVFWFLSA-N 374.444 3.992 0 40 FHAB CCOc1ccc(-c2ccc(=NCCCn3ccnc3)[nH]c2)cc1OCC 629696946 OSJAULCZWOMKPO-UHFFFAOYSA-N 366.465 3.667 0 40 FHAB O=C(O)c1cccnc1CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 652432211 QCCFINBICXXROE-SNVBAGLBSA-N 371.384 3.635 0 40 FHAB CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)Nc1ccccc1C(C)(F)F 653564446 GQVFCLKFAKCCJR-XOKHGSTOSA-N 368.424 3.846 0 40 FHAB Cc1ccc(-c2noc(C3=NN(Cc4ccccc4)C(=O)CC3)n2)cc1F 109506586 XMCLYUBTFQKXIY-UHFFFAOYSA-N 364.380 3.711 0 40 FHAB CC[C@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC[C@H](C)C2)C1 1613689028 YMJREVKPKUDQIW-XGHQBKJUSA-N 373.545 3.577 0 40 FHAB C[C@@H](c1ccccc1)N1CCc2oc(C(=O)N3CCC[C@@H](C)C3)nc2C1 585112910 WQGBQQBKQGBLIA-CVEARBPZSA-N 353.466 3.666 0 40 FHAB COc1ncccc1CNC(=O)c1cc(-c2cccnc2)nc2ccccc12 31319797 QPGFULHJHIJGSA-UHFFFAOYSA-N 370.412 3.630 0 40 FHAB Cc1nc2ccc(NC(=O)C(=O)N(C)Cc3cccc4ccccc34)cc2o1 84290289 XUMGGOKYYVFSRD-UHFFFAOYSA-N 373.412 3.887 0 40 FHAB CCOc1ccc(C(=O)Nc2cc3c4c(c2)[C@H](C)C(=O)N4CCC3)cc1 5153684 HBOVERGVEHEWRG-ZDUSSCGKSA-N 350.418 3.734 0 40 FHAB Cc1sc2nc(C)n(C3CCN(Cc4ccccn4)CC3)c(=O)c2c1C 12145415 MKFTXNYWXMQOFC-UHFFFAOYSA-N 368.506 3.615 0 40 FHAB CC(C)C[C@@H](N[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 12751464 DPFWUYMXHYMRFZ-KBXCAEBGSA-N 366.465 3.560 0 40 FHAB COc1cc(C(=O)NCCCc2ccc(Cl)cc2)cc(OC)c1OC 13669409 UOBBVTWHIOKOTM-UHFFFAOYSA-N 363.841 3.728 0 40 FHAB C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2ccccc2)CC1 13689152 GAXGMIUBURQVLL-SFHVURJKSA-N 360.457 3.956 0 40 FHAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(-c2nnn[nH]2)cc1 14183447 MGZHYRHAOAARPS-UHFFFAOYSA-N 357.373 3.911 0 40 FHAB CN(CCCNC(=O)Nc1ccccc1F)C(=O)Nc1ccccc1F 19074952 HKVPDEUUKGWODS-UHFFFAOYSA-N 362.380 3.640 0 40 FHAB COc1ccccc1N1CCN(C(=O)C2(c3cccs3)CCCC2)CC1 12069663 MWUBCNYAGPFXDQ-UHFFFAOYSA-N 370.518 3.917 0 40 FHAB CC(C)(C)OC(=O)N1CCO[C@H](Cc2ccc(Br)cc2)C1 1857793212 KVZXMTDBKFHVKR-CQSZACIVSA-N 356.260 3.628 0 40 FHAB O=C(NCc1ccc(Cl)cc1)NCc1ccccc1CN1CCCC1 9585802 DZAKYTZNPVMZPN-UHFFFAOYSA-N 357.885 3.935 0 40 FHAB Cc1c([C@@H]2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)c2ccccc2n1C 1429546 SOKJAAQVAQRMMG-INIZCTEOSA-N 372.424 3.780 0 40 FHAB COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccccc1C 4033127 RSNKONDQBPYRQX-UHFFFAOYSA-N 358.401 3.966 0 40 FHAB O=C(c1ccco1)N1CCN=C1SCc1ccc(Br)cc1 4119999 MIUJQEPMIYUSTG-UHFFFAOYSA-N 365.252 3.787 0 40 FHAB O=C(O)C[C@H](NC(=O)Cc1cccs1)c1ccc(OC2CCCC2)cc1 4689296 XHLIAWBODHXGHH-SFHVURJKSA-N 373.474 3.944 0 40 FHAB Cc1ccccc1C(=O)N(c1cccc(Cl)c1)[C@@H]1C=CS(=O)(=O)C1 5070641 HOVBXKHJEJVMQP-MRXNPFEDSA-N 361.850 3.606 0 40 FHAB CCOc1ccccc1NC(=O)c1cccn(Cc2ccc(F)cc2)c1=O 5268954 FXHDDTQLIMXYBM-UHFFFAOYSA-N 366.392 3.687 0 40 FHAB O=C(NCCc1ccccc1)N1CCn2cccc2[C@@H]1c1ccc(F)cc1 5256042 OYZPHNOJVOFFPC-NRFANRHFSA-N 363.436 3.985 0 40 FHAB O=C(NC[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccc(Cl)cc1 9039794 AWPGOCNWORDPLW-LBPRGKRZSA-N 361.804 3.654 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)Cc1cc(-c2cccs2)on1 12422283 ZTZAWZMOQVOXOW-UHFFFAOYSA-N 371.418 3.551 0 40 FHAB O=C(Nc1cc(F)ccc1F)c1ccc(=O)n(Cc2ccc(F)cc2)c1 15882948 HQTMKECKQUWAJK-UHFFFAOYSA-N 358.319 3.566 0 40 FHAB O=C(c1ccccc1Cl)N1CCC(COc2ccc(C3CC3)nn2)CC1 1775968335 ZGYITAJMJZKFOV-UHFFFAOYSA-N 371.868 3.939 0 40 FHAB O=C(c1cccc2ccccc12)N1CCN(Cc2nc3ccccc3[nH]2)CC1 35598273 GGZAMUTZYQGPTM-UHFFFAOYSA-N 370.456 3.674 0 40 FHAB O=S(=O)(NC[C@H](c1ccco1)c1cccs1)c1c(F)cccc1F 585146824 VNGGPGRNLCIERJ-LLVKDONJSA-N 369.414 3.730 0 40 FHAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)c1cncc(Br)c1 575415721 XGMSMRBOVSIUPU-NSHDSACASA-N 359.223 3.951 0 40 FHAB CC1=C(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)C=C2C=CC=C[C@H]2O1 4000100 JXSGLNRZTNLMMK-AHUNDJPPSA-N 372.468 3.892 0 40 FHAB biogenic CC[C@@H](C(=O)N1CCC(NC(=O)c2ccc(C)s2)CC1)c1ccccc1 50476007 VQENXTQJTJPXKL-GOSISDBHSA-N 370.518 3.971 0 40 FHAB O=C(Nc1ccc(OC2CCCC2)cc1)[C@H]1CC(=O)N(Cc2ccco2)C1 31284877 BJMOZWHMHLTEMQ-HNNXBMFYSA-N 368.433 3.588 0 40 FHAB O=C(N[C@@H]1CCOc2ccccc21)c1csc(Cc2ccccc2)n1 31578680 SSSPLUUCUMWHHD-MRXNPFEDSA-N 350.443 3.988 0 40 FHAB CCOC(=O)N1CCC[C@H](C(=O)Nc2nc(-c3cccs3)cs2)C1 32764392 RBQGCSJBSKPNBG-NSHDSACASA-N 365.480 3.679 0 40 FHAB C[C@@H](NC(=O)CSc1nc(-c2ccco2)n[nH]1)c1cc2ccccc2o1 32873585 XIEDMUHWXALIBS-LLVKDONJSA-N 368.418 3.780 0 40 FHAB COc1ccc(CS[C@@H](C)C(=O)NCc2ccc(F)cc2)cc1F 32814592 IIHTWBXTLNPSNQ-LBPRGKRZSA-N 351.418 3.912 0 40 FHAB CC(C)c1ccc(CS(=O)(=O)[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 32929682 IGMHLPMTXYZCKY-FCEWJHQRSA-N 365.539 3.808 0 40 FHAB CCOC(=O)c1c(C)oc2ccc(OCc3ccc(C(=O)OC)o3)cc12 639081 LJPJIZSQSZUDAD-UHFFFAOYSA-N 358.346 3.877 0 40 FHAB biogenic CC(C)(C)c1ccc(/C=c2/sc3nnc(-c4ccccc4)n3c2=O)cc1 716608 OAFPJLKVIONHTJ-GHRIWEEISA-N 361.470 3.663 0 40 FHAB CCOc1cc(-c2nc3ccccn3c2NC[C@@H]2CCCO2)ccc1O 883909 ZSHGMEGYMWGPKO-HNNXBMFYSA-N 353.422 3.697 0 40 FHAB O=C(NCc1ccccc1)Nc1cccn(Cc2ccccc2Cl)c1=O 1354080 RCNGVTVHKLPPJQ-UHFFFAOYSA-N 367.836 3.872 0 40 FHAB CCC(=O)N(Cc1cc2cc(C)cc(C)c2n2nnnc12)C1CCCC1 1367218 HLMUKKVULCKGDA-UHFFFAOYSA-N 351.454 3.576 0 40 FHAB CCC(CC)C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(F)cc1)CC2=O 2410271 DTNHSVBPPGZQTA-CQSZACIVSA-N 355.413 3.903 0 40 FHAB CN(C(=O)COC(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 3342149 IZYSLYOUYZWGLX-UHFFFAOYSA-N 352.217 3.742 0 40 FHAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 3602518 XMDNAVXIKYLWFE-UHFFFAOYSA-N 369.402 3.505 0 40 FHAB CCCCCC1=NN(C(=O)Cc2ccc(OC)cc2)[C@@](O)(C(F)(F)F)C1 4903175 VSDZOKXXEAQKRW-KRWDZBQOSA-N 372.387 3.657 0 40 FHAB CCOC(=O)c1sc(NC(=O)Cc2c(F)cccc2Cl)nc1C 5007792 SCAMARVYOXSGJF-UHFFFAOYSA-N 356.806 3.602 0 40 FHAB C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(-n2cncn2)cc1 5245763 CJAHVEQKQPRNJX-INIZCTEOSA-N 356.429 3.840 0 40 FHAB C[C@@H]1CCCN(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)C1 6532151 JDKUPEQTEYRKLX-OAHLLOKOSA-N 370.522 3.554 0 40 FHAB CC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 6553224 JNVUDRUVXOABJY-INIZCTEOSA-N 374.506 3.941 0 40 FHAB C[C@@H]1CCN(C(=O)COc2ccc3c(c2)OCO3)c2ccccc2S1 6654533 SGWJNDXBKLJDHG-CYBMUJFWSA-N 357.431 3.712 0 40 FHAB CCCCCCn1c(S[C@@H](C)C(=O)N2CCNC2=O)nc2ccccc21 7098538 DXLBOPCBTKQDMS-AWEZNQCLSA-N 374.510 3.649 0 40 FHAB Cc1cc(C(=O)O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c(C)n1C1CC1 7140389 FTCRWNCVNGXCIP-ZDUSSCGKSA-N 351.406 3.594 0 40 FHAB CC(C)CSc1nnc(SCC(=O)NCc2ccccc2)s1 7232060 SIDIBBGYZTZFOX-UHFFFAOYSA-N 353.538 3.695 0 40 FHAB O=C1/C(=C/c2ccc(O)cc2)NC(=S)N1c1ccccc1C(F)(F)F 7335146 AFGDEUUQALUPOY-LCYFTJDESA-N 364.348 3.673 0 40 FHAB O=C(CSCc1ccc(Cl)s1)NCc1ccc2c(c1)OCO2 7475254 MBMFXEHRCJLEHF-UHFFFAOYSA-N 355.868 3.680 0 40 FHAB O=C(COc1ccccc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 8428127 ALCDOQSIKFDLNV-MRXNPFEDSA-N 368.458 3.887 0 40 FHAB O=Cc1cc(Br)c(OCc2ccccn2)c(Br)c1 8702278 SFLGLVHPFYEVCL-UHFFFAOYSA-N 371.028 3.998 0 40 FHAB CSc1nc(C)c(CCC(=O)Nc2cc(Cl)ccc2Cl)c(=O)[nH]1 8744824 LHQCWUOFJXAABQ-UHFFFAOYSA-N 372.277 3.678 0 40 FHAB COc1cc(OC)c(NC(=O)CNc2cc(F)ccc2F)cc1Cl 10745075 GPZYJLVVYBBZGU-UHFFFAOYSA-N 356.756 3.686 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[C@@H]1OC(=O)c2ccccc21 11059939 UCPOECHEULKPOI-SFHVURJKSA-N 361.401 3.729 0 40 FHAB O=C(Nc1ccccc1C(=O)NCCCOc1ccccc1)c1ccco1 11086017 AFKCWQCIMGBXJH-UHFFFAOYSA-N 364.401 3.731 0 40 FHAB CCNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)C(C)C)s1 12442954 ADDHMJFGKFMGAN-UHFFFAOYSA-N 363.508 3.633 0 40 FHAB COCCCNC(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1 12783711 LXQVXAKXOYJSHY-OAQYLSRUSA-N 368.502 3.949 0 40 FHAB Cc1ccc(NC(=O)Cn2c(S)nnc2-c2ccc(Cl)cc2)c(O)c1 12784526 LRXONZAHJOOUSB-UHFFFAOYSA-N 374.853 3.540 0 40 FHAB COc1cccc([C@H]2CCCN2S(=O)(=O)c2ccccc2Cl)c1 12800832 FOVRRFYUDZXDEF-MRXNPFEDSA-N 351.855 3.874 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)Nc1nc2ccccc2nc1N1CCCC1 12879840 LTGQARIOVMVYCC-HNNXBMFYSA-N 362.433 3.636 0 40 FHAB O=C(Cc1ccc(Cl)cc1)N1CCN(Cc2ccc(Cl)cc2)CC1 13040778 IIUHVTWCQLSUNP-UHFFFAOYSA-N 363.288 3.880 0 40 FHAB O=C(O)[C@@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCC(Cc2ccccc2)CC1 13320369 LVTNBUDAGKFJFO-GHBBCFCZSA-N 355.478 3.605 0 40 FHAB COc1ccc(C(=O)N(C)Cc2cc3ccc(C)cc3nc2O)cc1OC 13470657 KZGUIOVKRRMIKV-UHFFFAOYSA-N 366.417 3.538 0 40 FHAB O=C1c2ccccc2N2C(=O)c3ccccc3[C@H]2N1c1ccc2c(c1)OCO2 13987054 MRWFRHRFAUXITR-FQEVSTJZSA-N 370.364 3.735 0 40 FHAB CCOCc1cc(C(=O)Nc2ccccc2N2CCCC2=O)ccc1OC 14095345 FEOYKYPVWBIUHW-UHFFFAOYSA-N 368.433 3.611 0 40 FHAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 15515244 AUJPIGJXJNSBDN-UHFFFAOYSA-N 350.403 3.540 0 40 FHAB O=C(NCc1ccccc1)Nc1ccccc1C(=O)NCc1ccccc1 16480008 CUAPTGODMXQRKV-UHFFFAOYSA-N 359.429 3.938 0 40 FHAB O=c1[nH]nc(SCc2cccc(F)c2)n2nc(-c3ccc(F)cc3)cc12 16843974 CRILSWXIBVGPIO-UHFFFAOYSA-N 370.384 3.655 0 40 FHAB CCCC(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)CC1 19501156 WALHDYJXBJTOPP-BXUZGUMPSA-N 358.408 3.697 0 40 FHAB C[C@@H](CCc1ccccc1Cl)NC(=O)c1ccc(-n2cnnc2)cc1 19659360 TXNYZLDIKMIEKZ-AWEZNQCLSA-N 354.841 3.672 0 40 FHAB CCCCC1CCC(C(=O)NC[C@@H](c2ccco2)N2CCOCC2)CC1 19897788 ZSCALGXDTJTEFH-ACBHZAAOSA-N 362.514 3.766 0 40 FHAB CC(C)Cc1noc(CN(C)CC(=O)Nc2c(Cl)cccc2Cl)n1 23039036 RANHXOAFWNMAHO-UHFFFAOYSA-N 371.268 3.645 0 40 FHAB C[C@@H]1CCc2c(sc3nc(SCC(=O)c4ccc[nH]4)nc(N)c23)C1 23590888 VAFCAYLMBJQMEK-SECBINFHSA-N 358.492 3.701 0 40 FHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1nc2ccccc2s1 23846525 KEXDOEMXRQTDOV-UHFFFAOYSA-N 350.447 3.555 0 40 FHAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cccc(-c2nnco2)c1 27110635 ICSOTGPOQZXDEE-UHFFFAOYSA-N 360.373 3.881 0 40 FHAB Cc1ccc(Nc2nc(N)nc(CSCc3c(C)noc3C)n2)cc1 28262989 JNICZRKGEWZESL-UHFFFAOYSA-N 356.455 3.544 0 40 FHAB CCOc1cccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)c1 28288164 PGAXLKDMKJLVEC-OAQYLSRUSA-N 368.477 3.661 0 40 FHAB biogenic O=C(c1ccc(F)cc1)N1CCCN(Cc2nc3ccccc3s2)CC1 32776813 RDVUWBZKVAEVED-UHFFFAOYSA-N 369.465 3.784 0 40 FHAB Cc1ccc(-n2nc(C)cc2NC(=O)CCc2ccc3c(c2)OCO3)cc1 32859978 KNFJIRKEFMHYDQ-UHFFFAOYSA-N 363.417 3.789 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)NC1CCN(Cc2ccccc2)CC1 32862662 LGHHPGNDIGWJHQ-LJQANCHMSA-N 365.521 3.972 0 40 FHAB COc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1 35289411 ORYRJPNUTXSBBX-INIZCTEOSA-N 373.840 3.984 0 40 FHAB COc1ccc(-c2nnsc2C(=O)N[C@H](C)CCc2ccccc2)cc1 36353791 FXLIZIQHQUGRDR-CQSZACIVSA-N 367.474 3.965 0 40 FHAB O=c1c(Cl)c(NCCc2ccccc2F)cnn1Cc1ccccc1 40162226 FMRWQEONZRYJSX-UHFFFAOYSA-N 357.816 3.739 0 40 FHAB COc1ccc(/C=C/c2nc3ccccc3n2CC(=O)N2CCCC2)cc1 40238505 JUXRHSYLTUDXHY-JLHYYAGUSA-N 361.445 3.838 0 40 FHAB CCCCC(=O)Nc1ccccc1OCc1cc(=O)n2cc(C)sc2n1 41085743 MAWWQFVYHKWQLN-UHFFFAOYSA-N 371.462 3.772 0 40 FHAB O=C(/C=C/c1ccc(Cl)cc1)NCc1ccccc1N1CCOCC1 41527902 UTFSSJYSIDPSFW-JXMROGBWSA-N 356.853 3.506 0 40 FHAB CCc1cccc(NC(=O)CN2C(=O)COc3cc(C(C)(C)C)ccc32)c1 44841506 HIGHSRHJMCDCCP-UHFFFAOYSA-N 366.461 3.911 0 40 FHAB Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1S(C)(=O)=O 48345709 LVHJTHYYUHRKAO-HNNXBMFYSA-N 371.502 3.768 0 40 FHAB CCc1ccc(NC(=O)CSc2cc(-c3nc(C)no3)ccn2)cc1 49405339 GZSHAJZFXGNFIC-UHFFFAOYSA-N 354.435 3.733 0 40 FHAB CCOc1cc2c(cc1[C@H]1SCC(O)=Nc3c1cnn3C)O[C@H](C)C2 49547700 WFJOOSKTMKDHBI-BMLIUANNSA-N 359.451 3.566 0 40 FHAB O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccccc1OC(F)F 57065126 FJZGARDWMGNGJG-ZDUSSCGKSA-N 364.367 3.683 0 40 FHAB C[C@H](Nc1ncnc2ccccc12)c1ccc(N2CCN(C)CC2)c(F)c1 57140168 DKZLKFFHAIBPRK-HNNXBMFYSA-N 365.456 3.694 0 40 FHAB CCCS(=O)(=O)[C@H](C)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 57255296 FNYHTEUVZLAKDC-CYBMUJFWSA-N 372.446 3.647 0 40 FHAB Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H](C(F)(F)F)C2)no1 57380665 VCVQOUHTBKKBJT-HOCLYGCPSA-N 367.371 3.937 0 40 FHAB COCCOc1ccccc1NCC(=O)Nc1ccccc1C(F)(F)F 58160313 JDIBQFIVRVNWBS-UHFFFAOYSA-N 368.355 3.781 0 40 FHAB C[C@@H]1CCCN(CCCNC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C1 58229015 IFIWSWYHHHQMII-CYBMUJFWSA-N 374.451 3.509 0 40 FHAB CC[C@@H](Sc1nnc(C)n1CC(=O)N(C)C)c1ccc(Cl)cc1 58431806 CBTGQEQNQABCBF-CQSZACIVSA-N 352.891 3.572 0 40 FHAB Cc1nc2cc(C(=O)NO[C@@H]3CCCCO3)ccc2n1-c1ccccc1 60333055 YAXWRZASRFERCN-LJQANCHMSA-N 351.406 3.522 0 40 FHAB O=C1C[C@H](c2cccs2)c2c(c(C(=O)O)cn2-c2ccccc2F)N1 61718817 FPUFOWSMQNNOGJ-SNVBAGLBSA-N 356.378 3.850 0 40 FHAB CC(C)CCC[C@@H](C)NC(=O)c1cccc(Oc2ccc3nncn3n2)c1 61722119 WXQHQJTUGXFHEJ-OAHLLOKOSA-N 367.453 3.861 0 40 FHAB CN1CCC(NC(=S)N[C@H](c2ccc(F)cc2)c2cccs2)CC1 83877638 DRVQWVXPLLRKNP-QGZVFWFLSA-N 363.527 3.535 0 40 FHAB COc1cc(CNc2ccn(Cc3ccccn3)n2)cc(Cl)c1OC 83921348 YXXMFFKBBBFLAX-UHFFFAOYSA-N 358.829 3.609 0 40 FHAB COc1ccccc1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]c1=O 95755298 SPFQCCSURUMZAZ-UHFFFAOYSA-N 371.396 3.851 0 40 FHAB CCn1cnnc1CCNc1ncnc2scc(-c3ccccc3)c12 95960348 RACPWZVQYJDVHT-UHFFFAOYSA-N 350.451 3.624 0 40 FHAB Cc1cc2nc(CO[C@H]3CN(Cc4ccccc4)C[C@H]3F)[nH]c2cc1C 96112331 XZCOQSSUDLICAP-XLIONFOSSA-N 353.441 3.919 0 40 FHAB biogenic,in-vitro Fc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccccc3)n2)c(F)c1 96296178 RGKFZYFRBCJKKX-IBGZPJMESA-N 355.388 3.928 0 40 FHAB biogenic,in-vitro OCCCc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C=C(c1ccccc1)N2 100706892 MSCLRERCEXWQHS-GOSISDBHSA-N 366.852 3.912 0 40 FHAB O=C1/C(=C\c2ccccc2OC(F)F)NC(=S)N1C1CCCCC1 101448183 IVUGAVKBPGFZCQ-JLHYYAGUSA-N 352.406 3.678 0 40 FHAB CN(CCCNc1cc(=O)oc2ccccc12)C(=O)c1ccccc1F 101664769 DNGXNVQAYKUYAS-UHFFFAOYSA-N 354.381 3.506 0 40 FHAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)[C@@H]1COc2ccccc2O1 134265330 GASXSILRXAVEOL-AWEZNQCLSA-N 373.821 3.637 0 40 FHAB C[C@@H](NC(=O)CCSCc1ccccc1)c1ccc2c(c1)OCCO2 222700476 MYVONITTZQWWHH-OAHLLOKOSA-N 357.475 3.959 0 40 FHAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222718606 YGEUKADJCBNEJS-GOEBONIOSA-N 371.433 3.501 0 40 FHAB CC(C)Oc1cccc(CCCNC(=O)c2ccc3c(c2)OCCO3)c1 225401828 ZYBPYFKYYMVSGK-UHFFFAOYSA-N 355.434 3.608 0 40 FHAB O=C(NC[C@@H](O)c1csc2ccccc12)c1ccc2ncsc2c1 225692908 MQVNCAPCQITJAT-OAHLLOKOSA-N 354.456 3.974 0 40 FHAB CN1CCC(Oc2ccc(CNC(=S)Nc3cccc(F)c3)cc2)CC1 225772607 ZHYWTESKAWWKGX-UHFFFAOYSA-N 373.497 3.785 0 40 FHAB COc1cc2c(cc1S(=O)(=O)N1CCCc3ccccc31)CCCC2 225817530 YWOXEXKVYDXKAW-UHFFFAOYSA-N 357.475 3.716 0 40 FHAB COc1cc(Oc2ccccc2)nc(NC(=S)NCc2ccccc2)n1 225926840 HXSTXMDTWZGALW-UHFFFAOYSA-N 366.446 3.764 0 40 FHAB Cc1ccc(OCC(=O)Nc2cc(Cl)c3nc(NN)sc3c2)cc1 226312963 CJCPLHCYSQNCND-UHFFFAOYSA-N 362.842 3.561 0 40 FHAB NC(=O)/C=C/c1ccc(OCc2ccccc2F)c(Br)c1 226333273 RUTFLGNMBAREPK-SOFGYWHQSA-N 350.187 3.666 0 40 FHAB Cc1cc(C)c(NC(=O)c2cccc(I)c2)c(N)c1 226347058 BOLLMOAGAKSVAB-UHFFFAOYSA-N 366.202 3.743 0 40 FHAB COc1ccccc1-c1cccc(CC2(C(=O)NC3CC3)CCOCC2)c1 257198275 XUDINQNKTLIZLC-UHFFFAOYSA-N 365.473 3.980 0 40 FHAB C[C@]1(c2ncc(Cc3ccccc3F)o2)CCCN(c2ncccn2)C1 257243365 IGPOXUNCYKAAEY-FQEVSTJZSA-N 352.413 3.753 0 40 FHAB Cc1ccc2[nH]c(C)c(CC(=O)N3CCCCC[C@@H]4NCC[C@@]43C)c2c1 257275169 NOENWLULQHJNOH-UNMCSNQZSA-N 353.510 3.850 0 40 FHAB Cc1cccc(CN2CCC(c3cncc(Nc4cnccn4)n3)CC2)c1 257340249 ZFERSGYUDXQRIX-UHFFFAOYSA-N 360.465 3.698 0 40 FHAB CC(C)(C)C(=O)N1CCC(c2nccnc2-c2cccc(C(=O)O)c2)CC1 257340918 ZICLWHZRSBSNKF-UHFFFAOYSA-N 367.449 3.594 0 40 FHAB CSc1ccccc1C(=O)N1CC[C@@H](N2CCc3ccccc3C2)C1 408612297 VHFKSWSAXNBYQM-GOSISDBHSA-N 352.503 3.681 0 40 FHAB O=C(Oc1cccc2cccnc12)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408658601 JUOCNXIKRKZNLA-AWEZNQCLSA-N 366.804 3.847 0 40 FHAB CCCOC(=O)c1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1 408730790 IPOXROPQWYTYSM-ATVHPVEESA-N 353.349 3.737 0 40 FHAB CCCN(Cc1ccnc(C)c1)C1CCN(c2cc(C)nc(C)n2)CC1 527538755 LTAFSKQVBRSWHR-UHFFFAOYSA-N 353.514 3.678 0 40 FHAB CC(C)[C@@H](c1ccccc1)c1nc(-c2ccc(NS(C)(=O)=O)cc2)no1 544994315 JZJKNJNCASNSTK-KRWDZBQOSA-N 371.462 3.896 0 40 FHAB O=C(NCc1ccc(-c2ccncc2)cc1)N1C[C@@]2(CCCO2)[C@H]1C1CC1 556751946 SKAVPPUZXIZRQD-IRLDBZIGSA-N 363.461 3.602 0 40 FHAB O=C(NCC[C@H](CCO)c1ccsc1)c1ccc(OC(F)(F)F)cc1 575622248 YKODMQAZVYXTIJ-GFCCVEGCSA-N 373.396 3.933 0 40 FHAB O=C(c1ccc(-c2cncnc2)cc1F)N1CCC=C(c2cccnc2)C1 576504271 TVJVTJDTQYFBDO-UHFFFAOYSA-N 360.392 3.607 0 40 FHAB CN(C(=O)c1cnc2nccnc2c1)c1ccc(Cl)c(C(F)(F)F)c1 578877210 FJGWTTCPMJUYBB-UHFFFAOYSA-N 366.730 3.974 0 40 FHAB Cc1ccccc1-c1n[nH]c2c1CCN(C(=O)Cc1ccc(F)cc1)CC2 585110331 GTQUGXKVAOTYRL-UHFFFAOYSA-N 363.436 3.694 0 40 FHAB Cc1ccc(N2CCC[C@@H](C(=O)Nc3cccc(Cl)c3Cl)C2)nn1 585235227 TZXGBWFZZOBJIU-GFCCVEGCSA-N 365.264 3.947 0 40 FHAB Cc1ccc([C@H]2CCCN2C(=O)Cc2cc(Cl)c3c(c2)OCCO3)o1 604731604 JIBIPOPRANWWMO-OAHLLOKOSA-N 361.825 3.919 0 40 FHAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NC3(C(F)F)CCCC3)n2)n1 644558564 AVMZGEASYOOENX-UHFFFAOYSA-N 368.815 3.845 0 40 FHAB COc1cc(C(=O)N2CCCC[C@@H]2c2cc(C)[nH]n2)c2ccccc2n1 1558569293 HYLVGJYHQSOIGH-GOSISDBHSA-N 350.422 3.642 0 40 FHAB C[C@H]1CN(c2cccc(Cl)c2)CCN1C(=O)c1cccc2[nH]ncc12 1569686069 RXTPQCMPRUNZRY-ZDUSSCGKSA-N 354.841 3.567 0 40 FHAB Cc1cc2c(CC(=O)NC[C@@H](CO)c3ccc(F)cc3)csc2s1 1615610165 FCJNSHITCHFBGL-AWEZNQCLSA-N 363.479 3.845 0 40 FHAB CCCSCc1nnc2sc(-c3cccc(OC)c3OC)nn12 1775972078 CZOFWSQAGWSTHP-UHFFFAOYSA-N 350.469 3.513 0 40 FHAB Cn1cc(-c2ccc(CCNC(=O)CCc3ccccc3F)cc2)cn1 1889260577 IVIIZWZGWHMEAQ-UHFFFAOYSA-N 351.425 3.518 0 40 FHAB Cc1cccc(CN2CCC(Nc3ccccc3)(C(=O)N3CCC3)CC2)c1 2055751400 SKRQHQCJBPCPTK-UHFFFAOYSA-N 363.505 3.674 0 40 FHAB O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1cccc2ccccc12 2651511 GQTSBYIQMOAYSA-OAQYLSRUSA-N 369.424 3.984 0 40 FHAB O=C1N=C2C=CC=CN2[C@](c2ccc(F)cc2)(C(Cl)(Cl)Cl)N1 823259 JXNQUZIAELVQIN-CYBMUJFWSA-N 360.603 3.856 0 40 FHAB O=C(NCCc1cccs1)c1nccnc1-c1nc2ccccc2s1 8724127 FTNNSIXRAORWSB-UHFFFAOYSA-N 366.471 3.787 0 40 FHAB O=C(Cn1nnc2ccccc21)Nc1ccc(OCc2ccccc2)cc1 908212 KXQOEPSTVPSZIC-UHFFFAOYSA-N 358.401 3.649 0 40 FHAB O=C(CSc1nnc(NCc2ccccc2)s1)Nc1ccccc1 3490894 YNCIHIVIFAJSFM-UHFFFAOYSA-N 356.476 3.881 0 40 FHAB CC(=O)c1cc2c(cc1NC(=O)c1ccc(Br)cc1)OCO2 682466 ZLRQHAYDLPZIMB-UHFFFAOYSA-N 362.179 3.633 0 40 FHAB COc1cc(C(=O)N[C@H](C)c2ccco2)cc(OC)c1Br 7244232 OBMVUPHVNMUFLI-SECBINFHSA-N 354.200 3.550 0 40 FHAB COC(=O)c1ccc(C)c(NC(=S)NCCSc2ccccc2)c1 7368561 OYGDRKLKDGFUQC-UHFFFAOYSA-N 360.504 3.860 0 40 FHAB COc1cc(C)c(C)cc1S(=O)(=O)n1cc(C)nc1-c1ccccc1 7425083 WFMKNBDFXFTYOI-UHFFFAOYSA-N 356.447 3.721 0 40 FHAB Cc1ccc(-c2noc(CN(C)C(=O)COc3ccc(C)c(C)c3)n2)cc1 7759628 NKDCSOLVNUEIPI-UHFFFAOYSA-N 365.433 3.699 0 40 FHAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@H]1Cc2ccccc2O1 7957938 QXZFEMDGONKAKN-LJQANCHMSA-N 374.444 3.614 0 40 FHAB COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1 8218488 VGLJZSQPTRTYKN-CYBMUJFWSA-N 358.825 3.649 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)Oc2ccc(Oc3ccccn3)cc2)cc1 23043112 RVDZPCIUVWQSEN-UHFFFAOYSA-N 369.398 3.844 0 40 FHAB O=C(c1cccc(C2OCCO2)c1)c1ccc(Br)c(F)c1 43212560 GTSUCDRNQGSBRX-UHFFFAOYSA-N 351.171 3.865 0 40 FHAB COc1ccc(-c2nc(C(=O)N[C@@H](C)c3cccnc3)cs2)cc1OC 25254253 XGABSTQCNIFNHT-LBPRGKRZSA-N 369.446 3.713 0 40 FHAB CC1CCN(c2ncc(-c3cccc(F)c3)c(-c3nccn3C)n2)CC1 57775449 SPQKZMNBKSHMGM-UHFFFAOYSA-N 351.429 3.920 0 40 FHAB O=c1cc(CNc2ccccc2N2CCCCCC2)nc2sccn12 56006082 NFGKCBAUQGRKIO-UHFFFAOYSA-N 354.479 3.749 0 40 FHAB O=C(/C=C/c1cccs1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 25765117 PIOZJDIKXVDQHO-GQCTYLIASA-N 367.396 3.524 0 40 FHAB Clc1ccccc1-c1noc(CN2CCN(c3ccccc3)CC2)n1 57381137 XKFSZTGSJNYDDU-UHFFFAOYSA-N 354.841 3.712 0 40 FHAB C[C@H](CNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCc2sccc2C1 44491711 IKJLNWBFGAVJHZ-NFAWXSAZSA-N 374.472 3.980 0 40 FHAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1cc(Cl)ccc1Cl 8711914 SQNHFUSJHVZUQQ-MRXNPFEDSA-N 366.244 3.689 0 40 FHAB CCc1ccccc1NC(=O)COC(=O)c1ccccc1Br 1934132 JZYFMNOMBMSJNX-UHFFFAOYSA-N 362.223 3.807 0 40 FHAB Cc1cccc(N2N=C([N+](=O)[O-])[C@H](c3ccco3)N[C@@H]2c2ccco2)c1 19805166 IDBLEEIPVIDKIW-IRXDYDNUSA-N 352.350 3.621 0 40 FHAB CCc1ccc2oc(C(=O)Nc3onc4c3C[C@H](C)CC4)cc(=O)c2c1 27748229 ZVRCGJYNCLNLFL-LLVKDONJSA-N 352.390 3.721 0 40 FHAB O=C(NC(=S)Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccccc1 20151441 ZBWMXLLHMNHJOB-UHFFFAOYSA-N 369.229 3.818 0 40 FHAB Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)NCCC1=CCCCC1 3275280 KDQZLBYZFLGFLF-UHFFFAOYSA-N 371.264 3.739 0 40 FHAB O=C(NC1(c2ccc(F)cc2)CCC1)c1nc(N2CCCC2)ncc1Cl 58417218 DGVBJQNBQFSYTI-UHFFFAOYSA-N 374.847 3.679 0 40 FHAB CCOCCCn1c(N)c(C(=O)OC(C)(C)C)c2nc3ccccc3nc21 2245951 WBESMOYYDMPEEA-UHFFFAOYSA-N 370.453 3.549 0 40 FHAB O=C(N/C(=C\c1ccc(Cl)cc1)C(=O)N1CCCCC1)c1ccco1 12656801 IGCXHGXUWAERNW-SSZFMOIBSA-N 358.825 3.716 0 40 FHAB C[C@H](OCCCNC(=O)c1cnn(Cc2ccccc2)c1)c1ccccc1 23021610 DHHFXPSXIJIVHU-SFHVURJKSA-N 363.461 3.829 0 40 FHAB O=C(c1ccn(COc2cccc(C(F)(F)F)c2)n1)N1CCCCCC1 28236441 XJPOUJHGSWVDIJ-UHFFFAOYSA-N 367.371 3.955 0 40 FHAB O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H](c2nnc3ccccn23)C1 11008950 BYFBABJZMBZGRR-CYBMUJFWSA-N 355.829 3.794 0 40 FHAB CC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)ccc1OC 27978733 RWQNZSJSXNAIPV-CQSZACIVSA-N 363.797 3.873 0 40 FHAB CCc1ccc(-c2csc(NC(=O)Cc3c(C)nn(C)c3C)n2)cc1 11201422 NNTQAINFDQJCER-UHFFFAOYSA-N 354.479 3.904 0 40 FHAB O=C1CCc2cc(C(=O)NCCCCOc3ccc(Cl)cc3)ccc2N1 24229249 CPPDMJXNBMCDEX-UHFFFAOYSA-N 372.852 3.814 0 40 FHAB Cc1nnc(SCC(=O)Nc2ccc(Br)c(C)c2)s1 2534519 MZESCDADUBUYRU-UHFFFAOYSA-N 358.286 3.648 0 40 FHAB O=C(O)CCCn1c(/C=C/c2ccc(F)c(F)c2)nc2ccccc2c1=O 46102257 ZUFKLBODZBQXSD-CSKARUKUSA-N 370.355 3.710 0 40 FHAB CCN(C(=O)CN1CCC[C@H]1c1cc(OC)ccc1OC)c1ccccc1 12789432 WFVDKTAYHQOTCJ-FQEVSTJZSA-N 368.477 3.894 0 40 FHAB Cc1ccc([C@@H](CNC(=O)c2cc3ccccc3s2)N2CCOCC2)o1 48324473 NMGZRSSKUQYEPN-MRXNPFEDSA-N 370.474 3.606 0 40 FHAB CCc1cccc(N2C[C@H](C(=O)N[C@H](C)c3cccc(F)c3)CC2=O)c1 12921563 CFCCTFBHJNCKHO-RHSMWYFYSA-N 354.425 3.618 0 40 FHAB COc1cc(S(=O)(=O)Nc2ccc3ccccc3c2)ccc1NC(C)=O 13041299 DJTPKWNMCNDOIU-UHFFFAOYSA-N 370.430 3.608 0 40 FHAB Nc1nc2n(n1)[C@H](c1ccco1)C[C@@H](c1ccc(Cl)c(Cl)c1)N2 13127553 MFPXQSHETAFTKO-RYUDHWBXSA-N 350.209 3.906 0 40 FHAB CC(=O)Nc1cc2ccccc2cc1C(=O)NCC(C)(C)N1CCCCC1 49634684 HZIHFJLPTUOKRW-UHFFFAOYSA-N 367.493 3.793 0 40 FHAB Cc1cc(=O)n(C[C@@H]2CC(c3ccc(N(C)C)cc3)=NO2)c2ccccc12 5370497 FAZYZOFOMMIOPK-SFHVURJKSA-N 361.445 3.569 0 40 FHAB CN1C(=O)[C@@](O)(CC(=O)c2cccc3ccccc23)c2cc(Cl)ccc21 4556187 SPIIAPVZKWRBQI-OAQYLSRUSA-N 365.816 3.930 0 40 FHAB COC(=O)CCn1c(C)cc(-c2csc(NCc3ccco3)n2)c1C 14229318 ZUFWEFIQDFEHDR-UHFFFAOYSA-N 359.451 3.997 0 40 FHAB CN(Cc1ccccc1)C(=O)c1ccccc1I 5509920 QGTQFYDVXOAYSD-UHFFFAOYSA-N 351.187 3.563 0 40 FHAB COc1cccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1 5559068 VXRSASKYXGGXGO-UHFFFAOYSA-N 374.440 3.920 0 40 FHAB Cc1noc(C)c1CC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 6657953 VYCSBAWRAYSHSQ-FQEVSTJZSA-N 374.444 3.810 0 40 FHAB Cc1ccc(O)c(NC(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)c1 66621839 DEWJBWCMSGXTKZ-UHFFFAOYSA-N 360.776 3.635 0 40 FHAB O=C(COC(=O)c1csc(-c2cccs2)n1)c1ccc2c(c1)OCO2 7075273 QVTISXRDBXDPPA-UHFFFAOYSA-N 373.411 3.640 0 40 FHAB CCCNC(=O)CSc1nnc(SCc2cccc(F)c2)s1 7289977 AYIBQNCCSWJVMB-UHFFFAOYSA-N 357.501 3.588 0 40 FHAB CCn1nnc2cc(C(=O)Nc3nc4ccc(Cl)cc4s3)ccc21 7485989 FYNJDAFLUQVWPM-UHFFFAOYSA-N 357.826 3.967 0 40 FHAB Cc1nc(Cl)ccc1COC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1 96010476 ZLMLIOGCOVOUNB-AWEZNQCLSA-N 368.861 3.780 0 40 FHAB COc1ccc(CC(=O)NCCc2nc3ccccc3n2C(C)C)cc1 71482884 CMJHZTNINSECDA-UHFFFAOYSA-N 351.450 3.527 0 40 FHAB COc1ccc2nc(SCC(=O)c3ccc(NC(C)=O)cc3)[nH]c2c1 7942356 BWRAEKCXRPNTEY-UHFFFAOYSA-N 355.419 3.505 0 40 FHAB C[C@H](Sc1nc(Nc2ccccc2Cl)c2ccccc2n1)C(N)=O 16452666 SVMJIFBMQICUAT-JTQLQIEISA-N 358.854 3.993 0 40 FHAB O=S(=O)(/C=C/c1ccccc1)Nc1cc2c(cc1Cl)OCCCO2 9389973 VFZMILYFSYUVNY-JXMROGBWSA-N 365.838 3.914 0 40 FHAB Cc1nc(-c2cc(C(=O)N[C@@H](C)c3nc4ccccc4[nH]3)n(C)c2)cs1 9337961 PCJVCAFUBBNIPQ-NSHDSACASA-N 365.462 3.824 0 40 FHAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccccc1OC(F)(F)F 16724733 SOYSDSHCOGMRDZ-UHFFFAOYSA-N 353.296 3.538 0 40 FHAB COc1ccc(Nc2nc(N3C[C@@H](C)C[C@@H](C)C3)nc3c2cnn3C)cc1 17245032 NMPKYGAFHNQGLD-OKILXGFUSA-N 366.469 3.598 0 40 FHAB CCOc1ccccc1CNC(=O)c1cc(OC)c2cc(F)cc(F)c2n1 72329604 SJEUEFAQBCLGFR-UHFFFAOYSA-N 372.371 3.850 0 40 FHAB Cc1nc(-c2cccc(NC(=O)N(C[C@@H]3CCOC3)C3CC3)c2)oc1C 84061795 XCDWJMUOXHEWOD-HNNXBMFYSA-N 355.438 3.991 0 40 FHAB O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cocn1 97001409 JYEXENDJSMDNAH-UHFFFAOYSA-N 353.325 3.993 0 40 FHAB Cn1cc(NC(=O)c2ccccc2OCc2ccccc2Cl)ccc1=O 84314527 JRCWQKJNKSWKCE-UHFFFAOYSA-N 368.820 3.870 0 40 FHAB CCN(C)[C@H](C(=O)Nc1nnc(-c2ccsc2)s1)c1ccccc1 95349676 JZPYXHQGGWYTBT-AWEZNQCLSA-N 358.492 3.898 0 40 FHAB Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@@H]1CCOC1 95642827 BIQABKFYKJRXII-LLVKDONJSA-N 374.803 3.916 0 40 FHAB in-vitro CCCOc1ccc(OCC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 9900750 CHNPXNXIVBQMAU-UHFFFAOYSA-N 364.445 3.920 0 40 FHAB O=C(c1cc(Cl)ccc1NCCCOCC(F)(F)F)N1CCCC1 75093249 AEXWPNOLRULTSN-UHFFFAOYSA-N 364.795 3.957 0 40 FHAB CC(C)(C)c1ccc(CCC(=O)NC[C@H]2COc3ccccc3O2)cc1 21873053 LMYVWZMJNDEPPA-SFHVURJKSA-N 353.462 3.873 0 40 FHAB CC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 408708843 UMLCIAYIYKKPJQ-UQPPLGOBSA-N 360.473 3.900 0 40 FHAB CCC[C@@H](c1nnnn1C1CCCCC1)N1CCN(C2CCCCC2)CC1 20121549 HQNQTSAPKVHHSO-FQEVSTJZSA-N 374.577 3.970 0 40 FHAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cccc(OC)c2)cc1 20490013 NAXTZBLDUVGJCE-SFHVURJKSA-N 357.406 3.668 0 40 FHAB COc1cccc2cc(C(=O)Nc3ccccc3OC(F)F)c(=O)oc12 30768939 BVIHVQQDFXJJSO-UHFFFAOYSA-N 361.300 3.655 0 40 FHAB CN1C(=O)C[C@H](C(=O)Nc2ccc3cc[nH]c3c2)[C@@H]1c1ccc(Cl)cc1 61719426 KNXMRRJUWHVILJ-LPHOPBHVSA-N 367.836 3.979 0 40 FHAB COc1cccc(-c2cccc([C@@H]3CCCN(Cc4cnn(C)c4)C3)n2)c1 72349959 FHBJVQAIHBSFNA-LJQANCHMSA-N 362.477 3.870 0 40 FHAB CC(C)c1cc(-c2nnc3sc(Cc4ccc(Cl)cc4)nn23)n(C)n1 79492895 MQCIDKJPJBPCMQ-UHFFFAOYSA-N 372.885 3.954 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2ccc(Cl)cc2)CC1 39742477 GLXNFHVKLYFJOL-UHFFFAOYSA-N 372.852 3.919 0 40 FHAB CCN(CC)C(=O)CN1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 72348745 HFLDCLUZYQISMQ-SFHVURJKSA-N 369.484 3.936 0 40 FHAB Cc1nnsc1-c1nnc2sc(-c3cc(Cl)ccc3Cl)nn12 72406152 QJKZVGSUNZPDIU-UHFFFAOYSA-N 369.262 3.987 0 40 FHAB C[C@H]1CCN(C(=O)C(Cc2ccccc2)Cc2ccccc2)C[C@H]1C(=O)O 567048696 NSBKWTLTOLANMI-LAUBAEHRSA-N 365.473 3.657 0 40 FHAB COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1Cl 225736626 FSIGGOLIQFWEKE-UHFFFAOYSA-N 358.825 3.837 0 40 FHAB COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COC(C)C 224431314 OPYHLHAWOLDWDS-UHFFFAOYSA-N 356.422 3.831 0 40 FHAB CCCOC1(C(=O)Nc2ccc(OCCOCC)nc2)CCC(C)CC1 225912295 UJAORUGOYDAGGR-UHFFFAOYSA-N 364.486 3.811 0 40 FHAB Fc1ccc(CCCNC(=S)Nc2ccc(N3CCCC3)nc2)cc1 223968337 PRMQBOSOARLWMD-UHFFFAOYSA-N 358.486 3.740 0 40 FHAB CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cn1 225871845 QKKSNVVYBANAAO-UHFFFAOYSA-N 354.450 3.947 0 40 FHAB Cc1ccccc1C(=O)c1ccccc1CN1CCC2(CC1)OCCO2 85651526 YYEUGDZPULWKSA-UHFFFAOYSA-N 351.446 3.565 0 40 FHAB CCOc1ccc(C(=O)N(C)Cc2nc(-c3cccs3)no2)cc1C 225437999 KIDGYTLCVAXMPQ-UHFFFAOYSA-N 357.435 3.777 0 40 FHAB C[C@H](NC(=O)CSCc1ccccc1F)c1ccc2c(c1)OCCO2 42853354 HAYRRTMPXNYQQM-ZDUSSCGKSA-N 361.438 3.708 0 40 FHAB C[C@@H](c1nc2ccccc2n1C(F)F)N1CCN(Cc2ccccn2)CC1 47705145 KHFOSYPHRMZKDJ-HNNXBMFYSA-N 371.435 3.705 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 223726091 SWXXBEABOZJQAS-INIZCTEOSA-N 372.896 3.744 0 40 FHAB CCCO[C@@]1(C(=O)Nc2ccc(OCCOC)nc2C)CCC[C@H](C)C1 225911228 RGYWMTWIWUGGGB-YWZLYKJASA-N 364.486 3.729 0 40 FHAB Cc1cccc(COC[C@H]2CC3(CCN(Cc4ccoc4)CC3)CO2)n1 96207278 QMUHTIIVIZYEDA-HXUWFJFHSA-N 356.466 3.571 0 40 FHAB COc1ccc2nc(CO[C@H]3CN(Cc4ccc(C)cc4)C[C@H]3F)[nH]c2c1 96112268 XNKAYVAJIXNHAL-XLIONFOSSA-N 369.440 3.619 0 40 FHAB biogenic,in-vitro CCC(=O)N1CCO[C@@H](c2cc(Cc3cccc(Cl)c3)cc(C)n2)C1 257227970 FRUKNRUKFIMXMU-LJQANCHMSA-N 358.869 3.944 0 40 FHAB O=C(O)c1ccccc1-c1ccc(CN2CCO[C@H](c3ccccn3)C2)o1 257251907 JSUVINYFWWYWCN-FQEVSTJZSA-N 364.401 3.613 0 40 FHAB Cc1cccnc1Nc1cc([C@@H]2CCCN(Cc3ccnn3C)C2)ccn1 257332771 XYOJAALUTNUDQY-GOSISDBHSA-N 362.481 3.642 0 40 FHAB Cc1cnn([C@@H]2CCCN(C(=O)Cc3ccc(C(F)(F)F)cc3)C2)c1 109685529 KEMGOUXRKONWLK-MRXNPFEDSA-N 351.372 3.617 0 40 FHAB C=CC(=O)Nc1cccc(C(=O)Nc2cscc2Br)c1 1636628524 ZAWLKTXNYWCGHO-UHFFFAOYSA-N 351.225 3.887 0 40 FHAB CC(C)[C@H](O)[C@H](NC(=O)C[C@H](O)c1ccc(Cl)cc1)c1ccccc1 1118793594 XZGPQWUFFVGQDT-SXLOBPIMSA-N 361.869 3.638 0 40 FHAB CN1C(=O)CN=C(c2ccc(Br)cc2)c2cc(Cl)ccc21 675082165 GVSKSUDBKXVLGR-UHFFFAOYSA-N 363.642 3.916 0 40 FHAB O=C(NC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)c1ccsc1 56519018 ZOPJXOHAMFOLQI-UHFFFAOYSA-N 363.870 3.828 0 40 FHAB O=C(NCCCOCCc1ccccc1)N1CCC[C@@H]1c1ccncc1 56990352 QCIOXVXHIZAZSR-HXUWFJFHSA-N 353.466 3.578 0 40 FHAB CCn1c(CN(C)C(=O)N[C@@H](C)CCc2ccco2)nc2ccccc21 58363978 ARMZSQAAIXULSM-HNNXBMFYSA-N 354.454 3.812 0 40 FHAB C[C@H](NC(=S)N[C@H]1C[C@H]2CC[C@H]1C2)c1nc(-c2ccc(F)cc2)no1 107348301 HEVZEDXNHVYUKL-UHXUCMFUSA-N 360.458 3.589 0 40 FHAB O=C([C@H]1OCCc2ccccc21)N1CCC(c2ccc3cccnc3n2)CC1 655267130 PABMYGNLZJZDGD-NRFANRHFSA-N 373.456 3.650 0 40 FHAB Cc1ccc(NC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)c(C)c1 5268994 PDINSPHGRNCQFP-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(C(=O)N(C)C)cc1 13024050 UZIZJXHHUWSDLY-ZDUSSCGKSA-N 360.841 3.756 0 40 FHAB COc1ccc(-c2noc(CCC(=O)N[C@H](C)c3ccc(F)cc3)n2)cc1 14054303 FCPSREOVNKDOJW-CYBMUJFWSA-N 369.396 3.694 0 40 FHAB C[C@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)N1CCCC1 14108704 KIGPFPBYQQKVRA-ZDUSSCGKSA-N 353.447 3.993 0 40 FHAB CC(=O)N1Cc2ccccc2O[C@H]([C@H]2CCCN(Cc3ccc(C)o3)C2)C1 19216606 WXDOUYDZPYTWSA-AVRDEDQJSA-N 368.477 3.610 0 40 FHAB CN(C(=O)Cc1ccccc1)C1CCC2(CC1)CNCc1ccccc1O2 19586726 APFQTNWDDGNRCX-UHFFFAOYSA-N 364.489 3.551 0 40 FHAB Cc1ccc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc1 7400674 SRHWLIMPAWAMBH-RGEXLXHISA-N 371.400 3.878 0 40 FHAB O=C(Nc1cccc(N2CCCCC2=O)c1)c1cc2ccccc2oc1=O 5441646 FZPUISAUBLQABZ-UHFFFAOYSA-N 362.385 3.562 0 40 FHAB Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(O)cc2)c1 18335421 JENMVOYFNNEJII-UHFFFAOYSA-N 353.447 3.926 0 40 FHAB CC(C)[C@@H]1C=CC[C@](C)(O)C[C@@H]2O[C@]2(C)C[C@H]1OC(=O)c1ccc(O)cc1 1280652 JJEBKVFRHNKOBW-HIHICTBBSA-N 374.477 3.838 0 40 FHAB CCCCn1cc(S(=O)(=O)c2ccc(F)cc2)c(=O)c2ccccc21 4193402 RHWXTWIHXHDLFI-UHFFFAOYSA-N 359.422 3.774 0 40 FHAB Cc1ccccc1-n1ncc2c(=O)n(Cc3c(F)cccc3Cl)cnc21 4479084 KZEGJFVAJKWCNS-UHFFFAOYSA-N 368.799 3.731 0 40 FHAB O=c1c2cnn(-c3cccc(Cl)c3)c2ncn1Cc1cccc(Cl)c1 4479170 ATRWSPOHTMLYOA-UHFFFAOYSA-N 371.227 3.937 0 40 FHAB CC(C)Oc1ccc(OCCSc2nnc(-c3ccccc3)n2N)cc1 4454469 ARPIKGGVTJYLOK-UHFFFAOYSA-N 370.478 3.617 0 40 FHAB COc1cccc(N2C[C@@H](NC(=O)Nc3c(C)cc(C)cc3C)CC2=O)c1 5189995 UNEXYDYAKRXDAI-INIZCTEOSA-N 367.449 3.547 0 40 FHAB O=C(COc1ccccc1F)NCCc1csc(-c2cccc(F)c2)n1 5137538 ZEIFCEQUHKKPNK-UHFFFAOYSA-N 374.412 3.826 0 40 FHAB CCCN1C(=O)CCc2cc(NC(=O)COc3ccccc3C)ccc21 9107274 HZBODAWSRWPWOJ-UHFFFAOYSA-N 352.434 3.702 0 40 FHAB CN(C)C(=O)C1(Nc2ccccc2)CCN(Cc2ccccc2Cl)CC1 2055751431 WQUBRHIJULYSKU-UHFFFAOYSA-N 371.912 3.875 0 40 FHAB O=C(Nc1cccc(F)c1)Nc1nccn(-c2cccc(Cl)c2)c1=O 23126858 YKOYVJNEEWRLJP-UHFFFAOYSA-N 358.760 3.669 0 40 FHAB CN(Cc1ccccc1)C(=O)CSC(=S)N1CCc2ccccc2C1 215679964 CGQJQAAOHKKVLK-UHFFFAOYSA-N 370.543 3.721 0 40 FHAB CCN(CC)C(=O)N1CCC[C@H](C(=O)N[C@H](c2cccs2)C(C)C)C1 40088467 NDAJCUANFOLLRZ-RDJZCZTQSA-N 365.543 3.735 0 40 FHAB CCCc1nnc(NC(=O)c2nnn(-c3ccc(C)cc3)c2C(C)C)s1 40141376 XMBZTMZEJYZLER-UHFFFAOYSA-N 370.482 3.755 0 40 FHAB CCC[C@H](NC(C)=O)C(=O)Nc1ccc(SCc2cccnc2)cc1 40156795 LXLWLYDUMKJDLB-SFHVURJKSA-N 357.479 3.617 0 40 FHAB COc1ccc([C@@H]2[C@H](C(=O)N(C)C)CCC(=O)N2c2ccc(C)cc2)cc1 30806263 QWCRXVIZJJSZOX-TZIWHRDSSA-N 366.461 3.576 0 40 FHAB O=C(NC[C@@H]1COc2ccccc2O1)Nc1cccc(OC2CCCC2)c1 31041012 MBPYORCQRQRVBE-GOSISDBHSA-N 368.433 3.970 0 40 FHAB FC(F)(F)c1cc(C(F)(F)F)c2ccc(N3CCOCC3)nc2n1 20218490 AXGIKNSNRYSNSI-UHFFFAOYSA-N 351.250 3.504 0 40 FHAB Cc1ccc(C(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc1C 100508857 GSIUFUBNIGAUMP-SNHGZMDHSA-N 371.436 3.846 0 40 FHAB Cc1ccc(-n2ncc3c2N=C(O)C[C@@]32C(=O)N(C)c3ccccc32)c(C)c1 20739957 IQDXWMRUYAQRJQ-QFIPXVFZSA-N 372.428 3.743 0 40 FHAB O=C(NCCc1ccc2c(c1)OCO2)c1cccnc1Oc1ccccc1 32741233 DDYNQZGRLRNTGM-UHFFFAOYSA-N 362.385 3.575 0 40 FHAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)NC1CCCCCC1 102413082 HKFOETLYRDKGQF-SNEKZUEESA-N 367.917 3.946 0 40 FHAB CC(C)CN1C[C@@H](C(=O)Nc2ccc(Nc3ccccc3)cc2)CC1=O 29763212 POEVYDPEDRUBCD-INIZCTEOSA-N 351.450 3.873 0 40 FHAB O=C(CSc1nnnn1Cc1cccs1)c1ccc2c(c1)CCCC2 29744544 QXYQWFXXKUCKCU-UHFFFAOYSA-N 370.503 3.637 0 40 FHAB O=C1c2cccc3c(N4CCCC4)ccc(c23)C(=O)N1c1ccc(O)cc1 848845 WUSMQAATEOKEIU-UHFFFAOYSA-N 358.397 3.946 0 40 FHAB Nc1ccccc1S[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 1045051 GJEPFNGOMIWOHX-AWEZNQCLSA-N 367.257 4.000 0 40 FHAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc(C(=O)NC2CC2)c1 22228663 NWNKZIGOCYIYFG-CYBMUJFWSA-N 372.852 3.947 0 40 FHAB O=C(NCc1ccc(Cl)s1)N1CCO[C@@H](c2ccc(F)cc2)C1 46995710 CAPSWQRBBZTQNH-CQSZACIVSA-N 354.834 3.824 0 40 FHAB COc1ccccc1OCc1nnc(SCc2ccc(F)cc2)n1C 6234747 HWFATTAPSSSONY-UHFFFAOYSA-N 359.426 3.834 0 40 FHAB Cc1ccc(C)c(-c2csc(NC(=O)Cn3c(C)csc3=O)n2)c1 22559260 QKHQQTQCJIXSEB-UHFFFAOYSA-N 359.476 3.597 0 40 FHAB CCc1[nH]c(C(=O)Nc2cc(Cl)ccc2OC)c(C)c1C(=O)OC 23120161 CXYNNQGJCIMAMO-UHFFFAOYSA-N 350.802 3.586 0 40 FHAB CCCn1ncc(CN2[C@H]3CC[C@H]2CC(O)(c2ccccc2OC)C3)c1C 100727343 HSCNONCKOXJPDS-OALUTQOASA-N 369.509 3.625 0 40 FHAB c1ccc(-n2cc(-c3nn4c(-c5cccs5)nnc4s3)cn2)cc1 12409205 LLCABJALADBUII-UHFFFAOYSA-N 350.432 3.767 0 40 FHAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 12525975 XJFIAFQUQMVVAP-UHFFFAOYSA-N 373.352 3.601 0 40 FHAB COc1cc(C)c(S(=O)(=O)Nc2ccc(Br)cc2)c(C)c1 29046158 SIRCYWIPAHZBHZ-UHFFFAOYSA-N 370.268 3.875 0 40 FHAB CCCc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 12550592 OQTACUJZRYGHCG-INIZCTEOSA-N 369.490 3.864 0 40 FHAB C[C@H]1c2cccc(C(=O)NCc3ccccc3Cn3ccnc3)c2O[C@@H]1C 25666312 LLDSMCTYSIALMN-HZPDHXFCSA-N 361.445 3.746 0 40 FHAB CC(=O)Nc1cccc([C@@H](C)NC(=O)NCc2cccc(OC(C)C)c2)c1 56411842 BLIPCXVOIRLCQU-OAHLLOKOSA-N 369.465 3.993 0 40 FHAB CCC[C@@H](Sc1nnc(-c2ccccc2)n1C)C(=O)Nc1cc(C)on1 8774542 GUDUQGKIJSLHKU-CQSZACIVSA-N 371.466 3.678 0 40 FHAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CC(=O)Nc2ccccc21 20456682 BCAIQIBSGQOCTL-FQEVSTJZSA-N 360.413 3.983 0 40 FHAB O=C(Cc1ccc(F)cc1)Nc1ccccc1C(=O)NCc1ccco1 105338146 UZKAMPNOOMRIPE-UHFFFAOYSA-N 352.365 3.530 0 40 FHAB CCOc1ccc(Oc2ccc(N[C@@H]3CC(=O)N(C4CC4)C3=O)cc2)cc1 102845731 VDMAJPOTXPKOHN-LJQANCHMSA-N 366.417 3.579 0 40 FHAB CC(C)n1ncc2cc(NC(=O)N3CCC[C@H](C(F)(F)F)C3)cnc21 48231881 FBUXOXMQXWCCCN-LBPRGKRZSA-N 355.364 3.818 0 40 FHAB CCOC(=O)CSC(=S)NC(=O)c1sc2ccccc2c1Cl 2049234 LWARWIXBUCSDSD-UHFFFAOYSA-N 373.908 3.866 0 40 FHAB Cc1c(C(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)oc2ccccc12 58192693 ZALDMVYFDIEDMK-UHFFFAOYSA-N 368.477 3.852 0 40 FHAB Cc1nc(S[C@H](C)c2ccc(OC(F)F)cc2)sc1CC(N)=O 58167517 ZVQGVPDDESNVQB-SECBINFHSA-N 358.435 3.934 0 40 FHAB CS(=O)(=O)Cc1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 58297780 JIPYYDPSVGUNKB-UHFFFAOYSA-N 372.368 3.894 0 40 FHAB CCSc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)cn1 58032238 ANEVIRXBDAGZAT-UHFFFAOYSA-N 367.478 3.913 0 40 FHAB C[C@]1(C(=O)OCC(=O)Nc2ccc3ccccc3c2)CC1(Cl)Cl 3302388 OMSAMJHCTBPJHS-MRXNPFEDSA-N 352.217 3.905 0 40 FHAB CN(C[C@@H]1CCCN1C(=O)Cc1cccc2cccnc12)c1ccccc1 58442134 QENRGGUTXCYVSH-NRFANRHFSA-N 359.473 3.905 0 40 FHAB CC(C)C[C@H](NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)c1ccccc1 2360762 PDYMKULBIKQYGY-KXBFYZLASA-N 364.445 3.575 0 40 FHAB CC(C)CN1CCC(NC(=O)N[C@H](C)c2ccccc2OC(C)C)CC1 45463385 JOSMNKMXACTVSX-QGZVFWFLSA-N 361.530 3.954 0 40 FHAB CC(C)CN1CCC(NC(=O)N[C@H](C)Cc2ccccc2Cl)CC1 45463493 HMNFCEUMSMUOBC-OAHLLOKOSA-N 351.922 3.691 0 40 FHAB O=C(NCc1ccc(NC(=O)c2ccco2)cc1)C1=Cc2ccccc2OC1 11146745 COXPMKYSFUOZCH-UHFFFAOYSA-N 374.396 3.624 0 40 FHAB CCOc1ccccc1NC(=O)c1cn(CC)c2ccc(C)cc2c1=O 408713104 KHKFMZUWTVGFMU-UHFFFAOYSA-N 350.418 3.981 0 40 FHAB Cc1noc(C)c1CS[C@H](C)c1nc(N)nc(Nc2ccccc2)n1 29678670 ATBZQDPJYKSMNL-GFCCVEGCSA-N 356.455 3.797 0 40 FHAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)NC1CC1 3467694 UITGVIROTQIHKK-UHFFFAOYSA-N 360.413 3.646 0 40 FHAB CCOc1ccc(C(=O)[C@H](C)Sc2nc3nc(C)cc(C)n3n2)cc1 3467533 FUDJRLBGUAFDAO-ZDUSSCGKSA-N 356.451 3.503 0 40 FHAB C[C@H](O)c1nc2ccccc2n1Cc1nnc(-c2ccc(Cl)cc2)o1 3406033 SAPOCDSZEOUDOK-NSHDSACASA-N 354.797 3.841 0 40 FHAB COc1ccccc1N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 3411880 GOTUUJZPGRHKGA-UHFFFAOYSA-N 364.367 3.676 0 40 FHAB C[C@H](OCCCNC(=O)c1cncc(Br)c1)c1ccccc1 13011196 NMVKATMYQJICNX-ZDUSSCGKSA-N 363.255 3.742 0 40 FHAB CC(=O)Nc1ccc(SCC(=O)NCC2(c3ccccc3)CC2)cc1 8919962 BQTSWMYTLPLHIU-UHFFFAOYSA-N 354.475 3.585 0 40 FHAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@H](c2ccncc2)N1 5071897 IHRYZVCTAUDJSQ-FQEVSTJZSA-N 367.412 3.880 0 40 FHAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Br)cn2)cc1 13744515 SKOOCTKOLQWHPZ-UHFFFAOYSA-N 369.284 3.942 0 40 FHAB COc1ccccc1CNC(=O)c1ccccc1C(=O)c1cccs1 14084131 ADAHUDIPSOHYMS-UHFFFAOYSA-N 351.427 3.918 0 40 FHAB CNC(=O)CSc1nnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1 5358249 UBFFNFGRNZYPIW-UHFFFAOYSA-N 364.474 3.661 0 40 FHAB Cn1nc(C(=O)OCc2ccc(Cl)cc2Cl)c2ccccc2c1=O 5416251 AXQFUTVWYRQHTK-UHFFFAOYSA-N 363.200 3.597 0 40 FHAB Cc1cc(C)cc(OCC(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2)c1 6566326 XZUDDASYIOHFTH-AWEZNQCLSA-N 361.825 3.906 0 40 FHAB O=C(Cc1ccc2c(c1)CCCC2)Nc1cccc(C(=O)N2CCCC2)c1 29263640 MBDVSFSAZWVONY-UHFFFAOYSA-N 362.473 3.983 0 40 FHAB Cc1cccc(Nc2nnc(SCC(=O)N3CCC[C@@H](C)C3)s2)c1 6784986 UKQUFZCHQFOPHU-CYBMUJFWSA-N 362.524 3.941 0 40 FHAB Cc1nc(SCC(=O)NC(=O)NCCC(C)C)n(C2CCCC2)c1C 7140189 RYACSUQYZNOMAX-UHFFFAOYSA-N 366.531 3.579 0 40 FHAB Cc1sc2ncn(CC(=O)N(C3=CCCCC3)C3CC3)c(=O)c2c1C 7383707 GSHUIHUGCCRBOD-UHFFFAOYSA-N 357.479 3.524 0 40 FHAB Cc1nnc(SCc2cc3c(cc2Br)OCO3)n1C1CC1 7617828 YLCFGKQDWHIJNR-UHFFFAOYSA-N 368.256 3.705 0 40 FHAB O=C([C@H]1CCCO1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 7780214 FKTMKUHCAUCEJY-BTZGUFSASA-N 365.429 3.683 0 40 FHAB COCc1c(C(=O)O[C@H](C)C(=O)N(C(C)C)C(C)C)oc2ccccc12 7836331 DULFVKIBZPKGAF-CQSZACIVSA-N 361.438 3.770 0 40 FHAB Cc1ccc(F)cc1NC(=O)CCc1c(C)[nH]n(-c2ccc(F)cc2)c1=O 16205941 JKGJKTFKRATPEZ-UHFFFAOYSA-N 371.387 3.632 0 40 FHAB CCc1ccc(CN(C)C(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc1 8132788 IQLKMSCPARWBMH-UHFFFAOYSA-N 363.461 3.812 0 40 FHAB O=C(Cn1nc(-c2cccnc2)oc1=S)c1ccc(OC(F)F)cc1 16768578 CKYNGCIKHRVKJW-UHFFFAOYSA-N 363.345 3.752 0 40 FHAB Cn1nc(C2CCC2)cc1NC(=O)c1cc(Br)cnc1Cl 84303613 REOXGNLEPMPVQJ-UHFFFAOYSA-N 369.650 3.751 0 40 FHAB COC(=O)[C@@H](C(C)C)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 75092795 LMUWGUGCABFMMK-MRXNPFEDSA-N 350.846 3.858 0 40 FHAB CC(C)(C)c1ccc(-c2ccc(C(=O)NCC3(O)CCOCC3)o2)cc1 75229567 RTQXGJSJEWPZFV-UHFFFAOYSA-N 357.450 3.515 0 40 FHAB O=C(Nc1nc(-c2ccccc2)ns1)N[C@@H](c1nccs1)C1CC1 75496954 UOJAMNDQVYYVLF-GFCCVEGCSA-N 357.464 3.934 0 40 FHAB CCn1cc(C(=O)N2CCC(C)CC2)c(=O)c2cc(C(F)(F)F)ccc21 22236883 GPAZIOQDRLWABU-UHFFFAOYSA-N 366.383 3.912 0 40 FHAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCC(C(=O)OC)CC1 20451641 VGFWUXJQXWJVSU-OAHLLOKOSA-N 355.887 3.622 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 175116280 RXWYJUUEOUNLID-CZUORRHYSA-N 359.397 3.632 0 40 FHAB CNC(=S)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 408980376 VZNJZMJLPOEBLM-UHFFFAOYSA-N 372.457 3.670 0 40 FHAB Cc1c(-c2ccccc2)c(=O)oc2cc(OC(=O)N3CCOCC3)ccc12 4340218 WLYJOLRERVTOIN-UHFFFAOYSA-N 365.385 3.599 0 40 FHAB biogenic Oc1cc(C2CCN(Cc3ccsc3)CC2)nc(-c2cccnc2)n1 72392761 BJZBLGLYECYNPV-UHFFFAOYSA-N 352.463 3.685 0 40 FHAB Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(C(=O)c3nccn3C)C2)n1 72356218 PXZWWKGXTQUVEU-FQEVSTJZSA-N 374.488 3.734 0 40 FHAB CC1CCN(Cc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)CC1 38853799 IFNDTPHSAOLJIC-UHFFFAOYSA-N 366.461 3.942 0 40 FHAB O=C(CSCc1ccccc1)NCC1CCN(Cc2ccco2)CC1 38583913 NYZAONRFWUPFCM-UHFFFAOYSA-N 358.507 3.541 0 40 FHAB CSc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)Oc1ccc(C)cc1 31546677 ZHLWXNGETPWGGX-HNNXBMFYSA-N 372.490 3.581 0 40 FHAB O=C(c1cnccn1)N1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 72349189 NXVZTJXZPXIYKU-HNNXBMFYSA-N 362.408 3.698 0 40 FHAB COc1cccc(-c2noc(CN(C)C(=O)c3cccc(Cl)c3)n2)c1 78578940 FKCGPDYEKLERBX-UHFFFAOYSA-N 357.797 3.671 0 40 FHAB CC(C)n1ccc2c(NC(=O)Cc3nn(C)c(=O)c4ccccc34)cccc21 72400486 DWPWOZMZQWNNPZ-UHFFFAOYSA-N 374.444 3.650 0 40 FHAB C[C@@H]1[C@@H](c2ccccc2O)c2cc3c(cc2O[C@@H]1N1CCCC1)OCO3 31861142 JKQJZONEAFJYTO-UBWHGVKJSA-N 353.418 3.703 0 40 FHAB CC1=C[C@@H](CNCc2ccncc2)[C@H](C(C)C)C[C@H]1Cc1nnc(C)o1 35442629 MKZSWWNXODCULS-UFYCRDLUSA-N 354.498 3.960 0 40 FHAB biogenic,in-vitro COC(=O)c1cccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)c1C 38858239 VPMBSICSLWUMOJ-UHFFFAOYSA-N 363.417 3.587 0 40 FHAB O=C(NCCSCc1cccc(Cl)c1)c1ccc2c(c1)OCCO2 225398786 JCTULNMWZZREER-UHFFFAOYSA-N 363.866 3.774 0 40 FHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1C 225011889 CRJMGNVSHZKVQD-RBUKOAKNSA-N 366.505 3.870 0 40 FHAB C[C@H](NCCn1ccc2cc(Cl)ccc21)c1ccc2c(c1)OCC(=O)N2 568660688 NJAJFJBANNOVCA-ZDUSSCGKSA-N 369.852 3.976 0 40 FHAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1ccccc1OC 224441187 XNWYTWJNXQLROM-OAHLLOKOSA-N 363.841 3.701 0 40 FHAB O=C(NC(c1ccccc1)c1ccccc1)N1CCC2(CC1)OCCCO2 75156670 ISIBMDLPMMMCJZ-UHFFFAOYSA-N 366.461 3.715 0 40 FHAB CC(C)(C)c1ccc(C(=O)NCc2cccc(CN3CCOCC3)c2)cc1 224706104 SFZASYYWYITGOP-UHFFFAOYSA-N 366.505 3.746 0 40 FHAB CCOC(=O)c1ccc(NC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1Cl 225323834 BBOZYZMSICDFBG-HFAKWTLXSA-N 352.887 3.992 0 40 FHAB S=C(NCc1ccccc1)Nc1nc(Cl)cc(N2CCCCC2)n1 225929543 YYRXVAJKIAAWTL-UHFFFAOYSA-N 361.902 3.607 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 223637792 GCDCSFDZZVRGFM-LJQANCHMSA-N 366.505 3.708 0 40 FHAB CCOc1ccccc1NC(=O)Cn1ccc(=O)c2cc(Cl)ccc21 225723374 PAHZVCSMKNYAEB-UHFFFAOYSA-N 356.809 3.692 0 40 FHAB CCOc1ccccc1NC(=S)NCc1nc(-c2cccs2)no1 225826730 JZVLWQTZHDRGLD-UHFFFAOYSA-N 360.464 3.683 0 40 FHAB Cc1csc(-c2nc(N3CC[C@@H](O)[C@@H](C)C3)ncc2-c2ccsc2)n1 247939245 FTPOSKNMGDQSTC-XHDPSFHLSA-N 372.519 3.844 0 40 FHAB Fc1cccnc1OCC[C@H]1CCOC12CCN(Cc1ccco1)CC2 247495306 CWYMGKCYBVWHNS-INIZCTEOSA-N 360.429 3.654 0 40 FHAB C[C@H](C(=O)Nc1ccccc1-n1ccnc1)[C@H]1OCCc2sccc21 584876221 DGEYRVVQXCHREN-SCLBCKFNSA-N 353.447 3.822 0 40 FHAB COc1cccc(CCC(=O)N2Cc3ccccc3N(C)C[C@@H]2C)c1F 585081863 PIQAWARVQKTUIG-HNNXBMFYSA-N 356.441 3.634 0 40 FHAB Cc1c[nH]c(-c2cc([C@H]3CCCN(C(=O)c4ccccc4)C3)nc(C)n2)n1 257235132 GWPHRGUBMGRECX-KRWDZBQOSA-N 361.449 3.503 0 40 FHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)s1 260916273 IEWRXRPGSOPLCA-KBRIMQKVSA-N 359.520 3.603 0 40 FHAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)/C(=C/c1cccs1)NC(=O)c1ccccc1 260841208 KPNDTHLCHDTJHF-OTIRQCFUSA-N 366.486 3.824 0 40 FHAB CC(C)c1ccc(-c2nc(C(=O)N[C@H]3C[C@H](C)n4ncnc43)cs2)cc1 617429941 JHMXVEDEARCBRM-WFASDCNBSA-N 367.478 3.961 0 40 FHAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@H](C1CC1)[C@@H]1CCCCO1 654412035 YNLHXLJSMKFDSG-SLFFLAALSA-N 358.482 3.720 0 40 FHAB COc1ccc(-c2cc(CN3CC[C@@H]4[C@@H](CCCN4C4CC4)C3)on2)cc1 676712551 OOVXSWSPUPHUTR-HTAPYJJXSA-N 367.493 3.799 0 40 FHAB Cn1cc(-c2nnc(COc3ccc(C4SCCCS4)cc3)o2)cn1 1328462555 DICQPJLCMJPECO-UHFFFAOYSA-N 374.491 3.918 0 40 FHAB CS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(C3CCCCC3)cc2)CC1 669681218 XCFOQAXQVIJBLU-IBGZPJMESA-N 363.523 3.774 0 40 FHAB CO[C@H](Cn1cnc2c(F)ccc(Br)c2c1=O)C1CCCC1 664102856 RBWMVWIWGUAJHU-CYBMUJFWSA-N 369.234 3.503 0 40 FHAB COc1ccc(OCc2noc(CN[C@@H](c3ccccc3)C3CC3)n2)cc1 32868835 NHGPKGKWDSOAQE-NRFANRHFSA-N 365.433 3.898 0 40 FHAB CC(C)c1ccc(-c2nc(CC(=O)N3CC[C@H](CCN)C3)cs2)cc1 1523019015 OMCFGQLCSNBOQU-HNNXBMFYSA-N 357.523 3.673 0 40 FHAB Cc1nn(C)c2sc(C(=O)N(Cc3ccccc3)C[C@@H]3CCCO3)cc12 56149389 BZEXHAJROASRAA-INIZCTEOSA-N 369.490 3.765 0 40 FHAB CC[C@H](C(=O)Nc1cc(C)on1)N1CCC(C(=O)c2ccc(C)cc2)CC1 54297807 XJYCXPMYPRNPCL-GOSISDBHSA-N 369.465 3.603 0 40 FHAB CN1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)c2ccccc2C1 103410595 ALGSBUDSNNHBCB-UHFFFAOYSA-N 366.852 3.618 0 40 FHAB COc1ccc(Cl)cc1N(C)C(=O)c1cnn(-c2ccccn2)c1C 74607459 YIZDMGZMOQTNNG-UHFFFAOYSA-N 356.813 3.514 0 40 FHAB CCCCCC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 40122387 LXJPJJPQTPPZSB-UHFFFAOYSA-N 357.281 3.858 0 40 FHAB COC(=O)[C@H]1[C@@H]2C=C[C@@H](C2=C(c2ccccc2)c2ccccc2)[C@H]1C(=O)OC 5051889 AZIKIWQXQHLYQD-MTIDIVMFSA-N 374.436 3.883 0 40 FHAB Cc1nnc(SCCCCC(=O)Nc2cccc3ccccc23)[nH]c1=O 5387162 COMOPOHUEPUROD-UHFFFAOYSA-N 368.462 3.528 0 40 FHAB COc1cccc(OCc2nnc(SCC(=O)c3ccccc3)o2)c1 5671132 KNBSSGYBQIFKAS-UHFFFAOYSA-N 356.403 3.632 0 40 FHAB C[C@@H](Oc1cccc2c1CCC2=O)C(=O)Nc1cccc(Br)c1 11100628 ZFJGQOYVLOKCIS-LLVKDONJSA-N 374.234 3.984 0 40 FHAB Nc1nc(COC(=O)c2cccc(O)c2)nc2sc3c(c12)CCCCC3 12486440 QZPHNNRFYKHWHJ-UHFFFAOYSA-N 369.446 3.605 0 40 FHAB COc1ccc([C@H](NC(=O)c2cc3cc(C)ccc3[nH]2)c2nccn2C)cc1 12552453 FWGNCXYKOOTMBS-FQEVSTJZSA-N 374.444 3.738 0 40 FHAB Cc1[nH]c2ccc(C(=O)OCC(=O)N3CC[C@@H]4CCCC[C@H]4C3)cc2c1C 12590339 XAXYFEWMZFDJEM-WMZOPIPTSA-N 368.477 3.980 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)Nc1nc2ccccc2nc1N1CCCC1 12879833 LTGQARIOVMVYCC-OAHLLOKOSA-N 362.433 3.636 0 40 FHAB C[C@H](Cc1ccc2c(c1)OCO2)CN1CCCCC[C@@H]1c1ccn(C)n1 19456851 CUCHGCHVFURNDD-VQIMIIECSA-N 355.482 3.945 0 40 FHAB Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)n1 19572773 IMEBNOZIACDLQJ-MSOLQXFVSA-N 373.472 3.908 0 40 FHAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c1 19683070 ZPAXSMSUYBQUIC-KRWDZBQOSA-N 368.477 3.948 0 40 FHAB CCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c1 6387045 LVFKDYCAFDWDRH-PKNBQFBNSA-N 355.390 3.532 0 40 FHAB O=C1CC[C@@]2(CCCN(Cc3nccs3)CC2)N1Cc1ccc(F)cc1 1565541721 VIHBWSMDFAYGHE-HXUWFJFHSA-N 373.497 3.830 0 40 FHAB Cc1ccc(-c2cnc(SCCNC(=O)Cc3ccccc3)[nH]2)cc1 4315450 PAMQSCBMJBNMRW-UHFFFAOYSA-N 351.475 3.836 0 40 FHAB CCOc1cccc2cc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)oc12 4483736 NKFLSRLGWOGBFO-UHFFFAOYSA-N 364.806 3.678 0 40 FHAB O=S(=O)(NCC1(c2cccs2)CCCC1)c1ccc(F)cc1F 13804499 LYAZFJMOISCWQJ-UHFFFAOYSA-N 357.447 3.817 0 40 FHAB Oc1c([C@H](c2ccco2)N2CCCC2)sc2nc(-c3ccco3)nn12 22852593 OTXMSQHUESLPNB-ZDUSSCGKSA-N 356.407 3.535 0 40 FHAB C[C@@H](Oc1ccccc1F)C(=O)NCCOc1cccc(C(F)(F)F)c1 23142505 OLIVBNOQRXWIML-GFCCVEGCSA-N 371.330 3.807 0 40 FHAB CC(=O)Nc1ccc(CC(=O)NCc2ccnc(-c3cccs3)c2)cc1 225651101 DNVINMIRNXVMOW-UHFFFAOYSA-N 365.458 3.627 0 40 FHAB O=C(NCc1cncc(-c2ccoc2)c1)C1(c2ccccc2)CCOCC1 575620199 KVXPTVZORYUZNS-UHFFFAOYSA-N 362.429 3.706 0 40 FHAB CCC(C)(C)C(=O)Nc1nnc([C@H]2CC(=O)N(c3ccc(C)cc3)C2)s1 20573090 NIKHKAWBLDQEND-ZDUSSCGKSA-N 372.494 3.742 0 40 FHAB C[C@@H](NC(=O)N1CCC[C@H]1c1nnc2n1CCCCC2)c1ccc(F)cc1 40151600 RVLDLYDJZMIHMC-PBHICJAKSA-N 371.460 3.751 0 40 FHAB O=C(NC[C@@H](O)c1ccc(F)c(F)c1)C(c1ccccc1)c1ccccc1 31299914 PJYOWYMNCRQIKR-HXUWFJFHSA-N 367.395 3.947 0 40 FHAB Cc1nn(-c2ccc(O)nn2)c2c1[C@H](c1c(F)cccc1Cl)CC(O)=N2 31821000 JBRYUJHJIHJZTB-SECBINFHSA-N 373.775 3.592 0 40 FHAB COc1ccc([C@H](C)NC(=O)COC(=O)c2ccc(C(C)C)cc2)cc1 51356809 OYNFWCRNTNPTQB-HNNXBMFYSA-N 355.434 3.853 0 40 FHAB O=C(Cc1ccc(Br)cc1)Nc1ccccc1Cn1cccn1 32832870 YNGNQJDEIKSDGG-UHFFFAOYSA-N 370.250 3.875 0 40 FHAB CN(Cc1ccsc1)C(=O)CSc1nnc(NC(C)(C)C)s1 21762613 XAPPLEZICXXFGV-UHFFFAOYSA-N 356.542 3.561 0 40 FHAB Cc1ccc(C)c(C(=O)NC[C@H](NC(=O)c2cc(C)ccc2C)C2CC2)c1 60336706 FERJOSIDLRWUSI-NRFANRHFSA-N 364.489 3.859 0 40 FHAB COc1cccc(C(=O)Nc2nonc2-c2ccc(Br)cc2)c1 11916357 QPJDIPBFVJEMFK-UHFFFAOYSA-N 374.194 3.760 0 40 FHAB O=C(CSc1nncn1-c1ccccc1)Nc1nc2ccccc2s1 2636180 YKNDIZGUVGXCIF-UHFFFAOYSA-N 367.459 3.608 0 40 FHAB CC(C)(CNC(=O)CN(C(=O)OC(C)(C)C)C1CC1)Cc1ccccc1 97166259 JVFOZABFJRCFLR-UHFFFAOYSA-N 360.498 3.771 0 40 FHAB COc1ccc([C@H](OC(=O)c2ccco2)C(=O)NCc2cccs2)cc1 1381061 ZZVSWVCDIHNXMA-KRWDZBQOSA-N 371.414 3.564 0 40 FHAB COc1ccccc1/C=C1\SC(=O)N(CNc2ccc(F)cc2)C1=O 33319951 VUFNWNPAIXEKFT-YBEGLDIGSA-N 358.394 3.940 0 40 FHAB COc1ccc2oc(C(=O)OCC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)c(C)c2c1 4319216 BEFBYNRDFVVVTI-IGCXYCKISA-N 373.449 3.848 0 40 FHAB CCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(C)cc2C)c1 6348882 HKZSMSNJANCDOS-UHFFFAOYSA-N 355.463 3.779 0 40 FHAB CCOc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 6963989 OVZOTUGMELSNGN-XNTDXEJSSA-N 372.808 3.845 0 40 FHAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC(=O)N(Cc2ccccc2)C1 7654594 HQLNXMNBTAREJX-AWEZNQCLSA-N 362.351 3.693 0 40 FHAB C[C@H]1CCC[C@H](C)N1C(=O)c1cccc(C(=O)N2[C@@H](C)CCC[C@H]2C)n1 2750646 KGZIUBMTJHBSHZ-LUKYLMHMSA-N 357.498 3.888 0 40 FHAB Cc1ccccc1OCC(=O)Nc1cccc(CN2CCSCC2)c1C 58085785 URSUGVHDSGDPFQ-UHFFFAOYSA-N 370.518 3.870 0 40 FHAB NC(=O)c1ccccc1NCCOc1ccc(Cl)cc1Br 22804067 JUFGFVIRJVBEOJ-UHFFFAOYSA-N 369.646 3.692 0 40 FHAB Cc1ccc(NC(=O)N2[C@H]3CC[C@H]2CC(NC(=O)c2ccccc2)C3)cc1 100722624 MALZZLMIPMJVAV-PMACEKPBSA-N 363.461 3.952 0 40 FHAB O=C(COc1cccc2ccccc12)Nc1ccc(N2CCCC2=O)cc1 8291465 RDFNSVRVVPNMTM-UHFFFAOYSA-N 360.413 3.984 0 40 FHAB CCCNC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(C)cc2C)n1 8476480 SCGNWDCCELAFMU-UHFFFAOYSA-N 352.413 3.830 0 40 FHAB O=C(COc1ccc(Br)cc1)NCC1(c2ccccc2)CC1 8851501 ARKMJMLCGJVWEH-UHFFFAOYSA-N 360.251 3.676 0 40 FHAB Cc1nc2c(Br)cc(Br)cn2c1Br 940533 CRSIRQVFBIWHQR-UHFFFAOYSA-N 368.854 3.930 0 40 FHAB Cc1cccc(C)c1NC(=O)CSc1nnc(COc2ccccc2)o1 59200419 PSSPJPIRWYIQFM-UHFFFAOYSA-N 369.446 3.996 0 40 FHAB CC1CCN(Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1 22518600 BFNOIVIIQZVFEG-UHFFFAOYSA-N 366.461 3.577 0 40 FHAB O=C(Nc1cccc(Cn2ccnc2)c1)c1csc(-c2ccco2)n1 25179866 WXOFJOORLBRQMT-UHFFFAOYSA-N 350.403 3.900 0 40 FHAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 12551166 KPHXDZLJBZWZNH-KRWDZBQOSA-N 374.444 3.568 0 40 FHAB CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3cc(C)ccc3C)ccc21 12586893 CXANRJWRPKWXMK-HNNXBMFYSA-N 351.450 3.652 0 40 FHAB Cc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCc3ccccc3C2)cc1 20121075 CBUXLBWPDJERIO-HXUWFJFHSA-N 361.493 3.884 0 40 FHAB COc1ccc(C(=O)Nc2cccc(C(=O)c3ccncc3)c2)cc1OC 35325963 OLRKOGBBUXFCJS-UHFFFAOYSA-N 362.385 3.582 0 40 FHAB biogenic,in-vitro CCCN(CC(=O)Nc1ccccc1OC)Cc1nc2ccccc2o1 58016072 GJAZSFUBNWKDOG-UHFFFAOYSA-N 353.422 3.687 0 40 FHAB COc1ccc(N[C@H](C(=O)N2CCCCC2)c2ccccc2)cc1OC 57739455 MUCUYBXDHUHSRH-FQEVSTJZSA-N 354.450 3.870 0 40 FHAB CC[C@H](c1nnnn1C(C)(C)CC)N1CCN(c2cc(C)ccc2C)CC1 57669830 AUYNJSFTFXCDPD-GOSISDBHSA-N 370.545 3.708 0 40 FHAB CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc2c(c1)OCCO2 27975710 NAIHJQLUFAVALY-GOSISDBHSA-N 353.418 3.743 0 40 FHAB O=C(NCCN1CCCc2ccccc21)Nc1nc2ccccc2s1 58378088 JOMLUHLAWUEUDA-UHFFFAOYSA-N 352.463 3.871 0 40 FHAB COc1ccc(CCC(=O)NCc2cc(F)ccc2Br)cc1 55817348 BRRKWQDBXHBBRL-UHFFFAOYSA-N 366.230 3.846 0 40 FHAB O=C(Nc1cccc(C(=O)N2CCC[C@@H]2c2ccsc2)c1)[C@H]1CCCO1 48249361 GXPRVSFFOYTRPZ-QZTJIDSGSA-N 370.474 3.843 0 40 FHAB Cc1ccc(-c2csc(NC(=O)COc3ccccc3C(=O)O)n2)cc1 3329547 BOSYNTSHRITNIT-UHFFFAOYSA-N 368.414 3.834 0 40 FHAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[C@@H]1CC=CCC1 36719235 NJLPBFLCRZQXDT-GFCCVEGCSA-N 354.372 3.637 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)Cc1ccc(Cl)cc1Cl 3312169 MYYJWJZQVGYYBG-ABAIWWIYSA-N 358.265 3.774 0 40 FHAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)c1nc2ccccc2o1 29531145 YAIHYVGGFVABLM-UHFFFAOYSA-N 363.339 3.756 0 40 FHAB CC(=O)N[C@@H](C)c1ccc(C(=O)CSc2nc(C3CCCC3)n[nH]2)cc1 12981368 DNMAGQRAZPPCAC-LBPRGKRZSA-N 372.494 3.634 0 40 FHAB Clc1ccc(-c2nnc3n2N=C(c2ccc4c(c2)OCO4)CS3)cc1 5026016 SFQNUESXGDQMQY-UHFFFAOYSA-N 370.821 3.685 0 40 FHAB COc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)C2CCC2)c1 6176908 GICNLQGXIZXLIQ-UHFFFAOYSA-N 374.462 3.543 0 40 FHAB COc1ccc(-c2noc(Cc3nnc(-c4ccc(F)cc4)o3)n2)cc1 65185496 QBSIVAKDZKMIAX-UHFFFAOYSA-N 352.325 3.525 0 40 FHAB C[C@@H](NC1c2ccccc2-c2ccccc21)c1ccc(S(N)(=O)=O)cc1 13986986 QWEDRIVILCSXJX-CQSZACIVSA-N 364.470 3.755 0 40 FHAB Cc1ccc(CN(C(=O)c2cc3ccccc3oc2=O)c2ccccn2)o1 20897017 KJNIXATXFQAYDR-UHFFFAOYSA-N 360.369 3.936 0 40 FHAB COc1ccccc1-n1cnnc1S[C@H](C)C(=O)c1ccc(F)cc1 6534752 HXLCLXRQNOYTNZ-GFCCVEGCSA-N 357.410 3.779 0 40 FHAB O=c1[nH]c(CSc2nnc(Nc3ccccc3)s2)nc2ccsc12 6619573 SIZHKXIVFYMQOI-UHFFFAOYSA-N 373.488 3.872 0 40 FHAB C[C@@H](Sc1cccc[n+]1[O-])C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 5780176 BJUXXMWNBKVURX-GHMZBOCLSA-N 371.289 3.985 0 40 FHAB COc1cc(SC)ccc1C(=O)OCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 4803396 CSNRVDFVKCIHGP-WOSRLPQWSA-N 365.495 3.515 0 40 FHAB Cc1cc(NC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)no1 67014212 JZAFSWVEKKPLQF-ZDUSSCGKSA-N 356.209 3.895 0 40 FHAB Cn1c(-c2ccccc2F)nn(CN2CCc3ccccc3C2)c1=S 6985905 CMNAWZXXVLBANG-UHFFFAOYSA-N 354.454 3.773 0 40 FHAB Cc1ccc(-n2nnnc2SCc2cn3cc(Cl)ccc3n2)cc1C 6999914 XMMZGXPIANIKOL-UHFFFAOYSA-N 370.869 3.873 0 40 FHAB Cc1ccccc1-c1nnn(CC(=O)Nc2ccc(Cl)c(Cl)c2)n1 7000523 WEDMGILFNYEBER-UHFFFAOYSA-N 362.220 3.594 0 40 FHAB Cc1nc2cc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)ccc2o1 15598681 BVKZPEXYYXYEGM-UHFFFAOYSA-N 353.403 3.823 0 40 FHAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(Br)cc1C 7421713 FAEPCNWOZCWNJQ-UHFFFAOYSA-N 370.268 3.875 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)OCc1cc(F)cc2c1OCOC2 16218470 TWLLYHMJDRPXIR-UHFFFAOYSA-N 355.365 3.850 0 40 FHAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1ccccc1Cl 7908703 RDZNOUYKQSLIQQ-UHFFFAOYSA-N 351.189 3.930 0 40 FHAB COc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1C(C)(C)C 16780368 SJBKDJNPWGMRQE-UHFFFAOYSA-N 358.463 3.888 0 40 FHAB CCN(Cc1ccc(OC)c(F)c1)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 8214210 TXOXQKBGBSAXJC-AWEZNQCLSA-N 372.440 3.886 0 40 FHAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1F 9368640 RLTTXYKYFLBMJH-KUHUBIRLSA-N 356.397 3.580 0 40 FHAB CCN1CCN(c2ccc(NC(=O)CCc3ccccc3F)cc2)CC1 9366748 HCRADJSQOPDTPP-UHFFFAOYSA-N 355.457 3.539 0 40 FHAB CN(C(=O)COc1ccccc1)c1ccccc1C(=O)NC1CCCCC1 8375209 CUXQGTXJSNBMIS-UHFFFAOYSA-N 366.461 3.791 0 40 FHAB CCOc1cccc2cc([C@H](C)NC(=O)CNC(=O)C3CCCCC3)oc12 9498229 HDMVVYIMQGEZSU-AWEZNQCLSA-N 372.465 3.705 0 40 FHAB CCCc1nc(C)sc1C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1 95479011 PKNGICYOMLHCQR-UHFFFAOYSA-N 367.515 3.533 0 40 FHAB FC(F)(F)c1cc(N2CCO[C@@H]3CCCC[C@@H]32)nc(-c2ccncc2)n1 95963898 OGOGESKGGWQKJE-UONOGXRCSA-N 364.371 3.705 0 40 FHAB CC(C)[C@H](O)C(C)(C)CNC(=O)c1ccc(COc2ccccc2F)o1 89791161 YPESFYSFBQIHFV-SFHVURJKSA-N 363.429 3.771 0 40 FHAB CC(C)c1ccc(N)c(C(=O)OCC(=O)N2CCC[C@@H]2c2ccsc2)c1 89893379 KTPMOBXNUXPKSZ-GOSISDBHSA-N 372.490 3.974 0 40 FHAB CCCCCc1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 89953479 YOHHDVGNXBEGBS-UHFFFAOYSA-N 371.481 3.613 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)c1C 42853549 AABVXVZPSIUYEW-KRWDZBQOSA-N 366.461 3.945 0 40 FHAB Cc1nnc2ccc(N3CCC[C@@H](c4cccc(C(F)(F)F)c4)C3)nn12 557682847 URKAOINKSXFFRR-CQSZACIVSA-N 361.371 3.836 0 40 FHAB CCc1nn2c(ncc3c(=O)n(CC)ccc32)c1-c1ccc(Cl)cc1 40397395 RYSPTLFKQXKERW-UHFFFAOYSA-N 352.825 3.947 0 40 FHAB Cc1nn(-c2ccc(O)nn2)c2c1[C@H](c1cc(Cl)ccc1F)CC(O)=N2 31819232 BFBFXVPPVUZIFE-NSHDSACASA-N 373.775 3.592 0 40 FHAB Cc1ccc(-c2noc(Cn3nc(-c4ccccc4)ccc3=O)n2)cc1C 38652040 XUYGPZWOGAURKF-UHFFFAOYSA-N 358.401 3.625 0 40 FHAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(O)cc2O)S1 408808528 MJAZAZWHRHGMOZ-UHFFFAOYSA-N 361.830 3.823 0 40 FHAB C[C@@H]1CN([C@H](C)CNC(=O)/C=C/c2ccc(Cl)cc2Cl)C[C@@H](C)O1 32429815 BHCQBEMURIRTJE-OVMWZURDSA-N 371.308 3.621 0 40 FHAB Cc1cc(C)n2cc(COc3nc(-c4ccccc4Cl)no3)nc2n1 72068258 NBUIRVHSAIRJCX-UHFFFAOYSA-N 355.785 3.629 0 40 FHAB CN(C)[C@@H](CNc1ccccc1S(=O)(=O)C(F)(F)F)c1ccccc1 32809713 IKLXPQYSEVLZLI-HNNXBMFYSA-N 372.412 3.695 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCCc1ccccc1OC 216418556 OMCJSJIDTWQFGI-LJQANCHMSA-N 357.450 3.610 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)Nc1nnc(-c2ccccc2)s1 222628723 IOFNRSQIMAQUSG-LBPRGKRZSA-N 355.419 3.620 0 40 FHAB COCc1cc(C(=O)Nc2ccc(Br)cc2F)ccc1OC 224397704 KFOZPHXDMCHLLP-UHFFFAOYSA-N 368.202 3.996 0 40 FHAB CCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCC)cc1C(=O)OC 225818382 CCXLCSRSXVMZAD-LJQANCHMSA-N 351.443 3.652 0 40 FHAB CC[C@H](NC(=S)Nc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 225723283 JSDCMJZEMHEGSF-INIZCTEOSA-N 366.483 3.667 0 40 FHAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(Cc2ccc(Cl)cc2F)CC1 225576916 IZFVSTLWSVWYOC-ZXYWRSMDSA-N 364.892 3.996 0 40 FHAB COc1cccnc1NC(=S)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 225676720 BTDFLPYBOBHFNN-CQSZACIVSA-N 357.479 3.987 0 40 FHAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)c1 224550342 DEFKUGWFTJQPIB-OALUTQOASA-N 364.474 3.904 0 40 FHAB CCc1ccc(NC(=S)NCc2ccc(CN3CCCC3=O)cc2)cc1 225648538 XFCOUFGVOFQXQL-UHFFFAOYSA-N 367.518 3.858 0 40 FHAB Cc1cc(N2C[C@@H](C)C[C@@H](C)C2)nc(NC(=S)NC2CCCCC2)n1 226009108 QUAYGLFUYSGHSS-OKILXGFUSA-N 361.559 3.886 0 40 FHAB CCc1ccc(CC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 222720262 KEHBSPFEAIESMC-UHFFFAOYSA-N 355.825 3.811 0 40 FHAB O=C(c1ccccc1O)N1CCC[C@H]1c1nc(-c2cccc(F)c2)no1 97102697 ZOZUIBPGNZCNGQ-HNNXBMFYSA-N 353.353 3.559 0 40 FHAB O=C(c1cccc(Cl)c1)N1CCC2(CC1)C[C@@H](Nc1ccccn1)CO2 96221306 ANLZLJIXHYWSQI-QGZVFWFLSA-N 371.868 3.611 0 40 FHAB CCc1ocnc1C(=O)Nc1nc(-c2ccccn2)nc2sccc12 1595911327 LDCPQLKUQREEPI-UHFFFAOYSA-N 351.391 3.556 0 40 FHAB Cn1nc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)cc1C1CC1 330007295 DLLOYWFRGKVEFZ-MRXNPFEDSA-N 350.422 3.806 0 40 FHAB O=C(c1cccc(Cl)c1)N1CC2(C[C@@H](OCc3ccncc3)CS2)C1 247961119 XQLRAAMZAQAVAD-QGZVFWFLSA-N 374.893 3.652 0 40 FHAB O=C(c1cc2ccccc2o1)N1Cc2ccnn2[C@@H](CCOCC2CC2)C1 247801387 FYTXBUFKCVJGKF-SFHVURJKSA-N 365.433 3.643 0 40 FHAB CN(C(=O)c1ccc(NC(=O)CC(C)(C)C2CC2)cc1)C1CCOCC1 585085752 NSEQFJQTFRYDQT-UHFFFAOYSA-N 358.482 3.702 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 260767947 QZMXYQXOUUUCTL-AEFFLSMTSA-N 370.468 3.924 0 40 FHAB O=S(=O)(N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1cccc2scnc12 1654256695 HXHOYVDRMGYOPI-HZPDHXFCSA-N 372.515 3.986 0 40 FHAB O=C(C1CC(c2ccc(F)cc2)C1)N1CC[C@H](OCc2ccccn2)C1 645781585 YRJVYXGSMFZTTM-UHYCVJNDSA-N 354.425 3.532 0 40 FHAB c1ccc2c(c1)NCCC[C@H]2NCC1CCN(Cc2ccncc2)CC1 658163741 AKPWVBMKNZVPRE-JOCHJYFZSA-N 350.510 3.830 0 40 FHAB CCc1cnc(O)c(C(=O)N[C@@H](CC)c2ncc(-c3ccccc3)[nH]2)c1 667113241 GSRLUMGOMQKSKA-INIZCTEOSA-N 350.422 3.621 0 40 FHAB N=[S@]1(=O)CCN(C(=O)c2cccc(-n3cccc3)c2)c2ccccc21 1775996720 FSTANRYEBNCTBJ-VWLOTQADSA-N 351.431 3.543 0 40 FHAB CO[C@@H](CNS(=O)(=O)c1cccc2ccccc12)c1cccc(F)c1 96388491 KIQQALDVMSZUQU-SFHVURJKSA-N 359.422 3.645 0 40 FHAB O=C(Cc1ccc(F)cc1)N1CCc2[nH]nc(-c3cccc(F)c3)c2CC1 585110368 LEOJNWUZWBNEPS-UHFFFAOYSA-N 367.399 3.525 0 40 FHAB CC(C)OC(=O)N1CCC2(CC1)Cc1ccccc1CN(C(C)C)C2=O 585105903 XSXCGVQRSHRGKQ-UHFFFAOYSA-N 358.482 3.607 0 40 FHAB O=C(/C=C/c1ccccc1)N1CCC[C@@](O)(COc2ccccc2)CC1 1615075886 HUJXGPXLHBPYOK-GNNUASRNSA-N 351.446 3.522 0 40 FHAB CC(C)[C@@H](C)NC(=O)COC(=O)c1cc2c(s1)-c1ccccc1OC2 5304459 KXHDFRXMVXNEGL-GFCCVEGCSA-N 359.447 3.625 0 40 FHAB O=C(Cc1c(F)cccc1Cl)NCCc1ccc(OC(F)F)cc1 5296083 YSPIDDCZZLLXRE-UHFFFAOYSA-N 357.759 3.982 0 40 FHAB CC[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)n1cnc2ccccc2c1=O 5323155 XJGBCOBWHQBGSC-INIZCTEOSA-N 371.824 3.648 0 40 FHAB Cc1ccc([C@@H](CC(=O)O)NC(=O)c2ccccc2Br)cc1 5600978 TUAGJNHFYGZYTG-OAHLLOKOSA-N 362.223 3.703 0 40 FHAB C[C@H](NC(=O)C1CCN(c2nc3ccccc3n2C)CC1)c1ccccc1 12116343 FNIHXDXUCBCEBP-INIZCTEOSA-N 362.477 3.667 0 40 FHAB CCC[C@@H](NC(=O)[C@]1(C)CC(=O)N=C2C=C(C)C=CN21)c1cccs1 12200182 MMDNPXAGESMVBY-KUHUBIRLSA-N 357.479 3.569 0 40 FHAB Cc1ccn2c(=O)c(NC(=O)Nc3ccc(C)c(Cl)c3)c(C)nc2c1 13707712 NNHXEUIWXVXXCM-UHFFFAOYSA-N 356.813 3.917 0 40 FHAB Brc1cccc(CSc2nnnn2Cc2ccccc2)c1 16447848 CMJHJSCUYFQESZ-UHFFFAOYSA-N 361.268 3.776 0 40 FHAB Fc1ccc(CN2CCO[C@H](c3nccnc3-c3cccc(F)c3)C2)cc1 19693179 HRCYLCIGJFNMMW-IBGZPJMESA-N 367.399 3.995 0 40 FHAB CCc1c(C(=O)Nc2cccc(C)c2)nnn1-c1ccc(OC(F)F)cc1 19911185 RATWDSKEECBAGP-UHFFFAOYSA-N 372.375 3.992 0 40 FHAB FC(F)(F)c1cc(N2CCC(COc3ccncc3Cl)CC2)ncn1 1889103114 QWMWFUIFNFEIML-UHFFFAOYSA-N 372.778 3.839 0 40 FHAB Cc1nc(N2CCN(c3ccccc3O)CC2)c2c3c(sc2n1)CCC3 15208118 DEUXKEFTPHINQC-UHFFFAOYSA-N 366.490 3.521 0 40 FHAB CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](Nc1ccc(F)cc1)CO2 257270837 MVVYIQACWCUDGV-INIZCTEOSA-N 350.434 3.796 0 40 FHAB Cc1ccc(CN2C(=O)CC[C@@]23CCCN(Cc2ccncc2)CC3)cc1 1565541641 KPNIZORVLAEIBW-HSZRJFAPSA-N 363.505 3.937 0 40 FHAB CCOC(=O)c1c(NC(=O)C(C)C)sc2c1CC(C)(C)NC2(C)C 4275298 LGPPWXYMJIEIGX-UHFFFAOYSA-N 352.500 3.679 0 40 FHAB COc1ccc(C)cc1NC(=O)c1ccc(=O)n(Cc2ccc(F)cc2)c1 7573918 PLGKBRJMZJIFLB-UHFFFAOYSA-N 366.392 3.605 0 40 FHAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c3ncsc23)cc1 7599066 VXJHYMJUNUDLFV-UHFFFAOYSA-N 366.851 3.606 0 40 FHAB CC(C)C(=O)N1CCCc2ccc(NC(=O)NCCc3ccccc3)cc21 22502790 CRMWLPSCWXBPIM-UHFFFAOYSA-N 365.477 3.986 0 40 FHAB CCc1ccc(S(=O)(=O)NCCOc2cccc(C(F)(F)F)c2)cc1 23143569 GJCLNINUKYQXTG-UHFFFAOYSA-N 373.396 3.625 0 40 FHAB C[C@H](Cc1csc2ccccc12)NC(=O)Cn1c(=O)oc2ccccc21 575622477 ZCZSXBVLTGZQGZ-CYBMUJFWSA-N 366.442 3.557 0 40 FHAB Cc1ccsc1[C@@H](O)CNC(=O)C(C)(C)Oc1ccc(Cl)cc1 75155253 ORFVJJSTDWYSKQ-AWEZNQCLSA-N 353.871 3.717 0 40 FHAB Cc1ccc(CCC(=O)NCCNc2ccc(C(F)(F)F)cn2)cc1 40080773 UOIVKPKWSDDLTF-UHFFFAOYSA-N 351.372 3.570 0 40 FHAB CCCN(CC(=O)NC(=O)NCC)[C@@H](C)c1ccc(Cl)c(Cl)c1 40151437 KWAWJQZPNMVHEB-NSHDSACASA-N 360.285 3.612 0 40 FHAB CCOc1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3nnnn32)cc1 101088954 WSRFQQVBQCEYHZ-QGZVFWFLSA-N 353.813 3.781 0 40 FHAB O=C(Cc1cn2ccccc2n1)Nc1cccc(C2SCCS2)c1 32413896 SFTLRIFDTRLKQT-UHFFFAOYSA-N 355.488 3.994 0 40 FHAB COc1ccccc1NC(=O)[C@H](C)N1CC=C(c2ccc(O)cc2)CC1 32851108 FGTHAJYVNUJOCH-HNNXBMFYSA-N 352.434 3.517 0 40 FHAB COc1ccc([C@H]2C3=C(O)C[C@@H](c4ccco4)CC3=Nc3ncnn32)cc1 102676158 UGRPTGZPIGUTPB-DJJJIMSYSA-N 362.389 3.945 0 40 FHAB COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)c1 641264 PAAJMTDERDYBJK-IBGZPJMESA-N 365.433 3.579 0 40 FHAB C[C@@H]1CCCN(C(=O)CSc2ncnc3sc4c(c23)CCCC4)C1 886404 XKJDXKXRGKDFGC-GFCCVEGCSA-N 361.536 3.921 0 40 FHAB CC[C@H](C)N1C(=O)c2ccc(C(=O)OCc3ccc(F)cc3)cc2C1=O 1790925 CMPRQOSNSSVRHK-LBPRGKRZSA-N 355.365 3.577 0 40 FHAB CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccc(OC)cc3)cc12 2271719 RYMKNFNUAIVMRT-UHFFFAOYSA-N 367.401 3.891 0 40 FHAB Cc1cccc(C(=O)c2ccc(CN3CCC4(CC3)OCCO4)cc2)c1C 2514734 BLQADPMAUMHJSV-UHFFFAOYSA-N 365.473 3.873 0 40 FHAB CCOc1ccc(C(C)=O)cc1CSc1nnnn1-c1ccccc1 2619615 HTXHSNNIXYVKCS-UHFFFAOYSA-N 354.435 3.556 0 40 FHAB COc1ccc(S(=O)(=O)Oc2cc(C)c(Cl)c(C)c2)cc1OC 2697005 GTUSEOITQLNDQL-UHFFFAOYSA-N 356.827 3.742 0 40 FHAB CCOc1ccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCCCC3)cc1 2966487 MPEBCBPXJWNSLX-JOCHJYFZSA-N 351.470 3.736 0 40 FHAB COc1ccc(NCN2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)cc1 3032674 RCWZHVBQQMVOMA-YBEGLDIGSA-N 358.394 3.940 0 40 FHAB CCCNC(=O)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 3038163 VNZIIRPTVGTZIO-UHFFFAOYSA-N 366.318 3.694 0 40 FHAB CCOC(=O)c1c(NC(=O)c2cc(=O)c3ccccc3o2)sc(C)c1C 3214242 WWWSCYGITJIJRT-UHFFFAOYSA-N 371.414 3.900 0 40 FHAB CC(C)(C)C(=O)N(CCN1C(=O)c2ccccc2C1=O)c1cccc(F)c1 3224990 GLIISMZGSAULBN-UHFFFAOYSA-N 368.408 3.501 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 3282246 SNHBPCANPSYFND-JKSUJKDBSA-N 369.417 3.535 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)CN1C(=O)NC2(CCCCCC2)C1=O 3592902 OQESAVFKLXSOMS-UHFFFAOYSA-N 371.481 3.702 0 40 FHAB Cc1ccc(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1C 4286784 SPXZEYPPZGSKST-UHFFFAOYSA-N 350.418 3.899 0 40 FHAB Cc1nc(NCCNC(=O)c2cccs2)c2c3c(sc2n1)CCCC3 4848562 VJKJBPYBZCNXDO-UHFFFAOYSA-N 372.519 3.782 0 40 FHAB CC1(C)[C@@H]2CC[C@@]1(C)c1nc(S[C@@H]3Cc4ccccc4C3=O)nnc12 5060029 XVEIPILUCCXLNH-JZKQVHKSSA-N 351.475 3.946 0 40 FHAB CCOC(=O)CSc1nc(-c2cccc(C)c2)nc2c1COC(C)(C)C2 5324345 QBFHOQLZGGMZSS-UHFFFAOYSA-N 372.490 3.959 0 40 FHAB Cc1ccc(NC(=O)COc2ccccc2F)cc1N1CCCCC1=O 5441840 OVHASEBFRMFVDK-UHFFFAOYSA-N 356.397 3.669 0 40 FHAB CCC(C)(C)NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 5467049 MRWVRXVPXQAPTM-UHFFFAOYSA-N 352.434 3.521 0 40 FHAB Cc1ccc(Nc2nnc(SCC(=O)N3CCC[C@H](C)C3)s2)cc1 6784928 LUYKEKXOELMRMT-ZDUSSCGKSA-N 362.524 3.941 0 40 FHAB Cc1cc(C)n2nc(SCc3nc(-c4cccc(Cl)c4)no3)nc2n1 7083077 VNFUOEXLVZLSAP-UHFFFAOYSA-N 372.841 3.737 0 40 FHAB COc1ccc(CNC(=O)[C@H](C)N(C)Cc2c(F)cccc2Cl)cc1 7357381 XUABPJBKUXAJFH-ZDUSSCGKSA-N 364.848 3.624 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)N2CCN(c3ccccc3F)CC2)c(C)c1 7495427 TZPDIVAEGJQPDE-KRWDZBQOSA-N 356.441 3.559 0 40 FHAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2cccnc2)cc1 7499632 VNHBQDAEDORKGN-UHFFFAOYSA-N 369.424 3.809 0 40 FHAB C[C@@H]1CCCN(C(=O)COC(=O)/C=C/c2ccc(C(F)(F)F)cc2)C1 7981391 FROGBGFCNJRGND-YSKGHYERSA-N 355.356 3.520 0 40 FHAB CCN(CC(=O)NCc1cccs1)c1ncnc2sc(C)c(C)c12 7984712 LXFUSZJZCFSPTH-UHFFFAOYSA-N 360.508 3.512 0 40 FHAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3ccccc3)nc2C)no1 8329123 NIFGPUMHRNOUGG-AWEZNQCLSA-N 365.389 3.537 0 40 FHAB CCOc1ccccc1-c1nn2c(COc3ccc(F)cc3)nnc2s1 8393361 ZAQWSFQUAWEINZ-UHFFFAOYSA-N 370.409 3.970 0 40 FHAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1n[nH]c(=O)n1C1CC1 8503895 JZCJXTYKDYTPRF-NWDGAFQWSA-N 360.483 3.539 0 40 FHAB COc1cc(CNC[C@@H](C)O)cc(Cl)c1OCc1ccccc1F 8535057 USVHUUKTZAFCRJ-GFCCVEGCSA-N 353.821 3.537 0 40 FHAB CC(=O)Nc1ccc(-c2csc(NC(=O)CCc3ccco3)n2)cc1 9483066 MDTVHNRUXZSNED-UHFFFAOYSA-N 355.419 3.933 0 40 FHAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccccc1Br 9499307 PFVMSPVRVSLYNM-UHFFFAOYSA-N 362.223 3.842 0 40 FHAB Cc1occc1-c1nnc(S[C@H]2C[C@@H](C)OC2=O)n1Cc1ccccc1 9722128 MVVRBMGUJZZIMK-WBMJQRKESA-N 369.446 3.691 0 40 FHAB CCCC1(CCC)NC(=O)N(Cc2ccc(Br)cc2F)C1=O 9884416 LENQOFLAKYEDIL-UHFFFAOYSA-N 371.250 3.979 0 40 FHAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCCC(C)C 10314738 NBBSBUHJDOCBCX-UHFFFAOYSA-N 360.479 3.572 0 40 FHAB Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)on1 12118437 SBXHAEDPLWNDJP-JKSUJKDBSA-N 352.438 3.502 0 40 FHAB COc1cn(-c2ccc(F)cc2)nc1C(=O)N1c2ccccc2C[C@@H]1C 12444020 CEKIDFHCWLATOA-ZDUSSCGKSA-N 351.381 3.611 0 40 FHAB O=C(CSc1ccncc1)Nc1cccc(NC(=O)c2ccco2)c1 12537418 GMQRWNKLEPMBCF-UHFFFAOYSA-N 353.403 3.658 0 40 FHAB C[C@H]1CN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C[C@@H](C)O1 12620623 UEVNVTKJGAJMNL-DTORHVGOSA-N 351.661 3.695 0 40 FHAB Cc1cc(C(=O)Nc2cc3c(cc2Br)OCCO3)c(C)o1 12621999 YQWVWUYWZMSRDJ-UHFFFAOYSA-N 352.184 3.682 0 40 FHAB COC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@@H]1c1ccccc1C(F)(F)F 12771011 LHTXATZHLOQOBF-OAHLLOKOSA-N 370.371 3.875 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)Cc1csc(-c2ccccn2)n1 14109395 JRXPLTXJOCNEKF-CYBMUJFWSA-N 353.447 3.634 0 40 FHAB COc1ccc(OCCC(=O)NCC2(N3CCCCC3)CCCCC2)cc1 14121297 SVOZPFZQFSQSGQ-UHFFFAOYSA-N 374.525 3.769 0 40 FHAB CCN1CCC(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)CC1 14523646 BKWJILMKIWJGMX-UHFFFAOYSA-N 360.461 3.511 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@@H]2CCSc3ccc(F)cc32)c(C)c1 15359966 SHEUISCFDRDROP-OAHLLOKOSA-N 351.468 3.958 0 40 FHAB N#CCN(C(=O)COC(=O)c1ccc2c3c(cccc13)CC2)c1ccccc1 15518794 SMBXBESQFWNLEP-UHFFFAOYSA-N 370.408 3.652 0 40 FHAB CCC(=O)c1ccc(OCC(=O)NCCCOc2cccc(C)c2)cc1 16277663 SLOGGSPMPOEYIK-UHFFFAOYSA-N 355.434 3.552 0 40 FHAB C[C@@H]1CCc2c(C(=O)N3CCN(Cc4ccccc4)CC3)csc2C1 17357837 WVDAGBHSSYFZPD-MRXNPFEDSA-N 354.519 3.831 0 40 FHAB CC(C)CN1CCC[C@@H]([C@@H](NC(=O)c2cccs2)c2ccccn2)C1 19447183 KRKJPDTVPQGZFJ-VQIMIIECSA-N 357.523 3.982 0 40 FHAB CC(C)Cc1cc(C(=O)N[C@@H](c2ccncc2)c2cccs2)n(C)n1 19447455 BACSAEXERKMCCE-SFHVURJKSA-N 354.479 3.595 0 40 FHAB Cc1noc(C)c1C(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C 19580081 HYAJPSARFFFBNC-SFHLNBCPSA-N 367.493 3.774 0 40 FHAB Cc1ccc(C(=O)N2CCC(CCN(C)C)CC2)cc1N1CCCCC1 19714048 AVSNGPGUIOQWFU-UHFFFAOYSA-N 357.542 3.789 0 40 FHAB Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3C)n1 19716889 SKSMYWOYIXABHE-NSHDSACASA-N 365.359 3.605 0 40 FHAB CC(=O)N[C@@H](CC(=O)N[C@H](c1cccs1)C(C)C)c1cccs1 21467106 BKCNKQBTWCHWHP-GUYCJALGSA-N 350.509 3.890 0 40 FHAB COc1ccc(CN2CCN(c3ncc(Cl)cc3Cl)CC2)cc1F 23718691 HKNMVPQBXXQRHL-UHFFFAOYSA-N 370.255 3.858 0 40 FHAB O=C(NCCSc1ccccc1)c1ccc(OC[C@@H]2CCCO2)cc1 23956569 LXLMYNOSTQWYOM-SFHVURJKSA-N 357.475 3.767 0 40 FHAB CN(CCNC(=O)c1ccc(COc2ccc(F)cc2)o1)c1ccccc1 24241792 PGFBSXMZSTVBEX-UHFFFAOYSA-N 368.408 3.864 0 40 FHAB O=C(N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1)c1ccc(O)nn1 24277442 CFCTUCCXLYIHBX-IBGZPJMESA-N 365.458 3.642 0 40 FHAB Cc1cc(C)cc(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)c1 24529266 WIWGGRMSKPRQLJ-UHFFFAOYSA-N 365.502 3.871 0 40 FHAB COC(=O)c1sccc1NC(=O)N1CCC([C@@H](O)c2ccccc2)CC1 25228701 IEMVEAWZHMSTNE-INIZCTEOSA-N 374.462 3.512 0 40 FHAB Cc1cc(CN2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)no1 26463532 MWXAKCUXYAOBQR-OAHLLOKOSA-N 354.237 3.893 0 40 FHAB Cc1noc(C)c1CN1CCN([C@H](C)c2nc3ccccc3s2)CC1 26887659 KCQTYMACTOZKCK-CQSZACIVSA-N 356.495 3.780 0 40 FHAB COc1ccc(C(C)=O)c(O[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1 28632412 YVEWAMLBQICNRA-UKRRQHHQSA-N 353.418 3.643 0 40 FHAB Cc1cc(C)n(CCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)n1 29639595 AJMUVPWNAVRROK-UHFFFAOYSA-N 355.438 3.960 0 40 FHAB C[C@H](NC(=O)Nc1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1 32994789 JHMYYXLBJDTERZ-LBPRGKRZSA-N 365.355 3.532 0 40 FHAB Cc1ccccc1C(=O)NC1CCN(C(=S)Nc2ccccc2)CC1 35291897 MYLXPKQPYLBOPN-UHFFFAOYSA-N 353.491 3.586 0 40 FHAB O=C(Nc1ccccc1Cn1cccn1)c1cccc(Br)c1 36392210 RHEHEKNTYMUKSX-UHFFFAOYSA-N 356.223 3.946 0 40 FHAB CCN1CC[C@@H](CCc2ccc(NC(=O)c3cnccn3)cc2)[C@H](C)C1 36734966 HSZPDAJYRIMOHM-SJLPKXTDSA-N 352.482 3.639 0 40 FHAB O=C(c1ccccc1)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 38903533 YWKLVEJQNIVPOY-UHFFFAOYSA-N 351.381 3.896 0 40 FHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C)C[C@@H]1c1ccccc1 40007803 SFCJVNYNTUTFHK-DNVCBOLYSA-N 358.869 3.623 0 40 FHAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)N1CCc2ccccc21 41184920 QCDCQZKHRKOCTJ-UHFFFAOYSA-N 353.809 3.912 0 40 FHAB C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 42646018 VMEWKISLYICEFR-NSHDSACASA-N 351.233 3.852 0 40 FHAB CCOC(=O)c1ccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc1 43224397 XCKCQDNUCODYMU-UHFFFAOYSA-N 366.414 3.935 0 40 FHAB Cc1cc(C)c(NC(=O)COc2cc(C)nc(N3CCCCC3)n2)c(C)c1 44168215 KGEMVRRVYBFSKK-UHFFFAOYSA-N 368.481 3.718 0 40 FHAB O=C(COC1CCCCC1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 44280301 ZINWEYYSAASCCS-UHFFFAOYSA-N 368.481 3.959 0 40 FHAB Cc1nnnn1-c1cccc(NC(=O)N[C@H](C)c2cccc(Cl)c2)c1 45689582 HDWDMUQWSXSYSU-LLVKDONJSA-N 356.817 3.507 0 40 FHAB Cc1nn(C)c2ncc(NC(=O)NCCCSc3ccc(F)cc3)cc12 48095346 FWXRZWDSVBEEJF-UHFFFAOYSA-N 373.457 3.720 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)CN(Cc2ccco2)C2CCCC2)c1C 48275848 LZQXNHUGMCVUPU-UHFFFAOYSA-N 358.438 3.639 0 40 FHAB Cc1ccc(F)cc1NC(=O)CN1C(=O)COc2cc(C(C)(C)C)ccc21 51316220 XJBJPSBREKCFJI-UHFFFAOYSA-N 370.424 3.796 0 40 FHAB FC(F)(F)c1cccc(CN2CCC(CCN3CCOCC3)CC2)c1 60242056 QITVNKVYSPGMNY-UHFFFAOYSA-N 356.432 3.640 0 40 FHAB CSc1nnc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)s1 67652512 QEBJTITWQQUXEJ-UHFFFAOYSA-N 355.901 3.991 0 40 FHAB CC[C@@H]1CN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CCS1 72303598 MBIVRPPXZYUALT-GOSISDBHSA-N 354.475 3.907 0 40 FHAB Clc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3cccnc3)n2)s1 72321983 PCUVXYSAIGWIKJ-AWEZNQCLSA-N 360.870 3.760 0 40 FHAB biogenic,in-vitro O=C(c1cc[nH]n1)N1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 72349774 CORLVPNVEGFBRJ-HNNXBMFYSA-N 350.397 3.631 0 40 FHAB OC(CN1CCN(c2ccccc2)CC1)(c1ccccc1)c1ccccc1 75280189 CLKJAYALTKZAQR-UHFFFAOYSA-N 358.485 3.745 0 40 FHAB C[C@H](c1ccccc1)N(CC(N)=O)C(=O)Cc1ccc(Cl)cc1Cl 79099523 FHVPMWUQIJXIER-GFCCVEGCSA-N 365.260 3.611 0 40 FHAB CCc1nc(CN(C)C(=O)N[C@H]2CCCOc3ccc(F)cc32)cs1 83830292 PXBMSCRJUQELSC-HNNXBMFYSA-N 363.458 3.900 0 40 FHAB C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1ccccc1N1CCCCCC1 84098348 BMSPFSCZPVWOJB-QZTJIDSGSA-N 360.498 3.980 0 40 FHAB O=C(NC1(c2cccc(Br)c2)CCOCC1)[C@@H]1C[C@@H]1C1CC1 84363419 LEKPYSIDTQNNEY-HZPDHXFCSA-N 364.283 3.617 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC(CSc3ccccn3)CC2)cc1 85557686 LJXGZWLLDLDQIW-UHFFFAOYSA-N 362.520 3.583 0 40 FHAB O=C(CCCc1ccccn1)NC1(c2ccc(F)cc2F)CCOCC1 89855990 ZODYTEWFCBVFGE-UHFFFAOYSA-N 360.404 3.505 0 40 FHAB Cc1sc2nc(CN3CCc4ccc(Cl)cc4C3)[nH]c(=O)c2c1C 90614618 WNZFMSQZFXWDNX-UHFFFAOYSA-N 359.882 3.813 0 40 FHAB O=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N1C[C@@H]2CCCCC[C@@H]21 95409225 OUUWMXBDCMQJKW-LPHOPBHVSA-N 361.507 3.808 0 40 FHAB Cc1cc(C)nc(Nc2ccc(C(=O)N[C@H]3CCOC(C)(C)C3)cc2)n1 95473545 OHSLTKOKBIKMBR-KRWDZBQOSA-N 354.454 3.524 0 40 FHAB CCOc1ccc([C@@H](N)c2n[nH]c(-c3ccc(Cl)cc3)n2)cc1OCC 95534527 HMMBYFHUOKQYRK-QGZVFWFLSA-N 372.856 3.971 0 40 FHAB CCCOc1ccc(/C=C2/N=C(c3ccc(OC)c(OC)c3)OC2=O)cc1 96634962 HBIIPPDBTSHANM-SFQUDFHCSA-N 367.401 3.837 0 40 FHAB CN1c2cc(C(=O)Nc3cccc(Cl)c3)ccc2C(=O)N2CCCC[C@@H]21 97139393 WAWSIOAZUWEPEW-GOSISDBHSA-N 369.852 3.994 0 40 FHAB CNC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)o1 98068504 QMYKERUJBCYWLZ-LLVKDONJSA-N 365.524 3.787 0 40 FHAB CCc1nn2c(O)cc(CCCn3ccnc3C)nc2c1-c1ccccc1 100733105 MTVVGHHMBHPYEA-UHFFFAOYSA-N 361.449 3.802 0 40 FHAB CCCCCOC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 100743384 UXYUROSYYKWISY-USJZOSNVSA-N 355.434 3.569 0 40 FHAB C[C@@H](NC(=O)C1CCCC1)c1cc(O)n2nc(-c3cccs3)cc2n1 100769332 ITUQUHDSAYTQDF-LLVKDONJSA-N 356.451 3.531 0 40 FHAB CC1(C)CC2=Nc3nonc3N[C@H](c3cccc4nccnc34)C2=C(O)C1 102740448 RYIHDONODUOORI-MRXNPFEDSA-N 362.393 3.884 0 40 FHAB CN(C)[C@@H](CNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)c1c(F)cccc1Cl 110515801 RADUOTONZMWTEX-RKLWJJNISA-N 369.937 3.735 0 40 FHAB O=S(=O)(c1ccc(F)c(F)c1)N1CCS[C@@H](c2ccccc2)CC1 208044848 WPDLTVZTVBRLJZ-QGZVFWFLSA-N 369.458 3.834 0 40 FHAB Cc1ccccc1COc1ccc(CO)cc1I 216810501 FILLVVLRHYAOLB-UHFFFAOYSA-N 354.187 3.671 0 40 FHAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H](C)COc1ccccc1C 219564169 RVPXAGUBOLHVED-IRXDYDNUSA-N 357.450 3.745 0 40 FHAB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)Nc1cccc(Cl)c1Cl 223317331 FDXQEZFNCFUGHQ-UHFFFAOYSA-N 373.217 3.537 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 223729599 YQTVPZPBRYQCEO-INIZCTEOSA-N 372.896 3.826 0 40 FHAB Cn1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 224415557 PBVVOONYCOENJN-MSOLQXFVSA-N 352.438 3.736 0 40 FHAB Cc1ccc(CN2CCC(C(=O)NCCOc3cccc(C)c3)CC2)cc1 224530622 CZZABXXPUFGWEE-UHFFFAOYSA-N 366.505 3.711 0 40 FHAB Cc1ccc(N2N[C@@](C)(c3cccc(Br)c3)NC2=S)cc1 225342719 AYDFEQVSWBLULV-INIZCTEOSA-N 362.296 3.830 0 40 FHAB Cc1ccc(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 225695683 ANRGHAXPQYYZCK-LJQANCHMSA-N 366.505 3.522 0 40 FHAB CCCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCC2)n1 225884889 OJFSYEXNINZCQP-UHFFFAOYSA-N 357.483 3.566 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cc3cccc(Cl)c3oc2=O)c1 226039896 LAFABAQGTXPGJB-UHFFFAOYSA-N 359.765 3.716 0 40 FHAB COc1ccc2cc(C(=O)N[C@H](C)CCc3ccccc3)c(=O)oc2c1 226043492 LIVAFRHLWUROSR-CQSZACIVSA-N 351.402 3.553 0 40 FHAB COc1c(Cl)cc(C(=O)Nc2ccc(N(C)C)c(N)c2)cc1Cl 226268682 KORNHDGCHRUIRO-UHFFFAOYSA-N 354.237 3.903 0 40 FHAB COC1(CNC(=O)Cc2ccc(SC(C)C)cc2)CCSCC1 240067975 SGBCBOBCVCCSFH-UHFFFAOYSA-N 353.553 3.758 0 40 FHAB CCc1nccn1-c1ccnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 257302825 SEQJYHHNCFODLO-OAHLLOKOSA-N 356.470 3.944 0 40 FHAB Cc1noc(C)c1-c1cncc([C@@H]2CCCN2Cc2nccn2C(C)C)n1 257337769 YUHBERTYGQTZIS-SFHVURJKSA-N 366.469 3.863 0 40 FHAB CN1[C@@H]2CN(C(=O)c3cc(-c4ccccc4F)no3)[C@@H]3CCC[C@H]1[C@]3(C)C2 257340469 ZGHAKWYBOFNGPT-KZCJGOGDSA-N 369.440 3.568 0 40 FHAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)CC1 408706024 SXHORPSAHZCQRF-CQSZACIVSA-N 367.873 3.526 0 40 FHAB CCN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)NC1=S 409004864 BVWGKSBHAKIAOQ-PDGQHHTCSA-N 361.470 3.767 0 40 FHAB COc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)oc2=S)cc1 409169081 PNONCUZGMRHUQI-UHFFFAOYSA-N 355.419 3.828 0 40 FHAB C[C@@H]1[C@H](C(=O)O)CCN1Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 565109253 DKDGEKWUUUDSNV-QMTHXVAHSA-N 354.328 3.655 0 40 FHAB O=C(COc1ccc2ccccc2c1)N1CCC[C@H](Oc2ccncc2)C1 575614066 VXTUYQTYKUBRLB-NRFANRHFSA-N 362.429 3.684 0 40 FHAB Cc1cc(C)n([C@@H](CNC(=O)CSc2ccc(F)cc2)c2ccco2)n1 585368495 YCIPJIHKSXUWKT-KRWDZBQOSA-N 373.453 3.730 0 40 FHAB CC[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)CCO1 624228552 VHDSQZAHFACBQE-OWCLPIDISA-N 352.425 3.811 0 40 FHAB Cc1cccc(C(=O)N[C@@]2(C)CCN(C(=O)c3cccc(C)c3C)C2)c1C 647730264 NTCNZNGRYZZXHX-QHCPKHFHSA-N 364.489 3.955 0 40 FHAB O=C(O)c1ccc(OCCN2CCC[C@H]([C@H]3CCCCO3)C2)c(Cl)c1 656767572 HHVWXBKHEIMCGF-DOTOQJQBSA-N 367.873 3.698 0 40 FHAB C[C@@H](c1ccccc1)N1C(=O)C[C@H]2[C@@H]1CCN2Cc1cccc(F)c1F 1565552053 NZSBVHYWLZANIB-JVPBZIDWSA-N 356.416 3.901 0 40 FHAB CN1CCC(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)CC1 1615130452 YNOGQGQYQFCMEC-QFIPXVFZSA-N 373.516 3.517 0 40 FHAB CCOc1ccc(C(=O)N2CCC[C@H](COc3cccc(C)n3)C2)cc1 1775969249 GCDURFJQLCWFAX-KRWDZBQOSA-N 354.450 3.720 0 40 FHAB FC(F)(F)c1ccc(CN2CCC[C@@H](COc3cnccn3)C2)cc1 2298206645 SXABIFFBYFHYFR-OAHLLOKOSA-N 351.372 3.786 0 40 FHAB Cc1cc(O[C@H](C)C(=O)Nc2sc(C)c(C)c2C(N)=O)ccc1Cl 879612 GYPLIRLAQQSSKO-SNVBAGLBSA-N 366.870 3.832 0 40 FHAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1CCc2ccccc21 922334 QNJNYZKTPXNKOT-UHFFFAOYSA-N 355.394 3.557 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc(F)cc2)o1 922337 KEPADJXVQFKLBL-GFCCVEGCSA-N 369.421 3.946 0 40 FHAB COc1cccc(C2=C[C@H](c3ccc(OC)c(OC)c3)N=C(S)N2)c1 2483427 LSDJODVUYPZIIG-MRXNPFEDSA-N 356.447 3.684 0 40 FHAB Cc1cccc(C)c1Nc1nnc(SCC(=O)NCc2ccco2)s1 2664535 RQYOSMCNKDGMJY-UHFFFAOYSA-N 374.491 3.900 0 40 FHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)c2ccc(F)cc2)c(C)c1 3310020 IHZKUKIBAXQSAI-UHFFFAOYSA-N 357.381 3.587 0 40 FHAB CN(C)[C@@H](CNC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1ccccc1 3459400 UZOVFPGEJIQBFP-QFIPXVFZSA-N 372.468 3.950 0 40 FHAB CCOc1ccccc1Nc1nnc(SCC(=O)NCC(C)C)s1 3470081 GNFIAVXJVBEUGG-UHFFFAOYSA-N 366.512 3.545 0 40 FHAB O=C(CSc1nnc(-c2cccs2)o1)Nc1ccc(F)c(F)c1 3475061 BQIPXNGLAJTHIV-UHFFFAOYSA-N 353.375 3.807 0 40 FHAB C[C@H]1C[C@H](C)CN(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)C1 3519973 AHRAIZLXNVXZRG-STQMWFEESA-N 370.478 3.815 0 40 FHAB Cc1noc(C)c1C(=O)Nc1nnc(SCc2ccccc2F)s1 3533587 KWOKXPQWEMEEJZ-UHFFFAOYSA-N 364.427 3.827 0 40 FHAB CCCCN1C(=O)c2ccc(C(=O)Nc3ccccc3CC)cc2C1=O 3557604 FUQSYYVRQRWQMY-UHFFFAOYSA-N 350.418 3.897 0 40 FHAB Cc1cc(C)cc(C(=O)NCCn2cc(SC(=N)N)c3ccccc32)c1 3866100 NGDCINRNFUYTOU-UHFFFAOYSA-N 366.490 3.674 0 40 FHAB Cc1ccccc1-n1cnnc1SCC(=O)Nc1cccc(C)c1C 4510270 QKDMMIDDZHNWKB-UHFFFAOYSA-N 352.463 3.923 0 40 FHAB CC[C@H](C)NC(=O)COC(=O)c1c(-c2c(F)cccc2Cl)noc1C 4871141 APNBQQOPXDBEMC-VIFPVBQESA-N 368.792 3.514 0 40 FHAB Cc1ccc(N2C(=O)c3cccc4c(NCCO)ccc(c34)C2=O)cc1C 5417265 HGHWJYNIQPMKGT-UHFFFAOYSA-N 360.413 3.661 0 40 FHAB COC(=O)CSc1nc2c(c(=O)[nH]1)[C@H](C1CCCC1)Cc1ccccc1-2 5625575 BEIWKUNASJZQJT-HNNXBMFYSA-N 370.474 3.532 0 40 FHAB O=C(O)c1ccc2c(c1)NC(=O)[C@@H](CSCc1ccccc1Cl)N2 5660296 VCAUCCLVKJDYIQ-OAHLLOKOSA-N 362.838 3.704 0 40 FHAB COc1c(OC[C@H](O)CN2CCCCC2)c2c(C)coc2c2ccoc12 6523526 ZYHCHTRKHCAAPA-CQSZACIVSA-N 359.422 3.722 0 40 FHAB O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1cccc(F)c1 6529828 DIDXUOZYKJWGPF-UHFFFAOYSA-N 360.344 3.879 0 40 FHAB C[C@H](C(=O)Nc1ccc(F)cc1Cl)N(C)CCOc1ccccc1 6559671 RPSPUIUSQPLIKU-CYBMUJFWSA-N 350.821 3.817 0 40 FHAB O=C(Nc1cccc(Cl)c1)c1nn(-c2ccc(Cl)cc2)ccc1=O 6669472 NTJUJBDGSIVPIZ-UHFFFAOYSA-N 360.200 3.792 0 40 FHAB Cc1cc(C)cc(OCCN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)c1 7090255 YHNCLLNXJMPDFX-HXUWFJFHSA-N 370.474 3.527 0 40 FHAB COc1ccccc1OCCNC(=O)COc1cc(C)ccc1C(C)C 7842557 LIBYFBAOFYDWGN-UHFFFAOYSA-N 357.450 3.701 0 40 FHAB CCOc1ccc(N2C[C@@H](C(=O)Oc3ccc(CC)cc3)CC2=O)cc1 7929200 HWRSRLRGPTZPBM-INIZCTEOSA-N 353.418 3.606 0 40 FHAB C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)c1cccc(Cl)c1 8714791 MTOISTDKPPETGR-NSHDSACASA-N 355.777 3.610 0 40 FHAB C[C@H](Nc1cccc(C(N)=O)c1)C(=O)Nc1ccc(Cl)cc1Cl 9313571 BFQNONKYISLXCN-VIFPVBQESA-N 352.221 3.531 0 40 FHAB COC(=O)c1sccc1S(=O)(=O)Nc1cc(Cl)ccc1Cl 9320609 XCCNLPKVNZECDT-UHFFFAOYSA-N 366.247 3.642 0 40 FHAB COc1cc(NC(=S)NCc2ccccc2Cl)cc(OC)c1OC 9481885 YSEZVEPXLHZHGK-UHFFFAOYSA-N 366.870 3.852 0 40 FHAB Cc1ccccc1C(=O)OCC(=O)c1ccc(NC(=O)c2ccco2)cc1 9834541 RYTSWJVKNGROGF-UHFFFAOYSA-N 363.369 3.880 0 40 FHAB CCc1nc2ccccc2c(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)c1C 10028247 SSNSIFLKHWOZKD-ZDUSSCGKSA-N 367.405 3.586 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)Nc1ccc(F)cc1F)c1ccccc1F 10260917 SFEQIZGGOHEEEA-INIZCTEOSA-N 360.339 3.749 0 40 FHAB Cc1cccc(NC(=O)[C@H](C)Nc2ccc(N3CCCC3=O)c(C)c2)c1 10746384 BSOSORJRWJWECJ-INIZCTEOSA-N 351.450 3.869 0 40 FHAB CCOC(=O)Nc1ccc2c(COC(=O)[C@@H]3CC=CCC3)cc(=O)oc2c1 10849332 MZLRFTTWJNVBAD-CYBMUJFWSA-N 371.389 3.761 0 40 FHAB Cc1cc2oc(C(=O)NCCCN3C[C@@H](C)C[C@H](C)C3)cc(=O)c2cc1C 12205120 VIAKKOUCRUKDOC-GJZGRUSLSA-N 370.493 3.508 0 40 FHAB Cc1ccc(C(=O)CSc2nccn(-c3ccc(C)cc3)c2=O)cc1 12415262 KVIZQFJURVIFGZ-UHFFFAOYSA-N 350.443 3.824 0 40 FHAB COc1cccc(NC(=O)CSc2nc(N)c3c(C)c(C)sc3n2)c1 12538222 XZVHXPPNJKUXFR-UHFFFAOYSA-N 374.491 3.630 0 40 FHAB C[C@H](NC(=O)c1cc(=O)[nH]c2ccccc12)c1ccc(Br)cc1 12776767 LJBKLXXQZITDKG-NSHDSACASA-N 371.234 3.782 0 40 FHAB Cc1ccc(CNC(=O)[C@H](NC(=O)OCc2ccccc2)C(C)C)cc1F 12936059 DBPMXSCXXUPORI-LJQANCHMSA-N 372.440 3.701 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)NCc1cccc(NC(=O)C2CC2)c1 12993624 QHKHJVWQRZMWDT-AWEZNQCLSA-N 367.449 3.604 0 40 FHAB C[C@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1ccc(Cl)cc1Cl 13571976 NYHCAVZYJBHSOH-ZETCQYMHSA-N 368.249 3.779 0 40 FHAB CCOC(=O)[C@@H]1CCCN(c2nc3c(Cl)c(C)nn3c3ccccc23)C1 14246013 RUHQOZOESOUFBM-CYBMUJFWSA-N 372.856 3.624 0 40 FHAB CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2cccc3c2CCCC3)c1 14771391 OBOKZWLOARHLHI-UHFFFAOYSA-N 372.490 3.504 0 40 FHAB CCCn1nc(C(=O)N[C@H](c2cccs2)C(C)C)c2ccccc2c1=O 15182937 LYXLMIBOXVSHEG-KRWDZBQOSA-N 369.490 3.995 0 40 FHAB COc1cccc(OCc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c1 15931009 ASVYVPDQFCEJJK-IYBDPMFKSA-N 355.434 3.524 0 40 FHAB COc1c(C)cccc1C(=O)NC(=S)Nc1cccc2c(O)cccc12 17075246 MYAURBKOHOYFFC-UHFFFAOYSA-N 366.442 3.989 0 40 FHAB Cc1cccc(CN2CCC[C@@H](n3c(=O)oc4ccc(Cl)cc43)C2)n1 19236235 JPVBSFKFQCBBCH-MRXNPFEDSA-N 357.841 3.788 0 40 FHAB O=C1COc2ccc(-c3csc(NC(=O)c4ccc(F)cc4)n3)cc2N1 19796411 NUKMIEWZBWEXJY-UHFFFAOYSA-N 369.377 3.532 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(OC)cc1 19933780 UMNUHZVTZIYZFI-CQSZACIVSA-N 372.490 3.954 0 40 FHAB COc1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)c(OC)c1 22365734 YSHDMWIHJFGWFG-UHFFFAOYSA-N 359.407 3.684 0 40 FHAB O=C(NCCc1ccc(Br)s1)NCCc1ccccc1F 22876126 BXWBRYUEYFOFRH-UHFFFAOYSA-N 371.275 3.734 0 40 FHAB O=C(c1cccc2ccccc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23379272 ZKXDMXKDNOMFAW-UHFFFAOYSA-N 374.440 3.527 0 40 FHAB O=C(C[C@H]1C(=O)N(C2CCCC2)c2nc3ccccc3n21)Nc1ccccc1 23382328 GUZQJGOCPXDJJR-IBGZPJMESA-N 374.444 3.895 0 40 FHAB Cc1cc(S(=O)(=O)Nc2ccccc2-c2nc(C3CC3)n[nH]2)c(C)s1 26541406 GMGODEVWRGMIOK-UHFFFAOYSA-N 374.491 3.828 0 40 FHAB CCCOC(=O)c1cccc(NC(=O)[C@@]23CC[C@@](C)([C@@H](O)C2)C3(C)C)c1 26770198 QVNARRIYMHAZFM-ORYQWCPZSA-N 359.466 3.769 0 40 FHAB O=C(Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1)c1cnccn1 28221681 MKXMSYKSFTZDIK-UHFFFAOYSA-N 361.336 3.585 0 40 FHAB Cc1cc(OCC(=O)Nc2nnc([C@H]3CCCO3)s2)ccc1C(C)C 28228210 IUPFWMUAWOGPTF-OAHLLOKOSA-N 361.467 3.839 0 40 FHAB O=C(Nc1ccc(F)cc1)[C@H]1CC(O)=Nc2c(-c3ccc(F)cc3)cnn21 32092822 PVIAEFSLGPVZAC-MRXNPFEDSA-N 368.343 4.000 0 40 FHAB Cc1cccc2sc(NC(=O)[C@H](C)n3cc(Br)cn3)nc12 32647722 JKPALQNSCLNHNE-VIFPVBQESA-N 365.256 3.763 0 40 FHAB COc1ccc([C@@H]2CCCN2CC(=O)N2[C@@H](C)CCC[C@@H]2C)c(OC)c1 32774329 XOCJUBUCDUOPTE-BXWFABGCSA-N 360.498 3.630 0 40 FHAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@@]12O 34173147 XZTUSOXSLKTKJQ-DKNXKHEBSA-N 374.521 3.604 0 40 FHAB biogenic,in-vitro Cc1nc2sc([C@@H](c3ccc(F)cc3)N3CCC[C@H](C)C3)c(O)n2n1 35155523 ZKQVYCGRFVCSRZ-XHDPSFHLSA-N 360.458 3.765 0 40 FHAB Cc1ccc(C2=NC3(CCN(Cc4ccc(Cl)cc4)CC3)NC2=O)cc1 35430869 OSSNGFRAPFEJCX-UHFFFAOYSA-N 367.880 3.560 0 40 FHAB C[C@H]1CN([C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@H](C)O1 36384553 WNDMBVYJDCWGJH-BZSNNMDCSA-N 368.477 3.702 0 40 FHAB CCN(CC)C(=O)N1CCC[C@@H](C(=O)N[C@@H](c2cccs2)C(C)C)C1 40088466 NDAJCUANFOLLRZ-NVXWUHKLSA-N 365.543 3.735 0 40 FHAB Cc1cccc(C)c1-n1c(C)nc2nc(N3CCCC3)nc(O)c2c1=S 40386957 SFRCXUZZRBTGHG-UHFFFAOYSA-N 367.478 3.776 0 40 FHAB COCc1ccccc1NC(=O)CCCc1nc(-c2ccc(F)cc2)no1 44551092 XFZYKARQCGNFRO-UHFFFAOYSA-N 369.396 3.984 0 40 FHAB CN(C)c1ccc2cc(NC(=O)C3C[C@@H]4CCC[C@H](C3)C4=O)ccc2n1 48341104 GHMKEQLLXBHEEO-XYPWUTKMSA-N 351.450 3.635 0 40 FHAB C[C@@H](c1cccs1)N(C)Cc1nnnn1-c1ccc(C(F)(F)F)cc1 48368473 SSPGASYUOAKNHM-NSHDSACASA-N 367.400 3.936 0 40 FHAB C[C@H](NC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)C1CC1 56802328 JVJXIILMDBTEEA-ZDUSSCGKSA-N 370.415 3.851 0 40 FHAB O=C(Cn1cccc1-c1nc(-c2ccc(F)cc2)no1)NC1CCCCC1 57486637 VBJQVJSQPBPZIR-UHFFFAOYSA-N 368.412 3.793 0 40 FHAB O=C(c1ccnc(-n2ccnc2)c1)N(Cc1ccccc1)Cc1ccco1 58072969 FYXVUKITVHAMPL-UHFFFAOYSA-N 358.401 3.703 0 40 FHAB CS(=O)(=O)Cc1cccc(NC(=O)Cc2ccc(Cl)cc2Cl)c1 60214384 HCGOJGSLLGMNRX-UHFFFAOYSA-N 372.273 3.719 0 40 FHAB Cn1cc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c(-c2cccnc2)n1 65474489 RPQBMSUJQWYFTE-MRXNPFEDSA-N 368.437 3.588 0 40 FHAB Cc1cc(=O)oc2c(-c3cc(-c4cccs4)nc(N)n3)c(O)ccc12 68734524 STECRSRPWAVLGI-UHFFFAOYSA-N 351.387 3.575 0 40 FHAB CN1CCN(C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)CC1 69902761 UGIHYBNSQIFQIE-UHFFFAOYSA-N 365.452 3.681 0 40 FHAB CCc1cc(-n2cnnc2)cc(C)c1NC(=O)Cc1ccc(Cl)cc1 72228939 IUFISXCJEGNAHS-UHFFFAOYSA-N 354.841 3.973 0 40 FHAB COc1ccc([C@@H](C)NC(=O)c2cc(-c3cccs3)[nH]n2)cc1OC 72328243 AIMIBFKVXMCSQD-LLVKDONJSA-N 357.435 3.646 0 40 FHAB CCOc1ccccc1C(=O)N[C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 78950958 WYQNRELONINZBM-DYVFJYSZSA-N 368.433 3.686 0 40 FHAB Cc1c(C(=O)N2CCCC[C@@H]2C(=O)N2CCCC2)sc2cccc(F)c12 84066764 ZMKRDZJUUUPVRP-OAHLLOKOSA-N 374.481 3.966 0 40 FHAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1cccnc1-n1ccnc1C 89568317 APCFXOFHRISOOP-UHFFFAOYSA-N 371.444 3.922 0 40 FHAB Cc1nc(-c2ccccc2)sc1[C@@H](C)OC(=O)c1ccc(=O)n(C)c1 95958915 YBJROZMBJMYANV-CYBMUJFWSA-N 354.431 3.735 0 40 FHAB O=C(Nc1cccc(F)c1)[C@@H]1C[C@]12CCN(C(=O)CCc1ccccc1)C2 96075050 KZTDVOOMGROPSQ-UGKGYDQZSA-N 366.436 3.636 0 40 FHAB CC(=O)N1CC[C@@]2(C(=O)Nc3ccccc3Oc3ccccc3)C[C@H]2C1 96268462 MDJUPVYZDWPOOU-HRAATJIYSA-N 350.418 3.676 0 40 FHAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(F)cc1Br)OC2=O 100260901 NWYTVZOHIKJKTI-HOTGVXAUSA-N 370.218 3.649 0 40 FHAB Cc1cc(NC(=O)CN2C(=O)[C@@H]3CCCC3=Nc3ccccc32)ccc1F 102301759 OOPFHMHMZZOOLY-OAHLLOKOSA-N 365.408 3.992 0 40 FHAB Nc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1)C=C(c1ccccc1)N2 102952169 LMCSVSQTNVAJGH-AWEZNQCLSA-N 350.809 3.604 0 40 FHAB CCOC(=O)Nc1cccc(OCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 106539460 GDTNLMMTWOTBAS-YRBFXIGRSA-N 360.454 3.575 0 40 FHAB COC(=O)c1cc(S(=O)(=O)Nc2c(C)cccc2C)ccc1Cl 156745114 FOPGEAFIQQNARA-UHFFFAOYSA-N 353.827 3.544 0 40 FHAB C[C@@H](NC(=O)CCC(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2)[C@@H]1C[C@@H]2CC[C@@H]1C2 222489849 BFIMPPVMZHKIOV-HNMICSQGSA-N 360.542 3.648 0 40 FHAB CCOC(=O)CCCN(C)C(=O)c1ccc2c(c1)nc(Cl)n2C(C)C 222547136 HEEQCJMPHUCPJP-UHFFFAOYSA-N 365.861 3.686 0 40 FHAB Cc1ccccc1OCCNS(=O)(=O)Cc1ccc(Cl)cc1Cl 224177776 PMOYRCWDEDTJMC-UHFFFAOYSA-N 374.289 3.800 0 40 FHAB O=C(NCCOc1ccccc1)C1CCN(Cc2ccccc2Cl)CC1 224532176 VWXYZOGFIMBHSH-UHFFFAOYSA-N 372.896 3.747 0 40 FHAB COc1ccc2c(c1)[C@H](NC(=S)Nc1ncccc1C)CC(C)(C)O2 225684540 BNTMHXCNYXUSRS-OAHLLOKOSA-N 357.479 3.987 0 40 FHAB CCC[C@H](C)NC(=O)CCc1nc(-c2ccc(Br)cc2)no1 225820732 BFIHZUGFWHLKAA-NSHDSACASA-N 366.259 3.737 0 40 FHAB CCOc1ccc(C(=O)Nc2cc(OCC)c3nc(N)sc3c2)cc1 226311366 ZHJFZWWTKIRHLF-UHFFFAOYSA-N 357.435 3.928 0 40 FHAB O=C(c1cc(-c2ccco2)n[nH]1)N1CC[C@H](Oc2cccc3cccnc23)C1 252507588 WOWOAEHLGINEIE-HNNXBMFYSA-N 374.400 3.511 0 40 FHAB CC1(c2cc[nH]n2)CCN(Cc2ccc(-c3ccccc3C(=O)O)o2)CC1 257225609 FGZMUHWXLIXLHQ-UHFFFAOYSA-N 365.433 3.922 0 40 FHAB O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2CN(Cc3ccoc3)C[C@H]21 306130688 JNAYRQDIYAATRT-IEBWSBKVSA-N 371.483 3.763 0 40 FHAB CC(C)[C@H]1OCCC[C@H]1CNC(=O)Nc1cn(C)nc1-c1ccccc1 332849030 RUSLDQFDDAGPHX-QFBILLFUSA-N 356.470 3.660 0 40 FHAB Cc1cc(C(=O)NC[C@@H]2CCCN3CCCC[C@@H]23)c2cc(F)ccc2n1 504700711 IWGOGVQXAIAKHJ-YWZLYKJASA-N 355.457 3.677 0 40 FHAB biogenic CC(C)CN1CCC[C@@H](CNC(=O)c2ccc3nc(C(F)F)[nH]c3c2)C1 532590351 UWIBBOJSPQMCRF-ZDUSSCGKSA-N 364.440 3.598 0 40 FHAB CS(=O)(=O)c1ccccc1C(=O)N1CCCCc2cc(Cl)ccc21 622960601 WGGZDRCVKVXGLK-UHFFFAOYSA-N 363.866 3.727 0 40 FHAB CCC[C@H](C)c1cc(NC(=O)c2ccc3c(c2)nc(O)n3C2CC2)n[nH]1 1631047173 JCCQITBAXIHIAA-NSHDSACASA-N 353.426 3.956 0 40 FHAB COC1(C)CN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CC[C@H](C)C2)C1 1697217256 STZABGUHEIMPGU-DOTOQJQBSA-N 372.488 3.669 0 40 FHAB COc1ccccc1-c1ccc(CC2(C(=O)NC3CC3)CCOCC2)cc1 1848351698 PRYCOBBCQWYIPX-UHFFFAOYSA-N 365.473 3.980 0 40 FHAB FC(F)(F)c1nnc2ccc(N3CC4(CC(c5ccccc5)C4)C3)nn12 1889191918 SGVCPTQVLDDZPT-UHFFFAOYSA-N 359.355 3.527 0 40 FHAB O=c1oc2ccc(Cl)cc2cc1S(=O)(=O)c1ccc(Cl)cc1 2687250 UZWMLEOSPVPRJT-UHFFFAOYSA-N 355.198 3.933 0 40 FHAB COc1ccc2c(c1)CCN2C(=O)NCc1ccnc(OC2CCCC2)c1 60545393 JJOMNAWLUGOSFA-UHFFFAOYSA-N 367.449 3.684 0 40 FHAB C/C=C/c1cc(C(=O)NCc2ccccc2CN(C)C)cc(OC)c1OC 21938520 FRTMNUNOQJZFPN-RMKNXTFCSA-N 368.477 3.729 0 40 FHAB C[C@H](Nc1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)OCO2 3371816 IGHPBEJMGZJGQY-JTQLQIEISA-N 363.211 3.617 0 40 FHAB CC(C)/N=c1\ccccn1C(=O)c1ccc(OCc2cscn2)cc1 22378916 YVGYJGGKUHORLW-DYTRJAOYSA-N 353.447 3.521 0 40 FHAB Cc1cccc(C)c1NC(=O)CSc1nnc(Cc2ccccc2)n1C 4800441 WEIYPBSFPKSEPO-UHFFFAOYSA-N 366.490 3.754 0 40 FHAB COc1ccc(OC)c(-c2nc(NC(=O)c3cccnc3)sc2C)c1 6185728 DEVMLNKOVLIKIH-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB CCCCOC(=O)CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O 6650420 FDBAMEQTMWCOPN-UKTHLTGXSA-N 353.827 3.720 0 40 FHAB CCOc1cc(C=O)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1 6892277 CASJPQBUPVEFHO-UHFFFAOYSA-N 363.797 3.577 0 40 FHAB O=C(Nc1cccc(Br)c1)c1cnn(Cc2ccccc2)c1 7069806 JJMWUOMIJLQQEP-UHFFFAOYSA-N 356.223 3.946 0 40 FHAB COc1ccccc1N1CCN(C(=S)Nc2cc(C)ccc2C)CC1 7522446 VVWSUMQQDKYLKU-UHFFFAOYSA-N 355.507 3.831 0 40 FHAB CC1CCN(CCCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 10540995 ISUKIUWGXLYXGD-GOSISDBHSA-N 360.542 3.990 0 40 FHAB Cc1cccc(C)c1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 8318991 FQCNIJHLLGTPBE-GOSISDBHSA-N 366.461 3.850 0 40 FHAB Cc1noc(C2CCN(C(=O)CCc3ccc(-c4ccccc4)[nH]3)CC2)n1 54122958 KZIJKVOXQLEZBM-UHFFFAOYSA-N 364.449 3.712 0 40 FHAB Cc1sc2ncn(CC(=O)Nc3cccc4ccccc34)c(=O)c2c1C 957829 QWBAAGCUPUXGBN-UHFFFAOYSA-N 363.442 3.867 0 40 FHAB Cc1cc(Cl)ccc1OCC(=O)NC[C@@H](c1cccs1)N(C)C 23330280 KIKLQFLDRUOEIM-AWEZNQCLSA-N 352.887 3.508 0 40 FHAB CCc1nnc(NC(=O)COc2ccc(C3SCCS3)cc2)s1 9477583 SLFMQFIMVODJIG-UHFFFAOYSA-N 367.521 3.597 0 40 FHAB O=C(Nc1ccncc1)C1CCN(C(=O)c2csc3c2CCCC3)CC1 24703209 DRYZVJQUMRTVCK-UHFFFAOYSA-N 369.490 3.513 0 40 FHAB COC(=O)c1cc(NC(=O)c2cc(Cl)ccc2OC)c(F)cc1F 24987240 CCRBETRENIQAOC-UHFFFAOYSA-N 355.724 3.666 0 40 FHAB Nc1nc(SCc2cc(Cl)c3c(c2)OCO3)nc2sccc12 25988852 MHFZRDJXMQBOFN-UHFFFAOYSA-N 351.840 3.948 0 40 FHAB COCCN1COc2c(Cl)cc3c(-c4ccccc4)cc(=O)oc3c2C1 57405710 OHQCZJBWUOKINN-UHFFFAOYSA-N 371.820 3.912 0 40 FHAB CCc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)cc1 57416412 IRNKFLFIAFLDCP-HNNXBMFYSA-N 374.843 3.711 0 40 FHAB CCC(=O)Nc1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1C 12536292 MWGJSOUNXKFPJY-UHFFFAOYSA-N 352.843 3.798 0 40 FHAB CCc1onc(C)c1C(=O)N1[C@H]2CC[C@@H](C2)[C@H]1COc1cccc(OC)c1 100112269 GHJWLPNLQNSAQE-RLFYNMQTSA-N 370.449 3.626 0 40 FHAB CCc1ccccc1NC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 102301545 XERVJGSKRVAWNZ-OALUTQOASA-N 374.440 3.957 0 40 FHAB COC(=O)c1cccc(C(=O)Nc2ccc(N3CCc4ccccc43)cc2)n1 58333251 XWCMPBAMQSRXLX-UHFFFAOYSA-N 373.412 3.815 0 40 FHAB O=C(Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1)[C@H]1CCCO1 28221693 PKEBEFOPBSIUOW-MRXNPFEDSA-N 353.353 3.660 0 40 FHAB Cc1nnc([C@H]2Cc3ccccc3CN2CCOc2ccccc2F)o1 58428066 XWHLIPSBDUZZIL-GOSISDBHSA-N 353.397 3.696 0 40 FHAB CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nncn2C2CC2)cc1 10649198 UGSYXTOSOVKBAA-GFCCVEGCSA-N 358.467 3.571 0 40 FHAB O=C(CCCn1sc2ccccc2c1=O)/N=c1/[nH]c2ccccc2s1 36365946 LRRXGGUKNZVVEC-UHFFFAOYSA-N 369.471 3.514 0 40 FHAB CCn1c(NC(=O)c2cc3cc(OC)cc(OC)c3[nH]2)nc2ccccc21 45898388 LFELIBHWRRTNOU-UHFFFAOYSA-N 364.405 3.807 0 40 FHAB Cc1ccc(OCC(=O)NC[C@@H](c2cccs2)N2CCCCC2)cc1 27580133 SLHZIFTXWPWAHB-SFHVURJKSA-N 358.507 3.779 0 40 FHAB CCc1n[nH]c(SCc2csc(-c3cccc(OC)c3OC)n2)n1 11715479 RJMKBKHDDRSUMG-UHFFFAOYSA-N 362.480 3.800 0 40 FHAB COc1cc(C(=O)NCc2ccc(COC(C)C)cc2)cc(OC)c1OC 48332094 FWTJPDPYGCVWGI-UHFFFAOYSA-N 373.449 3.567 0 40 FHAB CCN1CCC(N(C)S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 12915286 UODYLLWYRJXSBF-UHFFFAOYSA-N 364.555 3.839 0 40 FHAB CSc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(F)c(F)c2)c(C)n1 12995057 QTZMJFIGLGQYOI-JTQLQIEISA-N 365.449 3.904 0 40 FHAB Cc1ccccc1CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 12985989 OHTXMZIXTZAXTE-VAWYXSNFSA-N 362.473 3.563 0 40 FHAB CCCN1C(=O)/C(=C/c2ccc(OCC(C)C)c(OCC)c2)NC1=S 3662961 JRHOEQJQQCVPIA-GDNBJRDFSA-N 362.495 3.588 0 40 FHAB O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)c1cccnc1S 70840530 GRSOPLBBXFAZMM-UHFFFAOYSA-N 369.490 3.819 0 40 FHAB Cc1nc(-c2ccc(Cl)c(Cl)c2)n(Cc2ccc(C(N)=O)cc2)n1 63509385 SZBAGNFWUXTYMI-UHFFFAOYSA-N 361.232 3.708 0 40 FHAB CC(C)C(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1 4109810 YDVNYDIPXAIDPF-UHFFFAOYSA-N 359.417 3.775 0 40 FHAB CCCCC(=O)NC(NC(=O)CCCC)c1ccc(OCC)c(OC)c1 4185048 VDRSUKWFCJUFOJ-UHFFFAOYSA-N 364.486 3.705 0 40 FHAB Cc1cccc(C)c1NC(=O)c1sc2nc3c(cc2c1N)CN(C)CC3 5127180 LFIZCOLNTABJRL-UHFFFAOYSA-N 366.490 3.736 0 40 FHAB C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N(C)Cc1ccsc1 39981854 RXNDQDVFJIEUJS-OAHLLOKOSA-N 366.486 3.607 0 40 FHAB CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(Cl)cc1OC 409012388 JSCXOYJNFWVUQB-OQLLNIDSSA-N 372.808 3.845 0 40 FHAB O=C(Nc1ccccc1C(=O)NC1CCCC1)c1cnc2ccccc2n1 14122849 LYBVFQZEWLFJRG-UHFFFAOYSA-N 360.417 3.555 0 40 FHAB C[C@@H]1CCCCN1C(=O)CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1 14174141 RPJBNUJEEYYSDX-UTSBKAFOSA-N 360.458 3.607 0 40 FHAB Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(C)c3ccc(Cl)cc32)c(C)c1 4556189 FHQOJWPSLZMFAZ-FQEVSTJZSA-N 357.837 3.702 0 40 FHAB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)n2ncnc2N1 4724039 MCZRPHQFIQUIAK-INIZCTEOSA-N 351.435 3.576 0 40 FHAB Cc1cccc(C(=O)NCCC(=O)Nc2cccc(C(F)(F)F)c2)c1 9299907 UFKLIYOFYOYRTF-UHFFFAOYSA-N 350.340 3.772 0 40 FHAB CCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1 408603185 FUTSEZQSJHOZQM-UHFFFAOYSA-N 366.870 3.589 0 40 FHAB O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccc(F)cc1F 6942532 RJLIHBMUIDJMBR-UHFFFAOYSA-N 358.344 3.561 0 40 FHAB Cc1cc(C(=O)COC(=O)/C=C/c2ccc3c(c2)OCO3)c(C)n1C1CC1 6943121 NNKAHFLXWYVUGB-XBXARRHUSA-N 367.401 3.608 0 40 FHAB CCCOCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccccc1)C2 4910675 RPQSNLFXWXDAJV-INIZCTEOSA-N 355.434 3.819 0 40 FHAB CCC(CC)c1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)s1 4975579 VKVLKOJWIUHWMR-CQSZACIVSA-N 372.494 3.742 0 40 FHAB O[C@@]1(C(F)(F)F)[C@@H]2CCCCC2=NN1c1nc(-c2ccncc2)cs1 4916055 ZKEVILHGHHTJSI-IAQYHMDHSA-N 368.384 3.822 0 40 FHAB Cc1ccc([C@H]2OCCC[C@H]2C(=O)NCc2n[nH]c(=S)n2C(C)C)cc1 80173327 JZRITJPXJBHEEZ-NVXWUHKLSA-N 374.510 3.614 0 40 FHAB Cc1noc(C)c1CCC(=O)N[C@H]1CCc2c(Br)cccc21 68033208 IRAYJXQCKDCMBB-INIZCTEOSA-N 363.255 3.790 0 40 FHAB O=C(Cc1n[nH]c(=O)c2ccccc12)Oc1ccc(Cl)c2ccccc12 7738442 VTKSPYGIMUEEDT-UHFFFAOYSA-N 364.788 3.878 0 40 FHAB C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cccc(Cl)c1 7848223 ITBGVMHEGVUPJZ-ZDUSSCGKSA-N 357.841 3.906 0 40 FHAB COc1ccc2c(CC(=O)NC[C@H](c3ccco3)N3CCCC3)coc2c1 8342632 BKAQJCWLGOBTBZ-GOSISDBHSA-N 368.433 3.530 0 40 FHAB Cc1nnc(S[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)s1 96318799 WYHHQMPXMOUSRR-JTQLQIEISA-N 374.274 3.578 0 40 FHAB CC1(C)CN(CC2CCOCC2)c2ccccc2N1CC1CCOCC1 72308931 IYMXQKLBLNOVDM-UHFFFAOYSA-N 358.526 3.945 0 40 FHAB C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1nc2ccccc2n1C(F)F 9757394 CFWMCDHUASQADE-SNVBAGLBSA-N 359.332 3.651 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2cccc(C(C)=O)c2)c1C 9885401 UTLZBHZEPIMCLK-ZDUSSCGKSA-N 356.422 3.694 0 40 FHAB CC(C)c1ccc([C@@H](CNC(=O)c2ccccc2)N2CCOCC2)cc1 28291021 NCYZNXJGYKJSIG-OAQYLSRUSA-N 352.478 3.613 0 40 FHAB Cc1nn(-c2ccc(NC(=O)[C@@H]3CCOC(C)(C)C3)cn2)c(C)c1Cl 72403576 OENSOQLZMCLVGD-CYBMUJFWSA-N 362.861 3.681 0 40 FHAB O=C(CCc1nnc(-c2ccsc2)o1)N1CC[C@H](c2ccccc2)C1 84525502 SYUBVZRHNCNKKF-HNNXBMFYSA-N 353.447 3.747 0 40 FHAB O=C(NC1CCCCCC1)c1cncc(C(=O)NC2CCCCCC2)c1 95350651 IIVOGESVJKWKSU-UHFFFAOYSA-N 357.498 3.987 0 40 FHAB C[C@@](O)(CNC(=O)CCCc1c[nH]c2ccccc12)c1ccc(F)cc1 89230150 CDCSVBVEXCLIEB-OAQYLSRUSA-N 354.425 3.654 0 40 FHAB C=Cc1ccc(CSc2nc3ccccc3c(=O)n2CCN(C)C)cc1 67258694 PZIKCAPRZKUAAD-UHFFFAOYSA-N 365.502 3.893 0 40 FHAB CC(C)(C)c1ccccc1OCC(=O)NCc1nc(-c2cccs2)no1 65778400 BKPSHGMPRSBVBO-UHFFFAOYSA-N 371.462 3.791 0 40 FHAB Cn1c(SCc2cc(=O)c3cc(F)ccc3[nH]2)nnc1-c1ccccc1 21943553 VLOCLUIBWOQIKP-UHFFFAOYSA-N 366.421 3.755 0 40 FHAB CCn1cc(C(=O)Nc2ccc(F)c(F)c2)c(=O)c2cc(OC)ccc21 22236102 XGEHAXYONDRTFK-UHFFFAOYSA-N 358.344 3.561 0 40 FHAB CCc1c(C(=O)Nc2cc(C)nn2CC)cnn1-c1ccc(Cl)cc1 530138661 XEQDUKXTMLDAAN-UHFFFAOYSA-N 357.845 3.865 0 40 FHAB CCc1nc([C@H](C)NC(=O)N2CC[C@@]3(C2)OCc2ccccc23)cs1 185703355 NEXULXPQNHVVQZ-DJJJIMSYSA-N 357.479 3.608 0 40 FHAB CCC1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2C)CC1 218906067 XFQZQZGKSMDEAW-UHFFFAOYSA-N 367.287 3.781 0 40 FHAB CC[C@@H](Oc1ccccc1C)C(=O)N1CCN(c2ccccc2F)CC1 216426040 CEQYHGOCQXDGLE-LJQANCHMSA-N 356.441 3.640 0 40 FHAB c1csc(-c2cnc3nc(N4CCCC4)nn3c2-c2nccs2)c1 72342841 SZWCWJHHMMYARH-UHFFFAOYSA-N 354.464 3.577 0 40 FHAB CCCc1ncc(CN2CCc3[nH]c4ccc(OCC)cc4c3C2)cn1 36740662 AEELJQJTABNYPW-UHFFFAOYSA-N 350.466 3.867 0 40 FHAB COc1ccc([C@H](C)NC(=O)c2cc(-c3cccs3)[nH]n2)cc1OC 72328242 AIMIBFKVXMCSQD-NSHDSACASA-N 357.435 3.646 0 40 FHAB COc1ccc(-c2ncc(C(=O)Nc3ccc(F)cc3F)c(C)n2)cc1 223141955 MDULAKISOBSTIH-UHFFFAOYSA-N 355.344 3.991 0 40 FHAB CSc1cccc(NC(=O)Cn2ccc(=O)c3c(C)cc(C)cc32)c1 225756111 PSWODHIPVZDDEH-UHFFFAOYSA-N 352.459 3.979 0 40 FHAB CCCC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)NCC 223223377 YKLRFZQZPFWQLP-NRFANRHFSA-N 366.505 3.871 0 40 FHAB O=C(O)c1ccc(-c2nc(CN3CCC([C@H]4CCCO4)CC3)cs2)cc1 569582840 CIHTUMFDZMPHSZ-GOSISDBHSA-N 372.490 3.899 0 40 FHAB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1 223883984 IVYRRSBYEOYPGT-OALUTQOASA-N 363.490 3.653 0 40 FHAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)s1 223294461 IEWRXRPGSOPLCA-RRQGHBQHSA-N 359.520 3.603 0 40 FHAB C[C@@H]1Cc2cccc3c(=O)c(C(=O)N(C)Cc4ccccc4F)cn1c23 225861243 GNZQIJGTTAHVLP-CYBMUJFWSA-N 350.393 3.530 0 40 FHAB COc1cccc(-c2nc([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)no2)c1 44421714 ZBPVUQLNEMZFQA-CYBMUJFWSA-N 369.808 3.919 0 40 FHAB Cc1cccc(OCC(=O)NCc2cccc(CN3CCCCC3)c2)c1 224696048 OOOYUBAIMOHOOH-UHFFFAOYSA-N 352.478 3.676 0 40 FHAB CCCc1ccc(OCCNC(=O)c2ccc(Cn3ccnc3)cc2)cc1 225196311 LTUMFMWAKWVSJU-UHFFFAOYSA-N 363.461 3.693 0 40 FHAB C[C@@H]1[C@@H](NC(=O)[C@@H](C)N2CCO[C@@H](c3ccc(F)cc3)C2)CCC[C@H]1C 195528578 PNKNKOHTAWTGAW-VQEGESQYSA-N 362.489 3.528 0 40 FHAB COc1ccc(CN2CCC3(CCN(Cc4ccccn4)CC3)C2)cc1 96157556 BBJUMDSGTBAROT-UHFFFAOYSA-N 351.494 3.578 0 40 FHAB O=C(NC1CC1)c1ccn(-c2ccc3ccc(-c4cccc(F)c4)cn23)n1 96155394 XJPDYUIOMVBVBW-UHFFFAOYSA-N 360.392 3.823 0 40 FHAB COC[C@@H]1CC2(CCN(Cc3ccsc3)CC2)CN1Cc1ccccn1 96051788 UGTNPFDMWGTSNB-FQEVSTJZSA-N 371.550 3.646 0 40 FHAB CCN1CCc2nc(NC(=O)/C=C/c3ccc([C@@H]4C[C@H]4C)o3)sc2C1 245285910 ZOZKASDYEMQXJD-RCOIXESOSA-N 357.479 3.889 0 40 FHAB CCOC1CC2(CCN(C(=O)C[C@H]3CCCc4cc(OC)ccc43)C2)C1 585082089 BAEJJFMPTAELCU-BWDFOLQRSA-N 357.494 3.923 0 40 FHAB O=C(CC1CCOCC1)N1CCC[C@H](Cc2ccnc3ccccc23)C1 257341892 ZMIHPLJBQZXDHO-GOSISDBHSA-N 352.478 3.833 0 40 FHAB CCc1cc(Br)c(CN[C@@H]2C[C@@H]3C[C@@H](C(=O)O)C[C@H]32)s1 1776958548 DDJPBJCTBVQIBG-SEMCEJNYSA-N 358.301 3.662 0 40 FHAB CCC(=O)Nc1ccc(C)c(NC(=O)N2CCO[C@H](C(F)(F)F)[C@@H]2C)c1 626285278 AIBBLTUHEMRSKP-NHYWBVRUSA-N 373.375 3.527 0 40 FHAB CCOCC[C@@H]1CN(C(=O)c2ccc3ncccc3c2)Cc2cccn2C1 585095208 IJTUOLRSYQMGTC-KRWDZBQOSA-N 363.461 3.735 0 40 FHAB O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)NCCCN1CCCC1=O 28187884 JFXATNBWAPXHHA-FNORWQNLSA-N 374.790 3.501 0 40 FHAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)Cc2c[nH]c3ccccc23)c1 48361498 GEXBONIAANRQHM-HNNXBMFYSA-N 363.461 3.555 0 40 FHAB O=C(CCc1nc(-c2ccccn2)no1)N[C@@H]1CCc2cc(Cl)ccc21 55739538 FJJLVVCTOKXNCZ-OAHLLOKOSA-N 368.824 3.521 0 40 FHAB Cc1noc(C)c1CCC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 78301168 KRXNNARZOABLHI-UHFFFAOYSA-N 370.449 3.581 0 40 FHAB CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1cccc(C)c1 12772494 MXUGEMMSCBLGAR-GOSISDBHSA-N 357.429 3.741 0 40 FHAB Cc1cccc(C)c1OC(=O)CSc1nnc(-c2ccccc2O)o1 13126078 MFSXUZSBFVWAKZ-UHFFFAOYSA-N 356.403 3.757 0 40 FHAB COc1ccc(C2=NNC(c3cccnc3)=Nc3ccc(OC)cc32)cc1 13555829 GBLHPDCWRJDWMI-UHFFFAOYSA-N 358.401 3.533 0 40 FHAB Cc1ccccc1-n1nc(C)c(CN(CCO)Cc2cccs2)c1C 13997544 LJSKWCUPCNPJFM-UHFFFAOYSA-N 355.507 3.854 0 40 FHAB Cc1ccc([C@H](C)CCN2CCC(O)(Cn3ccc4ccncc43)CC2)o1 19216280 JHJVTFBCUWPLMO-QGZVFWFLSA-N 367.493 3.958 0 40 FHAB COc1ccc(OC)c(CN2C[C@@H](c3cc[nH]n3)[C@H](c3ccccc3)C2)c1 19551703 DRAPPXQRLQMVTQ-VQTJNVASSA-N 363.461 3.810 0 40 FHAB N#CCSc1nc2ccc(NC(=O)c3ccccc3C(=O)O)cc2s1 165798581 SGTFGMFLRGGAHI-UHFFFAOYSA-N 369.427 3.862 0 40 FHAB COc1ccc(Cl)cc1/C=C1/NC(=O)N(Cc2ccccc2F)C1=O 3652843 UVLWLABAANXLOF-OQLLNIDSSA-N 360.772 3.581 0 40 FHAB O=c1cc(CN2CCC(CCc3ccccc3)CC2)nc2sccn12 11155172 HLUFJGWFCDOQFP-UHFFFAOYSA-N 353.491 3.601 0 40 FHAB COc1ccc(C)cc1S(=O)(=O)NCCc1c(C)[nH]c2ccc(C)cc12 1072107 HWNGBUWPZAKYMT-UHFFFAOYSA-N 372.490 3.623 0 40 FHAB COCC(=O)N1CCCc2ccc(NC(=O)Nc3ccc(C)cc3)cc21 22503043 RGYYSCJGLUILQP-UHFFFAOYSA-N 353.422 3.565 0 40 FHAB O=C(c1cc2c(s1)CCC2)N1CCC[C@@H]1c1nnc2n1CCCCC2 40080263 IOUWEJTTXCIAKL-CQSZACIVSA-N 356.495 3.532 0 40 FHAB CCCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 100743407 OTLUDXHDCJYXCB-LAQRGFTBSA-N 355.434 3.569 0 40 FHAB Cc1ccc2c(c1)N(C(=O)CSc1nnc(-c3cccs3)o1)CCO2 51319192 MRYDREAELMJITJ-UHFFFAOYSA-N 373.459 3.624 0 40 FHAB C[C@H](Sc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NC[C@H]1CCCO1 32883823 WMRBAGOPEOLYCR-SMDDNHRTSA-N 366.870 3.771 0 40 FHAB COC(=O)c1ccc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)s1 32903804 BTGIFPRBYOVOOJ-UHFFFAOYSA-N 372.471 3.897 0 40 FHAB CCOC(=O)c1sc(NC(=O)c2ccc(OC)c(Cl)c2)nc1C 722654 MZBXGFKNWBMYKT-UHFFFAOYSA-N 354.815 3.543 0 40 FHAB O=C(O[C@H]1CS[C@@H](OC(=O)c2ccccc2)CS1)c1ccccc1 1720593 UTVZEFKAVSYDJH-HZPDHXFCSA-N 360.456 3.833 0 40 FHAB COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc(N)nn32)cc1 2376726 RQUYZNNFYKVHEZ-CVEARBPZSA-N 355.829 3.669 0 40 FHAB CCCc1nc2sc3c(NCC(OC)OC)ncnc3c2c2c1CCC2 2411581 OHNOZCOIDZQNAT-UHFFFAOYSA-N 372.494 3.712 0 40 FHAB COc1cc(CNC(=O)c2cnc(Cl)cc2C(F)(F)F)cc(OC)c1 2577956 KZDNXLSEDSKNLH-UHFFFAOYSA-N 374.746 3.701 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccccc2C)cc1 3188801 AKERZJFEYLCOSP-NTCAYCPXSA-N 372.490 3.677 0 40 FHAB O=C(N/C=C/n1cnc2cc(C(F)(F)F)ccc21)c1cccnc1Cl 3198751 JSGOUYSNIRLADN-VOTSOKGWSA-N 366.730 3.962 0 40 FHAB CCc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 3549822 IVPSZUHVKRTZGG-UHFFFAOYSA-N 360.460 3.515 0 40 FHAB Cc1nc(SCc2cc(=O)n3c(C)csc3n2)c2ccccc2n1 4361612 WVJZXCOSNSZDIH-UHFFFAOYSA-N 354.460 3.608 0 40 FHAB N=C1SCC(=O)N1c1ncc(Cc2cccc(C(F)(F)F)c2)s1 4384922 VJWUKFCEPSHSLQ-UHFFFAOYSA-N 357.382 3.767 0 40 FHAB C[C@H](NC(=O)CSc1nnc(-c2ccco2)o1)c1ccc(F)cc1F 4828305 WSVHRRCFZQWQFV-VIFPVBQESA-N 365.361 3.577 0 40 FHAB COc1ccc(OC)c(-c2cc(C(=O)NCc3ccc(Cl)cc3)no2)c1 4881110 OZNCQCKNEBLWAM-UHFFFAOYSA-N 372.808 3.942 0 40 FHAB Cc1ccc(C)c(OCCC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c1 5245960 DBRGUMVDIQUFLB-QGZVFWFLSA-N 364.449 3.530 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3CCCC3)cc2)cc1 5392723 PSZRHDJCVLFZBE-UHFFFAOYSA-N 358.463 3.925 0 40 FHAB O=C(Nc1ccc(F)cc1)N1CCCN(C(=O)Nc2ccc(F)cc2)CC1 5715371 DUPTWNJOZKOGHS-UHFFFAOYSA-N 374.391 3.737 0 40 FHAB COc1ccc(CNC(=O)Cc2cccc(C(F)(F)F)c2)cc1OC 6285262 ZMJBIEUUENDPDY-UHFFFAOYSA-N 353.340 3.582 0 40 FHAB Cc1cccc(-c2nnc3sc(NC(=O)c4ccccc4F)nn23)c1 6818108 FWHITZUCTZZYCZ-UHFFFAOYSA-N 353.382 3.553 0 40 FHAB CCN(CC(=O)Nc1ccc2c(c1)CCC2)Cc1ccc(OC)c(F)c1 6881169 CXCWJLNJWCVBLS-UHFFFAOYSA-N 356.441 3.784 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccoc3C)o2)c1C 7193963 YHUJHIUFXNQHNZ-UHFFFAOYSA-N 359.407 3.761 0 40 FHAB COC(=O)C1=C(C)N(C)C(=O)N(C)[C@H]1c1ccc(-c2ccccc2)s1 7708456 VUKUMAMKWALMAJ-KRWDZBQOSA-N 356.447 3.900 0 40 FHAB CCOc1cc(/C=C/C(=O)N2CCOCC2)ccc1OCc1ccccc1 8231020 IEEKTYYRYQZJPY-PKNBQFBNSA-N 367.445 3.536 0 40 FHAB Cc1cc(CSc2ncccc2C(=O)NCc2ccccc2C)no1 8367358 YXIBTKXSAGFUEO-UHFFFAOYSA-N 353.447 3.909 0 40 FHAB CCc1cc(Br)ccc1NC(=O)COC(=O)c1ccccc1 8433623 KENAUUQCHXNDAH-UHFFFAOYSA-N 362.223 3.807 0 40 FHAB CC[C@]1(c2ccccc2)NC(=O)N(Cc2ccc(Br)cc2)C1=O 8482051 QHIJYHXSQFOXCN-GOSISDBHSA-N 373.250 3.806 0 40 FHAB Clc1ccc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1 8642680 MKFZFFJYAOYGKF-UHFFFAOYSA-N 366.837 3.904 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(C2CC2)n1Cc1ccco1 8924698 UMBYXCDUWMIBQL-XJKSGUPXSA-N 374.510 3.584 0 40 FHAB O=C1C(=O)N(C23CC4CC(CC(C4)C2)C3)C(=O)N1Cc1cccc(Cl)c1 8944796 LYSZWJYOHYZAFK-UHFFFAOYSA-N 372.852 3.600 0 40 FHAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CO2 8959835 IOFAOXDZSVWCOH-UHFFFAOYSA-N 354.406 3.695 0 40 FHAB Cc1cc(=O)oc2cc(OCC(=O)Nc3nc4ccccc4s3)ccc12 8974468 VOPYHPAIFPUKLM-UHFFFAOYSA-N 366.398 3.729 0 40 FHAB biogenic Cc1ccccc1-c1noc(CSc2nc(N)c3ccsc3n2)n1 9157830 LQVIJISVDIDXRE-UHFFFAOYSA-N 355.448 3.924 0 40 FHAB CCOc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1OC 9657002 PLUFSBXOTXZOKB-UHFFFAOYSA-N 355.419 3.865 0 40 FHAB Cc1cc(-c2nnc(SCC(=O)Nc3ccc(Cl)cn3)o2)c(C)o1 11835551 SAHUPIQSDCSCNX-UHFFFAOYSA-N 364.814 3.726 0 40 FHAB Cn1cccc1[C@@H](CNC(=O)c1ccccc1C(F)(F)F)N1CCCC1 11845608 MWXMQYRKURBNDI-QGZVFWFLSA-N 365.399 3.611 0 40 FHAB CCn1cc(CC(=O)NCc2noc(-c3ccc(C)cc3)n2)c2ccccc21 12148354 GTVOLXQQUQEZFQ-UHFFFAOYSA-N 374.444 3.879 0 40 FHAB CC[C@@H](CN1CCCC1)NC(=O)Cc1csc(Nc2cccc(C)c2)n1 12239732 FCBSPUKWGRJTFZ-INIZCTEOSA-N 372.538 3.728 0 40 FHAB Fc1ccc(/C=C/c2nnc(SCc3nccn3C(F)F)[nH]2)cc1 12532370 BNNBFOXNXJWKHK-ZZXKWVIFSA-N 351.357 3.998 0 40 FHAB COCCn1c(SCC(=O)c2ccccc2OC)nc2ccccc21 12539490 HQRPIMXUXBYLFI-UHFFFAOYSA-N 356.447 3.666 0 40 FHAB CN(Cc1ccccc1N1CCCCC1)Cn1nc2ccccn2c1=S 12548988 RQOKLPPDAYLWSK-UHFFFAOYSA-N 367.522 3.945 0 40 FHAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cc(C2CC2)on1 12761976 AMKUVEQAQXDACJ-UHFFFAOYSA-N 363.421 3.789 0 40 FHAB Cc1cc(Br)ccc1NC(=O)CN(C)c1nc2ccccc2o1 13023298 YHXXNMXDLKLOJH-UHFFFAOYSA-N 374.238 3.974 0 40 FHAB COc1ccc([C@@H](CNC(=S)NC2CCCCC2)N2CCCC2)cc1 13042397 VCJVQENYTPFXDN-LJQANCHMSA-N 361.555 3.629 0 40 FHAB COc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(Cl)cc3)n2)cc1 13495103 GAXRLWUUFWZYFH-NSHDSACASA-N 357.797 3.890 0 40 FHAB Cc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3c2ccc3c(c2)OCO3)cc1 13548873 CXSDQQBHJBVCHH-MRXNPFEDSA-N 361.401 3.692 0 40 FHAB COc1ccc(NC(=O)CNc2ccccc2N2CCCC2=O)cc1Cl 15361330 QHQCHNPUXMMDGT-UHFFFAOYSA-N 373.840 3.526 0 40 FHAB CCOc1cc(/C=C/C(=O)Nc2ccc(OC)cc2OC)ccc1OC 15654253 MHGOKVYBBRYAAN-YRNVUSSQSA-N 357.406 3.763 0 40 FHAB C[C@H](NC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21)c1cccc(Cl)c1 16204894 XSYPPUZDVMRZPJ-UONOGXRCSA-N 372.852 3.721 0 40 FHAB CCn1cc(CCC(=O)N[C@@H](Cc2ccsc2)c2cccnc2)c(C)n1 19524489 YVTLHUZGNOJYDP-IBGZPJMESA-N 368.506 3.701 0 40 FHAB CNC1CCC2(CC1)CN(Cc1cccc(OC)c1)Cc1ccccc1O2 19592015 NPPQLIIYNBYUFV-UHFFFAOYSA-N 366.505 3.991 0 40 FHAB Cc1ccc(-n2cc(CN(Cc3ccccn3)C[C@H]3CCCO3)cn2)cc1 19664436 DRNDWCCADCFVDC-JOCHJYFZSA-N 362.477 3.757 0 40 FHAB Cc1cc(C)c2nc(C)c(C(=O)N3CCC(CCN(C)C)CC3)cc2c1 19665717 HNWDDAPWLFGIRF-UHFFFAOYSA-N 353.510 3.964 0 40 FHAB Cc1cc(C)c2c(=O)c(CN3CCN(c4ccccc4)CC3)c(C)[nH]c2c1 19793547 UFQGSJBMGVGFPE-UHFFFAOYSA-N 361.489 3.776 0 40 FHAB CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 20108142 IJNLQIGHERDDEZ-UHFFFAOYSA-N 366.870 3.623 0 40 FHAB Nc1cc(Cl)ccc1NC(=O)c1ccc(I)cc1 20480355 KQWAGXGWPIDZAW-UHFFFAOYSA-N 372.593 3.779 0 40 FHAB CCCSc1ccccc1C(=O)Nc1nnc(CCOCC)s1 20595754 UOGCMKZZYLRUDJ-UHFFFAOYSA-N 351.497 3.872 0 40 FHAB Cc1ccccc1CN1C(=O)[C@@]2(CC(O)=Nc3[nH]ncc32)c2ccccc21 20723801 TXNJMKKAOHQGEQ-NRFANRHFSA-N 358.401 3.543 0 40 FHAB COc1ccc(CCC(=O)NCCc2ccc(N3CCCCC3)cc2)cc1 23002072 FLMNFZGALXMBJJ-UHFFFAOYSA-N 366.505 3.977 0 40 FHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CSc1cccs1 23192720 NPJYDCZZFURDRV-CYBMUJFWSA-N 358.492 3.641 0 40 FHAB CCc1ccc(C(=O)CSc2nnnn2-c2cccc(C)c2C)cc1 23265882 HJHPBRIMRHWKMC-UHFFFAOYSA-N 352.463 3.817 0 40 FHAB O=C(CSc1ccc2c(c1)OCCO2)N1CCC[C@H]1c1cccs1 24631989 MTENBFYDYCTJJN-AWEZNQCLSA-N 361.488 3.975 0 40 FHAB COC(=O)Cc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1 24970975 CSXSXSIVJBKWEF-UHFFFAOYSA-N 358.444 3.839 0 40 FHAB Cc1cc(CN(C)C(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)no1 25136935 COFVKJBDKNFAAE-UHFFFAOYSA-N 372.856 3.770 0 40 FHAB CSCc1nc2ccccc2n1CC(=O)NCCc1cccc(Cl)c1 25716993 MCXHNZXNRDOYGV-UHFFFAOYSA-N 373.909 3.912 0 40 FHAB COCCNC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 28490022 QZOKUPIRQHWEGT-UHFFFAOYSA-N 358.488 3.844 0 40 FHAB CCOc1ccc(CN(C)C(=O)c2cc3ccc(OC)cc3[nH]2)cc1OC 29001543 VIFFIVSWNYWGIE-UHFFFAOYSA-N 368.433 3.856 0 40 FHAB C[C@@H](Nc1ccc2c(c1)OC(F)(F)O2)C(=O)Nc1ccc(F)cc1F 30005915 VIBGCLGJCRALNJ-MRVPVSSYSA-N 356.275 3.725 0 40 FHAB O=S(=O)(NCc1csc(Br)c1)c1ccc(Cl)s1 30444769 UYGLWLTWHDDNBY-UHFFFAOYSA-N 372.718 3.704 0 40 FHAB O=C(CSc1nc2ccccc2o1)NCc1nc2ccccc2s1 30971592 BXJQUOYJBPIVPX-UHFFFAOYSA-N 355.444 3.846 0 40 FHAB Cc1cc(NC(=O)CCc2ccc3c(c2)OCO3)n(Cc2ccccc2)n1 32754181 SRUCYKCVBMJIIH-UHFFFAOYSA-N 363.417 3.540 0 40 FHAB COc1ccccc1CC(=O)NCc1cccnc1Oc1cccc(F)c1 32924691 RJSJCFJSTAYYAL-UHFFFAOYSA-N 366.392 3.881 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)CSCc1cc(=O)n2ccccc2n1 33026678 QCUWGGKQXNJURM-UHFFFAOYSA-N 373.865 3.528 0 40 FHAB Cc1cccc(CC(=O)N2CCC(c3nnc(-c4ccco4)o3)CC2)c1 38518358 FJBXZIQNRFMXJP-UHFFFAOYSA-N 351.406 3.587 0 40 FHAB CNC(=O)C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1 40023402 FXXDNNZZOCUJIM-UHFFFAOYSA-N 362.882 3.667 0 40 FHAB CCn1c(C)cc(C(=O)CS(=O)(=O)Cc2ccc(F)cc2Cl)c1C 40070019 YEECYKKXNUMXNR-UHFFFAOYSA-N 371.861 3.715 0 40 FHAB Cc1cc(=O)oc2ccc(OCC(=O)N3CCCCc4ccccc43)cc12 40133995 MTDQIQWECDZGRA-UHFFFAOYSA-N 363.413 3.850 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC[C@@H]2c2ccsc2)c1C 40154228 UUDFSYIMQNPLGD-DZGCQCFKSA-N 360.479 3.888 0 40 FHAB NC(=O)N[C@@H](CC(=O)Nc1cccc2c1CCCC2)c1ccccc1Cl 40159400 NXBVUKZJFAYCCI-SFHVURJKSA-N 371.868 3.957 0 40 FHAB C[C@H]1CCC[C@@H](C)N1C[C@H](O)COCCOC12CC3CC(CC(C3)C1)C2 41689961 OOGFLUIOEMMFGW-PXXWCDJASA-N 365.558 3.612 0 40 FHAB O=C(NCCc1ccc2c(c1)OCO2)Nc1ccccc1OC(F)(F)F 43879192 CJAVXHNAXANVBY-UHFFFAOYSA-N 368.311 3.678 0 40 FHAB CC[C@@H]1CCCCN1CCCNC(=O)CSCc1ccc(F)cc1 44899986 JLVGFYLSRBOWKS-GOSISDBHSA-N 352.519 3.830 0 40 FHAB Cc1ccc(OCC(=O)Nc2c(C)cc3nc(NN)sc3c2C)c(C)c1 45890114 FXLBAZMKVAQILV-UHFFFAOYSA-N 370.478 3.833 0 40 FHAB CC[C@H]1CCc2nc(NC(=O)Cn3ccc(C(F)(F)F)n3)sc2C1 46783993 FQFRGKRGSKQZJR-VIFPVBQESA-N 358.389 3.512 0 40 FHAB C[C@H](NC(=O)CCCOc1ccccc1Br)c1cccnc1 47752313 DGCLKCVWRKYBPU-ZDUSSCGKSA-N 363.255 3.881 0 40 FHAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(Br)cc1Cl 48167149 TUPZFJGAJGKAMV-UHFFFAOYSA-N 368.614 3.761 0 40 FHAB CCc1[nH]c(C(=O)N2CCc3sccc3[C@@H]2CC)c(C)c1C(=O)OC 48290972 CGERBHAAFJRBSD-AWEZNQCLSA-N 360.479 3.883 0 40 FHAB COc1cc(NC(=O)CN(C2CC2)[C@H]2CCc3ccccc32)cc(OC)c1 48303168 FLQXHAUZBHIHEQ-NRFANRHFSA-N 366.461 3.794 0 40 FHAB COC(=O)C[C@@H]1CCCCN1C(=O)/C=C/c1cccc(Cl)c1Cl 48354544 HOGGJWDVCOZKOD-XEHSLEBBSA-N 356.249 3.951 0 40 FHAB CC(C)(C)c1cnc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)o1 53049985 KVZNXYUMTQKOFF-UHFFFAOYSA-N 373.472 3.640 0 40 FHAB CCSc1cc(C(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)ccn1 54078933 FHIFSFVEZWSJAB-GFCCVEGCSA-N 355.463 3.569 0 40 FHAB CCc1cc(=O)n(CC(=O)Nc2ccc(C)c(C)c2)c(-c2ccccc2)n1 57527392 VGJZXIUBJSEGPK-UHFFFAOYSA-N 361.445 3.728 0 40 FHAB FC(F)CN1CCC(NCc2c[nH]nc2-c2cc3ccccc3o2)CC1 57977585 OQWCETLDGKWBMJ-UHFFFAOYSA-N 360.408 3.642 0 40 FHAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)c1cc(Cl)ccc1Cl 57995239 GPZWGKNVJAJDJX-MRXNPFEDSA-N 363.244 3.524 0 40 FHAB O=C(c1cc(Cl)cc(Cl)c1)N1CCCN(CC(F)(F)F)CC1 58795125 VWIBDUDJDXLLNX-UHFFFAOYSA-N 355.187 3.704 0 40 FHAB COc1ccnc(NCC2(c3ccc(Cl)cc3Cl)CCOCC2)n1 71824063 FZRXTZOETIWKTB-UHFFFAOYSA-N 368.264 3.952 0 40 FHAB CN(C)C(=O)c1ccccc1NC(=O)c1cc2ccccc2c(Cl)n1 71843932 CNRYOICSAWKSMA-UHFFFAOYSA-N 353.809 3.842 0 40 FHAB Cc1ccc(S(=O)(=O)N2CC(Cc3c(F)cccc3Cl)C2)cc1 71924173 UGCJLKYDAVPRGU-UHFFFAOYSA-N 353.846 3.651 0 40 FHAB Fc1c(Cl)cccc1Cn1nc(Br)nc1Br 71978760 DQMDTRIFBQXICO-UHFFFAOYSA-N 369.419 3.644 0 40 FHAB CCC[C@H]1CCN(C(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)C1 76091525 NMKWIXYKOPMHSL-YXBWYFRISA-N 354.494 3.587 0 40 FHAB COc1ccccc1NC(=O)Cc1noc([C@@H]2C[C@H]2c2ccccc2C)n1 77967669 LWWJNXDAFPIUPJ-JKSUJKDBSA-N 363.417 3.839 0 40 FHAB C[C@H]1CN(c2ccc(CNc3ccc4ccc(F)cc4n3)cn2)CCO1 78903782 PAJVEPQEQRVOGS-AWEZNQCLSA-N 352.413 3.606 0 40 FHAB CC[C@@H](C)[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)O 80359276 SBKQMWFYTHNZEP-MEBBXXQBSA-N 366.870 3.622 0 40 FHAB Cc1cccc(CN2CC[C@]3(CCN(Cc4ccc(F)cc4)C3)C2=O)c1 96077346 SNGOTXBYCFKBPD-QFIPXVFZSA-N 352.453 3.759 0 40 FHAB O=S1(=O)C[C@H]2[C@H]1[C@]1(c3ccccc3)O[C@]2(c2ccccc2)c2ccccc21 100498864 OTRXFUPTBFSOCH-MYDTUXCISA-N 374.461 3.631 0 40 FHAB CC1(C)CC2=C(CC[C@]3(O2)C(=O)CC(C)(C)N([O])C3(C)C)C(C)(C)N1[O] 100741035 QDAFKIPHFUVRPG-FQEVSTJZSA-N 364.486 3.576 0 40 FHAB Cc1ccc(C)c2c1s/c(=N\C(=O)c1cc(=O)c3ccccc3o1)n2C 100908831 YWZFARUOGIUABH-MRCUWXFGSA-N 364.426 3.704 0 40 FHAB O=S(=O)(NC[C@H]1CCOc2ccccc21)c1ccccc1C(F)(F)F 108875317 UIHNLGHEUXKXHL-GFCCVEGCSA-N 371.380 3.550 0 40 FHAB COc1cc2c(cc1S(=O)(=O)N[C@H](C)CCc1ccccc1)CCCC2 222572388 SNMGXRURBFJHCH-MRXNPFEDSA-N 373.518 3.874 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 223186692 GRBLWQYEQUZRLM-LJQANCHMSA-N 372.896 3.744 0 40 FHAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCCCCC2)c1 223934650 CEPQFQXVIVEABL-UHFFFAOYSA-N 372.490 3.812 0 40 FHAB COc1ccc(OC)c(C[C@H](Oc2cccc3ccccc23)C(=O)O)c1 225115907 AGUXJZRPMLNWSV-FQEVSTJZSA-N 352.386 3.932 0 40 FHAB Cc1ccc(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)C)cc1 225511397 WVJYCXFXMNQJFH-IBGZPJMESA-N 366.505 3.788 0 40 FHAB Cc1cccc(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)C)c1 225515651 RWVKAJCLMJEHSO-IBGZPJMESA-N 366.505 3.788 0 40 FHAB COC(=O)c1cccc(NC(=S)N[C@@H](C)COc2ccccc2C)c1 225636490 KCAFLFWXABYJPW-AWEZNQCLSA-N 358.463 3.536 0 40 FHAB COc1ccc(-c2noc(CN(C)C(=O)c3cc(C)c(C)cc3C)n2)cc1 225652948 XRFOQMSCJBGORY-UHFFFAOYSA-N 365.433 3.943 0 40 FHAB Cc1ccc(C(=O)N2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)cc1 243215892 KHUCKLNYSOBKFD-QGZVFWFLSA-N 350.462 3.725 0 40 FHAB COc1ccccc1CN1Cc2cccn2[C@H](COCc2ccccn2)C1 248131351 KMYTXKBHPOMDNQ-NRFANRHFSA-N 363.461 3.665 0 40 FHAB O=C(O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252515890 OIQJDMWYERKYRS-RBSFLKMASA-N 371.241 3.634 0 40 FHAB Cn1cnnc1[C@@H]1CCCN1Cc1ccc(-c2ccccc2C(=O)O)cc1 257219994 DJDFUNNDHJBLSI-IBGZPJMESA-N 362.433 3.517 0 40 FHAB Fc1ccc(CN2C[C@@H]3Cc4cnc(NCc5ccccc5)nc4[C@H]3C2)cc1 306133502 MNHVZYJNBPGKFF-FPOVZHCZSA-N 374.463 4.000 0 40 FHAB Cn1ccc([C@@H]2CCCN(C(=O)c3ccccc3C(=O)c3ccccc3)C2)n1 390828147 ADIDGZJCNXDRKT-GOSISDBHSA-N 373.456 3.671 0 40 FHAB CC[C@H](C)NC(=O)c1cc2c(N3CCCC3)nc(SC)nc2s1 408622363 PVGCYBBJMKWTPG-JTQLQIEISA-N 350.513 3.542 0 40 FHAB CCC(=O)Nc1ccc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc1 408623998 WFXCWJZLUUPKSY-UHFFFAOYSA-N 370.302 3.852 0 40 FHAB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C)c1 408986677 CVKNZOVMVPFABZ-LJQANCHMSA-N 365.433 3.772 0 40 FHAB O=C(NC[C@@H](c1cccs1)n1cccn1)c1ccccc1C(F)(F)F 575614489 URBJOLHJLUTTMB-AWEZNQCLSA-N 365.380 3.983 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)CCCCCn1cccc1)c1ccccc1 604418709 NYVDLDUGRWCIAX-FQEVSTJZSA-N 350.466 3.688 0 40 FHAB CN(C)c1cccc([C@H]2CCCN2C(=O)c2ccc3c(c2)CCC(=O)N3)c1 605132526 XVOXHGDWBSOGQF-HXUWFJFHSA-N 363.461 3.615 0 40 FHAB CC1(C)Cc2ccc(Cl)c(NC(=O)Nc3cnn(CCF)c3)c2O1 626551718 ROFBMCUJKDPSMI-UHFFFAOYSA-N 352.797 3.864 0 40 FHAB O=C(O)c1ccccc1-c1ccccc1C(=O)NCC[C@@H]1CCCOC1 630229834 ZQCLHUUETHLAEZ-HNNXBMFYSA-N 353.418 3.598 0 40 FHAB C[C@H]1Oc2ccccc2CCCCC2(CCN(CC3CC3)CC2)CNC1=O 643563632 HLYYROJVCNRBDV-GOSISDBHSA-N 370.537 3.789 0 40 FHAB O=C(c1cccc(Cl)c1)N1CCc2onc(COc3cccnc3)c2C1 2055713458 RZJWGWNURIOIGH-UHFFFAOYSA-N 369.808 3.501 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2)c1 793056 LOEDJZKYTWASQX-UHFFFAOYSA-N 366.870 3.623 0 40 FHAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3ccco3)C(=O)[C@H]12 840485 ZDDKSSYMZSIYSA-ZRDDSIGQSA-N 369.420 3.846 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CCn1c-3nc2sc(C)c(C)c2c1=O 847308 SNXIQJVRTHOESB-UHFFFAOYSA-N 351.431 3.788 0 40 FHAB CCOc1ccc(-c2c(C)sc3ncn([C@H](C)C(C)=O)c(=O)c23)cc1 958897 FOTLNSDXGJZAKK-LLVKDONJSA-N 356.447 3.982 0 40 FHAB CCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3nc(C)cs3)coc2c1 1508902 ZRHLPGYJEGITCS-LLVKDONJSA-N 359.403 3.555 0 40 FHAB biogenic Cc1cc(C)nc(-n2ncc3c2C[C@H](c2ccc(Cl)cc2)CC3=O)n1 2225912 MOSBQDOADSLKOJ-AWEZNQCLSA-N 352.825 3.845 0 40 FHAB CCOc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cc1 2747905 OCQIYLCSINRODN-UHFFFAOYSA-N 353.344 3.817 0 40 FHAB CCCn1c(C)cc(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c1C 3431320 MIXVAJXGCTUWOR-UHFFFAOYSA-N 357.845 3.705 0 40 FHAB CCOc1ccccc1-n1nnnc1SCc1ccc(OC)c(F)c1 3515740 VZCLPDOJQJSUHR-UHFFFAOYSA-N 360.414 3.501 0 40 FHAB O=C(OCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1Cl 3867041 MNWMHAATVYOZNC-UHFFFAOYSA-N 374.849 3.874 0 40 FHAB CCOc1cccc2cc(-c3cc(=O)oc4cc(OC)ccc34)c(=O)oc12 4339987 YFCUMVBQRFCDJF-UHFFFAOYSA-N 364.353 3.974 0 40 FHAB biogenic CCOC(=O)c1cnc2c(C)cc(C)cc2c1N(C)C1CCN(C)CC1 4749814 YRPNZNYMTAVATQ-UHFFFAOYSA-N 355.482 3.559 0 40 FHAB CCc1cc2ccc(OC)cc2nc1SCC(=O)Nc1nnc(C)s1 4849400 QTYXJPYGNIZVAM-UHFFFAOYSA-N 374.491 3.697 0 40 FHAB CCOC(=O)[C@H]1C(=O)C[C@@](O)(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 4901012 DDDMZQZGOCQJOC-YFVAEKQCSA-N 372.848 3.854 0 40 FHAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 5015879 BGKTVTBWQZOJCS-UHFFFAOYSA-N 365.433 3.921 0 40 FHAB Cc1ccc(C(=O)N2N=C(c3ccc(F)cc3)C[C@@]2(O)C(F)(F)F)cc1 5101093 QTOAKCILRVXINH-QGZVFWFLSA-N 366.314 3.635 0 40 FHAB Cc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)cc2)s1 5150411 KJQDSQWJDHHQHX-UHFFFAOYSA-N 365.838 3.855 0 40 FHAB O=C(CCCCCn1nnc2ccccc2c1=O)Nc1ccc(Cl)cc1 5203907 IJYMVOWNUHTGOO-UHFFFAOYSA-N 370.840 3.644 0 40 FHAB C[C@@H](OC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1 5668367 VZOQCZVBKZLYIC-GFCCVEGCSA-N 351.324 3.818 0 40 FHAB Cc1[nH]c2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2c1C 5700876 BOXLIOMBFOJMJZ-UHFFFAOYSA-N 351.425 3.886 0 40 FHAB O=C(CCCC(=O)OCC(F)(F)F)NCc1ccc(Cl)cc1Cl 6224500 MEZOFMQTQZZJEG-UHFFFAOYSA-N 372.170 3.885 0 40 FHAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)C12CC3CC(CC(C3)C1)C2 6639540 DLNRDXSDDUFQLG-UHFFFAOYSA-N 369.433 3.838 0 40 FHAB CC(C)Cn1nc(C(=O)Nc2ccccc2Cl)c2ccccc2c1=O 6653957 HXPWKXBNXLYWIY-UHFFFAOYSA-N 355.825 3.958 0 40 FHAB C[C@@H](OC(=O)C(C)(C)Oc1ccc(F)cc1)c1nc2ccccc2c(=O)[nH]1 6976232 MHXJRCZQNMKORY-GFCCVEGCSA-N 370.380 3.524 0 40 FHAB COc1ccc(S(=O)(=O)NCCSCc2ccco2)cc1C(C)C 8041008 KYJXXBOWLCTEOJ-UHFFFAOYSA-N 369.508 3.623 0 40 FHAB CCOc1ccc(-c2nc3cc(OC)c(OC)cc3c(=O)o2)cc1Cl 8908653 BJOBKLJWKYGVBI-UHFFFAOYSA-N 361.781 3.924 0 40 FHAB CSc1ccccc1C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 9157718 JGVNUGACHBJMTL-UHFFFAOYSA-N 372.465 3.713 0 40 FHAB Cc1c(C(=O)OCC(=O)c2ccc(Cl)s2)[nH]c2c1C(=O)CCC2 10029349 HJGSVGUARNDHQL-UHFFFAOYSA-N 351.811 3.597 0 40 FHAB CCn1c2ccccc2c2cc(CN3CCc4nc(C)[nH]c(=O)c4C3)ccc21 12117854 AKHVLNUZDHDWIE-UHFFFAOYSA-N 372.472 3.764 0 40 FHAB CC[C@@H]1c2ccc(C)n2CCN1C(=O)c1cc2ccc(OC)cc2n1C 12148694 HSGHRKGFXIGTCX-QGZVFWFLSA-N 351.450 3.904 0 40 FHAB COc1ccc(CN2CCc3sccc3[C@H]2C)cc1CN1CCOCC1 12241060 GXNNYJUIGJTLDU-MRXNPFEDSA-N 372.534 3.708 0 40 FHAB O=C1NC(=O)/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)N1 12428588 JETUHLPEYPCRSX-WDZFZDKYSA-N 367.586 3.543 0 40 FHAB C[C@@H]1CCC[C@@H](NC[C@@H](O)COCCOc2ccc(Cl)cc2)[C@@H]1C 12549375 OSISLWGQAJWPLM-FXRXJOCMSA-N 355.906 3.511 0 40 FHAB C[C@@H]1CCCN(C(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)C1 12601761 ISEKZURPHDKEEV-YGRLFVJLSA-N 372.412 3.767 0 40 FHAB Cc1ccccc1/C=C/C(=O)N1CCC(C(=O)NCc2ccccc2)CC1 12805739 XZZPIQKSTNDSEU-VAWYXSNFSA-N 362.473 3.563 0 40 FHAB Cc1noc(C)c1CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 12920049 LDAHRGTXYFOJQW-UHFFFAOYSA-N 364.327 3.677 0 40 FHAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@@H]1CCCN(c2ncccn2)C1 12934904 LYYINPQWQOTVLN-GOSISDBHSA-N 366.509 3.649 0 40 FHAB COC(=O)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1 15019133 OITVAZQDFXVYBC-MHWRWJLKSA-N 371.389 3.849 0 40 FHAB O=c1c2c(-c3ccccc3)csc2ncn1Cc1nnsc1Cl 21240272 ZMFYUXDZVQEYGH-UHFFFAOYSA-N 360.851 3.678 0 40 FHAB Cc1nn(-c2nc3ccccc3[nH]2)c2c1[C@H](c1ccc(F)cc1)CC(=O)N2 21660685 LCFXAQXXGVOMRH-AWEZNQCLSA-N 361.380 3.670 0 40 FHAB Cc1cccc(OCCNC(=O)COc2ccc(Cl)cc2Cl)c1 21769470 FEFIECOTMYRFEV-UHFFFAOYSA-N 354.233 3.876 0 40 FHAB CSc1ccc([C@H](C)NC(=O)c2cn(C)c3ccc(F)cc3c2=O)cc1 22236580 NHIDJTRLISRNQU-LBPRGKRZSA-N 370.449 3.891 0 40 FHAB COc1ccc2cc(COC(=O)c3c(C)cc(=O)oc3C)c(Cl)nc2c1 26012997 MXKWCTYNXFXGRS-UHFFFAOYSA-N 373.792 3.824 0 40 FHAB CC(=O)c1ccc(NC(=O)CCN2CCCc3cc(F)c(F)cc32)cc1 26344810 DISJARBOZSHCIN-UHFFFAOYSA-N 358.388 3.949 0 40 FHAB CCOc1ccc(-c2noc(CNc3cc(C(=O)OC)ccc3C)n2)cc1 26781701 UCXKDIHXECUYBB-UHFFFAOYSA-N 367.405 3.842 0 40 FHAB CN1C(=O)[C@]2(OCC(Br)=C2c2ccccc2)c2ccccc21 26897463 DMKWFIPFLPRDRH-SFHVURJKSA-N 356.219 3.695 0 40 FHAB COc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)c1 27581485 UCFDYURNNBDNGS-IBGZPJMESA-N 358.869 3.916 0 40 FHAB biogenic CC(C)CN1C[C@H](C(=O)Nc2ccc(Nc3ccccc3)cc2)CC1=O 29763214 POEVYDPEDRUBCD-MRXNPFEDSA-N 351.450 3.873 0 40 FHAB COc1cc(CCC(=O)N(C)Cc2ccccc2C)cc(OC)c1OC 30887403 DFBLFUMJJSWYPH-UHFFFAOYSA-N 357.450 3.612 0 40 FHAB COCCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nc(C)c1C 32893846 VMLMZDWYJRMLLG-UHFFFAOYSA-N 371.865 3.670 0 40 FHAB Cc1c(C(=O)N(C)[C@@H](C)C2CC2)cnn1-c1ccc(Br)cc1 32909722 RBYFBXHCWSGGDK-NSHDSACASA-N 362.271 3.814 0 40 FHAB Cc1ccc(C(C)C)c(OCC(=O)N2CCN(Cc3ccccc3)CC2)c1 39842764 SFHAIWYOBNXRRD-UHFFFAOYSA-N 366.505 3.842 0 40 FHAB Cc1ccc(-c2noc(CCC(=O)N3CCC[C@@H]3c3ccncc3)n2)cc1 40050703 RNOLEJFJDRLAHG-GOSISDBHSA-N 362.433 3.736 0 40 FHAB CCCN(Cc1ccccc1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 40104074 RBQYUWPVLZUPNR-UHFFFAOYSA-N 366.509 3.883 0 40 FHAB O=C(NCc1ccc(N2CCCC2)nc1)c1cnc(-c2ccccc2)s1 40106608 SNZHZHRKHJUJKR-UHFFFAOYSA-N 364.474 3.735 0 40 FHAB Cc1c(C(=O)Nc2cccc(N3CCNC3=O)c2)oc2c(F)cccc12 40108564 ZWPUKVJFUZWWMB-UHFFFAOYSA-N 353.353 3.662 0 40 FHAB O=C(c1ccccc1)N1CCN(C(=O)c2ccccc2-c2ccccc2)CC1 40159613 LSNTYIWCVLINIR-UHFFFAOYSA-N 370.452 3.952 0 40 FHAB CC(C)(C)c1cc(-c2nn3c(Cc4ccc(F)cc4)nnc3s2)n[nH]1 40284757 RKKUQSAZUIZVRN-UHFFFAOYSA-N 356.430 3.603 0 40 FHAB CCN1CCC(NC(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)CC1 43292504 ONCSMODBZKDIKR-UHFFFAOYSA-N 370.472 3.590 0 40 FHAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)N(C)Cc2sccc2C)cc1 51873941 PGMMWIKUKVXNII-UHFFFAOYSA-N 372.519 3.945 0 40 FHAB COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1nc(C)c(C)s1 55006456 YNTGXPAPSPGMAS-LLVKDONJSA-N 350.465 3.666 0 40 FHAB Cc1ccc(-c2csc(NC(=O)COc3ccc(C=O)cc3)n2)cc1 57464609 VGXCIQMDMDDCKH-UHFFFAOYSA-N 352.415 3.949 0 40 FHAB CCn1c(CN2CCC(O)(c3ccc(F)cc3)CC2)nc2ccccc21 57823245 PFROBFLUELOLLC-UHFFFAOYSA-N 353.441 3.679 0 40 FHAB C[C@@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(Cl)cc1 57876969 ASBVSTNMUSDXPK-CYBMUJFWSA-N 371.868 3.522 0 40 FHAB O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccccc1N1CCOCC1 61134897 VOBGMRRKEYWWIG-QGZVFWFLSA-N 372.465 3.629 0 40 FHAB C[C@](O)(CCc1ccccc1)CNS(=O)(=O)c1cccc2ccccc12 62021475 GMZUFZWDCHMZHK-NRFANRHFSA-N 369.486 3.502 0 40 FHAB O=C(Nc1ccsc1C(=O)Nc1cccc(Cl)c1)c1cnccn1 67335999 JEAZIHXMRUNCHE-UHFFFAOYSA-N 358.810 3.696 0 40 FHAB COc1ccc(-c2nc(-n3cccc3)sc2C(=O)NCC(C)C)cc1 71279745 BTLOGISVFBTPBL-UHFFFAOYSA-N 355.463 3.995 0 40 FHAB COc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccc(C(F)(F)F)cc2)cc1Cl 72227936 REVINFKQSPRNON-HUUCEWRRSA-N 370.758 3.783 0 40 FHAB CN(C(=O)Nc1ccccc1OC(F)F)[C@H](CCO)c1ccccc1 79101046 YOHIFEVCOSVYGY-OAHLLOKOSA-N 350.365 3.875 0 40 FHAB FC(F)(F)c1ccnc(N[C@H](c2ccc3c(c2)OCCO3)C2CC2)n1 79859972 PDNATNGPZLBCJO-HNNXBMFYSA-N 351.328 3.830 0 40 FHAB C[C@@H]1c2cccn2CCN1CC(=O)NCC(c1ccccc1)c1ccccc1 85433837 KSWIYQDSPNPEDU-LJQANCHMSA-N 373.500 3.813 0 40 FHAB Cc1nc(C2CCCC2)sc1C(=O)N[C@@H](C)[C@H](O)Cc1ccccc1 89559305 VPXPUTVHRHTBHG-SUMWQHHRSA-N 358.507 3.831 0 40 FHAB O=C(NCc1cccs1)N1CCC(Oc2ncccc2Cl)CC1 96024840 VMEFRSSAQAHDFV-UHFFFAOYSA-N 351.859 3.550 0 40 FHAB O=C(C1CC1)N1C[C@H]2Cc3c(c(-c4ccc(F)cc4)nn3CC3CC3)[C@H]2C1 96145645 SXKOITNCYHZYHU-AEFFLSMTSA-N 365.452 3.607 0 40 FHAB COc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccc(C)cc2)C3)cc1 96269245 NDMLQMQZJIQOPL-FQEVSTJZSA-N 363.461 3.556 0 40 FHAB biogenic,in-vitro COc1ccccc1N1C(=O)C[C@H](Nc2cccc(Cl)c2Cl)C1=O 96301214 FYXHSWTUOFEEFU-LBPRGKRZSA-N 365.216 3.746 0 40 FHAB CC(C)Oc1cccc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2cccnc2)c1 100148668 UKBREXZLORDYGV-SFTDATJTSA-N 366.505 3.989 0 40 FHAB OCCCc1nc2n(n1)[C@@H](c1ccco1)C=C(c1ccc(Cl)cc1)N2 100635035 DFFPPAWGPVCGLF-OAHLLOKOSA-N 356.813 3.505 0 40 FHAB COc1ccc([C@@H]2CCCN2CC(=O)N[C@@H]2CCCC[C@@H]2C)cc1OC 105633542 GMJLZJAHZJNDSD-JQHSSLGASA-N 360.498 3.536 0 40 FHAB O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2CN(CCCc3ccccc3)[C@@H]2C1 107249356 LARNIUFPZLBEBH-PZJWPPBQSA-N 368.908 3.658 0 40 FHAB COCc1ccccc1NC(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C 108150379 KRUPRHSWUHGQLY-ROUUACIJSA-N 367.493 3.960 0 40 FHAB Cc1ccc(S[C@@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)cc1 216343925 URQDYQVTQCFGLC-INIZCTEOSA-N 351.475 3.978 0 40 FHAB CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 222755471 DHNYJTRPCXTOCC-IRXDYDNUSA-N 369.881 3.523 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1cc(C)cc(C)c1 222984633 PTOQQWYKMFYEEQ-KRWDZBQOSA-N 370.468 3.538 0 40 FHAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCCC(C)C 223125413 QRYDIQRZESKPDD-AQTBWJFISA-N 356.491 3.990 0 40 FHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)[nH]1 223449978 LDEXVPOYBXIDBB-RBUKOAKNSA-N 363.490 3.594 0 40 FHAB CC[C@@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(OC)c(C)c1 224714374 FSNDRAVDERQNMQ-GOSISDBHSA-N 369.461 3.975 0 40 FHAB COc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 225156816 UBECNGWJNZWZIS-MRXNPFEDSA-N 369.461 3.537 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)COc2cccc3c2CCCC3)c1 225355221 RSSQQUVUOIRHOJ-HNNXBMFYSA-N 369.461 3.839 0 40 FHAB CCCOC1(C(=O)Nc2ccc(OCC)c(C(=O)OCC)c2)CCCC1 225849664 HXNZOBJTFNHSFQ-UHFFFAOYSA-N 363.454 3.940 0 40 FHAB O=S(=O)(Cc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)s1 225859648 SXGBOTZZDDDCDC-UHFFFAOYSA-N 365.867 3.800 0 40 FHAB O=C(CC1CCOCC1)N1CCC[C@H](Cc2cccc3cccnc23)C1 257207665 BIRCXYLDUQHJLM-GOSISDBHSA-N 352.478 3.833 0 40 FHAB Cc1ccc([C@@H]2COCCN2C(=O)Nc2cn(C)nc2C2CCCCC2)o1 296914558 DKDBHEODPBBLEQ-KRWDZBQOSA-N 372.469 3.975 0 40 FHAB COc1ccc(CN2C[C@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)cc1 306134158 NEULACFYEOXMDG-UXHICEINSA-N 359.473 3.863 0 40 FHAB CC(C)Oc1cccc(C(=O)[C@H](Br)CBr)c1 382673287 FUCSZNMXKNAYMV-LLVKDONJSA-N 350.050 3.815 0 40 FHAB COc1ccc([C@@H](NC(=O)NCc2ccc(Cl)s2)C2CC2)cn1 527650491 AWCLTFIUYJICED-HNNXBMFYSA-N 351.859 3.756 0 40 FHAB CC(C)(C)n1nnc(CN[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)n1 623755962 NWVSUFICQVHETM-HNNXBMFYSA-N 358.877 3.730 0 40 FHAB O=C(NCc1cccnc1O)NC1(c2cccc(C(F)(F)F)c2)CCC1 637523664 QWXZTNKJGHSQDN-UHFFFAOYSA-N 365.355 3.685 0 40 FHAB CCc1nc(-c2ccccc2NC(=O)[C@H]2C[C@@]23CCOc2ccccc23)n[nH]1 677366718 VGBCMYKTCDETJN-OPAMFIHVSA-N 374.444 3.713 0 40 FHAB CC1(C)C[C@]2(CCCN2C(=O)CN2CCCCC2)CN1c1ccc(F)cc1 1615157947 OYTTWEZMLMRRAJ-JOCHJYFZSA-N 373.516 3.662 0 40 FHAB O=S(=O)(Cc1cc(F)ccc1F)NCc1cc(-c2ccco2)cs1 1775968671 KEDSCOCKYASUBK-UHFFFAOYSA-N 369.414 3.906 0 40 FHAB Cc1ccnc(N2CCC(CN(C)c3cc(C(F)(F)F)ccn3)CC2)n1 1888849361 AHAKXPLNOVYWBN-UHFFFAOYSA-N 365.403 3.552 0 40 FHAB CC(C)[C@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)c2ccccc2C1=O 715347 WFBNXZWCTSYSPW-MRXNPFEDSA-N 356.809 3.599 0 40 FHAB CCC(C)(C)C1CCC(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1 9577862 IIADMZQTNQIXSW-UHFFFAOYSA-N 369.509 3.967 0 40 FHAB CCOc1ccc2nc(NC(=O)c3ccc4c(c3)OCCO4)sc2c1 1518008 OPFFGHPIHFOSMH-UHFFFAOYSA-N 356.403 3.719 0 40 FHAB COc1ccc(C(=O)c2ccc(Br)cc2)c(OC)c1OC 1678816 YPFLNXZMRKEHPL-UHFFFAOYSA-N 351.196 3.706 0 40 FHAB C[S@@](=O)c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1F 78879223 IZQHVVOJTRQLJW-DEOSSOPVSA-N 361.316 3.714 0 40 FHAB COC(=O)N(C)CC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 41613190 IJEJBSSHMRNPIN-UHFFFAOYSA-N 355.419 3.600 0 40 FHAB CCc1cccc(C)c1NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 628142 FEWXHFQRGMBFDI-UHFFFAOYSA-N 374.506 3.579 0 40 FHAB O=C(Nc1cccc(Cl)c1F)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 23112841 KIENWJISNQYQGW-CQSZACIVSA-N 372.827 3.959 0 40 FHAB CCc1nc2sc(C(=O)c3ccc4c(c3)OCCO4)c(N)c2cc1C 968916 RBZXXVIQWIAGPS-UHFFFAOYSA-N 354.431 3.752 0 40 FHAB COc1cccc2c1N(C(=O)c1ccc(OCC(F)(F)F)nc1)CCC2 47447549 CULUWKYXFOMWFM-UHFFFAOYSA-N 366.339 3.624 0 40 FHAB O=C(Nc1cc(F)ccc1F)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 21844199 IUIAGDWUSKJOHI-CYBMUJFWSA-N 362.351 3.595 0 40 FHAB O=C(Cn1nnc2ccccc21)N(Cc1cccs1)Cc1cccs1 24060302 FDUMLKAATACRAA-UHFFFAOYSA-N 368.487 3.783 0 40 FHAB O=C([C@@H]1CCCN(Cc2ccccc2Br)C1)N1CCCCC1 1287670 SHZMPDKQARDFJQ-MRXNPFEDSA-N 365.315 3.674 0 40 FHAB CC1CCN([C@@H](CNC(=O)c2n[nH]c3ccccc23)c2cccs2)CC1 25139567 JZWTXJIDBXMJMB-KRWDZBQOSA-N 368.506 3.827 0 40 FHAB COc1cccc(OC)c1C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 1415258 YRRWBFRDLBRRKL-UHFFFAOYSA-N 360.435 3.568 0 40 FHAB O=C(Oc1ccccc1)c1ccccc1OS(=O)(=O)c1ccccc1 1844692 HZXYYXQPKZGMGE-UHFFFAOYSA-N 354.383 3.674 0 40 FHAB COCC(=O)Nc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1 44632066 LGFRHDCLEBWGGP-UHFFFAOYSA-N 358.463 3.854 0 40 FHAB O=C(NC[C@H]1CCCO1)c1cn(-c2ccccc2)nc1-c1cccs1 3209318 OJTXXIZUOCLOAX-OAHLLOKOSA-N 353.447 3.510 0 40 FHAB CCNc1nnc(S[C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)s1 12600800 URPCVJGMEBUJKX-MRVPVSSYSA-N 374.438 3.691 0 40 FHAB CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cc(Cl)c2c(c1)OCO2 58192015 ULXXBVUNYCMOFB-UHFFFAOYSA-N 368.723 3.558 0 40 FHAB O=C(Cc1noc2ccccc12)NCCCC(=O)Nc1ccc(Cl)cc1 58224575 ZSIAARJNRMTAQQ-UHFFFAOYSA-N 371.824 3.559 0 40 FHAB CCc1nnc(NC(=O)c2sc3nc(C)c4c(c3c2N)CCCC4)s1 2196666 JSZWFTJUVBYOSN-UHFFFAOYSA-N 373.507 3.732 0 40 FHAB CCCCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 2179236 KXFPWSVWICJPSI-NRFANRHFSA-N 368.502 3.991 0 40 FHAB Cc1cccc(N(CC(=O)c2ccc3c(c2)OCCO3)C2=NCCS2)c1 26442140 XYHULOLATPJWRV-UHFFFAOYSA-N 368.458 3.558 0 40 FHAB c1csc(-c2nc(CN3CCC[C@@H]3c3nnc4ccccn34)co2)c1 48280300 HWDOGFOXUOKXBL-CQSZACIVSA-N 351.435 3.783 0 40 FHAB O=C(COc1ccc(Cl)cc1)NC[C@H](c1ccco1)N1CCCCC1 3359723 YITGGRZZIXVZEW-QGZVFWFLSA-N 362.857 3.655 0 40 FHAB CSc1nc(C)c(CCC(=O)NCc2cc3ccccc3[nH]2)c(C)n1 58357653 SPOIFKWBCYMVHR-UHFFFAOYSA-N 354.479 3.546 0 40 FHAB COc1ccc2cc(C(=O)NCCc3c(F)cccc3F)c(C)nc2c1 58414835 KUUKKGUOYZDMSP-UHFFFAOYSA-N 356.372 3.803 0 40 FHAB CCC[C@@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C 10314711 LWUOMOJCRIOIQW-CQSZACIVSA-N 360.479 3.714 0 40 FHAB Cc1csc(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)n1 10554813 ZAWFXYLNWXWFAU-UHFFFAOYSA-N 355.448 3.563 0 40 FHAB COc1ccc(OCC(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)cc1 22533085 NDKBRCIVFBLKOG-FQEVSTJZSA-N 357.450 3.986 0 40 FHAB C[C@@H](c1ccc(F)cc1)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 12788716 DGIKYGAJVRAVDP-CABCVRRESA-N 369.440 3.582 0 40 FHAB Cc1nc(/C=C/C(=O)/N=c2\[nH]c3ccccc3n2-c2ccccc2)cs1 59310145 JVNGWSJBUDBLJY-VAWYXSNFSA-N 360.442 3.864 0 40 FHAB Cc1cccc(-c2nnc(S)n2CCC(=O)N2CCc3ccccc32)c1 12740470 DFXHJYOABLMDGA-UHFFFAOYSA-N 364.474 3.522 0 40 FHAB COc1ccc(-c2cnc3n2C[C@H]2CN(Cc4cccc(C)n4)C[C@@H]2C3)cc1 306144882 ZRJCNLGZPILAHR-RBUKOAKNSA-N 374.488 3.566 0 40 FHAB Cc1c(C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3)oc2c(F)cccc12 46224845 HPIPFFQVFWEFIQ-NSHDSACASA-N 352.365 3.866 0 40 FHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cc(F)c(F)c(F)c1F 3440862 DAQZJXLQVJAWES-UHFFFAOYSA-N 374.721 3.607 0 40 FHAB O=C(COC(=O)c1ccc(Br)cc1)Nc1c(F)cccc1F 3508763 HBBBKNZPVJTURG-UHFFFAOYSA-N 370.149 3.523 0 40 FHAB COc1ccc([C@@H](C)N(C)C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)cc1 12987226 RXTNRCZDYUEHQI-CYBMUJFWSA-N 368.412 3.557 0 40 FHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 13006664 OSYTXXIZUWFDCT-MAUKXSAKSA-N 353.466 3.510 0 40 FHAB O=C(Nc1ccc(N2CCC(O)CC2)cc1)Nc1cccc2cccnc12 65490753 ABXQAANVBBDGPC-UHFFFAOYSA-N 362.433 3.840 0 40 FHAB C[C@H](c1ccccc1)N(C)C(=O)CSc1ncn(-c2ccccc2)n1 14085532 JNGYMSQWRWBGDL-OAHLLOKOSA-N 352.463 3.579 0 40 FHAB Cc1cnc(NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc1C 301873228 JLGMRZWJRQXAGE-UHFFFAOYSA-N 351.376 3.588 0 40 FHAB O=C(CCCOc1cccc(Cl)c1Cl)N1CCCN2CCC[C@H]2C1 65610487 GJBZEENPRILFRO-AWEZNQCLSA-N 371.308 3.849 0 40 FHAB CCOc1ccccc1-c1nc(SCC(=O)Nc2cccc(C)c2)n[nH]1 408583878 YDGGWJUHAJBVHS-UHFFFAOYSA-N 368.462 3.910 0 40 FHAB CC(C)C(=O)Nc1ccc(C(=O)COc2ccc(-c3nnco3)cc2)cc1 14242699 TUTQMPODPVMFSC-UHFFFAOYSA-N 365.389 3.593 0 40 FHAB O=C(NCCCSc1ccccc1)c1cncc(Br)c1 6508203 WAPKGNOSYRYAKF-UHFFFAOYSA-N 351.269 3.756 0 40 FHAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(N2CCCC2)cc1 4703944 ICJHNFDYJTVDDS-UHFFFAOYSA-N 369.490 3.731 0 40 FHAB COc1ccc(-c2[nH]ncc2[C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 9337742 NGCFCGNXITXIEO-FQEVSTJZSA-N 360.417 3.814 0 40 FHAB C[C@H](NC(=O)Nc1nnc(C(F)F)s1)c1ccc2c(c1)OCCCO2 67586533 BAIIPGYFGYDVDH-QMMMGPOBSA-N 370.381 3.520 0 40 FHAB O=C1CN(C(=O)c2csc(-c3ccc(F)cc3)n2)c2ccccc2N1 15717537 JRWAXXRQBIKJNG-UHFFFAOYSA-N 353.378 3.548 0 40 FHAB COc1ccc2oc(C(=O)N(C)CC(=O)Nc3cccc(F)c3)c(C)c2c1 7406143 JNLFLRKWSKLSNQ-UHFFFAOYSA-N 370.380 3.600 0 40 FHAB Cc1ccc(CN(C)C(=O)CSc2ncnc3sc4c(c23)CCC4)o1 7480343 PUDZIUILSIABAL-UHFFFAOYSA-N 373.503 3.832 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cc(-c3c(C)cc(C)cc3O)n[nH]2)c1 15952785 WVTMLCXNVNLILT-UHFFFAOYSA-N 367.405 3.669 0 40 FHAB Cc1nnc(S/C(=C/c2ccccc2OCc2ccccc2)C(=O)O)[nH]1 9356885 DOAFYOMCGBIBHZ-GZTJUZNOSA-N 367.430 3.910 0 40 FHAB Cc1sc(-n2cccc2)c(C(=O)Nc2cccc(-c3nnn[nH]3)c2)c1C 9451739 FEBHMTQQEFSFEO-UHFFFAOYSA-N 364.434 3.588 0 40 FHAB O=C(Nc1ccccc1)c1ccc(Cn2nnc(-c3cccs3)n2)cc1 7984453 AMRYOWDCSABYTG-UHFFFAOYSA-N 361.430 3.702 0 40 FHAB COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)c1cc2ccccc2o1 9418336 YWOIYGPMFPZKPE-UHFFFAOYSA-N 364.357 3.962 0 40 FHAB COc1ccc2cc(C(=O)NC[C@H](c3ccccc3)N(C)C)c(C)nc2c1 16600048 BISKBOBQODJTQG-OAQYLSRUSA-N 363.461 3.585 0 40 FHAB C[C@@H](Sc1nnnn1Cc1cccs1)C(=O)c1ccc2c(c1)CCC2 8391663 KHUXWRBMYQUNNK-GFCCVEGCSA-N 370.503 3.635 0 40 FHAB Cc1c(-c2ccccc2)sc2ncn(CC(=O)N[C@H](C)C(C)C)c(=O)c12 17130451 CTZSDTVZQWBRCD-CQSZACIVSA-N 369.490 3.594 0 40 FHAB COc1ccc([C@H](C)NC(=O)c2cn[nH]c2-c2ccccc2)cc1OC 72328823 VTQIVICTRFXBPL-ZDUSSCGKSA-N 351.406 3.585 0 40 FHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)C1=C(Cl)CCCC1 95348452 QFQWLVJNYALZMW-UHFFFAOYSA-N 356.800 3.819 0 40 FHAB C[C@@H]1CN(C(=O)NCCc2c(F)cccc2F)C[C@H](c2ccccc2)O1 84714043 XHDOAFRSCMJRFB-AUUYWEPGSA-N 360.404 3.679 0 40 FHAB Cc1cnn(-c2ccc(C(=O)NCC3(c4ccncc4)CCCC3)cc2)c1 95453014 LGDCAXVPLRGCQC-UHFFFAOYSA-N 360.461 3.818 0 40 FHAB CC(C)(C)[C@H](CCO)NCc1nc(-c2ccc(C(F)(F)F)cc2)no1 95466600 JSOZPBJEFZLLCZ-ZDUSSCGKSA-N 357.376 3.642 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)NCc2ccc(CN3CCCC3)cc2)cc1 24114649 XCWYZDMDPYBUTB-GOSISDBHSA-N 352.478 3.675 0 40 FHAB CCN(C(=O)CSc1n[nH]c(COc2ccccc2)n1)c1ccccc1 408545946 AHOULCSEGVSPRZ-UHFFFAOYSA-N 368.462 3.529 0 40 FHAB O=C(Oc1cccc2cccnc12)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408658604 JUOCNXIKRKZNLA-CQSZACIVSA-N 366.804 3.847 0 40 FHAB CCSc1nsc(NC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)n1 32593831 AVXXSBMAFVEONW-UHFFFAOYSA-N 361.448 3.626 0 40 FHAB COc1cc(CNC(=O)c2ccco2)ccc1OCc1ccccc1F 72427741 ICTNZLZZOFCCLD-UHFFFAOYSA-N 355.365 3.936 0 40 FHAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(N2CCCC2=O)cc1 219562899 HEXNJAWHMWELJE-QGZVFWFLSA-N 368.433 3.618 0 40 FHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1nc(-c2cccs2)no1 219372057 IRGYIPVFBHTZMK-CQSZACIVSA-N 371.462 3.889 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CNc1cc(C(N)=O)c2ccccc2n1 32829114 CNPMZUAIFIJDCE-UHFFFAOYSA-N 371.444 3.748 0 40 FHAB COc1ccc(-c2noc(CN(C)C(=O)c3cc4ccccc4o3)n2)cc1 219950842 FTBSTTMVVUVZCD-UHFFFAOYSA-N 363.373 3.764 0 40 FHAB O=c1[nH]n(C2CCCC2)c2c1[C@@H](c1ccc(F)c(F)c1F)CC(O)=N2 71283246 ZIIFDADDYDGEJB-SNVBAGLBSA-N 351.328 3.832 0 40 FHAB Cc1ccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)cc1 225771813 TVWTUECANJPRLD-UHFFFAOYSA-N 369.534 3.955 0 40 FHAB CCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)c3ccccc32)cc1OC 45528964 JGADIHXABNCQFG-OQLLNIDSSA-N 371.820 3.948 0 40 FHAB COC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)COc2ccccc2C)c1 225635621 SSHGUKALMCIUKT-HNNXBMFYSA-N 372.490 3.844 0 40 FHAB COc1ccc(OC)c(CNC(=O)Nc2cccc(OC(F)F)c2)c1 47908796 URZFLYPHRKKTBS-UHFFFAOYSA-N 352.337 3.627 0 40 FHAB CC(C)(Oc1nn(-c2ccccc2)cc1Cl)C(=O)NCc1ccco1 227153699 QQFXRBANIQUWQD-UHFFFAOYSA-N 359.813 3.593 0 40 FHAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCOCC)nc1 225904615 GJGBOPMPAPUCPR-LJQANCHMSA-N 352.475 3.667 0 40 FHAB CCN1CCN(c2ccc(N)cc2NC(=O)c2ccc(C(C)C)cc2)CC1 226258599 KYJBACPXVGRQSO-UHFFFAOYSA-N 366.509 3.786 0 40 FHAB O=C(NCc1ccnc(-c2ccsc2)c1)c1cc(-c2cccnc2)on1 225757092 VXZHAQUGXBVQMW-UHFFFAOYSA-N 362.414 3.790 0 40 FHAB COc1cccc(CCCNC(=O)COc2ccc3c(c2)CCCC3)c1 224061952 SWBUFLZNIIOOQG-UHFFFAOYSA-N 353.462 3.702 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCOc1cc(C)ccc1C 224025196 FZTDOMHXONDBIT-LJQANCHMSA-N 357.450 3.665 0 40 FHAB COCCn1c(C)cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222611014 JODIEFLECAOFNF-JVPBZIDWSA-N 370.522 3.736 0 40 FHAB CCOC[C@H]1COCCC12CCN(C(=O)CCc1ccccc1C)CC2 96106415 BTPCZDYDGBKMAG-FQEVSTJZSA-N 359.510 3.609 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 243761346 QBZDNBUBFSRGOB-OAHLLOKOSA-N 370.836 3.843 0 40 FHAB C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1ccncn1 585113702 QNWJQYVHCJHXNL-QGZVFWFLSA-N 365.355 3.613 0 40 FHAB COCCC(=O)N1CCC[C@@H]2[C@H]1CCCCN2Cc1ccc(Cl)cc1 257305804 SRPTYBDRDXLYQI-RTBURBONSA-N 364.917 3.722 0 40 FHAB CN(C)c1ccc([C@@H](O)CNC(=O)Nc2ccccc2C(F)(F)F)cc1 90612025 MAOPNVSIUZTKTO-INIZCTEOSA-N 367.371 3.627 0 40 FHAB c1ccc(-c2nc(NCCN3CCSCC3)c3ccccc3n2)cc1 1116046481 HLJKCTFCLARYAE-UHFFFAOYSA-N 350.491 3.758 0 40 FHAB O=C(Cn1c(=O)oc2ccccc21)N[C@@H](c1ccsc1)c1cccs1 390827019 SEGJCYSYYQTHMK-KRWDZBQOSA-N 370.455 3.623 0 40 FHAB CC[C@@H](C)CN1C[C@H]2c3ccccc3[C@@H](NC(=O)CC3CCOCC3)[C@H]2C1 585109685 IFRIHVHWOUJJNP-SBQCITLYSA-N 370.537 3.736 0 40 FHAB COc1ccc(OCC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1 31953392 UDDKTXFOFJQIHY-LBPRGKRZSA-N 369.339 3.850 0 40 FHAB COc1cc2c(cc1OC)[C@@H](C)N(CC(=O)Nc1cccc(C)c1)CC2 5353827 XHEIGYAEZXTPNW-OAHLLOKOSA-N 354.450 3.570 0 40 FHAB COc1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCC2)cc1 5893558 BFKNECLXUAZNKN-INIZCTEOSA-N 359.451 3.724 0 40 FHAB Cn1nccc1[C@@H](NC(=O)c1cc(C2CCCCC2)no1)c1ccccc1 12194152 PDICNEQVMHDCOK-FQEVSTJZSA-N 364.449 3.975 0 40 FHAB O=C(CCN1Cc2ccccc2C1=O)NC1(c2cccc(F)c2)CCCC1 12197727 IQPBQUIRNWPOGS-UHFFFAOYSA-N 366.436 3.757 0 40 FHAB CC(C)C[C@@H](N[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 12751473 DPFWUYMXHYMRFZ-RDTXWAMCSA-N 366.465 3.560 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 12938932 CJJISHLNOCAVGJ-HNNXBMFYSA-N 374.396 3.560 0 40 FHAB COc1cc2c3c(c1)/C(=C1/SC(=S)N=C1O)C(=O)N3C(C)(C)C=C2C 17015100 HZYWYZDMRUCMJN-OWBHPGMISA-N 372.471 3.937 0 40 FHAB CCC[C@@H](C(=O)N(C)C[C@H]1OCCc2ccccc21)n1nc(C)cc1C 19501776 WAKBPULMDUSNHT-VQTJNVASSA-N 355.482 3.614 0 40 FHAB CCN(CC)C(=O)CN1CCCCCCCN(C(C)=O)c2ccccc2C1 643575822 PRNDNWBEVSZHPS-UHFFFAOYSA-N 373.541 3.674 0 40 FHAB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)o2)c(C)n1C1CC1 4889791 URNQYPSAALZAIM-UHFFFAOYSA-N 354.435 3.860 0 40 FHAB Cc1cc2ccccc2n1CC(=O)N(C)Cc1cnn(-c2ccccc2)c1 7257865 IJENFKRTJYWFMI-UHFFFAOYSA-N 358.445 3.794 0 40 FHAB Fc1ccc(CN2CCC(Oc3nccc(C(F)(F)F)n3)CC2)c(F)c1 1888860463 LAPVRTWWIBSTBH-UHFFFAOYSA-N 373.325 3.817 0 40 FHAB COc1ccccc1-c1nnc(Nc2nc3cc4c(cc3s2)OCO4)o1 4137832 KNSUNPHICVKOAE-UHFFFAOYSA-N 368.374 3.827 0 40 FHAB O=C(/N=c1\[nH]c2c(Cl)cccc2s1)c1ccc(Br)o1 9088469 GSHZCEGLIIHAPZ-UHFFFAOYSA-N 357.616 3.979 0 40 FHAB O=C(Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2)c1cccs1 9036503 FGCWQJBMUKNWKY-UHFFFAOYSA-N 352.415 3.792 0 40 FHAB Cc1ccc(NC(=O)CSc2nccn(-c3ccc(C)cc3)c2=O)cc1 9320393 QDOIXQPRMROAGO-UHFFFAOYSA-N 365.458 3.580 0 40 FHAB Cc1nc(CN2CCC(COc3cccc(C(F)(F)F)n3)CC2)co1 585532996 ZPEWYKBKIMUXPI-UHFFFAOYSA-N 355.360 3.688 0 40 FHAB Cc1cc(Oc2ccc(NC(=O)C3CC3)cc2)cc(C2CCNCC2)n1 19570449 JPTLAAMAEUANOD-UHFFFAOYSA-N 351.450 3.998 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCCN(C)c1ccccc1 30014812 BRVPMYGVHAYNPK-UHFFFAOYSA-N 362.477 3.745 0 40 FHAB Cc1ccc(CN(C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1 40103816 DQAINRUQWDAOMX-UHFFFAOYSA-N 366.509 3.719 0 40 FHAB C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 40122595 GUEFKJXSMPCTOQ-BBRMVZONSA-N 360.429 3.831 0 40 FHAB Fc1ccc(-c2csc3ncnc(NCCNc4ncccn4)c23)cc1 32913351 LUJBRSFZQPPOKK-UHFFFAOYSA-N 366.425 3.811 0 40 FHAB CC1(C)[C@H]2CC[C@]1(C)c1nc(SCC(=O)Nc3ccccc3)nnc12 658478 WHBURJYQETVHBE-ORAYPTAESA-N 354.479 3.777 0 40 FHAB CCOc1cc(-c2nc3ccccn3c2NC[C@H]2CCCO2)ccc1O 883907 ZSHGMEGYMWGPKO-OAHLLOKOSA-N 353.422 3.697 0 40 FHAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nnc([C@H]3CCCO3)s2)c1 959149 CQGSUBWDZBHQPN-CQSZACIVSA-N 361.467 3.839 0 40 FHAB COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)cc(Cl)c1OC(C)=O 994304 RZYWMYBTOPIGAY-DHDCSXOGSA-N 371.776 3.618 0 40 FHAB COc1cccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)c1 1961953 SLNRSADSTCFLSB-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB COc1ccc(-c2oc3ccccc3c(=O)c2O[C@@H](C)C(C)=O)cc1OC 1994074 PMOIYZZIJABTLO-ZDUSSCGKSA-N 368.385 3.834 0 40 FHAB CCOc1ccc([C@H]2C[C@@H](c3cccc(OC)c3)n3ncnc3N2)cc1 2409507 APALPPPIBSPXIW-MOPGFXCFSA-N 350.422 3.832 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(-c2csc(-c3cccnc3)n2)cc1 2502850 SNNIPWDJBLBPPL-UHFFFAOYSA-N 373.503 3.903 0 40 FHAB O=C(Nc1ccccn1)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 3041356 JUDNBSVQARJRAM-UHFFFAOYSA-N 374.227 3.851 0 40 FHAB Cc1ccc(NC(=O)COC(=O)c2c(-c3ccccc3)noc2C)cc1 3497388 GYUPBTNGROGEEB-UHFFFAOYSA-N 350.374 3.754 0 40 FHAB O=C(CSc1ncnc2ccccc12)Nc1nc2ccccc2s1 4162971 NXOALFFZSRRREW-UHFFFAOYSA-N 352.444 3.970 0 40 FHAB CCCn1cc(S(=O)(=O)c2ccc(OCC)cc2)c(=O)c2ccccc21 4193381 KCUGHTVNXKDFDI-UHFFFAOYSA-N 371.458 3.643 0 40 FHAB CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2ccccc21 4289604 GHYQTBNXYSEJCC-UHFFFAOYSA-N 368.462 3.745 0 40 FHAB C[C@@H]1CCC[C@@H](NC(=O)CSc2nnc(-c3ccccc3F)o2)[C@@H]1C 4987538 VYDRLXBWFUHEKR-LALPHHSUSA-N 363.458 3.909 0 40 FHAB CSc1ccc(Cn2cnc3ccc(Br)cc3c2=O)cc1 5084326 ZDJLDBWIKOSHAB-UHFFFAOYSA-N 361.264 3.929 0 40 FHAB Cc1cccc(C)c1N1C(=O)C[C@]2(CC(c3ccc(Cl)cc3)=NO2)C1=O 5268517 ZVKUJEFHVSNYPW-HXUWFJFHSA-N 368.820 3.784 0 40 FHAB Cc1nc2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)cc2s1 5578258 JFOBTZFIGGADNK-OAHLLOKOSA-N 365.458 3.592 0 40 FHAB CCc1cc2c(SCC(=O)NCc3ccc(C)cc3)ncnc2s1 5860575 WMRXMDXPJRIAOX-UHFFFAOYSA-N 357.504 3.971 0 40 FHAB O=C(CSc1ncccc1C(=O)O)Nc1ccc(Cl)cc1Cl 6471228 XNOHWFDUUBYESO-UHFFFAOYSA-N 357.218 3.817 0 40 FHAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(-c3ccccc3)cc1)n2C 6509528 BQSMJHWFNUMYEQ-UHFFFAOYSA-N 374.444 3.557 0 40 FHAB NC(=O)CSc1ccccc1NC(=O)Cc1cccc2ccccc12 6789830 IQWIVMVWISAQJH-UHFFFAOYSA-N 350.443 3.598 0 40 FHAB O=C(O)c1ccc(Cl)c(NC(=S)NC(=O)c2cccc(Cl)c2)c1 6861985 HRRJPLOOUGETPP-UHFFFAOYSA-N 369.229 3.818 0 40 FHAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1nc2ccccc2[nH]1 6971254 GRPRSZVGRTUKSF-SNVBAGLBSA-N 360.211 3.731 0 40 FHAB CCN(CC)C(=O)c1cccc(-n2c(=S)[nH]c3ccccc3c2=O)c1 7046739 LIAYBTDFOXJGTL-UHFFFAOYSA-N 353.447 3.530 0 40 FHAB COc1ccc(Cl)cc1NC(=O)c1ccc(OC)c(OC)c1OC 7655710 BIMQQJBPKBFARP-UHFFFAOYSA-N 351.786 3.627 0 40 FHAB Cc1csc(=O)n1CC(=O)OCc1ccccc1Oc1ccccc1 7700112 PVLDLDKJRHNSQI-UHFFFAOYSA-N 355.415 3.754 0 40 FHAB Cc1cccc2nc(C(=O)Nc3nc(CN4CCC(C)CC4)cs3)cn12 7990395 LZEQAUKCYXYBDO-UHFFFAOYSA-N 369.494 3.583 0 40 FHAB CCOc1cc(C=O)ccc1OCc1nc(-c2ccccc2OC)no1 8006767 QMTFUDRIOSZXKM-UHFFFAOYSA-N 354.362 3.535 0 40 FHAB Cc1ccccc1[C@@H](OC[C@@H](O)CNCc1ccccn1)c1ccccc1 8164247 HXOHACQGXBNOGX-GMAHTHKFSA-N 362.473 3.647 0 40 FHAB COc1ccc(CCN(C)[C@@H](C)C(=O)Nc2ccccc2C)cc1OC 8328590 XTFKLDHZBUFSPJ-INIZCTEOSA-N 356.466 3.514 0 40 FHAB COc1ccc(C[C@@H]2SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1C 8336401 HJXJGRWDQGAVNU-KRWDZBQOSA-N 359.422 3.949 0 40 FHAB C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1cccc2ccccc12 8734213 MHCDHHXAKSKVQE-OAHLLOKOSA-N 371.440 3.886 0 40 FHAB Cn1c(-c2ccccc2)nn(CN2CCC[C@H](C(F)(F)F)C2)c1=S 8734710 FFTCMQDUXXPWKM-ZDUSSCGKSA-N 356.417 3.850 0 40 FHAB CSc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C)cc1 8869658 PMJBIXRXUOVCOG-QGZVFWFLSA-N 351.427 3.998 0 40 FHAB Cc1n[nH]c(S/C(=C/c2cccc(OCc3ccccc3)c2)C(=O)O)n1 9329360 JNLOXYZRNHIVHB-GZTJUZNOSA-N 367.430 3.910 0 40 FHAB CCOc1ccccc1C(=O)NCCCC(=O)Nc1ccc(F)c(F)c1 9335568 FHPIRSVOUDAPDD-UHFFFAOYSA-N 362.376 3.512 0 40 FHAB COc1cc(CNC(=O)[C@H](C)Sc2ccccc2)cc(OC)c1OC 9887629 ACHKDGSCIJRPKG-ZDUSSCGKSA-N 361.463 3.509 0 40 FHAB NC(=O)c1cccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c1 9908680 ZQZXNJXJWGRBKK-UHFFFAOYSA-N 371.849 3.744 0 40 FHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)OC(C)C)CC2 10050405 DVAAQRCTKAJMPD-QFIPXVFZSA-N 369.461 3.603 0 40 FHAB COc1cccc([C@@H]2CCCN2CC(=O)NCc2ccccc2Cl)c1 10225902 RVKGWGZYSLMXQY-IBGZPJMESA-N 358.869 3.802 0 40 FHAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc2ccccc2c1 10900699 IXOPLRHTBUDUBK-UHFFFAOYSA-N 360.457 3.949 0 40 FHAB Cc1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1 11612526 WTOIIEKFKXBJGG-SFHVURJKSA-N 372.490 3.567 0 40 FHAB Cn1ncc(Cl)c1[C@H]1CCCCCN1S(=O)(=O)c1ccc(F)cc1 12159757 WZKFVJFFJZQYFZ-OAHLLOKOSA-N 371.865 3.519 0 40 FHAB CCc1nnc(-c2cccc(OCC(=O)Nc3ccc(C(C)=O)cc3)c2)o1 12443768 VBMUOQVMKZSDQH-UHFFFAOYSA-N 365.389 3.519 0 40 FHAB O=c1cc(CSc2ncc(-c3ccc(F)cc3)[nH]2)nc2sccn12 12529835 XHFBMVZJXIFRSS-UHFFFAOYSA-N 358.423 3.578 0 40 FHAB COc1cccc(CC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1 12622234 UXEUJPOLCBEAPS-UHFFFAOYSA-N 368.414 3.729 0 40 FHAB Cc1nc(-c2ccccc2)ccc1C(=O)O[C@H](C)C(=O)NC1CCCC1 12766336 XGPBAEGWVQMOCC-OAHLLOKOSA-N 352.434 3.661 0 40 FHAB O=C(CCn1nnc(-c2ccc(Cl)cc2)n1)Nc1cccc(Cl)c1 12798000 HEDWXIIFKCPKEL-UHFFFAOYSA-N 362.220 3.676 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1nc2c(s1)CCCCC2 12857404 YZMFYYHONZXDBN-UHFFFAOYSA-N 374.462 3.641 0 40 FHAB CCOc1cc2c(cc1NC(=O)c1cc(=O)[nH]c3ccccc13)O[C@@H](C)C2 12914960 PAEQNSCCRGKTAG-LBPRGKRZSA-N 364.401 3.503 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)COc3ccc(Cl)cc3C)ccc21 12919273 UNMSKXIRVOBHBZ-UHFFFAOYSA-N 358.825 3.575 0 40 FHAB FC(F)(F)c1cc(C2CCN(Cc3cccs3)CC2)nc2ncnn12 13266461 WMFRGNXZTYVYPS-UHFFFAOYSA-N 367.400 3.584 0 40 FHAB Cc1cccc(C)c1OCc1cc(=O)n2nc(-c3ccco3)sc2n1 13367603 HIWDKNHLQGNTPX-UHFFFAOYSA-N 353.403 3.607 0 40 FHAB COc1ccc(-c2noc(CCC(=O)N[C@H](C)c3ccccc3)n2)cc1 14049159 VZAFQCUZJZKSPN-CQSZACIVSA-N 351.406 3.555 0 40 FHAB COc1cc(OC)cc(C(=O)NCc2ccc(CN3CCCCC3)cc2)c1 14188459 UHOYXONRXZXKOV-UHFFFAOYSA-N 368.477 3.620 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1 14830755 LSOLNFCZWHTQRO-UHFFFAOYSA-N 363.797 3.786 0 40 FHAB COc1ccc(C2=NO[C@H](c3cc(OC)c4c(c3OC)OCO4)[C@H]2C)cc1 15081352 ZHOGSJIHBLCZFT-GTNSWQLSSA-N 371.389 3.553 0 40 FHAB COc1ccc(CCNC(=O)c2c(C)cc(Cl)nc2Cl)cc1OC 15108007 PLZHBZHBBWCCOL-UHFFFAOYSA-N 369.248 3.687 0 40 FHAB COc1ccc(-c2cs/c(=N\c3ccc(F)cc3)n2CCO)cc1F 15188331 CKMSLRUDTCWBNF-UZYVYHOESA-N 362.401 3.728 0 40 FHAB COC(=O)C(=C/c1ccc(OC)cc1)/C(C(=O)O)=C(\C)c1ccccc1 17215294 ZDZQBUYPFIHYOD-QBSYBSNLSA-N 352.386 3.810 0 40 FHAB Cc1cccc(NC(=O)CSc2nc(=O)c3c(C)c(C)sc3[nH]2)c1 18202641 YFYANUOTIADVLJ-UHFFFAOYSA-N 359.476 3.641 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc(O)nc2ccccc12 18202849 QEYSDOPKDLLELA-UHFFFAOYSA-N 372.428 3.673 0 40 FHAB CCc1nccn1C[C@H](C)C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 19523532 SSWSSPYAVRPXER-IRXDYDNUSA-N 373.472 3.538 0 40 FHAB C[C@@H](NC(=O)CC1CCN(C(=O)CC2CCCCC2)CC1)c1ccccn1 19748807 OFWYVMSZDMYLHR-QGZVFWFLSA-N 371.525 3.858 0 40 FHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCCN2CCc3ccccc32)c1 20111398 APISQGPCTGOMFK-IBGZPJMESA-N 366.505 3.948 0 40 FHAB CCOC(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1 20358216 LMFVWWGLYZTSDJ-INIZCTEOSA-N 357.793 3.803 0 40 FHAB Cc1cc(C)c(NCC(=O)Nc2cccc(C(=O)N(C)C)c2)c(Cl)c1 21392328 KSNWGYMWBDPAEO-UHFFFAOYSA-N 359.857 3.709 0 40 FHAB COc1ccccc1CC(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 22066883 AGXFRZDENZNNRB-UHFFFAOYSA-N 368.414 3.729 0 40 FHAB Cc1cc(C)c2c(-c3ccccc3)nc(S[C@H]3CCCCNC3=O)n2n1 22202338 IYKGXVHEDPNGMF-INIZCTEOSA-N 366.490 3.774 0 40 FHAB COc1ccc(C)cc1NC(=O)CNC(=O)c1cc2ccccc2s1 23002897 CXYQXRVGVXAFAO-UHFFFAOYSA-N 354.431 3.587 0 40 FHAB CCOc1cc2c(cc1OCC)CN(Cn1nc(C)sc1=S)CC2 23853408 GYYVRDATXJSPTH-UHFFFAOYSA-N 365.524 3.796 0 40 FHAB COc1cc(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c(C(=O)N(C)C)cc1OC 25219584 YVARYJHNZDDSNE-KSSFIOAISA-N 374.481 3.583 0 40 FHAB O=C(Nc1ccc(OS(=O)(=O)c2cccc(F)c2)cc1)c1ccccc1 25649158 WESVJVZTVNAXNV-UHFFFAOYSA-N 371.389 3.846 0 40 FHAB O[C@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Cn1ccnc1 25693050 DJVNDAABPHREFM-BUMILGAPSA-N 352.478 3.791 0 40 FHAB Cc1ccc(CN(C(=O)c2cc(=O)c3ccccc3o2)c2ccccn2)o1 27757675 VIGXRDMKVBEHAB-UHFFFAOYSA-N 360.369 3.936 0 40 FHAB Cc1cc2oc(C(=O)Nc3ccnn3Cc3ccccc3)cc(=O)c2cc1C 28402739 GBXQVHYUWCRMEV-UHFFFAOYSA-N 373.412 3.907 0 40 FHAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2ccc(N3CCCC3=O)cc2)o1 29244230 VBHKQYMQWILWKJ-KSSFIOAISA-N 352.434 3.802 0 40 FHAB CCc1noc(-c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)n1 33012464 WLYHVUSNNANYRZ-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB CC(C)Oc1cccc([C@H]2CC(O)=Nc3nc(N4CCOCC4)sc32)c1 36359773 KMWUIEFLMDNVLG-OAHLLOKOSA-N 373.478 3.891 0 40 FHAB O=C(NCc1ccccc1)[C@H](NCc1ccccc1)C(Cl)(Cl)Cl 36370177 JWQXSTLOMCEJPW-HNNXBMFYSA-N 371.695 3.831 0 40 FHAB O=C1C[C@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1cccc(F)c1 36635745 HXXSSTMPSYCMNC-AWEZNQCLSA-N 353.180 3.877 0 40 FHAB O=C(Nc1cccc(N2CCCCC2=O)c1)Nc1ccc2c(c1)OCO2 38489795 NKBUDSGGAPHCOT-UHFFFAOYSA-N 353.378 3.576 0 40 FHAB Cc1ccccc1NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 40152332 BFHAGLNLZUJAHI-JTQLQIEISA-N 367.268 3.576 0 40 FHAB Cn1c(Cn2cnc3c(oc4ccccc43)c2=O)nc2cc(Cl)ccc21 43242393 BQBRHEVIQRMRSA-UHFFFAOYSA-N 364.792 3.731 0 40 FHAB COCc1c(C(=O)Nc2cccc(N3CCOC3=O)c2)oc2ccccc12 46223065 BCSCKXXHOFFNHD-UHFFFAOYSA-N 366.373 3.788 0 40 FHAB COc1ccc(-n2c(COC(=O)C[C@@H]3CCCO3)nc3ccccc32)cc1 51224250 PGMCHZXOZBZUPT-KRWDZBQOSA-N 366.417 3.646 0 40 FHAB COc1ccc(CNC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c(OC)c1 57413503 KWULIWVJSRPXFE-UHFFFAOYSA-N 371.824 3.677 0 40 FHAB COc1ccc(Cl)cc1CN(C)[C@H](C(=O)NC1CC1)c1ccccc1 57624521 SPMJCXBCTBXDAE-IBGZPJMESA-N 358.869 3.800 0 40 FHAB CC(C)(C)OC(=O)NCCCC(=O)NCCc1ccc(C(F)(F)F)cc1 57974318 KEJFOMAUHGKXKS-UHFFFAOYSA-N 374.403 3.669 0 40 FHAB CCOc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(F)cc3)no2)cc1 58166326 YFXOKNLDSFFEJO-GFCCVEGCSA-N 355.369 3.765 0 40 FHAB O=C(CCc1ccccc1O)Nc1ccn(Cc2cccc3cccnc23)n1 58244817 RKQPKOSFRFDROY-UHFFFAOYSA-N 372.428 3.757 0 40 FHAB O=C(Cc1ccc(F)cc1)N1CCN(Cc2cccc3ccccc23)CC1 58356551 UVWLEDRKLVANLC-UHFFFAOYSA-N 362.448 3.866 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)Nc1cccc(CN2CCCC2=O)c1 62582038 SYNSRYCSROECKB-KRWDZBQOSA-N 365.477 3.952 0 40 FHAB Cc1ccsc1C(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 65287417 QNOISHINDJPIRS-UHFFFAOYSA-N 352.463 3.861 0 40 FHAB CCc1ccc(Nc2nn[nH]c2C(=O)NCc2ccc(Cl)cc2)cc1 67283533 DEXOQFIRSNPPOQ-UHFFFAOYSA-N 355.829 3.694 0 40 FHAB COc1ccc(C2(NC(=O)[C@@H]3CC(=O)Nc4ccccc43)CCCC2)cc1 67726678 QQPUPJMYICVPLT-GOSISDBHSA-N 364.445 3.707 0 40 FHAB COc1ccc(OC)c(NC(=O)CNc2ccc3nc(C)sc3c2)c1 69450243 GGCOPCFHGBQGQU-UHFFFAOYSA-N 357.435 3.673 0 40 FHAB CN(C)C1(CNC(=O)Nc2ccc(Cc3ccncc3)cc2)CCCC1 69529274 GRBVFGOAMXRVPQ-UHFFFAOYSA-N 352.482 3.668 0 40 FHAB NC(=O)c1cccc(-c2cccc([C@@H]3CCCN(Cc4ccccn4)C3)n2)c1 72348934 PXOOERRVDHRICJ-LJQANCHMSA-N 372.472 3.622 0 40 FHAB COc1ccc2c(c1)C[C@H](C(=O)N1CCCCC[C@H]1c1ccncc1)CO2 78933468 YFBLCAZVSPATKP-ICSRJNTNSA-N 366.461 3.785 0 40 FHAB C[C@@H]1CN(C(=S)Nc2ccc3c(c2)OCCO3)C[C@H](c2ccccc2)O1 84714145 YVSDJTZSELYYCG-AUUYWEPGSA-N 370.474 3.617 0 40 FHAB Fc1ccc(CN2CCOC[C@]3(CCN(Cc4cccs4)C3)C2)cc1 96062403 WQPRAKNFAVDELK-FQEVSTJZSA-N 360.498 3.612 0 40 FHAB Cc1cccc(CN2CC[C@]3(C[C@@H](OCc4csc(C)n4)CO3)C2)c1 96107788 WKLVCUUIDWEAKT-UXHICEINSA-N 358.507 3.710 0 40 FHAB COc1ccc2[nH]cc(CCNC(=O)CCn3ccc4ccccc43)c2c1 96114513 JPTKMCNJDHLIRF-UHFFFAOYSA-N 361.445 3.880 0 40 FHAB biogenic COC1(CNC(=O)c2cc(-c3ccccc3)on2)C2CC3CC(C2)CC1C3 96123861 ZICOOHPYCYOBKF-UHFFFAOYSA-N 366.461 3.913 0 40 FHAB Fc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccccc3F)n2)c1 96296200 ICPRFLODILUODE-IBGZPJMESA-N 355.388 3.928 0 40 FHAB biogenic,in-vitro CCc1cccc(C)c1NC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100628955 AHFFQKDYYDPBCG-RDJZCZTQSA-N 367.518 3.535 0 40 FHAB CC1(C)[C@@H]2CC[C@@]13CS(=O)(=O)N(Cc1ccc(F)c4cccnc14)[C@H]3C2 101753884 JTIPPSIDSFJGRL-LIVBEALHSA-N 374.481 3.714 0 40 FHAB COc1ccc(-c2cnc(CCC(=O)NCc3ccc(F)cc3)o2)cc1 109417633 XJGDZWIUXRYJEN-UHFFFAOYSA-N 354.381 3.738 0 40 FHAB Cc1ccc(N(CCCC(=O)Nc2cc(C)ccc2C)S(C)(=O)=O)cc1 113956359 MDSIEKGPFMRMRU-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccccc1-n1ccnc1 216444454 FZGPBEOAUDQIOZ-NRFANRHFSA-N 363.461 3.963 0 40 FHAB CCOC(=O)C1CCN(C(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)CC1 225342528 BAPOUTFKAKILCN-HXUWFJFHSA-N 373.493 3.525 0 40 FHAB CCOc1ccccc1NC(=S)NCc1nc(-c2ccc(C)cc2)no1 225816071 HJJJEMWCBNGOCP-UHFFFAOYSA-N 368.462 3.930 0 40 FHAB COc1cc(C(=O)O)cc(CSC)c1OC(=O)c1ccc(F)cc1 226289062 PWPCBVOHUMZILU-UHFFFAOYSA-N 350.367 3.615 0 40 FHAB O=C(N1CC[C@@H](c2noc(-c3cccs3)n2)C1)C1(c2ccccc2)CC1 245026568 NALRVEUIXOYVQS-CQSZACIVSA-N 365.458 3.846 0 40 FHAB C[C@H]1C[C@H]1C(=O)NC[C@H]1CC[C@H](c2ncncc2-c2ccccn2)CC1 257331093 XRILZVPAHAXQEN-LUKYLMHMSA-N 350.466 3.585 0 40 FHAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1cnn(C[C@@H]2CCCCO2)c1 390828184 PHRCJXAWSIMVMG-INIZCTEOSA-N 367.371 3.652 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)OCc2ccccc2)cc1 408738697 VEVDFMRDMXKTMY-KRWDZBQOSA-N 356.447 3.645 0 40 FHAB CC[C@@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1 409204505 HKYKMRWDPHAEJM-JPVKTXQWSA-N 350.418 3.957 0 40 FHAB CCOc1cc(CNc2ccc3ccn(C)c(=O)c3c2)c2c(c1)C[C@H](C)O2 585081239 LZHIPSOGBIWUHR-AWEZNQCLSA-N 364.445 3.873 0 40 FHAB Cc1cc(CNC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)n[nH]1 603485959 NGRZZFPOCFTDAA-UHFFFAOYSA-N 357.417 3.501 0 40 FHAB Cc1csc([C@@H]2CCCCN2C(=O)C[C@@H](C(=O)O)c2ccccc2)n1 634877297 KPZXBOHKMNEYCM-CVEARBPZSA-N 358.463 3.764 0 40 FHAB OC1(c2nc(Cc3ccc(Cl)cc3Cl)no2)Cc2ccccc2C1 1326055938 IFNXUERETHYFSX-UHFFFAOYSA-N 361.228 3.954 0 40 FHAB CC(C)COc1cccc(CN2CCN(c3cccc(F)c3)C(=O)C2)c1 1658146207 BOPZBTNAHFLXRK-UHFFFAOYSA-N 356.441 3.709 0 40 FHAB COc1ccc(Cl)c(C(=O)N2CCC([C@H]3CCCCN3C)CC2)c1 2055756338 DKSAWXZOCJAJEM-GOSISDBHSA-N 350.890 3.685 0 40 FHAB CC(=O)[C@H](CC(=O)Nc1ccc(C)cc1)C(=O)Nc1ccc(C)cc1C 2655118 IXDSJJOOPFZICC-SFHVURJKSA-N 352.434 3.784 0 40 FHAB CCCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1C(C)C 1364254 MQVRBUHJFFNZGN-UHFFFAOYSA-N 360.483 3.745 0 40 FHAB O=C(Cc1cccc2ccccc12)N1CCC(OC[C@H]2CCCO2)CC1 79049494 DCVOTBSTTDLXMF-HXUWFJFHSA-N 353.462 3.569 0 40 FHAB O=C(NCc1nc(C2CC2)no1)Nc1cccc(C2SCCS2)c1 79648889 HSTMFTMCBZTAHE-UHFFFAOYSA-N 362.480 3.747 0 40 FHAB Cc1cccc(C)c1N(CC(=O)Nc1ccccc1C(C)C)S(C)(=O)=O 2648533 POAVRVIVIIFLIT-UHFFFAOYSA-N 374.506 3.832 0 40 FHAB Cc1cccc(NC(=S)N2[C@H]3CCC[C@@H]2CC(NC(=O)C2CC2)C3)c1C 4857435 NIBOTOGIPWFKPP-AYHJJNSGSA-N 371.550 3.912 0 40 FHAB COc1ccc(N2C(=O)C(Cl)=C(Nc3cc(C)cc(C)c3)C2=O)cc1 703488 UQUVADBLUUNSGS-UHFFFAOYSA-N 356.809 3.748 0 40 FHAB C[C@H](NC(=O)CCCn1c(=O)oc2ccccc21)c1ccc(F)cc1F 8090452 HCEHPDMXYNHHDO-LBPRGKRZSA-N 360.360 3.530 0 40 FHAB Cc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)C[C@@H](C)CC4 975903 CXJWGAMGDYAHPZ-NSHDSACASA-N 350.447 3.528 0 40 FHAB CCNc1nn(-c2nc(C)cc(C)n2)c2c1C(=O)C[C@@H](c1ccccc1)C2 9936481 HZUUGRWSPCSWPU-INIZCTEOSA-N 361.449 3.624 0 40 FHAB Cc1c(C(=O)Nc2ccccc2N2CCN(C)CC2)oc2c(F)cccc12 12549398 VFNFRHRXARMYLF-UHFFFAOYSA-N 367.424 3.884 0 40 FHAB O=C(NCC[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCCCN1C(=O)c1ccccc1 107334411 IZENGFWMMZMWST-LEAZDLGRSA-N 354.494 3.624 0 40 FHAB C[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccc(-n2ccnc2)cc1 12529992 AZEZMCVZIKVWGA-QGZVFWFLSA-N 371.444 3.608 0 40 FHAB Fc1ccc(-c2cnc(CN3CCN(c4ccccc4F)CC3)o2)cc1 12589686 PDHQODJIHRYEID-UHFFFAOYSA-N 355.388 3.942 0 40 FHAB CCc1ccc(NC(=O)CSCC(=O)Nc2ccc(OC)cc2)cc1 1892661 ZXFYRLJTYNSTNM-UHFFFAOYSA-N 358.463 3.568 0 40 FHAB O=C(COC(=O)c1ccccc1Cl)NCc1ccc(F)c(Cl)c1 57471801 OYMQGRWMEOWUPC-UHFFFAOYSA-N 356.180 3.606 0 40 FHAB CCn1c(SC[C@H](O)COc2ccc3ccccc3c2)nnc1C1CC1 58013290 DVEUYFOAGSQPBV-QGZVFWFLSA-N 369.490 3.861 0 40 FHAB CCOc1ccccc1OCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 12627525 ZJTQMYBXOQYPCT-KRWDZBQOSA-N 365.433 3.704 0 40 FHAB CCc1ccc(OCC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)cc1 27793071 YYGIYHZGLPEFSD-QFIPXVFZSA-N 366.505 3.890 0 40 FHAB Cc1ccc(CNC(=O)COC(=O)c2cc(Cl)cc(Cl)c2)cc1 3300356 SSZXFMYTUJWATK-UHFFFAOYSA-N 352.217 3.775 0 40 FHAB CCn1cc(C(=O)Nc2ccc(F)c(F)c2F)c(=O)c2cc(C)ccc21 22234811 XAZYWMLQZSOGQI-UHFFFAOYSA-N 360.335 3.999 0 40 FHAB CN1/C(=c2/sc3nc4ccccc4n3c2=O)Sc2ccc(Cl)cc21 2190067 UDEQARJOSWEIME-PEZBUJJGSA-N 371.874 3.589 0 40 FHAB CC(C)(C)c1ccc(C(=O)COC(=O)C[C@@H]2C(=O)Nc3ccccc32)cc1 58351096 YWSBKDOYSZDUFB-KRWDZBQOSA-N 365.429 3.836 0 40 FHAB O=S(=O)(c1ccc(-c2nc(-c3ccccc3)no2)o1)N1CCCCCC1 36367158 BQLAXPJSFHKADV-UHFFFAOYSA-N 373.434 3.561 0 40 FHAB C[C@H](NC(=O)Cc1ccc2ccccc2c1)c1ccc(S(C)(=O)=O)cc1 10967381 JJXNSQVNBXLGCV-HNNXBMFYSA-N 367.470 3.663 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)N[C@@H](C)c3ccccc3Cl)CC2=O)cc1 12798272 KOEWUBAKBWZJDD-LSDHHAIUSA-N 356.853 3.879 0 40 FHAB C[C@H](CC(=O)NCc1ccc(C(F)(F)F)cc1)NC(=O)c1ccccc1 12746778 BBMCQEXNABEDRX-CYBMUJFWSA-N 364.367 3.530 0 40 FHAB COC(=O)Nc1ccc(NC(=O)NC[C@@H](C)N(C)c2ccccc2)cc1 48311492 ZHDTXRPKPOYHJD-CQSZACIVSA-N 356.426 3.511 0 40 FHAB O=C(NC1CCN(Cc2ccccn2)CC1)c1cc2c(F)cccc2s1 48353645 JJOSZVYLSZRCFS-UHFFFAOYSA-N 369.465 3.830 0 40 FHAB C[C@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccc(NC(N)=O)cc1 45782779 RISZEHQGQGRCQO-VIFPVBQESA-N 352.221 3.975 0 40 FHAB O=C(OC[C@H]1CCCO1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 11593272 FGKJRHGXKPEYLY-MRXNPFEDSA-N 373.474 3.588 0 40 FHAB COc1ccc(CNC(=O)NCCc2ccc(Br)s2)cc1 11607037 YVAQDUKDXSSDQZ-UHFFFAOYSA-N 369.284 3.561 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)OCCOc2ccc(Cl)cc2)c1C 3436703 HKALYMSEJYBBTN-UHFFFAOYSA-N 365.813 3.697 0 40 FHAB CCOc1ccc(OC(C)(C)C(=O)Nc2cccc(NC(C)=O)c2)cc1 17336144 NHWKYCYXNYUNHH-UHFFFAOYSA-N 356.422 3.840 0 40 FHAB COc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCCCC2)cc1 4089185 QRAQMNODAZFDAR-UHFFFAOYSA-N 369.490 3.812 0 40 FHAB COc1cc2c(cc1CNC(=O)c1cccc3ccccc13)OCCCO2 64986969 YKDDNGZYNVPEPA-UHFFFAOYSA-N 363.413 3.940 0 40 FHAB CCOC(=O)Cn1ccc2cc(NC(=O)c3ccc(N(C)C)cc3)ccc21 65565084 BFCPUMTYUXMSAY-UHFFFAOYSA-N 365.433 3.523 0 40 FHAB Cc1cc(=O)oc2cc(NC(=O)[C@H]3Cc4cc(Cl)ccc4O3)ccc12 14241728 JYFOIUZWZJNONT-QGZVFWFLSA-N 355.777 3.697 0 40 FHAB COc1ccc2c(C)c(CCC(=O)NCc3ccccc3)c(=O)oc2c1C 4743489 USZRMGAOALGYLX-UHFFFAOYSA-N 365.429 3.667 0 40 FHAB C[C@@H](Sc1nc2ccccc2n1C)C(=O)N(C)Cc1cccc(F)c1 6972458 GAMMZNUAWUWDQP-CYBMUJFWSA-N 357.454 3.852 0 40 FHAB COc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 15589817 CJXBDFFFIGDZBE-SFHVURJKSA-N 353.418 3.834 0 40 FHAB O=C(COc1ccccc1)Nc1cc(C(F)(F)F)ccc1-n1cccn1 15640434 DSBQXFOREAYULJ-UHFFFAOYSA-N 361.323 3.909 0 40 FHAB Cc1ccc(C(=O)NC[C@H]2CC(c3ccc(-c4ccccc4)cc3)=NO2)cn1 96011885 RCWZQCOTWDQOFG-OAQYLSRUSA-N 371.440 3.980 0 40 FHAB Cc1cc(-n2c(C)cc(C(=O)CSc3nnc(C)n3C3CC3)c2C)no1 7617786 KOFGGMNZSXUWJD-UHFFFAOYSA-N 371.466 3.600 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(C)(=O)=O)cc1 7725064 QKXSPBPRFBDLCG-UHFFFAOYSA-N 367.854 3.540 0 40 FHAB COc1ccc([C@H](CNC(=O)Cc2ccc3ccccc3c2)N(C)C)cc1 7987132 XSLCXLFZWSRXND-QFIPXVFZSA-N 362.473 3.810 0 40 FHAB CC[C@H](C)[C@H](C(=O)NCc1ccccc1F)N1Cc2ccccc2C1=O 71334377 YMYVRKIYLOMDRH-IFXJQAMLSA-N 354.425 3.513 0 40 FHAB COP(=O)(OC)[C@@H](NC(=O)c1cccs1)C(Cl)(Cl)Cl 16750996 ZXZRZDDESSLIPF-MRVPVSSYSA-N 366.590 3.660 0 40 FHAB COc1ccc(CNC(=O)c2ccccc2C(=O)c2cccs2)cc1 8272585 ZQPVKBZLTKWIMW-UHFFFAOYSA-N 351.427 3.918 0 40 FHAB CCCCCNS(=O)(=O)c1ccc(C)c(C(=O)NC2CCCCC2)c1 408552990 UARFXQOQJXVZFY-UHFFFAOYSA-N 366.527 3.526 0 40 FHAB CCCSc1nnc(SCC(=O)Nc2ccc(Cl)cn2)s1 9314707 RTSXFXMWFDBEIK-UHFFFAOYSA-N 360.917 3.819 0 40 FHAB COc1cccc(-n2cnc3c2[C@@H](c2ccc(F)c(F)c2)CC(=O)N3)c1 96335723 KAGLQCTYDKULBX-CQSZACIVSA-N 355.344 3.633 0 40 FHAB CCN(CC)C(=O)c1ccc(NC(=O)c2cc(C)nc3onc(C)c23)cc1 9734009 RMOHIRMUDURJNZ-UHFFFAOYSA-N 366.421 3.574 0 40 FHAB COc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)c(F)c1 96997442 CAZMAGDFZDJBGZ-UHFFFAOYSA-N 351.381 3.761 0 40 FHAB O=C(C1CCN(c2cnccn2)CC1)N(CC1CCC1)c1ccccc1 84244294 DBFJUIWRAXZPEH-UHFFFAOYSA-N 350.466 3.526 0 40 FHAB CCN1CCCC[C@H]1CNC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 97164672 XZTFQISCVOMVPG-SFHVURJKSA-N 356.470 3.954 0 40 FHAB Cc1ccc(C(=O)N2CCC[C@H]2C[C@H](C)O)cc1NC(=O)c1ccccc1 95434735 FNAROCKPGXFBPE-LPHOPBHVSA-N 366.461 3.623 0 40 FHAB CN(C(=O)CCCc1nc2ccccc2c(=O)[nH]1)C1CCCCCCC1 89334972 NHVBFZLTVAEGRW-UHFFFAOYSA-N 355.482 3.817 0 40 FHAB O=C(Nc1nc(-c2ccccc2)c(Br)s1)c1cnsn1 89851079 ZHCANHMCTYRNFC-UHFFFAOYSA-N 367.253 3.676 0 40 FHAB CCN(CC)[C@@H](CNC(=O)CNC(C)(C)CC(C)(C)C)c1ccco1 89967792 IGGPPMXUYFTDJA-INIZCTEOSA-N 351.535 3.583 0 40 FHAB COc1ccccc1CC(=O)NCc1ccc(CN2CCCC[C@@H]2C)cc1 32930262 POPWQFVBTSIXJW-SFHVURJKSA-N 366.505 3.929 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1 3851745 URVQPPFOCBAUNE-SFTDATJTSA-N 367.470 3.748 0 40 FHAB biogenic CC(C)(C)c1cc(-c2nn3c(-c4cc(F)ccc4F)nnc3s2)n[nH]1 31811077 CVEUNABDWQFPLN-UHFFFAOYSA-N 360.393 3.819 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(N2CCCC2=O)cc1 219578532 DOVKLAUPLRNACE-KRWDZBQOSA-N 356.397 3.749 0 40 FHAB Cc1cccc(Cn2nc(C)c(NS(=O)(=O)c3cccc(F)c3)c2C)c1 39974968 KRXIYUJKEGNWQU-UHFFFAOYSA-N 373.453 3.797 0 40 FHAB Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCCN2Cc2cccnc2)n1 72376862 HKQSPLVJSPBWQH-LJQANCHMSA-N 363.440 3.987 0 40 FHAB COc1ccc(OCC(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 224453790 AUCTWQITSWMVQG-UHFFFAOYSA-N 355.419 3.540 0 40 FHAB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl 223317494 CNIZUQYCSJSBHR-UHFFFAOYSA-N 373.217 3.537 0 40 FHAB CCc1ccccc1NC(=O)[C@H](CC)N(c1cccc(C)c1)S(C)(=O)=O 220494397 ZVEPUEUSHZRSNK-IBGZPJMESA-N 374.506 3.741 0 40 FHAB Cc1ccc(-c2nnc3sc(NC(=O)c4ccccc4F)nn23)cc1 41108743 HTHANORROPIEHG-UHFFFAOYSA-N 353.382 3.553 0 40 FHAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN(CC)CC)cc1 225692456 ALYSUBABTDWLPE-FQEVSTJZSA-N 350.503 3.941 0 40 FHAB CCCNC(=O)c1cccc(CNCc2cc(Cl)c3c(c2)OCCO3)c1 40120197 OYPAHBZRFQQBGB-UHFFFAOYSA-N 374.868 3.541 0 40 FHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccccc1OC 224444854 ZPIDDZBIIHPQEP-INIZCTEOSA-N 363.841 3.701 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)COc2ccc3c(c2)CCCC3)c1 225453693 YERFVKYFKRZAFM-UHFFFAOYSA-N 353.418 3.678 0 40 FHAB COc1ccc(OC)c(NC(=O)c2ccc3c(c2)OCC2(CC2)CO3)c1 225365922 AJJAIGVVYDEYQT-UHFFFAOYSA-N 355.390 3.508 0 40 FHAB O=C(CCSc1ccccc1)N1CC(c2nc(-c3ccsc3)no2)C1 77099600 UWNJIPKODZPPFT-UHFFFAOYSA-N 371.487 3.906 0 40 FHAB COC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(OC)cc2)c1 225463900 YSHYJMOKDPESOK-CYBMUJFWSA-N 358.463 3.838 0 40 FHAB CCOc1ccc(NC(=S)N[C@H](C)COc2ccc(OC)cc2)cc1 225264770 CURMFNZYYQVBAJ-CQSZACIVSA-N 360.479 3.848 0 40 FHAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OC)c(C(=O)OCC)c1 225824782 DYIBRZXSBUKFRV-IBGZPJMESA-N 351.443 3.796 0 40 FHAB CC[C@@H](C)[C@@H](CO)NC(=O)c1sc(-c2ccc(Cl)cc2)nc1C 98031705 PLSXKYUPFHUZRC-QMTHXVAHSA-N 352.887 3.909 0 40 FHAB O=C(NCc1ccccn1)c1cc(-c2ccn(CC3CC3)n2)n2ccccc12 96154717 VFWAEPMGPZFDBJ-UHFFFAOYSA-N 371.444 3.538 0 40 FHAB CC(C)N1c2sc(-c3ccccc3)nc2C[C@@H]1C(=O)N1CCCCC1 96264442 YSLFKHJWPKDHFR-QGZVFWFLSA-N 355.507 3.962 0 40 FHAB c1ccc(-c2ccnc(NCCc3csc(-c4cccnc4)n3)n2)nc1 97506117 CRRDHBCPCCMTNW-UHFFFAOYSA-N 360.446 3.712 0 40 FHAB O=C(O)c1ccc(C(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)cn1 583953400 GRGAUUKNGJLBFR-UHFFFAOYSA-N 364.376 3.762 0 40 FHAB Cc1noc(C)c1-c1cncc([C@@H]2CCCN2Cc2ncccc2F)n1 257260843 LERDTMPWYZQQKK-SFHVURJKSA-N 353.401 3.620 0 40 FHAB CCOC(=O)c1sc(NC(=O)c2ccc(C(F)(F)F)nc2C)nc1C 24656847 XZHZVZSBXREYDE-UHFFFAOYSA-N 373.356 3.603 0 40 FHAB C[C@H](c1ccc(F)cc1)N1CC[C@H](Nc2cc3oc(O)nc3cc2F)C1=O 656661035 QRSDHEJAGQLNLN-YGRLFVJLSA-N 373.359 3.586 0 40 FHAB C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2ccc(F)c(C(N)=O)c2)C1 672633185 KPSYFOJYYDVZJV-ACJLOTCBSA-N 355.413 3.930 0 40 FHAB OC1(CNCc2cccc(OCc3ccccc3)c2)Cc2ccccc2C1 606472581 VZQXSPXSRJRNFE-UHFFFAOYSA-N 359.469 3.885 0 40 FHAB CC(C)C(=O)N1CCC[C@H]2CN(C(=O)c3cccc4c3CCCC4)CC[C@@H]21 1775990811 HONODSWXACYYQJ-RXVVDRJESA-N 368.521 3.675 0 40 FHAB CCSC1(CNC(=O)N[C@@H]2c3ccccc3CC23CCOCC3)CC1 595635564 MEYUEZGQXLTVLS-QGZVFWFLSA-N 360.523 3.666 0 40 FHAB CC(C)n1nc(-c2ccco2)cc1NC(=O)N1CC[C@@]2(CCCN(C)C2)C1 297246123 WVVRVJSTCUNQTB-HXUWFJFHSA-N 371.485 3.674 0 40 FHAB CC(=O)N1CC[C@H](NCCc2cn(C)c3cc(F)ccc23)c2ccccc21 621760653 PHDBJOHDRHUWBS-FQEVSTJZSA-N 365.452 3.947 0 40 FHAB COc1ccc(-n2ccc(C(=O)Nc3nc(-c4ccc[nH]4)cs3)n2)cc1 55159132 XJMFGTFLXWZBKL-UHFFFAOYSA-N 365.418 3.585 0 40 FHAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2cc(C)ccc2OC)C1=O 5313134 UVKJRJGZFSEPKN-FQEVSTJZSA-N 356.397 3.500 0 40 FHAB COc1cc(NCc2cc3c(C)cc(C)cc3[nH]c2=O)cc(OC)c1OC 12144300 KUDUIKWEHHDEGQ-UHFFFAOYSA-N 368.433 3.783 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)CCc1ccccc1)c1ccc(F)c(F)c1 12221702 KHKPZEGEWFNNJZ-IBGZPJMESA-N 355.388 3.537 0 40 FHAB CCc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@@H](c1ccco1)C3 13610877 DZHIESSKPVOTDW-AWEZNQCLSA-N 358.401 3.859 0 40 FHAB Cc1ccc(C)c(O[C@@H](C)C(=O)N2CCN(c3ccccc3F)CC2)c1 13710490 LMNXPRACCSTODX-KRWDZBQOSA-N 356.441 3.559 0 40 FHAB CCn1c(SCc2cn3cccnc3n2)nnc1-c1ccc(Cl)cc1 16162771 CGAZMMCTZDGLPW-UHFFFAOYSA-N 370.869 3.953 0 40 FHAB Cc1ccc(N2CCN(C[C@@H](O)c3c[nH]c4ccc(F)cc34)CC2)c(C)c1 19132573 DCSZNNAYBJOULZ-JOCHJYFZSA-N 367.468 3.779 0 40 FHAB Cc1cc(=O)cc(C2CCN(C(=O)c3csc4c3CC[C@@H](C)C4)CC2)[nH]1 19570409 XZIOGIVHMNZKDO-CYBMUJFWSA-N 370.518 3.889 0 40 FHAB Cc1nn([C@@H](C)CC(=O)NCc2ccc3c(c2)CCCO3)c(C)c1Cl 19577567 VZWTZMBHQLWTBQ-LBPRGKRZSA-N 361.873 3.746 0 40 FHAB CCN(C)[C@H]1CN(C(=O)c2oc3c(c2C)C(=O)CCC3)C2(CCCCC2)C1 19703811 XYNCYXWNQSXTGJ-MRXNPFEDSA-N 372.509 3.976 0 40 FHAB CCC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C/C1=C/C(=O)OCC 5437475 LFZYBLRISRNIIY-KPZQXCMVSA-N 373.493 3.913 0 40 FHAB O=C(C[C@H]1C=CCC1)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 10660523 TZFHJCNLGHJGAB-HNNXBMFYSA-N 369.490 3.942 0 40 FHAB CC(=O)Nc1ccc(SCC(=O)NC(=O)Nc2ccc(C)cc2C)cc1 6919485 POYVOLSCWGMJDK-UHFFFAOYSA-N 371.462 3.702 0 40 FHAB CC(=O)Nc1ccc(F)c(NC(=O)Cc2ccc(C(F)(F)F)cc2)c1 23003543 ONLROCXJTJWGOK-UHFFFAOYSA-N 354.303 3.984 0 40 FHAB CC(C)(C)SCCNC(=O)c1cccc(I)c1 224961586 RGBUSFICARSWEX-UHFFFAOYSA-N 363.264 3.553 0 40 FHAB Cc1cccc(F)c1C(=O)N1CCc2c(COCC3CC3)cncc2C1 1565545922 OUMBBZNNJUNPAG-UHFFFAOYSA-N 354.425 3.654 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)N1CCN=C1SCc1ccccc1F 4120551 GWZUWMURDPCBTJ-AWEZNQCLSA-N 358.438 3.725 0 40 FHAB COc1cc([C@@H]2CC(c3ccc(C)cc3)=NN2C(C)=O)cc(OC)c1OC 4942468 JGSSVHZGIZIRPX-SFHVURJKSA-N 368.433 3.718 0 40 FHAB CSc1ccccc1NC(=O)N[C@H]1CC(=O)N(c2ccc(C)cc2)C1 5123538 XIRVUQSTPXYSPF-AWEZNQCLSA-N 355.463 3.644 0 40 FHAB COc1cc(-c2cc(C(=O)O)c3nc(-c4ccccc4)[nH]c3n2)ccc1O 11694703 WOQKRGFQTFXIPQ-UHFFFAOYSA-N 361.357 3.704 0 40 FHAB CCOC(=O)c1c(NC(=O)CC)sc2c1CCN(Cc1ccccc1)C2 20356076 KCBYZKLDQOWSAV-UHFFFAOYSA-N 372.490 3.832 0 40 FHAB O=C(NC[C@H](O)c1ccc(-c2cccs2)o1)c1cc2ccccc2[nH]1 1775967653 ZMQQQRAZYASYHJ-HNNXBMFYSA-N 352.415 3.953 0 40 FHAB Cc1ccc(N2CCC[C@@H](C(=O)Nc3nc4c(C)cccc4s3)C2)nn1 585235283 VKEORNIGSUNFMY-CQSZACIVSA-N 367.478 3.558 0 40 FHAB O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)O)c1ccc(Cl)cc1 16400891 XEQATEIOXLDCOL-UHFFFAOYSA-N 369.229 3.818 0 40 FHAB COc1ccc([C@@H]2[C@@H](C(=O)N(C)C)CCC(=O)N2c2ccc(C)cc2)cc1 30806256 QWCRXVIZJJSZOX-PZJWPPBQSA-N 366.461 3.576 0 40 FHAB Cc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(c4ccc(F)cc4)CC3)c2c1 20714330 MUYISJULCGSSSG-HXUWFJFHSA-N 367.424 3.563 0 40 FHAB O=C(Nc1cccc(NC(=O)c2cc(F)ccc2F)c1)c1ccncc1 32450930 OSRGJAREDMSYIJ-UHFFFAOYSA-N 353.328 3.864 0 40 FHAB Cc1cc(Br)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)cc1C 41095296 QQMGFLBNROHQNC-HZMBPMFUSA-N 360.317 3.923 0 40 FHAB CCCn1c(NC(=O)c2cccc(C[S@](C)=O)c2)nc2ccccc21 21597932 APOUEHVAJDLTFT-RUZDIDTESA-N 355.463 3.577 0 40 FHAB Cc1cc(C(=O)OCC(=O)c2cc(C)n(C3CC3)c2C)c2c(C)noc2n1 32869393 MEOPOKSCNNQIKB-UHFFFAOYSA-N 367.405 3.633 0 40 FHAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)/C=C/c1ccco1 1107651 ROBDJLMLSAPWDL-BQYQJAHWSA-N 365.418 3.715 0 40 FHAB CCc1ccc(/C=c2/sc3nnc(-c4ccccc4Cl)n3c2=O)cc1 2394295 GNMGUSYYMMSKMJ-LFIBNONCSA-N 367.861 3.582 0 40 FHAB CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N2C1=S 2797517 LEILCFKTZPRPLW-PKOBYXMFSA-N 361.470 3.631 0 40 FHAB biogenic CCOc1ccc(-n2c(S[C@H]3CCOC3=O)nc3ccccc32)cc1 3496830 XNEWBEHAZIXHRH-KRWDZBQOSA-N 354.431 3.832 0 40 FHAB Cc1cccc(Nc2nnc(SCC(=O)c3ccc(O)cc3O)s2)c1 3533169 ADEBQPJRDUFGHJ-UHFFFAOYSA-N 373.459 3.976 0 40 FHAB Cc1noc(C)c1C(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1 3564992 VAQFNSGXUSPXQX-UHFFFAOYSA-N 366.373 3.879 0 40 FHAB CCC1CCC(C(=O)N[C@H](C(=O)Nc2ccc(OC)cc2)C(C)C)CC1 3895624 WTFMLUMQTDIBNP-RJYAGPCLSA-N 360.498 3.991 0 40 FHAB O=C1N[C@@H]2[C@H](Cc3ccccc3O)c3ccccc3CN2c2ccccc21 4158726 ZYKNBHAKRJETJG-KNQAVFIVSA-N 356.425 3.808 0 40 FHAB O[C@@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CCCC1 4194894 LAOSKVNPBIXSAK-RXXSEBCPSA-N 355.522 3.990 0 40 FHAB O=C(CSc1cn[nH]n1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 4912650 RSNUBOGRUDXXFH-UHFFFAOYSA-N 360.826 3.981 0 40 FHAB O=C(CCc1ccccc1)c1ccccc1OC[C@@H](O)CN1CCCCC1 5009799 DMYOHQBLOZMDLP-FQEVSTJZSA-N 367.489 3.728 0 40 FHAB COc1ccc(-c2nonc2NC(=O)c2ccc(Cl)cc2)cc1OC 5451763 NEXFJNBEHWIEPG-UHFFFAOYSA-N 359.769 3.660 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2O)n[nH]1 5520436 GFCJOSPPSZUGOO-CYBMUJFWSA-N 368.462 3.913 0 40 FHAB CCOC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 5564441 ZRNKNSQVRXGIJH-QGZVFWFLSA-N 355.365 3.597 0 40 FHAB O=C(Nc1ccc(Cl)cc1)Nc1nn(Cc2ccccc2)cc1C(=O)O 5603767 GFCWJAWGFHVMEM-UHFFFAOYSA-N 370.796 3.927 0 40 FHAB O=C(COC(=O)COc1ccccc1)Nc1ccc(SC(F)F)cc1 5901159 GLUXAQQCGLSSQV-UHFFFAOYSA-N 367.373 3.562 0 40 FHAB COc1ccc(OC)c([C@@H]2c3cc4c(cc3O[C@@](C)(OC)[C@H]2C)OCO4)c1 6202448 ZTEKYRBIKZVOMH-WNVHLOTPSA-N 372.417 3.956 0 40 FHAB COc1cccc(NC(=O)[C@H](Sc2nccn2C)c2ccccc2)c1 6369215 QGTFMDYEEWNNQY-QGZVFWFLSA-N 353.447 3.901 0 40 FHAB COc1ccc(-c2noc(CNC(=O)c3cccc4ccccc34)n2)cc1 6669438 YZPIAZOADVJNEV-UHFFFAOYSA-N 359.385 3.828 0 40 FHAB COc1cccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1 7492045 GKGLWELCCJFXMI-UHFFFAOYSA-N 358.869 3.743 0 40 FHAB Cc1ccc2c(c1)c1c(n2C[C@@H](O)CNC2CCCCC2)C(=O)CCC1 7572532 CVPHOXGBNXUIMJ-KRWDZBQOSA-N 354.494 3.752 0 40 FHAB O=C(/C=C/c1ccc(F)c(Cl)c1)N1CCN(c2ccc(O)cc2)CC1 7980174 RZQGDQVSCBSWKJ-KRXBUXKQSA-N 360.816 3.547 0 40 FHAB COC(=O)c1cccc(NC(=O)Cc2csc(-c3ccccc3)n2)c1 7995655 AEIZMOFVRYLSNP-UHFFFAOYSA-N 352.415 3.778 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CSc1ccccc1 8388320 BCQQKIGVOWNGKN-UHFFFAOYSA-N 351.475 3.898 0 40 FHAB Cn1c(-c2ccccc2)nn(CN2CCC[C@@H](C(F)(F)F)C2)c1=S 8734711 FFTCMQDUXXPWKM-CYBMUJFWSA-N 356.417 3.850 0 40 FHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc2c(s1)CCCC2 8745216 GHWDTEUSCIYFBI-UHFFFAOYSA-N 367.474 3.526 0 40 FHAB CCOc1cc2c(cc1CNCc1ccc(NC(C)=O)cc1)O[C@@H](C)C2 8750687 YCKLQECYLVPGAS-AWEZNQCLSA-N 354.450 3.657 0 40 FHAB O=C1C[C@@H](c2nc(-c3cccnc3)no2)CN1c1cccc2ccccc12 8986191 FUXFYFZHRTVBFL-MRXNPFEDSA-N 356.385 3.805 0 40 FHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)CCc1ccccn1 9322273 ZZBFCZSEYQVYAN-UHFFFAOYSA-N 355.438 3.967 0 40 FHAB Cc1ccc(-n2ccnc(SCC(=O)c3ccccc3)c2=O)cc1F 9761433 UBOYEMUFFBYUJX-UHFFFAOYSA-N 354.406 3.655 0 40 FHAB O=C(COC(=O)c1ccccc1Br)Nc1cc(F)cc(F)c1 9765787 GFANDSRKMPWJBX-UHFFFAOYSA-N 370.149 3.523 0 40 FHAB COc1cc(OC)cc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 10544460 GZSDKNVIYOPEOU-AWEZNQCLSA-N 365.433 3.600 0 40 FHAB CC1(C)Cc2nc(N3CCCC3)ncc2[C@@H](NC(=O)CC2CCCC2)C1 12221006 WRHJLNJJMCKSKS-KRWDZBQOSA-N 356.514 3.787 0 40 FHAB NC(=O)CSc1ccccc1NCc1nc(-c2ccccc2Cl)no1 12533502 FCOPPPHGCIELRL-UHFFFAOYSA-N 374.853 3.580 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1ccccn1 12750956 ZRFMOTHQHILICZ-JTQLQIEISA-N 369.646 3.581 0 40 FHAB CC(C)c1noc2ncc(C(=O)Nc3cnc4c(cnn4C(C)C)c3)cc12 12780700 KHNXSZWZUFGQCI-UHFFFAOYSA-N 364.409 3.924 0 40 FHAB O=C(CNC(=O)Nc1cccc(Cl)c1)Nc1ccc(F)c(F)c1F 12876760 CHQVBGCLUABXEH-UHFFFAOYSA-N 357.719 3.518 0 40 FHAB O=C(CCSc1nc2ccccc2s1)Nc1ccc2[nH]c(=O)[nH]c2c1 12980499 PIEIDMUEKVKYKT-UHFFFAOYSA-N 370.459 3.587 0 40 FHAB Cc1nc(NCc2nnc3n2CCC3)c2c(-c3ccccc3)csc2n1 13008325 YQMVJVPIKHUAIR-UHFFFAOYSA-N 362.462 3.817 0 40 FHAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(OC)cc2)c1C 13648816 NOXVAMUQWQIEFO-AWEZNQCLSA-N 357.406 3.586 0 40 FHAB O=C(CCSCc1ccccc1)N1CCN(Cc2ccccc2)CC1 13687991 PLRKJPCZXMOPQZ-UHFFFAOYSA-N 354.519 3.654 0 40 FHAB C[C@@H](c1nnc(-c2cccs2)o1)N(C)CC(=O)Nc1ccc(F)cc1 14139857 CJOAXVYZMZPEEQ-NSHDSACASA-N 360.414 3.569 0 40 FHAB CCn1c(S[C@@H](C)C(=O)NCc2ccc(Cl)cc2)nnc1C1CC1 14161017 VOOKSUZWHUUJND-NSHDSACASA-N 364.902 3.626 0 40 FHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1ccccc1 14400548 REZURWWHCVSPJI-IBGZPJMESA-N 359.491 3.902 0 40 FHAB CCOC(=O)c1ccc(Nc2nc3ccccc3c3nnc(CC)n23)cc1 15728350 ZVBGAXNVGHUEAV-UHFFFAOYSA-N 361.405 3.760 0 40 FHAB COc1ccc(CCNC(=O)Cc2coc3cc(C)ccc23)cc1OC 15739064 ORZGVOHREMFZCZ-UHFFFAOYSA-N 353.418 3.660 0 40 FHAB O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)OCc1cccc(F)c1F 16617471 KTTSAUOTFDTCLY-UHFFFAOYSA-N 374.170 3.745 0 40 FHAB Cc1cccc(-c2noc(Cn3nc(-c4ccc(C)c(C)c4)ccc3=O)n2)c1 16845667 ZDUGPADAKGXTDJ-UHFFFAOYSA-N 372.428 3.934 0 40 FHAB Cc1ncsc1-c1nnc([C@@H]2CCCN2C(=O)Cc2ccccc2F)o1 19562924 HHYGMGWPVOSNDD-AWEZNQCLSA-N 372.425 3.547 0 40 FHAB CN(C)[C@@H](CNC(=O)c1c[nH]nc1-c1ccccc1)c1cccc(Cl)c1 19663385 GJYXTDRLPDTDKE-SFHVURJKSA-N 368.868 3.763 0 40 FHAB COc1c(Cl)cc(C(=O)Nc2ccc(CC(=O)O)cc2)cc1Cl 20142537 DVLDXNPJQLOGRI-UHFFFAOYSA-N 354.189 3.881 0 40 FHAB O=C(CCc1nc(-c2ccco2)no1)Nc1ccccc1C(F)(F)F 20894295 NGKUKUMHDHRKRK-UHFFFAOYSA-N 351.284 3.920 0 40 FHAB CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(CC)cc2)cc1 21596443 GNYHIOVQTZXGEH-UHFFFAOYSA-N 356.447 3.553 0 40 FHAB CN1CCN(Cc2ccc(C(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1 22027952 WJUBHLPWRJSTSA-UHFFFAOYSA-N 363.288 3.972 0 40 FHAB CCC(CC)[C@H](CNC(=O)c1cccc(Cl)c1Cl)N1CCOCC1 22898662 XTRORTXQVHWHHV-INIZCTEOSA-N 373.324 3.860 0 40 FHAB CC(C)Cc1ccc(S(=O)(=O)Cc2nc(-c3ccccc3)no2)cc1 23125799 ROGKGPVLGIIVBR-UHFFFAOYSA-N 356.447 3.909 0 40 FHAB CC(=O)Nc1ccc(N[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 23864717 KJECPEQHWBHGSE-JTQLQIEISA-N 356.451 3.733 0 40 FHAB Cn1cc(/C=C/C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)cn1 24385427 LHIMLHOQOONXDG-ZNFPLGDCSA-N 352.463 3.797 0 40 FHAB Cc1csc(SCc2ccc(C(=O)N(C)Cc3cnn(C)c3)cc2)n1 24478573 JFTCKCHVQAUZHC-UHFFFAOYSA-N 372.519 3.750 0 40 FHAB COc1ccccc1CCC(=O)OCc1cc(Cl)c2c(c1)OCCO2 26053800 BCSFEPIKCXZRCG-UHFFFAOYSA-N 362.809 3.796 0 40 FHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H](c1ccco1)N1CCCC1 27333656 USEMTEUXFTWTGY-PBHICJAKSA-N 362.857 3.654 0 40 FHAB Cc1cc(O[C@H](C)C(=O)NCC2(N(C)C)CCCCC2)ccc1Cl 27581373 YLYLEFVCYOIKHP-OAHLLOKOSA-N 352.906 3.796 0 40 FHAB CCOc1cc(S(=O)(=O)N2CCc3ccccc32)c(OCC)cc1C 27823761 SXFGNNJKNITSKS-UHFFFAOYSA-N 361.463 3.544 0 40 FHAB COc1ccc(CN(C)C(=O)[C@H](C)Oc2cccc(C)c2C)cc1OC 32478833 HMENSCGDDHDYIA-INIZCTEOSA-N 357.450 3.747 0 40 FHAB CC(=O)Nc1nc(CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cs1 32751494 WNCOPFOXVAAHHL-MRXNPFEDSA-N 373.478 3.600 0 40 FHAB CC(C)NC(=O)COc1cccc(-c2noc(-c3cccc(Cl)c3)n2)c1 33327307 XKNZBSBJKXGRMZ-UHFFFAOYSA-N 371.824 3.960 0 40 FHAB O=Cc1ccc(Sc2nc3c(c(C(F)(F)F)n2)CCC3)c([N+](=O)[O-])c1 33695015 IFNYLFMSDFSJTM-UHFFFAOYSA-N 369.324 3.856 0 40 FHAB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2F)SC1=S 35040339 FGRZCHUUSDRMHZ-AUWXEVLLSA-N 353.440 3.670 0 40 FHAB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 35040410 UGEUKDVPPCNTOK-AUWXEVLLSA-N 353.440 3.670 0 40 FHAB CC(C)(C)C[C@H](NC(=O)Nc1ccccc1-n1cnnn1)c1ccccc1 40145950 TTZAKTKLWOIYPL-KRWDZBQOSA-N 364.453 3.961 0 40 FHAB C[C@@H]1CN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)c2ccccc2O1 41155528 AVYKRCRSQWOAHF-LLVKDONJSA-N 355.777 3.874 0 40 FHAB O=C(NCCCc1ccccc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 44909243 RGFDQPPVZJDRQU-HXUWFJFHSA-N 354.469 3.787 0 40 FHAB COc1ccc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c(OC)c1 46510147 YXWKVKIFGLJGKV-KRWDZBQOSA-N 357.406 3.514 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(OC(C)C)s2)c1C 48309188 QYZVJJYKCVMVRP-LLVKDONJSA-N 367.496 3.836 0 40 FHAB C[C@@H](c1ccccn1)N(C1CC1)S(=O)(=O)C1=Cc2ccccc2CC1 48313158 ICZKAVLUDRWESS-HNNXBMFYSA-N 354.475 3.924 0 40 FHAB Cc1nc(/C=C/C(=O)Nc2cccc(CN3CCCCC3=O)c2)cs1 50474282 UHHJARZSUBQLTK-CMDGGOBGSA-N 355.463 3.616 0 40 FHAB O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)N1CCC[C@@H]1c1ccncc1 57189986 DEMBTNFPTMUNPD-HSALFYBXSA-N 369.440 3.988 0 40 FHAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCc2ccc(C(=O)NC3CC3)cc2)o1 57403482 SWGDVCOKQWNYJP-KUHUBIRLSA-N 366.461 3.544 0 40 FHAB COC(=O)c1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c1 57412552 STDIBZPRQJUUTH-UHFFFAOYSA-N 355.781 3.769 0 40 FHAB COC(=O)CCCCCCNC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 57752847 FTJLPQANCVGJJW-STQMWFEESA-N 352.397 3.530 0 40 FHAB Cc1nc2ccccc2nc1NC[C@@H](c1cccc(F)c1)N1CCOCC1 58356471 BIHTUCXTOATEJY-FQEVSTJZSA-N 366.440 3.563 0 40 FHAB Cc1cc(NC(=O)N[C@H](C)c2ccc(Cl)cc2)ccc1-n1cnnn1 58894168 MTKQWVLQMLJLIS-GFCCVEGCSA-N 356.817 3.507 0 40 FHAB Brc1ccc(-c2nn3c(-c4ccco4)nnc3s2)s1 61717593 CYNDGBQRZIMUFT-UHFFFAOYSA-N 353.226 3.937 0 40 FHAB Cc1ccc(-n2cc(C(=O)N3CC=C(c4ccccc4)CC3)nn2)cc1C 67263021 WDBJOCURZQYIRU-UHFFFAOYSA-N 358.445 3.814 0 40 FHAB COCCn1cc(CC(=O)Nc2cc(F)c(F)c(F)c2)c2ccccc21 79493508 CYXMOTRIZBFGEU-UHFFFAOYSA-N 362.351 3.886 0 40 FHAB CSc1nc(C(=O)N(C[C@@H]2CCOC2)c2ccccc2)c2ccccn12 83993091 ONWNXBURQCFOML-HNNXBMFYSA-N 367.474 3.740 0 40 FHAB Cc1ccccc1[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1C)NC(N)=O 84235463 VKCDSIUGIYPOCJ-WOJBJXKFSA-N 365.477 3.767 0 40 FHAB C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1ccccc1Br 89895113 TYLVWIHSHJITFR-ZWNOBZJWSA-N 354.269 3.753 0 40 FHAB C[C@H](NC(=O)CCC(=O)Nc1ccnn1C1CCCCC1)c1ccccc1 89905567 XCIVWKMXLFGCPG-INIZCTEOSA-N 368.481 3.984 0 40 FHAB C[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccccc1F)C(=O)N1c2ccccc2C[C@H]1C 89941456 ZTZWLRKCIRSFKR-LTCOOKNTSA-N 367.420 3.839 0 40 FHAB COc1ccccc1OCCNC(=O)c1nc(Cl)sc1C(C)C 95474054 UNUUWGPHAYTEJR-UHFFFAOYSA-N 354.859 3.737 0 40 FHAB CSc1ccc([C@H](O)CNC(=O)c2cccc(Br)c2)cc1 96103126 BSTWOLHEEDRGCY-OAHLLOKOSA-N 366.280 3.634 0 40 FHAB CC(C)Oc1cccc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2ccccn2)c1 100149094 HXWJOPNZFXDJOE-PMACEKPBSA-N 366.505 3.989 0 40 FHAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@@H]3C)CC2)on1 100743703 UQOHPKXPRIIPFQ-KKBVYLPWSA-N 368.481 3.794 0 40 FHAB C[C@@H]1C=CC[C@H]2C(=O)N(c3cccc(NC(=O)c4ccccc4)c3)C(=O)[C@H]12 102601714 IWJIFGQXFPVUSP-NIKGAXFTSA-N 360.413 3.641 0 40 FHAB CCC[C@@H]1[C@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@@H]2ON1c1ccccc1 102732405 QSKYXFFJXIDPSS-QWFCFKBJSA-N 364.445 3.782 0 40 FHAB CC(=O)C(Sc1nc2ccccc2n1C(=O)NC1CCCCC1)C(C)=O 103660633 PYNJDHQMZUHVIC-UHFFFAOYSA-N 373.478 3.565 0 40 FHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)CCCNC(=O)c1ccc(F)cc1)C2 107340497 BNFOCPQAMMXJJX-WJPUGNRLSA-N 360.473 3.667 0 40 FHAB CS(=O)(=O)Nc1cc(C(=O)Nc2ccccc2Cl)ccc1Cl 139448774 CKUWPMSOJXWCIR-UHFFFAOYSA-N 359.234 3.617 0 40 FHAB Cc1cccc(-n2cc(C(=O)N3C[C@@H](C)Sc4ccccc43)nn2)c1 155646112 SGPZUXAEQFKKJI-CQSZACIVSA-N 350.447 3.717 0 40 FHAB C[C@@H]1CN(C(=O)c2cnc(-c3ccc(F)c(F)c3)s2)c2cccnc2O1 161751458 ADFYOIKXGKOWJX-SNVBAGLBSA-N 373.384 3.911 0 40 FHAB COC(=O)c1ccc(Nc2nc(-c3ccccc3)c(CC(=O)O)s2)cc1 166874788 GQGFZFWELMCSJB-UHFFFAOYSA-N 368.414 3.967 0 40 FHAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)c1 218965837 DRTGUYPKZNCDLF-UHFFFAOYSA-N 366.461 3.865 0 40 FHAB CCOc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1Cl 223101559 UOROMBWGRUDLMY-UHFFFAOYSA-N 358.869 3.697 0 40 FHAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1 223515490 VAGISLOSRBZVKL-LJQANCHMSA-N 366.505 3.605 0 40 FHAB COc1ccc(NC(=S)NC2(c3ccncc3)CCCC2)cc1OC 225849997 GMVFKTOEBCLOIP-UHFFFAOYSA-N 357.479 3.855 0 40 FHAB CCN(C(=O)C(F)(F)F)c1ccc(NC(=O)c2cccs2)c(OC)c1 226285397 CKRTXQHKLNIMEZ-UHFFFAOYSA-N 372.368 3.924 0 40 FHAB COc1ccc(O)c(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)c1 408627770 NOPOHJWIJCYSCL-UHFFFAOYSA-N 371.245 3.834 0 40 FHAB Cc1cccc(N2C[C@@H](C(=O)Oc3cccc4cccnc34)CC2=O)c1C 408650406 BDBRLPMBYYJNQW-KRWDZBQOSA-N 360.413 3.810 0 40 FHAB COc1cc(C=O)c(Br)cc1OCc1ccc2c(c1)OCO2 408854879 KHLANAKNFTXVSV-UHFFFAOYSA-N 365.179 3.578 0 40 FHAB Cc1noc([C@@H]2CCCN([C@H](C(=O)O)c3ccc(Cl)cc3Cl)C2)n1 563893152 UWEIZRRFKAFCFM-YGRLFVJLSA-N 370.236 3.690 0 40 FHAB C[C@@H](c1cccnc1)N(Cc1cnn2ccccc12)CC1CCOCC1 585084659 IHAZETJWKHWZPQ-KRWDZBQOSA-N 350.466 3.719 0 40 FHAB Cc1nccc(N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)n1 608081948 HICFXPJHSKUFMY-AWEZNQCLSA-N 355.829 3.872 0 40 FHAB Cc1cccc(CC2(O)CCN(C(=O)c3cc4ccc(C)cc4[nH]3)CC2)c1 684504376 HAGRDTFAQDSSDQ-UHFFFAOYSA-N 362.473 3.995 0 40 FHAB Cc1ccc(NC(=O)C(=O)NCC(C)(C)c2ccsc2)cc1Cl 1565519609 ZVLCSENNINUJFO-UHFFFAOYSA-N 350.871 3.742 0 40 FHAB Cc1[nH]nc2ncc(NCc3ccc(Br)c(F)c3F)cc12 1651705986 GAUYPEOSLMKMIJ-UHFFFAOYSA-N 353.170 3.919 0 40 FHAB CC(C)(C)NS(=O)(=O)c1cc(Cl)c(Br)cc1Cl 1775989011 YUMCMXHSMSPIFL-UHFFFAOYSA-N 361.088 3.833 0 40 FHAB C[C@@H](CCNC(=O)[C@@H](C)CC(F)F)Nc1cnc2cc(F)c(F)cc2n1 1775992510 QRNOQKOIOISZNF-UWVGGRQHSA-N 372.366 3.506 0 40 FHAB c1ccc(-c2nc(CN3CCC[C@H](COc4cnccn4)C3)cs2)cc1 2298227082 DWYZHLKCQAXDMO-INIZCTEOSA-N 366.490 3.891 0 40 FHAB COc1ccc2nc(NS(=O)(=O)c3ccc(Cl)cc3)sc2c1 939935 XOIDPDCGYLDBJR-UHFFFAOYSA-N 354.840 3.759 0 40 FHAB COc1ccccc1/C=C1\N=C(c2ccccc2Br)OC1=O 1505929 SQAQZHISLRCKLF-UVTDQMKNSA-N 358.191 3.802 0 40 FHAB COc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)cc2C)cc1 1892662 FQXMYZRISJMGQN-UHFFFAOYSA-N 358.463 3.622 0 40 FHAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C)cc2)N2C(=O)[C@@H](C)SC2=N1 2487089 IKKLHZSUPQFMNC-CJNGLKHVSA-N 358.463 3.595 0 40 FHAB O=C1OCC[C@@H]1Sc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 2625505 FNHSCTUTAJYNDI-HNNXBMFYSA-N 371.849 3.995 0 40 FHAB CCOc1ccc([C@]2(O)CN(c3cccc(C)c3)C3=[N+]2CCCC3)cc1 2966466 AYVUSZORELEFSU-JOCHJYFZSA-N 351.470 3.654 0 40 FHAB O=C(CSc1nnc(-c2ccccc2)o1)NCc1ccc(Cl)cc1 3602669 SLPSKABBEDKBNP-UHFFFAOYSA-N 359.838 3.799 0 40 FHAB CC[C@H](C(=O)NCCc1cc2c(C)ccc(C)c2[nH]c1=O)c1ccccc1 3911839 JIATZPVYHVKBRY-IBGZPJMESA-N 362.473 3.997 0 40 FHAB CCc1ccc(-c2ccc(SCC(=O)Nc3nnc(C)s3)nn2)cc1 4356290 ROOVDAYXMPDBMS-UHFFFAOYSA-N 371.491 3.597 0 40 FHAB C[C@@H]1CC[C@H]2C(=O)N(c3ccccc3OC(=O)c3cccs3)C(=O)[C@@H]2C1 4553621 VROIQTUKVPMSDX-MGPQQGTHSA-N 369.442 3.893 0 40 FHAB O=C(COC(=O)c1ccccc1F)c1ccc(OC(=O)c2ccco2)cc1 4555211 HLLHSHVXQOUPQD-UHFFFAOYSA-N 368.316 3.678 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2nnc(-c3cc(C)ccc3C)o2)c1 5169644 POQDEOHXQLSDIL-UHFFFAOYSA-N 353.378 3.623 0 40 FHAB Cc1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CCC4)c(Cl)c1 6111224 CHGIYXXRWXQGSW-UHFFFAOYSA-N 373.865 3.547 0 40 FHAB C[C@H](Sc1nnc(-c2ccncc2)n1C)C(=O)c1ccc(F)c(F)c1 6138765 NYEJDETXCNPQBQ-JTQLQIEISA-N 360.389 3.519 0 40 FHAB Cn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1cccs1 6319630 IRLLQINORCHLNT-UHFFFAOYSA-N 364.883 3.928 0 40 FHAB CCOC(=O)Nc1cccc(C(=O)OCC(=O)Nc2ccc(C)c(C)c2)c1 6590224 HTIKUOCUTFPANL-UHFFFAOYSA-N 370.405 3.667 0 40 FHAB COc1ccc(Cc2nnc3n2N=C(Nc2ccc(C)cc2)CS3)cc1 6659499 QBLXAQFXBNZGDU-UHFFFAOYSA-N 365.462 3.565 0 40 FHAB Cc1ccc(C)c(OCCOc2ccccc2/C=C2/SC(=N)NC2=O)c1 6797432 PFKFINPPYGWVKB-LDADJPATSA-N 368.458 3.900 0 40 FHAB Cc1ccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCC3)cc1 6808659 KTLUHJPWSWOQTK-UHFFFAOYSA-N 361.445 3.535 0 40 FHAB Cc1ccc(CSc2nc3nccnc3c(=O)n2CCC(C)C)cc1 6818621 ALZIATSZNOHEPC-UHFFFAOYSA-N 354.479 3.833 0 40 FHAB CC1=C(C(=O)OCc2ccccc2)[C@@H](/C=C/c2ccccc2)n2ncnc2N1 6848112 JQFBKJPAKNFMFX-JXOMPUQVSA-N 372.428 3.976 0 40 FHAB O=C(COc1cc(Cl)ccc1Cl)N1CCN(c2ccccc2)CC1 6923326 QRFQHEFCBUKKHB-UHFFFAOYSA-N 365.260 3.721 0 40 FHAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3ncc(-c4ccccc4)o3)C2=O)cc1 7388915 OGWCDVOZOBATFS-OAQYLSRUSA-N 361.401 3.617 0 40 FHAB CCc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 7724215 ROHUKNSHWDTEKY-AWEZNQCLSA-N 372.852 3.903 0 40 FHAB COC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C 7735693 RRWIUTQWLPDYLP-AWEZNQCLSA-N 368.458 3.656 0 40 FHAB Cc1ccccc1-n1c(SC[C@H]2CCOCO2)nc2ccccc2c1=O 7781932 PDGWORALRHPJAC-OAHLLOKOSA-N 368.458 3.549 0 40 FHAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCCCCC1 7912543 TYMRLKQDYTYVQK-RQJZOYDLSA-N 360.542 3.746 0 40 FHAB O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(OC(F)F)cc1 7957431 MCOFSJQAKNQPTA-UHFFFAOYSA-N 365.361 3.971 0 40 FHAB O=C(NC1CCCCCC1)c1cccc(NS(=O)(=O)c2ccccc2)c1 8033385 KIGCJZGOMWCWSL-UHFFFAOYSA-N 372.490 3.940 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)CN1C(=O)N[C@](C)(CCC(C)C)C1=O 8707483 SQGNMRPVSXGPBQ-OAQYLSRUSA-N 373.497 3.804 0 40 FHAB COc1cccc(NC2=NN=C(c3ccc4c(c3)OCCCO4)CS2)c1 8726320 OBPDGGGYJAZODG-UHFFFAOYSA-N 369.446 3.776 0 40 FHAB CC(C)C1CCC(C(=O)N[C@@H](C(=O)NCc2ccccc2)C(C)C)CC1 9195318 VPSVOFINFCWBTF-SOAGJPPSSA-N 358.526 3.906 0 40 FHAB CCc1sc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)cc1C 9905478 MRSDKDXITZNVSV-UHFFFAOYSA-N 357.479 3.570 0 40 FHAB CC(=O)c1cc(C(=O)OCC(=O)Nc2ccc(C)cc2C)c2ccccn12 10272874 PBTJHJPFFAGLCD-UHFFFAOYSA-N 364.401 3.554 0 40 FHAB C[C@H]1CCCCN1C(=O)CSc1nnc(Nc2ccc(F)cc2)s1 10345124 GJYJYDIAJDQAJI-NSHDSACASA-N 366.487 3.914 0 40 FHAB Cn1/c(=N\C(=O)c2cccs2)sc2cc(Br)ccc21 11617068 OCLFPBUJTBWZBU-FYWRMAATSA-N 353.266 3.805 0 40 FHAB Cc1noc(C)c1CCC(=O)N1CCC(c2onc3c2C[C@@H](C)CC3)CC1 12119866 IEGMOTFJVWMWSY-ZDUSSCGKSA-N 371.481 3.743 0 40 FHAB CC(C)N1CCC[C@H](CNC(=O)CSc2nccc3ccccc23)C1 12148562 NOHCKYNWPQTKGP-MRXNPFEDSA-N 357.523 3.564 0 40 FHAB O=C(Cc1ccc2c(c1)OCO2)N[C@H](Cc1ccsc1)c1nccs1 12226612 FROCBPIYACTIDE-CQSZACIVSA-N 372.471 3.576 0 40 FHAB COc1ccc2c(c1)C=C(CN1CCC(O)(c3ccc(C)cc3)CC1)CO2 12328393 BEOBBKXCVOHSGY-UHFFFAOYSA-N 365.473 3.763 0 40 FHAB COc1ccc(C(C)(C)C)cc1CN[C@@H]1COC[C@H]1Cc1cc(C)no1 12366580 GTPYPTVPQQMHQC-VQIMIIECSA-N 358.482 3.636 0 40 FHAB C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCC[C@@H]1c1cccs1 12533896 JSLVRTSJDMQJMU-IEBWSBKVSA-N 369.534 3.622 0 40 FHAB O=C(CCSc1ccccc1F)Nc1ccc(N2CCOCC2)cc1 12730827 RYGICALCJPGNEV-UHFFFAOYSA-N 360.454 3.783 0 40 FHAB COc1cc(OC)c(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1Cl 12774904 YNEPHNLOLUENII-VIFPVBQESA-N 370.236 3.845 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c1 12782440 KCJULCAQAJCZOY-UHFFFAOYSA-N 365.429 3.872 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)CCc1c(C)nc(SC)nc1C 12861678 UKNDKWPZSJOTRE-AWEZNQCLSA-N 359.495 3.634 0 40 FHAB CN(C)[C@H](CNC(=O)[C@@H]1Cc2ccccc2S1)c1ccccc1Cl 12912293 OWOVCNJNTDJAQH-AEFFLSMTSA-N 360.910 3.776 0 40 FHAB Cc1cccc(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 12992608 WUPFHACUVGRYCS-LJQANCHMSA-N 366.461 3.932 0 40 FHAB Cc1ccc(Nc2nc(NC[C@@H]3CCCO3)nc3nccnc23)cc1Cl 13010935 YXFOYIHWXDMALV-ZDUSSCGKSA-N 370.844 3.716 0 40 FHAB CCOc1cc(CNC(C)(C)C)ccc1Oc1nnnn1-c1ccccc1 13717706 RXIFCLWCLQLAHW-UHFFFAOYSA-N 367.453 3.741 0 40 FHAB COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)cc2)c1 14022278 MAHYTVXYQVDXKH-NSHDSACASA-N 363.797 3.541 0 40 FHAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)NC(C)C 14022908 MERNLRWRZDDGFC-IBGZPJMESA-N 354.450 3.929 0 40 FHAB CC(=O)N1CCc2cc(-c3nc(NC[C@H]4CCCO4)sc3C)ccc21 14102676 UGFKFELCJAYRBZ-MRXNPFEDSA-N 357.479 3.618 0 40 FHAB O=S(=O)(Nc1cnn(Cc2cccc3ccccc23)c1)c1ccccc1 17074769 MGLJPKZDFUOTRW-UHFFFAOYSA-N 363.442 3.885 0 40 FHAB CNc1cc(C[C@H](NC(=O)C2CC2)c2cccc(C)c2)nc(C2CC2)n1 19234473 YBZQKQKNBAZISE-SFHVURJKSA-N 350.466 3.514 0 40 FHAB Fc1ccc(CN2CCC(c3nnc(-c4cccnc4)o3)CC2)cc1F 19341463 VYXFNIINAOXFBF-UHFFFAOYSA-N 356.376 3.789 0 40 FHAB O=C(Cc1ccccc1F)N1CC[C@H](c2ccccc2)[C@H]2NCCCC[C@H]21 19373889 IZINMFASFRNOMN-KJXAQDMKSA-N 366.480 3.895 0 40 FHAB COc1cc2nc(C)n(CC(=O)Nc3nc(C(C)C)cs3)c2cc1OC 19718837 DAIOWWIOFWKJND-UHFFFAOYSA-N 374.466 3.581 0 40 FHAB CCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3CC)cc1 19936842 IUWXQFJBFYHAKV-UHFFFAOYSA-N 374.462 3.758 0 40 FHAB Fc1ccccc1CN1CCN(Cc2ccc(Br)cc2)CC1 22031804 JLNHNNNPXXYDDF-UHFFFAOYSA-N 363.274 3.906 0 40 FHAB COc1ccc(OCCCC(=O)NCc2ccc(OC(C)C)cc2)cc1 22509192 ZUJZATUXDHOBFC-UHFFFAOYSA-N 357.450 3.958 0 40 FHAB CCc1nc2sc([C@H](c3cccc(Cl)c3)N3CCCC3)c(O)n2n1 22852935 XVXQGMHOLVDBRN-AWEZNQCLSA-N 362.886 3.897 0 40 FHAB CCn1cc(C(=O)OCC(=O)N(C)Cc2cccs2)c2ccccc21 22988747 XUOPTSNSKANZDD-UHFFFAOYSA-N 356.447 3.538 0 40 FHAB O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)c1cc(-c2ccccc2)on1 23131470 KHJJMKLKJGYDGG-GOSISDBHSA-N 361.401 3.585 0 40 FHAB Cc1nc(C2(NS(=O)(=O)c3cc(C)sc3C)CCCCCC2)no1 24689330 DNZLXDNKCLJSQK-UHFFFAOYSA-N 369.512 3.584 0 40 FHAB COC(=O)c1ccoc1CN1CCC(C(=O)c2ccc(C)cc2C)CC1 26645021 SZIYGJUBNFSGPZ-UHFFFAOYSA-N 355.434 3.778 0 40 FHAB Cc1cc(C)c(C)c(OCC(=O)N(C)Cc2nc(-c3cccs3)no2)c1 28188833 HURTWMJZOGGSDC-UHFFFAOYSA-N 371.462 3.761 0 40 FHAB COc1ccc([C@@H](C)NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cc1 28238319 QVYRPJRVSPGWFQ-LLVKDONJSA-N 367.371 3.665 0 40 FHAB CCOc1ccccc1CNC(=O)COc1ccc(Br)cc1 30849346 WIDXCYULOKEFNE-UHFFFAOYSA-N 364.239 3.543 0 40 FHAB CC1=C[C@@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@H]1CC(=O)NC1CCCC1 30880223 MFBMITFJMXZMIP-BJLQDIEVSA-N 360.542 3.816 0 40 FHAB biogenic,in-vitro O=S(=O)(NCc1ccccc1COCc1ccccc1)c1ccccc1 32441865 BHKNBJNTZONROL-UHFFFAOYSA-N 367.470 3.882 0 40 FHAB COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 36623813 MTCDDFVSPYVDCX-UHFFFAOYSA-N 366.417 3.865 0 40 FHAB C[C@H]1CCCN(Cc2csc(NC(=O)[C@]3(C)CC3(Cl)Cl)n2)C1 37132927 KUCSFPTUYSENCF-HZMBPMFUSA-N 362.326 3.897 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 38753109 YYGVCJDBVQJRLY-AEFFLSMTSA-N 371.477 3.971 0 40 FHAB COc1cc(CNC(=O)Nc2cc(C)on2)ccc1OCc1ccccc1 40012733 LTZADYGGBOBACT-UHFFFAOYSA-N 367.405 3.892 0 40 FHAB CC(C)(C)c1noc(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)n1 40090257 TYVUJYYBHVCVPV-OAHLLOKOSA-N 367.453 3.540 0 40 FHAB Cc1ccc(CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 42646678 ACUPPXMEISUQKM-UHFFFAOYSA-N 370.758 3.922 0 40 FHAB COc1cc(C)ccc1Oc1ccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cn1 48239907 IFLPWIRYBINGDC-GJZGRUSLSA-N 371.437 3.832 0 40 FHAB CS(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1 58201047 IJGLBRBLECYDPB-UHFFFAOYSA-N 373.356 3.721 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)c1c(F)cccc1F 64800324 IEQPUUFLGIRENE-UHFFFAOYSA-N 370.403 3.842 0 40 FHAB Cc1cc(C)c(CN2CCCc3c(NS(C)(=O)=O)cccc32)c(C)c1 64953088 ITCWVFLMZMSEAV-UHFFFAOYSA-N 358.507 3.936 0 40 FHAB Cc1ccccc1C(=O)N1[C@@H](C(=O)O)COC12CCC(C(C)(C)C)CC2 71980452 BCFDOCLFQKMTEC-FIWNRLKKSA-N 359.466 3.853 0 40 FHAB c1cc2c(-c3ccc(N4CCNCC4)cc3)cc(NC3CCCC3)nc2[nH]1 72409132 HZGMYAFBXOYFGD-UHFFFAOYSA-N 361.493 3.994 0 40 FHAB CCOc1ccccc1C(=O)N[C@@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 78950965 WYQNRELONINZBM-SUMWQHHRSA-N 368.433 3.686 0 40 FHAB Cn1cc(CC(=O)NCCc2nc(C(C)(C)C)cs2)c2ccccc21 79474612 YONFMDKUGJKKBR-UHFFFAOYSA-N 355.507 3.834 0 40 FHAB Cc1ccccc1COC1CCN(C(=O)C[C@H](O)c2ccccc2)CC1 89355344 WWUZACKKKAKKNT-NRFANRHFSA-N 353.462 3.626 0 40 FHAB Cc1cc(CC(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)no1 96001325 SDGPQYLAFPBWFZ-QGZVFWFLSA-N 366.421 3.719 0 40 FHAB CN(CC1CCN(C(=O)C(C)(C)C)CC1)[C@@H]1CCCN(c2ccccc2)C1 96012973 FBGGHUSTSPHKGF-OAQYLSRUSA-N 371.569 3.872 0 40 FHAB O=C([C@@H]1CC2(CCN(Cc3ccco3)CC2)c2ccccc21)N1CCCC1 96079324 OVDHDDKJTQOJLP-HXUWFJFHSA-N 364.489 3.923 0 40 FHAB c1coc(CN2CCC3(CC2)C[C@H](N[C@@H]2CCOC2)c2ccccc2O3)c1 96079855 FNQIRBRMTNLLTF-XLIONFOSSA-N 368.477 3.517 0 40 FHAB Cc1ccccc1CCC(=O)N1CCC2(CC1)C[C@@H](OCC1CC1)CO2 96106625 OXDCHMCTJNENDN-HXUWFJFHSA-N 357.494 3.504 0 40 FHAB CC(C)n1c(CCNC(=O)c2n[nH]c3c2CCCCC3)nc2ccccc21 96231453 HUWSUPAWVOCQIA-UHFFFAOYSA-N 365.481 3.582 0 40 FHAB Cc1ccc(C2=C[C@H](c3cccs3)n3nc(CCCO)nc3N2)cc1 100892654 CZSIDFUMVQCYBY-MRXNPFEDSA-N 352.463 3.629 0 40 FHAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)[C@H]1CCCC[C@H]1C(F)(F)F 106125178 LOUKZYJXKZQJDB-BHYGNILZSA-N 354.416 3.998 0 40 FHAB Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c1CC(C)C 146751712 CVZZXXPJPJIHNE-UHFFFAOYSA-N 351.446 3.546 0 40 FHAB C[C@](O)(CNC(=O)NCc1ccc(F)cc1)c1cc2ccccc2s1 217522042 ROVOVTWPYSLNLM-IBGZPJMESA-N 358.438 3.747 0 40 FHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1nc(-c2ccccc2)no1 219332825 LKWTYEJAOAUJGA-GOSISDBHSA-N 365.433 3.827 0 40 FHAB COc1ccccc1CNC(=O)CCCN1C(=O)c2cccc3cccc1c23 219456087 GNZBXRCKNRAKSR-UHFFFAOYSA-N 374.440 3.905 0 40 FHAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 222398847 FREQPPLGKALRJT-KRWDZBQOSA-N 370.518 3.559 0 40 FHAB CCOc1ccccc1CN(C)S(=O)(=O)c1ccc(OC)c(Cl)c1 223732674 XNAQPOGTWLQPPA-UHFFFAOYSA-N 369.870 3.568 0 40 FHAB COc1cccc(-c2cnc(CCC(=O)NCCc3ccccc3)o2)c1 224843625 CIEIRBXLEQNZHU-UHFFFAOYSA-N 350.418 3.642 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)cc1 408550472 CRWJYHAZHASZMV-MRXNPFEDSA-N 374.506 3.732 0 40 FHAB Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3cccnc3)n2)cc1 409385170 JUBJOGUNPQJFPV-UHFFFAOYSA-N 350.447 3.886 0 40 FHAB CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc(N(C)C)c(F)c1 607858448 QTPQWTJKPRHBDK-UHFFFAOYSA-N 371.456 3.609 0 40 FHAB Cc1cncc(CCNC(=O)CCCOc2ccc(C(C)(C)C)cc2C)n1 619205547 CPWJUHVLHPXLMM-UHFFFAOYSA-N 369.509 3.909 0 40 FHAB CC(C)(C)[C@H]1CCN(C(=O)c2nnc(-c3c(F)cccc3F)s2)C1 669394212 CTZWSRKQNRVBPI-JTQLQIEISA-N 351.422 3.992 0 40 FHAB CN(CC1CCC1)S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 1213939844 ZIKYDZOXALJKAQ-UHFFFAOYSA-N 357.903 3.940 0 40 FHAB Cc1ncoc1C(=O)N1CCC[C@]12CN(c1cccc(F)c1)C(C)(C)C2 1615152643 BOAYVEHCWVJKEE-FQEVSTJZSA-N 357.429 3.786 0 40 FHAB COc1ccc2ccc(C[C@H](CC(=O)O)NC(=O)OC(C)(C)C)cc2c1 1772714674 GWRBVNZADVWKRB-MRXNPFEDSA-N 359.422 3.759 0 40 FHAB C/C=C/c1ccc(OCC(=O)Nc2ccc(OC)c(OC)c2)c(OC)c1 2647414 LBIVUYDFHLLJJG-AATRIKPKSA-N 357.406 3.763 0 40 FHAB CCOc1cc([C@H]2N[C@H](C(=O)O)CS2)ccc1OCc1cccc(C)c1 807754 WGTNRVFHDJIHAW-LPHOPBHVSA-N 373.474 3.761 0 40 FHAB Cc1cc2c(cc1C)[n+](C)cn2C[C@@H](O)COc1ccc2ccccc2c1 889920 QKTBEIYLSCDSPD-HXUWFJFHSA-N 361.465 3.676 0 40 FHAB Brc1c(CSc2nc3ccccc3[nH]2)nc2ncccn12 939020 QSRGCZLYZDBJOL-UHFFFAOYSA-N 360.240 3.660 0 40 FHAB O=C(NCCCn1ccccc1=O)c1ccc(C2SCCCS2)cc1 60787579 KXXPTPBVYHITKO-UHFFFAOYSA-N 374.531 3.537 0 40 FHAB COc1ccc(N[C@@H](NC(=O)c2cccs2)C(=O)c2ccccc2)cc1 1452561 JDXVSVLIZYHQDW-IBGZPJMESA-N 366.442 3.808 0 40 FHAB CCC1=NN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@@](O)(C(F)(F)F)C1 4200082 CEQDSTPOSKHLPH-KRWDZBQOSA-N 372.387 3.612 0 40 FHAB CCc1ccc(C2=Nn3c(nnc3-c3ccc(OC)cc3)SC2)cc1 4586108 MLYYDKUQWXWACY-UHFFFAOYSA-N 350.447 3.874 0 40 FHAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cccc(C[S@@](C)=O)c1 53543090 IONLAOKYAOWOJS-NSYGIPOTSA-N 359.491 3.910 0 40 FHAB COc1ccc(C)cc1NC(=O)CCc1nc(-c2ccc(C)cc2)no1 4920889 FQEILUVMGKUZCM-UHFFFAOYSA-N 351.406 3.933 0 40 FHAB CC(=O)N[C@H](CC(=O)Nc1ccc(Br)cc1)c1ccccc1 7609524 VPKYPYPQDQACPX-MRXNPFEDSA-N 361.239 3.655 0 40 FHAB COc1cc(OC)c(C(=O)OCc2ncc(-c3ccccc3)o2)cc1OC 7646984 RGUVMEYWJJTMEJ-UHFFFAOYSA-N 369.373 3.724 0 40 FHAB Cc1ccc(SCC(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)cc1 7978900 PDQWJNZFXKBNGS-HNNXBMFYSA-N 355.459 3.608 0 40 FHAB Cc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1c(C)cccc1C 8415792 JBYKLEKEHGMOAA-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB Cc1ccc(NC(=O)C2CCN(CC(F)(F)F)CC2)c2cccnc12 47249981 LMXUIVOZDJJAOR-UHFFFAOYSA-N 351.372 3.756 0 40 FHAB Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)C[C@@H]1CCCO1 106119108 YWZLFQOGSBFIPD-RKVPGOIHSA-N 358.482 3.621 0 40 FHAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccc(-c3cnco3)cc2)cc1 69742385 ZAZMCQKYJKDTHA-UHFFFAOYSA-N 372.384 3.558 0 40 FHAB O=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCCCN1C(=O)c1ccccc1 107334407 IZENGFWMMZMWST-FFGOWVMKSA-N 354.494 3.624 0 40 FHAB O=C(Nc1ccccc1N1CCOCC1)c1cccc(C(F)(F)F)c1 3116952 DZEGBEVHWLBRIO-UHFFFAOYSA-N 350.340 3.794 0 40 FHAB Cc1cc2nc(NCC[C@@H]3C(=O)Nc4ccccc43)c3ccccc3n2n1 26761863 JQGLAANZGIXOTD-HNNXBMFYSA-N 357.417 3.729 0 40 FHAB CC(C)[C@H](NCC(=O)NC(=O)NCc1ccccc1)c1ccc(Cl)cc1 57585389 LUNAQXMSLVXTEM-IBGZPJMESA-N 373.884 3.653 0 40 FHAB CCc1ccc(-c2nc(CC(=O)Nc3ccc(C(N)=O)cc3)cs2)cc1 12598892 PZSKRWRRZYMDCJ-UHFFFAOYSA-N 365.458 3.653 0 40 FHAB CCN(CC)C(=O)c1ccc(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)cc1 27223074 HNVRJWGZAXNWDQ-UHFFFAOYSA-N 367.449 3.576 0 40 FHAB Cc1cc(C)c(NC(=O)CN(C)C(=S)NCc2cccs2)c(C)c1 47808597 XSGYEHYOOCHDFR-UHFFFAOYSA-N 361.536 3.618 0 40 FHAB O=C(CSc1nnc(NC(=O)c2ccsc2)s1)c1ccccc1 61997212 JSGORJQUFTXTNK-UHFFFAOYSA-N 361.473 3.827 0 40 FHAB CCCC(=O)Nc1cccc(NCC(=O)Nc2ccccc2C(C)=O)c1C 58178337 BCQBFRRIZOUZMD-UHFFFAOYSA-N 367.449 3.987 0 40 FHAB CC(C)(C)c1ccc(C(=O)N2CC(=O)N3CCc4ccccc4[C@H]3C2)cc1 36070975 VGCOOPZDXRIFPR-HXUWFJFHSA-N 362.473 3.566 0 40 FHAB CC(=O)Nc1ccc(F)c(NC(=O)CC2(C(=O)O)CCCCCC2)c1 44830422 XITIIANNIOLFOA-UHFFFAOYSA-N 350.390 3.538 0 40 FHAB Cc1ccc(NC(=O)C[C@H]2C=CCC2)cc1NC(=O)CN1CCCCC1 58208643 XPFVIAPHZIOQDP-KRWDZBQOSA-N 355.482 3.714 0 40 FHAB O=C(CCCc1nc2ccccc2s1)NCc1ccc2c(c1)OCO2 3292570 MWFQMYKSAFKEEQ-UHFFFAOYSA-N 354.431 3.664 0 40 FHAB CCCOc1cc(C)c(Cl)cc1S(=O)(=O)NCc1ccccc1 2182644 FAURQROSCIVBGA-UHFFFAOYSA-N 353.871 3.916 0 40 FHAB C[C@@H]1CCC[C@@H](NC(=O)[C@@H](C)n2c(S)nnc2-c2cccs2)C1 58421320 IJWYQZNVXIHWGR-IJLUTSLNSA-N 350.513 3.551 0 40 FHAB COc1ccc(OCCCC(=O)NCCOc2ccc(C)cc2C)cc1 23961239 HDHOHSMQSXGBJR-UHFFFAOYSA-N 357.450 3.666 0 40 FHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)NCc2nc(C)cs2)c1 45357941 OVSFDZNLQCDDAG-HNNXBMFYSA-N 361.467 3.515 0 40 FHAB O=C(NCCc1nnc2ccccn12)c1ccc(-c2ccccc2F)s1 48289075 QJLWEXVKFAKNJN-UHFFFAOYSA-N 366.421 3.569 0 40 FHAB CCn1c(SCCC(=O)OC)nc2scc(-c3ccccc3)c2c1=O 12736142 ACWRJCNWIKYGPW-UHFFFAOYSA-N 374.487 3.800 0 40 FHAB CCCN1CCC(NC(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 48338642 ZIUILOXWKVCCAC-LBPRGKRZSA-N 359.297 3.751 0 40 FHAB CN(C)C(=O)Cc1nc(-c2ccccc2)c(C(=O)Nc2ccccc2)s1 48363662 QGFMIPZIJIQLLG-UHFFFAOYSA-N 365.458 3.693 0 40 FHAB CCOc1ccccc1NC(=O)COc1ncnc2sc(C)c(C)c12 3599927 QWSSQAPMUNUTTR-UHFFFAOYSA-N 357.435 3.724 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nnc2ccccn12 3505517 YLGMAJHFOVQXTE-SNVBAGLBSA-N 362.842 3.511 0 40 FHAB CC[C@H]1CCc2c(sc(NC(=O)c3ccccc3OC)c2C(N)=O)C1 6122395 MZBOCADIBQRXAW-NSHDSACASA-N 358.463 3.623 0 40 FHAB CC(=O)c1cn(CC(=O)NCCOc2ccc(Cl)cc2)c2ccccc12 4383936 INSIUFXPABVSJY-UHFFFAOYSA-N 370.836 3.693 0 40 FHAB CCC(=O)Nc1ccc(Br)cc1-c1nc2ccccc2[nH]c1=O 4320254 JKLJAXKSIPGWHY-UHFFFAOYSA-N 372.222 3.701 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1 6315661 CFRXDYKWBGJQNU-UHFFFAOYSA-N 356.241 3.649 0 40 FHAB Cc1nc(NC(=O)COC(=O)CCc2ccccc2)c(Cl)cc1Cl 6375112 HFGLAEQFSDFQIQ-UHFFFAOYSA-N 367.232 3.811 0 40 FHAB Cc1sc2nc([C@H](C)OC(=O)Cc3ccc(F)cc3)[nH]c(=O)c2c1C 5357983 GWPIUQWKHGJSCT-JTQLQIEISA-N 360.410 3.587 0 40 FHAB CC[C@@H](C(=O)N1CCC(c2nnc3n2CCCCC3)CC1)c1ccccc1 19500533 RTFIWGJWTRMJDG-LJQANCHMSA-N 366.509 3.904 0 40 FHAB COc1ccc(NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 5859420 VISKQWDAPMYXHI-UHFFFAOYSA-N 371.433 3.797 0 40 FHAB C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccccn1 7058993 LLZYPGCOLQRWHU-SECBINFHSA-N 364.776 3.793 0 40 FHAB Cc1ccc(-c2nc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cs2)cc1 15515181 UABCPFLIEDKLIK-UHFFFAOYSA-N 350.403 3.540 0 40 FHAB COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=O)c3ccccc32)o1 15661984 WKQSBMJCXOISHH-PDGQHHTCSA-N 373.364 3.544 0 40 FHAB Cc1ccc2nc(CSc3nnnn3-c3ccc(Cl)cc3)cn2c1 9367130 LZKAFTJROISIDZ-UHFFFAOYSA-N 356.842 3.564 0 40 FHAB CC[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccc(C)cc1 8026096 UIOWWVYGLSOXIC-HXUWFJFHSA-N 350.462 3.932 0 40 FHAB O=C(OCc1nc(-c2ccccc2)no1)C1=Cc2cc(Cl)ccc2OC1 16699309 PNJCBNXCUGNWPY-UHFFFAOYSA-N 368.776 3.909 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)CN(C)[C@@H]2CCCc3ccccc32)c1C 8126325 XBDUNYKHYHIULJ-QGZVFWFLSA-N 354.450 3.610 0 40 FHAB O=c1[nH]c2ccc(Nc3nc(-c4cccnc4)nc4ccccc34)cc2[nH]1 8198096 BXDMYBOPNFRKHB-UHFFFAOYSA-N 354.373 3.605 0 40 FHAB Cc1ccc(Nc2nc(N)nc(CN3CCC[C@@H]3c3cccs3)n2)cc1 8230436 ZRYVPRYLYAVMQF-OAHLLOKOSA-N 366.494 3.904 0 40 FHAB O=c1[nH]c2ccccc2c(-c2ccc(Cl)cc2)c1CN1CCOCC1 72314642 YSVWDNXIUQGHRC-UHFFFAOYSA-N 354.837 3.681 0 40 FHAB COc1cccc(OCc2nn3c(-c4ccc(C)cc4)nnc3s2)c1 72333601 DDOZVZXITKROHH-UHFFFAOYSA-N 352.419 3.749 0 40 FHAB O=C(CCNc1ncnc2sc3c(c12)CCCC3)NC1CCCCC1 84618600 YHNFXDYKDLSDEN-UHFFFAOYSA-N 358.511 3.821 0 40 FHAB CC[C@H]1CN(C(=O)c2oc(C)cc2C)CC[C@H]1NC(=O)OC(C)(C)C 95441484 LKFOJGZFTVJQIX-LSDHHAIUSA-N 350.459 3.662 0 40 FHAB O=C(CCn1ccc2ccc(Cl)cc21)NCc1nc2ccccc2[nH]1 95475499 SGELCMDXFMTMJH-UHFFFAOYSA-N 352.825 3.878 0 40 FHAB COc1ccc([C@H]2CCCCCN2Cc2cc(=O)n3ccsc3n2)cc1 9913999 AWTKPJCACNPHSN-GOSISDBHSA-N 369.490 3.882 0 40 FHAB O=C(Cc1cccc2ccccc12)NCC(=O)Nc1cccc2cccnc12 9996190 AQUVUHPLOUOMDA-UHFFFAOYSA-N 369.424 3.685 0 40 FHAB CCCCC1=NN(C(=O)CSCc2ccccc2)[C@](O)(C(F)(F)F)C1 409359775 NNNAZEJKJGBLAR-MRXNPFEDSA-N 374.428 3.949 0 40 FHAB CC(C)C[C@@H]1C[C@H]1NC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1 1528399325 RGVBPZPJOPHDFQ-SJLPKXTDSA-N 363.523 3.714 0 40 FHAB CC[C@H](NC(=O)N[C@H](Cc1ccccc1)CN(C)C)c1ccc(OC)cc1 71999557 QMSWBSSPARRCIM-CTNGQTDRSA-N 369.509 3.618 0 40 FHAB CC(C)Oc1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1 38772531 ZBAHDFUHTCQIFF-UHFFFAOYSA-N 354.450 3.558 0 40 FHAB O=C(CSCc1ccccc1)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2 38709325 FQSLURGRPCXQIT-UHFFFAOYSA-N 366.486 3.858 0 40 FHAB O=C(O)C1CCN(c2ccc(SCc3ccc(Cl)cc3)nn2)CC1 71289433 OLUHENVBYULOCM-UHFFFAOYSA-N 363.870 3.723 0 40 FHAB Cc1ccc(-n2ccc(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)n2)cc1 33300379 BPIREDWIVSHDNI-UHFFFAOYSA-N 364.792 3.911 0 40 FHAB Cc1ccc2nc(C3CN(C(=O)c4cc(-c5cccs5)[nH]n4)C3)[nH]c2c1 75156440 REMCMWGORBHURS-UHFFFAOYSA-N 363.446 3.563 0 40 FHAB c1ccc(CN2CCCC[C@@H]2c2ccnc(Nc3nccs3)n2)nc1 72377657 YCIDCIHRGGGLLO-MRXNPFEDSA-N 352.467 3.799 0 40 FHAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1CCC(C)CC1 223111819 SORTWPFPXXKRPC-QFIPXVFZSA-N 372.553 3.961 0 40 FHAB CCCO[C@]1(C(=O)Nc2ccc(OC)c(C(=O)OC)c2)CCC[C@H](C)C1 225853283 HDWRDKPXQVTHST-VBKZILBWSA-N 363.454 3.796 0 40 FHAB C[C@H](Oc1cccc2ccccc12)C(=O)NCCOc1ccc(F)cc1 224289583 RCDMCSDQHKIFGW-HNNXBMFYSA-N 353.393 3.941 0 40 FHAB C[C@@H](O)c1cccc(NC(=O)c2cccc(I)c2)c1 226274175 XMNMXVBMVHMBBY-SNVBAGLBSA-N 367.186 3.597 0 40 FHAB COc1cc(N)cc(Cl)c1NC(=O)c1cccc(Br)c1 227146727 KGPSUZODHCCPMZ-UHFFFAOYSA-N 355.619 3.946 0 40 FHAB Cc1ccc([C@H]2C[C@H](C)N(S(=O)(=O)Cc3noc4ccccc34)C2)cc1 330186581 SDJBBVMHUGQDSC-RDJZCZTQSA-N 370.474 3.844 0 40 FHAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)n1C 223377555 BLFDWNLUALGEFQ-VQTJNVASSA-N 362.502 3.901 0 40 FHAB c1ccc2c(c1)[C@H](N[C@@H]1CCOC1)CC21CCN(Cc2nccs2)CC1 96241486 YZYFEDWDMSHYBV-VQIMIIECSA-N 369.534 3.500 0 40 FHAB Cc1nc2nnc3ccc(C(=O)N4CCCC4)cc3c2n1Cc1ccccc1 96146600 RBIKKAKHLUIICW-UHFFFAOYSA-N 371.444 3.572 0 40 FHAB CCOC[C@@H]1CC2(CCN(C(=O)c3csc4ccccc34)CC2)CO1 96105936 UVAKHISRMATFCS-HNNXBMFYSA-N 359.491 3.949 0 40 FHAB O=C(c1ccsc1)N1CCC2(CCN(Cc3ccccn3)CC2)CC1 96071756 RNBVFIMWOSYDCF-UHFFFAOYSA-N 355.507 3.662 0 40 FHAB C[C@@]12CC[C@@H]3C[C@]1(C(=O)Nc1cccc(Br)c1)OC[C@]32C 252444407 UAJZCPXXQSZQGY-KLWIRTJPSA-N 350.256 3.983 0 40 FHAB COc1ccc2occ(C(=O)N3CCN[C@@H](c4ccccc4Cl)C3)c2c1 585080096 FYBMMYQXZLNZMC-GOSISDBHSA-N 370.836 3.882 0 40 FHAB CN(Cc1c(C(=O)O)sc2cccc(F)c12)C[C@H]1CCCC[C@H]1O 1598506188 YLHVBWVSXYVKRD-BXUZGUMPSA-N 351.443 3.722 0 40 FHAB Cc1cccc(CC2CN(C(=O)N[C@H](C)[C@H]3COc4ccccc43)C2)c1 1616045574 LMXCDDVAHJZPQE-OXQOHEQNSA-N 350.462 3.744 0 40 FHAB CCOc1cc2c(cc1NC(=O)C[C@@H]1NCc3ccccc31)O[C@@H](C)C2 659267272 YUXKOLSWZVXXST-GUYCJALGSA-N 352.434 3.582 0 40 FHAB CO[C@H]1CCC[C@@H](CC(=O)NCc2c(C(=O)O)sc3ccccc23)C1 668275069 REZVBJWYUIAXLJ-OLZOCXBDSA-N 361.463 3.811 0 40 FHAB O=C(N[C@@H]1C[C@H]1Nc1nc(C(F)(F)F)nc2ccccc12)c1ccccc1 1775988479 HPZYSGBPNNKULF-HUUCEWRRSA-N 372.350 3.631 0 40 FHAB Cc1csc(C(=O)N2CCC(Oc3cnc4ccccc4n3)CC2)c1 90678640 WXULKWKIUJCMSZ-UHFFFAOYSA-N 353.447 3.683 0 40 FHAB O=C(c1cccc(Cl)c1)N1CC2(C[C@H](OCc3ccccn3)CS2)C1 585105443 WOWLNOMBBNCWRB-KRWDZBQOSA-N 374.893 3.652 0 40 FHAB COc1ccc2c(c1)OCC(/C=C1/N=C(c3ccc(C)c(C)c3)OC1=O)=C2 96939621 WUZQFQYFEFOTHV-VXLYETTFSA-N 361.397 3.975 0 40 FHAB CC1(C)C[C@@]2(CCCN2C(=O)Cc2ccccn2)CN1c1cccc(F)c1 1615129957 XWVOXAMLXIDLIW-QFIPXVFZSA-N 367.468 3.813 0 40 FHAB CCn1cc(CN(C)Cc2n[nH]c3c2CCCC3)c2cc(OC)ccc21 12147139 DJQQRISWFOTJFZ-UHFFFAOYSA-N 352.482 3.904 0 40 FHAB CSc1ccc(CN2CCc3nc4cc(C5CC5)nn4c(O)c3C2)cc1 12667064 QWIUCLROTXBBPA-UHFFFAOYSA-N 366.490 3.593 0 40 FHAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)Cc1ccc(Br)cc1 13673236 UKRIKHHVTKEHRK-GFCCVEGCSA-N 366.280 3.730 0 40 FHAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3ccc4c(c3)CCC4)ccc12 15336893 GRVFLLALJIAFKB-AWEZNQCLSA-N 363.413 3.996 0 40 FHAB O=C(Nc1ccccc1)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 16503579 SKGUBUSNHQPEOG-UHFFFAOYSA-N 370.408 3.778 0 40 FHAB Cc1ccc2nc(C(=O)N3CCC[C@H](COc4ccc(F)cc4)C3)cn2c1 19234341 BWIRIDJDOJSQFX-INIZCTEOSA-N 367.424 3.713 0 40 FHAB CCOc1ccccc1/C=C/C(=O)OCC(=O)NCc1ccccc1Cl 6010510 NLXDQGSQYFOYKM-VAWYXSNFSA-N 373.836 3.612 0 40 FHAB O=C(O)/C(=C/c1ccc2c(c1)OCCO2)Sc1nc2ccccc2[nH]1 7342875 FFQJYHFFJJAXFI-YBEGLDIGSA-N 354.387 3.552 0 40 FHAB CC(=O)N[C@H](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)c1cccs1 10087310 HZKJRGYMTQGWGN-XHDPSFHLSA-N 350.871 3.846 0 40 FHAB CCc1ncnc(N2CCC(COc3ccncc3Cl)CC2)c1F 1889108448 MENJIVHIZCXXNQ-UHFFFAOYSA-N 350.825 3.522 0 40 FHAB Cc1nccn1CC1CN(c2nc3c(C(F)(F)F)cccc3s2)C1 1889151731 KZWMJESGIHTOQJ-UHFFFAOYSA-N 352.385 3.956 0 40 FHAB COc1ccc(NS(=O)(=O)c2c(Cl)nc(C)c(Cl)c2C)cc1 1068216 WKOZIDLRXPLZPE-UHFFFAOYSA-N 361.250 3.815 0 40 FHAB CCn1cc(S(=O)(=O)CC(=O)Nc2cccc(C)c2C)c2ccccc21 2722204 LLIIDVBVXFKORF-UHFFFAOYSA-N 370.474 3.690 0 40 FHAB COc1cccc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2OC)c1 4033134 MJBKLSFTZJRYHW-UHFFFAOYSA-N 374.400 3.666 0 40 FHAB CCOc1ccc(N2C[C@H](CNC(=O)Nc3cccc(C)c3)CC2=O)cc1 9039463 YKSITCINXQQMDG-INIZCTEOSA-N 367.449 3.568 0 40 FHAB O=C(NCC1CCN(Cc2cccs2)CC1)c1ccc(F)c(F)c1 23128070 OACNZOLPMPHBQE-UHFFFAOYSA-N 350.434 3.668 0 40 FHAB CCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccc(O)c3)=NN12 10214136 KZBDEBINOOCCMS-HXUWFJFHSA-N 363.461 3.748 0 40 FHAB C[C@H](Sc1nncn1-c1ccccc1F)C(=O)NCC1CCCCC1 6129278 ZCAWMDXPUAMNGS-ZDUSSCGKSA-N 362.474 3.584 0 40 FHAB CC(=O)N1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1 13574365 MMKOBCHIMYGIPE-UHFFFAOYSA-N 353.447 3.573 0 40 FHAB O=C(NCc1ccccc1)N1CCCN(Cc2ccc(Cl)cc2)CC1 25532098 UCCYOCQWGGPWDC-UHFFFAOYSA-N 357.885 3.758 0 40 FHAB COc1ccc(CN(C)C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1 40104744 MCYCAAKAOGEMFS-UHFFFAOYSA-N 353.422 3.708 0 40 FHAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N[C@@H](C)CCCC(C)C)cc1 40160524 HZBMMUMXSOWCCF-JZHLQLGQSA-N 360.498 3.544 0 40 FHAB CCOC(=O)c1c(NS(=O)(=O)c2cccs2)sc2c1CCCC2 20168528 YCNXNJBLZUKDQF-UHFFFAOYSA-N 371.505 3.666 0 40 FHAB CC1CCC(NC(=O)C[S@@](=O)Cc2cccc(C(F)(F)F)c2)CC1 32765030 GFWXRNJUALKOQM-WGMVKITESA-N 361.429 3.649 0 40 FHAB C[C@H]1C[C@@H](OC(=O)c2cc3sc(Nc4ccccc4)nc3s2)C(=O)O1 32850669 YDJSBMUDKCSLGQ-GXSJLCMTSA-N 374.443 3.962 0 40 FHAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3cccc(OC(=O)c4cccs4)c3)C(=O)[C@@H]21 102593533 CDXAURGGILHKJY-ISTRZQFTSA-N 367.426 3.669 0 40 FHAB CCCC(=O)NC(=S)Nc1cc(-c2nc3ncccc3o2)ccc1C 724344 GYIHBXUUZRAEMG-UHFFFAOYSA-N 354.435 3.811 0 40 FHAB COc1cccc(-c2cnc(NCc3cc(OC)ccc3OC)n2C)c1 819133 BHZQBHOFMVIISZ-UHFFFAOYSA-N 353.422 3.725 0 40 FHAB COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1 867154 OVWURXPQQMTKHT-QGZVFWFLSA-N 371.824 3.615 0 40 FHAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc2c(n1)[nH]c1ccccc12 892346 RBTPPTCYSRUGPU-GFCCVEGCSA-N 363.446 3.934 0 40 FHAB Cc1ccc(-c2cc3nc(-c4ccccc4)cc(N(C)CCO)n3n2)cc1 1341216 TWWPNXHMVSXLSI-UHFFFAOYSA-N 358.445 3.800 0 40 FHAB COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(C)cc2F)cc1OC 1384799 MAUFMUIPMYEFGS-RMKNXTFCSA-N 374.437 3.678 0 40 FHAB Cc1cccc(Cn2cc(NS(=O)(=O)c3cc(C)ccc3C)cn2)c1 2791661 SOXQSXNOIULTMK-UHFFFAOYSA-N 355.463 3.657 0 40 FHAB O=C1OCC[C@H]1Sc1nnc(-c2ccccc2F)n1C1CCCCC1 3292066 AFMAZTSZKJBAET-OAHLLOKOSA-N 361.442 3.997 0 40 FHAB COc1ccc2nc(NC(=O)COc3ccc4c(c3)CCC4)sc2c1 3479203 OSLINOFCTRXPEN-UHFFFAOYSA-N 354.431 3.811 0 40 FHAB Cc1ccc(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)cc1 3503433 DROPMRKMWDEKOC-UHFFFAOYSA-N 353.205 3.680 0 40 FHAB CCCSc1nnc2c(n1)O[C@@H](c1cccnc1)Nc1ccccc1-2 4164609 LLQXODQFGJUBLR-INIZCTEOSA-N 351.435 3.939 0 40 FHAB CCOc1ccc(N2C[C@@H](C(=O)Nc3cc(C)cc(C)c3)CC2=O)cc1 4385207 QJRWDDJDJMUIEP-INIZCTEOSA-N 352.434 3.694 0 40 FHAB O=C(CCN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1 4615349 UHIIVFIHLMURHW-UHFFFAOYSA-N 361.848 3.630 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2C)cc1C 4860454 OCFNYUHKXMRSGK-UHFFFAOYSA-N 356.451 3.731 0 40 FHAB COc1ccc(CNC(=O)[C@H](CC(C)C)OC(=O)c2cccs2)cc1 4901090 LFWXFVPFPOPLNA-INIZCTEOSA-N 361.463 3.645 0 40 FHAB COCCn1c(SCc2cccc(Cl)c2)nc2ccccc2c1=O 5016058 OUTDZAAKJNUIFQ-UHFFFAOYSA-N 360.866 3.989 0 40 FHAB CC[C@@H](C)Nc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1 5017261 MBXQHRTUEPURHQ-CYBMUJFWSA-N 356.451 3.641 0 40 FHAB COc1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1 5259475 WCGJAGHUKXBQGR-UHFFFAOYSA-N 369.808 3.823 0 40 FHAB COc1ccccc1NC(=O)c1c(O)n(CC(C)C)c2ccccc2c1=O 5444168 OLDZWRRVZFOCPF-UHFFFAOYSA-N 366.417 3.624 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1nonc1-c1ccc(C)cc1 5483444 FGTNBCJGWLFXBS-HNNXBMFYSA-N 355.369 3.980 0 40 FHAB Cc1cc(Br)cc(C)c1NC(=O)COc1cccc(C=O)c1 5959981 BMLHDKUBBURAAL-UHFFFAOYSA-N 362.223 3.896 0 40 FHAB CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1 6316124 ADKREJZQQCKJES-UHFFFAOYSA-N 360.479 3.586 0 40 FHAB CN1CCc2c(sc3c2C(O)=N[C@@H](c2c(F)cccc2Cl)N3)C1 6857658 ZMPNFIPAUBCSCU-CQSZACIVSA-N 351.834 3.957 0 40 FHAB C[C@H](NS(=O)(=O)c1cccc(Cl)c1)c1ccc(-n2ccnc2)cc1 7050199 NLSOMYDTHYHKGA-ZDUSSCGKSA-N 361.854 3.565 0 40 FHAB Cc1occc1C(=O)OCc1nnc(-c2ccc(Br)s2)o1 7550708 XDCHFJBWRHVSEM-UHFFFAOYSA-N 369.196 3.819 0 40 FHAB O=C(/C=C/c1cccs1)OCc1nc2ccc(Cl)cc2n1CCO 7982755 WRMDZAKJKNKSRG-GQCTYLIASA-N 362.838 3.500 0 40 FHAB COc1ccc(C(=O)CSc2nc3ccccc3nc2C)c(OC)c1 8300248 ZZTBJUZHNIEAHQ-UHFFFAOYSA-N 354.431 3.930 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c(Br)c1 8368292 RTXVXYQTBYRJMD-CYBMUJFWSA-N 373.250 3.749 0 40 FHAB O=C(CCNC(=O)c1ccccc1Cl)Nc1cccc2cccnc12 9053037 MTPNVQWCIBLAGG-UHFFFAOYSA-N 353.809 3.647 0 40 FHAB COC(=O)c1ccc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1 9479311 QXFIETZSFMARGG-UHFFFAOYSA-N 372.764 3.534 0 40 FHAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(COc2ccc(F)cc2)o1 9646622 WLVSTTVLGDCUJX-UHFFFAOYSA-N 369.348 3.656 0 40 FHAB CC(=O)c1cc(C(=O)OCC(=O)Nc2cc(C)cc(C)c2)c2ccccn12 10272926 LSRGGCUKEUXMHI-UHFFFAOYSA-N 364.401 3.554 0 40 FHAB C[C@@H](NC(=O)c1cc2ccccc2s1)c1ccc(S(C)(=O)=O)cc1 10968678 YWEWIXHSPJFBEQ-GFCCVEGCSA-N 359.472 3.796 0 40 FHAB Cc1cccc(NC(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 11008639 UKOAKIUOYOZOIY-MRXNPFEDSA-N 353.470 3.724 0 40 FHAB COc1ccc(OC)c(NC(=O)CCc2ncc(-c3ccccc3)o2)c1 11428126 RKXVPZWGZPSCJZ-UHFFFAOYSA-N 352.390 3.930 0 40 FHAB O=C(OCc1cccc2cccnc12)c1ccc(CN2CCCC2=O)cc1 11540180 ZNUIKPODJBRZBH-UHFFFAOYSA-N 360.413 3.714 0 40 FHAB Cc1cc(-n2c(C)cc(C(=O)CSc3nccn3C3CC3)c2C)no1 11893745 VKHHCEHPKPCERS-UHFFFAOYSA-N 356.451 3.897 0 40 FHAB COc1ccc([C@@H]2[C@@H](NC(=O)Cn3nc(C)cc3C)[C@@H]3CCCC[C@H]32)cc1 12366619 MVLVSLMBYDHULT-WKDRNLAYSA-N 367.493 3.597 0 40 FHAB Cc1cccc(N2CCN(C(=O)c3cn[nH]c3-c3ccccc3)CC2)c1C 12529728 IOJPSCUMXNMFKI-UHFFFAOYSA-N 360.461 3.656 0 40 FHAB CCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1C 12536291 KSGSNNJXFSAGBQ-UHFFFAOYSA-N 352.843 3.798 0 40 FHAB COc1ccc(Cl)cc1NC(=O)CNc1ccccc1N1CCCC1=O 12564256 WBFTVQYQQHUMIT-UHFFFAOYSA-N 373.840 3.526 0 40 FHAB Cc1cccc(OCCCn2c(C(F)(F)F)nn3c(=O)cc(C)cc23)c1 12696754 GBRRNDBORSKXGD-UHFFFAOYSA-N 365.355 3.601 0 40 FHAB Cc1ccc(CCC(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc1 12744724 KTAWRRAHAKGEJI-HOTGVXAUSA-N 373.522 3.632 0 40 FHAB NC(=O)C1CCN(C(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)CC1 12805283 ZFIXNQNLHXMOAD-UHFFFAOYSA-N 367.232 3.591 0 40 FHAB COC(=O)C1(NC(=O)C(c2ccccc2)c2ccccc2)CCCCC1 12818027 HJJDWJFXHYZQOR-UHFFFAOYSA-N 351.446 3.811 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)c2cnn(-c3cccc(C)c3)c2C)c1 12934561 HIWDSCMBVIPPHK-UHFFFAOYSA-N 363.417 3.836 0 40 FHAB O=C(N[C@@H](c1ccccc1)C1CC1)c1cccc(NC(=O)[C@H]2CCCO2)c1 13005578 MHELLAPBEZQPEL-UXHICEINSA-N 364.445 3.685 0 40 FHAB CCn1cnnc1S[C@@H](C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 14093042 UOQJVNVCMVGQPS-VIFPVBQESA-N 373.463 3.709 0 40 FHAB C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC[C@@H](C(F)(F)F)C1 14110199 DVZHCVANKATPKQ-WDEREUQCSA-N 366.330 3.889 0 40 FHAB Cc1cc(C)c2c(c1)N(CN(C)Cc1nc3ccccc3s1)C(=O)C2=O 14136801 XYEUNNPDAGQMOC-UHFFFAOYSA-N 365.458 3.532 0 40 FHAB C[C@@H]1CN(Cn2nc(-c3ccc(Cl)cc3Cl)[nH]c2=S)CCO1 14137963 KXHMFSWVAXQXIL-SECBINFHSA-N 359.282 3.593 0 40 FHAB Cc1nn(C)c(Cl)c1/C=C/C(=O)OCC(=O)c1c(C)[nH]c2ccccc12 14167789 JANPLNZBCYBJCV-CMDGGOBGSA-N 371.824 3.611 0 40 FHAB CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 14247132 LGLYAKUEKKEKNX-UHFFFAOYSA-N 359.253 3.686 0 40 FHAB Cc1ccc2c(CC(=O)N3CCN(C)c4nc5ccccc5nc43)coc2c1 14901103 IMFOZPVJQWVNDU-UHFFFAOYSA-N 372.428 3.710 0 40 FHAB CC(=O)Oc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1 15019302 YAZHISPKPQHWFL-LICLKQGHSA-N 371.389 3.988 0 40 FHAB Cc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCc2ccco2)cc1 16789737 YPOUJWMBWQPLAD-STZFKDTASA-N 374.440 3.984 0 40 FHAB CCOc1ccc(CC(=O)NCc2cc(-c3ccc(F)cc3F)on2)cc1 17307610 BUCQAOSZZIFBFW-UHFFFAOYSA-N 372.371 3.877 0 40 FHAB COc1ccccc1/C=C1/SC(=O)N(CNc2ccccc2F)C1=O 18193003 POTXFMDORIMQLE-MHWRWJLKSA-N 358.394 3.940 0 40 FHAB CC[C@H](C)C(=O)N1Cc2ccccc2OC2(CCC(N(C)C(C)=O)CC2)C1 19499903 NTEACTOZBKRKMQ-XQQGARBVSA-N 372.509 3.613 0 40 FHAB CC(C)CC(=O)Nc1nc(-c2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)cs1 19796654 VOVWSRAVMDBEQI-LLVKDONJSA-N 359.451 3.538 0 40 FHAB Cc1ccc(-n2cnc(C(=O)Nc3ccc(OC(F)(F)F)cc3)n2)cc1 19910719 CFMZNQCZRVIPGV-UHFFFAOYSA-N 362.311 3.727 0 40 FHAB COCc1nc2nc(-c3ccccc3)nn2c(N)c1-c1cccc(Cl)c1 20638526 BSZYEMDVVMCZAV-UHFFFAOYSA-N 365.824 3.840 0 40 FHAB COc1cccc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCC(C)CC2)c1 21659761 QEXLXXFQISXFDJ-IBGZPJMESA-N 356.466 3.800 0 40 FHAB O=C(NCc1nc2ccccc2s1)c1cccc(Nc2ncccn2)c1 24868420 GOHKJNAVXPARLK-UHFFFAOYSA-N 361.430 3.760 0 40 FHAB CC(=O)c1cccc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)c1 25432632 QKBXYTSMRFXJJX-UHFFFAOYSA-N 350.422 3.855 0 40 FHAB CCOC(=O)c1ccc(NCc2cccc(NC(=O)c3ccco3)c2)nc1 25571202 AZTPJXYIOAONPU-UHFFFAOYSA-N 365.389 3.716 0 40 FHAB O=C(CCN1CCC[C@@H]1C(=O)Nc1ccccc1)Nc1cccc(Cl)c1 25949998 KZHLMPRUTWTGAX-GOSISDBHSA-N 371.868 3.772 0 40 FHAB O=C1OC(c2ccccc2)=N/C1=C/c1ccc(OC(=O)c2ccco2)cc1 26962686 VJQCGMIRQNHCCL-GHRIWEEISA-N 359.337 3.843 0 40 FHAB CCc1ccc(OCC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 27582276 KGNLCMJXKKHAQF-SFHVURJKSA-N 358.507 3.643 0 40 FHAB Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)Nc1ccc2c(c1)CCC2 28235681 KNOBQCOAMOLMTP-LLVKDONJSA-N 351.372 3.974 0 40 FHAB Cc1nccn1-c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1 28244652 IUNCJRFWMNDYNZ-UHFFFAOYSA-N 361.380 3.962 0 40 FHAB O=C(NCc1cccnc1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 30522675 WAZQTLBXSGJATI-NRFANRHFSA-N 356.429 3.705 0 40 FHAB CCN(CC)[C@@H](CNC(=O)c1ccc(C(C)=O)s1)c1ccsc1 31985919 DIAOYAIOAZFYAF-AWEZNQCLSA-N 350.509 3.825 0 40 FHAB NC(=O)Nc1cccc(C(=O)NCc2cccc(Oc3ccccc3)c2)c1 32362356 MBJFHUNIGCMLPY-UHFFFAOYSA-N 361.401 3.900 0 40 FHAB COc1ccc(Cn2nccc2NC(=O)COc2cccc(C)c2C)cc1 32593706 XOYRWVCICQZZAW-UHFFFAOYSA-N 365.433 3.574 0 40 FHAB O=C1C[C@@H](C(=O)N2CCCSc3ccccc32)CN1c1ccccc1F 32676019 IUKRIUBMFPQERC-CQSZACIVSA-N 370.449 3.708 0 40 FHAB CCOc1ccc(C(C)=O)cc1COc1ccc(N2CCCC2=O)cc1 32765104 BYTOFPUTKCOUKP-UHFFFAOYSA-N 353.418 3.994 0 40 FHAB C[C@@H](NC(=O)CCc1nc2ccccc2s1)c1ccc(NC(N)=O)cc1 32926503 YYZAZEUYGWGWEP-GFCCVEGCSA-N 368.462 3.597 0 40 FHAB CC[C@H](C)c1ccc([C@@H](CC)NC(=O)c2cc(C)nc3ncnn23)cc1 36619529 PUYCXWTWIUOYPK-SUMWQHHRSA-N 351.454 3.827 0 40 FHAB C[C@@H](NC(=O)CCCNC(=O)c1ccsc1)c1cccc(Cl)c1 36625870 DOGYPSXWTKKJEZ-GFCCVEGCSA-N 350.871 3.789 0 40 FHAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCCN1C[C@@H](C)C[C@H](C)C1 38783556 SABPNMJUZZHYGV-BQFCYCMXSA-N 366.933 3.982 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)CSc1ccccc1)c1cccc(F)c1 40013233 MTSRDHUZDWOZME-SFHVURJKSA-N 355.438 3.557 0 40 FHAB CCOc1ccc(-c2nnc3sc(NC(=O)c4cccs4)nn23)cc1 41108774 ZFKAJSKARUOMLZ-UHFFFAOYSA-N 371.447 3.565 0 40 FHAB Cc1nc(-c2ncccn2)sc1C(=O)Nc1ccccc1N1CCCC1 47206194 VSTLZICMRTUHHE-UHFFFAOYSA-N 365.462 3.761 0 40 FHAB CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(C(=O)OC)cc2)cc1OC 48007560 WTHLJTZNOYBEPL-CYBMUJFWSA-N 372.421 3.763 0 40 FHAB COc1cc(CNC(=O)c2ccnc(Cl)c2)ccc1OC1CCCC1 48281370 XSVLGYXITKYANT-UHFFFAOYSA-N 360.841 3.995 0 40 FHAB O=C(NCc1cccc(Br)c1)c1cc(-c2cccs2)[nH]n1 51315969 LLMQYLCWWLYGQG-UHFFFAOYSA-N 362.252 3.831 0 40 FHAB CC(=O)Nc1cc(C(=O)N2CCCCC[C@H]2c2ccncc2)ccc1F 53513040 ZRCDPTURZSJPIO-IBGZPJMESA-N 355.413 3.937 0 40 FHAB Cc1ccc(C(=O)NCc2cccc(NC(=O)N3CCCC3)c2)cc1C 54349046 MQNMNPHWQHSESW-UHFFFAOYSA-N 351.450 3.861 0 40 FHAB Cc1nn(C)c2sc(C(=O)N[C@H](c3ccccc3)c3ccccn3)cc12 54671063 KGIAJVKNDXMVBG-GOSISDBHSA-N 362.458 3.858 0 40 FHAB CC(C)OCc1cccc(NC(=O)[C@H](NC(=O)c2ccco2)C(C)C)c1 58163257 ZUQNGTVVHRYQAX-GOSISDBHSA-N 358.438 3.598 0 40 FHAB CCO[C@H](C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl)c1ccccc1 58166484 BWOULKZNOHCSGQ-KRWDZBQOSA-N 360.841 3.758 0 40 FHAB O=C(CCC(=O)c1ccc(F)cc1F)Nc1cccc(-n2ccnc2)c1 58224164 XIRUIQZVCJKVLI-UHFFFAOYSA-N 355.344 3.752 0 40 FHAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)C3(c4ccc(F)cc4)CC3)c2)n1 58319281 DYXXQQODXHDZIL-UHFFFAOYSA-N 363.392 3.555 0 40 FHAB CCOc1ccc([C@@H](C)NC(=O)c2cccc(OC)c2OC)cc1OCC 60387855 SCMUXLHABTWSEV-CQSZACIVSA-N 373.449 3.992 0 40 FHAB O=C(Cc1ccccc1Cl)Nc1ccccc1S(=O)(=O)C(F)F 60392016 NNCKYACJEWCDRZ-UHFFFAOYSA-N 359.781 3.518 0 40 FHAB O=C(NCc1ccccc1F)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 67013444 YWIIFQQUXBJYPD-KRWDZBQOSA-N 366.795 3.901 0 40 FHAB CCc1ccc(-n2cc(C(=O)N3CC=C(c4ccccc4)CC3)nn2)cc1 67263221 LHVDBBRPYVCESM-UHFFFAOYSA-N 358.445 3.759 0 40 FHAB Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1ccc(C)n1C 68910843 NUEYGHOMUHRQEN-AWEZNQCLSA-N 353.466 3.766 0 40 FHAB Cc1cc(S(=O)(=O)Oc2ccc3c(c2)ncn3C)c(Cl)cc1Cl 70974683 HGFYLSZLSOVZDZ-UHFFFAOYSA-N 371.245 3.956 0 40 FHAB CCCCC(=O)N1CCC[C@H](N2CCc3cc(OC)c(OC)cc3[C@@H]2C)C1 72342507 BPMSWIXPPOYMTI-WMZOPIPTSA-N 374.525 3.804 0 40 FHAB CCC(=O)N1CCC[C@@](Cc2cccc(-c3ccccc3)c2)(C(=O)NC)C1 72391253 WESYEKBYHOCTHC-QHCPKHFHSA-N 364.489 3.661 0 40 FHAB COCc1ccc(C(=O)Nc2ccc(-n3nc(C)c(Cl)c3C)nc2)o1 72406473 RWWAOFALWXVQRQ-UHFFFAOYSA-N 360.801 3.529 0 40 FHAB COc1ccc(CNC(=O)CCc2ccc(Cl)cc2)c(OC)c1OC 74384637 DDKXITWNCHWYRE-UHFFFAOYSA-N 363.841 3.615 0 40 FHAB Cc1nn(C)c(C)c1[C@H]1SCC(O)=Nc2ncn(-c3cccc(F)c3)c21 95479215 BIIAKWTUZICJCB-QGZVFWFLSA-N 371.441 3.786 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1F 96170860 HOKMHBJMZBZNDZ-UHFFFAOYSA-N 362.195 3.837 0 40 FHAB O=C(NCc1cccs1)[C@H]1C[C@@]12CCN(C(=O)c1ccc(Cl)cc1)C2 96227659 SDAYMWRXZNYEKD-VQIMIIECSA-N 374.893 3.570 0 40 FHAB CC(C)n1c(CNC(=O)c2n[nH]c3c2CCCCC3)nc2ccccc21 96232123 DITLUHOKZYEURV-UHFFFAOYSA-N 351.454 3.539 0 40 FHAB O=C(Nc1ccnn1Cc1cccs1)c1coc(Br)c1 96997914 YXCAXAPVVPXXSY-UHFFFAOYSA-N 352.213 3.601 0 40 FHAB O=C(O)[C@H]1CCCN1C(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 100748498 SBZXMZAPYVGYQB-PYJXGMTCSA-N 353.462 3.600 0 40 FHAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N1CC=C(c2ccc(O)cc2)CC1 102222736 RPEXJKLQAXYJKS-TWVWUCKLSA-N 367.489 3.729 0 40 FHAB CCC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C/C1=C/C(=O)OCC 103879557 LFZYBLRISRNIIY-YUBJYXGFSA-N 373.493 3.913 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)NCC1(c2ccccc2)CCOCC1 223336208 AZGZTHDOGVUCAP-IBGZPJMESA-N 371.452 3.848 0 40 FHAB COc1cccc(-c2noc(CN(C)C(=O)Cc3ccccc3Cl)n2)c1 225442927 JBISQRGOPSEUFU-UHFFFAOYSA-N 371.824 3.600 0 40 FHAB O=C(Cc1cccc(Br)c1)NCCSc1ccccc1 225612566 QCCUKDCJNBDWEE-UHFFFAOYSA-N 350.281 3.900 0 40 FHAB CCOC1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCCC1 225706622 WNABILZORNQPAT-UHFFFAOYSA-N 360.498 3.839 0 40 FHAB CCOc1cc(CNC(=S)Nc2c(F)cccc2F)ccc1OC 225770813 FXLLMQMJOYYJLM-UHFFFAOYSA-N 352.406 3.859 0 40 FHAB COc1ccc(-c2nnc(NC(=O)c3ccc(OC)c(C)c3)s2)cc1 225777809 HVBWHNVHRLVFNP-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB CCCCCNC(=O)CCc1nc(-c2ccc(Br)cc2)no1 225820655 CPMXVTLJQFGTGB-UHFFFAOYSA-N 366.259 3.738 0 40 FHAB COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(C)=O)c(OC)c1 257273392 NGJKVKWNRILCPI-YFBSMOTNSA-N 373.493 3.722 0 40 FHAB COCCC(=O)N[C@@H]1C[C@H](c2ccc(Cl)cc2F)O[C@@H]2CCC[C@@H]12 257304088 SJZRGBIIXGWUTF-RKTXRCNFSA-N 355.837 3.631 0 40 FHAB c1cncc(-c2ccc3nc([C@@H]4CCN(Cc5cccs5)C4)nn3c2)c1 306124111 BGHCPONYBNOAJD-QGZVFWFLSA-N 361.474 3.842 0 40 FHAB Cc1cccc(CN2C[C@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccccc2)c1 306126957 FJZVLXOGDOPUTC-GOTSBHOMSA-N 371.484 3.878 0 40 FHAB C[C@H](C(=O)Nc1cc2nc(O)[nH]c2cc1N1CCCC1)c1ccccc1 408529274 IZPGBNQGMQEGMI-ZDUSSCGKSA-N 350.422 3.611 0 40 FHAB COc1ccc(N2C[C@H](C(=O)Oc3ccc(C(C)(C)C)cc3)CC2=O)cc1 408656928 HXLJECASFTZABD-OAHLLOKOSA-N 367.445 3.951 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 409002563 ORHXODMKXNCMGZ-JRGCBEDISA-N 364.489 3.723 0 40 FHAB O=C(CSc1nc(-c2ccco2)n[nH]1)Nc1cccc2ccccc12 409271976 WZJBNZGLEDSQJK-UHFFFAOYSA-N 350.403 3.949 0 40 FHAB CC[C@H](NC(=O)c1cnnc2ccccc12)c1nc(C(F)(F)F)cs1 528725457 YMPMZBQNQOLTTJ-NSHDSACASA-N 366.368 3.986 0 40 FHAB COc1ccc(F)cc1S(=O)(=O)NCc1ccc(-c2cccs2)o1 575609025 NCUBHJDNFGXQHP-UHFFFAOYSA-N 367.423 3.634 0 40 FHAB COC[C@H]1CN(Cc2cccs2)CC12CCN(Cc1ccoc1)CC2 585104247 XCRYSKWSQSIYGQ-GOSISDBHSA-N 360.523 3.702 0 40 FHAB CO[C@@H]1CCN(C(=O)/C=C/c2csc(C)n2)C[C@H]1Cc1ccc(C)cc1 585290653 SCFJGLPBYUXUCB-NREOILKTSA-N 370.518 3.879 0 40 FHAB Cc1cccc(C(=O)N[C@H](C)C(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)c1 608553472 MXOYFCSPTQCOCQ-LZLYRXPVSA-N 354.450 3.706 0 40 FHAB CO[C@H]1CCC2(CCN(C(=O)c3ncnc(C)c3C)CC2)c2ccccc21 1565556733 ZPIYKVZQHOKOFC-IBGZPJMESA-N 365.477 3.749 0 40 FHAB CCOc1ccccc1OCc1nn2c(CSC(C)C)nnc2s1 1776111037 PCBDSWJBTMCPNW-UHFFFAOYSA-N 364.496 3.805 0 40 FHAB Cc1nn(C)c(Cl)c1CNC[C@@H](c1ccccc1)N1CCC(C)CC1 60527693 OFAMFCMWOKIABS-IBGZPJMESA-N 360.933 3.945 0 40 FHAB O=C(Nc1cccc(NC(=O)c2cccc(F)c2)n1)c1cccc(F)c1 682301 ZYHFEALJPFPJKC-UHFFFAOYSA-N 353.328 3.864 0 40 FHAB Cc1cccc(Cn2nc(C)c(NS(=O)(=O)c3cccs3)c2C)c1 2792065 HUPBSZMJKRMVCA-UHFFFAOYSA-N 361.492 3.719 0 40 FHAB COC(=O)c1cc2ccccc2nc1N1CCO[C@H](c2cccc(F)c2)C1 78658481 XWIFHVKXOYGMDO-IBGZPJMESA-N 366.392 3.738 0 40 FHAB COc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)o1 4602375 MQIKTGVWUSDJJL-UHFFFAOYSA-N 359.382 3.615 0 40 FHAB CCCCC(=O)Nc1nnc(SCC(=O)N2[C@H](C)CCC[C@H]2C)s1 4904122 SSMGBVNXPUGUEF-VXGBXAGGSA-N 370.544 3.548 0 40 FHAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Oc2cc(C)cc(C)c2)CC1=O 7928762 NKNYQUFKZRMNPI-AWEZNQCLSA-N 373.836 3.924 0 40 FHAB CCOC(=O)c1oc2ccccc2c1COC(=O)c1c(CC)noc1C 7983691 LAAQOGSWUUJXTQ-UHFFFAOYSA-N 357.362 3.825 0 40 FHAB Cc1nc(SCCCn2c(=O)[nH]c3ccccc32)c2ccccc2n1 7987907 YKHDVSDKLPTPKF-UHFFFAOYSA-N 350.447 3.764 0 40 FHAB COc1c(C)cnc(CNC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)c1C 104089054 CKHKBDQPEWKVBX-SNEKZUEESA-N 362.901 3.901 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C 10473089 WWQZDXHWUOLMKQ-MRXNPFEDSA-N 354.450 3.931 0 40 FHAB Cc1ccccc1OCCOc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1 8571561 WSVOPMMHVHMSOP-NBVRZTHBSA-N 362.429 3.638 0 40 FHAB COc1ccc(C(=O)O)cc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1 20142526 REJGZMWQNQLEPI-UHFFFAOYSA-N 370.188 3.961 0 40 FHAB COc1ccc2[nH]cc(C3=CCN(C(=O)c4cc(C(C)=O)c[nH]4)CC3)c2c1 42970320 GVDBFXURRCHKTC-UHFFFAOYSA-N 363.417 3.637 0 40 FHAB Cc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccccc3)cs2)cc1 3049227 USJZZLMWFNXMED-UHFFFAOYSA-N 372.471 3.531 0 40 FHAB O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc(C2CCCCC2)cc1 1426212 WCTHCDZZQMKXMF-UHFFFAOYSA-N 373.474 3.942 0 40 FHAB CCOC(=O)[C@H]1C(O)=NC(c2ccccc2)=N[C@H]1c1ccc(Cl)cc1 1404413 REHLQDGLYUCDKJ-CVEARBPZSA-N 356.809 3.977 0 40 FHAB Cc1ccccc1OCC(=O)Nc1cnn(Cc2ccccc2Cl)c1 28230296 GXCSAMJESPUTEX-UHFFFAOYSA-N 355.825 3.911 0 40 FHAB O=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2ccccc2Cl)[nH]n1 57412243 DJNLWQFGPZRYHR-UHFFFAOYSA-N 355.781 3.754 0 40 FHAB C[C@@H](NCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1Cl 57524927 QBYPOSVCEHMYMB-CQSZACIVSA-N 371.868 3.756 0 40 FHAB C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc(Cl)cc1 12517260 UMCALPUSIQFXGB-ZDUSSCGKSA-N 357.841 3.906 0 40 FHAB O=C(NCCc1cccs1)c1csc(COc2ccc(F)cc2)n1 24839191 JEPCJBJAJCABCZ-UHFFFAOYSA-N 362.451 3.895 0 40 FHAB CCOC(=O)[C@@H]1C[C@@H]2CC[C@]1(C)C[C@]21NC(=O)c2cc(Cl)ccc2N1 100119064 OZSYVNDSCSKJEF-QAPVNSNLSA-N 362.857 3.581 0 40 FHAB COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2C)[nH]1 107938714 GZGIPOZWQIMYJT-UHFFFAOYSA-N 354.435 3.520 0 40 FHAB CN(C)[C@@H](CNC(=O)c1ccc(C2SCCS2)cc1)c1ccco1 21903072 HAFQTDSEYIJDDG-HNNXBMFYSA-N 362.520 3.791 0 40 FHAB C[C@@H]1C[C@@H](C)CN(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C1 12601794 UGIMLWFYZFHTQV-HFAKWTLXSA-N 352.887 3.647 0 40 FHAB O=C1CCc2cc(C(=O)CSc3ccc(C(F)(F)F)cn3)ccc2N1 45103324 FPTDHWQBSNXOEB-UHFFFAOYSA-N 366.364 3.960 0 40 FHAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=S)NCc1ccccc1 2337427 UPTRVZZQLFIQCI-UHFFFAOYSA-N 353.447 3.750 0 40 FHAB COc1ccc(NCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1Cl 11257300 KJHBJAQQOCYDKT-LBPRGKRZSA-N 373.840 3.524 0 40 FHAB COC(=O)C1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc23)CC1 3304490 QEYIUAMGYYGCQT-UHFFFAOYSA-N 364.401 3.520 0 40 FHAB O=C(CCc1ccc(F)c(F)c1)/N=c1\ccccn1Cc1ccccc1 28836442 QBNAWZFXKQPPRN-HIXSDJFHSA-N 352.384 3.875 0 40 FHAB Cc1ccc(COc2ccc(/C=C/C(=O)NCCCC(=O)O)cc2)cc1 62715060 PQKHLQDXNPMEGV-JLHYYAGUSA-N 353.418 3.568 0 40 FHAB O=C(CCC(=O)c1ccccc1)Nc1cccc(C(=O)N2CCCC2)c1 29266564 ONPNEGBWGGZBAU-UHFFFAOYSA-N 350.418 3.524 0 40 FHAB Cc1ccc(C(=O)c2ccc(CN3CCC4(CC3)OCCO4)cc2)c(C)c1 2514735 AHFLMBYHJKWLIA-UHFFFAOYSA-N 365.473 3.873 0 40 FHAB COC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@H]1c1c(F)cccc1Cl 12799683 PRVNHBNKIFRNHG-OAHLLOKOSA-N 354.809 3.648 0 40 FHAB CC[C@H](Sc1nncn1[C@H](C)c1ccccc1)C(=O)Nc1cc(C)on1 48355500 KMSWDFBJRSNABH-HIFRSBDPSA-N 371.466 3.693 0 40 FHAB O=C(NCCc1ccc2c(c1)OCO2)Nc1ccc(OC(F)(F)F)cc1 48325675 HYSPCVSTXKXYQJ-UHFFFAOYSA-N 368.311 3.678 0 40 FHAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 48331721 NVXGPWPUHQINDK-GOEBONIOSA-N 372.513 3.585 0 40 FHAB C/C=C/C(=O)OCC(=O)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2 8709766 IOURCJUIZLGZJH-DUXPYHPUSA-N 357.450 3.696 0 40 FHAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1cc(F)cc(F)c1 18254962 KNWWSCQPUAKGAN-UHFFFAOYSA-N 352.724 3.555 0 40 FHAB CC(=O)c1ccc(NC(=O)COC(=O)c2cc3ccccc3cc2O)cc1 3513376 KVYAVSWIQSIKMP-UHFFFAOYSA-N 363.369 3.544 0 40 FHAB CCOc1ccc2nc(SCC(=O)N(C)Cc3ccccc3)[nH]c2c1 12970395 JZKCDQPSEDSBDW-UHFFFAOYSA-N 355.463 3.712 0 40 FHAB COc1cc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)ccc1OC(C)C 12909418 JZIUWUYNEQKXTA-UHFFFAOYSA-N 368.433 3.627 0 40 FHAB O=C(NCC1(c2ccccc2)CC1)c1ccc(NC(=O)c2ccco2)cc1 8919673 JPTFDDBNXQJPTE-UHFFFAOYSA-N 360.413 3.994 0 40 FHAB O=C1COc2ccc(Br)cc2CN1Cc1ccccc1F 65184431 QFFTZNYQMPMUJP-UHFFFAOYSA-N 350.187 3.509 0 40 FHAB COc1ccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 4384122 GTGSHJQEYVKZBW-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2C)C1 4385150 QZQYJJIVGSMFGO-CQSZACIVSA-N 372.852 3.957 0 40 FHAB CC[C@@H]1CCC2=NN(C(=O)c3ccc(C)cc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 6224393 XOWZPCKHKKQHBL-MRRJBJDNSA-N 354.372 3.884 0 40 FHAB Cn1ccnc1[C@H](NC(=O)c1ccccc1Br)c1ccccc1 9157072 XGYWIYRRUUJSGI-MRXNPFEDSA-N 370.250 3.702 0 40 FHAB CCc1ccccc1Nc1nc(N)nc(CSC[C@@H]2CCCCO2)n1 65576361 JYAJOEBMCFSQRA-AWEZNQCLSA-N 359.499 3.562 0 40 FHAB CC(C)(C)c1ccc2oc(NC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)nc2c1 72311645 MCRYYLJWQDHPFB-AWEZNQCLSA-N 369.465 3.712 0 40 FHAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccc[nH]1 4843557 BMJAOTSVXFKXBI-UHFFFAOYSA-N 350.403 3.830 0 40 FHAB C[C@@H](Nc1nc(-c2ccccc2)c2cc(Br)ccc2n1)C(=O)O 4939309 JTQBBQUIVUVZPJ-SNVBAGLBSA-N 372.222 3.944 0 40 FHAB Cc1cccn2c(=O)c3cc(C(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)sc3nc12 15441541 LCDBOTKYKDTHSM-NJZAAPMLSA-N 369.490 3.772 0 40 FHAB COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)cc(OC)c1OC 9378629 DDKPLJXWWMMGCF-UHFFFAOYSA-N 373.430 3.666 0 40 FHAB Cc1ccc([C@@H](CNC(=O)COc2ccc(F)cc2)N2CCC(C)CC2)o1 15860290 KJUNMPVWJXVQJR-LJQANCHMSA-N 374.456 3.695 0 40 FHAB Fc1ccc(CN2C[C@H]3Cc4cnc(NCc5ccccc5)nc4[C@H]3C2)cc1 306133501 MNHVZYJNBPGKFF-CTNGQTDRSA-N 374.463 4.000 0 40 FHAB COC(=O)c1ccc(COC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1 7984498 LEQGKLALPKWZAQ-UHFFFAOYSA-N 364.401 3.633 0 40 FHAB CC(=O)CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2s1 110094255 RYFHOJKBHWLFQB-STQMWFEESA-N 374.487 3.657 0 40 FHAB Cc1cccc(N2N=C([N+](=O)[O-])[C@H](c3ccco3)N[C@H]2c2ccco2)c1 19805170 IDBLEEIPVIDKIW-DLBZAZTESA-N 352.350 3.621 0 40 FHAB O=C(NCc1cccs1)c1cn(Cc2ccccc2)nc1-c1cccnc1 8427878 OOFGEXPCUQZUIA-UHFFFAOYSA-N 374.469 3.985 0 40 FHAB CC(C)[C@@H](NC(=O)/C=C/c1cccc(OCc2ccccc2)c1)C(=O)O 62714427 SUROAVLBEWIXAJ-YVNCXZRQSA-N 353.418 3.504 0 40 FHAB CCOc1ccc(CNS(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1 113955673 ORXCNIIPSMTUJL-UHFFFAOYSA-N 363.479 3.696 0 40 FHAB CN1C(=O)S/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)C1=O 409369353 BJKUAXQBPUEBRE-SGAXSIHGSA-N 356.186 3.766 0 40 FHAB COc1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Cl 409011048 FPWQSSBHCXLVDS-OQLLNIDSSA-N 360.772 3.581 0 40 FHAB CC(C)CCNC(=O)[C@H]1CCCN(c2ncnc3c2oc2ccccc23)C1 33290472 NAOQCXNHOMRJHH-HNNXBMFYSA-N 366.465 3.755 0 40 FHAB O=C(CN1CCC(Cn2cnc3ccccc32)CC1)c1ccc(F)c(F)c1 36708901 LTGAWWQODUWZHK-UHFFFAOYSA-N 369.415 3.909 0 40 FHAB O=C(N[C@H]1CCCc2c[nH]nc21)c1ccc(N2CCc3ccccc3C2)cc1 532273651 LDZDKTJGIPZSAU-NRFANRHFSA-N 372.472 3.780 0 40 FHAB O=C(NCCc1ccncc1)c1cc(-c2cccnc2)nc2ccccc12 79482762 KHIGUVIGKMKWMS-UHFFFAOYSA-N 354.413 3.664 0 40 FHAB COc1ccc(C(=O)NC(=S)Nc2cccc3cc(O)ccc23)cc1 33722516 XTINARLLCLUHON-UHFFFAOYSA-N 352.415 3.681 0 40 FHAB CCOc1cc(CN[C@H](C)CC)ccc1OCC(=O)NC1CCCCC1 36612910 XSBZHFNBRLKFKT-MRXNPFEDSA-N 362.514 3.801 0 40 FHAB O=C(c1cccnc1)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 72358698 LJGGNSPXMFQANX-QGZVFWFLSA-N 362.408 3.698 0 40 FHAB COc1cccc([C@@H]2C[C@H](O)CN2c2ncc(F)c(-c3ccsc3)n2)c1 561227357 MQRNITFVOVZWOY-YOEHRIQHSA-N 371.437 3.665 0 40 FHAB Cc1cccc(Nc2ccc(C3CCN(Cc4ccnn4C)CC3)nc2)n1 72374255 XVMUXSJOOBDHFY-UHFFFAOYSA-N 362.481 3.642 0 40 FHAB O=C(COc1ccccc1Cl)NCCCN1CCCc2ccccc21 218852487 PKUHDIMCJJDHMD-UHFFFAOYSA-N 358.869 3.678 0 40 FHAB Cc1sc2ncnc(NCc3ccc(Cn4cncn4)cc3)c2c1C 48234398 LVEBNDICWUGKFQ-UHFFFAOYSA-N 350.451 3.560 0 40 FHAB COc1ccc(CN(C)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1 40104174 NPJSOXZYFNFFQO-UHFFFAOYSA-N 350.321 3.681 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C 223004293 VUWXOVRSRUOGQU-OAQYLSRUSA-N 366.505 3.708 0 40 FHAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN(C)C)cc1 225699452 DSZWFNUMERBJQO-FQEVSTJZSA-N 350.503 3.941 0 40 FHAB CCC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)C 224819386 UFZBLJUFMCACIH-NRFANRHFSA-N 366.505 3.870 0 40 FHAB COc1cccc(O[C@@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)c1 224163820 FTHJCXJWRBJLGS-AWEZNQCLSA-N 363.841 3.620 0 40 FHAB Cc1c(Cl)cccc1S(=O)(=O)NCc1ccnc(-c2ccco2)c1 225658465 PPKHGIHYNCHSMW-UHFFFAOYSA-N 362.838 3.782 0 40 FHAB COc1ccc(CCNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 225112830 ZBRYCALMMIOGEA-MRXNPFEDSA-N 353.462 3.700 0 40 FHAB CC(=O)N1CCC(C(=O)N[C@H](Cc2ccccc2)CC2CCCCC2)CC1 584906632 AXOULIHRYNECPZ-JOCHJYFZSA-N 370.537 3.943 0 40 FHAB Cc1cccc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)n1 257221444 DPBPFTWWEBBHOE-GOSISDBHSA-N 361.445 3.989 0 40 FHAB Cc1ncsc1C(=O)N1CCCC[C@@H]1c1cn2cccc2c(N(C)C)n1 257256459 KLOWRWXCQQFUPP-OAHLLOKOSA-N 369.494 3.533 0 40 FHAB O=C(NCc1nn(C2CCCC2)c(=O)c2ccccc12)Nc1cccs1 90533564 MRWZPAZZQROEFW-UHFFFAOYSA-N 368.462 3.895 0 40 FHAB Cc1nc([C@H]2CCOC2)sc1C(=O)Nc1ccc2oc(C(=O)O)cc2c1 630169150 BLPBTLIPJMDCOQ-JTQLQIEISA-N 372.402 3.652 0 40 FHAB O=C(NCc1ccc(-c2ccccc2)cc1F)N1C[C@H]2CC[C@H]1[C@@H](CO)C2 661222764 AWNUORAQYVOOMC-DLVCFXQMSA-N 368.452 3.795 0 40 FHAB CCOc1ccc(S(N)(=O)=O)cc1-c1ccc(C)c(C(F)(F)F)c1 665221543 IFCSIHIOUHUUCJ-UHFFFAOYSA-N 359.369 3.727 0 40 FHAB Cc1cc(NC(=O)N2CCC[C@H]2c2c(C)cccc2C)c(N(C)C)nn1 667477281 ZPZASUFRIVBZHO-KRWDZBQOSA-N 353.470 3.837 0 40 FHAB CC1=CC(C)(C)N2C(=O)[C@](O)([C@H]3CCCCCC3=O)c3cc(F)cc1c32 1740816445 HGMPVNYXQMLSRV-BTYIYWSLSA-N 357.425 3.705 0 40 FHAB Oc1nc(/C=C/c2cn(C3CCC3)nn2)nc2ccc(Br)cc12 656613301 UAIWWXAEBAEQQS-FNORWQNLSA-N 372.226 3.585 0 40 FHAB C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1csnn1 585113697 QCQMSXNKAMCWLN-HNNXBMFYSA-N 371.384 3.674 0 40 FHAB Fc1cnc(OC2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc1 1204165265 YKJXUNWHCVJGGX-UHFFFAOYSA-N 355.335 3.678 0 40 FHAB CSc1cccc(NC(=O)c2cc3c(N4CCCC4)nc(C)cn3n2)c1 169768622 FNGHBWSUTADXPG-UHFFFAOYSA-N 367.478 3.612 0 40 FHAB CCc1cnc(CN(C)C(=O)c2cccc(OC[C@H]3CCCO3)c2)s1 81080769 FAWOSJCWTOOUIK-MRXNPFEDSA-N 360.479 3.536 0 40 FHAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)/C=C/c3ccccc3)C2)cc1C 1615076504 RVHUMJAYLVMPIV-JBOJMBJVSA-N 365.473 3.749 0 40 FHAB Sc1nnc(CCc2nc3ccccc3[nH]2)n1-c1cccc(Cl)c1 5448792 LPULRVQOGLFZSL-UHFFFAOYSA-N 355.854 3.871 0 40 FHAB CCc1c(C)sc2nc(C(C)C)n3c(=O)n(Cc4ccncc4)nc3c12 12117636 ARUUEMBUCFTNNY-UHFFFAOYSA-N 367.478 3.543 0 40 FHAB Cc1occc1-c1nc(NCCCc2ccccn2)ncc1-c1cnccn1 12222855 CJAQNGUZBDXWQV-UHFFFAOYSA-N 372.432 3.942 0 40 FHAB Cc1cnc2c(c1)cc(C1CCOCC1)n2CC(=O)N1CCCC[C@H]1C 12223090 XNJQTNFWWHCGEH-MRXNPFEDSA-N 355.482 3.640 0 40 FHAB CCOc1ccc(/C=C\C(=O)Nc2c(NC)c3ccccc3oc2=O)cc1 16691405 NEQZISSAXPXTIA-RAXLEYEMSA-N 364.401 3.885 0 40 FHAB CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)C(C)(C)C 19017428 ZKVKKLPUXWRUCY-ZCNNSNEGSA-N 356.510 3.818 0 40 FHAB COc1ccc(CNc2ccc([C@@H]3CCc4nncn4C3)cc2)c(OC)c1 19699133 WKYRFAPCTILUBF-QGZVFWFLSA-N 364.449 3.637 0 40 FHAB COc1cccc(C2=N/C(=C\c3cn(C(C)=O)c4ccccc34)C(=O)O2)c1 3208090 FAYFQKODOWFYNL-WQRHYEAKSA-N 360.369 3.655 0 40 FHAB COc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C(C)=O)cc2C)cc1 157644193 PLIAAXLTRBRMBV-UHFFFAOYSA-N 363.417 3.953 0 40 FHAB CCc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)O)c(Cl)c2)cc1 9140476 JOKXORDPQGTMME-UHFFFAOYSA-N 362.838 3.727 0 40 FHAB C[C@@H](Cc1cc2c(cc1O)OCO2)[C@H](C)Cc1cc2c(cc1O)OCO2 14437574 INGQRUQCHRFZGR-TXEJJXNPSA-N 358.390 3.613 0 40 FHAB biogenic,in-vitro Cc1nc(Cc2nnc(S[C@@H](C)C(=O)Nc3ccccc3)o2)cs1 5833422 ZRGYGENQXAPAIX-JTQLQIEISA-N 360.464 3.545 0 40 FHAB O=C(NCCCn1ccnc1)c1cc(-c2cccs2)nc2ccccc12 5942369 VIXZOJNCKBQMAW-UHFFFAOYSA-N 362.458 3.980 0 40 FHAB CCC[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 7265332 IWRBLUURIQRONT-OAHLLOKOSA-N 352.500 3.544 0 40 FHAB O=c1cccc2n1C[C@H]1C[C@H]2CN(Cc2csc(-c3ccccc3)n2)C1 1888910606 BAALZEHTMUPMMU-RDJZCZTQSA-N 363.486 3.591 0 40 FHAB CC(C)[C@H](O)[C@H](NC(=O)C[C@@H](O)c1ccc(Cl)cc1)c1ccccc1 1118793593 XZGPQWUFFVGQDT-RLLQIKCJSA-N 361.869 3.638 0 40 FHAB Cc1cc([C@H]2CN(C(=O)c3[nH]c4ccc(F)cc4c3C)CCO2)ccn1 1848352164 WTFHMQMXFHURAL-GOSISDBHSA-N 353.397 3.533 0 40 FHAB Cc1ccc2cc(CCNC(=O)c3c(F)cccc3Cl)c(=O)[nH]c2c1C 4032942 DZKUBKAAIYSENQ-UHFFFAOYSA-N 372.827 3.910 0 40 FHAB COc1ccc(C(=O)Nc2nnc(-c3cc(C)ccc3C)o2)cc1OC 5169651 NPQGASJNRFMTQR-UHFFFAOYSA-N 353.378 3.623 0 40 FHAB Cc1cc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccc(F)cc3s2)on1 12422330 NDMSVTUFNGNNCL-LBPRGKRZSA-N 361.398 3.558 0 40 FHAB COc1cc(C(=O)N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)cc(OC)c1OC 1775973237 CUIVWHRQIQQAJO-IRXDYDNUSA-N 357.450 3.816 0 40 FHAB O=C(COc1ccccc1F)N1CCC(COCc2ccccc2)CC1 49028711 ASTDQFATIRLXLF-UHFFFAOYSA-N 357.425 3.660 0 40 FHAB CCCOc1ccccc1NC(=O)[C@H]1CCCN(C(=O)N(CC)CC)C1 40129846 WFRNKJQFKWJMQW-INIZCTEOSA-N 361.486 3.588 0 40 FHAB CCN1CCN(Cc2ccc(NC(=O)CCc3ccccc3F)cc2)CC1 40107961 IEOCYHFCJFYZBR-UHFFFAOYSA-N 369.484 3.535 0 40 FHAB CCc1nnsc1C(=O)NCc1ccc(Oc2cc(C)ccc2C)nc1 40112451 IMQREVJKDJNZIP-UHFFFAOYSA-N 368.462 3.835 0 40 FHAB CCCN1CCc2c(sc3ncn4nc(-c5ccc(F)cc5)nc4c23)C1 20548262 KGQZFWGNEWGYAJ-UHFFFAOYSA-N 367.453 3.913 0 40 FHAB O=C(c1ccc(Oc2ccccc2)cc1)N1CCN(c2ccccn2)CC1 102175308 HLPDWYVDDLDUIP-UHFFFAOYSA-N 359.429 3.836 0 40 FHAB O=C(OCc1csc(Nc2ccccc2)n1)[C@@H]1COc2ccccc2O1 32940063 DXRSOILNMHIOGH-KRWDZBQOSA-N 368.414 3.770 0 40 FHAB O=C(Cc1cccc(F)c1)NCc1ccc(OCc2cccnc2)cc1 32930345 NYDKKCFFEFBGSC-UHFFFAOYSA-N 350.393 3.659 0 40 FHAB CC(C)(C)C(=O)NCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 8884482 MNRQKJJCCSJWOA-UHFFFAOYSA-N 351.859 3.564 0 40 FHAB CCCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccco1 1364364 UWXGKYZSSCOAKE-UHFFFAOYSA-N 372.450 3.688 0 40 FHAB O=C(c1ccc2ccccc2n1)N1CCc2c(cnn2-c2ccccc2)C1 77976406 PYNZVDNJSNZHDF-UHFFFAOYSA-N 354.413 3.619 0 40 FHAB CNC(=O)c1ccc(Cl)c(NCC(=O)N(c2ccccc2)C(C)C)c1 78470488 ZXYWKXMIQAOEGT-UHFFFAOYSA-N 359.857 3.553 0 40 FHAB COc1ccc2oc(C(=O)OCC(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)c(C)c2c1 4319214 BEFBYNRDFVVVTI-DCGLDWPTSA-N 373.449 3.848 0 40 FHAB CCc1ccc(-c2csc(NC(=O)c3ccc(C(=O)OC)cn3)n2)cc1 22961943 OOAZJLBUNIMJMU-UHFFFAOYSA-N 367.430 3.806 0 40 FHAB Cn1c(SCC(=O)c2ccc3c(c2)CCCC3)nnc1-c1ccco1 4923899 HCXQCAMRZAZQFH-UHFFFAOYSA-N 353.447 3.929 0 40 FHAB Cc1c(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)oc2ccccc12 6330805 IPYCGDPPOFFQTD-UHFFFAOYSA-N 365.357 3.990 0 40 FHAB CNC(=O)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 7597142 GXMUXPGGIVBIAX-UHFFFAOYSA-N 358.397 3.923 0 40 FHAB COc1ccc(OCCCC(=O)N[C@@H](C)c2cc(OC)ccc2OC)cc1 8356540 GPHFHRUUTGXGLH-HNNXBMFYSA-N 373.449 3.749 0 40 FHAB CN1C(=O)C(C)(C)COc2ccc(NC(=O)CCc3ccccc3)cc21 8959365 JPQKZMVLKMCDIQ-UHFFFAOYSA-N 352.434 3.639 0 40 FHAB CN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)Cc1ccc(Cl)s1 23731201 FAUHHNLPEVFUKF-UHFFFAOYSA-N 354.262 3.923 0 40 FHAB C[C@@H]1CCCCN1C(=O)c1nnc2sc(-c3ccc(Cl)cc3)nn12 57354614 NEWBIRBULBNJFE-SNVBAGLBSA-N 361.858 3.521 0 40 FHAB Cn1ncc2c1CCC[C@@H]2NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1 24994935 TZADUTJOYQWKGJ-FVNWOWOISA-N 366.852 3.829 0 40 FHAB Cc1ccccc1-c1nnn(Cc2nc(-c3ccc(C(C)C)cc3)no2)n1 25251602 YOKGLBSLQHIYNV-UHFFFAOYSA-N 360.421 3.870 0 40 FHAB CCOc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccco2)n1 9659401 CEBQCVXSCZDZJD-UHFFFAOYSA-N 371.418 3.568 0 40 FHAB O=C(Nc1cccc(C(=O)N2CCC[C@H]2C2CCCC2)c1)[C@@H]1CCCO1 56034708 JWYPWUBVWOYXIP-OALUTQOASA-N 356.466 3.599 0 40 FHAB Cc1ccc(/C=C/C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c(C)c1 9893400 NCVXRZYMXXOSCJ-DHZHZOJOSA-N 359.433 3.944 0 40 FHAB O=C(Cn1c(-c2cscn2)nc2ccccc21)NCCc1cccs1 12556549 YVCTUNZTKCPTBT-UHFFFAOYSA-N 368.487 3.580 0 40 FHAB COc1ccc(NC(=O)c2ccc(O[C@@H](C)C(=O)OCC(C)C)cc2)cc1 1939030 BPZDBCHCHRLNIO-HNNXBMFYSA-N 371.433 3.914 0 40 FHAB CC(=O)N(c1ccccc1)c1nc([C@@H]2NC(=O)c3ccccc3N2)cs1 28922837 QZOPXIDWDGPLTQ-KRWDZBQOSA-N 364.430 3.682 0 40 FHAB O=C(COC(=O)c1cc(Cl)cc(Cl)c1)NCCCc1ccccc1 3220051 LLLKVRWAKOHLTO-UHFFFAOYSA-N 366.244 3.899 0 40 FHAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1(C)C 58087744 XFCDZKUKLIRXHI-UONOGXRCSA-N 357.422 3.860 0 40 FHAB Cc1noc(C)c1COc1cccc(C(=O)NCCN(C(C)C)C(C)C)c1 27456574 NHNMAAPMDDASJD-UHFFFAOYSA-N 373.497 3.719 0 40 FHAB CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1C(C)C 20802582 OPHZQQOHWKMYQS-ROUUACIJSA-N 371.481 3.805 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)NCc2nc(C)cs2)c(Br)c1 45040339 CJSKALSBLRWVMU-LLVKDONJSA-N 369.284 3.606 0 40 FHAB COc1ccc(NC(C)=O)cc1NCC(=O)Nc1ccc(C)cc1Cl 3307748 XUYMFZZJCUBLAO-UHFFFAOYSA-N 361.829 3.666 0 40 FHAB O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1cccnc1Cl 36366794 FNTLJLNQTRMMEK-UHFFFAOYSA-N 366.764 3.896 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)cc1 10315208 VDWQSSQSHASVQV-UHFFFAOYSA-N 372.490 3.777 0 40 FHAB CC[C@H](C)c1ccc(NC(=O)[C@@H](C)Oc2cccc(-n3cnnn3)c2)cc1 12735750 GNBANRAKKQAACI-LSDHHAIUSA-N 365.437 3.582 0 40 FHAB Cc1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1NS(C)(=O)=O 29107359 NNHJDXHJIAPFAY-IBGZPJMESA-N 374.506 3.884 0 40 FHAB CSc1ncc(Cl)c(C(=O)O[C@@H](C)C(=O)c2ccc(C)cc2)n1 11572769 UPDIBURPJUFKHU-JTQLQIEISA-N 350.827 3.589 0 40 FHAB COC(=O)c1cc(NCC(=O)N2c3ccccc3CC[C@@H]2C)c(F)cc1F 48354275 NZCQASNKLNCERN-LBPRGKRZSA-N 374.387 3.531 0 40 FHAB COc1cc(SC)ccc1C(=O)OCC(=O)NCCC1=CCCCC1 3467565 CWNIBQIYTJGLSV-UHFFFAOYSA-N 363.479 3.581 0 40 FHAB CS(=O)(=O)/N=C(\O)c1sc(-c2ccccc2)nc1-c1ccccc1 48480268 JUKJNQDASSLJSV-UHFFFAOYSA-N 358.444 3.741 0 40 FHAB COc1ccc(C)cc1[C@H](C)NC(=O)CCNC(=O)c1ccccc1Cl 12972093 DICHKTAKCKWPOT-AWEZNQCLSA-N 374.868 3.654 0 40 FHAB Cc1ccc(C(=O)CSc2nnnn2CCc2cccs2)c(C)c1 9076931 YLOLFHMSECYBTA-UHFFFAOYSA-N 358.492 3.569 0 40 FHAB COc1cccc2ccn(CCC(=O)NCCc3c[nH]c4ccccc34)c12 49543548 PUFJJJDOYRPJEM-UHFFFAOYSA-N 361.445 3.880 0 40 FHAB biogenic CC(C)Cc1cc(-c2nnc3sc(/C=C/c4ccccc4)nn23)n[nH]1 13719193 ZUQLQNHHKDZRKP-CMDGGOBGSA-N 350.451 3.945 0 40 FHAB Cc1cccc(-c2nnc([C@H](C)Sc3nc4nc(C)cc(C)n4n3)o2)c1 14119705 YGRCMPMLMYQDBY-ZDUSSCGKSA-N 366.450 3.953 0 40 FHAB COc1cc(C(=O)N(C)Cc2nc3ccccc3s2)cc(OC)c1OC 14182880 WSFXQIDUIHQCQS-UHFFFAOYSA-N 372.446 3.594 0 40 FHAB COc1ccc2c(C)c(CC(=O)Nc3ccccc3F)c(=O)oc2c1C 9348802 NGJZKIPMRFCESO-UHFFFAOYSA-N 355.365 3.739 0 40 FHAB CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2ncnc3ccccc23)cc1 6608051 IREAJTVLQKFDGH-LBPRGKRZSA-N 351.431 3.952 0 40 FHAB COc1cc(NC(=O)CNc2ccccc2N2CCCCC2)cc(OC)c1 9379365 DFRZOQKCMYWTHR-UHFFFAOYSA-N 369.465 3.745 0 40 FHAB C[C@H](Cn1cc(Cl)cn1)C(=O)NCc1csc(-c2ccccc2)n1 28242342 GQERNRIVDMQVLR-GFCCVEGCSA-N 360.870 3.613 0 40 FHAB Cc1nc(NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)sc1C 14900097 GEYCDKJPNDZJIS-UHFFFAOYSA-N 367.434 3.862 0 40 FHAB C[C@@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@]4(C)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118914963 UUNZVNLAFCAUHR-ICNCWHOQSA-N 350.543 3.892 0 40 FHAB Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(N2CCCC2=O)c1 6987632 ZVXYTLLHCAUDFT-UHFFFAOYSA-N 358.825 3.793 0 40 FHAB CCOc1ccc(OCCn2c(C)nc3cc4c(cc32)OCCO4)cc1 6910665 PDGMPWQXLOEWRY-UHFFFAOYSA-N 354.406 3.594 0 40 FHAB O=C(Nc1nc2ccc(NC(=O)C(F)(F)F)cc2s1)c1ccco1 9418996 FPZZHWAKZIIBGP-UHFFFAOYSA-N 355.297 3.642 0 40 FHAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1c(Cl)cccc1Cl 7046720 DKJAQIDJAIRFKO-UHFFFAOYSA-N 369.248 3.641 0 40 FHAB CC[C@@H]1CCCCN1C(=O)CSc1nnc(NCc2ccco2)s1 7161589 KJTGAVUJAYFWCV-GFCCVEGCSA-N 366.512 3.626 0 40 FHAB Cc1cccn2c(=O)cc(CSc3nnc(C4CCCCC4)o3)nc12 7215644 CHOHXLHSCOYKGJ-UHFFFAOYSA-N 356.451 3.726 0 40 FHAB O=C(CN1CCC[C@@H]1c1cccs1)NCCc1c[nH]c2ccccc12 7443323 DQMHPUYEBJPPDQ-GOSISDBHSA-N 353.491 3.725 0 40 FHAB CCn1c(SCC(=O)N(C)[C@@H]2CCCc3ccccc32)nnc1C1CC1 7618697 FNVNLPQQBGUOTM-QGZVFWFLSA-N 370.522 3.804 0 40 FHAB O=C(CCc1ccsc1)Nc1ccc(I)cc1 16048290 COCASUHFLSYQEU-UHFFFAOYSA-N 357.216 3.924 0 40 FHAB CN(CCCNC(=O)c1ccc(Br)cc1)Cc1ccccc1 7923410 WWEAHUHMEHELLH-UHFFFAOYSA-N 361.283 3.701 0 40 FHAB CCOc1ccccc1NC(=O)C1(c2ccc(OC)cc2)CCOCC1 16985420 AKLPVWZBBSEJCI-UHFFFAOYSA-N 355.434 3.781 0 40 FHAB O=c1c2ccc(F)cc2ncn1CCOc1ccc(Cl)cc1Cl 8485682 WBTYLKZWTFLAQT-UHFFFAOYSA-N 353.180 3.921 0 40 FHAB O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)N[C@@H]1CCCCC[C@@H]1CO 84335108 QSSUSIPINAEHPN-CXAGYDPISA-N 367.440 3.628 0 40 FHAB CC(C)Cn1ccc2cc(NC(=O)c3ccc(N4CCCC4)nn3)ccc21 95348917 GLPXOQZFMBWWCS-UHFFFAOYSA-N 363.465 3.940 0 40 FHAB O=C(Nc1ccn(Cc2ccccn2)n1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 84610180 GSBPHTVINRSSQR-CHWSQXEVSA-N 352.360 3.634 0 40 FHAB Cc1cccc2nc(CNc3ccc(C(=O)N4CCC[C@H](C)C4)cn3)cn12 95958833 XJXMIRVOFRQWOF-HNNXBMFYSA-N 363.465 3.522 0 40 FHAB Cc1cc(C(=O)CCC(=O)Nc2ccc(N3CCOCC3)cc2)c(C)s1 9912500 XFQJSJRTWQOEAH-UHFFFAOYSA-N 372.490 3.803 0 40 FHAB C[C@@H](CC[S@](C)=O)NCc1cc(Cl)ccc1OCc1cccnc1 75110414 FLIAMOHAZDJUPX-LFPIHBKWSA-N 366.914 3.561 0 40 FHAB Cc1ccc(CN2CCC(n3cnc4ncc(-c5ccncc5)nc43)CC2)o1 306139665 TWXQIQYAEAJDOS-UHFFFAOYSA-N 374.448 3.627 0 40 FHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 22521478 VSDICTIBFXTJTM-LZJOCLMNSA-N 360.542 3.945 0 40 FHAB Cc1ccc2nc([C@H]3CCCN3C(=O)Cc3ccc4c(c3)CCO4)[nH]c2c1 61231089 ZEVKVKZEJJUPFJ-LJQANCHMSA-N 361.445 3.712 0 40 FHAB O=C1N/C(=C/C=C/c2ccco2)C(=O)N1Cc1ccc(Br)cc1 408928712 DTZGHGOUVALYPH-FFBKCXOWSA-N 373.206 3.691 0 40 FHAB CN1CCCN(C(=O)c2csc(-c3ccccn3)n2)c2cc(F)ccc21 122822943 SZEFNJRXKVVCQT-UHFFFAOYSA-N 368.437 3.831 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1C(=O)N1CCCC1 408598398 ZULDNVFAHZMVMZ-UHFFFAOYSA-N 372.490 3.649 0 40 FHAB CSCC[C@H](NC(=O)CCCn1cccc1)c1nc2ccccc2[nH]1 524735758 XAJLSZJAXPGJCY-KRWDZBQOSA-N 356.495 3.755 0 40 FHAB Cc1cccc(Cn2nc(C)c(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)c2C)c1 32610093 IPEWDSDCMXYPAP-ZWKOTPCHSA-N 369.465 3.686 0 40 FHAB CCc1nccn1-c1cncc([C@H]2CCCN(Cc3ccc(F)cc3)C2)n1 72355446 CETDDNMVAWAZNZ-KRWDZBQOSA-N 365.456 3.743 0 40 FHAB Cc1cc(CN2CCC(c3cc(O)nc(-c4ccccn4)n3)CC2)oc1C 72392861 JSTMEBUKJZLUFG-UHFFFAOYSA-N 364.449 3.834 0 40 FHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)NC1CCC(C(F)(F)F)CC1 31107338 MECOMSPEYOVCLC-UHFFFAOYSA-N 372.387 3.720 0 40 FHAB Cc1ccccc1Oc1cncc([C@H]2CCCN(C(=O)c3ccno3)C2)n1 72362576 WRQWIZBONLAQFF-HNNXBMFYSA-N 364.405 3.585 0 40 FHAB Cc1cccc(CS(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)c1 186626299 YLFKYEGTECHUNY-UHFFFAOYSA-N 352.459 3.923 0 40 FHAB CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)C2CCCC2)nc1C 72345519 CCOZRJJGNXZBJW-SFHVURJKSA-N 372.513 3.511 0 40 FHAB CSc1nc(Cl)cc(O[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 72203146 PDCSCVFCDBYSHG-JTQLQIEISA-N 359.879 3.630 0 40 FHAB COc1ccc(NC(=O)[C@@H]2CCCN2Cc2cccc3cccnc23)cc1 48367708 KFDYCKSCDKCAAP-FQEVSTJZSA-N 361.445 3.847 0 40 FHAB CCN(c1ccccc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1 224795320 CJIDJOGSRADYRU-UHFFFAOYSA-N 355.843 3.572 0 40 FHAB C[C@H]1[C@H](C(=O)O)CCN1Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 565109252 DKDGEKWUUUDSNV-IINYFYTJSA-N 354.328 3.655 0 40 FHAB COc1ccc(S(=O)(=O)N2CCC(C)(C)c3ccccc32)cc1OC 222280412 BPWFETQGVHUFDQ-UHFFFAOYSA-N 361.463 3.580 0 40 FHAB CCC[C@@H](C)NC(=O)CCc1nc(-c2ccc(Br)cc2)no1 225820719 BFIHZUGFWHLKAA-LLVKDONJSA-N 366.259 3.737 0 40 FHAB O=C(COc1cccc(Cl)c1)NCC1(c2ccccc2)CCOCC1 41946919 YZPFDKHAGHNIIF-UHFFFAOYSA-N 359.853 3.583 0 40 FHAB O=C(Nc1cnc2cc(C(F)(F)F)nn2c1)c1nc2ccccc2s1 225571948 YDJPSWCEPPKJDJ-UHFFFAOYSA-N 363.324 3.610 0 40 FHAB CSc1nnc(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)s1 224880552 ZPVUCCLWPMOPDX-UHFFFAOYSA-N 370.308 3.509 0 40 FHAB CCO[C@](C)(CC)C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1 225650388 BFBBFILPLDMGKM-DYESRHJHSA-N 362.514 3.941 0 40 FHAB Fc1cc(Cl)ccc1-c1nnc(N2CCCC2)n1C[C@@H]1CCCO1 582738438 DPGOOSMAANPPJP-ZDUSSCGKSA-N 350.825 3.517 0 40 FHAB CCOc1ccc(/C=C2/N=C(c3ccc(F)cc3F)OC2=O)cc1OC 97998193 BIQUKFAXJLBFAS-OVCLIPMQSA-N 359.328 3.717 0 40 FHAB COC[C@H]1CN(Cc2ccco2)CC12CCN(Cc1ccc(F)cc1)CC2 247879629 PRUAQKGROQNVMU-LJQANCHMSA-N 372.484 3.779 0 40 FHAB CC(C)CC(=O)N1CCC(c2n[nH]cc2C(=O)N2[C@H](C)CCC[C@H]2C)CC1 257292651 QMLDYEFNCJHYKI-HZPDHXFCSA-N 374.529 3.565 0 40 FHAB Fc1cccc(CN2CCCC[C@H]2c2nnc(-c3cnccn3)o2)c1F 257338477 YXPBVGKHRQWVEX-HNNXBMFYSA-N 357.364 3.532 0 40 FHAB Cc1csc(C2(NC(=O)c3cc4ccccc4c(=O)o3)CCCC2)n1 683377718 LSCNMKUVFZXLFO-UHFFFAOYSA-N 354.431 3.757 0 40 FHAB C=CC(=O)Nc1ccc(C(=O)N2CCCCC[C@H]2c2cccn2C)cc1 1624912186 GEMSWVPSAQKZJC-IBGZPJMESA-N 351.450 3.907 0 40 FHAB C[C@@H](CC(=O)O)CC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 630298283 DEQSRXUVRVQKBW-YGRLFVJLSA-N 372.234 3.753 0 40 FHAB CCN(C)C(=O)c1cccc(NC(=O)N2CCC([C@H]3CCCCO3)CC2)c1 667093892 GBPXMKQSIJLVOE-LJQANCHMSA-N 373.497 3.592 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(Br)c2)cc1 20029851 RUKNEMYBQMDVIE-LBPRGKRZSA-N 354.269 3.797 0 40 FHAB Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1[C@H](O)CC(C)(C)C2 5321372 BDVJQHUJROJNKS-CQSZACIVSA-N 362.514 3.633 0 40 FHAB O=C(N[C@@H]1C=Nc2ccc(Cl)cc2NC1=O)c1ccc2ccccc2c1 5664440 YSUMQBGUQMWOAA-GOSISDBHSA-N 363.804 3.946 0 40 FHAB CCC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc2nccnc2c1 11692666 RIVASVMGETXSCE-HXUWFJFHSA-N 360.417 3.726 0 40 FHAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccco4)[C@@H]3C2=O)c1 12017429 UUGGYUOCROHAJQ-UFYCRDLUSA-N 374.396 3.639 0 40 FHAB CCOc1cc(CCC(=O)N2CCc3c([nH]c4ccc(Cl)cc34)C2)on1 12275622 SHSBDKXXYOPWEZ-UHFFFAOYSA-N 373.840 3.726 0 40 FHAB CC(C)c1ccc(C(=O)NC(=S)Nc2ccc3c(c2)OCCO3)cc1 14257783 FXGPNNACLDZNHE-UHFFFAOYSA-N 356.447 3.708 0 40 FHAB COc1ccc(/C=C/C(=O)NCCSc2ccc(C)cc2)cc1OC 14803327 JIKXJIVQRKVBKD-YRNVUSSQSA-N 357.475 3.934 0 40 FHAB Cc1nc(N(C)C)ncc1C(=O)N[C@@H](C)c1cc2cc(Cl)ccc2o1 19552742 ZQQOBLHILHSNDC-NSHDSACASA-N 358.829 3.742 0 40 FHAB COc1ccc(CCNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1OC 19933823 QKWNHBUAHSXNHY-INIZCTEOSA-N 371.477 3.953 0 40 FHAB COc1cccc(NC(=O)COC(=O)c2cc3ccccc3cc2OC)c1 4836209 BEMZUMGZLPQCIR-UHFFFAOYSA-N 365.385 3.653 0 40 FHAB CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2cccc(OC)c2)C1=O 5305634 IQQTVJATXDVYAQ-NRFANRHFSA-N 370.424 3.972 0 40 FHAB Brc1ccc(CN2CC[C@@H]3CN(c4ccccn4)C[C@H]32)s1 1888847522 PMLQVHFIOIIHHJ-TZMCWYRMSA-N 364.312 3.616 0 40 FHAB Clc1ccc2nc(N3CC(Cn4cc(Br)cn4)C3)oc2c1 1889186656 WWQMACDQNNOLOY-UHFFFAOYSA-N 367.634 3.577 0 40 FHAB CC(=O)Nc1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)s1 14529773 UOZKCXZYGHOONK-GOSISDBHSA-N 374.462 3.605 0 40 FHAB O=C(c1ccccc1Cl)N1CCC[C@](O)(COc2ccccc2)CC1 2037909315 RGAHIOLKDLACIL-HXUWFJFHSA-N 359.853 3.776 0 40 FHAB CCOc1ccc(S(=O)(=O)NCC(C)(C)c2ccsc2)cc1C 1565519225 FJLWOTZIYIKPTP-UHFFFAOYSA-N 353.509 3.711 0 40 FHAB COC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCN(C(C)C)C2 4086942 SOKQACNZSVIQIM-UHFFFAOYSA-N 364.511 3.820 0 40 FHAB Cc1csc2ncc(C(=O)Nc3ccc(Cl)c(Cl)c3)c(=O)n12 4121167 GHCZKBGGPWSLJB-UHFFFAOYSA-N 354.218 3.624 0 40 FHAB O=C(Cc1ccccc1)NCCSc1ncc(-c2ccc(F)cc2)[nH]1 4315711 PRLJRLDXQJYWNG-UHFFFAOYSA-N 355.438 3.667 0 40 FHAB CNC(=O)c1c(NC(=O)c2ccc3ncsc3c2)sc2c1CCCC2 4326446 DUPWPQZWBMYPLS-UHFFFAOYSA-N 371.487 3.849 0 40 FHAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc3c(C)ccc(C)c3s2)cc1 4585916 LDOBNAAZUXPDGQ-UHFFFAOYSA-N 374.487 3.959 0 40 FHAB O=S(=O)(c1ccccc1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 12361364 LUVYVEXUWPCPQU-IBGZPJMESA-N 372.877 3.935 0 40 FHAB COc1ccc(C(=O)CSc2nccn(-c3ccc(C)cc3)c2=O)cc1 12415263 FFYCSECGUBEXPN-UHFFFAOYSA-N 366.442 3.525 0 40 FHAB C[C@@H](NC(=O)C(=O)NCc1ccc(-c2cccs2)o1)c1ccccc1 575608995 MWEAWRGSTFKRDK-CYBMUJFWSA-N 354.431 3.502 0 40 FHAB O=C(Nc1c(F)cccc1F)N1CC[C@H](Oc2cnc3ccccc3n2)C1 618254938 HYFMCIOCULEIFM-LBPRGKRZSA-N 370.359 3.593 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cnn(Cc2ccccc2)c1 40017190 YODZXDYRCPIUHY-UHFFFAOYSA-N 371.444 3.986 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc2nc(C)c(C)c(C)n2n1 40119214 XCPNAIJTVQNDQQ-HNNXBMFYSA-N 369.494 3.786 0 40 FHAB O=C(CCc1ccccc1F)Nc1cccc(OCCn2cccn2)c1 40135162 GWIXWDITSWIFET-UHFFFAOYSA-N 353.397 3.673 0 40 FHAB CC(C)C(=O)Nc1ccc(NC(=O)N(C)CCOc2ccccc2F)cc1 40104007 GDMPMIQQDWSLRF-UHFFFAOYSA-N 373.428 3.963 0 40 FHAB CC[C@@H](C)N(Cc1ccccc1)C(=O)CCn1cnc2ccccc2c1=O 32492934 PJEXOXGXONWJEM-QGZVFWFLSA-N 363.461 3.614 0 40 FHAB CSc1ncccc1C(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C 32721544 YRVMFPKYLIZWTO-UHFFFAOYSA-N 366.490 3.878 0 40 FHAB COC(=O)c1cccc(C(=O)n2ccc(C)c/c2=N\C2CCCCC2)c1 102601839 BVEWQXSTSIGBPQ-ZBJSNUHESA-N 352.434 3.505 0 40 FHAB Cc1ccc2nc(CSCc3nc4ccccc4nc3C)cc(=O)n2c1 33047562 ZNBWXLWSZVKEBN-UHFFFAOYSA-N 362.458 3.688 0 40 FHAB O=C(Nc1ncc(Cc2ccccc2)s1)[C@H]1COc2ccccc2O1 818326 MPIHDUJEZFCBAB-QGZVFWFLSA-N 352.415 3.512 0 40 FHAB Cc1ccc(CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)cc1 2726340 ZQXRQOADFBWIKB-SFHVURJKSA-N 373.250 3.725 0 40 FHAB CCCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccco1 1364341 IHNGIDUTLRKHDL-UHFFFAOYSA-N 356.451 3.987 0 40 FHAB O[C@](c1ccccc1)(C(F)(F)F)[C@@](O)(c1ccccc1)C(F)(F)F 1559251 AJBYSHYIHCXTJQ-KBPBESRZSA-N 350.258 3.887 0 40 FHAB O=C1c2ccccc2-c2ccccc2N(C(=O)C(Cl)(Cl)Cl)[C@H]1O 1723100 UGPVDIXBJGOXGM-AWEZNQCLSA-N 370.619 3.572 0 40 FHAB Cc1ccc(N2N=C([N+](=O)[O-])[C@H](c3ccco3)N[C@H]2c2ccco2)cc1 21947024 MDKVOPKYHWFPMG-DLBZAZTESA-N 352.350 3.621 0 40 FHAB CC1CCN(C(=O)c2ccccc2NC(=O)[C@H]2Cc3ccccc3O2)CC1 79214854 HXJSWABFQKSKRS-HXUWFJFHSA-N 364.445 3.501 0 40 FHAB Cc1nc(SCC(=O)Nc2nnc(C)s2)c2c(C)c(C)sc2n1 4217457 KINPGBVXTQPIAH-UHFFFAOYSA-N 365.509 3.507 0 40 FHAB COc1ccccc1[C@@H](NC(=O)c1cc(C)c(C)s1)c1nccn1C 53342278 WGWATXCFVKNUOM-QGZVFWFLSA-N 355.463 3.626 0 40 FHAB Cc1ccc(C)c(OCC(=O)NCc2ccc(CN3CCCC3)cc2)c1 7923763 MIFXNYFTANQENM-UHFFFAOYSA-N 352.478 3.594 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)cc1C 8600894 QZMDCYRQZQVZPY-UHFFFAOYSA-N 373.478 3.732 0 40 FHAB CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)nn12 57316914 IFDYCHQRGMGIAQ-UHFFFAOYSA-N 367.409 3.807 0 40 FHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 1152281 ZBIWNXHXEOBENC-GZTJUZNOSA-N 353.399 3.614 0 40 FHAB O=C(Nc1nncs1)c1cn(-c2ccccc2)nc1-c1cccs1 3170698 MPICOJKWVUNBBM-UHFFFAOYSA-N 353.432 3.705 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)CSCc1nc(-c2ccccc2)no1 24843747 FSIDRSOINFPMJX-CQSZACIVSA-N 365.458 3.948 0 40 FHAB COc1ccccc1-c1cc(CN2CCN(c3ccccc3F)CC2)on1 12597929 QAKUCELIEXZKOF-UHFFFAOYSA-N 367.424 3.812 0 40 FHAB CC(C)N(Cc1ccccn1)C(=O)CCc1nnc(-c2ccsc2)o1 55738787 IKCWURNVGSYMAO-UHFFFAOYSA-N 356.451 3.563 0 40 FHAB COc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)ccc1O 106755125 CZXRZUIUGHPHCC-ATVHPVEESA-N 371.414 3.516 0 40 FHAB O=C(Nc1nc2c(s1)CCC2)c1ccc(COCC(F)(F)F)cc1 25769256 FEDHWMRWMHCJNW-UHFFFAOYSA-N 356.369 3.963 0 40 FHAB O=C(Nc1ccccc1)[C@H](NC[C@H]1COc2ccccc2O1)c1ccccc1 57352282 SDPRPTRHGZCLGG-SIKLNZKXSA-N 374.440 3.796 0 40 FHAB N#Cc1cn(CC(=O)NCc2ccccc2Br)c2ccccc12 51319135 NAHDYVVMVFJPBM-UHFFFAOYSA-N 368.234 3.592 0 40 FHAB Cc1cccc(CNC(=O)[C@@H](NC(=O)c2cccs2)c2ccccc2)c1 26886599 BIWCSVSKURJLOK-IBGZPJMESA-N 364.470 3.844 0 40 FHAB Cc1noc([C@H]2CCCN(C(=O)NCc3cccc(OCC(C)C)c3)C2)n1 58238444 AZAOWRWUAMSXBF-KRWDZBQOSA-N 372.469 3.502 0 40 FHAB Oc1ccccc1NC[C@@H](O)COc1ccc(OCc2ccccc2)cc1 28120581 FZUUOFGJBPGXNS-GOSISDBHSA-N 365.429 3.823 0 40 FHAB COc1ccc(-c2nn3c(CCc4ccccc4)nnc3s2)cc1OC 44932751 VNFVDGKFHFLUAJ-UHFFFAOYSA-N 366.446 3.655 0 40 FHAB COc1ccc(-c2nn3c(-c4cccc(F)c4)nnc3s2)c(OC)c1 10311580 CBEKSMXQNDSRAD-UHFFFAOYSA-N 356.382 3.676 0 40 FHAB COc1cc(Cn2cnc3c([nH]c4ccc(Cl)cc43)c2=O)cc(OC)c1 2292764 QDMGAYURFBGXBU-UHFFFAOYSA-N 369.808 3.597 0 40 FHAB COC(=O)C1=C(CCl)N(c2ccc(C)cc2)C(=O)N[C@H]1c1ccccc1 24926879 NZUWVNWDTBAPSU-SFHVURJKSA-N 370.836 3.932 0 40 FHAB C[C@H](Sc1nncn1C1CC1)C(=O)Nc1ccc(C(F)(F)F)cc1 10648731 WNSOYFFZPIWUKE-VIFPVBQESA-N 356.373 3.751 0 40 FHAB C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)S(=O)(=O)Cc1cccc2ccccc12 58604546 PTZARGUZLZXXRK-GQIGUUNPSA-N 373.518 3.838 0 40 FHAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccco3)[C@@](O)(C(F)(F)F)[C@H]2C1 409103724 FHVWHXDBIXWBFF-GDLVEWKHSA-N 358.360 3.805 0 40 FHAB Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)n1 12771806 WVKOGZFEIKUXGH-UHFFFAOYSA-N 361.854 3.943 0 40 FHAB CC1(C)CN=C(SCC(=O)N[C@H](c2ccccc2)c2cccs2)NC1 12766258 JXCSRKIDLLDPQP-QGZVFWFLSA-N 373.547 3.672 0 40 FHAB C/C=C/c1cc(C(=O)N(C)Cc2ccc3c(c2)OCO3)cc(OC)c1OC 12810631 ZIXNXTLGYXOSDE-AATRIKPKSA-N 369.417 3.738 0 40 FHAB C[C@H](OC(=O)c1cc2c(s1)CCCC2)C(=O)Nc1ccc2c(c1)OCO2 3498807 BOGOCGFNQCHNGW-NSHDSACASA-N 373.430 3.540 0 40 FHAB C[C@@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccc(F)cc1F 29765171 DACTYYRLSCZLOW-CYBMUJFWSA-N 358.388 3.578 0 40 FHAB CCOc1ccc(-c2noc(CSc3nnc(-c4ccc[nH]4)o3)n2)cc1 12945017 GJLKQHBVIXGNOU-UHFFFAOYSA-N 369.406 3.806 0 40 FHAB O=C(COc1cc(Cl)ccc1Cl)N1CCO[C@H](c2ccccc2)C1 13011643 BRLNTMRIEFVGHF-KRWDZBQOSA-N 366.244 3.972 0 40 FHAB CCCCn1c(N)c(C(=O)NCCC(C)C)c2nc3ccccc3nc21 5025991 WQKPUXHALWXRRJ-UHFFFAOYSA-N 353.470 3.743 0 40 FHAB Cc1csc2nc(COC(=O)c3cc4ccccc4s3)cc(=O)n12 6113399 QXOUXRGDLWQNFN-UHFFFAOYSA-N 356.428 3.636 0 40 FHAB Cc1nnc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCCC3)s1 14051210 ULHFTTQPJGYBJG-UHFFFAOYSA-N 371.441 3.693 0 40 FHAB O=C(CCc1nc2ccccc2s1)N[C@H]1CCN(Cc2ccccc2)C1 14085472 RYCAPUIZQNMDFN-KRWDZBQOSA-N 365.502 3.620 0 40 FHAB C[C@@H]1CCCCN1CCCNC(=O)Cc1csc(-c2ccccc2)n1 14226236 ZMUXQFHYJODAIZ-MRXNPFEDSA-N 357.523 3.733 0 40 FHAB CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(OC)cc2)cc1 6630601 IZZSLWAWQZCNKA-CYBMUJFWSA-N 358.463 3.920 0 40 FHAB COc1ccc(OC)c(NC(=O)c2nc(SC(C)C)ncc2Cl)c1 6748065 HJRHBBDNNDHQGL-UHFFFAOYSA-N 367.858 3.900 0 40 FHAB CCOC(=O)c1[nH]c2ccccc2c1NC(=S)NCc1ccccc1 4889322 NXMUYPIPQXAWDW-UHFFFAOYSA-N 353.447 3.831 0 40 FHAB Cc1ccc(CN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1 6922833 FKTLHRBOCQLFNQ-RQZCQDPDSA-N 353.399 3.960 0 40 FHAB Cc1ccccc1-c1nnn(Cc2cc(Cl)c3c(c2)OCCCO3)n1 7586774 SRVCFQFGCHNRCB-UHFFFAOYSA-N 356.813 3.512 0 40 FHAB CCCC(=O)Nc1ccc2c(c1)C(=O)C[C@H](c1ccc3c(c1)OCO3)O2 7636257 ABQDZWQSMJGOCE-GOSISDBHSA-N 353.374 3.860 0 40 FHAB COc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c2ccccc12 16677369 PQDZXPPCBDPISJ-AWEZNQCLSA-N 353.443 3.988 0 40 FHAB Cc1cc(C(=O)Nc2ccccc2C(=O)O)ccc1NC(=O)c1ccco1 8190336 QOFOSUNENKEDOT-UHFFFAOYSA-N 364.357 3.791 0 40 FHAB CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)N(C)C1=S 409031648 HXFGWFMREAGKEE-AQTBWJFISA-N 352.459 3.685 0 40 FHAB O=C(O)c1ccc(-c2cc(O)c(-c3ccc(C(=O)O)cc3)cc2O)cc1 642881183 GFNWNPNNRFSOOV-UHFFFAOYSA-N 350.326 3.828 0 40 FHAB COCc1cccc(OCC2(Cn3ccc4occc4c3=O)CCC2)c1 95459413 DJOYFYVDXXUGHB-UHFFFAOYSA-N 353.418 3.990 0 40 FHAB C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccn(C)c1 75093853 LVSMFHBIHNUCMZ-LBPRGKRZSA-N 359.376 3.768 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCSCc1ccccc1 20049584 FVDMIMMMUVKJEC-LJQANCHMSA-N 359.491 3.902 0 40 FHAB C[C@H]1C[C@@H](C)CN(C(=O)c2cc3cc(Br)ccc3oc2=O)C1 36627543 KULZUIWSGLNPRT-PHIMTYICSA-N 364.239 3.674 0 40 FHAB COc1ccc([C@@H](C)NC(=O)CSc2ccc(OC)c(OC)c2)cc1 20459928 JMCDPOJUSPRTLF-CYBMUJFWSA-N 361.463 3.682 0 40 FHAB COc1cccc(CCNC(=O)Cc2cc(-c3ccc(F)cc3F)on2)c1 23127189 NQWIDFQODDAUTD-UHFFFAOYSA-N 372.371 3.530 0 40 FHAB O=C(Nc1cnc2sc3cc(Cl)ccc3n2c1=O)c1ccc(F)cc1 408601571 BLXRESBSUASQII-UHFFFAOYSA-N 373.796 3.954 0 40 FHAB COc1cc(C(=O)N2CCCC[C@H]2c2cc(C)[nH]n2)c2ccccc2n1 1558569294 HYLVGJYHQSOIGH-SFHVURJKSA-N 350.422 3.642 0 40 FHAB Cc1ccc(F)c(CC(=O)N2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c1 517507555 ITEYORBCJKJLBQ-IAGOWNOFSA-N 373.428 3.665 0 40 FHAB O=C(C[C@H](c1ccsc1)n1cccc1)N1CC[C@]2(O)CCCC[C@@H]2C1 524732823 QHWXDGZRYGJATN-QWFCFKBJSA-N 358.507 3.683 0 40 FHAB N[C@@H]1C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1 72227310 UEDMXCGMYMFLHW-UONOGXRCSA-N 351.631 3.518 0 40 FHAB CC[C@@H](C)Nc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(=O)O 217582019 GHVRTTOEIAQYTL-CYBMUJFWSA-N 368.499 3.596 0 40 FHAB O=C(COc1ccccc1-c1noc(-c2ccco2)n1)N1CCCCCC1 33325283 HBHFLVQKBXPMHS-UHFFFAOYSA-N 367.405 3.778 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=O)c2cccc(N3CCCC3=O)c2)c1 219212645 POMPOZCFYVHHTO-UHFFFAOYSA-N 366.417 3.551 0 40 FHAB Cc1cccc(Cn2nc(C)c(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)c2C)c1 32610092 IPEWDSDCMXYPAP-QZTJIDSGSA-N 369.465 3.686 0 40 FHAB O=C1Nc2ccccc2CC[C@@H]1Sc1nnc(-c2ccccc2F)o1 32073450 ZQYBHEVZLOAFKE-HNNXBMFYSA-N 355.394 3.921 0 40 FHAB O=C(c1cscn1)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 72384075 BGSVPMBTUTXKEV-AWEZNQCLSA-N 366.446 3.745 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)NCc2cccc(CN3CCCCC3)c2)c1 224698314 WWNNZYVZUOPXLJ-UHFFFAOYSA-N 372.534 3.768 0 40 FHAB O=C(Nc1ccc(N2CCCCC2)c(Br)c1)C(F)(F)F 226275486 XEVATBCMHLMRCS-UHFFFAOYSA-N 351.166 3.940 0 40 FHAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1 225421232 OLBAHZLGMRAALN-OALUTQOASA-N 366.505 3.604 0 40 FHAB O=c1[nH]c(N2CCCC2)nc2nccc(/C=C/c3ccc(Cl)cc3)c12 40388550 JMYRMCWIQHDHIQ-ZZXKWVIFSA-N 352.825 3.742 0 40 FHAB COc1ccc(S(=O)(=O)N2CCC(c3ccsc3)CC2)c(C)c1 75157161 WQTXYAFSDTVFOV-UHFFFAOYSA-N 351.493 3.633 0 40 FHAB COc1ccc2cc(S(=O)(=O)NCc3ccccc3Cl)ccc2c1 223642141 NCKPNLRELFZZMQ-UHFFFAOYSA-N 361.850 3.980 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)Cc2cccnc2C(F)(F)F)cc1C 530167320 YNDQAFNFJRTZBA-UHFFFAOYSA-N 358.385 3.538 0 40 FHAB CCOc1ccc(CCCNC(=O)CCc2ccc3c(c2)OCCO3)cc1 222644132 AFZVSTOXJDFWDT-UHFFFAOYSA-N 369.461 3.538 0 40 FHAB Cc1ccc(OCCNC(=O)CN2C(=O)c3cccc4cccc2c34)cc1C 223829350 KZUKIXCMVMNWJN-UHFFFAOYSA-N 374.440 3.612 0 40 FHAB O=C(Nc1ccncc1)c1cc(=O)c(OCc2ccc(Cl)cc2)co1 40268446 RXKCOFUACQZCCE-UHFFFAOYSA-N 356.765 3.520 0 40 FHAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(N(C)C(C)=O)cc1 223272646 UPSFZOGSVYKFBF-UHFFFAOYSA-N 360.479 3.595 0 40 FHAB C[C@@H]1CN(C(=O)CCCn2cc(-c3ccc(Cl)cc3)cn2)C[C@@H](C)O1 227154423 RPFPATMAFJOUOP-HUUCEWRRSA-N 361.873 3.620 0 40 FHAB Cc1ccc(CC(C)(C)C(=O)Nc2ccc(OCCN(C)C)nc2)cc1 225943077 ADKCDUGJKRJBLT-UHFFFAOYSA-N 355.482 3.538 0 40 FHAB COc1ccc(Cl)cc1C1=N/C(=C\c2cccc(OC)c2OC)C(=O)O1 83295046 BKNIZIKDGZNTLU-ZROIWOOFSA-N 373.792 3.710 0 40 FHAB O=C(c1ccsc1)N1CCC(Oc2ncccc2Br)CC1 96096980 WMWJSCOOXIMSFJ-UHFFFAOYSA-N 367.268 3.589 0 40 FHAB O=S(=O)(/C=C/c1ccccc1)NCc1ccnc(-c2cccs2)c1 244969052 GWCSWQLHLUHUHJ-UHFFFAOYSA-N 356.472 3.900 0 40 FHAB Cc1ncsc1CN1Cc2cccn2[C@H](CCOCc2cccnc2)C1 248013931 GVMIRSHJEQIPOZ-LJQANCHMSA-N 368.506 3.812 0 40 FHAB Cc1ncoc1C(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257336710 YPRQFTZBBQDLLG-MRXNPFEDSA-N 355.369 3.678 0 40 FHAB O=C(c1cccnc1)N1CCC[C@@H](c2ncc(Cc3ccccc3F)o2)C1 257276539 NUFGDOUGFXKISV-QGZVFWFLSA-N 365.408 3.819 0 40 FHAB C[C@H](O)c1c(-c2ccc(F)cc2)noc1C(=O)N1CCc2ccccc2C1 253408784 YSNARUSTBLLHJZ-ZDUSSCGKSA-N 366.392 3.733 0 40 FHAB biogenic,in-vitro NCc1cccc(-c2cccnc2C(=O)NCc2ccc(Cl)cc2)c1 257208571 BMSINXRDYJOIEM-UHFFFAOYSA-N 351.837 3.791 0 40 FHAB Cc1cccc(OCCNC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c1 24748595 OJVULHJXPJPHOH-KRWDZBQOSA-N 364.449 3.620 0 40 FHAB COCCn1cc(NC(=O)c2cc3c(s2)-c2ccccc2CC3)cn1 83912284 QKBLNQDGRWDVPX-UHFFFAOYSA-N 353.447 3.609 0 40 FHAB CC(C)=C1[C@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@H]21 13777981 QFKKOOAREIAMNX-SDSIWUNFSA-N 358.235 3.707 0 40 FHAB COc1ccc([C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1OC 14220424 MYFMMTXGWWVJPC-AWEZNQCLSA-N 371.458 3.897 0 40 FHAB Fc1ccc(CN2CCC(c3noc(-c4ccncc4)n3)CC2)c(F)c1 19293060 KCCXRBMHXLJBIB-UHFFFAOYSA-N 356.376 3.789 0 40 FHAB O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccc2F)C1)C1CC1 19348937 YKWLJDCNBGOAHX-WIYYLYMNSA-N 367.468 3.700 0 40 FHAB O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1-c1ccccc1Cl 19960198 IGEYVVGADVISHE-UHFFFAOYSA-N 373.803 3.749 0 40 FHAB CCOc1cc(/C=C2/SC(=O)N(c3ccc(O)cc3)C2=O)ccc1O 2244901 WMZFYAJFXCCOKB-MHWRWJLKSA-N 357.387 3.737 0 40 FHAB Cc1ccc2[nH]c3nc(SCC(=O)Nc4ccccc4F)nnc3c2c1 35312211 SZEYYWSHJBNSAV-UHFFFAOYSA-N 367.409 3.684 0 40 FHAB O=C(N[C@](Cc1ccccc1)(C(=O)O)C(F)(F)F)OCc1ccccc1 16158529 PXBSQCFFRSRVMW-QGZVFWFLSA-N 367.323 3.541 0 40 FHAB Cc1cc(N2CCC(CNC(=O)c3ccc4ncsc4c3)CC2)ccn1 1888897693 ISBYSYGTRDTOAU-UHFFFAOYSA-N 366.490 3.646 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccccc1N1CCCCC1 14701889 LSAIBMLDINCWPA-UHFFFAOYSA-N 352.434 3.977 0 40 FHAB CSc1ccccc1NC(=O)N1CC[C@@H]2C[C@@]21C(=O)N1CCC(C)CC1 2056225216 INRYCRSPEFVFSD-QRWLVFNGSA-N 373.522 3.663 0 40 FHAB O=C(N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1)c1ccccc1 3112106 UCLOSSMUCSYBSX-OAQYLSRUSA-N 359.425 3.771 0 40 FHAB CCOc1ccc([C@H](CC(=O)O)NC(=O)C[C@@H](C)c2ccccc2)cc1 3624697 KLTPKDWETZFLCT-BEFAXECRSA-N 355.434 3.911 0 40 FHAB O=C(CSc1ccc(-c2ccncc2)nn1)Nc1cccc(Cl)c1 4392107 IIPJIPQGJFKPPY-UHFFFAOYSA-N 356.838 3.923 0 40 FHAB CCOc1ccc(Cc2nnc(Nc3ccc(Cl)cc3)[nH]c2=O)cc1 5154509 SUYHRGROYZHUTL-UHFFFAOYSA-N 356.813 3.551 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2[C@@H](C)Nc3ncnn3[C@H]2c2cccs2)c(C)c1 11694939 AVSIXKSRHTWGDQ-XYPHTWIQSA-N 367.478 3.615 0 40 FHAB O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@@H](Oc2ccncn2)C1 575609166 JZBLWBDKFVHRKH-HXUWFJFHSA-N 373.456 3.679 0 40 FHAB Cc1cc2ncnc(N3CCC(COc4ccncc4Cl)CC3)c2[nH]1 2298076608 RALJGGMNWWDOGI-UHFFFAOYSA-N 357.845 3.610 0 40 FHAB O=C(CCNC(=O)C1CCCC1)N[C@H](c1ccc(F)cc1)C1CCCC1 40142548 QRKOBJTXGKZWFI-FQEVSTJZSA-N 360.473 3.870 0 40 FHAB CC(C)c1nnc(S[C@@H](C(=O)NCc2cccnc2)C(C)C)n1C1CC1 50247742 UKPXHVWXNOTTGO-MRXNPFEDSA-N 373.526 3.565 0 40 FHAB O=C(Nc1cc(Br)ccc1Br)C1CCOCC1 31950522 FUDCNULTVGSSJX-UHFFFAOYSA-N 363.049 3.577 0 40 FHAB O=C(NCc1cccnc1Oc1cccc(F)c1)c1cccnc1S 32685335 MEVHXFRQJWRVIK-UHFFFAOYSA-N 355.394 3.627 0 40 FHAB COc1ccccc1/C=C(/C(=O)NCCc1ccccn1)c1ccccc1 32657503 LATNRYCSYOGYKB-HEHNFIMWSA-N 358.441 3.990 0 40 FHAB COc1ccc(-c2nnc(S[C@H](C)C(N)=O)n2[C@@H]2CCCC[C@@H]2C)cc1 21258121 NOULKAYSNPHPQA-WOSRLPQWSA-N 374.510 3.671 0 40 FHAB O=C(COc1cccc(-c2nnc3n2CCCCC3)c1)Nc1ccccc1 32866066 DESMQQQUGIYVMV-UHFFFAOYSA-N 362.433 3.689 0 40 FHAB O=C(N[C@@H]1CCc2c(O)cccc21)c1ccn(-c2cccc(Cl)c2)n1 102826015 UZVHSJDNBNWWEP-MRXNPFEDSA-N 353.809 3.649 0 40 FHAB Cc1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)nc1-c1ccc(F)cc1 2738021 XWJJYBAUSQFKSQ-UONOGXRCSA-N 360.410 3.863 0 40 FHAB CCN(CC)C(=O)CSc1nnc2cc(C)c3cc(C)cc(C)c3n12 902989 XPQURYFXZLDTPD-UHFFFAOYSA-N 356.495 3.768 0 40 FHAB O=C(Nc1ncccc1O)c1ccc(-c2ccc3c(c2)OCCO3)s1 21901704 ZFHBDWAFJFNEDO-UHFFFAOYSA-N 354.387 3.539 0 40 FHAB Cc1ccc2c(c1)[C@@]1(SCCC(=O)N1c1ccc(Cl)cc1)C(=O)N2 1608186 PNZMLDZZBBNRJP-GOSISDBHSA-N 358.850 3.923 0 40 FHAB CCSc1nnc2c(n1)OC(C)(C)Nc1ccc(Br)cc1-2 2470436 QJKVCSIOGFVCSO-UHFFFAOYSA-N 367.272 3.954 0 40 FHAB CCSc1nnc(NC(=O)COc2cccc(C(F)(F)F)c2)s1 2623068 ULCGTMOBSMRBLB-UHFFFAOYSA-N 363.386 3.686 0 40 FHAB O=c1c2c3c(sc2nc2n1N=C(c1ccc(F)cc1)CS2)CCCC3 642548 KLJBWTJUZMREBY-UHFFFAOYSA-N 371.462 3.834 0 40 FHAB NC(=O)c1c(NC(=O)c2cccc(Cl)c2Cl)sc2c1CCC2 6861716 YMRXGMDSYRZDLO-UHFFFAOYSA-N 355.246 3.895 0 40 FHAB N=C1NC(=O)/C(=C\c2ccccc2OCCOc2ccccc2Cl)S1 7001338 UZRUWSVIVZKYSY-LFIBNONCSA-N 374.849 3.936 0 40 FHAB NC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl 7094279 QGQOREVLCHCKDH-UHFFFAOYSA-N 369.273 3.964 0 40 FHAB CCCN1C(=O)c2ccccc2N[C@H]1C1=Cc2ccc(OC)cc2OC1 22815365 QIGLAAJBXJBROH-HXUWFJFHSA-N 350.418 3.775 0 40 FHAB Cc1nc(-c2ncccn2)sc1C(=O)OCCCOc1ccc(F)cc1 47312474 UBTRIWXYCFBPFK-UHFFFAOYSA-N 373.409 3.674 0 40 FHAB Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)OCc2ccccc2)c1 1088708 ALHNZCFVIMQQKF-QGZVFWFLSA-N 356.447 3.645 0 40 FHAB Cn1nc(C(F)(F)F)c(CNC(=O)C(C)(C)C)c1Oc1ccccc1 1402145 XTVAUIGENFCKMG-UHFFFAOYSA-N 355.360 3.894 0 40 FHAB CC1CCN(Cn2nc(CN3CCCC3)n(-c3ccccc3)c2=S)CC1 12534740 ONFIPMQKYNPPGI-UHFFFAOYSA-N 371.554 3.688 0 40 FHAB CCN(CC)C(=O)CCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O 54360739 JYKRCQJFDDYRQN-NJAVVXAXSA-N 358.463 3.538 0 40 FHAB CCN(Cc1cccc(F)c1)C(=O)NCCc1ccc(OC)c(OC)c1 26519399 LSKVJWOCOFVGMS-UHFFFAOYSA-N 360.429 3.617 0 40 FHAB Cc1nc2sc([C@H](c3ccc(F)cc3)N3CCC[C@@H](C)C3)c(O)n2n1 23157449 ZKQVYCGRFVCSRZ-ABAIWWIYSA-N 360.458 3.765 0 40 FHAB COc1ccc(C(C)C)cc1S(=O)(=O)N[C@H](C)c1ccc(F)cc1 22540390 AGJGDGDRCZAZDT-CYBMUJFWSA-N 351.443 3.997 0 40 FHAB CN(C)c1c(Cl)cccc1NC(=O)Cc1ccc(N2CCCC2=O)cc1 48260233 ORNKKZVAJYCTKL-UHFFFAOYSA-N 371.868 3.714 0 40 FHAB O=C(C[C@@H]1C=CCC1)Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 27597419 OZNXVJBGZACOQT-CQSZACIVSA-N 364.401 3.962 0 40 FHAB COc1ccc(C)cc1NC(=O)CN1CCC(Cc2ccccc2)CC1 3347788 SFXQEEZPOGABTH-UHFFFAOYSA-N 352.478 3.897 0 40 FHAB C[C@@H](c1ccccc1F)N(C(=O)NCc1ccc2c(c1)OCO2)C1CC1 58132683 HMRVWGIKRFJCLZ-ZDUSSCGKSA-N 356.397 3.990 0 40 FHAB Cc1c(-c2nn3c(CC(C)C)nnc3s2)cnn1Cc1ccccc1 72405448 ZRPVGHMQUYLNPV-UHFFFAOYSA-N 352.467 3.605 0 40 FHAB C[C@H]1CCC[C@](CNC(=O)Nc2ccccc2-n2cccn2)(N(C)C)C1 58368948 BOJRSZWIBSVOIL-JXFKEZNVSA-N 355.486 3.504 0 40 FHAB CCOc1ccc(-c2ccnc3nc(N4CCC(C)CC4)[nH]c(=O)c23)cc1 22606950 CWSDCMXZEXVWIJ-UHFFFAOYSA-N 364.449 3.620 0 40 FHAB COc1cccc(CNC(=O)NCc2ccc(OCC(F)(F)F)cc2)c1 23392526 IBFCZVXOBDKXPF-UHFFFAOYSA-N 368.355 3.636 0 40 FHAB CCCC(=O)Nc1ccc2c(c1)nc(CCNC(=O)C1CCCCC1)n2C 2363086 MMHXQOGVPKVEGW-UHFFFAOYSA-N 370.497 3.551 0 40 FHAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)OCc1coc(-c2cccs2)n1 12739752 QEWUSYLOILNSJJ-GFCCVEGCSA-N 371.418 3.657 0 40 FHAB Cc1cccc(OCC(=O)Nc2nc(CN3CCCCC3)cs2)c1C 12749561 SOVUXALPADXBEX-UHFFFAOYSA-N 359.495 3.763 0 40 FHAB COc1ccc2c(c1)NC(=O)[C@@]21Nc2ccccc2C(=O)N1c1ccccc1 48311957 CZYYSDLMTGBRRE-JOCHJYFZSA-N 371.396 3.573 0 40 FHAB O=C(COc1ccc(Cl)cc1)N(Cc1ccccn1)[C@@H]1CCSC1 48310766 KBZBOEKVPJDJKA-MRXNPFEDSA-N 362.882 3.648 0 40 FHAB Cc1sc2nc(-c3cccs3)nc(Sc3nnnn3C)c2c1C 3432544 UBYJBOKGXBLVKR-UHFFFAOYSA-N 360.493 3.711 0 40 FHAB CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 3557654 MXKJAEMCCMLIAJ-UHFFFAOYSA-N 372.490 3.676 0 40 FHAB Cc1cnc(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)s1 9114702 LALGGARDLMAXTK-LLVKDONJSA-N 353.856 3.547 0 40 FHAB O=C(Cc1ccccc1)Nc1ccccc1C(=O)OCC(=O)c1ccccc1 4174315 AGAAFQHVTHCMKD-UHFFFAOYSA-N 373.408 3.908 0 40 FHAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NC(C)C)ccc1Cl 6416197 WZHNGKGTISLNAK-UHFFFAOYSA-N 366.870 3.587 0 40 FHAB O=C1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(F)cc2N1 14186878 DGDLUWPHLRXMPM-CYBMUJFWSA-N 352.287 3.909 0 40 FHAB Cc1cc(C)n2nc(S[C@H](C)C(=O)c3c(C)[nH]c4ccccc34)nc2n1 4523691 UWCVOTWKIPRCEM-CYBMUJFWSA-N 365.462 3.894 0 40 FHAB CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 14246731 DTCDXGSFTVESJD-UHFFFAOYSA-N 359.253 3.686 0 40 FHAB O=C(CCNC(=O)c1ccco1)Nc1ccc(Cl)c(C(F)(F)F)c1 6543665 PHAVGDSMRCBYHI-UHFFFAOYSA-N 360.719 3.710 0 40 FHAB Nc1nc2c(s1)[C@@H](c1ccc(OCc3ccc(F)cc3)cc1)CC(=O)N2 15107523 FXQFZELSCWPCPK-OAHLLOKOSA-N 369.421 3.918 0 40 FHAB O=S(=O)(c1ccccc1N[C@@H]1CCc2c(O)cccc21)C(F)(F)F 72307619 PLJCLIWQFNMOQP-GFCCVEGCSA-N 357.353 3.785 0 40 FHAB C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccccc1N1CCc2ccccc21 68788844 AAQOLBQMXQFBFY-SJLPKXTDSA-N 366.461 3.903 0 40 FHAB CCOC(=O)c1sc(NC(=O)CC2(C(=O)O)CCCCCC2)cc1C 16481907 QKVRQEUIQIFEMT-UHFFFAOYSA-N 367.467 3.987 0 40 FHAB COC(=O)c1ccc(NCc2nc(-c3ccc(C)c(F)c3)no2)c(C)c1 84185428 FBUHEUHLESCWQY-UHFFFAOYSA-N 355.369 3.891 0 40 FHAB C[C@@H]1CCC2=NN(C(=O)CCc3ccccc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409051543 AQHBXMDWQXNEII-MRRJBJDNSA-N 354.372 3.505 0 40 FHAB CC[C@@H](Oc1ccccc1)C(=O)N(C)Cc1nnc(-c2ccc(C)cc2)o1 408714410 QCITVTNBYIRDQL-GOSISDBHSA-N 365.433 3.861 0 40 FHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@]2(C)CC2(Cl)Cl)c(C)c1 17962288 LPZIUVMYZVIUOE-INIZCTEOSA-N 357.281 3.593 0 40 FHAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(Br)o1 8722803 CGMWKFDABYJASE-UHFFFAOYSA-N 363.211 3.530 0 40 FHAB Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2C)c(C)n1C1CC1 8749953 RVZCRGXGYLWDRN-UHFFFAOYSA-N 367.474 3.662 0 40 FHAB COc1ccc(S[C@H](C)C(=O)NCc2ccccc2-n2ccnc2)cc1 20048722 NQMFIAPAAAUCME-OAHLLOKOSA-N 367.474 3.678 0 40 FHAB COc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(OC)c1OC 408902480 OHTDAZUOPHFEBG-RVDMUPIBSA-N 371.414 3.953 0 40 FHAB O=S(=O)(Cc1cccc2cccnc12)N1CCC[C@@]2(CC=CCC2)C1 117924102 FNPSZWPOMDOXMZ-FQEVSTJZSA-N 356.491 3.887 0 40 FHAB Cc1nccn1-c1ccc(CNC(=O)[C@H](C)Sc2ccccc2)cc1 20456571 XVESSBSCILJXBT-HNNXBMFYSA-N 351.475 3.978 0 40 FHAB C[C@H](NC(=O)c1cc(N(C)C)nc2ccccc12)[C@@H]1COc2ccccc21 509191873 MPMXBJNCIYMFDW-KSSFIOAISA-N 361.445 3.595 0 40 FHAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccccc2Cl)nn1 32091896 DDGVWMCTELJXFY-GFCCVEGCSA-N 369.812 3.756 0 40 FHAB O=C(O)[C@H]1COC2(CCCCC2)N1C(=O)c1ccc(-c2ccccc2)cc1 71979736 KIWYWGHCFZMGTJ-LJQANCHMSA-N 365.429 3.940 0 40 FHAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2cccnc2)n1 72378873 XTYJJZCMDWYVAG-SFHVURJKSA-N 361.449 3.763 0 40 FHAB Cc1ccc(N2CCC(C(=O)NCCCN(C)c3ccccc3)CC2)cc1 219867046 BMLFOYLRNFZBGI-UHFFFAOYSA-N 365.521 3.854 0 40 FHAB Cc1ncccc1Oc1nccnc1[C@H]1CCCN(Cc2ccccn2)C1 72383643 IWDWVZJJHIPULB-KRWDZBQOSA-N 361.449 3.747 0 40 FHAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl 223826141 GPJYUXHYSOTNBH-UHFFFAOYSA-N 360.218 3.581 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 223239766 YRKXBKWMMJKPCN-HXUWFJFHSA-N 370.468 3.538 0 40 FHAB COc1ccc(/C=C/C(=O)NCCOc2cc(C)ccc2C)cc1OC 223977059 RLUJFLPBWFPHHX-CSKARUKUSA-N 355.434 3.529 0 40 FHAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCCc1ccccc1 222826342 UTGKVHWWJGJGPS-INIZCTEOSA-N 372.896 3.826 0 40 FHAB Cc1c([C@H](C)NC(=O)c2ccc(S(C)(=O)=O)cc2)oc2ccccc12 46649927 XOXFXIVEPNYNAY-ZDUSSCGKSA-N 357.431 3.636 0 40 FHAB CCn1c(=O)sc2cc(NC(=O)CCc3ccc(OC)cc3)ccc21 225126455 JUFDQTJFKPZSEQ-UHFFFAOYSA-N 356.447 3.663 0 40 FHAB CCOc1cccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 223665056 FQRJOOIPOBDCDB-UHFFFAOYSA-N 361.463 3.990 0 40 FHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCOc1ccccc1OC 224471144 HTSFILPHYINAKS-QGZVFWFLSA-N 357.450 3.665 0 40 FHAB COc1cccc(OCCNC(=O)COc2ccc(C(C)(C)C)cc2)c1 224260519 GYJNGBXZXSWSIL-UHFFFAOYSA-N 357.450 3.567 0 40 FHAB CCc1c(C)nc2n(c1=O)CN(Cc1ccccc1)CN2c1ccccc1 40308055 HKRLDIJJSKOZSE-UHFFFAOYSA-N 360.461 3.683 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)COc1ccc(OC)cc1 44904973 BSFZKQBWIHKVKI-AUUYWEPGSA-N 361.413 3.575 0 40 FHAB CC(C)CNC(=S)Nc1nc(Cl)cc(N2C[C@@H](C)C[C@@H](C)C2)n1 225893405 GFSZMCPSYLTQTO-TXEJJXNPSA-N 355.939 3.555 0 40 FHAB O=C(Nc1ccccc1Oc1ccccc1)c1cc(N2CCOCC2)on1 224080811 CLJKLRORSOUZIZ-UHFFFAOYSA-N 365.389 3.556 0 40 FHAB O=C(O)C[C@@H]1CCN(C2CCCCC2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 514289062 MZABUSPAVFEZKI-GJZGRUSLSA-N 373.472 3.990 0 40 FHAB biogenic,in-vitro Cc1cc(NC(=O)N[C@@H]2C[C@@H](C)n3ccnc32)cnc1N1CCCC[C@H]1C 333294306 BFWGBDPMBFVUQM-BFYDXBDKSA-N 368.485 3.793 0 40 FHAB CC(C)N1CCN(C(=O)c2cc3c(c4ccccc4n3C(C)C)n2C)CC1 96037361 WYRPMNCUQQXRRC-UHFFFAOYSA-N 366.509 3.880 0 40 FHAB O=C(NC[C@@H]1CCOc2ccccc2C1)c1ccc(CN2CCCC2)cc1 95383360 WVYVYYTTXUZDRK-LJQANCHMSA-N 364.489 3.654 0 40 FHAB O=c1[nH]n(C2CCCC2)c2c1[C@H](c1ccc(F)cc1F)SCC(O)=N2 95472673 LKRNTEVCRCRZCO-HNNXBMFYSA-N 365.405 3.994 0 40 FHAB O=C(CSCc1ccccc1)NCCc1nc(-c2cccs2)c[nH]1 86071828 UWHDZBXHCHOEKA-UHFFFAOYSA-N 357.504 3.730 0 40 FHAB O=C(Nc1cc(Cl)cc2cccnc12)[C@@H]1CC(=O)N(C2CCCC2)C1 641898237 JWCNCAUTIJZNLI-CYBMUJFWSA-N 357.841 3.618 0 40 FHAB CC1(C)C[C@@H](NC(=O)c2nnc(O)c3ccccc23)c2cc(F)ccc2O1 652818570 KUBDFEVNLLHKAC-OAHLLOKOSA-N 367.380 3.507 0 40 FHAB C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1cn2ccccc2n1 674327136 QNNKMNYMDALVSP-BFUOFWGJSA-N 352.413 3.596 0 40 FHAB CO[C@](C)(CNS(=O)(=O)c1cc(C)ccc1C)c1cccc(Cl)c1 96392809 ZAPPJMOYTUHYAR-GOSISDBHSA-N 367.898 3.797 0 40 FHAB Cc1sc2nc(CCC(=O)N(CC(C)C)CC(C)C)[nH]c(=O)c2c1C 95396529 HUFQMIKBDNMTQM-UHFFFAOYSA-N 363.527 3.675 0 40 FHAB Cc1ccc(OCCC(=O)OCC(=O)Nc2ccc(C)cc2Cl)cc1 5987208 VQODZKDDKROHCS-UHFFFAOYSA-N 361.825 3.908 0 40 FHAB Cn1ccnc1[C@H](NC(=O)C1(c2ccccc2)CC1)c1ccc(F)c(F)c1 12115020 HFDUKVMTRNBPAW-GOSISDBHSA-N 367.399 3.636 0 40 FHAB CC1(C)Cc2nc(-c3cnccn3)ncc2[C@H](NC(=O)C2CCCCC2)C1 12238839 SLFWYWHCNQRVCL-QGZVFWFLSA-N 365.481 3.644 0 40 FHAB O=C(OCCOC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1ccccc1 12599545 HNUSCNYOCSPRKL-UHFFFAOYSA-N 374.392 3.931 0 40 FHAB Cc1cccc(N2C[C@@H](C(=O)NCc3ccccc3Cl)CC2=O)c1C 14261894 DIUDJFJTVRDYNA-INIZCTEOSA-N 356.853 3.626 0 40 FHAB C[C@H]1CCCCN1C(=O)NCCCCCCNC(=O)N1CCCC[C@@H]1C 19075007 FPOWYPUCAFKEGW-ROUUACIJSA-N 366.550 3.715 0 40 FHAB CCc1ccccc1Nc1noc2c1CN(C(=O)Cc1cccnc1)CC2 19523062 BUFYSGYJAPFNOW-UHFFFAOYSA-N 362.433 3.503 0 40 FHAB COc1ccc(CN2CCO[C@@H](c3cc4ccccc4cn3)C2)c(OC)c1 19552457 OZIJDXYHMKGZSF-JOCHJYFZSA-N 364.445 3.826 0 40 FHAB CCN1C(=O)COc2ccc(-c3nc(NC(=O)C(C)(C)C)sc3C)cc21 19796507 JIFSKUZMZLNYIQ-UHFFFAOYSA-N 373.478 3.848 0 40 FHAB Oc1nc(SCc2nnc(-c3ccco3)o2)nc2cc(Cl)ccc12 1640926478 JUWOMKKAWLHDNY-UHFFFAOYSA-N 360.782 3.924 0 40 FHAB O=C(NCCc1c(F)cc(O)cc1F)c1cc(Cl)c2ccccc2n1 1639087710 XECVKLIDRCZBJR-UHFFFAOYSA-N 362.763 3.845 0 40 FHAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)/C=C/c1ccco1 6441655 MUSDNDORPZCBFB-VQHVLOKHSA-N 352.346 3.785 0 40 FHAB C[C@@H](OC(=O)/C=C/c1ccco1)C(=O)Nc1nc(-c2ccccc2)cs1 3376088 MSPDANQBWLJFPB-WTNCMQEWSA-N 368.414 3.987 0 40 FHAB O=C(Cn1c(=O)cnc2ccccc21)Nc1cccc(Oc2ccccc2)c1 6881177 YCZSMDPXAGOMJC-UHFFFAOYSA-N 371.396 3.828 0 40 FHAB FC(F)(F)c1ccnc(N2C[C@@H]3CCN(c4nccc5occc45)[C@H]3C2)c1 1889201609 DSIDPINMECFTNC-WFASDCNBSA-N 374.366 3.957 0 40 FHAB CCOc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OC(C)=O 1020965 YDBYPAJKYAIGSV-BOPFTXTBSA-N 365.385 3.664 0 40 FHAB CCOc1ccc(NC(=O)CSc2ccc(-c3ccco3)nn2)cc1 4357783 BEZZTRZTMBLPDW-UHFFFAOYSA-N 355.419 3.866 0 40 FHAB O=S(=O)(NCc1ccc(-c2ccoc2)o1)c1ccc(F)c(Cl)c1 575611531 VXRHTTPEGBZKPZ-UHFFFAOYSA-N 355.774 3.811 0 40 FHAB O=C(NC[C@H](c1cccs1)n1cccn1)c1nc2ccccc2s1 575612928 DNPHFNYRHTUSQO-CYBMUJFWSA-N 354.460 3.574 0 40 FHAB CCOC(=O)C1=C(c2ccccc2)O/C(=C(\C(=O)OC)C(F)(F)F)S1 13477484 SOIAWOQSOUAHMP-GDNBJRDFSA-N 374.336 3.629 0 40 FHAB O=C(c1ccsc1)N1CCC(C(=O)N2CCCCc3ccccc32)CC1 40133949 UNRUBRJMRODDPY-UHFFFAOYSA-N 368.502 3.970 0 40 FHAB Cc1cccc2c(=O)n(CCCC(=O)Nc3cccc(Cl)c3)cnc12 10404790 KRVSUYAROBARPN-UHFFFAOYSA-N 355.825 3.777 0 40 FHAB COc1ccc([C@H](O)CNC(=O)Nc2cccc(C(F)(F)F)c2)cc1 40096037 MYKNPLUYEZTWRP-OAHLLOKOSA-N 354.328 3.569 0 40 FHAB CCOP(=O)(OCC)/C(=C\N1CCCCC1)NC(=O)c1ccccc1 100295617 GXKUAJBUNCEGNK-ICFOKQHNSA-N 366.398 3.967 0 40 FHAB O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(Oc2ccncc2)cc1 50487954 JVPPHGBOTPGIHV-UHFFFAOYSA-N 374.462 3.560 0 40 FHAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc2ccccc2oc1=O 31264689 DOGCKXRHFTWYSQ-KRWDZBQOSA-N 365.385 3.603 0 40 FHAB O=C(CCN1CCC(c2nc3ccccc3s2)CC1)Nc1ccccn1 32937651 GSVCOAGRFCTLQT-UHFFFAOYSA-N 366.490 3.900 0 40 FHAB COc1cc(Br)c(CCNC(=O)CC(C)(C)C)cc1OC 21961499 VSBRINVLOHFKIX-UHFFFAOYSA-N 358.276 3.561 0 40 FHAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1cc(C)nc2ccccc12 1458798 NTRXCMBSTUNHLM-IBGZPJMESA-N 350.374 3.842 0 40 FHAB CCC1CCC(C(=O)N[C@@H](C(=O)Nc2ccc(OC)cc2)C(C)C)CC1 3895626 WTFMLUMQTDIBNP-LADRWXRNSA-N 360.498 3.991 0 40 FHAB COc1ccc(C(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc23)cc1 4130154 MDRLMNWOXRLMNC-UHFFFAOYSA-N 368.393 3.629 0 40 FHAB O=C(Nc1c(F)c(F)cc(F)c1F)c1ccn(COc2ccccc2)n1 2798225 ZBHYWQGWQAKSJP-UHFFFAOYSA-N 365.286 3.728 0 40 FHAB COC(=O)c1c(C)[nH]c(-c2ccccc2)c1[C@H]1C(=O)Nc2ccc(F)cc21 103871346 BTMCYUGFUBXFCW-KRWDZBQOSA-N 364.376 4.000 0 40 FHAB COc1ccccc1[C@H](CNC(=O)CSc1ccccc1C)N(C)C 22678891 HMYSMSSDFKTZAS-KRWDZBQOSA-N 358.507 3.515 0 40 FHAB CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1 6239057 GCKHCLHHIAXUHI-UHFFFAOYSA-N 371.462 3.559 0 40 FHAB COC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1 6421313 BLOJSNJQNATHFF-UHFFFAOYSA-N 374.396 3.978 0 40 FHAB CCOC(=O)C1CCN(C(=S)Nc2ccc(Cl)c(Cl)c2)CC1 6439084 OAIQZMNALCNOTM-UHFFFAOYSA-N 361.294 3.965 0 40 FHAB O=C(O[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cc2ccccc2o1 12239490 VFMFEYUFVUKACX-SFHVURJKSA-N 353.349 3.749 0 40 FHAB Cc1nc(NC(=O)c2cc(=O)[nH]c3ccccc23)sc1-c1ccccn1 23500222 DQNBVRDCJWKBLV-UHFFFAOYSA-N 362.414 3.607 0 40 FHAB CCOc1cc(CNC[C@@H]2CCCO2)cc(Br)c1OCC 8253841 HBLPSXISPJPACF-ZDUSSCGKSA-N 358.276 3.515 0 40 FHAB Cc1cccc(NC(=O)COC(=O)CCC(=O)Nc2cc(C)ccc2C)c1 8414936 PIOMARHHRCXVRK-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB Cc1ccc(C)c(NC(=O)CCCC(=O)OCC(=O)Nc2ccccc2)c1 8417634 QJDAWINRKDFUEO-UHFFFAOYSA-N 368.433 3.594 0 40 FHAB CC1CCN([C@@H](CNC(=O)Nc2nccs2)c2cccs2)CC1 42739016 PDADRMFBBIGVNW-ZDUSSCGKSA-N 350.513 3.799 0 40 FHAB O=C(NC[C@H]1COc2ccccc2O1)N1CCCCC[C@@H]1c1ccncc1 43078234 HYUKHBVORPPCDJ-ZWKOTPCHSA-N 367.449 3.548 0 40 FHAB CCCN(CCC)C(=O)c1ccc(NC(=O)NCc2cccnc2)cc1 47599020 MTOCVHIQGOSIMN-UHFFFAOYSA-N 354.454 3.666 0 40 FHAB O=C(N[C@@H]1CCCc2ccccc21)c1cn2c3c(cccc3c1=O)CCC2 22235578 GEPLANWZOWQROA-HXUWFJFHSA-N 358.441 3.755 0 40 FHAB S=C(NCc1cc(Cl)c2c(c1)OCCCO2)N[C@H]1C[C@H]2CC[C@H]1C2 106744114 BYSBMHLXUIVZPF-WHOFXGATSA-N 366.914 3.654 0 40 FHAB C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]12 101357054 BYVFOFBKVZWNOW-CRJCFHLZSA-N 371.742 3.582 0 40 FHAB CC(=O)Nc1ccc(F)c(C(=O)NCc2ccc(Br)s2)c1 53459584 FXKIXDXYUWYRFL-UHFFFAOYSA-N 371.231 3.538 0 40 FHAB O=C(c1ccco1)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccsc2)C1 48251648 XYCHXJMAHZOUOD-GOEBONIOSA-N 358.463 3.557 0 40 FHAB C[C@H](Sc1nnc(N2CCOCC2)n1C1CC1)c1ccc(F)c(F)c1 58171081 ZXRWFAMMGHZIJH-NSHDSACASA-N 366.437 3.581 0 40 FHAB Cc1ccc(COc2ccccc2/C=C/C(=O)N[C@@H](C(=O)O)C(C)C)cc1 62715346 NOHRBGZSMMUCOQ-JNCYCUAHSA-N 367.445 3.813 0 40 FHAB COc1ccc2c(c1)CCN2C(=O)c1ccc(NC(=O)c2ccco2)s1 58717360 FSLQZQYWDWURSD-UHFFFAOYSA-N 368.414 3.805 0 40 FHAB COc1ccc(OC)c(CN2CCN(c3nc4ccccc4s3)CC2)c1 12749237 LKJLDADNKHJGHD-UHFFFAOYSA-N 369.490 3.636 0 40 FHAB CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1OC 2360942 IFNLVECWWFLDHI-UQBPGWFLSA-N 363.394 3.782 0 40 FHAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCc1cccc(C(F)(F)F)c1 27974605 QFENBQZKUUOYGY-NSHDSACASA-N 367.323 3.518 0 40 FHAB C[C@H](NS(=O)(=O)Cc1ccc(F)cc1)c1cccc(OC(F)F)c1 46035950 AAFALNHPGTWHSP-NSHDSACASA-N 359.369 3.608 0 40 FHAB CCOc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccccc2)cc1 12999437 CFYLJGSGVQKZML-UHFFFAOYSA-N 354.435 3.645 0 40 FHAB CCOc1ccc(NC(=O)Cn2c(-c3cccc(C)c3)n[nH]c2=S)cc1 13001630 UCDQHKLEYVQHIS-UHFFFAOYSA-N 368.462 3.954 0 40 FHAB CC(=O)Nc1ccc(CC(=O)Nc2ccccc2OC(F)(F)F)cc1 27824964 DXWRTDPJOLDSGF-UHFFFAOYSA-N 352.312 3.725 0 40 FHAB COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1Cl 14009715 SJPSSQQEKWPWPH-OQLLNIDSSA-N 360.772 3.581 0 40 FHAB O=C(Nc1cccc2[nH]ccc12)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 65576500 AQJMGRPGQFKXLE-LBPRGKRZSA-N 353.809 3.813 0 40 FHAB Cc1nc(-c2cc3c(s2)CCN(CC(=O)N[C@@H](C)C(C)C)C3)cs1 93259426 KRIRRJZGTQEIPH-LBPRGKRZSA-N 363.552 3.699 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)c1cc(C2CC2)nc2onc(C)c12 14204513 QBWCTIGOMPGEOT-UHFFFAOYSA-N 365.389 3.838 0 40 FHAB CC(C)c1ccc(-n2nnnc2SCC(=O)N(C)C2CCCCC2)cc1 5492586 HWLBRCFOJAOXCB-UHFFFAOYSA-N 373.526 3.669 0 40 FHAB CN(C)Cc1ccccc1CNC(=O)c1ccccc1C(=O)c1ccccc1 14314180 OIOSUADTRADDOJ-UHFFFAOYSA-N 372.468 3.909 0 40 FHAB CCN1C(=O)S/C(=C/c2cc(Cl)c(O)c(Br)c2)C1=O 4670404 VDWKNMFULPGUOK-WEVVVXLNSA-N 362.632 3.864 0 40 FHAB CCC(CC)(CC(=O)OC)NC(=O)Nc1ccc(N(C)C)c(Cl)c1 96013205 UBXOKPMBOMZMAA-UHFFFAOYSA-N 355.866 3.649 0 40 FHAB CCCSc1nnc(NC(=O)c2cc(=O)c3cc(C)ccc3o2)s1 6811408 SHYBJLSRDAVCJT-UHFFFAOYSA-N 361.448 3.707 0 40 FHAB CN(CC1CCN(C(=O)C(C)(C)C)CC1)[C@H]1CCCN(c2ccccc2)C1 96012974 FBGGHUSTSPHKGF-NRFANRHFSA-N 371.569 3.872 0 40 FHAB Cc1cc(C(=O)NC[C@H](C)c2ncc(C)s2)c2cnn(C(C)C)c2n1 96014067 KWZFFSFZTSJYPS-NSHDSACASA-N 357.483 3.619 0 40 FHAB C[C@@H](OC(=O)c1csc2c1CCCC2)C(=O)N(C)Cc1ccccc1 5968312 MISUCDGPWQXFOX-CQSZACIVSA-N 357.475 3.831 0 40 FHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2SC)c1 26529230 VEIYGZFSHFDZNO-UHFFFAOYSA-N 371.867 3.649 0 40 FHAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1C 7236657 OCKSHKKIPVSGOU-UHFFFAOYSA-N 372.450 3.513 0 40 FHAB O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1nc2ccc(F)cc2s1 9363879 MQTDVQKRTJILGC-AWEZNQCLSA-N 373.434 3.877 0 40 FHAB COc1ccc(F)cc1S(=O)(=O)N[C@H](C)c1ccc(SC)cc1 20030066 MCRMCKXPQRFNEF-LLVKDONJSA-N 355.456 3.596 0 40 FHAB C[C@H](NC(=O)CSc1nnc2ccccn12)c1ccc2c(c1)CCCC2 7829494 HTRMPNAUJSCTLN-AWEZNQCLSA-N 366.490 3.578 0 40 FHAB COc1ccc(CCC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1OC 9577271 BHSGCWRJJWQSLY-UHFFFAOYSA-N 370.424 3.616 0 40 FHAB Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(-c2ccccc2Cl)n1 17075360 DUOKRBULBPPJGH-UHFFFAOYSA-N 366.856 3.944 0 40 FHAB CC1(C)CC(=O)CC(C)(C)N1C(=O)CSc1ncnc2sccc12 8753881 WXPUQVNHQPVCHG-UHFFFAOYSA-N 363.508 3.532 0 40 FHAB COc1ccc(-c2csc3ncnc(N4CCCN(C)CC4)c23)cc1 8733953 ABJICQMNIWRNNC-UHFFFAOYSA-N 354.479 3.509 0 40 FHAB Cc1ccc(C(C)(C)CNC(=O)C(=O)Nc2cncc3ccccc23)cc1 95976082 MQGFUVBUUORCNC-UHFFFAOYSA-N 361.445 3.576 0 40 FHAB CN(Cc1ncon1)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 95993591 JBFALGANPZAZAT-UHFFFAOYSA-N 369.233 3.772 0 40 FHAB Cn1cc(Br)cc(NC(=O)c2ccc(C(C)(C)C)cc2)c1=O 75107376 YUALRISZQKUBIY-UHFFFAOYSA-N 363.255 3.698 0 40 FHAB CCOc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1 408585483 FRQPTBRLZGJEDP-UHFFFAOYSA-N 363.207 3.888 0 40 FHAB COCCCN1C(=O)S/C(=C/c2cccn2-c2ccc(C)cc2)C1=O 409229845 AJHLJYBIQKVESK-GHRIWEEISA-N 356.447 3.859 0 40 FHAB O=C(NC1CC1)[C@@]1(Cc2ccc(-c3ccccc3F)cc2)CCCNC1 72391894 RAWWNOCHZBDVGJ-JOCHJYFZSA-N 352.453 3.684 0 40 FHAB O=C(NC[C@@H](O)C1CCCCC1)c1cc(Br)ccc1Cl 69494987 BPGBEHBFNHAOIT-CQSZACIVSA-N 360.679 3.774 0 40 FHAB c1ccc(CCNc2nc(NCc3ccccc3)c3nccnc3n2)cc1 31820213 CMERKXCTGJZTMY-UHFFFAOYSA-N 356.433 3.687 0 40 FHAB Cc1cc([C@H]2CCCCN2C(=O)c2ccccc2)cnc1N1CCOCC1 72219377 YHIRVGCMNKANKL-HXUWFJFHSA-N 365.477 3.594 0 40 FHAB Cc1c2ccc(NC(=O)N3Cc4ccccc4O[C@H](C)C3)cc2nn1C 563787475 JTBHBNRAFXSVLJ-CYBMUJFWSA-N 350.422 3.697 0 40 FHAB C[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc2c(c1)OCCO2 45904031 FDGQRRNQIVSATP-QWHCGFSZSA-N 361.825 3.756 0 40 FHAB COc1cc2c(cc1S(=O)(=O)NC[C@H](C)c1ccccc1)CCCC2 225137198 XRXVZZXXNKHBET-HNNXBMFYSA-N 359.491 3.656 0 40 FHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCc1ccccc1 225700804 MXHQCUDUULSYHX-NRFANRHFSA-N 366.505 3.951 0 40 FHAB CC[C@H](NC(=S)Nc1ccc(OC)nc1)c1ccc(OC)c(OC)c1 225721718 GNIDKRHRAGEWOJ-AWEZNQCLSA-N 361.467 3.545 0 40 FHAB C[C@@H]1CCCN(c2ccc(NC(=S)NCc3ccc(F)cc3)cn2)C1 223947531 IAUDBDQIDJVZQS-CQSZACIVSA-N 358.486 3.944 0 40 FHAB CC(C)(C)OC(=O)N1CCC(COc2cc(F)ccc2C(=O)O)CC1 575444448 VHIHPTXRZXVJRV-UHFFFAOYSA-N 353.390 3.550 0 40 FHAB Cc1cccc(OCC(=O)Nc2cc(C)c(O)c(Br)c2)c1 226243025 DVKWUUALFSGAPV-UHFFFAOYSA-N 350.212 3.789 0 40 FHAB Cc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222749049 OQKSPDIPBFGRAQ-SFHVURJKSA-N 366.505 3.870 0 40 FHAB COc1ccc(O[C@@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)cc1 224150874 GBOHQYQTYPAFME-AWEZNQCLSA-N 363.841 3.620 0 40 FHAB CC(C)n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1C[C@@H]1CCCO1 223316472 DENGVJWHGYTDPE-SNRMKQJTSA-N 370.522 3.616 0 40 FHAB CCS(=O)(=O)[C@](C)(Br)C(=O)c1ccc(Cl)cc1Cl 96518648 HPTUPYKFLWGZAI-NSHDSACASA-N 374.083 3.722 0 40 FHAB c1ccc2ncc(CN3CCOC[C@H]3c3nc(-c4ccncc4)c[nH]3)cc2c1 96112666 WUDDRJMHFRMHPY-NRFANRHFSA-N 371.444 3.593 0 40 FHAB biogenic,in-vitro CC(C)(C)c1ncc(C(=O)N2CCN(C3CC3)c3ccc(F)cc32)cn1 585083856 CQYZIMTZZADSQU-UHFFFAOYSA-N 354.429 3.542 0 40 FHAB OC1(c2cccc(Cl)c2)CCC(NCc2cnc3n2CCCC3)CC1 585081454 MVPGTHVWFGTHSL-UHFFFAOYSA-N 359.901 3.793 0 40 FHAB O=C(c1ccccc1F)N1CCC[C@H]1c1ccc(CN2CCCC2)cn1 257202005 AKBMXKYDWADSBE-FQEVSTJZSA-N 353.441 3.794 0 40 FHAB CC(C)(C)C(=O)N1CCC[C@H](c2cncc(-c3cccc(C(=O)O)c3)n2)C1 257297114 RFXCSCNUXHDIFP-INIZCTEOSA-N 367.449 3.594 0 40 FHAB Cc1nc(-c2nccn2C)cc([C@H]2CCCCN2C(=O)c2cccs2)n1 257311497 UJTAYBYRZJYROJ-MRXNPFEDSA-N 367.478 3.614 0 40 FHAB CO[C@H](C(=O)Nc1ccc(C)cc1-c1nc2ccccc2[nH]1)[C@H]1CCOC1 622789559 SIBIDUPLXIWKIM-LIRRHRJNSA-N 365.433 3.528 0 40 FHAB CC[C@]1(C)Oc2ccc(NC(=O)c3cc(C(F)(F)F)cnc3O)cc2O1 635838212 OLHFQTCEQXHGBK-MRXNPFEDSA-N 368.311 3.956 0 40 FHAB CC(C)[C@@H](c1nc(-c2ccc(CN)cc2)no1)N1Cc2ccccc2C1=O 656560900 LOQOHWVLQXSBJE-SFHVURJKSA-N 362.433 3.548 0 40 FHAB Cc1ccc(Cl)c(S(=O)(=O)N2CCCO[C@@H](c3ccccc3)C2)c1 677960273 DWUZFJJDWPRKFK-QGZVFWFLSA-N 365.882 3.801 0 40 FHAB CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1cccs1)C2 585107165 QIPYVURKFUGGEH-HXUWFJFHSA-N 364.474 3.515 0 40 FHAB CC[C@@]1(C)Cc2ccccc2-c2nc(NN)n(CCc3ccccc3)c(=O)c21 5119095 XFCUFKXBYCLIKL-QHCPKHFHSA-N 374.488 3.662 0 40 FHAB Cc1nc2ccc(C(=O)N(C)Cc3nc4cc(Cl)ccc4[nH]3)cc2[nH]1 12147533 BUNYTNXEFCQBOZ-UHFFFAOYSA-N 353.813 3.673 0 40 FHAB CCOc1cc(CN2CCc3sccc3[C@H]2CC)ccc1OCC(N)=O 12364221 MCJVLNQHAYPOOD-MRXNPFEDSA-N 374.506 3.520 0 40 FHAB Cc1ccc(-c2csc(NC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)n2)cc1 12932870 JKXZOEDDVLWJNK-KBXCAEBGSA-N 373.503 3.511 0 40 FHAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1snc2c(O)ncnc12 13564142 IZBJWEIAPNVHCN-UHFFFAOYSA-N 364.386 3.837 0 40 FHAB O=C(NCCSc1ccc(Cl)cc1)c1cccc(N2CCCC2=O)c1 18205734 NTODTGZWDRDTAY-UHFFFAOYSA-N 374.893 3.989 0 40 FHAB CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccn2)C1 19081974 JZQPUGTZEMYQPR-XLIONFOSSA-N 366.509 3.592 0 40 FHAB COc1cccc(CNc2ncc(-c3cc(C)no3)c([C@@H]3CCCO3)n2)c1 19122707 MYADRKDRSQFTBE-KRWDZBQOSA-N 366.421 3.912 0 40 FHAB CC[C@@H](CN1CCOCC1)n1cncc1-c1[nH]c2ccc(C)cc2c1C 19719533 VNUPLDOOTDZYIY-KRWDZBQOSA-N 352.482 3.932 0 40 FHAB Cc1ccc2c(c1)OC1(CCN(Cc3cncn3C)CC1)[C@H]1CCCO[C@H]21 643251003 YDMIHGGWBRLVGE-PZJWPPBQSA-N 367.493 3.623 0 40 FHAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(Cc2cccc(Cl)c2)C1=O 5797593 VTTRANVKHVOYOU-IBGZPJMESA-N 358.825 3.706 0 40 FHAB S=C(Nc1cccc(I)c1)NC1CCCCC1 3413275 BCXKWLIGHWEZEL-UHFFFAOYSA-N 360.264 3.910 0 40 FHAB CSc1ccccc1NC(=O)N1CC[C@@H]2C[C@]21C(=O)N1CCC(C)CC1 2056225214 INRYCRSPEFVFSD-FOIQADDNSA-N 373.522 3.663 0 40 FHAB Cc1ccc(-c2csc(NC(=O)c3ccc(S(C)(=O)=O)cc3)n2)cc1 4518004 BYVUAPVZFQVTFL-UHFFFAOYSA-N 372.471 3.774 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)N1CCn2cccc2[C@H]1c1ccccc1 4854205 SDOOSHNYBVBFCV-HXUWFJFHSA-N 361.401 3.854 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)c1 5187303 GPQSZGIDSLYHHL-UHFFFAOYSA-N 374.418 3.583 0 40 FHAB Cc1ccc(OCC2CCN(C(=O)c3cc(F)cc(Cl)c3)CC2)nn1 1775969469 TVDKGVALLHMZLZ-UHFFFAOYSA-N 363.820 3.509 0 40 FHAB Cc1cc(N2C[C@H]3CN(Cc4ccc(Cl)c(Cl)c4)C[C@@H]3C2)ncn1 2086887035 RZPORUGFXCWIBQ-HUUCEWRRSA-N 363.292 3.660 0 40 FHAB CC1=C(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)C=C2C=CC=C[C@@H]2O1 4000097 JXSGLNRZTNLMMK-UTXUYHSBSA-N 372.468 3.892 0 40 FHAB biogenic C[C@H](c1ccccc1)N1C[C@H](C(=O)N(C)c2cc(F)ccc2F)CC1=O 76735081 HXDXPEZZVYWJMC-UKRRQHHQSA-N 358.388 3.537 0 40 FHAB CCOc1ccc(-c2noc(CNc3ccc(F)c(NC(C)=O)c3)n2)cc1 40071585 NQGOEWQXXNYXOO-UHFFFAOYSA-N 370.384 3.845 0 40 FHAB C[C@@H]1CCCCN1C(=O)CN1CCC(C(=O)c2ccc(Cl)cc2)CC1 50071761 HVRJZDHJZQNAEV-OAHLLOKOSA-N 362.901 3.636 0 40 FHAB Cc1cc(C)cc(NCCC(=O)NC[C@@H](C)N2CCc3ccccc32)c1 40152809 CXJWSZNPZXYCGQ-GOSISDBHSA-N 351.494 3.673 0 40 FHAB COc1ccc(CCN2COc3ccc4c(C)c(C)c(=O)oc4c3C2)cc1 20403862 ZHFOXNDEHVSDTQ-UHFFFAOYSA-N 365.429 3.813 0 40 FHAB O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc2nccnc2c1 32899253 QWYPEAAZSCSRPD-UHFFFAOYSA-N 361.323 3.501 0 40 FHAB CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC)cc1OC)NCC2 719041 IWFAKKQEWNYNRB-NRFANRHFSA-N 357.450 3.736 0 40 FHAB biogenic,in-vitro CN(Cc1ccccc1)C(=O)C1CCN(CCCc2ccccc2)CC1 785800 VAWARZYJICFZJW-UHFFFAOYSA-N 350.506 3.990 0 40 FHAB COc1ccc(NC(=O)CSc2nsc3nc4ccccc4n23)cc1 1468123 AFNXECAQBNSGGY-UHFFFAOYSA-N 370.459 3.683 0 40 FHAB CS(=O)(=O)Nc1cc2c(cc1Sc1ccc(F)cc1F)C(=O)CC2 1887701 HDUWKQUHMUSICC-UHFFFAOYSA-N 369.414 3.616 0 40 FHAB COc1cc2c(cc1OC)CN(Cc1ncc(-c3ccccc3)o1)CC2 2130040 RXUAFHUBLYEMSI-UHFFFAOYSA-N 350.418 3.917 0 40 FHAB biogenic CC[C@@H](C)NC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc12 2221023 BFOYPPXAEBJJGI-CQSZACIVSA-N 373.460 3.993 0 40 FHAB COCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 2616546 ZFTUZWFNMVJAHR-UHFFFAOYSA-N 350.418 3.677 0 40 FHAB Cc1cc(C)n2c(SCC(=O)Nc3c(C)cccc3C(C)C)nnc2n1 3224040 RHNXKEWPRPWRID-UHFFFAOYSA-N 369.494 3.904 0 40 FHAB COc1cccc(NC(=O)[C@@H](OC(=O)c2ccco2)c2ccccc2)c1 3224105 NNOCIAUTIDIDAI-SFHVURJKSA-N 351.358 3.825 0 40 FHAB O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)c1 3349137 UYNSUGAJQOSUAI-UHFFFAOYSA-N 369.398 3.978 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)OCc3nc4ccccc4s3)CC2=O)cc1 3372939 OISHBZHDNCIIDQ-CQSZACIVSA-N 366.442 3.701 0 40 FHAB Cc1ccc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 3597981 XGKWCSIWYLXTQW-UHFFFAOYSA-N 372.490 3.730 0 40 FHAB CCCCN1C(=O)[C@](O)(c2ccccc2)c2cc(Br)ccc21 4108722 FGIPKQMWOUMGRH-SFHVURJKSA-N 360.251 3.832 0 40 FHAB Cc1cc(C)cc(OCC(=O)N2N=C(CC(C)C)C[C@@]2(O)C(F)(F)F)c1 4163526 HXASGRQPYOAXDE-QGZVFWFLSA-N 372.387 3.568 0 40 FHAB CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccccc1Cl 4321673 WIGUDZOANXRNPN-QMTHXVAHSA-N 364.854 3.552 0 40 FHAB COc1ccccc1N1CCN(C(=O)Nc2c[nH]c3ccccc23)CC1 5265498 YZHFRBKFMHAMAL-UHFFFAOYSA-N 350.422 3.531 0 40 FHAB Cc1ccc(OCCNC(=O)COc2ccc(Cl)cc2Cl)cc1 5814541 QVDRWXVAOADHHC-UHFFFAOYSA-N 354.233 3.876 0 40 FHAB CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccc(OC)cc1 5853435 SJBCAYZXNQYHDY-UHFFFAOYSA-N 374.510 3.515 0 40 FHAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1ccc(F)cc1 6305773 RVNRQBJTGFSPPV-UHFFFAOYSA-N 357.816 3.962 0 40 FHAB CC(C)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 6326384 IJXYJWCZIWPCEY-UHFFFAOYSA-N 366.870 3.527 0 40 FHAB O=C(COc1ccccc1F)NCCSCc1ccc(Cl)cc1 6540835 RXTCJBRMGKCYRH-UHFFFAOYSA-N 353.846 3.908 0 40 FHAB CC(C)n1nc(C(=O)Nc2nc3c(s2)CCCC3)c2ccccc2c1=O 6547635 AEXHRDHNCZIISD-UHFFFAOYSA-N 368.462 3.565 0 40 FHAB CCc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)cc1 6604198 XKOSZZNDFYXDMJ-FQEVSTJZSA-N 370.836 3.552 0 40 FHAB Cc1cccc(Nc2nnc(SCC(=O)N3CCC[C@H](C)C3)s2)c1 6784985 UKQUFZCHQFOPHU-ZDUSSCGKSA-N 362.524 3.941 0 40 FHAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1-n1cnnn1 7306464 ZUCHWQBFMIALFC-UHFFFAOYSA-N 367.718 3.587 0 40 FHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc(F)cc2)CC1=O 7928194 YBVWXGAVKZOLDC-INIZCTEOSA-N 354.425 3.942 0 40 FHAB Cc1ccc(C)c2sc(NC(=S)NC(=O)Cc3ccccc3)nc12 9140743 GTRYDJRPYOQQOV-UHFFFAOYSA-N 355.488 3.969 0 40 FHAB CC(C)CN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(F)cc1 9242872 CQXQIZKOCJOAFH-UHFFFAOYSA-N 352.409 3.966 0 40 FHAB Cc1ccc(CSc2nnc(NC(=O)c3snnc3C)s2)cc1 9250908 FTLQRYGDUZQHPD-UHFFFAOYSA-N 363.493 3.551 0 40 FHAB O=C(CCc1nc(-c2cccs2)no1)Nc1cccc2cccnc12 9534690 PBVBNWAEGHWCRG-UHFFFAOYSA-N 350.403 3.918 0 40 FHAB COc1ccc(NC(=O)CCn2c(-c3ccc(F)cc3)n[nH]c2=S)cc1 9604231 LMZOPDKWICWCBB-UHFFFAOYSA-N 372.425 3.784 0 40 FHAB CCCCOCCCNC(=O)CC(C)(C)CC(=O)N1CCCCCC1 9805352 UJOSJGYFQYTDSK-UHFFFAOYSA-N 354.535 3.518 0 40 FHAB CC(=O)C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2c(C)ccc(C)c21 9872719 VIZGXLGUGRYTPG-FQEVSTJZSA-N 357.837 3.670 0 40 FHAB C[C@H](Sc1nc(C2CC2)nn1-c1ccccc1)C(=O)NCc1ccco1 10028933 BKRDQFFMPUGSBI-ZDUSSCGKSA-N 368.462 3.535 0 40 FHAB COc1cc(OC)c(OC)cc1CNC(=O)Nc1nc2ccccc2s1 10278095 JBJXRCXWSSKWEW-UHFFFAOYSA-N 373.434 3.644 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1cnn(-c2ccccc2)c1 10819330 WSAMAZBEUQYJBW-UHFFFAOYSA-N 369.852 4.000 0 40 FHAB COc1ccc(NC(=O)c2cnc3c(Cl)cccc3c2O)c(OC)c1 12322055 PEHIOIIZVGQLSQ-UHFFFAOYSA-N 358.781 3.863 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCC(C)C)cc2)cc1C 12605416 SSTAZYMJZXZGNG-UHFFFAOYSA-N 374.506 3.880 0 40 FHAB Cc1cc(C)c2c([C@H]3CCCN3C(=O)c3ccc(F)cc3)nn(C)c2n1 12671149 JAHWLKGFNSBKBQ-MRXNPFEDSA-N 352.413 3.702 0 40 FHAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(C)Cc1cccc(Cl)c1 12848963 SCSWYJOSSXYCJA-ZDUSSCGKSA-N 360.841 3.570 0 40 FHAB COc1ccc(C(C)=O)cc1CN(C)CC(=O)Nc1ccc(Cl)cc1 13061626 DMLZJUJJGGVCAX-UHFFFAOYSA-N 360.841 3.622 0 40 FHAB Cc1ccc(NC(=O)C[C@@H](C(=O)O)c2ccccc2)c(Br)c1 13248966 XDPVEMBIUAJFGX-CYBMUJFWSA-N 362.223 3.955 0 40 FHAB O=S(=O)(NCC1(c2ccccc2)CC1)c1ccc(OC(F)(F)F)cc1 14098519 BBNSCGBUIZREDV-UHFFFAOYSA-N 371.380 3.595 0 40 FHAB COc1c(F)c(F)c(C(=O)NC2C3CC4CC(C3)CC2C4)c(F)c1F 14258545 YEPDLFGGWPIHNV-UHFFFAOYSA-N 357.347 3.806 0 40 FHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)C1 15434099 WOAJEAHNEXZLSY-HUUCEWRRSA-N 362.429 3.605 0 40 FHAB O=C(NC1CCCCCC1)c1ccc(CS(=O)(=O)c2ccccc2)o1 15617586 GUJCDBAIVVVPRT-UHFFFAOYSA-N 361.463 3.706 0 40 FHAB Cc1ccc(-c2noc([C@H]3CCN3C(=O)CCc3c(C)noc3C)n2)s1 19217525 QZINQIOXNATPDK-CQSZACIVSA-N 372.450 3.618 0 40 FHAB Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@H](c3cc4cccnc4[nH]3)C2)n1 19572822 KECNOWFBKHMMCF-AEFFLSMTSA-N 365.481 3.734 0 40 FHAB O[C@H](CN1CCN(c2ccccc2F)CC1)c1ccc(C(F)(F)F)cc1 20218806 ATWBCLBKGGRUAZ-GOSISDBHSA-N 368.374 3.700 0 40 FHAB COc1ccccc1CN(C)C(=O)c1c[nH]c(=S)n1-c1ccccc1 21922881 UZQCCXXIJXHPQC-UHFFFAOYSA-N 353.447 3.816 0 40 FHAB CCN1CCN([C@H](C(=O)Nc2cc(C)cc(C)c2)c2ccccc2)CC1 22038714 ABQGUXZTTMCWSY-NRFANRHFSA-N 351.494 3.621 0 40 FHAB CN(CN1C(=O)c2ccccc2C1=O)C(c1ccccc1)c1ccccc1 22419577 DHLDUXWHKXQHJI-UHFFFAOYSA-N 356.425 3.962 0 40 FHAB C[C@H](Sc1nnc(N)s1)C(=O)N[C@@H](C)c1cccc2ccccc12 22738348 ZRTKDCAXJOJWFM-QWRGUYRKSA-N 358.492 3.632 0 40 FHAB C[C@H](Sc1ccc(Cl)nn1)C(=O)NC12CC3CC(CC(C3)C1)C2 23203676 XWQLIVXUYUEVQI-DKHPWKACSA-N 351.903 3.696 0 40 FHAB CCOC(=O)N1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1 24064330 BPNHPGYKHJGINT-UHFFFAOYSA-N 352.434 3.704 0 40 FHAB Cc1cc(C)c2oc(C(=O)Nc3onc4c3C[C@H](C)CC4)cc(=O)c2c1 27748320 NDLUWENFUDTJKI-SNVBAGLBSA-N 352.390 3.775 0 40 FHAB O=C(Nc1nnc(-c2ccncc2)s1)c1ccc(C(F)(F)F)cc1 28221444 DPUOCYRBKMKZKO-UHFFFAOYSA-N 350.325 3.871 0 40 FHAB O=C(O)c1nc(SCc2ccc(Cl)cc2)ncc1Br 28291916 XRDLPXCUWGKCQU-UHFFFAOYSA-N 359.632 3.883 0 40 FHAB NC(=O)c1cc(-c2csc(NC(=O)c3cccc4ccccc34)n2)c[nH]1 29872343 SIDNLERXQJXYHD-UHFFFAOYSA-N 362.414 3.643 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OC[C@@H]3CCCO3)cc12 32666671 PYTYESFAKHJRED-AWEZNQCLSA-N 360.410 3.870 0 40 FHAB Clc1ccc2c(NC[C@@H](c3ccccc3)N3CCOCC3)ncnc2c1 32770037 PSBDLKXNWAGFJX-IBGZPJMESA-N 368.868 3.769 0 40 FHAB COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(NC(=O)C2CC2)cc1 32796597 YRUCKRCTTADNSH-CQSZACIVSA-N 352.434 3.877 0 40 FHAB CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 32842490 CVRYGHOJOBWDNV-INIZCTEOSA-N 361.829 3.764 0 40 FHAB Cc1cc(C)cc(NC(=O)Cc2n[nH]c(=S)n2Cc2ccccc2)c1 32843845 DDLPBWAUMOBDAD-UHFFFAOYSA-N 352.463 3.787 0 40 FHAB Cc1ccc(/C=C/c2nc(SCCC(=O)NC3CCCCC3)n[nH]2)o1 32893526 NNTUFNAIUUPIHA-MDZDMXLPSA-N 360.483 3.808 0 40 FHAB COc1cc(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)ccc1C 32911976 OADMTDBIVZXHHC-UHFFFAOYSA-N 367.371 3.649 0 40 FHAB O=C(CSCc1cccc(Cl)c1)Nc1ccc2c(c1)NC(=O)CO2 32988894 MECUOUGIBRUWGR-UHFFFAOYSA-N 362.838 3.543 0 40 FHAB CC(C)(CN1CCCCC1)NC(=O)c1cc(-c2ccc(Cl)cc2)on1 35316991 PINLRNDIDIVGDW-UHFFFAOYSA-N 361.873 3.989 0 40 FHAB COc1ccc(-c2nnc3sc(Cc4noc5ccccc45)nn23)cc1 36470949 QOFNBPQKDUERNS-UHFFFAOYSA-N 363.402 3.593 0 40 FHAB CC(=O)Nc1ccc(C2=NN=C(N[C@@H]3CCC[C@H](C)[C@@H]3C)SC2)cc1 36490178 FZNMPBGZFXVHTB-GDZNZVCISA-N 358.511 3.866 0 40 FHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)nc1 38556903 KIBAAIGVKGGEON-IRXDYDNUSA-N 373.522 3.779 0 40 FHAB Cc1ccc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)cn1 40040020 HDPRHSZWCRNSPT-UHFFFAOYSA-N 368.824 3.898 0 40 FHAB COc1ccccc1CNC(=O)Cn1ccc2c(Br)cccc21 40287412 ICFZGCMSTHBNEH-UHFFFAOYSA-N 373.250 3.729 0 40 FHAB COc1ccc(OC)c(CCC(=O)Nc2nc(-c3ccccc3)ns2)c1 42090519 VMBDYLKOJDHDSY-UHFFFAOYSA-N 369.446 3.794 0 40 FHAB Fc1ccc(-c2nnc(SC[C@H]3CCCO3)n2C[C@H]2CCCO2)cc1 44171772 ZXXDLBLSOZSJOJ-HZPDHXFCSA-N 363.458 3.534 0 40 FHAB CCOC(=O)c1ccc(Nc2cc(N)nc(-c3ccccc3F)n2)cc1 49467865 FGLAIAYAMPBLIV-UHFFFAOYSA-N 352.369 3.785 0 40 FHAB CCOc1ccc(CCC(=O)Nc2ccccc2CN(C)C(C)=O)cc1 55226615 LDQRKBHOYZEQKA-UHFFFAOYSA-N 354.450 3.635 0 40 FHAB C[C@H](Nc1cccc(CN2CCOC2=O)c1)C(=O)Nc1ccccc1Cl 56160934 BGRMIMDOZMMZEI-ZDUSSCGKSA-N 373.840 3.731 0 40 FHAB O=C(NCc1ccc(F)cc1)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 56358370 HVTCVUVQTQCGQX-IBGZPJMESA-N 356.397 3.547 0 40 FHAB CCc1cc2c(CN(C)CCOc3ccccc3)cc(=O)oc2cc1O 57438869 MXBLDZAVPGPNBU-UHFFFAOYSA-N 353.418 3.572 0 40 FHAB O=C(O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 58038179 VGWOABJDCVHEQG-UHFFFAOYSA-N 359.613 3.657 0 40 FHAB in-vitro Cc1cc(CN2CCSCC2)ccc1NC(=O)COc1ccc(F)cc1 58153222 WARVGDITLSRRSR-UHFFFAOYSA-N 374.481 3.700 0 40 FHAB CC(=O)c1c(C)cc(C)c(CSc2nc(C)c(CC(N)=O)s2)c1C 58370064 FRPSQXWGGDMZJQ-UHFFFAOYSA-N 362.520 3.899 0 40 FHAB C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2F)C1 58424713 NJEPBOXJFPPUAQ-HZSPNIEDSA-N 374.909 3.505 0 40 FHAB CCCCn1c(S(=O)(=O)Cc2cccc(OC(F)F)c2)nc(C)c1C 65389325 AZFJMYUAVVIHEZ-UHFFFAOYSA-N 372.437 3.875 0 40 FHAB O=c1c2sccc2n(CCc2ccccc2)c(=O)n1-c1ccccc1F 67258179 TUJCVAYEQAUQRP-UHFFFAOYSA-N 366.417 3.596 0 40 FHAB CSc1nc(Cl)cc(OC2CCN(C(=O)OC(C)(C)C)CC2)n1 72203148 LZHWDEKWNDMGCP-UHFFFAOYSA-N 359.879 3.630 0 40 FHAB C[C@@]1(c2ccccc2)C[C@@H]1Nc1nn2c(=O)cc(-c3ccccc3)nc2s1 72302131 HHWYGGJHVVACMO-UWJYYQICSA-N 374.469 3.960 0 40 FHAB Cc1nc(=O)c2cc(Cl)ccc2n1C1=CCN(Cc2cccnc2)CC1 72348312 ZWKWVJJXLNAXOB-UHFFFAOYSA-N 366.852 3.500 0 40 FHAB Cc1nc(C(=O)N2CCC[C@H]2c2cncc(Oc3ccccc3)n2)co1 72384512 JVVIBAASBDHAND-KRWDZBQOSA-N 350.378 3.543 0 40 FHAB CN(C)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1F 83854323 VAESNNOQFSVWNO-RBUKOAKNSA-N 360.404 3.681 0 40 FHAB Cc1cc(CN2CCCc3cc(S(C)(=O)=O)ccc32)c2ccccc2n1 84083439 OCGRNKQZXSKYCJ-UHFFFAOYSA-N 366.486 3.900 0 40 FHAB C[C@H]1CN(C(=O)NCCc2c(F)cccc2F)C[C@H](c2ccccc2)O1 84714046 XHDOAFRSCMJRFB-IFXJQAMLSA-N 360.404 3.679 0 40 FHAB Cn1c(S)nnc1-c1cncc(NC(=O)c2ccc3ccccc3c2)c1 89741341 BXCGFXCZHKBTBX-UHFFFAOYSA-N 361.430 3.571 0 40 FHAB c1ccc(COc2cncc(NCc3cnn(Cc4ccccc4)c3)n2)cc1 95409845 FTATZSKPELXJJN-UHFFFAOYSA-N 371.444 3.913 0 40 FHAB COc1ccc(Cl)cc1NC(=O)NC[C@@H](OC)c1cccc(F)c1 96388894 XFXHKYUMHOMWOM-MRXNPFEDSA-N 352.793 3.997 0 40 FHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1nc(N3CCCC3)ncc1Cl)C2 102152658 YSLNVQCPTRUSRV-CFZJUORYSA-N 362.905 3.675 0 40 FHAB Cc1ccc(C2=NN[C@@H](c3c(C)nn(-c4ccccc4)c3O)S2)cc1 103613141 YYQSOEJHPVKTAK-GOSISDBHSA-N 350.447 3.892 0 40 FHAB CCc1noc(-c2ccc(CCNCc3ccc(OC)c(F)c3)cc2)n1 105491534 NXMGCLZJJXIZIA-UHFFFAOYSA-N 355.413 3.779 0 40 FHAB CCOC(=O)CN(C(=O)c1coc(-c2ccccc2)n1)c1ccccc1F 152440504 YDZJRGCZTABKAR-UHFFFAOYSA-N 368.364 3.691 0 40 FHAB Cc1ccccc1OCC(=O)NCc1ccc([C@H](O)c2ccsc2)s1 207964995 QWVVNVCNSMHFQK-LJQANCHMSA-N 373.499 3.895 0 40 FHAB CN(Cc1nc(-c2ccccc2)no1)C(=O)CSCc1ccc(F)cc1 219263937 TXWKLUPPMFKATK-UHFFFAOYSA-N 371.437 3.768 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1nc(-c2ccc(C)cc2)no1 219328699 JUVSTVWIIGABKO-QGZVFWFLSA-N 369.396 3.658 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)NCCCc1ccc(Cl)cc1 222856367 SOKVIEBLICWYHS-UHFFFAOYSA-N 374.289 3.913 0 40 FHAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 222863333 DJPCNLXNFXNPAH-OALUTQOASA-N 363.490 3.650 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 223014310 DRUTWQHGHNKXRX-IBGZPJMESA-N 370.518 3.641 0 40 FHAB COc1ccc(F)cc1S(=O)(=O)NCc1ccc(C(C)(C)C)cc1 223753171 MHJSHRHFMVAYSK-UHFFFAOYSA-N 351.443 3.610 0 40 FHAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CC 224064686 QVMCBKQNYBJZIW-OAQYLSRUSA-N 366.505 3.871 0 40 FHAB CCOc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1C 224084046 HLDOJDCQEUFNSG-UHFFFAOYSA-N 351.406 3.716 0 40 FHAB Cc1ccc(CN(C(=O)Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)cc1 225534964 LLWYCSFNTFVBEY-QGZVFWFLSA-N 370.468 3.619 0 40 FHAB O=C1CC2(CCN(C(=O)Cc3ccccc3)CC2)Oc2c(Cl)cccc21 225828080 RVPQCVMRRCOQAW-UHFFFAOYSA-N 369.848 3.909 0 40 FHAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1C(=O)N(C)C 225959757 NDRMSASOGBKUAE-UHFFFAOYSA-N 372.852 3.721 0 40 FHAB COc1cc([C@@H]2Oc3c(OC)cc([C@H](OC)[C@H](C)O)cc3[C@H]2C)ccc1O 230076294 DHRVKFSLKMAPEL-BINDOVRGSA-N 374.433 3.715 0 40 FHAB endogenous,in-man CNC(=O)c1cc([C@H]2CC[C@H](CNC(=O)C(C)C)CC2)nc2ccccc12 257199966 ABMIEXOJXRHRKW-WKILWMFISA-N 367.493 3.640 0 40 FHAB Cc1cc(N2C[C@@]3(F)CN(CCC(C)(C)C)C[C@@]3(F)C2=O)c(C)s1 306132669 LOUXEXWKUHRJBU-ZWKOTPCHSA-N 356.482 3.880 0 40 FHAB CCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)cc1 408583305 HFSNLDRUBRMHCY-UHFFFAOYSA-N 374.506 3.744 0 40 FHAB Cc1cc(/C=C2/NC(=S)NC2=O)cc(C)c1OCc1ccc(Cl)cc1 408854092 XIFOGEWUCHVFGG-CXUHLZMHSA-N 372.877 3.881 0 40 FHAB COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccccc2N2CCCC2=O)c1 517358322 ZGULAECHGJNTPR-DLBZAZTESA-N 350.418 3.564 0 40 FHAB CC(C)CC1(C)CCN(C(=O)NCCc2cccc(C(=O)N(C)C)c2)CC1 585083831 YXUAESMETPSDJE-UHFFFAOYSA-N 373.541 3.789 0 40 FHAB C[C@@](CO)(NCc1cc(O)ccc1Cl)c1ccc(Br)cc1 625425208 MVJANWUCBXNJLD-INIZCTEOSA-N 370.674 3.805 0 40 FHAB CC(=O)N1CCCCCCN(C)C(=O)c2ccccc2O[C@H]2CCCC[C@H]21 643582346 UAPTYJQWDAGWPD-CTNGQTDRSA-N 372.509 3.871 0 40 FHAB CCC(C)(C)c1n[nH]c(=NC2CCN(Cc3ccc(F)c(F)c3)CC2)o1 647857925 SZASZGIBHVBATH-UHFFFAOYSA-N 364.440 3.534 0 40 FHAB COCC1(C2CCC2)CN(C(=O)Nc2ccc(F)cc2-c2cnn(C)c2)C1 666972079 OZUKPYXGGOHEHB-UHFFFAOYSA-N 372.444 3.507 0 40 FHAB CN(CC/C=C1/C=c2ccccc2=Cc2ccccc21)C(=O)OC(C)(C)C 1570003184 KPOXSWYWNGZBAN-BKUYFWCQSA-N 361.485 3.950 0 40 FHAB CC1(C)C[C@]2(CCCN2C(=O)c2ccccn2)CN1c1ccc(F)cc1 1615120123 KQTVOVCGRKAKCZ-OAQYLSRUSA-N 353.441 3.884 0 40 FHAB Cc1cccc(-c2nsc(NCc3ccccc3CS(C)(=O)=O)n2)c1 1642441803 QGKJTOFTNBGOTB-UHFFFAOYSA-N 373.503 3.670 0 40 FHAB O=C(N[C@H]1C[C@@H]1Nc1nc(C(F)(F)F)nc2ccccc12)c1ccccc1 1775988478 HPZYSGBPNNKULF-GJZGRUSLSA-N 372.350 3.631 0 40 FHAB CCc1ccc(C(=O)CSc2nncn2-c2ccccc2OC)cc1 2627110 MHUUZJOZUBKXBU-UHFFFAOYSA-N 353.447 3.813 0 40 FHAB CCCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1cccnc1 1362290 GAWOIZBRMTVDTJ-HOCLYGCPSA-N 373.526 3.537 0 40 FHAB CCOC(=O)[C@H](c1ccc(OC)cc1)[C@@H](C(=O)OCC)c1ccccc1 1628156 QTZVCDORJRLVES-RBUKOAKNSA-N 356.418 3.689 0 40 FHAB COc1ccc(C)cc1NC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 103150628 GAOAWSDBQPPQIH-RKAKKKFESA-N 366.465 3.529 0 40 FHAB Cc1ccc(CNC(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)cc1 2640368 HNZVSBGHYGDKLJ-HXUWFJFHSA-N 352.478 3.764 0 40 FHAB CC(=O)c1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cc1 2739680 CGWSETWIBSHFDS-UHFFFAOYSA-N 351.328 3.621 0 40 FHAB CC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2C)cc1 674437 PNBHMBBXVFRULI-UHFFFAOYSA-N 362.223 3.978 0 40 FHAB CC[C@@H](C)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12 4085273 HZPFSRUNQYWHBA-XFPJRNFQSA-N 373.456 3.553 0 40 FHAB biogenic CCC[C@@H](C)c1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)s1 692019 QKGCHEGUPZLNHF-ZIAGYGMSSA-N 372.494 3.742 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1 627874 NQQLBLWSTNWVML-UHFFFAOYSA-N 358.869 3.846 0 40 FHAB O=C(COC(=O)c1ccccc1Nc1ccccc1)NCCc1ccccc1 6896617 HDEMPWNZRZMOOO-UHFFFAOYSA-N 374.440 3.946 0 40 FHAB CCOc1ccc(CNC(=S)Nc2cccc(OC)c2)cc1OCC 6935379 GIGJSSLHDFBHJM-UHFFFAOYSA-N 360.479 3.979 0 40 FHAB CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1-c1ccco1 813735 DNRYSSVTUCLWDU-UHFFFAOYSA-N 360.414 3.736 0 40 FHAB O=C(Cc1coc(-c2ccccc2)n1)Nc1ccccc1N1CCCC1=O 8327808 JFFCEZLDULVLLL-UHFFFAOYSA-N 361.401 3.650 0 40 FHAB CCc1ccccc1NC(=O)c1ccccc1NC(=O)CCCC(=O)O 8434593 LKTMBHQLUDITBO-UHFFFAOYSA-N 354.406 3.695 0 40 FHAB CCOCCCNc1nnc(SCC(=O)c2ccc(F)c(F)c2)s1 23760887 JMCNSDXLQZIKBD-UHFFFAOYSA-N 373.450 3.630 0 40 FHAB COc1cccc(N2CCN(C(=O)/C=C/c3ccc([C@H]4C[C@H]4C)o3)CC2)c1 24576746 DQHOAZKSQLBPTC-UHLKUBKWSA-N 366.461 3.774 0 40 FHAB Cc1ccccc1CNC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364606 QFQMWMNNSSBUNV-IBGZPJMESA-N 358.441 3.831 0 40 FHAB COC(=O)c1ccccc1NC(=O)C1CCN(Cc2cccc(C)c2)CC1 9063002 QOURFIUZEAPMLU-UHFFFAOYSA-N 366.461 3.632 0 40 FHAB CCOC(=O)N1CCN(Cn2c(=S)sc3ccc(Cl)cc32)CC1 25157309 DQZLYGBQQUWQDE-UHFFFAOYSA-N 371.915 3.817 0 40 FHAB COc1ccc(NC(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1 1468044 YSYRKVVMYXMFBN-UHFFFAOYSA-N 361.898 3.868 0 40 FHAB Cc1ccc(NC(=O)COC(=O)c2ccc(-c3ccc(C=O)o3)cc2)cc1 1411714 VMRVWWYWKISHAL-UHFFFAOYSA-N 363.369 3.863 0 40 FHAB CCOc1ccc([C@H]2SC[C@H]3C(=O)N(c4ccccc4)C(=S)N32)cc1 1443751 MPDDKPHLUUHKJM-FUHWJXTLSA-N 370.499 3.833 0 40 FHAB O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(Cl)cc1F 25327306 WMIRCSHHQUNRCJ-UHFFFAOYSA-N 360.816 3.645 0 40 FHAB Cc1sc2c(c1C)CN(Cc1ccccn1)CN2C(=O)c1ccco1 54072991 FLURAYHUSVNZBQ-UHFFFAOYSA-N 353.447 3.973 0 40 FHAB CC[C@@H](c1nnnn1C1CCCCC1)N1CCN(c2ccccc2F)CC1 57669462 IANINCIXKHVBOD-SFHVURJKSA-N 372.492 3.591 0 40 FHAB CCCCc1oc2ccccc2c1CN(C)C(=O)C(=O)Nc1cc(C)on1 48026681 DANGZQAMFWSBGS-UHFFFAOYSA-N 369.421 3.669 0 40 FHAB O=C(Cc1cnn(-c2ccccc2)c1)N[C@H]1CCCC[C@H]1C(F)(F)F 58151937 LABXVJYEVJNPPE-CVEARBPZSA-N 351.372 3.652 0 40 FHAB COc1ccc(C)cc1C(=O)CSc1ccc(C(=O)N2CCCC2)cn1 58195322 SAWXPVYOKMMHDK-UHFFFAOYSA-N 370.474 3.610 0 40 FHAB CCN(c1ccc(C(=O)Nc2ccccc2C(C)C)cc1)S(C)(=O)=O 10008592 VNQYFOSISSTWFX-UHFFFAOYSA-N 360.479 3.848 0 40 FHAB O=C(C1CC1)N1CCN(Cc2c(-c3ccccc3)[nH]c3ccccc23)CC1 23990137 TXXNJYRZIBDUSZ-UHFFFAOYSA-N 359.473 3.889 0 40 FHAB Cc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1NS(C)(=O)=O 10315102 IYJDWPPJJNMRRV-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB Cc1ccc(-n2ncc(C(=O)NCc3ccccn3)c2C(F)(F)F)cc1 22990742 XRMQUIJSZDBRMR-UHFFFAOYSA-N 360.339 3.525 0 40 FHAB CN(CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)c1ccccc1 28411347 TWKLIXLNEMUJRZ-UHFFFAOYSA-N 356.425 3.969 0 40 FHAB COc1ccc(C(=O)COC(=O)c2ccc3ccccc3c2)c(OC)c1 3389340 OHFWKFIOFMMZSH-UHFFFAOYSA-N 350.370 3.897 0 40 FHAB CCc1cccc(CC)c1N(COC)C(=O)Cn1cnc2ccccc21 2276134 IDHIFYJRLHRZAN-UHFFFAOYSA-N 351.450 3.798 0 40 FHAB OC1=Nc2ccc(Br)cc2C(c2ccc(Cl)cc2)=N[C@@H]1O 2203735 JNRYGFQYBNCMGQ-OAHLLOKOSA-N 365.614 3.860 0 40 FHAB O=C(N[C@H]1COc2ccccc21)N1CCO[C@@H](c2ccc(Cl)cc2)C1 58575774 LAUVVIOHTRLRRG-FUHWJXTLSA-N 358.825 3.557 0 40 FHAB CCOc1ccc([C@@H](C)NC(=O)c2cccc(N3CCCC3=O)c2)cc1 11173419 RFGTXJUOKZQHQI-OAHLLOKOSA-N 352.434 3.703 0 40 FHAB c1ccc2oc(-c3nn4c(Cn5cnc6ccccc65)nnc4s3)cc2c1 2433686 MOYLTNARYJWBDM-UHFFFAOYSA-N 372.413 3.997 0 40 FHAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[C@H]1CC=CCC1 36719233 NJLPBFLCRZQXDT-LBPRGKRZSA-N 354.372 3.637 0 40 FHAB COC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(C(C)C)cc1 2503529 IMKSEEFHZBOXFX-WBMJQRKESA-N 358.463 3.632 0 40 FHAB Fc1ccc(-n2ncc3c(N4CCc5sccc5C4)ncnc32)cc1 12822195 HDFGFOKBEUALHK-UHFFFAOYSA-N 351.410 3.579 0 40 FHAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccccc2Br)[C@@H]1C 5059269 CLHVHCBOWZGBRI-JMSVASOKSA-N 368.271 3.547 0 40 FHAB COC(=O)[C@H](Sc1nnc(C)n1-c1cccc(C)c1)c1ccccc1 9154941 RNQYEZXFETUZRT-QGZVFWFLSA-N 353.447 3.891 0 40 FHAB Cc1cc(C(=O)O)ccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 14097288 HZRGKIMRJWTHBI-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB COc1ccc(OCC(=O)Nc2cc(-c3ccc(F)c(F)c3)no2)cc1 5483058 OQSPAURLASCFEK-UHFFFAOYSA-N 360.316 3.646 0 40 FHAB COc1ccc(-n2c(N)c(C(=O)NCc3ccccc3)sc2=S)cc1 4710451 USYIXBPYRUQUCQ-UHFFFAOYSA-N 371.487 3.789 0 40 FHAB CCOc1ccc(C(=O)OCC(=O)Nc2ccccc2CC)cc1OCC 5739683 CFRVPELGZYFIIC-UHFFFAOYSA-N 371.433 3.842 0 40 FHAB CCc1ccccc1NC(=O)CCC(=O)O[C@@H](C)C(=O)c1ccccc1 5878510 MSTDLDODQQUVDL-HNNXBMFYSA-N 353.418 3.782 0 40 FHAB Cn1cc(/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)c2ccccc21 4933329 OVLMEHMISWGELM-OQLLNIDSSA-N 372.446 3.556 0 40 FHAB CCOc1ncccc1C(=O)N[C@@H](CCSC)c1nc2ccccc2[nH]1 5902007 JZQWADUZXXIJGO-INIZCTEOSA-N 370.478 3.581 0 40 FHAB Cc1ccc(-n2cc(C(=O)NCc3ccc(F)cc3Cl)nn2)cc1C 67261899 DQIQDXCHGVHCRB-UHFFFAOYSA-N 358.804 3.607 0 40 FHAB Cc1c(C)c(C)c(C(=O)OCc2cc(=O)n3ccccc3n2)c(C)c1C 15350311 NPADKGYCKNKSQY-UHFFFAOYSA-N 350.418 3.594 0 40 FHAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CCOc1ccccc1Cl)C2=O 7004238 RXCZVBUCMBUYPA-DJJJIMSYSA-N 364.873 3.856 0 40 FHAB C[C@H](OC(=O)[C@H]1COc2ccccc2O1)C(=O)c1ccc(C(C)(C)C)cc1 7159323 JSAILPGWCXNFMD-IFXJQAMLSA-N 368.429 3.939 0 40 FHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1ccccc1Br 7487213 SZYLEROYWANGML-UHFFFAOYSA-N 372.266 3.708 0 40 FHAB O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1ccc2nccnc2c1 7442412 BNRREJAPHMSXTE-UHFFFAOYSA-N 366.764 3.690 0 40 FHAB COc1ccc(NC(=O)COC(=O)Cc2ccccc2Cl)cc1Cl 7535590 INHRQFFNCXOZSE-UHFFFAOYSA-N 368.216 3.726 0 40 FHAB O=C1N[C@H](c2ccc3c(c2)OCO3)Nc2scc(-c3ccccc3)c21 7660694 JTLSJISWXRVIQM-KRWDZBQOSA-N 350.399 3.998 0 40 FHAB CSc1ncc(C(=O)N[C@@H](C)c2ccccn2)n1-c1ccc(F)cc1 7979454 VUFFHKWXLWMNPF-LBPRGKRZSA-N 356.426 3.619 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H]1CCOc2ccccc21 7964754 IIXZAPCNUDEFFA-UXHICEINSA-N 362.429 3.591 0 40 FHAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cc2c(s1)CCCCC2 8303494 RVWFCERXFDHYGT-UHFFFAOYSA-N 360.454 3.867 0 40 FHAB Cc1ccc2c(CN(C)[C@@H](C)c3ccc(-n4cncn4)cc3)cc(=O)oc2c1 17306041 SIDDJHZQIBQDIW-INIZCTEOSA-N 374.444 3.875 0 40 FHAB COc1ccccc1N1C(=O)/C(=C/NCCC(C)C)c2ccccc2C1=O 8560438 QBYUQFWJPNRLAE-NBVRZTHBSA-N 364.445 3.859 0 40 FHAB FC(F)(F)c1ccc(N2CCN(Cc3nc4ccccc4o3)CC2)nc1 96845424 UFTXHRFXPNYWNT-UHFFFAOYSA-N 362.355 3.564 0 40 FHAB C[S@@](=O)c1cccc(NC(=O)C(C)(C)Oc2cccc(Cl)c2)c1 72281474 YXVJDSZRVOYZQD-QHCPKHFHSA-N 351.855 3.874 0 40 FHAB COc1cccc2cc(C(=O)Nc3ccc(SCC(=O)O)cc3)oc12 408570797 YRJCDEDWJIFFEL-UHFFFAOYSA-N 357.387 3.870 0 40 FHAB CCCCN1C(=O)S/C(=C\c2cn(CC(=O)O)c3ccccc23)C1=O 409130021 SYDCKULZNHEMDJ-DHDCSXOGSA-N 358.419 3.562 0 40 FHAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Nc1cccc(C(=O)O)c1 32601645 XHKCFLMTOQXWKH-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB c1cncc(-c2cnc3n2CC2(CCN(Cc4ccsc4)CC2)C3)c1 306131765 KPFSYXBAVRQMRX-UHFFFAOYSA-N 350.491 3.845 0 40 FHAB C[C@@H](NC(=O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1)c1ccc(F)cc1 1539329330 MANQDCUSDDPJCU-HIFRSBDPSA-N 358.388 3.585 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)(C)C)ccc2C)cc1C 33739437 CVJVEXACPAXRKI-UHFFFAOYSA-N 374.506 3.941 0 40 FHAB O=C(Nc1ccc2c(c1)[C@@H](N1CCOCC1)c1ccccc1-2)C(F)(F)F 31614519 BOOBFSOLVRZOTE-KRWDZBQOSA-N 362.351 3.589 0 40 FHAB COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1ccccc1)CC(C)(C)O2 219490083 QBFHTDQDDVTKBQ-RDTXWAMCSA-N 355.434 3.881 0 40 FHAB Cc1cccc(Cn2nccc2NC(=O)/C=C/c2ccc3c(c2)CCO3)c1 30526804 MDJSXWKCBIDDDE-SOFGYWHQSA-N 359.429 3.827 0 40 FHAB CCCc1ccc(OCCNC(=O)C2(c3ccccc3)CCOCC2)cc1 225195818 GODGJHHMKPSYOY-UHFFFAOYSA-N 367.489 3.883 0 40 FHAB CCc1ccc(OCCNS(=O)(=O)Cc2c(F)cccc2Cl)cc1 224181856 JARWXOMONCZUJG-UHFFFAOYSA-N 371.861 3.540 0 40 FHAB O=C(c1ccc(CN2CCOCC2)cc1)c1cccc(Br)c1 43210838 GKFMSGJEXMCFAH-UHFFFAOYSA-N 360.251 3.512 0 40 FHAB Cc1ccc(CNC(=S)Nc2ccc(Sc3ncccn3)nc2)cc1 223944858 CNZWDYNCBUWNLH-UHFFFAOYSA-N 367.503 3.818 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1C 42185141 FPIZGFVDMDMCFW-JKSUJKDBSA-N 355.434 3.719 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 223060922 VQFKAQOJQQNEPL-LJQANCHMSA-N 370.518 3.641 0 40 FHAB CC(C)n1cc(NC(=O)[C@H](C)Oc2nn(-c3ccccc3)cc2Cl)cn1 227152895 WQCBRUXHIAUEFX-ZDUSSCGKSA-N 373.844 3.709 0 40 FHAB Cc1ccc(OCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 222759219 CQAXOXSAGAKMQK-UHFFFAOYSA-N 358.869 3.684 0 40 FHAB CCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCC(C)CC2)n1 225882620 BNWPMWVPWXZIEG-UHFFFAOYSA-N 371.510 3.812 0 40 FHAB Cc1cccc(OCC(=O)N(C)Cc2cc(Br)cs2)c1 48327327 YAFYPSNKHYTVRB-UHFFFAOYSA-N 354.269 3.856 0 40 FHAB O=C(c1cc(Cn2cccn2)on1)N1CCCC[C@H]1c1ccc(F)cc1F 572668165 BMIHSQZSGUAVTJ-SFHVURJKSA-N 372.375 3.565 0 40 FHAB CC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 44904390 BUGVJCTYLXYWPU-CYBMUJFWSA-N 360.841 3.884 0 40 FHAB O=C(CCc1nc(-c2ccccc2Cl)no1)N1CCc2ccccc2C1 41184686 HKCOQDFVGAFDAD-UHFFFAOYSA-N 367.836 3.908 0 40 FHAB CCC(=O)N1CC[C@H](OCc2csc(C)n2)[C@@H](Cc2ccccc2)C1 96220266 SYNMBERWVCHBNT-HKUYNNGSSA-N 358.507 3.838 0 40 FHAB C[C@H]1c2ncc(COCc3ccncc3)n2CCN1Cc1cccs1 96109883 LBOVVFXOXXAHTI-HNNXBMFYSA-N 354.479 3.633 0 40 FHAB O=C(C1CCCC1)N1CCO[C@@H](c2cccc(Cc3ccccc3F)n2)C1 257293747 QQZNBRSBWUGTMA-OAQYLSRUSA-N 368.452 3.902 0 40 FHAB O=C1NC2(CCCCC2)N=C2[C@H]3CCC[C@@]12CN(Cc1ccccc1)C3 585152519 WZRTWUHXKJHGRF-RXVVDRJESA-N 351.494 3.520 0 40 FHAB Cc1ocnc1C(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]21 257340159 ZEUUBHWNXGDTIH-LFEHRJTNSA-N 368.433 3.515 0 40 FHAB Fc1cc2c(c(CN3CCC(n4ncc5ccccc54)CC3)c1)OCOC2 1141397914 BLNXWGCSSBUHOZ-UHFFFAOYSA-N 367.424 3.879 0 40 FHAB Cc1nc(-c2ccc(NS(=O)(=O)c3cnc(C4CC4)s3)cc2)co1 585097942 DEKLVODLPXUAEC-UHFFFAOYSA-N 361.448 3.785 0 40 FHAB Cc1ccc(C(=O)N2CCC[C@]3(CCN3Cc3cnc(C)s3)C2)c(C)c1 585101782 GEIDINBUVURETR-NRFANRHFSA-N 369.534 3.949 0 40 FHAB Cc1ncc(CN(C)C[C@@H](O)COc2ccc(-c3ccccc3)cc2)s1 47258865 IVANZPSFCZQAGB-LJQANCHMSA-N 368.502 3.990 0 40 FHAB O=C(NCc1ccccc1F)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 47727797 YJTXRWTYQMVOIK-UHFFFAOYSA-N 361.804 3.693 0 40 FHAB COc1cccc([C@@H](CNC(=O)NC23CC4CC(CC(C4)C2)C3)OC)c1 96390680 OGWPMJMJFYFTNS-KXDMBUCYSA-N 358.482 3.651 0 40 FHAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)OC[C@@H]5CNC(=O)C5)(C4)C2)C3)cc1 108366218 DMCPWWICULRTSU-UIHBLGAPSA-N 367.489 3.512 0 40 FHAB CC[C@H](NC(=O)N1CCC[C@H]1c1cccn1C)c1ccc2c(c1)OCCO2 79746994 GVKNPDLISYNXHO-WMZOPIPTSA-N 369.465 3.794 0 40 FHAB Cc1ccc(N2CCC[C@H](C(=O)Nc3ccccc3C(F)(F)F)C2)nn1 585234257 BMFBIFDGQJXYAM-ZDUSSCGKSA-N 364.371 3.659 0 40 FHAB CCOc1ccc(CN2CCC[C@@H](n3c(=O)oc4ccccc43)C2)cc1 12119119 RCIYSFJSMKMOJC-QGZVFWFLSA-N 352.434 3.830 0 40 FHAB Cc1cc(CN(C)Cc2ccc(OCc3ccc4c(c3)OCO4)cc2)n[nH]1 12147122 RRUIMVIEPRGFAU-UHFFFAOYSA-N 365.433 3.658 0 40 FHAB Cc1nc2ccc(C(=O)N[C@H](c3ccccc3)c3ccnn3C)cc2s1 12194171 PHNLYAUNEIHISF-LJQANCHMSA-N 362.458 3.858 0 40 FHAB Cc1nc([C@H](Cc2ccsc2)NC(=O)Cc2c(C)n[nH]c2C)sc1C 12228198 PAZSGNDFUYHHNQ-INIZCTEOSA-N 374.535 3.804 0 40 FHAB Cc1ccc(Cl)c(OCC(=O)N[C@@H](c2ccccc2)c2nccn2C)c1 12507764 JXWSTMLQLMUBHF-IBGZPJMESA-N 369.852 3.667 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2ccc(N3CCCC3)cc2)cc1OC 14910582 SPEJKECQNUCHLS-WUXMJOGZSA-N 352.434 3.956 0 40 FHAB Cc1ccc(S(=O)(=O)NC(=O)O[C@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 16310238 YZWRWDKISIQION-XHSDSOJGSA-N 351.468 3.769 0 40 FHAB O=C(CCCCC(=O)OCCC[C@H]1CCCO1)OCCC[C@@H]1CCCO1 18117631 XTNYFARPUNLMRF-HDICACEKSA-N 370.486 3.552 0 40 FHAB Fc1cccc(CN2CCO[C@@H](c3nc(-c4ccccc4)no3)C2)c1F 19374364 SVKFGIKBYDVUGU-MRXNPFEDSA-N 357.360 3.588 0 40 FHAB Cc1ccc(CN2C(=O)N/C(=C/c3cccc(Br)c3)C2=O)cc1 209339066 ZQDVAJKKGPKPOV-MHWRWJLKSA-N 371.234 3.850 0 40 FHAB CC(=O)N(C)c1ccc(NC(=O)NC2(c3c(F)cccc3F)CCC2)cn1 626589581 JBGUJZDWPHNSHD-UHFFFAOYSA-N 374.391 3.543 0 40 FHAB CCOc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CN)CC1 257330922 XQPLZJZQYOWTNX-FIKGOQFSSA-N 367.493 3.717 0 40 FHAB COc1ccccc1NC(=O)CO/N=C/c1ccc(Cl)cc1Cl 2662651 FKTOAWXIFQSJIF-DJKKODMXSA-N 353.205 3.991 0 40 FHAB O=c1c2cc(Cl)ccc2ncn1Cc1nc(-c2ccc(Cl)cc2)no1 6649024 MTNSNQYTHBONOU-UHFFFAOYSA-N 373.199 3.802 0 40 FHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(OC)c1 6874731 AAWFQSYNYYOVOD-UHFFFAOYSA-N 369.339 3.992 0 40 FHAB COCCn1cc(NC(=O)Nc2ccc(N(C)C)cc2)c2ccccc21 5266499 OIKBXTDRIJYXCX-UHFFFAOYSA-N 352.438 3.998 0 40 FHAB O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCCS2(=O)=O)cc1 5438386 UIPGNDVEKGTTHP-UHFFFAOYSA-N 364.854 3.522 0 40 FHAB Fc1ccc(-c2nn3c(-c4ccc5c(c4)OCO5)nnc3s2)c(F)c1 9054172 FGZVDIJSVXKOSC-UHFFFAOYSA-N 358.329 3.527 0 40 FHAB CCOc1cccc2cc(-c3csc(NC(=O)c4ccnn4C)n3)oc12 11695091 VUFNPMORVUZXBQ-UHFFFAOYSA-N 368.418 3.941 0 40 FHAB CCCCNC(=O)Cc1csc(SCC(=O)c2cccs2)n1 12444119 NGSHXBCZXFYDNQ-UHFFFAOYSA-N 354.522 3.638 0 40 FHAB O=C(Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1)c1cccs1 35598171 JXOXVUNDODDTIR-UHFFFAOYSA-N 362.418 3.720 0 40 FHAB COc1ccc(Cc2nnc3sc(/C=C/c4ccco4)nn23)cc1OC 10311840 YYKJLZTYFLHZRT-SOFGYWHQSA-N 368.418 3.557 0 40 FHAB CC(=O)N(c1nnc(SCCOc2ccc(Cl)cc2)s1)C1CC1 25771620 JKRHRSTTXYTARO-UHFFFAOYSA-N 369.899 3.878 0 40 FHAB CCC[C@@H](NC(=O)COc1ccc2c(c1)CCC(=O)N2)c1ccccc1 40050301 VIWZNYQFRHIWCI-GOSISDBHSA-N 352.434 3.608 0 40 FHAB CC(C)NC(=O)c1ccccc1NC(=O)c1csc(Br)c1 40090575 GFIWMKRXWMYGHO-UHFFFAOYSA-N 367.268 3.901 0 40 FHAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1cccc(OC(C)C)c1)CC(O)=N2 20745897 RAOKUGHTGRCXJE-MRXNPFEDSA-N 363.421 3.882 0 40 FHAB COC(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 32901740 DCTLXVKCKHQXDL-LLVKDONJSA-N 374.780 3.504 0 40 FHAB CCOc1ccc(NC(=O)[C@@H]2CCCN(CCc3ccccc3)C2)cc1 1845601 IVBGOSVLURUGPB-LJQANCHMSA-N 352.478 3.979 0 40 FHAB C[C@H](CC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl)c1ccncc1 79092880 BVAHXFHFOWHZLR-BDJLRTHQSA-N 353.249 3.732 0 40 FHAB CCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 3483911 FICVAONDWRWLLV-UHFFFAOYSA-N 352.463 3.553 0 40 FHAB Cc1ccc2nc(C)c(C(=O)Nc3cccc(C(=O)NC4CC4)c3)cc2c1 22229588 XFUDTDPMAFZBAR-UHFFFAOYSA-N 359.429 3.996 0 40 FHAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1N1C(=O)CCC1=O 2732322 KYOMVRLVBRJSPW-UHFFFAOYSA-N 352.221 3.508 0 40 FHAB CCCNC(=O)CSc1nc(COc2ccccc2)nc2ccccc12 4936920 LTBPEMCEGFXWHR-UHFFFAOYSA-N 367.474 3.827 0 40 FHAB Cc1ccc(OCC(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1C 6503765 SYONRKBSBODPBV-UHFFFAOYSA-N 372.534 3.642 0 40 FHAB C#CCOc1ccc2ccccc2c1/C=C(\Sc1nnc(C)o1)C(=O)O 7603826 JZYWGITTYBENMH-BOPFTXTBSA-N 366.398 3.761 0 40 FHAB Cc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O 8570765 WIVPVJVOXCWNBJ-OQLLNIDSSA-N 354.793 3.623 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2)c1 8757267 VQQODECDDZCYHK-UHFFFAOYSA-N 371.824 3.854 0 40 FHAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(=O)n(-c2ccccc2)n1 24538040 GCSIXLHMTAVHTH-UHFFFAOYSA-N 360.200 3.792 0 40 FHAB COC(=O)[C@@](Nc1ccc(C)cc1)(Nc1cc(C)ccn1)C(F)(F)F 12461649 UJZLPCHKWYAIRH-MRXNPFEDSA-N 353.344 3.654 0 40 FHAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Br)cc3)CC2=O)c1 59227280 BQLBRDWYVWUECP-CYBMUJFWSA-N 373.250 3.749 0 40 FHAB Cc1cnc(NC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)s1 24757058 ZLTBFSLQZHTJTJ-UHFFFAOYSA-N 358.492 3.805 0 40 FHAB Cc1cc(N2CCCC2)ccc1NC(=O)CCCn1c(C)csc1=O 24860796 YEIGAORALQURFN-UHFFFAOYSA-N 359.495 3.546 0 40 FHAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)NCc1ccco1 1393719 RHDKRWWZYOMPMO-UHFFFAOYSA-N 365.311 3.597 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccccc2SC(F)(F)F)on1 47769720 SVNULAHIKKAXCP-SECBINFHSA-N 374.340 3.779 0 40 FHAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(OC(C)C)cc3)CC2=O)cc1 103717137 OSGMRXHUQMJMEM-INIZCTEOSA-N 352.434 3.774 0 40 FHAB CCCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 1411746 CZERFCTVXYOEOY-UHFFFAOYSA-N 365.842 3.798 0 40 FHAB CN1CCN(c2ccccc2NC(=O)c2ccc(Cl)c(Cl)c2)CC1 1401307 YHRQNPGLRTYMMD-UHFFFAOYSA-N 364.276 3.998 0 40 FHAB CC[C@@H](C)c1ccc(N[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 12527836 XKOGVQMKFLITQL-CHWSQXEVSA-N 352.438 3.809 0 40 FHAB C[C@@H](Sc1ncc2ccccn12)C(=O)Nc1ccc(F)c(F)c1F 26372335 OMJOUCSAYCDUMB-SECBINFHSA-N 351.353 3.871 0 40 FHAB CCc1ccccc1NC(=O)c1cn(CC)c2ccc(OC)cc2c1=O 22235736 JXZXRYGQNCKSJQ-UHFFFAOYSA-N 350.418 3.845 0 40 FHAB CCCCN(C)C(=O)CSc1nc2ccsc2c(=O)n1CCCC 57478646 QJXZJXHLZYTNPN-UHFFFAOYSA-N 367.540 3.609 0 40 FHAB FC(F)(F)c1nc(Cl)c2cc(I)ccc2n1 26894536 FPZIZZJDDSBKBN-UHFFFAOYSA-N 358.488 3.907 0 40 FHAB CC(=O)N[C@@H](CC(=O)N(C)c1nc2ccccc2s1)c1ccc(C)cc1 26967855 JVVMCSGEQQESLI-KRWDZBQOSA-N 367.474 3.835 0 40 FHAB COCc1cccc(CNC(=O)COc2ccc(C(F)(F)F)cc2)c1 44573959 VNGKSRIXJIOPIN-UHFFFAOYSA-N 353.340 3.547 0 40 FHAB CCn1cc(Cl)c(C(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)n1 28244147 CTHIAPORJRDCRQ-UHFFFAOYSA-N 350.209 3.648 0 40 FHAB CCNC(=O)COc1ccc(NC(=O)N[C@@H](c2ccccc2)C(C)C)cc1 58160998 RNRHLDMQRFQZER-HXUWFJFHSA-N 369.465 3.720 0 40 FHAB O=C(Nc1cccc(CN2CCCCC2=O)c1)c1ccn(-c2ccccc2)n1 58201966 PMGMGJFYNLOWCX-UHFFFAOYSA-N 374.444 3.637 0 40 FHAB O=C(CSc1nc2c3ccccc3ncn2n1)c1ccc(Cl)cc1 58047072 ZRISXKRBZZBRDG-UHFFFAOYSA-N 354.822 3.906 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(C(=O)O)c1 48285892 AKZBTOAZKPWITJ-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB CCCC[C@@H]1[C@H]2C(=O)N(c3ccccc3C)C(=O)[C@@H]2ON1c1ccccc1 102727387 SXZFTHLDQXMSFV-VAMGGRTRSA-N 364.445 3.864 0 40 FHAB Cc1cccc(OCCC(=O)NC[C@H](c2ccco2)N2CCCCC2)c1 3351188 YKPVJEFRIBUFFX-LJQANCHMSA-N 356.466 3.700 0 40 FHAB Cc1cccc(-c2nc(CC(=O)OCc3ccc(C(N)=O)cc3)cs2)c1 10775597 IPXPWKMHBWTDAP-UHFFFAOYSA-N 366.442 3.503 0 40 FHAB Cc1cccc(NC(=O)CNC(=O)Cc2coc3c(C)c(C)ccc23)c1 72427718 IMAKHRCJAAAMPK-UHFFFAOYSA-N 350.418 3.655 0 40 FHAB CC(C)N(Cc1ccccc1)C(=O)C[C@@H]1Sc2ccccc2NC1=O 59849367 HYUFKWNQXAEZKK-SFHVURJKSA-N 354.475 3.927 0 40 FHAB Cn1c(SCC(=O)NCc2ccc(F)cc2)nc2cc(Cl)ccc21 48361552 QRRVJOWIPVDUGI-UHFFFAOYSA-N 363.845 3.774 0 40 FHAB CC(=O)Nc1ccc(OCC(=O)c2cc(C)n(-c3nccs3)c2C)cc1 12897797 FMRPZDNRWIHSKU-UHFFFAOYSA-N 369.446 3.771 0 40 FHAB CCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 408544670 IKFDFYAWOXQTLP-UHFFFAOYSA-N 360.479 3.552 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)CN[C@H](C)c1cc(C)ccc1C 12908999 DJXXEASBIQVNGY-MRXNPFEDSA-N 354.450 3.769 0 40 FHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1nc2c(s1)CCCC2 12923754 BBAYATJLKQEDNU-UHFFFAOYSA-N 372.425 3.782 0 40 FHAB COc1cccc(N2C[C@H](C(=O)Nc3ccc(C(C)C)cc3)CC2=O)c1 13015055 RHCKRYBBHLZBPP-MRXNPFEDSA-N 352.434 3.810 0 40 FHAB COc1ccc([C@@H]2[C@H](C(=O)O)CCC(=O)N2c2ccc(C)cc2)cc1OC 3888149 KZRIPBOEXHKWGY-OXQOHEQNSA-N 369.417 3.581 0 40 FHAB O=C(c1ccc2c(O)[nH]c(=S)nc2c1)N(Cc1cccs1)C1CC1 63809577 JRTABBHJEJXAPK-UHFFFAOYSA-N 357.460 3.864 0 40 FHAB COc1ccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 8941162 TVRSCRVWXQLHBK-UHFFFAOYSA-N 351.406 3.692 0 40 FHAB COc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1 6352302 SHKAQSVVGIGRQP-UHFFFAOYSA-N 361.341 3.523 0 40 FHAB CC(C)(C)c1cc(NC(=O)CSc2ncccn2)n(-c2ccccc2)n1 14083158 GUFOFVKNSNTSSH-UHFFFAOYSA-N 367.478 3.691 0 40 FHAB C[C@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccccc1 6401661 MOAKUANLJCHGEA-INIZCTEOSA-N 369.424 3.877 0 40 FHAB COc1cc(CNC(=O)N[C@@H](C)c2cc(C)ccc2C)cc(OC)c1OC 14181401 CIFPKYFNCALUHS-HNNXBMFYSA-N 372.465 3.890 0 40 FHAB C[C@H](NC(=O)COc1ccc(C(N)=O)cc1)c1ccc(-c2ccccc2)cc1 14117117 QBEUTLVYMZXNTA-INIZCTEOSA-N 374.440 3.709 0 40 FHAB C[C@@H]1CN(C(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)C[C@@H](C)O1 14138179 OVITZMRQDFOAQT-HUUCEWRRSA-N 363.417 3.653 0 40 FHAB CCOc1ccc(CCNC2=CC(=O)OC23CCCCC3)cc1OCC 4576327 JYCLYPJKMQYQMJ-UHFFFAOYSA-N 359.466 3.760 0 40 FHAB CNC(=O)c1ccc(CN(C)C(=O)Cc2ccc(Cl)cc2Cl)cc1 14241553 ZOKWKNCBPGLINJ-UHFFFAOYSA-N 365.260 3.554 0 40 FHAB CCOC(=O)c1ccc(O[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc1 5429055 QXHXNGKADRLECB-QRWLVFNGSA-N 367.445 3.824 0 40 FHAB O=C1C[C@H](C(F)(F)F)c2c(c(C(=O)O)cn2-c2ccc(Cl)cc2)N1 66091446 BXWMNQSRWGRLMJ-JTQLQIEISA-N 358.703 3.817 0 40 FHAB CC(C)C(=O)NCCCc1nc2ccccc2n1Cc1ccc(F)cc1 5545975 HIVLTTIFLZFSBK-UHFFFAOYSA-N 353.441 3.929 0 40 FHAB CC(C)(C)c1ncc(C(=O)NCc2cccc(C(=O)N3CCCC3)c2)s1 67482089 IDASHWHLZKPZJA-UHFFFAOYSA-N 371.506 3.607 0 40 FHAB O=C(Nc1ccc2c(c1)CCC2)C1CCN(C(=O)OCC(F)(F)F)CC1 15516978 URVMOXXGPXUJNA-UHFFFAOYSA-N 370.371 3.525 0 40 FHAB COc1ccc(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1OC 15593796 RMOKNUCMLRPCSB-GOSISDBHSA-N 353.422 3.707 0 40 FHAB COc1cccc(CN(C)CC(=O)N[C@H](C)c2cc3ccccc3o2)c1 7679385 HZJPZHRODZPBKG-OAHLLOKOSA-N 352.434 3.751 0 40 FHAB Cc1ccccc1-c1noc(COC(=O)c2cc3ccccc3oc2=O)n1 7604492 AXHPYSUNRYBIDY-UHFFFAOYSA-N 362.341 3.508 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2ccc3oc(C)nc3c2)c1C 9322616 DKMDHYYFUNKSQV-NSHDSACASA-N 355.394 3.551 0 40 FHAB Cc1c(C)n(-c2nccs2)c2ncn3nc(-c4cccs4)nc3c12 9305677 YJKAMQTTYCVQGY-UHFFFAOYSA-N 352.448 3.870 0 40 FHAB CSCc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2ccccc12 7986857 BWPFBWIPTTYARO-UHFFFAOYSA-N 355.415 3.955 0 40 FHAB Cc1ccc(C(=O)NC2CCN(C(=S)Nc3cccc(C)c3)CC2)cc1 35311021 NDWYDAIJRLQOFB-UHFFFAOYSA-N 367.518 3.895 0 40 FHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)Cc1ccc2ccccc2c1 8313970 YCOPZBUWFZUFHW-UHFFFAOYSA-N 350.393 3.619 0 40 FHAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CNC(=O)/C=C/c1ccco1 71844267 NKHQGSYVIBJCNX-DSJWGCTQSA-N 366.461 3.594 0 40 FHAB COc1ccc2c(c1)CCc1cc(C(=O)N(C)Cc3cnn(C)c3)sc1-2 24481028 IKRGIASXWWYUHN-UHFFFAOYSA-N 367.474 3.528 0 40 FHAB Cc1ccccc1C(=O)N[C@H](NCc1cccnc1)C(Cl)(Cl)Cl 19990419 OOQLYUIEUWGLRU-HNNXBMFYSA-N 372.683 3.606 0 40 FHAB CC(C)[C@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(F)cc1 9749427 AZKSOJMXLNKRQD-IBGZPJMESA-N 359.832 3.974 0 40 FHAB CCN(C[C@H]1CCCO1)c1nc(C)nc2c1cnn2-c1cccc(Cl)c1 95373511 BIKOWNDUYKUPTM-MRXNPFEDSA-N 371.872 3.783 0 40 FHAB C[C@H](NC(=O)Cn1ccc(=O)c2ccccc21)C12CC3CC(CC(C3)C1)C2 84633297 YEFQGJNXQTVXQZ-SCUMNGBJSA-N 364.489 3.723 0 40 FHAB Cc1ccc(-c2cnc(CCC(=O)NCc3cccc(C(=O)O)c3)o2)cc1 95425097 VHKJPEPQSYDBMF-UHFFFAOYSA-N 364.401 3.597 0 40 FHAB CCOCCNC(=O)Nc1cccc(CN(CC)C(=O)OC(C)(C)C)c1 72289579 LTUKDMBUUCJBMH-UHFFFAOYSA-N 365.474 3.602 0 40 FHAB C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(Br)cc1Cl 95451382 HTBQWXPQHYOEGZ-NSHDSACASA-N 373.722 3.905 0 40 FHAB O=C(c1ccc(F)c(F)c1)N1CCC[C@H]1c1nc(-c2ccccc2)no1 98212249 CRWHFXSIDSNWAV-INIZCTEOSA-N 355.344 3.992 0 40 FHAB O=C(Nc1ccc(OCCc2ccncc2)cc1)c1ccc2c(c1)CCO2 95953749 BABKHNNWGQBHRZ-UHFFFAOYSA-N 360.413 3.890 0 40 FHAB COCCN(C(=O)c1cccc(Cl)c1)c1nnc(-c2cccnc2)s1 35310919 SDCQBPSDICLMFZ-UHFFFAOYSA-N 374.853 3.547 0 40 FHAB COCC(=O)N1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 72349274 UWSQVUHKDYBMDX-INIZCTEOSA-N 358.869 3.678 0 40 FHAB CCn1nc(-c2nn3c(Cc4ccccc4Cl)nnc3s2)cc1C 71283968 XASCKQWKGRQXTO-UHFFFAOYSA-N 358.858 3.622 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H]1COc1cccc(Br)n1 72203487 ZIQCRIREJXJFIQ-NSHDSACASA-N 357.248 3.622 0 40 FHAB Cc1cc(CNC(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)cc(C)n1 563850701 BZPMBKVFXUFPLB-HXUWFJFHSA-N 365.477 3.762 0 40 FHAB COc1ccc(CN2CCC(NC(=O)Nc3ccc(C)cc3)CC2)cc1F 47323819 ZTDZPLYZISLUJQ-UHFFFAOYSA-N 371.456 3.929 0 40 FHAB Cn1ccc2c(NC(=O)c3ccc(S(=O)(=O)CC4CC4)cc3)cccc21 570656295 DKOSGELGKKHGCN-UHFFFAOYSA-N 368.458 3.614 0 40 FHAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl 222483179 SITYOCBQKFLKOA-INIZCTEOSA-N 372.896 3.744 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 224172660 WRNLJFZIUCUZDV-NRFANRHFSA-N 366.505 3.789 0 40 FHAB C[C@@]1(O)CCN(CC2CCCCC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 514289970 RQBFYHPBWHNEFR-QNWVGRARSA-N 370.537 3.660 0 40 FHAB biogenic,in-vitro COc1cc(Br)cc(C)c1NC(=O)COc1ccc(F)cc1 40146449 POFANZXAQNALES-UHFFFAOYSA-N 368.202 3.923 0 40 FHAB CC[C@H](Oc1ccccc1OC)C(=O)n1cc(C(=O)OC)c2ccccc21 222626953 PCNBIRRULDMYHD-KRWDZBQOSA-N 367.401 3.934 0 40 FHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 225719532 XDAAUNMZKLLASA-NRFANRHFSA-N 366.505 3.870 0 40 FHAB CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)cc1 224853879 XJWFSZXNUOMTOI-UHFFFAOYSA-N 359.369 3.929 0 40 FHAB CCc1cc(C(=O)N2CCCC[C@@H]2c2nnc(-c3ccccc3F)o2)n[nH]1 583621536 YPHVPORLASTUSQ-MRXNPFEDSA-N 369.400 3.529 0 40 FHAB Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 242981395 HRBSRZYOOZMMTL-INIZCTEOSA-N 356.853 3.626 0 40 FHAB Cc1nc(Nc2ccccn2)cc([C@H]2CCCN(Cc3cncs3)C2)n1 257338730 YYSWVOPBLLKBOC-HNNXBMFYSA-N 366.494 3.760 0 40 FHAB Cc1nccc(CN2CCC(c3ccnc(-c4c(C)noc4C)c3)CC2)n1 257242910 IERMICSBGOBVNA-UHFFFAOYSA-N 363.465 3.831 0 40 FHAB CN(C)c1nc([C@]2(C)CCCN(C(=O)c3ccccc3)C2)cn2cccc12 257258392 KTRGNVOUNZRXRI-JOCHJYFZSA-N 362.477 3.594 0 40 FHAB CC(C)(C)C(=O)N1CCC[C@@H](c2cncc(-c3cccc(C(=O)O)c3)n2)C1 257297115 RFXCSCNUXHDIFP-MRXNPFEDSA-N 367.449 3.594 0 40 FHAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1CCC[C@H](C)C1 260740914 ALPTYUYMOUNOGP-AVRDEDQJSA-N 372.553 3.961 0 40 FHAB Cc1cc(C)c2c(c1)N(C(=O)CCc1c(C)nc3ccnn3c1C)CCC2 589388229 CFRXWRVYULGLMK-UHFFFAOYSA-N 362.477 3.875 0 40 FHAB COc1cc2c(cc1OC)[C@@H](NC(=O)c1onc3c1CCCC3)CCCC2 1303083545 KPRDEHMWPAPOQB-INIZCTEOSA-N 370.449 3.768 0 40 FHAB COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CCC[C@@H](N2CCCC2)C1 611661175 KINQZWWTAFJPFB-DYVFJYSZSA-N 371.308 3.768 0 40 FHAB CC(C)CO[C@H](C)c1noc(CN(C)Cc2cc(O)ccc2Cl)n1 625204130 LOUIJPBKIBBMIN-GFCCVEGCSA-N 353.850 3.794 0 40 FHAB COC(=O)c1ccc(CN2CCC[C@H](c3cc4ccccc4[nH]3)C2)n1C 1657293366 IHQZRYLUIFYZNV-INIZCTEOSA-N 351.450 3.673 0 40 FHAB CO[C@H]1C[C@@H](N(C)C(=O)Nc2cc(Br)cnc2C)C12CCC2 653582822 KNZYGHVYOGLNHU-KGLIPLIRSA-N 368.275 3.574 0 40 FHAB Cc1nc(CN2CCC[C@@H]2c2nc3c(n2C)CCCC3)nc2ccccc12 548349575 BUFWULXGVUQLEV-HXUWFJFHSA-N 361.493 3.888 0 40 FHAB CC(C)(C)OC(=O)NC[C@@H]1Cc2cc(Br)cc(Cl)c2O1 140313136 KSVASNJLEZKGDF-JTQLQIEISA-N 362.651 3.931 0 40 FHAB CCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(OC)cc2OC)c1 936258 ZPQVOBMPERUUGL-PKNBQFBNSA-N 355.390 3.532 0 40 FHAB N#C/C(=C\c1cn(Cc2ccc(C#N)cc2)c2ccccc12)C(=O)NC1CC1 7098673 DDFWMFIMHUMSSN-WOJGMQOQSA-N 366.424 3.747 0 40 FHAB CN1C(=O)N/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C1=O 8091600 HXVOARXSMYGESK-DEDYPNTBSA-N 358.397 3.941 0 40 FHAB Cc1c(C(=O)OCc2cc(=O)n3ccsc3n2)oc2c(Cl)cccc12 11123697 LFVWBEYERKSJFX-UHFFFAOYSA-N 374.805 3.821 0 40 FHAB COc1ccccc1C1(NC(=O)Cc2ccc3c(c2)OCO3)CCCC1 12143054 RKNNSGVYWLSPDR-UHFFFAOYSA-N 353.418 3.552 0 40 FHAB O=C(c1ccc2c(c1)OCCO2)N1CCCC[C@H]1c1nc2ccccc2[nH]1 12221898 WVADMCLZKCQSHV-KRWDZBQOSA-N 363.417 3.702 0 40 FHAB CC(=O)[C@H](C)OC(=O)c1ccccc1SCC(=O)Nc1ccc(C)cc1 13055948 DVYVEMKUFXPMGB-HNNXBMFYSA-N 371.458 3.860 0 40 FHAB CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2Cl)n2nc(C)nc2N1 14163400 PDTRQRRYTAZGOP-MRXNPFEDSA-N 360.845 3.872 0 40 FHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@H](C)Oc2cccc(F)c2)c1 19078607 WGAKYKNLOHPPCL-IFXJQAMLSA-N 373.424 3.974 0 40 FHAB O=C(O)c1ccc(-c2ccccc2NS(=O)(=O)c2ccc(F)cc2)o1 226353542 SAXHTTRAOMYBMG-UHFFFAOYSA-N 361.350 3.585 0 40 FHAB CCOc1cccc2c1OCCCCCNC(=O)CN(CC1CCCC1)C2 643574590 CINHGSOHVUEDRO-UHFFFAOYSA-N 374.525 3.756 0 40 FHAB COc1ccc(CC(=O)NCC2(c3cccs3)CCCC2)cc1OC 13803200 KEQLBNUYVCUQPA-UHFFFAOYSA-N 359.491 3.936 0 40 FHAB CC(C)=CCc1ccc(Oc2c(O)cc(C)cc2CO)c(C(=O)O)c1O 31159020 CQCKOPHUTBMXHC-UHFFFAOYSA-N 358.390 3.898 0 40 FHAB biogenic,in-vitro Cc1nc(SCC(=O)N2CCC(c3ccccc3)=N2)n(CC(C)C)c1C 5152104 MAFHVTTXNFCCMG-UHFFFAOYSA-N 370.522 3.885 0 40 FHAB O=C(CN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)-c1ccccc1C2 5398101 FBMXQCTUNKZTNQ-UHFFFAOYSA-N 353.377 3.737 0 40 FHAB CCOC(=O)c1sc2ncc(C(=O)c3cc(F)ccc3O)cc2c1C 5950585 KNACFTSEUZDGFY-UHFFFAOYSA-N 359.378 3.857 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)c2ccc3[nH]cnc3c2)cc1OC 23386073 CBRIFXOXOJEKJW-QGZVFWFLSA-N 351.406 3.557 0 40 FHAB Cc1ccc2cc(CCNC(=O)c3ccccc3Cl)c(=O)[nH]c2c1C 3911864 XAMCRKCOAPWSJD-UHFFFAOYSA-N 354.837 3.771 0 40 FHAB Cc1cn2c(=O)c(C(=O)Nc3ccc(Cl)cc3Cl)cnc2s1 4517288 WDQFOXWCHIRLON-UHFFFAOYSA-N 354.218 3.624 0 40 FHAB COc1ccc(CCC(=O)Nc2ccc3c(c2)N(C(C)=O)CCC3)cc1 5252253 JDECCZMZYNWENR-UHFFFAOYSA-N 352.434 3.566 0 40 FHAB CC(=O)c1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3C)c2)c1 10187858 KASSDUQNIBRLRX-UHFFFAOYSA-N 360.413 3.660 0 40 FHAB Cc1ccc(/C=C(/c2nnc(C)o2)S(=O)(=O)c2ccc(C)cc2)cc1 32577831 YVOQANMZXNRCSQ-PDGQHHTCSA-N 354.431 3.967 0 40 FHAB CCc1nc2sc([C@@H](c3ccccc3)N3CCC[C@H](C)C3)c(O)n2n1 36104692 HFWVDKOSMJAKCC-XJKSGUPXSA-N 356.495 3.880 0 40 FHAB COc1ccc(N2C[C@H](c3noc(-c4ccc(C)c(C)c4)n3)CC2=O)cc1 44417496 LJGSNJIAHNMPQM-MRXNPFEDSA-N 363.417 3.883 0 40 FHAB COc1ccc(/C=C2/SC(=O)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1 101792685 HXUCMTONVTXJSL-MHWRWJLKSA-N 369.398 3.630 0 40 FHAB C/C=C/c1ccc(OCC(=O)NC[C@@H](C2CCCCC2)N(C)C)c(OC)c1 32926383 XGONHWFXMWMBTA-SQUITACLSA-N 374.525 3.734 0 40 FHAB Cc1occc1-c1nnc(S[C@@H](C)c2nc(-c3cccnc3)no2)o1 32901502 IRYHORIXLTXMIR-JTQLQIEISA-N 355.379 3.936 0 40 FHAB CC1(C)[C@@H]2CC[C@@]1(C)c1nc(SCC(=O)Nc3ccccc3)nnc12 658477 WHBURJYQETVHBE-YJYMSZOUSA-N 354.479 3.777 0 40 FHAB O=C(NC(=S)NCCC1=CCCCC1)c1ccccc1Br 675565 YHXYPMKUNJEBTR-UHFFFAOYSA-N 367.312 3.944 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc(O)cc3)n2C)cc1 787039 YSXKTKBFDYTYEU-ZDUSSCGKSA-N 368.462 3.615 0 40 FHAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc4ccccc4c3)CC2=O)cc1 806855 DIMNJTNRDRALNB-KRWDZBQOSA-N 360.413 3.840 0 40 FHAB Cc1cccc(OCc2nnc(SCC(=O)OC3CCCCC3)o2)c1 899636 GFLXXNWIDGSKQA-UHFFFAOYSA-N 362.451 3.925 0 40 FHAB C[C@@H]1CCCN(C(=O)C2(NC(=O)Nc3cccc(F)c3)CCCCC2)C1 1344840 XCGDPHPWJJOIRA-OAHLLOKOSA-N 361.461 3.909 0 40 FHAB CCCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccco1 1364329 KYQVULIDVYWFLU-UHFFFAOYSA-N 368.462 3.630 0 40 FHAB COC(=O)c1ccc(NC(=S)N2CCCC[C@H]2c2cccnc2)cc1 1442183 TVWPSPBQWZKCQA-KRWDZBQOSA-N 355.463 3.792 0 40 FHAB biogenic Cc1cccc(OCCCC(=O)OCC(=O)Nc2ccc(F)cc2)c1C 1787505 YFIJQWDFMNGVQF-UHFFFAOYSA-N 359.397 3.783 0 40 FHAB COc1ccc(/C=C/C(=O)NCCc2c[nH]c3cc(OC)ccc23)cc1 2129998 GSAUSANZQXAASQ-BJMVGYQFSA-N 350.418 3.557 0 40 FHAB biogenic CC(=O)CSc1nc2ccc(NC(=O)COc3ccccc3)cc2s1 2264322 YSIWRQVLQNGLJE-UHFFFAOYSA-N 372.471 3.995 0 40 FHAB CCOc1cccc(-c2nnc3sc(COc4ccccc4)nn23)c1 2397391 JMRZHSPRCJICDL-UHFFFAOYSA-N 352.419 3.831 0 40 FHAB Cc1nc2sc3c(c2c2nc(-c4cccc(O)c4)nn12)CC(C)(C)OC3 2444557 CIGQVJSEYBZIBO-UHFFFAOYSA-N 366.446 3.871 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 2662205 LPSZYAIWWGXNAD-RHSMWYFYSA-N 370.522 3.932 0 40 FHAB COc1ccc(-n2cc(-c3ccccc3)c3c(NCCCO)ncnc32)cc1 2714680 OZDZZVIOOYLLIJ-UHFFFAOYSA-N 374.444 3.890 0 40 FHAB Cc1noc(C)c1CSc1nc2sc3c(c2c(=O)n1C)CCCC3 3254977 PFSVSDCQQMVBKB-UHFFFAOYSA-N 361.492 3.771 0 40 FHAB CCOC(=O)c1oc2ccccc2c1NC(=O)COc1cccc(OC)c1 4111039 JJAXELLBUAMABD-UHFFFAOYSA-N 369.373 3.636 0 40 FHAB O=C(c1ccccc1)c1nnc(-c2ccc(Br)cc2)cc1O 4171575 MVSILOCWBZHGFD-UHFFFAOYSA-N 355.191 3.843 0 40 FHAB Cc1cc(C(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1CCC1=CCCCC1 4309203 QAOKPAJBAPLJGN-UHFFFAOYSA-N 371.481 3.509 0 40 FHAB Cc1cc(C)n(-c2nc3ccccc3nc2Nc2cccc(C(=O)O)c2)n1 4396344 YLKGNCZEORRQHO-UHFFFAOYSA-N 359.389 3.874 0 40 FHAB Cc1ccc([C@@H](NC=O)C(=O)NC(c2ccccc2)c2ccccc2)s1 4672565 VPQPXPSMBRNKJR-HXUWFJFHSA-N 364.470 3.749 0 40 FHAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)cc1 5136409 JIYQRMYJCBPCSA-UHFFFAOYSA-N 366.461 3.948 0 40 FHAB Cc1cccc(C)c1N1C(=O)C[C@@]2(CC(c3ccc(Cl)cc3)=NO2)C1=O 5268522 ZVKUJEFHVSNYPW-FQEVSTJZSA-N 368.820 3.784 0 40 FHAB Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 5455557 NKKAFVOZZHYPNY-UHFFFAOYSA-N 372.490 3.730 0 40 FHAB O=C([C@H](Sc1nnc(-c2cccnc2)o1)c1ccccc1)N1CCCC1 5473632 WKPQLIUVKDKBKK-MRXNPFEDSA-N 366.446 3.587 0 40 FHAB COCCCNC(=O)Cn1cc(C(=O)C2CCCCC2)c2ccccc21 6413294 PKSBUVWFOSFLMH-UHFFFAOYSA-N 356.466 3.557 0 40 FHAB CCN1C(=O)N/C(=C/c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)C1=O 6630146 FMLMXMZQOZQBRJ-WOJGMQOQSA-N 351.450 3.932 0 40 FHAB O=C1C[C@H](c2cccc(Cl)c2)Cc2nc3nc(C(F)(F)F)nn3cc21 6759787 DQAYERYMTUYTFY-SECBINFHSA-N 366.730 3.709 0 40 FHAB CCc1ccccc1Nc1nc(N)nc(CN(C)Cc2ccc(F)cc2)n1 6831644 KXBPIFHIKPKTPZ-UHFFFAOYSA-N 366.444 3.531 0 40 FHAB Cc1cc(C)c(CNC(=O)/C=C/c2ccc(Cl)cc2Cl)c(=O)[nH]1 7056325 MPBNULCOFUZFEX-GQCTYLIASA-N 351.233 3.628 0 40 FHAB COc1cc(C(=O)Oc2ccc(-c3nnco3)cc2)ccc1OC(F)F 7779866 KMCKEWRXTYOEMV-UHFFFAOYSA-N 362.288 3.566 0 40 FHAB COC(=O)c1ccccc1NC(=O)CNc1ccccc1N1CCCCC1 7973143 DRJMCXRSDUXHFD-UHFFFAOYSA-N 367.449 3.514 0 40 FHAB COc1ccccc1NC1=NN=C(c2ccc3c(c2)OCCCO3)CS1 8194660 GELAIVDUJDBVTC-UHFFFAOYSA-N 369.446 3.776 0 40 FHAB CCOc1cc(CNn2c(-c3ccccc3)n[nH]c2=S)ccc1OC 8254371 RNDRWXCLVRLHTE-UHFFFAOYSA-N 356.451 3.759 0 40 FHAB CC(=O)c1ccc(N2CCN(C(=S)Nc3ccccc3F)CC2)cc1 8688017 OYHAWEHWSXKBAV-UHFFFAOYSA-N 357.454 3.547 0 40 FHAB CCc1nc(SCC(=O)NCc2ccco2)c2oc3ccccc3c2n1 8704585 WORDZMGHOQTUCW-UHFFFAOYSA-N 367.430 3.940 0 40 FHAB CC(C)(C)C(=O)Nc1ccccc1C(=O)/N=c1/[nH]c2ccccc2s1 8741402 OHBZLVLVPMWAKV-UHFFFAOYSA-N 353.447 3.955 0 40 FHAB COc1ccc(-c2nnc(NC(=O)c3cccc(F)c3)s2)cc1OC 9328649 RZFBOZKAGOEBMN-UHFFFAOYSA-N 359.382 3.614 0 40 FHAB COc1ccccc1-c1nn(-c2ccccc2)cc1CNC[C@H]1CCCO1 9376746 NBTAHEKVOYQSJR-LJQANCHMSA-N 363.461 3.817 0 40 FHAB Cc1cc(C(=O)Nc2cccc3ccccc23)ccc1NS(C)(=O)=O 10360723 WVKSXKUPKSQDEN-UHFFFAOYSA-N 354.431 3.772 0 40 FHAB COc1ccc(OC[C@H]2[C@H]3CC[C@H](C3)N2C(=O)C2CCC(OC)CC2)cc1 12328749 WHXDNXKKSMEEFL-LLSDLYMQSA-N 373.493 3.659 0 40 FHAB CCn1c2ccccc2c2cc(NC(=O)[C@H](NC(C)=O)C(C)C)ccc21 12527062 MZEQLUFSGFTDGZ-HXUWFJFHSA-N 351.450 3.914 0 40 FHAB C[C@@H](NC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccc(-n2ccnc2)cc1 12541114 UDVZOESMEQXLPZ-OAHLLOKOSA-N 357.417 3.753 0 40 FHAB COc1cccc([C@H]2NC(=O)c3sc4nc(C)cc(C)c4c3N2)c1OC 12609526 RFVLDZDVTOYNIM-QGZVFWFLSA-N 369.446 3.784 0 40 FHAB CCOc1ccccc1C(=O)N(CC)Cc1cc2cc(C)ccc2[nH]c1=O 13479880 NZHOYDONUQGQSD-UHFFFAOYSA-N 364.445 3.898 0 40 FHAB CC[C@@H](C)c1ccc(-c2csc(NC(=O)c3ccc(=O)n(C)n3)n2)cc1 14085427 QEIXYDNKTQMXMV-GFCCVEGCSA-N 368.462 3.670 0 40 FHAB CCOc1ccc(OC(C)(C)C(=O)Nc2ccc(OC)cc2OC)cc1 14163703 AMAAXMRNCVPGND-UHFFFAOYSA-N 359.422 3.899 0 40 FHAB NC(=O)[C@@H](NC(=O)/C=C/c1ccc(-c2ccccc2)s1)c1ccccc1 14199659 HVHDAMOJAFPJPO-PKHIPVCBSA-N 362.454 3.771 0 40 FHAB COc1ccccc1N1C[C@@H](C(=O)Nc2cccc(Cl)c2C)CC1=O 14494735 GFDVCLMXVRNQHZ-ZDUSSCGKSA-N 358.825 3.649 0 40 FHAB CCOc1ccc(Nc2ncccc2C(=O)OCc2cc(C)no2)cc1 14675894 BREBRDXNLRGXAI-UHFFFAOYSA-N 353.378 3.877 0 40 FHAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CCNC(=O)c1ccccc1 15094388 IWZURQYSMPWRCZ-AWEZNQCLSA-N 367.474 3.636 0 40 FHAB O=C(NC1CCCCC1)[C@@H]1c2ccccc2C(=O)N1Cc1cccs1 17173003 XZEMYBFLICCTDI-SFHVURJKSA-N 354.475 3.894 0 40 FHAB Cc1csc(SCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)n1 17324634 KCXJNSRQAHOAQX-KBPBESRZSA-N 362.520 3.993 0 40 FHAB Cc1cccc(C)c1NC(=O)CNC(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 18324059 NVUWIQILSQYLOZ-XBLGPDGASA-N 374.912 3.936 0 40 FHAB O=C(NC1CCN(C[C@H](c2ccccc2)C2CCCC2)CC1)[C@H]1CCCO1 19369201 LELXOLLQAHEFQB-FGZHOGPDSA-N 370.537 3.720 0 40 FHAB COCCOc1ccc(CN2CCC(c3cc4ncccc4[nH]3)CC2)cc1 19593690 KJEXISCSTGIFPG-UHFFFAOYSA-N 365.477 3.968 0 40 FHAB Cc1nnc(SCC(=O)Nc2nc(-c3cccs3)cs2)s1 19849946 SSLKTBFTRNWQLK-UHFFFAOYSA-N 354.507 3.762 0 40 FHAB CCCc1nnc(SCC(=O)Nc2ccc(Br)c(C)c2)o1 20033857 UGMSCFYFCOMYHV-UHFFFAOYSA-N 370.272 3.824 0 40 FHAB COc1cc(NC(=O)COc2ccccc2C)ccc1-c1ccc(CO)o1 20143773 XANUBGRHQCPKJJ-UHFFFAOYSA-N 367.401 3.773 0 40 FHAB CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccc(-n2ccnc2C)cc1 20491573 JGSHXDBESIZAGH-NRFANRHFSA-N 363.461 3.963 0 40 FHAB Cc1cnc(C(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cn1 21123569 ALWXOMSCSRADOK-INIZCTEOSA-N 374.444 3.871 0 40 FHAB CCCC(=O)NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1OC 21580194 BXXXPJCLBWEQNX-UHFFFAOYSA-N 368.462 3.852 0 40 FHAB COc1ccc(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1OC 21904203 UVEYJMQJLWJXQV-UHFFFAOYSA-N 371.477 3.739 0 40 FHAB Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)NCc1cn2ccccc2n1 25323971 BEDCBSDAIJUDDQ-UHFFFAOYSA-N 366.808 3.881 0 40 FHAB CCOc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)cc1OCC 25720697 UEPVIJALPKDXKY-OAHLLOKOSA-N 362.495 3.578 0 40 FHAB Clc1cccc(-c2nc(CSc3nnnn3Cc3ccco3)co2)c1 26119479 USHGAUSBQHTKBK-UHFFFAOYSA-N 373.825 3.915 0 40 FHAB CN(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(Cn2cccn2)cc1 26393311 ZMFUKOPMWJPMCN-UHFFFAOYSA-N 368.868 3.926 0 40 FHAB CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3C(C)(C)C)c2cccc(C)c21 32102831 YCSKIRZMYSOGLQ-HXUWFJFHSA-N 352.438 3.591 0 40 FHAB CCOc1cc(/C=C/C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)ccc1OC 32738314 CLUXQZRERSTJNH-WONIAPNHSA-N 365.433 3.861 0 40 FHAB Cc1oncc1C(=O)N1CCC(C(=O)Nc2cccc(C(C)C)c2)CC1 32816143 KNWCAGQPMUQDLB-UHFFFAOYSA-N 355.438 3.597 0 40 FHAB COc1ccc(OC)c([C@H](O)CNC(=O)Nc2cccc3ccccc23)c1 32912613 HGHOOPGERPOVTL-LJQANCHMSA-N 366.417 3.712 0 40 FHAB CCOc1ccc(NC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1 35288960 PKFWSGVUSHWEMP-UHFFFAOYSA-N 367.449 3.512 0 40 FHAB O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)NC1CCCCCC1 35312217 CBZLSZCLSGSOKG-UHFFFAOYSA-N 373.457 3.576 0 40 FHAB Cc1csc(NC(=O)COc2ccccc2-c2nc(C(C)C)no2)n1 35476152 GUMILKUYYUXIRZ-UHFFFAOYSA-N 358.423 3.642 0 40 FHAB C[C@H](C(=O)Nc1ccc(F)cc1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 36476285 GXTXENCFAPEGQS-CVEARBPZSA-N 369.440 3.503 0 40 FHAB Cc1nn(C)cc1-c1cc(C(F)(F)F)nc(NCCc2ccccc2)n1 36613629 LRQVUONKMFNBHX-UHFFFAOYSA-N 361.371 3.859 0 40 FHAB CCCc1ccc(C(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)cc1 36699969 FBZKRZYXQGRYDQ-JOCHJYFZSA-N 366.505 3.833 0 40 FHAB O=C(Cc1csc(-n2cccc2)n1)Nc1nc(-c2cccnc2)cs1 36708368 HBUAJBALDBEGJZ-UHFFFAOYSA-N 367.459 3.634 0 40 FHAB Cc1cc2c(cnc3ncnn32)c(=O)n1-c1ccc(Oc2ccccc2)cc1 38783887 MJQWQAOJPAVMBJ-UHFFFAOYSA-N 369.384 3.529 0 40 FHAB O=C(Cc1cccc(F)c1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 40081818 RRQOZBZQOGKDJC-HXUWFJFHSA-N 363.436 3.807 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)N(C)Cc1cccc(Cl)c1 40103990 JESPZAIVEIVYRY-UHFFFAOYSA-N 361.829 3.971 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCOc1cccc(Cl)c1 40113567 ACZPVRJCCSRJDL-UHFFFAOYSA-N 356.809 3.508 0 40 FHAB Cn1ccnc1COc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 40134899 HXFXLRSMUXXPPE-NYYWCZLTSA-N 351.381 3.790 0 40 FHAB O=C(c1[nH]c2ccccc2c1Cl)N1CCN(Cc2ccccc2)CC1 40142898 KCOVRMYNEQFFON-UHFFFAOYSA-N 353.853 3.779 0 40 FHAB O=C(Cn1ccc2c(Br)cccc21)N1CCc2ccccc21 40266510 HXFRQBFERSLPEY-UHFFFAOYSA-N 355.235 3.993 0 40 FHAB COC(=O)[C@H](NC(=O)c1cc2sccc2n1Cc1ccccc1)C(C)C 40809193 IUWYSURXAIAHLJ-GOSISDBHSA-N 370.474 3.679 0 40 FHAB CSc1nccn1-c1ccc(C(=O)Nc2nnc(C(C)C)s2)cc1 44368419 QQGCJWAVKBZDDH-UHFFFAOYSA-N 359.480 3.821 0 40 FHAB CC1CCN(Cc2ccc(C(=O)NCCCN3CCCCC3)cc2)CC1 44908116 GJJLZKQEECKKFS-UHFFFAOYSA-N 357.542 3.524 0 40 FHAB CCOC(=O)c1cccc(NC(=O)c2ccc(Cn3ccnc3)cc2)c1C 44911726 SBURKYSXJQAYHS-UHFFFAOYSA-N 363.417 3.669 0 40 FHAB O=C(CCC(=O)N1CCC[C@H]1c1ccsc1)c1ccc2c(c1)OCCO2 46911521 XRHJPMVVQLEAJD-INIZCTEOSA-N 371.458 3.846 0 40 FHAB O=C(N[C@@H](c1cccs1)C1CCCC1)c1c[nH]c(C(=O)N2CCCC2)c1 48234715 HZXSNBRXVQCMBR-GOSISDBHSA-N 371.506 3.974 0 40 FHAB CCOC(=O)c1sc2nc(C)nc(NCc3ccccc3CO)c2c1C 49979972 MBKQGLWXFTXTRG-UHFFFAOYSA-N 371.462 3.589 0 40 FHAB Cc1ccc(-n2nnc(C(=O)N3CCc4ccccc4C3)c2C)cc1Cl 51317424 MHOFBQULEHBSDH-UHFFFAOYSA-N 366.852 3.736 0 40 FHAB CN(CCNC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)Cc1ccccc1 54761770 MWSPFSWORZCJRX-JKSUJKDBSA-N 357.420 3.539 0 40 FHAB CC(=O)Nc1cccc2c1CCN(C(=S)Nc1ccc(C(C)=O)cc1)C2 54998885 SVKFYEILZSBUOQ-UHFFFAOYSA-N 367.474 3.603 0 40 FHAB CCOc1ccc(N2C[C@@H](C(=O)Oc3c(C)cccc3C)CC2=O)cc1 58023033 AOUQTNSXCBPWHR-INIZCTEOSA-N 353.418 3.661 0 40 FHAB O=C(c1cc(Cl)cc2cccnc12)N1CCC(N2CCCCC2)CC1 58194290 SIMBSAAZTMXABL-UHFFFAOYSA-N 357.885 3.979 0 40 FHAB C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 58413057 PNEUVKBFAHKIQB-WHOFXGATSA-N 355.887 3.577 0 40 FHAB C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 58418613 XHVNMFZFUJMEHZ-DOTOQJQBSA-N 372.465 3.508 0 40 FHAB COC(=O)C1=C(c2ccc(Cl)cc2)Nc2ncnn2[C@@H]1c1ccccc1 59227861 IRMZZIILFPVGDM-QGZVFWFLSA-N 366.808 3.531 0 40 FHAB CC(=O)Nc1ccc(C)c(NC(=O)c2ccc3c(O)[nH]c(=S)nc3c2)c1 63810149 YIANAXFFZRHZGV-UHFFFAOYSA-N 368.418 3.517 0 40 FHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@@H]1CCN(CC(F)(F)F)C1 71845409 MXUDOAKPRBFVLS-OCCSQVGLSA-N 373.419 3.537 0 40 FHAB CC(C)(C)Cc1cc(NC(=O)c2ccc(-c3cccs3)[nH]c2=O)[nH]n1 72295848 OWCLABHRSNMZMX-UHFFFAOYSA-N 356.451 3.667 0 40 FHAB CCOc1ccc(NC(=O)COC(=O)c2cc(F)ccc2Cl)cc1 72330079 NLKILXNFIQQVSC-UHFFFAOYSA-N 351.761 3.673 0 40 FHAB O=C(c1ccc2ncccc2c1)N1CCC(n2c(=O)oc3ccccc32)CC1 72347848 CAHUWQDSVRMXQA-UHFFFAOYSA-N 373.412 3.620 0 40 FHAB C[C@@H]1CN(CCCCNC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 75110084 XTLCTTFSOAVKJS-ZIAGYGMSSA-N 373.419 3.716 0 40 FHAB CC(C)(C)OC(=O)NC[C@H]1CCCN1c1ccnc(-c2ccccc2)n1 78968024 LIKPGVJSMJFQFJ-MRXNPFEDSA-N 354.454 3.637 0 40 FHAB CCOC(=O)c1ccc(C(=O)c2ccc(CN3CCSCC3)cc2)cc1 85651241 PRIGICDPPNSPBG-UHFFFAOYSA-N 369.486 3.643 0 40 FHAB CN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)[C@H]1CCSC1 89694689 YZFZMZLVQBURRL-INIZCTEOSA-N 372.538 3.546 0 40 FHAB Cc1cc(C)cc(Oc2ccc(NC(=O)[C@@H](C)N3C(=O)CCC3=O)cc2)c1 95364908 NZYDYVZQGSLZPT-OAHLLOKOSA-N 366.417 3.572 0 40 FHAB CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)[C@@H]1C[C@H](C(C)(C)O)C(=O)O1 95627578 ONTNQSPOVPJIPN-XHSDSOJGSA-N 369.502 3.553 0 40 FHAB C[C@H]1CN(C(=O)c2ccc(CN[C@@H]3CCCC[C@@H]3C3CC3)cc2)C[C@@H](C)O1 96003155 MCRIAALTXYIHNB-WOSNLTMFSA-N 370.537 3.994 0 40 FHAB COc1cccc2cc(C(=O)NC[C@@](C)(OC)c3ccccc3F)oc12 96123501 QRAMWVGJTSGJPK-HXUWFJFHSA-N 357.381 3.872 0 40 FHAB O=C(NCCc1cccnc1)c1ccc2onc(-c3coc(C4CC4)n3)c2c1 96154292 AQOZTEUTXAESRB-UHFFFAOYSA-N 374.400 3.728 0 40 FHAB COc1ccccc1-c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 96327028 YSQDSAULSHMMRP-KRWDZBQOSA-N 371.433 3.883 0 40 FHAB CC(C)CN1CCCC[C@H]1CNC(=O)Nc1cccc(OCCF)c1 97164743 GHOOWZMHDTUXTP-KRWDZBQOSA-N 351.466 3.667 0 40 FHAB O=C(Cn1cccc1-c1nc(-c2ccccc2)no1)Nc1ccc(F)cc1 98211319 DRXQSDXPAHMDQQ-UHFFFAOYSA-N 362.364 3.983 0 40 FHAB COc1ccccc1CN(C(=O)C1[C@@H]2CCCC[C@@H]12)C1CCN(C)CC1 100773956 LLMXNIHECUUSQX-RTBURBONSA-N 356.510 3.554 0 40 FHAB CCc1nn2c(O)cc([C@H](C)Cn3nccc3C)nc2c1-c1ccccc1 100775860 GAZZAXUYJJDZJH-CQSZACIVSA-N 361.449 3.973 0 40 FHAB Cc1nnc(NC(=O)C2C[C@@H]3CCC[C@@H](C2)C32SCCS2)s1 102905732 RNNQBFHJSSSTQO-RYUDHWBXSA-N 355.554 3.788 0 40 FHAB CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2cccc(OC)c2)cc1 219305641 UBUJWDCMPJYVFW-MRXNPFEDSA-N 357.450 3.610 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1C 222717994 OKFQIOULRMVNAH-HZPDHXFCSA-N 355.434 3.719 0 40 FHAB Cc1ccc(OCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c(C)c1 222831277 YXRBKHZVKSISRQ-UHFFFAOYSA-N 368.477 3.794 0 40 FHAB C[C@@H]1CCc2nc(NC(=O)C[C@@H](CC(=O)O)c3cccs3)sc2C1 223110968 XCKGYPDIRDRVHH-MNOVXSKESA-N 364.492 3.917 0 40 FHAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccco2)cc1 223407768 HFXNODBAXZXJRA-RTBURBONSA-N 365.458 3.856 0 40 FHAB Cc1cccc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)c1 224110902 VAFSCKKYSAJPRA-LJQANCHMSA-N 366.505 3.727 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 224666385 AIQRJXBHVAPJRV-MRXNPFEDSA-N 372.896 3.826 0 40 FHAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 225184621 VRGMLUJHALHLIJ-KRWDZBQOSA-N 370.518 3.641 0 40 FHAB CCOc1ccc(NC(=O)C2(C)COC(c3ccc(OC)cc3)OC2)cc1 225916531 HIJGNGNWSRVTMK-UHFFFAOYSA-N 371.433 3.784 0 40 FHAB O=C(NCCSC1CCOCC1)c1ccc(Oc2nccs2)cc1 238871313 MYZLHCWXHHZSIL-UHFFFAOYSA-N 364.492 3.577 0 40 FHAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@]2(O)CCC(=O)O 252445502 QIZQZYDEIVNNAA-IGUHIKQPSA-N 362.510 3.906 0 40 FHAB Cc1ncc2cncc(C3CCN(C(=O)c4ccc5ccccc5n4)CC3)n12 257222997 DVKOVVQVWNSYBL-UHFFFAOYSA-N 371.444 3.606 0 40 FHAB CNc1cc([C@@H]2CCCN2C(=O)c2c[nH]c3ccc(OC)cc23)ccn1 257306712 SVMIYEVPUZYLIG-SFHVURJKSA-N 350.422 3.591 0 40 FHAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3CCOC)N21 260769238 KQIOUSLLFDFHEI-JLSDUUJJSA-N 356.495 3.509 0 40 FHAB O=C(NCc1cccc2ccccc12)Nc1cnn(C[C@H]2CCCCO2)c1 390829351 YAMHUAKOKGEMDT-LJQANCHMSA-N 364.449 3.927 0 40 FHAB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)C(C)C)cc3O)oc2c1 408628576 VALAYYNPLKTQLB-UHFFFAOYSA-N 369.446 3.978 0 40 FHAB O=C(CC1(Cn2cccc2)CCCCC1)Nc1ccc2nc(CO)[nH]c2c1 524733885 ZMYCXUAMQBGVKF-UHFFFAOYSA-N 366.465 3.836 0 40 FHAB Cc1c(C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)oc2c1ccc1ccccc12 554754860 OOUFQDYNAYAXTQ-ROUUACIJSA-N 362.429 3.778 0 40 FHAB O=C(c1snnc1C1CC1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 556805357 UVOCCFBDEGMDLG-CQSZACIVSA-N 353.451 3.659 0 40 FHAB O=C(c1nc2ccccc2s1)N1CC[C@H](Oc2ccncc2Cl)C1 575413860 GSGJLUBIJMUUBQ-NSHDSACASA-N 359.838 3.638 0 40 FHAB CCOc1ccc(C(=O)N2CCc3ncc(-c4ccccc4)n3CC2)cc1 585111370 QRFNGKWPWRNSFZ-UHFFFAOYSA-N 361.445 3.647 0 40 FHAB O=C(O)[C@@H]1[C@@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]21 616577618 JKXFSIRXKZELBS-QWFCFKBJSA-N 363.413 3.588 0 40 FHAB O=C(c1ccnc(-c2ncc[nH]2)c1)N(Cc1ccccc1F)CC1CC1 618968598 JYDQECHHBRLQHA-UHFFFAOYSA-N 350.397 3.663 0 40 FHAB O=C(NCC1(c2ccccc2)CCOCC1)N[C@H]1CCc2c(F)cccc21 619391724 CHNBSYLUFPUQAW-FQEVSTJZSA-N 368.452 3.861 0 40 FHAB Cc1ccccc1[C@H](NC(=O)c1cc(C(F)(F)F)cnc1O)C1CC1 635553539 FHYDMDFMGMFPDF-OAHLLOKOSA-N 350.340 3.996 0 40 FHAB Cc1cccc(OCc2nnc(S[C@@H](C)C(=O)O)n2-c2ccccc2)c1 916856 CROFBTSYMPSDOM-AWEZNQCLSA-N 369.446 3.720 0 40 FHAB O=C(Nc1ccccc1)c1ccccc1OS(=O)(=O)c1ccccc1 1852760 FVJJLSGKGMBLNS-UHFFFAOYSA-N 353.399 3.707 0 40 FHAB Nc1c(C(=O)NCc2ccc(F)cc2)sc(=S)n1-c1ccccc1 2231757 DCLXVSOGGUVFDR-UHFFFAOYSA-N 359.451 3.920 0 40 FHAB CSc1nc(NN)c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4 2383730 ICLIUDUKRCBNGL-UHFFFAOYSA-N 359.524 3.934 0 40 FHAB CC[C@H]1CCc2c(sc3ncn4nc(-c5ccn(CC)n5)nc4c23)C1 2803884 JWEDJDKIPWCYMD-NSHDSACASA-N 352.467 3.737 0 40 FHAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1ccc2c(c1)OCO2 3251425 LSQRRGUKOHIVMT-CYBMUJFWSA-N 355.390 3.724 0 40 FHAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 4385199 YBOKBRAOYKBGBK-INIZCTEOSA-N 352.434 3.694 0 40 FHAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccccc3)o2)C1=O 4658911 MMHSXSIQKDMWQU-MHWRWJLKSA-N 371.414 3.935 0 40 FHAB COc1ccccc1NC(=O)c1nnn(-c2ccc(C)c(Cl)c2)c1C 4938460 AZFULUHEAGOSKP-UHFFFAOYSA-N 356.813 3.798 0 40 FHAB Cc1ccc(N(C(=O)c2ccccc2C)[C@@H]2C=CS(=O)(=O)C2)cc1C 5071189 MVGQUEOGZNZEQO-GOSISDBHSA-N 355.459 3.569 0 40 FHAB CCn1c(Cc2ccccc2)nnc1SCc1ccc(C(=O)OC)cc1 5430294 BABLITBQNZVPOX-UHFFFAOYSA-N 367.474 3.968 0 40 FHAB COC(=O)c1ccccc1[C@@H]1CN=N[C@]12Cc1ccc3c(c1C2=O)CCC3 5539838 BOTBPMPLRZLKRF-PGRDOPGGSA-N 360.413 3.689 0 40 FHAB CCN(CC)CCN(Cc1ccccc1)C(=S)NC(=O)c1ccccc1 5572635 UYSJKNPEQDSIDR-UHFFFAOYSA-N 369.534 3.545 0 40 FHAB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(=O)ccc3c2)cc1C 6546727 VFIGKWPPERXGGD-UHFFFAOYSA-N 352.415 3.537 0 40 FHAB C[C@@H]1CCC[C@@H](NC[C@H](O)COCCOc2ccc(Cl)cc2)[C@@H]1C 6640855 OSISLWGQAJWPLM-IIHSZXCVSA-N 355.906 3.511 0 40 FHAB CCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@H]1c1ccc(O)cc1 6747878 ISENWSDWPVRDLX-HXUWFJFHSA-N 363.417 3.746 0 40 FHAB COc1ccc(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1OC 7361007 BBIJIYMOWLYMPR-UHFFFAOYSA-N 365.451 3.637 0 40 FHAB CC(C)(C)OC(=O)NCCC(=O)OCc1csc(-c2ccccc2)n1 7628447 BSYFUINUCISYBM-UHFFFAOYSA-N 362.451 3.768 0 40 FHAB Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c1 7633151 ATURPQITIMNDRA-PMRDEQMMSA-N 357.450 3.569 0 40 FHAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(C)c(F)c1 8083342 YSOIWWOPFHGOOR-QGZVFWFLSA-N 360.454 3.624 0 40 FHAB C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1cccc(Cl)c1 8341150 CLRSDTFTBJPQIC-LBPRGKRZSA-N 367.854 3.541 0 40 FHAB O=c1ccn(/C=C(/c2ccccc2)[S@](=O)Cc2ccccc2)c(=S)[nH]1 8665324 PEIXJCIIORKYCP-KZRCSOKUSA-N 368.483 3.810 0 40 FHAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 8726481 WHOUDAGLWNCQGB-XSXQVXRUSA-N 350.462 3.587 0 40 FHAB Cc1cc(C)n(-c2ccc(SCc3nc(-c4cccs4)no3)nn2)n1 8753339 OIFMAIHMTFHTAF-UHFFFAOYSA-N 370.463 3.683 0 40 FHAB COc1ccc(/C=C2\CCn3c2nc2ccc(Cl)cc2c3=O)cc1O 9451667 YRTOCLYIGQIQLN-XYOKQWHBSA-N 354.793 3.708 0 40 FHAB Cn1c(=O)sc2cc(NC(=O)c3ccccc3Br)ccc21 9587386 DGEIFDXGZPQPPP-UHFFFAOYSA-N 363.236 3.615 0 40 FHAB CC(C)CNC(=O)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1 9625760 JYZQBRVKTUOZBL-UHFFFAOYSA-N 366.874 3.755 0 40 FHAB O=C(COc1ccccc1)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 9764294 HCUYWNSUQZONJY-LJQANCHMSA-N 359.853 3.927 0 40 FHAB COc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C)c2)[nH]1 10475492 KYGSPOVUOFVUGR-UHFFFAOYSA-N 354.435 3.520 0 40 FHAB O=C(/C=C/c1ccccc1OC(F)F)Nc1ccc(C(=O)NC2CC2)cc1 10912718 PVQVITGYQVSJIZ-KPKJPENVSA-N 372.371 3.832 0 40 FHAB CN(Cc1cccc(F)c1)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 11334233 VZJOFWMTMHANHI-UHFFFAOYSA-N 367.399 3.911 0 40 FHAB CSc1ccc(NC(=O)CCCn2cnc3c(C)cccc3c2=O)cc1 12040570 LOFBPDKCGXHKID-UHFFFAOYSA-N 367.474 3.846 0 40 FHAB C[C@H](NC(=O)[C@@H]1CCCN(c2nc3ccccc3n2C)C1)c1ccccc1 12145808 KQOGQNHCCYUNTL-FUHWJXTLSA-N 362.477 3.667 0 40 FHAB COC(CNCc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1)OC 12585717 XMLBPCMXOQOFDR-UHFFFAOYSA-N 371.868 3.901 0 40 FHAB C[C@H]1Cc2ccccc2N1Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 13135978 YOEGERCJLNWCLX-NSHDSACASA-N 359.351 3.893 0 40 FHAB c1ccc(OCc2nn3c(-c4ccc5ccccc5n4)nnc3s2)cc1 13693468 LFYFXCWELRQOCU-UHFFFAOYSA-N 359.414 3.980 0 40 FHAB COc1cccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c1O 13881450 AEOOLSCXUXAGAW-DHDCSXOGSA-N 359.378 3.776 0 40 FHAB C[C@H](NCC(=O)NCCc1nc2ccccc2s1)c1ccccc1Cl 14075444 ZCXWCLUJDGCVDL-ZDUSSCGKSA-N 373.909 3.959 0 40 FHAB Oc1nc(CN2CCC(OCc3ccccc3)CC2)nc2ccsc12 14076613 QJPXVMFZRSPFNC-UHFFFAOYSA-N 355.463 3.578 0 40 FHAB Cc1c(Cl)c(CN2C(=O)NC3(CCCCC3)C2=O)nc2ccccc12 14201456 GVAVSDUFYUKCKT-UHFFFAOYSA-N 357.841 3.951 0 40 FHAB CC[C@@H](OC(=O)c1ccc2c3c(cccc13)CC2)C(=O)Nc1cc(C)on1 14703034 MPFWRSIFBJJRSB-QGZVFWFLSA-N 364.401 3.809 0 40 FHAB CCN(CC)c1ccc(NC(=O)Cc2ccc(OC)c(OC)c2OC)cc1 15577634 VBTIVJAYYCHMSR-UHFFFAOYSA-N 372.465 3.740 0 40 FHAB Cc1cc(C)cc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)c2)c1 15882953 APNADOLUCALHEG-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB COc1ccc(C(=O)[C@H](C)n2cc(-c3ccc(F)cc3)[n+]3c2CCC3)cc1 16995501 AMTYUPTVHGATDY-HNNXBMFYSA-N 365.428 3.980 0 40 FHAB Cc1cc(C)nc(N2CC[C@@H](c3cc(COc4ccc(F)cc4)[nH]n3)C2)n1 19704519 IHMVIHAKCCXITC-OAHLLOKOSA-N 367.428 3.529 0 40 FHAB Cc1cccc(-n2ncc3c2N=C(O)C[C@]32C(=O)Nc3ccccc32)c1C 20745329 QKABRLNILOLLOK-OAQYLSRUSA-N 358.401 3.719 0 40 FHAB O[C@](/C=C/c1ccc(Br)cc1)(Cn1ccnc1)c1ccccn1 22115063 HWVCWHYWRZUVID-GFOMBABLSA-N 370.250 3.642 0 40 FHAB COc1cc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)ccc1OC(C)C 22642701 RMGGMUZUZVGWRD-UHFFFAOYSA-N 368.433 3.644 0 40 FHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCCSc2ccccc21 23228236 WIYGROVLTQURAF-UHFFFAOYSA-N 361.488 3.541 0 40 FHAB c1ccc(-c2nc(N3CCCNCC3)c3oc(-c4ccccc4)nc3n2)cc1 27985466 SFTOJSVFLJAZCD-UHFFFAOYSA-N 371.444 3.752 0 40 FHAB CSc1ncc(Cl)c(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)n1 29600730 IWDRQGABPZPJBH-SSDOTTSWSA-N 354.888 3.686 0 40 FHAB O=C(Cc1csc(NC(=O)Cc2cccs2)n1)Nc1ccccc1 31553529 ZQNNEDGGMKZTJR-UHFFFAOYSA-N 357.460 3.567 0 40 FHAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc(Cl)c2ncccc12 32909744 DMJZFBPDJTZNEF-UHFFFAOYSA-N 354.719 3.742 0 40 FHAB CCc1sc(C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1C 32924627 AVADXZXPWQEXIY-UHFFFAOYSA-N 362.539 3.920 0 40 FHAB O=C(CSc1nnnn1C1CCCC1)c1sccc1Br 36882357 JVMLWQVBRIEPNZ-UHFFFAOYSA-N 373.301 3.587 0 40 FHAB CC[C@@H](C(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1ccccc1 40047323 WLEVUCCJJYBEIV-HXUWFJFHSA-N 356.510 3.821 0 40 FHAB COc1ccc(C2=CCN(C(=O)c3ccc(Br)o3)CC2)cc1 40122417 GJIOYFILQUIJPE-UHFFFAOYSA-N 362.223 3.980 0 40 FHAB CC(C)c1ccc(OCCOC[C@H](O)Cn2cnc3ccccc32)cc1 40373379 LYWPFUOKWMDXML-GOSISDBHSA-N 354.450 3.616 0 40 FHAB CC(C)c1ccc(-c2noc(CCC(=O)N3CCO[C@@H]4CCC[C@H]43)n2)cc1 53382982 JKCLLZDBHDNLQW-QZTJIDSGSA-N 369.465 3.573 0 40 FHAB COc1ccccc1N(C)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 55743214 POXJUHJESKCEBF-UHFFFAOYSA-N 363.339 3.727 0 40 FHAB O=C(O)CCCC(=O)N1N=C(c2ccsc2)C[C@H]1c1ccc(F)cc1 58161640 HNNVNDYEEXQXGE-INIZCTEOSA-N 360.410 3.820 0 40 FHAB COCc1ccccc1C(=O)NCCCC(=O)Nc1ccc(Cl)cc1 58163000 SOYPSGJAADFKMW-UHFFFAOYSA-N 360.841 3.635 0 40 FHAB CCSc1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cn1 58438147 CJEARFCKUAJXLI-MRXNPFEDSA-N 361.442 3.938 0 40 FHAB O=C(/C=C/c1ccc(Cl)cc1Cl)N[C@H](Cc1ccccc1)C(=O)O 62715118 HOYQXJSNGRQLPQ-MNDMWVCDSA-N 364.228 3.819 0 40 FHAB CCOc1ccc(C(=O)Nc2nc(-c3cccc(OC)c3)ns2)cc1 72238422 ANSGXPFEOOLQQQ-UHFFFAOYSA-N 355.419 3.865 0 40 FHAB O=C(COC(=O)c1cc(F)ccc1Cl)NCc1ccccc1Cl 72330082 QPXJTTPSUZOSFT-UHFFFAOYSA-N 356.180 3.606 0 40 FHAB Cc1nnc(C2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)s1 75149266 LNTAINWPJAEVIL-UHFFFAOYSA-N 352.463 3.657 0 40 FHAB Cc1cc(C)n(-c2cncc(N[C@@H]3CCCC[C@H]3OC3CCCC3)n2)n1 89595901 JYOVJNOIRGKLQG-QZTJIDSGSA-N 355.486 3.961 0 40 FHAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC(N2CCCC2=O)CC1 90602773 BJHKEDXAMZUCAU-UHFFFAOYSA-N 362.473 3.510 0 40 FHAB COc1ccc(OCCc2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 95116480 FGDNPFAVPFFFFD-UHFFFAOYSA-N 369.446 3.729 0 40 FHAB COc1ccc(NC(=O)N[C@@H]2CCCc3cn(CC(F)(F)F)nc32)cc1 96002682 AADTXBXMAWAUFA-CQSZACIVSA-N 368.359 3.653 0 40 FHAB Cc1cc(C(=O)NC[C@@H](C)c2ncc(C)s2)c2cnn(C(C)C)c2n1 96014066 KWZFFSFZTSJYPS-LLVKDONJSA-N 357.483 3.619 0 40 FHAB Cc1ccc(NC(=O)c2ccc3nnc4nc(C)n(C(C)C)c4c3c2)cn1 96146660 ISILCNCLWZLSLP-UHFFFAOYSA-N 360.421 3.825 0 40 FHAB Cc1noc(C)c1CCc1cc(O)n2nc(-c3cccs3)c(C)c2n1 100776375 LTOBTKLGFRETHX-UHFFFAOYSA-N 354.435 3.862 0 40 FHAB O=c1[nH]c2c(c(=O)[nH]1)[C@H](c1cccc3ccccc13)C=C(c1ccccc1)N2 100942079 AUTFNXLFUKNTNR-SFHVURJKSA-N 367.408 3.815 0 40 FHAB COc1cccc(C2=C[C@H](c3ccccc3OC(F)F)n3ncnc3N2)c1 101514284 SLVLFTQDIGXTFQ-MRXNPFEDSA-N 370.359 3.944 0 40 FHAB Cc1ccc(NC(=O)c2nnc(COC(=O)[C@H]3C[C@H]4CC[C@H]3C4)s2)cc1 105664645 TXWCMKROZVSAGE-YDHLFZDLSA-N 371.462 3.578 0 40 FHAB Cc1cc(C)cc(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c1 113968123 SMGVOUXZYIQDAV-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB CN(c1ccc(C(=O)Nc2cccc(Cl)c2)c(Cl)c1)S(C)(=O)=O 222508186 CQRZTBXHTLTVHU-UHFFFAOYSA-N 373.261 3.642 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1cc(C)ccc1C 222975862 LRQAHYQJRXQNQR-KRWDZBQOSA-N 370.468 3.538 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)NCCOc1cccc2ccccc12 223556019 MDMJGCNJFSQVJC-MRXNPFEDSA-N 365.429 3.811 0 40 FHAB Cc1cccc(NC(=S)NCC2(c3ccc(F)cc3)CCOCC2)n1 224024889 QVRRFQPMZNJPDB-UHFFFAOYSA-N 359.470 3.564 0 40 FHAB CCc1ccc(OCCNC(=O)[C@H](CC)Oc2cccc(OC)c2)cc1 224464428 GNKWWLFLIZLLMJ-FQEVSTJZSA-N 357.450 3.610 0 40 FHAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCCN(C)C)cc1 225738930 WEKBVPDVEJAPIB-FQEVSTJZSA-N 350.503 3.941 0 40 FHAB CCC[C@H](C)NC(=O)c1snnc1-c1ccc(Br)cc1 225785873 RPWCVXACLAIVPT-VIFPVBQESA-N 354.273 3.886 0 40 FHAB O=C(Nc1ccccc1)N1CC[C@H](Oc2ncccc2Br)C1 238974879 ZSRQAYNRHFVYON-ZDUSSCGKSA-N 362.227 3.529 0 40 FHAB Cn1cnnc1[C@H]1CCCN1Cc1ccc(-c2ccccc2C(=O)O)cc1 257219995 DJDFUNNDHJBLSI-LJQANCHMSA-N 362.433 3.517 0 40 FHAB Cc1nc(CN2CCN(C)C[C@H](Cc3cncc4ccccc34)C2)cs1 257256496 KLSPTGZYCHNXME-KRWDZBQOSA-N 366.534 3.606 0 40 FHAB CC[C@@H](O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1[S@@]2=O 504009040 VGGVFHIGFNOLIM-CJAUYULYSA-N 358.507 3.700 0 40 FHAB in-vitro Cc1cc(C(=O)NC[C@H]2CCC[C@@H]2c2ccccc2)n(C2CCOCC2)n1 529442502 MEVCFXTVKHDTCA-UYAOXDASSA-N 367.493 3.857 0 40 FHAB COc1ccc2c(c1F)CC[C@H]2NC1CCN(c2cccc(C)n2)CC1 585083694 OAOLHLNSSQCAED-GOSISDBHSA-N 355.457 3.784 0 40 FHAB Cc1cc(C)nc(C(=O)N2CCc3[nH]nc(-c4ccccc4C)c3CC2)c1 585110439 WGQMAKXNLHYROD-UHFFFAOYSA-N 360.461 3.638 0 40 FHAB Cc1cc(C)n([C@H](CNC(=O)CSc2ccc(F)cc2)c2ccco2)n1 585368496 YCIPJIHKSXUWKT-QGZVFWFLSA-N 373.453 3.730 0 40 FHAB O=C(N=c1cc[nH]cc1F)N1CCC(CCc2ccc(F)cc2F)CC1 654025917 UIIWWDBQOHSWEB-UHFFFAOYSA-N 363.383 3.798 0 40 FHAB O=C(O)CC1(NCc2csc(-c3ccc(Cl)cc3)n2)CCOCC1 662213119 SZSYXQYWLRBKHM-UHFFFAOYSA-N 366.870 3.577 0 40 FHAB C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2ccc(F)c(C(N)=O)c2)C1 672633194 KPSYFOJYYDVZJV-UGSOOPFHSA-N 355.413 3.930 0 40 FHAB Fc1ccc2nc(N3CC[C@@H](COc4cc5c(nn4)CCC5)C3)sc2c1 1888914254 NNABJTYBGZSQPM-GFCCVEGCSA-N 370.453 3.619 0 40 FHAB O=C([C@@H]1CCCN(c2nccc3sccc23)C1)N1CCC(F)(F)CC1 2298200116 AJFWBHQWXNQEPN-CYBMUJFWSA-N 365.449 3.770 0 40 FHAB O=C(N[C@@H](Sc1ncccn1)C(Cl)(Cl)Cl)c1ccccc1 820550 FTFXTRXYVRTTJJ-NSHDSACASA-N 362.669 3.695 0 40 FHAB CNC(=S)N(Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 884557 XQOJEQNDOUZPMJ-UHFFFAOYSA-N 371.531 3.713 0 40 FHAB COc1cccc(Oc2c(C)oc3cc(O[C@@H](C)C(=O)O)ccc3c2=O)c1 941309 HLUORTAUZUVICU-LBPRGKRZSA-N 370.357 3.754 0 40 FHAB CC(C)COC(=O)[C@@H](C)n1cnc2sc(-c3ccccc3)cc2c1=O 954143 XIPNHOCQEBDDEU-CYBMUJFWSA-N 356.447 3.885 0 40 FHAB O=C(NCCc1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 1379480 RCWRLQDTAQGUSZ-GOSISDBHSA-N 371.868 3.695 0 40 FHAB CCOC(=O)c1ccccc1NCc1cc(=O)oc2cc(OC)ccc12 2119587 YQTZXJVHRAWKEB-UHFFFAOYSA-N 353.374 3.590 0 40 FHAB biogenic CCOC(=O)COc1cc2occ(-c3nc(C)cs3)c(=O)c2cc1CC 2126315 WPOLQKXYWKCCED-UHFFFAOYSA-N 373.430 3.729 0 40 FHAB biogenic COCCNc1ncnc2c1oc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 2324798 FAXUYXSDWOCCSQ-UHFFFAOYSA-N 370.453 3.804 0 40 FHAB Fc1ccc(-c2nn3c([C@@H]4COc5ccccc5O4)nnc3s2)cc1 2357155 CCWFGRSYZMQDGC-AWEZNQCLSA-N 354.366 3.504 0 40 FHAB NC(=O)COC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12 3245802 LDUPDZUWKGOTPF-UHFFFAOYSA-N 356.381 3.697 0 40 FHAB CC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 3402231 ZOMVYVFFNIEURG-CYBMUJFWSA-N 360.527 3.786 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(Br)cc2F)c1C 3404181 BPVBXIHRTDPZRI-UHFFFAOYSA-N 368.202 3.997 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)CSc1nncn1-c1ccccc1 3416362 AXDCTGAURABVQY-UHFFFAOYSA-N 358.854 3.960 0 40 FHAB CN(C(=O)CSc1nnc(NCc2ccccc2)s1)c1ccccc1 3477337 VUWADJDGSCPWQF-UHFFFAOYSA-N 370.503 3.905 0 40 FHAB COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(Cl)cc2)C(C)C)cc1 3549249 LSBVWHSVQVXIDN-KRWDZBQOSA-N 360.841 3.742 0 40 FHAB COC(=O)c1ccc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1 4224143 LQXUIKWNKIEADQ-UHFFFAOYSA-N 366.398 3.741 0 40 FHAB Cc1cccc(C(=O)Oc2coc(CSc3nccc(C)n3)cc2=O)c1 4377170 KXTWUCNBJLDRHW-UHFFFAOYSA-N 368.414 3.558 0 40 FHAB CCc1ccc(-c2csc(NC(=O)[C@@H](C)Sc3ncn[nH]3)n2)cc1 5736678 CRNFKPYVLHRFSJ-SNVBAGLBSA-N 359.480 3.610 0 40 FHAB Cc1ccc(/C=C/C(=O)N2CCN(C(=O)/C=C/c3ccc(C)cc3)CC2)cc1 6009046 RMUAJVCGJDQETR-PHEQNACWSA-N 374.484 3.701 0 40 FHAB Cc1nc(NC[C@@H]2COc3ccccc3O2)c2c3c(sc2n1)CCC3 6049460 KQAXVTIAUNIGHV-GFCCVEGCSA-N 353.447 3.740 0 40 FHAB CCn1cc(C(=O)Nc2ccn(C34CC5CC(CC(C5)C3)C4)n2)c(C)n1 6490241 MUQFZHNOASEKMD-UHFFFAOYSA-N 353.470 3.586 0 40 FHAB COc1cccc(/C=C/C(=O)N(CC(F)(F)F)[C@@H](C)C2CC2)c1OC 6880364 DKGIROLBPOWCCK-VMPCVLLUSA-N 357.372 3.906 0 40 FHAB Cc1cc(C)cc(-c2nnc(SCC(=O)N(C)Cc3ccco3)o2)c1 7160267 ODLXIMGZNOCMLO-UHFFFAOYSA-N 357.435 3.697 0 40 FHAB O=C(COC(=O)c1cc2cc(Cl)ccc2o1)c1ccc2c(c1)OCO2 7378786 ATAAKNXZKBBQHH-UHFFFAOYSA-N 358.733 3.855 0 40 FHAB CCOC(=O)c1c(CSc2cccc[n+]2[O-])nc2ccccc2c1C 7507514 BUEBPBJUDRFGTN-UHFFFAOYSA-N 354.431 3.646 0 40 FHAB COc1cccc(CNC(=O)COC(=O)c2sc3ccccc3c2C)c1 7567981 UMBKCNOSPDBMMR-UHFFFAOYSA-N 369.442 3.692 0 40 FHAB Cc1nc(N[C@H](C)[C@@H](O)c2ccc(O)cc2)c2c3c(sc2n1)CCC3 7982116 IHCLNKPTUVOKJI-BMLIUANNSA-N 355.463 3.728 0 40 FHAB CCC[C@H](C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)c1ccccc1 8087612 ALARDFDTWSOCSK-IBGZPJMESA-N 374.506 3.896 0 40 FHAB CN(c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)S(C)(=O)=O 8091315 CYRSZXOGKVNBEW-UHFFFAOYSA-N 373.261 3.642 0 40 FHAB Cc1cc(SCCC(=O)Nc2ccc3c(c2)OCCO3)nc(C(C)C)n1 8734640 MFQOSMLEGOBLCE-UHFFFAOYSA-N 373.478 3.801 0 40 FHAB CCOc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1 8959383 DGJMTTXGLTWAGZ-UHFFFAOYSA-N 368.433 3.719 0 40 FHAB COC(=O)[C@@H](Sc1nnc(C)n1-c1cccc(C)c1)c1ccccc1 9154940 RNQYEZXFETUZRT-KRWDZBQOSA-N 353.447 3.891 0 40 FHAB COc1ccccc1CN(C)CC(=O)Nc1ccccc1Br 9445991 OROCBSDMKNJMRD-UHFFFAOYSA-N 363.255 3.528 0 40 FHAB Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1NS(C)(=O)=O 10314946 YXDCEMCYJAVETQ-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB Cn1c(SCC(=O)c2ccc(F)c(F)c2)nnc1-c1cccs1 10709514 HPHZOPFGJZABDX-UHFFFAOYSA-N 351.403 3.797 0 40 FHAB C[C@H](OC(=O)[C@H]1Oc2ccccc2O[C@H]1C)C(=O)c1c[nH]c2ccccc12 10954570 YRRDNRIGESUULH-QAJFTPDKSA-N 365.385 3.511 0 40 FHAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccccc3F)ccc21 10972202 BCTGAZPGWNBINR-UHFFFAOYSA-N 356.397 3.850 0 40 FHAB Cc1ccc(CNC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)cc1F 11052967 KAOYHIZKOBDROB-CQSZACIVSA-N 355.409 3.828 0 40 FHAB CCCCC(=O)Nc1cc(-c2cn3nc(OC)ccc3n2)ccc1OC 11693447 LQYSLLKUWUURJB-UHFFFAOYSA-N 354.410 3.542 0 40 FHAB CC(C)C(=O)N1CC[C@H](c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)C1 12220415 CBMSRKHLSBJYDE-LBPRGKRZSA-N 368.403 3.843 0 40 FHAB Clc1ccc(-c2nnn(Cc3csc(-c4ccccn4)n3)n2)cc1 12255068 ILRRIPHKSVPFAK-UHFFFAOYSA-N 354.826 3.560 0 40 FHAB Cc1ccccc1-c1cc(C[C@@]2(C(=O)O)CCCN(C(=O)C(C)C)C2)on1 12366463 DZMSGQUFEVZXAW-NRFANRHFSA-N 370.449 3.542 0 40 FHAB Nc1nc2c(s1)[C@H](c1cccc(OCCc3ccccc3)c1)CC(=O)N2 12376334 NETVIWKEYFFYQW-INIZCTEOSA-N 365.458 3.821 0 40 FHAB Cc1nn(C)c(C)c1NC(=O)COc1ccc(Nc2ccccc2)cc1 12527887 JAHOASCPBYPBKB-UHFFFAOYSA-N 350.422 3.798 0 40 FHAB Cn1ccnc1[C@H](NC(=O)c1cc(Cl)ccc1F)c1ccccc1F 12767698 ZOQDGHJBGPGWQE-MRXNPFEDSA-N 361.779 3.871 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(C(C)(C)C)nn3C)cc2)n1 12801051 SONBNNAVUGOKBE-UHFFFAOYSA-N 351.454 3.772 0 40 FHAB CCN1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc(C)cc2)CC1 12818815 KNUJLXLJEAGCLZ-UHFFFAOYSA-N 371.912 3.972 0 40 FHAB CCn1nnc2cc(C(=O)Nc3cc4c(cc3Cl)OCCCO4)ccc21 12921285 HKCXFGRIJFMNNZ-UHFFFAOYSA-N 372.812 3.518 0 40 FHAB CN(Cc1ccsc1)C(=O)CSc1nnc(-c2ccc(F)cc2)o1 14120999 MTPDZSHIRCNWOJ-UHFFFAOYSA-N 363.439 3.688 0 40 FHAB O=C(CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1)Nc1ccc(F)cc1 14173954 QSPFXUHAUSYEAB-XCVCLJGOSA-N 372.400 3.984 0 40 FHAB Cc1ccc(-c2cc(C(=O)NC[C@@H](c3cccs3)N(C)C)no2)cc1 15859723 CZCAYPMWXOGNTE-INIZCTEOSA-N 355.463 3.744 0 40 FHAB Cc1ccc(C)c(OC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)c1C 15960473 QMDQEMBTDSQKFN-UHFFFAOYSA-N 352.839 3.888 0 40 FHAB CCOc1ccc(-c2nonc2NC(=O)c2ccccc2)cc1OCC 16753886 XUWGWOVHLFBWPG-UHFFFAOYSA-N 353.378 3.786 0 40 FHAB O=C(C[C@@H]1Sc2ccccc2NC1=O)NC12CC3CC(CC(C3)C1)C2 17305531 URBWNISQNRYCLJ-UTNBAMHJSA-N 356.491 3.575 0 40 FHAB Cc1nn(C)c(C)c1CCn1cncc1-c1cnn(C2CCCCC2)c1 19654571 GDALCDYZZUUOIF-UHFFFAOYSA-N 352.486 3.845 0 40 FHAB O=C(CCc1nc2ccccc2[nH]1)Nc1cnn(Cc2ccccc2F)c1 19718009 QLNYZJFVRKCYCI-UHFFFAOYSA-N 363.396 3.518 0 40 FHAB COc1cccc([C@H]2CC(=O)Nc3n[nH]cc32)c1OCc1ccccc1F 20716933 ISVNPWUYDUUFRL-CQSZACIVSA-N 367.380 3.611 0 40 FHAB COc1ccc(S(=O)(=O)Oc2cccc(C)c2)cc1Br 22452836 XLOFDPAQLVQEIM-UHFFFAOYSA-N 357.225 3.534 0 40 FHAB CN(Cc1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(Cl)nc1 23863479 BEXYDOKFIHNUQY-UHFFFAOYSA-N 365.669 3.863 0 40 FHAB CC[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(C)cc1 25452654 AMFOOPKBMRMVDT-HXUWFJFHSA-N 350.462 3.999 0 40 FHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1nccn1Cc1ccccc1 26906911 LILVGNDOFIBKRI-SFHVURJKSA-N 372.476 3.705 0 40 FHAB CCc1ccc(OCC(=O)NC[C@H](c2ccccc2)N(CC)CC)cc1 28292414 HAGHUMKULFCCMQ-OAQYLSRUSA-N 354.494 3.827 0 40 FHAB O=C(NCCCN1CCc2ccccc21)c1cc(F)c(F)cc1Cl 29520616 NIABKWQMNDWQNV-UHFFFAOYSA-N 350.796 3.801 0 40 FHAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1OC 30869833 KHKJSDRJZRTPQC-HZPDHXFCSA-N 357.450 3.965 0 40 FHAB O=S(=O)(c1cccc(Cl)c1F)N1CCCc2cc(F)cc(F)c21 32434998 XYWSZAXOZKHFGC-UHFFFAOYSA-N 361.772 3.899 0 40 FHAB CCc1ccc(OS(=O)(=O)c2ccc(Br)c(OC)c2)cc1 32602218 PTTFGOUBFRJJHX-UHFFFAOYSA-N 371.252 3.788 0 40 FHAB CC[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 32895627 HEIZXCWPBBKPKQ-AWEZNQCLSA-N 352.500 3.544 0 40 FHAB CN(C)C(=O)c1ccc(Cl)c(NC(=O)CSc2ccccc2F)c1 33173687 KVSUZNBENKRNSI-UHFFFAOYSA-N 366.845 3.912 0 40 FHAB CCCN1CCCc2cc(CCNC(=O)Cc3ccc(F)cc3)ccc21 35588079 JETMBKIRRANXQK-UHFFFAOYSA-N 354.469 3.890 0 40 FHAB CN(C)[C@H](CNC(=O)Nc1ccccc1N1CCCC1)c1cccs1 40103780 HXEBYPOWTJUERL-QGZVFWFLSA-N 358.511 3.773 0 40 FHAB CC[C@](C)(CNC(=O)c1ccccc1-c1ccccc1)N1CCOCC1 40117717 DSMVHKNTYMEEFY-JOCHJYFZSA-N 352.478 3.584 0 40 FHAB COc1ccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)cc1 40140098 RNHOSFZJAJNROE-UHFFFAOYSA-N 369.371 3.900 0 40 FHAB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1nc2cc(Cl)ccc2n1C 40153911 SZKSTYZWODILQY-IUODEOHRSA-N 368.868 3.594 0 40 FHAB O=C(NCCc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 42646681 UYBVDSWHEUJYTC-UHFFFAOYSA-N 370.758 3.656 0 40 FHAB COc1ccc(CN(C)C(=O)[C@H](C)SCc2ccccc2)cc1OC 43848819 RVRUWZWZVYMDIQ-HNNXBMFYSA-N 359.491 3.984 0 40 FHAB Cc1cccc(NC(=O)CN2C(=O)COc3cc(C(C)(C)C)ccc32)c1 44841430 WSRAFJIFBBKUNR-UHFFFAOYSA-N 352.434 3.657 0 40 FHAB COc1ccc(S[C@H](C)C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc1 44847791 QGLPVVUUDCRGQV-IXDOHACOSA-N 364.555 3.660 0 40 FHAB Cc1noc(-c2csc(S(=O)(=O)NCc3cccs3)c2)c1C 44903314 KSGPYBZDIRTDIV-UHFFFAOYSA-N 354.478 3.560 0 40 FHAB O=C(Nc1nnc(-c2ccccn2)s1)[C@@H]1CCCC[C@@H]1C(F)(F)F 46756806 UTPROPUNFJURAL-ZJUUUORDSA-N 356.373 3.907 0 40 FHAB Cc1cc(C)n(-c2ccc(CNCc3ccc(OC(C)C)cc3)cn2)n1 48743697 PKXJWSNLHIYONW-UHFFFAOYSA-N 350.466 3.961 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(CN3CCCCC3=O)c2)c1C 50474715 PASXNWUOWDEXLM-UHFFFAOYSA-N 367.449 3.599 0 40 FHAB O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1cn2ccccc2n1 56348709 GOYPQPPCWVUCNC-OAHLLOKOSA-N 351.406 3.535 0 40 FHAB COc1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)c(OC)c1 57351112 PMPXSNYQXNLOKY-UHFFFAOYSA-N 374.400 3.690 0 40 FHAB C[C@@H](NC(=O)CNC(=O)CC1CCCCC1)c1cccc(OC(F)F)c1 58218131 XUYFZZRGQWZOIJ-CYBMUJFWSA-N 368.424 3.552 0 40 FHAB O=C(c1cc(Br)c[nH]1)N1CCC(Nc2ccc(F)cc2)CC1 63584657 QCKUUWREYDVMFI-UHFFFAOYSA-N 366.234 3.633 0 40 FHAB CC(=O)N[C@H](CC(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3)c1ccc(Cl)cc1 68031967 JOCCGCLVWLIYBQ-AMVIYQOYSA-N 374.912 3.944 0 40 FHAB CCOc1cc(C(=O)NC[C@@H]2CCCN2CC2CCCCC2)ccc1OC 72273506 IDAOSINJHFJTNL-IBGZPJMESA-N 374.525 3.868 0 40 FHAB CCn1ccnc1CN1CCC(c2cncc(-c3cccc(F)c3)n2)CC1 72359817 CJDADMPSGKTVNY-UHFFFAOYSA-N 365.456 3.879 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H]1CS(=O)(=O)c1ccc(Cl)cc1 72411089 VTSDPEQAQFCJGZ-CYBMUJFWSA-N 359.875 3.513 0 40 FHAB CSc1ccc(C(=O)COC(=O)c2ccc(-c3nc(C)n[nH]3)cc2)cc1 78999537 XVOFZIPYKJFDOJ-UHFFFAOYSA-N 367.430 3.542 0 40 FHAB Cc1nn(C)c(C)c1[C@H]1SCC(O)=Nc2ncn(-c3ccc(F)cc3)c21 79491107 PPHWTFFIMMXJSW-QGZVFWFLSA-N 371.441 3.786 0 40 FHAB Cc1ccc(NC(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)c(C)c1 89614076 GEIRDNZLTHGURI-GOSISDBHSA-N 373.522 3.902 0 40 FHAB COc1ccc(C)c2c1N(C(=O)c1ccc(OCC(F)F)nc1)CCC2 90522749 HCAPFXXRHVNYFZ-UHFFFAOYSA-N 362.376 3.636 0 40 FHAB COC(=O)c1ccc(CN(C)Cn2nc(C3CC3)n(C3CC3)c2=S)cc1 95349859 JOYIEGAXSCGOPO-UHFFFAOYSA-N 372.494 3.502 0 40 FHAB Cc1cc(C)cc(N(C)C(=O)[C@H]2CCCN2C(=O)NC2CCCCC2)c1 95369227 HAXQEOPAJPVVCT-LJQANCHMSA-N 357.498 3.773 0 40 FHAB COc1cccc(OC)c1CN[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 95435784 VMSJZEUHXMUBOJ-HKUYNNGSSA-N 354.494 3.847 0 40 FHAB CSc1ccc([C@@H](O)CNC(=O)c2ccccc2C(F)(F)F)cc1 96103115 BVDDIMJDPAVORQ-HNNXBMFYSA-N 355.381 3.891 0 40 FHAB C[C@@H](CSc1ccccc1)C(=O)NCc1ccc(OCCN(C)C)cc1 97001800 HAOCCCLFVQBSKZ-KRWDZBQOSA-N 372.534 3.672 0 40 FHAB COC(=O)c1ccc2c(c1)[C@H]1C[C@](C)(O2)N(c2cccc(Cl)c2)C(=O)N1 101085048 XNFGFTUWPDVFST-BEFAXECRSA-N 372.808 3.896 0 40 FHAB CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)[C@@H]3C[C@H]4C=C[C@H]3C4)cc21 102138501 BRZJZUFLXBDTEF-OFQRWUPVSA-N 354.450 3.609 0 40 FHAB Cc1ccc(-c2csc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)n2)c(C)c1 102180281 JOTQGCJYZQDHRF-PYTWLRIVSA-N 368.458 3.888 0 40 FHAB Cc1ccc(OCCC(=O)OCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 102206887 CWRSQSIHPMVAII-VGSWGCGISA-N 373.493 3.734 0 40 FHAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CCC(=O)O 118931292 QIZQZYDEIVNNAA-ZVLKMEQASA-N 362.510 3.906 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](CC)Oc2ccccc2OC)c1 219560317 HEXSPGKUTUGADM-KRWDZBQOSA-N 371.433 3.976 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)COc2ccc3c(c2)CCCC3)c1 224973378 ZAFFSTXWVKPTPR-OAHLLOKOSA-N 369.461 3.839 0 40 FHAB COCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)cc1Cl 224999720 SJYGNMBJCXAHNA-UHFFFAOYSA-N 360.841 3.667 0 40 FHAB CO[C@](C)(C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1)C1CC1 225643751 NJAJLLUCINIMFQ-NRFANRHFSA-N 360.498 3.551 0 40 FHAB O=C1C[C@]2(CC[C@@H]3[C@H](C(=O)NC4CCCC4)[C@H]32)Oc2ccc(Cl)cc21 248006874 UESWYPBEAXCAOH-SBFOQGNTSA-N 359.853 3.759 0 40 FHAB Cn1ccnc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257289762 QABWCZRKJBPWMN-QGZVFWFLSA-N 368.412 3.505 0 40 FHAB O=C(c1ccc2ncccc2c1)N1CCCC[C@@H]1c1ccn2ccnc2n1 257335623 YLCADKMIZZXEGD-LJQANCHMSA-N 357.417 3.645 0 40 FHAB CCCCOc1ccc(C(=O)NC(=S)Nc2cc(OC)ccc2O)cc1 408627810 NYDYFJHLKABOGX-UHFFFAOYSA-N 374.462 3.707 0 40 FHAB Cc1nnc(SCC(=O)NCc2ccccc2)n1-c1ccc(Cl)cc1 409102845 WFKXMEZTZRNZTK-UHFFFAOYSA-N 372.881 3.638 0 40 FHAB C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1Cc1ccc(Oc2ccccc2)o1 583615072 WPSJJOYJDQVMOP-ZVDOUQERSA-N 357.450 3.824 0 40 FHAB Cc1ncsc1CN1Cc2cccn2C[C@@H](CCNc2ccccn2)C1 585095063 CKCAUVRHKAUTPM-KRWDZBQOSA-N 367.522 3.782 0 40 FHAB O=C(c1ccc(F)cc1)N1CCc2[nH]nc(-c3cccc(F)c3)c2CC1 585110339 HGAKKQLMRPEHFA-UHFFFAOYSA-N 353.372 3.596 0 40 FHAB C[C@@H]1NCCO[C@H]1c1ccc(-c2ccccc2OC[C@@H]2CCOC2)cc1 629706700 YJNYDZWMDDHTMA-GSHUGGBRSA-N 353.462 3.818 0 40 FHAB c1cc(OCCN2CCCC2)ccc1CN1CCC[C@@H]1[C@H]1CCCOC1 648047866 FRIJGIHJSVHUPX-RBBKRZOGSA-N 358.526 3.552 0 40 FHAB Cc1ccccc1OCC(=O)N1CCC(c2ccc3cccnc3n2)CC1 655265362 QNUGDBKBAOJCKD-UHFFFAOYSA-N 361.445 3.723 0 40 FHAB CC1(C)C[C@@H]2CN(C(=O)c3ccncc3F)CC[C@@H]2N1c1cccc(F)c1 2037988578 XKAWKOTURPHRRC-KUHUBIRLSA-N 371.431 3.879 0 40 FHAB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1ccc(C)cc1 724934 SGGYHTRSQXRSNR-IBGZPJMESA-N 360.417 3.576 0 40 FHAB Cc1ccccc1N1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O 845795 YRMVMOZURHORQI-UHFFFAOYSA-N 372.424 3.785 0 40 FHAB COC(=O)c1cc(NC(=O)c2oc3ccccc3c2C)cc(C(=O)OC)c1 873307 FWSJBWIBZDYFHW-UHFFFAOYSA-N 367.357 3.567 0 40 FHAB CCOC(=O)c1nnc(-c2ccccc2)nc1Oc1ccc(OC)cc1 1392092 CROGZDBRORSANS-UHFFFAOYSA-N 351.362 3.516 0 40 FHAB O=C(CNC(=O)c1ccccc1)OCC(=O)c1ccc(-c2ccccc2)cc1 1599489 UJFRCKIPWCUVGB-UHFFFAOYSA-N 373.408 3.510 0 40 FHAB Cc1ccccc1OCCCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 1772505 QTQJIXYUDZOIKX-UHFFFAOYSA-N 372.490 3.832 0 40 FHAB O=C1C[C@H](c2cccc(Cl)c2)Cc2nc(NC[C@H]3CCCO3)ncc21 2444664 WFCGOGAFMYDIAT-UKRRQHHQSA-N 357.841 3.634 0 40 FHAB Cc1cc(C)c(C(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c(C)c1 2635115 UXIMBGLQZQLKIK-PEBXRYMYSA-N 370.493 3.931 0 40 FHAB COC(=O)c1ccc(COC(=O)/C=C/c2ccc(Br)o2)cc1 2642452 UBEGTQUNQFXZFX-VQHVLOKHSA-N 365.179 3.585 0 40 FHAB Cc1cc(C(=O)CSc2nncn2C)c(C)n1Cc1ccccc1Cl 3450369 HSJZRYIDIWYBNI-UHFFFAOYSA-N 374.897 3.910 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)o2)cc1 3459099 BYXLKYZLMWILMH-UHFFFAOYSA-N 359.382 3.615 0 40 FHAB Cc1cc2oc(=O)sc2cc1NS(=O)(=O)c1ccc(Cl)cc1 4914180 CHDRNQXNXHNKQE-UHFFFAOYSA-N 355.824 3.617 0 40 FHAB COc1ccccc1NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1 5111725 ANLTYVPAIZXQGZ-UHFFFAOYSA-N 353.296 3.510 0 40 FHAB O=c1ccc2ccc(OS(=O)(=O)c3cccc4ccccc34)cc2o1 5234586 ZCXBPFOCTJOXKW-UHFFFAOYSA-N 352.367 3.714 0 40 FHAB Oc1ccc2c(c1)Oc1ncn3nc(-c4ccco4)nc3c1[C@H]2c1ccco1 5345937 ZBXXJMDAEPULSO-MRXNPFEDSA-N 372.340 3.969 0 40 FHAB CCCCOP(=O)(OCCCC)[C@@H](CC(=O)OCC)C(=O)OCC 5553073 QBEFPXQICQAOSO-AWEZNQCLSA-N 366.391 3.698 0 40 FHAB COc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 6176252 JMHZKWVOMOGSHS-LLVKDONJSA-N 366.339 3.530 0 40 FHAB CC(=O)c1ccccc1NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2 6429844 OEKMADHUGANQBC-UHFFFAOYSA-N 369.461 3.977 0 40 FHAB CCOC(=O)NC(NC(=O)OCC)c1cccc(OCc2ccccc2)c1 6439161 ARHRDSGEOUVKTK-UHFFFAOYSA-N 372.421 3.756 0 40 FHAB COc1cc(OC)c(/C=C2/C(=O)N(C)c3ccccc32)cc1Br 6578661 CAOIFJXJOZPQPX-MDWZMJQESA-N 374.234 3.983 0 40 FHAB O=C(Nc1ccc2c(c1)CCC2)c1ccc(CSc2ncn[nH]2)cc1 6580577 RQBXCUYNNHJDGR-UHFFFAOYSA-N 350.447 3.838 0 40 FHAB C[C@H](Sc1nnnn1-c1cccc(F)c1)c1nnc(-c2cccs2)o1 6851473 ROHMZNSFPNRALK-VIFPVBQESA-N 374.426 3.766 0 40 FHAB CCOc1cc(C[C@H]2SC(=O)N(Cc3ccccc3)C2=O)ccc1OC 6960484 HTQXJONIYLRZGK-GOSISDBHSA-N 371.458 3.901 0 40 FHAB Cc1ccc2nc(CN(C)Cc3cccc(Cl)c3Cl)cc(=O)n2c1 7266074 JTADAOPMXAQMJB-UHFFFAOYSA-N 362.260 3.942 0 40 FHAB O=C(Nc1ccc(-c2ccccc2)cc1)[C@H]1CC(=O)N(Cc2ccco2)C1 7765787 YLWBYLAGHAQHFN-SFHVURJKSA-N 360.413 3.934 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(F)cc2Br)c1 8061565 RYOBITGIUWRSQF-UHFFFAOYSA-N 366.186 3.936 0 40 FHAB CCOc1cc(CNC[C@@H](C)O)cc(Cl)c1OCc1ccccc1F 8254168 YYKRQEUASAFVCR-CYBMUJFWSA-N 367.848 3.927 0 40 FHAB COc1cc(CNC[C@H](C)O)ccc1OCc1ccc(F)cc1Cl 8497988 VCYPPKGRVIXHRV-LBPRGKRZSA-N 353.821 3.537 0 40 FHAB COc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)N2CCCC2)cc1 8869947 PQIWCGNOOOQFKI-IBGZPJMESA-N 358.869 3.916 0 40 FHAB biogenic CCn1nc(C(=O)N[C@@H](CC(C)C)c2ccccc2)c2ccccc2c1=O 8944833 AKFBNYQJDBBMQB-IBGZPJMESA-N 363.461 3.934 0 40 FHAB O=C1Cc2cc(S(=O)(=O)Nc3ccccc3-c3cccs3)ccc2N1 9155114 DJIYKTJDCRTLOG-UHFFFAOYSA-N 370.455 3.711 0 40 FHAB CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)c(F)c1 9156451 IIMRSSZNYYREOY-UHFFFAOYSA-N 372.465 3.541 0 40 FHAB O=C(NC1CC1)[C@H](Sc1nc2ncc(Cl)cc2[nH]1)c1ccccc1 9319287 AXASOSUDDRKYJH-CQSZACIVSA-N 358.854 3.723 0 40 FHAB COc1ccc2cc(C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)ccc2c1 9364503 FURMLAZCZDNNQI-LBPRGKRZSA-N 362.385 3.820 0 40 FHAB CCN1CCN(c2ccc(NC(=O)CCSc3ccccc3)cc2)CC1 9368635 PCPPXBDYVKUIHZ-UHFFFAOYSA-N 369.534 3.949 0 40 FHAB COc1ccc(Nc2nnc(Cc3ccccc3Cl)c(O)n2)c(OC)c1 9669237 ZDPUDVOXVCFPKX-UHFFFAOYSA-N 372.812 3.582 0 40 FHAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cccc(C(F)(F)F)c1 9709599 UFJJZXRLBZGCMG-UHFFFAOYSA-N 373.338 3.946 0 40 FHAB COCCCNC(=O)c1ccccc1NC(=O)CCc1ccccc1Cl 10458394 CJWIWEHBIHCKHW-UHFFFAOYSA-N 374.868 3.678 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 11781242 VODSOEPVQWMJGJ-UHFFFAOYSA-N 353.809 3.506 0 40 FHAB COc1ccc(CC(=O)N2CCC(c3onc4c3C[C@@H](C)CC4)CC2)cc1 12119821 BXKSQSXOSHMIPD-HNNXBMFYSA-N 368.477 3.757 0 40 FHAB O=C(N[C@H](c1ccccc1)c1cccnc1)[C@H]1Cc2cc(Cl)ccc2O1 12148261 HAEKNPQYHWQLET-WOJBJXKFSA-N 364.832 3.944 0 40 FHAB CC(=O)N1c2ccc(NC(=O)C[C@H](C)n3nc(C)c(C)c3C)cc2C[C@@H]1C 12204361 GZOQTBMACPZHID-STQMWFEESA-N 368.481 3.696 0 40 FHAB COc1cc(N[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc(OC)c1 12526494 NSBYLUUTPCAIFT-SNVBAGLBSA-N 359.451 3.792 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1 12552809 KUPAOOOQGJYOFM-OAHLLOKOSA-N 374.868 3.891 0 40 FHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2CCCC[C@@H]2C)cs1 12999106 HGQXXZLZNMWDQB-AWEZNQCLSA-N 355.507 3.882 0 40 FHAB Cc1ccc(Cn2nccc2NC(=O)c2cc3ccccc3oc2=O)cc1 13730508 OTULXXUCZQLMMF-UHFFFAOYSA-N 359.385 3.599 0 40 FHAB CCCCCC[C@@H](C)NC[C@H](O)COc1ccc(C(=O)OCC)cc1 14094906 VVXQWQNIIRTXJZ-AEFFLSMTSA-N 351.487 3.552 0 40 FHAB Cc1nn(CN(Cc2ccccc2)CC(F)(F)F)c(=O)c2ccccc12 14138169 ITKYZRJNVWFYFD-UHFFFAOYSA-N 361.367 3.727 0 40 FHAB O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1nc2ccc(F)cc2s1 14158313 IXFHDEMDHRGNNS-LBPRGKRZSA-N 369.421 3.965 0 40 FHAB O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccco1 14257753 LOZAXKGUPUYTGP-UHFFFAOYSA-N 359.632 3.822 0 40 FHAB Cn1cc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc21 16382514 QISXJJMSRWSYCS-LICLKQGHSA-N 365.820 3.925 0 40 FHAB Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1[C@@H](O)CC(C)(C)C2 16806032 GDVCKSHWDGNBJV-KRWDZBQOSA-N 368.477 3.556 0 40 FHAB CNc1cc([C@H]2CCCN(C(=O)CC(C)(C)C)C2)nc(-c2cccnc2)n1 19082625 PAADBLKGCFQCCS-INIZCTEOSA-N 367.497 3.723 0 40 FHAB c1ccc2c(CN3CCO[C@@H](c4ccc(-c5cc[nH]n5)cn4)C3)ccnc2c1 19692432 UDGBHSJEAVLRBQ-JOCHJYFZSA-N 371.444 3.593 0 40 FHAB CCN[C@H]1CN(C(=O)CCCOc2ccc(OC)cc2)C2(CCCCC2)C1 19703993 IUDGNNVLEGTNSE-GOSISDBHSA-N 374.525 3.768 0 40 FHAB Cn1cnc2ccc(NC(=O)c3noc4c3C[C@H](C(C)(C)C)CC4)cc21 19716503 TWJJUIBWDLEWRJ-GFCCVEGCSA-N 352.438 3.965 0 40 FHAB COc1cccc(-c2ccc(C(=O)Nc3nc(C(C)C)cs3)c(=O)[nH]2)c1 19717215 KTTJGLAPMYNACU-UHFFFAOYSA-N 369.446 3.883 0 40 FHAB Cc1ccc(C)c(Oc2cc(-n3ncc(Cl)c(Cl)c3=O)ncn2)c1 19909956 MDFCFLZCAJMADH-UHFFFAOYSA-N 363.204 3.738 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1 20592159 JGLROJKWWOUQIS-RMKNXTFCSA-N 359.473 3.568 0 40 FHAB C[C@@H](NC(=O)c1cn2c3c(cccc3c1=O)CCC2)c1ccc(F)cc1 22606037 ZCALHMUPDZHILX-CYBMUJFWSA-N 350.393 3.578 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)CCc2c(C)noc2C)cc1OC 23386403 DYZJBMGZWOKNTC-KRWDZBQOSA-N 358.438 3.605 0 40 FHAB Cc1cc(OCC(=O)N(C)CC(=O)NC(C)(C)C)c(C(C)C)cc1Cl 24074716 LVVXUBWJQCZLAB-UHFFFAOYSA-N 368.905 3.524 0 40 FHAB COC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc1 24439528 ZEIKPVKZTMALDQ-UHFFFAOYSA-N 358.703 3.793 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 25046309 CHIQMPHYPSUIRR-UHFFFAOYSA-N 373.453 3.579 0 40 FHAB C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Br)cn1 27975205 ZLBCKUNXDCPOAG-LLVKDONJSA-N 361.239 3.739 0 40 FHAB O=C(NCCc1ccc(O)cc1)c1ccc(COc2ccc(F)cc2F)o1 27983514 IHDPJQAMTUAULG-UHFFFAOYSA-N 373.355 3.815 0 40 FHAB COc1ccc(NC(=O)[C@H](C)n2cc(Br)cn2)cc1Cl 28304441 ZUQWNLNAUCJRMV-QMMMGPOBSA-N 358.623 3.507 0 40 FHAB C[C@@H]1CN(CCC(=O)Nc2ccccc2Oc2ccccc2)C[C@@H](C)O1 28842724 UWAQHWLRNFRIIM-IAGOWNOFSA-N 354.450 3.917 0 40 FHAB CC(C)C[C@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1)c1ccccc1 29107194 TUHYXYKWZVZPLY-OALUTQOASA-N 353.466 3.690 0 40 FHAB Cc1cc(C)c(-c2csc(NC(=O)[C@H]3CC(=O)N(C4CC4)C3)n2)cc1C 29573878 SVJOFOHOSLANBU-AWEZNQCLSA-N 369.490 3.685 0 40 FHAB COc1cccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)o2)c1 32593547 QDPMYHQNOCLIRC-UHFFFAOYSA-N 371.414 3.682 0 40 FHAB O=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1cccc(NC(=O)C2CC2)c1 32764864 GRNWJSHVWPCYAG-FMIVXFBMSA-N 372.428 3.873 0 40 FHAB CC(=O)c1ccc(OC[C@H](O)CN[C@H](c2ccc(C)cc2)C2CC2)cc1 32899657 BMNMWIVEBXZKOA-IFMALSPDSA-N 353.462 3.678 0 40 FHAB Cc1nc(NC(=O)c2c(C)noc2C)sc1-c1nccn1C(F)F 32899767 GIKLRJXGTJRCNU-UHFFFAOYSA-N 353.354 3.567 0 40 FHAB COc1ccc(NC(=O)Cc2ccccc2C)cc1N1CCCCC1=O 32924857 RIPXBGXLNYFITF-UHFFFAOYSA-N 352.434 3.702 0 40 FHAB Cc1sc2nc(CN3CCOCC3)nc(N3C[C@H](C)C[C@@H](C)C3)c2c1C 33012197 BHMIENDXJZZZOQ-ZIAGYGMSSA-N 374.554 3.623 0 40 FHAB COc1ccc([C@@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)cc1O 36358493 GYGFQPYAEFFIHQ-LBPRGKRZSA-N 359.451 3.971 0 40 FHAB Cc1c(-c2cnn(C)c2C)nn(-c2cccc(F)c2)c1-c1cnn(C)c1C 36611533 XXFNLCGLWLKXAI-UHFFFAOYSA-N 364.428 3.738 0 40 FHAB CCOc1ccc(N[C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2=O)cc1 36635525 HACCUUWAZHNVRO-GOSISDBHSA-N 352.434 3.755 0 40 FHAB C[C@H]1Nc2ncnn2[C@@H](c2cccs2)[C@H]1C(=O)Nc1ccc(Cl)cc1 36701729 JHIMLQOTZNDHAE-ONERCXAPSA-N 373.869 3.651 0 40 FHAB Cc1ccc(OCCCCNC(=O)c2ccc(Br)o2)cc1 40122459 QQAXUKKQOXUXFO-UHFFFAOYSA-N 352.228 3.940 0 40 FHAB COc1cc(/C=C/C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc(Cl)c1OC 40145726 DPWSXTNXGWHGLM-XLBHYRNJSA-N 365.857 3.540 0 40 FHAB C[C@H](CNC(=O)c1cc(F)cc2[nH]c(=S)[nH]c12)N1CCc2ccccc21 40155443 YZRRLAVTAWZXTI-LLVKDONJSA-N 370.453 3.546 0 40 FHAB CCCCC(=O)Nc1ccccc1OCc1cc(=O)n2c(C)csc2n1 41077392 DANSATNUNCAZSE-UHFFFAOYSA-N 371.462 3.772 0 40 FHAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)CC1 42142472 FPIIQENXOJJEMN-MRXNPFEDSA-N 361.482 3.687 0 40 FHAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)Nc1nncs1 43130926 IKAZZXKGYGKNRC-OAHLLOKOSA-N 363.446 3.973 0 40 FHAB O=C(Cc1ccc2c(c1)CCC2)NC[C@@H](c1cccs1)N1CCCC1 44719575 CAPMIPCAZRFXHN-IBGZPJMESA-N 354.519 3.733 0 40 FHAB O=C(CCn1cnc2c(Cl)cc(Cl)cc2c1=O)Nc1ccccc1 45697093 GBKFRGZCEFAGFN-UHFFFAOYSA-N 362.216 3.732 0 40 FHAB C[C@@H]1Oc2ccc(NC(=O)C3(c4ccc(F)cc4)CCC3)cc2NC1=O 45853338 NEVQVLNCXQXQRC-LBPRGKRZSA-N 354.381 3.606 0 40 FHAB Nc1nnc(SCC(=O)c2cc3c(c4c2CCCC4)CCCC3)s1 45930430 UQDFXIVPDNAPQV-UHFFFAOYSA-N 359.520 3.853 0 40 FHAB Cc1noc(C)c1CC(=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 47371944 YPGCJCGAHKVHTP-UHFFFAOYSA-N 373.416 3.925 0 40 FHAB CCC(CC)[C@H](CNC(=O)Nc1ccc(C)c(NC(C)=O)c1)N1CCCC1 48371090 YXXJJYMXSNOAKH-FQEVSTJZSA-N 374.529 3.976 0 40 FHAB O=C(OCc1cc(F)cc2c1OCOC2)c1cc(F)c(F)c(F)c1F 61352485 XOSGZWHCSYPPRX-UHFFFAOYSA-N 360.234 3.606 0 40 FHAB O=C1COc2ccc(Br)cc2CN1c1ccc(F)c(F)c1 65184326 HPDVYUSYLDVZFJ-UHFFFAOYSA-N 354.150 3.653 0 40 FHAB CCn1cc(NC(=O)c2ccccc2Nc2ccc(OC)cc2)ccc1=O 65552699 DFOBPCFIUUEWDA-UHFFFAOYSA-N 363.417 3.873 0 40 FHAB O=C(NC1CCCCCC1)c1cc(=O)[nH]c2ccc(Br)cc12 71328466 VUGKHLVSYBIHOG-UHFFFAOYSA-N 363.255 3.743 0 40 FHAB CNc1cc(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)c2ccccc2n1 72289349 MNBAEJRUSIFJHD-QRWLVFNGSA-N 361.445 3.879 0 40 FHAB CN(C(=O)c1cc(Cl)c2c(c1)OCCCO2)c1nc2ccccc2[nH]1 75148506 GHHCTFFUOZUSQI-UHFFFAOYSA-N 357.797 3.654 0 40 FHAB COc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 78579041 IAYSBUUVQCSXTO-FMIVXFBMSA-N 363.417 3.725 0 40 FHAB CO[C@@H]1CCC[C@H]1OC(=O)Cc1c[nH]c2cccc(Br)c12 89409566 USAHPMXTHDZXFJ-ZIAGYGMSSA-N 352.228 3.584 0 40 FHAB CC1=CC(C)(C)N2C(=O)[C@]3(NC(=O)c4ccccc4N3)c3cc(C)cc1c32 95115710 PYIOMCXFTFMHNA-JOCHJYFZSA-N 359.429 3.545 0 40 FHAB CN(Cc1ccc(F)c(F)c1)C(=O)Nc1nnc(CC(F)(F)F)s1 95968689 SRTZGAZBGXZBTG-UHFFFAOYSA-N 366.315 3.585 0 40 FHAB O=C(C[C@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21)N1CCCC1 96053234 GXXTVHAYCDYHED-IBGZPJMESA-N 368.521 3.810 0 40 FHAB COc1ccc(CN2C[C@H](OCc3nc4ccc(C)cc4[nH]3)[C@H](F)C2)cc1 96112298 VTGCOMMDBJQWJS-XLIONFOSSA-N 369.440 3.619 0 40 FHAB biogenic,in-vitro Cc1ccc(N2CC[C@]3(CN(Cc4cccs4)CCC3(F)F)C2)nn1 96239760 KQGCVNPYZKDXMZ-KRWDZBQOSA-N 364.465 3.584 0 40 FHAB CC(C)(C)OC(=O)N1CCC(CN)(c2ccccc2C(F)(F)F)CC1 98213780 UBEVIRCFUVYYBY-UHFFFAOYSA-N 358.404 3.933 0 40 FHAB CC(C)n1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1cccc(Cl)c1 101113591 KFJKSPNQYRKJHC-CJLVFECKSA-N 356.813 3.697 0 40 FHAB CCOC(=O)c1ccc(N2C(=O)[C@@H](C)[C@@H](Cc3cccc(C)c3)C2=O)cc1 103442000 AAVCOXQQMAGJPK-HNAYVOBHSA-N 365.429 3.540 0 40 FHAB CCCN(C)C[C@H]1CCN([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 106922517 ZTWSFFSBFYQQQV-HUUCEWRRSA-N 371.447 3.696 0 40 FHAB Clc1ccccc1CN1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 108531891 LYPOMTQEWBCRNY-KRWDZBQOSA-N 372.900 3.756 0 40 FHAB CC[C@@H](Oc1cccc(C)c1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 219319341 UWOMLLNVLWBPKC-GOSISDBHSA-N 365.433 3.861 0 40 FHAB COc1ccc([C@@H]2CC(N)=NN2c2ccc(C(F)(F)F)cc2)cc1OC 222549559 HCMWYCNDWQRGDJ-AWEZNQCLSA-N 365.355 3.946 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O 222609521 UAILPZHFBYJFQV-IBGZPJMESA-N 374.506 3.690 0 40 FHAB Cc1ccc(-c2noc(CN(C)C(=O)COc3cccc(Cl)c3)n2)cc1 222772681 IQVNJMPTCBPDNE-UHFFFAOYSA-N 371.824 3.736 0 40 FHAB CC(C)c1ccccc1OCC(=O)NCc1nc(-c2ccccc2)no1 222813781 ZTNFWMRWFIUSGX-UHFFFAOYSA-N 351.406 3.555 0 40 FHAB C[C@@H]1CCc2nc(NC(=O)C[C@H](CC(=O)O)c3cccs3)sc2C1 223111088 XCKGYPDIRDRVHH-GHMZBOCLSA-N 364.492 3.917 0 40 FHAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(C)=O 223188609 KGZBTYRQJAPGBN-NRFANRHFSA-N 370.468 3.702 0 40 FHAB Cc1ccc(OCCNS(=O)(=O)Cc2c(F)cccc2Cl)cc1C 224182101 YPCRLMRBQGWMIG-UHFFFAOYSA-N 371.861 3.594 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 224776459 QVJPDFAATVXLQR-IBGZPJMESA-N 366.505 3.789 0 40 FHAB CCOC(=O)c1cccc(NC(=S)NCc2ccc(OCC)cc2)c1 225431398 WUVXUOGSFQJMKU-UHFFFAOYSA-N 358.463 3.749 0 40 FHAB COC(=O)c1ccc(C)c(NC(=S)N[C@H](C)COc2ccc(C)cc2)c1 225641178 SRHBXFVEKYBQHH-OAHLLOKOSA-N 372.490 3.844 0 40 FHAB CSc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(C)=O 225785970 CKQVRMQPRZRKMG-UHFFFAOYSA-N 370.883 3.821 0 40 FHAB O=C1CC2(CCN(C(=O)c3ccccc3)CC2)Oc2c(Cl)cccc21 225828027 MBZUXNGTIPHAJV-UHFFFAOYSA-N 355.821 3.980 0 40 FHAB COc1ccc(NC(=O)C2(C3(C(=O)N4CCCCC4)CC3)CC2)c(C)c1 225926772 LDIYFYWZGUSJDM-UHFFFAOYSA-N 356.466 3.515 0 40 FHAB COc1ccc(OC)c(-c2ccc(OC(=O)c3ccc(F)cc3)nn2)c1 408531414 LWQWHIVTLQAFKZ-UHFFFAOYSA-N 354.337 3.519 0 40 FHAB CCOC(=O)C1CCN(C(=S)Nc2ccc3nc(C)sc3c2)CC1 408977181 HQPGOWUNRLYRBN-UHFFFAOYSA-N 363.508 3.577 0 40 FHAB COCCn1c(Cc2ccccc2)nnc1SCCOc1ccccc1 409098534 ITDRHBOMWRYYMH-UHFFFAOYSA-N 369.490 3.686 0 40 FHAB NC(=O)/C=C\c1ccc(OCc2cccc(F)c2)c(Br)c1 409416272 XGCKRSMMEQAHRY-ALCCZGGFSA-N 350.187 3.666 0 40 FHAB CCCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 514471844 CMBXRJWRWWYCAB-XSWJXKHESA-N 364.511 3.528 0 40 FHAB C[C@H](NC(=O)C(=O)NCc1ccc(-c2cccs2)o1)c1ccccc1 575609000 MWEAWRGSTFKRDK-ZDUSSCGKSA-N 354.431 3.502 0 40 FHAB Cc1nn(CCNC(=O)c2noc3c2CCCC3)c(C)c1-c1cccs1 575613040 UBDCAHIUXLDPNN-UHFFFAOYSA-N 370.478 3.525 0 40 FHAB CC1(C)CO[C@H](c2cccc(F)c2)CN1CCOc1ccccc1C(=O)O 656764496 BRAZRPHINVNTGK-IBGZPJMESA-N 373.424 3.755 0 40 FHAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCSc3ccc(F)cc32)c1 1290327701 JVBKNASHQVBSMN-HNNXBMFYSA-N 372.421 3.623 0 40 FHAB C[C@@]1(C(=O)N2CCc3ncnc(-c4ccsc4)c3CC2)CC=CCC1 1565550386 BMUROZIUNJSIFW-HXUWFJFHSA-N 353.491 3.879 0 40 FHAB CCOP(=O)(CC(=O)NCC1(c2ccccc2)CCCC1)OCC 1776004507 TUZSQIHZDQUXEF-UHFFFAOYSA-N 353.399 3.881 0 40 FHAB CC(C)c1ccc(C(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c(O)c1 52900054 DHZTZBKTTDKSAU-MRXNPFEDSA-N 372.509 3.626 0 40 FHAB CCCCNC(=S)Nc1ncn(Cc2ccc(Cl)c(Cl)c2)n1 2782130 QIUSEBIHYNGGRG-UHFFFAOYSA-N 358.298 3.720 0 40 FHAB Cc1cc2cc(C)c3nnc(SCC(=O)N4CCCC4)n3c2cc1C 1223235 XJHYKVCIGMUDBG-UHFFFAOYSA-N 354.479 3.522 0 40 FHAB CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(-n2cncn2)c(F)c1 76041448 PDONKIPXRNNJGR-OAHLLOKOSA-N 352.413 3.847 0 40 FHAB COc1ccc(NC(=O)c2cccc(I)c2)cc1 3548189 RBSAAEHAMKEVBE-UHFFFAOYSA-N 353.159 3.552 0 40 FHAB C[C@H]1Sc2ccc(C(=O)NC3(c4ccccc4)CCC3)cc2NC1=O 53473027 UOEANZVCDXJTHO-CYBMUJFWSA-N 352.459 3.929 0 40 FHAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccc(C)c2)NC(=O)N1 6052547 HLXYAPXZDGGNMB-QGZVFWFLSA-N 355.825 3.915 0 40 FHAB CCOC(=O)NC(NC(=O)OCC)c1ccc(OCc2ccccc2)cc1 6439160 WNIUBGIAZOHVMB-UHFFFAOYSA-N 372.421 3.756 0 40 FHAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CNC(=O)c1ccccc1 8032149 YRQLKBBIVHYXFB-UHFFFAOYSA-N 366.505 3.690 0 40 FHAB Cc1ccnc(SCc2cc(O)n3nc(C)c(-c4ccccc4)c3n2)n1 18222725 ADCKFBZMEGDKBK-UHFFFAOYSA-N 363.446 3.801 0 40 FHAB Cc1cc(NC(=O)c2sc(Nc3ccc(F)c(Cl)c3)nc2N)on1 12446727 FCNUONIDNOUERC-UHFFFAOYSA-N 367.793 3.810 0 40 FHAB CCOc1ccc(NC(=O)NC2C[C@@H]3CC[C@@H](C2)N3Cc2ccco2)cc1 100423571 VWBHMZCLPVINSK-ROUUACIJSA-N 369.465 3.995 0 40 FHAB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)C1=NO[C@@H](c2ccccc2)C1 55288530 TWSCHMXAQAEKIC-VQIMIIECSA-N 366.465 3.649 0 40 FHAB COc1ccccc1CN(C)C(=O)NCc1ccc(CN2CCCC2)cc1 24835853 ZUYGNUPOZXJUEG-UHFFFAOYSA-N 367.493 3.633 0 40 FHAB Cc1cc([C@H](C)NC(=O)CCc2nc(-c3ccccn3)no2)c(C)s1 25015636 QBZKOOBCYACGFJ-LBPRGKRZSA-N 356.451 3.620 0 40 FHAB CCCCN(C)c1ccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1 58151419 HYCRKLLXPKEKGI-UHFFFAOYSA-N 366.465 3.705 0 40 FHAB Cc1oncc1C(=O)Nc1ccc(NC(=O)C=C(C2CC2)C2CC2)cc1 57236932 KAKGCQSJDHDPBE-UHFFFAOYSA-N 351.406 3.920 0 40 FHAB CC(C)(C)c1cc(NC(=O)COC(=O)C2(c3ccccc3)CCCC2)on1 20065202 KRZUFYRWMFASIM-UHFFFAOYSA-N 370.449 3.966 0 40 FHAB O=C(N[C@@H]1CCCOc2ccc(F)cc21)N1CCC(n2cccc2)CC1 57618210 JFEPNDVTKCYUPN-GOSISDBHSA-N 357.429 3.888 0 40 FHAB Cc1ccc(N2C(=O)C(=O)N(Cc3cccc4ccccc34)C2=O)c(C)c1 27280602 PPVXRCOZVSBSLN-UHFFFAOYSA-N 358.397 3.952 0 40 FHAB Cc1ccn(-c2cccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)c2)n1 58022970 ZRKRXXXAZVIXJF-UHFFFAOYSA-N 360.417 3.560 0 40 FHAB CCCOC(=O)c1ccc(OC(=O)c2ccc(OCC)cc2)c(OC)c1 2069876 YUSZBPREQNJMOU-UHFFFAOYSA-N 358.390 3.880 0 40 FHAB COc1cccc(NC(=O)COc2ncnc3sc4c(c23)CCCC4)c1 3284882 PKPMIKJCKUZQOA-UHFFFAOYSA-N 369.446 3.596 0 40 FHAB CC(C)Oc1ccc([C@@H](O)CCN[C@@H](CC(=O)O)c2ccccc2)cc1 27517021 BGWKFZXBUYGAAT-PMACEKPBSA-N 357.450 3.703 0 40 FHAB O=S(=O)(c1ccc2c(c1)CCO2)N(C1CC1)[C@H]1CCCc2ccccc21 58247499 FMJUPWMTWJJTIR-FQEVSTJZSA-N 369.486 3.852 0 40 FHAB COc1cccc(CN(C(=O)NCc2ccccc2)C2CCC(O)CC2)c1 58310511 NCIMCOPHEJJXCF-UHFFFAOYSA-N 368.477 3.711 0 40 FHAB CC1(C)CC(=O)c2sc(NC(=O)c3ccnc(NC4CC4)c3)nc2C1 58421785 VYLCRMFZWVFHMU-UHFFFAOYSA-N 356.451 3.520 0 40 FHAB Cc1csc(NC(=O)Cn2ccc3ccc(Br)cc32)n1 36357295 JDZLNYLDXOQGDS-UHFFFAOYSA-N 350.241 3.807 0 40 FHAB CCc1ccc2nc(NC(=O)c3ccc(Cn4cncn4)cc3)sc2c1 10894525 WIAOSWQFNPEJIZ-UHFFFAOYSA-N 363.446 3.751 0 40 FHAB Cc1cc(Br)cc(C)c1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O 100397611 SUWDGXUJCJKDOO-GTDBDLECSA-N 372.262 3.623 0 40 FHAB Cc1ccc(Cn2nc(-c3cnn(C)c3)c(Cl)c2-c2cnn(C)c2)cc1 36611644 CAXVQCZKEHNINU-UHFFFAOYSA-N 366.856 3.694 0 40 FHAB C[C@@H]1C[C@H]1c1ccc(CN(C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)o1 12805527 SPPSQHPLELOSTR-IAQYHMDHSA-N 357.841 3.925 0 40 FHAB CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)c1ccccc1 12876106 VJECWCATGAVYCD-QFBILLFUSA-N 354.450 3.815 0 40 FHAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(C4CC4)C3)cc2)c1 12888922 NRBITSTVRRDKIT-OAHLLOKOSA-N 350.418 3.737 0 40 FHAB COc1ccc([C@H](CNC(=O)Nc2ccccc2OC)N2CCCC2)cc1 12998926 LDIIEKYCVOOUSM-IBGZPJMESA-N 369.465 3.662 0 40 FHAB Cn1nc(C(=O)Nc2ccccc2-c2ccccc2)c2ccccc2c1=O 3603764 CKCMFVLQFXZKEU-UHFFFAOYSA-N 355.397 3.853 0 40 FHAB CC[C@@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCCc1ccccc1 3895896 CAYDQTWMYYDYFQ-LNXHZJMOSA-N 358.526 3.703 0 40 FHAB CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C1=O 409235068 ADMHFNUGDYIMDZ-LDADJPATSA-N 354.381 3.707 0 40 FHAB COc1ccc(NC2=N[C@@H](c3ccccc3)N3C(O)=CC(C)=NC3=N2)cc1 9089950 RJPDQLRUJWSNIU-GOSISDBHSA-N 361.405 3.707 0 40 FHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1sccc1C 14015717 YPXIXEODNLKXBY-UHFFFAOYSA-N 361.854 3.609 0 40 FHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc(Cl)ccc1F 14019031 GKZZFQSETAICOJ-GFCCVEGCSA-N 358.804 3.893 0 40 FHAB Cc1c(Cl)cccc1Nc1nn(CN2CCOCC2)c(=S)s1 14114601 FTGILBRLEQRNKI-UHFFFAOYSA-N 356.904 3.669 0 40 FHAB Cc1cccc(OCCSc2nnc(-c3ccccc3Cl)n2N)c1 4524018 QKYIXRROOYFIJR-UHFFFAOYSA-N 360.870 3.792 0 40 FHAB COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3[nH]2)cc1 15084793 QJPJPTLBSMOCTD-OAHLLOKOSA-N 373.416 3.540 0 40 FHAB O=C(CSc1nncs1)NCCC(c1ccccc1)c1ccccc1 7194363 DNYAUBTYESZPKH-UHFFFAOYSA-N 369.515 3.969 0 40 FHAB COc1ccc(OCc2nnc(SCCOc3ccccc3)n2C)cc1 7341915 XEJPMHMCJRRYIY-UHFFFAOYSA-N 371.462 3.574 0 40 FHAB O=C(NCc1cccnc1)c1cn(Cc2ccccc2)nc1-c1cccs1 8229604 YUPWUUKCVNEZRA-UHFFFAOYSA-N 374.469 3.985 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)COc1ccc(Cl)cc1 8388179 KQEDRRQXSYZRFT-UHFFFAOYSA-N 369.852 3.838 0 40 FHAB Cc1ccsc1/C=C/C(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 8349767 SCYOFXDWBWVSMO-HVHJFMEUSA-N 352.463 3.870 0 40 FHAB Cc1ccc(Cn2ccc(NC(=O)COc3ccc4c(c3)CCC4)n2)cc1 17074424 IRWFSVXNLYANHG-UHFFFAOYSA-N 361.445 3.746 0 40 FHAB C[C@H]1CC[C@@H]2C(=O)N(c3cccc(OC(=O)c4ccccc4)c3)C(=O)[C@@H]2C1 17986642 XPEWGBFEFDMETC-ZOCIIQOWSA-N 363.413 3.831 0 40 FHAB CN(Cc1nc(C(F)(F)F)no1)C(=O)Cc1c(Cl)cccc1Cl 95448368 ZTJDDFSEZDFMOX-UHFFFAOYSA-N 368.142 3.596 0 40 FHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccsc3)n2)s1 9645101 UVNJNIRZNXLJOG-UHFFFAOYSA-N 363.489 3.822 0 40 FHAB COc1ccc(CNC(=O)/C=C/c2nc3ccccc3s2)c(OC)c1 83927872 VMRPPQNNSFBPCR-MDZDMXLPSA-N 354.431 3.643 0 40 FHAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccccc2-c2nnnn2C2CC2)C1(C)C 74070460 SZXYHHVVZIDZOH-WBVHZDCISA-N 351.454 3.852 0 40 FHAB CN(CN1N=C(c2ccc(F)cc2)CCC1=O)[C@H]1CCc2ccccc21 95949321 QPHLQHTYBMXKFX-FQEVSTJZSA-N 351.425 3.729 0 40 FHAB CC(C)C[C@H]1C[C@@H](NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)CCO1 95991259 GBDRYSFGGLBQCB-ROUUACIJSA-N 369.465 3.938 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCCCC12OCCO2 89448799 DMXRMXIREDDACR-NHYWBVRUSA-N 374.264 3.563 0 40 FHAB Cc1ccnc(SCc2nc3scc(C)n3c2Br)n1 27093220 VVBASDNVYOTQOP-UHFFFAOYSA-N 355.286 3.857 0 40 FHAB COc1ccc(-c2cnc3n2C[C@H]2CN(Cc4cccs4)C[C@H]2C3)cc1 306135169 OJSVPQZBCAVOEE-IAGOWNOFSA-N 365.502 3.925 0 40 FHAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)C1 20493272 RVXXUIKOBBBIOO-MRXNPFEDSA-N 366.461 3.577 0 40 FHAB CCCn1nc(C(=O)Nc2nc3c(ccc4ccccc43)s2)ccc1=O 23683214 SYJABENWYAEITJ-UHFFFAOYSA-N 364.430 3.669 0 40 FHAB COC(=O)c1ccc(NC(=O)CSc2cccc3cccnc23)cc1 20220866 XOKXJPPIHXNHGC-UHFFFAOYSA-N 352.415 3.752 0 40 FHAB CCC(=O)Nc1cccc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)c1 408621180 KFBVUXZRKWWFHZ-UHFFFAOYSA-N 370.302 3.852 0 40 FHAB Cc1cccn2c(=O)cc(CSc3ccccc3NC(=O)C3CC3)nc12 33026035 GZFBZIBIZIXZFA-UHFFFAOYSA-N 365.458 3.644 0 40 FHAB Clc1cccc(-c2noc(CCN3CCC(c4ncc[nH]4)CC3)n2)c1 531427468 VIDKOSXCGWQNJF-UHFFFAOYSA-N 357.845 3.535 0 40 FHAB COc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c(C)n1 72218114 ZPPFWMNHVGKAIL-GOSISDBHSA-N 360.479 3.623 0 40 FHAB COc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1OC 38834960 IMSBDKWKWHEUBL-INIZCTEOSA-N 372.440 3.694 0 40 FHAB C[C@H]1Cc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2N1 78403957 RMVHROFJIKGIGG-JTQLQIEISA-N 356.369 3.863 0 40 FHAB Cc1cccc(NC(=O)CSCC(=O)N(Cc2ccccc2)C2CC2)c1 37162586 ZIPGXYFVUMHWAG-UHFFFAOYSA-N 368.502 3.858 0 40 FHAB Cc1cccc(C)c1N[C@H]1CC(=O)N(c2ccccc2Br)C1=O 36635814 JVMTTXBJVISYDS-AWEZNQCLSA-N 373.250 3.810 0 40 FHAB O=C(O)c1ccc(-c2nc(CN3CCC([C@@H]4CCCO4)CC3)cs2)cc1 569582841 CIHTUMFDZMPHSZ-SFHVURJKSA-N 372.490 3.899 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)Cc1ccc(OC)c(C)c1 224043336 YIVKVZPNNPMVEH-OAHLLOKOSA-N 354.450 3.713 0 40 FHAB CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2F)SC1=S 222170073 VDKVCYDUJVQFKY-QUMQCBJBSA-N 353.440 3.526 0 40 FHAB Cc1ccnc(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)c1 225833999 SCWOPVWVRPTVJK-UHFFFAOYSA-N 359.842 3.580 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1 224286561 DLZCROSUBQPCNL-UHFFFAOYSA-N 359.382 3.517 0 40 FHAB CCOC(=O)c1ccc(NC(=S)NC2(CCOC)CCCC2)c(C)c1 225864902 PQOYMYNFDXUDCE-UHFFFAOYSA-N 364.511 3.807 0 40 FHAB O=C(NCc1ccnc(-c2cccs2)c1)c1cccc(-n2cccn2)c1 225652311 ZVENQLGLWNAXKE-UHFFFAOYSA-N 360.442 3.926 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N[C@@H](C)C(C)C)cc1 225197828 LTXFBNQXEKCZNK-INIZCTEOSA-N 374.506 3.594 0 40 FHAB Nc1ccc(N2CCCC2)c(NC(=O)c2cccc(Br)c2)c1 226255740 ZVHQSDNIGUSHTN-UHFFFAOYSA-N 360.255 3.884 0 40 FHAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)[nH]1 223878595 UQGYSGTZRMDCBB-ROUUACIJSA-N 350.447 3.601 0 40 FHAB O=C(c1ccc[nH]1)N1CCC2(CC1)C[C@@H](c1cncnc1)c1ccccc12 96079287 HVOHACJWBNVHOJ-SFHVURJKSA-N 358.445 3.514 0 40 FHAB COc1cc2cc(C(=O)NCCSc3ccccc3)n(C)c2cc1OC 96118457 BPCVTSAXBLOMAN-UHFFFAOYSA-N 370.474 3.718 0 40 FHAB CN(C)C(=O)C[C@H]1CC2(CCN(C(=O)C3CCCC3)CC2)c2ccccc21 96242064 OVNDBNKOEYQJRG-SFHVURJKSA-N 368.521 3.703 0 40 FHAB Cc1cccc(CN2CCC3(CC2)OCC[C@@H]3CCOc2cccnc2)n1 247874875 NJHPSJZNOXPCIG-IBGZPJMESA-N 367.493 3.625 0 40 FHAB CCCCC(=O)N1CCC(Cc2cc(Nc3cc(C)n[nH]3)nc(C)n2)CC1 257290686 QDXVCNLNXQXOBC-UHFFFAOYSA-N 370.501 3.531 0 40 FHAB Cn1cncc1-c1cncc(C2CCN(Cc3cc(F)cc(F)c3)CC2)n1 257218327 DCTDUYOYNBRABS-UHFFFAOYSA-N 369.419 3.535 0 40 FHAB O=C([C@@H]1CC=CCC1)N1CCC(c2cccc(Nc3cnccn3)n2)CC1 257341489 ZKOKJJDXVQIPFD-QGZVFWFLSA-N 363.465 3.678 0 40 FHAB Nc1nccc([C@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)cc2)n1 257236079 HAROYCFYDIBLHO-HXUWFJFHSA-N 374.444 3.761 0 40 FHAB Cn1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)c(C2CCCCC2)n1 588642284 VYWWPLSRCPVFFY-UHFFFAOYSA-N 363.465 3.965 0 40 FHAB CC[C@@H](c1ccccc1)c1n[nH]c(=NC(=O)NCc2ccccc2)s1 592471781 IKTIKCVCGIKEJA-INIZCTEOSA-N 352.463 3.824 0 40 FHAB Nc1cc(C(F)(F)F)cc(Br)c1I 95831399 KUKAECLMAIAFSU-UHFFFAOYSA-N 365.918 3.655 0 40 FHAB N=[S@@]1(=O)CCN(C(=O)c2cccc(-n3cccc3)c2)c2ccccc21 1775996719 FSTANRYEBNCTBJ-RUZDIDTESA-N 351.431 3.543 0 40 FHAB Cn1c(C(=O)Nc2cccc([S@](C)=O)c2)ccc1-c1ccc(F)cc1 110938663 IRMUXDWHMYJLFA-RUZDIDTESA-N 356.422 3.821 0 40 FHAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccc(F)cc1)CC3 24743440 XMFYCAKEGYEZHA-UHFFFAOYSA-N 367.380 3.684 0 40 FHAB CC1(C)CC[C@H]2CN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC[C@@]2(C)O1 585284027 DYLWLLHJHBFCQM-HRAATJIYSA-N 353.466 3.887 0 40 FHAB C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@H](C)Cn1cccn1 52665757 GCTMCBBEPRHWTP-MNOVXSKESA-N 358.294 3.875 0 40 FHAB O=c1c(-c2ccc(Cl)cc2)coc2c3c(ccc12)OCN(CCCO)C3 54313685 VHUCYVUSSSMHFF-UHFFFAOYSA-N 371.820 3.648 0 40 FHAB biogenic Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)CC[C@@H]2CCCCO2)cc1 72303169 ZBDNABHCRLZQAC-SFTDATJTSA-N 359.510 3.894 0 40 FHAB Cc1cc(CNC(=O)CCn2nc(C)c(C)c2C)c2[nH]c(C)c(C)c2c1 12203542 HSPVIIFINNSFCN-UHFFFAOYSA-N 352.482 3.921 0 40 FHAB OC1(c2ccc(F)cc2)CCN(Cc2ccccc2N2CCCC2)CC1 12240673 GHOWVOBSRJPZHY-UHFFFAOYSA-N 354.469 3.910 0 40 FHAB O=C1O[C@@H](C(=O)Nc2ccc(N3CCCCCC3)cc2)Cc2ccccc21 12631978 AMGLMFNGIOWLLD-HXUWFJFHSA-N 364.445 3.787 0 40 FHAB O=C(CSc1nnc(-c2cccs2)c(O)n1)c1ccc(Cl)s1 13566607 PYYGCBBGZAWGBA-UHFFFAOYSA-N 369.880 3.996 0 40 FHAB Cc1ccc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C2CCCC2)cc1 13571203 WEBRDONGHWELDK-UHFFFAOYSA-N 361.445 3.817 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1cc(C)cc(C)c1 14400555 NPUXSTQVPYLYAZ-MRXNPFEDSA-N 354.450 3.849 0 40 FHAB Cc1ccc(C(=O)N2CCC[C@H]2c2nnc(-c3scnc3C)o2)cc1 19135365 ZHTLZPAKJKSTPK-AWEZNQCLSA-N 354.435 3.787 0 40 FHAB Cc1ccc(-c2c(C(F)(F)F)nn3c(O)cc(-c4cnccn4)nc23)cc1 19212061 QTEBZOZIYQQUCB-UHFFFAOYSA-N 371.322 3.886 0 40 FHAB Cc1ccsc1CN1CCC[C@@H](Cn2nnc(-c3cccs3)n2)C1 19238649 OAKBADSUACVOCD-CQSZACIVSA-N 359.524 3.684 0 40 FHAB CCCC(=O)N[C@@H](Cc1cc(NC)nc(C2CC2)n1)c1cccc(C)c1 19501716 SQPRBTHBIRXNFG-SFHVURJKSA-N 352.482 3.904 0 40 FHAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)n1 19572764 IMEBNOZIACDLQJ-ZWKOTPCHSA-N 373.472 3.908 0 40 FHAB CSc1ccc(/C=C/C(=O)OCC(=O)NCCC2=CCCCC2)cc1 6362658 PRAYBVRPANHBPH-FMIVXFBMSA-N 359.491 3.972 0 40 FHAB CCN(CC)CCC[C@H](C)NC/C=C/CN[C@@H](C)CCCN(CC)CC 6382117 SKSMATDELKNRQJ-KFDAMUOLSA-N 368.654 3.743 0 40 FHAB C[C@H](CC[C@@]1(C)[C@@H]2C[C@@H](O)C=C(C(=O)O)[C@@]2(C)CC[C@H]1C)CC(=O)O 253389951 WKLBQXBQKCRIRS-HKTRYCSPSA-N 352.471 3.712 0 40 FHAB biogenic,in-vitro CCSc1ccc(C(=O)NCc2ccc(-n3ccnc3C)c(F)c2)cn1 590020676 OJTCHEVPUOUFMJ-UHFFFAOYSA-N 370.453 3.757 0 40 FHAB Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2)n1C 5209764 ISBQHXFJYZTARP-AWEZNQCLSA-N 352.463 3.910 0 40 FHAB CCOc1ccc(NC(=O)NCCc2ccc(-c3cnn(C)c3)cc2)cc1 1889277381 BTLLWBINAFKFSY-UHFFFAOYSA-N 364.449 3.850 0 40 FHAB COc1ccc2sc(N(CCN(C)C)C(=O)c3cccc(F)c3)nc2c1 5121501 YENZTNMBTCYJNL-UHFFFAOYSA-N 373.453 3.652 0 40 FHAB COCCn1c([C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)nc2ccccc21 7543942 XWBMAEDYOMYAJB-QGZVFWFLSA-N 363.461 3.820 0 40 FHAB Cc1cc(C(=O)N(Cc2ccccn2)c2nc3ccccc3s2)nn1C 9002387 PWAMECVVTMSVSR-UHFFFAOYSA-N 363.446 3.580 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccncc3)on2)cc1Cl 40153058 ZXZKITXMLREELP-UHFFFAOYSA-N 356.769 3.601 0 40 FHAB O=C(Nc1n[nH]c(-c2ccccn2)n1)c1cccc(Oc2ccccc2)c1 40116281 HDGLIFXFMSSVLG-UHFFFAOYSA-N 357.373 3.911 0 40 FHAB CN(C[C@@H]1CCCN(c2cnc3ccccc3n2)C1)C(=O)OC(C)(C)C 40158228 BUHOUWARFOEWGK-HNNXBMFYSA-N 356.470 3.713 0 40 FHAB CCCCCn1c(=O)c(C(=O)Nc2ccc(O)cc2)c(O)c2ccccc21 100498511 JYHSQTQIKNIORE-UHFFFAOYSA-N 366.417 3.855 0 40 FHAB CC(C)c1ccc(S(=O)(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 32097956 CUHFJGLFMIRWTM-UHFFFAOYSA-N 358.467 3.936 0 40 FHAB O=C(Nc1ccc(F)cc1)[C@H]1CC(O)=Nc2cc(-c3ccccc3)nn21 20730052 YXHWNRPOKZEOCS-MRXNPFEDSA-N 350.353 3.861 0 40 FHAB O=C(NCCC(=O)N1CCCC1)c1sc2cc(Cl)ccc2c1Cl 32721344 LDAAKDSEGCVEGR-UHFFFAOYSA-N 371.289 3.950 0 40 FHAB Cc1ccc(C(=O)NCc2cccc(NC(=O)c3cccnc3)c2)cc1F 32809200 YFRSYBQXKVROPH-UHFFFAOYSA-N 363.392 3.711 0 40 FHAB CCOc1ccc([C@]2(O)C[N+]3=C(CCCCC3)N2c2ccccc2)cc1 627253 YYPWDRNTNHDQPY-JOCHJYFZSA-N 351.470 3.736 0 40 FHAB O=C(Nc1cc(C(F)(F)F)cc(Cl)n1)[C@H]1COc2ccccc2O1 806659 IQIQIFNGUYOPMH-LLVKDONJSA-N 358.703 3.532 0 40 FHAB Cc1cc2ccccc2nc1SCC(=O)NCc1ccc2c(c1)OCO2 902899 WEJIQIKEJOERSF-UHFFFAOYSA-N 366.442 3.680 0 40 FHAB CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1C1CC1 1368514 BSXOCAZETITZAV-UHFFFAOYSA-N 350.875 3.868 0 40 FHAB COc1ccc(-c2nnnn2-c2cc(OC)c(Cl)cc2Cl)cc1 1392320 PTFWUZLYAXAKEP-UHFFFAOYSA-N 351.193 3.653 0 40 FHAB S=C(c1ccc2c(c1)OCO2)N1CCN(c2ccccc2Cl)CC1 1730963 ZEBHXGKYGURGKL-UHFFFAOYSA-N 360.866 3.566 0 40 FHAB O=C1S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1CNc1ccccc1F 2120209 IHTKDPFQXICXGJ-PXNMLYILSA-N 372.377 3.660 0 40 FHAB COc1cccc(-c2nc(N3C[C@H](C)O[C@@H](C)C3)c3ccccc3n2)c1O 2235906 QIRDYARJEYCALQ-KBPBESRZSA-N 365.433 3.625 0 40 FHAB Cc1ccc(-n2ncc3c2ncn2c(CCc4ccccc4)nnc32)c(C)c1 2440566 CTNFWCGDFBHYDG-UHFFFAOYSA-N 368.444 3.865 0 40 FHAB CC1=C(C)C[C@@H](C(=O)Nc2cccc(Br)c2)[C@H](C(=O)O)C1 2801792 MKGJJHCGSSYNHZ-ZIAGYGMSSA-N 352.228 3.835 0 40 FHAB CC(C)c1ccc(NC(=O)COC(=O)c2ccc(Br)o2)cc1 3240040 NYFBOXWPOQWQRL-UHFFFAOYSA-N 366.211 3.961 0 40 FHAB O=C(O[C@@H]1CCOC1=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 3427496 UCJLJWLTOPICQC-OAHLLOKOSA-N 350.292 3.845 0 40 FHAB O=C(/C=C/c1ccccc1)NC(=S)N1CCCC[C@H]1c1cccnc1 3999735 NGYHJKKFJJMCRB-DXRVJIQQSA-N 351.475 3.723 0 40 FHAB biogenic O=c1ccc(-c2nc(-c3ccncc3)no2)cn1Cc1ccc(Cl)cc1 4050437 KZHJOEUNBYOLHH-UHFFFAOYSA-N 364.792 3.662 0 40 FHAB CCC(CC)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2 4105901 PZFBNVLQXGGMPH-XMMPIXPASA-N 365.886 3.663 0 40 FHAB CCOC(=O)[C@H](CC)Sc1ccc2nnc(-c3ccc(C)cc3)n2n1 4164853 GQSVLMIXUQPXDT-AWEZNQCLSA-N 356.451 3.534 0 40 FHAB COc1ccc(-c2nonc2NC(=O)c2ccccc2Cl)cc1OC 5452085 ARGVGVWNJUOKIZ-UHFFFAOYSA-N 359.769 3.660 0 40 FHAB Cc1cnc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)s1 6085602 NOWIQRUGALMLPB-UHFFFAOYSA-N 357.435 3.817 0 40 FHAB O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCO2 6269128 VRKKSLSWBMAYGV-UHFFFAOYSA-N 368.336 3.561 0 40 FHAB O=c1cc(COc2ccc(Cl)cc2Br)nc2sccn12 6321026 MQNJUZQSIUUVAL-UHFFFAOYSA-N 371.643 3.751 0 40 FHAB CCN(CC)Cc1ccc(NC(=S)NC(=O)c2ccccc2C)cc1 6629903 WGTSUVQVKZFHNZ-UHFFFAOYSA-N 355.507 3.964 0 40 FHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1cccc2ccccc12 6954712 JUDCPLVQQYFLNK-UHFFFAOYSA-N 366.442 3.984 0 40 FHAB CSc1ccc(Cl)c(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1 6993766 YAQBSPKXSORCBF-UHFFFAOYSA-N 374.893 3.660 0 40 FHAB Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F 7708578 RMPSIVGJOVKOHM-UHFFFAOYSA-N 367.780 3.510 0 40 FHAB O=C(CN1CCC(c2nc3ccccc3o2)CC1)Nc1cc(F)ccc1F 7983070 FOMBHIWHIPUQCT-UHFFFAOYSA-N 371.387 3.924 0 40 FHAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1cccc(C(=O)OC)c1C 8041701 VDHTZNVDAQYLNQ-INIZCTEOSA-N 357.406 3.586 0 40 FHAB CCc1nnc2sc(-c3cccc(NC(=O)/C=C/c4ccco4)c3)nn12 8071442 SLUIVPQSVJGFKW-CMDGGOBGSA-N 365.418 3.660 0 40 FHAB CCCn1c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nc2ccccc2c1=O 8195411 CJODEVQKVXWADH-GJZGRUSLSA-N 373.522 3.688 0 40 FHAB Fc1ccccc1OCCn1nnc(-c2cccc(C(F)(F)F)c2)n1 8314914 IYBIENYZPKEUEM-UHFFFAOYSA-N 352.291 3.577 0 40 FHAB CCC(CC)C(=O)Nc1ccc(OCc2cc(=O)n3ccsc3n2)cc1 8603643 IZTMMFMATQTTNE-UHFFFAOYSA-N 371.462 3.710 0 40 FHAB CCOC(=O)c1cc2cc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)ccc2s1 8782728 SLNGYHCROBSZCA-KBPBESRZSA-N 373.430 3.684 0 40 FHAB Nc1ccc(Cl)cc1C(=O)OCC(=O)N1CCC[C@H]1c1cccs1 9315321 MGMQUDLUCKZTSF-AWEZNQCLSA-N 364.854 3.504 0 40 FHAB CCn1c(CNC(=O)Cc2ccc(Br)cc2)nc2ccccc21 9467612 XWQVDHFJOFZPMH-UHFFFAOYSA-N 372.266 3.678 0 40 FHAB CS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)ccc2Cl)cc1 9596984 RFBZJDGJPQGJKV-UHFFFAOYSA-N 358.246 3.578 0 40 FHAB CN(C)[C@@H](CNC(=O)Cc1cccc2ccccc12)c1ccc(F)cc1 10329680 MYGNBGPWRZUJJY-NRFANRHFSA-N 350.437 3.941 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC(C)(C)C)c2C)cc1 10365600 QGXPXFDCOXATKT-UHFFFAOYSA-N 360.479 3.633 0 40 FHAB COc1ccc(-n2c(N)c(C(=O)Nc3nccs3)sc2=S)cc1 11915336 UARBNCMAVRJDQS-UHFFFAOYSA-N 364.477 3.568 0 40 FHAB Cc1ccc(-c2cc(C[C@@]3(C(=O)O)CCCN(C(=O)C(C)C)C3)on2)cc1 12366479 DOKHRKONIJQYBS-NRFANRHFSA-N 370.449 3.542 0 40 FHAB Cc1noc(C)c1CN(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 12569077 NJQATIALUVARSB-UHFFFAOYSA-N 374.444 3.730 0 40 FHAB Cc1cc(-c2cc(C(=O)NC[C@H]3CCCO3)c3c(C)noc3n2)c(C)s1 12887479 ZGCKHSQHNRAHCH-CYBMUJFWSA-N 371.462 3.785 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(Br)s1 12924456 SDHZMWPVCMFCEL-UHFFFAOYSA-N 367.268 3.903 0 40 FHAB CCCCN1C(=O)CC[C@H](C(=O)NC2CCCC2)[C@H]1c1ccccc1OC 12973954 AAHONZVQOHQDFB-GHTZIAJQSA-N 372.509 3.834 0 40 FHAB CN(Cc1ccc(Br)cc1)[C@@H](C(=O)NC1CC1)c1ccccc1 12998955 WXHQCSIXYRZXIN-GOSISDBHSA-N 373.294 3.901 0 40 FHAB COC(=O)c1ccc(OC(=O)/C=C/c2ccc(Br)s2)cc1 13141555 VRDFWUFUZQGZGY-VQHVLOKHSA-N 367.220 3.916 0 40 FHAB Cc1cnc(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)cn1 14190654 QKVBQUVGWUFZTN-UHFFFAOYSA-N 362.220 3.589 0 40 FHAB CCCCCCc1c(C)nc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O 14608495 MUEBLZRQNSKUGV-UHFFFAOYSA-N 368.525 3.523 0 40 FHAB COC(=O)c1ccc(S(=O)(=O)Oc2ccc(Cl)cc2Cl)cc1 15323762 AAFCMNTVBMLYPZ-UHFFFAOYSA-N 361.202 3.548 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C)nc2O)cc1 16777042 HVNTYBMZTYRQPL-UHFFFAOYSA-N 366.446 3.592 0 40 FHAB Cc1cccc(Nc2nc(NC[C@H](C)O)nc3c2cnn3-c2ccccc2)c1 17135428 MXOHAESIQZMMNK-HNNXBMFYSA-N 374.448 3.660 0 40 FHAB COc1cccc(CN2CCC[C@@H]2c2nnc(-c3ccc(C)nc3)o2)c1 19215096 MWJOTQCAHAITGY-GOSISDBHSA-N 350.422 3.786 0 40 FHAB Cc1cccc(N2CCN(C[C@H](O)c3c[nH]c4ccc(F)cc34)CC2)c1C 19235638 BFSZDOZSQYHCMP-QFIPXVFZSA-N 367.468 3.779 0 40 FHAB Cc1ccsc1CN(Cc1cnn(-c2ccc(F)cc2)c1)C[C@@H](C)O 19238602 DZYFVYNEKGSSKR-OAHLLOKOSA-N 359.470 3.764 0 40 FHAB COc1ccc(CN2CCCCC[C@H]2c2ccn(C)n2)c(OC)c1OC 19291072 BJKYQHSUTHAPAS-KRWDZBQOSA-N 359.470 3.563 0 40 FHAB O=C(Nc1cccc(Cn2cccn2)c1)c1cc(-c2ccc(F)cc2)no1 19659406 FKTPJGLDGIODSC-UHFFFAOYSA-N 362.364 3.978 0 40 FHAB COc1ccc(S[C@H](C)C(=O)NCCCN2CCCCCC2)cc1 20109158 VOMXXWGXVLMCSP-MRXNPFEDSA-N 350.528 3.558 0 40 FHAB COc1ccc(C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)cc1 20141663 MWAMBIFWJOZDLO-UHFFFAOYSA-N 353.374 3.708 0 40 FHAB COc1cc(CNCCc2ccc(F)cc2)cc(Br)c1OC 20228213 WWOLEXTUEVHOCV-UHFFFAOYSA-N 368.246 3.938 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)c1cc(F)ccc1F)c1ccc(Cl)cc1 21600973 PDQOGZYDNVRFHI-INIZCTEOSA-N 361.779 3.871 0 40 FHAB CC(C)n1ncc2cc(C(=O)O[C@@H](C)c3nc(C(C)(C)C)no3)cnc21 24048863 QCSWCAXMINYCKK-NSHDSACASA-N 357.414 3.611 0 40 FHAB O=C(OCc1cc(-c2ccco2)on1)c1ccc(OCC(F)(F)F)nc1 24118479 JIMGXWLFIQQQDZ-UHFFFAOYSA-N 368.267 3.628 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)N1CCC(c2nnc3ccccn23)CC1 24326720 KWVDTZWKLIAQDQ-UHFFFAOYSA-N 373.460 3.549 0 40 FHAB COc1ccccc1-c1cc(COC(=O)C2=Cc3ccccc3OC2)on1 26276542 XOAJEFQJMMGCGG-UHFFFAOYSA-N 363.369 3.869 0 40 FHAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccn(Cc2ccccc2)n1 28247295 VVJMGXLQUROYPB-UHFFFAOYSA-N 355.825 3.911 0 40 FHAB CCN1CCN(c2ccc(NC(=O)Nc3ccccc3F)c(C)c2)CC1 28799473 KSRJHOWDPXCXOU-UHFFFAOYSA-N 356.445 3.920 0 40 FHAB CCCN(CC(=O)Nc1ccccc1C)Cc1nc(-c2cccs2)no1 31003160 LNRSXVJWPLRPPD-UHFFFAOYSA-N 370.478 3.957 0 40 FHAB Cc1ccc(OCC(=O)NCc2cccc(CN3CCCC3)c2)c(C)c1 32462942 QKACQNVRIJGPEN-UHFFFAOYSA-N 352.478 3.594 0 40 FHAB CC(C)(C)NC(=O)Cc1ccc(NC(=O)[C@@]2(C)CC2(Cl)Cl)cc1 33073653 DLHBOVQRIRTOFK-MRXNPFEDSA-N 357.281 3.666 0 40 FHAB COc1ccc(C(=O)c2cccc(I)c2)cc1OC 37359935 JMSBROOMAKIXCG-UHFFFAOYSA-N 368.170 3.539 0 40 FHAB CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 40145754 FGHCFCGMBULCTI-IAGOWNOFSA-N 360.454 3.817 0 40 FHAB CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(OC)cc1 40152980 FNRAWTRLQCGECD-IBGZPJMESA-N 368.481 3.609 0 40 FHAB Cn1c(SCc2nc3cc(Cl)ccc3n2C)nnc1-c1ccco1 43242033 YRVAOTAUBXIYHW-UHFFFAOYSA-N 359.842 3.908 0 40 FHAB CC[C@H]1CCCCN1C(=O)CN1CCC[C@@H]1c1ccc(OC)c(OC)c1 45004489 MJKQQJYJPXUONT-ZWKOTPCHSA-N 360.498 3.632 0 40 FHAB O=C(NCc1ccc(F)cc1)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 47727763 HCVLJZJJPGGLRC-UHFFFAOYSA-N 361.804 3.693 0 40 FHAB COc1ccccc1-c1n[nH]c(NC(=O)c2csc3c2CCCC3)n1 48012182 QUTMLOZYQWNVHK-UHFFFAOYSA-N 354.435 3.673 0 40 FHAB O=C(Nc1nc(-c2cccs2)cs1)c1c[nH]c(C(=O)N2CCCC2)c1 48358432 UPPJKVWDSBEKMC-UHFFFAOYSA-N 372.475 3.688 0 40 FHAB Cc1c(C(=O)Nc2nnc(-c3ccsc3)o2)cnn1-c1ccccc1 49448767 VPZMPDNLTHNEAL-UHFFFAOYSA-N 351.391 3.545 0 40 FHAB Cc1ccc(NC(=O)c2cccnc2SCc2cc(C)on2)c(O)c1 52949005 HNCZSJMWUMDULK-UHFFFAOYSA-N 355.419 3.937 0 40 FHAB COc1ccc(CSc2nncn2C2CC2)c(Br)c1OC 54916108 DSTPIVDJYRKZSJ-UHFFFAOYSA-N 370.272 3.685 0 40 FHAB CCc1ccc(NC(=O)Cn2c(-c3ccccc3)nc(CC)cc2=O)cc1 57527063 XSQFMVXPJQGDIL-UHFFFAOYSA-N 361.445 3.674 0 40 FHAB CCCc1noc(CCC(=O)Nc2cccc(CN3CCCCC3)c2)n1 58161722 CUGYAHXAWGESFZ-UHFFFAOYSA-N 356.470 3.579 0 40 FHAB Cc1ccc(-c2nc(C)c(C(=O)NCc3ccnc(C)n3)s2)c(C)c1 58208712 QMBXIIRXUBJALO-UHFFFAOYSA-N 352.463 3.764 0 40 FHAB Cc1cc(N2CCO[C@H](c3cccc(F)c3)C2)nc(-c2ccncc2)n1 66814624 QEUKSHAVWYIOIZ-SFHVURJKSA-N 350.397 3.564 0 40 FHAB C[C@@H](NC(=O)C(=O)Nc1cnc2ccccc2c1)c1ccccc1Cl 70727544 RMVYIIAOZPRXLP-GFCCVEGCSA-N 353.809 3.704 0 40 FHAB Clc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3cccnc3)n2)c1 72322134 ZCNDUILIWWNVBU-SFHVURJKSA-N 354.841 3.699 0 40 FHAB biogenic,in-vitro O=C(COC(=O)c1nccc2ccccc12)Nc1ccc(Cl)cc1F 72330294 UZEVHURZMNGUSV-UHFFFAOYSA-N 358.756 3.823 0 40 FHAB CCC(=O)N1CCC(Cc2ccccc2-c2cccs2)(C(=O)NC)CC1 72345054 AOUALYODTBAVEZ-UHFFFAOYSA-N 370.518 3.722 0 40 FHAB COCCN1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 72359358 BHGLLPYLRIZMOS-HNNXBMFYSA-N 365.399 3.988 0 40 FHAB COc1ccc(N2Cc3cc(Cl)cc(OC)c3O[C@@H](C)C2=O)cc1F 75165564 OPWDSMLJHRWKKK-JTQLQIEISA-N 365.788 3.810 0 40 FHAB Cc1cccc(-c2noc(CNC(=O)CCSCc3ccccc3)n2)c1 78579525 UFHRGKTXECQYQG-UHFFFAOYSA-N 367.474 3.985 0 40 FHAB CCCc1nnsc1C(=O)Nc1ccc(-c2cnc3n2CCC3)cc1 85471597 QKRDLUGQLOSRAZ-UHFFFAOYSA-N 353.451 3.553 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 89212851 LQSSNNDIKGRBEQ-CQSZACIVSA-N 359.875 3.513 0 40 FHAB Cc1cc(C)c2c(c1)[C@H](NC(=O)c1cccnc1OCC(F)F)CCO2 95444833 VNRPRCFTTMLXEP-OAHLLOKOSA-N 362.376 3.596 0 40 FHAB COc1cccc2cc(C(=O)NC[C@@H](O)c3ccc(SC)cc3)oc12 96103121 PTWJHPAZBPAAAU-OAHLLOKOSA-N 357.431 3.627 0 40 FHAB Cc1ccc(C2=C[C@@H](c3ccccc3OC(F)F)n3nnnc3N2)cc1 102800053 PWGUUJDCMZREAU-HNNXBMFYSA-N 355.348 3.639 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219499060 LOFVAYOWDMGKIY-GDBMZVCRSA-N 355.434 3.881 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)Cc2ccc(Cl)cc2F)cc1 223633670 DTNXZPVBVGUING-GFCCVEGCSA-N 351.805 3.614 0 40 FHAB CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc2ccccc2c1 225051648 XHFCBOLSXWZLFY-UHFFFAOYSA-N 369.442 3.842 0 40 FHAB Cc1cc(C)nc(Nc2ccc(C(=O)N3CCOc4ccccc43)cc2)n1 225912816 ZBHGYGDNQFOZBQ-UHFFFAOYSA-N 360.417 3.876 0 40 FHAB COc1cc(N)cc(Cl)c1NC(=O)c1ccccc1Br 227146687 RUGZERLOSZMAPD-UHFFFAOYSA-N 355.619 3.946 0 40 FHAB Cc1n[nH]c(C)c1CNC(=O)CCCn1cc(-c2ccc(Cl)cc2)cn1 227164161 INRYMUQCBWSDSE-UHFFFAOYSA-N 371.872 3.640 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccnc(OC2CCCC2)c1 245170844 XIVSUJIEJQVWFS-UHFFFAOYSA-N 369.421 3.622 0 40 FHAB O=C(CSc1nnc(-c2ccccc2Cl)[nH]1)N[C@@H]1C[C@H]2CC[C@H]1C2 260492663 GIBJOMBVSYFVQQ-COPLHBTASA-N 362.886 3.522 0 40 FHAB c1ccc(-c2ccc3c([C@H]4CN(Cc5ccoc5)CCO4)nnn3c2)cc1 306133387 MKBJMEQWKJTVKH-HXUWFJFHSA-N 360.417 3.563 0 40 FHAB O=C(NC[C@](O)(c1ccsc1)c1ccco1)c1ccc2ncsc2c1 390827693 JFEORPNACYGLKB-SFHVURJKSA-N 370.455 3.617 0 40 FHAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(C(=O)O)cc3)S2)cc1 408783401 LANVBNCVDSVNLN-JVCXIRSZSA-N 354.431 3.547 0 40 FHAB Cc1ccc(-c2nn(CC(=O)Nc3ccc(C(=O)O)cc3)c(=S)o2)cc1 409151864 CMMRHAXKNQUICR-UHFFFAOYSA-N 369.402 3.518 0 40 FHAB CC(C)CC(=O)N1CC[C@]2(C1)c1cccn1-c1ncccc1N2CC(C)C 585106763 HOACNFYBLQWTBP-QFIPXVFZSA-N 366.509 3.822 0 40 FHAB c1ccc(-c2cnc(N=c3cncc(C[C@@H]4CCCNCC4)[nH]3)s2)cc1 585263028 HXKMEOWDWKSBOQ-OAHLLOKOSA-N 365.506 3.698 0 40 FHAB CCSCc1cc(C(=O)N[C@@H]2CCc3ccccc3-n3ccnc32)no1 598571306 IAYYVZJAXLDVKK-OAHLLOKOSA-N 368.462 3.531 0 40 FHAB CO[C@@H](C(=O)Nc1ccc(C)cc1-c1nc2ccccc2[nH]1)[C@@H]1CCOC1 622789556 SIBIDUPLXIWKIM-AUUYWEPGSA-N 365.433 3.528 0 40 FHAB O=C1NC[C@]2(CCCCCCOc3ccc(Cl)cc31)CCCNC2 643561356 GZASFRKCMZFUAC-LJQANCHMSA-N 350.890 3.783 0 40 FHAB O=C([C@@H]1CCCN1c1ccccc1)N1CCC(c2c[nH]c3ncccc23)CC1 683829406 CJMAWUSOHPMRLG-NRFANRHFSA-N 374.488 3.938 0 40 FHAB CC(C)CN1CC[C@@H]2CN(C(=O)NC34CC5CC(CC(C5)C3)C4)C[C@@H]2CC1 2056223541 QYVDKDPLNXIXEZ-HFXJXKGHSA-N 373.585 3.965 0 40 FHAB CC[C@@H](C)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 821367 WHJSBLHNPPKVKH-VFNWGFHPSA-N 368.502 3.989 0 40 FHAB O=C1c2ccccc2C(=O)N1CCSc1nc2cc(Cl)ccc2[nH]1 3536057 PASZCGOPXYYQKU-UHFFFAOYSA-N 357.822 3.605 0 40 FHAB COCCN(C(=O)c1ccc(Cl)cc1)c1nnc(-c2ccncc2)s1 4881323 VIBYRSHOIUENQE-UHFFFAOYSA-N 374.853 3.547 0 40 FHAB CCOC(=O)c1cc(OC(=O)c2ccc(Cl)cc2)n(-c2ccccc2)n1 6721336 UIZUDAAQPXKRAS-UHFFFAOYSA-N 370.792 3.922 0 40 FHAB Cc1ccccc1OCCC(=O)Nc1cc(Cl)ccc1N1CCOCC1 6830389 CPPFGICAQWCKQO-UHFFFAOYSA-N 374.868 3.893 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)c1ccccc1Br 7643896 DYQBNZPNLZXCCC-UHFFFAOYSA-N 361.239 3.841 0 40 FHAB CCn1c(CCc2ccccc2)nnc1SCC(=O)N1CCCCCC1 8090020 BTWYVIGXSPGASG-UHFFFAOYSA-N 372.538 3.578 0 40 FHAB CCN1CCc2nc(NC(=O)COc3cc(C(C)C)ccc3C)sc2C1 23053414 SYOCTTLUARGEKC-UHFFFAOYSA-N 373.522 3.970 0 40 FHAB CC(C)=C[C@H]1[C@H](C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)C1(C)C 54262232 KJYWCRLHMSZGBS-PKOBYXMFSA-N 370.493 3.644 0 40 FHAB NC(=O)c1ccc(COC(=O)c2cc(Cl)c3ccccc3c2O)cc1 61526986 SNOGOIPPGRISEX-UHFFFAOYSA-N 355.777 3.655 0 40 FHAB Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2c(C)cccc2C)S(C)(=O)=O)c1 10365873 BVLWQPBGEXNOEZ-KRWDZBQOSA-N 374.506 3.713 0 40 FHAB CCOc1ccc([C@H](C)NC(=O)c2c(OC)cccc2OC)cc1OCC 10542788 UWTRMFSRRWTOMA-AWEZNQCLSA-N 373.449 3.992 0 40 FHAB CN(Cc1cnn(C)c1)C(=O)c1cn(Cc2ccccc2)c2ccccc12 24478053 HYEAPNBDGYDIGA-UHFFFAOYSA-N 358.445 3.695 0 40 FHAB CCOc1ccccc1N1CCN(C(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)CC1 24713784 VYKYBNCGQFRFLD-FXAWDEMLSA-N 356.510 3.972 0 40 FHAB CCCN(C(=O)c1cnn(-c2ccccn2)c1C)[C@H]1CCc2ccccc2C1 56351923 MQYRGIYENKQCOB-FQEVSTJZSA-N 374.488 3.985 0 40 FHAB COc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1 12694462 FVVGPTJZQUOQOC-LLVKDONJSA-N 359.369 3.754 0 40 FHAB CC(C)OC(=O)Cc1nc(CN2CCc3sccc3[C@H]2C)cs1 58010027 LGVAETFMNBTMML-GFCCVEGCSA-N 350.509 3.818 0 40 FHAB CC(C)CN(CCN(C)C)C(=O)N[C@H](C)c1ccc(Br)cc1 58167238 BSQHYNDWYHMLJS-CQSZACIVSA-N 370.335 3.739 0 40 FHAB CN(C)Cc1ccc(CN2[C@@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)cc1 100765323 YFSKCODKLVXBBJ-FGZHOGPDSA-N 368.496 3.902 0 40 FHAB CCOC(=O)C1(C(=O)OCC)[C@H](C(C)C)[C@]1(CC)C(=O)c1ccccc1 2296781 UPNSWUDTUTYFNY-OXQOHEQNSA-N 360.450 3.664 0 40 FHAB C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccccc1 23042717 CXSUPHXYROTONU-PGRDOPGGSA-N 372.468 3.905 0 40 FHAB COc1ccc(NC(=O)[C@H](C)Nc2nc3ccccc3s2)c(OC)c1 28276427 ZZUJNMVAHTXAFM-NSHDSACASA-N 357.435 3.753 0 40 FHAB CCOC(=O)c1ccc(NC(=O)CSc2ccc(OC)cc2)c(C)c1 20458443 GEYDXDQJOVXJCV-UHFFFAOYSA-N 359.447 3.911 0 40 FHAB Fc1ccc(N2CCN(c3ncnc4c3[nH]c3ccc(F)cc34)CC2)cc1 2311991 XIYOPXIMPDHMJE-UHFFFAOYSA-N 365.387 3.716 0 40 FHAB CC(C)(C)c1noc(CS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)n1 58936561 WKDKGYTYJNMSLY-UHFFFAOYSA-N 363.266 3.789 0 40 FHAB COc1cccc(/C=C/C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 11001779 RTVYBVFBTDAGGF-HHNLSAEISA-N 364.445 3.586 0 40 FHAB Cc1cccc(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)c1 3319044 IBENJQNJTPXEPQ-UHFFFAOYSA-N 351.446 3.633 0 40 FHAB Cc1ccc(C)c(NC(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)c1 12902356 USAKOTURUNBMHQ-UHFFFAOYSA-N 365.477 3.593 0 40 FHAB O=C1c2ccccc2C(=O)N1CCN1CC=C(c2c[nH]c3ccccc23)CC1 12900500 QHRYHJFHAGEZKT-UHFFFAOYSA-N 371.440 3.553 0 40 FHAB O=C1C[C@H](C(=O)OCc2cccc3cccnc23)c2ccc(F)cc2N1 12950346 LESUDHYPYRTZSQ-INIZCTEOSA-N 350.349 3.543 0 40 FHAB Nc1nc2n(n1)[C@@H](c1ccco1)C[C@H](c1ccc(Cl)c(Cl)c1)N2 13127555 MFPXQSHETAFTKO-VXGBXAGGSA-N 350.209 3.906 0 40 FHAB CCc1ccc(CNC(=O)CN(Cc2ccccc2)CC(F)F)s1 72308842 VZPOJBFIRMXDCP-UHFFFAOYSA-N 352.450 3.694 0 40 FHAB Cc1cc(=O)oc2cc(NC(=O)CCCc3nc(C(C)C)no3)ccc12 49574292 PIPDXJIKJSRAPK-UHFFFAOYSA-N 355.394 3.569 0 40 FHAB CCc1ccc2c(COC(=O)C[C@H]3CNc4ccccc43)cc(=O)oc2c1 72312499 ILZAPBNIIDJEIG-HNNXBMFYSA-N 363.413 3.998 0 40 FHAB O=C(CSc1cccc(C(F)(F)F)c1)NC(=O)NC1CCCCC1 5077996 GPOSKECHBCBHBB-UHFFFAOYSA-N 360.401 3.956 0 40 FHAB COc1ccc(Cl)cc1-n1c(S)nnc1-c1ccc2nccnc2c1 13736031 QPSXYKHPOLMKMW-UHFFFAOYSA-N 369.837 3.828 0 40 FHAB COc1ccc(NC(=O)COc2ccc(F)c3c2C(=O)C[C@H]3C)c(OC)c1 14124744 USTHADPBOBBCPZ-LLVKDONJSA-N 373.380 3.550 0 40 FHAB O=C(Nc1cccnc1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 65609472 MFWMNZPKTRHNSK-CQSZACIVSA-N 367.384 3.682 0 40 FHAB CC(=O)Nc1ccc(C)c(S(=O)(=O)NCCc2ccc(C(C)C)cc2)c1 14247167 FGPPPVKIOWNDLN-UHFFFAOYSA-N 374.506 3.598 0 40 FHAB CCCC[C@](C)(O)C/C=C\[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 5514859 CNWGPXZGIIOYDL-QAZIQWEPSA-N 368.514 3.865 0 40 FHAB CCCOc1cc(S(=O)(=O)Nc2cccc(C(=O)O)c2)ccc1Cl 9061839 AKOCMYIBCVBULD-UHFFFAOYSA-N 369.826 3.628 0 40 FHAB CCC[C@@H]1Oc2ccccc2C(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O 6662658 APUYFOSDYSZEOJ-SFHVURJKSA-N 371.820 3.753 0 40 FHAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(SC)ccc1Cl 9576605 VHAHJAUAEZIAHZ-INIZCTEOSA-N 363.866 3.576 0 40 FHAB C[C@@H](NC(=O)CSc1nnc(-c2ccco2)o1)c1ccc(F)cc1F 4828308 WSVHRRCFZQWQFV-SECBINFHSA-N 365.361 3.577 0 40 FHAB O=C(Cc1ccc(F)cc1)Nc1ccc(-c2nnc3n2CCCC3)cc1 66803395 GXSLOBJHDWJMJD-UHFFFAOYSA-N 350.397 3.602 0 40 FHAB COC(=O)c1ccc(CS[C@H](C)C(=O)NCc2ccc(F)cc2)cc1 15490350 KQCKPRYRKYZBSU-CYBMUJFWSA-N 361.438 3.550 0 40 FHAB CCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccccc1Cl 17075009 FMKZYDADSICPCC-UHFFFAOYSA-N 364.902 3.769 0 40 FHAB CNC(=O)c1cc(S(=O)(=O)Nc2c(C)cccc2C(C)C)ccc1C 408598331 ZDIWPCGXXYJRLO-UHFFFAOYSA-N 360.479 3.587 0 40 FHAB Cc1ccc(OCc2nc(CC(=O)NCCc3ccccc3)cs2)cc1 18184328 MDFHYXYOMXOSDL-UHFFFAOYSA-N 366.486 3.932 0 40 FHAB O=C(Nc1ccccc1)N(CCN1CCOCC1)Cc1cccc(Cl)c1 20393116 DLLFXRVMMFVKKO-UHFFFAOYSA-N 373.884 3.706 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCC[C@@H]1c1cccn1C 9722084 ZHXBDYJLRCQEIP-QGZVFWFLSA-N 361.873 3.771 0 40 FHAB COc1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 408652530 DHACEBPMOCIKHG-ZDUSSCGKSA-N 359.809 3.616 0 40 FHAB CC1(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)CCOCC1 95409515 HQNRQQKAICJIRQ-UHFFFAOYSA-N 361.445 3.843 0 40 FHAB O=C(Nc1ccc(C(=O)N(Cc2ccccn2)c2ccncc2)cc1)C1CC1 95456495 LFDPJNMGNAZPDI-UHFFFAOYSA-N 372.428 3.672 0 40 FHAB CC(C)c1cc(C(=O)N(Cc2ccc[nH]2)c2ccc(N(C)C)cc2)n[nH]1 95441879 DAQYATGBQBSLBM-UHFFFAOYSA-N 351.454 3.774 0 40 FHAB O=C(Cc1ccccc1Cl)Nc1cccc(OCC(=O)N2CCCC2)c1 27444841 MUKZZNOJFZFOSX-UHFFFAOYSA-N 372.852 3.522 0 40 FHAB Cc1ccc(N([C@H](C)C(=O)Nc2c(C)cccc2C)S(C)(=O)=O)cc1C 409382224 QFPIJSDEKRENQA-QGZVFWFLSA-N 374.506 3.713 0 40 FHAB FC(F)(F)CCn1cc(Br)c(COCC(F)(F)F)n1 408716615 OWRWMZFZMXJRMJ-UHFFFAOYSA-N 355.076 3.677 0 40 FHAB COCCN1CCCc2ccc(NC(=O)c3cc(Cl)ccc3OC)cc21 35588042 ARGQDZJWGJEKHN-UHFFFAOYSA-N 374.868 4.000 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)COc1ccc(NC(=O)c2ccco2)cc1 39475804 RAADJTYVOGMPCQ-RHSMWYFYSA-N 356.422 3.606 0 40 FHAB CCc1sc(-n2cccc2)nc1C(=O)Nc1ccc2c(c1)OCCCO2 1565524152 BXPCYKYDSXVRPR-UHFFFAOYSA-N 369.446 3.910 0 40 FHAB COc1ccc(NC(=S)Nc2cc(OC)c(OC)c(OC)c2)cc1F 71325883 JMIJZRQJEUGGJC-UHFFFAOYSA-N 366.414 3.669 0 40 FHAB COc1cccc(-c2cncc([C@@H]3CCCN(Cc4ccccn4)C3)n2)c1 72359429 XGVLPUKZZCZATC-GOSISDBHSA-N 360.461 3.927 0 40 FHAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)o1 223447528 JPKOXXFIVWYLJW-ZWKOTPCHSA-N 350.447 3.551 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)Cc2cccc(Br)c2)cc1 14232659 RCFIKDSJKQECBI-UHFFFAOYSA-N 354.269 3.578 0 40 FHAB COc1ccccc1OCc1ncc(C(=O)O)c(Nc2ccccc2)n1 49469714 IRLDYVUSPTXBSN-UHFFFAOYSA-N 351.362 3.506 0 40 FHAB COc1cccc(-c2cnc(NCc3ccc(OC)c(OC)c3)n2C)c1 199421356 SYDSFDZRLWEBKG-UHFFFAOYSA-N 353.422 3.725 0 40 FHAB CC[C@@H](NC(=O)Cc1ccc(OC)c(OC)c1)c1ccc(OC)c(C)c1 224358975 JTSMJEVRVOLAAI-QGZVFWFLSA-N 357.450 3.831 0 40 FHAB S=C(NCC1(c2cccc(Cl)c2)CCOCC1)Nc1cccnc1 224021539 CYTJNNQCVKRZIQ-UHFFFAOYSA-N 361.898 3.770 0 40 FHAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cccc(OC)c2)c(C)c1 44904748 LOVFVBDKSSKERR-IBGZPJMESA-N 371.433 3.976 0 40 FHAB CCOc1cccc(NC(=S)N[C@@H](C)COc2ccccc2OC)c1 225787102 ZOHCKJMGPJDFOH-AWEZNQCLSA-N 360.479 3.848 0 40 FHAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CC 224328555 UJTPDSVFALMCJG-HXUWFJFHSA-N 370.468 3.702 0 40 FHAB c1ccc(-c2cnc3n2C[C@H](CNCc2c[nH]c4ccccc24)OC3)cc1 96296463 AVAVUKDEXHRWKB-SFHVURJKSA-N 358.445 3.720 0 40 FHAB biogenic,in-vitro COc1ccc(Nc2cc(C(=O)N3CCCCC3)nc(C)n2)cc1Cl 96182791 CTVXKLFQBGJWRC-UHFFFAOYSA-N 360.845 3.817 0 40 FHAB FC(F)(F)Oc1cccc(Br)c1I 91305997 VURWAFYVUMCVBR-UHFFFAOYSA-N 366.902 3.952 0 40 FHAB Cc1nccc(CN2CC[C@@H](Cc3cccc(-c4c(C)noc4C)n3)C2)n1 257278587 OCVPMCPJOCUNFN-KRWDZBQOSA-N 363.465 3.516 0 40 FHAB CC(C)(C)C(=O)N1CCC(c2ccnc(-c3cncc(C(=O)O)c3)c2)CC1 257285795 PIXHSVIIILYQOQ-UHFFFAOYSA-N 367.449 3.594 0 40 FHAB O=C(O)c1ccc(CN[C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cc1 666575998 KPLKSQLCLOXQSC-FDFHNCONSA-N 364.489 3.775 0 40 FHAB CCCC1(C(=O)N[C@H](C)C2CCN(c3cc(C)nc(C4CC4)n3)CC2)CC1 1775993017 WSTWORVKUDQHBG-MRXNPFEDSA-N 370.541 3.964 0 40 FHAB O=C(c1ccc(F)cc1Cl)N1CC(c2nc(-c3ccsc3)no2)C1 90567286 CTBDSPCRXGDNMX-UHFFFAOYSA-N 363.801 3.830 0 40 FHAB COC(=O)N1CCc2ccc(NC(=O)c3nc4ccccc4s3)cc2C1 96096258 RKUCAENIQIJWGW-UHFFFAOYSA-N 367.430 3.673 0 40 FHAB O=C(c1cccc(Cl)c1)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1 585104064 FTQQZAWSTKAEKT-MRXNPFEDSA-N 360.866 3.514 0 40 FHAB CC(C)[C@@H](NC(N)=O)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 32842489 CVRYGHOJOBWDNV-MRXNPFEDSA-N 361.829 3.764 0 40 FHAB FC(F)(F)c1cccnc1OC[C@@H]1CCCN(Cc2ccccn2)C1 1775995657 CZHBUKZWQRXZNM-CQSZACIVSA-N 351.372 3.786 0 40 FHAB O=S(=O)(NCc1cccc(Cl)c1)c1ccc(Br)cc1 5756940 BMYJPKLHMUQEOQ-UHFFFAOYSA-N 360.660 3.581 0 40 FHAB CC1=C(C(N)=O)[C@H](c2ccccc2)N=C(SCc2cccc(F)c2)N1 5791503 CBWHCWWUPHJHGH-KRWDZBQOSA-N 355.438 3.519 0 40 FHAB CCn1c(N2CCC(C(=O)NCc3cccs3)CC2)nc2ccccc21 12116373 OICFYJBSIAYYDB-UHFFFAOYSA-N 368.506 3.651 0 40 FHAB O=C(Cc1ccc(Cl)cc1Cl)N1CCC[C@H]1[C@H](O)c1nccs1 12141839 VTIQREIFESDIPE-ZFWWWQNUSA-N 371.289 3.717 0 40 FHAB Cc1ccc2c(c1)C(=O)C[C@@H]([C@H]1CCCN(C(=O)c3ccc(C)o3)C1)O2 13227505 FYHZNSKRIIKNMS-YWZLYKJASA-N 353.418 3.783 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(I)cc1 13646939 KQKILONEUOROLO-LLVKDONJSA-N 363.198 3.883 0 40 FHAB CC1(C)C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 13668171 JANIMYQISSXFHU-OAHLLOKOSA-N 351.855 3.921 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)COc1ccccc1C(C)C 14009790 LVMQFUYPXGYBBW-UHFFFAOYSA-N 354.450 3.967 0 40 FHAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1nnc(-c2ccccc2)s1 18702500 GHHJVNVSYJAQPT-VQHVLOKHSA-N 351.387 3.586 0 40 FHAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)C3CCCC3)CC1)N2 19128536 XCORWYXQPOBQQS-JKSUJKDBSA-N 366.456 3.611 0 40 FHAB O=C(c1cccs1)N1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 19342663 OVRFKFCNVUWSEE-LBPRGKRZSA-N 362.838 3.787 0 40 FHAB CCn1nc(C)c([C@@H](C)NC(=O)c2cc(-c3ccccc3F)no2)c1C 19523763 LFFHMOVIRGORGL-LLVKDONJSA-N 356.401 3.805 0 40 FHAB O=C(Nc1cccc(Cn2cccn2)c1)c1cc(-c2cccc(F)c2)no1 19718154 PTUFYPGKKQTMJG-UHFFFAOYSA-N 362.364 3.978 0 40 FHAB Cc1cc(NC(=S)NC(=O)C(C)(C)C)ccc1-c1ccc(C(=O)O)o1 226351538 FUWTZXWUFWMFIB-UHFFFAOYSA-N 360.435 3.812 0 40 FHAB CN(C)C(=O)COc1ccccc1C(=O)OCc1ccc(C(C)(C)C)cc1 17835515 FNFDUEZDPAFPKF-UHFFFAOYSA-N 369.461 3.808 0 40 FHAB CCN(c1ccccc1)S(=O)(=O)c1cc(Br)ccc1C 7416997 DBKXWWPGPIEYMW-UHFFFAOYSA-N 354.269 3.973 0 40 FHAB O=C(NC[C@](O)(c1ccoc1)c1cccs1)C1(c2ccc(F)cc2)CC1 238861358 KSWHUEZAXCWWCY-FQEVSTJZSA-N 371.433 3.564 0 40 FHAB COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CCN(C(C)C)C2 4223473 UYYQMVUBQCUBFX-UHFFFAOYSA-N 372.490 3.862 0 40 FHAB Cn1cnc2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc21 15108443 KNCFALUXTNQYPK-UHFFFAOYSA-N 350.205 3.898 0 40 FHAB COc1ccc(CC(=O)NCc2cc(-c3cc4ccccc4o3)on2)cc1 22768779 JRCGHPKGNIYQKE-UHFFFAOYSA-N 362.385 3.955 0 40 FHAB Cn1cc(-c2cc(CNC(=O)c3cc4cc(F)ccc4s3)ccn2)cn1 575619570 WJVIGPCGIJYBDG-UHFFFAOYSA-N 366.421 3.766 0 40 FHAB O=C(NC[C@@H]1COc2ccccc21)c1ccc(Oc2nccs2)cc1 585150038 WWCGSVSFOCNITB-CQSZACIVSA-N 352.415 3.841 0 40 FHAB COC(=O)c1ccc(C(=O)N2CCS[C@H](c3cccs3)CC2)cc1 219467758 GEURTIBVGBHIAS-INIZCTEOSA-N 361.488 3.855 0 40 FHAB CC(C)CC(=O)Nc1ccc(OCC(=O)O)c(-c2nc3ccccc3o2)c1 20157726 PVJZBEQPLCZOMU-UHFFFAOYSA-N 368.389 3.943 0 40 FHAB CC[C@H](C)[C@@H](N)C(=O)Oc1ccc2c(=O)c(-c3csc(C)n3)coc2c1 20111166 SQZMXPOAPPQOMP-DYZYQPBXSA-N 372.446 3.504 0 40 FHAB biogenic C[C@@H](OCC(F)(F)F)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 31681872 ULPNCTWRBGYIBM-SSDOTTSWSA-N 366.311 3.994 0 40 FHAB O=C(O)[C@H]1[C@@H]2C=C[C@@H]([C@H]3C[C@H]23)[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl 102093574 NESGGQJUKXNZIS-ZOUNZACVSA-N 352.217 3.701 0 40 FHAB O=C(OCc1csc(Nc2ccccc2)n1)[C@H]1COc2ccccc2O1 32940065 DXRSOILNMHIOGH-QGZVFWFLSA-N 368.414 3.770 0 40 FHAB O=C(c1ccccc1Br)N1CCN(c2ccccc2F)CC1 795825 OJMYNAYLJFKGAL-UHFFFAOYSA-N 363.230 3.551 0 40 FHAB CCOC(=O)[C@@H](CC)Sc1nnc2c3cc(CC)ccc3n(C)c2n1 1366158 FQBKFDIWSIJDOP-CQSZACIVSA-N 358.467 3.513 0 40 FHAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C 3416218 MKEREXSIWJRQNG-UHFFFAOYSA-N 356.426 3.660 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)CCCn1c(=O)oc2ccccc21 3421355 PYBWEBMUEPIZSF-UHFFFAOYSA-N 374.824 3.984 0 40 FHAB C[C@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(N(C)C)cc1 3489505 OITDLFBVKIJQCC-ZDUSSCGKSA-N 358.463 3.643 0 40 FHAB O=C(NCCC1=CCCCC1)c1cccc(I)c1 3565596 RERLJQPKQBKYPN-UHFFFAOYSA-N 355.219 3.912 0 40 FHAB Cc1ccccc1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 4018930 SOPSZIDTQABLCC-LOHFZDIYSA-N 372.424 3.559 0 40 FHAB CC(=O)c1ccc(NC(=O)COc2ccc(C)cc2Br)cc1 4183045 QPCZMLRPLSYYQS-UHFFFAOYSA-N 362.223 3.978 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(-c2ccc(O)cc2)cc1 4220911 GWNXCMRSLSPXQR-QRWLVFNGSA-N 367.445 3.911 0 40 FHAB CCCc1ccc(C(=O)C[C@]2(O)C(=O)N(C)c3ccc(Cl)cc32)cc1 4556205 OCIYABGEXSGMCZ-HXUWFJFHSA-N 357.837 3.730 0 40 FHAB c1ccc2c(c1)NCCCCCNc1ccccc1OCCNCCO2 4869753 HSAPYHZDEQQWDK-UHFFFAOYSA-N 355.482 3.742 0 40 FHAB O=C(COc1ccc2ccccc2c1)Nc1ccc(N2CCCC2=O)cc1 5439722 YSQVKHBKIJSSPN-UHFFFAOYSA-N 360.413 3.984 0 40 FHAB c1ccc(Nc2nc(Nc3ccccc3)nc(Sc3ncn[nH]3)n2)cc1 5757237 ZUUFEJPEPNGYDA-UHFFFAOYSA-N 362.422 3.628 0 40 FHAB CCC(=O)Nc1ccc(C(=O)COc2ccc(C(C)=O)cc2OC)cc1 5938591 HHPSXKGLCCGWPF-UHFFFAOYSA-N 355.390 3.508 0 40 FHAB CCCCn1nc(C(=O)Nc2ccc(F)cc2F)c2ccccc2c1=O 6430009 YPHYHVZRJQGDGI-UHFFFAOYSA-N 357.360 3.727 0 40 FHAB Cc1ccc(NC(=O)COc2cccc(N3CCCC3=O)c2)cc1Cl 7063735 SLFBXPWCUJTZOE-UHFFFAOYSA-N 358.825 3.793 0 40 FHAB Cc1nnc(S[C@H](C(=O)N2CCCCC2)c2ccccc2)n1C1CC1 7618033 YIGODMLUTQQLHC-KRWDZBQOSA-N 356.495 3.767 0 40 FHAB CCCOc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1 7668827 PSDPEKQMUKHHLA-UHFFFAOYSA-N 351.406 3.798 0 40 FHAB O=C(CCCC(=O)OCC(=O)Nc1cccc(Cl)c1)Nc1ccccc1 8412804 KENPLURJINQVMS-UHFFFAOYSA-N 374.824 3.631 0 40 FHAB COC(=O)c1cc(-c2ccc(F)cc2)nc2c1c(C)nn2-c1ccccn1 8429682 TZPCZXXZSCAJIT-UHFFFAOYSA-N 362.364 3.717 0 40 FHAB CCn1c(S[C@@H](C)C(=O)N(C)c2ccccc2)nnc1-c1ccco1 8620279 MPCCAGHRTKLEGR-ZDUSSCGKSA-N 356.451 3.702 0 40 FHAB COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2cccc(Cl)c2)o1 8690792 CMYAZMXYVDLQHR-HNNXBMFYSA-N 362.838 3.566 0 40 FHAB CCN(CC)C(=O)c1cccc(NC(=O)c2cc3ccccc3oc2=O)c1 9049053 DQEJBWVRZZPVGU-UHFFFAOYSA-N 364.401 3.527 0 40 FHAB C[C@@H]1CCc2ccccc2N1C(=O)CSc1nnc(NC2CC2)s1 9513977 UQXKDDRPQCBMEY-LLVKDONJSA-N 360.508 3.572 0 40 FHAB COc1ccc(-c2nnc(SCc3nc(N)c4ccccc4n3)o2)cc1 9548278 GUDDOUDOSXPYAL-UHFFFAOYSA-N 365.418 3.563 0 40 FHAB CC(=O)Nc1ccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc1 10899207 IUHTVZJWLIDMBT-UHFFFAOYSA-N 365.477 3.908 0 40 FHAB Cc1ccc(N[C@@H]2SC(=O)N(CCNc3cccc(C)c3)C2=O)cc1 12113018 SKMYZJJJAVAUCV-QGZVFWFLSA-N 355.463 3.849 0 40 FHAB O=C(NC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1nc(-c2ccc(C(F)(F)F)cc2)no1 12322862 GZIOJCIAUDZBNW-WXHSDQCUSA-N 363.339 3.697 0 40 FHAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1ccc(Cl)cc1 12510772 BUDDAEKOVXXYAG-UHFFFAOYSA-N 357.885 3.581 0 40 FHAB Cc1noc([C@H](C)Sc2nc(N)c3c4c(sc3n2)C[C@H](C)CC4)n1 12539438 VQMHXXYGCVXUOI-SFYZADRCSA-N 361.496 3.943 0 40 FHAB COC(=O)c1cccc(NC(=O)Cc2csc(-c3ccsc3)n2)c1 12791597 YDXBMXFBHBYHSX-UHFFFAOYSA-N 358.444 3.839 0 40 FHAB COc1ccc2oc(C(=O)NC[C@H](c3ccccc3)N(C)C)c(C)c2c1 12860836 UCWOOPQBWMKXGH-GOSISDBHSA-N 352.434 3.783 0 40 FHAB Cc1cccc2cc(CN(Cc3ccco3)C(=O)c3cccnc3)c(=O)[nH]c12 13541185 LGQGOIBHKPRGDX-UHFFFAOYSA-N 373.412 3.667 0 40 FHAB O=C(CSCc1ccc(Cl)cc1)NCCCN1CCCCCC1 13673406 KHGLQJISKUYJFX-UHFFFAOYSA-N 354.947 3.956 0 40 FHAB O=C(CSc1nc(-c2ccco2)nc2ccccc12)N1CCCCC1 14134515 GLGKSDPJCQGRHY-UHFFFAOYSA-N 353.447 3.994 0 40 FHAB CCN(CC)[C@@H](CNC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccccc1 14185755 WCCJVCXXRKNSIM-SFHVURJKSA-N 355.482 3.647 0 40 FHAB NC(=O)[C@H](NC(=O)/C=C/c1ccc(-c2ccccc2)s1)c1ccccc1 14199660 HVHDAMOJAFPJPO-CMQXMCPJSA-N 362.454 3.771 0 40 FHAB COc1ccccc1[C@@H]1CC(O)=Nc2c1c(C)nn2-c1ccc(Cl)nn1 15083574 IXTWDEBHYAFART-LBPRGKRZSA-N 369.812 3.756 0 40 FHAB C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)nc1 16225788 YBWMSJFJYYAADB-QAETUUGQSA-N 357.498 3.888 0 40 FHAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N(C)Cc1cccc(Cl)c1Cl 16376432 HHSJJDLIELIRFO-GFCCVEGCSA-N 369.296 3.803 0 40 FHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCC(C)CC1 19932303 UMNZVWBRVIPMBS-GOSISDBHSA-N 352.906 3.736 0 40 FHAB CCn1c(=O)n(CCC(=O)N(C)[C@H](C)c2ccc(F)cc2)c2ccccc21 21975269 KEEYWQKNHOBEGX-OAHLLOKOSA-N 369.440 3.572 0 40 FHAB COc1ccccc1[C@@H](CNC(=O)CSc1ccccc1C)N(C)C 22678887 HMYSMSSDFKTZAS-QGZVFWFLSA-N 358.507 3.515 0 40 FHAB O=C(COc1ccc(Cl)cc1Cl)NCc1cc(-c2ccco2)on1 22768543 DGTAXGGERRLZBR-UHFFFAOYSA-N 367.188 3.937 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCCN1C(=O)c1cccs1 24540498 BFEFVONFFUSUCH-AEFFLSMTSA-N 370.518 3.880 0 40 FHAB COc1ccccc1OCCNC(=O)c1cc(-c2ccccc2Cl)[nH]n1 25101716 ZEJHPWUXXNBLFK-UHFFFAOYSA-N 371.824 3.548 0 40 FHAB CCCOc1ccccc1C(=O)NC[C@@H](c1ccccc1OC)N(C)C 27794988 FPHNJZMEPKKSCR-SFHVURJKSA-N 356.466 3.517 0 40 FHAB biogenic C[C@H](NC(=O)NCCc1ccccc1F)c1ccc(NC(=O)C2CC2)cc1 32794878 VURCUVVGYIKUJL-AWEZNQCLSA-N 369.440 3.777 0 40 FHAB Cc1ccc(C(=O)C2CCN(C(=O)c3cccnc3S)CC2)c(C)c1 32830563 PVMNIDMEKYGMOJ-UHFFFAOYSA-N 354.475 3.722 0 40 FHAB C[C@H](Sc1ncn(-c2ccccc2)n1)C(=O)NCCC1=CCCCC1 32876430 ZPPURVAEGMBDKI-HNNXBMFYSA-N 356.495 3.755 0 40 FHAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)[C@@H]1CCCO1 32900595 NHLBMBOJGKPFJO-BEFAXECRSA-N 352.434 3.637 0 40 FHAB COc1ccc(O)c(C(=O)O[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)c1 32947128 LPVDVIXYYBPAHH-PXRHCINRSA-N 358.434 3.732 0 40 FHAB C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCN(c2ccc(F)cc2)CC1 35848177 NNIKWDPJCSQAMG-OAHLLOKOSA-N 351.425 3.700 0 40 FHAB O=C(NCCc1ccc2c(c1)OCO2)c1cc(F)c(Cl)cc1Cl 39981781 MRTJDUQKEXKXHO-UHFFFAOYSA-N 356.180 3.834 0 40 FHAB O=C1CC[C@@]2(C(=O)N[C@H]3CCCc4ccccc43)Sc3ccccc3N12 40017155 YTGBLPVLJNRMEV-KKSFZXQISA-N 364.470 3.809 0 40 FHAB CCN(Cc1nccn1Cc1ccccc1)C[C@@H]1COc2ccccc2O1 40071604 HZSGIUKJEQIVGA-LJQANCHMSA-N 363.461 3.593 0 40 FHAB C[C@H](C(=O)NCc1ccccc1)S(=O)(=O)Cc1ccc(C(C)(C)C)cc1 40106043 WCLLNTNEERHBAK-MRXNPFEDSA-N 373.518 3.604 0 40 FHAB CC(C)(C)C(=O)NCC(=O)N(Cc1cccs1)Cc1cccs1 41998802 IFAWDMXDYGLATC-UHFFFAOYSA-N 350.509 3.501 0 40 FHAB O=C(c1cccc(Br)c1)c1cccc(CN2CCOCC2)c1 43210995 AGDGPKVVWQUHPI-UHFFFAOYSA-N 360.251 3.512 0 40 FHAB Fc1ccccc1-c1cn2c(COc3ccc4c(c3)OCO4)nnc2s1 45221599 IHXZOMUTOCUEKM-UHFFFAOYSA-N 369.377 3.905 0 40 FHAB C[C@H]1CCCN(CCCCNC(=O)c2cc(F)ccc2Br)C1 46991742 LWBOFXLJYAOVBD-ZDUSSCGKSA-N 371.294 3.830 0 40 FHAB O=C(c1ccsc1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 48355403 YNPIJQUKIBAPGH-UHFFFAOYSA-N 369.273 3.653 0 40 FHAB O=C(Nc1ccc(F)cc1F)N(Cc1ccncc1)Cc1cccnc1 51283285 QJHCOHKNJJACPV-UHFFFAOYSA-N 354.360 3.989 0 40 FHAB COc1ccc(CCCNC(=O)N[C@H](C)c2cccc(NC(C)=O)c2)cc1 56489096 DHXGHODFFZJBFY-OAHLLOKOSA-N 369.465 3.647 0 40 FHAB CC(=O)c1cn(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc1C 58414602 NRXOKTQSZJFQFT-UHFFFAOYSA-N 359.735 3.705 0 40 FHAB CCCCCOc1ccc(/C=C/C(=O)N[C@@H](C(=O)O)C(C)C)cc1OC 62714462 KSNXOVCWISZSJQ-SINXNMPMSA-N 363.454 3.503 0 40 FHAB C[C@@H](NC(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1)C(=O)O 62715557 UXXKQPVIZMCAIB-RUNBWSAHSA-N 359.809 3.522 0 40 FHAB CCN1c2ccc(C(=O)NC3CCCC3)cc2-c2ccccc2S1(=O)=O 64762046 WKUDVOWTZWHQDY-UHFFFAOYSA-N 370.474 3.555 0 40 FHAB Cc1c(C(=O)Nc2ccc(Oc3ncccn3)cc2)[nH]c2c1C(=O)CCC2 65492808 RSOMFUPTCJZVGW-UHFFFAOYSA-N 362.389 3.677 0 40 FHAB Cc1cc(C)cc(NC(=O)c2sccc2NC(=O)c2cnccn2)c1 67335921 VZHLGLXXGRFHMS-UHFFFAOYSA-N 352.419 3.660 0 40 FHAB CC(C)Cn1cc(C(=O)N2CCc3ccccc3C2)c2ccccc2c1=O 72325609 JHCYUCQNXJHWHF-UHFFFAOYSA-N 360.457 3.856 0 40 FHAB biogenic CC(C)[C@@H](C)CC(=O)N1CCC[C@H]2CN(C(=O)C[C@@H](C)C(C)C)C[C@H]21 75092606 HBZLEBRTGZKYTD-YDZRNGNQSA-N 350.547 3.800 0 40 FHAB CCc1ccsc1C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C 89289598 JYERSFCPIWOFEH-OLZOCXBDSA-N 352.500 3.686 0 40 FHAB Clc1ccccc1O[C@@H]1CCN(Cc2ncn(-c3ccccc3)n2)C1 92807264 BAYUSZIHSXEXFB-MRXNPFEDSA-N 354.841 3.574 0 40 FHAB Cc1noc(C)c1CC(=O)O[C@@H](C(=O)NC1CCCCCCC1)C(C)C 95349049 CUJMYDCBIFYIIU-LJQANCHMSA-N 364.486 3.631 0 40 FHAB COc1ccc(-n2ccc(C(=O)Nc3ccnn3-c3ccccc3C)n2)cc1 95959122 AFASEIWDZDMGCT-UHFFFAOYSA-N 373.416 3.627 0 40 FHAB COc1cc(/C=C/c2ccc3cc(C(=O)O)ccc3n2)cc(OC)c1O 95972658 FDYWBIILSXGDHV-ZZXKWVIFSA-N 351.358 3.826 0 40 FHAB Cc1ccsc1CN1CCn2c(COc3cccnc3)cnc2[C@@H]1C 96109830 DYGUQHVECDBUDH-HNNXBMFYSA-N 354.479 3.804 0 40 FHAB C[C@@](Br)([C@@H](O)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O 96521210 OHCJDNOIADKDHL-HOTGVXAUSA-N 369.280 3.543 0 40 FHAB COc1ccc(C(=O)Sc2nnc(COc3ccccc3)o2)c(OC)c1 98087256 IYMUGWIZLAHURE-UHFFFAOYSA-N 372.402 3.598 0 40 FHAB Cc1cc([C@H](C)NC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)c(C)s1 152211021 AFGUYADSSLVAEB-HOCLYGCPSA-N 373.526 3.526 0 40 FHAB COCCOc1cc(C(=O)Nc2cccc(-c3csc(C)n3)c2)ccn1 182481704 NRTFGQVYVDIWSQ-UHFFFAOYSA-N 369.446 3.791 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 222998793 AHHGLADMVHQNIU-NRFANRHFSA-N 366.505 3.708 0 40 FHAB COc1ccc(-c2ncc(C(=O)N3CCc4ccccc4C3)c(C)n2)cc1 223145346 CHWIIFYKGYDXIS-UHFFFAOYSA-N 359.429 3.659 0 40 FHAB COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1OC 223429430 LEHWAKCAJRQNID-OAHLLOKOSA-N 363.479 3.669 0 40 FHAB Cc1ccccc1OCCNC(=O)c1ccc(CN2CCCCC2)cc1 224095790 UEVDRFZRKIEMHW-UHFFFAOYSA-N 352.478 3.790 0 40 FHAB CCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCC[C@@H](C)C2)n1 225882812 RHPWRKWQMZUQHZ-CQSZACIVSA-N 371.510 3.812 0 40 FHAB C[C@H](O)[C@@]1(O)C[C@@H]2[C@@H]3CC[C@]4(C)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1 253617622 ZOTNOPONJVMHKM-KAOFDQOZSA-N 350.543 3.892 0 40 FHAB Cc1nccc(N2CCC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)n1 257237575 HHCNYQVFVRNPCG-MRXNPFEDSA-N 352.413 3.887 0 40 FHAB c1cc(CN2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)ccn1 306128557 HEDYEVIKQHVCJC-HXUWFJFHSA-N 370.460 3.566 0 40 FHAB COc1ccc(OC)c(-c2ccc(OC(=O)c3cccc(C)c3)nn2)c1 408532837 PIXBYRZUVWSBEJ-UHFFFAOYSA-N 350.374 3.688 0 40 FHAB COc1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 408650740 BKZLXXPLKYHQRM-CYBMUJFWSA-N 359.809 3.616 0 40 FHAB Cc1ccc(-c2nnc(CN(C)C(=O)COc3ccc(C)c(C)c3)o2)cc1 408714941 YXKFBGUAEREKCN-UHFFFAOYSA-N 365.433 3.699 0 40 FHAB Cc1ccccc1[C@H]1CN(CCOc2cccc(C(=O)O)c2)[C@H](C)CO1 517381487 KXVCJIBBGJOWPY-OXQOHEQNSA-N 355.434 3.534 0 40 FHAB COC(=O)c1nc(NC(=O)[C@@H](C)n2cccc2)sc1Cc1ccccc1 524735564 KNAUYSJZFQEGRY-CYBMUJFWSA-N 369.446 3.522 0 40 FHAB COc1ccc2c(c1)CCN2C(=O)c1ccc(-c2noc(C(F)F)n2)cc1 539462362 PBKVSJVQYVHSSW-UHFFFAOYSA-N 371.343 3.886 0 40 FHAB COCC[C@H]1CN(C(=O)Cc2csc3ccccc23)Cc2cccn2C1 585095042 AZAWTZMYYWCPRX-MRXNPFEDSA-N 368.502 3.940 0 40 FHAB COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1cc(-c2ccc(C)o2)[nH]n1 1138093066 HEONFFGVBPTAOK-OAHLLOKOSA-N 365.433 3.837 0 40 FHAB CSc1ncccc1C(=O)NC[C@H](O)c1ccc(-c2cccs2)cc1 1775976547 BGXZZYHSJFKPGS-INIZCTEOSA-N 370.499 3.995 0 40 FHAB Cc1nc(N2CCC(COc3ncccc3C)CC2)cc(C(F)(F)F)n1 1775995719 GAEJRFAQMKEFEI-UHFFFAOYSA-N 366.387 3.803 0 40 FHAB Cc1cc(Nc2nccs2)nc([C@@H]2CCN(C(=O)c3ccccc3)C2)n1 2037836045 NHQXEYOIFUAKLK-OAHLLOKOSA-N 365.462 3.615 0 40 FHAB CCc1nccn1CC1CN(c2nc(C)nc3sc4c(c23)CCCC4)C1 2087147925 GIBMWSXXKJFYNT-UHFFFAOYSA-N 367.522 3.774 0 40 FHAB O=C([C@@H]1CCCN(c2ccc3ccccc3n2)C1)N1CCC(F)(F)CC1 2298212739 VJIYTPXCMTZQSF-MRXNPFEDSA-N 359.420 3.709 0 40 FHAB CC(C)(C)N(Cc1ccccc1)C(=O)COc1ccc(-c2nnco2)cc1 2660242 FMSJOGRQRMDHDG-UHFFFAOYSA-N 365.433 3.943 0 40 FHAB CCCc1nc2ccccc2n1C[C@H](O)COc1ccccc1C(C)=O 810215 RRHHCMSOCQTKLJ-INIZCTEOSA-N 352.434 3.631 0 40 FHAB O=C(Nc1cc(Cl)ccc1O)[C@H]1CC(c2c(F)cccc2Cl)=NO1 814835 LZHZADXYDXVUAV-CQSZACIVSA-N 369.179 3.970 0 40 FHAB O=C(CCCOc1ccc(F)cc1)N(CC(F)(F)F)[C@@H]1CCCOC1 79069973 AUQQWSXPNOCRNS-CQSZACIVSA-N 363.351 3.555 0 40 FHAB Cc1sc2ncn(CC(=O)Nc3ccccc3C(C)C)c(=O)c2c1C 791161 MHCGKBZWLJFNEK-UHFFFAOYSA-N 355.463 3.837 0 40 FHAB O=C(CSCc1ccccc1)N1N=C2CCCC[C@@H]2[C@]1(O)C(F)(F)F 4742448 QHSLZTTVFRCVMZ-BBRMVZONSA-N 372.412 3.559 0 40 FHAB Cc1ccc2nc(COc3ccccc3C(=O)NCc3ccco3)cn2c1 47046527 CHBZIPWBSIEIMZ-UHFFFAOYSA-N 361.401 3.745 0 40 FHAB Cc1ccccc1O[C@@H]1C(=O)N(C2CCCC2)[C@@H]1c1ccc2c(c1)OCO2 816232 AYSPZLVPHOCMQI-RTWAWAEBSA-N 365.429 3.997 0 40 FHAB CCOC(=O)Nc1cccc(C(=O)Nc2ccccc2N2CCCC2=O)c1 8326168 BFGRUHOXIHJDOV-UHFFFAOYSA-N 367.405 3.634 0 40 FHAB CC(C)[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1 8855902 BNWUDCYQCUCVFF-CQSZACIVSA-N 373.522 3.764 0 40 FHAB CCOc1ccc(N2C(=O)C[C@@H](Nc3c(C)cc(C)cc3C)C2=O)cc1 101276264 CEAYLXHGXWMVCI-GOSISDBHSA-N 352.434 3.755 0 40 FHAB CC(=O)c1cccc(NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)c1 24648529 YQUQJVPDBAWNFW-UHFFFAOYSA-N 374.322 3.741 0 40 FHAB COc1ccc(OC)c(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 9063570 HRFNUQSBGPAMIB-UHFFFAOYSA-N 372.440 3.694 0 40 FHAB Cc1cc2c(cc1C)C(=O)C[C@H](c1cc(C(=O)O)cc3c1OCOC3)O2 1504466 HJDXVADNJHAYEA-GOSISDBHSA-N 354.358 3.575 0 40 FHAB biogenic O=C(COc1cccc(Cl)c1)N[C@@H](Cc1ncc[nH]1)c1ccccc1 12541408 REJKTEHCUZHVIZ-KRWDZBQOSA-N 355.825 3.542 0 40 FHAB O=C(C[C@H]1Oc2ccccc2NC1=O)OCc1ccc(C(F)(F)F)cc1 25798061 FMGQHHBOGWKNPN-OAHLLOKOSA-N 365.307 3.538 0 40 FHAB O=C(CN1CCC[C@H]1c1cccs1)N1CCc2[nH]c3ccccc3c2C1 26484893 UBGDJLFPFDASIJ-IBGZPJMESA-N 365.502 3.951 0 40 FHAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cccc(C(=O)O)c1 8714928 NKVIBJFJFOZNLD-UHFFFAOYSA-N 369.826 3.546 0 40 FHAB Cc1oc(-c2ccccc2)nc1C(=O)NC[C@@H](c1ccco1)N1CCCC1 27333716 JHJFEISLCMSCGK-KRWDZBQOSA-N 365.433 3.810 0 40 FHAB COc1ccc(-c2c(C)oc3cc(OC(=O)N(C)C)ccc3c2=O)cc1 2097157 XLNIRBOUSMNUSH-UHFFFAOYSA-N 353.374 3.837 0 40 FHAB biogenic Cc1ccccc1NCCC(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 58370268 IKGJBSKCGLLFEF-OAHLLOKOSA-N 351.450 3.559 0 40 FHAB O=C(/C=C/c1cccc(Br)c1)Nc1ccccc1-n1cncn1 28024284 QKGQMDCCSJWDLR-CMDGGOBGSA-N 369.222 3.682 0 40 FHAB O=C(CCn1cncn1)Nc1nc2ccc(Oc3ccccc3)cc2s1 10817215 VZTJXDXXCXEMQH-UHFFFAOYSA-N 365.418 3.709 0 40 FHAB COCCn1cc(NC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)cn1 59266484 NUKJIBPVFXDAGI-CQSZACIVSA-N 361.511 3.994 0 40 FHAB COc1ccc(CNC(=O)COC(=O)C2CCC(C(C)(C)C)CC2)cc1 38145477 ZYBDUBVVAXIYCD-UHFFFAOYSA-N 361.482 3.707 0 40 FHAB C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccc(F)c(F)c1 12935426 PHTHDPDIRHMRSE-VIFPVBQESA-N 350.390 3.866 0 40 FHAB CC(C)N1CCC(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)CC1 12906532 JQKXSETVLHMFNR-UHFFFAOYSA-N 368.452 3.659 0 40 FHAB COc1cc(C(=O)N(C)Cc2nc3ccccc3s2)cc(OC)c1C 13022516 MEEZFXDTADTYMU-UHFFFAOYSA-N 356.447 3.894 0 40 FHAB CCc1c(C(=O)NCCCCc2nccs2)cnn1-c1ccccc1 71185372 AOHNIRGVOBDXEE-UHFFFAOYSA-N 354.479 3.644 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccnc2)N1Cc1ccco1 4295369 XGFYBBOJZHFEPF-GOSISDBHSA-N 358.353 3.526 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)c1 4330208 LWVATSMZQDLFFA-UHFFFAOYSA-N 359.769 3.660 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2cc3ccccc3o2)c1 4332075 YJXOLFFTIBITCP-CYBMUJFWSA-N 351.358 3.819 0 40 FHAB Cc1cc(OCC(=O)N[C@H](c2ccccc2)c2nccn2C)ccc1Cl 9156606 KDAQSOSTZRUSAN-LJQANCHMSA-N 369.852 3.667 0 40 FHAB Cc1ccc([C@H](CC(=O)NCCCN(C)C)[C@@H]2CCOC(C)(C)C2)cc1 5348411 KFXGNULOTVUHLH-UXHICEINSA-N 360.542 3.742 0 40 FHAB Cc1cccc(NC(=O)[C@@H](C)Sc2nnnn2-c2ccc(C)cc2C)c1 5414731 QCRLIPNRMKWHII-OAHLLOKOSA-N 367.478 3.707 0 40 FHAB Cc1nnc(SCC(=O)N2c3ccccc3S[C@H]3C=CC=C[C@H]32)s1 408541399 APJUWSZLYKEQDD-OCCSQVGLSA-N 373.528 3.941 0 40 FHAB CN(C)c1cc(C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)ccn1 83854197 MFGIPOUURQZMCA-UHFFFAOYSA-N 374.416 3.725 0 40 FHAB CN(C(=O)Nc1ccccc1N1CCOCC1)[C@H]1CCc2ccccc21 83855768 BTJKEQXAWCFAQH-IBGZPJMESA-N 351.450 3.674 0 40 FHAB O=c1c(Cl)c(N2CCc3ccccc3C2)cnn1Cc1ccc(F)cc1 6662430 UILHBZYZRVISLM-UHFFFAOYSA-N 369.827 3.647 0 40 FHAB Cc1sc(NC(=O)[C@H](C)Oc2ccccc2Cl)c(C(N)=O)c1C 4943295 WWCQDXAULKGWPD-VIFPVBQESA-N 352.843 3.523 0 40 FHAB O=C(O)c1ccc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)cc1 7057555 HTSQBDLUGABSAB-UHFFFAOYSA-N 367.426 3.776 0 40 FHAB CCOc1ccccc1N1C[C@H](C(=O)Nc2c(C)cccc2C)CC1=O 15992430 LMFFEMJSINDDNK-MRXNPFEDSA-N 352.434 3.694 0 40 FHAB CC(=O)Nc1ccc(/C=C2\CCn3c2nc2sc(C)c(C)c2c3=O)cc1 7699722 SSHVAPIYUXKKIY-XNTDXEJSSA-N 365.458 3.978 0 40 FHAB O=C(NC1CCCCCC1)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 9483830 YIBYRNBGJAIBGT-KRWDZBQOSA-N 367.493 3.859 0 40 FHAB Cc1cc(NC(=O)[C@@H](Sc2nnc(C)n2C2CC2)c2ccccc2)no1 9455667 WRSGSHQRUHILSI-INIZCTEOSA-N 369.450 3.690 0 40 FHAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(-c2ccccc2)[nH]c1=O 71793172 QBJOLNWEKPWSOB-UHFFFAOYSA-N 370.311 3.616 0 40 FHAB CCn1ncc(Cn2c(=S)[nH]c3sc4c(c3c2=O)CCCCC4)c1C 17076691 BJOKBZJBIAEVOP-UHFFFAOYSA-N 374.535 3.963 0 40 FHAB CCOc1ccc(CN(C)C(=O)c2cncn2-c2ccc(F)cc2)cc1 18074100 QFEQFNCQXVHBEX-UHFFFAOYSA-N 353.397 3.682 0 40 FHAB CCCCCC(=O)Nc1ccc(N2CCOCC2)c(Br)c1 20611544 XLNPCJOLWSVGCF-UHFFFAOYSA-N 355.276 3.805 0 40 FHAB Cc1ccc(-c2[nH]ncc2C(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1 72328649 XTUHHVKQBJABCX-UHFFFAOYSA-N 374.488 3.964 0 40 FHAB O=S(=O)(Nc1ccc(F)cc1C(F)(F)F)c1cc(F)cc(F)c1 75109951 BLBMZMSYHOUZGB-UHFFFAOYSA-N 355.259 3.924 0 40 FHAB CC[C@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1cc2c(s1)CCSC2 89948282 ZOKVXILGGWLEMD-OCCSQVGLSA-N 367.536 3.874 0 40 FHAB CCOc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C 22250807 GZWMCUJKFFHIDM-UHFFFAOYSA-N 352.478 3.973 0 40 FHAB CCOc1ccc(S(=O)(=O)N(C)Cc2ccc(OC)cc2)cc1Cl 408595918 WCNVDSWMONWATR-UHFFFAOYSA-N 369.870 3.568 0 40 FHAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc4c(c3)OCO4)S2)cc1 408776529 OZLWCFAPDNLQOW-DDYRAIOVSA-N 354.431 3.577 0 40 FHAB CC(C)(C)OC(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2F)nc1 1523582805 OKCQZMKVMRLYTM-UHFFFAOYSA-N 364.804 3.759 0 40 FHAB c1cncc(CN2C[C@]3(CCN(Cc4ccsc4)C3)c3ncccc32)c1 306133535 MOLDHKRJXODENH-OAQYLSRUSA-N 362.502 3.702 0 40 FHAB CCc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 409197309 BAUWEJYCXZKSRA-UHFFFAOYSA-N 374.506 3.507 0 40 FHAB Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)Cc1ccccc1 32610630 XUVMTJJVKDWWPZ-UHFFFAOYSA-N 371.387 3.996 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1 219527285 SDNLDUQWPWRSQN-IRXDYDNUSA-N 357.450 3.663 0 40 FHAB Cc1nccn1-c1cccc(C2CCN(C(=O)c3ccc(F)cc3)CC2)n1 72378859 JJIITRVRYZSWRY-UHFFFAOYSA-N 364.424 3.735 0 40 FHAB Cc1cc(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c2cnn(C(C)C)c2n1 120922591 IOBKOIVIGVYELW-LSTHTHJFSA-N 360.461 3.779 0 40 FHAB C[C@@]1(CNC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)CCOC1 559801310 FEKJYJXQIDZZIJ-SFHVURJKSA-N 352.862 3.603 0 40 FHAB CC(C)n1cc(CCC(=O)Nc2nc(C(F)(F)F)n[nH]2)c2ccccc21 79493193 FOVKNPDPVFAWLY-UHFFFAOYSA-N 365.359 3.930 0 40 FHAB CC(=O)Nc1ccc(CN2C[C@@H]3[C@@H](CC[C@]3(O)c3ccc(F)cc3)C2)cc1 36739994 BEHBBQOBFMKGLB-WTOYTKOKSA-N 368.452 3.514 0 40 FHAB COc1ccccc1-c1cccc([C@@H]2CCCN(Cc3cnn(C)c3)C2)n1 72349957 RAPOQJPYAXNCIZ-GOSISDBHSA-N 362.477 3.870 0 40 FHAB CCSc1ccccc1NC(=O)c1ccc(CN2CCOCC2)cc1 44938691 BVEWIVWDISKXTQ-UHFFFAOYSA-N 356.491 3.883 0 40 FHAB CC(C)c1ccccc1OCCNC(=O)/C=C/c1ccc2c(c1)OCO2 223745058 LYMLQOBBTVLZBP-CSKARUKUSA-N 353.418 3.747 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222711479 UCLLWTQQSXNODY-GUYCJALGSA-N 359.397 3.632 0 40 FHAB COc1ccc(-c2ccc(=O)n([C@@H]3CCc4ccccc4N=C3O)n2)cc1 40266372 CJGOKCZWLAPJOA-LJQANCHMSA-N 361.401 3.694 0 40 FHAB CC(C)OCc1cccc(CNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1 48373971 LPLXGTRNXGQSOW-LJQANCHMSA-N 359.853 3.885 0 40 FHAB O=C(Cc1cn2ccsc2n1)NCc1ccc2[nH]c3c(c2c1)CCCC3 82160316 FYYZAAJNVXSAGQ-UHFFFAOYSA-N 364.474 3.615 0 40 FHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ncccc1OC 225689065 KUEBCTSASAQRIM-CQSZACIVSA-N 373.478 3.688 0 40 FHAB CCN(CC)CCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1 225634888 DBRNPDSYMXHYAD-DYESRHJHSA-N 362.514 3.941 0 40 FHAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1cccnc1 222777748 SRAYDZHPWKHRMT-RTBURBONSA-N 363.490 3.568 0 40 FHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 222769539 SCFUPUIWWYCFLK-STQMWFEESA-N 368.325 3.898 0 40 FHAB COc1cccc(-c2noc(CN(C)C(=O)c3ccc(C)c(C)c3)n2)c1 224692118 LKVIUADXPXFQCO-UHFFFAOYSA-N 351.406 3.634 0 40 FHAB Cc1cccc(N[C@@H]2CO[C@@]3(CCCN(C(=O)c4ccsc4)C3)C2)c1 96222770 ZICQXSSDAPEFJP-ICSRJNTNSA-N 356.491 3.932 0 40 FHAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1c(F)cccc1Cl 95476613 BUPISVIWCCANNA-ZDUSSCGKSA-N 355.822 3.974 0 40 FHAB Cc1n[nH]cc1C1CCN([C@@H](C)C(=O)Nc2nc3ccccc3s2)CC1 585081366 NLSRMTMFZQOUKH-ZDUSSCGKSA-N 369.494 3.534 0 40 FHAB Cc1ccc(CN2CCC3(CC2)CN(C(=O)Cc2ccc(Cl)cc2)C3)o1 96203011 RYENHRYGAWATEF-UHFFFAOYSA-N 372.896 3.909 0 40 FHAB O=C(c1cc(-c2ccco2)n[nH]1)N1CCC2(CCc3ccccc3O2)CC1 85557746 FMHFTVRFQLCXPY-UHFFFAOYSA-N 363.417 3.670 0 40 FHAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1ccccc1Br 24817253 SDNNVXSRJGFUNM-AWEZNQCLSA-N 359.267 3.705 0 40 FHAB CCc1csc(CC2CCN([C@H](C(=O)O)c3ccccc3F)CC2)n1 656191482 XDNXACGPHJQFMM-SFHVURJKSA-N 362.470 3.925 0 40 FHAB O=C(/C=C/c1ccco1)NC(=S)Nc1ccccc1Br 863619 MOBYBVGSMWQLBM-BQYQJAHWSA-N 351.225 3.569 0 40 FHAB Cc1ccccc1CN1CCC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 1615128427 JQUIVFVYFNJTJI-JOCHJYFZSA-N 368.452 3.532 0 40 FHAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(C(C)(C)C)cc2)C1=O 1006038 FKGJZCHRMKEDTA-XNTDXEJSSA-N 361.463 3.972 0 40 FHAB COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2 5302810 FOMIOYKPZSUCBC-UHFFFAOYSA-N 369.417 3.806 0 40 FHAB O=C(Nc1cccc(Cl)c1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 14000325 DSXULPOCFBAOQM-HNNXBMFYSA-N 373.840 3.893 0 40 FHAB COCCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1 14833591 DBUWMWCRSJOLML-FMIVXFBMSA-N 372.852 3.758 0 40 FHAB O=C(OCc1nc2ccccc2n1C(F)F)c1cc(Br)c[nH]1 14902973 PBORWGORCRQTLU-UHFFFAOYSA-N 370.153 3.879 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@]12CCC(=O)N1c1ccccc1S2 17578567 QELKNSKLZXBYLO-SFHVURJKSA-N 374.849 3.916 0 40 FHAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)C3CCCC3)C1)N2 19127560 OTFRQDFJPSPSBA-OWCLPIDISA-N 366.456 3.611 0 40 FHAB CCCC(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2F)(C(N)=O)C1 19501060 BDBMZDFNCZFZIJ-QFIPXVFZSA-N 368.452 3.539 0 40 FHAB C[C@H](NC(=O)C1CCCCC1)c1nc2cc(-c3ccccc3F)ncn2n1 19574489 RKMQJCZPINLIBJ-ZDUSSCGKSA-N 367.428 3.688 0 40 FHAB CCOc1cc(F)ccc1NC(=O)CC1CCN(Cc2ccccn2)CC1 19748294 HZKVAOHOCGOJGX-UHFFFAOYSA-N 371.456 3.860 0 40 FHAB C[C@H](Sc1nnc(-c2cccs2)n1C)C(=O)N(C)Cc1ccccc1 9494255 BILWLOPXPZBQEZ-ZDUSSCGKSA-N 372.519 3.683 0 40 FHAB CC(C)NC(=O)CC1(C(=O)Nc2ccc(OC(F)F)cc2)CCCC1 9530694 HNLQTZGZXNVJNL-UHFFFAOYSA-N 354.397 3.702 0 40 FHAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 6077288 LEWZSVQPPHVOES-UHFFFAOYSA-N 374.245 3.971 0 40 FHAB C[C@H](OC(=O)c1cc2c(s1)CCCC2)C(=O)Nc1cccnc1Cl 7256769 MIYISZPURHIHFQ-JTQLQIEISA-N 364.854 3.859 0 40 FHAB O=C(CCc1ccccc1O)NCc1ccc(COCC(F)(F)F)cc1 21522181 KUMYPMVTKHPNSW-UHFFFAOYSA-N 367.367 3.720 0 40 FHAB Cc1ccc(CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 7216929 ITKZHDBBSDOVIH-UHFFFAOYSA-N 354.269 3.578 0 40 FHAB Cc1sc2ncnc(NC[C@@H]3CN(Cc4ccccc4)CCO3)c2c1C 23381246 LUANCSAMHDSAOY-QGZVFWFLSA-N 368.506 3.621 0 40 FHAB CCOc1ccccc1C(=O)N1CCN=C1SCc1cccc(F)c1 4119859 GGTLKSBTQHBOSV-UHFFFAOYSA-N 358.438 3.970 0 40 FHAB Cc1c(Cl)cccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1N 4316550 MWZLKZVMAAUIFU-UHFFFAOYSA-N 352.785 3.528 0 40 FHAB Cc1ccc(N2C[C@H](NC(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 4360008 ASMFRUQIINBYDH-CQSZACIVSA-N 357.841 3.884 0 40 FHAB Cc1ccccc1Nc1nc([C@]2(C)C[C@@]3(C[C@H](C)OC3=O)C(=O)O2)cs1 9242434 ZCVUCXZVBWBEDO-YXKWSERDSA-N 372.446 3.679 0 40 FHAB biogenic COc1cccc(NC2(C(=O)N(C)C)CCN(CC3CCCCC3)CC2)c1 2055750577 GVVFBMDAFCMQSA-UHFFFAOYSA-N 373.541 3.610 0 40 FHAB Cc1ccc(N2N=N[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]32)cc1C 101260331 OFGUCQMPCWBOCQ-DLBZAZTESA-N 368.824 3.763 0 40 FHAB Cc1nnc(SCc2cccnc2)c2c1cnn2-c1ccc(F)cc1 35596835 BZVAMLOKQVKYNC-UHFFFAOYSA-N 351.410 3.950 0 40 FHAB O=C1c2ccccc2C(=O)N1Cc1nc(-c2ccc(F)c(F)c2)cs1 30448425 OHXRQZBNXJCNLS-UHFFFAOYSA-N 356.353 3.885 0 40 FHAB Cc1c(C(=O)N(C)Cc2nnc3n2CCCCC3)oc2c(Cl)cccc12 32786744 SAGVTWRCPATKDU-UHFFFAOYSA-N 372.856 3.985 0 40 FHAB O=C(NCc1nc2ccccc2s1)c1cncn1-c1ccc(F)cc1 32719577 LCNUDOFEKRAYRQ-UHFFFAOYSA-N 352.394 3.551 0 40 FHAB CCCn1c(=O)n(CCC(=O)NCCC2=CCCCC2)c2ccccc21 32836081 ZTXBDUMTYWINNY-UHFFFAOYSA-N 355.482 3.610 0 40 FHAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NC1CCCC1 779295 QAWGSOKYOJRDAR-UHFFFAOYSA-N 368.462 3.678 0 40 FHAB O=C(Nc1cccnc1)c1cc(I)ccc1Cl 855719 UTWCGWYZJSBITH-UHFFFAOYSA-N 358.566 3.592 0 40 FHAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1C 906839 OKBSGKWRTZXLDS-CQSZACIVSA-N 352.463 3.910 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(C)n1C[C@@H]1CCCO1 915444 MYRNNOHZFUUWTL-ZBFHGGJFSA-N 374.510 3.502 0 40 FHAB Nc1ccc(Cc2ccc(N)c(Br)c2)cc1Br 1577072 QHNJDSRKOHTZMY-UHFFFAOYSA-N 356.061 3.967 0 40 FHAB C[C@@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)C(=O)O 2197168 DCXGFVOUQZLNMA-SNVBAGLBSA-N 372.471 3.501 0 40 FHAB COc1cc(NC(=O)c2noc3c2CCCCC3)c(OC)cc1Cl 2465833 HGLUPSCGUCPBOJ-UHFFFAOYSA-N 350.802 3.866 0 40 FHAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CN[C@H](C)CC 2635078 OJTKPZPGHSNOJW-CYBMUJFWSA-N 360.479 3.918 0 40 FHAB O=C(CSc1nnc(-c2cccs2)o1)NCc1ccccc1Cl 2665093 OZLKBSKGDUTJMH-UHFFFAOYSA-N 365.867 3.860 0 40 FHAB COc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCCO3)cc1 4003985 FGEZSQLBDMKKQL-UHFFFAOYSA-N 374.400 3.920 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 4385186 YWTQOYAIYPRXSX-CQSZACIVSA-N 372.852 3.957 0 40 FHAB COc1cccc2cc(C(=O)NC(C)=O)/c(=N/c3ccc(Cl)cc3)oc12 4575601 RWAUHXOOFFVFKF-QOCHGBHMSA-N 370.792 3.604 0 40 FHAB Nc1c(C(=O)NCc2ccccc2)sc2nc(-c3cccnc3)ccc12 4746769 ZDRQSATWHXHLIP-UHFFFAOYSA-N 360.442 3.871 0 40 FHAB CCOc1cc(Cl)c(S(=O)(=O)Nc2ncccc2C)cc1Cl 4913624 RAOPSNKBSVJSRU-UHFFFAOYSA-N 361.250 3.896 0 40 FHAB CC(=O)N1CCCc2ccc(NC(=O)COc3ccc(Cl)cc3)cc21 5154229 RECJJOVTTWSJCR-UHFFFAOYSA-N 358.825 3.657 0 40 FHAB O=C(CCNC(=O)c1ccc(Cl)cc1)N[C@@H]1CCCc2ccccc21 5442782 WDLPDTHFFBNPGK-GOSISDBHSA-N 356.853 3.654 0 40 FHAB COc1cc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)ccc1OC(C)C 5703096 PMNTVUJWVXGHMR-YBEGLDIGSA-N 355.365 3.966 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)NCc3ccc(F)cc3)o2)cc1C 5778715 KNOUVWVAHSVSTN-UHFFFAOYSA-N 371.437 3.901 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1c(C)cc(C)cc1C 6362031 YADOPKNMSNWBAL-INIZCTEOSA-N 374.506 3.941 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)c1 6811359 CNCVORBDRYAIRV-UHFFFAOYSA-N 353.374 3.679 0 40 FHAB COc1cc(SC)ccc1C(=O)Nc1cccc(N2CCCC2=O)c1 6987608 OTOCYTAKJDRUNY-UHFFFAOYSA-N 356.447 3.796 0 40 FHAB CCc1ccc(N[C@H]2CC(=O)N(c3ccccc3Br)C2=O)cc1 7214013 WQMVVOQEHHNHOT-HNNXBMFYSA-N 373.250 3.756 0 40 FHAB CSc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 7266929 WGFZEBCCQNOPOO-ZDUSSCGKSA-N 358.463 3.596 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3ccco3)n2C)c1C 7765972 YFKUBMJYECMZBQ-LBPRGKRZSA-N 372.450 3.586 0 40 FHAB CN(Cc1cc(=O)n2ccsc2n1)Cc1cccc(Cl)c1Cl 7914825 NFXHPUUDBHNLMY-UHFFFAOYSA-N 354.262 3.695 0 40 FHAB C[C@H](Nc1ncnc2sc3c(c12)CCCC3)[C@H](O)c1ccc(O)cc1 7982118 IUBNEIJNKCVNQT-GTNSWQLSSA-N 355.463 3.810 0 40 FHAB CCc1ccccc1NC(=O)CNC(=O)CCC(=O)c1cc(C)sc1C 8074211 WJJJRTWTYNUWPS-UHFFFAOYSA-N 372.490 3.645 0 40 FHAB Cc1ccc(-n2c(C)nnc2SCC(=O)N[C@H](C)c2cccs2)cc1 8090343 FVTGLDMNWPWHFW-CYBMUJFWSA-N 372.519 3.915 0 40 FHAB CC[C@@H](C)C(=O)Nc1ccc(-c2n[nH]c(Nc3nc(C)cc(C)n3)n2)cc1 8560186 SQFUPNDDXGXWHY-LLVKDONJSA-N 365.441 3.607 0 40 FHAB CC(C)(C)C(=O)CSc1nc2ccccc2c(=O)n1Nc1ccccc1 9112485 SCPHUAMKLJCDQL-UHFFFAOYSA-N 367.474 3.979 0 40 FHAB CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccc(OC)c1 9282021 RHRZSNSFOWRIEV-UHFFFAOYSA-N 364.445 3.979 0 40 FHAB CC(C)c1cc(NC(=O)CSc2nccn2-c2cccc(F)c2)on1 9364770 JKWNWCKBHGMIHW-UHFFFAOYSA-N 360.414 3.854 0 40 FHAB Cc1[nH]c(S[C@@H](C)C(=O)NCc2ccco2)nc1Cc1ccccc1 9946653 HIMDZBULYWFBRX-AWEZNQCLSA-N 355.463 3.699 0 40 FHAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)Cc2cccc(Cl)c2)c1 10112348 RNRTUOBZKFKHMA-UHFFFAOYSA-N 367.854 3.767 0 40 FHAB Cc1ccc(NC(=O)C[C@@H](NC(N)=O)c2ccccc2)cc1C(F)(F)F 10584965 OVROILYBBHPQFT-OAHLLOKOSA-N 365.355 3.752 0 40 FHAB CCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccccc2F)cc1 12062999 ASGWRPIZDVDHIW-GFCCVEGCSA-N 371.368 3.680 0 40 FHAB O=C(N[C@@H](c1nccs1)[C@H]1CCCN(Cc2ccc(F)cc2)C1)C1CC1 12365827 BESPTAZEFHQBGC-FUHWJXTLSA-N 373.497 3.762 0 40 FHAB CC(C)OC(=O)C[C@@H](NC(=O)Nc1cccnc1)c1ccccc1Cl 12608761 QWEOFVGZKXSHEY-MRXNPFEDSA-N 361.829 3.940 0 40 FHAB O=C(CSc1nc2ccccc2[nH]1)Nc1ncc(Cl)cc1Cl 12653070 PCNOMPBNVVALCV-UHFFFAOYSA-N 353.234 3.996 0 40 FHAB Cn1cccc1[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 12772450 PYQWECNBXAMEEK-HNNXBMFYSA-N 359.278 3.858 0 40 FHAB CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1Cl 12805030 WBXCGUROOLXIBS-GOSISDBHSA-N 374.868 3.907 0 40 FHAB Cc1ccc(NC(=O)CCNC(=O)c2cccs2)c(Br)c1 12980682 YYZZGMVLIKZJES-UHFFFAOYSA-N 367.268 3.578 0 40 FHAB O=C(NCc1ccccc1)C1CCN(CCCOc2ccc(F)cc2)CC1 12980989 YIJFAWYCOLWICU-UHFFFAOYSA-N 370.468 3.623 0 40 FHAB CCCc1ccc(-c2csc(NC(=O)Cn3c(C)csc3=O)n2)cc1 12982916 DWFWISNCUATXAH-UHFFFAOYSA-N 373.503 3.933 0 40 FHAB Cc1nn(S(=O)(=O)c2ccc(C(C)C)cc2)c(C)c1Br 14218430 WYUSUYLHOKIUDB-UHFFFAOYSA-N 357.273 3.623 0 40 FHAB C[C@H](Sc1nnc(NCCc2cccs2)s1)C(=O)NC(C)(C)C 14703997 HUXYKLFSSDUUDU-JTQLQIEISA-N 370.569 3.650 0 40 FHAB O=C(CN1C(=O)COc2ccccc21)Oc1ccccc1Cc1ccccc1 15657533 IGPQNXSDDBXTON-UHFFFAOYSA-N 373.408 3.608 0 40 FHAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)CC(C)(C)C)cc21 17286433 MATMBFXZJYCBOM-UHFFFAOYSA-N 352.500 3.554 0 40 FHAB Fc1ccc(CN2CCO[C@H](c3nc(-c4ccccc4)no3)C2)cc1F 19374357 IOHPFUWZZQAEMH-KRWDZBQOSA-N 357.360 3.588 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)CN(C)Cc1ccc(Br)s1 19542381 LDDDIHKKJIMYQT-WCQYABFASA-N 359.333 3.637 0 40 FHAB CC(C)OCCCNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 20100621 HSOGXNBHCRPKFS-UHFFFAOYSA-N 370.896 3.622 0 40 FHAB CC[C@H]1CCCCN1CCCNC(=O)[C@@H](CC)Oc1cccc(OC)c1 20110148 IFJFHGQVMURPJP-FXAWDEMLSA-N 362.514 3.623 0 40 FHAB O=C(Nc1ccccc1F)[C@@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 20729982 BYJNGRZXJLDIGQ-INIZCTEOSA-N 350.353 3.861 0 40 FHAB Cc1nn(-c2ncccn2)c2c1[C@H](c1ccccc1F)SCC(O)=N2 20731887 IHRFOWSOUQXGTL-HNNXBMFYSA-N 355.398 3.534 0 40 FHAB CCN1CCCc2cc(CCNC(=O)CCc3ccc(OC)cc3)ccc21 22732584 IQUUJDQQRQWUSS-UHFFFAOYSA-N 366.505 3.759 0 40 FHAB CCCC(=O)Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 22927333 AEOXAGTVVLHGRG-UHFFFAOYSA-N 352.843 3.879 0 40 FHAB C[C@@H]1C[C@@H](C)CN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 28199764 ZWHPDCMVYSWGIE-VXGBXAGGSA-N 364.898 3.789 0 40 FHAB c1csc(CN2CCCN(Cc3nc(-c4ccsc4)no3)CC2)c1 30973329 XECJXTNPONTRCL-UHFFFAOYSA-N 360.508 3.568 0 40 FHAB c1ccc([C@@]2(N3CCOCC3)C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)cc1 31960028 GACFZQUGMQKXMO-GVAUOCQISA-N 369.488 3.640 0 40 FHAB CCc1ccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccccc2)cc1 32169838 YKRQVCHQKPSNHG-SFHVURJKSA-N 362.351 3.859 0 40 FHAB CC(=O)Nc1cccc(Nc2nnc(S[C@@H]3CCCCC3=O)s2)c1 32778991 MJGXKXRIYDGQEE-CQSZACIVSA-N 362.480 3.844 0 40 FHAB NC(=O)c1cc(Sc2ccc3c(c2)OCCCO3)nc2ccccc12 32829044 XWMSMTRKODLATH-UHFFFAOYSA-N 352.415 3.646 0 40 FHAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)C1 36437593 HCWUQWCOTAZFJR-INMHGKMJSA-N 362.901 3.697 0 40 FHAB C[C@@H](C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 39953890 FYIWZDMXOCBTJE-ZDUSSCGKSA-N 351.402 3.873 0 40 FHAB CCN(CC(=O)Nc1cccc(-n2cc[nH]c2=S)c1)c1ccccc1 40156194 CZAKZQQJZSNKCZ-UHFFFAOYSA-N 352.463 4.000 0 40 FHAB O=C(Nc1ccc2ccccc2n1)[C@H]1CCCN1C(=O)C1CCCCC1 42393991 JEVVNPWAKICJBI-GOSISDBHSA-N 351.450 3.745 0 40 FHAB Cc1nc(COc2ccc(C(=O)N3CCC[C@H]4CCCC[C@H]43)cc2)no1 48333549 YZPLICQMKMMISO-CRAIPNDOSA-N 355.438 3.752 0 40 FHAB COCCOc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)cn1 57507134 UJPHFNUGLDBTAB-UHFFFAOYSA-N 355.438 3.518 0 40 FHAB CCOc1ccccc1N1CCN(Cc2cc(C(C)=O)ccc2OC)CC1 57562980 YROWICFNBWKKGQ-UHFFFAOYSA-N 368.477 3.619 0 40 FHAB Cc1cccc(-c2nnc(SCCc3nc4ccccc4c(=O)[nH]3)o2)c1 58168725 ZHLMKHNVAKHCQY-UHFFFAOYSA-N 364.430 3.616 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2nc(-c3ccccc3)c[nH]2)c1C 58201878 UCAOTTXPRURXPY-ZDUSSCGKSA-N 350.422 3.715 0 40 FHAB O=C1COc2ccc(Br)cc2CN1c1cc(F)ccc1F 65184565 ZKISKRQCYFQCGC-UHFFFAOYSA-N 354.150 3.653 0 40 FHAB Cc1nnc([C@@H](C)OC(=O)c2cccc(NC(=O)C3CCCCC3)c2)o1 68509140 BHCLOJHGMMYUND-GFCCVEGCSA-N 357.410 3.815 0 40 FHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)C[C@H]1CCCO1 72013221 USLDAJZZRBIAEH-LLVKDONJSA-N 352.793 3.694 0 40 FHAB O=C(CCn1ncc2ccc(Cl)cc21)Nc1cc(-c2ccncc2)n[nH]1 72256055 XRSLFSLRHDKYMP-UHFFFAOYSA-N 366.812 3.504 0 40 FHAB COc1ccc(CN2CCC[C@@H]2c2ccnc(Nc3ccccn3)n2)cc1 72377430 IMFZNFMWLZHUAH-LJQANCHMSA-N 361.449 3.961 0 40 FHAB COCC[C@]1(C(=O)Nc2cccc(C)c2)CCN(C(=O)OC(C)(C)C)C1 75105926 CHEWQKAVGFMWIW-HXUWFJFHSA-N 362.470 3.597 0 40 FHAB O=C(Oc1ccccc1C(F)(F)F)[C@@H]1CCCN(c2nccs2)C1 76774244 GOZYKIJEUZEFCC-LLVKDONJSA-N 356.369 3.984 0 40 FHAB C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1c1nn2c(=O)ccnc2s1 79096245 BKBDORVYWVUDFO-MRVPVSSYSA-N 367.261 3.582 0 40 FHAB O=C(/C=C/c1ccccc1)N1CC(Oc2nc3c(F)cccc3s2)C1 85471127 VRFPDSBGUPHDHZ-MDZDMXLPSA-N 354.406 3.738 0 40 FHAB O=C(Cn1nc(-c2cccs2)n(C2CC2)c1=O)c1ccc(Cl)cc1 90591217 AHDCJFLNVKQQKS-UHFFFAOYSA-N 359.838 3.645 0 40 FHAB O=C(/C=C/c1ccccc1)N1CCC(Oc2cnc3ccccc3n2)CC1 90678351 SFHXFGUDFANOON-ZHACJKMWSA-N 359.429 3.713 0 40 FHAB Cc1nc(CCNC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)cs1 95348535 JKCVXQZBWWNYBC-UHFFFAOYSA-N 354.397 3.861 0 40 FHAB CO[C@](C)(CNC(=O)c1ccccc1Br)c1ccccc1F 96123505 NBWUVFVFNKWACD-QGZVFWFLSA-N 366.230 3.880 0 40 FHAB O=C(NC1CCC2(CCC(=O)N2Cc2ccccc2)CC1)C1CC=CC1 96228616 IIPNOJJHJCKUFG-UHFFFAOYSA-N 352.478 3.573 0 40 FHAB CC(C)CC(=O)NC[C@H]1CC[C@H](c2c(C(N)=O)sc3ncccc32)CC1 100688343 YMJMWPWJKNGCTN-OKILXGFUSA-N 373.522 3.831 0 40 FHAB CC(C)Cc1noc(COC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)n1 103223081 JYCCOZPDMCIQSL-LGBHXNNWSA-N 352.862 3.889 0 40 FHAB O=C(O)c1ccc(Oc2ccccc2)c(NS(=O)(=O)c2ccccc2)c1 110689547 SFKLDKRTAMDFTR-UHFFFAOYSA-N 369.398 3.978 0 40 FHAB O=S(=O)(Nc1nnc(SCc2ccccc2)s1)c1ccccc1 121213209 QDLHHLUMDQDZDV-UHFFFAOYSA-N 363.489 3.631 0 40 FHAB COC(=O)c1cc2ccc(Br)cc2n1C(=O)OC(C)(C)C 148184167 DICQTQLIDQCAQW-UHFFFAOYSA-N 354.200 3.974 0 40 FHAB O=S(=O)(NCc1ccnc(-c2ccco2)c1)c1ccc2c(c1)CCCC2 225658592 LMBKJSBMJWPMKW-UHFFFAOYSA-N 368.458 3.699 0 40 FHAB C[C@H](NC(=S)Nc1nc(Cl)cc(N2CCCC2)n1)c1ccccc1 225963842 BYSXQCGFUCGHCG-LBPRGKRZSA-N 361.902 3.778 0 40 FHAB COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C4CCCCC4)OCC[C@@]31C2 257199678 AALHQQOOUQXDJZ-FPIWTNIKSA-N 363.542 3.929 0 40 FHAB Cc1cccc(Nc2cc([C@H]3CCCCN3Cc3c[nH]cn3)nc(C)n2)n1 257345026 ZZQAVPVCTYNHDQ-GOSISDBHSA-N 363.469 3.682 0 40 FHAB Cc1nc(C)n([C@H](C)CC(=O)N[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)n1 257367426 PUBWDZHSCNWRTH-HRLOXLBDSA-N 366.509 3.935 0 40 FHAB CN(C(=O)c1nc2cccnc2s1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 278692981 PIVJFNIYPNVARD-ZBFHGGJFSA-N 371.437 3.823 0 40 FHAB Cc1cccc(CN2C[C@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2ccccc2)c1 306126958 FJZVLXOGDOPUTC-PKTZIBPZSA-N 371.484 3.878 0 40 FHAB Cc1cc(OC2CCN(C(=O)/C=C/c3ccccc3Cl)CC2)nc(C)n1 390827598 ZOOPUCMNYRHTOX-BQYQJAHWSA-N 371.868 3.830 0 40 FHAB CN(C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)C1CCOCC1 509429987 KEKGPKXCHRNFBW-UHFFFAOYSA-N 356.388 3.901 0 40 FHAB COc1cccc(C(=O)c2c(NC(=O)CSC)sc3c2CCC3)c1 511487239 KZWCOKMHXIAKDS-UHFFFAOYSA-N 361.488 3.778 0 40 FHAB COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1C(=O)NCc1nc(C(C)C)cs1 583619963 XUXBZHLCXORADN-FOIQADDNSA-N 372.490 3.632 0 40 FHAB COCC[C@H]1CN(C(=O)c2oc3ccccc3c2C)Cc2cccn2C1 585095250 JELYFWAUPSYUTC-MRXNPFEDSA-N 352.434 3.851 0 40 FHAB O=C(NCc1ccccc1N1CCOCC1)c1cscc1C(F)(F)F 606445933 GKRTZZIZHBXJMA-UHFFFAOYSA-N 370.396 3.534 0 40 FHAB CCN1CCN(C(=O)C[C@@H](C)c2ccccc2C(F)(F)F)C(C)(C)C1=O 622525487 CLAKFOITSQKHDN-CYBMUJFWSA-N 370.415 3.668 0 40 FHAB O=C(Nc1ccc(C2CCC2)cn1)N[C@H](C[C@H]1CCCO1)C(F)(F)F 654104714 UHJDRKPONGRNRB-ZIAGYGMSSA-N 357.376 3.971 0 40 FHAB CCC(CC)CN1CCC(Nc2cccc(OC)c2)(C(=O)NC2CC2)CC1 2055750528 ADPWSLQKUNQXHU-UHFFFAOYSA-N 373.541 3.657 0 40 FHAB CSc1ccc2nc(N3CCN(Cc4ccncc4F)CC3)sc2c1 2087023458 ZWKPHEJIWNIITL-UHFFFAOYSA-N 374.510 3.875 0 40 FHAB COC(=O)c1cccc(Nc2cc(C)nc3ccc(C(=O)OC)cc23)c1 949572 LMOAVOICIPMCNU-UHFFFAOYSA-N 350.374 3.860 0 40 FHAB O=C(Nc1nnc(SCCOc2ccccc2)s1)c1ccccc1 2413542 LWQGTDULOBAVIZ-UHFFFAOYSA-N 357.460 3.962 0 40 FHAB Cc1ccc2c(c1)[nH]c1c(N3CCN(c4ccccc4F)CC3)ncnc12 2425848 PWUTUHQGCOYQPJ-UHFFFAOYSA-N 361.424 3.885 0 40 FHAB CC(C)(C)OC[C@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 2539869 CPEHAICNNOERSX-HNNXBMFYSA-N 369.461 3.701 0 40 FHAB O=C(CCS(=O)(=O)c1ccc2ccccc2c1)NC1CCCCCC1 2809252 RHKWOLPWIHJTRQ-UHFFFAOYSA-N 359.491 3.843 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)COc1cccc(Br)c1 3356580 MGVGOLNOVJYSCE-GFCCVEGCSA-N 364.239 3.714 0 40 FHAB CCOc1ccccc1NC(=O)COC(=O)c1nc(Cl)ccc1Cl 3367471 OMPZIOICJWTMNM-UHFFFAOYSA-N 369.204 3.583 0 40 FHAB CCNC(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1 3506351 NVLWNSDVHAXITR-UHFFFAOYSA-N 364.540 3.664 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)c(N)c1 3886633 VSXZZSBWKCIUOJ-UHFFFAOYSA-N 354.859 3.745 0 40 FHAB COc1ccc(OC)c(-c2cc3ccc(OC(=O)N(C)C)cc3oc2=O)c1 4085579 PZXMMVKFUJEXAP-UHFFFAOYSA-N 369.373 3.538 0 40 FHAB biogenic COc1ccccc1NC(=O)CSc1nc(-c2ccccc2)ns1 4167246 HKCCRXBXENXSBO-UHFFFAOYSA-N 357.460 3.945 0 40 FHAB O=C(Nc1cccc(Cl)c1Cl)N[C@H]1CC(=O)N(c2ccccc2)C1 4359905 NRQDWYWGWKELDI-NSHDSACASA-N 364.232 3.920 0 40 FHAB O=C1C[C@@H](c2cccc(C(F)(F)F)c2)c2c(c3ccccc3[nH]c2=O)O1 4387108 ZCABUBNIKIYZLH-ZDUSSCGKSA-N 359.303 3.988 0 40 FHAB COc1ccc(Br)cc1/C=C1/NC(=O)N(c2ccccc2)C1=O 4699073 ROLBEKAJTCQLOM-GXDHUFHOSA-N 373.206 3.555 0 40 FHAB CCc1ccc(NC(=O)CN2CCC(C(=O)c3ccccc3)CC2)cc1 4966647 PRJDTVMGGINLQI-UHFFFAOYSA-N 350.462 3.782 0 40 FHAB COc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCC2)cc1 5893356 BFKNECLXUAZNKN-MRXNPFEDSA-N 359.451 3.724 0 40 FHAB C[C@@H](Sc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(C(N)=O)cc1 6404806 QATXYOFLNZVWGA-SNVBAGLBSA-N 368.380 3.924 0 40 FHAB CSc1ncccc1C(=O)Nc1ccnn1Cc1ccccc1Cl 6589607 HBOCXGRYQJRSCB-UHFFFAOYSA-N 358.854 3.954 0 40 FHAB Cc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2C)cc1Cl 6613919 XQAIXENFZMXALX-UHFFFAOYSA-N 362.838 3.782 0 40 FHAB C[C@H](OC(=O)[C@@H](C)Oc1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12 7232901 YGBBDVUCJHJWHD-QWHCGFSZSA-N 355.365 3.889 0 40 FHAB COc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1 7545408 BJXXDXQBMDEKOM-WFASDCNBSA-N 374.820 3.714 0 40 FHAB Cc1cc(C)cc(OC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c1 7814572 JKOULDAFPQUGJJ-UHFFFAOYSA-N 352.839 3.726 0 40 FHAB CCC(CC)NC(=O)Cn1c(NCc2ccccc2)nc2ccccc21 7989846 WJEZYQRZTSJFMT-UHFFFAOYSA-N 350.466 3.953 0 40 FHAB Cc1cccc(C)c1OCC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 8160326 RPSCLLMQDZXBBU-IBGZPJMESA-N 355.434 3.879 0 40 FHAB COC(=O)[C@@H](C)Sc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 8428593 CTVFKWGJUOUTPT-GFCCVEGCSA-N 374.487 3.718 0 40 FHAB Cc1ccc(C)c(OCc2cccc(-c3nc4c5cn[nH]c5ncn4n3)c2)c1 8549794 MHMQGEUXYOAYGA-UHFFFAOYSA-N 370.416 3.863 0 40 FHAB COc1ccc(C(C)=O)cc1CC(=O)NCc1ccc(C(F)(F)F)cc1 8708633 VDPQHXFZPVAWGD-UHFFFAOYSA-N 365.351 3.776 0 40 FHAB O=S(=O)(NC[C@@H](c1ccsc1)N1CCCCCC1)c1ccccc1 8901269 XMGKBSRRLJXKFP-SFHVURJKSA-N 364.536 3.644 0 40 FHAB CN(CC(=O)Nc1ccc2c(c1)CCC2)Cc1ccccc1N1CCCC1 9117730 IBIWTJAJENRUBD-UHFFFAOYSA-N 363.505 3.846 0 40 FHAB Cn1ccnc1[C@H](NC(=O)Cc1ccccc1Cl)c1ccccc1F 9156775 NZXDWSHHYZLYCX-GOSISDBHSA-N 357.816 3.661 0 40 FHAB CCn1nc(NC(=O)COc2ccccc2)c2cc3cc(C)ccc3nc21 9329015 ITJLFAABNWHHOL-UHFFFAOYSA-N 360.417 3.930 0 40 FHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)NCc1ccc(Cl)cc1 9388779 GWKTWMDRDMBMFR-UHFFFAOYSA-N 354.841 3.867 0 40 FHAB Cc1cccn2c(=O)cc(CSc3ncnc4c3oc3ccccc34)nc12 9575351 ITSNMARKSSAJHQ-UHFFFAOYSA-N 374.425 3.985 0 40 FHAB CCc1cc2c(SCc3cc(=O)n4cc(C)ccc4n3)ncnc2s1 9884974 JXTSOTMDNCIYEO-UHFFFAOYSA-N 368.487 3.862 0 40 FHAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2csc3c2CCCC3)c1 9905917 HDJOSXAZQBDBRC-UHFFFAOYSA-N 369.490 3.578 0 40 FHAB CCC[C@H](NC(=O)[C@H](C)OC(=O)c1ccc(C)c(O)c1)c1ccccc1 10981186 IFNDZMZNWONJEI-YJBOKZPZSA-N 355.434 3.904 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2[C@@H](C)Nc3ncnn3[C@H]2c2ccccc2)c(C)c1 11694767 JMRCVXZLNOMVQX-LZQZEXGQSA-N 361.449 3.553 0 40 FHAB O=C(Cc1csc(-c2ccccc2F)n1)NCc1ccc2c(c1)OCO2 11865433 WSXNCENROXQEAR-UHFFFAOYSA-N 370.405 3.537 0 40 FHAB Cc1cc(OCC(=O)N[C@@H](Cc2ncc[nH]2)c2ccccc2)ccc1Cl 12538757 MRKFLVRFULXRHU-SFHVURJKSA-N 369.852 3.851 0 40 FHAB COC(=O)/C=C/c1ccc(OCc2nc(-c3ccsc3)no2)c(OC)c1 12860129 KZWVYTJESBPHPG-GQCTYLIASA-N 372.402 3.572 0 40 FHAB C[C@H]1C(=O)N(Cc2ncc(-c3ccc(F)cc3)o2)C(=O)N1c1ccccc1 12934769 QJDAMXHNSLHLKI-ZDUSSCGKSA-N 365.364 3.838 0 40 FHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1 12937206 YMBICSJGWYIEQF-UHFFFAOYSA-N 363.820 3.649 0 40 FHAB COc1ccc(OC)c(NC(=O)CN2CCC[C@H]2c2ccc(F)cc2)c1 13010843 SKWKFTWYZNRFBT-SFHVURJKSA-N 358.413 3.619 0 40 FHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)NC(C)C 14013613 LVNKXCZDRHALFK-LJQANCHMSA-N 354.450 3.929 0 40 FHAB O=C(Cn1c(=O)oc2ccccc21)N[C@H](c1ccccc1)c1cccs1 14075089 UDUFVXSLPDWEKU-LJQANCHMSA-N 364.426 3.562 0 40 FHAB COc1ccc(Nc2nc(N(C)C)nc3c2cnn3-c2ccccc2)cc1 16915074 RGSLFRWTINTEKS-UHFFFAOYSA-N 360.421 3.634 0 40 FHAB COc1ccccc1N1CCN(C(=O)N[C@@H](C)CCc2ccccc2)CC1 17116025 KGCJGZPERKAFSP-SFHVURJKSA-N 367.493 3.548 0 40 FHAB COc1ccc(CCNC(=O)c2cc(F)ccc2Br)cc1 19199147 OCNXKSVVANSGET-UHFFFAOYSA-N 352.203 3.569 0 40 FHAB O=C(Cn1ccccc1=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 19296362 DTEUESTXUDSTPY-UHFFFAOYSA-N 364.245 3.525 0 40 FHAB CCn1c(C)nc2cc(NC(=O)CC3CCN(C(=O)C(C)C)CC3)ccc21 19748171 DMUGREJPJDGQCX-UHFFFAOYSA-N 370.497 3.588 0 40 FHAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(CC(=O)O)cc2)cc1 20151662 GOWMZRYFRWXUKZ-UHFFFAOYSA-N 370.474 3.738 0 40 FHAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CC(=O)Nc2ccccc21 20456681 BCAIQIBSGQOCTL-HXUWFJFHSA-N 360.413 3.983 0 40 FHAB CCCc1nnc2sc(-c3cccc(NC(=O)c4ccco4)c3)nn12 20609664 KEAJCUKTLZNQHY-UHFFFAOYSA-N 353.407 3.651 0 40 FHAB O=C1C[C@@H](c2ccc(F)cc2)Cc2nc3nc(-c4ccccc4)nn3cc21 20671450 KFTZAIYVCDZHRJ-HNNXBMFYSA-N 358.376 3.843 0 40 FHAB O=C(Nc1nnc(Cc2ccccc2)s1)c1cnn(-c2ccccc2)c1 21565187 UEHCOAOFTRZCAK-UHFFFAOYSA-N 361.430 3.567 0 40 FHAB Cc1cccnc1-n1c(C)c(C)c2c1ncn1nc(-c3ccccc3O)nc21 21801595 HIGSFUIINDFLLD-UHFFFAOYSA-N 370.416 3.761 0 40 FHAB CCN(Cc1cccc(F)c1)CN1C(=O)NC2(CCCCCCC2)C1=O 23641472 NPMFAXSBIJMBOE-UHFFFAOYSA-N 361.461 3.640 0 40 FHAB O=S(=O)(NC(C1CC1)C1CC1)c1ccc(Br)cc1Cl 24475015 AWWDZDPEEGGRSI-UHFFFAOYSA-N 364.692 3.569 0 40 FHAB COc1ccnc(N2CCN(Cc3sc4ccccc4c3Cl)CC2)n1 24840916 TWTPMRPKZGLNEV-UHFFFAOYSA-N 374.897 3.676 0 40 FHAB COc1ccc(C(=O)CSc2nnnn2C2CCCCC2)cc1Cl 27811581 IAWKAODYBLZYOD-UHFFFAOYSA-N 366.874 3.815 0 40 FHAB C[C@@H](Cn1cc(Cl)cn1)C(=O)NCc1csc(-c2ccccc2)n1 28242336 GQERNRIVDMQVLR-LBPRGKRZSA-N 360.870 3.613 0 40 FHAB O=c1[nH]c2cc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)ccc2o1 29855395 MFAQZOULJYSPRC-UHFFFAOYSA-N 372.446 3.970 0 40 FHAB CN(C)c1ncccc1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 31681906 FVVWLVWLNWIOFA-UHFFFAOYSA-N 360.389 3.802 0 40 FHAB O=C(NCCSCc1ccccc1)C1(c2ccccc2)CCOCC1 32711062 MBAKNSZJNCWKBH-UHFFFAOYSA-N 355.503 3.784 0 40 FHAB CCc1ccc([C@@H](CNCc2ccc(OC)c(OC)c2OC)N(C)C)cc1 32735870 GSQYEPVXLBLTDT-LJQANCHMSA-N 372.509 3.667 0 40 FHAB CNC(=O)c1cccc(NC(=O)COc2ccc3c(c2)[nH]c2ccccc23)c1 32745362 HPWRTJOMHPTUDH-UHFFFAOYSA-N 373.412 3.698 0 40 FHAB CC(=O)NCCc1ccc(C(=O)COc2c(Cl)cccc2Cl)s1 32788910 OLRLFMNKBPRHKI-UHFFFAOYSA-N 372.273 3.995 0 40 FHAB Cc1cc(C)n2ncc(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)c2n1 32795851 ISHKWCVVMIOISA-UHFFFAOYSA-N 364.405 3.640 0 40 FHAB Cc1ccc(C)c([C@H](C)NC(=O)COc2cccc(NC(=O)C3CC3)c2)c1 32817836 QQHASAFZBZOQFO-INIZCTEOSA-N 366.461 3.908 0 40 FHAB NC(=O)[C@@H](OC(=O)c1ccc(C2SCCCS2)cc1)c1ccccc1 32882387 RKBNCDPPMATHCV-INIZCTEOSA-N 373.499 3.939 0 40 FHAB O=C(CCn1cccn1)NC[C@H]1CC2c3ccccc3C1c1ccccc12 40080000 KIWHEDXLLFICME-SGZOKEPCSA-N 357.457 3.687 0 40 FHAB COc1ccc(C2=CCN(C(=O)[C@@H]3Cc4cc(Cl)ccc4O3)CC2)cc1 40122421 MPONMGDXTHRZCP-FQEVSTJZSA-N 369.848 3.968 0 40 FHAB O=C(NCCCn1ccnc1)c1cc2sccc2n1Cc1ccccc1 40809187 GROYKNDZQDMARP-UHFFFAOYSA-N 364.474 3.768 0 40 FHAB O=C(Cc1csc(Cc2ccccn2)n1)Nc1cnc2ccccc2c1 41615539 BWPCIQYCVOEJBH-UHFFFAOYSA-N 360.442 3.858 0 40 FHAB Cc1cc(OCC(=O)Nc2cccc(C)c2C)nc(N2CCCCCC2)n1 44169993 SFAJASWGERKTLM-UHFFFAOYSA-N 368.481 3.800 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 44846792 UKSYOOUZCJMWCU-WBVHZDCISA-N 357.450 3.663 0 40 FHAB CCN(Cc1cccc(Cl)c1)C(=O)CN1C(=O)CSc2ccccc21 45395445 NBAYEGYYRMXCHO-UHFFFAOYSA-N 374.893 3.827 0 40 FHAB CC[C@H]1c2ccsc2CCN1C(=O)NCc1cccc(NC(C)=O)c1 45617218 KCLRBRQJRYHMCW-KRWDZBQOSA-N 357.479 3.926 0 40 FHAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccc(F)cc1C(F)(F)F 46817712 VPHMCORVPSAKSR-QFYYESIMSA-N 369.314 3.689 0 40 FHAB COc1ccc(CNC(=O)Nc2cccc(Cl)c2)c(OC)c1OC 47324327 MZXSUZRVAUEFJD-UHFFFAOYSA-N 350.802 3.688 0 40 FHAB Cc1ccc2c(c1)CCCN2C(=O)c1ccc(OCC(F)(F)F)nc1 48302982 RIKPGGIMYRPQBS-UHFFFAOYSA-N 350.340 3.924 0 40 FHAB CCn1/c(=N/C(=O)c2ccccc2Oc2cccnc2)[nH]c2ccccc21 51977750 BQVFKPSOMDNVGD-UHFFFAOYSA-N 358.401 3.918 0 40 FHAB COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc(NC(C)=O)cc1 54845724 LQMKDZFMKHNBDN-LBPRGKRZSA-N 372.446 3.551 0 40 FHAB O=C(Nc1ccc(C(=O)N2CCCCC2)c(O)c1)c1cc(F)cc(F)c1 55092843 YHFZVYXFSXXAFC-UHFFFAOYSA-N 360.360 3.549 0 40 FHAB CCc1ccccc1NC(=O)CN1CCN(c2ccccc2Cl)CC1 57381112 KLEXRBBWGODVMF-UHFFFAOYSA-N 357.885 3.663 0 40 FHAB CCN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccc(C)c2)CC1 58148891 AUUFAZJIWIYCPJ-UHFFFAOYSA-N 374.488 3.625 0 40 FHAB Cc1cc(C)cc(NC(=S)NCc2cccc(N3CCOC3=O)c2)c1 60434562 MMTYLETVLSAAKY-UHFFFAOYSA-N 355.463 3.747 0 40 FHAB CC1CCN(C(=O)[C@@H]2CCCN(C(=S)N[C@@H](C)c3ccccc3)C2)CC1 63875766 DOYFYLMVGBORBD-PKOBYXMFSA-N 373.566 3.593 0 40 FHAB Cc1ccc(C2(CNC(=O)CSc3ccccc3)CCOCC2)cc1 68168973 YTAJAZFBDKCFNT-UHFFFAOYSA-N 355.503 3.952 0 40 FHAB Cc1nc(-c2ccncc2)sc1C(=O)Nc1nnc(CC(C)C)s1 71283725 IWESUZBTPWALAP-UHFFFAOYSA-N 359.480 3.816 0 40 FHAB O=C(CCc1ccc(F)cc1)N1CCC[C@@H]1c1cccc(-n2ccnc2)n1 72378825 RLMKPQUDHVJUSU-LJQANCHMSA-N 364.424 3.703 0 40 FHAB CC(C)CN1CCC(C[C@@H]2CC(c3cccc(F)c3)=NO2)(C(=O)O)CC1 72389713 KMMIQPCTGLVPSF-KRWDZBQOSA-N 362.445 3.532 0 40 FHAB CCc1cc(N[C@H](C)[C@@H](O)c2ccc(F)cc2)nc(-c2ccncc2)n1 78620189 QZKIQZKVXDHINO-BFUOFWGJSA-N 352.413 3.774 0 40 FHAB O=C(c1ccc(NCc2nnc(C3CC3)o2)cc1Cl)N1CCCCC1 86206806 LTSIJTTZPLSEOR-UHFFFAOYSA-N 360.845 3.839 0 40 FHAB O=S(=O)(c1ccc(Nc2ccc3c(c2)OCCCO3)cc1)C(F)(F)F 95347291 UJAGRHXWXIAJRF-UHFFFAOYSA-N 373.352 3.885 0 40 FHAB Cc1nc(CN2CCC3(CC2)CCN(Cc2nccs2)CC3)cs1 96100635 DCTIGIJDKYOKGQ-UHFFFAOYSA-N 362.568 3.786 0 40 FHAB CCOc1cccc2cc(C(=O)NNc3cccc(Cl)c3)c(=O)oc12 96191243 ZAONWKSDHOCIJX-UHFFFAOYSA-N 358.781 3.602 0 40 FHAB Fc1cc(F)cc(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)c1 100755977 VDEUVQSPRPMSFD-VQIMIIECSA-N 356.420 3.617 0 40 FHAB CC[C@]1(C)Cc2nc3nc(S)n(-c4ccc(C)cc4)c(=O)c3cc2CO1 100895077 HPIKFZCADMHNBF-HXUWFJFHSA-N 367.474 3.619 0 40 FHAB N=c1c2c(ncn1Cc1ccco1)Oc1cc(O)ccc1[C@H]2c1ccco1 101365194 LRVQCMZXVNJDFV-KRWDZBQOSA-N 361.357 3.588 0 40 FHAB C[C@H](OC(=O)c1nc(Cl)ccc1Cl)C(=O)N[C@@H]1CCCC[C@@H]1C 105305510 FKHDQJUUJLDAQN-JBLDHEPKSA-N 359.253 3.629 0 40 FHAB Cc1cc(C)c([C@H](C)NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1C 223436388 UWWMVMRPROURRI-INIZCTEOSA-N 374.506 3.783 0 40 FHAB Cc1ccnc(NC(=S)NCc2nc(-c3ccccc3Cl)no2)c1 225819987 YWFPESDKYWMQSG-UHFFFAOYSA-N 359.842 3.580 0 40 FHAB O=C(/C=C/c1ccccc1)N1CCN(c2ccc(-n3cccc3)cc2)CC1 226246178 JIWHLBRPTNUOMU-MDWZMJQESA-N 357.457 3.839 0 40 FHAB NC(=O)c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 226340115 WSPGNKVYNBOWQJ-UHFFFAOYSA-N 358.594 3.920 0 40 FHAB Cc1noc([C@@H]2CN(C(=O)NCc3cccs3)C[C@@H]2c2ccccc2)n1 238971833 ZMGSEPJJIWDOSA-IAGOWNOFSA-N 368.462 3.532 0 40 FHAB Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 242981396 HRBSRZYOOZMMTL-MRXNPFEDSA-N 356.853 3.626 0 40 FHAB CN(C)c1cccc(C(=O)N2CC[C@H](Oc3cccc4cccnc34)C2)c1 244983782 IQXXVBUXCNCVES-IBGZPJMESA-N 361.445 3.594 0 40 FHAB COC[C@@H]1CN(Cc2ccsc2)CC12CCN(Cc1cccnc1)CC2 247891262 TUIRYEXYLFVJOK-FQEVSTJZSA-N 371.550 3.504 0 40 FHAB CNc1cc(C)nc([C@H]2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)c1 257271614 MZBDGTAVWBFCMW-ZDUSSCGKSA-N 352.413 3.682 0 40 FHAB O=C(N1CCCC1)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 257305805 SRQGMGRVUXSTSC-UHFFFAOYSA-N 350.462 3.710 0 40 FHAB Cc1ccc(-c2nnc(CN(C)C(=O)Cc3ccc(Cl)cc3)o2)cc1 408714107 IUZSHXWLKOENRX-UHFFFAOYSA-N 355.825 3.900 0 40 FHAB CCN1C(=O)/C(=C/c2ccccc2OCc2cccc(F)c2)N(C)C1=S 409036073 KHHKZASCUNWCKM-ATVHPVEESA-N 370.449 3.824 0 40 FHAB Cn1nc2c(c1NC(=O)Nc1cccc(OC(F)(F)F)c1)CSC2 524733632 ZOYYOIROLRPGHS-UHFFFAOYSA-N 358.345 3.710 0 40 FHAB Cc1csc(-c2cccc(NC(=O)N3CC[C@@H](c4n[nH]c(C)n4)C3)c2)n1 572616702 ZUPWGHSRRSNRFW-CQSZACIVSA-N 368.466 3.566 0 40 FHAB CCCCC(=O)N1CCC2(CC1)OCC[C@H]2CCOCc1ccccn1 575405320 YPNMUIFBZMGAEJ-GOSISDBHSA-N 360.498 3.576 0 40 FHAB C[C@H]1CN(c2cccc(Cl)c2)CCN1C(=O)c1c[nH]c2ncccc12 578540630 GRWKYZZRWSBQEU-ZDUSSCGKSA-N 354.841 3.567 0 40 FHAB CC(C)(c1ccccc1)c1n[nH]c(=NC(=O)N2CCC[C@@H]2C2CC2)s1 592931431 NDUPDOAJTISFTG-OAHLLOKOSA-N 356.495 3.692 0 40 FHAB O=C([C@@H]1CCCN1Cc1ccc(Cl)cc1)N1CCc2c(O)cccc2C1 629151464 GHICGXZLXCNUKG-IBGZPJMESA-N 370.880 3.595 0 40 FHAB CCOc1ccc(C(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)cn1 1324007479 PJLIBSCJBRLGKX-HXUWFJFHSA-N 362.429 3.611 0 40 FHAB Cc1nn(C)cc1C(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1ccc(F)cc1 1615117675 BXBICYJIURDUPB-OALUTQOASA-N 370.472 3.530 0 40 FHAB Cc1cccc(CC2CN(C(=O)N[C@@H](C)[C@H]3COc4ccccc43)C2)c1 1616045572 LMXCDDVAHJZPQE-OXJNMPFZSA-N 350.462 3.744 0 40 FHAB Cc1csc(C(=O)N2CCC[C@]3(CCCN(c4nccc(C)n4)C3)C2)c1 2056224228 MLMKBUXXJAUQKI-FQEVSTJZSA-N 370.522 3.678 0 40 FHAB Cc1cccc2sc(N3C[C@H]4CN(c5ncccc5F)C[C@@H]4C3)nc12 2086868842 QXVAKHCYWLBMKW-ZIAGYGMSSA-N 354.454 3.711 0 40 FHAB CCOc1ccccc1C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3 943424 MXHVYZAPLJQYSX-UHFFFAOYSA-N 350.370 3.900 0 40 FHAB COc1cccc(NC(=O)[C@@H](C)OC(=O)COc2c(C)cc(C)cc2C)c1 6551681 LJCOSGYIRLDTJG-MRXNPFEDSA-N 371.433 3.570 0 40 FHAB C[C@@H](OC(=O)c1ccc(N2CCCCCC2)nc1)c1nc(C2CC2)no1 61169696 NLGWEWNSJBWLCB-CYBMUJFWSA-N 356.426 3.640 0 40 FHAB O=C(NC1CCCCC1)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 7882037 AMCQEMZCPLKSMN-LLVKDONJSA-N 355.265 3.795 0 40 FHAB CCN(CC)c1ccc2cc(-c3nc4ccccc4c(=O)[nH]3)c(=N)oc2c1 8665843 KNNPAJBJUSJPJF-UHFFFAOYSA-N 360.417 3.662 0 40 FHAB O=C1c2ccccc2C(=O)N1C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 104808610 FUMNMHITSNBOBF-SKLAPFLYSA-N 360.251 3.769 0 40 FHAB Cc1ccccc1N1C[C@H](C(=O)Nc2ccc(Br)cc2)CC1=O 1445076 GWSHGIPVBLXMCJ-CYBMUJFWSA-N 373.250 3.749 0 40 FHAB Cc1nc(-c2ccccc2)sc1C(=O)NCCCCN1CCCCC1=O 58005310 CKJKLPLIGWOCMS-UHFFFAOYSA-N 371.506 3.641 0 40 FHAB FC(F)(F)C12C3(C(F)(F)F)[C@@]45C=C[C@]1(CC[C@]21C=C[C@@]3(CC4)O1)O5 100660860 KDYYIGLVOYNXIM-MDEYVFOQSA-N 350.258 3.827 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](c2ccccc2F)c2nccn2C)cc1 12550422 ZAWKCLMXAPRYLM-HNAYVOBHSA-N 367.424 3.541 0 40 FHAB CCn1c(CNC(=O)CCC(=O)c2ccc(C)c(C)c2)nc2ccccc21 57996218 HOIHNQICRLNYQK-UHFFFAOYSA-N 363.461 3.952 0 40 FHAB C[C@H]1CCc2ccccc2N1CC(=O)Nc1cccc(N2CCCC2=O)c1 10053680 PPSPOZYKHCVWSZ-INIZCTEOSA-N 363.461 3.593 0 40 FHAB Cc1ccccc1OCCNC(=O)COc1ccc(Cl)cc1Cl 26531318 POBOFMGXUUATLO-UHFFFAOYSA-N 354.233 3.876 0 40 FHAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc2c(c1)CCC2 58160434 IQKHFYWTDQJZOX-UHFFFAOYSA-N 369.896 3.589 0 40 FHAB CC(C)N1CCC[C@@H](CNC(=O)CCc2ncc(-c3ccccc3)o2)C1 58172252 PCABTEFWHNCQAL-KRWDZBQOSA-N 355.482 3.511 0 40 FHAB Cc1csc(CCNC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)n1 58227342 MYUVZEOSCBIIDA-UONOGXRCSA-N 365.296 3.676 0 40 FHAB Cn1cc(-c2nc(C(=O)N[C@@]3(C)CCCc4ccccc43)cs2)cn1 58331305 YBCWWXNXERCQRV-IBGZPJMESA-N 352.463 3.525 0 40 FHAB COC(=O)c1c(NC(=O)c2sc(C)nc2C)sc2c1CCCC2 58612644 ZQXGJDMUFUHOSO-UHFFFAOYSA-N 350.465 3.739 0 40 FHAB CCCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 2303215 KLDAYHLQEHJNRF-TZMCWYRMSA-N 352.360 3.683 0 40 FHAB CCCCCN1C(=O)[C@@H](C(=O)OCC)[C@@H](C(C)C)n2c1nc1ccccc12 20675502 OUWGCJRMTRGRLZ-ZWKOTPCHSA-N 371.481 3.950 0 40 FHAB CC(C)c1nc2sc3c(NCCN(C)C)ncnc3c2c2c1CCC2 2429322 WBSHJVNYEUTEEG-UHFFFAOYSA-N 355.511 3.825 0 40 FHAB CCOc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccc(F)cc1 22540354 NSLHJLBZLRSLKI-LLVKDONJSA-N 357.834 3.917 0 40 FHAB COCc1cccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c1 29146198 PSDMWCXVDXBSAS-HXUWFJFHSA-N 350.418 3.736 0 40 FHAB CNC(=O)c1ccc(Cl)c(NC(=O)N[C@@H](C)c2ccc(F)c(F)c2)c1 48502935 FXBVKCTWONLSNO-VIFPVBQESA-N 367.783 3.861 0 40 FHAB Cc1oc2nc(CSc3ccc4ccccc4c3)[nH]c(=O)c2c1C(=O)O 12985753 LRIWXABIDUAJFQ-UHFFFAOYSA-N 366.398 3.968 0 40 FHAB COc1ccccc1NC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 12978633 YSTDVCZZIPCUBM-IBGZPJMESA-N 356.422 3.985 0 40 FHAB CC1(C)Cc2cccc(Oc3ccc4nnc(C(F)(F)F)n4n3)c2O1 12984461 HOEPONDWJFIKOX-UHFFFAOYSA-N 350.300 3.649 0 40 FHAB CC(C)[C@H](NC(=O)c1ccc(Cl)nc1Cl)c1nnc2ccccn12 20714892 XIPQVVMLQLUCGT-ZDUSSCGKSA-N 364.236 3.558 0 40 FHAB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)c(Br)cc1O 13881311 BCMATAXKEHNZHR-WUXMJOGZSA-N 372.240 3.610 0 40 FHAB Cc1cccc(CN2CC[C@@]3(CCn4c(-c5cccs5)cnc43)C2)n1 306127918 GKPBUFNKVWBFHO-HXUWFJFHSA-N 350.491 3.862 0 40 FHAB CC(C)c1nnc(S[C@H](C(N)=O)c2ccc(F)cc2)n1Cc1ccco1 14093512 NIDOUQBOCASNKI-HNNXBMFYSA-N 374.441 3.501 0 40 FHAB CCOc1ccc(NC(=O)COC(=O)c2cc3c(s2)CCCC3)cc1 5307854 FLGSEXWLGBUWBN-UHFFFAOYSA-N 359.447 3.821 0 40 FHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)COc1ccc(SC)cc1 14160050 WIWUQEBUTCGHNE-UHFFFAOYSA-N 359.447 3.565 0 40 FHAB O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NCCc1ccccc1 14123608 DMVILMOQGYKGOC-INIZCTEOSA-N 360.866 3.502 0 40 FHAB Cc1ccc(O)c(C(=O)c2cnc(Nc3nc(C)c4ccccc4n3)nc2)c1 6590003 RGEXWMGTOSBAOQ-UHFFFAOYSA-N 371.400 3.717 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)Nc1nnc(CCc2ccccc2)s1 4696308 UKZGKUAEJVRXSO-AWEZNQCLSA-N 353.447 3.729 0 40 FHAB Cc1cccc(C[C@H](C(=O)Nc2cccc3ccccc23)c2nn[nH]n2)c1 5519756 FZMVMQJESQZHQI-SFHVURJKSA-N 357.417 3.626 0 40 FHAB COc1ccc(N2C(=O)[C@H](CN3CCCCC3)[C@@H]2c2ccccc2)cc1 5720516 LLCAMQMPRIAKTP-RTWAWAEBSA-N 350.462 3.885 0 40 FHAB CCNC(=O)c1cccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c1 15024548 DHSKOBOKBFSQFJ-UHFFFAOYSA-N 364.445 3.527 0 40 FHAB CN(Cc1ccsc1)C(=O)CSc1nnc2sc3ccccc3n12 9157869 DCWWRMPONICMRL-UHFFFAOYSA-N 374.516 3.756 0 40 FHAB Cc1ccc(N2C[C@H](c3nnc(NC(=O)CC(C)C)s3)CC2=O)cc1C 9198344 NQWPCEUGSFMLOH-CQSZACIVSA-N 372.494 3.660 0 40 FHAB COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)CC(C)C)cc1 9267074 KMQIJYKBBYENDL-UHFFFAOYSA-N 364.445 3.835 0 40 FHAB CCN(C(=O)CN(C)CC(=O)Nc1c(C)cc(C)cc1C)C1CCCCC1 7524121 CVYQDWLDJQXGNJ-UHFFFAOYSA-N 373.541 3.663 0 40 FHAB COc1ccc(-c2noc([C@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)n2)cc1 7615837 NCROUFDIKMLTER-INIZCTEOSA-N 363.417 3.883 0 40 FHAB FC(F)(F)c1cccc(-c2n[nH]c3c2CN(C2CCOCC2)CC3)c1 19842256 LDSPCFVPDBBCAU-UHFFFAOYSA-N 351.372 3.633 0 40 FHAB Cc1cccc(-c2nnc(SCC(=O)Nc3cccnc3Cl)n2C)c1 9641365 QHKWKFVRNMGNLF-UHFFFAOYSA-N 373.869 3.570 0 40 FHAB CN(C)/C=C1\C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21 96835763 SQBQHGQIVUZMHJ-KAMYIIQDSA-N 360.335 3.795 0 40 FHAB COC(=O)c1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1 409008391 XVBQOGCBDNCMQJ-LGMDPLHJSA-N 367.426 3.752 0 40 FHAB COc1cc(CN(C(=O)[C@H](C)Cc2ccccc2F)C2CC2)ccc1O 84640771 SJOAFGSLWAHXJX-CQSZACIVSA-N 357.425 3.910 0 40 FHAB Cc1c(C(=O)N2CCC(Cc3cccnc3)CC2)cnn1Cc1ccccc1 95458059 QXNVNDGPRGSBED-UHFFFAOYSA-N 374.488 3.730 0 40 FHAB COCc1nc(N[C@H](C)c2nc[nH]n2)c2c(-c3ccccc3)csc2n1 95455205 QJYOKAOVCAHOQC-LLVKDONJSA-N 366.450 3.796 0 40 FHAB COc1cccc(-n2ccnc2SC[C@@H](O)c2cc(F)ccc2F)c1 89471414 ACVNFMDPSDRROO-QGZVFWFLSA-N 362.401 3.985 0 40 FHAB Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2scnc2C2CC2)C1 89811412 JGDUILSOLWFICS-HNNXBMFYSA-N 359.470 3.867 0 40 FHAB CC(C)(C)NC(=O)c1cccc(N2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)c1 408721158 DHHBWMNSCPCJNJ-VFNWGFHPSA-N 356.466 3.531 0 40 FHAB Cc1nccn1-c1ccccc1CNC(=O)c1ccccc1Br 20104140 AOOJYSFZQPCISH-UHFFFAOYSA-N 370.250 3.873 0 40 FHAB CC(=O)c1ccc(N2CCN(CC(=O)c3ccccc3Cl)CC2)cc1 67206228 HWPQVFDVLWHGJQ-UHFFFAOYSA-N 356.853 3.548 0 40 FHAB CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)CCc1ccccc1 71980463 BWOXITUZCGLNSO-DKTYTTGXSA-N 373.493 3.864 0 40 FHAB O=c1[nH]c2ccccc2n1C1CCN(CCCOc2ccc(F)cc2)CC1 72109000 VNSQNNPGGZXQAN-UHFFFAOYSA-N 369.440 3.575 0 40 FHAB COc1cccc(-c2noc([C@@H]3CCN(Cc4ccccc4OC)C3)n2)c1 72369877 ALDXGPHIUFUNHG-QGZVFWFLSA-N 365.433 3.743 0 40 FHAB COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccccc1 72414167 HTRBCCLDTCFTFO-UHFFFAOYSA-N 356.241 3.567 0 40 FHAB COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1ccccc1)CC(C)(C)O2 219490045 QBFHTDQDDVTKBQ-KDOFPFPSSA-N 355.434 3.881 0 40 FHAB Cc1ccc(C(C)C)c(OCC(=O)N2CCN(c3ccccc3)CC2)c1 47209469 XIACSRHWGJRKOM-UHFFFAOYSA-N 352.478 3.846 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 222959755 IGGSGPJPWZPCNH-IBGZPJMESA-N 372.896 3.826 0 40 FHAB COc1ccccc1CN(C)C(=O)COc1cccc(C(F)(F)F)c1 45477545 BEQUDIVOLWFPPJ-UHFFFAOYSA-N 353.340 3.751 0 40 FHAB O=S(=O)(c1cc(-c2ccno2)cs1)N1CCSc2ccccc21 44902997 BKXIQWXHKAWNGX-UHFFFAOYSA-N 364.473 3.704 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 223636834 PNDPLJSWSOTDEJ-MRXNPFEDSA-N 372.896 3.744 0 40 FHAB CN(C)c1cccc(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)c1 40069938 WXZPCKBZBPWMRR-UHFFFAOYSA-N 357.417 3.739 0 40 FHAB CCCOc1c(Cl)cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1OCC 48323944 WLJSSEJZVOPOJU-STQMWFEESA-N 355.862 3.777 0 40 FHAB CS(=O)(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 89489974 HHJXBDGFLIUSNY-UHFFFAOYSA-N 373.356 3.721 0 40 FHAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCC(C)C)cc1 224399461 IKXYXPOFZJIWCT-AQTBWJFISA-N 372.490 3.690 0 40 FHAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1noc(C(C)(C)C)n1 45810303 FJNBMWGQWUSOAO-UHFFFAOYSA-N 371.268 3.744 0 40 FHAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1 225103116 JNGPRXNOGKQYHO-OAQYLSRUSA-N 366.505 3.871 0 40 FHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCSCc1ccco1 224012839 UZCJRYDFNBUCOD-OAHLLOKOSA-N 359.491 3.975 0 40 FHAB Cc1ccccc1CN(C(=O)Cc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C 222676134 KXEQOSLNOVDGPC-SFHVURJKSA-N 366.505 3.870 0 40 FHAB CCCSc1nnc(NC(=O)[C@H](CC)Oc2cccc(OC)c2)s1 223634312 FLBIAPJAQSBDDL-ZDUSSCGKSA-N 367.496 3.845 0 40 FHAB O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(Cc2cnoc2C2CC2)C1 583615375 CXZPSZZJAPBRFK-HOTGVXAUSA-N 352.356 3.879 0 40 FHAB Cc1cccc(C(=O)NC2CCN(c3cc(-c4cccs4)n[nH]3)CC2)c1 98212822 HEXIGXSPZJHMFK-UHFFFAOYSA-N 366.490 3.845 0 40 FHAB CC(C)n1cnc2ccc(NC(=O)c3cc(-c4ccccc4)n[nH]3)cc2c1=O 96118605 NANXUAFJJKQSPI-UHFFFAOYSA-N 373.416 3.620 0 40 FHAB O=C(c1cscn1)N1CC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 96203017 QHKANBYJSBGTIB-UHFFFAOYSA-N 361.898 3.535 0 40 FHAB O=C(NC[C@H]1CCOC2(CCC2)C1)Nc1nc(C2CCOCC2)cs1 333233338 YNKJDGHKXXJAKT-ZDUSSCGKSA-N 365.499 3.508 0 40 FHAB CCN(CC)CC[C@@H]1CN(C(=O)c2cc3ccccc3o2)Cc2cncn21 248232369 CEMXJOULJIBFDL-QGZVFWFLSA-N 366.465 3.558 0 40 FHAB CCc1cccc(CC)c1NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 243115133 JGVNLNOXIRCFIH-UHFFFAOYSA-N 374.506 3.525 0 40 FHAB Cc1noc([C@@H]2CCN(Cc3ccc(-c4ccccc4C(=O)O)cc3)C2)n1 257271876 NADSPACPZDXCBI-QGZVFWFLSA-N 363.417 3.733 0 40 FHAB CC1CCN([C@H](CNC(=O)Nc2nccs2)c2cccs2)CC1 42739019 PDADRMFBBIGVNW-CYBMUJFWSA-N 350.513 3.799 0 40 FHAB NC(=O)c1ccc(-c2ccc([C@H]3CCCCN3Cc3ccccn3)cn2)cc1 257210750 BWAOUMRSDXSZAT-JOCHJYFZSA-N 372.472 3.970 0 40 FHAB C[C@@H]1CN(c2ccnc(Cc3ccc(F)cc3)n2)CCN(C2CCC2)C1 621318898 HBUOHKFTJZSKQK-INIZCTEOSA-N 354.473 3.517 0 40 FHAB Cc1ccc(Cc2nnc(NC(=O)[C@@H]3[C@@H]4Cc5ccccc5[C@H]43)s2)cc1 625385510 BVGDXLURHABGLB-BHIYHBOVSA-N 361.470 3.962 0 40 FHAB c1cc(OCCN2CCCC2)ccc1CN1CCC[C@@H]1[C@@H]1CCCOC1 648047864 FRIJGIHJSVHUPX-IFMALSPDSA-N 358.526 3.552 0 40 FHAB Cc1cc2oc(=O)cc(CN3CCN(c4ccccc4F)CC3)c2cc1C 54105995 IUWRXONZNRXFLM-UHFFFAOYSA-N 366.436 3.871 0 40 FHAB biogenic O=C(O)C1CCC(C(=O)NCc2cccc(Oc3ccc(F)cc3)n2)CC1 652083580 FTMGHOPHERIICK-UHFFFAOYSA-N 372.396 3.520 0 40 FHAB CO[C@](C)(CNC(=O)c1ccc2nsnc2c1)c1cccc(Cl)c1 96392502 BNVXPRHDSZSXIQ-QGZVFWFLSA-N 361.854 3.636 0 40 FHAB Cc1cccc(C(=O)N2CC3(C[C@@H](OCc4cccc(C)n4)CS3)C2)c1 575405759 ZWNUZZLPDVKNMG-LJQANCHMSA-N 368.502 3.615 0 40 FHAB C[C@H](NC(=O)c1ccc(CSc2ncn[nH]2)cc1)c1cccc(F)c1 24954066 AXVHMPKZJFVKRZ-LBPRGKRZSA-N 356.426 3.727 0 40 FHAB CC(C)CN1CC[C@]12CCCN(C(=O)COc1ccc3ccccc3c1)C2 585102040 ONRIYRNFAMBJOW-QHCPKHFHSA-N 366.505 3.942 0 40 FHAB C[C@@H]1C[C@@H]1C(=O)N1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1 68272194 IMIWIKCSHURIDQ-DYVFJYSZSA-N 354.416 3.784 0 40 FHAB Clc1ccc2c(NC[C@H](c3ccccc3)N3CCOCC3)ncnc2c1 32770035 PSBDLKXNWAGFJX-LJQANCHMSA-N 368.868 3.769 0 40 FHAB O=S(=O)(c1c[nH]c2ncccc12)N1Cc2ccccc2-c2ccccc21 57118854 HQKOEKOVWCNBDB-UHFFFAOYSA-N 361.426 3.939 0 40 FHAB CCc1ccc(Cl)c(CC)c1NC(=O)N[C@H](C)CN1CCCC1=O 77221593 PFXWWRRPVKRANN-GFCCVEGCSA-N 351.878 3.597 0 40 FHAB C[S@@](=O)c1cccc(NC(=O)N[C@@H](c2ccccc2)C(F)(F)F)c1 95960201 BZXCJBIBVKMCGH-BSEYFRJRSA-N 356.369 3.849 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3O)n[nH]2)cc1C 5518423 SWIJQDKPGHQSEA-ZDUSSCGKSA-N 368.462 3.913 0 40 FHAB Nn1c(SCCCC(=O)c2ccc(F)cc2)nnc1-c1cccc(F)c1 5676015 RISFYEPDJRXWBF-UHFFFAOYSA-N 374.416 3.692 0 40 FHAB C[C@@H](Cc1cccs1)C(=O)N1CCC(c2nn(C)c3ncccc23)CC1 12186807 GJMMWWCBEWVBHS-AWEZNQCLSA-N 368.506 3.615 0 40 FHAB Cc1cnc(-c2nc(C3CCN(Cc4ccc(Cl)cc4)CC3)no2)cn1 12337363 ZPNWWOVUQRIFPV-UHFFFAOYSA-N 369.856 3.868 0 40 FHAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3)o2)c1 12674654 UALDIAWNBJFLKZ-UHFFFAOYSA-N 355.419 3.688 0 40 FHAB CCCc1cc(OC(=O)Cc2ccccc2)n(-c2nc3ccccc3[nH]2)n1 13639577 AOBMUHRZPSAAIJ-UHFFFAOYSA-N 360.417 3.849 0 40 FHAB COC(=O)c1ccc(/C=C2\SC(=O)N(CNc3ccccc3)C2=O)cc1 14922129 ZQKFBHDPDLRBOS-WJDWOHSUSA-N 368.414 3.579 0 40 FHAB Cc1cc(N2CCN(Cc3nc4ccccc4s3)CC2)nc(C(C)C)n1 15033243 MTJLJSPOIUIPKC-UHFFFAOYSA-N 367.522 3.840 0 40 FHAB CCc1nccn1C[C@H](C)C(=O)Nc1ccc2c(c1)nc(C(C)C)n2C 19523596 WIUCKFQIWWKACU-AWEZNQCLSA-N 353.470 3.730 0 40 FHAB COc1cc2sc(NC(=O)CCCn3ccnc3)nc2cc1Cl 19550663 VUMUIWOZNVKUFH-UHFFFAOYSA-N 350.831 3.574 0 40 FHAB Cn1cc(CN2CCCCC[C@@H]3N[C@H](Cc4ccccc4)C[C@@]32C)cn1 19713494 CROCDCCARVOGPN-FSSWDIPSSA-N 352.526 3.528 0 40 FHAB COc1ccc([C@@H](OC(=O)c2cccs2)C(=O)NC2CCCC2)cc1 4889870 FNOZXGAEHDLFHH-QGZVFWFLSA-N 359.447 3.714 0 40 FHAB C[C@@H](N[C@@H]1CCN(c2ncccc2Cl)C1)c1ccc(C(F)F)nc1 657904728 MINOIEJGRAILBW-DGCLKSJQSA-N 352.816 3.997 0 40 FHAB CC(=O)c1cccc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1 4902278 HLEICCQQKCANTM-UHFFFAOYSA-N 352.434 3.897 0 40 FHAB O=C(CSC1CCCC1)NC[C@](O)(c1ccsc1)c1cccs1 253409107 ZLWONZLMGPPXTH-KRWDZBQOSA-N 367.561 3.838 0 40 FHAB Cc1cc(Br)cnc1N1CCC[C@@H](N(C)C(=O)C(C)(C)C)C1 2086949975 NZSIFCUBXGZKLH-CQSZACIVSA-N 368.319 3.626 0 40 FHAB Cn1nc(-c2cccc(NC(=O)c3ccc4ccccc4c3)c2)ccc1=O 10325136 FAFVYUGCLGSIOL-UHFFFAOYSA-N 355.397 3.853 0 40 FHAB CCc1nnc(-c2ccc(NC(=O)CCc3ccc(OC)cc3)cc2)o1 12443904 KEOMUEVSOAWQBX-UHFFFAOYSA-N 351.406 3.879 0 40 FHAB Cc1ccc(C(=O)N2CC[C@@]3(COc4ccc(-c5cccnc5)cc43)C2)o1 2055785167 QSCOILOHVGAICU-QFIPXVFZSA-N 360.413 3.826 0 40 FHAB CCc1nc2sc([C@@H](c3cccc(OC)c3)N3CCCCC3)c(O)n2n1 22853113 RHHSEVGOMWKQOK-MRXNPFEDSA-N 372.494 3.643 0 40 FHAB CCN(C(=O)c1ccc(-n2cncn2)cc1)C1C2CC3CC(C2)CC1C3 40139154 MBNOLZQDRNVFNF-UHFFFAOYSA-N 350.466 3.554 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC[C@@H]2c2ccsc2)c1C 40154227 UUDFSYIMQNPLGD-UKRRQHHQSA-N 360.479 3.888 0 40 FHAB O=C1C[C@H](C(=O)NCc2ccc(F)cc2C(F)(F)F)c2ccccc2N1 40134409 BPAJTQKCCMLWJV-ZDUSSCGKSA-N 366.314 3.587 0 40 FHAB COc1c2c(cc3c1[C@@H](n1c(C)cc4ccccc41)N(C)CC3)OCO2 20111893 QALWOCBAGFCWCP-OAQYLSRUSA-N 350.418 3.722 0 40 FHAB biogenic O=C(c1cc2ccccc2cc1O)N1CCO[C@@H](c2ccc(F)cc2)C1 31176741 PTWYYIFTKXKAOX-HXUWFJFHSA-N 351.377 3.898 0 40 FHAB CCOCc1ccccc1CNC(=O)/C=C/c1cc(OC)cc(OC)c1 32809507 KNCUGPVJOHAANB-MDZDMXLPSA-N 355.434 3.570 0 40 FHAB Cc1cccn(C(=O)c2cc(O)nc3ccccc23)/c1=N/C1CCCCC1 102541578 STXDSACRJXGRKP-XTQSDGFTSA-N 361.445 3.972 0 40 FHAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)c1cccs1 790149 AQUYMOTYOVAMBI-UHFFFAOYSA-N 352.444 3.852 0 40 FHAB CCc1nnc(N2C(=O)c3ccccc3[C@@]2(O)c2ccc(Cl)cc2)s1 1076466 YEBVGDMPUBTTSZ-SFHVURJKSA-N 371.849 3.608 0 40 FHAB COc1ccc(-c2nc3n(n2)C(=O)C[C@H](c2ccc(F)cc2)S3)cc1 1473485 GLPCVPWMLOZFSE-OAHLLOKOSA-N 355.394 3.970 0 40 FHAB O=C(NC(=S)Nc1ccc(Cc2ccncc2)cc1)c1cccs1 2210185 KQHTZNMJNGNINR-UHFFFAOYSA-N 353.472 3.861 0 40 FHAB COc1ccccc1CCn1cnc2c([nH]c3ccc(Cl)cc32)c1=O 2297857 JRHNOAOYWYEFJK-UHFFFAOYSA-N 353.809 3.783 0 40 FHAB CCOC(=O)[C@@H](C)Oc1ccc(NC(=O)C(Cl)=C(Cl)Cl)cc1 2383435 AYUDEACANRFKLX-MRVPVSSYSA-N 366.628 3.841 0 40 FHAB CCOC(=O)[C@H](OP(=O)(OCC(C)C)OCC(C)C)C(F)(F)F 2565350 UGGDQHPTIONWKP-NSHDSACASA-N 364.297 3.950 0 40 FHAB Cc1cccc(-c2nsc(SCC(=O)NCCc3ccccc3)n2)c1 2917572 AJYKIHNHFYWKIA-UHFFFAOYSA-N 369.515 3.965 0 40 FHAB CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccccc1 3365671 WYXIATZLIIJXHC-NSHDSACASA-N 360.435 3.507 0 40 FHAB COc1ccc2nc(NC(=O)/C=C/c3ccc(OC)c(OC)c3)sc2c1 3479302 AMXJCSRGDYALNM-WEVVVXLNSA-N 370.430 3.974 0 40 FHAB CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nnc1-c1ccccc1 3507128 ASUGEPOMYMVYJN-BFYDXBDKSA-N 372.538 3.998 0 40 FHAB CC[C@@]1(C)C[C@](CCNC(=O)CCC(=O)O)(c2ccc(C)cc2)CCO1 4028940 JBKSUNPCAFGEPO-LEWJYISDSA-N 361.482 3.583 0 40 FHAB biogenic CCOC(=O)[C@H]1CCCN(C(=O)CSc2ccc3ccccc3c2)C1 4948325 KWRKNFOOVWPIPC-KRWDZBQOSA-N 357.475 3.734 0 40 FHAB O=C([C@H]1C[C@H]2CC[C@@H]1C2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 5019622 NUGNDGUTWSCSFP-VBQJREDUSA-N 352.400 3.790 0 40 FHAB COc1ccc(C)cc1CSc1nnc(-c2ccc(Cl)cc2)n1N 5281913 LMBUNMUXKQXUSZ-UHFFFAOYSA-N 360.870 3.922 0 40 FHAB COc1ccc(OC)c(-c2ccc(=O)n(Cc3c(F)cccc3Cl)n2)c1 5409646 IMGISULOKXFXFC-UHFFFAOYSA-N 374.799 3.768 0 40 FHAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(C(F)(F)F)cc1 5704775 PAEXCNNLKSGVBZ-OAHLLOKOSA-N 352.356 3.865 0 40 FHAB COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 6848464 HWCCWEYVURPCFT-CQSZACIVSA-N 364.401 3.683 0 40 FHAB O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1cc(F)ccc1F 6997893 GUHNVMNDYAZATL-UHFFFAOYSA-N 358.344 3.561 0 40 FHAB Cc1nc2ccc(C(=O)O[C@@H](C)C(=O)NC3CCCCCC3)cc2nc1C 7840541 YWJYHPJRYXCFTG-HNNXBMFYSA-N 369.465 3.631 0 40 FHAB COc1ccc2oc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c(C)c2c1 7950530 DQMBEYKKQMBSAF-UHFFFAOYSA-N 368.408 3.851 0 40 FHAB CCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)c1ccccc1 8087613 ALARDFDTWSOCSK-LJQANCHMSA-N 374.506 3.896 0 40 FHAB Cc1cc(/C=N/c2ccc(C(=O)O)cc2)c(C)n1NC(=O)c1ccccc1 8334592 NJNLUTNQGWYBQO-LPYMAVHISA-N 361.401 3.938 0 40 FHAB Cc1cc(Cl)ccc1NC(=O)CSc1ncn(-c2ccccc2)n1 8336310 DHIUZQSLQWBJNE-UHFFFAOYSA-N 358.854 3.960 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 8392348 ZDLXLKPEKGXLAM-RUDMXATFSA-N 372.852 3.837 0 40 FHAB Cn1c(SCCCOc2ccccc2C(=O)O)nnc1-c1ccccc1 8731720 QKHFPRIEIXQFKS-UHFFFAOYSA-N 369.446 3.742 0 40 FHAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cnc2ccccc2n1 8744789 REJZSMPGQPETAT-UHFFFAOYSA-N 360.417 3.508 0 40 FHAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccco2)N1Cc1cccnc1 8845477 NJSXREJZIMTOSN-FQEVSTJZSA-N 372.384 3.516 0 40 FHAB O=C(NC1CCCCCC1)[C@@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 8992198 WULPHGYZUUBOGI-GOSISDBHSA-N 367.493 3.859 0 40 FHAB Cc1cccc(NC(=O)[C@@H](NC(=O)C2CCC(C(C)C)CC2)C(C)C)n1 9096400 GVPLNCWHMMQINW-TVPLGVNVSA-N 359.514 3.932 0 40 FHAB COc1cc(OC)c(C(=O)Nc2ccccc2OC(F)(F)F)cc1OC 9337211 XLRSKNOWZRDITA-UHFFFAOYSA-N 371.311 3.863 0 40 FHAB CCN(CC)c1ccc(NC(=O)[C@@H]2Cc3ccc(Cl)cc3C(=O)O2)cc1 9668254 GQKTZBHCAPIZAF-SFHVURJKSA-N 372.852 3.906 0 40 FHAB CC(=O)N1CCC(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)CC1 9872203 PZDJVOIOOWVSOI-UHFFFAOYSA-N 369.446 3.753 0 40 FHAB COc1ccc(OCCCC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 9900615 SLLPHXNUJDQAJG-UHFFFAOYSA-N 364.445 3.920 0 40 FHAB COc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c(OC)c1 10544458 MJPMPFWECYYUIG-AWEZNQCLSA-N 365.433 3.600 0 40 FHAB Cc1ccc(CSCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 10948483 MNBGPXSSSBDKAI-UHFFFAOYSA-N 354.475 3.994 0 40 FHAB CC(C)Cn1c(SCC(=O)N[C@H](C)c2ccco2)nnc1-c1ccco1 11136268 ZRLGVLCIXSELIQ-CYBMUJFWSA-N 374.466 3.757 0 40 FHAB CCn1/c(=N\C(=O)c2cc(OC)cc(OC)c2)sc2cc(F)ccc21 12180887 NBBULBPBNGDCFR-CZIZESTLSA-N 360.410 3.620 0 40 FHAB CC1(C)Cc2c(cnn2Cc2ccccc2)[C@@H](NC(=O)c2ccccn2)C1 12239220 TUXDLLZISYOWLR-IBGZPJMESA-N 360.461 3.770 0 40 FHAB COc1ccc(CN2CCc3sccc3[C@@H]2C)cc1CN1CCOCC1 12241056 GXNNYJUIGJTLDU-INIZCTEOSA-N 372.534 3.708 0 40 FHAB Cc1nc(Nc2nc(C)c3ccccc3n2)[nH]c(=O)c1CCc1ccccc1 12390515 OSNLJUOIWOMKGC-UHFFFAOYSA-N 371.444 3.859 0 40 FHAB Cn1c(SCC(=O)c2ccc3ccccc3c2)nnc1C(F)(F)F 12614161 JIPVEUXYQJZRNW-UHFFFAOYSA-N 351.353 3.962 0 40 FHAB COc1ccc(CN2CCC[C@@H]3CN(C(=O)CC(C)C)C[C@@H]32)c(C)c1C 12734482 NRFMWHYHHPDKJB-UXHICEINSA-N 358.526 3.781 0 40 FHAB Cc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc1C 12819733 DZYHQVQRSJESIE-HUUCEWRRSA-N 359.495 3.621 0 40 FHAB COc1cc(C(=O)NCc2ccc(CN3CCCC3)cc2)cc(OC)c1C 13018689 IUTCMKBBMHRWIW-UHFFFAOYSA-N 368.477 3.538 0 40 FHAB CCN(CC)CCNc1nc2sc3c(c2c2nc(C)nn12)C[C@@H](C)CC3 13724941 SDAJRYICAWFICR-LBPRGKRZSA-N 372.542 3.526 0 40 FHAB O=C(COc1cccc2cccnc12)N[C@@H]1CCSc2ccccc21 14171439 WPDFTQNDIHBGNX-MRXNPFEDSA-N 350.443 3.967 0 40 FHAB O=C(OCc1cc(=O)n2c(-c3ccccc3)csc2n1)c1cccs1 15734234 NVSPIXAXFOCKEW-UHFFFAOYSA-N 368.439 3.842 0 40 FHAB CCC(=O)Nc1c(Br)cc(Cl)c(N)c1Br 16609840 IWSLZKOGBDNKDC-UHFFFAOYSA-N 356.445 3.796 0 40 FHAB CN1CCc2nc(NC(=O)c3ccc(Cc4ccccc4)cc3)sc2C1 16837660 CQWPPSQQROUMLB-UHFFFAOYSA-N 363.486 3.974 0 40 FHAB COc1ccc(Nc2ccc(NC(=O)Cn3c(C)csc3=O)cc2)cc1 17593353 BBBVJQIZQFQKAH-UHFFFAOYSA-N 369.446 3.609 0 40 FHAB CCCc1nnc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)s1 18890164 VYYZUVWBTKCXKZ-UHFFFAOYSA-N 353.451 3.806 0 40 FHAB CC(C)c1ccc(CN2CCc3nc(C4CCNCC4)ncc3C2)cc1 19453304 JFCDWFMXVRWNTR-UHFFFAOYSA-N 350.510 3.625 0 40 FHAB COc1cc2c(cc1OC)C13CCN(CC1)[C@H](c1cccs1)N3CC2 19550708 SAQBNOYAUUGCPJ-IBGZPJMESA-N 356.491 3.627 0 40 FHAB CCC(=O)N1CCC([C@H]2CCCCN(CCc3ccccc3)C2=O)CC1 19744965 AREUZQUDIXIYGW-HXUWFJFHSA-N 356.510 3.506 0 40 FHAB COc1cccc(C(=O)NCc2csc(-c3ccccc3)n2)c1OC 20496435 FBEZXVSFALZDLD-UHFFFAOYSA-N 354.431 3.757 0 40 FHAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Oc1ccc2c(c1)OCO2 22240097 RLYCFAHZQQISBO-UHFFFAOYSA-N 355.321 3.748 0 40 FHAB COc1cccc([C@H](c2sc3ncnn3c2O)N2C[C@@H](C)C[C@@H](C)C2)c1 22609829 UMFZSOKLQBKPFH-DVOMOZLQSA-N 372.494 3.572 0 40 FHAB CC(=O)Nc1ccc(CC(=O)NCc2cccc(C(F)(F)F)c2)cc1 22905473 JZZJAUBUAAKVBP-UHFFFAOYSA-N 350.340 3.523 0 40 FHAB Cc1csc(CNC(=O)c2cccc(OCc3c(C)noc3C)c2)n1 23149828 GBUZMLLCAVKKKM-UHFFFAOYSA-N 357.435 3.565 0 40 FHAB Cc1nnc(SCC(=O)NC2CCC(C)CC2)n1C1CCCCC1 23952120 QBWGUJQKSIVMAC-UHFFFAOYSA-N 350.532 3.879 0 40 FHAB COc1cccc(N2CCN(C(=O)/C=C/c3ccc([C@@H]4C[C@@H]4C)o3)CC2)c1 24576730 DQHOAZKSQLBPTC-CTLVEUTNSA-N 366.461 3.774 0 40 FHAB O=C(Nc1ccc(Cl)cc1F)[C@H]1CCCN(C(=O)c2ccco2)C1 24987237 UIAHLJILZKLQSD-NSHDSACASA-N 350.777 3.563 0 40 FHAB CCOC(=O)c1sc(-c2ccc(C)cc2)cc1NC(=O)c1cnccn1 25924312 LAYMKCNOIFZGRC-UHFFFAOYSA-N 367.430 3.943 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1C 26843947 SIMFRCTUMYMKGZ-UHFFFAOYSA-N 356.241 3.567 0 40 FHAB Cc1cc(C)n(CCCNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 27508858 SELWFTZJACZTNG-ZDUSSCGKSA-N 370.280 3.781 0 40 FHAB Cc1noc(C)c1COc1ccccc1C(=O)NCc1ccccc1F 27764436 MNSPVXCEPBKMFY-UHFFFAOYSA-N 354.381 3.940 0 40 FHAB CN(C[C@H]1COc2ccccc2O1)C(=O)Nc1nc2ccccc2s1 31036465 XPSORYQVXFJERB-LBPRGKRZSA-N 355.419 3.600 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1C 31395421 VQKUGMXCNQYNAY-LBPRGKRZSA-N 367.449 3.674 0 40 FHAB CCn1c(=O)n(Cc2cc(Cl)c3c(c2)OCCCO3)c2ccccc21 32885765 SPSQNSYJVXHQDR-UHFFFAOYSA-N 358.825 3.686 0 40 FHAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2nc(-c3ccc(F)cc3)cs2)C1 33899750 ZMNLQGSBFCCZLK-DZGCQCFKSA-N 367.449 3.735 0 40 FHAB CC(C)n1ncc2c(C(=O)NCc3ccccc3F)c3c(nc21)CCC3 36356984 NJRSEUASYVVFBL-UHFFFAOYSA-N 352.413 3.570 0 40 FHAB FC(F)n1c(CSc2nncn2Cc2ccco2)nc2ccccc21 40042787 KNYXCNNYXSLFHN-UHFFFAOYSA-N 361.377 3.957 0 40 FHAB Cc1ccc(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c(C)c1 40090615 MANVXRALWJWDJI-UHFFFAOYSA-N 352.434 3.557 0 40 FHAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ccc2c(c1)CCC(=O)N2 40146774 WCOJBTQAHZQVNH-QGZVFWFLSA-N 352.434 3.916 0 40 FHAB O=C(Nc1nccs1)c1cc(=O)c(OCc2ccc(Cl)cc2)co1 40282976 CPYKTDWSMYKSSY-UHFFFAOYSA-N 362.794 3.581 0 40 FHAB CCCC[C@H](CC)C(=O)N1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21 40386269 FYFWJYOQJDVQPI-MAUKXSAKSA-N 356.466 3.771 0 40 FHAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cccc(OCC(=O)N(C)C)c1 44479293 KFJWVQWEHLHZDS-CQSZACIVSA-N 374.868 3.640 0 40 FHAB Cc1nc(C2(NC(=O)CCOc3ccc(C)c(C)c3)CCCCC2)no1 44689477 NZRUBFNZPOYDBZ-UHFFFAOYSA-N 357.454 3.740 0 40 FHAB C[C@H]1CN(C(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)C[C@@H](C)O1 44775516 ODTDXCOKXATKRY-XUWVNRHRSA-N 356.491 3.982 0 40 FHAB CC1(C)Oc2ccc(NC(=O)c3cccnc3N3CCCCC3)cc2O1 46097034 IGMPXHGXSNPHKF-UHFFFAOYSA-N 353.422 3.832 0 40 FHAB Cc1c(C(=O)N[C@H](C)c2nnc3ccccn23)oc2c(Cl)cccc12 48374491 LKRVBYARHILTEN-LLVKDONJSA-N 354.797 3.928 0 40 FHAB COc1ccc(CN(C)C(=O)Nc2cccc(-n3cccn3)c2)cc1OC 48555866 WAHQGDZBQZFWLG-UHFFFAOYSA-N 366.421 3.553 0 40 FHAB O=C(COc1coc(CN2CCCCC2)cc1=O)c1ccc(Cl)cc1 49550410 YTYBZVWTKRSLEX-UHFFFAOYSA-N 361.825 3.541 0 40 FHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC1CCN(C(C)C)CC1 54460029 NEXFNSYLXJKPAS-UHFFFAOYSA-N 365.543 3.644 0 40 FHAB Cc1ccc(C)c(NC(=O)CN2CCN(c3cccc(C)c3C)CC2)c1 57364172 VJVAHOPLBYVTHX-UHFFFAOYSA-N 351.494 3.681 0 40 FHAB CCOCCSc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1 57530374 ILGPZKKSAMZZHP-UHFFFAOYSA-N 364.490 3.521 0 40 FHAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(S(C)(=O)=O)c1 58111605 JVEHXGRHGPIERC-WOJBJXKFSA-N 371.502 3.889 0 40 FHAB CCNC(=O)COc1ccc(NC(=O)N[C@H](c2ccccc2)C(C)C)cc1 58160999 RNRHLDMQRFQZER-FQEVSTJZSA-N 369.465 3.720 0 40 FHAB Cc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4ccco4)C3=O)co2)c(C)c1 58214512 HSVJWQUHOVRFAW-HXUWFJFHSA-N 365.389 3.519 0 40 FHAB CC(C)c1noc(CN[C@H](C(=O)Nc2ccccc2)c2ccccc2)n1 58283413 JJGFDUOZRNSUGF-SFHVURJKSA-N 350.422 3.663 0 40 FHAB Cc1ccc(CSc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)cc1 64592959 XKWFEARQSODEGR-UHFFFAOYSA-N 366.421 3.620 0 40 FHAB Cc1noc(C2(NC(=O)c3ccc(C(F)(F)F)cc3)CCCCC2)n1 65257831 YAQTUUVHPAQMQE-UHFFFAOYSA-N 353.344 3.986 0 40 FHAB O=C(Nc1ccc(CCN2CCCC2)cc1)c1ccc(Cn2ccnc2)cc1 65877044 KBSUTYGIXBFLND-UHFFFAOYSA-N 374.488 3.822 0 40 FHAB O=C(Nc1ccc2oc(=O)ccc2c1)Nc1cnn(Cc2ccccc2)c1 67719813 ODNBCKOEPVNJAT-UHFFFAOYSA-N 360.373 3.682 0 40 FHAB CSCCc1ccc(NC(=O)c2cnn(-c3ccccn3)c2C)cc1 67855749 CLCMMACPYXMAFK-UHFFFAOYSA-N 352.463 3.734 0 40 FHAB Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(C(F)F)c1C(=O)O 68575088 OQFXDZABGASXIM-UHFFFAOYSA-N 355.650 3.884 0 40 FHAB in-vitro O=C(CC1CCCC1)N1CCN(C2CCCC2)C[C@@H](Cc2ccccn2)C1 72355183 JOTQBHNCVRSSGB-HXUWFJFHSA-N 369.553 3.907 0 40 FHAB CCN(CC)C(=O)CN1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 72357644 NXSQKXUHENXISO-NRFANRHFSA-N 369.484 3.817 0 40 FHAB Cc1cccc(Nc2cncc([C@H]3CCCN(Cc4cccnc4)C3)n2)n1 72360967 FFDPVGYANRTSHK-SFHVURJKSA-N 360.465 3.698 0 40 FHAB Cc1ccc(CC(=O)N2CCC[C@H]2c2nn(C)cc2-c2cc(C)no2)cc1 72390706 DFSVRGXONGFMAJ-SFHVURJKSA-N 364.449 3.598 0 40 FHAB C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ccccc1N1CCCCCC1 84098345 BMSPFSCZPVWOJB-ZWKOTPCHSA-N 360.498 3.980 0 40 FHAB Cc1nccn1-c1ccccc1CNC(=O)c1ccc(-c2cnco2)cc1 84291123 RREIKIRZLBPDHD-UHFFFAOYSA-N 358.401 3.766 0 40 FHAB CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1cnn(-c2ccccc2)c1 95463164 ZXKKGVIWJBXTKB-IFXJQAMLSA-N 353.397 3.517 0 40 FHAB Cc1nc(Cl)c(C)c(NNC(=O)c2cc3c(s2)CC[C@H](C)C3)n1 95464801 HGSJLLYOXDVQGE-QMMMGPOBSA-N 350.875 3.690 0 40 FHAB COCCn1cc(CC(=O)Nc2c(C)nn(C(C)C)c2C)c2ccccc21 95476063 IBORLPKJWRMHJP-UHFFFAOYSA-N 368.481 3.863 0 40 FHAB Cc1c([C@@H]2SCC(O)=Nc3ncn(-c4cccc(Cl)c4)c32)cnn1C 95480892 HIMBCVBJOQLGBW-INIZCTEOSA-N 373.869 3.992 0 40 FHAB c1cnc(N2CCC3(CC2)C[C@H](Nc2cccnc2)c2ccccc2O3)nc1 96079825 VWVRKAYSDCGRCA-IBGZPJMESA-N 373.460 3.847 0 40 FHAB Cc1cccc(C)c1NC(=O)CCC(=O)[C@@H](C)C(=O)c1ccc(O)cc1 104274086 GTUGVUAEHPHZJB-OAHLLOKOSA-N 353.418 3.816 0 40 FHAB CN(Cc1noc(C(C)(C)C)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 106569919 YNUMQJMBARDYML-UKRRQHHQSA-N 370.280 3.764 0 40 FHAB CC[C@@H](C)[C@@H](CO)NC(=O)c1ccc2nc(-n3c(C)ccc3C)sc2c1 209100586 VYXMDMSVLQJDCU-SJKOYZFVSA-N 371.506 3.841 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)COc1cccc2c1CCCC2 223474755 XLGFZNPLAGTMRC-UHFFFAOYSA-N 353.418 3.760 0 40 FHAB Cc1cc(-c2ccc(C(=O)O)cc2)nc([C@H]2CCN(C(=O)C(C)(C)C)C2)n1 257240879 HVNRWQAZCBNOOG-INIZCTEOSA-N 367.449 3.512 0 40 FHAB Cc1nc(CC2CC2)oc1C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 330006317 DZEIIJDLBCKFNF-UHFFFAOYSA-N 353.397 3.754 0 40 FHAB O=C(NC[C@@H]1CCOC2(CCC2)C1)Nc1nc(C2CCOCC2)cs1 333233337 YNKJDGHKXXJAKT-CYBMUJFWSA-N 365.499 3.508 0 40 FHAB Cc1ccc(C[C@H]2CCCN2C(=O)NCCn2cnc3ccccc32)cc1 503009344 NZLDENGBZLDTQG-LJQANCHMSA-N 362.477 3.761 0 40 FHAB Cc1ccc(C[C@H](C)N(C)S(=O)(=O)c2ccccc2OC(F)F)cc1 524122028 ACVXZGGSKFVESN-AWEZNQCLSA-N 369.433 3.848 0 40 FHAB O=C(COCc1cccnc1)N1CCC[C@H]1c1nc2ccccc2s1 562237532 KRHXDKAUGXSNND-INIZCTEOSA-N 353.447 3.572 0 40 FHAB COc1ccccc1CC(=O)Nc1ccccc1Cc1nc(C2CC2)no1 575608385 SSZCLUXNWGQPEX-UHFFFAOYSA-N 363.417 3.728 0 40 FHAB O=C(NCc1ccc2occc2c1)Nc1ccc(F)cc1N1CCOCC1 667229092 QJXGJYFCMYZZDP-UHFFFAOYSA-N 369.396 3.730 0 40 FHAB O=C(NC[C@]1(O)CCCc2occc21)Nc1ccccc1C(F)(F)F 1565523060 YHLKVPYYZGCLEJ-MRXNPFEDSA-N 354.328 3.644 0 40 FHAB COc1ccc2ccccc2c1[C@@H]1NC(=S)NC(C)=C1C(=O)OC(C)C 844849 HWOZBGHXKCABLU-GOSISDBHSA-N 370.474 3.593 0 40 FHAB CCN(CC)C(=O)CSc1nnc2c(C)cc3ccc(C)c(C)c3n12 903181 KLNDNGBFFNGLCA-UHFFFAOYSA-N 356.495 3.768 0 40 FHAB O=C(c1ccc(CSc2nc3ccccc3o2)cc1)N1CCOCC1 1083540 OAYCALBUPNFNHG-UHFFFAOYSA-N 354.431 3.593 0 40 FHAB O=C1Oc2ccccc2[C@@H]2c3sc(=O)[nH]c3S[C@@H](c3ccccc3)[C@H]12 1470486 QBSQXDUSRCMDLO-ZNMIVQPWSA-N 367.451 3.951 0 40 FHAB COc1ccc(C2=C[C@@H](c3ccc(OC)c(OC)c3)N=C(S)N2)cc1 2483421 UPNVCLGZCSJWTF-INIZCTEOSA-N 356.447 3.684 0 40 FHAB CCN(c1ccc(NC(=O)COc2ncnc3ccccc23)cc1)C(C)C 3277479 DRXJUJDHGVIKPD-UHFFFAOYSA-N 364.449 3.882 0 40 FHAB O=C1OCC[C@@H]1Sc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 3370266 RMNKHEZUACQKKN-HNNXBMFYSA-N 373.384 3.620 0 40 FHAB CCN(C(=O)CSc1nnc(C)n1Cc1ccccc1)c1ccccc1 3377413 XNWGCYKEMDEAPO-UHFFFAOYSA-N 366.490 3.780 0 40 FHAB C[C@H](NC(=O)CN(C)Cc1ccc(Br)cc1)c1ccccc1 3431410 DTTMFMKEELJZBE-AWEZNQCLSA-N 361.283 3.758 0 40 FHAB CCOc1ccccc1[C@H]1CC(c2ccc(OC)c(OC)c2)=NN1C(C)=O 4317632 ASBSFTUZJZGSQQ-GOSISDBHSA-N 368.433 3.800 0 40 FHAB CCOc1ccccc1NC(=O)CSc1ccc(-c2cccnc2)nn1 4391936 QKHPTERJRWUMSH-UHFFFAOYSA-N 366.446 3.668 0 40 FHAB COc1cc(C(=O)O[C@H](C)CN2[C@@H](C)CCC[C@@H]2C)cc(OC)c1OC 4454497 IFISOMHXZPOZTF-SOUVJXGZSA-N 365.470 3.521 0 40 FHAB CCCO[C@H]1CCCN(C(=O)c2cc(Cl)c(Cl)cc2C(=O)O)C1 4476137 JLZMZCOVVOTICF-JTQLQIEISA-N 360.237 3.723 0 40 FHAB O=c1[nH]c(O)nc2nc(SCc3ccc(Cl)c(Cl)c3)sc12 4987573 VRFZEWXVNRUVMH-UHFFFAOYSA-N 360.247 3.684 0 40 FHAB COc1ccc(OC)c(C(=O)OCC(=O)c2c(C)[nH]c3ccccc23)c1 5216790 BCTIBIIUNFKJCU-UHFFFAOYSA-N 353.374 3.533 0 40 FHAB Cc1ccc(NC(=O)c2cccn(Cc3cccc(F)c3)c2=O)cc1F 5268839 DVBYQJFCZJSQIP-UHFFFAOYSA-N 354.356 3.736 0 40 FHAB COc1ccc(CNC(=O)[C@H](C)Oc2ccc3ccc(OC)cc3c2)cc1 5365656 AJQGMIFEGJFBIL-HNNXBMFYSA-N 365.429 3.941 0 40 FHAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N(C)Cc1ccccc1 5400676 NORHVAUMQVETFN-CYBMUJFWSA-N 356.495 3.630 0 40 FHAB COc1cccc(-n2c(Cn3nc(C(F)(F)F)cc3C)n[nH]c2=S)c1 5425714 WKJYVOUBCYBKJX-UHFFFAOYSA-N 369.372 3.511 0 40 FHAB COc1ccc(CN(C)CC(=O)c2c(C)[nH]c3ccccc23)cc1OC 6507926 GFQNZAAPDDNLJP-UHFFFAOYSA-N 352.434 3.808 0 40 FHAB FC(F)(F)c1nc(N2CCCCC2)c2cnn(Cc3ccccc3)c2n1 6604322 DRRFXIPFFQTMFX-UHFFFAOYSA-N 361.371 3.884 0 40 FHAB Cc1cc(C)c(OCc2nnnn2-c2ccc(Br)cc2)c(C)c1 6759970 IMFLMEMLLONNSY-UHFFFAOYSA-N 373.254 3.929 0 40 FHAB CN1C2=C(C(=O)CCC2)C(c2ccc(N(C)C)cc2)C2=C1CCCC2=O 6949806 SEKVKWHFCVQWSO-UHFFFAOYSA-N 350.462 3.796 0 40 FHAB CC(=O)c1cc2c(cc1NC(=O)CSc1ccc3c(c1)CCC3)OCO2 7687994 XCVKJLONVXWWNK-UHFFFAOYSA-N 369.442 3.837 0 40 FHAB Cc1ccc(-c2noc(CN(C)C(=O)COc3cc(C)ccc3C)n2)cc1 7759495 LTANTNJCCOPLSN-UHFFFAOYSA-N 365.433 3.699 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(-c2csc(-c3ccccn3)n2)cc1 8209538 OMRLCYUZGMDFHA-UHFFFAOYSA-N 373.503 3.903 0 40 FHAB Cc1cc(OCC(=O)OCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)ccc1Cl 8276792 YCFQJZQTQOQBPP-JDFRZJQESA-N 367.873 3.511 0 40 FHAB CC[C@@H](CO)NCc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 8326296 MBXWMTFETJIBKG-HNNXBMFYSA-N 367.848 3.927 0 40 FHAB COc1ccc(C(C)(C)C)cc1NC(=O)CSc1nnc2ccccn12 8389847 ZHMLQLQJPZQOSJ-UHFFFAOYSA-N 370.478 3.766 0 40 FHAB CCc1ccc2oc(-c3ccc(NC(=S)NC(C)=O)cc3O)nc2c1 9064230 CBLIRBRYMPRGLO-UHFFFAOYSA-N 355.419 3.596 0 40 FHAB COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(F)cc2F)cc1F 9114601 VWEYXQQVEHBUQT-LLVKDONJSA-N 352.356 3.572 0 40 FHAB Cc1cc(C(=O)N(Cc2ccco2)c2nc3ccc(F)cc3s2)n(C)n1 9201018 AQXHYHCAOAVEPH-UHFFFAOYSA-N 370.409 3.917 0 40 FHAB Cc1csc2nc(CSCCOc3ccccc3F)cc(=O)n12 9314321 IISOYDOCNPDVAO-UHFFFAOYSA-N 350.440 3.516 0 40 FHAB O=C(Cc1ccsc1)Nc1cccc(-c2nnc3n2CCCCC3)c1 9377964 ONXWMJAWWNZMPL-UHFFFAOYSA-N 352.463 3.914 0 40 FHAB O=S(=O)(NCCCN1CCc2ccccc21)c1ccc2ccccc2c1 10113784 WBRZRRARVDGIQL-UHFFFAOYSA-N 366.486 3.571 0 40 FHAB O=C(CSc1nnc(Cc2ccccc2)o1)Nc1cc(F)cc(F)c1 12010296 SKQSPPFAETUKBU-UHFFFAOYSA-N 361.373 3.669 0 40 FHAB Cn1nccc1[C@H](NC(=O)c1cc(C2CCCCC2)no1)c1ccccc1 12194159 PDICNEQVMHDCOK-HXUWFJFHSA-N 364.449 3.975 0 40 FHAB O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCCC1)c1ccccc1Cl 12197329 NCDSJPMKPSCGOZ-KRWDZBQOSA-N 372.852 3.636 0 40 FHAB CCCNC(=O)c1nnn(-c2ccc3noc(-c4ccccc4)c3c2)c1C 12274472 RUNYBMAPZMHMII-UHFFFAOYSA-N 361.405 3.524 0 40 FHAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCCC[C@@H]1CN1CCCC1 12360891 VRCKLBIYELYSPO-QGZVFWFLSA-N 357.473 3.635 0 40 FHAB Cc1cc(OCC(=O)N[C@H](Cc2ncc[nH]2)c2ccccc2)ccc1Cl 12538759 MRKFLVRFULXRHU-GOSISDBHSA-N 369.852 3.851 0 40 FHAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(CN(C)C)cc2)CC1 12565271 PBEGPKGGYDXBMB-UHFFFAOYSA-N 371.912 3.672 0 40 FHAB CCN(CC(=O)Nc1cc(C)nn1-c1ccccc1C)Cc1ccccc1 12977464 QQLYZIXNBRUCHX-UHFFFAOYSA-N 362.477 3.950 0 40 FHAB COc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C3(c2ccccc2)c2ccccc2)c1 13142093 VMOOMKDGOZKWPW-OYRHEFFESA-N 369.420 3.801 0 40 FHAB OCCSc1nc2ccccc2c2nc(-c3ccc(Cl)cc3)nn12 13640179 KFNFIBOVWYAIRH-UHFFFAOYSA-N 356.838 3.682 0 40 FHAB CC(=O)c1cc(C(=O)c2cc(C)ccc2O)cn(-c2ccc(C)cc2)c1=O 14234626 IEYVYOYVISFHLM-UHFFFAOYSA-N 361.397 3.594 0 40 FHAB O=C(COc1ccccc1Cl)N1CCCC[C@@H]1CCN1CCCC1 15831518 FCBLKZNVVFFOGF-MRXNPFEDSA-N 350.890 3.586 0 40 FHAB CCOc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c(OCC)cc1C 16780064 QYFILAGRULHCMS-ZFWWWQNUSA-N 355.500 3.649 0 40 FHAB COc1ccccc1C1(CNC(=O)c2ccccc2Cl)CCOCC1 16970028 UNCLNTPZBPUFBI-UHFFFAOYSA-N 359.853 3.827 0 40 FHAB Oc1ccccc1-c1nc2cnccn2c1Nc1ccc2c(c1)OCCO2 18117707 QPKOVKBNNJJHRW-UHFFFAOYSA-N 360.373 3.617 0 40 FHAB CCCn1nc(C)c(C(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)c1C 19525832 DCWAMZIGLHZHKR-UHFFFAOYSA-N 365.481 3.806 0 40 FHAB Cc1ccc(CC(=O)Nc2cccc([C@@H]3CCc4nncn4C3)c2)cc1C 19699212 REDLXDSZARSEJV-LJQANCHMSA-N 360.461 3.806 0 40 FHAB C[C@H]1Oc2ccc(-c3csc(NC(=O)C(C)(C)C)n3)cc2N(C)C1=O 19796648 SJNIPNUPWXXLCN-SNVBAGLBSA-N 359.451 3.538 0 40 FHAB C[C@@H](NC(=O)c1cnc(-c2ccccc2)[nH]c1=O)c1ccc(Cl)cc1 19937334 RZIBRHHIHIMSTP-GFCCVEGCSA-N 353.809 3.581 0 40 FHAB CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCN(c2ccccc2OC)CC1 20107917 SAJQBLPWYXAYLH-HXUWFJFHSA-N 368.477 3.510 0 40 FHAB CCCCOC(=O)Cn1c(=N)n(Cc2ccccc2Cl)c2ccccc21 20146416 RKWPHRRFAPYWRF-UHFFFAOYSA-N 371.868 3.967 0 40 FHAB COc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)CCC3)cc1Cl 22235348 OHGGXAUZVZRDEW-UHFFFAOYSA-N 368.820 3.862 0 40 FHAB COc1cc2ccccc2cc1C(=O)Nc1nc2c(s1)CN(C)CC2 22698954 DOSAXZWGOZRKMN-UHFFFAOYSA-N 353.447 3.545 0 40 FHAB Cc1nn(CN2CCN(c3cc(Cl)ccc3C)CC2)c(=S)s1 24178296 RDFBVLAVVXKEGY-UHFFFAOYSA-N 354.932 3.724 0 40 FHAB Cc1cc(NC(=O)CN2CCCc3ccccc32)n(-c2ccc(F)cc2)n1 24762957 MFWYXRMALLHZGE-UHFFFAOYSA-N 364.424 3.711 0 40 FHAB O=C(CCSCc1cn2ccccc2n1)N[C@@H]1CCOc2ccccc21 24833996 XVKNUUFKOXKEOI-QGZVFWFLSA-N 367.474 3.598 0 40 FHAB O=C(CN1CCCc2cc(F)c(F)cc21)NCCc1c[nH]c2ccccc12 26343855 XRWTUNOKDJESQC-UHFFFAOYSA-N 369.415 3.558 0 40 FHAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc3ccccc23)c1 28195994 QNUQQDRWPSQADW-UHFFFAOYSA-N 355.415 3.736 0 40 FHAB CN(C)Cc1nc(SCC(=O)NC2CCCCCC2)c2ccccc2n1 31619090 KOSXWDOQMXMKCS-UHFFFAOYSA-N 372.538 3.623 0 40 FHAB CCOC(=O)COc1cccc(NC(=O)c2cc(Cl)ccc2F)c1 32033678 KLMCVNXQXJMWRL-UHFFFAOYSA-N 351.761 3.673 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)c2)cc1F 32586114 UBLHRAURFHZPRM-UHFFFAOYSA-N 374.231 3.706 0 40 FHAB COc1ccc2cc3cc(C(=O)OC4CCN(C)CC4)sc3nc2c1 33005402 NDYRCBAYUBJVLM-UHFFFAOYSA-N 356.447 3.709 0 40 FHAB C[C@H](CCN1CCN(c2ccccc2)CC1)NC(=O)CC1CCCCC1 41654854 PHGPSZDLJUMHDY-LJQANCHMSA-N 357.542 3.674 0 40 FHAB CCOc1ccccc1C(=O)Nc1ccc(OCc2nccn2C)cc1 42708511 KYBCSOYHSHYIKZ-UHFFFAOYSA-N 351.406 3.650 0 40 FHAB CC(C)c1nnc(NC(=O)N2CCC(OCc3ccccc3)CC2)s1 43699184 KTYSLZFIAQYQCO-UHFFFAOYSA-N 360.483 3.875 0 40 FHAB COCC(=O)Nc1cccc(NC(=O)c2nc(-c3cccs3)oc2C)c1 46575447 UHYIPLSFEOAOFH-UHFFFAOYSA-N 371.418 3.549 0 40 FHAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCCc1cnn(C)c1 46993105 CPJMXXWKTWFRAF-NSHDSACASA-N 355.269 3.672 0 40 FHAB CN(C(=O)c1cccc(NC(=O)NCC[C@@H]2CCCO2)c1)c1ccccc1 48300976 JZTYFDCFCYURFD-IBGZPJMESA-N 367.449 3.654 0 40 FHAB O=C(COC(=O)c1cccc(Cl)c1)NCc1ccccc1C(F)(F)F 51356156 FEHYJFFDSIOJAX-UHFFFAOYSA-N 371.742 3.832 0 40 FHAB C[C@@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc(Br)cc1 53175459 GEOFHQAIYTUWNJ-LLVKDONJSA-N 373.250 3.825 0 40 FHAB NC(=O)COc1cccc(C(=O)N2CCC[C@@H]2c2cccc3ccccc23)c1 56363463 XLOCXHCFAMHVNM-OAQYLSRUSA-N 374.440 3.681 0 40 FHAB O=C(c1csc(-c2ccccc2)n1)N1CCC(N2CCCCC2)CC1 58209368 ZDDPPDFZBFCCFH-UHFFFAOYSA-N 355.507 3.901 0 40 FHAB Cc1[nH]c2ccccc2c1CCNC(=O)c1ccn(-c2cccc(F)c2)n1 58294792 ACAKJMXUXGVQAM-UHFFFAOYSA-N 362.408 3.774 0 40 FHAB CCCOC(=O)c1ccc(NC(=O)NCCCc2nc(C(C)C)no2)cc1 58325326 JZGSEWYSIPBINM-UHFFFAOYSA-N 374.441 3.514 0 40 FHAB CC1(C)C[C@@H](NC(=O)NC(C)(C)C)C[C@@](C)(CNC(=O)NC(C)(C)C)C1 59461408 FKYQCOPNELIKSR-JLTOFOAXSA-N 368.566 3.767 0 40 FHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@@H]2c1cccc(OC(C)C)c1 71281200 SSUMODMIMRCJEA-MRXNPFEDSA-N 371.437 3.665 0 40 FHAB Cc1[nH]ncc1CCCNC(=O)c1cc(C2CC2)nc2ccc(F)cc12 72311900 KBXPLJVXBWXEPE-UHFFFAOYSA-N 352.413 3.645 0 40 FHAB CN(C)C(=O)CN1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1 72357959 NNXBWSPMUPXXDX-IBGZPJMESA-N 357.885 3.551 0 40 FHAB CN(CCOc1ccc(O)cc1)C(=O)c1ccccc1Oc1cccnc1 76016721 ABVSYSWVFOCYHM-UHFFFAOYSA-N 364.401 3.731 0 40 FHAB C[C@@H](CNS(=O)(=O)c1cc(F)cc(F)c1)c1nc2ccccc2s1 84640064 AIGBERGCXWWUHJ-JTQLQIEISA-N 368.430 3.657 0 40 FHAB Brc1cccc2c(NCCCOC[C@@H]3CCCO3)nccc12 95443265 JFQCVGBNHWXPNB-ZDUSSCGKSA-N 365.271 3.995 0 40 FHAB Cc1noc(C2CC2)c1NC(=O)Nc1ccc(C(=O)NCC(C)C)cc1 95945364 VDLWKFINJVICLO-UHFFFAOYSA-N 356.426 3.890 0 40 FHAB COC(=O)Nc1cccc(C(=O)Nc2cc(C)nn2-c2ccc(C)cc2)c1 95947518 ISSNEQJXTLSPLB-UHFFFAOYSA-N 364.405 3.920 0 40 FHAB CC1CCC2(CC1)OC[C@H](CNC(=O)Cc1ccc(C(F)(F)F)cc1)O2 95991341 FMLGTDHDCRTGFY-MNQCNDSGSA-N 371.399 3.686 0 40 FHAB COc1cccc(CN2CCC3(CC2)CCN(C(=O)C2CCC2)CC3)c1 96158421 GYVRKEIONVCLKQ-UHFFFAOYSA-N 356.510 3.700 0 40 FHAB Cc1cccc(CN2CCC[C@]3(CCN(C(=O)Nc4ccccc4)C3)C2)n1 96216188 RGENNEYTZHUQDU-QFIPXVFZSA-N 364.493 3.910 0 40 FHAB CC[C@@](CNS(=O)(=O)c1ccc(Cl)s1)(OC)c1ccccc1 96391899 CPDJBUKCQOYNAT-HNNXBMFYSA-N 359.900 3.632 0 40 FHAB CCC(CC)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 113936224 KLCSLCMBUFJGDK-UHFFFAOYSA-N 360.479 3.714 0 40 FHAB Cc1cc(S(=O)(=O)NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c(C)s1 127139128 YLVXTUBZESTVBG-GHMZBOCLSA-N 369.430 3.539 0 40 FHAB Cc1ccc(CNC(=S)Nc2ccc(N3C[C@@H](C)C[C@H](C)C3)nc2)o1 223907063 NENBNEUFADGVBI-KBPBESRZSA-N 358.511 3.952 0 40 FHAB Cc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1 224175970 SZQUTRBAHATZOS-IBGZPJMESA-N 366.505 3.727 0 40 FHAB CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(SC)cc1 224979677 DQWYTISNXVYMTQ-UHFFFAOYSA-N 367.492 3.641 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225056855 ZYCHTKQQSUOTAG-AWEZNQCLSA-N 360.410 3.535 0 40 FHAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 225096802 SUYQZFJGTYWPLK-NRFANRHFSA-N 366.505 3.871 0 40 FHAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225207440 LIECSUCNHJUCJN-SFHVURJKSA-N 366.505 3.906 0 40 FHAB O=C(NCc1ccc(-c2cccnc2)nc1)c1ccccc1Br 225765642 UOKHAJIFBDZNHI-UHFFFAOYSA-N 368.234 3.836 0 40 FHAB CCc1ccc([C@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)CC)cc2)cc1 225875316 SGDJXTGMPBYWSW-HNNXBMFYSA-N 374.506 3.526 0 40 FHAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1cnc(OCCOCC)c(C)c1 225905058 WCEAVGOSMSWPSA-FQEVSTJZSA-N 366.502 3.975 0 40 FHAB Cc1cc(Br)c(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1C 231427626 QFSWPTNPFRCRDQ-GHMZBOCLSA-N 360.317 3.733 0 40 FHAB OC1(COc2cccc(Cl)c2)CCN(Cc2ccc3[nH]cnc3c2)CC1 257243888 IJABEDWGSQJSCT-UHFFFAOYSA-N 371.868 3.622 0 40 FHAB Cc1cnccc1OC1CCN(C(=O)c2csc(C(C)(C)C)n2)CC1 278378697 PJFSQZSHNWZDME-UHFFFAOYSA-N 359.495 3.828 0 40 FHAB Cc1cc(C(=O)NC[C@H]2CCC[C@H]2c2ccccc2)n(C2CCOCC2)n1 529442501 MEVCFXTVKHDTCA-QUCCMNQESA-N 367.493 3.857 0 40 FHAB O[C@H](Cc1cccc(Cl)c1)CN1CC=C(c2c[nH]c3ncccc23)CC1 558099058 XMGOXCYNNSAYGV-GOSISDBHSA-N 367.880 3.909 0 40 FHAB O[C@H](CNC[C@@H]1CCOC2(CCC2)C1)Cc1ccc(C(F)(F)F)cc1 570082603 OPLVPBVXQZDQAK-WBVHZDCISA-N 357.416 3.548 0 40 FHAB O=C(CCc1cccc(Cl)c1)NC[C@@H](c1cccs1)n1cccn1 575613397 GVTBUQVKSBIXCE-INIZCTEOSA-N 359.882 3.936 0 40 FHAB CCc1c(NCc2nnc3n2CCCCC3)cnn1-c1ccccc1C 577584010 SLLVGHYUDLEAPA-UHFFFAOYSA-N 350.470 3.673 0 40 FHAB O=S(=O)(Cc1nc([C@@H]2CCc3ccccc32)no1)c1ccc(Cl)cc1 680750611 ICSARGTXUPZJRI-MRXNPFEDSA-N 374.849 3.775 0 40 FHAB C[C@@H](NC(=O)c1nn[nH]c1Nc1cccc(Cl)c1)c1ccc(F)cc1 826583329 LMPSLXDYHKDRAK-SNVBAGLBSA-N 359.792 3.832 0 40 FHAB O=C(CCc1ccc(F)c2ccccc12)Nc1nc(O)c2c(n1)CCCC2 1275598938 ZHSYTAMFKGXAHV-UHFFFAOYSA-N 365.408 3.925 0 40 FHAB COc1cc(NC(=O)Cc2sc(SCC(C)C)nc2C)ccn1 1521066011 UDUMEIYDOHZHPZ-UHFFFAOYSA-N 351.497 3.784 0 40 FHAB Cc1c(Cl)cccc1C(=O)N1CCc2ncnc(-c3cccnc3)c2C1 1565555639 FFVGKOOVZWTFQQ-UHFFFAOYSA-N 364.836 3.699 0 40 FHAB C=CC(=O)Nc1ccc(O)c(C(=O)N(CC)Cc2ccccc2Cl)c1 1629718285 PKUIPWAVGPRRHF-UHFFFAOYSA-N 358.825 3.832 0 40 FHAB COc1cccc2sc(N3CCC(N(C)c4ccccn4)CC3)nc12 1889186655 VRKJVBDRZMHMPO-UHFFFAOYSA-N 354.479 3.805 0 40 FHAB Cc1ccc(C(=O)N2CCC[C@](O)(COc3ccccc3)CC2)cc1F 2037912960 HCALTJQQOIIEAC-OAQYLSRUSA-N 357.425 3.570 0 40 FHAB FC(F)(F)c1cnc(N2CCC[C@H](COc3cnccn3)C2)c(Cl)c1 2298053044 QAPHJNLRKOGWSN-NSHDSACASA-N 372.778 3.839 0 40 FHAB COc1ccc(C(=O)CSc2nc3ccccc3nc2C)cc1OC 2699452 VSXILASSFGVYJH-UHFFFAOYSA-N 354.431 3.930 0 40 FHAB Cc1ccc(C)c(COC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)c1 8724356 AFCIRXAOXHARPQ-FQEVSTJZSA-N 353.443 3.976 0 40 FHAB CC[n+]1c(C)n(C[C@@H](O)COc2ccc(C(C)C)cc2)c2ccccc21 781049 JUNMZRQPVHCEQK-LJQANCHMSA-N 353.486 3.820 0 40 FHAB Clc1cc(CSc2nnc(N3CCCC3)s2)cc2c1OCCO2 52912321 CYDMZKDVAUEJEZ-UHFFFAOYSA-N 369.899 3.855 0 40 FHAB CCOC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(C)cc1 888269 WUQQXBKIIVSVFN-UHFFFAOYSA-N 367.474 3.822 0 40 FHAB O=C(NCc1cccs1)[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1 1379829 WVSOKCAQOAEJAL-OAHLLOKOSA-N 363.870 3.714 0 40 FHAB COc1cc(OC)cc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)c1 1422641 XOZBTZNDHNCLEY-UHFFFAOYSA-N 364.445 3.994 0 40 FHAB biogenic,in-vitro CC[C@H](CC(=O)N1CCC[C@H](c2n[nH]c(=S)n2C)C1)c1ccccc1 78621840 XRKKTEKVYDOBRX-ZBFHGGJFSA-N 358.511 3.768 0 40 FHAB O=C(Cc1ccc(NC(=O)C2CC2)cc1)N[C@@H]1CCCOc2ccccc21 79880603 NZLLATWBJHWSCE-LJQANCHMSA-N 364.445 3.608 0 40 FHAB Cc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1 679729 IGHRTZWXWJQQTP-UHFFFAOYSA-N 365.477 3.552 0 40 FHAB COc1ccc(C(=O)c2sc(NC(=O)c3ccccc3)nc2C)cc1 628436 DESSBXQZMCOSGA-UHFFFAOYSA-N 352.415 3.943 0 40 FHAB COc1ccc(CN2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1 785836 WHTZWBBLUTUZGE-UHFFFAOYSA-N 352.478 3.566 0 40 FHAB CCc1ccc(C2=Nn3c(nnc3-c3cccc(OC)c3)SC2)cc1 4586139 IXAKKXCZYALHJU-UHFFFAOYSA-N 350.447 3.874 0 40 FHAB CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2 4944279 QORGXULYLXRFBJ-QMMMGPOBSA-N 370.261 3.663 0 40 FHAB O=C(c1ccc(C(F)(F)F)nc1)N1CCN(c2ccc(Cl)cc2)CC1 22996773 RROYQOLIJLTWRK-UHFFFAOYSA-N 369.774 3.716 0 40 FHAB CCCOc1ccc(C(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1 7668853 JETXEZYINLDSHG-UHFFFAOYSA-N 351.406 3.764 0 40 FHAB Cc1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)cc2C)c1 8414475 CBAUHEQXHKRTPU-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB COc1ccccc1N1CSC2=N/C(=C\c3ccc(F)cc3)C(=O)N2C1 12325112 OIHFAVZXNZOMMI-GDNBJRDFSA-N 369.421 3.542 0 40 FHAB COc1ccc(CCC(=O)Nc2cc3c4c(c2)[C@@H](C)C(=O)N4CCC3)cc1 101078619 QGGBODVXLHGXHZ-CQSZACIVSA-N 364.445 3.663 0 40 FHAB O=C(NC(=S)Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(Cl)cc1 20457470 QTQYWFXJXPMLIO-UHFFFAOYSA-N 369.229 3.818 0 40 FHAB COc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCC1 27581653 CSJZWYQGYVNZRN-FQEVSTJZSA-N 352.478 3.961 0 40 FHAB O=C(OCCOc1ccccc1Cl)c1cncn1-c1ccc(F)cc1 21509579 PMKHIUJARVVHIA-UHFFFAOYSA-N 360.772 3.901 0 40 FHAB COc1ccc(-n2nnnc2C2(Nc3ccccc3OC)CCCC2)cc1 35622547 ITSWYEQUYKJBAA-UHFFFAOYSA-N 365.437 3.561 0 40 FHAB CC(C)[C@H](NCC(=O)NC(=O)Nc1ccccc1F)c1ccc(F)cc1 57830401 VUTSHHNHGZWZPQ-SFHVURJKSA-N 361.392 3.600 0 40 FHAB COc1cc(C(=O)NC[C@@H]2CCCO2)cc(Cl)c1OCCC(C)C 27393793 HAJKWXPHJKYEOU-AWEZNQCLSA-N 355.862 3.682 0 40 FHAB Cn1c(C(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)cc2ccccc21 58195870 KJWJFLRGDPXZPC-UHFFFAOYSA-N 371.481 3.555 0 40 FHAB Cc1noc(C2CCN(C(=O)Cc3ccc(Cl)cc3Cl)CC2)n1 58178857 LZPLDCUBIBFXOJ-UHFFFAOYSA-N 354.237 3.634 0 40 FHAB CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CC)cc1 27818946 AGLFGYBCPRHRLC-UHFFFAOYSA-N 373.503 3.771 0 40 FHAB O=C(Nc1ccn(Cc2cccnc2)n1)c1ccc2[nH]c3c(c2c1)CCCC3 58392765 KWSNMWCIZAYZJM-UHFFFAOYSA-N 371.444 3.939 0 40 FHAB CNC(=O)c1c(C)cccc1NC(=O)Cc1ccc(Cl)cc1Cl 58342749 ZTDHIDLFPXXCCU-UHFFFAOYSA-N 351.233 3.843 0 40 FHAB O=C(NCc1ccc(-n2cnc3ccccc32)cc1)c1cccnc1S 58429382 LMWACEMTVKFYNR-UHFFFAOYSA-N 360.442 3.639 0 40 FHAB COc1ccc(Br)cc1CN(C)Cc1noc(C(C)(C)C)n1 45810076 PLNYPSRHYQMIIQ-UHFFFAOYSA-N 368.275 3.770 0 40 FHAB CN(C(=O)CCNC(=O)c1ccc(F)cc1F)[C@@H]1CCCc2ccccc21 29257980 OQYUQICKHMJMRE-LJQANCHMSA-N 372.415 3.621 0 40 FHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Cc1ccccc1Cl 24225169 GTRZHPHVYXLOJX-UHFFFAOYSA-N 353.853 3.786 0 40 FHAB O[C@@H](c1ccccc1)C1CCN(Cc2nc(-c3cccs3)no2)CC1 29477469 RUYLNTGVGATJSG-SFHVURJKSA-N 355.463 3.744 0 40 FHAB COC(=O)CCNc1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 3378626 PZUFTAHZHKKUQH-UHFFFAOYSA-N 368.462 3.607 0 40 FHAB O=C(CSc1cccc[n+]1[O-])Nc1ccc(Nc2ccccc2)cc1 29860110 CDBAAFWLXNKTDK-UHFFFAOYSA-N 351.431 3.794 0 40 FHAB CCC(CC)[C@@H](CNC(=O)Nc1ccc(C)c(NC(C)=O)c1)N1CCCC1 48371089 YXXJJYMXSNOAKH-HXUWFJFHSA-N 374.529 3.976 0 40 FHAB CN(Cc1ccc(Br)cc1)C(=O)NCCc1cccs1 12896474 RUHYUPQRIUXMNJ-UHFFFAOYSA-N 353.285 3.895 0 40 FHAB COc1ccc(CC(=O)Oc2ccc(C)cc2Br)cc1OC 12818254 WGKUHYGTLLDVOY-UHFFFAOYSA-N 365.223 3.923 0 40 FHAB COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1ccc(Cl)cc1 3497966 IYHLJBMGMUJLQO-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 3427122 YCPHYGLDWOCTQQ-ZDUSSCGKSA-N 374.824 3.577 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2c(C)[nH]c3ccccc23)c1C 3597748 QTRWSEPZGBQQKH-UHFFFAOYSA-N 352.390 3.664 0 40 FHAB O=C(COc1ccccc1-c1ccccc1)NC(=O)NCc1ccccc1 12930665 NKAQJPUUHMDUQK-UHFFFAOYSA-N 360.413 3.758 0 40 FHAB O=C(CN1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1ccccc1Cl 12937966 WAFYUBLDTLEMRA-HNNXBMFYSA-N 371.868 3.629 0 40 FHAB O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(C(F)(F)F)c2)N1 3679019 BCAAQHIVHZXLCQ-HZPDHXFCSA-N 360.335 3.875 0 40 FHAB biogenic CC(=O)N[C@H](C)c1ccc(C2=NN=C(Nc3ccc(F)cc3)SC2)cc1 8935586 IIIPQVQIPXZGGU-GFCCVEGCSA-N 370.453 3.942 0 40 FHAB O=C(O)c1ccc(-n2c(-c3cc(-c4ccccc4)n[nH]3)n[nH]c2=S)cc1 8996525 PVVPDIJFJKFEOL-UHFFFAOYSA-N 363.402 3.685 0 40 FHAB COC(=O)c1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccccc2)cc1 49546125 PMDMGLMWUVOTNI-KRWDZBQOSA-N 361.401 3.842 0 40 FHAB C[C@H]1CN(c2ccc(NC(=O)c3cc(-c4ccco4)on3)cc2)C[C@H](C)O1 64510337 XHOJLOLUDRWPEW-KBPBESRZSA-N 367.405 3.801 0 40 FHAB COc1ccc(NC(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)cn1 71280484 LQOKDHYYQLREFC-UHFFFAOYSA-N 373.456 3.750 0 40 FHAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cccc(C[S@@](C)=O)c1 65565955 IZBKBXAYXORJOH-PTFIGZPYSA-N 366.486 3.806 0 40 FHAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OC)cc3OC)S2)cc1 408776180 MXWSPQXEOUYKER-ZMUHTPIZSA-N 370.474 3.866 0 40 FHAB CCn1nnc2cc(C(=O)Nc3nnc(C4CCCCC4)s3)ccc21 14197387 WACTWOJKUNMXBM-UHFFFAOYSA-N 356.455 3.603 0 40 FHAB O=C(NCC1(C2CCCCC2)CCCCC1)[C@H]1CCCCS1(=O)=O 96011273 ZNNPLXOLTJFHNN-QGZVFWFLSA-N 355.544 3.601 0 40 FHAB Cc1ccc(-c2cc3c(SCC(=O)NC(C)C)nccn3n2)cc1C 67289903 QDNNVGYWOSECAR-UHFFFAOYSA-N 354.479 3.630 0 40 FHAB CCOC(=O)c1c(NC(=O)/C=C\c2ccc3c(c2)OCO3)sc(C)c1C 15441613 AVPVNBULTJUSJF-VURMDHGXSA-N 373.430 3.922 0 40 FHAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3)ccc21 15867558 ZHPYFALJUSTRAR-UHFFFAOYSA-N 371.462 3.584 0 40 FHAB Cc1nc(N[C@H](C)[C@H](O)c2ccc(O)cc2)c2c3c(sc2n1)CCC3 7982113 IHCLNKPTUVOKJI-QGHHPUGFSA-N 355.463 3.728 0 40 FHAB Cc1nc2ccc(C(=O)NCc3ccccc3CN3CCCC3)cc2nc1C 8040264 YMRQLIJWRJHZCT-UHFFFAOYSA-N 374.488 3.772 0 40 FHAB O=c1c2cc(Cl)ccc2ncn1Cc1nc(-c2ccccc2Cl)no1 16671390 QHTKSFQDLIUSOK-UHFFFAOYSA-N 373.199 3.802 0 40 FHAB CC(C)c1cccc(NC(=O)CNC(=O)c2ccc(Br)o2)c1 8157726 OWKZNMPKTPFJBD-UHFFFAOYSA-N 365.227 3.534 0 40 FHAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1Cc1ncc(-c2ccccc2)o1 8157114 CDXJRCMVUNBQBL-QFIPXVFZSA-N 373.412 3.625 0 40 FHAB O=C(c1cc(=O)[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccco1 8391998 CRMIDSQWRVMCTA-UHFFFAOYSA-N 358.397 3.964 0 40 FHAB O=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1 9515319 UFPBGAJIJZUBGJ-UHFFFAOYSA-N 372.852 3.778 0 40 FHAB Cc1cc(C(C)(C)C)ccc1OC(=O)Cn1cnc2c(C)cccc2c1=O 18185033 VYLZXSPLDDPYPW-UHFFFAOYSA-N 364.445 3.916 0 40 FHAB COc1ccc(/C=C2/N=C(c3ccc(OC(C)C)cc3)OC2=O)cc1OC 96635156 MUXLUJKFQNOUQP-GZTJUZNOSA-N 367.401 3.836 0 40 FHAB C[C@@H](NC(=O)COc1cccc(F)c1)c1nc2ccccc2n1C(F)F 9757910 OCRTUACJUHAMAG-LLVKDONJSA-N 363.339 3.827 0 40 FHAB CCNC(=O)NC(=O)[C@H](C)Sc1ccc(Cl)c(C(F)(F)F)c1 9790820 BDPQXJJRCPPBOI-ZETCQYMHSA-N 354.781 3.685 0 40 FHAB CCOc1ncc(C(=O)N[C@H]2C[C@@H](OCC)C23CCCC3)cc1Cl 72303470 VMBOHZZDWXVSEU-LSDHHAIUSA-N 352.862 3.601 0 40 FHAB O=C(Nc1ccc(Cl)cc1)C(=O)N1CCSC[C@@H]1c1ccccc1 97002068 KTPFUPUOKNCCKN-MRXNPFEDSA-N 360.866 3.595 0 40 FHAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(CC)cc1)cn2C 22237168 XUVRITBJTKJEMW-UHFFFAOYSA-N 350.418 3.752 0 40 FHAB COC(=O)c1oc([C@H](C)N(C)[C@@H]2CCCN(c3ccccc3)C2=O)cc1C 95432496 GKNGYHBBIWEPBN-DOTOQJQBSA-N 370.449 3.563 0 40 FHAB COC(=O)[C@H](Cc1ccco1)C(=O)NCC1(c2cccc(C)c2)CCCC1 95466084 PMXLUKDHENQJIY-LJQANCHMSA-N 369.461 3.548 0 40 FHAB NC1=Nc2nc3ccccc3n2[C@H](c2ccc(-c3c(F)cccc3F)o2)N1 95959889 BEJHVMGOMWKLKQ-QGZVFWFLSA-N 365.343 3.671 0 40 FHAB C=CC(=O)Nc1cccc(C(=O)N2CCS[C@@H](c3ccccc3)C2)c1 1557378895 BCKBVSVXGIOJFU-GOSISDBHSA-N 352.459 3.741 0 40 FHAB O=C(CNCCC1=CCCCC1)Nc1ccc(C(=O)N2CCCCC2)cc1 35311557 FQUWQGDAOJXHIF-UHFFFAOYSA-N 369.509 3.731 0 40 FHAB C[C@H]1CCCC[C@H]1OCCNC(=O)NCc1ccccc1OC(F)(F)F 503149828 LVAGTGYYLRFMKN-DZGCQCFKSA-N 374.403 3.980 0 40 FHAB CCc1ccccc1O[C@@H](C)C(=O)N(C)Cc1nc(-c2cccs2)no1 219297354 GTTRBBLZZQXDJV-ZDUSSCGKSA-N 371.462 3.786 0 40 FHAB COc1coc(C(=O)N[C@@H]2CCCc3c2[nH]c2c(Cl)cccc32)cc1=O 524733774 OCDQOCQYVYSBJL-CYBMUJFWSA-N 372.808 3.591 0 40 FHAB O=S(=O)(Nc1ccc2c3c(cccc13)CC2)c1ccc2c(c1)OCCO2 39536387 NKPHXNJDGUPSSN-UHFFFAOYSA-N 367.426 3.510 0 40 FHAB O=C(c1cc[nH]n1)N1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 72359696 ZUXWFUCVBLZPGM-UHFFFAOYSA-N 367.840 3.540 0 40 FHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(SC)cc2)cc1C 30320233 WFBFXVNWSBUJNL-UHFFFAOYSA-N 351.493 3.546 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cc(N3CCCC3)ccn2)cc1Cl 561339152 WWWZQMPBDLHMJW-UHFFFAOYSA-N 358.829 3.546 0 40 FHAB COc1ccc(-c2[nH]ncc2C(=O)NCc2ccccc2Cl)cc1OC 72329273 JGPQLSBMLLFMRX-UHFFFAOYSA-N 371.824 3.677 0 40 FHAB Nc1cc(Cl)c(NC(=O)c2ccccc2Cl)cc1N1CCOCC1 72229217 AOBBEWPIZWNBDC-UHFFFAOYSA-N 366.248 3.665 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCCN1CCCc2ccccc21 219329735 GXGOHXPYACZBGX-NRFANRHFSA-N 370.468 3.942 0 40 FHAB CCOc1ccccc1NC(=S)NCc1ccc(OC)c(OCC)c1 225770152 LOQRRBSHFMREHB-UHFFFAOYSA-N 360.479 3.979 0 40 FHAB COc1ccc(-c2nnc(NC(=O)/C=C/c3ccccc3OC)s2)cc1 225513636 GMIORKJGYZWNQP-FMIVXFBMSA-N 367.430 3.874 0 40 FHAB O=C(Nc1ccccc1)Nc1ccc(C(=O)N[C@H]2CC23CCOCC3)cc1 575883946 QWZLTBNBXUUAPE-SFHVURJKSA-N 365.433 3.630 0 40 FHAB Cc1cccc(CN(C(=O)Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 222713172 ISVUVGLEZQUNIS-SFHVURJKSA-N 366.505 3.870 0 40 FHAB Cc1cn2c(CN(C)C(=O)[C@@H]3CCCc4c(O)cccc43)c(C)nc2s1 190904520 NZLSUTAIXZHEED-MRXNPFEDSA-N 369.490 3.797 0 40 FHAB COc1ccc(COC(=O)c2snnc2-c2ccc(OC)cc2)cc1 223837985 WFFLKKMGTPXHLJ-UHFFFAOYSA-N 356.403 3.579 0 40 FHAB Cc1ccc(C(=O)N[C@H](C)C(C)C)cc1S(=O)(=O)Nc1ccccc1 225199801 NKMQFRHGJCRZQX-OAHLLOKOSA-N 360.479 3.570 0 40 FHAB COc1ccc2nc(N3CCC(C(=O)Nc4cccnc4)CC3)sc2c1 85474004 DRTKPDKMDKSVCG-UHFFFAOYSA-N 368.462 3.555 0 40 FHAB COCCn1cc(CC(=O)Nc2ccc3ccn(C)c3c2)c2ccccc21 95479695 ZHYLPSVGVBTQKE-UHFFFAOYSA-N 361.445 3.961 0 40 FHAB Cc1cc(C)cc(C(=O)N2CCC3(CC2)CO[C@@H](COCC2CC2)C3)c1 96106000 WGQHHONNABRAEV-HXUWFJFHSA-N 357.494 3.741 0 40 FHAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(C(=O)OC)cc1 4135322 XVYKOIQKXIGKTN-UHFFFAOYSA-N 367.357 3.648 0 40 FHAB CC(C)[C@H](NC(=O)[C@H]1C[C@H]2C=C[C@H]1C21CC1)c1ccc2c(c1)OCCO2 248246227 QKFWZDWPAMAVGJ-YZLZLFLDSA-N 353.462 3.873 0 40 FHAB O=C(O)[C@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Br)cc1 248081501 PPNBMQUTFASJPB-IRXDYDNUSA-N 360.251 3.749 0 40 FHAB O=C(N1CC[C@H](c2noc(-c3cccs3)n2)C1)C1(c2ccccc2)CC1 245026567 NALRVEUIXOYVQS-AWEZNQCLSA-N 365.458 3.846 0 40 FHAB COC(C)(C)C(=O)N1CCC2(CC1)Oc1cc(C)ccc1[C@H]1OCCC[C@@H]12 257325431 WSXNBFXJIRHWEB-PKOBYXMFSA-N 373.493 3.641 0 40 FHAB Cc1cc2c(c(=O)n1Cc1ccncc1)C=C1COc3ccccc3[C@@H]1O2 257286117 PKIXBDADAQCNKN-OAQYLSRUSA-N 358.397 3.510 0 40 FHAB O=C(O)CN(Cc1ccc(F)cc1)C1CCN(c2ccc(F)cc2)CC1 257220777 DMCDBYCFEGNTAF-UHFFFAOYSA-N 360.404 3.520 0 40 FHAB COc1ccc(CCC(=O)Nc2ccccc2Cc2nc(C)no2)cc1 96097056 PDCNUTPCZWXCGU-UHFFFAOYSA-N 351.406 3.549 0 40 FHAB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1noc2c1CCCC2 56307204 UKLDETCAGLEPPP-UHFFFAOYSA-N 359.813 3.586 0 40 FHAB CCCSCC(=O)Nc1ccccc1NS(=O)(=O)c1cccs1 56886158 UBDZMWZZRJXCRG-UHFFFAOYSA-N 370.521 3.631 0 40 FHAB CCOc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(F)cc3)no2)cc1 58166325 YFXOKNLDSFFEJO-LBPRGKRZSA-N 355.369 3.765 0 40 FHAB O=C([C@@H]1COc2ccc(Br)cc21)N(CC1CC1)c1cccnc1 95976242 CSNLRGXNQPITAZ-MRXNPFEDSA-N 373.250 3.763 0 40 FHAB COC(=O)c1c(NS(=O)(=O)c2ccc(C)cc2)sc2c1CCCC2 5260142 POMIKLUUUDFUPM-UHFFFAOYSA-N 365.476 3.523 0 40 FHAB CCOc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(C)cc3)no2)cc1 13495214 BRDWGZCVXOGRNL-CQSZACIVSA-N 351.406 3.935 0 40 FHAB C[C@H](C(=O)Nc1ccc(Cl)cn1)N(C)CCOc1ccc(Cl)cc1 14124645 GLOJOIKNGYODFE-GFCCVEGCSA-N 368.264 3.726 0 40 FHAB O=C(OCc1nc2ccccc2n1C(F)F)c1ccc(-n2cccn2)cc1 14902868 RKOCUFYDQOFDQG-UHFFFAOYSA-N 368.343 3.974 0 40 FHAB Cc1ccc(-c2nnc(C3CCN(C(=O)c4cccc(F)c4)CC3)o2)cn1 19215247 JEVSEHYYRLEVEH-UHFFFAOYSA-N 366.396 3.599 0 40 FHAB Fc1ccc(CN(Cc2ccnn2[C@@H]2CCCCO2)C[C@H]2CCCO2)cc1 19333681 ZHMOEUXCENPZSA-RTWAWAEBSA-N 373.472 3.903 0 40 FHAB CC1(C)C[C@H](CC(=O)N[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)C(=O)O1 19460983 OSNAZHAXKSTPIM-TXTPUJOMSA-N 355.478 3.807 0 40 FHAB CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC1CCC(C2CCCCC2)CC1 1658064275 DOHILROMTWFPFQ-ZUPWUQBJSA-N 370.603 3.823 0 40 FHAB CCOc1c(Br)cc(Cl)cc1NC(=O)C1CCOCC1 22312448 SEIGPKZZFCMRQE-UHFFFAOYSA-N 362.651 3.866 0 40 FHAB C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1cc(=O)n2cc(Cl)ccc2n1 23668270 JLPKQZXURMRELX-NSHDSACASA-N 363.795 3.819 0 40 FHAB O=C1C[C@]2(CCCN(CCc3ccccc3)CC2)Nc2ccccc2CN1 2037978216 IVLCOIWHFNZDHO-HSZRJFAPSA-N 363.505 3.586 0 40 FHAB O=C(NCC[C@H]1CC[C@H](C(F)(F)F)O1)c1cc(Br)cs1 1133340078 PGRGXDFHMVKKSQ-PSASIEDQSA-N 372.206 3.740 0 40 FHAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3)cc2)C1 3480958 OYHYENMRXKPTKK-HOTGVXAUSA-N 372.490 3.606 0 40 FHAB Cc1ccc(C)c2[nH]c(=O)c(CCNC(=S)Nc3ccc(F)cc3)cc12 4033715 AUNWUPAXEIEGIZ-UHFFFAOYSA-N 369.465 3.813 0 40 FHAB Cc1ccc(NC(=O)c2cccn(Cc3ccccc3F)c2=O)cc1F 5270432 PWFDCYSOLFKIMX-UHFFFAOYSA-N 354.356 3.736 0 40 FHAB CN1C(=O)CCc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc21 9828248 ANLPBDFLKVZHOJ-UHFFFAOYSA-N 366.442 3.550 0 40 FHAB Cc1cc(-c2nnc(NC(=O)c3ccc(-c4ccccc4)cc3)o2)nn1C 11693813 MTVIUZWMRQVXSZ-UHFFFAOYSA-N 359.389 3.698 0 40 FHAB Nc1nc2c(s1)[C@H](c1ccc(OCCc3ccccc3)cc1)CC(=O)N2 12376330 CSAOMNSEHFNILS-INIZCTEOSA-N 365.458 3.821 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2ccccc2)cc1 15390869 NXNOXGRYTOQRQU-SFHVURJKSA-N 372.490 3.567 0 40 FHAB Cc1nn(CCNC(=O)CSc2ccc(F)cc2)c(C)c1-c1ccco1 575616147 WYFDZYZZEBJJQY-UHFFFAOYSA-N 373.453 3.808 0 40 FHAB Cc1cc(CN2CCC(COc3cccc(C(F)(F)F)n3)CC2)on1 585532945 YPLRNOPDPMJSTK-UHFFFAOYSA-N 355.360 3.688 0 40 FHAB O=C(COc1ccc2ccccc2c1)NCC[C@@H](CCO)c1cccs1 575607470 LZCMLXGHRCVIFX-KRWDZBQOSA-N 369.486 3.953 0 40 FHAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(OCc2ccccc2)no1 85558534 PIUPIFGAJFFOIW-UHFFFAOYSA-N 352.434 3.952 0 40 FHAB C[C@H](NC(=O)c1cc2ccccc2s1)c1cccc(NS(C)(=O)=O)c1 40090104 QNTRNEMPHKZMRY-LBPRGKRZSA-N 374.487 3.764 0 40 FHAB O=C(c1ccc(-c2cnco2)cc1)N1CCC([C@H](O)c2ccccc2)CC1 40151818 OHSHACIYOMUJPY-OAQYLSRUSA-N 362.429 3.927 0 40 FHAB C[C@H]1CN([C@@H](CNC(=O)CC(C)(C)C)c2c(F)cccc2Cl)CCO1 40106859 MXNJTCFRMMCIRH-BBRMVZONSA-N 370.896 3.793 0 40 FHAB CCOc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)cc1 30505261 MQKVNWHGQFCVBT-INIZCTEOSA-N 351.493 3.981 0 40 FHAB O=C1C[C@@H](c2ccccc2)Cc2c1cnc1[nH]n(-c3ccccc3)c(=O)c21 100130355 FBLFVABZKQPNEV-HNNXBMFYSA-N 355.397 3.627 0 40 FHAB O=C(Cc1ccc(N2CCCC2=O)cc1)N1CC=C(c2ccccc2)CC1 31109892 YCCUBCRMNROMEV-UHFFFAOYSA-N 360.457 3.672 0 40 FHAB CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cc(Cl)ccc2F)C1 50734337 OUJFBWORAKSKHG-STQMWFEESA-N 354.853 3.636 0 40 FHAB Cc1nc(SCC(=O)NCCSc2ccccc2)n(C2CC2)c1C 32810110 YGEUEYCDSJUVGD-UHFFFAOYSA-N 361.536 3.835 0 40 FHAB CCCCOCCCNC(=O)c1nccnc1-c1nc2ccccc2s1 21707002 JHMYJGSGBLMOCM-UHFFFAOYSA-N 370.478 3.690 0 40 FHAB CCC[C@H](C)NC(=O)CSc1nnc(Nc2ccc(C)cc2)s1 2640887 DYYYWTDDSRWMLL-LBPRGKRZSA-N 350.513 3.987 0 40 FHAB COC(=O)C1(NC(=O)c2sc(-c3ccc(C)o3)nc2C)CCCCC1 33164691 UXKAGXPWWYRQFE-UHFFFAOYSA-N 362.451 3.626 0 40 FHAB Cc1ccccc1NC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 17986590 ZGXGDJRXRSAOTE-HDICACEKSA-N 362.429 3.927 0 40 FHAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCO3)c2C(N)=O)C1 2742521 IZFRUQUJFVCGJO-DGCLKSJQSA-N 364.511 3.506 0 40 FHAB O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)Nc1ccc(F)cc1 886850 ABNXHOMDOFZLTP-UHFFFAOYSA-N 371.372 3.515 0 40 FHAB COc1ccccc1[C@H]1CC(c2ccccc2)=NN1C(=O)CCCC(=O)O 907711 XNAGMJUKODEKFT-GOSISDBHSA-N 366.417 3.628 0 40 FHAB O=C(NCc1cccs1)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 1379861 JRFUNHYQICUOSJ-HNNXBMFYSA-N 363.870 3.714 0 40 FHAB Cn1c(=O)oc2cc(C(=S)N3CCC(Cc4ccccc4)CC3)ccc21 1652419 CNJQSZMKUAUENY-UHFFFAOYSA-N 366.486 3.762 0 40 FHAB C[C@H]1[C@@H](C)Sc2ccccc2N1S(=O)(=O)c1c[nH]c2ncccc12 79105639 GWSDNYIGHBQIQW-NWDGAFQWSA-N 359.476 3.641 0 40 FHAB Cc1nc(NCCNC(=O)c2ccccc2)c2c3c(sc2n1)CCCC3 4848558 KXAUEYHSQKRJFR-UHFFFAOYSA-N 366.490 3.720 0 40 FHAB COC(=O)C[C@H](NC(=O)CCC(=O)c1cc(C)ccc1C)c1cccs1 22502477 LQMATOHDSQJKET-INIZCTEOSA-N 373.474 3.748 0 40 FHAB CCOc1ccccc1CCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 10110853 VLJGOUKBENRTAC-OUKQBFOZSA-N 354.406 3.756 0 40 FHAB C[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 10764458 MZKHNRBGMMSTOG-ZDUSSCGKSA-N 365.882 3.554 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)c(Cl)c1Cl 8115711 ZONGNDGZVNSAHH-UHFFFAOYSA-N 350.198 3.942 0 40 FHAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cc(C(=O)OC)ccc1C 8480450 QPYFTGHOSCNSNY-MRXNPFEDSA-N 357.406 3.586 0 40 FHAB Clc1ccc(CN2CCN(Cc3ccc(-n4cccn4)cc3)CC2)cc1 23248580 KXRMFGCJHIPXIN-UHFFFAOYSA-N 366.896 3.844 0 40 FHAB CCc1ccccc1NC1=C(Cl)C(=O)N(c2ccccc2OC)C1=O 939227 YUWDZBQTLGDMNW-UHFFFAOYSA-N 356.809 3.693 0 40 FHAB O=C(O)COc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1 942831 YRVYSMBWCXFANU-UHFFFAOYSA-N 353.355 3.533 0 40 FHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 20043739 GHYZVIPSJIKEHT-KBXCAEBGSA-N 373.449 3.747 0 40 FHAB C[C@@H](Sc1nncs1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 55016211 PFOXECYLTQSXHL-RNCFNFMXSA-N 353.900 3.940 0 40 FHAB COc1ccccc1N1CCN([C@H](C)c2nnc(-c3ccccc3)o2)CC1 12542382 SCMLQHBQRLAQKY-MRXNPFEDSA-N 364.449 3.628 0 40 FHAB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCCc1cccs1 24944685 QIBHUUIEWDCSPM-UHFFFAOYSA-N 369.490 3.745 0 40 FHAB Cc1nc(CSc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cs1 24983759 CYHIFJICKKBHRM-BETUJISGSA-N 362.520 3.993 0 40 FHAB O=C(CCc1nc(=O)c2ccccc2[nH]1)Nc1ccc(Cl)c(Cl)c1 12514908 FWZPTMOWVCUAAD-UHFFFAOYSA-N 362.216 3.801 0 40 FHAB COC(=O)c1ccc(-c2ccc(CN[C@@H](C)[C@H](O)c3ccccc3)o2)cc1 22076847 SWLUUPYQFONYSZ-BTYIYWSLSA-N 365.429 3.945 0 40 FHAB O=C(OCC(=O)N(CCc1ccccc1)Cc1ccccc1)c1cccnc1 3234209 APPVJWLMIGULIY-UHFFFAOYSA-N 374.440 3.510 0 40 FHAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc3c(c2)OCCCO3)cc1 27222703 UJKSKPNRWIEECT-UHFFFAOYSA-N 368.433 3.582 0 40 FHAB Cc1ccc(C(=O)Nc2ccnn2Cc2cccc(Br)c2)o1 58018163 IFOXRWLIOALMAS-UHFFFAOYSA-N 360.211 3.848 0 40 FHAB OCCCc1nc2ccccc2n1C[C@H](O)c1ccccc1C(F)(F)F 58160922 HHDOTQJHDAWDFD-KRWDZBQOSA-N 364.367 3.714 0 40 FHAB Cc1cccc(S(=O)(=O)Nc2ccc(Sc3nncs3)cc2)c1 58191551 GOLTXFQLAIIZPO-UHFFFAOYSA-N 363.489 3.799 0 40 FHAB CC1CCC(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 12604764 UCJMPCBDMJCPJJ-UHFFFAOYSA-N 372.490 3.796 0 40 FHAB Cc1nc(C(C)(C)C)nc2sc(C(=O)Nc3ncccc3O)c(C)c12 12788803 ULNPQMZXHOXNKN-UHFFFAOYSA-N 356.451 3.959 0 40 FHAB CCOc1ccc2c(c1)CN(C(=O)Nc1ccc3c(c1)CCC(=O)N3)CC2 58420021 MBDUREWTHHBMFJ-UHFFFAOYSA-N 365.433 3.560 0 40 FHAB CC(=O)Nc1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 58414069 SKILJNBZWHSTNR-UHFFFAOYSA-N 372.856 3.653 0 40 FHAB O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1cnccn1 12773439 HBKHTSIQWZHNLD-UHFFFAOYSA-N 364.352 3.795 0 40 FHAB CC(=O)Nc1ccc(NC(=O)CCc2nc(-c3cccc(C)c3)no2)cc1 2345059 SRHGJBQYPVJPHF-UHFFFAOYSA-N 364.405 3.575 0 40 FHAB CC(C)Sc1nc(NC[C@@H](C)O)c2c3c(sc2n1)COC(C)(C)C3 2412377 QLRCXOXOVBQTDK-SNVBAGLBSA-N 367.540 3.836 0 40 FHAB O=C(N[C@@H]1CCCc2ccccc21)c1ccn(COc2ccc(F)cc2)n1 27972440 KOHBSOLQIXGYOR-LJQANCHMSA-N 365.408 3.866 0 40 FHAB COc1cc(CNC(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)ccc1O 45612549 HQLBLTLAXDMTIY-OAHLLOKOSA-N 358.438 3.815 0 40 FHAB Cc1cccc(OCCNC(=O)CNc2ccc(F)c(C(F)(F)F)c2)c1 60160139 RVBQTETXYKRYMH-UHFFFAOYSA-N 370.346 3.760 0 40 FHAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCO[C@@H](c2ccc(F)cc2)C1 29657532 CJUJUTJNKFRJPC-VBKZILBWSA-N 352.409 3.952 0 40 FHAB CCN(Cc1ccccc1NS(=O)(=O)/C=C/c1ccc(C)cc1)C(C)=O 48355357 ZOAJNZILHDWAEF-BUHFOSPRSA-N 372.490 3.776 0 40 FHAB C[C@@H](NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1ccco1 8709166 KCWJSLQZIJPWKI-YMTOWFKASA-N 350.827 3.613 0 40 FHAB COc1ccc(-c2nn(CN3CCc4sccc4C3)c(=S)[nH]2)cc1 12931678 UGGLILPTUHXEQB-UHFFFAOYSA-N 358.492 3.694 0 40 FHAB CC(C)CCNC(=O)NC(=O)CSC1=Nc2ccccc2CS1 12995276 QDYZNBGJJABKHP-UHFFFAOYSA-N 351.497 3.526 0 40 FHAB C[C@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccccn1 8707373 ZTPABQPRYVVUOB-ZDUSSCGKSA-N 351.431 3.886 0 40 FHAB Cc1nn(CCC(=O)Oc2ccc(Cl)cc2)c(C)c1Br 13568785 IHZXFLRFIUSTQU-UHFFFAOYSA-N 357.635 3.912 0 40 FHAB CC(=O)c1ccc(NC(=S)Nc2ccc(N3CCOCC3)cc2)cc1 13684451 NYIJAQVRSACGPI-UHFFFAOYSA-N 355.463 3.535 0 40 FHAB Fc1ccc(-n2ncc3c2ncn2nc(-c4cccc(Cl)c4)nc32)cc1 5253008 SDGSUULQLNEHFC-UHFFFAOYSA-N 364.771 3.923 0 40 FHAB CC(C)CN1CCC(NC(=O)[C@H](Oc2ccc(F)cc2F)C(C)C)CC1 65493054 FCKZHGRTDKRQOU-LJQANCHMSA-N 368.468 3.605 0 40 FHAB CN(C(=O)COc1ccccc1C(=O)Nc1ccccc1)c1ccccc1 6461085 JPTKJAMWTQBPHD-UHFFFAOYSA-N 360.413 3.981 0 40 FHAB O=C1CCC(=O)N1c1cc(-c2c[nH]c3ccccc23)n(-c2ccccc2)n1 4545570 SEJCKOWNHNHXPK-UHFFFAOYSA-N 356.385 3.674 0 40 FHAB O=C(CCC(=O)NC1CCCCCCCCCCC1)NC[C@H]1CCCO1 4678999 LACXGVDGGMHJMM-LJQANCHMSA-N 366.546 3.851 0 40 FHAB CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc(Cl)cc1 4615816 KXFGEZHTFHLIFV-QGZVFWFLSA-N 372.877 3.833 0 40 FHAB CCS(=O)(=O)N1c2ccc(C(=O)Nc3c(C)cccc3C)cc2C[C@@H]1C 20448973 VJRUVRUSDOBIFD-HNNXBMFYSA-N 372.490 3.656 0 40 FHAB CCCCCn1c(O)c(C(=O)Nc2ccccn2)c(=O)c2ccccc21 5694858 LENKWPZIBUKBMK-UHFFFAOYSA-N 351.406 3.545 0 40 FHAB CC(C)N(Cc1ccccc1)C(=S)NC(=O)[C@@]1(C)CC1(Cl)Cl 5783366 VUCVUPDIZISQBT-OAHLLOKOSA-N 359.322 3.882 0 40 FHAB COc1ccc(CNC(=O)c2cc3ccccc3cc2OC)cc1OC 6852843 LMARAFWUVUSQCN-UHFFFAOYSA-N 351.402 3.796 0 40 FHAB Cc1nc2ccc(NC(=O)c3nc(C)n(-c4ccc(F)cc4)n3)cc2s1 15240116 PDJSJAGTHYNKHE-UHFFFAOYSA-N 367.409 3.885 0 40 FHAB COc1ccccc1-n1cnnc1SCc1ccc(-n2cccn2)cc1 7114312 NXHBUEIZDRUFLP-UHFFFAOYSA-N 363.446 3.754 0 40 FHAB NC(=O)c1ccc(NC(=O)CCc2ccc(-c3ccc(F)cc3)o2)cc1 15867419 STPSKPUFCOQJBB-UHFFFAOYSA-N 352.365 3.756 0 40 FHAB CCC(=O)N(c1nnc(SCC(=O)c2ccc(C)s2)s1)C1CC1 7673076 PTSWNPUVVZMCLS-UHFFFAOYSA-N 367.521 3.788 0 40 FHAB COc1cccc([C@@H](NC(=O)Nc2cccc(C)c2)c2nccn2C)c1 9314246 UWBMWWOHJJVJOA-GOSISDBHSA-N 350.422 3.648 0 40 FHAB CCn1nnc2cc(C(=O)OCc3cc(-c4cccs4)on3)ccc21 7814973 YYODJEASXOFCOF-UHFFFAOYSA-N 354.391 3.525 0 40 FHAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)[C@H]1Cc2ccccc2O1 9494178 JGKQXGYYIZHRTL-QGZVFWFLSA-N 354.406 3.815 0 40 FHAB Cc1ccc(CN2C(=O)S/C(=C3\C(=O)Nc4ccccc43)C2=O)cc1 409333125 NKUPNWNVGSSFRM-NXVVXOECSA-N 350.399 3.554 0 40 FHAB COC[C@@H](C)NC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 21870762 YDJCFWVWKHSNQL-CQSZACIVSA-N 350.418 3.675 0 40 FHAB CN(c1ccc(-c2csc(Cc3ccccc3)n2)cc1)S(C)(=O)=O 8042420 XLTNWDHSXNGOMY-UHFFFAOYSA-N 358.488 3.797 0 40 FHAB Cc1cccc(OCC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1 8124444 CMLDRIHCNFBPTQ-OAQYLSRUSA-N 355.434 3.659 0 40 FHAB CCc1oc2ccccc2c1/C=C/C(=O)N1CCC[C@H](C2OCCO2)C1 69266512 CIYHXSZGYDOKJI-FEAKQIBJSA-N 355.434 3.620 0 40 FHAB c1coc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCCO3)c1 19891170 YCICJPMNSCVKFU-UHFFFAOYSA-N 370.368 4.000 0 40 FHAB O=C(OCc1cccc2cccnc12)c1ccc(OCC(F)(F)F)nc1 24118518 KMQXULRCQIMYMB-UHFFFAOYSA-N 362.307 3.928 0 40 FHAB Cc1cc2occ(CC(=O)NCCC(=O)Nc3ccccc3)c2cc1C 72427675 YGACXWVEZUJMLJ-UHFFFAOYSA-N 350.418 3.737 0 40 FHAB Cn1c([C@H]2CCCN2C(=O)c2cc(F)c(O)c(F)c2)nc2ccccc21 95406707 UGXAIWUUWYLEHT-MRXNPFEDSA-N 357.360 3.534 0 40 FHAB CSCCSc1nnc(N2CCC(C)CC2)n1Cc1ccco1 89929996 JYKZLOIBHJAMRI-UHFFFAOYSA-N 352.529 3.611 0 40 FHAB CC(C)c1ccc(-c2noc(Cn3cc(C(N)=O)c4ccccc43)n2)cc1 546232677 GREVHXPVKSQKHE-UHFFFAOYSA-N 360.417 3.962 0 40 FHAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccco2)C1=O 409170965 YLSBCHIKAKRGGN-NTEUORMPSA-N 356.403 3.571 0 40 FHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C)ccc21 64947118 AHONEOUTWGYRLO-UHFFFAOYSA-N 362.476 3.582 0 40 FHAB COc1ccc(CN2C[C@H]3CCC[C@](O)(c4ccccc4OC)[C@@H]3C2)cc1 72340973 HPMXDWWNRHTGIO-AAIMPIBUSA-N 367.489 3.824 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)C2(c3ccccc3)CCOCC2)c1 32712946 LNJOGXBBTWCVOS-INIZCTEOSA-N 369.461 3.629 0 40 FHAB O=C(NCCOc1ccccc1)NC[C@@H](c1ccsc1)c1ccco1 675008030 PCERAZHLHIYCEZ-KRWDZBQOSA-N 356.447 3.851 0 40 FHAB O=C(c1cc(-c2cccnc2)on1)N1CCS[C@@H](c2ccco2)CC1 219413361 PLEDHRSWEZRRBX-QGZVFWFLSA-N 355.419 3.650 0 40 FHAB CC[C@@H](Oc1ccccc1C)C(=O)N(C)Cc1nc(-c2ccccc2)no1 219315830 WHFJFUDJXBLJTR-QGZVFWFLSA-N 365.433 3.861 0 40 FHAB Cc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1)c1c(c3ccccc3sc1=O)O2 72408130 WTDDWDYBOHJRDP-HNNXBMFYSA-N 374.421 3.939 0 40 FHAB O=C(O)[C@H]1CCCN(c2cc(Nc3cccc(C(F)(F)F)c3)ncn2)C1 217361909 CFOJNIYICVGSIX-NSHDSACASA-N 366.343 3.540 0 40 FHAB Cc1ccnc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)c1 36611689 RYQMNPWWLWFNKW-UHFFFAOYSA-N 357.417 3.993 0 40 FHAB COc1cccc2c1N(C(=O)c1cc(C)nc3c1cnn3C(C)C)CCC2 48234714 LMNKQJBCRHUTDU-UHFFFAOYSA-N 364.449 3.922 0 40 FHAB COc1cc(CNC(=O)c2cccnc2S)ccc1OCCC(C)C 40112710 BDMUXKHTKGRYSW-UHFFFAOYSA-N 360.479 3.734 0 40 FHAB O=C(Nc1nn2c(-c3cccc(Cl)c3)nnc2s1)c1cccc(F)c1 41108767 KMAZPZVKBLCSTF-UHFFFAOYSA-N 373.800 3.898 0 40 FHAB O[C@@H](CNC[C@H]1CCOC2(CCC2)C1)Cc1ccc(C(F)(F)F)cc1 570082600 OPLVPBVXQZDQAK-DOTOQJQBSA-N 357.416 3.548 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 223770519 ABZVOCJOQVJXIR-INIZCTEOSA-N 372.896 3.744 0 40 FHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 225010696 ATXRRXJQVMSPDE-IRXDYDNUSA-N 370.468 3.700 0 40 FHAB O=C(O)C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1Cc1nc2ccccc2[nH]1 514290215 VDHUJVZUQYFSNX-ROUUACIJSA-N 363.461 3.718 0 40 FHAB biogenic,in-vitro Cn1nccc1-c1ccccc1CN1CCC[C@H](c2nnc3ccccn23)C1 572787283 HRGREKDVWOZEOI-SFHVURJKSA-N 372.476 3.509 0 40 FHAB CCOC(=O)c1cc(NC(=O)[C@@](C)(OC)C2CC2)ccc1O[C@@H](C)CC 225812289 FYUXEAINONANOO-RBZFPXEDSA-N 363.454 3.794 0 40 FHAB Fc1cnc(Cl)nc1Oc1ccc(I)cc1 85754781 PSRYUGKDGUPDNL-UHFFFAOYSA-N 350.518 3.666 0 40 FHAB CSc1ccc(S(=O)(=O)Nc2ccccc2)cc1NC(=O)C(C)C 223636415 XLUWZMDLMYUXFM-UHFFFAOYSA-N 364.492 3.804 0 40 FHAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344998 FFMUFXUJFDUASY-QLFBSQMISA-N 358.265 3.801 0 40 FHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3c(C)cc(C)cc3C)c(C)cc21 223357955 JBYUZQMARSETOD-UHFFFAOYSA-N 374.462 3.649 0 40 FHAB CC[C@H](C)N[C@@H]1CC2(CCN(c3ncccn3)CC2)Oc2ccccc21 96242792 GAIUIXIDXPVBKL-FUHWJXTLSA-N 352.482 3.728 0 40 FHAB C[C@@H](NC(=O)NC(C)(C)C)c1onc(-c2ccc(Cl)cc2)c1C(=O)O 96297070 RBHSFBOEERJWDB-SECBINFHSA-N 365.817 3.852 0 40 FHAB biogenic,in-vitro COCCn1ccc2ccc(C(=O)N3CCO[C@@H](c4ccccc4)C3)cc21 95476216 KJDRAGYZXBGLBA-OAQYLSRUSA-N 364.445 3.501 0 40 FHAB CCOc1ccc([C@@H](N)c2n[nH]c(-c3ccc(C)cc3)n2)cc1OCC 95534599 SXSBMTJOLFEANP-GOSISDBHSA-N 352.438 3.626 0 40 FHAB Cc1cccc2nc(C(=O)N3C[C@H]4[C@@H](Oc5ccccc5)CC[C@H]4C3)cn12 257307323 SYESDLCSXXZCGF-HQRMLTQVSA-N 361.445 3.572 0 40 FHAB O=C(Cc1coc2ccccc12)NC1(c2ccc(F)cc2)CCOCC1 585081652 APQBPFGRMFQXHY-UHFFFAOYSA-N 353.393 3.937 0 40 FHAB Cc1cc(-c2nc(C)c[nH]2)nc(C2CCN(C(=O)C3CCCCC3)CC2)n1 257314359 UWPQZHOAZMRNSE-UHFFFAOYSA-N 367.497 3.770 0 40 FHAB O=S(=O)(N1CCC2(CCCCC2)CC1)N1CC[C@@H]1c1cccc(F)c1 675756263 MALKBLQKSRPMMD-GOSISDBHSA-N 366.502 3.864 0 40 FHAB O=C(Nc1cnc2c(F)cccc2c1)c1ccc(N2CCOC2=O)cc1 1645071740 YGZGSEVUWRNGMC-UHFFFAOYSA-N 351.337 3.583 0 40 FHAB O=C(Nc1ccc2cc[nH]c2c1)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 1117555585 XADRKKIWWFKBCO-OAQYLSRUSA-N 367.424 3.766 0 40 FHAB CO[C@H](CNC(=O)c1cc(-c2ccc(F)cc2)nn1C)c1ccc(C)s1 96104752 DISLYWQGDPOMFR-QGZVFWFLSA-N 373.453 3.714 0 40 FHAB O=C(O)[C@@H](c1ccccc1F)N1CCC[C@@H](c2nc3ccccc3o2)C1 652386735 GYPWCBHLSLPEQR-FZKQIMNGSA-N 354.381 3.972 0 40 FHAB O=C(CCC1CCCC1)OCc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 58023030 FUNAHHRSNBKVBX-UHFFFAOYSA-N 368.355 3.956 0 40 FHAB Cc1csc(C(=O)N2CCC(COc3cc4c(nn3)CCCC4)CC2)c1 1565522773 PGGZNLFPIFKPLM-UHFFFAOYSA-N 371.506 3.657 0 40 FHAB C[C@@H](NC(=S)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(C)(C)C 5570365 SWQGGJVMIAVVDP-SECBINFHSA-N 368.446 3.701 0 40 FHAB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3=C(C)C)[C@@H]2C1=O 13750161 QUGHVESQNBDHPS-VZJWBNGJSA-N 365.429 3.546 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc(C)c1 14022920 YYQNQZZPGBNGJQ-LJQANCHMSA-N 354.450 3.931 0 40 FHAB Cc1csc([C@H](Cc2ccsc2)NC(=O)[C@H](C)Cn2ccnc2C)n1 19240115 KPCSDJINZPLHGE-WBMJQRKESA-N 374.535 3.754 0 40 FHAB COCc1ccc(OC)c(CN2[C@H]3CC[C@@H]2c2cnc(C4CC4)nc2C3)c1 19594326 CWSWESUELHYXBG-FXAWDEMLSA-N 365.477 3.771 0 40 FHAB Cc1cc(C)n([C@H](C)C(=O)NCCc2cn(C)c3ccc(Cl)cc23)n1 19660572 FQGWWVPCSFVQTC-CQSZACIVSA-N 358.873 3.565 0 40 FHAB O=C(Cc1ccc(F)cc1)N1CCC(COc2ccncc2Cl)CC1 1889166614 FDRRARBECDDBRA-UHFFFAOYSA-N 362.832 3.734 0 40 FHAB CN(C)C(=O)[C@@H](OC(=O)/C=C/c1cccc2cccnc12)c1ccccc1 14855342 USPNJWVNDSPXBQ-ARKBFRDHSA-N 360.413 3.621 0 40 FHAB Cc1ncnc(OCC2CCN(c3cc(C(F)(F)F)ccn3)CC2)c1C 1565520747 LTZIAHXWSCDVAB-UHFFFAOYSA-N 366.387 3.803 0 40 FHAB CCOc1ccc([C@]2(O)CN(c3cccc(C)c3C)C3=[N+]2CCCC3)cc1 2966258 MDECVIKGSNUKRQ-HSZRJFAPSA-N 365.497 3.962 0 40 FHAB O=C(CSc1nc(-c2ccccc2Cl)ns1)NCc1ccco1 3007344 UTGCBXNFYRRIMV-UHFFFAOYSA-N 365.867 3.860 0 40 FHAB COCCn1c([C@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 7542726 GTAQUZCHWGALLF-AWEZNQCLSA-N 369.852 3.857 0 40 FHAB COc1ccc(N2C[C@H](CNC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 9039106 NFOIMFUFCMEZAZ-ZDUSSCGKSA-N 373.840 3.523 0 40 FHAB O=c1[nH]c(SCc2ccccc2F)nc2c(-c3ccc(F)cc3)cnn12 9106879 OZFNZNRVJTUBLN-UHFFFAOYSA-N 370.384 3.655 0 40 FHAB Nc1nc2c(s1)[C@H](c1cccc(OCc3ccccc3)c1)CC(=O)N2 12376556 LERPZRBSKKNPOP-HNNXBMFYSA-N 351.431 3.778 0 40 FHAB CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC)c(OC)c1)NCC2 20529153 JDGBKYFUXSFRMX-NRFANRHFSA-N 357.450 3.736 0 40 FHAB biogenic CCC(=O)N1CCCc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc21 22502888 ADGHWKXMAFWDKW-UHFFFAOYSA-N 367.405 3.749 0 40 FHAB O=C(NCCC1=CCCCC1)C(=O)NCc1cc(-c2ccco2)cs1 1775968511 OYZZSHGQYPIODA-UHFFFAOYSA-N 358.463 3.631 0 40 FHAB CCOc1ccc(C(=O)N2CCC[C@@H](COc3cccc(C)n3)C2)cc1 1775969250 GCDURFJQLCWFAX-QGZVFWFLSA-N 354.450 3.720 0 40 FHAB CC[C@@H](C)c1ccc(S(=O)(=O)N[C@H](CC(=O)O)c2ccccc2)cc1 940640 SHUXNVFVAPHKMG-RDTXWAMCSA-N 361.463 3.694 0 40 FHAB CCN1C(=O)c2cccc3c(S(=O)(=O)Oc4ccc(C)cc4)ccc1c23 11691615 GEWVLPDTMUAXND-UHFFFAOYSA-N 367.426 3.896 0 40 FHAB Cc1ccnn1-c1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 23740359 CFGIZXQDAGVDRI-QFIPXVFZSA-N 374.488 3.748 0 40 FHAB COc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)c1ccco1 26772130 LBJSBAVMHKMSEJ-NBHGPNQESA-N 355.434 3.797 0 40 FHAB biogenic Cc1c(C(=O)Nc2ccc3[nH]ncc3c2)cnn1-c1cccc(Cl)c1 40070249 PAVSOLYSNJOTHA-UHFFFAOYSA-N 351.797 3.963 0 40 FHAB C[C@H]1CCCCN1C(=O)CN1CCC(C(=O)c2ccc(Cl)cc2)CC1 50071762 HVRJZDHJZQNAEV-HNNXBMFYSA-N 362.901 3.636 0 40 FHAB COC(=O)c1ccc2c(O)nc(CN3CCC[C@H]3c3ccsc3)nc2c1 40154226 RGKOAFUBYULDLX-INIZCTEOSA-N 369.446 3.521 0 40 FHAB O=C(Nc1ccc(F)c(F)c1F)[C@@H]1CC(O)=Nc2nc3ccccc3n21 40288322 YDZOWABPPYKHCD-LBPRGKRZSA-N 360.295 3.625 0 40 FHAB CC[C@H]1CCc2sc(C(=O)O[C@H](C)C(=O)Nc3cc(C)no3)cc2C1 32876063 NRBMBQRJQBBMEO-NEPJUHHUSA-N 362.451 3.743 0 40 FHAB O=C(CS[C@@H]1N=C2C=CC=C[C@H]2O1)c1ccc(Br)cc1 1070084 LBPHRMZUQIYBNE-HUUCEWRRSA-N 350.237 3.614 0 40 FHAB CCOC(=O)c1nc(SC)sc1NC(=O)c1ccc(Cl)cc1 1645487 RQXAKWJEVBGUKO-UHFFFAOYSA-N 356.856 3.947 0 40 FHAB Cc1cc(C)n([C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(=O)n1 1994285 IXONXHBTBJIBNJ-SNVBAGLBSA-N 373.762 3.732 0 40 FHAB Cc1cc(C)nc(Nc2cccc(C(=O)N[C@@H]3CCOC(C)(C)C3)c2)n1 79477545 WDIJEPUYMGKGKQ-QGZVFWFLSA-N 354.454 3.524 0 40 FHAB C[C@H](Sc1nc(C(C)(C)C)n[nH]1)C(=O)Nc1ccc(F)c(F)c1F 12257454 BWQRKRISHBDBFB-ZETCQYMHSA-N 358.389 3.639 0 40 FHAB CCOP(=O)(CNC(=O)COc1ccc(Cl)cc1Cl)OCC 3219069 GXMLRBFGNPYSHH-UHFFFAOYSA-N 370.169 3.712 0 40 FHAB O=C(Nc1ccc(Cl)cc1)Nc1ccc(N2CCCS2(=O)=O)cc1 22505607 RVUTXLARSMSCAE-UHFFFAOYSA-N 365.842 3.524 0 40 FHAB Cc1ccc(-c2nnn(CC(=O)Nc3ccc4c(c3)oc3ccccc34)n2)o1 4568707 OWHXIEVISCLYQJ-UHFFFAOYSA-N 373.372 3.780 0 40 FHAB C[C@@H]1CCc2c(sc3nc(C4CC4)n4c(SCC(=O)O)nnc4c23)C1 4848544 DIRXXUJAKUDTFS-MRVPVSSYSA-N 374.491 3.518 0 40 FHAB CCOc1ccc2nc(NC(=O)c3ccc(OC)cc3OC)sc2c1 811148 POMZIUMMHWXNQE-UHFFFAOYSA-N 358.419 3.965 0 40 FHAB CC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 6213769 RYCJNSMAGRYRQX-HNNXBMFYSA-N 360.479 3.633 0 40 FHAB COC(=O)c1ccc(CSc2nnc(-c3ccc(C)cc3)n2C)cc1 10264387 WQBWTDCDFWVTRK-UHFFFAOYSA-N 353.447 3.869 0 40 FHAB CCC(CC)C(=O)N[C@H](C)c1cc(O)n2nc(-c3cccs3)cc2n1 100769317 WVUJQONCPSRILJ-LLVKDONJSA-N 358.467 3.777 0 40 FHAB CCC(=O)NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1 8053496 TZOAYBIMYBQTSP-UHFFFAOYSA-N 367.268 3.610 0 40 FHAB COC(=O)Nc1cccc(NC(=O)NCCc2c[nH]c3ccccc23)c1 47710794 IZQIQCWUIAJUNE-UHFFFAOYSA-N 352.394 3.710 0 40 FHAB CCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)c1ccc2ccccc2c1 54057705 MXGLUMOFUQEJSP-KSSFIOAISA-N 358.507 3.665 0 40 FHAB CCC(=O)Nc1ccc(OCc2nnc3c4ccccc4c(C)nn23)cc1 1431632 ACEABBMTVWQDJR-UHFFFAOYSA-N 361.405 3.513 0 40 FHAB C[C@H](NC(=O)COc1cccc(Br)c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 103075127 FDRDZYSCVFNPHX-VLXAULBPSA-N 352.272 3.769 0 40 FHAB O=C(CCN1CCC(C(=O)c2ccccc2)CC1)Nc1cccc(F)c1 25946752 IXLWDQWFTQZVBJ-UHFFFAOYSA-N 354.425 3.749 0 40 FHAB CC(C)CCn1c(SCC(=O)NC(C)(C)C)nc2ccsc2c1=O 57426063 DUAQPWBASRFZNX-UHFFFAOYSA-N 367.540 3.511 0 40 FHAB O=C1C(Cl)=C(Nc2ccc(Cl)cc2F)C(=O)N1Cc1ccccc1 1907090 SFMDSRFEBAMNJS-UHFFFAOYSA-N 365.191 3.910 0 40 FHAB CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1 108813367 BXSZOOAIWGBIAY-AWEZNQCLSA-N 365.481 3.868 0 40 FHAB O=C1C[C@@H](Nc2ccc(Cl)cc2Cl)C(=O)N1c1cccc(F)c1 101276562 YGVUWSLSYWAJOR-CQSZACIVSA-N 353.180 3.877 0 40 FHAB O=C(CN1CCC[C@@H]1c1ccc[nH]1)N1CCC(Cc2ccccc2)CC1 58084982 ZNDDBKHLNWEOTE-OAQYLSRUSA-N 351.494 3.633 0 40 FHAB O=C(NCc1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12681716 NRPPLWBPAWJBQJ-GOSISDBHSA-N 352.434 3.895 0 40 FHAB CC[C@H](NS(=O)(=O)c1cccc(F)c1)c1nc(-c2ccccc2)c[nH]1 58218024 BJCGGENGRHCRJU-INIZCTEOSA-N 359.426 3.645 0 40 FHAB COc1ccccc1OCc1nn2c(-c3cccc(F)c3)nnc2s1 10311614 URTGBNBEUIJMTA-UHFFFAOYSA-N 356.382 3.580 0 40 FHAB C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 58413035 HDJPORDKTVQRQB-CJNGLKHVSA-N 371.462 3.585 0 40 FHAB O=C(CCc1nnc(-c2ccsc2)o1)Nc1nc2c(s1)CCCC2 12741892 WAQISKKONGQPCA-UHFFFAOYSA-N 360.464 3.705 0 40 FHAB Cc1cc(N[C@@H](C)C(=O)Nc2cc(F)ccc2F)ccc1N1CCCC1=O 10750321 PHLFIOHGTJEPTL-ZDUSSCGKSA-N 373.403 3.839 0 40 FHAB Cc1cc(C)c(N(CC(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)c(C)c1 22379696 FGRPYSMQTANKGC-UHFFFAOYSA-N 374.506 3.633 0 40 FHAB CC(C)NC(=O)Nc1cccc(NC(=O)c2cncn2-c2ccccc2)c1 24545373 ZNHSPSNXJVSBLL-UHFFFAOYSA-N 363.421 3.655 0 40 FHAB O=C1Nc2ccc(S(=O)(=O)Oc3ccc(Cl)cc3)c3cccc1c23 11691634 PPJADXMWLQBCDA-UHFFFAOYSA-N 359.790 3.827 0 40 FHAB Cc1ccc(C)c(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)c1 3309317 FPZUHDKDQFAANW-UHFFFAOYSA-N 350.418 3.899 0 40 FHAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1cc(C)nc2onc(C)c12 48324877 WBXBOCPQEKPPGU-UHFFFAOYSA-N 357.385 3.650 0 40 FHAB CCOc1ccc(C2=Nn3c(Cc4ccccc4)nnc3SC2)cc1 22764593 OWRWMMQSEMCXJN-UHFFFAOYSA-N 350.447 3.626 0 40 FHAB O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1nc(-c2ccccc2)no1 12861401 JEWSQMJMBZHARE-UHFFFAOYSA-N 373.199 3.802 0 40 FHAB CC(C)c1nc(C(=O)N2CCn3cccc3[C@@H]2C)nn1-c1cccc(F)c1 172105929 QNBAXQQLRAYJIS-AWEZNQCLSA-N 367.428 3.548 0 40 FHAB O=C(NC1CCCC1)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 64676653 LSDHNGUFHNDYJK-UHFFFAOYSA-N 367.840 3.655 0 40 FHAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl 64785698 DSAFCKIMONQDDH-GTNSWQLSSA-N 366.244 3.881 0 40 FHAB Cc1ccc2nc(-c3cccc(S(=O)(=O)N4CCC[C@H](C)C4)c3)cn2c1 6163796 NVXUSAIHWGJJDK-HNNXBMFYSA-N 369.490 3.730 0 40 FHAB COc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1F 5148654 QHDUPDVTSHKZDT-UHFFFAOYSA-N 351.761 3.592 0 40 FHAB CC(=O)N1CCC(C(=O)Nc2ccc(SCc3cccnc3)cc2)CC1 9117667 YMRGJMHHZPSRFM-UHFFFAOYSA-N 369.490 3.571 0 40 FHAB C[C@@H](c1ccccc1)N(C)C(=O)CSc1nc(O)c2ccccc2n1 14016389 LDSKKOGHRZJVSA-ZDUSSCGKSA-N 353.447 3.647 0 40 FHAB Cn1nc(C(=O)OCc2ccc(C(C)(C)C)cc2)c2ccccc2c1=O 5415632 LNYMVCPHFIJVQH-UHFFFAOYSA-N 350.418 3.588 0 40 FHAB C[C@@H]1CC(=O)c2cn3nc(SCc4ccccc4Cl)nc3nc2C1 20632287 JOUWGSBHYZAOLF-JTQLQIEISA-N 358.854 3.835 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccncc2)N1Cc1ccco1 5516455 ACVBPJRXKCUJRO-SFHVURJKSA-N 358.353 3.526 0 40 FHAB COc1ccc(CNC(=O)c2nc(SC(C)C)ncc2Cl)cc1 6748069 VIVSZPLNKWKAMN-UHFFFAOYSA-N 351.859 3.569 0 40 FHAB COC(=O)c1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2cccc(C)c2)C(=O)N1 4852843 SEWMNBDHGSRFPY-OXQOHEQNSA-N 352.390 3.551 0 40 FHAB Cc1sc(NC(=O)CC(C)C)nc1-c1ccc2c(c1)NC(=O)[C@@H](C)O2 19796582 KVZLXEGQFHLKGI-SNVBAGLBSA-N 359.451 3.823 0 40 FHAB Cc1nc(C(=O)N(C)[C@H]2CCCc3ccccc32)nn1-c1ccc(F)cc1 15191895 WWWSBBRFDHVRDC-IBGZPJMESA-N 364.424 3.864 0 40 FHAB Cc1cccc(C)c1NC(=O)COC(=O)CCc1c[nH]c2ccccc12 6942515 BSBNCVIVDDLSDZ-UHFFFAOYSA-N 350.418 3.899 0 40 FHAB CCN(CC(=O)NCc1cccs1)C(=O)c1ccc2ccccc2c1 5936589 YLVGKOXCULPJNN-UHFFFAOYSA-N 352.459 3.680 0 40 FHAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(F)cc2Cl)c(OC)c1 7056809 PUKSSBDWZRVJSA-SNVBAGLBSA-N 352.793 3.935 0 40 FHAB COc1cc(COc2ccc(Cl)cc2C(N)=O)ccc1OC(F)F 7022825 GBTJLQHYBWRRNN-UHFFFAOYSA-N 357.740 3.628 0 40 FHAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2cccc(C(=O)NC3CC3)c2)o1 9457705 NTAJJLOROOCDDV-MUCHVSCFSA-N 350.418 3.947 0 40 FHAB COC(=O)c1ccc(-c2ccc(CNC[C@H](O)c3ccccc3)o2)cc1 19872457 IZCMAOLFFOUIRG-IBGZPJMESA-N 351.402 3.556 0 40 FHAB CC(=O)N[C@@H]1C(=O)N(Cc2ccc(OC(C)C)cc2)c2c(Cl)cccc21 8048103 GNZGIWVTUZQWJF-SFHVURJKSA-N 372.852 3.851 0 40 FHAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc2c(c1)NC(=O)CS2 68930272 MCLDYMFQIRXVPS-QGZVFWFLSA-N 369.490 3.827 0 40 FHAB N=C1NC(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)S1 16805330 OIXDXNCZLAJBSK-ZROIWOOFSA-N 352.444 3.739 0 40 FHAB Cc1cc(CN2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)on1 97489695 OTAXUESUFWJQNM-HNNXBMFYSA-N 354.237 3.893 0 40 FHAB Cc1ccc(-c2noc(CNC(=O)c3ccc(OC(C)C)cc3)n2)cc1 8570349 UFVAKFJVAPEQPU-UHFFFAOYSA-N 351.406 3.762 0 40 FHAB O=C(CSc1nc(-c2ccccc2F)n[nH]1)Nc1cc(F)ccc1F 8515844 JFYKSQJXGCJIHU-UHFFFAOYSA-N 364.352 3.620 0 40 FHAB C[C@H](C(=O)Nc1ccccc1)[S@](=O)Cc1cccc(C(F)(F)F)c1 69812389 QFOJCTQDRLIUAY-YYUOZPCZSA-N 355.381 3.981 0 40 FHAB COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(SC)cc2)cc1OC 8767832 LCEWFLUFJQCNOY-CYBMUJFWSA-N 361.463 3.509 0 40 FHAB CC[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1nc2c(s1)CCCC2 28226894 CGRYZDIBDDKWPQ-ZDUSSCGKSA-N 360.435 3.547 0 40 FHAB COc1ccc(OC)c(CC(=O)Nc2ccc3sc(C(=O)O)cc3c2)c1 505963702 DXPUZRKNGPEGND-UHFFFAOYSA-N 371.414 3.798 0 40 FHAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2Cl)cc1 36620979 RZFSNVYIQLPLGS-KRWDZBQOSA-N 351.855 3.874 0 40 FHAB Cc1nnc(Nc2cncc([C@@H]3CCCN3CCc3ccccc3)n2)s1 72376241 MWELSAJZSKARDY-KRWDZBQOSA-N 366.494 3.760 0 40 FHAB CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 216469431 OPPOGSKPVCDUBY-LBPRGKRZSA-N 366.870 3.669 0 40 FHAB Cc1nn2cnnc2c(C)c1CCC(=O)Nc1ccc(Cl)cc1Cl 71288723 OOMCLDDQWQWRCU-UHFFFAOYSA-N 364.236 3.619 0 40 FHAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225052879 WSMAILHXIZUUMR-OAHLLOKOSA-N 356.447 3.705 0 40 FHAB O=C(Nc1ccc(N2CCCC2)cc1)C1(c2ccccc2)CCOCC1 41763765 LVXNNJVDGMJSJE-UHFFFAOYSA-N 350.462 3.974 0 40 FHAB Cc1ccc(C(=O)NCCC(C)C)cc1N(C)S(=O)(=O)c1ccccc1 224295335 FXWNCYMSVQDPDB-UHFFFAOYSA-N 374.506 3.596 0 40 FHAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl 222436527 RWNHFXJPQBPUBU-INIZCTEOSA-N 372.896 3.744 0 40 FHAB CNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 223350701 ROCBMRBMIGLJKP-QHCPKHFHSA-N 372.468 3.745 0 40 FHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2OC)cc1C(C)C 224421204 SWPDMGOUMGJOIP-AWEZNQCLSA-N 363.479 3.867 0 40 FHAB S=C(Nc1ccc(N2CCc3ccccc3C2)nc1)NC1CCCC1 224035463 RRUOQDRUDWUFNX-UHFFFAOYSA-N 352.507 3.873 0 40 FHAB COc1ccc(NC(=O)CN2C(=O)C(C)(C)c3cc(Cl)ccc32)c(C)c1 96181610 BVGMUYUTQQRRJI-UHFFFAOYSA-N 372.852 3.920 0 40 FHAB CCc1noc(-c2ccc(NC(=O)COc3cccc(C)c3C)cc2)n1 96346195 VETJMIIAAPYEBI-UHFFFAOYSA-N 351.406 3.933 0 40 FHAB Cn1nccc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2F)o1 257204069 ASXZZYGUDUGUTD-QGZVFWFLSA-N 368.412 3.505 0 40 FHAB CCNc1cc([C@@H]2CCCN2CC2=Cc3ccccc3OC2)nc(C)n1 257309490 UBDPWJQNBHPRMR-IBGZPJMESA-N 350.466 3.830 0 40 FHAB COc1ccc(C2(C(=O)N3CCC[C@H](c4ncc(C)s4)C3)CC2)cc1 257249631 JJDCTCOUSBOTNT-HNNXBMFYSA-N 356.491 3.898 0 40 FHAB CCn1ccnc1[C@@H]1OCC[C@H]1CN[C@H](c1ncc[nH]1)C1CCCCC1 658193966 HLBCCRWQRODWHE-OKZBNKHCSA-N 357.502 3.615 0 40 FHAB Oc1cccc(CN(Cc2cnc3ccccc3n2)[C@H]2CC[C@H](O)CC2)c1 585094508 VFXWMMPACAXZLD-WGSAOQKQSA-N 363.461 3.641 0 40 FHAB O=C(Nc1ccc2oc(=O)ccc2c1)c1cc(-c2ccccc2F)on1 58377982 KDBPBQMWCXPJIY-UHFFFAOYSA-N 350.305 3.839 0 40 FHAB O=C(CCc1nc[nH]n1)N1CC[C@@H](c2cccc(Oc3ccccc3)c2)C1 78757870 VNSYQRRKTMTZGS-QGZVFWFLSA-N 362.433 3.546 0 40 FHAB C[C@H](NC(=O)C1CCN(c2nc3ccccc3n2C)CC1)c1cccs1 12116350 ORCLAVBEBBCJPH-AWEZNQCLSA-N 368.506 3.729 0 40 FHAB Cc1occc1-c1nc(N2C[C@@H](C)O[C@H](C)C2)ncc1-c1ccncc1 12222817 BXYCSBJPNBKDIQ-ZIAGYGMSSA-N 350.422 3.721 0 40 FHAB Cc1ccc(-n2cc(CN3CCC(O)(c4cccc(C)c4)CC3)cn2)cc1 12344544 AEGYVLABIVIQMF-UHFFFAOYSA-N 361.489 3.973 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1 14796057 RMLJJKLIRKBQCI-INIZCTEOSA-N 354.450 3.931 0 40 FHAB C[C@@H](Cc1ccccn1)NC(=O)[C@H](C)Oc1cccc(C(F)(F)F)c1 19456986 PILYLAIVUQJPJL-STQMWFEESA-N 352.356 3.615 0 40 FHAB CCCC(=O)N1CCNC(=O)[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1 19501461 DXPSPONLNWLTBO-FQEVSTJZSA-N 364.489 3.579 0 40 FHAB CCc1nccn1C[C@@H](C)C(=O)N1CCC[C@H](COc2ccccc2C)C1 19523535 GLKFQIIBXVMSSM-MOPGFXCFSA-N 369.509 3.708 0 40 FHAB CC(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)C1 19694696 GSKCMEZTGLDYIS-HNNXBMFYSA-N 358.873 3.589 0 40 FHAB COc1ccc(OC)c([C@H]2S[C@H](C)C(=O)N2c2ncc(C)s2)c1 19927671 IINCXPIJQXRYED-MEBBXXQBSA-N 350.465 3.636 0 40 FHAB CC(C)N1C(=O)S/C(=C/c2cc3c(cc2Br)OCO3)C1=O 4545296 VJPUIAYVHAZTEX-UUILKARUSA-N 370.224 3.623 0 40 FHAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)C3CCCCC3)ccc21 17286690 DMSWPZOSZQNLFU-UHFFFAOYSA-N 364.511 3.698 0 40 FHAB COc1ccc(Cl)cc1NC(=O)CSc1ccc2c(c1)OCCO2 5019150 OAWDHJOFIPIROI-UHFFFAOYSA-N 365.838 3.851 0 40 FHAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc2[nH]nnc2c1 9657591 VCDORBSMKGTLCO-UHFFFAOYSA-N 355.810 3.987 0 40 FHAB Fc1cc(F)cc(CN2CC[C@H](Oc3ccncc3Br)C2)c1 1888864247 YUAWJFNMFYKORP-AWEZNQCLSA-N 369.209 3.776 0 40 FHAB Cc1ncc(CN2CCC[C@@]3(CCC(=O)N3Cc3ccccc3)CC2)s1 1565541843 AUEZMUXONCJKGP-OAQYLSRUSA-N 369.534 3.999 0 40 FHAB CCCc1cc(=O)[nH]c2nnc(SCc3cccc(C(F)(F)F)c3)n12 4250347 NFJALAOAIZJYPK-UHFFFAOYSA-N 368.384 3.681 0 40 FHAB O=C(O)C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 4618986 CSKGFBGBSIVICU-CYBMUJFWSA-N 367.323 3.857 0 40 FHAB O=C(NCc1c(-c2ccc(F)cc2)nc2n1CCS2)c1cccc(F)c1 17150101 UFKJVEBYPXFNMB-UHFFFAOYSA-N 371.412 3.864 0 40 FHAB O=C(NCCn1cc(-c2ccoc2)cn1)c1ccccc1SC(F)F 575615578 QURDORKTPSIBBX-UHFFFAOYSA-N 363.389 3.888 0 40 FHAB CC(C)c1noc(CCCC(=O)Nc2cc(Cl)ccc2-n2cccn2)n1 40145849 AVTWWPWCELVRHQ-UHFFFAOYSA-N 373.844 3.994 0 40 FHAB CN(C)[C@@H](CNC(=O)Nc1ccccc1N1CCCC1)c1ccc(F)cc1 40152259 UNRHLRFWMOOZDG-FQEVSTJZSA-N 370.472 3.850 0 40 FHAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cc(=O)c2ccccc2o1 31264627 LAHPOZWWSMPOIE-MRXNPFEDSA-N 365.385 3.603 0 40 FHAB COc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)O 40447936 FCSABBJJNZXECI-UHFFFAOYSA-N 374.759 3.782 0 40 FHAB CCOC(=O)C1CCN(c2cc(Oc3ccc(CC)cc3)ncn2)CC1 40478904 GMLPGOFHEFTKDQ-UHFFFAOYSA-N 355.438 3.611 0 40 FHAB Cc1cc(C)c2c(-c3ccccc3)nc(SCc3noc(C)n3)n2n1 31632997 URZIQAXQXOLLOI-UHFFFAOYSA-N 351.435 3.997 0 40 FHAB Cc1c(C(=O)NCc2cccc(Cl)c2)nnn1-c1ccc(Cl)cc1 51318116 RJBWXNKHOVSZNC-UHFFFAOYSA-N 361.232 3.813 0 40 FHAB Cn1c(S[C@H]2CCc3ccccc3NC2=O)nnc1-c1ccccc1 20734943 NQCDNBFRFRPEJP-INIZCTEOSA-N 350.447 3.528 0 40 FHAB COc1ccccc1-c1cc(COC(=O)[C@H]2COc3ccccc3C2)on1 32865973 QPDMZBXRSBDNSH-OAHLLOKOSA-N 365.385 3.645 0 40 FHAB CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2ccccc2F)NC(=O)N1 641252 HTBAPVOOEXTYAL-SFHVURJKSA-N 353.397 3.709 0 40 FHAB CCCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccncc1 796413 PUKKBTVYIXXCAG-UHFFFAOYSA-N 371.441 3.620 0 40 FHAB COc1ccc(CN2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc1 819235 RJXGWEDNDIMSAD-UHFFFAOYSA-N 352.478 3.532 0 40 FHAB CCC(=O)N(CCc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O 1366729 PDGPIMSHDYKCSY-UHFFFAOYSA-N 364.445 3.518 0 40 FHAB CCOC(=O)c1cc2c(nc1C)-c1cc(Cl)cc(Cl)c1O[C@@H]2O 2654135 IORFBQNZEZHGAZ-INIZCTEOSA-N 354.189 3.924 0 40 FHAB CCOc1ccc(N2C[C@](O)(c3cccs3)[N+]3=C2CCCCC3)cc1 2974616 XWTCQVMZOHWQIX-FQEVSTJZSA-N 357.499 3.797 0 40 FHAB O=C(CCC1CCCCC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 3269311 HSMUTGVIMBFOMG-UHFFFAOYSA-N 364.511 3.770 0 40 FHAB O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)NCc1cccs1 3362709 QFMOBFZFIMMHLA-UHFFFAOYSA-N 365.454 3.817 0 40 FHAB C[C@@H](OC(=O)c1cccnc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 3397305 LXGUJDHBYYAKAG-SECBINFHSA-N 372.730 3.938 0 40 FHAB C[C@H](NC(=O)COC(=O)c1ccccc1O)c1ccc(Cl)cc1Cl 3443310 MQNPPGIYVJQJAQ-JTQLQIEISA-N 368.216 3.733 0 40 FHAB CN(Cc1ccccc1)C(=O)CSc1ncnc2sc3c(c12)CCC3 3485968 QCIVCPJGWPCLBW-UHFFFAOYSA-N 369.515 3.931 0 40 FHAB COC(=O)c1ccc(COC(=O)c2c3c(nc4ccccc24)CCCC3)o1 3509962 SFVLDBMXZTUWJY-UHFFFAOYSA-N 365.385 3.850 0 40 FHAB COc1ccccc1C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl 3619385 IEYOJSDRSCESHC-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB COc1ccc([C@@H]2c3cc(OC)c(OC)cc3C[C@@H]3COC[C@@H]32)cc1OC 4782958 MNYFJOSGQNXLHS-ULYRPOKDSA-N 370.445 3.672 0 40 FHAB COc1ccccc1C1=NN2[C@@H](C1)c1ccccc1OC21CCN(C)CC1 4834743 VRQLGVAZBMHLNH-IBGZPJMESA-N 363.461 3.661 0 40 FHAB COc1ccccc1-n1c(/C=C/c2ccccn2)nc2ccccc2c1=O 5249767 WJNBQLVNPARPAK-BUHFOSPRSA-N 355.397 3.960 0 40 FHAB COC(=O)c1ccc(OCC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 5403044 BWEOEFKPEPKYFY-UHFFFAOYSA-N 369.417 3.720 0 40 FHAB CCNc1c(NS(=O)(=O)c2ccc(C)cc2C)c(=O)oc2ccccc12 6784673 DDWQGPJUKZNWSZ-UHFFFAOYSA-N 372.446 3.642 0 40 FHAB CCN(C(=O)[C@H](C)Nc1cc(NC(C)=O)ccc1OC)c1ccccc1 7057971 OXAOXKOTWYOGIR-AWEZNQCLSA-N 355.438 3.507 0 40 FHAB COc1ccc(/C=C2\CCn3c2nc2sc(C)c(C)c2c3=O)cc1O 7699805 KAKWGLXOGHXYCQ-MDWZMJQESA-N 354.431 3.733 0 40 FHAB C[C@H](NC(=O)COC(=O)c1ccccc1F)c1ccc2c(c1)CCCC2 7838031 YJSUJYGAAOVXBQ-AWEZNQCLSA-N 355.409 3.739 0 40 FHAB Cc1ccc(NC(=O)CNc2ccccc2C(=O)NCc2ccco2)cc1 7976067 VQTAISIUXABDFI-UHFFFAOYSA-N 363.417 3.569 0 40 FHAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 8014455 RPFQPNXFVYOJII-CQSZACIVSA-N 366.417 3.624 0 40 FHAB COc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1 8218490 VGLJZSQPTRTYKN-ZDUSSCGKSA-N 358.825 3.649 0 40 FHAB COc1ccc(-c2noc(CSc3ncnc4ccccc34)n2)cc1 8527428 WJMYIGGIIWOPIO-UHFFFAOYSA-N 350.403 3.981 0 40 FHAB CC(C)n1cc(/C=c2/sc3nc4ccccc4n3c2=O)c2ccccc21 8618334 UDXRSVRZILSVGK-YBFXNURJSA-N 359.454 3.993 0 40 FHAB Cc1ccccc1-n1nnnc1S[C@H](C)C(=O)c1ccc(F)c(F)c1 8987987 LXYVDTGOEYONBS-LLVKDONJSA-N 360.389 3.612 0 40 FHAB Cc1noc(C)c1COc1ccccc1C(=O)N[C@@H](C)c1ccccn1 9379260 HBTNWVGZXOICMW-AWEZNQCLSA-N 351.406 3.756 0 40 FHAB COc1ccccc1-n1nnnc1SCc1coc(-c2cccs2)n1 9503033 UDYOIROWSJTYFK-UHFFFAOYSA-N 371.447 3.680 0 40 FHAB COc1cc(C(=O)Nc2ncccc2C)ccc1OCc1c(C)noc1C 9609134 CLWAMKCMUGDHLI-UHFFFAOYSA-N 367.405 3.835 0 40 FHAB CCCc1ccc(-c2nc(NC(=O)C3=NN(C)C(=O)CC3)sc2C)cc1 9653478 XYYOJGCTSBRYET-UHFFFAOYSA-N 370.478 3.618 0 40 FHAB CSCC[C@H](NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1 9679660 OPPNYIIXFNUGAD-KRWDZBQOSA-N 354.479 3.857 0 40 FHAB C[C@@H]1Oc2ccc(NC(=O)/C=C/c3nc4ccccc4s3)cc2NC1=O 9954585 BNOCZZBBWXUJEG-FBOQAHMBSA-N 365.414 3.668 0 40 FHAB COc1ccc(SCC(=O)Nc2nc(-c3ccccn3)cs2)cc1 10219197 GTZJJYWKKARWJE-UHFFFAOYSA-N 357.460 3.945 0 40 FHAB Cc1ccc(C)c(N([C@H](C)C(=O)Nc2cccc(C)c2C)S(C)(=O)=O)c1 10434221 JAQWNBYKPCJOIR-QGZVFWFLSA-N 374.506 3.713 0 40 FHAB Cc1ccccc1CS(=O)(=O)NCCCc1ccc(OC(C)C)cc1 10543374 ZOQNGHNQYMTLJT-UHFFFAOYSA-N 361.507 3.834 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1C 10684212 RGCLLFPXNSJPAD-CVEARBPZSA-N 354.450 3.929 0 40 FHAB Cc1nc2sc(C)c(C)n2c(=O)c1NC(=O)CCCc1ccccc1 11768694 LDUATVYCCBSFKN-UHFFFAOYSA-N 355.463 3.643 0 40 FHAB CC(=O)c1ccccc1OCCSc1nnc(N2CCCC2)n1C1CC1 11780557 AYXDXKGBCVOGBQ-UHFFFAOYSA-N 372.494 3.587 0 40 FHAB O=C(NCc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2cccnc2)s1 12545615 ZGTNSBGANYZIGT-ZSOIEALJSA-N 374.828 3.739 0 40 FHAB Cn1ccnc1[C@H](NC(=O)Nc1ccc(F)cc1F)c1cccc(F)c1 12604135 PNBZCXWDGAISOI-MRXNPFEDSA-N 360.339 3.749 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCC3=O)cc2)cc1F 12606788 RDGRMTWLBIBQCV-CQSZACIVSA-N 355.413 3.700 0 40 FHAB Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1ccccc1Cl 12748857 TZOLXVNPGFOXBS-UHFFFAOYSA-N 373.815 3.838 0 40 FHAB Cc1ccccc1[C@@H](C)NC(=O)NCc1ccc(N2CCCC2=O)cc1 12752085 KBRDINZVMBXHSK-MRXNPFEDSA-N 351.450 3.682 0 40 FHAB COc1ccc2c(c1)CCC[C@@]21NC(=O)N(Cc2ccc(Cl)cc2)C1=O 12791623 GQVRVHLCSFDNJY-HXUWFJFHSA-N 370.836 3.632 0 40 FHAB O=S(=O)(N[C@H]1CCSc2ccc(Cl)cc21)c1ccc(F)cc1 12877255 BGOFNYSMRYTZLQ-AWEZNQCLSA-N 357.859 3.995 0 40 FHAB Cc1ccc(NC(=O)C2CCN(C(=O)C3CC3)CC2)cc1C(F)(F)F 12930662 SSYBZWMDHXKBHW-UHFFFAOYSA-N 354.372 3.601 0 40 FHAB Cn1cc(C(=O)Nc2ccc(F)cc2)c(-c2ccc3c(c2)OCCCO3)n1 12987093 KBVYTZMTWXSQSN-UHFFFAOYSA-N 367.380 3.640 0 40 FHAB O=C1C[C@@]2(CC[C@H]3[C@H](C(=O)NCc4ccccc4F)[C@H]32)Oc2ccccc21 13267006 GXBAPDJCFYVWNO-WWMNNVMHSA-N 365.404 3.502 0 40 FHAB COC(=O)C[C@H](NC(=O)c1cccs1)c1ccc(Br)cc1 14167176 OUEIINHLWKNBQG-LBPRGKRZSA-N 368.252 3.545 0 40 FHAB CN(C)c1nc(-c2ccccc2)c(C(=O)Nc2ccc3c(c2)OCO3)s1 14232679 GFWLXEBHJSCQPQ-UHFFFAOYSA-N 367.430 3.857 0 40 FHAB O=C(C[C@H]1Nc2ccccc2OC1=O)Nc1cc(Cl)cc(Cl)c1 14608260 GLEVIDUVAPIWGL-CYBMUJFWSA-N 351.189 3.722 0 40 FHAB Cc1cc(=O)oc2cc(NC(=O)c3cncc(Br)c3)ccc12 14722476 GCRBMKUFWDCGCC-UHFFFAOYSA-N 359.179 3.511 0 40 FHAB COc1ccc(OC)c(NS(=O)(=O)c2c(Cl)cccc2Cl)c1 16130497 AWRLKBDGNHRCKN-UHFFFAOYSA-N 362.234 3.811 0 40 FHAB Fc1ccc(-c2nc(=S)[nH]cc2-c2nnnn2-c2ccccc2)c(F)c1 16523885 DCZGYWDIAPONCL-UHFFFAOYSA-N 368.372 3.727 0 40 FHAB CCOc1ccc(N2C3=[N+](CCCCC3)C[C@]2(O)c2ccc(F)cc2)cc1 16852099 CQUPXTNMZHFTLZ-QFIPXVFZSA-N 369.460 3.875 0 40 FHAB O=C(/N=c1\[nH]c2ccc(F)cc2s1)c1cc(=O)c2cc(Cl)ccc2o1 16972645 QAAJDJJEUOGIQL-UHFFFAOYSA-N 374.780 3.869 0 40 FHAB COC(=O)CSc1nc(O)c2c3c(sc2n1)C[C@H](C(C)(C)C)CC3 18046131 ZTQNTAITRGSHHG-SECBINFHSA-N 366.508 3.813 0 40 FHAB CCn1cc(-c2cc(O)n3nc(C)c(-c4ccc(Cl)cc4)c3n2)cn1 19525116 BLGHFMFXRDPJEP-UHFFFAOYSA-N 353.813 3.947 0 40 FHAB CS(=O)(=O)c1cc(Cl)cnc1C1CCN(Cc2ccsc2)CC1 19573369 DMAHDERQFBXFMR-UHFFFAOYSA-N 370.927 3.580 0 40 FHAB COc1ccc(-c2nc(C(=O)Nc3n[nH]c4nc(C)ccc34)cs2)cc1 19717288 YISCWRUROAXBBI-UHFFFAOYSA-N 365.418 3.651 0 40 FHAB N[C@@H](Cc1c[nH]c2ccccc12)CN1CCN(c2cccc(Cl)c2)CC1 19852736 XAFYLTJHCCSKRP-SFHVURJKSA-N 368.912 3.513 0 40 FHAB CC[C@@H](Oc1ccccc1C)C(=O)NCCc1ccc(OC)c(OC)c1 20040515 HQWLJSIKRGIIPE-QGZVFWFLSA-N 357.450 3.529 0 40 FHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CCN(c2ccccc2F)CC1 20046827 YUEVEKLQYYWNIY-HXUWFJFHSA-N 370.468 3.949 0 40 FHAB COc1cc(OC)c(NC(=O)c2noc3c2CCCCC3)cc1Cl 20227987 YLFUWLJTIAHZLZ-UHFFFAOYSA-N 350.802 3.866 0 40 FHAB Cc1cccc(C)c1OC[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1 20347324 LNZGCQZQEBDVRK-HXUWFJFHSA-N 374.912 3.519 0 40 FHAB Cc1c(C)c2ccc3c(c2oc1=O)CN(CCc1cccc(F)c1)CO3 20610224 ZHNONVTYEMURJO-UHFFFAOYSA-N 353.393 3.944 0 40 FHAB biogenic CCOC(=O)c1cnc2c(-c3ccc(Cl)cc3)c(C(C)C)nn2c1N 20636006 MQFWNIFMKUYYDJ-UHFFFAOYSA-N 358.829 3.932 0 40 FHAB Cc1nn(-c2ncccn2)c2c1[C@H](c1c(F)cccc1Cl)CC(O)=N2 20738335 QESUESMGLBJXJJ-SNVBAGLBSA-N 357.776 3.887 0 40 FHAB CC(=O)NCCC(=O)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 21532336 HGYKHWGQNXVJNP-UHFFFAOYSA-N 372.375 3.563 0 40 FHAB COC(=O)c1sccc1NC(=O)c1csc(-c2ccsc2)n1 21589436 FNFQYHLIUIBINU-UHFFFAOYSA-N 350.446 3.972 0 40 FHAB O=C(OCC(=O)N1CCc2[nH]c3ccccc3c2C1)c1cc2ccccc2o1 21763282 XNECCLCYTBZYFE-UHFFFAOYSA-N 374.396 3.656 0 40 FHAB CN(C)[C@@H](CNCc1cc(Cl)c2c(c1)OCCCO2)Cc1ccccc1 21841811 HKESSPYKWDPYNX-GOSISDBHSA-N 374.912 3.764 0 40 FHAB COc1ccc([C@H](CNC(=O)c2cccc(Cl)c2)N2CCCC2)cc1 21911914 CCSXLIZZCOTWLH-IBGZPJMESA-N 358.869 3.916 0 40 FHAB biogenic COc1ccc(CN(C)C(=O)CCn2ccc3ccccc32)c(OC)c1 21913063 RKECAZOZKJPWKI-UHFFFAOYSA-N 352.434 3.707 0 40 FHAB Cc1cc(F)ccc1NC(=O)CSc1nnc(-c2ccccc2F)n1C 22411096 FGYUEOTXXOVDBX-UHFFFAOYSA-N 374.416 3.800 0 40 FHAB COc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1Cl 22875831 VGXAJARSGKUWOO-UHFFFAOYSA-N 358.825 3.723 0 40 FHAB Cc1cc(CN(C)C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)no1 25139547 URNOIWQXVSKCGO-UHFFFAOYSA-N 366.446 3.964 0 40 FHAB Cc1cc(C(F)(F)F)nn1CCCNC(=O)Cc1ccc(Cl)cc1 27933249 TXURZFYGMSZDMG-UHFFFAOYSA-N 359.779 3.613 0 40 FHAB C[C@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(F)c(F)c1 28912197 DKJVIZDSMJHHGY-LBPRGKRZSA-N 359.376 3.531 0 40 FHAB COc1ccc(S[C@@H](C)C(=O)N2CCc3ccccc3C2)cc1OC 30751580 VDPATTKKCNZDPM-AWEZNQCLSA-N 357.475 3.769 0 40 FHAB CC1=C[C@@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@H]1CC(=O)Nc1ccccn1 30882123 VICGGTFZJUHFFO-FHWLQOOXSA-N 369.509 3.791 0 40 FHAB biogenic,in-vitro CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc(C(=O)O)c1 32601664 DJVIAYHAJHJNON-UHFFFAOYSA-N 363.435 3.708 0 40 FHAB COc1ccc([C@@H](CNC(=O)c2oc3c(F)cccc3c2C)N(C)C)cc1 32780879 FIQNCDXMRALEIY-GOSISDBHSA-N 370.424 3.922 0 40 FHAB Cc1nc(NC(=O)c2c(F)cccc2Cl)sc1-c1nccn1C 32905577 UKKXGQWPFLYFJR-UHFFFAOYSA-N 350.806 3.897 0 40 FHAB CCOc1c(Br)cc(C(=O)Nc2cccc(O)c2)cc1OC 33750827 XYLJMLIXWVKBPC-UHFFFAOYSA-N 366.211 3.814 0 40 FHAB Fc1ccc(CNc2ncnc3c2nnn3Cc2ccccc2Cl)cc1 35314886 OFLSAJMBNQUXBU-UHFFFAOYSA-N 368.803 3.674 0 40 FHAB CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)[C@]2(C)CC2(Cl)Cl)c1 40122232 LQMHECQUDBFTJX-BZNIZROVSA-N 357.281 3.871 0 40 FHAB COc1ccc(-c2[nH]c3ccccc3c2CC/C(O)=N/S(C)(=O)=O)cc1 42279295 ULERJNGKSUTSPR-UHFFFAOYSA-N 372.446 3.692 0 40 FHAB Cc1nc(SCc2nc(-c3ccc(OC(C)C)cc3)no2)[nH]c(=O)c1C 44168979 QBKQFDIGXSLIQG-UHFFFAOYSA-N 372.450 3.516 0 40 FHAB Cc1nc2ccccc2nc1CS(=O)(=O)Cc1c(F)cccc1Cl 44641521 CLKCGBFCCJFGID-UHFFFAOYSA-N 364.829 3.846 0 40 FHAB O=C(c1ccc2c(c1)OCCCO2)N1CCn2cccc2[C@H]1c1ccccc1 45249175 PEZCWYOLOOOVQM-JOCHJYFZSA-N 374.440 3.895 0 40 FHAB Cc1nc(-c2ccco2)nc2sc(C(=O)N3C[C@H](C)OC[C@@H]3C)c(C)c12 45449633 VXEYMQTYGLEXRL-QWRGUYRKSA-N 371.462 3.818 0 40 FHAB CCCc1noc2nc(C3CC3)cc(C(=O)N3CCO[C@H]4CCCC[C@H]43)c12 46482645 AOQZPRYNOVYIDJ-MSOLQXFVSA-N 369.465 3.836 0 40 FHAB Cc1cc(C(=O)N(C2CC2)[C@H](C)C2CC2)c2nc3n(c2n1)CCCCC3 47449246 LMWWTQHXVLLJBO-CQSZACIVSA-N 352.482 3.869 0 40 FHAB CCCC(=O)N1CCC[C@H](C(=O)Nc2ccc(OC3CCCC3)cc2)C1 48368649 GDEMOTQRQDPHNJ-INIZCTEOSA-N 358.482 3.985 0 40 FHAB Cc1ccc(-c2ccc3nn(Cc4c(F)cccc4Cl)c(=O)n3n2)cc1 49399390 LCNWAJGPBLHSGQ-UHFFFAOYSA-N 368.799 3.707 0 40 FHAB CC(C)(C)C(=O)NCC1(c2cccc(Br)c2)CCOCC1 54319044 LOFOEGGOUAIQQN-UHFFFAOYSA-N 354.288 3.660 0 40 FHAB CCOC(=O)c1ccc(NC(=O)CCCSc2nc(C)cc(C)n2)cc1 54363713 RNLPZKFNJMHYNF-UHFFFAOYSA-N 373.478 3.781 0 40 FHAB C[C@@H](NC(=O)Nc1cccnc1N1CCOCC1)c1cc2ccccc2o1 54480950 FSORDAMTHOLXOE-CQSZACIVSA-N 366.421 3.547 0 40 FHAB CN(C(=O)CCC(=O)N1CCc2sccc2C1)[C@H]1CCc2ccccc21 55114805 XESMKBMXWBNHIS-SFHVURJKSA-N 368.502 3.559 0 40 FHAB Cc1ccc(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c2[nH]ncc12 58023253 UGTCICFWLORKCS-JTQLQIEISA-N 352.419 3.556 0 40 FHAB COC(=O)c1cccc(OCCSc2nnc(-c3ccoc3C)o2)c1 58162532 MELJYLFMEPVPEQ-UHFFFAOYSA-N 360.391 3.596 0 40 FHAB O=C(NCc1ccccc1F)N(Cc1cccc(O)c1)C1CCC(O)CC1 58201530 PWBGNYCNLBYVBM-UHFFFAOYSA-N 372.440 3.547 0 40 FHAB O=C(Nc1nccs1)[C@H]1CCCN1C(=O)CC12CC3CC(CC(C3)C1)C2 58426168 UBCAMNYLYJTALQ-FYMRZPMTSA-N 373.522 3.679 0 40 FHAB O=C(CCCOc1cccc(F)c1)Nc1cccc(C(=O)NC2CC2)c1 72004398 APUGFDIIBQZSRW-UHFFFAOYSA-N 356.397 3.516 0 40 FHAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CCc1cnc(Br)cn1 74941272 IOGPUXJIJOMFRQ-CYBMUJFWSA-N 370.291 3.961 0 40 FHAB CS(=O)(=O)c1ccc2c(c1)CCCN2Cc1cc(F)cc2cccnc12 83989794 NJWHINVTBOTXIW-UHFFFAOYSA-N 370.449 3.730 0 40 FHAB O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(N2CCCC2)nn1 84392655 POVHQAMRZMVOAQ-SFHVURJKSA-N 356.857 3.611 0 40 FHAB CCN(c1ccc(NC(=O)CSc2nnc(C)n2CC)cc1)C(C)C 95396986 JFACYWMLCKYTFD-UHFFFAOYSA-N 361.515 3.572 0 40 FHAB O=C(CNc1ccn(CC(F)(F)F)n1)Nc1cccc(Cl)c1Cl 95430819 WUCQOZANLFHJFM-UHFFFAOYSA-N 367.158 3.803 0 40 FHAB COCCOc1ccc(C(=O)N2[C@@H](C)Cc3cc(F)ccc3[C@H]2C)cc1 95455925 PHUOLAVBMMGCJF-LSDHHAIUSA-N 357.425 3.999 0 40 FHAB CC(C)(C)OC(=O)NCCCNC(=O)c1cccc(Oc2ccccn2)c1 96122685 UPJMSNBACBEBSC-UHFFFAOYSA-N 371.437 3.519 0 40 FHAB O=C(c1ccncc1)N1CCC[C@@H]1c1nnn2cc(-c3ccccc3)ccc12 96156548 HMEKRIORBZRXIU-LJQANCHMSA-N 369.428 3.769 0 40 FHAB Cc1ccc([C@@H](CNC(=O)C2(c3cccs3)CCCC2)OCCO)cc1 96337794 QLCQPODYVIXOLX-GOSISDBHSA-N 373.518 3.735 0 40 FHAB Cc1ccc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2ccc(F)c(F)c2)C3)nc1 100149327 JRTPFWMTUQRAGQ-IAGOWNOFSA-N 358.432 3.788 0 40 FHAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@H](C4)[C@@H]32)ccc1O 100511920 KNUWZJNVRUBDEL-LWNDBSEQSA-N 361.488 3.803 0 40 FHAB COc1ccc([C@H]2NC(=S)NC(C)=C2C(=S)Nc2ccccc2)cc1 100857978 FXWCPIWWJKZLTF-QGZVFWFLSA-N 369.515 3.928 0 40 FHAB Cn1c(CN2CCO[C@@H](c3ccccc3Cl)C2)nnc1-c1ccccc1 103490050 RATLAFUNSQTNAV-GOSISDBHSA-N 368.868 3.709 0 40 FHAB O=C(O)[C@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 218473152 KTOWDRUKIHSHEU-ZNMIVQPWSA-N 371.241 3.634 0 40 FHAB O=C(Nc1cccc(F)c1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223919130 KUNOWUQTXFCSCT-UHFFFAOYSA-N 370.405 3.879 0 40 FHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1cccc(OC)c1 224622956 OUYGWNAPGPUETA-GOSISDBHSA-N 363.841 3.701 0 40 FHAB Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)c(I)c1 225012773 HNYIEMYTGGCGLB-MISXGVKJSA-N 355.219 3.518 0 40 FHAB Cn1c(=O)sc2cc(NC(=O)Cc3ccc(Cl)cc3F)ccc21 225068302 LQQURWHWDTWVAB-UHFFFAOYSA-N 350.802 3.574 0 40 FHAB CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225110031 QHYVCEHGZUKMTQ-UHFFFAOYSA-N 361.797 3.842 0 40 FHAB COCCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1Cl 225642094 QIQXFEZOSRHNBK-UHFFFAOYSA-N 355.862 3.899 0 40 FHAB NC(=O)/C=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 226333489 YKOBVYYRWNRHJP-XBXARRHUSA-N 350.187 3.666 0 40 FHAB CON(C)C(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 257173883 ZYOVLSDBYQUXLX-QZTJIDSGSA-N 372.490 3.705 0 40 FHAB Cc1nccc(N2CCC[C@@H]2c2ccnc3ncc(-c4ccc(F)cc4)n23)n1 257235631 GYSHMBGYURAHGB-QGZVFWFLSA-N 374.423 3.975 0 40 FHAB CC(=O)N1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCCN2Cc1coc(C)n1 257308950 TYWONOUNIVJQNN-PCCBWWKXSA-N 353.466 3.700 0 40 FHAB Cc1ccc(CC(=O)N2CCCC[C@H]2c2nnc(-c3ccncc3)o2)cc1 257339630 ZCODWZDUUUNMEQ-SFHVURJKSA-N 362.433 3.736 0 40 FHAB O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2CN(Cc3ccco3)C[C@@H]21 306143147 XUOQUMGRIBXSRD-APWZRJJASA-N 371.483 3.763 0 40 FHAB O=S(=O)(Cc1ccccc1F)NCCc1ccc(-c2ccoc2)s1 390829972 HVLSKWRKNASRIV-UHFFFAOYSA-N 365.451 3.809 0 40 FHAB CCc1ccc(NC(=O)CSc2nc(O)c3c(C)csc3n2)cc1 408595363 IIAVQJSNVNAJRN-UHFFFAOYSA-N 359.476 3.999 0 40 FHAB C[C@@H]1CN(C(=O)Nc2ccc(N3CCCCC3)nc2)Cc2ccccc2O1 583789894 YUZYYSGLOJLQFO-MRXNPFEDSA-N 366.465 3.887 0 40 FHAB OC1(c2ccc(F)cc2)CN(Cc2ccccc2OCc2cccnc2)C1 585081043 CGPQDCYSDAOCHC-UHFFFAOYSA-N 364.420 3.503 0 40 FHAB O=C(CC1CCC2(CC1)CCN(C(=O)C1(F)CCC1)CC2)N1CCCC1 585101505 GLBLSCNDPKAHTH-UHFFFAOYSA-N 364.505 3.690 0 40 FHAB CC(C)(C)c1nc2ccc(NC(=O)NCC(=O)NC3CCCC3)cc2s1 608332185 MHKATNIYKNCAHI-UHFFFAOYSA-N 374.510 3.774 0 40 FHAB CCc1nc(-c2ccccc2NC(=O)[C@H]2C[C@]23CCOc2ccccc23)n[nH]1 677366719 VGBCMYKTCDETJN-ZHRRBRCNSA-N 374.444 3.713 0 40 FHAB O=C(Nc1ccc(-c2cccc(O)c2)cc1)[C@@H](O)Cc1cccc(F)c1 1184150516 OBXFBUGNDMBROV-FQEVSTJZSA-N 351.377 3.740 0 40 FHAB CCC(=O)N1CC[C@H]2CC(=O)Nc3cc(C(C)C)ccc3OCC[C@H]2C1 1534646699 PKDPGLFOEHBGJJ-IRXDYDNUSA-N 358.482 3.796 0 40 FHAB Cn1c(N2CCC(COc3cc(C4CC4)ncn3)CC2)nc2ccccc21 1565519238 IXQJWSSGJCIXPV-UHFFFAOYSA-N 363.465 3.536 0 40 FHAB C[C@@H]1CC[C@](NC(=O)c2cccc3c2ccn3C)(C(=O)O)c2ccccc21 1594324142 YGJFBFFGXCFCOF-JLCFBVMHSA-N 362.429 3.786 0 40 FHAB CO[C@@H]1CCC2(CCN(C(=O)c3ncnc(C)c3C)CC2)c2ccccc21 1614941006 ZPIYKVZQHOKOFC-LJQANCHMSA-N 365.477 3.749 0 40 FHAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2cscn2)N1c1ccc(F)cc1 1615160979 VBQYCOVKDFIWAV-IRXDYDNUSA-N 359.470 3.944 0 40 FHAB COc1nc2ccc(NC(=O)[C@@H](C)n3ccc(C(F)(F)F)n3)cc2s1 1626227231 FQYODGFZUFBOCM-MRVPVSSYSA-N 370.356 3.720 0 40 FHAB O=S(=O)(Cc1cc(F)cc(F)c1)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1775975215 CGLJKWOGAMOENS-ROUUACIJSA-N 353.434 3.758 0 40 FHAB Cc1nc(-n2nc(C3CC3)cc2NC(=O)C2(C)CCCCC2)nc(O)c1C 1888850445 RXZYNPVEDSAOFE-UHFFFAOYSA-N 369.469 3.771 0 40 FHAB Fc1ccc(CN2CC[C@H](Oc3ccncc3Br)C2)cc1 1888860189 SRNJARRWGWALRZ-AWEZNQCLSA-N 351.219 3.637 0 40 FHAB CC(=O)N1CCCCN(Cc2ccc(F)cc2)CCOc2ccccc2C1 2037985673 RTVMPAUATYWHSA-UHFFFAOYSA-N 370.468 3.849 0 40 FHAB O=C(c1nccnc1-c1nc2ccccc2s1)N1C[C@H]2CC=CC[C@@H]2C1 76022918 LLPNUPMXJLKICA-ZIAGYGMSSA-N 362.458 3.792 0 40 FHAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCc1ccc2ccccc2c1 78232714 SAIXKWRTZQGVIS-QHCPKHFHSA-N 372.468 3.992 0 40 FHAB Cc1nc(NC[C@@H](O)c2cnn(C)c2)c2c(-c3ccccc3)csc2n1 78374969 ZAAKCGIWRVRBGQ-MRXNPFEDSA-N 365.462 3.546 0 40 FHAB COc1ccc(-c2oc3c(OC)c(OC)c(OC)cc3c(=O)c2OC)cc1 2036726 DGNOHOXRWCCDLK-UHFFFAOYSA-N 372.373 3.503 0 40 FHAB endogenous,in-man O=C(Cc1csc(-c2ccccc2)n1)NC[C@@H]1CCCN2CCCC[C@H]12 79191312 ITGJBAIBOCJYQR-PKOBYXMFSA-N 369.534 3.733 0 40 FHAB biogenic CCOc1ccc(NC(=O)COC(=O)c2cc(C)nc3ccccc23)cc1 3366912 SFQKUCJAWLQCKR-UHFFFAOYSA-N 364.401 3.737 0 40 FHAB Cc1cccc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)n1 6755925 XRCMIHRIHGRLET-UHFFFAOYSA-N 361.401 3.929 0 40 FHAB Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 6961595 KXFWSVLMGPUSLM-LDADJPATSA-N 351.450 3.914 0 40 FHAB CCCn1nnnc1NCc1ccc(OCc2ccc(Cl)cc2)cc1 7263403 VALQZUZXZFKBAB-UHFFFAOYSA-N 357.845 3.928 0 40 FHAB Cc1cccc(C)c1NC(=O)CN(C)[C@@H](C)C(=O)c1c[nH]c2ccccc12 7682851 LDKWAANUGMJUMQ-INIZCTEOSA-N 363.461 3.926 0 40 FHAB COc1ccc(C2(O)C[C@@H]3CC[C@@H](C2)N3CC(C)(C)CN2CCCC2)cc1 100727109 DJTYLKLGKCPIDX-PMACEKPBSA-N 372.553 3.632 0 40 FHAB CCCCc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1 10330262 VYBKZCRITAMKAJ-UHFFFAOYSA-N 360.479 3.961 0 40 FHAB Cc1cc(OCC(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)ccc1Cl 8276800 YCFQJZQTQOQBPP-HACGYAERSA-N 367.873 3.511 0 40 FHAB Cc1c(C(=O)OCC(=O)Nc2ccc(F)c(F)c2)oc2ccc(F)cc12 8543482 JVHNANQWGGIVJW-UHFFFAOYSA-N 363.291 3.954 0 40 FHAB Cc1cc(CNC(=O)c2ccccc2NC(=O)c2ccco2)ccc1F 8708632 SEOURPGVZYRRDA-UHFFFAOYSA-N 352.365 3.909 0 40 FHAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccc(F)c3)cc21 8959463 CEIDKUWHACXJEX-UHFFFAOYSA-N 356.397 3.850 0 40 FHAB Cc1ccc(C(=O)N[C@H](C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)C(C)C)cc1 105287403 QAJVIOIVSYSBEL-HNULKUCHSA-N 356.510 3.690 0 40 FHAB CCc1nc2ccccc2n1CC(=O)N[C@@H](C)c1ccc(OC)c(F)c1 24078904 KPANTDZSGUTTBW-ZDUSSCGKSA-N 355.413 3.624 0 40 FHAB COc1ccc(OC)c([C@H]2S[C@@H](C)C(=O)N2c2ncc(C)s2)c1 19927663 IINCXPIJQXRYED-ZUZCIYMTSA-N 350.465 3.636 0 40 FHAB Cc1noc(C)c1CNc1ccc(C(=O)NCc2ccccc2F)cc1 55868326 WUCZFLDTMXATMF-UHFFFAOYSA-N 353.397 3.973 0 40 FHAB CSc1ncccc1C(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 25536647 HWURZQOHMMJDTK-LJQANCHMSA-N 369.534 3.616 0 40 FHAB O=C(Nc1ccc(-n2cccn2)nc1)N1CCC[C@H]1c1cccc(F)c1 56615617 PZKBNRWVSSOXJL-KRWDZBQOSA-N 351.385 3.775 0 40 FHAB Cc1nc(S(=O)(=O)Cc2ccc(F)cc2Cl)n(CC(C)C)c1C 47961294 RKCZHVNWHLEEBD-UHFFFAOYSA-N 358.866 3.922 0 40 FHAB CCc1ccccc1NC(=O)Cn1c(-c2ccc(F)cc2)nc(C)cc1=O 57477806 WHJMGPNYASSOAD-UHFFFAOYSA-N 365.408 3.559 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)CNc1cc2c(cc1Cl)OCCCO2 57818666 JREBUMJIVZQXSV-CYBMUJFWSA-N 372.852 3.891 0 40 FHAB O=C(COc1ccccc1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 20610417 XAPYAEWVKGTJJG-UHFFFAOYSA-N 362.364 3.577 0 40 FHAB O=C(Cc1ccc(OC(F)(F)F)cc1)N(Cc1cccnc1)C1CC1 48091348 ARRLNJVZQQTJSA-UHFFFAOYSA-N 350.340 3.714 0 40 FHAB Cc1cccc(C(=O)NCC(=O)N2CCC(CCc3ccccc3)CC2)c1 21072149 MDYNYCUWGXMANM-UHFFFAOYSA-N 364.489 3.596 0 40 FHAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(S(C)(=O)=O)c1 58111587 JVEHXGRHGPIERC-PMACEKPBSA-N 371.502 3.889 0 40 FHAB Cc1nn(CCC(=O)N[C@@H](C)c2ccccc2)c(C)c1Br 27969239 MEFMHXHJAKBWOD-NSHDSACASA-N 350.260 3.530 0 40 FHAB Cc1cccc(C(C)(C)CNC(=O)NC2CCN(C(=O)C(C)(C)C)CC2)c1 58208844 FUKLLUDBPIVXBV-UHFFFAOYSA-N 373.541 3.609 0 40 FHAB O=C(Nc1ccc(Cc2ccncc2)cc1)N1CCC[C@@H](N2CCCC2)C1 58265894 PIGASMKQMIEODG-OAQYLSRUSA-N 364.493 3.765 0 40 FHAB CCCCOc1ccc(OC)cc1NC(=O)c1cccc(NC(N)=O)c1 28015114 FBPGAZZNKDEUDM-UHFFFAOYSA-N 357.410 3.617 0 40 FHAB Cc1cccn2cc(-c3cccc(S(=O)(=O)N4CCC[C@@H](C)C4)c3)nc12 2427258 ZKPBWVADSYHLBU-OAHLLOKOSA-N 369.490 3.730 0 40 FHAB Cc1ccccc1CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 11343825 UZPBXMZMOXESLH-GOSISDBHSA-N 373.250 3.725 0 40 FHAB O=C(c1cccc(Cl)c1)c1cccc(CN2CCC3(CC2)OCCO3)c1 2515230 XZLZUIHRWOUHJG-UHFFFAOYSA-N 371.864 3.910 0 40 FHAB CCc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1 25469263 FXYQPYCTHDNOFK-UHFFFAOYSA-N 374.843 3.640 0 40 FHAB C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)NC[C@H]1CCCO1 3353521 PFWWXYAMMGJVIH-WCBMZHEXSA-N 368.808 3.530 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCOc1ccc(F)cc1 48324242 UJSXZFKKEIOJQN-UHFFFAOYSA-N 367.424 3.714 0 40 FHAB O=C(O[C@H]1CCOC1=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 3427495 UCJLJWLTOPICQC-HNNXBMFYSA-N 350.292 3.845 0 40 FHAB O=C(NCc1cccnc1)c1cn(-c2ccccc2)nc1-c1cccs1 38140718 WCGGCAPGLNZRIM-UHFFFAOYSA-N 360.442 3.926 0 40 FHAB COc1ccc(-c2c(C(C)C)nc3nc(C(F)(F)F)nn3c2N)cc1 20638447 QPLWKPPGFURBHF-UHFFFAOYSA-N 351.332 3.524 0 40 FHAB Cc1cc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)c2ccccc2n1 3591114 WPGKYOCKNBMGBV-OAHLLOKOSA-N 360.413 3.678 0 40 FHAB COc1ccc2cc([C@H](C)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)ccc2c1 12936221 CJMAICGEYNCKHE-LBPRGKRZSA-N 361.401 3.760 0 40 FHAB COc1ccc(C(=O)CSc2nnc(NC(C)(C)C)s2)cc1F 8986833 DAUSIQKAMBDFGJ-UHFFFAOYSA-N 355.460 3.871 0 40 FHAB O=C(Cn1c(=O)sc2ccccc21)Nc1cccc(C(F)(F)F)c1 4019371 KDHKEIVBLDSRMC-UHFFFAOYSA-N 352.337 3.721 0 40 FHAB COc1ccc(OCCn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1 6087297 FKZQBDOKAKJLCU-UHFFFAOYSA-N 365.216 3.791 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2ccc3c(c2)OC(F)(F)O3)c1C 39992488 YQQBKMJOMOGPAX-JTQLQIEISA-N 364.348 3.839 0 40 FHAB CCc1ccccc1N1C[C@H](C(=O)Nc2cccc3cccnc23)CC1=O 14184561 HMXLKCSUPUAOEJ-QGZVFWFLSA-N 359.429 3.789 0 40 FHAB Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 14267353 PGRDQXLRCJGUOV-UHFFFAOYSA-N 356.432 3.602 0 40 FHAB C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)c1ccccc1 5561533 GYMISQOTHSKEPP-WSXQUGQNSA-N 366.486 3.912 0 40 FHAB COc1ccc(NC(=O)Cc2c(C)c3ccc(OC)c(C)c3oc2=O)cc1 6660702 ZFCHUFMAJKESIF-UHFFFAOYSA-N 367.401 3.608 0 40 FHAB CN(C(=O)CSc1nncn1-c1cccc(Cl)c1)c1ccccc1 5891987 OWGWGSFJBRUDDR-UHFFFAOYSA-N 358.854 3.676 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 4933039 NHMOFPKEXGYAIU-HNNXBMFYSA-N 373.456 3.714 0 40 FHAB COc1c2cc(c(O)c1OC)CCCC[C@@H](O)CCc1ccc(O)c-2c1 5998680 SBGBAZQAEOWGFT-OAHLLOKOSA-N 358.434 3.802 0 40 FHAB biogenic,in-vitro CC[C@@H]1c2ccsc2CCN1CC(=O)Nc1ccc(OC)cc1OC 15547143 GZXLEZVAPUHWEU-MRXNPFEDSA-N 360.479 3.713 0 40 FHAB Cc1ccc([C@@H](CNC(=O)c2ccc(Br)o2)N2CCCC2)o1 15860263 SNHIRPQOZBUXFZ-GFCCVEGCSA-N 367.243 3.510 0 40 FHAB COc1ccc(CN(C)Cc2cc(=O)oc3cc(C)ccc23)c(OC)c1 9497658 YYERBWQXHRJTRM-UHFFFAOYSA-N 353.418 3.751 0 40 FHAB CC(=O)N[C@H]1C(=O)N(Cc2ccc(OC(C)C)cc2)c2c(C)cccc21 96300730 RECVFHJWORESAP-LJQANCHMSA-N 352.434 3.506 0 40 FHAB Cc1ccc(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)c(C)c1 7927249 SIDSRWKVIKNXIM-KRWDZBQOSA-N 358.507 3.985 0 40 FHAB Cc1cccc(-c2nnc([C@H](C)Sc3nnnn3C3CCCC3)o2)c1 8389145 RHAPCLVIIJLNCS-LBPRGKRZSA-N 356.455 4.000 0 40 FHAB Cc1c(C(=O)N2CCCC[C@H]2C(=O)N2CCCC2)sc2cccc(F)c12 84066768 ZMKRDZJUUUPVRP-HNNXBMFYSA-N 374.481 3.966 0 40 FHAB Clc1ccc([C@@H](CNc2nc3ccccc3o2)N2CCOCC2)cc1 84600423 GAIMLIXGLRKLMT-QGZVFWFLSA-N 357.841 3.967 0 40 FHAB CC(C)Oc1ccc(C(=O)N2CCC(c3ccnc(C(C)C)n3)CC2)cn1 95431190 KMQFAEGLDRTEDX-UHFFFAOYSA-N 368.481 3.802 0 40 FHAB O=C(/C=C/c1ccccc1)Nc1cc2[nH]c(O)nc2cc1Br 408536931 YHXYIESHXSHOHM-VOTSOKGWSA-N 358.195 3.683 0 40 FHAB O=C(Nc1ccccc1F)C1CCN(C(=O)c2ccccc2Cl)CC1 20611977 SUPDFPMLZVVAME-UHFFFAOYSA-N 360.816 3.970 0 40 FHAB Cc1ccc(F)cc1NC(=O)Cn1nc(COc2ccccc2)oc1=S 409164178 DNIDKDZRDVAHGF-UHFFFAOYSA-N 373.409 3.871 0 40 FHAB CCc1nnc(S/C(=C\c2cc(Cl)c(OC)c(OC)c2)C(=O)O)o1 214864084 IEMZBASLKVQTDG-XFFZJAGNSA-N 370.814 3.520 0 40 FHAB O=C(NC[C@@H](c1ccccc1)N1CCOCC1)N1CCCC12CCCCC2 535376944 MRHMTHFHOPJONC-FQEVSTJZSA-N 371.525 3.568 0 40 FHAB O=C(NCc1cc2c(cc1OC(F)F)OCO2)N[C@@H]1CC12CCCCC2 538873962 MQIAWFQQKKMEOR-OAHLLOKOSA-N 368.380 3.539 0 40 FHAB CSc1nc(Cl)cc(NCC2CCN(C(=O)OC(C)(C)C)CC2)n1 72203264 FZVIXHSDIOIQOX-UHFFFAOYSA-N 372.922 3.911 0 40 FHAB COC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2C)CC1 39745333 ADWJIFCPLGXUPE-UHFFFAOYSA-N 366.461 3.632 0 40 FHAB Cc1sc(C(=O)O)cc1CN1CCC(n2ccc(C(F)(F)F)n2)CC1 521634597 PXWSYQPOTZDPQF-UHFFFAOYSA-N 373.400 3.807 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)OCC(C)(C)CO3)cc1 225360946 NVIJAMUQEWMXOV-UHFFFAOYSA-N 354.406 3.695 0 40 FHAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccccc2)cc1OCC 222859776 AIXYSUAFFTUTFW-SFHVURJKSA-N 357.450 3.958 0 40 FHAB CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cn1 222755594 DHNYJTRPCXTOCC-DLBZAZTESA-N 369.881 3.523 0 40 FHAB COc1ccc(NC(=S)NCc2cccc(OC(C)C)c2)cc1OC 225523104 RUNHSRLGDUSQGV-UHFFFAOYSA-N 360.479 3.978 0 40 FHAB CCn1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)ccc21 225097928 FQYLTPRGUYRAAR-LLVKDONJSA-N 360.410 3.628 0 40 FHAB CN(Cc1ccc2c(c1)OCCO2)Cc1cc(Cl)cc2c1OCOC2 42367055 JEPASMYSCVKMGG-UHFFFAOYSA-N 361.825 3.610 0 40 FHAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1cccnc1 222831386 WGSOFOZVWJKAGT-HNNXBMFYSA-N 373.884 3.569 0 40 FHAB CC(C)c1ccc(NC(=O)Cn2nc(Cl)c3ccccc3c2=O)cc1 49544079 JMSXXLGTSIDUEF-UHFFFAOYSA-N 355.825 3.812 0 40 FHAB COc1ccc(OCCNC(=O)CSCc2ccc(Cl)cc2)cc1 46689520 XPPWHJXRBGARHT-UHFFFAOYSA-N 365.882 3.777 0 40 FHAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1 223719820 DPEOLPAPIPGCQF-SFHVURJKSA-N 364.489 3.705 0 40 FHAB C[C@@H]1CCc2sc(C(=O)Nc3cccnc3-c3cnn(C)c3)cc2C1 329421230 HOZDPWIXPMMLNE-GFCCVEGCSA-N 352.463 3.921 0 40 FHAB Cc1ccc(CN2CCC[C@]3(C[C@H](OCc4cccnc4)CO3)C2)s1 96209067 NGDDBTSICRPLHN-ICSRJNTNSA-N 358.507 3.792 0 40 FHAB COc1ccc(C(=O)C2CCN([C@@H](C(=O)O)c3ccccc3C)CC2)cc1 581315588 JVXIZQORVCCIMB-HXUWFJFHSA-N 367.445 3.724 0 40 FHAB O=C(N1CCCC[C@@H]1c1cc[nH]n1)C1(Cc2ccccc2)CCOCC1 257336767 YPYPFBUMWWBKFW-LJQANCHMSA-N 353.466 3.503 0 40 FHAB NC[C@@]1(c2ccccc2)CC[C@@H]2O[C@H](c3ccccc3)C[C@H](O)[C@H]2CC1 257332798 XYRKCUSFTCKVAD-QCBQRGATSA-N 351.490 3.964 0 40 FHAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 24692047 RAITVSVUJMCRHU-OAHLLOKOSA-N 353.422 3.771 0 40 FHAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@]1(O)CC[C@]2(O)c1ccoc1 271773232 AEAPORIZZWBIEX-JQYXQLKBSA-N 374.521 3.986 0 40 FHAB O=C(NCCC(c1ccccc1)c1ccccc1)c1cnn2c1OCCC2 90583787 ZLSBKUZSKRGMGZ-UHFFFAOYSA-N 361.445 3.618 0 40 FHAB CN(Cc1ccccc1)CC1CCN(C(=O)c2c[nH]c3cccnc23)CC1 621845098 BUNQBSGGFWUESH-UHFFFAOYSA-N 362.477 3.547 0 40 FHAB O=C(Cn1cncn1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 634532505 VGGVGHCCMNEUQZ-UHFFFAOYSA-N 361.430 3.707 0 40 FHAB O=C(NC1(Cc2cccc(Cl)c2)CC1)c1cc(C(F)(F)F)cnc1O 636000166 JQDMWPDUZLZIOK-UHFFFAOYSA-N 370.758 3.965 0 40 FHAB C=CC(=O)Nc1cccc(C(=O)Nc2cccc3c2OC(C)(C)C[C@@H]3O)c1 1304255740 GRQHIKPTQSOPES-KRWDZBQOSA-N 366.417 3.658 0 40 FHAB CCCCOc1ccc(C(=O)NC[C@@H](OC)c2cccc(OC)c2)cc1 96389977 GULXVJVLEHDWNA-HXUWFJFHSA-N 357.450 3.992 0 40 FHAB CCN1C(=O)CC[C@@H](C(=O)NCCc2ccccc2C)[C@@H]1c1ccccc1 585168465 HZFZUSCJIOKESO-IRLDBZIGSA-N 364.489 3.654 0 40 FHAB CC(C)Cn1ccc2cc(NC(=O)NCCc3nncn3C(C)C)ccc21 75105222 MLQIIULFSSDJJV-UHFFFAOYSA-N 368.485 3.834 0 40 FHAB CN(c1ccnc(-c2nccs2)n1)[C@H]1CCCN(Cc2ccccc2)C1 1559130357 FPHRTSODJCPMBX-KRWDZBQOSA-N 365.506 3.701 0 40 FHAB Cc1nc(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)co1 1615127518 QPLBMCFYXXGSHO-HXUWFJFHSA-N 357.429 3.786 0 40 FHAB CC1(C)C[C@]2(CCCN2C(=O)Cc2ccccn2)CN1c1cccc(F)c1 1615129954 XWVOXAMLXIDLIW-JOCHJYFZSA-N 367.468 3.813 0 40 FHAB COc1ccc(N(C)C(=O)Nc2ccc(-c3ccccc3F)nn2)cc1 1673657039 UURVQDBCAWUGGB-UHFFFAOYSA-N 352.369 3.960 0 40 FHAB Cc1cc(-c2cn[nH]c2[C@H]2CCCN(C(=O)[C@H](C)c3ccccc3)C2)on1 12087347 ACFLDUYLVUSCGB-WBVHZDCISA-N 364.449 3.883 0 40 FHAB Cc1nc(COc2ccccc2C(=O)N[C@H](C)c2ccc(F)cc2F)no1 12770297 FZHVZGFZMAMNFZ-LLVKDONJSA-N 373.359 3.726 0 40 FHAB O=C(Cc1ccsc1)N1CCN(Cc2csc3ccccc23)CC1 14083114 PBWBWNMXKIRKMN-UHFFFAOYSA-N 356.516 3.850 0 40 FHAB COc1cccc(CN2CCC[C@@H](c3nnsc3-c3cc(C)no3)C2)c1 19120780 HYLPOYYZBRRSBR-OAHLLOKOSA-N 370.478 3.890 0 40 FHAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Cn2nc(C)nc2C)c2ccccc12 19285891 GWQZSPRFJAMJBR-ZIAGYGMSSA-N 366.465 3.570 0 40 FHAB COc1ccccc1-c1csc(NC(=O)c2c3c(nn2C)CCCC3)n1 19288674 SMGICEQHAKWVAM-UHFFFAOYSA-N 368.462 3.683 0 40 FHAB CCC(=O)N1CC[C@](Cc2ccccc2-c2cccc(C)c2)(C(=O)NC)C1 19498453 WSLCUXOVJRIMRB-HSZRJFAPSA-N 364.489 3.579 0 40 FHAB CC(C)(C(=O)N(Cc1ccccn1)C[C@H]1CCCO1)c1cccc(F)c1 19666347 VGTAZXXFOCTFMJ-LJQANCHMSA-N 356.441 3.706 0 40 FHAB COC(=O)c1cc(S(=O)(=O)Nc2cc(C)ccc2C)ccc1Cl 156740631 LSSVBUAUZSXVFO-UHFFFAOYSA-N 353.827 3.544 0 40 FHAB O=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1CNc1ccccc1F 4655828 IHTKDPFQXICXGJ-LZYBPNLTSA-N 372.377 3.660 0 40 FHAB COc1ccc(CCNC(=O)NC[C@@H](OC)c2cc3ccccc3o2)cc1 244975170 IEUVYDMIWKOCRG-HXUWFJFHSA-N 368.433 3.671 0 40 FHAB COc1cc(C)c(C)cc1S(=O)(=O)NCC(C)(C)c1ccsc1 1565519151 FIJMJIDRVSYUNL-UHFFFAOYSA-N 353.509 3.630 0 40 FHAB CCOc1ccccc1NC(=O)c1cccn(Cc2ccccc2F)c1=O 5270367 PPRMIYBPKISDFB-UHFFFAOYSA-N 366.392 3.687 0 40 FHAB CCC[C@H](O)c1cc2c(cc1NC(=O)c1ccc(OC)cc1)OCCO2 20096364 BIQGFDNOTOQUKH-KRWDZBQOSA-N 357.406 3.552 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)N1[C@H]2CC[C@H]1CC(n1ccnn1)C2 1775968257 VKCCIWAIYARBRF-KBPBESRZSA-N 365.359 3.697 0 40 FHAB CCOc1ccc(NC(=O)NC[C@@](O)(c2ccsc2)c2ccco2)cc1 245026604 NCUHDYDNTJDWAX-LJQANCHMSA-N 372.446 3.797 0 40 FHAB Cc1cc2nc(C3CCN(CC[C@H](C)c4ccccc4)CC3)cc(N)n2n1 12121560 XCOBFKSDJJXMEF-INIZCTEOSA-N 363.509 3.993 0 40 FHAB O=C(Nc1ccc(-c2ccccc2)cn1)c1cn(Cc2ccccc2)nn1 40157571 FGASLHWXIAYJBO-UHFFFAOYSA-N 355.401 3.641 0 40 FHAB C[C@@H](C(=O)NCc1ccccc1)S(=O)(=O)Cc1ccc(C(C)(C)C)cc1 40106042 WCLLNTNEERHBAK-INIZCTEOSA-N 373.518 3.604 0 40 FHAB CCOc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3F)n[nH]2)cc1 51315853 QFEGVIJUEIWJLL-UHFFFAOYSA-N 357.360 3.684 0 40 FHAB Brc1cccc(CN2CCN(C[C@H]3C[C@H]4C=C[C@H]3C4)CC2)c1 101102797 SWYIISUVTWEOOY-RYQLBKOJSA-N 361.327 3.779 0 40 FHAB NC(=O)c1cccc(COC(=O)c2c[nH]cc2-c2ccc(Cl)s2)c1 52229787 XRNVUVAXXHSIOH-UHFFFAOYSA-N 360.822 3.853 0 40 FHAB C[C@H](NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1)[C@@H]1C[C@H]2CC[C@H]1C2 102609194 BBSVCYAZNREFTL-IMIFBBOLSA-N 355.404 3.720 0 40 FHAB CC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)N[C@H]1CCCC[C@@H]1C 32908147 OIIRIKGUEFDUCO-NHYWBVRUSA-N 361.511 3.652 0 40 FHAB CCOc1ccccc1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 652647 FRLNRFREWVWOFI-UHFFFAOYSA-N 353.344 3.817 0 40 FHAB COC(=O)c1c(NC(=O)C(C)C)sc(C(=O)Nc2cccc(C)c2)c1C 871991 JQHJFWZIAAGMDL-UHFFFAOYSA-N 374.462 3.998 0 40 FHAB CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2ccccc21 885375 YTDAUKKOPYBLBK-UHFFFAOYSA-N 355.419 3.516 0 40 FHAB CCn1c(SCC(=O)c2cc(OC)ccc2OC)nnc1-c1ccco1 1364687 CZTIOPXGVSDQNN-UHFFFAOYSA-N 373.434 3.550 0 40 FHAB C[C@](O)(CS(=O)(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1 1388747 VTCLYDWLZUTJSZ-INIZCTEOSA-N 358.381 3.528 0 40 FHAB CCCCCNC(=O)c1c(N)n(CCCC)c2nc3ccccc3nc12 2247636 KCTBFRUIVPFDCV-UHFFFAOYSA-N 353.470 3.887 0 40 FHAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(Br)s1 2464727 MFLPTNSPWVMAAU-UHFFFAOYSA-N 362.270 3.628 0 40 FHAB O=S(=O)(c1ccc(F)cc1)N1CCS[C@@H]1c1ccccc1Cl 2501352 SAEQDMFZWQJYGQ-OAHLLOKOSA-N 357.859 3.915 0 40 FHAB O=c1c(-c2ccc(O)cc2)coc2cc(OCCC3OCCCO3)ccc12 2576398 LIMBZXDUHRQLDR-UHFFFAOYSA-N 368.385 3.698 0 40 FHAB in-vitro CCOc1cc([C@@H]2c3c(C)n[nH]c3C(=O)N2c2ccc(C)cc2)ccc1O 4040178 SYCGSKDDMSLKCH-HXUWFJFHSA-N 363.417 3.881 0 40 FHAB CS(=O)(=O)c1nc2ccccc2n1Cc1ccc(C(F)(F)F)cc1 4304816 YXCPXXBVPSZJSV-UHFFFAOYSA-N 354.353 3.507 0 40 FHAB COc1ccc(NC(=O)[C@@H](Cc2cc(C)cc(C)c2)[C@@H](C)C(=O)O)cc1 4426772 LCTABTLCJSWZRG-BEFAXECRSA-N 355.434 3.830 0 40 FHAB COc1ccc(N2C[C@H](C(=O)Nc3ccc(C)c(Cl)c3)CC2=O)cc1 4674771 PUHVKBLYXRTIDA-CYBMUJFWSA-N 358.825 3.649 0 40 FHAB C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)OCC(F)(F)F)c1ccccc1 4689378 SHHRHMGWCHDCDR-CFVMTHIKSA-N 357.372 3.776 0 40 FHAB CS(=O)(=O)c1ccc(C(=O)Nc2nc3c(Cl)cccc3s2)cc1 5223206 IQLWPNQGKDFFSN-UHFFFAOYSA-N 366.851 3.606 0 40 FHAB O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1cccc2ccccc12 5339200 QQEKFXSTQDJKQG-UHFFFAOYSA-N 366.442 3.632 0 40 FHAB CCc1cccc(C)c1NC(=O)COC(=O)/C=C/c1cccc(OC)c1 5777930 HRBNPAOJWNEYTK-VAWYXSNFSA-N 353.418 3.761 0 40 FHAB Cc1cccc(C)c1OCc1nnc(SCC(=O)c2ccccc2)n1C 6302681 FJYFDOBNHIGBKT-UHFFFAOYSA-N 367.474 3.986 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc2c(c1)OCO2 6649332 OTNNWWOOEOWVDY-PKNBQFBNSA-N 366.417 3.597 0 40 FHAB COc1ccc(-n2c(S[C@@H]3CCCC3=O)nnc2-c2ccncc2)cc1 6784805 KQBCKCVGIYPGNJ-QGZVFWFLSA-N 366.446 3.552 0 40 FHAB CCCCOC(=O)CSc1nc2sccc2c(=O)n1-c1ccccc1 6907491 UOBDSOTUZBVGPN-UHFFFAOYSA-N 374.487 3.883 0 40 FHAB CCOC(=O)C[C@]1(c2ccc(OC)cc2)NN=C(c2ccc(C)cc2)S1 6955163 ZIGXSJBTURXCSS-FQEVSTJZSA-N 370.474 3.808 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(-c3ccccc3)[nH]n2)c1 7117784 BPDBGZRICPITOV-CYBMUJFWSA-N 351.406 3.585 0 40 FHAB C[C@@H]1CCC[C@H](NC(=O)CSc2nnc3sc4ccccc4n23)[C@@H]1C 7238779 RGNNLUFYIYXEMQ-UPJWGTAASA-N 374.535 3.977 0 40 FHAB Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(C(=O)N(C)C)cc1 7595298 UEZFDRSZQCPDMO-UHFFFAOYSA-N 354.450 3.838 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)N2CCCCC[C@H]2c2cccn2C)cc1 8156340 VOXLYDXPFTYSQI-IBGZPJMESA-N 360.479 3.534 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCCCCC3)c2)cc1 8181518 JVJSAPAQPVHNAA-UHFFFAOYSA-N 372.490 3.812 0 40 FHAB CS(=O)(=O)N1CCc2cc(-c3csc(-c4ccc(F)cc4)n3)ccc21 8225554 DHWCVILDUUSLOW-UHFFFAOYSA-N 374.462 3.938 0 40 FHAB Cc1cc(C(=O)CSc2nnc(C3CC3)o2)c(C)n1Cc1ccco1 8232382 XINOURSHFNBLCR-UHFFFAOYSA-N 357.435 3.982 0 40 FHAB CC(=O)N[C@H](CC(=O)N[C@H]1CCSc2ccccc21)c1ccccc1 8267991 QWXWGHIMZYGMNR-ZWKOTPCHSA-N 354.475 3.607 0 40 FHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2ccc(C)cc2C)c1 8369651 LEZIMFIUZVGUST-UHFFFAOYSA-N 356.378 3.521 0 40 FHAB O=C(Nc1c(-c2ccccc2)nc2ccccn12)[C@H]1COc2ccccc2O1 8710060 DBGYSJKVALCENE-GOSISDBHSA-N 371.396 3.780 0 40 FHAB O=S(=O)(c1ccc(Cl)s1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 8775884 SHHLDUWNUMVKLZ-GFCCVEGCSA-N 367.883 3.804 0 40 FHAB COC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(OC)cc3)sc2c1 8904261 NPGZKZYGWDWBBC-BJMVGYQFSA-N 368.414 3.743 0 40 FHAB CC(=O)c1cccc(OCC(=O)Nc2ccc(Br)cc2C)c1 8986898 ZSYPLDVPJLNFGP-UHFFFAOYSA-N 362.223 3.978 0 40 FHAB COc1cccc(NC(=O)NC[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 9040173 KWDGINDQXPWNQX-ZDUSSCGKSA-N 373.840 3.523 0 40 FHAB COc1ccc(CCc2nnc(NC(=O)Cc3cccs3)s2)cc1 9095435 PNNRDAILUVDGJA-UHFFFAOYSA-N 359.476 3.575 0 40 FHAB COc1ccc([C@@H](Nc2ncnc3sccc23)c2nccn2C)cc1 9115831 WZUCFQVYAGCRFI-OAHLLOKOSA-N 351.435 3.635 0 40 FHAB Cc1cc(C(=O)N(C[C@H]2CCCO2)c2nc3ccc(F)cc3s2)no1 9206859 HSILUGOCRLKALH-GFCCVEGCSA-N 361.398 3.558 0 40 FHAB COc1ccc(CCc2nnc(NC(=O)CCc3ccccc3)s2)cc1 9355792 CBGBOZGDAXTVTM-UHFFFAOYSA-N 367.474 3.903 0 40 FHAB Cc1cc(-c2nn3c(-c4ccc(Cl)cc4Cl)nnc3s2)[nH]n1 9421391 BBCXSRBQGFHRAC-UHFFFAOYSA-N 351.222 3.858 0 40 FHAB CCOC(=O)c1cnc2nc(-c3ccccc3)nn2c1-c1ccc(OC)cc1 10338685 ULYBXGWVDPIXAJ-UHFFFAOYSA-N 374.400 3.644 0 40 FHAB O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1cnccn1 11323301 HLIXIOOIDJJWAJ-UHFFFAOYSA-N 355.344 3.921 0 40 FHAB Cn1/c(=N\C(=O)c2ccc(Br)s2)sc2cccc(F)c21 11726445 CEVGHJFGOJMXKD-DTQAZKPQSA-N 371.256 3.944 0 40 FHAB Cc1ccccc1NC(=O)[C@H](C)N1CCC[C@H](C(=O)Nc2ccccc2)C1 12326910 OMRSGQRINMGSON-ROUUACIJSA-N 365.477 3.673 0 40 FHAB Cc1cccc(-n2c(SCCO)nnc2-c2c[nH]c3ccccc23)c1 12534137 KLMFPJVNDHZBJL-UHFFFAOYSA-N 350.447 3.808 0 40 FHAB COc1cccc([C@@H]2NC(=O)c3sc4nc(C)cc(C)c4c3N2)c1OC 12609524 RFVLDZDVTOYNIM-KRWDZBQOSA-N 369.446 3.784 0 40 FHAB CCNc1nnc(S[C@@H](C(=O)N(CC)CC)c2ccccc2)s1 12730377 BTMBCJXYSLROEB-CYBMUJFWSA-N 350.513 3.672 0 40 FHAB Cc1cn2c(CC(=O)Nc3ccc(Br)cc3C)csc2n1 12741184 BLEKFMHUDWEFTA-UHFFFAOYSA-N 364.268 3.956 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2C(=O)O)cc1 13078352 HQIBHVHULZHCAW-UHFFFAOYSA-N 359.325 3.513 0 40 FHAB Cc1nc2sc([C@H](c3cccs3)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 13133230 DUJNAGSMLZWJSU-WDMOLILDSA-N 362.524 3.934 0 40 FHAB CC(C)(C)c1ccc(-c2noc(CNC(=O)COc3ccccc3)n2)cc1 13495052 FAZBYKLNYJRXAR-UHFFFAOYSA-N 365.433 3.729 0 40 FHAB Cc1c(C(=O)N2N=C2SCCOc2ccccc2)sc(=S)n1C 13689385 ORUAZCIGDDOCCE-UHFFFAOYSA-N 365.505 3.664 0 40 FHAB CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccc(F)c1 13956274 JOPOYTCLOVUZEU-UHFFFAOYSA-N 374.416 3.974 0 40 FHAB O=C(Nc1cccc(Cl)c1)c1ccc(=O)n(Cc2cccc(F)c2)c1 15882921 GCJPWCPGUQWQSB-UHFFFAOYSA-N 356.784 3.941 0 40 FHAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)c1C 16994397 SKDQLSQMRDJJOI-UHFFFAOYSA-N 358.463 3.606 0 40 FHAB CCOC(=O)[C@@H]1CCCN(C(=S)Nc2ccc(C(F)(F)F)cc2)C1 17074209 IHGAPDNNQBQGMK-LLVKDONJSA-N 360.401 3.677 0 40 FHAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2Cl)c1 20104915 KAGOYTGSAVWLSZ-UHFFFAOYSA-N 359.234 3.617 0 40 FHAB CCOc1ccc(NC(=O)c2cn(C)c3ccc(OCC)cc3c2=O)cc1 22237245 HQHMGADWOKZRTQ-UHFFFAOYSA-N 366.417 3.588 0 40 FHAB CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1 23078446 CUIUGCOOLYATSK-GFCCVEGCSA-N 373.280 3.597 0 40 FHAB Cn1ccnc1[C@H](NC(=O)CCCc1cccs1)c1cccc(F)c1 23779855 BDLALKNZUWBCPW-GOSISDBHSA-N 357.454 3.849 0 40 FHAB Cc1nc2ccccc2nc1SCC(=O)NCCc1ccc(F)cc1 24716380 ZJDUTUCFVPRYDI-UHFFFAOYSA-N 355.438 3.528 0 40 FHAB Cc1cc(C(=O)NCc2ccccc2C(F)(F)F)c2c(C)nn(C)c2n1 28575687 IYJUUCGPRJWJAE-UHFFFAOYSA-N 362.355 3.534 0 40 FHAB O=C(NCc1ccccc1CN1CCCC1=O)c1cc(Cl)ccc1F 32787576 BXYNMIMWNUKFGL-UHFFFAOYSA-N 360.816 3.532 0 40 FHAB CC(C)c1ccc(-c2nnn(CCC(=O)Nc3cccc(F)c3)n2)cc1 32871147 WNHBOSSQZYQPEM-UHFFFAOYSA-N 353.401 3.631 0 40 FHAB CCC(=O)Nc1ccccc1SCc1cc(=O)n2cc(C)ccc2n1 33025897 YTJVIYVWRYEYAN-UHFFFAOYSA-N 353.447 3.644 0 40 FHAB COC(=O)c1sccc1NC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 35476512 BSPUNCOBOPQGGC-OAHLLOKOSA-N 360.435 3.912 0 40 FHAB COc1ccc(OC)c(CNC(=O)CO[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1 36390150 SPEVKMSWWCANLF-ZAAXVRCTSA-N 363.498 3.797 0 40 FHAB CCOc1cc(CN[C@@H](C)CC)ccc1OCC(=O)NC1CCCCC1 36612911 XSBZHFNBRLKFKT-INIZCTEOSA-N 362.514 3.801 0 40 FHAB CCOC(=O)c1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)nc1C 36831381 LRWDWPIVGXEKOB-UHFFFAOYSA-N 356.466 3.513 0 40 FHAB O=C(OCc1ccccn1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 37108804 OVRGVBQPULOXNP-FQEVSTJZSA-N 359.381 3.893 0 40 FHAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)sc1C(=O)O 37225800 UHJWJLRVVWQUPT-UHFFFAOYSA-N 366.247 3.862 0 40 FHAB Cc1ccc(NC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)cc1 40128153 NEMWDTHKLXGOMP-UHFFFAOYSA-N 355.419 3.786 0 40 FHAB O=C(c1ccc(Cl)cc1)N1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21 40386315 UDIQGYSPUFDYNQ-QGZVFWFLSA-N 368.820 3.522 0 40 FHAB O=C(NCCNC(=O)c1ccccc1)Nc1cc(Cl)cc(Cl)c1 43176892 AJFUTUFJKGWYPM-UHFFFAOYSA-N 352.221 3.545 0 40 FHAB Cc1cccc(CSCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 45903767 KDJUAWBOFQXPMZ-HNNXBMFYSA-N 357.475 3.877 0 40 FHAB Cn1cnnc1[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C1 48303395 LEIXMUKRGNCCME-CQSZACIVSA-N 370.453 3.703 0 40 FHAB COC(=O)Nc1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 54247619 UOTDESZXZIILOM-UHFFFAOYSA-N 368.311 3.901 0 40 FHAB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(Cc1cccnc1)CO3 57099727 GZIUSXOGGINGRV-UHFFFAOYSA-N 356.809 3.810 0 40 FHAB Cc1oc(C)c(C(=O)NCc2cccc(NC(=O)c3ccccn3)c2)c1C 58160040 STDBJZQTMYUWBE-UHFFFAOYSA-N 363.417 3.782 0 40 FHAB COc1ccc(C2(c3nc(-c4cccc(F)c4)no3)CCOCC2)cc1 70017792 ZJJKTJCWRYDWMM-UHFFFAOYSA-N 354.381 3.981 0 40 FHAB CCc1nccn1-c1nccnc1C1CCN(Cc2ccc(F)cc2)CC1 72350505 FAPMEODZERTBNO-UHFFFAOYSA-N 365.456 3.743 0 40 FHAB CCc1cc(N[C@@H](C)[C@H](O)c2ccc(F)cc2)nc(-c2ccncc2)n1 78620182 QZKIQZKVXDHINO-DJJJIMSYSA-N 352.413 3.774 0 40 FHAB COc1ccc([C@H](C)NC(=O)c2cc3ccc(OC)cc3[nH]2)c(OC)c1 84651690 YYWMGSXWIPKNTG-LBPRGKRZSA-N 354.406 3.685 0 40 FHAB Cc1csc(CNc2cc(S(=O)(=O)N3CCCCC3)ccc2C)n1 88522690 BJUXCEYAAGEVNH-UHFFFAOYSA-N 365.524 3.547 0 40 FHAB CCOc1ccccc1[C@@H]1CC(c2ccc(OC)cc2OC)=NN1C(C)=O 89271919 FCMLDCIURBEQMU-IBGZPJMESA-N 368.433 3.800 0 40 FHAB O=C(Nc1nc(-c2cccnc2)cs1)c1cnc([C@H]2CCCO2)s1 89643503 IVZDGBIAMHDSFY-GFCCVEGCSA-N 358.448 3.765 0 40 FHAB C[C@@H]1C[C@@H](Nc2ccccc2N2CCC(O)CC2)CN1Cc1ccccc1 95997205 GLCWBGLYXDCCKI-UYAOXDASSA-N 365.521 3.723 0 40 FHAB O=C(CCSc1ccccc1)NCCn1ccc(-c2cccs2)n1 96103836 AZYGCYHVVAGUOB-UHFFFAOYSA-N 357.504 3.910 0 40 FHAB CCc1ccccc1NS(=O)(=O)c1ccc(Br)cc1F 96170879 YOVSEMZYVYQAEH-UHFFFAOYSA-N 358.232 3.951 0 40 FHAB COC(=O)[C@]1(C)[C@@H]2[C@H]3[C@@H]4[C@H]1[C@H]1CCC[C@@H]1[C@H]4[C@@]1(C)C(=O)[C@@H]4CC[C@@H]2[C@H]4[C@@H]31 104294852 LNDZSDRDRJRABD-CMGQRYFPSA-N 354.490 3.565 0 40 FHAB C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc(-n2ccnc2)nc1 107853752 GASAWFJOPOXFTN-OAHLLOKOSA-N 364.449 3.971 0 40 FHAB CC(C)(C)SCCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 112634410 VTGKVVDWLOSXGT-VKAVYKQESA-N 372.490 3.698 0 40 FHAB COC(=O)CN(C(=O)c1oc(-c2ccccc2)nc1C)c1cccc(F)c1 176962773 LZGKDBNRQCEMNL-UHFFFAOYSA-N 368.364 3.609 0 40 FHAB O=C(CCc1ccccc1F)NC[C@H]1CCCN1c1nc2ccccc2o1 206772819 IRCVAAGQQMBCEO-MRXNPFEDSA-N 367.424 3.685 0 40 FHAB O=C(C1c2ccccc2Oc2ccccc21)N1CC(Oc2nccs2)C1 208030763 GKBRMLAFWCTGKK-UHFFFAOYSA-N 364.426 3.671 0 40 FHAB CC[C@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc(OC)c(C)c1 224633534 RHDKVRHIRJCTSV-FQEVSTJZSA-N 368.477 3.721 0 40 FHAB CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224821944 DAIPTFTWJKVEOL-UHFFFAOYSA-N 361.463 3.796 0 40 FHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1C 225011934 CRJMGNVSHZKVQD-MOPGFXCFSA-N 366.505 3.870 0 40 FHAB Cc1ccc(N2N[C@@](C)(c3ccccc3Br)NC2=S)cc1 225343963 OXTBJLKMFDRONV-INIZCTEOSA-N 362.296 3.830 0 40 FHAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1 225458378 XFEXSZPETQAEGZ-GHTZIAJQSA-N 366.505 3.951 0 40 FHAB CC(=O)c1ccc(CCNC(=O)c2cc(Br)cs2)s1 225672487 ZCMBEDUAQSPYSD-UHFFFAOYSA-N 358.282 3.747 0 40 FHAB O=C(NC[C@](O)(c1ccoc1)c1cccs1)c1ccc2ncsc2c1 238929685 UYTBNZULIFECKV-SFHVURJKSA-N 370.455 3.617 0 40 FHAB Cc1ccc(O[C@@H]2CCN(C(=O)CCC(=O)c3ccc(Cl)cc3)C2)nc1 238976101 ZUXUFRCBCQDAPG-QGZVFWFLSA-N 372.852 3.686 0 40 FHAB CCN1C(=O)CC[C@@H](C(=O)NCc2ccc(F)cc2)[C@@H]1c1ccccc1F 257266858 MEWIQNBMIUCCKN-XLIONFOSSA-N 372.415 3.581 0 40 FHAB CNc1nc([C@@H]2CCCN2C(=O)c2ccc3ccccc3n2)cn2cccc12 257321270 WAXCMZQOPIDEQA-IBGZPJMESA-N 371.444 3.902 0 40 FHAB O=C(c1ccc2c(n1)CCCC2)N1C[C@@H](n2cccn2)Cc2ccccc21 333435732 IQMUIFVPMMFQOD-SFHVURJKSA-N 358.445 3.601 0 40 FHAB CCOc1ccc(Cl)cc1/C=C1\SC(=O)N(CCCOC)C1=O 409221541 RTLJXTBOZHGIKC-UVTDQMKNSA-N 355.843 3.812 0 40 FHAB C[C@H]1C[C@H](NC(=O)NCc2ccc(CN3CCCC[C@@H]3C)cc2)C[C@@H](C)O1 535045675 IBERYEJRZCXYBW-UGNRZPKXSA-N 373.541 3.816 0 40 FHAB O=C(CCc1ccc[nH]1)N1CC[C@@H](OCC2CC2)[C@H](Cc2ccccc2)C1 585113405 BQDTYRYPKDYCBR-IFMALSPDSA-N 366.505 3.834 0 40 FHAB O=C(NC[C@@H](c1ccsc1)c1ccco1)c1ccc2nsnc2c1 618257074 QIMAPJYKWLBIOK-ZDUSSCGKSA-N 355.444 3.908 0 40 FHAB CC[C@@H](C)[C@H](C)C(=O)N(C)CCN(C)C(=O)C12CC(C(C)(C)C)(C1)C2 1615612334 WPOUWAQMINLSAO-SHEVMCDFSA-N 350.547 3.802 0 40 FHAB Fc1cc(CNc2cccc(Oc3cnccn3)c2)ccc1-n1cncn1 1655339303 WCHPOEIEHYYRSV-UHFFFAOYSA-N 362.368 3.601 0 40 FHAB COC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 1003847 UITKWWOGGSSXFX-UHFFFAOYSA-N 370.474 3.898 0 40 FHAB Nc1nc2n(n1)[C@H](c1ccccc1)C[C@@H](c1ccc(Br)cc1)N2 2472041 JXALDTRWDJNKEN-GJZGRUSLSA-N 370.254 3.769 0 40 FHAB C[C@H]1CCc2c(sc(NC(=O)Cc3ccc(Cl)cc3)c2C(N)=O)C1 2734416 RKHWVNBHUONEAC-JTQLQIEISA-N 362.882 3.806 0 40 FHAB CCc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)OC)c3N2)s1 2776747 SQKYMRWBOYCNHA-ZYHUDNBSSA-N 359.373 3.954 0 40 FHAB CNc1oc(Cc2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1 3178230 DDKGLRCFSHULDW-UHFFFAOYSA-N 362.838 3.793 0 40 FHAB aggregator COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)/C=C/c1ccco1 3230309 LNJCWLSNQLHXBT-CSKARUKUSA-N 357.406 3.781 0 40 FHAB CCOC(=O)c1sc(NC(=O)c2ccc(C(F)(F)F)cc2)nc1C 3428278 MKBCCQAQVKYGBI-UHFFFAOYSA-N 358.341 3.899 0 40 FHAB CC(C)Cn1c(SCC(=O)Nc2ccccc2)nc2ccccc2c1=O 4539007 GHIDALJBMZDQDB-UHFFFAOYSA-N 367.474 3.783 0 40 FHAB CCn1nc(/C=C/c2ccc(OC)c(OC)c2)nc1-c1ccccc1O 4786681 ZUASXELPEBZKSY-ZRDIBKRKSA-N 351.406 3.858 0 40 FHAB COc1ccc([C@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2C)cc1OC 4909197 ICOXQZMZBCTGCW-FQEVSTJZSA-N 363.417 3.577 0 40 FHAB CCc1ccc(NC(=O)Cn2c(C(=O)OC(C)C)cc3c2ccn3C)cc1 5001238 XTNYPGRRDXFKMM-UHFFFAOYSA-N 367.449 3.746 0 40 FHAB O=C(COC(=O)c1cc2ccccc2[nH]1)Nc1cccc(Br)c1 5037184 SCFURIOIOBWLLD-UHFFFAOYSA-N 373.206 3.726 0 40 FHAB C[C@H]1CCCCN1Cc1nc2c3c4c(sc3ncn2n1)COC(C)(C)C4 5340825 ZXFQKFFQXIFMEZ-LBPRGKRZSA-N 371.510 3.565 0 40 FHAB C[C@@H](CO)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 5527847 MUVIHHZJXBTCQE-AWEZNQCLSA-N 368.458 3.598 0 40 FHAB COc1ccc(-c2noc(CCC(=O)Nc3ccccc3Cl)n2)cc1 5562374 LJNIFKMCJLXWRY-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB Cc1cccc(NC(=O)CCNC(=O)c2ccc(Br)cc2)c1 5703992 KZZPJFLMXSSXOM-UHFFFAOYSA-N 361.239 3.516 0 40 FHAB O=C(Cc1cccc2ccccc12)OCC(=O)N1CCCc2ccccc21 5714781 ULIJKJNIMIYPPW-UHFFFAOYSA-N 359.425 3.905 0 40 FHAB COc1ccc(C(=O)Nc2ccc(Br)cc2)c(OC)c1OC 6338769 ZJBUQMNBNRIETR-UHFFFAOYSA-N 366.211 3.727 0 40 FHAB COc1ccc(C(=O)OCC(=O)Nc2c(C)cccc2C(C)C)c(O)c1 6545930 QNFRQQLXOHZWAJ-UHFFFAOYSA-N 357.406 3.628 0 40 FHAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(Oc3ccccc3)cc1)CS2 7670086 QLIYJMJVPOGRCY-FXAWDEMLSA-N 368.458 3.871 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(-c2ccc(C=O)o2)cc1 8268366 PFQWYMOKXAXLLO-KSSFIOAISA-N 369.417 3.611 0 40 FHAB O=C(NCCOc1ccc2ccccc2c1)c1cccc(N2CCCC2=O)c1 8313193 IERUHPFGXNQVHB-UHFFFAOYSA-N 374.440 3.775 0 40 FHAB CCc1ccccc1NC(=O)CNC(=O)c1csc(-c2ccccc2)n1 8366715 OOOJAQPBBBCAQN-UHFFFAOYSA-N 365.458 3.741 0 40 FHAB C[C@@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1ccc(Cl)c(Cl)c1 8992346 DWMXPHCUZPLOQU-SSDOTTSWSA-N 368.249 3.779 0 40 FHAB CC(C)C(=O)N1CCc2ccc(NC(=O)CCc3ccccc3)cc2C1 9035920 HICFZMOMAJKCDM-UHFFFAOYSA-N 350.462 3.799 0 40 FHAB COC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1 9062613 DMGCMSUCPCDJER-UHFFFAOYSA-N 366.461 3.632 0 40 FHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(NC(C)=O)s2)c1 10037341 TXJGWMIONJUPPQ-OAHLLOKOSA-N 374.462 3.701 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1ncnc2c1cnn2C 11681778 ZLAPYDVHFBSDNX-LLVKDONJSA-N 351.435 3.517 0 40 FHAB Cc1nc2oc3c(=O)n(CCc4ccccc4)cnc3c2c2c1CCCC2 12324490 QBYYEQCUDJZFKD-UHFFFAOYSA-N 359.429 3.968 0 40 FHAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(C)c(-n3cccc3)c2)cc1 12527918 IZEQPSRXFCIJKP-UHFFFAOYSA-N 361.445 3.805 0 40 FHAB C[C@H](Nc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cn1 12592666 XRUUOZXUQSBFMP-VIFPVBQESA-N 354.635 3.937 0 40 FHAB O=C(COc1c(Cl)cccc1Cl)c1c[nH]c(C(=O)N2CCCC2)c1 12598877 FROHUORUWPUESX-UHFFFAOYSA-N 367.232 3.819 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)c2ccccc2OC[C@H]2CCCO2)c1 12819501 GXGQFHSLWGBBDB-MRXNPFEDSA-N 369.417 3.592 0 40 FHAB CCOc1ccccc1CCC(=O)N(C)CC(=O)Nc1cccc(C)c1C 12846178 RYAOBGWATJAKCT-UHFFFAOYSA-N 368.477 3.732 0 40 FHAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1nc2c(s1)CCC2 12862107 JVFOTQIYDJRNES-VIFPVBQESA-N 367.268 3.800 0 40 FHAB Cc1ccc(NC(=O)NCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 12865598 GHNARZYNDSRZGE-MRXNPFEDSA-N 365.477 3.873 0 40 FHAB Cc1cc(C)c(NC(=O)CNC(=O)c2cc3c(s2)CCCC3)c(C)c1 12988678 GYGWCFYNQMSMEN-UHFFFAOYSA-N 356.491 3.921 0 40 FHAB COc1ccc(NC(=O)COc2cc(Cl)ccc2C(=O)O)cc1Cl 13085230 SPWJHTUFZHJYNR-UHFFFAOYSA-N 370.188 3.718 0 40 FHAB CCc1ccc(S(=O)(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)cc1 13112307 HAJLSVZWWIZPKO-TZIWHRDSSA-N 370.518 3.554 0 40 FHAB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccco3)[C@@H]2C1=O 13143508 GDRZUJHCHDPAKO-UFYCRDLUSA-N 374.396 3.639 0 40 FHAB CC(C)(C)C(=O)N1CCc2ccc(NS(=O)(=O)Cc3ccccc3)cc21 13696544 OYKRHWMGXBAZFW-UHFFFAOYSA-N 372.490 3.564 0 40 FHAB COc1ccc(C(=O)Nc2ccccc2OCC(F)(F)F)cc1OC 14127475 JZOBGRPQTVNXGX-UHFFFAOYSA-N 355.312 3.897 0 40 FHAB C[C@@H](NC(=O)CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1F 14200388 OPDNNGZSYGLGSI-CYBMUJFWSA-N 368.383 3.725 0 40 FHAB Cc1cc2ccccc2n1CC(=O)NC1CCN(Cc2ccccc2)CC1 15425587 OJCNETZEUYANCX-UHFFFAOYSA-N 361.489 3.731 0 40 FHAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1cccc2ncccc12 15980179 CTNXLJLKLABMNN-UHFFFAOYSA-N 362.385 3.608 0 40 FHAB CNc1ncc(-c2nnnn2-c2ccc(Cl)cc2)c(-c2cccs2)n1 16189496 WZCBJXNIDAHBBR-UHFFFAOYSA-N 369.841 3.543 0 40 FHAB CC[C@@H](CNC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21)c1ccccc1 16261505 HPURFZJPPVDZPZ-SJORKVTESA-N 366.461 3.501 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCCC1=CCCCC1 17335286 IUTMGZYFRNAXRH-UHFFFAOYSA-N 351.450 3.679 0 40 FHAB Cc1ccnn1C[C@H](C)C(=O)NC[C@@H](c1cccs1)N1CCCCCC1 19238339 MEZQQAFZRJMDBK-WMZOPIPTSA-N 374.554 3.623 0 40 FHAB COc1ccc(CN(Cc2cncn2C)C2CC(C)(C)NC(C)(C)C2)cc1 19461009 CAKFBVYHRQSLEY-UHFFFAOYSA-N 370.541 3.740 0 40 FHAB COc1ccc(C(=O)N2CC[C@H](c3cc4ccccc4cn3)C2)c(OC)c1 19551872 SDSKZBRLQIUVMS-KRWDZBQOSA-N 362.429 3.882 0 40 FHAB Cc1nn(C[C@@H](C)C(=O)Nc2cccc(CN3CCCC3)c2)c(C)c1C 19557005 KIBRCUFPGMSWJY-OAHLLOKOSA-N 354.498 3.679 0 40 FHAB CCn1c(C)nc2cc(NC(=O)Cn3c(=O)cc(C)c4ccccc43)ccc21 19657136 ACEUOEJKDKMWCN-UHFFFAOYSA-N 374.444 3.627 0 40 FHAB Cc1cccc(C)c1NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O 19937598 RTAGNAIJYGHLLX-UHFFFAOYSA-N 367.836 3.888 0 40 FHAB C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(Cc2ccccc2)CC1 20311867 WUHZWXWMGNXTCB-IBGZPJMESA-N 374.484 3.952 0 40 FHAB FC(F)(F)c1ccc(N2CCN(C(=S)Nc3ccccc3)CC2)nc1 20664539 JJDYYRYOZNBPAS-UHFFFAOYSA-N 366.412 3.619 0 40 FHAB COc1cccc(NC(=O)[C@H]2CC(O)=Nc3cc(-c4ccccc4)nn32)c1 20723174 YMDJPGCBQRXJJQ-QGZVFWFLSA-N 362.389 3.730 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cccnc2SCC(F)(F)F)cc1 22522493 XWRRMPCVYKAQFS-UHFFFAOYSA-N 369.368 3.947 0 40 FHAB Cc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(C)n1C[C@H]1CCCO1 25363348 XQXYBXSONGNAHT-WAFWZSCLSA-N 369.490 3.569 0 40 FHAB Cc1cc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c(C)cc1Br 27824090 RNZAVOPWXKJEMT-PHIMTYICSA-N 360.317 3.733 0 40 FHAB CCc1cc(C(N)=O)c(NC(=O)Nc2cc(Cl)ccc2OC)s1 27933557 FHUYMFWJNFXJFZ-UHFFFAOYSA-N 353.831 3.715 0 40 FHAB Cc1cccc(OCC(=O)NCCc2csc(-c3ccccc3)n2)c1 27992555 YRCDZWUTIFDAGG-UHFFFAOYSA-N 352.459 3.856 0 40 FHAB COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)cc1F 30333678 ZSWFOWIGPBXGAI-KRWDZBQOSA-N 351.443 3.900 0 40 FHAB O=C(N[C@H](c1ccccc1)C1CC1)[C@H]1CCCN(C(=O)c2cccs2)C1 32760253 IASUYYHBLWGVKN-PKOBYXMFSA-N 368.502 3.868 0 40 FHAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1c[nH]c2ccccc2c1=O 32820962 QKPJTPWBUXGNTI-MRXNPFEDSA-N 354.406 3.634 0 40 FHAB CC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)NCC1CCCCC1 32908126 YQBJMTSXJNKESS-UHFFFAOYSA-N 361.511 3.654 0 40 FHAB CCN1CCN(c2ccc(NC(=O)c3c(C)oc(C)c3C)cc2C)CC1 33239202 KPYDWESKZOEWLN-UHFFFAOYSA-N 355.482 3.907 0 40 FHAB CC(C)(C)OC(=O)NC1CCN(C(=O)c2cccc3ccccc23)CC1 40119483 UAXUIJGIHAMRLF-UHFFFAOYSA-N 354.450 3.969 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)c2c(C)nn(C(C)(C)C)c2C)c1 40144202 SRBDZCVCTANYNL-LBPRGKRZSA-N 359.470 3.763 0 40 FHAB CC(C)(C)OC(=O)N[C@H]1CCCN(c2nc3ccccc3nc2Cl)C1 40434364 BIVNXCLFVVVPGD-LBPRGKRZSA-N 362.861 3.777 0 40 FHAB Cc1nc(CSCC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)no1 45706151 QARGMOXMUXTRHO-CQSZACIVSA-N 351.859 3.628 0 40 FHAB Cc1nc(COc2ccc(C(=O)N3CCCc4cc(F)ccc43)cc2)no1 46295340 ZXECEMLPWKEEBM-UHFFFAOYSA-N 367.380 3.689 0 40 FHAB Cc1ccc(SCCC(=O)NCCc2c(C)nc3n2CCCC3)cc1C 48236288 KURVBOZXLOCNSI-UHFFFAOYSA-N 371.550 3.986 0 40 FHAB COc1ccc(CCC(=O)NCCc2ccc(OC(F)(F)F)cc2)cc1 48353633 IHGKIKOWXBQAMY-UHFFFAOYSA-N 367.367 3.885 0 40 FHAB CCN(C[C@H]1CCOC1)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 56982680 RWDBVDHPGDQJQR-GFCCVEGCSA-N 368.264 3.678 0 40 FHAB Clc1cccc(N2CCN(Cc3nc(-c4cccs4)no3)CC2)c1 57293288 DMSQGRQVSSPMGX-UHFFFAOYSA-N 360.870 3.774 0 40 FHAB Cc1ccccc1-n1cnnc1SCc1cccc(C(=O)N(C)C)c1 58209372 IBULFBKJHKDGHZ-UHFFFAOYSA-N 352.463 3.570 0 40 FHAB CCC[C@@H](C)C(=O)Nc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1 59307075 SRSNDSSFSOXMAG-CQSZACIVSA-N 365.433 3.660 0 40 FHAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3cccc(C(F)(F)F)c3)C2=O)o1 60346131 VITUUIBAUNNNMD-MRXNPFEDSA-N 352.312 3.574 0 40 FHAB COc1cc(C)cc2c1OCC[C@@H]2NC(=O)Nc1cccc(C(C)=O)c1 60358418 PMQIFAAIXAKEGP-KRWDZBQOSA-N 354.406 3.852 0 40 FHAB COc1ccc2cc([C@@H]3CC(O)=Nc4c3cnn4C(C)(C)C)c(=O)[nH]c2c1 61720458 YNEPEXYGGIPSAZ-ZDUSSCGKSA-N 366.421 3.612 0 40 FHAB CCc1oc2ccccc2c1/C=C/C(=O)N1CCC[C@@H](C2OCCO2)C1 69266518 CIYHXSZGYDOKJI-BOLDSZDNSA-N 355.434 3.620 0 40 FHAB CS(=O)(=O)Cc1ccccc1NC(=O)N1CCC[C@H]1c1cccs1 69820918 SVRYCGDFWZZDJF-HNNXBMFYSA-N 364.492 3.662 0 40 FHAB CCn1ccc2cc(NC(=O)c3cc(OC)c(OC)cc3OC)ccc21 69925473 ZHSBENWIXPTFDF-UHFFFAOYSA-N 354.406 3.939 0 40 FHAB COc1ccc(CNC(=O)N(CCc2cccs2)C2CC2)cc1OC 75154841 BUNQRVRDFLKDOG-UHFFFAOYSA-N 360.479 3.682 0 40 FHAB CCc1ccc([C@@H](C)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 78710442 VYWGZSQKNOBEOT-HZPDHXFCSA-N 360.523 3.911 0 40 FHAB CC1(C)C[C@H](C(=O)Nc2ccc3c(c2)C(O)=Nc2cccnc2O3)CCO1 79484944 GZBRAFGIDFEPAA-GFCCVEGCSA-N 367.405 3.967 0 40 FHAB Cc1nc(-c2ncccn2)sc1C(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F 84064806 GNWFBYVXCRVMLY-QWRGUYRKSA-N 370.400 3.759 0 40 FHAB Cc1ncsc1C(=O)Nc1sc(C)c(-c2ccccc2)c1C(N)=O 84065643 LLXYBPRKEGOUIZ-UHFFFAOYSA-N 357.460 3.840 0 40 FHAB C[C@H]1[C@@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 86255956 KVCDRFYMLTZBJM-KBPBESRZSA-N 351.402 3.731 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)cc1Cl 89643358 SSIWIWPXHBTIBX-OAHLLOKOSA-N 353.875 3.514 0 40 FHAB Cc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)c2ccc(F)cc2)s1 95461934 IVJIMOMRKMBDSV-MRXNPFEDSA-N 371.499 3.576 0 40 FHAB Cc1n[nH]c(C)c1[C@@H](C)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 95956573 PGWPGHBSEXZLGG-FZKQIMNGSA-N 374.916 3.737 0 40 FHAB O=C(c1ccc[nH]1)N1CCC2(CC1)C[C@H](c1cncnc1)c1ccccc12 96079288 HVOHACJWBNVHOJ-GOSISDBHSA-N 358.445 3.514 0 40 FHAB O=C1C[C@H](c2ccc(F)cc2)Cc2c1cnc1[nH]n(-c3ccccc3)c(=O)c21 100130371 MBTDRCJQELHSLO-CQSZACIVSA-N 373.387 3.766 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)COc2cc(C)cc(C)c2C)cc1 218967811 XRZVYANVSWJXPS-INIZCTEOSA-N 357.450 3.583 0 40 FHAB O=S(=O)(c1ccc(Cl)s1)N1CCS[C@@H](c2ccco2)CC1 219443091 OOJDVWULILYDAE-LLVKDONJSA-N 363.913 3.863 0 40 FHAB CC(C)c1ccccc1OCC(=O)N1CCN(Cc2ccccc2)CC1 222805403 DICFJJVGUGRYNU-UHFFFAOYSA-N 352.478 3.533 0 40 FHAB Cc1ccccc1CS(=O)(=O)NCCOc1ccc2ccccc2c1 223610614 GAFSLIBFXRZYKF-UHFFFAOYSA-N 355.459 3.647 0 40 FHAB Cc1ccc(NC(=O)NCc2ccnc(N3CCCCC3)n2)cc1Cl 224209730 RLLKKASQOBLAFE-UHFFFAOYSA-N 359.861 3.750 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 224227752 HQEUKJIDKBAHHF-OAQYLSRUSA-N 366.505 3.871 0 40 FHAB CCOc1ccc(C(=O)NCc2cccc(CN3CCCC3)c2)cc1C 224637834 XAXJBRPQFVKWQM-UHFFFAOYSA-N 352.478 3.920 0 40 FHAB O=C(NCCSC1CCCC1)C1CCN(Cc2ccc(F)cc2)CC1 225112710 SPDFKEIWVZJRPF-UHFFFAOYSA-N 364.530 3.830 0 40 FHAB CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCC2)cc1 225607211 AONXWDROEINXHG-NRFANRHFSA-N 362.514 3.941 0 40 FHAB COc1ccc(NC(=S)NCCCSCc2ccccc2F)cn1 225613861 XIRNZJDINGIDJX-UHFFFAOYSA-N 365.499 3.839 0 40 FHAB O=S(=O)(c1ccc(Cl)cc1)[C@H]1[C@H](CO)[C@@H]1c1ccc(Cl)cc1 225664912 NRFDIODVMCMEAO-PMPSAXMXSA-N 357.258 3.542 0 40 FHAB COc1cccc(NC(=S)NCc2nc(-c3ccccc3Cl)no2)c1 225818645 NSXPEFDBSUVFAD-UHFFFAOYSA-N 374.853 3.885 0 40 FHAB O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccnc(OCC2CC2)c1 240122350 VWSVLHPVHDJMJK-UHFFFAOYSA-N 366.339 3.699 0 40 FHAB CO[C@@H](CNC(=O)c1ccc(Br)o1)c1cc2ccccc2o1 253472462 MNVIUKIOKNTLQU-AWEZNQCLSA-N 364.195 3.906 0 40 FHAB Cc1cccc(C)c1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(=O)CCO 257335322 YJRTUTZIBMSZRN-IJLGJDIWSA-N 371.521 3.684 0 40 FHAB CCOC(=O)c1ccc(NC(=O)/C=C/c2c(OC)cccc2OC)cc1 409240425 KQYMTYOWEQLHNQ-OUKQBFOZSA-N 355.390 3.532 0 40 FHAB C[C@H](NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccccn1 505163530 DVOFFCADDSRRMJ-LBPRGKRZSA-N 360.339 3.777 0 40 FHAB O=C(Nc1ccc(Cn2ccnc2)cn1)[C@H]1CC[C@@H]1c1ccc(F)cc1 529376540 BDWQOOLAOOYISM-MSOLQXFVSA-N 350.397 3.598 0 40 FHAB COc1ccc2cc(C(=O)NCC(c3ccco3)c3ccco3)[nH]c2c1 670382977 PZTJOZHJEUZYOH-UHFFFAOYSA-N 350.374 3.924 0 40 FHAB O=c1c2ccccc2ncn1CC1CCN(C/C=C/c2ccccc2)CC1 1775973571 UYGYPGDVBZNOQK-RMKNXTFCSA-N 359.473 3.822 0 40 FHAB COc1cccc(C(=O)N2CCC[C@H](COc3ncccc3Cl)C2)c1 1890119226 HMFJJLYUEYIBEH-AWEZNQCLSA-N 360.841 3.675 0 40 FHAB Cc1ccc(C(=O)N2CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C2)cn1 2055803701 LDAKHLMUZSMPFA-FQEVSTJZSA-N 371.431 3.768 0 40 FHAB Cc1nc2ccccc2n1[C@H]1C[C@H]2CN(CC3CCCC3)C[C@H]2C[C@@H]1O 2332242665 GXGHSPRNPHBKTP-UDKICSLYSA-N 353.510 3.779 0 40 FHAB COc1ccc(C)cc1S(=O)(=O)NCCc1c(C)[nH]c2c(C)cccc12 1074466 OOZNOPBSYBYLIG-UHFFFAOYSA-N 372.490 3.623 0 40 FHAB O=C(CSc1ccc(-c2nc3ccccc3[nH]2)cn1)Nc1nccs1 1329701 ATJYFXLIGAXFPA-UHFFFAOYSA-N 367.459 3.812 0 40 FHAB COc1cccc(C(=O)Nc2cnc(NC(=O)c3ccccc3)cc2C)c1 1353036 PMKLLBZXGGJUBH-UHFFFAOYSA-N 361.401 3.903 0 40 FHAB COCCCNC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O 2147714 RAGOPFWKCICHDF-UHFFFAOYSA-N 371.433 3.550 0 40 FHAB biogenic O[C@H](COCc1ccccc1F)CN1CCC(Cc2ccccc2)CC1 2674986 NGHJLQJMRCYSPO-NRFANRHFSA-N 357.469 3.658 0 40 FHAB CCN(C(=O)c1cc2c(=O)n3ccccc3nc2s1)C1CCCCC1 2722858 HWCGAGJTHGBAIA-UHFFFAOYSA-N 355.463 3.704 0 40 FHAB Fc1ccc(OCc2nc3c4c5c(sc4ncn3n2)CCC5)c(F)c1 2788771 YRAOFYOWSBGMGC-UHFFFAOYSA-N 358.373 3.685 0 40 FHAB Fc1cccc(Cn2cc(NC(=S)Nc3ccc(Cl)cn3)cn2)c1 2802771 HAFDXPLQNNCPSS-UHFFFAOYSA-N 361.833 3.928 0 40 FHAB Cc1ccc(C(C)C)c(OCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)c1 3228426 OLOHVZASINLZOC-KRWDZBQOSA-N 369.461 3.918 0 40 FHAB CC(C)[C@H](C)NC(=O)CSc1nnc(COc2ccccc2Cl)o1 3343705 ZUECSQDWAUCTEX-NSHDSACASA-N 369.874 3.555 0 40 FHAB CCc1ccc(-c2csc(NC(=O)[C@@H](C)Sc3nncn3C)n2)cc1 3569276 HJCKPVUVWFILRA-LLVKDONJSA-N 373.507 3.620 0 40 FHAB O=C(COC(=O)c1ccc(Cl)cc1Cl)NCCc1ccccc1 3620229 WFLJFHLAQDQGEA-UHFFFAOYSA-N 352.217 3.509 0 40 FHAB Cc1ccccc1S(=O)(=O)Oc1ccc(C(=O)c2ccccc2)cc1 4666447 WJRLVTCHOGSEOX-UHFFFAOYSA-N 352.411 3.994 0 40 FHAB Cc1ccc(-c2csc(NC(=O)COC(=O)c3c(C)noc3C)n2)cc1 5195723 CGHZHHVQIUCBRU-UHFFFAOYSA-N 371.418 3.519 0 40 FHAB Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 5196843 TWLRUBYRCCRNEE-LBPRGKRZSA-N 371.418 3.599 0 40 FHAB CC(=O)N1CCNC(=O)C(c2ccccc2)(c2ccccc2)c2ccccc21 5378108 NWPAKXJDMQPISG-UHFFFAOYSA-N 370.452 3.504 0 40 FHAB O=C(COC(=O)COc1ccc2ccccc2c1)Nc1ccc(F)c(F)c1 6942281 COFZMPXPUBEYOU-UHFFFAOYSA-N 371.339 3.679 0 40 FHAB CN1CCCN(C(=O)Nc2ccc(F)cc2)c2nc3ccccc3nc21 7004212 SZWXUBXSXANNFS-UHFFFAOYSA-N 351.385 3.647 0 40 FHAB Cc1nc(-c2ccccc2)sc1C(=O)O[C@H](C)C(=O)NC1CCCC1 7618910 VQTVDTLAXKVJCE-CYBMUJFWSA-N 358.463 3.723 0 40 FHAB COc1ccc(NC(=O)c2sc(-c3ccccn3)nc2C)c(OC)c1 7807791 LPXSCBCGCNYNRW-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB CCn1c(SCC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)nnc1-c1ccco1 8159754 ORZFRHLONJLVPF-LSDHHAIUSA-N 374.510 3.689 0 40 FHAB COc1cc(C2=N/C(=C\c3ccccc3C)C(=O)O2)ccc1OC(F)F 8180224 DHLFOPYLHLIMHV-ZROIWOOFSA-N 359.328 3.950 0 40 FHAB Cc1cc2nc(C)c(CCC(=O)NCc3ccccc3Cl)c(C)n2n1 8273169 OEKKMSCHVXPXJQ-UHFFFAOYSA-N 356.857 3.557 0 40 FHAB Cc1ccc(CNC(=O)[C@@H](C)Sc2nc(-c3cccs3)n[nH]2)cc1 8704556 UQQJXEJQTUFMGX-GFCCVEGCSA-N 358.492 3.639 0 40 FHAB CCOc1ccc(N2C[C@@H](CNC(=O)Nc3ccc(C)cc3)CC2=O)cc1 9039474 RQHVCBZHGONXGD-MRXNPFEDSA-N 367.449 3.568 0 40 FHAB Cc1ccccc1CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 9314609 ZKCVZHZVJDJCNG-UHFFFAOYSA-N 370.880 3.817 0 40 FHAB O=C1c2ccccc2N[C@H](c2cnn(-c3ccccc3)c2)N1C[C@H]1CCCO1 9477563 XHMXOVNJCUQINS-NQIIRXRSSA-N 374.444 3.618 0 40 FHAB CCOC(=O)c1sc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)nc1C 10024162 BDCFBLOQLHTGBS-JTQLQIEISA-N 368.842 3.688 0 40 FHAB O=C(COc1cccc2c1CCC2=O)Nc1ccccc1Br 10197797 STQYGOGGSXQZBP-UHFFFAOYSA-N 360.207 3.596 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2oc(C)c(C(=O)O)c2c1 11615800 FMEQRFXPHZSHFU-UHFFFAOYSA-N 363.366 3.688 0 40 FHAB Cc1cc(C)c(NCC(=O)Nc2ccccc2C(=O)NC2CC2)c(Cl)c1 11723361 FPQKLRMKBOBLBP-UHFFFAOYSA-N 371.868 3.900 0 40 FHAB O=S(=O)(c1ccccc1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1 12361367 LUVYVEXUWPCPQU-LJQANCHMSA-N 372.877 3.935 0 40 FHAB O=C(NCCCn1cnc2ccccc21)c1ccccc1Br 12522008 NWVIEPBRYHAQNJ-UHFFFAOYSA-N 358.239 3.619 0 40 FHAB C[C@@H](Sc1nc2cc(F)c(F)cc2[nH]1)C(=O)NCCc1ccccc1 12576044 XOSLZGDKUMUYQS-LLVKDONJSA-N 361.417 3.681 0 40 FHAB CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc3ncccc23)CC1 12769601 VXMNOPQJQQDOPD-UHFFFAOYSA-N 355.438 3.820 0 40 FHAB O=C(Cc1cccc2ccccc12)N1CCC[C@H]1c1nnc2ccccn12 12846397 GOMVLXGNSNXLPN-IBGZPJMESA-N 356.429 3.789 0 40 FHAB CC(C)c1cccc(N2C[C@@H](C(=O)Nc3nnc(C4CC4)s3)CC2=O)c1 12923616 SUXPXDUEQKWLQC-AWEZNQCLSA-N 370.478 3.531 0 40 FHAB COC(=O)c1ccc(CN(C)C(=O)Nc2nc3ccccc3s2)cc1 13018831 PASFZUHZOCLHEP-UHFFFAOYSA-N 355.419 3.747 0 40 FHAB CC[C@@H](C(=O)Nc1ccc(C)c(C)c1)N(c1ccc(C)cc1)S(C)(=O)=O 13713062 SSCFXXFPZYLYFM-IBGZPJMESA-N 374.506 3.795 0 40 FHAB Cc1ccc(NC(=O)CSCC(=O)Nc2nc3ccccc3s2)cc1 14115870 VMDHEORLZSGITH-UHFFFAOYSA-N 371.487 3.915 0 40 FHAB O=C(Cc1ccccc1)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 17073570 LZXOAFDOGABEKN-UHFFFAOYSA-N 356.381 3.668 0 40 FHAB CC(C)(C)c1ccc(O)c(NC(=O)CNC(=O)c2cccc(Cl)c2)c1 17361085 TUOJLYJBDRWBHO-UHFFFAOYSA-N 360.841 3.712 0 40 FHAB CCCC[C@H](c1nnnn1C1CCCC1)N1CCN(C2CCCC2)CC1 19502109 ITNCOWHNEVHXOF-LJQANCHMSA-N 360.550 3.580 0 40 FHAB CCN1C(=O)COc2ccc(-c3nc(NC(=O)CC(C)C)sc3C)cc21 19796511 QOYNDNRZFUSNQF-UHFFFAOYSA-N 373.478 3.848 0 40 FHAB O=c1oc2c3c(ccc2c2c1CCC2)OCN(CCc1ccc(F)cc1)C3 20403829 LJEWKCPGIQFEBR-UHFFFAOYSA-N 365.404 3.815 0 40 FHAB Cc1ccccc1CNC(=O)COCc1cc(-c2ccc(F)cc2)on1 20418627 JXUYOJXPPMPTAQ-UHFFFAOYSA-N 354.381 3.622 0 40 FHAB O=C1C[C@@H](NCc2ccc(F)cc2)C(=O)N1c1cc(Cl)cc(Cl)c1 20469941 IEWLKAMIBPTEPP-OAHLLOKOSA-N 367.207 3.554 0 40 FHAB CC[C@@H]1CCCCN1CCCNC(=O)CSc1ccc(OC)cc1 20484455 VCQPYPITGCYIQB-MRXNPFEDSA-N 350.528 3.558 0 40 FHAB CCc1c(C)n(CC(=O)c2ccc(F)cc2)c2nc3ccccc3n2c1=O 20798238 GKVUAPUJOPQUCD-UHFFFAOYSA-N 363.392 3.542 0 40 FHAB CCn1cc(C(=O)N2CCc3ccccc3C2)c(=O)c2cc(Cl)ccc21 22234946 WXOYDUZDPUXEDS-UHFFFAOYSA-N 366.848 3.873 0 40 FHAB CCOC(=O)c1ccoc1COC(=O)c1cc2ccccc2cc1OC 22615451 KKVZANNYCYWSOS-UHFFFAOYSA-N 354.358 3.975 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)c2nc(SC)ncc2Cl)cc1 23007489 RSDNJMKNFCXXPI-AWEZNQCLSA-N 363.870 3.838 0 40 FHAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccnc1-n1cccn1 23171512 NCECFWVDZAZRAG-UHFFFAOYSA-N 361.430 3.952 0 40 FHAB CC1CCN([C@H](CNC(=O)c2n[nH]c3ccccc23)c2cccs2)CC1 25139570 JZWTXJIDBXMJMB-QGZVFWFLSA-N 368.506 3.827 0 40 FHAB Cc1ccccc1CN1CCN(C(=O)c2cc(-c3cccs3)on2)CC1 25320503 YALRDOHJIRJDLE-UHFFFAOYSA-N 367.474 3.670 0 40 FHAB O=C(CCc1nc2ccccc2s1)N1CCN(c2ccccc2F)CC1 27500116 UNXSJUOPXCNPKE-UHFFFAOYSA-N 369.465 3.717 0 40 FHAB O=C(Nc1ccccc1N1CCCC1=O)c1cc(-c2ccccc2F)on1 30039312 PMRSDHHCPVIZJY-UHFFFAOYSA-N 365.364 3.860 0 40 FHAB CCOc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 30319417 FHZNFBBADQPCLR-UHFFFAOYSA-N 369.870 3.568 0 40 FHAB Cc1sc2nc([C@@H](C)Nc3ccc4c(c3)OCCCO4)[nH]c(=O)c2c1C 30448697 AJRCEUJDVVLDKF-LLVKDONJSA-N 371.462 3.936 0 40 FHAB COc1ccc(CN(C)C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 30946049 LCCIESDORWQESA-HXUWFJFHSA-N 352.478 3.566 0 40 FHAB COC(=O)c1sccc1NC(=O)c1c(-c2ccc(F)cc2)noc1C 31887933 XFIIXVFFCLANRP-UHFFFAOYSA-N 360.366 3.890 0 40 FHAB C[C@H](NC(=O)[C@@H](C)n1cnc2ccccc21)c1ccc2c(c1)OCCCO2 32744226 FFNPGTRLWILBID-LSDHHAIUSA-N 365.433 3.636 0 40 FHAB CCOC(=O)OC1=C(c2cc(C)ccc2C)C(=O)NC12CCC(OC)CC2 34056151 CLSVJBIHYWPGQY-UHFFFAOYSA-N 373.449 3.645 0 40 FHAB biogenic,in-vitro O=C(Nc1cccnc1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 40073981 MSHHOMHDRFECPU-OAHLLOKOSA-N 364.232 3.632 0 40 FHAB CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 40145751 FGHCFCGMBULCTI-IRXDYDNUSA-N 360.454 3.817 0 40 FHAB O=C(NCc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 43739606 KIJABFCQOYNKGV-ZDUSSCGKSA-N 363.244 3.663 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2ccnn2Cc2ccccc2)c(OC)c1 45289970 HOOHZSSVDSCGEN-PKNBQFBNSA-N 363.417 3.601 0 40 FHAB CCN(Cc1ccccc1C)C(=O)Nc1cccc(OCC(=O)N(C)C)c1 47580510 SCRWZDQAWGKBAD-UHFFFAOYSA-N 369.465 3.516 0 40 FHAB COc1cc(CNC(=O)c2ccc(C)s2)ccc1OCc1ccncc1 48445859 CAIGBEUBNAHOKB-UHFFFAOYSA-N 368.458 3.969 0 40 FHAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCc1ccc(N(C)C)nc1 48711452 VMEREFIFUIAHEG-UHFFFAOYSA-N 371.435 3.518 0 40 FHAB O=C(NCCC1=CCCCC1)C1CCN(C(=O)Nc2cccs2)CC1 49028398 RJBLCOIXFDKUTH-UHFFFAOYSA-N 361.511 3.999 0 40 FHAB CC(C)N1CCC(N(C)C(=O)/C=C/c2ccc(Br)cc2)CC1 57994559 ABUIMKMGRUWBCD-RMKNXTFCSA-N 365.315 3.794 0 40 FHAB COc1ccc(NS(=O)(=O)c2cccc(C(C)=O)c2)c(C(F)(F)F)c1 58161037 CWCHJKQJZXLIFS-UHFFFAOYSA-N 373.352 3.717 0 40 FHAB CN(Cc1cccc(C(N)=O)c1)C(=O)c1c[nH]cc1-c1ccc(Cl)s1 64027347 IMARFFGXYSPVMG-UHFFFAOYSA-N 373.865 3.768 0 40 FHAB Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 65477187 PLQDCUKGRSXDDW-GFCCVEGCSA-N 361.405 3.743 0 40 FHAB Cc1cccc(C)c1NC(=O)CNc1cccc(N2CCCC2=O)c1C 65575284 PFMPJURCNQIPDE-UHFFFAOYSA-N 351.450 3.789 0 40 FHAB O=C(c1cnc2ccc(F)cc2c1NCc1ccccn1)N1CCCC1 71326769 HKIAVAQZXPVYPM-UHFFFAOYSA-N 350.397 3.617 0 40 FHAB N[C@@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1cccc(Cl)c1 72227307 GPKMRNYMPWWSLH-KBPBESRZSA-N 351.631 3.518 0 40 FHAB Cc1cc(C)nc([C@H]2CCN(C(=O)c3cc(C4CCCCC4)no3)C2)n1 72369768 KAKKIMSBMHYPEP-INIZCTEOSA-N 354.454 3.759 0 40 FHAB COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1CC1CC1 72370283 MOMLBOTWLHMPOW-INIZCTEOSA-N 372.534 3.694 0 40 FHAB Cc1cccnc1Nc1cccc([C@H]2CCCN2Cc2cnn(C)c2C)n1 72375344 KOBVDAIUYBPGEY-LJQANCHMSA-N 362.481 3.908 0 40 FHAB Cn1cc(NC(=O)CCn2ccc3cc(OCc4ccccc4)ccc32)cn1 79475389 WCRYXBFEMDSJLN-UHFFFAOYSA-N 374.444 3.983 0 40 FHAB CCN(C[C@H]1CCN(C(=O)c2ccc3c(c2)CCCC3)C1)CC(F)(F)F 81452954 KEANHSRERJJMDR-OAHLLOKOSA-N 368.443 3.912 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H]1CNCc1ccccc1Br 83264806 YVAWAKKBNUBKIK-AWEZNQCLSA-N 369.303 3.938 0 40 FHAB O=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N1C[C@H]2CCCCC[C@H]21 95409226 OUUWMXBDCMQJKW-VQIMIIECSA-N 361.507 3.808 0 40 FHAB Cc1cc(C)n(-c2ccc(-c3noc(C(C)(C)c4cccnc4)n3)cn2)n1 95469316 AMJFMRRKBXLYQM-UHFFFAOYSA-N 360.421 3.655 0 40 FHAB Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(Cc2ccoc2)C3)n1 96065128 KLVAJBFEZJYYIM-SFTDATJTSA-N 356.466 3.571 0 40 FHAB CO[C@@]1(CNC(=O)C2c3ccccc3Oc3ccccc32)CCSC1 96097630 YXWIFFRFHYYBSC-HXUWFJFHSA-N 355.459 3.563 0 40 FHAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cccc(O)c2)S1 96118447 XZURIBFKYHJOOC-CJNGLKHVSA-N 373.478 3.898 0 40 FHAB CC(=O)N1CC[C@]2(C(=O)Nc3ccccc3Oc3ccccc3)C[C@@H]2C1 96268461 MDJUPVYZDWPOOU-IERDGZPVSA-N 350.418 3.676 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](C)c1cc(OC)ccc1OC 175126121 WTYIXQLZCXLIKQ-CXAGYDPISA-N 361.413 3.878 0 40 FHAB Brc1ccccc1OC[C@H]1CN(Cc2ccccc2)CCO1 217496877 WXYOIHOZQKLMKL-MRXNPFEDSA-N 362.267 3.729 0 40 FHAB Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 222701343 WMAVFRAJWWYSKB-HOTGVXAUSA-N 355.434 3.719 0 40 FHAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 223038099 FIIKRJFXGAWVHP-CABCVRRESA-N 367.927 3.806 0 40 FHAB COc1ccc(NC(=S)NCCSCc2cccc(Cl)c2)cn1 225301341 RBKLSYAYKCTVEK-UHFFFAOYSA-N 367.927 3.963 0 40 FHAB O=C(CCc1ccc(F)c(Cl)c1)N[C@H](Cn1nccn1)c1ccccc1 238951959 XCUXZVSUZZIVDO-GOSISDBHSA-N 372.831 3.561 0 40 FHAB CCCCN1CCC[C@](C[C@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)O)C1 248249784 RWEPBTHRJRNWLQ-YLJYHZDGSA-N 362.445 3.676 0 40 FHAB CCN(CCO)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1 255190712 YYCVIQXKXPDOGY-UHFFFAOYSA-N 366.442 3.888 0 40 FHAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCC2)CC1 257225104 FEVHNONTNYZWSG-IPJJNNNSSA-N 371.525 3.762 0 40 FHAB CCCn1nccc1-c1nccnc1C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 257232377 GKPSXPHYOPTDPS-INIZCTEOSA-N 369.513 3.577 0 40 FHAB Cc1cc(N2CCO[C@H](c3cccc(Cc4ccccc4C)n3)C2)nc(C)n1 257282179 OSRXCJXOPIXUBS-QFIPXVFZSA-N 374.488 3.966 0 40 FHAB Cc1nc(Nc2ncccc2C)cc([C@H]2CCCN2CC2CCOCC2)n1 257304668 SMQJLRBIGMHHBM-LJQANCHMSA-N 367.497 3.796 0 40 FHAB CN(C[C@@H]1CC=CCC1)C1CCC2(CC1)CNC(=O)c1ccccc1O2 257307137 SXIOYFKOWDAKET-PDDLGQBUSA-N 354.494 3.778 0 40 FHAB CCOc1cc([C@@H]2C=C(c3ccc(Cl)cc3)N=C3N=CNN32)ccc1O 408918034 FJMMWTHNOQKBRB-INIZCTEOSA-N 368.824 3.745 0 40 FHAB O=C(O)CCc1ccc(-c2ccc(F)cc2)n1NC(=O)c1ccccc1 408942054 FIACHYSRNAEGDK-UHFFFAOYSA-N 352.365 3.695 0 40 FHAB Cc1cc(NC(=O)N[C@@]23C[C@H]2COC3(C)C)nn1-c1cccc(Cl)c1 529051083 LYXCZXZETBBWSC-SGTLLEGYSA-N 360.845 3.523 0 40 FHAB O=C(NCC[C@H]1CCOC1)N1Cc2ccccc2C[C@H]1c1ccccc1 544332208 KGIZJBIVVRYKMY-UWJYYQICSA-N 350.462 3.922 0 40 FHAB O[C@@H]1[C@@H](NCc2cc(F)cc(F)c2)CCC[C@H]1Oc1cccc(F)c1 585289005 CTOBKIVTFNZGED-IPMKNSEASA-N 351.368 3.555 0 40 FHAB Cc1cnc(O)n1-c1ccc(-c2noc(-c3cncc(Cl)c3)n2)cc1 1615612617 JQEQNFFKMLLJGY-UHFFFAOYSA-N 353.769 3.652 0 40 FHAB O=C1O[C@H](c2ccc3c(c2)OCO3)N(C(=O)c2ccccc2)c2ccccc21 1064090 XPADRUGBPMZDFM-OAQYLSRUSA-N 373.364 3.931 0 40 FHAB Cc1ccc(N2C(=O)c3ccc(C(=O)NC(C)(C)C)cc3C2=O)cc1C 1090416 OBFISGGVDJYJLB-UHFFFAOYSA-N 350.418 3.632 0 40 FHAB O=c1c2c(nc3n1CCS3)c1cc(F)ccc1n2Cc1ccccc1F 1428168 UPIFCERXMHUUGN-UHFFFAOYSA-N 369.396 3.783 0 40 FHAB Cc1cc(Cl)cc2c1NC(=O)[C@@]2(O)[C@H](C)C(=O)c1ccc(Cl)cc1 1624383 PQRBZIDVWQNJIV-MLCYQJTMSA-N 364.228 3.961 0 40 FHAB Cc1ccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1 1782124 CXBPNYGUXBXPOE-UHFFFAOYSA-N 350.418 3.790 0 40 FHAB CCOC(=O)c1[nH]c2ccccc2c1NC(=O)Nc1ccccc1OC 2346049 MMAZIURGUODALS-UHFFFAOYSA-N 353.378 3.997 0 40 FHAB O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCc2ccccc21 2644747 DKKKCUDQZGBARV-UHFFFAOYSA-N 367.408 3.589 0 40 FHAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 3072854 BUVDEDVCOGXMSB-ZDUSSCGKSA-N 373.250 3.749 0 40 FHAB O=C(COC(=O)c1cccc(F)c1)Nc1ccc(SC(F)F)cc1 3238985 JUBDDLVLIZLROM-UHFFFAOYSA-N 355.337 3.936 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(F)cc1F 3247559 JARRROVAKMJNMI-JTQLQIEISA-N 369.751 3.567 0 40 FHAB O=C(c1cnn(C(=S)Nc2ccccc2)c1)c1cc(Cl)ccc1O 3250624 MLGCGZNEHULXEA-UHFFFAOYSA-N 357.822 3.718 0 40 FHAB COC(=O)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 3354319 GWPAACXXOIKSQP-UHFFFAOYSA-N 353.296 3.510 0 40 FHAB NC(=O)c1c(NC(=O)c2ccc3ncsc3c2)sc2c1CCCC2 3392545 SDJXVPOIBVPOQV-UHFFFAOYSA-N 357.460 3.588 0 40 FHAB COc1ccc(Br)cc1CN(C)C(=O)/C=C/c1ccco1 3400848 BZDUOQYMNRBUIV-SOFGYWHQSA-N 350.212 3.723 0 40 FHAB COC(=O)[C@@]12CC[C@@](C)([C@@H](OC(=O)C(Cl)(Cl)Cl)C1)C2(C)C 4137283 JRRZNKPUTSDMIK-AQUOVQTQSA-N 357.661 3.658 0 40 FHAB O=C(Nc1ccccc1)N(c1ccc(Cl)cc1)[C@H]1C=CS(=O)(=O)C1 4158596 JXPJZJAPFIHPRF-INIZCTEOSA-N 362.838 3.689 0 40 FHAB Clc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCCC2)cc1 4860135 SSACJNUGRMRZCV-LJQANCHMSA-N 367.884 3.754 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 5120554 LTOHWMZFOPVGSH-UHFFFAOYSA-N 357.475 3.533 0 40 FHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2c(C)cc(C)cc2s1 5240898 MWYQTSUJKPNJQQ-UHFFFAOYSA-N 374.487 3.959 0 40 FHAB O=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)Nc1ccc(F)cc1 5399752 ULGGYSSDAINMON-UHFFFAOYSA-N 373.387 3.841 0 40 FHAB CCOC(=O)[C@@H](C)c1c(C(=O)c2ccc(C)nc2)c2ccccc2n1C 5499702 WLCYHJXUIPJJET-AWEZNQCLSA-N 350.418 3.779 0 40 FHAB COc1ccc(NC(=O)c2cc(-c3c(C)cc(C)cc3O)n[nH]2)c(OC)c1 5690897 SQWVOVOKWGTCLV-UHFFFAOYSA-N 367.405 3.669 0 40 FHAB COc1cc(NC(=O)c2cnc(Cl)c(Cl)c2)cc(OC)c1OC 6213384 WAHQEIKQEPVNIO-UHFFFAOYSA-N 357.193 3.667 0 40 FHAB CC(C)COc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 6262866 RSTYEGPYAPVMQS-UHFFFAOYSA-N 358.463 3.623 0 40 FHAB CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2ccc(C(=O)O)cc2)c1 6570352 RUGGITASGVZEED-LBPRGKRZSA-N 372.446 3.689 0 40 FHAB O=C(Oc1cccc(Cl)c1Cl)c1cccc(N2C(=O)CCC2=O)c1 7264730 PYKKHMPUMXBNJR-UHFFFAOYSA-N 364.184 3.866 0 40 FHAB S=c1[nH]nc(-c2ccncc2)n1NCc1ccc(Br)cc1 7601777 HTQCYSWIJSXFFO-UHFFFAOYSA-N 362.256 3.509 0 40 FHAB Cc1nnc(SCC(=O)N[C@@H](C)c2ccccc2Cl)n1C1CC1 7617862 VELGCQAAMMFLPS-JTQLQIEISA-N 350.875 3.544 0 40 FHAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)N[C@@H](C)c2ccccc2)c1 7717373 ALPMVARFXLZYFH-OXJNMPFZSA-N 368.477 3.718 0 40 FHAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 7882075 VTNDVRGKEMGRFI-DOTOQJQBSA-N 352.434 3.634 0 40 FHAB COc1cc(C(=O)NCc2ccccc2F)cc(OC)c1Br 7960925 VHXWKELMLNIAHU-UHFFFAOYSA-N 368.202 3.535 0 40 FHAB O=S1(=O)c2cccc3cccc(c23)N1CCCOc1ccc(F)cc1 8241003 GCVCXKJWEDPIAK-UHFFFAOYSA-N 357.406 3.957 0 40 FHAB COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)c(OC)c1OC 8289700 XOPMHDQANQGDFQ-UHFFFAOYSA-N 369.461 3.807 0 40 FHAB Cc1cc(CSc2nnc(-c3ccncc3)n2Cc2ccccc2)on1 8327145 TUIYDEMQDZQJSJ-UHFFFAOYSA-N 363.446 3.977 0 40 FHAB Cc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 8371571 NTBNQEWTTFYPMD-OQLLNIDSSA-N 354.793 3.623 0 40 FHAB COc1ccc2cc(-c3nc(-c4ccc(N(C)C)cc4)no3)c(=O)oc2c1 8589759 KWSIITPGNCFILJ-UHFFFAOYSA-N 363.373 3.585 0 40 FHAB Cc1cc(C)n2nc(S[C@H](C)C(=O)c3c[nH]c4ccccc34)nc2n1 8621695 YLOVQCVVYVSMPC-GFCCVEGCSA-N 351.435 3.586 0 40 FHAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1ccc(N(CC)CC)cc1 8708459 KQNWDWCBSBMACG-INIZCTEOSA-N 363.461 3.987 0 40 FHAB Cc1ccc(-n2nc(C(=O)O)nc2-c2ccc(Br)cc2)cc1 8730802 FZDXBPHNHXCYMC-UHFFFAOYSA-N 358.195 3.703 0 40 FHAB CC1(C)CC(NC(=O)c2cc(F)ccc2Br)CC(C)(C)N1 9503112 GXVRRMYKIOXUOZ-UHFFFAOYSA-N 357.267 3.627 0 40 FHAB O=C(Cc1csc(NC(=O)c2ccco2)n1)NCCC1=CCCCC1 9819631 KSISVTHDSGNRIE-UHFFFAOYSA-N 359.451 3.538 0 40 FHAB CN(C)[C@H](CNC(=O)c1ccccc1Br)c1ccc(F)cc1 10329689 DLRKTRLASYGZRX-MRXNPFEDSA-N 365.246 3.621 0 40 FHAB CCOc1ncccc1C(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F 10641115 AUKPGANZHCDMHC-UHFFFAOYSA-N 367.327 3.710 0 40 FHAB COc1cccc(NC(=O)CS[C@@H]2CCc3ccccc3N=C2O)c1 11865834 KGAHNJLCDQACEV-QGZVFWFLSA-N 356.447 3.970 0 40 FHAB O=C(C1CCCCC1)N1CCC(n2nc(-c3cccs3)ccc2=O)CC1 12158088 SXEBVNRAOVZGLZ-UHFFFAOYSA-N 371.506 3.716 0 40 FHAB O[C@H](CN1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2)c1ccccc1 12293330 OSRVTZRKUNSAPD-RBUKOAKNSA-N 373.880 3.724 0 40 FHAB C[C@@H](C(=O)Nc1ccccc1F)N1CCC[C@H](C(=O)Nc2ccccc2)C1 12326898 ABCKSCSMIUHJDE-HOTGVXAUSA-N 369.440 3.503 0 40 FHAB COc1cc(C(=O)Nc2ccc(N3CCCC3)nc2)cc(Cl)c1OC 12781685 CMTFNTVCOINHJB-UHFFFAOYSA-N 361.829 3.605 0 40 FHAB COc1cc(CCC(=O)NCCCO[C@H](C)c2ccccc2)cc(OC)c1 13006909 DHOWWJGOIWVQFY-QGZVFWFLSA-N 371.477 3.921 0 40 FHAB CSc1nnc(S[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)s1 14093372 DALGKHBQPIBPEV-MNOVXSKESA-N 353.538 3.661 0 40 FHAB O=C1CCCN1c1ccc(CNCc2cc(Br)cs2)cc1 14138471 CSWSFJGEUOFTJN-UHFFFAOYSA-N 365.296 3.927 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)N[C@H](c1ccc(F)cc1)C(C)C 14163953 PGHIRUUMIHTWJS-NRFANRHFSA-N 373.424 3.929 0 40 FHAB COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)c(C)c1 14223683 KASVPJIZRPJBFV-UHFFFAOYSA-N 356.241 3.567 0 40 FHAB CN(C(=O)/C=C/c1cn(Cc2ccccc2)nn1)[C@@H]1CCCc2ccccc21 15585742 LIHQADHQMLJWAY-JXVRESAISA-N 372.472 3.876 0 40 FHAB CCCOc1ccc(NC(=O)CCNC(=O)c2ccco2)cc1OCCC 15951560 WLRSKTWBEKVYTB-UHFFFAOYSA-N 374.437 3.616 0 40 FHAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc2ncccc12 15980254 CKFHQPNLGSYOHS-UHFFFAOYSA-N 374.849 3.691 0 40 FHAB Cc1ccc(NC(=O)COc2ccc(N3CCCC3=O)cc2)c(Cl)c1 16960078 UKARPAWUIXPXDR-UHFFFAOYSA-N 358.825 3.793 0 40 FHAB COCCn1c([C@@H](CNc2cccc(C)c2)CC(=O)O)nc2ccccc21 17135409 RNLHBGQAYAYRNT-MRXNPFEDSA-N 367.449 3.662 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCC(C)C)c2)cc1 17172601 XJGDJQRIFFYTPS-UHFFFAOYSA-N 360.479 3.572 0 40 FHAB C[C@@H](CC(=O)OCc1ncc(-c2ccccc2)o1)NC(=O)c1ccccc1 17602515 JVLZTXFMOHFQBY-HNNXBMFYSA-N 364.401 3.593 0 40 FHAB Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN2C(=O)c2cccc(F)c2)on1 19122481 WIRXUJFUHRNVAH-KRWDZBQOSA-N 366.396 3.865 0 40 FHAB CCc1nc2cc(NC(=O)c3cc(C(F)(F)F)nn3C)ccc2n1CC 19523219 JVPZPYGWLARCBA-UHFFFAOYSA-N 365.359 3.623 0 40 FHAB CCOc1ccc(CC(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)cc1 19532813 UQRSECFHLJEHDF-UHFFFAOYSA-N 363.461 3.910 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(OC)c1 20481639 SJFMKSOWKJKVGZ-OAHLLOKOSA-N 370.449 3.631 0 40 FHAB O=C1N(CC2CCCCC2)c2ccccc2[C@@]12CC(O)=Nc1[nH]ncc12 20736591 ACAUDVNEMOKOTL-HXUWFJFHSA-N 350.422 3.614 0 40 FHAB COc1cccc2cc(C(=O)N(C)Cc3cccc(Cl)c3)c(=O)oc12 22402800 NYFXEVMCOUWVGO-UHFFFAOYSA-N 357.793 3.727 0 40 FHAB CC(C)c1ccc(C(=O)CN2C(=O)N[C@@]3(CCSC3)C2=O)c(C(C)C)c1 24161642 JAPJPKUFTHJXPM-HXUWFJFHSA-N 374.506 3.544 0 40 FHAB O=S(=O)(Nc1cnc2ccccc2c1)c1ccc(OC(F)(F)F)cc1 24839824 VKQHTCBBQQPPLY-UHFFFAOYSA-N 368.336 3.934 0 40 FHAB CCN(CC)Cc1cccc(NC(=O)Cc2ccc(OC)cc2OC)c1 24926199 AVMCWMJLEIKJRW-UHFFFAOYSA-N 356.466 3.727 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccsc2)cc1 26311253 OKTKGLSVNYCZHW-AWEZNQCLSA-N 352.525 3.629 0 40 FHAB COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)c1 26357507 VPLTVCUZZIDCRP-HNNXBMFYSA-N 367.492 3.600 0 40 FHAB Oc1ccccc1NC[C@H](O)COc1ccc(OCc2ccccc2)cc1 28120573 FZUUOFGJBPGXNS-SFHVURJKSA-N 365.429 3.823 0 40 FHAB CC(C)c1ccc(-c2noc(CCC(=O)NCc3ccccn3)n2)cc1 29517065 GIOVGWJAGHLIOZ-UHFFFAOYSA-N 350.422 3.504 0 40 FHAB CSc1ccccc1NC(=O)CN(C)C(=O)c1cc(Cl)ccc1F 31550519 WYVGABJHFFKNJA-UHFFFAOYSA-N 366.845 3.912 0 40 FHAB CN(C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)[C@H]1CCCc2ccccc21 32481272 GGDZANSSBCBUQD-APWZRJJASA-N 366.436 3.715 0 40 FHAB CCOC(=O)c1c(NC(=O)CSc2nc(C)c(C)o2)sc(C)c1C 32693080 FFJHZWJUQPURDX-UHFFFAOYSA-N 368.480 3.877 0 40 FHAB CCOc1ccc(CN(CC)C(=O)c2ccc(NC(C)=O)cc2)cc1OC 32722680 ILZUSORRLOWELI-UHFFFAOYSA-N 370.449 3.715 0 40 FHAB COc1nn(C)c2nc(C)c(CCC(=O)Nc3cccc(C)c3C)c(C)c12 32817735 MTRPGVZWFFHFFK-UHFFFAOYSA-N 366.465 3.782 0 40 FHAB COc1ccc([C@@H](OC(=O)c2cccs2)C(=O)NCc2ccco2)cc1 35288810 JULGFGGKDBRBNN-QGZVFWFLSA-N 371.414 3.564 0 40 FHAB O=C(NCc1ccc(F)cc1)N1CCC(c2nnc(-c3ccco3)o2)CC1 35597704 RMVFQRSJTFQLIS-UHFFFAOYSA-N 370.384 3.558 0 40 FHAB Cc1cccc(N2C(=O)C[C@H](Nc3ccc(Br)cc3)C2=O)c1 36635375 JUNQMWDWMZEASG-HNNXBMFYSA-N 359.223 3.502 0 40 FHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc2c(F)cccc2s1 36726431 IVVRNYVHLXDTQE-GFCCVEGCSA-N 357.406 3.952 0 40 FHAB Cn1cc(CN(Cc2ccc(F)cc2)C2CC(C)(C)NC(C)(C)C2)cn1 36740464 CJLIABYHEIWLNV-UHFFFAOYSA-N 358.505 3.871 0 40 FHAB O=C(N[C@H](CN1CCCC1=O)c1ccccc1)[C@H]1CCCc2ccccc21 40122154 QWXBJTAHHBNSLT-LEWJYISDSA-N 362.473 3.586 0 40 FHAB O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1cccnc1S 41400049 OKGDXRYSUIFVEG-MRXNPFEDSA-N 361.898 3.591 0 40 FHAB O=C(CCC(=O)N[C@@H]1CCc2ccccc21)CCC(=O)c1cccs1 47431780 LKEHUYPLNRPOFM-QGZVFWFLSA-N 355.459 3.864 0 40 FHAB C[C@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccco1 48340905 CRXJHPWGIPONNC-HNNXBMFYSA-N 369.442 3.745 0 40 FHAB Cc1nc(CNCc2ccc(N3CCc4ccccc4C3)nc2)cs1 48744328 HJVURPIKWQXLTR-UHFFFAOYSA-N 350.491 3.699 0 40 FHAB Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1cccc[n+]1[O-] 53041900 OOTRVZYEZCQJHM-UHFFFAOYSA-N 362.389 3.525 0 40 FHAB CCC(=O)Nc1ccc(C)c(NCC(=O)N[C@H](C)c2ccc(F)cc2)c1 55847818 NORDPUAWHHNDHO-CQSZACIVSA-N 357.429 3.772 0 40 FHAB COc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)n[nH]2)c(OC)c1 57477338 OTALHKYUCWWOLS-LBPRGKRZSA-N 369.396 3.724 0 40 FHAB Cc1noc(C)c1COc1ccccc1C(=O)NCCc1cccc(O)c1 58051688 LHRLBGAQYFHUSG-UHFFFAOYSA-N 366.417 3.549 0 40 FHAB O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)N1CCC[C@@H]1c1ccncc1 58217043 GFMYNIWLUQZLBG-OXJNMPFZSA-N 368.456 3.594 0 40 FHAB O=C(Nc1nnc(-c2ccccn2)s1)NC1(c2ccccc2)CCC1 58414596 ZKOVNMSBKDUPND-UHFFFAOYSA-N 351.435 3.801 0 40 FHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc(C)c3)ccc21 64946825 XCWYPJGBYQRUEK-UHFFFAOYSA-N 362.476 3.582 0 40 FHAB COc1c(C)cnc(CNC(=O)c2c3c(nc4ccccc24)CCC3)c1C 64998172 JNCSXMDYQRVEAU-UHFFFAOYSA-N 361.445 3.674 0 40 FHAB O=C1C[C@@H](C(F)(F)F)c2c(c(C(=O)O)cn2-c2cccc(Cl)c2)N1 66089606 WYDFNOAQGYZRHE-SNVBAGLBSA-N 358.703 3.817 0 40 FHAB O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(-c2ccco2)[nH]c1=O 69950349 KGEORDYIDHEOSI-AWEZNQCLSA-N 370.405 3.741 0 40 FHAB O=C(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)NC1CCCC1 71808667 KHLXAYTZROEHGW-UHFFFAOYSA-N 362.426 3.723 0 40 FHAB Cc1ccc(OCC(=O)NCC2(c3ccccc3)CCOCC2)cc1C 71834841 ZBQQUJHMSOKOPZ-UHFFFAOYSA-N 353.462 3.547 0 40 FHAB CC(=O)c1ccc(-c2ccc(C(=O)NCC3(O)CCCCCC3)o2)cc1 72288712 SWGAXXYTZVAART-UHFFFAOYSA-N 355.434 3.964 0 40 FHAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2c(C)cccc2Cl)c1 72330828 FSOCDCWBSGNRNF-MDZDMXLPSA-N 359.809 3.852 0 40 FHAB Cc1cccc(Oc2cncc([C@H]3CCCN(C(=O)c4cccnc4)C3)n2)c1 72362097 PFILSWGSLVPTMC-SFHVURJKSA-N 374.444 3.992 0 40 FHAB Cc1ccc(Nc2nccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)nc1 72377620 YHWVUCGNDKACPW-GOSISDBHSA-N 360.465 3.698 0 40 FHAB C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)Nc2cccc(Cn3cccn3)c2)C1 75094199 LOKKJESCSAGKEY-IIBYNOLFSA-N 370.497 3.630 0 40 FHAB O=C(NCc1nn(C2CCCC2)c(=O)c2ccccc12)c1cccs1 90504305 SGACNPRADYMJRA-UHFFFAOYSA-N 353.447 3.503 0 40 FHAB O=C1C[C@H](c2ccc3c(c2)OCO3)c2c(ncn2-c2cccc(Cl)c2)N1 96335707 XKCYKJHAXMMWPF-CQSZACIVSA-N 367.792 3.729 0 40 FHAB Cc1nc2n(c(=O)c1Cc1ccccc1)CN(C(C)C)CN2c1ccccc1 96791837 PAJUGMBOOQLWRW-UHFFFAOYSA-N 374.488 3.920 0 40 FHAB CCn1nc(C(=O)N(Cc2ccccc2Cl)C2CCCC2)ccc1=O 110298622 MNCQZGNYJPLVOG-UHFFFAOYSA-N 359.857 3.502 0 40 FHAB COc1cccc(C)c1NS(=O)(=O)c1ccccc1Br 194213297 ZENBMAKLSOHDBZ-UHFFFAOYSA-N 356.241 3.567 0 40 FHAB COc1ccc(CCCNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1OC 219309579 XAFYOVALPXHTRC-KRWDZBQOSA-N 371.477 3.837 0 40 FHAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2ccccc2OC)c1 219559898 LPLHQMDRNADPEC-MRXNPFEDSA-N 357.406 3.668 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)NCc1nc(-c2ccc(C)cc2)no1 219583791 NNPNRXONVREWKC-INIZCTEOSA-N 369.396 3.658 0 40 FHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)n1cc(C(=O)OC)c2ccccc21 222606406 MJCWGLZUIWKQPW-IBGZPJMESA-N 367.401 3.934 0 40 FHAB CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccc(C)cc1 222821654 GVLNHZKUMJIEMG-OAHLLOKOSA-N 358.869 3.702 0 40 FHAB O=C(O)c1ccc(F)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1 223368139 LOUQVVCUBMSGCR-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB COc1cccc(OC)c1C(=O)N1CCS/C1=C/c1csc(C)n1 225258820 GOXFNPAIEWYBII-OQLLNIDSSA-N 362.476 3.656 0 40 FHAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1ccc(OC)cc1OC 225581056 HOZSYFKUMMUUPV-OAHLLOKOSA-N 365.543 3.645 0 40 FHAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1 225596167 VPPMRJBEJYVFND-UHFFFAOYSA-N 365.426 3.892 0 40 FHAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1cccc(C)n1)CC(C)(C)O2 225684637 WDGSKVGUIGOGHU-HNNXBMFYSA-N 357.479 3.987 0 40 FHAB CC[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc(OC)c(C)c1 225778073 FJXRBMWHQYOJEV-KRWDZBQOSA-N 355.434 3.932 0 40 FHAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC)c(C(=O)OC)c1 225801527 XXUMXHDWVJYODX-LJQANCHMSA-N 351.443 3.796 0 40 FHAB Cc1ccc(OC[C@@H](C)NC(=O)COc2cccc(C(F)(F)F)c2)cc1 225813656 LJLLQOKAUVTBHX-CQSZACIVSA-N 367.367 3.976 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1nnc(SC(C)C)s1 225845976 QRUZTCPQVDDUET-LLVKDONJSA-N 355.460 3.974 0 40 FHAB Cc1cccc(O[C@H]2CCN(C(=O)c3cc(-c4ccc(F)cc4)c[nH]3)C2)n1 238876141 OBXSNVFYCCGKOZ-SFHVURJKSA-N 365.408 3.818 0 40 FHAB O=C(Nc1ccccc1Cl)C1CCN(C(=O)Cc2ccccc2)CC1 243333725 LQJQJMZXQDOXCS-UHFFFAOYSA-N 356.853 3.760 0 40 FHAB CCCn1cnc2sc(C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c(C)c2c1=O 253589066 LAYCCNJSQYUECJ-AJNGGQMLSA-N 373.522 3.731 0 40 FHAB Cc1cc(C)n(CCCNC(=O)c2ccc(-c3ccc(F)cc3)nc2C)n1 257173440 NJWHLPIJYMAZMB-UHFFFAOYSA-N 366.440 3.830 0 40 FHAB Cc1cc(CC[C@@H]2CCCN2C(=O)CCCn2nc(C)cc2C)ccn1 257200602 AEAAAIHISYQFNH-FQEVSTJZSA-N 354.498 3.607 0 40 FHAB CCN1C(=O)CC[C@@H](C(=O)NCc2ccc(F)cc2)[C@@H]1c1ccccc1C 257209063 BOUYVLNPGDKJIW-CTNGQTDRSA-N 368.452 3.750 0 40 FHAB CCn1nccc1-c1cc(C)nc([C@H]2CCCCN2C(=O)C(C)(C)C)n1 257256441 KLMLTRQJWCZXFG-QGZVFWFLSA-N 355.486 3.768 0 40 FHAB O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(Br)cc1F 408629000 ZBSJGAVPOKQHFT-GQCTYLIASA-N 369.215 3.708 0 40 FHAB CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCC(Cc2ccc(C)c(C)c2)CC1 552610736 VUJMPILAYJLWRU-BTYIYWSLSA-N 358.526 3.635 0 40 FHAB Cc1ccccc1O[C@@H]1CCC[C@H](N(C)CCOc2ccccc2)[C@H]1O 585289946 YAYDFYLKIXZFEN-KSEOMHKRSA-N 355.478 3.667 0 40 FHAB C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCS[C@@H](c2ccccc2)C1 605154920 DKAPSXOLEXXMHW-OXQOHEQNSA-N 372.509 3.963 0 40 FHAB Nc1c(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)sc2ncccc12 635709552 NZVPRAJUWNEOKC-CQSZACIVSA-N 352.463 3.595 0 40 FHAB COc1ccc(CC(=O)N2CCC(c3ccc4cccnc4n3)CC2)cc1 655265517 XYHHQIHNSJLXTR-UHFFFAOYSA-N 361.445 3.587 0 40 FHAB CC1(C)Cc2n[nH]cc2CN(C(=O)N[C@@H]2CCCc3c(F)cccc32)C1 663211561 BRSCTYCSOIBFQF-QGZVFWFLSA-N 356.445 3.720 0 40 FHAB CC1(C)CC(=O)c2sc(NC(=O)c3ncnc4ccsc34)nc2C1 666727982 YZQLXPWXIOLKGJ-UHFFFAOYSA-N 358.448 3.555 0 40 FHAB O=C1Cc2ccc(CC(=O)N3CCC[C@@]4(CCCc5ccccc54)C3)cc2N1 680148559 DHDUUXOHWLOIMM-DEOSSOPVSA-N 374.484 3.620 0 40 FHAB CC(C)[C@@H](COc1ccc(Cl)cc1C(=O)O)NC(=O)OC(C)(C)C 2012194288 KFBQQGMJFHGKLQ-CYBMUJFWSA-N 357.834 3.966 0 40 FHAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)Cc3ccccc3C)C2)cc1C 2037913082 PRLDKMIHXPVFJZ-HSZRJFAPSA-N 367.489 3.587 0 40 FHAB COCCOC(=O)N1CCC([C@@H]2CCCCN2Cc2ccccc2)CC1 2056226464 RWZZXCHKJZIZDI-FQEVSTJZSA-N 360.498 3.536 0 40 FHAB CSc1nc2ccc(NS(=O)(=O)c3ccccc3F)cc2s1 2629752 GNICIHSQNGDNCH-UHFFFAOYSA-N 354.453 3.958 0 40 FHAB Cc1nc(NS(=O)(=O)c2ccccc2C)c2c3c(sc2n1)CCC3 2638254 KYTAYEUFVAISBE-UHFFFAOYSA-N 359.476 3.598 0 40 FHAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 814257 AYONYHVJUMSQDN-INIZCTEOSA-N 360.797 3.791 0 40 FHAB CN(C)C(=O)Oc1c(Br)cc(Br)c2cccnc12 863596 UCNJVKCELIGSGI-UHFFFAOYSA-N 374.032 3.820 0 40 FHAB CCNC(=S)N(Cc1cc2cc(CC)ccc2[nH]c1=O)C1CCCC1 924180 OSVSDXHRDOEVCL-UHFFFAOYSA-N 357.523 3.730 0 40 FHAB COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc(C)cc1 9646292 MFVIVPBLIIGGKE-UHFFFAOYSA-N 361.444 3.797 0 40 FHAB COC(=O)[C@]1(Cc2ccc3c(c2)CCC3)Cc2ccc3c(c2[C@@H]1O)CCC3 1646171 OWCFGVVLNAWNMG-LADGPHEKSA-N 362.469 3.656 0 40 FHAB CN1C(C)(C)CC(O)(C(O)(c2ccccc2)c2ccccc2)CC1(C)C 1727261 RLAVSZRMXMXILA-UHFFFAOYSA-N 353.506 3.936 0 40 FHAB Cc1ccc(S(=O)(=O)c2ccc(CSc3ncccn3)cc2)cc1 41703899 BUVWUOGOBOCRDI-UHFFFAOYSA-N 356.472 3.910 0 40 FHAB O=C1OC[C@H]2[C@@H]1[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 2534460 GIUKJJMBQBRFTN-MIXWHRODSA-N 356.847 3.621 0 40 FHAB CCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 3465716 WCYIEUPTZQXCBV-UHFFFAOYSA-N 370.453 3.692 0 40 FHAB COc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(C)c(C)c2)cc1 629236 VPUYAXHWMXWNCP-GOSISDBHSA-N 363.504 3.748 0 40 FHAB CCOc1ccccc1OCc1nn2c(Cc3ccccc3)nnc2s1 641667 HHCJNVWLWPEJRI-UHFFFAOYSA-N 366.446 3.754 0 40 FHAB Cc1ccc(C)c(SCC(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)c1 4925571 FSPFEXCXFMQEGV-PVAVHDDUSA-N 363.523 3.880 0 40 FHAB N=C1NC(=O)/C(=C\c2cccc(OCCOc3ccccc3Cl)c2)S1 7003986 SYXUYVNBNVEOME-LFIBNONCSA-N 374.849 3.936 0 40 FHAB O=c1[nH]c2ccccc2n1CCCOc1ccc(F)cc1Br 8273146 XFXRFBTZPUISMC-UHFFFAOYSA-N 365.202 3.700 0 40 FHAB O=C(COc1ccc(F)cc1Cl)OCc1ccc(-n2cccn2)cc1 24420708 SNNYYSOJAGMKRE-UHFFFAOYSA-N 360.772 3.787 0 40 FHAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)C1(C)C 24714396 MSVQPEVWVSTSNW-AZUAARDMSA-N 355.526 3.924 0 40 FHAB CN(CC(=O)Nc1ccccc1F)Cc1ccccc1N1CCCCC1 12562090 ZFCSOWCYBGVHOC-UHFFFAOYSA-N 355.457 3.887 0 40 FHAB COc1ccc(OCc2noc(CSc3nc4ccccc4[nH]3)n2)cc1 12534987 WKCVNMXVBVCKQG-UHFFFAOYSA-N 368.418 3.826 0 40 FHAB CCS(=O)(=O)Nc1ccc(NC(=O)Cc2ccc3ccccc3c2)cc1 57995296 BLJOUZAOGLUHFT-UHFFFAOYSA-N 368.458 3.783 0 40 FHAB CCOc1c(Cl)cc(CNC(=O)c2c(CC)noc2C)cc1OC 55715430 JKDXSBHODKVHJJ-UHFFFAOYSA-N 352.818 3.536 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)CCc1ccsc1)c1ccc(Cl)cc1 12507247 KNKMXJRTNBPURM-KRWDZBQOSA-N 359.882 3.973 0 40 FHAB CCCCc1noc(CN2CCCC[C@@H]2CNC(=O)Nc2ccccc2)n1 26181958 WCUJSRKZZASKLN-QGZVFWFLSA-N 371.485 3.588 0 40 FHAB CC(C)C[C@H](CNC(=O)N[C@@H](C)c1cc2ccccc2o1)N1CCOCC1 26303969 KIYNBCODIVZGBW-FUHWJXTLSA-N 373.497 3.540 0 40 FHAB CCCCNc1nc(NCCCC)c2nc(C)n(CCCC)c(=O)c2n1 1810316 SAEYITJOLNHQLO-UHFFFAOYSA-N 360.506 3.719 0 40 FHAB biogenic COc1ccc2[nH]/c(=N\C(=O)c3ccc(Br)cc3)sc2c1 3214183 QIFDHQWCWJADCN-UHFFFAOYSA-N 363.236 3.742 0 40 FHAB O=C(NC1CCCCCC1)c1ccccc1SCC(=O)N1CCCC1 12601876 UPQINYMKBFKWCS-UHFFFAOYSA-N 360.523 3.854 0 40 FHAB Cc1ccnc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 27647268 XNECZUSNHGZIHE-OAHLLOKOSA-N 357.841 3.534 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(CN3CCCC3)cc2)c1C 10219467 SZMXUMLHHUMEOC-UHFFFAOYSA-N 369.465 3.656 0 40 FHAB Cc1nccn1-c1ccc(CNC(=O)NCC[C@@H](C)c2ccccc2)cn1 58341134 JBWRCUHRXUPSIH-MRXNPFEDSA-N 363.465 3.569 0 40 FHAB N=c1c2c(ncn1Cc1ccco1)Oc1cc(O)ccc1[C@@H]2c1ccccc1 100512639 NOGQPWSXNVFQFA-IBGZPJMESA-N 371.396 3.995 0 40 FHAB CC[C@@H](C)NC(=O)C(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C 12768478 XUFDVDMLBCBUQX-SNVBAGLBSA-N 367.371 3.605 0 40 FHAB Cc1cc(N[C@H](C)C(=O)Nc2ccc(F)cc2)ccc1N1CCCC1=O 10746906 FUVFLDPLJAJCNG-CQSZACIVSA-N 355.413 3.700 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1ncnc2c1cnn2C 11681782 ZLAPYDVHFBSDNX-NSHDSACASA-N 351.435 3.517 0 40 FHAB COC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccc(C(C)C)cc1 2503531 IMKSEEFHZBOXFX-MLGOLLRUSA-N 358.463 3.632 0 40 FHAB CCN1CCc2nc3ccccc3c(C(=O)Nc3ccccc3OC)c2C1 22096101 UDTKCYFLGWZMBK-UHFFFAOYSA-N 361.445 3.874 0 40 FHAB COc1cc(CNC(=O)c2sccc2C)ccc1OCc1ccncc1 48354892 MGPBLCFSSZPVPL-UHFFFAOYSA-N 368.458 3.969 0 40 FHAB C/C=C/c1ccc(OCC(=O)Nc2ccn(-c3ccccc3)n2)c(OC)c1 12869936 LCBIZSFMWZJVKQ-XVNBXDOJSA-N 363.417 3.932 0 40 FHAB Cc1cc(S(=O)(=O)Nc2nc3ccccc3[nH]2)c(S)cc1Cl 27314129 PJORYKXENKUDFV-UHFFFAOYSA-N 353.856 3.614 0 40 FHAB COc1ccc(O)c(C(=O)NCc2ccc(-c3csc(C)n3)cc2)c1 12919949 XPPYXZMIVNLVMR-UHFFFAOYSA-N 354.431 3.763 0 40 FHAB O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)c1ccc[nH]1 8983610 GFJFZHUHIJMZFV-UHFFFAOYSA-N 367.455 3.955 0 40 FHAB O=C(c1ccc2c(O)[nH]c(=S)nc2c1)N(Cc1ccccc1)C1CC1 63809495 AZRNEOIFAHFBPN-UHFFFAOYSA-N 351.431 3.803 0 40 FHAB Cc1nc(-c2ccccc2)nc(SCCN2CCCCC2)c1C(=O)O 13625577 WIOAAUSNHQSKAM-UHFFFAOYSA-N 357.479 3.728 0 40 FHAB COc1ccc(N2C(=O)C[C@@H]([C@@H]3CCCC=C3N3CCCCC3)C2=O)cc1 5015869 FCHGOTAXHIXVHB-OALUTQOASA-N 368.477 3.745 0 40 FHAB Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 65477190 PLQDCUKGRSXDDW-LBPRGKRZSA-N 361.405 3.743 0 40 FHAB Cc1ccc2c(CSc3nc(N)c4ccsc4n3)cc(=O)oc2c1 9743697 YPXZYWKTUFVLLT-UHFFFAOYSA-N 355.444 3.981 0 40 FHAB C[C@@H](Oc1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cn1)c1ccccc1 65522099 QLXBVHRGYCLPSD-CYBMUJFWSA-N 374.400 3.644 0 40 FHAB C[C@H](NC(=O)CSc1nnc(NC2CCCCC2)s1)c1ccco1 14169451 DRGUOCJLPXWWNO-NSHDSACASA-N 366.512 3.845 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)NCCc1ccc(Br)s1 14185796 VNHZFRJODWFCDZ-UHFFFAOYSA-N 363.280 3.893 0 40 FHAB Fc1ccc(-c2noc(CSc3nnnn3C3CCCCC3)n2)cc1 14197153 LSZXESSGHDPYAR-UHFFFAOYSA-N 360.418 3.660 0 40 FHAB Cc1cc(C)n2nc(SCc3cc(Cl)cc4c3OCOC4)nc2n1 4523614 UUFKDRWKQVSZQV-UHFFFAOYSA-N 362.842 3.553 0 40 FHAB Cc1cc(C(=O)COC(=O)Cc2ccccc2F)c(C)n1-c1nccs1 6549541 PNHULRLPYZYBNW-UHFFFAOYSA-N 372.421 3.658 0 40 FHAB C[C@@H](CC(=O)NCCc1ccc(Cl)cc1)CC(=O)N1CCCCCC1 4715816 XHAKKQAFXNZBFG-INIZCTEOSA-N 364.917 3.818 0 40 FHAB Cc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(c2cc(C)cc(C)c2)C3)cc1 15081248 RDKVQLBRCHRGEV-FQEVSTJZSA-N 361.445 3.609 0 40 FHAB COCCCNC(=O)/C(=C/c1cccc(Cl)c1)c1nc2ccccc2[nH]1 5988082 XTIJULTXTIAAMG-DTQAZKPQSA-N 369.852 3.910 0 40 FHAB FC(F)(F)c1ccc(CCNC(=S)NCCc2ccccc2)cc1 7676879 KBIIKTIJRCYCNO-UHFFFAOYSA-N 352.425 3.955 0 40 FHAB CC[C@H](Oc1cccc2ccccc12)C(=O)N1CC(=O)Nc2ccccc21 20487113 GUXOEYKKPWXHEH-IBGZPJMESA-N 360.413 3.983 0 40 FHAB COc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)c(OC)c1 7849985 IFKVRFQUJNRAFK-UHFFFAOYSA-N 368.477 3.620 0 40 FHAB Cc1nc(N[C@@H](C)[C@H](O)c2ccc(O)cc2)c2c3c(sc2n1)CCC3 7982111 IHCLNKPTUVOKJI-BTDLBPIBSA-N 355.463 3.728 0 40 FHAB Cc1cc(-c2csc(CC(N)=O)n2)c(C)n1Cc1ccccc1Cl 8042243 GOJYHQPRDUBVPK-UHFFFAOYSA-N 359.882 3.958 0 40 FHAB CN(Cc1cccs1)C(=O)Cn1c(-c2cscn2)nc2ccccc21 8162167 FWGMHVVNSUIDCF-UHFFFAOYSA-N 368.487 3.880 0 40 FHAB COc1cccc(CNc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 8156374 CRMFTABLWZHGKU-UHFFFAOYSA-N 374.506 3.872 0 40 FHAB Cc1ccc(NC(=O)Cc2nc(-c3ccc4c(c3)CC(=O)N4)cs2)cc1 8208656 WGDDHSZDSIKCEY-UHFFFAOYSA-N 363.442 3.794 0 40 FHAB COc1ccccc1NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl 9513958 GHNCJYAIBPQANU-UHFFFAOYSA-N 368.220 3.762 0 40 FHAB C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 69619794 IDLFVOWECITYNA-VQIMIIECSA-N 355.457 3.652 0 40 FHAB COc1ccc(-c2noc(COC(=O)/C=C/c3ccc(C)cc3)n2)cc1 8573834 NPHALFGMUWYWTL-KPKJPENVSA-N 350.374 3.810 0 40 FHAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(O)cc2)N2C(=N1)Nc1ccccc12 8741351 ACTDYQWNOCNKHA-IBGZPJMESA-N 363.417 3.961 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)COc3ccc(Cl)c(C)c3)ccc21 8755824 LFGKPFVZMKJACZ-UHFFFAOYSA-N 358.825 3.575 0 40 FHAB COc1cc(C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OC 8719335 BPBUJPJZCHQTNM-UHFFFAOYSA-N 358.825 3.811 0 40 FHAB CN(Cc1cccc2ccccc12)C(=O)C(=O)Nc1cccc2cccnc12 95367671 FMQWTMWULPJZAX-UHFFFAOYSA-N 369.424 3.985 0 40 FHAB O=C(OCc1csc(C2CCCC2)n1)[C@H]1CCCCN1c1ncccn1 84613421 GGTQYOITSYYVQE-MRXNPFEDSA-N 372.494 3.693 0 40 FHAB Cc1nc(Cl)c(C)c(NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)n1 95464802 HGSJLLYOXDVQGE-MRVPVSSYSA-N 350.875 3.690 0 40 FHAB Cc1ccc(CO)cc1NC(=O)/C=C/c1csc(Br)c1 89644246 HVTFFIDXLOQPNB-SNAWJCMRSA-N 352.253 3.963 0 40 FHAB Cc1ccnc(-n2cc(S(=O)(=O)Oc3cccc(C(C)(C)C)c3)cn2)c1 89701874 FYWIWOXUKSDWPY-UHFFFAOYSA-N 371.462 3.641 0 40 FHAB CCN(CC)Cc1ccc(CNC(=O)[C@@H]2CCCN2C2CCCC2)cc1 89969000 WBXGORCVEWFAKV-NRFANRHFSA-N 357.542 3.552 0 40 FHAB CC[C@@H](CC(F)(F)F)NS(=O)(=O)c1cc(Cl)c2c(c1)C[C@H](C)O2 546177397 NUOMUAFTSQIIAC-WPRPVWTQSA-N 371.808 3.673 0 40 FHAB O=C(O)[C@@H]1CS[C@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)N1 408807677 DJAJNFAFBIZKPP-FUHWJXTLSA-N 356.422 3.617 0 40 FHAB Cc1ccc(NC(=O)NCCCCOc2ccc(F)cc2)c2[nH]ncc12 524089301 UZEBAONBSFJMHJ-UHFFFAOYSA-N 356.401 3.991 0 40 FHAB CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2C)ccc1C 408611416 WYXSTKGNFUTPTE-UHFFFAOYSA-N 360.479 3.552 0 40 FHAB Cc1n[nH]cc1C(=O)N1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 72349748 RFUVNTWSCIUWIC-INIZCTEOSA-N 364.424 3.939 0 40 FHAB NC(=O)c1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1 216920398 NBRYGWJKFYPBHQ-UHFFFAOYSA-N 350.603 3.745 0 40 FHAB O=C(CSCc1ccccc1)NCC1(c2ccccc2)CCOCC1 38940018 PZUOJXLVUICZCS-UHFFFAOYSA-N 355.503 3.784 0 40 FHAB Cc1oc(C2CC2)cc1C(=O)N1[C@H]2CC[C@@H]1CC(O)(c1cccnc1F)C2 72337348 FWKVQGMBNPNGOI-YLQYIJTPSA-N 370.424 3.654 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(N3CCCC3=O)cc2)c1 219202244 LVYCHNBQMQVPNM-UHFFFAOYSA-N 366.417 3.551 0 40 FHAB COc1ccc2c(ccn2CCC(=O)Nc2nnc(CC(C)C)s2)c1 36360637 OHMWTCTVXVNAFZ-UHFFFAOYSA-N 358.467 3.729 0 40 FHAB CC(C)n1cc(C(=O)Nc2nnc(C3CC3)s2)c2ccccc2c1=O 71284946 RHGFKZQAVWQNRH-UHFFFAOYSA-N 354.435 3.564 0 40 FHAB COc1ccc(CN(C)C(=O)Nc2cccc(OC(F)F)c2)cc1OC 40120543 KETNLYPKSFNRJU-UHFFFAOYSA-N 366.364 3.969 0 40 FHAB COc1ccc(CCNC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 42927211 RFLRWUKWQLCSEM-IBGZPJMESA-N 364.449 3.661 0 40 FHAB CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(OC)cc1 224851110 DJLKAAYDKDIYQS-UHFFFAOYSA-N 370.268 3.673 0 40 FHAB CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 224860423 VHIKSZVMHDZTRL-UHFFFAOYSA-N 355.843 3.572 0 40 FHAB CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccco1 223365280 QPRKPGZOEDTRIO-ZWKOTPCHSA-N 352.463 3.669 0 40 FHAB O=C(COc1cccc2c1CCCC2)NCCOc1ccccc1Cl 225517707 NSMOJOSZZJYXEA-UHFFFAOYSA-N 359.853 3.793 0 40 FHAB CC[C@@H](Sc1nccn1-c1cccc(F)c1)C(=O)Nc1cc(C)on1 9319480 ACQOTONCPBZBAA-CQSZACIVSA-N 360.414 3.817 0 40 FHAB O=C(CCn1ccc2c(Br)cccc21)NCc1ccccn1 40287960 GEVBVJQHMYUUAK-UHFFFAOYSA-N 358.239 3.505 0 40 FHAB CCOc1ccc(CNC(=S)Nc2ccc(N3CCCC3=O)cc2)cc1 225431605 SLVLJAIDPWTUKB-UHFFFAOYSA-N 369.490 3.699 0 40 FHAB COc1cc(C(=O)NCc2ccccc2)ccc1OCc1cscn1 40068027 IOJFEPQGHYPHHA-UHFFFAOYSA-N 354.431 3.661 0 40 FHAB O=C(CN1C(=O)c2cccc3cccc1c23)NCCSC1CCCC1 223649441 OISGIEJSHRZHBF-UHFFFAOYSA-N 354.475 3.592 0 40 FHAB COc1ccc(COC[C@@H](O)CN(Cc2ccccc2)[C@H](C)C2CC2)cc1 40160720 WDTSVCNVMNPGFD-GCJKJVERSA-N 369.505 3.873 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCOc1ccccc1Cl 224462847 ZDBFQUYJAVDRGK-KRWDZBQOSA-N 363.841 3.701 0 40 FHAB COC(=O)C[C@@H](c1oc(CSc2ccccc2)cc(=O)c1O)C(C)C 95472579 KBJCIQUTQFZBTN-OAHLLOKOSA-N 362.447 3.940 0 40 FHAB CCC(=O)N1CC[C@@H](OCc2csc(C)n2)[C@@H](Cc2ccccc2)C1 96215123 SYNMBERWVCHBNT-PKOBYXMFSA-N 358.507 3.838 0 40 FHAB O=C1N(CC2CC2)c2ccccc2[C@@]12CCN(Cc1ccc(F)cc1)C2 96100328 CRFHLKMZOFBSOI-QFIPXVFZSA-N 350.437 3.726 0 40 FHAB F[C@@H]1CN(CC2CC2)C[C@@H]1OCc1nc2cc(C(F)(F)F)ccc2[nH]1 96112253 ANLHVKXHTIGBRS-DOMZBBRYSA-N 357.351 3.531 0 40 FHAB biogenic,in-vitro CCOC(=O)c1[nH]cc2c3ccccc3n(S(=O)(=O)c3ccccc3)c12 90463677 RQJCSMQRGRKGEY-UHFFFAOYSA-N 368.414 3.536 0 40 FHAB COc1ccc(NC(=O)Nc2ccc3c(c2)CCCC(=O)N3)c(OC)c1 252486210 HJLQTTOCKOAPDH-UHFFFAOYSA-N 355.394 3.623 0 40 FHAB O=C(CCc1ccc(Cl)cc1)NCc1cnc([C@@H]2CCCCO2)nc1 257327631 XCDCLVLKYPQXGB-KRWDZBQOSA-N 359.857 3.621 0 40 FHAB CCCn1nccc1-c1cc(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)ncn1 257257662 KQPABUDKIOCKPU-MRXNPFEDSA-N 369.513 3.577 0 40 FHAB CCCNC(=O)CCCn1cc(-c2cccc(Br)c2)cn1 252486627 HMVOKIKOQDYPGW-UHFFFAOYSA-N 350.260 3.619 0 40 FHAB O=C(O)[C@@H]1[C@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]21 616577612 JKXFSIRXKZELBS-CMKODMSKSA-N 363.413 3.588 0 40 FHAB O=C(Cn1nnc2ccccc21)NCc1cccc(Oc2ccccc2)c1 1141676865 GIOBWHPTHIFQMG-UHFFFAOYSA-N 358.401 3.540 0 40 FHAB Cc1cccnc1CCNC(=O)N1CCO[C@H](c2cccc(Cl)c2)[C@H]1C 661270468 MUCJGYNJLVOHHX-BEFAXECRSA-N 373.884 3.758 0 40 FHAB Cc1cc2c(CC(=O)NC[C@H](CO)c3ccc(F)cc3)csc2s1 1615610166 FCJNSHITCHFBGL-CQSZACIVSA-N 363.479 3.845 0 40 FHAB COc1cc2c(cc1OC)CCN(C(=O)c1cc(C(C)C)oc1C)CC2 671667420 QFCUJCABKPFOMM-UHFFFAOYSA-N 357.450 3.970 0 40 FHAB O=C(Cn1ccc2ccccc21)N1CCC(Oc2ccncc2Cl)CC1 390829439 YTHDNFGGHYPAFR-UHFFFAOYSA-N 369.852 3.760 0 40 FHAB CCCCOc1nc2ccccc2c(C(=O)NCCN(CC)CC)c1F 96171710 NYBKUAPPDWFHGF-UHFFFAOYSA-N 361.461 3.624 0 40 FHAB Cc1cc2nnc(SCC(=O)NCc3ccccc3)n2c2ccccc12 1221464 ZGYXCNRHUPIRSD-UHFFFAOYSA-N 362.458 3.599 0 40 FHAB CCc1ccc([C@H]2CCCCCN2C(=O)c2cnc(SC)nc2O)o1 1293718147 ONQSHFGRQLNVIX-CQSZACIVSA-N 361.467 3.817 0 40 FHAB COc1ccccc1NCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O 2067851 LFQBMRLWKXHMLC-YBEGLDIGSA-N 358.394 3.940 0 40 FHAB Cc1ccc(-n2c(CNc3ccc(F)cc3)nnc2SCC(=O)O)cc1 5006661 JXIVBMMCMUATPU-UHFFFAOYSA-N 372.425 3.504 0 40 FHAB COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)[C@@H]3CCCO3)on2)cc1 12120253 YSSIGQDFPJJODK-MOPGFXCFSA-N 370.449 3.973 0 40 FHAB O=C(c1cccnc1)N1C[C@@H](c2cc(C(F)F)[nH]n2)[C@H](c2ccccc2)C1 12129219 JSHNUWUYRYAOBS-JKSUJKDBSA-N 368.387 3.766 0 40 FHAB CC(C)(C)OC(=O)N1CCC(c2nc3ccc(F)cc3cc2C(N)=O)CC1 12219873 IVTIQTIDNJVWPG-UHFFFAOYSA-N 373.428 3.587 0 40 FHAB CCc1ccc(CN2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)cc1 12276672 VRXGGAOPRSYOAS-UHFFFAOYSA-N 363.465 3.777 0 40 FHAB CS(=O)(=O)NCCc1ccc(-c2csc(-c3ccsc3)n2)cc1 14103649 MPIJWJCTHPKHJV-UHFFFAOYSA-N 364.517 3.630 0 40 FHAB Cc1ccccc1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 17043939 FJJCBKNUPSBWNU-UHFFFAOYSA-N 368.746 3.640 0 40 FHAB CCc1cc2c(=O)n(Cc3nc(-c4ccc(Cl)cc4)no3)cnc2s1 19356422 CYCYTIIWFWAHDU-UHFFFAOYSA-N 372.837 3.772 0 40 FHAB O=C(c1n[nH]c2c1COc1ccccc1-2)N1CCc2[nH]c3ccccc3c2C1 19656575 XOAAVGISCGMRTN-UHFFFAOYSA-N 370.412 3.649 0 40 FHAB CC(=O)N1CC[C@@H]2[C@H]1CCCCN2Cc1ccccc1N1CCCCC1 19712521 KTIRNZMGVWAIBG-FGZHOGPDSA-N 355.526 3.652 0 40 FHAB O=C(NCc1cccc(N2CCCCC2)c1)c1ccccc1Cn1cccn1 19719184 JGLOOCXHGODBRK-UHFFFAOYSA-N 374.488 3.852 0 40 FHAB Cc1nc(CC2CCN(Cc3cnc(C)s3)CC2)cc(N2CCCC2)n1 19752150 OFFRTIAZMMLSDR-UHFFFAOYSA-N 371.554 3.605 0 40 FHAB O=C(O)[C@H](Sc1nccc(-c2ccc3c(c2)OCO3)n1)c1ccccc1 19074810 AZCWHYGADRJJRW-QGZVFWFLSA-N 366.398 3.790 0 40 FHAB COc1cc(OC)c(NS(=O)(=O)c2cc(C)sc2C)cc1Cl 32532265 JPANCKPFSGUHAM-UHFFFAOYSA-N 361.872 3.836 0 40 FHAB COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2nc3ccccc3o2)c1 10963341 MEHSIEFBCPNACA-LLVKDONJSA-N 358.419 3.964 0 40 FHAB CC[C@H](C(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O)c1ccccc1 3911667 WCGGCJAXAAGNAZ-FQEVSTJZSA-N 362.473 3.997 0 40 FHAB COc1cccc(OC)c1C(=O)N1CCN=C1SCc1cccc(F)c1 4119865 CEOLLHLJHPZVFQ-UHFFFAOYSA-N 374.437 3.588 0 40 FHAB COCCn1cc(NC(=O)Nc2cccc(NC(C)=O)c2)c2ccccc21 5266500 IASUIFFVJNTYRZ-UHFFFAOYSA-N 366.421 3.890 0 40 FHAB COc1ccc(CC(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1 7614265 YDRMOIYUVCVJJZ-UHFFFAOYSA-N 352.415 3.892 0 40 FHAB O=C(NCc1cc(-c2ccc3c(c2)OCO3)on1)c1cc2ccccc2o1 16838616 WZNZBDKCBLOBCR-UHFFFAOYSA-N 362.341 3.747 0 40 FHAB COc1ccc2cc(C(=O)N3CCC[C@H](COc4ccncc4)C3)[nH]c2c1 1775970915 JPURYBJQRVGAKZ-HNNXBMFYSA-N 365.433 3.503 0 40 FHAB Cc1ccccc1CCC(=O)N1Cc2ccccc2[C@H](c2cnn(C)c2)C1 585409828 SSMTUMLXEQEWNK-QFIPXVFZSA-N 359.473 3.835 0 40 FHAB CCN(Cc1cccs1)C(=O)NCc1ccccc1CN1CCCC1=O 40069070 XXAGXIOBDHTULS-UHFFFAOYSA-N 371.506 3.602 0 40 FHAB CCC(=O)N1CCC[C@H](C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)C1 40146618 TZNHGSBWCJWWCT-KXBFYZLASA-N 374.481 3.741 0 40 FHAB C[C@H](NC(=O)[C@H](C)n1cnc2ccccc21)c1ccc2c(c1)OCCCO2 32744228 FFNPGTRLWILBID-GJZGRUSLSA-N 365.433 3.636 0 40 FHAB CCC[C@H](C)NC(=O)CCc1c(C)nc(SCc2ccccc2)[nH]c1=O 32901757 XAXMPKUWILSTML-AWEZNQCLSA-N 373.522 3.608 0 40 FHAB Cc1cc(C(=O)CCC(=O)NCCCN(C)Cc2ccccc2)c(C)s1 21939117 XPNVEHHYJXAECA-UHFFFAOYSA-N 372.534 3.966 0 40 FHAB COc1ccc(-n2ccnc2S[C@H](C)C(=O)NCc2cccs2)cc1 18516424 KMOWXBWIICNSCI-CYBMUJFWSA-N 373.503 3.739 0 40 FHAB CCN1CCN([C@@H](C(=O)Nc2cc(C)cc(C)c2)c2ccccc2)CC1 22038717 ABQGUXZTTMCWSY-OAQYLSRUSA-N 351.494 3.621 0 40 FHAB CCOc1ccccc1OCC(=O)Nc1ccccc1Br 958617 BEULXLVCJMRXBO-UHFFFAOYSA-N 350.212 3.865 0 40 FHAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1C1CC1 1368507 UIAAQGHQUNZBSB-UHFFFAOYSA-N 350.875 3.868 0 40 FHAB O=C(CSc1nnc(-c2cccc(F)c2)o1)Nc1ccc(Cl)cn1 645182 IBCXNSXZFHJNCZ-UHFFFAOYSA-N 364.789 3.655 0 40 FHAB O=C1CCCN2N=C(SCc3ccc(Br)cc3)SC2=N1 3009745 RCQPIGGVWFDZTN-UHFFFAOYSA-N 370.297 3.679 0 40 FHAB Cc1ccc(S(=O)(=O)NC(C)(C)CSc2ccc(F)cc2)cc1 3227127 NTCPRVDUSCERPZ-UHFFFAOYSA-N 353.484 3.983 0 40 FHAB Cn1c(C(=O)NCCc2nc3c(s2)CCCC3)cc(Cl)c1Cl 84303573 FCYCKSHIDZDGCO-UHFFFAOYSA-N 358.294 3.640 0 40 FHAB CCn1c(Cc2ccccc2)nnc1SCc1ccc(C(=O)O)cc1 8090551 LKWHSINNBQOPBD-UHFFFAOYSA-N 353.447 3.879 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)CCc2ccc(OC)c(OC)c2)c1 8355659 RWYWQRUHXVEIPF-AWEZNQCLSA-N 373.449 3.531 0 40 FHAB Cc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1cccc(C)c1C 8415959 WFLLPOLMTYLCJN-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB CCOC(=O)c1ccc(-n2c(C)c(C(=O)OCC)c3cc(O)ccc32)cc1 969667 YRCQCYDVOXCFJC-UHFFFAOYSA-N 367.401 3.998 0 40 FHAB CN(Cc1ccc(Cl)cc1)CN1C(=O)NC2(CCCCCCC2)C1=O 23641350 FYLXDYHNZJTGBE-UHFFFAOYSA-N 363.889 3.764 0 40 FHAB CC(C)[C@@H]1Nc2ccccc2C(=O)N1CC(=O)Nc1ccc2cc[nH]c2c1 61717959 FVJHPHDAEQGFNE-HXUWFJFHSA-N 362.433 3.656 0 40 FHAB Cc1c(Cl)cc2c(oc(=S)n2[C@H]2CC(=O)[C@@H]3OC[C@@H]2O3)c1Cl 102455809 RBPUDUPCQGACEW-LCWDIZFYSA-N 360.218 3.834 0 40 FHAB CCn1ncc(Br)c1C(=O)Nc1nc2c(C)cccc2s1 28223865 SUACYQGEVNXVRU-UHFFFAOYSA-N 365.256 3.836 0 40 FHAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)N1CCC(Cc3ccccc3)CC1)OC2=O 100260246 NGYSBZSWLSRIEY-VXKWHMMOSA-N 355.478 3.590 0 40 FHAB C[C@H](CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 9232492 FUQZENPRYQCUAT-GFCCVEGCSA-N 350.340 3.564 0 40 FHAB O=C(CSc1ccccc1C(=O)O)Nc1ccc(N2CCCC2)cc1 12595605 VKPYEQHAMNHLGD-UHFFFAOYSA-N 356.447 3.716 0 40 FHAB COc1ccc(-c2cnc(CCC(=O)N(C)Cc3ccccc3)o2)cc1 109418028 AQSPQPAWRVQLEV-UHFFFAOYSA-N 350.418 3.941 0 40 FHAB Cn1cnnc1SCC(=O)Nc1c(Cl)cc(Cl)cc1Cl 3221452 GBCXRVGIJPAACB-UHFFFAOYSA-N 351.646 3.506 0 40 FHAB Cc1nc(NC(=O)c2ccc3[nH]nnc3c2)sc1Cc1ccccc1F 58005168 ZIGFLIHKSWYWPJ-UHFFFAOYSA-N 367.409 3.705 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NCC1(c2ccccc2)CCC1 10221383 FZCAZDYLROLSRE-HXUWFJFHSA-N 364.489 3.679 0 40 FHAB Cc1ncc(CN(C)C(=O)Nc2cccc(NC(=O)c3ccco3)c2)s1 58203487 QPWYDVDZMCCPCP-UHFFFAOYSA-N 370.434 3.961 0 40 FHAB CC[C@H](NC(=O)CSCc1cccnc1)c1nc(-c2ccccc2)c[nH]1 58227679 CCCNUZIEZFACOO-KRWDZBQOSA-N 366.490 3.972 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(CN3CCCC3)cc2)cc1 24114653 XCWYZDMDPYBUTB-SFHVURJKSA-N 352.478 3.675 0 40 FHAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)CSc1nncs1 3389589 HHCNWFXSWSDXJL-UHFFFAOYSA-N 371.509 3.631 0 40 FHAB COC(=O)c1cc(CNC(=O)c2cccc(Cl)c2Cl)ccc1OC 3336393 KZIYJPOUTOSWMJ-UHFFFAOYSA-N 368.216 3.719 0 40 FHAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccccc1Cl 2335550 VNYBQNVEJHUZQC-UHFFFAOYSA-N 371.828 3.853 0 40 FHAB CCN1CCC(N(C(=O)Cc2csc(-c3ccc(C)o3)n2)C2CC2)CC1 48375433 BNWYZZBUARRVRS-UHFFFAOYSA-N 373.522 3.729 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@H](CCN2CCCCC2)c2ccccc2)cc1 12812342 JGMIWXDEIQYHBA-OAQYLSRUSA-N 372.534 3.891 0 40 FHAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1cnccn1 36726959 APRRWVMNFYWNBS-UHFFFAOYSA-N 359.432 3.696 0 40 FHAB Cc1ccc(-c2c(Nc3ccccc3)oc3c2c(=O)n(C)c(=O)n3C)cc1 11614788 YPNFWYCGELKCRD-UHFFFAOYSA-N 361.401 3.549 0 40 FHAB COc1ccccc1CC(=O)c1cccc(I)c1 2579772 NVFQFJFCFBZXON-UHFFFAOYSA-N 352.171 3.725 0 40 FHAB CCN1CCN(C(=S)c2ccc(OCc3ccc(F)cc3)cc2)CC1 408577866 VBLLTUYBOUIFNA-UHFFFAOYSA-N 358.482 3.718 0 40 FHAB CCn1c(SC)nnc1-c1cnn(-c2ccccc2)c1C(F)(F)F 4050794 QJWXLOAUBHVKLJ-UHFFFAOYSA-N 353.373 3.891 0 40 FHAB CCCc1nc(C)c(C(=O)NC(C)(C)c2noc(C(C)(C)C)n2)s1 63957978 GMNPGWHYTQOGCT-UHFFFAOYSA-N 350.488 3.750 0 40 FHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(Cl)c1Cl 8707726 ZHKHVXJUPRWYPQ-UHFFFAOYSA-N 362.216 3.502 0 40 FHAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)sc1Cl 8744816 DDDPQEHMWCGHMA-NSHDSACASA-N 358.246 3.569 0 40 FHAB CC(C)CCCCCCOc1ccc(CNC(=N)NC(=N)N)cc1Cl 4363231 CHGFTOAEZOEWJK-UHFFFAOYSA-N 367.925 3.833 0 40 FHAB CC(C)(C)c1ncc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cn1 65578600 LOPSHDLYIPIVFF-UHFFFAOYSA-N 351.450 3.864 0 40 FHAB O=C(c1cc2c(s1)CCCC2)N1CCC[C@@H]1c1nnc2ccccn12 14161361 FQCFJNYMSGVCQJ-CQSZACIVSA-N 352.463 3.647 0 40 FHAB Cc1n[nH]c(C)c1CC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 6583478 UYQOXVCKNKVEMR-FQEVSTJZSA-N 373.460 3.546 0 40 FHAB CCOC(=O)c1sc2[nH]c(/C=C/c3cccc(OC)c3)nc(=O)c2c1C 6516493 IKHSRLCITWURMQ-CMDGGOBGSA-N 370.430 3.649 0 40 FHAB CCc1ccc(NC(=O)c2cn(CC)c3ccc(OC)cc3c2=O)cc1 22235739 ZUWIJCAFZGCFFI-UHFFFAOYSA-N 350.418 3.845 0 40 FHAB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1 4731483 QZRNZIPFWVFRHB-LJQANCHMSA-N 363.417 3.515 0 40 FHAB CNC(=O)c1ccc(CN(C)c2ncnc3sc4c(c23)CCCC4)cc1 15141236 ZYACHKXOHGNQNM-UHFFFAOYSA-N 366.490 3.566 0 40 FHAB CCCCC(=O)Nc1nnc([C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)s1 9224804 QMLYJCWGYNCZFO-CQSZACIVSA-N 372.494 3.804 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 4945042 LMJXWFDCSLRLHF-UHFFFAOYSA-N 356.403 3.641 0 40 FHAB O=C1CCc2cc(OS(=O)(=O)c3cccc(Cl)c3Cl)ccc2N1 22413822 HBVNSTIZAIDGFA-UHFFFAOYSA-N 372.229 3.646 0 40 FHAB Cc1ccc2cc(CN3CCN(C(=O)c4ccco4)CC3)c(Cl)nc2c1 15480283 JXWKXQKEQDJDFV-UHFFFAOYSA-N 369.852 3.748 0 40 FHAB CCCNC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 7129987 KQRLAAGTZFRWDQ-SNVBAGLBSA-N 351.497 3.541 0 40 FHAB O=C1c2ccccc2N[C@H](c2cc(Cl)c3c(c2)OCCO3)N1C1CC1 7364451 OCWOBLFKMUQZGK-SFHVURJKSA-N 356.809 3.840 0 40 FHAB CCOc1ccc(C(=O)NC[C@H](c2ccc(C)o2)N2CCCCC2)cc1 15860181 ZHYVYBTZEUCQAC-LJQANCHMSA-N 356.466 3.944 0 40 FHAB Cc1cc(CSc2ccccc2C(=O)N2C[C@@H](C)OC(C)(C)C2)on1 68539105 NKBYGUMZCDJOJP-CQSZACIVSA-N 360.479 3.915 0 40 FHAB CCc1sc(-c2nnc(CSc3nnc(C4CC4)n3C)o2)cc1C 8133510 TUSSPHQLOFAWBW-UHFFFAOYSA-N 361.496 3.967 0 40 FHAB Cc1cc(C(=O)CSc2nnc(-c3ccncc3)o2)c(C)n1C1CC1 9691570 VLPNMJUMUANIHX-UHFFFAOYSA-N 354.435 3.860 0 40 FHAB CCCn1c(C)nnc1CSc1nc(C2CC2)n(-c2ccccc2)n1 95448519 MXIUMDXDTLGJJW-UHFFFAOYSA-N 354.483 3.747 0 40 FHAB COc1cccc(-c2noc(CNC(=O)[C@H](C)Sc3ccccc3)n2)c1 95481656 UXWKYUZUOUFZFR-ZDUSSCGKSA-N 369.446 3.542 0 40 FHAB O=C1CN(c2ccccc2)C(=O)N1CCc1cccc(OC(F)(F)F)c1 95993903 DAAGYLIGAXXZNO-UHFFFAOYSA-N 364.323 3.597 0 40 FHAB Fc1ccc(-c2nc(CSc3nnnn3Cc3ccco3)cs2)cc1 95947099 SSMVVENNPZQZJE-UHFFFAOYSA-N 373.438 3.869 0 40 FHAB Cc1cc(C)cc(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)c1 22379538 QOOQJTNMKDUZLN-UHFFFAOYSA-N 374.506 3.832 0 40 FHAB O=C(CSCc1ccc(F)cc1)NCc1ccccc1-n1ccnc1 20452660 ZECQKKZMSVLTIG-UHFFFAOYSA-N 355.438 3.561 0 40 FHAB O=c1[nH]c(=S)n(-c2ccccc2Cl)c2c1CN(C1CCCC1)CN2 20567584 LXWMUKKTFYYSHN-UHFFFAOYSA-N 362.886 3.676 0 40 FHAB CCCOc1ccc(N2C[C@@H](C(=O)NC3CCC(CC)CC3)CC2=O)cc1 408708752 SJKMRSUCJZZENU-ADKAHSJRSA-N 372.509 3.913 0 40 FHAB C[C@@H](OCCCNC(=O)c1ccc(Br)o1)c1ccccc1 32907549 ADVLMHYQGQUTDZ-GFCCVEGCSA-N 352.228 3.940 0 40 FHAB O=C(C[C@H](c1ccsc1)n1cccc1)NCCc1nc2ccccc2[nH]1 524732751 ZJGGCIWXMQZRQS-GOSISDBHSA-N 364.474 3.764 0 40 FHAB Cn1cc(CN2CCC[C@H](c3cccc(Cc4ccccc4F)n3)C2)cn1 72349974 WDMHBJWIQHYPOF-IBGZPJMESA-N 364.468 3.925 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(C)cc2)cc1 35289633 DNYQEAGMUMOTRI-IBGZPJMESA-N 365.433 3.833 0 40 FHAB COc1ccc(NC(=O)CSCc2cc(=O)c3ccc(C)cc3[nH]2)cc1 33063625 OWWNQKBWGVKCPS-UHFFFAOYSA-N 368.458 3.717 0 40 FHAB O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)C1(c2ccc(F)cc2)CC1 70640063 LELDRYKYHCMGDC-INIZCTEOSA-N 367.342 3.726 0 40 FHAB COc1cc(OC)c(NC(=O)NCCc2ccccc2OC)cc1Cl 43413790 GWKKCAVBJBWPLJ-UHFFFAOYSA-N 364.829 3.730 0 40 FHAB Cn1c(Cl)nc2cc(C(=O)NCc3cccn3-c3ccccc3)ccc21 222558735 NGJBILKLBGRGDQ-UHFFFAOYSA-N 364.836 3.947 0 40 FHAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1 44884670 GYZGJTPYMQBXDV-UHFFFAOYSA-N 358.463 3.539 0 40 FHAB CCC(C)(C)NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)cc1 223694350 GNCVNJSLZRBLEP-LGMDPLHJSA-N 372.490 3.832 0 40 FHAB CN(Cc1ccccc1)C(=O)CCc1nc(-c2cccc(Cl)c2)no1 41184834 GEGPOXJZUOLGOV-UHFFFAOYSA-N 355.825 3.981 0 40 FHAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C)c1 224538768 OYCRHGNMFQQLHK-OALUTQOASA-N 364.474 3.606 0 40 FHAB CCOC(=O)c1cccc(NC(=S)NCCCc2ccc(OC)cc2)c1 225557119 MHOWLAPUJRTEJV-UHFFFAOYSA-N 372.490 3.791 0 40 FHAB O=C(NCCc1nc2ccccc2[nH]1)Nc1ccccc1OC(F)(F)F 43878708 HWITYAIHXHGSIB-UHFFFAOYSA-N 364.327 3.826 0 40 FHAB O=C(Nc1ccc2oc(=O)ccc2c1)c1csc(NC2CCCC2)n1 49550902 ZSBGDFNNNOCENX-UHFFFAOYSA-N 355.419 3.856 0 40 FHAB CCOC1(C(=O)Nc2ccc(OCCCN3CCCC3)cc2)CCCC1 225707020 JFWUAZPFLNQINS-UHFFFAOYSA-N 360.498 3.839 0 40 FHAB O=C(c1ccc(-n2cccc2)cc1)N1CC[C@H](N2CCc3ccccc3C2)C1 225686401 BMHNMPJCQOWJBC-QHCPKHFHSA-N 371.484 3.750 0 40 FHAB CCNC(=O)Nc1cccc(-c2cc(C(F)(F)F)cnc2N(C)C)c1 91695500 YFCNGCSZCBWJDW-UHFFFAOYSA-N 352.360 3.975 0 40 FHAB C[C@@H](NC(=O)c1cccs1)c1onc(-c2ccc(F)cc2)c1C(=O)O 96296968 OYHMTQYYUOTCJP-SECBINFHSA-N 360.366 3.731 0 40 FHAB biogenic,in-vitro C[C@@H](CN1CCCC[C@H]1c1ncc2c(n1)CCN(C)C2)c1ccccc1 247720449 AAHATHJUMQGFQP-UWJYYQICSA-N 350.510 3.795 0 40 FHAB Cc1ccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)c4cnccn4)C3)c2)cc1 257223076 DVUKGLIOMIYVMJ-QGZVFWFLSA-N 373.460 3.862 0 40 FHAB Cc1cc(C)nc(N2CCO[C@@H](c3cccc(Cc4ccccc4)n3)C2)n1 257239785 HQTNJLJCQGHBMP-OAQYLSRUSA-N 360.461 3.657 0 40 FHAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N1CCc2c(F)cccc21 639505095 QQGMYDRGEYOCME-UHFFFAOYSA-N 367.424 3.965 0 40 FHAB O=C(C[C@@H]1C=CCC1)Nc1ccnn1Cc1ccc(Br)cc1 32744761 VLHKMPHLNOQOCY-CYBMUJFWSA-N 360.255 3.989 0 40 FHAB C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCN(c2ccccc2Cl)CC1 57024396 KUSLWAACJMFAFO-KRWDZBQOSA-N 371.912 3.509 0 40 FHAB Cc1cccc(C)c1OCC(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 78758623 YRKNEGKBZHNXHJ-SFHVURJKSA-N 356.441 3.607 0 40 FHAB Cc1cccc(CN2CCC(Oc3ncc(Br)cn3)CC2)c1 1203895276 UMQDEHBMMRZWIS-UHFFFAOYSA-N 362.271 3.591 0 40 FHAB COc1ccc(Br)c2c(I)c[nH]c12 575440998 HNERBDSZBBIZLH-UHFFFAOYSA-N 351.969 3.544 0 40 FHAB Cc1cccc(CN2CCC3(CC2)CN(c2cccc(F)c2)C(=O)CO3)c1 1615154752 IGQINJLNHYINQH-UHFFFAOYSA-N 368.452 3.532 0 40 FHAB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(F)cc1F 5721571 YUYGOFYBYMIRBZ-ABROSTTOSA-N 362.420 3.624 0 40 FHAB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 5766022 HENQKUNRGZWKJD-YRNVUSSQSA-N 372.724 3.702 0 40 FHAB COc1ccc(-c2nc(NC(=O)[C@@]3(C)CCCO3)sc2C)cc1F 12191870 RVGFFIJJRRFDOB-QGZVFWFLSA-N 350.415 3.774 0 40 FHAB Cc1cccc(/C=C2\NC(=O)N(Cc3ccc(Br)cc3)C2=O)c1 12462701 SDHDLQIGTVZSAE-YBEGLDIGSA-N 371.234 3.850 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)n2C)cc1 14081738 PEEFTQYMLMCLQZ-UHFFFAOYSA-N 352.463 3.830 0 40 FHAB O=C(NCc1cccc(Cl)c1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 15513848 AKZQZGHWQAVUBK-CYBMUJFWSA-N 363.244 3.663 0 40 FHAB CC(C)CC[C@H](C)NC(=O)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 19309887 QGKSJWCFNITJQO-LSDHHAIUSA-N 369.552 3.520 0 40 FHAB CSCc1nnc(Sc2nc(C)nc3sc4c(c23)CCC4)o1 11000896 KROVIJOPXRPAAY-UHFFFAOYSA-N 350.494 3.886 0 40 FHAB CN(C)C(=O)[C@H](Sc1nnc(-c2ccccc2F)n1C)c1ccccc1 5472116 KYBNVEXTFNWKGM-MRXNPFEDSA-N 370.453 3.543 0 40 FHAB CC1(C)Cc2cccc(OCC(=O)N[C@H]3CCCc4ccccc43)c2O1 5443004 SMILWXHQHMBZBS-SFHVURJKSA-N 351.446 3.973 0 40 FHAB Cc1cc(C(=O)O[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)on1 5565907 ITZJYVXFTRVEJK-QGZVFWFLSA-N 354.337 3.659 0 40 FHAB COc1ccc([C@@H]2CCCN2CC(=O)NCCC2=CCCCC2)c(OC)c1 15366918 XNJLVLXJKHPJJL-FQEVSTJZSA-N 372.509 3.847 0 40 FHAB O=C(c1sccc1F)N1C[C@H]2CCN(CC3CCCC3)CC[C@H]2C1 2056223675 AAGRXNZRHYSQGO-IYBDPMFKSA-N 350.503 3.861 0 40 FHAB COc1cnccc1C(=O)N1CCC2(CC[C@@H](OC)c3ccccc32)CC1 1614941154 QBDLXPDVGCVMDO-LJQANCHMSA-N 366.461 3.746 0 40 FHAB COc1cnccc1C(=O)N1CCC2(CC[C@H](OC)c3ccccc32)CC1 1565556682 QBDLXPDVGCVMDO-IBGZPJMESA-N 366.461 3.746 0 40 FHAB O=C(c1cccc(Cl)c1)N1CCN(c2nc3ccccc3s2)CC1 4223953 WXDPXAUHYDCUSJ-UHFFFAOYSA-N 357.866 3.912 0 40 FHAB Cc1ccc(NC(=O)CSc2ccc(-c3ccncc3)nn2)c(C)c1 4391907 VTHGNSQFHSHTDA-UHFFFAOYSA-N 350.447 3.886 0 40 FHAB COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc(Cl)c1O 5095425 GEGDMOGDFHBWBF-UHFFFAOYSA-N 362.838 3.898 0 40 FHAB O=C(Cc1ccc(-c2ccccc2)cc1)N[C@@H]1CC(=O)N(c2ccccc2)C1 5193425 VPCZIDAIOSQXCM-OAQYLSRUSA-N 370.452 3.818 0 40 FHAB COc1ccc(CC(=O)NC[C@H](c2cccc3ccccc23)N(C)C)cc1 10330383 DXMXORQXAMKKEF-JOCHJYFZSA-N 362.473 3.810 0 40 FHAB O[C@H](CNc1ncc(Br)cn1)c1csc2ccccc12 1775970508 OUFXCIGXBQMJQX-GFCCVEGCSA-N 350.241 3.599 0 40 FHAB CCc1ccc(/C=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)cc1 13748653 UXVYXAOYLNWCNQ-YBEGLDIGSA-N 367.861 3.582 0 40 FHAB O=C(Nc1ccc(N2CCOCC2)nc1)NC1(c2ccccc2)CCCC1 73027541 WXIDTYNUABKOAN-UHFFFAOYSA-N 366.465 3.509 0 40 FHAB Cc1cc(C)n(-c2cccc(NC(=O)c3cc(=O)[nH]c4ccccc34)c2)n1 40089738 SEKILAKTUGMZTO-UHFFFAOYSA-N 358.401 3.583 0 40 FHAB c1ccc(-c2cn3nc(NCc4ccc(-n5ccnc5)nc4)sc3n2)cc1 40059621 PPDPVFMAJAQGJO-UHFFFAOYSA-N 373.445 3.651 0 40 FHAB O=C(NCCCOCc1ccco1)c1cc(F)cc(Br)c1 40106483 RXJXAZRVZXVDSE-UHFFFAOYSA-N 356.191 3.518 0 40 FHAB CN(C)C(=O)c1ccc(Cl)c(NC(=O)N2CCc3ccccc3C2)c1 40104909 GIZRXJXCLOLIDG-UHFFFAOYSA-N 357.841 3.632 0 40 FHAB CCc1nnsc1C(=O)NCC(C)(C)c1ccc(Br)cc1 40108395 RGUUGDYRAXNROZ-UHFFFAOYSA-N 368.300 3.571 0 40 FHAB O=C(COc1cccc(-c2noc(-c3ccccc3F)n2)c1)N1CCCC1 40488333 UVHYWTQKHWCYFE-UHFFFAOYSA-N 367.380 3.544 0 40 FHAB C[C@@H]1[C@@H](NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)CCC[C@H]1C 102214920 LUNSEULJLQMMSX-GJYPPUQNSA-N 370.493 3.975 0 40 FHAB Cc1ccc(C)c([C@@H](C)NC(=O)NCc2ccc(N3CCCC3=O)cc2)c1 32863062 BUYRNSRWAUEPFM-QGZVFWFLSA-N 365.477 3.991 0 40 FHAB Fc1ccc([C@@H]2C=C(c3cccnc3)Nc3nc(C(F)(F)F)nn32)cc1 102518527 JCGBDCYXGYKSDC-AWEZNQCLSA-N 361.302 3.887 0 40 FHAB CCCc1nnc(S)n1CC(=O)N[C@@H](CC(C)(C)C)c1ccccc1 32925292 UAOJBKDMMJZUFQ-HNNXBMFYSA-N 360.527 3.813 0 40 FHAB CC(C)CC(=O)NC(=S)Nc1ccc2oc(-c3cccnc3)nc2c1 724353 SBRDAYMHHVYNFF-UHFFFAOYSA-N 354.435 3.749 0 40 FHAB COc1ccc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)cc1 816743 OJOPQRJVAGUSCM-INIZCTEOSA-N 352.419 3.772 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)Oc3ccc(C)cc3)o2)cc1 867629 GNHBHMKYFZMBBU-UHFFFAOYSA-N 356.403 3.751 0 40 FHAB COC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2s1 1244180 PDOSATGBVNVWDC-UHFFFAOYSA-N 358.444 3.814 0 40 FHAB CCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCC 2060824 GFGRYENGWMAWKX-UHFFFAOYSA-N 366.531 3.676 0 40 FHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1oc2ccccc2c1C 3448927 IELFCDUNLPATIP-UHFFFAOYSA-N 368.408 3.659 0 40 FHAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc(CC)cc2)C1=O 3465019 HHMJMNKTPPRQNK-JOCHJYFZSA-N 364.445 3.679 0 40 FHAB Cc1ccc(Nc2nnc(SCC(=O)Nc3cc(C)on3)s2)cc1 3469747 NPMHJNGJCDMMHK-UHFFFAOYSA-N 361.452 3.617 0 40 FHAB COc1ccc(OC)c(NC(=O)CSc2cn(C)c3ccccc23)c1 4060497 LGRFIKSPPMAQKN-UHFFFAOYSA-N 356.447 3.926 0 40 FHAB CC(C)Oc1ccc(C(=O)N2CCN=C2SCc2cccnc2)cc1 4061140 CLCNFJCEYKWWMR-UHFFFAOYSA-N 355.463 3.614 0 40 FHAB CCN1CCc2cc(OC)c(OC)cc2[C@H]1Cc1ccc(OC)c(OC)c1 4610557 LEMXXRFPPUUCQG-GOSISDBHSA-N 371.477 3.883 0 40 FHAB biogenic,in-vitro COc1ccc(-c2oc(=O)oc2-c2ccc(OC)c(OC)c2)cc1OC 4772372 UHGADBFWGGROAX-UHFFFAOYSA-N 358.346 3.601 0 40 FHAB CCc1ccc(NC(=O)CCc2nc(-c3ccc(OC)cc3)no2)cc1 4933167 XKRCOSQIJXBCHF-UHFFFAOYSA-N 351.406 3.879 0 40 FHAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)NC1CCCCC1 4935837 RBFCFQKYXDIISV-UHFFFAOYSA-N 356.495 3.686 0 40 FHAB COCCN(C(=O)Cc1ccccc1)c1nnc(-c2cccc(C)c2)s1 4982536 KOVGRPFMUWVITQ-UHFFFAOYSA-N 367.474 3.736 0 40 FHAB CCn1c(CCNC(=O)c2ccccc2-c2ccccc2)nnc1SC 5001770 MYPWMLSIPISCLR-UHFFFAOYSA-N 366.490 3.659 0 40 FHAB CCCCC(=O)Nc1ccc(-c2ccc3nnc(-c4ccncc4)n3n2)cc1 5169051 TYRYEVDLSGCQMP-UHFFFAOYSA-N 372.432 3.982 0 40 FHAB Cc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)c1 5897582 SMHQSYSTDOMRRB-UHFFFAOYSA-N 355.463 3.716 0 40 FHAB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1nnc(C2CC2)s1 5965693 NJWJDCKEFXLLCB-OAHLLOKOSA-N 372.494 3.507 0 40 FHAB COc1ccccc1/C=C/C(=O)OCc1cc(=O)oc2cc(C)ccc12 6234339 VRESRUYJQFZULF-CSKARUKUSA-N 350.370 3.867 0 40 FHAB CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 6951678 RFNKAYLHWRZNDT-GZTJUZNOSA-N 356.809 3.832 0 40 FHAB Cc1ccccc1-c1nnc(SCC(=O)Nc2nc(C)c(C)s2)n1C 7341946 FNRUMBKQHYCXBW-UHFFFAOYSA-N 373.507 3.595 0 40 FHAB CNC(=O)c1ccc(NC(=O)COc2ccccc2-c2ccccc2)cc1 7597208 VMWQUOBILMBCRN-UHFFFAOYSA-N 360.413 3.731 0 40 FHAB CC[C@H](Oc1ccccc1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 7759838 WGRHVCBQCDIYSP-SFHVURJKSA-N 365.433 3.861 0 40 FHAB CC[C@H](Oc1ccccc1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 7759842 XGXWSOZTSOGEKJ-SFHVURJKSA-N 365.433 3.861 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCOc1ccc(Cl)cc1 8163198 IWUBHNIVLYEGRN-UHFFFAOYSA-N 369.852 3.951 0 40 FHAB C[C@@H](CNC(=O)COc1ccc(F)cc1Br)c1ccccc1 8167474 VEJUTFOCGCUVFQ-LBPRGKRZSA-N 366.230 3.887 0 40 FHAB C[C@H](NC(=O)CCc1nc(-c2ccc(F)cc2)no1)c1ccc(F)cc1 8303267 SOMWAUXGAYULSM-LBPRGKRZSA-N 357.360 3.825 0 40 FHAB CCc1n[nH]c(=S)n1NCc1ccccc1OCc1ccccc1F 8339435 WVSCFPXZUUODHS-UHFFFAOYSA-N 358.442 3.965 0 40 FHAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccn2C)c(OC)c1 8706964 UEISDZFEGDMIFK-HXUWFJFHSA-N 363.417 3.813 0 40 FHAB COC(=O)c1ccccc1NCn1nc(-c2ccc(OC)cc2)oc1=S 9246920 UEWCKHZZVXNWAF-UHFFFAOYSA-N 371.418 3.737 0 40 FHAB Cc1ccc(-n2nnnc2SCC(=O)c2cc(F)ccc2F)c(C)c1 9691140 XXLWABCWMOEFKK-UHFFFAOYSA-N 360.389 3.532 0 40 FHAB COC(CNCc1cn(-c2ccccc2C)nc1-c1ccccc1)OC 9995295 MNOSFGVZGIPSIY-UHFFFAOYSA-N 351.450 3.556 0 40 FHAB Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1NS(C)(=O)=O 10330085 HYVGXPMJYCQQQE-UHFFFAOYSA-N 372.368 3.638 0 40 FHAB CC(C)NC(=O)NC(=O)[C@H](C)Sc1ncc(-c2ccc(Cl)cc2)o1 11300669 LPDOMBLFWYTKPP-JTQLQIEISA-N 367.858 3.710 0 40 FHAB O=C(Cn1nnc2ccccc21)N1[C@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 12181003 GKFSEUTYXRYZCY-ZNXRZULTSA-N 364.424 3.508 0 40 FHAB Cc1ccc(C2(O)CCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)cc1 12330689 DJIVAVGIMMYYQV-UHFFFAOYSA-N 365.452 3.803 0 40 FHAB C[C@@H](NC(=O)c1cc2ccccc2o1)C(=O)Nc1nc2ccccc2s1 12390233 DTVPXIMHHGNCMC-LLVKDONJSA-N 365.414 3.800 0 40 FHAB CCCOc1c(Cl)cc(C(=O)NCCc2ccccn2)cc1OCC 12549372 XHJJDZQLVALMJU-UHFFFAOYSA-N 362.857 3.895 0 40 FHAB NC(=O)c1cc(SCc2nc(-c3cccs3)no2)nc2ccccc12 12648088 LGSHZWCEWVOCSI-UHFFFAOYSA-N 368.443 3.738 0 40 FHAB COc1cccc(CNC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)c1 12775346 GJBOGKVTZXLYLK-UHFFFAOYSA-N 353.397 3.567 0 40 FHAB C[C@H]1CCN(C(=O)COC(=O)c2cc(Cl)c[nH]2)c2ccccc2S1 12889477 ZVVSUMYISOROPI-NSHDSACASA-N 364.854 3.742 0 40 FHAB COc1ccccc1C(=O)/N=c1/[nH]c2c(cc(OC)c3ncccc32)s1 13690697 SJRKLLMCXOAHRN-UHFFFAOYSA-N 365.414 3.536 0 40 FHAB O=C1C[C@H](c2cccc(Cl)c2)c2c(O)nc3nc4ccccc4n3c2N1 13723041 YOBXKENXQIPGNK-GFCCVEGCSA-N 364.792 3.716 0 40 FHAB CNC(=O)c1ccc(CN(C)C(=O)c2ccccc2Cc2ccccc2)cc1 14182355 ARCVKYBOHUGMHE-UHFFFAOYSA-N 372.468 3.909 0 40 FHAB CCCCS(=O)(=O)Nc1cnn(Cc2ccc(Cl)cc2Cl)c1 14224622 QNXXUELRNWDPFQ-UHFFFAOYSA-N 362.282 3.780 0 40 FHAB CN(Cc1nc2ccccc2s1)C(=O)c1cccnc1N1CCCC1 14235237 PPPOKNLMPSFSTP-UHFFFAOYSA-N 352.463 3.564 0 40 FHAB CS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cc2ccccc2)cc1 14784723 WMVCZQIHCCPWKI-UHFFFAOYSA-N 365.454 3.933 0 40 FHAB COc1ccc(-c2nc(CNC(=O)COc3ccccc3)cs2)cc1 15832654 SWZFJUYEOQMPBT-UHFFFAOYSA-N 354.431 3.514 0 40 FHAB O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 16025390 RNCNSDCOWICWLD-QSVDNLTKSA-N 366.505 3.510 0 40 FHAB CCC[C@H](C)NC(=O)COC(=O)c1cc(C)n(Cc2ccccc2)c1C 16685147 QZMBJTGTXYIBKP-HNNXBMFYSA-N 356.466 3.615 0 40 FHAB CCN1C[C@@H](CN(C)C(=O)NCc2cccc(Cl)c2)Oc2ccccc21 17068237 PFBHNAJAAFDWLE-QGZVFWFLSA-N 373.884 3.769 0 40 FHAB Oc1cc(-c2ccccn2)nc(SCc2nc(-c3ccccc3)no2)n1 17192262 ONXIYGWPQAXTJS-UHFFFAOYSA-N 363.402 3.587 0 40 FHAB COc1ccc(CCNC(=O)Cc2csc(-c3ccsc3)n2)cc1 19199150 WMOODJSNYJIOEN-UHFFFAOYSA-N 358.488 3.782 0 40 FHAB CCc1cc(C(F)(F)F)c2c(C3CCN(C(=O)C4CC4)CC3)noc2n1 19522033 BCIIMUUTZCRTOU-UHFFFAOYSA-N 367.371 3.920 0 40 FHAB COc1cc(C)c(Br)cc1S(=O)(=O)NCC1=CCCCC1 19942798 JJJBCJJGZFLKLA-UHFFFAOYSA-N 374.300 3.545 0 40 FHAB Cc1c(Cl)cccc1N(CC(=O)O)S(=O)(=O)c1ccc(Cl)cc1 20061338 IDCBGRHSDXBRBF-UHFFFAOYSA-N 374.245 3.582 0 40 FHAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc(C3CC3)nc3ccccc23)C1 20902574 WGVHJQXCLBSESO-HNNXBMFYSA-N 352.434 3.528 0 40 FHAB Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(F)cc3F)[nH]n2)cc1 22286505 GYAIVJUPAUUXSZ-UHFFFAOYSA-N 356.328 3.703 0 40 FHAB COc1cc(CN(C(=O)c2ccc(C)nc2)C2CC2)ccc1OC(F)F 22877416 WCRXTLXUUWWYGS-UHFFFAOYSA-N 362.376 3.805 0 40 FHAB Cc1cccc(NC(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)n1 23143101 LGONRCBQRXGPHP-UHFFFAOYSA-N 373.460 3.702 0 40 FHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc2c(s1)CCC2 24330230 BUEZVQGZWYFODA-ZDUSSCGKSA-N 352.463 3.651 0 40 FHAB O=C1COc2cc(NC(=O)c3ccccc3C(F)(F)F)c(Cl)cc2N1 24570414 VXGMYERIKLEXKO-UHFFFAOYSA-N 370.714 3.942 0 40 FHAB Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccsc2)c1C 25014327 VOVZPBIJEYQBBL-QGZVFWFLSA-N 372.490 3.625 0 40 FHAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1cc(-c2ccccc2F)on1 27842867 BZZCDDBJBRLCDX-HNNXBMFYSA-N 365.408 3.737 0 40 FHAB O=C(c1ccc(F)c(F)c1F)N1CCN(c2cccc(Cl)c2)CC1 28210925 AQJIMIKSAUSLKL-UHFFFAOYSA-N 354.759 3.720 0 40 FHAB CCn1ncc(Br)c1C(=O)Nc1ccc(OC)c(Cl)c1 28223785 XZHWNKLYAQWOJX-UHFFFAOYSA-N 358.623 3.580 0 40 FHAB C[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(-c2ccccc2)cc1 29097877 NAUJIVCDNNKLLR-MRXNPFEDSA-N 369.428 3.820 0 40 FHAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1Cl 30848138 XUUGQDQERYNEJT-XBXARRHUSA-N 373.792 3.897 0 40 FHAB Cc1noc2ncc(C(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)cc12 30976449 PJPBCLJUGBXUTG-UHFFFAOYSA-N 358.401 3.942 0 40 FHAB O=C(Cn1cccc(C(F)(F)F)c1=O)c1ccc(Br)cc1 31813331 HVQGUABUKVBYQJ-UHFFFAOYSA-N 360.129 3.513 0 40 FHAB Cc1cccc2sc(NC(=O)CCCNC(=O)c3cccs3)nc12 32717040 FTCOPUDTIGQNDE-UHFFFAOYSA-N 359.476 3.815 0 40 FHAB COc1ccc(CNC(=O)c2ccc(C)c(-n3cccc3)c2)cc1OC 32878749 KNXCODGAHLAASX-UHFFFAOYSA-N 350.418 3.733 0 40 FHAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)N3CCC[C@H](O)C3)ccc21 34884315 BUICEAFQOSKHBB-RDJZCZTQSA-N 365.477 3.598 0 40 FHAB Cc1cccc([C@H](c2sc3nc(C)nn3c2O)N2CCC[C@H](C)C2)c1 36066072 OWEOZWPOVTUCPZ-XJKSGUPXSA-N 356.495 3.935 0 40 FHAB Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1nccs1 36398570 VFTHBCBPDWVJOF-UHFFFAOYSA-N 350.241 3.877 0 40 FHAB CC[C@@H](C)[C@@H](CO)NC(=O)c1sc(-c2ccccc2Cl)nc1C 36579883 JWBZAQHBGAYKIK-QMTHXVAHSA-N 352.887 3.909 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)COc1ccc(NC(=O)c2ccco2)cc1 39475806 RAADJTYVOGMPCQ-WMLDXEAASA-N 356.422 3.606 0 40 FHAB COc1ccc(C)cc1NC(=O)C1CCN(Cc2ccccc2F)CC1 39773255 IVMXXYZDMABNCE-UHFFFAOYSA-N 356.441 3.993 0 40 FHAB CCOc1ccccc1NC(=O)[C@H](Nc1ccn(C)n1)c1ccccc1 40039037 ZRDHPTJEJKKBCL-LJQANCHMSA-N 350.422 3.611 0 40 FHAB O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1cnc2ccccc2n1 42381273 RWXDLUPBIPIGTQ-UHFFFAOYSA-N 357.782 3.647 0 40 FHAB COc1ccc(CCN(C)Cc2noc(-c3cccc(C)c3)n2)cc1OC 46055677 PHBWGDGREMRJAM-UHFFFAOYSA-N 367.449 3.737 0 40 FHAB O=C(Nc1nnc(-c2ccccn2)s1)[C@@H]1CCCC[C@H]1C(F)(F)F 46756811 UTPROPUNFJURAL-NXEZZACHSA-N 356.373 3.907 0 40 FHAB CC(=O)c1cc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)n(C)c1 52990705 VOLCURKIJYQWSS-UHFFFAOYSA-N 357.410 3.666 0 40 FHAB CC(C)c1ccsc1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 53154153 RDIHSCGBNDJGLB-GFCCVEGCSA-N 351.493 3.766 0 40 FHAB Fc1ccccc1OCCN1CCN(c2nsc3ccccc23)CC1 57151949 SCAUGZNHKHYTKE-UHFFFAOYSA-N 357.454 3.636 0 40 FHAB COc1cc(CCC(=O)Nc2ncccc2C)ccc1OCC(F)(F)F 58192517 QHIJSVXAEXHHNL-UHFFFAOYSA-N 368.355 3.911 0 40 FHAB Cc1ccc(-c2nnc(S)n2CC(=O)NC(C)(C)c2ccccc2)cc1 61432234 BINDDNQZGVYMBS-UHFFFAOYSA-N 366.490 3.594 0 40 FHAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cccc(C[S@@](C)=O)c1 65565957 IZBKBXAYXORJOH-RXBISOJRSA-N 366.486 3.806 0 40 FHAB Cc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccc(Br)cc1 72228967 MWABNODMRGBLQD-UHFFFAOYSA-N 371.238 3.899 0 40 FHAB CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(c2cc(C)nc(C)n2)C1 72352431 WNXACOQANJXMTK-CQSZACIVSA-N 366.490 3.662 0 40 FHAB Cn1cc(CN2CCC[C@@H]2c2cccc(Cc3ccccc3F)n2)cn1 72358122 JJZWXGCGTBCBLY-OAQYLSRUSA-N 350.441 3.882 0 40 FHAB CCNC(=O)c1ccc(NC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cc1 77274021 DQYZQBPRJUCXKZ-YOEHRIQHSA-N 369.440 3.985 0 40 FHAB Cc1nc(C2CCCC2)sc1C(=O)N[C@H](C)[C@H](O)Cc1ccccc1 89559309 VPXPUTVHRHTBHG-CXAGYDPISA-N 358.507 3.831 0 40 FHAB Cc1cccc(C(=O)N2CCC3(CCOC[C@@H]3COCC3CC3)CC2)c1 96106486 QHNNYBNAOCITEE-HXUWFJFHSA-N 357.494 3.681 0 40 FHAB Cc1nc([C@@H]2COCCN2C(=O)CCc2ccccc2Cl)cs1 96217612 SYKAUKKIEQFFNF-INIZCTEOSA-N 350.871 3.638 0 40 FHAB CCc1ccc(NC(=O)N2CC[C@]3(C[C@H]3C(=O)Nc3cccnc3)C2)cc1 96226900 VYSHIZQHEWEMAE-RXVVDRJESA-N 364.449 3.527 0 40 FHAB CO[C@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)c1cccc(F)c1 96388304 RYFCCRQBADMXEA-OAHLLOKOSA-N 357.303 3.842 0 40 FHAB Cc1n[nH]c(C)c1[C@@H](C)c1nc(-c2ccc(N3CCCCC3)nc2)no1 97164386 YIRMGJVXFJNVKX-GFCCVEGCSA-N 352.442 3.614 0 40 FHAB O=C(COc1ccc2ccccc2c1)N1CCN([C@H]2C[C@@H]3CC[C@@H]2C3)CC1 100609663 CIQVBVNZVDDABJ-ZNLUXHQJSA-N 364.489 3.551 0 40 FHAB O=C(/N=c1/sccn1Cc1ccccc1)c1cnc(-c2ccccc2)nc1 104174380 CAEYPUVWJHNQOR-DARPEHSRSA-N 372.453 3.796 0 40 FHAB CC(C)c1nnc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)[nH]1 104384730 GKFGFJMXCWJYPB-UHFFFAOYSA-N 358.405 3.791 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 175126069 WTYIXQLZCXLIKQ-GUYCJALGSA-N 361.413 3.878 0 40 FHAB COCc1ccc(NC(=O)N(C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 192529111 VNBZADPQKDUXKQ-HXUWFJFHSA-N 367.493 3.819 0 40 FHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1-n1ccnc1 216448177 RABFTYNQWUZIOW-CQSZACIVSA-N 355.825 3.609 0 40 FHAB CCCOc1ccc(C(=O)NCCCc2ccc(OC)c(OC)c2)cc1 218982403 YZSNBXWZDALESR-UHFFFAOYSA-N 357.450 3.855 0 40 FHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1 224974317 OOEPVTITDBWUIL-QZTJIDSGSA-N 352.478 3.561 0 40 FHAB CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1cccs1 225143105 MRVZZWMXJHNSIQ-UHFFFAOYSA-N 361.872 3.634 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)NCCSCc1ccccc1Cl 225592108 LDILQFARQLIOMK-UHFFFAOYSA-N 373.902 3.999 0 40 FHAB COc1ccc(CCC(=O)NC[C@H](OC)c2cc3ccccc3o2)cc1 244933172 CEXBCVKIIFOAFB-FQEVSTJZSA-N 353.418 3.878 0 40 FHAB CC(C)C[C@H](C(=O)NC1CCCCCCC1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 245228063 ATHKDBDBTGEMFW-GUDVDZBRSA-N 374.525 3.581 0 40 FHAB Cc1cccc(CN2CCC3(CC2)OCC[C@H]3CCOc2ccccn2)n1 247866467 IYSSJTVVBYFMJD-LJQANCHMSA-N 367.493 3.625 0 40 FHAB Cc1cc(-c2c(C)noc2C)nc([C@@H]2CCCCN2Cc2cnccn2)n1 257209857 BSERFLTZAQSVCG-SFHVURJKSA-N 364.453 3.574 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1C(=O)NCC(C)C 408584851 VXCZCFPUYZCMEO-UHFFFAOYSA-N 374.506 3.798 0 40 FHAB Cc1ccc(N2C[C@@H](C(=O)Oc3cccc4cccnc34)CC2=O)c(C)c1 408673637 XHAXNBNWABAOOB-KRWDZBQOSA-N 360.413 3.810 0 40 FHAB CCC[C@@H](CC)NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(-c2ccc(F)cc2)c1 511060581 FUJRQOCCDKKSGZ-RRMPHLOHSA-N 372.488 3.699 0 40 FHAB CC(C)C(=O)Nc1cc(C(=O)N2CCC[C@H]2/C=C/c2ccccc2)ccn1 551844042 UGEFMCAHJXZJAB-VYENPZKTSA-N 363.461 3.994 0 40 FHAB COc1ccc(C(=O)C2CCN([C@H](C(=O)O)c3ccccc3C)CC2)cc1 581315587 JVXIZQORVCCIMB-FQEVSTJZSA-N 367.445 3.724 0 40 FHAB C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1Cc1ccc(Oc2ccccc2)o1 583615069 WPSJJOYJDQVMOP-DYXWJJEUSA-N 357.450 3.824 0 40 FHAB CC1(C)C[C@H](NC(=O)c2nnc(O)c3ccccc23)c2cc(F)ccc2O1 652818569 KUBDFEVNLLHKAC-HNNXBMFYSA-N 367.380 3.507 0 40 FHAB C[C@@H]1Cc2cc(C(=O)O)sc2C2(CCN(C(=O)OC(C)(C)C)CC2)O1 669370610 QUHPPEUFDMGMPM-LLVKDONJSA-N 367.467 3.634 0 40 FHAB CC1(C)C[C@@H](NC(=O)NCc2cn3ccccc3n2)c2ccc(F)cc2O1 675880447 BQLGJDXKSULEFS-MRXNPFEDSA-N 368.412 3.575 0 40 FHAB CC(C)(Cc1nc2ccccc2[nH]1)C(=O)N[C@@H]1COc2cc(F)cc(F)c21 684929725 RNIUTCKUFJPBBG-OAHLLOKOSA-N 371.387 3.660 0 40 FHAB C[C@H](NC(=O)c1nn[nH]c1Nc1cccc(Cl)c1)c1ccc(F)cc1 826583328 LMPSLXDYHKDRAK-JTQLQIEISA-N 359.792 3.832 0 40 FHAB C[C@@H](NC(=O)C(=O)NCc1cc(-c2ccoc2)cs1)c1ccccc1 1775970070 ZWUSUUPSIVLERI-CYBMUJFWSA-N 354.431 3.502 0 40 FHAB Cc1cc(OCC2CCN(C(=O)C3CCC(F)(F)CC3)CC2)ccn1 1775995436 VVJIWFRKNFVLLB-UHFFFAOYSA-N 352.425 3.833 0 40 FHAB Cc1cc(CN2CCC[C@H](COc3ncccc3C(F)(F)F)C2)on1 1776000847 MVRFRYSMTYGRNB-ZDUSSCGKSA-N 355.360 3.688 0 40 FHAB CSc1ccccc1NC(=O)N1CC[C@H]2C[C@]21C(=O)N1CCC(C)CC1 2056225215 INRYCRSPEFVFSD-MGPUTAFESA-N 373.522 3.663 0 40 FHAB COc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)Nc3ncnn32)cc1OC 803083 SWTOADYHIHGCBX-CVEARBPZSA-N 354.385 3.581 0 40 FHAB O=C(NCCc1ccccc1)c1ccccc1C(=O)NCCc1ccccc1 842496 MXRMYTXEYXDTLP-UHFFFAOYSA-N 372.468 3.632 0 40 FHAB C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2Cl)o1 917107 VAOZYMQTAMJNQK-LLVKDONJSA-N 351.859 3.883 0 40 FHAB Cc1cccc(-c2cc3nc4c(c(N5CCC(O)CC5)n3n2)CCCC4)c1 1341568 XQLZXRAYKJDVFX-UHFFFAOYSA-N 362.477 3.545 0 40 FHAB Cc1ccc2c(c1)[C@]1(S[C@@H](C)C(=O)N1c1ccc(Cl)cc1)C(=O)N2 1592910 AXMXQDBPLGTQAW-VOJFVSQTSA-N 358.850 3.922 0 40 FHAB Cc1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)oc2ccc(Br)cc12 3296433 KQHMXVSJTJKYBL-NXEZZACHSA-N 352.228 3.753 0 40 FHAB Cc1c(Cl)cccc1NC(=O)CSc1nncn1-c1ccccc1 3452924 DOMNHIOHIHYXGS-UHFFFAOYSA-N 358.854 3.960 0 40 FHAB CC(=O)c1ccccc1NC(=O)COC(=O)c1cc2c(s1)CCCC2 3498798 BLIANSSRNBYKPH-UHFFFAOYSA-N 357.431 3.625 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)cc1 3517729 HQIGAJICHOFEBP-IBGZPJMESA-N 352.434 3.591 0 40 FHAB COc1cccc(C(=O)NCCSc2ncc(-c3ccc(C)cc3)[nH]2)c1 4315411 IZUJPHCFHYBFLO-UHFFFAOYSA-N 367.474 3.916 0 40 FHAB CCOC(=O)COc1ccc2oc(=O)c(-c3ccc(OC)cc3)c(C)c2c1 4340672 PHHOCDOIWANLLU-UHFFFAOYSA-N 368.385 3.719 0 40 FHAB biogenic CC(=O)Nc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 4350145 KTUWGQCRMRYDQF-UHFFFAOYSA-N 352.312 3.681 0 40 FHAB Cc1cccc(C)c1NC(=O)C1(NC(=O)c2cccnc2)CCCCC1 4682418 OWXKKWWAHQDSEW-UHFFFAOYSA-N 351.450 3.770 0 40 FHAB COc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1C(C)C 4736118 OHEVAUPUZWGFNG-UHFFFAOYSA-N 372.450 3.858 0 40 FHAB CCC(=O)NCc1nnc2c3ccccc3c(-c3ccc(Cl)cc3)nn12 5243690 RYPDXEDXLIFIPF-UHFFFAOYSA-N 365.824 3.624 0 40 FHAB CCCCNC(=O)N(O)[C@H]1N(CCCC)C(=O)N(C2CCCC2)C1(C)C 5249346 IHXYKFLAUYPIGB-MRXNPFEDSA-N 368.522 3.772 0 40 FHAB CC1(C)Cc2cccc(OCC(=O)Nc3nc4c(s3)CCCC4)c2O1 5786569 LGVOTRIWYXKZCI-UHFFFAOYSA-N 358.463 3.753 0 40 FHAB Cc1cc(NC(=S)NC(=O)C(C)C)cc(-c2nc3ccccc3o2)c1O 6613128 PCXPZNBPVDJRSE-UHFFFAOYSA-N 369.446 3.978 0 40 FHAB CC[C@H](C)C(=O)N1CCc2c([nH]c3ccccc23)[C@]12C(=O)Nc1ccccc12 6624634 ADZLPMYXNRDXAT-LFVRLGFBSA-N 373.456 3.794 0 40 FHAB biogenic Cc1ccc(OCC(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1 6736958 UVLNFRUJFLGVLD-UHFFFAOYSA-N 365.433 3.861 0 40 FHAB CCc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OCc2ccccc2)cc1 6791748 ATDKZSZUVFRBPX-IBGZPJMESA-N 366.486 3.785 0 40 FHAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C)cc1C 7053144 NXYPPKRFOAIERB-UHFFFAOYSA-N 370.268 3.875 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)Sc2nnc(C3CC3)n2-c2ccccc2)no1 7171815 QSMGWVCVJIMHGS-GFCCVEGCSA-N 369.450 3.560 0 40 FHAB CCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 7262424 PXNRHAVGSHRAFB-UHFFFAOYSA-N 374.506 3.925 0 40 FHAB COc1ccc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1 7408059 FVRBIWIAEVKJSU-UHFFFAOYSA-N 367.232 3.713 0 40 FHAB COc1cc(C(=O)O)cc(Br)c1OCc1ccccc1F 7604001 KDORUASNVFEFKA-UHFFFAOYSA-N 355.159 3.874 0 40 FHAB Cc1ccc(-c2noc(CNC(=O)COc3ccc(C(C)C)cc3)n2)cc1 7759606 CSDQXCVMHQPLBP-UHFFFAOYSA-N 365.433 3.864 0 40 FHAB CC(C)c1cc(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)on1 7973916 ITVGWMRYMAYIHM-UHFFFAOYSA-N 362.451 3.924 0 40 FHAB COc1ccc(NC(=O)c2ccc(OCc3csc(C)n3)cc2)cn1 8078022 HEJPRYVAVDDMER-UHFFFAOYSA-N 355.419 3.686 0 40 FHAB O=S(=O)(NCCc1cccc(Cl)c1)c1ccccc1Br 8167963 AXUBCZPCELBMPK-UHFFFAOYSA-N 374.687 3.624 0 40 FHAB COc1cc(OC)cc(C(=O)NCC2(N3CCCCC3)CCCCC2)c1 8193936 PUOFSZXNWVYTDA-UHFFFAOYSA-N 360.498 3.622 0 40 FHAB CCc1nnc2sc(-c3ccc(NC(=O)c4cccc(F)c4)cc3)nn12 8202941 PIPDGGHMYHURJT-UHFFFAOYSA-N 367.409 3.807 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)OCCOc1ccccc1 8325120 DCRFRCWGKHJYIE-UHFFFAOYSA-N 354.381 3.864 0 40 FHAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc4nc(C)sc4c3)CC2=O)cc1 8351595 APGJLHKQQBYKMD-AWEZNQCLSA-N 365.458 3.905 0 40 FHAB CC1(C)Cc2cccc(OCC(=O)N3CCSc4ccccc43)c2O1 8429162 GWZPOECZIYPSKO-UHFFFAOYSA-N 355.459 3.918 0 40 FHAB COc1cccc([C@H](NC(=O)Nc2ccc(C)cc2)c2nccn2C)c1 9115406 WUGBRWWNMANAIK-SFHVURJKSA-N 350.422 3.648 0 40 FHAB COc1cccc(C(=S)N2CCN(c3cccc(Cl)c3)CC2)c1O 9188010 TUSBHLCMTPYBEX-UHFFFAOYSA-N 362.882 3.552 0 40 FHAB CN(C)C[C@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1 9578958 PTRWSJDNHNJLLH-NRFANRHFSA-N 374.488 3.782 0 40 FHAB COc1ccc(OC)c(C(=O)NCC2(N3CCCCC3)CCCCC2)c1 10026479 QGHDAZTVJBAFFM-UHFFFAOYSA-N 360.498 3.622 0 40 FHAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)OCC(=O)c1ccccc1 10026706 KNRDNGVGRGVCGQ-UHFFFAOYSA-N 369.398 3.942 0 40 FHAB CCC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 10314998 IBZUTQAWGIZGBG-HNNXBMFYSA-N 360.479 3.714 0 40 FHAB COc1ccc(CC(=O)Nc2ccc(Sc3nccn3C)cc2)cc1F 10424734 JZWYFAJYCIESII-UHFFFAOYSA-N 371.437 3.900 0 40 FHAB O=C(NC(c1ccccc1)c1ccccc1)c1nc(-c2ccncc2)no1 12321274 XTAVPMJSRYZJHX-UHFFFAOYSA-N 356.385 3.651 0 40 FHAB COC(=O)c1cccc2c1CCCN2C(=O)c1cc(Cl)nc(Cl)c1 12945452 FXMJVGVOBMPTLO-UHFFFAOYSA-N 365.216 3.768 0 40 FHAB COc1ccc(CCNC(=O)N(C)Cc2ccc(SC)cc2)cc1OC 13012399 MCZPFRSFQXIWLX-UHFFFAOYSA-N 374.506 3.810 0 40 FHAB Cc1cc2nnc(SCC(=O)N3CCCCCC3)n2c2ccccc12 13146290 NXTYSCHHLOQOTM-UHFFFAOYSA-N 354.479 3.686 0 40 FHAB CC1(C)C[C@]2(C[C@@H](c3ccccc3)c3ccc(O)cc3O2)NC(=S)N1 13571048 REZKDIKSEAMYQF-OXJNMPFZSA-N 354.475 3.649 0 40 FHAB CCC[C@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2ON1c1ccccc1 13598357 YQUPYKFFHHVBLL-KSZLIROESA-N 370.836 3.819 0 40 FHAB Cc1nc(C)c(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)s1 13683176 FGSVJYJVYPYESV-UHFFFAOYSA-N 350.871 3.537 0 40 FHAB COc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)cc1OC 14797008 YPQXNSFKHNPABL-UHFFFAOYSA-N 363.797 3.771 0 40 FHAB Cc1cc2occ(CC(=O)NCCc3ccc4c(c3)OCCO4)c2cc1C 14866870 GTINNEZEMCVPJP-UHFFFAOYSA-N 365.429 3.722 0 40 FHAB C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(S(C)(=O)=O)cc1 15197059 PJQFHRARNOWGEX-LLVKDONJSA-N 371.380 3.600 0 40 FHAB O=C(Nc1nc(-c2ccc(Br)o2)ns1)c1ccccc1 15859940 UJWWUJLFKPAPMJ-UHFFFAOYSA-N 350.197 3.813 0 40 FHAB COc1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)c1 15883098 UJGHFPAIHLNQJN-UHFFFAOYSA-N 368.820 3.811 0 40 FHAB O=C(CCCCCCCCC(=O)OC[C@H]1CCCO1)OC[C@@H]1CCCO1 17920138 RHWOXBBBVFKHAN-HDICACEKSA-N 370.486 3.552 0 40 FHAB Cc1ccc(-c2nnc(CNC(=O)C3(c4ccc(F)cc4)CC3)o2)s1 19217875 MRFNMNSHHCMUEY-UHFFFAOYSA-N 357.410 3.594 0 40 FHAB C[C@H]1Cc2cc([C@H](O)CN(C)Cc3ccccc3)ccc2N1C(=O)C1CC1 19497835 DJGIJPOUZSNHIL-KSFYIVLOSA-N 364.489 3.540 0 40 FHAB Cc1c(C(=O)Nc2ccccc2OC(F)(F)F)nnn1-c1ccccc1 19910887 IGNORXAEJBSTCC-UHFFFAOYSA-N 362.311 3.727 0 40 FHAB Fc1ccc(Br)cc1CNC[C@@H]1COc2ccccc2O1 20567258 ITFZNTRIAHGNGD-CYBMUJFWSA-N 352.203 3.518 0 40 FHAB O=C1Nc2c(Cl)cccc2[C@]12CC(O)=Nc1c2cnn1-c1ccccc1 20727364 GRPMAZVNMROVSD-IBGZPJMESA-N 364.792 3.756 0 40 FHAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(=O)n(-c2ccccc2)n1 24489515 SYJXZWAQZMVUMV-UHFFFAOYSA-N 360.200 3.792 0 40 FHAB CC(=O)Nc1nc(COC(=O)c2cc(Cl)sc2Cl)cs1 24543994 JHMBSJCFJDPUAF-UHFFFAOYSA-N 351.236 3.827 0 40 FHAB O=C(NC1CCCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 28644553 KDRINFMAOFTEME-UHFFFAOYSA-N 372.490 3.940 0 40 FHAB O[C@H](c1ccccc1)C1CCN(Cc2nc(-c3cccs3)no2)CC1 29477465 RUYLNTGVGATJSG-GOSISDBHSA-N 355.463 3.744 0 40 FHAB O=C(OCCOc1cccc(Cl)c1)c1cccc(N2CCCC2=O)c1 32745497 FYYDCYMHDAIUOY-UHFFFAOYSA-N 359.809 3.703 0 40 FHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CC(=O)Nc2ccccc21 32865692 QEQZNASLGOVMLS-UHFFFAOYSA-N 371.462 3.640 0 40 FHAB COc1cc(NC(=O)c2ccc(N3CCC(C)=N3)cc2)cc(OC)c1OC 32926008 XUDNDXMGOYCWHD-UHFFFAOYSA-N 369.421 3.551 0 40 FHAB CC(C)[C@@H](C(=O)Nc1ccc(N2CCCC2)nc1)n1cnc2ccccc21 32932570 KTHOGKHOYLQOMQ-FQEVSTJZSA-N 363.465 3.867 0 40 FHAB O=S(=O)(Nc1cccc(Cl)c1)c1ccc2c(c1)N=C(O)CS2 36353207 CEVJLFBTLCWFAK-UHFFFAOYSA-N 354.840 3.835 0 40 FHAB O=C(/C=C/c1ccco1)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 38518841 RQVGBKRAFQIKJI-BQYQJAHWSA-N 367.380 3.888 0 40 FHAB C[C@@H](Sc1nncs1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 40134954 BHDMFWMHPSWYRF-SNVBAGLBSA-N 363.464 3.699 0 40 FHAB CC(C)CCn1ccc2nc3ncnn3c(-c3cccc(Cl)c3)c2c1=O 40397977 BCRWJEHJLOZIKD-UHFFFAOYSA-N 367.840 3.806 0 40 FHAB COc1ccccc1-c1nc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)no1 44421723 ITCNJCKNRYGUPS-LBPRGKRZSA-N 369.808 3.919 0 40 FHAB O=C(Cc1ccccc1Cl)N1CC(c2nc(-c3cccs3)no2)C1 49484302 PHUDHHDZZWQHHS-UHFFFAOYSA-N 359.838 3.620 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCN([C@H]3CCCC[C@@H]3C)CC2)cc1Cl 57698443 GIUIVAMVPPCYOA-YJBOKZPZSA-N 370.946 3.533 0 40 FHAB O=C(CCCc1cccs1)Nc1cccc(C(=O)NC2=NCCS2)c1 58024363 HESMTLOQJRKTGN-UHFFFAOYSA-N 373.503 3.542 0 40 FHAB CCN(CC)C(=O)c1ccc(NC(=O)NCCOc2cccc(C)c2)cc1 58157552 BFWQIKBRFCFMGS-UHFFFAOYSA-N 369.465 3.678 0 40 FHAB CCn1ncc2c1NC(=O)C[C@@H]2c1cnc(-c2ccccc2OC)s1 65408477 LLFFHGJIYJRNCV-LBPRGKRZSA-N 354.435 3.509 0 40 FHAB O=C(NCCc1ccncc1)c1cc(-c2ccncc2)nc2ccccc12 79478284 TVBWJGDGJUETKL-UHFFFAOYSA-N 354.413 3.664 0 40 FHAB CN1CC[C@H](Sc2ncnc3scc(-c4ccc(F)cc4)c23)C1=O 83877487 YPMYGRRMXLXSKQ-ZDUSSCGKSA-N 359.451 3.820 0 40 FHAB Cc1nc(CNC(=O)c2ccccc2C(=O)c2ccccc2)c(C)s1 89196609 IXNSOYRCWMDXQV-UHFFFAOYSA-N 350.443 3.921 0 40 FHAB COc1cccc(S(=O)(=O)NCc2sc(-c3ccccc3)nc2C)c1 90592613 NEBAZAPDTLWLDS-UHFFFAOYSA-N 374.487 3.606 0 40 FHAB O=C(O)CCc1ccc(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)cc1 95425538 MVPFNSWFPRXJEO-UHFFFAOYSA-N 368.364 3.679 0 40 FHAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCN(Cc2ccccc2F)CC1 95939072 CRTWKAFNHGSBKN-INIZCTEOSA-N 365.452 3.696 0 40 FHAB O=C(NCc1cccc(Oc2ccccn2)c1)c1cc(-c2ccco2)n[nH]1 96382678 BKPLOQHYFBLZGG-UHFFFAOYSA-N 360.373 3.787 0 40 FHAB CCn1c(S)nc2cc(C(=O)N(C)[C@@H](C)c3ccccc3)ccc2c1=O 102179504 AJBAERHCMCNGKH-ZDUSSCGKSA-N 367.474 3.538 0 40 FHAB O=C(Nc1ccc(Oc2ccccc2)cc1)C(=O)[C@H]1C(=O)Nc2ccccc21 103445598 VEZOTHCGGRXUMK-IBGZPJMESA-N 372.380 3.722 0 40 FHAB CC(C)c1ccc(CCCNC(=O)c2cccc(NS(C)(=O)=O)c2)cc1 116828046 FDKGERVIRYTCHJ-UHFFFAOYSA-N 374.506 3.544 0 40 FHAB COc1cccc(O[C@@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)c1 216474840 ODFLWKVIHAKSGV-KRWDZBQOSA-N 371.477 3.999 0 40 FHAB CCc1ccccc1O[C@H](C)C(=O)N(C)Cc1nc(-c2ccccc2)no1 219296801 GASPRXYQQCEOEA-OAHLLOKOSA-N 365.433 3.725 0 40 FHAB COCCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222826075 VCIFLSGISOLFOL-MOPGFXCFSA-N 372.538 3.527 0 40 FHAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(C)=O 223045001 AZURCVYVXDRTIP-OAQYLSRUSA-N 352.478 3.563 0 40 FHAB COc1cc(C)c([C@H](C)NS(=O)(=O)c2c(C)noc2C)cc1C(C)C 223382573 KMTYLMZDBXDUBD-LBPRGKRZSA-N 366.483 3.771 0 40 FHAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1 223747257 GDISJFZYEDQYLE-ZWKOTPCHSA-N 350.447 3.595 0 40 FHAB S=C(NC[C@@H]1CCCO1)Nc1ccc(N2CCCc3ccccc32)nc1 223898905 ZITRBMWELCPCCX-KRWDZBQOSA-N 368.506 3.631 0 40 FHAB COc1ccc(CNC(=S)Nc2ccc(Oc3ccccc3)nn2)cc1 225187830 DQWKZTZXGICOSY-UHFFFAOYSA-N 366.446 3.764 0 40 FHAB O=S(=O)(NC[C@@H](O)c1csc2ccccc12)c1ccccc1Cl 225695736 CRDSKEXJGGQIHO-CQSZACIVSA-N 367.879 3.567 0 40 FHAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC(=O)O)cc1 225749024 WITAXTVRIWARDG-IBGZPJMESA-N 351.443 3.854 0 40 FHAB COc1cccc(-c2nnsc2C(=O)N[C@H](C)c2ccc(F)cc2)c1 225768407 YPFHDTNWPODXSH-LLVKDONJSA-N 357.410 3.844 0 40 FHAB CC[C@@H](C)Oc1ccc(NC(=O)C(C)(C)Br)cc1C(=O)OC 225786200 HHRRSVNESCXOIM-SNVBAGLBSA-N 372.259 3.763 0 40 FHAB Cc1ccccc1-c1noc(CNC(=S)Nc2c(F)cccc2F)n1 225828942 YEPXRRZTCHFPEA-UHFFFAOYSA-N 360.389 3.810 0 40 FHAB CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cn1 225873571 WRDQXMZXCBVTCR-UHFFFAOYSA-N 354.450 3.866 0 40 FHAB C[C@H]1CCCCN1CCS(=O)(=O)Oc1ccc(Cl)cc1Cl 255190603 YHHSKMXBWODITL-NSHDSACASA-N 352.283 3.576 0 40 FHAB CN(C)Cc1cccc(-c2cccnc2C(=O)NCc2ccc(F)cc2)c1 257223471 DXMVGGMGDLAOAR-UHFFFAOYSA-N 363.436 3.879 0 40 FHAB O=C(c1cnco1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257317083 VIILEYHHYJQABO-CQSZACIVSA-N 371.824 3.927 0 40 FHAB CC[C@H](C)Oc1cc(C(=O)N2CCC[C@@]3(C2)OCc2ccccc23)ccn1 330090089 PEWRHRJGRZRUMZ-AOMKIAJQSA-N 366.461 3.921 0 40 FHAB COc1cccc(-c2nnc(SC(=O)c3ccc(OC)cc3OC)o2)c1 408652782 IHTXGJKBTWXJPJ-UHFFFAOYSA-N 372.402 3.695 0 40 FHAB CC1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)CC1 408706942 FMNKQFJRDKQPDJ-AQFXKWCLSA-N 358.482 3.522 0 40 FHAB Cc1ccc2c(c1)NC(=O)N(Cc1cc(Cl)ccc1F)S2(=O)=O 1652142228 GRAHHPVBLFCNQX-UHFFFAOYSA-N 354.790 3.524 0 40 FHAB Cc1ccc(NC(=O)CSc2nc(C(=O)O)c3ccccc3n2)c(C)c1 624728 AZWKGJRACKRZNK-UHFFFAOYSA-N 367.430 3.676 0 40 FHAB COc1ccccc1NC(=S)N1CCN(c2cccc(C)c2C)CC1 1325670 AHRVABCWBXYVJE-UHFFFAOYSA-N 355.507 3.831 0 40 FHAB CCOC(=O)CSc1nnc(-c2cccnc2)n1-c1cccc(C)c1C 1328583 CNNKVBOGYHGEKT-UHFFFAOYSA-N 368.462 3.601 0 40 FHAB Cc1nn(C)c(C)c1C(=O)C(=O)N(Cc1ccccc1)[C@H]1CCCC1(C)C 79022508 MKXRPNXIHOBERX-SFHVURJKSA-N 367.493 3.827 0 40 FHAB COc1c(C)cnc(CSc2nc3cc(C4=NCCO4)ccc3[nH]2)c1C 4758923 VYPGKBPAXMMBIS-UHFFFAOYSA-N 368.462 3.652 0 40 FHAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C(C)C)cc3)ccc21 4884519 SCMFQMALDXOSCV-UHFFFAOYSA-N 372.490 3.910 0 40 FHAB O=C(NC(c1ccccc1)c1ccccc1)C1CCN(c2cnccn2)CC1 6767511 VKTIBLGTHHEKDU-UHFFFAOYSA-N 372.472 3.599 0 40 FHAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NC3CCCCC3)c2)c1 7230242 ITXSILFWQYJGPS-UHFFFAOYSA-N 372.490 3.858 0 40 FHAB COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(N)cc2)cc1 7468459 ODNZUKGTDAQXOL-UHFFFAOYSA-N 361.401 3.782 0 40 FHAB COc1ccc(-c2nc(CSc3nnc(N)s3)cs2)cc1OC 7534301 FJLIYDZWVTVAMJ-UHFFFAOYSA-N 366.493 3.553 0 40 FHAB COc1cc(CNn2c(C)n[nH]c2=S)ccc1OCc1cccc(C)c1 7601234 NSDJHYLOLKQEDO-UHFFFAOYSA-N 370.478 3.889 0 40 FHAB COc1ncccc1NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 47553998 VBJNAVXMMKXRLN-UHFFFAOYSA-N 353.426 3.792 0 40 FHAB COc1ccccc1[C@@H](CNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)N1CCCC1 105700084 YRFVYDVSOIHEBB-PNYFIKQUSA-N 356.510 3.775 0 40 FHAB CC(=O)c1cc2c(cc1NC(=O)CCCOc1ccc(F)cc1)OCO2 24866011 VFMVHKLFLJZZAE-UHFFFAOYSA-N 359.353 3.555 0 40 FHAB Nc1cc(N)nc(SCCOC(c2ccccc2)c2ccccc2)n1 24834572 IRBVPZIQAUYEED-UHFFFAOYSA-N 352.463 3.539 0 40 FHAB COc1cccc(-c2nc(-c3ccc(CNC(C)=O)o3)cs2)c1OC 25667109 RPUPYRNRBRQNJR-UHFFFAOYSA-N 358.419 3.723 0 40 FHAB COc1cc([C@@H](C)NC(=O)Nc2cccc(Cl)c2)ccc1OCCO 56343566 FVYNRXUTNYBXQW-GFCCVEGCSA-N 364.829 3.602 0 40 FHAB Cc1cc(C)c(OCC(=O)NCc2ccc(Cn3cccn3)cc2)c(C)c1 12625492 DSYVTDPKUWXRAA-UHFFFAOYSA-N 363.461 3.552 0 40 FHAB COc1cccc(-c2nc(CN(C)Cc3cc(C)on3)cs2)c1OC 48287200 LNCMHDLOPBSVMN-UHFFFAOYSA-N 359.451 3.756 0 40 FHAB COC(=O)c1cc(NC(=O)c2nc(-c3ccccc3)oc2C)ccc1F 27192327 VFPQZIUNSUKUSC-UHFFFAOYSA-N 354.337 3.828 0 40 FHAB O=S(=O)(N[C@H]1CCSc2c(F)cccc21)c1ccccc1Cl 12735194 GLOYDPJDNNWBIT-ZDUSSCGKSA-N 357.859 3.995 0 40 FHAB O=C1C[C@@H](C(=O)Nc2cccc(Br)c2)c2ccc(F)cc2N1 12754643 BYURNQASHNHPAV-CYBMUJFWSA-N 363.186 3.653 0 40 FHAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1F 103716210 ZDDCDGMRAPJPJQ-HNNXBMFYSA-N 370.424 3.913 0 40 FHAB O=C(c1ccc(Cn2cccn2)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 10261450 MUVGHKYTBMCDQU-HXUWFJFHSA-N 371.444 3.785 0 40 FHAB O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)c1cccnc1S 58213388 SZCNFVQONUBHNQ-UHFFFAOYSA-N 362.454 3.902 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 28192723 LTCTUPGEEAKQRS-NSHDSACASA-N 369.364 3.572 0 40 FHAB c1ccc(Cc2noc(CN3CCC[C@H](CN4CCCCCC4)C3)n2)cc1 84541524 SORIIDNEVXWSKS-HXUWFJFHSA-N 368.525 3.748 0 40 FHAB COc1ccc2c(CCNC(=O)/C=C/c3ccccc3OC)c[nH]c2c1 2133420 BCAJELCYYOMSAH-JXMROGBWSA-N 350.418 3.557 0 40 FHAB biogenic COc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 27662157 DRAJCGNKIAXGLC-SFHVURJKSA-N 358.869 3.916 0 40 FHAB CCCC[C@@H](NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)c1ccccc1 2308053 XZVICJWMODTLOV-DNVCBOLYSA-N 364.445 3.719 0 40 FHAB COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc(N)nn32)cc1 2376724 RQUYZNNFYKVHEZ-HOTGVXAUSA-N 355.829 3.669 0 40 FHAB Cc1ccc(NCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c(Cl)c1 11154141 NASLGXJYOATRCY-CYBMUJFWSA-N 357.841 3.824 0 40 FHAB COc1ccc([C@@H]2C[C@H](c3ccccc3Cl)n3nc(N)nc3N2)cc1 2409193 AUSQOHWKPBLYFN-JKSUJKDBSA-N 355.829 3.669 0 40 FHAB Cn1ncc2c(SCc3ncc(-c4ccc(Cl)cc4)o3)ncnc21 11683601 NFIKHXDVDFXJJV-UHFFFAOYSA-N 357.826 3.964 0 40 FHAB O=C(Nc1ccccc1N1CCOCC1)C1(c2ccccc2)CCCC1 2512677 PUXJGVRGTMOHIS-UHFFFAOYSA-N 350.462 3.974 0 40 FHAB C[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)NCc1ccco1 8940948 NBXRPDOLIPKWDJ-JTQLQIEISA-N 362.842 3.515 0 40 FHAB CCCc1nnc(NC(=O)c2cnn(-c3cccc(C)c3)c2CC)s1 12980381 SYQSHPHFTVCSIU-UHFFFAOYSA-N 355.467 3.799 0 40 FHAB CC[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)NCc1ccccc1 12975707 HYYZIXHESJDJHK-INIZCTEOSA-N 356.495 3.678 0 40 FHAB COc1ccc(CNC(=O)COc2ccc(C(C)(C)C)cc2)cc1OC 3601585 UHPURUJYIDTPOG-UHFFFAOYSA-N 357.450 3.697 0 40 FHAB C[C@H]1c2ccsc2CCN1C(=O)[C@@H](C)NC(=O)OCc1ccccc1 13008775 LTWUPPOYWDVCFO-KGLIPLIRSA-N 358.463 3.509 0 40 FHAB CC[C@@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1cccc(OC)c1 3895983 TVHHQFZTTUWSAZ-DXCLHELWSA-N 360.498 3.991 0 40 FHAB COc1ccc(-c2nc(-c3cc4cc(C)ccc4[nH]c3=O)no2)cc1OC 9192121 ZVGPHYKDSMAXPZ-UHFFFAOYSA-N 363.373 3.571 0 40 FHAB Nc1cc(Cl)ccc1C(=O)OCC(=O)Nc1ccc2ccccc2c1 6060143 BAJFFFLUAALWIL-UHFFFAOYSA-N 354.793 3.871 0 40 FHAB COc1ccc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 6152170 ZXLUYOGLNUDXFY-UHFFFAOYSA-N 354.450 3.751 0 40 FHAB COc1ccc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1Cl 5191940 PFLWQLWCNYVDSM-UHFFFAOYSA-N 371.824 3.547 0 40 FHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(Br)cc1 6335631 ZYPVKPJVSFEPAY-HNNXBMFYSA-N 363.255 3.609 0 40 FHAB CC(C)C(=O)Nc1c(-c2ccc3c(c2)OCO3)c(=O)c2ccccc2n1C 5324039 OHBHIQRAHJTSJU-UHFFFAOYSA-N 364.401 3.529 0 40 FHAB CCc1sc(C(=O)O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1C 5364249 CUTKOSZRTVTXMX-LBPRGKRZSA-N 374.462 3.761 0 40 FHAB O=C(COc1ccc(F)cc1)Nc1nnc(/C=C/c2ccccc2)s1 4695036 TUSJBSJCTJHZTF-IZZDOVSWSA-N 355.394 3.865 0 40 FHAB CSc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)cc1 5614396 LUTRVQGGDWHXAZ-QGZVFWFLSA-N 369.515 3.840 0 40 FHAB Cc1ccc2c(Cn3cnc4c(oc5ccccc54)c3=O)cc(=O)oc2c1 5797411 QQFULOYYOXZTNP-UHFFFAOYSA-N 358.353 3.606 0 40 FHAB CCc1cc(=O)[nH]c(-c2ccc(N[C@H](C)Cc3ccccc3F)nc2)n1 68669762 BTOVZBPTAHSSPV-CYBMUJFWSA-N 352.413 3.577 0 40 FHAB C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)N1CCCCCC1 8177124 UPHKNDBCBWCXKH-GFCCVEGCSA-N 366.512 3.626 0 40 FHAB COC(=O)c1ccc(NC(=O)c2cc3cc(OC)ccc3nc2C)cc1 27401320 DMSKPGGSHQJDGR-UHFFFAOYSA-N 350.374 3.591 0 40 FHAB COC(=O)c1cc(I)c(-c2ccccc2)cc1OC 39951665 NJZWVDWIXAVIDY-UHFFFAOYSA-N 368.170 3.753 0 40 FHAB O=C(CSc1nc(O)c(-c2ccccc2)c(=O)[nH]1)c1ccc(Cl)cc1 9667805 XECBSBVQHSTAER-UHFFFAOYSA-N 372.833 3.771 0 40 FHAB Cc1nc2ccc(NC(=O)C(=O)N3CCC[C@@H]3c3cccc(F)c3)cc2o1 84290292 CFANLYHWQIDGIE-QGZVFWFLSA-N 367.380 3.578 0 40 FHAB O=C(N[C@H]1CCCc2ccccc21)c1ccn(COc2ccc(F)cc2)n1 27972443 KOHBSOLQIXGYOR-IBGZPJMESA-N 365.408 3.866 0 40 FHAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OC 408813060 CZYPSPBVBWGSCD-XFFZJAGNSA-N 372.240 3.523 0 40 FHAB O=C(Nc1ccccc1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 823219 BPOGSEXGRHCSLV-UHFFFAOYSA-N 352.415 3.740 0 40 FHAB biogenic O=C(NCCCc1ccc(F)cc1)C1CCN(Cc2ccccc2F)CC1 39773338 DMVZDKAVRNTAQZ-UHFFFAOYSA-N 372.459 3.926 0 40 FHAB CC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 408707355 JICGYEVCPJQKTG-FHERZECASA-N 360.473 3.900 0 40 FHAB CN(C)Cc1ccccc1CNC(=O)Cc1csc(-c2ccsc2)n1 39984334 OAIYHHBQEBCLJO-UHFFFAOYSA-N 371.531 3.792 0 40 FHAB CC(C)(C)c1ccc(OC[C@H](O)CNC2CCN(C3CCCC3)CC2)cc1 566113120 VOCVTIYVSSCNHT-OAQYLSRUSA-N 374.569 3.720 0 40 FHAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1nc(-c2ccc(C)cc2)no1 219598711 UYXLKPDIFQTPMV-SFHVURJKSA-N 365.433 3.827 0 40 FHAB Cc1ccc(-c2nc3ccccc3s2)cc1N1C[C@H](C(=O)O)CC1=O 45886778 DJYBDIOYCWLIJV-CYBMUJFWSA-N 352.415 3.709 0 40 FHAB COc1ccc([C@@H](C)NC(=S)Nc2cccc(N3CCCC3=O)c2)cc1 225466671 IISFUISCLJYACU-CQSZACIVSA-N 369.490 3.870 0 40 FHAB CCc1nc(N)sc1-c1nc(-c2ccccc2Br)no1 89263139 YKOZDABDRMHVNB-UHFFFAOYSA-N 351.229 3.767 0 40 FHAB Cc1cccc(CSCCNC(=O)CCc2ccc3c(c2)OCCO3)c1 222638778 HSYRDTNDJOAXKC-UHFFFAOYSA-N 371.502 3.748 0 40 FHAB CCCSc1nnc(NC(=O)[C@H](CC)Oc2ccc(OC)cc2)s1 225352750 LBJDGNBFZFWPBB-ZDUSSCGKSA-N 367.496 3.845 0 40 FHAB Cc1ccc(-c2nnc(NS(=O)(=O)Cc3cccc(C)c3)s2)cc1 223883015 DEEYIZWOKVRQBT-UHFFFAOYSA-N 359.476 3.764 0 40 FHAB COC(=O)c1cc(NC(=O)C(Cl)(Cl)Cl)ccc1OC(C)C 225783362 JUBUHYGQZAKLKO-UHFFFAOYSA-N 354.617 3.569 0 40 FHAB C[C@@H](NCc1ccc(CN2CCCC2=O)cc1)c1nc2ccccc2n1C 91303801 XDFZNFNECQPUGV-MRXNPFEDSA-N 362.477 3.547 0 40 FHAB F[C@@H]1CN(Cc2c[nH]c3ccccc23)C[C@@H]1OCc1nc2ccccc2[nH]1 96112177 CLLYXYTWQJMFSF-UZLBHIALSA-N 364.424 3.783 0 40 FHAB biogenic,in-vitro COCCn1c(C(=O)Nc2ccc(C)nc2)cc2c1c1ccccc1n2C 96037228 UNYQLPIUGJTGRW-UHFFFAOYSA-N 362.433 3.735 0 40 FHAB CC(=O)Nc1cc(NCC(=O)N2c3ccccc3CC[C@@H]2C)ccc1F 24368219 UYZRSSGTIJLHGL-ZDUSSCGKSA-N 355.413 3.564 0 40 FHAB CC(C)(c1ccccc1)c1n[nH]c(=NC(=O)N2CCC[C@H]2C2CC2)s1 592931424 NDUPDOAJTISFTG-HNNXBMFYSA-N 356.495 3.692 0 40 FHAB Brc1ccccc1CN1CCC(COc2ncccn2)CC1 1775995765 HZBPHWGLARCGQG-UHFFFAOYSA-N 362.271 3.530 0 40 FHAB C[C@@H](Sc1nc(-c2ccc([C@@H](C)O)cc2)n[nH]1)C(=O)c1ccccc1 1776005403 BHSDYDVRCGISPJ-CHWSQXEVSA-N 353.447 3.889 0 40 FHAB C[C@@H](OC1CCCC1)C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 70860221 INWNPSYEVACLQZ-CQSZACIVSA-N 354.454 3.568 0 40 FHAB CC1(C)Oc2ccc(NC(=O)COCc3nc4ccccc4s3)cc2O1 47285587 CFNRBGICHDFVRY-UHFFFAOYSA-N 370.430 3.959 0 40 FHAB O=S(=O)(Nc1cccc(OCc2ccccn2)c1)c1cccc(F)c1 36760517 FRBKATRDJVTFHF-UHFFFAOYSA-N 358.394 3.601 0 40 FHAB Cc1nc2ccccc2n1CCNC(=O)N1CCC[C@H]1c1cccs1 53987895 YFCCQEXEPXQLRS-KRWDZBQOSA-N 354.479 3.953 0 40 FHAB C[C@@H]1Cc2ccc(Br)cc2[C@@H]1NCCCOC[C@H]1CCOC1 108149059 INOYTRZJPUSKDE-HBUWYVDXSA-N 368.315 3.715 0 40 FHAB Cc1nc(C)c(C(=O)N2CCC(c3ccc4cccnc4n3)CC2)s1 655265588 BPOAQGZZRQLZHR-UHFFFAOYSA-N 352.463 3.723 0 40 FHAB Cc1ccccc1CN1CCC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615152513 BQUJFOYSUQRNLN-JOCHJYFZSA-N 368.452 3.532 0 40 FHAB CSc1ccccc1NC(=O)COC(=O)c1ccc(OC(F)F)cc1 5228823 UWXFSLPGPUBSHV-UHFFFAOYSA-N 367.373 3.805 0 40 FHAB CC(C)C[C@H](NC(=O)COc1c(Cl)cc(Cl)cc1Cl)C(=O)O 5716275 NZNMMBDYSLJQOG-NSHDSACASA-N 368.644 3.641 0 40 FHAB Cc1ccc(C)c(O[C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 13710486 QPRNXAKMQMMCFV-KRWDZBQOSA-N 356.441 3.559 0 40 FHAB O=C(CCNC(=O)c1cccs1)Nc1nc2ccc(Cl)cc2s1 19165224 IOMGPCIOBLRLTG-UHFFFAOYSA-N 365.867 3.770 0 40 FHAB Cc1ccn2cc(C(=O)N3CCC[C@@H](COc4ccccc4F)C3)nc2c1 19238165 MTBVFWSLSDKJIC-MRXNPFEDSA-N 367.424 3.713 0 40 FHAB CC(C)c1cc(C(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)[nH]n1 19451793 MCJIFFRULOIOIR-HNNXBMFYSA-N 363.465 3.683 0 40 FHAB Cc1nonc1COc1ccc(C(=O)Nc2nc(C(C)C)cs2)cc1 19714318 VMEXKTIDTYJSMM-UHFFFAOYSA-N 358.423 3.789 0 40 FHAB COc1cccc(Cn2cc(NC(=O)C(C)(C)c3cccc(F)c3)cn2)c1 19718511 APBPSWBTCJWMNH-UHFFFAOYSA-N 367.424 3.995 0 40 FHAB CCCC(=O)Nc1nc(-c2ccc3c(c2)N(CC)C(=O)CO3)c(C)s1 19796505 ICFKUPLKYMQXLI-UHFFFAOYSA-N 359.451 3.602 0 40 FHAB COc1cc([C@@H](C)NC(=O)c2ccn(-c3ccccc3F)n2)ccc1F 157054144 PIDVZGNEVKTVEK-GFCCVEGCSA-N 357.360 3.650 0 40 FHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1ccc(Cl)cc1 9752236 RKOQQABDHLFWOR-UHFFFAOYSA-N 369.852 3.558 0 40 FHAB Fc1ccc(CN2CC[C@@H](Oc3ccncc3Br)C2)cc1F 1888864438 QHOOJBBWACZBTG-GFCCVEGCSA-N 369.209 3.776 0 40 FHAB CCc1ccccc1N(C(=O)c1ccc(C)c(C)c1)[C@H]1C=CS(=O)(=O)C1 4165561 VKOCSQAJUPGYJS-IBGZPJMESA-N 369.486 3.823 0 40 FHAB O=C(NCc1cccnc1)c1csc2nc(-c3ccc(F)cc3)cn12 11902157 AHCTYEZZVGOBHD-UHFFFAOYSA-N 352.394 3.527 0 40 FHAB COc1ccc([C@@H]2CC(=O)Nc3[nH]ncc32)cc1OCc1ccc(F)cc1 15083301 ZLTQCMUFEHYOLW-HNNXBMFYSA-N 367.380 3.611 0 40 FHAB O=C(COc1ccc2ccccc2c1)NCC1CCN(C2CCCC2)CC1 23014406 AGKGTADWJHQWLI-UHFFFAOYSA-N 366.505 3.989 0 40 FHAB O=C(NCc1ccc(Cl)cc1)NCc1nccnc1-c1ccsc1 575618045 DGUUGMOXYJGQJQ-UHFFFAOYSA-N 358.854 3.858 0 40 FHAB O=C1CCCN1c1cc(C(=O)N2CCC[C@H]2c2ccncc2)ccc1Cl 40051035 YYVFWQUEJXVOPO-KRWDZBQOSA-N 369.852 3.839 0 40 FHAB CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCCc3ccccc32)c1 40133987 GYXKSFUZBRPZHQ-UHFFFAOYSA-N 363.866 3.727 0 40 FHAB O=Cc1ccccc1OCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 31675164 NJNOCFSVMTWHLR-UHFFFAOYSA-N 361.401 3.580 0 40 FHAB CCc1ccc(C(=O)CSc2nc(C(=O)O)c3ccccc3n2)cc1 624724 UVNPXEHPVMOQER-UHFFFAOYSA-N 352.415 3.865 0 40 FHAB O=C(Nc1cccnc1)c1ccc(Br)cc1Br 642757 OACQQIOQYCSCLY-UHFFFAOYSA-N 356.017 3.859 0 40 FHAB O=C(Nc1cc(Br)ccc1O)c1noc2c1CCCCC2 2465828 YLHLQVCLQRUSLV-UHFFFAOYSA-N 351.200 3.664 0 40 FHAB C[C@@H]1CN(C(=O)Nc2ccccc2F)CCN1C(=O)Nc1ccccc1F 2652815 ZPVHIGODLIQNLC-CYBMUJFWSA-N 374.391 3.735 0 40 FHAB C[C@]1(c2ccccc2)NC(=O)N(Cc2csc(-c3ccccc3)n2)C1=O 3300386 UZDXFYYLRKMDIZ-HXUWFJFHSA-N 363.442 3.777 0 40 FHAB Cc1cc(Br)ccc1NC(=O)COC(=O)c1ccc(F)cc1 3510791 HJUYXGROAGEAON-UHFFFAOYSA-N 366.186 3.692 0 40 FHAB Cc1cn2c(=O)c(C(=O)Nc3cc(Cl)ccc3Cl)cnc2s1 4517290 CKWXSXGVGONDRX-UHFFFAOYSA-N 354.218 3.624 0 40 FHAB Cc1ccc(C)c2sc(NC(=O)c3cccc(S(C)(=O)=O)c3)nc12 4517965 HBLMCVQJVKMEKK-UHFFFAOYSA-N 360.460 3.569 0 40 FHAB Cc1ccc(OCc2nn(CC(=O)c3ccccc3)c(=N)s2)cc1C 4672838 JPINWYYEDRUCEB-UHFFFAOYSA-N 353.447 3.503 0 40 FHAB Cc1ccc(NC(=O)COCC(=O)Nc2cccc(Cl)c2Cl)cc1 4698982 SSFUUUSYPKYDSS-UHFFFAOYSA-N 367.232 3.896 0 40 FHAB C[C@@H]1C[C@H](c2ccccc2)n2ncnc2N1C(=O)c1ccc(Cl)cc1 4732635 QBXNJYRBMRKTSH-CXAGYDPISA-N 352.825 3.960 0 40 FHAB C[C@H](Sc1nncn1-c1ccccc1F)C(=O)N(C)c1ccccc1 4890735 MWZNXAYHQJZXDJ-ZDUSSCGKSA-N 356.426 3.550 0 40 FHAB COc1ccc(/C=C/c2nn3c(COc4ccccc4)nnc3s2)cc1 5054999 HTDKEPHFXPNRSN-FMIVXFBMSA-N 364.430 3.944 0 40 FHAB COc1ccccc1N1CCN(C(=O)[C@H](C)Sc2ccccc2)CC1 5423261 RVLFVDOGJHKRJA-INIZCTEOSA-N 356.491 3.525 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)[C@@H](O)c2ccccc2-3)cc1 5497445 CUWDBBXQCLABDP-FQEVSTJZSA-N 351.427 3.858 0 40 FHAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccccc1OC(F)F 6276300 OISPANXLEVDRJM-UHFFFAOYSA-N 366.389 3.732 0 40 FHAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N1CCCCC1 6549652 SJMWLTKIBAFZQB-AWEZNQCLSA-N 356.495 3.638 0 40 FHAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)OCCCO3)c1C 6623210 RNJBHWFWIPNGNC-UHFFFAOYSA-N 361.463 3.882 0 40 FHAB CN(CCN(C)C(=O)Nc1ccccc1F)C(=O)Nc1ccccc1F 6638033 REJIOFCNNYBDIY-UHFFFAOYSA-N 362.380 3.592 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)c1 6811327 LJDGPKRVMBCPIR-UHFFFAOYSA-N 353.374 3.679 0 40 FHAB CCOC(C(=O)Nc1ccc(C(N)=O)cc1)(c1ccccc1)c1ccccc1 6852219 QQTQOOAIVZBEHV-UHFFFAOYSA-N 374.440 3.704 0 40 FHAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(Br)c1 6879547 CSKWNMWHBFLVET-NSHDSACASA-N 352.253 3.589 0 40 FHAB COc1ccc([C@@H](CNc2ncnc3sccc23)N2CCCC2)cc1 6941137 GHBHUIZSQJQIRS-QGZVFWFLSA-N 354.479 3.949 0 40 FHAB CCn1c(SCC(=O)Nc2cccnc2)nnc1-c1cccc(Cl)c1 6947528 AFLHCSUJKFJSEV-UHFFFAOYSA-N 373.869 3.744 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC2 7054180 SGVRMAZTBOIFSS-CQSZACIVSA-N 372.490 3.504 0 40 FHAB O=S(=O)(NCCc1ccccc1)c1ccc(Br)cc1Cl 7308341 XDWCSKMAEADPQQ-UHFFFAOYSA-N 374.687 3.624 0 40 FHAB O=C(COc1ccc(Cl)cc1)NCc1ccccc1CN1CCCC1 8011701 SHMPLZLQVHEWKZ-UHFFFAOYSA-N 358.869 3.631 0 40 FHAB CN(c1ccc(-c2csc(Nc3ccccc3)n2)cc1)S(C)(=O)=O 8208259 FZUPFMSJSYLQFV-UHFFFAOYSA-N 359.476 3.950 0 40 FHAB Cc1cc(Br)ccc1NC(=O)C[C@H](C(=O)O)c1ccccc1 8746170 DTARPVZYQBLZGF-AWEZNQCLSA-N 362.223 3.955 0 40 FHAB CC(C)[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1cccs1 8919011 PAUWAEVRBBBWLN-FQEVSTJZSA-N 356.491 3.931 0 40 FHAB C[C@H](C(=O)Nc1c(F)cccc1F)N(C)Cc1cnn(-c2ccccc2)c1 9114564 URIBBAPDZDXSFF-CQSZACIVSA-N 370.403 3.610 0 40 FHAB Cc1ccc2cc3c(NC(=O)[C@H]4CCCO4)nn(CC(C)C)c3nc2c1 9242540 AHTCKTSEEJTFQI-QGZVFWFLSA-N 352.438 3.666 0 40 FHAB CCOC(=O)c1oc2ccccc2c1NC(=O)Cc1ccc2c(c1)OCO2 9521464 LFXOIRLPPVQJGX-UHFFFAOYSA-N 367.357 3.519 0 40 FHAB O=C(NCc1ccc(Cn2cccn2)cc1)Nc1nc2ccccc2s1 10207476 HMKQKUCYUGZUJM-UHFFFAOYSA-N 363.446 3.863 0 40 FHAB COc1ccc(C(=O)N(C(=O)N2CCCCC2)c2ccccc2)c(OC)c1 10254445 DXLSSXAMWWWDHJ-UHFFFAOYSA-N 368.433 3.957 0 40 FHAB Cc1ccc(CNc2nccn(-c3ccc(Br)cc3)c2=O)cc1 10273192 PWGMBIGJHHGOLS-UHFFFAOYSA-N 370.250 3.916 0 40 FHAB CCc1ccccc1NC(=O)CNC(=O)c1ccc(SC(F)F)cc1 10997452 PJLODUWZBOMNHT-UHFFFAOYSA-N 364.417 3.932 0 40 FHAB CC(C)c1nccn1CC(=O)N[C@@H](Cc1ccsc1)c1nccs1 12087886 RNVHAWOBEZLBNB-AWEZNQCLSA-N 360.508 3.625 0 40 FHAB Cc1cc(-c2cnc(NCCCn3ccnc3)nc2-c2ccoc2C)on1 12088362 BYLAMZIKYPOQKS-UHFFFAOYSA-N 364.409 3.707 0 40 FHAB CN(C)[C@@H](CNC(=O)c1cc(-c2cccs2)no1)c1ccc(F)cc1 12198418 YJUBIOYIVGXTOR-HNNXBMFYSA-N 359.426 3.575 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)c1nc(-c2ccc3cc[nH]c3c2)no1 12389349 LDJYDTRYBYFDSY-CQSZACIVSA-N 360.417 3.969 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccccc1F 12507699 FSMIQXJIOVOOCD-INIZCTEOSA-N 361.779 3.871 0 40 FHAB O=C(CNc1ccccc1N1CCCC1=O)Nc1ccc(Cl)cc1F 12514248 ROIUCIICMPVVTF-UHFFFAOYSA-N 361.804 3.657 0 40 FHAB Cc1ccccc1OCC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 12529968 CNUVLGYVZDATIV-LJQANCHMSA-N 369.852 3.667 0 40 FHAB O=C(c1csc(-c2ccccc2)n1)N1CCN(c2ccccc2F)CC1 12563346 TYTMSCBIVPYFJI-UHFFFAOYSA-N 367.449 3.912 0 40 FHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1c1ccccc1 12819652 RZZPQDKAXZLQIV-LPHOPBHVSA-N 352.434 3.665 0 40 FHAB C[C@@]1(c2ccccc2)NC(=O)N(Cc2ccc(OC(F)(F)F)cc2)C1=O 13002083 DMCJHADEKMKFLN-KRWDZBQOSA-N 364.323 3.552 0 40 FHAB Nc1cccc(S[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)c1 13576399 QNBDNCCTKXJALC-AWEZNQCLSA-N 367.257 4.000 0 40 FHAB CCn1cc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)cn1 13960939 AYPFUGFBJBJXKJ-UHFFFAOYSA-N 360.421 3.506 0 40 FHAB Cc1nc2cc(NC(=O)CCc3nc(-c4ccc(F)cc4)no3)ccc2o1 14134698 SOUGTLGIXDIEKD-UHFFFAOYSA-N 366.352 3.897 0 40 FHAB CCOC(=O)c1sc2nc(C)nc(NC3CCN(C4CC4)CC3)c2c1C 14141584 XFJLVCXAKNFORL-UHFFFAOYSA-N 374.510 3.524 0 40 FHAB CC(=O)Nc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1 14200977 ZFXPMEVKWHBZAR-UHFFFAOYSA-N 350.418 3.735 0 40 FHAB CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C(C)C)cc1 15363650 HUPHWDNPTIKROV-GOSISDBHSA-N 361.463 3.539 0 40 FHAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1CC=CCC1 16013185 OCLDVWGVIWDCRE-CYBMUJFWSA-N 365.271 3.511 0 40 FHAB CCc1nc2sc([C@@H](c3ccccc3)N3CCC[C@@H](C)C3)c(O)n2n1 16690025 HFWVDKOSMJAKCC-CZUORRHYSA-N 356.495 3.880 0 40 FHAB Cc1cc(C(=O)O[C@@H](C)C(=O)NC2CCCC2)c(C)n1Cc1ccccc1 16695192 ABOKGYMTHSFRKK-KRWDZBQOSA-N 368.477 3.757 0 40 FHAB COc1cc(NC(=O)COc2ccc(C)c(C)c2)ccc1NC(=O)C(C)C 17075889 RVSJRQMXUKMRBZ-UHFFFAOYSA-N 370.449 3.924 0 40 FHAB COCCNc1nc(Nc2cccc(C)c2)c2cnn(-c3ccccc3)c2n1 17135442 UDYLQWZXQSHCKM-UHFFFAOYSA-N 374.448 3.926 0 40 FHAB Cc1ccc(NC(=O)Cn2cc(-c3ccc(F)cc3)[n+]3c2CCC3)c(C)c1 17249547 WXBNMUGJMUHPAP-UHFFFAOYSA-O 364.444 3.783 0 40 FHAB C[C@@H](Cn1cc(Cl)cn1)C(=O)NCCc1nc(-c2ccccc2)cs1 19457387 RPKIOSNHPYXDDM-ZDUSSCGKSA-N 374.897 3.655 0 40 FHAB COC(=O)c1cc2cc(NC(=O)c3ccc4c(c3)OCCO4)ccc2s1 20025649 LYIRJYGBJTZODD-UHFFFAOYSA-N 369.398 3.711 0 40 FHAB Cc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl 20061339 JWFNWPDYUDOURH-UHFFFAOYSA-N 374.245 3.582 0 40 FHAB Cc1n[nH]c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C1=C(COC1=O)N2 20086392 JSHLRVYEQQXUMN-LJQANCHMSA-N 373.412 3.665 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3ccc(NC(C)=O)cc3)no2)cc1 20896712 ZEDCTRZUSXDLBE-UHFFFAOYSA-N 351.362 3.561 0 40 FHAB O=C(NCc1ccc(CN2CCCC2)cc1)[C@H]1Cc2ccccc2S1 21407811 MDZBJVFXIGDZDB-HXUWFJFHSA-N 352.503 3.616 0 40 FHAB C[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1cccc2ccccc12 21905604 QDFTXHBEPQIJOS-CQSZACIVSA-N 368.458 3.702 0 40 FHAB C[C@H](NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(F)cc1 22540790 HEXZHMDVKYBOJB-VIFPVBQESA-N 355.196 3.948 0 40 FHAB Cc1oc(-c2cccs2)nc1CN(C)Cc1nc2ccccc2c(=O)[nH]1 22910646 MHOLCGTWRVVUSV-UHFFFAOYSA-N 366.446 3.580 0 40 FHAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1cncc(Br)c1 23175144 XERWWKYHWRDSEV-MRXNPFEDSA-N 362.271 3.940 0 40 FHAB CCCOc1c(Cl)cc(C(=O)NCc2ccc(C)n2C)cc1OC 23574106 KGTRWLKACPVHJY-UHFFFAOYSA-N 350.846 3.714 0 40 FHAB CN(CC(=O)NCCc1ccc(F)cc1)CC12CC3CC(CC(C3)C1)C2 27782504 AIGLTTJBWJPZHN-UHFFFAOYSA-N 358.501 3.633 0 40 FHAB Fc1ccc(N2CCN(c3cc(-c4ccccc4F)ncn3)CC2)cc1 27913606 WCNSBVHWCQOIBK-UHFFFAOYSA-N 352.388 3.748 0 40 FHAB CCN(CC)Cc1cccc(NC(=O)c2ccc(OC)c(OC)c2OC)c1 31538546 YQTXALVHJAMEPF-UHFFFAOYSA-N 372.465 3.807 0 40 FHAB C(/C=C\N1CCN(c2ccccc2)CC1)=C/N1CCN(c2ccccc2)CC1 31667145 MHXRSOOLNSFARD-PVRNWPCDSA-N 374.532 3.658 0 40 FHAB CC[C@@H](C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)c1ccccc1 32809084 HEYNFAFMLCQCSU-LJQANCHMSA-N 368.452 3.871 0 40 FHAB COCCn1c(SCC(=O)Nc2ccccc2Cl)nc(C)c1C 32893870 XOLOTYLTCKOKPB-UHFFFAOYSA-N 353.875 3.531 0 40 FHAB Cc1cc(C)c2sc(N3CCN(C(=O)NC4CCCC4)CC3)nc2c1 38550921 NWGXOMJYBPWZPF-UHFFFAOYSA-N 358.511 3.687 0 40 FHAB O=C(Nc1cccnc1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 40073980 MSHHOMHDRFECPU-HNNXBMFYSA-N 364.232 3.632 0 40 FHAB COC(=O)C[C@@H](NC(=O)c1csc(-c2ccc(C)o2)n1)c1ccccc1 40090264 JIKZFVZBYMSRSM-CQSZACIVSA-N 370.430 3.746 0 40 FHAB C[C@H](CNC(=O)Nc1ccccc1Cn1cccn1)N(C)c1ccccc1 40105562 TWMSAVIEJSSKRI-QGZVFWFLSA-N 363.465 3.578 0 40 FHAB Cc1cnc(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)cn1 40110736 XUTFQHRCDZXRNC-UHFFFAOYSA-N 356.401 3.695 0 40 FHAB CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cnc(N2CCCC2)nc1 40156431 XEWMYASKKMXRJO-KRWDZBQOSA-N 371.872 3.707 0 40 FHAB O=C([C@H](Sc1nccc(C(F)(F)F)n1)c1ccccc1)N1CCCC1 41896878 YZVZNXCWUZOZSM-CQSZACIVSA-N 367.396 3.951 0 40 FHAB CC(=O)OCc1c(OC(C)=O)ccc2c(C)c(-c3ccccc3)c(=O)oc12 45919435 SGXFEUTURWNWSB-UHFFFAOYSA-N 366.369 3.757 0 40 FHAB Clc1cc(Cl)c(Br)c(-c2nn3cnnc3s2)c1 45920160 HDHCWHRYDWUIAO-UHFFFAOYSA-N 350.028 3.922 0 40 FHAB Cc1cc(C(=O)N(C2CC2)[C@@H](C)C2CC2)c2nc3n(c2n1)CCCCC3 47449245 LMWWTQHXVLLJBO-AWEZNQCLSA-N 352.482 3.869 0 40 FHAB O=C1COc2cc(NC(=O)N3CC[C@H]3c3ccccc3)c(Cl)cc2N1 47851812 QBIBYKVXCJFIAO-HNNXBMFYSA-N 357.797 3.650 0 40 FHAB Cc1nc(COc2ccc(C(=O)Nc3ccc4ccccc4n3)cc2)no1 48248199 DBPAVCUVAYDQNZ-UHFFFAOYSA-N 360.373 3.758 0 40 FHAB Cc1c(C(=O)NCc2cc(-c3ccccc3)no2)oc2c1C(=O)CCC2 48252959 WZSONHQTKMTVCO-UHFFFAOYSA-N 350.374 3.692 0 40 FHAB Cc1ccc(-c2noc([C@H](C)OC(=O)c3cccc(C)c3N)n2)cc1F 48375478 YDGFEUGWGPMMKJ-LBPRGKRZSA-N 355.369 3.993 0 40 FHAB CC(C)c1ccc(CN(C(=O)c2ccnc(-n3cncn3)c2)C2CC2)cc1 54673407 XAZJPMYWRSMZBK-UHFFFAOYSA-N 361.449 3.591 0 40 FHAB CC(=O)Nc1ccc(F)c(NC(=O)C2(c3cccc(F)c3)CCOCC2)c1 57201891 AGLMPVMWYVUQMZ-UHFFFAOYSA-N 374.387 3.610 0 40 FHAB COC(=O)c1cc(C)ccc1NS(=O)(=O)C1=Cc2ccccc2CC1 58141705 ZJXJZALVTGKNKW-UHFFFAOYSA-N 357.431 3.511 0 40 FHAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3nncs3)c12 58173586 NCTCAGIUDGGFEH-UHFFFAOYSA-N 358.471 3.722 0 40 FHAB CCOC1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 58181176 NRZHETVNSJVVAM-CVEARBPZSA-N 352.272 3.580 0 40 FHAB O=C(Cc1csc(-c2ccco2)n1)Nc1ccccc1N1CCOC1=O 65490795 CYSKQXYBKJJUOF-UHFFFAOYSA-N 369.402 3.541 0 40 FHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@H]2c1c(F)cccc1Cl 71279475 XQQYQKXWSHNUDY-SNVBAGLBSA-N 365.792 3.671 0 40 FHAB CC(C)Cc1nnc2n1CCN(C(=O)c1ccccc1-c1ccccc1)C2 72305531 GXBKSNYRHDOQCH-UHFFFAOYSA-N 360.461 3.800 0 40 FHAB C[C@H]1[C@@H](N2CCCC2)Oc2cc3c(cc2[C@H]1c1ccccc1O)OCO3 73274840 JKQJZONEAFJYTO-PZVFOTJXSA-N 353.418 3.703 0 40 FHAB O=C(NC1(c2ccc3c(c2)OCCO3)CCCC1)c1cc(C2CC2)on1 73544359 DALKRNUNNIUNIP-UHFFFAOYSA-N 354.406 3.523 0 40 FHAB O=C(NCCn1ccc2ccccc21)c1ccc(Nc2ncccn2)cc1 79493035 LTDQOBRLIUDSLC-UHFFFAOYSA-N 357.417 3.605 0 40 FHAB O=C(NCCc1cn2ccccc2n1)C1(c2ccc(F)cc2)CCCC1 84606724 NHRGDWFTSAERPP-UHFFFAOYSA-N 351.425 3.644 0 40 FHAB CC(C)N1CCN(C(=O)c2csc(-c3cc4ccccc4o3)n2)CC1 95957326 PTBWXHTYWYNNSP-UHFFFAOYSA-N 355.463 3.723 0 40 FHAB CN1CCCC12CCN(C(=O)c1ccccc1C(=O)c1ccccc1)CC2 95993430 DFYKGCDQEIQNAF-UHFFFAOYSA-N 362.473 3.618 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)NCc1cccc(Oc2ccccn2)c1 96382753 HNLYFRJVUKKBSE-UHFFFAOYSA-N 372.421 3.800 0 40 FHAB OCCCc1nc2n(n1)[C@H](c1cccc(Cl)c1)C=C(c1ccccc1)N2 100706894 MSCLRERCEXWQHS-SFHVURJKSA-N 366.852 3.912 0 40 FHAB CC(C)c1ccccc1OCC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222734234 OXASYVNUFIOZCJ-OAHLLOKOSA-N 355.434 3.837 0 40 FHAB CCOc1ccccc1CCCNC(=O)C1(c2ccccc2)CCOCC1 223028602 SXQGXYCKUJTIGI-UHFFFAOYSA-N 367.489 3.883 0 40 FHAB COc1ccc(CC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C 223522514 KOLOVPKZMYHEAI-UHFFFAOYSA-N 352.478 3.512 0 40 FHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCOc1ccc(C)c(C)c1 224158722 LWPPKFVSLAFFKQ-FQEVSTJZSA-N 357.450 3.665 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(F)cc1 224775558 VKQZWYNEKOPQTF-QGZVFWFLSA-N 370.468 3.620 0 40 FHAB O=C(CSCc1ccc(Cl)cc1F)NCc1ccc2c(c1)OCO2 225160240 ZWOXXEWGLVHDQP-UHFFFAOYSA-N 367.829 3.757 0 40 FHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCOc1ccc(F)cc1 225189939 PPXPQUYFZIBNMD-OAHLLOKOSA-N 357.425 3.667 0 40 FHAB Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)NCc2ccco2)n1 225204325 FZDSLIBIUIJJIV-UHFFFAOYSA-N 357.414 3.747 0 40 FHAB CCO[C@@](C)(C(=O)Nc1ccc(OCCCN(CC)CC)cc1)C1CC1 225723872 HFNUSWNSHUHARZ-OAQYLSRUSA-N 362.514 3.941 0 40 FHAB COc1cccc(Cc2cnc([C@@H]3CCCN3C(=O)c3ccccn3)o2)c1 257283367 OXZKIVLFPZDZLK-IBGZPJMESA-N 363.417 3.646 0 40 FHAB Cc1ccccc1C(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 408628987 YZNSGDWFENITNR-UHFFFAOYSA-N 370.321 3.653 0 40 FHAB COCCO[C@H]1CCN(C(=O)c2ccccc2Nc2ccc(C)cc2)C1 581527427 DYRVSNWFIOPUKD-SFHVURJKSA-N 354.450 3.616 0 40 FHAB Cc1cccc(C)c1[C@H]1CCCN1C(=O)Nc1cnn(-c2ncccn2)c1 666188903 MYSKPWOGNCMMEH-QGZVFWFLSA-N 362.437 3.648 0 40 FHAB C[C@H]1CN([C@H](C)c2ccc(-c3nn[nH]n3)cc2)CCc2ccc(F)cc21 1590304039 OQYVRVCNUJTPML-UONOGXRCSA-N 351.429 3.729 0 40 FHAB CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 1775968078 NQDKRPILGJGEKB-UHFFFAOYSA-N 373.884 3.672 0 40 FHAB COCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)c3ccccc3)n2)cc1 1776006339 RQWREJNCICRRGI-CYBMUJFWSA-N 353.447 3.982 0 40 FHAB COC(=O)c1c(NC(=O)COc2ccccc2C)sc2c1CC[C@@H](C)C2 729936 XIWFGPSVCRKJCQ-GFCCVEGCSA-N 373.474 3.985 0 40 FHAB Cc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1 849452 ZDEMFEKMFFJUEK-UHFFFAOYSA-N 360.841 3.503 0 40 FHAB Cc1ccc(NCc2nnc(SCC(=O)O)n2-c2ccc(C)cc2)cc1 886754 JYHDLMDAFDBPFQ-UHFFFAOYSA-N 368.462 3.673 0 40 FHAB Cc1nn(-c2ccccc2)c2sc(-c3nnc(SCC(=O)O)o3)cc12 928242 JIKPDMWMLNNJQR-UHFFFAOYSA-N 372.431 3.622 0 40 FHAB CCN(CC)C(=O)CSc1nnc2c(C)cc3cc(C)c(C)cc3n12 1223242 JWHBGWRCAYTMLO-UHFFFAOYSA-N 356.495 3.768 0 40 FHAB O=C(NCc1ccc(-n2cccc2)cc1)c1nc(-c2cccs2)no1 1426616 UTHXIYPWBSOJSB-UHFFFAOYSA-N 350.403 3.519 0 40 FHAB CCc1ccc(/C=c2/sc3nc(-c4cccc(Cl)c4)nn3c2=O)cc1 2365965 UXVYXAOYLNWCNQ-MHWRWJLKSA-N 367.861 3.582 0 40 FHAB Cc1ccc(-n2ncc3c2ncn2nc(CCc4ccccc4)nc32)cc1C 2434121 ALFVPWDVOPQMEM-UHFFFAOYSA-N 368.444 3.865 0 40 FHAB CC(C)(C)OC(=O)N[C@@H]1CCCN([C@@H](C(=O)O)c2cc3ccccc3o2)C1 2527371 HDNYGKNQOPVAMD-RHSMWYFYSA-N 374.437 3.548 0 40 FHAB CC(=O)[C@@H](CC(=O)Nc1ccc(C)cc1)C(=O)Nc1ccc(C)cc1C 2655119 IXDSJJOOPFZICC-GOSISDBHSA-N 352.434 3.784 0 40 FHAB C[C@@H](OC(=O)c1ccc2ncsc2c1)C(=O)NCCC1=CCCCC1 3409246 WETAYBWPQDPBKV-CYBMUJFWSA-N 358.463 3.848 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2ccc(Br)cc2F)c1 3611576 VLJUBRXMEYXZRA-UHFFFAOYSA-N 354.175 3.858 0 40 FHAB CCOc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)ccc1O 3662706 VYLUBNJIIUBJPV-PTNGSMBKSA-N 360.479 3.523 0 40 FHAB Cc1ccc(C)c(Cn2c(=O)n(Cc3ccccc3)c(=O)c3ccccc32)c1 3906842 PIRJMMALTJKWDO-UHFFFAOYSA-N 370.452 3.877 0 40 FHAB COc1cccc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)c1OC 4079039 IXDLJENCOBDQRN-UHFFFAOYSA-N 359.382 3.614 0 40 FHAB CCOC(=O)c1c(C)nc(O)nc1SCc1cccc(C(F)(F)F)c1 4317634 KYMODTXVCYTWDL-UHFFFAOYSA-N 372.368 3.978 0 40 FHAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1ccccc1C(F)(F)F 4469029 LGOIEQBAVDXLLJ-LJQANCHMSA-N 374.362 3.989 0 40 FHAB O=C(CCC(=O)OCC(=O)c1ccc(F)cc1)Nc1ccccc1Cl 4543975 MEJLPCKCPLQYSH-UHFFFAOYSA-N 363.772 3.624 0 40 FHAB COC(=O)c1cc(NCc2cccc(Cl)c2)ccc1N1CCOCC1 4705458 BYYUKLIGUASQNK-UHFFFAOYSA-N 360.841 3.575 0 40 FHAB O=C(CSc1ccc2c(c1)OCCO2)N[C@@H]1CCCc2ccccc21 5018472 DDHKHBLIABGDQS-QGZVFWFLSA-N 355.459 3.744 0 40 FHAB O=C(OCc1cc2c(cc1Br)OCO2)c1ccc(F)cc1 5216385 ISXBXMGLZXMPMK-UHFFFAOYSA-N 353.143 3.674 0 40 FHAB c1ccc2c(c1)OC[C@H](c1nnc3c4c5c(sc4ncn13)CCCC5)O2 5958073 KUXDPBBIJNXFKL-CQSZACIVSA-N 364.430 3.730 0 40 FHAB COC(=O)c1ccc(/C=C2\CCn3c2nc2sc(C)c(C)c2c3=O)cc1 6337130 UZDSVZJQJXASES-XNTDXEJSSA-N 366.442 3.806 0 40 FHAB Cn1ccnc1SCC(=O)Nc1nc(-c2cc(F)ccc2F)cs1 6369698 MXEMNCZULCMQFM-UHFFFAOYSA-N 366.418 3.553 0 40 FHAB CCCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(CC)CC)cc2)cc1 7054075 CNALWCPQOXJIFE-UHFFFAOYSA-N 374.506 3.922 0 40 FHAB Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2c(C)noc2C)CC1 7106637 OAGGQWQQCBFADL-UHFFFAOYSA-N 361.873 3.535 0 40 FHAB CCOc1cc(/C=C/C(=O)Nc2nnc(SCC)s2)ccc1OC 7264274 GOPIZVFXBMTDCQ-VQHVLOKHSA-N 365.480 3.709 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccccc2C)c1 7609786 CBXJYDMENBMQDK-UHFFFAOYSA-N 360.479 3.586 0 40 FHAB CN(C)C[C@H](NC(=O)/C=C/c1ccc(Br)cc1)c1ccccc1 7817680 COEWOJDQUVUTPO-HGZMWJMZSA-N 373.294 3.881 0 40 FHAB CCn1cnnc1S[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 7868463 OJEQKLWCHOKASI-MRXNPFEDSA-N 356.426 3.909 0 40 FHAB COc1ccc(C)cc1NC(=O)CN(Cc1cccs1)C[C@@H]1CCCO1 7927195 JWBHOOSHVMOQCL-INIZCTEOSA-N 374.506 3.685 0 40 FHAB COc1ccc(C[C@H]2SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1C 8336393 HJXJGRWDQGAVNU-QGZVFWFLSA-N 359.422 3.949 0 40 FHAB Cc1ccc(-c2ccc(/C=C3\SC(=S)N(C)C3=O)o2)c([N+](=O)[O-])c1 8371236 VVYGLELWIFSETB-ZSOIEALJSA-N 360.416 3.994 0 40 FHAB CCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 8476885 JZZOIFRZGSXQSW-UHFFFAOYSA-N 358.804 3.867 0 40 FHAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cc(Cl)ccn1 8704354 FLSYTWQBAOGOAO-UHFFFAOYSA-N 359.794 3.840 0 40 FHAB C[C@H]1c2cccn2CCN1CC(=O)Nc1ccccc1C(=O)c1ccccc1 8757145 OKSOJRLSYFGCSU-KRWDZBQOSA-N 373.456 3.734 0 40 FHAB O=C1C[C@@H](c2nc3ccccc3[nH]2)CN1c1cccc(Br)c1 8786485 DLPFCOJVUKNGIN-LLVKDONJSA-N 356.223 3.846 0 40 FHAB CC(=O)NCCc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)cs2)cc1 9335936 ZJGPEPPSENYAOC-UHFFFAOYSA-N 369.446 3.642 0 40 FHAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(-c2nccs2)cc1 9337230 IBEMFPMONJIIJJ-YVEFUNNKSA-N 352.415 3.977 0 40 FHAB Cc1ccc(C(=O)CCC(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1 10029969 JDYHWFPZBUXIBM-UHFFFAOYSA-N 364.445 3.623 0 40 FHAB COc1ccc(-c2ccnc3[nH]n(-c4ccc(C)cc4)c(=O)c23)cc1OC 10157157 LLUVHXKUJXCURO-UHFFFAOYSA-N 361.401 3.706 0 40 FHAB Cc1ccc(-n2nnc(C(=O)Nc3ccc(C)c(Cl)c3)c2N)cc1C 10273019 DDODSWYYFWVQEG-UHFFFAOYSA-N 355.829 3.680 0 40 FHAB COc1cccc(CCCNS(=O)(=O)c2cc(Cl)ccc2Cl)c1 10543451 YYNLPTDGTPIWST-UHFFFAOYSA-N 374.289 3.913 0 40 FHAB Cc1ccc(CC(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1C 10703107 SKCKZYSACLJIRA-UHFFFAOYSA-N 354.431 3.866 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)NCCOc1ccc2ccccc2c1 10764623 AJGCUYOMXHVRHV-UHFFFAOYSA-N 363.413 3.696 0 40 FHAB COc1cc(Cl)c(NCC(=O)N[C@H]2CCCc3ccccc32)cc1OC 11098534 DPDGTUKZHFWPSA-INIZCTEOSA-N 374.868 3.963 0 40 FHAB COc1cc(CC(=O)N[C@@H](c2ccccc2)C2CC2)cc(OC)c1OC 11203654 KLZPKGCDARYXHC-FQEVSTJZSA-N 355.434 3.522 0 40 FHAB CSc1ccccc1NCC(=O)Nc1ccc(N2CCCC2=O)cc1 11618531 LIDXCESABVXMEK-UHFFFAOYSA-N 355.463 3.586 0 40 FHAB Cc1cc2nc([C@@H]3CCCCN3C(=O)c3cn(C)nc3C)[nH]c2cc1C 12157762 NXSHUEBVHKOVLD-SFHVURJKSA-N 351.454 3.589 0 40 FHAB O=C(Nc1nnc(C(F)(F)F)s1)c1cnc2ccc(Cl)cc2c1O 12322945 PCEWLRAMKVMHSO-UHFFFAOYSA-N 374.731 3.716 0 40 FHAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-n2cnnn2)ccc1Cl 12389852 VFYRZAPSNGNTQI-UHFFFAOYSA-N 367.718 3.587 0 40 FHAB COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(F)c3c2C(=O)C[C@@H]3C)cc1 12931304 IOXJVSKLPAOOAP-QWHCGFSZSA-N 371.408 3.608 0 40 FHAB CN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1 13072948 WJTDOIFGDYFWEZ-UHFFFAOYSA-N 372.490 3.528 0 40 FHAB O=C(O)C[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 13223897 DTIJTECCJKCRLO-CQSZACIVSA-N 368.216 3.704 0 40 FHAB O=C(O)c1cc(S(=O)(=O)Oc2ccc3ccccc3c2)ccc1Cl 13342198 UYNJEGCTPORMIZ-UHFFFAOYSA-N 362.790 3.959 0 40 FHAB CCOc1ccccc1C(=O)N(Cc1cc2ccccc2[nH]c1=O)C(C)C 13479897 ZWZFWGFDZSDJQM-UHFFFAOYSA-N 364.445 3.978 0 40 FHAB COc1ccc2oc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)c(C)c2c1 14158897 YJVNTCSESIFFHQ-LJQANCHMSA-N 364.445 3.879 0 40 FHAB COc1ccccc1Cn1ccnc1SCC(=O)Nc1ccc(C)cc1 15825584 YRTMHUXDNRCFEC-UHFFFAOYSA-N 367.474 3.979 0 40 FHAB COc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cc1 15882991 RNKCQHBMZNHKJP-UHFFFAOYSA-N 368.820 3.811 0 40 FHAB CCNC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 16126537 IYFVHNNEUHMNBB-UHFFFAOYSA-N 373.261 3.544 0 40 FHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1nc2ccccc2s1 16655140 NJAWEJUAZVFTPF-ZDUSSCGKSA-N 370.430 3.654 0 40 FHAB COC(=O)c1c(NC(=S)Nc2ccc(C)cc2O)sc(C)c1C 17072742 RGMTZOXFRQRCLL-UHFFFAOYSA-N 350.465 3.974 0 40 FHAB COc1ccc(-c2nc(CN3CCC[C@H]3c3nonc3C)c(C)o2)cc1C 19218673 DXACVTXXWGZCSN-KRWDZBQOSA-N 368.437 3.996 0 40 FHAB Cc1cc2nc([C@H]3CCCCN3C(=O)CCn3nccc3C)[nH]c2cc1C 19238456 OUINQVAZIGTSLO-LJQANCHMSA-N 365.481 3.829 0 40 FHAB Cc1sc(NC(=O)CC[C@@H]2CCC(=O)N2)nc1-c1cccc(Cl)c1 19660342 QCYVITAJQWEMBM-ZDUSSCGKSA-N 363.870 3.769 0 40 FHAB Cc1[nH]c2ccccc2c1[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 19864034 RXUOIZFETKHGBQ-NRFANRHFSA-N 350.418 3.627 0 40 FHAB COc1c(S(=O)(=O)NCC2=CCCCC2)ccc(Cl)c1Cl 19942804 YJTYCWYUSOCPHI-UHFFFAOYSA-N 350.267 3.781 0 40 FHAB COc1ccc([C@H](C)NC(=O)/C=C/c2c(OC)cccc2OC)cc1OC 20030257 UAACAMUUUKJTIE-WONIAPNHSA-N 371.433 3.612 0 40 FHAB C[C@@H]1CCC2=NN(C(=O)c3ccccc3Cl)[C@](O)(C(F)(F)F)[C@@H]2C1 20034145 SZVRVRXHGKJCFY-XDMRBOTDSA-N 360.763 3.839 0 40 FHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(OC)c(OC)c1 20106960 OFPPSPVEBXSBPE-QGZVFWFLSA-N 357.450 3.794 0 40 FHAB Cc1ccc(O)c(C(=O)Nc2cccc(I)c2)c1 20304392 RASCXPOFUNXDCK-UHFFFAOYSA-N 353.159 3.558 0 40 FHAB c1ccc(-c2nc(NCCN3CCOCC3)c3oc4ccccc4c3n2)cc1 20444069 OORYOBWUNYXMQT-UHFFFAOYSA-N 374.444 3.787 0 40 FHAB COc1cccc(N2C(=O)[C@H]3CS[C@@H](c4ccc(C)cc4)N3C2=S)c1 20607392 NJXPKUGEQJIGBL-AEFFLSMTSA-N 370.499 3.751 0 40 FHAB CSc1cccc(NC(=O)Cn2nc(-c3ccc(C)cc3)ccc2=O)c1 21174443 XVSZFQKQHVHICW-UHFFFAOYSA-N 365.458 3.579 0 40 FHAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1 23025429 UVSJYQNURBAUIP-IBGZPJMESA-N 373.474 3.698 0 40 FHAB CCOc1ccccc1C(=O)NCC1CCN(Cc2cccs2)CC1 23128048 XCFGDWFKPKYLBI-UHFFFAOYSA-N 358.507 3.789 0 40 FHAB O=C(COc1ccccc1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 23140285 UXDYLLBLZVQFME-AWEZNQCLSA-N 369.446 3.583 0 40 FHAB Cc1ccccc1[C@@H](C)NC(=O)N1CCC(NC(=O)c2ccccc2)CC1 24968499 MHDPSWCPRZWHSW-QGZVFWFLSA-N 365.477 3.660 0 40 FHAB CCC(=O)c1ccc(OCC(=O)Nc2cccc(Cn3ccnc3)c2)cc1 25182772 KBQGKGNJYZKIFT-UHFFFAOYSA-N 363.417 3.542 0 40 FHAB Cc1noc(C)c1C(=O)NCc1ccc(CN2CCc3ccccc32)cc1 27588905 KVBTZMJBYBWAGX-UHFFFAOYSA-N 361.445 3.784 0 40 FHAB O=C(/C=C/c1ccc(Cl)cc1)NCc1ccc(CN2CCOCC2)cc1 29882008 SPWLYNDYDGKYAU-JXMROGBWSA-N 370.880 3.502 0 40 FHAB CC(C)C[C@H](NC(=O)Cc1csc(-c2cccc(Cl)c2)n1)C(=O)O 36365381 YHJNUKCJMJDGHD-AWEZNQCLSA-N 366.870 3.622 0 40 FHAB O=C1NCCN1c1cccc(NCc2cc(Br)cs2)c1 37002456 BMMJAXSIGMBDEF-UHFFFAOYSA-N 352.257 3.652 0 40 FHAB Cc1ccc(-c2nnc(CCC(=O)OCc3nc4ccccc4o3)o2)cc1 39996355 ZROODRVWKDWXBF-UHFFFAOYSA-N 363.373 3.862 0 40 FHAB FC(F)(F)c1nnc2ccc(N[C@H](c3ccccc3)c3ccccn3)nn12 40034711 MKSHXGDOINCLLE-MRXNPFEDSA-N 370.338 3.740 0 40 FHAB O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 40073369 RHMZUFANENWKPK-LBPRGKRZSA-N 370.261 3.693 0 40 FHAB O=C(Cn1ccc2c(Br)cccc21)NCCc1cccs1 40268510 OOGKMDSAEQHGLK-UHFFFAOYSA-N 363.280 3.824 0 40 FHAB O=C(c1c(Cl)nc2ccccn12)N1CCC(OCc2ccccc2)CC1 45037779 KQDCJZYGTWDLLU-UHFFFAOYSA-N 369.852 3.809 0 40 FHAB Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NC1CC1 47296159 CLKFSOBDKNCEHD-UHFFFAOYSA-N 352.818 3.994 0 40 FHAB O=C(Nc1cccnc1N1CCCC1)N[C@H](c1ccccc1)c1ccccn1 48172225 JGGNBTPJPJAVFN-HXUWFJFHSA-N 373.460 3.988 0 40 FHAB COC(=O)Nc1ccc(CNC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 48355456 CPVLPGLBEMOYAX-GFCCVEGCSA-N 362.813 3.602 0 40 FHAB Cc1ccc(C)n1CCCC(=O)NC1CCN(Cc2ccccc2)CC1 49031049 QPMCFIJDMBUVJN-UHFFFAOYSA-N 353.510 3.666 0 40 FHAB O=C(NCCc1nccs1)N1CCC(c2nc3ccccc3s2)CC1 51757117 VLYLWLZYHOJWNL-UHFFFAOYSA-N 372.519 3.885 0 40 FHAB Cc1ccc(Br)cc1NC(=O)[C@@H](C)NC(=O)OC(C)(C)C 53998031 HCWDHVCHEINIQB-SNVBAGLBSA-N 357.248 3.609 0 40 FHAB Cc1cc2ncn(CN3CCC(C(=O)N4CCC[C@H](C)C4)CC3)c2cc1C 54471557 WRWOXGPJBPLPRS-INIZCTEOSA-N 368.525 3.581 0 40 FHAB O=C(Nc1ccc(C(=O)N2CCCCCC2)c(O)c1)c1cc(F)cc(F)c1 55092892 HGQDKFLQXOJSLL-UHFFFAOYSA-N 374.387 3.939 0 40 FHAB CCCOc1ccccc1NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 57287753 GBQLMWAMAGJGOV-UHFFFAOYSA-N 370.493 3.747 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1 64581003 ZWYMVJNVSHDKKM-UHFFFAOYSA-N 354.797 3.736 0 40 FHAB O=C(Cc1cccc(F)c1)Nc1ccc(-c2nnc3n2CCCC3)cc1 66803558 WRLKTZKJYJUGFS-UHFFFAOYSA-N 350.397 3.602 0 40 FHAB Cc1nnc(NC(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)s1 71279772 VCURPFRGZWMEMV-UHFFFAOYSA-N 364.474 3.506 0 40 FHAB CCCCO[C@H]1C[C@@H](N(C)C(=O)c2cncc(Br)c2)C1(C)C 72310288 DJYQAHVTKOTCFM-CABCVRRESA-N 369.303 3.900 0 40 FHAB Cc1nn(C)cc1CN1CCC[C@@H]1c1cncc(Oc2ccc(F)cc2)n1 72384041 YDYPOBABOKEVJU-LJQANCHMSA-N 367.428 3.787 0 40 FHAB Cc1nc2c3ccccc3nc(N[C@@H](c3nc(C4CC4)no3)C(C)C)n2n1 75109717 KKWQRNDKDTUTGQ-OAHLLOKOSA-N 363.425 3.656 0 40 FHAB COc1ccc(CNC(=O)c2ccc3c(c2)CCCC3)c(OC)c1OC 78232946 PXIRHWLWXNFYCX-UHFFFAOYSA-N 355.434 3.521 0 40 FHAB Cc1cccn2c(NC(=O)N(C)C[C@H]3CCOC3)c(-c3ccccc3)nc12 78535480 GKCWDQAHKHZXFC-MRXNPFEDSA-N 364.449 3.810 0 40 FHAB COCCn1ccc2ccc(C(=O)N3CCO[C@H](c4ccccc4)C3)cc21 95476215 KJDRAGYZXBGLBA-NRFANRHFSA-N 364.445 3.501 0 40 FHAB Cc1nc(C(=O)NCc2nc3ccccc3n2C)c(-c2ccccc2)s1 96231692 QASJOQYOVGPBHZ-UHFFFAOYSA-N 362.458 3.935 0 40 FHAB COc1ccc(NC(=O)[C@@H]2CC3(CCN(C)CC3)c3ccccc32)cc1 96241653 CORXAYFUBNYPLZ-LJQANCHMSA-N 350.462 3.785 0 40 FHAB C[C@H]1CCCN1C(=O)c1cc2c(c3ccccc3n2C)n1-c1ncccn1 96264185 MZKGJZHHOAAHEJ-AWEZNQCLSA-N 359.433 3.537 0 40 FHAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 97656368 YWPSUPQDTWZJNP-VBKZILBWSA-N 374.431 3.526 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccccc2OC(C)C)cc1Cl 113941855 VEMUOTJDQDRBPJ-UHFFFAOYSA-N 355.843 3.937 0 40 FHAB Cc1ccc(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)cc1C 139449684 KGIMUWXFXABQBN-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cnc(-c3ccc(F)cc3)nc2)c1 222615473 VIWBMVAVOFEEGW-UHFFFAOYSA-N 353.353 3.552 0 40 FHAB Cc1cccc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 222674836 ZVQGOOGYCWMEII-GOSISDBHSA-N 366.505 3.870 0 40 FHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1 223086215 URQSPJYPYKHYAM-IRXDYDNUSA-N 370.468 3.700 0 40 FHAB COc1ccc(F)cc1S(=O)(=O)N(C)Cc1ccc(C(C)(C)C)cc1 223754720 MVMIAAMCXMGWAF-UHFFFAOYSA-N 365.470 3.953 0 40 FHAB COc1ccc(CNC(=S)Nc2ccc(Br)c(C)n2)cc1 223925253 MLTHFVHYPYTKFF-UHFFFAOYSA-N 366.284 3.648 0 40 FHAB CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 225496575 SQVBSMZROIEZDT-GFCCVEGCSA-N 353.871 3.951 0 40 FHAB CC[C@](C)(OC)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1 225602371 WRXUPVWGGBHFQZ-LZJOCLMNSA-N 362.514 3.797 0 40 FHAB CO[C@@H](CNC(=O)c1ccc2nsnc2c1)c1ccc(Cl)s1 225702234 DJSGJURCUXLDII-NSHDSACASA-N 353.856 3.524 0 40 FHAB O=C(NCc1cccnc1-c1ccncc1)c1ccc(-n2cccc2)cc1 225749483 LGWYSSYPPCVGBT-UHFFFAOYSA-N 354.413 3.864 0 40 FHAB O=C(NCc1ccnc(-c2cccs2)c1)c1cc(-c2ccco2)n[nH]1 238860808 KPTIASDWTIADFK-UHFFFAOYSA-N 350.403 3.723 0 40 FHAB OCCN(CCO)C(Nc1ccccc1)=C(c1ccccc1)c1ccccc1 408734379 OZMWXFBPYZGRLC-UHFFFAOYSA-N 374.484 3.802 0 40 FHAB Cc1ccccc1OCC(=O)N1N=C(CCC(C)C)C[C@]1(O)C(F)(F)F 408957250 SZZQSDPHFOVRPP-KRWDZBQOSA-N 372.387 3.649 0 40 FHAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)NC[C@H]1CCN(C2CC2)C1 514458254 GRLHZIICBCDRDW-GOSISDBHSA-N 371.569 3.927 0 40 FHAB COc1nccc(NC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)n1 585080473 XXUBEIBJNSFMRB-SFHVURJKSA-N 360.417 3.665 0 40 FHAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)N[C@H]1C[C@H](O)C1 620868254 JZSNXVRGZFKLOY-WKILWMFISA-N 352.409 3.546 0 40 FHAB COc1ccc(OC)c(C(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)c1 679551719 CYODISIQDNQALF-SFHVURJKSA-N 369.465 3.823 0 40 FHAB c1ccc(CN2C[C@H](c3nc(-c4ccsc4)no3)[C@@]3(CCOC3)C2)cc1 685942155 FGQCMTOVLJGTGR-XLIONFOSSA-N 367.474 3.804 0 40 FHAB C=CC(=O)Nc1ccc(O)c(C(=O)N(C)[C@@H]2CCCc3ccccc32)c1 1542538024 CTCPSTYKORWTNZ-GOSISDBHSA-N 350.418 3.666 0 40 FHAB CN1CCC[C@@H](c2cncc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1 2037844515 VCFJVHZBYRKBAS-GFCCVEGCSA-N 361.371 3.619 0 40 FHAB CCOC(=O)[C@H](C)n1cnc2sc(C)c(-c3ccc(F)cc3)c2c1=O 807853 QOAQHWBCIDQXOL-JTQLQIEISA-N 360.410 3.697 0 40 FHAB COc1cccc(OCc2nnc(SCC(=O)c3ccc(C)cc3)o2)c1 876073 GVCBKFAHCASWGJ-UHFFFAOYSA-N 370.430 3.941 0 40 FHAB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2ccccc2c1=O 915458 UBJNRLJNXRUZEU-UHFFFAOYSA-N 367.474 3.764 0 40 FHAB CCOc1ccc(Br)cc1/C=C/C(=O)NCc1ccco1 941450 WJYKAFIPIQWYQE-VMPITWQZSA-N 350.212 3.770 0 40 FHAB Cc1cc(NC(=O)NCc2ccco2)ccc1NC(=O)NCc1ccco1 1677700 NUDKLQXVGVLWAM-UHFFFAOYSA-N 368.393 3.824 0 40 FHAB Cc1ccccc1NC(=O)CCCCCN1C(=O)c2ccccc2C1=O 1782126 HIPKOFSTIXIDLU-UHFFFAOYSA-N 350.418 3.790 0 40 FHAB CCOC(=O)C(=CNc1ccc(Cl)c(C(F)(F)F)c1)C(=O)OCC 2051764 LZMWCNRFKZHERO-UHFFFAOYSA-N 365.735 3.781 0 40 FHAB NC(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 2131821 QNKSKGDUBOFQNQ-UHFFFAOYSA-N 367.232 3.890 0 40 FHAB Cc1cc(C)c(NC(=O)CSc2nnc(C3CCCCC3)n2N)c(C)c1 2403334 TWXBZPFQHWFDPP-UHFFFAOYSA-N 373.526 3.696 0 40 FHAB CCc1ccc(NC(=O)[C@H](C)OC(=O)/C=C/c2ccc(O)c(OC)c2)cc1 3276604 RXJBVUDEZMPHEV-BCNIOPEESA-N 369.417 3.547 0 40 FHAB Cc1ccc(C(=O)[C@@H](C)Sc2nnnn2-c2ccc(C)cc2C)cc1 3367861 DQKBOOMOWOBQCP-OAHLLOKOSA-N 352.463 3.951 0 40 FHAB COc1ccc(C(=O)COC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1OC 3390005 PPJNITYACKRDBJ-GFCCVEGCSA-N 374.458 3.930 0 40 FHAB Cc1cc(C)cc(NC(=O)CSc2nnnn2-c2ccc(Cl)cc2)c1 3493294 JIXRIMWPTZNCPR-UHFFFAOYSA-N 373.869 3.663 0 40 FHAB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(C)cc2)N2C(=O)[C@H](C)SC2=N1 3904331 WJQXZXCWWWSKHR-WMLDXEAASA-N 372.490 3.843 0 40 FHAB COc1ccc(C(=O)N2CCN=C2SCc2ccc(C)cc2)c(OC)c1 4120364 CNPVBOIBLDEQFQ-UHFFFAOYSA-N 370.474 3.757 0 40 FHAB CCOc1ccccc1[C@@H]1CC(c2ccc(OC)c(OC)c2)=NN1C(C)=O 4317625 ASBSFTUZJZGSQQ-SFHVURJKSA-N 368.433 3.800 0 40 FHAB CS(=O)(=O)c1cccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1 4517818 GVNQGLAXWXSMQR-UHFFFAOYSA-N 366.851 3.606 0 40 FHAB CCc1cc2cc(OC)ccc2nc1SCC(=O)NCc1ccco1 4849360 CDSMLVPXRIUWLH-UHFFFAOYSA-N 356.447 3.807 0 40 FHAB O=C(NC1CCN(C(=S)Nc2cccc(Cl)c2)CC1)c1ccccc1 4888655 RRFLHUWKIRTLHQ-UHFFFAOYSA-N 373.909 3.931 0 40 FHAB C[C@H](Sc1nc2ccccc2o1)C(=O)Nc1ccc2c(c1)OCCO2 5033938 BMQPRSYVWIXFMG-NSHDSACASA-N 356.403 3.718 0 40 FHAB COc1ccc(Br)cc1/C=C/C(=O)O[C@H]1CCCCC1=O 5079375 VSOWWKHHVUCDOW-PPYMECGQSA-N 353.212 3.526 0 40 FHAB COc1cccc(Cn2cnc3c([nH]c4ccc(Cl)cc43)c2=O)c1OC 5093404 KZCMTJNWSWIFII-UHFFFAOYSA-N 369.808 3.597 0 40 FHAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)cc1 5099298 CKAXPXSHNTUIQF-UHFFFAOYSA-N 364.445 3.702 0 40 FHAB Cc1cc(C)cc(NC(=O)c2cccn(Cc3cccc(F)c3)c2=O)c1 5268822 MSDTTXHTLCIJHL-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB COc1cc2[nH]c(C(=O)N[C@H](C)c3ccccc3)cc2c(OC)c1OC 5348981 BGEZPDKPIOFNPJ-GFCCVEGCSA-N 354.406 3.685 0 40 FHAB CCSc1nnc(NC(=O)Cc2csc(-c3ccccc3)n2)s1 5443122 WMHZNCRMXQAKKN-UHFFFAOYSA-N 362.505 3.955 0 40 FHAB O=C(O)c1cccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)c1 5898824 AWEXCJROCFRHAR-UHFFFAOYSA-N 369.229 3.818 0 40 FHAB COc1ccc(OC)c([C@H]2c3cc4c(cc3O[C@@](C)(OC)[C@@H]2C)OCO4)c1 6201544 ZTEKYRBIKZVOMH-YULWEGQASA-N 372.417 3.956 0 40 FHAB C[C@@H](NC(=O)c1ccccc1Br)c1ccc(-n2cncn2)cc1 6540894 WPAMDGADYFXMIN-GFCCVEGCSA-N 371.238 3.521 0 40 FHAB COc1ccc(Nc2ccccc2NC(=O)Cn2nnc3ccccc32)cc1 6647127 HTOHOSGAYRHPBI-UHFFFAOYSA-N 373.416 3.822 0 40 FHAB COc1ccc(-c2nnc(SCCC(N)=O)n2[C@@H]2CCCC[C@@H]2C)cc1 7205028 XPCALVFDWWKCGE-XJKSGUPXSA-N 374.510 3.672 0 40 FHAB CCc1nnc(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)s1 7346808 IXRSJJGPWRCJGU-UHFFFAOYSA-N 358.423 3.537 0 40 FHAB CC(C)(C)SCC(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1 7785771 JVJCLLYWDQGOAG-UHFFFAOYSA-N 365.373 3.599 0 40 FHAB COc1ccc(C(=O)COC(=O)Cc2csc(-c3ccsc3)n2)cc1 8001460 XGBGCQLVPMVVCR-UHFFFAOYSA-N 373.455 3.849 0 40 FHAB CCOc1cc(CNC2CCCCCCC2)cc(Cl)c1OCC(N)=O 8253750 FGBSEVFTSNYPMH-UHFFFAOYSA-N 368.905 3.805 0 40 FHAB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3cccc(F)c3)n2)cc1 8483973 VLGQTOULGBMXGJ-UHFFFAOYSA-N 356.426 3.904 0 40 FHAB COc1ccc(Br)cc1COc1ccc(NC(C)=O)cc1 8501790 ZGUHENVOERPYFO-UHFFFAOYSA-N 350.212 3.995 0 40 FHAB Cc1cc(C)c(-c2csc(NC(=O)CNC(=O)C(C)(C)C)n2)c(C)c1 8778423 BMQFZKFLRKVCNS-UHFFFAOYSA-N 359.495 3.836 0 40 FHAB Cc1ccc(CN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1 8892042 GCKOHECJJWSCQQ-LJQANCHMSA-N 360.360 3.564 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)NCc3ccc(C(C)C)cc3)CC2=O)cc1 9235903 DZTMLZILVFSGSX-LJQANCHMSA-N 350.462 3.788 0 40 FHAB COc1cccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)C(C)(C)C)c1 9282117 BJTGPOPXWKYPHK-UHFFFAOYSA-N 364.445 3.978 0 40 FHAB C[C@H](c1cccs1)N(C)CC(=O)Nc1cccc(N2CCCC2=O)c1 9446098 BMDDNWUQZAAYJF-CQSZACIVSA-N 357.479 3.506 0 40 FHAB CC(C)CCNC(=O)[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 9576463 NRRVWFWCIOWVTF-SFHVURJKSA-N 369.509 3.501 0 40 FHAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2nc(C)cs2)cc1 9691015 ATLCNWRDKYFAMY-UHFFFAOYSA-N 359.480 3.710 0 40 FHAB COC(=O)C1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 9940842 OWIUGYLMFBNFAC-MRXNPFEDSA-N 352.862 3.632 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)NCC1(c2ccccc2)CCC1 10221503 JTIDLZWWJUZMNK-UHFFFAOYSA-N 367.445 3.515 0 40 FHAB COc1cccc([C@@H]2CCCN2CC(=O)NCc2ccc(Cl)cc2)c1 10225809 WQFHIYUIHITUBW-IBGZPJMESA-N 358.869 3.802 0 40 FHAB CCn1/c(=N\C(=O)c2ccc3c(c2)OCCO3)sc2cc(Cl)ccc21 12180830 NQVDMVBXIJXULR-CZIZESTLSA-N 374.849 3.888 0 40 FHAB O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc2c(c1)OCCO2 12402872 ROPWOMCEMISRBL-UHFFFAOYSA-N 373.368 3.913 0 40 FHAB CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc2c(c1)NC(=O)CO2 12771547 KSFKKYIAGDWJCH-UHFFFAOYSA-N 365.216 3.597 0 40 FHAB CCCn1c(=O)n(CCC(=O)Nc2cc(F)cc(F)c2)c2ccccc21 12938820 OQUPWDGEKSMPPS-UHFFFAOYSA-N 359.376 3.520 0 40 FHAB COc1ccc(NC(=O)c2ccc(Br)o2)cc1OC(F)F 12983975 IQMQDKHXVFWLBX-UHFFFAOYSA-N 362.126 3.904 0 40 FHAB CCONC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 12999587 VOXJKUHVKRUIDV-UHFFFAOYSA-N 355.825 3.933 0 40 FHAB CCCCSc1nnc(SCN2C(=O)c3ccccc3C2=O)s1 13023367 KFZYFBKGLLWYPR-UHFFFAOYSA-N 365.505 3.776 0 40 FHAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2Cl)cc1 13097113 XHLVCOBQUZVQFZ-UHFFFAOYSA-N 366.870 3.587 0 40 FHAB O=C(Nc1ccc2cn[nH]c2c1)c1cc2nccc(-c3cccs3)n2n1 13644381 HQQCIGJCXQCVCW-UHFFFAOYSA-N 360.402 3.586 0 40 FHAB Cc1nc2ccc(NC(=O)[C@@H](C)n3c(=O)oc4ccccc43)cc2s1 14107972 CFNRBAIGNTUYIE-SNVBAGLBSA-N 353.403 3.712 0 40 FHAB COc1ccc(C(=O)COc2ccc(F)c3c2C(=O)C[C@@H]3C)cc1OC 14196590 YGJQACHQYUJDDZ-NSHDSACASA-N 358.365 3.795 0 40 FHAB C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(CN2CCCCC2)cc1 14197804 ZUFKRYYVVWCSNK-KRWDZBQOSA-N 370.468 3.895 0 40 FHAB CSc1ncccc1C(=O)Nc1ccccc1C(=O)NC1CCCC1 14424137 QQJYMAHCOSBKRZ-UHFFFAOYSA-N 355.463 3.728 0 40 FHAB Cc1nc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)sc1C 14778968 GCLXUSJZRJJCKH-UHFFFAOYSA-N 356.451 3.756 0 40 FHAB COc1ccc(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 15538947 UCWBVJDSCRPTLI-NJGYHNCTSA-N 365.429 3.843 0 40 FHAB c1cc(-c2noc([C@@H]3Cc4[nH]cnc4CN3CC3CCCCC3)n2)ccn1 15675634 VUBMJKWJPOBHOZ-SFHVURJKSA-N 364.453 3.534 0 40 FHAB biogenic,in-vitro CCc1nnc(-c2cc3ccccc3n2CC(=O)N2CCc3ccccc32)o1 15881370 VEKKVIBFDXQFHP-UHFFFAOYSA-N 372.428 3.843 0 40 FHAB CCCC(=O)N1N=C(c2ccccc2)Sc2c1ncn2C(=O)CCC 16777606 AONXGEIDGKTVBA-UHFFFAOYSA-N 356.451 3.924 0 40 FHAB COc1ccc(/C=C/C(=O)NN2CCc3cc4ccc(C)cc4nc32)cc1 16778475 HFJLEUORCMIZJQ-UXBLZVDNSA-N 359.429 3.659 0 40 FHAB CC(=O)N1N=C(c2ccc(C(C)(C)C)cc2)Sc2c1ncn2C(C)=O 16806961 VPSIUDOFUDREPH-UHFFFAOYSA-N 356.451 3.661 0 40 FHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](C)c1cc2ccccc2o1 18203517 ZAFLRIKWWFYYJU-ZDUSSCGKSA-N 357.431 3.636 0 40 FHAB CN(C(=O)[C@@H]1CC=CCC1)C1CCC2(CC1)CNCc1ccccc1O2 19586702 FVRJNBSBXUXQIG-BWDFOLQRSA-N 354.494 3.665 0 40 FHAB Cc1ccc(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)c(C)c1 19937596 HBNXUNNXAIYLQH-UHFFFAOYSA-N 367.836 3.888 0 40 FHAB COc1ccc(-c2nnc(S[C@H]3CCc4ccccc4NC3=O)o2)cc1 20721623 LKSHHRAEIWANDI-INIZCTEOSA-N 367.430 3.791 0 40 FHAB COc1ccc(-c2cnc3c(-c4ccccc4)c(C)nn3c2N)cc1OC 21728668 ORVBWLBIQLDSHJ-UHFFFAOYSA-N 360.417 3.971 0 40 FHAB CCOc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2CCCCC2)cc1 22626025 GXLBHNANEFQCBX-INIZCTEOSA-N 372.494 3.779 0 40 FHAB O[C@H](CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1 25217797 OLYOSAMUPWLZNO-GOSISDBHSA-N 368.374 3.700 0 40 FHAB O=c1c(Cl)c(N[C@@H]2CCOc3ccccc32)cnn1-c1ccccc1 25370630 NNMDKDIZHNSTTC-OAHLLOKOSA-N 353.809 3.822 0 40 FHAB C[C@@H](CNC(=O)COc1ccc2ccccc2c1)N1CCc2ccccc2C1 25634664 YJZFMLGGFFEKEF-SFHVURJKSA-N 374.484 3.782 0 40 FHAB COc1ccc2nc(C(=O)Nc3ccccc3N3CCCC3=O)ccc2c1 26077450 PQDCSODRMNBMDR-UHFFFAOYSA-N 361.401 3.623 0 40 FHAB COc1cc(CNC(=O)CCc2ccccc2)ccc1OC[C@@H]1CCCO1 32930351 CIBAJDGGWNBXRD-IBGZPJMESA-N 369.461 3.502 0 40 FHAB O=C(NCc1cccnc1OCC(F)(F)F)c1c(F)cccc1Cl 33108867 WHEGNMQLMFENOI-UHFFFAOYSA-N 362.710 3.745 0 40 FHAB COc1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1COc1cc(C)ccc1C 36612339 WVBGUDRQZQPLDD-LPHOPBHVSA-N 373.474 3.679 0 40 FHAB CCN(CC)Cc1ccccc1CNC(=O)N1CCc2ccccc2C1 40069039 BIEZQVYSQCFYAN-UHFFFAOYSA-N 351.494 3.796 0 40 FHAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cc(F)cc(F)c1 40088263 KLDYRTWUWAECOV-UHFFFAOYSA-N 355.388 3.822 0 40 FHAB CSc1cc(C(=O)CSc2cc(C)nc(C)n2)ccc1NC(C)=O 43242585 KNAZGONEAAYJMY-UHFFFAOYSA-N 361.492 3.749 0 40 FHAB Cc1ccc(C)c(N2CCN(C(=O)c3csc(-n4cccc4)n3)CC2)c1 44448418 UCRGORRBKPCXFH-UHFFFAOYSA-N 366.490 3.513 0 40 FHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(N2CCCC2=O)cc1 44947464 XTCSRQAQWMPEOQ-SFHVURJKSA-N 352.434 3.918 0 40 FHAB CCCC(=O)Nc1ccc(-c2csc(CCN3CCOC3=O)n2)cc1 45816922 QNSJNJDLJGPKPR-UHFFFAOYSA-N 359.451 3.543 0 40 FHAB CC(C)n1c(=O)sc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 46017554 IISXNIZEFNENBR-UHFFFAOYSA-N 366.439 3.584 0 40 FHAB O=C(Nc1ccccc1)c1cccc(NS(=O)(=O)c2cccs2)c1 46897952 LRVQMDKNJFVSED-UHFFFAOYSA-N 358.444 3.801 0 40 FHAB COc1ccc([C@H]2CC(O)=Nc3c2cnn3C(C)(C)C)c(OC)c1OC 49544526 LKTMMTINNNRBGJ-GFCCVEGCSA-N 359.426 3.788 0 40 FHAB CCOc1ccc(-c2cc(C(=O)Nc3cc(OC)cc(OC)c3)n[nH]2)cc1 51315422 RAPZXIWFBWTINW-UHFFFAOYSA-N 367.405 3.745 0 40 FHAB O=S(=O)(/C=C/c1ccccc1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 56138188 KNAWWMNTEWIXRN-LQCDIEKVSA-N 361.438 3.636 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(Cc1ccccn1)C1CC1 57995581 OOQONCGMQLIZSZ-UHFFFAOYSA-N 360.461 3.618 0 40 FHAB Cc1nccc(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)n1 58416650 TYFUOYARXHLTBF-GOSISDBHSA-N 356.429 3.828 0 40 FHAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(Cl)ccc1-n1cnnn1 58778721 DHZFAOJTUJUMFL-UHFFFAOYSA-N 368.611 3.875 0 40 FHAB COc1ccc(CCNC(=O)N(Cc2ccccn2)Cc2ccco2)cc1 62018145 JYXJGIAAYKDRKG-UHFFFAOYSA-N 365.433 3.638 0 40 FHAB CCCCCCn1c(SCCCNC(C)=O)nc2ccccc2c1=O 67944285 DWWWYLBPEQGQRR-UHFFFAOYSA-N 361.511 3.595 0 40 FHAB Cc1cc(C(=O)Cn2nccc2-c2ccncc2)c(C)n1CC(F)(F)F 68777221 KPTVVAVKMHTRKO-UHFFFAOYSA-N 362.355 3.809 0 40 FHAB Cc1ncc(CN(C)C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)s1 69519266 VPESLSDXWCAGTQ-INIZCTEOSA-N 361.467 3.673 0 40 FHAB O=C(Nc1cccc2[nH]ccc12)[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1 72400636 ZEKWHYCPUFOYPR-CQSZACIVSA-N 367.836 3.809 0 40 FHAB COc1cccc(-c2noc(CN(C)C(=O)c3ccc(Cl)cc3)n2)c1 78578906 VQMROKJKFMXGEL-UHFFFAOYSA-N 357.797 3.671 0 40 FHAB Cc1noc(C)c1NC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 78716749 FBYWMSJIVSJAAM-GHMZBOCLSA-N 362.405 3.688 0 40 FHAB C[C@@H](Cc1ccsc1)N(C)C(=O)c1cc(N2CCCC2=O)ccc1F 81398504 FPKHZABVZXKKIB-ZDUSSCGKSA-N 360.454 3.717 0 40 FHAB CCOC(=O)c1c(CN2CC[C@@H](Oc3ccccn3)C2)oc2ccccc12 89984831 FWMJACSDGLTVAI-OAHLLOKOSA-N 366.417 3.658 0 40 FHAB Cc1nn(C)c(C)c1CCNC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 95349618 TWOXGGWCJWWYPQ-CVEARBPZSA-N 365.399 3.518 0 40 FHAB Cn1cc(C(=O)NCCc2c[nH]c3cc(F)ccc23)c(C(F)(F)F)c1 95469370 QPHXNRXZYWXOQN-UHFFFAOYSA-N 353.319 3.637 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2nccc(-c3ccccc3)n2)c(Cl)c1 95944021 ZGHWNVALJAJHLG-UHFFFAOYSA-N 359.838 3.906 0 40 FHAB CCOc1ccc(NC(=O)c2cc(C(C)C)nc(N3CCCC3)n2)cc1 96101265 SJXVPTWYYJAOFU-UHFFFAOYSA-N 354.454 3.851 0 40 FHAB Cc1ccc(N2CC[C@@]3(CN(Cc4cccs4)CCC3(F)F)C2)nn1 96239761 KQGCVNPYZKDXMZ-QGZVFWFLSA-N 364.465 3.584 0 40 FHAB Cc1cc(I)ccc1NC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C2 100461134 GPGAJOBVZNJYON-NQBHXWOUSA-N 355.219 3.974 0 40 FHAB CC(C)(C)[C@H](NC(=O)c1nn(CC2CCCCC2)c2ccccc12)C(=O)O 140029007 BDFKDDNZVYVPRC-GOSISDBHSA-N 371.481 3.846 0 40 FHAB in-vitro Cc1c(CNC(=O)N2CCC[C@H]2Cn2ccnc2C)oc2ccccc12 176230685 LVOZWPCYRDGBRI-INIZCTEOSA-N 352.438 3.620 0 40 FHAB COc1cccc(O[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 219305537 HIBVMXUQKQFBIR-RDTXWAMCSA-N 355.434 3.881 0 40 FHAB Cc1cccc(N([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)S(C)(=O)=O)c1 220131746 XDLRKBSFEXSLDT-KRWDZBQOSA-N 374.506 3.713 0 40 FHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(C(=O)N(C)C)cc1 222689183 AMPHUPULKOMAID-OAHLLOKOSA-N 366.461 3.673 0 40 FHAB COc1ccc(S(=O)(=O)NCCSC2CCCC2)cc1C(C)C 223445388 PHLRAKUCPQPQAR-UHFFFAOYSA-N 357.541 3.773 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)NCCOc1ccc2ccccc2c1 223626608 WQVIIIJJVOGXLJ-MRXNPFEDSA-N 365.429 3.811 0 40 FHAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NCC(C)C 224349096 GUOFSMSTSAQOAC-GFCCVEGCSA-N 359.297 3.893 0 40 FHAB CC(C)CSc1nnc(NC(=O)COc2ccc(Cl)cc2)s1 224617908 PIUGCUYNELDBTD-UHFFFAOYSA-N 357.888 3.957 0 40 FHAB CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(F)cc1 224908306 LJTGZSDVQPYSCG-UHFFFAOYSA-N 358.232 3.803 0 40 FHAB O=S(=O)(Cc1ccccc1Cl)Nc1ccc(N2CCCC2)cc1 224917200 HOXCHQRZDBJQCF-UHFFFAOYSA-N 350.871 3.882 0 40 FHAB CC(C)(C)c1ccc(/C=C/C(=O)NC[C@H]2COc3ccccc3O2)cc1 225236318 MJYSIUSEQJAUJX-HGZMWJMZSA-N 351.446 3.954 0 40 FHAB Cc1ccccc1NC(=O)Cn1ccc(=O)c2ccc(Br)cc21 225738572 LCTXJUKBFXSWFX-UHFFFAOYSA-N 371.234 3.711 0 40 FHAB C[C@@H](COc1ccccc1)NC(=S)Nc1cccc(N2CCCC2=O)c1 225784232 MHRXWRHCHVTWOL-HNNXBMFYSA-N 369.490 3.567 0 40 FHAB O=C(COc1ccc(-c2ccccc2)cc1)N1CC[C@@H](Oc2ccncc2)C1 245015327 LWKKQFQHNUCNIJ-JOCHJYFZSA-N 374.440 3.807 0 40 FHAB Cn1cc(C(=O)N2CCCC[C@H]2c2ccn3nccc3n2)c2ccccc21 257330623 XPDGYEWSJQSIDE-IBGZPJMESA-N 359.433 3.588 0 40 FHAB Cc1cccnc1Nc1nccnc1[C@@H]1CCCN(Cc2cncs2)C1 257338958 YZPSRGGCURCEMS-OAHLLOKOSA-N 366.494 3.760 0 40 FHAB Cc1cccc(C(=O)Nc2cc3nc(O)[nH]c3cc2N2CCCCC2)c1 408526520 CIRNEWNAICLKQF-UHFFFAOYSA-N 350.422 3.820 0 40 FHAB Cc1cc(C)nc(SCc2nc(O)c3c4c(sc3n2)CCCC4)n1 408583177 SFCWFEJAQQPRND-UHFFFAOYSA-N 358.492 3.975 0 40 FHAB CCCN1C(=O)N/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C1=O 409235369 PDIXXURGBNAVPY-LDADJPATSA-N 354.381 3.707 0 40 FHAB Cc1ccccc1O[C@@H]1CCC[C@H](NCCCOc2ccccc2)[C@H]1O 585289374 QKMMCYXIKNWRQA-KSEOMHKRSA-N 355.478 3.715 0 40 FHAB CN1CCC[C@@H](NC(=O)[C@]2(Cc3ccc(Cl)cc3)C[C@H]3CC[C@H]2C3)C1 605304466 VALDBDVGAHBLFR-MHYXUVESSA-N 360.929 3.899 0 40 FHAB Cc1sc(C(=O)O)cc1CN1CCN(Cc2cc3ccccc3[nH]2)CC1 629379323 ZXOWDKHQAWVNTK-UHFFFAOYSA-N 369.490 3.554 0 40 FHAB O=C(NCc1c(F)cccc1OC(F)F)NC[C@@H]1CCC2(CCCC2)O1 654468120 OSYGEUFYQPZMAQ-LBPRGKRZSA-N 372.387 3.718 0 40 FHAB Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)NC[C@@H](O)C1CC1 1149642743 PMGKPHNZENIEHA-CYBMUJFWSA-N 370.396 3.638 0 40 FHAB COC1(C)CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CC[C@H](C)C2)C1 1697217258 STZABGUHEIMPGU-RDJZCZTQSA-N 372.488 3.669 0 40 FHAB COc1ccc(C(=O)NC[C@@H](O)c2ccc(-c3cccs3)o2)cc1F 1775967560 WRCUVIVPVFIKHO-CYBMUJFWSA-N 361.394 3.619 0 40 FHAB O=C(OCCF)N1CCC([C@@H]2CCCCN2Cc2cccc(F)c2)CC1 2056225550 QQXBWCPMAHUSHD-IBGZPJMESA-N 366.452 3.998 0 40 FHAB COc1ccc(Cc2nnc(NC(=O)[C@@H](C)Oc3ccccc3)s2)cc1 789966 DESZHKOGMKDRSS-CYBMUJFWSA-N 369.446 3.544 0 40 FHAB CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccs3)cc12 793394 GCZMWCPKGCNKSV-UHFFFAOYSA-N 365.432 3.780 0 40 FHAB C[C@H](C(=O)Oc1ccc(C(C)(C)C)cc1)N1C(=O)c2ccccc2C1=O 948262 FLIHIGOPYRUHLV-CYBMUJFWSA-N 351.402 3.574 0 40 FHAB COc1ccc(/C=C/C(=O)N2CCCC[C@H]2c2cccnc2)cc1OC 1321657 VRKHXRURLWDXPX-CKDFRHGISA-N 352.434 3.866 0 40 FHAB biogenic COc1ccc(/C=C/C(=O)Oc2ccc3c(C)cc(=O)oc3c2)c(OC)c1 1780510 PXRSQOQIRCMGBC-WEVVVXLNSA-N 366.369 3.737 0 40 FHAB CCOC(=O)c1c(NC(=O)c2ccccc2OC(C)=O)sc2c1CCC2 2283835 WMLAZASHSTYECX-UHFFFAOYSA-N 373.430 3.591 0 40 FHAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1 2726293 FLWUZWQCTGOIFK-UHFFFAOYSA-N 350.340 3.794 0 40 FHAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)N[C@H](C)c1ccccc1 3497466 WDWVMMTUBDFBPU-CQSZACIVSA-N 364.401 3.684 0 40 FHAB Cc1cccc(-n2nc3c(c2NC(=O)c2cccs2)C[S@](=O)C3)c1C 4106261 CRKGHYXJEUXAMM-RUZDIDTESA-N 371.487 3.565 0 40 FHAB CCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1-n1cccc1 4518544 MYSPQQPRBHMJAX-UHFFFAOYSA-N 369.494 3.691 0 40 FHAB COc1cc(/C=C\C(=O)O[C@@H]2CCCCO2)ccc1O[C@@H]1CCCCO1 4532545 NGMZSNUKQQRJJT-ZVVOFETISA-N 362.422 3.684 0 40 FHAB Cc1ccc([C@@H]2c3c(ncn(N)c3=N)Oc3ccc4ccccc4c32)cc1 4649146 YKHYHBZDFOUOCP-SFHVURJKSA-N 354.413 3.824 0 40 FHAB COc1ccccc1[C@H]1C[C@H](c2ccccc2)N(C(=O)C2CC2)c2ncnn21 4816914 FBQSFNWNJMGPSI-RTBURBONSA-N 374.444 3.764 0 40 FHAB O=S1(=O)C[C@H]2[C@H]1[C@]1(c3ccccc3)O[C@@]2(c2ccccc2)c2ccccc21 4945880 OTRXFUPTBFSOCH-CWBXHPNXSA-N 374.461 3.631 0 40 FHAB Cc1cc(C)c(NC(=O)N[C@H]2CC(=O)N(c3cccc(F)c3)C2)c(C)c1 5194031 CXLWTJVEEYHMBS-INIZCTEOSA-N 355.413 3.678 0 40 FHAB COc1ccccc1CNC(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2 5405004 RFXZPUNZCPKDJY-BQYQJAHWSA-N 373.836 3.840 0 40 FHAB CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3ccccc3F)ccc12 5465155 BRIGISODUKYSIO-LBPRGKRZSA-N 355.365 3.901 0 40 FHAB COc1cccc(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)c1 5745993 LDXLWMDIDFZPBK-OAHLLOKOSA-N 362.838 3.790 0 40 FHAB COc1ccc(Nc2nnc3nc(O)c4c5c(sc4n23)CCCC5)cc1 5810793 NNHMUHTVSCMOIJ-UHFFFAOYSA-N 367.434 3.676 0 40 FHAB Cc1nnc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)n1C1CCCCC1 5865573 LTJFIECYIXKMCR-XJKSGUPXSA-N 350.532 3.879 0 40 FHAB O=C(CSc1nnc2n1CCCCC2)c1ccc(Br)cc1 6098343 VDFMGYFGMRXXCM-UHFFFAOYSA-N 366.284 3.742 0 40 FHAB COc1ccccc1OCCN1C(=O)S/C(=C/c2ccccc2)C1=O 6378690 WIXCMUJPMUCAPB-GHRIWEEISA-N 355.415 3.811 0 40 FHAB NC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)C1 7989650 LCQLZSGWJPJPPM-SNVBAGLBSA-N 367.232 3.591 0 40 FHAB Cc1cccc(C(=O)OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 8313910 LCKDQKQRSCITFD-MRXNPFEDSA-N 351.446 3.908 0 40 FHAB O=C1N[C@@H](c2cn(-c3ccccc3)nc2-c2cccnc2)Nc2ccccc21 8718170 RLTHIYTXSJRIMH-NRFANRHFSA-N 367.412 3.788 0 40 FHAB Cc1cccc(Oc2ccc(NC(=O)CSc3nncn3C)cc2)c1 8728877 IIEFQYLQISKQDE-UHFFFAOYSA-N 354.435 3.647 0 40 FHAB O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1ccsc1 8753746 LGYYWTHQHRZOTN-UHFFFAOYSA-N 366.398 3.981 0 40 FHAB O=C1Nc2ccccc2Oc2ccc(NS(=O)(=O)c3cccs3)cc21 8961187 ANYHGTRPSUQWTF-UHFFFAOYSA-N 372.427 3.907 0 40 FHAB O=C(NC[C@@H](O)c1ccccc1)c1ccc2nc(-n3cccc3)sc2c1 8990353 WQMXEOJRVXPVFB-QGZVFWFLSA-N 363.442 3.550 0 40 FHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1COc2ccccc2O1 9512171 NLTGJZPXIZBAIC-WBMJQRKESA-N 354.431 3.656 0 40 FHAB O=C(COC(=O)C1(c2ccccc2)CCC1)Nc1cccc2ncccc12 10421873 BXRAFIKMQXRCKD-UHFFFAOYSA-N 360.413 3.838 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)O[C@H](C(=O)N(C)C)c1ccccc1 10926193 XTDCJOGBUIZMEV-IBGZPJMESA-N 366.392 3.669 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)CN2CCC[C@H](C(F)(F)F)C2)c1 11218626 YBEKOCLVOPGZDM-ZDUSSCGKSA-N 374.403 3.697 0 40 FHAB Cc1ccc2nc(CNc3cc(Cl)ccc3N3CCCC3)cc(=O)n2c1 11620961 DFDGMPFBAPSCDW-UHFFFAOYSA-N 368.868 3.869 0 40 FHAB COc1ccc(/C=C\C(=O)NCc2cc(-c3ccccc3)on2)cc1OC 12235399 INUWHRIWGOJMEM-LUAWRHEFSA-N 364.401 3.688 0 40 FHAB O=C(NCc1ccccc1Cl)c1nc(-c2cccc3[nH]ccc23)no1 12322345 QVGGXSSBHSHERJ-UHFFFAOYSA-N 352.781 3.801 0 40 FHAB CN(Cc1nc2ccccc2s1)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 12762084 HXTHAYJNFWWMLM-OAHLLOKOSA-N 358.850 3.912 0 40 FHAB Cc1nc(C(=O)N[C@@H](C)c2cccc(Cl)c2)nn1-c1ccc(F)cc1 12776475 TXXPDMUSCQJZBS-NSHDSACASA-N 358.804 3.859 0 40 FHAB C/C(=N\OCC(=O)Nc1ccc(C)c(Cl)c1)c1ccc2c(c1)OCCO2 13527767 VRIVMCGYTRRPMF-LPYMAVHISA-N 374.824 3.799 0 40 FHAB COc1ccc(CCc2nn3c(-c4cccs4)nnc3s2)cc1OC 13722240 VCCNTKUXSCHPKC-UHFFFAOYSA-N 372.475 3.717 0 40 FHAB Nc1c(Cl)cc(Cl)cc1C(=O)OCc1nnc(-c2ccco2)o1 14076533 JYAVCENRTYKQJR-UHFFFAOYSA-N 354.149 3.576 0 40 FHAB O=C(CCCNC(=O)c1ccc(Cl)cc1)NCc1ccc(Cl)cc1 14115186 SHUWSLYFZPQFKB-UHFFFAOYSA-N 365.260 3.820 0 40 FHAB COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(F)cc2)ccc1Cl 14397213 CIHJASNIJSTRHZ-JTQLQIEISA-N 351.761 3.672 0 40 FHAB Cc1cccc(NC(=O)COc2ccccc2/C=C2\SC(=O)NC2=N)c1 15057220 GAXRNLOXFXNHCP-YBEGLDIGSA-N 367.430 3.787 0 40 FHAB Cc1ccc(OCC(=O)NC[C@@H](c2ccc(C)o2)N2CCC(C)CC2)cc1 15860291 MUPMOJQNWLHFEJ-FQEVSTJZSA-N 370.493 3.865 0 40 FHAB Cc1cccc(OCC(=O)OCc2cc(-c3ccc4c(c3)OCO4)on2)c1 16838704 IXLHEMRPUUNSGW-UHFFFAOYSA-N 367.357 3.501 0 40 FHAB Cc1ccccc1Nc1nc([C@]2(C)C[C@]3(C[C@H](C)OC3=O)C(=O)O2)cs1 17205993 ZCVUCXZVBWBEDO-NXXSPTCGSA-N 372.446 3.679 0 40 FHAB biogenic C[C@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)N[C@H]1CCCc2ccccc21 18365875 GCIKEZXAOHSNFU-WFASDCNBSA-N 368.462 3.739 0 40 FHAB O=C(C1CCC1)N1CCC(c2nnc(-c3nccc4ccccc34)o2)CC1 19376505 GGYVLZQMBHWRIS-UHFFFAOYSA-N 362.433 3.791 0 40 FHAB O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1ccccc1)CN2Cc1cccc(F)c1F 19712596 XBNOEHWWQUCIAS-KPLVRAHFSA-N 370.443 3.992 0 40 FHAB O[C@H](CSc1cccc(Cl)c1)CN1CCN(c2ccccc2)CC1 20384917 NSNRUVWGIWQUCM-SFHVURJKSA-N 362.926 3.615 0 40 FHAB O=C(NC[C@@H](c1ccsc1)N1CCOCC1)Nc1cccc(Cl)c1 20950402 KBSJYDHFIFJSTN-INIZCTEOSA-N 365.886 3.597 0 40 FHAB COC[C@H](C)N[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 21820022 GNJNNUYVSNVKER-UGSOOPFHSA-N 362.857 3.653 0 40 FHAB CCn1cc(C(=O)N[C@@H](C)c2ccc(OC)cc2)c(=O)c2cc(C)ccc21 22234769 VWBQUKPPHKCIPI-HNNXBMFYSA-N 364.445 3.829 0 40 FHAB C[C@H](C(=O)Nc1ccccc1)N1CCN(Cc2ccc(Cl)s2)CC1 22772320 YCOADSIVEZLZPX-CQSZACIVSA-N 363.914 3.546 0 40 FHAB Cc1cccc(CN2CCN([C@@H](C)c3nnc(-c4cccs4)o3)CC2)c1 22802616 YJLMNFCFYXKAHL-INIZCTEOSA-N 368.506 3.985 0 40 FHAB COc1cccc([C@@H](c2sc3nc(C)nn3c2O)N2CCC(C)CC2)c1 23157830 LPGOIQVNJVIVSZ-INIZCTEOSA-N 372.494 3.635 0 40 FHAB Cc1ccc(C)c(OC[C@@H](O)CN2CCN(c3cccc(Cl)c3)CC2)c1 23211910 OLYGDYUGTVLLCC-FQEVSTJZSA-N 374.912 3.519 0 40 FHAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 25493504 LZICYVDUXKNANR-IFXJQAMLSA-N 370.424 3.776 0 40 FHAB O=C(Cc1noc2ccccc12)OCc1nc2ccccc2n1C(F)F 25623600 AMDHWTWXJSBHKV-UHFFFAOYSA-N 357.316 3.859 0 40 FHAB CC(C)Oc1ccc(Cc2ncc(OCc3ccccc3)c(=O)[nH]2)cc1 26953010 VHGLSAIPRIQHGT-UHFFFAOYSA-N 350.418 3.727 0 40 FHAB CC(C)CC(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2 27794799 IGENXCBRJHTKJG-UHFFFAOYSA-N 371.506 3.937 0 40 FHAB CC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccccc2OC(F)F)cc1 28844092 VWMYSFJFQXVMMB-LLVKDONJSA-N 363.364 3.686 0 40 FHAB COc1cc(OC)cc(C(=O)N(Cc2ccc3cc[nH]c3c2)C2CC2)c1 32101832 SDPSKUJSJRUTTK-UHFFFAOYSA-N 350.418 3.990 0 40 FHAB Cc1ccc([C@H](NC(=O)CCCCCNC(N)=O)c2ccccc2)cc1C 32739276 VAVRLVBTCRNZOT-OAQYLSRUSA-N 367.493 3.738 0 40 FHAB CC(C)COCCCNC(=O)NCCCCOc1ccc(Cl)cc1 32802170 YVYIPACQDLXCCS-UHFFFAOYSA-N 356.894 3.861 0 40 FHAB Cc1noc2nc(C3CC3)cc(C(=O)O[C@@H](C)C(=O)c3ccc(F)cc3)c12 32869362 FBHFCDAKWDALKO-NSHDSACASA-N 368.364 3.976 0 40 FHAB CC(=O)c1ccc(OC[C@H](O)CN[C@@H](c2ccc(C)cc2)C2CC2)cc1 32899659 BMNMWIVEBXZKOA-IRLDBZIGSA-N 353.462 3.678 0 40 FHAB COc1ccc(CN(C)C(=O)c2sccc2-n2cccc2)c(OC)c1 32903398 DRYOXGBHULEPAP-UHFFFAOYSA-N 356.447 3.828 0 40 FHAB O=C(NCCNC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccccc1 32908606 RTQVSRHGGUBGLV-UHFFFAOYSA-N 370.880 3.698 0 40 FHAB COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1OC 33653320 BJEKAGICYYTACX-UHFFFAOYSA-N 356.447 3.938 0 40 FHAB O=S(=O)(Cc1ccccc1)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 34256223 AFJMPPHRLYPGSZ-UHFFFAOYSA-N 355.341 3.524 0 40 FHAB O=C(NCc1c(F)cccc1F)c1ccc(Cn2cnc3ccccc32)o1 35597042 UJZLVUXTYTZBOO-UHFFFAOYSA-N 367.355 3.886 0 40 FHAB COc1cccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(O)c(OC)c2)c1 36365950 AZUVSTCXUGBELG-OAHLLOKOSA-N 365.389 3.719 0 40 FHAB COc1ccc(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C(C)=O)cc1 36628654 DJOBWFLSGQVYCN-UHFFFAOYSA-N 354.793 3.968 0 40 FHAB Cc1nc2sccn2c1CN1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 36740123 YUKHSZMRBPBAKK-OALUTQOASA-N 366.534 3.596 0 40 FHAB COc1cc(NC(=O)NCc2cccs2)ccc1N1CCCCC1=O 38489790 VVAJIWMRLCQGKN-UHFFFAOYSA-N 359.451 3.595 0 40 FHAB CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 38754753 NVPXYMAWPAAEBN-UHFFFAOYSA-N 366.870 3.527 0 40 FHAB CCN(CC)[C@H](CNC(=O)CCC(=O)c1cccs1)c1ccccc1 39975659 JSFNRTNJTJZAOZ-QGZVFWFLSA-N 358.507 3.910 0 40 FHAB O=C(Nc1ccc(-n2cccn2)nc1)c1cc(-c2cccc(Cl)c2)on1 40087712 RUMUDMIXXPWGMR-UHFFFAOYSA-N 365.780 3.828 0 40 FHAB Cc1ccc(C(=O)Nc2nc(O)c3oc(-c4ccc(C)cc4)nc3n2)cc1 41154982 ZCGHYTKJQHXXGU-UHFFFAOYSA-N 360.373 3.860 0 40 FHAB CC(=O)Nc1cccc(NC(=O)c2csc(NCc3ccccc3)n2)c1 44901602 OLWUMKMDPQDOLY-UHFFFAOYSA-N 366.446 3.966 0 40 FHAB Nc1c(Cl)cc(NC(=O)CCCNC(=O)c2ccsc2)cc1Cl 45621168 URYFBQNVCWDDPI-UHFFFAOYSA-N 372.277 3.786 0 40 FHAB CCc1nnsc1C(=O)NCc1ccccc1CN1C[C@@H](C)C[C@@H](C)C1 48354728 FNXYIYYADVTGJA-GASCZTMLSA-N 372.538 3.508 0 40 FHAB CNC(=O)c1ccc(Cl)c(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)c1 48502936 FXBVKCTWONLSNO-SECBINFHSA-N 367.783 3.861 0 40 FHAB Cc1cccc(NCc2nc(-c3cccs3)no2)c1C(=O)N1CCCC1 55846249 BENGXTVUAZFCTR-UHFFFAOYSA-N 368.462 3.955 0 40 FHAB COc1ccccc1C1(CNC(=O)N(C)[C@@H](C)CC(C)C)CCOCC1 58168970 HKKUNGSHGKQUMB-KRWDZBQOSA-N 362.514 3.819 0 40 FHAB CC(C)(C)OC(=O)NC(C)(C)c1noc(COc2ccccc2F)n1 58192042 ODBYQRPIZOPWTK-UHFFFAOYSA-N 351.378 3.548 0 40 FHAB CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 68605600 KKRHNJJJHIROFE-SFHVURJKSA-N 373.497 3.766 0 40 FHAB COc1cccc(OC)c1[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 72221430 KLXKHFBDICFEPD-INIZCTEOSA-N 361.463 3.538 0 40 FHAB CC(C)OCc1cccc(NC(=O)N2C[C@@H]3CN4CCCC[C@@H]4[C@@H]3C2)c1 72295065 SZUJJDHBGDYPQN-DFQSSKMNSA-N 357.498 3.560 0 40 FHAB Cc1cc(Nc2cc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nc(C)n2)[nH]n1 72360835 HWOOULQAXDYAJH-CQSZACIVSA-N 372.473 3.675 0 40 FHAB Cc1nnsc1-c1nnc2sc(-c3cccc(C(F)(F)F)c3)nn12 72404156 MUSGBTRFUQUNSV-UHFFFAOYSA-N 368.369 3.699 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1-c1nn2c(C(C)C)nnc2s1 79490565 HPVCEEPPVUDFRH-UHFFFAOYSA-N 352.467 3.838 0 40 FHAB COc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)cc1 89661635 UOGQJDJJWKMLLI-SFHVURJKSA-N 370.449 3.770 0 40 FHAB O=C(C[C@@H]1OCCc2ccsc21)NCCNc1nc2ccccc2s1 89878630 NLMZAFBGYJUCKO-AWEZNQCLSA-N 373.503 3.590 0 40 FHAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1ccccc1Sc1nccn1C 95393859 NYVHTVIXMOYXJU-GFCCVEGCSA-N 369.494 3.664 0 40 FHAB Cc1ccc(-c2noc(-c3cccc(NC(=O)[C@@H]4CCCO4)c3)n2)cc1F 95955922 NOABGRSKUMLDPN-KRWDZBQOSA-N 367.380 3.969 0 40 FHAB CNC(=O)C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 96052581 GZWRRZOWKBNNGM-GOSISDBHSA-N 366.480 3.983 0 40 FHAB Cc1cccc(C(=O)N2CCC3(CCOC[C@H]3COCC3CC3)CC2)c1 96106487 QHNNYBNAOCITEE-FQEVSTJZSA-N 357.494 3.681 0 40 FHAB COc1ccc(-c2nc(-c3noc4ccc(C(=O)N(C)C)cc34)co2)cc1 96154280 LFEWKSRSGALAMM-UHFFFAOYSA-N 363.373 3.860 0 40 FHAB O=C(Cn1nc2c3c(cccc31)C(=O)c1ccccc1-2)NCc1ccccc1 96191882 SGTAVPPUWGJVKN-UHFFFAOYSA-N 367.408 3.564 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1ccccc1OC 96231798 OONJOAWUUIBBPO-GOSISDBHSA-N 350.418 3.993 0 40 FHAB CC(C)[C@@H](NC(=O)COc1cccc(N2CCCC2=O)c1)c1ccccc1 96402256 IKFBFTHGEXDLSL-JOCHJYFZSA-N 366.461 3.706 0 40 FHAB CC(C)(C)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C(=O)Nc1ccc(F)cc1 100426580 FQSYCUVEBMMXKF-IAGOWNOFSA-N 361.461 3.905 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)C2CCN(c3ccc(C)cc3)CC2)c1 219853789 GNOXSLYCLQCTQG-UHFFFAOYSA-N 366.461 3.945 0 40 FHAB Cc1cc(C)cc(O[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1 222718515 VSZNMDVHGOHSGW-HZPDHXFCSA-N 355.434 3.719 0 40 FHAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1C 222994825 AIUPAVBECQYSTK-LJQANCHMSA-N 366.505 3.871 0 40 FHAB Cc1cccc(CS(=O)(=O)NCCOc2ccc3ccccc3c2)c1 223610691 PCWRACNMFQXGMT-UHFFFAOYSA-N 355.459 3.647 0 40 FHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1 224974444 OOEPVTITDBWUIL-ROUUACIJSA-N 352.478 3.561 0 40 FHAB COc1ccc(OC)c(C[C@@H](Oc2ccc(Cl)c(C)c2)C(=O)O)c1 225115113 VRKWPRBBTOCSMS-QGZVFWFLSA-N 350.798 3.740 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(SC(C)C)s1 225289269 VEGRIPPLPHRJGJ-LBPRGKRZSA-N 355.460 3.974 0 40 FHAB Cc1ccc(NC(=S)NCc2ccc(CN3CCCC3=O)cc2)cc1 225647886 COUSQAUBBRZANT-UHFFFAOYSA-N 353.491 3.604 0 40 FHAB COc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)c(N)c2)cc1OC 226268428 FURFKZPVBRYAFY-AWEZNQCLSA-N 369.465 3.917 0 40 FHAB Cc1ccccc1C(=O)NC(=S)Nc1cc(/C=C/C(=O)O)ccc1Cl 226356943 NKCKPTJFWIZHPE-VQHVLOKHSA-N 374.849 3.873 0 40 FHAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)C1CCN(Cc2ccc(Cl)cc2F)CC1 260801632 IZFVSTLWSVWYOC-ZUEVXXBESA-N 364.892 3.996 0 40 FHAB CC(C)Oc1ccc(CNC(=O)C(=O)NC2CCC(C(C)(C)C)CC2)cc1 408710267 VKINVLUMZVSNHB-UHFFFAOYSA-N 374.525 3.811 0 40 FHAB C/C(=C/c1ccccc1)C(=O)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575617033 MQKCZNPJLBMQHQ-RBAUTDOXSA-N 373.456 3.664 0 40 FHAB CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)Nc1ccc(N(C)C(C)=O)cc1 678462650 KENQACUNFVPBPS-YJYMSZOUSA-N 373.428 3.706 0 40 FHAB C[C@@H](C(=O)O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 685939974 OSUNOLNZLUSNAD-ZDUSSCGKSA-N 351.402 3.778 0 40 FHAB O=C(CSc1ccc(F)cc1)NCC1(c2ccsc2)CCOCC1 952990293 XUXKZTRELIOOTN-UHFFFAOYSA-N 365.495 3.844 0 40 FHAB C[C@]1(C(=O)N2CCC3(CC2)CN(Cc2cccs2)CCO3)CC=CCC1 1614936635 FGAHUHFGGPXSMJ-FQEVSTJZSA-N 374.550 3.688 0 40 FHAB CC1(C)C[C@@H]2CN(C(=O)Cc3cccnc3)CC[C@@H]2N1c1ccc(F)cc1 1615155285 GXKRWQLCVQGHNE-XLIONFOSSA-N 367.468 3.669 0 40 FHAB Brc1cnc2n1C[C@@H](NCc1ccc3ccccc3c1)CC2 1621102653 UHNONMPBHQJYFD-INIZCTEOSA-N 356.267 3.903 0 40 FHAB COC1(C)CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CC[C@@H](C)C2)C1 1697217259 STZABGUHEIMPGU-WBVHZDCISA-N 372.488 3.669 0 40 FHAB Cc1ccc(CN2CCC(Oc3nccc(C(F)(F)F)n3)CC2)cc1 1775975256 DYSNEHQNVJTTOX-UHFFFAOYSA-N 351.372 3.847 0 40 FHAB CC(C)NC(=O)C1(Nc2cccc(F)c2)CCN(Cc2ccccc2)CC1 2055745639 PTWCQXCULQWRCS-UHFFFAOYSA-N 369.484 3.797 0 40 FHAB O=C(CNC(=O)c1ccccc1)Oc1c(Cl)cc(Cl)cc1Cl 712531 KUCNYKGQMPPUTC-UHFFFAOYSA-N 358.608 3.982 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1 53086200 MRVKNFYUCRKATI-HNNXBMFYSA-N 371.868 3.602 0 40 FHAB O=C(O)[C@H]1CCCN1c1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 12357720 AVKPJZHXEUIJAH-GFCCVEGCSA-N 371.746 3.869 0 40 FHAB O=C1C(Cl)=C(Nc2cccc(Cl)c2)C(=O)N1CCc1ccccc1 955251 UJNKNMBAMUFOOM-UHFFFAOYSA-N 361.228 3.814 0 40 FHAB COC(OC)[C@H]1Nc2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 1068859 VZNNJSKYDOXRCU-HNNXBMFYSA-N 366.339 3.723 0 40 FHAB Cc1cc(-c2cccc(F)c2)nnc1NCc1ccc(-n2ccnc2)nc1 76061527 ZWASLSWRVNUPPK-UHFFFAOYSA-N 360.396 3.784 0 40 FHAB CC(=O)c1cccc(NC(=O)N2CCC[C@H]2C(=O)Nc2cccc(F)c2)c1 1343605 BQMKLIVAPVCJSR-SFHVURJKSA-N 369.396 3.663 0 40 FHAB CCc1ccc(NC(=S)N2CCN(c3cccc(OC)c3)CC2)cc1 1351046 IZFZPHXRJBSBPW-UHFFFAOYSA-N 355.507 3.777 0 40 FHAB CC(C)CC(=O)NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1 724390 SQOOXLMTONEGEV-UHFFFAOYSA-N 355.463 3.798 0 40 FHAB CCOc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(C)cc2)cc1 789040 WXPQMGUTBONUMI-SFHVURJKSA-N 363.504 3.830 0 40 FHAB CCCCN(c1ccc(Br)cc1)c1nc(N)nc(N)c1N=O 4707910 NHLYAVPXLCJHTE-UHFFFAOYSA-N 365.235 3.740 0 40 FHAB O=C(NCc1ccc(F)cc1)[C@H]1CCCN(c2nc3ccccc3s2)C1 4967862 GKOHIRBOXRDQIU-HNNXBMFYSA-N 369.465 3.968 0 40 FHAB Cc1ccc(C)c(NC(=O)CSc2nnc(COc3ccccc3)[nH]2)c1 6473062 BRUVEUIZHQGQAO-UHFFFAOYSA-N 368.462 3.731 0 40 FHAB CCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC(C)C 6879726 YYQDOYSGEPSYBX-UHFFFAOYSA-N 366.918 3.873 0 40 FHAB COc1ccc([C@H]2CCCN2CC(=O)Nc2ccc(C)cc2)c(OC)c1 7719577 IGCXHGGOHWUUCV-LJQANCHMSA-N 354.450 3.788 0 40 FHAB CCc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 7724214 ROHUKNSHWDTEKY-CQSZACIVSA-N 372.852 3.903 0 40 FHAB CC(=O)N1CCN2C(=O)[C@@H]1CCCC(=O)c1cc(C3CCCCC3)ccc12 850527 CQIZASIYJPTXSH-FQEVSTJZSA-N 368.477 3.665 0 40 FHAB biogenic CCO[C@H](c1ccc(Br)cc1)[C@@H](NC)C(=O)c1ccccc1 61868584 HXBYRMFPYAGPJO-FUHWJXTLSA-N 362.267 3.998 0 40 FHAB CCc1ccc(-c2csc(NC(=O)C(=O)c3c(C)nn(C)c3C)n2)s1 8944498 FUAQDJSFVJIFLU-UHFFFAOYSA-N 374.491 3.606 0 40 FHAB CC(C)c1ccc(CN(C)CN2C(=O)NC3(CCCCCC3)C2=O)cc1 23641335 PZJLUAGUDPQZIN-UHFFFAOYSA-N 357.498 3.844 0 40 FHAB C[C@H](NC(=O)c1cccc(-n2cccc2)c1)c1ccc(-n2cncn2)cc1 12549320 QVZMBVCGTIWKOC-INIZCTEOSA-N 357.417 3.549 0 40 FHAB CCN1CCc2nc(NC(=O)c3cc(F)c(F)cc3Cl)sc2C1 25156711 KDQJYEGHFVYYEB-UHFFFAOYSA-N 357.813 3.705 0 40 FHAB COC(=O)CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1 59364912 SILDGQZEJVVDEK-UHFFFAOYSA-N 358.444 3.814 0 40 FHAB CC(=O)N[C@@H](C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)C 26913524 ANPMZRQJQPGSSS-GFCCVEGCSA-N 370.293 3.823 0 40 FHAB COc1ccc(CCC(=O)N[C@@H](C)COc2ccccc2C)cc1OC 55693500 GTZZLEAXYBEFRR-INIZCTEOSA-N 357.450 3.529 0 40 FHAB C[C@H](NC(=O)N(C)Cc1cc(Br)ccc1F)c1ccccn1 58291536 QILNUQBJSKODES-NSHDSACASA-N 366.234 3.886 0 40 FHAB Cc1c(C(=O)N[C@H](C)c2nc(-c3ccccc3)c[nH]2)[nH]c2c1C(=O)CCC2 58280987 KQCDPQIGYMDRRL-CYBMUJFWSA-N 362.433 3.723 0 40 FHAB CCN(CC)C(=O)CCCCCCCCN1C(=O)c2ccccc2C1=O 2319673 CKBGJSHXPJJGLJ-UHFFFAOYSA-N 358.482 3.882 0 40 FHAB COc1cc2c(cc1OC)CN(c1ncnc3c1[nH]c1cc(C)ccc13)CC2 2416948 GPYWNHHHYNFDHR-UHFFFAOYSA-N 374.444 3.999 0 40 FHAB biogenic CCc1ccc(CC)c(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c1 12892052 MUMQTKXBMZRBSD-UHFFFAOYSA-N 354.381 3.650 0 40 FHAB C[C@H](Oc1ccccc1C(N)=O)C(=O)Nc1ccc(SC(F)F)cc1 12859266 VCYDKHKCLFROPU-JTQLQIEISA-N 366.389 3.506 0 40 FHAB COc1ccc(-c2nnc(SCc3nc(C(C)C)no3)o2)c(OC)c1 29142257 SFKSMQPURKUJKT-UHFFFAOYSA-N 362.411 3.553 0 40 FHAB Cc1cc(C)c2c(-c3ccccc3)nc(SCCN3CCOC3=O)n2n1 29390666 USLBHCGJJMFFDH-UHFFFAOYSA-N 368.462 3.557 0 40 FHAB COC(=O)c1ccc(NC(=O)Cc2csc(-c3ccccc3F)n2)cc1 11867515 UTCOHYQXHMPSOO-UHFFFAOYSA-N 370.405 3.917 0 40 FHAB CN(CC(=O)Nc1ccccc1Br)Cc1ccc(F)cc1 3588380 YUMHDXDYJWUBDP-UHFFFAOYSA-N 351.219 3.659 0 40 FHAB O=C(CSc1nncn1-c1ccccc1)Nc1ccc(Cl)cc1F 3544138 YOJSWUPYAKUWFG-UHFFFAOYSA-N 362.817 3.791 0 40 FHAB Cc1cc(C(=O)O)ccc1NC(=S)NC(=O)c1cccc2ccccc12 20152216 MOLBTSHMWXJBPM-UHFFFAOYSA-N 364.426 3.973 0 40 FHAB Cc1ccc(-c2nc(CSc3nncn3Cc3ccco3)no2)cc1 12903970 OQDACGHDKZZGKK-UHFFFAOYSA-N 353.407 3.570 0 40 FHAB CC(C)c1csc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)n1 12947019 NIJPWTSEWMGRAH-LBPRGKRZSA-N 363.508 3.819 0 40 FHAB O=C(O)Cc1csc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1 12941103 XQXBNQHDVYPCJK-UHFFFAOYSA-N 364.854 3.874 0 40 FHAB CCC[C@H](NC(=O)[C@H](C)NCCOc1ccccc1F)c1ccccc1 49581038 NEYHJMQJMKWEME-LPHOPBHVSA-N 358.457 3.840 0 40 FHAB C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2cccc(NC(=O)C3CC3)c2)C1 64725757 PYMXNNIMDSDOCG-GQIGUUNPSA-N 369.509 3.513 0 40 FHAB CCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccc(OC)cc1 5024732 VJPAOTIOVYRJNO-UHFFFAOYSA-N 350.418 3.788 0 40 FHAB O=S(=O)(c1ccc(F)c(F)c1F)N(C1CC1)[C@H]1CCc2ccccc21 64949360 GGMNOLATIYPJCZ-HNNXBMFYSA-N 367.392 3.945 0 40 FHAB O=C(CSc1nncn1-c1ccccc1F)NCCC1=CCCCC1 6129100 QNQUYDUDNLQPDJ-UHFFFAOYSA-N 360.458 3.505 0 40 FHAB O=c1onc(-c2cccs2)n1CCOc1c(Cl)cccc1Cl 65540820 UEPJKNGLTGVILE-UHFFFAOYSA-N 357.218 3.951 0 40 FHAB Oc1ccc(C2CCN(C[C@H](O)COc3ccc(Cl)cc3)CC2)cc1 14180142 ZVJWMEVJRCJXDK-IBGZPJMESA-N 361.869 3.665 0 40 FHAB Cc1ccc(N2CCN(CC(=O)Nc3c(C)cccc3C)C[C@@H]2C)cc1 14216290 RIXNZRQHRBEHOS-IBGZPJMESA-N 351.494 3.761 0 40 FHAB CCN(CC)CCNC(=O)c1ccccc1NC(=O)Nc1cccc(F)c1 5470997 OGGIZVKNPKQNIK-UHFFFAOYSA-N 372.444 3.541 0 40 FHAB CCOc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(C)c(F)c2)C(C)C)cc1 6509167 TVMIGBVGLPRBPR-IBGZPJMESA-N 372.440 3.926 0 40 FHAB COc1ccc([C@@H](CNC(=O)Cc2ccsc2)N2CCCCC2)cc1 5937454 YRXXOSIWTBDQMJ-LJQANCHMSA-N 358.507 3.643 0 40 FHAB COc1ccc(-c2nn(-c3ccccc3)cc2NC(=S)NC2CC2)cc1 5955619 BWNRLGSSWDWTFC-UHFFFAOYSA-N 364.474 3.997 0 40 FHAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H]1CC(=O)N(C2CCCC2)C1 7399333 VKVNMIXAUWAKAN-SNVBAGLBSA-N 363.870 3.679 0 40 FHAB CCOc1ccc(CN(C)[C@@H](C)c2nc3ccccc3c(=O)[nH]2)cc1OC 7487523 OZNPSHPTTGHYIL-AWEZNQCLSA-N 367.449 3.523 0 40 FHAB CC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 7505235 RWTMZGSAVBWKJM-UHFFFAOYSA-N 359.325 3.589 0 40 FHAB COc1cc(OC)c(NC(=O)COC(=O)c2sccc2C)cc1Cl 9654098 GHZCRATZHSFWEA-UHFFFAOYSA-N 369.826 3.523 0 40 FHAB COc1ccccc1CCNS(=O)(=O)c1cc(Cl)cc(Cl)c1 16090821 VWEUPTBDWXJVDZ-UHFFFAOYSA-N 360.262 3.523 0 40 FHAB CCN(Cc1ccc(OC)c(F)c1)[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 8214205 XMJSHMHYQBNGQK-CQSZACIVSA-N 372.440 3.886 0 40 FHAB O=C(Nc1ccc(-c2csnn2)cc1)C1(c2ccccc2)CCOCC1 70008894 RWRFWBYOLBZZFZ-UHFFFAOYSA-N 365.458 3.892 0 40 FHAB COc1ccc(CNC(=O)Nc2nc3ccc(F)cc3s2)cc1OC 8328355 UWELDSMOSDEOIG-UHFFFAOYSA-N 361.398 3.774 0 40 FHAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)CC1=O 8378026 MGCVABPCQRKBOU-KRWDZBQOSA-N 364.445 3.566 0 40 FHAB C[C@H](NC(=O)c1cn2c3c(cccc3c1=O)CCC2)c1ccc(F)cc1 22606040 ZCALHMUPDZHILX-ZDUSSCGKSA-N 350.393 3.578 0 40 FHAB COC(=O)c1cc(CNC(=O)c2oc3ccc(F)cc3c2C)ccc1OC 18061562 FXSXNRBFFQHQEC-UHFFFAOYSA-N 371.364 3.606 0 40 FHAB Cc1cc(C)cc(NC(=O)CSc2nc(O)c3c(C)cc(C)nc3n2)c1 18118760 XCCIFGGLOSLXJY-UHFFFAOYSA-N 368.462 3.695 0 40 FHAB COc1ccc(-c2nc(CC(=O)N[C@H](C)c3ccco3)cs2)cc1OC 8761885 IECDZZXGQSWAOF-GFCCVEGCSA-N 372.446 3.840 0 40 FHAB Clc1ccc(OCCn2nnc3ccccc32)c(Br)c1 8735619 MJDYSDHCCHLZOR-UHFFFAOYSA-N 352.619 3.926 0 40 FHAB Cc1occc1-c1nnc(S[C@@H]2C[C@H](C)OC2=O)n1Cc1ccccc1 9722120 MVVRBMGUJZZIMK-BLLLJJGKSA-N 369.446 3.691 0 40 FHAB CC[C@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OC)cc2OC)C1=O 409009606 GUOIYDSOWPHFGW-CYANDVJASA-N 351.424 3.547 0 40 FHAB C[C@H]1CN(C(=S)Nc2ccc3c(c2)OCCO3)C[C@H](c2ccccc2)O1 84714148 YVSDJTZSELYYCG-IFXJQAMLSA-N 370.474 3.617 0 40 FHAB Cc1ccc([C@@H]2CCC[C@@H]2OC(=O)C2CCN(c3cnccn3)CC2)cc1 95963145 KQHBLNZXJKMEJZ-PMACEKPBSA-N 365.477 3.881 0 40 FHAB O=C(CCC(=O)c1ccccc1)NCc1ccc(OCC(F)(F)F)cc1 23509870 AYXWRFHRUCDRMI-UHFFFAOYSA-N 365.351 3.907 0 40 FHAB CC(C)(C)c1cc(Cl)c(O)c(NC(=O)c2cccc(-n3cnnc3)n2)c1 21157384 JPGPQUZUDQVUNA-UHFFFAOYSA-N 371.828 3.571 0 40 FHAB Cc1cccc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)n1 409315540 JDAJEEVACKFRGR-CXUHLZMHSA-N 372.833 3.963 0 40 FHAB CC[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2C)C1)C(=O)c1ccccc1 408653000 PKUAHWMSJREIEE-PKOBYXMFSA-N 365.429 3.553 0 40 FHAB CCC(CC)(Cc1nc2ccccc2s1)C(=O)NCc1ccnn1C 24650532 UGSKCRLBQAZYOE-UHFFFAOYSA-N 356.495 3.695 0 40 FHAB Cc1cccc(C(=O)NCCCCN2CCO[C@H](c3ccccc3)C2)c1 36700105 IZUVUQSGOACEDU-NRFANRHFSA-N 352.478 3.579 0 40 FHAB Cc1ccc([C@H](c2sc3ncnn3c2O)N2C[C@@H](C)C[C@H](C)C2)cc1 33688590 QSFMLTRNMJEJIR-OFQRWUPVSA-N 356.495 3.872 0 40 FHAB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C)o3)C2=O)c1 409327653 VPSYXOFNIWEDFU-CXUHLZMHSA-N 370.430 3.880 0 40 FHAB CC1(C)O[C@](C)(C(O)(c2ccccc2)c2ccccc2)CC[C@@H]1C(=O)O 3845818 AVAHQCHXGWDAEX-NQIIRXRSSA-N 354.446 3.971 0 40 FHAB biogenic CCOc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccc(Cl)cc2Cl)cc1 72228106 XNTCZJARRKATKW-JKSUJKDBSA-N 351.233 3.807 0 40 FHAB O=C(NCc1cc(F)cc2c1OCOC2)[C@H]1CC[C@H]1c1ccc(F)cc1 528361790 AVWWVZVFBOBWPI-ROUUACIJSA-N 359.372 3.641 0 40 FHAB Cc1cccc(Cn2nc(C)c(NS(=O)(=O)c3ccccc3F)c2C)c1 39971267 IJBKBWGPANZOFH-UHFFFAOYSA-N 373.453 3.797 0 40 FHAB Cc1cccc(CCCNC(=O)COc2ccc(Br)cc2)c1 218816478 NGAZZTWFPBPROF-UHFFFAOYSA-N 362.267 3.885 0 40 FHAB CN(C)CC(=O)N1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1 72358172 SOZGZTHCARPPQY-LJQANCHMSA-N 357.885 3.551 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)NCCCc1ccc(OC(C)C)cc1 219498305 DOVAVYHNPBEJTI-QGZVFWFLSA-N 371.477 3.999 0 40 FHAB CCc1nc([C@@H](C)NC(=O)N2CC[C@]3(C2)OCc2ccccc23)cs1 185703297 NEXULXPQNHVVQZ-BFUOFWGJSA-N 357.479 3.608 0 40 FHAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@@H]3c2cccc(O)c2)c1 44916795 ZOKMGQALWCBWQC-OAHLLOKOSA-N 365.389 3.719 0 40 FHAB CCCCc1ccc(C[C@@H](C(=O)O)N2CCN(c3ccccc3)CC2)cc1 225150165 NJVZIFRJWSSYOY-QFIPXVFZSA-N 366.505 3.847 0 40 FHAB CC(C)(C)CNC(=O)CCc1nc(-c2ccc(Br)cc2)no1 225821336 MNLBZLZUZUVJBG-UHFFFAOYSA-N 366.259 3.594 0 40 FHAB Cc1cccc(CS(=O)(=O)NCCOc2cccc3ccccc23)c1 223539991 FTUNZWQUHFJWRG-UHFFFAOYSA-N 355.459 3.647 0 40 FHAB Brc1ccc2c(Br)c(OC3CNC3)ccc2c1 42769551 BGGSBCLNPCJKGD-UHFFFAOYSA-N 357.045 3.715 0 40 FHAB Cc1cc(C)cc(OCCNS(=O)(=O)Cc2c(F)cccc2Cl)c1 224082385 RNNLWMZUOJWGOY-UHFFFAOYSA-N 371.861 3.594 0 40 FHAB CCOCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cn1 225884888 HWVZQHISLGABTJ-UHFFFAOYSA-N 366.502 3.913 0 40 FHAB Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)N1C[C@@H](C)O[C@H](C)C1 47716999 AHRQFUQXEORHNM-HZPDHXFCSA-N 373.497 3.699 0 40 FHAB CCCOC(=O)c1ccc(NC(=O)N(C)Cc2ccc(OC)cc2)cc1 48020480 DNMPENWQESSESU-UHFFFAOYSA-N 356.422 3.926 0 40 FHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1cccc(OC)c1 224452427 JKXDUTJNPYVXFS-FQEVSTJZSA-N 357.450 3.665 0 40 FHAB COC(=O)c1ccc(F)c(NC(=O)N2CCC[C@H]2c2cccc(OC)c2)c1 48109828 XWOVEFBIWFOEEG-SFHVURJKSA-N 372.396 3.990 0 40 FHAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CC 224153230 OZXKURLXFIMWDL-OAQYLSRUSA-N 366.505 3.871 0 40 FHAB O=S(=O)(NC[C@@H](O)c1csc2ccccc12)c1ccc(Cl)s1 225695878 ATKUHZPACSYJKC-LLVKDONJSA-N 373.908 3.628 0 40 FHAB Cc1ncoc1C(=O)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257297526 RHQSPWXJUWTNCT-OAHLLOKOSA-N 369.396 3.721 0 40 FHAB C[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[C@H](c2ncncc2-c2ccccn2)CC1 257331095 XRILZVPAHAXQEN-QBPKDAKJSA-N 350.466 3.585 0 40 FHAB CCc1ccccc1-n1nc(C(=O)O)c(N2CC[C@@H](c3ccccc3)C2)n1 256046420 FTTJZEVGUSPQLF-QGZVFWFLSA-N 362.433 3.522 0 40 FHAB COc1cccc(OC(F)(F)F)c1NC(=O)N1CC(C(F)(F)F)C1 640702226 IZKILFWKCRZHRN-UHFFFAOYSA-N 358.238 3.620 0 40 FHAB Cc1oc2ccccc2c1CNc1ccc(N2CC[C@@H](N(C)C)C2)cn1 1178232288 PEDVUWBMGKJYBJ-QGZVFWFLSA-N 350.466 3.889 0 40 FHAB O=C(Nc1ccc(-c2ccn[nH]2)cc1)[C@H]1CCCN1c1nc2ccccc2o1 96122593 MZMGCNSKEYWUDB-GOSISDBHSA-N 373.416 3.825 0 40 FHAB Cc1cc(-c2cccnc2)nn1CCNC(=O)Nc1ccccc1Cl 390827462 YETOSFKWRMEDJZ-UHFFFAOYSA-N 355.829 3.729 0 40 FHAB CC(=O)N1CC[C@H](NCc2ccc(F)cc2F)[C@H](Cc2ccccc2)C1 585286489 RSGUZMBBRNDXIQ-NQIIRXRSSA-N 358.432 3.534 0 40 FHAB Cc1nn(C)c(C)c1/C=C/C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 55720361 IWIXZYPYQCZNFL-VOTSOKGWSA-N 360.408 3.567 0 40 FHAB O=C(Nc1cccc(OCC(F)(F)F)c1)N1CCCC[C@@H]1c1nc[nH]n1 95468900 KNTPRDWCOGJXPO-CYBMUJFWSA-N 369.347 3.505 0 40 FHAB COc1ccc(-c2[nH]nc(C)c2-c2cccc3c2OCCCO3)c(O)c1 5640359 JUDBIMCGLUZBJL-UHFFFAOYSA-N 352.390 3.928 0 40 FHAB CCc1c(C)sc2nc(C(C)C)n3c(=O)n(Cc4cccnc4)nc3c12 12117635 WPBVJLHFYJIVHW-UHFFFAOYSA-N 367.478 3.543 0 40 FHAB CC[C@@H](NC(=O)Cn1c(=O)oc2cc(Cl)ccc21)c1ccc(F)cc1 12199934 LRXOYPVPOJTRMM-CQSZACIVSA-N 362.788 3.655 0 40 FHAB Cc1cc(C)n(CCCC(=O)N2CCc3c([nH]c4ccc(Cl)cc34)C2)n1 12290170 GMNXEZPLVXLNRS-UHFFFAOYSA-N 370.884 4.000 0 40 FHAB COc1cccc(CN2CCC(c3noc(-c4ccncc4)n3)CC2)c1 12329722 PWCOBIWVGDFXSX-UHFFFAOYSA-N 350.422 3.520 0 40 FHAB Cc1occc1-c1cc2nc3c(c(O)n2n1)CN(Cc1ccsc1)CC3 12667148 OSIOPLHTJNRJDE-UHFFFAOYSA-N 366.446 3.623 0 40 FHAB Cc1cccnc1[C@@]1(O)CC[C@@H]2CN(Cc3cccc(OC(C)C)c3)C[C@@H]21 19237868 VIMAFIYEESHZQZ-UNWVZKJWSA-N 366.505 3.907 0 40 FHAB Cc1c(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)cnn1C 659232984 SBSOADVBKHCRFE-INIZCTEOSA-N 362.271 3.689 0 40 FHAB Nc1cc(Cl)ccc1C(=O)OCC(=O)c1ccc(Br)s1 2634364 HGGDHQVOWMFXAN-UHFFFAOYSA-N 374.643 3.786 0 40 FHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NC1CCCCCCC1 6224207 AMUPOHUGHOUYEN-UHFFFAOYSA-N 364.795 3.750 0 40 FHAB Cc1cccc(OCCCNC(=O)c2cccnc2SC(F)F)c1 12397713 FLIZBGLZBWMYBP-UHFFFAOYSA-N 352.406 3.904 0 40 FHAB O=C(c1cc2c(nn1)CCCC2)N1CCC[C@H](c2nc3ccccc3o2)C1 1888913801 CZDLSFGVZHCORS-HNNXBMFYSA-N 362.433 3.516 0 40 FHAB FC(F)(F)c1cccc(OC[C@@H]2CCN(c3ccnc(C4CC4)n3)C2)n1 1889108919 DWYHNOIYKGUEEZ-GFCCVEGCSA-N 364.371 3.673 0 40 FHAB CSc1ccc(CN(C)CCS(=O)(=O)c2ccc(Cl)cc2)cc1 21324496 DDOCGLLKOLCHSB-UHFFFAOYSA-N 369.939 3.968 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)C2CCC(C)CC2)c(Br)c1 32770685 ATCSTWQMYYURKE-UHFFFAOYSA-N 360.317 3.957 0 40 FHAB O=C(CCSc1ccccc1)NCCn1cc(-c2ccccc2)cn1 253472146 JULPYVAMXZFEMB-UHFFFAOYSA-N 351.475 3.849 0 40 FHAB COc1cc([C@H]2CC(=O)Nc3c2ccc2ccccc32)ccc1OCCO 4150885 JGYXSPOYRSZISO-GOSISDBHSA-N 363.413 3.694 0 40 FHAB O=C(CSc1nccn1Cc1ccccc1)Nc1ccc(F)cc1F 7391534 UAJQXRLPBCYTNH-UHFFFAOYSA-N 359.401 3.940 0 40 FHAB COc1cccc(CN2CCC3(CC[C@@H](CN(C)C(C)C)OC3)CC2)c1 2055835445 JOWDIARTJLYKQW-NRFANRHFSA-N 360.542 3.797 0 40 FHAB CCCN1CCCc2cc(CCNC(=O)COc3ccccc3C)ccc21 35588092 VKOVOBXTXQZQBT-UHFFFAOYSA-N 366.505 3.895 0 40 FHAB CC(C)Sc1ccc(CC(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1 38568637 XYQYLFGEFXWBNM-QGZVFWFLSA-N 363.523 3.922 0 40 FHAB CN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc(Cl)cc4)ccc1c23 11691580 RKUQTICTHLNUAX-UHFFFAOYSA-N 372.833 3.884 0 40 FHAB CCN(Cc1ccccc1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 40094964 CFFYIQNOJWGGMN-UHFFFAOYSA-N 364.449 3.538 0 40 FHAB COC(=O)/C(=C/Nc1ccccc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 100025781 JBOIFYABAVGJRS-JXAWBTAJSA-N 373.474 3.884 0 40 FHAB O=C(CCCOc1ccccc1)Nc1cccc(OCCn2cccn2)c1 40134871 WKNRRNWYVPMTLQ-UHFFFAOYSA-N 365.433 3.760 0 40 FHAB CCOCCCC(=O)Nc1ccc(Br)cc1Br 40128593 DNSASTJJXLJHMB-UHFFFAOYSA-N 365.065 3.967 0 40 FHAB CCN(C(=O)CS(=O)(=O)Cc1ccc(C(C)(C)C)cc1)c1ccccc1 40106044 XGYCLYAMPGLBJC-UHFFFAOYSA-N 373.518 3.952 0 40 FHAB C[C@@H](C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1)n1cnc2ccccc21 31813620 UOXZDLUXBYVAJS-CVEARBPZSA-N 359.433 3.660 0 40 FHAB CS(=O)(=O)c1ccc(C(=O)N[C@H](c2cccs2)C2CCCC2)cc1 31805188 BEVDQNBZSNHRFU-KRWDZBQOSA-N 363.504 3.813 0 40 FHAB Cc1ccc(-n2ncc3c2N=C(O)C[C@@]32C(=O)Nc3ccccc32)c(C)c1 20719509 JUVMHVUTHAGKFC-NRFANRHFSA-N 358.401 3.719 0 40 FHAB COc1c(C)cnc(CNC(=O)N2CCCCC[C@@H]2c2ccncc2)c1C 51755597 QQHCVBIPMOLNAN-LJQANCHMSA-N 368.481 3.929 0 40 FHAB Cc1nc(NC(=O)c2cc(Cl)c[nH]2)sc1-c1nccn1C(F)F 32899777 JIWHWEKFXHYUAF-UHFFFAOYSA-N 357.773 3.944 0 40 FHAB Cc1cc(NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)ccc1F 103025289 AMKYLHVKYJQEJF-UHFFFAOYSA-N 368.452 3.944 0 40 FHAB CCOC(=O)c1cc2sccc2n1CC(=O)c1ccc2c(c1)OCCO2 1338149 CSCXJQBZFVHUER-UHFFFAOYSA-N 371.414 3.534 0 40 FHAB O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)NC1CCCCCC1 3271104 HLKCBSYFMUPNJH-UHFFFAOYSA-N 365.857 3.685 0 40 FHAB O=C(O)CC[C@H](CNC(=O)c1ccc(Cl)c(Cl)c1)C(F)(F)F 3359236 PYVVBJHYOSPZLP-MRVPVSSYSA-N 358.143 3.767 0 40 FHAB CCOc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(C)cc2)cc1 789043 WXPQMGUTBONUMI-GOSISDBHSA-N 363.504 3.830 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 4832564 JLZMMWIPWOVZKD-CQSZACIVSA-N 356.809 3.534 0 40 FHAB CC(C)(C)NC(=O)CN(C(=O)c1ccco1)c1cccc(C(F)(F)F)c1 4933856 DFGNYTHLLGWCTM-UHFFFAOYSA-N 368.355 3.860 0 40 FHAB Cc1ccc([C@H]2C=C(c3ccc(F)cc3)Nc3nc(CCCO)nn32)cc1 100706923 KFPNODHIKCHTFU-LJQANCHMSA-N 364.424 3.707 0 40 FHAB CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccccc1 903480 WPGQNIXXCIXWRF-UHFFFAOYSA-N 368.462 3.608 0 40 FHAB O=C(c1ccc(Br)o1)N1CCC([C@H](O)c2ccccc2)CC1 23384171 BRHZIDBDNUIUBU-MRXNPFEDSA-N 364.239 3.628 0 40 FHAB Cc1cccc(N(CCCC(=O)Nc2cc(C)ccc2C)S(C)(=O)=O)c1 8480943 AZOXEOIUMVHGFU-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB COc1ccc(S(=O)(=O)NCc2ccccc2C)c(Cl)c1Cl 8571094 YXLYJGNEBNMQDO-UHFFFAOYSA-N 360.262 3.789 0 40 FHAB COc1cccc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)c1OC 23510147 XKPJRWPIQGAWQZ-UHFFFAOYSA-N 369.339 3.575 0 40 FHAB Cc1ccc(SCC(=O)OCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 9213296 JXPSUUBDOKEMID-AWEZNQCLSA-N 361.438 3.647 0 40 FHAB CS(=O)(=O)c1cnc(-c2ccccc2)nc1Oc1ccc(Cl)cc1 1402546 VJTHEQZFZWCTPV-UHFFFAOYSA-N 360.822 3.993 0 40 FHAB O=C(Nc1nc2c(s1)CCCCCC2)c1cc2ccccc2c(=O)[nH]1 56236542 MMYUOSKXBPXJSF-UHFFFAOYSA-N 353.447 3.896 0 40 FHAB COc1ccc(OC)c(CNC(=O)CSCc2ccc(Cl)s2)c1 26375281 KYTWYXMOKAKRHA-UHFFFAOYSA-N 371.911 3.968 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2cccc(C)c2)cc1 26311241 AZDZLRBJHHVDPW-QGZVFWFLSA-N 360.523 3.876 0 40 FHAB CCOc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3OC)[nH]n2)cc1 57412880 YEEDFBFFUXAIDL-UHFFFAOYSA-N 367.405 3.745 0 40 FHAB C[C@H](OC[C@H](O)CN1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 12550705 XVFLPTFHXKTVFW-LAUBAEHRSA-N 374.912 3.601 0 40 FHAB C[C@@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1cccc(Cl)c1 58160465 QHASEGQNLLEDTF-CYBMUJFWSA-N 371.868 3.522 0 40 FHAB COc1ccc(C2(O)[C@H]3CCC[C@H]2CN(Cc2ccccc2F)C3)cc1 100766723 ULLFTEMKNGHRGW-OALUTQOASA-N 355.453 3.954 0 40 FHAB CCn1cc(C(=O)Nc2ccc(C)c(C)c2)c(=O)c2cc(OC)ccc21 22235730 URVAOUFTXHNKTR-UHFFFAOYSA-N 350.418 3.899 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=S)NC(=O)c1ccccc1Br 3258929 NKLNOFMQXXTAHD-GWCFXTLKSA-N 355.301 3.632 0 40 FHAB CNC(=S)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccc2nccnc2c1 58324569 NZPSGHYGOCDAIB-LJQANCHMSA-N 361.474 3.594 0 40 FHAB O=C1O[C@H](Nc2ccc(I)cc2)c2ccccc21 2202998 OTPNRYBYWTXOHT-ZDUSSCGKSA-N 351.143 3.572 0 40 FHAB Fc1cccc(-c2nc(CN3CCC[C@@H]3c3nnc4ccccn34)co2)c1 48280092 IANXIJXQGDMTSU-QGZVFWFLSA-N 363.396 3.861 0 40 FHAB O=C(CN1C(=O)c2cccc3cccc1c23)NCCSc1ccccc1 2478192 YLQREQROXMFCJA-UHFFFAOYSA-N 362.454 3.709 0 40 FHAB Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2C2CCCCC2)c1 2434250 BQVQIJXPCGSCDD-UHFFFAOYSA-N 351.450 3.519 0 40 FHAB Cc1ccccc1NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 22273237 LMKMJTAPPFRUNH-UHFFFAOYSA-N 360.479 3.523 0 40 FHAB Cc1cc2cc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)ccc2[nH]1 46367199 OGHHREXYYIAUJD-UHFFFAOYSA-N 362.838 3.542 0 40 FHAB CCc1c(C(=O)Nc2ccc(-n3cccn3)nc2)cnn1-c1ccc(C)cc1 29851872 ODUQBKJYXKCCMB-UHFFFAOYSA-N 372.432 3.576 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)O)cc2)cc1Cl 3340502 ZMCQPKFVAFXADF-WEVVVXLNSA-N 351.811 3.547 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)CCc1c(C)nc(SC)nc1C 12861672 UKNDKWPZSJOTRE-CQSZACIVSA-N 359.495 3.634 0 40 FHAB COc1cccc(NC(=O)CCn2c(-c3ccc(C)cc3)n[nH]c2=S)c1 12871098 KSHUETVBOWXHRT-UHFFFAOYSA-N 368.462 3.954 0 40 FHAB COc1ccccc1C[C@H]1CCCN1CC(=O)Nc1ccc(Cl)cc1 62580332 LJPPAHKNHMIRAL-GOSISDBHSA-N 358.869 3.994 0 40 FHAB CC(C)(C)c1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 12994739 YRIBSHMZRJKLHZ-UHFFFAOYSA-N 366.505 3.746 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(C)(C)O3)cc1 24614000 OMENDNCDAZBIPR-UHFFFAOYSA-N 374.462 3.549 0 40 FHAB COC(=O)c1cccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)c1C 29157232 VJGDHPZHSDHHNW-UHFFFAOYSA-N 363.417 3.836 0 40 FHAB S=C1N[C@]2(CCS1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 13635983 LZYZYGLFWUPFCS-LPHOPBHVSA-N 367.499 3.895 0 40 FHAB Cc1nn(CC(C)C)c(Cl)c1C(=O)O[C@H](C)C(=O)Nc1ccccc1 6164967 BAKKVYJMCVFBLD-CYBMUJFWSA-N 363.845 3.685 0 40 FHAB C[C@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(N)=O 4329367 RHGMTCPVALPRDG-JTQLQIEISA-N 350.875 3.680 0 40 FHAB Cc1nc(-c2cncnc2[C@@H]2CCCN(CCCc3ccccc3)C2)no1 72356141 TXPWXSDWKRSUOV-GOSISDBHSA-N 363.465 3.647 0 40 FHAB CC(C)c1nc([C@@H]2CCCCCN2C(=O)Cc2cn3ccccc3n2)no1 96001241 ZLLKIIBLBYIWIK-INIZCTEOSA-N 367.453 3.527 0 40 FHAB CCCCC1=NN(C(=O)COc2ccc(C)c(C)c2)[C@@](O)(C(F)(F)F)C1 4860679 GCJPSJWHNFDLAD-KRWDZBQOSA-N 372.387 3.712 0 40 FHAB CC1=C(C(=O)OCC2CCCCC2)[C@@H](c2ccc(F)cc2F)CC(=O)N1 6820017 ZMZWTPAJOHBNBW-MRXNPFEDSA-N 363.404 3.966 0 40 FHAB CC[C@H](C)NC(=O)[C@@H](C)N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 80027601 OOGJIGNGPCFJTA-LSDHHAIUSA-N 355.482 3.569 0 40 FHAB COc1cccc([C@@H](NC(=O)Cc2ccc(Cl)cc2)c2nccn2C)c1 9466604 BLIVKWTUNRXWDE-LJQANCHMSA-N 369.852 3.530 0 40 FHAB O=C(NCc1nc2ccccc2[nH]1)c1ccc(COc2ccc(F)cc2)o1 16694279 FMXHCJWXWPUVKS-UHFFFAOYSA-N 365.364 3.804 0 40 FHAB COc1ccccc1NC(=O)COC(=O)c1occc1-c1ccccc1 8328682 GWJYOVXQNWWJMI-UHFFFAOYSA-N 351.358 3.751 0 40 FHAB Cc1ccc(OCC(=O)Nc2nonc2-c2ccc(C)c(C)c2)cc1C 8587490 KSOXKAXJNFYGAC-UHFFFAOYSA-N 351.406 3.988 0 40 FHAB Cc1ccc2nc(NC(=O)CN3C(=O)CSc4ccccc43)sc2c1 18116177 DCBOZTWMFWNTEY-UHFFFAOYSA-N 369.471 3.682 0 40 FHAB CC(=O)N[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)c1cccs1 8750318 HPBKUDPWLIAIIB-CYBMUJFWSA-N 356.369 3.973 0 40 FHAB C[C@@H](NC(=O)CSc1nc(CC2CCCC2)n[nH]1)c1ccc(F)cc1 8708962 XZKVRFBWMJOJJW-GFCCVEGCSA-N 362.474 3.646 0 40 FHAB CCc1nccn1[C@@H]1CCCN(C(=O)NCCc2c(C)cccc2C)C1 125428292 KSUPBSMMHOGVOT-GOSISDBHSA-N 354.498 3.652 0 40 FHAB CCOC(=O)CC[C@@H]1CCCN(C(=O)CCc2c[nH]c3c(C)cccc23)C1 95973228 UYYXKDGEBTYLHQ-KRWDZBQOSA-N 370.493 3.991 0 40 FHAB COc1cc2cc([C@@H]3CC(C4CC4)=NN3C(C)=O)c(Cl)nc2cc1OC 32934853 MFKAUVCPJSGHSH-INIZCTEOSA-N 373.840 3.965 0 40 FHAB O=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cc1 55211519 DIIHAADNGQGNAY-UHFFFAOYSA-N 364.276 3.754 0 40 FHAB O=C(c1ccncc1)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 72362115 ZMFUXAWAPXXIQZ-KRWDZBQOSA-N 360.417 3.684 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 219054527 SRYXEGFWQOXDJO-KGLIPLIRSA-N 363.841 3.700 0 40 FHAB CC(C)CNC(=S)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1 35289765 FJYVVHJBMJBGOO-YQQQUEKLSA-N 363.546 3.831 0 40 FHAB COc1ccc(-c2nnsc2C(=O)Nc2cc(Cl)ccc2O)cc1 36366125 AQHNGAQCNAWQOX-UHFFFAOYSA-N 361.810 3.825 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N[C@H](C)C(C)C)ccc2C)cc1 225204891 PGZUTCCJQGINOZ-MRXNPFEDSA-N 374.506 3.879 0 40 FHAB CCN(c1ccc(Br)cc1F)S(=O)(=O)c1cccs1 225138381 QPKRUAIWWWGXSF-UHFFFAOYSA-N 364.261 3.865 0 40 FHAB CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc(Br)cc1 224726068 PJQAHOAFANMUBV-UHFFFAOYSA-N 370.268 3.673 0 40 FHAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1 225455133 OMDUWNASZXWPET-SFHVURJKSA-N 352.478 3.561 0 40 FHAB COCCN(Cc1cccn1C)C(=O)c1ccc2sc(Cl)nc2c1 225982896 FAUJOQRXJJNCQM-UHFFFAOYSA-N 363.870 3.577 0 40 FHAB O=C(NCCNc1ccc(C(F)(F)F)cn1)c1cc(Cl)ccc1F 40080759 VDCFFGAIACWXJC-UHFFFAOYSA-N 361.726 3.735 0 40 FHAB C[C@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccc2c(c1)OCO2 45956890 YMTZGACDJZEHDF-JTQLQIEISA-N 373.352 3.882 0 40 FHAB COc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(F)c(F)c1 225786927 MZENTGMWFZWHDZ-LLVKDONJSA-N 352.406 3.727 0 40 FHAB CC[C@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1)c1ccc(C)cc1C 222423430 GFTIWVZVPUGOBL-IBGZPJMESA-N 374.506 3.580 0 40 FHAB COc1cc(N(C)C(=O)C(F)(F)F)ccc1NC(=O)c1cccs1 226285908 ZDUOKTAPEHPGOI-UHFFFAOYSA-N 358.341 3.534 0 40 FHAB CN(Cc1ccccc1)[C@@H]1COC2(CCN(C(=O)CC(C)(C)C)CC2)C1 96073282 AZNWOVLNDBLNSK-IBGZPJMESA-N 358.526 3.705 0 40 FHAB Cc1ccc2c(C(=O)N3CCC([C@H]4C[C@H](N)CCO4)CC3)csc2c1 333296875 PLRJPCLGXCNTQZ-CRAIPNDOSA-N 358.507 3.568 0 40 FHAB COC(C)(C)C(=O)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257293382 QPFOAOMPKTZJMC-HNNXBMFYSA-N 360.429 3.536 0 40 FHAB CCOC(=O)c1cnn2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc12 85471522 LEQYPNMFZNFPDZ-UHFFFAOYSA-N 367.449 3.666 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)c1cc(Cl)c2c(c1)OCCO2 24551810 ANZAYZBVIMRKOE-UHFFFAOYSA-N 374.824 3.503 0 40 FHAB O=C(CN1CCCC1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257277187 NWUGCFQIEPENNP-IBGZPJMESA-N 371.456 3.554 0 40 FHAB C[C@H]1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)c2ccccc2S1 24585092 SAYNHJKURFJRQJ-ZDUSSCGKSA-N 361.488 3.621 0 40 FHAB Cn1cc(CNC(=O)N[C@@H]2CCCC23CCCCC3)c(C(F)(F)F)n1 660940665 XYLLCYPCABLDDO-CYBMUJFWSA-N 358.408 3.741 0 40 FHAB O=S(=O)(Cc1ccc(Cl)cc1Cl)NC[C@@H]1Cc2ccccc21 679431317 MHCVYUZUORWSEE-ZDUSSCGKSA-N 356.274 3.753 0 40 FHAB Cn1cc([C@H]2CCCCN2Cc2ccc(OCCN3CCCC3)cc2)cn1 685471231 RLDNQCBDLGPJFB-JOCHJYFZSA-N 368.525 3.622 0 40 FHAB C[C@@H](Oc1ccc2ccccc2c1)c1nnc(CN(C)C(=O)C2CC2)o1 1776002414 FUNDKIRJKCSQDS-CYBMUJFWSA-N 351.406 3.731 0 40 FHAB COc1ccc2c(c1)C(C)(C)C[C@H]2NC[C@@H]1CCCO[C@H]1c1cc[nH]n1 643927050 TZAHXBZDFIFMKA-VHKYSDTDSA-N 355.482 3.898 0 40 FHAB O=C(Nc1nc([C@@H]2CCCN2)cs1)c1ccc(Br)cc1 585266504 AORMVLHBHKPNDW-NSHDSACASA-N 352.257 3.582 0 40 FHAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)c2cccn2C(C)C)cc1 583619072 RMNNTTVOKQXTBG-CTNGQTDRSA-N 356.466 3.590 0 40 FHAB Cc1ncoc1C(=O)N1CCC[C@]12CN(c1ccc(F)cc1)C(C)(C)C2 1615120030 JLLUSVHMTUMIBC-FQEVSTJZSA-N 357.429 3.786 0 40 FHAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 5464452 CYHJDVWLUMALGS-INIZCTEOSA-N 352.434 3.694 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)[C@H](O)c2ccccc2-3)cc1 5486067 CUWDBBXQCLABDP-HXUWFJFHSA-N 351.427 3.858 0 40 FHAB O=C(COC(=O)c1ccccc1Br)NCCC1=CCCCC1 5691374 BPCFYXFFWLSGGV-UHFFFAOYSA-N 366.255 3.613 0 40 FHAB O=C(NC1(c2ccccc2F)CCCC1)c1cc(-c2ccccn2)n[nH]1 12116866 UUWWPBMCMLXDQJ-UHFFFAOYSA-N 350.397 3.810 0 40 FHAB CCN1CCN(c2ncc(-c3cc(C)no3)c(-c3sccc3C)n2)CC1 12155298 CJHFPCVBDGYHDO-UHFFFAOYSA-N 369.494 3.619 0 40 FHAB O=S(=O)(NCC[C@@H]1C=CCCC1)c1ccc(Br)s1 12375012 PYOZOBQEMGREQK-SNVBAGLBSA-N 350.303 3.535 0 40 FHAB Cc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)n1 12522534 YSYPOVJHLUAAMQ-UHFFFAOYSA-N 371.396 3.751 0 40 FHAB CC(=O)NCCc1nc2ccccc2n1CCOc1ccc2ccccc2c1 12538644 HICMLYWCPLSNDC-UHFFFAOYSA-N 373.456 3.947 0 40 FHAB COC(=O)c1cc(-c2cccc(OC(F)F)c2)nc2c1c(C1CC1)nn2C 17076411 DDVDKFZFXHJTOD-UHFFFAOYSA-N 373.359 3.901 0 40 FHAB C[C@H](C(=O)N[C@@H]1CCCc2nc(-c3ccncc3)ncc21)c1ccccc1 19459408 IMLIYUAUFXFUMZ-MGPUTAFESA-N 358.445 3.836 0 40 FHAB CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3cccc(-c4nc[nH]n4)c3)c2C1 19715641 SKJZHZZQCXVSLI-ZDUSSCGKSA-N 365.437 3.863 0 40 FHAB CCC(=O)N1CCCCN(C)C(=O)c2ccccc2OC[C@@H]1CC(C)C 643564153 PERFPRHQTSBQJH-KRWDZBQOSA-N 360.498 3.585 0 40 FHAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCCc2sccc2C1 593313535 WPWQOGFIMXEPKI-UHFFFAOYSA-N 361.410 3.904 0 40 FHAB CCCc1cc(O)nc(S[C@H](C)C(=O)Nc2ccccc2SC)n1 11443510 LIROAMZXQDPLHF-LLVKDONJSA-N 363.508 3.976 0 40 FHAB CC(C)(C)c1cn2nc(C(=O)Nc3cccc(OC(F)F)c3)ccc2n1 1888913606 YIJQDGAPBRZZHF-UHFFFAOYSA-N 360.364 3.881 0 40 FHAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)Cc3ccccc3C)C2)cc1C 2037913083 PRLDKMIHXPVFJZ-QHCPKHFHSA-N 367.489 3.587 0 40 FHAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCCc1ccccc1 11694348 MSEZNHAVVLQTCK-UHFFFAOYSA-N 367.424 3.773 0 40 FHAB CC[C@H](C(=O)Nc1c(C)nc2sc(C)c(C)n2c1=O)c1ccccc1 11768719 MAMCUGCEWXSWOK-HNNXBMFYSA-N 355.463 3.814 0 40 FHAB Cn1cccc1[C@@H](CNC(=O)c1ccc(C(C)(C)C)cc1)N1CCCC1 11845708 MJWBBUMUWCKPOJ-HXUWFJFHSA-N 353.510 3.890 0 40 FHAB O=C(Cc1ccc(OC(F)F)cc1)Nc1cccc(Cn2ccnc2)c1 25173143 PXSBEXSIJVSGKY-UHFFFAOYSA-N 357.360 3.714 0 40 FHAB C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 40122598 GUEFKJXSMPCTOQ-CZUORRHYSA-N 360.429 3.831 0 40 FHAB O=C(NCCCN1CCc2ccccc2C1)c1ccccc1C(F)(F)F 32400990 AZXMPFBFQJNINX-UHFFFAOYSA-N 362.395 3.884 0 40 FHAB CCOCCOC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC)cc1 21713074 ARJSZNSTHQRMDC-JLHYYAGUSA-N 369.417 3.540 0 40 FHAB CCN(CC)Cc1ccc(CNC(=O)CCc2cc(C(C)=O)c(C)o2)cc1 21960355 GRECJEOWJPDWLA-UHFFFAOYSA-N 370.493 3.881 0 40 FHAB O=C(Nc1cccc(CN2CCCC2)c1)c1ccc(Cn2ccnc2)cc1 60627054 VPRXBVOQBQKFKP-UHFFFAOYSA-N 360.461 3.780 0 40 FHAB CC1CCN(C(=O)CSc2nnc3n2C(C)(C)Cc2ccccc2-3)CC1 882929 RXLIUZUMZHXMAQ-UHFFFAOYSA-N 370.522 3.587 0 40 FHAB C[C@@H]1CN(c2ccc(NC(=O)C3(c4ccccc4)CCC3)cc2)CCO1 76445406 RMCSSOSAKLTFLA-QGZVFWFLSA-N 350.462 3.972 0 40 FHAB O=C(c1ccccc1)c1cnc2ccc(Br)cc2c1C(=O)O 2390460 UVOXHYCOYJBSEE-UHFFFAOYSA-N 356.175 3.927 0 40 FHAB C[C@@H](NC(=O)COc1ccc(Br)cc1)c1ccc(F)cc1 3514819 GTYHSENCJUICRW-LLVKDONJSA-N 352.203 3.844 0 40 FHAB COCCN(C(=O)CCC1CCCC1)c1nnc(-c2cccnc2)s1 4881613 KMZCBOIHUNZEHE-UHFFFAOYSA-N 360.483 3.550 0 40 FHAB CC(C)c1cc(=O)[nH]c(SCC(=O)Nc2c(Cl)cccc2Cl)n1 4943268 OXFNKTDWLMRYGV-UHFFFAOYSA-N 372.277 3.931 0 40 FHAB O=C(CSc1nccn1-c1ccccc1)Nc1cccc2nsnc12 19079414 ZKFPVAFQYBLPHQ-UHFFFAOYSA-N 367.459 3.608 0 40 FHAB CCOc1c(Br)cc(CNCc2ccccn2)cc1OC 6870198 NYFVVKUHDQPHBU-UHFFFAOYSA-N 351.244 3.541 0 40 FHAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(C)c2C)cc1 6880345 ZVWSJQJWQWZSDA-UHFFFAOYSA-N 374.506 3.563 0 40 FHAB C[C@H](Nc1ccnc2cc(Cl)ccc12)c1ccc(S(N)(=O)=O)cc1 7813817 IRUBGWZKUGVIQU-NSHDSACASA-N 361.854 3.709 0 40 FHAB CCc1cccc(C)c1NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 806796 LDYYYLVTPIGHPV-INIZCTEOSA-N 352.434 3.558 0 40 FHAB CCOc1ccc(-c2c(C)sc3ncn([C@@H](C)C(C)=O)c(=O)c23)cc1 958896 FOTLNSDXGJZAKK-NSHDSACASA-N 356.447 3.982 0 40 FHAB CCN(Cc1ccc(C(F)(F)F)cc1)Cc1nc2ccccc2c(=O)[nH]1 23718708 DBVSCYUYNOMERH-UHFFFAOYSA-N 361.367 3.964 0 40 FHAB CCc1nc(N2CCOCC2)c2sc(=S)n(-c3ccccc3)c2n1 1078568 HCJUQDHFKRZSNA-UHFFFAOYSA-N 358.492 3.610 0 40 FHAB COc1ccc(OC)c(NC(=O)Nc2ccn(Cc3ccc(F)cc3)n2)c1 8114836 SKVOCNPSBPHOIS-UHFFFAOYSA-N 370.384 3.732 0 40 FHAB O=C(c1cn(-c2ccccc2)nn1)N(Cc1ccco1)Cc1cccs1 24463141 JEZNMTDRKQXBOJ-UHFFFAOYSA-N 364.430 3.764 0 40 FHAB CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)cc1 103718140 QVHQNEPNYVIQRI-INIZCTEOSA-N 352.434 3.775 0 40 FHAB C[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc2c(c1)CCC2 53387840 QWJQXJGDLBEOQT-INIZCTEOSA-N 362.473 3.789 0 40 FHAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccsc1 12534528 HATISHLMZFTHEO-UHFFFAOYSA-N 356.369 3.856 0 40 FHAB C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc(-n2ccnc2)nc1 107853749 GASAWFJOPOXFTN-HNNXBMFYSA-N 364.449 3.971 0 40 FHAB CC(C)N1C(=O)c2ccc(C(=O)OCc3ccccc3Cl)cc2C1=O 1790927 YNBCDMMZKSCSJM-UHFFFAOYSA-N 357.793 3.701 0 40 FHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@@H](C)N1CCCC1 48128508 NFSCTKNIPNPTPN-LLVKDONJSA-N 365.836 3.657 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)COc2cccc(C)c2)c(OC)c1 12778605 IBNMBCRUGQBHJC-LJQANCHMSA-N 355.434 3.755 0 40 FHAB CC(=O)c1ccc(NC(=O)CNc2ccccc2N2CCCCC2)cc1 3342053 WLCBVAJRZUJRNY-UHFFFAOYSA-N 351.450 3.930 0 40 FHAB Cc1csc(NC(=O)[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)n1 100993822 RPIIAUVOHMBVBC-BETUJISGSA-N 353.488 3.721 0 40 FHAB CN(C)c1ccc(CNCc2cn(C)nc2-c2cc3ccccc3o2)cn1 58329546 XWLFWBYSPKIQAS-UHFFFAOYSA-N 361.449 3.584 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)c1 36358301 RMEUCPNWECMECQ-UHFFFAOYSA-N 365.311 3.851 0 40 FHAB CSc1cc(C(=O)Cn2ccc(=O)c3sccc32)ccc1NC(C)=O 84796828 HLHKKWHPUGPWJV-UHFFFAOYSA-N 372.471 3.626 0 40 FHAB COc1ccc(CSc2nnc(-c3cccc(OC(C)C)c3)n2N)cc1 2373992 HRBVRFMNKXDGPZ-UHFFFAOYSA-N 370.478 3.747 0 40 FHAB Cc1c(C(=O)N[C@H](C)c2nnc3ccccn23)sc2cccc(F)c12 48374475 OEWXOVOYUFBTMJ-LLVKDONJSA-N 354.410 3.883 0 40 FHAB COc1ccc(-c2n[nH]c(SCC(=O)c3cc(F)ccc3F)n2)cc1 3426639 JICQVLAKAIPWAU-UHFFFAOYSA-N 361.373 3.734 0 40 FHAB CCc1cccc(CC)c1NC(=O)CN(c1ccccc1C)S(C)(=O)=O 2648483 ZLCUKWHXCRWTKS-UHFFFAOYSA-N 374.506 3.525 0 40 FHAB COc1ccc(-n2nnc(C(=O)Nc3ccccc3F)c2C)cc1Cl 2699046 AVDPRGBXZKSXDY-UHFFFAOYSA-N 360.776 3.629 0 40 FHAB CCOc1ccccc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 12906730 MTKTULLPQKYZRI-UHFFFAOYSA-N 370.493 3.747 0 40 FHAB COC(=O)c1ccc([C@H]2NC(=O)c3c(sc4c3CC[C@H](C)C4)N2)cc1 3647452 PCFVYSKRXYIUPA-QFYYESIMSA-N 356.447 3.514 0 40 FHAB O=C(CN(Cc1ccc(F)cc1)C1CC1)Nc1ccc(F)c(F)c1F 8777094 CPDJONSGNRBPSL-UHFFFAOYSA-N 352.331 3.846 0 40 FHAB CSc1ccc(CNC(=O)c2cn(-c3cccc(Cl)c3)nn2)cc1 13355831 NZEUZVMENHOYRF-UHFFFAOYSA-N 358.854 3.573 0 40 FHAB CC(C)Cn1cc(Nc2ccc3nnc(-c4ccccc4F)n3n2)cn1 92658384 QXJLNXWJMFTKKT-UHFFFAOYSA-N 351.389 3.527 0 40 FHAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)/C=C/c1ccc(F)cc1 5021017 HVZOTFSHGDXUMP-LNTYHFEGSA-N 350.437 3.982 0 40 FHAB O=C(CN1C(=O)c2cccc3cccc1c23)NCc1cccc(Cl)c1 6128178 HCXWICVVDNKEKR-UHFFFAOYSA-N 350.805 3.770 0 40 FHAB Cc1ccc2nsnc2c1NC(=S)NC(=O)c1ccccc1Cl 408574519 RRCLQLACNIVNJR-UHFFFAOYSA-N 362.867 3.780 0 40 FHAB C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cnn(C(C)(C)C)c1 65923210 IUCHMGVVECUQGJ-CQSZACIVSA-N 370.497 3.693 0 40 FHAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1ccc(C(N)=O)cc1 6623307 ZSLXLNNWPFAMGS-UHFFFAOYSA-N 360.479 3.501 0 40 FHAB O=C(COC(=O)c1ccc(F)cc1)Nc1nc(-c2ccccc2)cs1 9235123 BFWVALGVOSLTJR-UHFFFAOYSA-N 356.378 3.745 0 40 FHAB C[C@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)N1CCCC1 4933600 RKKLHYSXPSKPJJ-NSHDSACASA-N 351.522 3.766 0 40 FHAB CCNC(=O)c1cccc(NC(=O)Cc2c(C)nc3ccccc3c2C)c1 7735329 YQYGFYLAYWUFFL-UHFFFAOYSA-N 361.445 3.783 0 40 FHAB CCc1ccc(-c2csc(NC(=O)CCN3CCSC3=O)n2)cc1 8114704 XWGSYDPBLXBNOB-UHFFFAOYSA-N 361.492 3.870 0 40 FHAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(COc2ccccc2)o1 8181202 GDYRRYMPVWRHDC-UHFFFAOYSA-N 351.358 3.517 0 40 FHAB C[C@@H](Oc1ccc(F)cc1F)c1nn2c(=O)c3ccccc3nc2s1 17074075 MERDECUEDUTQDX-SECBINFHSA-N 359.357 3.722 0 40 FHAB C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1ccc2c(c1)COCO2 73558881 IDWNXXZCGHZVEW-SIFCLUCFSA-N 353.418 3.544 0 40 FHAB CNC(=O)c1ccc(OC)c(NCc2ncc(-c3cccc(Cl)c3)o2)c1 98126873 LQXURWJLYAHLOV-UHFFFAOYSA-N 371.824 3.975 0 40 FHAB COc1ccc(CCCNC(=O)[C@@H](C)Oc2cccc(C)c2)cc1OC 65086871 PIRWSBADCPOMKO-MRXNPFEDSA-N 357.450 3.529 0 40 FHAB O=C(Nc1cccc2cccnc12)N1CCCC[C@@H]1[C@H](O)C(F)(F)F 89808031 DRJOAOYQAMNNIN-HIFRSBDPSA-N 353.344 3.544 0 40 FHAB CC[C@@H](Cc1ccccc1)c1nc(-c2ccc(C(=O)N(C)C)nc2)no1 545064892 DLZULTCCAMDBQT-HNNXBMFYSA-N 350.422 3.570 0 40 FHAB COC(=O)c1cc(NC(=O)c2cc(-c3ccc(C)cc3)no2)ccc1F 36391004 SEUMKAAEHXRSQB-UHFFFAOYSA-N 354.337 3.828 0 40 FHAB C#CCOc1ccc(/C=C2\SC(=S)N=C2O)cc1Br 33786722 BQAXSCUGCZFHRJ-XFFZJAGNSA-N 354.250 3.790 0 40 FHAB Cc1cccc(CNC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c1 72333815 VXAUWNDKCARMJC-UHFFFAOYSA-N 352.217 3.775 0 40 FHAB COc1cccc(-c2cncc(C3CCN(Cc4cccnc4)CC3)n2)c1 72359404 VAQYWCPOUQAYMJ-UHFFFAOYSA-N 360.461 3.927 0 40 FHAB Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCCN(CCc3ccccc3)C2)n1 72353597 DWCMGPDPUKQWQJ-LJQANCHMSA-N 373.504 3.851 0 40 FHAB Cc1cc(Nc2ccccn2)nc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 72359977 NSCINHVLUFFONI-GOSISDBHSA-N 373.460 3.943 0 40 FHAB O=C(O[C@@H](C(=O)NCc1ccc(F)cc1)c1ccccc1F)c1ccco1 35289437 RNZDIRTWXBUWQQ-GOSISDBHSA-N 371.339 3.772 0 40 FHAB CCCN1Cc2cccc(NS(=O)(=O)c3ccc(OCC)c(C)c3)c2C1 542865555 LNVDGVQMZBITFA-UHFFFAOYSA-N 374.506 3.920 0 40 FHAB CS(=O)(=O)c1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 71761868 HYUBPJWZKWRVNH-UHFFFAOYSA-N 374.409 3.918 0 40 FHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1nc(-c2cccs2)no1 219381684 FRNWIODDIJHVQJ-CQSZACIVSA-N 371.462 3.889 0 40 FHAB CCSc1ccccc1NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 30850797 ZXEAYCAELBMGQX-UHFFFAOYSA-N 364.492 3.731 0 40 FHAB CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(Cc2ccccc2)CC1 30755429 IWDACEUFRBBIGV-LJQANCHMSA-N 372.896 3.842 0 40 FHAB CCOc1ccc(C(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1 36227655 YKWHPDRFBIQORP-UHFFFAOYSA-N 358.869 3.744 0 40 FHAB Cc1cc(Nc2ncc(C)s2)cc([C@@H]2CCCN2Cc2ccnn2C)n1 72372602 JIYHBEFATVXGIY-SFHVURJKSA-N 368.510 3.969 0 40 FHAB CCN(CC)c1cc(NC[C@H]2CCCCN2C(=O)OC(C)(C)C)ncn1 79440089 XRWUQSHQJHLQRU-OAHLLOKOSA-N 363.506 3.524 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCC1(c2ccccc2)CCOCC1 78726453 VXPQFUMKUNEMNA-MRXNPFEDSA-N 373.880 3.972 0 40 FHAB CCOc1ccc(NC(=S)NCc2nc(-c3ccccc3)no2)cc1 44103671 DKKPHNOSGQTCKI-UHFFFAOYSA-N 354.435 3.622 0 40 FHAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(C)=O 223188551 KGZBTYRQJAPGBN-OAQYLSRUSA-N 370.468 3.702 0 40 FHAB CCOC(=O)c1cc(Br)cc(Br)c1OCC 44200687 FCDFJNUYLOGSLW-UHFFFAOYSA-N 352.022 3.787 0 40 FHAB CC[C@@H](NS(=O)(=O)c1ccc(F)cc1C)c1ccc(OC)c(OC)c1 225599120 MVALJDVRXPDBLH-OAHLLOKOSA-N 367.442 3.581 0 40 FHAB C[C@H](N[C@H](C)c1ccccc1Br)C(=O)NCc1ccccc1 40161192 VYDVINSLTKCAEF-KGLIPLIRSA-N 361.283 3.805 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl 224134604 DYBCMGPBKQHHCI-LJQANCHMSA-N 372.896 3.826 0 40 FHAB CCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCc1ccccc1Cl 222748496 WQLFIQTYWWAROP-OAHLLOKOSA-N 358.869 3.784 0 40 FHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1F 225012455 IBJFVRIUPORISA-SJORKVTESA-N 370.468 3.700 0 40 FHAB COc1ccc2cc(S(=O)(=O)NCCOc3ccc(C)cc3)ccc2c1 224868988 DMIAYCOFNAMSQF-UHFFFAOYSA-N 371.458 3.514 0 40 FHAB COc1ccc2c(c1)[C@H](NC(=S)Nc1cc(C)ccn1)CC(C)(C)O2 225684731 SRZNZRZJDICOQF-OAHLLOKOSA-N 357.479 3.987 0 40 FHAB O=C(Nc1cccc(F)c1)[C@@H]1C[C@]12CCN(C(=O)Nc1ccc(F)cc1)C2 96227230 NUAYAEQATSKKPW-PXNSSMCTSA-N 371.387 3.847 0 40 FHAB O=C1C[C@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 96308964 VCGSRRKOUBVRSH-AWEZNQCLSA-N 353.180 3.877 0 40 FHAB Cc1cccc(CN2CCC[C@]3(CCN(C(=O)NC4CCCCC4)C3)C2)n1 96216264 GNYBGWLTWHWNRK-QFIPXVFZSA-N 370.541 3.720 0 40 FHAB Cc1ccc(CN2CCC3(CC2)CCN(C(=O)CC(F)(F)F)C3)cc1 96157627 RGGPEUFXKMBCMP-UHFFFAOYSA-N 354.416 3.762 0 40 FHAB CCOc1ccc(N(C)S(=O)(=O)c2ccc(Br)cc2)cc1 97131311 JVWBXCJDDJISML-UHFFFAOYSA-N 370.268 3.673 0 40 FHAB Cn1nccc1C(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257321386 WBLURCNTBJTWEW-KRWDZBQOSA-N 368.412 3.505 0 40 FHAB COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)c(OC)c1 257273393 NGJKVKWNRILCPI-ZQHGGVFQSA-N 373.493 3.722 0 40 FHAB O=C(c1ncccn1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257230315 GBRSXZOATKKZPW-QGZVFWFLSA-N 366.396 3.562 0 40 FHAB CO[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccsc2)c2nccs2)CC1 257233570 GPTWDJIKKVDLME-KKUMJFAQSA-N 350.509 3.810 0 40 FHAB C[C@](CNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)(C(=O)O)c1ccccc1 263268642 HTMUIXOAKYIPNE-DXCKQFNASA-N 357.372 3.514 0 40 FHAB Cc1ccc(-c2noc(CN3C(=O)CSc4ccccc43)n2)cc1F 109505625 ZCKRAKONXVMIJO-UHFFFAOYSA-N 355.394 3.823 0 40 FHAB Cc1nnc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)s1 36391407 FDXOVZJNXBGTEW-UHFFFAOYSA-N 364.883 3.728 0 40 FHAB CCC(=O)N1CCCC[C@H]1C(=O)Nc1nc(C)c(-c2ccccc2)s1 47416880 LEZQZIHPAOICJI-HNNXBMFYSA-N 357.479 3.848 0 40 FHAB Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)cn1 37388585 UESAMSNBXSXFSC-UHFFFAOYSA-N 361.648 3.607 0 40 FHAB COCc1ccccc1CNC(=O)CN1CC[C@@H](C)Sc2ccccc21 84700098 XEKYRWIEMAVJPH-MRXNPFEDSA-N 370.518 3.840 0 40 FHAB Cc1nc(C(=O)N2CCC[C@@]23CN(c2ccc(F)cc2)C(C)(C)C3)co1 1615125206 ZWYBSCSEXXOBHK-HXUWFJFHSA-N 357.429 3.786 0 40 FHAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc(OC(F)(F)F)cc1 5688446 VUAHTJNSBHXDLQ-GFCCVEGCSA-N 350.340 3.975 0 40 FHAB CC(=O)N1Cc2ccccc2O[C@]2(CCCN(Cc3ccccc3F)C2)C1 12087206 DIBCLEKILFKQMJ-QFIPXVFZSA-N 368.452 3.601 0 40 FHAB COc1ccc(C)cc1S(=O)(=O)N1CCCCC[C@H]1c1cc(C)no1 12159422 JTESSFAFBYQKKK-HNNXBMFYSA-N 364.467 3.606 0 40 FHAB O=C(NCCN1CCCCCC1)c1ccccc1OCc1ccccc1 13687458 NIQGTPCTUFMASZ-UHFFFAOYSA-N 352.478 3.871 0 40 FHAB O=c1c(Cl)c(N2CCC[C@@H](C(F)(F)F)C2)cnn1-c1ccccc1 14093609 ANDQZDRWMJRABH-LLVKDONJSA-N 357.763 3.665 0 40 FHAB CCN(CC)C(=O)c1ccccc1NC(=O)COc1ccc(C)c(C)c1 14399536 OUUSPGGAGSGSIA-UHFFFAOYSA-N 354.450 3.803 0 40 FHAB COc1ccc(NC2=NC(=O)/C(=C\c3ccc4c(c3)OCCO4)S2)cc1 16440218 JJKIZRJCPJLEDS-GZTJUZNOSA-N 368.414 3.549 0 40 FHAB O=C(/C=C/c1ccco1)NC(=S)Nc1cc(Cl)c(O)c(Cl)c1 6251508 YFIUDYRYEPWOSD-ONEGZZNKSA-N 357.218 3.818 0 40 FHAB CC[C@H](Cc1ccccc1)c1nc(-c2ccc(C(=O)N(C)C)nc2)no1 545064893 DLZULTCCAMDBQT-OAHLLOKOSA-N 350.422 3.570 0 40 FHAB CC(=O)Nc1ccc(C(=O)COC(=O)c2oc3ccccc3c2C)cc1 5310669 XAUYMFXCVAFJMH-UHFFFAOYSA-N 351.358 3.739 0 40 FHAB O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(Cl)c2c(c1)OCCO2 23387269 DWXBHNFLQBDTKR-GHMZBOCLSA-N 363.763 3.962 0 40 FHAB Cc1c(Cl)cccc1C(=O)N1CCc2ncnc(-c3ccncc3)c2C1 1565555816 PXVHEOWSGZJEKI-UHFFFAOYSA-N 364.836 3.699 0 40 FHAB Cc1ccc(CSC2=NCCN2S(=O)(=O)c2ccc(C)cc2)cc1 2711640 QWFIGUHBCLYMGI-UHFFFAOYSA-N 360.504 3.597 0 40 FHAB COc1ccc([C@@]2(O)CN(c3cccc(C)c3)C3=[N+]2CCCCC3)cc1 2974645 KZSQMXJMVOZNRC-QFIPXVFZSA-N 351.470 3.654 0 40 FHAB CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)=O)C2 4275246 CVOBEMOTLSOHCL-UHFFFAOYSA-N 371.487 3.888 0 40 FHAB Cc1ccccc1CSc1nc(=O)n(Cc2ccccn2)c2c1CCC2 5264342 OHOVEIXKXYCJBH-UHFFFAOYSA-N 363.486 3.776 0 40 FHAB Cc1ccc(-n2ncc3c(C)nn(Cc4ccc(F)cc4)c(=O)c32)cc1C 12228851 LZZAKVWBLWULBU-UHFFFAOYSA-N 362.408 3.695 0 40 FHAB O=C(COc1ccc(Cl)cc1)NCCc1ccc(N2CCCC2)cc1 16847168 RLYJHSOJHRUJDS-UHFFFAOYSA-N 358.869 3.678 0 40 FHAB CCCn1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1cccc(Cl)c1 101113562 JFSHCNBTEIBJHH-CJLVFECKSA-N 356.813 3.526 0 40 FHAB O=C(NC[C@@](O)(c1ccsc1)c1ccco1)c1nc2ccccc2s1 244909709 ASIORSOZCQIWDU-GOSISDBHSA-N 370.455 3.617 0 40 FHAB O=C(NC[C@](O)(c1ccsc1)c1ccco1)c1nc2ccccc2s1 244909710 ASIORSOZCQIWDU-SFHVURJKSA-N 370.455 3.617 0 40 FHAB Cc1ccc(C(=O)CCC(=O)NCc2ccccc2Cn2ccnc2)s1 40023582 AXKOUKRIUKDLMF-UHFFFAOYSA-N 367.474 3.581 0 40 FHAB O=C(CCn1cncn1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 30885801 CCPSNDHMANAVAE-UHFFFAOYSA-N 350.466 3.775 0 40 FHAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(F)c(Cl)c1 51356884 QPEYZIFQAWKVEB-UHFFFAOYSA-N 372.179 3.937 0 40 FHAB O=c1[nH]c(C[P@@](=O)(O)CCc2ccccc2)nc2cc(Cl)ccc12 20723426 DOUZEBBEOJXHAI-UHFFFAOYSA-N 362.753 3.590 0 40 FHAB Cc1ccc(C)c(-n2ncc3c2N=C(O)C[C@]32C(=O)N(C)c3ccccc32)c1 20734478 JQTLMWNMDQVAAV-JOCHJYFZSA-N 372.428 3.743 0 40 FHAB Cc1nnc(S[C@H]2CCc3ccccc3NC2=O)n1-c1ccccc1 20746073 XPCXAJXETNQPGE-KRWDZBQOSA-N 350.447 3.621 0 40 FHAB CCOc1ccccc1-n1ccnc(NCCc2c[nH]c3ccccc23)c1=O 20986789 FETPGTTVDREJOQ-UHFFFAOYSA-N 374.444 3.767 0 40 FHAB Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)NC(=O)CS4)n[nH]2)s1 32423367 VRJPOJKXRSDCJI-UHFFFAOYSA-N 370.459 3.743 0 40 FHAB COc1ccc2c(c1)nc(CN1CCN(c3cc(C)ccc3C)CC1)n2C 21175580 KAKYUEPMOLVWLP-UHFFFAOYSA-N 364.493 3.521 0 40 FHAB Cc1ccc(F)cc1NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 52537523 XRCDKNHZKBZCQZ-UHFFFAOYSA-N 361.848 3.548 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc2c(=O)n3ccccc3nc2s1 2722866 QQLCCNONQATQGN-GFCCVEGCSA-N 361.426 3.501 0 40 FHAB CCOc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)cc1 863697 HYXFICQJDOJCNR-UHFFFAOYSA-N 369.446 3.790 0 40 FHAB CC(C)OC(=O)CSc1nnc(Cc2ccccc2)n1Cc1ccco1 904435 GMJXFHQPSDPSAW-UHFFFAOYSA-N 371.462 3.554 0 40 FHAB CCn1c(COc2cccc3ccccc23)nnc1S[C@H](C)C(=O)O 916144 DUFIZLYPZSYJPY-GFCCVEGCSA-N 357.435 3.595 0 40 FHAB CCN(CC)CC[C@]1(C(N)=O)Cc2ccccc2N(CC)c2ccccc21 1565844 JHDLOPHYLHYSIX-QHCPKHFHSA-N 365.521 3.856 0 40 FHAB COc1cccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)nc(N)n2)c1 1620583 WHOOWDRANBHQPT-UHFFFAOYSA-N 354.797 3.640 0 40 FHAB C[C@@H](OC(=O)c1ccccc1Br)C(=O)Nc1ccc(F)cc1 1923211 PCOQFJMIIUEDSL-SNVBAGLBSA-N 366.186 3.772 0 40 FHAB CCOC(=O)CSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1 646629 XWRITNXJPLGAGZ-UHFFFAOYSA-N 372.368 3.826 0 40 FHAB O=S(=O)(NCCOc1ccccc1)c1ccc(-c2ccccc2)cc1 22495964 RWBOZXWKIJCXOR-UHFFFAOYSA-N 353.443 3.711 0 40 FHAB CCCCn1c(SCC(=O)N[C@@H](C)CC)nnc1-c1ccoc1C 4860756 NTUVOANSQNEXGK-LBPRGKRZSA-N 350.488 3.653 0 40 FHAB CCOc1ccccc1C(=O)Nc1nnc(Cc2ccc(OC)cc2)s1 789938 CHWCLWMEMGJNEG-UHFFFAOYSA-N 369.446 3.789 0 40 FHAB Cc1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2cccnc2)cs1 6681766 VOPMVKMVKOJIMJ-UHFFFAOYSA-N 373.459 3.505 0 40 FHAB COc1ccccc1CN(C(=O)Nc1ccc(N2CCCC2)nc1)C1CC1 47524977 WYTDFHAWCIPGST-UHFFFAOYSA-N 366.465 3.887 0 40 FHAB Cc1c(-c2ccc(Br)cc2)[n+](=O)c2c(n1O)CCCCC2 104096553 LCPLIRVIVOOVTQ-UHFFFAOYSA-N 350.236 3.647 0 40 FHAB Cc1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2)c1 8414687 QUICKEPACUXPCK-UHFFFAOYSA-N 374.824 3.549 0 40 FHAB O=C(Cn1cnc2c(-c3ccccc3)csc2c1=O)Nc1ccccc1 23126347 DOPUDJYMQFJCLS-UHFFFAOYSA-N 361.426 3.764 0 40 FHAB COC(=O)C(C)(C)NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 23152375 DKKOMOKMLBNCJG-UHFFFAOYSA-N 355.312 3.647 0 40 FHAB CN1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccco3)=NN12 934769 XXUYOFJZLUGSIL-MRXNPFEDSA-N 357.841 3.898 0 40 FHAB O=C(Nc1ccc2c(c1)OCCO2)N1CCC[C@H]1c1nc2ccccc2[nH]1 54376367 QDJRQOLPDOEZIO-INIZCTEOSA-N 364.405 3.703 0 40 FHAB CN1CCc2nc(NC(=O)CCCc3nc4ccccc4s3)sc2C1 23608201 PMXBQMVMOWYBRK-UHFFFAOYSA-N 372.519 3.702 0 40 FHAB O=S1(=O)CC[C@H](Cc2nc3ccccc3n2C/C=C/c2ccccc2)C1 12525119 JSENVOZTKSWYPI-AHKGRUIUSA-N 366.486 3.727 0 40 FHAB CCOc1cc2c(cc1NS(=O)(=O)c1ccccc1Cl)O[C@H](C)C2 12560641 DNNVOADEHJRRIK-LLVKDONJSA-N 367.854 3.863 0 40 FHAB Cc1ccc2oc(C(=O)N(C)CCOc3ccccc3Cl)cc(=O)c2c1 24185611 BXEPSUWHCOGYAN-UHFFFAOYSA-N 371.820 3.906 0 40 FHAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9863830 VGIDCKGQDFLQRJ-INIZCTEOSA-N 367.401 3.554 0 40 FHAB O=C(N[C@@H](Cc1ncc[nH]1)c1ccccc1)c1ccc(-n2cccc2)cc1 12547576 AKKOWDXNOLEFSV-FQEVSTJZSA-N 356.429 3.914 0 40 FHAB O=C(CSCc1ccc(Br)cc1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100403421 NGFCCAYNRJDUOK-UMVBOHGHSA-N 354.313 3.987 0 40 FHAB O=C(c1cc(-c2ccccc2Cl)[nH]n1)N(Cc1cccnc1)C1CC1 25099010 AHGBYRAQJHXKLH-UHFFFAOYSA-N 352.825 3.930 0 40 FHAB COC(=O)C1(NC(=O)c2cccc(OCc3ccccc3)c2)CCCCC1 25170281 AISSVAUBRUBDEW-UHFFFAOYSA-N 367.445 3.871 0 40 FHAB COc1ccccc1[C@H](C)N(C)C(=O)c1ccc(CN2CCCC2=O)cc1 25109374 XABCEXZSIVKSOR-INIZCTEOSA-N 366.461 3.651 0 40 FHAB COC(=O)c1csc(-n2nc(C(F)F)cc2-c2ccc(OC)cc2)n1 25185947 RXOIJOKARAPTQR-UHFFFAOYSA-N 365.361 3.729 0 40 FHAB Cc1ccsc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2)C1=O 1412533 ZDXJNNOOLDSFGS-NTEUORMPSA-N 358.444 3.732 0 40 FHAB COC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 1426202 YHHHOBKLKLLWGY-NRFANRHFSA-N 359.425 3.849 0 40 FHAB COC(=O)c1ccc(CSc2nnc3cc(C)c4ccccc4n23)o1 1924372 ANSSOYVEHXFZME-UHFFFAOYSA-N 353.403 3.863 0 40 FHAB C[C@H]1CCCN([C@@H](c2cccs2)c2nnnn2CCc2ccccc2)C1 20143269 XTBUYGUTNMGODQ-LPHOPBHVSA-N 367.522 3.799 0 40 FHAB CC(=O)N[C@@H](CC(=O)NCc1ccc(C(F)(F)F)cc1)c1cccs1 10275058 RCRZQYFNJVDCKI-AWEZNQCLSA-N 370.396 3.651 0 40 FHAB C[C@H](OC(=O)Cc1c(F)cccc1Cl)C(=O)N[C@@H]1CCCC[C@@H]1C 105307392 DIYCRPYZHMSAGV-MQIPJXDCSA-N 355.837 3.648 0 40 FHAB CCc1ccc(-c2nc3c4cnn(-c5ccc(F)cc5)c4ncn3n2)cc1 2196413 ZTQRDVVCXHXBDQ-UHFFFAOYSA-N 358.380 3.832 0 40 FHAB Cc1cc(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)c(C)n1C1CC1 58346548 PWNXBEOOVCHBDN-GASCZTMLSA-N 368.481 3.701 0 40 FHAB Cc1cc(C)n(CC(=O)Nc2ccc(Oc3cccc4[nH]ccc34)nc2)n1 72400460 DOOKQEFJDURVRZ-UHFFFAOYSA-N 361.405 3.807 0 40 FHAB Fc1ccc(-n2ncc3c2ncn2c(-c4cccc(Cl)c4)nnc32)cc1 2412355 FDNRZJGUROMCQK-UHFFFAOYSA-N 364.771 3.923 0 40 FHAB O=C1c2ccccc2C(=O)N1CSc1nnc(Nc2ccccc2)s1 3338432 TYSLCUFVJVGIDQ-UHFFFAOYSA-N 368.443 3.628 0 40 FHAB O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1ccccc1Cl 2514742 FCAYILZGRNBEIA-UHFFFAOYSA-N 371.864 3.910 0 40 FHAB CC1CCN(Cc2ccc(CNc3nnnn3-c3ccccc3)cc2)CC1 29529430 XVWCUPITBNRPLE-UHFFFAOYSA-N 362.481 3.506 0 40 FHAB CCc1sc(C(=O)NCC(=O)Nc2ccnn2C2CCCCC2)cc1C 12851322 RYDUCOHFEZPRAD-UHFFFAOYSA-N 374.510 3.689 0 40 FHAB O=C([C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21)N1CCCCCC1 46463414 RXVWUOJWKKHSHR-MOPGFXCFSA-N 354.494 3.785 0 40 FHAB CC(=O)Nc1cccc(C(=O)O[C@H](C)C(=O)c2ccc(C(C)(C)C)cc2)n1 12841407 RPSZWBATPDGJBW-CYBMUJFWSA-N 368.433 3.766 0 40 FHAB Cc1ccc(NC(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)c(O)c1 9503450 MIROSYGQHYBCBL-UHFFFAOYSA-N 371.396 3.652 0 40 FHAB CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(C)cc2)n2ncnc2N1 3906636 WBGGYIPUVBEGCE-SFHVURJKSA-N 352.438 3.751 0 40 FHAB COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc(F)cc1 4033145 AKCRHCWBTFHMAY-UHFFFAOYSA-N 362.364 3.796 0 40 FHAB CN(Cc1nccn1CC(F)(F)F)c1ncnc2cc(Cl)ccc12 65567233 JHSFPVQHLOJNRU-UHFFFAOYSA-N 355.751 3.678 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(Cn2cccn2)cc1 14185084 ZOAMNUXYIACWHA-HNNXBMFYSA-N 369.852 3.669 0 40 FHAB CC(C)Nc1nnc(SCC(=O)N2CCSc3ccccc32)s1 6510030 MRRRLXRSBPPAEI-UHFFFAOYSA-N 366.537 3.589 0 40 FHAB CCOCCCNc1nc2sc(-c3ccccc3)cc2c2ncnn12 9547185 KDEZAHGXKBQFOQ-UHFFFAOYSA-N 353.451 3.845 0 40 FHAB CSc1ncccc1C(=O)OCC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 4963819 KPWKBAPGCGFDIN-IIAWOOMASA-N 365.495 3.964 0 40 FHAB Cc1cc(C(=O)OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)c(C)o1 7006566 NJQVGCYVTJATSS-UHFFFAOYSA-N 357.328 3.917 0 40 FHAB Cc1cc(C)cc(CSCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c1 7209003 GGUHKHPJGNCMSH-UHFFFAOYSA-N 356.491 3.877 0 40 FHAB CN1CCc2ccc(C(=O)NCc3ccc(Br)c(F)c3)cc21 96011213 PPJBIANZDHJARM-UHFFFAOYSA-N 363.230 3.511 0 40 FHAB O=C(CSCc1ccc(F)cc1)NCc1ccccc1CN1CCCC1 24189313 VOOQDMCUTIEOAX-UHFFFAOYSA-N 372.509 3.971 0 40 FHAB Cc1c(C(=O)Nc2ccccc2N2CCN(C)CC2)oc2ccc(F)cc12 7989595 XSFQETONKAKIRH-UHFFFAOYSA-N 367.424 3.884 0 40 FHAB Cc1ccc(C)n1-c1sccc1C(=O)Nc1ccc(S(C)(=O)=O)cc1 7989616 RLGUOGIOWZZYFC-UHFFFAOYSA-N 374.487 3.811 0 40 FHAB COc1ccc(CN(C(=O)c2cncc(Br)c2)C2CC2)cc1 8164034 YUVJOPFRILQIMR-UHFFFAOYSA-N 361.239 3.658 0 40 FHAB CCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@H]1c1ccccc1C(F)(F)F 8323322 IRXQYACOBRCXRD-AWEZNQCLSA-N 356.344 3.581 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)N1CCN(Cc2cccs2)CC1 17116134 JZQZUZVIKQMUMD-QGZVFWFLSA-N 357.523 3.597 0 40 FHAB Cc1c(C(=O)Nc2cccc(OC(F)(F)F)c2)nnn1-c1ccccc1 19910890 QZFXHNURLDQVBG-UHFFFAOYSA-N 362.311 3.727 0 40 FHAB COc1cc(OC)cc(OCC(=O)N[C@@H](CC(C)C)c2ccccc2)c1 20489383 YEHGAOBNYRWHAY-FQEVSTJZSA-N 357.450 3.986 0 40 FHAB CSc1ccccc1NCC(=O)N1c2ccccc2NC(=O)C1(C)C 96969941 DMVLSBVNIYSAAR-UHFFFAOYSA-N 355.463 3.584 0 40 FHAB CC(=O)c1ccc(NC(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)cc1 95443104 OELLBYSNJBJXHL-HXUWFJFHSA-N 352.434 3.694 0 40 FHAB Cc1ncc(CN2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)s1 89730080 KXARWHDDLUZTNY-UHFFFAOYSA-N 364.902 3.845 0 40 FHAB COc1c(Cl)cc(C(=O)NC(=S)NCc2ccccc2)cc1Cl 408628018 PMPCOISPMSOHSN-UHFFFAOYSA-N 369.273 3.807 0 40 FHAB Cc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)o1 28227960 NFCOUPKHSNORFX-TXEJJXNPSA-N 369.387 3.970 0 40 FHAB CCCOc1ccc(N2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C)CC2=O)cc1 408707663 LLGIJSAFRWTNEQ-GPMSIDNRSA-N 358.482 3.523 0 40 FHAB Cc1nccn1-c1ccccc1CNC(=O)COc1ccc(Cl)cc1 30863771 CUQIQSFOBIWNFS-UHFFFAOYSA-N 355.825 3.529 0 40 FHAB CCc1cccc(NC(=O)COc2cc(C)nc(N3CCC[C@H](C)C3)n2)c1 65101735 HRXWIMQTCCRIPP-HNNXBMFYSA-N 368.481 3.601 0 40 FHAB CC(C)c1ncc(CN(C)C(=O)c2cnc3c(F)ccc(F)c3c2)cn1 512526987 MJQHONSWHSQNGZ-UHFFFAOYSA-N 356.376 3.699 0 40 FHAB Cc1cc(C(=O)N2CCCCCC2)c2cnn(-c3ccccc3F)c2n1 36615992 UGJLTYIZCMUEQL-UHFFFAOYSA-N 352.413 3.884 0 40 FHAB Cn1cc(/C=C2\SC(=O)N=C2Nc2cccc(Br)c2)cn1 71285178 YHSGVWCDTIBLGF-XGICHPGQSA-N 363.240 3.901 0 40 FHAB CCCn1c(=O)nc(-c2cccs2)c2nc(N3CCCCC3)sc21 32615336 GJYZIHIXAMSWFK-UHFFFAOYSA-N 360.508 3.982 0 40 FHAB CCCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCCC1 217449477 RSEQBKQEPPEZBL-UHFFFAOYSA-N 368.499 3.598 0 40 FHAB COc1ccc(-c2[nH]ncc2CNC(=O)C(C)(C)c2ccc(F)cc2)cc1 72399255 PGUZAMZDTVKWPP-UHFFFAOYSA-N 367.424 3.818 0 40 FHAB O=C(O[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1F)c1ccco1 35289436 RNZDIRTWXBUWQQ-SFHVURJKSA-N 371.339 3.772 0 40 FHAB Cc1ccccc1OCC(=O)NCCCn1ncc2c(Cl)cccc21 71196067 MMSIOTJIHKSRNA-UHFFFAOYSA-N 357.841 3.583 0 40 FHAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 222823265 ZMAUILMZEFYHJZ-RTBURBONSA-N 366.490 3.905 0 40 FHAB COc1ccc(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C 225191548 XFKHLAAAQSEQDD-UHFFFAOYSA-N 372.896 3.938 0 40 FHAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)C1(c2ccccc2)CCOCC1 225554821 CLFARCBQBNDGCN-NRFANRHFSA-N 365.473 3.937 0 40 FHAB O=C(Nc1ccccc1OC(F)(F)F)[C@H]1CC(c2cccc(F)c2)=NO1 40088112 KKVGYBPUWLMPJZ-OAHLLOKOSA-N 368.286 3.856 0 40 FHAB O=c1c2c(-c3cccc(Cl)c3)n3ncnc3nc2ccn1C1CCCC1 40397965 ULQGRFFYEXUBCN-UHFFFAOYSA-N 365.824 3.875 0 40 FHAB COc1ccc(Br)cc1C(=O)Nc1ccc([C@H](C)O)cc1 226273264 SGDHOWFCCLOUCV-JTQLQIEISA-N 350.212 3.763 0 40 FHAB O=C(NCc1ccc(F)cc1)N1CC[C@H](Oc2ccc3ccccc3n2)C1 225740111 HWRNKNCQEDXCPC-SFHVURJKSA-N 365.408 3.737 0 40 FHAB S=C(NCCc1ccccc1)Nc1ccc(Oc2ccccc2)nn1 225187995 TXPGDZQQDJMAAK-UHFFFAOYSA-N 350.447 3.798 0 40 FHAB CCOc1ccc(NC(=O)CCc2nc(-c3cccc(F)c3)no2)cc1 225800058 DHPCEBQXOACHFB-UHFFFAOYSA-N 355.369 3.846 0 40 FHAB CCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)cc1C(=O)OC 225831295 QEWQHWYHKPITFK-VLIAUNLRSA-N 363.454 3.796 0 40 FHAB CC(C)(C)c1ccccc1OCCNC(=O)CCc1ccc2c(c1)OCO2 223730827 DBHRLKKIFDMPBG-UHFFFAOYSA-N 369.461 3.841 0 40 FHAB COc1ccc(O[C@@H](C)C(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 225050475 UJIQAFGFEMFSAP-ZDUSSCGKSA-N 369.446 3.928 0 40 FHAB CCCCOc1c(OCC)cc(I)cc1C(=O)O 225282412 WJGMKTBRMGCNDT-UHFFFAOYSA-N 364.179 3.567 0 40 FHAB CSc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1NC(C)=O 223556329 SJQKKNTTYWDXPW-UHFFFAOYSA-N 364.492 3.785 0 40 FHAB COc1ccc(CN2CCC3(CC2)C(=O)N(C)C[C@@H]3c2ccccc2)cc1 96100290 KOBACNAFXYSRGS-OAQYLSRUSA-N 364.489 3.533 0 40 FHAB Clc1ccc(CNC[C@H]2Cn3c(-c4ccccc4)cnc3CO2)cc1 96269368 JGXRQUVHIVJZCG-SFHVURJKSA-N 353.853 3.892 0 40 FHAB biogenic,in-vitro O=C(N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21)c1n[nH]c2c1CCC2 96118019 OSMQHNGNAJLTGY-OAHLLOKOSA-N 354.841 3.841 0 40 FHAB Cn1cc(C(=O)N2CCCC[C@@H]2c2ccn3nccc3n2)c2ccccc21 257330624 XPDGYEWSJQSIDE-LJQANCHMSA-N 359.433 3.588 0 40 FHAB O=C(O)c1cccnc1CN1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 652437037 WKDZYQWDMWHEMI-GFCCVEGCSA-N 367.232 3.740 0 40 FHAB CN1CCc2c(NC(=O)N3CCC4(CCCCC4)CC3)cccc2C1=O 667873515 GQCYBOZIVYFVLU-UHFFFAOYSA-N 355.482 3.893 0 40 FHAB CN(CCc1ccccc1)c1ncc(C(=O)O)c(Cc2ccc(F)cc2)n1 585265758 QUVNGIDHBBVYDM-UHFFFAOYSA-N 365.408 3.584 0 40 FHAB CCNC(=O)NC1CCC(OC(=O)CCSc2ccc(C)cc2)CC1 66537052 QLVXMOSGASLVDM-UHFFFAOYSA-N 364.511 3.651 0 40 FHAB Cc1c(C(=O)Nc2ccccc2N2CCc3sccc3C2)cnn1C 57283824 HTMWOPFBLYQVIW-UHFFFAOYSA-N 352.463 3.605 0 40 FHAB CO[C@@]1(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)CCSC1 96097628 OORSTGUVJUVFSI-QGZVFWFLSA-N 353.915 3.790 0 40 FHAB CN(C)c1ccc(-c2nn3c(-c4ccc(N(C)C)cc4)nnc3s2)cc1 5350092 QAJGTPCLIOSKGR-UHFFFAOYSA-N 364.478 3.652 0 40 FHAB COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NCC2=CCCOC2)cc1OC 12329294 WWULQMSBMWWTIV-GPHNJDIKSA-N 357.494 3.912 0 40 FHAB Cc1ccc(CNC(=O)[C@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)cc1 15935483 PNRDYOQRJIGKBD-KRWDZBQOSA-N 369.440 3.694 0 40 FHAB O=C(N[C@@H](c1ccccn1)C1CCN(Cc2ccccc2F)CC1)C1CC1 19348859 IEXZWOJXVQRHRE-OAQYLSRUSA-N 367.468 3.700 0 40 FHAB COc1cc(N[C@H](C)CCCN[C@H]2CN3CCC2CC3)c2ncccc2c1 19364691 XZCBNFPCVYRZNI-IERDGZPVSA-N 368.525 3.508 0 40 FHAB CC(C)c1ccc(C(=O)N2CCC[C@@H](COc3ccccc3F)C2)c(=O)[nH]1 19453095 VUFVETOZXUTLPR-OAHLLOKOSA-N 372.440 3.569 0 40 FHAB C[C@@H](CN1CCCC[C@@H]1c1ncc2c(n1)CCN(C)C2)c1ccccc1 19456143 AAHATHJUMQGFQP-LAUBAEHRSA-N 350.510 3.795 0 40 FHAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@H](COc3ccccc3F)C2)n1 19572782 YYLMWLAQXGJFCU-ROUUACIJSA-N 373.472 3.908 0 40 FHAB Cc1ccc2nc(CSc3nccn3-c3cccc(F)c3)cc(=O)n2c1 5263522 XTXNVOMUMFYSDI-UHFFFAOYSA-N 366.421 3.620 0 40 FHAB Nc1ccc(NC(=O)COc2ccc(Br)cc2)c(Cl)c1 21819991 PVUROPIFRIPCNV-UHFFFAOYSA-N 355.619 3.702 0 40 FHAB Cc1nnc(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)s1 1092797 YTKJYJRAXKZXBU-UHFFFAOYSA-N 368.793 3.645 0 40 FHAB COc1ccc(-c2nc(CCNC(=O)c3ccccc3)cs2)cc1OC 4167115 HTDIMALMRUCYSO-UHFFFAOYSA-N 368.458 3.800 0 40 FHAB CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc(C)cc2)NC(=S)N1 4276377 FVVOTMSBCQFAFU-KRWDZBQOSA-N 355.438 3.566 0 40 FHAB CCCCC[C@H](O)/C=C/[C@@H]1[C@H](C/C=C/CCCCOC)[C@@H](O)C[C@H]1O 1775953743 VWEVSUSNDAHANL-INIGPEBPSA-N 354.531 3.605 0 40 FHAB Cc1ccc(/C=C/S(=O)(=O)NCc2nccnc2-c2ccsc2)cc1 575619102 LZPINSNTOPDODU-YRNVUSSQSA-N 371.487 3.604 0 40 FHAB CCC(=O)N1CCc2cc(C(=O)Nc3nc4ccccc4n3CC)ccc21 40143828 LKXIGECJPIHUPS-UHFFFAOYSA-N 362.433 3.608 0 40 FHAB O=C(CSCCCc1ccccc1)N1CCN(c2ccccc2)CC1 40161371 OQGCXQFMKAAKTQ-UHFFFAOYSA-N 354.519 3.701 0 40 FHAB COc1cccc2ccn(CCC(=O)NCC3(CC(=O)O)CCCCC3)c12 40309714 VGMVLEIXLBOHNH-UHFFFAOYSA-N 372.465 3.581 0 40 FHAB biogenic C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)c1nc(-c2cccnc2)no1 32876040 QHFKZSUZLMHXLS-CYBMUJFWSA-N 362.389 3.850 0 40 FHAB COc1ccc(C(=O)N[C@H]2CCSc3ccccc32)c(OC)c1OC 21898746 IZXMYSCZELVGPB-AWEZNQCLSA-N 359.447 3.679 0 40 FHAB Cc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccco2)cc1 102898480 GRBAIUFNVZXASS-AVRDEDQJSA-N 372.380 3.669 0 40 FHAB O=C(CCC[C@@H](O)c1ccc(F)cc1)N1C(=O)OC[C@H]1c1ccccc1 22059537 AVAZNWOHQJYCEL-ZWKOTPCHSA-N 357.381 3.750 0 40 FHAB in-vitro COCCn1c([C@@H]2CC(=O)N(c3c(C)cccc3C)C2)nc2ccccc21 12062038 DFPHKCCZERSGLL-QGZVFWFLSA-N 363.461 3.820 0 40 FHAB COc1ccc(-[n+]2cc(-c3ccc4c(c3)OCCO4)n3c2CCCC3)cc1 1414382 KWHJYDVIOFFQSV-UHFFFAOYSA-N 363.437 3.548 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCc2sccc2C1 22597723 UZZRGOOQHJZYHM-SFHVURJKSA-N 352.459 3.597 0 40 FHAB Cc1cc(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)n1Cc1ccccc1 6383848 GHVWZXNLYIVPEE-UHFFFAOYSA-N 372.424 3.632 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)c1 7235901 NTYHUDGINFFZMF-UHFFFAOYSA-N 356.426 3.660 0 40 FHAB CCCc1nnc(CSc2nnc(COc3ccc(Cl)cc3)o2)o1 7604679 MFGBAPMAMJIICX-UHFFFAOYSA-N 366.830 3.930 0 40 FHAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1 7708235 BBLGWWGBVKLZLI-UHFFFAOYSA-N 366.442 3.767 0 40 FHAB Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)N1C[C@H](C)O[C@@H](C)C1 47717000 AHRQFUQXEORHNM-HOTGVXAUSA-N 373.497 3.699 0 40 FHAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc2c(c1)OCCO2 8225260 NWMRAZHRBZEBKG-AWEZNQCLSA-N 369.442 3.651 0 40 FHAB CC1(C)Cc2cccc(OCC(=O)NCCSc3ccccc3)c2O1 8361069 ZCNHBZDWVFVLGQ-UHFFFAOYSA-N 357.475 3.687 0 40 FHAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N1CCO[C@H](c2ccccc2)C1 23896237 DEFHYBFYFYZZPE-INIZCTEOSA-N 361.873 3.715 0 40 FHAB CC(C)CC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)o2)c1 9062120 IFWGWJKMUNDJQF-UHFFFAOYSA-N 364.405 3.974 0 40 FHAB Cc1ccccc1CN1CCC(C(=O)Nc2ccc(C(=O)O)cc2)CC1 9062987 MJTMKEMWGHCJHN-UHFFFAOYSA-N 352.434 3.544 0 40 FHAB Cc1cccc(NC(=O)c2ccn(-c3cccc(Br)c3)n2)n1 106601231 NRIOTTKPLHFZJS-UHFFFAOYSA-N 357.211 3.591 0 40 FHAB COC(=O)Nc1ccc(NC(=O)NCCSCc2cccs2)cc1 43837305 AIKJEOQCBHIFLT-UHFFFAOYSA-N 365.480 3.981 0 40 FHAB COc1cc(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)c(OC)cc1Cl 44515262 GZKXMLYTCGFGPZ-UHFFFAOYSA-N 362.813 3.765 0 40 FHAB CCOC(=O)c1nc(CN2CCC[C@H](c3nc4ccccc4o3)C2)cs1 48251753 ROSDIHVBQNJPSR-ZDUSSCGKSA-N 371.462 3.841 0 40 FHAB Cc1cc(C(=O)NCc2cccnc2OC2CCCC2)nn1C(C)(C)C 48276855 DGXYEDMEXNNVCS-UHFFFAOYSA-N 356.470 3.593 0 40 FHAB CN(CC(=O)OC(C)(C)C)C(=O)c1cccnc1Sc1ccccc1 58192118 JFEDQADAWQQCBJ-UHFFFAOYSA-N 358.463 3.647 0 40 FHAB CCN(C(=O)c1nn(C(C)C)c(=O)c2ccccc12)c1ccc(F)cc1 57744972 OVASGOHUNKZBRI-UHFFFAOYSA-N 353.397 3.783 0 40 FHAB CCCc1c(C(=O)NC(=N)c2ccc(Cl)s2)[nH]c(C)c1C(=O)OC 97163828 LNESNSUJKKPXDE-UHFFFAOYSA-N 367.858 3.532 0 40 FHAB C[C@@]1(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC1(Cl)Cl 58364859 NHCRLZBRFLACTL-ZBFHGGJFSA-N 356.249 3.609 0 40 FHAB COc1ccc2c(c1)[nH]c1c(=O)n(-c3ccccc3Cl)c(S)nc12 101264339 VJHVZUOPIOBPQO-UHFFFAOYSA-N 357.822 3.818 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC[C@H](C)C3)c2)cc1 10112569 REJHWBXNXNMRLE-INIZCTEOSA-N 372.490 3.668 0 40 FHAB COc1ccc(CCn2cnc3c([nH]c4ccc(Cl)cc43)c2=O)cc1 2298718 IQBAGSVGZHWFSF-UHFFFAOYSA-N 353.809 3.783 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)c1ccc2ncsc2c1)c1ccc(F)cc1 10656408 DPIKYTHNOCRKEI-KRWDZBQOSA-N 366.421 3.688 0 40 FHAB C/C=C/c1ccc(OCC(=O)Nc2cc(OC)ccc2OC)c(OC)c1 3345198 CXVDNMDFVOSCEJ-AATRIKPKSA-N 357.406 3.763 0 40 FHAB CCOc1ccc(C(=O)Nc2ccc(-n3cccn3)cc2)cc1OCC 24587508 NAVUMAMJLPAILT-UHFFFAOYSA-N 351.406 3.922 0 40 FHAB O=C1OCCN1CCc1nc(-c2ccc(Br)s2)cs1 45816934 SUDKDASCJJABDY-UHFFFAOYSA-N 359.270 3.629 0 40 FHAB CCn1cnnc1CNc1nc(C)nc2scc(-c3ccccc3)c12 48333276 ZYGZPHNBOGRVMF-UHFFFAOYSA-N 350.451 3.890 0 40 FHAB C[C@@H]1CCc2c(sc3nc(CN(C)Cc4ccccc4F)[nH]c(=O)c23)C1 2650401 XWSOICMOQNZENK-GFCCVEGCSA-N 371.481 3.881 0 40 FHAB Cc1ccc(C)c(NC(=O)CN(C)c2ncnc3sc4c(c23)CCC4)c1 2657666 PHHXPOXPLHZGOW-UHFFFAOYSA-N 366.490 3.872 0 40 FHAB CC(=O)c1ccc(OCC(=O)NCC2(N3CCCCC3)CCCCC2)cc1 3459558 RMYDGQZXNMKLHS-UHFFFAOYSA-N 372.509 3.573 0 40 FHAB O=S(=O)(c1cccc(Br)c1)N1CCC[C@@H]1c1ccccc1 12915772 AZEVZTDWDNJQDI-MRXNPFEDSA-N 366.280 3.975 0 40 FHAB CC(=O)c1ccc(N2CCN(C(=O)c3cc(F)ccc3Cl)CC2)cc1 72331383 MXGCJXBLOOEEMU-UHFFFAOYSA-N 360.816 3.644 0 40 FHAB COc1ccc(-n2ncc3c(N4CCCc5ccccc54)ncnc32)cc1 3912245 VTSMLBIZEXDQGW-UHFFFAOYSA-N 357.417 3.908 0 40 FHAB CCc1nccn1-c1nccnc1[C@H]1CCCN(CCc2ccccc2)C1 72350545 CZRIIIKNHOJOKC-IBGZPJMESA-N 361.493 3.647 0 40 FHAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(CC)cc2)CC1=O 5016981 VNLLZUDOGWJDEZ-INIZCTEOSA-N 352.434 3.639 0 40 FHAB Cc1ccc2oc(C(=O)Nc3ccnn3Cc3ccccc3)cc(=O)c2c1 13720012 MOUPHUKBVKMHGG-UHFFFAOYSA-N 359.385 3.599 0 40 FHAB O=C(NCc1nc(C2CC2)no1)c1[nH]c2ccc(Cl)cc2c1Cl 65006258 XBERBUALGVOUFT-UHFFFAOYSA-N 351.193 3.665 0 40 FHAB CCCn1c(NC(=O)COc2cccc(C(C)=O)c2)nc2ccccc21 6153875 UXUQYGTXPGHSRJ-UHFFFAOYSA-N 351.406 3.666 0 40 FHAB Cc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@H](c1ccccc1O)C3 13942510 FGIZAKKDJROBLO-OAHLLOKOSA-N 370.412 3.718 0 40 FHAB O=S(=O)(NCc1cccs1)c1ccc(Cl)cc1C(F)(F)F 6314043 VWWLENGNOOMXQH-UHFFFAOYSA-N 355.790 3.899 0 40 FHAB O=C(Nc1cc2c(cc1Cl)OCCO2)c1cncc(Br)c1 14189664 KORIZONJVRLYQH-UHFFFAOYSA-N 369.602 3.521 0 40 FHAB CN(CN1C(=O)CC2(CCCC2)C1=O)C(c1ccccc1)c1ccccc1 14198066 HNTFJUQIAJTHEV-UHFFFAOYSA-N 362.473 3.985 0 40 FHAB C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)c1ccc(Cl)cc1 4555264 QZKABEWLXKGTPH-UKRRQHHQSA-N 371.820 3.508 0 40 FHAB Cc1nc(-c2ccc(CNC(=O)Nc3ccc4c(c3)OCCO4)o2)cs1 9255886 AOJQDRAKCSPTDU-UHFFFAOYSA-N 371.418 3.804 0 40 FHAB COc1cccc(NC(=O)CCc2c(C)c3ccc(O)c(C)c3oc2=O)c1 6660423 HDWMFCIGSWGERY-UHFFFAOYSA-N 367.401 3.695 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1nonc1-c1ccc(F)cc1 6719684 MPKZTXQQFBMXTL-CQSZACIVSA-N 359.332 3.811 0 40 FHAB Cc1ccc(CNC(=O)/C(=C\c2ccco2)NC(=O)c2ccc(C)cc2)cc1 33316087 KEFNRADWHATSOH-KGENOOAVSA-N 374.440 3.984 0 40 FHAB O=C(Nc1ccn(Cc2ccccc2)n1)c1cnc(-c2ccccc2)nc1 66919326 BTGNVFOGCFUICR-UHFFFAOYSA-N 355.401 3.641 0 40 FHAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2C(C)C)CC1=O 6939799 XVWMYDRCJGYBSI-HNNXBMFYSA-N 352.434 3.810 0 40 FHAB Clc1ccc(-c2noc(Cn3nnc(-c4ccccc4Cl)n3)n2)cc1 7082382 RWOUNVLXJMGHQI-UHFFFAOYSA-N 373.203 3.745 0 40 FHAB O=C(c1n[nH]c2ccccc12)N1CCN(c2cccc(C(F)(F)F)c2)CC1 7137829 IQTPGCXBJXFEMZ-UHFFFAOYSA-N 374.366 3.544 0 40 FHAB C[C@H](Oc1ccc(F)cc1)C(=O)O[C@@H](C)C(=O)c1c[nH]c2ccccc12 7232903 YGBBDVUCJHJWHD-STQMWFEESA-N 355.365 3.889 0 40 FHAB CC(=O)Nc1ccc(C(=O)CSc2ccc3c(c2)OCCO3)c(F)c1 7293548 GLXZDYRDSYKNJH-UHFFFAOYSA-N 361.394 3.530 0 40 FHAB COc1ccc(-c2nnc(S[C@H](C)C(=O)c3ccccc3)n2C)cc1 9386903 LJPPJXCNGAZIEH-CYBMUJFWSA-N 353.447 3.854 0 40 FHAB Cc1cc(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)c(C)n1C(C)C 16695827 YHVYPBFGZXJTGX-IBGZPJMESA-N 354.450 3.863 0 40 FHAB Cc1ccccc1NC(=O)c1cn(C)nc1-c1ccc2c(c1)OCCCO2 9479170 WNPGBSZYXIVOMX-UHFFFAOYSA-N 363.417 3.809 0 40 FHAB CC(C)c1n[nH]c(SCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)n1 9496076 FVTYRJRBFFUCMY-ZDUSSCGKSA-N 358.511 3.776 0 40 FHAB C[C@H](NC(=O)CNC(=O)c1ccccc1Cl)c1cc2ccccc2o1 8238633 BZIZUONYMMWSLQ-LBPRGKRZSA-N 356.809 3.693 0 40 FHAB C[C@@H](NC(=O)c1ccc(-n2cccn2)cc1)[C@H]1CCN(Cc2ccccc2)C1 95466113 JJQZNWCHTXZVPX-NQIIRXRSSA-N 374.488 3.513 0 40 FHAB Cc1c(C(=O)N(CCCO)CC(C)(C)C)cnn1-c1cccc(Cl)c1 89544941 DDZAHTRVXZLNPN-UHFFFAOYSA-N 363.889 3.705 0 40 FHAB COc1ccc2c(c1)N(Cc1nnc(-c3ccc(C)cc3)o1)C[C@H](C)O2 75858345 HUJJVHUNXYBFBQ-AWEZNQCLSA-N 351.406 3.841 0 40 FHAB O=C(OCc1csc(-c2ccco2)n1)c1cncc(Br)c1 25459232 BNPTWWVKCXIREH-UHFFFAOYSA-N 365.208 3.918 0 40 FHAB COc1ccc(-c2nc(NC(=O)c3ccncc3)sc2C)cc1OC 61237207 YFLBPXWEMUBJQA-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB Cc1cc(C)c(C)c(OCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 22140878 WZVZANCINKVEOI-INIZCTEOSA-N 355.434 3.639 0 40 FHAB COc1ccc(S(=O)(=O)Nc2cccc(OC(C)C)c2)cc1Cl 408615246 NYUGBUSTZAPVEE-UHFFFAOYSA-N 355.843 3.937 0 40 FHAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)c1 408596810 SHYWRIDSIRYHMV-UHFFFAOYSA-N 360.479 3.551 0 40 FHAB CCOc1ccc(CNC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1OCC 218970679 LZLACYMHZHENDX-MRXNPFEDSA-N 357.450 3.876 0 40 FHAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2cc(Cl)ccc2F)c1C 36386364 OYIXQCCVTMPTMY-UHFFFAOYSA-N 357.790 3.595 0 40 FHAB Cn1ncc2c1N=C(O)CS[C@@H]2c1cccc(OCc2cccnc2)c1 79495537 XHBXTNJPBXRXPZ-GOSISDBHSA-N 366.446 3.818 0 40 FHAB Cc1ncccc1Oc1nccnc1[C@H]1CCCN(C(=O)CC(C)C)C1 72383723 NOHUPUKBWFOVIF-INIZCTEOSA-N 354.454 3.724 0 40 FHAB CC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 223663129 XWEYQDNSGNEKNW-UHFFFAOYSA-N 359.447 3.794 0 40 FHAB CN1CC[C@@H](NC(=O)Nc2nc(C3CCC3)cs2)[C@H]1c1ccccc1 570271104 PMLHXGFSLLPOIZ-NVXWUHKLSA-N 356.495 3.978 0 40 FHAB COc1cccc(CNC(=S)Nc2ccc(Br)cc2)c1 225834175 HCIXYAXRDLHGIK-UHFFFAOYSA-N 351.269 3.944 0 40 FHAB CN(CCCNC(=O)COc1cccc2c1CCCC2)c1ccccc1 224568267 GTWUPSKXJISTPZ-UHFFFAOYSA-N 352.478 3.587 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccccc2OC)c1 225313049 XFTGTMAQNQDBHT-UHFFFAOYSA-N 358.463 3.667 0 40 FHAB O=C(COc1cccc2cccnc12)Nc1cc(-c2cccc(F)c2)[nH]n1 223137372 LRQGNAMRMDXENK-UHFFFAOYSA-N 362.364 3.782 0 40 FHAB Cc1c(Cl)cccc1NC(=O)CN1C(=O)COc2cc(Cl)ccc21 44841833 KHVBHVYRPOJVTQ-UHFFFAOYSA-N 365.216 3.666 0 40 FHAB CCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1C(=O)OC 225807432 QGTNBYKBYZNXHL-XOBRGWDASA-N 363.454 3.796 0 40 FHAB COc1ccccc1OCC(=O)Nc1nnc(-c2ccc(C)cc2)s1 225280320 JVLJKMPNAVFGGK-UHFFFAOYSA-N 355.419 3.540 0 40 FHAB CC(C)n1c(=O)sc2cc(NC(=O)COc3ccccc3F)ccc21 225176153 UOKZPEKJPJMYBK-UHFFFAOYSA-N 360.410 3.801 0 40 FHAB O=C(N1CC[C@H](N2CCc3ccccc3C2)C1)C12CC3CC(CC(C3)C1)C2 238943731 WFTRZNFLHXJZFU-NIRMEOIISA-N 364.533 3.862 0 40 FHAB Clc1ccc(-c2cnc3n2C[C@H](CNCc2ccccc2)OC3)cc1 96112924 MYDNASZYUCTTMH-SFHVURJKSA-N 353.853 3.892 0 40 FHAB biogenic,in-vitro CN1C(=O)c2cc(NC(=O)c3ccccc3F)ccc2Oc2ncccc21 95473304 SYOPVNKSQVWLEI-UHFFFAOYSA-N 363.348 3.855 0 40 FHAB Cc1ccc(CCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1C 96621653 BWTNIKHBTXGOSZ-UHFFFAOYSA-N 351.494 3.627 0 40 FHAB C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCCCC[C@H]1c1ccn(C)n1 248094239 CUCHGCHVFURNDD-LPHOPBHVSA-N 355.482 3.945 0 40 FHAB CC(=O)c1cccc(NC(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)c1 244423511 YUZBBROLVDHNST-UHFFFAOYSA-N 364.445 3.689 0 40 FHAB Cc1cccc(Nc2cc([C@H]3CCCN3C(=O)c3cscn3)ccn2)n1 257221348 DOQRAIKZNRJDSI-MRXNPFEDSA-N 365.462 3.962 0 40 FHAB Cc1cncc(C(=O)N2CCC[C@@H]2c2nccnc2Nc2cccc(C)n2)c1 257240311 HSZBFAUPSXSNQF-QGZVFWFLSA-N 374.448 3.604 0 40 FHAB COc1ccc2c(N3CC4(CCC4)[C@@H]3c3ccncc3)ncnc2c1F 596575880 WJGVMGQWRGDIOY-SFHVURJKSA-N 350.397 3.904 0 40 FHAB COc1ncc(Br)cc1CN[C@@H]1CCCc2c(O)cccc21 660395742 GCQPZQCYKVKJQW-OAHLLOKOSA-N 363.255 3.726 0 40 FHAB Cc1cnc([C@H](C)N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)o1 679432277 CWLUOQPLSRUTNV-HOCLYGCPSA-N 371.485 3.775 0 40 FHAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(Cc2ccc(Cl)cc2)C3)n1 585105167 PIQHIADHGWSJHJ-HXUWFJFHSA-N 372.896 3.994 0 40 FHAB Cc1ccc2oc(C(=O)N3CC[C@](O)(Cc4cccc(Cl)c4)C3)cc2n1 678059311 YKJSDLCRTOZYMP-FQEVSTJZSA-N 370.836 3.609 0 40 FHAB CC[C@@H](c1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)C(=O)O 699218392 WNRGYRVZJGOYMB-STQMWFEESA-N 372.259 3.921 0 40 FHAB COCCn1c(SCc2noc(C(C)(C)C)n2)nnc1-c1ccccc1 31439910 DRYOZBNPLUJYIJ-UHFFFAOYSA-N 373.482 3.564 0 40 FHAB C[C@@H](C(=O)Nc1ccc(Cl)cn1)N(C)Cc1c(F)cccc1Cl 58140409 SFNLUXAXWKBUKM-JTQLQIEISA-N 356.228 3.987 0 40 FHAB O=C(NC1CCN(Cc2nc3ccccc3s2)CC1)c1cccs1 58162985 PFDHSOPMCVDVJG-UHFFFAOYSA-N 357.504 3.752 0 40 FHAB CC(C)(C)c1ccc(-c2ccc(C(=O)N3CCC(CC(N)=O)CC3)o2)cc1 79605032 KRDPQUFKNBGOPM-UHFFFAOYSA-N 368.477 3.972 0 40 FHAB O=C1NCCC[C@@H]1Nc1ncnc2cc(-c3ccc(Cl)cc3)sc12 84419434 ABDUHSDGJQCTKX-LBPRGKRZSA-N 358.854 3.702 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2O)n[nH]1 5518821 JXOIHHVFVIYHLN-UHFFFAOYSA-N 374.853 3.870 0 40 FHAB Cc1c(Cl)ccc2c1NC(=O)[C@]2(O)CC(=O)c1ccc(Cl)cc1 5722469 VASQUNWADQAPIT-KRWDZBQOSA-N 350.201 3.715 0 40 FHAB Cc1nc2ccc(NC(=O)CN3CC=C(c4ccc(C)o4)CC3)cc2[nH]1 12114583 RUBVJCKSAZOMGF-UHFFFAOYSA-N 350.422 3.501 0 40 FHAB O=C(NCCCn1c(-c2ccc(F)cc2)cc2cccnc21)[C@@H]1CCCO1 12327450 HWNIUGZFMLCWPG-IBGZPJMESA-N 367.424 3.528 0 40 FHAB Cc1cc(Cl)ccc1NCC(=O)Nc1ccccc1C(=O)NC1CC1 12993032 ZSWVAXBSRIPGLH-UHFFFAOYSA-N 357.841 3.591 0 40 FHAB CCOc1cc(C(=O)Nc2ccc(C(=O)O)cc2)cc(OCC)c1OCC 13166469 PISPFRJRNGKTDT-UHFFFAOYSA-N 373.405 3.833 0 40 FHAB O=C(Oc1ccc(F)c(F)c1)c1ccc(I)cc1 16158207 CAZRHCYUWGEBGL-UHFFFAOYSA-N 360.097 3.789 0 40 FHAB Cc1ccc(CC(=O)N2CCCC[C@@H]2c2n[nH]cc2-c2cc(C)no2)cc1 19209633 HKSVEGPOLNFKMK-GOSISDBHSA-N 364.449 3.978 0 40 FHAB O=C(c1cccnc1)N1[C@H](c2nc(-c3ccc(F)cc3)no2)[C@H]2CC[C@@H]1C2 19337295 XFXROTHJAKTXME-XKQJLSEDSA-N 364.380 3.637 0 40 FHAB COc1ccc2c(CN3CCC(n4nc(C)cc4C)CC3)cn(C)c2c1 19658746 HPSUOZLTDBJGDN-UHFFFAOYSA-N 352.482 3.837 0 40 FHAB CC[C@H](CN1CCOCC1)n1cncc1-c1[nH]c2ccc(C)cc2c1C 19719534 VNUPLDOOTDZYIY-QGZVFWFLSA-N 352.482 3.932 0 40 FHAB O=S(=O)(CCC(F)(F)F)N1CCS[C@H](c2cccs2)CC1 219558831 ISALUMVBPKRDEK-NSHDSACASA-N 359.460 3.510 0 40 FHAB CC(C)C(=O)NC(=S)Nc1ccc(Cl)c(-c2ccc(C(=O)O)o2)c1 226351192 GYNHFEWCSFJCTG-UHFFFAOYSA-N 366.826 3.767 0 40 FHAB c1nc(NCCc2ccc3c(c2)OCCO3)c2c3c(sc2n1)CCC3 934421 WWTIUNUBHWELIX-UHFFFAOYSA-N 353.447 3.606 0 40 FHAB Fc1cc(F)c2nc(N3CCC(COc4cnccn4)CC3)sc2c1 1889186881 AKWGACXOJDYFTG-UHFFFAOYSA-N 362.405 3.660 0 40 FHAB COC(=O)C[C@H](NC(=O)c1ccc(COC(C)C)cc1)c1cccs1 21202669 IRVNFVKURDWVBR-INIZCTEOSA-N 361.463 3.707 0 40 FHAB CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2)c2cc(C)ccc21 32103664 BBFIIXCQDQCBDP-JOCHJYFZSA-N 372.428 3.825 0 40 FHAB Cn1ccc([C@H]2CCCN(C(=O)c3csc(-c4ccccc4)n3)C2)n1 575616550 PPAJQHVEQNJAMB-HNNXBMFYSA-N 352.463 3.563 0 40 FHAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1 13341320 SECFWLHXYWDUON-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB Cc1nn(-c2nc3ccccc3s2)c(O)c1[C@H]1OC(=O)c2ccccc21 100430124 GCMRNAOVRARPEC-INIZCTEOSA-N 363.398 3.756 0 40 FHAB CCn1ccnc1SCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 40057437 XGCMVPMSSVIWBN-UHFFFAOYSA-N 367.478 3.697 0 40 FHAB CC1CCN(CCCNC(=O)NCc2ccc(OC(F)(F)F)cc2)CC1 30992393 YCIJMWASWIQBAK-UHFFFAOYSA-N 373.419 3.506 0 40 FHAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cc2c(s1)CCCCC2 31037601 BSFMAZQRUALRSC-UHFFFAOYSA-N 372.490 3.645 0 40 FHAB C[C@H](NC(=O)[C@H](C)n1cnc2ccccc21)c1ccc(-n2ccnc2)cc1 31813625 UOXZDLUXBYVAJS-HOTGVXAUSA-N 359.433 3.660 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)cc1 21168356 JBWNBDILPIXORP-UHFFFAOYSA-N 350.374 3.621 0 40 FHAB O=C(Nc1ccc(-n2cncn2)nc1)C1c2ccccc2Oc2ccccc21 32765397 MEMWDOKAAWZAQQ-UHFFFAOYSA-N 369.384 3.539 0 40 FHAB Cc1[nH]c2ccc(C(=O)NCc3ccccc3Cn3ccnc3)cc2c1C 32860016 ADQYJDFYAJNJKF-UHFFFAOYSA-N 358.445 3.960 0 40 FHAB CCOc1cc2c(cc1COC(=O)c1ccc(NC(C)=O)cc1)O[C@@H](C)C2 32848675 WNTOTGRKUFVIEA-ZDUSSCGKSA-N 369.417 3.724 0 40 FHAB C[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1cccc2ccccc12 21905605 QDFTXHBEPQIJOS-AWEZNQCLSA-N 368.458 3.702 0 40 FHAB CC(C)(C)NC(=O)CSc1nnc(-c2cccnc2)n1C1CCCCC1 905190 JRCYDZGJXKBPTI-UHFFFAOYSA-N 373.526 3.852 0 40 FHAB O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2)N1CCCCC1 918378 LPNAOWIROGBLJB-SMDDNHRTSA-N 368.359 3.763 0 40 FHAB CCOC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 984834 FAALYXMQWDOBJH-UHFFFAOYSA-N 374.487 3.719 0 40 FHAB COc1cccc(C(=O)Nc2ccc(NC(=O)C3CCCCC3)nc2)c1 1358188 PYMLRUICAWGPPU-UHFFFAOYSA-N 353.422 3.861 0 40 FHAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cn2)cc1 1358521 JMIOGQUZUBBPIT-UHFFFAOYSA-N 353.403 3.656 0 40 FHAB CCCNC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc12 2381473 JLUVCDFQRVWUJY-UHFFFAOYSA-N 359.433 3.604 0 40 FHAB O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccc(OC(F)F)cc1 3271947 RXUSOSXMRHZYCV-UHFFFAOYSA-N 372.327 3.632 0 40 FHAB CCc1cccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c1 3347494 ASTGUJDZVNRNTL-UHFFFAOYSA-N 351.855 3.705 0 40 FHAB CCOc1ccc(C(=O)CCC(=O)Nc2ccc(OC)cc2OC)cc1 3355088 FBRMVACPSMSVSR-UHFFFAOYSA-N 357.406 3.704 0 40 FHAB Cc1cc(C(=O)COc2ncnc3ccccc23)c(C)n1Cc1ccco1 3404028 FSLDDNRLDLPBJN-UHFFFAOYSA-N 361.401 3.951 0 40 FHAB CN(C)[C@H](CNC(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 3437591 ZMHWYGWVWWUMJD-QGZVFWFLSA-N 351.277 3.955 0 40 FHAB CCOc1ccc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc1 3482912 QRZUQFLWHCOQQI-UHFFFAOYSA-N 351.406 3.628 0 40 FHAB C[C@]12CO[C@]3(C(=O)Nc4ccccc4Br)C[C@H]1CC[C@]23C 3893540 ODTQSVJTRLNQCN-BEMMVCDISA-N 350.256 3.983 0 40 FHAB CC(C)(c1ccccc1)c1ccc(OC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 4392771 DYTUKBQWMRECDW-INIZCTEOSA-N 372.486 3.743 0 40 FHAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 4452450 PQXKERDRRBVPFA-UHFFFAOYSA-N 367.184 3.804 0 40 FHAB O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(Nc3ccccc3)cc1)C2=O 4455986 JDMVKIDVDBNUND-UHFFFAOYSA-N 358.353 3.929 0 40 FHAB C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)NCc1ccc2c(c1)OCO2 4524276 BPXKULXTQPWDSP-JTQLQIEISA-N 368.216 3.806 0 40 FHAB C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(-n2cncn2)cc1 5245764 CJAHVEQKQPRNJX-MRXNPFEDSA-N 356.429 3.840 0 40 FHAB C[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccccc2F)CC1 5427142 BIPKCMKFFFCJCF-MRXNPFEDSA-N 365.452 3.834 0 40 FHAB CCc1cccc2c(C(=O)[C@H](OC(=O)COC)c3ccccc3)c[nH]c12 5692645 SHKWWMRXXYZXQV-OAQYLSRUSA-N 351.402 3.844 0 40 FHAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C)s2)n2ncnc2N1 5824864 YUEOWQWBQPQJFC-KRWDZBQOSA-N 366.446 3.680 0 40 FHAB CCOC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CC[C@H](CC)C2 5954127 UKRSPEBFEYJXCA-NSHDSACASA-N 367.467 3.633 0 40 FHAB CNC(=O)CSc1ncc(-c2ccccc2)n1-c1c(C)cccc1C 5972596 BTDARGGURMRKHP-UHFFFAOYSA-N 351.475 3.994 0 40 FHAB CCN(C[C@H](O)c1cccc(O)c1)C(=O)Nc1cccc(C(F)(F)F)c1 6462920 SNFKTSHZHHHBJP-INIZCTEOSA-N 368.355 3.998 0 40 FHAB O=c1[nH]c(CSc2ccc3c(c2)OCCO3)nc2cc(Cl)ccc12 6589022 JGVIWWYECSAOQR-UHFFFAOYSA-N 360.822 3.640 0 40 FHAB CC(C)CC(=O)N1CCc2c([nH]c3ccccc23)[C@]12C(=O)Nc1ccccc12 6623945 RQLLQDWQKCKVTO-HSZRJFAPSA-N 373.456 3.794 0 40 FHAB biogenic O=C(CSc1nnc(NC(=O)c2ccccc2F)s1)c1ccccc1 6739631 ROEFTGLFNSLECD-UHFFFAOYSA-N 373.434 3.905 0 40 FHAB CCCCSc1nnc(NC(=O)c2cc(=O)c3ccccc3o2)s1 6811450 NDVSGHSGGLCFAM-UHFFFAOYSA-N 361.448 3.789 0 40 FHAB CCOc1cccc(C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)c1 6845524 MQMYUONABSKJQW-UHFFFAOYSA-N 358.507 3.658 0 40 FHAB Cc1ccccc1-c1nnc(S[C@@H](C(=O)N(C)C)c2ccccc2)o1 6847009 HWNRTOMLARGREQ-MRXNPFEDSA-N 353.447 3.967 0 40 FHAB Cc1nnc(SCC(=O)NCC2CCCCC2)n1C1CCCCC1 6937988 VXBQHRHWJJVXJT-UHFFFAOYSA-N 350.532 3.880 0 40 FHAB Cc1ccc(-n2nnnc2SCc2cn3cccc(C)c3n2)cc1C 6999907 NBLJSDOALIDZIS-UHFFFAOYSA-N 350.451 3.528 0 40 FHAB CC(C)(C)C(=O)COC(=O)c1ccccc1NC(=O)Cc1ccccc1 7237887 SROQTVXCOVCWIE-UHFFFAOYSA-N 353.418 3.640 0 40 FHAB CCN(C(=O)CSc1nnc(-c2ccoc2C)o1)c1ccc(F)cc1 7387739 XPLIHJQTHPYDTE-UHFFFAOYSA-N 361.398 3.922 0 40 FHAB COc1ccc2c(CSc3nnc(C4CC4)n3C3CC3)cc(=O)oc2c1 7903252 NWAJNURMRUVQNS-UHFFFAOYSA-N 369.446 3.898 0 40 FHAB CS(=O)(=O)c1cccc(NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)c1 7944155 HIOQFYXEDKPLMC-JXMROGBWSA-N 369.364 3.761 0 40 FHAB C[C@]1(CCc2ccccc2)NC(=O)N(Cc2c(F)cccc2Cl)C1=O 8388711 NBUOFPREQKMHQE-LJQANCHMSA-N 360.816 3.922 0 40 FHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCc1ccc(OC)c(OC)c1 8477770 MGJROWLBECJOCB-GOSISDBHSA-N 357.450 3.529 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)N(C)[C@H](C)c2ccccc2)o1 8573269 GZOWTLOJHCBQPP-GFCCVEGCSA-N 357.435 3.950 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc3ccccc3n2C)c1 8807702 VZAINUSUVHHFEG-CYBMUJFWSA-N 353.447 3.895 0 40 FHAB O=C(c1ccc2ccccc2c1)N1CCC(C(=O)N2CCCCC2)CC1 8883672 BMFCQDCYNJEGHI-UHFFFAOYSA-N 350.462 3.705 0 40 FHAB COc1ccc(Cc2nnc3sc(-c4ccccc4C)nn23)cc1OC 10311743 ZSOGPGUODSBEQQ-UHFFFAOYSA-N 366.446 3.769 0 40 FHAB Cc1cc(C(=O)Nc2c(Cl)cccc2Cl)ccc1NS(C)(=O)=O 10315209 NWLKTOHEKFRLEZ-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB CCOc1ncccc1C(=O)OCc1cc(=O)oc2cc(C)c(C)cc12 11480241 GLVMQNVWGXKADE-UHFFFAOYSA-N 353.374 3.561 0 40 FHAB CCOC(=O)/C=C/c1ccc(NC(=O)CSc2nc(C)cs2)cc1 11578296 YMOKIVABXCKWOC-RMKNXTFCSA-N 362.476 3.759 0 40 FHAB COc1ccc(-c2c(C)nn3c(NCCCN(C)C)c(C)c(C)nc23)cc1 12113362 IYMSCDDMSWUPEK-UHFFFAOYSA-N 367.497 3.694 0 40 FHAB O=C(c1n[nH]c2c1CCCC2)N1[C@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 12221809 UNHMXHVVZWNFLA-ZXFUBFMLSA-N 353.441 3.978 0 40 FHAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCC(=O)c1ccccc1 12346640 BXQXAKAGTVEHSN-UHFFFAOYSA-N 354.793 3.916 0 40 FHAB COc1ccc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)c(O)c1 12396410 NZLOVFYBHGCNDI-UHFFFAOYSA-N 374.487 3.867 0 40 FHAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H](C)Sc1ccccc1 12544138 HBKQOHPBMLOZTF-KRWDZBQOSA-N 369.534 3.866 0 40 FHAB CN(C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1 12604918 QMPRRTXLBJHTKM-UHFFFAOYSA-N 366.442 3.764 0 40 FHAB O=C(NC1CC1)[C@H](Sc1nc(-c2cccs2)n[nH]1)c1ccccc1 12616286 ZKLYROVTYZSBTR-CQSZACIVSA-N 356.476 3.645 0 40 FHAB CCN(CC)C(=O)c1cccc(NC(=O)/C=C/c2ccc(OC)cc2)c1 12744135 SHHJMMYAGSDBPV-SDNWHVSQSA-N 352.434 3.829 0 40 FHAB Cc1nc(C(=O)N[C@@H](C)c2ccccc2Cl)nn1-c1ccc(F)cc1 12764513 ZXKKJPWBPBYUEO-NSHDSACASA-N 358.804 3.859 0 40 FHAB COc1ccc2nc(SCC(=O)N[C@@H]3CCCc4ccccc43)[nH]c2c1 13133140 YBUXXBLQMZRFFZ-MRXNPFEDSA-N 367.474 3.857 0 40 FHAB aggregator COC(=O)[C@@H](Cc1cccc(Cl)c1)c1cc(=O)oc2cc(OC)ccc12 13719714 AHLVUJQJPPQKGZ-KRWDZBQOSA-N 372.804 3.954 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccccc1OC(F)(F)F 14244142 QYPUBMOTIXMCTQ-UHFFFAOYSA-N 353.296 3.885 0 40 FHAB O=C(Nc1ccccc1N1CCCC1=O)C1=Cc2cc(Cl)ccc2OC1 16181941 VGGOSNJWQIKNOR-UHFFFAOYSA-N 368.820 3.881 0 40 FHAB Cc1nc2nc(C(F)(F)F)nn2c(O)c1Cc1ccc(C(C)C)cc1 18223182 URXIUSUVFYGGNG-UHFFFAOYSA-N 350.344 3.871 0 40 FHAB CC[C@H](C(=O)Nc1nc2c(s1)CCc1c-2cnn1C)c1ccccc1 19500564 FLEIIDJGRPTGSO-ZDUSSCGKSA-N 352.463 3.775 0 40 FHAB CCC(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1ccc(OC)cc1 19694413 PQQVGNPLHDNDKL-GOSISDBHSA-N 368.481 3.682 0 40 FHAB CCOC(=O)c1cnc2cc(OC)ccc2c1OCC(=O)c1ccccc1 19897588 KVVHCOKNBIBGGC-UHFFFAOYSA-N 365.385 3.682 0 40 FHAB Cc1ccccc1NC(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C 19911177 FCSNHTONJNYXNS-UHFFFAOYSA-N 358.348 3.738 0 40 FHAB COc1ccc([C@@H](C)NS(=O)(=O)c2cc(C(C)C)ccc2OC)cc1 20030030 KFMSODUVPNUKRK-CQSZACIVSA-N 363.479 3.867 0 40 FHAB Cc1csc(CNC(=O)CCc2c(C)nn(-c3ccccc3)c2C)n1 21021976 VWNDZDUUHMUJEC-UHFFFAOYSA-N 354.479 3.503 0 40 FHAB Cc1cc(C)c(N(CC(=O)Nc2cccc(C)c2C)S(C)(=O)=O)c(C)c1 22383329 OFBVALHRGHHLRH-UHFFFAOYSA-N 374.506 3.633 0 40 FHAB COc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)CCC(=O)N2C 22507149 FPVWQWGPUBFZEU-UHFFFAOYSA-N 359.813 3.902 0 40 FHAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)C1(C)C 22839536 UXHFNHUFXPLGCV-YJBOKZPZSA-N 355.482 3.563 0 40 FHAB Cc1ccc(OCC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1C 27664294 BKJMWUIJQLACHP-GOSISDBHSA-N 358.507 3.697 0 40 FHAB CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3ccc4c(c3)CCC4)ccc21 28884804 IGHBIOCPFLOZJF-CQSZACIVSA-N 363.461 3.523 0 40 FHAB Cc1nn(C)c(C)c1/C=C/C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 29528443 VTTHUUSRRSOOIF-MDZDMXLPSA-N 351.372 3.728 0 40 FHAB O=C(CCCc1nnc(-c2ccccc2)o1)NCCc1ccc(F)cc1 32481045 UTVJSAUQHJCONB-UHFFFAOYSA-N 353.397 3.557 0 40 FHAB CC[C@H](C)c1ccc(OCCn2c(CNC=O)nc3ccccc32)cc1 35145310 UTPRTCPHBASMNX-INIZCTEOSA-N 351.450 3.875 0 40 FHAB C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)/C=C/c1cccc(Cl)c1 40069775 AQSMSCQPVQUJCK-FLKMUUGWSA-N 354.837 3.748 0 40 FHAB O=C(OCc1ccccn1)c1cc(-c2cccnc2)n(-c2ccccc2)n1 40138905 RDFVXWKVNIYRHQ-UHFFFAOYSA-N 356.385 3.686 0 40 FHAB CCc1ccc([C@H](NC(=O)NCc2nncn2CC)c2cccs2)cc1 43891531 FPWJKESGAAUWCG-SFHVURJKSA-N 369.494 3.511 0 40 FHAB COc1ccc(C(=O)NCc2ccc3ccccc3c2)c(OC)c1OC 45201249 DZHKKYSFBACIFG-UHFFFAOYSA-N 351.402 3.796 0 40 FHAB COc1ccc(CNC(=O)/C=C/c2ccccc2Cl)c(OC)c1OC 45402458 FOYXRRGBYXDEGR-PKNBQFBNSA-N 361.825 3.695 0 40 FHAB COCCOCc1cccc(NC(=O)N(C)Cc2ccc(F)cc2F)c1 47591308 KQLALQOOCBLZGZ-UHFFFAOYSA-N 364.392 3.792 0 40 FHAB Cc1nn(C)c(C)c1CC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 48230718 OVFOAKQDDAGKPA-UHFFFAOYSA-N 354.385 3.545 0 40 FHAB Cc1ccc(C)c(C(=O)CCC(=O)N[C@H](CN(C)C)c2ccccc2)c1 48309376 FEIPGLZZTAUZTF-HXUWFJFHSA-N 352.478 3.685 0 40 FHAB CCn1cc(NC(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)cn1 48351043 RWLPENSWVPMPAC-UHFFFAOYSA-N 371.372 3.840 0 40 FHAB O=C(Nc1ccccn1)c1cnn(-c2cc(F)cc(F)c2)c1-n1cccc1 49544192 OXZBIJKXRKLPCR-UHFFFAOYSA-N 365.343 3.589 0 40 FHAB COCCOc1cccc(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)c1 52998297 KERWFDAQGCNFBT-ZDUSSCGKSA-N 365.376 3.804 0 40 FHAB O=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)c1cnccn1 57003981 SJJPNNONXGKZJM-UHFFFAOYSA-N 351.316 3.550 0 40 FHAB COCCn1ncc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc21 58107310 KWDZSCQZHOXGGV-UHFFFAOYSA-N 363.339 3.954 0 40 FHAB Fc1ccc2c(NCc3cccnc3OCC(F)(F)F)ncnc2c1 58281717 DRQHXSIVTHBPGF-UHFFFAOYSA-N 352.291 3.717 0 40 FHAB Cc1c(Cl)cccc1NC(=O)[C@H](c1ccccc1)N1CCN(C)CC1 58294807 NYGVMIFJODPQQO-IBGZPJMESA-N 357.885 3.576 0 40 FHAB CN(C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2)[C@@H]1CCCCNC1=O 58309582 JSMPLGGYZMDZOE-LSDHHAIUSA-N 362.539 3.640 0 40 FHAB C[C@@H](NC(=O)/C=C/c1sc2ccccc2c1Cl)C(=O)N1CCCC1 65514046 SYXGCTOZQRXRDF-IDVQTMNDSA-N 362.882 3.695 0 40 FHAB COc1ccc(Cl)cc1C(=O)OCC(=O)N[C@H](C)c1ccc(C)cc1 67198328 AAKYHBJKRZNIJW-CYBMUJFWSA-N 361.825 3.691 0 40 FHAB COc1ccc(NC(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C(C)C)cc1 79111378 OBDOERBTQRSYRI-IBGZPJMESA-N 365.474 3.756 0 40 FHAB Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H]1CCCC[C@H]1C(F)(F)F 84064808 GNWFBYVXCRVMLY-GHMZBOCLSA-N 370.400 3.759 0 40 FHAB Cc1nc2ccccc2n1CCNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 89729977 ARQZRRSIRYMEQU-CVEARBPZSA-N 353.853 3.918 0 40 FHAB CC(C)[C@H](Sc1nncn1C(C)C)C(=O)N[C@@H]1CCOc2ccccc21 89791029 CLXVRVLUVPDLPD-WBVHZDCISA-N 374.510 3.616 0 40 FHAB CC(C)Oc1ccccc1CN1C(=O)N[C@]2(CCCc3sccc32)C1=O 89890923 QDAGSIOLGDBSBR-FQEVSTJZSA-N 370.474 3.819 0 40 FHAB O=C(Nc1nnc(/C=C/c2ccco2)s1)c1ccc(C(F)(F)F)nc1 95449962 VABYSHXTNKLTHG-GQCTYLIASA-N 366.324 3.968 0 40 FHAB CCOc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2C(C)=O)cc1 95945215 OIUARNLXVUZOCI-HXUWFJFHSA-N 368.433 3.800 0 40 FHAB CC(C)(C)[C@H]1CCN(C(=O)Nc2ccc3oc(C4CC4)nc3c2)C[C@H]1O 95996488 JBUBKTKVDTVBQW-GOEBONIOSA-N 357.454 3.966 0 40 FHAB Cc1ccsc1CN1CCC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 96107514 IBQXRDRLFDGEFY-ICSRJNTNSA-N 358.507 3.792 0 40 FHAB CO[C@](C)(CNC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1F 96123667 HNYGLMCVHXRRQX-IBOPUYJASA-N 360.473 3.955 0 40 FHAB Cc1ccc(Cn2cccc/c2=N\C(=O)Cc2sc(=S)[nH]c2C)cc1 104673048 RAHWHYJIXFMDJQ-HEHNFIMWSA-N 369.515 3.942 0 40 FHAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 113959946 ZKTGXXCDVGFDRW-NRFANRHFSA-N 367.493 3.543 0 40 FHAB COc1ccc(NC(=O)c2cnc(-c3cccc(F)c3)nc2)cc1OC 222624295 OPRUFWZKANMIPU-UHFFFAOYSA-N 353.353 3.552 0 40 FHAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N1CCN(c2ccccc2F)CC1 222981383 LCSZMLVLUXJADY-NRFANRHFSA-N 370.468 3.949 0 40 FHAB CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COCc1ccccc1 224745701 QYCUEJBTHSLNLL-FQEVSTJZSA-N 369.461 3.711 0 40 FHAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(F)c1)c1ccc(OC)c(C)c1 224961676 SPJQKZGCQYRLQW-INIZCTEOSA-N 367.442 3.581 0 40 FHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc21 225705486 OTQMTLNBCNUBBH-UHFFFAOYSA-N 366.439 3.584 0 40 FHAB COc1ccc(NC(=O)c2snnc2-c2ccc(F)cc2)cc1OC 225780269 ATBGNTMJGXUHRY-UHFFFAOYSA-N 359.382 3.614 0 40 FHAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC)c(C(=O)OCC)c1 225821753 OZZQLVCTDFYERJ-IBGZPJMESA-N 351.443 3.796 0 40 FHAB COc1cc(Cl)nc(NC(=S)NCc2ccc(-c3ccccc3)o2)n1 225919714 FUOGVUOLJQPVDH-UHFFFAOYSA-N 374.853 3.885 0 40 FHAB O=C(/C=C\c1cccs1)N1C[C@H](c2ccccc2)[C@@H](c2ncon2)C1 253403478 PZIIEGVBBUMZAM-DSPBCKRPSA-N 351.431 3.554 0 40 FHAB Cc1ncoc1C(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 257229612 FYTRBJHMMNQVFI-INIZCTEOSA-N 351.406 3.582 0 40 FHAB Cc1cc2nc([C@@H]3CCCCN3C(=O)c3cc(F)ccc3F)ccn2n1 257241312 HXPMYEUWXZDGKK-KRWDZBQOSA-N 356.376 3.683 0 40 FHAB O=C(c1ccccc1)N1CCC[C@@H](c2cccc(Nc3cnccn3)n2)C1 257297982 RJPLKMBGJIVAQU-QGZVFWFLSA-N 359.433 3.635 0 40 FHAB C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)N3CCOCC3)c1O)OC2(C)C 257341802 ZMAPDBJZADYLED-FVQBIDKESA-N 359.466 3.555 0 40 FHAB COc1ccc(CN2C[C@H]3Cn4c(-c5ccccc5)cnc4C[C@H]3C2)cc1 306134157 NEULACFYEOXMDG-PMACEKPBSA-N 359.473 3.863 0 40 FHAB Fc1cccc(-c2cnc3n2C[C@]2(CCN(Cc4cccs4)C2)OC3)c1 306139124 SPYAVASMRHWPFA-HXUWFJFHSA-N 369.465 3.926 0 40 FHAB COc1ccc(N(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 408624189 FYJHYUPDXVNSPI-UHFFFAOYSA-N 360.262 3.968 0 40 FHAB CCCN1C(=O)N/C(=C/c2ccc(OC)c(OCc3ccccc3)c2)C1=O 409243397 YHGFVDNUIVKPNZ-SFQUDFHCSA-N 366.417 3.577 0 40 FHAB Cc1c(C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)oc2c1ccc1ccccc12 554754858 OOUFQDYNAYAXTQ-MSOLQXFVSA-N 362.429 3.778 0 40 FHAB Cn1c(=O)ccc2ccc(NC(=O)N[C@]3(C)CCCc4ccccc43)cc21 570571002 HOTZRJUTKPEHDD-JOCHJYFZSA-N 361.445 3.912 0 40 FHAB Cc1c(Cl)cccc1S(=O)(=O)NCc1cncc(-c2ccco2)c1 575414358 GDBXWJNKCSPKHO-UHFFFAOYSA-N 362.838 3.782 0 40 FHAB COc1cc([C@H](C)NC(=O)C2(C)CCN(Cc3ccccc3)CC2)ccn1 585083275 LHNINQWLPSKGGF-KRWDZBQOSA-N 367.493 3.570 0 40 FHAB O[C@@H]1[C@@H](NCCOc2ccccc2)CCC[C@H]1Oc1cccc(Cl)c1 585289831 OGLUEUJSQLWSRQ-XUVXKRRUSA-N 361.869 3.669 0 40 FHAB CN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CCN(C(=O)c2ccccc2)C1 623442288 IBCAADGGWRUFDW-HNNXBMFYSA-N 374.843 3.600 0 40 FHAB CN(C)C(=O)c1ccc(NC(=O)N[C@]2(c3ccccc3)CC2(C)C)cc1 665232836 VNYHKBQGTPHBMD-NRFANRHFSA-N 351.450 3.835 0 40 FHAB CN(Cc1ccccc1)C[C@H](O)COc1ccc(Cl)c2cccnc12 677296031 ZHIZHWHIUZCLEV-INIZCTEOSA-N 356.853 3.760 0 40 FHAB CC1(C)CCC(NC(=O)CCc2cccc3ccccc23)(C(N)=O)CC1 1518690064 YQLDKBVPJNMAKM-UHFFFAOYSA-N 352.478 3.713 0 40 FHAB Cc1cc(Nc2ncc(C)s2)nc([C@@H]2CCN(C(=O)C3CCCC3)C2)n1 2037836217 ULMSGHYNCHOKJW-OAHLLOKOSA-N 371.510 3.800 0 40 FHAB O=C(Nc1cccc(O)c1)[C@H](c1ccccc1)N1Cc2ccccc2C1=O 12297057 XYAJRNBFAGJGPC-FQEVSTJZSA-N 358.397 3.728 0 40 FHAB biogenic Cc1cc(C)c2[nH]c(=O)c(CN(C(=O)C(F)(F)F)C3CCCC3)cc2c1 1359518 DZDJMZRCTAWURI-UHFFFAOYSA-N 366.383 3.978 0 40 FHAB O=C(COc1cc(Cl)c(Cl)cc1Cl)O[C@@H]1CCCC[C@@H]1O 682522 MVSZPMNILBYIPQ-NWDGAFQWSA-N 353.629 3.872 0 40 FHAB O=c1[nH]c2ccccc2nc(C(F)(F)F)/c1=N\Nc1ccc(Cl)cc1 3849165 IUTQHDVNPHCCJT-UHFFFAOYSA-N 366.730 3.523 0 40 FHAB CN(Cc1cccc2ccccc12)C(=O)C(=O)Nc1cc(Cl)ccc1O 61719661 ZPPUHVGLLIDVLX-UHFFFAOYSA-N 368.820 3.796 0 40 FHAB Cc1ccc(OCCCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 7504673 KTCXUAQJBQKKJT-UHFFFAOYSA-N 356.441 3.642 0 40 FHAB COC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1cc(C)cc(C)c1 7793478 XULVUFBQSORUQS-AWEZNQCLSA-N 368.458 3.656 0 40 FHAB COCCn1c(SCC(=O)NC2CCCCCC2)nc2ccccc21 8395368 HOYKPRKAUBEZSK-UHFFFAOYSA-N 361.511 3.614 0 40 FHAB Cc1cc(C)c(N2C(=O)[C@H]3[C@@H]4CC(=O)[C@H](c5ccccc54)[C@H]3C2=O)c(C)c1 101114659 VWJPUFXKYFMOKC-BTHPGYMESA-N 359.425 3.571 0 40 FHAB CCN1CCN(c2ccccc2NC(=O)NC[C@@H](C)c2ccccc2)CC1 43574936 DRTPSGZFSQGBBO-GOSISDBHSA-N 366.509 3.754 0 40 FHAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN1C(=O)c1ccco1 25513822 YKTUQVLXASVILJ-CYBMUJFWSA-N 352.312 3.542 0 40 FHAB C[C@H](NC(=S)NCCc1ccccc1)[C@H](c1cccs1)N1CCCC1 3211447 NRQMKRQAOPNFFE-QFBILLFUSA-N 373.591 3.980 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(N2CCCC2=O)cc1 20105591 WMJIXUBJFBCVIC-IBGZPJMESA-N 368.433 3.618 0 40 FHAB COc1cc(/C=C/C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc(OC)c1OC 107450088 MMMFYPLHQSTVKB-MVESHKKQSA-N 359.466 3.667 0 40 FHAB CCc1cccc(C)c1NC(=O)CSc1nc2ccsc2c(=O)n1C 26102111 JXUYYLMLDYXGPX-UHFFFAOYSA-N 373.503 3.597 0 40 FHAB CCc1cccc(C)c1NC(=O)[C@@H](C)n1cnc2sc(C)cc2c1=O 1791901 XFJNIFKVHCGNJM-CYBMUJFWSA-N 355.463 3.837 0 40 FHAB CC[C@@H](NS(=O)(=O)c1ccc(SC)cc1)c1ccc(OC)cc1 20112771 VVIZWRLTNLVSRC-QGZVFWFLSA-N 351.493 3.847 0 40 FHAB C[C@H](CO[C@H]1CCOC1)N[C@H]1CCc2c(Br)cc(Cl)cc21 108363129 CGGFREDLBDXSKV-XAGWURHQSA-N 374.706 3.873 0 40 FHAB Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)cc1 100632537 YHEQVPNGNDZSSY-FVCZOJIISA-N 372.424 3.559 0 40 FHAB CCCC1(CCC)NC(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O 21330431 YDZJQSLCRMVJPD-UHFFFAOYSA-N 364.314 3.773 0 40 FHAB Cc1cc(NC(=O)c2cc(Br)c(Br)s2)no1 12729462 PXOFNULSKSFELE-UHFFFAOYSA-N 366.034 3.822 0 40 FHAB Cc1nc(CN(CC(N)=O)Cc2cccc(Oc3ccccc3)c2)oc1C 58180751 SXQRALRGLWBAQU-UHFFFAOYSA-N 365.433 3.571 0 40 FHAB Cc1noc(C)c1CC(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl 58184655 QSLVGBNHIZUAAE-UHFFFAOYSA-N 363.845 3.606 0 40 FHAB CCc1ccc(-c2nc3cc(N4C[C@H](C(=O)OC)CC4=O)ccc3o2)cc1 57327359 CHSWMQANXLRDJE-OAHLLOKOSA-N 364.401 3.583 0 40 FHAB Cc1cccc(C(C)(C)CNC(=O)C2CCN(CC(F)(F)F)CC2)c1 58217885 TXFZZKHUXSWSPE-UHFFFAOYSA-N 356.432 3.663 0 40 FHAB Cc1ccc(NC(=O)CN2CCc3sccc3C2)cc1Br 10341548 NWRDIUNNRCVWPF-UHFFFAOYSA-N 365.296 3.816 0 40 FHAB Cc1ccc2nc(COc3ccc(C(=O)Nc4cccnc4)cc3)cn2c1 10366956 OXDHGGNFKYDPTF-UHFFFAOYSA-N 358.401 3.869 0 40 FHAB O=C(N[C@H]1COc2ccccc21)C1(c2cccc(Cl)c2)CCOCC1 58730142 JRVJBNJHUCIHJQ-KRWDZBQOSA-N 357.837 3.638 0 40 FHAB COc1cccc(CNC(=O)N(C)Cc2ccc(OC(F)F)cc2)c1 12865754 DLYIZURXQWCEES-UHFFFAOYSA-N 350.365 3.638 0 40 FHAB CCn1c(SCc2ccc(OC)cc2)nnc(Nc2ccccc2)c1=O 28536697 LXVQOBYNJDYWSZ-UHFFFAOYSA-N 368.462 3.703 0 40 FHAB C[C@@H]1CCCN(C(=O)c2ccc(Cn3cc(Br)cn3)cc2)C1 27969984 FGKODRXURGUTIU-CYBMUJFWSA-N 362.271 3.566 0 40 FHAB O=C(COc1ccc2c(c1)CCC2)Nc1nc(-c2ccccn2)cs1 3543650 PCOMFZCDFPJNDD-UHFFFAOYSA-N 351.431 3.711 0 40 FHAB CC(C)c1c(C(=O)Nc2nnc(C3CC3)s2)cnn1-c1ccccc1 12986461 UCIUQNAPXDQDPV-UHFFFAOYSA-N 353.451 3.977 0 40 FHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](c1ccccc1)C1CC1 12924600 LCRYMGWODOFSTH-KXBFYZLASA-N 352.434 3.569 0 40 FHAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(C)cc2)cc1 12974111 ZFFSZWXXTFRLOW-UHFFFAOYSA-N 368.462 3.954 0 40 FHAB COc1ccc2c(CC(=O)N(C)Cc3ccc(OC)c(F)c3)coc2c1 12991808 HYKHVGWCNCLGQR-UHFFFAOYSA-N 357.381 3.790 0 40 FHAB CC(C)n1ncc2cc(C(=O)n3cccc/c3=N\C3CCCCC3)cnc21 12971781 HHMKXWKIKBBOAO-LYBHJNIJSA-N 363.465 3.736 0 40 FHAB CC(=O)Nc1cccc(NC(=O)c2cnn(-c3ccccc3F)c2C)c1C 13014225 SVXZWWQBFHMNDP-UHFFFAOYSA-N 366.396 3.839 0 40 FHAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 4009363 HMXPCWMYCMTPFV-INIZCTEOSA-N 374.481 3.788 0 40 FHAB Cc1ccccc1OCCN(c1nccs1)S(=O)(=O)c1ccccc1 19424714 ARIDQNICUQUDQQ-UHFFFAOYSA-N 374.487 3.726 0 40 FHAB C[C@H](OC[C@@H](O)CNCCCN1CCCCCC1)c1ccc(Cl)cc1 6051594 DNXUXQKZKCFGGZ-PXNSSMCTSA-N 368.949 3.634 0 40 FHAB C[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)N1CCc2ccccc2C1 6054624 LKCCHDIKGZBXIW-CQSZACIVSA-N 365.458 3.802 0 40 FHAB CCC(=O)Oc1ccc2cc(-c3ccc(OC)c(OC)c3)c(=O)oc2c1 4340120 YKGNKYKIIKLXFZ-UHFFFAOYSA-N 354.358 3.793 0 40 FHAB biogenic COc1cc(NC(=O)c2cccnc2Cl)ccc1NC(=O)c1ccco1 408621976 OCPYZTLEZXAWJA-UHFFFAOYSA-N 371.780 3.841 0 40 FHAB CCc1sc(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)cc1C 6432386 IXQSMKPGMGTUAL-MRXNPFEDSA-N 357.475 3.970 0 40 FHAB Cc1ccc(-c2n[nH]c(SCC(=O)N[C@H](C)c3ccccc3)n2)cc1 6427045 OKMQXPZGHXWAFG-CQSZACIVSA-N 352.463 3.750 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1C[C@H](C)O[C@@H](C)C1 14129527 KZLBUNHDVGQCJK-FIKGOQFSSA-N 368.477 3.793 0 40 FHAB COCCSc1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)s1 4510420 BKGYYSAVPLAUSC-UHFFFAOYSA-N 364.279 3.836 0 40 FHAB CCOc1ccc(CN(C)C[C@@H](O)COc2ccc(C)cc2C)cc1OC 14248207 SWHAATNLDORQQV-LJQANCHMSA-N 373.493 3.582 0 40 FHAB CCc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)O)c3c2)cc1 4660892 HENRGIXNZGQUPE-UHFFFAOYSA-N 359.403 3.803 0 40 FHAB O=C(Nc1cc2c(cc1[C@@H](O)c1ccccc1)OCCO2)c1cccs1 4733196 ZTCBIDBTWUSVMM-IBGZPJMESA-N 367.426 3.853 0 40 FHAB CCc1cc(=O)oc2c3c(ccc12)OCN(C1CC(C)(C)NC(C)(C)C1)C3 6760017 ILUUXDBEILOSQR-UHFFFAOYSA-N 370.493 3.817 0 40 FHAB C[C@@H](OC(=O)c1ccc(NC(=O)c2ccco2)cc1)C(=O)c1ccccc1 6795379 PEZSBIGUBIZKCI-CQSZACIVSA-N 363.369 3.960 0 40 FHAB CCOc1ccc(Nc2ccc3nnc(-c4ccc(OC)cc4)n3n2)cc1 9344286 FVKKPHOXKBHNFQ-UHFFFAOYSA-N 361.405 3.942 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc(OC)c1 20042483 GNSLSDNOAVUTER-LJQANCHMSA-N 370.449 3.631 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc3c(c2)CCCC3)c1C 7143771 RCAYKIDUISMTQS-UHFFFAOYSA-N 353.418 3.753 0 40 FHAB CCC[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 7265333 IWRBLUURIQRONT-HNNXBMFYSA-N 352.500 3.544 0 40 FHAB CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 16120553 YHMUAUJNXCADMX-UHFFFAOYSA-N 374.506 3.895 0 40 FHAB Cc1cc(C(=O)O[C@H](C)C(=O)N(C(C)C)C(C)C)c(C)n1Cc1ccco1 8257483 VAMNPINBHWQNDM-QGZVFWFLSA-N 374.481 3.937 0 40 FHAB COc1c(C)cc(CNc2cc(-c3cccs3)nn2CCO)cc1C 84086221 XZLGNJXSTCNFSQ-UHFFFAOYSA-N 357.479 3.841 0 40 FHAB Cc1ccccc1OCC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 27664276 MAOIBXXALUGVLE-LJQANCHMSA-N 372.896 3.981 0 40 FHAB Cn1cnnc1Sc1ccc(NC(=O)c2cccc3cccnc23)cc1 69561267 AAPWEMVQLGYNGB-UHFFFAOYSA-N 361.430 3.767 0 40 FHAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCNC(=O)c1ccccc1 71844223 BIFNVIJKFSOBPY-LEWJYISDSA-N 364.489 3.991 0 40 FHAB CCCCNc1nnc(S[C@H](C(=O)NC2CC2)c2ccccc2)s1 17656658 JQWDGTYTBKFGAF-AWEZNQCLSA-N 362.524 3.862 0 40 FHAB CCn1nnc2cc(C(=O)Nc3ccc(Br)cc3C)ccc21 8751306 FHMGZRMXVYPRNY-UHFFFAOYSA-N 359.227 3.774 0 40 FHAB CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccoc3C)o2)cc1 8734204 XVXOTMXIQHLAIY-LLVKDONJSA-N 371.418 3.960 0 40 FHAB CCn1c(CN(C)[C@@H](C(=O)NC2CC2)c2ccccc2)nc2ccccc21 72308277 VPWOBTCYFDBRLD-OAQYLSRUSA-N 362.477 3.508 0 40 FHAB CCCCc1nc(C)sc1C(=O)Nc1nc(C)c(C(=O)OCC)s1 72402608 ODZCVCJBBSQGFR-UHFFFAOYSA-N 367.496 3.988 0 40 FHAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OC)c(OC)c2OC)C1=O 409008738 DHQQZUDGHVOJNQ-QQMDNXKGSA-N 351.424 3.547 0 40 FHAB O=C(N[C@H]1CCCc2ccccc21)c1cn2c3c(cccc3c1=O)CCC2 22235580 GEPLANWZOWQROA-FQEVSTJZSA-N 358.441 3.755 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)NCCc2ccccc2Cl)c1 63070664 PHHOHKHJZKDYKC-ZDUSSCGKSA-N 362.857 3.960 0 40 FHAB O=C(O)[C@H]1CN[C@@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)S1 408980065 UIGVPKRHTLEJMO-QZTJIDSGSA-N 356.422 3.617 0 40 FHAB Cc1ccc(OCc2nn(CC(=O)Nc3ccccc3F)c(=S)o2)cc1 409162418 DTBSVGASCOAUCZ-UHFFFAOYSA-N 373.409 3.871 0 40 FHAB COCC(=O)Nc1cccc(CN[C@@H]2CCc3cc(F)c(Cl)cc32)c1 527851114 TXWHSIMQPPXWQV-GOSISDBHSA-N 362.832 3.841 0 40 FHAB Cc1nnc2n1N1C(=CS[C@@H]1c1ccc(Br)cc1)S2 32104959 TWPHXFIUAAATHC-LLVKDONJSA-N 353.270 3.637 0 40 FHAB COCC(=O)N1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 72349272 IELLIOAJUJAGBK-MRXNPFEDSA-N 358.869 3.678 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(Cl)nc2)cc1 72211482 YKGUESOMQZYUGH-INIZCTEOSA-N 350.871 3.959 0 40 FHAB Cn1cc(CN2CCC[C@H]2c2cccc(Cc3ccc(F)cc3)n2)cn1 72358125 RPLOBJNDBGRDAS-NRFANRHFSA-N 350.441 3.882 0 40 FHAB C[C@@H](NC(=O)Cc1nsc2ccccc12)[C@@H]1OCCc2sccc21 563001396 DKRNGMYMXWFTTN-ZMZPIMSZSA-N 358.488 3.719 0 40 FHAB COc1ccc(-c2noc([C@@H]3CCN(Cc4ccccc4F)C3)n2)cc1 72369913 WIGOQMNBEVAORZ-MRXNPFEDSA-N 353.397 3.874 0 40 FHAB Cc1cccc(CNC(=O)CCc2ccc(Br)cc2F)n1 130494092 ILFHNOYAZWVPRU-UHFFFAOYSA-N 351.219 3.541 0 40 FHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1cccc(OC)c1 224623005 OUYGWNAPGPUETA-SFHVURJKSA-N 363.841 3.701 0 40 FHAB CN(c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)[C@H]1C[C@@H](N)C1 575127985 WWGDTEDOLOJSHW-BJHJDKERSA-N 365.355 3.593 0 40 FHAB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2cccs2)cc1Cl 225142241 GYJIZAITDIBLRT-UHFFFAOYSA-N 373.883 3.793 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 225017095 QZMXYQXOUUUCTL-SJLPKXTDSA-N 370.468 3.924 0 40 FHAB CCc1ccc(OCC(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224675682 IIKASMQGZPXUDV-UHFFFAOYSA-N 366.505 3.930 0 40 FHAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1 225799553 ZFCUVLFKLCSPSN-LJQANCHMSA-N 351.443 3.794 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccccc2Br)c(C)c1C 222697263 CKYLPBMGHRUCLN-UHFFFAOYSA-N 370.268 3.875 0 40 FHAB Cc1csc(NC(=O)CCC(=O)Nc2ccc(Br)cc2)n1 94993168 UVTNMBPYPRMFKW-UHFFFAOYSA-N 368.256 3.571 0 40 FHAB Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 96344949 PGTYAWCINQFYQN-LBPRGKRZSA-N 368.824 3.516 0 40 FHAB CO[C@H](CNC(=O)C1(c2ccccc2)CCOCC1)c1ccc(C)s1 96104728 LYWPFMODXNHBSX-QGZVFWFLSA-N 359.491 3.609 0 40 FHAB Cc1cccc(COC[C@@H]2CN(Cc3ccc(C)s3)Cc3ccnn32)n1 247873796 MYCZRYYGAVMNEG-IBGZPJMESA-N 368.506 3.730 0 40 FHAB O=S(=O)(CCC(F)(F)F)NCc1cccc(OC2CCCCC2)c1 585081098 NQIQYNDLZNZPIR-UHFFFAOYSA-N 365.417 3.770 0 40 FHAB Cc1ccc(CCC(=O)N2CCOC[C@H]2Cc2c[nH]c3ccccc23)s1 585085017 IQHXLHORRZDYSH-QGZVFWFLSA-N 368.502 3.941 0 40 FHAB CCn1nccc1-c1cc([C@@H]2CCCCN2C(=O)C(C)(C)C)nc(C)n1 257294806 QVUYFBNSMZRUDD-KRWDZBQOSA-N 355.486 3.768 0 40 FHAB COc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1OC 260766057 IUVZXXMQAHBBTI-NXOUGTEYSA-N 355.463 3.688 0 40 FHAB CCn1cc(C(=O)Nc2cc([C@H]3CCCOC3)nn2C)c2ccccc21 279316777 MQVHFANSGPPZRX-AWEZNQCLSA-N 352.438 3.541 0 40 FHAB COc1cccc([C@@H](C(=O)O)N2CC[C@H](Oc3ccccc3Cl)C2)c1 634691693 MNSMBQIODOKYFI-YJBOKZPZSA-N 361.825 3.628 0 40 FHAB COc1ccc2nc([C@@H]3NC(C)(C)C(=O)N3c3ccccc3)sc2c1 639418886 AQWSPVPFCXJGHG-MRXNPFEDSA-N 353.447 3.719 0 40 FHAB Cc1cc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)c2cccc(F)c2)on1 19121398 QLNZYFWFMVWSMC-QGZVFWFLSA-N 368.412 3.890 0 40 FHAB Cc1cccc(-c2noc([C@@H]3[C@H]4CC[C@H](C4)N3C(=O)c3cccnc3)n2)c1 19235542 KPLJPHKINSQBPT-QGTPRVQTSA-N 360.417 3.806 0 40 FHAB CC(=O)N[C@H]1CCO[C@@H](c2cccc(NC(=O)CCc3ccccc3)c2)C1 19712266 IRYOXSRBNFQWQR-LEWJYISDSA-N 366.461 3.614 0 40 FHAB Cc1cccc(CN2C(=O)S/C(=C\c3ccc(C(=O)O)cc3)C2=O)c1 6478671 JRWPQXOXNQIMSJ-YBEGLDIGSA-N 353.399 3.930 0 40 FHAB Cc1cccc(-c2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2C)c1 3416740 MRSDLQHIAJZZLD-OAHLLOKOSA-N 366.490 3.760 0 40 FHAB CC(=O)c1ccccc1NC(=O)COC(=O)c1cc2ccccc2cc1O 5841877 SYKVGDWPKJXDPG-UHFFFAOYSA-N 363.369 3.544 0 40 FHAB Brc1csc(CN2CC[C@H]3CN(c4ccccn4)C[C@@H]32)c1 1889102958 PXQVAQQWPMLCBT-WFASDCNBSA-N 364.312 3.616 0 40 FHAB CC1(C)C[C@]2(CCO1)OC(=O)C[C@@H]2C(=O)Nc1c(Cl)cccc1Cl 1079436 GTOISFOVUPTITK-QGHHPUGFSA-N 372.248 3.823 0 40 FHAB CCCc1cc(=O)[nH]c2nnc(SCc3ccc(Cl)c(Cl)c3)n12 4250349 WDUBEBZSHYMKFI-UHFFFAOYSA-N 369.277 3.969 0 40 FHAB O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1CC(=O)N(c2ccccc2)C1 4359909 FCMRZHUVDUVBIB-LBPRGKRZSA-N 364.232 3.920 0 40 FHAB O=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1cccs1 4374717 XKJFARSLCHSINM-UHFFFAOYSA-N 372.450 3.631 0 40 FHAB Cc1cc(-c2nnc(NC(=O)C(c3ccccc3)c3ccccc3)o2)nn1C 11693817 SBUSVENADKBIID-UHFFFAOYSA-N 373.416 3.549 0 40 FHAB O=C(/C=C\c1ccc2c(c1)OCO2)OCc1cc(-c2cccs2)on1 12236717 YZWJZSISBQVPEN-XQRVVYSFSA-N 355.371 3.888 0 40 FHAB COc1ccccc1C1(CNC(=O)Cc2ccc(Cl)cc2)CCOCC1 16969820 ODHDKAOXHAFYNI-UHFFFAOYSA-N 373.880 3.756 0 40 FHAB O=C(NC[C@](O)(c1ccco1)c1cccs1)c1c(F)cccc1Cl 225585923 JMTPUSVUVPWINX-KRWDZBQOSA-N 365.813 3.800 0 40 FHAB Cc1ccc(C)c(OC[C@H](O)CN2CCN(c3cccc(Cl)c3)CC2)c1 23211912 OLYGDYUGTVLLCC-HXUWFJFHSA-N 374.912 3.519 0 40 FHAB COc1ccc(NS(=O)(=O)c2ccc(Br)c(C)c2)cc1 3581274 PVBYYFJZNBGJCM-UHFFFAOYSA-N 356.241 3.567 0 40 FHAB CC[C@H](Oc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10443951 VVVAISBEXOVPSM-FQEVSTJZSA-N 366.461 3.721 0 40 FHAB O=C(c1cc2c(s1)CCC2)N1CCC[C@H]1c1nnc2n1CCCCC2 40080265 IOUWEJTTXCIAKL-AWEZNQCLSA-N 356.495 3.532 0 40 FHAB O=C(c1cncc(Br)c1)N(Cc1ccco1)Cc1ccco1 30472076 IVPPLKZBXRWBTL-UHFFFAOYSA-N 361.195 3.873 0 40 FHAB COc1ccc(F)cc1-c1csc(NC(=O)Cc2c(C)noc2C)n1 40111322 QWXJBYXLYKUJJV-UHFFFAOYSA-N 361.398 3.744 0 40 FHAB C[C@H](OC(=O)c1ccccc1Oc1ccccc1)C(=O)NCc1ccco1 20867652 SWOVVIJCLFYZJK-HNNXBMFYSA-N 365.385 3.934 0 40 FHAB CCN1/C(=C\C=c2/sc3nc4ccccc4n3c2=O)C=Cc2ccccc21 102129154 VADXSPLJQYSMHQ-WQBPOOPKSA-N 371.465 3.846 0 40 FHAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)N[C@@H]1CCc2ccccc21 32843593 GOQPNVWSRONKIL-QGZVFWFLSA-N 357.837 3.848 0 40 FHAB COc1ccc(C(C)=O)cc1COC(=O)Cc1coc(-c2ccccc2)n1 32837702 BQHRCOUVQUFHMD-UHFFFAOYSA-N 365.385 3.839 0 40 FHAB CCc1ccc(OCC(=O)N2CCCC[C@H]2CCN2CCCCC2)cc1 21658743 YIYMSKBKQIWLLM-FQEVSTJZSA-N 358.526 3.885 0 40 FHAB CC(C)(C)c1nc2cc(NC(=O)c3cccc(S(C)(=O)=O)c3)ccc2[nH]1 32909863 CEKFJEUPGHDIDG-UHFFFAOYSA-N 371.462 3.516 0 40 FHAB Brc1cccc(CSCc2nnnn2-c2ccccc2)c1 46578449 FOSWNFDHAFVKOR-UHFFFAOYSA-N 361.268 3.858 0 40 FHAB CCOc1ccc(N2C[C@@H](C(=O)Nc3c(C)cccc3CC)CC2=O)cc1 806793 QSQJADPWNATGCZ-KRWDZBQOSA-N 366.461 3.948 0 40 FHAB CC(C)c1nnc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)s1 41614766 OOUVJCGQVCDLFW-UHFFFAOYSA-N 364.434 3.624 0 40 FHAB CCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1-n1cccc1 4518542 VRUUSPNSKWPQME-UHFFFAOYSA-N 369.494 3.691 0 40 FHAB O=C(c1ccc(Br)o1)N1CCc2[nH]c3ccc(F)cc3c2C1 12407049 RODLOMWYYDROEM-UHFFFAOYSA-N 363.186 3.861 0 40 FHAB COC(=O)Nc1ccc(NC(=O)N(C)Cc2ccc(OC)c(F)c2)cc1 47584096 GHKQENCFMLALPC-UHFFFAOYSA-N 361.373 3.677 0 40 FHAB C[C@@H]1CN(Cc2ccccc2NC(=O)N(C)Cc2ccco2)C[C@@H](C)O1 47569487 CDTABBDMUZXIPL-HZPDHXFCSA-N 357.454 3.553 0 40 FHAB O=C(c1ccccc1I)N1CCCc2ccccc21 834192 XZCRELQWCKWNOJ-UHFFFAOYSA-N 363.198 3.884 0 40 FHAB CCOC(=O)c1ccc(NC(=O)Cn2cc(C(C)=O)c3ccccc32)cc1 807303 PLRMBCHNDONLKK-UHFFFAOYSA-N 364.401 3.659 0 40 FHAB Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CNC[C@H](c1ccco1)N(C)C 23249334 FWANGFMIFGHTSR-RTBURBONSA-N 374.525 3.518 0 40 FHAB O=C(CC1(C(=O)O)CCCC1)Nc1ccc(-n2cnc3ccccc32)cc1 12575847 KTZREBSDKCVXLV-UHFFFAOYSA-N 363.417 3.999 0 40 FHAB CCOC(=O)N1CCC(C(=O)N(c2ccccc2)c2nc(C)cs2)CC1 24007134 DPONJBDYBYXGIV-UHFFFAOYSA-N 373.478 3.985 0 40 FHAB CN(Cc1cnn(C)c1)C(=O)c1cc(-c2cccs2)nc2ccccc12 24470611 NAJXBVYGZFCDAQ-UHFFFAOYSA-N 362.458 3.969 0 40 FHAB COc1ccc(C(=O)Nc2nnc(CCc3ccccc3)s2)cc1OC 1273592 HPIUFCVIOMZUQC-UHFFFAOYSA-N 369.446 3.593 0 40 FHAB C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCCC1=CCCCC1 25183944 DFCDXCUALPXJTC-AWEZNQCLSA-N 364.486 3.893 0 40 FHAB Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2cn3c(C)cccc3n2)o1 58428950 OIQJNMIIIOMCBS-IBGZPJMESA-N 359.433 3.634 0 40 FHAB Fc1ccc(N2CCN(Cn3nc(-c4ccccc4)[nH]c3=S)CC2)cc1 57395018 HXXQLZSEQGBOBB-UHFFFAOYSA-N 369.469 3.526 0 40 FHAB O=C(COC(=O)/C=C/c1ccc(Cl)c(Cl)c1)NCc1ccccc1 1779046 FIWFFFUTRCCZOT-VQHVLOKHSA-N 364.228 3.866 0 40 FHAB COc1ccc2nc(NC(=O)c3ccc(CN4CCCC4)o3)sc2c1 27984488 FOGMOJQFLWDMMT-UHFFFAOYSA-N 357.435 3.746 0 40 FHAB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)Nc1ccc3ccccc3c1)C(=O)C2 100843991 OELNENRGDZBHDO-UZLBHIALSA-N 357.475 3.977 0 40 FHAB CCCN(CC1CC1)C(=O)CSc1nnc(-c2cccs2)n1CC 3318198 NGEBGIWXDQVZSC-UHFFFAOYSA-N 364.540 3.767 0 40 FHAB Cc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1NC(=O)CN1CCCCC1 58208644 XPFVIAPHZIOQDP-QGZVFWFLSA-N 355.482 3.714 0 40 FHAB C[C@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1c(F)cccc1F 10842239 CVTCRWIZBGGISJ-NSHDSACASA-N 359.376 3.752 0 40 FHAB O=C(Cc1coc2ccc3ccccc3c12)Nc1ccc2[nH]c(=O)[nH]c2c1 12889136 HWENSRVCPHQYLN-UHFFFAOYSA-N 357.369 3.937 0 40 FHAB CCOC(=O)Cc1csc(NC(=O)c2cccc(Cl)c2Cl)n1 11169446 TZKNXBLTKYJHFT-UHFFFAOYSA-N 359.234 3.808 0 40 FHAB O=C(NCCc1ccc(Cl)cc1)c1ccc(OC[C@@H]2CCCO2)cc1 2661029 ZPDLBDLPYOJMET-IBGZPJMESA-N 359.853 3.870 0 40 FHAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NC1CCCC1 2649736 IZIXPEBRBRGHDE-UHFFFAOYSA-N 364.401 3.710 0 40 FHAB CC[C@@H]1CN(c2ncnc3c2oc2ccccc23)[C@H](CC)CN1C(C)=O 72310207 DLDJCWMYUVNOTC-HUUCEWRRSA-N 352.438 3.602 0 40 FHAB Cn1cc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c(=O)c2ccccc21 22234347 ZMXGGAPFMGAAJG-UHFFFAOYSA-N 364.298 3.949 0 40 FHAB CC(C)CNCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 6045870 HCFACJOZXLBUAP-QGZVFWFLSA-N 359.857 3.856 0 40 FHAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)NCc1ccco1 5185743 SOISPIQNTNBBDD-UHFFFAOYSA-N 361.401 3.525 0 40 FHAB CC(C)(C)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 14166421 KLAIONHKPLUDQQ-FQEVSTJZSA-N 368.502 3.989 0 40 FHAB CC[C@@H](C(=O)Nc1cccc2cccnc12)n1nnc(-c2ccsc2)n1 14242343 ZZKGNHAXKXFYAR-HNNXBMFYSA-N 364.434 3.540 0 40 FHAB CCOc1ccc(NC(=O)c2ccc(NC(=O)CNC(C)(C)C)cc2)cc1 9390225 WIOJAPKZIYFBFI-UHFFFAOYSA-N 369.465 3.664 0 40 FHAB CCN(CC)Cc1nnc2sc(COc3cccc4ccccc34)nn12 67239806 KLJBCCDJRVERQJ-UHFFFAOYSA-N 367.478 3.760 0 40 FHAB Cc1cc(C)cc(OC[C@@H](O)CSc2nnc(C)n2-c2ccccc2)c1 7034279 PCOHALIFWFFYRB-GOSISDBHSA-N 369.490 3.725 0 40 FHAB CCOc1cc(OC(=O)N(C)C)cc2oc(-c3ccccc3)cc(=O)c12 9418768 QDVYEGQEKVWCSH-UHFFFAOYSA-N 353.374 3.919 0 40 FHAB biogenic COc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](C)C(C)(C)C)cc1 80652644 KZTZFSGGYBEVQT-LBPRGKRZSA-N 362.499 3.557 0 40 FHAB C[C@H]1Oc2ccccc2N(CCC(=O)OCc2cccc(Cl)c2)C1=O 16191446 SOVZDUNXIXQGOX-CYBMUJFWSA-N 359.809 3.587 0 40 FHAB COCc1ccccc1CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 71913337 NEZFNPCCKBREPH-SFHVURJKSA-N 373.522 3.531 0 40 FHAB Cn1c(SCc2ccc(S(=O)(=O)C(F)F)cc2)nc2ccccc21 8723818 XRYMKYGEFSODHT-UHFFFAOYSA-N 368.430 3.862 0 40 FHAB CC(=O)Nc1ccc(CC(=O)NCc2ccc(C(F)(F)F)cc2)cc1 8708634 QHRMSMWSMXAZJK-UHFFFAOYSA-N 350.340 3.523 0 40 FHAB COc1ccc(-c2cccc([C@H]3CCCN(C(=O)c4cnccn4)C3)n2)cc1 72349197 KPXYZKYPCOPHGX-KRWDZBQOSA-N 374.444 3.567 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)NCc1nc(-c2ccc(C)cc2)no1 219583695 NNPNRXONVREWKC-MRXNPFEDSA-N 369.396 3.658 0 40 FHAB CCOC(=O)CC(P(=O)(OCC)OCC)P(=O)(OCC)OCC 34514121 ZTCYNURFGOPDSN-UHFFFAOYSA-N 374.307 3.798 0 40 FHAB CCn1nc(C)c(-c2nn3c(Cc4ccccc4Cl)nnc3s2)c1C 71288956 YDWMSISYCNESBD-UHFFFAOYSA-N 372.885 3.930 0 40 FHAB CC(C)[C@H](CNC(=O)c1ccc2ncn(C)c2n1)c1ccc(Cl)cc1 1568716781 QQKPUTZCJXTNJJ-HNNXBMFYSA-N 356.857 3.791 0 40 FHAB Cc1cccc(OCCCNC(=O)NCCCOc2cccc(C)c2)c1 40050758 CJEMGQJQUBMGIK-UHFFFAOYSA-N 356.466 3.841 0 40 FHAB O=C(Nc1ccnn1Cc1cccc(Br)c1)[C@H]1CC=CCC1 44532430 XJIUBSORHXMLRZ-AWEZNQCLSA-N 360.255 3.989 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 224734103 SUWIDBOWMPVMQI-LJQANCHMSA-N 366.505 3.789 0 40 FHAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 222815427 OYXHQSAPYUWHOB-RBUKOAKNSA-N 363.490 3.648 0 40 FHAB CN(c1ccccc1)c1ccccc1NC(=O)Cn1nnc2ccccc21 40114528 AVXPWLZVDXULMU-UHFFFAOYSA-N 357.417 3.838 0 40 FHAB O=C(Cc1cccc(Br)c1)NCCCc1ccc(F)cc1 225620361 RRTFLJAXMSKXLR-UHFFFAOYSA-N 350.231 3.880 0 40 FHAB Cc1ccc(NC(=S)NC2CCN(C3CCOCC3)CC2)c(Cl)c1 225213010 WYXQJNYFSBUEQY-UHFFFAOYSA-N 367.946 3.578 0 40 FHAB COc1ccc(-c2nc(CN3CCC[C@@H]3c3nonc3C)c(C)o2)cc1C 19218667 DXACVTXXWGZCSN-QGZVFWFLSA-N 368.437 3.996 0 40 FHAB CCN(c1ccc(C(=O)NC2CCCCCCC2)cc1)S(=O)(=O)CC 222398885 XDENZMRTPINFBR-UHFFFAOYSA-N 366.527 3.705 0 40 FHAB CCCO[C@@]1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCC[C@@H](C)C1 225662401 WDQAWAHBXDEBPP-UTKZUKDTSA-N 362.514 3.941 0 40 FHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1 224977525 BGBSVYPFXCZHID-RBUKOAKNSA-N 366.505 3.951 0 40 FHAB COc1ccc(CNC(=S)Nc2cccc(Cl)c2)c(OC)c1OC 44252158 GIINDIMCHDISDM-UHFFFAOYSA-N 366.870 3.852 0 40 FHAB Cc1cc([C@@H](O)CCNC(=O)c2ccccc2Br)c(C)o1 85561670 OVHAFQAJMCJQAN-HNNXBMFYSA-N 352.228 3.512 0 40 FHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)n1C 223377436 BLFDWNLUALGEFQ-WOJBJXKFSA-N 362.502 3.901 0 40 FHAB COc1ccc2cc(S(=O)(=O)NCCOc3cccc(C)c3)ccc2c1 225124447 AEMSUZYQWWMHFG-UHFFFAOYSA-N 371.458 3.514 0 40 FHAB O=C(Cc1cccc(Cl)c1)NCc1nc(-c2ccccc2Cl)no1 224610810 FYVXHWVJRIOYKY-UHFFFAOYSA-N 362.216 3.902 0 40 FHAB CCc1ccc(C(=O)Nc2ccc(C(=O)OCCN(CC)CC)cc2)cc1 96318746 IAPOILWXTGFCLV-UHFFFAOYSA-N 368.477 4.000 0 40 FHAB O=C(c1cccnc1)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257262016 LJRGUAIVVHJNGK-KRWDZBQOSA-N 365.408 3.819 0 40 FHAB CN1[C@@H]2CN(C(=O)COc3ccccc3Cl)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257343057 ZRHLRQUNAHOOMG-DEYWJSPQSA-N 362.901 3.583 0 40 FHAB CCc1ccccc1NC(=O)CNC(=O)c1cc2ccc(F)cc2nc1C 24977820 UPVSSKKSTNMXAN-UHFFFAOYSA-N 365.408 3.613 0 40 FHAB COCC(C)(C)N(Cc1ccccc1)C(=O)c1ncn2ccc(C)cc12 622847154 KMADGANSCHSAMA-UHFFFAOYSA-N 351.450 3.710 0 40 FHAB CC(C)(C(=O)N[C@H]1CCCOc2ccccc21)c1ccc2c(c1)OCCO2 624105692 HROSLSBBLPMBIU-KRWDZBQOSA-N 367.445 3.766 0 40 FHAB CC(C)CNS(=O)(=O)c1cc(Cl)c(Cl)cc1Br 1665978846 WLKPEVSYKJQISQ-UHFFFAOYSA-N 361.088 3.690 0 40 FHAB CCCCc1ccc(NC(=O)c2coc(NC(=O)c3cc(C)on3)n2)cc1 90583024 OZJRXBKIWRFHKO-UHFFFAOYSA-N 368.393 3.818 0 40 FHAB O=C(O)[C@@H]1CCN(C(=O)Nc2cccc3cccc(Br)c23)C1 952884229 LMWFVFHUUNZHLA-LLVKDONJSA-N 363.211 3.541 0 40 FHAB O=C(Nc1cccnc1N1CCOCC1)c1cc2c(s1)CCCCC2 56152338 LGFVIVUJYPJSGX-UHFFFAOYSA-N 357.479 3.501 0 40 FHAB CCCN(C(=O)c1ccc(-n2ccnc2)nc1)[C@H]1CCc2ccccc2C1 56352067 AIBHYWQZSMSZQO-FQEVSTJZSA-N 360.461 3.677 0 40 FHAB CNC(=O)[C@H]1CCCN(C(=O)N[C@@H](CC(C)C)c2ccc(Cl)cc2)C1 74483867 WWWKUDUTKRVINL-RDJZCZTQSA-N 365.905 3.595 0 40 FHAB FC(F)(F)c1ccc(NCc2ccccc2CN2CCOCC2)nc1 39982741 LFDVTLVXGCHRMM-UHFFFAOYSA-N 351.372 3.545 0 40 FHAB O=c1cc(-c2ccccc2)n2c(SCc3cccc(F)c3)nnc2[nH]1 5076093 JTLLTWRXBLNOFI-UHFFFAOYSA-N 352.394 3.516 0 40 FHAB Cn1ccc([C@@H]2CCCCCN2C(=O)c2cc(-c3ccccc3F)no2)n1 12119542 PYKKYFJTGQMNOS-SFHVURJKSA-N 368.412 3.972 0 40 FHAB CCc1nnc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)s1 12421761 XTIIOSLWVQCIIV-UHFFFAOYSA-N 361.430 3.963 0 40 FHAB O=C(Cn1c(-c2ccc(F)cc2)cc2cccnc21)NCc1cccnc1 12669687 XAJJDDJDGOSHRS-UHFFFAOYSA-N 360.392 3.554 0 40 FHAB COc1ccc([C@H](CNC(=O)Nc2ccc(F)cc2)N2CCCC2)cc1 12984508 ZRSSSISBNANAIM-IBGZPJMESA-N 357.429 3.793 0 40 FHAB O=C(O)c1ccc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)cc1 13344217 UQYOFILEEMXBJW-UKTHLTGXSA-N 352.777 3.692 0 40 FHAB CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=S)N[C@H]1c1ccccc1 16679943 NBVQYOPGXDRYMT-IBGZPJMESA-N 366.486 3.955 0 40 FHAB COc1ccc([C@@H]2CC(=O)c3cnn(-c4ccc(F)cc4)c3C2)c(OC)c1 17075201 QDLDKKFYUVWOCJ-ZDUSSCGKSA-N 366.392 3.941 0 40 FHAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3cccc(Cl)c3)n2)cc1 18008630 RLYQJKVTBOIZGO-UHFFFAOYSA-N 374.853 3.865 0 40 FHAB Cn1cc(-c2ccncc2)c([C@H]2CCCCN2C(=O)Cc2ccccc2)n1 19290064 GFTTXHDHPXPOSA-HXUWFJFHSA-N 360.461 3.778 0 40 FHAB CN1CCc2nc([C@@H]3CCCCN3Cc3ccc(Cl)c(F)c3)ncc2C1 19590326 BOMQWZNWDMCQGK-IBGZPJMESA-N 374.891 3.984 0 40 FHAB CC[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc(C(C)C)c2nncn2n1 19715228 WHRBQKFJOCALGL-QGZVFWFLSA-N 355.417 3.610 0 40 FHAB CCOC(=O)c1ccc2oc(-c3cc(OC)c(OC)c(OC)c3)nc2c1 226317561 GZPXEPVHFJUPHX-UHFFFAOYSA-N 357.362 3.697 0 40 FHAB O=S1(=O)[C@H](c2ccccc2)CCN1Cc1cc(F)ccc1OC(F)F 664042118 WIKOMYZJQFEJJA-INIZCTEOSA-N 371.380 3.704 0 40 FHAB CC(C)Oc1ccc(C(=O)N2CCC(N(C)c3ccccn3)CC2)cc1 1889149236 XOBYTRYTJYMJHL-UHFFFAOYSA-N 353.466 3.610 0 40 FHAB COc1ccc(NS(=O)(=O)c2cc(Br)ccc2C)cc1 7417332 NRDFMFVCNUYWJZ-UHFFFAOYSA-N 356.241 3.567 0 40 FHAB COc1ccc(Cc2nc(-c3ccc(Br)o3)no2)cc1OC 1444418 XLQYXDKPOKZZLO-UHFFFAOYSA-N 365.183 3.700 0 40 FHAB COc1ccc(CCC(=O)Nc2ccc3c(c2)CCCN3C(C)=O)cc1 5373580 QKPIGJNBVAAOGC-UHFFFAOYSA-N 352.434 3.566 0 40 FHAB CCCN1CCCc2cc(CCNC(=O)COc3ccccc3F)ccc21 11612976 HBHVPKKJACAJLW-UHFFFAOYSA-N 370.468 3.726 0 40 FHAB C[C@@H]1Nc2ncnn2[C@@H](c2ccccc2)[C@@H]1C(=O)Nc1ccc(Cl)cc1 11694758 PPYDHAFKAWNMRG-VUCTXSBTSA-N 367.840 3.590 0 40 FHAB COC(=O)c1ccc(C(=O)N(Cc2cccs2)Cc2cccn2C)cc1 49026665 JRDLSODEMRFZQZ-UHFFFAOYSA-N 368.458 3.716 0 40 FHAB O=C(NC[C@](O)(c1ccsc1)c1ccco1)C1(c2ccc(F)cc2)CC1 245026550 NACLBDLACGROLD-FQEVSTJZSA-N 371.433 3.564 0 40 FHAB Cc1nnc(SCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)s1 40057293 ZVKQPFFFKYLRRX-UHFFFAOYSA-N 371.491 3.640 0 40 FHAB CCO[C@@H](C)C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 40093183 OZSVRMCCPRMYAC-KRWDZBQOSA-N 363.461 3.923 0 40 FHAB CCOC(=O)c1cc2cc(NC(=O)N3CCSCC3)ccc2s1 40121007 WUDCRQWYCKECEN-UHFFFAOYSA-N 350.465 3.659 0 40 FHAB COc1cc(C(=O)Nc2nc(-c3ccco3)cs2)cc(OC)c1OC 40111384 RQKGELCJDOSMLJ-UHFFFAOYSA-N 360.391 3.681 0 40 FHAB CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccccc2)n2ncnc2N1 40484534 UUENRPVJVNYFGM-KRWDZBQOSA-N 365.824 3.859 0 40 FHAB CC(C)(C)C(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 21111602 VMAGDMDGZIYGKP-UHFFFAOYSA-N 354.273 3.942 0 40 FHAB CCn1cc(C(=O)NCc2ccc(N3CCCC3=O)cc2)c2ccccc21 32787760 VLPFLCPEWPCPOT-UHFFFAOYSA-N 361.445 3.718 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)CSc1nncn1Cc1ccco1 32869304 UJHZATNSLFGFEF-UHFFFAOYSA-N 352.419 3.684 0 40 FHAB Cc1nc(/C=C2/C(=O)N(Cc3ccccn3)C(=O)c3ccccc32)cs1 33039475 GISYGAOQIXOSAU-VCHYOVAHSA-N 361.426 3.570 0 40 FHAB C[C@@H](C(=O)Oc1ccc(C(C)(C)C)cc1)N1C(=O)c2ccccc2C1=O 948261 FLIHIGOPYRUHLV-ZDUSSCGKSA-N 351.402 3.574 0 40 FHAB CCOc1ccc(-c2cc(C)n3nc(C(=O)NC(C)(C)C)cc3n2)cc1 1001182 BVDZZHNCQLMMBF-UHFFFAOYSA-N 352.438 3.632 0 40 FHAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(N2C(=O)CCC2=O)cc1 1518552 ZWFCTSREVBEBST-UHFFFAOYSA-N 370.408 3.844 0 40 FHAB Cc1c(Cl)cccc1NC(=O)COC(=O)COc1ccc(Cl)cc1 1941412 JKXCAYVTTVRPEO-UHFFFAOYSA-N 368.216 3.863 0 40 FHAB COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(C(C)C)cc2)ccc1O 3292277 HSJPBTCAOUHFNW-VZUCSPMQSA-N 369.417 3.719 0 40 FHAB COc1cccc(C(=O)Nc2ccc(-n3nncc3C(C)(C)C)cc2)c1 3582135 SBRCGIPFWNUALP-UHFFFAOYSA-N 350.422 3.826 0 40 FHAB CC(=O)N[C@@H](CC(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1 3603073 OOMWZRKYNZWPQV-KRWDZBQOSA-N 365.260 3.877 0 40 FHAB O=C(O)c1ccc2c(=O)n(-c3cccc(C(F)(F)F)c3)c(=S)[nH]c2c1 3632925 IMGISQRHNZDEOF-UHFFFAOYSA-N 366.320 3.765 0 40 FHAB CCSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1 4062228 LLRQUFHFBWFJII-UHFFFAOYSA-N 368.487 3.804 0 40 FHAB COc1ccccc1C1=N/C(=C\c2ccc(Br)cc2)C(=O)O1 4589627 NCGFUGZUNKGHCC-UVTDQMKNSA-N 358.191 3.802 0 40 FHAB COc1ccc([C@H](OC(=O)c2cccs2)C(=O)NC2CCCC2)cc1 4889868 FNOZXGAEHDLFHH-KRWDZBQOSA-N 359.447 3.714 0 40 FHAB COc1ccc(NC(=O)[C@H]2CCCN(c3nc(C)cc(C)n3)C2)cc1Cl 4967692 ARFOJGJPXJIPKW-AWEZNQCLSA-N 374.872 3.611 0 40 FHAB CCOc1ccccc1NS(=O)(=O)c1cccc(Br)c1 5127000 QJYIXNYGNPXTBQ-UHFFFAOYSA-N 356.241 3.649 0 40 FHAB CC[C@H](C)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccc(Cl)cc1 5431437 AFASFBTYVYASHR-LKFCYVNXSA-N 351.859 3.988 0 40 FHAB CCO/C=C1/C(=O)N(c2ccc(Cl)cc2)C(=O)c2cc(OC)ccc21 5574621 LIIVRGKRGGOKTM-GZTJUZNOSA-N 357.793 3.913 0 40 FHAB Cc1cc(C)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)c1 5610320 NYCYFEWUUAMAOM-NSHDSACASA-N 351.324 3.905 0 40 FHAB CC(=O)c1cccc(NCC(=O)Nc2ccc(Br)cc2F)c1 5687582 RQELWMRIVKZGRO-UHFFFAOYSA-N 365.202 3.841 0 40 FHAB Cc1cc(C)cc(-c2nnc(SCc3cc(=O)n4ccsc4n3)o2)c1 5794593 GUWBWIUOBOGOHU-UHFFFAOYSA-N 370.459 3.715 0 40 FHAB O=C(Cc1ccc(Cl)c(Cl)c1)NCC(=O)Nc1ccc(F)c(F)c1 6287780 AXGBRMDXOOXGBT-UHFFFAOYSA-N 373.186 3.569 0 40 FHAB O=C(/C=C/c1nc2ccccc2s1)Nc1ccccc1N1CCOCC1 6347138 BRLSWOXHOLIETF-MDZDMXLPSA-N 365.458 3.785 0 40 FHAB CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@H]1c1ccc(O)c(OCC)c1 6747896 CMHSRUSSCNGPLX-LJQANCHMSA-N 367.405 3.729 0 40 FHAB COCc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 7106631 CJAHTKXMMYSMND-UHFFFAOYSA-N 358.869 3.757 0 40 FHAB Cc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1C1CC1 7617208 ALORJTWJJMYKED-UHFFFAOYSA-N 356.373 3.671 0 40 FHAB O=C(CSc1nnc(-c2cccnc2)o1)N(C1=CCCCC1)C1CC1 7719509 DMKFKAGLMRPSJG-UHFFFAOYSA-N 356.451 3.673 0 40 FHAB CCOc1ccccc1N1C[C@H](C(=O)Oc2cc(C)ccc2C)CC1=O 7929377 JZOGWRFKYUQOIO-MRXNPFEDSA-N 353.418 3.661 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)N2CC[C@@H]3CCCC[C@H]3C2)o1 8277259 JTUPXXKTWOKBQP-KBPBESRZSA-N 361.467 3.769 0 40 FHAB CCN(Cc1cccs1)C(=O)CSc1nnc(C)n1-c1ccccc1 8487608 WLYXGLLEBSBEQN-UHFFFAOYSA-N 372.519 3.778 0 40 FHAB Cc1nnc2sc(-c3cccc(NC(=O)/C=C/c4ccccc4)c3)nn12 9184289 SCQFCPOEDDTLPN-ZHACJKMWSA-N 361.430 3.813 0 40 FHAB Cc1ccc(-n2ccnc(SCC(=O)c3ccc(F)cc3)c2=O)cc1 9320345 JACIFZHDVWRWME-UHFFFAOYSA-N 354.406 3.655 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(OC(F)F)cc2)c1C 9364003 ZTMFSDFIBHURTD-UHFFFAOYSA-N 350.365 3.708 0 40 FHAB O=C(Cc1ccc(Cl)cc1)NCCOc1ccc(-c2cccs2)nn1 9853329 YSMJIUSQQOPZIR-UHFFFAOYSA-N 373.865 3.596 0 40 FHAB CCN(CC(=O)NC(C)(C)C)C(=O)c1sc(-c2cccs2)nc1C 10021349 BJPXMHJRYUVISU-UHFFFAOYSA-N 365.524 3.557 0 40 FHAB O=C(CSc1nnc(Nc2ccc(F)cc2)s1)N1CCCCC1 10345101 QHUKDBRJDCRAPW-UHFFFAOYSA-N 352.460 3.525 0 40 FHAB Cc1ccoc1C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 11767170 ZPFYFAZBMINVEK-UHFFFAOYSA-N 353.447 3.855 0 40 FHAB O=C(Cc1c(F)cccc1Cl)N1CCC(n2cnc3cccnc32)CC1 12114689 OZIUSQPINCIHMC-UHFFFAOYSA-N 372.831 3.630 0 40 FHAB CCn1c(N2CCC(C(=O)NC3CCCCC3)CC2)nc2ccccc21 12116367 UHSSRRPBJKBQNH-UHFFFAOYSA-N 354.498 3.722 0 40 FHAB CCOc1ccc(C(=O)N[C@@H]2CCCc3nc(-c4ccncc4)ncc32)cc1 12275684 JSBQACSTLMPAQO-HXUWFJFHSA-N 374.444 3.745 0 40 FHAB Cc1cc(C(=O)N(Cc2cccnc2)c2nc3ccc(F)cc3s2)on1 12422306 RSNGHOWMCSEBHN-UHFFFAOYSA-N 368.393 3.974 0 40 FHAB CCN1C[C@H](CN(C)C(=O)c2cc3cc(F)ccc3[nH]2)Oc2ccccc21 12540898 UGDDERJEPTVNCU-INIZCTEOSA-N 367.424 3.667 0 40 FHAB Cc1ccc(CN2C[C@@H](C(=O)OCc3ccccc3Cl)CC2=O)cc1 12569783 JZQLUQTWRWTEML-KRWDZBQOSA-N 357.837 3.740 0 40 FHAB O=C(Cc1ccccc1)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 12779870 CCWYXSQDRWGYBR-UHFFFAOYSA-N 351.233 3.681 0 40 FHAB COc1cc(CN(Cc2ccccc2OC)C[C@H]2CCCO2)ccc1O 13995119 WCEIINAPCIWBDH-GOSISDBHSA-N 357.450 3.591 0 40 FHAB COc1ccc(NC(=O)Cn2c(-c3ccc(C)cc3)n[nH]c2=S)cc1 14244991 IAIRJTCIRXMYEN-UHFFFAOYSA-N 354.435 3.563 0 40 FHAB Cc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(Br)cc1 16087326 UOOVXORHTINFJU-LBPRGKRZSA-N 354.269 3.797 0 40 FHAB CC[C@H](OC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1cc(C)on1 16118701 NVUJCSXQDMRCPN-LBPRGKRZSA-N 357.193 3.864 0 40 FHAB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1F)C2(c1ccccc1)c1ccccc1 17723279 CNPVNARTQLVODB-BGYRXZFFSA-N 357.384 3.931 0 40 FHAB C[C@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccc(-n2ccnc2)cc1 18048783 JPGAMBDDWMXFDL-DJJJIMSYSA-N 367.836 3.707 0 40 FHAB COc1ccc(CCC(=O)Nc2nnc(-c3ccccc3)s2)cc1OC 18702789 UVKJBMYOEXBYPJ-UHFFFAOYSA-N 369.446 3.794 0 40 FHAB CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)CC(C)(C)C 19017689 KRZBGJTUMUKTFR-QWFCFKBJSA-N 360.473 3.567 0 40 FHAB CCCC(=O)Nc1ccc(-c2nc3ccccc3o2)c(OCC(=O)O)c1 20158068 KLLSVJFZCJJBPH-UHFFFAOYSA-N 354.362 3.697 0 40 FHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(OC(C)C)cc1 20456431 UUGVYXOWSHWNQB-HXUWFJFHSA-N 357.450 3.956 0 40 FHAB Cc1nccn1-c1ccc(CNC(=O)CSCc2ccccc2)cc1 20459248 GWXSKVJFNZZOJN-UHFFFAOYSA-N 351.475 3.730 0 40 FHAB O=c1c(C[P@@](=O)(O)CCc2ccccc2)cc2cccc3c2n1CCC3 20731821 CJEUQGMRHKQDRR-UHFFFAOYSA-N 367.385 3.961 0 40 FHAB CCOC(=O)c1ccc(OCc2nc(-c3ccccc3OC)no2)cc1 22709565 IVWBOXGZLULFFH-UHFFFAOYSA-N 354.362 3.501 0 40 FHAB C[C@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1ccc(Cl)c(Cl)c1 23075117 WLHMNNWEOGRRNN-QFYYESIMSA-N 364.228 3.952 0 40 FHAB CCSc1ccccc1C(=O)NCc1cc(OC)c(OC)c(OC)c1 23695071 AHIMATMGOWJKMG-UHFFFAOYSA-N 361.463 3.754 0 40 FHAB COc1cccc(N2C[C@H](C(=O)Nc3ccc(C)cc3Cl)CC2=O)c1 24832630 HYLAGSMKRJUPHC-CYBMUJFWSA-N 358.825 3.649 0 40 FHAB COc1ccccc1NC(=O)CCN1CCC(C(=O)c2ccccc2)CC1 25946766 UQHGMHLDMXAZBH-UHFFFAOYSA-N 366.461 3.619 0 40 FHAB C[C@@H]1Oc2ccc(NC(=O)CCC(=O)c3ccc(Cl)cc3)cc2NC1=O 30560354 LGPLOZPLAAMBSY-NSHDSACASA-N 372.808 3.661 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 30852832 SCCUTHVRQJSUOC-GOSISDBHSA-N 356.397 3.749 0 40 FHAB O=C(Nc1ccc(F)cc1F)c1cnn2c(-c3cccs3)ccnc12 32652424 CYZVEOLMEHUZOQ-UHFFFAOYSA-N 356.357 3.988 0 40 FHAB COc1ccc(O)c(C(=O)O[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)c1 32947131 LPVDVIXYYBPAHH-CSNVJCEJSA-N 358.434 3.732 0 40 FHAB O=C1CC(c2ccc(Br)cc2)CC(=O)N1Cc1ccccc1 34936198 XPJXOLDFVQZBHU-UHFFFAOYSA-N 358.235 3.882 0 40 FHAB COc1ccc2[nH]cc(C(=O)[C@H](C)N3CCN(c4ccccc4)CC3)c2c1 35999864 PWTBVEIXFWKGJX-INIZCTEOSA-N 363.461 3.570 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)CSCc1nc(-c2cccs2)no1 36398619 YVZOFAFNWLIFJW-NEPJUHHUSA-N 351.497 3.726 0 40 FHAB Cc1cc(NC(=O)NC2CCN(C3CC3)CC2)ccc1Br 40097462 WXKFTMXVMXILLG-UHFFFAOYSA-N 352.276 3.506 0 40 FHAB CCN(Cc1ccc(Cl)s1)C(=O)c1csc(-c2ncccn2)n1 40146571 QEAFFAQGDGZSNE-UHFFFAOYSA-N 364.883 3.977 0 40 FHAB COc1ccc(C)cc1NC(=O)N(C)Cc1cc(=O)[nH]c2ccccc12 41077070 PNMCPRIUFILJCQ-UHFFFAOYSA-N 351.406 3.509 0 40 FHAB COc1cccc(-c2noc(CCC(=O)N[C@@H](C)c3ccccc3)n2)c1 41185242 AAJQZISNZWWRGP-AWEZNQCLSA-N 351.406 3.555 0 40 FHAB COc1ccc2nc(C(=O)Nc3ccc(F)c(NC(C)=O)c3)ccc2c1 42664963 NWDRRJGBDVNLHG-UHFFFAOYSA-N 353.353 3.593 0 40 FHAB COc1ccc(NC(=O)Cc2c(C)n[nH]c2-c2ccc(OC)cc2)cc1 44916978 JILHCVWWDXDOCR-UHFFFAOYSA-N 351.406 3.584 0 40 FHAB Cc1cccc(C)c1OCCC(=O)N(C)Cc1cnn(-c2ccccc2)c1 48313821 GSOWLBGYKFLYEH-UHFFFAOYSA-N 363.461 3.917 0 40 FHAB CC[C@H]1CCCCN1C(=O)CN1CCC[C@@H]1c1ccc(OC)cc1OC 48332855 LDQPQUBLCKHCJX-QFBILLFUSA-N 360.498 3.632 0 40 FHAB Cc1ccc(-n2nnc(C(=O)NCc3ccccc3F)c2C)cc1Cl 51317795 VXMBFANKVMXOOE-UHFFFAOYSA-N 358.804 3.607 0 40 FHAB CCOc1ccccc1NC(=O)Cn1c(-c2ccc(C)cc2)n[nH]c1=S 52818514 RGRJSYKUNMSXRL-UHFFFAOYSA-N 368.462 3.954 0 40 FHAB Cc1ccc(C(=O)NC2CC2)cc1NCc1nc(-c2cccs2)no1 55858495 IYDPKTRVUKSTCA-UHFFFAOYSA-N 354.435 3.611 0 40 FHAB Cc1ccc(F)cc1NC(=O)[C@H](C)Sc1nnc(OC(C)C)s1 58193301 LAQXEBQZPVUIJT-JTQLQIEISA-N 355.460 3.892 0 40 FHAB CCN(C(=O)c1cccc(N2C(=O)CCC2=O)c1)c1cc(C)cc(C)c1 58713811 IZTFUHVACOSNRI-UHFFFAOYSA-N 350.418 3.624 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3)o2)cc1C 59200412 CORDLYVJYLDEMM-UHFFFAOYSA-N 369.446 3.996 0 40 FHAB O=c1c2cc(-c3ccc(F)cc3)nn2cnn1Cc1ccc(F)cc1Cl 67260028 XJOHHZCVCZDQEY-UHFFFAOYSA-N 372.762 3.538 0 40 FHAB CCc1ccc(-n2cc(C(=O)N3CCC(Cc4ccccc4)CC3)nn2)cc1 67263209 WDDGSURIEUSGGS-UHFFFAOYSA-N 374.488 3.925 0 40 FHAB CCNC(=O)N[C@H]1C[C@@H](Cc2cc(COc3ccccc3)on2)C1(C)C 67889979 OZGCHFNUMZFKNK-KDOFPFPSSA-N 357.454 3.530 0 40 FHAB biogenic,in-vitro CNc1snc(C)c1C(=O)NCc1cccc(COCc2ccco2)c1 70007815 WFLDSMLZLYWGNW-UHFFFAOYSA-N 371.462 3.733 0 40 FHAB Cc1nc(-c2ccc(C)c(NC(=O)Cc3csc(C(C)C)n3)c2)n[nH]1 72313230 UEQOIOMKXDRSKI-UHFFFAOYSA-N 355.467 3.850 0 40 FHAB O=S(=O)(Cc1ccc(Br)cc1F)NC1CCCCCC1 72318861 FYGCPPOQXXSCSF-UHFFFAOYSA-N 364.280 3.730 0 40 FHAB NN1C(c2cccc(Br)c2)=CN2CC=CC(C(F)(F)F)=C21 75629704 IPDKUABWEDHYHI-UHFFFAOYSA-N 358.161 3.583 0 40 FHAB CCc1ccc(C(C)(C)CNC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cc1 80215617 QLLCRTHWYWUPLO-QGZVFWFLSA-N 354.498 3.839 0 40 FHAB O=C1C[C@@H](NC(=O)C2(c3ccccc3F)CCCC2)CN1c1ccccc1 84549309 YTUPZZFHOXPERK-MRXNPFEDSA-N 366.436 3.559 0 40 FHAB CC(C)Cc1nnc([C@H](C)N2CCN(Cc3ccc(Cl)s3)CC2)o1 95956609 PIGBIKHPFFQPLV-ZDUSSCGKSA-N 368.934 3.862 0 40 FHAB COc1cccc(C(=O)N2CCN(Cc3cc4ccccc4s3)CC2)c1 95982661 WVHJHFOIHCWLEM-UHFFFAOYSA-N 366.486 3.868 0 40 FHAB CN(Cc1cccs1)C1CC2(CCN(C(=O)c3cccn3C)CC2)C1 96159281 MOSSBSCCKAOZIZ-UHFFFAOYSA-N 357.523 3.603 0 40 FHAB Cc1cccc(CN2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)n1 96239610 FATVPHHEOZMEKI-LJQANCHMSA-N 358.436 3.523 0 40 FHAB CCC(=O)N1CCC2(CC1)C[C@H](CC(=O)N(CC)CC)c1ccccc1O2 96243273 SBSXICBZAWGWBS-KRWDZBQOSA-N 372.509 3.582 0 40 FHAB O=C(CSc1nnc(-c2ccc(Cl)cc2)[nH]1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100276246 CHWABAWPEQSGGM-MPKXVKKWSA-N 362.886 3.522 0 40 FHAB Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 104739801 YIWMSWDMMHRENB-XPYUAMARSA-N 368.525 3.767 0 40 FHAB Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(O)cc3)C2=O)cc1 106781291 GXDRAJUJUCFVGU-ATVHPVEESA-N 355.415 3.816 0 40 FHAB O=C(NCCSc1nc(-c2ccccc2)n[nH]1)c1ccc(Cl)cc1 222942924 SDPGZLBHJFCQIG-UHFFFAOYSA-N 358.854 3.647 0 40 FHAB COc1ccc(/C=C/C(=O)NC[C@@H](C)c2ccccc2)c(OC)c1OC 223451299 KRLCUHKWKNFHQX-HFBDAHEESA-N 355.434 3.646 0 40 FHAB COc1cccc(O[C@@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)c1 224097026 LFRWKLUQSIHIND-LBPRGKRZSA-N 355.419 3.620 0 40 FHAB Cc1ccc(OCCNC(=O)c2ccc(Cn3ccnc3)cc2)cc1Cl 224188879 MLQDDNASVUMILZ-UHFFFAOYSA-N 369.852 3.702 0 40 FHAB CC(C)Sc1nnc(NS(=O)(=O)c2ccc3ccccc3c2)s1 224264404 LDKYZDYSHFZFIY-UHFFFAOYSA-N 365.505 3.993 0 40 FHAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 225410606 BRJIQIZAEGEVAT-MRXNPFEDSA-N 372.896 3.663 0 40 FHAB O=C(COc1cccc2c1CCCC2)Nc1ccc(N2CCCC2=O)cc1 225883569 GMQQPVWPGNXWNM-UHFFFAOYSA-N 364.445 3.710 0 40 FHAB Cc1cccc(OCC(=O)Nc2cc(N)ccc2N2CCC(C)CC2)c1 226253379 UOZRARNVPVQPIH-UHFFFAOYSA-N 353.466 3.831 0 40 FHAB CCN(CC)c1ccc(-c2nn3c(C)nnc3s2)cc1Br 226332228 ZWABCWYHAFJGQR-UHFFFAOYSA-N 366.288 3.770 0 40 FHAB CCn1ccc(NC(=O)C(C)(C)Oc2nn(-c3ccccc3)cc2Cl)n1 227153781 JLTITNRKHSOBFL-UHFFFAOYSA-N 373.844 3.538 0 40 FHAB CC(C)(C)OC(=O)Nc1noc(C(C)(C)C)c1I 228961159 DEZNNTCRPFPIEI-UHFFFAOYSA-N 366.199 3.924 0 40 FHAB O=c1c(=Cc2ccc(Cl)cc2)sc2nc(-c3cccc(Cl)c3)nn12 254555731 HHBJTZXSYNOYHU-UHFFFAOYSA-N 374.252 3.673 0 40 FHAB CC(C)(C)C(=O)N1CC[C@@H](Cc2ccc(-c3ccccc3C(=O)O)nc2)C1 257213891 CJNXIWKUVAVENV-INIZCTEOSA-N 366.461 3.884 0 40 FHAB CNc1cccc([C@H]2CN(C(=O)c3cc4ccccc4s3)CCO2)n1 257234335 GTAPVQQFMQKTCG-OAHLLOKOSA-N 353.447 3.552 0 40 FHAB O=C(N1CCCC1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 257295604 QZCZEXXDPSTHCD-UHFFFAOYSA-N 350.462 3.710 0 40 FHAB Cc1c(Cl)cccc1S(=O)(=O)NC(=O)c1cccc(-n2cccc2)c1 257298956 ROBIXDLPAXVWNZ-UHFFFAOYSA-N 374.849 3.558 0 40 FHAB CC(C)[C@@H](NC(=O)c1cc(=O)n(C)c2ccccc12)c1nc2ccccc2[nH]1 575443316 XWAHXYHHNGRNHR-HXUWFJFHSA-N 374.444 3.542 0 40 FHAB O=C(NC[C@@H](c1ccsc1)n1cccn1)c1nc2ccccc2s1 575614611 YQHOYRKEBQDMCD-AWEZNQCLSA-N 354.460 3.574 0 40 FHAB CC(C)(C)OC(=O)N1CCC(CC(=O)NCc2cncc(C3CC3)c2)CC1 575621340 VFNCUTSBFWIXNI-UHFFFAOYSA-N 373.497 3.612 0 40 FHAB O=C(O)[C@@H](c1ccccc1C(F)(F)F)N1CC[C@@H](c2cccnc2)C1 583818344 XROIIRLKYMNEED-CZUORRHYSA-N 350.340 3.716 0 40 FHAB Cc1cccc(CN2CCC3(CCN(C(=O)c4ccsc4)CC3)C2=O)c1 585099772 OTGSSRWEEFUTBN-UHFFFAOYSA-N 368.502 3.711 0 40 FHAB c1cncc(COCC[C@@H]2CCOC23CCN(Cc2ccoc2)CC3)c1 585105492 XVTAPJISRVRBAD-HXUWFJFHSA-N 356.466 3.653 0 40 FHAB C[C@@H](N)[C@H]1CN(c2ncnc3cc(-c4ccc(Cl)cc4)sc23)CCO1 643017974 UOZWFSSZDCBKOF-IAQYHMDHSA-N 374.897 3.564 0 40 FHAB Cn1ccnc1[C@@H]1OCC[C@H]1CN[C@H]1CC(C)(C)Oc2cc(F)ccc21 658273694 DIHJPLPJOXMEIS-QANKJYHBSA-N 359.445 3.529 0 40 FHAB CCn1ccnc1[C@@H]1OCC[C@H]1CNc1nccc2c(OC)cccc12 664378894 DJWSBVAWBNTQEP-KBXCAEBGSA-N 352.438 3.650 0 40 FHAB Cc1noc(C)c1[C@@H](C)C(=O)NCc1c(C(=O)O)sc2ccccc12 676018441 HXACUMULRNJDJQ-SECBINFHSA-N 358.419 3.624 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(-c4ccco4)nn3C)cc2)n1 1324759016 CRDCDNNVJWTGPD-UHFFFAOYSA-N 361.405 3.735 0 40 FHAB Cc1ccc2c(c1)S[C@H](C(=O)N1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C)C2 1325041797 KQHKVLTXIRLXOS-MPGHIAIKSA-N 374.550 3.506 0 40 FHAB CCSCc1nnc2sc(COc3ccc(Cl)c(C)c3)nn12 1775972116 GPNJDKNGPDENSQ-UHFFFAOYSA-N 354.888 3.980 0 40 FHAB Cn1c(SCCCC(=O)c2ccc(F)cc2)nnc1-c1ccncc1 2726515 YBZGDMVRBBGYQY-UHFFFAOYSA-N 356.426 3.771 0 40 FHAB NC(=O)[C@H](c1ccc(Cl)cc1)c1ccc(Sc2ccccc2)nn1 1401088 LQYREYJOGBDEBY-QGZVFWFLSA-N 355.850 3.898 0 40 FHAB CCCn1c(NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)nc2ccccc21 22233126 XIWWSTOXRFVVKC-UGSOOPFHSA-N 351.406 3.613 0 40 FHAB C[C@H](NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)c1ccccc1 2940088 DLCCUHZGZIOGSR-QFBILLFUSA-N 352.434 3.665 0 40 FHAB CC(=O)C1=NN(c2ccccc2)[C@@]2(SCC(=O)N2c2ccccc2)S1 624389 YRTPIDRFTQCOMM-SFHVURJKSA-N 369.471 3.534 0 40 FHAB Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2)cc1 4858200 YHEQVPNGNDZSSY-JSJNYSNDSA-N 372.424 3.559 0 40 FHAB Cc1cc(NC(=O)CN[C@H](c2ccc3c(c2)CCC3)c2cccs2)no1 53814204 PEZNDCZIWWENKC-HXUWFJFHSA-N 367.474 3.851 0 40 FHAB CN(C)C(=O)c1cccc(CNCc2csc(Br)c2)c1 42201727 MMGWYSXJPPRNNF-UHFFFAOYSA-N 353.285 3.502 0 40 FHAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 7050571 PZCAIIRMXNFCMO-UHFFFAOYSA-N 373.352 3.601 0 40 FHAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2cccc(OC)c2)CC1=O 7928217 HFIFHFVXTSSYBB-QGZVFWFLSA-N 366.461 3.812 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 8015173 PICZWWPKQBWXAF-MRXNPFEDSA-N 358.869 3.765 0 40 FHAB CCOc1c(Cl)cc(C(=O)N2CCN(c3ccccc3)CC2)cc1OC 8203356 PWAPTGARTZIYLR-UHFFFAOYSA-N 374.868 3.710 0 40 FHAB COCc1c(C(=O)n2cccc/c2=N\C(C)C)sc2cccc(F)c12 23198106 KTYFPXMHLDCVGP-LTGZKZEYSA-N 358.438 3.986 0 40 FHAB CC(C)c1cccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1 23454157 ZZHSLTJYTIUUKW-UHFFFAOYSA-N 358.825 3.828 0 40 FHAB COc1cc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)cc(OC)c1OC 1020954 DRFXSERGCZYKBK-VGOFMYFVSA-N 373.792 3.710 0 40 FHAB O=C(Nc1cc(Cl)cc(Cl)c1)c1coc(=O)c(Br)c1 1250535 QXLZTCJIELSJOH-UHFFFAOYSA-N 362.994 3.961 0 40 FHAB O=C(CCNC(=O)Nc1ccccc1)N[C@@H]1CCSc2ccccc21 9515137 IDRHVKKZWNTOQT-MRXNPFEDSA-N 355.463 3.552 0 40 FHAB Cc1cc(SCC(=O)NC(=O)NCc2ccccc2)nc2ccccc12 12546777 PITFUBARPUTJQU-UHFFFAOYSA-N 365.458 3.661 0 40 FHAB O=C1NC(=O)/C(=C\c2ccc(OCc3cnc(Cl)s3)cc2)S1 1406055 UVSWVBYVDOXGHP-VZUCSPMQSA-N 352.824 3.699 0 40 FHAB C[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(F)c(F)c1 25457123 JWOODKWBCOAMFW-CYBMUJFWSA-N 358.388 3.578 0 40 FHAB CC1(C)CC(NC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)CC(C)(C)N1 56780770 JJXKMGOADLUITM-GOSISDBHSA-N 361.505 3.851 0 40 FHAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)[C@H]3C[C@H]3C)ccc21 3235112 OOCHUSKUGZRVDS-CJNGLKHVSA-N 350.418 3.952 0 40 FHAB Clc1cccc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)c1 57423173 VRFZDASNWWPZJI-UHFFFAOYSA-N 352.869 3.848 0 40 FHAB CCCCc1ccc(NC(=O)CSc2nc(=O)c3[nH]c(C)cc3[nH]2)cc1 57521112 MRLVFTXGMRQHDC-UHFFFAOYSA-N 370.478 3.633 0 40 FHAB Cc1nc2sccn2c1C(=O)C(=O)Nc1nc(-c2ccccc2)cs1 3254122 KHNPPUCHAQUOTJ-UHFFFAOYSA-N 368.443 3.649 0 40 FHAB NC(=O)c1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1 28250151 QXRDUKKIQBIBLC-UHFFFAOYSA-N 359.179 3.547 0 40 FHAB CCn1cc(C(=O)NCc2ccc(F)cc2)c(=O)c2cc(Cl)ccc21 22235053 GSXMWIOABAXQNT-UHFFFAOYSA-N 358.800 3.744 0 40 FHAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(SC)cc2)cc1C 20029911 ZKESEILMRFWBNR-CYBMUJFWSA-N 351.493 3.765 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1Cl 12602175 IIZKKTOGIIIAGQ-SOZJPDODSA-N 372.808 3.720 0 40 FHAB COc1ccc(C[C@H](C)N(C)C(=O)c2cc(C)nc3onc(C)c23)cc1 58218565 DACZFELHXBXOAJ-ZDUSSCGKSA-N 353.422 3.551 0 40 FHAB C[C@H]1CN(C(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)CCO1 12749471 DYTSTSWLVCYGIS-ZDUSSCGKSA-N 371.824 3.647 0 40 FHAB COc1ccccc1[C@@H](C)NCC(=O)NCC12CC3CC(CC(C3)C1)C2 58164910 XRVNXCDENIJBFY-NOCBQHASSA-N 356.510 3.678 0 40 FHAB Cc1ccc(C[C@@H](CCN2C(=O)CCC2=O)[C@@H]2CCOC(C)(C)C2)cc1 2295940 YZZPUNIKSFOYEO-RTBURBONSA-N 357.494 3.898 0 40 FHAB Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCc2ccccc21 10752852 IVJQEICBRGRRQO-HNNXBMFYSA-N 366.280 3.723 0 40 FHAB COc1ccc(Cl)cc1NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 11125488 MQFSJBBFHKGQSK-GFCCVEGCSA-N 373.840 3.524 0 40 FHAB CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@H]1c1ccc(C)cc1 2487160 ATDBHRVEDAQHAD-HOCLYGCPSA-N 358.463 3.597 0 40 FHAB COC(=O)c1cc(NC(=O)c2cc(-c3cccc(F)c3)no2)ccc1F 36760419 BLVWPZJLPZXCBT-UHFFFAOYSA-N 358.300 3.659 0 40 FHAB C[C@H](NC(=O)COC(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1 3434630 AKBCUSBVLZETBG-LBPRGKRZSA-N 366.244 3.957 0 40 FHAB CCOc1ccc(CN(C)CC(=O)N[C@@H]2CCCc3ccccc32)cc1 3413899 JQCZDIYTUGLVAV-OAQYLSRUSA-N 352.478 3.711 0 40 FHAB COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)[C@H]1CCOC1 60351127 PBUJJHXYOQDKPP-XLIONFOSSA-N 353.462 3.692 0 40 FHAB CC(C)c1ccccc1NC(=O)CSc1nc2c(c(=O)[nH]1)CCCC2 11903557 HFWOTWUOPABWOJ-UHFFFAOYSA-N 357.479 3.503 0 40 FHAB O=C(CCNC(=O)c1ccccc1)NC(c1ccccc1)c1ccccc1 3565982 OBCCDXMZDHXHON-UHFFFAOYSA-N 358.441 3.712 0 40 FHAB CCSc1nnc(NC(=O)CCCOc2ccc(C(C)=O)cc2)s1 3517127 VZSNUOMUKPPZFM-UHFFFAOYSA-N 365.480 3.650 0 40 FHAB O=C(Nc1cc(F)cc(F)c1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 12913739 DOCOZWAPXNEVIA-VOTSOKGWSA-N 370.399 3.855 0 40 FHAB O=S(=O)(c1ccc2ccccc2c1)N1CCO[C@H](c2ccc(F)cc2)C1 12981324 SAGJPZWDEYJQQX-FQEVSTJZSA-N 371.433 3.741 0 40 FHAB CCCN1C(=O)/C(=C/c2ccccc2OCc2ccc(F)cc2)NC1=S 3662727 ULIIUHYIORZAQJ-ATVHPVEESA-N 370.449 3.872 0 40 FHAB CCNC(=S)N(Cc1ccc(F)cc1)Cc1ccc(OC)c(OC)c1 4113784 ZOEZNCRYIXDBAC-UHFFFAOYSA-N 362.470 3.740 0 40 FHAB COc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)c1 5008324 ZGHALXFJDYVQOX-UHFFFAOYSA-N 366.373 3.801 0 40 FHAB COc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(OC)c1C 14009820 FOGMQRKXGSCQFJ-OQLLNIDSSA-N 372.808 3.763 0 40 FHAB COc1ccc(C)cc1NC(=O)CSc1nc2cc(Cl)cnc2[nH]1 5310247 MLSKKZWGNFLMMK-UHFFFAOYSA-N 362.842 3.659 0 40 FHAB Cc1sc2nc(-c3cccnc3)nc(N3CCC[C@H](CO)C3)c2c1C 14247169 KPVULGCHMGILJP-AWEZNQCLSA-N 354.479 3.579 0 40 FHAB O=Cc1ccc(Br)cc1N1CCN(Cc2ccccc2)CC1 14628786 VTKCZXGNQJYGHK-UHFFFAOYSA-N 359.267 3.584 0 40 FHAB C[C@H](Sc1nnc(CN2CCCC2=O)o1)c1ccc(OC(F)F)cc1 66408726 PVJCVKAPGLZWFP-JTQLQIEISA-N 369.393 3.647 0 40 FHAB O=C(NCCc1ccc(OC(F)F)cc1)c1cc(O)nc2ccccc12 15098479 XBVNPFQGFGMTJZ-UHFFFAOYSA-N 358.344 3.514 0 40 FHAB C[C@@H](Nc1cccc(C(N)=O)c1)C(=O)Nc1ccc(Cl)cc1Cl 9313572 BFQNONKYISLXCN-SECBINFHSA-N 352.221 3.531 0 40 FHAB C[C@H](NC(=O)COc1ccc2oc3c(c2c1)CCCC3)c1ccccn1 9366716 MTANUILNCUIGNW-AWEZNQCLSA-N 350.418 3.963 0 40 FHAB CCOc1ccccc1C(=O)NCCCC(=O)Nc1ccccc1CC 7466591 SJRQGIKPPWVNKT-UHFFFAOYSA-N 354.450 3.796 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(Cl)cc2F)c1C 7531752 XEABKUIQRNFXTK-UHFFFAOYSA-N 351.761 3.666 0 40 FHAB C[C@H]1CCCN(C(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)CC1 68783401 COANOFCJODKKCS-JTQLQIEISA-N 350.768 3.938 0 40 FHAB O=C(NCc1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1 16444508 RPOIPOXKMLFSGD-UHFFFAOYSA-N 363.383 3.737 0 40 FHAB C[C@H]1C[C@@H](Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)C(=O)O1 8132381 QUWFNVSOTIDELG-ZUZCIYMTSA-N 354.435 3.557 0 40 FHAB C[C@H]1Oc2c(C(=O)Nc3cccc(N4CCCC4=O)c3)cccc2[C@H]1C 8271698 NYZQMIWMDWGBIM-UONOGXRCSA-N 350.418 3.950 0 40 FHAB COc1ccc(OC)c(-c2cc(C(=O)O)c3c(-c4ccco4)noc3n2)c1 8342598 PMNJXKZGXPMYSP-UHFFFAOYSA-N 366.329 3.865 0 40 FHAB COCc1ccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1 9906699 LKQAZLTUQUAUCQ-UHFFFAOYSA-N 360.841 3.575 0 40 FHAB C[C@@H](OC(=O)C1SCCS1)C(=O)Nc1cccc(Cl)c1Cl 89573949 DSRRYJYAQGJKBF-SSDOTTSWSA-N 366.291 3.670 0 40 FHAB CCOc1ccc(C(=O)CN2CCN(c3cccc(C)c3C)CC2)cc1 67206295 JIOLXDMPRQIOQU-UHFFFAOYSA-N 352.478 3.707 0 40 FHAB C[C@@H](CC(=O)N1CCCN2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1 65587484 JGEPTCUNNGJRSO-WMLDXEAASA-N 354.416 3.896 0 40 FHAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN1CCN(c2ccccc2)CC1 36047188 NGGKDTCGSHXTLI-MLDBQTBOSA-N 374.569 3.647 0 40 FHAB COc1cc(OC)c(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1Cl 409079921 CHGMWJWCORKVIO-ZROIWOOFSA-N 364.829 3.583 0 40 FHAB O[C@H]1c2ccccc2[C@H](O)c2c1ccc1c2CN(Cc2ccccc2)CC1 31772145 WDBPFTQKJYIDGQ-ZEQRLZLVSA-N 357.453 3.722 0 40 FHAB COc1ccc(CSCCC(=O)Nc2ccc3c(c2)OCO3)cc1F 32788275 YPCXMXBDGSPBCS-UHFFFAOYSA-N 363.410 3.825 0 40 FHAB Cc1ccc(N(Cc2ccco2)C(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 39975943 JXSRGGJQFMZQFX-UHFFFAOYSA-N 373.412 3.600 0 40 FHAB CCn1c(SCC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)nnc1-c1cccc(C)c1 216028390 UICWCDQOPRENCF-INMHGKMJSA-N 370.522 3.670 0 40 FHAB CC(C)c1cc(-c2nn3c(Cc4ccccc4Cl)nnc3s2)n(C)n1 71285047 WXQFVWREBQXYPB-UHFFFAOYSA-N 372.885 3.954 0 40 FHAB Cc1nc2cccnc2n1C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 72365993 RYCFEVWDDXLONJ-UHFFFAOYSA-N 359.433 3.698 0 40 FHAB COc1ccc(CN([C@H](C)C2CC2)S(=O)(=O)c2cccs2)cc1 30336781 RYTUFADXKIZLBZ-CYBMUJFWSA-N 351.493 3.746 0 40 FHAB Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2C(=O)C2CCC2)n1 72354769 DYYRDUVWKLLRNC-MRXNPFEDSA-N 356.857 3.843 0 40 FHAB CO[C@@](C)(C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1)C1CC1 225643795 AMILESRALIBYPF-IIBYNOLFSA-N 360.498 3.551 0 40 FHAB C[C@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)N[C@@H]1CCCC[C@@H]1C 227137443 FGXOEPBVVWLKSN-SGMGOOAPSA-N 369.494 3.682 0 40 FHAB CC(C)(C)c1ccccc1OCCNS(=O)(=O)c1ccc(Cl)cc1 223690985 YFPPPAAZBOCJQJ-UHFFFAOYSA-N 367.898 3.995 0 40 FHAB O[C@H](COc1ccccc1)Cn1c([C@H](O)c2ccccc2)nc2ccccc21 82086769 ZRDFPSVZSFPBFL-PGRDOPGGSA-N 374.440 3.558 0 40 FHAB Cc1nn2c(nnc3c(=O)n(C(C)C)ccc32)c1-c1ccc(Cl)cc1 40395959 URSJLZYSXGFKCF-UHFFFAOYSA-N 353.813 3.649 0 40 FHAB O=S(=O)(c1ccccc1NC[C@H]1CCc2ccccc2N1)C(F)(F)F 84581824 FSAUVDFOOZBWNB-CYBMUJFWSA-N 370.396 3.819 0 40 FHAB CCN(CC)C(=O)N1CCC[C@H](C(=O)N[C@H](C)c2cccc(Cl)c2)C1 40091881 HYLKMUQJGHNAFP-ZBFHGGJFSA-N 365.905 3.691 0 40 FHAB O=C(COc1ccccc1F)Nc1ccccc1C(=O)N1CCCCCC1 222775031 KSBMKYHRGPKJQV-UHFFFAOYSA-N 370.424 3.859 0 40 FHAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344990 FFMUFXUJFDUASY-RBSFLKMASA-N 358.265 3.801 0 40 FHAB CC(C)NC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CCOCC1 225749830 VEXSVNFITWCXGO-UHFFFAOYSA-N 366.461 3.512 0 40 FHAB CCOc1ccc([C@@H](N)c2n[nH]c(-c3ccc(Cl)cc3)n2)cc1OC 95534239 SLTRGRFYPFSLLW-MRXNPFEDSA-N 358.829 3.581 0 40 FHAB COC[C@@H]1CC2(CCN(Cc3cccs3)CC2)CN1Cc1ccccn1 96051786 NRJXUCWHZFBPLU-IBGZPJMESA-N 371.550 3.646 0 40 FHAB Cc1ccc(N2CCC3(CC2)C(=O)N(c2ccoc2)c2ccccc23)nn1 96078948 RASXCYXWTXWSTH-UHFFFAOYSA-N 360.417 3.595 0 40 FHAB CC(C)CNc1cc(-c2c[nH]nc2[C@H]2CCN(C(=O)C3CCC3)C2)ccn1 257224626 FCPJONQGWWWFHE-KRWDZBQOSA-N 367.497 3.656 0 40 FHAB CC(C)(C)CN1CCO[C@@H](c2cc(CCOc3ccccc3F)[nH]n2)C1 257246172 ISVZNMNVZNGBOV-LJQANCHMSA-N 361.461 3.590 0 40 FHAB CC(=O)Nc1cccc(CC(=O)N2CCC[C@@]2(C)Cc2ccccc2F)c1 648527300 SGSZZOXFBAEZBK-QFIPXVFZSA-N 368.452 3.950 0 40 FHAB O=C(Nc1ccccc1NC(=O)C1CCOCC1)c1ccc(Cl)cc1 24639504 ANGINHXNONACRH-UHFFFAOYSA-N 358.825 3.957 0 40 FHAB COc1ccc(Cl)cc1C(=O)NCC1(OC)C2CC3CC(C2)CC1C3 96393394 YZKNJDOZKGJLPX-UHFFFAOYSA-N 363.885 3.920 0 40 FHAB C[S@](=O)c1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCC2)cc1 48655366 OVZFPHRBLUEJJJ-XMMPIXPASA-N 362.882 3.930 0 40 FHAB Cc1cccc(Oc2ccc(C(=O)N[C@H](C)c3noc(C(F)F)n3)nc2)c1 1637565098 UGTXFKIFYICZSG-LLVKDONJSA-N 374.347 3.994 0 40 FHAB COc1ccc(C2(NC(=O)CCn3nc(C)c(C)c3C)CCCC2)cc1 12197573 SMNWIKLMSLMEOJ-UHFFFAOYSA-N 355.482 3.793 0 40 FHAB C[C@H]1CN(c2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3)n2)C[C@H](C)O1 12221179 LZJCDBPMPHZWCU-STQMWFEESA-N 369.856 3.801 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccco3)c2)c(C)c1 12768679 AAOLRCFDGSUTDV-UHFFFAOYSA-N 370.430 3.950 0 40 FHAB COC(=O)[C@H](Cc1ccccc1)c1cc(=O)oc2c(C)c(OC)ccc12 12898644 YKDPSSSFRMWCHC-QGZVFWFLSA-N 352.386 3.609 0 40 FHAB biogenic CCOc1ccc(C(=O)N[C@H](C)c2nc(-c3cccc(C)c3)no2)cc1 13495278 KZLJPWBSMCHVPQ-CQSZACIVSA-N 351.406 3.935 0 40 FHAB CSc1ccc(NC(=O)N2[C@H]3CC[C@@H]2CC(O)(c2cccnc2)C3)cc1 13563688 QFBSIXYXMQLIDC-XEWABKELSA-N 369.490 3.850 0 40 FHAB COc1ccc(CN2CCC(c3nnc(-c4cccnc4)o3)CC2)cc1 19555050 VWWBFBQDWBDVAN-UHFFFAOYSA-N 350.422 3.520 0 40 FHAB COc1ccc(CN(Cc2cccc3ncccc23)C[C@@H](C)O)cc1OC 19456005 KFXGLOCRYWREDQ-MRXNPFEDSA-N 366.461 3.635 0 40 FHAB O=C(C1CCN(c2ccnc3ccsc23)CC1)N1CCC(F)(F)CC1 1889117805 BZWPPFZRYLZKOK-UHFFFAOYSA-N 365.449 3.770 0 40 FHAB O=C(OCc1nnsc1Cl)c1ccc(COc2ccc(F)cc2)o1 21243880 SZNFOLHOGHCXGZ-UHFFFAOYSA-N 368.773 3.860 0 40 FHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(C(C)=O)s2)c1 21204841 ONMPCVFQCQGQIF-HNNXBMFYSA-N 359.447 3.945 0 40 FHAB C[C@H](NC(=O)c1ccc(Cn2ccccc2=O)o1)c1ccccc1Cl 23754138 SQNQHHDZHUVAOT-ZDUSSCGKSA-N 356.809 3.634 0 40 FHAB O=C(CCc1ccc(Cl)c(F)c1)N1CC(N2CCc3ccccc3C2)C1 253473928 ZXLRHGCZWZXODQ-UHFFFAOYSA-N 372.871 3.681 0 40 FHAB NC(=O)c1oc2ccccc2c1NC(=O)c1cccc(Br)c1 2483623 OBSIOEUSGWVMPS-UHFFFAOYSA-N 359.179 3.547 0 40 FHAB CCCC(=O)Nc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)s1 4077994 MWHXVLQAAWTJKE-UHFFFAOYSA-N 364.496 3.624 0 40 FHAB C[C@@H]1CCc2sc(NC(=O)c3nc4ccccc4s3)c(C(N)=O)c2C1 4071966 WOXJXLGTRLCQCH-SECBINFHSA-N 371.487 3.834 0 40 FHAB O=C(CCCn1nc(-c2ccccc2)ccc1=O)Nc1ccc(F)c(F)c1 11693274 RVFYRSSXLBVGIS-UHFFFAOYSA-N 369.371 3.607 0 40 FHAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cc(F)ccc1F 11694361 JQQAGWLXUSRAGC-UHFFFAOYSA-N 361.323 3.941 0 40 FHAB O=C(Cc1cccc2ccccc12)NCCN1CCO[C@H](c2ccccc2)C1 23127758 VYOUZAXJBVKPGK-QHCPKHFHSA-N 374.484 3.572 0 40 FHAB O=C(Cn1c(-c2cccnc2)nc2ccccc21)NCc1ccc(F)cc1 23144127 AZORRLWCCIUMDL-UHFFFAOYSA-N 360.392 3.554 0 40 FHAB Cn1nccc1[C@H]1CCCCN1C(=O)c1ccc(OC(F)(F)F)cc1 410293345 KNNFOEFSHKHDEK-OAHLLOKOSA-N 353.344 3.686 0 40 FHAB Nc1cccc(S[C@@H]2CC(=O)N(c3c(Cl)cccc3Cl)C2=O)c1 113562723 PAJVHAXFEAMATA-CYBMUJFWSA-N 367.257 4.000 0 40 FHAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@]2(C)CC2(Cl)Cl)c1 40122233 LQMHECQUDBFTJX-ZBEGNZNMSA-N 357.281 3.871 0 40 FHAB CCN(Cc1ccccc1)C(=O)Nc1cccc(C(=O)N2CCCC2)c1 40104801 USRDBEJJJXHZFE-UHFFFAOYSA-N 351.450 3.977 0 40 FHAB Cc1noc(C)c1COC(=O)[C@@H](NC(=O)c1cccs1)c1ccccc1 21853065 GKXVPXXEWMSROP-KRWDZBQOSA-N 370.430 3.567 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1noc(-c2cccc(C)c2)n1 21806575 ISMOMTMNICZXMA-OAHLLOKOSA-N 355.369 3.980 0 40 FHAB COc1cc(OC)cc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)c1 21947027 CVBYUHQANNTGTM-UHFFFAOYSA-N 374.780 3.764 0 40 FHAB Cc1nn(C[C@H](C)C(=O)Nc2ccc(F)c(F)c2)c(C)c1Br 2794551 PMLUNPIKIFAUSS-QMMMGPOBSA-N 372.213 3.815 0 40 FHAB C[C@@H]1CN(C(=O)Cc2cc(-c3ccccc3)on2)C[C@H](c2ccccc2)O1 76017692 AFPJREXTOTWAJW-IIBYNOLFSA-N 362.429 3.873 0 40 FHAB CS[C@@H]1CC[C@H](N(C)C(=O)CCCc2nnc(-c3ccccc3)o2)C1 78934112 ILSAUEKYQXTLOU-JKSUJKDBSA-N 359.495 3.802 0 40 FHAB OCCNc1nc2ccccc2n1Cc1csc(-c2cccs2)n1 47369954 WWSQVBMXBJGDTE-UHFFFAOYSA-N 356.476 3.674 0 40 FHAB Cc1cc(OC[C@@H](O)CN2C(C)(C)CC(O)CC2(C)C)ccc1C(C)C 6008659 XUKIHVRTKIVLKB-SFHVURJKSA-N 363.542 3.872 0 40 FHAB CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc3ccccc3c2)cc1 6238428 MTLYWEAZKMKKQI-UHFFFAOYSA-N 363.442 3.925 0 40 FHAB O=C(Nc1ccc(Cl)cc1Cl)N1CCN(c2ccccn2)CC1 6865113 XFJAEQGFJSKTGN-UHFFFAOYSA-N 351.237 3.743 0 40 FHAB CCOc1cc(/C=C2/C(=O)N(C)c3ccccc32)ccc1OCCOC 6961149 FXHMDGKPSWHRIS-GHRIWEEISA-N 353.418 3.628 0 40 FHAB COc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OC1CCCCCC1 823582 WZFPSUQOLKFKAK-SFHVURJKSA-N 358.438 3.589 0 40 FHAB CCOc1cccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)c1 814019 FISJORBCPQONEJ-UHFFFAOYSA-N 355.419 3.906 0 40 FHAB C[C@H]1CCC[C@H](C)N1CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1 3189762 STTINUWGALUHJH-KBPBESRZSA-N 358.935 3.660 0 40 FHAB COc1ccccc1[C@@H](O)CNC(=O)Nc1cccc(Cl)c1Cl 43263501 YOLCXMASBPXIEB-ZDUSSCGKSA-N 355.221 3.857 0 40 FHAB CCc1cc(=O)oc2c3c(ccc12)OCN(Cc1cccc(OC)c1)C3 55393843 TVUSSRFAEGUQBB-UHFFFAOYSA-N 351.402 3.716 0 40 FHAB COc1ccc(C(=O)Nc2cccc(CNCCc3ccccn3)c2)cc1 24106081 ZTTHWARYSLPPFS-UHFFFAOYSA-N 361.445 3.675 0 40 FHAB CC(=O)c1ccc(C(=O)OCc2ccc(C(=O)N3CCCC3)cc2)s1 25267992 DHURGOCJIKBTDQ-UHFFFAOYSA-N 357.431 3.544 0 40 FHAB Cc1sc(-n2cccc2)c(C(=O)NC[C@@H]2COc3ccccc3O2)c1C 25465589 WJDIYJSEYSVBGC-OAHLLOKOSA-N 368.458 3.725 0 40 FHAB Cc1nc(-c2ccccn2)sc1C(=O)NCC1(N(C)C)CCCCCC1 25443721 SLUDCCHICWAPQQ-UHFFFAOYSA-N 372.538 3.898 0 40 FHAB CCOC(=O)c1ccoc1COC(=O)c1cc2ccc(OC)cc2nc1C 26290437 LINFBURQCPYXHN-UHFFFAOYSA-N 369.373 3.679 0 40 FHAB COc1ccc(CCNC(=O)CSCc2cccc(C)c2)cc1OC 26676535 OSXFJJXJPAYYJM-UHFFFAOYSA-N 359.491 3.604 0 40 FHAB O=C(/C=C/c1cccc(F)c1)NC1CCN(C(=O)Nc2ccccc2)CC1 10027542 PGAZZBXIRCMKSR-MDZDMXLPSA-N 367.424 3.652 0 40 FHAB CCOC(=O)Nc1cccc(C(=O)N(CCOC)Cc2ccccc2)c1 8936201 JYXNSAXWTNZXQE-UHFFFAOYSA-N 356.422 3.544 0 40 FHAB Cc1nnc(SC[C@@H](O)COc2ccc3ccccc3c2)n1C1CC1 58162130 MBTICHHRUAKBMZ-KRWDZBQOSA-N 355.463 3.607 0 40 FHAB CCc1ccc(CN(Cc2cccnc2)C(=O)NCc2ccccn2)cc1 58162045 KMCKQUCYCPPCLD-UHFFFAOYSA-N 360.461 3.951 0 40 FHAB CSc1ccc([C@@H](C)NC(=O)c2cn(C)c3ccc(F)cc3c2=O)cc1 22236578 NHIDJTRLISRNQU-GFCCVEGCSA-N 370.449 3.891 0 40 FHAB Cc1ccccc1NC(=O)C(=O)NCCOc1ccccc1-c1ccccc1 59417415 LVQHFXOEACFHAA-UHFFFAOYSA-N 374.440 3.796 0 40 FHAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3ccc(F)cc3)ccc21 10972212 KTAAXTTUNCANMY-UHFFFAOYSA-N 370.424 3.778 0 40 FHAB O=C(Cc1ccc(N2CCCC2=O)cc1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 12789870 FJSDBMGUOKUUFM-IPMKNSEASA-N 354.494 3.831 0 40 FHAB CCOc1ccc(-c2nc3ccccc3c(C(=O)O)c2CC(=O)O)cc1 62702305 XLXLNKNTGOOOLD-UHFFFAOYSA-N 351.358 3.626 0 40 FHAB COCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Cl)c1 2402469 SWVWAOJYPCQPHZ-KRWDZBQOSA-N 369.804 3.638 0 40 FHAB CCOc1ccc(OCCSc2nncn2-c2ccccc2OC)cc1 2627639 LJACRNKTLMEMQH-UHFFFAOYSA-N 371.462 3.846 0 40 FHAB O=C(CSc1ncnc2sccc12)N[C@@H]1CCCc2ccccc21 3323275 YLVPBRFGDJYWRX-OAHLLOKOSA-N 355.488 3.977 0 40 FHAB C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)Nc2ccccc2-n2cccn2)C1 48314891 AIBWXVXKRGBGCT-QZTJIDSGSA-N 369.513 3.752 0 40 FHAB CN(CC(=O)Nc1cccc(F)c1)c1ncc(C(F)(F)F)cc1Cl 12883797 MIGHIONRQZZESM-UHFFFAOYSA-N 361.726 3.968 0 40 FHAB Cc1ccc(NC(=O)c2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1 12985376 PBLPBWMRPKQHNN-UHFFFAOYSA-N 363.417 3.809 0 40 FHAB CCOc1ccc([C@@H](CC(=O)O)NC(=O)C[C@H](C)c2ccccc2)cc1 3624699 KLTPKDWETZFLCT-HNAYVOBHSA-N 355.434 3.911 0 40 FHAB O=C(C1CCCCC1)N1CCC(NCc2cccc3c2OCCCO3)CC1 48712265 VIFDOMBJYCEIKN-UHFFFAOYSA-N 372.509 3.509 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)CSc1nc2sccc2c(=O)[nH]1 13008031 RLDINXAPZVFQRM-UHFFFAOYSA-N 355.444 3.749 0 40 FHAB O=C(Nc1cc2c(cc1Cl)OCCCO2)N(C[C@@H]1CCOC1)C1CC1 95350301 SVJHPHHTLZTPDG-LBPRGKRZSA-N 366.845 3.534 0 40 FHAB O=C(O)CC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1 4050646 AQOIAODAHOWPFY-UHFFFAOYSA-N 374.702 3.959 0 40 FHAB C[C@@H](Nc1ccc(NC(=O)[C@@H]2COCCO2)cc1Cl)c1ccccc1 84660438 HUSXGZHMJLXAMS-ACJLOTCBSA-N 360.841 3.867 0 40 FHAB CCc1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1 5140857 MKRVQDHHWQKCCB-UHFFFAOYSA-N 361.445 3.938 0 40 FHAB O=C(Nc1nn2cc(-c3ccccc3)nc2s1)c1ccc(F)cc1F 6627942 AWIWINNLWXHYHC-UHFFFAOYSA-N 356.357 3.988 0 40 FHAB CSc1ccccc1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 9364524 BGEHSKILIVBMIA-UHFFFAOYSA-N 354.475 3.899 0 40 FHAB O=Cc1ccc(N2CCN(Cc3ccccc3)CC2)c(Br)c1 14628802 RJQOEOHVLBKVHV-UHFFFAOYSA-N 359.267 3.584 0 40 FHAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(OC)c1 4741599 FVMPYBMUZZKYFK-IBGZPJMESA-N 363.417 3.897 0 40 FHAB COc1cc(CC(=O)Nc2cccc3c2CCCC3)cc(OC)c1OC 9453968 WVEJXHFOERKXJS-UHFFFAOYSA-N 355.434 3.772 0 40 FHAB CN1CCc2c(sc3c2C(O)=N[C@H](c2c(F)cccc2Cl)N3)C1 6857610 ZMPNFIPAUBCSCU-AWEZNQCLSA-N 351.834 3.957 0 40 FHAB COc1ccc2c(CC(=O)OCC(=O)Nc3cc(C)cc(C)c3)coc2c1 6886409 CIVQPIUZTORWNK-UHFFFAOYSA-N 367.401 3.783 0 40 FHAB CN(Cc1ccc2c(c1)OCO2)Cc1nnc(-c2ccccc2Cl)o1 15369831 KSXJAPQDUHIZBM-UHFFFAOYSA-N 357.797 3.751 0 40 FHAB O=C(CN1CCCSc2ccccc21)NCCc1c[nH]c2ccccc12 7218626 ZWCZXLGSTPYWKE-UHFFFAOYSA-N 365.502 3.829 0 40 FHAB CC(C)n1cnnc1SCC(=O)N[C@@H](c1ccccc1)c1cccs1 7289444 CTXUWINEQBPQFA-KRWDZBQOSA-N 372.519 3.918 0 40 FHAB COc1ccc([C@@H](C)NC(=O)c2cnc(-c3ccco3)s2)c(OC)c1 71799833 LYLIFYKOBTZYAH-LLVKDONJSA-N 358.419 3.911 0 40 FHAB CCCC[C@@H](CC)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 7608488 ICMAZRXEQCXWOU-CYBMUJFWSA-N 374.934 3.537 0 40 FHAB COc1ccc(NC(=O)c2cc(-c3csc(C)n3)cn2C)cc1OC 16199871 ZALXMZKMIOFCFP-UHFFFAOYSA-N 357.435 3.727 0 40 FHAB Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc(NC[C@@H]3CCCO3)nc2C1 9575419 MSZXKCNVXIPWOV-HOTGVXAUSA-N 351.450 3.597 0 40 FHAB Cc1nc2ccccc2n1CCNC(=O)Cc1cccc(C(F)(F)F)c1 8134542 FMPAPYJUEFXNPU-UHFFFAOYSA-N 361.367 3.722 0 40 FHAB CC(C)n1cc(CC(=O)N[C@H](C)c2nnc3ccccn23)c2ccccc21 95475671 KDBBOJUERICUIM-OAHLLOKOSA-N 361.449 3.685 0 40 FHAB CCc1cc2oc(=O)cc(CSc3nc(C)cc(N)n3)c2cc1Cl 69738692 IMODVXGOWQPJQE-UHFFFAOYSA-N 361.854 3.982 0 40 FHAB COc1cc(C(=O)N(C)c2ccccc2)cc(OC)c1Br 8745624 ZRHNVFJNUSUZIX-UHFFFAOYSA-N 350.212 3.743 0 40 FHAB CCC(CC)c1cc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)on1 75107355 NCLFMCVLRKMYNL-OALUTQOASA-N 367.493 3.782 0 40 FHAB CC(C)c1ccc(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1 89893387 ZGYIDALRNTWIMG-UHFFFAOYSA-N 362.477 3.644 0 40 FHAB O=C(O)Cc1csc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)n1 62714371 AFFPZMPYWSQGQJ-GZTJUZNOSA-N 364.426 3.950 0 40 FHAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1OC 30869842 KHKJSDRJZRTPQC-CVEARBPZSA-N 357.450 3.965 0 40 FHAB C[C@H]1C[C@H](C)CN(CCCNC(=O)CSCc2ccc(F)cc2)C1 216327295 ANLIQVCKOXPDIN-HOTGVXAUSA-N 352.519 3.543 0 40 FHAB O=S(=O)(CCN[C@H]1CCc2cc(F)c(Cl)cc21)c1ccc(F)cc1 527872494 LZIYJTAKBCSNDV-KRWDZBQOSA-N 371.836 3.669 0 40 FHAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2)c(Cl)c1 30755825 YRUBOZWFVPXCFX-UHFFFAOYSA-N 359.234 3.617 0 40 FHAB O=C(Nc1ccncc1F)NC1(c2ccc3c(c2)OCCO3)CCCC1 128415825 CSGSCFXHCVPCCD-UHFFFAOYSA-N 357.385 3.583 0 40 FHAB COc1ccc(NC(=O)CNc2ccc3c(c2)OC(F)(F)O3)cc1Cl 39992471 YFECEBDZPPHHPB-UHFFFAOYSA-N 370.739 3.721 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)c(C)c1 219531267 DXLQVIJCPAETSU-INIZCTEOSA-N 352.434 3.836 0 40 FHAB C[C@@H](Cc1ccccc1F)N1CC[C@]2(CCc3ccccc3C(=O)N2)C1 72395784 RAMNQILXCKTTEZ-KSFYIVLOSA-N 352.453 3.577 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 43739542 CKZUTSVVQBLOMO-CQSZACIVSA-N 356.809 3.534 0 40 FHAB Cc1nc(Nc2ccccn2)cc([C@H]2CCCN2C(=O)C2CCCC2)n1 72360312 BXBVUJQPNJMMHG-QGZVFWFLSA-N 351.454 3.777 0 40 FHAB COCCN(Cc1ccsc1)C(=O)c1ccc(OC(F)(F)F)cc1 75170211 XQDBGFHOOYLFLV-UHFFFAOYSA-N 359.369 3.936 0 40 FHAB O=C(c1ccc(SC(F)F)cc1)N1CCN(Cc2ccco2)CC1 40039477 YNGPYZVENOIITB-UHFFFAOYSA-N 352.406 3.552 0 40 FHAB C[C@H](O)c1ccc(NC(=O)c2ccccc2I)cc1 226272973 ZEVRUVGBXHGYQC-JTQLQIEISA-N 367.186 3.597 0 40 FHAB Cc1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1N(C)S(C)(=O)=O 222467812 LHNHBEOJHACLAX-UHFFFAOYSA-N 360.479 3.767 0 40 FHAB CCOCc1cc(C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCC 224697498 RMIZHACWNABNRK-UHFFFAOYSA-N 357.406 3.661 0 40 FHAB CC[C@@H](C)n1ncc(NC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)c1C 331626067 MOYPHAVSTKJUKN-FZKQIMNGSA-N 360.433 3.907 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 95482415 PJMHZXDPCXMZQJ-CYBMUJFWSA-N 371.824 3.816 0 40 FHAB CC(C)CC(=O)N1CCC2(CC1)C[C@H](CC(=O)N(C)C)c1ccccc12 96242051 JNUCBQRLRLJIGA-KRWDZBQOSA-N 356.510 3.559 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 255167599 AJBUOJCFCCXRIV-NJAFHUGGSA-N 360.498 3.817 0 40 FHAB Cc1ncc(-c2cccc(C3CCN(Cc4cscn4)CC3)n2)n1C 257299437 RQBOQKQXZWYMSD-UHFFFAOYSA-N 353.495 3.627 0 40 FHAB CO[C@@H]1CCC[C@H](C(=O)N2CCC(c3onc4c3C[C@@H](C)CC4)CC2)C1 253589748 MHGSFUAYPNOSCY-BHYGNILZSA-N 360.498 3.711 0 40 FHAB COc1cc(CSc2nc3cc(Cl)ccc3c(=O)n2C(C)C)on1 629096060 CYMBIAVARYJNPL-UHFFFAOYSA-N 365.842 3.920 0 40 FHAB CCSC1(CNC(=O)N[C@H]2c3ccccc3CC23CCOCC3)CC1 595635563 MEYUEZGQXLTVLS-KRWDZBQOSA-N 360.523 3.666 0 40 FHAB CC1=CC(C)(C)N2C(=O)[C@](O)([C@H]3CCCCCC3=O)c3cc(C)cc1c32 1740816843 YDGOTSBKDOPUKS-AOMKIAJQSA-N 353.462 3.874 0 40 FHAB CCc1ccc([C@H](N[C@H](C)C(=O)Nc2c(C)nn(C)c2C)C(C)C)cc1 57838681 RSKSEBOYFLXSNO-DNVCBOLYSA-N 356.514 3.913 0 40 FHAB CCOc1ccccc1C(=O)NCc1cccc(NC(=O)N2CCCC2)c1 54348122 UKAZFDHPPODQSX-UHFFFAOYSA-N 367.449 3.643 0 40 FHAB Cc1ccc(CNC[C@]2(C)COc3ccccc3O2)c(-c2cnn(C)c2)c1 1657730370 AGOXVBILOVXDKP-JOCHJYFZSA-N 363.461 3.715 0 40 FHAB CCOC(=O)C(C(=O)OCC)[C@H](c1ccccc1)c1ccc(OC)cc1 5574382 UTSLWUWRPCXWLK-GOSISDBHSA-N 356.418 3.570 0 40 FHAB Cc1nc(COc2ccccc2C(=O)N[C@@H](C)c2ccc(F)cc2F)no1 12770302 FZHVZGFZMAMNFZ-NSHDSACASA-N 373.359 3.726 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 14006578 UHQOSGOWCOSZKT-AWEZNQCLSA-N 370.449 3.630 0 40 FHAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C[C@@H]1C=CCC1 14633616 SARFJHGNTROMPV-CYBMUJFWSA-N 359.857 3.671 0 40 FHAB C[C@@H]1CC[C@H]2C(=O)N(c3ccc(OC(=O)c4cccs4)cc3)C(=O)[C@@H]2C1 18241087 PUYWDVRKABOJRN-DAXOMENPSA-N 369.442 3.893 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)[C@H](C)Oc2ccccc2F)cc1OC 19078665 SLFUQDODZQJQNZ-WMLDXEAASA-N 373.424 3.974 0 40 FHAB Cc1nccn1CC1(O)CCN(Cc2cccc(Cl)c2Cl)CC1 19287994 ROVDQFLFQMPCJP-UHFFFAOYSA-N 354.281 3.525 0 40 FHAB Cc1sc2ncnc(N3CCC(C(=O)NC4(C)CCC4)CC3)c2c1C 19561637 ZXQMUMWOLOJSJU-UHFFFAOYSA-N 358.511 3.583 0 40 FHAB C[C@@H](NC(=O)c1ccc2c(c1)ncn2C1CC1)c1ccc2c(c1)OCCO2 19663076 HAMPLEXKZTVKOC-CYBMUJFWSA-N 363.417 3.633 0 40 FHAB Cc1ccccc1OCC(=O)Nc1cc(Cl)c2nc(NN)sc2c1 226312901 FSWSWXRNGPGEFN-UHFFFAOYSA-N 362.842 3.561 0 40 FHAB COC1(c2nc(-c3ccc(CN4CCC(C)CC4)cc3)no2)CCOCC1 585084085 ZGOBZUZYBGTZOT-UHFFFAOYSA-N 371.481 3.621 0 40 FHAB CN1CCN(c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)CC1 7105699 HHHRIANPDAPALO-UHFFFAOYSA-N 363.383 3.710 0 40 FHAB COCCSc1nc2c(c(=O)n1-c1cccc(Cl)c1C)CCCC2 1888947698 GBHZGBMWECGFLF-UHFFFAOYSA-N 364.898 3.812 0 40 FHAB CC(C)n1ncc2cc(NC(=O)Cc3coc(-c4ccccc4)n3)cnc21 22259008 SYHIRDNDVMRRFV-UHFFFAOYSA-N 361.405 3.848 0 40 FHAB COc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 1221459 FRAHHFOXKSWDFS-UHFFFAOYSA-N 367.430 3.585 0 40 FHAB CCOc1ccc2[nH]cc(S(=O)(=O)c3ccc(C(C)C)cc3)c(=O)c2c1 2705814 ZFPMFAPLANDQKT-UHFFFAOYSA-N 371.458 3.883 0 40 FHAB O=C(Nc1cc2c3c(c1)CCN3C(=O)CC2)c1cccc(C(F)(F)F)c1 5153361 PDRGPJGZIWAVIO-UHFFFAOYSA-N 360.335 3.793 0 40 FHAB Cc1ccc(C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCOCC2)cc1C 23180949 UASPYWVWLKQUQL-APWZRJJASA-N 358.507 3.557 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)NCc1ccc([C@@H](O)c2ccccc2)s1 207969780 FLYWJIDLWGZLIL-QRWLVFNGSA-N 367.470 3.914 0 40 FHAB CS(=O)(=O)Nc1cccc(CNCc2ccc(Cl)cc2Cl)c1 40040195 UQRJMLXDIXGKAV-UHFFFAOYSA-N 359.278 3.655 0 40 FHAB O=C1CC[C@@]2(C(=O)N[C@@H]3CCCc4ccccc43)Sc3ccccc3N12 40017156 YTGBLPVLJNRMEV-IERDGZPVSA-N 364.470 3.809 0 40 FHAB N=c1c2c(ncn1Cc1ccco1)Oc1cc(O)ccc1[C@H]2c1ccccc1 100512645 NOGQPWSXNVFQFA-LJQANCHMSA-N 371.396 3.995 0 40 FHAB CCOc1cc(C)c(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1C 31904021 GFKSHEFITONGSZ-UHFFFAOYSA-N 358.463 3.906 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 32819901 XJPIGVRQJMFAND-LJQANCHMSA-N 372.509 3.643 0 40 FHAB O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1ccccc1 2764795 WSCAWDJJMLIFDM-UHFFFAOYSA-N 355.397 3.702 0 40 FHAB O=S(=O)(Nc1cnn(Cc2cccc(F)c2)c1)c1ccc(Cl)cc1 2804645 BCADWHMIVDAFHF-UHFFFAOYSA-N 365.817 3.525 0 40 FHAB C[C@@H](NCC1(c2ccccc2)CC1)[C@@H](c1ccccc1)N1CCOCC1 79015266 LBNOIYPUMFXBDE-KNQAVFIVSA-N 350.506 3.770 0 40 FHAB CCn1c(SCc2nc(-c3ccccc3)no2)nnc1-c1ccco1 667140 NMXOTEQJLKRZSJ-UHFFFAOYSA-N 353.407 3.900 0 40 FHAB COc1ccc([C@H](c2nnnn2C2CCCC2)N2CCC(C)CC2)cc1 4375676 NQUWDWKVYGPVAA-LJQANCHMSA-N 355.486 3.618 0 40 FHAB Cc1cccc(NC(=S)N2CCC(NC(=O)c3ccccc3C)CC2)c1 4857498 PEPUDFSMYYLUAW-UHFFFAOYSA-N 367.518 3.895 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 7382284 VTPRWAPYWOWEIX-LJQANCHMSA-N 352.478 3.728 0 40 FHAB COc1ccc([C@H]2CCCN2CCC(=O)Nc2ccccc2OC)cc1 54426306 HTIZBCGRIYCNBG-LJQANCHMSA-N 354.450 3.870 0 40 FHAB CC(C)c1nnc(SCC(=O)Nc2ccccc2Br)o1 59213359 DPYOOFNVDVZPQW-UHFFFAOYSA-N 356.245 3.686 0 40 FHAB COc1ccc([C@H]2CCCCCN2C(=O)c2cccc(NC(N)=O)c2)cc1 24392840 MMCCWPJFADVVMT-LJQANCHMSA-N 367.449 3.943 0 40 FHAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(-n2cccc2)cc1 9680479 HGARSXVGMNSCQC-UHFFFAOYSA-N 370.416 3.718 0 40 FHAB COC(=O)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1 100971736 XYEPZFXWJXPTAL-KJWHEZOQSA-N 373.499 3.875 0 40 FHAB Cc1ccc(/C=C/S(=O)(=O)N[C@H](C)c2ccc3c(c2)OCCCO3)cc1 56056062 XMBNJHFMCUPALX-QSOAKEGCSA-N 373.474 3.808 0 40 FHAB COC(=O)c1ccc(-c2nc3cnccn3c2Nc2ccccc2OC)cc1 35181236 VPHCZDJUFJEACD-UHFFFAOYSA-N 374.400 3.935 0 40 FHAB COc1cccc(OC)c1C(=O)N[C@@H](C)c1ccc(Br)cc1 20025462 XNPSPBKYLBGUBK-NSHDSACASA-N 364.239 3.957 0 40 FHAB COc1ccc(-c2cc(C(=O)N(C)c3ccc(C)cc3)n[nH]2)c(OC)c1 57477083 UMXGRULCDXHIMS-UHFFFAOYSA-N 351.406 3.679 0 40 FHAB CSc1ccccc1NC(=O)COC(=O)c1cc(Cl)nc(Cl)c1 3278029 QOSGQYYPTZGYMT-UHFFFAOYSA-N 371.245 3.906 0 40 FHAB COc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1 1943600 SLPSZUHLKABHRR-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB O=C(COc1ccccc1)NC[C@@H](c1cccs1)N1CCCCCC1 27584239 NQPCVYVELNATOU-SFHVURJKSA-N 358.507 3.860 0 40 FHAB O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 12738077 RSDPVABWLSDHTR-JXFKEZNVSA-N 372.484 3.859 0 40 FHAB CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCO[C@@H](c2ccc(F)cc2)C1 58576379 HZDKZCLKEGPETD-LAUBAEHRSA-N 370.468 3.636 0 40 FHAB CC1=C(C(=O)OCC(C)C)[C@H](c2cccs2)N2C(=O)CCSC2=N1 2484724 RNJSOZYEHVYXRS-HNNXBMFYSA-N 364.492 3.598 0 40 FHAB Cc1ccc(C)c(OCCC(=O)NCc2ccc(Cn3ccnc3)cc2)c1 48324497 DBVLTYVXVZAIAI-UHFFFAOYSA-N 363.461 3.634 0 40 FHAB Cc1nn(C)c(C)c1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 12850219 QBBLTLIXDFNWDC-UHFFFAOYSA-N 354.435 3.603 0 40 FHAB COc1ccc(C(=O)NCCOc2cccc(C)c2)cc1Br 12806676 YRWGKGQGWBPFOA-UHFFFAOYSA-N 364.239 3.575 0 40 FHAB COc1ccc(Cl)cc1C(=O)NCc1ccc(NC(=O)C2CC2)cc1 12927639 HIVDHBIEPRVPRZ-UHFFFAOYSA-N 358.825 3.627 0 40 FHAB CC(C)CCCCCCNC(=O)c1cccc(N2CCCS2(=O)=O)c1 12921589 YZLFJPGHVMCYSY-UHFFFAOYSA-N 366.527 3.563 0 40 FHAB CC1CCN(C(=O)[C@@H](C)OC(=O)c2cc(C3CC3)nc3ccccc23)CC1 12983948 SSJRNKPUJQGGRS-OAHLLOKOSA-N 366.461 3.916 0 40 FHAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc2c(c1)OCCCO2 8745469 VQLLGXKYTQEJHM-UHFFFAOYSA-N 365.429 3.938 0 40 FHAB O=c1c(Cl)c(Cl)cnn1Cc1ccc(F)c(Br)c1 48609528 PYEMZONBHLTMSC-UHFFFAOYSA-N 351.990 3.500 0 40 FHAB CCCNC(=O)[C@@H]1CCCN1c1cc(C(F)(F)F)nc2ccccc12 13007229 FDZMIUPLDJVMQB-AWEZNQCLSA-N 351.372 3.749 0 40 FHAB CS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)cc3cccnc23)cc1 13019441 HGOWIFQWCQQNLP-UHFFFAOYSA-N 360.822 3.544 0 40 FHAB CS(=O)(=O)c1ccc(-c2csc(NC(=O)Nc3ccccc3)n2)cc1 4089697 NSVHBNGJGZHVGM-UHFFFAOYSA-N 373.459 3.858 0 40 FHAB C[C@@H](NS(=O)(=O)c1cc(F)ccc1F)C12CC3CC(CC(C3)C1)C2 13938780 MYOFABQUMINJET-HDPALTEOSA-N 355.450 3.848 0 40 FHAB NC(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)s1 65563049 YJWSPAAJHSYFHZ-UHFFFAOYSA-N 362.414 3.643 0 40 FHAB COc1ccc(CCN(C)Cc2nc(-c3ccc(C)cc3)no2)cc1OC 14139187 AFRNRKTXIZECMU-UHFFFAOYSA-N 367.449 3.737 0 40 FHAB CCCn1nc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c2ccccc2c1=O 14245428 FWYOHQOWWGHGRM-YJBOKZPZSA-N 353.466 3.601 0 40 FHAB CCn1c(S[C@H](C)C(=O)Nc2nccs2)nnc1-c1ccccc1C 9199753 NYNOHAWTUQVIHN-GFCCVEGCSA-N 373.507 3.849 0 40 FHAB CC(=O)c1ccc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)cc1 4648680 VXSJXGKGYMPKRR-UHFFFAOYSA-N 355.434 3.587 0 40 FHAB Cc1noc(CNC(=O)N2CCC(c3cccc4ccccc34)CC2)n1 66205340 AOBRDNBXUPBCHC-UHFFFAOYSA-N 350.422 3.620 0 40 FHAB CC(C)c1ccc(OCC(=O)NC(=S)Nc2ccc(Cl)cn2)cc1 4703960 DFEGKGOCEZGNGT-UHFFFAOYSA-N 363.870 3.750 0 40 FHAB COc1ccc(-c2n[nH]c(SCC(=O)N[C@@H](C)c3cccs3)n2)cc1 9155287 GNBHCUBYYUSIQN-NSHDSACASA-N 374.491 3.511 0 40 FHAB O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(F)c(F)c1 4934914 WVQKXQYBFSDYPH-UHFFFAOYSA-N 361.373 3.669 0 40 FHAB CC[C@@H](C)n1c(S[C@H](C)C(=O)NC2CCCC2)nc2ccccc2c1=O 7237527 RFYGLPHIWVOZJB-ZIAGYGMSSA-N 373.522 3.907 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)c1cnc(Cl)c(Cl)c1 7643996 PHVWHOHVYHZBQY-UHFFFAOYSA-N 352.221 3.781 0 40 FHAB Cc1cccc2nc(CN(C)Cc3ccc(Cl)cc3Cl)cc(=O)n12 7606077 UIFSVRLHRUDYBT-UHFFFAOYSA-N 362.260 3.942 0 40 FHAB O=C(CCc1cccnc1)Nc1nc(-c2ccc3c(c2)CCO3)cs1 9339379 HTIJFBKVVMUMLO-UHFFFAOYSA-N 351.431 3.711 0 40 FHAB O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1ccccc1Cl 9387599 KIJGNHFAERFBSL-UHFFFAOYSA-N 361.810 3.823 0 40 FHAB CC(=O)c1ccccc1NC(=O)CNc1ccccc1N1CCCCC1 7973168 HQDIQBPIFCXJNV-UHFFFAOYSA-N 351.450 3.930 0 40 FHAB Cc1ccccc1-n1cnnc1SCC(=O)NCCC1=CCCCC1 7985237 UIRSHMRQHMHCNA-UHFFFAOYSA-N 356.495 3.675 0 40 FHAB CCc1oc2ccccc2c1/C=C/C(=O)N1CCCC[C@@H]1C1OCCO1 69198882 PMQNVWHMEORTTI-SXSDINLZSA-N 355.434 3.762 0 40 FHAB O=C(C[C@@H](O)c1cccc(F)c1)Nc1ccc(-c2nc(C3CC3)n[nH]2)cc1 91437126 GCSYSUDIXMTIIK-QGZVFWFLSA-N 366.396 3.550 0 40 FHAB Cc1ccc(CN(C)Cc2cc(=O)n3c4c(sc3n2)CCCC4)cc1 8406047 UFMCLWJRFUEJLW-UHFFFAOYSA-N 353.491 3.575 0 40 FHAB COc1ccccc1C1(c2nnc(Cc3ccccc3F)o2)CCOCC1 71890010 PVASSRZNMJEYCX-UHFFFAOYSA-N 368.408 3.905 0 40 FHAB CC(=O)N1CCCCC[C@@H]1C1CCN(c2ncnc3ccsc23)CC1 71889368 LXIGIRJULOVLOW-QGZVFWFLSA-N 358.511 3.699 0 40 FHAB CO[C@H](C(=O)Nc1cccc(CN2CCSCC2)c1C)c1ccccc1 72048927 HXKGXKNBGJQZBI-FQEVSTJZSA-N 370.518 3.870 0 40 FHAB CCOc1ccc(OCC)c(-c2csc(NC(=O)c3cnccn3)n2)c1 9835603 HKUFDXSDBWRTQY-UHFFFAOYSA-N 370.434 3.650 0 40 FHAB C[C@@H](OCc1ccccc1)C(=O)N1CCN([C@H](C)c2cccc(F)c2)CC1 89905210 NTJAZVFPBFBYCS-QZTJIDSGSA-N 370.468 3.636 0 40 FHAB CCCNC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1C 408609306 SMDXRRUJDANUQC-UHFFFAOYSA-N 366.870 3.589 0 40 FHAB COc1ccc(OCCCC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1 20460389 RJHDBQGBZKQPAO-HNNXBMFYSA-N 373.449 3.749 0 40 FHAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(NC(=O)c4ccccc4)cc3)C(=O)[C@H]21 408672949 POWDSLVDQRZCGP-CCKFTAQKSA-N 360.413 3.641 0 40 FHAB Cc1ccc(C)c(CS(=O)(=O)CC(=O)N(c2ccccc2)C(C)C)c1 32929612 KMFBPTGFQYVHMA-UHFFFAOYSA-N 359.491 3.660 0 40 FHAB CCn1c(COc2ccccc2)nnc1SCc1ccc(C(=O)OC)o1 408554540 UCMAZIGYSITDGV-UHFFFAOYSA-N 373.434 3.549 0 40 FHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 216205348 WRJRCZGDIAPEDI-GGPKGHCWSA-N 360.542 3.945 0 40 FHAB CCCc1nc(C)sc1C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 72403706 CQJHIIWQZSLDTP-UHFFFAOYSA-N 368.462 3.621 0 40 FHAB CCCOc1ccc(-c2nc(NC(=O)COc3ccccc3)no2)cc1 32623638 PTMYCELJYSAUCA-UHFFFAOYSA-N 353.378 3.543 0 40 FHAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCc1nc(-c2ccccc2)no1 32594022 HYTRRRYEZHFDAS-CYBMUJFWSA-N 371.824 3.516 0 40 FHAB CC(C)C(=O)Nc1ccc(NC(=O)N(C)CCOc2ccc(F)cc2)cc1 40104008 HKKFKIBMJKEVJA-UHFFFAOYSA-N 373.428 3.963 0 40 FHAB C[C@H](NC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C)c1ccc(F)cc1 223097965 ICFFKGVBDPEMFZ-STQMWFEESA-N 350.393 3.749 0 40 FHAB CCCOCc1cc(C(=O)NCCc2ccc(OC)cc2)ccc1OC 224411218 XIUSWFUKASZESW-UHFFFAOYSA-N 357.450 3.603 0 40 FHAB CCCSc1nnc(NC(=O)[C@H](CC)Oc2ccccc2OC)s1 224040440 SNAPXZOANHPBMX-NSHDSACASA-N 367.496 3.845 0 40 FHAB COc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1C 224002512 IFHUXZNHEVJUHW-UHFFFAOYSA-N 352.434 3.882 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NC(C)C 44844157 VMRBOKXHKVFUID-SFHVURJKSA-N 358.413 3.760 0 40 FHAB CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)cc1 222751308 LPKXATYMGNNWNU-MSOLQXFVSA-N 352.438 3.614 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 224776418 QVJPDFAATVXLQR-LJQANCHMSA-N 366.505 3.789 0 40 FHAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CC 224153278 OZXKURLXFIMWDL-NRFANRHFSA-N 366.505 3.871 0 40 FHAB COc1ccc(-c2noc(CNC(=O)[C@@H](C)Sc3ccccc3)n2)cc1 95481659 PMNHALSAZJZINU-CYBMUJFWSA-N 369.446 3.542 0 40 FHAB O=C1CC[C@]2(CCCN(Cc3cccs3)CC2)N1Cc1ccncc1 96218086 XKRUOMQAKFVGPT-FQEVSTJZSA-N 355.507 3.690 0 40 FHAB CN(C)C1CCN(c2cccc(Br)c2C(F)(F)F)CC1 95080853 LEGRFQWZNGDVOY-UHFFFAOYSA-N 351.210 3.998 0 40 FHAB O=C(N[C@@H]1CCCc2c1[nH]c1ccc(F)cc21)c1n[nH]c2c1CCCC2 96117093 BVTHUYFSZICJQW-QGZVFWFLSA-N 352.413 3.716 0 40 FHAB Cc1ccn2c(CN3CCCC[C@H]3c3nnc([C@H]4CCCO4)o3)cnc2c1 583621935 VYHWITPIYRCUHN-DLBZAZTESA-N 367.453 3.604 0 40 FHAB O=C1CCC(Cc2nc(-c3ccc(OCCN4CCCC4)cc3)no2)CC1 585084257 SZIPDLISISAJKY-UHFFFAOYSA-N 369.465 3.513 0 40 FHAB Cc1ccc(-c2nn3c(CSCc4ccccc4)nnc3s2)cn1 1772491207 MUISWEKWZUTIOZ-UHFFFAOYSA-N 353.476 3.990 0 40 FHAB COc1cc(Br)c(CNc2cccc(C(=O)O)c2)cc1OC 386205676 XTRSWVFZQZSPDF-UHFFFAOYSA-N 366.211 3.777 0 40 FHAB CCc1cnc(O)c(C(=O)N[C@H](CC)c2ncc(-c3ccccc3)[nH]2)c1 667113242 GSRLUMGOMQKSKA-MRXNPFEDSA-N 350.422 3.621 0 40 FHAB COc1cccc([C@H](NC(=O)[C@H]2CC23CCOCC3)c2ccccc2)c1 1179321186 SCUGBDGEVACYCH-WOJBJXKFSA-N 351.446 3.718 0 40 FHAB CCN(CC(F)(F)F)C(=O)c1sc(NC(=O)c2ccco2)cc1C 95350035 BUUNRMWKTONWBZ-UHFFFAOYSA-N 360.357 3.926 0 40 FHAB O=C(NC[C@H]1CCN(c2ccccc2)C1)N[C@H](C1CCCC1)C(F)(F)F 108396340 GRTXTPCQUUMRMH-RHSMWYFYSA-N 369.431 3.933 0 40 FHAB N=C1NC(=O)/C(=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)S1 3032189 KKNBWYYEZHKDAJ-ZROIWOOFSA-N 358.806 3.698 0 40 FHAB COc1ccc(CCNC(=O)COc2ccccc2C(C)C)cc1OC 5414103 JSPZTZPIOZWXMP-UHFFFAOYSA-N 357.450 3.565 0 40 FHAB Cc1nc2ccc(C(=O)Nc3cnc4c(cnn4C(C)C)c3)cc2nc1C 13005769 BBGZVQDPAWCPEV-UHFFFAOYSA-N 360.421 3.825 0 40 FHAB CCNc1c(NC(=O)COc2ccccc2C)c(=O)oc2ccccc12 13364914 SPPTUTHLXBVCCA-UHFFFAOYSA-N 352.390 3.551 0 40 FHAB FC(F)(F)c1nc(C2CC2)ncc1-c1nnnn1-c1ccc(Cl)cc1 16429834 HCBUDZVVCHXJPB-UHFFFAOYSA-N 366.734 3.669 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CN(C[C@@H](O)c1ccc(C)cc1C)CC3 19132537 BTJGHBDZVPZKOS-JOCHJYFZSA-N 350.462 3.885 0 40 FHAB COC(=O)c1ccc2c(=O)c(-c3ccc4c(c3)OCCCO4)c(C)oc2c1 11667642 IKVOIWYQAXXKQB-UHFFFAOYSA-N 366.369 3.716 0 40 FHAB COC1(c2nc(C3CC3)no2)CCN(CCc2ccccc2Cl)CC1 583615881 ISLOALUIHGWNNA-UHFFFAOYSA-N 361.873 3.781 0 40 FHAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1cc2ccccc2c(=O)[nH]1 29854661 AKECKDFEUSLVET-HNNXBMFYSA-N 354.406 3.634 0 40 FHAB Cc1ccc(NC(=O)NC(=O)CSc2nc3ccccc3o2)c(C)c1 3503777 MJQXQIYQKDEVQF-UHFFFAOYSA-N 355.419 3.885 0 40 FHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCC(C)CC1 10042803 MRFOTSPSRVCGEM-UHFFFAOYSA-N 350.466 3.690 0 40 FHAB CN(Cc1nc2ccccc2s1)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 10078601 WWPBSHIFCMDQRB-ZDUSSCGKSA-N 369.421 3.520 0 40 FHAB COc1cccc(NC(=O)[C@H](C)Sc2nnc(C3CC3)n2C2CC2)c1 7903643 KOKCKMXXQAKWMR-NSHDSACASA-N 358.467 3.618 0 40 FHAB O=C(CCC(=O)N1CC[C@H](Oc2ccc3ccccc3n2)C1)c1ccccc1 244950802 FMLMXQCRARNUPS-IBGZPJMESA-N 374.440 3.878 0 40 FHAB Cc1ccc(-c2nnc(NCCCN3CCOCC3)c3ccccc23)cc1 2888955 HOMKYLYESZMGSY-UHFFFAOYSA-N 362.477 3.739 0 40 FHAB Cc1cccc(CSc2ncnc3c2nnn3-c2ccc(F)cc2)c1 4166709 JSGFNXKMMHSSQU-UHFFFAOYSA-N 351.410 3.950 0 40 FHAB O=C(c1cccn(Cc2ccc(Cl)cc2)c1=O)N1CCc2ccccc21 5269456 WZHBVBVNBNHKML-UHFFFAOYSA-N 364.832 3.753 0 40 FHAB COCCn1c([C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)nc2ccccc21 7543953 XWBMAEDYOMYAJB-KRWDZBQOSA-N 363.461 3.820 0 40 FHAB O=C(CCSc1ccccc1)NC[C@H](c1ccsc1)n1cccn1 575612914 DCUIBMGQOXQFMU-QGZVFWFLSA-N 357.504 3.833 0 40 FHAB C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cc2c([nH]c1=O)CCCCC2 78137800 NSKYTASMUARPSF-RHSMWYFYSA-N 368.452 3.801 0 40 FHAB O=C(c1ccc(-n2cccn2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 25841605 VHJBWXXAXGMNNW-UHFFFAOYSA-N 371.444 3.768 0 40 FHAB CCOc1cc2c(cc1NC(=O)c1cc3c(C)nn(C)c3s1)O[C@@H](C)C2 10467799 ZQTLUXFNWGQPQX-JTQLQIEISA-N 371.462 3.918 0 40 FHAB CCN(C(=O)[C@H](C)S(=O)(=O)Cc1ccccc1Cl)c1ccccc1 40106059 UIVAOFGABSHEGW-AWEZNQCLSA-N 365.882 3.696 0 40 FHAB Cc1cc2c(nc1C)oc1c(=O)n(CC(=O)c3ccc(Cl)cc3)cnc12 40287059 FXILRVLVPFYFRO-UHFFFAOYSA-N 367.792 3.691 0 40 FHAB CCCN(C(=O)CSc1nnnn1-c1ccccc1C)C1=CCCCC1 32719016 ZNBXTAMEHGJQNJ-UHFFFAOYSA-N 371.510 3.759 0 40 FHAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1c[nH]c2ccccc2c1=O 32820964 QKPJTPWBUXGNTI-INIZCTEOSA-N 354.406 3.634 0 40 FHAB O=C(CCC(=O)c1ccc(Br)cc1)NCCc1cccs1 17909519 AHMXJYWSGKTNOM-UHFFFAOYSA-N 366.280 3.832 0 40 FHAB CCCn1c(SCC(=O)N2CCCC[C@@H]2CC)nnc1-c1ccccn1 1362820 TYECHZXYNQMGEM-HNNXBMFYSA-N 373.526 3.633 0 40 FHAB COc1ccc(/C=C2\N=C3SCN(c4ccccc4F)CN3C2=O)cc1 12324683 GFWBBFIGZINXFW-YBEGLDIGSA-N 369.421 3.542 0 40 FHAB CC(C)(C)OC(=O)N1CCN(C(=O)Nc2cccnc2)C2(CCCCC2)C1 79112125 YEDQPKUFUPKNMO-UHFFFAOYSA-N 374.485 3.869 0 40 FHAB OC1=Nc2[nH]ncc2[C@@H](c2cccc(OCc3ccccn3)c2)SC1 79485850 DRZVZNSMQYQARY-QGZVFWFLSA-N 352.419 3.808 0 40 FHAB C[C@@H]1CN(C(=O)CSc2nc(-c3ccc(F)cc3)cs2)C[C@@H](C)O1 3473060 FNYXKHNPAICMNM-VXGBXAGGSA-N 366.483 3.677 0 40 FHAB COC(=O)c1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2cccc(Cl)c2)C(=O)N1 4852851 XNFGFTUWPDVFST-DNVCBOLYSA-N 372.808 3.896 0 40 FHAB CC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=S)Nc1ccc(Cl)cc1 4888335 GXBQMZBKDGFALM-MQVJKMGUSA-N 351.903 3.558 0 40 FHAB CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc3ccccc13)CC(=O)N2 4944293 UCIPDVALXWVEJL-AWEZNQCLSA-N 351.431 3.509 0 40 FHAB CCCCNC(=O)Nc1nn(Cc2ccc(F)cc2)cc1Br 6649073 BRVGMKBTYQCBLE-UHFFFAOYSA-N 369.238 3.755 0 40 FHAB O=C(Oc1ccccc1Cl)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 7928892 NLEVNYZDJGGKPB-NSHDSACASA-N 350.201 3.952 0 40 FHAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 802541 MKNVMEQKRQKUTI-UHFFFAOYSA-N 356.403 3.641 0 40 FHAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)cc1 876249 JBTVKGSSPCDRHW-UHFFFAOYSA-N 368.462 3.530 0 40 FHAB CCCn1c(=N)n(CC(=O)Nc2ccccc2OC(F)F)c2ccccc21 23243387 OOJOINOMCPNVKI-UHFFFAOYSA-N 374.391 3.572 0 40 FHAB Cc1cccc(NC(=O)c2cccnc2SCc2c(C)noc2C)n1 24987024 JKFWGXYNTNBBLF-UHFFFAOYSA-N 354.435 3.934 0 40 FHAB O=C(Nc1cccc(Cn2ccnc2)c1)[C@@H]1Cc2cc(Cl)ccc2O1 25175139 MVTSRAUUXIPVKO-SFHVURJKSA-N 353.809 3.527 0 40 FHAB Cc1cc2ncn(C3=CC(=O)N(c4ccc(Cl)cc4)C3=O)c2cc1C 1441516 SIPADVQHZTWDMW-UHFFFAOYSA-N 351.793 3.721 0 40 FHAB CCOC(=O)c1ccc(N2CCC(C(=O)c3ccc(C)cc3C)CC2)nc1 25576699 SJLURCQUTOOFHH-UHFFFAOYSA-N 366.461 3.974 0 40 FHAB O=C(COC(=O)c1ccc(Cl)cc1)Nc1ncc(Cl)cc1Cl 3252979 GUFNAYLFVSGWLI-UHFFFAOYSA-N 359.596 3.837 0 40 FHAB O=C(NC[C@H]1CCCO1)c1ccccc1SCc1cn2ccccc2n1 108447977 CDKLATVFYBMQKX-MRXNPFEDSA-N 367.474 3.535 0 40 FHAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]32)ccc1O 59824420 KNUWZJNVRUBDEL-MHRRYADESA-N 361.488 3.803 0 40 FHAB CN(C)C(=O)[C@H](c1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 12689543 MEFXITHJOAQDJI-FQEVSTJZSA-N 363.461 3.837 0 40 FHAB COC(=O)c1occc1CSc1nnc2cc(C)c3ccccc3n12 12641420 ZEBUHWSUYUDLNV-UHFFFAOYSA-N 353.403 3.863 0 40 FHAB CC1CCN([C@H](CNC(=O)c2csc(-c3ccccn3)n2)C(C)C)CC1 58004659 YGKAHBGVLUKYCP-GOSISDBHSA-N 372.538 3.691 0 40 FHAB O=C(COC(=O)/C=C/c1cccc(Cl)c1)Nc1cccnc1Cl 3393786 BGKGCLLYDAVVHR-VOTSOKGWSA-N 351.189 3.584 0 40 FHAB C[C@@H](CCc1ccccc1)CC(=O)NC1CCN(Cc2ccccn2)CC1 58370768 XMJVEWALRFMBQI-IBGZPJMESA-N 365.521 3.821 0 40 FHAB COc1ccc(NC(=O)[C@H](Nc2ccn(C)n2)c2ccccc2)cc1Cl 10752043 JOBFECMFJFKEEZ-GOSISDBHSA-N 370.840 3.874 0 40 FHAB Cc1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1NS(C)(=O)=O 10370315 BPBHOCJECCUFKP-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB O=c1c2ccccc2nc(CN2CCc3ccccc3C2)n1Cc1ccco1 12876604 JCGLALHREFCHTL-UHFFFAOYSA-N 371.440 3.596 0 40 FHAB C[C@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(-c2ccccc2)cc1 29097882 NAUJIVCDNNKLLR-INIZCTEOSA-N 369.428 3.820 0 40 FHAB Cc1csc(N(C(=O)c2cccc(S(C)(=O)=O)c2)c2ccccc2)n1 8778467 KFNOAYPIQNABOS-UHFFFAOYSA-N 372.471 3.834 0 40 FHAB O=C(Cn1c(=O)sc2ccccc21)Nc1nc(-c2ccccc2)cs1 8743704 RQMHJHHOOSASPI-UHFFFAOYSA-N 367.455 3.825 0 40 FHAB CC1CCN(C(=O)[C@H](C)S(=O)(=O)Cc2ccc(C(C)(C)C)cc2)CC1 46107258 SAGJDPMMFGCCNS-INIZCTEOSA-N 365.539 3.546 0 40 FHAB Cc1ccc(C(=O)N[C@H](C(=O)NCc2ccc(Cl)cc2)C(C)C)cc1 2651619 AKFGUZBCPBIUNX-SFHVURJKSA-N 358.869 3.719 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H]2Cc3ccccc3S2)c(C)c1 12994413 SLMUGCCNCDRMIW-KDOFPFPSSA-N 355.459 3.891 0 40 FHAB CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)c2cc(C)oc2C)cc1 12945030 PJPYKFJJELSCMO-UHFFFAOYSA-N 366.417 3.692 0 40 FHAB O=c1[nH]c(CSc2nnc(C3CC3)n2C2CC2)nc2cc(Cl)ccc12 8704038 QEJULXAJBPWFEV-UHFFFAOYSA-N 373.869 3.673 0 40 FHAB O=C1S/C(=C/c2ccc(Br)cc2)C(=O)N1CN1CCCC1 19202216 OJPRKEYHGQGUNI-UKTHLTGXSA-N 367.268 3.539 0 40 FHAB CCCc1cc(-c2nc(C)c(C(=O)NCc3cccnc3)s2)ccn1 13733868 URSMUSCRXWSSFT-UHFFFAOYSA-N 352.463 3.791 0 40 FHAB COC(=O)c1ccc(CSc2nc(-c3ccccc3)cc(=O)[nH]2)cc1 5154874 JEHUKNJWBBQUSV-UHFFFAOYSA-N 352.415 3.516 0 40 FHAB C[C@H](Oc1ccc(C(=O)N=c2[nH]c3ccccc3[nH]2)cn1)c1ccccc1 65488314 HUIJCTKNOXRRPH-AWEZNQCLSA-N 358.401 3.772 0 40 FHAB CSc1nc2ccc(NC(=O)c3ccc4c(c3)NC(=O)CO4)cc2s1 14184040 IWYCISBRBIRSSQ-UHFFFAOYSA-N 371.443 3.601 0 40 FHAB CS(=O)(=O)NCCc1ccc(-c2csc(-c3ccccc3)n2)cc1 14102740 IGFKGPWRCFNRLW-UHFFFAOYSA-N 358.488 3.569 0 40 FHAB CN(Cc1ccc(Cl)cc1)Cn1nc(-c2cccnc2)n(C)c1=S 14122954 MQQPEPMQULLAML-UHFFFAOYSA-N 359.886 3.756 0 40 FHAB CSCC[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1nc2ccccc2[nH]1 9155902 CNZOZZAQEAQDKG-OAHLLOKOSA-N 369.446 3.516 0 40 FHAB C[C@@H](NC(=O)CSc1nc2ncc(Cl)cc2[nH]1)c1cccs1 9114101 BALCKDFMBVVLGF-MRVPVSSYSA-N 352.872 3.642 0 40 FHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)Nc1ccccc1 9156277 LKTGMKJJSUYUSC-UHFFFAOYSA-N 362.227 3.518 0 40 FHAB Fc1ccc(CNC2(Cc3cc(-c4ccc(F)cc4)on3)COC2)cc1 67897869 XHQQNNNEDLSGAB-UHFFFAOYSA-N 356.372 3.721 0 40 FHAB biogenic,in-vitro COc1ccc([C@@H](CNC(=O)c2cc(F)c(F)cc2Cl)N(C)C)cc1 5958726 JFZZJYWIVRSDMG-QGZVFWFLSA-N 368.811 3.660 0 40 FHAB CC(C)n1cc2c(n1)[C@H](NC(=O)C1(c3ccccc3)CCOCC1)CCC2 96002836 JTUHLGSNXWHOQC-LJQANCHMSA-N 367.493 3.706 0 40 FHAB O=C1CCCN1c1ccc(CNCc2ccccc2Br)cc1 15580802 MHMWZQOGPIBRGA-UHFFFAOYSA-N 359.267 3.866 0 40 FHAB COc1cc(NC(=O)N(C)Cc2ccc(C)cc2)ncc1Br 96013165 HIDDVHQLKGZRDS-UHFFFAOYSA-N 364.243 3.825 0 40 FHAB O=C(COC(=O)Cc1ccccc1Cl)Nc1ccc(F)cc1Cl 7535583 NTOIYPFONYCLJE-UHFFFAOYSA-N 356.180 3.857 0 40 FHAB O=C(Nc1ccc(F)cc1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 7638535 UDNFFRQHJUVWTA-UHFFFAOYSA-N 374.371 3.874 0 40 FHAB Cc1nnc(S[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)n1C1CC1 7617679 VNTVWEUGCNENDL-SJKOYZFVSA-N 356.495 3.596 0 40 FHAB Cc1ccccc1NC(=O)Cc1nc(-c2ccc3c(c2)CC(=O)N3)cs1 7987660 ORAZBZHBMFZKCQ-UHFFFAOYSA-N 363.442 3.794 0 40 FHAB Oc1ccc(-n2nnnc2SCc2csc(-c3cccs3)n2)cc1 9366452 NOCLTSDCMIZAFX-UHFFFAOYSA-N 373.488 3.845 0 40 FHAB CC(C)N(C(=O)CN(C)CC(=O)Nc1c(Cl)cccc1Cl)C(C)C 8152562 IGRVCUXJXOMEPE-UHFFFAOYSA-N 374.312 3.509 0 40 FHAB O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)N1CCCCCC1 8261666 UXGXSAYODFRZLA-MRXNPFEDSA-N 357.523 3.878 0 40 FHAB COc1ccc([C@@H]2CC(=O)Nc3ncn(-c4cccc(Cl)c4)c32)cc1O 96335704 FFAUFZHQUYZSCB-AWEZNQCLSA-N 369.808 3.714 0 40 FHAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)CS2 9721502 ZFIABTPXJQSQSU-OXQOHEQNSA-N 368.458 3.871 0 40 FHAB O=C(CCc1ccc(F)cc1)N1CCN(C/C=C/c2ccccc2)CC1 62093008 PYIHUVYKBNOIAX-QPJJXVBHSA-N 352.453 3.616 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1nccc2ccccc12 72330292 FYBONQNEHJTQNF-UHFFFAOYSA-N 354.793 3.992 0 40 FHAB O=C(OCc1ncn(-c2ccccc2)n1)C1(c2cccc(Cl)c2)CC1 95456222 ZZDCUYMNBXUCSA-UHFFFAOYSA-N 353.809 3.696 0 40 FHAB CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl 20046872 SJKROLLQLMEEPL-UHFFFAOYSA-N 366.870 3.589 0 40 FHAB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccncc3)c2C)C1=O 409245389 SAZDONZKUQNCKZ-SFQUDFHCSA-N 371.462 3.562 0 40 FHAB COc1ccc(Cl)cc1C(=O)NC[C@H](O)c1ccccc1C(F)(F)F 60127664 JGCDXIXZDRKFLU-AWEZNQCLSA-N 373.758 3.831 0 40 FHAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)C(C)C 408626427 HHGYIHFJUGXVEH-UHFFFAOYSA-N 369.446 3.972 0 40 FHAB O=C(Nc1ccccc1Br)c1cc(-c2ccccc2O)n[nH]1 72427466 BKNMRKKHCZNMNQ-UHFFFAOYSA-N 358.195 3.797 0 40 FHAB C[C@](O)(CCc1ccccc1)CNC(=O)c1ccc(C(F)(F)F)cc1 62021454 UDKZWLCYTLSUEG-SFHVURJKSA-N 351.368 3.819 0 40 FHAB CCCCCNc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1 217506013 OWKSKYNSBDHINL-UHFFFAOYSA-N 362.451 3.788 0 40 FHAB CC1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccc(C(F)(F)F)c1 71979882 KCMDQYSSIMDGED-WKXXDYOBSA-N 371.355 3.537 0 40 FHAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 223045595 PEHJJQOQQAUEGJ-IBGZPJMESA-N 366.505 3.871 0 40 FHAB CC[C@@](C)(OC)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1 225602833 ZWCFTZKRMIGANJ-OAQYLSRUSA-N 362.514 3.941 0 40 FHAB CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(C)c2)c1 224137092 XOJKVYBZCBGRNK-INIZCTEOSA-N 374.506 3.739 0 40 FHAB Cc1ccc(C)c(O[C@H](C)C(=O)NCc2ccc(-n3ccnc3C)cc2)c1 44949021 DWJWRMCMXJKRRD-QGZVFWFLSA-N 363.461 3.881 0 40 FHAB CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(C)c1 224645447 YDAUXQVIINRICB-UHFFFAOYSA-N 369.870 3.881 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)c1 42711351 MKHUGMQMDGMRQA-UHFFFAOYSA-N 355.438 3.863 0 40 FHAB O=C(NC[C@H]1CCCO1)c1ccccc1NC(=S)Nc1ccc(F)cc1 225459960 JHKFUALSCQJDER-OAHLLOKOSA-N 373.453 3.543 0 40 FHAB Cc1ccccc1-c1noc(CNC(=S)Nc2ccc(F)cc2F)n1 225828806 JBFRLZRAEXPPQD-UHFFFAOYSA-N 360.389 3.810 0 40 FHAB Cc1cc(NC(=O)N[C@@H]2C[C@H](C)n3ccnc32)cnc1N1CCCC[C@@H]1C 333294317 BFWGBDPMBFVUQM-YQQAZPJKSA-N 368.485 3.793 0 40 FHAB O=C(Nc1ccccc1C(F)(F)F)N1CCC(Oc2cnccn2)CC1 90678121 DFPYZDVBYQZFIN-UHFFFAOYSA-N 366.343 3.571 0 40 FHAB O=C(NC[C@H](c1ccoc1)N1CCSCC1)c1ccc(F)cc1Cl 253408965 ZDLBKUHXPGBTKR-MRXNPFEDSA-N 368.861 3.592 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)N1CCC(Oc2ccncc2Cl)CC1 253472507 MVGJHLAHWOXKGQ-CQSZACIVSA-N 360.841 3.572 0 40 FHAB COCCC(=O)N[C@@]1(C)C[C@H](c2ccccc2O)O[C@@H]2C[C@H](C)CC[C@H]21 257321683 WCSPFEJPPCOCGF-DDAMMTDISA-N 361.482 3.570 0 40 FHAB O=C(/C=C/c1ccco1)NCc1cc(-c2ccncc2)n(C2CCCC2)n1 85556425 IDBGIHCSAISGPS-BQYQJAHWSA-N 362.433 3.983 0 40 FHAB CCCSCc1nnc2sc(-c3cc(OC)cc(OC)c3)nn12 1772491243 BOZOJPMKUCOMSH-UHFFFAOYSA-N 350.469 3.513 0 40 FHAB CC(C)(C)OC(=O)Nc1cc(Cl)c(I)cn1 575435690 BQQJKAKSYWWJNW-UHFFFAOYSA-N 354.575 3.687 0 40 FHAB COC(=O)CCCCCOc1ccc(OCCCCCC(=O)OC)cc1 144275283 WIWOXDXXJGGZPB-UHFFFAOYSA-N 366.454 3.911 0 40 FHAB COc1cc(OC)c(C2CCN(CCC(C)(C)OC)CC2)c(OC)c1 682518042 FAXXBHXIMHTQDA-UHFFFAOYSA-N 351.487 3.707 0 40 FHAB O=C(C1CC1)N1CCC(C(=O)N2CCC[C@@H]2c2ccccc2Cl)CC1 55778447 RQIORTQWDZQNEZ-GOSISDBHSA-N 360.885 3.652 0 40 FHAB COc1ccc(-c2nc(CN(CCO)[C@@H]3CCc4ccccc43)co2)cc1 74311689 PCZGWBOENOQWOB-OAQYLSRUSA-N 364.445 3.832 0 40 FHAB CCOc1ccccc1CN1CCC[C@H](n2c(=O)oc3ccccc32)C1 12119118 JNWQBDJYDCYTPV-KRWDZBQOSA-N 352.434 3.830 0 40 FHAB Cc1ncc(-c2onc(C)c2C)c(CCNC(=O)CC2CCCCC2)n1 12671283 KUQMKVVFTQDLDI-UHFFFAOYSA-N 356.470 3.686 0 40 FHAB COc1ccc(-c2noc([C@H](C)NC(=O)c3ccccc3Cl)n2)cc1 13495099 ZWALWMMDZFNNCD-NSHDSACASA-N 357.797 3.890 0 40 FHAB CC[C@@H](C(=O)Nc1ccccc1C(C)C)N(c1ccccc1)S(C)(=O)=O 13711451 IUCYFQMRLKMKTN-IBGZPJMESA-N 374.506 3.993 0 40 FHAB C[C@@H]1Sc2ccc(C(=O)Nc3ccc(F)c(F)c3F)cc2NC1=O 15001616 KJRDJUAXVWCKDT-ZETCQYMHSA-N 352.337 3.789 0 40 FHAB CC(C)(C)C(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 16756233 DUOPLPGYFUDMDM-UHFFFAOYSA-N 356.451 3.689 0 40 FHAB Cc1ccc2nc(C(=O)N3CCC[C@@H](COc4ccc(F)cc4)C3)cn2c1 19234340 BWIRIDJDOJSQFX-MRXNPFEDSA-N 367.424 3.713 0 40 FHAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCCC[C@@H]2CN2CCCCCC2)n1 19572884 ZIPBHABVJLPPRW-VQTJNVASSA-N 360.546 3.708 0 40 FHAB COc1ccccc1-c1noc(C)c1C(=O)NC[C@H](C)N1CCC(C)CC1 19579680 RKFFDNADZYYNKM-HNNXBMFYSA-N 371.481 3.509 0 40 FHAB COc1cc(OC)c(OC)cc1/C=C1\N=C(c2ccc(C)c(C)c2)OC1=O 1515380 MTLYLORPSMCLJS-SXGWCWSVSA-N 367.401 3.674 0 40 FHAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2C)ccc1Cl 156741520 LYCSFKDIYNUFFY-UHFFFAOYSA-N 353.827 3.544 0 40 FHAB O=S1(=O)CCN2C(c3ccc(Oc4ccccc4)cc3)=CSC2=N1 3189320 YASQJXYPMDSHEL-UHFFFAOYSA-N 358.444 3.526 0 40 FHAB Cc1cc(Nc2nccs2)nc([C@@H]2CCCN(Cc3cccnc3)C2)n1 2037835922 KMANMFVEQVKTGU-MRXNPFEDSA-N 366.494 3.760 0 40 FHAB c1ccc2nc(N3CCC(COc4cc(C5CC5)ncn4)CC3)cnc2c1 1565519138 DXARSWVNPSAOKY-UHFFFAOYSA-N 361.449 3.593 0 40 FHAB Cc1cc(C)cc(-n2ccnc(SCC(=O)c3ccc(F)cc3)c2=O)c1 4484282 QYSMOHGHKNLZRW-UHFFFAOYSA-N 368.433 3.963 0 40 FHAB O=S(=O)(Cc1nc(-c2cccc(Cl)c2)no1)c1ccc(F)cc1 23126559 OSNJNKSRUKKLCP-UHFFFAOYSA-N 352.774 3.503 0 40 FHAB O=C(NC[C@@H]1CCCN(c2nccs2)C1)c1cccc2ccccc12 206834993 KVAFNKQNOBWIOQ-HNNXBMFYSA-N 351.475 3.943 0 40 FHAB CCSc1ccccc1C(=O)NC[C@]1(O)CCCc2cc(OC)ccc21 225710659 QKPDFYFCBGHLOQ-OAQYLSRUSA-N 371.502 3.761 0 40 FHAB Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)Nn1cnc2ccccc21 40087707 BFXJPSVVASLGJV-UHFFFAOYSA-N 367.359 3.501 0 40 FHAB CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)[C@@]2(C)CC2(Cl)Cl)c1 40122234 LQMHECQUDBFTJX-BDJLRTHQSA-N 357.281 3.871 0 40 FHAB CCOC(=O)N1CCN(C(=O)Nc2c(CC)ccc(Cl)c2CC)CC1 40103339 ZBHQBPWMZOGVMQ-UHFFFAOYSA-N 367.877 3.771 0 40 FHAB O=C(NC1CCN(c2ncccn2)CC1)c1ccccc1-c1ccccc1 40134390 DRUPEEAOAUKHIO-UHFFFAOYSA-N 358.445 3.542 0 40 FHAB Cc1nc(NC(=O)c2ccc(S(C)(=O)=O)cc2)sc1-c1ccccc1 31968125 XJCYLJADMODAPK-UHFFFAOYSA-N 372.471 3.774 0 40 FHAB COc1cccc(C2=C[C@@H](c3ccccc3OC(F)F)n3ncnc3N2)c1 101514285 SLVLFTQDIGXTFQ-INIZCTEOSA-N 370.359 3.944 0 40 FHAB CCOc1cccc2cc([C@H](C)NC(=O)c3ccc4[nH]nnc4c3)oc12 32744960 SASYPRBKBHKTOE-NSHDSACASA-N 350.378 3.594 0 40 FHAB Cc1ccc(N2N=C(C(=O)N(C)c3ccccc3)CCC2=O)cc1Cl 21441148 XDSDEFWEZUYIQZ-UHFFFAOYSA-N 355.825 3.794 0 40 FHAB C[C@@H](NC(=O)CCc1nc(-c2cccnc2)no1)c1cccc(Cl)c1 32824612 RWGJVLYIYJKOTK-GFCCVEGCSA-N 356.813 3.595 0 40 FHAB CNC(=O)c1cccc(CNC(=O)c2ccc(-c3ccccc3F)s2)c1 32816710 QSIXJBBLFWGVHY-UHFFFAOYSA-N 368.433 3.844 0 40 FHAB C[C@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1ccccc1F 32845051 SYABPHWTDAETNJ-BUXKBTBVSA-N 356.422 3.632 0 40 FHAB CCOc1ccc(C2=C[C@@H](c3ccccc3F)n3nnnc3N2)cc1Cl 102799277 AWZZJPWUMZZGJM-INIZCTEOSA-N 371.803 3.920 0 40 FHAB CCOc1ccc(NC(=O)CSCC(=O)Nc2ccccc2F)cc1 2887379 IBXYVOATPFXUQE-UHFFFAOYSA-N 362.426 3.535 0 40 FHAB CCO[C@H]1C[C@H](NC(=O)Cc2cc(C(C)=O)ccc2OC)C12CCCCC2 76042192 FYAYWUODQCRQDF-PMACEKPBSA-N 373.493 3.684 0 40 FHAB O=C(O)[C@@H](c1c[nH]c2ccccc12)N1CCN(c2cccc(Cl)c2)CC1 12324473 NGNJMFXYCUYTOK-LJQANCHMSA-N 369.852 3.769 0 40 FHAB COc1ccccc1C1=N/C(=C/c2ccc(Br)cc2)C(=O)O1 2920090 NCGFUGZUNKGHCC-GXDHUFHOSA-N 358.191 3.802 0 40 FHAB Cc1cc(O)c2c(C)c(CC(=O)NCc3cccc(Cl)c3)c(=O)oc2c1 4743225 PSKVZBOKZGLTGT-UHFFFAOYSA-N 371.820 3.628 0 40 FHAB CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@@H]1c1ccc(OC)c(OC)c1 4910055 ZVEZJDILYIWUDM-IBGZPJMESA-N 367.405 3.642 0 40 FHAB CN(Cc1ccsc1)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 22989892 USHILXROBWZCSO-UHFFFAOYSA-N 353.369 3.775 0 40 FHAB COc1ccccc1NC(=O)NC1(C(=O)N2CCC(C)CC2)CCCCC1 4981960 IUVROBJFAJNPIH-UHFFFAOYSA-N 373.497 3.778 0 40 FHAB CC(C)/N=c1\ccccn1C(=O)CCCc1nc(-c2cccs2)no1 104385254 HYVVSCJWYBMISS-XDJHFCHBSA-N 356.451 3.572 0 40 FHAB CNC(=O)c1ccc(NC(=O)N(Cc2cccc(F)c2)C2CC2)c(C)c1 47541659 FMISPJISGCIIDA-UHFFFAOYSA-N 355.413 3.690 0 40 FHAB C[C@@H](OC(=O)c1ccc2cc(O)ccc2c1)c1nc2ccccc2c(=O)[nH]1 8216891 YPWONRPQXGDDRD-GFCCVEGCSA-N 360.369 3.700 0 40 FHAB COc1ccc(Cl)cc1C(=O)N(C)Cc1c(C)nc2sc(C)cn12 8343847 KFAOLMNBSHZVHY-UHFFFAOYSA-N 363.870 3.947 0 40 FHAB CCNC(=O)NC(=O)[C@@H](Nc1cccc(C(F)(F)F)c1)c1ccccc1 8718880 FMIDJOUHMBFEOM-HNNXBMFYSA-N 365.355 3.704 0 40 FHAB O=C(NCCc1cccs1)c1cnc2c(cnn2Cc2ccccc2)c1 24829191 LULQPQGFIYQXST-UHFFFAOYSA-N 362.458 3.514 0 40 FHAB Cc1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 1336303 KGNPPZRIHCATOX-UHFFFAOYSA-N 365.429 3.501 0 40 FHAB CCc1ccccc1NC(=O)c1cccc(CN2C(=O)CSC2=O)c1 24990471 WJOYMRUVZLTGEM-UHFFFAOYSA-N 354.431 3.697 0 40 FHAB CNC(=O)c1ccc(N[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 12554502 IIKVMQNLINSUAP-LLVKDONJSA-N 365.355 3.504 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2cccs2)cc1 26310918 KDTQVNREAUIFNY-CQSZACIVSA-N 352.525 3.629 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1(c2ccccc2)CC1 26319632 ZLGHGYGZMRIEEL-UHFFFAOYSA-N 359.473 3.896 0 40 FHAB O=C(NCC1(c2cccc(C(F)(F)F)c2)CCCC1)N1CCC[C@H](O)C1 84364333 XTQUNAMAGPOTMO-INIZCTEOSA-N 370.415 3.684 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3C)n[nH]2)c(OC)c1 57413049 CTCQLJSVADAQTB-UHFFFAOYSA-N 355.369 3.794 0 40 FHAB COC(=O)c1cccc(NC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)c1 58158779 ALANDBJNYAAEJO-NSHDSACASA-N 364.348 3.957 0 40 FHAB Cc1ccc(C)c(Nc2nc(N3CCC(C)CC3)nc3c2cnn3C)c1 27666457 BQFDJATXIPVXLU-UHFFFAOYSA-N 350.470 3.960 0 40 FHAB C[C@@H]1CN(Cc2ccc(CNC(=O)c3ccc(F)cc3F)cc2)C[C@@H](C)O1 48275207 AOWCKKIEGUIEPC-HUUCEWRRSA-N 374.431 3.504 0 40 FHAB Cc1ccc(C(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)cc1F 58290926 OSCXCELHZHMWEE-UHFFFAOYSA-N 350.434 3.511 0 40 FHAB COc1cc(C(=O)Nc2cc(F)cc(N3CCCC3)c2)cc(OC)c1OC 58203280 KHPZMNNSECOKEN-UHFFFAOYSA-N 374.412 3.704 0 40 FHAB Cc1cccc(-n2ccnc2SCC(=O)N(C)c2ccc(O)cc2)c1C 10380343 NVTUKYJKHUKZBV-UHFFFAOYSA-N 367.474 3.950 0 40 FHAB COc1ccc(Cc2nnc3sc(-c4ccccc4F)nn23)cc1OC 10311754 FFAVCPVXMWPPOJ-UHFFFAOYSA-N 370.409 3.600 0 40 FHAB O=C(Nc1cccc(CN2CCOC2=O)c1)c1cc(-c2cccs2)on1 58369138 KQSUYOBXCOVJFU-UHFFFAOYSA-N 369.402 3.608 0 40 FHAB C[C@@H]1CCCN(C(=O)CSc2nnc(NCc3ccccc3)s2)C1 3318846 HCVQLCAPAFOYQP-CYBMUJFWSA-N 362.524 3.501 0 40 FHAB O=C(CSc1nn2c(-c3ccccc3)nnc2s1)c1ccccc1 28114430 SCMOJZYGOYNESL-UHFFFAOYSA-N 352.444 3.828 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)COc1ncnc2sc3c(c12)CCCC3 3318011 FJGOHWGAETWPLZ-JSGCOSHPSA-N 359.495 3.644 0 40 FHAB COc1cc(NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)cc(OC)c1 11052622 WOHLIZKUGNPNAH-CYBMUJFWSA-N 369.417 3.720 0 40 FHAB CCCN(C)C[C@@H]1CCN(CCC(=O)Nc2cccc3ccccc23)C1 72308820 DXSSDAKQZKAAGY-SFHVURJKSA-N 353.510 3.832 0 40 FHAB CC[C@@H]1SC2=NC(C)=C(C(=O)OC)[C@H](c3ccc(Cl)cc3)N2C1=O 2463389 JVOCKWNHCVYOMY-JSGCOSHPSA-N 364.854 3.552 0 40 FHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1c[nH]nc1-c1ccccc1 29049922 HZLLSJDNDDGWEU-UHFFFAOYSA-N 357.417 3.535 0 40 FHAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1sccc1C)CC3 29158087 YZBBTWRPOOMTDW-UHFFFAOYSA-N 354.431 3.523 0 40 FHAB C[C@H](NC(=O)NCc1ccc(N2CCCC2=O)cc1)c1ccc(F)c(F)c1 12801712 SAMMZOVKDALEEW-ZDUSSCGKSA-N 373.403 3.652 0 40 FHAB Cc1cccc2sc(C(=O)N3CCN(C(=O)C4CC4)CC3)c(Cl)c12 12853586 FAPLDONOYWJECE-UHFFFAOYSA-N 362.882 3.558 0 40 FHAB COc1ccc(CC(=O)Nc2cccc(OC(F)(F)F)c2)cc1OC 12887554 YJEBKAUKDXNGLA-UHFFFAOYSA-N 355.312 3.784 0 40 FHAB CC(=O)Nc1cccc(NC(=O)COc2ccc(Cl)cc2C(C)=O)c1 3476916 CTTNDVGYTFERRB-UHFFFAOYSA-N 360.797 3.519 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)cc1 3425849 ATINLWZAUNXGJO-UHFFFAOYSA-N 355.818 3.502 0 40 FHAB COc1ccc(NC(=O)COc2ccc(Cl)cc2C(C)=O)c(OC)c1 2643109 HTOCHAFSQYDNGN-UHFFFAOYSA-N 363.797 3.577 0 40 FHAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(N2C(=O)CCC2=O)cc1 3565803 IMPGYDNJNSHKKO-UHFFFAOYSA-N 362.307 3.611 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)C2(CC(=O)NC(C)(C)C)CCCC2)c1 8920276 NKUZDSAAXSJOFX-UHFFFAOYSA-N 374.481 3.585 0 40 FHAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)[C@H]1Cc2ccccc2O1 12997862 SFIRYXNJTVDVPJ-GOSISDBHSA-N 364.426 3.687 0 40 FHAB O=S1c2ccccc2N(S(=O)(=O)c2ccccc2)c2ccccc21 12936015 XADMEJNMIGIHDT-UHFFFAOYSA-N 355.440 3.694 0 40 FHAB C[C@H](NCC(=O)N1c2ccccc2NC(=O)C1(C)C)c1ccc(Cl)cc1 13039947 QUDBUVCSAUXJAL-ZDUSSCGKSA-N 371.868 3.755 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(N2C(=O)CCC2=O)c1 13140842 WIJNWICXQUIOED-UHFFFAOYSA-N 362.307 3.611 0 40 FHAB COc1ccc([C@@H](CC(=O)Nc2ccc(C)cc2Cl)NC(C)=O)cc1 9054393 DAUOGYRZSCHVOP-GOSISDBHSA-N 360.841 3.863 0 40 FHAB COc1cccc(NC(=O)[C@H](C)Sc2nncn2-c2ccccc2F)c1 6129268 OCRPZXABCBYYAA-LBPRGKRZSA-N 372.425 3.534 0 40 FHAB COc1ccc2c(c1)N(C(=O)c1csc(-c3ccccn3)n1)C[C@H](C)O2 172720477 UBXUIFGANDUZSI-LBPRGKRZSA-N 367.430 3.641 0 40 FHAB Cc1ccccc1-n1cnnc1S[C@H](C)c1nc2ccccc2c(=O)[nH]1 4492939 AKZGDYJYGRAMHY-CYBMUJFWSA-N 363.446 3.666 0 40 FHAB Cc1cccc(C)c1OCC(=O)Nc1ccc(CN2CCSCC2)cc1 65563055 GXHIERKEPGOMAH-UHFFFAOYSA-N 370.518 3.870 0 40 FHAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1[nH]nc(C2CC2)c1Br 65591092 VPYMITFUYSFIAN-UHFFFAOYSA-N 372.226 3.692 0 40 FHAB Cc1cccc(CN2CCCN(Cc3ccc(Cl)cc3)S2(=O)=O)c1 9224641 KRIXOVAFZYGMEZ-UHFFFAOYSA-N 364.898 3.601 0 40 FHAB CNC(=O)c1ccc(CN(C)C(=O)C(c2ccccc2)c2ccccc2)cc1 14183055 APRGHPHCCLSKAB-UHFFFAOYSA-N 372.468 3.837 0 40 FHAB Cc1nc(CN2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)oc1C 96000093 FSWSNZNJYNSNPU-MRXNPFEDSA-N 371.485 3.523 0 40 FHAB Cc1cc(N2C[C@H](C(=O)Nc3nccc4sccc34)CC2=O)ccc1F 96011147 XKWFGKVGUJKOJW-GFCCVEGCSA-N 369.421 3.735 0 40 FHAB CSCc1c(C(=O)Nc2cccc(-n3cnnn3)c2)oc2ccccc12 6880416 XWFPXIDDKFSKTN-UHFFFAOYSA-N 365.418 3.524 0 40 FHAB O=C(c1ccco1)N1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 6926622 LVUOKRPGTOQAIM-PAXLWEDBSA-N 369.417 3.517 0 40 FHAB biogenic CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 4926544 KXTOOCJAMMWJIP-KRWDZBQOSA-N 353.418 3.894 0 40 FHAB C[C@H](Nc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Br)cc1 7221176 SMQNLNJUSAPTNM-JTQLQIEISA-N 363.211 3.617 0 40 FHAB COc1ccc(-c2n[nH]c(=S)n2CC(=O)N[C@H](C)c2cccs2)cc1 9314134 ATHOXRHQXSDPQI-LLVKDONJSA-N 374.491 3.555 0 40 FHAB C[C@@H](SCc1ccccc1)C(=O)NCc1nc(-c2cccs2)no1 68018121 PRDMFLNTXWZBJB-GFCCVEGCSA-N 359.476 3.736 0 40 FHAB O=C(CSc1nnc(C2CC2)n1C1CC1)N1CC[C@H]2CCCC[C@@H]2C1 7551027 DQGKLAQKUICNNE-UKRRQHHQSA-N 360.527 3.621 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)NCc3ccccc3F)o2)cc1C 7773891 GCFGVYGVZXPSSE-UHFFFAOYSA-N 371.437 3.901 0 40 FHAB O=C(CCc1nc2ccccc2s1)OCc1cc(F)cc2c1OCOC2 16218669 OFSHBVONLGKBCZ-UHFFFAOYSA-N 373.405 3.978 0 40 FHAB CC(=O)N[C@@H](CC(=O)NCc1ccc(C(F)(F)F)cc1)c1ccccc1 16301379 MLTCAVBCDYFEFI-KRWDZBQOSA-N 364.367 3.589 0 40 FHAB Cc1cccc(C)c1NC(=O)CN(Cc1cccs1)C[C@@H]1CCCO1 7927197 FOJJHKOXAPILFI-KRWDZBQOSA-N 358.507 3.985 0 40 FHAB O=C(Nc1ccc(OC(F)F)cc1)c1cccc(CN2CCCC2=O)c1 8140898 YQWBMUGMUDWVLS-UHFFFAOYSA-N 360.360 3.663 0 40 FHAB COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(C)n2)cc1OC 17073296 BBVKGDMDXZLCGB-UHFFFAOYSA-N 354.406 3.789 0 40 FHAB C[C@H]1C=CC[C@@H]2C(=O)N(c3cccc(NC(=O)c4ccccc4)c3)C(=O)[C@H]12 17987812 IWJIFGQXFPVUSP-ZOCIIQOWSA-N 360.413 3.641 0 40 FHAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccccc1Oc1ccccc1)CS2 9721495 ZFIABTPXJQSQSU-OXJNMPFZSA-N 368.458 3.871 0 40 FHAB Cc1ccc(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)cc1 9817729 AVMOYRFOZYHBML-UHFFFAOYSA-N 357.460 3.947 0 40 FHAB COc1cccc([C@H](O)CSc2nnc3sc4ccccc4n23)c1 74009732 OMPMICOLLYQMJG-CQSZACIVSA-N 357.460 3.778 0 40 FHAB COc1cccc(NC(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)c1 75109214 PSCSWNCNHFYSQM-IBGZPJMESA-N 363.458 3.510 0 40 FHAB CCc1cc(=O)n2nc(N3CC[C@@](C)(CCc4ccccc4)C3)sc2n1 75106859 QEATVSUFBUQQDD-HXUWFJFHSA-N 368.506 3.563 0 40 FHAB CCOCc1ccc(CNC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)cc1 24745519 CCIKEAAFLDSDPT-YWZLYKJASA-N 366.461 3.748 0 40 FHAB COc1cccc(C(=O)N2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)c1O 174697564 SKGREVAPICAIJH-HNAYVOBHSA-N 355.434 3.620 0 40 FHAB Cn1c(SCc2ccccn2)nnc1-c1ccc(Br)cc1 28240769 FZGFOEGSQUJRFQ-UHFFFAOYSA-N 361.268 3.932 0 40 FHAB Cc1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCOCC2)nc1 224025421 RVZSKYZDNNBKIX-UHFFFAOYSA-N 359.470 3.564 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCCc3ccccc32)C1 30057523 ZJEUNFFEILVQDB-AEFFLSMTSA-N 358.482 3.827 0 40 FHAB COc1ccc(C)cc1N1C[C@@H](c2nc(CCC(C)(C)C)no2)CC1=O 508598868 JLWMCYLPJNSVBE-AWEZNQCLSA-N 357.454 3.886 0 40 FHAB COc1ccccc1NC(=O)N1CCN(C/C=C/c2ccccc2)CC1 34929511 LUZWMJYYNMBNIP-JXMROGBWSA-N 351.450 3.558 0 40 FHAB O=C(NCCc1ccc(Cl)cc1)C1CN(c2nc3ccccc3s2)C1 62023106 GSUOOTJARURFMU-UHFFFAOYSA-N 371.893 3.745 0 40 FHAB CN(Cc1cccs1)C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 37176255 VANWMSLHFHWMJJ-UHFFFAOYSA-N 366.368 3.620 0 40 FHAB Cc1cc(N2CCOCC2)ncc1[C@@H]1CCCCN1Cc1ccccc1 72219426 PWFHRXNKDUNQHX-NRFANRHFSA-N 351.494 3.954 0 40 FHAB CNC(=O)c1cccc(NC(=O)c2ccc(Oc3cccc(F)c3)o2)c1 72265295 QKJQUBOLMJBSQC-UHFFFAOYSA-N 354.337 3.823 0 40 FHAB CCOc1ccc(CCC(=O)NCCN(C)c2ccccc2)cc1OCC 219278498 SLRPNLUWWZXTQK-UHFFFAOYSA-N 370.493 3.669 0 40 FHAB Cc1cc(S(=O)(=O)NCCOc2ccccc2C(C)C)ccc1F 78644039 HXWRWXRENBYPMX-UHFFFAOYSA-N 351.443 3.615 0 40 FHAB Cc1cc(OCC(=O)Nc2ccccc2Cl)nc(N2CCC(C)CC2)n1 44169185 LTVZQCVYIVWSJL-UHFFFAOYSA-N 374.872 3.692 0 40 FHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 224314999 PNUMMAYDROMQCK-LIRRHRJNSA-N 373.449 3.747 0 40 FHAB Cc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 42645547 IUFPOOSYYRMJLQ-OUKQBFOZSA-N 371.440 3.972 0 40 FHAB COc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1Cl 222986060 NVBAJVRDCABLML-UHFFFAOYSA-N 357.797 3.671 0 40 FHAB CC(C)NC(=S)Nc1nc(Oc2ccccc2)cc(C(F)(F)F)n1 225890191 GXDIJMAXBVLATO-UHFFFAOYSA-N 356.373 3.983 0 40 FHAB CCO[C@@](C)(C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1)C1CC1 225723386 FOPZTXGGECWUEX-JOCHJYFZSA-N 374.525 3.941 0 40 FHAB Fc1ccc(CN2CCC3(CC2)C[C@H](OCc2cccnc2)CO3)cc1 96047879 VDSIUEWTRBAYFJ-FQEVSTJZSA-N 356.441 3.561 0 40 FHAB Cc1cccc(CO[C@H]2CSC3(C2)CN(C(=O)c2cc(C)oc2C)C3)n1 247994394 CCWVGKIGZBABRW-QGZVFWFLSA-N 372.490 3.517 0 40 FHAB CCOc1ccccc1CCC(=O)NCc1ccc(-c2ccco2)nc1 253473196 SOBVPDHXFQBXTC-UHFFFAOYSA-N 350.418 3.989 0 40 FHAB Clc1ccc(CN2CCCC[C@H]2c2nnc(-c3cnccn3)o2)cc1 257229832 FZQLARPNYFMWPY-INIZCTEOSA-N 355.829 3.907 0 40 FHAB CC(C)n1nccc1-c1cccc(C[C@@H]2CCN(C(=O)C(C)(C)C)C2)n1 257251047 JPELDFRDLNNBGY-INIZCTEOSA-N 354.498 3.963 0 40 FHAB CC[C@H](O)Cn1nc(-c2ccc(C(=O)O)cc2)cc1-c1ccc(F)cc1 257223063 DVTMNJOYVCSWCD-KRWDZBQOSA-N 354.381 3.825 0 40 FHAB CN1CC[C@H](c2n[nH]cc2-c2ccnc(NCc3ccccc3F)c2)C1 257332200 XWFNGWSJYHYJLB-INIZCTEOSA-N 351.429 3.642 0 40 FHAB COc1cc(C)c([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1OC 260755892 CBYGHSMHRGHXNH-UPRAQXHNSA-N 369.490 3.997 0 40 FHAB O=C(N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1onc2c1CCCC2 616471274 UEMHBIVXMHSPGT-KBPBESRZSA-N 364.449 3.886 0 40 FHAB O=C(Nc1cccc(-c2cnc3n2CCC3)c1)c1cc(-c2ccco2)on1 90607214 VVTNKYJZPKQGJQ-UHFFFAOYSA-N 360.373 3.997 0 40 FHAB c1ccc(COc2ccc(NCc3ccccc3-n3cncn3)cn2)cc1 679118936 AHRYGHUONJPYOS-UHFFFAOYSA-N 357.417 3.853 0 40 FHAB C[C@H](CN1CCCC1=O)NC(=O)N1CCC[C@H]1c1cccc2ccccc12 56740927 BCGQNDWQGURKQO-UZLBHIALSA-N 365.477 3.697 0 40 FHAB COCc1ccc(CNC(=O)N(C)Cc2ccc(SC)c(OC)c2)cc1 58291021 ZJYIWUMDIQFCOU-UHFFFAOYSA-N 374.506 3.905 0 40 FHAB O=C(Cn1cnc2c1CCCC2)N1CCC[C@H]1Cc1ccccc1Cl 95465194 INIPIJVODVNALW-INIZCTEOSA-N 357.885 3.649 0 40 FHAB CCn1c(S[C@H](C)C(=O)NC2CCCC2)nnc1-c1ccccc1OC 5131272 HTUBMXHESHLMQU-CYBMUJFWSA-N 374.510 3.513 0 40 FHAB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1c(F)cccc1F 11139586 KOVWPEQVXDGBCN-UHFFFAOYSA-N 350.752 3.997 0 40 FHAB COc1cccc(Cn2nc(-c3ccco3)c(-c3cc(C)no3)cc2=O)c1 13226236 VXEFKJNTVPUPEJ-UHFFFAOYSA-N 363.373 3.524 0 40 FHAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccnc4)cc3n2)cc1 14258096 WFGXZNOBZIFPJE-UHFFFAOYSA-N 357.417 3.939 0 40 FHAB O=C(N[C@H]1CCSc2ccccc21)c1ccc(OCC(F)(F)F)nc1 14306279 HMKFGPBVPHVGAN-ZDUSSCGKSA-N 368.380 3.990 0 40 FHAB O=C(OCc1cc(=O)n2c(-c3ccccc3)csc2n1)c1ccccc1 15734231 ZULBZMMYNHSHSU-UHFFFAOYSA-N 362.410 3.780 0 40 FHAB CC(C)[C@H](NC(=O)CCc1ccncc1)c1ccc2c(c1)OCCCO2 19445813 IQPARKLJGSEIQT-NRFANRHFSA-N 354.450 3.689 0 40 FHAB COCC(=O)N1CCC(c2cc(Cc3ccccc3Cl)cc(C)n2)CC1 19691627 LAHFCWXJRHRARC-UHFFFAOYSA-N 372.896 3.987 0 40 FHAB COc1cc(C2=N/C(=C\C=C/c3ccccc3)C(=O)O2)cc(OC)c1OC 5328255 OSPIILCSAFSNCB-PGWBGFSZSA-N 365.385 3.613 0 40 FHAB COc1ccccc1NC(=O)[C@H](C)Sc1nnc(C(C)C)n1C1CC1 9954640 OULKSEWYVHYZLY-LBPRGKRZSA-N 360.483 3.864 0 40 FHAB CC(C)(C)NC(=O)CNC(=O)c1ccccc1SCc1ccsc1 9918298 ULJVUXLRHQPXOZ-UHFFFAOYSA-N 362.520 3.685 0 40 FHAB O=C(O)c1c[nH]c(=NCc2ccc(Cl)cc2)nc1CCc1ccccc1 2037895080 PRIKTBKBXFUJAN-UHFFFAOYSA-N 367.836 3.647 0 40 FHAB COc1ccc(-n2nnc3c(SCc4cccc(C)c4)ncnc32)cc1 4166776 PXIXZTMCMBMCJD-UHFFFAOYSA-N 363.446 3.820 0 40 FHAB COc1ccccc1C(=O)NCCSc1ncc(-c2ccc(C)cc2)[nH]1 4315414 OIRSZUIUWOPPIL-UHFFFAOYSA-N 367.474 3.916 0 40 FHAB Cc1ccccc1-c1nnc(NC(=O)/C=C\c2ccc3c(c2)OCO3)s1 17136139 BEJLHKOPHORGDS-CLFYSBASSA-N 365.414 3.894 0 40 FHAB Cc1noc2nc(-c3ccco3)cc(C(=O)NCCN(C(C)C)C(C)C)c12 40039874 DMKAXVBAKUUNAA-UHFFFAOYSA-N 370.453 3.640 0 40 FHAB COc1ccc(CCNc2nn3cc(C(C)(C)C)nc3s2)cc1OC 40039754 GGNZCMMSJCOKNQ-UHFFFAOYSA-N 360.483 3.760 0 40 FHAB CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3ncc4ccccn34)ccc21 31634329 AONLOZMTESHORK-ZDUSSCGKSA-N 365.458 3.607 0 40 FHAB CCOC(=O)c1c(CSc2nc(C)cc(N)n2)nc2ccccc2c1C 31746062 CTRIQBSDLIDIQW-UHFFFAOYSA-N 368.462 3.693 0 40 FHAB Cc1cccc(N2CCN(C(=O)c3cc(-c4cccs4)[nH]n3)CC2)c1C 51315817 DNSKGYOGTBLOIW-UHFFFAOYSA-N 366.490 3.717 0 40 FHAB O=c1c2cc(Cl)cc(Cl)c2ncn1CCOc1cccc(F)c1 32315923 NEVXOOUWDJNZPW-UHFFFAOYSA-N 353.180 3.921 0 40 FHAB Cc1c(-c2ccccc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1ccccc1F 32102383 RFFASGGAIXYRGR-MRXNPFEDSA-N 364.380 3.520 0 40 FHAB Cc1cccc(OCC(=O)N2CCCC[C@@H]2CCN2CCCCC2)c1C 21170556 GCJGRIODXYCGKC-HXUWFJFHSA-N 358.526 3.939 0 40 FHAB C[C@@H](NC(=O)COc1ccccc1)c1ccc(OCc2cccnc2)cc1 32676944 XPZHBUJOULCMDR-QGZVFWFLSA-N 362.429 3.917 0 40 FHAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H]1CCc2ccccc21 32843547 WDICBOUMHQNVCT-RTBURBONSA-N 351.450 3.636 0 40 FHAB O=C(Nc1nnc(C2CC2)s1)c1ccc(COc2ccc(F)cc2)o1 32969094 WPXYBSIFLYDKFO-UHFFFAOYSA-N 359.382 3.979 0 40 FHAB O=C([C@@H]1COc2ccccc2O1)N1CCC[C@@H]1c1nc2ccccc2s1 32960768 IRFHVSAFAOHSOA-PBHICJAKSA-N 366.442 3.800 0 40 FHAB O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 870318 PWKYJIDHPYEOMS-UHFFFAOYSA-N 374.447 3.588 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(C)cc23)cc1 878078 SKQNYQYVIQVHMT-UHFFFAOYSA-N 363.446 3.854 0 40 FHAB CSc1nnc2c3c4c(sc3nc(SC)n12)CO[C@@H](C(C)C)C4 1252125 HBUGZRQKZWNRTD-SECBINFHSA-N 366.537 3.880 0 40 FHAB O=C(O)c1ccc(C(=O)c2ccc(C(=O)c3ccc(C(=O)O)cc3)cc2)cc1 1640789 NQTSEFRXDSPIJI-UHFFFAOYSA-N 374.348 3.545 0 40 FHAB Cc1nc2sc3c(c2c2nc(-c4ccc(O)cc4)nn12)CC(C)(C)OC3 2341485 FZCDHIXNNXUHCZ-UHFFFAOYSA-N 366.446 3.871 0 40 FHAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1N 2352053 JAABSDNHBTYHDH-UHFFFAOYSA-N 367.478 3.513 0 40 FHAB O=C(COC(=O)/C=C/c1ccc(Cl)cc1)NCc1ccc(Cl)cc1 2657433 XEYNFRZIHSDJIT-BJMVGYQFSA-N 364.228 3.866 0 40 FHAB Cc1ccc(N2C(=O)S[C@H](Nc3ccc(C(=O)O)cc3)C2=O)cc1C 2709846 VQWJATGQWFIUOU-HNNXBMFYSA-N 356.403 3.640 0 40 FHAB Cc1cc(N2C(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=S)ccc1Cl 2807513 PBHLIYMUWBBELZ-KRWDZBQOSA-N 369.877 3.962 0 40 FHAB biogenic CCc1ccc(N2C[C@@](O)(c3ccc(OC)cc3)[N+]3=C2CCCC3)cc1 2966303 OVOVIRIYKBNDMA-JOCHJYFZSA-N 351.470 3.518 0 40 FHAB COc1cc(NC(=O)COC(=O)c2oc3ccccc3c2C)cc(OC)c1 3537327 PWHTUBJUWQZACH-UHFFFAOYSA-N 369.373 3.554 0 40 FHAB CCCNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 4060851 AIVZOTITOJYIDM-UHFFFAOYSA-N 359.266 3.709 0 40 FHAB COc1ccccc1C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 4305061 OCRLSGANSUNJAV-LJQANCHMSA-N 362.429 3.822 0 40 FHAB O=c1/c(=C/c2cccc3ccccc23)sc2nc(-c3ccccc3)nn12 4351648 QRZGFWBRCMZGFU-AQTBWJFISA-N 355.422 3.519 0 40 FHAB Cc1cccc(NC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c1 4400845 UCCAOTTUKXFNMK-UHFFFAOYSA-N 351.450 3.730 0 40 FHAB COc1ccc(/C=C/c2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1 4657196 DEERLYRHFRBBDL-JXMROGBWSA-N 368.389 3.941 0 40 FHAB C[C@@H](OC(=O)c1cccc2ccccc12)C(=O)NC(=O)NC1CCCCC1 4836655 TYCACOZYJWUIFP-CQSZACIVSA-N 368.433 3.544 0 40 FHAB Cc1ccc(C(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cc1 5259333 PDHXMVZUBXXMNF-UHFFFAOYSA-N 374.444 3.541 0 40 FHAB CCOC(=O)c1csc(-n2nc3c(c2C(F)(F)F)CCCCC3)n1 5274824 AMIWMNYNLWJMDJ-UHFFFAOYSA-N 359.373 3.793 0 40 FHAB O=C(NCc1n[nH]c(=O)c2ccccc12)Nc1ccc(Cl)c(Cl)c1 5313521 CBHNBOUADKASKX-UHFFFAOYSA-N 363.204 3.552 0 40 FHAB Cc1ccc(C2=NO[C@@]3(CC(=O)N(c4ccc5ccccc5c4)C3=O)C2)cc1 5398525 PMSSUHDBKCBETP-HSZRJFAPSA-N 370.408 3.975 0 40 FHAB C[C@H]1CCCC[C@@H]1N1C(=O)C(=O)N(Cc2c(Cl)cccc2Cl)C1=O 5788062 GSMDBLYNIBVAOO-HZMBPMFUSA-N 369.248 3.863 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)COC(=O)[C@@H](CC)c1ccccc1 5838801 WYFIVFYZOQXBFJ-INIZCTEOSA-N 369.417 3.539 0 40 FHAB CC(C)(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 6214365 NAAXOXIBSPVOPA-QGZVFWFLSA-N 350.462 3.971 0 40 FHAB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1ccccc1F 6495743 UUAVHDWONWVXEX-UHFFFAOYSA-N 362.817 3.995 0 40 FHAB O=C(N[C@@H]1C=Nc2ccccc2NC1=O)C(c1ccccc1)c1ccccc1 6574841 LHYQKIKOSPTFDN-HXUWFJFHSA-N 369.424 3.658 0 40 FHAB CCOc1ccc([C@@H](C)NC(=O)[C@H]2COc3ccccc3O2)cc1OCC 6881189 PESCWVQMGRPQRO-JLTOFOAXSA-N 371.433 3.501 0 40 FHAB Cc1cc(C)cc(N2C[C@H](C(=O)Oc3cccc4cccnc34)CC2=O)c1 7929143 YSICAMORFYCFGN-QGZVFWFLSA-N 360.413 3.810 0 40 FHAB Cc1ccc(Br)cc1S(=O)(=O)N(C)Cc1ccsc1 8059590 MLTCTEXJFFWRHP-UHFFFAOYSA-N 360.298 3.640 0 40 FHAB CCOc1cc(Cl)c(S(=O)(=O)Nc2cccc(O)c2)cc1Cl 8132573 YVHXGWOUUXTKAM-UHFFFAOYSA-N 362.234 3.899 0 40 FHAB Cc1ccc(Cn2ncc3c(C(=O)O)cc(-c4ccc(F)cc4)nc32)o1 8391775 VNNQYGJTMMFVIC-UHFFFAOYSA-N 351.337 3.885 0 40 FHAB Cc1cccc(-c2nnc(SCc3cc(=O)[nH]c4ccccc34)n2C)c1 8716770 FZIZLFOPEQARFY-UHFFFAOYSA-N 362.458 3.924 0 40 FHAB Cc1cc(/C=C/C(=O)N(C)C[C@H]2COc3ccccc3O2)c(C)n1C1CC1 8940128 SMKBDUBFAUZPNC-BLRBJFNZSA-N 366.461 3.751 0 40 FHAB CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 9064297 QVQVVPIWJWEJMB-UHFFFAOYSA-N 359.426 3.547 0 40 FHAB O=C(/C=C/c1cnc2ccccc2n1)N1CCC[C@H]1c1nc2ccccc2[nH]1 9318079 INPGYFOIHXUVEX-SGWGQVFISA-N 369.428 3.883 0 40 FHAB CC(=O)Oc1cccc2cc(-c3nc(-c4ccc(F)cc4)no3)c(=O)oc12 9431178 AXRPYYFGLVEIMI-UHFFFAOYSA-N 366.304 3.574 0 40 FHAB Cc1ccc(NC(=O)Nc2nc(CC(=O)N3CCC[C@H](C)C3)cs2)cc1 9784751 VLPDGWOPZAOMBQ-AWEZNQCLSA-N 372.494 3.897 0 40 FHAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C)c3[nH]c(=O)cc(C)c3c2)c1 10274245 ALIIRXDPUOXMDN-UHFFFAOYSA-N 356.447 3.563 0 40 FHAB COc1ccc(OCCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 10291564 QVMGKOIWPXNAHP-UHFFFAOYSA-N 354.233 3.740 0 40 FHAB O=C(Cn1c(-c2ccc(Cl)cc2)n[nH]c1=S)NOCc1ccccc1 10319182 DSQDCKCUXUVXIF-UHFFFAOYSA-N 374.853 3.509 0 40 FHAB O=C(NCC(=O)N1CCC(CCc2ccccc2)CC1)C1CCCCC1 11453949 JKHMATKUMSGTOP-UHFFFAOYSA-N 356.510 3.554 0 40 FHAB c1csc(-c2cnc(N3CCN4CCC[C@@H]4C3)nc2-c2nccs2)c1 12251474 FMAPMGBAPLAYEK-CYBMUJFWSA-N 369.519 3.613 0 40 FHAB Cc1nccc(-c2ccc(-c3noc(CN4C[C@H](C)C[C@@H](C)C4)n3)cc2)n1 12337095 JZXQZQOVXPWKTO-HUUCEWRRSA-N 363.465 3.980 0 40 FHAB CCCCN(C)C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 12507840 GPCYMDBAVSHWCW-UHFFFAOYSA-N 374.506 3.976 0 40 FHAB CS(=O)(=O)NCCc1ccc(-c2csc(-c3ccccc3)n2)s1 12794607 QKIWVROYHSUDMD-UHFFFAOYSA-N 364.517 3.630 0 40 FHAB O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 12823848 QODCOHQPOQTOHR-UHFFFAOYSA-N 362.404 3.577 0 40 FHAB COC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)cc1 12924806 YNXDZWHJPXPIRA-UHFFFAOYSA-N 372.808 3.506 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1N1CCCC1=O 13000475 AAXXXKORMNMPKA-CYBMUJFWSA-N 358.825 3.873 0 40 FHAB Cc1[nH]c2ccc(C(=O)NC[C@H](c3cccc(F)c3)N(C)C)cc2c1C 13007719 VAWQHIUJWIOBSU-HXUWFJFHSA-N 353.441 3.957 0 40 FHAB CC[C@@H](C)c1ccc(NC(=O)CCC(=O)Nc2sccc2C(N)=O)cc1 14167836 OLFFNBCDXVWJLK-GFCCVEGCSA-N 373.478 3.718 0 40 FHAB Cc1ccccc1OCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 14228418 HYEZIGDGDPOTOK-LBPRGKRZSA-N 372.490 3.688 0 40 FHAB Cc1cc(C(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)c(C)n1Cc1ccco1 16685150 GQZQMRMPWPNCLR-HUUCEWRRSA-N 372.465 3.693 0 40 FHAB CN(CCOc1ccc(F)cc1)C(=O)c1cc(-c2ccc(F)cc2)no1 19659484 AUUMUWOKXUBOIB-UHFFFAOYSA-N 358.344 3.771 0 40 FHAB O=c1[nH]c(=S)n(-c2cccc(Cl)c2)c2c1CN(C1CCCC1)CN2 19939131 PWEJPCKNKOQACK-UHFFFAOYSA-N 362.886 3.676 0 40 FHAB CCN(CC)C(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 20456890 NGRHWCFEVKZJEO-UHFFFAOYSA-N 366.870 3.623 0 40 FHAB CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccccc1 20744359 KKXHFVGGUBIIAJ-RXVVDRJESA-N 350.462 3.970 0 40 FHAB Clc1ccc(COc2ccc(CNc3nnn[nH]3)cc2)c(Cl)c1 22111593 IXIINLPOCRUWKO-UHFFFAOYSA-N 350.209 3.698 0 40 FHAB O=C(NC[C@H](c1ccsc1)N1CCOCC1)c1ccc2ccccc2c1 22765919 UNCVTNSUTSECTG-HXUWFJFHSA-N 366.486 3.705 0 40 FHAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)C1(C)C 22839531 UXHFNHUFXPLGCV-QAPCUYQASA-N 355.482 3.563 0 40 FHAB Cc1cc(C)n(CCCNC(=O)c2cc3cc(Cl)ccc3nc2C)n1 23246825 KKXJKIJNMBMCEA-UHFFFAOYSA-N 356.857 3.830 0 40 FHAB CCCCNS(=O)(=O)c1cccc(NC(=O)c2cc(C)c(C)s2)c1 23308207 LJMLXJXREWRLJF-UHFFFAOYSA-N 366.508 3.696 0 40 FHAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc2c(c1)OCCO2 24950191 QSCPERIUBYLWNP-UHFFFAOYSA-N 350.374 3.684 0 40 FHAB Cc1noc(C)c1CN1CCN([C@@H](C)c2nc3ccccc3s2)CC1 26887663 KCQTYMACTOZKCK-AWEZNQCLSA-N 356.495 3.780 0 40 FHAB C[C@H]1CN(CCC(=O)Nc2ccccc2Oc2ccccc2)C[C@@H](C)O1 28842727 UWAQHWLRNFRIIM-CALCHBBNSA-N 354.450 3.917 0 40 FHAB CCN1CCN(CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CC1 28901898 OVCKNMLBEYBENO-UHFFFAOYSA-N 373.884 3.708 0 40 FHAB C[C@H](CC(=O)N(C)[C@H]1CCCc2ccccc21)NC(=O)c1ccccc1 29258027 OPTJUZHNZKJKML-UZLBHIALSA-N 350.462 3.731 0 40 FHAB Cc1csc(CNC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)n1 29886088 JCHQITFDEDDFSR-UHFFFAOYSA-N 355.463 3.972 0 40 FHAB CSc1ccc(NC(=O)C[C@H](NC(N)=O)c2ccccc2Cl)cc1 30562232 NMTFNWMCGLUOCU-HNNXBMFYSA-N 363.870 3.800 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1noc(-c2ccc(F)cc2)n1 32624315 OLHITPHGGCEKEL-CQSZACIVSA-N 359.332 3.811 0 40 FHAB O=C(C[S@@](=O)Cc1c(F)cccc1Cl)N1CCCc2ccccc21 32765074 YVSOQFQQSVRCTJ-XMMPIXPASA-N 365.857 3.707 0 40 FHAB Cc1cc(CN(C)Cn2nc(-c3cccs3)c3ccccc3c2=O)no1 32926877 LVTYYZCQDORUOZ-UHFFFAOYSA-N 366.446 3.511 0 40 FHAB CN1c2ccc(C(=O)Nc3ccccc3)cc2-c2ccccc2S1(=O)=O 33088633 LZEXZXVIWABDPC-UHFFFAOYSA-N 364.426 3.744 0 40 FHAB Cc1cccc(N[C@H]2CC(=O)N(c3ccccc3Br)C2=O)c1C 36635813 AEWGNXRKNRXBFG-HNNXBMFYSA-N 373.250 3.810 0 40 FHAB CCOc1c(Br)cc(Cl)cc1NC(=O)NCc1cc[nH]n1 40120221 FSWHTYYVWSFAON-UHFFFAOYSA-N 373.638 3.546 0 40 FHAB O=C(NC[C@@H](O)c1ccccc1)c1cc2occc2n1Cc1ccccc1 40267172 GLWZAMLACWPPFA-HXUWFJFHSA-N 360.413 3.746 0 40 FHAB COCCOCc1cccc(NC(=O)N2CCC[C@@H]2c2ccncc2)c1 47591249 FMZNYNGANPHVAC-LJQANCHMSA-N 355.438 3.614 0 40 FHAB CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(Cn2ccnc2)c1 48276857 SNAXIVQNNHUFGP-UHFFFAOYSA-N 374.488 3.804 0 40 FHAB CC(C)c1nn(C)cc1[C@@H]1NC(=O)CN1Cc1ccc(-c2ccccc2)cc1 48374232 PSXPVDNTBNYZKO-HSZRJFAPSA-N 374.488 3.841 0 40 FHAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(OC)cc3OC)n[nH]2)cc1 51315417 OMMUBVFMNVMWRZ-UHFFFAOYSA-N 367.405 3.745 0 40 FHAB CCOC(=O)c1c(C)nc2n(CCOc3ccccc3)c3ccccc3n12 51325936 DNLGNNWTYMYYMD-UHFFFAOYSA-N 363.417 3.853 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)CN[C@@H](C)c1ccccc1OC 58160678 LWPNHGGRDLHUHE-ZDUSSCGKSA-N 362.857 3.955 0 40 FHAB CCOC1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 58192598 NFOJLABRSICFKG-HOTGVXAUSA-N 352.272 3.580 0 40 FHAB Cc1nc2ccc(C(=O)NCCCN(C)c3ccccc3F)cc2nc1C 58391518 BTLYAMDDSDIXRU-UHFFFAOYSA-N 366.440 3.642 0 40 FHAB Cc1nc(-c2ncccn2)sc1C(=O)N1CCCCc2ccccc21 71817372 NZMMNMNMFHVMCV-UHFFFAOYSA-N 350.447 3.892 0 40 FHAB CCCOc1ccc(CNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1 72328212 UTZUXVPBRQBFAX-UHFFFAOYSA-N 353.397 3.935 0 40 FHAB Cc1cccc(Cl)c1NC(=O)COC(=O)c1nccc2ccccc12 72330304 HUQIXMLXPPTQEU-UHFFFAOYSA-N 354.793 3.992 0 40 FHAB c1cc(COC[C@@H]2CC3(CCN(Cc4ccsc4)CC3)CO2)ccn1 96218282 KQWKCBWVJDVIAB-IBGZPJMESA-N 358.507 3.731 0 40 FHAB CCCSc1nnc2[nH]c3c(c(=O)n12)[C@@](C)(CC)Cc1ccccc1-3 100999723 ZCNWZIOAMFYZHJ-IBGZPJMESA-N 354.479 3.811 0 40 FHAB Cc1ccc(N2C(=O)C[C@H](Nc3ccc(OC(F)(F)F)cc3)C2=O)cc1 102988197 VZDOAWYBLYKBFR-HNNXBMFYSA-N 364.323 3.638 0 40 FHAB Cc1cnn([C@@H]2CCCN(C(=O)NCCc3csc4ccccc34)C2)c1 171902678 ZTOQFJZYQNUHQZ-QGZVFWFLSA-N 368.506 3.995 0 40 FHAB Cc1cc(C)c(C)c(OCC(=O)Nc2nnc(SC(C)C)s2)c1 222789211 OAXOCJMKLNEFNF-UHFFFAOYSA-N 351.497 3.981 0 40 FHAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1C 223437195 RBFMNTRNCYTKFX-INIZCTEOSA-N 374.506 3.783 0 40 FHAB COc1cc(C)c(S(=O)(=O)NCc2ccc(F)cc2)cc1C(C)C 224131136 NRUGCLZGNHUVIC-UHFFFAOYSA-N 351.443 3.745 0 40 FHAB CN(CCNC(=O)CSCc1ccc(Cl)cc1F)c1ccccc1 225052794 OIHNRMLGTZPHPZ-UHFFFAOYSA-N 366.889 3.965 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(O[C@H]2CCOC2)nc1 225708478 IKCDTWQPFBCHIA-AWEZNQCLSA-N 352.312 3.520 0 40 FHAB CCCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1C(=O)OCC 225783611 RSGWEUUVKDWULK-UHFFFAOYSA-N 368.644 3.961 0 40 FHAB C[C@@H]1CCCN(c2cc(Cl)nc(NC(=S)NC3CCCC3)n2)C1 226007229 DCUYGEKRDHXOGU-LLVKDONJSA-N 353.923 3.595 0 40 FHAB Cc1cccc(O[C@@H]2CCN(C(=O)NCc3cccc4ccccc34)C2)n1 238844299 IBFCKCBHQUOMQH-LJQANCHMSA-N 361.445 3.906 0 40 FHAB Cc1cc(C)c(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c(C)c1 242626195 CNWBFEFUFZXOCK-UHFFFAOYSA-N 374.506 3.633 0 40 FHAB CCc1ccc(C=c2sc3nc(-c4cccc(Cl)c4)nn3c2=O)cc1 254573691 UXVYXAOYLNWCNQ-UHFFFAOYSA-N 367.861 3.582 0 40 FHAB O=C(NCC[C@H](CCO)c1ccsc1)c1cccc(Br)c1 575605642 BWSZACGOHMQPDM-GFCCVEGCSA-N 368.296 3.797 0 40 FHAB O=C(C1CC(O)C1)N1CCC2(CCc3cc(-c4ccoc4)ccc32)CC1 585105659 ZMVBJCZEHSEAJY-UHFFFAOYSA-N 351.446 3.524 0 40 FHAB CC(C)c1nc([C@H]2CCCCCN2C(=O)c2cc3c(s2)CCNC3)no1 662540496 JGGFYYWFGHUFDS-CQSZACIVSA-N 374.510 3.658 0 40 FHAB COc1cccc(C2(C(=O)N3CCOc4cc(O)ccc4C3)CCCC2)c1 672243371 GCLNAMGFIFPZSG-UHFFFAOYSA-N 367.445 3.634 0 40 FHAB O=C(N[C@@H]1CCc2c(F)cccc21)N(CCO)[C@@H]1CCCc2ccccc21 674148605 JSGUCPOZIYKSQD-NHCUHLMSSA-N 368.452 3.895 0 40 FHAB O=C(NCc1ccccn1)c1cccc(NCc2cccc3cn[nH]c23)c1 1620848458 FXRVSKNBPJYVFL-UHFFFAOYSA-N 357.417 3.500 0 40 FHAB Cn1nc(-c2cccs2)cc1CNC(=O)CSc1ccc(F)cc1 1775966507 IMYFYNCMYPVVLR-UHFFFAOYSA-N 361.467 3.696 0 40 FHAB CCCc1cc(C(=O)OCC)c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)s1 2767479 FKWCOLVJWHZVLL-QWHCGFSZSA-N 367.467 3.707 0 40 FHAB C[C@H]1CN(C(=O)/C=C/c2ccccc2)[C@@H](C)CN1C(=O)/C=C/c1ccccc1 670937 STPCOHFWYMIWLU-SZJNQVCBSA-N 374.484 3.861 0 40 FHAB CCCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC 3498930 IXWCDPNXDKHMHV-UHFFFAOYSA-N 352.891 3.627 0 40 FHAB C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)NC(N)=O 4516601 YHZFVAULGDUBDS-LBPRGKRZSA-N 367.430 3.684 0 40 FHAB CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)CN1CCN(C2CCCCC2)CC1 22923129 ZITJEYGHRXEHNH-VQTJNVASSA-N 363.590 3.658 0 40 FHAB CCn1c(CNC(=O)Cc2ccc3c(c2)OCCO3)cc2cc(C)ccc21 4973493 JFCASIBCSDKCJB-UHFFFAOYSA-N 364.445 3.600 0 40 FHAB O=c1[nH]c(/C=C/c2ccccc2Cl)nc2nn(Cc3ccccc3)cc12 6864302 OINKHSWJANVSHX-ZHACJKMWSA-N 362.820 3.992 0 40 FHAB Cc1cccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)c1C 955254 CUQZAPWDDSUAPP-UHFFFAOYSA-N 354.837 3.777 0 40 FHAB Cc1cccc(C)c1NC(=O)CCC(=O)[C@H](C)C(=O)c1ccc(O)cc1 104274093 GTUGVUAEHPHZJB-HNNXBMFYSA-N 353.418 3.816 0 40 FHAB Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc4c(c3)CCC4)n2)cc1C 57427565 NNRBMIXGVWWANS-UHFFFAOYSA-N 373.456 3.655 0 40 FHAB Cc1ccc2oc(-c3ccccc3)c/c(=N\[C@@H](CCC(=O)O)C(=O)O)c2c1 1916611 KKULUXXWNPSKNG-MXVUGKIDSA-N 365.385 3.627 0 40 FHAB CCOc1ccc(-c2cc(C(=O)NCCc3c[nH]c4ccccc34)n[nH]2)cc1 51315876 WSDLEDGSZMJBGV-UHFFFAOYSA-N 374.444 3.929 0 40 FHAB C[C@H](NC(=O)CCC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 27697109 JJJNJTUTEKCZFO-LBPRGKRZSA-N 359.809 3.909 0 40 FHAB O=C(CC1CCCC1)OCc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 58245508 GPOWLHYWDAUTDC-UHFFFAOYSA-N 354.328 3.565 0 40 FHAB CC[C@@H](NC(=O)Cc1cc(OC)c(OC)c(OC)c1)c1ccc(C)cc1 12787242 PJHZUUMKQXPELQ-QGZVFWFLSA-N 357.450 3.831 0 40 FHAB Cc1ccc(-c2cc(C(=O)NO[C@H]3CCCCO3)c3ccccc3n2)o1 58432396 QAIOGXDSEVYDQU-IBGZPJMESA-N 352.390 3.991 0 40 FHAB CC(C)c1ccccc1NS(=O)(=O)c1cnn(Cc2ccccc2)c1 58440823 NEUAXHQFBPNBRW-UHFFFAOYSA-N 355.463 3.856 0 40 FHAB COc1cc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)ccc1C 27405031 ALCNYLNRQANIRQ-UHFFFAOYSA-N 366.339 3.548 0 40 FHAB CCn1nc(-c2nn3c(-c4cc(Cl)ccc4F)nnc3s2)cc1C 36366824 GTCOHMFPXLWWOV-UHFFFAOYSA-N 362.821 3.837 0 40 FHAB CN(Cc1ccccc1N1CCOCC1)C(=O)Cc1cccc2ccccc12 10900598 PAWYUZXEZAMUIX-UHFFFAOYSA-N 374.484 3.878 0 40 FHAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(-c2nnn[nH]2)cc1 12756882 KBSSQJHBZDBQOP-HXUWFJFHSA-N 369.428 3.581 0 40 FHAB Cc1nc(-c2ccco2)nc2sc(C(=O)N3C[C@H](C)OC[C@H]3C)c(C)c12 45449635 VXEYMQTYGLEXRL-MNOVXSKESA-N 371.462 3.818 0 40 FHAB COc1ccccc1CC(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 45678120 KAPJVYNENWBKQZ-CQSZACIVSA-N 359.495 3.565 0 40 FHAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc(-c2ccccc2)on1 11905196 YHBPFSLYJPTCCC-FQEVSTJZSA-N 361.445 3.909 0 40 FHAB O=C(Nc1nc2ccccc2[nH]1)c1csc(COc2ccc(F)cc2)n1 12825310 KVVMDHJFNFUETI-UHFFFAOYSA-N 368.393 3.990 0 40 FHAB COc1ccc(C)cc1C(=O)CCC(=O)NCCc1ccc(Cl)cc1 3491251 RXPZYQUWQQHLHW-UHFFFAOYSA-N 359.853 3.979 0 40 FHAB O=C(Nc1ccc(F)cc1Cl)C1CCN(C(=O)c2ccco2)CC1 8937761 CYKKWHGBMMZYGL-UHFFFAOYSA-N 350.777 3.563 0 40 FHAB Cc1nnc(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)n1-c1ccccc1 13141470 MFYMSZVPBLGZLF-JJRVBVJISA-N 358.511 3.609 0 40 FHAB CCC[C@H](C)c1c(O)nc(Nc2nc(C)c3cc(C)ccc3n2)[nH]c1=O 3984849 KFESFABTPCUDDB-NSHDSACASA-N 353.426 3.683 0 40 FHAB biogenic CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@@H]2c1ccc(SC)cc1 71282657 AMAKYKKPTRZQIX-CQSZACIVSA-N 359.451 3.600 0 40 FHAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)cc1 5210688 CGOZEYUTPBATIM-UHFFFAOYSA-N 367.430 3.978 0 40 FHAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@@H]3CCCO3)cc12 6583229 SVBNIKCJEBTKMF-HNNXBMFYSA-N 373.453 3.502 0 40 FHAB C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1cccc(-c2ncn(C)n2)c1 96008899 NWGXMLXQHNTDHN-ZDUSSCGKSA-N 370.453 3.988 0 40 FHAB COc1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2F)n[nH]1 4878752 VIXNHRFIIMUHIB-LLVKDONJSA-N 372.425 3.739 0 40 FHAB O=c1cc(COc2ccc3c(c2)CCC3)nc2ccc(Br)cn12 5938582 LWMOTJDYBDQUPD-UHFFFAOYSA-N 371.234 3.525 0 40 FHAB O=C1CC2(CCCCC2)C(=O)N1Cc1nc(-c2ccc(Cl)cc2)no1 7046973 LZXCPJLFHADGRS-UHFFFAOYSA-N 359.813 3.599 0 40 FHAB Cc1ccc(OCCNS(=O)(=O)c2c(Cl)cccc2Cl)cc1 7215766 QKBZDJFEYVOOAT-UHFFFAOYSA-N 360.262 3.659 0 40 FHAB COc1ccc(-c2nc(CNC(=O)c3cccc(OC)c3)cs2)cc1 15832640 UJNWNOVPEUZLRR-UHFFFAOYSA-N 354.431 3.757 0 40 FHAB COc1ccc([C@H]2CCCN2CC(=O)N(C)Cc2ccccc2C)cc1 16339217 KSOONMPBDVQXJE-OAQYLSRUSA-N 352.478 3.799 0 40 FHAB COc1cc(C(=O)Nc2ccc(C)cc2O)cc(OC)c1Br 7960392 HERNYOKOCMZNQZ-UHFFFAOYSA-N 366.211 3.733 0 40 FHAB Cc1ccc(CN(C)C(=O)Cc2ccc(N3CCCC3=O)cc2)c(C)c1 8097567 AJAZMOCNGPMPAR-UHFFFAOYSA-N 350.462 3.631 0 40 FHAB CS(=O)(=O)c1cccc(C(=O)Nc2ccccc2SC(F)F)c1 9455172 YTHOTPPXJYNHHY-UHFFFAOYSA-N 357.403 3.657 0 40 FHAB Cc1cc(CSc2ncccc2C(=O)N2CCc3ccccc3C2)no1 8323854 PYMIZSSNENGICV-UHFFFAOYSA-N 365.458 3.869 0 40 FHAB COc1cc(C)c(CN(C)C(=O)CSc2nc(C)cs2)cc1OC 8505510 UAVDBYFOABJTDG-UHFFFAOYSA-N 366.508 3.528 0 40 FHAB CCSc1nnc2nc3c(c(O)n12)C1(CCCC1)Cc1ccccc1-3 8686239 AYSKWNKEYCQXQL-UHFFFAOYSA-N 352.463 3.977 0 40 FHAB aggregator Cc1nc(C(=O)Oc2cc(F)cc(Br)c2)c2n1CCCC2 95418655 KZQOSHOOYDBYQH-UHFFFAOYSA-N 353.191 3.649 0 40 FHAB Cc1n[nH]c(C)c1[C@@H]1CCCN1CC(=O)Nc1cccc(C(F)(F)F)c1 95446833 WMXQXXQBETZRGI-HNNXBMFYSA-N 366.387 3.821 0 40 FHAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NC1CCCCCC1 9914073 NYDMYJZLWBZVBR-UHFFFAOYSA-N 350.462 3.922 0 40 FHAB Fc1ccccc1OCc1nnc(-c2cnc3onc(C4CC4)c3c2)o1 75136592 SVRPYMKBGVBYQO-UHFFFAOYSA-N 352.325 3.868 0 40 FHAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN([C@@H]2CCCc3ccccc32)C1 548666011 VKSKQGUWEIQAOQ-QUCCMNQESA-N 355.507 3.566 0 40 FHAB O=S(=O)(CCc1ccccc1)N(Cc1ccc(F)cc1F)C1CC1 515763030 VKXZLRDZTRLVMH-UHFFFAOYSA-N 351.418 3.502 0 40 FHAB CC(C)C(=O)N1CCC[C@@H](C(=O)NCCc2ccc(Cl)cc2Cl)C1 36395694 PMZLKIJHRQZWBQ-CQSZACIVSA-N 371.308 3.547 0 40 FHAB COc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)c(OC)c1 39994022 RKZMMYJRKIWNBO-UHFFFAOYSA-N 363.417 3.631 0 40 FHAB O=C(Nc1nnc(-c2ccccc2F)s1)c1ccnc(N2CCCC2)c1 36752410 JKQGXSOSNVJWOL-UHFFFAOYSA-N 369.425 3.592 0 40 FHAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccnc(O[C@H]2CCOC2)c1 183335351 QHEIHZBYIAOPCE-LBPRGKRZSA-N 370.302 3.660 0 40 FHAB Cc1nn(-c2ccccn2)c(C)c1CCNC(=O)Nc1c(F)cccc1F 225583135 ZVTICRKHEQNDEG-UHFFFAOYSA-N 371.391 3.527 0 40 FHAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)C(C)C 223057357 PENCTDRZVLKKRR-OAQYLSRUSA-N 366.505 3.809 0 40 FHAB CCc1cccc(C)c1NS(=O)(=O)c1cc2oc(=O)n(CC)c2cc1C 223353144 CVXPUYXBZLIFKC-UHFFFAOYSA-N 374.462 3.594 0 40 FHAB CCCO[C@](C)(CC(C)C)C(=O)Nc1cnc(OCCOCC)c(C)c1 225905078 WCEAVGOSMSWPSA-HXUWFJFHSA-N 366.502 3.975 0 40 FHAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccccc1 224596781 NDEFYJFUNQQJRM-OAQYLSRUSA-N 366.505 3.605 0 40 FHAB CC(C)Oc1ccc(CNC(=S)Nc2ccc(C(=O)N(C)C)cc2)cc1 225447973 ZRFDBRFBCZQBHM-UHFFFAOYSA-N 371.506 3.662 0 40 FHAB Cc1ccc(C(=O)C2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)c(C)c1 40087433 RDCLBCFPXHXOPA-UHFFFAOYSA-N 361.445 3.915 0 40 FHAB COc1ccc(CN2CC[C@@]3(C2)C(=O)N(CC(C)C)c2ccccc23)cc1 96100311 ADOMXWOMWOQKJY-QHCPKHFHSA-N 364.489 3.842 0 40 FHAB CCN1C(=O)CC[C@@H](C(=O)NCc2ccccc2)[C@@H]1c1ccc(C)cc1 257310283 UEMLDFPYCJCMHC-CTNGQTDRSA-N 350.462 3.611 0 40 FHAB Cc1csc(Nc2cc([C@H]3CCN(C(=O)CC(C)C)C3)nc(C)n2)n1 257218218 DCHLLSYMJIOTPN-AWEZNQCLSA-N 359.499 3.656 0 40 FHAB CCCOc1ccc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCC[C@H]3O2)cc1CN(C)C 257343585 ZTOXLDMNVZFUTJ-YVNJGZBMSA-N 374.525 3.672 0 40 FHAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)cc1)c1noc2c1CCCC2 1775978185 OFNSEJYCHDSFKP-MRXNPFEDSA-N 368.458 3.745 0 40 FHAB O=C(Cc1ccc(Br)cc1)NCc1ccc(-c2ccoc2)nc1 390828467 BDUBOCNEHXBQAZ-UHFFFAOYSA-N 371.234 3.963 0 40 FHAB Cc1ncc(CN(C)C[C@H](O)COc2ccc(-c3ccccc3)cc2)s1 47258864 IVANZPSFCZQAGB-IBGZPJMESA-N 368.502 3.990 0 40 FHAB CC(C)(C)C(=O)N[C@@H](c1nccs1)C1CCN(Cc2ccccn2)CC1 12133643 UAAJTKDXVKSODU-QGZVFWFLSA-N 372.538 3.654 0 40 FHAB O=C(NCC1CC1)C1(Cc2ccccc2-c2ccncc2)CCOCC1 12134187 PLOBDYLVUMSONJ-UHFFFAOYSA-N 350.462 3.614 0 40 FHAB CC1(C)Cc2c(cnn2Cc2ccccc2)[C@H](NC(=O)c2ccccn2)C1 12239217 TUXDLLZISYOWLR-LJQANCHMSA-N 360.461 3.770 0 40 FHAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)ccc1F 13367160 GLZATRBHOYAOMH-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB O=C(C1CCCCC1)N1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 19345977 JUEYNNQVIKLRTR-HNNXBMFYSA-N 362.857 3.992 0 40 FHAB CC(C)[C@@H](NC(=O)CCc1nc(-c2ccccn2)no1)c1ccc(F)cc1 19445763 UIGWOWDTDHGPID-LJQANCHMSA-N 368.412 3.717 0 40 FHAB COc1cccc([C@@H]2CCCN2C(=O)c2cccc3c(=O)cc(C)[nH]c23)c1 19719148 CCAYUBWEVCOFOL-IBGZPJMESA-N 362.429 3.822 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nncn2-c2ccccc2C)c1C 4501005 HYSZLTLIZMGGTH-UHFFFAOYSA-N 368.462 3.698 0 40 FHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(N(C)C)cc1 5659889 MISFZQGAUXCNFQ-ATZDWAIDSA-N 361.482 3.913 0 40 FHAB Clc1cnccc1OCC1CCN(c2nc(C3CC3)ns2)CC1 1889101143 BJDVKTSAXZYSJJ-UHFFFAOYSA-N 350.875 3.759 0 40 FHAB Cc1cc(I)ccc1NC(=O)Cc1cccs1 3299981 DRMSJWMWZNGJJY-UHFFFAOYSA-N 357.216 3.842 0 40 FHAB COc1cccc(-c2nn3c(-c4ccc(OC)c(OC)c4)nnc3s2)c1 2383989 AVGAHZVUFSXSKQ-UHFFFAOYSA-N 368.418 3.546 0 40 FHAB COc1cccc(NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)c1 5269849 NTBBTVYNRKXREE-UHFFFAOYSA-N 368.820 3.811 0 40 FHAB Cc1cc(NS(=O)(=O)c2ccc(Cl)s2)ccc1N1CCCC1=O 5329313 NBBLSJIRNDYXAI-UHFFFAOYSA-N 370.883 3.638 0 40 FHAB CN(C)[C@H](CNC(=O)c1ccc(Br)cc1)c1ccc(F)cc1 10329639 RZLGQNXUSRXMTJ-MRXNPFEDSA-N 365.246 3.621 0 40 FHAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cc(-c2cccnc2)on1 40105258 CMTDOEHLDCTIEP-QGZVFWFLSA-N 365.389 3.547 0 40 FHAB COC(=O)c1ccc(CNC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)cc1 40150006 SGFGNIHOJBUHDB-MRXNPFEDSA-N 366.461 3.984 0 40 FHAB Cc1ccc(-c2nonc2NC(=O)c2cc3ccccc3oc2=O)cc1C 20899461 UDHTZSYHNRQOTC-UHFFFAOYSA-N 361.357 3.712 0 40 FHAB CC(=O)Nc1cccc(Nc2nnc(S[C@H]3CCCCC3=O)s2)c1 32778992 MJGXKXRIYDGQEE-AWEZNQCLSA-N 362.480 3.844 0 40 FHAB CC(=O)N[C@H](CC(=O)N(C)Cc1nc2ccccc2s1)c1cccs1 21401915 YHUMYJOTDBOCBX-CQSZACIVSA-N 373.503 3.584 0 40 FHAB CCN([C@H](C)c1cccc(OC)c1)S(=O)(=O)c1ccc(F)cc1C 32927440 XZCPBZPFQOFPDH-CQSZACIVSA-N 351.443 3.915 0 40 FHAB CN(Cc1ccn(C)n1)C(=O)c1ccc(COc2ccccc2Cl)o1 2795541 MXRXJLUKQMLXHB-UHFFFAOYSA-N 359.813 3.518 0 40 FHAB CCOc1cc(-c2n[nH]c(=S)n2C[C@@H]2CCCO2)ccc1OC(F)F 2791888 AZKPLNCNULNGHT-NSHDSACASA-N 371.409 3.787 0 40 FHAB Cn1ccc(CSc2nc(C(F)(F)F)nc3ccccc23)cc1=O 42089973 YZSCLXNZSGEJHS-UHFFFAOYSA-N 351.353 3.640 0 40 FHAB O=C(O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)N1CCCCC1 3175647 DDPRLBDMKCWXIA-TZWRJOPASA-N 361.441 3.607 0 40 FHAB NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(Br)cc1 3893423 UESVOWSUBABSTK-UHFFFAOYSA-N 359.179 3.547 0 40 FHAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc2[nH]nnc2c1 22703921 QIVLSSXPPOIGEG-UHFFFAOYSA-N 350.378 3.642 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)Cn2cnc3cc(C)c(C)cc32)c1C 22813844 BOJDCPFYNBQQTF-UHFFFAOYSA-N 353.422 3.658 0 40 FHAB COc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3)o2)c1 6233896 MXLBVMQSNUEKQR-UHFFFAOYSA-N 355.419 3.784 0 40 FHAB COc1cc(C=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 852508 CDHGKOPMWKVCOR-UHFFFAOYSA-N 354.189 3.832 0 40 FHAB CCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2ccc(C)cc2)cc1 6462773 BLKNRPNMYYGYMN-UHFFFAOYSA-N 368.481 3.711 0 40 FHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1c(C)cc(C)cc1C 6961318 LLYWXGBIPBCSED-UHFFFAOYSA-N 358.463 3.756 0 40 FHAB COc1ccc(Cn2c(CCNC(=O)C(C)(C)C)nc3ccccc32)cc1 7546602 UWKMNFCIHHQMFX-UHFFFAOYSA-N 365.477 3.798 0 40 FHAB CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2ccccc2)CC1 959113 QEDJNTPZRAOHQL-UHFFFAOYSA-N 363.383 3.710 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)c1nc(-c2ccc3[nH]ccc3c2)no1 12408887 TXMQILPKCWKDTG-CQSZACIVSA-N 360.417 3.969 0 40 FHAB Cc1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c(Cl)c1 23393433 RXTJNWROAPCXQU-UHFFFAOYSA-N 365.216 3.666 0 40 FHAB COc1cc(C(=O)NCCCc2ccccc2Cl)cc(OC)c1OC 10542283 ULIPCYXIBDZFLV-UHFFFAOYSA-N 363.841 3.728 0 40 FHAB CCCc1ccc([C@H](NC(=O)c2ccc(O)nn2)c2cccs2)cc1 24112075 SYEFBJTXECUBEK-SFHVURJKSA-N 353.447 3.716 0 40 FHAB COc1cc(NC(=O)CN2CCCc3ccccc32)c(OC)cc1Cl 12526886 KAKLQAHERMOXOI-UHFFFAOYSA-N 360.841 3.749 0 40 FHAB NC(=O)[C@H](c1ccc(Cl)cc1)c1nc2ccccc2nc1C(F)(F)F 1386068 VVSMQWNZLXXKNL-CYBMUJFWSA-N 365.742 3.919 0 40 FHAB Cc1nc(C)c(S(=O)(=O)Nc2ccccc2OCC(F)(F)F)s1 72313014 HGRVEYABVSDMMA-UHFFFAOYSA-N 366.386 3.502 0 40 FHAB COc1ccccc1NC(=S)N1CCN(c2cccc(Cl)c2)CC1 1452041 CABGSEVKDZYQNV-UHFFFAOYSA-N 361.898 3.868 0 40 FHAB FC(F)(F)c1cccc(NC(=S)NNC(=S)Nc2ccccc2)c1 1440027 FHWBBTPOHSAJEO-UHFFFAOYSA-N 370.425 3.893 0 40 FHAB CCOC(=O)COc1ccc2c(=O)c(Oc3ccccc3F)coc2c1 3254099 ODUNDSLOXUANHU-UHFFFAOYSA-N 358.321 3.666 0 40 FHAB COc1ccc(NC(=O)[C@H](C)Sc2nc3ccccc3[nH]2)cc1OC 9513009 IZIAVTPRZAYKDG-NSHDSACASA-N 357.435 3.699 0 40 FHAB COCC(=O)Nc1cccc(NC(=O)N[C@H](c2cccs2)C(C)C)c1 44109365 WUZWYHSEOWGCDX-KRWDZBQOSA-N 361.467 3.852 0 40 FHAB CCC[C@@](O)(c1ccc(OC)cc1)[C@@H](CN1CCOCC1)c1ccccc1 20756574 MCPXRMSANKDTNK-XZOQPEGZSA-N 369.505 3.799 0 40 FHAB O=C1[C@@H]2[C@@H]3c4ccccc4[C@H]([C@H]4C=CC=C[C@@H]43)[C@H]2C(=O)N1c1nccs1 100607284 PLTCVYQUFQAGBO-WTSVTZNLSA-N 360.438 3.502 0 40 FHAB Cc1nc(C2(NC(=O)c3nc(-c4ccccc4)oc3C)CCCC2)no1 48264282 VMNGOCFFQUTBTK-UHFFFAOYSA-N 352.394 3.541 0 40 FHAB O=C(c1cccc(Cl)c1)N1N=C(C(F)(F)F)C[C@]1(O)c1ccccc1 59488931 GLKIQYSZKBZBRP-INIZCTEOSA-N 368.742 3.950 0 40 FHAB CC(=O)Nc1ccc(CNCc2cc(Br)ccc2F)cc1 25312839 BQXLAVJQBUQMHE-UHFFFAOYSA-N 351.219 3.836 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)c1C 20460137 OSGVUNRENJNOCV-QGZVFWFLSA-N 356.441 3.559 0 40 FHAB CC1CCN(Cc2cs/c(=N\C(=O)c3ccc4ncsc4c3)[nH]2)CC1 12784492 SPXQJMDPQAYAIM-UHFFFAOYSA-N 372.519 3.659 0 40 FHAB Cc1ccc(-c2nnc3sc(-c4cc5ccccc5o4)nn3c2=O)cc1 10312518 DHGUWJOCVWRTFV-UHFFFAOYSA-N 360.398 3.935 0 40 FHAB Cc1c(C(=O)O[C@H](C)C(=O)N2CCc3ccccc3C2)oc2ccccc12 3356198 QFVZODSKHBGJIU-OAHLLOKOSA-N 363.413 3.871 0 40 FHAB Cc1ccc(NC(=O)C[C@H](NC(N)=O)c2ccccc2)cc1C(F)(F)F 10584961 OVROILYBBHPQFT-HNNXBMFYSA-N 365.355 3.752 0 40 FHAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)[C@@H]2C[C@@H]3C=C[C@@H]2O3)sc1C 100199989 GBYWVDVCHUMISO-JJXSEGSLSA-N 360.504 3.565 0 40 FHAB CSc1nc(S[C@H](C)C(=O)O)c2c3c(sc2n1)COC(C)(C)C3 2251072 STAKFNVCPDWBDN-SSDOTTSWSA-N 370.521 3.830 0 40 FHAB O=C(Nc1ccncc1Br)Nc1ccncc1Br 62701819 KLJUYYSUMDWHCV-UHFFFAOYSA-N 372.020 3.646 0 40 FHAB O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1ccc(Br)cc1 10677078 UWRRZNIWPCEGRB-INIZCTEOSA-N 366.280 3.879 0 40 FHAB Cc1cc(C)n(-c2ccc(NC(=O)CCC(=O)c3ccc(C)s3)cn2)n1 36397352 ZFHZGVUBUWCANU-UHFFFAOYSA-N 368.462 3.856 0 40 FHAB COC(=O)c1ccc(COC(=O)c2cc3ccc(F)cc3nc2C)cc1 10859492 PMYRUBRRSZJFHM-UHFFFAOYSA-N 353.349 3.826 0 40 FHAB COc1ccc([C@@H]2CCCN2CC(=O)N(C)c2ccccc2)c(OC)c1 12820404 IRCYEUUQDDSTFZ-IBGZPJMESA-N 354.450 3.504 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(F)cc1 24218476 VEMXFXUTENKOCP-KGLIPLIRSA-N 358.413 3.760 0 40 FHAB Cc1cnc2c(S(=O)(=O)N3CCC[C@@H]3Cc3ccccc3)cccc2c1 29383808 YIXVFSZZQBHGTO-LJQANCHMSA-N 366.486 3.939 0 40 FHAB CSc1ccc(NC(=O)c2ccc(OCc3noc(C)n3)cc2)cc1 11836484 FKYPVLXWTSCXMZ-UHFFFAOYSA-N 355.419 3.931 0 40 FHAB CC(=O)N[C@@H](CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 3403050 NMSZHGNIQXCDFC-INIZCTEOSA-N 350.340 3.911 0 40 FHAB COc1ccccc1[C@@H](CNC(=O)c1ccc(OCC(C)C)cc1)N(C)C 23713831 PDGGMDSXDPCJFT-HXUWFJFHSA-N 370.493 3.763 0 40 FHAB biogenic CS(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)cc3cccnc23)c1 12982051 SXVUWGOISRMCLT-UHFFFAOYSA-N 360.822 3.544 0 40 FHAB NC(=O)CSc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1 8987250 RQVLTPFKDONTHA-UHFFFAOYSA-N 370.405 3.915 0 40 FHAB CN1CCCc2cc(NC(=O)CCc3nc(-c4cccs4)no3)ccc21 64846041 RUTBSUQNYPLLEX-UHFFFAOYSA-N 368.462 3.752 0 40 FHAB C[C@H](Sc1ncnc2sc3c(c12)CCCC3)C(=O)NCc1ccco1 6111998 WFUBMKAJVAUVNU-NSHDSACASA-N 373.503 3.960 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc(C)cs2)c1C 5101545 IVTSKEIKELKYPR-NSHDSACASA-N 352.481 3.937 0 40 FHAB CCOc1ccccc1C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)C 5227230 YHLRQKWZDCUFML-IBGZPJMESA-N 355.434 3.583 0 40 FHAB O=C(COc1ccc2ccccc2c1)N1CCC[C@H]1c1nnc2ccccn12 14171526 LNMSWDXNVKWGOP-IBGZPJMESA-N 372.428 3.625 0 40 FHAB COc1ccc(-c2nnc(S[C@H](C)C(=O)N3CCCC3)n2C(C)C)cc1 4549201 MFIIHEZULWLJPN-CQSZACIVSA-N 374.510 3.638 0 40 FHAB N=c1n(Cc2ccc(Cl)cc2)c2ccccc2n1C[C@@H](O)c1ccco1 19707041 SLBPOUTXKRGMHU-GOSISDBHSA-N 367.836 3.951 0 40 FHAB Cc1nc(Nc2ncc3c(n2)C[C@@H](c2ccco2)CC3=O)nc2ccccc12 9313429 SOWMNGYOGMGOPK-CYBMUJFWSA-N 371.400 3.978 0 40 FHAB O=C(CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12)N1CCCCC1 4735498 QPOHRYVMTFKROT-QFIPXVFZSA-N 373.456 3.726 0 40 FHAB CCOC(=O)CSc1cc(Nc2ccc(Br)cc2)ncn1 6794755 KSNZNVFXNCLSIO-UHFFFAOYSA-N 368.256 3.638 0 40 FHAB C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)NCc1ccco1 4890139 URXGAPJENGGCIF-CYBMUJFWSA-N 368.462 3.535 0 40 FHAB Cc1ccc(N2C(=O)c3ccc(C(=O)NCc4ccco4)cc3C2=O)cc1C 4826015 NBGHAZDAFFQYGJ-UHFFFAOYSA-N 374.396 3.627 0 40 FHAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CC2)cc1 7054352 LIZAQZSETSBHNR-UHFFFAOYSA-N 372.490 3.677 0 40 FHAB Cc1ccc(CN(C)Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)c(C)c1 7674419 VRIAKRLAOAWWDM-UHFFFAOYSA-N 353.491 3.722 0 40 FHAB CO[C@@H](CNC(=O)c1ccc(Cn2cccn2)cc1)c1ccc(Cl)cc1 72296788 CHOCFKKXYCWENR-IBGZPJMESA-N 369.852 3.702 0 40 FHAB Cc1cnc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)s1 7982606 DAEJAKGPFJTGLK-UHFFFAOYSA-N 361.430 3.952 0 40 FHAB O=C(Nc1ccccc1N1CCOCC1)c1csc(-c2cccs2)n1 8133257 MVYKVQHQGKXARU-UHFFFAOYSA-N 371.487 3.961 0 40 FHAB Cc1ccc(-c2cnnn2-c2ccc(C(=O)Nc3ccncc3)cc2)cc1 8346061 XMPGKXYPLDONFO-UHFFFAOYSA-N 355.401 3.890 0 40 FHAB COc1ccc(-c2nc(C(=O)NCCc3ccccc3F)cs2)cc1 8369549 FWYWZICOIGBJAT-UHFFFAOYSA-N 356.422 3.930 0 40 FHAB C[C@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccco1 8324476 KRSZMDARCYFCNM-HNNXBMFYSA-N 373.412 3.529 0 40 FHAB CCOc1cc(Cl)c(S(=O)(=O)NCc2ccccc2)cc1Cl 8714591 KMTOOYXHVQCJHX-UHFFFAOYSA-N 360.262 3.871 0 40 FHAB CN(CC(=O)NC(C)(C)C)Cc1nc(-c2cc3ccccc3o2)cs1 8768291 WABRAGAFPBCXHI-UHFFFAOYSA-N 357.479 3.903 0 40 FHAB Cc1c(C)c(C)c(S(=O)(=O)Nc2cnc3c(c2)c(C)nn3C)c(C)c1C 22959372 MOKHQOULXVEMAP-UHFFFAOYSA-N 372.494 3.620 0 40 FHAB CCCC1(CCC)NC(=O)N(Cc2ccc(F)cc2Br)C1=O 24950588 DELIFKVDCVKELL-UHFFFAOYSA-N 371.250 3.979 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(OC)c1 20049831 VPTGONRTJBIYTP-HUUCEWRRSA-N 370.449 3.630 0 40 FHAB Cc1cccc(COCC[C@H]2CO[C@H]3CN(Cc4ccccc4F)C[C@@H]23)n1 306138681 SEDWGPUHQCJHQY-VCOUNFBDSA-N 370.468 3.583 0 40 FHAB Cc1cccc(-c2cccc(CNC(=O)c3cc(O)nc(C4CC4)n3)c2)c1 553417163 JMLPXZOZASIKQM-UHFFFAOYSA-N 359.429 3.965 0 40 FHAB CCCCC[C@@H](O)CC[C@@H]1[C@H](CCCCCCC(=O)O)C(=O)C[C@H]1O 27639714 DPOINJQWXDTOSF-SFNKJDCFSA-N 356.503 3.699 0 40 FHAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2cccc(Cl)c2)cc1OC 32831158 BBTIPQIWOQPHQX-GFCCVEGCSA-N 369.870 3.787 0 40 FHAB CCOC(=O)N1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(OC)cc1OC 2097884 LCFDWUSJFVKNSI-YVWKXTFCSA-N 363.454 3.528 0 40 FHAB biogenic CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)OC[C@@H](O)CO 4411074 HDIFHQMREAYYJW-UXHICEINSA-N 372.546 3.891 0 40 FHAB biogenic COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2c(C)cccc2C)cc1 35289400 SWJLOKUUJPZGOO-GOSISDBHSA-N 367.449 3.947 0 40 FHAB COc1ccc(Br)cc1CN(C)C(=O)Cc1ccc(F)cc1 36759010 RWQDHKQCBDERCW-UHFFFAOYSA-N 366.230 3.798 0 40 FHAB CCc1ccc2oc(C(=O)Nc3ccc4c(c3)NC(=O)CO4)c(C)c2c1 32593361 PJJJUXFFUMEXOA-UHFFFAOYSA-N 350.374 3.887 0 40 FHAB Cc1ccc(C(=O)CCC(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1C 30030033 IRVDJIRJKWKIKT-NRFANRHFSA-N 364.489 3.782 0 40 FHAB Cc1ccc2nc([C@H]3CCCN(c4nccc(-c5cnccn5)n4)C3)[nH]c2c1 560212039 AKGCSKUMEMNRLU-HNNXBMFYSA-N 371.448 3.502 0 40 FHAB COc1cccc2c1ccn2CC(=O)N1CCc2[nH]c3ccccc3c2C1 72324696 HGVPPIYQKVAVHA-UHFFFAOYSA-N 359.429 3.716 0 40 FHAB biogenic O=C(Nc1ccccc1C(F)(F)F)N1CC(c2nc(C3CC3)no2)C1 70637041 SYJOOPBBTFOUES-UHFFFAOYSA-N 352.316 3.597 0 40 FHAB COc1ccc(-c2noc([C@@H]3CCN(Cc4cccc(F)c4)C3)n2)cc1 72369929 LCRHIQNXMYUPGT-MRXNPFEDSA-N 353.397 3.874 0 40 FHAB CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(Br)cc2)C1 83552707 XMUSWGFWVBNSTM-AWEZNQCLSA-N 355.276 3.548 0 40 FHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOCc1ccccc1 225144346 KABIJSYESGWXFY-QGZVFWFLSA-N 353.462 3.666 0 40 FHAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1OCC 45383228 ZQNISIOVYCPGAJ-CQSZACIVSA-N 373.449 3.992 0 40 FHAB CCOc1ccc(-c2noc(CNC(=O)Cc3cccc(Cl)c3)n2)cc1 224948474 HTGIGBWHQSTPIG-UHFFFAOYSA-N 371.824 3.648 0 40 FHAB COc1ccc(CC(=O)N(C)Cc2nc(-c3ccccc3C)no2)cc1C 224985735 KNKATUQMDHFDKV-UHFFFAOYSA-N 365.433 3.563 0 40 FHAB COc1cc(C(=O)O)cc(CSC)c1OC(=O)c1ccccc1F 226288991 WBZGGAAQLFUMPB-UHFFFAOYSA-N 350.367 3.615 0 40 FHAB COC(=O)c1cc(NC(=O)C(CC(C)C)(CC(C)C)OC)ccc1OC 225798047 KETRDALXEMVXBV-UHFFFAOYSA-N 365.470 3.898 0 40 FHAB CC(C)(C)OC(=O)N1CCC(=O)[C@@H](Cc2ccc(Br)cc2)C1 228909918 CZLNAPMQLSYHIT-ZDUSSCGKSA-N 368.271 3.818 0 40 FHAB COC[C@H](C)NC(=O)c1ccccc1-c1ncc(-c2cccc(OC)c2)o1 224905186 ZCAIZGWRQRBXSU-AWEZNQCLSA-N 366.417 3.782 0 40 FHAB Cc1ccc([C@@H]2[C@H](C(=O)Nc3c(C)nn(C(C)C)c3C)CC(=O)N2C)cc1 96181245 GKBCQZSXTQUKIF-YLJYHZDGSA-N 368.481 3.547 0 40 FHAB Cc1cc(Cl)c2c(c1)[C@H](NC1CCN(c3ncccn3)CC1)CCCO2 585081507 NKMNALJSXFVXEU-GOSISDBHSA-N 372.900 3.911 0 40 FHAB C[C@@H](NCc1cccc(Cl)c1)c1onc(-c2cccnc2)c1C(=O)O 96296903 HMJVOJBMVQXNEH-LLVKDONJSA-N 357.797 3.939 0 40 FHAB biogenic,in-vitro COc1cc(-c2coc3ccc(OCC(=O)O)cc23)cc(OC)c1OC 96221506 QXXJZURTCQTMBR-UHFFFAOYSA-N 358.346 3.589 0 40 FHAB biogenic COc1ccc([C@@H](C)NC(=O)Nc2nc(-c3ccccc3)no2)cc1F 97143636 YCJPOKOOWAEISV-LLVKDONJSA-N 356.357 3.767 0 40 FHAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)N[C@H](C)c2ccccc2)CC1=O 240803883 BBGFGXOVDFIQMB-ZBFHGGJFSA-N 356.853 3.879 0 40 FHAB C[C@H](NC(=O)[C@H]1[C@@H]2[C@H]1CC[C@]21CC(=O)c2ccccc2O1)c1ccccc1 248252349 MTUYDFNNRNSSRA-SWMSIUNYSA-N 361.441 3.924 0 40 FHAB Cc1nn(C)cc1CN1CCO[C@H](c2cccc(-c3cccc(F)c3)n2)C1 257321877 WDQOYKFWURLTRB-NRFANRHFSA-N 366.440 3.503 0 40 FHAB CN(C)Cc1cc([C@H]2CC[C@H](CN(C)C(=O)[C@@H]3CC=CCC3)CC2)nn1C 257297039 RFNKGEGOGLAGJD-GUDVDZBRSA-N 372.557 3.570 0 40 FHAB CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1[nH]c2ccc(F)cc2c1C 257332189 XWELFDPGEMUKOI-RXVVDRJESA-N 371.456 3.621 0 40 FHAB OC[C@@H](c1ccc(Cl)cc1)N1CCN(Cc2cccc3cc[nH]c23)CC1 678261676 WURZTNMSBKZXRN-FQEVSTJZSA-N 369.896 3.673 0 40 FHAB C[C@@H]1CN(c2ccc3cn[nH]c3c2)C(=O)CN1Cc1ccc(Cl)s1 82127204 AJLWVQHBCHCAOP-LLVKDONJSA-N 360.870 3.515 0 40 FHAB CCC(=O)N1CC[C@H](NCc2ccc(-c3scnc3C)cc2)[C@@H](C)C1 1616044662 OIJPSHGOWLSDCE-KSSFIOAISA-N 357.523 3.855 0 40 FHAB CO[C@@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)c1cccc(F)c1 96388303 RYFCCRQBADMXEA-HNNXBMFYSA-N 357.303 3.842 0 40 FHAB CCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1CCCC1)C2 585106748 HKVQQFSXAARLLQ-QFIPXVFZSA-N 364.493 3.720 0 40 FHAB CC[C@H](C)Oc1cccc(NC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)c1 57070676 DQCHNDAYFNTVQM-GJZGRUSLSA-N 368.433 3.617 0 40 FHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NC1CCN(C(=O)Nc2ccccc2)CC1 107134227 NZKZNJIXSDFHPX-YESZJQIVSA-N 355.482 3.625 0 40 FHAB O=C1C[C@]2(CCCN(Cc3ccsc3)CC2)Nc2ccccc2CN1 1615525310 CFNPCIDYZZNQKK-HXUWFJFHSA-N 355.507 3.605 0 40 FHAB CCc1c(C)noc1-c1cnc(-c2ccncc2)nc1-c1cnc(C)cn1 12233579 JJFMRPZUVCVIFY-UHFFFAOYSA-N 358.405 3.830 0 40 FHAB CCCc1nccc(-c2c[nH]nc2C2CCN(C(=O)C3CCCC3)CC2)n1 19525810 IEQLBKUNYDEVRG-UHFFFAOYSA-N 367.497 3.715 0 40 FHAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H](c2cc3ncccc3[nH]2)C1 19580661 IYQYUEYYVFPQFO-OAHLLOKOSA-N 352.438 3.507 0 40 FHAB COc1ccccc1CNC(=O)c1nn(-c2ccccc2Cl)cc1C 154856602 YIUFRUYAPKBLBU-UHFFFAOYSA-N 355.825 3.773 0 40 FHAB CCn1c(CNC(=O)C23CC4CC(CC(C4)C2)C3)nnc1SC(C)C 4087495 MQSJIXOIMJXJLW-UHFFFAOYSA-N 362.543 3.631 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2cc3ccccc3[nH]2)c1 5492282 UQUNOAPPJUHKTL-CYBMUJFWSA-N 350.374 3.555 0 40 FHAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NCCc1ccccc1 6172449 AJEJPAHWTIHXBV-UHFFFAOYSA-N 373.865 3.841 0 40 FHAB COCCn1c(SCc2ccccc2)nc2sc3c(c2c1=O)CCC3 6466128 ZORWYHOCTYXBKB-UHFFFAOYSA-N 372.515 3.885 0 40 FHAB O=C(CCc1ccc(F)c(Cl)c1)N1CC[C@H]2CN(c3ccccn3)C[C@@H]21 1889149513 PTAUKSPHWOVPFV-YJBOKZPZSA-N 373.859 3.544 0 40 FHAB COc1cccc(-n2ccnc2SCC(=O)Nc2cccc(C)c2)c1 2723128 ZGBAOFVMUQIIPO-UHFFFAOYSA-N 353.447 3.920 0 40 FHAB Cc1ccc(-c2nc(CCNS(=O)(=O)c3ccc(C)cc3)cs2)cc1 4570671 MKSONPPIRIMWGZ-UHFFFAOYSA-N 372.515 3.948 0 40 FHAB CC(=O)c1ccc(NC(=O)c2cccn(Cc3cc(C)ccc3C)c2=O)cc1 5270030 RNHWVZZJHVMXSR-UHFFFAOYSA-N 374.440 3.968 0 40 FHAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc2c(c1)OCO2 7912938 KHZUQXHVZLFQKB-UHFFFAOYSA-N 371.780 3.690 0 40 FHAB CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1ccc2ncccc2c1 3999983 DOGZCOKBQKEFJB-HRBBJJPOSA-N 355.441 3.872 0 40 FHAB biogenic O=C(N/C(=C\c1ccccc1F)C(=O)N1CCCCCC1)c1ccccc1 13810081 SSROSODITJEHOA-SILNSSARSA-N 366.436 3.999 0 40 FHAB CCNC(=O)c1ccccc1NC(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 28010574 SRCVDEXRKPHDAN-GPMSIDNRSA-N 360.498 3.852 0 40 FHAB O=C(Cc1cccc(F)c1)NCc1cccc(OCc2ccccn2)c1 32930605 FPBLGOCAFSFEFQ-UHFFFAOYSA-N 350.393 3.659 0 40 FHAB Cc1ccccc1OCCN(C)C(=O)Cc1c(C)nn(CC(C)C)c1C 40001053 CBBKELKHQCZUSR-UHFFFAOYSA-N 357.498 3.544 0 40 FHAB CC(C)(C)c1cn2nc(NCCc3ccc4c(c3)OCCO4)sc2n1 40051236 CIVDGWAVVGGLRR-UHFFFAOYSA-N 358.467 3.514 0 40 FHAB O=C(c1cccc2ccccc12)N1CCC[C@@H](c2nnc3ccccn23)C1 40011928 XUBXDCJWDBKHQT-QGZVFWFLSA-N 356.429 3.902 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)c1ccccc1N(C)C(=O)C1CC1 40143267 YIUGKNSAZSULFS-INIZCTEOSA-N 350.462 3.811 0 40 FHAB Cc1cc(C(=O)NCc2ccccc2)c2c(C)nn(-c3ccccc3)c2n1 20578901 JTEQGJSMUDPDNP-UHFFFAOYSA-N 356.429 3.967 0 40 FHAB CC(C)c1nnc(SC[C@H](O)COc2ccccc2)n1Cc1ccco1 32865344 JJGQOYRZIPMTFF-OAHLLOKOSA-N 373.478 3.575 0 40 FHAB COc1ccccc1-c1cc(COC(=O)[C@@H]2COc3ccccc3C2)on1 32865972 QPDMZBXRSBDNSH-HNNXBMFYSA-N 365.385 3.645 0 40 FHAB Cc1cccc(Cc2cnc(NC(=O)[C@@H]3COc4ccccc4O3)s2)c1 818333 DCAYBWBZSQDACQ-SFHVURJKSA-N 366.442 3.821 0 40 FHAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccccc1)C[C@@H]1CCCO1 908037 KKXMRXFYCZGUFP-SFHVURJKSA-N 363.413 3.614 0 40 FHAB CCOC(=O)[C@H](C)n1cnc2scc(-c3ccc(C)c(C)c3)c2c1=O 921266 CCDKSFRQRUWOOB-ZDUSSCGKSA-N 356.447 3.866 0 40 FHAB CCOC(=O)[C@@H](C)Oc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1 941355 SBWFJSUMLJKJJL-CYBMUJFWSA-N 368.385 3.799 0 40 FHAB biogenic COc1cc2nc(SCc3ccccc3)n3nc(C)nc3c2cc1OC 1402098 ZZOGNYOYGSZEPG-UHFFFAOYSA-N 366.446 3.895 0 40 FHAB CC(C)COC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 2256881 URQFQRYXZGAWSB-UHFFFAOYSA-N 364.405 3.621 0 40 FHAB COC(=O)c1ccc(/C=C/C(=O)Nc2nc(-c3cccnc3)cs2)cc1 2632879 NGLACRBRIGFNTL-RMKNXTFCSA-N 365.414 3.644 0 40 FHAB CCOc1ccc(NC(=O)c2nnn(-c3cc(C)cc(C)c3)c2C)cc1 2698870 MJAYVZGZRDCGGI-UHFFFAOYSA-N 350.422 3.844 0 40 FHAB CCOC(=O)CCc1c(C)c2c(OC)cc3c(c2oc1=O)CCC(C)(C)O3 2726588 CQSIVRSQNRBPHM-UHFFFAOYSA-N 374.433 3.709 0 40 FHAB biogenic Cc1cc(C(F)F)nn1Cc1nc2c3c4c(sc3ncn2n1)CCCC4 2789951 ZFKNHZGPOVXGDP-UHFFFAOYSA-N 374.420 3.709 0 40 FHAB Fc1ccc([C@@H]2C[C@@H](c3cccc(Br)c3)Nc3nnnn32)cc1 2914566 HFGAQXIVYAIPPL-GJZGRUSLSA-N 374.217 3.721 0 40 FHAB COc1cccc(NC(=O)[C@@H](Sc2nnc(C)n2C)c2ccccc2)c1 3487121 JGRCUBPQBKIFMH-KRWDZBQOSA-N 368.462 3.604 0 40 FHAB CCOCc1c(C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)oc2ccccc12 3545999 KHISHJOOLXBBME-WMLDXEAASA-N 373.449 3.821 0 40 FHAB O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Cl)c(C(=O)O)c1 3899737 UINHDBLBHNWJHK-UHFFFAOYSA-N 361.810 3.645 0 40 FHAB CCOc1ccc(N2C[C@@H](NC(=O)c3cccc4ccccc34)CC2=O)cc1 4497256 OQLKMCGEHLSANE-KRWDZBQOSA-N 374.440 3.774 0 40 FHAB O=C(Nc1ncc2c(n1)C[C@@H](c1ccccc1)CC2=O)c1cccc(F)c1 4777162 YJCUKYGCQDMKHW-OAHLLOKOSA-N 361.376 3.781 0 40 FHAB O=C1OCC2=C1[C@@H](c1ccc3c(c1)OCO3)c1c(ccc3ccccc13)N2 4930150 BUNXWJURMDKAJL-IBGZPJMESA-N 357.365 3.937 0 40 FHAB CCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(OC)cc1 5462738 BVVVUMSUYNURQC-FQEVSTJZSA-N 363.417 3.746 0 40 FHAB Cc1cc(=O)oc2c3c(ccc12)OCN(C1CC(C)(C)NC(C)(C)C1)C3 6758692 GRKOIADYNJFOEO-UHFFFAOYSA-N 356.466 3.563 0 40 FHAB COc1ccc(NC(=O)COCc2cc(-c3cccs3)on2)c(OC)c1 6876559 ACHUASMIVDLITD-UHFFFAOYSA-N 374.418 3.576 0 40 FHAB COC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 6919598 DEUHJENKPVBREL-UHFFFAOYSA-N 360.218 3.581 0 40 FHAB O=C(CSc1nc2ccccc2o1)Nc1cccc(N2CCCC2=O)c1 6988189 JPAHOHDLNVWRKA-UHFFFAOYSA-N 367.430 3.685 0 40 FHAB COc1cn(-c2ccccc2)nc1C(=O)Nc1nc2ccccc2s1 7280485 USVQFYWJQPYBFC-UHFFFAOYSA-N 350.403 3.743 0 40 FHAB O=S(=O)(Nc1c(F)cccc1F)c1ccc(Br)s1 7405394 ZTELETLMVIDSRR-UHFFFAOYSA-N 354.197 3.590 0 40 FHAB O=C(c1ccco1)N(CCCn1ccnc1)c1nc2c(F)cccc2s1 7424492 BVFXICOCSPZOSK-UHFFFAOYSA-N 370.409 3.962 0 40 FHAB Cc1cc(=O)n2c(n1)NC(Nc1ccc(C)c(C)c1)=N[C@@H]2c1ccccc1 7496356 XLALBWJLMUOURC-IBGZPJMESA-N 359.433 3.609 0 40 FHAB CCCc1ccc(C(=O)CCC(=O)OCC(=O)c2cc(C)n(C)c2C)cc1 7814590 CMTZRYPUUCPSRT-UHFFFAOYSA-N 369.461 3.983 0 40 FHAB O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(N2CCCCCC2)cc1 8156223 ZIUSHFJVOBUAQI-UHFFFAOYSA-N 365.433 3.614 0 40 FHAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(C)c(F)c1 8259626 FMOBHGMAVFAPCH-UHFFFAOYSA-N 351.761 3.592 0 40 FHAB CCOc1ccc(SCC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 8777573 CDHLUELBDREYQD-UHFFFAOYSA-N 350.528 3.603 0 40 FHAB Cc1cccc(NC(=O)CN(C)C(=O)CSCc2cccs2)c1C 9154684 KHXQSRZKDZPICQ-UHFFFAOYSA-N 362.520 3.695 0 40 FHAB Cc1c(C(=O)N2CCN(C(=O)C(C)C)CC2)oc2c1ccc1ccccc12 9500003 WZCSVRXPEAKHCT-UHFFFAOYSA-N 364.445 3.835 0 40 FHAB C[C@@H]1CCCN(C(=O)Cc2csc(NC(=O)Nc3ccccc3)n2)C1 9784570 RLRLITUJMWPYEQ-CYBMUJFWSA-N 358.467 3.588 0 40 FHAB CCCCOc1ccc(C(=O)N2c3ccccc3C[C@@H]2C(=O)NCC)cc1 10256019 PJRXGIJMIOEFCF-HXUWFJFHSA-N 366.461 3.573 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1ccccc1Cl 10684196 FLBFFHATWQYBKO-CYBMUJFWSA-N 360.841 3.886 0 40 FHAB O=C1c2ccccc2N[C@H](c2ccc(OC[C@H]3CCCO3)cc2)N1C1CC1 11034728 KPMXFZKDNPBHNP-NQIIRXRSSA-N 364.445 3.973 0 40 FHAB Cc1ccc2nc(COc3ccc(C(=O)NCc4ccco4)cc3)cn2c1 11558961 IPMDAOSZCSMWRE-UHFFFAOYSA-N 361.401 3.745 0 40 FHAB O=C(Nc1ccc(F)cc1)c1cc(=O)c(OCc2ccc(F)cc2)co1 11856828 YIOSLXPDGVCDPB-UHFFFAOYSA-N 357.312 3.749 0 40 FHAB Cc1nccn1[C@@H](C)CC(=O)N[C@H](Cc1ccsc1)c1nccs1 12087880 CLPMEVFGMCDBIQ-SWLSCSKDSA-N 360.508 3.761 0 40 FHAB CCn1c(CO)nc2cc(NCc3cn(C)c4cc(F)ccc34)ccc21 12147664 LPDPMWZTKVIWDG-UHFFFAOYSA-N 352.413 3.791 0 40 FHAB COc1ccccc1C[C@H](C)NC(=O)c1cc2ccccc2c(=O)s1 12196299 BFILQJOZMUYKBO-ZDUSSCGKSA-N 353.443 3.631 0 40 FHAB O=C(CCn1c(-c2ccncc2)cc2cccnc21)NCc1ccc(F)cc1 12292674 RACSRVBTDKOOJR-UHFFFAOYSA-N 374.419 3.944 0 40 FHAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1c[nH]c(=S)n1-c1ccccc1 12532798 UUKVMJAAODWOLZ-UHFFFAOYSA-N 367.430 3.536 0 40 FHAB Fc1ccccc1-n1cnnc1SCc1nc(-c2ccsc2)no1 12533914 OXJGTSCIWKTJHL-UHFFFAOYSA-N 359.411 3.810 0 40 FHAB O=C(Cc1ccc(Cl)c(Cl)c1)N[C@H]1CCN(Cc2ccccc2)C1 12788693 JSODCIXTILFYSU-INIZCTEOSA-N 363.288 3.927 0 40 FHAB COc1cc(OC)c2[nH]c(C(=O)O[C@H](C)C(=O)c3ccccc3)cc2c1 12908206 VMEDZMIYBBMKGQ-GFCCVEGCSA-N 353.374 3.613 0 40 FHAB O=C(Nc1cc(F)cc(F)c1)[C@H]1CCCCN1C(=O)c1cccs1 13001108 BKKSEQDDEYWPNL-CQSZACIVSA-N 350.390 3.660 0 40 FHAB Fc1ccc(Nc2nc(NCCc3ccccc3)nc3nccnc23)cc1 13010672 OPAWDCDSXGOCKW-UHFFFAOYSA-N 360.396 3.957 0 40 FHAB COc1cccc([C@@H]2C[C@H](c3ccccc3Cl)n3nc(N)nc3N2)c1 13127477 HABVYQVBAGMWHH-JKSUJKDBSA-N 355.829 3.669 0 40 FHAB Nc1nc2n(n1)[C@H](c1ccco1)C[C@H](c1ccc(Cl)c(Cl)c1)N2 13127551 MFPXQSHETAFTKO-NEPJUHHUSA-N 350.209 3.906 0 40 FHAB Cc1c(C(=O)O)sc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c12 13418078 IQEBAXSJCAVOHK-UHFFFAOYSA-N 369.229 3.820 0 40 FHAB CCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1cccc(C)c1 13479921 SYSDFPDWUZRTHD-UHFFFAOYSA-N 350.418 3.507 0 40 FHAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)c1ccc3ccccc3c1)C2=O 14093588 OSQQADQWNLTFBZ-SZNDQCEHSA-N 350.418 3.523 0 40 FHAB Cc1ccc2nc3n(c2c1)CN(Cc1ccccc1)CN3C[C@H]1CCCO1 17074612 LOZRDSRTIKXLPH-LJQANCHMSA-N 362.477 3.761 0 40 FHAB CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)C(C)C)cc2s1 17074976 UHJVQFBFPWSCJP-UHFFFAOYSA-N 364.496 3.504 0 40 FHAB c1ccc(CC2N3[C@H](Cc4ccccc4)N[C@@H](Cc4ccccc4)N23)cc1 19170319 FLEMRTPTNCXWLO-NRWJSGKTSA-N 355.485 3.829 0 40 FHAB Cc1ccc2c([C@H](O)CN3CCN(c4ccccc4F)CC3)c(C)[nH]c2c1 19219632 MUQIAGNRNAKROX-OAQYLSRUSA-N 367.468 3.779 0 40 FHAB O=C(c1cccs1)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19342637 OOYDOMIEPOTGPI-UHFFFAOYSA-N 371.487 3.580 0 40 FHAB COC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 20037688 AUHSZDQJJDKBSU-INIZCTEOSA-N 366.461 3.957 0 40 FHAB CCOC(=O)c1c(SCC)nc2cc(F)c(F)cc2c1OC(C)=O 21298163 SQBUMINRQFVBQZ-UHFFFAOYSA-N 355.362 3.727 0 40 FHAB CC(C)c1ccc(Cn2c(=O)c3sccc3n3c(S)nnc23)cc1 21729873 ISTIFWBZRCZPGV-UHFFFAOYSA-N 356.476 3.566 0 40 FHAB Cc1noc(C)c1CCC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C 23917785 MOOLJLKTQJSOQA-HXUWFJFHSA-N 358.438 3.509 0 40 FHAB C[C@H](c1nc(-c2ccco2)no1)N1CCC(C(=O)c2ccccc2)CC1 25946840 JUADOSCLYNNPRF-CQSZACIVSA-N 351.406 3.986 0 40 FHAB COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1F 27316207 IMUAOYSUGLJCMP-UHFFFAOYSA-N 368.364 3.610 0 40 FHAB O=C(CCc1nc2ccccc2s1)N1CCO[C@@H](c2ccccc2)C1 27900618 PXINUPXLNRBDQK-QGZVFWFLSA-N 352.459 3.829 0 40 FHAB C[C@@H](NS(=O)(=O)c1cccc(F)c1)c1cccc(Br)c1 28048036 ORNXKWRPBUPWLZ-SNVBAGLBSA-N 358.232 3.628 0 40 FHAB COc1cc(CCC2CCN(Cc3nc(C4CC4)no3)CC2)cc(OC)c1 29455721 JERPDHJWYPIYBJ-UHFFFAOYSA-N 371.481 3.809 0 40 FHAB O=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)c1ccccc1O 31896259 MRFINVIIZNDFRB-INIZCTEOSA-N 362.832 3.752 0 40 FHAB O=C1COc2ccc(NC(=O)c3ccc(-c4ccccc4F)o3)cc2N1 32716693 HUBVGVJSJSOYLM-UHFFFAOYSA-N 352.321 3.669 0 40 FHAB C[C@@H](c1ccccc1Cl)N1CCN(Cn2ncsc2=S)CC1 32770244 VCFGHEOLKJCADG-LBPRGKRZSA-N 354.932 3.664 0 40 FHAB O=C1CCSc2ccc(C(=O)NCC3(c4ccccc4)CCC3)cc2N1 32882337 VAHLUTDIXVQZDK-UHFFFAOYSA-N 366.486 3.973 0 40 FHAB O=C(CCSCc1ccccc1)NCc1ccc(-n2ccnc2)cc1 38757089 JYPAPRNXCQKWIZ-UHFFFAOYSA-N 351.475 3.812 0 40 FHAB CC(=O)Nc1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 39747905 ULDWGRBLHGFKCG-UHFFFAOYSA-N 369.440 3.635 0 40 FHAB CCCn1nc(C(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)ccc1=O 40122591 ABXSWUVXJWYKJS-KRWDZBQOSA-N 359.445 3.700 0 40 FHAB CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(OC)cc1 40152979 FNRAWTRLQCGECD-LJQANCHMSA-N 368.481 3.609 0 40 FHAB CCOc1ccccc1NC(=O)NCC1CCN(c2ccccn2)CC1 43976506 PKWUOMBPHWUOGZ-UHFFFAOYSA-N 354.454 3.518 0 40 FHAB CCc1ccccc1O[C@H](C)C(=O)NCc1ccc(CN2CCCC2)cc1 44872837 YITPYQJBKCWXEZ-GOSISDBHSA-N 366.505 3.929 0 40 FHAB Cc1nccn1Cc1ccc(C(=O)NCCCc2ccc(F)cc2)cc1 44906559 SMBXZDOCKKGRLO-UHFFFAOYSA-N 351.425 3.742 0 40 FHAB C[C@H]1CN(Cc2ccc(CNC(=O)c3ccc(F)cc3F)cc2)C[C@H](C)O1 48275205 AOWCKKIEGUIEPC-GJZGRUSLSA-N 374.431 3.504 0 40 FHAB COc1ccccc1[C@@H](NC(=O)c1cc(C)sc1C)c1nccn1C 48289097 NOISGRZZZTVTBB-QGZVFWFLSA-N 355.463 3.626 0 40 FHAB Cn1cnnc1[C@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C1 48303396 LEIXMUKRGNCCME-AWEZNQCLSA-N 370.453 3.703 0 40 FHAB COC(=O)c1c(NCc2ccccc2C)c2cc(Cl)ccc2[nH]c1=O 49001563 QSPPHZAXCJSFGU-UHFFFAOYSA-N 356.809 3.889 0 40 FHAB O=C(CCc1ccccc1)Nc1cccc(N2CCN(CC3CC3)CC2)c1 56479010 KHAAIPUBPDIQFH-UHFFFAOYSA-N 363.505 3.790 0 40 FHAB O=C(NC[C@@H]1COCCO1)Nc1ccc(-c2nc3ccccc3s2)cc1 56564026 DHTQEYWDRHITOZ-OAHLLOKOSA-N 369.446 3.500 0 40 FHAB O=c1oc2c3c(c(Cl)cc2c2c1CCC2)OCN(Cc1ccncc1)C3 57099749 MQXQUXZBYLTVCI-UHFFFAOYSA-N 368.820 3.682 0 40 FHAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CNC(=O)c1ccccc1 57559385 NLDNGWBLAYPMPH-VQTJNVASSA-N 350.462 3.601 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)[S@@](=O)Cc2ccc(Cl)cc2Cl)no1 58175670 QXNPUCHBODFSKM-PVBMHHQDSA-N 361.250 3.566 0 40 FHAB Cc1ncc(CN(C)C(=O)Nc2cccc(Oc3ncccn3)c2)s1 58265434 QSBBMYSAIMDERT-UHFFFAOYSA-N 355.423 3.698 0 40 FHAB O=C(O)c1c(F)cccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 58357644 YAWAPKVEPTUNIK-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB CC(=O)Nc1cc(C(=O)Nc2nc(-c3ccccc3)ns2)ccc1C 58402653 RDKKXYVJAKAYAT-UHFFFAOYSA-N 352.419 3.724 0 40 FHAB Cc1cccnc1CN(C(=O)c1cnc(Nc2ccccc2)nc1)C(C)C 65500239 PRDZJYNXCDCPEJ-UHFFFAOYSA-N 361.449 3.974 0 40 FHAB CCOc1cc2c(c3[nH]c(C(=O)Nc4ncccc4OC)cc13)O[C@H](C)C2 65596018 YLXSCJZBIVNNJP-LLVKDONJSA-N 367.405 3.546 0 40 FHAB CCc1ccc(Nc2nn[nH]c2C(=O)NCc2ccc(F)c(Cl)c2)cc1 67283541 CRFDCTRDHICSSF-UHFFFAOYSA-N 373.819 3.833 0 40 FHAB CN(C)CCOc1cccc(CNC(=O)c2ccc(C(C)(C)C)cc2)c1 69444329 ZTKOMLLLZWJKOZ-UHFFFAOYSA-N 354.494 3.855 0 40 FHAB COc1cccc2sc(N(C)CC(=O)Nc3cccc(C(C)=O)c3)nc12 70973316 IAIXYAVTLYJIQG-UHFFFAOYSA-N 369.446 3.582 0 40 FHAB COC(=O)c1ccc(NC(=O)c2sc(-c3ccncc3)nc2C)cc1 71287507 KDSYNASRERIZHB-UHFFFAOYSA-N 353.403 3.552 0 40 FHAB CC(C)(C)c1ccc(CSc2nc3cc(F)ccc3c(=O)n2N)cc1 71768810 ZVLXMYRBISKOHP-UHFFFAOYSA-N 357.454 3.839 0 40 FHAB O=C(CC1CCCC1)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1 72334954 PSUWLJRHWRUQBU-MRXNPFEDSA-N 371.506 3.716 0 40 FHAB CC(C)(CO)CCCNC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 75094229 CICQNTMCFKAYHJ-OAHLLOKOSA-N 359.470 3.516 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1C 78579770 DFMUIVUKWZSWRM-INIZCTEOSA-N 365.433 3.779 0 40 FHAB CC(C)C[C@H](CO)NC(=O)Nc1ccc(N2CCc3sccc3C2)cc1 78772308 UKGMUCORFDOCNI-QGZVFWFLSA-N 373.522 3.839 0 40 FHAB Cc1ccc([C@H](C)N(C)C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)s1 84205246 OXTZRMUHMBSROZ-LBPRGKRZSA-N 358.442 3.918 0 40 FHAB O=C([C@@H]1CC(c2ccccc2)=NO1)N1CCCc2cccc(OC(F)F)c21 84525284 PMRQPHVGSSFVSI-KRWDZBQOSA-N 372.371 3.760 0 40 FHAB O=C(c1[nH]nc(C2CC2)c1Cl)N1CCn2cccc2[C@H]1c1ccccc1 88579124 FCLQNJQMBHHNHM-LJQANCHMSA-N 366.852 3.987 0 40 FHAB O=C(c1ccc2c(n1)CCCC2)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 89800410 DWQVOUKJDBDNNY-LJQANCHMSA-N 364.445 3.709 0 40 FHAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)cc1 91690220 UVOWPAMXKSHZQY-SFHVURJKSA-N 352.434 3.982 0 40 FHAB Cc1cccc(CNC(=O)c2cc(C(C)C)nc(N3CCCCC3)n2)c1 96101106 ISKHQUYWXZKBJU-UHFFFAOYSA-N 352.482 3.829 0 40 FHAB Cc1cccc(CN2C[C@H]3CCC[C@@]3(COCc3csc(C)n3)C2)n1 96109272 ZEADYKZUMWXDTO-XLIONFOSSA-N 357.523 3.974 0 40 FHAB Cc1ccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(NC(=O)c2ccccc2)C3)cc1 100722623 MALZZLMIPMJVAV-WOJBJXKFSA-N 363.461 3.952 0 40 FHAB Cc1cc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)n(-c2ccc(C(F)(F)F)cn2)n1 107047527 BESXOVWHUYJYRY-OBJOEFQTSA-N 364.371 3.969 0 40 FHAB CSc1ccc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)cc1 195750298 RYZFIMULZWBWNF-UHFFFAOYSA-N 361.410 3.906 0 40 FHAB Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(-n3ccnc3)cc2)c1 222652667 HHBRSPCTTRUORG-UHFFFAOYSA-N 363.461 3.999 0 40 FHAB CCCC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NCC 223452253 KMRYLQKUZJAGRQ-HXUWFJFHSA-N 370.468 3.702 0 40 FHAB COc1ccccc1CN(C)S(=O)(=O)c1ccc(OC)c(C(C)C)c1 223702587 BUJBBTJJKLVIOC-UHFFFAOYSA-N 363.479 3.648 0 40 FHAB O=C(NCCOCc1ccccc1)c1ccc(CN2CCCCC2)cc1 224095875 HYPQGFFUDHJSOX-UHFFFAOYSA-N 352.478 3.619 0 40 FHAB COC(=O)c1ccc(C)c(NC(=S)NCCCc2ccc(OC)cc2)c1 225556581 GKBYIHJRGCYECF-UHFFFAOYSA-N 372.490 3.709 0 40 FHAB O=C(NCC1CCN([C@H]2CCSC2)CC1)c1cccc2ccccc12 225569158 JIWXJCMODJLBMH-SFHVURJKSA-N 354.519 3.787 0 40 FHAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCN(CC)CC)cc1 225730004 ITSCJCVZTSILQN-FQEVSTJZSA-N 350.503 3.941 0 40 FHAB CCOc1ccccc1NC(=O)Cn1ccc(=O)c2ccc(Cl)cc21 225734826 GBWPRLWGLJRMBY-UHFFFAOYSA-N 356.809 3.692 0 40 FHAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC)c(C(=O)OC)c1 225824427 NOWVULDESTXOIN-LJQANCHMSA-N 351.443 3.796 0 40 FHAB Fc1cccnc1OCC[C@@H]1CCOC12CCN(Cc1ccco1)CC2 247495312 CWYMGKCYBVWHNS-MRXNPFEDSA-N 360.429 3.654 0 40 FHAB Cc1nn([C@H](C)CC(=O)N2CCN(C)C[C@H]2c2ccccc2)c(C)c1Cl 248150820 UCWFHORWHZZXIU-KDOFPFPSSA-N 374.916 3.620 0 40 FHAB CC(C)CN1CCC[C@@](C[C@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)O)C1 248220462 HQIOPBLAUQXDNJ-XLIONFOSSA-N 362.445 3.532 0 40 FHAB O=C(c1ncccn1)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257315031 UZPMWSCFEWIRSE-INIZCTEOSA-N 368.824 3.686 0 40 FHAB Cc1nc2c(n1C(C)C)CN(CC1CC1)CC21CCN(CC(C)C)CC1 306132533 LLOPULPCSFDWSV-UHFFFAOYSA-N 358.574 3.988 0 40 FHAB O=C(Cn1nc(COc2ccccc2)oc1=S)Nc1ccc(F)cc1 409150767 DRUTURTXZQXDNO-UHFFFAOYSA-N 359.382 3.562 0 40 FHAB Cc1cccc(CO[C@H]2CN(C(=O)CCC(C)C)Cc3cccn3C2)n1 575403561 GXSYFSFXXWBLPC-HXUWFJFHSA-N 355.482 3.555 0 40 FHAB CCN(Cc1ccc(C(=O)O)c(Cl)c1)C[C@@H]1COc2ccccc2O1 576405334 KKVIGVYZDHCTJO-CQSZACIVSA-N 361.825 3.700 0 40 FHAB Cc1noc(C)c1CCC(=O)N1CCOc2c1cccc2C(F)(F)F 653930968 WXZJIUWPPKETBD-UHFFFAOYSA-N 354.328 3.668 0 40 FHAB O=C(Nc1ccc(Oc2cccnc2)cc1)c1cncc(N2CCCC2)n1 1584293196 DDTDFZIBVFVJAI-UHFFFAOYSA-N 361.405 3.516 0 40 FHAB CCCCOc1ccc(C(=O)NCc2cc(-c3ccncc3)nn2C)cc1 1775966623 PVYXIYLNLIHBKN-UHFFFAOYSA-N 364.449 3.591 0 40 FHAB Brc1cnc(OC[C@@H]2CCCN(Cc3ccccc3)C2)nc1 1775995792 IXVWYEJPXPVEJA-OAHLLOKOSA-N 362.271 3.530 0 40 FHAB Cc1sc2ncnc(Nc3nc(-c4c[nH]c(C(N)=O)c4)cs3)c2c1C 53087456 VIFNENSTFDXLTB-UHFFFAOYSA-N 370.463 3.602 0 40 FHAB Cc1sc2ncn3c(SCC(=O)Nc4ccccc4)nnc3c2c1C 870472 OFYPVQLWRWHGCX-UHFFFAOYSA-N 369.475 3.687 0 40 FHAB COc1ccc(-c2nc3c(C)cccn3c2NC[C@@H]2CCCO2)c(OC)c1 883886 OBLLRZJGFZSMQM-INIZCTEOSA-N 367.449 3.918 0 40 FHAB Cc1cc(C)cc(OCC(=O)N2N=C(C(F)(F)F)C[C@@]2(O)C(C)(C)C)c1 910659 OUPSMYKYXZIEPS-QGZVFWFLSA-N 372.387 3.568 0 40 FHAB CC(C)(C)NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 918084 IMOHJUXJQWJCDG-UHFFFAOYSA-N 352.316 3.536 0 40 FHAB CCNC(=S)N(Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O 1224250 FKUROMOKCHMNIL-UHFFFAOYSA-N 365.502 3.733 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1 1379547 ZPGNJKMGOXFMMH-KRWDZBQOSA-N 353.422 3.720 0 40 FHAB CC(=O)NC[C@H]1C[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 1574154 OONPIGWLFRYZLN-CGMLFGJQSA-N 371.906 3.974 0 40 FHAB Cc1ccnc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c1 41817822 CVNOISQFNIYTLA-DQYWGJDHSA-N 367.493 3.536 0 40 FHAB Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(Br)s2)cc1 13938181 DJVJUICKOFLRNW-JTQLQIEISA-N 360.298 3.859 0 40 FHAB O=C(COC(=O)Cc1c(F)cccc1Cl)NCc1ccc(Cl)cc1 4966465 GZBAZZIWNACBJD-UHFFFAOYSA-N 370.207 3.535 0 40 FHAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cc(C)ccc2C)NC(=S)N1 6079190 GNPYMIZGQAUKTM-SFHVURJKSA-N 369.465 3.874 0 40 FHAB COc1cc(SC)ccc1C(=O)OCc1nc(-c2ccccc2)no1 6617477 CDFDMIALBTUQFI-UHFFFAOYSA-N 356.403 3.824 0 40 FHAB Cc1ccccc1CSCC(=O)N1CCN(c2ccccc2F)CC1 6919882 DNMBFSGNBGZOQG-UHFFFAOYSA-N 358.482 3.716 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(F)cc2F)c(Br)c1 7057110 AHSBYOWKYDNGMI-UHFFFAOYSA-N 362.195 3.837 0 40 FHAB CCN(CC)Cc1ccc(CNC(=O)COc2ccccc2Cl)cc1 7828562 RROJCJSACKWSEO-UHFFFAOYSA-N 360.885 3.877 0 40 FHAB CC[C@H]1CCCCN1CCCNS(=O)(=O)c1c(C)cc(C)cc1C 10544199 LAAWTQWCUMQMCT-SFHVURJKSA-N 352.544 3.545 0 40 FHAB O=C(COc1cccc(Oc2ccccn2)c1)NCc1ccc(F)cc1 24443321 OWVUDGKBYNJEHG-UHFFFAOYSA-N 352.365 3.708 0 40 FHAB Cc1ccc(C(C)C)c(OCC(=O)NCc2nc3ccccc3n2C)c1 12538774 BYPFAJOAPRRCNA-UHFFFAOYSA-N 351.450 3.700 0 40 FHAB CC(C)Oc1ccc(CNC(=O)c2cccc(N3CCCC3=O)c2)cc1 58702452 LFMUGTJKWRYAEY-UHFFFAOYSA-N 352.434 3.531 0 40 FHAB O=c1c2cc(Br)ccc2nc(-c2ccc(Cl)cc2)n1O 1382208 OENFCAWDDXYZBR-UHFFFAOYSA-N 351.587 3.717 0 40 FHAB Cc1nc(-c2ccc(CNC(=O)CCc3nc4ccccc4[nH]3)o2)cs1 12548187 MYCDIJPAIRTPOB-UHFFFAOYSA-N 366.446 3.837 0 40 FHAB COc1cc(CC(=O)N(C2CC2)[C@@H](C)c2ccco2)cc(OC)c1OC 56181520 TVNWYYVKTPVMGM-ZDUSSCGKSA-N 359.422 3.600 0 40 FHAB COC(=O)c1c(C)nsc1NC(=O)N(C)[C@H]1CCCc2ccccc21 56320636 LQWDZFMMZUDDII-AWEZNQCLSA-N 359.451 3.779 0 40 FHAB COC(=O)c1ccc2c(c1)[C@@H]1C[C@@](C)(O2)N(c2cccc(C)c2)C(=S)N1 101170294 QCLIBIYXPHWCSH-OXJNMPFZSA-N 368.458 3.716 0 40 FHAB Cn1ccc(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)cc1=O 44610915 UTDDPPCBBNGAMH-NRFANRHFSA-N 358.397 3.651 0 40 FHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN[C@H](C)c1ccccc1Cl 58048064 QYCYAQCWQJSZGX-UONOGXRCSA-N 371.868 3.755 0 40 FHAB CC(=O)Nc1cccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c1 12739494 NNCIAVXMMFKEPE-UHFFFAOYSA-N 374.824 3.641 0 40 FHAB O=C(NC1CC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 44900934 BRSMAAPEGKEOAQ-LJQANCHMSA-N 352.478 3.760 0 40 FHAB NC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 10384020 KKOOGKPIFFBKTN-OAHLLOKOSA-N 366.446 3.764 0 40 FHAB O=C(OCc1csc(C2CCCC2)n1)[C@@H]1CCCCN1c1ncccn1 58309638 GGTQYOITSYYVQE-INIZCTEOSA-N 372.494 3.693 0 40 FHAB CCCc1nnc(S)n1CC(=O)N[C@H](c1cccs1)C1CCCC1 36390535 MKCCEBVNRHZMGK-INIZCTEOSA-N 364.540 3.629 0 40 FHAB CCOc1ccc([C@H](C)NS(=O)(=O)Cc2cccc(Cl)c2)cc1 20484452 FSOLLZRUYVPSEL-ZDUSSCGKSA-N 353.871 3.919 0 40 FHAB COC(=O)c1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 36623700 JIOBYIVORGPMSD-UHFFFAOYSA-N 364.401 3.634 0 40 FHAB C[C@@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21 2501818 HNJKBZFXEQRSDP-BXKMTCNYSA-N 371.436 3.940 0 40 FHAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[C@H](O)c1ccccc1)C2=O 12863339 BHXKWEHEEATETC-BATSVXPKSA-N 358.482 3.637 0 40 FHAB Cc1ccc(C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1 12809563 JZGPIYCDNDUZHE-UHFFFAOYSA-N 358.441 3.746 0 40 FHAB COCc1cccc(CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 46157113 FSLISJPVOHPRFB-UHFFFAOYSA-N 373.884 3.518 0 40 FHAB O=C(Nc1ccccc1)c1cc(N2CCCCS2(=O)=O)ccc1Cl 11999250 IOWGWUNCKHGBBS-UHFFFAOYSA-N 364.854 3.522 0 40 FHAB CC(C)NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 3487784 LJIMJROOWAJADG-UHFFFAOYSA-N 358.492 3.613 0 40 FHAB NC(=O)[C@H](OC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 13005513 NJJFUAPFNLSVFC-OAQYLSRUSA-N 359.425 3.855 0 40 FHAB CN(Cc1ccc(Cl)c(Cl)c1)Cn1c(CO)nc2ccccc21 13062729 HDLIOHGJTYPSLC-UHFFFAOYSA-N 350.249 3.925 0 40 FHAB FC(F)(F)c1ccc(-c2c[nH]c([C@@H]3COCCN3CC3CC3)n2)cc1 67898585 FDNXGSRNUUJFJX-INIZCTEOSA-N 351.372 3.879 0 40 FHAB biogenic,in-vitro O=C(COC(=O)c1ccc(Cl)cc1Cl)NCc1ccc(F)cc1 6057050 DTNYCUMQOBOZLB-UHFFFAOYSA-N 356.180 3.606 0 40 FHAB CCOC(=O)c1c(C)nc(Nc2nc(C)c3cc(CC)ccc3n2)nc1C 20634094 FNPRJVSGOYWUKB-UHFFFAOYSA-N 365.437 3.828 0 40 FHAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccccc1SC)cn2C 22237357 WAHUJSVTYWIHPA-UHFFFAOYSA-N 368.458 3.911 0 40 FHAB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1cc(Cl)nc(Cl)c1 65566570 OYYZSKOZOUTPER-ZWNOBZJWSA-N 350.249 3.756 0 40 FHAB Cc1cc(NS(=O)(=O)c2ccccc2Cl)ccc1N1CCCC1=O 5329320 RJDXIQPXMYLRRY-UHFFFAOYSA-N 364.854 3.576 0 40 FHAB O=C(CSc1nnc(-c2cccs2)o1)NCc1ccc(Cl)cc1 6462891 OJMMZKDYTNWBLP-UHFFFAOYSA-N 365.867 3.860 0 40 FHAB O=C(CCn1c(=O)oc2ccccc21)Nc1nc(-c2cccs2)cs1 14185753 LXTOPKFEROQHTC-UHFFFAOYSA-N 371.443 3.808 0 40 FHAB CSc1nn(CN(C)CC(=O)Nc2ccc(Cl)cc2)c(=S)s1 14166839 IOMHCVJLFIEHCF-UHFFFAOYSA-N 374.944 3.577 0 40 FHAB Cc1cccc(NC(=O)CN2CCc3cc4c(cc3[C@H]2C)OCCCO4)c1 5426032 TUVIKSUZLKLDRJ-MRXNPFEDSA-N 366.461 3.714 0 40 FHAB Cc1nc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3cccs3)cc2s1 6560714 LTACXDOLZBGGQK-AWEZNQCLSA-N 371.487 3.910 0 40 FHAB CC[C@H](CO)Nc1nc(SC)nc2sc3c(c12)C[C@](C)(CC)OC3 5501443 SIHNYODPPLYJLM-QGHHPUGFSA-N 367.540 3.837 0 40 FHAB CNc1oc(/C=C/c2ccccc2OC)nc1S(=O)(=O)c1ccccc1 6670307 RLDJOJBUTRRRJB-OUKQBFOZSA-N 370.430 3.728 0 40 FHAB Cc1csc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)n1 7039090 XJKIURLCMDLSEE-UHFFFAOYSA-N 357.435 3.817 0 40 FHAB CC(C)c1ccc(-n2nnnc2SCc2nnc(-c3ccco3)o2)cc1 7559966 WZDXCBSQMVOZIY-UHFFFAOYSA-N 368.422 3.721 0 40 FHAB C[C@@H](Sc1ccccc1Br)C(=O)NC(=O)NC1CCCC1 16549054 NSAWKBNUSXPWQQ-SNVBAGLBSA-N 371.300 3.698 0 40 FHAB COc1cccc([C@H](NC(=O)Nc2cccc(C)c2)c2nccn2C)c1 9314245 UWBMWWOHJJVJOA-SFHVURJKSA-N 350.422 3.648 0 40 FHAB Cc1nc(-c2cc(C(=O)N[C@H](C)c3nc4ccccc4[nH]3)n(C)c2)cs1 9337962 PCJVCAFUBBNIPQ-LLVKDONJSA-N 365.462 3.824 0 40 FHAB CC(C)(C)OC(=O)NCCCC(=O)NCc1ccc(Cl)cc1Cl 8133836 VDMQEEVUJFTFSA-UHFFFAOYSA-N 361.269 3.915 0 40 FHAB Cc1ccc(O)c(NC(=O)CSc2nnc(-c3ccccc3C)n2C)c1 9426837 JOCBIOHVCUEFHF-UHFFFAOYSA-N 368.462 3.535 0 40 FHAB O=C(Cc1ccccc1F)Nc1cc(C(F)(F)F)ccc1-n1cncn1 8515474 ZMQUNKMTBGSSGZ-UHFFFAOYSA-N 364.302 3.606 0 40 FHAB O=C(NCC[C@@H](c1ccc(F)cc1)c1ccco1)c1n[nH]c2c1CCCC2 8740535 YVFGUTCMMBIITQ-INIZCTEOSA-N 367.424 3.973 0 40 FHAB CCCCCCn1c(S[C@H]2CCCCNC2=O)nc2ccccc2c1=O 9807181 JNNRKSXIIQBWSI-KRWDZBQOSA-N 373.522 3.738 0 40 FHAB Cc1cccc(C(=O)c2ccccc2CN2CCC3(CC2)OCCO3)c1C 85651567 MAESXVMBWIVHIL-UHFFFAOYSA-N 365.473 3.873 0 40 FHAB Cc1cccc(N2C[C@H](C(=O)N[C@H](C)CCc3ccccc3)CC2=O)c1C 28198437 PXKMYPDUHIBERF-YLJYHZDGSA-N 364.489 3.794 0 40 FHAB O=C(CCn1c(S)nnc1-c1cccs1)NC1CCCCCC1 9912419 IKGGCNANRYIBPR-UHFFFAOYSA-N 350.513 3.524 0 40 FHAB COc1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1OCc1ccccc1 9953469 DDHNYUKEVRNSML-HZPDHXFCSA-N 355.434 3.524 0 40 FHAB NC(=O)c1cccc(CNC(=O)Nc2ccc(F)cc2OC2CCCC2)c1 89774455 HQPIYLGKZHRLGA-UHFFFAOYSA-N 371.412 3.568 0 40 FHAB Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccsc2)c1C 25014324 VOVZPBIJEYQBBL-KRWDZBQOSA-N 372.490 3.625 0 40 FHAB COc1ccc(SCC(=O)NCCCc2ccc(F)cc2)cc1OC 22517712 VNZZRRNVLBYFMJ-UHFFFAOYSA-N 363.454 3.684 0 40 FHAB COc1cc2ccccc2cc1C(=O)OCc1nc2ccsc2c(=O)[nH]1 21945675 JWMNNAGSSDCGKQ-UHFFFAOYSA-N 366.398 3.503 0 40 FHAB Cc1nc(N2CCCCC2)ccc1C(=O)CCCNC(=O)OC(C)(C)C 72219264 AXYGPICFRSBSHR-UHFFFAOYSA-N 361.486 3.868 0 40 FHAB Cc1ccc(-c2noc(CNc3ccc(C(=O)N4CCCC4)cc3)n2)cc1 37150111 HPBFCQZXNMFUIY-UHFFFAOYSA-N 362.433 3.893 0 40 FHAB O=C(CCc1ccccc1)NC1CCN(C(=O)CC2CCCCC2)CC1 32924907 MZHCEBQGRYQUJM-UHFFFAOYSA-N 356.510 3.697 0 40 FHAB O=C(Cc1ccccc1C(=O)O)Nc1cc(-c2ccc(Cl)cc2)n[nH]1 72401534 XFBCKGYDONFZTG-UHFFFAOYSA-N 355.781 3.610 0 40 FHAB Cc1ccc(C)c2sc(N(C)CC(=O)N3CCc4ccccc4C3)nc12 70973791 ZLAGCYVMFBTWAQ-UHFFFAOYSA-N 365.502 3.934 0 40 FHAB CCN(C)c1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72212754 WLKLOTSUTGXEEV-IBGZPJMESA-N 373.522 3.762 0 40 FHAB Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)CCc2ccccc2)n1 72378532 QJIGPIGNKWKOCP-HXUWFJFHSA-N 360.461 3.872 0 40 FHAB O=C(CSCc1ccccc1Cl)NC[C@@H]1COc2ccccc2O1 225236690 HVUZTLHTDMCLGB-CQSZACIVSA-N 363.866 3.529 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 224706970 DGOPFQYCZDYXJB-LJQANCHMSA-N 366.505 3.871 0 40 FHAB FC(F)(F)c1cc(N2CCCCC2)nc(NC(=S)NC2CCCC2)n1 226006895 IGEBPTLZEGHKOE-UHFFFAOYSA-N 373.448 3.715 0 40 FHAB CCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c(C)n1 225874254 YPESLYHBHNFAJO-UHFFFAOYSA-N 358.413 3.615 0 40 FHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1F 223462266 SQVYXULDMDLHMJ-AWEZNQCLSA-N 351.443 3.799 0 40 FHAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)c1 224550482 DEFKUGWFTJQPIB-RTBURBONSA-N 364.474 3.904 0 40 FHAB O=C(COc1cccc(C(F)(F)F)c1)NCCOc1ccccc1Cl 225814758 YMSUUDKXNANMCT-UHFFFAOYSA-N 373.758 3.933 0 40 FHAB CCCC[C@H](CC)CNS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 225120122 CMCPVWSNHHMWRE-LBPRGKRZSA-N 361.891 3.621 0 40 FHAB S=C(NCc1nc(-c2cccs2)no1)Nc1ccc(Cl)cc1 225826662 DKDNCHSPDAQGNQ-UHFFFAOYSA-N 350.856 3.938 0 40 FHAB CCOc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1O 222576555 OIWNYCZLOPZXEH-RZAIGCCYSA-N 355.463 3.775 0 40 FHAB CNC(=O)C[C@H]1CC2(CCN(Cc3ccc(C)o3)CC2)Oc2ccccc21 96053253 PMGJYDFPGRVGJS-KRWDZBQOSA-N 368.477 3.625 0 40 FHAB CCN1C(=O)CC[C@@H](C(=O)NCc2ccc(F)cc2)[C@@H]1c1ccc(C)cc1 257341130 ZIXMMELBCLFTMW-CTNGQTDRSA-N 368.452 3.750 0 40 FHAB O=C(OCc1cc(Cl)cc2c1OCOC2)c1cnc2ccccc2n1 24866281 XWMSCPRJJFWFON-UHFFFAOYSA-N 356.765 3.507 0 40 FHAB CC(C)c1cc(C(=O)N2C[C@H]3[C@@H](Oc4cccc(F)c4)CC[C@H]3C2)n(C)n1 257341655 ZLICHZCPUFKXEZ-NQYLQCIDSA-N 371.456 3.612 0 40 FHAB CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 25091253 YPQJEHBIUUOYGI-IAGOWNOFSA-N 356.466 3.675 0 40 FHAB COc1ccc(CNC(=S)Nc2ccc(N3CCC[C@H](C)C3)nc2)cc1 260692651 YCJUXYLUPODJMM-HNNXBMFYSA-N 370.522 3.813 0 40 FHAB CO[C@@H]1CCC[C@@H](C(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)C1 629620997 HNMMZBOHXOEMFG-DGCLKSJQSA-N 352.837 3.824 0 40 FHAB O=C(c1cnc(-c2c(F)cccc2F)s1)N1CCC[C@H](c2cc[nH]n2)C1 651185315 JHUDETTUDCWQNK-NSHDSACASA-N 374.416 3.831 0 40 FHAB O=C(NC1(c2cccs2)CCOCC1)c1ccc(Br)o1 390826819 CBENZSYVRISYQB-UHFFFAOYSA-N 356.241 3.539 0 40 FHAB COC[C@@H]1CN(Cc2ccco2)CC12CCN(Cc1ccsc1)CC2 585103941 UIPNZSRBUHNLMM-SFHVURJKSA-N 360.523 3.702 0 40 FHAB COC(=O)c1ccc(CN2CCC(COCc3ccc(F)cc3)CC2)o1 75156569 FLBYHFPPOAMGAW-UHFFFAOYSA-N 361.413 3.634 0 40 FHAB O=C1CO[C@]2(CCCN(Cc3ccsc3)CC2)CN1c1ccc(F)cc1 1615123481 RZQBCGYHNXISOB-FQEVSTJZSA-N 374.481 3.675 0 40 FHAB FC(F)(F)c1cc([C@@H]2CN(C[C@H]3CCOC3)C[C@H]2c2ccccc2)n[nH]1 12129194 OAGWJYMYJUEBIF-VNQPRFMTSA-N 365.399 3.648 0 40 FHAB Cc1sc2nc(C)n(C3CCN(C(=O)C(C)(C)C)CC3)c(=O)c2c1C 12145418 MDJCYDOFBBFRDX-UHFFFAOYSA-N 361.511 3.593 0 40 FHAB CC(C)(C)c1ccc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1 12939688 KHWGNAUISFDQKC-GOSISDBHSA-N 372.534 3.849 0 40 FHAB O=C1/C(=C/c2cccc(Br)c2)NC(=S)N1C1CCCCC1 15260078 YXNLUFYZRDXERN-UVTDQMKNSA-N 365.296 3.839 0 40 FHAB O=C(c1ccncc1)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 19341727 XMPWNNRNTSZWAX-CYBMUJFWSA-N 374.366 3.997 0 40 FHAB Cc1ccc(-c2ccc(C(=O)O)o2)c(NC(=S)NC(=O)C(C)(C)C)c1 226350395 NBSOTEKLKSXYQQ-UHFFFAOYSA-N 360.435 3.812 0 40 FHAB C[C@@H]1Cc2cc([C@H](O)CN3CC=C(c4ccc(F)cc4)CC3)ccc2O1 12361270 JBVMJBKSIHWTQO-QVKFZJNVSA-N 353.437 3.972 0 40 FHAB CC[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)NCc1ccccc1 9746424 YXFVEOLYIQJBEN-INIZCTEOSA-N 370.453 3.798 0 40 FHAB CO[C@]1(COc2ccccc2)CCCN(C(=O)c2cc(F)ccc2F)C1 2037915996 FVEBBSDVGVVWQX-HXUWFJFHSA-N 361.388 3.665 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)NCCc3ccc(Cl)cc3)CC2=O)cc1C 710558 NQPXKBRIBQZBGQ-QGZVFWFLSA-N 370.880 3.669 0 40 FHAB O=C(Nc1c(F)cccc1F)N1CCn2cccc2[C@H]1c1ccncc1 4329914 XGLWWLFJOXRVGB-GOSISDBHSA-N 354.360 3.798 0 40 FHAB COc1ccccc1C(=O)NCCSc1ncc(-c2ccccc2)[nH]1 4315520 ZDNPTLBEYOIMEH-UHFFFAOYSA-N 353.447 3.607 0 40 FHAB Cc1ccc(S(=O)(=O)CC(=O)Nc2nc3cc(C)c(C)cc3s2)cc1 4586154 KCDMGWQEVOVNKH-UHFFFAOYSA-N 374.487 3.634 0 40 FHAB O=C(NCCCN1CCO[C@@H](c2ccccc2)C1)Nc1ccccc1Cl 38572380 SYOUZPKUSUYIBU-LJQANCHMSA-N 373.884 3.925 0 40 FHAB Cc1noc(-c2cccnc2SCC(=O)NCc2cccc(Cl)c2)n1 49407045 TUDDVDSLLJXJAD-UHFFFAOYSA-N 374.853 3.502 0 40 FHAB CCc1nc2ccc(C(=O)NC3CCC(n4cccn4)CC3)cc2s1 618256740 MBPUCWQGVOMEFV-UHFFFAOYSA-N 354.479 3.969 0 40 FHAB CCOCCCNc1ncnc2c1cnn2-c1ccc(Cl)c(Cl)c1 10386630 HMNNZNGGLULRKA-UHFFFAOYSA-N 366.252 3.961 0 40 FHAB Cc1oc(-c2ccccc2)nc1C(=O)N1CCN(C)C[C@H]1c1ccccc1 30030433 GARHTGDIDNTVDI-IBGZPJMESA-N 361.445 3.779 0 40 FHAB COC(=O)C[C@H](NC(=O)c1csc(-c2ccc(C)o2)n1)c1ccccc1 40090263 JIKZFVZBYMSRSM-AWEZNQCLSA-N 370.430 3.746 0 40 FHAB Cc1cc([C@H](C)NC(=O)[C@H](C)NC(=O)/C=C/c2ccccc2)c(C)s1 40080896 OIKCEJDVZGFSIX-BWLFODOESA-N 356.491 3.760 0 40 FHAB COc1ccc(CN(C)C(=O)c2cccc(Nc3ncccn3)c2)cc1F 30559175 HZAWHZQFVWJZOW-UHFFFAOYSA-N 366.396 3.640 0 40 FHAB O=c1cc(-c2cccnc2)nc2n(Cc3ccccc3F)c3ccccc3n12 40485142 KXNPHWCIZRUYLW-UHFFFAOYSA-N 370.387 3.899 0 40 FHAB COc1cccc([C@@H]2CC(=O)Nc3n[nH]cc32)c1OCc1ccccc1F 20716929 ISVNPWUYDUUFRL-AWEZNQCLSA-N 367.380 3.611 0 40 FHAB COc1ccc(-c2nnc(SCCCO)n2CCc2ccccc2)cc1 32638425 PXHXXFIVYXLMRS-UHFFFAOYSA-N 369.490 3.671 0 40 FHAB Cn1ccnc1C(=O)c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 32721708 PULWQCIWEFVRLU-UHFFFAOYSA-N 372.428 3.704 0 40 FHAB C[C@H](NC(=O)[C@H](C)S(=O)(=O)Cc1ccc(Cl)s1)c1ccccc1 32929864 SGLPJJGMFZBDSG-RYUDHWBXSA-N 371.911 3.582 0 40 FHAB O=c1cc(CN2CCc3ccccc3C2)nc2scc(-c3ccccc3)n12 21821786 BMOXWXUZSJIAEY-UHFFFAOYSA-N 373.481 3.981 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3C)n2C)c1 648259 OLTPNIWGOTWSQI-UHFFFAOYSA-N 352.463 3.830 0 40 FHAB O=C1CN(Cc2ccc(C(=O)Nc3ccccc3)cc2)c2ccccc2N1 8710801 VZCOIKZWMWWKJM-UHFFFAOYSA-N 357.413 3.898 0 40 FHAB O=C(Nc1ccnn1Cc1cccs1)c1cncn1-c1ccc(F)cc1 8778352 GVEVSZVYZHJORX-UHFFFAOYSA-N 367.409 3.570 0 40 FHAB COc1ccc(C(=O)COC(=O)CSc2nc3ccccc3s2)cc1 1470019 SUENRQXVJFVXKW-UHFFFAOYSA-N 373.455 3.823 0 40 FHAB CN(C(=O)c1ccc(Cl)cc1)C(=S)N1CCN(c2ccccc2)CC1 1635183 WAAPLZPLSTWVIN-UHFFFAOYSA-N 373.909 3.519 0 40 FHAB CCC[C@H]1[C@H](C)CCCN1c1ncnc2c1c(Br)nn2C 79017576 KEHZNJCYPMHRAC-MNOVXSKESA-N 352.280 3.531 0 40 FHAB CC(C)n1cc(C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2c1=O 79193347 NRSWDJUERYOIFS-UHFFFAOYSA-N 350.374 3.563 0 40 FHAB biogenic COc1ccc(/C=C2/N=C(c3cccs3)OC2=O)cc1OC(=O)C(C)C 673483 OYVXLCLLRQMZHQ-UKTHLTGXSA-N 371.414 3.663 0 40 FHAB C[C@@H](Sc1nncn1C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3221447 SHOJPICCUPBPSD-ZCFIWIBFSA-N 365.673 3.895 0 40 FHAB C[C@@H](NC(=O)CCc1nc(-c2cccs2)no1)c1ccc(F)cc1F 22616574 MWPKGSWUTFVQTK-SNVBAGLBSA-N 363.389 3.886 0 40 FHAB COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2)n1C 4130213 UTDGOWWFMJGKRS-CYBMUJFWSA-N 368.462 3.610 0 40 FHAB CCn1c(COc2ccc(Cl)cc2)nnc1SCCN1CCCC1 4936945 GFDOECVVCMFQJN-UHFFFAOYSA-N 366.918 3.718 0 40 FHAB C[C@@H](NS(=O)(=O)c1ccccc1Cl)c1ccc(-n2ccnc2)cc1 7050226 HCODBMMILPFEIN-CYBMUJFWSA-N 361.854 3.565 0 40 FHAB COc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 7247290 ZFNDXBZFOQRBLS-UHFFFAOYSA-N 360.413 3.878 0 40 FHAB COc1ccc(/C=C/C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 943609 YYIXAUFSQDORQW-KPKJPENVSA-N 362.381 3.909 0 40 FHAB CC(C)[C@@H](CNC(=O)c1cc(-c2cccnc2)nc2ccccc12)N(C)C 12540572 ILWAJFJKFLROOG-OAQYLSRUSA-N 362.477 3.613 0 40 FHAB CCc1c(C(=O)Nc2ccc(F)c(NC(C)=O)c2)cnn1-c1ccccc1 24459338 FMMMYXSBMQYZKO-UHFFFAOYSA-N 366.396 3.785 0 40 FHAB O=c1[nH]c(=O)n(C2CCCCC2)c2nccc(-c3ccccc3Cl)c12 9936587 XWSWPMRWHFSCFD-UHFFFAOYSA-N 355.825 3.910 0 40 FHAB CCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(CC)cc2)cc1 61997313 QKJJRGTWBVRBGK-FQEVSTJZSA-N 366.461 3.891 0 40 FHAB CC[C@@H](NC(=O)CSCc1cccnc1)c1nc(-c2ccccc2)c[nH]1 58227680 CCCNUZIEZFACOO-QGZVFWFLSA-N 366.490 3.972 0 40 FHAB C[C@@H]1CCCCN1Cc1ccccc1CNc1cncc(-n2cccn2)n1 48279141 QKBVTQMPYTWGIH-QGZVFWFLSA-N 362.481 3.649 0 40 FHAB CC(C)CN1CCO[C@@H](CNC(=O)c2sccc2-c2ccccc2)C1 28011657 YLHMMXAFQXWODP-KRWDZBQOSA-N 358.507 3.502 0 40 FHAB Cc1oc(-c2cccs2)nc1C(=O)NCc1ccc(-n2ccnc2)cc1 58420844 VJAVTBMDRIQSEB-UHFFFAOYSA-N 364.430 3.827 0 40 FHAB C[C@@H](Oc1ccccc1Cl)C(=O)NC1CCN(CC2CCCC2)CC1 58406579 PLNCYSJHWFHWBA-OAHLLOKOSA-N 364.917 3.878 0 40 FHAB Cc1cc(-c2cc(C(=O)NO[C@@H]3CCCCO3)c3c(C)noc3n2)c(C)o1 58429713 ICZKQHYPZFXZPH-MRXNPFEDSA-N 371.393 3.596 0 40 FHAB Cc1cc(C(=O)COc2ccc(C(N)=O)cc2)c(C)n1Cc1ccccc1 12796687 BVHONABPMWKGAW-UHFFFAOYSA-N 362.429 3.514 0 40 FHAB CCOC(=O)c1sc(C)c2c1N[C@@H](c1ccc(Cl)cc1)NC2=O 2323426 GCWBXEZDJQNRGP-CQSZACIVSA-N 350.827 3.741 0 40 FHAB aggregator COc1cc(OC)c(N[C@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1Cl 12749366 ACIDWOGTHYPIRS-FRRDWIJNSA-N 354.878 3.662 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1CNCCN1CCc2ccccc2C1 28925236 RWQRZWNPOUJHJM-UHFFFAOYSA-N 374.532 3.696 0 40 FHAB CC(C)(C)c1nc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)cs1 29719091 XYBUSSZVFFSSQF-UHFFFAOYSA-N 361.486 3.538 0 40 FHAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1CCOc1ccc(Cl)cc1 2619953 HJOLRZUKCQEGME-HXUWFJFHSA-N 370.836 3.502 0 40 FHAB CCN(CC(=O)NC(C)C)Cc1csc(-c2ccccc2Cl)n1 3419616 DYSUJNGEXKGCDO-UHFFFAOYSA-N 351.903 3.810 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 12915988 OPCKAEVLLBPMJH-LBPRGKRZSA-N 358.825 3.638 0 40 FHAB CCOc1ccc(C(F)(F)F)cc1NCc1cc(=O)n2ccsc2n1 72037322 UANCCDQEZOPAQC-UHFFFAOYSA-N 369.368 3.786 0 40 FHAB CCc1[nH]c(C(=O)N2CCCCC[C@@H]2c2ccncc2)c(C)c1C(=O)OC 49764548 DRBMUZBJENKPSQ-QGZVFWFLSA-N 369.465 3.825 0 40 FHAB C[S@@](=O)Cc1cccc(C(=O)Nc2nc3cc(F)c(F)cc3s2)c1 65490913 RYUYDOPDPMVMHD-DEOSSOPVSA-N 366.414 3.705 0 40 FHAB COc1ccc2c(CC(=O)Nc3ccc4c(c3)CCN4C(C)=O)coc2c1 14137038 QBRGJJSBLWBXGF-UHFFFAOYSA-N 364.401 3.532 0 40 FHAB C[C@@H](NC(=O)c1ccc(NC(N)=O)cc1)c1ccc(Cl)cc1Cl 14387271 UWMXELVFJZKEGY-SECBINFHSA-N 352.221 3.975 0 40 FHAB COc1ccc(NC(=O)CCn2c(-c3ccc(C)cc3)n[nH]c2=S)cc1 15525238 YSMAHWCDXKNCRE-UHFFFAOYSA-N 368.462 3.954 0 40 FHAB COc1cccc([C@H]2C[C@H](c3ccc(SC)cc3)n3nnnc3N2)c1 15866428 ZZYUCVTWPFTBBF-IAGOWNOFSA-N 353.451 3.550 0 40 FHAB Cc1ccnc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 9465081 VLKCHXHQXRUZOV-UHFFFAOYSA-N 350.749 3.863 0 40 FHAB COc1ccc(COC(=O)/C=C/c2ccc(Br)o2)cc1F 7814549 UZNUSPABAVKXKQ-QPJJXVBHSA-N 355.159 3.946 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cc1noc2ccccc12 7825028 CDGVDHJAEQYEOS-UHFFFAOYSA-N 374.444 3.548 0 40 FHAB COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cn1 8077914 HSWVHPDKMNFOCD-UHFFFAOYSA-N 371.400 3.590 0 40 FHAB O=C(COc1ccccc1Cl)Nc1ccc(OC[C@@H]2CCCO2)cc1 8160746 CGDMEDWEUJSSRN-INIZCTEOSA-N 361.825 3.915 0 40 FHAB CN(Cc1cccc(F)c1)C(=O)CN1CCC[C@@H]1CCc1ccccc1 70016933 HPLQZDJLGFGACK-OAQYLSRUSA-N 354.469 3.881 0 40 FHAB Cc1ccc(-c2csc(NC(=O)C[C@@H](C)CC(=O)O)c2C(N)=O)cc1C 17076615 BCDZOBYBJXMTRN-SNVBAGLBSA-N 374.462 3.570 0 40 FHAB C[C@H](Oc1ccc(F)cc1F)c1nn2c(=O)c3ccccc3nc2s1 17074076 MERDECUEDUTQDX-VIFPVBQESA-N 359.357 3.722 0 40 FHAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc2cccnc12 9544552 WQMLFTCFEHBNBS-UHFFFAOYSA-N 374.849 3.691 0 40 FHAB CCOC(=O)/C(=C\c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 17111664 NXALKZJHZLZFTI-FOWTUZBSSA-N 350.823 3.718 0 40 FHAB CCn1nnc2cc(C(=O)O[C@H](C)C(=O)c3ccc(Cl)cc3)ccc21 22091837 VSKALHQZCFOEPM-LLVKDONJSA-N 357.797 3.533 0 40 FHAB COc1ccc(CNC(=O)c2cc(OC)c3cc(F)cc(C)c3n2)cc1 72329499 MXNORRZPWAPSDG-UHFFFAOYSA-N 354.381 3.630 0 40 FHAB CN(C(=O)c1cccc(F)c1)[C@@H]1CCCN(C(=O)c2cccc(F)c2)CC1 89335007 YMKVXHFETWLFOO-LJQANCHMSA-N 372.415 3.732 0 40 FHAB O=C(Nc1cccc(-c2nnco2)c1)N(Cc1cccc(O)c1)C1CC1 89780626 FWZLPOULCLIXIY-UHFFFAOYSA-N 350.378 3.639 0 40 FHAB O=C(CSc1nccn(-c2cccc(Cl)c2)c1=O)c1ccccc1 6915307 WEPJHXXLWRHDRG-UHFFFAOYSA-N 356.834 3.861 0 40 FHAB CC1(C)OC(=O)C([C@@H](c2ccc(F)cc2)c2c[nH]c3ccccc23)C(=O)O1 409115651 KHLWEDLEZWKZEX-KRWDZBQOSA-N 367.376 3.891 0 40 FHAB C[C@@H]1CN(C)C[C@H](c2nc(-c3ccccc3OCc3ccccc3)no2)O1 527542359 BMKZYOUCLFQZEV-DNVCBOLYSA-N 365.433 3.707 0 40 FHAB C[C@@H]1CN(C(=O)c2cccc(C(=O)c3ccco3)c2)c2ccccc2NC1=O 1538621191 STXKMTFMJTZQBW-CQSZACIVSA-N 374.396 3.746 0 40 FHAB CCc1ccccc1NC(=S)N1CCC(NC(=O)c2ccccc2)CC1 35288973 FKPQLJZUWRBHLS-UHFFFAOYSA-N 367.518 3.840 0 40 FHAB CC(=O)Nc1ccc(CN2CCOC[C@H]2c2nc(C(C)(C)C)co2)cc1 72322174 LKVSROYMCBZZRE-KRWDZBQOSA-N 357.454 3.504 0 40 FHAB biogenic,in-vitro COc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c(C)n1 72218115 ZPPFWMNHVGKAIL-SFHVURJKSA-N 360.479 3.623 0 40 FHAB CC1(C)C(=O)Nc2cc(C(=O)NCc3ccccc3OCC3CC3)ccc21 559950703 VJZPJNDSMIYIDT-UHFFFAOYSA-N 364.445 3.635 0 40 FHAB CCCCN(CCCC)S(=O)(=O)c1cc(OC)c(Cl)cc1OC 31904000 DRNZIAXSFUZSPC-UHFFFAOYSA-N 363.907 3.948 0 40 FHAB O=C(c1cscn1)N1CCC[C@@H](c2nccnc2Oc2ccccc2)C1 72362629 YNXCJNYKRIWUGZ-CQSZACIVSA-N 366.446 3.745 0 40 FHAB Cc1cccc(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)c1 225496219 ZKBAHYZSLZDPII-LJQANCHMSA-N 366.505 3.788 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)COc1cccc(Cl)c1 222766492 PUDQOLWBVNVUFR-UHFFFAOYSA-N 360.841 3.887 0 40 FHAB CN(Cc1nc(-c2ccccc2)no1)C(=O)CCc1ccc(Cl)cc1 225312065 FYFDBOVUUSEGBF-UHFFFAOYSA-N 355.825 3.981 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(CN2CCCC2)c1 224624290 KYCBAWYIJNVANN-OAQYLSRUSA-N 370.468 3.895 0 40 FHAB CO[C@@H](CNC(=O)c1ccc(C(F)(F)F)nc1)c1ccc(Cl)s1 225705323 YDRNFCGZIIJHAL-VIFPVBQESA-N 364.776 3.933 0 40 FHAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCN(CC)CC)cc1 225730035 ITSCJCVZTSILQN-HXUWFJFHSA-N 350.503 3.941 0 40 FHAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NC1CCCC1 225379022 YHOPGNOFYKYXKV-AQTBWJFISA-N 354.475 3.886 0 40 FHAB CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1ccc2c(C)cc(O)nc2c1 578277633 ICALILXEXLPCLV-NRFANRHFSA-N 370.449 3.587 0 40 FHAB C[C@@H]1[C@@H](NC(=O)[C@H](C)N2CCO[C@H](c3ccc(F)cc3)C2)CCC[C@H]1C 245237659 PNKNKOHTAWTGAW-MWTROVGWSA-N 362.489 3.528 0 40 FHAB CC[C@@H](CNC(=O)c1csc(-c2ccc(Cl)cc2)c1)C(=O)OC 1299897854 XQBJVUIAUSMRCQ-NSHDSACASA-N 351.855 3.998 0 40 FHAB COc1cc(Cl)cc(C(=O)NCCc2coc(-c3ccccc3)n2)c1 1324220074 ASCBVHIPFALPKX-UHFFFAOYSA-N 356.809 3.976 0 40 FHAB O=C(NCCC1=CCCCC1)C(=O)NCCc1ccc(-c2ccoc2)s1 390831288 QZOZOYNCPXRGDZ-UHFFFAOYSA-N 372.490 3.674 0 40 FHAB Cc1cccc(CO[C@@H]2CN(C(=O)CCC(C)C)Cc3cccn3C2)n1 575403560 GXSYFSFXXWBLPC-FQEVSTJZSA-N 355.482 3.555 0 40 FHAB Cn1cc(NC(=O)NC[C@H]2CCN(C(C)(C)C)C2)c(C2CCCCC2)n1 585101654 GLNNVSPSVDPEPS-OAHLLOKOSA-N 361.534 3.710 0 40 FHAB O=C(NCc1cccc2ccccc12)N1[C@H]2CC[C@H]1CC(n1cncn1)C2 827887021 HLJIAVAHHPUMGY-ROUUACIJSA-N 361.449 3.509 0 40 FHAB CN(C)C(=O)Cc1ccccc1NC(=O)NCC12CC3CC(CC(C3)C1)C2 56547377 QISAEFUSSHWGKK-UHFFFAOYSA-N 369.509 3.655 0 40 FHAB CC(C)(C)c1cnc(CN2CCC(NC(=O)NC3CCCCC3)CC2)o1 55029362 LKSXVWBGHQBGRQ-UHFFFAOYSA-N 362.518 3.568 0 40 FHAB CC(=O)c1c[nH]c(C(=O)Nc2cccc(COC[C@@H]3CCCCO3)c2)c1 57111893 AXUBYYAHTIKZJW-SFHVURJKSA-N 356.422 3.555 0 40 FHAB Brc1cccc(C2(NCc3cscn3)CCOCC2)c1 75610118 USWXZPNPUBRBCC-UHFFFAOYSA-N 353.285 3.701 0 40 FHAB C[C@@H](OC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1ccc(N2CCCC2)cc1 107329647 HLXAYUZZDRXEEX-VSZNYVQBSA-N 370.493 3.983 0 40 FHAB CC[C@@H](C)NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 5043588 UIFUXZCJCAGXFM-GIPNMCIBSA-N 356.348 3.665 0 40 FHAB O=C(c1cccs1)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1 12158283 UMXKIAFXBZHGOV-CYBMUJFWSA-N 371.487 3.511 0 40 FHAB CN(C)CCCNc1ncc(-c2ncc[nH]2)c(-c2ccc(Cl)cc2)n1 12221340 ZXLKJRJEWGOGKV-UHFFFAOYSA-N 356.861 3.551 0 40 FHAB Cc1cc(C)n(CCCC(=O)N2CCc3[nH]c4c(Cl)cccc4c3C2)n1 12325653 HTHRDFALJYOGNZ-UHFFFAOYSA-N 370.884 4.000 0 40 FHAB O=C(NCCCn1c(-c2ccc(F)cc2)cc2cccnc21)[C@H]1CCCO1 12327454 HWNIUGZFMLCWPG-LJQANCHMSA-N 367.424 3.528 0 40 FHAB CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 12931739 ZCPQNEDBJVQTHY-UHFFFAOYSA-N 354.425 3.547 0 40 FHAB CCCCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1cccs1)C3 13634383 FPFYTBLDOMNBHP-LLVKDONJSA-N 358.492 3.991 0 40 FHAB COC(=O)[C@@H]1CC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2C)C1 226318224 DNAHMCTXYOMVMQ-QCYTXABWSA-N 367.489 3.989 0 40 FHAB C[C@H](Sc1nnc(-c2ccco2)o1)C(=O)N[C@H](C)c1ccc(F)cc1 4828545 UJSRANGXRNMVJS-MNOVXSKESA-N 361.398 3.827 0 40 FHAB CCc1ccc(S(=O)(=O)NCCc2csc(-c3ccccc3)n2)cc1 4166872 BQSSSFUCUXRRCP-UHFFFAOYSA-N 372.515 3.894 0 40 FHAB COc1ccc(CCNC(=O)Nc2cn(C)c3ccccc23)cc1OC 5265719 YZHSJXVPWQEAJC-UHFFFAOYSA-N 353.422 3.560 0 40 FHAB CN(C)[C@H](CNC(=O)COc1ccc2ccccc2c1)c1ccc(F)cc1 10329537 AYLFUFIXTHZLAC-OAQYLSRUSA-N 366.436 3.777 0 40 FHAB CCCNC(=O)CSc1nnc(-c2ccccc2)c2sc(C)nc12 12232855 SHNJWSSUJQWNDT-UHFFFAOYSA-N 358.492 3.680 0 40 FHAB O=C(OCc1cc(-c2ccccc2F)on1)C(=O)c1c[nH]c2ccccc12 16838660 PQPAMOIHCLOURG-UHFFFAOYSA-N 364.332 3.888 0 40 FHAB CCOC(=O)c1sc(NC(=O)c2ncc(-c3ccccc3)o2)nc1C 206586464 ISZFDCPWKYUCIQ-UHFFFAOYSA-N 357.391 3.536 0 40 FHAB C[C@@H](O)c1ccc(CCNC(=O)c2ccccc2Br)s1 225687603 KIXDTWSDOJXGHZ-SNVBAGLBSA-N 354.269 3.536 0 40 FHAB COc1ccc2sc(N3CCN(Cc4ccncc4F)[C@@H](C)C3)nc2c1 2298071703 QQNNGEKNDPZJCL-ZDUSSCGKSA-N 372.469 3.550 0 40 FHAB C[C@@](O)(CCc1ccccc1)CNC(=O)c1ccc(OC(F)(F)F)cc1 75170272 CPHJXLSBABPWQD-GOSISDBHSA-N 367.367 3.699 0 40 FHAB O=C1C[C@@H](Nc2ccc3cc[nH]c3c2)C(=O)N1c1cccc(C(F)(F)F)c1 113561880 IITKHHIXKFSYRR-MRXNPFEDSA-N 373.334 3.931 0 40 FHAB Cc1cc2nc(Sc3nnc(NC4CC4)s3)c3ccccc3n2n1 40071528 KGITVIGCAKLUIN-UHFFFAOYSA-N 354.464 3.768 0 40 FHAB CCN(C(=O)[C@H](C)Sc1nc2nc(C)c(C)c(C)n2n1)c1ccccc1 40119175 AFHRXTBAJGDNBA-HNNXBMFYSA-N 369.494 3.583 0 40 FHAB Cc1ccc(OCCNC(=O)c2occc2COc2ccccc2)cc1 31241702 UEELSFGWAZXYEB-UHFFFAOYSA-N 351.402 3.976 0 40 FHAB CC(=O)N[C@@H](CC(=O)NCCCSc1ccccc1)c1cccs1 31552438 BRLYNPQKQQIQTH-INIZCTEOSA-N 362.520 3.614 0 40 FHAB CCCCCOc1cc(C)c(C)cc1S(=O)(=O)NCc1ccccn1 31903962 JVPNHFRYQFUWNP-UHFFFAOYSA-N 362.495 3.746 0 40 FHAB O=C(COC(=O)c1ccc(F)c(Cl)c1)NCc1ccccc1Cl 51353999 GOHOCSLHXTVLGN-UHFFFAOYSA-N 356.180 3.606 0 40 FHAB CN(C)c1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 51364470 FFPAXTRQUWKDTJ-IBGZPJMESA-N 373.456 3.911 0 40 FHAB Cc1cc(C)c(S(=O)(=O)Nc2cnc3c(cnn3C(C)C)c2)c(C)c1 32097980 DLVXFPCRZQMIHP-UHFFFAOYSA-N 358.467 3.738 0 40 FHAB Cc1ccc(-n2ncc3c2N=C(O)C[C@]32C(=O)N(C)c3ccccc32)cc1C 20730414 NBDVPEVEZVJOIT-JOCHJYFZSA-N 372.428 3.743 0 40 FHAB C[C@H](c1nnc(-c2ccccc2)o1)N(C)CC(=O)Nc1cccc(F)c1 32739733 SUSXCOJSNFQQTA-CYBMUJFWSA-N 354.385 3.507 0 40 FHAB Cc1cc(C(=O)CN2C[C@@H](C)O[C@H](C)C2)c(C)n1Cc1ccc(F)cc1 21670625 VJUKMIUSNSULKY-HZPDHXFCSA-N 358.457 3.584 0 40 FHAB CCOc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1C[C@H]1CCCO1 52806454 OSPPSHSARYAVOF-FOIQADDNSA-N 352.434 3.831 0 40 FHAB Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)c1 654360 SPCLKQCBBXNRRI-INIZCTEOSA-N 372.490 3.810 0 40 FHAB COc1ccccc1CN1CCC(C(=O)NCc2ccc(C)cc2)CC1 819221 OJOXHSQCTKWFNS-UHFFFAOYSA-N 352.478 3.532 0 40 FHAB Cc1cc(NC(=O)CSc2ncnc3sc4c(c23)CC[C@H](C)C4)no1 928913 KVNZHMGWEPPTCT-VIFPVBQESA-N 374.491 3.843 0 40 FHAB aggregator CC1(C)Cc2c(sc3c2C(=O)N(c2ccccc2)C2=NCCCN23)CO1 983284 GCENWGSEKRDMSW-UHFFFAOYSA-N 367.474 3.826 0 40 FHAB COc1ccc(-c2cc(=O)oc3c(C)c(O[C@@H](C)C(=O)O)ccc23)cc1 2114861 YWJDOKHHRVZPLV-LBPRGKRZSA-N 354.358 3.629 0 40 FHAB biogenic Cc1cccc(-n2c(=O)c3c4c(sc3n3c(S)nnc23)CCCC4)c1 2313917 CDSJMZUNSYSRKN-UHFFFAOYSA-N 368.487 3.571 0 40 FHAB Cc1ccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1F 2634380 BJTWASLZXCCRRC-UHFFFAOYSA-N 362.710 3.607 0 40 FHAB CCOc1ccc2nc(SCc3nc4ncccn4c3Cl)[nH]c2c1 2685211 UWZWYRVFUJUWIX-UHFFFAOYSA-N 359.842 3.950 0 40 FHAB NC(=O)c1ccccc1NC(=O)c1ccc(COc2ccccc2Cl)o1 2746656 UYURFAOZNIVZFI-UHFFFAOYSA-N 370.792 3.863 0 40 FHAB Cc1cc(Br)ccc1SCC(=O)OCC(=O)c1ccco1 3217681 ARCLTKBVRKHXLG-UHFFFAOYSA-N 369.236 3.869 0 40 FHAB COc1ccc(NC(=O)COC(=O)c2cccc3ccccc23)cc1OC 3243826 ZGMJFMKVGDEAGC-UHFFFAOYSA-N 365.385 3.653 0 40 FHAB CSc1ncccc1C(=O)OCC(=O)Nc1ccccc1C(C)(C)C 3450958 QIDIVZIUOUPIBR-UHFFFAOYSA-N 358.463 3.897 0 40 FHAB COc1ccc(NC(=O)COc2ccc(F)cc2Br)cc1 3520284 IQFLAEGGMJTHRB-UHFFFAOYSA-N 354.175 3.614 0 40 FHAB CCSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc2ccccc2c1 3905818 SGOMEOKUYPMGAR-SFHVURJKSA-N 370.474 3.764 0 40 FHAB Cc1c(-c2ccc(Cl)cc2)c(=O)oc2ccc(OS(C)(=O)=O)cc12 4340637 CNCVEBBZMXOASH-UHFFFAOYSA-N 364.806 3.760 0 40 FHAB biogenic CCOC(=O)c1c(C)c(Cc2ccccc2)c(C)c(C(=O)OCC)c1O 4658985 YFMKKUGNBBGBNL-UHFFFAOYSA-N 356.418 3.953 0 40 FHAB CC[C@H](C(=O)N[C@H](C)CNC(=O)[C@H](CC)c1ccccc1)c1ccccc1 4903465 LLGHWRVOSHYUBD-UIFIKXQLSA-N 366.505 3.995 0 40 FHAB COc1ccc(-c2ccnc(SCC(=O)Nc3nc(C)cs3)n2)cc1 4967895 ODVQGAZYSQMMKC-UHFFFAOYSA-N 372.475 3.648 0 40 FHAB COc1ccc2nc(N[C@H]3OC(=O)c4c3ccc(OC)c4OC)sc2c1 4997826 RVCAHWKNPRNHLI-INIZCTEOSA-N 372.402 3.603 0 40 FHAB CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)c1ccccc1C 5560144 NXRXFAWSICEJGL-UHFFFAOYSA-N 363.417 3.718 0 40 FHAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 5649595 NGHMQIBAQOOTIP-PKIAMQTDSA-N 374.849 3.925 0 40 FHAB COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2C)cc1 6124935 NXYULSWDNVWDGX-UHFFFAOYSA-N 368.462 3.624 0 40 FHAB COC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2Cl)cc1 6590347 USANBTIMBNBYOE-KRWDZBQOSA-N 361.850 3.901 0 40 FHAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NC2CC2)[C@@H]1c1cccs1 6875916 NYTXQNAIDORCQS-OALUTQOASA-N 368.502 3.963 0 40 FHAB Cn1c(SCC(=O)c2cn(C)c3ccccc23)nnc1-c1ccccc1 7459463 AJLASXLDOJYXQL-UHFFFAOYSA-N 362.458 3.949 0 40 FHAB CCn1c(SCC(=O)N[C@H](C)c2ccco2)nnc1-c1cccs1 7477826 RQURGESYWMDJIG-LLVKDONJSA-N 362.480 3.589 0 40 FHAB COc1ccc(CNC(=O)COC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 7982912 SAUGTIHDRRVACA-MDWZMJQESA-N 367.445 3.691 0 40 FHAB Cc1cccc(OCCNC(=O)c2ccc(OCc3cscn3)cc2)c1 8367553 XKSQMUXZGBRPMT-UHFFFAOYSA-N 368.458 3.839 0 40 FHAB Cc1cccc(OCCN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)c1 8772540 DQSSVKMJLUDZQN-QFIPXVFZSA-N 364.445 3.548 0 40 FHAB CCCCN1C(=O)CCc2cc(NC(=O)COc3ccccc3F)ccc21 9137322 VQBRIRZCLZYRNA-UHFFFAOYSA-N 370.424 3.923 0 40 FHAB COC(=O)c1sc(NC(=O)c2cc(Cl)sc2Cl)nc1C 9472185 OIVCVZIGLHSTGC-UHFFFAOYSA-N 351.236 3.859 0 40 FHAB CC(=O)c1cccc(NC(=O)c2ccc(=O)n(Cc3ccc(C)cc3)c2)c1 10187891 IRECOOGFOQZPCF-UHFFFAOYSA-N 360.413 3.660 0 40 FHAB CS(=O)(=O)Nc1cccc(C(=O)Nc2c(Cl)cccc2Cl)c1 10334847 NVZBKSJPESMGDO-UHFFFAOYSA-N 359.234 3.617 0 40 FHAB COc1ccc(C(=O)CSc2nnc(-c3cc(C)oc3C)o2)cc1OC 11835519 JPBNQAMZHTVKOV-UHFFFAOYSA-N 374.418 3.939 0 40 FHAB Cc1ccc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2cccc(F)c2F)C3)nc1 12135285 BTMVVBSLBKEEMF-QRTHJKPMSA-N 358.432 3.788 0 40 FHAB Cc1ncc2c(n1)C1(CCN(Cc3cccc(OC(C)C)c3)CC1)OCC2 12337918 PPJVFPXJOQHIEG-UHFFFAOYSA-N 367.493 3.636 0 40 FHAB C[C@@H](NC(=O)c1ccccc1OC(F)F)c1ccc(-n2ccnc2)cc1 12535385 BFRSWJUEUQXTGO-CYBMUJFWSA-N 357.360 3.965 0 40 FHAB CSCC[C@@H](NC(=O)CCc1cccnc1)c1nc2ccccc2[nH]1 12541067 JZSYOKGRQNTOHJ-QGZVFWFLSA-N 354.479 3.501 0 40 FHAB Cc1ccccc1OCC(=O)Nc1nc(CN2C[C@H](C)C[C@@H](C)C2)cs1 12773508 KMNONAIKDYAZPH-HUUCEWRRSA-N 373.522 3.947 0 40 FHAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)C2CCCC2)cc1 13009538 CXABEUAIFXIIPE-UHFFFAOYSA-N 372.490 3.636 0 40 FHAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccc(Cl)cc1)c1ccco1 13266374 UVYPPAQAVBIZON-INIZCTEOSA-N 355.825 3.985 0 40 FHAB Cc1ccc(Cl)cc1NCC(=O)N1c2ccccc2NC(=O)C1(C)C 14021754 YLJSWUNCIXQLAR-UHFFFAOYSA-N 357.841 3.824 0 40 FHAB CCC(=O)N1N=C(c2ccccc2)Sc2c1nc(CC)n2C(=O)CC 16777734 HLPYKTIHWUUCHR-UHFFFAOYSA-N 356.451 3.706 0 40 FHAB CC(C)(C)C(=O)N[C@@H](c1ccccn1)C1CCN(Cc2cccnc2)CC1 19082089 HAFKROXHWAGUBR-HXUWFJFHSA-N 366.509 3.592 0 40 FHAB Cc1ccc(-c2cc(C(=O)NCc3nnc(-c4ccccc4)o3)no2)cc1 19715051 HCKNPPVBFOADHD-UHFFFAOYSA-N 360.373 3.630 0 40 FHAB CCCCOc1ccccc1C(=O)NCC1(N2CCOCC2)CCCCC1 19902144 FVAISTBKBHGOBK-UHFFFAOYSA-N 374.525 3.630 0 40 FHAB CCOc1cccc(C(=O)Nc2nc3ccc(C(=O)OC)cc3s2)c1 20412299 KQMVTOHINFXFFF-UHFFFAOYSA-N 356.403 3.734 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 20716762 CWHOCXRIPOKVIW-DNVCBOLYSA-N 372.852 3.897 0 40 FHAB C[C@H]1C(=O)N(CCOc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 21267908 CDTGGDCBEXEHDP-LBPRGKRZSA-N 362.788 3.715 0 40 FHAB CCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(CC)cc2)c1 21596404 LKHBWSDEFHNMNC-UHFFFAOYSA-N 355.463 3.724 0 40 FHAB CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)CC)cc1)c1ccc(C)cc1 22514604 JAMJLCZODIBERF-LJQANCHMSA-N 374.506 3.662 0 40 FHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl 22534916 OLUROQUZQNRSEL-UHFFFAOYSA-N 353.827 3.626 0 40 FHAB Cc1ccc(-c2noc(CN3CCN(C/C=C/c4ccccc4)CC3)n2)cc1 22787541 DECHLSDFFFDDLQ-VMPITWQZSA-N 374.488 3.876 0 40 FHAB C[C@H](CC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1)c1ccccc1 24775010 QROVQZRKFPBEFT-MRXNPFEDSA-N 366.461 3.763 0 40 FHAB CCSc1ncc(Br)c(C(=O)Nc2cccc(OC)c2)n1 27743712 XQFPAJSWYSDWDL-UHFFFAOYSA-N 368.256 3.612 0 40 FHAB O=C(c1cc(F)cc(F)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 28210861 IBJXBSNVBMJPLM-UHFFFAOYSA-N 370.321 3.946 0 40 FHAB CC(=O)CCC(=O)Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1 28221629 YCMXMVGPJQZZKR-UHFFFAOYSA-N 353.353 3.850 0 40 FHAB COc1ccc(C(=O)N[C@H](C)c2ccc(-n3cccc3)cc2)c(OC)c1 28303914 QEWAFMLHZPQWIB-OAHLLOKOSA-N 350.418 3.986 0 40 FHAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccc(OC)cc2)c1 30751662 ANXHNAQWWNLAHC-ZDUSSCGKSA-N 359.447 3.991 0 40 FHAB Cc1cccc(OCCNC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c1 31041780 PEKGXERXYFQDDA-HXUWFJFHSA-N 370.449 3.753 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)Cc2coc(-c3ccccc3)n2)c1 32210013 CWHCJIQHKIFUTC-AWEZNQCLSA-N 366.417 3.779 0 40 FHAB O=C(c1cc(=O)c2ccccc2o1)N1CCC(CCN2CCCCC2)CC1 32593658 SZQZWMMKKBNBIB-UHFFFAOYSA-N 368.477 3.521 0 40 FHAB Cc1cc(=O)n2nc(Oc3ccc(Cl)cc3Br)sc2n1 32824960 JWPMQZZDRPZAGF-UHFFFAOYSA-N 372.631 3.668 0 40 FHAB Cc1csc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)n1 32931996 NCQMIHJZNMHGPG-GFCCVEGCSA-N 358.492 3.916 0 40 FHAB Cc1cc(C(=O)NCc2cccnc2OCC(F)(F)F)c(C)n1C1CC1 33108515 DTYYSUXCUUKSPL-UHFFFAOYSA-N 367.371 3.706 0 40 FHAB COc1ccc(-c2cc3nc(C)c(C)c(N4CCCC4)n3n2)cc1OC 35315440 YTHVAJCAPPSFFM-UHFFFAOYSA-N 352.438 3.631 0 40 FHAB CSc1cccc2sc(NC(=O)Cn3c(=O)oc4ccccc43)nc12 36679025 RGCIUWGWGVJMQF-UHFFFAOYSA-N 371.443 3.565 0 40 FHAB O=C(CCc1ccccc1)Nc1nn2c(C3CCCCC3)nnc2s1 41108824 VISYEVSEEOUWPT-UHFFFAOYSA-N 355.467 3.805 0 40 FHAB CCn1cc(NC(=O)COc2ccc3oc4ccccc4c3c2)ccc1=O 47182940 BLFJRILYWNEPOB-UHFFFAOYSA-N 362.385 3.785 0 40 FHAB Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)cc1)SCC(O)=N2 49545467 FKQLVOOJHOEIQS-KRWDZBQOSA-N 352.419 3.706 0 40 FHAB COc1ccc(CN(Cc2nc3ccccc3[nH]2)C[C@@H]2CCCO2)cc1 53536558 JPQIWJYIAZVPAN-SFHVURJKSA-N 351.450 3.753 0 40 FHAB Cc1ccc(-c2nc(C(=O)OCCc3c[nH]nc3C(F)(F)F)cs2)o1 56231169 DSXGYLOEXXNAHU-UHFFFAOYSA-N 371.340 3.853 0 40 FHAB O=C(NCCn1ccc2c(Cl)cccc21)c1cc(=O)[nH]c2ccccc12 61721532 PSBKJYOSTFUHMP-UHFFFAOYSA-N 365.820 3.566 0 40 FHAB CCn1ncc2ccc(NS(=O)(=O)c3ccc(Cl)cc3F)cc21 62580678 AKWMYWQUEBDYOO-UHFFFAOYSA-N 353.806 3.650 0 40 FHAB C=Cc1ccc(CSc2nc3ccccc3c(=O)n2CCOC)cc1 67258470 KWDUCNSOOCKQPN-UHFFFAOYSA-N 352.459 3.978 0 40 FHAB COc1ccc(-c2nc(CN3CC[C@H](CN)C3)c(C)o2)c2ccccc12 67727334 YEARWIUHNOJCKN-OAHLLOKOSA-N 351.450 3.592 0 40 FHAB CCN(CC)C(=O)CN1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 72357643 NXSQKXUHENXISO-OAQYLSRUSA-N 369.484 3.817 0 40 FHAB COc1cccc(CN2CCCC[C@H]3CN(C(=O)C4CCCC4)C[C@H]32)c1 72399154 QFYOJOLDESHODN-PZJWPPBQSA-N 356.510 3.698 0 40 FHAB COc1ccc(-c2nnsc2C(=O)Nc2cccc3[nH]ccc23)cc1 72401686 ZCXUAQBRMBXPJB-UHFFFAOYSA-N 350.403 3.947 0 40 FHAB COc1ccc2[nH]cc(C3=CCN(CCC(=O)N4CCC[C@@H]4C)CC3)c2c1 72578421 IPPSJQAFYNVTJI-INIZCTEOSA-N 367.493 3.667 0 40 FHAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1C 74008645 PZJHVKGTSNOODF-UHFFFAOYSA-N 354.431 3.907 0 40 FHAB COc1cccc([C@@H](O)CSc2nnc3sc4ccccc4n23)c1 74009737 OMPMICOLLYQMJG-AWEZNQCLSA-N 357.460 3.778 0 40 FHAB O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2)[C@@H]1CC=CCC1 75170415 BFCXWQAXAPJLIX-WBVHZDCISA-N 354.450 3.759 0 40 FHAB Fc1ccc([C@@H](c2ccccc2)N2CCC(CN3CCOCC3)CC2)cc1 78971195 KRPGQACYZJBYDR-HSZRJFAPSA-N 368.496 3.959 0 40 FHAB COc1cccc(-n2nnc(C(=O)NCC3CCCCCCC3)c2C)c1 84057962 JZLCARFLAJXTBT-UHFFFAOYSA-N 356.470 3.675 0 40 FHAB CN1c2ccccc2Oc2nnc(N3CCN(Cc4ccccc4)CC3)cc21 95284070 KKEGVNCPHQPGEI-UHFFFAOYSA-N 373.460 3.672 0 40 FHAB C[C@H]1CN(c2ccc(NC(=O)c3cccnc3Cl)cc2F)C[C@@H](C)O1 95351283 PBXDIGFWZPUHDN-TXEJJXNPSA-N 363.820 3.740 0 40 FHAB O=C(Nc1ccccc1O)c1ccn(-c2cccc(Br)c2)n1 95389685 DBEOIWVHPPUZMM-UHFFFAOYSA-N 358.195 3.593 0 40 FHAB O=C(Nc1cccc(F)c1)[C@@H]1C[C@@]12CCN(C(=O)CCc1ccccc1)C2 96075051 KZTDVOOMGROPSQ-SIKLNZKXSA-N 366.436 3.636 0 40 FHAB Cc1cccc(COC[C@@]23CCC[C@@H]2CN(C(=O)c2cccs2)C3)n1 96109299 JURFMFZIYHOGTA-UZLBHIALSA-N 356.491 3.911 0 40 FHAB CO[C@](C)(CNC(=O)COc1ccccc1F)c1cccc(Cl)c1 96392464 HKMYCXZIFCUWRP-GOSISDBHSA-N 351.805 3.536 0 40 FHAB C[C@H]1CCCCN1CCCNC(=O)N[C@H]1CCOc2c(Cl)cccc21 106629665 UQJKYJKUHCATAX-YOEHRIQHSA-N 365.905 3.727 0 40 FHAB CCOC(=O)C(=O)c1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C 196345171 YQELPWDEUURHKA-UHFFFAOYSA-N 361.316 3.798 0 40 FHAB O=S(=O)(Cc1c(Cl)cccc1Cl)NCCc1ccc(F)cc1 224213297 ZFVLFFXQSNQNQH-UHFFFAOYSA-N 362.253 3.795 0 40 FHAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc[nH]2)c1 224519998 FAAKWUMJNLCXIZ-QZTJIDSGSA-N 350.447 3.595 0 40 FHAB O=S(=O)(NC[C@H](O)c1csc2ccccc12)c1ccc(Cl)s1 225695853 ATKUHZPACSYJKC-NSHDSACASA-N 373.908 3.628 0 40 FHAB CCCCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(N)c2)cc1 226268146 IVOPQPWMYLEUHQ-UHFFFAOYSA-N 369.465 3.537 0 40 FHAB COc1ccc(Br)cc1C(=O)Nc1ccc(N)cc1Cl 227157098 WEIPEAXEXNSTHN-UHFFFAOYSA-N 355.619 3.946 0 40 FHAB CC(C)[C@@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)c1ccccc1 255189847 SMUJUQUNZPDFSQ-SFHVURJKSA-N 356.466 3.861 0 40 FHAB O=C(c1nccc2ccccc12)N1CCCC[C@@H]1c1ccn2nccc2n1 257300038 RSQBZSFCFNWFPB-GOSISDBHSA-N 357.417 3.645 0 40 FHAB Cc1cc(-c2nccn2C)nc([C@H]2CCN(Cc3sccc3C)C2)n1 257345024 ZZQAMZOJVNRROD-HNNXBMFYSA-N 353.495 3.545 0 40 FHAB Cc1nnc([C@H]2COCCN2C(=O)c2ccc(C3CCCCC3)cc2)o1 275400435 QASHNUROXODCOY-GOSISDBHSA-N 355.438 3.639 0 40 FHAB CC1(C)CC[C@@H](CNC(=O)N=c2ccn(CC(F)F)[nH]2)c2ccccc21 539869918 RLTCADAZONOFLO-ZDUSSCGKSA-N 362.424 3.547 0 40 FHAB CC(C)(C)n1cnc(C(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)n1 555230662 SOOLVPDSUSJICM-UHFFFAOYSA-N 369.444 3.673 0 40 FHAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(Cc2ccc(C)s2)C3)n1 585104946 MQQOKMSDBSZFNB-SFHVURJKSA-N 358.507 3.710 0 40 FHAB O=C1Nc2ccccc2[C@@]12Nc1ccccc1-c1nc(-c3ccccc3)nn12 585157946 UBDYGZZCPAPSFX-QFIPXVFZSA-N 365.396 3.691 0 40 FHAB CC(C)Oc1ccc(C(=O)Nc2n[nH]cc2-c2ccc3c(c2)OCO3)cc1 608245023 FWIRJYUHDLGXJO-UHFFFAOYSA-N 365.389 3.845 0 40 FHAB COc1nccc2cc(NC[C@@H]3CCCO[C@H]3c3nccn3C)ccc12 657482416 WNYJVBUWMJYJCT-MAUKXSAKSA-N 352.438 3.557 0 40 FHAB O=C(c1ccccc1Cl)N1CCC[C@](O)(COc2ccc(F)cc2)C1 2037909378 YTNVZOTWSOLFAG-LJQANCHMSA-N 363.816 3.525 0 40 FHAB CCOc1ccc(NC(=O)c2nnn(-c3cccc(Cl)c3)c2C)cc1 2692774 YTEJKTOUEUKNHA-UHFFFAOYSA-N 356.813 3.880 0 40 FHAB Cc1ccc(C)c(OCCOC(=O)C[C@H]2Sc3ccccc3NC2=O)c1 12424850 VOBAFHVBOZRPOI-GOSISDBHSA-N 371.458 3.729 0 40 FHAB Cc1c(C(=O)Nc2ncccc2O)cnn1-c1cccc(C(F)(F)F)c1 22991060 NXABLSYAVHKCMC-UHFFFAOYSA-N 362.311 3.552 0 40 FHAB O=C([C@H](Sc1nnc2ccccn12)c1ccccc1)N1CCCCC1 7111430 WYFSVYCCJRHXSV-QGZVFWFLSA-N 352.463 3.575 0 40 FHAB C[C@@H]1CCc2c(sc3ncnc(-n4nnc(-c5ccc(F)cc5)n4)c23)C1 7777612 DFDGWEUFDYOZDT-SNVBAGLBSA-N 366.425 3.598 0 40 FHAB COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2C)c(OC)c1 8071840 UZLHFMCVTFTZNI-UHFFFAOYSA-N 364.854 3.792 0 40 FHAB Cc1cc(=O)c(C(=O)N[C@@H]2CCCC[C@@H]2C)nn1-c1ccccc1Cl 23325026 FAXVNTHMQBDEIA-SWLSCSKDSA-N 359.857 3.503 0 40 FHAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc2c(c1)OCO2 1002625 NKSYDEWHEYNMGJ-CQSZACIVSA-N 355.434 3.797 0 40 FHAB O=C(NCCSc1ccc(Cl)cc1)NCCc1cn2ccccc2n1 12544617 ZRDUDRPDRSGCNF-UHFFFAOYSA-N 374.897 3.622 0 40 FHAB Cc1ccc(C)c(N2CCN([C@@H](CC(C)C)c3nnnn3C(C)C)CC2)c1 57670217 PXKMUKKJRNYWNQ-FQEVSTJZSA-N 370.545 3.780 0 40 FHAB Cc1cccc(NC(=O)COc2ccc(C=O)cc2Br)c1C 9397036 MJEJRIIPBPESBS-UHFFFAOYSA-N 362.223 3.896 0 40 FHAB COc1cccc([C@H](CNC(=O)N(C)[C@@H](C)c2ccc(F)cc2)N(C)C)c1 54920951 DTFYVCJYJONCRC-YWZLYKJASA-N 373.472 3.840 0 40 FHAB O=C(COC(=O)c1cnc(Cl)c(Cl)c1)NCCC1=CCCCC1 3279789 FVGHFOZOEYGQIC-UHFFFAOYSA-N 357.237 3.552 0 40 FHAB Cc1c(C(=O)N(Cc2ccc(F)cc2F)C2CC2)nnn1-c1ccccc1 55196394 BYIOHFUKQOXVAM-UHFFFAOYSA-N 368.387 3.659 0 40 FHAB COc1ccc(-c2nnc(NC(=O)c3ccccc3C)s2)c(OC)c1 3227446 DFPWHNIQIVIOQU-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB NC(=O)c1cc(NC(=O)c2cccc(OCc3cccs3)c2)ccc1F 25145450 NEDDTALQVLUVRW-UHFFFAOYSA-N 370.405 3.817 0 40 FHAB COc1ccc(C(=O)CSc2nccn2-c2ccccc2)cc1OC 26127827 MPSPJZNKDYXBAB-UHFFFAOYSA-N 354.431 3.865 0 40 FHAB C[C@H](C(=O)N(C)Cc1ccccc1)N1CCN(c2ccccc2Cl)CC1 57024397 KUSLWAACJMFAFO-QGZVFWFLSA-N 371.912 3.509 0 40 FHAB Cc1noc2nc(C3CC3)cc(C(=O)N(Cc3ccccn3)C(C)C)c12 48278611 XBJBTTAZXLIYCP-UHFFFAOYSA-N 350.422 3.854 0 40 FHAB Cc1cc(=O)n(CC(=O)Nc2c(C)cccc2C)c(-c2ccc(F)cc2)n1 57477800 MZCOMHIOLNZTLX-UHFFFAOYSA-N 365.408 3.613 0 40 FHAB CN(C)Cc1cccc(CNC(=O)COc2ccccc2C(C)(C)C)c1 95349803 CNKNOBYLROLUKE-UHFFFAOYSA-N 354.494 3.741 0 40 FHAB CCCCc1noc([C@@H](C)S(=O)(=O)Cc2c(F)cccc2Cl)n1 58029418 HRLWTPJQVHXDHL-SNVBAGLBSA-N 360.838 3.881 0 40 FHAB Cc1ccc(-n2c(S[C@@H]3CCOC3=O)nnc2-c2ccccc2)cc1C 3319874 LZHDXUAGGCOITQ-QGZVFWFLSA-N 365.458 3.959 0 40 FHAB C[C@@H](OC(=O)c1ccccc1)C(=O)Nc1ncc(C(F)(F)F)cc1Cl 10026220 BYDSLCMAACWVDO-SECBINFHSA-N 372.730 3.938 0 40 FHAB O=C(CSc1nnc(NC2CCCCC2)s1)N1CCc2ccccc21 3302104 SFALJPUHYLLVOA-UHFFFAOYSA-N 374.535 3.964 0 40 FHAB CC(C)Sc1nc2ccccc2n1CN1CCN(c2ccccn2)CC1 3358294 SWKMIYSXBPFLFD-UHFFFAOYSA-N 367.522 3.712 0 40 FHAB Cc1cc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2ccccn2)cc(C)c1O 100148978 CHJIWMQDTYXCOI-RTBURBONSA-N 352.478 3.524 0 40 FHAB C[C@@H](NC(=O)CCC(=O)c1cccs1)c1nc(-c2ccccc2)c[nH]1 58218203 VMKSOCITPBWSQQ-CYBMUJFWSA-N 353.447 3.979 0 40 FHAB COC(=O)c1ccc2c(c1)[C@H]1C[C@](C)(O2)N(c2ccc(C)cc2)C(=O)N1 101085035 UZCUMINIHMVENP-UZLBHIALSA-N 352.390 3.551 0 40 FHAB CCc1cccc(CC)c1NC(=O)CCn1nc(-c2cccs2)oc1=O 12803770 GCQBICWKIQTZDD-UHFFFAOYSA-N 371.462 3.718 0 40 FHAB CC(=O)c1c(C)cc(C)c(CN2CCC(C(=O)N3CCCC3)CC2)c1C 27964309 JLTVFLLALZUPIA-UHFFFAOYSA-N 356.510 3.649 0 40 FHAB CCOc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1OC 12868388 YRAUDQFZKQASMQ-IBGZPJMESA-N 368.477 3.661 0 40 FHAB C/C(=C\C(=O)NC1CCN(Cc2ccccn2)CC1)CCc1ccccc1 58407306 MLIUKHVQQWXEMZ-HTXNQAPBSA-N 363.505 3.741 0 40 FHAB Cc1ccc(OCC(=O)N[C@@H](C)c2nc(-c3ccccc3)no2)c(C)c1 10537073 FMVWUMPBRQHTET-HNNXBMFYSA-N 351.406 3.610 0 40 FHAB CC(=O)Nc1cccc(C(=O)OCc2ccc(F)cc2Br)c1 11408407 KRELFXOIWDWNLO-UHFFFAOYSA-N 366.186 3.904 0 40 FHAB CN(Cc1ccc(Br)s1)C(=O)CCc1ccccc1O 45906474 DSLBOQPAEHBRDM-UHFFFAOYSA-N 354.269 3.807 0 40 FHAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccccc1Br 408706694 CQSQEPARGXAPAQ-LBPRGKRZSA-N 355.276 3.720 0 40 FHAB O=C(CCOc1ccc(Cl)cc1)NCc1cnn(-c2ccccc2)c1 46570580 XRBRHYQYQIRVFI-UHFFFAOYSA-N 355.825 3.611 0 40 FHAB Cc1ccc(OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c(C)c1 12977866 GDHHMJLCOPVIEY-UHFFFAOYSA-N 366.461 3.560 0 40 FHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(-c2ccccc2F)o1 13004528 UPLZRKRAMZUZJK-UHFFFAOYSA-N 370.355 3.936 0 40 FHAB Cc1cccc(-n2c(S[C@@H]3CCOC3=O)nnc2-c2ccccc2)c1 8710841 WXNMVUHVDGZXDX-MRXNPFEDSA-N 351.431 3.650 0 40 FHAB O=C(Cn1ccc2cccc(OCc3ccccc3)c21)NCc1cccnc1 49550417 XTYJQCBSLOYLRS-UHFFFAOYSA-N 371.440 3.932 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cn(C)c3ccccc23)c1 5261404 RAXSNZOKMFVYLD-AWEZNQCLSA-N 364.401 3.565 0 40 FHAB CCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nc2ccccc21 4484457 PJJALEALHSGWEO-UHFFFAOYSA-N 354.431 3.802 0 40 FHAB C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)c2cccs2)C1=O 4477640 OHSYKLDNTXZXOI-HXUWFJFHSA-N 364.426 3.551 0 40 FHAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccc[nH]1 4516060 KFHCHYNGSOUERW-UHFFFAOYSA-N 364.430 3.890 0 40 FHAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCCOc1ccc2ccccc2c1 14318967 RVWGCCOJTKAEHX-VFNWGFHPSA-N 363.413 3.563 0 40 FHAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OC)c(OCC)c1 409378369 OUDZIYYUANAGQA-QGZVFWFLSA-N 374.462 3.862 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2cccc(OC)c2)c1 20048153 FRNBSSKFFZNAEA-CQSZACIVSA-N 357.406 3.586 0 40 FHAB CCCCN1C(=O)[C@@](O)(CC(=O)c2ccc(C)cc2C)c2ccccc21 4784341 KCYBJHAPOJVVMR-JOCHJYFZSA-N 351.446 3.911 0 40 FHAB O=c1c2ccccc2nc(SC[C@H]2CCCO2)n1-c1ccccc1F 6990566 QPHFDWDEKYSLGV-CYBMUJFWSA-N 356.422 3.796 0 40 FHAB Cc1ccc(C(=O)CCC(=O)N2CCN(c3ccccc3C)CC2)cc1C 8094973 WXJHBUJXTLJSJL-UHFFFAOYSA-N 364.489 3.924 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1n[nH]c2ccccc12 8340934 KHCHPVQZXZCMIV-UHFFFAOYSA-N 359.433 3.638 0 40 FHAB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3F)n2)cc1 8483990 UMQUXAVMHOFKBX-UHFFFAOYSA-N 356.426 3.904 0 40 FHAB C[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NC[C@@H]1CCCO1 9495036 LTLYICMHFHKMGZ-ONGXEEELSA-N 356.900 3.726 0 40 FHAB Clc1nc(NCCC2CCN(Cc3ccccc3)CC2)c2nc[nH]c2n1 9419264 NOMJTFKDTMOYCC-UHFFFAOYSA-N 370.888 3.721 0 40 FHAB Cc1cccc(-c2noc(COc3ccc(CC(=O)O)c(Cl)c3)n2)c1 97166025 BAXMDYPNSDIGSA-UHFFFAOYSA-N 358.781 3.905 0 40 FHAB CC(=O)Nc1ccc(C(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)cc1 72305430 ZOJPILOGZMGRPN-UHFFFAOYSA-N 371.384 3.785 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)CSCc2ccc(F)cc2)c1 26392211 TXGJHKPPCCJKPE-ZDUSSCGKSA-N 363.454 3.954 0 40 FHAB Cc1cccc(N2C[C@@H](C(=O)NCCCCc3ccccc3)CC2=O)c1C 408708833 UFRKQRDEFXCBTI-FQEVSTJZSA-N 364.489 3.795 0 40 FHAB COc1cc(OC)c(NC(=O)[C@@H](C)Oc2ccccc2F)cc1Cl 24639854 WOXBCCUYWDHXGJ-SNVBAGLBSA-N 353.777 3.902 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)c1 78579457 DLQNBPROIANINI-CYBMUJFWSA-N 357.435 3.532 0 40 FHAB O=C(CN1CCC(Cc2ccccc2)CC1)Nc1cccc(-n2cccn2)c1 35322773 LKMQKSJUMKRYOA-UHFFFAOYSA-N 374.488 3.766 0 40 FHAB CC1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(Cl)cc1Cl 71979826 HPLNXIHUIHZWFB-FBUIMKQZSA-N 372.248 3.825 0 40 FHAB Cc1ccc(-c2cc(C(=O)N3CCCCC[C@H]3c3ncon3)[nH]n2)cc1 184180145 FMZOKRNTJCSNCT-KRWDZBQOSA-N 351.410 3.526 0 40 FHAB CC1(C)C(=O)Nc2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc21 49741315 QUMYJIAELJPARI-UHFFFAOYSA-N 364.854 3.512 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)N1CCc2cc(-c3ccncc3)ccc21 225639943 VPWJZXWEVWBQCD-UHFFFAOYSA-N 368.433 3.948 0 40 FHAB Cc1nnc(C2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)s1 86071683 GYVLVSXHQUZZBZ-UHFFFAOYSA-N 360.464 3.583 0 40 FHAB CCO[C@@](C)(CC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 225650299 NSULOFLYIZPGNO-NRFANRHFSA-N 362.514 3.941 0 40 FHAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCOC)nc1C 225904808 AFMRSXOHRJRROG-LJQANCHMSA-N 352.475 3.585 0 40 FHAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2cccc(OC)c2)c1C 44902053 CTUMNGUDWXQCCT-AWEZNQCLSA-N 357.406 3.586 0 40 FHAB CN(c1cccc(C(=O)N2CCCCCC2)c1)S(=O)(=O)c1ccccc1 224252517 FGQNQTCOAQIFMU-UHFFFAOYSA-N 372.490 3.528 0 40 FHAB CCc1ccc([C@H](C)NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)cc1 40130301 GORLORLGVVFABO-YOEHRIQHSA-N 372.900 3.786 0 40 FHAB CCc1cccc(C)c1NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 40640128 OVBLWWDYBVNGIY-UHFFFAOYSA-N 372.490 3.740 0 40 FHAB O=C(NCc1cccs1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225735429 KNLBZLSDEYIBNE-GFCCVEGCSA-N 371.384 3.525 0 40 FHAB O=C(NC1CCC(C(F)F)CC1)N1Cc2cnn(-c3ccccc3)c2C1 573899169 FSVDEDSVKACNSQ-UHFFFAOYSA-N 360.408 3.721 0 40 FHAB Cc1nc([C@H]2COCCN2C(=O)Cc2csc3ccccc23)cs1 96218745 LZFCXEJNVJYMBZ-MRXNPFEDSA-N 358.488 3.809 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c(Cl)c1 582508302 LRDKDBCPEOFVHL-UHFFFAOYSA-N 350.198 3.942 0 40 FHAB Cc1ccc(NC(=O)N2CC[C@@]3(C[C@@H]3C(=O)NCc3cccs3)C2)cc1 96075103 NIOOTVKADULZQV-YLJYHZDGSA-N 369.490 3.617 0 40 FHAB Cc1cccc(COC[C@H]2C[C@H]3[C@@H](C2)OCCN3Cc2cccs2)n1 96250698 RWFYWQODYLASQT-FFZOFVMBSA-N 358.507 3.648 0 40 FHAB Cc1cncc(COC[C@@]23CCC[C@@H]2CN(C(=O)c2ccsc2)C3)c1 96205873 POZLIVISDJDLHC-QUCCMNQESA-N 356.491 3.911 0 40 FHAB COc1cccc([C@@H]2Cn3ccnc3CN2C(=O)c2cc(C)cs2)c1 257250007 JKPXXYWIDXHSAT-INIZCTEOSA-N 353.447 3.659 0 40 FHAB CCc1ccc(NC(=O)c2ccccc2NC(=O)c2cnc(C)cn2)cc1 25047620 PTBYJBKQIMQLCU-UHFFFAOYSA-N 360.417 3.852 0 40 FHAB O=C(Nc1ccc(OC2CCCC2)nc1)c1cncn1-c1ccc(F)cc1 588806909 GMVHYOPRBCZIFU-UHFFFAOYSA-N 366.396 3.980 0 40 FHAB Cc1c(C(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)oc2ccc(F)cc12 275713902 VHNDQVNAWRVJLY-QFBILLFUSA-N 354.381 3.925 0 40 FHAB CO[C@@H](Cn1ccc(=O)c2cc(Oc3ccccc3)ccc21)[C@@H]1CCOC1 664021892 JBLQQKTWFMNXEX-ZHRRBRCNSA-N 365.429 3.845 0 40 FHAB O=C(CC1CCCCC1)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585111213 JIJPCDXETMFGSD-HXUWFJFHSA-N 367.493 3.632 0 40 FHAB O=C(Nc1cccc(Cn2cncn2)c1)[C@@H]1CCCC[C@H]1C(F)(F)F 84374390 BFGAZZLNFDVQSC-HUUCEWRRSA-N 352.360 3.634 0 40 FHAB O[C@@H](c1ccccc1)n1c(=S)sc(=S)n1[C@@H](O)c1ccccc1 5684643 MPHYXTLFUUJVBN-KBPBESRZSA-N 362.501 3.888 0 40 FHAB CCCc1cc(C(=O)N2CCC[C@H](c3cc4ccccc4cn3)C2)n(C)n1 12188222 ZRGNCJYDBGVAEP-SFHVURJKSA-N 362.477 3.941 0 40 FHAB CC(=O)c1cc(C(=O)N[C@H]2CC3(CCOCC3)Oc3ccccc32)cs1 12219617 PKZTXPSVQZYZAT-INIZCTEOSA-N 371.458 3.754 0 40 FHAB c1csc(-c2nc(NCCc3c[nH]cn3)ncc2-c2ccsc2)n1 12221955 GQKPSLIZSHJMSH-UHFFFAOYSA-N 354.464 3.706 0 40 FHAB CCOC(=O)c1cc(Cl)cnc1C1CCN(Cc2cccnc2)CC1 12222170 HLBZVEYBJPZAAJ-UHFFFAOYSA-N 359.857 3.686 0 40 FHAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)C(C)C)cc2n1 12276494 XKTZKQPZRGUVDZ-CYBMUJFWSA-N 354.376 3.630 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)NCCSc2ccc(C)c(C)c2)cc1 12932661 JDKFUXKAAGCPAX-UHFFFAOYSA-N 363.504 3.577 0 40 FHAB Cc1ccc(NC(=O)CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)c(C)c1 12976897 KMBFVYJLWAPAOE-QGZVFWFLSA-N 363.465 3.516 0 40 FHAB COc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1 13494945 MPXHYJWJNGHYPA-LLVKDONJSA-N 357.797 3.890 0 40 FHAB CC1CCC(CNC(=O)Nc2ccc(Cl)cc2)(N2CCOCC2)CC1 13964991 ABLZNQNPUZZEBB-UHFFFAOYSA-N 365.905 3.743 0 40 FHAB C[C@]12CC[C@@H]3[C@H]4CC[C@H](O)C[C@H]4CC[C@@H]3[C@]1(O)CC[C@H]2c1ccc(=O)oc1 16698387 GPONOZAAWGWGJW-DJXOKGAXSA-N 372.505 3.852 0 40 FHAB O=C(NCCCn1ccc2ccccc21)N1CCN(c2ccccc2)CC1 17129086 WQDBJQSGHFQEKC-UHFFFAOYSA-N 362.477 3.563 0 40 FHAB COc1c(C)cccc1CN1C[C@@H]2CCC[C@H](C1)C2(O)c1ccc(C)cn1 19215719 MZSNMLADQAEVTJ-DETIRCLXSA-N 366.505 3.827 0 40 FHAB CC(C)CN1CCC[C@H]([C@@H](NC(=O)c2cccs2)c2ccccn2)C1 19447185 KRKJPDTVPQGZFJ-QFBILLFUSA-N 357.523 3.982 0 40 FHAB COc1ccc(-c2c(C)c3ccc(OCC(C)=O)cc3oc2=O)cc1OC 4340113 FDZBBZYLKUYPLZ-UHFFFAOYSA-N 368.385 3.753 0 40 FHAB biogenic COc1cccc([C@H]2CN(C(=O)c3ccc(C)c(F)c3)[C@@H]3CCCN[C@H]23)c1 19214461 QVPJCPVBMUHMQA-HMXCVIKNSA-N 368.452 3.503 0 40 FHAB C[C@]1(C(=O)OCC(=O)c2ccc(Br)cc2)CC1(Cl)Cl 3525431 VNWZJMABJJOILO-GFCCVEGCSA-N 366.038 3.759 0 40 FHAB Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccccc3)[nH]c(=O)c2c1C 6083048 MSVDVSBFEXAIIA-LBPRGKRZSA-N 373.503 3.862 0 40 FHAB Cc1ncsc1CN1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889091920 VZGAKPYPLVNZFN-GXTWGEPZSA-N 368.428 3.576 0 40 FHAB Cc1cnc(C)c(OC2CCN(c3cnc4cc(Cl)ccc4n3)CC2)n1 2087045655 YHHNSBOWBMWGRK-UHFFFAOYSA-N 369.856 3.738 0 40 FHAB Fc1cccc(NC(=S)N2CCn3cccc3[C@H]2c2ccncc2)c1 4059467 QQBUGMQPLOGFDI-GOSISDBHSA-N 352.438 3.824 0 40 FHAB COc1ccc(-c2nc(CCNC(=O)Cc3ccc(F)cc3)cs2)cc1 4167112 NSQQMJYWMBRSMW-UHFFFAOYSA-N 370.449 3.859 0 40 FHAB Cc1ccc(NC(=O)N[C@H]2CC(=O)N(c3cccc(F)c3)C2)cc1Cl 5194016 UCEYSKVTNFRVOP-AWEZNQCLSA-N 361.804 3.715 0 40 FHAB Cc1ccccc1OCC(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2 5136407 IVNXEGXOEKFWHA-UHFFFAOYSA-N 366.461 3.948 0 40 FHAB COc1cc2nc(NC(=O)c3c(F)cccc3F)sc2cc1OC 5187443 GTXZFDZRIQMONK-UHFFFAOYSA-N 350.346 3.844 0 40 FHAB CCCN1C(=O)CCc2cc(NC(=O)COc3ccccc3F)ccc21 9107284 AUVOGMDGQVKOSU-UHFFFAOYSA-N 356.397 3.532 0 40 FHAB O=C(NC[C@H]1COC2(CCCC2)O1)c1cc(Br)ccc1Cl 10220476 UHIHQYRYPMJPRL-NSHDSACASA-N 374.662 3.518 0 40 FHAB C[C@@H](NC(=O)c1cccc(Cl)c1)[C@H](c1cccs1)N1CCOCC1 23180990 RZVPOMVMQRGSHT-CXAGYDPISA-N 364.898 3.593 0 40 FHAB O=C(COc1ccc(Cl)cc1)NCC1CCN(Cc2ccccc2)CC1 23127986 KWJWMJSYPDQVAD-UHFFFAOYSA-N 372.896 3.747 0 40 FHAB Cc1ccc2c(O)c(C(=O)N(C)Cc3nc4ccccc4s3)cnc2n1 40122814 SBJQZIKBUWWOPA-UHFFFAOYSA-N 364.430 3.526 0 40 FHAB C[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)OCCO2 20537559 CGDIYSLDOMHMOG-JHMRYYBSSA-N 356.466 3.787 0 40 FHAB Cc1ccc(-c2cc3nc(CN(C)Cc4ccccc4)cc(=O)n3[nH]2)cc1 33126329 FTHKQPPHLWEDPE-UHFFFAOYSA-N 358.445 3.630 0 40 FHAB O=C(Nc1ccc(F)cc1F)NC1(C(F)(F)F)Oc2ccccc2O1 646258 BZLVAUHFBOZPOZ-UHFFFAOYSA-N 360.238 3.774 0 40 FHAB COc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OC(C)=O 682726 UFVVMJSXLYHLGB-DHDCSXOGSA-N 371.776 3.618 0 40 FHAB O=C(c1ccccc1)N1C[C@H](COc2ccccc2)O[C@@H](c2ccoc2)O1 710004 WFIDAVWEPLDZFJ-TZIWHRDSSA-N 365.385 3.830 0 40 FHAB CCN(CC)C(=O)c1cncc(C(=O)N(CC)CC)c1-c1ccccc1 759029 OXSDAOLJSPHDKO-UHFFFAOYSA-N 353.466 3.713 0 40 FHAB COc1cccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)c1 812059 HESZPYWLLKYZKZ-UHFFFAOYSA-N 366.373 3.801 0 40 FHAB O=C(OCC(=O)c1cccs1)c1ccc(NC(=O)c2ccco2)cc1 816287 QLKBZLGMZRBXFM-UHFFFAOYSA-N 355.371 3.633 0 40 FHAB aggregator Cc1cccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4O)cc3C2=O)c1 1085689 CFZMRUGSSKQKHA-UHFFFAOYSA-N 372.380 3.754 0 40 FHAB O=S(=O)(NCC[C@@H](c1ccc(F)cc1)c1ccco1)c1ccccc1 1251782 SAMQDOBRDGVNQR-SFHVURJKSA-N 359.422 3.919 0 40 FHAB CC(C)N(C(=O)C[C@@H]1ON(C)C(=O)N1c1ccc(Cl)cc1)C(C)C 1394437 ZJSPJZXRWZLMGQ-INIZCTEOSA-N 353.850 3.505 0 40 FHAB O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Br)cc2)N1 1510854 FPBHUDMWBLCBLN-HZPDHXFCSA-N 371.234 3.619 0 40 FHAB biogenic COC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)SCc1ccccc1 1715397 TZMGLXYKSPKAOD-QGZVFWFLSA-N 357.475 3.670 0 40 FHAB CCCCCn1c(=O)c(C(=O)Nc2cccnc2)c(O)c2ccccc21 2291119 BBUJMCUNWPBHIU-UHFFFAOYSA-N 351.406 3.545 0 40 FHAB COc1ccc(C(=O)COc2cc(C)cc3oc(=O)c(C)c(C)c23)cc1 2358537 QUXVFCUTVSXFRZ-UHFFFAOYSA-N 352.386 3.989 0 40 FHAB biogenic COc1ccccc1CN1CCC[C@@H](C(=O)N(C)Cc2ccccc2)C1 2734543 YKJYYASDIHRSQI-HXUWFJFHSA-N 352.478 3.566 0 40 FHAB O=C(Nc1ccc(F)cc1F)c1ccn(COc2ccc(F)cc2F)n1 2787314 BLTHBKACKHNRIZ-UHFFFAOYSA-N 365.286 3.728 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)N1CCN(c2ccc(F)cc2)CC1 3333446 WRMUAGLPXKOFDP-UHFFFAOYSA-N 351.425 3.588 0 40 FHAB Cc1ccc(-c2csc3ncnc(N4CCC(C(=O)O)CC4)c23)cc1 3358753 QAOITRZHDGXBQK-UHFFFAOYSA-N 353.447 3.968 0 40 FHAB O=C(COC(=O)c1cccc(Cl)c1Cl)Nc1cccnc1Cl 3500462 MYOMVZVTQPRMKN-UHFFFAOYSA-N 359.596 3.837 0 40 FHAB CCc1ccc(S(=O)(=O)c2cn(CC)c3ccc(C)cc3c2=O)cc1 4193364 SGOPBXXYVRHNOK-UHFFFAOYSA-N 355.459 3.725 0 40 FHAB CCCCc1ccc(NC(=O)CSc2nc3nc(C)cc(C)n3n2)cc1 4523858 WNOBNGUCEYKARO-UHFFFAOYSA-N 369.494 3.815 0 40 FHAB CCCC(=O)Oc1ccc([C@H]2NC(=O)c3ccccc3O2)cc1OCC 4997904 ANPPPZSFBVRZDJ-FQEVSTJZSA-N 355.390 3.612 0 40 FHAB O=C(COC(=O)c1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 5112290 MUCJUQVEYIQAEG-UHFFFAOYSA-N 366.291 3.516 0 40 FHAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccc(F)cc2Cl)c1C 5134908 UYVMJPWYJKRPKQ-UHFFFAOYSA-N 357.790 3.595 0 40 FHAB Cc1ccc(CN(C)C(=O)CSc2nnc(C3CC3)n2C2CC2)cc1 5401170 DQAKMQNMCCVEDO-UHFFFAOYSA-N 356.495 3.550 0 40 FHAB CCCCc1nc2sc3c(NCCCN)ncnc3c2c2c1CCC2 5422522 XLIJQRFJJHEZJX-UHFFFAOYSA-N 355.511 3.832 0 40 FHAB C[C@@H](OC(=O)c1csc2c1CCCC2)C(=O)Nc1ccc(Cl)cn1 5968480 IOWBOGLDCODGAH-SNVBAGLBSA-N 364.854 3.859 0 40 FHAB Cc1cc(C)c(OCC(=O)Nc2ccc(N3CCOCC3)cc2)c(Cl)c1 6043969 PSSHFMPIOXYBST-UHFFFAOYSA-N 374.868 3.811 0 40 FHAB Cc1ccc(OCc2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2)cc1 6479678 UNPVRUFLSQCWDM-UHFFFAOYSA-N 360.413 3.925 0 40 FHAB CCOc1cccc(C(=O)Nc2ccc(-c3nn4cnnc4s3)cc2)c1 6596043 FOTDVAZZBXIGGW-UHFFFAOYSA-N 365.418 3.504 0 40 FHAB COc1ccc(C(C)=O)cc1CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O 6628105 MDQVNTSMDSHSKB-ZSEKCTLFSA-N 372.465 3.535 0 40 FHAB Cc1cccn2c(=O)c3cc(C(=O)N[C@@H]4CCCC[C@@H]4C)sc3nc12 6861292 WVOJMJPXIGLIFK-SMDDNHRTSA-N 355.463 3.526 0 40 FHAB C[C@@H](OC(=O)c1ccc(O)cc1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 7164913 SXQQZCJBQRROGC-CYBMUJFWSA-N 369.417 3.805 0 40 FHAB C[C@@H](NC(=O)CN(C)Cc1ccc(Br)cc1)c1cccs1 7443570 ITNSNKCYIFUVNK-GFCCVEGCSA-N 367.312 3.820 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(Cc2ccc(C)cc2)C1 7655467 IDNWPVRAWXUXPF-HNNXBMFYSA-N 372.852 3.644 0 40 FHAB CCc1cc(Br)ccc1NC(=O)COC(=O)c1cccs1 7939940 AMFDJCBASQLCAR-UHFFFAOYSA-N 368.252 3.869 0 40 FHAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1 7939996 KLSPHSLUGSBVMH-UHFFFAOYSA-N 369.417 3.603 0 40 FHAB CN(CCCNC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1 8747013 QMSANIUVVPBUDH-UHFFFAOYSA-N 365.521 3.929 0 40 FHAB CS(=O)(=O)c1cccc(NC(=O)CCCc2c[nH]c3ccccc23)c1 8772464 CKTHIZSIXQGKDF-UHFFFAOYSA-N 356.447 3.533 0 40 FHAB O=C(NC[C@H](c1ccco1)N1CCCC1)C1=Cc2cc(Cl)ccc2OC1 9054262 OXCNCWMGSDXSLY-QGZVFWFLSA-N 372.852 3.662 0 40 FHAB Cc1ccc(-n2cnnc2SCC(=O)N2CCCC[C@H]2C)cc1Cl 9366208 LJPKMUYRFIUIJB-CYBMUJFWSA-N 364.902 3.722 0 40 FHAB COc1ccc(-c2nnc(CSc3nc(N)c4ccsc4n3)o2)cc1 9737277 ZBXGOQHQVSQDEH-UHFFFAOYSA-N 371.447 3.624 0 40 FHAB O=C(/C=C/c1cc(Cl)cc(Cl)c1)Nc1cccc(-n2cnnn2)c1 10447938 CFXVGJBHUSIWGQ-SNAWJCMRSA-N 360.204 3.621 0 40 FHAB Cc1nc2ccc(C(=O)NC[C@H](c3ccc(F)cc3)N(C)C)cc2s1 12198440 URRGYKPVCTVHSS-QGZVFWFLSA-N 357.454 3.777 0 40 FHAB CC(=O)N1c2ccc(NC(=O)C[C@@H](C)n3nc(C)c(C)c3C)cc2C[C@@H]1C 12204355 GZOQTBMACPZHID-QWHCGFSZSA-N 368.481 3.696 0 40 FHAB CCn1nnc2cc(C(=O)OCc3nc(-c4ccccc4)oc3C)ccc21 12254508 PAFBXTICZWIFRJ-UHFFFAOYSA-N 362.389 3.772 0 40 FHAB Cc1cccc(-c2cc(C[C@@]3(C(=O)O)CCCN(C(=O)C(C)C)C3)on2)c1 12366471 OJNDTCPENARMDL-NRFANRHFSA-N 370.449 3.542 0 40 FHAB Cc1c(Cl)cccc1NC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21 12913788 DDLSJQMPOGWVMF-CYBMUJFWSA-N 358.825 3.791 0 40 FHAB O=C(CNc1ccc(F)c(F)c1F)Nc1cc2c(cc1Cl)OCCO2 13015490 ZKDXYKFNPNKCRN-UHFFFAOYSA-N 372.730 3.579 0 40 FHAB CCCC1=C(C(=O)OCC)[C@H](c2c[nH]c3ccccc23)n2nc(C)nc2N1 14163461 ZHFQCYLYUHAGBA-SFHVURJKSA-N 365.437 3.700 0 40 FHAB O[C@@H]1C[C@@H](c2nc(Cc3ccccc3)no2)N(Cc2ccc(Cl)cc2)C1 15674610 QOUUMFGFKPFFCV-MSOLQXFVSA-N 369.852 3.622 0 40 FHAB biogenic,in-vitro COC(=O)c1ccc(NC(=S)NCCc2c[nH]c3ccc(F)cc23)cc1 17076089 AYXLLJVMEBOBHO-UHFFFAOYSA-N 371.437 3.623 0 40 FHAB CC(C)c1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4cc3N)C2)[nH]n1 19451791 MCJIFFRULOIOIR-OAHLLOKOSA-N 363.465 3.683 0 40 FHAB CC(C)c1nccn1CCC(=O)N1CCC[C@H](c2cc3cccnc3[nH]2)C1 19454461 CCOSODGILULLID-KRWDZBQOSA-N 365.481 3.679 0 40 FHAB CCc1c(C(=O)Nc2ccccc2C)nnn1-c1ccc(OC(F)F)cc1 19911179 JVWQLSHUWNEXCT-UHFFFAOYSA-N 372.375 3.992 0 40 FHAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCCC3=O)cc2)c1 19932595 PDPANODGEMMKPK-QGZVFWFLSA-N 350.462 3.917 0 40 FHAB CCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(OC)cc2)cc1Cl 20030005 NETKVAVLQCOFST-LBPRGKRZSA-N 369.870 3.787 0 40 FHAB COc1ccc(NC(=O)[C@@H]2CC(O)=Nc3c(-c4ccccc4)cnn32)cc1 20714826 GZRLZJKKQJUHQZ-KRWDZBQOSA-N 362.389 3.730 0 40 FHAB COc1ccccc1NC(=O)[C@H]1CC(O)=Nc2cc(-c3ccccc3)nn21 20728850 XGCNIIDFYWQHRZ-MRXNPFEDSA-N 362.389 3.730 0 40 FHAB O=C(Nc1sc2c(c1CN1CCOCC1)CCCC2)c1ccccc1 21486927 BIRXJZGKUSDXSA-UHFFFAOYSA-N 356.491 3.711 0 40 FHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CCN(c3ccccc3F)CC2)c1 22532529 XGXZBNUTHFXVRZ-SFHVURJKSA-N 370.468 3.867 0 40 FHAB CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1cc(C)no1 23076493 GAVUGTHKEYAPGM-MEDUHNTESA-N 364.829 3.524 0 40 FHAB COc1ccc([C@@H](CNC(=O)c2cc(C)c(C)s2)N2CCCC2)cc1 23486421 WIENXRSJEBGZPV-GOSISDBHSA-N 358.507 3.940 0 40 FHAB CCn1cnnc1-c1cccc(NC(=O)c2cc(-c3cccs3)on2)c1 25284006 PMYLXRMMENAEDL-UHFFFAOYSA-N 365.418 3.934 0 40 FHAB COc1cc(CNC[C@H](c2cccc(F)c2)N(C)C)cc(Cl)c1OC 25360355 XYPSACOFKVOBHT-QGZVFWFLSA-N 366.864 3.889 0 40 FHAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)CCC(=O)NC1CC1 26913058 HKLQFHYQMAODCN-MRXNPFEDSA-N 365.477 3.600 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)Nc1cc(C)nn1-c1ccc(F)cc1 28239884 FGEYYXLLEQAGDT-AWEZNQCLSA-N 369.396 3.734 0 40 FHAB O=C(COC(=O)c1ccc(Br)cc1)Nc1cc(F)cc(F)c1 29269431 JRXSONKNCSPURU-UHFFFAOYSA-N 370.149 3.523 0 40 FHAB Cc1cc(C)c(S(=O)(=O)NCc2ccccc2CN2CCCC2)c(C)c1 31075301 LBQKIMKBTAVKSA-UHFFFAOYSA-N 372.534 3.686 0 40 FHAB COc1ccc2c(c1OC)C(=O)O[C@@H]2N1CCC(Cc2ccccc2)CC1 31809311 QVONDTDLCIJBGR-NRFANRHFSA-N 367.445 3.828 0 40 FHAB COC(=O)c1ccc(CN2CCC[C@@H]2c2ccc(OC)c(OC)c2)cc1 36394264 BWDCGBNBKOTYGX-GOSISDBHSA-N 355.434 3.828 0 40 FHAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(Br)cc2)c1 38755827 OGADQGKQQPWVES-LLVKDONJSA-N 350.212 3.864 0 40 FHAB CC(C)C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)O 40266574 UGYKMBHTLJKASA-AWEZNQCLSA-N 366.870 3.622 0 40 FHAB Cc1cnc(NC(=O)Cn2ccc3c(Br)cccc32)s1 40267777 WPZVRFURKRGAFN-UHFFFAOYSA-N 350.241 3.807 0 40 FHAB CCCCC(=O)Nc1ccc(OCc2cc(=O)n3cc(C)sc3n2)cc1 41085614 XQRPRTOAESGRAE-UHFFFAOYSA-N 371.462 3.772 0 40 FHAB O=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl 42646005 DYOZGYUWJVSDIH-UHFFFAOYSA-N 357.624 3.902 0 40 FHAB O=C(c1cccc(I)c1)c1cc(F)c(F)c(F)c1 43210246 DEHJLXJCWINXBB-UHFFFAOYSA-N 362.088 3.940 0 40 FHAB C[C@@H]1c2ccsc2CCN1C(=O)NCCCn1cnc2ccccc21 43857405 JIAKWXNBFQHEIH-CQSZACIVSA-N 354.479 3.817 0 40 FHAB FC(F)(F)c1nnc2sc(-c3ccc(Br)s3)nn12 44917554 AUSYNNPJZCMPOY-UHFFFAOYSA-N 355.164 3.696 0 40 FHAB O=C(NCc1ccc(Cl)s1)N1CCO[C@H](c2ccc(F)cc2)C1 46995708 CAPSWQRBBZTQNH-AWEZNQCLSA-N 354.834 3.824 0 40 FHAB O=C(COCCOc1ccccc1)N[C@H]1CCSc2ccc(F)cc21 48738797 GKKYYMOFIUWOGL-KRWDZBQOSA-N 361.438 3.574 0 40 FHAB O=C(NCCc1c[nH]c2cc(F)ccc12)C1(c2ccccc2)CCOCC1 50766049 JVTRTLBJRRRQPN-UHFFFAOYSA-N 366.436 3.714 0 40 FHAB C[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc(Oc2ccncc2)cc1 50805963 CAHCSJFDFLJPCS-CYBMUJFWSA-N 367.430 3.692 0 40 FHAB C[C@H](C(=O)Nc1ncc(Cc2ccc(F)c(F)c2F)s1)n1ccnc1 53281221 ZACFQDIVZHALAM-SECBINFHSA-N 366.368 3.547 0 40 FHAB COc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc(OC)c1C 53357161 PHIASSCLBNHAHZ-QGZVFWFLSA-N 365.433 3.866 0 40 FHAB O=C(c1cccc(Cl)c1)N1CCCN(c2ncnc3sccc23)CC1 57141595 FZHKFZQFVHTQML-UHFFFAOYSA-N 372.881 3.697 0 40 FHAB O=C(Nc1ccccc1OC1CCCC1)[C@H]1CCCN(C(=O)C2CC2)C1 58165968 FOGUUALCNOMYDT-INIZCTEOSA-N 356.466 3.595 0 40 FHAB C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCCc1nccn1C(F)F 58247337 DGVAUKPPDSSNGY-CYBMUJFWSA-N 365.424 3.702 0 40 FHAB Cc1cc(C)cc(NC(=O)C(=O)NCCOc2ccc3ccccc3c2)c1 59417438 SZWILMWXKBXBJQ-UHFFFAOYSA-N 362.429 3.590 0 40 FHAB O=C(CN1CCCN(CC2CCCCC2)CC1)Nc1cccc(Cl)c1 59424788 YRPBHTVWUNLART-UHFFFAOYSA-N 363.933 3.867 0 40 FHAB Cc1cc(C(=O)NC(C)C)ccc1NCC(=O)Nc1cccc(Cl)c1 60459035 NZOKGPGEEBZXIT-UHFFFAOYSA-N 359.857 3.837 0 40 FHAB O=C(CCc1ccccc1F)NCc1nc(-c2cccc(Cl)c2)no1 62512425 QUIKGLXCTSDSFD-UHFFFAOYSA-N 359.788 3.778 0 40 FHAB Cc1[nH]c2ccc(CNC(=O)N(C)Cc3ccc4c(c3)OCO4)cc2c1C 65696106 YMRXADVWTAIPNX-UHFFFAOYSA-N 365.433 3.855 0 40 FHAB CN(C[C@H]1CCCO1)C(=O)Nc1ccccc1CN1CCc2ccccc21 69034681 VNKLGWXEKXWRAG-LJQANCHMSA-N 365.477 3.892 0 40 FHAB CN(C)C(=O)CN1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1 72349533 GZOHGWJNHSMZMP-UHFFFAOYSA-N 371.912 3.593 0 40 FHAB COc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3cccnc3)C2)c1 72358579 KHIREWVLUXHSMH-LJQANCHMSA-N 360.461 3.927 0 40 FHAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccc(Cl)cc1)c1ccncc1 72396947 LMDJWTGFZIGENZ-GOSISDBHSA-N 366.852 3.787 0 40 FHAB CC(=O)c1cccc(NC(=O)N(CCO)[C@H]2CCCc3ccccc32)c1 75612958 FUGALFAOKKHDTQ-FQEVSTJZSA-N 352.434 3.793 0 40 FHAB CC(C)(C)OC(=O)NC[C@@H]1CCCN1c1ccnc(-c2ccccc2)n1 78968016 LIKPGVJSMJFQFJ-INIZCTEOSA-N 354.454 3.637 0 40 FHAB O=C1CSc2ccc(C(=O)N[C@@H](c3ccccc3)C(F)(F)F)cc2N1 84522081 HBMYXSITGMIIBT-HNNXBMFYSA-N 366.364 3.764 0 40 FHAB CC(C)OCCCSc1nc2ccccc2c(=O)n1Cc1cccnc1 95349685 GNCFGDIIJONEMK-UHFFFAOYSA-N 369.490 3.747 0 40 FHAB c1cc2cc(CN3C[C@H]4CC[C@@H]3CN(Cc3cscn3)C4)ccc2o1 95378603 SHCJHUBUXFZFKY-QFBILLFUSA-N 353.491 3.986 0 40 FHAB O=S(=O)(Nc1nnc(-c2ccccc2)o1)c1cccc(Cl)c1Cl 95944003 OMGTUPDCACSDCX-UHFFFAOYSA-N 370.217 3.844 0 40 FHAB NC(=O)[C@H](Sc1ccc(O)cc1)c1ccc(Br)cc1F 95961163 PFDLAKBQPAWQAB-CYBMUJFWSA-N 356.216 3.613 0 40 FHAB COc1cc(Br)ccc1CNc1cccc(-c2ncn(C)n2)c1 96009188 SWLQXVPIWYOFAB-UHFFFAOYSA-N 373.254 3.865 0 40 FHAB CC(C)(C)c1ccc(C(=O)NCC(=O)N[C@H]2CCCc3sccc32)cc1 97147937 VSNVMKSRHQNLKM-KRWDZBQOSA-N 370.518 3.969 0 40 FHAB COCCn1ncc2ccc(NC(=O)/C=C(\C)c3ccccc3F)cc21 98055632 YNRYCEOBBGNBGR-SDNWHVSQSA-N 353.397 3.864 0 40 FHAB CSc1ccc(C(=O)COC(=O)c2cnc(-c3ccccc3)nc2)cc1 107660136 DLYLSFZZSLHVQZ-UHFFFAOYSA-N 364.426 3.905 0 40 FHAB Cc1cc(F)ccc1-c1ccc(CNc2ccc(OCC(N)=O)cc2)o1 156017621 WSCTTWPNUSRZKV-UHFFFAOYSA-N 354.381 3.870 0 40 FHAB CC(C)C[C@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1)c1ccccc1 222421152 BHRRLPOUWFJFSP-IBGZPJMESA-N 374.506 3.600 0 40 FHAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CC 224368469 NGFDNARXFGLGLY-FQEVSTJZSA-N 370.468 3.702 0 40 FHAB COc1ccc(-c2nnc(NC(=O)COc3ccc(C)cc3C)s2)cc1 225356044 GVXIFQNONCOUHY-UHFFFAOYSA-N 369.446 3.848 0 40 FHAB CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCC2)cc1 225607244 AONXWDROEINXHG-OAQYLSRUSA-N 362.514 3.941 0 40 FHAB CCOc1cc(C(N)=O)cc(Cl)c1OC(=O)c1cccc(Cl)c1 226307255 QUNNFDOHHUPQJE-UHFFFAOYSA-N 354.189 3.710 0 40 FHAB Cc1csc(Nc2cc([C@@H]3CCCCN3Cc3cc[nH]n3)nc(C)n2)n1 257204275 ATUDMOXMISEJNS-INIZCTEOSA-N 369.498 3.744 0 40 FHAB Cc1cccnc1Nc1nccnc1C1CCN(Cc2cncs2)CC1 257232760 GMGRRIBTEFHXGH-UHFFFAOYSA-N 366.494 3.760 0 40 FHAB O=C(CC1CCOCC1)N1CCC[C@@H](Cc2ccc3ncccc3c2)C1 257336470 YOPUHFRONHUMRW-IBGZPJMESA-N 352.478 3.833 0 40 FHAB Cc1ccccc1N1C[C@@H](C(=O)NCc2ccc(C(C)C)cc2)CC1=O 408708645 RWZYZPLWKALSAZ-IBGZPJMESA-N 350.462 3.788 0 40 FHAB O=C(Cn1ccs/c1=N\C(=O)c1ccc(Cl)cc1)c1ccccc1 409193453 CXZAVSKBJQFPBE-ZZEZOPTASA-N 356.834 3.827 0 40 FHAB Cc1nc(CN2CCC[C@H]2c2nc3c(n2C)CCCC3)nc2ccccc12 548349574 BUFWULXGVUQLEV-FQEVSTJZSA-N 361.493 3.888 0 40 FHAB C[C@H](Cc1ccccc1Cl)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 560676032 AZKBUNIHMRNNTB-DNVCBOLYSA-N 372.896 3.724 0 40 FHAB O=C(NCc1cccnc1-c1ccsc1)c1ccc(Cn2ccnc2)cc1 585366586 JAFLVEOSUPAQMD-UHFFFAOYSA-N 374.469 3.985 0 40 FHAB Cn1nnc2cc(C(=O)N3CCC[C@@H]3Cc3c(F)cccc3Cl)ccc21 591142854 VYOZNLLFVQIHNL-CYBMUJFWSA-N 372.831 3.608 0 40 FHAB CC(C)N1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)CC1CC1)C2 643575293 BNKYWYVFRNCEER-UXHICEINSA-N 355.526 3.872 0 40 FHAB Oc1cccc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1Cl 645156676 YSVIBCGQCAWFDS-CZUORRHYSA-N 359.775 3.670 0 40 FHAB Cc1cc(NC(=O)N2CCC[C@@H]2c2c(C)cccc2C)c(N(C)C)nn1 667477282 ZPZASUFRIVBZHO-QGZVFWFLSA-N 353.470 3.837 0 40 FHAB C[C@@]1(CNC(=O)c2cccc(NCc3cncs3)c2)CCO[C@H]1C1CC1 1123789623 MVYWMUVKXIWZKI-ICSRJNTNSA-N 371.506 3.690 0 40 FHAB CC(C)(C)c1ccc(N2CCN(c3ncccc3C(F)(F)F)CC2)nn1 1163641120 CIWOQLJZGAGYIP-UHFFFAOYSA-N 365.403 3.515 0 40 FHAB Cc1ccc2c(c1)C(=O)O[C@@](C)(C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1)C2 1624211450 PHEQUMOBPPUEGM-KKLQWCBXSA-N 363.457 3.919 0 40 FHAB CC(C)SCc1nnc2sc(-c3ccc(Br)o3)nn12 1775972290 SGUZOIJCBUNPKX-UHFFFAOYSA-N 359.274 3.850 0 40 FHAB COc1ccc(C(=O)NC[C@@H](O)c2ccc(-c3ccco3)s2)cc1F 1888963701 RLTBBWDMDCZCER-CYBMUJFWSA-N 361.394 3.619 0 40 FHAB Cn1nccc1-c1ccc(CCNC(=O)NCc2ccc(Cl)cc2)cc1 1889299859 BBWUWXOSOZSQJV-UHFFFAOYSA-N 368.868 3.782 0 40 FHAB Cc1cc(Br)ccc1NC(=O)COC(=O)c1ccccc1C 646912 PUCQDXYCIQRXRI-UHFFFAOYSA-N 362.223 3.861 0 40 FHAB CCn1cc(/C=C/C(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)cn1 656759 KVMYVXFOMDCWAW-ZHACJKMWSA-N 363.465 3.725 0 40 FHAB Cc1nnc(SCC(=O)N(C2CCCCC2)C2CCCCC2)n1C 1104783 PHXFUPZUGRASBP-UHFFFAOYSA-N 350.532 3.710 0 40 FHAB Cc1cc2ncn(C3=CC(=O)N(c4ccccc4Cl)C3=O)c2cc1C 1459455 XAWYXNXQOTWAFA-UHFFFAOYSA-N 351.793 3.721 0 40 FHAB CCOc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)n3nc(N)nc3N2)cc1 2374869 XRXWNGQBTQIXHY-DLBZAZTESA-N 353.401 3.544 0 40 FHAB CCCNC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 2485391 GSTOPPZOLGDLGH-UHFFFAOYSA-N 361.414 3.842 0 40 FHAB Cc1nn(CCc2nnc([C@H](C)n3ncc(Cl)c3C)o2)c(C)c1Cl 2788235 MSDIAWWVFLIHAS-NSHDSACASA-N 369.256 3.547 0 40 FHAB CC(C)CCNC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1 3446752 KJJHLXWVOLLXKR-UHFFFAOYSA-N 351.874 3.857 0 40 FHAB O=C(Nc1cccc2ccccc12)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4374187 HXDOMMHHDNEFLS-MRXNPFEDSA-N 363.392 3.906 0 40 FHAB Cc1[nH]c(SCc2cc(=O)n3ccsc3n2)nc1Cc1ccccc1 4492425 YPHPJPAGKLICJY-UHFFFAOYSA-N 368.487 3.671 0 40 FHAB O=C([C@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCc2ccccc2C1 4746197 ZZXDFSHHBHAVRL-FQEVSTJZSA-N 352.453 3.623 0 40 FHAB O=C(Nc1nc(SC23CC4CC(CC(C4)C2)C3)ns1)[C@@H]1CCCO1 4751724 MSOHLKKUKYHUQI-RQYMUSGFSA-N 365.524 3.717 0 40 FHAB Cc1ccc(C(=O)OCC(=O)Nc2ncc(Cl)c(C)c2Cl)s1 5110796 IRSSTMJXUCMVQJ-UHFFFAOYSA-N 359.234 3.862 0 40 FHAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(Cl)cn3)n2)cc1 5210813 VTVCCEPTXURRNV-UHFFFAOYSA-N 359.842 3.559 0 40 FHAB CCOC(=O)[C@](CCCO[C@@H]1CCCCO1)(C(=O)CC)c1ccccc1 5395478 ATTJIMONXCEURB-CTNGQTDRSA-N 362.466 3.790 0 40 FHAB O=C(/C=C/c1ccc2c(c1)OCO2)OCC(=O)C12CC3CC(CC(C3)C1)C2 5705671 LVISNQLNKDZVDQ-DUXPYHPUSA-N 368.429 3.757 0 40 FHAB COc1ccc(CC(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)cc1 6608284 KEFYPQWPCVNDSJ-UHFFFAOYSA-N 352.386 3.704 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccccc1OC 8040627 QYSAXUSTSZAZCI-KRWDZBQOSA-N 370.449 3.631 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 8277399 HVKDFWZTBVWHBO-KBXCAEBGSA-N 362.901 3.887 0 40 FHAB O=C(Nc1nc2ccccc2[nH]1)c1ccc(Cn2nnc3ccccc32)cc1 8746266 FHDQHOYBIFJXFJ-UHFFFAOYSA-N 368.400 3.608 0 40 FHAB O=C(Cc1ccc(F)cc1)Nc1nnc(CCCOc2ccccc2)s1 9227176 LVIPQCWOHXZJOF-UHFFFAOYSA-N 371.437 3.870 0 40 FHAB CC(C)Oc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1Cl 9424293 UCLXRLNEBYJPSM-YVLHZVERSA-N 370.861 3.898 0 40 FHAB CCn1c(SCC(=O)Nc2cccc(O)c2)nnc1-c1ccccc1F 9426835 GCMPBJLRLLMMDZ-UHFFFAOYSA-N 372.425 3.541 0 40 FHAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9863834 VGIDCKGQDFLQRJ-MRXNPFEDSA-N 367.401 3.554 0 40 FHAB COc1ccc(CN[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cn1 10185660 FLYPHYWHYGVNCL-FQEVSTJZSA-N 365.408 3.699 0 40 FHAB CCn1c(=O)n(CCC(=O)Nc2c(C)cc(C)cc2C)c2ccccc21 10404571 FOABGEJCMHEWPP-UHFFFAOYSA-N 351.450 3.777 0 40 FHAB Cc1ccc(NC(=O)c2ccc(Cn3cncn3)cc2)c(Br)c1 10816865 PMEBEUVDCGXLPY-UHFFFAOYSA-N 371.238 3.650 0 40 FHAB Cc1ccc(OCC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc1 10901994 PUOQOKUFLFCDJO-UHFFFAOYSA-N 363.461 3.552 0 40 FHAB COc1cc(C)c(N[C@@H](C)C(=O)c2ccc(NC(C)=O)cc2)cc1OC 12606171 ZTRAUZOBDZPFHY-ZDUSSCGKSA-N 356.422 3.654 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)N1CCn2cccc2[C@H]1c1ccccc1 12887934 JFGNOGGZINATQM-HSZRJFAPSA-N 374.440 3.781 0 40 FHAB Cc1nc2ccccc2c(=O)n1[C@H](C)C(=O)Nc1ccc(Cl)cc1F 13009657 URJWRKWHRKIRDT-SNVBAGLBSA-N 359.788 3.697 0 40 FHAB COc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c(OC)c1 14095361 NWORCXCZHHMPEG-UHFFFAOYSA-N 355.390 3.998 0 40 FHAB Cc1ccc(NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)c(O)c1 14112380 CEKPDNIRHLESCW-UHFFFAOYSA-N 351.402 3.995 0 40 FHAB CCc1cccc(CC)c1NC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)OC 14240240 ACYZFTHYVKYYLX-UHFFFAOYSA-N 370.449 3.618 0 40 FHAB COc1ccc(CC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 14566738 QUAMIEPBOZFUIQ-UHFFFAOYSA-N 352.434 3.503 0 40 FHAB O=S(=O)(NCCCOC1CCCCC1)c1ccc2c(c1)CCCC2 15359821 XQZYUCMAPACOGJ-UHFFFAOYSA-N 351.512 3.583 0 40 FHAB COc1ccccc1CNC(=O)c1cccc(OCc2cscn2)c1 16706382 AIFSVTUCVJQQFE-UHFFFAOYSA-N 354.431 3.661 0 40 FHAB O=C(NCc1ccccc1Cl)C(=O)Nc1nc(-c2ccccc2)cs1 17043018 DHRHRERSBQTDSK-UHFFFAOYSA-N 371.849 3.718 0 40 FHAB Cc1ccsc1CN(CCCN1CCOCC1)Cc1ccc(F)cc1 19238573 QUEGWZFCULVJQP-UHFFFAOYSA-N 362.514 3.920 0 40 FHAB C[C@@H](CC(=O)N1CCCC[C@H]1CCN1CCCC1)n1cnc2ccccc21 19455281 PNNRPLQSUTUBNO-OALUTQOASA-N 368.525 3.854 0 40 FHAB CCCCOc1ccc(NC(=O)CN2CCN(C3CCCCC3)CC2)cc1 19502292 XVTJNUWCPNAEFJ-UHFFFAOYSA-N 373.541 3.754 0 40 FHAB COc1ccc(CCCNC(=O)c2cc(-c3cccs3)on2)cc1OC 19560600 KICHKBBBVKZHBZ-UHFFFAOYSA-N 372.446 3.783 0 40 FHAB C[C@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)Cc1ccccc1 19575463 VAOWUJCJUYJEEW-CYBMUJFWSA-N 361.367 3.803 0 40 FHAB CCc1nc2c(cnn2-c2ccc(C)cc2)c(=O)n1-c1ccc(C)c(F)c1 19908733 XFOUZMURDHALPH-UHFFFAOYSA-N 362.408 3.890 0 40 FHAB COc1ccc(S(=O)(=O)n2cc(C)nc2-c2ccccc2)c(C)c1C 19943796 AUWDHFYZXWXMHL-UHFFFAOYSA-N 356.447 3.721 0 40 FHAB O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCCC1 20218732 WCVSBRXUABWRGC-UHFFFAOYSA-N 361.795 3.593 0 40 FHAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](C)c1cc2ccccc2o1 21933465 AOWHHXUVAOFMMO-UGSOOPFHSA-N 354.406 3.658 0 40 FHAB COC(=O)CCNC(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1 23193227 SVHZYNPREYYFNB-UHFFFAOYSA-N 364.401 3.610 0 40 FHAB COC(=O)c1ccccc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 24100850 VODWMEFCYQJPPO-ZHACJKMWSA-N 351.811 3.539 0 40 FHAB CC[C@H](OC(=O)CCOc1ccccc1C)C(=O)Nc1ccc(F)cc1 24964028 GRHYPZGRSSZYJF-KRWDZBQOSA-N 359.397 3.864 0 40 FHAB O=C(NCCc1ccc(Cl)cc1)NCc1cccc(NC(=O)C2CC2)c1 24968840 ALCJYBRLRPACLQ-UHFFFAOYSA-N 371.868 3.730 0 40 FHAB O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NC[C@H]1CCCO1 24986705 DKBSKWQBVJLCRO-GFCCVEGCSA-N 369.248 3.876 0 40 FHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@@H]1CCCc2c1cnn2C 24991754 XYNJSTPXFUZEJP-CYBMUJFWSA-N 374.510 3.582 0 40 FHAB Cc1ccc(SCCNC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)cc1C 26680542 MUFCTNJUUULVEN-SFHVURJKSA-N 374.506 3.559 0 40 FHAB O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@H]1c1nnc2ccccn12 31499620 YFTJNFQNDWLJIN-IBGZPJMESA-N 373.460 3.897 0 40 FHAB CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccc4[nH]ccc4c3)cc2C1=O 32097189 QHXHCESIDXNBMZ-UHFFFAOYSA-N 361.401 3.672 0 40 FHAB CC(=O)c1ccccc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 32892167 NGRUPMNXOGBYGJ-UHFFFAOYSA-N 368.477 3.550 0 40 FHAB O=C(NCc1nc2ccccc2s1)c1ccn(-c2ccc(F)cc2)n1 32913845 GINMNLROAJZWCG-UHFFFAOYSA-N 352.394 3.551 0 40 FHAB Cc1cc2cc3c(N)c(C(=O)NC[C@H]4CCCO4)sc3nc2cc1C 35313149 OEBVRYFUBPHSSP-CYBMUJFWSA-N 355.463 3.557 0 40 FHAB COc1cc(NC(=O)c2cc(C(C)C)nc3onc(C)c23)cc(OC)c1 36360746 SPWNYIBWGCFCAN-UHFFFAOYSA-N 355.394 3.924 0 40 FHAB COC(=O)c1cc(-c2ccc(OC(F)F)cc2)nc2c(Cl)c(C)nn12 36615685 BBKNSUKIGBMMRN-UHFFFAOYSA-N 367.739 3.746 0 40 FHAB Cc1ccc(NC(=O)C[C@@H]2C(=O)N(C3CC3)c3nc4ccccc4n32)c(C)c1 39964150 JMYZECZQDZRGTR-LJQANCHMSA-N 374.444 3.732 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc21 40015942 LVGIWUXYBVVNQP-RBUKOAKNSA-N 370.880 3.898 0 40 FHAB CN(CCOc1ccc(F)cc1)C(=O)c1cccc(OC[C@H]2CCCO2)c1 40047186 DULRQJLDGHFWED-HXUWFJFHSA-N 373.424 3.535 0 40 FHAB Cc1nc(C)c(-c2nnc(NC(=O)c3ccc(OC(C)C)cc3)o2)s1 41097845 XKSZVMWCZQODIH-UHFFFAOYSA-N 358.423 3.849 0 40 FHAB C[C@H]1CCCC[C@@H]1OCCNC(=O)Nc1cccc(N2CCCCC2=O)c1 46008387 VXJYOTIVCYYXMS-LPHOPBHVSA-N 373.497 3.920 0 40 FHAB COc1ccc(OCCNC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 46085619 DOGVGGSVHPBSNK-AWEZNQCLSA-N 363.841 3.620 0 40 FHAB O=c1cc(CN2CCN(c3ccccc3)CC2)c2cc3c(cc2o1)CCC3 54105974 PYWCVCLMGVRJIF-UHFFFAOYSA-N 360.457 3.604 0 40 FHAB biogenic O=C(CCc1ccccc1O)NCC1(c2ccc(Cl)cc2)CCOCC1 55761826 HJEHBBUOXQSNIZ-UHFFFAOYSA-N 373.880 3.843 0 40 FHAB C[C@H](Sc1ccccc1Cl)C(=O)N(CCO)Cc1ccsc1 58202247 POCVVEUGNJRGAI-LBPRGKRZSA-N 355.912 3.903 0 40 FHAB CCCS(=O)(=O)Nc1cccc(NC(=O)Cc2ccccc2C)c1C 58226810 FQCWUBZHNNZCMO-UHFFFAOYSA-N 360.479 3.636 0 40 FHAB CCC(CC)NC(=O)CNC1(c2cccc(Br)c2)CCC1 58292252 BJUWTJSLNKBDAW-UHFFFAOYSA-N 353.304 3.723 0 40 FHAB COc1ccc(-c2nc(CCNC(=O)Nc3ccc(F)c(F)c3)co2)cc1 58310448 LUAFNFRZBKZXGY-UHFFFAOYSA-N 373.359 3.993 0 40 FHAB CC(C)(C)c1noc(CS(=O)(=O)Cc2ccc(Cl)cc2Cl)n1 58936582 NEXDAEJLPQEVAT-UHFFFAOYSA-N 363.266 3.789 0 40 FHAB O=C(OCc1cn2ccccc2n1)c1cccnc1Nc1ccccc1F 60695405 NLCLHPCSAOBGRC-UHFFFAOYSA-N 362.364 3.969 0 40 FHAB O=C(COc1ccccc1F)N(CCc1ccccc1)Cc1ccccn1 62017895 PLQNQZZOOXMZMF-UHFFFAOYSA-N 364.420 3.871 0 40 FHAB CO[C@H](C(=O)NCCc1cc(Br)ccc1F)c1ccccc1 68514436 HXCIZOYVGGFRQY-INIZCTEOSA-N 366.230 3.635 0 40 FHAB Cc1ccc(-c2nc(CS(=O)(=O)C[C@H](O)c3ccccc3)co2)c(C)c1 69348443 ATDNITCTLHQQHT-IBGZPJMESA-N 371.458 3.607 0 40 FHAB CCCCCN(C(=O)c1cccc(S(=O)(=O)NC(C)(C)C)c1)C(C)C 70038254 HFPGQDYBOMOLQU-UHFFFAOYSA-N 368.543 3.804 0 40 FHAB Cc1ccc(C)c2sc(N(C)CC(=O)NCCc3ccc(F)cc3)nc12 70973967 DAWLAALJJYRFNS-UHFFFAOYSA-N 371.481 3.847 0 40 FHAB Cc1nc(-c2ccncc2)sc1C(=O)N1CCO[C@@H](c2ccccc2)C1 71285328 MDQQOBHDSVKGFO-QGZVFWFLSA-N 365.458 3.727 0 40 FHAB CC[C@@H](C)[C@H](C(=O)NCc1ccccc1F)N1Cc2ccccc2C1=O 71334374 YMYVRKIYLOMDRH-AUUYWEPGSA-N 354.425 3.513 0 40 FHAB Cc1noc(C)c1-c1nc(N[C@@H](C)c2cccnc2)ncc1-c1cnccn1 72337515 ZBUYPFDDFCPDKI-LBPRGKRZSA-N 373.420 3.774 0 40 FHAB CCOc1ccc(CN2CCN(c3ncnc4c(C)cccc34)CC2)cc1 79112681 JHDRZWZSPKIGFA-UHFFFAOYSA-N 362.477 3.659 0 40 FHAB COc1ccc(NC(=O)COc2ccc(-c3ccccc3)nc2)cc1OC 95455639 NDMCMVGWSFLSII-UHFFFAOYSA-N 364.401 3.783 0 40 FHAB CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)Nc2ccc(C(C)C)cc2)C1 95998962 SNRBTRLZQJSAQE-INIZCTEOSA-N 369.469 3.903 0 40 FHAB O=C(CN1CC=C(c2cncc3ccccc23)CC1)N1CCc2ccccc21 96012868 XDCWITLOIUYOSA-UHFFFAOYSA-N 369.468 3.913 0 40 FHAB Fc1cccc(CN2CCC[C@@]3(C[C@H](CNc4ccncc4)CO3)C2)c1 96075778 JDTZOSNZFMVBSC-WIYYLYMNSA-N 355.457 3.704 0 40 FHAB O=C(NCc1cccs1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 96096599 SIGVPJLJAGCSDV-UHFFFAOYSA-N 374.491 3.949 0 40 FHAB OC1=C2C(=Nc3ncnn3[C@H]2c2cccnc2)C[C@@H](c2ccc(F)cc2)C1 102588661 QUMQXKKJFWOELJ-KUHUBIRLSA-N 361.380 3.877 0 40 FHAB CN(C)[C@H](CNC(=S)N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1c(F)cccc1Cl 102971712 RADUOTONZMWTEX-CZPYZCIJSA-N 369.937 3.735 0 40 FHAB CN(C(=O)C1(c2ccc(F)cc2)CCOCC1)c1nc2ccccc2o1 105366222 YZUSTGUNXAPEIG-UHFFFAOYSA-N 354.381 3.678 0 40 FHAB CCOC(=O)Nc1cccc(OCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 106539453 GDTNLMMTWOTBAS-LLDVTBCESA-N 360.454 3.575 0 40 FHAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H]2CCN(C)C2)cc1 110652581 CFFDLIUTPFXBLE-GOSISDBHSA-N 374.488 3.529 0 40 FHAB Nc1cccc(S[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)c1 113560514 QNBDNCCTKXJALC-CQSZACIVSA-N 367.257 4.000 0 40 FHAB Cc1c(Cl)cccc1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C 222430316 HQRUEHADWYKJIQ-UHFFFAOYSA-N 366.870 3.605 0 40 FHAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222718726 YGEUKADJCBNEJS-GDBMZVCRSA-N 371.433 3.501 0 40 FHAB CC(C)CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1 222764040 JOGXFCVQVURRCN-LJQANCHMSA-N 366.505 3.809 0 40 FHAB CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1ccc(C)cc1 222821595 GVLNHZKUMJIEMG-HNNXBMFYSA-N 358.869 3.702 0 40 FHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 225007776 CLSDNCYBGVGXRJ-IBGZPJMESA-N 374.868 3.973 0 40 FHAB O=C1CCCN1c1cccc(NC(=S)NCCCc2ccccc2)c1 225386014 OSTDDAHPAKTQBA-UHFFFAOYSA-N 353.491 3.733 0 40 FHAB O=C(Nc1cccc(OC(F)F)c1)c1ccc(O[C@@H]2CCSC2)nc1 225715757 XKZHAUWEYWTDIU-CQSZACIVSA-N 366.389 3.820 0 40 FHAB C[C@@H]1CCCN(CCCNC(=S)Nc2ccc(Br)cc2)C1 225735634 UPXLUBHQGJAPOU-CYBMUJFWSA-N 370.360 3.858 0 40 FHAB Cc1cc(C)c(OCC(=O)n2nnc3ccccc32)c(Br)c1 226359713 KARMVGGLKOTLMN-UHFFFAOYSA-N 360.211 3.530 0 40 FHAB COc1cccc(CC(=O)N2C[C@H]3[C@@H](Oc4ccccc4F)CC[C@H]3C2)c1 257263457 LPZKYSORAIBMBK-HQRMLTQVSA-N 369.436 3.693 0 40 FHAB CCCC(=O)N1CCC(Cc2cccc(-c3ccccc3)c2)(C(N)=O)CC1 257267333 MGVMJTJAXFGZDB-UHFFFAOYSA-N 364.489 3.790 0 40 FHAB Cc1nc(CN2[C@H](c3ccc(F)cc3)C[C@]3(C)NC(=O)CCCC[C@H]23)co1 257313854 UUJVGRAMOWTROK-ZJOUEHCJSA-N 371.456 3.887 0 40 FHAB Cc1cc([C@H]2CCCN2Cc2cnn(-c3ccccc3C(=O)O)c2)ccn1 257344546 ZXSPRRZTYTXSSL-LJQANCHMSA-N 362.433 3.611 0 40 FHAB COc1c(F)c(F)c(C(=O)Nc2ccc3oc(=O)ccc3c2)c(F)c1F 408623984 WBVXCRNKURRRQP-UHFFFAOYSA-N 367.254 3.610 0 40 FHAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3ccccc3)C(=O)[C@H]2C1 408675149 ACGCJARYJHVROS-WMZOPIPTSA-N 360.413 3.785 0 40 FHAB COc1cccc(C[C@]2(C(=O)N[C@@H](C)[C@@H]3CCCOC3)C[C@H]3CC[C@H]2C3)c1 504891624 KKVCGVWQRKPKDE-DERWQMDGSA-N 371.521 3.975 0 40 FHAB Cc1ccccc1C[C@H]1CCCN1CC(=O)N[C@H]1CCOc2ccccc21 514181563 BGXPVEVDYQEIQN-CTNGQTDRSA-N 364.489 3.642 0 40 FHAB Cc1c(Cl)cccc1S(=O)(=O)NCc1ccc(-c2ccoc2)nc1 575414379 HJRTWQBFGLLJEG-UHFFFAOYSA-N 362.838 3.782 0 40 FHAB C[C@@H]1c2ccccc2OCCN1c1nc(-c2cccnc2)nc2c1CCC2 676080066 OVFZPVNQSBDDOT-OAHLLOKOSA-N 358.445 3.987 0 40 FHAB Cn1c([C@@H]2CCCN2C(=O)c2coc(C3CCC3)n2)nc2ccccc21 683442434 XNUHDINFCMYBTA-KRWDZBQOSA-N 350.422 3.806 0 40 FHAB CC(C)(Cc1nc2ccccc2[nH]1)C(=O)N[C@H]1COc2cc(F)cc(F)c21 684929724 RNIUTCKUFJPBBG-HNNXBMFYSA-N 371.387 3.660 0 40 FHAB COc1cc(C(=O)Cc2nc3cc(Cl)ccc3o2)cc(OC)c1OC 1775976020 IGMOXTQSAYNVQW-UHFFFAOYSA-N 361.781 3.932 0 40 FHAB O=C1CO[C@@]2(CCCN(C3CCCCCC3)C2)CN1c1ccc(F)cc1 2037850087 SHJQAVQHIDRGBA-OAQYLSRUSA-N 360.473 3.746 0 40 FHAB CO[C@]1(COc2ccccc2)CCCN(C(=O)Cc2ccccc2C)C1 2037908854 AOMALSUDUNMZAT-JOCHJYFZSA-N 353.462 3.624 0 40 FHAB CO[C@@]1(COc2ccccc2)CCCN(C(=O)c2cc(F)ccc2F)C1 2037915995 FVEBBSDVGVVWQX-FQEVSTJZSA-N 361.388 3.665 0 40 FHAB Cc1ccc(C(=O)N/C(=C/c2ccccc2F)C(=O)N2CCCCC2)cc1 721799 XRVHNEQMVUTWJG-HMMYKYKNSA-N 366.436 3.918 0 40 FHAB COc1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(OC)c1 794454 UPROUKSJEMZXGJ-UHFFFAOYSA-N 360.435 3.568 0 40 FHAB O=C(CCN1C(=O)c2ccccc2C1=O)Oc1ccc(Cl)c(Cl)c1 842373 RVQLLBPVDSWLIU-UHFFFAOYSA-N 364.184 3.585 0 40 FHAB Cc1cc(C)c(NC(=O)[C@H](C)Sc2nnnn2-c2ccccc2)c(C)c1 1049882 HQHFDXNQCYGMDQ-HNNXBMFYSA-N 367.478 3.707 0 40 FHAB Cc1cc(OCc2ccc(C(=O)O)cc2)c2c3c(c(=O)oc2c1)CCC3 1797601 NAYZPNUIOBPTDH-UHFFFAOYSA-N 350.370 3.867 0 40 FHAB biogenic CC(=O)Nc1cccc(-c2nnc(SCc3ccccc3F)n2C)c1 2201351 LMFHMFSZCWPNOA-UHFFFAOYSA-N 356.426 3.872 0 40 FHAB CN(C)CCCNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 2890595 RPOBRJCJRZVLDJ-UHFFFAOYSA-N 351.425 3.722 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)COc1ncnc2sc3c(c12)CCCC3 3318008 FJGOHWGAETWPLZ-TZMCWYRMSA-N 359.495 3.644 0 40 FHAB COc1ccc(C)cc1NC(=O)CSc1nnc(C)n1-c1ccccc1 3409887 ZECNJCVLHMUELJ-UHFFFAOYSA-N 368.462 3.624 0 40 FHAB Cc1cc2nnc(SCC(=O)N3C[C@@H](C)C[C@H](C)C3)n2c2ccccc12 3496061 HWHAKVKPFMTPSD-KBPBESRZSA-N 368.506 3.788 0 40 FHAB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc1 4066272 IECONGJAZOYYLQ-OESLAJAZSA-N 372.465 3.691 0 40 FHAB Cc1ccc(C(=O)Oc2coc(CSc3nccc(C)n3)cc2=O)cc1 4377173 HUEHDGRMUXYTPD-UHFFFAOYSA-N 368.414 3.558 0 40 FHAB Cc1ccc2sc(NC(=O)c3cccc(S(C)(=O)=O)c3)nc2c1C 4517927 LOMFGRCRZCXFLV-UHFFFAOYSA-N 360.460 3.569 0 40 FHAB CCN1CCN(c2ccc(NC(=O)c3ccc(OC)c(Cl)c3)cc2)CC1 4738625 DSLAAQLFYGTBLI-UHFFFAOYSA-N 373.884 3.743 0 40 FHAB CCCCOc1nc2ccccc2nc1NS(=O)(=O)c1cccc(C)c1 5030197 YLUOBGGJDHFHSH-UHFFFAOYSA-N 371.462 3.918 0 40 FHAB CCN(C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)c1ccccc1 5141110 AJSTVODUTBONBP-UHFFFAOYSA-N 361.445 3.790 0 40 FHAB CCc1ccc2oc(C(=O)Nc3ccc(NC(C)=O)cc3)cc(=O)c2c1 5345284 FUWQRHIYKSLXLY-UHFFFAOYSA-N 350.374 3.566 0 40 FHAB Cc1nc2sccn2c1C(=S)NC(=O)C12CC3CC(CC(C3)C1)C2 5695462 RWIIKVXNIIEXHZ-UHFFFAOYSA-N 359.520 3.712 0 40 FHAB COC[C@H](C)NC(=O)CSc1ncnc2sc(-c3ccccc3)cc12 6170876 OWLPYRJWFAVURP-LBPRGKRZSA-N 373.503 3.602 0 40 FHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1cc(C(C)C)ccc1O 6346293 VXZCTKHAHZEZGJ-UHFFFAOYSA-N 374.462 3.660 0 40 FHAB C[C@H](NC(=O)c1ccccc1Br)c1ccc(-n2cncn2)cc1 6540890 WPAMDGADYFXMIN-LBPRGKRZSA-N 371.238 3.521 0 40 FHAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)N1CCCCCC1 6549819 HSJKXIBYHRMPIR-UHFFFAOYSA-N 356.495 3.639 0 40 FHAB Cc1ccn2c(=O)cc(CSc3ncnc4sc(C)c(C)c34)nc2c1 6605345 GJGLFQMDVHLYGH-UHFFFAOYSA-N 368.487 3.917 0 40 FHAB CCCCCC(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCCCC2 6851812 GTGFKOLKJPOBOE-UHFFFAOYSA-N 367.540 3.509 0 40 FHAB O=C(CN1CCC[C@H]1c1cccs1)NCCc1c[nH]c2ccccc12 7443332 DQMHPUYEBJPPDQ-SFHVURJKSA-N 353.491 3.725 0 40 FHAB O=C(COC(=O)[C@@H]1CC=CCC1)N[C@H](c1ccccc1)c1cccs1 7468320 WCUQDDIHCLSRQZ-VQIMIIECSA-N 355.459 3.853 0 40 FHAB COCCn1c([C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)nc2ccccc21 7543976 YCEGPYKMCMHANJ-KRWDZBQOSA-N 363.461 3.820 0 40 FHAB O=C1N[C@@H](c2ccc3c(c2)OCO3)Nc2scc(-c3ccccc3)c21 7660696 JTLSJISWXRVIQM-QGZVFWFLSA-N 350.399 3.998 0 40 FHAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 7708284 UJXGAVKNYFAXEH-UHFFFAOYSA-N 364.854 3.576 0 40 FHAB COC(=O)Cn1c(SCc2ccccc2Cl)nc2ccccc2c1=O 7753099 QPEVENRLRVSLJU-UHFFFAOYSA-N 374.849 3.515 0 40 FHAB COCc1ccc(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc1 7824149 VZMSAHNRJLJHDF-UHFFFAOYSA-N 363.461 3.625 0 40 FHAB COC(=O)c1ccc(OCc2cc(Br)ccc2OC)cc1 7897380 FWBJMGKYJVHWMD-UHFFFAOYSA-N 351.196 3.823 0 40 FHAB C[C@@H]1CCc2sc(-c3nnc(SC[C@H]4CCOCO4)o3)cc2C1 8071338 NYBGYQQPRSAAPU-ZYHUDNBSSA-N 352.481 3.778 0 40 FHAB O=C(NC1CCCC1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 8185398 NCPDCFGWBIYBDC-UHFFFAOYSA-N 356.491 3.924 0 40 FHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc2ccccc2o1 8328309 XCTLNRMVRXCWKD-UHFFFAOYSA-N 358.344 3.812 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1 8519599 MVOSAUPZLIGJSY-UHFFFAOYSA-N 369.490 3.618 0 40 FHAB Cn1c(Cc2ccccc2)nnc1SCCCOc1ccccc1C=O 8731722 LZPLPMBOKBQBSD-UHFFFAOYSA-N 367.474 3.780 0 40 FHAB Cc1cc(C(=O)CSc2nnnn2C(C)C)c(C)n1Cc1ccccc1 8982897 YENBPYQBEHFWPS-UHFFFAOYSA-N 369.494 3.696 0 40 FHAB COc1cccc(NC(=O)c2nnc3c(-c4ccccc4)c(C)nn3c2C)c1 9225432 JROOQYKMNVNYLH-UHFFFAOYSA-N 373.416 3.669 0 40 FHAB CC(C)(C)N(C(=O)c1ccc(Br)o1)C(=O)N1CCCCC1 10254427 FPTLWNZXCTZDIB-UHFFFAOYSA-N 357.248 3.889 0 40 FHAB Cc1ccc(-n2ccnc2N2CCN(C(=O)/C=C\c3ccccc3)CC2)cc1 11027476 HYUFOULDSFDSLT-XFXZXTDPSA-N 372.472 3.543 0 40 FHAB CCOc1ccc(NC(=O)Nc2c(C)nc3ccc(Cl)cn3c2=O)cc1 11694597 HPUYPSXONYPYSS-UHFFFAOYSA-N 372.812 3.699 0 40 FHAB Cc1cc(C)c(NCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c(Cl)c1 11723520 FAFBGRZTAZMTKV-UHFFFAOYSA-N 371.868 3.900 0 40 FHAB O=C(Cc1nc2ccccc2[nH]1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 12221920 GYALBOLCMWTMIJ-SFHVURJKSA-N 359.433 3.736 0 40 FHAB COc1ccc(CC(=O)OCc2cc(-c3ccc(C)cc3)on2)cc1OC 12236673 QOMADFRWMKCYTH-UHFFFAOYSA-N 367.401 3.953 0 40 FHAB O=C(COc1ccc(CNC2(c3cccc(F)c3)CC2)cc1)N1CCCC1 12238763 XVEGHGKOOIFZKL-UHFFFAOYSA-N 368.452 3.606 0 40 FHAB CC(C)(C)c1ccc(NC(=O)c2cc(-n3cnnn3)ccc2Cl)cc1 12410023 RIIRZMPZCAYDEQ-UHFFFAOYSA-N 355.829 3.866 0 40 FHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@H](C)c2ccccc2Cl)c1 12598799 GJUZVZPYLITNHQ-LLVKDONJSA-N 373.840 3.748 0 40 FHAB Cc1cc(C)c(NC(=O)CCn2cnc3sccc3c2=O)c(Cl)c1 12822526 FDFNSWIPTUOBPP-UHFFFAOYSA-N 361.854 3.757 0 40 FHAB CC(C)(C)NC(=O)Cn1cc(C(=O)COc2ccccc2)c2ccccc21 14135932 NFVZHZGHBXAIKM-UHFFFAOYSA-N 364.445 3.818 0 40 FHAB O=C(Nc1ccccc1O)C1CCN(Cc2nc3ccccc3s2)CC1 15045426 KJULPUIVMUOEEN-UHFFFAOYSA-N 367.474 3.853 0 40 FHAB Cc1nc2cc(NC(=O)COc3ccc4c(C)cc(=O)oc4c3)ccc2o1 15542444 OKFVBKBPYBUBSH-UHFFFAOYSA-N 364.357 3.569 0 40 FHAB Cn1cc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2cccc(F)c2)n1 19290082 NHUWTWZQPGAEBV-LJQANCHMSA-N 364.424 3.989 0 40 FHAB CC(C)c1ccc(-c2nc(CC(=O)N3CCC[C@@H](C(=O)O)C3)cs2)cc1 20729791 QMTNKJAVXKOFDP-MRXNPFEDSA-N 372.490 3.799 0 40 FHAB COc1ccccc1C1(CNC(=O)COc2ccccc2F)CCCC1 21692428 CNZZDKHGKSHOSR-UHFFFAOYSA-N 357.425 3.841 0 40 FHAB CCOc1cc(CNCCN(C)C)cc(Cl)c1OCc1ccccc1 22075639 WURYQQXAPNJPJG-UHFFFAOYSA-N 362.901 3.969 0 40 FHAB CCOc1ccc2c(c1)c(=O)c(C(=O)NCCC1=CCCCC1)cn2C 22237099 SPNCJBKHAFSPKS-UHFFFAOYSA-N 354.450 3.558 0 40 FHAB CCc1nc2ccc(NS(=O)(=O)c3cc(F)ccc3OC)cc2s1 22255251 DJDMONSHGMOSSV-UHFFFAOYSA-N 366.439 3.807 0 40 FHAB Cc1cc(C(=O)O[C@H](C)c2nnc(-c3ccccc3)o2)c2c(C)noc2n1 22613496 CVVDUOGDUAXGIF-GFCCVEGCSA-N 364.361 3.808 0 40 FHAB O=C(/C=C/c1cccs1)N1CCN(Cc2nc3ccccc3s2)CC1 24529270 IHTLWMNOHVRXJL-BQYQJAHWSA-N 369.515 3.715 0 40 FHAB Fc1ccc(CN2CCCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1 25075697 XFIUUAOFABYBEO-UHFFFAOYSA-N 364.468 3.719 0 40 FHAB C[C@@H](NCc1ccccc1Br)c1ccc(-n2cncn2)cc1 25364505 AWIUYBYNAZFIGB-CYBMUJFWSA-N 357.255 3.881 0 40 FHAB CC(C)c1ccc(CN2CCN(C[C@H](O)c3ccccc3F)CC2)cc1 26904524 WDZCBGGQBDLGOU-QFIPXVFZSA-N 356.485 3.800 0 40 FHAB O=C(NCCOc1ccccc1F)N[C@@H](c1ccccc1)c1ccccn1 29728146 FRYUOOCSTMHYRR-FQEVSTJZSA-N 365.408 3.688 0 40 FHAB CC(=O)N1CCc2cc(C(=O)Nc3ccc(Br)c(C)c3)ccc21 31333947 BNNBTKDQGLNUSK-UHFFFAOYSA-N 373.250 3.919 0 40 FHAB C[C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccoc3)C2)c2ccccc21 31780911 GREVSENSXIYJEE-CVEARBPZSA-N 352.434 3.672 0 40 FHAB O=C(O)c1cc(F)ccc1NS(=O)(=O)c1cc(Cl)sc1Cl 32718983 ARBUAQWNVCPAMC-UHFFFAOYSA-N 370.210 3.693 0 40 FHAB COc1c(C)c2c(c(O)c1C/C=C(\C)CCC[C@@H](C)C(=O)O)C(=O)OC2 35466162 QPRODDKTRBCFPV-JATZPVMKSA-N 362.422 3.759 0 40 FHAB biogenic,in-vitro Cc1cc(C(=O)NCc2ccco2)c2c(C)nn(-c3ccc(F)cc3)c2n1 36616311 JLRCYBFOMBVRTR-UHFFFAOYSA-N 364.380 3.699 0 40 FHAB O=C(NCC1(c2cccs2)CCOCC1)c1cc(-c2ccccc2)on1 38940115 JQCTYUXQGXXLTR-UHFFFAOYSA-N 368.458 3.881 0 40 FHAB O=C(CCCc1cccs1)N1CCC(C(=O)N2CCCCCC2)CC1 39985529 QQMKDIZSTSYYLM-UHFFFAOYSA-N 362.539 3.712 0 40 FHAB C[C@@H]1CCC[C@H](NC(=O)[C@@H](C)N2CCO[C@H](c3ccc(F)cc3)C2)[C@@H]1C 40060998 PNKNKOHTAWTGAW-KACZPEKHSA-N 362.489 3.528 0 40 FHAB O=C(CCNC(=O)c1ccccc1)N[C@@H](c1ccc(F)cc1)C1CCCC1 40117361 BLXCWKIXBTUBLM-OAQYLSRUSA-N 368.452 3.993 0 40 FHAB CCCNC(=O)c1ccc(NC(=O)[C@H]2Cc3ccc(C)cc3S2)cc1 40156889 YDCCVJCYYDWRIM-GOSISDBHSA-N 354.475 3.790 0 40 FHAB C[C@@H]1CCCN(C[C@H](O)COCC(c2ccccc2)c2ccccc2)C1 40373214 XNXJVORMCRDQEW-KNQAVFIVSA-N 353.506 3.928 0 40 FHAB Cn1ccnc1COc1ccc(NC(=O)[C@@]2(C)CC2(Cl)Cl)cc1 42735293 NSPFNVMVRHDKGU-OAHLLOKOSA-N 354.237 3.522 0 40 FHAB Cc1cc(Br)oc1C(=O)N(C)Cc1cnn(-c2ccccc2)c1 44366877 DURZFFORKMRKRM-UHFFFAOYSA-N 374.238 3.808 0 40 FHAB CS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2)c(Cl)c1 44883494 BJXJCVICMYZLGK-UHFFFAOYSA-N 359.234 3.617 0 40 FHAB Cc1noc(C)c1[C@@H]1SCC(O)=Nc2c1c(C)nn2-c1ccccn1 44919912 FILDBMBPRDVQEQ-INIZCTEOSA-N 355.423 3.605 0 40 FHAB O=C(OCc1coc(-c2cccs2)n1)c1cccnc1N1CCCC1 48263997 LSBPXRYYTPKHHF-UHFFFAOYSA-N 355.419 3.755 0 40 FHAB COc1ccc2c(=O)c(C(=O)N(C)Cc3c(F)cccc3Cl)c[nH]c2c1 48272470 WYXRRKDKMWNEDM-UHFFFAOYSA-N 374.799 3.601 0 40 FHAB COC(=O)C[C@H](NC(=O)c1ccc(COC(C)C)cc1)c1ccccc1 48288565 FOEDWUYYICZDLL-IBGZPJMESA-N 355.434 3.646 0 40 FHAB O=C(NCc1cccnc1Oc1cccc(F)c1)c1cccc2cn[nH]c12 48312252 ZPTSAQHVXHEUJI-UHFFFAOYSA-N 362.364 3.819 0 40 FHAB CCOC(=O)c1c(NCCc2ccccc2)c2cccc(C)c2[nH]c1=O 49001440 DTZJNUZAVDLGSN-UHFFFAOYSA-N 350.418 3.668 0 40 FHAB CCOc1cccc2cc(C(=O)Nc3nnc(-c4csc(C)n4)o3)oc12 49029270 BCMNMZHNSYAHPG-UHFFFAOYSA-N 370.390 3.899 0 40 FHAB COCCN[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 57999868 HYAYHKSPYUKJLE-MRXNPFEDSA-N 353.249 3.909 0 40 FHAB COCC(=O)Nc1ccc(NC(=O)N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 58162776 FFELXQALUPKUFV-BMGDILEWSA-N 361.486 3.854 0 40 FHAB CN(C)c1cccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 58339266 PQCOEOCGPSGASC-GOSISDBHSA-N 352.434 3.501 0 40 FHAB Cc1cc(C)c2c(OCC(=O)Nc3ccc(C(C)C)cc3)nn(C)c2n1 58402455 ZSYNHWQXZQPBFB-UHFFFAOYSA-N 352.438 3.726 0 40 FHAB CC1(C)C[C@@H](NC(=O)NC(C)(C)C)C[C@](C)(CNC(=O)NC(C)(C)C)C1 59461410 FKYQCOPNELIKSR-VLIAUNLRSA-N 368.566 3.767 0 40 FHAB CCN(CC)Cc1cccc(NC(=O)c2ccc3c(c2)nc(C)n3C)c1 60295610 CSZTUFFNVRUAME-UHFFFAOYSA-N 350.466 3.976 0 40 FHAB NC(=O)NCc1ccc(C(=O)Oc2ccc(Cl)c3ccccc23)cc1 69569338 NGCLGWCZCXNJDS-UHFFFAOYSA-N 354.793 3.881 0 40 FHAB c1cncc(-c2nc(N3CCCCC3)ncc2-c2ccc3c(c2)OCO3)c1 72339501 UPSVSODZAAVCCT-UHFFFAOYSA-N 360.417 3.925 0 40 FHAB Cc1cc(Nc2cc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nc(C)n2)[nH]n1 72360836 HWOOULQAXDYAJH-AWEZNQCLSA-N 372.473 3.675 0 40 FHAB C[C@@H]1CCN(C(=O)COc2ccc3c(c2)CCC(=O)N3)[C@@H](c2ccco2)C1 75389036 ROVXEUKTNQQSOD-RDTXWAMCSA-N 368.433 3.543 0 40 FHAB C=CC(=O)Nc1ccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)cc1 77580110 UGPSWICYPSJCJZ-MRXNPFEDSA-N 356.422 3.917 0 40 FHAB Cc1cc(C)c(CNc2ccc3cccc(Br)c3n2)c(=O)[nH]1 79092109 CGNVCLFPFVORTN-UHFFFAOYSA-N 358.239 3.915 0 40 FHAB COC(=O)[C@H](CC(C)C)NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344993 FFMUFXUJFDUASY-ILXRZTDVSA-N 358.265 3.801 0 40 FHAB COc1ccc(Br)c(CC(=O)Oc2ccc(C)cc2OC)c1 84146195 OAVYMPSTZAIHLY-UHFFFAOYSA-N 365.223 3.923 0 40 FHAB CC(C)n1ccc2c(NC(=O)c3nn(C)c(=O)c4ccccc34)cccc21 95477576 DACTUPYSOPPPHS-UHFFFAOYSA-N 360.417 3.721 0 40 FHAB COc1ccccc1OC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 95951160 YBWAFIXNYVIEDG-UHFFFAOYSA-N 364.279 3.983 0 40 FHAB O=C(CC1CCOCC1)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 96001311 FTIWGBLQYYBVBR-SFHVURJKSA-N 369.465 3.997 0 40 FHAB CCOC[C@H]1CCC2(CCN(C(=O)c3cc4ccccc4o3)CC2)N1C 96207372 SPXFAZONNNJCLV-QGZVFWFLSA-N 356.466 3.538 0 40 FHAB CNC(=O)C[C@H]1CC2(CCN(C(=O)c3ccsc3)CC2)c2ccccc21 96241892 OOAFSLBWDNENBA-INIZCTEOSA-N 368.502 3.546 0 40 FHAB C[C@@H](NC(=O)C1CCCCC1)c1c(-c2ccc(F)cc2)noc1C(=O)O 96296851 QIGSFNYOENIMIG-LLVKDONJSA-N 360.385 3.936 0 40 FHAB biogenic,in-vitro C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cnn(C(F)F)c1 96999872 WSSHUGMZTDLPDN-ZETCQYMHSA-N 350.152 3.991 0 40 FHAB C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C[C@@H]2CC=CCC2)CC1 97032698 YKHCHROYKLOODG-QZTJIDSGSA-N 352.482 3.772 0 40 FHAB C[C@H](Sc1nnc(-c2ccccc2)[nH]1)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 106521037 IOKGMHQBCWMZAL-JBJRXJHCSA-N 370.522 3.893 0 40 FHAB COc1ccc(C(=O)N2CCO[C@@H](c3nccs3)C2)c2ccccc12 110877686 IPZICPRLQJJWPL-QGZVFWFLSA-N 354.431 3.519 0 40 FHAB C[C@@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 123300428 MULSOMSXPSGJAM-NOUUYJAESA-N 364.526 3.698 0 40 FHAB O=S(=O)(NCC[C@H](CCO)c1ccccc1)c1cccc2ccccc12 206627162 MEELRLUESTVOMJ-GOSISDBHSA-N 369.486 3.674 0 40 FHAB CC(C)N1C(=O)S/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)C1=O 208531623 JEGHAYVGCWNPBG-XNTDXEJSSA-N 356.403 3.620 0 40 FHAB CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(C)C 223346442 QMDJKRIIHUADOK-FQEVSTJZSA-N 352.478 3.939 0 40 FHAB COC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 224447700 JNVJZRZEYGVSBM-CQSZACIVSA-N 353.418 3.758 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)NCCOc1ccccc1Cl 224615770 HKGZOVKBWZRGCL-OAHLLOKOSA-N 351.805 3.832 0 40 FHAB O=S(=O)(NC[C@H](O)c1csc2ccccc12)c1ccccc1Cl 225695759 CRDSKEXJGGQIHO-AWEZNQCLSA-N 367.879 3.567 0 40 FHAB O=C(c1ccccn1)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257213377 CHHQBAOCTKJYKR-GOSISDBHSA-N 351.381 3.777 0 40 FHAB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(Cl)c1O[C@@H](C)CC 409250542 QZICVNBNTNQKDB-LUHPIMIVSA-N 366.845 3.829 0 40 FHAB Cc1c(C(=O)NCc2cncc(-c3ccco3)c2)cnn1-c1ccccc1 575618772 OONCBAKMUOUGTK-UHFFFAOYSA-N 358.401 3.766 0 40 FHAB CC(C)n1ncc2c(C(=O)O)cc(/C=C/c3cn(C)nc3C(F)F)nc21 582907349 CGHVIDDAEGMDBS-SNAWJCMRSA-N 361.352 3.552 0 40 FHAB C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cncc(N3CCCC3=O)c2)C1 625872075 JOEXTODBWZVXJW-LIRRHRJNSA-N 367.424 3.571 0 40 FHAB Cn1cccc1[C@@H]1CCCCN1C(=O)c1cn(-c2ccccc2Cl)nn1 673722231 VITJHJWGLKHVKC-SFHVURJKSA-N 369.856 3.627 0 40 FHAB CC(C)C(C)(C)C(=O)N1CCC[C@@H](N(C)C(=O)c2occ3c2CCC3)C1 1615059093 ZXQVTWBTHYAHJD-MRXNPFEDSA-N 360.498 3.514 0 40 FHAB Cc1ocnc1C(=O)N1CCC[C@]12CN(c1cccc(F)c1)C(C)(C)C2 1615152658 BPIRPCBHHGDLAT-FQEVSTJZSA-N 357.429 3.786 0 40 FHAB c1ccc(-c2cc(OCC3CCN(Cc4cccnc4)CC3)ncn2)cc1 1775971715 TWEDCPVWIAUPOE-UHFFFAOYSA-N 360.461 3.830 0 40 FHAB Cc1nccc(N2CCC[C@@H](c3nnc(-c4ccccc4F)s3)C2)n1 1888901038 NZVFOYJBBZITJM-CYBMUJFWSA-N 355.442 3.827 0 40 FHAB CCOc1ccc(-n2nnc(C(=O)Nc3ccc(CC)cc3)c2C)cc1 2713308 WHQGTCZEHUHUTE-UHFFFAOYSA-N 350.422 3.789 0 40 FHAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1c[nH]cc1-c1ccc(Cl)s1 84310583 MELGYOSWEKGTQP-ZDUSSCGKSA-N 360.870 3.938 0 40 FHAB CC(C)c1ccc(-c2nc(CSc3nc(N)cc(=O)[nH]3)cs2)cc1 8897104 JBHGRAIVIRAHAY-UHFFFAOYSA-N 358.492 3.891 0 40 FHAB COc1cc(N[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc(OC)c1 79111543 CQYCUHNFWSOQPV-MRXNPFEDSA-N 358.413 3.560 0 40 FHAB CCOC(=O)c1sc(NC(=O)COc2ccc(Cl)c(C)c2)nc1C 4038936 RPXFGHDNUQGRNY-UHFFFAOYSA-N 368.842 3.608 0 40 FHAB COc1ccc(-c2nc(CN(C)Cc3cc(C)on3)cs2)c(OC)c1 42132316 IPRSFBYMKOYTLV-UHFFFAOYSA-N 359.451 3.756 0 40 FHAB CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@H]1c1ccc(OC)cc1OC 4910059 FAZDYVBBMFUSGG-LJQANCHMSA-N 367.405 3.642 0 40 FHAB CC(C)c1ccc(OCC(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1 7759598 FXUCUCOFSNDSQO-UHFFFAOYSA-N 365.433 3.897 0 40 FHAB O=C(Nc1ccc(F)c(F)c1)c1ccccc1I 834210 ZIZZVHLBUVESDZ-UHFFFAOYSA-N 359.113 3.822 0 40 FHAB CC(C)COc1ccc(C(=O)O[C@@H]2CC(C)(C)OC[C@H]2CN(C)C)cc1 826070 SSALKHAQQLSWJX-IEBWSBKVSA-N 363.498 3.624 0 40 FHAB COc1cc(C(=O)Nc2cc(C)ccn2)ccc1OCc1c(C)noc1C 12515321 VILFUNKUPILSOK-UHFFFAOYSA-N 367.405 3.835 0 40 FHAB Cc1cc(O[C@H](C)C(=O)NCCCN2CCCCC2)cc(C)c1Cl 10279906 ASBUBCLQKBQXEF-MRXNPFEDSA-N 352.906 3.716 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c(C)c1 10328090 HQBSHAAQBYFMGD-KRWDZBQOSA-N 374.506 3.713 0 40 FHAB COc1ccc(-c2noc(COC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)n2)cc1OC 104869529 JXMFXQKEOLGTGZ-KCQAQPDRSA-N 372.421 3.623 0 40 FHAB CC1CCN(CCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 10540998 ISUKIUWGXLYXGD-SFHVURJKSA-N 360.542 3.990 0 40 FHAB CC(C)c1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1 24045460 UURVWAQQQUHUMU-OAQYLSRUSA-N 352.478 3.613 0 40 FHAB C[C@H](NC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1cccc(F)c1 24629635 CWESTAWEPHAHKP-JTQLQIEISA-N 369.223 3.740 0 40 FHAB C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc3c4c(cccc24)CC3)C[C@@H](C)O1 25408760 ZVAAMMZUONRVCF-HZPDHXFCSA-N 366.505 3.556 0 40 FHAB O=C(OCC(=O)N1CCCc2ccccc21)c1cc2ccccc2cc1O 3246970 IGNDFNHTDPLOBM-UHFFFAOYSA-N 361.397 3.682 0 40 FHAB Cc1cc(C(=O)N2CCC(N(C)c3ccccc3)CC2)c2c(C)noc2n1 57089625 MDCHURWJBYLVEY-UHFFFAOYSA-N 364.449 3.581 0 40 FHAB Cc1cc(OCC(=O)Nc2c(C)cccc2C)nc(N2CCCCCC2)n1 44170009 HHLHUAWIKHACAQ-UHFFFAOYSA-N 368.481 3.800 0 40 FHAB Cc1cc(Br)cc(C)c1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100397602 SUWDGXUJCJKDOO-SJJUBHFPSA-N 372.262 3.623 0 40 FHAB COc1cc(C)ccc1OS(=O)(=O)c1ccccc1OC(F)(F)F 23393474 QVEWZNJVYSCESN-UHFFFAOYSA-N 362.325 3.670 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2)C1 59227306 YZNUIEFPDAVTNB-CYBMUJFWSA-N 358.825 3.649 0 40 FHAB Cc1cc(C)cc(OCCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1 48286393 ZIYGOEOTVCXYFD-UHFFFAOYSA-N 363.461 3.917 0 40 FHAB O=C(NCc1ccc(-c2ccn[nH]2)cc1)c1csc(-c2ccco2)n1 58100743 AKWSCNUAAWMITA-UHFFFAOYSA-N 350.403 3.723 0 40 FHAB COC(=O)c1ccc(CNC(=O)c2ccc(-c3ccccc3)nc2C)cc1 12752897 IIMLQFPXQQYHGG-UHFFFAOYSA-N 360.413 3.774 0 40 FHAB CC(C)(NC(=O)CSc1ccc(F)cc1)c1ccc2c(c1)OCCO2 58148173 VQZULTPYLRQNAC-UHFFFAOYSA-N 361.438 3.741 0 40 FHAB Cc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)c(F)c1 12786680 WQFKTHAHVGCNOA-UHFFFAOYSA-N 354.425 3.933 0 40 FHAB CC1(C)CC(=O)c2c(nc(NC[C@@H]3CCCO3)nc2Nc2ccccc2)C1 10339434 FCSGGAIIXMJFHC-HNNXBMFYSA-N 366.465 3.966 0 40 FHAB O=C1N(Cc2ccccc2)c2ccccc2[C@]1(O)c1c[nH]c2ccccc12 2204745 UGLZBVXEMIODHZ-QHCPKHFHSA-N 354.409 3.951 0 40 FHAB CCCc1nnc(S)n1CC(=O)N[C@@H](c1cccs1)C1CCCC1 36390534 MKCCEBVNRHZMGK-MRXNPFEDSA-N 364.540 3.629 0 40 FHAB COc1ccc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1OC(F)F 12807240 QMYKUDNULYWPLI-OAHLLOKOSA-N 369.751 3.892 0 40 FHAB COc1cc(C)ccc1OCC(=O)OCC(=O)c1c(C)cc(C)cc1C 3443594 RXEZPTFSNQYDGC-UHFFFAOYSA-N 356.418 3.734 0 40 FHAB CCOc1ccc(NC(=O)CSc2nc(C)cs2)cc1OCC 3406982 YRUOKFGFKUAYFO-UHFFFAOYSA-N 352.481 3.980 0 40 FHAB CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(C)oc2C)cc1 12930637 AWTWPJGDFXFFGN-UHFFFAOYSA-N 364.467 3.569 0 40 FHAB C[C@H]1CN(c2ccc(Nc3nccc(C(F)(F)F)n3)cc2)C[C@H](C)O1 64550284 FECPBYSBMQGLPI-RYUDHWBXSA-N 352.360 3.853 0 40 FHAB O=C1Nc2ccccc2[C@@]12Oc1ccccc1[C@H]1CC(c3ccco3)=NN12 4263980 BEZSJOPYXMZJRL-DYESRHJHSA-N 357.369 3.628 0 40 FHAB Cc1sc2ncnc(Sc3nnc(-c4ccncc4)n3C)c2c1C 14138577 LFQNTKMLYHTPNJ-UHFFFAOYSA-N 354.464 3.650 0 40 FHAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1ccccc1 6549898 CBBCHTIYGIHXPX-UHFFFAOYSA-N 350.447 3.876 0 40 FHAB Cc1ccccc1Cn1c(=O)n(-c2cccc(F)c2)c(=O)c2sccc21 67258248 PPYCFDPQVTVHCH-UHFFFAOYSA-N 366.417 3.710 0 40 FHAB COc1ccc(CC(=O)N[C@H](C)c2cc3ccccc3o2)c(OC)c1OC 7116510 SKBUTOYFWNZOOE-CYBMUJFWSA-N 369.417 3.879 0 40 FHAB CC(C)n1nc(C(=O)N(C)Cc2ccccc2Cl)c2ccccc2c1=O 15650013 UELOOBPGEKQKQR-UHFFFAOYSA-N 369.852 3.903 0 40 FHAB COCCn1c(-c2ccc3c(c2)OCCO3)cs/c1=N\c1ccccc1 7983078 GOECSTIVPABBCT-MRCUWXFGSA-N 368.458 3.867 0 40 FHAB CC(=O)c1cc2c(cc1NC(=O)COc1cc(C)ccc1Cl)OCO2 8393620 BPBYWMNAHJWHKX-UHFFFAOYSA-N 361.781 3.597 0 40 FHAB CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]2Cc2ccccc2)cn1 69950552 MXBBXUXDBAEYEG-FQEVSTJZSA-N 366.509 3.845 0 40 FHAB CCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(CC)cc2)cc1 21596406 FZIPMCDHUNGACY-UHFFFAOYSA-N 355.463 3.724 0 40 FHAB CNC(=O)[C@@H]1CCCN(C(=O)N[C@H](CC(C)C)c2ccc(Cl)cc2)C1 74483883 WWWKUDUTKRVINL-NVXWUHKLSA-N 365.905 3.595 0 40 FHAB O=C(COC(=O)c1ccccc1)Nc1ccc(Cl)c(Br)c1 409198827 FTABMEHVTKKGAT-UHFFFAOYSA-N 368.614 3.898 0 40 FHAB Cc1ccc(C(=O)Nc2ccc(I)cn2)c(Cl)c1 171534174 SJZRSJJAZSPDRS-UHFFFAOYSA-N 372.593 3.900 0 40 FHAB CCc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCCC3)c(O)n2n1 22853007 JJMVGKCJYSCCEM-AWEZNQCLSA-N 364.421 3.522 0 40 FHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 408681181 PTWNLPYSBQNCHL-FQEVSTJZSA-N 372.896 3.842 0 40 FHAB COc1cc(NC(=O)C2(c3ccccc3)CCOCC2)c2ncccc2c1 38490491 BGRHUECDWRHTSH-UHFFFAOYSA-N 362.429 3.930 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)c2ccccc12 32601649 POTOJALKNHSJEB-UHFFFAOYSA-N 371.414 3.738 0 40 FHAB Cc1ccsc1[C@H](O)CNC(=O)COc1ccc(Cl)cc1Cl 70635684 VFNXBSKJDHIZPV-GFCCVEGCSA-N 360.262 3.592 0 40 FHAB Cn1ncc2c1NC(=O)C[C@@H]2c1ccc(OCc2ccc(F)cc2)cc1 66091715 PSQWDNYRUDQULY-QGZVFWFLSA-N 351.381 3.612 0 40 FHAB O=C(N[C@H](c1ccccc1)c1ccccn1)c1cc2ccccc2oc1=O 36716724 ROUIGFAFJQVLQZ-HXUWFJFHSA-N 356.381 3.707 0 40 FHAB COCCCN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)Nc1ccccc1 1565520255 PSGQJSOZTMUQGG-QUCCMNQESA-N 359.514 3.822 0 40 FHAB biogenic Cc1ccc(C)c(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)c1 219076583 CLJKXIINJXVVES-INIZCTEOSA-N 365.433 3.779 0 40 FHAB C[C@]1(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)CC1(Cl)Cl 42522871 MLBKGSDSNUXNHR-CQSZACIVSA-N 363.672 3.699 0 40 FHAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1ccc(Br)cc1 225744654 XDDNGUYVACTKFM-UHFFFAOYSA-N 371.234 3.711 0 40 FHAB CCc1[nH]nc(-c2nc(-c3ccc(C)cc3F)no2)c1Br 563652162 XPXNMKIMJYGMBX-UHFFFAOYSA-N 351.179 3.899 0 40 FHAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCC 224020852 AGVAPFSZTRGYBL-NRFANRHFSA-N 366.505 3.953 0 40 FHAB O=C1NC(=O)/C(=C\c2ccc(OC(=O)c3cccc(Cl)c3)cc2)S1 221359111 QDXKLAKVMSVODW-RIYZIHGNSA-N 359.790 3.883 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1Cl 224131128 AFUZUFMQKHDBEU-GFCCVEGCSA-N 354.233 3.956 0 40 FHAB C[C@H]1Cc2cccc3c(=O)c(C(=O)N(C)Cc4ccccc4F)cn1c23 225861259 GNZQIJGTTAHVLP-ZDUSSCGKSA-N 350.393 3.530 0 40 FHAB Cc1ccc(S(=O)(=O)C2(C(=O)Nc3cc(C)cc(C)c3)CCC2)cc1 48367723 PKABSGXOWNZRES-UHFFFAOYSA-N 357.475 3.947 0 40 FHAB CCc1ccc(O[C@@H](CC)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 222876026 PKAYZIXWMACLID-IBGZPJMESA-N 371.477 3.783 0 40 FHAB CCOc1ccccc1NC(=S)N[C@@H](C)COc1ccc(OC)cc1 225264656 VYAQCUCSCIKILS-AWEZNQCLSA-N 360.479 3.848 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1C 222717941 OKFQIOULRMVNAH-CVEARBPZSA-N 355.434 3.719 0 40 FHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ncccc1OC 225689042 KUEBCTSASAQRIM-AWEZNQCLSA-N 373.478 3.688 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C 224224292 HDNVAPAXACGCAV-OAQYLSRUSA-N 366.505 3.789 0 40 FHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1 225013519 IYIDATYROQGQDZ-RTBURBONSA-N 366.505 3.870 0 40 FHAB Cc1cc2cc(CNC(=O)c3ccc(O[C@@H]4CCSC4)nc3)ccc2[nH]1 225717266 CKFIWQZIHSIJQD-QGZVFWFLSA-N 367.474 3.686 0 40 FHAB Cc1ccc(OCC(=O)Nc2cc(N)ccc2N2CCCC[C@@H]2C)cc1 226253254 WFTHKCMOVASYCV-INIZCTEOSA-N 353.466 3.974 0 40 FHAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)c2ccoc2C2CC2)cc1 583622208 ZGUMJWQJNOVSNE-RXVVDRJESA-N 355.434 3.678 0 40 FHAB COc1cccc(NC(=O)N2CCC[C@H](C(=O)N[C@H]3CCCC[C@H]3C)C2)c1 245227466 OASMZMFZFUKDCS-GJYPPUQNSA-N 373.497 3.634 0 40 FHAB O=C(c1cccc(Cl)c1)N1CC2(C[C@@H](OCc3cccnc3)CS2)C1 247945760 QSTBHUJVRFERIP-QGZVFWFLSA-N 374.893 3.652 0 40 FHAB Cc1cncc(C(=O)N2CCC[C@H](c3cncc(Oc4ccccc4)n3)C2)c1 257321723 WCZAASBHSGQUCN-KRWDZBQOSA-N 374.444 3.992 0 40 FHAB CN(Cc1c(C(=O)O)sc2cccc(F)c12)C[C@@H]1CCCC[C@@H]1O 1598506189 YLHVBWVSXYVKRD-FZMZJTMJSA-N 351.443 3.722 0 40 FHAB COc1cc([C@@H]2OC(C)(C)[C@@H]3C[C@H](O)[C@@H](C)[C@@H]2C3)cc2c1OCCCO2 257285834 PJCKRXIRUZXZJP-RWBKLUSOSA-N 362.466 3.730 0 40 FHAB CCN(Cc1ccccc1)c1nn(-c2cccc(C)c2C)nc1C(=O)O 256046436 FWEOYWXVLSSXJS-UHFFFAOYSA-N 350.422 3.609 0 40 FHAB O=C(N1CCCC1)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1 257221870 DQWZHESTFVHPDQ-UHFFFAOYSA-N 350.462 3.710 0 40 FHAB COc1ncc(Cl)c(N2CCC(n3c(C)nc4ccccc43)CC2)n1 684598172 UHYYBICGIYURHY-UHFFFAOYSA-N 357.845 3.638 0 40 FHAB Cc1oc(-c2ccccc2Cl)nc1CN1CCC(c2nncn2C)CC1 72479186 RPSKOQDWTUDPMC-UHFFFAOYSA-N 371.872 3.812 0 40 FHAB CSCC1(CCNC(=O)N[C@@H]2c3ccccc3CC23CCOCC3)CC1 595635608 NQKADZRGXBISQG-GOSISDBHSA-N 374.550 3.913 0 40 FHAB C[C@@](CNC(=O)c1cscc1C(F)(F)F)(C(=O)O)c1ccccc1 621537302 MZGNCBIWNOKFJL-HNNXBMFYSA-N 357.353 3.539 0 40 FHAB Cc1cc2nccc([C@]3(C)CCCN3C(=O)Cc3c[nH]c4ccccc34)n2n1 585182399 IHTRXULCEOUXOV-QFIPXVFZSA-N 373.460 3.599 0 40 FHAB CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C2CCC2)CC1 64448112 RDUHKQBWTBJMQP-UHFFFAOYSA-N 354.416 3.928 0 40 FHAB Cc1ccc(C)c(CS(=O)(=O)CC(=O)N[C@H](C)CCCC(C)C)c1 32929624 MDBCJRUKYVGZSV-QGZVFWFLSA-N 353.528 3.549 0 40 FHAB COc1cc(CNC(=O)c2ccoc2C)ccc1OCc1ccncc1 48446275 GQRPIXBBKLXMCE-UHFFFAOYSA-N 352.390 3.501 0 40 FHAB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccccc1C(=O)NC1CCCC1 77385976 SJBRHKTXBPWJPN-HZPDHXFCSA-N 358.482 3.527 0 40 FHAB CCC[C@@H](C(=O)Nc1cncnc1-n1cccn1)c1cccc(Cl)c1 1520190246 UTFWGHUHQZRQSG-OAHLLOKOSA-N 355.829 3.838 0 40 FHAB CCc1nnc(NC(=O)CCCOc2cccc(Br)c2)s1 5509210 IPHSHGMBCBMYNS-UHFFFAOYSA-N 370.272 3.661 0 40 FHAB O=C(C1CCCCC1)N1CCC[C@@H]1Cn1nc(-c2cccs2)ccc1=O 12144952 RGYFHUUFUHADOH-MRXNPFEDSA-N 371.506 3.543 0 40 FHAB C[C@H]1CN(c2ncc(-c3ccsc3)c(-c3cccnc3)n2)C[C@@H](C)O1 12222067 UVXMDVOMLFPIKY-OKILXGFUSA-N 352.463 3.881 0 40 FHAB O=c1c2cc(OCCOc3ccccc3)ccc2nc2n1CCCCC2 12899588 LOXOSXZJSKOXLL-UHFFFAOYSA-N 350.418 3.581 0 40 FHAB biogenic O=C(CCCOc1ccc(F)cc1)Nc1ccc(C(=O)N2CCCC2)cc1 13012958 NZZUPZZHNMRVTN-UHFFFAOYSA-N 370.424 3.859 0 40 FHAB O=C(c1cnccn1)N1CCCCC[C@@H]1c1cc(-c2cccs2)on1 12185389 ZDRSUSDOXNSTDM-OAHLLOKOSA-N 354.435 3.951 0 40 FHAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cc2ccccc2c(=O)[nH]1 29854658 AKECKDFEUSLVET-OAHLLOKOSA-N 354.406 3.634 0 40 FHAB Cc1noc(COc2ccc(Nc3ncnc(-c4ccccc4)n3)cc2)n1 1651528784 OBUJDMSBFUCDCM-UHFFFAOYSA-N 360.377 3.553 0 40 FHAB Cc1ccc(-c2csc3ncn(CC(=O)c4ccc[nH]4)c(=O)c23)s1 9576789 HZMRRUIPDORKHL-UHFFFAOYSA-N 355.444 3.706 0 40 FHAB O=C(COC(=O)/C=C/c1ccc(C(F)(F)F)cc1)NCc1cccs1 4778940 UQEJWSMMPJHXTK-VMPITWQZSA-N 369.364 3.640 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccncc2)CC1 20544018 IFQVBNLPLUNESO-UHFFFAOYSA-N 365.264 3.738 0 40 FHAB CC(C)c1ncnc(N(C)[C@H]2CCCN(c3cc(C4CC4)ncn3)C2)c1F 2087131230 CCVUCUBRUHNSJP-HNNXBMFYSA-N 370.476 3.512 0 40 FHAB CCCS(=O)(=O)N1CCN=C1SCc1ccc(Cl)c(Cl)c1 2711704 UKFWLSWUPJXVEY-UHFFFAOYSA-N 367.323 3.638 0 40 FHAB CCOc1ccc([C@H](CC(=O)O)NC(=O)CCCc2ccccc2)cc1 3624353 WROVNWLCPGPLJA-IBGZPJMESA-N 355.434 3.740 0 40 FHAB Cc1ccccc1-n1nc2c(c1NC(=O)COc1ccccc1)CSC2 3893242 CBNIWTWWICEETG-UHFFFAOYSA-N 365.458 3.945 0 40 FHAB CC1(C)Cc2cccc(OCC(=O)NCCc3c[nH]c4ccccc34)c2O1 7453805 SKMRWKLMPSMUCX-UHFFFAOYSA-N 364.445 3.619 0 40 FHAB CCOc1cccc2sc(NC(=O)Cc3ccc(OC)c(OC)c3)nc12 12348320 NSWZNMJWWNCZRK-UHFFFAOYSA-N 372.446 3.893 0 40 FHAB COC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2cc(-c3ccccc3)nn12 20606903 DCSWTUKGGUNNLU-UHFFFAOYSA-N 373.368 3.579 0 40 FHAB Cc1ccc(C(=O)N2CCC(COc3ccc(C4CC4)nn3)CC2)cc1C 1775965592 FUQYMYVZSQVJLF-UHFFFAOYSA-N 365.477 3.902 0 40 FHAB CSc1ccccc1NC(=O)C(=O)NCc1cc(-c2ccoc2)cs1 1775970022 XQNCPIHQFFKGJG-UHFFFAOYSA-N 372.471 3.985 0 40 FHAB O=C(NCCn1cc(-c2ccoc2)cn1)C1(c2cccs2)CCCC1 575616314 ZDHUTYTXWDXBKO-UHFFFAOYSA-N 355.463 3.833 0 40 FHAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(N2CCCC2)cc1 10429405 PFKPSPASHVGYGE-CQSZACIVSA-N 371.868 3.697 0 40 FHAB C[C@@H]1CCC[C@@H](NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)[C@@H]1C 40086856 WUWCTCQCGHHQDQ-DBXWQHBBSA-N 370.537 3.799 0 40 FHAB CN(C)[C@@H](CNC(=O)c1cnc(-c2ccccc2)s1)c1ccsc1 40108710 CDAYPLRABVMEKJ-HNNXBMFYSA-N 357.504 3.904 0 40 FHAB Cc1nn2c(=O)cc(CSc3nc(-c4ccccc4)cs3)nc2s1 40119301 QOVZTXQXPCGLEY-UHFFFAOYSA-N 372.500 3.875 0 40 FHAB Cc1nc(-c2ccccc2)ccc1C(=O)OCC(=O)N1C[C@@H](C)C[C@H](C)C1 31316359 SHDMNORNLGGGGV-HOTGVXAUSA-N 366.461 3.718 0 40 FHAB Ic1ccccc1OCc1noc(-c2ccco2)n1 31657797 WOHKZNUVYITJGO-UHFFFAOYSA-N 368.130 3.513 0 40 FHAB Nc1c(C(=O)N2CCCC2)oc2nc(-c3ccco3)c3c(c12)CCCC3 31817908 YRXVLGQIEJMYMC-UHFFFAOYSA-N 351.406 3.785 0 40 FHAB Cn1cnc(S(=O)(=O)N[C@H](c2ccccc2)C2CCCCC2)c1Cl 32472504 WONCKQYIFULPCW-OAHLLOKOSA-N 367.902 3.673 0 40 FHAB O=C(CCc1cccc(Cl)c1Cl)Nc1ccc2oc(=O)[nH]c2c1 32637729 RUPBXSIXXNOEIK-UHFFFAOYSA-N 351.189 3.999 0 40 FHAB NC(=O)NCc1ccc(C(=O)OCc2ccc(-c3ccccc3)cc2)cc1 21475117 KTRLCSNXYKHHEQ-UHFFFAOYSA-N 360.413 3.879 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)NC2CCCCCCC2)n1C 21459953 SSVCICKBPSDQSB-UHFFFAOYSA-N 362.499 3.705 0 40 FHAB OC1=C2C(=Nc3ncnn3[C@@H]2c2cccnc2)C[C@@H](c2ccc(F)cc2)C1 102588659 QUMQXKKJFWOELJ-AUUYWEPGSA-N 361.380 3.877 0 40 FHAB CC[C@H](C)[C@@H](NC(N)=O)C(=O)Nc1ccc(Oc2cccc(C)c2)cc1 32995946 NCYFNDZHNQIQNN-KBXCAEBGSA-N 355.438 3.809 0 40 FHAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2C)c1 899298 NEIQPTFXRSXPFC-UHFFFAOYSA-N 368.462 3.535 0 40 FHAB Cc1ccc(OCC(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 959647 RFLCDUPDHHFNLN-UHFFFAOYSA-N 367.323 3.575 0 40 FHAB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)NC1CCCCCC1 1060646 GRELFEKLCLAJKD-UHFFFAOYSA-N 364.489 3.774 0 40 FHAB Cc1ccccc1NC(=O)CSc1nnc(COc2ccccc2)o1 1439940 DNZJVKHDZYHTGX-UHFFFAOYSA-N 355.419 3.688 0 40 FHAB NC(=O)c1sc2nsc(SCc3ccc(Cl)cc3)c2c1N 2188603 ZPIWPHIWJALTPM-UHFFFAOYSA-N 355.897 3.985 0 40 FHAB Cc1ccc(NC(=O)c2ccc(F)cc2)cc1I 2653764 UDMPEIKXFDWOPW-UHFFFAOYSA-N 355.150 3.991 0 40 FHAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)NCc1ccco1 3231968 SYMYZDKUOQKVRS-UHFFFAOYSA-N 361.825 3.604 0 40 FHAB CN(C(=O)COC(=O)/C=C/c1ccc(OC(F)F)cc1)c1ccccc1 3283196 LIQYTBMELZAHSS-FMIVXFBMSA-N 361.344 3.507 0 40 FHAB COc1cc(OC)c(N[C@@H](C)C(=O)N(C)C2CCCCC2)cc1Cl 3346173 MJHIZHMBNCMXAK-LBPRGKRZSA-N 354.878 3.949 0 40 FHAB COc1cc(/C=C/C(=O)N[C@H]2CCCc3ccccc32)cc(OC)c1OC 3428301 AFHZHIYYMVWJKX-DXRVJIQQSA-N 367.445 3.919 0 40 FHAB CCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1-c1ccccc1 3501398 PUFOMVWWRCTHEE-UHFFFAOYSA-N 366.490 3.682 0 40 FHAB O=c1nc(SCc2ccc(F)cc2)c2c(n1Cc1cccnc1)CCC2 4330221 GKZDVSOMWUHHLX-UHFFFAOYSA-N 367.449 3.607 0 40 FHAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc2ccccc2o1 4332581 WXPBIMZKBQJPRU-UHFFFAOYSA-N 359.765 3.890 0 40 FHAB Cc1ccccc1Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O 4479137 ZHICRFRSNBYZQD-UHFFFAOYSA-N 350.809 3.592 0 40 FHAB O=C(Nc1nnc(C2CCCCC2)s1)[C@@H]1CC(=O)N(c2ccccc2)C1 4731689 OQXPNGAIUAZNSS-CQSZACIVSA-N 370.478 3.577 0 40 FHAB COc1cc(OC)c(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1NC(C)=O 5015569 XETRGWZOYLDKJC-UHFFFAOYSA-N 372.465 3.817 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nc3cc(Cl)cnc3[nH]2)c1C 5309618 NWKQXTCDEYJWDS-UHFFFAOYSA-N 362.842 3.734 0 40 FHAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2OC(F)F)NC(=O)N1 5517847 OJKCAKBMLLXYQV-MRXNPFEDSA-N 373.359 3.555 0 40 FHAB O=C(Nc1ccc(N2CCCCCC2)cc1)[C@@H]1COc2ccccc2O1 5689335 QJTSSLNPOJKYFZ-FQEVSTJZSA-N 352.434 3.846 0 40 FHAB CCOc1ccccc1C(=O)Nc1ccccc1I 5714074 FZASXTNPTUAVQO-UHFFFAOYSA-N 367.186 3.942 0 40 FHAB CCc1cccc(C)c1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O 5797339 FPCTXEWDAVUJBN-UHFFFAOYSA-N 361.401 3.652 0 40 FHAB CC(C)CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 5843304 IRGDEEHWVJUDGO-UHFFFAOYSA-N 357.281 3.618 0 40 FHAB CC(=O)Nc1ccc(C(=S)NC[C@@H](c2ccco2)N2CCCCC2)cc1 5937722 JMMPYPHICOGGOD-SFHVURJKSA-N 371.506 3.730 0 40 FHAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1cc(F)ccc1F 5979280 JTROXOBBHSARSA-UHFFFAOYSA-N 359.250 3.779 0 40 FHAB O=C(CSc1ncccn1)Nc1nc(-c2ccc(F)c(F)c2)cs1 6054045 SJROPMAMZTULQL-UHFFFAOYSA-N 364.402 3.609 0 40 FHAB CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 6376770 FRZMUGDXPZZWDA-NAVXVDNBSA-N 369.509 3.786 0 40 FHAB Cc1ccc(C)c(OCC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1 6551346 FATNCZWIBDPKFX-JOCHJYFZSA-N 369.461 3.967 0 40 FHAB COc1ccccc1-c1noc(COC(=O)c2cc3c(s2)CCC3)n1 7047382 BVPXKNVLDSSXPL-UHFFFAOYSA-N 356.403 3.652 0 40 FHAB O=C(Nc1ccccc1)C1CCN(C(=O)COc2ccccc2Cl)CC1 7073420 CELHVYDGCNQWPQ-UHFFFAOYSA-N 372.852 3.596 0 40 FHAB O=C(COC(=O)c1c(Cl)cccc1Cl)NCCc1ccccc1 7108832 HFTSZKWEENBJDH-UHFFFAOYSA-N 352.217 3.509 0 40 FHAB COc1ccc(CC(=O)Nc2ccc3nc(C)sc3c2)c(OC)c1OC 7958522 QTXOVPSZUBDAMG-UHFFFAOYSA-N 372.446 3.812 0 40 FHAB CCOC(=O)c1ncn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc12 8782862 NQXACKRHMCGBQY-UHFFFAOYSA-N 353.275 3.731 0 40 FHAB CCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(CC)cc3)ccc21 8840536 FYOAUSNYIYGWBN-UHFFFAOYSA-N 372.490 3.739 0 40 FHAB C[C@H](Nc1ccc2c3c(cccc13)CC2)C(=O)N1CC(=O)Nc2ccccc21 9156203 SAPWOKYCDLEAFA-AWEZNQCLSA-N 371.440 3.724 0 40 FHAB Cn1ncc2c(Nc3cccc(Cl)c3)nc(NCc3ccco3)nc21 9212258 NVBPMXCFHYOZGE-UHFFFAOYSA-N 354.801 3.965 0 40 FHAB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=S)N[C@@H]1c1ccsc1 9321975 MUGOCHLHGSMGIK-OAHLLOKOSA-N 362.451 3.770 0 40 FHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@@H]1CCCC[C@H]1C 9663041 BKVOAPNNGHBBNP-NVXWUHKLSA-N 372.538 3.676 0 40 FHAB COc1cccc(CNC(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 9679457 AVTFULGOKSOHIF-INIZCTEOSA-N 364.449 3.661 0 40 FHAB COc1ccc(CCNC(=O)NCc2ccc3cc(OC)ccc3c2)cc1 10495598 IWIHBLWZXPDVIH-UHFFFAOYSA-N 364.445 3.899 0 40 FHAB O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)[C@@H]1CC=CCC1 10499589 IJOXJGCBIGFBLH-MRXNPFEDSA-N 369.490 3.942 0 40 FHAB C[S@@](=O)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 11201740 GMLDKHQZGWPWEQ-SANMLTNESA-N 368.414 3.522 0 40 FHAB CSc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 12037785 XOHMVIDMDBNLJB-INIZCTEOSA-N 354.475 3.704 0 40 FHAB CCOc1ccccc1C(=O)Nc1nc(-c2ccc(OC)cc2)ns1 12062964 SUWPXJOAZSJKEO-UHFFFAOYSA-N 355.419 3.865 0 40 FHAB Cc1cccc(C2(O)CCN(Cc3cncn3Cc3ccccc3)CC2)c1 12147600 CICHKGBFIRXOKD-UHFFFAOYSA-N 361.489 3.723 0 40 FHAB Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CN[C@@H]3CCc4ccccc43)cc12 12186423 SXPPSEZERVXURQ-OAQYLSRUSA-N 370.456 3.799 0 40 FHAB COc1ccc([C@H](NC(=O)c2ccc(Cl)cc2)c2nccn2C)cc1 12560433 YUVIXCIWSOEVGU-KRWDZBQOSA-N 355.825 3.602 0 40 FHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)COc1cccc(F)c1 12625743 BAOOLCCZNHIKRA-OLMNPRSZSA-N 366.429 3.752 0 40 FHAB Cc1ccc(OCC(=O)Nc2nc(CN3CCCCC3)cs2)c(C)c1 12750149 HAUWNUMJJJYYGT-UHFFFAOYSA-N 359.495 3.763 0 40 FHAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)NC12CC3CC(CC(C3)C1)C2 12786669 XGEDXVSJYQPKOJ-XCLLZBPDSA-N 352.478 3.663 0 40 FHAB COc1ccc(CN2CCN(c3nc4ccccc4s3)CC2)cc1OC 12821285 CJDUBJZMADWVMS-UHFFFAOYSA-N 369.490 3.636 0 40 FHAB Cc1ccc(-c2csc(=O)n2CC(=O)N[C@H](C)c2ccccc2)cc1 14183236 KFJJMUJHXVAKCR-OAHLLOKOSA-N 352.459 3.763 0 40 FHAB COc1ccc(/C=C/C(=O)NCC(=O)Nc2cccc(C)c2C)cc1Cl 14241537 NGXIYAIHLJOFIA-CSKARUKUSA-N 372.852 3.734 0 40 FHAB Cc1ccc(C)c([C@@H](NC(=O)c2c3c(nn2C)CCCC3)c2ccncc2)c1 19132297 KWFMKMYOVOITPY-NRFANRHFSA-N 374.488 3.830 0 40 FHAB O=C(NC1CCN(CC2(c3ccccc3)CCCCC2)CC1)[C@@H]1CCCO1 19369756 FYNHOTYPUKCJSI-NRFANRHFSA-N 370.537 3.648 0 40 FHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1CCN(c2ccc(F)cc2)CC1 20049533 INTXIPLHBQOSJG-OAQYLSRUSA-N 370.468 3.949 0 40 FHAB Cc1noc(C)c1COc1ccc(C(=O)OCc2nc(C(C)C)no2)cc1 22750535 XFLOAJGKWMNOIX-UHFFFAOYSA-N 371.393 3.734 0 40 FHAB Cc1ccccc1Cn1nc(C2CC2)c2cnn(-c3ccc(F)cc3)c2c1=O 22768057 IMSBOSNIKLVWIG-UHFFFAOYSA-N 374.419 3.955 0 40 FHAB COc1ccc(Br)cc1S(=O)(=O)N(C1CCCC1)C1CC1 24687261 FDKHQOOQQGCTTC-UHFFFAOYSA-N 374.300 3.553 0 40 FHAB COc1ccc(-c2nc(COC(=O)c3cnc4ccccc4n3)co2)cc1 28309572 XSFYOUKLFMYBMP-UHFFFAOYSA-N 361.357 3.650 0 40 FHAB CCOC(=O)Nc1cccc(OS(=O)(=O)c2ccc(F)cc2Cl)c1 32755261 FXZZSSRCLHATDR-UHFFFAOYSA-N 373.789 3.815 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)COc2ccc(C)cc2)c(OC)c1 32820706 TXNOCADGJHTLBX-LJQANCHMSA-N 355.434 3.755 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)c2ccc3cn[nH]c3c2)cc1OC 32901630 XKRVMYWAOHQUGQ-QGZVFWFLSA-N 351.406 3.557 0 40 FHAB COc1cccc(C(=O)Nc2cccc(-n3nc(C)cc3C)c2)c1OC 32916009 XQZUDOLNHYDNSA-UHFFFAOYSA-N 351.406 3.759 0 40 FHAB CSc1nnc(SCC(=O)c2ccc3c(c2)CCCC(=O)N3)s1 32922451 OUMUUBODNZWBKU-UHFFFAOYSA-N 365.505 3.510 0 40 FHAB Cc1csc(NC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)n1 32931998 NCQMIHJZNMHGPG-LBPRGKRZSA-N 358.492 3.916 0 40 FHAB Cc1cccc(NC(=O)CSCc2cc(=O)c3cccc(F)c3[nH]2)c1 33063826 UGXPYAHAJNJKBO-UHFFFAOYSA-N 356.422 3.848 0 40 FHAB c1ccc(-c2cc3c(N4CCN(c5ccccc5)CC4)nccn3n2)cc1 33266303 JHXPYRVQHDNQNB-UHFFFAOYSA-N 355.445 3.723 0 40 FHAB Cn1nc(C(C)(C)C)cc1-c1nn2c(-c3cccc(F)c3)nnc2s1 36354548 BIKISPXDIGICMT-UHFFFAOYSA-N 356.430 3.690 0 40 FHAB CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N(C)c1ccccc1 40160765 MEKYMVWRFSKZQH-GOSISDBHSA-N 356.491 3.510 0 40 FHAB CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc2oc(C3CC3)nc2c1 41838479 UIWFASOUJUKJOG-UHFFFAOYSA-N 359.426 3.949 0 40 FHAB CC(C)Cc1cc(-c2nn3c(Cc4ccc(F)cc4)nnc3s2)n(C)n1 44916775 XEDZUJACBGYWSP-UHFFFAOYSA-N 370.457 3.515 0 40 FHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 46489031 JSUQXQFPEDDLRZ-UONOGXRCSA-N 364.511 3.825 0 40 FHAB COc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(Cl)c1N(C)C 48300016 NOUIKHGYGPOIRZ-UHFFFAOYSA-N 370.840 3.853 0 40 FHAB CCc1cccc(NC(=O)CSc2ncccc2-c2nc(C)no2)c1 49406973 VQTFAQMDDMBJFT-UHFFFAOYSA-N 354.435 3.733 0 40 FHAB O=c1c(Cl)c(NC[C@H]2CCOC2)cnn1-c1ccc(Cl)cc1Cl 52007344 LFSXCPDEXXCWDG-SECBINFHSA-N 374.655 3.641 0 40 FHAB COCCOc1ccccc1C(=O)N[C@H](C)c1ccc(OC(F)F)cc1 52998296 CJCSKZHNGGTUNJ-CYBMUJFWSA-N 365.376 3.804 0 40 FHAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCc2ccc(C(=O)NC3CC3)cc2)o1 57403483 SWGDVCOKQWNYJP-LIRRHRJNSA-N 366.461 3.544 0 40 FHAB Cc1ccc(-c2noc(CCC(=O)N3CCn4cccc4[C@H]3C)n2)cc1F 58168704 UMAPJGIRGLEZDJ-CQSZACIVSA-N 368.412 3.522 0 40 FHAB CCN(CC)C(=O)C1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1 60215839 NMQJCUGYUJHNBD-UHFFFAOYSA-N 362.857 3.807 0 40 FHAB COC(=O)Cc1csc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)n1 62714671 RNIJIFIZBCQNCO-JXMROGBWSA-N 358.463 3.808 0 40 FHAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(C)cc3C)ccc21 64947105 LISOCCDMTVUGHO-UHFFFAOYSA-N 362.476 3.501 0 40 FHAB CCn1c([C@@H](C)NC(=O)C2=NO[C@@H](c3ccccc3)C2)nc2ccccc21 68174777 LYECLSAHZZOYKY-AUUYWEPGSA-N 362.433 3.751 0 40 FHAB COc1ccc(C2(C(=O)Nc3ccc4[nH]ccc4c3)CCOCC2)cc1 70666507 ZJPZWUHCRNRGCZ-UHFFFAOYSA-N 350.418 3.863 0 40 FHAB biogenic O=C(c1nccn2ccnc12)N(Cc1cccs1)Cc1cccs1 72294375 ZPAFCZLYWIYNEW-UHFFFAOYSA-N 354.460 3.695 0 40 FHAB Cc1ccc(Nc2nccc([C@@H]3CCCN3C(=O)c3ccccc3)n2)nc1 72377505 FELMDFKODGARQD-SFHVURJKSA-N 359.433 3.901 0 40 FHAB CCCCOCCCNC(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 75104713 RXECMSQKDQBCQJ-XMMPIXPASA-N 366.405 3.642 0 40 FHAB COC(=O)[C@@H]1CCC[C@H]1NC(=O)Nc1ccccc1COc1ccccc1 75109829 RPIYJYCQFQSCEU-IEBWSBKVSA-N 368.433 3.729 0 40 FHAB Cc1cc(C(C)(C)C)cc(C)c1CN1C(=O)N[C@@](C)(c2ccccn2)C1=O 78471654 XAVGPDKGOIETGH-QFIPXVFZSA-N 365.477 3.963 0 40 FHAB Fc1ccc(-c2cnc(CNc3ccccc3CN3CCOCC3)o2)cc1 79183369 HSLOLAIAOSNIHQ-UHFFFAOYSA-N 367.424 3.925 0 40 FHAB CC(C)(C)c1ccccc1NC(=O)c1cccc(C(=O)N2CCCC2)n1 84284601 PDWKIBCQTQISPD-UHFFFAOYSA-N 351.450 3.867 0 40 FHAB CC[C@@H](C)n1nccc1NC(=O)N(CCO)[C@@H]1CCCc2ccccc21 95446394 HFGOFQZHKKUWTD-CRAIPNDOSA-N 356.470 3.758 0 40 FHAB O=C(CCc1ncc(-c2ccccc2Cl)o1)N[C@@H]1CCN2CCC[C@@H]2C1 95949521 CXXATKSZDPCJHS-HUUCEWRRSA-N 373.884 3.671 0 40 FHAB O=C(NCCCc1ccccc1)NCC[C@@H](O)c1cc2ccccc2o1 96097316 LTUJRZBGBUTZOE-GOSISDBHSA-N 352.434 3.788 0 40 FHAB COc1ccc(C(=O)N[C@@H]2CCCc3c2[nH]c2ccccc32)cc1OC 96232682 KNHNNQKRLUIPAV-QGZVFWFLSA-N 350.418 3.993 0 40 FHAB CO[C@H](CNC(=O)c1cc(Br)cs1)c1cccc(F)c1 96388328 AQZRTGDQZCFTPI-GFCCVEGCSA-N 358.232 3.767 0 40 FHAB COc1ccc(C(=O)Nc2c(SC)cnn2-c2ccccc2)c(OC)c1 97014213 ZXDIZOVPESOYPC-UHFFFAOYSA-N 369.446 3.864 0 40 FHAB Cc1cc(NC(=O)[C@H](OC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c2ccccc2)no1 104895606 FSOVNEHKANYUER-OWIUFQIYSA-N 354.406 3.642 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)NC(C)(C)Cc1ccccc1 222898762 RRVJXEOQSXPIAJ-UHFFFAOYSA-N 353.871 3.648 0 40 FHAB O=C(N[C@@H]1C(O)=N/[N+](=C\c2ccccc2)[C@H]1c1ccccc1)c1ccccc1 223599568 WOWHACKVFSQBFN-VNPDFKGRSA-O 370.432 3.543 0 40 FHAB CC(C)C(NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)C(C)C 224076384 MHGNECLHDXLVNQ-AQTBWJFISA-N 354.450 3.847 0 40 FHAB Cc1ccccc1CN(C(=O)Cc1ccccc1)[C@@H](C)C(=O)NCC(C)C 224112017 GHXKYBNNFVNDAV-IBGZPJMESA-N 366.505 3.727 0 40 FHAB C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)c1ccc(OC(F)(F)F)cc1 225599946 RAESFFNDARIJIO-LBPRGKRZSA-N 365.351 3.881 0 40 FHAB O=C(Cn1ccc(=O)c2ccccc21)NCc1ccc(Cl)cc1Cl 225717473 SKXCPSNWTBZNNS-UHFFFAOYSA-N 361.228 3.625 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)CCc1nc(-c2cccc(F)c2)no1 225801609 TWBOCOCBXQIEHV-OAHLLOKOSA-N 367.424 3.946 0 40 FHAB O=C(COc1nn(-c2ccccc2)cc1Br)Nc1ccccc1 227151578 SLVFXERYYXUQDQ-UHFFFAOYSA-N 372.222 3.652 0 40 FHAB CCOCC[C@@H]1CCOC12CCN(C(=O)c1ccc(F)c(Cl)c1)CC2 253387213 ZOPMCRAKMVTXCV-OAHLLOKOSA-N 369.864 3.917 0 40 FHAB FC(F)(F)COCc1nn(C2CCCC2)cc1I 408716726 QFZATCAICKHWGH-UHFFFAOYSA-N 374.144 3.682 0 40 FHAB CCCC1=NN(C(=O)CSCc2ccccc2)[C@@](O)(C(F)(F)F)C1 409343001 CMVFTNZJRGUYML-HNNXBMFYSA-N 360.401 3.559 0 40 FHAB COc1ccc([C@@H](NC(=O)Nc2ccc3oc(C)nc3c2)C2CC2)cn1 529021240 MVMXCUADWNPMBZ-SFHVURJKSA-N 352.394 3.813 0 40 FHAB Cn1c(CCNC(=O)c2ccc(C(C)(C)C)cc2)nnc1-c1ccccc1 545206407 YGYUCBLTJVPGMQ-UHFFFAOYSA-N 362.477 3.752 0 40 FHAB Cc1nc(C(F)(F)F)ccc1NC(=O)N1CC[C@@H](n2cc(Cl)cn2)C1 569396827 OXRWTIQFSFOQFN-LLVKDONJSA-N 373.766 3.738 0 40 FHAB Cc1nn(CCNC(=O)COc2ccccc2F)c(C)c1-c1ccsc1 575612391 DFOZBOZZJZZUJF-UHFFFAOYSA-N 373.453 3.563 0 40 FHAB CCSc1ccccc1C(=O)NCc1ccc(-c2cnn(C)c2)nc1 575615336 DLWPBNFZSMPRAJ-UHFFFAOYSA-N 352.463 3.524 0 40 FHAB CCOc1ccc(C(=O)NC[C@@H](c2cc3ccccc3o2)N(C)C)cc1 575621134 NNYXCASKMIVYQY-SFHVURJKSA-N 352.434 3.864 0 40 FHAB C[C@@H]1C[C@@H](Nc2ncnc3c2ncn3C2CC2)CCN1Cc1ccccc1 576452567 LOGZMGVEISSRBK-WBVHZDCISA-N 362.481 3.626 0 40 FHAB CC(C)N1C(=O)C2(CCN(C(=O)c3cccc(F)c3)CC2)c2ccccc21 585104600 RBHOFQRRPHHOEZ-UHFFFAOYSA-N 366.436 3.755 0 40 FHAB CC(C)CC(=O)N1CC[C@@]2(C1)c1cccn1-c1ncccc1N2CC(C)C 585106761 HOACNFYBLQWTBP-JOCHJYFZSA-N 366.509 3.822 0 40 FHAB COc1ccc(Cl)c2sc(N3CC[C@H](C(=O)NC(C)(C)C)C3)nc12 1889128298 BUSIGGPZZDPPOR-JTQLQIEISA-N 367.902 3.699 0 40 FHAB Cc1cnc(C)c(OC2CCN(c3ncccc3C(F)(F)F)CC2)n1 2086954082 PZYNSVJDFCLASV-UHFFFAOYSA-N 352.360 3.555 0 40 FHAB COc1ccc([C@H](OC(=O)c2ccco2)C(=O)NC2CCCCC2)cc1 1381053 WKNHHNNDRZBVHK-SFHVURJKSA-N 357.406 3.635 0 40 FHAB CCOC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccccc2C)c1 683244 VKZHIEUALQEBBD-UHFFFAOYSA-N 353.827 3.626 0 40 FHAB CCC(CC)c1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)s1 692064 VBKJTQAGCKWWMQ-CQSZACIVSA-N 372.494 3.742 0 40 FHAB c1ccc2c(c1)OC[C@H](c1nc3c4c5c(sc4ncn3n1)CCCC5)O2 3176378 FSONEDFRQNLMRQ-CQSZACIVSA-N 364.430 3.730 0 40 FHAB CC[C@@H](C)NC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 901990 SWUAPBLYGJHJCC-SECBINFHSA-N 359.373 3.762 0 40 FHAB COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CCC4)cc1 904448 ASGIBQKFPRFXQU-UHFFFAOYSA-N 367.430 3.658 0 40 FHAB CC1(C)Cc2cccc(OCC(=O)OCC(=O)c3ccc(Cl)cc3)c2O1 8193898 DMTMNSIXRQVSBU-UHFFFAOYSA-N 374.820 3.858 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CCCCC3)c2)cc1 8202689 HVBJNBXKXHTJRW-UHFFFAOYSA-N 372.490 3.858 0 40 FHAB Cc1ccc(NC(=O)CSc2nc(/C=C/c3ccco3)n[nH]2)cc1F 10624591 DBMOOSXVMIZPSN-VOTSOKGWSA-N 358.398 3.746 0 40 FHAB CCC[C@H](c1nnnn1C(C)(C)CC)N1CCN(c2ccc(F)cc2)CC1 57669874 ZUUNIVVVGZTWAM-GOSISDBHSA-N 374.508 3.621 0 40 FHAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)c2ccc(NC(C)=O)cc2)cc1 24636374 IDJCFERKWAAIAO-LBPRGKRZSA-N 356.447 3.967 0 40 FHAB Cc1cc([C@@H](C)NC(=O)CCc2nc(-c3ccccn3)no2)c(C)s1 25015633 QBZKOOBCYACGFJ-GFCCVEGCSA-N 356.451 3.620 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)c1cc(-c2ccccc2)on1)c1ccccc1 25159639 OQKRYHJKZSIHLU-IBGZPJMESA-N 358.401 3.595 0 40 FHAB C[C@H](Nc1ccc(F)c(NC(=O)c2ccsc2)c1)C(=O)NC(C)(C)C 56158145 MTWGWAHQAGANKU-NSHDSACASA-N 363.458 3.855 0 40 FHAB CC(=O)Nc1cccc(-n2cnn(CN(C)CC3CCCCC3)c2=S)c1 26607399 CLXWKLFIRPZFJK-UHFFFAOYSA-N 373.526 3.831 0 40 FHAB O=S(=O)(NC1(c2ccc(Cl)cc2)CCC1)c1c(F)cccc1F 57993298 UTHQKOBKUBHSST-UHFFFAOYSA-N 357.809 3.976 0 40 FHAB O=C(OCc1ccc(-n2cccn2)cc1)c1cc(-c2ccc(F)cc2)[nH]n1 48250812 VEFWSCPOEXECNE-UHFFFAOYSA-N 362.364 3.759 0 40 FHAB CCCOc1ccc(NC(=O)c2c(O)n(CC)c3ccccc3c2=O)cc1 2071952 MHLWIWAOPJFOIO-UHFFFAOYSA-N 366.417 3.768 0 40 FHAB CC(C)(C)OC(=O)NC(C)(C)c1noc(COc2ccc(F)cc2F)n1 58163686 ZOOLQRFDHIHLGZ-UHFFFAOYSA-N 369.368 3.687 0 40 FHAB CN(Cc1cccs1)C(=O)COc1ccc2c(c1)OC(C)(C)CC2=O 58114449 YRUGCRSNHBQHDY-UHFFFAOYSA-N 359.447 3.529 0 40 FHAB CCn1cc(NC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)cn1 58158469 LOXPTPFZZQXXIK-UHFFFAOYSA-N 371.268 3.626 0 40 FHAB COc1ccc(C(=O)O)cc1NC(=O)CSc1ccc(Cl)cc1 20151185 QGIBSNUYOLBILA-UHFFFAOYSA-N 351.811 3.778 0 40 FHAB O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2ccccc2Cl)CC1 20612010 CINGWMRLDAUEOW-UHFFFAOYSA-N 360.816 3.970 0 40 FHAB COc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)O[C@@H]1CC[C@H](C)[C@H](C)C1 101106477 IYZGWKKKLLAJOX-HXYMJUCXSA-N 372.465 3.691 0 40 FHAB CC(C)(C)C(=O)NC[C@H]1CC[C@H](c2ncncc2-c2ccncc2)CC1 100738924 LIEFSNZVTDSGGA-WOVMCDHWSA-N 352.482 3.975 0 40 FHAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2ccsc2c1=O 27819033 RKIBMOBKCNZTSQ-UHFFFAOYSA-N 373.503 3.826 0 40 FHAB Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)s1 58393213 VOFANOUNNREAJI-LLVKDONJSA-N 371.911 3.947 0 40 FHAB c1ccc(Oc2ccccc2CSc2nnnn2C[C@H]2CCCO2)cc1 12745702 KJCKRUWCTBLWBB-QGZVFWFLSA-N 368.462 3.937 0 40 FHAB CCSc1ccc(NC(=O)c2ccc3c(c2)CCN3C(=O)CC)cn1 58432464 QSCWAELLPWBZON-UHFFFAOYSA-N 355.463 3.745 0 40 FHAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)c2ccccc2n1 3366800 SGVVZNPMPVYQFE-GFCCVEGCSA-N 369.808 3.776 0 40 FHAB CCOc1cc(C(=O)O[C@H](C)c2nc3ccccc3n2C)ccc1OC 72310763 WLCWGSXPTFOHJP-CYBMUJFWSA-N 354.406 3.899 0 40 FHAB Cc1cc(NC(=O)CSc2nc(-c3ccco3)nc3ccccc23)on1 10849164 JDTMRHXQZUJNCQ-UHFFFAOYSA-N 366.402 3.917 0 40 FHAB CC[C@H](C)c1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 3357298 SYVDYQXDOOJFRV-NSHDSACASA-N 366.870 3.753 0 40 FHAB Cc1cc(C)n(-c2ccc(SCc3cc(F)cc4c3OCOC4)nn2)n1 11141980 DHWAZDGJTREBCK-UHFFFAOYSA-N 372.425 3.577 0 40 FHAB Cc1noc2nc(C3CC3)cc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3)c12 12804171 RKSZJYNRVLQVIN-LBPRGKRZSA-N 365.389 3.593 0 40 FHAB COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C 23923731 QBHFQWNXAGCIAH-JXFKEZNVSA-N 368.477 3.635 0 40 FHAB COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)C1CC1)oc1ccccc12 3437250 OYBBIKNRAOCAOF-LLVKDONJSA-N 353.374 3.875 0 40 FHAB CC(C)(C)c1ccccc1NC(=O)CN1C(=O)NC2(CCCCCC2)C1=O 3592719 JBCLOKNAXFPEAS-UHFFFAOYSA-N 371.481 3.567 0 40 FHAB Cc1ccc(-c2nnc(SCCOc3ccc(Cl)cc3)n2N)cc1 3542281 KGCSCNIHOOVDJO-UHFFFAOYSA-N 360.870 3.792 0 40 FHAB O=C(CN1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1cccc(Cl)c1 12973262 GOQRWTGSYWQLDW-HNNXBMFYSA-N 371.868 3.629 0 40 FHAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)C1 12987262 QHIWXOMSBLSURV-DBXWQHBBSA-N 364.489 3.532 0 40 FHAB O=C(COc1cc(Cl)ccc1Cl)NC(=O)c1ccc(Cl)cc1 12986511 UZACRAVMEUXBTD-UHFFFAOYSA-N 358.608 3.982 0 40 FHAB CO[C@H]1CCC[C@H](OC(=O)c2ccc(-n3cnc4ccccc43)nc2)C1 92814517 HBPMYGDRPWPEIY-HOTGVXAUSA-N 351.406 3.535 0 40 FHAB COc1ccsc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 4054698 OKCINUVVZWXSGW-UHFFFAOYSA-N 370.396 3.738 0 40 FHAB C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 9049863 MTQILUNEBDPDSH-VIFPVBQESA-N 370.459 3.585 0 40 FHAB COc1cc(N[C@@H](C)c2nnc(-c3ccccc3)o2)cc(OC)c1OC 9114810 PARLWOMVJFIFOW-LBPRGKRZSA-N 355.394 3.936 0 40 FHAB CCOc1ccc(OCC)c(C(=O)Nc2ccccc2C(=O)NC2CC2)c1 9689815 HLQMHBZWQTWQFY-UHFFFAOYSA-N 368.433 3.629 0 40 FHAB Cc1cc(C(=O)Nc2cc(F)cc(N3CCCC3)c2)c2c(C)noc2n1 65478634 MVFYAVVNHLEOGK-UHFFFAOYSA-N 354.385 3.831 0 40 FHAB COc1ccc(NC(=S)NCc2ccc3c(c2)OCO3)cc1Cl 6329468 ULDLMLXFQFKQFN-UHFFFAOYSA-N 350.827 3.564 0 40 FHAB CCOc1ccccc1OC1CCN(C(=O)Nc2nc(C)c(C)o2)CC1 65820907 RXDKGYPHCDWIIS-UHFFFAOYSA-N 359.426 3.765 0 40 FHAB COCCCNc1nc(-n2nc(C)cc2C)nc2sc3c(c12)CCCC3 5562263 LOWDSBNKAWPGKV-UHFFFAOYSA-N 371.510 3.821 0 40 FHAB CCOC(=O)[C@H]1CCCN(Cc2cc3ccc(OC)cc3nc2Cl)C1 14672810 PKCCOGXLIFLDFD-AWEZNQCLSA-N 362.857 3.672 0 40 FHAB O=C(Nc1cccc2c1CCCC2)C1CCN(C(=O)c2ccco2)CC1 14637212 AXJBRNUIUBQUIX-UHFFFAOYSA-N 352.434 3.649 0 40 FHAB Cc1cc(O)c2c(C)c(CC(=O)NCc3ccccc3Cl)c(=O)oc2c1 4743227 JAUHEJQARWODGC-UHFFFAOYSA-N 371.820 3.628 0 40 FHAB O[C@H](CNc1ncc(C(F)(F)F)cc1Cl)COc1ccc(F)cc1 72027488 BABVHDUPXAEHLH-LLVKDONJSA-N 364.726 3.745 0 40 FHAB COc1ccc(Cc2nnc3sc(CCCc4ccccc4)nn23)cc1 6758495 UNJODXPHZKGIBD-UHFFFAOYSA-N 364.474 3.961 0 40 FHAB NC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1Br 4851921 UJRDONRGKBVQSO-UHFFFAOYSA-N 359.179 3.547 0 40 FHAB CC(C)(C)C1CCC(NC(=O)C(=O)NCCc2ccc(Cl)cc2)CC1 408709506 BZZDYFREYBEDNF-UHFFFAOYSA-N 364.917 3.720 0 40 FHAB C[C@H](Sc1ncnc2ccsc12)C(=O)NC(=O)Nc1ccccc1 9385282 JXNWBYQZPDFKJJ-JTQLQIEISA-N 358.448 3.520 0 40 FHAB COc1ccc([C@@H]2CC(=O)Nc3[nH]nc(Nc4ccccc4)c32)cc1OC 15085018 FHUXJYWDYQXJFQ-AWEZNQCLSA-N 364.405 3.645 0 40 FHAB CCCCOc1ccc(C(=O)OCC(=O)NCc2cccc(C)c2)cc1 67197664 OYFABHUQKUTEKT-UHFFFAOYSA-N 355.434 3.647 0 40 FHAB Cc1ccc([C@H](CNC(=O)COc2ccc(C)c(C)c2)N2CCCC2)o1 15860252 OADIGQIDOCUZHY-IBGZPJMESA-N 356.466 3.537 0 40 FHAB Cc1nc(=S)[nH]c(C)c1CCC(=O)N1CC=C(c2ccc(O)cc2)CC1 9721464 QGIICPHNRIZWLZ-UHFFFAOYSA-N 369.490 3.710 0 40 FHAB FC(F)(F)c1cc(N(Cc2ccccc2)Cc2ccco2)n2ncnc2n1 72313835 SDIGKBOELAWOTC-UHFFFAOYSA-N 373.338 3.943 0 40 FHAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc2ccccc2c(=O)n1C1CC1 7859978 KLTAVEGFJWEMSS-KBPBESRZSA-N 371.506 3.613 0 40 FHAB Cc1cccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c1 16278990 QXUCUEGTZLWIGB-UHFFFAOYSA-N 359.267 3.720 0 40 FHAB CC(=O)c1ccccc1NC(=O)[C@H](C)Sc1nc(N)c2ccsc2n1 9737269 MYHLTGHUNLJWQP-JTQLQIEISA-N 372.475 3.595 0 40 FHAB CCOc1ccc(C2=N/C(=C\c3cccc(OCC)c3OC)C(=O)O2)cc1 8179989 FKROLCFQQZOUTI-LGMDPLHJSA-N 367.401 3.837 0 40 FHAB COC(=O)CCCCCNc1nc(-c2ccc(NC(C)=O)cc2)cs1 8298178 IEWJRYGRCPWCEQ-UHFFFAOYSA-N 361.467 3.914 0 40 FHAB Clc1ccc(OCCN2CCN(CCCOc3ccccc3)CC2)cc1 69385795 AKFKHGYDTROHPR-UHFFFAOYSA-N 374.912 3.806 0 40 FHAB CC[C@H](Oc1ccccc1)C(=O)N(C)CC(=O)Nc1cc(C)ccc1C 8358208 ARBNMBQSRZNRNV-IBGZPJMESA-N 354.450 3.558 0 40 FHAB Cc1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c(C)c1 8301890 XGUWAAMWPSOACM-UHFFFAOYSA-N 372.490 3.750 0 40 FHAB Cc1cc(O)c2c(C)c(CC(=O)N[C@H](C)c3ccccc3)c(=O)oc2c1 8491026 JMHDSFFJUOIPOD-CQSZACIVSA-N 351.402 3.535 0 40 FHAB biogenic CCN(Cc1cccs1)C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 69767140 ZZBFLBYFPWYWMC-UHFFFAOYSA-N 369.490 3.896 0 40 FHAB Cc1nc(-c2ccccc2NC(=O)[C@H]2CSc3ccccc3O2)no1 84281577 WJORATYQNBKOIZ-OAHLLOKOSA-N 353.403 3.537 0 40 FHAB CCn1cc(CC(=O)N[C@H](C)[C@@H](O)c2cccc(F)c2)c2ccccc21 83843378 OCXKRRFRGLZPED-SPLOXXLWSA-N 354.425 3.581 0 40 FHAB CC(C)(C)OC(=O)NCCNC(=O)c1c[nH]cc1-c1ccc(Cl)s1 84240685 JTKTZBYWYFJJJY-UHFFFAOYSA-N 369.874 3.651 0 40 FHAB C[C@H](Cn1cncn1)Nc1ncnc2scc(-c3ccc(F)cc3)c12 95957007 QWTHBXUBZUQMIE-LLVKDONJSA-N 354.414 3.590 0 40 FHAB COCCCN1C(=O)S/C(=C/c2ccccc2Br)C1=O 409237528 VBBAAFXSNPPYNV-FMIVXFBMSA-N 356.241 3.522 0 40 FHAB Cc1cccc([C@H](C)c2nc(-c3ccc(NS(C)(=O)=O)cc3)no2)c1 546306572 URNDBLVAIFXLBB-ZDUSSCGKSA-N 357.435 3.568 0 40 FHAB O=C(NC1CCCCCCC1)C1CCN(c2ccc(Cl)nn2)CC1 31874152 RTEKVONDOCAYPO-UHFFFAOYSA-N 350.894 3.576 0 40 FHAB Cn1cc(-c2ccc(C3CCN(C(=O)CCc4ccccc4)CC3)nc2)cn1 72380117 SQBFOMBQAQGXKT-UHFFFAOYSA-N 374.488 3.821 0 40 FHAB Cc1cc(C)n(CCCNC(=O)c2ccc(-c3cccs3)nc2C)n1 32194016 XAAXULFWCRXDHZ-UHFFFAOYSA-N 354.479 3.752 0 40 FHAB CC(C)c1ncc(CN2C[C@@H]3[C@@H](CCC[C@]3(O)c3ccc(F)cc3)C2)cn1 72340445 RENMGUPXFFASRP-WEYGHZABSA-N 369.484 3.859 0 40 FHAB O=C(c1cccnc1)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 72358697 LJGGNSPXMFQANX-KRWDZBQOSA-N 362.408 3.698 0 40 FHAB O=C(c1ccccc1)C1CCN(C(=O)Cc2ccc3c(c2)CCCO3)CC1 566678593 GFXDEAFYIHIPTC-UHFFFAOYSA-N 363.457 3.676 0 40 FHAB Cc1nc(C2(NC(=O)CCOc3cccc(C)c3C)CCCCC2)no1 45347500 UCECUYJMCIQRGE-UHFFFAOYSA-N 357.454 3.740 0 40 FHAB Cc1ccccc1OC[C@H](C)NC(=O)COc1ccc2c(c1)CCCC2 225689264 VMCALTRNBKVWBG-KRWDZBQOSA-N 353.462 3.836 0 40 FHAB CC[C@H](NC(=O)c1cc(C)c(C)cc1C)c1ccc(S(C)(=O)=O)cc1 225651050 FBSLPUWWGMRCIU-IBGZPJMESA-N 359.491 3.896 0 40 FHAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](CC)C(=O)NC1CCCC1 224601962 BGGQEPZFZFTMIO-LJQANCHMSA-N 360.498 3.661 0 40 FHAB CCc1cc(S(=O)(=O)NCc2cccc3ccccc23)ccc1OC 222893197 CEYNWLIXYIDDNG-UHFFFAOYSA-N 355.459 3.889 0 40 FHAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1F 224111153 PRTNMEYUPLUUFD-KRWDZBQOSA-N 370.468 3.558 0 40 FHAB CNC(=S)Nc1nc(Oc2ccccc2)cc(Oc2ccccc2)n1 225879973 XTCFFMYGFLLESZ-UHFFFAOYSA-N 352.419 3.977 0 40 FHAB COc1ccc2c(c1)[C@H](NC(=O)COc1cccc(C)c1)CC(C)(C)O2 222756622 LUUSIXZMNRRFHT-GOSISDBHSA-N 355.434 3.801 0 40 FHAB Cc1ccc(C(=O)NC(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1 224047808 PFUGIRPEKSCHHY-UHFFFAOYSA-N 366.870 3.587 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 224119935 XLGCQEUJRXHPOJ-OAQYLSRUSA-N 366.505 3.871 0 40 FHAB Cc1cccc(C(=O)N2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)n1 96261328 HKIBIJIJPHDDQA-LEWJYISDSA-N 350.462 3.642 0 40 FHAB CC(C)Oc1ccc2c(c1)[C@H](NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CCC2 585080957 GGQFNFGWKARSSL-DFQSSKMNSA-N 353.466 3.505 0 40 FHAB COC(=O)c1ccc(NC(=O)c2cn(C(C)C)c(=O)c3ccccc23)cc1 94993102 LJCQTELFMVRLAY-UHFFFAOYSA-N 364.401 3.621 0 40 FHAB CCn1nccc1-c1cc(C)nc([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 257222728 DULSBJFXQWYRCX-HNNXBMFYSA-N 356.470 3.998 0 40 FHAB O=c1c(=Cc2cccc(Cl)c2)sc2nc(-c3cccc(Cl)c3)nn12 254485362 RSRISKSEQPXQIP-UHFFFAOYSA-N 374.252 3.673 0 40 FHAB O=C(c1ccccc1)N1CC[C@@H]2[C@H](CCCN2C(=O)c2ccccc2F)C1 1775992388 RMEKCZOVSFKJFA-YLJYHZDGSA-N 366.436 3.593 0 40 FHAB Cc1ccc(Cc2nnc(NC(=O)[C@H]3[C@H]4c5ccccc5C[C@H]43)s2)cc1 625385511 BVGDXLURHABGLB-NZSAHSFTSA-N 361.470 3.962 0 40 FHAB O=C(/C=C/c1ccco1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 390831291 RAAPGKHNPDOHDH-BQYQJAHWSA-N 367.371 3.980 0 40 FHAB O=C(NCc1ccnc(-c2ccncc2)c1)c1cccc(Br)c1 390826842 QDSVNBPTULWHGE-UHFFFAOYSA-N 368.234 3.836 0 40 FHAB O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1Cc2ccccc2C1 518502508 HEYUKORKKDDJFX-UHFFFAOYSA-N 368.234 3.995 0 40 FHAB O=S(=O)(NCCc1csc(-c2ccc(F)cc2)n1)c1cccs1 5146223 RQRXQQRQUBJMEG-UHFFFAOYSA-N 368.480 3.532 0 40 FHAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)c1c[nH]c2ccccc12 5270512 JGYKVUKLCHBAGP-UHFFFAOYSA-N 362.410 3.713 0 40 FHAB Cc1ccc(N2C(=O)[C@H](C)S[C@]23C(=O)Nc2ccc(Cl)cc23)cc1 5760070 YSSLFHRIMYVOBL-BBATYDOGSA-N 358.850 3.922 0 40 FHAB Cc1cc(Cl)ccc1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O 5797347 MZQSPSBJDTUSDC-UHFFFAOYSA-N 367.792 3.743 0 40 FHAB CCn1cc(CC(=O)NCc2noc(-c3ccccc3)n2)c2ccccc21 12148639 GPZQWWVSPSWCOO-UHFFFAOYSA-N 360.417 3.570 0 40 FHAB Cc1cnc(NC(=O)CSc2nccn2-c2ccc(C)c(C)c2)s1 12743013 MCEWVOSTMOKRMJ-UHFFFAOYSA-N 358.492 3.985 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)N1CCN(Cc2ccccc2)CC1 13023475 XQVPHKYEWSZJAI-LJQANCHMSA-N 351.494 3.535 0 40 FHAB CC[C@H](C(=O)Nc1cc(C)cc(C)c1)N(c1ccc(C)cc1)S(C)(=O)=O 13713056 MYQWKWXGTNZHHZ-LJQANCHMSA-N 374.506 3.795 0 40 FHAB Cc1cc(C)c(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)c(C)c1 16971845 XXNPHAGULWDRKV-UHFFFAOYSA-N 373.518 3.639 0 40 FHAB Cc1ccc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1F 18111480 LLPJUGLRMGNSLI-UHFFFAOYSA-N 352.862 3.807 0 40 FHAB CC[C@H](C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1)n1nc(C)cc1C 19499373 ZPSSBVZSDODWNK-FXAWDEMLSA-N 373.472 3.908 0 40 FHAB COc1cccc(CN2CCO[C@H](c3cc4ccccc4cn3)C2)c1OC 19568014 COADAJGUGFIRAX-NRFANRHFSA-N 364.445 3.826 0 40 FHAB O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1cccc(F)c1)CN2Cc1ccccc1 19712632 ZEDUJEDZINZJMF-VWPQPMDRSA-N 352.453 3.853 0 40 FHAB CCc1csc(CC2CCN(Cc3ccsc3C(=O)O)CC2)n1 656191386 SSHCIKWROJPJAT-UHFFFAOYSA-N 350.509 3.920 0 40 FHAB CCn1c(S[C@H](C)C(=O)N2CCc3ccccc32)nnc1-c1ccco1 4516286 XOIDLFNAVRREFY-CYBMUJFWSA-N 368.462 3.628 0 40 FHAB COc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)o2)c1 6847627 GWZLZNGLMMFATC-SNVBAGLBSA-N 361.448 3.926 0 40 FHAB CCn1c(=O)n(CCC(=O)N(C)[C@@H](C)c2ccc(F)cc2)c2ccccc21 21975266 KEEYWQKNHOBEGX-HNNXBMFYSA-N 369.440 3.572 0 40 FHAB CN(C)c1cccc(C(=O)N2CC[C@@H](Oc3cccc4cccnc34)C2)c1 244983783 IQXXVBUXCNCVES-LJQANCHMSA-N 361.445 3.594 0 40 FHAB Cc1cccc(-c2nnc(SCC(=O)N3CCc4ccccc43)o2)c1 882263 HVIILRYWODDJHB-UHFFFAOYSA-N 351.431 3.726 0 40 FHAB CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCN(c2ccccc2)CC1 1080725 IQWJIFZMFQRBRZ-UHFFFAOYSA-N 363.383 3.990 0 40 FHAB CCOC(=O)CSc1nc(NCc2ccccc2)c2ccccc2n1 2932993 NRSBIPDVAKMFOH-UHFFFAOYSA-N 353.447 3.897 0 40 FHAB COc1cccc(-c2cc(CNC(=O)c3cc(Cl)ccc3OC)no2)c1 11613492 VTSJONCCYOKHPJ-UHFFFAOYSA-N 372.808 3.942 0 40 FHAB CN1C(=O)CCc2cc(NC(=O)c3ccc(Br)cc3)ccc21 16916586 LKPHCBUWFKARGP-UHFFFAOYSA-N 359.223 3.610 0 40 FHAB COc1cc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)cc(OC)c1 40143332 KZVFKMNXYBAFIE-UHFFFAOYSA-N 374.400 3.666 0 40 FHAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cnn(-c2ccccc2)c1 31265731 RIBKMWZIRNGMHT-FQEVSTJZSA-N 363.417 3.682 0 40 FHAB Cc1cc(=O)[nH]c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1 51353941 AUCDXFLVCHPQAX-KRWDZBQOSA-N 369.421 3.690 0 40 FHAB Cc1nc(CN2CCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CC2)cs1 32332858 QIJWIQUMXFRNOM-UHFFFAOYSA-N 368.506 3.508 0 40 FHAB Cc1cc(N2CCC(N3CCNC3=O)CC2)nc2c(C(C)C)cccc12 52486894 MAXHOLMDSGSORB-UHFFFAOYSA-N 352.482 3.661 0 40 FHAB CNC(=O)c1cccc(N[C@H](C(=O)Nc2ccccc2)c2ccccc2)c1 32850989 XWUZHPODLZKKRX-FQEVSTJZSA-N 359.429 3.838 0 40 FHAB O=C(Oc1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1)c1ccccc1F 102612692 NAIALCSIEOXFHA-IYBDPMFKSA-N 365.360 3.501 0 40 FHAB O=C(Nc1cccc(-n2cccc2)c1)[C@@H]1CCCN(C(=O)c2ccco2)C1 32933223 UMXSAGWRDJEUFO-MRXNPFEDSA-N 363.417 3.561 0 40 FHAB O=C(CCCc1cccs1)NCc1ccc(OC[C@H]2CCCO2)cc1 32930232 AZULGHIWWLBLOJ-GOSISDBHSA-N 359.491 3.945 0 40 FHAB CC(=O)Nc1ccc(N[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)cc1 33040159 LECGDLIFOOXVPA-JLTOFOAXSA-N 351.450 3.639 0 40 FHAB CN1CCN(Cc2cccc(C(=O)c3cccc(Cl)c3Cl)c2)CC1 22028063 UEGCGOULNAUDQG-UHFFFAOYSA-N 363.288 3.972 0 40 FHAB CCOC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(F)cc1 4852390 UYYDKETYMZKZIB-UHFFFAOYSA-N 361.398 3.630 0 40 FHAB CCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C1=O 6951710 IXRMUCUUEWFRGP-GZTJUZNOSA-N 356.809 3.832 0 40 FHAB CCOc1ccc(C(=O)Nc2ccc(OC)c(N)c2)cc1Br 57340446 GYMUVGYUNKWHHO-UHFFFAOYSA-N 365.227 3.691 0 40 FHAB CCOC(=O)c1cnn(-c2nnc(-c3ccc(C)cc3)c3ccccc23)c1N 939301 VDRGMEHAMHTXGM-UHFFFAOYSA-N 373.416 3.550 0 40 FHAB O=C(COC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccc(F)cc1 8040466 GREPUAUQLBTNQM-UHFFFAOYSA-N 367.332 3.711 0 40 FHAB O=C(c1csc(-c2cccs2)n1)N1CCN(c2ccccc2F)CC1 12533352 SCXFDFGXULRGQW-UHFFFAOYSA-N 373.478 3.973 0 40 FHAB COc1ccccc1-n1cnn(CN2CCC[C@H](C(F)(F)F)C2)c1=S 12534733 XSWRCSJVWIYHHG-LBPRGKRZSA-N 372.416 3.644 0 40 FHAB CC[C@@H](c1nnnn1C(C)(C)CC)N1CCN(c2cccc(C)c2C)CC1 57669806 KWHJYBDMLGXOGW-SFHVURJKSA-N 370.545 3.708 0 40 FHAB Cc1ccc(C)c(NC(=O)[C@H](C)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)c1 56172213 KTBCDSDRBRUTJK-CVEARBPZSA-N 365.477 3.866 0 40 FHAB CN1CCC(CCNC(=O)c2ccccc2CCc2ccccc2)CC1 72328170 CTAPHEWOQLNYDR-UHFFFAOYSA-N 350.506 3.934 0 40 FHAB Cc1c(C(=O)Nc2nc(-c3ccncc3)cs2)cnn1-c1ccccc1 72406384 SLXWNSFYMOLUBK-UHFFFAOYSA-N 361.430 3.952 0 40 FHAB COc1ccc(CNC(=O)c2cn(C)nc2-c2ccccc2Cl)cc1 108671712 YAEALPGHWNPLGM-UHFFFAOYSA-N 355.825 3.679 0 40 FHAB CN(C)[C@@H](CNC(=S)N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1c(F)cccc1Cl 102971711 RADUOTONZMWTEX-BHTHQVBYSA-N 369.937 3.735 0 40 FHAB O[C@H](COC[C@@H]1C[C@@H]2CC[C@@H]1C2)CN1CCC(Cc2ccccc2)CC1 101244443 LEDFADQRHWJSEN-LUKWVAJMSA-N 357.538 3.755 0 40 FHAB Cc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4ccco4)C3=O)co2)c(C)c1 58214513 HSVJWQUHOVRFAW-FQEVSTJZSA-N 365.389 3.519 0 40 FHAB O=C(N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1)c1ccc(=O)[nH]c1 24658895 MMZSITLSVIUBNQ-FQEVSTJZSA-N 364.470 3.835 0 40 FHAB CCn1c([C@H]2CCCN2C(=O)Nc2ccc(OC)nc2)nc2ccccc21 58323746 GZOCEPIHRNSNFR-QGZVFWFLSA-N 365.437 3.829 0 40 FHAB CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(C)s2)c1C 58306597 ZYFJUQDGOLWDIW-UHFFFAOYSA-N 352.481 3.769 0 40 FHAB CCCCCN1C(=O)[C@@H](C(=O)OCC)[C@H](C(C)C)n2c1nc1ccccc12 20675509 OUWGCJRMTRGRLZ-ROUUACIJSA-N 371.481 3.950 0 40 FHAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)Cc1ccc(Cl)cc1 20137127 ISCUKTMKWDFKIX-UHFFFAOYSA-N 354.189 3.881 0 40 FHAB CC(C)c1nnc(SCC(=O)N(C)c2ccccc2)n1Cc1ccco1 10929078 VABIBXBLBVRSCW-UHFFFAOYSA-N 370.478 3.798 0 40 FHAB CC[C@@H]1c2ccsc2CCN1C(=O)NCc1cccc(NC(C)=O)c1 45617215 KCLRBRQJRYHMCW-QGZVFWFLSA-N 357.479 3.926 0 40 FHAB C[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(OCc2cccnc2)cc1 45744561 NHCBWFVXWZWLCR-MRXNPFEDSA-N 368.458 3.700 0 40 FHAB Cc1cc(OCC(=O)NCc2cnn(-c3ccccc3)c2)ccc1Cl 11560887 DQCFGDKQCUJHBK-UHFFFAOYSA-N 355.825 3.529 0 40 FHAB C[C@@H](NC(=O)N[C@H](c1ccccc1F)c1nccn1C)c1ccccc1F 29330503 BIFKCODWDSBOSY-FZKQIMNGSA-N 370.403 3.848 0 40 FHAB Cc1ccc2c(c1)[nH]c1c(N3CCN(Cc4ccccc4)CC3)ncnc12 59837384 DELDQGNRAOOFAU-UHFFFAOYSA-N 357.461 3.742 0 40 FHAB O=C(Cc1csc(-c2ccccn2)n1)NCCc1cccc2cccnc12 12886263 FYGLCACKLLVFNO-UHFFFAOYSA-N 374.469 3.655 0 40 FHAB Cc1cccc(-n2nnnc2SCCCC(=O)c2ccc(F)cc2)c1 2620530 GSSLLLQYVBLLIN-UHFFFAOYSA-N 356.426 3.865 0 40 FHAB Cc1ccc2nc(CSc3ncnc4sc(C)c(C)c34)cc(=O)n2c1 2624017 IGTVFOSINNFREG-UHFFFAOYSA-N 368.487 3.917 0 40 FHAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)NC1CCCCC1 3450956 OBTAQOZXCKJKRL-UHFFFAOYSA-N 366.461 3.719 0 40 FHAB CN(C)C(=O)c1ccc(NC(=O)CCc2nc3ccccc3s2)cc1 12930455 VTRKSEILVMCKAS-UHFFFAOYSA-N 353.447 3.569 0 40 FHAB CCCOc1ccccc1OCC(=O)N1CCC(c2ccc(O)cc2)CC1 12973017 JIBOIENQWOLISW-UHFFFAOYSA-N 369.461 3.966 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 13012074 ZWOWCGKXFBOVBK-IRXDYDNUSA-N 364.449 3.563 0 40 FHAB CC(C)[C@@H](NC(=O)C(=O)Nc1cccc2ncccc12)c1cccs1 49300640 MBBGRDGLIBXRFX-QGZVFWFLSA-N 353.447 3.748 0 40 FHAB O=C(O)c1ccc(COc2ccc3c4c(c(=O)oc3c2)CCCC4)cc1 5214121 SEQSAFGFIWCZNA-UHFFFAOYSA-N 350.370 3.949 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1C(=O)NCC(C)C 408582855 FLCGWMWTQBKNSM-UHFFFAOYSA-N 374.506 3.798 0 40 FHAB Cc1cc(N2CCCC2)ccc1NC(=O)CSc1ccc(Cl)nn1 14147167 MACUUNQVWXOMOP-UHFFFAOYSA-N 362.886 3.769 0 40 FHAB O=C(O)C[C@]1(C(=O)NC2CCCCCC2)CC(/C=C/c2ccccc2)=NO1 5451530 NJNINVHNPLSWPV-IWGBCORSSA-N 370.449 3.529 0 40 FHAB COc1ccc(Nc2nc(C(=O)NCCc3ccccc3)cs2)cc1 4675033 ZRMMYLVFFBVFOI-UHFFFAOYSA-N 353.447 3.868 0 40 FHAB CCCOc1c(Cl)cc(CN2CCCC3(C2)OCCO3)cc1OCC 96003619 IENQWLQODPRDNW-UHFFFAOYSA-N 369.889 3.866 0 40 FHAB O=C(COC(=O)COc1ccc(Cl)cc1)Nc1ccc(F)c(Cl)c1 5615786 HXCYNHZVTNNSPK-UHFFFAOYSA-N 372.179 3.693 0 40 FHAB COc1ccc2oc(=O)c(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2c1 6779901 SVQGHQJBMZGHTE-UHFFFAOYSA-N 353.418 3.500 0 40 FHAB NC1=Nc2nc3ccccc3n2[C@H](c2ccc(SC(F)(F)F)cc2)N1 9318929 PJTHFDAAKPZOAQ-CYBMUJFWSA-N 363.368 3.745 0 40 FHAB O=C(NCc1ccoc1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 67065388 LOUSFGXHZYRSOD-HNNXBMFYSA-N 355.221 3.870 0 40 FHAB COc1ccccc1-n1c(-c2ccc(Cl)cc2)cnc1SCC(N)=O 5969738 MIZAYHYKDXRZPG-UHFFFAOYSA-N 373.865 3.779 0 40 FHAB CNC(=S)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cccc2nccnc12 72314591 DMUIJHGKXIXCTC-GOSISDBHSA-N 361.474 3.594 0 40 FHAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21 7104871 QQCYDUMJURKQJN-INIZCTEOSA-N 359.788 3.652 0 40 FHAB Cc1nc2cc(NC(=O)[C@H](NC(=O)c3cccs3)C(C)C)ccc2o1 15627100 IMCCKFZHQRGJRM-MRXNPFEDSA-N 357.435 3.591 0 40 FHAB Cc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC3 15841942 CXGHXUPLDNQBQB-UHFFFAOYSA-N 358.850 3.948 0 40 FHAB CNC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)s2)cc1 7524863 UBVIUGAVJPVJQZ-UHFFFAOYSA-N 354.884 3.633 0 40 FHAB CCc1ccccc1NC(=O)c1cn(-c2ccc(Cl)c(OC)c2)nn1 19814225 HZAYCWRIIVNRLN-UHFFFAOYSA-N 356.813 3.744 0 40 FHAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccnn1C1CCCCC1 7990534 PWXZTSRXGGWJTL-UHFFFAOYSA-N 355.438 3.781 0 40 FHAB Cn1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c2ccccc21 8075559 XILHVANJZFOSSL-UHFFFAOYSA-N 353.853 3.794 0 40 FHAB CCOc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2)c(OCC)cc1C 16780138 QDLPPZMJJZOBNZ-HNNXBMFYSA-N 363.479 3.832 0 40 FHAB Cc1ccc(Nc2nc(N3C[C@H](C)C[C@@H](C)C3)nc3c2cnn3C)cc1 17042394 VHOAJMWCLXVVHF-HUUCEWRRSA-N 350.470 3.898 0 40 FHAB C[C@H](NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(F)cc1F 18015476 UIQJEEBDYGPHFG-ZDUSSCGKSA-N 374.431 3.870 0 40 FHAB O=C(NCc1ccccc1CN1CCCC1)N1CC[C@H](c2ccccc2)C1 69922733 MQEHLGCZIYVZQT-QFIPXVFZSA-N 363.505 3.982 0 40 FHAB Cc1c(C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)oc2ccc(F)cc12 69950635 WVINQSZSEABRHI-CKEIUWERSA-N 374.456 3.594 0 40 FHAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccccc1[C@H](O)C(C)C 89801788 QYMXSSWYZQAHEL-OAQYLSRUSA-N 355.434 3.768 0 40 FHAB C[C@H](C(=O)N1CCN([C@@H](C)c2cccnc2)CC1)c1cc2ccccc2o1 176397409 MLHYGESMPBWNMS-IRXDYDNUSA-N 363.461 3.837 0 40 FHAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(Cl)c2)c1 20049810 JCXRPGJYEPRRTN-UHFFFAOYSA-N 359.234 3.617 0 40 FHAB O=C(NCCc1ccn(-c2ccccc2)n1)c1cc(F)c(F)cc1Cl 512410468 GYCNRYVKBNXWAL-UHFFFAOYSA-N 361.779 3.776 0 40 FHAB CC(C)(C)c1ncc2c(n1)CCN(C(=O)c1ccc(-c3cnco3)cc1)C2 529683172 BVOBLLDMRBGRAA-UHFFFAOYSA-N 362.433 3.628 0 40 FHAB O=C(Nc1ccnn1Cc1ccco1)c1cc(=O)c2cc(Cl)ccc2o1 32593419 VGZOKRDQZSLRID-UHFFFAOYSA-N 369.764 3.537 0 40 FHAB C[C@]1(C(=O)N[C@H](c2ccccc2)C(F)(F)F)Cc2ccccc2C(=O)O1 79181638 GGKPPALFXPTABP-CRAIPNDOSA-N 363.335 3.578 0 40 FHAB Nc1c(C(=O)N2CCCCCC2)sc2nc3cc4c(cc3cc12)OCO4 35314526 KUMVVTZRLQGYFS-UHFFFAOYSA-N 369.446 3.777 0 40 FHAB CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1 49466938 RXFHEIFPGNOEKV-ZNOIYHFQSA-N 353.418 3.859 0 40 FHAB COc1ccc(-c2nc3cnccn3c2NCc2ccco2)cc1OC 72341899 YNQSFKMQJXWRNI-UHFFFAOYSA-N 350.378 3.619 0 40 FHAB CCCn1nc(C(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)ccc1=O 40122592 ABXSWUVXJWYKJS-QGZVFWFLSA-N 359.445 3.700 0 40 FHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C 225012443 BMMFMBJZJZOERF-RTBURBONSA-N 354.523 3.952 0 40 FHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1C 222928634 XJBXDQWHKOOGBW-HNNXBMFYSA-N 359.491 3.922 0 40 FHAB Cc1nc(C2CC2)ncc1C(=O)Nc1ccc(Br)cc1F 222564394 OAHXLHZHRZZHOB-UHFFFAOYSA-N 350.191 3.816 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 223042280 NDBANZRMOCNSIU-IBGZPJMESA-N 372.896 3.744 0 40 FHAB O=C(CC1=CCCCC1)N1Cc2cccn2[C@@H](COCc2ccncc2)C1 247882421 VYFYWBBJLGPWIM-OAQYLSRUSA-N 365.477 3.874 0 40 FHAB O=C(c1cncnc1)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257302298 SCJSMMXKPQRJHW-GOSISDBHSA-N 366.396 3.562 0 40 FHAB O=C(c1ccccn1)N1CCC[C@H](c2ncc(Cc3ccccc3F)o2)C1 257219508 DHASRXWCLIKJPS-INIZCTEOSA-N 365.408 3.819 0 40 FHAB Cc1nc(Nc2nc(C)c(C)s2)cc([C@H]2CCN(C(=O)C(C)C)C2)n1 257242638 IDKUIVWXHOJGMO-AWEZNQCLSA-N 359.499 3.574 0 40 FHAB Cc1nn(-c2ccccc2)c(C(F)(F)F)c1I 36453095 YPOYEBGCEXYSSJ-UHFFFAOYSA-N 352.097 3.804 0 40 FHAB CCCC(=O)Nc1nc2ccc(NC(=O)c3c[nH]nc3CC)cc2s1 618345839 LPVVGTUHSDUZHS-UHFFFAOYSA-N 357.439 3.573 0 40 FHAB COc1ccc2c(c1)CCC[C@H]2NC[C@@H]1CCCO[C@H]1c1nccn1C 657337334 RFCRWRMUYIECRH-PWIZWCRZSA-N 355.482 3.564 0 40 FHAB Cn1ncc(NC(=O)N2CCS[C@@H](c3ccccc3)C2)c1C(F)F 677623729 DVASNHGOKOJYDX-CYBMUJFWSA-N 352.410 3.680 0 40 FHAB O=S(=O)(c1ccccc1)C1(c2nc([C@H]3CCc4ccccc43)no2)CC1 680748006 UFTXMRNJNDIRQM-KRWDZBQOSA-N 366.442 3.611 0 40 FHAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3C)o2)c1 12674560 JTEPHBFLBAVBJU-UHFFFAOYSA-N 369.446 3.996 0 40 FHAB Cc1ccc2cc(CN(Cc3ccco3)C(=O)c3cccnc3)c(=O)[nH]c2c1 13540528 LGUZPZBKDYVMMV-UHFFFAOYSA-N 373.412 3.667 0 40 FHAB COc1ccc(S(=O)(=O)NCc2cccc(OC(C)C)c2)cc1Cl 13647200 GYIBJZDNKHTSHN-UHFFFAOYSA-N 369.870 3.614 0 40 FHAB CCn1cc(-c2cc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)no2)cn1 19719265 KBVKOWXCQGGSCU-INIZCTEOSA-N 366.421 3.590 0 40 FHAB COc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cc1N 226349649 BTDMKHSCTDITSU-UHFFFAOYSA-N 355.619 3.946 0 40 FHAB COc1cc(C(=O)Nc2ccc3nc(C)sc3c2)cc(OC)c1OC 1508147 DZXQVXIUWCJCJK-UHFFFAOYSA-N 358.419 3.883 0 40 FHAB CC(=O)Nc1ccc(NC(=O)COC(=O)C2CCC(C(C)(C)C)CC2)cc1 4846655 RDUDCLPKKYSUBX-UHFFFAOYSA-N 374.481 3.979 0 40 FHAB CCCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)CCc1ccccc1 20613109 FJTOVQFIBKIAOR-MRXNPFEDSA-N 359.491 3.621 0 40 FHAB O=C1CC2(CCN(Cc3ccccc3Cl)CC2)Nc2ccccc2CN1 2037978110 BMFCYFJMCURDOM-UHFFFAOYSA-N 369.896 3.807 0 40 FHAB COc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 4275391 SGAGFGHDYMXSAK-UHFFFAOYSA-N 368.414 3.842 0 40 FHAB Cc1ccc2nc(C)c(NC(=O)c3cccc(C(F)(F)F)c3)c(=O)n2c1 12180738 URFFHFKLRWDJLZ-UHFFFAOYSA-N 361.323 3.582 0 40 FHAB CCOc1ccc(-c2noc(-c3c[nH]c4ccc(F)cc4c3=O)n2)cc1 57354791 JWBPSWVIYLYMMJ-UHFFFAOYSA-N 351.337 3.783 0 40 FHAB O=C(NCc1nnc2n1CCCCC2)c1sc2ccccc2c1Cl 40012905 LDUJZKKQRVNZCI-UHFFFAOYSA-N 360.870 3.803 0 40 FHAB O=C(Nc1ccccc1N1CCCCC1)N1CCN(Cc2ccco2)CC1 40098349 DNRXOZDZXVMSKY-UHFFFAOYSA-N 368.481 3.620 0 40 FHAB CN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 40159649 TZJDNJFRICBQBC-HNNXBMFYSA-N 352.862 3.698 0 40 FHAB CC[C@H](C(=O)Nc1ccc(CCN2CCOCC2)cc1)c1ccccc1 40157052 GZFYQTBFYQAWQK-NRFANRHFSA-N 352.478 3.694 0 40 FHAB O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2cccc(F)c2)CC1 20437805 AYOIWWFJVVMSSO-UHFFFAOYSA-N 366.358 3.803 0 40 FHAB O=S(=O)(Oc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCCO2 21325261 NGEBENQFXMJPNY-UHFFFAOYSA-N 374.336 3.634 0 40 FHAB O=C(Oc1ccc(Br)cc1F)c1cccnc1N1CCCC1 21841732 SRAKHNMGHNUKIM-UHFFFAOYSA-N 365.202 3.803 0 40 FHAB O=C1C[C@H](c2ccccc2)N(Cc2ncc(-c3ccc(F)cc3)o2)CCN1 52834652 FGZCMPDVUBLEDY-GOSISDBHSA-N 365.408 3.544 0 40 FHAB COc1ccc(Cl)cc1NC1=C(Cl)C(=O)N(c2ccccc2)C1=O 703474 PCHRSKZNZNMRCJ-UHFFFAOYSA-N 363.200 3.784 0 40 FHAB COc1ccc(N2C(=O)C(Cl)=C(Nc3cccc(Cl)c3)C2=O)cc1 703483 VVJUOMUULCPIEY-UHFFFAOYSA-N 363.200 3.784 0 40 FHAB COc1ccc(CN2c3cccc[n+]3C[C@]2(O)c2ccc(Cl)cc2)cc1 787817 HIVMWJZEACVTIW-NRFANRHFSA-N 367.856 3.502 0 40 FHAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 812313 FWBUYISHLIRSSB-UHFFFAOYSA-N 370.430 3.950 0 40 FHAB COc1cccc2c(=O)cc(C)n(CC(=O)Nc3ccc(C)c(C)c3)c12 1282629 GGROAJXCPUBXBG-UHFFFAOYSA-N 350.418 3.574 0 40 FHAB O=C1CCC(=O)N1c1nn(Cc2ccc(Cl)c(Cl)c2)cc1Cl 2732594 XHLHQGQZNUVSTJ-UHFFFAOYSA-N 358.612 3.545 0 40 FHAB COc1ccc([C@]2(O)CN(c3cccc(C)c3)C3=[N+]2CCCCC3)cc1 2974646 KZSQMXJMVOZNRC-JOCHJYFZSA-N 351.470 3.654 0 40 FHAB CCOC(=O)c1ccc(NC(=O)CSc2ncnc3ccccc23)cc1 3253934 CLDYZEBVPBGLRB-UHFFFAOYSA-N 367.430 3.537 0 40 FHAB Cc1cc(S(=O)(=O)N(C)Cc2ccccc2F)ccc1Br 3434130 JINPVHANXCANRD-UHFFFAOYSA-N 372.259 3.717 0 40 FHAB O=C1C[C@H](c2nc3ccccc3[nH]2)CN1c1ccccc1Br 4033460 BLDDMZXXFLERKE-NSHDSACASA-N 356.223 3.846 0 40 FHAB COC(=O)c1cccc2c1[S@](=O)OC2(c1ccccc1)c1ccccc1 4142985 ITHKHPTWLYXMOA-SANMLTNESA-N 364.422 3.818 0 40 FHAB CCn1c(COc2cccc3ccccc23)nnc1S[C@H](C)C(=O)OC 4169194 JMPXZBFWFPWPEC-CYBMUJFWSA-N 371.462 3.684 0 40 FHAB Nc1c(-c2nc(-c3ccc(Cl)cc3)no2)nnn1-c1cccc(Cl)c1 4313475 KVIONXIHLMUKEZ-UHFFFAOYSA-N 373.203 3.873 0 40 FHAB Cc1cc(C)cc(N2C[C@H](C(=O)Nc3nc4ccccc4s3)CC2=O)c1 4571983 AMMCTCGWEVAMJF-CQSZACIVSA-N 365.458 3.905 0 40 FHAB Cc1cccc(-c2cc3nc4c(c(NCCCn5ccnc5)n3n2)CCC4)c1 4902494 CSQNMQFFWZGIGL-UHFFFAOYSA-N 372.476 3.892 0 40 FHAB CCn1c(S[C@@H](C)C(=O)NC2CCCC2)nnc1-c1ccccc1OC 5131270 HTUBMXHESHLMQU-ZDUSSCGKSA-N 374.510 3.513 0 40 FHAB CCOc1ccc(Cc2nnc(Nc3ccc(C)cc3C)[nH]c2=O)cc1 5154388 DDKDUJLMYSYZDH-UHFFFAOYSA-N 350.422 3.515 0 40 FHAB Cc1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c(C)c1 5196189 SYDAJYDBEOGWOB-OAHLLOKOSA-N 357.841 3.884 0 40 FHAB Fc1cccc(-n2nnnc2SCc2ccccc2Br)c1 5796514 XGCQYGJYJFPNTK-UHFFFAOYSA-N 365.231 3.856 0 40 FHAB Cc1nnc(COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)o1 5843893 NFXGHHRJVVXJIH-UHFFFAOYSA-N 356.765 3.619 0 40 FHAB O=C(CN1C(=O)c2cccc3cccc1c23)NCCc1ccc(Cl)cc1 6231620 XBWRKBCLGWCRMI-UHFFFAOYSA-N 364.832 3.812 0 40 FHAB O=C(Cn1nnc(-c2cccs2)n1)N(c1ccccc1)C1CCCCC1 6589691 MFKJUXQJYHAHRT-UHFFFAOYSA-N 367.478 3.768 0 40 FHAB COc1ccccc1-c1noc(CSc2nncn2-c2ccccc2)n1 6983967 DJRXDUULEQDGKJ-UHFFFAOYSA-N 365.418 3.618 0 40 FHAB COc1ccc2nc(S[C@@H](C)C(=O)Nc3cc(F)ccc3F)[nH]c2c1 7096479 LRTGTTKORWOCMX-VIFPVBQESA-N 363.389 3.969 0 40 FHAB COCc1ccc(C(=O)Nc2ccc(I)cc2)cc1 7473816 SRYHNEBCEDTIJG-UHFFFAOYSA-N 367.186 3.690 0 40 FHAB CC(=O)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 7928646 HSVOXYOHXSVDTI-AWEZNQCLSA-N 371.820 3.810 0 40 FHAB COc1cc(Br)c(CC(=O)Nc2ccccc2F)cc1OC 8071577 CMFGSRUOPVUQSW-UHFFFAOYSA-N 368.202 3.787 0 40 FHAB COc1ccccc1CNC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1C 8136203 WXUGTTOETDEUCG-UHFFFAOYSA-N 363.461 3.795 0 40 FHAB O=C(Cc1ccc(Br)cc1)NCCCn1cnc2ccccc21 8136241 WRMAJZFMAIRFCT-UHFFFAOYSA-N 372.266 3.548 0 40 FHAB CSCc1ccc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)o1 8935577 WOLXHDGFCWLHAP-UHFFFAOYSA-N 372.368 3.687 0 40 FHAB COc1cccc2cc(-c3nnc(NC(=O)c4ccc(F)cc4)o3)oc12 9166646 KLVZADDAEWVCSG-UHFFFAOYSA-N 353.309 3.883 0 40 FHAB CCOC(=O)C1CCN(c2ncnc3sc4c(c23)CC[C@H](C)C4)CC1 9377401 LUWNJOVPJWBZGU-LBPRGKRZSA-N 359.495 3.596 0 40 FHAB CS(=O)(=O)Nc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1 11089639 AGZRHANGSZRKOI-UHFFFAOYSA-N 364.810 3.710 0 40 FHAB CCOc1ncccc1C(=O)OCc1cc(-c2ccc(OC)cc2)no1 11151767 UYONNQKCJHSMFJ-UHFFFAOYSA-N 354.362 3.501 0 40 FHAB COc1ccc2nc(-c3ccc(F)c(NC(=O)C4CCCC4)c3)cn2n1 11693532 GWSOOKWARQULJV-UHFFFAOYSA-N 354.385 3.673 0 40 FHAB COc1ccc(N(C(=O)C(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 12082631 IQCLPPVCIDKEQY-UHFFFAOYSA-N 361.463 3.772 0 40 FHAB COc1ccc(CN2CCC3(CC2)CC(=O)c2cc(F)ccc2O3)cc1 12113648 SSRIOFXZTQKFJW-UHFFFAOYSA-N 355.409 3.834 0 40 FHAB CCOC(=O)C1(Cc2cc(-c3ccccc3C)no2)CCN(CC)CC1 12274952 NJLDLLYQPCUWJF-UHFFFAOYSA-N 356.466 3.858 0 40 FHAB CCOc1ccc2nc(NC(=O)CSc3nc(C)c(C)[nH]3)sc2c1 12412320 PLDOSSJWEKCXNV-UHFFFAOYSA-N 362.480 3.766 0 40 FHAB CC(=O)N1CCC(C(=O)Nc2nc(-c3cc(C)sc3C)cs2)CC1 12602081 SFTJWQCYRVIDKN-UHFFFAOYSA-N 363.508 3.685 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 12818327 GRVKJNXXJBGLHC-KPZWWZAWSA-N 372.852 3.811 0 40 FHAB O=S(=O)(c1ccc(Cl)cc1F)N(Cc1ccc(F)cc1)C1CC1 12880408 QFEHMPVXIIEWLS-UHFFFAOYSA-N 357.809 3.972 0 40 FHAB O=C(N[C@@H]1CCc2ccccc21)c1cccc(I)c1 12947150 QVERQHOHNPRQBS-OAHLLOKOSA-N 363.198 3.709 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)CN[C@H](C)c1cccc(Cl)c1 13040182 UIXODTADPSKQRM-CYBMUJFWSA-N 360.841 3.806 0 40 FHAB CC[C@@H](C(=O)Nc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714100 LJYPLEVOMLQGIP-INIZCTEOSA-N 366.870 3.523 0 40 FHAB CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1ccccc1 14425311 BMMAMJKPAPDALD-IBGZPJMESA-N 374.506 3.848 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1OC 14796170 TUSZCMPBJGKFOW-SZGUKTLCSA-N 352.434 3.875 0 40 FHAB Cc1ccc(OCC(=O)NCc2ccc(CN3CCCC3)cc2)c(C)c1 15140117 OGBXBZMTGXJOQI-UHFFFAOYSA-N 352.478 3.594 0 40 FHAB O=C(Cn1cnc2c(sc3ccccc32)c1=O)Nc1ccc(F)c(F)c1 17201084 XMRDFQTYPORKAT-UHFFFAOYSA-N 371.368 3.528 0 40 FHAB Cc1cc(-c2cnc(C)nc2[C@H]2CCCN2C(=O)c2cccc(F)c2)on1 19122485 WIRXUJFUHRNVAH-QGZVFWFLSA-N 366.396 3.865 0 40 FHAB Cc1ccc(Cl)cc1-n1nnc(C(=O)Nc2ccc([C@@H](C)O)cc2)c1C 19814246 GMFLIUGCGMNFFY-CYBMUJFWSA-N 370.840 3.843 0 40 FHAB O=C(Cn1ccc2ccc(Br)cc21)N1CCc2ccccc21 20716466 WVNNYSVCUWGYGW-UHFFFAOYSA-N 355.235 3.993 0 40 FHAB COc1ccc(CCC(=O)N[C@H](CC(C)C)c2nnc3ccccn23)cc1 20736180 SIGFZBDJGZYEEZ-GOSISDBHSA-N 366.465 3.574 0 40 FHAB CC(C)[C@@H](C)Nc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl 21673610 SRGAENBOAKHSDR-SECBINFHSA-N 360.767 3.756 0 40 FHAB O=C(CCc1ncc(-c2ccccc2F)o1)Nn1cnc2ccccc21 22276881 CYEJXWKDUWOZTR-UHFFFAOYSA-N 350.353 3.533 0 40 FHAB CN(C)CCCN1CN=C(c2ccccc2)N(c2ccc(Cl)cc2)C1 22609051 PQBVMLDKOPIJNS-UHFFFAOYSA-N 356.901 3.776 0 40 FHAB S=c1oc2cc(Cl)ccc2n1CN1CCN(Cc2ccncc2)CC1 22924250 FPAPSSZUGBJHAP-UHFFFAOYSA-N 374.897 3.787 0 40 FHAB CCOc1ccc(CCNC(=O)CCOc2ccccc2)cc1OCC 23055249 LXNSJZKPCRUJEI-UHFFFAOYSA-N 357.450 3.612 0 40 FHAB Cc1nc(-c2ccccc2)ccc1C(=O)N(C)C[C@H]1COc2ccccc2O1 23184069 UBZFVVHRQAIOEJ-SFHVURJKSA-N 374.440 3.969 0 40 FHAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NOCc3ccccc3)c12 25286637 QXYARIQMVSQYPW-UHFFFAOYSA-N 372.428 3.805 0 40 FHAB O=C(c1cc(-c2ccccc2)on1)N1CCN(c2cccc(Cl)c2)CC1 27581226 KNKIGYPYEVXICW-UHFFFAOYSA-N 367.836 3.957 0 40 FHAB COc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1C 27744178 VPDLPSCWMXVGLZ-LBPRGKRZSA-N 371.368 3.599 0 40 FHAB CCN(CC)c1ccc(NC(=O)CCn2cc(Br)cn2)cc1 28235703 WHDNUXFJEBSMTJ-UHFFFAOYSA-N 365.275 3.521 0 40 FHAB CC[C@H](NS(=O)(=O)Cc1ccccc1Cl)c1ccc(OC)cc1 30758719 DMGMDBXGMFRPEK-KRWDZBQOSA-N 353.871 3.919 0 40 FHAB CCN(CC)[C@H](CNC(=O)c1ccc(C(C)=O)s1)c1ccsc1 31985921 DIAOYAIOAZFYAF-CQSZACIVSA-N 350.509 3.825 0 40 FHAB Cn1nccc1/C=C/C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 32462099 SIFWWDSHLVCNPF-IZZDOVSWSA-N 351.381 3.681 0 40 FHAB CN(C(=O)CCc1nc(-c2ccsc2)no1)[C@@H]1CCc2ccccc21 32905680 VDDAGMIQOFGLJF-MRXNPFEDSA-N 353.447 3.877 0 40 FHAB Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)CCC(=O)O)cc12 32916841 NXLSSUNJRVMZGQ-UHFFFAOYSA-N 355.438 3.583 0 40 FHAB COc1ccccc1C(=O)COC(=O)Cc1coc2cc3c(cc12)CCC3 32957455 GKNSUFUWOINPNF-UHFFFAOYSA-N 364.397 3.899 0 40 FHAB Cc1ccc(-n2ccc(=O)c(-c3nc(-c4ccccc4C)no3)n2)cc1C 33300392 PCDKJMAOVZVJGH-UHFFFAOYSA-N 358.401 3.875 0 40 FHAB Cn1c2ccc(F)cc2c2nnc(SCc3nc4ccccc4[nH]3)nc21 35314407 FGCCJDXZHZUBQM-UHFFFAOYSA-N 364.409 3.824 0 40 FHAB COCCN1CCCc2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc21 35588229 JJPPYQYIGKGFKY-UHFFFAOYSA-N 374.506 3.503 0 40 FHAB COc1ccc(/C=C2\Sc3nnc(C(F)F)n3N=C2C)c(OC)c1 35667262 AKWRKDSCHXXWJY-SDQBBNPISA-N 352.366 3.604 0 40 FHAB Fc1ccccc1CN(Cc1ccnn1[C@H]1CCCCO1)C[C@@H]1CCCO1 36740590 SDBCIURBGJXRHL-PZJWPPBQSA-N 373.472 3.903 0 40 FHAB COc1ccc(CCNCc2cc(=O)oc3cc(C)c(C)cc23)cc1OC 38538201 FTXNIAGANRGKRW-UHFFFAOYSA-N 367.445 3.759 0 40 FHAB COc1ccc(OCCNC(=O)CCSc2ccc(F)c(F)c2)cc1 39995649 NGQUATRNSHLPSX-UHFFFAOYSA-N 367.417 3.651 0 40 FHAB COc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCCC2)cc1OC 41340681 ZJPKYWFDQSIBTR-LJQANCHMSA-N 368.477 3.661 0 40 FHAB C[C@@H](SCc1ccccc1)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 44342826 DXYSCNWHIHWYDT-HZPDHXFCSA-N 366.490 3.766 0 40 FHAB COc1ccccc1CC(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 44891481 XKBKYBIMWWSLAD-SFHVURJKSA-N 351.406 3.604 0 40 FHAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCN(C)c3ccccc3)cc2)C1 44916932 MRZKCADAHLSHCG-IBGZPJMESA-N 365.521 3.785 0 40 FHAB CCCOc1ccc([C@H](C)NC(=O)[C@H]2COc3ccccc3C2)cc1OC 48355540 FPHAEALYYUQRBR-MAUKXSAKSA-N 369.461 3.913 0 40 FHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1ccc(-n2cncn2)cc1 48365866 LHMODXJXCCSQHO-KRWDZBQOSA-N 350.422 3.612 0 40 FHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1cccc(C[S@@](C)=O)c1 53543089 IONLAOKYAOWOJS-GKVSMKOHSA-N 359.491 3.910 0 40 FHAB O=C1N(Cc2ccccc2Cl)c2ccccc2[C@@]1(O)Cc1ccccn1 55104583 KSFMZXJNTABHKW-NRFANRHFSA-N 364.832 3.712 0 40 FHAB CC(=O)Nc1cccc2c1CCN(C(=O)N[C@@H](C)c1ccc(F)c(F)c1)C2 56363759 QISRODUFBYDIQD-LBPRGKRZSA-N 373.403 3.752 0 40 FHAB O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCN(c2ccccc2)CC1 57413232 LHDQVWKNDNSSNF-UHFFFAOYSA-N 366.852 3.693 0 40 FHAB COc1ccc2cc([C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)ccc2c1 57566827 XIPNNWIGTAHNFW-CQSZACIVSA-N 363.413 3.997 0 40 FHAB Cc1cccc(N2CCN([C@H](c3nnnn3C(C)(C)C)C(C)C)CC2)c1C 57669695 OXMUYDMVFVWFMZ-IBGZPJMESA-N 370.545 3.564 0 40 FHAB CCCN(C(=O)NCCC(=O)NC1CCCC1)[C@@H]1CCc2ccccc21 58174632 ICSYREXZWUKFTN-LJQANCHMSA-N 357.498 3.544 0 40 FHAB CC(=O)Nc1ccc(F)c(NCC(=O)Nc2ccccc2C(F)(F)F)c1 58177878 LMCXEBWDGSOSMC-UHFFFAOYSA-N 369.318 3.854 0 40 FHAB C[C@H](SCc1ccccc1)C(=O)Nc1ccn(Cc2ccccn2)n1 58201886 WLVOCRPQQRKXQL-HNNXBMFYSA-N 352.463 3.587 0 40 FHAB Cc1ccccc1[C@@H]1CCCN1C(=O)C[C@@H](NC(N)=O)c1cccs1 58264390 QJJVSOGOIBTZMS-CVEARBPZSA-N 357.479 3.520 0 40 FHAB COc1cccc2cc([C@@H](C)NC(=O)Cn3ccc(C(F)(F)F)n3)oc12 58712405 WYJZYHVYMYIYBT-SNVBAGLBSA-N 367.327 3.534 0 40 FHAB CCCN(CCC)C(=O)Cn1c(Nc2cc(C)cc(C)c2)nc(C)cc1=O 67246352 GMXGKNQQXXOFAQ-UHFFFAOYSA-N 370.497 3.561 0 40 FHAB Cc1nn(C)cc1[C@H]1CC(O)=Nc2c1c(=O)[nH]n2C1CCCCCCC1 71283262 PVGYHENPZDXSOT-CQSZACIVSA-N 357.458 3.627 0 40 FHAB O=C(O)c1ccc([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 71283369 ZEIVBKVCZMTDOM-HNNXBMFYSA-N 369.421 3.894 0 40 FHAB Cc1ccc(NC(=O)N[C@@H](C[S@](C)=O)c2ccccc2)cc1Cl 72306117 HREWPIYBZTVBNL-QMHKHESXSA-N 350.871 3.890 0 40 FHAB CCOc1ccccc1CNC(=O)CCc1nc(-c2cccc(F)c2)no1 72332146 GNLRZPHOXZNWBY-UHFFFAOYSA-N 369.396 3.523 0 40 FHAB Cc1n[nH]cc1C(=O)N1CCC(c2cccc(Cc3ccccc3)n2)CC1 72349754 MHHUXWAARWEQNI-UHFFFAOYSA-N 360.461 3.724 0 40 FHAB COc1cccc(-c2cncc([C@H]3CCCN(Cc4ccccn4)C3)n2)c1 72359430 XGVLPUKZZCZATC-SFHVURJKSA-N 360.461 3.927 0 40 FHAB Cc1nn(C)cc1CN1CCC[C@H]1c1cccc(Nc2nccs2)n1 72375350 VKQZIMAEAUYZJP-INIZCTEOSA-N 354.483 3.661 0 40 FHAB CCc1nccn1-c1cccc([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 72378953 YTVIYNZXSGRRCG-KRWDZBQOSA-N 352.482 3.726 0 40 FHAB O=C(CSC1=NCCS1)NCC1(c2ccc(F)cc2)CCCC1 77205489 DTBGSZZKJYINKI-UHFFFAOYSA-N 352.500 3.590 0 40 FHAB O=C(Nc1nc(-c2ccco2)cs1)[C@H]1CC(=O)N(C2CCCCCC2)C1 78606415 LVKZAQGJCRVXMI-ZDUSSCGKSA-N 373.478 3.913 0 40 FHAB CC(C)(C)OC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1 82053148 ZRMZOLWSSDIXDQ-GOSISDBHSA-N 371.433 3.571 0 40 FHAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N1CCC(n2cccc2)CC1 84687016 MYFYXOXZWFNEIS-RHSMWYFYSA-N 369.440 3.699 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)cc1F 95067978 ZAJFKYSFTGAVCI-UHFFFAOYSA-N 362.195 3.837 0 40 FHAB Cc1noc2nc(C(C)C)cc(C(=O)Nc3n[nH]c4cccc(F)c34)c12 95480437 LLCICRQHTZOUGW-UHFFFAOYSA-N 353.357 3.922 0 40 FHAB Cc1cccc(OC2CCN([C@@H]3CCCN(Cc4ccccc4)C3)CC2)n1 95940895 XYICZOAVYOAXPN-OAQYLSRUSA-N 365.521 3.898 0 40 FHAB Cc1cccc(CN2CCC3(CC2)C[C@@H](OCc2ccncc2)CO3)c1 96106845 LPGJWJOLTQBSJP-OAQYLSRUSA-N 352.478 3.730 0 40 FHAB O=S(=O)(Cc1noc2ccccc12)Nc1ccc(F)c(C(F)(F)F)c1 96124209 WSCLAXNLLRZGAY-UHFFFAOYSA-N 374.315 3.928 0 40 FHAB C[C@]12CO[C@]3(C(=O)Nc4ccccc4Br)C[C@H]1CC[C@@]23C 100983368 ODTQSVJTRLNQCN-HSHDSVGOSA-N 350.256 3.983 0 40 FHAB Cc1c(Cl)cccc1NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 139453506 JNMDIRFDDGHWJD-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB O=C(O)c1cc(Br)ccc1NC(=S)Nc1ccccc1 196524346 OCTMBUQCGBKWQS-UHFFFAOYSA-N 351.225 3.956 0 40 FHAB Cc1nc(-c2ccccc2NS(=O)(=O)c2ccc3c(c2)CCO3)cs1 206909060 MOOZMEUYHFEQRC-UHFFFAOYSA-N 372.471 3.854 0 40 FHAB Cc1cccc(N([C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 220116690 KUTNBYZFCSEQTB-INIZCTEOSA-N 374.506 3.912 0 40 FHAB COc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc(OC)c(C)c1)CC(C)(C)O2 223393394 YVPRZCDHDFXNCW-SFHVURJKSA-N 369.461 3.973 0 40 FHAB CCCOCc1cc(C(=O)Nc2ccc(OC)c(OC)c2)ccc1OC 224415559 OVZKCTKEQNQAMB-UHFFFAOYSA-N 359.422 3.891 0 40 FHAB CCCC(=O)N(Cc1cccc(OC)c1)[C@@H](C)C(=O)NC1CCCCC1 224953850 NSIBEHMWOCSIEB-INIZCTEOSA-N 360.498 3.661 0 40 FHAB CN1CCC(Oc2ccc(CNC(=S)Nc3ccc(F)cc3)cc2)CC1 225772386 YSNVTXCSNPDXSE-UHFFFAOYSA-N 373.497 3.785 0 40 FHAB Cc1cc(NC(=O)COc2ccccc2Cl)cc2sc(NN)nc12 226313288 GWFKLENHGJYLLF-UHFFFAOYSA-N 362.842 3.561 0 40 FHAB C[C@H](O)[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@]4(C)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 253617548 UUNZVNLAFCAUHR-VZMKRWPVSA-N 350.543 3.892 0 40 FHAB COC(C)(C)C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257229359 FXTUZAKCWYFPEX-QGZVFWFLSA-N 360.429 3.883 0 40 FHAB CCn1cc(C(=O)N2CCC[C@@H](c3nc(C)cn3C)C2)c2ccccc21 257327134 XACACVPIAQSFFI-MRXNPFEDSA-N 350.466 3.723 0 40 FHAB CC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 301218713 SALOIFKXFFBZQI-QGZVFWFLSA-N 351.446 3.938 0 40 FHAB c1ccc(-c2ccc3nnc(C4CCN(Cc5cccnc5)CC4)n3n2)cc1 306127196 FRIITNMVUWXDDP-UHFFFAOYSA-N 370.460 3.566 0 40 FHAB Cc1cc(OC2CCN(C(=O)c3cc4ccccc4s3)CC2)nc(C)n1 390826801 PROBRXCPOJRDOK-UHFFFAOYSA-N 367.474 3.992 0 40 FHAB Cn1c(Cc2cccc3ccccc23)nnc1SCC(=O)NC(C)(C)C 408561162 YFIBYNWUNNYIPM-UHFFFAOYSA-N 368.506 3.566 0 40 FHAB COc1ccc(/C=c2/sc3nc4cc(C)c(C)cc4n3c2=O)cc1Cl 408779680 HNLIJQWBWKRVAI-RQZCQDPDSA-N 370.861 3.736 0 40 FHAB COc1ccc(-c2nc(NC(=O)c3ccccn3)sc2C)c(OC)c1 408836457 RKNISFGGJFUONP-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB CC(C)c1noc([C@H](NC(=O)C[C@@H]2CCC[C@@H](C)C2)C2CCOCC2)n1 548660193 TXCZXHAXERPZDH-IIDMSEBBSA-N 363.502 3.993 0 40 FHAB O=C(NC[C@H](c1cccs1)n1cccn1)c1ccc2ncsc2c1 575612546 AZZKDEDHCPCBLR-CQSZACIVSA-N 354.460 3.574 0 40 FHAB Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)NCC3CC(C)C3)C2)cc1 621571928 UBQUQETVVAHSCZ-ADKAHSJRSA-N 372.513 3.584 0 40 FHAB CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)Cc1cc2n(n1)CCCC2 649564211 DCTLQDUSDVZCMG-UHFFFAOYSA-N 358.461 3.598 0 40 FHAB CC1(C)[C@@H](CNC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1(F)F 660513297 FSAJDAYUUAUUSZ-DZGCQCFKSA-N 371.497 3.551 0 40 FHAB CNc1cc([C@H]2CCCN(C(=O)c3cc4ccc(F)cc4[nH]3)C2)ccn1 1848352322 BICUHUDCERXGOR-HNNXBMFYSA-N 352.413 3.764 0 40 FHAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)c3ccc(C)c(F)c3)C2)cc1C 2037913022 LSUKRASJKRJLSI-QFIPXVFZSA-N 371.452 3.797 0 40 FHAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccc(F)cc1C(F)(F)F 46817706 VPHMCORVPSAKSR-MGPLVRAMSA-N 369.314 3.689 0 40 FHAB O=C(Cc1csc(COc2ccccc2)n1)NCc1ccc(F)cc1 33326152 ZSLZXNOMWZNUCL-UHFFFAOYSA-N 356.422 3.720 0 40 FHAB COc1ccc(OCC(=O)Nc2ccc(C(=O)OCCC(C)C)cc2)cc1 942135 XYVIGQBZGHYQBZ-UHFFFAOYSA-N 371.433 3.916 0 40 FHAB CC(C)[C@@H](NC(=O)[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O 1652120 NGWNHPCBHQIISN-JVXZTZIISA-N 368.644 3.640 0 40 FHAB CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)C1 79613739 VFDHKCZTNAOUGV-GOSISDBHSA-N 368.477 3.985 0 40 FHAB Cc1c(Cl)ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1Cl 643252 NXTDBNZDUPDJCJ-UHFFFAOYSA-N 374.245 3.509 0 40 FHAB Cn1c(SCC(=O)C(C)(C)C)nc2sc3c(c2c1=O)CCCC3 3531929 KKMCUJHOGJLKKR-UHFFFAOYSA-N 350.509 3.581 0 40 FHAB CCOc1ccc2nc(NS(=O)(=O)c3ccc(OC)cc3)sc2c1 811145 VNPMEZPXRJMVHD-UHFFFAOYSA-N 364.448 3.504 0 40 FHAB CCSc1nnc(S[C@H](C)c2nc(-c3ccncc3)no2)s1 23076044 NFSNUPHUYBOIMQ-MRVPVSSYSA-N 351.482 3.948 0 40 FHAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=S)NC(C)=O 6546025 QDVXVJZAESUUKC-UHFFFAOYSA-N 369.446 3.953 0 40 FHAB O=C(COc1ccccc1)NC(=S)Nc1ccccc1N1CCCCC1 6616120 IRSQZRQSJFAIEL-UHFFFAOYSA-N 369.490 3.569 0 40 FHAB COc1ccccc1NC(=O)c1ccccc1NC(=O)c1cccc(N)c1 7468359 VJQPFNJAMQJNJX-UHFFFAOYSA-N 361.401 3.782 0 40 FHAB COc1cc(CCC(=O)Nc2ccc(Br)cc2Cl)on1 95473950 DUPLNIWSSUCUQA-UHFFFAOYSA-N 359.607 3.670 0 40 FHAB Cc1ccc(NC(=O)CN(C)C(=O)CCSc2ccc(C)cc2)cc1 8376278 YVXBUXBMLTXAAF-UHFFFAOYSA-N 356.491 3.883 0 40 FHAB CCC(CC)C(=O)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1 8605536 FHYGSXAXCLIDDK-UHFFFAOYSA-N 363.483 3.678 0 40 FHAB C[C@@H](NC(=O)c1cnc(OCC(F)(F)F)c(Cl)c1)c1cccnc1 47751506 LSPLOCVHXMLYDA-SECBINFHSA-N 359.735 3.562 0 40 FHAB Cc1cc(NS(=O)(=O)/C=C/c2ccccc2)ccc1N1CCCC1=O 12541674 ZLHOGYDHPLMXMT-ACCUITESSA-N 356.447 3.534 0 40 FHAB Cn1ccc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1 12515971 VJMJOHZBKFXCHT-UHFFFAOYSA-N 362.311 3.879 0 40 FHAB c1ccc(-n2nnnc2CSc2nnc(NC3CCCCC3)s2)cc1 9054105 CFGBGKCTWYTJLQ-UHFFFAOYSA-N 373.511 3.551 0 40 FHAB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)C1=NO[C@@H](c2ccccc2)C1 55288531 TWSCHMXAQAEKIC-QFBILLFUSA-N 366.465 3.649 0 40 FHAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc(-n2cccn2)nc1 12545587 AVDJWWFWYNCOGF-UHFFFAOYSA-N 367.459 3.634 0 40 FHAB CCC[C@H](c1nnnn1C(C)C)N1CCN(c2cc(C)ccc2C)CC1 57670144 KWHVPIGWXKQGNA-GOSISDBHSA-N 356.518 3.534 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)c1cn(-c2ccccc2Cl)nn1 57511537 ODYPQPLKMOEGRL-AWEZNQCLSA-N 354.841 3.672 0 40 FHAB CCOc1ccccc1-c1cc(C(=O)N2CCC[C@H]2c2cc(C)on2)n[nH]1 48064614 FKZWXAGCEVMURP-SFHVURJKSA-N 366.421 3.749 0 40 FHAB O=C(COC(=O)c1ccc(Cl)cc1)NCc1ccc(C(F)(F)F)cc1 51356317 GOUSYVYCIKPOTH-UHFFFAOYSA-N 371.742 3.832 0 40 FHAB COc1ccc([C@@H](CNC(=O)c2ccccc2OC)N2CCCCC2)cc1 27667629 OEYKOIXZUSLPCC-HXUWFJFHSA-N 368.477 3.661 0 40 FHAB biogenic CCOc1ccc(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 12784870 ABHXXPKENJCYBB-UHFFFAOYSA-N 356.813 3.501 0 40 FHAB O[C@H](CN1CCN(c2ccccc2)CC1)c1ccccc1C(F)(F)F 58391930 SZSIYCHMFQTILX-GOSISDBHSA-N 350.384 3.561 0 40 FHAB CC(=O)c1c(S[C@@H](C)C(=O)c2ccc(C(C)(C)C)cc2)nc(=O)[nH]c1C 10915493 IJDCTOUTQIYHTK-ZDUSSCGKSA-N 372.490 3.942 0 40 FHAB COc1cc(NC(=O)COc2ccc(C)cc2OC)c(OC)cc1Cl 10856448 VIVIFLJXWHOWRB-UHFFFAOYSA-N 365.813 3.692 0 40 FHAB O=S(=O)(CC1CCCCC1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 119732531 IXERABCWFBFSMJ-QGZVFWFLSA-N 374.510 3.519 0 40 FHAB O=C(C[C@H]1OCCc2ccccc21)Nc1cccc(Cl)c1-n1cncn1 115023798 WESMCJJKLLICSN-QGZVFWFLSA-N 368.824 3.563 0 40 FHAB C[C@@H](OC(=O)c1cc2c(s1)CCCC2)C(=O)Nc1ccc2c(c1)OCO2 3498809 BOGOCGFNQCHNGW-LLVKDONJSA-N 373.430 3.540 0 40 FHAB COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(C)cc2)cc1 3553961 IEYCYVHJIINCRU-UHFFFAOYSA-N 368.462 3.624 0 40 FHAB Cc1ccc(-c2nnc(S)n2CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 12980500 PLZMTUZNFSHPDU-ZDUSSCGKSA-N 370.453 3.559 0 40 FHAB Cc1cc(Cl)ccc1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 12915717 KJNSHKAIFNOCKC-UHFFFAOYSA-N 356.809 3.550 0 40 FHAB COc1cc(CNCc2ccc(NC(=O)NC(C)C)cc2)cc(OC)c1 48784846 XMLPFMCWYFCPBL-UHFFFAOYSA-N 357.454 3.524 0 40 FHAB CCCNC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CCCC2 5027484 APOVNYAKNVXHGJ-UHFFFAOYSA-N 372.490 3.784 0 40 FHAB Cc1cc2oc(=O)cc(CSc3nnnn3C3CC3)c2cc1C(C)C 14244838 FSHDNKIVBWCAQO-UHFFFAOYSA-N 356.451 3.839 0 40 FHAB Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)[C@]2(C)C[C@H]3C=C[C@H]2C3)c1 112249983 HQAQVMMEURRGKW-WDUKFBBWSA-N 364.449 3.820 0 40 FHAB Cc1c(C)c2ccc3c(c2oc1=O)CN(C1CC(C)(C)NC(C)(C)C1)CO3 6669775 SGIZFZAHRQUHQO-UHFFFAOYSA-N 370.493 3.871 0 40 FHAB COc1ccc(NC(=O)CCSc2nnc(-c3ccoc3C)o2)cc1 14608554 ZGTVJBVNMBDMMQ-UHFFFAOYSA-N 359.407 3.768 0 40 FHAB COCCOc1ccccc1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 9259381 YQLPHWFFKASPAL-UHFFFAOYSA-N 370.449 3.949 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(Br)cc2)c1C 7167666 KBCDRNWMSMTNRY-UHFFFAOYSA-N 350.212 3.858 0 40 FHAB COC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)c1 15608104 UMOFUAFAHZRFGP-UHFFFAOYSA-N 372.808 3.506 0 40 FHAB Cc1ccc(CN2C[C@H](C(=O)Nc3ccc(C)c(Cl)c3)CC2=O)cc1 7653750 SNAACEPUQXHOJD-MRXNPFEDSA-N 356.853 3.944 0 40 FHAB C[C@@H](Sc1n[nH]c2nc3ccccc3n12)C(=O)N[C@H](C)c1ccccc1 9318414 HGQURIAVLPZZKX-CHWSQXEVSA-N 365.462 3.569 0 40 FHAB Cc1cc(C(=O)OCC(=O)N[C@H](C)CCc2ccccc2)c(C)n1C1CC1 16695765 IIINJLAUTCYNTA-OAHLLOKOSA-N 368.477 3.734 0 40 FHAB COc1ccc([C@H](NC(=O)CN2CCC[C@H]3CCCC[C@@H]32)C2CC2)cc1 72242344 UPERYMFWBACBCB-QGCDCVKKSA-N 356.510 3.917 0 40 FHAB CC[C@@H]1CN(Cc2csc(COc3ccc(Cl)cc3)n2)CC[C@@H]1N 97165808 VGCWVKRFARFXNT-DYVFJYSZSA-N 365.930 3.935 0 40 FHAB CCn1cnnc1CCNc1ncnc2scc(-c3ccc(F)cc3)c12 95960352 QXPQANCZXWOFFQ-UHFFFAOYSA-N 368.441 3.763 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCCCC12OCCO2 89448801 DMXRMXIREDDACR-ABAIWWIYSA-N 374.264 3.563 0 40 FHAB COc1ccccc1OCCNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 31243889 PESILBCXRDUDOO-MRXNPFEDSA-N 371.477 3.955 0 40 FHAB Cc1cc(-c2nn3c(CSCCc4ccccc4)nnc3s2)no1 1501039897 KFCVKVKVZHOLOX-UHFFFAOYSA-N 357.464 3.625 0 40 FHAB COc1ccc(CN(C)C(=O)COc2cc(C)cc(C)c2C)cc1OC 30850926 RLBBNOXSSIWJPJ-UHFFFAOYSA-N 357.450 3.666 0 40 FHAB O=C(NC1CCCCC1)c1ccccc1NS(=O)(=O)c1ccccc1 38444459 ZNNKYCJVXGSTSQ-UHFFFAOYSA-N 358.463 3.550 0 40 FHAB CCCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)c1ccc(CC)cc1 32922819 PZGZPULYLWPXFK-OAHLLOKOSA-N 359.491 3.924 0 40 FHAB CCOc1ccc(/C=C2/NC(=S)N(c3ccccc3C)C2=O)cc1OC 36081915 QCAXNFPLUZZOBL-RVDMUPIBSA-N 368.458 3.665 0 40 FHAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccccc2)c(-n2cnnc2)c1 32646826 FTYPWBGAHPEDPQ-OAHLLOKOSA-N 350.422 3.798 0 40 FHAB Cc1ccc(CSCCNC(=O)c2cccc(N3CCCC3=O)c2)cc1 219208196 GPZNBTZCYJPFJO-UHFFFAOYSA-N 368.502 3.785 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)c1C 31700413 MLTUOGFPUJOHDZ-MRXNPFEDSA-N 352.434 3.836 0 40 FHAB O=C(C1CCCCC1)N1CCCC[C@H]1c1ccnc(Nc2cncnc2)n1 72377678 SOXROFBRMTTXRG-SFHVURJKSA-N 366.469 3.644 0 40 FHAB O=C1CC(c2cccc(N[C@H]3CCC[C@H](c4cccnc4)C3)c2)CC(=O)N1 562673629 SWFJALXLNCQJAK-KXBFYZLASA-N 363.461 3.740 0 40 FHAB COc1cccc(-c2cnc(CCC(=O)NCc3ccc(F)cc3)o2)c1 224851574 VQQKDWZMFCVUCV-UHFFFAOYSA-N 354.381 3.738 0 40 FHAB COc1ccc(-c2noc(CNC(=S)Nc3ccc(C)c(C)c3)n2)cc1 225823392 LAKUPCFOBCDQFW-UHFFFAOYSA-N 368.462 3.849 0 40 FHAB COC1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCC(C)CC1 225640257 SSMDHAQWCXOQNM-UHFFFAOYSA-N 360.498 3.695 0 40 FHAB COc1ccc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2c1 41095845 OXWCSLSVPCZLLV-UHFFFAOYSA-N 353.443 3.990 0 40 FHAB O=C(COc1cccc(Cl)c1)NCCCN1CCCc2ccccc21 222773396 YUUMBVQLCQHXHP-UHFFFAOYSA-N 358.869 3.678 0 40 FHAB O=C(NCC1=CCCCC1)/C(=C/c1ccco1)NC(=O)c1ccccc1 225102148 KGWHXMPOXFZEPW-RGEXLXHISA-N 350.418 3.667 0 40 FHAB CC(C)n1cnc(-c2cc(C(=O)NCCc3ccccn3)c3ccccn23)c1 96154898 RKRYEGHOIJWMFX-UHFFFAOYSA-N 373.460 3.751 0 40 FHAB COc1ccc(-c2nc3ccccn3c2I)cc1 96536896 LMNQHZFFGAMZJI-UHFFFAOYSA-N 350.159 3.615 0 40 FHAB c1ccc(COC[C@@]23CCCO[C@H]2CCN(Cc2ccsc2)C3)nc1 96040228 YPRXXSKNFOKYLV-PMACEKPBSA-N 358.507 3.731 0 40 FHAB CC(C)Cc1ccccc1CNC(=O)Nc1cc([C@@H]2CCCOC2)nn1C 529087658 CWOBKEJNXCWWFS-GOSISDBHSA-N 370.497 3.834 0 40 FHAB C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCO[C@H](c2ccc(F)cc2)C1 245237660 PNKNKOHTAWTGAW-ZGMAETJZSA-N 362.489 3.528 0 40 FHAB COc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 244534983 ZVHMJBXIJHPLPL-ZDUSSCGKSA-N 358.825 3.649 0 40 FHAB CO[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H](C)C1)C1CC1 1769667393 ZDVGNUPDYIPUPN-ZRGWGRIASA-N 372.488 3.525 0 40 FHAB CC/C(C)=C/C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1[C@H]2CCCC[C@H]12 1775990517 GSIQIMIBKVIXCW-RLVACIKASA-N 358.526 3.665 0 40 FHAB Cc1ccc(-c2csc(Cn3nnc(-c4ccc(F)cc4)n3)n2)cc1 1640803117 ONCBTNYTMADAQI-UHFFFAOYSA-N 351.410 3.959 0 40 FHAB O=C(c1cc2ccccc2s1)N1CC[C@H](Oc2ncc(Cl)cn2)C1 575605370 KHFRBHPDMKPNPD-ZDUSSCGKSA-N 359.838 3.638 0 40 FHAB CC(C)(C)N1CC[C@H](CNC(=O)Nc2ccc(OC(F)F)cc2F)C1 585101480 XJFQRTZZJRPMFJ-LLVKDONJSA-N 359.392 3.669 0 40 FHAB COCCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)c(C)c1 55606425 KLLRHGRCJFDNKP-UHFFFAOYSA-N 365.433 3.767 0 40 FHAB Cc1ccc(C(=O)N2CCC(COc3cc4c(nn3)CCCC4)CC2)s1 1565523104 YOTNMAJSGHLZRI-UHFFFAOYSA-N 371.506 3.657 0 40 FHAB CCc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc3ncsc3c2)o1 547792116 PDZGVZWYVLOIJC-HNNXBMFYSA-N 362.476 3.978 0 40 FHAB Cc1cccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c1 1053526 SDHDLQIGTVZSAE-MHWRWJLKSA-N 371.234 3.850 0 40 FHAB Cc1cccc(CN2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)c1 1615158994 SWMUOVKFHFUITB-JOCHJYFZSA-N 368.452 3.532 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1n[nH]c(=S)n1C 5444182 FQQUZIXXKSCCDT-LLVKDONJSA-N 359.282 3.912 0 40 FHAB CCN1CCN(c2ncc(-c3ccsc3)c(-c3nc(C)cs3)n2)CC1 12275128 RAICZIUGEUOPAN-UHFFFAOYSA-N 371.535 3.779 0 40 FHAB COc1cc(/C=C2\NC(=S)N(c3ccc(C(C)C)cc3)C2=O)ccc1O 12686800 NVRNBCHIKXMKHS-YBEGLDIGSA-N 368.458 3.786 0 40 FHAB COc1ccc(-c2noc(-c3cc4cc(C)ccc4oc3=O)n2)cc1F 12878164 YJMDEWBEXRHBLE-UHFFFAOYSA-N 352.321 3.966 0 40 FHAB CC(C)CNC(=S)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 13634341 KHCVKPRCUSHSPJ-UHFFFAOYSA-N 362.474 3.586 0 40 FHAB CCOc1ccc(OCC(=O)NCc2ccc(C(F)(F)F)cc2)cc1 16301408 MQHOPYDOKUJEBF-UHFFFAOYSA-N 353.340 3.799 0 40 FHAB CN(C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)C1CCCCC1 17357058 NWFULGFJFDFPHJ-UHFFFAOYSA-N 372.490 3.892 0 40 FHAB COc1cccc([C@H]2CN(C(C)=O)[C@@H]3CCN(C4CCCCC4)C[C@H]23)c1 19019402 GGJBIJQDHLMQDO-YPAWHYETSA-N 356.510 3.664 0 40 FHAB CCC[C@H](NC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1)c1cccs1 19501841 RKPXJSFLIBHHRD-ZDUSSCGKSA-N 357.483 3.760 0 40 FHAB CCc1onc(C)c1C(=O)N1CCc2onc(Nc3ccccc3F)c2C1 19521139 RQGJPVLHLZEXIM-UHFFFAOYSA-N 370.384 3.615 0 40 FHAB CC(C)Oc1ccc(CNC(=O)c2ccc(CN3CCCC3)cc2)cc1 19933002 FMNVOBILUDEOIQ-UHFFFAOYSA-N 352.478 4.000 0 40 FHAB COc1cccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)c1 1511185 RSLBCEUZJFUAMI-DHDCSXOGSA-N 358.191 3.802 0 40 FHAB CC1(C)CN(C(=O)Cc2cncs2)c2ccc(Br)cc2O1 622986882 MMUDGGOVKQXENI-UHFFFAOYSA-N 367.268 3.652 0 40 FHAB C[C@@H](OC(=O)c1ccccn1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 5692608 BNUDGXUDBDUIBE-SECBINFHSA-N 372.730 3.938 0 40 FHAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)CCC1CCCCC1 6558173 FIVNXBLJGULLOF-UHFFFAOYSA-N 372.465 3.654 0 40 FHAB Cc1cc(OC[C@H]2CCCN(c3nccn4nc(C5CC5)cc34)C2)ccn1 1888890112 SMZHIPVYLKIXDX-INIZCTEOSA-N 363.465 3.606 0 40 FHAB Cc1c(-c2nc(-c3ccc(Cl)cc3)no2)sc2ncn(C)c(=O)c12 1889024317 WKEOYSUCTARPDN-UHFFFAOYSA-N 358.810 3.674 0 40 FHAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3nccs3)C(=O)[C@H]12 840254 OIVNAPMEONAQFY-IOANDJKRSA-N 372.449 3.714 0 40 FHAB Cc1ccc(N2C(=O)c3cccc4c(N5CCOCC5)ccc(c34)C2=O)cc1 832177 ULHFIYZTXISSIM-UHFFFAOYSA-N 372.424 3.785 0 40 FHAB CCOc1ccccc1C(=O)N1CCN=C1SCc1ccc(F)cc1 4119930 KXFQEZKXYYHOIS-UHFFFAOYSA-N 358.438 3.970 0 40 FHAB COc1cc2nc(NC(=O)c3ccc(C(C)=O)cc3)sc2cc1OC 4479901 FOEKCRYONKAMRX-UHFFFAOYSA-N 356.403 3.768 0 40 FHAB COc1ccc(NC(=O)Cc2cc(-c3ccc(F)cc3)on2)cc1OC 11693149 VNRVHJNMKUSGKD-UHFFFAOYSA-N 356.353 3.679 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3cccc(OC)c3OC)on2)cc1 12371025 YPHZWFASTOKVMH-UHFFFAOYSA-N 354.362 3.620 0 40 FHAB Cn1/c(=N/C(=O)c2cc3ccccc3oc2=O)sc2cc(Cl)ccc21 13082738 UVHKVYCVSKWZBJ-ZZEZOPTASA-N 370.817 3.741 0 40 FHAB CC(C)(C)S(=O)(=O)[C@H]1CCN(C(=O)CCc2cccc3ccccc23)C1 585146877 HZBNNQSWCBYQJL-SFHVURJKSA-N 373.518 3.587 0 40 FHAB CC(C)(C)c1ccc(NC(=O)N2CCN(Cc3ccncc3)CC2)cc1 40096414 DKHJQRVKOPJCKH-UHFFFAOYSA-N 352.482 3.729 0 40 FHAB COCCCC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 40132424 BWEASLKDUFSRKR-MRXNPFEDSA-N 354.450 3.885 0 40 FHAB CCOCCCNC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O 30819212 CESAKTUVKWUNTN-UHFFFAOYSA-N 371.433 3.631 0 40 FHAB CN(C(=O)CCn1c(=O)oc2cc(Cl)ccc21)[C@H]1CCc2ccccc21 30979392 CUGPGULCWPXDOV-INIZCTEOSA-N 370.836 3.784 0 40 FHAB O=C(NC[C@H]1C[C@H]2C=C[C@H]1C2)c1nc(-c2ccc(C(F)(F)F)cc2)no1 101514176 GZIOJCIAUDZBNW-WCFLWFBJSA-N 363.339 3.697 0 40 FHAB Fc1ccc(C(c2ccc(F)cc2)N2CCN(c3ncccn3)CC2)cc1 21674693 ZQKYGSNLQGBHGN-UHFFFAOYSA-N 366.415 3.666 0 40 FHAB O=C(CCn1ccc2ccc(F)cc21)NC[C@@H]1CCCN2CCCC[C@H]12 12296948 LOCALLAVIUZBAU-PKOBYXMFSA-N 357.473 3.551 0 40 FHAB biogenic CCOc1ccc(NC(=O)CSc2nnc(-c3cccc(O)c3)o2)cc1 976131 BPIDOXLXSXJLQW-UHFFFAOYSA-N 371.418 3.572 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(O)cc3)o2)cc1 1224354 WKPNXWPNSITKFL-GFCCVEGCSA-N 355.419 3.870 0 40 FHAB COc1ccccc1C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1 1972513 DUJIEAHFEFLARU-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB CCNc1ccc(C(=O)OCC)cc1NC(=O)c1ccc(COC)cc1 79096617 VOYTUNRABVVYFF-UHFFFAOYSA-N 356.422 3.694 0 40 FHAB CC1=C(C(=O)O[C@@H](C)C(C)(C)C)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 706496 NXMVPKJCXSMFSL-XHDPSFHLSA-N 350.846 3.946 0 40 FHAB CN1C(=O)[C@](O)(CC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21 784051 FRADVJQFKMPTFB-QHCPKHFHSA-N 357.409 3.791 0 40 FHAB COCc1cc(C)nc2sc(C(=O)Nc3ccc(C(C)=O)cc3)c(N)c12 814634 ZOHGHVXFLOGSSY-UHFFFAOYSA-N 369.446 3.788 0 40 FHAB CCc1nnc2sc(-c3ccc(NC(=O)c4cccc(C)c4)cc3)nn12 6169066 PUDZDKAPWMXQMZ-UHFFFAOYSA-N 363.446 3.976 0 40 FHAB CCCN1C(=O)/C(=C\c2c(O)ccc3ccccc23)C(C(=O)OC)=C1C 6654651 QONSQGYHTIOGRH-ATVHPVEESA-N 351.402 3.628 0 40 FHAB Cc1ccccc1-c1nnc2sc(NC(=O)CCc3ccccc3)nn12 6818162 UABHLSISNQSJBQ-UHFFFAOYSA-N 363.446 3.733 0 40 FHAB Cc1ccc([C@H](NS(=O)(=O)c2c(C)noc2C)c2ccccc2)cc1 7307188 NHTLNTZURVFXJD-GOSISDBHSA-N 356.447 3.668 0 40 FHAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(F)c(F)c1 23294700 KKVXXSDFRYUZET-UHFFFAOYSA-N 368.265 3.817 0 40 FHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCCC(=O)O)cc1 907719 SFOISNSYBJHMMG-IBGZPJMESA-N 366.417 3.628 0 40 FHAB CCOC(=O)[C@@H](C)NC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccc(C)cc1)(C3)C2 100318493 IDQUFWLNFJGRJV-WYHNVWNDSA-N 369.505 3.901 0 40 FHAB S=C(NCc1ccccc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10184215 BCCNACHNKWMUJR-MRXNPFEDSA-N 350.491 3.817 0 40 FHAB COc1ccc(C(=O)NCC2(c3ccccc3)CCC2)c(OC)c1OC 10221332 YWGLYHNOZSNJRA-UHFFFAOYSA-N 355.434 3.564 0 40 FHAB Cc1noc(NC(=O)CSc2ccc(Cl)c(C(F)(F)F)c2)n1 54659781 YRKOERGQLZCIPR-UHFFFAOYSA-N 351.737 3.781 0 40 FHAB CCc1ccccc1NC(=O)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 8434206 XIBKCVJPYNLAAR-RTBURBONSA-N 374.440 3.957 0 40 FHAB CN(C)c1ccc(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)cc1 12551814 MZKQFHRORFAQSX-UHFFFAOYSA-N 371.444 3.798 0 40 FHAB FC(F)(F)c1ccc(Oc2ccc(Oc3ccc4nnnn4n3)cc2)nc1 24830753 IOKIVBGVBHXERZ-UHFFFAOYSA-N 374.282 3.518 0 40 FHAB CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)c1ccccc1C 24921240 QMGHTFKJZPQILT-CQSZACIVSA-N 358.388 3.679 0 40 FHAB C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N(C)Cc1ccc(Cl)cc1 9157376 MCWGVNNIVQZYKM-KRWDZBQOSA-N 371.912 3.509 0 40 FHAB COc1cc(CNC(=O)c2cc(F)c(F)cc2Cl)cc(OC)c1OC 9887912 WFCAULFMSKOBHH-UHFFFAOYSA-N 371.767 3.574 0 40 FHAB O=C(NC1CC1)c1ccc(CN(C(=O)c2ccc(F)cc2)C2CC2)cc1 26105913 IFNNRCPVMKJRDK-UHFFFAOYSA-N 352.409 3.523 0 40 FHAB C[C@H]1CCCCN1S(=O)(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 108339701 OJONXKXLABPKAV-ZWKOTPCHSA-N 372.534 3.916 0 40 FHAB CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)NC1CC(C)(C)NC(C)(C)C1 27975812 PIKWYNLOONJVDO-IBGZPJMESA-N 358.526 3.758 0 40 FHAB CCN(C[C@@H]1CCOC1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 58171697 BQQIKFZKXXJOGX-HNNXBMFYSA-N 370.424 3.577 0 40 FHAB CCN1CCN(c2ccc(N[C@@H](C)c3nc(C(C)C)no3)c(C)c2)CC1 58178153 NIVRIXGJLYLONO-INIZCTEOSA-N 357.502 3.816 0 40 FHAB CCOc1ccccc1C(=O)Nc1nonc1-c1ccc(OC)c(C)c1 27664659 FSTKVLTULQGYMD-UHFFFAOYSA-N 353.378 3.705 0 40 FHAB CCSc1ccc(C(=O)Nc2ccnn2Cc2ccccc2F)cn1 105972049 FTZFSBBKBJQQGH-UHFFFAOYSA-N 356.426 3.830 0 40 FHAB COc1ccc(N(C)C(=O)c2sc3nc(C4CC4)nc(C)c3c2C)cn1 58427645 MDPRXNGTYFXALT-UHFFFAOYSA-N 368.462 3.866 0 40 FHAB COc1ccc(OCC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)cc1 18195170 JTUKUHXIFKJQML-UHFFFAOYSA-N 351.406 3.515 0 40 FHAB O=C(CCC(=O)OCC(=O)c1ccc(F)cc1)Nc1ccc(Cl)cc1 2249412 RUWWYQWWECJCTL-UHFFFAOYSA-N 363.772 3.624 0 40 FHAB COc1ccc(C)cc1[C@@H](C)NS(=O)(=O)c1cccc2cc(C)cnc12 29344552 MXRJTIFWYCNQOX-OAHLLOKOSA-N 370.474 3.900 0 40 FHAB CN1CCN(C(=O)c2cc(-c3ccccc3)nc3c(Cl)cccc23)CC1 27977094 JDBRMZQGBLEYTJ-UHFFFAOYSA-N 365.864 3.943 0 40 FHAB Cc1cccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c1 3371662 AOFFCGQFCXPUHJ-UHFFFAOYSA-N 372.730 3.858 0 40 FHAB Cc1ccccc1C(=O)NC1CCN(Cc2ncc(C(C)(C)C)o2)CC1 48364638 UQXSAJZOGGCHSP-UHFFFAOYSA-N 355.482 3.675 0 40 FHAB CCc1ccc(OCCSc2nc3ccccc3n2CC(=O)OC)cc1 11667475 CQQUWBCELKPOBJ-UHFFFAOYSA-N 370.474 3.943 0 40 FHAB Cc1ccc2nc(CNc3ccc(Br)cc3F)cc(=O)n2c1 11724985 XPHRFGBNHFCFRU-UHFFFAOYSA-N 362.202 3.517 0 40 FHAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)ccc1Cl 12864664 IJDZGKUCHMDRJH-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB O=C(c1ccc2ncsc2c1)N1CCN(c2cccc(Cl)c2)CC1 2645766 LWDMMKQEJLVIQA-UHFFFAOYSA-N 357.866 3.912 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)C3=Cc4cc(Cl)ccc4OC3)ccc21 12999168 PTNAECGCXDCEGA-UHFFFAOYSA-N 368.820 3.664 0 40 FHAB COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1 13074138 WTMRRZNNHHCEKJ-UHFFFAOYSA-N 374.384 3.581 0 40 FHAB Nc1nc(COC(=O)c2ccc(-c3ccccc3F)o2)nc2ccccc12 18337794 YMPSKIIYKLCYCC-UHFFFAOYSA-N 363.348 3.968 0 40 FHAB COc1ccc(-c2nc(NC(=O)c3ccncc3)sc2C)c(OC)c1 408820989 BDOPTHNEMFZZLH-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB CCOC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccco2)n1 5242344 VJMJNFSEYLIRJY-UHFFFAOYSA-N 357.313 3.784 0 40 FHAB CCN(Cc1ccccc1)C(=O)c1ccc(CNC(=O)NC(C)C)cc1 14021886 DCXIXTFGRGFYMZ-UHFFFAOYSA-N 353.466 3.557 0 40 FHAB COc1cc(CCC(=O)N[C@@H]2CCSc3ccccc32)cc(OC)c1 14110016 XOEAWAAXSCHASZ-GOSISDBHSA-N 357.475 3.990 0 40 FHAB CCc1ccc([C@H](NC(=O)c2nn(C)c(=O)c3ccccc23)C(C)C)cc1 5407539 QGZWMHQFEMGAQV-LJQANCHMSA-N 363.461 3.623 0 40 FHAB C[C@H](C(=O)NCc1ccco1)n1c(-c2cscn2)nc2ccccc21 6551199 XYRBDHBCMJFZKA-GFCCVEGCSA-N 352.419 3.630 0 40 FHAB NC(=O)Nc1ccc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1 14520002 DATTWCIEDMDSTD-HXUWFJFHSA-N 359.429 3.891 0 40 FHAB Nc1cc(Cl)ccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 6645479 BZUKOVBNKLJLSP-UHFFFAOYSA-N 350.249 3.538 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[C@H](C)c2ccccc2)cc1 4740425 PCSQZEKHOLBARC-INIZCTEOSA-N 374.506 3.849 0 40 FHAB O=C1CCCN1CCCNc1ncnc2scc(-c3ccc(F)cc3)c12 7158131 IRRANEIXTRCARK-UHFFFAOYSA-N 370.453 3.922 0 40 FHAB COc1ccc(CSc2nnc3ccccn23)cc1Br 7297292 DIKDECJURVQXPV-UHFFFAOYSA-N 350.241 3.793 0 40 FHAB CS[C@H](CNC(=O)CCc1nc(-c2cccs2)no1)C(C)(C)C 96009734 DBTWQEKLCMPEFR-GFCCVEGCSA-N 353.513 3.625 0 40 FHAB Cc1nc2ccccc2c(C)c1C(=O)OCC(=O)c1ccc2c(c1)OCO2 19620530 JRBNTUQTROPSJK-UHFFFAOYSA-N 363.369 3.620 0 40 FHAB CC[C@@H](CNC(=O)CCN1C(=O)[C@H](C)Oc2ccccc21)c1ccccc1 16261507 HPURFZJPPVDZPZ-IRXDYDNUSA-N 366.461 3.501 0 40 FHAB CC(=O)c1ccc(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)cc1 7927284 ZIAYRXWCKKYXLQ-GOSISDBHSA-N 372.490 3.570 0 40 FHAB Cc1cccnc1NC(=O)COc1ccc(Cl)cc1Br 9321959 WHWAJWUZOIXJBE-UHFFFAOYSA-N 355.619 3.823 0 40 FHAB Cc1n[nH]c(C)c1CC(=O)N(CCc1ccccc1)Cc1cccs1 8405496 LBZJDIGKDSXBCR-UHFFFAOYSA-N 353.491 3.902 0 40 FHAB C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)CC2(C(=O)O)CCCC2)cc1 71817318 BCWUBSLDZMPRGC-HNNXBMFYSA-N 372.465 3.675 0 40 FHAB CCc1nc(CN(C)C(=O)N[C@@H]2CCCOc3ccc(F)cc32)cs1 83830290 PXBMSCRJUQELSC-OAHLLOKOSA-N 363.458 3.900 0 40 FHAB C[C@H](OC(=O)Cc1ccc(-n2cccc2)cc1)c1nc2ccccc2c(=O)[nH]1 84647196 WPPBTDLSBJVMBB-HNNXBMFYSA-N 373.412 3.561 0 40 FHAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 72306827 OYMUJJNDYYXYCM-GFCCVEGCSA-N 367.852 3.782 0 40 FHAB c1cc(CN2CCC[C@H]2c2cccc3c2OCCO3)cc(-n2cccn2)c1 95455416 PCXXQYORDNEAJO-FQEVSTJZSA-N 361.445 3.981 0 40 FHAB Cc1ccc([C@@H]2CCCN2C(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 73983011 KLFJJVCXKZPWBP-IBGZPJMESA-N 361.445 3.528 0 40 FHAB CN(C)[C@@H](CN[C@H]1CC2(CCCCC2)Oc2ccccc21)c1cnn(C)c1 95973663 LAWVWEDFYSLMIW-PMACEKPBSA-N 368.525 3.839 0 40 FHAB C[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccn(C)c1 75093854 LVSMFHBIHNUCMZ-GFCCVEGCSA-N 359.376 3.768 0 40 FHAB Oc1cccc(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 60349558 XIGBJWXEEWCQSB-UHFFFAOYSA-N 371.790 3.782 0 40 FHAB CC1CCN(C(=O)CC2(N3Cc4ccccc4C3=O)CCCCC2)CC1 1548348460 MJOVBSVYDOMWTB-UHFFFAOYSA-N 354.494 3.994 0 40 FHAB O=C(O)[C@@H]1CN[C@@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)S1 408980067 UIGVPKRHTLEJMO-ZWKOTPCHSA-N 356.422 3.617 0 40 FHAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 408701626 BFZKGIYDSRXGIX-UHFFFAOYSA-N 354.431 3.854 0 40 FHAB COCCCN1C(=O)S/C(=C/c2ccc(OC(C)C)c(OC)c2)C1=O 409229353 NUQCBIKFTORHAX-LFIBNONCSA-N 365.451 3.555 0 40 FHAB NNc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1 72229758 YDCFTIPPUDYZFA-UHFFFAOYSA-N 363.240 3.597 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](c2ccsc2)C1 670355603 KBVHUIAVMUIUGW-LLVKDONJSA-N 357.884 3.588 0 40 FHAB COC(=O)c1cc(OCC(=O)Nc2cccc(Cl)c2)c2ccccc2n1 65033023 AWGGYLOQIAAXDK-UHFFFAOYSA-N 370.792 3.692 0 40 FHAB Fc1ccc(CN2CCC[C@@H]2c2cncc(Nc3nncs3)n2)cc1 72376215 NLLVCESNKSYIKN-OAHLLOKOSA-N 356.430 3.548 0 40 FHAB CCc1ccc(OCC(=O)Nc2cccc(Cl)c2C)c(-n2cnnc2)c1 32646888 ZYLZQGNEGSUJBZ-UHFFFAOYSA-N 370.840 3.809 0 40 FHAB O[C@H]1CC[C@@H](Cc2cc(-c3ccccc3)on2)O[C@@H]1CNC1CCCCC1 77262874 RMCDARNYWLHGGW-JAXLGGSGSA-N 370.493 3.715 0 40 FHAB biogenic,in-vitro CN(C)C(=O)CN1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 72349531 PMOJHVBQRVNGJQ-KRWDZBQOSA-N 371.912 3.593 0 40 FHAB CC[C@H](NS(=O)(=O)c1ccc(F)cc1C)c1ccc(OC)c(C)c1 225601153 NNLWNUGCZHAKOI-INIZCTEOSA-N 351.443 3.881 0 40 FHAB CCOc1ccc(C(=O)N[C@H](C)COC)cc1COc1cccc(C)c1 224462509 JFTWEXPBAOJJLK-MRXNPFEDSA-N 357.450 3.737 0 40 FHAB Cc1ccnn1-c1ccc(C(=O)NCCCCN2C[C@@H](C)C[C@@H](C)C2)cc1 40108510 MSSGMHBFLMPHOW-HDICACEKSA-N 368.525 3.669 0 40 FHAB O=C(Cc1cccc(Br)c1)Nc1ccc(N2CCCC2=O)cc1 225618569 SXQLKJLREMASHX-UHFFFAOYSA-N 373.250 3.757 0 40 FHAB CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 225964340 KASDMIBSJVVWQN-LBPRGKRZSA-N 366.870 3.593 0 40 FHAB COc1ccc([C@H]2[C@H](C(=O)O)c3ccccc3C(=O)N2CC(C)C)cc1 49466891 HKAVJJZFWLVSAZ-MOPGFXCFSA-N 353.418 3.717 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C 223097049 SJGAMVQIHMBRBX-NRFANRHFSA-N 366.505 3.708 0 40 FHAB COCc1cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OC 224403094 YNQOFEBAWYCQJH-UHFFFAOYSA-N 365.813 3.765 0 40 FHAB O=C(CCCc1ccccc1)N1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 98211701 LAFZNLTWLNXAMY-UHFFFAOYSA-N 374.488 3.748 0 40 FHAB Cc1ccccc1OCC(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 95482180 VFZXPWOSFPGKLJ-UHFFFAOYSA-N 371.824 3.736 0 40 FHAB Fc1cccnc1O[C@@H]1CCOC2(C1)CN(Cc1cccc3[nH]ccc13)C2 247512772 IUKJTIBADQFKKL-MRXNPFEDSA-N 367.424 3.514 0 40 FHAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCCCN2Cc2c[nH]cn2)n1 257254169 KBZGBVUHAWBFOL-MRXNPFEDSA-N 369.498 3.744 0 40 FHAB COc1ccc(-c2noc([C@H](C)O)c2C(=O)N(C)Cc2ccccc2)cc1 253396658 DYSCOVMMBSJHFM-AWEZNQCLSA-N 366.417 3.676 0 40 FHAB biogenic,in-vitro CC(=O)Nc1cccc(-n2nc3ccc(NC(=O)c4ccccc4)cc3n2)c1 255188438 JVSVSJVLXFQTLG-UHFFFAOYSA-N 371.400 3.631 0 40 FHAB Cc1c[nH]c(-c2nccnc2[C@@H]2CCCN(Cc3cc(F)cc(F)c3)C2)n1 257244377 ILAGVZWGDWOMEJ-OAHLLOKOSA-N 369.419 3.833 0 40 FHAB Cc1cccc(C[C@@H]2CCCN(C(=O)c3ccccc3Cn3cccn3)C2)n1 257250099 JLAWSAKFLNBBED-IBGZPJMESA-N 374.488 3.730 0 40 FHAB Cc1ncsc1-c1ccc(CN=c2nc(C3CCOCC3)[nH]s2)cc1 630956764 JBQXCNZQXSVOHB-UHFFFAOYSA-N 372.519 3.898 0 40 FHAB Cc1cc(C)n(-c2nc(CCNC(=O)c3ccc(Cl)s3)cs2)n1 90609360 SWBOYQSXRSOOKZ-UHFFFAOYSA-N 366.899 3.633 0 40 FHAB COc1cccc(CN[C@H]2CCCN(C(C)=O)[C@H]2Cc2ccc(C)cc2)c1 585286863 VWMWPIFFJBTSKG-GOTSBHOMSA-N 366.505 3.715 0 40 FHAB O=C(NCC1(c2ccccc2)CC1)Nc1cccc(C(=O)N2CCCC2)c1 44141230 JUTYUBRGCIBTGA-UHFFFAOYSA-N 363.461 3.776 0 40 FHAB O=C(CCc1ccc(Cl)cc1Cl)N[C@H]1CCCCC12OCCO2 89768397 UGQVAQCQQWRCAP-HNNXBMFYSA-N 358.265 3.728 0 40 FHAB CCN(CC)C(=O)/C(=C/c1ccccc1F)NC(=O)c1ccc(C)cc1 3138853 ZHUSDNYGFLDJAE-RGEXLXHISA-N 354.425 3.773 0 40 FHAB Cc1ccc2[nH]c3nc(SCC(=O)OC4CCCCC4)nnc3c2c1 5519409 IPCVXZHNQCRGAT-UHFFFAOYSA-N 356.451 3.783 0 40 FHAB O=C(O)c1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 13259720 DVBAGEGJJPHNKU-UHFFFAOYSA-N 366.398 3.951 0 40 FHAB CC(C)c1ccc(S(=O)(=O)NCCc2cccc3cccnc23)cc1 14899518 KQKMSJXILUETGQ-UHFFFAOYSA-N 354.475 3.879 0 40 FHAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1 17112919 MOLVOCIGEHRQEF-UHFFFAOYSA-N 358.463 3.670 0 40 FHAB CC(C)NC(=O)c1cccnc1[C@@H]1CCCN(C(=O)CC2CCCCC2)C1 19709397 DWYOGPCRROAVAI-GOSISDBHSA-N 371.525 3.896 0 40 FHAB CC(C)CNC(=O)c1cc([C@@H]2CCN(C(=O)C(C)C)C2)nc2ccccc12 19761614 NNNDZRMLZARFLJ-MRXNPFEDSA-N 367.493 3.593 0 40 FHAB O=C(Nc1cccc(C(F)(F)F)c1)c1cnc(-c2ccccc2)[nH]c1=O 19937243 QURKVVWJOLYTOP-UHFFFAOYSA-N 359.307 3.708 0 40 FHAB Cc1nnc(S/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)O)[nH]1 6329405 QLWJFMBQGFJUNL-SXGWCWSVSA-N 372.425 3.878 0 40 FHAB Cc1sc(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CC3)c2C)c(C#N)c1C 8334760 NASCYTGIYHROBX-LZYBPNLTSA-N 364.474 3.830 0 40 FHAB CSc1ccc(CN(C)C(=O)C[C@@H](NC(C)=O)c2cccs2)cc1 11519095 RBYNQOJHZOVMAM-MRXNPFEDSA-N 362.520 3.696 0 40 FHAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1nnc(C2CC2)s1 21355391 PXRALCLQRGMSPG-QMMMGPOBSA-N 368.256 3.584 0 40 FHAB COCCO[C@@H]1CCN(C(=O)[C@]2(C)CC=CCC2)[C@H]1Cc1ccccc1 1565555208 ARNZVIZIUPOOAQ-TUNNFDKTSA-N 357.494 3.608 0 40 FHAB CCOc1ccc(-c2ccc(SCC(=O)Nc3cc(C)on3)nn2)cc1 4355937 MCALZEAHEWWDLK-UHFFFAOYSA-N 370.434 3.570 0 40 FHAB C[C@H](NC(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1)c1ccccc1 11856803 MQQFCVPEIKFDOV-AWEZNQCLSA-N 367.376 3.849 0 40 FHAB O=C(Nc1ccc(F)cc1)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 15883218 SZUCJVDLSXMQQY-UHFFFAOYSA-N 356.784 3.941 0 40 FHAB Fc1ccc(CN2CCC(Oc3nccc(C(F)(F)F)n3)CC2)cc1 1775975424 HAGBNACOTIOJBH-UHFFFAOYSA-N 355.335 3.678 0 40 FHAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(CC(N)=O)cc1 13715596 MSBKMJJFVYNXOU-UHFFFAOYSA-N 369.808 3.584 0 40 FHAB Clc1ccccc1CN1CCN(c2ccc(Br)cn2)CC1 30199412 FEGOYRDIZUKGEU-UHFFFAOYSA-N 366.690 3.820 0 40 FHAB Cc1ccccc1OCCN(C)C(=O)c1cccc(OC[C@@H]2CCCO2)c1 40047188 RLTIXNVKOHJSJV-FQEVSTJZSA-N 369.461 3.704 0 40 FHAB C/C=C/c1cc(C(=O)OCc2occc2C(=O)OCC)cc(OC)c1OC 31327450 ZAYMTBUQLTZDQH-FNORWQNLSA-N 374.389 3.864 0 40 FHAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@H]3c2ccc(C)c(C)c2)nn1 32104827 HMEZMBDAHAMULF-HNNXBMFYSA-N 363.421 3.720 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1cc(C)on1 32758483 OUUAIPYEZPYPMJ-LLVKDONJSA-N 357.179 3.681 0 40 FHAB O=C(Cc1noc2ccccc12)N1CCC(OCc2ccccc2)CC1 32850871 URXLBIUHTVYMRC-UHFFFAOYSA-N 350.418 3.578 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2cccs2)o1 780976 CIGZPZCWRJUUIM-NSHDSACASA-N 357.460 3.868 0 40 FHAB Cc1c(Cl)cccc1NC(=O)CSc1nc2ccccc2c(=O)n1C 905564 JUPDUEMZRLMIPE-UHFFFAOYSA-N 373.865 3.626 0 40 FHAB Cc1cc2cc(C)c3nnc(SCC(=O)NC(C)(C)C)n3c2cc1C 1223263 CWDHNEQRYBZCGC-UHFFFAOYSA-N 356.495 3.815 0 40 FHAB COC(=O)CSc1nc(SC)nc2sc3c(c12)CC(C)(C)OC3 2221195 PVPQFYBPXPDEMS-UHFFFAOYSA-N 370.521 3.530 0 40 FHAB CN(Cc1ccccc1)C(=O)COC(=O)Cc1c(Cl)cccc1Cl 3254443 MNOSYAJJUMMCDR-UHFFFAOYSA-N 366.244 3.738 0 40 FHAB CC(=O)Nc1ccccc1OCCOc1ccc(Br)cc1 3358257 RNXJAUOSCDNNQZ-UHFFFAOYSA-N 350.212 3.865 0 40 FHAB O=C(c1ccc(C(F)(F)F)cc1)N1CCN=C1SCc1cccnc1 4061187 OGULORPGJYLUMW-UHFFFAOYSA-N 365.380 3.846 0 40 FHAB COc1ccc(-c2csc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)n2)cc1 4199840 NTQNVCPUFTYIAI-KOZAUXTDSA-N 372.446 3.504 0 40 FHAB COc1ccc(C)c2sc(NC(=O)c3coc4ccccc4c3=O)nc12 4292227 MAUJHLAHHQCUTE-UHFFFAOYSA-N 366.398 3.972 0 40 FHAB Cc1nc(C)c(-c2ccc(SCC(=O)NC3CCCCC3)nn2)s1 4358307 UAPKCBUZXZNUDI-UHFFFAOYSA-N 362.524 3.758 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)CSc1ccc2c(c1)OCCO2 5019015 ZMKVVGYYXSLGCI-OAHLLOKOSA-N 357.475 3.687 0 40 FHAB Cc1ccc(N(C(=O)c2ccccc2Cl)[C@H]2C=CS(=O)(=O)C2)cc1 5070861 ABTRAAJLDMPSRD-HNNXBMFYSA-N 361.850 3.606 0 40 FHAB CC(=O)c1ccc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)cc1 5111735 NXFCEVZJYFRDEE-UHFFFAOYSA-N 365.307 3.704 0 40 FHAB CCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1cccc(OC)c1 5343658 VCHPUEMETQOYJY-FQEVSTJZSA-N 363.417 3.746 0 40 FHAB COc1cc2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)[nH]c2cc1OC 5347869 JPZQBIXBRBGNIY-UHFFFAOYSA-N 354.450 3.884 0 40 FHAB Cc1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)cc1Cl 5399585 UIZSWFJLJUMMDN-UHFFFAOYSA-N 371.799 3.650 0 40 FHAB COc1cc(C(=O)Nc2nc3c(s2)CCCC3)ccc1OC(F)F 6342492 YRHYRQUCQLYEGE-UHFFFAOYSA-N 354.378 3.884 0 40 FHAB CSCC[C@H](NC(=O)COc1ccccc1C)c1nc2ccccc2[nH]1 6506677 IQHZJCRYMXUTFK-KRWDZBQOSA-N 369.490 3.861 0 40 FHAB CCNCc1cc(Br)c(OCc2cccnc2)c(OC)c1 6870004 XBSZQUSPAPNYFL-UHFFFAOYSA-N 351.244 3.541 0 40 FHAB O=C(CCSc1ccc(Cl)cc1)NC[C@H]1COc2ccccc2O1 7007767 RWZGIVRRZCXQDS-AWEZNQCLSA-N 363.866 3.778 0 40 FHAB Cc1ccc(OCCOC(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1 7737682 IDXZBBWNWQIICU-UHFFFAOYSA-N 358.777 3.991 0 40 FHAB Cc1onc(-c2ccccc2)c1C(=O)NCCCn1cnc2ccccc21 8159761 AYUQCJOZYQYEHX-UHFFFAOYSA-N 360.417 3.820 0 40 FHAB CCOc1ccc(CNn2c(-c3ccccc3OC)n[nH]c2=S)cc1 8324124 IBQHJINULDHFRM-UHFFFAOYSA-N 356.451 3.759 0 40 FHAB CCn1nnnc1NCc1cccc(OC)c1OCc1ccc(Cl)cc1 8340128 AQTLJLIPFXGHDQ-UHFFFAOYSA-N 373.844 3.546 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C)cc1 8478109 ANAHYNKWXFLEDR-HOTGVXAUSA-N 354.450 3.929 0 40 FHAB O=C1c2ccccc2N[C@@H](c2cnn(-c3ccccc3)n2)N1C1CCCC1 8719571 BNNJFKJUOGIFHV-HXUWFJFHSA-N 359.433 3.776 0 40 FHAB CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(C2SCCCS2)cc1 8851685 XGLVOKHOPLNNBN-UHFFFAOYSA-N 366.552 3.542 0 40 FHAB COc1ccc(C(=O)Nc2ccc(I)cc2)cc1C 9140044 VUNIQZDTSDQTBS-UHFFFAOYSA-N 367.186 3.861 0 40 FHAB CC(C)CCC[C@@H](C)NC(=O)CCSc1nc(Cl)nc2nc[nH]c12 9421190 JYUCREHPASFCNA-LLVKDONJSA-N 369.922 3.820 0 40 FHAB CCCCC[C@H](C)NC(=O)CSc1nnc(NCc2ccco2)s1 9544395 SPLLPRPEWZHUNO-LBPRGKRZSA-N 368.528 3.920 0 40 FHAB C[C@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(Cl)c(Cl)c1 9689761 HAPXXSJWXXCJQD-VIFPVBQESA-N 362.216 3.721 0 40 FHAB Cc1c(Cl)cccc1NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 11127640 KPFBSLWFEINIJK-GFCCVEGCSA-N 357.841 3.824 0 40 FHAB CCn1ccc(C(=O)Nc2nc(-c3nc4ccccc4s3)cs2)n1 11738174 VEFHLEYBTGDDRC-UHFFFAOYSA-N 355.448 3.889 0 40 FHAB O=c1[nH]c2ccccc2n1CCCSc1nc2cc(F)c(F)cc2[nH]1 12520053 QUJWHUADARLDIL-UHFFFAOYSA-N 360.389 3.667 0 40 FHAB Cc1cccc(OCCCC(=O)N[C@H](c2ccccc2)c2nccn2C)c1 12520220 RAJUAWMPFPCFOJ-OAQYLSRUSA-N 363.461 3.793 0 40 FHAB CCOc1ccc(C(=O)N2CCN(c3ccccc3Cl)CC2)cc1OC 12534714 BVLBGBXPGVZGJA-UHFFFAOYSA-N 374.868 3.710 0 40 FHAB O=S(=O)(NCCCCOc1ccc(Cl)cc1)c1cccc(F)c1 12732894 GQZZYKWOSROKSV-UHFFFAOYSA-N 357.834 3.617 0 40 FHAB Cc1nc(S)sc1CC(=O)N[C@@H](C)c1ccc(Br)cc1 12794149 NSUCEDRZOXHXEE-QMMMGPOBSA-N 371.325 3.923 0 40 FHAB COc1ccc(NC(=O)[C@H](NC(=O)OCc2ccccc2)C(C)C)cc1 12822240 WTXTXIUCLPRWLW-GOSISDBHSA-N 356.422 3.585 0 40 FHAB CC(=O)c1ccc(OCC(=O)NCc2ccc(-c3csc(C)n3)o2)cc1 12995869 FXAXAFNZXRAEKX-UHFFFAOYSA-N 370.430 3.609 0 40 FHAB Cc1cccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 14141083 XBOUPVCWDZFMCV-UHFFFAOYSA-N 367.474 3.743 0 40 FHAB CC(C)n1ncc2cc(C(=O)N(C)Cc3nc4ccccc4s3)cnc21 14182433 MXOJGMFKJWKEBE-UHFFFAOYSA-N 365.462 3.894 0 40 FHAB CC(C)OC(=O)c1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1 14942786 FNWJJPPRPXQJNW-UHFFFAOYSA-N 366.417 3.631 0 40 FHAB CC(C)(C)c1ccc(C(=O)N2C[C@@H]3C[C@H]2C(=O)N3c2ccccc2F)cc1 15069771 FRHCHKHQDXQKNZ-LPHOPBHVSA-N 366.436 3.753 0 40 FHAB O=C(Nc1ccc(-n2cnnn2)cc1)c1sc2ccccc2c1Cl 15646415 FXLVUZVRKPVKCD-UHFFFAOYSA-N 355.810 3.783 0 40 FHAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccs2)cc1Cl 15836298 XLTCEURQZIWHMC-CYBMUJFWSA-N 357.884 3.936 0 40 FHAB O=S(=O)(Nc1c(F)c(F)c(F)c(F)c1F)c1ccc(Cl)s1 17074830 WBQHDHDONZWQIG-UHFFFAOYSA-N 363.716 3.898 0 40 FHAB CC(C)C[C@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccccc1 18131173 PMSMBPADZPTNDY-IBGZPJMESA-N 359.491 3.748 0 40 FHAB CN(Cc1ccccc1N1CCOCC1)C(=O)C(C)(C)c1cccc(F)c1 19718509 UJUMIFLVHCUMOJ-UHFFFAOYSA-N 370.468 3.599 0 40 FHAB CCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)c1cccc(Cl)c1 20011483 GCMVAJCPJLQIRM-GFCCVEGCSA-N 351.855 3.625 0 40 FHAB C[C@@H](c1ccccc1)N(C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 20814467 GNVUDQSVQHETAW-AWEZNQCLSA-N 369.856 3.552 0 40 FHAB CC(C)c1ccccc1OC[C@@H](O)CN1CCN(c2ccc(F)cc2)CC1 23224645 LLILXNIYNVEYTA-FQEVSTJZSA-N 372.484 3.511 0 40 FHAB COc1ccc(F)cc1C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 23487528 AACQUGNNEDEYBM-UHFFFAOYSA-N 368.364 3.610 0 40 FHAB Cc1cccc(NC(=O)CCn2c(=S)[nH]c3ccccc3c2=O)c1C 24813551 MLIIAZDSAZEOMQ-UHFFFAOYSA-N 353.447 3.705 0 40 FHAB CNC(=O)c1ccc(CN(Cc2nc3ccccc3s2)C2CC2)cc1 25189358 PBAPWSYFWCNQAL-UHFFFAOYSA-N 351.475 3.821 0 40 FHAB Cc1cc(N(Cc2cccs2)C2CC2)n2nc(C(F)(F)F)nc2n1 25494442 IUXFAADEURTGMA-UHFFFAOYSA-N 353.373 3.682 0 40 FHAB O=C1c2ccccc2NC2(CCSCC2)N1c1ccc2c(c1)OCO2 27865218 YYRRYYBOWPZXGA-UHFFFAOYSA-N 354.431 3.711 0 40 FHAB Cc1cc(NC(=O)COc2ccc(C)c(C)c2)n(-c2ccc(F)cc2)n1 28306432 BZTQRXKGILYSTM-UHFFFAOYSA-N 353.397 3.954 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)Cc1ccccc1Cl 28612264 OPYQHNMKGKJJMU-HNNXBMFYSA-N 359.853 3.563 0 40 FHAB COc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OCc1ccncc1 28922831 YNSPWJFWVIEEIU-FQEVSTJZSA-N 361.401 3.523 0 40 FHAB Fc1ccc([C@@H]2CN(Cc3cc(Cl)cc4c3OCOC4)CCO2)cc1 29538357 YAESDPFJXUKKAS-SFHVURJKSA-N 363.816 3.919 0 40 FHAB CC[C@H](Oc1ccccc1)C(=O)NCc1ccccc1CN1CCCC1 30556142 KPLIUQZULFTERG-NRFANRHFSA-N 352.478 3.756 0 40 FHAB CN(Cc1ccc(F)cc1F)C(=O)c1cc(Br)ccc1O 30699492 JLHPXVYEHNIFRJ-UHFFFAOYSA-N 356.166 3.705 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)c3ccc(OC(F)(F)F)cc3)ccc21 32722098 IYLJQMBVEFXMCP-UHFFFAOYSA-N 364.323 3.747 0 40 FHAB CC1=C[C@@H](CNCc2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nnc(C)o1 35442628 LGUDFBPLFTXUMY-UFYCRDLUSA-N 354.498 3.960 0 40 FHAB biogenic,in-vitro COc1cc([C@@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)ccc1O 36354140 DLXGOBYNEYYCSX-LBPRGKRZSA-N 359.451 3.971 0 40 FHAB Cc1ccc(-c2cnc(CCC(=O)N(C[C@H]3CCOC3)C3CC3)o2)cc1C 40107945 FZQVLLPFVQLJJS-QGZVFWFLSA-N 368.477 3.919 0 40 FHAB COc1cc(/C=C/C(=O)N2CCO[C@H]3CCCC[C@H]32)cc(Cl)c1OC 40145725 DPWSXTNXGWHGLM-KJMJWJSPSA-N 365.857 3.540 0 40 FHAB CC(=O)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 42629559 JSEPMXWOGKPBKU-CYBMUJFWSA-N 357.793 3.501 0 40 FHAB CN(C)[C@H](CNC(=O)Nc1cccc(NC(=O)C2CC2)c1)c1cccs1 44103188 HKOJPQTYSUIAEO-MRXNPFEDSA-N 372.494 3.521 0 40 FHAB C[C@@H]1CCCN(Cc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)C1 46934458 QQJIKJLBKAZJTN-OAHLLOKOSA-N 352.434 3.900 0 40 FHAB CCOC(=O)c1c(NCc2ccc(C)cc2)c2cc(F)ccc2[nH]c1=O 49001415 XKWDINMBABJKKW-UHFFFAOYSA-N 354.381 3.764 0 40 FHAB O=C(NCc1cccc(OC(F)F)c1)C1(c2ccccc2)CCOCC1 50366336 AAGAYIHZYZTQRZ-UHFFFAOYSA-N 361.388 3.653 0 40 FHAB O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1Nc1ccccc1 54016047 NLSMKIOSCGXXKN-GOSISDBHSA-N 373.460 3.619 0 40 FHAB O=C(N[C@@H]1CCc2ccccc21)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 57416579 RBAIQYUAUYYABJ-SCLBCKFNSA-N 372.827 3.636 0 40 FHAB COCCn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc21 57419387 WPQZCGNJXXPRRL-UHFFFAOYSA-N 361.445 3.742 0 40 FHAB biogenic O=C(CC[C@@H]1CCCO1)Nc1nnc(SCc2cccs2)s1 58169099 FJJQHHGHURRTNR-JTQLQIEISA-N 355.510 3.790 0 40 FHAB CCn1c(CN(C)C(=O)NC[C@@H](OC)c2ccccc2)nc2ccccc21 58210227 HNPPJWVFLCGSTG-LJQANCHMSA-N 366.465 3.585 0 40 FHAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(SC)s2)cc1OC 58266256 XSNLGJWAZNDPNW-MRVPVSSYSA-N 356.494 3.641 0 40 FHAB CC(C)N(CCNC(=O)Cc1csc(-c2ccsc2)n1)C(C)C 58398922 QHYAVEVOQHELGW-UHFFFAOYSA-N 351.541 3.649 0 40 FHAB Cc1onc(-c2ccccc2)c1C(=O)N(CCC(=O)O)Cc1ccccc1 59432077 JYJDZIVZTMCJAC-UHFFFAOYSA-N 364.401 3.767 0 40 FHAB O=C(OCC(=O)N1CCC[C@H]1c1ccsc1)c1nccc2ccccc12 64733229 IPZVGKCWNKSYPM-KRWDZBQOSA-N 366.442 3.817 0 40 FHAB CN(C)C(=O)C[C@@H](NC(=O)Nc1cccc2cccnc12)c1ccccc1 65479409 FLFXQGOJIPPDST-GOSISDBHSA-N 362.433 3.576 0 40 FHAB FC(F)(F)Cn1c(-c2ccccc2)cn(CN2CCOCC2)c1=S 65562261 QGLAGHYTEWVWBM-UHFFFAOYSA-N 357.401 3.538 0 40 FHAB COc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccccc3F)n2)cc1 67898808 GAUOTWWXVAVTLG-FQEVSTJZSA-N 367.424 3.798 0 40 FHAB biogenic,in-vitro Cc1noc(C)c1COc1ccc([C@H]2CC(O)=Nc3c2cnn3C)cc1 71283380 CZIXJJDJUIMTBE-OAHLLOKOSA-N 352.394 3.728 0 40 FHAB O=C(CSc1nc(-c2ccccn2)n[nH]1)Nc1cccc2ccccc12 71834815 VLLPZQLLLJTXJD-UHFFFAOYSA-N 361.430 3.751 0 40 FHAB COC(=O)[C@H](CNC(=O)NC1CCCCC1)Cc1cccc2ccccc12 72282561 KRKXLUYQUCGJLC-SFHVURJKSA-N 368.477 3.803 0 40 FHAB O=C(/C=C/c1ccc2ccccc2n1)Oc1ccc(N2CCOC2=O)cc1 72290084 RYTZNULTIPJBSF-KPKJPENVSA-N 360.369 3.810 0 40 FHAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(F)ccc1Cl 72330180 FESTYKZTPOATKP-UHFFFAOYSA-N 372.179 3.937 0 40 FHAB COc1ccccc1-c1nccnc1[C@@H]1CCCN(Cc2ccccn2)C1 72358615 YAWPRVUNKHRCBJ-QGZVFWFLSA-N 360.461 3.927 0 40 FHAB Cc1nc([C@H]2CCCN2CC(C)C)nc2c1CCCN2Cc1ccccn1 72373747 XKGWUOXOLPNKQB-HXUWFJFHSA-N 365.525 3.926 0 40 FHAB COc1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2cccs2)cc1O 72405662 GRBUMUXCEPMGKG-ZDUSSCGKSA-N 355.419 3.831 0 40 FHAB CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCCOC 90427937 VWEVSUSNDAHANL-PRZPHXRZSA-N 354.531 3.605 0 40 FHAB FC(F)(F)c1csc(Cn2nc(C(F)(F)F)c3cnccc32)n1 92918483 XDLZHXKIEVRSGQ-UHFFFAOYSA-N 352.263 3.974 0 40 FHAB O=C(Oc1ccccc1)N1CCCN(C(=O)c2cccc3[nH]ccc23)CC1 95963164 KCHIUYVAJYDWOU-UHFFFAOYSA-N 363.417 3.515 0 40 FHAB COc1cccc(NC(=O)N[C@@H]2CCCc3cn(CC(F)(F)F)nc32)c1 96002650 CFJJGOHTHBETDZ-CQSZACIVSA-N 368.359 3.653 0 40 FHAB COc1cccc2cc(C(=O)NC[C@](C)(OC)c3ccccc3F)oc12 96123502 QRAMWVGJTSGJPK-FQEVSTJZSA-N 357.381 3.872 0 40 FHAB Cc1cc(C)cc(C(=O)N2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)c1 98211677 DWOJTBQCJUQWRR-UHFFFAOYSA-N 360.461 3.656 0 40 FHAB COc1ccc(C(F)(F)F)cc1N/C=C\c1nnnn1-c1ccccc1 100662202 URUFGSATINYLFR-KTKRTIGZSA-N 361.327 3.773 0 40 FHAB CC1(C)OC(=O)C2=C1NC(=O)C[C@H]2c1ccc(-c2ccccc2Cl)o1 101719289 QAKFNTXKQGQUOL-NSHDSACASA-N 357.793 3.793 0 40 FHAB Cc1nc2sc([C@@H](c3ccc(F)cc3)N3CCC[C@@H](C)C3)c(O)n2n1 102822216 ZKQVYCGRFVCSRZ-IAQYHMDHSA-N 360.458 3.765 0 40 FHAB C[C@@H](OC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1ccc(N2CCCC2)cc1 107329642 HLXAYUZZDRXEEX-OWSLCNJRSA-N 370.493 3.983 0 40 FHAB Cc1c(CNC(=O)N2CCC[C@@H]2Cn2ccnc2C)oc2ccccc12 176230663 LVOZWPCYRDGBRI-MRXNPFEDSA-N 352.438 3.620 0 40 FHAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 222818543 DUGVFTPLYIFLSJ-RTBURBONSA-N 363.490 3.648 0 40 FHAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1C 222928692 XJBXDQWHKOOGBW-OAHLLOKOSA-N 359.491 3.922 0 40 FHAB COC(=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1C 223797294 YEUNYFVSRNJORZ-UHFFFAOYSA-N 373.352 3.601 0 40 FHAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC1CCCC1 223864898 MSIKZNUAFFPOBT-CQSZACIVSA-N 350.890 3.916 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 224179531 VUOZPIABAUJWQF-HXUWFJFHSA-N 370.468 3.620 0 40 FHAB Cc1ccc(NC(=S)N2CCN(C3CCSCC3)CC2)c(Cl)c1 225215917 KRQGZEGHYHCQGF-UHFFFAOYSA-N 369.987 3.858 0 40 FHAB CCc1ccc(CC)c(CNS(=O)(=O)c2ccc(OC)c(CC)c2)c1 225794135 UMMBGXHBGJJDBA-UHFFFAOYSA-N 361.507 3.861 0 40 FHAB COC(=O)c1cc(NC(=S)NCCCc2ccco2)ccc1Cl 225805162 WHDLVCKLFYYTGT-UHFFFAOYSA-N 352.843 3.639 0 40 FHAB c1cncc(CN2C[C@@]3(CCN(Cc4cccs4)C3)c3ncccc32)c1 306143851 YOLYAIIYTKPALH-NRFANRHFSA-N 362.502 3.702 0 40 FHAB CCC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 408545706 MUDHJXGWLMARDG-HNNXBMFYSA-N 360.479 3.714 0 40 FHAB CCOc1cccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c1O 409251974 RNMGFFPGRFCRJF-GXDHUFHOSA-N 358.781 3.542 0 40 FHAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)[C@@H](Cc1ccccc1)n1cccc1 524731076 JLUNZDCOZDJUJH-BHDDXSALSA-N 365.521 3.653 0 40 FHAB biogenic COc1ccc(C[C@@H](C)C(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)cc1 535479954 MRBCPBGIBPMPMJ-GFCCVEGCSA-N 370.840 3.951 0 40 FHAB O=C(NCC[C@@H](CCO)c1ccsc1)c1cc(-c2ccccc2)on1 575605794 DPWAIZYJLYJMHU-AWEZNQCLSA-N 356.447 3.689 0 40 FHAB Cc1cc(C)nc(N2CCC[C@]3(CCC(=O)N3Cc3ccccc3)CC2)n1 585100649 RTEXTBKSSQJMMZ-QFIPXVFZSA-N 364.493 3.645 0 40 FHAB CCN1c2ccccc2N(Cc2cc(F)ccc2OC(F)F)S1(=O)=O 585124192 UQNYENMMWPMXKE-UHFFFAOYSA-N 372.368 3.518 0 40 FHAB O=C(OC1CCCC1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 585397393 PSXXYVLVEPJKPQ-INIZCTEOSA-N 371.886 3.581 0 40 FHAB CCc1cc(O)nc(-c2cccc(NC(=O)[C@H]3Cc4ccc(F)cc43)c2)n1 684396748 RWEPMFQMRXNXAZ-SFHVURJKSA-N 363.392 3.829 0 40 FHAB CC1(C)CCc2nc(O)c(C(=O)NCc3cc4ccccc4o3)cc2C1 1322817746 JIZUIGXFKZVPGW-UHFFFAOYSA-N 350.418 3.978 0 40 FHAB O=C(N[C@@H](c1cccs1)C1CCOCC1)c1cc(-c2cccnc2)on1 1565523431 ODKLOCZFHLGSHL-GOSISDBHSA-N 369.446 3.696 0 40 FHAB C[C@@H]1CC[C@@](NC(=O)c2cccc3c2ccn3C)(C(=O)O)c2ccccc21 1594324145 YGJFBFFGXCFCOF-PEBXRYMYSA-N 362.429 3.786 0 40 FHAB Cc1c(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)cnn1C 1615155099 HUGUPOGOIQKSJW-NRFANRHFSA-N 370.472 3.531 0 40 FHAB Cn1ncc(C2CC2)c1CNC(=O)NCc1cc(Cl)sc1Cl 1616044153 BXBBBLDTGLCPAN-UHFFFAOYSA-N 359.282 3.665 0 40 FHAB CC(C)(C)SCc1nnc2sc([C@H]3COc4ccccc4O3)nn12 1772491174 RDXOLIBPIXMDCD-GFCCVEGCSA-N 362.480 3.730 0 40 FHAB COc1ccnc(N2CC[C@@H]3[C@H](CCCN3C(=O)CCCC(C)(C)C)C2)n1 1775998147 TZBKTIBPMYBILE-IAGOWNOFSA-N 374.529 3.519 0 40 FHAB CC(C)c1noc(CN2CCC(COc3ccncc3Cl)CC2)n1 1849356841 LCLASPOBZUKGIK-UHFFFAOYSA-N 350.850 3.532 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(C2CCOCC2)ncn1 1888853624 VCAIENGGJIQKEF-UHFFFAOYSA-N 351.328 3.642 0 40 FHAB O=C(C1CCOCC1)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 1889939353 XLZYTXJCZUNACC-UHFFFAOYSA-N 365.477 3.640 0 40 FHAB Cc1cccn2c(=O)c3cc(C(=O)NC4CCCCCC4)sc3nc12 2498396 AUJBCVAIJIALKE-UHFFFAOYSA-N 355.463 3.670 0 40 FHAB O=C(N[C@H]1SC(c2ccccc2)=N[C@]1(O)c1ccccc1)c1ccccc1 3124427 HIMKAGWZUKMDFI-VXKWHMMOSA-N 374.465 3.781 0 40 FHAB O=C(COC(=O)c1cccc(F)c1)NC(c1ccccc1)c1ccccc1 3315350 FCYJNCPXHDZQFJ-UHFFFAOYSA-N 363.388 3.888 0 40 FHAB C[C@@H](NC(=O)COC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1 3319418 JAASEHOJEGWCGS-CYBMUJFWSA-N 365.351 3.669 0 40 FHAB NC(=O)c1ccsc1NC(=O)CSc1cccc(C(F)(F)F)c1 3443721 IKIFEFYGAVIZAG-UHFFFAOYSA-N 360.382 3.597 0 40 FHAB CCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccc(Cl)cc1 3499008 WMTKXUMHJULUHP-UHFFFAOYSA-N 364.902 3.769 0 40 FHAB COc1ccc([S@@](=O)CC(O)(c2ccccc2)c2ccccc2)cc1 4040752 PLLNSUJVNFMBGI-RUZDIDTESA-N 352.455 3.739 0 40 FHAB O=C(Nc1nccs1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 4540042 YUDBLNWFCZRZLZ-INIZCTEOSA-N 350.399 3.850 0 40 FHAB Clc1cccc(-c2nnc3sc(-c4ccc5c(c4)OCCO5)nn23)c1 4664977 GLWCBZSBVJKPBT-UHFFFAOYSA-N 370.821 3.944 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Sc1nnc2c(n1)[nH]c1ccccc12 4897830 FGXOEPBVVWLKSN-SCRDCRAPSA-N 369.494 3.682 0 40 FHAB C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)N1CCc2ccccc21 4987359 TVBJGRLGSBBCED-LBPRGKRZSA-N 369.421 3.946 0 40 FHAB CCOC(=O)Cc1csc(NC(=O)CCSc2ccc(C)cc2)n1 5191095 SPFJMGFYACSVCG-UHFFFAOYSA-N 364.492 3.678 0 40 FHAB Cc1ccccc1Cn1cccc(C(=O)N2CCCc3ccccc32)c1=O 5269282 CKMILASKIUFGPS-UHFFFAOYSA-N 358.441 3.798 0 40 FHAB COc1ccc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1F 5317112 VGQBAIIEZMPZON-UHFFFAOYSA-N 353.180 3.899 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1ccc(OC)c(N2CCCC2=O)c1 5440889 VODLOLNFFHWXMM-UHFFFAOYSA-N 374.824 3.736 0 40 FHAB COc1ccc(-c2nonc2NC(=O)c2cccc(Cl)c2)cc1OC 5451394 IYTUWYOBMXKSBS-UHFFFAOYSA-N 359.769 3.660 0 40 FHAB O=C(/C=C/c1ccccc1)OCC(=O)c1ccc(Br)s1 6054095 LUMYSZTWEPEQLV-RMKNXTFCSA-N 351.221 3.950 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1 6522360 PFXOVTOAILPSGU-CJNGLKHVSA-N 365.857 3.541 0 40 FHAB Cc1cccc(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)c1C 6930271 YIKQMQKWZFKBKN-UHFFFAOYSA-N 350.418 3.899 0 40 FHAB C[C@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccs1 7309032 SATBWOGRZVHZPX-VIFPVBQESA-N 351.371 3.686 0 40 FHAB CSc1ccc(CN(C)C(=O)CSc2nc(C)c(C)c(C)n2)cc1 7696167 SPCCXNRJMUACAL-UHFFFAOYSA-N 361.536 3.874 0 40 FHAB Cc1cccc(OCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1 7721015 OJSULNQDEYABGJ-UHFFFAOYSA-N 371.824 3.736 0 40 FHAB COc1cc(OC)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1OC 7804708 YIQWGRZDEOUXAL-UHFFFAOYSA-N 359.466 3.659 0 40 FHAB O=C(NC1CCCCC1)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 7882038 AMCQEMZCPLKSMN-NSHDSACASA-N 355.265 3.795 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)NC(C)C 8558677 YWEVKEPYKQOPJD-QGZVFWFLSA-N 358.413 3.760 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)N(C)[C@@H](C)c2ccccc2)o1 8573268 GZOWTLOJHCBQPP-LBPRGKRZSA-N 357.435 3.950 0 40 FHAB O=C1c2ccccc2N[C@H](c2ccc3c(c2)OCCO3)N1C1CCCC1 8725854 QIQRNEMZSTWQBA-FQEVSTJZSA-N 350.418 3.967 0 40 FHAB Fc1ccc(-c2noc(CSc3nnc(-c4ccncc4)o3)n2)cc1 8761899 BWENPPCFGVERAU-UHFFFAOYSA-N 355.354 3.613 0 40 FHAB C[C@@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)NCc1ccco1 8940954 NBXRPDOLIPKWDJ-SNVBAGLBSA-N 362.842 3.515 0 40 FHAB Cc1cc(Br)ccc1NC(=O)c1ccc2c(c1)CCC(=O)N2 9155794 DEGHMGLPAXEMDX-UHFFFAOYSA-N 359.223 3.895 0 40 FHAB Fc1cccc(CSc2nnc(N3CCOCC3)n2-c2ccccc2)c1 9364711 SGDIVEFWIPBNRT-UHFFFAOYSA-N 370.453 3.535 0 40 FHAB COc1ccc2[nH]c(=O)c(-c3noc(-c4ccc(Cl)cc4)n3)cc2c1 9703078 REQAKLRBDXIWHK-UHFFFAOYSA-N 353.765 3.907 0 40 FHAB CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(F)c1 9762754 GYYWTHWLXYLADE-UHFFFAOYSA-N 353.397 3.505 0 40 FHAB CN1CCOc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2C1=O 9828084 ISXAGRHATBBNCH-UHFFFAOYSA-N 352.434 3.701 0 40 FHAB CC(C)[C@H](NC(=O)N(C)CC(=O)NC(C)(C)C)c1ccc(Cl)cc1 9940990 FRAMXTKAHKUAQR-INIZCTEOSA-N 353.894 3.593 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC[C@@H](C)C3)c2)cc1 10112570 REJHWBXNXNMRLE-MRXNPFEDSA-N 372.490 3.668 0 40 FHAB CN(CCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 10113751 JJFAUIWHMFXLNH-UHFFFAOYSA-N 373.305 3.549 0 40 FHAB Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2cccc(C)c2C)S(C)(=O)=O)c1 10434219 JAQWNBYKPCJOIR-KRWDZBQOSA-N 374.506 3.713 0 40 FHAB CCOc1ccccc1C(=O)NCCc1csc(-c2cccnc2)n1 11758729 NBVNDUBSQXPEIA-UHFFFAOYSA-N 353.447 3.576 0 40 FHAB CCCC(=O)N1CC[C@@H](c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)C1 12242069 DAHUNCCKCXXXOE-GFCCVEGCSA-N 368.403 3.988 0 40 FHAB C[C@@H]1C[C@H](c2ccccc2)n2nc(NC(=O)CCc3ccccc3)nc2N1 13127171 AYPOGAKWEVZOEN-CRAIPNDOSA-N 361.449 3.643 0 40 FHAB O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1c[nH]c2ccccc12 13653718 FWCOESNJEXREAD-UHFFFAOYSA-N 352.781 3.801 0 40 FHAB Oc1nc2sc3c(c2c2nc(COc4ccccc4)nn12)CCCC3 13683119 SXVNQWDGOZVCJH-UHFFFAOYSA-N 352.419 3.502 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccc2c(C)cc(=O)oc2c1 14109580 CGQHZMAHZLBARN-AWEZNQCLSA-N 367.401 3.824 0 40 FHAB CCOc1ccc(-c2nnc(SCc3ccc(C(N)=O)cc3)o2)cc1 14137755 AISVWIWIAYBHQK-UHFFFAOYSA-N 355.419 3.527 0 40 FHAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2cccc3ccccc23)cc1 14428989 ALBAIBNTVCXCGF-UHFFFAOYSA-N 353.443 3.951 0 40 FHAB CCCC[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1ccccc1 18086523 MVNVHGOJCFGFJL-FHWLQOOXSA-N 368.408 3.694 0 40 FHAB Cc1ccc(CC(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)cc1 19209893 XQYIEYSONVJCTP-MQSCRBSSSA-N 366.480 3.765 0 40 FHAB c1cncc(-c2noc([C@@H]3CCN(Cc4cccc5cccnc45)C3)n2)c1 19347291 ULWWSJOIHUAKPE-GOSISDBHSA-N 357.417 3.669 0 40 FHAB CC(C)(C)c1csc(CCNC(=O)c2cn3cc(Cl)ccc3n2)n1 19716759 RHPBRZISODOQQS-UHFFFAOYSA-N 362.886 3.714 0 40 FHAB Nc1cc(Cl)ccc1NC(=O)COc1ccc(Br)cc1 20021644 LLLSSCDJVJSTCS-UHFFFAOYSA-N 355.619 3.702 0 40 FHAB CC(C)C[C@H](NC(=O)CCCc1ccccc1)c1nnc2ccccn12 20724871 NGQSZAWWTHFSCD-SFHVURJKSA-N 350.466 3.956 0 40 FHAB CCOc1ccc2c(c1)c(=O)c(C(=O)N[C@H](C)c1ccc(F)cc1)cn2C 22606082 BHEPCPAHMQPSTI-CYBMUJFWSA-N 368.408 3.567 0 40 FHAB CC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1nc2c(s1)CCCC2 28226890 CGRYZDIBDDKWPQ-CYBMUJFWSA-N 360.435 3.547 0 40 FHAB COc1cccc(C(=O)N[C@H](C)c2ccc(-n3cccc3)cc2)c1OC 28303907 FDUSKUWZMDEVLS-OAHLLOKOSA-N 350.418 3.986 0 40 FHAB C[C@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1cc(F)ccc1F 28912185 WWWVXPXHFGWZOC-LBPRGKRZSA-N 359.376 3.531 0 40 FHAB O=C(COc1cc(Cl)ccc1Cl)N1CCn2c1nc1ccccc12 29377426 LMKNQEFTHJQXGD-UHFFFAOYSA-N 362.216 3.769 0 40 FHAB Cc1nccc(-c2cccc(NC(=O)CSCc3c(C)noc3C)c2)n1 31802717 BYKHJFNBOXTQFA-UHFFFAOYSA-N 368.462 3.929 0 40 FHAB O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)OCO2 32126718 XPIUNKQTZMKUBF-UHFFFAOYSA-N 369.229 3.849 0 40 FHAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc(N2CCCC2=O)cc1 32719711 BLNONDKNHSFUEV-UHFFFAOYSA-N 370.424 3.623 0 40 FHAB CC[C@H](CNC(=O)COc1cccc(NC(=O)C2CC2)c1)c1ccccc1 32817977 BEHMKWONZVVXQV-MRXNPFEDSA-N 366.461 3.724 0 40 FHAB COc1cc(OC)cc(C(=O)N(Cc2cccnc2)Cc2ccco2)c1 32905893 YWXPSUWJDVUELL-UHFFFAOYSA-N 352.390 3.534 0 40 FHAB COc1cccc(CC(=O)NCc2ccccc2CN2CCC(C)CC2)c1 32930423 DDVGFADYLLPPFV-UHFFFAOYSA-N 366.505 3.786 0 40 FHAB COc1ccc(-c2nnsc2C(=O)NCc2ccccc2Cl)cc1 36355082 LJDZUNDGJMSFGK-UHFFFAOYSA-N 359.838 3.797 0 40 FHAB Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 36392684 IAZRBGDIZZOBCK-UHFFFAOYSA-N 373.474 3.729 0 40 FHAB Cc1ccc(C)c(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)CCC(=O)N3)c1 40012707 LIDYUJQBWVFTRB-CQSZACIVSA-N 351.402 3.616 0 40 FHAB Cc1cc([C@H](C)NC(=O)[C@H](C)NC(=O)OCc2ccccc2)c(C)s1 40080912 FCKLRINQIZEZFT-KBPBESRZSA-N 360.479 3.857 0 40 FHAB CCc1c(C(=O)NCc2ccccc2OC(F)F)cnn1C(C)(C)C 40151975 VOSRVYOBKILCIU-UHFFFAOYSA-N 351.397 3.732 0 40 FHAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)c(C)cc1Br 41095033 PVPQTUSWOWRCFU-UHFFFAOYSA-N 366.280 3.817 0 40 FHAB O=C(c1ccco1)N1CCC[C@@H](C(=O)N2CCC[C@@H]2c2ccsc2)C1 48251650 XYCHXJMAHZOUOD-GDBMZVCRSA-N 358.463 3.557 0 40 FHAB C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)CC[C@@H]3CCCO3)cc2)C1 48311203 YZNZXJGPRVSDSQ-OPYAIIAOSA-N 358.526 3.740 0 40 FHAB COc1cccc(CNC(=O)c2sc(-n3cccc3)nc2C(C)C)c1 49006263 WZKCIPDYQHPNDH-UHFFFAOYSA-N 355.463 3.996 0 40 FHAB CC(C)Oc1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 49225741 DSJRJKRWIAQBNF-UHFFFAOYSA-N 356.422 3.558 0 40 FHAB COc1ccc([C@H](C)NC(=O)COC(=O)c2cc(Cl)ccc2F)cc1 51357253 SENXDRSRVULSIE-NSHDSACASA-N 365.788 3.522 0 40 FHAB C[C@@]1(CCc2ccc(O)cc2)Nc2ccccc2C(=O)N1C[C@H]1CCCO1 52806759 RYEXBLDYCYLHPS-XMSQKQJNSA-N 366.461 3.788 0 40 FHAB COc1ccc(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)cc1 52839054 IBDSUZVXCLTYMN-UHFFFAOYSA-N 374.440 3.582 0 40 FHAB CCOC(=O)c1oc2ccccc2c1CN1CCN(c2ccccc2)CC1 55185040 ICNOPVPCNYYNMV-UHFFFAOYSA-N 364.445 3.932 0 40 FHAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@H](C)c2sc(C)nc2C)c1 56487230 XFCJWWJEXJWSNE-ZYHUDNBSSA-N 360.483 3.840 0 40 FHAB Cc1cc([C@@H]2CCCN2C(=O)C2CCN(Cc3ccccc3)CC2)no1 57154920 WROJPDKCDJUCMI-FQEVSTJZSA-N 353.466 3.559 0 40 FHAB CCOC(=O)c1csc(NC(=O)C[C@@H]2CCCc3cc(OC)ccc32)n1 57194287 VIAWHYWWGIKRKU-ZDUSSCGKSA-N 374.462 3.777 0 40 FHAB C[C@H]1CCc2c(C(=O)OCC(=O)Nc3ccc(N(C)C)cc3)csc2C1 57503024 IVVWDFIWTDFLOJ-ZDUSSCGKSA-N 372.490 3.734 0 40 FHAB CCc1cc(=O)n(CC(=O)Nc2cccc(C)c2)c(-c2ccc(F)cc2)n1 57508635 SIWRSSLTJXCOPM-UHFFFAOYSA-N 365.408 3.559 0 40 FHAB Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc2ccccc2n1)C(C)C 57676368 BNSDCUXMMXQSQK-HXUWFJFHSA-N 361.445 3.936 0 40 FHAB CCc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 57707674 AYZUFSLWBHFIAK-INIZCTEOSA-N 350.462 3.862 0 40 FHAB CCc1cccc(OC[C@H](O)CSc2nnc(-c3cccs3)o2)c1 58157199 OEHLWVFEIIXAQE-ZDUSSCGKSA-N 362.476 3.893 0 40 FHAB CC[C@H](Sc1nnc(CCC(N)=O)n1Cc1ccco1)c1ccccc1 58216512 SLJZQLQMOPDHHX-INIZCTEOSA-N 370.478 3.581 0 40 FHAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(-c2ccc(F)cc2)s1 64335321 NTRIVKRJHWHNQJ-INIZCTEOSA-N 366.417 3.611 0 40 FHAB Cc1ccc(-c2nc(N3CCCC3)ncc2-c2ccc(C(N)=O)cc2)cc1 65371374 HOKPIZMYTCNVKR-UHFFFAOYSA-N 358.445 3.818 0 40 FHAB CSc1ccc(NC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)cn1 65591065 MFUCUUSSILRXKF-UHFFFAOYSA-N 368.462 3.542 0 40 FHAB CN(C(=O)C[S@](=O)Cc1c(Cl)cccc1Cl)c1ccccc1 66301488 GYPCMLSCOUWYHB-QFIPXVFZSA-N 356.274 3.905 0 40 FHAB CCOc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72211817 WDGZHZIXDFEBCP-SFHVURJKSA-N 360.479 3.705 0 40 FHAB c1cncc(CN2CCCC[C@H]2c2ccnc(Nc3nccs3)n2)c1 72377650 OALCCQIWKPEIMH-INIZCTEOSA-N 352.467 3.799 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1 73240599 ISNHHCKCFAOIFE-LFYBBSHMSA-N 367.430 3.874 0 40 FHAB CC[C@@]1(C)CCCN(C(=O)c2nnn(-c3cccc4cccnc34)c2C)C1 81321914 GDICTAOGIQYEOJ-NRFANRHFSA-N 363.465 3.776 0 40 FHAB CN(C)c1ccc([C@H](O)CNC(=O)Nc2ccccc2C(F)(F)F)cc1 90612024 MAOPNVSIUZTKTO-MRXNPFEDSA-N 367.371 3.627 0 40 FHAB COC(=O)C[C@@H](c1oc(C)cc(=O)c1O)c1ccc(OC)c2ccccc12 96114369 MUOAEPYMAHLFGI-MRXNPFEDSA-N 368.385 3.511 0 40 FHAB biogenic CCc1ccccc1N1C(=O)C[C@H](Nc2ccccc2Br)C1=O 101275739 AXJKPOSQSDTZCJ-HNNXBMFYSA-N 373.250 3.756 0 40 FHAB C[C@]12CC[C@H]3[C@@H](CC=C4C=C(P(=O)(O)O)CC[C@@]43C)[C@@H]1CC[C@H]2O 118923010 XYAKCBSNXBLQKE-KZYORJDKSA-N 352.411 3.982 0 40 FHAB Cc1ccc(/C=C/S(=O)(=O)NC[C@](C)(O)c2cc3ccccc3o2)cc1 217999418 ZIMJEAGAAAANRW-SGWGQVFISA-N 371.458 3.539 0 40 FHAB COc1cc(CNC(=O)[C@H](C)Oc2ccccc2OC)ccc1OC(C)C 219494047 ZLPOQRIJNLWOQA-HNNXBMFYSA-N 373.449 3.575 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C 223629187 KNJBLFXJABBHPL-IBGZPJMESA-N 366.505 3.708 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 224135603 SUUGYHVMAQEUDY-OAQYLSRUSA-N 366.505 3.789 0 40 FHAB CCC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)NC(C)C 224792994 MZVIKVOQSCRDBO-NRFANRHFSA-N 366.505 3.870 0 40 FHAB CC(C)c1ccc(NC(=S)NC2CCN(C3CCOCC3)CC2)cc1 225213952 DRODUMVOBGIANT-UHFFFAOYSA-N 361.555 3.740 0 40 FHAB COc1cccc(-c2nnsc2C(=O)N[C@H](C)CCc2ccccc2)c1 225768151 HCEWYKOCPQCTSZ-CQSZACIVSA-N 367.474 3.965 0 40 FHAB COCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cn1 225860989 NSMZRTVDTLCOBF-UHFFFAOYSA-N 354.450 3.866 0 40 FHAB COc1cc(NC(=O)c2ccc(C(C)C)cc2)cc2sc(NN)nc12 226309761 JUYURUSDRBDOLO-UHFFFAOYSA-N 356.451 3.966 0 40 FHAB COc1ccc(C(=O)N2CC[C@H](c3noc(-c4ccccc4)n3)C2)cc1F 238875986 OBARIRLXNIBCBK-HNNXBMFYSA-N 367.380 3.514 0 40 FHAB Cc1cc(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@H]32)c2cnn(C(C)C)c2n1 246177491 IOBKOIVIGVYELW-PWIZWCRZSA-N 360.461 3.779 0 40 FHAB Cc1cccc(Nc2cc([C@@H]3CCCN(Cc4nccn4C)C3)ccn2)n1 257242746 IDYQMMNQNFDWOH-GOSISDBHSA-N 362.481 3.642 0 40 FHAB Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2cccs2)cc1 408622486 PNHUDRALSSNEMJ-UHFFFAOYSA-N 370.503 3.806 0 40 FHAB CCc1ccccc1CC(=O)N1CCC(Oc2cncc(Cl)c2)CC1 519666715 ZRVSLMXCLYTYCM-UHFFFAOYSA-N 358.869 3.910 0 40 FHAB NC(=O)c1ccc(C(=O)N2CC3(CCCC3)c3cccc(Cl)c32)s1 569781059 KPRTVCJELJEXDA-UHFFFAOYSA-N 360.866 3.973 0 40 FHAB CC(C)c1nc(C2CCN(c3cc(N4CCC[C@H](C)C4)ncn3)CC2)no1 585085558 KLUZHKNGYUMENL-HNNXBMFYSA-N 370.501 3.603 0 40 FHAB COc1cccc([C@@H](C(=O)O)N2CCC3(CCc4ccccc4O3)CC2)c1 634693158 RBXMFZJOHKRFGJ-FQEVSTJZSA-N 367.445 3.681 0 40 FHAB Cc1cn2ccc(C(=O)Nc3ccc4nc([C@H]5CCCO5)[nH]c4c3)cc2n1 635441931 RSKOEDBHBHTGQL-QGZVFWFLSA-N 361.405 3.623 0 40 FHAB CS(=O)(=O)c1ccc(CSc2ncc(-c3ccc(F)cc3)[nH]2)o1 1643567645 SJLXWYFEWPOPOR-UHFFFAOYSA-N 352.412 3.505 0 40 FHAB CCN1CCN(c2ccc(NC(=O)/C=C/c3c(F)cccc3F)cc2)CC1 2037850095 SYEGDZDIIIQSBS-ZHACJKMWSA-N 371.431 3.759 0 40 FHAB CC(C)c1ccc(C[C@@]2(C)Cc3cc(C(=O)N(C)CCO)ccc3O2)cc1 2037872589 PLIUMZBGMQFXGD-QHCPKHFHSA-N 367.489 3.811 0 40 FHAB O=C([C@@H]1CCCN(c2ccnc3ccccc23)C1)N1CCC(F)(F)CC1 2298212743 WEEGTYHYLBSEKY-OAHLLOKOSA-N 359.420 3.709 0 40 FHAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccc(O)c3)o2)c1 648128 YCXLNTOLOWXFFE-UHFFFAOYSA-N 355.419 3.790 0 40 FHAB O=C1c2ccccc2C(=O)N1CN(C(=O)c1ccccc1)c1ccccc1 864617 MALMJUYPDOCJAP-UHFFFAOYSA-N 356.381 3.587 0 40 FHAB CCOc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)COC)c1 1006583 YFVLDXWIEZERSO-UHFFFAOYSA-N 362.813 3.576 0 40 FHAB COc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4cccs4)no3)C2)cc1 1364518 KHQSNMAKMCKHIA-CQSZACIVSA-N 369.446 3.827 0 40 FHAB CCOC(=O)[C@@H](c1ccccc1)[C@@H](C(=O)OCC)c1ccc(OC)cc1 1628158 QTZVCDORJRLVES-OALUTQOASA-N 356.418 3.689 0 40 FHAB O=C(C[C@@H](Cc1ccccc1)C(=O)O)Nc1cccc(C(F)(F)F)c1 2315689 HBUZMFKWRRHFNJ-CYBMUJFWSA-N 351.324 3.978 0 40 FHAB CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CC)cc1 2399635 XTVAICXCUDLAKZ-UHFFFAOYSA-N 367.474 3.710 0 40 FHAB O=C(Nc1ncc2c(n1)C[C@@H](c1ccco1)CC2=O)c1ccccc1Cl 2429450 TYSSQINMLWRMOZ-LLVKDONJSA-N 367.792 3.888 0 40 FHAB COc1ccc(-n2c(SC)nnc2-c2ccc(OC)c(OC)c2)cc1 2700588 VBTZJYRAECZKTA-UHFFFAOYSA-N 357.435 3.682 0 40 FHAB CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl 3251846 CORSFTBSWCQVSQ-UHFFFAOYSA-N 374.245 3.907 0 40 FHAB CCOc1ccccc1C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl 3260912 JKDMYGFEKOXFNJ-UHFFFAOYSA-N 369.204 3.583 0 40 FHAB Cc1ccsc1C(=O)OCc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 3343337 GVFJVDRHOFASNR-SECBINFHSA-N 374.487 3.836 0 40 FHAB COc1ccc(C(C)(C)C)cc1NC(=O)CSc1nnc(C)s1 3411153 YENDARDDTBONMO-UHFFFAOYSA-N 351.497 3.883 0 40 FHAB COc1ccc(-n2cnnc2SCC(=O)c2ccc(C)cc2C)cc1 3450170 LFVFSTYSVMOSJS-UHFFFAOYSA-N 353.447 3.868 0 40 FHAB FC(F)Oc1ccc(NC(=S)N2CCN(c3ccccc3)CC2)cc1 4134960 BXXQWMSOXQGBAP-UHFFFAOYSA-N 363.433 3.807 0 40 FHAB CCCOc1ccc(C(=O)NC[C@H]2OCCc3ccccc32)cc1OC 4141830 FAAAZDJDCJDIKJ-HXUWFJFHSA-N 355.434 3.528 0 40 FHAB COc1cc(NC(=O)COc2ccccc2C)ccc1NC(=O)C(C)C 4554779 NHNXDQIUCCQDNZ-UHFFFAOYSA-N 356.422 3.616 0 40 FHAB Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)oc2ccccc12 4581859 YZALHJXIEDCJQT-NSHDSACASA-N 358.781 3.974 0 40 FHAB COc1ccc(OCC(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc1 4676046 WSZVXUAASSSBEJ-UHFFFAOYSA-N 360.841 3.966 0 40 FHAB Cc1ccc([C@H](O)c2cc3c(cc2NC(=O)c2ccco2)OCCO3)cc1 4741129 SGPFIHRNFOOVLL-FQEVSTJZSA-N 365.385 3.693 0 40 FHAB O=C(CCc1ccccc1)N1N=C(C(F)(F)F)C[C@]1(O)c1cccs1 4974181 WSNQZJOVQWXREI-INIZCTEOSA-N 368.380 3.677 0 40 FHAB O=C(O)c1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)cc1 5234948 BZSANGXMKYLVQC-UHFFFAOYSA-N 353.399 3.853 0 40 FHAB CCc1ccc(C(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)cc1 5560642 RGXYGDGFIRAQEB-UHFFFAOYSA-N 368.429 3.767 0 40 FHAB CC1=NN(C(=O)c2ccc(C)cc2)[C@](O)(c2ccc(Br)cc2)C1 5745397 ZDSKZKMIEFEUMM-GOSISDBHSA-N 373.250 3.825 0 40 FHAB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=S)N1 5977636 GLNOKEAUKZUCPN-CQSZACIVSA-N 373.305 3.985 0 40 FHAB Cc1ccc(-n2nnnc2SCC(=O)c2c[nH]c3ccccc23)c(C)c1 6426249 XBINNMHXZSWVKF-UHFFFAOYSA-N 363.446 3.735 0 40 FHAB CCNC(=O)c1cc(Br)c(OCc2ccccc2)c(OC)c1 6561276 LDCLFQPDLIDJQW-UHFFFAOYSA-N 364.239 3.786 0 40 FHAB Cc1ccccc1-c1nnc(S[C@@H](C(=O)N(C)C)c2ccccc2)n1C 6847116 UHZZQCUPVQPGHE-QGZVFWFLSA-N 366.490 3.712 0 40 FHAB Cc1cc(OC[C@H](O)CNCCCOC(C)C)c(C(C)C)cc1Cl 7015586 UWBAEOAKJWLPSV-MRXNPFEDSA-N 357.922 3.916 0 40 FHAB COc1ccccc1NC(=O)[C@@H](C)N(C)CCOc1ccc(Cl)cc1 7267495 WVNQJCQEWBMWMM-CQSZACIVSA-N 362.857 3.686 0 40 FHAB O=C(CSc1ncnc2sccc12)c1ccc2c(c1)OCCCO2 7329408 RWRYRSTYOHCKTE-UHFFFAOYSA-N 358.444 3.828 0 40 FHAB Cc1c(O)ccc2c(COC(=O)c3cc(Cl)ccc3O)cc(=O)oc12 7505870 JZJOJYBHUDIKJU-UHFFFAOYSA-N 360.749 3.523 0 40 FHAB COC(=O)c1ccc(CSc2nnc(NC(=O)C(C)(C)C)s2)cc1 7594055 KJDVBDGFIDXXNE-UHFFFAOYSA-N 365.480 3.602 0 40 FHAB CC(=O)Nc1ccc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(F)c1 7905860 FLLOXTBNBBBYDX-UHFFFAOYSA-N 374.441 3.563 0 40 FHAB CCOc1ccc(-c2nn3c(COc4ccc(F)cc4)nnc3s2)cc1 8393364 MAEWMCZYWAXWGP-UHFFFAOYSA-N 370.409 3.970 0 40 FHAB CCOC(=O)c1sc(NC(=O)c2cc(C)nc3ccccc23)nc1C 8878434 CHPVWPJWZWPRHH-UHFFFAOYSA-N 355.419 3.737 0 40 FHAB CCn1nc(NS(=O)(=O)c2ccccc2)c2cc3cc(C)ccc3nc21 9359365 FEPOCLLVIWLNIC-UHFFFAOYSA-N 366.446 3.714 0 40 FHAB COc1ccc(-c2nnc(S)n2-c2cccc3ncccc23)cc1OC 9422753 NFWMMAVMPQZGHM-UHFFFAOYSA-N 364.430 3.788 0 40 FHAB Cc1ccc(-c2nnc([C@H](C)Sc3nnnn3C3CCCC3)o2)cc1 9500683 UYTFCTZIQWCJDU-LBPRGKRZSA-N 356.455 4.000 0 40 FHAB Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)c1C 9669182 CBQYMSPTOZGZNO-UHFFFAOYSA-N 365.458 3.785 0 40 FHAB CN(Cc1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)c1cnn(C)c1 9989093 FKUUBGCTSPBIOT-UHFFFAOYSA-N 369.852 3.925 0 40 FHAB CCOc1cc(S(=O)(=O)Nc2ccc(F)cc2)c(OCC)cc1C 11613853 CGNKUPVATPFKKG-UHFFFAOYSA-N 353.415 3.732 0 40 FHAB CCOc1ccc(NC(=O)c2ccccc2NC(=O)CCCC(=O)O)cc1 12137038 SHCIBXBJBCDDGX-UHFFFAOYSA-N 370.405 3.531 0 40 FHAB O=C(CCn1c(-c2cccnc2)cc2cccnc21)NCc1cccc(F)c1 12328130 CYUZICVHOUWONL-UHFFFAOYSA-N 374.419 3.944 0 40 FHAB COc1ccccc1-n1cnnc1SCCOc1ccccc1C(C)=O 12558247 HAXCOUMMJYXRRN-UHFFFAOYSA-N 369.446 3.650 0 40 FHAB COc1cc(NC(=O)c2ccco2)c(C(=O)NC2CCCCC2)cc1OC 12852441 TVIAXEVFOKFLEO-UHFFFAOYSA-N 372.421 3.612 0 40 FHAB O=C(CCc1nc(-c2cccs2)no1)Nc1nc2c(s1)CCCC2 12856967 CIIPIPYVWLYPTD-UHFFFAOYSA-N 360.464 3.705 0 40 FHAB CCc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1 12982922 UNWNIILOWOULLM-UHFFFAOYSA-N 367.474 3.607 0 40 FHAB Cc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)c4ccco4)cc3)nn2)n1 13009864 REFVWLPXZFBOSG-UHFFFAOYSA-N 374.404 3.868 0 40 FHAB CCOc1ncccc1C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C 13041673 OLENZOFRCMUDTL-UHFFFAOYSA-N 353.344 3.817 0 40 FHAB COc1ccccc1NC(=O)COc1cc2ccccc2cc1C(=O)O 13080382 RNDJJZPNYHCDCS-UHFFFAOYSA-N 351.358 3.564 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc2c(=O)n3c(nc2c1)CCC3 13140959 ZDHOBOHYYIEUSC-UHFFFAOYSA-N 373.334 3.614 0 40 FHAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@@H]1CCC2=O 13507162 ZMITXKRGXGRMKS-LUJOEAJASA-N 370.511 3.786 0 40 FHAB biogenic,in-man CCOc1cc(CO)ccc1OCCOc1ccc(Br)cc1 14187324 IGSGPSKTPFUNEE-UHFFFAOYSA-N 367.239 3.798 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@H]2CCSc3ccc(F)cc32)c(C)c1 15359967 SHEUISCFDRDROP-HNNXBMFYSA-N 351.468 3.958 0 40 FHAB CNc1snc(C)c1C(=O)O[C@@H](C)c1nnc(-c2cccs2)o1 16553393 RTLFPLYOWFMAIP-QMMMGPOBSA-N 350.425 3.523 0 40 FHAB CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2cccc(Cl)c2)cs1 16891479 MYTSJPNYMIQBFW-UHFFFAOYSA-N 351.859 3.962 0 40 FHAB O=C(Cc1cccc(F)c1)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1 19293720 OPFSKDOBSXMAJY-IBGZPJMESA-N 364.424 3.907 0 40 FHAB Cc1[nH]c2ccccc2c1C1N2CC3(C(C)C)CN1CC(C(C)C)(C2)C3=O 19323141 BCYHOAUDLKDRLV-UHFFFAOYSA-N 365.521 3.974 0 40 FHAB biogenic COC(=O)c1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 20049278 JCBYODVPPUJABC-UHFFFAOYSA-N 366.461 3.957 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 20460163 ABEBFMHKYUWAAW-LJQANCHMSA-N 370.424 3.858 0 40 FHAB CCc1nnsc1C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 22700177 YCMQTPXSJKHBTG-UHFFFAOYSA-N 359.480 3.563 0 40 FHAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2ccc(C)o2)c1 23496558 KNDRLTDEPYLKOG-UHFFFAOYSA-N 370.478 3.866 0 40 FHAB O=c1[nH]c2ccccc2n1C1CCN(Cc2nc3ccccc3s2)CC1 24912005 MEYGWCSXMWZUOI-UHFFFAOYSA-N 364.474 3.776 0 40 FHAB O=C(NC[C@@H]1COc2ccccc2C1)c1cc(-c2ccccc2Cl)[nH]n1 25071889 CGIWRJGOCCDNPJ-CYBMUJFWSA-N 367.836 3.711 0 40 FHAB COc1cc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)cc(OC)c1 26342595 UGERNZXQGYEHDU-QGZVFWFLSA-N 357.406 3.514 0 40 FHAB CC(=O)c1ccccc1NC(=O)[C@@H](C)N(C)Cc1nc2ccccc2s1 27541594 DVNVWMFVTPYSOQ-CYBMUJFWSA-N 367.474 3.958 0 40 FHAB C[C@@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)c1ccc(C(F)(F)F)cc1 30116827 SEZSVFQCZWEHLS-GFCCVEGCSA-N 368.399 3.531 0 40 FHAB COC(=O)c1cc(NC(=O)c2ccc(N3CCCC3=O)cc2)ccc1Cl 31054905 AXULTHBZIMVWNJ-UHFFFAOYSA-N 372.808 3.506 0 40 FHAB Cc1noc(C)c1S(=O)(=O)Nc1ccccc1N1CCc2ccccc21 31535043 CWMIOEPKZSOIIN-UHFFFAOYSA-N 369.446 3.786 0 40 FHAB CN(C)[C@H](CNC(=O)c1ccc(-n2cccc2)cc1)c1cccc(F)c1 32729690 PKAGGRYWSKZLRQ-HXUWFJFHSA-N 351.425 3.649 0 40 FHAB COc1cccc(NC(=O)CSCc2cc(=O)c3cc(F)ccc3[nH]2)c1 33063873 ZOFIPNPZQBPCGT-UHFFFAOYSA-N 372.421 3.548 0 40 FHAB COc1ccc2nc(NC(=O)c3ccc(OC)c(OC)c3OC)sc2c1 36626919 HQLFJIQOAQKVEV-UHFFFAOYSA-N 374.418 3.583 0 40 FHAB COc1ccccc1CN(C[C@@H]1CCOC1)C1CC(C)(C)NC(C)(C)C1 36740484 DWHDLFNBJMMUMB-KRWDZBQOSA-N 360.542 3.843 0 40 FHAB Cc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Br)cc2)cc1 38772000 MHNMSYCRRXLENQ-CYBMUJFWSA-N 368.296 3.938 0 40 FHAB C[C@H](C(=O)Nc1ccccc1)S(=O)(=O)Cc1ccc(C(C)(C)C)cc1 40060020 ZFIVTLXXXBAQQP-OAHLLOKOSA-N 359.491 3.926 0 40 FHAB NC(=O)c1ccc(CNC(=O)CCOc2ccccc2-c2ccccc2)cc1 40082146 UESRFJNUBZEMBI-UHFFFAOYSA-N 374.440 3.538 0 40 FHAB CC(C)CNC(=O)[C@@H]1CCCN(c2ncnc3sc4c(c23)CCCC4)C1 40268981 QAYTXXDEFLVASY-CQSZACIVSA-N 372.538 3.559 0 40 FHAB O=C(N[C@@H](C(=O)O)C(F)(F)F)OCC1c2ccccc2-c2ccccc21 44136336 GSEIXNCKLHONCZ-HNNXBMFYSA-N 365.307 3.541 0 40 FHAB in-vitro CCc1ccc(NC(=S)NCc2ccccc2CN2CCCC2=O)cc1 45704309 BXZHGIMYQUSTNU-UHFFFAOYSA-N 367.518 3.858 0 40 FHAB CN(c1ccccc1)c1ccc(CNC(=O)c2cc(-c3ccco3)[nH]n2)cn1 48286389 TUVXBVHUPRJONE-UHFFFAOYSA-N 373.416 3.763 0 40 FHAB CCC[C@@H](NC(=O)[C@@H](C)NCCOc1ccccc1F)c1ccccc1 49581037 NEYHJMQJMKWEME-VQIMIIECSA-N 358.457 3.840 0 40 FHAB Cc1nc2c3ccccc3nc(S[C@@H](C)c3nc(C4CC4)no3)n2n1 53678229 FGNSWTFVDMYCGC-VIFPVBQESA-N 352.423 3.700 0 40 FHAB CC[C@@H](C)NC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 57486748 CVLHKUZEWUNZTN-GFCCVEGCSA-N 358.829 3.773 0 40 FHAB O=C(c1cc2ccccc2cc1O)N1CCN(CCc2ccccc2)CC1 57713301 PCUSVXOXJNIMIT-UHFFFAOYSA-N 360.457 3.546 0 40 FHAB Cc1nccc(C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)n1 58406313 ZDKKTQVUFMOXIU-UHFFFAOYSA-N 368.340 3.588 0 40 FHAB COc1ccc(CN2CCC(CNC(=O)c3c(F)cccc3F)CC2)cc1 63263042 JFPKNJPVMRWNJH-UHFFFAOYSA-N 374.431 3.615 0 40 FHAB CCCc1ncc(CN2C[C@@H]3[C@@H](CCC[C@]3(O)c3ccc(F)cc3)C2)cn1 72340449 AOMHEQYOLXBIKC-WEYGHZABSA-N 369.484 3.688 0 40 FHAB Cc1ccc(Nc2nccc([C@@H]3CCCN3C(=O)C3CCCC3)n2)nc1 72377950 FVTIENDNEGTRJJ-KRWDZBQOSA-N 351.454 3.777 0 40 FHAB CCc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2scnc2C)n1 72379039 BIQFWBLYLOYAOW-OAHLLOKOSA-N 367.478 3.572 0 40 FHAB Cc1ccc(OCCCCNC(=O)[C@H]2CCN2Cc2ccccc2)cc1 78875865 BYRQISQEMFDWFL-OAQYLSRUSA-N 352.478 3.545 0 40 FHAB Cc1ccc(N2CCC[C@@H](C(=O)Nc3ccc(C(F)(F)F)cc3)C2)nn1 85470833 PSHCHDYYKXDNKH-CYBMUJFWSA-N 364.371 3.659 0 40 FHAB CCOc1ccccc1NS(=O)(=O)c1ccc(Br)c(F)c1 95067888 GJJJMWMTPBAIGD-UHFFFAOYSA-N 374.231 3.788 0 40 FHAB O=C(NC1CC1)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 96147699 KSNLALOMZDGDQF-UHFFFAOYSA-N 358.445 3.914 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1n[nH]c2c1CCCC2 96231293 VGHUOYGCGPYBPB-GOSISDBHSA-N 364.449 3.586 0 40 FHAB O=C(COc1ccc2ccccc2c1)N1CCN([C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 100609660 CIQVBVNZVDDABJ-NQSCKRDGSA-N 364.489 3.551 0 40 FHAB CCC[C@H]1[C@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@@H]2ON1c1ccccc1 102732403 QSKYXFFJXIDPSS-NLWGTHIKSA-N 364.445 3.782 0 40 FHAB COc1cccc(N2C(=O)C[C@@H](Nc3ccc(C(C)(C)C)cc3)C2=O)c1 103247501 QSFMTNQFHJUKQA-GOSISDBHSA-N 352.434 3.737 0 40 FHAB O=C(CCc1cccc(F)c1F)Nc1cnc(-c2cccc(O)c2)nc1 103272907 AYKFEHGNWKMBTH-UHFFFAOYSA-N 355.344 3.699 0 40 FHAB COc1ccccc1NCC(=O)N1CCC(Oc2cc(C)ccc2C)CC1 104044833 MNRRRUFFMQDUNH-UHFFFAOYSA-N 368.477 3.794 0 40 FHAB O=S(=O)(NCc1cn2ccsc2n1)c1ccccc1-c1ccccc1 109958256 UPWHOXSTUVGMRB-UHFFFAOYSA-N 369.471 3.541 0 40 FHAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1OC 110160403 COSFIFGBEXVACP-UHFFFAOYSA-N 355.434 3.699 0 40 FHAB CCc1ccccc1NC(=O)c1ccc(N(CC)S(=O)(=O)CC)cc1 113964252 GXANXFLLSYLWEH-UHFFFAOYSA-N 360.479 3.677 0 40 FHAB CCc1ccccc1NC(=O)c1ccccc1N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 136531546 QJJJMXDYLWVWNP-IRXDYDNUSA-N 374.440 3.957 0 40 FHAB O=C(NC[C@H]1CCCN1c1ccccc1)C1(c2ccccc2)CCOCC1 207988546 IQMVVLOVOWLVGM-OAQYLSRUSA-N 364.489 3.520 0 40 FHAB Cc1ccccc1CSCCNC(=O)c1cccc(N2CCCC2=O)c1 219209191 HLHIUNLZWVKLRL-UHFFFAOYSA-N 368.502 3.785 0 40 FHAB CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(OC)c(Cl)c1 224962545 XVKWDDYMLXEONL-UHFFFAOYSA-N 361.797 3.842 0 40 FHAB COc1cc(C)c(S(=O)(=O)NCCCc2ccccc2Cl)c(C)c1 225246493 SQLPQQBEAOQTJM-UHFFFAOYSA-N 367.898 3.877 0 40 FHAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2Br)c(C)c1 225353593 VUPKYONZHHUTAF-UHFFFAOYSA-N 370.268 3.875 0 40 FHAB COc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(F)cc1F 225786604 XQKJUFHGEGRVON-NSHDSACASA-N 352.406 3.727 0 40 FHAB COc1cccc(-c2noc(CCC(=O)N[C@H](C)c3ccc(F)cc3)n2)c1 225825485 ZIORDGAQRLTECJ-CYBMUJFWSA-N 369.396 3.694 0 40 FHAB CN(C(=O)C(F)(F)F)c1ccc(N2CCCCC2)c(Br)c1 226275475 CDJIVJOOLQNCIG-UHFFFAOYSA-N 365.193 3.965 0 40 FHAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCC2)CC1 257225105 FEVHNONTNYZWSG-WOIUINJBSA-N 371.525 3.762 0 40 FHAB C[C@]12C[C@@H](c3ccc(F)cc3)N(Cc3ccccn3)[C@H]1CCCCC(=O)N2 257288612 PUXZYOPZTBZIQW-ONTIZHBOSA-N 367.468 3.985 0 40 FHAB Cc1cccc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)c1C 409193990 JTQACMCMOIAELP-UHFFFAOYSA-N 374.506 3.561 0 40 FHAB O=C(Nc1nc2cccc(Cl)c2[nH]1)[C@@H]1CCN(c2ccccc2F)C1 558547278 PPVQWVLWUBDSJV-LLVKDONJSA-N 358.804 3.820 0 40 FHAB Cc1ccc(C)c([C@H]2CN(CCOc3cccc(C(=O)O)c3)[C@@H](C)CO2)c1 563284601 XVSPGEULTIQBED-LAUBAEHRSA-N 369.461 3.842 0 40 FHAB CO[C@H]1CCCN(Cc2ccc(C(=O)O)cc2)[C@H]1Cc1ccc(F)cc1 585277093 SHXBFOHNIZZZFX-PMACEKPBSA-N 357.425 3.746 0 40 FHAB CN(C(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O)c1ccc(Cl)cc1F 622860958 HSOLSKWIMKVGQQ-HIFRSBDPSA-N 352.837 3.623 0 40 FHAB O=C(Nc1cnccc1Oc1ccccc1)c1ccn(C2CCOCC2)n1 624956776 UQKDBWWRUBYSKP-UHFFFAOYSA-N 364.405 3.674 0 40 FHAB CO[C@@H]1CCC[C@H](CC(=O)NCc2c(C(=O)O)sc3ccccc23)C1 668275070 REZVBJWYUIAXLJ-QWHCGFSZSA-N 361.463 3.811 0 40 FHAB COCc1ncc(C(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)c(N)n1 672905416 QVPDXANHTPOUKA-INIZCTEOSA-N 374.872 3.616 0 40 FHAB O=c1c2nnc(SCC3CCCCC3)n2ccn1-c1ccc(F)cc1 1888987373 VWZAMBVMXFBECA-UHFFFAOYSA-N 358.442 3.692 0 40 FHAB COc1c(C)cccc1C(=O)Nc1sc2c(c1C(N)=O)CCCCC2 804962 JJJFQVGJQSITNL-UHFFFAOYSA-N 358.463 3.685 0 40 FHAB Cn1c(O)c(C(=O)Nc2cccc(Cl)c2Cl)c(=O)c2ccccc21 1294278 IVDXVUNIOQJMFV-UHFFFAOYSA-N 363.200 3.803 0 40 FHAB O=C(Nc1cccc(C(F)(F)F)c1)N[C@@H](Cc1ccccc1)C(=O)O 2199262 KFEUHBNBERYYSL-AWEZNQCLSA-N 352.312 3.523 0 40 FHAB CCN(C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)c1ccccc1 2636839 IYGXAPGUPLPHFT-UHFFFAOYSA-N 358.747 3.574 0 40 FHAB O=C(c1ccccc1)c1ccc(OC[C@@H](O)CNCc2cccs2)cc1 2646905 ZTEXIVPYNGEHRC-SFHVURJKSA-N 367.470 3.509 0 40 FHAB O=C(COc1ncnc2ccccc12)NCc1ccc(Cl)cc1Cl 3263534 CHWKJXUWCLFZTM-UHFFFAOYSA-N 362.216 3.632 0 40 FHAB Cc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)oc2ccc(Br)cc12 3296432 KQHMXVSJTJKYBL-AOOOYVTPSA-N 352.228 3.753 0 40 FHAB COc1ccc(CN(C)CC(=O)Nc2ccc(F)c(Cl)c2)c(OC)c1 3334776 NIOQDJCPWPRNMQ-UHFFFAOYSA-N 366.820 3.567 0 40 FHAB CSc1nc2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc2s1 3369375 IEWRUXCCTFHHPF-AWEZNQCLSA-N 358.444 3.797 0 40 FHAB CC(=O)c1ccccc1NC(=O)COC(=O)c1cccc(C(F)(F)F)c1 3386081 UAFZVQTZUPGLNK-UHFFFAOYSA-N 365.307 3.704 0 40 FHAB Cc1c(Cl)c(=O)oc2cc(OCC(=O)NCc3cccs3)ccc12 3398394 QCGWDVQYPFBZQV-UHFFFAOYSA-N 363.822 3.512 0 40 FHAB CCOc1ccc(CN(C)CC(=O)Nc2ccc3c(c2)CCC3)cc1OC 3455632 LKLFLHNYLVAKHX-UHFFFAOYSA-N 368.477 3.653 0 40 FHAB Cc1cc(-c2ccccc2)[nH]c(=O)c1S(=O)(=O)Cc1ccc(Cl)cc1 4024616 ONIRYIOVOGBHTR-UHFFFAOYSA-N 373.861 3.978 0 40 FHAB CCc1ccc(C(=O)N[C@@H](C(=O)N(C)Cc2ccccc2)C(C)C)cc1 4704026 KSYGTPCTHJMATD-HXUWFJFHSA-N 352.478 3.662 0 40 FHAB CC(=O)Nc1ccc(C(=O)Nc2nnc(CCc3ccccc3)s2)cc1 4704394 FCKGYBURFRWCSV-UHFFFAOYSA-N 366.446 3.534 0 40 FHAB COc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)n3ncnc3N2C(C)=O)cc1 4816619 PIONEWNMTBYKTG-OALUTQOASA-N 366.396 3.513 0 40 FHAB Cc1cc(C)c(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)c(C)c1 4966071 JZZWVPXQJDYZGR-UHFFFAOYSA-N 352.482 3.874 0 40 FHAB COc1ccc(NC(=O)NC2(C(=O)N3CCC[C@H](C)C3)CCCCC2)cc1 4981995 MMPDQHFDXFRBFZ-INIZCTEOSA-N 373.497 3.778 0 40 FHAB CCOC(=O)c1c(SCc2ccc(Cl)c(Cl)c2)nc(=O)[nH]c1C 5251699 IIAZMZFUSFNOAR-UHFFFAOYSA-N 373.261 3.854 0 40 FHAB Cc1ccc(C)c(-c2ccc(SCC(=O)Nc3nccs3)nn2)c1 5411873 MXYSBOLNEISBSM-UHFFFAOYSA-N 356.476 3.948 0 40 FHAB C[C@H](Sc1nc(-c2ccccc2O)n[nH]1)C(=O)Nc1cccc(Cl)c1 5486830 GXMIJJXVOAQWQF-JTQLQIEISA-N 374.853 3.950 0 40 FHAB COc1ccccc1-c1noc(CCC(=O)Nc2cccc(C)c2C)n1 5573911 RXZCMYYPKSFCLR-UHFFFAOYSA-N 351.406 3.933 0 40 FHAB COC(=O)c1sc2ccccc2c1NC(=O)c1ccc2c(c1)OCCO2 6440936 SYAVROQGYUKMJK-UHFFFAOYSA-N 369.398 3.711 0 40 FHAB COc1ccc(-c2csc(NC(=O)c3cn4ccccc4n3)n2)cc1 6511525 UPNQUCOAKXJENK-UHFFFAOYSA-N 350.403 3.719 0 40 FHAB COC(=O)c1c(COC(=O)c2cccnc2Cl)nc2ccccc2c1C 6607980 VTEAHPITXMBRGU-UHFFFAOYSA-N 370.792 3.735 0 40 FHAB CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1=O 6630155 NKJSBINDGCXBLI-LZYBPNLTSA-N 361.804 3.799 0 40 FHAB COc1ccccc1-n1c(-c2ccccc2)cnc1S[C@H]1CCOC1=O 6972998 QNSCHQOCBHKAQU-SFHVURJKSA-N 366.442 3.956 0 40 FHAB Cc1ccc(C)c(C(=O)c2ccccc2C(=O)OCC(=O)NC(C)(C)C)c1 7196580 GPMQVZZLWBUIRX-UHFFFAOYSA-N 367.445 3.606 0 40 FHAB CC(C)CNc1nnc(SCC(=O)Nc2ccc(F)cc2F)s1 7249555 OHQRBLFSYODCFZ-UHFFFAOYSA-N 358.439 3.615 0 40 FHAB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H](CC)c2ccccc2)cc1 7650824 CIPGZYRXSJTTAA-SFHVURJKSA-N 369.417 3.539 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 7655502 VWPNKSOABISMPP-CYBMUJFWSA-N 358.825 3.649 0 40 FHAB CCN(CC)C(=O)CN(C)c1ncnc2scc(-c3ccc(F)cc3)c12 7979873 FBSDWQGDJUMQMY-UHFFFAOYSA-N 372.469 3.802 0 40 FHAB C[C@@H]1C(=O)N(CC(=O)c2ccc(Cl)s2)C(=O)N1c1ccc(F)cc1 7983038 HUJFFAPZMPMZDD-SECBINFHSA-N 366.801 3.581 0 40 FHAB CCc1nn2c(=O)cc(CSc3ccc4ccccc4n3)nc2s1 8165252 NDVZNNJKMXSFRE-UHFFFAOYSA-N 354.460 3.554 0 40 FHAB COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1F 8308759 GHSCVZHLUHWUFN-GFCCVEGCSA-N 350.821 3.947 0 40 FHAB O=C1CCCCCN1CCCNc1nc(C(F)(F)F)nc2ccccc12 8325928 GKGUMKJKUYKUPM-UHFFFAOYSA-N 366.387 3.853 0 40 FHAB O=C([C@H](Oc1ccc(Cl)cc1Cl)c1ccccc1)N1CCOCC1 8395286 XOXYYNASVJFQTP-QGZVFWFLSA-N 366.244 3.972 0 40 FHAB Cc1cccc(OCCNS(=O)(=O)c2cc(Cl)ccc2Cl)c1 8508459 SFMDSFBKJNPMIF-UHFFFAOYSA-N 360.262 3.659 0 40 FHAB COc1ccccc1/C=C/C(=O)Nc1ccccc1C(=O)NC(C)(C)C 8556602 HEOPTNZXSPBUKR-BUHFOSPRSA-N 352.434 3.875 0 40 FHAB C[C@H](Sc1nc2ccsc2c(=O)n1C)C(=O)c1ccc(F)cc1F 8723837 ZYFIWGUTYNEGAU-QMMMGPOBSA-N 366.414 3.637 0 40 FHAB Cc1ccc(S(=O)(=O)Oc2cc(C)c3cnn([C@H](C)C4CC4)c3n2)cc1 8754321 SAJHJTIVNJWMTM-CQSZACIVSA-N 371.462 3.787 0 40 FHAB COc1cc(C(=S)N2CCOCC2)ccc1OCc1ccc(C)cc1 9188934 VXZYYLGLHXUFGY-UHFFFAOYSA-N 357.475 3.590 0 40 FHAB Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1[C@@H](O)CC(C)(C)C2 9420570 JNFDHXQVRZRTIM-ZDUSSCGKSA-N 357.406 3.617 0 40 FHAB O=C(NC[C@H]1CCCO1)[C@H](Sc1nc2ccccc2o1)c1ccccc1 9583668 DKXHYMJLOXDAEO-CRAIPNDOSA-N 368.458 3.956 0 40 FHAB O=C(CSc1nnc(Nc2ccccc2Cl)s1)N1CCCC1 9723294 APOQMMDBSPFEOW-UHFFFAOYSA-N 354.888 3.650 0 40 FHAB Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1NS(C)(=O)=O 10359374 WKVUPXXWRVYVSJ-UHFFFAOYSA-N 372.368 3.638 0 40 FHAB Cc1ccc(NC(=O)NCCOc2ccc(-c3ccc(F)cc3)nn2)cc1 11694577 WUGGTYWFZSFYTH-UHFFFAOYSA-N 366.396 3.792 0 40 FHAB CCN(CC)CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 12140165 GQWGTSDTNYYQQR-KRWDZBQOSA-N 359.857 3.953 0 40 FHAB COc1ccc(CN(Cc2ccco2)Cc2cnc(C)n2C)c(OC)c1 12147058 GYKIURXXSKWHLE-UHFFFAOYSA-N 355.438 3.541 0 40 FHAB C[C@H]1Cc2cc([C@H](O)CN3CC=C(c4ccc(F)cc4)CC3)ccc2O1 12361273 JBVMJBKSIHWTQO-YCRPNKLZSA-N 353.437 3.972 0 40 FHAB COc1cccc(CC(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)c1 12508074 CAANBKGTPDOTMS-SFHVURJKSA-N 369.490 3.725 0 40 FHAB Cc1cc(C)c(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)c(C)c1 12560827 UTYNXEDHJICZCJ-UHFFFAOYSA-N 353.447 3.870 0 40 FHAB COc1cc(CCNC(=O)NCc2ccc(C)cc2)ccc1OC(F)F 12753009 TVSFBXLPLQFDIR-UHFFFAOYSA-N 364.392 3.647 0 40 FHAB C[C@H](NC(=O)CCN(C)CCOc1ccccc1Cl)c1ccccc1 12787967 CTANYJKSQPIVFS-INIZCTEOSA-N 360.885 3.918 0 40 FHAB CC(C)C(=O)Nc1ccc(CNC(=O)c2ccc3ncsc3c2)cc1 12980394 MNBZHQIJJRVPRZ-UHFFFAOYSA-N 353.447 3.821 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)c2cccc(NC(C)=O)c2)cc1OC 13013086 ZGIWCQZDNSADQN-SFHVURJKSA-N 368.433 3.640 0 40 FHAB Cc1nc2c3ccccc3nc(SCC(=O)c3ccccc3F)n2n1 13228848 QTWFZKQFJVSNMM-UHFFFAOYSA-N 352.394 3.700 0 40 FHAB Cc1ccc(OCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 13670726 YDZKIZITRVZROI-UHFFFAOYSA-N 374.289 3.800 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3ccc[nH]3)o2)c1C 14093991 LGYFIPWRODCFKJ-NSHDSACASA-N 358.423 3.576 0 40 FHAB Fc1cccc(-n2nnnc2SCc2cc(-c3ccccc3)on2)c1 14187360 RDUSHMDJANRHNE-UHFFFAOYSA-N 353.382 3.749 0 40 FHAB COc1ccc([C@@H](C)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1OC 14220451 RGNWLDFLDFAXHP-OAHLLOKOSA-N 363.479 3.669 0 40 FHAB Cc1nc(-c2ccc(NC(=O)c3ccc4c(c3)OCC(=O)N4)cc2)cs1 16506125 JYTMOQXCSYOERA-UHFFFAOYSA-N 365.414 3.702 0 40 FHAB Cc1cc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)c(C)n1Cc1ccco1 16685156 GQZQMRMPWPNCLR-GJZGRUSLSA-N 372.465 3.693 0 40 FHAB Cc1nc2ncnn2c(C)c1CCC(=O)Oc1ccc(-c2ccccc2)cc1 19162679 WSHNWJCMNRQTLE-UHFFFAOYSA-N 372.428 3.946 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc2c(c1)C[C@H](C)O2)CC3 19497961 KBXLZSDIFXYCNN-ZDUSSCGKSA-N 362.429 3.698 0 40 FHAB CCc1ccccc1O[C@H](C)C(=O)N[C@H](C)COc1ccc(OC)cc1 20036117 NACFOPOMXWVSCO-HZPDHXFCSA-N 357.450 3.609 0 40 FHAB CCOc1ccc(Br)cc1CNC[C@@H](O)c1ccccc1 22075939 KRJJMUBBDHCIKO-MRXNPFEDSA-N 350.256 3.671 0 40 FHAB CC(=O)c1cc2c(cc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1)OCO2 23995776 HTRYQHRDLRSUGS-LLVKDONJSA-N 361.781 3.677 0 40 FHAB Fc1ccccc1OCCSc1nnc(-c2cccnc2)n1C1CC1 24981846 FIGVGGIGAADTEN-UHFFFAOYSA-N 356.426 3.985 0 40 FHAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H]1COc2ccccc2O1 25986367 DZBHQZOCJFYULI-GXTWGEPZSA-N 363.866 3.777 0 40 FHAB Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC[C@H](C(F)(F)F)C1 26025355 YLDCOZYJUNPRRI-AWEZNQCLSA-N 352.356 3.993 0 40 FHAB O=c1c2ccc(Cl)cc2ncn1Cc1ccc(OC(F)(F)F)cc1 26811892 KWXQZMGAAMCCHD-UHFFFAOYSA-N 354.715 3.997 0 40 FHAB COc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 27581507 CINMGHWPKQRDBR-IBGZPJMESA-N 358.869 3.916 0 40 FHAB biogenic CCCCC[C@](C)(O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 27639785 OMNFCPCBKCERJP-WRXJPGQSSA-N 368.514 3.865 0 40 FHAB COc1ccc(CC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCC2)cc1 27662135 GDOBVFWXFYIHGA-QFIPXVFZSA-N 366.505 3.890 0 40 FHAB O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCN(Cc2ccccc2Cl)CC1 27924401 JKHIEEJUWLBWRF-RTBURBONSA-N 354.881 3.788 0 40 FHAB CCc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 30752386 UJOOPTVKZXOZND-UHFFFAOYSA-N 352.843 3.526 0 40 FHAB COc1ccc(-c2nnc3sc(-c4cc(C(C)(C)C)nn4C)nn23)cc1 32094767 ZREURPKVHXIOEM-UHFFFAOYSA-N 368.466 3.559 0 40 FHAB CCCCOc1ccc(C(=O)NCCc2nc(-c3ccccc3)no2)cc1 32624219 WSGLGGDPOLWBIK-UHFFFAOYSA-N 365.433 3.888 0 40 FHAB CC[C@H](C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)c1ccccc1 32809086 HEYNFAFMLCQCSU-IBGZPJMESA-N 368.452 3.871 0 40 FHAB Cc1noc2nc(C3CC3)cc(C(=O)O[C@H](C)C(=O)c3ccccc3)c12 32869353 OOIJSJMBCWLTCW-GFCCVEGCSA-N 350.374 3.837 0 40 FHAB C[C@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)c1cccc(Cl)c1 32973791 HPFISSDUKGUARK-SWLSCSKDSA-N 352.862 3.917 0 40 FHAB Cc1cccc(-n2c(=S)[nH]c(=O)c3c(C(=O)O)cc(C4CC4)nc32)c1C 36617298 BXCWVRJUYQYDTM-UHFFFAOYSA-N 367.430 3.636 0 40 FHAB O=C(Nc1cccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1)[C@@H]1CCCO1 40051383 ITAMIXQWAPNZQD-SNRMKQJTSA-N 356.466 3.599 0 40 FHAB CC1CCC2(CC1)NC(=O)N(Cc1csc(Cc3ccccc3)n1)C2=O 40116349 QZNPJGNXVXRUDD-UHFFFAOYSA-N 369.490 3.735 0 40 FHAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cccc(OCC(=O)N(C)C)c1 44479291 KFJWVQWEHLHZDS-AWEZNQCLSA-N 374.868 3.640 0 40 FHAB C[C@@H](C1CC1)N(C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)C1CC1 46057752 LQSABVRUWHUSSC-CRVDFBCUSA-N 366.505 3.728 0 40 FHAB COC(=O)Nc1ccc(NC(=O)CCc2c(C)nc(SC)nc2C)cc1 46524754 XSUNQBJAFPGYJV-UHFFFAOYSA-N 374.466 3.565 0 40 FHAB C#CCOc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc1 50547972 MUTSBHPXKQNCRC-ATVHPVEESA-N 350.399 3.793 0 40 FHAB COc1ccccc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364446 FTZQKSLLUIVHHJ-INIZCTEOSA-N 360.413 3.854 0 40 FHAB CCC(=O)N[C@@H](CCSC)C(=O)N[C@H](C)c1ccc2ccccc2c1 54057707 MXGLUMOFUQEJSP-KDOFPFPSSA-N 358.507 3.665 0 40 FHAB CCN(CC)C(=O)c1ccc(CNCc2c[nH]nc2-c2ccc(C)o2)cc1 58232148 AWAGXYZSEUMYTC-UHFFFAOYSA-N 366.465 3.750 0 40 FHAB CCc1ncc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)s1 65066211 KKGDTTUUNFMFBO-UHFFFAOYSA-N 373.865 3.821 0 40 FHAB CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1NC(=O)c1cc(C2CC2)on1 65888396 ZCPWIFBGDKQQPG-ZIAGYGMSSA-N 363.458 3.508 0 40 FHAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)n2c(S)nnc2-c2cccs2)o1 69351007 HYXBCOLXWHVAKF-GHMZBOCLSA-N 362.480 3.635 0 40 FHAB N[C@@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1 72227311 UEDMXCGMYMFLHW-KBPBESRZSA-N 351.631 3.518 0 40 FHAB COc1ccc([C@@H](NC(=O)C[C@@H]2OC(=O)c3ccccc32)C2CC2)cc1 73089224 UPEOUCDTWPVSSN-ICSRJNTNSA-N 351.402 3.564 0 40 FHAB C[C@@H](NC(=O)CCc1nc2ncc(Br)cc2[nH]1)c1ccccc1 80332126 QXFLRYCVUFDXNL-LLVKDONJSA-N 373.254 3.530 0 40 FHAB C[C@@H]1CN(C(=S)Nc2ccc3c(c2)OCCO3)C[C@@H](c2ccccc2)O1 84714150 YVSDJTZSELYYCG-KUHUBIRLSA-N 370.474 3.617 0 40 FHAB O=C(Nc1cccc(-c2cnc3n2CCC3)c1)Nc1ccc2c(c1)OCO2 85471574 PGZBHDIPIAXOPM-UHFFFAOYSA-N 362.389 3.869 0 40 FHAB CCCCC[C@@](C)(O)/C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O 90428110 XSGQFHNPNWBVPT-XSXIWAESSA-N 366.498 3.641 0 40 FHAB O=C(NCc1ccc(C(=O)c2cccs2)s1)c1ccc2c(c1)OCO2 90610558 IUABNELIAPTTFY-UHFFFAOYSA-N 371.439 3.699 0 40 FHAB Cc1nnnn1-c1ccccc1C(=O)Nc1cccc2c1ccn2C(C)C 95476372 RJDRIQFDEQNLJC-UHFFFAOYSA-N 360.421 3.759 0 40 FHAB COC(=O)N(C)CC(=O)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1 95949130 PUNFRIXSMXFSBF-IBGZPJMESA-N 372.490 3.531 0 40 FHAB O=C(COC(=O)CCCOc1ccccc1)Nc1ccc(F)cc1Cl 96113599 ULZWGEZMUFHZOZ-UHFFFAOYSA-N 365.788 3.820 0 40 FHAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(CCOC)c1C 222870883 HJOVKRHGXMSZFH-OALUTQOASA-N 372.538 3.529 0 40 FHAB COc1ccc(CNC(=S)Nc2ccc(N3CCC[C@@H](C)C3)nc2)cc1 223926714 YCJUXYLUPODJMM-OAHLLOKOSA-N 370.522 3.813 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 224740704 SBXFYHJMDAVHAK-LJQANCHMSA-N 366.505 3.789 0 40 FHAB COc1ccc(-c2nnsc2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 225764023 GAFPRUZICVETHO-NSHDSACASA-N 357.410 3.844 0 40 FHAB COc1cccc(-c2nnsc2C(=O)N[C@@H](C)CCc2ccccc2)c1 225768132 HCEWYKOCPQCTSZ-AWEZNQCLSA-N 367.474 3.965 0 40 FHAB CN1[C@@H]2CN(C(=O)c3cc(-c4cccc(F)c4)no3)[C@@H]3CCC[C@H]1[C@]3(C)C2 257203985 ASMZJKJGFCJXKG-RMYQPGKMSA-N 369.440 3.568 0 40 FHAB Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCN(Cc3cnn(C)c3)C2)n1 257292675 QMMYZORCGRWUCT-QGZVFWFLSA-N 365.456 3.996 0 40 FHAB Cc1ncsc1C(=O)N1CC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257322234 WFDCGYYISIFLER-AWEZNQCLSA-N 371.437 3.799 0 40 FHAB Cc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2ccc(C)o2)cc1 408562890 SDXATOQMWFZRCN-UHFFFAOYSA-N 352.390 3.766 0 40 FHAB Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)OCc2ccccc2)c1C 408737259 MSSGEADNKHWZQZ-GOSISDBHSA-N 370.474 3.954 0 40 FHAB O=C1CN(C(=O)C2(c3cc(F)cc(F)c3)CCCC2)Cc2ccccc2N1 529511370 DDEZNZFJUIVLFL-UHFFFAOYSA-N 370.399 3.758 0 40 FHAB COc1cc(-c2nc(O)c3ccccc3n2)cc(Br)c1OC 575410951 PTFNLUGTYZBYQH-UHFFFAOYSA-N 361.195 3.782 0 40 FHAB O=C(CCSc1ccccc1)N1CC[C@H](Oc2ccncc2Cl)C1 575413965 ZKEJUOWPFFVFSZ-AWEZNQCLSA-N 362.882 3.897 0 40 FHAB CN(C)[C@@H](CNC(=O)Nc1ccc2c(c1)OCO2)c1cc2ccccc2o1 575620013 HOMYMYUQEOBCGX-HNNXBMFYSA-N 367.405 3.586 0 40 FHAB CN1C[C@@H](COCC2CC2)C2(CCN(Cc3cccc4[nH]ccc34)CC2)C1 585104440 ZZZGGABTDVOQHX-FQEVSTJZSA-N 367.537 3.738 0 40 FHAB O=S(=O)(NCC(c1ccco1)c1ccco1)c1ccccc1Cl 670860060 WMHUJHXCAVHOMS-UHFFFAOYSA-N 351.811 3.636 0 40 FHAB Cc1cccc(NC[C@H]2CCCN2C(=O)CCCOc2ccccc2C)n1 1328763671 XAUKJQURXPINBK-LJQANCHMSA-N 367.493 3.961 0 40 FHAB COCCO[C@@H]1CCN(C(=O)/C=C/c2cccs2)[C@H]1Cc1ccccc1 1565555283 FADVYNKSGOJKMC-ILXKITPQSA-N 371.502 3.637 0 40 FHAB c1nc(N2CCC(N3CCc4sccc4C3)CC2)c2sccc2n1 1776001003 UHUDNHUODNTQHZ-UHFFFAOYSA-N 356.520 3.780 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)CSc1nc2ncccc2[nH]1 2217079 LHVRSGHKXHWDRD-UHFFFAOYSA-N 362.842 3.659 0 40 FHAB O=C(Nc1ccccc1)N1CCN(c2nc3ccccc3nc2Cl)CC1 2388145 HCVNOYJRYAJBAB-UHFFFAOYSA-N 367.840 3.637 0 40 FHAB O=C(NCC(=O)N1CCc2ccccc21)c1ccc(Oc2ccccc2)cc1 2619545 RLIGNEURAPLEGE-UHFFFAOYSA-N 372.424 3.798 0 40 FHAB Cc1cccc(-n2nnc(C(=O)Nc3ccc(Br)cc3)c2C)c1 2699066 WTABXKVNXXJJRJ-UHFFFAOYSA-N 371.238 3.899 0 40 FHAB CCOc1ncccc1C(=O)OCC(=O)Nc1ccccc1[C@H](C)CC 3242316 HMQJHLFQKKRFLB-CQSZACIVSA-N 356.422 3.789 0 40 FHAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)Cc2c(Cl)cccc2Cl)C1 3246737 BMDRFMOZIARPEY-VXGBXAGGSA-N 358.265 3.584 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)COc1ccc(Br)cc1 3514833 IQLCYOKRODQTGM-CQSZACIVSA-N 362.267 3.965 0 40 FHAB CC(C)CC1=NN(C(=O)CCCc2ccccc2)[C@@](O)(C(F)(F)F)C1 4163424 YRBOAFXMNHYPHF-KRWDZBQOSA-N 356.388 3.895 0 40 FHAB CN(C)c1cccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 4506555 VRUFQUMHPQOSAI-UHFFFAOYSA-N 367.232 3.855 0 40 FHAB COC(=O)c1cccc(OCc2cc3c(cc2Br)OCO3)c1 4939797 ODENZJRUGNTQOL-UHFFFAOYSA-N 365.179 3.543 0 40 FHAB COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(C)c(Cl)c1)CC2 5345501 NFOWJTKMIJBYQZ-UHFFFAOYSA-N 374.868 3.662 0 40 FHAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccccc1Br 5439844 NYSLHCOJGGURMV-UHFFFAOYSA-N 359.223 3.828 0 40 FHAB Cc1ccccc1-c1nnc(SCCOC(=O)c2ccccc2)n1C 5860032 XZNORSDXVXHKQD-UHFFFAOYSA-N 353.447 3.740 0 40 FHAB CNc1nnc(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)s1 7102017 VEGKXNYQFFFTDH-UHFFFAOYSA-N 362.480 3.614 0 40 FHAB CCC1CCC2(CC1)NC(=O)N(Cc1ncc(-c3ccccc3)o1)C2=O 7389234 NHDUDKDMVIMHGC-UHFFFAOYSA-N 353.422 3.732 0 40 FHAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)c(F)c1F 7402544 PCMAJKYEIMSGPK-UHFFFAOYSA-N 351.733 3.567 0 40 FHAB COc1ccc(Cl)cc1NC(=O)COC(=O)CCc1ccsc1 7512638 CSDSZXXGEWIFLX-UHFFFAOYSA-N 353.827 3.525 0 40 FHAB COc1ccc(CN(CC(=O)c2[nH]c(C)c(C(C)=O)c2C)C2CC2)cc1 7661893 KIFLLQUCHPPBRK-UHFFFAOYSA-N 354.450 3.690 0 40 FHAB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1nccs1 7779310 OITIQGJFFYIHJQ-UHFFFAOYSA-N 366.398 3.563 0 40 FHAB COc1ccc([C@@H](CNc2ccc(C(F)(F)F)cn2)N(C)C)cc1OC 7813820 BQPBBRXIRIRPQJ-CQSZACIVSA-N 369.387 3.832 0 40 FHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1ccc2c(c1)CCC2 8349760 ZKEMGGOJXXZXFZ-MRXNPFEDSA-N 360.461 3.518 0 40 FHAB Cc1ccccc1OCc1nn(CC(=O)Nc2ccccc2)c(=S)o1 8571615 UYFICMCKUHSWIX-UHFFFAOYSA-N 355.419 3.732 0 40 FHAB COc1ccc([C@H]2NC(=O)c3sc4nc5c(cc4c3N2)CCC5)cc1 8767368 HATXISWYKQKAKC-QGZVFWFLSA-N 351.431 3.648 0 40 FHAB COCCNC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 8778414 MTGNZCWIPKBXOQ-UHFFFAOYSA-N 358.388 3.808 0 40 FHAB Cc1cccc(NC(=O)NC[C@H]2CN(c3cccc(Cl)c3)C(=O)O2)c1 8839527 FGFMMZCTACKDLQ-INIZCTEOSA-N 359.813 3.795 0 40 FHAB Nc1nnc(SCC(=O)c2ccc([C@H]3CC3(Cl)Cl)cc2)s1 9167419 DMTOCVMYDRGMIA-SECBINFHSA-N 360.291 3.757 0 40 FHAB COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)N(C)c3ccccc3)n2)cc1 9455428 SFVSUAQFRBHDOB-ZDUSSCGKSA-N 368.462 3.624 0 40 FHAB Cc1cc(C)c(NC(=O)CNC(=O)NCCc2cccc(Cl)c2)c(C)c1 9868579 KIBUCRIOFSLGCU-UHFFFAOYSA-N 373.884 3.746 0 40 FHAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC1(c2ccccc2)CCC1 10221456 YNKDDCSIWJCJKV-OAHLLOKOSA-N 370.880 3.696 0 40 FHAB CCOc1ccccc1NC(=O)CCCn1cnc2c(C)cccc2c1=O 10412630 VCTVOIHQXBUMEJ-UHFFFAOYSA-N 365.433 3.523 0 40 FHAB O=C(NCCc1cnn(-c2ccccc2)c1)c1ccc(Br)cc1 11147198 WXALULRKWRZIDA-UHFFFAOYSA-N 370.250 3.607 0 40 FHAB CCC[C@H](NC(=O)c1cc2ncc(C(C)=O)c(C)n2n1)c1cccs1 12200000 ZOHAPOPIHUAFJS-AWEZNQCLSA-N 356.451 3.573 0 40 FHAB O[C@H]1CC2(CCN(C[C@H](O)c3ccccc3)CC2)Oc2ccc(Cl)cc21 12293329 OSRVTZRKUNSAPD-OALUTQOASA-N 373.880 3.724 0 40 FHAB O=C(NCCOc1ccc2ccccc2c1)c1cccnc1N1CCCC1 12576526 UBIJKMXFFVNOBK-UHFFFAOYSA-N 361.445 3.644 0 40 FHAB Cc1ccc(CN(C)CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)cc1 12908626 DWEOBLPTJZDGCX-UHFFFAOYSA-N 366.440 3.699 0 40 FHAB O=C1CN(C(=O)c2ccc(Cl)cc2)c2ccc(C(F)(F)F)cc2N1 12982706 MHGOLXDOPKWDMM-UHFFFAOYSA-N 354.715 3.958 0 40 FHAB O=C(CN1CCSC1=O)Nc1nc(-c2ccc(Cl)cc2)cs1 12983702 RKYONEIQWWCFKK-UHFFFAOYSA-N 353.856 3.571 0 40 FHAB C[C@@]1(C(=O)Nc2nc(-c3ccccc3)cs2)Cc2ccccc2C(=O)O1 12985429 WORBXZWOQZFAKZ-FQEVSTJZSA-N 364.426 3.920 0 40 FHAB Nc1nc2n(n1)[C@@H](c1ccco1)C[C@@H](c1ccc(Cl)c(Cl)c1)N2 13127557 MFPXQSHETAFTKO-NWDGAFQWSA-N 350.209 3.906 0 40 FHAB CCOC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccc(C(C)C)cc1)CC2=O 13637179 HSKPWUYWBVTGPJ-HNNXBMFYSA-N 353.418 3.588 0 40 FHAB Cc1cccc(Oc2ccc(NC(=O)C3CCN(C(N)=O)CC3)cc2)c1 14114013 DNYOHZMVEAVXSV-UHFFFAOYSA-N 353.422 3.517 0 40 FHAB CC(C)C(=O)NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1 14257646 KFZXRMJTPUAYEH-UHFFFAOYSA-N 353.447 3.642 0 40 FHAB Cc1ccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c(O)c1 14329596 IMNOIDBRVHBPIL-UHFFFAOYSA-N 351.406 3.697 0 40 FHAB Cc1ccc2c(c1)CCCN2C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 14423078 YGQGXLUWHXYVIE-UHFFFAOYSA-N 365.401 3.584 0 40 FHAB CCc1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)s2)N(C)C)cc1 16088157 VCKHRWXSKNWLES-AWEZNQCLSA-N 372.943 3.545 0 40 FHAB O=C(Nc1ccc(F)c(F)c1F)c1ncn(-c2ccc(Cl)cc2)n1 19910793 KOXGKVSOQLLCOI-UHFFFAOYSA-N 352.703 3.590 0 40 FHAB CCSc1ccccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 20048402 SHYZIXOROYLXGH-UHFFFAOYSA-N 350.465 3.558 0 40 FHAB O=C1Nc2ccccc2CC[C@H]1Sc1nnc2sc3ccccc3n12 20745470 ZWURCYTXCQRRMR-OAHLLOKOSA-N 366.471 3.990 0 40 FHAB CCc1[nH]c(C(=O)Nc2ccccc2N2CCCC2)c(C)c1C(=O)OC 22643540 SNQWXZOHXQMQCL-UHFFFAOYSA-N 355.438 3.525 0 40 FHAB CCc1nc2sc([C@H](c3ccc(OC)cc3)N3CCCCC3)c(O)n2n1 22853116 AXZMVBHKRQZPQN-INIZCTEOSA-N 372.494 3.643 0 40 FHAB COc1cccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3C)CC2=O)c1 24748148 YXEXBOVKWHKNHX-CYBMUJFWSA-N 358.825 3.649 0 40 FHAB C[C@H]1Oc2ccc(N[C@H](C)c3nnc(-c4ccccc4)o3)cc2NC1=O 25703859 XKUVISPQBAXNMH-VXGBXAGGSA-N 350.378 3.629 0 40 FHAB CC(C)c1ccc(OCCCC(=O)Nc2nc(CC(=O)O)cs2)cc1 26469471 AXWUGIAKNQSZPV-UHFFFAOYSA-N 362.451 3.691 0 40 FHAB COc1ccc2c(c1)CCCN2C(=O)COCc1nc2ccccc2s1 27065526 MSDRAOLQEYCDDB-UHFFFAOYSA-N 368.458 3.801 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)N2CCCC2)c1 29263774 HGOLYYKTSVBDEN-UHFFFAOYSA-N 358.825 3.837 0 40 FHAB CCc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 30858286 VHVHXBHHQORLPY-HUUCEWRRSA-N 357.450 3.911 0 40 FHAB Cc1[nH]c2c(F)cccc2c1CCNC(=O)c1ccc(Br)o1 32611092 WBPPSBDBLVPPGY-UHFFFAOYSA-N 365.202 3.943 0 40 FHAB CN(C)[C@@H](CNCc1ccc(-n2ccnc2)cc1)c1ccccc1Cl 32735867 REMOQXIWHIZBOE-FQEVSTJZSA-N 354.885 3.918 0 40 FHAB Fc1c(F)c(F)c(NCc2ccccc2CN2CCOCC2)c(F)c1F 32743547 SSFPJUOJHJUVFJ-UHFFFAOYSA-N 372.337 3.826 0 40 FHAB O=C1CCc2cc(OC[C@@H](O)COc3ccc4ccccc4c3)ccc2N1 32824163 ZWAMAZNEOOJBIA-SFHVURJKSA-N 363.413 3.543 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)c3cc4ccc(F)cc4nc3C)ccc21 32856101 IEASPURCXIINQW-UHFFFAOYSA-N 363.392 3.844 0 40 FHAB COC(=O)c1ccc(CNc2ncnc3sc4c(c23)CCCC4)cc1 33012219 KAUOFFKQLGPJKK-UHFFFAOYSA-N 353.447 3.969 0 40 FHAB CCOc1ccc(-c2cc(C(=O)Nc3ccc4nsnc4c3)no2)cc1 35671126 XZSPMUGDPFEPRL-UHFFFAOYSA-N 366.402 3.997 0 40 FHAB COC(=O)c1cccc(NC(=O)C2CCN(Cc3ccccc3C)CC2)c1 39772797 RWMMKSNRPACSSA-UHFFFAOYSA-N 366.461 3.632 0 40 FHAB COc1cccc(-c2nc(COC(=O)c3c(C)nsc3N)cs2)c1 40009995 OARSROJMBNHDKB-UHFFFAOYSA-N 361.448 3.523 0 40 FHAB CC(C)c1ccc(OCCOC[C@@H](O)CN2CCc3ccccc3C2)cc1 40373358 UQJGAVXCIYEZHU-QFIPXVFZSA-N 369.505 3.625 0 40 FHAB CC(C)c1noc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 42288512 FRNGODQFXKFGCF-UHFFFAOYSA-N 354.376 3.534 0 40 FHAB C[C@@H](OC(=O)c1cc[nH]n1)C(=O)N1c2ccccc2Sc2ccccc21 46350350 JZJFUESPIQIWDE-GFCCVEGCSA-N 365.414 3.785 0 40 FHAB Cc1nn(C)c2ncc(NC(=O)N3CCC(Cc4ccccc4)CC3)cc12 48104875 NVNKXQYQKFUNRF-UHFFFAOYSA-N 363.465 3.763 0 40 FHAB O=C(COC(=O)C1(c2ccc(F)cc2)CCC1)N1CCCc2ccccc21 48264014 DVMNEACQWUPHGL-UHFFFAOYSA-N 367.420 3.770 0 40 FHAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1cc2sc(N(C)C)nc2s1 53797037 QJYQFJOTQCXPNO-UHFFFAOYSA-N 371.491 3.572 0 40 FHAB CCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2F)c1 55595033 LSFQDCPOSLZAEO-UHFFFAOYSA-N 370.833 3.937 0 40 FHAB O=C(Nc1cccc(CN2CCCC2=O)c1)NC12CC3CC(CC(C3)C1)C2 58056469 FMOVREQJTXGPHU-UHFFFAOYSA-N 367.493 3.899 0 40 FHAB C[C@H]1C[C@H](C)CN(CCCCNC(=O)NCCSc2ccccc2)C1 58202202 KJWXXBNOBQNZNW-ROUUACIJSA-N 363.571 3.836 0 40 FHAB CCCn1c(NC(=O)c2ccc(N3CCOCC3)cc2)nc2ccccc21 58434176 HBSULWYFWZONDU-UHFFFAOYSA-N 364.449 3.535 0 40 FHAB CCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(CC)cc2)cc1 61997312 QKJJRGTWBVRBGK-HXUWFJFHSA-N 366.461 3.891 0 40 FHAB Cc1ccc(-c2nnc(Cc3nc(-c4cccc(F)c4)no3)o2)cc1F 65185431 JSRVKOVVVYQXBR-UHFFFAOYSA-N 354.316 3.964 0 40 FHAB C[C@H](c1c(F)cccc1F)S(=O)(=O)CC(=O)NC1CCCCCCC1 68146521 GZFIBHWMDSZYIG-CYBMUJFWSA-N 373.465 3.670 0 40 FHAB Cc1nc(N2CCCC2)ccc1C(=O)CCCCNC(=O)OC(C)(C)C 72218960 RCVCOOVMQDQOOF-UHFFFAOYSA-N 361.486 3.868 0 40 FHAB Cc1nc(-c2ccsc2)sc1C(=O)NC1(C(=O)O)CCCCC1 72276997 OXMPKDVQPSFYTQ-UHFFFAOYSA-N 350.465 3.697 0 40 FHAB Cc1ccc(-c2c(C)nn3c(N4CCC[C@@H](O)C4)c(C)c(C)nc23)cc1 72341705 BRTHSWBDFQZRPX-GOSISDBHSA-N 350.466 3.591 0 40 FHAB CCc1ccc(Cl)c(CC)c1NC(=O)N[C@@H](C)CN1CCCC1=O 77221592 PFXWWRRPVKRANN-LBPRGKRZSA-N 351.878 3.597 0 40 FHAB O=C(NCCSCc1cccc(Cl)c1)[C@@H]1COc2ccccc2O1 78582514 ADHIGKCKTZITHE-KRWDZBQOSA-N 363.866 3.529 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H](COc2ccc(Br)cn2)C1 90397336 FGOFVVVQMWCWPY-LBPRGKRZSA-N 371.275 3.870 0 40 FHAB Cc1cc(=O)c(O)c(CN2CCC[C@H](c3nc4ccccc4s3)C2)o1 95480194 ATJRXLFNVWYQMR-ZDUSSCGKSA-N 356.447 3.643 0 40 FHAB CN(Cc1ccco1)[C@H]1COC2(CCN(Cc3ccc(F)cc3)CC2)C1 96048010 GLASKMKXFKOYEI-LJQANCHMSA-N 358.457 3.674 0 40 FHAB Cc1nc(CN2CCc3c(COCc4ccncc4)cncc3C2)cs1 96059329 YFTKLXTUZBKQHS-UHFFFAOYSA-N 366.490 3.517 0 40 FHAB CC(=O)N[C@H]1C(=O)N(CCCOc2ccccc2Cl)c2ccc(C)cc21 100485513 COFHHIYHZSCXLP-LJQANCHMSA-N 372.852 3.641 0 40 FHAB COc1cccc(OC)c1C(=O)/N=c1\sc2cc(Cl)ccc2n1C 100816083 KPTAPONQLTUZEZ-ZPHPHTNESA-N 362.838 3.652 0 40 FHAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1nc(-c2cccs2)no1 219599729 RLQCWEWSOQLOLN-AWEZNQCLSA-N 357.435 3.580 0 40 FHAB CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCOC)c1C 223048881 FSUXOWCDGFIPTE-MOPGFXCFSA-N 372.538 3.529 0 40 FHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccccc2)cc1 223117826 FUXIIDJMDVBSFS-RGEXLXHISA-N 362.385 3.698 0 40 FHAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C 224574291 HQSONQFRAWUFJV-RBUKOAKNSA-N 364.474 3.606 0 40 FHAB CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224895543 UPWSXJJKIRNZDK-UHFFFAOYSA-N 366.870 3.822 0 40 FHAB CCn1c(=O)sc2cc(NC(=O)/C=C/c3ccc(OC)cc3)ccc21 225074846 YDSAKUMZRQZYCW-IZZDOVSWSA-N 354.431 3.743 0 40 FHAB COc1ccc(C[C@H](Oc2ccc(Cl)c(C)c2)C(=O)O)c(OC)c1 225112491 XVNFPLMXLOMQJK-KRWDZBQOSA-N 350.798 3.740 0 40 FHAB COc1cccnc1NC(=S)NCCCc1cccc(OC(C)C)c1 225566914 GUUNKVGSTQHPET-UHFFFAOYSA-N 359.495 3.797 0 40 FHAB CCN(CCCNC(=S)Nc1ncccc1OC)c1ccc(C)cc1 225735353 RCCVQUXPIAICLF-UHFFFAOYSA-N 358.511 3.602 0 40 FHAB COC(=O)c1cccc(NC(=S)NC2(c3cccnc3)CCCC2)c1C 225858962 MQXKOHUCHFUPTM-UHFFFAOYSA-N 369.490 3.933 0 40 FHAB CCOCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)c(C)n1 225900549 GRIOXWUZYFURDW-QRWLVFNGSA-N 364.486 3.729 0 40 FHAB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1cc2ccccc2s1 238856466 JZRLQKXGHQNMCN-NRFANRHFSA-N 367.470 3.864 0 40 FHAB COc1ccc(NC(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 242963098 HKANZMMRFKMQOS-UHFFFAOYSA-N 372.852 3.840 0 40 FHAB O=C(c1cnc2ccccc2c1)N1CCC[C@@H](c2cccc3nccn23)C1 257327909 XDHSIHSBOXIUGO-QGZVFWFLSA-N 356.429 3.902 0 40 FHAB O=C(c1ccccn1)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257336875 YQJXLIJIEUUZRB-MRXNPFEDSA-N 365.408 3.819 0 40 FHAB C[C@H](Sc1n[nH]c(-c2ccc3c(c2)OCCO3)n1)C(=O)c1ccccc1 502444819 JTKIEINLBXNLFQ-LBPRGKRZSA-N 367.430 3.606 0 40 FHAB CC(C)c1c(NC(=O)N[C@@]23C[C@H]2COC3(C)C)cnn1-c1ccccc1 529084312 ZOMSRXBONIGGDH-XOBRGWDASA-N 354.454 3.685 0 40 FHAB Cn1cc([C@H]2CCCCN2C(=O)c2ccc(O[C@H]3CC3(F)F)cc2)cn1 529096949 LHIPWMXWUHMULQ-SJORKVTESA-N 361.392 3.574 0 40 FHAB CCOc1ccccc1Oc1ccccc1C(=O)NCc1cc(C)nn1C 583327810 FYCCFTAWMWUNPC-UHFFFAOYSA-N 365.433 3.850 0 40 FHAB Cc1ccc(CCN[C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)cc1C 585290651 ZNBODVKTPLDOKQ-BHDDXSALSA-N 357.469 3.936 0 40 FHAB C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)NCc1cccnc1 623334799 IJSBTRZTQNHIPE-BBRMVZONSA-N 374.282 3.932 0 40 FHAB COC(=O)c1csc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1 642880771 XYOKEDNRCYKDFF-UHFFFAOYSA-N 358.416 3.606 0 40 FHAB O=C(O)[C@@H]1CCN(C(=O)c2csc(Br)c2)[C@@H]2CCCC[C@@H]12 659194341 LSUBVTRKNHQJGP-QJPTWQEYSA-N 372.284 3.616 0 40 FHAB O=C1Nc2ccccc2[C@@]12CCN(c1nc(C(F)F)nc3ccccc13)C2 681670958 ARDWWXOUOIXZHF-FQEVSTJZSA-N 366.371 3.668 0 40 FHAB O=C(O)[C@@H](CNCc1ccc2c(c1)CCC2)Cc1cc(F)c(F)c(F)c1 1328713769 MMKXDPXWRHUNIY-MRXNPFEDSA-N 363.379 3.626 0 40 FHAB Cc1cc(S(=O)(=O)N[C@@H](c2cccs2)C2CCOCC2)ccc1F 1565523866 ZDAXSWKKTGUJIV-QGZVFWFLSA-N 369.483 3.642 0 40 FHAB CC(=O)Nc1ccc(CN2CCC(COc3ncccc3C)CC2)cc1 1776007970 POFQJPVAFIZLPK-UHFFFAOYSA-N 353.466 3.639 0 40 FHAB COc1ccc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)c(OC)c1 12062668 YIKCBRHTJOLSTP-UHFFFAOYSA-N 359.765 3.716 0 40 FHAB CCn1c(SCC(=O)NCc2ccccc2)nnc1C1CCCCC1 793609 XNRJLTWLDVWAKG-UHFFFAOYSA-N 358.511 3.754 0 40 FHAB Cc1cc([C@H](C)NC(=O)[C@H](CC(C)C)N2CCCCC2=O)c(C)s1 79069439 WUVCUIQVMSZOAD-YOEHRIQHSA-N 350.528 3.969 0 40 FHAB CC(C)(C)c1nnc(C[S@@](=O)c2ncc(-c3ccccc3)n2C2CC2)o1 79105059 SHHRWBOBQLAKKB-SANMLTNESA-N 370.478 3.873 0 40 FHAB Cc1cc(C(=O)OCc2cc(Cl)c3c(c2)OCCO3)c2c(C)noc2n1 22613500 BMONQVJOLJHOJM-UHFFFAOYSA-N 374.780 3.621 0 40 FHAB N=c1c2c(-c3ccc(Cl)cc3)cn(-c3ccc(Cl)cc3)c2ncn1N 3852046 LWJOFHMKBJZENP-UHFFFAOYSA-N 370.243 3.994 0 40 FHAB CCOc1ccc(C(=O)N2CCN=C2SCc2ccccc2F)cc1 4120517 MHULIJLMSXDHEU-UHFFFAOYSA-N 358.438 3.970 0 40 FHAB CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccoc1C 4860377 DHTNJJJNIKJLOB-UHFFFAOYSA-N 356.451 3.906 0 40 FHAB CC(=O)c1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1 4954013 YRTQSHOZFDNTTA-ZHZULCJRSA-N 374.396 3.892 0 40 FHAB O=C(c1ccc(-n2cnnn2)cc1)N(Cc1ccccc1)Cc1ccccc1 12323554 VVRLQTVDYJJFJT-UHFFFAOYSA-N 369.428 3.505 0 40 FHAB COc1ccc(NC(=O)COc2ccccc2C)cc1Br 6925133 FEVVJIRXKGKUQC-UHFFFAOYSA-N 350.212 3.784 0 40 FHAB Cc1cc(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c2c(C)noc2n1 54865297 CKAXJNPJSXTFIH-KRWDZBQOSA-N 363.421 3.843 0 40 FHAB COc1ccc(OC)c(Nc2ncnc3c2cnn3-c2ccc(C)cc2)c1 8582999 HGUAWCPERBDVAU-UHFFFAOYSA-N 361.405 3.885 0 40 FHAB CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(C)C)c1 8747814 XQNJPTLYPRSCIN-UHFFFAOYSA-N 360.479 3.749 0 40 FHAB C[C@H](NC(=O)NCc1cccc(Cn2cncn2)c1)c1ccccc1Cl 43182191 LWSUDRUSTCBYFJ-AWEZNQCLSA-N 369.856 3.540 0 40 FHAB O=C(CC(c1ccccc1)c1ccccc1)N1CCC2(CC1)OCCO2 24994856 VHCZZMKWHCOZDB-UHFFFAOYSA-N 351.446 3.574 0 40 FHAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(NC(=O)C2CC2)cc1 9657062 PFTSRDXWMBKRSK-UHFFFAOYSA-N 364.430 3.806 0 40 FHAB CCOC(=O)CCc1c(C)c2ccc3c(c2oc1=O)CN([C@H](C)CC)CO3 57143280 WJXOPZLJHQYHCP-CYBMUJFWSA-N 373.449 3.548 0 40 FHAB CCCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1 12536088 RKSCVQXAKHVUJL-UHFFFAOYSA-N 353.827 3.792 0 40 FHAB COc1ccc(CN(C)Cc2nc(-c3ccccc3OC)no2)cc1F 26866175 JUIYSJQOQLJKRQ-UHFFFAOYSA-N 357.385 3.525 0 40 FHAB Cc1ccc(C(=O)CSc2nc(O)c3c(C)cc(C)nc3n2)c(C)c1 10013452 IVJCFBSCTCXKFI-UHFFFAOYSA-N 353.447 3.939 0 40 FHAB Cc1nc(C)c(C(=O)N2[C@@H]3CC[C@H](C3)[C@@H]2COc2ccc(F)cc2)s1 100113231 YYWNUSJYMHKMSA-UNEWFSDZSA-N 360.454 3.971 0 40 FHAB CNC(=O)c1cc(Cl)ccc1NC(=O)c1ccccc1C(F)(F)F 58162779 WNNJUWABTWGERZ-UHFFFAOYSA-N 356.731 3.971 0 40 FHAB CCC[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2ON1c1ccccc1 101026553 LTTLSGHQIKASEQ-KSZLIROESA-N 370.836 3.819 0 40 FHAB CC(=O)Nc1cc(F)c(F)cc1NC(=O)CCc1c[nH]c2ccccc12 58279041 SIRGWLMZAXBDJV-UHFFFAOYSA-N 357.360 3.976 0 40 FHAB O=C(N[C@@H](c1cccs1)C1CCCC1)[C@@H]1CCCN(c2cnccn2)C1 48272503 KCNYIRNQEGWYAP-VQIMIIECSA-N 370.522 3.802 0 40 FHAB O=C(/C=C/c1ccc2c(c1)CCO2)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10546964 IFZBKQGYOWNCCT-LNENJAERSA-N 373.456 3.917 0 40 FHAB CSc1nc(C)cc(Oc2ccc(OCCOc3ccccc3)nn2)n1 2362844 KQNRIAQBEFSCRP-UHFFFAOYSA-N 370.434 3.547 0 40 FHAB Cc1ccc([C@@H](c2sc3ncnn3c2O)N2C[C@@H](C)C[C@H](C)C2)cc1 22609272 QSFMLTRNMJEJIR-DZKIICNBSA-N 356.495 3.872 0 40 FHAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1[C@H](C)c1ccccc1 24193036 NPYNHQVAKLMZLV-CYBMUJFWSA-N 357.450 3.684 0 40 FHAB C[C@H]1c2ccsc2CCN1CC(=O)Nc1ccccc1OC(F)F 29194343 RNKDOTAQDUTJLF-NSHDSACASA-N 352.406 3.907 0 40 FHAB C[C@H](Sc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)C(N)=O 3399808 IPCWPQLRIAXBKS-NSHDSACASA-N 358.854 3.554 0 40 FHAB COc1ccc(O[C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)cc1 11711883 IZNVHDSPQXZLJZ-ZDUSSCGKSA-N 356.447 3.731 0 40 FHAB COc1ccccc1Nc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1 2654763 UROYMMCAGIAILL-UHFFFAOYSA-N 353.403 3.893 0 40 FHAB Cc1csc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)n1 2650659 SWVKWZTWISLPIA-QGZVFWFLSA-N 365.458 3.951 0 40 FHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cc1 3324185 BHQKBIPLAJMPCR-UHFFFAOYSA-N 359.369 3.535 0 40 FHAB COc1ccccc1NC(=O)COc1ccc(Br)cc1F 3404395 LBWOHUKWPUNLSU-UHFFFAOYSA-N 354.175 3.614 0 40 FHAB COC(=O)c1ccc(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 3538194 BUETYSRGVWIASX-UHFFFAOYSA-N 364.184 3.576 0 40 FHAB COc1ccc(F)cc1CN1CCN(c2nc3ccccc3s2)CC1 13007789 WFSRRJMPCMCGSS-UHFFFAOYSA-N 357.454 3.766 0 40 FHAB O=C(Nc1ccc2c(c1)OCCO2)c1cc2c(nc3sccn32)s1 8746296 YPQVRQZJINZVAD-UHFFFAOYSA-N 357.416 3.634 0 40 FHAB CCOc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)Nc3nc(N)nn32)cc1 13131837 QULAYSUMBXLMDD-SJORKVTESA-N 353.401 3.544 0 40 FHAB COC[C@@H](C)NC(=O)CSc1nc2ccccc2n1-c1ccc(C)cc1 6032831 RSKIMDYDLPMTPY-OAHLLOKOSA-N 369.490 3.577 0 40 FHAB CN(C)c1nc(Oc2ccccc2)nc(SCCOc2ccccc2)n1 13728941 DCSDMEQZRPNJHI-UHFFFAOYSA-N 368.462 3.901 0 40 FHAB CC(=O)N1CCC(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)CC1 14140930 CVZATCGKKWTULG-UHFFFAOYSA-N 357.479 3.624 0 40 FHAB CS(=O)(=O)c1ccc(-c2csc(NCc3ccc(F)cc3)n2)cc1 14108402 BVILRKSFAJMFEQ-UHFFFAOYSA-N 362.451 3.965 0 40 FHAB C[C@@H]1c2cccn2CCN1CCS(=O)(=O)c1cc(Cl)ccc1Cl 14198936 YRMPVZPXKWNFQT-GFCCVEGCSA-N 373.305 3.645 0 40 FHAB CCC(CC)NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 14231685 CVAWCFHAXMSQPR-HOTGVXAUSA-N 360.498 3.773 0 40 FHAB CN(C(=O)c1ccccc1C(=O)OCC(=O)C(C)(C)C)c1ccccc1 9703215 CMCMDMOFCNVHOH-UHFFFAOYSA-N 353.418 3.735 0 40 FHAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cccc(OC)c2)cc1 20490011 NAXTZBLDUVGJCE-GOSISDBHSA-N 357.406 3.668 0 40 FHAB CCc1nnc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)s1 5509178 GHWNPWZKLISJDL-UHFFFAOYSA-N 357.435 3.743 0 40 FHAB CC(C)c1ccc(NC(=O)COCC(=O)NCCC2=CCCCC2)cc1 4700277 XHQJQBNEXYYPKT-UHFFFAOYSA-N 358.482 3.772 0 40 FHAB CN1CCC(N(C)[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 6936155 BWOUGFHYOSCTRB-FQEVSTJZSA-N 355.457 3.532 0 40 FHAB CCCCOc1ccc(C(=O)OCC(=O)NCc2ccc(CC)cc2)cc1 67197669 GTNUXRNAZPILCB-UHFFFAOYSA-N 369.461 3.901 0 40 FHAB C[C@H](OC(=O)c1csc2c1CCCC2)c1nc2ccccc2c(=O)[nH]1 5901238 UWSMSZGKYAJIDN-NSHDSACASA-N 354.431 3.781 0 40 FHAB CCOC(=O)[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 7016396 CDMPLPWGPGXJHD-LJQANCHMSA-N 366.461 3.714 0 40 FHAB COCCn1ccc2c(NC(=O)c3n[nH]c4c3CCCCC4)cccc21 96223848 UETVLOMKMCCJRL-UHFFFAOYSA-N 352.438 3.532 0 40 FHAB CC(C)c1ccc(NC(=O)CNC(=O)c2ccc(Br)o2)cc1 15509328 BVCRQFYKJRUMFU-UHFFFAOYSA-N 365.227 3.534 0 40 FHAB COCCn1c([C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)nc2ccccc21 7543963 YCEGPYKMCMHANJ-QGZVFWFLSA-N 363.461 3.820 0 40 FHAB COc1ccc2oc(C(=O)Nc3ccc(C(=O)N(C)C)cc3)c(C)c2c1 7595283 UAMYDQCDNYFHJB-UHFFFAOYSA-N 352.390 3.704 0 40 FHAB Cc1cc(C(=O)CSc2nnc(C)n2C2CC2)c(C)n1Cc1ccco1 7617532 PNIRIGVAHNNSSC-UHFFFAOYSA-N 370.478 3.956 0 40 FHAB Cc1cc(C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)c(C)n1C1CC1 16694585 SJBONRVIAOVBAU-LJQANCHMSA-N 352.434 3.617 0 40 FHAB COC(=O)C1=C(C)N(CC2CC2)C(=O)N[C@H]1c1ccccc1C(F)(F)F 71818893 ASKKYMAEABFGDB-HNNXBMFYSA-N 368.355 3.629 0 40 FHAB CCN(Cc1ccc(F)cc1F)C(=O)c1ccc2c(c1)CCN2C(C)=O 95349410 YZKQASUNFVBSRQ-UHFFFAOYSA-N 358.388 3.536 0 40 FHAB CC(C)C[C@H]1CCN(C(=O)c2ccccc2I)C1 72305428 OBAGHAMRCUWURC-GFCCVEGCSA-N 357.235 3.799 0 40 FHAB CC(C)CC1(CNC(=O)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 89821083 NHEKVJMNZBECBL-INIZCTEOSA-N 352.519 3.966 0 40 FHAB CCN(CC)[C@H](CNC(=O)CNC(C)(C)CC(C)(C)C)c1ccco1 89967794 IGGPPMXUYFTDJA-MRXNPFEDSA-N 351.535 3.583 0 40 FHAB CCOc1ccc(/C=C2/SC(=O)N(CCCOC)C2=O)cc1OCC 409242958 XALPSBVTDLTIMV-FOWTUZBSSA-N 365.451 3.557 0 40 FHAB O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2CN(Cc3ccsc3)C[C@H]21 306140209 UNABMRBKHZNBML-IEBWSBKVSA-N 371.483 3.763 0 40 FHAB Cc1cc2occ(CC(=O)OCCOC(=O)c3ccccc3)c2cc1C 32670194 YXSZFBDYOQANHH-UHFFFAOYSA-N 352.386 3.992 0 40 FHAB C[C@@H](CC(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1)n1cccn1 36752648 KWMOITJDDLUWOO-NSHDSACASA-N 361.858 3.569 0 40 FHAB COc1cc(C(=O)N(C)c2nc3ccccc3s2)cc(OC)c1OC 25048330 OKTIPWMXQZMJGC-UHFFFAOYSA-N 358.419 3.599 0 40 FHAB CCc1ncc(CN2CCC[C@@H]2c2n[nH]cc2-c2cccc(OC)c2)cn1 72380397 LRGHODRMRNHIAJ-LJQANCHMSA-N 363.465 3.775 0 40 FHAB CN(C)C(=O)c1ccc(NC(=S)N[C@H]2CCCc3ccccc32)cc1 225462479 YTUOXBWYMAVRQY-SFHVURJKSA-N 353.491 3.752 0 40 FHAB CCCO[C@]1(C(=O)Nc2ccc(OCCOCC)nc2)CCC[C@@H](C)C1 225910849 TURRBXOPBKGZSF-OXQOHEQNSA-N 364.486 3.811 0 40 FHAB O=C(N[C@@H](c1cccnc1)C1CCOCC1)c1ccccc1C(F)(F)F 225618287 NXDUXGFVVLVRSM-QGZVFWFLSA-N 364.367 3.998 0 40 FHAB CCC(CC)NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2)c1 224302458 HDJWEUSVSCTVAO-UHFFFAOYSA-N 374.506 3.739 0 40 FHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)[nH]1 223524074 ZUUYAKOHZVFRSJ-OALUTQOASA-N 363.490 3.594 0 40 FHAB COc1cccc(CN(C)C(=O)CCC(=O)c2cc(C)ccc2C)c1OC 47646487 FNOCHGIXOBNJKW-UHFFFAOYSA-N 369.461 3.942 0 40 FHAB Cc1cnc(C2CCN(C(=O)N[C@@H](C)c3ccc4n[nH]cc4c3)CC2)s1 571072285 OHRIUGZKEGCATK-ZDUSSCGKSA-N 369.494 3.978 0 40 FHAB COC(=O)c1cn(S(=O)(=O)c2ccc3ccccc3c2)c2ccccc12 222596586 VISUBVBEPXECNG-UHFFFAOYSA-N 365.410 3.818 0 40 FHAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CC 224108940 FAZOEERQFCCWNG-OAQYLSRUSA-N 366.505 3.871 0 40 FHAB Cc1ccc(CNC(=O)[C@@H](C)N(Cc2ccccc2)C(=O)C(C)C)cc1 222757234 BELCNKFRXWCVLM-GOSISDBHSA-N 352.478 3.685 0 40 FHAB Cc1cc(N2C[C@@H](C)C[C@H](C)C2)nc(NC(=S)NCc2ccccc2)n1 225929071 NCRUCDMUELCVBF-GJZGRUSLSA-N 369.538 3.754 0 40 FHAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1C 225102217 SHWRQHASJDSMTN-NRFANRHFSA-N 366.505 3.871 0 40 FHAB CCOC(=O)c1cc(NS(=O)(=O)c2ccc(F)c(C)c2)ccc1Cl 225605760 HYHNRNDANAFVOC-UHFFFAOYSA-N 371.817 3.765 0 40 FHAB Cc1ccc(-c2nnc(NS(=O)(=O)Cc3ccccc3C)s2)cc1 223105683 NRRCWWDMBXOHDY-UHFFFAOYSA-N 359.476 3.764 0 40 FHAB COC(=O)c1ccc(C(=O)NCc2cncc(-c3cccs3)c2)cc1 225664192 KYBXZKYFWDTKNI-UHFFFAOYSA-N 352.415 3.527 0 40 FHAB CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC)cc1 222481420 ZFEJMNKTDPMIPK-SFHVURJKSA-N 366.505 3.653 0 40 FHAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1ccccn1 222831256 WIWRVQYVMCXQON-HNNXBMFYSA-N 373.884 3.569 0 40 FHAB Cc1ccc(-c2cn3c(n2)CO[C@@H](CNC(=O)Nc2ccccc2)C3)cc1 96269262 YXULHYIXODIGKS-SFHVURJKSA-N 362.433 3.579 0 40 FHAB biogenic,in-vitro CCc1ccc(NC(=O)C2CCN(C(=O)Cc3ccccc3)CC2)cc1 240688007 AKFLLMKGDLIABI-UHFFFAOYSA-N 350.462 3.669 0 40 FHAB O=C(NCc1cccs1)NC[C@](O)(c1ccsc1)c1cccs1 253400791 LXCRLTWDTBXVOF-INIZCTEOSA-N 364.517 3.606 0 40 FHAB Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCCCN2C(=O)Cc2cccs2)n1 257229452 FYESNLLAKZBPGV-INIZCTEOSA-N 367.478 3.533 0 40 FHAB O=C(NCC1(c2cccc(C(F)(F)F)c2)CCCC1)c1cccc[n+]1[O-] 62511864 MVWYRKXEGXLULZ-UHFFFAOYSA-N 364.367 3.581 0 40 FHAB COC(=O)c1[nH]c(C)cc1NC(=O)c1ccnc(Oc2ccccc2)c1 609519894 WADTZAVWMHRSCQ-UHFFFAOYSA-N 351.362 3.549 0 40 FHAB CC(C)(C)c1ccc(NC(=O)Nc2nc3c(s2)C(=O)NCCC3)cc1 96124415 REHAVQATAKEHNH-UHFFFAOYSA-N 358.467 3.761 0 40 FHAB OCc1cc(-c2ccccc2)nc2cccc(I)c12 685937551 QWHKZDKBODGMKA-UHFFFAOYSA-N 361.182 3.999 0 40 FHAB O=C(NC1CCCCC1)[C@@H]1CN(CC2CC2)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772595622 HWMVPJJBRRORFM-DYXWJJEUSA-N 372.484 3.666 0 40 FHAB COc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)c(C)c1 5556134 OZKXDQQOGYPLRU-UHFFFAOYSA-N 358.463 3.622 0 40 FHAB C[C@@H](OC(=O)c1nc(Cl)ccc1Cl)C(=O)N[C@@H]1CCCC[C@H]1C 11712587 FKHDQJUUJLDAQN-CKYFFXLPSA-N 359.253 3.629 0 40 FHAB CCOC(=O)Cc1csc(NC(=O)c2ccccc2C(F)(F)F)n1 11764724 KYDGKIXVVNHHCK-UHFFFAOYSA-N 358.341 3.520 0 40 FHAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCC(c3cc4cccnc4[nH]3)CC2)n1 12133483 RSRKUQQRGXZQPE-INIZCTEOSA-N 365.481 3.734 0 40 FHAB O=C(C1CCCCC1)N1CCC[C@@H](c2nc(O)cc(-c3ccncc3)n2)C1 13268224 RSQVUGPZYWQIAG-QGZVFWFLSA-N 366.465 3.531 0 40 FHAB CCOc1ccc(C2=N/C(=C\c3cccc(OC)c3)C(=O)O2)cc1OCC 14249147 LPMRTPSNWQQTQT-ATVHPVEESA-N 367.401 3.837 0 40 FHAB COc1ccc(O[C@@H](C)C(=O)NCCSCc2cccc(C)c2)cc1 14398880 HKLCAHILDBKOPT-INIZCTEOSA-N 359.491 3.821 0 40 FHAB CS(=O)(=O)c1ccc(-c2csc(NCCc3ccccc3)n2)cc1 18941240 OIIJRSMTLDZWLP-UHFFFAOYSA-N 358.488 3.868 0 40 FHAB COc1ccc(OC)c([C@@H](O)CN2CCc3c([nH]c4ccccc34)[C@@H]2C)c1 19498291 UNIQDOGKVALDTM-XOBRGWDASA-N 366.461 3.838 0 40 FHAB CN1CCN(CCCN(C)CC2(c3ccc(Cl)cc3Cl)CC2)CC1 19590036 PZRGQEKGTGWKBT-UHFFFAOYSA-N 370.368 3.594 0 40 FHAB Cc1nc2ccc(I)cc2c(=O)n1C1CCCCC1 19596743 NYHWTONNSSIQBS-UHFFFAOYSA-N 368.218 3.815 0 40 FHAB CCOc1ccccc1OS(=O)(=O)c1cc(Br)ccc1C 19681282 KBXMIRFDHMDENI-UHFFFAOYSA-N 371.252 3.924 0 40 FHAB CCN(C)[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C2(CCCCC2)C1 19704924 ZQUXULVJBUAHBK-SFHVURJKSA-N 353.510 3.966 0 40 FHAB Cc1oc2cc(OC(=O)[C@H](N)C(C)C)ccc2c(=O)c1-c1ccc(F)cc1 19790454 ZMHGLSBBKKOSMD-LJQANCHMSA-N 369.392 3.796 0 40 FHAB biogenic O=C(CCc1cccs1)Nc1cccc(I)c1 7397866 MFNKVXVWGFRBRX-UHFFFAOYSA-N 357.216 3.924 0 40 FHAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(Br)cc1Cl 7381925 CYNAWCJTHSNCIX-UHFFFAOYSA-N 365.636 3.508 0 40 FHAB NC(=O)c1oc2ccccc2c1NC(=O)CSc1ccc(Cl)cc1 5192965 GUVKDCTXWXTMCD-UHFFFAOYSA-N 360.822 3.916 0 40 FHAB O=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)Nc1cccc(F)c1 7616021 QIJIZJSLGKYIBQ-UHFFFAOYSA-N 373.387 3.841 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)NCc1ccc([C@@H](O)c2ccsc2)s1 207964938 QBPUUYJMXZXWRI-ACJLOTCBSA-N 373.499 3.975 0 40 FHAB O=C(CCN1CCO[C@H](c2ccc(F)cc2)C1)Nc1ccccc1Cl 40086074 OREPCFDHRSYRHB-SFHVURJKSA-N 362.832 3.881 0 40 FHAB C[C@H](N[C@H](Cc1ccccc1)c1ccccc1)C(=O)NC(=O)NC(C)(C)C 40002632 ZZRCCBMZLYLCCO-QFBILLFUSA-N 367.493 3.573 0 40 FHAB O=C(NCc1ccco1)/C(=C/C=C/c1ccccc1)NC(=O)c1ccco1 100433624 BSMNRFIKTFNOQQ-QGNYZNNNSA-N 362.385 3.516 0 40 FHAB O=c1oc2c3c(ccc2c2c1CCC2)OCN(CCc1cccc(F)c1)C3 20478287 ATQSHOUZFFCZCI-UHFFFAOYSA-N 365.404 3.815 0 40 FHAB CCCCCOc1cc(C)c(C)cc1S(=O)(=O)n1nnc2ccccc21 31903967 YTSLPDLJKSSWMJ-UHFFFAOYSA-N 373.478 3.854 0 40 FHAB CCOc1ccc(-c2nc(NC(=O)COc3ccc(C)c(C)c3)no2)cc1 32624250 NUUCCWGSKZZBKV-UHFFFAOYSA-N 367.405 3.770 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@H](C)c1nc2ccccc2[nH]1 32768749 BZGXZVKOAMIPPB-VLIAUNLRSA-N 374.444 3.704 0 40 FHAB COc1ccc(C2=Nn3c(nnc3-c3ccc(Cl)cc3)SC2)cc1 1036088 JKLQSHZRKZLGND-UHFFFAOYSA-N 356.838 3.965 0 40 FHAB Cc1nn(C)cc1[C@H]1SCC(O)=Nc2c1c(O)nn2C1CCCCC1 79494494 FSNCDTNHUKSYPK-OAHLLOKOSA-N 361.471 3.560 0 40 FHAB COc1cc([C@@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2C)ccc1O 4909321 CEDAKRBEJLEVMY-GOSISDBHSA-N 369.808 3.619 0 40 FHAB CC(C)C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)C)cc2Cl)CC1 806949 HDPQCNHCLMOIID-UHFFFAOYSA-N 365.905 3.629 0 40 FHAB COc1ccc(OC)c(CC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1 6540144 IUGJQPHHQXKFDV-XSXQVXRUSA-N 357.494 3.967 0 40 FHAB O=c1c2oc3ccccc3c2ncn1Cc1cc(Cl)cc2c1OCOC2 7007058 QNYAYPXZSHGWMF-UHFFFAOYSA-N 368.776 3.711 0 40 FHAB COc1ccccc1[C@H](CNC(=O)c1ccc(OC(C)C)cc1)N(C)C 23691902 PBZJIBLCCWOAAX-IBGZPJMESA-N 356.466 3.515 0 40 FHAB biogenic Cc1c(C(=O)NCCCNc2ncccn2)oc2c1ccc1ccccc12 42757459 OLRHNXNLARQEDJ-UHFFFAOYSA-N 360.417 3.916 0 40 FHAB CC(C)(C)NC(=O)c1ccc(NCc2nc(-c3cccs3)no2)cc1 24259324 IMNKHXWJRWLVIV-UHFFFAOYSA-N 356.451 3.939 0 40 FHAB COc1ccc(C2(O)[C@H]3CCC[C@H]2CN(Cc2ccccc2OC)C3)cc1 100766731 LXZHQNNIAJELBU-PMACEKPBSA-N 367.489 3.824 0 40 FHAB CCC(CC)C(=O)c1c[nH]c(C(=O)N2CCN(c3ccccc3)CC2)c1 1403965 SLDYQESYGOANSV-UHFFFAOYSA-N 353.466 3.596 0 40 FHAB C[C@@H](NC(=O)c1ccc(Cl)cc1)[C@@H](c1ccccc1)N1CCOCC1 25329485 OBNKGUWRXYIFFA-BEFAXECRSA-N 358.869 3.532 0 40 FHAB CO[C@@H]1CCC[C@@H](OC(=O)Cc2csc(Cc3ccc(F)cc3)n2)C1 65504679 AMCOLWXCKQRQAL-IAGOWNOFSA-N 363.454 3.916 0 40 FHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)NCc1ccc(-n3cccn3)cc1)C2 107334786 QMAHQYVXYQGUKR-MDKPJZGXSA-N 352.482 3.886 0 40 FHAB CN(Cc1cnn(-c2ccccc2)c1)[C@H](C(=O)N1CCCC1)c1ccccc1 57270801 AAJKLERZBZRRIE-QFIPXVFZSA-N 374.488 3.668 0 40 FHAB CN(Cc1cc(=O)n2ccccc2n1)C(c1ccccc1)c1ccccc1 58032856 HFESPBNWYXZGJF-UHFFFAOYSA-N 355.441 3.916 0 40 FHAB O=C(Nc1ccn(Cc2ccccn2)n1)C1(c2cccc(F)c2)CCC1 58197216 KTYOJZVEMKJREW-UHFFFAOYSA-N 350.397 3.526 0 40 FHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccccc1-n1ccnc1 20044635 JRJOJECQDLNPBR-HXUWFJFHSA-N 363.461 3.963 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccccc1Br 3314048 KZCRUEYLIWEBHZ-LBPRGKRZSA-N 374.234 3.584 0 40 FHAB Cc1nn2c(nc(NC[C@H](O)c3ccccc3)c3ccccc32)c1Cl 48308792 ASHKTLZKVXVDNT-INIZCTEOSA-N 352.825 3.990 0 40 FHAB COc1ccc2cc(C(=O)OCc3c(Cl)nc4ccccn34)[nH]c2c1 48356631 NRWSITJLMAHAAY-UHFFFAOYSA-N 355.781 3.835 0 40 FHAB c1coc(CN2CCO[C@@H](c3cn4c(-c5ccncc5)cccc4n3)C2)c1 306134666 NUZHHGCLPBZRJA-HXUWFJFHSA-N 360.417 3.563 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccc3ncsc3c2)c1 3478864 GUZYJEYCSRQVPK-LBPRGKRZSA-N 368.414 3.683 0 40 FHAB Cc1c(NC(=O)N(C)[C@H](C)c2ccccc2)c(=O)n(-c2ccccc2)n1C 62582108 MUSNDFLMKWNEOK-OAHLLOKOSA-N 364.449 3.709 0 40 FHAB COc1ccccc1-c1nnc(NC(=O)COc2ccc(C)c(C)c2)s1 9088400 UFWIJYVYOHVYPY-UHFFFAOYSA-N 369.446 3.848 0 40 FHAB Cc1cnc(NC(=O)CSc2nnc(-c3ccccc3Cl)o2)s1 409170718 XFARYAQNLPECOB-UHFFFAOYSA-N 366.855 3.886 0 40 FHAB COc1ccccc1N1C[C@@](O)(c2ccc(C)cc2C)[N+]2=C1CCCC2 13785514 KZEQYRNCSHAAKS-JOCHJYFZSA-N 351.470 3.572 0 40 FHAB CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2F)cc1 6240617 WUEFEQDMBYHSJH-UHFFFAOYSA-N 359.426 3.691 0 40 FHAB COc1cc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc(OC)c1C 5269303 MXABURPJLOFBEF-OAHLLOKOSA-N 365.433 3.689 0 40 FHAB O=C(NCc1ccc(-n2ccnc2)cc1)C1=Cc2cc(Cl)ccc2OC1 65548057 AXZAYVUWAJIZJA-UHFFFAOYSA-N 365.820 3.618 0 40 FHAB C[C@H](c1nc(=O)c2ccccc2[nH]1)N1CCC(C(=O)c2ccccc2)CC1 14110447 UGPNIHJTMPAAGK-OAHLLOKOSA-N 361.445 3.579 0 40 FHAB CC(=O)Nc1cccc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c1 14187989 RFJCJLGVXSMUST-FQEVSTJZSA-N 368.433 3.543 0 40 FHAB O=C(Cc1ccc(Br)cc1)Nc1ccccc1N1CCCC1=O 14202401 CGHOYHTZWYNCCR-UHFFFAOYSA-N 373.250 3.757 0 40 FHAB C[C@H]1C(=O)N(CN(Cc2ccccc2F)C2CC2)C(=O)N1c1ccccc1 14304518 YEQTUPIZYFNOLC-HNNXBMFYSA-N 367.424 3.605 0 40 FHAB Cc1ccc([C@@H](C)CCN2CCc3nc(-c4ccncc4)nc(O)c3C2)o1 72339829 HJGUWYQNISKYNZ-AWEZNQCLSA-N 364.449 3.698 0 40 FHAB O=C(C1CCOCC1)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 96001335 LSGLNPCFJKMVBW-KRWDZBQOSA-N 355.438 3.607 0 40 FHAB CON(C)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 5957140 IKMMFWBCLMHPOD-UHFFFAOYSA-N 367.249 3.543 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 7055669 GEQPLLLKKHJMMX-UHFFFAOYSA-N 373.430 3.732 0 40 FHAB O=C([C@@H](Sc1nnc2n1CCCCC2)c1ccccc1)N1CCCCC1 7081623 NCZSHNJADIPXOI-SFHVURJKSA-N 370.522 3.850 0 40 FHAB CCOC(=O)c1cnc2nc(SCc3cccc(Cl)c3)nn2c1C 9489175 KGGXBQKDTSHIEJ-UHFFFAOYSA-N 362.842 3.555 0 40 FHAB COc1cccc(O[C@H](C)C(=O)NCCSCc2ccc(C)cc2)c1 22511648 LPZUOSXPFIHYOS-MRXNPFEDSA-N 359.491 3.821 0 40 FHAB Cc1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)N2CCCC2)cc1 27793212 JLTGRBMBTMIVMK-HXUWFJFHSA-N 372.896 3.981 0 40 FHAB C[C@@H](NC(=O)[C@@H](C)N(C)CCOc1cccc(Cl)c1)c1ccccc1 16421807 RAHNBVHFJRJVJM-HZPDHXFCSA-N 360.885 3.917 0 40 FHAB Cc1cc(N2CCO[C@H](c3ccc(F)cc3)C2)nc(-c2ccncc2)n1 68874870 ZSOVQHXEJSWGPD-SFHVURJKSA-N 350.397 3.564 0 40 FHAB CC(C)(COC(=O)c1ccc(F)c(F)c1)NC(=O)c1ccc(F)c(F)c1 96319368 RYBQSKAOOMZMFF-UHFFFAOYSA-N 369.314 3.608 0 40 FHAB CCOc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1OC 8025160 AUGGNKIHSDABBT-UHFFFAOYSA-N 368.477 3.673 0 40 FHAB NC(=O)c1ccc(COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 16751333 SOGTYGWOAOCBKC-UHFFFAOYSA-N 357.837 3.994 0 40 FHAB O=C(NCC1(N2CCCCC2)CCCCC1)c1ccc2nccnc2c1 8327101 MRMMATRQKQIPFX-UHFFFAOYSA-N 352.482 3.548 0 40 FHAB C[C@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1nc2ccccc2[nH]1 84651576 JTOXSAISUNKCSI-SNVBAGLBSA-N 370.352 3.996 0 40 FHAB Cc1ccc(N(CC(=O)N2CCCCC2)C(=O)c2ccc(C)nc2C)cc1 95957276 LMAAKYNMHOXVKA-UHFFFAOYSA-N 365.477 3.666 0 40 FHAB Fc1cccc(CN2CC[C@@]3(C2)CN(Cc2ccccn2)c2cccnc23)c1 306128578 HFGSMJNXFIVKMJ-HSZRJFAPSA-N 374.463 3.780 0 40 FHAB O=C([C@@H]1C[C@]12CCc1ccccc12)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 553040345 ADQRARZFRDWHCL-WHULDATMSA-N 373.496 3.922 0 40 FHAB COc1ccccc1OCCC(=O)OCc1cc(Cl)c2c(c1)OCO2 21976953 HRDJGBCTXYNJCO-UHFFFAOYSA-N 364.781 3.590 0 40 FHAB CN1CC=C(CNC(=O)c2ccc(-c3cccc4cccnc34)cc2)CC1 552411809 VAQQDOVKCHHNAP-UHFFFAOYSA-N 357.457 3.894 0 40 FHAB CCCN(C(=O)c1ccc(OC)cc1)c1nc(C)c(C(=O)OCC)s1 36612142 ZNZWYMSXACKVIW-UHFFFAOYSA-N 362.451 3.694 0 40 FHAB Nc1cc(-c2c[nH]nc2[C@@H]2CCCCN2CCOc2ccccc2)ccn1 72357478 ABUAFNMQCNPAGQ-IBGZPJMESA-N 363.465 3.660 0 40 FHAB CC[C@@H](Oc1ccccc1)C(=O)NCc1ccccc1CN1CCCC1 30556139 KPLIUQZULFTERG-OAQYLSRUSA-N 352.478 3.756 0 40 FHAB Cc1ccccc1COc1ccc(-c2nnc(N)o2)cc1Br 216816519 XAQAUXMQATWZPL-UHFFFAOYSA-N 360.211 3.969 0 40 FHAB CN(CC(=O)N(C)Cc1cccs1)Cc1ccc(Br)s1 46171435 HBXYTTDVCHNFFC-UHFFFAOYSA-N 373.341 3.663 0 40 FHAB COC(=O)c1cccc(NC(=S)N[C@H](C)COc2ccccc2C)c1 225636523 KCAFLFWXABYJPW-CQSZACIVSA-N 358.463 3.536 0 40 FHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 225467371 UQELVLKCKGCQLC-MRXNPFEDSA-N 372.896 3.824 0 40 FHAB CCCCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46078917 YVYJIWBZACDADZ-UHFFFAOYSA-N 354.425 3.949 0 40 FHAB Cc1cc2c(cc1-c1ccnc(N3CCOCC3)n1)NC(C)(C)C[C@@H]2C 575473056 AYLVTTSGSIRZAG-HNNXBMFYSA-N 352.482 3.986 0 40 FHAB Cc1cc(N2CCC(C)CC2)nc(NC(=S)NCc2ccc(F)cc2)n1 225948985 VQCHNJNJFMKKFW-UHFFFAOYSA-N 373.501 3.647 0 40 FHAB Cc1ccccc1CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC(C)C 224674512 YBZGCZFWMRLGQW-QGZVFWFLSA-N 370.468 3.619 0 40 FHAB CC(C)(Oc1nn(-c2ccccc2)cc1Cl)C(=O)Nc1ccccn1 227153763 BADUQXDSCYGFHA-UHFFFAOYSA-N 356.813 3.717 0 40 FHAB Cc1ccccc1O[C@@H](C)C(=O)NCc1ccc(CN2CCCC2)cc1 44872822 IAXFSOQZQRXFCJ-SFHVURJKSA-N 352.478 3.675 0 40 FHAB Cc1nccn1-c1ccc(CNC(=S)Nc2c(F)cccc2F)cc1 225457746 XZDYRKBGZDBBPM-UHFFFAOYSA-N 358.417 3.946 0 40 FHAB COC(=O)c1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)CC3)cc1 226862049 BRVPLKUZBHMSDI-UHFFFAOYSA-N 367.426 3.526 0 40 FHAB CCOCc1cc(C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCC 224697897 HKZHESVZNZPKBN-UHFFFAOYSA-N 356.422 3.833 0 40 FHAB O=C(OC1CN(c2nc3ccc(F)cc3s2)C1)c1c(F)cccc1F 77100995 BLRYCMMANNPKKE-UHFFFAOYSA-N 364.348 3.759 0 40 FHAB COc1ccc(C(=O)N2CCOCC2)cc1COc1ccccc1C(C)C 224233358 AOJOUBAGCHXKCJ-UHFFFAOYSA-N 369.461 3.870 0 40 FHAB CC[C@](C)(OC)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1 225602868 ZWCFTZKRMIGANJ-NRFANRHFSA-N 362.514 3.941 0 40 FHAB CCOc1ccc(CNCc2nc(C)n(-c3ccc(Cl)cc3)n2)cc1 98212042 IGBZZTKFEWCHBN-UHFFFAOYSA-N 356.857 3.918 0 40 FHAB Cc1ccc(CN2CCC3(CCN(C(=O)c4cccnc4)CC3)C2)s1 96046665 ZUXZHDDSPIOABM-UHFFFAOYSA-N 355.507 3.580 0 40 FHAB COc1ccc(C)cc1N1C[C@@H](c2nc(CC3CCCC3)no2)CC1=O 585085776 XUPMSUOVBGPARN-HNNXBMFYSA-N 355.438 3.640 0 40 FHAB COc1ccccc1[C@@H](C)N1CCN(C(=O)C2(C(F)F)CCCC2)CC1 585084067 SJBQRITYVVINPR-OAHLLOKOSA-N 366.452 3.726 0 40 FHAB CN(Cc1c(C(=O)O)sc2cccc(F)c12)C[C@@H]1CCCC[C@H]1O 1598506191 YLHVBWVSXYVKRD-SMDDNHRTSA-N 351.443 3.722 0 40 FHAB Cc1c[nH]c(-c2nccnc2[C@H]2CCCN(Cc3cc(F)ccc3F)C2)n1 257247410 IYYBHKTYEPGWQY-AWEZNQCLSA-N 369.419 3.833 0 40 FHAB Cc1cc(-c2nc(C)c[nH]2)nc([C@@H]2CCCCN2Cc2cncs2)n1 257234590 GUGODNIOSLXOER-INIZCTEOSA-N 354.483 3.667 0 40 FHAB Cc1nc(Nc2nccs2)cc([C@H]2CCCCN2CC2CCOCC2)n1 257334932 YHXKEEYKPIULHQ-QGZVFWFLSA-N 373.526 3.939 0 40 FHAB Cc1[nH]c2ccccc2c1C1CCN(C(=O)NCc2ccn(C)c2)CC1 531355638 OJDFKBMFHFAWFF-UHFFFAOYSA-N 350.466 3.904 0 40 FHAB O=C(O)c1ccc(-c2nc(CN3CCO[C@H]4CCCC[C@@H]43)cs2)cc1 652396967 HDKUORNMDVUZSM-IRXDYDNUSA-N 358.463 3.652 0 40 FHAB O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)N[C@H]1[C@@H]2c3ccc(F)cc3C[C@H]21 664574734 DFZOCETYETZLKH-QUMCUXDJSA-N 366.436 3.541 0 40 FHAB Cn1cc(-c2cncc(C(=O)N3[C@H]4C=C(c5ccccc5)C[C@H]3CC4)c2)cn1 669679765 LXDZARDFGGQAKA-FGZHOGPDSA-N 370.456 3.943 0 40 FHAB CC(C)c1nc(N(C)C)nc(N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)n1 680378839 OOUSGBITXLESSE-DLBZAZTESA-N 373.476 3.557 0 40 FHAB C[C@H]1C[C@H]1c1ccc(CCC(=O)NCc2ccc(C(=O)NC3CC3)cc2)o1 57403485 SWGDVCOKQWNYJP-IFXJQAMLSA-N 366.461 3.544 0 40 FHAB CCOC1CCN(C(=O)N[C@@H](C)c2ccc(OC(C)C)c(OC)c2)CC1 50111212 YWFXJRPIVOTSJA-HNNXBMFYSA-N 364.486 3.754 0 40 FHAB Cc1cccc(NCc2noc(-c3ccsc3)n2)c1C(=O)N1CCCC1 75108500 GTKMWQXKPZHMNW-UHFFFAOYSA-N 368.462 3.955 0 40 FHAB COc1cccc2cc(C(=O)N(CC(F)(F)F)C3CCOCC3)oc12 77157807 LEZUJZZEEAJYPB-UHFFFAOYSA-N 357.328 3.625 0 40 FHAB CC1CCN([C@H](CNC(=O)c2ncoc2-c2cccs2)C(C)C)CC1 78562076 BOBLRSNWNNTNSW-OAHLLOKOSA-N 361.511 3.889 0 40 FHAB CCCCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)NC1=S 2146123 JYJBFUDEGPHJLB-PTNGSMBKSA-N 370.430 3.503 0 40 FHAB CCCc1cc(C(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)n(C)n1 12188219 ZRGNCJYDBGVAEP-GOSISDBHSA-N 362.477 3.941 0 40 FHAB Cc1cc2c(cc1CN1CCC[C@@](O)(c3ccc(F)cc3)CC1)OCO2 12188840 XSUDUSKACQCLMF-NRFANRHFSA-N 357.425 3.737 0 40 FHAB Cc1ccc(-n2cc(CN3CCC(O)(c4ccc(C)cc4)CC3)cn2)cc1 12344549 LHGXLHWVLLDKFA-UHFFFAOYSA-N 361.489 3.973 0 40 FHAB O=C(O)c1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1 12773858 BZPYLQXQEDORKU-UHFFFAOYSA-N 353.399 3.853 0 40 FHAB CC(C)COc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 12936704 HMMIMNMBZIKEAL-UHFFFAOYSA-N 352.434 3.866 0 40 FHAB C[C@H]1CCC[C@H](C)N1C(=O)c1cccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)n1 17073841 KGZIUBMTJHBSHZ-QAETUUGQSA-N 357.498 3.888 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccco2)CC1 17744911 JVOSLUZNJBZAHD-UHFFFAOYSA-N 354.237 3.936 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)Oc2cccc(F)c2)c(OC)c1 19078713 CVWCEIXFVUOADF-LIRRHRJNSA-N 373.424 3.974 0 40 FHAB Cc1cccc(-c2cc(CNCCc3ccc(F)cc3)c3nnnn3c2)c1 19235292 HCBIQQVUDSDVCX-UHFFFAOYSA-N 361.424 3.571 0 40 FHAB NC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccccc2)C1 19371768 JKBFODWEVDSQMQ-XMMPIXPASA-N 371.484 3.669 0 40 FHAB C[C@@H]1CCN(c2cc(C(=O)Nc3nc4cccc(Cl)c4n3C)ccn2)C1 681006687 OUOGDIYJWYULTF-GFCCVEGCSA-N 369.856 3.720 0 40 FHAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2cccc(Cl)c2)C1=O 5791488 RZWNSSNYIROYMD-KRWDZBQOSA-N 350.752 3.585 0 40 FHAB Fc1ccc2nc(N3C[C@@H]4CN(c5ncccc5F)C[C@@H]4C3)sc2c1 2087047078 KOBNVXIAXKRZQB-TXEJJXNPSA-N 358.417 3.542 0 40 FHAB O=c1oc2ccc(Br)cc2cc1-c1nnc(-c2ccncc2)o1 753993 RDPZLRIRWJBGNJ-UHFFFAOYSA-N 370.162 3.668 0 40 FHAB COc1ccc(-c2cc(CNC(=O)c3c(F)cccc3F)no2)cc1OC 12638648 HUCJYFCKBDIIMR-UHFFFAOYSA-N 374.343 3.567 0 40 FHAB CN(C)Cc1noc2ccc(NC(=O)NCc3ccc(Cl)cc3)cc12 1775969928 SCJLZMYWIQNVFI-UHFFFAOYSA-N 358.829 3.865 0 40 FHAB O=C(NCC[C@@H](O)c1cccc(Cl)c1)c1cccc(Br)c1 225609303 KNOFECNKCZMTNK-OAHLLOKOSA-N 368.658 3.956 0 40 FHAB CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 940621 FIDHXCNUXOKRAG-UHFFFAOYSA-N 366.442 3.929 0 40 FHAB C[C@@H]1Nc2ncnn2[C@@H](c2cccs2)[C@@H]1C(=O)Nc1ccc(Cl)cc1 11694930 JHIMLQOTZNDHAE-VQISRLSMSA-N 373.869 3.651 0 40 FHAB Cc1ccnc(Nc2nc(CC(=O)NCc3c(F)cccc3F)cs2)c1 49029642 LJWSDCLOVGLCHY-UHFFFAOYSA-N 374.416 3.727 0 40 FHAB Cc1ccc(NC(=O)c2cncc(Br)c2)cc1N1CCCC1=O 49505386 LPIBYQBLIUQQSG-UHFFFAOYSA-N 374.238 3.532 0 40 FHAB CCOC(=O)N1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)ccc1OC 6463592 AIWZZJMVRYIGMV-KPFFTGBYSA-N 363.454 3.528 0 40 FHAB biogenic COC(=O)[C@@]1(C(F)(F)F)[C@H]2C=C[C@@H](C2)N1c1nc2ccccc2s1 101325903 KTAFDVDXSBFXOK-AMJWSMQMSA-N 354.353 3.535 0 40 FHAB O=C1C[C@H](C(=O)Nc2cccc(Br)c2)C2(CCCCC2)O1 20745256 JZXBAPTVQVKPLZ-CYBMUJFWSA-N 352.228 3.654 0 40 FHAB Cc1c(C)n(C2CCCCC2)c2ncn(CCCn3ccnc3)c(=N)c12 101472825 MPJHPEMLTIDWSX-UHFFFAOYSA-N 352.486 3.726 0 40 FHAB O=C(OCCOc1cccc(Cl)c1)c1ccc(N2CCCC2=O)cc1 32945325 KYUAEPRUZSZATL-UHFFFAOYSA-N 359.809 3.703 0 40 FHAB O=C1CCCN1CCCNc1ncnc2cc(-c3ccc(F)cc3)sc12 33012195 IOGFUNZSPJAYQI-UHFFFAOYSA-N 370.453 3.922 0 40 FHAB Cn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccco1 779328 IOOVZHQJAJUQNJ-UHFFFAOYSA-N 364.430 3.959 0 40 FHAB COc1ccc([C@H]2SCC(=O)N2Nc2ncc(Cl)cc2Cl)cc1 1299830 TUJNOWORNNXEAJ-OAHLLOKOSA-N 370.261 3.998 0 40 FHAB CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccc3c(c2)OCO3)N1C(C)(C)C 2254898 FCQGWLQZXJZBMS-FQEVSTJZSA-N 365.433 3.937 0 40 FHAB O=C(CSc1nnc(-c2ccco2)o1)Nc1ccc(OC(F)F)cc1 2809310 XVONPHHWGQGMBZ-UHFFFAOYSA-N 367.333 3.662 0 40 FHAB CCOC(=O)Cc1csc(NC(=O)Nc2cccc(C(F)(F)F)c2)n1 3135970 ONYZHGLESLSWOT-UHFFFAOYSA-N 373.356 3.912 0 40 FHAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 3216451 ZTNDSERYCXZWOP-UHFFFAOYSA-N 362.311 3.547 0 40 FHAB O=C(COC(=O)c1cccs1)Nc1nc2c(F)c(F)c(F)cc2s1 3299302 OLALBJCHJXDUPR-UHFFFAOYSA-N 372.349 3.571 0 40 FHAB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OP(=O)(O)O 4027588 BBWXLCKRYRQQPL-FPSMNIFISA-N 352.367 3.726 0 40 FHAB in-vitro CCOc1ccccc1C(=O)Nc1nnc(-c2ccccc2OC)s1 4087708 GJCATLZXYNUSFA-UHFFFAOYSA-N 355.419 3.865 0 40 FHAB COc1cc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc(OC)c1OC 4173343 YGDHXJIUOOGWBP-VXGBXAGGSA-N 361.360 3.563 0 40 FHAB Cc1ccc(-n2ncc3c(NCc4ccc5c(c4)OCO5)ncnc32)c(C)c1 4326874 DZEMMVXVXNZHMY-UHFFFAOYSA-N 373.416 3.773 0 40 FHAB Cc1cccc(NC(=S)N2CCC(NC(=O)C3CCCCC3)CC2)c1 4857496 QDNSKRAWGFDVOP-UHFFFAOYSA-N 359.539 3.853 0 40 FHAB Cc1ccccc1NC(=O)NC1(C(=O)NCc2ccco2)CCCCC1 4981866 FKYFLOIYJWEHEZ-UHFFFAOYSA-N 355.438 3.729 0 40 FHAB Cc1ccc(CN(C)C(=O)CSc2nnc(-c3ccccc3)o2)cc1 5021189 PGMWZJSEZQXYKY-UHFFFAOYSA-N 353.447 3.796 0 40 FHAB CCCOc1nc2ccccc2nc1N1CCN(c2ccccc2F)CC1 5021710 NCNWSCJDYSEOSB-UHFFFAOYSA-N 366.440 3.884 0 40 FHAB Cc1cccc(NC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)c1C 5704083 WTLZPGFVIIVABI-UHFFFAOYSA-N 354.494 3.965 0 40 FHAB c1nc(Oc2ccc(-n3cnnn3)cc2)c2c3c(sc2n1)CCCCC3 6507390 OVLMBAXSZQDHTP-UHFFFAOYSA-N 364.434 3.728 0 40 FHAB CC[C@H](C)NC[C@H](O)COC(c1ccc(OC)cc1)c1ccc(OC)cc1 6553076 CIBXAFWEOIRJJM-LPHOPBHVSA-N 373.493 3.559 0 40 FHAB CCCOc1ccc(N2C[C@H](C(=O)Nc3cccc(C)c3)CC2=O)cc1 6880944 SEPAOSKXLZXJCH-MRXNPFEDSA-N 352.434 3.775 0 40 FHAB O=C(NCc1ccccc1)c1ccc(OCc2cn3ccccc3n2)cc1 7318745 JQJHSNPWSSIVHL-UHFFFAOYSA-N 357.413 3.843 0 40 FHAB CCOc1cc(/C=C/C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OC 7657261 ANXDJXHHXIFEAA-WUXMJOGZSA-N 355.390 3.532 0 40 FHAB Cc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cccc(C)c3)n2)cc1 7780872 NELSXTATZDHTST-INIZCTEOSA-N 365.433 3.779 0 40 FHAB CCn1c(S[C@@H]2CCOC2=O)nc2sc(-c3ccccc3)cc2c1=O 7786342 CZQMUGHSEPTMCN-CYBMUJFWSA-N 372.471 3.553 0 40 FHAB C[C@H](NC(=O)CSc1ccc(F)c(F)c1)c1ccc2c(c1)OCCO2 7806960 XTIGKLLLWMXSEN-NSHDSACASA-N 365.401 3.706 0 40 FHAB CCCCCOc1cc(S(=O)(=O)NCc2ccco2)ccc1Cl 8714774 UWVGEDBPICXGQU-UHFFFAOYSA-N 357.859 3.981 0 40 FHAB CCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1ccccc1C 8716804 KQCNUKKSZLAMDC-UHFFFAOYSA-N 350.418 3.788 0 40 FHAB COc1cccc2sc(NC(=O)C[C@H](NC(C)=O)c3ccccc3)nc12 8945937 WSJCFKAXBDQMOE-AWEZNQCLSA-N 369.446 3.511 0 40 FHAB CN(Cc1ccccc1)C(=O)Cc1csc(NC(=O)c2cccs2)n1 9479786 DKFABQPETXUZLQ-UHFFFAOYSA-N 371.487 3.658 0 40 FHAB O=C(Nc1nc(-c2ccccn2)cs1)c1cnn(Cc2ccccc2)c1 9657943 AHQQNSFBYQXYTC-UHFFFAOYSA-N 361.430 3.702 0 40 FHAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C)cc2)n2nc(C)nc2N1 10434265 LZYJYWIDSOBJPS-LJQANCHMSA-N 359.433 3.823 0 40 FHAB COc1ccc(CC(=O)NC[C@H](C)c2nc3ccccc3n2C(F)F)cc1 10639235 IMMRBKBECYZTGT-ZDUSSCGKSA-N 373.403 3.902 0 40 FHAB O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1ccccc1Br 10899161 JWYCPEDTOHOKGU-UHFFFAOYSA-N 373.250 3.728 0 40 FHAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)O[C@@H]1CCCCNC1=O 11477103 LJOQOZZIXORRLA-CYBMUJFWSA-N 364.854 3.597 0 40 FHAB CSCC[C@H](NC(=O)Nc1cccc(C)c1)c1nnc2ccccn12 12230508 HBZTXCWDSUKWNZ-HNNXBMFYSA-N 355.467 3.654 0 40 FHAB Cc1oc(-c2cccs2)nc1CN(C)S(=O)(=O)c1ccc(F)cc1 12750735 PJHHXFIZRSTRNA-UHFFFAOYSA-N 366.439 3.671 0 40 FHAB COC(=O)c1cccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)c1 12764153 AVAQMEPQHRLVTH-UHFFFAOYSA-N 352.390 3.785 0 40 FHAB CCN(C(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1nc2ccccc2s1 12870691 JHEVGWAYOOEHLR-UHFFFAOYSA-N 373.522 3.934 0 40 FHAB COc1ccc(CN(Cc2ccc3ncccc3c2)C[C@H](C)O)cc1OC 13991764 FVULGZYTNNQZRB-INIZCTEOSA-N 366.461 3.635 0 40 FHAB Cc1ccc(Nc2nnc(SCC(=O)N3CCCC3)s2)cc1Cl 14140089 CRCTVYPQRSGGMM-UHFFFAOYSA-N 368.915 3.958 0 40 FHAB COc1ccc(Cl)cc1NC(=O)c1cccc(CN2CCCC2=O)c1 14197801 OZBFELVEYMQUFC-UHFFFAOYSA-N 358.825 3.723 0 40 FHAB CC(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2F)c1 14233499 NKDGJCITGGBCJC-UHFFFAOYSA-N 351.175 3.799 0 40 FHAB C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1 14239041 BUXVEZVSVBCDQH-NSHDSACASA-N 351.328 3.854 0 40 FHAB C[C@@H](SCc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 20238756 GDPLPJCGEPYRSL-GOSISDBHSA-N 354.519 3.653 0 40 FHAB CC(C)Oc1ccc(CNS(=O)(=O)Cc2ccccc2Cl)cc1 20495027 JABHZCYQLIRLGT-UHFFFAOYSA-N 353.871 3.747 0 40 FHAB CCN(CC(=O)NC1CCCCC1)Cc1ccc(Br)s1 20814771 VZWAAYQVLFXDBN-UHFFFAOYSA-N 359.333 3.781 0 40 FHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cncn2-c2ccc(F)cc2)cc1 21509626 MTBXWYAVFPIXRP-CQSZACIVSA-N 352.365 3.748 0 40 FHAB COc1ccc(C2(CNC(=O)COc3ccc(F)cc3)CCCC2)cc1 21691246 JXGHDJQEQGTZGS-UHFFFAOYSA-N 357.425 3.841 0 40 FHAB COc1cc(C(C)=O)ccc1OS(=O)(=O)c1ccc2c(c1)CCCC2 25652299 YMDXCCDVLNNILK-UHFFFAOYSA-N 360.431 3.544 0 40 FHAB NC(=O)c1cccc(C(=O)Nc2cccc(COc3cccc(F)c3)c2)c1 26012212 KTHXQFYNYSEXQN-UHFFFAOYSA-N 364.376 3.756 0 40 FHAB Cc1cc(N(C)Cc2c(F)cccc2Cl)n2nc(C(F)(F)F)nc2n1 26692822 SGSNPOUPFRTAST-UHFFFAOYSA-N 373.741 3.880 0 40 FHAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 28043331 ZUXWNXGIANPKHW-KRWDZBQOSA-N 351.855 3.874 0 40 FHAB Cc1nc(NC(=O)c2ccccc2O)sc1-c1nccn1C(F)F 29194460 UOFDGCLFWACBOC-UHFFFAOYSA-N 350.350 3.668 0 40 FHAB O=C(NCCC(=O)N(Cc1ccco1)Cc1ccco1)Nc1ccccc1 30471705 SWPDRNWNFFMKAV-UHFFFAOYSA-N 367.405 3.613 0 40 FHAB CN(Cc1ccccc1N1CCCC1)S(=O)(=O)/C=C/c1ccccc1 31071866 AAJMUKJIPPSHFG-DTQAZKPQSA-N 356.491 3.719 0 40 FHAB COC(=O)c1cc(NS(=O)(=O)c2cc(Cl)ccc2C)ccc1Cl 31668467 SBVGVXJDSWZQFX-UHFFFAOYSA-N 374.245 3.889 0 40 FHAB Cc1cc2occ(CC(=O)NCCC(=O)N3CCCC3)c2cc1C(C)C 32716746 HSMSDYOVBXFFNO-UHFFFAOYSA-N 356.466 3.536 0 40 FHAB Cc1cccc(N2CCN(C(=O)NCCc3cccc(Cl)c3)CC2)c1 32863375 NIHMFGQWTCWZEA-UHFFFAOYSA-N 357.885 3.723 0 40 FHAB COc1cc(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)ccn1 32915831 SZVPHZNDJKCAGG-UHFFFAOYSA-N 366.446 3.901 0 40 FHAB Cc1cccc(C)c1OCCNC(=O)Cc1csc(-c2ccco2)n1 32931341 YYMAUQXXUIGHST-UHFFFAOYSA-N 356.447 3.758 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1F 33028096 DJSIDCMJVMTDAZ-BUBBNXEVSA-N 358.457 3.794 0 40 FHAB COc1ccc(NC(=O)CSCc2cc(=O)c3cccc(F)c3[nH]2)cc1 33063846 YELWOPYKCUQLMD-UHFFFAOYSA-N 372.421 3.548 0 40 FHAB COc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c(OC)c1 38834653 UKLKQRKCHAPPIL-INIZCTEOSA-N 372.440 3.694 0 40 FHAB CC(C)c1nc(CC(=O)NCc2ccc(Br)s2)cs1 43030817 HHOIUKFOVACDPZ-UHFFFAOYSA-N 359.314 3.949 0 40 FHAB COc1cc(CN(C)C(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1O 43192761 GKVXURHZJZOTRU-UHFFFAOYSA-N 370.327 3.963 0 40 FHAB CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(Br)cc1 44352153 MXIVAIUFLMJPND-UHFFFAOYSA-N 358.232 3.803 0 40 FHAB CC1(C)CC(NC(=O)N2CCC(OCc3ccccc3)CC2)CC(C)(C)N1 45545578 SFYDSRXUNKSJRA-UHFFFAOYSA-N 373.541 3.686 0 40 FHAB O=C(CCSc1ccccc1)NC1CCN(C(=O)C2CCCCC2)CC1 46587234 CVNXSGYUOBSYNK-UHFFFAOYSA-N 374.550 3.856 0 40 FHAB C[C@H]1CCCCN1CCCCNC(=O)c1cc(Br)ccc1F 46989067 RTCYJBZEQVQUAN-ZDUSSCGKSA-N 371.294 3.973 0 40 FHAB Cc1ccc(NC(=O)NC2CCN(Cc3ccncc3)CC2)cc1Cl 47324735 IHMJIKROZKHOQG-UHFFFAOYSA-N 358.873 3.830 0 40 FHAB CCOc1cc2c(cc1[C@@H]1SCC(O)=Nc3c1cnn3C)O[C@H](C)C2 49547702 WFJOOSKTMKDHBI-QGHHPUGFSA-N 359.451 3.566 0 40 FHAB CC(C)(C)n1ncc2c1N=C(O)CS[C@H]2c1ccc2c(c1)OCCO2 49550584 QAILMOLUGORKIM-INIZCTEOSA-N 359.451 3.834 0 40 FHAB Cc1sc(CCN2CCOC2=O)nc1-c1ccc(NC(=O)C(C)C)cc1 55049624 YXAMYRCGWCVZMZ-UHFFFAOYSA-N 373.478 3.708 0 40 FHAB COCCN[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 57406008 MAGXHZFDCIHPCN-MRXNPFEDSA-N 352.356 3.621 0 40 FHAB Cc1ccc([C@H](C)N(C)C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)s1 58393214 VOFANOUNNREAJI-NSHDSACASA-N 371.911 3.947 0 40 FHAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NO[C@@H]3CCCCO3)c12 58432406 ADPFLZUBLHULIS-MRXNPFEDSA-N 374.485 3.806 0 40 FHAB CC(=O)N[C@@H](CC(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3)c1ccc(Cl)cc1 65813800 JOCCGCLVWLIYBQ-HECOIAHBSA-N 374.912 3.944 0 40 FHAB O=C(Nc1cc(N2CCOC2=O)ccc1F)N[C@@H]1C[C@H]1c1cccc(F)c1 67679607 AVDQSRHHNDOQKY-GOEBONIOSA-N 373.359 3.599 0 40 FHAB Cn1cc([C@@H]2C[C@H]2C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cn1 69160275 HUKYQSLNMIHNKY-HDMKZQKVSA-N 369.515 3.821 0 40 FHAB C[C@H](NC(=O)C(=O)Nc1cnc2ccccc2c1)c1ccccc1Cl 70727542 RMVYIIAOZPRXLP-LBPRGKRZSA-N 353.809 3.704 0 40 FHAB CCCc1ccc(S(=O)(=O)NC(=O)CCCc2ccc(C)cc2)cc1 71946871 ILMCYWKHHKHCGA-UHFFFAOYSA-N 359.491 3.775 0 40 FHAB CCC[C@@H](CCO)CNC(=O)c1csc(-c2ccccc2Cl)n1 72311569 LIVHWVKCIGUYCE-LBPRGKRZSA-N 352.887 3.992 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc2ccccc2n1C)CC3 72324527 SMCCFYBNIAKVBU-UHFFFAOYSA-N 359.429 3.867 0 40 FHAB biogenic Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccc(Cl)cc2)on1 72396980 VCJWTIGPUFJMQV-INIZCTEOSA-N 370.840 3.689 0 40 FHAB O=c1ccccn1CCCNc1nc(-c2ccccc2)nc2ccccc12 84564836 WEOVCMOPYXNVBV-UHFFFAOYSA-N 356.429 3.961 0 40 FHAB Cc1ccc(C)c(C(=O)c2ccccc2CN2CCC3(CC2)OCCO3)c1 85651571 UUAZMBBGZWSASN-UHFFFAOYSA-N 365.473 3.873 0 40 FHAB CSc1ccccc1C(=O)N1CC(c2nc(-c3ccsc3)no2)C1 86071041 MXCJMFXUXGYXNA-UHFFFAOYSA-N 357.460 3.760 0 40 FHAB O=C(N[C@H]1CCN(CC2CCCC2)C1)c1cnoc1-c1ccc(Cl)cc1 89793798 DKGCGXBFFBGLHR-KRWDZBQOSA-N 373.884 3.989 0 40 FHAB CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1ccc(-n2cccn2)cc1 95463170 FVFQEIWXNQPWLQ-AUUYWEPGSA-N 353.397 3.517 0 40 FHAB CCC[C@H](N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)c1ccc(Cl)cc1 95463509 WVTLVYLGWZLITL-FGTMMUONSA-N 371.930 3.507 0 40 FHAB CCc1ccccc1N1C(=O)N[C@@H]2C[C@]1(C)Oc1ccc(C(=O)OC)cc12 101085204 LPGBGQFNYOUILP-IERDGZPVSA-N 366.417 3.805 0 40 FHAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(-c2ccccc2)cc1 103016131 KDYGYMVWNIMWAG-BGYRXZFFSA-N 374.440 3.633 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CC[C@@H](C2CCN(C)CC2)C1 107538181 RFASCRIVTJIPDV-NVXWUHKLSA-N 363.933 3.639 0 40 FHAB Cc1cc(C)cc(NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)c1 113956250 USGFDVHRRLUHMQ-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB Cc1cc2ncc(NC(=O)c3c(-c4ccccc4Cl)noc3C)cn2n1 206738585 UAMODWMFHOVPQD-UHFFFAOYSA-N 367.796 3.907 0 40 FHAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NCC(C)C 216442140 YCTSMJDYVMOQQI-MRXNPFEDSA-N 354.450 3.787 0 40 FHAB Brc1ccc(OC[C@H]2CN(Cc3ccccc3)CCO2)cc1 217499527 YLRRTWMAQYUBLA-GOSISDBHSA-N 362.267 3.729 0 40 FHAB Cc1ccc(CCC(=O)N[C@H](c2cccnc2)C2CCOCC2)cc1F 225619953 FHURAKWAIRVYIG-NRFANRHFSA-N 356.441 3.746 0 40 FHAB O=C(NC1(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1)c1cccs1 225929781 WKINOEJTLNADHR-UHFFFAOYSA-N 370.352 3.548 0 40 FHAB C[C@@H]1CCCN(c2cc(Cl)nc(NC(=S)NC3CCCCC3)n2)C1 226009462 WPNMEOMNRINKLL-GFCCVEGCSA-N 367.950 3.985 0 40 FHAB COc1ccc(C(=O)Nc2cc(C)c(O)c(Br)c2)cc1OC 226242752 LRJTWEKFWUSYQE-UHFFFAOYSA-N 366.211 3.733 0 40 FHAB C[C@@H]1CCCCN1c1ccc(N)cc1NC(=O)C(Cl)(Cl)Cl 226253720 SQHSMSRNABIPCV-SECBINFHSA-N 350.677 3.956 0 40 FHAB COC[C@@H]1CN(Cc2ccco2)CC12CCN(Cc1ccccc1F)CC2 247841222 LAFYASKUKSDDGU-IBGZPJMESA-N 372.484 3.779 0 40 FHAB O=C(Cc1cn2ccsc2n1)N1CCC(c2c[nH]c3ccccc23)CC1 247881376 VTCGDDNOODMGEZ-UHFFFAOYSA-N 364.474 3.826 0 40 FHAB Cc1c[nH]c(-c2cc([C@H]3CCCCN3Cc3cscn3)nc(C)n2)n1 257300469 RUKNXCKDYVVQOE-QGZVFWFLSA-N 354.483 3.667 0 40 FHAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OC)c(OC)c1 408561621 UFPRCJOOSLEIRT-UHFFFAOYSA-N 371.842 3.557 0 40 FHAB O=C(O)C[C@@H]1CCCN(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)C1 557177778 USTKVGRKMXGCNY-HNNXBMFYSA-N 366.417 3.636 0 40 FHAB Cc1nn(CCNC(=O)c2c(F)cccc2Cl)c(C)c1-c1ccco1 575614770 GUCOUOKGALSMAE-UHFFFAOYSA-N 361.804 3.982 0 40 FHAB O=C(NCC[C@H](c1ccccc1)C(F)(F)F)c1snc(O)c1Cl 578986326 QVQZACOHLKIGEQ-SECBINFHSA-N 364.776 3.968 0 40 FHAB Cc1c[nH]nc1C[C@H]1CCCN(C(=O)c2c(C)n(C)c3ccccc23)C1 585182113 FEXSVIAEXCZEMN-MRXNPFEDSA-N 350.466 3.613 0 40 FHAB COC(=O)c1cccc(NC(=O)Nc2ccc(C(F)(F)F)nc2C)c1 602993615 MOQUCZTWQICTQY-UHFFFAOYSA-N 353.300 3.839 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]2NC(=O)OCc2ccccc2)C1 606242744 AYCRMAQBNMOQAX-JXFKEZNVSA-N 360.454 3.702 0 40 FHAB CC(=O)N1CCCCCCN(C)C(=O)c2ccccc2OC[C@@H]1CC(C)C 643584074 LAIYKDUPUNWCEH-IBGZPJMESA-N 374.525 3.975 0 40 FHAB CCc1c(NC(=O)[C@H]2CNCc3ccccc32)cnn1-c1ccccc1C 646533567 PMCHZUUZQGVARX-SFHVURJKSA-N 360.461 3.569 0 40 FHAB Cc1cccc(-c2cccc(C(=O)N3CCC[C@@H](C(=O)N(C)C)C3)c2)c1 1178691205 UVXOITRTKPWILV-HXUWFJFHSA-N 350.462 3.602 0 40 FHAB CC[C@@H](NC(=O)N1CCc2cc(Cl)nnc2C1)c1cc(F)ccc1F 1261454128 ZDPOOWOYIUKQRG-CQSZACIVSA-N 366.799 3.627 0 40 FHAB CCn1cc(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)cn1 1615159087 SSQMAQBNPVGVAY-NRFANRHFSA-N 370.472 3.706 0 40 FHAB C[C@H]1CC[C@H](C(=O)N2CCC3(CC2)C[C@@H](OCc2ccccn2)CO3)CC1 2055841032 NVUNWUBVVVIDSE-QWFCFKBJSA-N 372.509 3.575 0 40 FHAB O=C(Nc1nncs1)N[C@@H](COc1ccccc1F)c1ccccc1 47135717 DVMTYIQJQPVJHX-AWEZNQCLSA-N 358.398 3.619 0 40 FHAB CCn1c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nnc1-c1ccc(O)cc1 897424 BTCOIHYCNISTQE-KBPBESRZSA-N 374.510 3.552 0 40 FHAB CCc1nncn1CCNc1ncnc2scc(-c3ccccc3)c12 78560940 SXAUFJFIZIHOBV-UHFFFAOYSA-N 350.451 3.624 0 40 FHAB O=C(CCSc1nnc(-c2ccncc2)o1)Nc1cccc(Cl)c1 645136 BDRBDHGEIAICEJ-UHFFFAOYSA-N 360.826 3.906 0 40 FHAB Cc1cnc2c(S(=O)(=O)Nc3ccc4nc(S)oc4c3)cccc2c1 79111597 XDDIEJBLGZNCHD-UHFFFAOYSA-N 371.443 3.774 0 40 FHAB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccco1 796992 LEDIRZBBSJSOML-UHFFFAOYSA-N 356.451 3.906 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2C)c1C 779135 ITIPEJHVIBNSBU-UHFFFAOYSA-N 352.463 3.830 0 40 FHAB CCC(CC)NC(=O)CSc1nnc(NCc2ccccc2)s1 3580141 ZMJLWGJJSNUARG-UHFFFAOYSA-N 350.513 3.547 0 40 FHAB CC(=O)Nc1ccc2nc(NC(=O)COc3ccc(C)cc3C)sc2c1 4503736 PBHHGHKTXPFMFF-UHFFFAOYSA-N 369.446 3.889 0 40 FHAB CC(=O)Nc1ccc(-c2csc(NC(=O)/C=C/c3nccs3)n2)cc1 47410929 XNVHPVJPUZJFQK-VOTSOKGWSA-N 370.459 3.877 0 40 FHAB CC(C)(C)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 6214369 NAAXOXIBSPVOPA-KRWDZBQOSA-N 350.462 3.971 0 40 FHAB CCN(CC)CCNC(=O)c1ccc(NC(=O)CCC2CCCC2)cc1 6462767 CDNYOZMPRWRUEN-UHFFFAOYSA-N 359.514 3.667 0 40 FHAB CCCNC(=O)CN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 6879660 YTYNHXVJDJEKLH-SDQBBNPISA-N 373.261 3.556 0 40 FHAB COc1cccc(OC)c1C(=O)Nc1ccc(Br)cc1F 995108 QDYVEVWZPBFLBY-UHFFFAOYSA-N 354.175 3.858 0 40 FHAB COc1ccc(CN(C)Cn2ncnc2-c2ccccc2Cl)cc1F 54430414 BJVFJNYXEMHVKC-UHFFFAOYSA-N 360.820 3.836 0 40 FHAB O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2ccc(Cl)s2)CC1 23791803 OTUIHCMKWTUOEL-UHFFFAOYSA-N 359.882 3.841 0 40 FHAB Cc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O 8570750 WCJIYZBYTBVLFR-CXUHLZMHSA-N 370.405 3.809 0 40 FHAB COc1ccccc1NC(=O)c1cc(OC)c(Br)c(OC)c1 9112128 MHJZRBZUNZGPLL-UHFFFAOYSA-N 366.211 3.727 0 40 FHAB Cn1ccnc1[C@H](NC(=O)c1ccc(OC(F)F)cc1)c1ccccc1 12506500 LYMCZRIKNRXIDN-MRXNPFEDSA-N 357.360 3.541 0 40 FHAB CC(C)Cc1noc(CNc2ccc(S(=O)(=O)C3CCCC3)cc2)n1 55855183 SGWVIIWJBSBARZ-UHFFFAOYSA-N 363.483 3.597 0 40 FHAB Cc1cc(C)c(NC(=O)CN2CCN(c3ccccc3)CC2)c(Cl)c1 57386152 PAUALPHBKIRIAW-UHFFFAOYSA-N 357.885 3.718 0 40 FHAB Cc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccccc1Br 1981912 JCPIMQJUPRXYQO-GFCCVEGCSA-N 362.223 3.942 0 40 FHAB CC(=O)Nc1cc(C(=O)N(Cc2ccco2)CC(F)(F)F)ccc1F 58304867 QRDIIWKBRXAXOX-UHFFFAOYSA-N 358.291 3.582 0 40 FHAB C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 11073048 SCUWNJGMCHAKOR-MRXNPFEDSA-N 373.456 3.602 0 40 FHAB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2c(C)nn(C)c2C)cc1 12751035 ZDCCCKOFOFEZRB-LJQANCHMSA-N 370.497 3.601 0 40 FHAB Cc1noc(C)c1CCC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 11250503 OSQXYCDLDZTILD-UHFFFAOYSA-N 361.829 3.643 0 40 FHAB COc1ccc(NCC(=O)N2CCC(Cc3ccccc3)CC2)c(OC)c1 3321375 ASXAKIWGANMBNG-UHFFFAOYSA-N 368.477 3.597 0 40 FHAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)CCCc2cccs2)c1 3356296 GYQDJCWKYMGOEN-UHFFFAOYSA-N 357.884 3.766 0 40 FHAB COc1ccc(-c2ccc3c(n2)sc2c(O)cc(=O)[nH]c23)cc1OC 11363915 FGCLRGRUZVJHCE-UHFFFAOYSA-N 354.387 3.528 0 40 FHAB Cc1ccc(NCC(=O)Nc2ccc(N3CCCC3=O)cc2)c(Cl)c1 11549421 NSMSDNNSTNWUOL-UHFFFAOYSA-N 357.841 3.826 0 40 FHAB COc1ccc([C@H](CNC(=O)c2cc3ccccc3cc2O)N(C)C)cc1 2657933 KDBFGZAURIWHGR-FQEVSTJZSA-N 364.445 3.587 0 40 FHAB CC(=O)N[C@@H](CC(=O)Nc1ccc2nc(C)sc2c1)c1ccccc1 2640258 BHTQQUFQMSSDMZ-KRWDZBQOSA-N 353.447 3.811 0 40 FHAB CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1cccs1 3597718 CGZWIQWHIKYSSQ-STQMWFEESA-N 364.540 3.814 0 40 FHAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)C(Cl)(Cl)Cl 20136969 ZSGRLLGMAUAGML-UHFFFAOYSA-N 364.612 3.756 0 40 FHAB CCOc1cc(C(=O)Nc2nc3c(s2)CCC3)ccc1OC(F)F 13022755 LYDPVGATGDECOS-UHFFFAOYSA-N 354.378 3.884 0 40 FHAB CC[C@H](C(=O)Nc1cc(C)on1)N1CCC(c2nc3ccccc3o2)CC1 8920072 GJTQXPXZMPOTMW-MRXNPFEDSA-N 368.437 3.721 0 40 FHAB O=C(CSc1ccc2c(c1)OCCCO2)N1CCC(c2ccccc2)=N1 5365929 CORIBWGJPALJEE-UHFFFAOYSA-N 368.458 3.577 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)CCc2c[nH]c3ccccc23)c1 14185853 WNRLLNGIPYHCDT-CQSZACIVSA-N 352.434 3.995 0 40 FHAB C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)NCc1ccco1 6559810 LEZSOVPIMPZIHE-LLVKDONJSA-N 360.464 3.672 0 40 FHAB Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCCN1C(=O)CC1CCCC1 96002581 VONBLXZJIHJPFD-OAHLLOKOSA-N 373.419 3.542 0 40 FHAB C[C@H](NC(=O)COC(=O)c1cc2ccccc2[nH]1)c1ccccc1Cl 5532674 YLLRVZQCBNBPRA-LBPRGKRZSA-N 356.809 3.856 0 40 FHAB CCCn1c(SCc2cc(=O)oc3cc(C)c(C(C)C)cc23)n[nH]c1=O 6888291 IAVYQEOTZHLSDE-UHFFFAOYSA-N 373.478 3.812 0 40 FHAB CC(C)c1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 5849226 SKWZMFCUFYNHMF-UHFFFAOYSA-N 372.490 3.867 0 40 FHAB O=C(COC(=O)c1cncc(Br)c1)c1ccc2c(c1)CCCC2 6916453 PHQQWELABZHLPR-UHFFFAOYSA-N 374.234 3.763 0 40 FHAB O=C(NCc1ccc(CN2CCCC2)cc1)c1cc(-c2ccccc2)[nH]n1 7117901 PYHZQICMANNJFS-UHFFFAOYSA-N 360.461 3.603 0 40 FHAB Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C)o3)N(C)C)no2)cc1 15860401 XVFDRHXPSPVEKM-KRWDZBQOSA-N 353.422 3.584 0 40 FHAB CCOc1ccc2oc(C(=O)O[C@H](C)C(=O)N3CCC(C)CC3)c(C)c2c1 7780402 CZYQYQZOKFTVIX-OAHLLOKOSA-N 373.449 3.944 0 40 FHAB COC(=O)C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1 8734953 PRKSVGRJKPMTHU-SFHVURJKSA-N 370.836 3.784 0 40 FHAB CCCN(CC(=O)Nc1ccccc1OC)C(=O)N1[C@H](C)CCC[C@H]1C 92320147 LNJWCLHJGMYYRA-HZPDHXFCSA-N 361.486 3.729 0 40 FHAB O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(N2CCCC2=O)c1 9657922 IEIGXQATUUMCRM-UHFFFAOYSA-N 364.430 3.584 0 40 FHAB CCOc1cc2c(cc1NC(=O)c1ccc3c(n1)CCCC3)O[C@@H](C)C2 95432704 SKRICCRPRRQDMN-ZDUSSCGKSA-N 352.434 3.935 0 40 FHAB CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C(F)F)c2)c1 95958484 IPSFXRPKSCVXBB-UHFFFAOYSA-N 359.781 3.933 0 40 FHAB CCc1ccc(CN(C(=O)CC2CC2)[C@@H](C)C(=O)NC2CCCC2)cc1 67197403 UVVADBDHLLXPRP-INIZCTEOSA-N 356.510 3.825 0 40 FHAB Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2nc3ccccc3o2)cs1 511131605 PPVKOOPDASBOQM-HOCLYGCPSA-N 374.485 3.637 0 40 FHAB CCOC(=O)N1N=C2CC[C@H](C(C)(C)CC)C[C@@H]2[C@@]1(O)C(F)(F)F 409342632 GVWXPHVSTHJFDU-ZIBATOQPSA-N 350.381 3.918 0 40 FHAB CCOC(=O)N1CCC(NC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)CC1 36394892 QVNFWVXDRSKGDP-UHFFFAOYSA-N 372.509 3.753 0 40 FHAB Fc1ccc(CN2CCC[C@@H](c3nnc(-c4ccccn4)o3)C2)cc1F 72390043 WGOSBQHAZUUDME-CQSZACIVSA-N 356.376 3.789 0 40 FHAB O=C(Cc1cccnc1)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 72362368 PLXFPYDCKZUGQU-GOSISDBHSA-N 374.444 3.613 0 40 FHAB Cc1nc2ccc(NC(=O)[C@@]3(C)Oc4ccccc4N=C3O)cc2s1 36354921 DOKVPKUKPGRBNR-GOSISDBHSA-N 353.403 3.983 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 33028704 VEEKSZGZZUZPKY-DNVCBOLYSA-N 372.490 3.796 0 40 FHAB C[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 32818759 CRQBDOACRBOBMA-LLVKDONJSA-N 371.462 3.944 0 40 FHAB COc1ccc2cc(C(=O)N[C@H](C)c3ccccc3)sc(=O)c2c1OC 1565524533 KCUPBIWPLYFGLB-GFCCVEGCSA-N 369.442 3.770 0 40 FHAB COCc1c(C(=O)N2CCc3cc(C(=O)OC)ccc32)oc2ccccc12 25181040 FLDZBNZOBSMXAT-UHFFFAOYSA-N 365.385 3.569 0 40 FHAB O=C1CCCc2cc(NC(=O)N3CCC(n4cc(Cl)cn4)CC3)ccc21 568597322 POMGHVQYAOCAEK-UHFFFAOYSA-N 372.856 3.925 0 40 FHAB COc1ccc(Cl)cc1NC(=O)N1CCC(Cn2ccnc2C)CC1 85436373 XMEGZCKHPLSASH-UHFFFAOYSA-N 362.861 3.798 0 40 FHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc(C)cc1 222762809 CIBXQAJKBRJOIU-SFHVURJKSA-N 355.434 3.801 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 223226345 ZOZWSYIHVMRSBF-FQEVSTJZSA-N 370.468 3.538 0 40 FHAB CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(F)cc1 220664475 LOBRVQBMMDOPCO-HZPDHXFCSA-N 351.418 3.729 0 40 FHAB CCOc1cccc(NS(=O)(=O)c2cc3c(cc2OC)CCCC3)c1 223497709 RLAUJJMKUSDISV-UHFFFAOYSA-N 361.463 3.774 0 40 FHAB COc1cccc(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)c1 42646605 CRORYDXUYGYAJB-UHFFFAOYSA-N 374.440 3.582 0 40 FHAB Fc1ccc(-c2cnc3n2CCNC32CCN(C3CCCC3)CC2)cc1 96145057 ABMREVHCTVLLNH-UHFFFAOYSA-N 354.473 3.526 0 40 FHAB Cc1cc(C(=O)N2CCC[C@H](c3ccc(-c4c(C)noc4C)cn3)C2)on1 257314491 UXFVXSGUGKEDMV-INIZCTEOSA-N 366.421 3.670 0 40 FHAB CCn1c([C@@H](CC(C)C)NC(=O)[C@H]2CC[C@H](OC)CC2)nc2cccnc21 257226384 FKLBHNDLOFBERH-JFIYKMOQSA-N 372.513 3.860 0 40 FHAB CN(C(=O)C1(c2cccc(OC(F)(F)F)c2)CCC1)c1nncs1 653747081 UTOSOJDDLOAUDG-UHFFFAOYSA-N 357.357 3.521 0 40 FHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(C)[C@H]1CCO[C@@H]1c1cccnc1 671952129 HVSSUFOBORZDQO-XJESJRCUSA-N 374.525 3.847 0 40 FHAB NC(=O)c1ccccc1CCC(=O)N1Cc2ccccc2-c2ccccc21 684206769 JFCUFEXUFCJDHR-UHFFFAOYSA-N 356.425 3.932 0 40 FHAB Cc1ccc(CN2CCC3(CC2)OCC[C@@H]3CCOCc2ccncc2)o1 585104665 KRJMOUWYUGDRAH-FQEVSTJZSA-N 370.493 3.961 0 40 FHAB O=C(N[C@@H]1c2ccccc2[C@@H]2CN(Cc3ccccc3)C[C@H]12)c1ccncc1 585109818 WXKXLPRNJJJWIU-RJGXRXQPSA-N 369.468 3.782 0 40 FHAB CN(C)Cc1ccccc1CNC(=O)Nc1nnc(C2CCCCC2)s1 43602332 OBGMPPLDWNCSTN-UHFFFAOYSA-N 373.526 3.969 0 40 FHAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)N1CCCCCCC1 43823970 JTAWUBAENMPCAD-UHFFFAOYSA-N 374.510 3.931 0 40 FHAB O=C1CCCc2cc(NC(=O)N[C@H]3CCc4ccc(F)cc43)ccc2N1 106946252 FTBYUBVFFYOPGE-SFHVURJKSA-N 353.397 3.910 0 40 FHAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)CN2CCCCC2)N1c1ccc(F)cc1 1615159171 NYHCNYIOPRSBJA-PMACEKPBSA-N 373.516 3.660 0 40 FHAB Cc1ccc(N[C@@H]2CC(=O)N(c3ccccc3Br)C2=O)cc1 5740408 IXGJHQOZAFOQKQ-CQSZACIVSA-N 359.223 3.502 0 40 FHAB Cn1c(N2CCC(C(=O)N[C@@H]3CCc4ccccc43)CC2)nc2ccccc21 12116345 CKDAVFPOXTWTAE-LJQANCHMSA-N 374.488 3.593 0 40 FHAB CCNC(=O)C1(Cc2ccccc2-c2cc(F)ccc2OC)CCOCC1 12231529 MGUBQMJVLVKIHC-UHFFFAOYSA-N 371.452 3.977 0 40 FHAB COc1cccc(NC(=O)N2CCC[C@@H](C(=O)N[C@H]3CCCC[C@@H]3C)C2)c1 12471739 OASMZMFZFUKDCS-FCEWJHQRSA-N 373.497 3.634 0 40 FHAB CSCC[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12 12892756 BEHGQDMWYRZMOR-AWEZNQCLSA-N 360.870 3.607 0 40 FHAB Cc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccc(C)c(F)c3)no2)cc1 15674334 BMIBWFRRQPEUEB-MJGOQNOKSA-N 367.424 3.800 0 40 FHAB biogenic,in-vitro O=C(Oc1cc(F)cc(F)c1)c1ccc(I)cc1 16158209 YLSCQJIENBZBAS-UHFFFAOYSA-N 360.097 3.789 0 40 FHAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=S)c1ccc2c(c1)OCCO2 16768530 LPZNQTKGAILQQW-UHFFFAOYSA-N 372.377 3.666 0 40 FHAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)C[C@@H](C)n2cccn2)n1 19240148 ZLSQLKTVPGAXED-UKRRQHHQSA-N 360.508 3.761 0 40 FHAB CCCn1ncc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccccc2OC)C3)c1C 19525925 HSCNONCKOXJPDS-QIDMFYOTSA-N 369.509 3.625 0 40 FHAB Cc1sc2c(C3CCN(C(=O)c4ccncc4)CC3)nc(C)n2c1C 19561814 ZESFRNUKIKRDQW-UHFFFAOYSA-N 354.479 3.736 0 40 FHAB CCc1nccn1[C@@H](C)C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 19666326 JCTLNKAMLNEGKQ-LBPRGKRZSA-N 368.462 3.704 0 40 FHAB c1cc(CN2CCO[C@H](c3ccc(-c4cc[nH]n4)cn3)C2)c2cccnc2c1 19693652 MWYMLEDDKNLBPY-QFIPXVFZSA-N 371.444 3.593 0 40 FHAB Cc1ccc(NC(=O)CCc2c(C)[nH]n(-c3ccc(F)cc3)c2=O)c(C)c1 16202929 MJZLOOLHRUCQFP-UHFFFAOYSA-N 367.424 3.801 0 40 FHAB CC1(C)C[C@@H]2CN(C(=O)c3ccncc3F)CC[C@@H]2N1c1ccc(F)cc1 2037988694 DXPLNWAYLPMZSX-KUHUBIRLSA-N 371.431 3.879 0 40 FHAB CCc1ccc(NC(=O)CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 4315299 ZMUKPRMNGMTNNZ-KRWDZBQOSA-N 362.477 3.943 0 40 FHAB O=C(NCc1nnc(SCc2ccc(Cl)cc2)o1)c1ccccc1 5107337 XIHAXRCMJYTHEU-UHFFFAOYSA-N 359.838 3.945 0 40 FHAB O=C(CSc1ccc(-c2ccc(F)cc2)nn1)NCCc1ccccc1 5108028 OOOPCNQFNULQJA-UHFFFAOYSA-N 367.449 3.734 0 40 FHAB COc1ccc2nc(-n3nc(C)cc3NC(=O)c3ccco3)sc2c1 16851076 IIMRTALWJCAMQZ-UHFFFAOYSA-N 354.391 3.644 0 40 FHAB CCOc1ccc(C(=O)NCCc2ccc3c(c2)CCCN3CC)cc1 22732615 PXOIDJSAZTZDAD-UHFFFAOYSA-N 352.478 3.830 0 40 FHAB O=C(NCc1cncc(-c2ccsc2)c1)c1ccc2nsnc2c1 206943665 AOGZURXICRXKMC-UHFFFAOYSA-N 352.444 3.745 0 40 FHAB O=C(OCc1ccccn1)c1cn(-c2cccc(F)c2)c(=O)c2ccccc12 21360086 YBAMCGIEJDDKEH-UHFFFAOYSA-N 374.371 3.882 0 40 FHAB CCc1nc2sc([C@H](c3ccccc3Cl)N3CCCC3)c(O)n2n1 22852931 MISOVKCWFAPAHD-AWEZNQCLSA-N 362.886 3.897 0 40 FHAB Nc1ccc(S[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2=O)cc1 22866430 IFCRBFXLKPMJKR-AWEZNQCLSA-N 367.257 4.000 0 40 FHAB O=C(CSc1ccccc1C(=O)O)Nc1ccc(C(F)(F)F)cn1 215710824 XVYRSSQAPCLNRT-UHFFFAOYSA-N 356.325 3.529 0 40 FHAB COc1ccc(Cl)cc1CC(=O)NCc1cc(-c2ccccc2)no1 32927966 RUNIEIVVNWWZLR-UHFFFAOYSA-N 356.809 3.863 0 40 FHAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)[C@H](C)Oc1ccccc1 32912108 KZPACOVOGXFUFK-SFHVURJKSA-N 363.461 3.697 0 40 FHAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cnn2cccnc12 32908837 VLHYMDDYRUYYLE-UHFFFAOYSA-N 355.810 3.759 0 40 FHAB O=C(c1cc2ccccc2cc1O)N1CCN(Cc2cccs2)CC1 21929647 QQECKJXKQOEVKC-UHFFFAOYSA-N 352.459 3.565 0 40 FHAB CN(Cc1ccc2c(c1)OCO2)C(=O)CCCc1c[nH]c2ccccc12 21932550 CKKWUQHAMOHPGD-UHFFFAOYSA-N 350.418 3.878 0 40 FHAB Cc1ccc(C(=O)C[C@]2(O)C(=O)Nc3c(Cl)cc(Cl)cc32)cc1 1613877 SFGFTBIJLJZYHG-QGZVFWFLSA-N 350.201 3.715 0 40 FHAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1 2627535 HOYCYKQATJHQBP-UHFFFAOYSA-N 356.241 3.649 0 40 FHAB CCOc1cc(-c2n[nH]c(=S)n2C[C@H]2CCCO2)ccc1OC(F)F 2791887 AZKPLNCNULNGHT-LLVKDONJSA-N 371.409 3.787 0 40 FHAB CC(=O)N1CCN(C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)CC1 3226646 UXHNYVRRBKHKLB-UHFFFAOYSA-N 373.456 3.515 0 40 FHAB O=C(COC(=O)Cc1ccc(Cl)cc1)Nc1ccc(Cl)cc1F 3231713 OUJIRIAXWNRGBA-UHFFFAOYSA-N 356.180 3.857 0 40 FHAB CCc1cc(OCC(=O)NCc2ccc(OC)c(OC)c2)ccc1Cl 3416464 PZFBGWSTPGVMTO-UHFFFAOYSA-N 363.841 3.615 0 40 FHAB CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc2ncsc2c1 3479116 IOYUSWSMHZGUCG-UHFFFAOYSA-N 368.458 3.890 0 40 FHAB O=C(COC(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1F 3510830 MKYUPMMSKVMSGF-UHFFFAOYSA-N 370.149 3.523 0 40 FHAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccccc1Cl 3525331 JQXHTDUECWBENI-UHFFFAOYSA-N 372.833 3.641 0 40 FHAB CCn1c(S[C@H](C)C(=O)Nc2nccs2)nnc1-c1ccc(C)cc1 4814611 MBXKZYCYCWIBSC-GFCCVEGCSA-N 373.507 3.849 0 40 FHAB CCOC(=O)c1ccc(-n2c(C)nc3sc4c(c3c2=O)CCCC4)cc1 5461792 MPXSEHUGVPLYFT-UHFFFAOYSA-N 368.458 3.811 0 40 FHAB Cc1cc(C)[n+](-c2ccc3c(c2)S(=O)(=O)c2ccccc2O3)c(C)c1 5538113 JOFLDSGYQCNVRF-UHFFFAOYSA-N 352.435 3.827 0 40 FHAB CC(C)(CNC(=O)CCc1ccccc1)CNC(=O)CCc1ccccc1 5904893 GGSMVWUEZPIRJH-UHFFFAOYSA-N 366.505 3.511 0 40 FHAB O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1 6942545 VPEDZGKYTQEDHD-UHFFFAOYSA-N 356.809 3.936 0 40 FHAB O[C@H](COCc1ccc2c(c1)OCO2)CSc1ccc2ccccc2n1 7032006 SJGYLPXIDNRMEZ-MRXNPFEDSA-N 369.442 3.633 0 40 FHAB FC(F)(F)c1ccccc1CNn1c(-c2ccncc2)n[nH]c1=S 7602026 YYJLSQVHGBOEEY-UHFFFAOYSA-N 351.357 3.765 0 40 FHAB O=C(NCc1ccccc1)c1cccc(OCc2ccc3c(c2)OCO3)c1 8121425 XMAWZVNBHQJFTH-UHFFFAOYSA-N 361.397 3.924 0 40 FHAB Cc1cc(C)cc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2)c1 8412875 DOHSHKDMWUUVQC-UHFFFAOYSA-N 368.433 3.594 0 40 FHAB COC1CCN(C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)CC1 9114096 DLJGLSKFFMKTQX-UHFFFAOYSA-N 361.445 3.790 0 40 FHAB COc1ccc(C)cc1CN(C)C(=O)c1ccc(NC(=O)C2CC2)cc1 9918604 MPTCHERJXBRVDR-UHFFFAOYSA-N 352.434 3.624 0 40 FHAB COc1cccc2sc(NC(=O)c3cc(C)nc4onc(C)c34)nc12 10030365 GAGISTZHSFZOQV-UHFFFAOYSA-N 354.391 3.710 0 40 FHAB CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3sccc3c2)cc1 10253112 UFLCFCOZUKMOCD-UHFFFAOYSA-N 359.472 3.876 0 40 FHAB CCOC(=O)c1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1 10860449 DULMWCDGWUFVKM-UHFFFAOYSA-N 367.323 3.900 0 40 FHAB CN(Cc1nccn1C(F)F)Cn1nc(-c2ccccc2)oc1=S 12520708 CVQHLPICTPFLDC-UHFFFAOYSA-N 351.382 3.554 0 40 FHAB CCOc1ccc2nc(SCC(=O)N3CCc4sccc4C3)[nH]c2c1 12531931 WFEPNQJKWCMCKA-UHFFFAOYSA-N 373.503 3.700 0 40 FHAB Cc1cc(CN2CCC(c3noc(-c4ccncc4)n3)CC2)cc(C)c1O 12668948 ACPFQTJJIIBVJA-UHFFFAOYSA-N 364.449 3.834 0 40 FHAB Cc1nc(/C=C/C(=O)Oc2cccc(I)c2)cs1 13004192 FAFAGSVSZYPCPW-AATRIKPKSA-N 371.199 3.675 0 40 FHAB COc1ccc2c(ccn2CCC(=O)/N=c2/[nH]c3ccccc3s2)c1 13725385 UFQQQFCFCGMZCZ-UHFFFAOYSA-N 351.431 3.710 0 40 FHAB CC(C)n1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1ccco1 13956302 SPHSXKBLBBCNTI-UONOGXRCSA-N 362.499 3.906 0 40 FHAB Cc1nnc(NC(=O)Cc2csc(Nc3cccc(Cl)c3)n2)s1 16850320 YGGNYPWYRNKMFK-UHFFFAOYSA-N 365.871 3.881 0 40 FHAB O=C(Cc1ccccc1)Oc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 17976101 JYVHMHILUWCKBD-RTBURBONSA-N 363.413 3.514 0 40 FHAB O=C(c1cccc(F)c1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 19293524 YGGBUIQIPJIOFP-UHFFFAOYSA-N 357.410 3.957 0 40 FHAB CCCn1ncc(C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)c1C 19525897 SELHIQVVOMAURC-FQEVSTJZSA-N 371.481 3.890 0 40 FHAB Cc1ncc2c(c1-c1noc(-c3ccc4[nH]c(C)c(C)c4c3)n1)CCNC2 20137896 WLKYTFCZFALCJQ-UHFFFAOYSA-N 359.433 3.851 0 40 FHAB CCn1c(=O)sc2cc(NC(=O)COc3ccc(C)cc3C)ccc21 21355054 XSDGWTXOYHSZCH-UHFFFAOYSA-N 356.447 3.717 0 40 FHAB Cn1nnnc1NCc1ccccc1OCc1ccc(Cl)cc1Cl 22111969 JTKNZWAKYOQZDL-UHFFFAOYSA-N 364.236 3.708 0 40 FHAB O=C1Nc2ccccc2C[C@H]1CCC(=O)N1CCc2[nH]c3ccccc3c2C1 22144694 WERGXNIEQRCOSZ-MRXNPFEDSA-N 373.456 3.644 0 40 FHAB Cc1ccc(-c2csc3ncn(CCC(=O)NC(C)(C)C)c(=O)c23)cc1 23013310 JWZUTNHPTYZNJK-UHFFFAOYSA-N 369.490 3.738 0 40 FHAB C[C@H](NC(=O)c1cccc(Cl)c1)[C@@H](c1cccs1)N1CCOCC1 23181000 RZVPOMVMQRGSHT-GUYCJALGSA-N 364.898 3.593 0 40 FHAB Cc1cc(CN(C)C(=O)c2cc(-c3ccncc3)nc3ccccc23)no1 25137369 KDFVIEYSSPMEGO-UHFFFAOYSA-N 358.401 3.865 0 40 FHAB C[C@@H](c1cccs1)N(C)CN1C(=O)C(=O)c2c(Cl)ccc(F)c21 26554422 BBLDILOLQKWDPV-VIFPVBQESA-N 352.818 3.720 0 40 FHAB CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2ccsc2c1=O 27818392 XMSJMZZXECVDCO-UHFFFAOYSA-N 373.503 3.826 0 40 FHAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc(-c2ccco2)on1 28296051 GPKKDTMOHWUDLH-KRWDZBQOSA-N 351.406 3.502 0 40 FHAB CN(C)c1ccc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cn1 28937905 WNOFSMMVASKIPO-UHFFFAOYSA-N 357.417 3.715 0 40 FHAB Cc1ccc(NC(=O)Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C)c(C)c1 29057732 OWGOHUWPNCAEHX-UHFFFAOYSA-N 363.465 3.694 0 40 FHAB Cc1nc(COc2cccc(/C=C/C(=O)NCc3ccccn3)c2)cs1 29517007 CVBHZSDYLWVSDC-CMDGGOBGSA-N 365.458 3.755 0 40 FHAB CCN1CCN(c2ccccc2NC(=O)c2ccc(SC)cc2)CC1 32678893 XKVYZWRLXZMEEG-UHFFFAOYSA-N 355.507 3.803 0 40 FHAB C[C@H](c1ccccc1Cl)N1CCN(Cn2ncsc2=S)CC1 32770243 VCFGHEOLKJCADG-GFCCVEGCSA-N 354.932 3.664 0 40 FHAB C[C@@H](OC(=O)c1ccc2c(c1)CCC(=O)N2)c1nnc(-c2ccccc2)o1 32841147 CGCUBNYCAAGXBG-GFCCVEGCSA-N 363.373 3.539 0 40 FHAB COc1ccccc1N1CCN([C@@H](C)C(=O)c2c[nH]c3ccccc23)CC1 35946014 IAVURDKAAKQWSP-INIZCTEOSA-N 363.461 3.570 0 40 FHAB O=C(CN1CCN(c2nc3ccccc3s2)CC1)c1ccc(Cl)cc1 36056518 GKEHQXQBJKWMRT-UHFFFAOYSA-N 371.893 3.955 0 40 FHAB CCCn1nc(C)cc1-c1nn2c(-c3ccc(F)c(F)c3)nnc2s1 36354041 MLSOBWLICFVUQN-UHFFFAOYSA-N 360.393 3.713 0 40 FHAB CC[C@H]1CCCCN1C(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C 36616062 SRXMBBFWQZNITF-AWEZNQCLSA-N 352.438 3.941 0 40 FHAB O=C(Cn1cnc2ccccc21)NCc1ccc(OCc2ccccc2)cc1 38488668 DHZRWYHTRXQFCK-UHFFFAOYSA-N 371.440 3.932 0 40 FHAB O=C(Nc1nc(-c2ccccn2)cs1)c1cc(-c2ccc(F)cc2)[nH]n1 40086594 VHHWKHRAJYXRQP-UHFFFAOYSA-N 365.393 3.987 0 40 FHAB Cc1noc(C)c1CCC(=O)NCc1cccnc1OCc1ccccc1 40121607 KEUCSBALWGJERO-UHFFFAOYSA-N 365.433 3.514 0 40 FHAB CCC(=O)N1CCc2cc(C(=O)NCC3(c4ccccc4)CCC3)ccc21 40145157 GSSQIHYMKHQMGP-UHFFFAOYSA-N 362.473 3.837 0 40 FHAB O=C(O)c1nnn(-c2cc(C(F)(F)F)ccc2Cl)c1-c1cccnc1 40478849 JJQNDEXNELHKQM-UHFFFAOYSA-N 368.702 3.700 0 40 FHAB COc1ccccc1/C=C/C(=O)Nc1ccccc1C(=O)NCC(C)C 45479941 NAGXGKCDZWEOJK-OUKQBFOZSA-N 352.434 3.733 0 40 FHAB CC(C)(C)OC(=O)N(CCCNC(=O)C1CCCC1)Cc1cccnc1 47232755 CJNBBPHZCZELSC-UHFFFAOYSA-N 361.486 3.515 0 40 FHAB O=C(NCc1ccccc1OC(F)F)Nc1ccccc1-n1cccn1 48152296 PVIYMQQTIQDRNE-UHFFFAOYSA-N 358.348 3.795 0 40 FHAB CCN(CC)c1ccccc1COC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 48290692 ONQUZFHZLJRKIX-KRWDZBQOSA-N 370.424 3.841 0 40 FHAB CCOc1ccc(CNC(=O)N[C@H](C)c2sc(C)nc2C)cc1OC 57282971 LAAIBQZATKHVBN-GFCCVEGCSA-N 363.483 3.728 0 40 FHAB Cn1ccnc1C(=O)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 57624044 UTZYVSSKYVORMA-UHFFFAOYSA-N 371.799 3.625 0 40 FHAB CCCn1ncc(CN(Cc2ccccc2OC)C[C@@H]2CCCO2)c1C 57811368 CKCQXANLAMIGHR-FQEVSTJZSA-N 357.498 3.791 0 40 FHAB Cc1nc(/C=C/C(=O)N[C@@H](C)c2nc(-c3ccc(F)cc3)no2)cs1 58201084 STZIDZIGICURRT-JARNTUPDSA-N 358.398 3.531 0 40 FHAB COC(=O)[C@@](C)(NC(=O)c1cc2ccccc2o1)c1cc(F)ccc1F 58330744 VYSITJUZOCGEMD-IBGZPJMESA-N 359.328 3.529 0 40 FHAB Cc1sc2ncnc(-n3cc(C(=O)c4cc(F)ccc4O)cn3)c2c1C 58377771 RMGYMSRGOLONJN-UHFFFAOYSA-N 368.393 3.570 0 40 FHAB Cc1oc2cc(OC(=O)[C@H]3CCCN3)ccc2c(=O)c1Oc1ccccc1 61989732 PLCKZDLFRVRNSQ-QGZVFWFLSA-N 365.385 3.551 0 40 FHAB biogenic O=C(Nc1cc(N2CCOC2=O)ccc1F)N[C@H]1C[C@@H]1c1cccc(F)c1 67679604 AVDQSRHHNDOQKY-ZBFHGGJFSA-N 373.359 3.599 0 40 FHAB O=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1ccccc1Cl 70636110 WOULMLSTCVMSPN-KRWDZBQOSA-N 361.850 3.505 0 40 FHAB Cc1n[nH]cc1C(=O)N1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 72358047 CNCCWOPBSRWPGU-FQEVSTJZSA-N 364.424 3.820 0 40 FHAB COCCN(CC(C)C)C(=O)Nc1ccccc1-c1nncn1C(C)C 75108737 RWDDHOZILSVCEU-UHFFFAOYSA-N 359.474 3.662 0 40 FHAB C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)COc1ccc(Oc2ccccc2)cc1 76021851 GBSOZZTXUXRUSH-UTKZUKDTSA-N 368.477 3.656 0 40 FHAB Cc1nc(-c2cccc(NC(=O)N(C[C@H]3CCOC3)C3CC3)c2)oc1C 84061800 XCDWJMUOXHEWOD-OAHLLOKOSA-N 355.438 3.991 0 40 FHAB Cc1cccc(OC2CCN(C(=O)COc3ccc(C(C)C)cc3)CC2)n1 96119498 WTPQTFSUTKSSCK-UHFFFAOYSA-N 368.477 3.962 0 40 FHAB C[C@@H]1[C@@H](OC(=O)c2cccc(N3C(=O)CCC3=O)c2)C[C@@H]2C[C@@H]1C2(C)C 108904498 IGPLREQKGCQVKF-CSFVBSKPSA-N 355.434 3.568 0 40 FHAB COc1ccc2nc(S[C@@H](C)C(=O)c3ccc(OC)c(OC)c3)[nH]c2c1 109437153 PDTXHCRMUXOKLJ-NSHDSACASA-N 372.446 3.952 0 40 FHAB O=C(Cn1cnc2ccccc21)N1CCCC[C@@H](c2ccc(F)cc2)C1 207960328 FYKJUJISBGLZCD-QGZVFWFLSA-N 351.425 3.972 0 40 FHAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccccn1 222831307 WIWRVQYVMCXQON-OAHLLOKOSA-N 373.884 3.569 0 40 FHAB COc1cccc(OCCNC(=O)CSc2ccc(Cl)cc2)c1 223389396 GHUDFNOMTZFLLH-UHFFFAOYSA-N 351.855 3.636 0 40 FHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1 225013589 IYIDATYROQGQDZ-MOPGFXCFSA-N 366.505 3.870 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2snnc2-c2ccc(F)cc2)cc1 225780442 RNOCYTQMJLAQDO-UHFFFAOYSA-N 371.393 3.773 0 40 FHAB COc1ccc2oc(=O)c(C(=O)N[C@@H](C)CCc3ccccc3)cc2c1 226038534 FXDUQVNBONEHSA-AWEZNQCLSA-N 351.402 3.553 0 40 FHAB CCOC(=O)/C=C/c1ccc(OCc2cccnc2)c(Br)c1 226332882 LLEAVSLVLCUTBN-SOFGYWHQSA-N 362.223 3.999 0 40 FHAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H]2C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 226563815 QMRSLUGJUPOTJO-BVPNHYKMSA-N 374.506 3.900 0 40 FHAB O=C(N[C@@H]1CC[C@H]2OCCO[C@@H]2C1)c1cccc(Oc2ccc(F)cc2)c1 244986047 JDEVGXMCDHCZRB-NSISKUIASA-N 371.408 3.684 0 40 FHAB CCn1nc(C)c(CNC(=O)c2sc(C)nc2-c2ccccc2)c1C 257173241 HKZILGBXWICQLQ-UHFFFAOYSA-N 354.479 3.882 0 40 FHAB CC1(C)CCc2nc(NC(=O)N3C[C@H](O)C[C@@H]3c3ccccc3)sc2C1 333661334 XBHFFIYVBIDYRM-GDBMZVCRSA-N 371.506 3.998 0 40 FHAB Cc1cccc(C2=N/C(=C/c3cc(Br)ccc3O)C(=O)O2)c1 408842316 KFDMDVCEEFVKFK-NTEUORMPSA-N 358.191 3.808 0 40 FHAB Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccccc2)o1 409157986 QVSPBNNMJAKCID-UHFFFAOYSA-N 369.446 3.996 0 40 FHAB C[C@@H]1CC(C(=O)O)C[C@@H](C)N1Cc1cc(Cl)c2c(c1)OCCCO2 530175051 CLWZWDRTAVRERH-VXGBXAGGSA-N 353.846 3.575 0 40 FHAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCC[C@H](Oc2ccncn2)C1 575608623 GWJDMYGIRJTHJT-AWEZNQCLSA-N 366.343 3.571 0 40 FHAB CC(C)c1nccc(N2CCC[C@@H]3[C@H](NC(=O)C4CCCC4)C(C)(C)[C@@H]32)n1 585137631 KMNBCGLSXFWEHV-NZSAHSFTSA-N 370.541 3.900 0 40 FHAB Cc1nc(C[C@H]2CCCNCC2)cc(-c2cnc3ccc(Cl)cn23)n1 585262750 CABZHPBAZKHNOY-AWEZNQCLSA-N 355.873 3.685 0 40 FHAB Cc1cccc(O[C@@H]2CCC[C@H](NCCOc3ccccc3C)[C@H]2O)c1 585289565 RPIKXYDRPVEYQY-KSEOMHKRSA-N 355.478 3.633 0 40 FHAB COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(C)c1C 605002151 REKNHOAMFIOUNI-CHWSQXEVSA-N 365.417 3.711 0 40 FHAB OC[C@H](NCc1cc2n(n1)CCCC2)c1ccc(Cl)cc1C(F)(F)F 649596090 JTSUTTDKUCNYKH-INIZCTEOSA-N 373.806 3.715 0 40 FHAB Cc1cc(C(=O)N2CCc3c(Cl)cc(F)cc3C2)c2c(C)nn(C)c2n1 650550267 VOJDSAQQYLLCFO-UHFFFAOYSA-N 372.831 3.576 0 40 FHAB O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)c1ccnc(O)c1 655253448 FZSOBWNWDHKJFC-UHFFFAOYSA-N 366.339 3.538 0 40 FHAB O=C(NCc1nccc(C(F)(F)F)n1)N[C@@H]1CCCC12CCCCC2 661317863 LABDFTOSJNXCCB-GFCCVEGCSA-N 356.392 3.798 0 40 FHAB CC[C@@H](c1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)C(=O)O 699218391 WNRGYRVZJGOYMB-QWHCGFSZSA-N 372.259 3.921 0 40 FHAB CN(C)c1cc(C(=O)Nc2cc(F)ccc2NC(=O)OC(C)(C)C)ccn1 1251751997 SPOPRJYJLKLAAL-UHFFFAOYSA-N 374.416 3.886 0 40 FHAB COc1ccc2cc(C(=O)N3CCC[C@H]3CNc3cccc(C)n3)[nH]c2c1 1318644628 MOPKDCNJINLXCD-INIZCTEOSA-N 364.449 3.597 0 40 FHAB O=C(c1ccc2nnc(C(F)F)n2c1)N1CC[C@@H]1c1ccc(Cl)cc1 1322209437 SBZDSURYVRZRHA-CYBMUJFWSA-N 362.767 3.908 0 40 FHAB O=C(NC1CC1)C1CCN(c2nc3c(C(F)(F)F)cccc3s2)CC1 2087131592 UTRFNGRUGQPLAN-UHFFFAOYSA-N 369.412 3.810 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 1102364 DAVYIBBDROGUJF-MRXNPFEDSA-N 352.434 3.774 0 40 FHAB COc1ccc(-c2noc(CCCC(=O)Nc3ccccc3)n2)cc1OC 2355138 PPQPGCZLONEXLM-UHFFFAOYSA-N 367.405 3.715 0 40 FHAB Fc1ccc(Br)cc1[C@H]1C=C(c2cccnc2)Nc2ncnn21 2914193 ZBLADYJVXNQLAS-OAHLLOKOSA-N 372.201 3.631 0 40 FHAB CCN(CC)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2OC)cc1 3338299 VCKQGHIJMRRGFO-HNNXBMFYSA-N 370.449 3.725 0 40 FHAB Cc1cccc(C(=O)OCC(=O)Nc2ccc(Br)c(C)c2)c1 3443013 CMHKNAPYYJEPIU-UHFFFAOYSA-N 362.223 3.861 0 40 FHAB COc1cccc(C(=O)OCC(=O)c2ccc(Br)s2)c1 3523886 VUQDBFUFBZVYCW-UHFFFAOYSA-N 355.209 3.559 0 40 FHAB COc1ccc([C@H]2CC(c3c(OC)cc4occc4c3OC)=NN2)cc1 3851092 YEZSYOGCCKZSPT-OAHLLOKOSA-N 352.390 3.897 0 40 FHAB biogenic O=C(Oc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1)C1CC1 4339964 RRTRARGJHLAFFR-UHFFFAOYSA-N 374.348 3.882 0 40 FHAB biogenic C[C@@]1(c2ccccc2)NC(=O)N(Cc2csc(-c3ccccc3)n2)C1=O 4475863 UZDXFYYLRKMDIZ-FQEVSTJZSA-N 363.442 3.777 0 40 FHAB O=C(O)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 4601605 VBNARKKLDZAPGL-HNNXBMFYSA-N 352.217 3.868 0 40 FHAB COc1ccc(CCNC(=O)CCSc2ccc(C)cc2)cc1OC 4690894 WTXXOGCNSSFPSV-UHFFFAOYSA-N 359.491 3.853 0 40 FHAB O=C(Nc1cc(Cl)ccc1N1CCCC1)[C@H]1COc2ccccc2O1 5200783 MQBXPYXOQDQCOW-GOSISDBHSA-N 358.825 3.719 0 40 FHAB Cc1ccc(OCCN2C(=O)C(=O)c3cc(Br)cc(C)c32)cc1 5234820 FOSZBUBMCLYBCH-UHFFFAOYSA-N 374.234 3.674 0 40 FHAB CCCOc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2C)cc1 6569863 CXQQLGAQFNJIHX-UHFFFAOYSA-N 372.446 3.609 0 40 FHAB C[C@@H]1CCCN(c2cnn(Cc3ccccc3Cl)c(=O)c2Cl)C1 6670441 YHQAVAQYPKKWJI-GFCCVEGCSA-N 352.265 3.835 0 40 FHAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccccc1F 6752943 GTIQUIKINOMJDL-IBGZPJMESA-N 351.381 3.877 0 40 FHAB CC(C)COc1ccc(C(=O)Nc2nn3c(CC(C)C)nnc3s2)cc1 6818157 QPSFYQRDCWRLEO-UHFFFAOYSA-N 373.482 3.671 0 40 FHAB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)N1CCc2ccccc21 7341981 KNQSRFQAWJCNMW-UHFFFAOYSA-N 370.865 3.807 0 40 FHAB COc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc1OC 7342849 HVQJWKJYADYXPU-YBEGLDIGSA-N 356.403 3.798 0 40 FHAB O=C(CCNC(=O)c1ccccc1)Nc1ccc(SC(F)F)cc1 7598119 FJFCYBFGOYGHNH-UHFFFAOYSA-N 350.390 3.760 0 40 FHAB CN(C)C(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C(C)(C)C)C2 8008207 HECWMLOLDKGMAQ-CQSZACIVSA-N 368.477 3.631 0 40 FHAB Cc1cc(OCC(=O)OCC(=O)Nc2ccc3c(c2)CCC3)ccc1Cl 8140915 JZYARIKYNAVMLY-UHFFFAOYSA-N 373.836 3.698 0 40 FHAB CCN(C(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1)c1cccc(C)c1 8246347 ZTEKAFXSVYDPRV-GOSISDBHSA-N 368.452 3.578 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)NCCSCc1ccccc1C 8478960 LEOHZBLFIKCIFN-MRXNPFEDSA-N 359.491 3.821 0 40 FHAB CCOc1ccc(C(=O)OCc2nc(-c3ccc(OC)cc3)no2)cc1 8494587 GKEAJOXNWUAUCN-UHFFFAOYSA-N 354.362 3.501 0 40 FHAB NC(=O)c1ccc(NC(=O)CCc2ccc(-c3ccccc3F)o2)cc1 8855853 JRFKVESGERDVMZ-UHFFFAOYSA-N 352.365 3.756 0 40 FHAB COc1ccc(/C=C/C(=O)N2CCc3[nH]c4ccccc4c3C2)c(OC)c1 9899911 FCLDKVALPPGMPS-CSKARUKUSA-N 362.429 3.783 0 40 FHAB CCOc1ccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1OC 9901470 UIJYLNCXXCWZMI-UHFFFAOYSA-N 350.418 3.774 0 40 FHAB COc1ccccc1CNc1nccn(-c2cccc(Cl)c2C)c1=O 10273148 QEPOJXQGUZGYPO-UHFFFAOYSA-N 355.825 3.815 0 40 FHAB COc1ccc(C2(NC(=O)CCn3nc(C)cc3C)CCCCC2)cc1 12143154 MEIGRGVNBXUZNM-UHFFFAOYSA-N 355.482 3.874 0 40 FHAB C[C@H]1CCc2ccccc2N1CC(=O)Nc1cc2c(cc1Cl)OCO2 12526991 MTRWMWFGAXRCSS-LBPRGKRZSA-N 358.825 3.849 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)CSc1ccc2c(c1)CCC2 12700848 XRUKQARJRMJRJO-UHFFFAOYSA-N 370.474 3.873 0 40 FHAB CCOc1ccccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C 12745587 CHVFTYNKNYSHGO-UHFFFAOYSA-N 350.422 3.805 0 40 FHAB O=C(O)CCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 13078457 CTQQFAOZCMIETL-UHFFFAOYSA-N 374.245 3.811 0 40 FHAB CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2Cl)c(C)c1 13671769 LFHHQIWZOHTLRA-UHFFFAOYSA-N 367.854 3.767 0 40 FHAB COc1cc(C2=N/C(=C\C=C\c3ccccc3)C(=O)O2)cc(OC)c1OC 15263411 OSPIILCSAFSNCB-CRWKAAGYSA-N 365.385 3.613 0 40 FHAB CCCCCc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 15741217 ILWTVDCWGUWKCR-UHFFFAOYSA-N 374.506 3.922 0 40 FHAB Cc1ccccc1N1C(=O)c2ccc(C(=O)N(C)Cc3ccco3)cc2C1=O 17703831 IBXXSOOSMGWIAQ-UHFFFAOYSA-N 374.396 3.661 0 40 FHAB O=C(NCCSc1ccccc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 18214445 CVEOPCMPFMNNSV-AWEZNQCLSA-N 374.893 3.601 0 40 FHAB CCC[C@H](c1nnnn1C1CCCCC1)N1CCN(C2CCCCC2)CC1 20121547 HQNQTSAPKVHHSO-HXUWFJFHSA-N 374.577 3.970 0 40 FHAB COc1ccc(NC(=O)COc2ccccc2C)cc1-c1ccc(CO)o1 20143765 OSJSREIYSUBUEN-UHFFFAOYSA-N 367.401 3.773 0 40 FHAB CCOc1ccc(CCC(=O)NCc2ccccc2OC)cc1OCC 20453560 BIBFQDVXUYAADZ-UHFFFAOYSA-N 357.450 3.742 0 40 FHAB Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H](C(=O)O)c1ccccc1 20715740 ZSTRBTWRHGVHTG-OAHLLOKOSA-N 352.415 3.674 0 40 FHAB Cc1ccc(N2C[C@@H](C(=O)Nc3nc4ccccc4s3)CC2=O)cc1C 21450390 SCZMXNYQGNTVLI-AWEZNQCLSA-N 365.458 3.905 0 40 FHAB COc1cc(CNn2c(C)n[nH]c2=S)ccc1OCc1cccs1 22112425 UWWLMJJGHFUURP-UHFFFAOYSA-N 362.480 3.642 0 40 FHAB C[C@H](NC[C@H](c1ccco1)N1CCCCC1)C(=O)Nc1ccc(F)cc1 22804456 RTUNJAOKVMRPCL-MAUKXSAKSA-N 359.445 3.563 0 40 FHAB Cc1c(C(=O)NCc2cccnc2)cnn1-c1cccc(C(F)(F)F)c1 22990746 OPTNJXQGSJNNSD-UHFFFAOYSA-N 360.339 3.525 0 40 FHAB CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1 24369052 SFQIDEHVKUOTBV-SFHVURJKSA-N 354.450 3.785 0 40 FHAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NC(C)C 30870912 NOHNNHQPHYTLTG-HNNXBMFYSA-N 354.450 3.793 0 40 FHAB CCc1c(C)sc2nc(N[C@H](CC)CO)n3nc(-c4ccco4)nc3c12 32089000 SODADBGTBCKTSG-LLVKDONJSA-N 371.466 3.653 0 40 FHAB Cc1cc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)on1 32174181 PRTKSTMVOGNNLM-UHFFFAOYSA-N 356.238 3.554 0 40 FHAB C[C@H]1CN([C@H](C)CNC(=O)/C=C/c2ccc(Cl)cc2Cl)C[C@@H](C)O1 32429816 BHCQBEMURIRTJE-NUMNOVEKSA-N 371.308 3.621 0 40 FHAB O=C(NC1CCCCCC1)c1ccc(F)cc1I 32476877 MYGVIZRCFPUWQZ-UHFFFAOYSA-N 361.198 3.883 0 40 FHAB O=C(CN1CCCCCC1=O)NCc1ccc(-c2ccc(Cl)cc2)o1 32524586 RDVDDJBJUWHSCI-UHFFFAOYSA-N 360.841 3.619 0 40 FHAB O=C(NC1=NCCS1)c1sc(-c2ccco2)nc1-c1ccccc1 32753122 LEACXHPBTPZNGR-UHFFFAOYSA-N 355.444 3.903 0 40 FHAB CC[C@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)c1ccc(OC)cc1 32868849 MKUIYVSYVFHKKB-SFHVURJKSA-N 352.438 3.902 0 40 FHAB CCN(CCNC(=O)CSCc1csc(C)n1)c1ccccc1C 32931237 XKTMVOPZCGDQNC-UHFFFAOYSA-N 363.552 3.636 0 40 FHAB CC(C)NC(=O)Nc1ccc(CNC(=O)Cc2ccccc2Cl)cc1 36391551 DBMOMBVJMCIHFY-UHFFFAOYSA-N 359.857 3.729 0 40 FHAB CCNC(=O)COc1ccc(NC(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1 40104825 DBYHYDXFEAGMTM-CQSZACIVSA-N 373.428 3.566 0 40 FHAB O=C(c1ccn(-c2ccccc2)n1)N1CCC(c2c[nH]c3ncccc23)CC1 40151755 LHUOFRWYYPBAIK-UHFFFAOYSA-N 371.444 3.768 0 40 FHAB COc1ccccc1OCCNC(=O)C1(c2ccc(F)cc2)CCCC1 40160393 AGOQICISEQSYEY-UHFFFAOYSA-N 357.425 3.841 0 40 FHAB Cc1nn(C(C)C)c(C)c1NS(=O)(=O)c1ccc(Br)cc1 40446699 WVXHJQLZTBRXAR-UHFFFAOYSA-N 372.288 3.644 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=O)c2cc(C)n(-c3ccccc3)n2)c1 41454004 QJEKVCOZNJVBHD-UHFFFAOYSA-N 369.808 3.873 0 40 FHAB Cc1ccc(S[C@H](C)C(=O)NCc2nc(-c3ccccc3)no2)cc1 43996179 FRGDNWLWSYEDLU-CQSZACIVSA-N 353.447 3.842 0 40 FHAB Cc1ccc(C)c(NC(=S)NC2CCN(Cc3ccccn3)CC2)c1 44222104 MYGSREMQSADPHH-UHFFFAOYSA-N 354.523 3.649 0 40 FHAB CC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccc(F)c3cccnc23)C1=O 46397982 YYPQTXSPYNOGLB-NRFANRHFSA-N 363.392 3.731 0 40 FHAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(OCc2cccs2)cc1 48261983 HCPZNMYCXLEAOO-ZDUSSCGKSA-N 370.430 3.677 0 40 FHAB Cc1ccc(-c2nnc([C@H]3CCN(Cc4ccc(C(=O)O)cc4)C3)o2)cc1 49169889 KKEMZWGVTZGJOJ-SFHVURJKSA-N 363.417 3.733 0 40 FHAB biogenic,in-vitro Fc1ccc(Cn2cc(-c3noc(-c4ccc5cc[nH]c5c4)n3)nn2)cc1 49410171 ATOARFVYWORCMC-UHFFFAOYSA-N 360.352 3.664 0 40 FHAB CC(=O)NCCc1ccc(-c2csc(N3CCC[C@H](C)C3)n2)cc1F 55050971 ZXMXQPVGSASGQD-ZDUSSCGKSA-N 361.486 3.864 0 40 FHAB Cc1ccc2c(CC(=O)Nc3ccccc3Cn3cncn3)coc2c1C 55968661 OSYSSUBKEYVDQM-UHFFFAOYSA-N 360.417 3.871 0 40 FHAB O=C(N1CCC(c2ncc[nH]2)CC1)C1(c2ccc(Br)cc2)CC1 58145421 UVLLUHBRSIYRRE-UHFFFAOYSA-N 374.282 3.610 0 40 FHAB O=C(Nc1ccc(Br)cc1)C1CCN(Cc2ccccn2)CC1 58209825 NMRVXEDPEYEQEC-UHFFFAOYSA-N 374.282 3.695 0 40 FHAB O=C(NCCCCOCCc1ccccc1)N1CCC[C@@H]1c1ccncc1 58223809 RSDNTCDINDCKDC-OAQYLSRUSA-N 367.493 3.968 0 40 FHAB CCCCS[C@@H](C)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 58264006 LXOQSOPJXUGWSR-HNNXBMFYSA-N 363.527 3.721 0 40 FHAB C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 58413051 PNEUVKBFAHKIQB-CORIIIEPSA-N 355.887 3.577 0 40 FHAB Cc1n[nH]c(C(=O)N(Cc2ccccc2)CC2CCC2)c1Br 62221167 JTWGUEVLUDGWJD-UHFFFAOYSA-N 362.271 3.923 0 40 FHAB Cc1ccccc1[C@H](C)Nc1ncccc1S(=O)(=O)N1CCCCC1 66451967 HRRLKFCFRXIQAW-INIZCTEOSA-N 359.495 3.738 0 40 FHAB CCc1ccc(N/C=C(\C(=O)OC)S(=O)(=O)c2ccc(CC)cc2)cc1 67340464 XZDVCBQJKNSCES-XMHGGMMESA-N 373.474 3.712 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)CN2CCC[C@@H]2C2CCCCC2)c1 75358642 ZXQDMCKJNVRGKZ-OXQOHEQNSA-N 374.525 3.926 0 40 FHAB O=C([C@@H]1COc2ccccc2O1)N(CCc1cccs1)Cc1ccco1 77183917 ASWQZUVXNDCESP-IBGZPJMESA-N 369.442 3.752 0 40 FHAB Cc1noc2ncc(S(=O)(=O)N(C)[C@@H](c3ccccc3)C(C)C)cc12 78674238 NNCWDEBLNBZHLH-QGZVFWFLSA-N 359.451 3.549 0 40 FHAB COc1cccc(CNC(=O)CNC2(c3ccccc3)CCCCC2)c1 79075148 YZUFDJPZJYWINA-UHFFFAOYSA-N 352.478 3.761 0 40 FHAB Cc1cccc(NC(=O)N[C@@H]2CCS(=O)(=O)c3ccc(Cl)cc32)c1 79107249 CAEVTHUPPXZNPW-OAHLLOKOSA-N 364.854 3.689 0 40 FHAB COC(=O)c1ccc(NCc2cccc(NC(=O)c3ccco3)c2)nc1C 89537000 IYASAQDJLUHTPA-UHFFFAOYSA-N 365.389 3.634 0 40 FHAB O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)NCCC1=CCCCC1 95474142 QAFAWVQVEBBHIJ-QGZVFWFLSA-N 373.888 3.507 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(-n2ccnc2C)nc1 95963530 FUJJHRLQXJAYNG-INIZCTEOSA-N 354.385 3.511 0 40 FHAB CO[C@@H]1CCN(c2ccc(NC(=O)c3ccc(-n4cccc4)cc3)cc2)C1 96122283 CHPFZDBARCPLCP-OAQYLSRUSA-N 361.445 3.955 0 40 FHAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 97656367 YWPSUPQDTWZJNP-XOBRGWDASA-N 374.431 3.526 0 40 FHAB Cc1nnc(SCc2cc(O)n(-c3nc4ccccc4s3)n2)s1 100225727 MDALYLUTXRULPL-UHFFFAOYSA-N 361.477 3.640 0 40 FHAB CC(C)Oc1ccc([C@H]2CC(=O)N(c3ccc(N(C)C)cc3)C2=O)cc1 100574895 NDINWXVMPVJSLN-LJQANCHMSA-N 352.434 3.587 0 40 FHAB Cc1cccc2[nH]cc(CCNC(=O)N3CCCC[C@@H]3c3ncc[nH]3)c12 106559340 USOYZVSTGFPRBM-QGZVFWFLSA-N 351.454 3.679 0 40 FHAB CCCN(C)C[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 106922515 ZTWSFFSBFYQQQV-CABCVRRESA-N 371.447 3.696 0 40 FHAB O=C1C[C@@H](c2nc(-c3ccc(F)c(F)c3)no2)CN1CCc1ccccc1 109535695 FLSLMDUCGRSICD-OAHLLOKOSA-N 369.371 3.573 0 40 FHAB CN1CCC(Oc2ccc(NC(=O)c3cnc(C(C)(C)C)s3)cn2)CC1 154935894 QCDYKXYROYUMSP-UHFFFAOYSA-N 374.510 3.561 0 40 FHAB Cc1ccc2c(C)nc(NC3=NCN([C@H]4CCC[C@@H](C)[C@@H]4C)CN3)nc2c1 169713643 UVJAURJSRPJZJF-VCBZYWHSSA-N 366.513 3.659 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)NCc1ccc2ccccc2c1 222821130 FGWCDXSJAKEFAQ-UHFFFAOYSA-N 361.850 3.980 0 40 FHAB CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C 223188684 IOWOOEZUDQYESP-NRFANRHFSA-N 370.468 3.558 0 40 FHAB COc1cccc(O[C@@H](C)C(=O)NCCOc2cccc3ccccc23)c1 223550936 JANVJWFOBXSKEX-INIZCTEOSA-N 365.429 3.811 0 40 FHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCOc1ccccc1Cl 224156733 JHVYBSVYFGZOGG-QGZVFWFLSA-N 363.841 3.701 0 40 FHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCOCc1ccccc1 225144204 JIFABHGIUAORTG-QGZVFWFLSA-N 353.462 3.666 0 40 FHAB Cc1cc(NS(=O)(=O)c2ccc(F)s2)ccc1Br 225389794 BHBDCSRTHYQKHP-UHFFFAOYSA-N 350.234 3.759 0 40 FHAB Cc1ccc(CCCNC(=S)Nc2ccc(C(=O)N(C)C)cc2)cc1 225389796 TXWJFMCILCUQLF-UHFFFAOYSA-N 355.507 3.616 0 40 FHAB CC(=O)NCc1ccc([C@H]2CCCN2C(=O)CCC2CCCCC2)nc1 257241680 HZCDWSSVSNQBKX-HXUWFJFHSA-N 357.498 3.742 0 40 FHAB Cc1cccnc1Nc1cc([C@@H]2CCCN(Cc3nccn3C)C2)ccn1 257311952 ULTAUWSPZHMNSB-GOSISDBHSA-N 362.481 3.642 0 40 FHAB CCc1noc(C)c1C(=O)N1CCC(C)(c2ncc(Cl)s2)CC1 257326068 WVQVIPTXCQZSPI-UHFFFAOYSA-N 353.875 3.849 0 40 FHAB CC[C@@H](C(=O)O)N1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 373052442 PTBOSGICHUAAKD-SFHVURJKSA-N 371.412 3.691 0 40 FHAB CCc1s/c(=N\S(=O)(=O)c2ccccc2)n(C)c1-c1ccccc1 409195199 GJIDGXNIDJTINT-HNENSFHCSA-N 358.488 3.606 0 40 FHAB CCOc1cc(CCC(=O)N[C@@H]2[C@@H]3CCC[C@@H]3[C@@H]2c2ccccc2)on1 409412774 BSFMKTVEJCXMPP-KJNZLNQQSA-N 354.450 3.704 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)CN[C@H]1CCc2ccccc2OC1 585080288 YROHWGYZDGXFTD-HNNXBMFYSA-N 374.868 3.579 0 40 FHAB O=C(c1cccs1)N1Cc2cccn2C[C@H](CCNc2ccccn2)C1 585095259 KSUMMKSDKJPYQM-INIZCTEOSA-N 366.490 3.719 0 40 FHAB COCc1ncc(C(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)s1 585124241 NSLMIKOFXYWGNR-UHFFFAOYSA-N 367.833 3.536 0 40 FHAB CCCN(C(=O)c1ccc(C(F)(F)F)c(O)n1)[C@@H]1C[C@H](OCC)C1(C)C 669088327 UEPFFOUPFMFYDQ-KGLIPLIRSA-N 374.403 3.862 0 40 FHAB O=C(c1cc2cc(F)ccc2[nH]1)N1CC[C@]2(CCc3ccccc3O2)C1 685893456 IAQLBKWKMGOQGP-OAQYLSRUSA-N 350.393 3.917 0 40 FHAB O=C(Nc1cc2c(cc1Br)OCCO2)c1ccccc1F 634147 KHGVAHACSRFQCA-UHFFFAOYSA-N 352.159 3.612 0 40 FHAB CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC)cc1OC)NCC2 719040 IWFAKKQEWNYNRB-OAQYLSRUSA-N 357.450 3.736 0 40 FHAB biogenic,in-vitro CC[C@H](C(=O)OC)n1cnc2scc(-c3ccc(Cl)cc3)c2c1=O 783699 HVBSTRUPKIDBMH-CYBMUJFWSA-N 362.838 3.903 0 40 FHAB CCOc1ccc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1OC 819324 KUYMBYOLFFVFLE-KRWDZBQOSA-N 374.525 3.564 0 40 FHAB C[C@@H]1CCc2c(sc3ncnc(SCC(=O)NC4CCCC4)c23)C1 881310 VCHRHFNWISVXHP-LLVKDONJSA-N 361.536 3.967 0 40 FHAB CC1CCN(C(=O)CSc2ncccc2-c2nc3ccccc3[nH]2)CC1 1329283 VIKYSVFWALGQTL-UHFFFAOYSA-N 366.490 3.976 0 40 FHAB CCOc1cc(/C=C/C(=O)Nc2nnc(C)s2)ccc1OCC(C)C 2627612 RFADVEYWRVWRLO-VQHVLOKHSA-N 361.467 3.932 0 40 FHAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3cc(C)oc3C)c2C)no1 3464613 LBPJILPQKMVLTQ-UHFFFAOYSA-N 356.378 3.640 0 40 FHAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1CCOc1ccccc1Cl 3549110 CASOUYXAFCUYFB-FQEVSTJZSA-N 370.836 3.502 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 3580031 GPORSJXCZDQDDB-YOEHRIQHSA-N 366.461 3.575 0 40 FHAB CN(CCc1ccccn1)c1ncnc2c1cnn2-c1ccc(Cl)cc1 3912238 SWCAHXGMWQXQAD-UHFFFAOYSA-N 364.840 3.543 0 40 FHAB CCCCn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(F)ccc21 4193268 NYVRQAFUHCSNJM-UHFFFAOYSA-N 359.422 3.774 0 40 FHAB O=C(CSc1nc(-c2ccc(F)cc2)cs1)Nc1nncs1 4434410 XGPHRIMBRHJMFE-UHFFFAOYSA-N 352.441 3.532 0 40 FHAB O=C(CS(=O)(=O)c1ccccc1)Nc1ccccc1Oc1ccccc1 4496386 QXWWVDYTZUOICA-UHFFFAOYSA-N 367.426 3.891 0 40 FHAB COc1ccc(C(=O)Oc2ccc(C(=S)N3CCCC3)cc2OC)cc1 4616881 FSNLDUCZIXWHFS-UHFFFAOYSA-N 371.458 3.694 0 40 FHAB CCc1ccccc1NC(=O)CCc1nc(-c2ccc(OC)cc2)no1 4933308 ISDUUGZESKLLBJ-UHFFFAOYSA-N 351.406 3.879 0 40 FHAB C[C@@H](NCc1ccc2c(c1)n(C)c(=O)n2C)C12CC3CC(CC(C3)C1)C2 4993736 WNYJDWDAJPOGKP-YMXMSLLWSA-N 353.510 3.572 0 40 FHAB COc1ccc(NC(=O)C[S@@](=O)c2ccc(Cl)c(Cl)c2)cc1 5210758 ITJATCWRJDPYTB-QFIPXVFZSA-N 358.246 3.748 0 40 FHAB COCCn1c(SCc2cc(C)ccc2OC)nc2ccccc2c1=O 5315732 MEHKQUCLIXGZSM-UHFFFAOYSA-N 370.474 3.652 0 40 FHAB COc1cccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)c1 5373846 ZHGFKUZFABQPHW-UHFFFAOYSA-N 350.418 3.637 0 40 FHAB Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(Cl)cc3)n2)cc1C 5401938 FGOCKXKQXBDDBX-UHFFFAOYSA-N 367.836 3.819 0 40 FHAB O=C(NCc1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1Cl 5569661 NNBSCRDLJVNXEH-UHFFFAOYSA-N 371.651 3.579 0 40 FHAB CC(C)(C)c1cc(NS(=O)(=O)c2ccc(Br)cc2)no1 5642203 ZZLNLPRBQKOXKN-UHFFFAOYSA-N 359.245 3.535 0 40 FHAB Cn1c(CN2CCCC2)nc2cc(NC(=O)NC3CCCCC3)ccc21 6130203 LOBWINYEUXPUFS-UHFFFAOYSA-N 355.486 3.623 0 40 FHAB COC(=O)c1ccc2nc(NC(=O)c3ccc4ncsc4c3)sc2c1 6441067 JYJDWLTUIYFFCZ-UHFFFAOYSA-N 369.427 3.945 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1 6525459 PFXOVTOAILPSGU-BBRMVZONSA-N 365.857 3.541 0 40 FHAB O=C(Nc1ccc(Cl)cc1F)[C@H]1CC(=O)N(CCc2ccccc2)C1 6638382 ODOIPIAOCRZNKA-AWEZNQCLSA-N 360.816 3.509 0 40 FHAB CCn1c(S[C@@H](C(=O)N(C)C)c2ccccc2)nnc1-c1ccccc1 6846481 PXQFXESVUCZOBE-QGZVFWFLSA-N 366.490 3.887 0 40 FHAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)N2CCc3ccccc32)o1 7195073 GQGNEMNNZZWMOL-LBPRGKRZSA-N 355.419 3.708 0 40 FHAB Cc1cc(=O)c(C(=O)NC2CCCCCC2)nn1-c1ccccc1Cl 7955020 FTWQDRXZTXEZQM-UHFFFAOYSA-N 359.857 3.647 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(C)C 8071716 HPLVFSNTFHSXPV-IBGZPJMESA-N 354.450 3.787 0 40 FHAB COc1cc(S(=O)(=O)Nc2cccc(C)c2C)ccc1Br 8132535 VWPUTIOFGNZZLH-UHFFFAOYSA-N 370.268 3.875 0 40 FHAB Cc1ccc(C)c(C(=O)CCC(=O)N(C)CC(=O)Nc2cccc(F)c2)c1 8314172 QOMAFIHPAHUBTR-UHFFFAOYSA-N 370.424 3.503 0 40 FHAB O=C(Oc1ccc(Cl)cc1)c1cc(-c2ccc3c(c2)OCCO3)on1 8830957 MQTHDCRBQYYBNC-UHFFFAOYSA-N 357.749 3.985 0 40 FHAB C[C@@H](CC(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C)c1ccccc1 9157078 ONAGFOZASVOQCZ-YWZLYKJASA-N 351.425 3.959 0 40 FHAB O=C1c2ccccc2N[C@@H](c2cnn(-c3ccccc3)c2)N1C[C@@H]1CCCO1 9477559 XHMXOVNJCUQINS-GHTZIAJQSA-N 374.444 3.618 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)Nc1cccc(Cl)c1N1CCOCC1 9906264 BBAPJAVNQMHBCF-UHFFFAOYSA-N 369.852 3.839 0 40 FHAB Cc1ccc(Cn2nc(C(=O)N3CCCc4cc(C)ccc43)ccc2=O)cc1 11782188 DHPVVALUAXXTFZ-UHFFFAOYSA-N 373.456 3.501 0 40 FHAB CCn1c([C@H](CC(C)C)NC(=O)Cc2cccs2)nc2cccnc21 12114135 OSJXJWVZKVNQGI-INIZCTEOSA-N 356.495 3.959 0 40 FHAB Cc1ccc(CN(Cc2c[nH]nc2-c2ccc(O)cc2)C[C@H]2CCCO2)o1 12143721 DMFLKKRYYKCOHH-LJQANCHMSA-N 367.449 3.865 0 40 FHAB CCc1nnc(-c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)o1 12443887 MOYZBIJMROAWDG-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB CCn1ccnc1S[C@@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC 12646591 QFKTYVJWVNGQLQ-NSHDSACASA-N 353.875 3.993 0 40 FHAB Cc1cc(C)c2c([C@@H]3CCCN3C(=O)c3cccc(F)c3)nn(C)c2n1 12671130 CRCAPDBBIXMFHY-INIZCTEOSA-N 352.413 3.702 0 40 FHAB COC(=O)c1cc(OCc2cc(Cl)ccc2OC)cc(C(=O)OC)c1 12776020 ICQSQJFAHMAFCP-UHFFFAOYSA-N 364.781 3.501 0 40 FHAB CC(=O)Nc1ccc(F)c(NC(=O)COc2ccc(F)c(Cl)c2)c1 12899976 IXQWYELGSIUDDH-UHFFFAOYSA-N 354.740 3.594 0 40 FHAB COc1ccc([C@@H]2CCCCCN2C(=O)CNC(=O)c2cccs2)cc1 12939289 WUBDOFHULCIAMT-KRWDZBQOSA-N 372.490 3.630 0 40 FHAB c1ccc(-c2ccc[n+](CCCC[n+]3cccc(-c4ccccn4)c3)c2)nc1 12943527 CAYRUOIKZPHVBA-UHFFFAOYSA-N 368.484 3.866 0 40 FHAB O=C(Nc1nn2cnnc2s1)c1cc(-c2ccccc2)nc2ccccc12 12976695 AYOBHDBQUFONIJ-UHFFFAOYSA-N 372.413 3.653 0 40 FHAB COc1ccc(OCCN(C)Cc2cc(=O)oc3c(C)c(C)ccc23)cc1 12992547 LFFJUZFEHRBSRI-UHFFFAOYSA-N 367.445 3.929 0 40 FHAB COc1cc(CN(Cc2ccccc2)C[C@@H]2CCCO2)cc(OC)c1OC 13993286 HDJYFTBSBDFGED-IBGZPJMESA-N 371.477 3.894 0 40 FHAB COc1ccc([C@H]2CCCN2Cn2nc3ccccn3c2=S)c(OC)c1 14182891 OUINHPNXTKMFME-MRXNPFEDSA-N 370.478 3.677 0 40 FHAB Cc1ccc(-c2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)[nH]n2)cc1 14287989 CNEHSLLYBRVNHP-UHFFFAOYSA-N 374.488 3.964 0 40 FHAB Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c(F)c1 15314122 ZXRAMWJVARGCOI-UHFFFAOYSA-N 355.818 3.590 0 40 FHAB Cc1cccc(N2CCN(C(=O)c3cccc(Br)c3)CC2)c1 16279073 MTYUPPJXTPOJPH-UHFFFAOYSA-N 359.267 3.720 0 40 FHAB O=C1NC2(CCCCCCC2)C(=O)N1Cc1cc(Cl)c2c(c1)OCO2 16335016 UJLYUVFCTQSSTP-UHFFFAOYSA-N 364.829 3.604 0 40 FHAB O=C(Nc1ccccc1)c1ccccc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)O 17075225 GWLBDEXJQIOVGY-HOTGVXAUSA-N 366.417 3.768 0 40 FHAB CCN(C(=O)Cn1ncc2ccccc2c1=O)c1cccc2ccccc12 17477802 JXNJBLZPVSSRRI-UHFFFAOYSA-N 357.413 3.603 0 40 FHAB Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN2C(=O)c2ccccc2F)on1 19122506 SOIVYQJYOVPPRL-KRWDZBQOSA-N 366.396 3.865 0 40 FHAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)C[C@@H](C)n2ccnc2)n1 19240152 LDHCAHWORXONSH-UKRRQHHQSA-N 360.508 3.761 0 40 FHAB Nc1cc([C@@H]2CCCN(Cc3ccoc3)C2)nc2cc(-c3ccco3)nn12 19342514 IGPXCJSCCTVIAO-OAHLLOKOSA-N 363.421 3.544 0 40 FHAB CCc1nnsc1C(=O)Nc1nc(-c2ccc3c(c2)C[C@H](C)O3)cs1 19521914 QOSPIHUPSNEQQV-VIFPVBQESA-N 372.475 3.800 0 40 FHAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H](C)COc1ccc(OC)cc1 20036109 NACFOPOMXWVSCO-JKSUJKDBSA-N 357.450 3.609 0 40 FHAB Cc1cc(NC(=S)NC(=O)CCC(C)C)ccc1-c1ccc(CO)o1 20151363 LUASXIITEROVSB-UHFFFAOYSA-N 360.479 3.997 0 40 FHAB COc1cc(OC)c(NC(=O)c2noc3c2C[C@@H](C)CC3)cc1Cl 20572102 BLKGXOODLUXDOD-VIFPVBQESA-N 350.802 3.722 0 40 FHAB CCC[C@@H](C(=O)OCc1cc(=O)n2cc(C)ccc2n1)c1ccccc1 21989667 ONOZZYOHRDTFFI-GOSISDBHSA-N 350.418 3.630 0 40 FHAB Cc1sc2ncnc(NCC3(N4CCOCC4)CCCCC3)c2c1C 22344190 UPRSPGFGKCPQMK-UHFFFAOYSA-N 360.527 3.755 0 40 FHAB O=C(COC(=O)Cc1cccs1)Nc1ccc2c(c1)OC1(CCCC1)O2 23552097 DTYCWPHUAVUQEH-UHFFFAOYSA-N 373.430 3.514 0 40 FHAB CCCc1ccc([C@@H](NC(=O)c2ccc(O)nn2)c2cccs2)cc1 24112071 SYEFBJTXECUBEK-GOSISDBHSA-N 353.447 3.716 0 40 FHAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(OC)cc2)cc1 25368602 ZKOYIGFNDCOZBU-ZDUSSCGKSA-N 359.447 3.991 0 40 FHAB COc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1OC(F)F 29326203 WRNKHIOTIKHFLC-UHFFFAOYSA-N 363.769 3.751 0 40 FHAB CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@H]1Cc2ccccc2O1 31089804 CGYXOTHFYHOWBF-MRXNPFEDSA-N 351.324 3.547 0 40 FHAB Cc1ccccc1SCC(=O)NCc1ccc(OC[C@@H]2CCCO2)cc1 32930213 PYDRJIJIFGCFSY-IBGZPJMESA-N 371.502 3.961 0 40 FHAB COc1ccccc1NC(=O)CSCc1cc(=O)c2cccc(F)c2[nH]1 33063842 ZPCKYMXIIAULDQ-UHFFFAOYSA-N 372.421 3.548 0 40 FHAB C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCN(c2ccccc2F)CC1 35848172 CRCDVIVLOUQHIJ-OAHLLOKOSA-N 351.425 3.700 0 40 FHAB Cc1ccc(F)c(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 42986623 PDIQZHBRANHUIA-MRXNPFEDSA-N 359.426 3.536 0 40 FHAB COc1ccc(-c2n[nH]cc2[C@H]2SCC(O)=Nc3[nH]nc(C)c32)cc1 44917355 FAYMJQRNPJUWJX-MRXNPFEDSA-N 355.423 3.541 0 40 FHAB O=C(Cc1coc2ccc3ccccc3c12)NCCC(=O)Nc1ccccn1 45829193 JUIYWMGCKFVLDZ-UHFFFAOYSA-N 373.412 3.669 0 40 FHAB CC(C)(C)OC(=O)NC1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 47524063 VDVIHOQZVWLIMQ-UHFFFAOYSA-N 370.852 3.537 0 40 FHAB C[C@@H](OC(=O)c1ccc2ccccc2c1O)c1nc(-c2cccnc2)no1 48288665 FRMRDDQTJXEGRN-GFCCVEGCSA-N 361.357 3.908 0 40 FHAB CSc1nc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C)c2ccccn12 48325487 YKNUPHSNRMOZIX-ZDUSSCGKSA-N 369.446 3.549 0 40 FHAB CCOc1ccc(CNC(=O)c2ccc(-n3nc(C)c(C)c3C)nc2)cc1 49407437 IQYDWOPPVRXXSI-UHFFFAOYSA-N 364.449 3.521 0 40 FHAB Cc1ccnc(Nc2nc(CC(=O)NCCc3cccs3)cs2)c1 49452323 SOAIFXXJGNCQDZ-UHFFFAOYSA-N 358.492 3.553 0 40 FHAB Cc1nc(NC(=O)c2cc(O)c(OCc3ccccc3)cn2)sc1C 49551144 MHOIPPBYPIYNKH-UHFFFAOYSA-N 355.419 3.692 0 40 FHAB Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H](C)C2)cc1Cl 54363157 ALZVUFHKKPKNOI-SECBINFHSA-N 366.708 3.832 0 40 FHAB CC(=O)N(c1ccc(F)cc1)c1nc(CSc2nc(C)n[nH]2)cs1 54916094 BMZHZQOXBXRIHG-UHFFFAOYSA-N 363.443 3.686 0 40 FHAB O=C(NC1CCN(c2ccccn2)CC1)N[C@@H]1CCc2cc(Cl)ccc21 56940802 YHZHXGLWTWHAGP-GOSISDBHSA-N 370.884 3.691 0 40 FHAB CC[C@@H](C)Oc1cccc(NC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)c1 57070671 DQCHNDAYFNTVQM-HUUCEWRRSA-N 368.433 3.617 0 40 FHAB Cc1c(C(=O)N2CCC[C@H](C(=O)Nc3nccs3)C2)oc2ccccc12 58161702 MASHBXLBLNLKOG-ZDUSSCGKSA-N 369.446 3.689 0 40 FHAB CCS(=O)(=O)c1ccc(C(=O)N2CCCSc3ccccc32)cc1 58194945 HKTLDRPMPBILLX-UHFFFAOYSA-N 361.488 3.623 0 40 FHAB O=C(OCC(=O)N(C1CCCC1)C1CC1)[C@H]1CCCC[C@H]1C(F)(F)F 61742970 MOCMZJKPLARJOA-LSDHHAIUSA-N 361.404 3.832 0 40 FHAB O=C(Nc1ccc(F)cc1)c1oc2ccccc2c1NC(=O)[C@@H]1CCCO1 61997240 WTLLFIMEFUIQAZ-INIZCTEOSA-N 368.364 3.942 0 40 FHAB COc1ccc(-n2ccc(C(=O)Nc3ccc4c(c3)CCCN4C)n2)cc1 64843701 WSRKVJLFSCOEFL-UHFFFAOYSA-N 362.433 3.516 0 40 FHAB COc1ccccc1-c1cc2c(=O)n(Cc3ccc(C)cc3C)ccn2n1 64977350 GBTSXEJSKSTCHP-UHFFFAOYSA-N 359.429 3.837 0 40 FHAB NC(=O)c1ccccc1NC(=O)COC(c1ccccc1)c1ccccc1 65548559 QFNFPIUXBAZCQS-UHFFFAOYSA-N 360.413 3.530 0 40 FHAB CCn1c(CNC(=O)c2cc3ccccc3c(OC)n2)nc2ccccc21 65552004 WWGHQONCZWRIJG-UHFFFAOYSA-N 360.417 3.543 0 40 FHAB Cn1c(CN2CCOC[C@H]2c2nc(-c3ccccc3)c[nH]2)nc2ccccc21 67898639 CBBREOTWTDUOOF-FQEVSTJZSA-N 373.460 3.537 0 40 FHAB biogenic,in-vitro CN1CCC(N(Cc2ccccc2F)C(=O)c2cc(F)ccc2F)CC1 68113656 KBVDMYDGEHDWMY-UHFFFAOYSA-N 362.395 3.841 0 40 FHAB O=C(c1ccc(CSc2ncn[nH]2)cc1)N1CC2C[C@H]3CC1C[C@@H](C2)C3 68467114 SEQYBHDHJIJWMP-SFYZZRBRSA-N 368.506 3.748 0 40 FHAB CCc1cc(=O)[nH]c(-c2ccc(N[C@@H](C)Cc3ccccc3F)nc2)n1 68669760 BTOVZBPTAHSSPV-ZDUSSCGKSA-N 352.413 3.577 0 40 FHAB COc1cc(Cl)ccc1C(=O)N1CCN(c2ccc(C)cc2C)CC1 72331355 QQIPIUQUODFFTP-UHFFFAOYSA-N 358.869 3.928 0 40 FHAB O=C(CCc1nc[nH]n1)N1CC[C@H](c2cccc(Oc3ccccc3)c2)C1 78757876 VNSYQRRKTMTZGS-KRWDZBQOSA-N 362.433 3.546 0 40 FHAB CCCCN(CC)Cc1cccc(CNC(=O)CCCn2ccnc2)c1 79076346 VVSCQHULTRPGRU-UHFFFAOYSA-N 356.514 3.602 0 40 FHAB OC1=Nc2[nH]ncc2[C@H](c2ccc(OCc3ccccn3)cc2)SC1 79480883 LQTCJQIRMVINBJ-KRWDZBQOSA-N 352.419 3.808 0 40 FHAB Cc1nc(N(C[C@@H]2CCCO2)C[C@H]2CCCO2)c2c3c(sc2n1)CCC3 84271682 XVJBJPLNXLUQNK-GASCZTMLSA-N 373.522 3.653 0 40 FHAB Cc1cc([C@H](O)CCNC(=O)c2ccccc2Br)c(C)o1 85561664 OVHAFQAJMCJQAN-OAHLLOKOSA-N 352.228 3.512 0 40 FHAB Cc1ccc(C(=O)N2CCC[C@@H]2C[C@H](C)O)cc1NC(=O)c1ccccc1 95434734 FNAROCKPGXFBPE-QFBILLFUSA-N 366.461 3.623 0 40 FHAB Cc1ccc(CCCC(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)s1 95451216 UZTPGSGFOOOFQC-KSSFIOAISA-N 365.445 3.992 0 40 FHAB Fc1ccc(CN2CCOC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1 96113161 ZLYBLPSSLGRZMX-MRXNPFEDSA-N 370.346 3.519 0 40 FHAB biogenic,in-vitro Cc1cccc(NC(=O)N2CC[C@]3(CCCN(c4ccc(C)nn4)C3)C2)c1 96217030 MCTIJQKYYFQABR-NRFANRHFSA-N 365.481 3.618 0 40 FHAB CC1(C)OC(=O)C2=C1NC(=O)C[C@@H]2c1ccc(-c2ccccc2Cl)o1 101719292 QAKFNTXKQGQUOL-LLVKDONJSA-N 357.793 3.793 0 40 FHAB CC1=CC[C@@H]2C(=O)N(c3ccc(OC(=O)c4cccs4)cc3)C(=O)[C@@H]2C1 102553813 OHUGWADGBUTBRV-JKSUJKDBSA-N 367.426 3.813 0 40 FHAB O=C(CCCN1C(=O)CCc2ccccc21)NC[C@H]1C[C@@H]1c1ccccc1 110442286 QUGRZDYSJAZRKX-WOJBJXKFSA-N 362.473 3.666 0 40 FHAB COc1ccc(NC(=O)c2ccc(N3CC[C@H](OC)C3)cc2)cc1Cl 206767280 RLNOYVBQEDUQSX-INIZCTEOSA-N 360.841 3.826 0 40 FHAB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)CC(F)(F)F)C2)n1 220815679 ZYKRPHJKHLWITN-CYBMUJFWSA-N 367.371 3.779 0 40 FHAB Cc1cc(Cl)ccc1NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 222450811 MKPBJBVFIGWYNH-UHFFFAOYSA-N 366.870 3.605 0 40 FHAB CCNC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2OC)o1 224929334 BFCOQNFWZFCVDK-UHFFFAOYSA-N 352.390 3.776 0 40 FHAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 225096761 SUYQZFJGTYWPLK-OAQYLSRUSA-N 366.505 3.871 0 40 FHAB COc1ccccc1CNC(=S)Nc1ccc(Oc2ccccc2)nn1 225188593 AROXIURLXGPOOI-UHFFFAOYSA-N 366.446 3.764 0 40 FHAB COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1 225313371 KSLPGOAVLRNIQC-UHFFFAOYSA-N 368.458 3.673 0 40 FHAB O=C(NCC[C@@H](O)c1cccc(Cl)c1)c1ccc(Br)o1 225609252 VEPRZABCCBMLBZ-LLVKDONJSA-N 358.619 3.549 0 40 FHAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OC)c(C(=O)OCC)c1 225801920 CXUHAPHKTMEKJN-IBGZPJMESA-N 351.443 3.796 0 40 FHAB COc1ccc2cc(S(=O)(=O)N[C@H](C)c3ccccc3OC)ccc2c1 225875212 UKKZZLDTADUANF-CQSZACIVSA-N 371.458 3.897 0 40 FHAB CCCCc1ccc(-n2nc(C(=O)C(C)(C)C)cc(C(=O)O)c2=O)cc1 225968688 IFVHYKLMALVDPH-UHFFFAOYSA-N 356.422 3.502 0 40 FHAB COc1ccc(-c2cnn(CCCC(=O)Nc3nc(C)cs3)c2)cc1 227166554 IGERXZLLVROQJV-UHFFFAOYSA-N 356.451 3.743 0 40 FHAB CCN(C)[C@@H]1CN(C(=O)CCc2ccc(OC)cc2)C2(CCCCC2)C1 257239219 HOLBDFOSOPORRF-IBGZPJMESA-N 358.526 3.883 0 40 FHAB COc1ccccc1C(=O)N1C[C@H]2[C@@H](Oc3ccccc3F)CC[C@H]2C1 257325820 WUOHIJXPLDJFOK-GMBSWORKSA-N 355.409 3.764 0 40 FHAB CC(C)c1nc2c(s1)CN(C)CC21CCN(Cc2cccnc2)CC1 306124003 BCYFOMFQAGUDOM-UHFFFAOYSA-N 356.539 3.641 0 40 FHAB CCOc1ccccc1-c1nc(SCC(=O)Nc2ccc(F)cc2)n[nH]1 408527433 NURQNHQZTFFAGR-UHFFFAOYSA-N 372.425 3.740 0 40 FHAB COc1cc(-c2noc(CN3CCC[C@H]3c3ccccn3)n2)ccc1C 533025606 FZJONJQEDJEKEV-KRWDZBQOSA-N 350.422 3.786 0 40 FHAB Cc1c[nH]nc1C(=O)N1CCC[C@]1(C)Cc1ccc(OC(F)(F)F)cc1 618237419 AQRKAOOCAFBCTI-QGZVFWFLSA-N 367.371 3.854 0 40 FHAB CC(=O)N1CCCCCCCCN(C(=O)c2cnc[nH]2)Cc2ccccc21 643569343 DBMMVZKLQNTEGC-UHFFFAOYSA-N 368.481 3.759 0 40 FHAB CC(C)C[C@H](C(=O)N[C@@H](CC(F)(F)F)C(=O)O)c1ccc(Cl)cc1 659150781 GBEAWMNFOBRIMW-STQMWFEESA-N 365.779 3.992 0 40 FHAB O=C(NCC1(c2ccsc2)CCOCC1)c1ccc(C(F)(F)F)nc1 952986153 HXXJWWPZEZYISG-UHFFFAOYSA-N 370.396 3.640 0 40 FHAB Cc1cnn(CC2CC2)c1NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1 1324046437 FYWZRZROMJLQCT-OAHLLOKOSA-N 358.873 3.720 0 40 FHAB CCN1C[C@@H](NC(=O)c2cc(-c3ccc4ccccc4c3)[nH]n2)C(C)(C)C1 1652602779 HTJNHQVJULQEBL-HXUWFJFHSA-N 362.477 3.690 0 40 FHAB CC1=CC(C)(C)N2C(=O)[C@](O)([C@@H]3CCCCCC3=O)c3cc(F)cc1c32 1740816451 HGMPVNYXQMLSRV-VFNWGFHPSA-N 357.425 3.705 0 40 FHAB COc1cccc(NC(=O)[C@H](C)Oc2cccc(Br)c2)c1 934652 SHWAUDDMVZQDNT-NSHDSACASA-N 350.212 3.864 0 40 FHAB Cc1cccc2[nH]c3c(N4CCN(c5ccccc5F)CC4)ncnc3c12 2222442 VPZPNDTZNBGPKS-UHFFFAOYSA-N 361.424 3.885 0 40 FHAB COC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccc(C(C)C)cc1 2503530 IMKSEEFHZBOXFX-BLLLJJGKSA-N 358.463 3.632 0 40 FHAB Cc1ccn([C@@H](C)c2nnc(Nc3ccn(Cc4ccccc4)n3)s2)n1 2731297 REWFPUPYHVQJKX-AWEZNQCLSA-N 365.466 3.641 0 40 FHAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1C 3479877 MTUQSOXATSZPJN-INIZCTEOSA-N 374.506 3.517 0 40 FHAB Cc1ccc(-n2ncc3c(=O)n(Cc4ccc(Cl)cc4)cnc32)cc1 4165860 SXPFHNGIMIXLCG-UHFFFAOYSA-N 350.809 3.592 0 40 FHAB COc1ccc(-n2nnc3c(SCc4ccc(C)cc4)ncnc32)cc1 4166780 PWEBDCUVUNAZGB-UHFFFAOYSA-N 363.446 3.820 0 40 FHAB O=C(Nc1cccc(-c2cn3c(n2)SCC3)c1)c1ccc2c(c1)OCO2 4249049 OBEIMTKNOOWYOM-UHFFFAOYSA-N 365.414 3.637 0 40 FHAB COc1ccc2nc(S[C@@H](C)C(=O)c3ccc(NC(C)=O)cc3)[nH]c2c1 4252305 WAIOUYSCNYMYAD-NSHDSACASA-N 369.446 3.893 0 40 FHAB CCOC(=O)c1c(N2C(=O)C=CC2=O)sc2c1CC[C@@H](C(C)(C)C)C2 4291728 RYDUIBQJGBTGOR-LLVKDONJSA-N 361.463 3.505 0 40 FHAB COc1cccc(NC(=O)CCCc2nc(-c3cccc(OC)c3)no2)c1 4434116 ZXNXSNGMGDLOJI-UHFFFAOYSA-N 367.405 3.715 0 40 FHAB O=C1[C@@H]2CS[C@H](c3ccc(F)cc3)N2C(=S)N1c1ccc(F)cc1 4704062 OIBIAJNKACOXMB-GOEBONIOSA-N 362.426 3.713 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 4950251 WYZCXOHCLOYOKR-HNNXBMFYSA-N 358.401 3.802 0 40 FHAB O=C(CCn1c(=O)oc2ccccc21)Nc1nc(-c2ccccc2)cs1 5000823 WNORIFRILWJKBJ-UHFFFAOYSA-N 365.414 3.747 0 40 FHAB CO[C@@H]1OC[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]1SCc1ccccc1 5048031 WQVNBEOWEQNGAD-XMTFNYHQSA-N 350.480 3.736 0 40 FHAB Cc1ccc(-c2nnc(NC(=O)c3cc4ccccc4oc3=O)o2)c(C)c1 5169613 CNTMQUAUJXNYJY-UHFFFAOYSA-N 361.357 3.712 0 40 FHAB COc1ccc(CC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC 5444033 MZBNCRXVRJERHZ-YMXMSLLWSA-N 357.494 3.967 0 40 FHAB NC(=O)CSc1nc(-c2ccc(Br)cc2)nc2ccccc12 5583083 KQPCEIFAKNKDLV-UHFFFAOYSA-N 374.263 3.637 0 40 FHAB Cc1ccccc1-c1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1C 5861290 DEWCOSXEDOFXOV-HNNXBMFYSA-N 366.490 3.760 0 40 FHAB CCCNc1c(NC(=O)Cc2ccc(OC)cc2)c(=O)oc2ccccc12 6917527 VICWJNVTVOCWIY-UHFFFAOYSA-N 366.417 3.805 0 40 FHAB O=C(OCc1nc(-c2cccs2)no1)c1ccc(OC(F)F)cc1 7046980 UJRNVSFXMBKKAO-UHFFFAOYSA-N 352.318 3.757 0 40 FHAB CCN(CC)C(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 7408351 UFGQDFSQYMQVMI-AWEZNQCLSA-N 358.413 3.714 0 40 FHAB Cc1cccc(NC(=O)NC[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 9040149 KCJAPXQDBZDIHU-AWEZNQCLSA-N 357.841 3.823 0 40 FHAB O=C(Cc1csc(NC(=O)c2cccs2)n1)Nc1ccc(F)cc1 9114699 XEOVZYSHSGACCV-UHFFFAOYSA-N 361.423 3.777 0 40 FHAB CCN(CC)c1ccc(NC(=O)[C@H]2Cc3ccc(Cl)cc3C(=O)O2)cc1 9668255 GQKTZBHCAPIZAF-GOSISDBHSA-N 372.852 3.906 0 40 FHAB COc1ccc(CNC(=O)Cc2csc(-c3ccc(OC)cc3)n2)cc1 9689994 ARRVJEKQEKSXSX-UHFFFAOYSA-N 368.458 3.686 0 40 FHAB CCc1ccc(C(=O)CN2C(=O)[C@H](C)N(c3ccc(Cl)cc3)C2=O)cc1 9721152 RLXODMFOLFKMNP-ZDUSSCGKSA-N 370.836 3.942 0 40 FHAB Cc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1-n1cccc1 10273109 LXVCXRCXJXYGQR-UHFFFAOYSA-N 359.429 3.930 0 40 FHAB CC1CCN(CCCNC(=O)COc2ccc(Cl)cc2Cl)CC1 10540200 KBRCDCNAYSAQTD-UHFFFAOYSA-N 359.297 3.610 0 40 FHAB O=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc2c(c1)CCC2 11146212 MYWDPQOKNJIFRX-UHFFFAOYSA-N 360.413 3.951 0 40 FHAB CN(C)c1ccc(CCNC(=O)COc2ccc(C(C)(C)C)cc2)cc1 11693622 YGRNPZZXCVGCEJ-UHFFFAOYSA-N 354.494 3.788 0 40 FHAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(Br)s1 11916441 MNXFDMDXSPWWRQ-UHFFFAOYSA-N 365.252 3.890 0 40 FHAB COc1cc(-c2c/c(=N\C[C@H]3CCCO3)c3ccccc3o2)ccc1O 12419104 HGPDZYFENFMJGK-HDHZYAPQSA-N 351.402 3.894 0 40 FHAB biogenic,in-vitro COc1cccc([C@@H]2C[C@@H](c3ccccc3Cl)Nc3nc(N)nn32)c1 12469149 QFOZXJJXXRICQD-HOTGVXAUSA-N 355.829 3.669 0 40 FHAB C/C=C/C=C/C(=O)OCc1csc(CC(=O)Nc2ccccc2C)n1 12785123 PBWAOTXRTPQDCY-COBAKMAKSA-N 356.447 3.808 0 40 FHAB O=C(CSc1ccccc1C(=O)NC1CCCCC1)NCc1ccco1 13039554 NRRZKTFBYJWZBW-UHFFFAOYSA-N 372.490 3.751 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)N(C)Cc3ccsc3)n2C)cc1 13985524 VMCINFVXPMYGSU-UHFFFAOYSA-N 372.519 3.603 0 40 FHAB Cc1ccc(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1F 14136930 YYFQBFUBTGDVIZ-UHFFFAOYSA-N 359.382 3.617 0 40 FHAB Cc1ccc(SCC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c(C)c1 14182018 MHXCBGGIGJQMLT-INIZCTEOSA-N 366.490 3.854 0 40 FHAB O=C(Nc1ccc(Br)cc1)c1cccc(CN2CCCC2=O)c1 14189612 KRGKBVULKFGYSB-UHFFFAOYSA-N 373.250 3.824 0 40 FHAB COc1ccccc1N1C[C@H](C(=O)Nc2c(C)cc(C)cc2C)CC1=O 14426283 VNMCOFXRZMSLMQ-MRXNPFEDSA-N 352.434 3.612 0 40 FHAB COc1ccc(C[C@H]2C(=O)Nc3ccc(Br)cc32)c(OC)c1 15017940 JSQKWKBQFOOFPZ-CQSZACIVSA-N 362.223 3.745 0 40 FHAB CSCC[C@@H](NC(=O)c1cccc(Cl)c1)c1nnc2ccccn12 15971997 QOQVJTFBBGZPOW-CQSZACIVSA-N 360.870 3.607 0 40 FHAB O[C@@H](c1ccccc1)n1c(=S)sc(=S)n1[C@H](O)c1ccccc1 18140344 MPHYXTLFUUJVBN-OKILXGFUSA-N 362.501 3.888 0 40 FHAB Cc1nc(C)n(C[C@H](C)C(=O)N[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)n1 19285931 UEKXWGMCTCTPBI-CARQKBIPSA-N 366.509 3.620 0 40 FHAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)[C@H]3CCCO3)c2)cc1 19691354 VBEYWFIVBYMFCK-LEWJYISDSA-N 366.461 3.908 0 40 FHAB Cc1nc([C@H]2CCCCN2C(=O)c2ccccc2)nc2c1CCCN2C 19706789 ZMASFUMZMWKNEA-GOSISDBHSA-N 350.466 3.535 0 40 FHAB COc1ccc(CSCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 20457441 HRTWXDFBLZAANY-UHFFFAOYSA-N 370.474 3.694 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(CN2CCCC2=O)cc1 20462227 ZOTIAMRXARTZNL-KRWDZBQOSA-N 350.462 3.560 0 40 FHAB C[C@@H]1CCC[C@@H](N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)C1 20569778 UNBUUESLNYKJKW-WIYYLYMNSA-N 366.505 3.942 0 40 FHAB Cc1noc(C)c1CSCC(=O)Nc1nc2ccc(F)cc2s1 23079935 IYALDCPSUYIUJK-UHFFFAOYSA-N 351.428 3.912 0 40 FHAB O=C(c1n[nH]c2ccccc12)N1CCN(Cc2cccc3ccccc23)CC1 23883109 VOGYKDNHRWPLNW-UHFFFAOYSA-N 370.456 3.674 0 40 FHAB O=C(CCCOc1ccccc1)NCc1ccc(CN2CCCC2)cc1 24115111 CSSZVWRSIZFXMK-UHFFFAOYSA-N 352.478 3.758 0 40 FHAB Cc1cc(C(=O)NCCCO[C@@H](C)c2ccccc2)c2c(C)noc2n1 24929402 RXYULEDNRCZODT-HNNXBMFYSA-N 353.422 3.737 0 40 FHAB CSc1ncc(Br)c(C(=O)Nc2cccc(Cl)c2)n1 27742939 AJAWLPNCLHIDOP-UHFFFAOYSA-N 358.648 3.867 0 40 FHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(-n2ccnc2)cc1 30871116 NMCXRJPOEFXFHN-FQEVSTJZSA-N 363.461 3.963 0 40 FHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)[C@@H](C)OCC(F)(F)F)cs1 31713097 BBERQXNDDBGBRL-SNVBAGLBSA-N 370.396 3.975 0 40 FHAB Cc1c(-c2ccccc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccccc1F 32102381 RFFASGGAIXYRGR-INIZCTEOSA-N 364.380 3.520 0 40 FHAB CC(C)C[C@@H](NC(=O)[C@H]1CCCN(c2ncccn2)C1)c1ccccc1 32795623 JXENQXCFQAQRFF-RBUKOAKNSA-N 352.482 3.597 0 40 FHAB COc1cccc(NC(=O)CNc2cccc(NC(=O)C(C)(C)C)c2)c1 32909078 MQWHHHLTGWUGPJ-UHFFFAOYSA-N 355.438 3.730 0 40 FHAB Cc1ccc(C(=O)N[C@H](C)c2ccc(Cl)s2)cc1NS(C)(=O)=O 33193494 YWELJPKCMSTVEW-SNVBAGLBSA-N 372.899 3.572 0 40 FHAB Cc1ccc2[nH]c3c(SCC(=O)NCc4ccccc4)ncnc3c2c1 33298679 NYDYMDOPISUAIK-UHFFFAOYSA-N 362.458 3.828 0 40 FHAB O=C(Cc1csc(COc2ccccc2)n1)NCCc1ccc(F)cc1 33326166 ASGIMMJDWITGOA-UHFFFAOYSA-N 370.449 3.763 0 40 FHAB O=C(CSc1ccccc1F)N1CCC[C@H]1c1nnc2n1CCCCC2 40080183 JBJXPEKBHYTLLN-HNNXBMFYSA-N 374.485 3.599 0 40 FHAB COc1ccc(S[C@H](C)C(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1 44847795 QGLPVVUUDCRGQV-YESZJQIVSA-N 364.555 3.660 0 40 FHAB CC[C@H](Oc1cccc(C)c1C)C(=O)N1CCN(c2ccccc2)CC1 44903830 JCVNGOIPUQMEMO-FQEVSTJZSA-N 352.478 3.810 0 40 FHAB O=C(O)CCCn1c(/C=C/c2ccccc2F)nc2ccccc2c1=O 46102290 BNCKGZRRSPDOHV-VAWYXSNFSA-N 352.365 3.571 0 40 FHAB O=C(CSc1nccc(N2CCCC2)n1)Nc1ccc(Cl)cc1F 49399625 NAXPDXKGCQXPIN-UHFFFAOYSA-N 366.849 3.600 0 40 FHAB CCc1cc(=O)n(CC(=O)Nc2ccccc2Cl)c(-c2ccccc2)n1 57527068 GJIKNTVBRHVKSN-UHFFFAOYSA-N 367.836 3.765 0 40 FHAB COc1ccc([C@@H](CNC(=N)NCc2ccccc2)N2CCCCC2)cc1 58112146 LHEWNSAQXJQRPO-OAQYLSRUSA-N 366.509 3.536 0 40 FHAB C[C@@H](Sc1ccccc1Cl)C(=O)N(CCO)Cc1ccsc1 58202248 POCVVEUGNJRGAI-GFCCVEGCSA-N 355.912 3.903 0 40 FHAB O=C(Nc1cccc(Cl)c1Cl)c1cc(Cl)ccc1-n1cnnn1 58778777 WBZYRVMDQDMWPX-UHFFFAOYSA-N 368.611 3.875 0 40 FHAB Cc1ccccc1N(C(=O)c1nn(-c2ccc(F)cc2)ccc1=O)C(C)C 68107021 UNMKCYWABFUSCD-UHFFFAOYSA-N 365.408 3.735 0 40 FHAB O=C(CCc1nc(-c2cccc(F)c2)no1)N[C@@H]1CCc2ccccc21 72332178 VRXXQLQHLKLFOV-QGZVFWFLSA-N 351.381 3.612 0 40 FHAB COc1cc(OC)cc([C@H]2CC(O)=Nc3c2cnn3Cc2ccco2)c1 72405217 SXEUDYHFGVRIQF-MRXNPFEDSA-N 353.378 3.665 0 40 FHAB CC(C)N(C(=O)CN(C#N)c1ccc(F)c(Br)c1)C(C)C 78990051 KWSJQKOJINXLKN-UHFFFAOYSA-N 356.239 3.521 0 40 FHAB C[C@@H]1Sc2ccccc2N(S(=O)(=O)c2cc(C(=O)O)cs2)[C@@H]1C 79105854 KSJHSQKNFXNGPZ-ZJUUUORDSA-N 369.489 3.524 0 40 FHAB Cc1nn(Cc2ccccc2)c(Cl)c1CNc1cnn(CC(F)F)c1 84014137 WGDCCSNXYGDPEM-UHFFFAOYSA-N 365.815 3.967 0 40 FHAB CCc1noc(CC)c1CC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 87372296 GLGZIZBTFSSPKZ-LJQANCHMSA-N 355.482 3.772 0 40 FHAB CCOc1cc(-c2n[nH]c([C@@H](N)c3ccc(Cl)cc3)n2)ccc1OC 95534057 QOCASWPUAFLPSS-INIZCTEOSA-N 358.829 3.581 0 40 FHAB Cc1ccc([C@H]2CCC[C@H]2OC(=O)C2CCN(c3cnccn3)CC2)cc1 95963148 KQHBLNZXJKMEJZ-WOJBJXKFSA-N 365.477 3.881 0 40 FHAB CCOc1ccc(NC(=O)Nc2ccc3c(c2)CN(C(=O)OC)CC3)cc1 96096291 DWIIGUFWEVLMON-UHFFFAOYSA-N 369.421 3.854 0 40 FHAB CCOC[C@H]1CN(C(=O)C2=CCCC2)Cc2cnn(CC3CCCC3)c21 96198450 PYGNCXDIIILHKC-LJQANCHMSA-N 357.498 3.646 0 40 FHAB O=C(Nc1cccnc1)[C@@H]1C[C@@]12CCN(C(=O)Nc1ccc(Cl)cc1)C2 96226844 ZBKYFJLLRAAIBF-QFBILLFUSA-N 370.840 3.618 0 40 FHAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C3CC3)CC2)n1 100738803 OJSMYACKXYQXGW-WOVMCDHWSA-N 350.466 3.647 0 40 FHAB O=C(O)c1cn(C2CCCCCC2)cc2c(=O)n(-c3ccccc3)nc1-2 101714175 DYZKETUOSMGANW-UHFFFAOYSA-N 351.406 3.732 0 40 FHAB CCN(c1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1)S(=O)(=O)CC 113964132 DHHZTXAIMIWKOC-UHFFFAOYSA-N 360.479 3.732 0 40 FHAB O=C(N[C@H]1CCN(c2ccccn2)C1)C1(c2ccc(Cl)cc2)CCCC1 152483228 LFVADGKSLFZGQN-SFHVURJKSA-N 369.896 3.942 0 40 FHAB O=C(O)c1ccc2oc(-c3ccc(I)cc3)nc2c1 159667756 PTCGLYBIJDUHMB-UHFFFAOYSA-N 365.126 3.798 0 40 FHAB Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2ccc3c(c2)OCCO3)cc1 173479019 KXEDIXJTMLVMAZ-WIYYLYMNSA-N 367.445 3.664 0 40 FHAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(CN3CCOCC3)cc2)cc1C 223399395 WDNOOMZKOINEDD-IBGZPJMESA-N 366.505 3.935 0 40 FHAB CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CC 223407613 VOVJARCQPAGZAE-IBGZPJMESA-N 358.869 3.956 0 40 FHAB COC(=O)c1cc(S(=O)(=O)Nc2ccc3ccccc3c2)ccc1C 223796532 WEOYDTZQYMSEDJ-UHFFFAOYSA-N 355.415 3.736 0 40 FHAB Cc1cccc(OCCNC(=O)c2ccc(CN3CCCC3)cc2)c1C 223929148 USZRQIFQHLHSOZ-UHFFFAOYSA-N 352.478 3.708 0 40 FHAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)Cc1ccccc1 224053241 ZSWYFAHYCNXLLP-MRXNPFEDSA-N 370.468 3.700 0 40 FHAB COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1cc(C)cc(C)c1 224191026 MVKYWEFHIOTTMJ-IBGZPJMESA-N 369.461 3.800 0 40 FHAB CCC(C)(C)NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1 224263783 PFEHWZIGHJOFDA-UHFFFAOYSA-N 374.506 3.739 0 40 FHAB COc1ccc(OCC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 225129237 PWEOGZRQQQWOGA-UHFFFAOYSA-N 372.446 3.670 0 40 FHAB Cc1cc(C)cc(NC(=S)N2CCN(C3Cc4ccccc4C3)CC2)c1 225209971 XUBZPHPLKSTRPL-UHFFFAOYSA-N 365.546 3.785 0 40 FHAB COc1ccc(OC[C@H](C)NC(=S)Nc2ccc(F)cc2F)cc1 225266148 PSQZUNKFGUYQAI-NSHDSACASA-N 352.406 3.727 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)OCC1(CC1)CO2 225367928 HMGAMYQNULYCIO-INIZCTEOSA-N 351.446 3.989 0 40 FHAB CO[C@@H](CNS(=O)(=O)c1ccc(F)cc1C)c1ccc(Cl)s1 225705766 ASZOZCAVRCTGQX-NSHDSACASA-N 363.863 3.515 0 40 FHAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)C(CC)CC)CCO2)n1 257262129 LKEURRZVNMTQAT-IBGZPJMESA-N 371.481 3.944 0 40 FHAB Cc1cc(CC2CCN(C(=O)c3ccc(CN(C)C)cc3)CC2)ccn1 257327917 XDJFFHQBMUOVMH-UHFFFAOYSA-N 351.494 3.547 0 40 FHAB Cc1ccc(C(C)C)c(OCCn2cc(C(=O)C(N)=O)c3ccccc32)c1 408571282 OFANNCFXTRDAJZ-UHFFFAOYSA-N 364.445 3.820 0 40 FHAB COCCNC(=S)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 408577415 SMCDYDRSMWVUBF-UHFFFAOYSA-N 365.882 3.839 0 40 FHAB CCc1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 408707190 KMKXPBAMGHDYIF-UHFFFAOYSA-N 351.233 3.811 0 40 FHAB CCc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 408708141 OKDIVAIMMGQSJM-LJQANCHMSA-N 350.462 3.535 0 40 FHAB CCOc1cc(CCC(=O)N[C@H]2[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)on1 409412773 BSFMKTVEJCXMPP-DEPWHIHDSA-N 354.450 3.704 0 40 FHAB COc1cc2c(cc1OC)[C@H](NC(=O)CCc1c[nH]c3ccccc13)CC2 524731732 IVYBWDNBQHRZPU-LJQANCHMSA-N 364.445 3.921 0 40 FHAB biogenic Cn1cc([C@@H]2CCCCN2C(=O)c2ccc(O[C@@H]3CC3(F)F)cc2)cn1 529096946 LHIPWMXWUHMULQ-DLBZAZTESA-N 361.392 3.574 0 40 FHAB CN1CCC(Oc2ccc(CNC(=O)c3cc4[nH]ccc4s3)cc2)CC1 551355461 FDXIIVBFYCRXCN-UHFFFAOYSA-N 369.490 3.632 0 40 FHAB O=C(NCc1nccnc1-c1cccs1)Nc1nc(C2CC2)cs1 575619253 BNLABFVMIVSTBO-UHFFFAOYSA-N 357.464 3.861 0 40 FHAB CCC[C@@]1(CO)CCN(C(=O)c2ccc(OC3CCC3)cc2Cl)C1 585085114 GZHSBGVQMANVQW-LJQANCHMSA-N 351.874 3.896 0 40 FHAB CCOc1ccc([C@H](COC)NC(=O)N2C[C@@H](C)C(F)(F)[C@H](C)C2)cc1 585123254 MTBBCVYYHADJKP-CPUCHLNUSA-N 370.440 3.706 0 40 FHAB COc1cccc(Oc2ccc(C(=O)N3CCC(SC)CC3)nc2)c1 601687787 ARMDYAIVBBQYAZ-UHFFFAOYSA-N 358.463 3.850 0 40 FHAB CC(C)(C)n1nnc(C(=O)N2CC3(CCCC3)c3cccc(Cl)c32)n1 622853588 HIZVJMAPAXMNRK-UHFFFAOYSA-N 359.861 3.554 0 40 FHAB O=C(NC1(c2ccc(F)cc2)CCC1)[C@H]1CCCN(Cc2cccnc2)C1 623644686 GSNWWKQSGPPJTA-SFHVURJKSA-N 367.468 3.628 0 40 FHAB Cc1cccc(C(=O)N[C@]2(C(=O)O)CCc3ccccc32)c1CC(C)C 685939943 AJDBNVHUAMMPNJ-JOCHJYFZSA-N 351.446 3.850 0 40 FHAB CCc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc1 1519666178 ZKXJUZZNAPVZFL-AWEZNQCLSA-N 360.816 3.577 0 40 FHAB CC(C)c1cc([C@H]2CCCN(C(=O)c3ccc(OCC4CC4)nc3)C2)n[nH]1 1637409452 RNHADEORVBKOOI-KRWDZBQOSA-N 368.481 3.737 0 40 FHAB O=C([C@H]1CCCN(c2nccc3sccc23)C1)N1CCC(F)(F)CC1 2298200117 AJFWBHQWXNQEPN-ZDUSSCGKSA-N 365.449 3.770 0 40 FHAB CCN(CC)C1=NC(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)S1 22195073 UXELVSVNEFJDDJ-INIZCTEOSA-N 355.463 3.508 0 40 FHAB C[C@@]1(c2cccs2)NC(=O)N(Cc2csc(Br)c2)C1=O 47354555 KVZDSFDLXXOVIF-ZDUSSCGKSA-N 371.281 3.539 0 40 FHAB Cc1cccc(OCCNC(=O)c2ccc(COCC(F)(F)F)cc2)c1 22236230 AJGIJFLPSVCSSB-UHFFFAOYSA-N 367.367 3.883 0 40 FHAB COc1c(OC[C@@H](O)CN2CCCCC2)c2c(C)coc2c2ccoc12 1587020 ZYHCHTRKHCAAPA-AWEZNQCLSA-N 359.422 3.722 0 40 FHAB CCc1cccc(CC)c1NC(=O)COC(=O)c1cc(OC)cc(OC)c1 1993614 OIQXNMAIAQSXCQ-UHFFFAOYSA-N 371.433 3.624 0 40 FHAB CC(C)c1nc2ccc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)cc2s1 103879398 SKNBJHMOHFYNME-QMMBQJITSA-N 356.447 3.881 0 40 FHAB O=c1cc(CSc2nnc(Nc3ccccc3)s2)nc2sccn12 3332999 CVSQXLKBEXFLKJ-UHFFFAOYSA-N 373.488 3.643 0 40 FHAB Cc1ccc([C@@H](C)N(C)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)cc1 47580560 AXPFHMPGIGDMEW-MRXNPFEDSA-N 369.465 3.687 0 40 FHAB COc1cc(NC[C@@](C)(O)CN2CCC[C@@H](C)[C@H]2C)c2ncccc2c1 4522440 RDWVATZAASWVFR-WHSLLNHNSA-N 357.498 3.527 0 40 FHAB Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1cc(Cl)ccc1Cl 6961483 CLWRPXUZMDOXGZ-VGOFMYFVSA-N 364.232 3.923 0 40 FHAB CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 986242 AJDVYYRNMDISAN-UHFFFAOYSA-N 366.870 3.669 0 40 FHAB CN(Cc1ccc(F)cc1)C(=O)CSc1nnc(-c2ccccc2)o1 8281730 XBKXILZZDJOUIN-UHFFFAOYSA-N 357.410 3.626 0 40 FHAB Cc1ccc(NC2=NN=C(c3ccc4c(c3)CC(=O)N4)CS2)c(C)c1 12591557 LRYHMJMIJBHICT-UHFFFAOYSA-N 350.447 3.717 0 40 FHAB O=C1c2ccccc2N[C@H](c2ccc3c(c2)OCCO3)N1CC(F)(F)F 12543053 UUCYCNPKSKLULD-INIZCTEOSA-N 364.323 3.587 0 40 FHAB Cc1cccc(-c2noc([C@@H]3[C@H]4CC[C@@H](C4)N3C(=O)c3cccnc3)n2)c1 100219994 KPLJPHKINSQBPT-WBAXXEDZSA-N 360.417 3.806 0 40 FHAB CC[C@@H](NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)C12CC3CC(CC(C3)C1)C2 102439734 ZIKIKSLUCHHXPD-XJZHSZGKSA-N 357.494 3.621 0 40 FHAB O=C(NC1CCC(O)CC1)N1CCCC[C@@H]1c1nc2ccccc2s1 42961263 HOSDDKUPCGDVPP-ZBCRRDGASA-N 359.495 3.836 0 40 FHAB Cc1c(NC(=O)CC2(CC(=O)O)CCCCC2)cccc1N1CCCC1=O 55150632 UWCIMWDOOXDSMQ-UHFFFAOYSA-N 372.465 3.876 0 40 FHAB CCc1cc(C(=O)N2CCC(C(=O)Nc3ccncc3)CC2)sc1C 24703449 DLPLSWJTWJAXPZ-UHFFFAOYSA-N 357.479 3.505 0 40 FHAB Cc1nc(CCNC(=O)Nc2cccc(-c3nc(C4CC4)no3)c2)cs1 48278160 OFRXGZYDAFFNAD-UHFFFAOYSA-N 369.450 3.743 0 40 FHAB Cc1ccc([C@H](CNC(=O)CCOc2ccc(C)c(C)c2)N(C)C)cc1 58159881 YYFAIFQQEKHYFQ-NRFANRHFSA-N 354.494 3.800 0 40 FHAB COc1ccc(Oc2ccc(CNC(=O)c3cccc4cn[nH]c34)cn2)cc1 48236032 SJZVPPIDFQPIQJ-UHFFFAOYSA-N 374.400 3.689 0 40 FHAB Cc1ccc(NCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1Cl 57523841 GGNLKABLSBYCHJ-UHFFFAOYSA-N 359.857 3.536 0 40 FHAB CN(C)C1(CNC(=O)c2cc(-c3cccc(F)c3)no2)CCCCCC1 48234493 COMOOAMWEAJDIK-UHFFFAOYSA-N 359.445 3.865 0 40 FHAB CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 103718583 HTZDDPNUPZMERB-MRXNPFEDSA-N 352.434 3.775 0 40 FHAB COc1ccc(N2CCCN=C2NC(=O)c2cccc(C)c2)cc1Cl 28535554 LQDIJAPVFSTOAJ-UHFFFAOYSA-N 357.841 3.653 0 40 FHAB COC(=O)[C@@H]1CC(=O)N(c2ccc3oc(-c4ccccc4Cl)nc3c2)C1 57327320 SDLPOFLNGLETMV-LLVKDONJSA-N 370.792 3.674 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@@H]2CCSc3c(F)cccc32)c(C)c1 12735190 TYMNXCAFBJYMNF-OAHLLOKOSA-N 351.468 3.958 0 40 FHAB COc1ccc(C(=O)[C@H](C)Sc2nncn2-c2ccccc2)cc1OC 58209567 YUKYRWNCFQXWSD-ZDUSSCGKSA-N 369.446 3.648 0 40 FHAB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1cccc(C)c1 2209991 RGJXUKYHJLZXRT-LJQANCHMSA-N 360.417 3.576 0 40 FHAB COc1ccc(CN2C[C@@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 28404691 SNFSSTRJHYLMBT-HNNXBMFYSA-N 372.852 3.644 0 40 FHAB COc1ccc(NC(=O)CN(C)Cc2nc(-c3cccs3)oc2C)cc1 11051345 ALWGLAZJILTNBZ-UHFFFAOYSA-N 371.462 3.791 0 40 FHAB O=C1O[C@H](C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)Cc2ccccc21 11075901 GMOMUDWNCUMGEV-NRFANRHFSA-N 372.424 3.565 0 40 FHAB Cc1ccc(CCC2CCN(C(=O)NC3CCN(C4CC4)CC3)CC2)cc1 45409440 XDBRDNODJYDQKR-UHFFFAOYSA-N 369.553 3.976 0 40 FHAB Cc1nn(C)c(C)c1CC(=O)Nc1ncc(Cc2ccccc2Cl)s1 11165217 KGKUHYBASIGGTE-UHFFFAOYSA-N 374.897 3.919 0 40 FHAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc2c(F)cccc2s1 36726432 IVVRNYVHLXDTQE-LBPRGKRZSA-N 357.406 3.952 0 40 FHAB COc1ccc(/C=C/C(=O)OCC(=O)c2cc3ccccc3o2)cc1OC 2655485 IMXQYMDORGCOOC-CSKARUKUSA-N 366.369 3.889 0 40 FHAB COc1ccc(C(=O)CSc2nnc(C)n2-c2ccccc2)cc1OC 3409674 WCMOBLFUFCCNJJ-UHFFFAOYSA-N 369.446 3.568 0 40 FHAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(N2CCCC2=O)cc1 29379406 JHPJRFAGAOHAAE-ZDUSSCGKSA-N 358.825 3.873 0 40 FHAB O=C(C[C@@H]1CCCN1CC(=O)N1CCCCCCC1)c1ccc(F)cc1 84387582 WSLIQPZBCCCXRX-IBGZPJMESA-N 360.473 3.656 0 40 FHAB O=C(Nc1ccc(OC(F)F)c2ncccc12)N1CCCSCC1 84490547 VPAUPJTUTWIOQN-UHFFFAOYSA-N 353.394 3.807 0 40 FHAB CCOc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccncc2)cc1 4329891 ACBOVCDNZJLCTJ-FQEVSTJZSA-N 362.433 3.919 0 40 FHAB CCOC1CCN(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)CC1 95367752 YSNXWAZUVFDKMN-UHFFFAOYSA-N 359.392 3.804 0 40 FHAB Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N3CCOCC3)cc12 14139400 QCFPXHSFHOHGLN-UHFFFAOYSA-N 361.854 3.521 0 40 FHAB CC(=O)Nc1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1Cl 14123189 LRDKUYUQVWSRLO-UHFFFAOYSA-N 358.825 3.805 0 40 FHAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(Oc2ccc(Cl)cc2)c1 5782701 YBBDYDKOFSBZCB-QGZVFWFLSA-N 372.808 3.933 0 40 FHAB CCn1c(S[C@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccccc1 4814736 ZBAXVIWHJKNKAE-GFCCVEGCSA-N 373.507 3.849 0 40 FHAB COc1ccc(-c2nc(CC(=O)NCc3ccccc3C)cs2)cc1 9364809 HMUPBKUUNIADTJ-UHFFFAOYSA-N 352.459 3.986 0 40 FHAB Cc1ccc2nc(CSc3nc4sc(C)cc4c(=O)n3C)[nH]c2c1 4911343 DYNGKUZXEDIYRS-UHFFFAOYSA-N 356.476 3.780 0 40 FHAB Cn1c(SCc2coc(-c3cccs3)n2)nnc1-c1cccnc1 9314766 LSYIHEFQSRVFGF-UHFFFAOYSA-N 355.448 3.886 0 40 FHAB COc1ccc(CCNC(=O)Cc2scnc2-c2cccs2)cc1 15840268 NUOGLGWSKKWLIV-UHFFFAOYSA-N 358.488 3.782 0 40 FHAB O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 8133979 JDNZBHYYLFHMFS-LJQANCHMSA-N 374.440 3.534 0 40 FHAB COc1ccc([C@@H](CNC(=O)c2ccc(C)cc2)N2CCCCC2)cc1 16753968 UVLVEMLMPHAPMU-OAQYLSRUSA-N 352.478 3.961 0 40 FHAB biogenic O=C(Nc1cccc(N2CCCC2=O)c1)c1nc(Cl)ccc1Cl 18092137 VTEUQYZOFYJLRV-UHFFFAOYSA-N 350.205 3.768 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC(OCc3ccccc3)CC2)c1C 8709278 SLHNAISLZUYOEC-UHFFFAOYSA-N 354.450 3.656 0 40 FHAB COc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cccc3)cc2)c(OC)c1 28303910 QEWAFMLHZPQWIB-HNNXBMFYSA-N 350.418 3.986 0 40 FHAB CN1CCN(C)c2cc(NC(=O)CC(C)(C)c3ccccc3)ccc2C1 95464821 RPXVEBFRUDPZED-UHFFFAOYSA-N 351.494 3.875 0 40 FHAB CCc1cc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)sc1C 9904945 SBAFZSVWHARIQZ-UHFFFAOYSA-N 357.479 3.570 0 40 FHAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(Cl)c(Cl)c1 23779699 FHWVJIYFBQOSHJ-CQSZACIVSA-N 372.321 3.655 0 40 FHAB COc1ccc(CN(C)C(=O)COc2ccc(Cl)c(C)c2)cc1OC 29260408 HXOUHOIXTRZNFP-UHFFFAOYSA-N 363.841 3.703 0 40 FHAB Cc1cc(Br)c(NC(=O)CCNC(=O)OC(C)(C)C)cc1C 409002919 QDSIQNWEQQJYTE-UHFFFAOYSA-N 371.275 3.919 0 40 FHAB Cc1ccccc1-n1nc2c(c1-n1cccc1)CN(C(=O)c1ccco1)C2 56907424 UOLVVSYRILPVFG-UHFFFAOYSA-N 358.401 3.720 0 40 FHAB Cc1nc2sc([C@@H](c3ccccc3)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 33710744 TWNXXGNDLYDOKC-HEHGZKQESA-N 356.495 3.872 0 40 FHAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1 30867627 SABPNMJUZZHYGV-JZXOWHBKSA-N 366.933 3.982 0 40 FHAB O=C(O)[C@H]1CS[C@@H](c2ccc(Sc3cccc4cccnc34)o2)N1 408988783 FXLXZKMBDYEFOR-BZNIZROVSA-N 358.444 3.767 0 40 FHAB Cc1ccc(N2CCN(C(=O)c3cn[nH]c3-c3cccc(C)c3)CC2)cc1 71768885 FJNWAZLAWCHXFR-UHFFFAOYSA-N 360.461 3.656 0 40 FHAB CCN(CC(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 33703941 GOCDQRWWVVGNPJ-UHFFFAOYSA-N 374.506 3.768 0 40 FHAB O[C@H](c1cccnc1)c1ccccc1N1CCN(Cc2cccs2)CC1 72340641 FGQWEHGBRRYSPJ-OAQYLSRUSA-N 365.502 3.547 0 40 FHAB CCOC(=O)c1cc(NC(=O)COc2ccc(F)cc2)ccc1Cl 222783624 ZRVVGLFPCYRFOH-UHFFFAOYSA-N 351.761 3.673 0 40 FHAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCO[C@@H](C)C1 45810026 ABHNKEACXBOKAL-JTQLQIEISA-N 370.396 3.998 0 40 FHAB Cc1cc(CN2[C@@H]3C[C@H]4CC[C@@]3(CS2(=O)=O)C4(C)C)c2ccccc2n1 329534627 YTOXIGJXUSQUBV-BSIFCXSSSA-N 370.518 3.884 0 40 FHAB COCCNC(=S)Nc1ccc(Nc2ccc3ccccc3c2)nc1 223887074 QQZMPTHRQRFGRZ-UHFFFAOYSA-N 352.463 3.911 0 40 FHAB CC(C)(C)c1ncc2c(n1)C[C@H]1CC[C@H]2N1[C@@H](C(=O)O)c1ccsc1 530163188 DGIXPDUQIVMREO-DAXOMENPSA-N 357.479 3.723 0 40 FHAB O=C(c1ccc(Cn2ccccc2=O)o1)N1CCC[C@H]1c1ccsc1 46911567 BERPGIDBXYHMFO-INIZCTEOSA-N 354.431 3.528 0 40 FHAB O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)N1CCC[C@H](c2ncc[nH]2)C1 333762674 WBCXJDCVXZCPJO-CEXWTWQISA-N 352.482 3.710 0 40 FHAB C[C@H](NCc1cccc(Br)c1)c1ccc(-n2cncn2)cc1 25364347 GNCZVNKFIINQMT-ZDUSSCGKSA-N 357.255 3.881 0 40 FHAB CO[C@@H]1CCC[C@]12CCCN(S(=O)(=O)c1cc(C)cc3cccnc13)C2 1704313395 MFWLPIJJMZWTEU-UYAOXDASSA-N 374.506 3.513 0 40 FHAB O=C(CSCc1ccccc1)N(Cc1cnc2ccccn12)C1CC1 96097125 PAIFZQZBFMMWCK-UHFFFAOYSA-N 351.475 3.759 0 40 FHAB O=C(O)[C@H](c1ccccc1F)N1CCC[C@H](c2nc3ccccc3o2)C1 652386737 GYPWCBHLSLPEQR-UGSOOPFHSA-N 354.381 3.972 0 40 FHAB COc1ccc2[nH]cc(C(=O)N3CCC(C)(c4nccs4)CC3)c2c1 585182592 QODIBTCXGQQVMP-UHFFFAOYSA-N 355.463 3.827 0 40 FHAB Cc1nc(-c2ncccn2)sc1C(=O)N1CCC[C@H]1c1cccs1 55008370 UIMPPAROUMUYOV-LBPRGKRZSA-N 356.476 3.947 0 40 FHAB O=C(N[C@@H]1CCCOc2ccccc21)N1CC[C@H](c2ccc(O)cc2)C1 1563889241 RERODVVJELZEDB-QFBILLFUSA-N 352.434 3.805 0 40 FHAB CN(C)CCN(Cc1ccco1)C(=O)c1cnc(Cc2ccccc2)s1 88230248 ZHQDDKYYYBJXTJ-UHFFFAOYSA-N 369.490 3.531 0 40 FHAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cnccc1-n1cccn1 95963644 SYJQLTDDCRAQTA-INIZCTEOSA-N 356.813 3.717 0 40 FHAB COc1ccc(C(=O)Nc2ccc(N3CCCCC3=O)c(C)c2)c(OC)c1 5441393 ZNQQHRACPATBOL-UHFFFAOYSA-N 368.433 3.781 0 40 FHAB O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1ccc(F)cc1 11895487 PTBFKIHSSNJAAK-JYRVWZFOSA-N 362.407 3.562 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12219878 FXOJPFMGVWYUFK-LBPRGKRZSA-N 373.428 3.587 0 40 FHAB CC[C@H](C)NC(=O)C1(C[C@H]2CC(c3ccc(C)cc3)=NO2)CCOCC1 12365667 KKKWOWPEGUHWLH-FUHWJXTLSA-N 358.482 3.590 0 40 FHAB COc1cccc(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)c1 13494947 CUUVSFWDKGTZJP-NSHDSACASA-N 357.797 3.890 0 40 FHAB Cc1ccc(C)c(OCC(=O)Nc2ccccc2C(=O)NCC(C)C)c1 13684381 VAHNTMUMXALSAW-UHFFFAOYSA-N 354.450 3.707 0 40 FHAB COc1ccc(CN(C)CC(=O)Nc2cccc3ccccc23)cc1OC 15351564 SRLDBBYIZCYZDS-UHFFFAOYSA-N 364.445 3.928 0 40 FHAB Cc1ccc([C@H](CNC(=O)COc2cc(C)c(Cl)c(C)c2)N(C)C)o1 15860132 XIQPZMBCMTWVRS-INIZCTEOSA-N 364.873 3.656 0 40 FHAB COC[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc2c(c1)C[C@@H](C)O2 19234897 FIJRAQICIOKASI-ZWKOTPCHSA-N 367.489 3.925 0 40 FHAB CC(=O)N1C[C@@H](c2cccc(C)c2)[C@@H]2CN(Cc3ccc(F)cc3)CC[C@@H]21 19235216 CSBOIEIMERCKKD-VABKMULXSA-N 366.480 3.971 0 40 FHAB COc1cccc([C@@H](c2sc3nc(C)nn3c2O)N2CCC[C@H](C)C2)c1 35191086 YKZFUISDXBVZIP-LRDDRELGSA-N 372.494 3.635 0 40 FHAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c(C)c1 5329278 YCLWXVIPFMHIIM-UHFFFAOYSA-N 372.490 3.848 0 40 FHAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(C)C)cc3)CC2=O)cc1 969445 WBYJIDHRIRREOS-INIZCTEOSA-N 352.434 3.810 0 40 FHAB C/C=C/C(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12 5107099 KUJVIYVZNDVYHN-GORDUTHDSA-N 364.357 3.928 0 40 FHAB O=C(NC1CC1)C1(Nc2cccc(F)c2)CCN(Cc2ccccc2)CC1 2055739169 NDTRFCRWSQBSIZ-UHFFFAOYSA-N 367.468 3.551 0 40 FHAB CC[C@@H](C)C(=O)NCC(=O)Nc1ccccc1CN(C)C1CCCCC1 40158138 LJISGTCJRJJPCB-MRXNPFEDSA-N 359.514 3.552 0 40 FHAB CCOc1ccc([C@H]2CCCN2C(=O)c2cn(-c3ccccc3)nn2)cc1 40073823 YTMWGIWNXZYIGI-HXUWFJFHSA-N 362.433 3.643 0 40 FHAB O=C(COCc1ccccc1Cl)Nc1ccccc1N1CCCC1=O 40141557 YDLCFHDMIQOZOW-UHFFFAOYSA-N 358.825 3.622 0 40 FHAB O=C(CCNC(=O)C1CCCC1)N[C@@H](c1ccc(F)cc1)C1CCCC1 40142545 QRKOBJTXGKZWFI-HXUWFJFHSA-N 360.473 3.870 0 40 FHAB COc1cccc(N2CCN(C(=O)c3ccc4nc(C)sc4c3)CC2)c1 20427167 MKDYAJBKMJSFPW-UHFFFAOYSA-N 367.474 3.576 0 40 FHAB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc(O)c1)SCC(=O)N2 20892462 AFGJRQJGHARHBO-SFHVURJKSA-N 351.431 3.661 0 40 FHAB Cc1nn(C)c(C)c1CCC(=O)N(C)[C@@H](C)c1nc2ccccc2s1 32342162 GEHZEKXLZNMBGV-AWEZNQCLSA-N 356.495 3.799 0 40 FHAB O=C(c1cc2ccccc2o1)N1CCN(C(=O)c2ccccc2Cl)CC1 32482936 RPKQMLBLIAWKSC-UHFFFAOYSA-N 368.820 3.684 0 40 FHAB CC[C@H](NC(=O)COc1ccccc1NC(C)=O)c1ccc(Cl)cc1 21367090 LUUWIPORYSOOOS-INIZCTEOSA-N 360.841 3.945 0 40 FHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Cc1cc(Cl)ccc1OC 32768870 XUOOZHALICQOPJ-UHFFFAOYSA-N 361.825 3.669 0 40 FHAB COc1cc(OC)nc(Oc2ccccc2C(=O)Oc2cccc(C)c2)n1 684958 NJMSNGAKLKUDQT-UHFFFAOYSA-N 366.373 3.814 0 40 FHAB CCOC(=O)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 844950 PORIPULPRVDHKJ-UHFFFAOYSA-N 353.275 3.731 0 40 FHAB CC(=O)c1cccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1 869786 BVWBYGGFOHRPFY-UHFFFAOYSA-N 365.355 3.622 0 40 FHAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)cc2OC)cc1 936260 XSAPEIUMFXJVSM-XYOKQWHBSA-N 355.390 3.532 0 40 FHAB O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccc(-c2ccccc2)cc1 1431377 ALBJNAYLFFJQJJ-UHFFFAOYSA-N 365.454 3.907 0 40 FHAB COc1ccc([C@H]2CCCCC[C@H]2SCC(=O)O)c(OC)c1OC 1751506 ATSFFHQJSIKTHL-IUODEOHRSA-N 354.468 3.947 0 40 FHAB COc1cc(Br)c(Br)c(Br)c1N 2316900 QKQPYKJLBNOQHH-UHFFFAOYSA-N 359.843 3.565 0 40 FHAB CC[C@]1(C)Cc2ccccc2-c2c1c(=O)n(Cc1ccccc1)c1nncn21 2393782 KFLXLOXVOJIXJO-HSZRJFAPSA-N 370.456 3.830 0 40 FHAB Cc1ccc(-n2nc3c(c2NC(=O)CCC2CCCC2)C[S@@](=O)C3)cc1 2456751 XNCJMVNVYKTWOH-SANMLTNESA-N 371.506 3.852 0 40 FHAB C[C@@H](OC(=O)c1ccc2ncsc2c1)C(=O)N(C)Cc1ccccc1 2629630 RTMUNAVKJGFBIX-CYBMUJFWSA-N 354.431 3.500 0 40 FHAB CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N2C1=S 2797518 LEILCFKTZPRPLW-HKUYNNGSSA-N 361.470 3.631 0 40 FHAB biogenic CCOc1ccc(C(C)=O)cc1CN1C(=O)NC2(CCCCCCC2)C1=O 3408836 RPPKJHAAFXVMHH-UHFFFAOYSA-N 372.465 3.823 0 40 FHAB O=C1c2ccccc2C(=O)N1CCCc1nc(-c2ccc(Cl)cc2)no1 3654571 JVLXURDMZVFZPN-UHFFFAOYSA-N 367.792 3.619 0 40 FHAB CCN(CC)CCNC(=O)C[C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 4699402 PPHUVXIOOLULMS-QGZVFWFLSA-N 361.530 3.623 0 40 FHAB Cc1ccc(C(=O)N/C(=C\c2cccnc2)C(=O)N2CCCCCC2)cc1 4953625 VPJVCEHKTPDXRS-HKWRFOASSA-N 363.461 3.564 0 40 FHAB C[C@H]1C(=O)N2CCCc3cc(NC(=O)COc4ccc(Cl)cc4)cc1c32 5153640 PIIOOAAQEYWWJV-GFCCVEGCSA-N 370.836 3.754 0 40 FHAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1Cl 5293681 NWSUWEMBCOINTN-ZDUSSCGKSA-N 364.854 3.653 0 40 FHAB O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc2ccccc2c1 5339202 PSUCVBSUENASAM-UHFFFAOYSA-N 366.442 3.632 0 40 FHAB Cc1ccc(C2=NO[C@]3(CC(=O)N(c4ccc5ccccc5c4)C3=O)C2)cc1 5398521 PMSSUHDBKCBETP-QHCPKHFHSA-N 370.408 3.975 0 40 FHAB COc1ccccc1-c1noc(CCC(=O)Nc2ccc(C)cc2C)n1 5575338 CNOMRTLXIODYDZ-UHFFFAOYSA-N 351.406 3.933 0 40 FHAB C[C@@H]1CCCCN1C(=O)CN1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 5625708 MOXRYBHQKVVXBZ-CQSZACIVSA-N 374.916 3.797 0 40 FHAB O=C(NCCCn1ccnc1)[C@@H](Sc1ccccc1)c1ccccc1 5947605 AMTLOQKNLRHRTI-IBGZPJMESA-N 351.475 3.923 0 40 FHAB CCc1ccc(OCc2nnc(SCC(=O)c3ccccc3)n2C)cc1 5985160 HCMSRRBSNDTLEL-UHFFFAOYSA-N 367.474 3.932 0 40 FHAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(F)cc1 6478265 JGSMPEIGAMLBAG-UHFFFAOYSA-N 367.409 3.861 0 40 FHAB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)NC1CCCC1 6558146 QDGJLHXONYNJBU-UHFFFAOYSA-N 351.402 3.526 0 40 FHAB CCc1ccc(OCCSc2[nH]c3ccccc3[n+]2CCC(=O)O)cc1 6574200 JLPVHPXULHPJTN-UHFFFAOYSA-O 371.482 3.664 0 40 FHAB CC[C@@H](C)C(=O)N1CCc2c([nH]c3ccccc23)[C@@]12C(=O)Nc1ccccc12 6624635 ADZLPMYXNRDXAT-FATZIPQQSA-N 373.456 3.794 0 40 FHAB biogenic CCN(CC)Cc1ccc(NC(=S)NC(=O)c2cccc(F)c2)cc1 6629896 MCLCQOOAVPJNEJ-UHFFFAOYSA-N 359.470 3.794 0 40 FHAB c1ccc(CCNc2nc3ccccc3c3nc(-c4cccnc4)nn23)cc1 6805417 ZPSAPCLHVXJXDS-UHFFFAOYSA-N 366.428 3.994 0 40 FHAB CCc1ccc2oc(C(=O)Nc3cc(OC)ccc3OC)cc(=O)c2c1 6811286 KLIRGIQTGRXNBL-UHFFFAOYSA-N 353.374 3.625 0 40 FHAB O=C(CCOc1cccc(Br)c1)Nc1ccc2c(c1)OCO2 6886566 BFJNBGWKPZXGJJ-UHFFFAOYSA-N 364.195 3.585 0 40 FHAB Cc1ccc(C(=O)NCC(=O)Nc2nc(-c3cccs3)cs2)cc1C 6968491 JPZIRYWSGFVBDP-UHFFFAOYSA-N 371.487 3.857 0 40 FHAB COc1cc(C)c(N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1OC 7057806 MNGZLIAANFSNGU-JTQLQIEISA-N 368.355 3.869 0 40 FHAB CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2ccsc2)c1 7071321 ILUXDPBLMMBNHP-UHFFFAOYSA-N 366.508 3.648 0 40 FHAB COC(=O)c1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 7112668 YNVMAZZGSDOJEY-LJQANCHMSA-N 362.385 3.833 0 40 FHAB CSc1nc(N2CCCC2)c2cc(C(=O)NCc3ccco3)sc2n1 7604241 QLOTTXCGYKYMIH-UHFFFAOYSA-N 374.491 3.536 0 40 FHAB CCN(C(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)c1ccccc1C 8245759 PMJMPMAAQDWXRV-SFHVURJKSA-N 368.452 3.578 0 40 FHAB CCC(=O)c1cc(F)ccc1OCC(=O)NC(=O)Nc1ccc(C)cc1C 8313557 HPCOLRAJBXKOJT-UHFFFAOYSA-N 372.396 3.762 0 40 FHAB CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nncn2C(C)C)cc1 8335283 SNQSXWIHOFVRCF-CYBMUJFWSA-N 360.483 3.817 0 40 FHAB C[C@H](OC(=O)c1cccc2c1O[C@@H](C)[C@H]2C)C(=O)N1CCc2ccccc21 8481407 SMCMPNIZBKBMSQ-ILXRZTDVSA-N 365.429 3.706 0 40 FHAB COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)cc1 8843857 HIYJAOZGUKKDHJ-IBGZPJMESA-N 365.433 3.579 0 40 FHAB O=C(Cc1cccc2ccccc12)N1CCC(c2nnc3ccccn23)CC1 8924149 RJLGKAZLSXAEJD-UHFFFAOYSA-N 370.456 3.831 0 40 FHAB Cc1cc(NC(=O)[C@H](C)Sc2nc(NC3CC3)c3ccccc3n2)no1 9455344 NZOVHUMQFHWDPM-NSHDSACASA-N 369.450 3.620 0 40 FHAB O=C(NCCCOCc1ccccc1)c1c[nH]nc1-c1ccc(F)cc1 10135682 ZKSPMGGPFFNZBD-UHFFFAOYSA-N 353.397 3.553 0 40 FHAB COc1cccc(C(N)=O)c1OCC(=O)c1cc(C)n(CCC(C)C)c1C 12741677 ZWHUGJMKNMUJBV-UHFFFAOYSA-N 372.465 3.520 0 40 FHAB O=C(CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1ccc(Cl)cc1 12750737 BDNJWDOEJWSPRJ-OAHLLOKOSA-N 371.868 3.629 0 40 FHAB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2c(C)nn(C)c2C)cc1 12751028 ZDCCCKOFOFEZRB-IBGZPJMESA-N 370.497 3.601 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCc1ccc(F)cc1 12751227 QISZMWNLOXIEQP-UHFFFAOYSA-N 366.440 3.687 0 40 FHAB Cc1ccccc1[C@@H](C)NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C 12780469 DQSGKBWIBYHYIE-OAHLLOKOSA-N 361.445 3.858 0 40 FHAB CC(C)CCC(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 12823153 ZAOOZKXOMFJUTA-UHFFFAOYSA-N 353.488 3.811 0 40 FHAB COc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2ccccc2C)cc1 12862390 JCMCAVRZCOWJHJ-UHFFFAOYSA-N 371.458 3.988 0 40 FHAB O=C(Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCN(Cc2ccccc2)C1 13003228 UBYBEHYDZSYWIY-SFHVURJKSA-N 362.395 3.639 0 40 FHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CSc1ccccc1 13019719 FGMCQUPBCXRLHW-UHFFFAOYSA-N 364.417 3.544 0 40 FHAB Cc1nnc(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)n1-c1ccccc1 13141469 MFYMSZVPBLGZLF-CKEIUWERSA-N 358.511 3.609 0 40 FHAB CC[S@](=O)c1ccccc1C(=O)O[C@@H](C)C(=O)c1c[nH]c2ccccc12 14199131 BJZCIBVWSJZSRP-WHDAMIPWSA-N 369.442 3.724 0 40 FHAB Cn1c(SCc2nc3ccccc3n2C(F)F)nnc1C(F)(F)F 14902655 BKEKVKDKFBWHOS-UHFFFAOYSA-N 363.315 3.871 0 40 FHAB COc1cccc([C@@H]2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)C[C@H]2O)c1 19563965 WGAINASHQCDRLU-HEKNWVKJSA-N 369.505 3.588 0 40 FHAB Cn1nccc1CN1CCC[C@H]1c1ccc(Cc2ccc(F)cc2)cn1 19688412 GCMVMUUPGQCPJX-NRFANRHFSA-N 350.441 3.882 0 40 FHAB COC(=O)c1ccc(-c2ccc(CNC[C@@H](O)c3ccccc3)o2)cc1 19872455 IZCMAOLFFOUIRG-LJQANCHMSA-N 351.402 3.556 0 40 FHAB COc1ccc(CSc2nc(N)c3c4c(sc3n2)CN(C)CC4)cc1 20393836 VGAUWYYJNAWHTK-UHFFFAOYSA-N 372.519 3.562 0 40 FHAB Cc1nc(-c2ccccc2F)sc1C(=O)N[C@@H](C(=O)O)c1ccccc1 20721791 SYZSKTYMUYBGDT-OAHLLOKOSA-N 370.405 3.813 0 40 FHAB CCn1c(=O)sc2cc(NC(=O)COc3cccc(C)c3C)ccc21 21355048 TXKWMRORUXOQRI-UHFFFAOYSA-N 356.447 3.717 0 40 FHAB CC1(C)CC(NC(=O)CCc2ncc(-c3ccccc3F)o2)CC(C)(C)N1 21473111 HQXCLGDHTRKQLK-UHFFFAOYSA-N 373.472 3.839 0 40 FHAB O=C(N1CCCN(Cc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 22610894 GEFZNLXIWWQURF-UHFFFAOYSA-N 352.522 3.937 0 40 FHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(SC)c2)c1 26527570 FIDFDRWXSMNHDI-UHFFFAOYSA-N 371.867 3.649 0 40 FHAB Cc1ccc(Cn2nccc2NC(=O)c2cc(=O)c3ccc(C)cc3o2)cc1 28292642 VVCOSGFBVSGKFT-UHFFFAOYSA-N 373.412 3.907 0 40 FHAB CN(C(=O)c1cccs1)c1ccccc1C(=O)NOCc1ccccc1 29009280 CUBFIOWTXHTSGN-UHFFFAOYSA-N 366.442 3.886 0 40 FHAB COc1ccc(CC[S@](=O)Cc2nc(-c3ccc(C)cc3)no2)cc1 32765151 TWAOKLNIDAAGQU-RUZDIDTESA-N 356.447 3.545 0 40 FHAB CC(C)c1ccc(C[S@@](=O)CC(=O)Nc2cc(F)cc(F)c2)cc1 32800981 WOXADNUIZFNGKI-DEOSSOPVSA-N 351.418 3.976 0 40 FHAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1cnn(C)c1 32900343 OZJJCLMSXMABJL-OAHLLOKOSA-N 362.433 3.506 0 40 FHAB CCOCCCNC(=O)/C=C/c1ccc(OCc2csc(C)n2)cc1 32906321 GPUASHZSTKFUPG-JXMROGBWSA-N 360.479 3.587 0 40 FHAB Cn1cc(Cl)cc1C(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 33053411 CGRLKXZWDJRCQF-UHFFFAOYSA-N 366.870 3.647 0 40 FHAB Cc1ccc2[nH]c(CSc3nnc(-c4ccco4)n3C)cc(=O)c2c1 33063631 GUZPJRXATSOZEL-UHFFFAOYSA-N 352.419 3.517 0 40 FHAB Cc1cccc(-c2noc(-c3nn(-c4ccc(Cl)cc4)ccc3=O)n2)c1 33300460 KDDRGGFVTYOPQQ-UHFFFAOYSA-N 364.792 3.911 0 40 FHAB Cc1ccccc1C(=O)NC1CCN(C(=O)Nc2cccc(F)c2)CC1 35289075 JPHMJZNXMWANSC-UHFFFAOYSA-N 355.413 3.560 0 40 FHAB Clc1ccc(-n2nnnc2C2(NCc3ccco3)CCCCC2)cc1 35622566 PCTNVDNYYLQHNW-UHFFFAOYSA-N 357.845 3.858 0 40 FHAB O=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc(-n2cccn2)cc1 36366956 CMFPIBRWPHOGDX-UHFFFAOYSA-N 367.352 3.692 0 40 FHAB COc1ccc(CC(=O)NCc2ccccc2CN2CCC[C@H](C)C2)cc1 36396106 IHCMSLVZHLKVMD-SFHVURJKSA-N 366.505 3.786 0 40 FHAB O=C1C[C@@H](Nc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1Cl 36635887 OKDBYYXHMCBGKV-CYBMUJFWSA-N 353.180 3.877 0 40 FHAB Cc1noc2nc(-c3ccccc3)cc(C(=O)NCc3ccc(C)n3C)c12 36643859 ILHYPNVKTWZAND-UHFFFAOYSA-N 360.417 3.775 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1ccsc1 39981824 OZLGITFYBRSVMF-MRXNPFEDSA-N 364.898 3.815 0 40 FHAB CN(C)c1cccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1 40082299 PNGBRIDXFKGEKM-OAQYLSRUSA-N 374.488 3.805 0 40 FHAB CC(C)(C)c1noc(CCC(=O)Nc2ccc(Oc3cnccn3)cc2)n1 40112577 FYTFPGXLRBIJNY-UHFFFAOYSA-N 367.409 3.521 0 40 FHAB C[C@H](NC(=O)[C@H]1CCCO1)c1ccc(NC(=O)Nc2ccccc2)cc1 42091781 XZIOPQGHDIVPGJ-KBXCAEBGSA-N 353.422 3.687 0 40 FHAB Cc1noc(C)c1CN(C)CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 46407117 HKFQDLWMILAFMJ-SNVBAGLBSA-N 370.280 3.907 0 40 FHAB O=C(Nc1cccc(C(=O)N2CCC[C@@H]2c2ccsc2)c1)[C@@H]1CCCO1 48249357 GXPRVSFFOYTRPZ-MSOLQXFVSA-N 370.474 3.843 0 40 FHAB Cc1ccc2c(CN3CCN(c4ccc(F)cc4)CC3)cc(=O)oc2c1 54105879 XXFZWKRWEKBLNI-UHFFFAOYSA-N 352.409 3.563 0 40 FHAB biogenic CCN1CCN(C(=O)c2cc(-c3ccccc3C)nc3ccccc23)CC1 55079192 ODFLJHMARJKKSN-UHFFFAOYSA-N 359.473 3.988 0 40 FHAB CC(=O)c1c[nH]c(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)c1 57981814 UJWXOJDKXUXVOB-UHFFFAOYSA-N 372.428 3.545 0 40 FHAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Oc1cccc2[nH]ncc12 58025724 DSTGINJXVSYKTN-UHFFFAOYSA-N 351.337 3.895 0 40 FHAB CC1(C)CC[C@H](NC(=O)c2ccc(Cn3cncn3)cc2)c2ccccc21 58157061 MPJHGOQRBLJXBV-FQEVSTJZSA-N 360.461 3.869 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c1C 58192890 NKHTWUIABJVYOK-MRXNPFEDSA-N 373.522 3.538 0 40 FHAB O=C(CCOc1ccccc1F)N1CCC([C@H](O)c2ccccc2)CC1 71869677 JDJBFFZRKXBYKJ-OAQYLSRUSA-N 357.425 3.567 0 40 FHAB O=S(=O)(c1ccccc1Oc1cccc(-c2nnco2)c1)C(F)(F)F 72073032 QYLFXUQBUMGGIQ-UHFFFAOYSA-N 370.308 3.822 0 40 FHAB Nc1cc(Cl)c(NC(=O)c2ccc(Cl)cc2)cc1N1CCOCC1 72229303 IJCOSWGVGXQVGT-UHFFFAOYSA-N 366.248 3.665 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2Cl)cc1 95117429 NFMGCVMNKAHSLH-UHFFFAOYSA-N 369.808 3.955 0 40 FHAB COC(=O)Cc1ccc(OC(=O)c2cccc(Br)c2)c(F)c1 96004503 BMARMZMJXNPKLS-UHFFFAOYSA-N 367.170 3.523 0 40 FHAB O=C(Nc1ccccc1)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccco1 96114193 NWFPLVSYMQARTK-XLIONFOSSA-N 373.364 3.918 0 40 FHAB biogenic CC(C)N1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccccc3)[C@@H]2C1=O 100799247 SCJYZGKOFOCAKS-BZSNNMDCSA-N 370.836 3.595 0 40 FHAB Cc1ccc(N2N=N[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]32)cc1F 101260356 RWZNEVVUQCHAAZ-CVEARBPZSA-N 372.787 3.594 0 40 FHAB COc1ccc(C)cc1NC(=O)C12C[C@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 103150631 GAOAWSDBQPPQIH-AJHHTPGJSA-N 366.465 3.529 0 40 FHAB CC(=C\c1ccccc1)/C=C1/NC(=S)N(CN2CCCCCC2)C1=O 104303462 CNEMYHOTGQXXLA-KSQUNMIPSA-N 355.507 3.524 0 40 FHAB Cn1cc(-c2nc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cs2)cn1 107913639 UAJIEVLOIGPAGV-UHFFFAOYSA-N 368.340 3.695 0 40 FHAB CCN(c1ccc(C(=O)N[C@H](C)c2cc(C)ccc2C)cc1)S(C)(=O)=O 113945070 KMJLOHLFZWJXAX-MRXNPFEDSA-N 374.506 3.580 0 40 FHAB CCc1ccc(CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 152884810 CSSCDTFDNYCEQX-UHFFFAOYSA-N 373.456 3.755 0 40 FHAB Cc1cc(OC2CCN(C(=O)c3cccc4ccccc34)CC2)cc(=O)o1 206974018 UBISIOKNICJFRZ-UHFFFAOYSA-N 363.413 3.785 0 40 FHAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222718791 YGEUKADJCBNEJS-ZBFHGGJFSA-N 371.433 3.501 0 40 FHAB O=C(Nc1nnc(-c2ccccc2)s1)C1(c2ccccc2)CCOCC1 223663508 RVZFWCWJTUGFIJ-UHFFFAOYSA-N 365.458 3.892 0 40 FHAB O=C(NCc1ccc(-c2ccco2)nc1)c1cc(-c2cccs2)on1 238934123 VIONVXMDIQBTJY-UHFFFAOYSA-N 351.387 3.988 0 40 FHAB Cc1cccc(Nc2cc([C@@H]3CCCN(Cc4ccnn4C)C3)ccn2)n1 257212454 CDLPYIQXSMCMLH-GOSISDBHSA-N 362.481 3.642 0 40 FHAB Cn1nc(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)cc1C1CC1 330007294 DLLOYWFRGKVEFZ-INIZCTEOSA-N 350.422 3.806 0 40 FHAB Cc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1C(=O)NC(C)C 408593717 NEEUUNQSZWCSRW-UHFFFAOYSA-N 366.527 3.524 0 40 FHAB Cc1cccc(N2C[C@H](C(=O)Oc3cccc4cccnc34)CC2=O)c1C 408650408 BDBRLPMBYYJNQW-QGZVFWFLSA-N 360.413 3.810 0 40 FHAB CC[C@@H](C)n1cc(I)c(COCC(F)(F)F)n1 408716284 KYNLNOWWGZLKPT-SSDOTTSWSA-N 362.133 3.538 0 40 FHAB O=C(O)[C@@H]1CN[C@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)S1 408980066 UIGVPKRHTLEJMO-ROUUACIJSA-N 356.422 3.617 0 40 FHAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccnc3)[C@](O)(C(F)(F)F)[C@@H]2C1 409101222 SCWOWPMWTRLJEG-PBFPGSCMSA-N 369.387 3.607 0 40 FHAB CC(C)COc1ccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1 409199707 QDSHNCMCVZMQOJ-UNOMPAQXSA-N 350.418 3.814 0 40 FHAB CCN1C(=O)CC[C@@H](C(=O)NCc2cccc(Cl)c2)[C@@H]1c1ccccc1 585168470 OUMCTBXATZVNJH-QUCCMNQESA-N 370.880 3.956 0 40 FHAB O=C(CCc1nc(O)c2ccccc2n1)N1CCC[C@H]1CC1CCCC1 655365752 KSVZFBTTWOBVJB-INIZCTEOSA-N 353.466 3.839 0 40 FHAB CC(C)(C)N1CC[C@@H](CNc2nc(-c3cccnc3)nc3c2CCC3)C1 664139035 YYTKCKRNMGUXRM-HNNXBMFYSA-N 351.498 3.560 0 40 FHAB CSc1ccccc1NC(=O)C1CCN(c2ccc(C3CC3)nn2)CC1 824951006 WPMBYBCCGKGGAV-UHFFFAOYSA-N 368.506 3.931 0 40 FHAB Cc1c(C(=O)N2CCC[C@@]23CN(c2ccc(F)cc2)C(C)(C)C3)cnn1C 1615157001 LOXLPUKRRUJMEY-OAQYLSRUSA-N 370.472 3.531 0 40 FHAB CC(=O)N1CCN(C2CCCC2)C[C@H](Cc2ccc3ncccc3c2)C1 1615192200 SHGIIFHDMZNHQG-LJQANCHMSA-N 351.494 3.500 0 40 FHAB O=C1N[C@H]2c3ccccc3O[C@@]3(CCSC[C@H]23)N1Cc1cccs1 1776004865 ZYKYJYYDDDLOHT-UWWQBHOKSA-N 358.488 3.856 0 40 FHAB CC(C)c1nccn1CC1CN(c2ncc(Cl)cc2Br)C1 2087059444 ZIZSHGCMYWJQGL-UHFFFAOYSA-N 369.694 3.954 0 40 FHAB COC(=O)[C@@H](C)n1cnc2sc(C)c(-c3ccc(C)c(C)c3)c2c1=O 812672 IUEFRGKDNKOUCT-GFCCVEGCSA-N 356.447 3.784 0 40 FHAB O=C(CN1C(=O)c2ccccc2C1=O)Oc1ccc(-c2ccccc2)cc1 1268409 GKBMZVXRABQUMT-UHFFFAOYSA-N 357.365 3.555 0 40 FHAB COC(=O)C(=O)c1c(-c2ccc[n+](Cc3ccccc3)c2)[nH]c2ccccc12 1708639 HSOJUPKJXTTXMF-UHFFFAOYSA-O 371.416 3.526 0 40 FHAB Nc1ccc(C(=O)OCC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc1 1926066 HIRSNLXLZYAPOA-UHFFFAOYSA-N 374.396 3.561 0 40 FHAB CCSc1nnc(NC(=O)CCc2nc3ccccc3s2)s1 2624514 HGQZBQQGDVOXLM-UHFFFAOYSA-N 350.494 3.831 0 40 FHAB COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(C(C)=O)cc1 2643092 WFGFTTJUSXGRSZ-UHFFFAOYSA-N 361.463 3.996 0 40 FHAB CC(=O)c1ccccc1NC(=O)COC(=O)c1cc(Cl)ccc1Cl 3292123 DACKHXXAJRIVAO-UHFFFAOYSA-N 366.200 3.992 0 40 FHAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 3559875 YZGOUGCGUSYYMH-WUXMJOGZSA-N 355.390 3.532 0 40 FHAB CC(C)[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)O 4018760 PRKZFRQGWUQYOG-NAVXVDNBSA-N 355.478 3.993 0 40 FHAB COc1ccc(C(=O)N2CCN=C2SCc2ccccc2C)cc1OC 4120011 SQHNLIQXNFDCPS-UHFFFAOYSA-N 370.474 3.757 0 40 FHAB CN(C)CCN(C(=O)Cc1ccccc1)c1nc2ccc(F)cc2s1 4359174 OXEQQJIHONVIAL-UHFFFAOYSA-N 357.454 3.573 0 40 FHAB COc1cccc(NC(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)c1 4505696 NXZACPSFHQLARB-UHFFFAOYSA-N 366.417 3.727 0 40 FHAB O=C(COC(=O)c1ccc2ncsc2c1)N[C@H]1CCCc2ccccc21 4546047 MOZCJKNTEAFEQT-INIZCTEOSA-N 366.442 3.647 0 40 FHAB O=C(COC(=O)/C=C/c1cccc(F)c1)NCC12CC3CC(CC(C3)C1)C2 4807371 KIBNCYNFQMQVFC-SNAWJCMRSA-N 371.452 3.715 0 40 FHAB Clc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCCC2)cc1 4860136 SSACJNUGRMRZCV-IBGZPJMESA-N 367.884 3.754 0 40 FHAB Cc1csc2nc(SCC(=O)Nc3ccccc3Cl)[nH]c(=O)c12 4911465 DHFOPGZBFQJWRK-UHFFFAOYSA-N 365.867 3.677 0 40 FHAB COc1ccc(Cl)cc1NC(=O)CSc1nc(SC)ns1 5059838 VUZVKPGJGHUNDE-UHFFFAOYSA-N 361.901 3.653 0 40 FHAB C[C@@H]1CCN(C(=O)CSc2nnc3ccccn23)c2ccccc2S1 6114801 CHEOXACHRMLSSL-CYBMUJFWSA-N 370.503 3.739 0 40 FHAB CCCCNC(=O)c1ccccc1NS(=O)(=O)c1c(C)cc(C)cc1C 6361882 BEMARZYJMXWKKW-UHFFFAOYSA-N 374.506 3.943 0 40 FHAB CC[C@H](C)Oc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 6555309 IQWCYNJWKWCRHP-NSHDSACASA-N 358.463 3.765 0 40 FHAB CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1 7218331 WRYVTKIIZYYXGX-UHFFFAOYSA-N 374.687 3.923 0 40 FHAB COc1cc(CNCc2ccc(C)cc2)ccc1OCC(=O)NC(C)(C)C 7538009 DEDIZXPSIYJIPC-UHFFFAOYSA-N 370.493 3.587 0 40 FHAB CCNC(=O)c1cccc(NC(=O)c2ccc(COc3ccccc3)o2)c1 7717634 YOUDWZMTQNAXNQ-UHFFFAOYSA-N 364.401 3.861 0 40 FHAB Cc1cccc(NC(=O)CSCC(=O)Nc2nc3ccccc3s2)c1 7767440 GFAQWJBZSYQHLD-UHFFFAOYSA-N 371.487 3.915 0 40 FHAB O=C(C[C@H]1OC(=O)c2ccccc21)NCc1ccc(Cl)cc1Cl 7813766 TUNBIKLFKVTTOA-OAHLLOKOSA-N 350.201 3.911 0 40 FHAB CCc1ccc(OCC(=O)NCc2ccccc2CN2CCCC2)cc1 8011896 PBPDQMCONFNKJV-UHFFFAOYSA-N 352.478 3.540 0 40 FHAB Cc1cccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(=O)n(C)n2)c1 8037955 JGAKISPADDZBTI-UHFFFAOYSA-N 369.808 3.787 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)NCc3ccc(Cl)cc3)CC2=O)cc1C 8265887 RYQJQQJNPOSGBO-MRXNPFEDSA-N 356.853 3.626 0 40 FHAB COc1ccc(OCCCC(=O)N[C@H](C)c2cc(OC)ccc2OC)cc1 8356542 GPHFHRUUTGXGLH-OAHLLOKOSA-N 373.449 3.749 0 40 FHAB CCNc1nc(S[C@@H](C(=O)N(C)C)c2ccccc2)nc2ccccc12 8393061 FUDAVEIQJZJARW-QGZVFWFLSA-N 366.490 3.983 0 40 FHAB COc1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)n[nH]2)cc1 9198151 VMLZTYNELRKZND-UHFFFAOYSA-N 374.853 3.865 0 40 FHAB CCOc1ccc(-c2nnc(COC(=O)c3ccc(C)cc3O)o2)cc1 9377123 WWEZAIHWDVNPCQ-UHFFFAOYSA-N 354.362 3.506 0 40 FHAB Cc1cc(NC(=O)[C@H](C)Sc2nc(C3CC3)nc3ccccc23)no1 9513986 MWGNHDDSTQMRSQ-NSHDSACASA-N 354.435 3.923 0 40 FHAB COc1ccc(NC(=O)[C@H](OC(=O)c2ccc[nH]2)c2ccccc2)cc1 9535552 KPPWXRHQLWYXLA-GOSISDBHSA-N 350.374 3.560 0 40 FHAB CC[C@@H]1CCCCN1C(=O)[C@@H](C)N(C)CC(=O)Nc1c(C)cc(C)cc1C 9951079 CSIPSIRASRKUSE-RTBURBONSA-N 373.541 3.662 0 40 FHAB CC(=O)Nc1ccc(OC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 10272141 ORRMEGFEYNBQCQ-UHFFFAOYSA-N 357.749 3.624 0 40 FHAB O=C(NCCc1cccc(Cl)c1)NCc1ccccc1OC(F)F 10410564 YLYNQJSIMHGCSE-UHFFFAOYSA-N 354.784 3.983 0 40 FHAB COc1cccc(C(=O)NCCOc2ccc3ccccc3c2)c1OC 10995101 WKQRJZMPPWMZFE-UHFFFAOYSA-N 351.402 3.666 0 40 FHAB O=C(CS[C@H]1CCc2ccccc2N=C1O)NC1Cc2ccccc2C1 11865853 XTZYDNRRUWJGGV-IBGZPJMESA-N 366.486 3.606 0 40 FHAB C[C@H](C(=O)N1CCC(c2noc(-c3cccnc3)n2)CC1)c1ccccc1 12186983 PLOROHUZHQBTSN-HNNXBMFYSA-N 362.433 3.641 0 40 FHAB COc1ccc(NC(NC(=O)C(C)C)(C(F)(F)F)C(F)(F)F)cc1 12401196 JXQAVWHPKUYJQD-UHFFFAOYSA-N 358.282 3.700 0 40 FHAB CCN1CCN(c2ccc(Cl)cc2NC(=O)Cc2cccs2)CC1 12534525 BBWGVLRNCLRTAR-UHFFFAOYSA-N 363.914 3.725 0 40 FHAB COc1ccc(-c2cc(CNC(=O)COc3ccc(Cl)cc3)no2)cc1 12638004 RBAZLOJWUIRAGK-UHFFFAOYSA-N 372.808 3.699 0 40 FHAB O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 12738079 RSDPVABWLSDHTR-UZLBHIALSA-N 372.484 3.859 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)COc1ccccc1F 12855875 AENVYLXDMJEKMB-UHFFFAOYSA-N 367.424 3.666 0 40 FHAB CN(C)[C@@H](CNC(=O)[C@@H]1Cc2ccccc2S1)c1ccccc1Cl 12912287 OWOVCNJNTDJAQH-WMZOPIPTSA-N 360.910 3.776 0 40 FHAB COc1ccc2c(C)c(CCC(=O)Nc3ccc(F)cc3)c(=O)oc2c1 12913760 YORJPXVORGOXIU-UHFFFAOYSA-N 355.365 3.820 0 40 FHAB Cc1ccc2c(c1)C(=O)C[C@@H]([C@@H]1CCCN(C(=O)c3ccc(C)o3)C1)O2 13227503 FYHZNSKRIIKNMS-QRWLVFNGSA-N 353.418 3.783 0 40 FHAB O=C1C[C@@]2(CC[C@@H]3[C@H]2[C@@H]3C(=O)NCc2ccccc2F)Oc2ccccc21 13267004 GXBAPDJCFYVWNO-CDYWNXMYSA-N 365.404 3.502 0 40 FHAB O=C(Cc1cccs1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 13267174 YXTUGOXLEVIWLP-SFHVURJKSA-N 351.475 3.729 0 40 FHAB CC[C@@H](C(=O)Nc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13711919 RWKUTFRTSAJDIU-INIZCTEOSA-N 366.870 3.523 0 40 FHAB CC(C)(C)OC(=O)NCC1(CC(=O)NCc2cccnc2)CCCCC1 13735789 WHXIIXUGNWSXPC-UHFFFAOYSA-N 361.486 3.563 0 40 FHAB CCOC(=O)Cc1csc(NC(=O)/C=C\c2ccc(Cl)cc2)n1 17373802 UHRMQURUMJSXKJ-YVMONPNESA-N 350.827 3.554 0 40 FHAB Cc1cc(-c2nccs2)nc(C2CCN(Cc3ccccn3)CC2)n1 19118675 UESPBJCUTRROQL-UHFFFAOYSA-N 351.479 3.683 0 40 FHAB C[C@@H]1CCC[C@H](N2CCC(N3CCN(Cc4ccccc4)CC3)CC2)C1 19888819 KZAYPWPXFXBOLG-OFNKIYASSA-N 355.570 3.847 0 40 FHAB O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1C2 19928174 GIBJOMBVSYFVQQ-MISXGVKJSA-N 362.886 3.522 0 40 FHAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCCN1CCC(C)CC1 20458351 LHSHFXLTRPUTNP-QGZVFWFLSA-N 352.906 3.736 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c(C)c1 20458893 NOJHYUMXASBICK-UHFFFAOYSA-N 358.463 3.539 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(C(=O)OC)c1C 20460971 UDDVDGTXGGGYEY-SFHVURJKSA-N 357.406 3.586 0 40 FHAB CN1CCN(Cc2ccccc2C(=O)c2ccc(Cl)c(Cl)c2)CC1 22028248 BRAHAESXJKFFBX-UHFFFAOYSA-N 363.288 3.972 0 40 FHAB Cc1ccc(C(=O)n2cccc/c2=N\C(C)C)cc1NC(=O)c1ccco1 22378837 RNBIFZGWTDEKQP-ZBJSNUHESA-N 363.417 3.639 0 40 FHAB CC(=O)NCCC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 24038876 QPYYYBVAFXTIBI-UHFFFAOYSA-N 372.277 3.505 0 40 FHAB COc1ccccc1C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 24559970 ZSUIBPBBJWGRQX-LJQANCHMSA-N 361.445 3.747 0 40 FHAB O=C(CCSc1nnc(NC2CC2)s1)Nc1cccc(Cl)c1 24986576 DBSCTDFFNYTYKQ-UHFFFAOYSA-N 354.888 3.887 0 40 FHAB O[C@@H](COc1c(Cl)cccc1Cl)CN1CCc2sccc2C1 28174363 MYTUZEJXFPTGSU-GFCCVEGCSA-N 358.290 3.853 0 40 FHAB CCc1ccc(NC(=O)CSc2nnnn2-c2cccc(C)c2C)cc1 32719148 KGTMSHGHMYKZFL-UHFFFAOYSA-N 367.478 3.572 0 40 FHAB CC(=O)N[C@H](CC(=O)N(C)Cc1cccs1)c1ccc(Cl)cc1 32736294 UXJVEWZNYHKTIK-MRXNPFEDSA-N 350.871 3.627 0 40 FHAB COC[C@H](C)n1c(C)cc(C(=O)COc2nnc(-c3ccccc3)o2)c1C 32809899 LXXBLELHHUHMKZ-AWEZNQCLSA-N 369.421 3.624 0 40 FHAB CCn1c(Cc2ccccc2)nnc1SCC[S@](=O)c1ccccc1 32931578 XLIDUFWBEIBFKD-RUZDIDTESA-N 371.531 3.789 0 40 FHAB Cc1nc(COc2ccc(C(=O)NC[C@H](C)N3CCCCC3)cc2)cs1 40157560 VOALQIHYYSZHRO-HNNXBMFYSA-N 373.522 3.635 0 40 FHAB Cc1cc(C)c(NC(=O)C(=O)NCc2ccc(OC(C)C)cc2)c(C)c1 42646589 QDPPMWDSMIAAPP-UHFFFAOYSA-N 354.450 3.654 0 40 FHAB CC[C@H](C)C(=O)Nc1ccc(OC)c(OCc2cn3ccccc3n2)c1 48206152 PELWTPIMSKTAKL-AWEZNQCLSA-N 353.422 3.907 0 40 FHAB CCN(C(=O)c1nn(-c2ccccc2F)c(C)cc1=O)c1ccccc1C 48286959 MCPMUOVVLAGXLL-UHFFFAOYSA-N 365.408 3.655 0 40 FHAB O=C(CSc1nc2ccsc2c(=O)[nH]1)Nc1ccc(Cl)cc1F 51317230 XNWPURXSYYKUGZ-UHFFFAOYSA-N 369.830 3.508 0 40 FHAB CCc1noc(CCCC(=O)NCCc2cccc(Cl)c2Cl)n1 53963921 VVLXPSNKRHHFSO-UHFFFAOYSA-N 356.253 3.620 0 40 FHAB Cc1noc(C2CCN(C(=O)Cc3c(Cl)cccc3Cl)CC2)n1 54664331 WXBLDPKACPLSHY-UHFFFAOYSA-N 354.237 3.634 0 40 FHAB Cc1cc(=O)n(CC(=O)N(C)c2cccc(Cl)c2)c(-c2ccccc2)n1 57526588 NZTGMAGTOHYZRZ-UHFFFAOYSA-N 367.836 3.535 0 40 FHAB CCc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccccc1OC)C3 57996630 HODVXRBNFCVUAX-UHFFFAOYSA-N 351.402 3.716 0 40 FHAB biogenic Cc1cc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)no1 58190942 OHRVXAAPHKGOTQ-ZDUSSCGKSA-N 371.372 3.584 0 40 FHAB CCn1ncc2c(C(=O)Nc3ccc(F)cn3)cc(-c3ccccc3)nc21 58325473 DZFLSOZNUWFQMU-UHFFFAOYSA-N 361.380 3.905 0 40 FHAB C[C@H](COCC(F)(F)F)NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 60161220 MNFQCPJQUOJREG-SNVBAGLBSA-N 372.309 3.814 0 40 FHAB O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(OC(F)F)cc2)CC1 60466166 NYYHVQXBBQTZAX-UHFFFAOYSA-N 373.403 3.768 0 40 FHAB CCn1cc(NC(=O)c2csc(-c3cccc(Cl)c3)n2)ccc1=O 65563642 MMRANLAHMUHPAV-UHFFFAOYSA-N 359.838 3.897 0 40 FHAB C[C@H](Oc1ccccc1Cl)C(=O)NCc1nc(-c2cccs2)no1 65779122 SIEOLVLCOLZFJK-JTQLQIEISA-N 363.826 3.535 0 40 FHAB Cc1ccc(N2CCN(CC(=O)c3ccc(Br)cc3)CC2)cc1 67206474 HTWDTXWLUSTWHM-UHFFFAOYSA-N 373.294 3.762 0 40 FHAB Cc1ccc(Nc2nn[nH]c2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1C 67283958 GNQXSLZUHQWJLW-ZDUSSCGKSA-N 353.401 3.795 0 40 FHAB COc1ccc([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCC2)cc1OC 71282085 FVFDLNRXENNPMW-AWEZNQCLSA-N 371.437 3.822 0 40 FHAB COc1ccccc1-c1nc2cnccn2c1NCc1ccc2c(c1)OCO2 72341885 CCVLQVIXNYPKDB-UHFFFAOYSA-N 374.400 3.746 0 40 FHAB CC(=O)Nc1ccc(CCNCC(C)(C)CN(C)Cc2ccccc2)cc1 76094443 SRQHZBWARUXVFH-UHFFFAOYSA-N 367.537 3.935 0 40 FHAB OC1=Nc2[nH]ncc2[C@@H](c2cccc(OCc3cccnc3)c2)SC1 79492166 JPCBEODEXNZRHU-QGZVFWFLSA-N 352.419 3.808 0 40 FHAB CCC(CC)C(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 95998735 LQZUPXDHAXGYCA-INIZCTEOSA-N 360.502 3.681 0 40 FHAB COCCCOc1cccc(CNC(=O)CCC(=O)c2ccc(F)cc2)c1 97020855 WIZJCOXTHQBPFQ-UHFFFAOYSA-N 373.424 3.520 0 40 FHAB C[C@@H]1[C@@H](NC(=O)CSc2nnc3sc4ccccc4n23)CCC[C@H]1C 102287422 RGNNLUFYIYXEMQ-AGIUHOORSA-N 374.535 3.977 0 40 FHAB CN(C)C1(CNC(=O)C23C[C@@H]4C[C@H](CC(Cl)(C4)C2)C3)CCCCC1 102350612 VYVKAPQLOVROSA-XYCLOBBJSA-N 352.950 3.945 0 40 FHAB CCc1cc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)n(C)n1 116513169 GNQIDNBEJWYQIV-UHFFFAOYSA-N 351.454 3.875 0 40 FHAB NC[C@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 218645747 CCBRIIRNEXJGBX-OWCLPIDISA-N 356.274 3.508 0 40 FHAB Cc1ccc([C@@H](C)NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1C 219139477 YUQGXOUVQFHYKX-MRXNPFEDSA-N 364.445 3.557 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(C)cc2C)c1 222603415 FKCVULFDGOIBOB-HOTGVXAUSA-N 357.450 3.965 0 40 FHAB O=C(COc1ccccc1F)NCCSCc1cccc(Cl)c1 222773816 XHCQSQGXUNXSSH-UHFFFAOYSA-N 353.846 3.908 0 40 FHAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1 223747303 GDISJFZYEDQYLE-QZTJIDSGSA-N 350.447 3.595 0 40 FHAB O=C(NCc1nccc(N2CCCCC2)n1)c1ccc(Cl)cc1Cl 224159676 PJYSUIOGDWEUPQ-UHFFFAOYSA-N 365.264 3.704 0 40 FHAB Cc1ccc(OCCNS(=O)(=O)Cc2c(F)cccc2Cl)c(C)c1 224181927 SDIGPGVRAHXBPY-UHFFFAOYSA-N 371.861 3.594 0 40 FHAB CCn1c(=O)sc2cc(NC(=O)COc3ccccc3Cl)ccc21 225101456 SNOZQZTVAUAFFJ-UHFFFAOYSA-N 362.838 3.754 0 40 FHAB COc1ccc(NC(=S)NCCCN2CCC[C@@H](C)C2)cc1Cl 225736215 OSYKRLXWTWRYEG-CYBMUJFWSA-N 355.935 3.757 0 40 FHAB O=C(NCc1ccc(-c2cccnc2)nc1)c1ccc(-n2cccc2)cc1 225765317 ULTAHVOTVJFLTC-UHFFFAOYSA-N 354.413 3.864 0 40 FHAB C[C@H](O)[C@@]1(O)C[C@@H]2[C@@H]3CC[C@]4(C)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]2(C)C1 253617621 ZOTNOPONJVMHKM-DGLCFUQUSA-N 350.543 3.892 0 40 FHAB O=C(Cc1ccsc1)N1CCC[C@H]1c1cccc(CN2CCCC2)n1 257334488 YGEDJUUGJLUFRZ-IBGZPJMESA-N 355.507 3.645 0 40 FHAB COc1ccc(-c2cnc3n2CCN(C(=O)CCc2ccccc2)C3)cc1 306145149 ZZNMWEVTVRJAHP-UHFFFAOYSA-N 361.445 3.534 0 40 FHAB CC[C@@H](C)NC(=O)c1cc2c(N3CCCC3)nc(SC)nc2s1 408622364 PVGCYBBJMKWTPG-SNVBAGLBSA-N 350.513 3.542 0 40 FHAB CCn1c(COc2ccccc2)nnc1SCc1ccc(C(=O)O)cc1 409384455 CEXWRTARKREODP-UHFFFAOYSA-N 369.446 3.868 0 40 FHAB CCCc1n[nH]c(=NC(=O)c2cc(Br)c(CC)s2)s1 573821548 ZTCCKDINSUZNOO-UHFFFAOYSA-N 360.302 3.551 0 40 FHAB COc1ccc(C(=O)NC[C@@H](c2cccs2)n2nc(C)cc2C)cc1F 575609406 BORBIWNDHONVNM-INIZCTEOSA-N 373.453 3.729 0 40 FHAB C[C@@H]1CCC[C@@H](N(C)c2nnc(-c3ccccn3)n2Cc2ccco2)C1 585085303 IZHCDXQOGYGZKV-HZPDHXFCSA-N 351.454 3.996 0 40 FHAB CN(C[C@@H]1CCc2nccn2C1)C(=O)Cc1coc2cc(Cl)ccc12 626551641 PFGXYZCCIDPBRE-ZDUSSCGKSA-N 357.841 3.546 0 40 FHAB C[C@H](N)C1CCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1 653048604 LRLXLDKXFFSITI-KRWDZBQOSA-N 361.489 3.889 0 40 FHAB O=C(NCc1ccc2occc2c1)N[C@@H]1CCO[C@@H](c2cccnc2)C1 661273182 JVCGVDIWXDVTRT-IEBWSBKVSA-N 351.406 3.547 0 40 FHAB Cc1ccc(CN2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)cc1 1888962478 RXBTXHRYGFXXPE-UHFFFAOYSA-N 365.452 3.756 0 40 FHAB O=C([C@H]1CCCCO1)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1889787110 IXATXTFNBLADOK-QGZVFWFLSA-N 359.857 3.558 0 40 FHAB O=C(C1CCN(Cc2ccc(Cl)cc2Cl)CC1)N1CCSCC1 2298212794 CYKMUOGTNQGUPQ-UHFFFAOYSA-N 373.349 3.781 0 40 FHAB Cc1ccc(NC(=O)N[C@@H](C[S@@](C)=O)c2ccccc2)cc1Cl 72306119 HREWPIYBZTVBNL-HJPURHCSSA-N 350.871 3.890 0 40 FHAB CC(C)(C)NC(=O)c1ccccc1NC(=O)N1CCc2ccccc2C1 78600521 LXVMHBFHBLOCSL-UHFFFAOYSA-N 351.450 3.805 0 40 FHAB c1ccc(-c2cn(-c3ccccc3)c3ncnc(N4CCOCC4)c23)cc1 1447538 FEPQUNICZMPNCH-UHFFFAOYSA-N 356.429 3.924 0 40 FHAB COc1coc(CSc2nnc(NC3CCCCC3)s2)cc1=O 79063401 JTLSHOZMIQFJTD-UHFFFAOYSA-N 353.469 3.537 0 40 FHAB O=C(NC1CCCCC1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 4385267 KEVHXFSZCNRIJH-NSHDSACASA-N 355.265 3.795 0 40 FHAB COC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1c(F)cccc1F 6317810 IGHSOCAKXPYCOJ-QGZVFWFLSA-N 374.412 3.848 0 40 FHAB O=C(c1ccc(N2CCCCC2)cc1)N1CCN(c2ccc(F)cc2)CC1 7505055 BJDXYOGFCUZDFB-UHFFFAOYSA-N 367.468 3.778 0 40 FHAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc2c(n1)[C@]1(C)CC[C@@H]2C1(C)C 100265426 BHHDRZXOUBBXFT-PSUSHLJKSA-N 374.554 3.928 0 40 FHAB CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccc(C(C)C)cc1 1066098 WNCYTPJTVBZGQZ-KRWDZBQOSA-N 358.463 3.633 0 40 FHAB O=C(CSc1ccc(Cl)cc1)Nc1nnc([C@@H]2CCCO2)s1 28232545 WDXDPVAYCVZHMT-NSHDSACASA-N 355.872 3.774 0 40 FHAB O=C(Nc1ccc(-n2cncn2)nc1)c1ccc(SC(F)(F)F)cc1 12528372 ZLICVJDYLCNXHQ-UHFFFAOYSA-N 365.340 3.527 0 40 FHAB Cc1cc(C(=O)N2CCN(c3nc4c(C(C)C)cccc4s3)CC2)no1 9205069 KSZMGUVQKKOYHI-UHFFFAOYSA-N 370.478 3.679 0 40 FHAB COc1ccc(CNC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cn1 43907476 NUFDWRGNQSEHGX-UHFFFAOYSA-N 369.421 3.844 0 40 FHAB CCOc1ncccc1CNC(=O)N[C@H](C)c1ccccc1OC(F)F 26156194 KKDOAMXQONVOEG-GFCCVEGCSA-N 365.380 3.642 0 40 FHAB O=C1C[C@H](c2nc(-c3cccc(Cl)c3)no2)CN1Cc1ccccc1 107830799 YVKOFWFWZBKALP-HNNXBMFYSA-N 353.809 3.906 0 40 FHAB COCC(=O)Nc1cccc(NC(=O)N(C)Cc2ccc(Cl)cc2)c1 44108097 OTGUHMCSCQPMLK-UHFFFAOYSA-N 361.829 3.589 0 40 FHAB CN(C(=O)COC(=O)C1(c2ccccc2F)CCCC1)c1ccccc1 3253815 DXNNLGBKNMQSKE-UHFFFAOYSA-N 355.409 3.844 0 40 FHAB CCc1ccc(NC(=O)c2ccn(Cn3nc(C)c(Cl)c3C)n2)cc1 28237519 PHNCOJGOXUCTKU-UHFFFAOYSA-N 357.845 3.670 0 40 FHAB CCC(=O)N[C@H](CCSC)C(=O)N[C@H](C)c1ccc2ccccc2c1 54057708 MXGLUMOFUQEJSP-RDTXWAMCSA-N 358.507 3.665 0 40 FHAB COC[C@H](Cc1ccccc1)NC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 72309313 KVHMMHKXPRSEJH-KRWDZBQOSA-N 357.498 3.749 0 40 FHAB CN(C)c1cc(CNC(=O)CCc2ccc(F)cc2)c2ccccc2n1 72304646 ULUNLSPMVCWIDL-UHFFFAOYSA-N 351.425 3.689 0 40 FHAB O=C(Cc1csc(-c2ccsc2)n1)NCc1cccc2c1OCCO2 58307252 PEYPABXKQBRZOE-UHFFFAOYSA-N 372.471 3.502 0 40 FHAB Cc1ccc(OCc2nc(C)c(C(=O)NCCc3ccco3)s2)cc1 12782778 YTHJSGGGGJPKNM-UHFFFAOYSA-N 356.447 3.904 0 40 FHAB COc1cc2c(cc1OC)-c1cc(Oc3ccccc3C)nc(=O)n1CC2 2239247 XJQRLNDCPPFZIU-UHFFFAOYSA-N 364.401 3.584 0 40 FHAB biogenic COc1ccc(CN(C)C(=O)/C=C/c2ccc3c(c2)OCCCO3)cc1 12758987 USTRVZJWPHGQTO-YRNVUSSQSA-N 353.418 3.528 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)O[C@@H](C(=O)N(C)C)c1ccccc1 10926205 XTDCJOGBUIZMEV-LJQANCHMSA-N 366.392 3.669 0 40 FHAB Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3481586 JJOKRFUPCNPIPL-UHFFFAOYSA-N 372.490 3.812 0 40 FHAB O=C(COC(=O)c1ccc(Cl)cc1)NCCc1ccc(Cl)cc1 3512104 WFTSIXGLUGFKOJ-UHFFFAOYSA-N 352.217 3.509 0 40 FHAB COc1ccc(-c2cc(CSc3nnnn3-c3ccccc3)on2)cc1 8939559 NGLYVPTZHIAVBB-UHFFFAOYSA-N 365.418 3.618 0 40 FHAB O=C(Cn1ccc2ccc(F)cc21)Nc1nc(-c2ccccn2)cs1 71285894 FFDIHZNMAZHFED-UHFFFAOYSA-N 352.394 3.938 0 40 FHAB Cc1ccc(C)c(-n2nnnc2SCC(=O)c2ccc(Cl)s2)c1 6099024 UMKFIZLIAIQGQJ-UHFFFAOYSA-N 364.883 3.969 0 40 FHAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)NCc1ccc(F)cc1 6060301 NIEPMDVHLATKEJ-UHFFFAOYSA-N 356.180 3.606 0 40 FHAB O=C1NC2(CCCCCCC2)C(=O)N1Cc1ccccc1Br 9114461 AGEVBPSUZLIATI-UHFFFAOYSA-N 365.271 3.984 0 40 FHAB CCN1CCN(c2nc(-c3cccnc3)nc3sc(C)c(C)c23)CC1 9218585 GPBCHLLNMYKKES-UHFFFAOYSA-N 353.495 3.512 0 40 FHAB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccccc2)C1=O 4470692 OZDHSQXNTUSODV-LFIBNONCSA-N 352.415 3.670 0 40 FHAB O=C(c1cccnc1S)N1CCC(c2nc3ccccc3s2)CC1 14058895 LMVOJBCODXIHPS-UHFFFAOYSA-N 355.488 4.000 0 40 FHAB CCc1ccc(C(=O)[C@@H](C)Sc2nnnn2-c2ccccc2C)cc1 5352865 XGCRFVUSXNFOMV-CQSZACIVSA-N 352.463 3.897 0 40 FHAB COc1ccc([C@@H](NC(=O)c2ccc3c(c2)OCO3)c2ccccc2)cc1 14118990 MUFZMYXMWZQJPH-NRFANRHFSA-N 361.397 3.943 0 40 FHAB CC(C)n1cnn(CN(C)Cc2ccccc2Br)c1=S 14205620 KIZJMYLEQPQHGG-UHFFFAOYSA-N 355.305 3.847 0 40 FHAB CCN(CC)S(=O)(=O)c1cccc(-c2cn3cc(Cl)ccc3n2)c1 5458253 JPTMNUFKJOFRPH-UHFFFAOYSA-N 363.870 3.685 0 40 FHAB O=C1N[C@@]2(CCCc3sccc32)C(=O)N1Cc1c(F)cccc1Cl 5680396 WUEIJEQDMJJJRB-QGZVFWFLSA-N 364.829 3.824 0 40 FHAB C[C@H](CNC(=O)COc1ccc(Oc2ccccn2)cc1)c1nccs1 96014081 JIRKDDOKBVIBEC-CQSZACIVSA-N 369.446 3.629 0 40 FHAB COc1ccc(Br)cc1COC(=O)c1n[nH]c2ccccc12 8153021 USLGLVORFXMYRO-UHFFFAOYSA-N 361.195 3.691 0 40 FHAB COc1ccc(-c2nnc([C@@H](C)OC(=O)c3cccc(C)c3O)o2)cc1 8213380 MZRKZCPKTRDPCT-GFCCVEGCSA-N 354.362 3.677 0 40 FHAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@H](C)c2cccnc2)cc1 8390186 PYSPRNBYWKFHEC-CQSZACIVSA-N 365.433 3.685 0 40 FHAB O=C(CCc1ccc2ccccc2n1)O[C@@H](C(=O)NC1CC1)c1ccccc1 17890368 TYOAVIIOVZFLMQ-JOCHJYFZSA-N 374.440 3.731 0 40 FHAB Cc1nc2ccc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)cc2s1 18080849 JXFUDZFGINJXCJ-UHFFFAOYSA-N 369.446 3.689 0 40 FHAB O=C(CCc1ccccc1)Nc1ccc(-n2cc(Br)cn2)nc1 72401821 HCZZCYRDVXFHFF-UHFFFAOYSA-N 371.238 3.601 0 40 FHAB Cc1cc(C(=O)N2CCCSc3ccccc32)c2c(C)nn(C)c2n1 24499883 HJPAIQDSENLJOP-UHFFFAOYSA-N 352.463 3.728 0 40 FHAB COc1ccc2nc(SC[C@@H]3CN(c4ccccc4)C(=O)O3)[nH]c2c1 95960308 PJEHWJPYQPWWFC-AWEZNQCLSA-N 355.419 3.689 0 40 FHAB CCC1(O)CCC(NC(=O)c2ccccc2NC(=O)c2cccs2)CC1 95983681 WJCYJDILDIZRQN-UHFFFAOYSA-N 372.490 3.814 0 40 FHAB C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)OCc1cccc2nccn12 89598278 UDKPMQAADDWZKR-GFCCVEGCSA-N 364.323 3.864 0 40 FHAB COc1ccc([C@@H]2C[C@H]2C(=O)N2CCC(O)(c3ccccc3C)CC2)cc1 75148641 NBQGJAYUCBMJMV-VQTJNVASSA-N 365.473 3.617 0 40 FHAB O=C(/C=C/SCc1ccco1)NC1CCN(Cc2ccccc2)CC1 75109527 JCCCENKMROUZHZ-GXDHUFHOSA-N 356.491 3.807 0 40 FHAB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCC[C@H]1C 409003832 VHYJRZFVRHQZSF-LSBZLQRGSA-N 371.481 3.520 0 40 FHAB CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3ccsc3)sc2C1 25247916 CAYFINNPSSVWJB-UHFFFAOYSA-N 365.480 3.750 0 40 FHAB CCc1c(C)sc2nc(NCCOC)n3nc(-c4ccccc4)nc3c12 32103294 CGRXSBFJHARMAB-UHFFFAOYSA-N 367.478 3.935 0 40 FHAB CCc1cccc2c1OCC[C@@H]2NC(=O)c1cnn(Cc2ccccc2)c1 507004452 ZWDJUNAMJYRINT-FQEVSTJZSA-N 361.445 3.747 0 40 FHAB Cc1ccc(C(=O)N2Cc3cn(-c4ccccc4)nc3-c3ccn(C)c3C2)o1 306133920 MZECUBBRIVQZCL-UHFFFAOYSA-N 372.428 3.935 0 40 FHAB O=C(NC1CCCC1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408676360 NINWGUKZOYAQLO-UHFFFAOYSA-N 350.393 3.987 0 40 FHAB CC1(C)[C@H](c2cccc(F)c2)CCN1C(=O)c1ccc(N2CCC2)nc1 530036821 FVQYOCAGJCDGCJ-SFHVURJKSA-N 353.441 3.839 0 40 FHAB COc1ccc(C(=O)CSC2=N[C@H]3Nc4ccccc4[C@H]3N=N2)cc1 38536843 HPLDVWRPFLMWHS-IAGOWNOFSA-N 352.419 3.926 0 40 FHAB CNc1ncc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1C 72219018 MZPRVZNULNUUBI-GOSISDBHSA-N 359.495 3.656 0 40 FHAB O=C(NCc1cnc2n1CCCC2)N1CCC[C@H]1Cc1ccccc1Cl 560113906 MLVULXXEBHZCAS-INIZCTEOSA-N 372.900 3.790 0 40 FHAB Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cnc2ccnn12 38829560 HYIGLTYXOWEFPG-UHFFFAOYSA-N 354.719 3.962 0 40 FHAB CC(=O)Nc1ccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 39766623 PUIQSMWEYOYGHB-UHFFFAOYSA-N 365.477 3.804 0 40 FHAB CCOC(=O)N[C@H](c1ccccc1)[C@H](NC(=O)OCC)c1ccccc1 34628450 XLVUNZREAKZJQV-QZTJIDSGSA-N 356.422 3.961 0 40 FHAB COc1cccc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)oc12 13684108 AUXHDTBJXFJWBC-UHFFFAOYSA-N 354.381 3.543 0 40 FHAB biogenic O=C(NCCc1nc(C2CC2)cc(C(F)(F)F)n1)c1cccc(Cl)c1 77101130 SNQSPXQTPIBSMK-UHFFFAOYSA-N 369.774 3.999 0 40 FHAB O=C(NCc1cccnc1-c1ccsc1)c1ccc2nsnc2c1 225645056 CBJANUJSHPYVSM-UHFFFAOYSA-N 352.444 3.745 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCc1ccc2c(c1)OCO2 139155386 MJYMKSHPYKNVOR-AWEZNQCLSA-N 368.433 3.515 0 40 FHAB Cc1nn(C)cc1[C@H]1SCC(O)=Nc2c1c(C)nn2-c1ccccc1 44917769 RTJLQSPBPHELOG-QGZVFWFLSA-N 353.451 3.647 0 40 FHAB COc1cccc(-c2noc(CN(C)C(=O)c3cc(C)ccc3C)n2)c1 225781705 WDZBVICWVPCGMD-UHFFFAOYSA-N 351.406 3.634 0 40 FHAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc[nH]2)c1 224519952 FAAKWUMJNLCXIZ-ZWKOTPCHSA-N 350.447 3.595 0 40 FHAB Cc1cc(C(=O)N2CCN=C(O)C[C@@H]2c2ccccc2)nn1[C@@H](C)C1CC1 329518349 ZIOIQMAGMRMOOR-HNAYVOBHSA-N 366.465 3.706 0 40 FHAB O=C(c1nnn(-c2ccc(F)cc2)n1)N(Cc1ccccc1)c1ccccc1 77100328 UECWSHQODLZLRG-UHFFFAOYSA-N 373.391 3.648 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 223504561 WXLWIFNRYBFYFN-QGZVFWFLSA-N 370.518 3.641 0 40 FHAB CCn1c(SCC(=O)Nc2ccccn2)nnc1-c1ccc(Cl)cc1 47080763 BYOYWQFIJZONLD-UHFFFAOYSA-N 373.869 3.744 0 40 FHAB CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1 144852662 RADMIBNHYAUTFV-UHFFFAOYSA-N 360.660 3.928 0 40 FHAB O=C(O)c1ccc([C@H]2SCC(O)=Nc3ncn(-c4ccccc4)c32)cc1 95474382 BXNXFYRTAQXOCS-QGZVFWFLSA-N 365.414 3.995 0 40 FHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc2c(n1)[C@@]1(C)CC[C@H]2C1(C)C 245229573 BHHDRZXOUBBXFT-POLYTFBCSA-N 374.554 3.928 0 40 FHAB C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2cncc(N3CCCC3=O)c2)C1 625872073 JOEXTODBWZVXJW-IFXJQAMLSA-N 367.424 3.571 0 40 FHAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)c12 606204284 QVXABVKVNRFHBN-YDHLFZDLSA-N 366.490 3.924 0 40 FHAB COc1cc(C)c(Cl)cc1S(=O)(=O)Oc1cccc(C(C)=O)c1 1776004513 TWQHHASGGXRYKQ-UHFFFAOYSA-N 354.811 3.627 0 40 FHAB COc1ccc2c(c1)OC[C@H](C(=O)N1CC[C@@H](c3ccccc3)[C@H]1C)C2 75107420 UEZHWAPKVBLNNP-XFQXTVEOSA-N 351.446 3.651 0 40 FHAB COc1cc2c(cc1CN(Cc1ccc(F)cc1)C[C@@H]1CCCO1)OCO2 12187067 BXWUSMNZICOWLG-SFHVURJKSA-N 373.424 3.744 0 40 FHAB COc1ccccc1N1C[C@H](C(=O)Nc2cccc(C(C)C)c2)CC1=O 12780704 SRNGMIXYXUURNV-MRXNPFEDSA-N 352.434 3.810 0 40 FHAB Cc1ccc(C)c(OCC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1 13005944 LJWVBOZBMVEILK-SFHVURJKSA-N 356.466 3.619 0 40 FHAB CCCC[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2ON1c1ccccc1 13138545 PRSOMMYGWKCUOK-OTWHNJEPSA-N 350.418 3.555 0 40 FHAB Cc1cccc(C(=O)NCc2ccccc2F)c1NC(=O)c1ccco1 14241237 YCIGSEJOJYJDSU-UHFFFAOYSA-N 352.365 3.909 0 40 FHAB Cc1nc(NC(=O)Nc2ccc(Cl)cc2)nc(O)c1Br 16249501 KISJFKSXTSPTFA-UHFFFAOYSA-N 357.595 3.551 0 40 FHAB Cc1ccc([C@H](C)C(=O)N2CCC(c3nnc4n3CCCCC4)CC2)cc1 19135865 TVRLOLWJSKUFBD-KRWDZBQOSA-N 366.509 3.823 0 40 FHAB CCCC12CN3CC(CCC)(CN(C1)C3c1cc3ccccc3[nH]1)C2=O 19320510 ILNTXMBBBBVQOO-UHFFFAOYSA-N 351.494 3.953 0 40 FHAB O=c1cc([C@H]2CCCCN2Cc2cccs2)[nH]c(-c2ccccn2)n1 19402761 APVVLQULSOTBME-QGZVFWFLSA-N 352.463 3.621 0 40 FHAB CCc1[nH]c(=O)c(C(=O)Nc2ccc(-n3ccnc3C(C)C)cc2)cc1C 19521483 UVVNSWKKUWGFOJ-UHFFFAOYSA-N 364.449 3.807 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cccc(-n2cccn2)c1)CC3 19563331 FNZOYDLSSNMCAD-UHFFFAOYSA-N 372.428 3.561 0 40 FHAB COc1cnccc1-c1noc([C@H]2CCN(c3ccccc3Cl)C2)n1 519731471 IHZDEPIDAKBGCS-LBPRGKRZSA-N 356.813 3.788 0 40 FHAB CNC(=O)NC(=O)[C@@H](Sc1nc2ccccc2s1)c1ccccc1 3557387 YWYKJDVFOGELEO-AWEZNQCLSA-N 357.460 3.585 0 40 FHAB COc1ccc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)cc1O 6786662 MLRJGMXKWMJRQJ-XYOKQWHBSA-N 354.793 3.708 0 40 FHAB Cc1cc(Nc2ncc(C)s2)nc([C@H]2CCN(Cc3cccnc3)C2)n1 2037835925 KYRXQGBAWSWGMA-INIZCTEOSA-N 366.494 3.678 0 40 FHAB Cc1ccc(CN2C(=O)CC[C@@]23CCCN(Cc2cccnc2)CC3)cc1 1565542515 KONWCOOLVKNPQD-HSZRJFAPSA-N 363.505 3.937 0 40 FHAB COc1cc(OC)cc(-c2nnc(NC(=O)c3ccc(Cl)s3)o2)c1 4330134 QNVSCTMRYDVNFL-UHFFFAOYSA-N 365.798 3.721 0 40 FHAB COC(=O)NC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C)c1C 5145098 OGHWQCSQANYEIT-UHFFFAOYSA-N 366.826 3.767 0 40 FHAB CCS(=O)(=O)c1ccc(CC(=O)Nc2cccc3ccccc23)cc1 10253156 AUDRHFWSPKWINO-UHFFFAOYSA-N 353.443 3.815 0 40 FHAB CC(C)Sc1ccc(CC(=O)Nc2cccc3c2C(=O)N(C)C3=O)cc1 12071106 GZTRODJBQNWIGI-UHFFFAOYSA-N 368.458 3.594 0 40 FHAB Cc1cc(C(=O)N(C[C@H]2CCCO2)c2nc3c(C)cccc3s2)on1 12422325 AIYHVKYICCKORF-CYBMUJFWSA-N 357.435 3.727 0 40 FHAB Cc1ccccc1NC(=O)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 206845647 QQNIVALKHZGRNL-MRXNPFEDSA-N 364.405 3.676 0 40 FHAB CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2ccccc2)NC(=S)N1 641287 VNKHPRIMZGPPJJ-SFHVURJKSA-N 351.475 3.735 0 40 FHAB CSCC[C@@](C)(O)CNC(=O)NC(c1ccccc1)c1ccccc1 75157701 QOCIZEOJQVAHQR-HXUWFJFHSA-N 358.507 3.579 0 40 FHAB O=C(NCCOc1ccccc1)NCCc1ccc(C(F)(F)F)cc1 31045904 CHCJAGIQDZKCCO-UHFFFAOYSA-N 352.356 3.626 0 40 FHAB CSc1ccccc1NC(=O)CN(C)[C@@H](C)c1nc(C(C)(C)C)no1 31042626 OBEYWCCXYKRXCP-LBPRGKRZSA-N 362.499 3.721 0 40 FHAB O=C(NCCSc1ccccc1)c1ccc(N2CCCCC2=O)cc1 31492445 ZKRTWZINRSZNSW-UHFFFAOYSA-N 354.475 3.726 0 40 FHAB CCCCNC(=O)CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 20397474 QZFIZULIQRZAFQ-OAHLLOKOSA-N 359.495 3.656 0 40 FHAB COC(=O)c1ccc(NC(=O)CCCc2nc(-c3cccs3)no2)cc1 31664126 GVQNAGXWQZCSGC-UHFFFAOYSA-N 371.418 3.546 0 40 FHAB Cc1cccc(NC(=O)c2cn(-c3ccccc3Br)nn2)c1 31872347 QJNPZKDVBQZQSM-UHFFFAOYSA-N 357.211 3.591 0 40 FHAB CC[C@@H](NCc1cc(=O)n2nc(C)sc2n1)C12CC3CC(CC(C3)C1)C2 51993291 QWNUXDLTHFSLMA-SJFHUFEGSA-N 372.538 3.544 0 40 FHAB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 101907423 GQMOSJOYIROHCO-GJZGRUSLSA-N 353.409 3.800 0 40 FHAB O=[S@](CCOc1ccc(Cl)cc1)Cc1nc(-c2cccs2)no1 32801067 KZNLZDQSVLIZAU-QHCPKHFHSA-N 368.867 3.779 0 40 FHAB COc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccco4)CC3=Nc3ncnn32)cc1 102676155 UGRPTGZPIGUTPB-ORAYPTAESA-N 362.389 3.945 0 40 FHAB COc1ccccc1CC(=O)N1CCC(c2nc3ccccc3o2)CC1 21915430 MDSZMXJSQGHLAV-UHFFFAOYSA-N 350.418 3.785 0 40 FHAB Cc1ccc(N[C@H](NC(=O)c2ccccn2)C(Cl)(Cl)Cl)cc1 836832 YXFOQVHWWKLSAF-CQSZACIVSA-N 358.656 3.928 0 40 FHAB CSc1nnc2n(C)c(=O)c3c4c(sc3n12)C[C@H](C(C)(C)C)CC4 2296444 LKCOPHUWASFLRQ-SECBINFHSA-N 362.524 3.516 0 40 FHAB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(F)cc1 2318059 VLYSYGHIYCUKHR-GOSISDBHSA-N 369.396 3.603 0 40 FHAB Cc1cnn([C@@H](C)c2nnc(Nc3ccn(Cc4ccccc4)n3)s2)c1 2730723 SNMHURDGDUBRHK-AWEZNQCLSA-N 365.466 3.641 0 40 FHAB NC1=Nc2nc3ccccc3n2[C@H](c2cccc(Oc3ccccc3)c2)N1 3164359 HBHABMJNQNMUFE-LJQANCHMSA-N 355.401 3.925 0 40 FHAB CC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CCC3 3288082 JSJNMCXWASBAFT-UHFFFAOYSA-N 370.499 3.925 0 40 FHAB O=C(CN1CC=C(c2ccccc2)CC1)Nc1ccc2c(c1)OC(F)(F)O2 3343840 QKQLXHOVMACLDD-UHFFFAOYSA-N 372.371 3.736 0 40 FHAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(N2CCCC2=O)cc1 3412534 SSZCOEDRNAXKIS-UHFFFAOYSA-N 362.351 3.762 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 3436546 DJZLZIOSXNBRBQ-QPJJXVBHSA-N 373.792 3.572 0 40 FHAB C[C@@H](OC(=O)c1ccc(OC(F)F)cc1)C(=O)Nc1ccccc1F 3495419 ZHJOGGUKIFJQQG-SNVBAGLBSA-N 353.296 3.611 0 40 FHAB COc1ccc(Cl)cc1C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cn1 3497822 HTONUIPDRWBDFB-SECBINFHSA-N 369.204 3.581 0 40 FHAB O=C(COc1ncnc2sc3c(c12)CCC3)N1CCCc2ccccc21 3600086 HBPUZURKFDWKLH-UHFFFAOYSA-N 365.458 3.538 0 40 FHAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)cc1 4385212 AXTGXJZWVCYYFY-MRXNPFEDSA-N 352.434 3.694 0 40 FHAB COc1ccc(-c2nnc3sc(-c4cccc(F)c4)nn23)cc1OC 4511708 SEOBZSBWJYZXGB-UHFFFAOYSA-N 356.382 3.676 0 40 FHAB O=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)NC(=S)N1C1CC1 4677866 UNQFBHAVYAYJDO-UNOMPAQXSA-N 373.481 3.910 0 40 FHAB CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc3ccccc3c1)CC(=O)N2 4944284 JQLMTQGCYXKFFM-CQSZACIVSA-N 351.431 3.509 0 40 FHAB C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)NC1CCCC1 5333069 BKZLBEZVDWCMAR-GFCCVEGCSA-N 374.485 3.959 0 40 FHAB CC[C@@H]1CCc2c(sc(NC(=O)c3ccccc3OC)c2C(N)=O)C1 6119458 MZBOCADIBQRXAW-LLVKDONJSA-N 358.463 3.623 0 40 FHAB Cc1cccc(OCc2nnc(SCC(=O)c3ccccc3)n2C)c1 6504376 LVGQGZGRSYLTAX-UHFFFAOYSA-N 353.447 3.678 0 40 FHAB COc1cc(CSc2nnnn2-c2ccccc2)ccc1OC(F)F 7121220 RVFXUWVYCRRWRX-UHFFFAOYSA-N 364.377 3.565 0 40 FHAB O=C(O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1cc[n+]([O-])cc1 7681501 LMPMFZPOIKKJSA-NRFANRHFSA-N 372.380 3.582 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H]1CCOc2ccccc21 7964755 IIXZAPCNUDEFFA-WOJBJXKFSA-N 362.429 3.591 0 40 FHAB CCCCc1ccc(-n2nnnc2SCC(=O)NC2CCCCC2)cc1 8229791 ZRDZCPXKSNIYFG-UHFFFAOYSA-N 373.526 3.546 0 40 FHAB O=C(COc1cccc(C(F)(F)F)c1)NCCSc1ccccc1 8361073 NDHVNWQNCZQQQJ-UHFFFAOYSA-N 355.381 3.993 0 40 FHAB CC(=O)NCc1ccc(C(=O)CSc2nc3ccccc3s2)cc1 8447914 BKIZAPVGPBLFTN-UHFFFAOYSA-N 356.472 3.907 0 40 FHAB Cc1c(Cl)cccc1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O 8490634 MZPDDGOYHZDXKG-UHFFFAOYSA-N 367.792 3.743 0 40 FHAB O=C(CSc1nc(-c2cccs2)n[nH]1)N1CCCc2ccccc21 8686177 OGYOZPOHIIPGGA-UHFFFAOYSA-N 356.476 3.605 0 40 FHAB C[C@H](OC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)C(=O)c1ccc(F)cc1 8716344 MOYFPTGKNYPHHC-QWRGUYRKSA-N 373.405 3.687 0 40 FHAB COc1ccc(-c2noc(CCC(=O)N3CCCc4ccccc43)n2)cc1 8757441 LPDSBSISCSYUAK-UHFFFAOYSA-N 363.417 3.657 0 40 FHAB Cc1cc(C(=O)Nc2nc(-c3nc4ccccc4s3)cs2)nn1C 9001790 XNCZDRBQSYKHRI-UHFFFAOYSA-N 355.448 3.714 0 40 FHAB COc1ccc(-c2n[nH]c(SCC(=O)N[C@H](C)c3cccs3)n2)cc1 9155288 GNBHCUBYYUSIQN-LLVKDONJSA-N 374.491 3.511 0 40 FHAB Cc1nc(Nc2ncc3c(n2)C[C@H](c2ccco2)CC3=O)nc2ccccc12 9313428 SOWMNGYOGMGOPK-ZDUSSCGKSA-N 371.400 3.978 0 40 FHAB O=C(Cc1csc(NC(=O)NC2CCCCC2)n1)Nc1ccccc1 9785153 XSQCSOSGBRKYEE-UHFFFAOYSA-N 358.467 3.779 0 40 FHAB COc1ccc(NC(=O)CSc2nnc(C)c3ccccc23)c(OC)c1 9970823 URVNWVQFGNXABZ-UHFFFAOYSA-N 369.446 3.686 0 40 FHAB Cc1ccc2nc(COc3cccc(C(=O)Nc4cccnc4)c3)cn2c1 11609013 ZIELBMPCAXJXOG-UHFFFAOYSA-N 358.401 3.869 0 40 FHAB C[C@@H]1CCc2noc(C3CCN(C(=O)Cc4ccccc4F)CC3)c2C1 12119823 ZQPDVZSXTSETTG-CQSZACIVSA-N 356.441 3.887 0 40 FHAB CCn1/c(=N\C(=O)c2cc(OC)cc(OC)c2)sc2cc(C)ccc21 12180860 KRDKGMNMTPHXIL-FMQUCBEESA-N 356.447 3.789 0 40 FHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H](C)c1nc2ccccc2[nH]1 12539816 DQJHUGOBUGOJCH-CYBMUJFWSA-N 362.437 3.688 0 40 FHAB O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12581782 OHCWNTOEFKDKEN-WMZOPIPTSA-N 367.836 3.884 0 40 FHAB CCCn1c(SCC(=O)Nc2nnc(C3CC3)s2)nc2ccccc21 12640008 HIUCANKVZIQYEL-UHFFFAOYSA-N 373.507 3.906 0 40 FHAB CC[C@H](OC(=O)/C=C/c1nc2ccccc2o1)C(=O)Nc1ccccc1 12859900 XPGULEXJBRJMMY-DBTPVHCXSA-N 350.374 3.802 0 40 FHAB CC[C@@H](NC(=O)Cn1c(S)nnc1-c1cccs1)c1ccc(C)cc1 12860102 RPOFCPFWKFBLLB-CQSZACIVSA-N 372.519 3.871 0 40 FHAB O=C(N[C@@H]1CCc2ccccc21)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 12998620 MKAXWWINVJWXFG-WIYYLYMNSA-N 370.452 3.996 0 40 FHAB COc1ccccc1NC(=S)N1CCN(/C=C/c2ccccc2)CC1 13576506 DUMZCOMRXAGRQN-VAWYXSNFSA-N 353.491 3.681 0 40 FHAB CC(C)Cc1cc(-c2nnc3sc(-c4cccc(N(C)C)c4)nn23)n[nH]1 13693439 HCCDNKLUDCLDTQ-UHFFFAOYSA-N 367.482 3.507 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1ccc(N2CCCC2=O)cc1 14181392 HQFADEZDLXWDMG-OAHLLOKOSA-N 368.433 3.536 0 40 FHAB CCOc1ccc(OCc2ccc(C(=O)NCc3ccncc3)cc2)cc1 15930985 FWPDQOQMKNHMFB-UHFFFAOYSA-N 362.429 3.989 0 40 FHAB CC(=O)c1cccc(NC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c1 15935887 RBQYMPOBFQLPTJ-UHFFFAOYSA-N 371.481 3.582 0 40 FHAB CC(C)N1C(=O)S/C(=C\c2cccn2-c2ccc(C(=O)O)cc2)C1=O 16575395 JEGHAYVGCWNPBG-GDNBJRDFSA-N 356.403 3.620 0 40 FHAB CCc1nc2sc([C@H](c3ccco3)N3C[C@H](C)C[C@@H](C)C3)c(O)n2n1 16690140 WEYKRRMZTFAVNK-JMSVASOKSA-N 360.483 3.719 0 40 FHAB COc1ccc(C(=O)NCc2c(-c3ccccc3)nc3n2CCS3)cc1 16953370 PPOOXGSUBMSFQX-UHFFFAOYSA-N 365.458 3.594 0 40 FHAB CC1(C)CC(=O)C(C(c2ccco2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 18254619 SWLGCMRBMORPCT-UHFFFAOYSA-N 358.434 3.512 0 40 FHAB COc1cccc(OC)c1C(=O)N[C@H](C)c1ccc(Br)cc1 20025465 XNPSPBKYLBGUBK-LLVKDONJSA-N 364.239 3.957 0 40 FHAB COC(=O)c1cccc(NC(=O)c2ccc(NC(=O)CC(C)C)cc2)c1 20103064 NRLVRDVNIOESMD-UHFFFAOYSA-N 354.406 3.710 0 40 FHAB CCCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(C)cc1)C3 20632489 NWCSMCRYDBCFQZ-CQSZACIVSA-N 352.463 3.848 0 40 FHAB O=C1Nc2ccccc2CC[C@@H]1Sc1nnc(Cc2ccccc2)o1 20737778 IIQSODXRLJQMFT-INIZCTEOSA-N 351.431 3.706 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)Sc2nncn2-c2ccccc2)c(F)c1 22942879 ONZHFCRILILALR-CYBMUJFWSA-N 356.426 3.834 0 40 FHAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(F)c1 24372797 AHLQPZFJUJNYHM-KRWDZBQOSA-N 358.413 3.900 0 40 FHAB COc1ccc(C)cc1CN(C)C(=O)c1ccc(N2CCCCC2=O)cc1 24501624 NOLGOOCZQVAYLF-UHFFFAOYSA-N 366.461 3.793 0 40 FHAB C[C@H](CNC(=O)COc1ccc2ccccc2c1)N1CCc2ccccc2C1 25634669 YJZFMLGGFFEKEF-GOSISDBHSA-N 374.484 3.782 0 40 FHAB CC(C)CN1CCO[C@H](CNC(=O)c2sccc2-c2ccccc2)C1 28011662 YLHMMXAFQXWODP-QGZVFWFLSA-N 358.507 3.502 0 40 FHAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(-n2cncn2)nc1 28088293 HNEPYZSXDLRKRH-UHFFFAOYSA-N 355.401 3.511 0 40 FHAB CC(C)[C@@H](OC(=O)c1ccc2cn[nH]c2c1)C(=O)Nc1ccccc1F 30668852 WSBASNWLRADSDE-QGZVFWFLSA-N 355.369 3.522 0 40 FHAB Cc1ccc(-c2cc(C(=O)NC[C@H]3CCN(c4ccccc4)C3)on2)cc1 31403313 XIAQDNYSDZLYIG-QGZVFWFLSA-N 361.445 3.906 0 40 FHAB O=S(=O)(NCCCOCc1ccccc1)c1ccc(Cl)c(Cl)c1 32814223 ZYACQCBEUYVVDY-UHFFFAOYSA-N 374.289 3.879 0 40 FHAB CC(=O)N[C@@H](CC(=O)N1CCC(Cc2ccccc2)CC1)c1cccs1 32879229 FIYSCGVADCVTMR-IBGZPJMESA-N 370.518 3.797 0 40 FHAB O=C1NC(=O)/C(=C\c2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)S1 33463155 UVAXKQBKLAXFFH-OQLLNIDSSA-N 372.833 3.594 0 40 FHAB N#Cc1ccccc1COc1ccc(Br)cc1/C=C/C(=O)O 33654215 FUBVJGKIBXVCMM-VMPITWQZSA-N 358.191 3.998 0 40 FHAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1csc(-c2ccco2)n1 40052385 JAWXTQJBEACODT-CQSZACIVSA-N 357.435 3.563 0 40 FHAB Cc1ccc(C)c(NC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)c1 40073288 DQADRBUNTYZXPU-IBGZPJMESA-N 350.462 3.723 0 40 FHAB O=C(CSCc1cccs1)NCCCN1CCc2ccccc2C1 40074204 QOBFDTKLWWQEEF-UHFFFAOYSA-N 360.548 3.546 0 40 FHAB CCOc1ccccc1CNCC[C@@](O)(c1ccc(C)o1)C(F)(F)F 40088621 SZITWVNRXRHMNN-QGZVFWFLSA-N 357.372 3.917 0 40 FHAB Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2)c(Br)c1 42646412 VTZLFAHGSMWTEA-GFCCVEGCSA-N 361.239 3.573 0 40 FHAB Cc1cc(C)cc(NC(=O)COc2cc(C)nc(N3CCC(C)CC3)n2)c1 44169107 ZOGORVKKUMRVJZ-UHFFFAOYSA-N 368.481 3.656 0 40 FHAB CCc1ccccc1NC(=O)CN1C(=O)COc2cc(C(C)(C)C)ccc21 44841406 LPQJJFUFVYWDTC-UHFFFAOYSA-N 366.461 3.911 0 40 FHAB O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1cccc(-n2cccc2)c1 48277626 VFSLOAWCIGMGSZ-NRFANRHFSA-N 373.456 3.571 0 40 FHAB CCCn1cc(-c2nc(-c3cccnc3)no2)c(=O)c2cc(F)ccc21 49001946 XQVVCJYVPFTNRO-UHFFFAOYSA-N 350.353 3.663 0 40 FHAB CCOc1ccc(NC(=O)CSc2cc(-c3nc(C)no3)ccn2)cc1 49405350 GJCWVECMYQZWAQ-UHFFFAOYSA-N 370.434 3.570 0 40 FHAB Cc1cc(C(F)(F)F)c2c(N)nn(C(=O)Cc3c[nH]c4ccccc34)c2n1 57731453 VKDAOYQNPOLRKS-UHFFFAOYSA-N 373.338 3.705 0 40 FHAB CC(C)C[C@H](NC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1cccs1 58210871 BPIZIKDDPNOLOA-INIZCTEOSA-N 370.474 3.919 0 40 FHAB CCN(CC(C)C)C(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 58370507 KHPUMVYQTAMJSG-KRWDZBQOSA-N 352.887 3.773 0 40 FHAB CCOC(=O)CSCC(=O)N(C)C(c1ccccc1)c1ccccc1 60758161 CNHSOBIESRCIIY-UHFFFAOYSA-N 357.475 3.531 0 40 FHAB O=C(CO)CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31 61992887 OHRHQPSAEIFRKM-JOCHJYFZSA-N 366.505 3.943 0 40 FHAB biogenic C[C@](O)(CNC(=O)c1cnc(-c2ccccc2F)s1)c1cccs1 72292571 FUICTFSQVFYTOV-KRWDZBQOSA-N 362.451 3.648 0 40 FHAB CCc1ccc(OCC(=O)N2CCC(Sc3ccccn3)CC2)cc1 72298001 AZGQMPWGUYXNJA-UHFFFAOYSA-N 356.491 3.806 0 40 FHAB CN(C)CC[C@H](OC(=O)C[C@@H]1OCCc2ccccc21)c1cccs1 72310681 CSCMAFRASXYRKC-ROUUACIJSA-N 359.491 3.988 0 40 FHAB COc1ccc(CNC(=O)NCC[C@@H](O)c2cccc3ccccc23)cc1 77119068 YJDNNSWPNJJIOO-OAQYLSRUSA-N 364.445 3.771 0 40 FHAB Cc1nc(C)c(C(=O)Nc2nnc(SCc3cccs3)s2)o1 79026255 DSTQCZLNMMLGPQ-UHFFFAOYSA-N 352.466 3.749 0 40 FHAB C[C@@H](Cc1ccc(O)cc1)N(C)c1cc(-c2ccccc2)nc2ncnn12 79099079 TVGLGXHTDCYQCE-HNNXBMFYSA-N 359.433 3.564 0 40 FHAB O=C([C@H]1CC(c2ccccc2)=NO1)N1CCCc2cccc(OC(F)F)c21 84525285 PMRQPHVGSSFVSI-QGZVFWFLSA-N 372.371 3.760 0 40 FHAB Fc1ccc(CN2CCO[C@@]3(CCCN(c4cccc(F)c4)C3)C2)cc1 96049079 QSMZYSCADJEFLM-NRFANRHFSA-N 358.432 3.836 0 40 FHAB CC(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3ccc(C)s3)C[C@@H]12 96100384 ITLKYKOGCOJECH-RTWAWAEBSA-N 354.519 3.821 0 40 FHAB CC[C@@](CNS(=O)(=O)Cc1ccccc1Cl)(OC)c1ccccc1 96123774 NBRNXDYWBMXDKH-SFHVURJKSA-N 367.898 3.711 0 40 FHAB O=C(NCc1ccc(F)cc1)NCC1(Sc2ccccc2)CCOCC1 96331358 PIYWVAWVTCDTOO-UHFFFAOYSA-N 374.481 3.966 0 40 FHAB Cc1noc(Cl)c1CCc1nc(-c2ccc(N3CCCCC3)nc2)no1 109566269 LNMWUAMZOFUQFY-UHFFFAOYSA-N 373.844 3.857 0 40 FHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1nc(-c2ccccc2)no1 219380297 VGUKDTUZKQBOAW-KRWDZBQOSA-N 365.433 3.827 0 40 FHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1Cc1ccco1 222729679 SDLGGBVEXLMYLE-MOPGFXCFSA-N 366.490 3.744 0 40 FHAB CCOC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224719792 MNWAWJGLDOYWAA-UHFFFAOYSA-N 367.854 3.650 0 40 FHAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225121679 BROKBECSBCNOAY-INIZCTEOSA-N 356.447 3.879 0 40 FHAB Cc1ccc(NC(=S)N2CCN(Cc3cccc(O)c3)CC2)c(C)c1 225219745 ZVVXQNWGXPVTTD-UHFFFAOYSA-N 355.507 3.524 0 40 FHAB O=C(NC[C@H]1CCCO1)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225265550 AMEIVIDCENNOCW-OAHLLOKOSA-N 355.825 3.792 0 40 FHAB Cc1cc(N2CCCC[C@@H]2C)nc(NC(=S)NCc2ccccc2)n1 225929026 YKOLRSOOWTYCMW-HNNXBMFYSA-N 355.511 3.650 0 40 FHAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](Cc4ccccc4)OCC[C@@]31C2 257217738 DAJQYVGXDIQZPE-HFEVTZJPSA-N 371.521 3.592 0 40 FHAB Cn1ccnc1C(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257258909 KWBBECXZZYGSPN-MRXNPFEDSA-N 370.840 3.630 0 40 FHAB Cc1cccnc1CN1CCC[C@H](c2ccnc(Nc3ncccn3)c2)C1 257265935 MAXUFVNIZUUSHA-SFHVURJKSA-N 360.465 3.698 0 40 FHAB Cc1nc2ccc(Cl)cn2c1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCCN2C 257266511 MDHQVJBFPQKGNG-JXFKEZNVSA-N 374.916 3.775 0 40 FHAB CC(C)N1CCC(c2cncc(N3CC4(CCCCC4)OC3=O)n2)CC1 257344052 ZVNZSVRLPXAXBO-UHFFFAOYSA-N 358.486 3.724 0 40 FHAB CCN(C(=O)c1cccc(C(=O)O)c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 564955417 WXVPCQOHHMKRSP-OXJNMPFZSA-N 366.461 3.682 0 40 FHAB COc1c(C)cc(S(=O)(=O)NCc2ccc(-c3ccco3)o2)cc1C 575611814 XQFZKJIIVZFKOO-UHFFFAOYSA-N 361.419 3.644 0 40 FHAB Cc1ncc(C(=O)N2CCC[C@@H](Cc3cccc4cccnc34)CC2)cn1 585178776 DWLDSNRSACVCMP-QGZVFWFLSA-N 360.461 3.818 0 40 FHAB C[C@H](c1ccccc1)N1C(=O)C[C@H]2[C@@H]1CCN2Cc1cccc(F)c1F 1565552046 NZSBVHYWLZANIB-CCKFTAQKSA-N 356.416 3.901 0 40 FHAB Cc1cc(N(C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)ncn1 1888870177 OIFGZGCZDNCZKE-UHFFFAOYSA-N 359.861 3.571 0 40 FHAB Cc1cccc(C(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)CC2)c1 2037912340 JXXSPGXAJBDCOU-NRFANRHFSA-N 357.425 3.570 0 40 FHAB Cc1nc(CN2CC[C@@H]3CN(Cc4scnc4C)C[C@@H]3CC2)cs1 2056223525 QEBMXYHVICJLRJ-IYBDPMFKSA-N 362.568 3.560 0 40 FHAB Cc1ccc(Cc2c(F)cccc2Cl)c(CC(=O)O[C@@H](C)C(=O)O)c1 2060993141 KTFRAIWYQKGJHY-LBPRGKRZSA-N 364.800 3.937 0 40 FHAB COc1cc(/C=C/C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccccc1 951244 NJODESFACMDBDO-RDELFYGPSA-N 367.445 3.583 0 40 FHAB CC(=O)Nc1ccc(N[C@H]2SC(=O)N(c3ccc(C)cc3)C2=O)cc1 1051252 QYBMTWNBNZWZNO-INIZCTEOSA-N 355.419 3.591 0 40 FHAB CCOC(=O)[C@H](c1ccccc1)[C@H](C(=O)OCC)c1ccc(OC)cc1 1628157 QTZVCDORJRLVES-RTBURBONSA-N 356.418 3.689 0 40 FHAB COC(=O)C1=C[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 1670561 FRSUFKJZLFSCBD-JGVFFNPUSA-N 356.847 3.931 0 40 FHAB O=C(Cn1c(=O)sc2ccccc21)Nc1ccc2c3c(cccc13)CC2 2502470 CYCKDMFTHLPQLR-UHFFFAOYSA-N 360.438 3.954 0 40 FHAB COc1ccc(N2C3=[N+](CCCC3)[C@H](C)[C@@]2(O)c2ccc(Cl)cc2)cc1 3092954 GAIBYRYSJVLECI-QVKFZJNVSA-N 371.888 3.997 0 40 FHAB COC(=O)c1sc2nc(C)nc(SCc3c(C)noc3C)c2c1C 3289226 JIZZSQSFJXSWQJ-UHFFFAOYSA-N 363.464 3.992 0 40 FHAB Cc1noc(C)c1C(=O)OCC(=O)Nc1ccccc1Oc1ccccc1 3363159 HYWKBVDVMSFWEO-UHFFFAOYSA-N 366.373 3.879 0 40 FHAB Cc1ccc(C(=O)OCC(=O)NCc2ccc(Cl)cc2Cl)s1 3384451 XVYDNPWWTQACCZ-UHFFFAOYSA-N 358.246 3.837 0 40 FHAB CCCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(SC)cc1 4598052 BYOWSDQJBWFIKC-INIZCTEOSA-N 358.467 3.632 0 40 FHAB O=C(C1CCN(C(=S)Nc2ccc(F)cc2)CC1)N1CCCCCC1 4721089 OYQBXJHGFNTYLD-UHFFFAOYSA-N 363.502 3.637 0 40 FHAB COc1ccc(S(=O)(=O)Oc2ccccc2NC(C)=O)c2ccccc12 4976936 SKNYQDMCVPTCBL-UHFFFAOYSA-N 371.414 3.575 0 40 FHAB Cc1ccccc1C(=O)N(c1cccc(Cl)c1)[C@H]1C=CS(=O)(=O)C1 5070639 HOVBXKHJEJVMQP-INIZCTEOSA-N 361.850 3.606 0 40 FHAB COc1ccc(OC)c(CC(=O)Nc2ccc(Br)cc2)c1 5240497 VXVMAQBRVUFBEV-UHFFFAOYSA-N 350.212 3.648 0 40 FHAB COc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1C 5555999 LEJGKVFGOOJWGD-UHFFFAOYSA-N 358.463 3.622 0 40 FHAB O=C(Nc1cccc(Cl)c1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 5604877 LDRQFRNYAWPFLF-MRXNPFEDSA-N 357.797 3.639 0 40 FHAB CC(=O)N1c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C(C)C 5617760 OSJDVEXBWRYMAF-LJQANCHMSA-N 358.463 3.539 0 40 FHAB CCCOc1c(Br)cc(C(=O)N2CCCCC2)cc1OC 6204564 KDXKLRIEAUZWBI-UHFFFAOYSA-N 356.260 3.873 0 40 FHAB Cn1c(CC(=O)Nc2ccccc2)nnc1SCc1ccc(Cl)cc1 6480023 IWLNQJGFGJIGTA-UHFFFAOYSA-N 372.881 3.942 0 40 FHAB O=S(=O)(Nc1cccc(F)c1)c1c(F)cc(F)cc1Br 6654680 WRLJFEFXJFJPPN-UHFFFAOYSA-N 366.158 3.667 0 40 FHAB COc1ccccc1CN(C)C(=O)CSc1ccc2ccccc2n1 6984510 FQCJACUJTRLZCO-UHFFFAOYSA-N 352.459 3.994 0 40 FHAB COc1ccc(NC(C)=O)cc1N[C@@H](C)C(=O)Nc1ccc(Cl)cc1 7057958 VRAPTUOXTDQPCG-NSHDSACASA-N 361.829 3.746 0 40 FHAB CCOc1ccc(/C=C/C(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 7255445 QPHREROVWVTTRE-UKYUDJEDSA-N 353.418 3.519 0 40 FHAB CC[C@H](CO)NCc1cc(Br)ccc1OCc1ccccc1 8327066 XMWMUOAWBIIXIC-QGZVFWFLSA-N 364.283 3.889 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(C2CC2)n1Cc1ccco1 8924690 UMBYXCDUWMIBQL-CJNGLKHVSA-N 374.510 3.584 0 40 FHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccncc1)CC2 9217544 QSYVPCGXWREMLB-QFIPXVFZSA-N 374.440 3.887 0 40 FHAB CC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccccc2Br)c1 9314582 PXKNCZJKOCIYFP-LLVKDONJSA-N 361.239 3.899 0 40 FHAB CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cc3ccccc3[nH]2)cc1 9514563 BSRQWSKLWNEZDF-GFCCVEGCSA-N 350.374 3.555 0 40 FHAB COc1cccc(-c2nc(-c3ccc4[nH]c(=O)oc4c3)cs2)c1OC 9690850 OBWUSGPPXBLUQN-UHFFFAOYSA-N 354.387 3.929 0 40 FHAB COc1cccc([C@H]2CCCN2CC(=O)N[C@H](C)c2ccc(F)cc2)c1 10227380 JWDGLKJAHHKIRI-FOIQADDNSA-N 356.441 3.849 0 40 FHAB Cc1ccccc1CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 11343832 UZPBXMZMOXESLH-SFHVURJKSA-N 373.250 3.725 0 40 FHAB Cn1cc([C@@H]2CCCCCN2C(=O)c2cc(-c3ccccc3F)no2)cn1 12119516 GPMVZONPXPCXPF-SFHVURJKSA-N 368.412 3.972 0 40 FHAB CC(C)c1cc(C(=O)NC[C@@H]2CCCO2)nn1-c1nc2ccccc2s1 12223590 FDHKGLIGLNLBQB-ZDUSSCGKSA-N 370.478 3.514 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)ccc21 12868876 CYHJGPTUTWVGNB-GFCCVEGCSA-N 358.825 3.655 0 40 FHAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)N(C)c2ccccc2)c1 12916188 ZFBUEIDHKNNTHM-LJQANCHMSA-N 354.450 3.504 0 40 FHAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C(=O)NC2CC2)cc1 12937315 CUESPDPKHJWEKT-UHFFFAOYSA-N 358.825 3.558 0 40 FHAB CC(C)c1ccc([C@H](C)NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1 13012036 SNDJEMLWRJMTIQ-ZDUSSCGKSA-N 350.418 3.527 0 40 FHAB O=C(CSCc1c(F)cccc1Cl)NCCCN1CCCCC1 13669496 KMVSCEVAISJCOG-UHFFFAOYSA-N 358.910 3.705 0 40 FHAB CC(C)Oc1cccc(CNS(=O)(=O)Cc2ccccc2Cl)c1 13670751 UICZPPODJCPDTE-UHFFFAOYSA-N 353.871 3.747 0 40 FHAB CCc1nnc(NC(=O)c2cccc(OCc3csc(C)n3)c2)s1 14016809 VSSBFWBZTWDQLS-UHFFFAOYSA-N 360.464 3.697 0 40 FHAB C[C@H](NC(=O)CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1)c1ccco1 14171968 UXOWJUMKYQWAMD-LZGFCCKTSA-N 372.425 3.677 0 40 FHAB Cc1cc(Br)ccc1NC(=O)CN1CCn2cccc2[C@@H]1C 14182461 OQYGUVAZBVFIFD-ZDUSSCGKSA-N 362.271 3.574 0 40 FHAB Cc1c(C(=O)Nc2ccccc2Cl)sc2nc3n(c(=O)c12)CCC3 14202422 GTLVPBDMGAPNHP-UHFFFAOYSA-N 359.838 3.618 0 40 FHAB C[C@H](Nc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccccc1Cl 15172019 PTQPKNCMPZRVKI-ZDUSSCGKSA-N 365.886 3.693 0 40 FHAB O=C(NCc1ccccc1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 16025392 RNCNSDCOWICWLD-LIPMQLJGSA-N 366.505 3.510 0 40 FHAB Cc1cccc2c(=O)n(CCC(=O)N[C@@H](c3ccccc3)C(C)C)cnc12 16470705 LUIVZZPKBZAWCA-HXUWFJFHSA-N 363.461 3.609 0 40 FHAB Cc1cc2nc([C@@H]3CCCN(CC[C@H](C)c4ccc(C)o4)C3)cc(N)n2n1 19216282 YBOGQKCZIQEJOG-WMLDXEAASA-N 367.497 3.895 0 40 FHAB Cc1cccc(CN2CCC[C@H](n3c(=O)oc4ccc(Cl)cc43)C2)n1 19236236 JPVBSFKFQCBBCH-INIZCTEOSA-N 357.841 3.788 0 40 FHAB O=C(NCc1nnc(-c2cccs2)o1)c1cccc(C(F)(F)F)c1 19293303 UCSBTMLRZABLRD-UHFFFAOYSA-N 353.325 3.747 0 40 FHAB Cc1ncsc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1 19562256 YFNOFLXGRAKDFY-HNNXBMFYSA-N 356.426 3.584 0 40 FHAB COc1ccc(O[C@H](C)CNC(=O)c2cccc3c(C)c(C)[nH]c23)cc1 19576950 GBKYHLFCIZFQMK-CYBMUJFWSA-N 352.434 3.991 0 40 FHAB CCOc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccc(OC)cc1 20029956 QIOGNGHPGWNXDJ-GFCCVEGCSA-N 369.870 3.787 0 40 FHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 20460264 KOXNZHOWHBGVCW-MDZRGWNJSA-N 366.933 3.982 0 40 FHAB Cc1cc(C)c(C(=O)COC(=O)c2cncn2-c2ccc(F)cc2)cc1C 21509417 QBZZEIJITHYVND-UHFFFAOYSA-N 366.392 3.976 0 40 FHAB COc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 22857476 WRWZWJCRBONFAH-UHFFFAOYSA-N 368.485 3.604 0 40 FHAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N[C@H]3CCCc4ccccc43)c12 22976182 SLASSNGMZCKYMD-SFHVURJKSA-N 360.461 3.962 0 40 FHAB Cc1ccc(N2N=N[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]32)cc1F 23125655 RWZNEVVUQCHAAZ-HZPDHXFCSA-N 372.787 3.594 0 40 FHAB CCN(C(C)=O)c1nc(COC(=O)Cc2coc3cc(C)ccc23)cs1 23569117 UZTPBSDYHAWNMW-UHFFFAOYSA-N 372.446 3.856 0 40 FHAB CCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Cc1cccs1 23804882 PRACMPLKXWEBSS-UHFFFAOYSA-N 359.520 3.947 0 40 FHAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2ccccc2Cn2ccnc2)o1 29207129 FLLDICOBGRAXQN-CTLVEUTNSA-N 361.445 3.977 0 40 FHAB COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(OC)cc2)ccc1Cl 31056131 OZIARGRMHSZESI-NSHDSACASA-N 363.797 3.541 0 40 FHAB CN1N=C(C(=O)Nc2ccccc2Oc2ccccc2Cl)CCC1=O 32837317 HJUQKBCIIFXYSK-UHFFFAOYSA-N 357.797 3.679 0 40 FHAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(O)c(OC)c2)cc1 36359990 BULUNWCISOPSHV-HNNXBMFYSA-N 365.389 3.719 0 40 FHAB CCN(CC)Cc1ccc(Cn2c(S)nc3ccccc3c2=O)cc1 36390419 WMCNGRLRTNZQFN-UHFFFAOYSA-N 353.491 3.575 0 40 FHAB CCN(C(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1nc2ccccc2s1 36760451 AXUOGGKJONVISK-INIZCTEOSA-N 369.421 3.982 0 40 FHAB Cc1ccc(-c2nc(CN(C[C@@H]3CCCO3)C[C@H]3CCCO3)cs2)o1 40120175 SBTRQLUDTQBTOD-CALCHBBNSA-N 362.495 3.872 0 40 FHAB O=C(C[C@H]1CCC[C@@H](C(=O)O)C1)c1ccc(I)cc1 43879480 BRTJQTYCGVEPNG-CMPLNLGQSA-N 372.202 3.755 0 40 FHAB COc1ccc(Cl)cc1NC(=O)c1ccc(OCc2nccn2C)cc1 47516447 ZHIGLCISLCLAEG-UHFFFAOYSA-N 371.824 3.913 0 40 FHAB O=C(COc1ccc(F)cc1)Nc1cccc2ccc(-n3ccnc3)nc12 49028045 AEJXIGXGKRRHPD-UHFFFAOYSA-N 362.364 3.577 0 40 FHAB Cc1ccc(-n2nnc(C(=O)NCc3ccccc3Cl)c2C)cc1F 51317720 ULPFVAZRSGATAV-UHFFFAOYSA-N 358.804 3.607 0 40 FHAB C[C@H]1C[C@@H](Sc2ncc(-c3ccccc3)n2CC(F)(F)F)C(=O)O1 51971330 UTWNXJPOOVWQMS-GXFFZTMASA-N 356.369 3.909 0 40 FHAB O=C(Cc1csc(-c2ccco2)n1)Nc1ccc(-n2ccnc2)c(F)c1 54224157 JULOYDPWZYGKRH-UHFFFAOYSA-N 368.393 3.909 0 40 FHAB Cc1nn(C)c2sc(C(=O)N[C@@H](c3ccc(F)cc3)[C@H]3CCCO3)cc12 55945712 PZIAJEFAXKZBKK-WBVHZDCISA-N 373.453 3.732 0 40 FHAB Cc1nc(C)c([C@H](C)NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)s1 56023310 ZPSVDLQRYILCNR-NSHDSACASA-N 369.494 3.718 0 40 FHAB CCC(=O)Nc1nc2ccc(NC(=O)C(Cl)(Cl)Cl)cc2s1 57313718 ATCPRLKWWGFGKT-UHFFFAOYSA-N 366.657 3.954 0 40 FHAB Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NCc1nc(C2CC2)no1 58192847 SULLSOLKKFQNEC-AWEZNQCLSA-N 354.454 3.882 0 40 FHAB Cc1ccccc1[C@H]1CCCN1C(=O)C[C@@H](NC(N)=O)c1cccs1 58264391 QJJVSOGOIBTZMS-HZPDHXFCSA-N 357.479 3.520 0 40 FHAB O=C(Cc1ccc(C(F)(F)F)cc1)Nc1nc2c(s1)C(=O)CCC2 60362051 AEBVBPRFSLFGSN-UHFFFAOYSA-N 354.353 3.862 0 40 FHAB Cc1ccc(NC(=O)CNC(=O)c2cc3c(s2)CCCC3)c(Cl)c1 63601424 PJGOBXBJLMVSAS-UHFFFAOYSA-N 362.882 3.957 0 40 FHAB Cn1cc([C@H]2C[C@@H]2C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)cn1 68439907 AHLIJXHBIFCHRV-MSOLQXFVSA-N 357.885 3.805 0 40 FHAB C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 69619797 IDLFVOWECITYNA-APWZRJJASA-N 355.457 3.652 0 40 FHAB O=C(CCCn1cccn1)Nc1ccc(N2CCc3sccc3C2)cc1 71849968 INKHVROTJUCQET-UHFFFAOYSA-N 366.490 3.926 0 40 FHAB Cc1nn(-c2ccc(NC(=O)[C@H]3CCOC(C)(C)C3)cn2)c(C)c1Cl 72403577 OENSOQLZMCLVGD-ZDUSSCGKSA-N 362.861 3.681 0 40 FHAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2nc(C3CC3)cs2)CC1=O 74526060 GLXHBJSBDWDJHU-SWLSCSKDSA-N 355.463 3.569 0 40 FHAB COc1ccc2c(c1)C[C@H](C(=O)N1CCCCC[C@@H]1c1ccncc1)CO2 78933451 YFBLCAZVSPATKP-AZUAARDMSA-N 366.461 3.785 0 40 FHAB COc1cccc(-n2ccnc2SC[C@H](O)c2cc(F)ccc2F)c1 89471413 ACVNFMDPSDRROO-KRWDZBQOSA-N 362.401 3.985 0 40 FHAB Cc1ccc(F)c(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c1 89618858 FWABKKOEYDWQFS-UHFFFAOYSA-N 356.378 3.654 0 40 FHAB COc1ccc(CCN[C@H]2CCN([C@H](C)c3ccccc3)C2)cc1OC 95407042 SAWRYBBRTMXXEP-XLIONFOSSA-N 354.494 3.671 0 40 FHAB CCCNc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 95418976 JAXLCYPFWNEMPQ-CQSZACIVSA-N 363.889 3.749 0 40 FHAB COc1cc(CNc2cc(CSCCO)ccn2)cc(Cl)c1OC 95448822 CAWAJXDYRNTWQY-UHFFFAOYSA-N 368.886 3.590 0 40 FHAB CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)Nc2ccc(C(C)C)cc2)C1 95998963 SNRBTRLZQJSAQE-MRXNPFEDSA-N 369.469 3.903 0 40 FHAB Cc1ccc(C(=O)N2CC[C@@]3(C[C@@H]3C(=O)Nc3cccc(F)c3)C2)cc1C 96075041 MVMYHJIEBMGAPP-DENIHFKCSA-N 366.436 3.933 0 40 FHAB COCCN1CCC2(CC1)C[C@H](NCc1csc(C)n1)c1ccccc12 96079000 POSNRBHBWGCZAU-FQEVSTJZSA-N 371.550 3.666 0 40 FHAB O=C(c1ccsc1)N1CCN(c2nc(-c3ccsc3)cs2)CC1 96099864 FITCXRISPPORDW-UHFFFAOYSA-N 361.517 3.896 0 40 FHAB COC(=O)c1ccc(CN2CCC[C@H]2CC(=O)c2ccc(F)cc2)cc1 97229479 HRWRZPMAZAUVQA-IBGZPJMESA-N 355.409 3.850 0 40 FHAB C[C@@]12CC3CC(C(=O)N4CCN(C(=O)c5ccco5)CC4)(C1)C[C@@](C)(C3)C2 100798565 GYKXKAJDEIRFEP-JWLURFLHSA-N 370.493 3.561 0 40 FHAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 102617616 NGHMQIBAQOOTIP-JLUCKKNBSA-N 374.849 3.925 0 40 FHAB Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 104739806 YIWMSWDMMHRENB-PCODUJHASA-N 368.525 3.767 0 40 FHAB CC[C@H](C(=O)NCc1nn(C2CCCC2)c2c1COCC2)c1ccccc1 206752861 PSCHYOMYMPBTRD-SFHVURJKSA-N 367.493 3.881 0 40 FHAB CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 216384526 ORYQZLANRGZCHP-IBGZPJMESA-N 374.506 3.965 0 40 FHAB CCc1ccc(OCC(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 218957841 MXMCPIPRYKHRSV-UHFFFAOYSA-N 371.824 3.648 0 40 FHAB O=C(c1cccc(-n2cccn2)c1)N1CCS[C@H](c2ccco2)CC1 219412899 WKAHVMCTFZKZGK-SFHVURJKSA-N 353.447 3.786 0 40 FHAB COc1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(OC)c1C 222564865 PDQQSLDHZUSJBX-IGNZVWTISA-N 369.490 3.997 0 40 FHAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(SC)s1 224300705 WYPRPESMWZHTIT-AWEZNQCLSA-N 363.508 3.935 0 40 FHAB CCOc1ccc(C(=O)N[C@@H](C)COC)cc1COc1ccccc1C 224379603 LLXZMGFWVIMVIB-INIZCTEOSA-N 357.450 3.737 0 40 FHAB Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)NCc2ccccn2)n1 225204473 KVABUHBPPGAJOA-UHFFFAOYSA-N 368.441 3.549 0 40 FHAB Cc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3CN(CCCC(=O)O)CC[C@H]3O[C@@H]21 257221387 DOVIBPCKLSOPFT-VZRKHXGSSA-N 373.493 3.799 0 40 FHAB CCOc1ccc(C)cc1-c1ccc(C(=O)NCCO)c(CC(C)C)c1 257248104 JCCWUTSGUOVTED-UHFFFAOYSA-N 355.478 3.981 0 40 FHAB Cc1ccc(C(=O)N2CCC[C@@H](c3ccnc(Nc4ccccn4)c3)C2)cn1 257265079 LXFZIHSIKFQYHU-LJQANCHMSA-N 373.460 3.943 0 40 FHAB CCOc1nc(C)ccc1C(=O)N(C)[C@@H]1CCCc2nc(CC)sc21 331814418 OTJVOQOHMHITNS-OAHLLOKOSA-N 359.495 3.957 0 40 FHAB COc1c(Cl)cc(/C=C2\SC(=O)N(C)C2=O)cc1Br 408812994 COVRLKRZNRKNBX-UITAMQMPSA-N 362.632 3.777 0 40 FHAB CCN1C(=O)N/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C1=O 409233762 WVSTWCLTZLYFGN-LFIBNONCSA-N 356.809 3.832 0 40 FHAB C[C@H]1CN(c2ccc(Nc3ncncc3-c3ccccc3)cn2)C[C@@H](C)O1 530481194 QARUICZAHQDKSL-IYBDPMFKSA-N 361.449 3.896 0 40 FHAB COc1ccccc1CN1CC2(C[C@@H](OCc3cccc(C)n3)CS2)C1 585105169 PKAYGGIHMNIWEM-LJQANCHMSA-N 370.518 3.675 0 40 FHAB Cc1ccc(Cl)c2sc(N3CCN(C(=O)c4cccnc4)CC3)nc12 585204575 ZBEAYQNPZCDRPD-UHFFFAOYSA-N 372.881 3.616 0 40 FHAB O=C(c1ncc2n1CCCC2)N1CCC[C@H](c2nc3ccccc3s2)C1 630488486 MDCSJCWZOCWKHR-AWEZNQCLSA-N 366.490 3.849 0 40 FHAB CC(C)[C@H]1N(C(=O)Nc2cc(-c3ccsc3)nn2C)CC12CCOCC2 669386005 NPEGJGGQSUOPSF-QGZVFWFLSA-N 374.510 3.818 0 40 FHAB O=C(CSC1CCCC1)NC[C@H](O)c1cc(-c2ccco2)cs1 1775968163 LFJVAMYIJKPCKW-AWEZNQCLSA-N 351.493 3.834 0 40 FHAB COC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 1089804 MFSMMHYQSNEGOZ-LLVKDONJSA-N 374.849 3.693 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(c2ncccn2)C1 1357780 RHDXDRSGVKVYSL-NSHDSACASA-N 351.237 3.639 0 40 FHAB CC(C)Oc1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1 1917446 YUKHVVUYZLSLJR-UHFFFAOYSA-N 370.836 3.905 0 40 FHAB COc1cc(SC)ccc1C(=O)OCC(=O)N1CCCc2ccccc21 3241243 FMHBYJKRMZEZNF-UHFFFAOYSA-N 371.458 3.553 0 40 FHAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1Cc1nc2ccccc2s1 3313394 BYKIRIIRHMWLJF-FQEVSTJZSA-N 363.442 3.580 0 40 FHAB C[C@@H](Sc1nncn1C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 3359393 DZRPTZBENXGSTL-SSDOTTSWSA-N 364.780 3.607 0 40 FHAB COc1ccc(C2=Nn3c(nnc3-c3ccccc3Cl)SC2)cc1 3911162 RLDGLFZJWXHRPQ-UHFFFAOYSA-N 356.838 3.965 0 40 FHAB O=C(/C=C/c1ccccc1)NC(=S)N1CCCC[C@@H]1c1cccnc1 3999734 NGYHJKKFJJMCRB-IENJSVCTSA-N 351.475 3.723 0 40 FHAB biogenic Clc1ccc(Cn2nnc3c(SCc4cccnc4)ncnc32)cc1 4062806 GPPRVDWSVJEWKX-UHFFFAOYSA-N 368.853 3.610 0 40 FHAB Cc1ccc([C@@]2(CC(=O)NCCCN(C)C)CCO[C@H](C(C)C)C2)cc1 4084545 VPRGUMSCKKEJOK-UNMCSNQZSA-N 360.542 3.526 0 40 FHAB biogenic COc1cc(NC[C@@](C)(O)CN2CCC[C@H](C)[C@H]2C)c2ncccc2c1 4522441 RDWVATZAASWVFR-GCKMJXCFSA-N 357.498 3.527 0 40 FHAB Cc1ccc2cc(S(=O)(=O)NC3CC(C)(C)NC(C)(C)C3)ccc2c1 4593569 FNQQLSRCMACRFJ-UHFFFAOYSA-N 360.523 3.736 0 40 FHAB CCCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(C)cc1)N2 5200877 UAOJUPQNGSNELW-UKRRQHHQSA-N 366.387 3.992 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)COc1ccc(Br)cc1 5510942 QKYIWSDBOZZONF-GFCCVEGCSA-N 364.239 3.714 0 40 FHAB COc1ccc(O)c(C(=O)c2cnc3c(c2)c(C)nn3-c2ccccc2)c1 5936110 FLFIYZQANIMGHJ-UHFFFAOYSA-N 359.385 3.674 0 40 FHAB COc1cc(OC)c(NC(=O)CSc2nc(C)cs2)cc1Cl 6223634 MKYRDOPAKZKULN-UHFFFAOYSA-N 358.872 3.853 0 40 FHAB CCC(=O)NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 6417480 MWPVAZGIZOHYAK-UHFFFAOYSA-N 367.430 3.908 0 40 FHAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cc1ccccc1C(F)(F)F 6625723 SCHFGGHKVZIPFQ-GOSISDBHSA-N 360.335 3.599 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1noc2c1CCCC2 6818587 FUALRGIAWQWLSQ-UHFFFAOYSA-N 350.422 3.667 0 40 FHAB COC(=O)c1cn(CC(=O)Nc2ccc(F)c(Cl)c2)c2ccccc12 6832014 OLQMXQYQEAOMIN-UHFFFAOYSA-N 360.772 3.859 0 40 FHAB Cc1ccc(NC(=O)CSc2ccc(-c3ccccn3)nn2)cc1F 6859363 ZGMMFTMAMNSFED-UHFFFAOYSA-N 354.410 3.717 0 40 FHAB CCc1cccc(C)c1NC(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1 8247734 MKKMYWOSNOZPMH-INIZCTEOSA-N 352.434 3.558 0 40 FHAB COC(=O)CCCCCNc1nc(-c2cc(OC)ccc2OC)cs1 8298227 JJCARNVZRXWASQ-UHFFFAOYSA-N 364.467 3.973 0 40 FHAB COc1ccc(-c2c(C)s/c(=N\C(=O)c3ccccc3F)n2C)cc1 8332482 PKDLDGQXXDCYBL-VZCXRCSSSA-N 356.422 3.951 0 40 FHAB CN(Cc1ccco1)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 8734969 SICZGWYSLUCSDZ-UHFFFAOYSA-N 353.397 3.755 0 40 FHAB COc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2)c1 8738573 IJDTZJSFJOLNFH-KRWDZBQOSA-N 351.381 3.803 0 40 FHAB COc1cccc(C(=O)O[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)c1 8752451 XISCMTDEOMQJRZ-SFHVURJKSA-N 366.373 3.528 0 40 FHAB CCCCNc1nc(Nc2ccc(OC)c(Cl)c2)c2cnn(C)c2n1 9212233 HMZPZMXITWBIBX-UHFFFAOYSA-N 360.849 3.981 0 40 FHAB O=C(CCCc1cccs1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9218071 KGIGYQMHYGIULY-UHFFFAOYSA-N 369.490 3.578 0 40 FHAB CC[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)NCc1ccccc1 9746429 YXFVEOLYIQJBEN-MRXNPFEDSA-N 370.453 3.798 0 40 FHAB CNC(=O)C1CCN(C(=O)N[C@H](c2ccc(CC(C)C)cc2)C(C)C)CC1 9796336 UHUFFPASKAQEJU-FQEVSTJZSA-N 373.541 3.750 0 40 FHAB CCCc1n[nH]c(SCC(=O)c2cc(C)n(-c3nccs3)c2C)n1 11808051 ZMWNQOMKYAZRSD-UHFFFAOYSA-N 361.496 3.596 0 40 FHAB COc1cccc(F)c1-c1nc(C)c(C(=O)NCc2ccccn2)s1 12324834 NGTSGFJQAKQWEH-UHFFFAOYSA-N 357.410 3.591 0 40 FHAB COc1ccc(C)cc1CN1CCC(NC(C)=O)(c2ccc(F)cc2)CC1 12330683 MVSMEECDJSTLFM-UHFFFAOYSA-N 370.468 3.770 0 40 FHAB Cc1ccccc1C(=O)NCCC(=O)Nc1ccc(C(F)(F)F)cc1 12768831 UOCXEYMPCUZKRK-UHFFFAOYSA-N 350.340 3.772 0 40 FHAB CC(=O)c1ccccc1OCCOC(=O)c1cc(-c2ccccc2)[nH]n1 12787890 VRGOUUQTOISQPL-UHFFFAOYSA-N 350.374 3.515 0 40 FHAB CN(CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1)Cc1ccco1 12795864 CQIZQSBURHCAIQ-UHFFFAOYSA-N 366.446 3.955 0 40 FHAB C[C@@H](NC(=O)NCc1ccc(N2CCCC2=O)cc1)c1ccc(F)c(F)c1 12801704 SAMMZOVKDALEEW-CYBMUJFWSA-N 373.403 3.652 0 40 FHAB O=S(=O)(c1cccc(F)c1)N1CCC[C@H]1c1nc2ccccc2s1 12983711 QQNIZLJGBWPDPN-HNNXBMFYSA-N 362.451 3.961 0 40 FHAB COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)n3nc(N)nc3N2)cc1 13131876 ASCOXOGVTZWDAW-JKSUJKDBSA-N 355.829 3.669 0 40 FHAB C[C@@H](NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)c1ccc(Cl)cc1 14108619 DJXDDSNYKIELAO-SNVBAGLBSA-N 372.273 3.888 0 40 FHAB CC[S@@](=O)c1ccccc1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 14197252 ZJHGGSTWSHLODD-DEZVMLJDSA-N 374.502 3.756 0 40 FHAB O=C(Nc1c(F)cccc1F)c1cccc(I)c1 15011214 IRDCWQUKRFYQHU-UHFFFAOYSA-N 359.113 3.822 0 40 FHAB O=C1CCCN1c1ccc(CNCc2cc(Cl)c3c(c2)OCCO3)cc1 15581123 DTQJABLDSLEWCT-UHFFFAOYSA-N 372.852 3.528 0 40 FHAB CCCc1nnc(-c2cc3ccccc3n2CC(=O)NC2CCCC2)o1 15881460 FVRPQZMAGLKPDI-UHFFFAOYSA-N 352.438 3.703 0 40 FHAB COc1cccc([C@H]2CN(C(=O)C(C)(C)C)[C@@H]3CCN(CC4CC4)C[C@H]23)c1 19081605 IAEVPPVYYSQBDL-NJDAHSKKSA-N 370.537 3.768 0 40 FHAB CCCC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2)(C(=O)NC)C1 19501057 QYVMUSCGSGQSIJ-HSZRJFAPSA-N 364.489 3.661 0 40 FHAB Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nc(C)n4ccsc34)C2)s1 19560022 WILMQEZGFIOKSO-CYBMUJFWSA-N 360.508 3.797 0 40 FHAB CCc1cc(=O)oc2c3c(ccc12)OCN(CCc1ccc(F)cc1)C3 20403872 ATNAKJRCWZSZTI-UHFFFAOYSA-N 353.393 3.889 0 40 FHAB CCc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)CC)cc1 20448999 KQUHZDWESAIFTN-CQSZACIVSA-N 372.490 3.602 0 40 FHAB COc1cc(OC)cc(OCC(=O)N[C@H](CC(C)C)c2ccccc2)c1 20489385 YEHGAOBNYRWHAY-HXUWFJFHSA-N 357.450 3.986 0 40 FHAB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3cc(Cl)c[nH]3)n2)C1 22295571 NYPQMMHWPUOVOQ-QWRGUYRKSA-N 352.891 3.855 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(N4CCCC4)nc3)cc2)n1 22389039 RNTVQZBVXYWNQA-UHFFFAOYSA-N 361.449 3.737 0 40 FHAB O=C(CCn1ccc2ccccc21)NC[C@H](c1ccccc1)N1CCCC1 23741792 SRMFYDKMFOYLIV-JOCHJYFZSA-N 361.489 3.985 0 40 FHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc(F)c(F)cc1Cl 24743457 LEQPCTQYDRWHQM-UHFFFAOYSA-N 366.795 3.946 0 40 FHAB C[C@@H]1CN(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)CCO1 25059046 FAIJJQXELNBPPC-OAHLLOKOSA-N 355.869 3.959 0 40 FHAB FC(F)(F)CN1CCN(Cc2c(-c3ccccc3)nc3ccccn23)CC1 25682539 ILPZQHFLFZYWRO-UHFFFAOYSA-N 374.410 3.681 0 40 FHAB COc1ccc(CCNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 27460273 XJNXYLARFNUDCH-UHFFFAOYSA-N 368.408 3.781 0 40 FHAB Cc1ccn(-c2ccc(NC(=O)[C@H]3CCCN3Cc3ccccc3)cc2)n1 28240552 ZDKLDGRSMGXKSU-OAQYLSRUSA-N 360.461 3.784 0 40 FHAB Cc1noc(C)c1Cc1ccc(C(=O)Nc2nc3ccccc3n2C)o1 28241594 NFDZYWNSMGLWRN-UHFFFAOYSA-N 350.378 3.614 0 40 FHAB O=C(c1ccccc1NS(=O)(=O)c1cccs1)N1CCCCCC1 28262965 HAZQPYBSKCCLAA-UHFFFAOYSA-N 364.492 3.565 0 40 FHAB Cc1nccn1Cc1cccc(CNC(=O)c2ccc(Cl)cc2F)c1 30657821 GENFFPYFEDXWKG-UHFFFAOYSA-N 357.816 3.962 0 40 FHAB O=C(NCc1ccc(F)cc1)N1CCN(Cc2ccc(Cl)s2)CC1 30988672 WJLNMWYTNUHTSK-UHFFFAOYSA-N 367.877 3.568 0 40 FHAB CCc1sc(-c2nnc(Cn3cc(C(F)(F)F)ccc3=O)o2)cc1C 31625364 ILAJKCMYTYIWHA-UHFFFAOYSA-N 369.368 3.898 0 40 FHAB CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2)c2cc(C)ccc21 32103662 BBFIIXCQDQCBDP-QFIPXVFZSA-N 372.428 3.825 0 40 FHAB CCN1C[C@H](CN(C)Cc2nc3ccccc3nc2C)Oc2ccccc21 32797329 DFHRFSRQAWDJDZ-KRWDZBQOSA-N 362.477 3.658 0 40 FHAB CC(=O)c1ccccc1NS(=O)(=O)c1ccccc1OC(F)(F)F 32895420 WAPFDJKGKSNRBJ-UHFFFAOYSA-N 359.325 3.589 0 40 FHAB CNC(=O)c1cccc(NC(=O)c2ccc(CN3CCCCC3)cc2)c1C 32915180 LGWXFTJMFPJXBH-UHFFFAOYSA-N 365.477 3.593 0 40 FHAB O=C(CN1CCc2ccccc2C1)NCCc1ccc(Cl)cc1Cl 34800023 HYJGILUVUCGTQU-UHFFFAOYSA-N 363.288 3.710 0 40 FHAB CC(C)Oc1ccc(C(=O)N2CCC(c3nnc(C4CC4)o3)CC2)cc1 38518677 GAUBIKVRTRLAKH-UHFFFAOYSA-N 355.438 3.754 0 40 FHAB Cc1ccc(C(=O)CCC(=O)N2CCN(C)C[C@@H]2c2ccccc2)s1 40013011 HLNLHIDCBZMQJA-QGZVFWFLSA-N 356.491 3.535 0 40 FHAB CC(C)(C)c1cn2nc(NC[C@@H](c3ccco3)N3CCCC3)sc2n1 40153402 HGAATIWKYAIEOT-ZDUSSCGKSA-N 359.499 3.930 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)C(=O)Nc1cccc2c(O)cccc12 40285184 SPSCRWHCPDMJDN-HNNXBMFYSA-N 362.429 3.621 0 40 FHAB Cc1ccc(-c2cc(C(=O)OC[C@H]3CCCO3)c3c(C)noc3n2)s1 43896615 KZHXVCCCQAGVMJ-GFCCVEGCSA-N 358.419 3.904 0 40 FHAB CCc1cccc(CC)c1NC(=O)c1cccc(CN2CCOCC2)c1 44880070 OQVPOORRLGUJGW-UHFFFAOYSA-N 352.478 3.896 0 40 FHAB O=C(NC1CCN(C(=O)C2CCCCC2)CC1)[C@@H]1CCCc2ccccc21 46862929 LYBUZMZYAHJDAV-OAQYLSRUSA-N 368.521 3.794 0 40 FHAB COc1ncccc1NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 48414505 MFHZYMRZPMHDEA-MRXNPFEDSA-N 369.421 3.621 0 40 FHAB COc1ccc(-c2nnc([C@H]3CCN(Cc4ccc(F)cc4)C3)o2)cc1 49170107 PZAYSPDHWATIHV-INIZCTEOSA-N 353.397 3.874 0 40 FHAB biogenic,in-vitro Cn1nc(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)c2ccccc21 51315246 BDUILKGQVFLJJH-UHFFFAOYSA-N 368.780 3.634 0 40 FHAB Cc1cccc(C2(C(=O)N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)CC2)c1 53029997 ZHHQWLXYTTVZQY-SFHVURJKSA-N 368.521 3.524 0 40 FHAB COc1cccc(-c2cc(C(=O)NCc3ccc(F)cc3Cl)n[nH]2)c1 57413802 MGYTVJYXEYOVFG-UHFFFAOYSA-N 359.788 3.808 0 40 FHAB C[C@@H](OCC(F)(F)F)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F 58196108 WYMCQEAGTINWCE-MRVPVSSYSA-N 358.282 3.677 0 40 FHAB COc1ccc(N(C(=O)c2ccc(-n3cccn3)nc2)[C@@H](C)C2CC2)cc1 58225339 VHJIJBYXHJISBS-HNNXBMFYSA-N 362.433 3.721 0 40 FHAB O=C(Nc1cc(F)cc(N2CCOCC2)c1)c1ccccc1OC(F)F 65514800 PIQFOUXRSHNAGX-UHFFFAOYSA-N 366.339 3.516 0 40 FHAB COc1ccc(C(=O)c2ccc(N)cc2)cc1-c1ccc2c(c1)OCCO2 66088929 HVWUANQRGBSSJI-UHFFFAOYSA-N 361.397 3.947 0 40 FHAB O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H](c1ccccc1)n1cccc1 70636902 RBNQQDVAWRLDIB-HSZRJFAPSA-N 373.500 3.858 0 40 FHAB CC(=O)c1cn(CCC(=O)Nc2nc3c(s2)CCC3)c2ccccc12 71287764 GZQJNSZYOBPJHW-UHFFFAOYSA-N 353.447 3.818 0 40 FHAB CCc1[nH]c2c(CNC(=O)CCc3csc(N)n3)cc(C)cc2c1C 71759806 XWLKFBDXGBAKTR-UHFFFAOYSA-N 356.495 3.635 0 40 FHAB CC(C)c1ccc(SCC(=O)NCC2CCC3(CC2)OCCO3)cc1 72310394 HRFFWSUSEHUUSL-UHFFFAOYSA-N 363.523 3.952 0 40 FHAB O=C1[C@H](C2CCN(c3cccnc3)CC2)CC=CCN1Cc1ccccc1 72380029 VXJQWZFIAOJQDE-QFIPXVFZSA-N 361.489 3.903 0 40 FHAB CN1CCC(C(=O)Nc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)CC1 76060844 KRVWMRNHGNCCOL-UHFFFAOYSA-N 352.413 3.649 0 40 FHAB Cn1ncc2c1N=C(O)CS[C@@H]2c1cccc(OCc2ccccn2)c1 79478976 YZPUEJDEMMYEAA-GOSISDBHSA-N 366.446 3.818 0 40 FHAB CCOc1ccc(-c2nc(COc3ccc(F)cc3F)n[nH]2)cc1OC 85384490 RYZHBWPGBNFFRU-UHFFFAOYSA-N 361.348 3.736 0 40 FHAB COc1ccc([C@@H](CNc2ccc(Br)c(C)n2)N(C)C)cc1 95460587 QDIGNZSXZPRGLX-MRXNPFEDSA-N 364.287 3.876 0 40 FHAB Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1C(=O)CC1CCCC1 96002580 VONBLXZJIHJPFD-HNNXBMFYSA-N 373.419 3.542 0 40 FHAB C[C@@H](C(=O)N(C)c1ccccc1)N1CCN(Cc2ccc(Cl)cc2)CC1 96035916 UMDNTJHRNLGTTM-KRWDZBQOSA-N 371.912 3.509 0 40 FHAB COC(=O)c1ccc(CN2CCC[C@@H]2CC(=O)c2ccc(F)cc2)cc1 97229478 HRWRZPMAZAUVQA-LJQANCHMSA-N 355.409 3.850 0 40 FHAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1cnn(Cc2cccc3ccccc23)c1 101589558 FNXRBVMSIWJZAW-BGYRXZFFSA-N 359.429 3.764 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(OC(C)C)cc3)CC2=O)cc1 103717134 OSGMRXHUQMJMEM-MRXNPFEDSA-N 352.434 3.774 0 40 FHAB O=C(Cc1cccc(Cl)c1)NC[C@@H](O)c1cccc(C(F)(F)F)c1 107770293 HFBJNNIVZJDPMY-OAHLLOKOSA-N 357.759 3.751 0 40 FHAB Nc1cccc(S[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1 113561223 NWZIAPBWJARAHQ-CYBMUJFWSA-N 367.257 4.000 0 40 FHAB Cc1ccc([C@@H]2OCCC[C@H]2CNS(=O)(=O)c2cccs2)cc1 174078986 KPRQHFIGDADGEK-RDJZCZTQSA-N 351.493 3.503 0 40 FHAB Cc1ccc([C@H]2OCCC[C@@H]2CNS(=O)(=O)c2cccs2)cc1 174078994 KPRQHFIGDADGEK-NVXWUHKLSA-N 351.493 3.503 0 40 FHAB Cn1nnc2cc(C(=O)N3CCCCC[C@H]3/C=C/c3cccs3)cnc21 184586416 QAFRKHLQRAYLES-HVHJFMEUSA-N 367.478 3.523 0 40 FHAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 222797991 BCDPDKNCOCTGHU-MOPGFXCFSA-N 364.474 3.570 0 40 FHAB CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCOC)c1C 223048945 FSUXOWCDGFIPTE-RBUKOAKNSA-N 372.538 3.529 0 40 FHAB CC1(C)CCc2cc(S(=O)(=O)NCc3ccccc3Cl)ccc2O1 223704999 OJWNUOQADNXLMC-UHFFFAOYSA-N 365.882 3.922 0 40 FHAB CCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1 223939361 VODKFRUMVPOCEL-OAHLLOKOSA-N 360.479 3.714 0 40 FHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1Cl 225595775 HILPVPPJRAPLII-UHFFFAOYSA-N 371.817 3.765 0 40 FHAB O=C(c1cncs1)N1CCC[C@H]1c1ncc(Cc2ccccc2F)o1 257215161 COYQKFLEHJDEKA-HNNXBMFYSA-N 357.410 3.838 0 40 FHAB COCCCNC(=O)c1ccc2c(c1)C[C@@](C)(Cc1ccccc1F)O2 257236255 HBJBMGXDOMZKMD-OAQYLSRUSA-N 357.425 3.528 0 40 FHAB Cc1cc(C(=O)N2CCC(c3cc(-c4c(C)noc4C)ccn3)CC2)on1 257247977 JBMBGVZHDUNHPL-UHFFFAOYSA-N 366.421 3.670 0 40 FHAB O=C(c1cnco1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257317082 VIILEYHHYJQABO-AWEZNQCLSA-N 371.824 3.927 0 40 FHAB COc1ccc(S(=O)(=O)NC2(c3cccs3)CCCC2)cc1C 390827179 FKOLFIXKFBYWBW-UHFFFAOYSA-N 351.493 3.813 0 40 FHAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccnc3)[C@@](O)(C(F)(F)F)[C@H]2C1 409101220 SCWOWPMWTRLJEG-IGCXYCKISA-N 369.387 3.607 0 40 FHAB O=C(O)COc1ccccc1/C=C1\C(=O)Nc2cc(C(F)(F)F)ccc21 409121232 XJVCZNWLEFJHGH-QPEQYQDCSA-N 363.291 3.662 0 40 FHAB Cc1cc(CCNC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)on1 585082908 NYWIIJUCLDPMSS-NRFANRHFSA-N 361.445 3.883 0 40 FHAB Cc1ccc(N2CCC(O)(CN3CCC[C@H]4OC(C)(C)CC[C@H]43)CC2)cc1 585286613 PFQJUXFXOJYKNL-NHCUHLMSSA-N 372.553 3.748 0 40 FHAB COc1cc(Cl)ccc1S(=O)(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 606462936 BECZYJVMEPKIGO-AWEZNQCLSA-N 367.898 3.909 0 40 FHAB CN(C[C@H]1C[C@@H](O)C1)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F 626250339 JLAGLEIDPIVMIJ-JGZJWPJOSA-N 366.767 3.516 0 40 FHAB CCCC(=O)N1CCC[C@@H](C(=O)Nc2ccc3nc(CC)sc3c2)C1 649028823 QYKJMJWCFGEJSP-CYBMUJFWSA-N 359.495 3.836 0 40 FHAB O=C(c1ccccc1N1CCCC1=O)N1CCc2ccc(Cl)cc2C1 1324541073 RPDZXMHMLJFIGM-UHFFFAOYSA-N 354.837 3.665 0 40 FHAB Cc1noc(C)c1C(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1ccc(F)cc1 1615154541 FWUIFISNVAHTKF-QAPCUYQASA-N 371.456 3.950 0 40 FHAB COc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)c(OC)c1OC 1775974358 YMLKOQBRSGSPRR-HOTGVXAUSA-N 357.450 3.816 0 40 FHAB O=C(N[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1)c1noc2c1CCCC2 1775987009 SBSFAZXZSFAURG-LBPRGKRZSA-N 369.852 3.975 0 40 FHAB COc1ccc(/C=C(\Cl)C(=O)Nc2ccccc2C(=O)O)cc1OC 77024535 DEVNHOGTVVGHRD-LCYFTJDESA-N 361.781 3.620 0 40 FHAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)N[C@H]1CCCc2ccccc21 22174085 MODFONAOEMOYPF-ABAIWWIYSA-N 374.535 3.787 0 40 FHAB CCOc1ccc2nc(SCC(=O)Nc3cc(C)on3)c(C)cc2c1 933032 WOKOMINKHAUSON-UHFFFAOYSA-N 357.435 3.969 0 40 FHAB COc1cccc(OCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1 2750730 ASVYVPDQFCEJJK-HOTGVXAUSA-N 355.434 3.524 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)Nc1nc(-c2ccccc2)ns1 42090570 WSLABXPDPRCOTJ-UHFFFAOYSA-N 353.403 3.505 0 40 FHAB COc1ccc2oc(C(=O)OCC(=O)N3[C@@H](C)CCC[C@@H]3C)c(C)c2c1 4319247 VDRXHFLOECAHRR-STQMWFEESA-N 359.422 3.696 0 40 FHAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C)CC2=O)cc1 4454455 YVWRWECRIAGBAS-INIZCTEOSA-N 352.434 3.775 0 40 FHAB C[C@H](OC(=O)c1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc(F)cc1 22975805 SIYKLCICWSEKHU-OLZOCXBDSA-N 354.381 3.730 0 40 FHAB N#CCOc1ccccc1/C=C(\Sc1nc2ccccc2o1)C(=O)O 7603094 QBEOHGNURRFDBO-WJDWOHSUSA-N 352.371 3.948 0 40 FHAB Cc1ccccc1NC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1 102682073 RSTFYUCCHONANF-YKCBXCCJSA-N 372.424 3.559 0 40 FHAB CCN(CC)C(=O)c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 3041217 WGLWPBUCOKQHOT-UHFFFAOYSA-N 353.249 3.685 0 40 FHAB O=C(COc1ccc2ccccc2c1)N[C@H]1CCN(Cc2ccccc2)C1 8389086 AWDIARUJWCAVJS-NRFANRHFSA-N 360.457 3.609 0 40 FHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2C)c(C)c1 8415812 FEMCADKTSWTAOR-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB CCCn1ccnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 12576167 FSBVOFIDEDMYMV-UHFFFAOYSA-N 359.373 3.923 0 40 FHAB COc1ccc(N2C(=O)C[C@H](Nc3cccc(C(C)C)c3)C2=O)cc1OC 12545353 FGQRIYDTBODALG-KRWDZBQOSA-N 368.433 3.571 0 40 FHAB O=C(Nc1cccc(CNc2ncnc3sccc23)c1)c1ccncc1 54836843 CAPZEWKHGHEINI-UHFFFAOYSA-N 361.430 3.951 0 40 FHAB CC(C)=C[C@@H]1[C@H](C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)C1(C)C 25638119 SUSRSQGHOHFWER-VAMGGRTRSA-N 374.500 3.554 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)CSc1ncnc2ccccc12 3253769 FJHJXAJCHKJRAP-OAHLLOKOSA-N 351.475 3.859 0 40 FHAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C1(c2ccc(Cl)cc2)CC1 59301757 FCIRUEZDFSCFNF-UHFFFAOYSA-N 356.731 3.717 0 40 FHAB O=C(Nc1ccc(N2CCNC2=O)cc1)Nc1ccc(C(F)(F)F)cc1 58208834 MNUPTWJIGOHBAB-UHFFFAOYSA-N 364.327 3.879 0 40 FHAB CCn1c([C@@H]2CCCN2C(=O)Nc2ccc(OC)nc2)nc2ccccc21 58323742 GZOCEPIHRNSNFR-KRWDZBQOSA-N 365.437 3.829 0 40 FHAB CCOC(=O)C1CCN(Cc2cc(=O)oc3cc(C)c(Cl)cc23)CC1 3350975 WTSGVAHYBUZSKF-UHFFFAOYSA-N 363.841 3.530 0 40 FHAB CC[C@H]1CCCCN1C(=O)COC(=O)C1(c2ccccc2F)CCCC1 3378828 SMYKDDHOUHWXMB-INIZCTEOSA-N 361.457 3.972 0 40 FHAB O=C(NC1CCN(CC2CCCC2)CC1)N1CC[C@H](c2ccccc2)C1 58419507 BOTAYGUZCYEBPZ-FQEVSTJZSA-N 355.526 3.840 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)CN1CCC(CCc2ccc(O)cc2)CC1 36398494 FZLMWGOCKYCHSH-DYESRHJHSA-N 358.526 3.732 0 40 FHAB COC(=O)C1(NC(=O)Cc2ccc(Cl)c(Cl)c2)CCCCCC1 29206131 CONFYBOQHFWKBO-UHFFFAOYSA-N 358.265 3.918 0 40 FHAB O=C(Cc1ccccc1)Nc1nonc1-c1ccc(Br)cc1 11917318 DPPLSMHWMAQLRD-UHFFFAOYSA-N 358.195 3.680 0 40 FHAB C[C@@]1(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)CC1(Cl)Cl 37132958 DFSXXSYAUFVTCL-INIZCTEOSA-N 350.249 3.883 0 40 FHAB Cc1ccccc1-n1c(C)nnc1SCC(=O)N(C)Cc1ccccc1 3424691 LQGXUBJLTYSGOH-UHFFFAOYSA-N 366.490 3.635 0 40 FHAB CC(=O)N[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 3446920 KTDOLQSEYYAZQH-MRXNPFEDSA-N 350.340 3.911 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)N[C@@H]1CCSc2ccccc21 12926356 ZDLYEVLPOVTCSX-MRXNPFEDSA-N 371.458 3.630 0 40 FHAB O=C(CCC(=O)c1ccc(Br)cc1)NCc1cccs1 13012646 FITPRKRKJRQQKB-UHFFFAOYSA-N 352.253 3.790 0 40 FHAB CC(C)(C)c1ccc(-c2nnc(COc3ccccc3C(N)=O)o2)cc1 8987227 JRHHCSFNRPZOIT-UHFFFAOYSA-N 351.406 3.712 0 40 FHAB COc1ccc(NC(=O)CCSCc2csc(C)n2)c(OC)c1 9065950 SRBLTUQIMRCKMM-UHFFFAOYSA-N 352.481 3.731 0 40 FHAB COc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)Nc3ncnn32)cc1OC 4454613 SWTOADYHIHGCBX-HOTGVXAUSA-N 354.385 3.581 0 40 FHAB CCc1nnc(NC(=O)/C=C/c2csc(-c3ccc(OC)cc3)n2)s1 14016813 KPIQUIIPVKCLQM-RMKNXTFCSA-N 372.475 3.885 0 40 FHAB CC(=O)c1c[nH]c(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1 14142287 ZGKVXKTUNUSHAH-SECBINFHSA-N 369.204 3.708 0 40 FHAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc1 4691008 NQCIYLUQVZAVIS-GZTJUZNOSA-N 366.442 3.978 0 40 FHAB Cc1cc(C(=O)O[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)on1 5565906 ITZJYVXFTRVEJK-KRWDZBQOSA-N 354.337 3.659 0 40 FHAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NCc1ccccc1 5557691 RPVBGXUGCHESER-OAQYLSRUSA-N 358.441 3.864 0 40 FHAB CCOc1ccccc1OCCCC(=O)Nc1nnc(-c2ccccc2)o1 6652178 HDZMEINGSCEUDE-UHFFFAOYSA-N 367.405 3.933 0 40 FHAB CCCN1C(=O)[C@](O)([C@H](C)C(=O)c2ccc(Cl)cc2)c2ccccc21 4724185 NVUAHCRZARSCNP-XCLFUZPHSA-N 357.837 3.803 0 40 FHAB Cc1ccccc1-c1nnc(SCC(=O)N[C@@H](C)c2cccs2)n1C 5859297 VGMXWYYDPRJTLE-ZDUSSCGKSA-N 372.519 3.822 0 40 FHAB COc1ccc([C@@H](CO)Cc2ccc(OC)cc2Br)cc1 22053256 KGLANTIQFPPNBN-CQSZACIVSA-N 351.240 3.785 0 40 FHAB in-vitro C[C@@H](Nc1ccc(SC(F)F)cc1)C(=O)Nc1ccc(C(N)=O)cc1 7221461 WOOHCPIXEGEUEX-SNVBAGLBSA-N 365.405 3.539 0 40 FHAB Cc1sc(NC(=O)CC(C)C)nc1-c1ccc2c(c1)NC(=O)[C@H](C)O2 19796581 KVZLXEGQFHLKGI-JTQLQIEISA-N 359.451 3.823 0 40 FHAB COc1cc(CNCc2c(C)nn(C)c2C)ccc1OCc1ccccc1 9389511 CZXOASBOSFZEBX-UHFFFAOYSA-N 365.477 3.914 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)CSc2nc3ccccc3o2)c1 7883811 NETMCZUSCJJMPG-LBPRGKRZSA-N 372.446 3.815 0 40 FHAB C[C@@H](Sc1nncn1-c1ccccc1)C(=O)NC[C@H](C)c1ccccc1 9322093 ZQDKXSNHMWEVAV-JKSUJKDBSA-N 366.490 3.668 0 40 FHAB COc1cc(C(=O)Nc2ccccc2F)cc(OC)c1Br 7947003 YWEQHLPKVWYYIB-UHFFFAOYSA-N 354.175 3.858 0 40 FHAB NC(=O)N[C@@H](CC(=O)N[C@@H]1CCCc2ccccc21)c1ccc(Cl)cc1 8076542 IHXMXAQEEFDECF-MSOLQXFVSA-N 371.868 3.633 0 40 FHAB Cc1c(C(=O)OCc2nc3c(C)cccc3c(=O)[nH]2)oc2ccc(F)cc12 8483456 BZGXDAWGESTAFB-UHFFFAOYSA-N 366.348 3.782 0 40 FHAB COc1ccc(Cl)cc1NC(=O)CN(C)Cc1cccc(F)c1F 8529697 LMMCUNYKOFKNHR-UHFFFAOYSA-N 354.784 3.697 0 40 FHAB CC(=O)Nc1ccc(OCC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 8501861 ZYMLXXFYTRAWGO-ZDUSSCGKSA-N 352.390 3.647 0 40 FHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cccc(-n2cccc2)c1 8708019 XGAQNSLHEMQVJB-UHFFFAOYSA-N 356.429 3.935 0 40 FHAB CCOc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1OCC 72331226 OJDNFPJDXDGLEX-UHFFFAOYSA-N 368.477 3.755 0 40 FHAB CCCOc1ccc(/C=C/C(=O)OCC(=O)c2ccccc2)cc1OC 408566345 FXFUMUPHMZWSOC-ZRDIBKRKSA-N 354.402 3.923 0 40 FHAB O=C(Nc1cnn(Cc2ccccc2)c1)c1ccc(CN2CCCC2)cc1 548412391 PVZOTJIBXQFHMQ-UHFFFAOYSA-N 360.461 3.780 0 40 FHAB CCCCN1CCC(C[C@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)O)CC1 72389736 VFZBPIHQWHNVLI-GOSISDBHSA-N 358.482 3.845 0 40 FHAB c1cncc(-c2ccc3nc([C@H]4CCN(Cc5ccsc5)C4)nn3c2)c1 306138240 RTBJDIIISRQQON-SFHVURJKSA-N 361.474 3.842 0 40 FHAB O=C(NCCSc1ccccc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38836536 LXFPJVKIBLWNJE-SFHVURJKSA-N 372.509 3.946 0 40 FHAB CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccc(C)cc2)cc1Cl 216389030 KXFDPBBJYFKYFS-UHFFFAOYSA-N 367.854 3.767 0 40 FHAB COc1ccc(-c2noc(C3(c4cccc(F)c4)CCOCC3)n2)cc1 71890045 XUMYBUXNOBLNHZ-UHFFFAOYSA-N 354.381 3.981 0 40 FHAB O=C(c1ccc2nsnc2c1)N(CCc1ccccc1)Cc1ccccn1 62017904 ANPISYIDEKJAOZ-UHFFFAOYSA-N 374.469 3.971 0 40 FHAB O=C(CN1CCCc2cccc(F)c21)Nc1ccccc1OC(F)F 32906861 VPYQGILPDSHUSJ-UHFFFAOYSA-N 350.340 3.818 0 40 FHAB Cc1ccc(S[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1 31851980 FMUBAYYWDNQNSM-GOSISDBHSA-N 354.519 3.820 0 40 FHAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1OC)c1ccc(OC)c(OC)c1 219504490 MCQVNBIAVRJSCO-GDBMZVCRSA-N 373.449 3.747 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(OC(C)C)nc2)cc1 72211909 UEAVNCJPAXKCGN-SFHVURJKSA-N 360.479 3.703 0 40 FHAB O=C(Nc1cnc(N2CCCC2)nc1)C(c1ccccc1)c1ccccc1 224247981 CZBCTQULJSAFHG-UHFFFAOYSA-N 358.445 3.847 0 40 FHAB Cc1cc(C)c(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)c(C)c1 222984606 WOTDJAKPZASLDE-UHFFFAOYSA-N 359.476 3.931 0 40 FHAB Cn1c(SCC(=O)NCc2ccccc2F)nc2cc(Cl)ccc21 44049127 TWAKHMSZRUNURP-UHFFFAOYSA-N 363.845 3.774 0 40 FHAB O=C(CCc1ccccc1F)NCc1nc(-c2ccc(Cl)cc2)no1 223379264 JSOTZPPZXFNSLT-UHFFFAOYSA-N 359.788 3.778 0 40 FHAB Cc1ccc(C)c(NC(=O)CSc2nc3ccc(C)cc3c(=O)n2C)c1 48344538 QDSUHJCXCYHZRX-UHFFFAOYSA-N 367.474 3.590 0 40 FHAB Cc1ccc(CCC(=O)NCc2cccc(N3CCCC3=O)c2)cc1C 224170569 FRHQLPUCOPBZFV-UHFFFAOYSA-N 350.462 3.679 0 40 FHAB COc1ccc(CN2CC[C@]3(C[C@H](Nc4ccc(OC)cc4)CO3)C2)cc1 96047628 FTYOTOMNKQDXBK-UGKGYDQZSA-N 368.477 3.549 0 40 FHAB CCOCCCNC(=O)c1cc2c(c3ccccc3n2CC2CC2)n1C 96037420 VAQHNOVEKDFHKY-UHFFFAOYSA-N 353.466 3.699 0 40 FHAB C[C@@H]1[C@H](OC(=O)c2cccc(N3C(=O)CCC3=O)c2)C[C@H]2C[C@H]1C2(C)C 245228167 IGPLREQKGCQVKF-LBRJOISOSA-N 355.434 3.568 0 40 FHAB CCc1ccc(-n2nc(C(=O)O)c(N3CC[C@@H](c4ccccc4)C3)n2)cc1 256048715 VPYCONHFQXTZNV-QGZVFWFLSA-N 362.433 3.522 0 40 FHAB Cc1nn(CC2CC2)c(C)c1CC(=O)Nc1ccc2oc(C(=O)O)cc2c1 652068192 VRAVNAIRBVLTBE-UHFFFAOYSA-N 367.405 3.536 0 40 FHAB Cn1nc(-c2ccccc2NC(=O)c2cccc(C(F)(F)F)c2)ccc1=O 96025108 SJHATQWQUZIWAO-UHFFFAOYSA-N 373.334 3.718 0 40 FHAB OC1(COc2ccc(F)cc2)CCN(Cc2ccc3[nH]ccc3c2)CC1 585271211 UNQNUXLACOWJHB-UHFFFAOYSA-N 354.425 3.713 0 40 FHAB Cc1noc(C)c1CN1CCC[C@@]2(CCCN2C(=O)c2ccoc2)CC1 585100248 IVNXTJOCBLVYSQ-HXUWFJFHSA-N 357.454 3.545 0 40 FHAB O=S(=O)(N1CCC2(CCCCC2)CC1)N1CC[C@H]1c1cccc(F)c1 675756264 MALKBLQKSRPMMD-SFHVURJKSA-N 366.502 3.864 0 40 FHAB CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc2n(n1)CCCC2 1548448194 YSKCGDNUSXDOOL-UHFFFAOYSA-N 367.280 3.597 0 40 FHAB O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1cccc[n+]1[O-] 45016775 IULJPSUBNBMUCD-UHFFFAOYSA-N 351.431 3.575 0 40 FHAB COc1ccc(CCC(=O)NCC2(c3cccc(F)c3)CCOCC2)cc1 55451198 STFRGJVJJSMXET-UHFFFAOYSA-N 371.452 3.632 0 40 FHAB Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(F)cc2)o1 5027508 KWGHRPLTIZZJFP-UHFFFAOYSA-N 373.409 3.827 0 40 FHAB OC1(Cn2ccc3nc(Cl)ccc32)CCN(C[C@H]2CC=CCC2)CC1 12163178 AOZDPYLWGJWJFF-INIZCTEOSA-N 359.901 3.873 0 40 FHAB CC[C@@H](CN1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccccc1 12239702 GBGIAMASRSGOEJ-KRWDZBQOSA-N 357.523 3.652 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(c2ccc(F)cc2)CC1 12554474 PZTKLBLEQIFOEY-UHFFFAOYSA-N 367.399 3.784 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=O)/C=C/c2ccc3c(c2)OCO3)c1 13668619 VHZJNOJSZKTFNQ-RMKNXTFCSA-N 353.374 3.552 0 40 FHAB Cc1cccc(OCC(=O)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)c1 17074788 WAGZIAVYSRDEDP-UHFFFAOYSA-N 363.461 3.954 0 40 FHAB COc1cc(CNC(=O)Nc2cccc(Cl)c2)cc(OC)c1OC 18174779 LFMLJDXDWVYVEA-UHFFFAOYSA-N 350.802 3.688 0 40 FHAB Cc1cc(=O)cc(C2CCN(C(=O)c3csc4c3CC[C@H](C)C4)CC2)[nH]1 19570412 XZIOGIVHMNZKDO-ZDUSSCGKSA-N 370.518 3.889 0 40 FHAB Cc1cccc2c(C(=O)N[C@H](C)CN3CCCC3)cc(-c3cccnc3)nc12 19716695 KHMOXHQRLOXPNL-QGZVFWFLSA-N 374.488 3.819 0 40 FHAB CC(C)C(=O)N1CCC(CC(=O)NCC(C)(C)c2ccccc2F)CC1 19748732 RSWDLJDRBKDHCJ-UHFFFAOYSA-N 362.489 3.504 0 40 FHAB Cc1ccc(-n2cnc(C(=O)Nc3ccc(Br)cc3)n2)cc1 19910738 IOQCOXHWTSLRJW-UHFFFAOYSA-N 357.211 3.591 0 40 FHAB CSc1ncc(/C=C/C(=O)Nc2ccc(Br)cc2)cn1 6175123 QRCLUOORRIRIPK-FARCUNLSSA-N 350.241 3.613 0 40 FHAB O=C(O)C[C@H]1SC2=Nc3ccc(Cl)cc3[C@@H](c3ccccc3)N2C1=O 5775053 OAKXHCDPXAKZPG-GDBMZVCRSA-N 372.833 3.849 0 40 FHAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc(-c2ncon2)cc1 107212070 NEBKRRFELPDPFI-GOSISDBHSA-N 350.422 3.833 0 40 FHAB CN(C)C(=O)c1cccc(NC(=O)CCC(=O)c2ccc(Cl)s2)c1 21137727 MYZYSMLBSDYNOL-UHFFFAOYSA-N 364.854 3.705 0 40 FHAB CCN(C(=O)Cn1cnc2sccc2c1=O)c1cccc2ccccc12 23064684 XKWYXUVFMZXZMW-UHFFFAOYSA-N 363.442 3.664 0 40 FHAB O=C1O[C@@]2(CCCN(C3CCOCC3)CC2)CN1c1ccc(Cl)cc1 2037838516 LFORPGWEYRSDPL-LJQANCHMSA-N 364.873 3.700 0 40 FHAB CCOc1ccc(-n2c(SC)nc3c([nH]c4ccccc43)c2=O)cc1 2720829 SAMLZEATVKNFFW-UHFFFAOYSA-N 351.431 3.988 0 40 FHAB CCOc1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1 4325814 AWPMJDNIRYBVMO-UHFFFAOYSA-N 356.403 3.719 0 40 FHAB O=C(Nc1ccc(F)cc1F)c1cccn(Cc2cccc(F)c2)c1=O 5268808 AFAMOWQMBYAUNO-UHFFFAOYSA-N 358.319 3.566 0 40 FHAB O=C(c1cccn(Cc2ccccc2F)c1=O)N1CCCc2ccccc21 5270506 AVPJOIFDDJIDRA-UHFFFAOYSA-N 362.404 3.629 0 40 FHAB CCC(=O)N1CCCc2ccc(NC(=O)NCc3ccc(F)cc3)cc21 22502959 GTLYNTWREUSSAZ-UHFFFAOYSA-N 355.413 3.837 0 40 FHAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cnns1 40150771 RDCBXNNHJVWIST-UHFFFAOYSA-N 356.373 3.800 0 40 FHAB CC(=O)Nc1ccc(/C=C/C(=O)N(C)c2nc3ccccc3s2)cc1 40047072 WURIYOCEAVBMAT-FMIVXFBMSA-N 351.431 3.931 0 40 FHAB CC(C)(C)c1cn2nc(NC[C@H](c3ccco3)N3CCCC3)sc2n1 40153403 HGAATIWKYAIEOT-CYBMUJFWSA-N 359.499 3.930 0 40 FHAB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1=C(C)C 100844250 QUGHVESQNBDHPS-SLUIBLPYSA-N 365.429 3.546 0 40 FHAB COc1ccc(-c2nnc(S[C@H](C)C(N)=O)n2[C@H]2CCCC[C@@H]2C)cc1 21258125 NOULKAYSNPHPQA-ZENOOKHLSA-N 374.510 3.671 0 40 FHAB O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc(N2CCCC2=O)cc1 33136517 TVYBZZWENOSEHT-UHFFFAOYSA-N 374.400 3.648 0 40 FHAB CCC1=NN(C(=O)c2cccc(Cl)c2)[C@@](O)(c2ccc(OC)cc2)C1 715026 ACNABPRSIWWORT-IBGZPJMESA-N 358.825 3.806 0 40 FHAB CC(C)c1nc2sc3c(SCC(N)=O)ncnc3c2c2c1CCCC2 1302443 DORSVLMQAHXSOJ-UHFFFAOYSA-N 372.519 3.819 0 40 FHAB Cc1ccc2c(c1)[nH]c1c(N3CCN(c4ccc(F)cc4)CC3)ncnc12 2242411 PTWXKVCLEDSHLA-UHFFFAOYSA-N 361.424 3.885 0 40 FHAB CC(C)N(C(=O)CSc1nncn1-c1ccccc1)c1ccccc1 3292782 SRSKNFIZGUCBAF-UHFFFAOYSA-N 352.463 3.801 0 40 FHAB O=C(COC(=O)CCCOc1ccc(Cl)cc1Cl)NC1CCCC1 3392561 AUDZVQZFWPZLDS-UHFFFAOYSA-N 374.264 3.754 0 40 FHAB Cc1cc(C)n2nc(S[C@@H](C)C(=O)c3c(C)[nH]c4ccccc34)nc2n1 4523688 UWCVOTWKIPRCEM-ZDUSSCGKSA-N 365.462 3.894 0 40 FHAB O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(c2nc3ccccc3s2)C1 4967863 GKOHIRBOXRDQIU-OAHLLOKOSA-N 369.465 3.968 0 40 FHAB Cc1ccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)cc1Cl 4986537 ANPBVVPJXTYCKY-UHFFFAOYSA-N 359.838 3.572 0 40 FHAB COc1ccc(-c2nn3c(COc4cccc(C)c4)nnc3s2)cc1 5032333 WZSFCJDNLVKBHZ-UHFFFAOYSA-N 352.419 3.749 0 40 FHAB CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3[C@H]2c2ccccc2)cc1 5155432 FDMOAZJYUFXHOK-LJQANCHMSA-N 361.401 3.645 0 40 FHAB CCC[C@H](C)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccccc1OC 5564091 VRWZTDUHGKBLLK-ZBEGNZNMSA-N 361.467 3.733 0 40 FHAB CCCCN1C(=O)S[C@H](Cc2cc(OCC)c(OC)cc2C)C1=O 6647675 JNHOJTSREQKKAL-MRXNPFEDSA-N 351.468 3.809 0 40 FHAB CN(C)[C@@H](CNC(=O)CCC(=O)c1ccc(Cl)s1)c1cccs1 6787834 LJMAOACKOJBBCA-NSHDSACASA-N 370.927 3.845 0 40 FHAB COC(=O)[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2O1 6810815 KGRYOKKEZLDLQU-SFHVURJKSA-N 353.418 3.565 0 40 FHAB CCOc1ccc(OCCNC(=O)Cc2cccc(C(F)(F)F)c2)cc1 7037442 FFJSSSMRJNTIFX-UHFFFAOYSA-N 367.367 3.842 0 40 FHAB COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cn1 7056548 YVSMMGQGFUCJDM-UHFFFAOYSA-N 366.748 3.563 0 40 FHAB CSc1ccc(/C=C2\CCn3c2nc2cc(C(=O)O)ccc2c3=O)cc1 7157871 VZQMIQSAUKNDSF-JLHYYAGUSA-N 364.426 3.761 0 40 FHAB COc1ccc(C(=O)CN(C2=NCCCS2)c2ccccc2)cc1OC 7276031 YZPGOJBUZHSOBG-UHFFFAOYSA-N 370.474 3.886 0 40 FHAB O=C(COC(=O)/C=C/c1nc2ccccc2s1)NCCC1=CCCCC1 7432590 INWDKLGOXMYQHR-ZHACJKMWSA-N 370.474 3.859 0 40 FHAB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](CC)c2ccccc2)cc1 7650826 CIPGZYRXSJTTAA-GOSISDBHSA-N 369.417 3.539 0 40 FHAB Clc1ccc(-c2noc(CSc3nnnn3C3CCCC3)n2)cc1 8544838 YHSMCTGTSKDZFE-UHFFFAOYSA-N 362.846 3.784 0 40 FHAB CC1(C)C[C@]2(C[C@@H](c3ccccc3)Oc3cc(O)ccc32)NC(=S)N1 8690939 LRBROLUCYAUOSF-PXNSSMCTSA-N 354.475 3.758 0 40 FHAB C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 9049866 MTQILUNEBDPDSH-SECBINFHSA-N 370.459 3.585 0 40 FHAB Cc1ccccc1-c1nnc2s/c(=C/c3ccc(C(C)C)cc3)c(=O)n12 9189080 IXZPKBNNJCGNPU-LDADJPATSA-N 361.470 3.798 0 40 FHAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3coc(-c4cccs4)n3)C2=O)cc1 9450031 FFTHXIMLCRZTRF-LJQANCHMSA-N 367.430 3.679 0 40 FHAB C[C@H]1CCc2sc3ncn4c(-c5ccc(O)cc5O)nnc4c3c2C1 9477168 PCMSODYXQLGHCG-VIFPVBQESA-N 352.419 3.542 0 40 FHAB Cc1nc2cc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)ccc2o1 9951875 HXIMUMVPCUAIPB-QGZVFWFLSA-N 352.390 3.946 0 40 FHAB COc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c(F)c1 10545898 PLBPTFDENIGOLH-ZDUSSCGKSA-N 353.397 3.730 0 40 FHAB Cc1ccc(CNC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1F 11607817 ODCHUFDUFDPXIQ-UHFFFAOYSA-N 354.425 3.939 0 40 FHAB Cc1n[nH]c(S[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)n1 11699049 WFOHQYCSPDIGNI-OAHLLOKOSA-N 366.490 3.823 0 40 FHAB COc1ccc(-c2c(C)nn3cc(C(=O)c4ccccc4O)cnc23)cc1 12115668 ONYNVBHVXMVQOC-UHFFFAOYSA-N 359.385 3.650 0 40 FHAB CC1CCN(C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)C2CCCC2)CC1 12291632 YMEVBUCKZCOLIR-JOCHJYFZSA-N 370.537 3.921 0 40 FHAB Cc1cccc(C2(O)CCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)c1 12330687 MNKKIHFIZHFHOL-UHFFFAOYSA-N 365.452 3.803 0 40 FHAB C[C@@H](Nc1cccc(C(=O)NC2CC2)c1)c1nnc(-c2ccc(F)cc2)o1 12555549 UYUINGXIJDVIDM-GFCCVEGCSA-N 366.396 3.941 0 40 FHAB CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)Nc1ccc2c(c1)CCC2 12806446 UFGWSVPSFGNJKA-HXUWFJFHSA-N 365.477 3.638 0 40 FHAB COC(=O)c1cnc(NC(=O)Cc2ccc(-c3ccccc3)cc2)s1 12869393 OXNZPLUGOMAFMM-UHFFFAOYSA-N 352.415 3.778 0 40 FHAB Cc1ccc(C(=O)CCC(=O)NCC(=O)Nc2cccc(C)c2C)cc1C 12941505 UPNNPKSETCBYOY-UHFFFAOYSA-N 366.461 3.638 0 40 FHAB COc1ccc([C@H](C)N(C)C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)cc1 12987227 RXTNRCZDYUEHQI-ZDUSSCGKSA-N 368.412 3.557 0 40 FHAB CC(C)n1ncc2cc(C(=O)Nc3ccc4c(c3)OC(F)(F)O4)cnc21 12998948 QSJBCZQEOLZDAZ-UHFFFAOYSA-N 360.320 3.586 0 40 FHAB CCCCNC(=O)COc1ccc(Cl)cc1C(=O)Nc1ccccc1 13058432 OKEYEKYFYSHWAI-UHFFFAOYSA-N 360.841 3.887 0 40 FHAB CCCOC(=O)c1ccc(NC(=O)C[C@](C)(C(=O)O)c2ccccc2)cc1 13251508 WIWIDUOJFBCHBO-NRFANRHFSA-N 369.417 3.625 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 14023359 JTPLFDVOGADBOH-LLVKDONJSA-N 362.813 3.713 0 40 FHAB COc1cc(C2SCCS2)ccc1Oc1ncnc2c1cnn2C 14201620 DHUNGKXQZZKORL-UHFFFAOYSA-N 360.464 3.643 0 40 FHAB Cc1ccc(OCC(=O)N2CCC(c3ccccc3)=N2)c2c1[C@@H](C)CC2=O 14373829 NKXCXODOZAIFLT-HNNXBMFYSA-N 362.429 3.700 0 40 FHAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/C=C\c3ccco3)C2=O)c1 15277352 AHTXOOIJMADDRF-DUXBONDNSA-N 368.414 3.819 0 40 FHAB CCCC[C@@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2ON1c1ccccc1 17859362 TYGWXDDSOQBXNU-AABGKKOBSA-N 364.445 3.864 0 40 FHAB CCc1cc(C(=O)Nc2ccc3nc(C)c(C)nc3c2)c2c(C)noc2n1 19663471 OPQUGJHFLCBSOT-UHFFFAOYSA-N 361.405 3.906 0 40 FHAB COc1c(Cl)cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1Cl 19942922 SFVODPXNBGPMLV-NXEZZACHSA-N 352.283 3.669 0 40 FHAB CN(C)CCCNC(=O)c1ccc(OCCSc2ccccc2)cc1 20105314 KHPWGTWKCJAUHB-UHFFFAOYSA-N 358.507 3.539 0 40 FHAB COc1ccc(CN(C)C(=O)c2cc(Cl)ccc2F)c(OC)c1OC 21922745 PGVGJVKBABQQQS-UHFFFAOYSA-N 367.804 3.777 0 40 FHAB O=C(Nc1cccc(OC2CCCC2)c1)C1CCN(c2cnccn2)CC1 23113838 OEJZHINNLKOWRG-UHFFFAOYSA-N 366.465 3.653 0 40 FHAB CN1c2ccccc2C(=O)N[C@@H]1c1ccc(OC(F)F)cc1OC(F)F 24098456 JAGNEJBRMTXVDW-AWEZNQCLSA-N 370.302 3.768 0 40 FHAB COC(=O)C[C@H](NC(=O)c1cc(F)c(F)cc1Cl)c1cccs1 25195041 KBWVHYHYMSTAMH-LBPRGKRZSA-N 359.781 3.714 0 40 FHAB CSc1ccc(C(=O)CCC(=O)N(C)Cc2ccc3c(c2)OCO3)cc1 25249865 ZRMDYUMWVXXEDD-UHFFFAOYSA-N 371.458 3.759 0 40 FHAB COc1ccc(C(=O)C2CCN(C(=O)[C@@]3(C)CC3(Cl)Cl)CC2)cc1 25916275 KQBGIWRRYHVNIU-QGZVFWFLSA-N 370.276 3.700 0 40 FHAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 27378083 FALMZJYESHMPFC-UHFFFAOYSA-N 354.450 3.652 0 40 FHAB COc1cc2c(cc1NC(=O)CCCCCNC(N)=O)oc1ccccc12 32819904 WXKIGOZLFWERHH-UHFFFAOYSA-N 369.421 3.762 0 40 FHAB CCN(CC)C(=O)[C@H]1CCCN(C(=O)Nc2ccc3nc(C)sc3c2)C1 33743310 JKLKTJXLFQAXLS-AWEZNQCLSA-N 374.510 3.717 0 40 FHAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(SC(F)F)cc1 36747795 QZKMAMDGENWPQG-AWEZNQCLSA-N 368.405 3.987 0 40 FHAB CCOc1ccc(C(=O)OCc2nc3ccccc3nc2C)cc1OC 39574477 CDXPOXXOKWYKNQ-UHFFFAOYSA-N 352.390 3.703 0 40 FHAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 43772805 XZTUSOXSLKTKJQ-NKCSQUSFSA-N 374.521 3.604 0 40 FHAB Cc1ccc(-n2cnnn2)cc1NC(=O)c1cc(F)c(Cl)cc1Cl 44600688 LXUHALYUOXDQTA-UHFFFAOYSA-N 366.183 3.669 0 40 FHAB C[C@H]1CN(C(=O)Nc2cccc(COCCOc3ccccc3)c2)CCO1 47606461 MDAZELCSFJVZSG-KRWDZBQOSA-N 370.449 3.535 0 40 FHAB Cc1nc(-c2cccc(F)c2)sc1C(=O)NCc1ccc(C(=O)O)cc1 49546507 DZKFOCLIQGTROR-UHFFFAOYSA-N 370.405 3.886 0 40 FHAB COc1ccc(C(=O)Nc2ccccc2OC[C@H]2CCCCO2)c(OC)c1 57369070 LZIDDYGODIGNGN-MRXNPFEDSA-N 371.433 3.904 0 40 FHAB C[C@H]1CCCCN1CCCNC(=O)c1ccc(COc2ccccc2)o1 57997345 FNVJUZRUUFHDNT-KRWDZBQOSA-N 356.466 3.853 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)NCCSCc2cccs2)c1 58329621 SJPANKVUYQHVHF-UHFFFAOYSA-N 364.492 3.898 0 40 FHAB CC(=O)Nc1cc(NCc2cn3cc(Cl)ccc3n2)c(F)cc1F 66375296 GBHZCGUPUAKMNR-UHFFFAOYSA-N 350.756 3.836 0 40 FHAB Cn1ncc(C(=O)NCc2nc(-c3ccc(Cl)cc3)cs2)c1Cl 72243355 NLYTVTLVAWDJQE-UHFFFAOYSA-N 367.261 3.780 0 40 FHAB COc1cccc([C@H](C)N2CCN(c3ccc(C(C)=O)cc3F)CC2)c1 72309060 DPDZTDRKVBQLIZ-HNNXBMFYSA-N 356.441 3.920 0 40 FHAB C[C@H]1CN(Cc2ccccc2CNCc2c[nH]nc2C(C)(C)C)C[C@@H](C)O1 79922961 ZQWQCXLRNNZLLR-CALCHBBNSA-N 370.541 3.606 0 40 FHAB NC(=O)[C@@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)C1 84351314 QHTHKRLVIUSHLR-SNVBAGLBSA-N 369.273 3.669 0 40 FHAB O=C(CSc1nncc2ccccc12)N[C@@H]1CCCC[C@@H]1C(F)(F)F 84598789 GLHYZCSYFDFZFI-UONOGXRCSA-N 369.412 3.959 0 40 FHAB CC(C)(C)OC(=O)N1CC[C@H](NCCc2ccc(Br)cc2)C1 89223461 MQPWFPMDVIEVLT-HNNXBMFYSA-N 369.303 3.591 0 40 FHAB Cc1cnn(-c2ccccc2)c1C(=O)NC1CCN(Cc2ccccc2)CC1 94993189 MNEXHVPZYRWWOY-UHFFFAOYSA-N 374.488 3.575 0 40 FHAB COc1ccc(CNC(=O)c2nc(Cl)sc2C(C)C)cc1OC 95478258 CRFRYSCEWCGZKQ-UHFFFAOYSA-N 354.859 3.867 0 40 FHAB CCOc1ccc([C@H](N)c2n[nH]c(-c3ccccc3C)n2)cc1OCC 95534572 MEJKCEBKXUUSOI-SFHVURJKSA-N 352.438 3.626 0 40 FHAB COc1ccccc1NC(=S)NNc1ccc(Br)cc1 95947966 KIKIWTZHOYMRLT-UHFFFAOYSA-N 352.257 3.771 0 40 FHAB O=C(N[C@H]1CCCc2c1[nH]c1ccccc21)c1cc(-c2cccnc2)n[nH]1 96231865 APIMBLWQMWIZPR-KRWDZBQOSA-N 357.417 3.760 0 40 FHAB Fc1ccc(-n2cc(CNc3ncccc3OC(F)F)nn2)cc1Cl 97143601 HIKUJACNMAYNRG-UHFFFAOYSA-N 369.734 3.668 0 40 FHAB COC(=O)[C@H](NC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)C(C)C 100970316 WPORGYYEHRWUMG-SFQKBJPPSA-N 369.505 3.838 0 40 FHAB Cc1ccc(C2=C[C@@H](c3cccc(Br)c3)n3nnnc3N2)cc1 101224696 XACIAHWNXRUXSQ-INIZCTEOSA-N 368.238 3.800 0 40 FHAB C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 104095792 RJRLFRZPHMGDFA-QIJLZVCCSA-N 372.484 3.619 0 40 FHAB CC1(C)C[C@@H](NC(=O)CCc2ccc3c(c2)OCCO3)c2ccccc2O1 121875781 TXEIOTSMBXGOPZ-QGZVFWFLSA-N 367.445 3.809 0 40 FHAB Cn1cc([C@@H](O)CNC(=O)CCc2cccc(Cl)c2)c2ccccc21 217575256 LZSNHEDIXUUCAC-IBGZPJMESA-N 356.853 3.614 0 40 FHAB CC[C@H](NC(=O)[C@H](C)Oc1cccc(OC)c1)c1ccc(OC)c(OC)c1 219307334 ZTASSKIFSWBBIN-KSSFIOAISA-N 373.449 3.747 0 40 FHAB O=C(Cc1ccsc1)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 220924803 PWGIRUPMBOFSNW-ZDUSSCGKSA-N 373.503 3.883 0 40 FHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(C(C)C)cc3)c(C)cc21 223353537 GXZZSCXNKOVPSK-UHFFFAOYSA-N 374.462 3.847 0 40 FHAB CC[C@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224027492 VQTIMXQROUFRPV-LBPRGKRZSA-N 366.870 3.669 0 40 FHAB Cn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1F 224439363 ZLVZBGCXYSOEEL-ROUUACIJSA-N 352.438 3.736 0 40 FHAB COc1ccc(S(=O)(=O)N(C)c2ccccc2Br)cc1C 224641288 CJRGNBMAQQIDAQ-UHFFFAOYSA-N 370.268 3.591 0 40 FHAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c(OC)c1 224808739 GXJMLIBKIJODDP-CQSZACIVSA-N 355.434 3.989 0 40 FHAB O=C(NCCSCc1ccccc1Cl)c1ccc2c(c1)OCCO2 225398723 SLODHKNAYRZFIQ-UHFFFAOYSA-N 363.866 3.774 0 40 FHAB CCOC(=O)c1cc(NC(=O)C2(OC)CCCCCC2)ccc1OCC 225806283 HPUNVLLJQQWEFS-UHFFFAOYSA-N 363.454 3.940 0 40 FHAB O=C(NC[C@H](c1ccco1)N1CCSCC1)Nc1ccccc1Cl 253400587 LKAGZUZDFYUXAW-OAHLLOKOSA-N 365.886 3.845 0 40 FHAB CC(C)C(=O)NC[C@@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O 257260828 LEOSVOMUONIEIW-PAPPXSOASA-N 359.510 3.641 0 40 FHAB Cc1ccc(CN2CCC[C@H](c3ccnc(Nc4ncccn4)c3)C2)cn1 257283982 PATSDCSTPMTKOS-IBGZPJMESA-N 360.465 3.698 0 40 FHAB Cc1noc(C)c1CC(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1 585090904 ZFEVCKWNYSPPIO-UHFFFAOYSA-N 354.328 3.538 0 40 FHAB Cc1nc(C(C)C)oc1C(=O)N1C[C@@H](CO)[C@H](c2ccc(Cl)cc2)C1 585139789 FZRYEDGQWOSVPM-HOCLYGCPSA-N 362.857 3.608 0 40 FHAB Cc1nc(S(=O)(=O)N2CCc3ccccc3C2)c(-c2ccccc2)s1 585152232 DMWSMYWRVBPGLV-UHFFFAOYSA-N 370.499 3.866 0 40 FHAB COc1ccc2c(N3CC4(CCC4)[C@H]3c3ccncc3)ncnc2c1F 596575879 WJGVMGQWRGDIOY-GOSISDBHSA-N 350.397 3.904 0 40 FHAB COC(=O)[C@@H]1CCc2nnc([C@@H](C)Oc3ccc4ccccc4c3)n2CC1 601043651 GUKMPBZVFSVPNB-GDBMZVCRSA-N 365.433 3.697 0 40 FHAB O=C([C@@H]1Cc2ccccc21)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 607897555 XMQPMNFRYPSXPP-LJQANCHMSA-N 358.445 3.518 0 40 FHAB Cc1ccccc1C(=O)NCC(=O)N1CCC[C@@H]1c1c(C)cccc1C 617175677 MMTJFPFWRGGRDG-LJQANCHMSA-N 350.462 3.705 0 40 FHAB COCc1cc(Cl)ccc1NC(=O)C1(C(F)(F)F)CCOCC1 622888181 WKYIWHVQZMWFGT-UHFFFAOYSA-N 351.752 3.784 0 40 FHAB CN(C)Cc1ccc(NCc2cnc(C3CC3)o2)cc1Br 628246557 SBEWEIINLJXDJZ-UHFFFAOYSA-N 350.260 3.988 0 40 FHAB CCN1CCCCN[C@@H](Cc2ccccc2)COc2ccccc2C1=O 643562488 WVGGPCLAGYAYTB-IBGZPJMESA-N 352.478 3.522 0 40 FHAB O=C(N=c1[nH][nH]cc1Br)C1(c2ccc(Cl)cc2)CCCC1 646213845 FQGKFPDNXXIADJ-UHFFFAOYSA-N 368.662 3.698 0 40 FHAB O=C(O)[C@H]1CN(Cc2nc(-c3cccc(Cl)c3)no2)Cc2ccccc21 652470724 IMOALKFOPULRQG-INIZCTEOSA-N 369.808 3.574 0 40 FHAB COCc1ccc(CN[C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)o1 680145515 STICHGHCHPIJJP-YUXAGFNASA-N 354.494 3.816 0 40 FHAB Cc1ccc(Br)cc1C(=O)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1775975478 IBGNNNDVUWPLEC-GJZGRUSLSA-N 374.282 3.962 0 40 FHAB FC(F)(F)c1ccnc(OC2CCN(c3ccc(Cl)cn3)CC2)n1 1776008300 CFUJAMFROOONOZ-UHFFFAOYSA-N 358.751 3.592 0 40 FHAB O=C(C1CC(F)(F)C1)N1CC[C@@]2(COc3ccc(-c4cccnc4)cc32)C1 2055793314 OBUWZNDDSJHFSF-FQEVSTJZSA-N 370.399 3.656 0 40 FHAB CCCOc1c(I)cc(Br)cc1C=O 2767178 DEBPNQCDANFXBC-UHFFFAOYSA-N 368.996 3.655 0 40 FHAB C[C@H](c1ccccc1Cl)N(C)C(=O)Nc1ccc(S(C)(=O)=O)cc1 47352917 ZXVVLTXDESCXHE-GFCCVEGCSA-N 366.870 3.968 0 40 FHAB CCOC(=O)c1ccc(NCCCNc2ccc(C(=O)OCC)cc2)cc1 1697245 FDQGUFOQQCIQQE-UHFFFAOYSA-N 370.449 3.954 0 40 FHAB O=C(C[C@H](NCc1ccccc1)C(=O)O)Nc1cc(Cl)ccc1Cl 4280187 KOKXPMUTOOIHKW-HNNXBMFYSA-N 367.232 3.565 0 40 FHAB CCOc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1OC 4510708 URWOVQLRVXXRKZ-UHFFFAOYSA-N 369.461 3.572 0 40 FHAB CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1ccoc1C 4860792 FPUMSHXHTRZCLG-SWLSCSKDSA-N 362.499 3.653 0 40 FHAB CCOCCCNc1c2c(nc3cc(-c4ccc(F)cc4)nn13)CCC2 4966216 XFPFGZLKCWXGSY-UHFFFAOYSA-N 354.429 3.863 0 40 FHAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2cc(C)ccc2C)CC1=O 7608172 KKFJACFRGXXDOM-CQSZACIVSA-N 372.852 3.957 0 40 FHAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccccc2OC)CC1=O 7928225 UQBSOIKHKXEBLA-QGZVFWFLSA-N 366.461 3.812 0 40 FHAB Cc1cccc2c1ccn2CC(=O)NC1CCN(Cc2ccccc2)CC1 61718463 GGAPHOWEPVFPIW-UHFFFAOYSA-N 361.489 3.731 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)COc2ccc(Cl)c(C)c2)c1 8154321 BGWXRCJQBFQDHA-CYBMUJFWSA-N 363.841 3.922 0 40 FHAB COc1ccc(-c2nc3n(n2)C(=O)C[C@@H](c2ccc(F)cc2)S3)cc1 1473484 GLPCVPWMLOZFSE-HNNXBMFYSA-N 355.394 3.970 0 40 FHAB C[C@H](NC(=O)NC1CCC2(CC1)OCCO2)c1ccc2c(c1)CCCC2 43861377 DOQJLNXJKAKAFQ-HNNXBMFYSA-N 358.482 3.611 0 40 FHAB Cn1cc([C@@H]2C[C@@H]2C(=O)Nc2ccnn2Cc2cccc3ccccc23)cn1 72277079 KMWMKVIESPNODN-PMACEKPBSA-N 371.444 3.560 0 40 FHAB CCN(CC)CCNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 3209295 LWXKUAROMWUCKI-UHFFFAOYSA-N 368.506 3.672 0 40 FHAB CCN(C1=C(Cl)C(=O)N(c2cccc(OC)c2)C1=O)c1ccccc1 1948351 TXZXAJKDGNYGCN-UHFFFAOYSA-N 356.809 3.545 0 40 FHAB COc1cccc([C@@H](CNC(=O)c2cc(C)sc2C)N2CCCC2)c1 27341516 QDMDFGBKGLEPAC-LJQANCHMSA-N 358.507 3.940 0 40 FHAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc(Cn2cccn2)cc1 10078488 GTANCBOAICWAAA-UHFFFAOYSA-N 362.458 3.813 0 40 FHAB COc1ccccc1N1CCN(c2cc(-c3ccccc3F)ncn2)CC1 27913631 MSWYRORNMGQGMS-UHFFFAOYSA-N 364.424 3.618 0 40 FHAB CC(C)n1nc(O)c2c(-c3cccc(Cl)c3)c3sc(=O)[nH]c3nc21 72405504 JFZGRXSYCKGRJP-UHFFFAOYSA-N 360.826 3.941 0 40 FHAB Clc1ccc(C2(NCc3nnnn3-c3ccccc3)CC2)cc1Cl 58203397 PSYAOIZLDHWNMO-UHFFFAOYSA-N 360.248 3.748 0 40 FHAB COc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2)cc1OC 20454255 LHRZIAIUJLBGFA-GFCCVEGCSA-N 369.870 3.538 0 40 FHAB Cc1ccccc1COc1ccc2c(C)c(CC(=O)O)c(=O)oc2c1C 2149076 OVRUDNWWZORPPX-UHFFFAOYSA-N 352.386 3.924 0 40 FHAB biogenic Cc1cc(-c2cc(C(=O)NO[C@H]3CCCCO3)c3c(C)noc3n2)c(C)o1 58429716 ICZKQHYPZFXZPH-INIZCTEOSA-N 371.393 3.596 0 40 FHAB CC(C)CCn1c(N)c(C(=O)NC2CCCC2)c2nc3ccccc3nc21 2249575 LCQHWKDWIBQCQC-UHFFFAOYSA-N 365.481 3.885 0 40 FHAB C[C@H]1CCc2sc3nc(NN)n(-c4ccc(Cl)cc4)c(=O)c3c2C1 2387613 FQCBZNIMYXLUTP-VIFPVBQESA-N 360.870 3.511 0 40 FHAB COc1ccc(NC(=O)[C@@H](C)Sc2nc(CC3CCCC3)n[nH]2)cc1 11886300 QUZWYKGUTIHLGS-GFCCVEGCSA-N 360.483 3.665 0 40 FHAB Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)no1 46275854 HEZYLRUYFYSNFH-CQSZACIVSA-N 368.220 3.533 0 40 FHAB O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1cccc2ccccc12 2628195 QTHTVQOADGYWGJ-UHFFFAOYSA-N 361.426 3.807 0 40 FHAB CCN(C[C@H]1CCCO1)C(=O)c1cccc(NC(=O)c2cccs2)c1 48308712 GSINTHOHMDDRSG-MRXNPFEDSA-N 358.463 3.642 0 40 FHAB CCN(CC)[C@H](CNC(=O)Nc1cccc(N2CCCCC2=O)c1)C(C)C 48355775 GSMHZOQAUHPGEI-LJQANCHMSA-N 374.529 3.691 0 40 FHAB CC(=O)Nc1ccc(N[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1 48375025 NBQBBNLPBQGOIX-JKSUJKDBSA-N 353.466 3.583 0 40 FHAB CC(C)(C)c1cc(NC(=O)C2CCN(C(=O)C3CC3)CC2)n(C(C)(C)C)n1 48355429 USVLVDLYGIACAP-UHFFFAOYSA-N 374.529 3.523 0 40 FHAB Cc1ccc(CNC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)cc1 408707255 LWFVXGZZXCGHPI-UHFFFAOYSA-N 372.468 3.560 0 40 FHAB COc1ccc(NC(=O)CNc2cccc(C(F)(F)F)c2)cc1OC 3427256 ZXTDMXXKARWLOU-UHFFFAOYSA-N 354.328 3.773 0 40 FHAB CCOc1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1OCC 3662949 MLWJEKPHZJBWMR-VBKFSLOCSA-N 374.506 3.874 0 40 FHAB CC(C)Oc1ccc(N2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C)CC2=O)cc1 408708570 QNPWUQHJBQGSHD-MDZRGWNJSA-N 358.482 3.522 0 40 FHAB CCOc1ccc(C(=O)Nc2cc(C)nn2-c2nc3ccccc3[nH]2)cc1 6160273 YXSVVWXHFAYIEM-UHFFFAOYSA-N 361.405 3.708 0 40 FHAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccs3)C2=O)c1 4470698 CHFCAAIWOSBOKJ-NTEUORMPSA-N 358.444 3.732 0 40 FHAB O=C1COc2ccc(C(=O)N3CCC(CCc4ccccc4)CC3)cc2N1 14084986 FXXNAHAGGJXVKN-UHFFFAOYSA-N 364.445 3.503 0 40 FHAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1cnccn1 65592252 JOIMUXVQKCCIPF-OAHLLOKOSA-N 360.417 3.562 0 40 FHAB Cc1ccc(OCc2cccc(-c3nc4c5cn[nH]c5ncn4n3)c2)c(C)c1 6413003 BPUMUDCSHMEUGL-UHFFFAOYSA-N 370.416 3.863 0 40 FHAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2ccco2)cc1 14119695 FLKSQHYQFKXLOX-UHFFFAOYSA-N 356.451 3.558 0 40 FHAB CC(=O)Nc1ccccc1C(=O)OCc1ccc(C(=O)OC(C)C)cc1 4610478 WWDSMXPPWVRVLE-UHFFFAOYSA-N 355.390 3.567 0 40 FHAB CC[C@H](NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1)c1ccc(C)cc1 29201539 PYVHYMDIHDZJQW-KRWDZBQOSA-N 360.479 3.556 0 40 FHAB COc1ccc(CC(=O)N[C@@H](C)c2cc3ccccc3o2)c(OC)c1OC 7116509 SKBUTOYFWNZOOE-ZDUSSCGKSA-N 369.417 3.879 0 40 FHAB COC(=O)C1CCN(Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)CC1 7390999 GSDOLGUNTXIXFU-UHFFFAOYSA-N 357.450 3.610 0 40 FHAB CCOc1ccc2nc(NC(=O)c3cccc(NC(C)=O)c3)sc2c1 7768510 RSPHOPBRGSLXIF-UHFFFAOYSA-N 355.419 3.906 0 40 FHAB CC[C@H](OC(=O)c1oc2ccc(F)cc2c1C)C(=O)Nc1cc(C)on1 16122582 PPPDQIKXUYGVRA-ZDUSSCGKSA-N 360.341 3.751 0 40 FHAB Cc1cccc(C(=O)Nc2ccccc2C(=O)OCc2cc(C)on2)c1 7834870 VUNRMWHZVUONNL-UHFFFAOYSA-N 350.374 3.901 0 40 FHAB O=C(N[C@@H]1CCc2ccccc21)c1ccccc1I 16471676 MDBKEHUZCGMKKW-OAHLLOKOSA-N 363.198 3.709 0 40 FHAB CCN(CC)C(=O)c1cccc(NC(=O)c2cncn2-c2ccccc2)c1 8164212 IUHZRILTZCTBKK-UHFFFAOYSA-N 362.433 3.607 0 40 FHAB COc1cc(NC(=O)[C@@H](C)Sc2ccc(NC(C)=O)cc2)cc(OC)c1 17076629 LSKPBSKBBHHDNL-GFCCVEGCSA-N 374.462 3.782 0 40 FHAB CCCCOc1cc(C)c(Cl)cc1S(=O)(=O)n1nc(C)cc1C 19943786 HEKUOWOFJNNXKE-UHFFFAOYSA-N 356.875 3.878 0 40 FHAB COc1ccc(Cc2nnc(Nc3cc(C)cc(C)c3)nc2O)cc1OC 8741169 CIOGHRQAPIDBGS-UHFFFAOYSA-N 366.421 3.546 0 40 FHAB c1csc(CN2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 306123052 ADMHQNACDXMBAO-KRWDZBQOSA-N 361.474 3.842 0 40 FHAB COc1cc(Cl)ccc1CNC(=O)c1ccc(-c2ccccc2)[nH]c1=O 83923366 LTZVXHWCESSXHZ-UHFFFAOYSA-N 368.820 3.634 0 40 FHAB COC(=O)c1ccc(F)c(NC(=O)N[C@@H](C2CCCC2)C(F)(F)F)c1 95982843 XQYLWTPHARBSLD-ZDUSSCGKSA-N 362.323 3.855 0 40 FHAB CN(C(=O)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(Cl)cn1 95961192 HHRCXMPHDKIVCZ-OCCSQVGLSA-N 367.877 3.781 0 40 FHAB COc1cc(C2=NN(C(C)=O)[C@@H](c3ccc(C)cc3)C2)cc(OC)c1OC 95946112 LQXORVMLKFRHAH-GOSISDBHSA-N 368.433 3.718 0 40 FHAB CCn1cc(C(=O)N[C@H](C)c2ccc(F)cc2)c(=O)c2cc(OC)ccc21 22606051 OMMABZVJCWGTRN-CYBMUJFWSA-N 368.408 3.660 0 40 FHAB COc1ccc(C)cc1CCNC(=O)c1cnc(C)c(Cl)c1Cl 89616507 TVJJOZPIJYASMC-UHFFFAOYSA-N 353.249 3.986 0 40 FHAB c1cc2c(c(NCc3nc(-c4ccoc4)no3)c1)CN(c1nccs1)C2 89800240 MZZQGHGUAKYTHQ-UHFFFAOYSA-N 365.418 3.918 0 40 FHAB Cc1cnc2c(S(=O)(=O)Oc3cccc4cccnc34)cccc2c1 29219966 AGPHRHWPTYBUIK-UHFFFAOYSA-N 350.399 3.859 0 40 FHAB COc1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Cl 409244478 DFDUPALBCYURMW-MHWRWJLKSA-N 356.809 3.750 0 40 FHAB C[C@H](C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1)n1cccn1 31612840 LCVSLMCXOIRDTD-CYBMUJFWSA-N 368.824 3.989 0 40 FHAB O=S(=O)(c1ccc(-c2ncc(-c3ccccc3)o2)cc1)N1CCCC1 32609536 QVWOHBRSTBHPOJ-UHFFFAOYSA-N 354.431 3.793 0 40 FHAB O=C(c1ccccn1)N1CCC[C@H](c2n[nH]cc2-c2cccc(F)c2)C1 72380315 RLBIFGJNPUHBEO-HNNXBMFYSA-N 350.397 3.631 0 40 FHAB O=C(Cc1noc(COc2ccc(Cl)cc2)n1)Nc1ccccc1F 34791724 NJIXWAGFVFBHQH-UHFFFAOYSA-N 361.760 3.622 0 40 FHAB O=C(Nc1ccccc1F)c1cccc(S(=O)(=O)Nc2ccccc2)c1 47156154 ZPJOROBGNSIZEK-UHFFFAOYSA-N 370.405 3.879 0 40 FHAB Cc1ccccc1CN1CCC(C(=O)NCCSC2CCCC2)CC1 223713059 WSLZYIZJQDTNHG-UHFFFAOYSA-N 360.567 3.999 0 40 FHAB CC[C@@H](NC(=O)Cc1ccc(C)cc1C)c1ccc(S(C)(=O)=O)cc1 223528719 LMGTYJOUJZRWOU-LJQANCHMSA-N 359.491 3.517 0 40 FHAB O=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1cccc2ccccc12 75156972 WNVKXXDFAJOOLF-UHFFFAOYSA-N 362.429 3.715 0 40 FHAB CCOc1ccc(-c2noc(CNC(=O)c3cc(C)ccc3C)n2)cc1 225877187 XWGPZNJVLJGTQI-UHFFFAOYSA-N 351.406 3.682 0 40 FHAB Cc1ccc(OC[C@H](C)NC(=O)COc2cccc3c2CCCC3)cc1 223281560 XKFWRXZSMSSDIR-KRWDZBQOSA-N 353.462 3.836 0 40 FHAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc2nc(C)c(C)nc2c1 44736984 LZUWMKWYHKSCDX-UHFFFAOYSA-N 374.444 3.700 0 40 FHAB COc1ccc(CNC(=S)Nc2ccc(N3CCCC[C@@H]3C)nc2)cc1 223926797 GYFOESZUASZIAX-HNNXBMFYSA-N 370.522 3.956 0 40 FHAB COC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(OC)cc2)c1 225463872 YSHYJMOKDPESOK-ZDUSSCGKSA-N 358.463 3.838 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1C 224286685 LMLPEYAJOLGGID-UHFFFAOYSA-N 373.409 3.826 0 40 FHAB COCCn1c(C(=O)NCc2cccs2)cc2c1c1ccccc1n2C 96037224 RRMKJSMWRZEYNA-UHFFFAOYSA-N 367.474 3.771 0 40 FHAB c1cc(COC[C@]23CCCO[C@@H]2CCN(Cc2ccsc2)C3)ccn1 96040175 ZUGYZQHBLMXGKS-WOJBJXKFSA-N 358.507 3.731 0 40 FHAB CCCCN(C)S(=O)(=O)N1CCCC[C@H]1c1nc2ccccc2s1 245224917 HXTNPFUGSUPOKN-HNNXBMFYSA-N 367.540 3.800 0 40 FHAB Cc1ccc(C2CCN(c3ccc4nnc(-c5ccccc5)n4n3)CC2)cn1 542121684 WOENJRLYAKGNCP-UHFFFAOYSA-N 370.460 3.879 0 40 FHAB O=C(N[C@H]1CCc2ccccc2NC1=O)c1cccc(Oc2ccccn2)c1 1611426470 VFXGXHCQJIQANU-IBGZPJMESA-N 373.412 3.557 0 40 FHAB O=C(NC(C1CC1)C1CC1)c1cc(-c2ccc(Br)cc2)[nH]n1 649219898 WYGDEFVTGCZNTL-UHFFFAOYSA-N 360.255 3.758 0 40 FHAB COc1cc(NS(=O)(=O)c2ccc(C)s2)cc(C(F)(F)F)c1 1260684038 RJOLAZRJFDHVIX-UHFFFAOYSA-N 351.371 3.885 0 40 FHAB C[C@H](O)C1CCN([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 111288134 AOKHSQNQUVKHPL-MGPUTAFESA-N 356.441 3.598 0 40 FHAB O=C(c1cc2ccccc2s1)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575605368 KHFRBHPDMKPNPD-CYBMUJFWSA-N 359.838 3.638 0 40 FHAB COc1cc(OC)c2c(c1)N(C(=O)Cc1cccc3cnccc13)CCC2 585124094 UPZKUODTLMLAAV-UHFFFAOYSA-N 362.429 3.774 0 40 FHAB CO[C@H]1CCN(Cc2ccc(C(=O)O)cc2)C[C@H]1Cc1cccc(F)c1 585277900 XLYXZQGIGOGCQR-QUCCMNQESA-N 357.425 3.604 0 40 FHAB COc1ccc([C@H](CC(C)=O)c2c(O)c3ccccc3oc2=O)cc1OC 5601955 AAMIVUBVHCMYOS-HNNXBMFYSA-N 368.385 3.627 0 40 FHAB Fc1ccc(-c2noc(CSc3ncn(-c4ccccc4)n3)n2)cc1 11476870 BBFDQFVSYOQALX-UHFFFAOYSA-N 353.382 3.749 0 40 FHAB COC[C@@H](C)NC(=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 12983653 QFIXUUZNUKXOPI-CRRKTRLDSA-N 361.388 3.980 0 40 FHAB COc1ccc(CN(Cc2ccccc2OC)C[C@@H]2CCCO2)cc1O 13995128 CNYLXBUZVNRDNW-SFHVURJKSA-N 357.450 3.591 0 40 FHAB Cc1ccc(-c2nc(CNC(=O)COc3ccc(F)cc3)cs2)cc1 15832487 DROMXXYITNFVBF-UHFFFAOYSA-N 356.422 3.953 0 40 FHAB O=C(COc1ccc(F)cc1F)N1CCC[C@@H](c2cc3ncccc3[nH]2)C1 19345287 OSDGOTITXNQFPY-CYBMUJFWSA-N 371.387 3.626 0 40 FHAB CCc1sc(NC(=O)CCn2ccnc2C)nc1-c1ccc(OC)cc1 19521613 ZDWVPENNHBXBPE-UHFFFAOYSA-N 370.478 3.915 0 40 FHAB CN1CCCC[C@H]1c1ncc2c(n1)CCN(Cc1ccccc1Cl)C2 19589034 FXPOWPBNRXVEFZ-IBGZPJMESA-N 356.901 3.845 0 40 FHAB COc1ccc(-c2nc(C(=O)Nc3ccc4ncn(C)c4c3)cs2)cc1 19717304 XGYLWBIBXPNLRU-UHFFFAOYSA-N 364.430 3.958 0 40 FHAB O=C(NCC[C@@H]1CCOC1)N1Cc2ccccc2C[C@H]1c1ccccc1 544332207 KGIZJBIVVRYKMY-UTKZUKDTSA-N 350.462 3.922 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1C 5979358 ADQCKQKOIRBEHC-BUBBNXEVSA-N 358.482 3.753 0 40 FHAB CSc1ncccc1C(=O)NC[C@@H](O)c1cc(-c2ccco2)cs1 1888941634 NYORWYAWDCPJME-CYBMUJFWSA-N 360.460 3.588 0 40 FHAB Cn1cc(-c2ccc(CCNC(=O)c3c(F)cccc3Cl)s2)cn1 1889201640 YAFPAUAMPJPVAI-UHFFFAOYSA-N 363.845 3.914 0 40 FHAB COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)c1c(C)cc(C)cc1O 861710 USXAZAGDYJDOHZ-MRXNPFEDSA-N 356.374 3.511 0 40 FHAB O=C(CCCCCNc1nc(=S)[nH]c2ccccc12)NC[C@H]1CCCO1 3912163 NJVOOBORJHAZHH-CQSZACIVSA-N 374.510 3.560 0 40 FHAB O=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)Nc1ccc(F)cc1 4315245 UMIRPXAUYDNQCS-UHFFFAOYSA-N 352.413 3.520 0 40 FHAB O=C(CSc1ccc(-c2ccncc2)nn1)Nc1ccc(Cl)cc1 4392114 RVGKUFGWHDDRJS-UHFFFAOYSA-N 356.838 3.923 0 40 FHAB CCn1nc(C(=O)Nc2cc(C)nn2-c2nc3ccccc3s2)cc1C 16851057 YRUCDFIDTWXRTI-UHFFFAOYSA-N 366.450 3.568 0 40 FHAB COC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(Br)cc2)s1 6468946 QWTZCRLKHKAPHE-SECBINFHSA-N 368.252 3.788 0 40 FHAB CC(C)c1ccc(CS(=O)(=O)CCC(=O)Nc2ccccc2F)cc1 40070014 PXAAUJMIDJBXMC-UHFFFAOYSA-N 363.454 3.893 0 40 FHAB COc1ccc(S[C@H](C)C(=O)NC[C@H](c2ccsc2)N(C)C)cc1 40153895 JFCVWSWUOJCBTF-CXAGYDPISA-N 364.536 3.656 0 40 FHAB O=C(C[C@H]1CC[C@H](C(=O)O)CC1)c1cccc(I)c1 100449830 WZTJTPOZAYVYAV-PHIMTYICSA-N 372.202 3.755 0 40 FHAB CN(C(=O)NCc1cccc(OCc2ccccn2)c1)C(C1CC1)C1CC1 51272842 GXQKONABHLYFAL-UHFFFAOYSA-N 365.477 3.991 0 40 FHAB COC(=O)CC1CCN(C(=O)CCc2cn(C(C)C)c3ccccc23)CC1 79501159 NIANFUOONWVNLJ-UHFFFAOYSA-N 370.493 3.957 0 40 FHAB Cc1c(-c2ccnc3cc(C(=O)Nc4ccccc4C(C)C)nn23)cnn1C 2795330 RDLBKDMFPDDQFS-UHFFFAOYSA-N 374.448 3.814 0 40 FHAB CC(=O)Nc1ccc(C2=NN=C(N[C@@H]3CCC[C@@H](C)[C@@H]3C)SC2)cc1 104016716 FZNMPBGZFXVHTB-IIYDPXPESA-N 358.511 3.866 0 40 FHAB CCOc1c(Br)cc(C(=O)Nc2ccc(O)cc2)cc1OC 6155226 TXYWZVCQCVEJCO-UHFFFAOYSA-N 366.211 3.814 0 40 FHAB COc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(S)[nH]2)cc1 940943 WBCSVIKKBJCRKO-UHFFFAOYSA-N 360.460 3.515 0 40 FHAB CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N[C@H](C)c1ccccc1 6649753 ZNQROTHUPNXRPE-VQIMIIECSA-N 370.518 3.724 0 40 FHAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(C)cc2)cc1 6650549 BUDQKCOWZYBOSE-UHFFFAOYSA-N 369.417 3.747 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1 7881779 ALIHDSNHXADKPP-OAHLLOKOSA-N 370.836 3.843 0 40 FHAB COc1ccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1Cl 3013602 WADPXJRCFXCUPP-OAHLLOKOSA-N 362.838 3.790 0 40 FHAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1cccc(C(F)(F)F)c1 8519474 KGXLSLMRSOADOJ-LJQANCHMSA-N 374.362 3.989 0 40 FHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@H](c2nnc3n2CCCCC3)C1 105676173 QBDMJGWZBVOBEO-XSLAGTTESA-N 356.514 3.537 0 40 FHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CSc1ccc(F)cc1 24395020 WAOWGJZEJCSTAP-UHFFFAOYSA-N 369.465 3.821 0 40 FHAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnc2ccccn2c1=O 25167671 XICQZYRJJPFSNZ-UHFFFAOYSA-N 357.369 3.739 0 40 FHAB C[C@H](NCc1ccccc1Br)c1ccc(-n2cncn2)cc1 25364508 AWIUYBYNAZFIGB-ZDUSSCGKSA-N 357.255 3.881 0 40 FHAB Cc1cc(Sc2ccccc2)ccc1NC(=O)CCN1C(=O)CCC1=O 56473744 YTPDKDUQQGPWHZ-UHFFFAOYSA-N 368.458 3.624 0 40 FHAB CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2F)cc1 25870017 KIKYOLLYMFIIMY-UHFFFAOYSA-N 351.399 3.578 0 40 FHAB C[C@H](NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(-n2cncn2)cc1 44342820 DXYSCNWHIHWYDT-JKSUJKDBSA-N 366.490 3.766 0 40 FHAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1cc(-c2ccco2)[nH]n1 84432854 CKRNFPXBZFPHJH-UHFFFAOYSA-N 354.406 3.612 0 40 FHAB O=C(O)c1ccccc1[C@@H]1c2sc(=O)[nH]c2S[C@@H]2[C@@H]3CC[C@H](C3)[C@H]12 100972055 CVZSTKXZJGBVGW-UYYBAZKBSA-N 359.472 3.787 0 40 FHAB CCOC(=O)[C@H]1C[C@@H]2CC[C@]1(C)C[C@]21NC(=O)c2cc(Cl)ccc2N1 100119066 OZSYVNDSCSKJEF-DCTBYPSYSA-N 362.857 3.581 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 58202043 NMQWSQZBUNZMOH-CQSZACIVSA-N 369.415 3.631 0 40 FHAB COc1ccc(-c2nnc3sc(-c4ccccc4OC)nn23)cc1OC 2195210 HXKGAKSEOXLVEI-UHFFFAOYSA-N 368.418 3.546 0 40 FHAB Cc1cc(Br)c(NC(=O)c2ccco2)c(Br)c1N 20134725 DVDPNDZEMVQDDN-UHFFFAOYSA-N 374.032 3.948 0 40 FHAB COc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1OC 10544496 RTPGHAUPUQVZNP-OAHLLOKOSA-N 365.433 3.600 0 40 FHAB COC(=O)c1ccc(CN(C)Cn2nc(C(C)C)n(C3CC3)c2=S)cc1 95349865 PXUWNUCUYJPFJM-UHFFFAOYSA-N 374.510 3.748 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cnccc1N(C)C 36390936 CVMIETMZFMEONE-SNVBAGLBSA-N 354.237 3.860 0 40 FHAB COP(=O)(OC)c1nc(Cc2ccccc2)oc1NCc1ccccc1 2311844 SDEIERUXQNSYKX-UHFFFAOYSA-N 372.361 3.989 0 40 FHAB CC(C)n1ncc2cc(C(=O)NCc3cccc(C(F)(F)F)c3)cnc21 12882226 NTXSOMLFLUZNMP-UHFFFAOYSA-N 362.355 3.961 0 40 FHAB CC[C@@H](C)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 409380296 BLHCBNIWYHCYFL-BFUOFWGJSA-N 358.463 3.582 0 40 FHAB COc1cccc([C@@H](CNC(=O)Nc2ccccc2OC)N2CCCC2)c1 12977118 XIXQGWMBVMBGDA-LJQANCHMSA-N 369.465 3.662 0 40 FHAB CCc1ccc([C@H](NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)C(C)C)cc1 12972740 DIUJCRIUROVJGC-HQRMLTQVSA-N 360.523 3.516 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)COc1ccc(C)c2c1C(=O)C[C@H]2C 12917668 ADDAXVYJROAIJB-HUUCEWRRSA-N 367.445 3.950 0 40 FHAB CC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 27338453 HIENSDCIWSZLSC-HNNXBMFYSA-N 360.479 3.633 0 40 FHAB C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OP(=O)(O)O 4025811 NWJXKHVJFGAOMY-SGYMCOKNSA-N 368.410 3.996 0 40 FHAB biogenic CCn1c(SCc2cn3ccccc3n2)nc2sc(C)cc2c1=O 13640710 RAQKVHHSHQONRC-UHFFFAOYSA-N 356.476 3.726 0 40 FHAB CC(C)N(C(=O)COc1ccccc1C(=O)Nc1ccccc1)C(C)C 6051650 FJIUTEDNPURTHQ-UHFFFAOYSA-N 354.450 3.963 0 40 FHAB O=C(CNc1ccc2c(c1)OC(F)(F)O2)N1CCC[C@@H]1c1cccs1 39992481 ZMGOIZXBAPYUAS-GFCCVEGCSA-N 366.389 3.845 0 40 FHAB CC(C)c1nc(CC(=O)N[C@H](CC(=O)O)c2ccccc2Cl)cs1 65593629 MUXGAJCMACPNBN-CQSZACIVSA-N 366.870 3.795 0 40 FHAB COc1cccc(C(=O)N2CCC(Nc3ccc(F)cc3)CC2)c1OC 65529965 CXXRDVZEOSEUTJ-UHFFFAOYSA-N 358.413 3.560 0 40 FHAB CC1(C)SC[C@@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)N1C=O 5303418 WEGSMPARZOTVNB-IBGZPJMESA-N 368.502 3.525 0 40 FHAB CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1C 9227789 LVYKEMJQLTXVKH-UHFFFAOYSA-N 366.870 3.589 0 40 FHAB O=C(COC(=O)c1cnc(Cl)c(Cl)c1)NCc1ccccc1Cl 6643322 SQRWDQCLTNPQFE-UHFFFAOYSA-N 373.623 3.515 0 40 FHAB Cc1cc(OCC(=O)NC[C@@H](c2ccco2)N2CCCC2)ccc1Cl 5704745 SJNMSJJWXVYJAQ-KRWDZBQOSA-N 362.857 3.574 0 40 FHAB O=c1c2ccccc2ncn1Cc1csc(COc2ccc(F)cc2)n1 14902232 VGFWKSOAGIMKEG-UHFFFAOYSA-N 367.405 3.619 0 40 FHAB O=C(N[C@H]1CCCc2c1[nH]c1ccc(F)cc21)c1n[nH]c2c1CCCC2 96117094 BVTHUYFSZICJQW-KRWDZBQOSA-N 352.413 3.716 0 40 FHAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccc(O)cc2)S1 96117472 OINHZXXIAXFGON-XJKSGUPXSA-N 373.478 3.898 0 40 FHAB COc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1O 28975202 PJNZGYSFMZPXRG-DHDCSXOGSA-N 361.419 3.946 0 40 FHAB Cc1ccccc1-n1c(C)nnc1S[C@H](C(=O)N(C)C)c1ccccc1 6980789 TWUWUAFHURNTBT-SFHVURJKSA-N 366.490 3.806 0 40 FHAB Cn1c(SCC(=O)C23CC4CC(CC(C4)C2)C3)nnc1C(F)(F)F 7197715 JMOKFIHMYGMXKT-UHFFFAOYSA-N 359.417 3.712 0 40 FHAB Cc1ccc(C(=O)CCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 15564691 CWGRCZDDYWZWER-UHFFFAOYSA-N 364.489 3.739 0 40 FHAB CC[C@@H](CNC(=O)[C@@H](C)Sc1nnc2n1CCCCC2)c1ccccc1 7313611 KWKVXGZBQRLWCE-CVEARBPZSA-N 372.538 3.795 0 40 FHAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc(OC(F)F)c(Cl)c1 15869979 IKQIVWJPIGEMAS-UHFFFAOYSA-N 369.677 3.795 0 40 FHAB COc1ccc(Cl)cc1NC(=O)COC(=O)Cc1ccccc1Cl 7535866 XHSCKTAYOHFBDD-UHFFFAOYSA-N 368.216 3.726 0 40 FHAB O=C(NCc1ccccc1)c1nnc(/C(Cl)=C/c2ccc(O)cc2)s1 96297743 DAGFDMMZEISTPU-GDNBJRDFSA-N 371.849 3.911 0 40 FHAB O=C(Cn1nnnc1-c1ccc(Cl)cc1)Nc1ccc2ccccc2c1 8297397 HRUVDZWGUMFXQB-UHFFFAOYSA-N 363.808 3.785 0 40 FHAB COCc1c(C(=O)Nc2ccccc2C(=O)NC2CC2)oc2ccccc12 8269333 HPESXDHIFGSDNJ-UHFFFAOYSA-N 364.401 3.724 0 40 FHAB C[C@@H]1CCC[C@@H]2C1=NN(C(=O)c1ccccc1Cl)[C@]2(O)C(F)(F)F 409174859 WGRJPBDCBYVECI-XDMRBOTDSA-N 360.763 3.839 0 40 FHAB O=C(Oc1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1)c1cccs1 18241129 PPBITTWOOXDFPH-GJZGRUSLSA-N 355.415 3.647 0 40 FHAB Cc1cc(NC(=O)[C@H](OC(=O)c2c(F)cccc2F)c2ccccc2)no1 8727301 IHZXXKRTWSPIHR-QGZVFWFLSA-N 372.327 3.798 0 40 FHAB C[C@@H](NC(=O)CC1CN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 72306894 ZLJUCGLTIQKPIE-GFCCVEGCSA-N 352.862 3.774 0 40 FHAB O=C(Nc1cccc(Cn2cncn2)c1)c1ccccc1OC1CCCC1 95956669 GMXOBINUQLYEBZ-UHFFFAOYSA-N 362.433 3.900 0 40 FHAB CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc3ccccc3c2)C1 95998622 HSFIEIPYONAEIC-SFHVURJKSA-N 362.433 3.541 0 40 FHAB O=C1C[C@@H](C(O)(c2ccccc2)c2ccccc2)CN1Cc1ccccc1 26522506 MLNFLZGBAGZYSJ-JOCHJYFZSA-N 357.453 3.971 0 40 FHAB C[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1)c1ccc(F)cc1 20040313 JTJIRXWCKZAIIF-LLVKDONJSA-N 372.259 3.769 0 40 FHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1 22513030 DIBFEYJBEAVFAJ-FUHIMQAGSA-N 360.542 3.945 0 40 FHAB C[C@@H]1CCC2=NN(C(=O)CCCc3ccccc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409056814 OCBAPACYDQHWTD-SIIHOXLZSA-N 368.399 3.895 0 40 FHAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OC)c(OC)c2OC)C1=O 409008739 DHQQZUDGHVOJNQ-YWEFTTLKSA-N 351.424 3.547 0 40 FHAB CCCN1C(=O)/C(=C\c2ccccc2OCC(=O)OCC)c2ccccc21 409119848 REKRTPNQHRLTMO-JXAWBTAJSA-N 365.429 3.926 0 40 FHAB CCc1c(C(=O)N2C[C@@H](C)OC[C@H]2c2ccccc2)[nH]c(C)c1C(C)=O 173732007 PADVKEBOQFZANH-ACJLOTCBSA-N 354.450 3.690 0 40 FHAB COCC1(c2noc(CCc3nnc(C4CCCC4)o3)n2)CCCCC1 514696121 MIRMUXXZYJNFCK-UHFFFAOYSA-N 360.458 3.744 0 40 FHAB CCN(Cc1ccccc1F)C(=O)[C@H]1CC(=O)N(c2ccc(C)c(F)c2)C1 1524838818 MWMMBFPYWVEYBN-INIZCTEOSA-N 372.415 3.675 0 40 FHAB CC1(C)O[C@@H]2C[C@]3(C)C(=O)CC[C@H]3[C@@H]3CC[C@H]4C[C@H](O)C[C@@H](O1)[C@]4(C)[C@H]32 123373678 YOMKZERBLMKYST-URWDIHEOSA-N 362.510 3.699 0 40 FHAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@H](C(=O)c2cccs2)C1 72324262 ZCAIWIQGVKUDRX-ZDUSSCGKSA-N 359.495 3.514 0 40 FHAB CC(C)C(=O)Nc1cccc(OCc2cc(=O)n3cc(Cl)ccc3n2)c1 33268643 JOPDGHBBAHMNMU-UHFFFAOYSA-N 371.824 3.521 0 40 FHAB Nc1cc(-c2c[nH]nc2[C@H]2CCCCN2C(=O)Nc2ccccc2)ccn1 72360783 FTKDGZPVVFKSGT-QGZVFWFLSA-N 362.437 3.813 0 40 FHAB O=C(c1ccc(Cn2ccccc2=O)o1)N1CCC[C@@H]1c1ccsc1 46911565 BERPGIDBXYHMFO-MRXNPFEDSA-N 354.431 3.528 0 40 FHAB COc1ccccc1-c1noc(-c2nnn(-c3cccc(F)c3C)c2C)n1 49001932 JCYIXDJNGOATAZ-UHFFFAOYSA-N 365.368 3.749 0 40 FHAB COC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccccc2Cl)c1 224140546 UQOIBSCWDXHCQF-CYBMUJFWSA-N 363.841 3.692 0 40 FHAB CC[C@H]1CCCCN1CCCNC(=O)COc1cccc2c1CCCC2 225875042 SVYJBZXBEDSVSS-IBGZPJMESA-N 358.526 3.715 0 40 FHAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1nnc(SC(C)C)s1 224476153 IWQZPAKDVPPGBW-NSHDSACASA-N 367.496 3.843 0 40 FHAB CCOC(=O)/C=C/c1cc(Br)c(OC)c(Br)c1 226763896 CRBRLRDNXJIBAS-SNAWJCMRSA-N 364.033 3.797 0 40 FHAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1CN1CCCC1 40090882 CKZZJOBNEPNJOS-CSKARUKUSA-N 350.418 3.663 0 40 FHAB COc1ccccc1NC(=O)CCc1nc(-c2cccc(Cl)c2)no1 225808640 OXNCZQRXWZWXBO-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB CCCCC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 40107683 JOVFXTNURQPEHB-CZUORRHYSA-N 356.869 3.547 0 40 FHAB CC(C)CNC(=S)Nc1nc(Cl)cc(N2C[C@H](C)C[C@@H](C)C2)n1 225893424 GFSZMCPSYLTQTO-VXGBXAGGSA-N 355.939 3.555 0 40 FHAB CCc1cccc(C)c1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 44886134 IKBTVUWWSAJIHW-UHFFFAOYSA-N 366.870 3.835 0 40 FHAB CC[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc(S(C)(=O)=O)cc1 225633832 VMHMYVPPFRRJAL-FQEVSTJZSA-N 371.502 3.850 0 40 FHAB CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@H](OC=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 90676735 LIQRRNOQIKMVTQ-CHKVQHFGSA-N 360.494 3.811 0 40 FHAB C[C@]12C[C@H]3O[C@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](N1CCCC1)[C@@H]2O 90398600 OPYVYACKKDTREB-WYBQPQOXSA-N 359.554 3.842 0 40 FHAB O=C(N1CCCC1)N1CC2(CCN(c3nccs3)CC2)c2ccccc21 96078867 MOQZWRXISDIFOS-UHFFFAOYSA-N 368.506 3.717 0 40 FHAB COc1ccc(C(=O)Nc2cc(C)c3c(c2)C(C)(C)C(=O)N3C)cc1OC 96182160 QPHZJBYBQOHLCS-UHFFFAOYSA-N 368.433 3.519 0 40 FHAB O=S(=O)(N[C@H]1CCC[C@@H]1Cc1ccccc1)c1cccc2scnc12 1654256693 HXHOYVDRMGYOPI-CVEARBPZSA-N 372.515 3.986 0 40 FHAB Cc1cccc(C(=O)N[C@]2(C)CCN(C(=O)c3cccc(C)c3C)C2)c1C 647730263 NTCNZNGRYZZXHX-HSZRJFAPSA-N 364.489 3.955 0 40 FHAB C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CC[C@H]2CC[C@H]1OC2 1134796393 GCSLRLMRSDDUEU-ZFZWDLNGSA-N 355.400 3.958 0 40 FHAB O=C(O)c1ccc(CN2CCC(c3ccc4cccnc4n3)CC2)c(F)c1 656191173 DRRDIVMZNDXUJF-UHFFFAOYSA-N 365.408 3.847 0 40 FHAB Cc1ccc2c(c1)N(C(=O)c1ccccc1OCc1noc(C)n1)CCC2 110395361 ULWVFKZCHXVALP-UHFFFAOYSA-N 363.417 3.858 0 40 FHAB NC(=O)/C=C\c1cc(Br)ccc1OCc1ccc(F)cc1 1615892581 ZBKZDZQONHZTPR-BAQGIRSFSA-N 350.187 3.666 0 40 FHAB Cc1ccc(OC[C@]2(O)CCCN(Cc3ccc4nc[nH]c4c3)CC2)cc1 585271405 YCRSAZOGAKLBMJ-QFIPXVFZSA-N 365.477 3.667 0 40 FHAB CC1(C(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)CCCCC1 585111542 UYOCKXLVHZGPNF-LJQANCHMSA-N 367.493 3.632 0 40 FHAB Cc1sc2nc([C@@H](C)N(C)CCc3ccc(F)cc3)[nH]c(=O)c2c1C 55024066 FBVWQHLBAYSDOY-GFCCVEGCSA-N 359.470 3.976 0 40 FHAB CC(C)Cc1ccc([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 11659035 URHUJOLISYUNPE-HNNXBMFYSA-N 374.506 3.748 0 40 FHAB O=C(COc1ccc(Cl)cc1)NC[C@@H](c1ccsc1)N1CCCC1 13011472 CFBIRPMDVROAEV-KRWDZBQOSA-N 364.898 3.734 0 40 FHAB CCC[C@H](C)NC(=S)Nc1cc(S(=O)(=O)N(CC)CC)ccc1C 16182531 KRGNEFUWTVWOHZ-AWEZNQCLSA-N 371.572 3.501 0 40 FHAB C[C@H](NC(=O)C[C@@H](C)n1nnc2ccccc21)c1ccc2c(c1)CCCO2 19455404 GALRSZDQVQXDMR-CABCVRRESA-N 364.449 3.585 0 40 FHAB Cc1ccc(Cl)c(NC(=O)COC(=O)c2c(C)noc2C)c1Cl 3564902 AAIQDMWUOFTEHY-UHFFFAOYSA-N 357.193 3.702 0 40 FHAB Clc1ccccc1-c1nnc2sc(-c3ccc4c(c3)OCCO4)nn12 641676 WUVLOVQFYYQTAW-UHFFFAOYSA-N 370.821 3.944 0 40 FHAB O=C(CSc1ccc(-c2ccncc2)nn1)NCc1ccccc1Cl 4392120 FSUDWZKBKUONES-UHFFFAOYSA-N 370.865 3.601 0 40 FHAB CCS(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(C)sc3c2)c1 4585804 ZBTGXDBGHCWTHQ-UHFFFAOYSA-N 360.460 3.651 0 40 FHAB CCC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(C)s3)ccc21 12180375 HBAHGMGJRGQQFC-UHFFFAOYSA-N 364.492 3.547 0 40 FHAB O=C(COc1ncnc2sc3c(c12)CCCC3)Nc1ccc(F)cc1 3366295 GHEJUNUQGHRWES-UHFFFAOYSA-N 357.410 3.727 0 40 FHAB COc1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 21183443 PHGCNORCWAZIKR-KRWDZBQOSA-N 351.855 3.778 0 40 FHAB COc1ccc(C2=C[C@H](c3cccc4ccccc34)n3nnnc3N2)cc1 102255173 RSJYNPVFQKSWHV-HXUWFJFHSA-N 355.401 3.891 0 40 FHAB COc1ccccc1CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1 32895138 UMZHVOATNGIMFE-QGZVFWFLSA-N 355.434 3.619 0 40 FHAB C[C@@H](C1CC1)N(C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)C1CC1 32810338 LFWOMDAKBSNPQI-ZDUSSCGKSA-N 353.441 3.903 0 40 FHAB Cc1cc(N2CCN(CCCOc3ccc(F)cc3)CC2)nc(C(C)C)n1 52685363 AODVDQULPWVGJM-UHFFFAOYSA-N 372.488 3.639 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccs2)N1Cc1cccnc1 8846011 SVNKCPRSAHRYIZ-SFHVURJKSA-N 374.421 3.995 0 40 FHAB Cc1cc2cc3c(cc2nc1SCC(=O)N1CCC[C@H](C)C1)OCO3 930020 IQVUOIGZMXLNRN-LBPRGKRZSA-N 358.463 3.623 0 40 FHAB Cc1cc(C(=O)N2CCCCC[C@@H]2c2ccco2)ccc1N1CCNC1=O 76652025 WKIURNRBJBDUED-GOSISDBHSA-N 367.449 3.875 0 40 FHAB COc1ccc2nc(NC(=S)NC(=O)c3ccc(F)cc3)sc2c1 1413811 DYXFVSISIFBLQA-UHFFFAOYSA-N 361.423 3.571 0 40 FHAB Cc1oc2cc(OC(=O)N3CCOCC3)ccc2c(=O)c1-c1ccccc1 1447960 FTOOLYHONBQMCY-UHFFFAOYSA-N 365.385 3.599 0 40 FHAB biogenic Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(C)C)cc3C2=O)c1 797307 GTCIRDSKAPCSKH-UHFFFAOYSA-N 351.402 3.917 0 40 FHAB Cc1cccc(N2CCN(C(=O)c3ccc(Br)o3)CC2)c1C 995625 MTFWJKBKYYABIL-UHFFFAOYSA-N 363.255 3.621 0 40 FHAB Cc1cccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2)c1C 8412884 PPRCFUQFUXNNNR-UHFFFAOYSA-N 368.433 3.594 0 40 FHAB COCc1ccccc1C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 55833229 GHFHMJSHAINSRV-UHFFFAOYSA-N 366.461 3.892 0 40 FHAB O=C(CSc1nnc(Nc2ccccc2F)s1)N1CCCCC1 3234937 VFBRZHJJGOHRGG-UHFFFAOYSA-N 352.460 3.525 0 40 FHAB COc1ccc(-c2cc(C(=O)NCc3ccc(F)c(Cl)c3)n[nH]2)cc1 57477249 NVPUGLGLENKGPL-UHFFFAOYSA-N 359.788 3.808 0 40 FHAB O=C(NCc1ccccc1)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1 12655328 TWSUZVMOEXAHRY-QNGOZBTKSA-N 374.415 3.913 0 40 FHAB Cc1n[nH]c(C)c1CCc1cc(O)n2nc(-c3cccs3)c(C)c2n1 100775794 NSIUJDJOZCHKIT-UHFFFAOYSA-N 353.451 3.597 0 40 FHAB CCCCC[C@](C)(O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@H]1CCCCCCC(=O)O 27639791 OMNFCPCBKCERJP-OOZSCULOSA-N 368.514 3.865 0 40 FHAB COC(=O)[C@@H](Sc1nnc(NC2CC2)s1)c1ccccc1Cl 10214103 YSJRZWRVLXTFFZ-NSHDSACASA-N 355.872 3.772 0 40 FHAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc2c3c(cccc13)CC2 24662832 FUDGGCFISBIRRV-KRWDZBQOSA-N 359.425 3.850 0 40 FHAB COc1ccccc1[C@H](C)Nc1cc(C)nc2nc(C(F)(F)F)nn12 28069060 ODYAONPXAKDHAY-JTQLQIEISA-N 351.332 3.633 0 40 FHAB CN(C)c1ccc(NC(=O)COc2ccc(Cl)c3ccccc23)nc1 58406725 QYBLPQJWUCWRHC-UHFFFAOYSA-N 355.825 3.972 0 40 FHAB Cc1c(C(=O)NC[C@H](c2cccs2)N2CCOCC2)oc2ccccc12 28287952 WHQDPMVCYPDRCB-MRXNPFEDSA-N 370.474 3.606 0 40 FHAB Cn1c(SCc2cccs2)nnc(Nc2ccc(Cl)cc2)c1=O 28536924 OVJUZGNLVVOGSI-UHFFFAOYSA-N 364.883 3.926 0 40 FHAB COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc(N)nn32)cc1 2376725 RQUYZNNFYKVHEZ-HZPDHXFCSA-N 355.829 3.669 0 40 FHAB Cc1cccc(CCCNS(=O)(=O)Cc2c(F)cccc2Cl)c1 10110839 FIKRNQKAODXTOU-UHFFFAOYSA-N 355.862 3.840 0 40 FHAB CC(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)c(C)c2)c1 3329052 BESVFJAQDDXUCB-UHFFFAOYSA-N 368.252 3.761 0 40 FHAB CCCc1nc2oc3c(NCC(OC)OC)ncnc3c2c2c1CCCC2 2434471 DXMJAQRJAYGVEW-UHFFFAOYSA-N 370.453 3.633 0 40 FHAB NC(=O)[C@H](Sc1nnc(Nc2ccccc2F)s1)c1ccccc1 10428208 JWYFOUXLGKUWNP-CYBMUJFWSA-N 360.439 3.740 0 40 FHAB CC(=O)c1ccccc1NC(=O)COC(=O)c1cc(C)nc2ccccc12 3385561 TVSDYQZGLGDICQ-UHFFFAOYSA-N 362.385 3.541 0 40 FHAB Cc1ccc(C(=O)OCc2nc(-c3cccc(C(F)(F)F)c3)no2)cn1 29010716 AWJRYSYMUKHLMX-UHFFFAOYSA-N 363.295 3.816 0 40 FHAB O=C1CSc2ccc(C(=O)Nc3nc(-c4ccccc4)ns3)cc2N1 48345770 BTOMTTGNOBCYOJ-UHFFFAOYSA-N 368.443 3.502 0 40 FHAB CS(=O)(=O)c1cccc(NC(=O)c2occc2COc2ccccc2)c1 12829495 AKISYYQSNHCXRJ-UHFFFAOYSA-N 371.414 3.514 0 40 FHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc(-c2ccccc2)on1 11905229 LSOOXDRCTVHGOG-KRWDZBQOSA-N 351.406 3.502 0 40 FHAB COc1cc(NC(=O)Cc2nc(-c3ccccc3)oc2C)cc(OC)c1 12807819 FIUUXFZPWIYSMK-UHFFFAOYSA-N 352.390 3.848 0 40 FHAB COc1cc(CCC(=O)Nc2ccc(F)cc2F)cc(OC)c1OC 3561571 NCJUOMSTOGAXPH-UHFFFAOYSA-N 351.349 3.562 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1nc2c(s1)CCCC2 12979226 ASPXZLVTCAFVJO-KRWDZBQOSA-N 367.474 3.925 0 40 FHAB COc1ccccc1NC(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 12977087 KJZHKAMNLQZJJP-SFHVURJKSA-N 369.465 3.662 0 40 FHAB C=C1c2ccccc2C(=O)N1CCC(=O)N[C@@H]1CCc2c(Cl)cccc21 84544147 CQTTXCHHIHYALT-LJQANCHMSA-N 366.848 3.960 0 40 FHAB CC(C)(C)COc1nc(Nc2cccc(N)c2)ncc1Br 97673645 WDIYMNJOFSIGQD-UHFFFAOYSA-N 351.248 3.990 0 40 FHAB C[C@@H]1CCCCN1C(=O)c1ccc(Cn2cc(Br)cn2)cc1 27969833 FFZBJFOYQMXZOK-CYBMUJFWSA-N 362.271 3.709 0 40 FHAB CCOC(=O)c1[nH]c(C)c(C(=O)N(C)Cc2nc3ccccc3s2)c1C 23932208 ANUUINGOOZRQLC-UHFFFAOYSA-N 371.462 3.690 0 40 FHAB Cc1nnc(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)n1-c1ccccc1 6110448 MFYMSZVPBLGZLF-GRDNDAEWSA-N 358.511 3.609 0 40 FHAB O=C(OCc1ccc(F)cc1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 4318797 AHPKSROHFYVBGI-UHFFFAOYSA-N 366.392 3.619 0 40 FHAB O=C(Nc1ccc(Cl)cc1Cl)C1CCN(c2ncccn2)CC1 6253000 QYWKEKJKVORDDJ-UHFFFAOYSA-N 351.237 3.639 0 40 FHAB CC(=O)c1cccc(OCC(=O)N2CC=C(c3ccc(F)cc3)CC2)c1 13986035 HAQNCKUBRGFMCV-UHFFFAOYSA-N 353.393 3.723 0 40 FHAB COc1cc(CNC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)nc1 5241975 DLUUWTKMGYQGRU-INIZCTEOSA-N 362.857 3.591 0 40 FHAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)o1 65553887 QBHLZNGYDNHCNO-FXHACXQTSA-N 356.397 3.694 0 40 FHAB Cc1ccccc1-c1nnc(SCC(=O)c2ccc3c(c2)OCO3)o1 5434857 SKGHUQYLQQJITR-UHFFFAOYSA-N 354.387 3.749 0 40 FHAB CN(C)C(=O)[C@@H](OC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 6847713 SXIIPOICNWVOQV-HNNXBMFYSA-N 352.217 3.980 0 40 FHAB O=C1CCCC(=O)C12Cc1ccc(Br)cc1N1CCCC[C@H]12 4914359 YPHRPAVGYDPJCA-HNNXBMFYSA-N 362.267 3.673 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Nc1ccc2c(c1)OCO2 9336432 QGNOXFBWIXRGCQ-NSHDSACASA-N 362.813 3.825 0 40 FHAB C[C@@H](Sc1nnc(-c2ccccc2F)n1C)C(=O)N1CCCCCC1 7173179 KXUIVDPYAWILII-CYBMUJFWSA-N 362.474 3.504 0 40 FHAB C[C@H](NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccco1 7692198 VHLAYOXBXGQGLC-ZDUSSCGKSA-N 368.462 3.707 0 40 FHAB CCN(CC)C(=S)S[C@@H](C)C(=O)N[C@H]1CCCc2ccccc21 7980067 NELQUEVWFPYVED-BBRMVZONSA-N 350.553 3.929 0 40 FHAB Cc1ccc(-n2nnnc2SCC(=O)Nc2cc(C)ccc2C)c(C)c1 7997733 RHIKHQNRDKLZQY-UHFFFAOYSA-N 367.478 3.627 0 40 FHAB Cc1noc(C)c1CN1CCC([C@H]2CCCCCN2C(=O)C2CC2)CC1 70040870 ZJPJEGOZQGJADZ-HXUWFJFHSA-N 359.514 3.685 0 40 FHAB COCCc1nnc2sc(C=C(c3ccccc3)c3ccccc3)nn12 8392678 LDYSUTKVMQOLHX-UHFFFAOYSA-N 362.458 3.964 0 40 FHAB CN1CCCN(C(=O)c2cc3ccccc3o2)c2nc3ccccc3nc21 17364395 GNNTUNSPKQJOCB-UHFFFAOYSA-N 358.401 3.863 0 40 FHAB Cc1ccc(Oc2ccc(OCC(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1 18208617 IVALCPPALQFSIU-CALCHBBNSA-N 355.434 3.802 0 40 FHAB COc1ccc(-c2nnc(COC(=O)c3cc4c(s3)CCC4)o2)cc1 18259954 CSVMHSIEYYQAOZ-UHFFFAOYSA-N 356.403 3.652 0 40 FHAB COc1ccccc1CNC(=O)c1cccnc1Nc1cccc(F)c1 22073034 OTBJWTMKFFHFAI-UHFFFAOYSA-N 351.381 3.903 0 40 FHAB COc1ccc(NC(=O)NCCC(=O)Nc2ccc(F)cc2Cl)cc1 21892387 ANBMVVRUZCZSGD-UHFFFAOYSA-N 365.792 3.638 0 40 FHAB c1cc(CN2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cs1 306131199 JYMUFVAGKOTXGC-KRWDZBQOSA-N 367.522 3.771 0 40 FHAB Cc1cccc([C@H](C)NC(=O)NCC2CCN(c3ccncc3)CC2)c1C 89218599 IVHWMZLFQBETAZ-SFHVURJKSA-N 366.509 3.975 0 40 FHAB CSCc1cc(C(=O)OCC(=O)N[C@H](C)c2cccs2)ccc1F 75093291 MUDJYMDJPDGADO-LLVKDONJSA-N 367.467 3.784 0 40 FHAB COCCN1C(=O)S/C(=C/c2c(OC)ccc3ccc(OC)cc23)C1=O 409126282 OHIMRNZXTFKGBV-GZTJUZNOSA-N 373.430 3.540 0 40 FHAB NS(=O)(=O)c1cccc(NC(=O)c2ccc(C3CCCCC3)cc2)c1 23134918 GWMZHOOIWPVUAR-UHFFFAOYSA-N 358.463 3.634 0 40 FHAB O=C(Nc1cc2nc(O)[nH]c2cc1N1CCCC1)c1ccccc1Cl 408536701 XKQYBSWHURJCHP-UHFFFAOYSA-N 356.813 3.774 0 40 FHAB O=S(=O)(Cc1ccn(-c2ccccc2F)n1)C[C@H]1CCCC(F)(F)C1 509170906 AIZMVWFACBPHOU-ZDUSSCGKSA-N 372.412 3.752 0 40 FHAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2cccc(Cl)c2)nn1 32095096 XDPBLRXZJCGEBR-CYBMUJFWSA-N 369.812 3.756 0 40 FHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)c1 30751569 KPFRQMJTQXEXME-SFHVURJKSA-N 363.461 3.881 0 40 FHAB Cc1ccc(NC(=O)CSc2nccn2-c2cccc(C)c2C)nc1 24924484 QGPZYLIVLNCWFA-UHFFFAOYSA-N 352.463 3.923 0 40 FHAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1n[nH]c(C(F)(F)F)n1 36714269 ZUTKHOGKBWCPMH-ZCFIWIBFSA-N 350.753 3.596 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2c(OC)cccc2OC)cc1Cl 38754890 CMJKPFPYWBEVDB-UHFFFAOYSA-N 363.797 3.786 0 40 FHAB Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3C(=O)c3ccccn3)n2)n1 72375216 GGWCTZQDBDTBLX-GOSISDBHSA-N 374.448 3.604 0 40 FHAB COc1ccc(CCNC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 42927209 RFLRWUKWQLCSEM-LJQANCHMSA-N 364.449 3.661 0 40 FHAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1c(F)cccc1F 44999605 QNDSUPZSTWYAQJ-UHFFFAOYSA-N 362.420 3.626 0 40 FHAB C[C@H]1CCc2cc(F)ccc2N1C(=O)c1csc(-c2cnccn2)n1 44123174 MCMRMBOJJFVNHG-NSHDSACASA-N 354.410 3.721 0 40 FHAB CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Br)cc1 224728819 ANXDELPXKQUNSF-UHFFFAOYSA-N 370.268 3.673 0 40 FHAB NC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Br)s2)c1 48302556 HVJLFUPLECXLHU-UHFFFAOYSA-N 374.647 3.907 0 40 FHAB CC[C@H](CNC(=S)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1 225633657 NIZDSUCATKLGAB-INIZCTEOSA-N 369.534 3.944 0 40 FHAB O=C([C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)N1CCCCC1 40073292 QXEFAAWSUWDWCR-OAHLLOKOSA-N 355.265 3.611 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C 223629148 KNJBLFXJABBHPL-LJQANCHMSA-N 366.505 3.708 0 40 FHAB Cc1cccc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 222674778 ZVQGOOGYCWMEII-SFHVURJKSA-N 366.505 3.870 0 40 FHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1OC 224622657 RGBMJMJQAOMDQJ-INIZCTEOSA-N 363.841 3.701 0 40 FHAB COC(=O)c1ccc(C)c(NC(=S)N[C@H](C)COc2ccccc2C)c1 225635651 SSHGUKALMCIUKT-OAHLLOKOSA-N 372.490 3.844 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSc1ccccc1 223548787 YANJQJLLUIBJAS-KRWDZBQOSA-N 370.518 3.641 0 40 FHAB CCCSc1nnc(NC(=O)c2ccc(Cn3ccnc3)cc2)s1 225732573 RBVWCMDBTSZODK-UHFFFAOYSA-N 359.480 3.537 0 40 FHAB Cc1ccc(CNC(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)C(C)C)cc1 222911874 RXSYTPMTMWTDJQ-KRWDZBQOSA-N 370.468 3.824 0 40 FHAB O=C1CC[C@@H](c2nc(-c3ccc(CN4CCCC4)cc3)no2)n2cccc21 577779183 HXUUKKXQMAJJAA-SFHVURJKSA-N 362.433 3.700 0 40 FHAB Cn1nccc1C1CCN(Cc2c(C(=O)O)sc3ccccc23)CC1 580778019 BVJPMOJHZHNOQF-UHFFFAOYSA-N 355.463 3.713 0 40 FHAB COCC(=O)N1CCC[C@@H](c2cc(Nc3ccc(F)cc3)cc(C)n2)C1 257250301 JLYYWZSKLZDBKK-OAHLLOKOSA-N 357.429 3.625 0 40 FHAB CCO[C@@H](C(=O)Nc1cc(Br)cc(Cl)c1O)C(C)C 626299703 TWEYZDVOFJHPDD-GFCCVEGCSA-N 350.640 3.808 0 40 FHAB O=C(Cn1c(Cc2ccccc2)nc2ccccc21)N1C[C@H]2CC[C@@H](C2)C1 620388126 HBWVEMMGQVFNPS-OALUTQOASA-N 359.473 3.886 0 40 FHAB Cc1cc(C(=O)N2CC[C@](O)(c3ccc(F)cc3)C2)c2ccc(F)cc2n1 1116485283 VBQXROGKZCOCEX-OAQYLSRUSA-N 368.383 3.555 0 40 FHAB CCCCC[C@H](O)/C=C\[C@H]1C(=O)CC(=O)[C@@H]1CCCCCCC(=O)O 299888472 KJWZYMMLVHIVSU-ZONHTTDCSA-N 352.471 3.683 0 40 FHAB CC(C)[C@]1(CO)CCCN(c2nc(-c3cc(F)cc(F)c3)ns2)C1 645249490 AQBCSXFVAMPIMU-QGZVFWFLSA-N 353.438 3.718 0 40 FHAB FC(F)(F)c1cc(N2CC[C@H]3[C@H](C2)CN3CC2CCCCC2)ncn1 585107924 FWTAMBMLVMHZNM-CABCVRRESA-N 354.420 3.586 0 40 FHAB C[C@@H](C(=O)Nc1ccccc1F)[S@@](=O)Cc1c(F)cccc1Cl 66301369 WKOKUNUKFHUVQH-SDWAUSNYSA-N 357.809 3.894 0 40 FHAB O=C(CCCc1c[nH]c2ccccc12)Nc1ccccc1Cn1cncn1 55968999 VDDINJSGJZKTCT-UHFFFAOYSA-N 359.433 3.769 0 40 FHAB Cc1nc(NC(=O)N[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)sc1C 75107523 JTEFYZQPJHWIAX-CHWSQXEVSA-N 368.503 3.717 0 40 FHAB COc1cc2c(cc1/C=C1/SC(=O)N(c3ccccc3)C1=O)OCO2 1097162 HDLGZFXZDNDUIZ-LZYBPNLTSA-N 355.371 3.665 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)c3cccs3)o2)c(OC)c1 929451 AXASNGJFYKVYNA-UHFFFAOYSA-N 362.432 3.790 0 40 FHAB CCOc1ccc([C@@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 11169454 XNQBNSDJSYBECM-CYBMUJFWSA-N 359.422 3.602 0 40 FHAB Cn1nc(C2CC2)cc1C(=O)N[C@@H](c1ccncc1)c1ccc(Cl)cc1 12148541 BHTBACCJQGLZKK-LJQANCHMSA-N 366.852 3.865 0 40 FHAB CC[C@@H](C)NC(=O)C1(Cc2cc(-c3ccccc3C)no2)CCOCC1 12241860 UNPUHECHMCTJKL-MRXNPFEDSA-N 356.466 3.904 0 40 FHAB CCOc1cc2c(=O)oc(-c3ccccc3OC(F)F)nc2cc1OC 12619678 OXRJWJAOQPCMFW-UHFFFAOYSA-N 363.316 3.864 0 40 FHAB CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3cccc(C)c3C)ccc21 13583989 FIDVGONHTUZVDH-UHFFFAOYSA-N 372.490 3.658 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)CCOc2ccccc2Cl)cc1C 15364846 ACHBBGQUYHLTDW-UHFFFAOYSA-N 353.871 3.656 0 40 FHAB CC(C)c1noc([C@@H]2C[C@@H](O)CN2Cc2ccc(-c3ccccn3)cc2)n1 15674765 SGSIYZPDNYLIJM-MJGOQNOKSA-N 364.449 3.563 0 40 FHAB biogenic,in-vitro Cc1ccc(CC(=O)N2CCCC[C@H]2c2n[nH]cc2-c2cc(C)no2)cc1 19209636 HKSVEGPOLNFKMK-SFHVURJKSA-N 364.449 3.978 0 40 FHAB C[C@@H]1C[C@@H]1C(=O)N1CCC(c2nc3ccccn3c2NC(C)(C)C)CC1 19462801 IMPPOBNSPPUYNM-ZBFHGGJFSA-N 354.498 3.907 0 40 FHAB Cc1ccc2c(NC(=O)c3noc4c3C[C@@H](C(C)(C)C)CC4)n[nH]c2n1 19715646 KNJRBBUULMWOLT-NSHDSACASA-N 353.426 3.658 0 40 FHAB CCn1ncc(-c2cc(C(=O)NCC(C)(C)c3ccc(F)cc3)on2)c1C 19719080 DKUATUQIWLTASF-UHFFFAOYSA-N 370.428 3.713 0 40 FHAB O=C(N[C@H](NCCc1ccccc1)C(Cl)(Cl)Cl)c1ccco1 19720822 OYGCQFYNDDTDDW-AWEZNQCLSA-N 361.656 3.538 0 40 FHAB CC(C)C(=O)N1CCC(CC(=O)Nc2nc3c(s2)CCCCC3)CC1 19748866 SVNXRYRBZKVMQV-UHFFFAOYSA-N 363.527 3.635 0 40 FHAB O=C(/C=C/c1ccc(F)cc1)Nc1cc(Cl)ccc1N1CCOCC1 6247967 VZGQVZLIJCFBFU-FPYGCLRLSA-N 360.816 3.968 0 40 FHAB COc1cccc(C(=O)N2CCCC[C@H]3NCC[C@H](c4ccccc4)[C@H]32)c1 19564539 DKABSQPBIDJYAP-YPAWHYETSA-N 364.489 3.836 0 40 FHAB COc1ccc(CNC(=O)CSc2ncnc3sc(C)c(C)c23)cc1 928945 AGPVAPFGAHISNV-UHFFFAOYSA-N 373.503 3.725 0 40 FHAB COc1ccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(O)c1 3442860 FKKGLJDLLJXXPI-UHFFFAOYSA-N 370.188 3.503 0 40 FHAB Oc1ccc(-n2nnnc2SCCCOc2ccc(Cl)cc2)cc1 5319211 KQFJUISDFCDPQM-UHFFFAOYSA-N 362.842 3.583 0 40 FHAB COc1ccc(NC(=O)c2cc3nc(N(C)C)sc3s2)c(OC)c1 1888897407 KHQRSNWRDCDGLS-UHFFFAOYSA-N 363.464 3.693 0 40 FHAB Cc1nc(N[C@@H]2CCN(C3CCOCC3)C2)c2c3c(sc2n1)CCCC3 1889118423 IITQBZYPMZEOLZ-CQSZACIVSA-N 372.538 3.544 0 40 FHAB S=C(Nc1ccccc1I)NC1CCCCC1 7092202 ZEUSUJGDWKATNI-UHFFFAOYSA-N 360.264 3.910 0 40 FHAB CCn1cc(C(=O)N2CCC[C@H](Cc3n[nH]cc3C)C2)c2ccccc21 2037684430 DNXXWNCHBDDSGU-MRXNPFEDSA-N 350.466 3.788 0 40 FHAB CCOc1ccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCCCC3)cc1 2966485 MPEBCBPXJWNSLX-QFIPXVFZSA-N 351.470 3.736 0 40 FHAB Cc1ccc(C)c(NC(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 4374349 DRPSAPRFBBLUEG-HNNXBMFYSA-N 357.841 3.884 0 40 FHAB Cc1cccc(CSc2nccn(-c3ccc4c(c3)OCCO4)c2=O)c1 9761353 GBDJTUPMRXKIPN-UHFFFAOYSA-N 366.442 3.604 0 40 FHAB O=S(=O)(NCC1(c2cccs2)CCCC1)c1cc(F)ccc1F 13804409 FCFVTMGOCRDKNZ-UHFFFAOYSA-N 357.447 3.817 0 40 FHAB O=C(NCC1CCN(Cc2cccs2)CC1)Nc1ccc2c(c1)OCO2 38489611 WSPPSNZMYBLJPZ-UHFFFAOYSA-N 373.478 3.511 0 40 FHAB Cc1ccsc1[C@H](O)CNC(=O)C(C)(C)Oc1ccc(Cl)cc1 75155252 ORFVJJSTDWYSKQ-CQSZACIVSA-N 353.871 3.717 0 40 FHAB C[C@H](Cc1ccc(Br)cc1)NC(=O)Cc1ccc(F)cc1 40108447 USJVKLDTTKGODX-GFCCVEGCSA-N 350.231 3.878 0 40 FHAB COc1cccc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1OC 32754668 LJWQIUUHLWMJRA-UHFFFAOYSA-N 363.417 3.510 0 40 FHAB Cc1cccc(-c2nnc(S[C@H](C)C(N)=O)n2[C@@H]2CCCC[C@H]2C)c1 102341649 GWDOEDRZENBCCR-IIAWOOMASA-N 358.511 3.971 0 40 FHAB COc1ccc(CCC(=O)NCCNc2nc3ccccc3s2)cc1F 32828066 IRFNKOZBWSMGNB-UHFFFAOYSA-N 373.453 3.605 0 40 FHAB C[C@H](OC(=O)c1ccc2c(c1)CCC(=O)N2)c1nnc(-c2ccccc2)o1 32841148 CGCUBNYCAAGXBG-LBPRGKRZSA-N 363.373 3.539 0 40 FHAB Cc1cccc(N2CCN(Cc3nc(-c4cccs4)no3)CC2)c1C 41282857 CPUVIKIJHQLDLC-UHFFFAOYSA-N 354.479 3.737 0 40 FHAB O=C(Nc1ccccc1N1CCCCCC1)C1CCN(C(=O)C2CC2)CC1 32908520 FEBGCLQKSNDFFL-UHFFFAOYSA-N 369.509 3.654 0 40 FHAB O=C(NCCNC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(F)cc1 32912711 OHKKEHQQKRWVLD-UHFFFAOYSA-N 370.211 3.684 0 40 FHAB CC(C)NC(=O)c1cccc(NC(=O)COc2ccccc2C(C)C)c1 12138882 RAYUFYJOXOJRDE-UHFFFAOYSA-N 354.450 3.966 0 40 FHAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1nonc1-c1ccc(Cl)cc1 8869604 OTOPROIWTGUDEE-JTQLQIEISA-N 361.760 3.935 0 40 FHAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)NC1CCCCC1 1332836 QVWHSQKGENIXDN-UHFFFAOYSA-N 356.451 3.759 0 40 FHAB C[C@H](Oc1cccc(C(=O)/C=C/C=C/c2ccccc2[N+](=O)[O-])c1)C(=O)O 78726004 QEXROEISVNNBLT-KIERFVMDSA-N 367.357 3.899 0 40 FHAB O=C(c1ccc(C(F)(F)F)nc1)N(Cc1ccccn1)Cc1ccccn1 22996733 SILQHBYGEVRFAB-UHFFFAOYSA-N 372.350 3.733 0 40 FHAB CCc1cccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(C(=O)OC)cc23)c1 4852898 KSOGZOZUEGFAIV-UWJYYQICSA-N 366.417 3.805 0 40 FHAB CCC[C@H]1CO[C@@](Cn2c[n+](CC)cn2)(c2ccc(Cl)cc2Cl)O1 896416 ZMIUUEUCMUEWIG-WMLDXEAASA-N 371.288 3.566 0 40 FHAB Cc1cc(F)ccc1NC(=O)c1nn(CC(C)C)c(=O)c2ccccc12 6610695 FIGYZFBEVZOUEA-UHFFFAOYSA-N 353.397 3.752 0 40 FHAB CCOC(=O)C1(C(=O)OCC)Cc2ccsc2-c2sccc2C1 984476 OKLUSGAATMGESR-UHFFFAOYSA-N 350.461 3.688 0 40 FHAB CCNc1nnc(SCc2ccc(OCc3nccn3C)cc2)s1 42571518 GBBUEWOMCPVNBB-UHFFFAOYSA-N 361.496 3.575 0 40 FHAB Cc1cccn2cc(Cn3cnc4c(Cl)cc(Cl)cc4c3=O)nc12 10610927 VTHUQNAZERATQW-UHFFFAOYSA-N 359.216 3.708 0 40 FHAB Cc1cc(C)cc(OCC(=O)NCc2ccc(CN3CCCC3)cc2)c1 8430012 PGCNIAHMPZKZEN-UHFFFAOYSA-N 352.478 3.594 0 40 FHAB O=C(Nc1ccc(Cl)cc1)c1c(O)nc2sc3ccccc3n2c1=O 1394287 XJFQWWINQLWTFD-UHFFFAOYSA-N 371.805 3.521 0 40 FHAB CC[C@@H](OC(=O)CCOc1ccc(C)cc1)C(=O)Nc1ccc(F)cc1 24963767 UKLYAJFHBCXURB-GOSISDBHSA-N 359.397 3.864 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)c1ccc(OC(F)F)cc1)c1ccccc1 12506498 LYMCZRIKNRXIDN-INIZCTEOSA-N 357.360 3.541 0 40 FHAB COC(=O)[C@]1(C)[C@H]2[C@H]3CCC[C@@H]3[C@H]3[C@@H]2[C@@H]2[C@H]4[C@@H]5[C@H](CC[C@@]5(C)C(=O)[C@@]34C)[C@H]21 104294821 UUGXCKXVYHJQAL-HSIZQFBJSA-N 368.517 3.955 0 40 FHAB COc1ccc(N[C@H](NC(=O)c2ccccc2)C(=O)c2ccccc2)cc1 1450994 ZDEFFVZSLDONHY-OAQYLSRUSA-N 360.413 3.746 0 40 FHAB C[C@@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccccc1 56526717 HOOKJFGXXBVZGW-GFCCVEGCSA-N 365.355 3.532 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 12585771 IJVAPRGGIOXDJU-WUTDNEBXSA-N 364.489 3.620 0 40 FHAB CCOc1ccc(N2C[C@H](C(=O)NC3CCCCCCC3)CC2=O)cc1 57363728 OQNLXKHADYLHDB-MRXNPFEDSA-N 358.482 3.667 0 40 FHAB CCCC[C@H](c1nnnn1C(C)(C)C)N1CCN(c2ccc(F)cc2)CC1 57669755 RSHLXLHMWJTULD-GOSISDBHSA-N 374.508 3.621 0 40 FHAB CCCCN(C)C(=O)Cn1cccc1-c1nc(-c2ccc(C)cc2)no1 57486843 BEMSWNCVSCLJEL-UHFFFAOYSA-N 352.438 3.772 0 40 FHAB CCCC[C@H](c1nnnn1C(C)C)N1CCN(c2cc(C)ccc2C)CC1 57670187 ZGKXRILWFNZSHA-LJQANCHMSA-N 370.545 3.924 0 40 FHAB Cc1cc(=O)n(CC(=O)Nc2cccc(F)c2)c(-c2cccc(Cl)c2)n1 57526924 SFRUBFBRMWIONP-UHFFFAOYSA-N 371.799 3.650 0 40 FHAB COc1ccc([C@H](CNCc2ccccc2Cl)N2CCOCC2)cc1 57681586 YJAJBGANORDIEV-FQEVSTJZSA-N 360.885 3.512 0 40 FHAB CCOc1ccc(-c2csc(-c3cc(NC(=O)C4CC4)n(C)n3)n2)cc1 35683043 RKPNBYJGIXOZNW-UHFFFAOYSA-N 368.462 3.958 0 40 FHAB CCN(CC)c1ccc(NC(=O)CCc2nnc(-c3ccsc3)o2)cn1 44640184 RIOLFPPMGRPVPR-UHFFFAOYSA-N 371.466 3.611 0 40 FHAB CCN(CC)Cc1ccccc1NCC(=O)N1CCc2sccc2C1 59803386 PACBXRSUUGZHSC-UHFFFAOYSA-N 357.523 3.587 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)N(C)C3CCCCC3)o2)cc1 3266980 NZNSWAQNAZKBFN-UHFFFAOYSA-N 361.467 3.628 0 40 FHAB Cc1ccc(NC(=O)NC[C@@H](O)COc2cccc(C(F)(F)F)c2)cc1 58245097 RGZLGRAUXGRGIR-OAHLLOKOSA-N 368.355 3.575 0 40 FHAB CC[C@H](C(=O)N1CCC(NC(=O)C2CCCCC2)CC1)c1ccccc1 58224987 IRLDINONMXIMGN-FQEVSTJZSA-N 356.510 3.868 0 40 FHAB Cc1ccccc1CN1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 58288924 XTYXKQHBBHNPAC-SFHVURJKSA-N 362.477 3.924 0 40 FHAB O=C(OCc1nc2ccccc2s1)[C@@H]1CCCN1C(=O)c1cccs1 3282504 YTGIDBPMQUOTHG-ZDUSSCGKSA-N 372.471 3.706 0 40 FHAB O=C(NC[C@H]1CCN(c2ccccc2)C1)c1cc(-c2ccccc2F)on1 27842877 BZZCDDBJBRLCDX-OAHLLOKOSA-N 365.408 3.737 0 40 FHAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1CCC1 58356834 QLGWBKIZWGRINL-UHFFFAOYSA-N 362.458 3.530 0 40 FHAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C2CCCCC2)CC1 100750029 MEZNJWCOFVCNMG-LVCYWYKZSA-N 371.525 3.762 0 40 FHAB O=C(O)CCc1ccc(OCc2nc(-c3ccccc3Cl)no2)cc1 97166012 NMRPUPZOQUMFEN-UHFFFAOYSA-N 358.781 3.986 0 40 FHAB O=C1Nc2ccc(F)cc2[C@@]12Nc1ccccc1-c1nc3ccccc3n12 2446837 IHIWLKNPHDBEAE-NRFANRHFSA-N 356.360 3.921 0 40 FHAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc2c(c1)OCCCO2 24859592 LTPWMJBGYPDJAT-UHFFFAOYSA-N 371.481 3.889 0 40 FHAB COc1ccc(C(C)=O)cc1COC(=O)c1cc(-c2ccc(C)cc2)n[nH]1 11494185 SGBOGOLTVXYSRG-UHFFFAOYSA-N 364.401 3.953 0 40 FHAB CC1CCN(C[C@H]2CCCN(C(=O)[C@H](C)OCc3ccccc3)C2)CC1 60275019 WGTILHOOMYKTLU-PZJWPPBQSA-N 358.526 3.562 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 12781760 GVXYZJRGROXQAZ-QZTJIDSGSA-N 365.477 3.673 0 40 FHAB c1ccc2sc(N3CCN(Cc4csc(C5CC5)n4)CC3)nc2c1 136035387 LOHFZQMVNAHKEI-UHFFFAOYSA-N 356.520 3.952 0 40 FHAB Cc1ccc(-c2nnc(S)n2CC(=O)N[C@H](C)c2ccc(F)cc2)cc1 12980498 PLZMTUZNFSHPDU-CYBMUJFWSA-N 370.453 3.559 0 40 FHAB C[C@@H](NCc1cccc(Cl)c1)c1ccc(OCC(=O)NC2CC2)cc1 48744679 ATTFGEVIQBJTJT-CQSZACIVSA-N 358.869 3.848 0 40 FHAB CCCCNc1nnc(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)s1 9053834 KWMWFUGFEUUSJI-UHFFFAOYSA-N 366.512 3.873 0 40 FHAB CCOc1cccc(CNC(=O)CCc2nc(-c3cccc(F)c3)no2)c1 72332147 ZWTVYZXPLUGREF-UHFFFAOYSA-N 369.396 3.523 0 40 FHAB CCCSc1nnc(NC(=O)c2cc(=O)c3ccc(C)cc3o2)s1 9194456 CAFWTYUJTKAWKR-UHFFFAOYSA-N 361.448 3.707 0 40 FHAB C[C@H](NC(=O)CSc1ccc2c(c1)CCC2)c1ccc2c(c1)OCO2 14085594 PMRKPPZVZLRINO-ZDUSSCGKSA-N 355.459 3.874 0 40 FHAB Cc1ccc(OCCN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)cc1 14121787 DASAFJDNPSWYFS-NRFANRHFSA-N 364.401 3.587 0 40 FHAB O=C(NCC1(C2CCCCC2)CCCCC1)[C@@H]1CCCCS1(=O)=O 96011272 ZNNPLXOLTJFHNN-KRWDZBQOSA-N 355.544 3.601 0 40 FHAB CCN1C(=O)[C@@](O)(CC(=O)c2c(C)c(C)cc(C)c2C)c2ccccc21 4554413 RXJHLGILIPUVAH-JOCHJYFZSA-N 351.446 3.747 0 40 FHAB O=C1C[C@@H](C(F)(F)F)c2c(c(C(=O)O)cn2-c2ccccc2Cl)N1 66087675 DVBBTZLDCZFNBM-MRVPVSSYSA-N 358.703 3.817 0 40 FHAB O=C(NC[C@H]1CCCO1)c1oc2ccccc2c1COc1ccccc1 6608987 FXVUTGXWKXTBEO-MRXNPFEDSA-N 351.402 3.921 0 40 FHAB Cn1c(=O)[nH]c2cc(C(=O)Nc3cccc(C4SCCS4)c3)ccc21 84311036 TWAPKHIIOQIAMO-UHFFFAOYSA-N 371.487 3.598 0 40 FHAB CS(=O)(=O)Nc1ccc(C(=O)CSc2ccc(Cl)cc2)cc1 7026325 SRRZCXBNPRPXNG-UHFFFAOYSA-N 355.868 3.687 0 40 FHAB C[C@H]1CCCC[C@H]1OCC(=O)NCc1ccnc(N2CCCCCC2)c1 112817298 YKZYQISBOVLTKO-PKOBYXMFSA-N 359.514 3.674 0 40 FHAB Cn1c(-c2ccc(F)cc2)nn(CN(Cc2ccncc2)C2CC2)c1=S 7317858 OLYRPTNRTPKSQQ-UHFFFAOYSA-N 369.469 3.774 0 40 FHAB O=C(COc1ccc2ccccc2c1)NCc1ccc(N2CCCC2=O)cc1 7490679 KOSREMXQGWPPSJ-UHFFFAOYSA-N 374.440 3.662 0 40 FHAB Cc1c(C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)oc2ccc(F)cc12 7541966 YDDISTVJYVHXPQ-GOSISDBHSA-N 355.365 3.867 0 40 FHAB C[C@H](Oc1ccc(Br)cc1)C(=O)Oc1ccc2c(c1)OCO2 7658573 WWKARSOGMMYJNO-JTQLQIEISA-N 365.179 3.551 0 40 FHAB CCC[C@@H](C)NC(=O)Cn1c(NCc2ccccc2)nc2ccccc21 7989841 KKTTTXINQRNYFU-MRXNPFEDSA-N 350.466 3.953 0 40 FHAB C[C@@H]1Oc2c(C(=O)Nc3cccc(N4CCCC4=O)c3)cccc2[C@@H]1C 8271717 NYZQMIWMDWGBIM-KGLIPLIRSA-N 350.418 3.950 0 40 FHAB CCc1ccc([C@H](C)NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1 8241969 BAYOLEKDPUYGBF-ZDUSSCGKSA-N 369.490 3.515 0 40 FHAB O=C(NCCCn1ccnc1)[C@H](Sc1ccccc1)c1ccccc1 17072960 AMTLOQKNLRHRTI-LJQANCHMSA-N 351.475 3.923 0 40 FHAB Cc1cc(C)n2nc(C(=O)N(Cc3ccc(C(C)C)cc3)C3CC3)nc2n1 8718727 YCUSEZGULVVEEJ-UHFFFAOYSA-N 363.465 3.669 0 40 FHAB CC(=O)N1N=C(c2cccc(Cl)c2)C[C@H]1c1ccc2nccnc2c1 89930418 QZLSNLCYPUZDML-IBGZPJMESA-N 350.809 3.981 0 40 FHAB CCOc1ccccc1NC(=O)CN1C[C@@H](C)Oc2ccc(Cl)cc21 76089698 JEKHRHIEINDXMC-CYBMUJFWSA-N 360.841 3.965 0 40 FHAB Cn1cc([C@@H]2C[C@@H]2C(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)cn1 60247413 WBFYWETYWZVFAD-STQMWFEESA-N 352.265 3.882 0 40 FHAB COc1ccc(OCCCC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 20460390 RJHDBQGBZKQPAO-OAHLLOKOSA-N 373.449 3.749 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1 30057126 NUMZGBWVRRTZRA-CQSZACIVSA-N 356.809 3.534 0 40 FHAB COc1ccc([C@@H]2[C@@H](NC(=O)C[C@H](C)n3ccnc3)[C@H]3CCCC[C@H]32)cc1 60016604 INXUSRUAMUXTRN-KZBONISLSA-N 367.493 3.931 0 40 FHAB CC[C@H](O)[C@H](C)c1nnc(N2Cc3ccccc3C2)n1Cc1ccccc1 1521706838 VYIGWSBLYQPKHC-JXFKEZNVSA-N 362.477 3.721 0 40 FHAB CCc1ccccc1O[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 38755389 DIXRAVGPOAPYAU-INIZCTEOSA-N 356.441 3.504 0 40 FHAB O=C(C[C@@H](Cc1ccc(Br)cc1)C(=O)O)Nc1ccccc1 35142354 YMSPKLWTBCEEGU-CYBMUJFWSA-N 362.223 3.721 0 40 FHAB Brc1ccc2c(c1)[C@H]1C[C@](C3CC3)(N=C3SCCN31)O2 71784919 PUDAPTHGMDVUBR-DOMZBBRYSA-N 351.269 3.797 0 40 FHAB COC(=O)/C=C/c1ccc(-c2ccc(I)cc2)o1 216769117 ZSUKCXQNCDLVQP-VQHVLOKHSA-N 354.143 3.737 0 40 FHAB O=C(CSc1nc2ccccc2s1)N1CCC(Cn2cccn2)CC1 62130559 UORCUSKXPNBZJT-UHFFFAOYSA-N 372.519 3.524 0 40 FHAB COc1cc([C@H]2CC(O)=Nc3c2cnn3C(C)(C)C)cc(OC)c1OC 49545164 CWLRZERQGPWVNU-GFCCVEGCSA-N 359.426 3.788 0 40 FHAB CC(C)(C)NC(=S)Nc1nc(N2CCCCC2)cc(C(F)(F)F)n1 225896321 BEJIDSVULGSWKD-UHFFFAOYSA-N 361.437 3.571 0 40 FHAB COc1cc(N)ccc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 226238486 OCXNHKYXHWTCMV-UHFFFAOYSA-N 357.479 3.702 0 40 FHAB CN(CCC(=O)Nc1ccccc1)Cc1cc(Br)cs1 48575411 WLZIVBUBCCEAEV-UHFFFAOYSA-N 353.285 3.971 0 40 FHAB Cc1cc(Br)ccc1NC(=O)C(=O)NCCC1=CCCCC1 42646248 NBKZUOHMUGFNKO-UHFFFAOYSA-N 365.271 3.703 0 40 FHAB COC(=O)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@@H](C4)[C@H]23)cc1 138933294 XYEPZFXWJXPTAL-JARUQAPTSA-N 373.499 3.875 0 40 FHAB Cc1ccc(CNC(=O)C2CCN(C(=O)c3sccc3C)CC2)cc1F 40113872 RARZZAJBAZHJPX-UHFFFAOYSA-N 374.481 3.673 0 40 FHAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(Oc2nccs2)cc1 77890267 PXZXGYZUMVHFFU-UHFFFAOYSA-N 354.387 3.594 0 40 FHAB CO[C@H]1C[C@@H](N(C)C(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)C1 585082300 ZEPBTEXGCOLLMD-TXEJJXNPSA-N 352.406 3.646 0 40 FHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3[C@H]3CCSC3)cc2n1 247857832 YSBXKGHIUSIMLB-AAEUAGOBSA-N 356.417 3.699 0 40 FHAB COc1cccc(C(=O)N2CCC(C(=O)Nc3ccccc3Cl)CC2)c1 244175731 VGECBXNBENRFTN-UHFFFAOYSA-N 372.852 3.840 0 40 FHAB Cc1nc(CO[C@H]2CCOC3(C2)CN(Cc2ccccc2C)C3)cs1 248140762 FMEHJMWTWHMPCS-IBGZPJMESA-N 358.507 3.710 0 40 FHAB Cc1c[nH]c(-c2cc([C@H]3CCCCN3C(=O)c3ccccc3)nc(C)n2)n1 257216064 CSYHSNYABCLHDP-LJQANCHMSA-N 361.449 3.851 0 40 FHAB Cn1cnc(CN2CCC[C@@H](c3nccnc3Oc3ccccc3F)C2)c1 257328711 XGUMQLANINEVJH-OAHLLOKOSA-N 367.428 3.521 0 40 FHAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1 1290327702 JVBKNASHQVBSMN-OAHLLOKOSA-N 372.421 3.623 0 40 FHAB COc1ccc(NC(=O)N2CCn3nc(C(C)(C)C)cc3C2)cc1Cl 1665590914 CIVNUTWYUCYFBW-UHFFFAOYSA-N 362.861 3.890 0 40 FHAB O=C(Nc1ccc2c(c1)CCCO2)N[C@H](C[C@H]1CCCO1)C(F)(F)F 653962591 OBSHWUBJGGHWFP-UKRRQHHQSA-N 358.360 3.633 0 40 FHAB Cc1cccc([C@@H]2CCN(C(=O)N[C@H](C[C@H]3CCCO3)C(F)(F)F)C2)c1 654263289 GPUZAKHKVFPCEP-BRWVUGGUSA-N 370.415 3.994 0 40 FHAB CCn1c(O)nc2cc(C(=O)Nc3cc(-c4ccccc4C)[nH]n3)ccc21 1152449298 VVOFDDVGTLKGLZ-UHFFFAOYSA-N 361.405 3.713 0 40 FHAB CCOc1ccc(COc2c(NC(C)=O)c3cccc(C)c3n2C)nc1 671620844 NHQKGFIQLHIJOZ-UHFFFAOYSA-N 353.422 3.818 0 40 FHAB COC(=O)CCc1ccc2c(c1)O[C@@](C)(CCCO)[C@@H]1CC[C@@H](C)O[C@@H]21 585265774 PTEGGQGGOXISPG-LPNJYYIDSA-N 362.466 3.572 0 40 FHAB O=C(NCCc1ccccn1)c1nc(-c2ccccc2)n2c1CCCCC2 28898224 SNPPQXVBNUHFGA-UHFFFAOYSA-N 360.461 3.644 0 40 FHAB CN(Cc1ccc(Br)s1)C(=O)c1cccc(N(C)C)c1 18107786 FRDKYBLHQFGNKW-UHFFFAOYSA-N 353.285 3.849 0 40 FHAB Cc1ccc2c(c1)NC(=O)C[C@@H]1CCN(Cc3ccccn3)C[C@@H]1CCO2 1534646757 TUOWCWFPUFHWEG-ROUUACIJSA-N 365.477 3.639 0 40 FHAB CN(C)C(=O)c1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 5549947 IKIBRATZHILISY-UHFFFAOYSA-N 350.340 3.588 0 40 FHAB O=C(CN1C(=O)S/C(=C/c2ccccc2F)C1=O)Nc1cccc(F)c1 5770304 WZCFWADNPVPPQH-OVCLIPMQSA-N 374.368 3.640 0 40 FHAB Cc1nn(CC(=O)N[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)c(C)c1C 12366609 HTUHXQDHAIQYAK-MXNKGDRCSA-N 351.494 3.897 0 40 FHAB CCOC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC 14070182 OBUWFNYWDBHIQA-UHFFFAOYSA-N 360.266 3.927 0 40 FHAB Cc1ccc(NC(=O)c2c(O)[nH]c3ccccc3c2=O)c(Br)c1 18067964 BOGJVENOWATSKP-UHFFFAOYSA-N 373.206 3.557 0 40 FHAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 6152196 PQXHIUHJJCUCGQ-NSHDSACASA-N 350.212 3.864 0 40 FHAB CCc1nnc([C@H]2C(=N)S/C(=C\c3ccc(OC)cc3C)C2=O)s1 6294673 GUIRGMBAZWLNAZ-HFENLWAASA-N 359.476 3.835 0 40 FHAB Cc1ccc2[nH]c(C(=O)N3CCc4c(cnn4-c4ccccc4)C3)cc2c1 530744029 PLXINELCVTZXLF-UHFFFAOYSA-N 356.429 3.861 0 40 FHAB Cc1ccc(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1C 5016696 ROVSBAKPAOVJPX-UHFFFAOYSA-N 372.446 3.515 0 40 FHAB COc1ccc(CNC(=O)CSc2nnc(C)n2C2CCCCC2)cc1 5866373 IVVRLRCYVPZGPL-UHFFFAOYSA-N 374.510 3.509 0 40 FHAB COC(=O)c1ccc(/C=C/c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 6314167 SNQMPNGBBFXLLT-DHZHZOJOSA-N 366.442 3.820 0 40 FHAB C[C@@H]1Nc2ncnn2[C@@H](c2cccc(Cl)c2)[C@@H]1C(=O)Nc1ccccc1 11694782 YVELEDCTDYXBMH-VUCTXSBTSA-N 367.840 3.590 0 40 FHAB CCC(=O)Nc1sc(SCC(=O)NC2CC2)nc1-c1ccccc1 12442974 QDGNNZZSQGUTQF-UHFFFAOYSA-N 361.492 3.529 0 40 FHAB Cc1cccnc1OCC1CCN(C(=O)c2nccc3ccccc23)CC1 1775969546 XTIJPCPZHYDNOD-UHFFFAOYSA-N 361.445 3.869 0 40 FHAB O=C(Nc1ccc(Br)cn1)c1ccc(Br)cc1 13234579 YIYLSNMMBVGPQX-UHFFFAOYSA-N 356.017 3.859 0 40 FHAB Cc1cccc(CCC(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)c1 40080322 DDUIMUYLJTTZHY-SFHVURJKSA-N 352.482 3.609 0 40 FHAB Cc1ccc(C)c(OCCC(=O)Nc2cccc(NC(=O)NC3CC3)c2)c1 40050293 OVYRUGLLFXEQJO-UHFFFAOYSA-N 367.449 3.995 0 40 FHAB COC(=O)C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccccc1 40017262 WBYGFUZICGHGNJ-HNNXBMFYSA-N 351.324 3.740 0 40 FHAB CC(C)(C)c1nc2cc(NC(=O)c3n[nH]c(=O)c4ccccc34)ccc2o1 40081621 PGBOTCQAUGPPCQ-UHFFFAOYSA-N 362.389 3.614 0 40 FHAB C[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccccc1NS(C)(=O)=O 40151616 GICLSJLXWAPZPI-LLVKDONJSA-N 367.858 3.594 0 40 FHAB Cc1nc(NC(=O)[C@H](CC(C)C)N2Cc3ccccc3C2=O)sc1C 20738947 KUWPYWOXMJINDJ-INIZCTEOSA-N 357.479 3.769 0 40 FHAB O=C(C[C@H]1C=CCC1)Nc1ccnn1Cc1ccc(Br)cc1 32744760 VLHKMPHLNOQOCY-ZDUSSCGKSA-N 360.255 3.989 0 40 FHAB O=C(NC[C@H]1COc2ccccc2C1)c1ccc(OC(F)(F)F)cc1 32744642 JRQYUHYSRBABNG-LBPRGKRZSA-N 351.324 3.566 0 40 FHAB CCOc1cc2c(cc1NC(=O)CCc1ccc3c(c1)OCO3)O[C@H](C)C2 32848101 MJMAKISMKDYGTG-CYBMUJFWSA-N 369.417 3.709 0 40 FHAB Cc1cccc(NC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)n1 21894314 VGZPIPSUWHZFRU-QPRVAFDKSA-N 369.509 3.686 0 40 FHAB O=C(CCN1C(=O)c2ccccc2C1=O)Oc1cc(Cl)cc(Cl)c1 842374 JPYHUGAIEMEEOD-UHFFFAOYSA-N 364.184 3.585 0 40 FHAB Cc1nc(C2(NC(=O)CCc3c(F)cccc3F)CCCCCC2)no1 41840512 LQUSWNBAFCVUNJ-UHFFFAOYSA-N 363.408 3.955 0 40 FHAB O=C(NC(=O)c1c(F)cccc1F)Nc1nc2cc(Cl)ccc2o1 1869744 ZPPOBWNKKFXYEW-UHFFFAOYSA-N 351.696 3.721 0 40 FHAB Cc1nc(-c2ncccn2)sc1C(=O)Nc1cnc(-c2ccccc2)nc1 47208948 GJPPRVCKQNNYHD-UHFFFAOYSA-N 374.429 3.618 0 40 FHAB O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)Nc1cccc(Cl)c1 3015127 RQLAQBLWASKZLR-UHFFFAOYSA-N 373.865 3.629 0 40 FHAB C[C@]1([C@@]2(C)NN=C(c3ccccc3)S2)NN=C(c2ccccc2)S1 3136101 DFKBKQAGOIUZMD-ROUUACIJSA-N 354.504 3.815 0 40 FHAB C[C@@H]1Cc2cc(/C=C/[C@]34NC(=O)CN3c3ccccc3C4(C)C)ccc2O1 3999984 TWCVOODGGUWAPC-LYABZSEASA-N 360.457 3.647 0 40 FHAB biogenic COc1ccc(NC(=O)NC2CCN(C)CC2)cc1Cc1ccccc1 53963118 NPCWHCMJJQASLP-UHFFFAOYSA-N 353.466 3.502 0 40 FHAB CC(C)(C)n1nc(C2CC2)cc1C(=O)Nc1ccc2oc(=O)ccc2c1 54254269 KIGMPGOPWACKLY-UHFFFAOYSA-N 351.406 3.874 0 40 FHAB CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccccc1C 7043895 GFWCFIYFINAXTK-UHFFFAOYSA-N 358.511 3.814 0 40 FHAB COc1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1Br 7616211 BXFKBKHPVLBNCH-UHFFFAOYSA-N 374.300 3.627 0 40 FHAB COc1ccc(NC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)cc1 8117636 PNZJCUNHBDNGJA-UHFFFAOYSA-N 369.442 3.651 0 40 FHAB Cc1[nH]c(SCC(=O)NCCc2ccccc2)nc1Cc1ccccc1 8813248 AJKCZDBKKLIQHY-UHFFFAOYSA-N 365.502 3.760 0 40 FHAB Cc1ccccc1-n1nnnc1S[C@@H](C)C(=O)c1ccc(F)c(F)c1 8987984 LXYVDTGOEYONBS-NSHDSACASA-N 360.389 3.612 0 40 FHAB Cc1cc(Cl)ccc1-n1nnnc1SCc1nc2ccccc2[nH]1 3902579 ODFZVWVKKXUOPM-UHFFFAOYSA-N 356.842 3.793 0 40 FHAB O=C(Cc1csc(-c2ccsc2)n1)OCc1nnsc1Cl 25101777 MFRCSKXQZVLNBU-UHFFFAOYSA-N 357.869 3.662 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)COc1cccc2ccccc12)c1ccccc1 12530315 KXETUONTIZQDQN-QFIPXVFZSA-N 371.440 3.858 0 40 FHAB Cc1ccc(CCC(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)cc1Cl 25408504 OHAGYDNYHSQACC-HOTGVXAUSA-N 366.933 3.585 0 40 FHAB CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@H](C)c2sc(C)nc2C)c1 56487228 XFCJWWJEXJWSNE-CMPLNLGQSA-N 360.483 3.840 0 40 FHAB CN(C)[C@H](CNc1ncnc2c1cnn2-c1ccccc1)c1cccs1 57318519 QZKVDRVRCHLVSG-MRXNPFEDSA-N 364.478 3.592 0 40 FHAB CC(=O)Nc1cccc(NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)c1 26765936 ZIVOMMNOJZKNHJ-UHFFFAOYSA-N 362.433 3.629 0 40 FHAB COc1cc(CCc2cc(O)n3nc(-c4cccc(C)c4)c(C)c3n2)on1 100776330 YFLUDJYERVMBAX-UHFFFAOYSA-N 364.405 3.501 0 40 FHAB CC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 107945487 VLTAGRWHCBHRFP-OAHLLOKOSA-N 374.506 3.941 0 40 FHAB CCC(=O)c1ccc(OC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 3281681 HMLNQFLGYOIYBS-IZZDOVSWSA-N 370.401 3.924 0 40 FHAB CC(C)c1ccccc1NC(=O)CCn1nc(-c2cccs2)oc1=O 12612696 BJVKJWZNVADQGI-UHFFFAOYSA-N 357.435 3.717 0 40 FHAB O=C(Nc1ccc(-n2ccnc2)cc1)c1ccc(NC(=O)c2ccco2)cc1 23889939 RJADVKDEXSSSJM-UHFFFAOYSA-N 372.384 3.970 0 40 FHAB Cc1[nH]ncc1CCCNC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 58355150 WZXOBKNSKQYDLW-UHFFFAOYSA-N 356.426 3.514 0 40 FHAB Cc1ccc(F)c(CN2CCC3(CC2)C[C@H](Nc2ncccn2)CCO3)c1 108531920 SHOOHWXJWPSYAL-GOSISDBHSA-N 370.472 3.550 0 40 FHAB O=C(Cc1cccc(C(F)(F)F)c1)NCCCc1nc2ccccc2[nH]1 10541725 HKQQLMHAUGQKRF-UHFFFAOYSA-N 361.367 3.873 0 40 FHAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(F)cc3C)CC2=O)cc1 103717756 VDDUCFQMVYRMLT-HNNXBMFYSA-N 370.424 3.915 0 40 FHAB CN(C)[C@@H](CNC(=O)COc1ccccc1)c1ccc(C(C)(C)C)cc1 28289397 IFZCQJYLGFQZRK-FQEVSTJZSA-N 354.494 3.782 0 40 FHAB CC(=O)N[C@@H](CC(=O)Nc1ccc2oc(C)nc2c1)c1ccc(C)cc1 10321316 IOGLKCLTDBPZLI-KRWDZBQOSA-N 351.406 3.651 0 40 FHAB CN(CCO)c1ncnc2scc(-c3ccc(Br)cc3)c12 12770730 QACKGIUHPVLAJD-UHFFFAOYSA-N 364.268 3.549 0 40 FHAB Cc1ccccc1NC(=O)CSc1nncn1CCc1cccs1 11105224 DPYWNWOCXNODQV-UHFFFAOYSA-N 358.492 3.622 0 40 FHAB CCN(Cc1cccc(NC(=O)c2cccc(C)n2)c1)C(=O)C(F)(F)F 36759769 ULCIDQCKGWYLEK-UHFFFAOYSA-N 365.355 3.553 0 40 FHAB CCN(CC(=O)NC(C)(C)C)c1ncnc2sc3c(c12)CC[C@@H](C)C3 3388946 VUOJMUFHTOYMLR-GFCCVEGCSA-N 360.527 3.557 0 40 FHAB CCOC(=O)CCCCCC(=O)c1cccc(I)c1 2580297 GLLALNJEZNPEMR-UHFFFAOYSA-N 374.218 3.988 0 40 FHAB Cc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)cc1C 11913930 QULWLFJHAGEBNI-UHFFFAOYSA-N 353.809 3.755 0 40 FHAB CC[C@@H]1CCCCN1C(=O)CSc1nnc(-c2sc(C)nc2C)o1 37149319 RKGWDSJKMOYMIT-GFCCVEGCSA-N 366.512 3.693 0 40 FHAB Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)C2CCOCC2)n1 60674557 ROWPATMWDQXFIR-UHFFFAOYSA-N 367.371 3.873 0 40 FHAB CC(C)c1ccc(-c2csc(NC(=O)Cn3cnnn3)n2)c(C(C)C)c1 12812453 KVJMELFBFNCDJJ-UHFFFAOYSA-N 370.482 3.682 0 40 FHAB COc1ccccc1NC(=O)NCc1c(C)nn(-c2ccccc2)c1C 12852813 TXPUVZOOAWOOCK-UHFFFAOYSA-N 350.422 3.819 0 40 FHAB CN1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2cccc(F)c2)CC1 3553057 IDBAMXHGGSWDOD-VMPITWQZSA-N 373.859 3.883 0 40 FHAB Cc1ccc(CNC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1 12980909 IQKYMWGUCPGEGH-UHFFFAOYSA-N 368.502 3.640 0 40 FHAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)/C=C/c1ccc(F)cc1 5021018 HVZOTFSHGDXUMP-QAWDHVRNSA-N 350.437 3.982 0 40 FHAB CCCN1CCn2c(nc3cc(NC(=O)c4ccccc4OC)ccc32)C1 13725066 AKEQHHVQAOFTQN-UHFFFAOYSA-N 364.449 3.523 0 40 FHAB Cn1c(SCC(=O)c2ccc(F)cc2F)nnc1-c1ccccc1F 14076640 SPPQGQZHZKAEKZ-UHFFFAOYSA-N 363.364 3.874 0 40 FHAB O=C(c1ccc(-n2cncn2)cc1)N1CC=C(c2c[nH]c3ccccc23)CC1 14141688 FQRJKPGGXKACPA-UHFFFAOYSA-N 369.428 3.678 0 40 FHAB O=C(CCCc1nc2ccccc2s1)NC[C@H](C(=O)O)c1ccccc1 95425547 WYPBTZDVJXKYNP-HNNXBMFYSA-N 368.458 3.604 0 40 FHAB Cc1cc(OCC(=O)Oc2c(C)cc(Br)cc2Cl)no1 6507896 QLXWHRQTOFHEFA-UHFFFAOYSA-N 360.591 3.692 0 40 FHAB COc1ccc(C2=CCN(C(=O)[C@H](C)Oc3cccc(C(C)=O)c3)C2)cc1 95456661 IIJURCPOWPWEBD-INIZCTEOSA-N 365.429 3.591 0 40 FHAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(F)cc1F 14574465 LMLCXOJBWSYEJH-UHFFFAOYSA-N 368.265 3.817 0 40 FHAB Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)cc1Cl 4705565 DGBGYJYMGGKILX-UHFFFAOYSA-N 359.838 3.616 0 40 FHAB O=C(COC(=O)c1c(F)cccc1F)Nc1ccc(N2CCCCC2)cc1 6831024 WFPQKMWIKZILBF-UHFFFAOYSA-N 374.387 3.751 0 40 FHAB O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1Cl)c1cccc(-n2ccnc2)n1 96008227 JXMPOBPHEPDWRR-SWLSCSKDSA-N 373.243 3.860 0 40 FHAB c1ccc(N2CCN(c3nccn4nc(-c5cccs5)cc34)CC2)cc1 67285231 SNVXQRRUFBDYBC-UHFFFAOYSA-N 361.474 3.784 0 40 FHAB COc1ccc(S[C@H](C)C(=O)NCCSC(C)(C)C)cc1OC 20040499 LLTQGZRIUOMFOL-GFCCVEGCSA-N 357.541 3.832 0 40 FHAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(Br)s1 7306072 WQIIRLDUCJEENT-VIFPVBQESA-N 358.282 3.651 0 40 FHAB COc1cccc(CN(C)C(=O)c2ccc(Br)s2)c1OC 7990914 PNLIUDMAQLDAMY-UHFFFAOYSA-N 370.268 3.800 0 40 FHAB CSc1cccc(NC(=O)COC(=O)CSc2ccc(F)cc2)c1 7974083 ALBRLJWOOHWZLE-UHFFFAOYSA-N 365.451 3.822 0 40 FHAB C[C@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1ccco1 8163051 HCVAPOTVPRLPPS-LBPRGKRZSA-N 352.419 3.630 0 40 FHAB O=S(=O)(CCN1CCc2ccccc2C1)c1cc(Cl)ccc1Cl 23760912 YQUWTSIQMFKJDP-UHFFFAOYSA-N 370.301 3.825 0 40 FHAB Cc1ccc(OCc2nn3c(COc4ccc(F)cc4)nnc3s2)cc1 8393424 ZTELOPGTZNUHKT-UHFFFAOYSA-N 370.409 3.791 0 40 FHAB O=C(CSc1nnc(-c2cccs2)o1)N1CCC(c2ccccc2)=N1 8314880 SZVQXXBSLBSNSA-UHFFFAOYSA-N 370.459 3.527 0 40 FHAB C[C@H](Oc1ccccc1)c1nnc(SCC(=O)c2ccccc2)n1C 8388751 COFVKPMMLNCBKU-AWEZNQCLSA-N 353.447 3.930 0 40 FHAB Cc1ccc(-c2nc(CC(=O)N3CC[C@@H](C(C)(C)C)[C@H](O)C3)cs2)o1 95464977 BRNCFUSBNAJOPV-HUUCEWRRSA-N 362.495 3.510 0 40 FHAB COc1ccc(-c2ccc(CNC(=O)CSc3nccn3C)cc2)cc1 76041787 ZWMYJSVHUZCGPQ-UHFFFAOYSA-N 367.474 3.504 0 40 FHAB CC(C)N1CC[C@]2(c3ccccc3)CCN(Cc3ccncc3)C(=O)C[C@@H]12 306139890 UDMSCPZDEJHFCF-GGAORHGYSA-N 363.505 3.625 0 40 FHAB C[C@@H](NC(=O)CCc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 31497549 QYLHIGAEAJGWRL-CYBMUJFWSA-N 365.882 3.554 0 40 FHAB Cc1cc(C)c(C)c(OCC(=O)NCCCN2CCCc3ccccc32)c1 218970459 OLXDZOQZYYHZHL-UHFFFAOYSA-N 366.505 3.950 0 40 FHAB Cc1cc([C@H]2CCCN2CCOc2ccc(C(=O)O)cc2Cl)on1 565104466 RVFPDGISWAMAAK-CQSZACIVSA-N 350.802 3.551 0 40 FHAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc2c(c1)C(=O)NCC2 70638286 SMZPQLLGWFIFMV-UHFFFAOYSA-N 356.425 3.821 0 40 FHAB CCCC(=O)Nc1ccc(C)c(OCc2cc(=O)n3ccc(C)cc3n2)c1 33068053 HRDFTBOICCMQSM-UHFFFAOYSA-N 365.433 3.629 0 40 FHAB O=C(O)c1ccc2nc(-c3cccc(I)c3)[nH]c2c1 37400888 SCWBYEJUPHVRRM-UHFFFAOYSA-N 364.142 3.533 0 40 FHAB Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(Cc3cccnc3)C2)n1 72345953 XNRRKZXLHWVZJW-QGZVFWFLSA-N 363.440 3.640 0 40 FHAB Cc1cccc(N(CC(=O)O)S(=O)(=O)c2ccc3ccccc3c2)c1C 225052141 BXGBXBBZLFQWAB-UHFFFAOYSA-N 369.442 3.737 0 40 FHAB CC[C@H](C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1)c1ccccc1 40089803 BAOVIIWMMHTYKG-QFIPXVFZSA-N 365.521 3.956 0 40 FHAB CSc1ccc(S(=O)(=O)NCCOc2ccc(C)c(Cl)c2)cc1 224142518 RXWNFKXHTGYWST-UHFFFAOYSA-N 371.911 3.728 0 40 FHAB Cc1ccc(CN(C(=O)Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225534245 JQNGOWMJTBCFJQ-KRWDZBQOSA-N 370.468 3.619 0 40 FHAB Cc1cccc(CNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)c1 224891196 WUPCTLUTRHEBKR-STZFKDTASA-N 374.440 3.984 0 40 FHAB COC(=O)c1ccc(C)c(NC(=S)NC2(c3ccccn3)CCCC2)c1 225856244 UALIISDAEHASNP-UHFFFAOYSA-N 369.490 3.933 0 40 FHAB COc1ccccc1Oc1ccc(NC(=S)NCc2cccnc2)cn1 223941156 LBAQTFSLRMNCFG-UHFFFAOYSA-N 366.446 3.764 0 40 FHAB CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCN(C(=O)Nc2ccccc2)C1 572702797 MIPSDYQLVMXBEF-BPQIPLTHSA-N 358.486 3.561 0 40 FHAB COc1ccc(-c2noc(CNC(=O)CCc3ccc(C)c(C)c3)n2)cc1 222891678 FXKIGJLIXDGJJJ-UHFFFAOYSA-N 365.433 3.611 0 40 FHAB CC[C@@H]1CCCCN1CCCNC(=O)COc1ccc2c(c1)CCCC2 222818113 FQFDGTXDNCGGTA-HXUWFJFHSA-N 358.526 3.715 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 223105832 HDHJIHPSOMFHFX-NRFANRHFSA-N 366.505 3.708 0 40 FHAB CCC[C@H](C)NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1 224261983 CHVVFUJBCKCPTA-INIZCTEOSA-N 374.506 3.739 0 40 FHAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1cc(OC)ccc1OC 225372634 TWEXFRMRXBMJBT-RHSMWYFYSA-N 373.449 3.747 0 40 FHAB COC(=O)c1cc(NC(=S)NCCCOC2CCCC2)ccc1Cl 225619975 HXEVKBCBWUOJBK-UHFFFAOYSA-N 370.902 3.762 0 40 FHAB CC(C)c1cc(C(=O)NCc2nc3ccccc3[nH]2)n(-c2ccccc2)n1 96116836 UBUBDXDOCHTLSM-UHFFFAOYSA-N 359.433 3.802 0 40 FHAB C[C@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)N1[C@@H](C)CCC[C@@H]1C 230018649 PZEKONNQSHIONF-AVGNSLFASA-N 369.494 3.776 0 40 FHAB C[C@](Br)([C@@H](O)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O 96521213 OHCJDNOIADKDHL-JKSUJKDBSA-N 369.280 3.543 0 40 FHAB Cc1ccc(-n2ccc(=O)c(-c3nc(-c4ccc(C)c(C)c4)no3)n2)cc1 98212052 SSNTZMWVCQTUJW-UHFFFAOYSA-N 358.401 3.875 0 40 FHAB Cc1cccc(COC[C@@H]2C[C@@H]3OCCN(Cc4ccsc4)[C@@H]3C2)n1 247896740 XODIJQKKRQVUFQ-SXLOBPIMSA-N 358.507 3.648 0 40 FHAB Cc1noc(C)c1-c1ccc([C@@H]2CCCN2C(=O)Cc2cccnc2)nc1 257204776 AWGGDYPOIGLNOR-IBGZPJMESA-N 362.433 3.655 0 40 FHAB CC1(C)C[C@]1(NC(=O)Nc1ccccc1CS(C)(=O)=O)c1ccccc1 665896696 QPQOMMVEPBEAPK-FQEVSTJZSA-N 372.490 3.678 0 40 FHAB O=C(NC[C@](O)(c1ccoc1)c1ccco1)c1cc2ccccc2s1 390826290 HHPOWOOXCJIHJX-IBGZPJMESA-N 353.399 3.753 0 40 FHAB Cn1cncc1-c1cncc(C2CCN(Cc3c[nH]c4ccccc34)CC2)n1 585182397 HZWUFUKILQEYQS-UHFFFAOYSA-N 372.476 3.738 0 40 FHAB Cc1cc(C)cc(C(=O)N2CCC[C@]3(CC2)CCN(CC2CC2)C3=O)c1 585103008 KTMCTIWOGXVYNR-QFIPXVFZSA-N 354.494 3.558 0 40 FHAB Cc1cc(-c2ncc[nH]2)nc([C@H]2CCCCN2C(=O)c2cccc(F)c2)n1 585182476 HOWABRALVLXGJS-QGZVFWFLSA-N 365.412 3.682 0 40 FHAB Clc1ccccc1CN1CC2(C[C@H](OCC3CCOCC3)CS2)C1 585105312 SVPNQUTWKPTNJR-KRWDZBQOSA-N 367.942 3.843 0 40 FHAB CC(C)(C)OC(=O)N[C@H](CCC(=O)c1ccccc1)C(=O)OC(C)(C)C 83259253 GQSXJAJHFGIAJQ-OAHLLOKOSA-N 363.454 3.885 0 40 FHAB in-vitro O=C(NC[C@@H]1CCCN1CC1CCCCC1)Nc1ccc2c(c1)OCO2 89807621 KMDSJCDETRZXHK-KRWDZBQOSA-N 359.470 3.582 0 40 FHAB O=C1C[C@H](C(=O)c2ccccc2)NC(Nc2ccc(Cl)cc2Cl)=N1 1051887 PIBMFKXZXYLQER-CQSZACIVSA-N 362.216 3.533 0 40 FHAB O=C1C[C@@]2(CCCN(Cc3ccsc3)CC2)Nc2ccccc2CN1 1615525308 CFNPCIDYZZNQKK-FQEVSTJZSA-N 355.507 3.605 0 40 FHAB Cc1ccccc1/C=C/c1nc(SCC(=O)NC2CCCCC2)n[nH]1 12844804 VKZGBCGGIJEAOB-VAWYXSNFSA-N 356.495 3.825 0 40 FHAB CSc1ccc(S(=O)(=O)NCCCc2ccccc2Cl)cc1 13646427 PLEFKBVYCNOMEK-UHFFFAOYSA-N 355.912 3.973 0 40 FHAB CC[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(C(C)C)c2nncn2n1 19715229 WHRBQKFJOCALGL-KRWDZBQOSA-N 355.417 3.610 0 40 FHAB Cc1cc(C(=O)N[C@H](CC(C)C)c2ccccc2)ccc1NS(C)(=O)=O 19933354 IKBMSMWCNFMQSW-LJQANCHMSA-N 374.506 3.884 0 40 FHAB O=C(Nc1cccc(Cl)c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 16525033 BVVNWCMIJWZIEB-UHFFFAOYSA-N 370.840 3.852 0 40 FHAB CC(=O)N1CCN(C2CCCC2)C[C@@H](Cc2cnc3ccccc3c2)C1 2037834658 AGKSGVLETDQILX-IBGZPJMESA-N 351.494 3.500 0 40 FHAB C[C@H]1CC[C@H](C(=O)N2CCC3(CC2)C[C@H](OCc2cccnc2)CO3)CC1 1565555824 QEHNLKJYZPLESG-IHPCNDPISA-N 372.509 3.575 0 40 FHAB O=C(Nc1cccc(Cl)c1)c1ccc(N2CCCCS2(=O)=O)cc1 5438398 WUQICMLZJGZUJI-UHFFFAOYSA-N 364.854 3.522 0 40 FHAB S=c1[nH]nc(Cc2c[nH]c3ccccc23)n1-c1ccc2c(c1)OCCO2 5804686 RAKHTPBSMWEHEI-UHFFFAOYSA-N 364.430 3.773 0 40 FHAB CCn1nccc1C(=O)Nc1cc(-c2ccccc2)sc1C(=O)OC 11695987 RPPHZCHWFWWEFZ-UHFFFAOYSA-N 355.419 3.670 0 40 FHAB COc1ccc2cc(S(=O)(=O)c3ccc(C)c(Cl)c3)c(=O)oc2c1 15828684 CVQILTFGFRRTMT-UHFFFAOYSA-N 364.806 3.596 0 40 FHAB CCCCc1nnc(SCCCOc2cccc(C(=O)O)c2)n1CC 8731782 OCUWQWSVKIOAQW-UHFFFAOYSA-N 363.483 3.900 0 40 FHAB CCCOC(=O)c1ccc(Oc2cn[nH]c2-c2ccc(O)cc2O)cc1 18152988 CRPJJPYSSBAAHW-UHFFFAOYSA-N 354.362 3.847 0 40 FHAB COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)c1ccco1 6849657 LBJSBAVMHKMSEJ-PBEJRMEISA-N 355.434 3.797 0 40 FHAB biogenic COc1cc2cc(C(=O)Nc3ccc(F)cc3F)[nH]c2c(OC)c1OC 40082788 URKIFXIISAZJPH-UHFFFAOYSA-N 362.332 3.724 0 40 FHAB Fc1ccc(-c2[nH]ncc2CNCc2ccccc2Cn2ccnc2)cc1 40091400 QKEBWQQBSMVELD-UHFFFAOYSA-N 361.424 3.750 0 40 FHAB COC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(COC(C)C)cc1 40040679 KPZYPWWIAXSGMU-UHFFFAOYSA-N 353.418 3.601 0 40 FHAB COC(=O)C(C)(C)NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 30578756 RJNSSVGPTAGBIR-UHFFFAOYSA-N 366.392 3.722 0 40 FHAB O=C(NCc1ccnc(-n2cccn2)c1)Nc1ccc(Cl)c(Cl)c1 31663535 OAIYPWTZASFMCX-UHFFFAOYSA-N 362.220 3.896 0 40 FHAB O=C(NCCCN1CCc2ccccc2C1)c1ccccc1Br 32398794 WWEFCUVAALPDAO-UHFFFAOYSA-N 373.294 3.627 0 40 FHAB CCCCn1c(SCc2csc(-c3ccc(C)o3)n2)n[nH]c1=O 32327165 YJWKETCSZQYDPH-UHFFFAOYSA-N 350.469 3.689 0 40 FHAB C[C@@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1nc2ccccc2[nH]1 32741008 LBVUIWHIJXIKNX-CYBMUJFWSA-N 374.400 3.899 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCCN(C[C@@H]2CCCO2)CC1 32912558 VJZVSLXBENPBHD-AWEZNQCLSA-N 372.296 3.712 0 40 FHAB CCN(CC)CCN[C@H](C(=O)Nc1cccc(C(C)=O)c1)c1ccccc1 22037503 YTGKMIKBHOVMKM-NRFANRHFSA-N 367.493 3.500 0 40 FHAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3O)o2)cc1 873498 PJCUJNFCNOBCGG-UHFFFAOYSA-N 371.418 3.572 0 40 FHAB Cc1cc(C)cc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)[nH]2)c1 1368231 FARSDUCQKQGAST-UHFFFAOYSA-N 373.503 3.949 0 40 FHAB COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C)cc1 2238660 CQAWPAILYIBTDN-MRXNPFEDSA-N 355.777 3.630 0 40 FHAB COc1ccccc1N1CCN(C(=O)Cc2cccc3ccccc23)CC1 2658273 PJXSYCFWDYJTBZ-UHFFFAOYSA-N 360.457 3.740 0 40 FHAB COc1ccc(Cl)cc1NC(=O)c1nnn(-c2ccc(C)cc2)c1C 2713199 SDDOZLHJGLUHIE-UHFFFAOYSA-N 356.813 3.798 0 40 FHAB CCSc1nc2ccccc2n1CC(=O)Nc1cccc(C(C)=O)c1 3223145 DIJXCFPWVYBFRJ-UHFFFAOYSA-N 353.447 3.990 0 40 FHAB CN(C)c1ccc(C(=O)OCC(=O)c2cccc(C(F)(F)F)c2)cc1 3228553 XVGPYMICTMZDPU-UHFFFAOYSA-N 351.324 3.811 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(OC)c(Cl)c2)c1C 3472444 XEYGLIOLHTXTGA-UHFFFAOYSA-N 350.802 3.723 0 40 FHAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)CCc4ccccn4)[C@H]3C=C12 3999464 WKHUDKYPKFTYKS-IVVFSKFDSA-N 368.521 3.870 0 40 FHAB biogenic Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)NC3(C)C)cc1 4275253 UGFWTLOPKVJLIV-UHFFFAOYSA-N 371.506 3.567 0 40 FHAB CC(C)(C)c1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)O)cc1 4535135 JQSKATLDGWRCGE-YBEGLDIGSA-N 367.401 3.568 0 40 FHAB COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCCO3)cc1 4597382 FKCLJEKUWGLZBK-UHFFFAOYSA-N 374.400 3.920 0 40 FHAB O[C@@]1(C(F)(F)F)[C@H]2CCCCC2=NN1c1nc(-c2ccccn2)cs1 4916032 ZVOIOUBKMZZODN-ZUZCIYMTSA-N 368.384 3.822 0 40 FHAB Cc1ccc(-c2nnn(CC(=O)Nc3ccc(Cl)cc3Cl)n2)cc1 5036468 PELGNJGFIUJDAY-UHFFFAOYSA-N 362.220 3.594 0 40 FHAB CC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 6213754 RYCJNSMAGRYRQX-OAHLLOKOSA-N 360.479 3.633 0 40 FHAB O=C(Cn1ccc2cc(Br)ccc21)NCCc1ccccc1 6257883 ODKPWKAQEBUKNW-UHFFFAOYSA-N 357.251 3.763 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1nc2ccc(C)cc2s1 6508950 XEJXWXAMHDBLOI-UHFFFAOYSA-N 370.430 3.833 0 40 FHAB COc1cccc([C@]2(C)NC(=O)N(Cc3cccc4ccccc34)C2=O)c1 6509770 GTXOREPVQXSMCU-QFIPXVFZSA-N 360.413 3.816 0 40 FHAB COc1ccc(C(C)=O)cc1CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O 6628103 MDQVNTSMDSHSKB-ASSNKEHSSA-N 372.465 3.535 0 40 FHAB CCN(CC)c1ccc(NC(=S)NC(=O)COc2ccccc2)c(C)c1 6629927 GLMUSHJMRFXMQT-UHFFFAOYSA-N 371.506 3.733 0 40 FHAB O=S(=O)(c1ccccc1)N1CCc2nc(-c3ccccc3)sc2C1 6662463 WEVQCKFYABFWSC-UHFFFAOYSA-N 356.472 3.557 0 40 FHAB CC(=O)c1ccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 7055685 UZNUPBCKWGPMGK-UHFFFAOYSA-N 361.323 3.896 0 40 FHAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)c(OC)c1 7056807 PUKSSBDWZRVJSA-JTQLQIEISA-N 352.793 3.935 0 40 FHAB C[C@@H](NC(=O)COc1ncnc2sccc12)C12CC3CC(CC(C3)C1)C2 7156680 GENQPARQGHICKG-JSFDKUKPSA-N 371.506 3.791 0 40 FHAB CCOc1ccc(/C=C(\Sc2nnc(CC)[nH]2)C(=O)O)cc1Cl 7342521 FCYVWDCPQFQFBI-WQLSENKSSA-N 353.831 3.637 0 40 FHAB Cc1ccc(-c2noc(CCC(=O)N[C@@H]3CCOc4ccccc43)n2)cc1 7964786 SRIZVJCLVFSBJU-QGZVFWFLSA-N 363.417 3.618 0 40 FHAB CCN(CC)C(=O)c1cccc(NC(=O)CSc2nc(C)cs2)c1 8505536 ANCWRXGIAKAPDM-UHFFFAOYSA-N 363.508 3.664 0 40 FHAB CCOC(=O)/C=C/c1ccc(NC(=O)c2ccc(Br)o2)cc1 8944229 BTIOVHKNBHUHIC-BJMVGYQFSA-N 364.195 3.871 0 40 FHAB Cc1ccc(S(=O)(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1C 9494401 DPFQETABGCTJEI-INIZCTEOSA-N 365.520 3.735 0 40 FHAB COc1ccc([C@H]2CCCN2CC(=O)Nc2ccc(C(C)=O)cc2)cc1 9577651 JKAGGHZYULTRBV-HXUWFJFHSA-N 352.434 3.673 0 40 FHAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc4ccccc4n32)cc1Cl 9668778 LUDVOQKCPJIMFN-OAHLLOKOSA-N 354.797 3.520 0 40 FHAB C[S@@](=O)Cc1cccc(C(=O)NCCc2ccc(Cl)cc2Cl)c1 9996155 DTYJDDUVAIXLSU-QHCPKHFHSA-N 370.301 3.844 0 40 FHAB COc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)s2)c(O)c1 10105282 ATDUJLOOTPNKIE-UHFFFAOYSA-N 360.460 3.824 0 40 FHAB CCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccc(O)c3)=NN12 10214124 KZBDEBINOOCCMS-FQEVSTJZSA-N 363.461 3.748 0 40 FHAB CCc1ccc(CCC(=O)Nc2ccccc2C(=O)NCCCOC)cc1 10367236 QOZVPEXPSZINHM-UHFFFAOYSA-N 368.477 3.587 0 40 FHAB COc1ccc(NC(=O)[C@@H](Sc2nnc(-c3ccc[nH]3)o2)C(C)C)cc1 11277505 LUBGXPIULHZGPM-HNNXBMFYSA-N 372.450 3.829 0 40 FHAB COCc1ccc(C(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)cc1 11549065 XNCRDDFBCSNRAD-LJQANCHMSA-N 355.434 3.828 0 40 FHAB O=C(C1CCCC1)N1CCN(c2ccc(-c3ccc(Cl)cc3)nn2)CC1 11695268 PTWYMUXJYDXXFZ-UHFFFAOYSA-N 370.884 3.636 0 40 FHAB Cn1cccc1[C@H](CNC(=O)Cc1ccc(Cl)cc1)N1CCCCCC1 11846221 MXNZMDGEKUQOFO-FQEVSTJZSA-N 373.928 3.955 0 40 FHAB CCCC(=O)N1CCC[C@@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 12123439 RWKSBDCNHLMPAS-OAHLLOKOSA-N 367.453 3.507 0 40 FHAB CCC[C@@H]1c2cccn2CCN1C(=O)c1cc2ccc(OC)cc2n1C 12148688 LWMCGEAFXNYLHC-GOSISDBHSA-N 351.450 3.986 0 40 FHAB C[C@H]1CN(c2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3)n2)C[C@@H](C)O1 12221178 LZJCDBPMPHZWCU-BETUJISGSA-N 369.856 3.801 0 40 FHAB CCc1cccc(OCC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 12519948 WCVYPTIEQVNLLC-UHFFFAOYSA-N 363.461 3.910 0 40 FHAB COc1ccc(CCNC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1 12809395 OOPPBOKAGOAODT-UHFFFAOYSA-N 369.852 3.815 0 40 FHAB CCCCc1ccc(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 12888295 UTNWDLAALUUTBI-UHFFFAOYSA-N 354.381 3.868 0 40 FHAB COCCCNC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 12898774 WHOREKVHHUWZPY-UHFFFAOYSA-N 369.852 3.959 0 40 FHAB Nc1c(C(=O)c2ccc(F)cc2)sc2nc3c(cc12)N1CCC3CC1 12957533 QJFSRWDAUFWQCV-UHFFFAOYSA-N 353.422 3.946 0 40 FHAB CN(Cc1ccccc1Br)C(=O)/C=C/c1ccc2c(c1)OCO2 13001648 YXLKOVKGJIIKDL-VQHVLOKHSA-N 374.234 3.850 0 40 FHAB COC(=O)c1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)cc1 13281383 JRHYTFDGNPAZEZ-UHFFFAOYSA-N 355.419 3.534 0 40 FHAB COc1ccc(CCc2nnc3sc(-c4ccccc4)nn23)cc1OC 13734255 QWMKUMIGURXGOY-UHFFFAOYSA-N 366.446 3.655 0 40 FHAB CCOC(=O)c1sc(NC(=O)c2c(C)noc2C)nc1-c1ccccc1 14183520 OLFYAISVAIULNP-UHFFFAOYSA-N 371.418 3.844 0 40 FHAB CCOC(=O)c1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c(=O)oc1C 14291666 HQQLVHSAQKXTBX-UHFFFAOYSA-N 357.406 3.675 0 40 FHAB CCOc1cccc2cc(C(=O)NC(C)=O)/c(=N/c3ccccc3C)oc12 17130790 BIIBACUEMXSRMU-LNVKXUELSA-N 364.401 3.649 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)c2cn3cc(C)ccc3n2)c(OC)c1 19234345 KSXLSPWXUOJMPO-SFHVURJKSA-N 365.433 3.637 0 40 FHAB Fc1ccc(CN2CCC(c3nnc(-c4ccncc4)o3)CC2)cc1F 19292882 SEHSJLTZAPYVCR-UHFFFAOYSA-N 356.376 3.789 0 40 FHAB CN(Cc1c(F)cccc1Cl)C(=O)c1cccc(N2CCCC2=O)c1 19310511 FIWHSMKXYBBWGK-UHFFFAOYSA-N 360.816 3.878 0 40 FHAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1Cl)c1cccnc1 19349773 NKYOXMYQUCSTSX-GOSISDBHSA-N 366.852 3.787 0 40 FHAB O=C(Cc1ccccc1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 19370141 ZTNQBFUABGUDCA-UHFFFAOYSA-N 353.447 3.747 0 40 FHAB COc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc1OC 22088161 GEAINUOFCHTYDS-UHFFFAOYSA-N 363.417 3.631 0 40 FHAB Oc1c([C@@H](c2ccccc2)N2CCc3ccccc3C2)sc2ncnn12 22609220 SQGAXWZVRYTQSD-QGZVFWFLSA-N 362.458 3.644 0 40 FHAB COc1cccc([C@@H](c2sc3ncnn3c2O)N2C[C@H](C)C[C@@H](C)C2)c1 22609841 UMFZSOKLQBKPFH-IOASZLSFSA-N 372.494 3.572 0 40 FHAB COC[C@H](C)NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 22870337 LKABNVLAPNXVNY-LBPRGKRZSA-N 359.813 3.550 0 40 FHAB CCOC(=O)c1sc(NC(=O)c2cc3c(C)nn(C)c3s2)cc1C 23039010 USXPZZPXPLXTPL-UHFFFAOYSA-N 363.464 3.742 0 40 FHAB Cc1cccc(-c2noc(CS(=O)(=O)c3ccc(Cl)s3)n2)c1 23125831 VZRJROOSHLMFLY-UHFFFAOYSA-N 354.840 3.734 0 40 FHAB COc1ccc(NC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc1 23234289 YFUPBZGJXYZHPA-UHFFFAOYSA-N 364.449 3.879 0 40 FHAB Cc1noc(-c2ccc(C(=O)Nc3cccc(Cn4ccnc4)c3)cc2)n1 25178396 WFJLSKNUBBAZKB-UHFFFAOYSA-N 359.389 3.542 0 40 FHAB Cc1nc(SCC(=O)c2ccc3c(c2)CCO3)n(C[C@@H]2CCCO2)c1C 26266904 URCXIYMPBSCUSS-KRWDZBQOSA-N 372.490 3.589 0 40 FHAB CC[C@H](CNC(=O)CCn1c(=O)n(CC)c2ccccc21)c1ccccc1 27014579 WYLNQCDMVRNEHK-QGZVFWFLSA-N 365.477 3.523 0 40 FHAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-n3cccc3)cc2)cc1 28221100 UXDHFBIMNPDGBR-OAHLLOKOSA-N 356.447 3.525 0 40 FHAB COc1cc(OC)c(NS(=O)(=O)c2ccc(SC)cc2)cc1Cl 30954989 PXKXYTIEYZGZQI-UHFFFAOYSA-N 373.883 3.880 0 40 FHAB Cc1cc(C)c(OCC(=O)O[C@H](C)C(=O)N(C)Cc2ccccc2)c(C)c1 32945563 AWBGIIZJGYFFHE-GOSISDBHSA-N 369.461 3.581 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)Nc1cc2c(cc1F)CCC(=O)N2 33217801 OMVWWIIWPDQPMB-UHFFFAOYSA-N 351.381 3.763 0 40 FHAB COc1cc(CNC(=O)c2ccc(C)c(F)c2)ccc1OC[C@H]1CCCO1 36390483 UUFPQJBAPWAHLG-QGZVFWFLSA-N 373.424 3.631 0 40 FHAB Cn1c(CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)nc2ccccc21 36753024 PJSVDKMZZISKCI-INIZCTEOSA-N 359.477 3.904 0 40 FHAB O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 38580514 KQKYKWUUVQMRPX-IBGZPJMESA-N 351.402 3.778 0 40 FHAB O=C(NC[C@@H]1CCOC1)c1sc(-c2ccco2)nc1-c1ccccc1 40089170 IORXWGRHNKLQLF-ZDUSSCGKSA-N 354.431 3.836 0 40 FHAB COc1cc(NC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc(OC)c1OC 40096224 NREUFFDGWGXRAA-JTQLQIEISA-N 366.364 3.873 0 40 FHAB CC(C)(C)n1nc2c(c1NC(=O)c1cnc3ccccc3n1)CSC2 42379381 XNABQVPPUNRDEJ-UHFFFAOYSA-N 353.451 3.580 0 40 FHAB COc1ccc(-c2nc([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)no2)cc1 44421702 PMOQMKCVPSCEOS-CYBMUJFWSA-N 369.808 3.919 0 40 FHAB COc1ccc(-c2noc(COC(=O)c3ccc(Cl)cc3OC)n2)cc1 44836950 WANDSSIJGJDXFF-UHFFFAOYSA-N 374.780 3.764 0 40 FHAB CCCCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F 46079034 LDQWTMFSFGPQAE-UHFFFAOYSA-N 354.425 3.949 0 40 FHAB O=C(Nc1cccc(C(=O)N2CCCc3cc(F)ccc32)c1)[C@H]1CCCO1 46295226 SMPGJSKPKGIDAQ-LJQANCHMSA-N 368.408 3.536 0 40 FHAB Cc1occc1C(=O)NCCCN(Cc1cccnc1)C(=O)OC(C)(C)C 47232741 NXJPIYVRAICZFJ-UHFFFAOYSA-N 373.453 3.540 0 40 FHAB C[C@@]1(c2c(F)cccc2F)NC(=O)N(Cc2ccc(Cl)s2)C1=O 47356161 DBQGXCOMJBNEGK-HNNXBMFYSA-N 356.781 3.647 0 40 FHAB CN(Cc1ccccc1)[C@@H](NC(=O)c1cccs1)C(=O)c1ccccc1 54061432 SZTRKUSRGNABHK-HXUWFJFHSA-N 364.470 3.819 0 40 FHAB O=C(CN1CCN(c2ccccc2Cl)CC1)Nc1ccccc1Cl 54530525 MBYSNZOAZVQWDC-UHFFFAOYSA-N 364.276 3.754 0 40 FHAB C[C@@H](NC(=O)N1CC=C(c2ccc(O)cc2)CC1)c1ccc2c(c1)OCO2 55075825 GTRBHZOCVGAEOB-CQSZACIVSA-N 366.417 3.681 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3ccc(C)c(F)c3)n[nH]2)c(OC)c1 57413045 HBSJXBCYGFUNSD-UHFFFAOYSA-N 355.369 3.794 0 40 FHAB CC[C@@H](NC(=O)CCCNC(=O)OC(C)(C)C)c1ccc(OC)cc1 57979797 VGFXGIUOZFEHDG-MRXNPFEDSA-N 350.459 3.567 0 40 FHAB CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(-n3cncn3)cc2)cc1 58065742 HKNACORNPPEICE-FQEVSTJZSA-N 362.433 3.643 0 40 FHAB CC(C)[C@@H](Sc1nnc(COc2ccccc2Cl)o1)C(=O)N(C)C 58192227 ZMMZBHNZTLYHHX-CQSZACIVSA-N 369.874 3.507 0 40 FHAB COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 58774377 ZUUMFQQGFNDRLK-HNNXBMFYSA-N 362.838 3.566 0 40 FHAB Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NC(C)(C)C)c(C)c1 59288798 GYEHSMAFNZBJSS-UHFFFAOYSA-N 374.506 3.941 0 40 FHAB COC(=O)c1ccc(NC(=O)/C=C/c2cc3cc(OC)ccc3o2)cc1 67339529 WBBHXLRXPGYWNY-CSKARUKUSA-N 351.358 3.880 0 40 FHAB Cc1nc(Cc2nn3c(Cc4ccccc4Cl)nnc3s2)cs1 71285270 ONNCAPLXYVBVKA-UHFFFAOYSA-N 361.883 3.786 0 40 FHAB CSc1nc(Cl)cc(NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 72203262 WTAOOERIRZFVKA-LLVKDONJSA-N 372.922 3.911 0 40 FHAB O=C(C[C@H]1CN(Cc2ccccc2)CCO1)Nc1ccc(Cl)cc1F 72292838 DZPIBVUKBJBIQU-INIZCTEOSA-N 362.832 3.709 0 40 FHAB Nc1cc(-c2c[nH]nc2[C@@H]2CCCN(CCCc3ccccc3)C2)ccn1 72357462 QMCXMSTYYGFBRX-LJQANCHMSA-N 361.493 3.866 0 40 FHAB COc1cccc(-c2cncc(C3CCN(C4CCOCC4)CC3)n2)c1 72359747 PVHWOSMRUCNSGW-UHFFFAOYSA-N 353.466 3.511 0 40 FHAB Fc1ccc(CN2CCCC[C@@H]2c2ccnc(Nc3cnccn3)n2)cc1 72377420 RWIAZUQIMCBBTP-GOSISDBHSA-N 364.428 3.877 0 40 FHAB Fc1cccc(CN2CCC[C@H](c3nnc(-c4ccncc4)o3)C2)c1F 72389965 GONSLVPZOVYTCP-HNNXBMFYSA-N 356.376 3.789 0 40 FHAB C[C@@H]1[C@@H](N2CCCC2)Oc2cc3c(cc2[C@H]1c1ccccc1O)OCO3 73274844 JKQJZONEAFJYTO-DYXDTQHNSA-N 353.418 3.703 0 40 FHAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@H](NS(=O)(=O)c2ccccc2)C1 77200255 FYWWCAXLFMDUFK-DLBZAZTESA-N 374.462 3.525 0 40 FHAB COc1cccc2cc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)oc12 78660753 FXYVLSMRTGFCDX-LBPRGKRZSA-N 353.374 3.704 0 40 FHAB COC(=O)C(C)(C)NC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 84139935 IUVMFAMPZPRTQU-UHFFFAOYSA-N 373.261 3.798 0 40 FHAB C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ccn(C)c1)OCCO3 84718160 WIMYYKRJSOAUOD-HNNXBMFYSA-N 366.461 3.825 0 40 FHAB CN1CC[C@@H](Nc2nc(-c3ccccn3)nc3c2CCC3)[C@@H]1c1ccccc1 89375155 ARNPQFIPIHRIGQ-CTNGQTDRSA-N 371.488 3.885 0 40 FHAB COc1ccc(Nc2nc(C(=O)N3C[C@H](C)OCC3(C)C)cs2)cc1 91114933 GOHHGAMKCHUELB-LBPRGKRZSA-N 361.467 3.535 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H]1c1nnn2cc(Br)ccc12 91302746 VHSWWRNGBUQBRS-NSHDSACASA-N 367.247 3.564 0 40 FHAB COC(=O)c1nn(CC(=O)Nc2c(C)cc(C)cc2Cl)c(C)c1Cl 95373494 XLBNCDJPPSLEBS-UHFFFAOYSA-N 370.236 3.540 0 40 FHAB CCc1n[nH]c(-c2ccccc2NC(=O)c2cc3ccc(OC)cc3[nH]2)n1 95440628 OKHHRQRKYAGIGM-UHFFFAOYSA-N 361.405 3.776 0 40 FHAB O=C(N[C@H]1CCCc2cn(CC(F)(F)F)nc21)c1ccccc1Cl 96002959 ZNKFAHVSDQSOCB-ZDUSSCGKSA-N 357.763 3.906 0 40 FHAB Cc1ccc(CN2CCC3(CC2)NCCn2c(-c4ccccc4)cnc23)o1 96037100 MZPYTKQPYYAHFW-UHFFFAOYSA-N 362.477 3.546 0 40 FHAB O=C(c1cccnc1)N1CC[C@H](OCC2CC2)[C@@H](Cc2ccccc2)C1 96110599 PGJDVVARYDDBFA-SFTDATJTSA-N 350.462 3.582 0 40 FHAB Cc1nc(-c2ccc(F)cc2)nc2c1CCN(C(=O)c1ccsc1)CC2 96254739 KDPNHEBGCHRQSV-UHFFFAOYSA-N 367.449 3.894 0 40 FHAB Cc1ccc(C)c2c1s/c(=N\C(=O)c1cc3ccccc3oc1=O)n2C 100704012 WRALGKMMENUYSD-MRCUWXFGSA-N 364.426 3.704 0 40 FHAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)Nc1nccn1Cc1ccccc1 103685948 DHIMAJICQLLYJV-NFAVZRQZSA-N 365.477 3.591 0 40 FHAB Cc1noc(C)c1CC(=O)NC[C@@](C)(O)c1ccc(-c2ccccc2)cc1 206702412 TUZDWYITMKNGRA-JOCHJYFZSA-N 364.445 3.525 0 40 FHAB CC(C)c1ccc(OCC(=O)NC[C@@H]2CCCN2c2ccccc2)cc1 207988313 RHWHZRZPNWPYNR-FQEVSTJZSA-N 352.478 3.974 0 40 FHAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccs2)N1Cc1ccccn1 223521333 XMDBOCQBGPYPHK-IAGOWNOFSA-N 352.488 3.711 0 40 FHAB CSc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)C(C)C 224030800 MXALIIUXKCOFCJ-UHFFFAOYSA-N 370.540 3.568 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c1 224045340 VZSKQRBIVNVKGY-HZPDHXFCSA-N 357.450 3.965 0 40 FHAB O=C(O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccccc1 224676348 ONCCXARQFNSMNP-UHFFFAOYSA-N 367.426 3.634 0 40 FHAB CCC(CC)NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)cc1 224735449 FSJKVNGEGQVVTM-AQTBWJFISA-N 372.490 3.832 0 40 FHAB O=S(=O)(c1cccnc1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 225658551 REJDTDREZJJFCL-HNNXBMFYSA-N 350.871 3.693 0 40 FHAB CCOC(=O)c1cnc(-c2cccc(N)c2)nc1Nc1cccc(F)c1 226103870 ZOVZBPPFJPWOMJ-UHFFFAOYSA-N 352.369 3.785 0 40 FHAB O=C(c1cnccn1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2F)o1 257270497 MULYSPJQFRLZCW-GOSISDBHSA-N 366.396 3.562 0 40 FHAB Cc1cc(Nc2nc(C)cs2)nc([C@H]2CCCN(C3CCOCC3)C2)n1 257279933 OITUUWMDLNYNME-HNNXBMFYSA-N 373.526 3.652 0 40 FHAB COCCCNC(=O)c1ccccc1NC(=O)CCSc1ccccc1 408576031 QLWBXKJHHSXMFR-UHFFFAOYSA-N 372.490 3.574 0 40 FHAB O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1snc(O)c1Cl 559295688 BQKDDNGUBLSOCF-SECBINFHSA-N 372.702 3.814 0 40 FHAB Cc1ccc(Oc2ccc(NC(=O)C3(C(=O)O)CCOCC3)cc2)cc1 566286248 IYXLYJSOGLCDCI-UHFFFAOYSA-N 355.390 3.607 0 40 FHAB CN(C)[C@@H](CNS(=O)(=O)/C=C/c1ccccc1)c1cc2ccccc2o1 575620310 JKERZUFFBVMBCK-HHNLSAEISA-N 370.474 3.626 0 40 FHAB COc1ccc(Cl)cc1CN1CCN(C(=O)c2cc[nH]c2C2CC2)CC1 585080931 XKLDKTRISJFQNA-UHFFFAOYSA-N 373.884 3.512 0 40 FHAB C[C@H]1C[C@H](C(=O)Nc2nc3ccccc3n2-c2ccccc2F)CCO1 678949081 BTKDHLLYVWGXPO-UONOGXRCSA-N 353.397 3.918 0 40 FHAB Cc1cc(C(=O)N2CC[C@@](O)(c3ccc(F)cc3)C2)c2ccc(F)cc2n1 1116485282 VBQXROGKZCOCEX-NRFANRHFSA-N 368.383 3.555 0 40 FHAB CSc1ccccc1S(=O)(=O)NC[C@@H](O)c1cccc2ccccc12 1309671739 WBHCFOMJEQLWNW-QGZVFWFLSA-N 373.499 3.574 0 40 FHAB Cc1sc2nc(SCc3ccccc3Cl)n(N)c(=O)c2c1C 642594 XOWQJSZAGJBKDL-UHFFFAOYSA-N 351.884 3.734 0 40 FHAB CCN(CC)C(=O)c1sc(NC(=O)c2ccccc2)c(C(=O)OC)c1C 871434 AQEVFZOEOYDRIW-UHFFFAOYSA-N 374.462 3.577 0 40 FHAB COc1ccc(-n2nc3ccc(NC(=O)c4cccc(OC)c4)cc3n2)cc1 885964 ZDRCZZDWSKTSQZ-UHFFFAOYSA-N 374.400 3.690 0 40 FHAB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2)n1C 899430 UTDGOWWFMJGKRS-ZDUSSCGKSA-N 368.462 3.610 0 40 FHAB CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccccc1 963157 PVVUPZVRFDYHQK-HNNXBMFYSA-N 366.490 3.935 0 40 FHAB Cc1ccc([C@@H]2SC[C@@H](C(=O)O)N2C(=O)c2cccc(Cl)c2)cc1 974400 KEHAOGCUVNGZOK-RDJZCZTQSA-N 361.850 3.989 0 40 FHAB CCc1ccccc1NC(=S)N1CCN(c2cccc(OC)c2)CC1 1325652 BMKUTARGHWTVFQ-UHFFFAOYSA-N 355.507 3.777 0 40 FHAB O=C(CN(C(=O)c1ccccc1)C(=O)c1ccccc1)OCc1ccccc1 1707513 AKLBMHHSSBIVOA-UHFFFAOYSA-N 373.408 3.713 0 40 FHAB COC(=O)COc1c(-c2ccccc2Cl)oc2ccc(C)cc2c1=O 1941979 CDOMAKQUWBRKGC-UHFFFAOYSA-N 358.777 3.974 0 40 FHAB O=C(COC(=O)/C=C/c1cccs1)Nc1ncc(Cl)cc1Cl 2622722 SCNFQBRNIDAEMA-ONEGZZNKSA-N 357.218 3.645 0 40 FHAB COC(NC(=O)Nc1cccc(Cl)c1)(C(F)(F)F)C(F)(F)F 3152485 QMFBJPUMOVCGIC-UHFFFAOYSA-N 350.646 3.929 0 40 FHAB O=C(CSc1ccccc1Cl)Nc1ccc(N2CCOCC2)cc1 3218178 XAEWYQDGPDIZHT-UHFFFAOYSA-N 362.882 3.907 0 40 FHAB O=C(COC(=O)Cc1ccsc1)Nc1nc(-c2ccccc2)cs1 3222536 CGLLFJWEVGLFBP-UHFFFAOYSA-N 358.444 3.596 0 40 FHAB O=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccc(Cl)cc1 3249374 NHLDSWNAMMISMW-UHFFFAOYSA-N 354.218 3.737 0 40 FHAB O=C(COC(=O)c1ccc(Cl)cc1)Nc1ccc(Br)cc1 3512267 LKCYUHMERQRVHP-UHFFFAOYSA-N 368.614 3.898 0 40 FHAB CCOc1ccccc1OCC(=O)Nc1ccc2c(C)cc(=O)oc2c1 3558531 NXNOJYVHBFGNNQ-UHFFFAOYSA-N 353.374 3.518 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)c1 4275902 UCPCKBKFFDHSOI-UHFFFAOYSA-N 359.769 3.660 0 40 FHAB O=C(COC(=O)c1cc2c(s1)CCCC2)NCc1ccccc1Cl 4581332 SKBKSUFFTKEUIX-UHFFFAOYSA-N 363.866 3.754 0 40 FHAB C[C@@H]1CCC[C@H](NC(=O)CCC(=O)NC2C3CC4CC(C3)CC2C4)[C@@H]1C 4673208 BTUCYBZERXDADI-AGUMEJEGSA-N 360.542 3.648 0 40 FHAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1OC 4699088 LQTNVUYBCFKFAR-IQGJIOQQSA-N 366.417 3.970 0 40 FHAB Cc1cccc2sc(NC(=O)CCS(=O)(=O)Cc3ccccc3)nc12 4731561 WAAJUBYPGOYOKN-UHFFFAOYSA-N 374.487 3.548 0 40 FHAB CC(C)n1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1ccco1 4736096 UEPQRPQKEJTSEQ-UHFFFAOYSA-N 367.434 3.648 0 40 FHAB O=C(/C=C/c1cccs1)N1CCN(c2nc3ccc(F)cc3s2)CC1 5181308 JYIVPGNQTBZGAJ-GQCTYLIASA-N 373.478 3.859 0 40 FHAB O=C1OCC[C@@H]1Sc1nnc(Cc2cccs2)n1C1CCCCC1 5213035 PMSXKLJFHAPZAJ-AWEZNQCLSA-N 363.508 3.843 0 40 FHAB COc1cccc(Cn2c3ccccc3c3nc4n(c(=O)c32)CCS4)c1 5451437 IPFYUISHHJSLQZ-UHFFFAOYSA-N 363.442 3.514 0 40 FHAB O=C(NCc1cccs1)c1cccc(C(=O)NCc2cccs2)c1 6251102 IZIRHUBEFXTEBJ-UHFFFAOYSA-N 356.472 3.670 0 40 FHAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccn(COc2ccccc2)n1 6927579 PEOOVHIWXJLHSK-UHFFFAOYSA-N 351.450 3.618 0 40 FHAB O=C1c2ccccc2C(=O)N1COc1ccc(Cl)cc1Br 6928004 PMESVSPWYNHNBL-UHFFFAOYSA-N 366.598 3.735 0 40 FHAB CCN1C(=O)/C(=C/c2ccc(OCCOC)c(OC)c2)c2ccccc21 6953654 VOOLIDGVOIYJJD-GHRIWEEISA-N 353.418 3.628 0 40 FHAB Cc1nnc(SCC(=O)N2CCCC[C@H]2C)n1-c1ccc(Cl)cc1 6969505 MKYQLEUXMKVRSX-GFCCVEGCSA-N 364.902 3.722 0 40 FHAB C[C@H](NC(=O)COc1ncnc2sccc12)C12CC3CC(CC(C3)C1)C2 7156678 GENQPARQGHICKG-PGBBXINNSA-N 371.506 3.791 0 40 FHAB O=C(N[C@@H](c1ccccc1)c1cccs1)[C@H]1COc2ccccc2O1 7739243 WLOVKKBFWDXTEW-MJGOQNOKSA-N 351.427 3.794 0 40 FHAB O=C(CSC(=S)N1CCCC1)Nc1ccc(OC(F)(F)F)cc1 7778986 PCGMDDUHLBBKFK-UHFFFAOYSA-N 364.414 3.638 0 40 FHAB CCc1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)cc1 8600890 UWRFDQOQDMRKCU-UHFFFAOYSA-N 373.478 3.678 0 40 FHAB CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(Cl)cc1Cl 8830431 LWLWWVULVLBARG-CYBMUJFWSA-N 359.278 3.692 0 40 FHAB CCC(=O)N1CCc2ccc(NC(=O)CCc3ccc(OC)cc3)cc2C1 9035239 NTDPSYSOEMBQAJ-UHFFFAOYSA-N 366.461 3.561 0 40 FHAB Cc1ccccc1OCC(=O)Nc1ccc2c(c1)CCC(=O)N2CC(C)C 9137780 GKLVPHFMUYHFFW-UHFFFAOYSA-N 366.461 3.948 0 40 FHAB CCc1ccc(-c2csc(NC(=O)CN3CCSC3=O)n2)s1 9389744 UMAXESOUXNAWKG-UHFFFAOYSA-N 353.494 3.541 0 40 FHAB Cc1ccc(S(=O)(=O)N(Cc2nnc(-c3ccccc3)o2)C(C)C)cc1 9390052 DBORNLYSRILMOC-UHFFFAOYSA-N 371.462 3.644 0 40 FHAB CCC[C@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C 10314712 LWUOMOJCRIOIQW-AWEZNQCLSA-N 360.479 3.714 0 40 FHAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(=O)n(Cc2ccccc2)n1 11781272 LQTNEQHKIHCSSR-UHFFFAOYSA-N 374.227 3.851 0 40 FHAB COc1cc(OC)c(C2=CCN(C(=O)C3CCCCC3)CC2)c(OC)c1 11918530 PWXCKEFNZJIOAS-UHFFFAOYSA-N 359.466 3.908 0 40 FHAB CC(C)CC(=O)N1CCC(Cc2cc(-c3ccccc3)no2)(C(=O)O)CC1 12220121 YSKQECANSQHEAY-UHFFFAOYSA-N 370.449 3.624 0 40 FHAB CC(C)n1ncc2cc(NC(=O)c3cncn3-c3ccc(F)cc3)cnc21 12547407 VYMXDACZWFEWQG-UHFFFAOYSA-N 364.384 3.589 0 40 FHAB c1ccc(-[n+]2c(-c3ccc4c(c3)OCCO4)cn3c2SCCC3)cc1 12559961 GCHWDZUCZPEDNJ-UHFFFAOYSA-N 351.451 3.699 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)CCN(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)c1 12743133 YTCPXGLSOWDHBT-FUHWJXTLSA-N 361.507 3.926 0 40 FHAB CC(C)(C)OC(=O)NCc1ccc(C(=O)NCCc2ccccc2)cc1 12748898 WENUKWVTUUAMLN-UHFFFAOYSA-N 354.450 3.684 0 40 FHAB CCc1ccc(NCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 12756868 MTWGAZMDENLKRD-UHFFFAOYSA-N 353.466 3.685 0 40 FHAB O=C(O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2Cl)ccc1F 13367379 YEYQGBXEUQGDPU-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB NC(=O)[C@@H]1CCCN(C(=O)N2c3ccccc3Sc3ccccc32)C1 13574569 XFVITXCDKIWNMZ-CYBMUJFWSA-N 353.447 3.607 0 40 FHAB COc1ccc(CN(Cc2ccc3ncccc3c2)C[C@@H](C)O)cc1OC 13991761 FVULGZYTNNQZRB-MRXNPFEDSA-N 366.461 3.635 0 40 FHAB Cc1cc(Cl)ccc1OCC(=O)NCCc1ccc(-n2cccn2)cc1 14227601 MQHKGKKEESRMBJ-UHFFFAOYSA-N 369.852 3.572 0 40 FHAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(CN2CCCC2=O)c1 15605672 BRFDDKUGOIDCAH-UHFFFAOYSA-N 366.505 3.755 0 40 FHAB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)Nc1ccccc1 16489301 PEQUOEBTGWMGAO-UHFFFAOYSA-N 372.490 3.649 0 40 FHAB Fc1ccc(CCN2CCC(c3nnc(-c4cccnc4)o3)CC2)cc1 19341453 MBJGPLJQEJICJL-UHFFFAOYSA-N 352.413 3.693 0 40 FHAB O=C(NCc1ccccc1N1CCCC1)c1ccccc1CN1CCCC1 19662428 TYFDXOHSHUKUBN-UHFFFAOYSA-N 363.505 3.813 0 40 FHAB CC(C)(CNC(=O)Cc1nc2cc(Cl)ccc2[nH]1)c1ccccc1F 19718983 VWTLSBOFBYSQGQ-UHFFFAOYSA-N 359.832 3.992 0 40 FHAB Fc1cc(F)cc(Cc2nnc3sc(/C=C/c4cccnc4)nn23)c1 20721011 SHHGYIOPUXRJAV-ONEGZZNKSA-N 355.373 3.620 0 40 FHAB Cc1ccc(C)c(-n2ncc3c2N=C(O)C[C@@]32C(=O)Nc3ccccc32)c1 20731855 DEPQBMQYXKOCPU-NRFANRHFSA-N 358.401 3.719 0 40 FHAB Cc1ccc(F)cc1NC(=O)CSc1nnc(-c2ccccc2C)n1C 21753366 QBJRKXBOXIDDKW-UHFFFAOYSA-N 370.453 3.969 0 40 FHAB CNc1nc(S[C@H](C)C(=O)NCC2CCCCC2)nc2ccccc12 24599429 DTSAFCDTAUPLBC-CYBMUJFWSA-N 358.511 3.849 0 40 FHAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc(C)cc3Cl)CC2=O)c1 24832627 HYLAGSMKRJUPHC-ZDUSSCGKSA-N 358.825 3.649 0 40 FHAB Cc1cc(C)c(NC(=O)CNC(=O)Cc2ccc3c(c2)CCCC3)c(C)c1 25040980 VLMHFSYZGZFHQI-UHFFFAOYSA-N 364.489 3.788 0 40 FHAB Cc1noc(C)c1COc1ccc(C(=O)N2CCOc3ccccc32)cc1 25312421 ISJOAYCLQHDHDW-UHFFFAOYSA-N 364.401 3.910 0 40 FHAB C[S@@](=O)Cc1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1 25950451 BJPIUNGLBQFPHW-VWLOTQADSA-N 355.503 3.660 0 40 FHAB COc1ccc(OC)c(NC(=O)Nc2ccn(Cc3ccc(C)cc3)n2)c1 27929526 DEXKSFPIVWVRTF-UHFFFAOYSA-N 366.421 3.901 0 40 FHAB O=C(Oc1ccc2oc3c(c2c1)CCCC3)c1ccc(-n2cnnn2)cc1 29467862 IZMWZCCSCYKMPB-UHFFFAOYSA-N 360.373 3.507 0 40 FHAB Cn1ccnc1[C@H](NC(=O)CCc1ccc(F)cc1)c1cccc(F)c1 29987143 GTMLIUQQUZFFMS-LJQANCHMSA-N 355.388 3.537 0 40 FHAB Cc1cc(C)cc(C(=O)NCc2cccc(NC(=O)c3cccnc3)c2)c1 30668274 RZKJIOWCXNFRTD-UHFFFAOYSA-N 359.429 3.881 0 40 FHAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(CN2CCCC2=O)cc1 31474315 WJTKOKWDJYRHKJ-UHFFFAOYSA-N 363.461 3.662 0 40 FHAB Cc1cc(N)nc(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)n1 31745790 AHQSQGUNVCALTO-LBPRGKRZSA-N 372.494 3.715 0 40 FHAB COc1ccc(CNC(=O)Cn2ccc3cc(Cl)ccc32)cc1OC 32096932 VBACZQPJTGHFIQ-UHFFFAOYSA-N 358.825 3.628 0 40 FHAB CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1ccc(C(=O)NC)cc1 32760335 OYRGQKMXIZTTSH-IZZDOVSWSA-N 362.882 3.823 0 40 FHAB C[C@@H]1Sc2ccc(C(=O)N(C)[C@@H]3CCc4ccccc43)cc2NC1=O 32905624 QOJDHIFVRLBKCC-YVEFUNNKSA-N 352.459 3.879 0 40 FHAB O=C(O)c1cc(F)ccc1NS(=O)(=O)c1cccc(Cl)c1Cl 33047680 RHVTWSUUKPGDLZ-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN1C(=O)c1cccnc1 33133160 BBPBBYDKRMPKNB-HNNXBMFYSA-N 364.232 3.632 0 40 FHAB O=C(CCc1nnc(-c2ccccc2)o1)Nc1ccnn1Cc1ccccc1 39984327 XMDVRIROZUCZRQ-UHFFFAOYSA-N 373.416 3.553 0 40 FHAB COC(=O)c1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)cc1 40268201 LMZCZEHTILTALD-INIZCTEOSA-N 365.364 3.922 0 40 FHAB Cc1ccc(-n2c(C)nc3nc(N4CCCC4)nc(O)c3c2=S)c(C)c1 40386959 PJUBUWRJANNTAN-UHFFFAOYSA-N 367.478 3.776 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)CSc1ccc(OC)cc1 44901691 CQPWYUMPJDVLSE-UHFFFAOYSA-N 358.463 3.566 0 40 FHAB COc1ccc([C@H](C)NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 44950223 PLDTZSKACYPBLF-AWEZNQCLSA-N 360.413 3.686 0 40 FHAB CN(Cc1ccccc1)C(=O)CSc1nc2cc(Cl)ccc2n1C 46882595 XBFAIYOUTYPLFP-UHFFFAOYSA-N 359.882 3.977 0 40 FHAB C[C@H](Sc1nncs1)C(=O)NCc1ccnc(Oc2ccccc2)c1 48262181 NGFRYKSJYGIKIF-LBPRGKRZSA-N 372.475 3.522 0 40 FHAB Cc1cc(C)n(-c2cccc(-c3nn4c(C(F)(F)F)nnc4s3)c2)n1 49544914 LHDPYSIOKMEBND-UHFFFAOYSA-N 364.356 3.674 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1C 53356938 KIVWCWHJKVBLPY-MRXNPFEDSA-N 350.422 3.688 0 40 FHAB Cc1ccc(NC(=O)[C@H](NCc2nnc3ccccn23)c2ccccc2)cc1 57383554 HBDOMMDNOPKSHA-OAQYLSRUSA-N 371.444 3.507 0 40 FHAB CCOc1ccccc1NC(=O)c1cc(-c2ccc(OC)cc2OC)[nH]n1 57412877 TXTIDMLGCITRGJ-UHFFFAOYSA-N 367.405 3.745 0 40 FHAB CC(=O)N[C@@H](CC(=O)N1CCSc2ccccc21)c1ccc(C)cc1 57701342 AQPBLOVDTXQTCP-KRWDZBQOSA-N 354.475 3.701 0 40 FHAB C[C@@H](CNC(=O)Nc1cnc2ccccc2c1)N1CCc2sccc2C1 58087838 HUORRIVGMJEJKU-AWEZNQCLSA-N 366.490 3.865 0 40 FHAB Cc1cn2c(CNCc3cccc(Cn4cccn4)c3)c(C)nc2s1 58418870 QDXMFHPLCPGKNQ-UHFFFAOYSA-N 351.479 3.547 0 40 FHAB O[C@@H](CN1CCC(CN2CCCCCC2)CC1)c1ccccc1Cl 58579814 RBUMBPPXGVCHNO-FQEVSTJZSA-N 350.934 3.961 0 40 FHAB C[C@@H](COCC(F)(F)F)NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 60161219 MNFQCPJQUOJREG-JTQLQIEISA-N 372.309 3.814 0 40 FHAB CC[C@@H](NC(=O)c1ccc([S@](C)=O)cc1)c1nc(-c2ccccc2)c[nH]1 69419129 XYBGMPLBSLNJCV-WGDIFIGCSA-N 367.474 3.695 0 40 FHAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(Cc2ccc(Cl)s2)C1=O 69820821 QDHPTRUGNBEVLA-OAHLLOKOSA-N 356.781 3.647 0 40 FHAB c1ccc(CN2CCCC[C@H]2c2ccnc(Nc3nccs3)n2)nc1 72377658 YCIDCIHRGGGLLO-INIZCTEOSA-N 352.467 3.799 0 40 FHAB Cn1nc(-c2cccc(Cl)c2)cc1C(=O)Nc1nc2c(s1)CCC2 72405614 UCRCUBYNEFKZPT-UHFFFAOYSA-N 358.854 3.938 0 40 FHAB CCOc1ccccc1C(=O)N[C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 78950950 WYQNRELONINZBM-CXAGYDPISA-N 368.433 3.686 0 40 FHAB CC(C)(C)OC(=O)N[C@@H](CCC(=O)c1ccccc1)C(=O)OC(C)(C)C 83259236 GQSXJAJHFGIAJQ-HNNXBMFYSA-N 363.454 3.885 0 40 FHAB Cc1nccc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)n1 84290724 QSCGNKXSBLCONS-UHFFFAOYSA-N 372.856 3.753 0 40 FHAB CNc1nc(S[C@H](Cc2ccccc2)C(=O)OC)nc2ccccc12 89395958 YRIPLJZNHKYNSF-MRXNPFEDSA-N 353.447 3.548 0 40 FHAB Cc1ccc(-n2nnc(C(=O)Nc3cccc(-c4cn[nH]c4)c3)c2C)cc1 89642692 KWPVBQRGAXUPRF-UHFFFAOYSA-N 358.405 3.527 0 40 FHAB O=C(Nc1ccc(N2CCC(O)CC2)cc1)[C@@H]1C[C@@H]1c1ccc(F)cc1 89783294 VZRXIVFBSGUKAR-WOJBJXKFSA-N 354.425 3.529 0 40 FHAB CN(C)C(=O)C[C@H]1CC2(CCN(Cc3nccs3)CC2)c2ccccc21 96079470 VSPBOGVYHJWTCY-INIZCTEOSA-N 369.534 3.643 0 40 FHAB CO[C@]1(CNC(=O)NC(c2ccccc2)c2ccccc2)CCSC1 96097785 WXPJVCDYBKGQPS-FQEVSTJZSA-N 356.491 3.597 0 40 FHAB O=C(O)CCc1ccc(OCc2nc(-c3ccccc3)no2)c(Cl)c1 97166020 FSTOZSRWYHDMLY-UHFFFAOYSA-N 358.781 3.986 0 40 FHAB COC(=O)c1cc(Br)c2nc(Br)sc2c1 98181064 IGPCMYNLOWGHAT-UHFFFAOYSA-N 351.019 3.608 0 40 FHAB O=C(COc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1)c1ccccc1 102592450 BEUONSLXYGXPFM-RTBURBONSA-N 363.413 3.628 0 40 FHAB COc1cc(C(=O)CC(=O)CCC(=O)Nc2ccc(C)c(C)c2)ccc1O 104274010 HDOKLICYCYKFAH-UHFFFAOYSA-N 369.417 3.578 0 40 FHAB O[C@@H](c1ccc(F)cc1)C1CCN(Cc2cnn(-c3ccccc3)c2)CC1 108387565 GPHZJGNIWCEXKO-QFIPXVFZSA-N 365.452 3.957 0 40 FHAB COc1ccc(CNC(=O)CCc2nc(-c3ccccc3Cl)no2)cc1 169890442 QEOIVULKCFBYFH-UHFFFAOYSA-N 371.824 3.648 0 40 FHAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCS[C@H](c2ccco2)CC1 219367390 YGDGOICDOATTDH-IBGZPJMESA-N 367.474 3.845 0 40 FHAB COc1cccc(OCC(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)c1 222794123 AUDPRVTUINLXKD-GOSISDBHSA-N 371.433 3.501 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)COc2ccccc2C(C)(C)C)cc1 222797113 OQGOBAMCNWDADQ-INIZCTEOSA-N 371.477 3.955 0 40 FHAB COc1ccc(F)cc1S(=O)(=O)N(C)Cc1ccc(C(C)C)cc1 223754639 QANQNQSEDLMYHC-UHFFFAOYSA-N 351.443 3.778 0 40 FHAB CCSc1ccccc1C(=O)NCc1cccc(CN2CCOCC2)c1 224742469 UEQBWCDCWLIECW-UHFFFAOYSA-N 370.518 3.561 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)c(C)c1 225092784 GIAYZAPXDWSQDU-LJQANCHMSA-N 367.489 3.935 0 40 FHAB CCOc1ccc2c(c1)nnn2C(=O)COc1c(C)cc(C)cc1Cl 226359855 XUBVYVHDHZYCLR-UHFFFAOYSA-N 359.813 3.819 0 40 FHAB CCc1cccc(C)c1NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 244534794 ZVEOOSVFIIODHV-UHFFFAOYSA-N 374.506 3.579 0 40 FHAB Clc1ccc2c(c1)[C@H]1OCCC[C@@H]1C1(CCN(Cc3cc[nH]n3)CC1)O2 257262745 LMRFPAMXTZGJFD-PKOBYXMFSA-N 373.884 3.958 0 40 FHAB C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccccc4)cc3)C(=O)[C@@H]12 408670153 IFPQSKVYRVLEHW-ZMYBRWDISA-N 360.413 3.641 0 40 FHAB CCCN(C(=O)c1c[nH]c(C(=O)N2CCCC2)c1)[C@H]1CCc2ccccc21 520151830 LIZYXLXKKFGBPB-FQEVSTJZSA-N 365.477 3.790 0 40 FHAB COCC(=O)Nc1cccc(CN[C@H]2CCc3cc(F)c(Cl)cc32)c1 527851116 TXWHSIMQPPXWQV-SFHVURJKSA-N 362.832 3.841 0 40 FHAB C[C@@H](NCCn1ccc2cc(Cl)ccc21)c1ccc2c(c1)OCC(=O)N2 568660686 NJAJFJBANNOVCA-CYBMUJFWSA-N 369.852 3.976 0 40 FHAB O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(Cc2cnoc2C2CC2)C1 583615376 CXZPSZZJAPBRFK-HZPDHXFCSA-N 352.356 3.879 0 40 FHAB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(NC(=O)N(CC1CC1)C1CC1)C2 584907215 HGGXCDGWVFJYTD-IRXDYDNUSA-N 363.502 3.501 0 40 FHAB O=C(CCn1cnc2sccc2c1=O)Oc1ccc2ccccc2c1 22240122 CWOYBUUPFAYTDX-UHFFFAOYSA-N 350.399 3.607 0 40 FHAB Cc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(C)o4)no3)C2)cc1 1364823 UPVUWSDVAJPMQF-INIZCTEOSA-N 351.406 3.966 0 40 FHAB COc1ccc(NC(=O)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccco2)cc1 1377691 QQCCGLWWFGZOMU-QZTJIDSGSA-N 369.465 3.995 0 40 FHAB COc1ccc([C@@H](C)c2cc3c(cc2OCCOC(C)=O)OCO3)cc1 1582754 HUSSGBLJTKNBQF-CYBMUJFWSA-N 358.390 3.518 0 40 FHAB CCC[C@@H]1[C@H](C)CCCN1c1ncnc2c1c(Br)nn2C 79017572 KEHZNJCYPMHRAC-GHMZBOCLSA-N 352.280 3.531 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1 3548339 DVTKMLIHFQSLCK-UHFFFAOYSA-N 366.870 3.623 0 40 FHAB Brc1ccc(C2=Nn3c(nnc3-c3ccco3)SC2)cc1 869710 BNYCRXIPJGVNFK-UHFFFAOYSA-N 361.224 3.659 0 40 FHAB O=C(O)c1ccc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 4362868 FDIPHNGCJIATGR-UHFFFAOYSA-N 360.218 3.634 0 40 FHAB C[C@@H]1CCCCN1c1ncnc2ccc(I)cc12 955127 JVQLDUPKEHDIHA-SNVBAGLBSA-N 353.207 3.613 0 40 FHAB CCn1c(-c2cc(C(=O)c3cc(OC)ccc3O)c[nH]2)nc2ccccc21 7719367 DIJYNEFZIBNIMH-UHFFFAOYSA-N 361.401 3.997 0 40 FHAB COC(=O)[C@H](C)Sc1nnc(-c2cccc(C)c2)n1-c1ccccc1 7814509 YHOWPXJKXSIFFX-AWEZNQCLSA-N 353.447 3.896 0 40 FHAB Cc1cc(C)nc(SCC(=O)OCC(=O)c2ccc3ccccc3c2)n1 7814597 HZTJOAOCMKJVJF-UHFFFAOYSA-N 366.442 3.765 0 40 FHAB O=C(Cc1ccccc1)Nc1cc(NC(=O)NCc2ccco2)ccc1F 47627653 BIMMRJXSYUJNTH-UHFFFAOYSA-N 367.380 3.922 0 40 FHAB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](CC(C)C)[C@H]2C1=O 101048162 BMHVPIICEQFDLA-AQNXPRMDSA-N 364.445 3.720 0 40 FHAB CCOC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc12 3169348 GLSIVEFLJLTYDJ-UHFFFAOYSA-N 364.380 3.531 0 40 FHAB CCc1cc(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc3C2)sc1C 23878720 RGDBGKUXHLNVNW-ZDUSSCGKSA-N 357.475 3.749 0 40 FHAB Cc1cc(C(=O)Oc2ccc3c(c2)CCC(=O)N3)c(C)n1Cc1ccco1 42886911 ZBBOPECXVAJFDP-UHFFFAOYSA-N 364.401 3.850 0 40 FHAB CN1C(=O)N(c2ccccc2)[C@@H](N(O)C(=O)Nc2ccccc2)C1(C)C 1277704 CMZHVQYRQUBNFW-INIZCTEOSA-N 354.410 3.586 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1F 12535505 QRHTZJKXHBZJOK-SFHVURJKSA-N 366.371 3.699 0 40 FHAB C[C@H](c1ccco1)N(C(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C1CC1 56182047 KXVZIGDGJYLPQV-LLVKDONJSA-N 369.389 3.642 0 40 FHAB C[C@@H](OC(=O)CCc1ccco1)C(=O)Nc1ccc(N2CCCCC2)cc1 12644824 UAJDCJLRBOLVJW-MRXNPFEDSA-N 370.449 3.773 0 40 FHAB CCCCNC(=O)Cc1nc2scc(-c3ccc(C)c(C)c3)c2c(=O)[nH]1 55503481 YQDWFYKMRRIGJV-UHFFFAOYSA-N 369.490 3.727 0 40 FHAB CCc1ccc(OCCCC(=O)Nc2nnc([C@H]3CCCO3)s2)cc1 1903904 VMAAWDMGOBNESG-OAHLLOKOSA-N 361.467 3.750 0 40 FHAB COc1ccc(N(C)C(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1OC 58017240 JGMWMLOGCIDLBB-GOSISDBHSA-N 371.433 3.538 0 40 FHAB CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC3CCCCCC3)ccc12 12766029 ZNBKLYGHMXXDRL-AWEZNQCLSA-N 357.450 3.962 0 40 FHAB CCC(=O)Nc1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1 44790979 IKCTYWIZXQAJED-UHFFFAOYSA-N 352.438 3.673 0 40 FHAB Cc1ccc(-c2nc(CN3C(=O)CN(c4ccccc4)C3=O)cs2)o1 58225923 JDEPXNIUWMSGON-UHFFFAOYSA-N 353.403 3.680 0 40 FHAB COc1ccc(NC(=O)c2cc(=O)c3cc(Br)ccc3o2)cc1 27794842 HDWNWIKKWXOYLO-UHFFFAOYSA-N 374.190 3.816 0 40 FHAB C[C@@H](NC(=O)CCN(C)CCOc1ccccc1Cl)c1ccccc1 12787963 CTANYJKSQPIVFS-MRXNPFEDSA-N 360.885 3.918 0 40 FHAB CSc1ncccc1C(=O)O[C@H](C)C(=O)Nc1ccc(F)cc1Cl 3388854 BDDRFVZRVAEOMN-SECBINFHSA-N 368.817 3.780 0 40 FHAB Cc1cc(=O)oc2cc(OC(=O)c3cc(F)c(F)c(F)c3F)ccc12 3360745 DEMVSVYHUQMGOZ-UHFFFAOYSA-N 352.239 3.877 0 40 FHAB CC(C)(C)OC(=O)NCCc1nnc(SC/C=C/c2ccccc2)o1 2374255 YGKKXBQEPWHZGR-JXMROGBWSA-N 361.467 3.942 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)CSCc2ccccc2F)c1 24936227 OAXGPIPFQUMNSJ-CYBMUJFWSA-N 363.454 3.954 0 40 FHAB CN(Cc1ccccc1Br)C(=O)Cc1noc2ccccc12 45456359 QGHYRYGJATZTNT-UHFFFAOYSA-N 359.223 3.791 0 40 FHAB COc1ccc(-c2nc(CSc3nnnn3CC(C)C)cs2)cc1 12876123 UNWDSWWYBWPEFZ-UHFFFAOYSA-N 361.496 3.754 0 40 FHAB Cc1c(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cnn1C 11118019 VPAHMJNMZRWFLZ-UHFFFAOYSA-N 374.238 3.681 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(O)c2)N1Cc1ccco1 2409674 IZPFJRAVOZYUQZ-IBGZPJMESA-N 373.364 3.837 0 40 FHAB COc1cccc(OC)c1C(=O)N[C@H](C)c1cccc(Br)c1 20025475 OYUGHCXFECSGOY-LLVKDONJSA-N 364.239 3.957 0 40 FHAB Cc1csc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)n1 2620569 UQVHPJOEBDUZIY-UHFFFAOYSA-N 361.430 3.952 0 40 FHAB Cc1cc(C)c(C(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(C)c1 2635112 UXIMBGLQZQLKIK-RCDICMHDSA-N 370.493 3.931 0 40 FHAB CC1CCN(c2nnc(SCC(=O)c3ccccc3)n2C2CC2)CC1 8735453 IHMRKHAIQFISFP-UHFFFAOYSA-N 356.495 3.824 0 40 FHAB O=C1CCc2cc(C(=O)OCc3coc(-c4cccs4)n3)ccc2N1 13008229 VFYQYSSTGNHHKM-UHFFFAOYSA-N 354.387 3.645 0 40 FHAB COc1cc2ccccc2cc1C(=O)NCc1ccc(-n2ccnc2)cc1 20493679 NAEBHAKDNAXMQC-UHFFFAOYSA-N 357.413 3.964 0 40 FHAB COc1cccc(OC[C@@H](O)Cn2c(C(F)(F)F)nc3ccccc32)c1 5586806 GVYQAUVWSVVGDQ-LBPRGKRZSA-N 366.339 3.504 0 40 FHAB CC(=O)N1CCCCC[C@H]1C1CCN(c2ncnc3ccsc23)CC1 71889369 LXIGIRJULOVLOW-KRWDZBQOSA-N 358.511 3.699 0 40 FHAB CCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1-c1ccccc1 9264988 PQQCZTQTVJQSMM-UHFFFAOYSA-N 356.426 3.700 0 40 FHAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Br)c(Cl)c1 6861861 BRNUHOSGBYYTJJ-UWVGGRQHSA-N 360.635 3.932 0 40 FHAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1cc(Cl)cc(Cl)c1 7046681 MJBLIGWXPXFFBW-UHFFFAOYSA-N 369.248 3.641 0 40 FHAB COc1ccc(/C=C/c2nnc(NC(=O)Cc3ccccc3)s2)cc1 9358774 MOZWESXYMCIKHN-FMIVXFBMSA-N 351.431 3.898 0 40 FHAB Cc1ccccc1CN(C)C(=O)CSc1nc(-c2ccccc2)n[nH]1 9313505 HXGVBGHYUOCICW-UHFFFAOYSA-N 352.463 3.531 0 40 FHAB COc1ccccc1CCNS(=O)(=O)c1cc(Cl)ccc1Cl 7309230 WZOZSUNBZZYCDV-UHFFFAOYSA-N 360.262 3.523 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1Cl 9314541 IIZKKTOGIIIAGQ-VUQUXZKVSA-N 372.808 3.720 0 40 FHAB Cc1ccc(SCC(=O)Nc2ccccc2N2CCN(C)CC2)c(C)c1 9364259 WQIKFDHIHXKVNM-UHFFFAOYSA-N 369.534 3.786 0 40 FHAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCCCCC1 7912538 TYMRLKQDYTYVQK-ONUXSRJRSA-N 360.542 3.746 0 40 FHAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)NC(C)(C)C 8255867 FYOABHVXWPBCKY-JTQLQIEISA-N 350.513 3.737 0 40 FHAB O=C(/C=C\c1ccc(OC(F)F)cc1OC(F)F)NCc1ccco1 96817210 AMLPEGICCLBVHH-XQRVVYSFSA-N 359.275 3.812 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)N2CCN(c3ccccc3F)CC2)c1C 20494697 CLUMUKYHJZMUBT-QGZVFWFLSA-N 356.441 3.559 0 40 FHAB CC(C)(C)c1cc(NC(=O)CN(Cc2ccco2)Cc2ccco2)on1 23200185 ASGWVNLFKVUOQS-UHFFFAOYSA-N 357.410 3.799 0 40 FHAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1nc(-c2cccc(C)c2)no1 219598547 ZCTXMWHBUYOFAC-SFHVURJKSA-N 365.433 3.827 0 40 FHAB Cc1ccc(C2=NN(C(=O)c3ccc(F)cc3)[C@](O)(C(F)(F)F)C2)cc1 32101080 KTSOIBLURNHTMU-QGZVFWFLSA-N 366.314 3.635 0 40 FHAB CCN1CCN(c2cc(NC(=O)c3ccccc3C)c(Cl)cc2N)CC1 72229075 QYLPUYSGNJFEMF-UHFFFAOYSA-N 372.900 3.625 0 40 FHAB CCN(CC)c1ncccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 72212905 IAFRVDORRVXJBU-IBGZPJMESA-N 373.522 3.762 0 40 FHAB O=C(O)[C@@H](c1ccsc1)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 568060714 LOOVCMYCVWDCLP-MRXNPFEDSA-N 368.462 3.539 0 40 FHAB Cc1csc(NC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)n1 72020193 VPNRRTLYPBZDEL-UHFFFAOYSA-N 364.780 3.959 0 40 FHAB COc1cccc(O[C@@H](C)C(=O)Nc2cccc(Br)c2)c1 40946061 CXMCDIZIERAYHR-NSHDSACASA-N 350.212 3.864 0 40 FHAB COc1cccc(-c2noc(CCC(=O)Nc3ccc(F)cc3F)n2)c1 225823217 MOWKAQFAZMUBQM-UHFFFAOYSA-N 359.332 3.595 0 40 FHAB Cc1cn2c(CN(C)C(=O)c3cc(C)n([C@@H](C)C4CC4)n3)c(C)nc2s1 329366175 KHSRUVBDRBTPBK-AWEZNQCLSA-N 371.510 3.761 0 40 FHAB COC(=O)N1CCc2ccccc2[C@@H]1C(=O)Nc1cccc(Cl)c1C 75165731 QMDOYLDJUVWLHQ-QGZVFWFLSA-N 358.825 3.953 0 40 FHAB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1 223317573 TXPVWNNTXOAVGE-UHFFFAOYSA-N 373.217 3.537 0 40 FHAB COc1ccc(CCNC(=O)c2ccc(OC)c(COCC(C)C)c2)cc1 224446452 FTLIVBFFTACXHJ-UHFFFAOYSA-N 371.477 3.849 0 40 FHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCSCc1ccco1 224012891 UZCJRYDFNBUCOD-HNNXBMFYSA-N 359.491 3.975 0 40 FHAB COc1ccc([C@H](NC(=O)Nc2ccc3oc(C)nc3c2)C2CC2)cn1 529021239 MVMXCUADWNPMBZ-GOSISDBHSA-N 352.394 3.813 0 40 FHAB O=C(NCCOc1cccc(Cl)c1)c1c[nH]c(=S)n1-c1ccccc1 40113647 JEGUSQDOVWJAAE-UHFFFAOYSA-N 373.865 3.997 0 40 FHAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCC)c1ccccc1 223548685 VCBVWUBHYDEXEP-NRFANRHFSA-N 368.477 3.701 0 40 FHAB CCC(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1Br 226287433 MBYHTDWGSHKBNP-UHFFFAOYSA-N 359.223 3.958 0 40 FHAB CC[C@@H](NS(=O)(=O)c1cccc(C(=O)OC)c1)c1ccc(C)cc1C 224189162 GGSXUFSEWQGEQB-GOSISDBHSA-N 361.463 3.520 0 40 FHAB Cc1ccnc(NS(=O)(=O)c2cc(C)c(C)cc2Br)c1 96305733 PQUNTPUAWGOWFB-UHFFFAOYSA-N 355.257 3.570 0 40 FHAB O=C(CCn1ccc2c(Cl)cccc21)N1CC[C@]2(O)CCCC[C@H]2C1 95472470 XVODSGUWVYKNCC-MGPUTAFESA-N 360.885 3.838 0 40 FHAB Cc1nc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c(C(C)C)s1 96117265 IMJKRWMKMGEUSH-UHFFFAOYSA-N 368.462 3.792 0 40 FHAB CCc1nc(N2CC[C@](CO)(Cc3ccc(F)cc3)C2)c2ccsc2n1 585083484 PRKFTAHAEISXIL-FQEVSTJZSA-N 371.481 3.824 0 40 FHAB CCOC[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)Cc2cncn21 253386431 WSMXLOZCGHMKFT-HNNXBMFYSA-N 359.813 3.516 0 40 FHAB O=C(NCc1ccc2occc2c1)Nc1cccc(N2CCOCC2)c1 665807988 CZMLJQNLAXYDKU-UHFFFAOYSA-N 351.406 3.591 0 40 FHAB COc1c(C)cnc(CNC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)c1C 50448156 RFSXTDHXYQEDHD-UHFFFAOYSA-N 370.449 3.694 0 40 FHAB CCOC1CCN(C(=O)Nc2ccc(OCCc3ccccc3)nc2)CC1 77527863 NOVLGCMZISCEGN-UHFFFAOYSA-N 369.465 3.736 0 40 FHAB O=C(CN1C(=O)[C@H]2CCCC2=Nc2ccccc21)Nc1c(F)cccc1F 101320574 DAXDQGGZFSMXIR-LBPRGKRZSA-N 369.371 3.823 0 40 FHAB COc1cccc(OC)c1CN[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 95435783 VMSJZEUHXMUBOJ-MJGOQNOKSA-N 354.494 3.847 0 40 FHAB O=c1ccc2cc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)ccc2o1 22902869 LNLSOKTZSQNGHZ-UHFFFAOYSA-N 370.213 3.901 0 40 FHAB CC(C)C[C@H](NC(=O)c1ccccn1)c1nc2cccnc2n1C(C)C 12114109 ZINJRITYFLKMKI-KRWDZBQOSA-N 351.454 3.924 0 40 FHAB COc1ccc(CN(C)Cc2cc(C)[nH]n2)cc1Cc1c(C)noc1C 12147126 XOAHDXBNVZINDU-UHFFFAOYSA-N 354.454 3.554 0 40 FHAB CCOc1ccccc1C(=O)N[C@@H](C)c1nc(-c2ccc(C)cc2)no1 13495204 DIVRUUFBMXAMLK-AWEZNQCLSA-N 351.406 3.935 0 40 FHAB CC[C@H](C(=O)Nc1ccc(C)cc1C)N(c1ccc(C)cc1)S(C)(=O)=O 13713043 GSGOHRWJZIZUKC-LJQANCHMSA-N 374.506 3.795 0 40 FHAB CN(Cc1cc2cccc3c2n(c1=O)CC3)C(=O)Nc1cccc(Cl)c1 13733054 DAQPLCPSSMCZTH-UHFFFAOYSA-N 367.836 3.875 0 40 FHAB Cc1cccc(NC(=O)C[C@@H]2CSc3nc(C(C)C)cc(=O)n32)c1C 14033965 HQQJWLQISWYVFY-CQSZACIVSA-N 357.479 3.659 0 40 FHAB CCc1cccc(CC)c1NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 14154595 WSLNHAZECQMBPQ-HNNXBMFYSA-N 374.506 3.605 0 40 FHAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1 14399002 GWYZIRICLCUZTR-INIZCTEOSA-N 354.450 3.883 0 40 FHAB CC(/C=C1\N=C(S)N(CN2CCCCCC2)C1=O)=C\c1ccccc1 17223145 CNEMYHOTGQXXLA-UEUHXYKBSA-N 355.507 3.935 0 40 FHAB Cc1cc(C(=O)N2CCC[C@H](c3nc(C)cc(-c4cccs4)n3)C2)on1 19117776 HFJIBNZWRHTQDT-AWEZNQCLSA-N 368.462 3.830 0 40 FHAB Cc1cc(-c2nccs2)nc(C2CCN(Cc3ccncc3)CC2)n1 19118685 IWFDHYHERULEDW-UHFFFAOYSA-N 351.479 3.683 0 40 FHAB C[C@@H]1Cc2cc(-c3csc(NC(=O)[C@@H](C)n4ccnc4)n3)ccc2O1 19498225 FDKCUVZOXFDLCT-VXGBXAGGSA-N 354.435 3.530 0 40 FHAB Cc1cccc(NC(=O)c2nnc3c(-c4ccc(F)cc4)cnn3c2C)c1 19817137 LUVZBYZGDMFNPT-UHFFFAOYSA-N 361.380 3.800 0 40 FHAB Cc1cc(Br)c(O)c(-c2nc(N3CCOCC3)sc2C)c1 5534562 QMAPHSRCULZKQE-UHFFFAOYSA-N 369.284 3.732 0 40 FHAB C[C@H](OC(=O)c1nc(Cl)ccc1Cl)C(=O)NCC1CCCCC1 9646139 ZLINDVVIYBLZSO-JTQLQIEISA-N 359.253 3.630 0 40 FHAB CCCCCNC(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O 2970223 RMLUUPONOFYONS-UHFFFAOYSA-N 361.511 3.926 0 40 FHAB CC(C)c1ncnc(N(C)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1F 1888879637 XFVIKMPDAGTEFM-INIZCTEOSA-N 371.460 3.872 0 40 FHAB COc1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1OC 4275910 WBODTZDRYOKDIK-UHFFFAOYSA-N 359.769 3.660 0 40 FHAB Cc1ccc2sc(NC(=O)c3ccccc3S(C)(=O)=O)nc2c1C 4517769 RDUZWKWSSMFWFX-UHFFFAOYSA-N 360.460 3.569 0 40 FHAB C[C@H](NC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1 5195853 GJTABTPUGRYYJH-XJKSGUPXSA-N 357.841 3.506 0 40 FHAB Cn1cccc1[C@H](CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1 11845627 PQFNTNXJCRRZQA-KRWDZBQOSA-N 366.292 3.899 0 40 FHAB CN(C)c1cccc(C(=O)N2CC(n3c(C4CC4)nc4ccccc43)C2)c1 1775970767 QRAZRIGZKOUBOA-UHFFFAOYSA-N 360.461 3.677 0 40 FHAB COc1ccc(C(=O)N2CC[C@@H](Oc3ccc4ccccc4n3)C2)cc1F 225739527 WLVBCIAOLBCBGL-MRXNPFEDSA-N 366.392 3.676 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 27415253 ANUOXGOSBMOKCW-INIZCTEOSA-N 359.351 3.958 0 40 FHAB CN(CCCNC(=O)/C=C/c1cc(Cl)c2c(c1)OCO2)c1ccccc1 30014787 PSDTWTVKQUNTMO-CMDGGOBGSA-N 372.852 3.725 0 40 FHAB O=C(CSc1cccc[n+]1[O-])Nc1cccc(C2SCCS2)c1 32413883 JCDAXGZEYZYSMZ-UHFFFAOYSA-N 364.517 3.529 0 40 FHAB O=C(N[C@H]1CCOc2ccccc21)c1ccc(OCc2cscn2)cc1 32747533 KBMJOFPFZLNELB-SFHVURJKSA-N 366.442 3.976 0 40 FHAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(F)cc1Cl 32754210 UIMZXALAXHNRSC-NSHDSACASA-N 369.845 3.716 0 40 FHAB COc1ccc(Cl)cc1C(=O)NCCNc1ccc(C(F)(F)F)cn1 32818312 WRDGZTHZYHXFCS-UHFFFAOYSA-N 373.762 3.604 0 40 FHAB CCc1nnc(NC(=O)COC(c2ccccc2)c2ccccc2)s1 32891176 XMYPLVPSJJYGCW-UHFFFAOYSA-N 353.447 3.845 0 40 FHAB Cc1cccc(OC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)c1 102616762 YTXHRSXBOLGMOD-XAMWDVODSA-N 373.408 3.526 0 40 FHAB Cc1cc(Br)ccc1NC(=O)c1cnn(C)c1C(F)(F)F 32932135 AXARPMGGBRCFMQ-UHFFFAOYSA-N 362.149 3.762 0 40 FHAB C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)N4CCCC[C@@H]4C)cc3c2C1 32945341 GCGHACWXFHXKGM-GJZGRUSLSA-N 368.477 3.851 0 40 FHAB CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccco1 779301 OAIYTVDPOANULT-UHFFFAOYSA-N 368.462 3.630 0 40 FHAB CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3C)cc2)CC1 809998 XAADQJHEXRCBBO-UHFFFAOYSA-N 365.477 3.614 0 40 FHAB CCCC(=O)Nc1sc(C(=O)Nc2ccccc2)c(C)c1C(=O)OC 871378 POJJLSXTMJWPOC-UHFFFAOYSA-N 360.435 3.834 0 40 FHAB CN1CCN(c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)CC1 1401279 OUPSHHMGNLAVPC-UHFFFAOYSA-N 364.276 3.998 0 40 FHAB COC(=O)CNC(=O)CC12C[C@@H]3C[C@H](C1)CC(c1ccc(C)cc1)(C3)C2 1447064 PCEUWMZPDVUCGA-RGMRCXJASA-N 355.478 3.512 0 40 FHAB CCOc1cc(NCCCN)c2nc(OCc3ccccc3)ccc2c1 1717100 DNHXSDFGIRBMNG-UHFFFAOYSA-N 351.450 3.973 0 40 FHAB Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2cc(C)cc(C)c2)c1 2420071 HLNGOHSQPUHWSD-UHFFFAOYSA-N 373.456 3.620 0 40 FHAB COc1ccccc1-n1cnnc1SCC(=O)c1ccc(Cl)s1 2642383 XZXSBKBFIKLCEA-UHFFFAOYSA-N 365.867 3.966 0 40 FHAB Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc2c(c1)OCCO2 2718332 QTSVYMAJONVQMI-UHFFFAOYSA-N 354.431 3.978 0 40 FHAB CCc1ccc(N2C[C@](O)(c3ccc(OC)cc3)[N+]3=C2CCCC3)cc1 2966301 OVOVIRIYKBNDMA-QFIPXVFZSA-N 351.470 3.518 0 40 FHAB Cc1ccc(C(=O)OCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)s1 3233147 BBNPXSDKFWMCHL-UHFFFAOYSA-N 365.279 3.548 0 40 FHAB O=S(=O)(Nc1ccc(F)c(F)c1F)c1ccccc1C(F)(F)F 3347823 XBGUYMKZGTURNX-UHFFFAOYSA-N 355.259 3.924 0 40 FHAB CCOc1ccc(NC(=O)[C@H](NC(=O)c2ccccc2)[C@H](C)CC)cc1 3350617 TVIDKOCBLIMSHU-DNVCBOLYSA-N 354.450 3.869 0 40 FHAB Cc1cc(C)n2nc(SCC(=O)Nc3ccccc3C(C)(C)C)nc2n1 3362772 VKKYCNZZFJCCCE-UHFFFAOYSA-N 369.494 3.769 0 40 FHAB COc1ccccc1C(=O)OCC(=O)Nc1c(Cl)cccc1Cl 3619412 IPTJNIJEUHEBMP-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB Cc1ccc(-c2nsc(SCC(=O)NCc3ccccc3)n2)cc1 4167375 KCXQTDHKEBOTCD-UHFFFAOYSA-N 355.488 3.922 0 40 FHAB CCSc1nnc2n(-c3ccc(C)cc3C)c(=O)c3ccccc3n12 4269326 LEDRFVDFNMRUPR-UHFFFAOYSA-N 350.447 3.762 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1C 4860660 YOEYQDNCZGVPGH-UHFFFAOYSA-N 362.842 3.768 0 40 FHAB Cc1cc(C(=O)CSc2nncn2C)c(C)n1CCc1cccs1 5218155 SANSHVFPVOEPQS-UHFFFAOYSA-N 360.508 3.513 0 40 FHAB CCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(OC)cc1 5462734 BVVVUMSUYNURQC-HXUWFJFHSA-N 363.417 3.746 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1cc(OC)c(OC)c(OC)c1 6213235 LLNDJAYTLWKYIM-UHFFFAOYSA-N 351.786 3.627 0 40 FHAB O=C(NC1CCCCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc12 6790168 DEIISFKVRWQUQR-UHFFFAOYSA-N 361.445 3.838 0 40 FHAB O=C(COC(=O)COc1ccc2ccccc2c1)Nc1cc(F)ccc1F 6886723 JLLKXOHGLJIPQO-UHFFFAOYSA-N 371.339 3.679 0 40 FHAB CCc1ccc2nc(NC(=O)CSC(=S)N3CCCC3)sc2c1 7002663 ZJKSOGIQRHGEQI-UHFFFAOYSA-N 365.549 3.911 0 40 FHAB Cc1cc(C)c(CNC(=O)/C=C/c2c(Cl)cccc2Cl)c(=O)[nH]1 7118394 SPYIZHSFEITKBM-VOTSOKGWSA-N 351.233 3.628 0 40 FHAB COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(C)ccc2C)c1 7404722 QAOKNFFTOZGUGM-UHFFFAOYSA-N 353.827 3.544 0 40 FHAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2sc(-c3ccccc3)nc2C)no1 7841407 PXIGPQHRNCJUTN-LBPRGKRZSA-N 371.418 3.599 0 40 FHAB C[C@@H]1CCc2c(sc(NC(=O)C3(c4ccccc4)CC3)c2C(N)=O)C1 7987433 XIMWNRMSRQSDIN-GFCCVEGCSA-N 354.475 3.642 0 40 FHAB C[C@H](Sc1nnnn1Cc1cccs1)C(=O)c1c[nH]c2ccccc12 8391642 AMUWWJBQIBWOKW-NSHDSACASA-N 369.475 3.628 0 40 FHAB CCOc1cccc(-c2nn3c(-c4ccc(N(C)C)cc4)nnc3s2)c1 8706854 KPWVHRBAAAJOGY-UHFFFAOYSA-N 365.462 3.985 0 40 FHAB CCCN1C(=O)CCc2cc(NC(=O)c3c(OC)cccc3OC)ccc21 9107082 QSXFVAQCSMAMCO-UHFFFAOYSA-N 368.433 3.645 0 40 FHAB COc1ccc2c(C)c(CCC(=O)Nc3ccc(F)cc3F)c(=O)oc2c1 9113715 MYGMQSDXAKFRTQ-UHFFFAOYSA-N 373.355 3.960 0 40 FHAB CCOc1c(Br)cc(C(=O)Nc2ccccc2O)cc1OC 9478296 BRXQQBUZOHQAIH-UHFFFAOYSA-N 366.211 3.814 0 40 FHAB CCOC(Nc1ncnc2c1cnn2-c1cc(Cl)ccc1C)OCC 10386666 WGJUWSKXSXUNTN-UHFFFAOYSA-N 361.833 3.546 0 40 FHAB COc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c(F)c1 10545899 PLBPTFDENIGOLH-CYBMUJFWSA-N 353.397 3.730 0 40 FHAB COC(=O)c1ccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc1 10898829 KFEMDCZNYSTAQD-UHFFFAOYSA-N 366.461 3.736 0 40 FHAB COc1cccc(-c2nc(CSc3ncnc4c3cnn4C)cs2)c1 11682553 DCKZNPATTUSEOK-UHFFFAOYSA-N 369.475 3.788 0 40 FHAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1CCc2sccc2C1 12216270 IZLOWBFNGWNAFX-UHFFFAOYSA-N 373.865 3.969 0 40 FHAB CCOc1ccc(C(=O)N[C@H]2CCCc3nc(-c4ccncc4)ncc32)cc1 12275689 JSBQACSTLMPAQO-FQEVSTJZSA-N 374.444 3.745 0 40 FHAB c1cc(-c2ccc(-c3noc(CN4C[C@H]5CCCC[C@H]5C4)n3)cc2)ncn1 12337230 NKSLZXCUSANDCP-HDICACEKSA-N 361.449 3.816 0 40 FHAB COc1ccccc1-c1cc(C(F)(F)F)c2c(C)nn(CC(=O)O)c2n1 12395248 XVXRAZANTRWKRM-UHFFFAOYSA-N 365.311 3.519 0 40 FHAB CC(C)CNC(=O)NC(=O)[C@@H](C)SC1=Nc2ccccc2CS1 12751613 IUWURFUTYFVIEG-LLVKDONJSA-N 351.497 3.524 0 40 FHAB COc1cccc(CN(C)CC(=O)Nc2ccc(C)c(Cl)c2)c1OC 13070374 AEEFXEIXVZUVJR-UHFFFAOYSA-N 362.857 3.736 0 40 FHAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2ccc(OC)cc2)c1 13669165 QNKKOYQHVDOXRR-GOSISDBHSA-N 357.406 3.668 0 40 FHAB Cc1[nH]c2ccc(C(=O)NCC3(N4CCOCC4)CCCCC3)cc2c1C 14141747 LSMJIHGSVDSRDM-UHFFFAOYSA-N 369.509 3.550 0 40 FHAB O=C(CCC1CCCC1)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 14171335 JAEPCYFTNHMHLH-UHFFFAOYSA-N 370.449 3.814 0 40 FHAB CCc1nc2sc([C@H](c3ccco3)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 16690139 WEYKRRMZTFAVNK-ZOWXZIJZSA-N 360.483 3.719 0 40 FHAB Cc1cc(C)cc(C(=O)NC(=S)/N=c2\[nH]c3ccc(C)cc3s2)c1 17073512 LCTQUMGTOWWJGZ-UHFFFAOYSA-N 355.488 3.770 0 40 FHAB CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc21 17247933 VMTZDDSSGJCXDX-UHFFFAOYSA-N 372.490 3.793 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(Br)o2)c1 18204410 YDSIFBMSVLDJSS-SECBINFHSA-N 354.200 3.550 0 40 FHAB CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(F)cc2)cc1 18768970 BBWKSKLWADXYMH-ZDUSSCGKSA-N 357.381 3.993 0 40 FHAB CCc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3)o2)cc1 20197083 BNZJGTIZKKIPHH-UHFFFAOYSA-N 353.447 3.954 0 40 FHAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)COc1ccc(OC)cc1 20488710 IMXNTLVSMJAEAI-UZLBHIALSA-N 357.450 3.745 0 40 FHAB COc1ccc([C@H](C)NS(=O)(=O)Cc2cccc(Cl)c2)cc1OC 20495483 QOWOWBOPARZKSG-LBPRGKRZSA-N 369.870 3.538 0 40 FHAB C[C@H]1CN(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@H](C)O1 20507298 BHNRENOVHLLCMZ-QWRGUYRKSA-N 364.795 3.797 0 40 FHAB CC(C)NC(=O)NCc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1 20901979 TUESIFOIOHFFKC-UHFFFAOYSA-N 363.820 3.939 0 40 FHAB C[C@H]1CN(C(C)(C)CNC(=O)c2cc(Cl)sc2Cl)C[C@H](C)O1 21058357 GRYMIBSKCIVZBF-UWVGGRQHSA-N 365.326 3.673 0 40 FHAB CCOc1ccccc1CCC(=O)Nc1cccc(C(=O)NC2CC2)c1 21669747 HQYGKIAQIQQKBQ-UHFFFAOYSA-N 352.434 3.549 0 40 FHAB O=C(Nc1ccc(N2CCCC2)nc1)c1cc(F)ccc1Br 25106200 GPZGALVJLOSNQJ-UHFFFAOYSA-N 364.218 3.836 0 40 FHAB CN(C)[C@H](CNC(=O)c1cc(F)ccc1Br)c1ccsc1 25331126 KXEVCEHSNMALQT-CQSZACIVSA-N 371.275 3.682 0 40 FHAB CC(C)c1ccc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1 25500519 XCVNFRIGEMOFBE-GOSISDBHSA-N 358.507 3.675 0 40 FHAB CCn1nc(C)cc1NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1 28241347 NTXXZLVGWZCNEE-UHFFFAOYSA-N 374.448 3.814 0 40 FHAB C[C@@H](CN1CCOCC1)[C@@](O)(Cc1ccccc1)c1ccc(Cl)cc1 31938038 OKFYKMOGOWTGMW-UWJYYQICSA-N 359.897 3.739 0 40 FHAB CC(=O)Nc1ccc(C(=O)CSc2nccn2-c2ccccc2)c(F)c1 32801725 DQESJVUVRSZQPK-UHFFFAOYSA-N 369.421 3.945 0 40 FHAB C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCO[C@H](c2ccc(F)cc2)C1 34870203 CJUJUTJNKFRJPC-VLIAUNLRSA-N 352.409 3.952 0 40 FHAB Nc1cc(Br)ccc1NC(=O)c1ccc(Br)o1 34958590 ZAJHGTSSTAMCES-UHFFFAOYSA-N 360.005 3.639 0 40 FHAB O=C(c1ccccc1)c1ccccc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 35913020 FCYHIISRWIABQG-PDWMJMLSSA-N 363.413 3.603 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 40023472 JKROWLKOGOVVST-FHSNZYRGSA-N 372.440 3.780 0 40 FHAB O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc2c(c1)OCO2 40107067 YDHJFOQXUQQWLA-UHFFFAOYSA-N 352.321 3.994 0 40 FHAB O=C(CCC(=O)N1CCC[C@@H]1c1ccsc1)c1ccc2c(c1)OCCO2 46911518 XRHJPMVVQLEAJD-MRXNPFEDSA-N 371.458 3.846 0 40 FHAB Cc1ccc(NC(=O)CN2C[C@H](O)Cc3ccc4ccccc4c32)c(C)c1 52896385 ONSSSAPVSBGUEI-LJQANCHMSA-N 360.457 3.819 0 40 FHAB Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(CN2CCCC[C@H]2C)cc1 53720647 CQMISUFOZAPIMQ-MRXNPFEDSA-N 368.525 3.983 0 40 FHAB O=C(NCc1ccc(Cn2cccn2)cc1)c1ccc(-c2cnco2)cc1 54146412 FEEQLYMIPWISNX-UHFFFAOYSA-N 358.401 3.516 0 40 FHAB CC(=O)Nc1nc(C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)cs1 55525369 LXCCVSJVWXAING-CYBMUJFWSA-N 363.870 3.602 0 40 FHAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2nc(N3CCCC3)ncc2Cl)o1 56457419 XDLBWJSUAKFTFT-JSGCOSHPSA-N 374.872 3.719 0 40 FHAB Cc1cccc(N2CCN([C@H](C)C(=O)Nc3c(F)cccc3F)CC2)c1C 57392225 MGEGAWBODJPPDV-MRXNPFEDSA-N 373.447 3.731 0 40 FHAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)NCc1cc2ccccc2[nH]1 58377978 TVWNIGDBVGVRSQ-AATRIKPKSA-N 368.820 3.922 0 40 FHAB CN(C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1)C1CCCC1 58391579 VLAKIJJLGIHBJV-UHFFFAOYSA-N 352.413 3.817 0 40 FHAB COc1ccc2cc([C@H](C)C(=O)NCCCCn3ccnc3)ccc2c1 60408182 VFIZINARXBSFKQ-INIZCTEOSA-N 351.450 3.745 0 40 FHAB COc1ccc([C@H](NC(=O)c2ccc(-c3ccco3)[nH]c2=O)C2CC2)cc1 65721279 GRVNFZZMMXCAGX-LJQANCHMSA-N 364.401 3.525 0 40 FHAB Cc1nc(NC(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)oc1C 65799422 BDURLRLLWARIEL-UHFFFAOYSA-N 363.364 3.696 0 40 FHAB COc1ccc([C@@H](C)NC(=O)c2cnc(-c3ccccc3)nc2)c(OC)c1 66915008 SYUDKXCBUVKIFD-CQSZACIVSA-N 363.417 3.652 0 40 FHAB Cc1csc(NC(=O)CN2CC=C(c3c(C)[nH]c4ccccc34)CC2)n1 72308177 CSQBLFMHPASGIC-UHFFFAOYSA-N 366.490 3.969 0 40 FHAB Fc1cccc2[nH]c(CN3CCC(OCCc4ccccc4)CC3)nc12 77376261 GUYXGHUIZQBCJA-UHFFFAOYSA-N 353.441 3.926 0 40 FHAB CCN(Cc1csc(N(C(C)=O)C2CC2)n1)[C@@H](C)c1cccc(O)c1 80933419 MEGZEAVISDXEBX-ZDUSSCGKSA-N 359.495 3.947 0 40 FHAB Clc1cccc(-c2noc(CCN3CCC[C@@H](c4ncc[nH]4)C3)n2)c1 80959825 SUAWBYXBZKYMQY-CQSZACIVSA-N 357.845 3.535 0 40 FHAB CN(C(=O)c1ccccc1NC(=O)/C=C/c1cnccn1)C1CCCCC1 83855610 KRCIBULHAKIECF-VAWYXSNFSA-N 364.449 3.533 0 40 FHAB COc1ccc([C@@H](C)NC(=O)c2ccc(N3CCCC3)c(F)c2)c(OC)c1 84651695 JLEFBVPXWFDCAK-CQSZACIVSA-N 372.440 3.934 0 40 FHAB Cc1cc(C)c(C(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)o1 93055591 UUIVYZGXNUNHBV-ZDUSSCGKSA-N 354.328 3.604 0 40 FHAB COc1ccc2ccccc2c1CN1CCC(N(C)c2cccnn2)CC1 93272444 RJKPILNMBUBNPM-UHFFFAOYSA-N 362.477 3.739 0 40 FHAB CC(C)(C)[C@@H]1CCN(C(=O)Nc2ccc3oc(C4CC4)nc3c2)C[C@H]1O 95996487 JBUBKTKVDTVBQW-GDBMZVCRSA-N 357.454 3.966 0 40 FHAB O=C(NCCc1nnc2n1CCCC2)c1ccc(-c2ccccc2Cl)o1 96012141 QGELMPDGIFOKDZ-UHFFFAOYSA-N 370.840 3.500 0 40 FHAB CCS(=O)(=O)N[C@H]1CC2(CCN(c3ccccc3)CC2)c2ccccc21 96079104 OLESCRZOIJIEMG-FQEVSTJZSA-N 370.518 3.609 0 40 FHAB CC(C)(C)c1ccccc1NC(=O)c1c(O)c2cccc3c2n(c1=O)CC3 100819659 AIRGEBDQLAFEBV-UHFFFAOYSA-N 362.429 3.813 0 40 FHAB CCCOc1ccc(N2C[C@H](C(=O)Nc3ccc(F)cc3C)CC2=O)cc1 103717752 VDDUCFQMVYRMLT-OAHLLOKOSA-N 370.424 3.915 0 40 FHAB COc1cc(/C=C2\SC(=O)NC2=O)ccc1OC(=O)c1cccc(C)c1 106695086 BTTCXLATUOAKBS-YBEGLDIGSA-N 369.398 3.547 0 40 FHAB Cc1ccc(F)cc1CN1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 108527793 JLCOAVYGYAWDTA-LJQANCHMSA-N 370.472 3.550 0 40 FHAB O=C(CCc1ccccc1F)NC[C@H](O)c1ccc(C(F)(F)F)cc1 206713527 HBQLCHKJDBVNEW-INIZCTEOSA-N 355.331 3.627 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cnc(-c3cccc(F)c3)nc2)c1 222624190 FNPYOVKWUHVUQG-UHFFFAOYSA-N 353.353 3.552 0 40 FHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C(=O)N(C)C)cc1 224572077 WWELYVIHZVEDHQ-HNNXBMFYSA-N 366.461 3.673 0 40 FHAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 225555590 PBZQRDJOWHESFK-INIZCTEOSA-N 372.896 3.824 0 40 FHAB O=C(NCC[C@H](O)c1cccc(Cl)c1)c1ccc(C(F)(F)F)nc1 225611114 VQPNMDOEEDDHIM-ZDUSSCGKSA-N 358.747 3.607 0 40 FHAB Cc1ccc(OC[C@@H](C)NC(=O)Cc2cccc(Br)c2)cc1 225621054 YTQLZGFHOPEVLG-CQSZACIVSA-N 362.267 3.884 0 40 FHAB Cc1cc(C(=O)N2CCC[C@H](c3ncc(C)s3)C2)c2c(C)noc2n1 257228875 FVQUZIAFSSQZGQ-ZDUSSCGKSA-N 356.451 3.624 0 40 FHAB CO[C@H]1CC[C@H](C(=O)N2CCC(c3nc4ccccc4cc3N)CC2)CC1 257267497 MHNMRDQBAXHKAD-SAABIXHNSA-N 367.493 3.728 0 40 FHAB Cc1noc(C)c1-c1ccnc(C2CCN(C(=O)c3cccnc3)CC2)c1 257303655 SICDTAIMPFKZPJ-UHFFFAOYSA-N 362.433 3.768 0 40 FHAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C(C)C)CC2)n1 257334417 YFUHUSBAVNJXQB-SAABIXHNSA-N 352.482 3.893 0 40 FHAB C[C@H](NC(=O)Nc1cc([C@@H]2CCCO2)nn1C)c1ccc(F)c(Cl)c1 279029260 PWVGUXGLJSIWHV-BONVTDFDSA-N 366.824 3.947 0 40 FHAB O=C(c1cc(-c2cccs2)[nH]n1)N1CCC[C@@]2(C1)OCc1ccccc12 330043255 CKBLJGZYYJVYCE-FQEVSTJZSA-N 365.458 3.800 0 40 FHAB O=C(NCCc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1Cl 511184628 DNFSAXFQZHTROX-UHFFFAOYSA-N 361.232 3.751 0 40 FHAB Cc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC23CCOCC3)nc1C 562671898 WYBPZJCZEZWRAP-HXUWFJFHSA-N 365.477 3.592 0 40 FHAB O=S(=O)(Cc1noc2ccccc12)NCc1ccc(-c2cccs2)o1 575607716 BMEZZOBEIAAMKE-UHFFFAOYSA-N 374.443 3.769 0 40 FHAB CCCN(CCN1CCCC1)C(=O)c1ccc(F)c(COC(C)C)c1 585082354 IAKHTHIWRBZZCR-UHFFFAOYSA-N 350.478 3.699 0 40 FHAB C=CC(=O)Nc1ccc(O)c(C(=O)Nc2cc(Cl)cc(Cl)c2O)c1 1623140416 YEGAOQQYRQPVEP-UHFFFAOYSA-N 367.188 3.781 0 40 FHAB O=C(CSC1CCCC1)NC[C@@H](O)c1cc(-c2ccco2)cs1 1775968164 LFJVAMYIJKPCKW-CQSZACIVSA-N 351.493 3.834 0 40 FHAB O=C([C@H]1CCCN(Cc2ccccc2Cl)C1)N1CCC(F)(F)CC1 2298212736 UXDIQJDZELUPGN-HNNXBMFYSA-N 356.844 3.810 0 40 FHAB Cc1ccnc(N2CCC[C@@H](C(=O)Nc3ccc(C(C)(C)C)cc3)C2)n1 1358241 HKZHDCCLSXUJEM-MRXNPFEDSA-N 352.482 3.938 0 40 FHAB O=C(Nc1cccc(COC2CCCCC2)c1)N1CCC2(CC1)OCCO2 78710717 IVUMAMIHTZWYBS-UHFFFAOYSA-N 374.481 3.907 0 40 FHAB CC(=O)c1ccc(OC(=O)[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)cc1 79056801 TYHZXRADDYQVKV-MRXNPFEDSA-N 363.454 3.982 0 40 FHAB CCn1ncc(NC(=O)c2ccc(COc3ccccc3OC)o2)c1C 2796463 IHSHMSWJFDJDAT-UHFFFAOYSA-N 355.394 3.644 0 40 FHAB Cc1cc(CN2CC[C@H](N3CCCC3)C2)cc(C)c1OCc1ccccn1 92756355 VFZQFXNRUKJOFO-QFIPXVFZSA-N 365.521 3.948 0 40 FHAB COc1ccc(-c2csc(N(CCCN(C)C)C(=O)C3CC3)n2)cc1 4215101 NWKCKCHEIMJKCN-UHFFFAOYSA-N 359.495 3.513 0 40 FHAB CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nnc1-c1ccco1 4516359 UAPNSWMYBYAONS-MELADBBJSA-N 362.499 3.591 0 40 FHAB Cc1cccc(C)c1NC(=O)CSc1nnc(NCC(C)C)s1 7249524 AJXMHQVSTQUNKF-UHFFFAOYSA-N 350.513 3.954 0 40 FHAB COc1ccc(N[C@@H](NC(=O)c2ccccc2)C(=O)c2cccs2)cc1 913181 KHNAKIROAOPCMC-IBGZPJMESA-N 366.442 3.808 0 40 FHAB CC(C)c1ccc(-c2nonc2NC(=O)[C@@H]2COc3ccccc3O2)cc1 12409559 OEWWSCORRZMOMJ-KRWDZBQOSA-N 365.389 3.639 0 40 FHAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)Cc2ccccc2Cl)c1 10112347 WZJRWKASCHVYEE-UHFFFAOYSA-N 367.854 3.767 0 40 FHAB Cc1cc(Cl)ccc1NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 10313901 RORYVZCBFCGRGZ-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB Cc1cccc(C)c1NC(=O)c1cnc2sc3c(n2c1=O)CCCC3 10327300 OSTOKSYZJMBDIB-UHFFFAOYSA-N 353.447 3.504 0 40 FHAB COc1ccc(-c2nc3n(n2)C(=O)C[C@@H](c2ccc(OC)cc2)S3)cc1 1096582 JNMQZMTVNRWHOB-INIZCTEOSA-N 367.430 3.840 0 40 FHAB O=S(=O)(NCc1ccccc1COc1ccccc1)c1ccc(F)cc1 10680868 YISVKQXGOJOBEV-UHFFFAOYSA-N 371.433 3.883 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)NC(C)C 8558673 YWEVKEPYKQOPJD-KRWDZBQOSA-N 358.413 3.760 0 40 FHAB O=C(Cc1cccc(C(F)(F)F)c1)N1CC[C@@](O)(c2ccc(F)cc2)C1 95464363 LSKCPCYERNBTQU-SFHVURJKSA-N 367.342 3.507 0 40 FHAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3c(F)cccc3F)cc21 8959437 GMHGXYJXRZLKQD-UHFFFAOYSA-N 374.387 3.989 0 40 FHAB Cc1cc(NC(=O)CNc2cc(Cl)ccc2OCC(F)(F)F)on1 24253823 UAUJYWGPNONDJX-UHFFFAOYSA-N 363.723 3.628 0 40 FHAB Cc1nc(C2(NC(=O)c3cc(-c4ccccc4)on3)CCCCC2)no1 55334328 XXGZOYQPELABFI-UHFFFAOYSA-N 352.394 3.622 0 40 FHAB Cc1cc(C(F)(F)Cl)n2nc(-c3cnn(C)c3C(F)(F)F)cc2n1 1393641 LDJDTDBFKRZIAE-UHFFFAOYSA-N 365.693 3.745 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)CCCOc3cccc(C)c3)ccc21 25172569 YOHKLKSCUVZFGV-UHFFFAOYSA-N 352.434 3.702 0 40 FHAB COc1ccc2c(COC(=O)c3cc4c(s3)CCC4)cc(=O)oc2c1 9069845 DBJDWLLEDNOTKZ-UHFFFAOYSA-N 356.399 3.709 0 40 FHAB CCN(CC)C(=O)c1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1 12525559 NJGYZVJDQNYNMO-UHFFFAOYSA-N 364.449 3.616 0 40 FHAB O=C(CSc1nccn1Cc1ccccc1)c1ccc2c(c1)OCO2 26042824 HRWBIBLCPATQFG-UHFFFAOYSA-N 352.415 3.635 0 40 FHAB Cc1cccc(NC(=O)C(=O)NCCOc2ccc(-c3ccccc3)cc2)c1 59417402 HFVQMDWHGNRVKP-UHFFFAOYSA-N 374.440 3.796 0 40 FHAB O=C(CCc1cccc(F)c1F)N[C@@H](CO)c1ccc(Cl)c(F)c1 95464774 VYEQZDABDMUAFA-HNNXBMFYSA-N 357.759 3.540 0 40 FHAB CCCOc1ccc(NC(=O)N[C@H]2CCO[C@]3(CCOC3)C2)cc1Cl 95458171 KGUKFIGRPPIEMX-KBXCAEBGSA-N 368.861 3.588 0 40 FHAB Cc1ccc(NC(=O)C[C@@H]2SC(=O)N(Cc3ccccc3)C2=O)cc1 10152172 CQQCKEPVVXFQNW-INIZCTEOSA-N 354.431 3.588 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)c1C 58192889 NKHTWUIABJVYOK-INIZCTEOSA-N 373.522 3.538 0 40 FHAB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3=C(C)C)[C@@H]2C1=O 100387248 QUGHVESQNBDHPS-IPZZXCBHSA-N 365.429 3.546 0 40 FHAB O=C(NCC[C@H]1CCCO1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 58309809 UNFCPUISQXHLKW-GOSISDBHSA-N 371.412 3.769 0 40 FHAB CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)c1ccccc1F 58392119 ZJTAUSLIONZDHI-UHFFFAOYSA-N 367.380 3.548 0 40 FHAB CCOc1ccc(-c2nsc(NC(=O)COc3ccc(F)cc3)n2)cc1 28287405 RGCRELBZHQCBLP-UHFFFAOYSA-N 373.409 3.760 0 40 FHAB CCCn1c(C)cc(-c2csc(NC(=O)c3ccc(O)nc3)n2)c1C 10893003 YEBMJZXKTXSFJA-UHFFFAOYSA-N 356.451 3.991 0 40 FHAB O=C1c2ccccc2N[C@H](c2cc3ccccc3[nH]c2=O)N1CC(F)(F)F 28511799 MQLQFPYUZHCTGD-INIZCTEOSA-N 373.334 3.657 0 40 FHAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@@H](C)N1CCCC(C)(C)C1 2308763 IPTLTKDOGSOEOV-CQSZACIVSA-N 371.481 3.712 0 40 FHAB CCOC(=O)c1sc(C)c2c1N[C@H](c1ccc(Cl)cc1)NC2=O 2323425 GCWBXEZDJQNRGP-AWEZNQCLSA-N 350.827 3.741 0 40 FHAB aggregator COc1ccccc1CNC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364588 VYSCPECPJWPDEM-SFHVURJKSA-N 374.440 3.531 0 40 FHAB CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(C)on1 60387879 WBUCALJCUOTLQB-UHFFFAOYSA-N 370.236 3.781 0 40 FHAB Cc1c(C(=O)Nc2ccccc2NS(C)(=O)=O)oc2c(F)cccc12 24890398 BGYAGHPROFXIFP-UHFFFAOYSA-N 362.382 3.504 0 40 FHAB C[C@H]1CCc2noc(NC(=O)COc3ccc(Br)cc3)c2C1 11915742 GJQBLDNXHPOVNV-JTQLQIEISA-N 365.227 3.579 0 40 FHAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 12857309 IUGGFRHMELULEF-LBPRGKRZSA-N 358.825 3.638 0 40 FHAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2cccc(C)c2C)CC1=O 3482015 DFGKOBGIFWQNME-INIZCTEOSA-N 352.434 3.694 0 40 FHAB O=C(CCCNC(=O)c1ccc(Cl)cc1)NCc1cccc(Cl)c1 12904935 KPVLIPAVMWCOEF-UHFFFAOYSA-N 365.260 3.820 0 40 FHAB O=c1ccc(-c2ccc3c(c2)OCCCO3)nn1Cc1ccc(Cl)cc1 63864021 RAEAHJDGIHSART-UHFFFAOYSA-N 368.820 3.773 0 40 FHAB O=C(Nc1ccccc1Oc1ccccc1)c1nc2ccccc2c(=O)[nH]1 28210350 YEDMJRASEKJWGK-UHFFFAOYSA-N 357.369 3.968 0 40 FHAB O=S(=O)(N[C@H]1CCSc2c(F)cccc21)c1cc(F)ccc1F 9154740 NBFXAXAQSHLUHX-ZDUSSCGKSA-N 359.394 3.619 0 40 FHAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)cc1 72310027 WKICTJBVVFMLFF-FQEVSTJZSA-N 369.440 3.777 0 40 FHAB Cc1cccc(OCCOC(=O)C(O)(c2ccccc2)c2ccccc2)c1 4328909 UGFVPYWZSXUQRX-UHFFFAOYSA-N 362.425 3.853 0 40 FHAB COc1ccc(CCNc2nc(-c3ccc(O)cc3O)cs2)cc1OC 14093704 JEZNOFDDJXEKFX-UHFFFAOYSA-N 372.446 3.893 0 40 FHAB COc1cc2c(cc1OC)C1=C[C@H](c3ccc(F)cc3)CC(=O)N1CC2 5321871 BAOWRBFHLLTSHP-HNNXBMFYSA-N 353.393 3.756 0 40 FHAB Cc1ccc(F)cc1NC(=O)CSc1nnc(-c2cccc(F)c2)n1C 4736276 KANSVIOTANYKFU-UHFFFAOYSA-N 374.416 3.800 0 40 FHAB CCc1ccc(Nc2nn[nH]c2C(=O)N[C@H](C)c2ccc(F)cc2)cc1 67283548 YCDCZXAZONLRGS-GFCCVEGCSA-N 353.401 3.741 0 40 FHAB Cc1cccc(-n2c(=O)c3sccc3n(Cc3ccccc3C)c2=O)c1 67258104 ACMKJTJMYPANHT-UHFFFAOYSA-N 362.454 3.879 0 40 FHAB COc1ccc(CCN2C(=O)c3ccccc3N[C@@H]2c2cccn2C)cc1 7088118 YHPSLZCMNPJDDK-NRFANRHFSA-N 361.445 3.843 0 40 FHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc(N2CCOCC2)cc1 9314471 ANIQXWJGQDSJKQ-JRGCBEDISA-N 374.525 3.939 0 40 FHAB CCOc1ccc([C@H](C)NCc2nnc(-c3ccc(OC)cc3)o2)cc1 9454797 YPSKTQFJFUYFGD-AWEZNQCLSA-N 353.422 3.995 0 40 FHAB Cc1cc(C)cc(OCC(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)c1 15860250 PQGMUTPPMAYKNG-IBGZPJMESA-N 356.466 3.537 0 40 FHAB Cc1ccc(Br)cc1S(=O)(=O)N1CCc2ccccc2C1 7667607 UXPGVSYBBKWDQR-UHFFFAOYSA-N 366.280 3.505 0 40 FHAB c1csc(-c2cnc3n2C[C@@]2(CCN(Cc4ccsc4)C2)OC3)c1 306124571 BTSNDIUTSMGAMG-SFHVURJKSA-N 357.504 3.848 0 40 FHAB COc1ccc(C)cc1[C@@H](C)NC(=O)C[C@H]1Sc2ccccc2NC1=O 8128818 OUKKJWWGDULRPM-FZKQIMNGSA-N 370.474 3.684 0 40 FHAB Cc1ccc(COc2ccccc2/C=C2/C(=O)N(C)C(=S)N2C)cc1 409042037 XEHGWZLXFKPPKV-ATVHPVEESA-N 352.459 3.604 0 40 FHAB Cn1cc(-c2nc(C(=O)NCc3csc4ccccc34)cs2)cn1 71804971 GWICGKICFYBVQB-UHFFFAOYSA-N 354.460 3.688 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)N(C)[C@@H]1CCCc2ccccc21 8574340 JTBWDEUHHMUGJM-LJQANCHMSA-N 367.445 3.813 0 40 FHAB COc1ccc([C@@H](Nc2ncnc3ccsc23)c2nccn2C)cc1 8705084 XYEHEWSOIQUKSI-OAHLLOKOSA-N 351.435 3.635 0 40 FHAB O=C(CSc1ncnc2sccc12)Nc1ccc2c(c1)OCCCO2 9607315 GFYUOXBGKOEQIX-UHFFFAOYSA-N 373.459 3.583 0 40 FHAB CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(Nc3ccccc3C)n2)C1 9846065 ZTFKMHNBCIHRKQ-CQSZACIVSA-N 373.478 3.610 0 40 FHAB O=C(CCCCCNc1ncccn1)Nc1nc2c(s1)CCCCC2 95475807 OLSBLJSRRPAXSQ-UHFFFAOYSA-N 359.499 3.813 0 40 FHAB CC[C@H](NC(=O)CN1Cc2ccccc2C1)c1nc(C(F)(F)F)cs1 89947980 YSJITYVPBOSQSP-ZDUSSCGKSA-N 369.412 3.745 0 40 FHAB CCCn1ccc2cc(NS(=O)(=O)c3c(C)nn(C)c3Cl)ccc21 63476099 WWQZMYTUORPBCB-UHFFFAOYSA-N 366.874 3.547 0 40 FHAB CC[C@H](NCCc1c(C)nc2sccn2c1=O)c1ccc(F)cc1F 509008671 ORIHJLZDFFTEBO-INIZCTEOSA-N 363.433 3.626 0 40 FHAB CCOc1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 409380880 JNKUSIPRGUZOMV-NTUHNPAUSA-N 357.406 3.763 0 40 FHAB CCN1C[C@@H](CN(C)C(=O)C23CC4CC(CC(C4)C2)C3)Oc2ccccc21 36394421 IJRHPSYPIDWXJJ-GYVBGXKYSA-N 368.521 3.949 0 40 FHAB CCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccccc1OC 219496603 YQBHXRPWQXKZJM-MRXNPFEDSA-N 357.450 3.610 0 40 FHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)c1 30862573 BTXGDBAHAYRKEH-HXUWFJFHSA-N 366.505 3.724 0 40 FHAB COc1cc([C@@H]2CC(O)=Nc3c2cnn3Cc2cccs2)ccc1O 72406488 AUCVSUIBURWGGF-ZDUSSCGKSA-N 355.419 3.831 0 40 FHAB Cc1nc2ccccc2nc1Cn1cc(C(F)(F)F)cc(Cl)c1=O 49875257 AOYLTHDPVUYZEK-UHFFFAOYSA-N 353.731 3.820 0 40 FHAB CCc1ccccc1NC(=O)c1ccccc1N1C(=O)[C@H]2CC=CC[C@H]2C1=O 136531512 QJJJMXDYLWVWNP-CALCHBBNSA-N 374.440 3.957 0 40 FHAB Fc1ccc(CN2CCC[C@H]2c2cncc(Nc3nncs3)n2)cc1 72376216 NLLVCESNKSYIKN-HNNXBMFYSA-N 356.430 3.548 0 40 FHAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccn2)S1 222587210 OGNBCUYUQFAZNC-KYNGSXCRSA-N 361.474 3.857 0 40 FHAB CC(C)c1nn(C)cc1/C=C1\N=C(c2ccccc2Br)OC1=O 48300493 GCKUFUFRXBHFQX-ZSOIEALJSA-N 374.238 3.651 0 40 FHAB CCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1C(=O)OC 225807391 QGTNBYKBYZNXHL-VLIAUNLRSA-N 363.454 3.796 0 40 FHAB Cc1cnn([C@H]2CCN(C(=O)NCC3(c4ccc(C)c(C)c4)CCC3)C2)c1 570095302 KXJIULMRHOXBHK-FQEVSTJZSA-N 366.509 3.887 0 40 FHAB COc1ccc(NC(=O)CCc2nc(-c3cccc(C)c3)no2)c(OC)c1 225814056 SYZYYHQABXSSDQ-UHFFFAOYSA-N 367.405 3.634 0 40 FHAB O=C(NCc1cccnc1-c1ccsc1)c1cc(=O)c2ccccc2o1 225645256 CKFNOTYCSZAFHP-UHFFFAOYSA-N 362.410 3.847 0 40 FHAB S=C(Nc1nc(Cl)cc(N2Cc3ccccc3C2)n1)NC1CCCC1 226007371 ONYBOPSHEPPLFZ-UHFFFAOYSA-N 373.913 3.879 0 40 FHAB Cc1ccc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1C 222488426 RLDLQALVKQTUMU-UHFFFAOYSA-N 366.870 3.605 0 40 FHAB CCN(CC)CCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1 225634913 DBRNPDSYMXHYAD-UTKZUKDTSA-N 362.514 3.941 0 40 FHAB Cc1ccccc1CN1CCC2(CC1)C[C@@H](OCC1CCOCC1)CO2 96106697 RQSUKJOCFFNXEA-OAQYLSRUSA-N 359.510 3.562 0 40 FHAB Cc1noc(C)c1CN1CCn2c(COCC3CCCC3)cnc2[C@@H]1C 96109788 AWDQAXDCTCLFBN-HNNXBMFYSA-N 358.486 3.772 0 40 FHAB O=C1C[C@H](c2ccsc2)[C@H]2[C@@H](O)CCC[C@H]2N1Cc1ccccc1F 257313566 UTFBANOEHGCGGN-PHXBYCTMSA-N 359.466 3.933 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCCN1CCCC[C@H]1CC 260529548 IFJFHGQVMURPJP-XLIONFOSSA-N 362.514 3.623 0 40 FHAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(OC2CCCC2)cc1 609114401 UUXNXVABAJULLZ-HXUWFJFHSA-N 367.445 3.522 0 40 FHAB CC1(C)[C@@H](CNC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1(F)F 660513302 FSAJDAYUUAUUSZ-UKRRQHHQSA-N 371.497 3.551 0 40 FHAB Cc1noc(C)c1CN1CC[C@]12CCCN(C(=O)C1(C)CCCCC1)C2 585102212 TZFRATMGQIPJGM-NRFANRHFSA-N 359.514 3.829 0 40 FHAB COCCN1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(C)c2)CC1 585113203 CHJWYIFCLULILF-NRFANRHFSA-N 358.526 3.657 0 40 FHAB CO[C@@H]1CN(C(=O)/C=C/c2csc(C)n2)CC[C@@H]1Cc1cccc(C)c1 585289858 LGBIAOHPFXWVQL-PORCLINASA-N 370.518 3.879 0 40 FHAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2c(F)cccc2Cl)C1=O 7070856 YOVKTWIPIUOJQX-VAENJDROSA-N 371.817 3.857 0 40 FHAB Cc1ccc2nc(COC(=O)c3cc(Cl)cc(Cl)c3)cc(=O)n2c1 5185923 GLXNUOXQCXWJLS-UHFFFAOYSA-N 363.200 3.667 0 40 FHAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)o2)cc1 5213963 SLYAKNVZEOKKMF-UHFFFAOYSA-N 354.435 3.986 0 40 FHAB CCOc1ccccc1-c1cc(C(=O)N(C)[C@@H](C)Cc2ccccn2)[nH]n1 12143816 HCXLRDRFWHZOIY-HNNXBMFYSA-N 364.449 3.574 0 40 FHAB Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNC3CCCC3)cc12 13564685 QZRVQWWVTIJAIF-UHFFFAOYSA-N 356.857 3.708 0 40 FHAB Cc1cc(C)c(NC(=O)CNC(=O)c2cccc(-n3cccc3)c2)c(C)c1 14941477 YFUKYOVJDXXHMY-UHFFFAOYSA-N 361.445 3.771 0 40 FHAB COCCn1c(SCc2cccnc2)nnc1-c1c[nH]c2ccccc12 17781602 CEYWUFWJQVXUIB-UHFFFAOYSA-N 365.462 3.760 0 40 FHAB O=C(c1cccc(F)c1)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1 19293549 PDZYNENAGNXSFV-SFHVURJKSA-N 350.397 3.978 0 40 FHAB O=C(NCc1nnc(-c2cccs2)o1)c1cccc(N2CCCCC2)c1 19294389 AANFUKUBXDYIAU-UHFFFAOYSA-N 368.462 3.718 0 40 FHAB COc1ccc([C@@H]2[C@@H](NC(=O)c3ccncc3)[C@H]3CCCC[C@H]32)cc1OC 19561400 SOLBGGOJPPAPQI-SEONNTABSA-N 366.461 3.801 0 40 FHAB COc1cccc(CN2CCC[C@H]2c2nc(O)cc(-c3cccnc3)n2)c1 19565189 KVHZVXXJENCAGX-IBGZPJMESA-N 362.433 3.590 0 40 FHAB Cn1c(C(=O)N2CCc3c(cnn3-c3ccccc3)C2)cc2ccccc21 530743279 CPPHFMCXWBGDCY-UHFFFAOYSA-N 356.429 3.563 0 40 FHAB CN(C)[C@@H](CNC(=O)c1cc(N)nc2ccccc12)c1cccc(Cl)c1 19666071 HZAPHCWNEGNTMN-SFHVURJKSA-N 368.868 3.503 0 40 FHAB CC(=O)N[C@@H](C)c1ccc(-c2csc(NC(=O)c3cc(C)no3)n2)cc1 12048184 HQNSZGWIIIPNSP-NSHDSACASA-N 370.434 3.556 0 40 FHAB O=C(c1ccccc1)c1sc(N2CCOCC2)nc1-c1ccccc1 3237230 LHLMRDAASBJJEP-UHFFFAOYSA-N 350.443 3.878 0 40 FHAB CC(C)[C@@H](NC(=O)COc1ccccc1F)c1ccc2c(c1)OCCCO2 6790013 GHPMDIPSFGROFB-OAQYLSRUSA-N 373.424 3.879 0 40 FHAB COc1ccc(C(=O)NC[C@@H](O)c2cc(-c3ccco3)cs2)cc1F 1888962469 IWWWMKFPJCHUMK-CQSZACIVSA-N 361.394 3.619 0 40 FHAB Cc1sc(Nc2ccccn2)nc1-c1ccc(NS(C)(=O)=O)cc1 23625539 KKVFALCHMUDNEM-UHFFFAOYSA-N 360.464 3.629 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)Nc3cccc(Br)c3)CC2=O)cc1 712181 FMHZFBRIVJUGBN-CYBMUJFWSA-N 373.250 3.749 0 40 FHAB CCc1cccc2sc(N3CCN(C(=O)c4ccc(F)cc4)CC3)nc12 5181550 UGFARBJIRVTHJS-UHFFFAOYSA-N 369.465 3.960 0 40 FHAB Cc1ccc(C)c2sc(NC(=O)c3ccc(S(C)(=O)=O)cc3)nc12 5223339 CJKBVSULZUSHCG-UHFFFAOYSA-N 360.460 3.569 0 40 FHAB COc1cccc(CN2CCC3(CCCN(Cc4ccccn4)C3)CC2)c1 2055785120 GSEHLIWWMRNMDM-UHFFFAOYSA-N 365.521 3.968 0 40 FHAB O=C(Cc1cccs1)Nc1nc(CN2CCc3ccccc3C2)cs1 21681307 XZHJHVXPXGVBKF-UHFFFAOYSA-N 369.515 3.944 0 40 FHAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cc(F)cc(F)c2)cc1O 40266379 AHWZRNXVSSTBOQ-AWEZNQCLSA-N 371.343 3.988 0 40 FHAB CN(Cc1csc(-c2ncccn2)n1)Cc1ccccc1N1CCCC1 51120802 FGIQSYJQTVVESN-UHFFFAOYSA-N 365.506 3.832 0 40 FHAB CCc1cccc(-n2ncc3c2N=C(O)C[C@]32C(=O)Nc3ccccc32)c1 20744742 WHNPJZXFBTUXEF-OAQYLSRUSA-N 358.401 3.665 0 40 FHAB Cc1nc(COc2ccc(C(=O)N[C@@H](C)c3ccc(F)c(F)c3)cc2)no1 32860428 MUDOEZNQQCGFGP-NSHDSACASA-N 373.359 3.726 0 40 FHAB CCN1C[C@@H](CN(C)C(=O)c2cccc3ncccc23)Oc2ccccc21 32903514 GCBMKQLKGPWCGC-MRXNPFEDSA-N 361.445 3.594 0 40 FHAB CC1=NN(c2ccc(C(=O)NCc3cc(-c4ccccc4)no3)cc2)CC1 52991251 LFWNLYNMQHCEPW-UHFFFAOYSA-N 360.417 3.858 0 40 FHAB O=C(Nc1ccc(Br)cc1)c1ccccc1C(=O)c1ncc[nH]1 1060795 SGSWNHDYFSDXRK-UHFFFAOYSA-N 370.206 3.656 0 40 FHAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1c(OCC)ccc2ccccc12 1467309 WIGOWMPGKSTBFE-SFHVURJKSA-N 370.474 3.594 0 40 FHAB CCOc1ccc(NC(=O)Cn2cnc(SCc3ccccc3)n2)cc1 2196146 AORRKRGLFGDDHM-UHFFFAOYSA-N 368.462 3.608 0 40 FHAB CSc1nc(S[C@@H](C)C(=O)O)c2c3c(sc2n1)COC(C)(C)C3 2251071 STAKFNVCPDWBDN-ZETCQYMHSA-N 370.521 3.830 0 40 FHAB COc1ccccc1CN1CCC[C@H](C(=O)N(C)Cc2ccccc2)C1 2734542 YKJYYASDIHRSQI-FQEVSTJZSA-N 352.478 3.566 0 40 FHAB COC(=O)c1sc2ncn3nc(-c4ccccc4Cl)nc3c2c1C 2792280 LOVYPRPUEPOUCS-UHFFFAOYSA-N 358.810 3.754 0 40 FHAB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1cccc(Cl)c1 3313067 VQJLISLBVYXEAT-UHFFFAOYSA-N 371.864 3.978 0 40 FHAB CCc1nc2ccccc2c(C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)c1C 3474635 RLECMWYJTSOJSZ-KSSFIOAISA-N 368.477 3.957 0 40 FHAB COc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 4385088 XOLKPKDNECLPAQ-CYBMUJFWSA-N 358.825 3.649 0 40 FHAB COc1ccc([C@H]2NC(=O)c3c(sc4c3CC[C@H](C)C4)N2)c(OC)c1 4525602 DFGHCXKBBXMIGR-BTDLBPIBSA-N 358.463 3.744 0 40 FHAB COc1cc(OC)c(OC)cc1/C=C1\SC(=O)N(c2ccccc2)C1=O 4544572 KMPCHMBEIFGWBI-YVLHZVERSA-N 371.414 3.953 0 40 FHAB COc1ccccc1NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl 4674047 HBTVQFBGLLYDRU-UHFFFAOYSA-N 362.234 3.811 0 40 FHAB CCOC(=O)c1cnc2ccc(Cl)cc2c1N(C)C1CCN(C)CC1 4749812 IMQWTXZEBIXHEV-UHFFFAOYSA-N 361.873 3.595 0 40 FHAB COC(=O)CC[C@@H]1C(=O)C(C)(C)C(=O)O[C@H]1c1ccc(Cl)cc1Cl 4751483 UNICYROSBMSQCK-FZMZJTMJSA-N 373.232 3.756 0 40 FHAB Cc1cccc2sc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)nc12 4815914 SHRMTERRKWZXPA-GFCCVEGCSA-N 369.421 3.735 0 40 FHAB C[C@H]1CCc2sc(-c3nnc(S[C@@H](C)C(=O)NC4CC4)o3)cc2C1 4937680 QCMOLJDDHXOHBO-UWVGGRQHSA-N 363.508 3.682 0 40 FHAB O=C(CCNC(=O)C(c1ccccc1)c1ccccc1)Nc1ccccc1 4974145 WPXREVANOQZKDV-UHFFFAOYSA-N 358.441 3.964 0 40 FHAB C[C@@H](OC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1nnc(-c2ccccc2)o1 5318235 UCXQNOVZQBQTBN-SLHHOWHOSA-N 354.406 3.736 0 40 FHAB COc1ccccc1-c1ccc(=O)n(Cc2ccc(Br)cc2)n1 5397087 LZAMLBIQNOQLNK-UHFFFAOYSA-N 371.234 3.730 0 40 FHAB CC(C)c1n[nH]c(SCC(=O)NC(c2ccccc2)c2ccccc2)n1 5862126 RKAVOPJNKUULJF-UHFFFAOYSA-N 366.490 3.926 0 40 FHAB O=Cc1cn(Cc2ccc(C(=O)O)cc2)c2ccc(Br)cc12 6045228 WYHVJCMDDCJBFR-UHFFFAOYSA-N 358.191 3.963 0 40 FHAB CC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccc(F)cc2F)CC(=O)N1 6820014 ZMZWTPAJOHBNBW-INIZCTEOSA-N 363.404 3.966 0 40 FHAB O=C(COCc1cc(-c2cccs2)on1)NCc1cccc(Cl)c1 6876556 FUOIDSYNFJZPSB-UHFFFAOYSA-N 362.838 3.890 0 40 FHAB O=C(O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1 7057617 ZYLDZDWRGKYTPB-UHFFFAOYSA-N 369.398 3.978 0 40 FHAB in-vitro C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1ccccc1 7161879 UOIDHUNMTZTBCZ-LLVKDONJSA-N 360.464 3.863 0 40 FHAB COC(=O)c1cn(S(=O)(=O)c2c(C)cc(C)cc2C)c2ccccc12 7668390 IWUUETDQRUSHFT-UHFFFAOYSA-N 357.431 3.590 0 40 FHAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2CCCCC2)c1 7981527 JLBMYCOCIJGGGL-UHFFFAOYSA-N 372.490 3.574 0 40 FHAB CC(C)c1ccccc1NC(=O)C[C@H](C)NCc1cn2ccccc2n1 7985279 KEOPHVBCMOYRJP-INIZCTEOSA-N 350.466 3.965 0 40 FHAB O=C(COc1ccc(Cl)cc1)Nc1ccc(OC[C@H]2CCCO2)cc1 8160530 LEPITTBHLNNNEP-GOSISDBHSA-N 361.825 3.915 0 40 FHAB O=S(=O)(Nc1nc2c(F)cc(F)cc2s1)c1ccc(F)cc1F 8185008 WXFRDFHEEIIEGO-UHFFFAOYSA-N 362.329 3.654 0 40 FHAB CNCCCNCc1cc(Br)ccc1OCc1ccccc1 8377004 QNSWLZISMVQPBQ-UHFFFAOYSA-N 363.299 3.727 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2c(F)c(F)cc(F)c2F)c1 8748450 UCBOLFFNHYXTRI-SECBINFHSA-N 355.287 3.852 0 40 FHAB CCCn1nc(NC(=O)c2ccncc2)c2cc3cc(OC)ccc3nc21 9289107 PQVPDKQQUKNLTP-UHFFFAOYSA-N 361.405 3.650 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1ccc(C)o1 9335784 HORHWCGSPSUQAV-NSHDSACASA-N 351.786 3.742 0 40 FHAB C[C@H]1CCCC[C@H]1NC1=NN=C(c2ccc3c(c2)OCCCO3)CS1 9417577 HFZOMEGIDCWBPE-DZGCQCFKSA-N 359.495 3.823 0 40 FHAB O=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1cc2ccccc2oc1=O 9828022 UWMSZXIVAHKWOV-UHFFFAOYSA-N 373.324 3.842 0 40 FHAB O=C(C[C@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1ccco1 9926201 LTTKKXUACXSQCB-PQCQUMGKSA-N 373.408 3.800 0 40 FHAB O=C(OCc1ccccn1)c1nn(-c2ccc(F)cc2)c2c1CCCC2 10722469 MWLUUFDKSZDYJT-UHFFFAOYSA-N 351.381 3.642 0 40 FHAB O=C(c1ccc2c(c1)OCCO2)N1CC=C(c2c[nH]c3ccccc23)CC1 11072101 HVMBVHUJNANHEX-UHFFFAOYSA-N 360.413 3.869 0 40 FHAB COc1ccc2c(C)c(CCC(=O)N[C@@H](C)c3cccs3)c(=O)oc2c1 12580799 WIEPEPALYXERCL-ZDUSSCGKSA-N 371.458 3.982 0 40 FHAB Clc1ccccc1N1CCN(Cc2ccc(-n3cccn3)cc2)CC1 12606836 SRAVLJVYVUULJT-UHFFFAOYSA-N 352.869 3.848 0 40 FHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H]1c1ccc(F)cc1 12764415 AOHHFADBZIEDSG-HNAYVOBHSA-N 370.424 3.804 0 40 FHAB O=C(/C=C/c1cccc2cccnc12)OCc1cc(F)cc2c1OCOC2 12824225 PMDJMLAVPMHPIB-VOTSOKGWSA-N 365.360 3.997 0 40 FHAB Cc1nc2ncnn2c(C)c1CC(=O)Nc1ccc(-c2ccccc2)cc1 12927556 WWNCSSFCGDYKNM-UHFFFAOYSA-N 357.417 3.589 0 40 FHAB CN(C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 12942246 FXTWFHAXCIXZIW-IBGZPJMESA-N 366.461 3.648 0 40 FHAB C[C@@]1(C(=O)Nc2ccc(-c3nccs3)cc2)Cc2ccccc2C(=O)O1 14112115 HVGBPOKLBBOMPY-FQEVSTJZSA-N 364.426 3.920 0 40 FHAB CN1CCCN(C(=O)c2ccc(Cl)cc2F)c2nc3ccccc3nc21 15607740 LEVOYXLGXAJQLE-UHFFFAOYSA-N 370.815 3.909 0 40 FHAB CCCc1nn(CC(=O)Nc2c(C)cccc2C)c(=S)n1-n1cccc1 16806802 MKGASJWIWDPDGB-UHFFFAOYSA-N 369.494 3.735 0 40 FHAB O=C(Cc1cc(F)ccc1F)N1CCC[C@H](c2cc3ncccc3cn2)C1 19347361 MBFOHNWKSGXOOP-HNNXBMFYSA-N 367.399 3.857 0 40 FHAB COCCn1c(C)cc2cc(NC(=O)C[C@@H](C)n3nc(C)cc3C)ccc21 19573117 PJJUEDDPZNXIOH-QGZVFWFLSA-N 368.481 3.999 0 40 FHAB CCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2OC)cc1Cl 20030009 JIKHBTVOVAJJQF-LBPRGKRZSA-N 369.870 3.787 0 40 FHAB Cc1ccccc1C(=O)Oc1ccccc1N1C(=O)[C@H]2CCCC[C@@H]2C1=O 20095249 LCIDQXBPPHBJIN-IRXDYDNUSA-N 363.413 3.894 0 40 FHAB CCOC(=O)c1cnc2c(-c3cccc(Cl)c3)c(C(C)C)nn2c1N 20636000 XKWHFEUUNVWHBV-UHFFFAOYSA-N 358.829 3.932 0 40 FHAB CSc1nn2c(=O)cc(COc3ccc(C(C)(C)C)cc3)nc2s1 20858962 BLIGXVPIICAURM-UHFFFAOYSA-N 361.492 3.749 0 40 FHAB CC(=O)c1c(C)cc(C)c(Cn2nc(-c3ccc(F)cc3)oc2=O)c1C 21531999 JZTORZHVAABYFI-UHFFFAOYSA-N 354.381 3.819 0 40 FHAB Cn1ccnc1[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 22197030 DPWBKXUOTPSOHD-CEXWTWQISA-N 367.399 3.708 0 40 FHAB Cc1ccoc1C(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 22528278 BPXGIBOAOUCHPC-UHFFFAOYSA-N 363.439 3.590 0 40 FHAB Oc1c([C@@H](c2cccs2)N2CCc3ccccc3C2)sc2ncnn12 22610234 ZGKJJZDDKOXPKV-OAHLLOKOSA-N 368.487 3.706 0 40 FHAB CC(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3cccnc3)C2)cc1 23175963 VOYJZFMLKSZJJH-LJQANCHMSA-N 374.400 3.625 0 40 FHAB CCOC(=O)c1ccc(N2CCC[C@@H]2c2cc(OC)ccc2OC)nc1 24054663 GQTXKMZMDDGKOV-QGZVFWFLSA-N 356.422 3.617 0 40 FHAB C[C@]1(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)CC1(Cl)Cl 25841544 VTTNQGYDDSXHIV-MRXNPFEDSA-N 352.265 3.853 0 40 FHAB Cc1ccc(/C=c2\sc3nc(-c4oc5ccccc5c4C)nn3c2=O)cc1 27026287 DYFXAHQOHFQPNP-BOPFTXTBSA-N 373.437 3.729 0 40 FHAB Cc1cc(C(=O)N(C)Cc2ccc3c(c2)OCO3)c(C)n1CC(F)(F)F 27108892 SEADKDZSELJSQV-UHFFFAOYSA-N 368.355 3.668 0 40 FHAB Cc1nn(C)c(C)c1C(=O)Nc1ccc(Br)c2cccnc12 28234229 CGXUFBWHDNCMHZ-UHFFFAOYSA-N 359.227 3.600 0 40 FHAB CCCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 28491820 RRLGMQWDRKIMJW-UHFFFAOYSA-N 360.479 3.634 0 40 FHAB COc1ccccc1NC(=O)Cn1c(-c2ccccn2)nc2ccccc21 28539784 PJEVIZDNOMRDFN-UHFFFAOYSA-N 358.401 3.746 0 40 FHAB O=C(NC[C@H]1CCCO1)c1ccccc1-c1ccc(Cn2cccn2)cc1 32907791 FPQYMGQSTZUOCB-LJQANCHMSA-N 361.445 3.507 0 40 FHAB C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)NC4CCCCC4)cc3c2C1 32945379 ZVWAVZUZCDFZQL-AWEZNQCLSA-N 368.477 3.898 0 40 FHAB CCCCCNC(=O)c1cccnc1Sc1ccc2c(c1)OCCO2 36022418 RCQZQHLWEZYBHI-UHFFFAOYSA-N 358.463 3.924 0 40 FHAB COc1cc(C(=O)Nc2ccc(N3CCCC3)nc2)ccc1OC(C)C 36398863 IGQGRLZBXPVCCO-UHFFFAOYSA-N 355.438 3.730 0 40 FHAB O=C(CN1CCCc2cc(F)c(F)cc21)Nc1ccccc1OC(F)F 40086150 LRDDKXKSUILATA-UHFFFAOYSA-N 368.330 3.958 0 40 FHAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1cc(-c2cccc(F)c2)no1 40108687 UMBQODNZWJSGMK-UHFFFAOYSA-N 350.353 3.629 0 40 FHAB COc1ccc(NC(=O)c2ccc(NC(=O)c3scnc3C)cc2)cc1 40139067 WDOPSGKCKOMKIJ-UHFFFAOYSA-N 367.430 3.965 0 40 FHAB Cc1noc(C)c1CSc1ccccc1C(=O)N1C[C@H](C)O[C@@H](C)C1 40159857 AQIJDNRXCBVPDJ-STQMWFEESA-N 360.479 3.833 0 40 FHAB CC(C)(C)OC(=O)[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)N1Cc1ccccc1 43224415 BDTOBCOZJBFZED-IRXDYDNUSA-N 361.482 3.703 0 40 FHAB COC(=O)c1sc(Cl)cc1S(=O)(=O)Nc1cccc(Cl)c1 44921519 FOMNHBGXZWQHBT-UHFFFAOYSA-N 366.247 3.642 0 40 FHAB O=C(Nc1ccc(CN2CCCC2)cc1)c1cccc(Cn2ccnc2)c1 45085627 UOVXJZUUGNZANY-UHFFFAOYSA-N 360.461 3.780 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 47196131 GFCGZVZSKURRHL-INIZCTEOSA-N 351.450 3.501 0 40 FHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(N2CCC(C)=N2)cc1 48235076 BMHYLXZNWUNRLR-UHFFFAOYSA-N 365.433 3.664 0 40 FHAB O=C(CCC(=O)N1CCC[C@H]1c1cccs1)N1CCc2sccc2C1 55008356 DDZMUZITBVCXAS-HNNXBMFYSA-N 374.531 3.838 0 40 FHAB CC[C@H](c1nnnn1C1CCCC1)N1CCN(c2cc(C)ccc2C)CC1 57669553 JOFVXNVOHVWVHD-LJQANCHMSA-N 368.529 3.678 0 40 FHAB FC(F)(F)c1ccc(NCc2ccc(CN3CCOCC3)cc2)nc1 58166969 HTIAPMZQRYLXBK-UHFFFAOYSA-N 351.372 3.545 0 40 FHAB O=C(NC1CCC(O)CC1)N1CC=C(c2cccc3ccccc23)CC1 58217250 VKHVXCHIEAGBQX-UHFFFAOYSA-N 350.462 3.942 0 40 FHAB C/C(=C\C(=O)N1CCC(C(=O)Nc2cc(C)ccn2)CC1)c1ccccc1 58514656 MGGNRGVNCRYBRS-BMRADRMJSA-N 363.461 3.671 0 40 FHAB COc1ccc(Cl)cc1C(=O)NC[C@@H](O)c1ccccc1C(F)(F)F 60127665 JGCDXIXZDRKFLU-CQSZACIVSA-N 373.758 3.831 0 40 FHAB O=S(=O)(NCc1ccc(-n2cnc3ccccc32)cc1)c1ccccc1 60923788 ZBSAVVALFSFUCH-UHFFFAOYSA-N 363.442 3.504 0 40 FHAB COC(=O)c1cc(OCc2ccccc2C)c2cc(OC)c(OC)cc2n1 65033499 PUGRDIWUMAQDKG-UHFFFAOYSA-N 367.401 3.926 0 40 FHAB Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)Cc1c(C)noc1C 68821888 DHQBXZLOQRHZDW-ZDUSSCGKSA-N 369.465 3.653 0 40 FHAB Cc1ncc(CN(C)C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)s1 69519269 VPESLSDXWCAGTQ-MRXNPFEDSA-N 361.467 3.673 0 40 FHAB FC(F)(F)c1ccc([C@H]2CCCC[C@@H]2Nc2ccc3nnnn3n2)cc1 72310224 KZPGUSVUJKSBJT-KGLIPLIRSA-N 362.359 3.676 0 40 FHAB COCC(=O)N1CCC[C@H](c2cc(Cc3ccccc3Cl)cc(C)n2)C1 72353873 QHYVXWJZIKAHTO-SFHVURJKSA-N 372.896 3.987 0 40 FHAB O=C(c1cccc(F)c1)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 72390072 FECFHJMRKFNBHP-CYBMUJFWSA-N 357.410 3.957 0 40 FHAB O=C(/C=C/c1ccco1)N1CCC(c2nnc(-c3ccco3)s2)CC1 75149300 WFOFBITVHLJJEK-AATRIKPKSA-N 355.419 3.811 0 40 FHAB CN(C)c1cccc([C@@H]2CCCN2S(=O)(=O)Cc2ccccc2F)c1 78775448 WRPDYOVUGBWJEC-IBGZPJMESA-N 362.470 3.559 0 40 FHAB O=C(O)c1cccc(-c2ccc([C@H]3SCC(O)=Nc4[nH]ncc43)o2)c1 79486145 MKTQEMZTTFSMBX-HNNXBMFYSA-N 355.375 3.792 0 40 FHAB CCc1ccc2nc(NC(=O)c3ccc(N4CCCC4)nn3)sc2c1 83825579 NSCMXAQRJUHQMV-UHFFFAOYSA-N 353.451 3.501 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)C(=O)c1c(C)[nH]c2ccccc12 84027050 QTYPQVASLIADSX-UHFFFAOYSA-N 374.396 3.875 0 40 FHAB CCc1ccc(CN(C)C(=O)C(=O)Nc2cccc([C@@H](C)OC)c2)cc1 95423250 VIHJCGNQWFAZEQ-OAHLLOKOSA-N 354.450 3.554 0 40 FHAB CC(C)CNC(=O)CN(C)[C@H](C)c1ccc(-n2cnc3ccccc32)cc1 95455998 LSVJXTHFJQWFKA-QGZVFWFLSA-N 364.493 3.791 0 40 FHAB C[C@H]1CN(c2ccccc2NC(=O)c2c(O)cc(F)cc2F)C[C@@H](C)O1 95956702 SXYLSPPRHSTDFS-TXEJJXNPSA-N 362.376 3.536 0 40 FHAB CSc1ccc([C@H](O)CNC(=O)c2ccc(OC(F)(F)F)cc2)cc1 96103156 SIOZWUQSJLPPLJ-OAHLLOKOSA-N 371.380 3.771 0 40 FHAB Cc1cccc(NC(=O)N2CC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c1 96238762 TZSCJDMAMDZEBB-OAQYLSRUSA-N 367.424 3.795 0 40 FHAB COc1cccc([C@@H](CNS(=O)(=O)c2cccc3ccccc23)OC)c1 96390290 WYXMVQFORJQAEG-LJQANCHMSA-N 371.458 3.514 0 40 FHAB CCN1c2cc(C(=O)Nc3ccc(F)cc3)ccc2C(=O)N2CCCC[C@H]21 97944089 JNYJRGBFBYQTPE-IBGZPJMESA-N 367.424 3.870 0 40 FHAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 100377244 YBZPUNZGOXWAAB-BCIPIUJLSA-N 367.754 3.916 0 40 FHAB CN1/C(=c2\c(=O)sc3nc4ccccc4n23)Sc2ccc(Cl)cc21 102132289 CGEQJJREODHMPZ-PFONDFGASA-N 371.874 3.589 0 40 FHAB C[C@H]1Oc2ccccc2N(CCc2nc(-c3cccc(Cl)c3)no2)C1=O 109469117 AIGBAMPLUIMPAQ-GFCCVEGCSA-N 369.808 3.747 0 40 FHAB COc1cccc(C(=O)N2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)c1O 174697551 SKGREVAPICAIJH-KXBFYZLASA-N 355.434 3.620 0 40 FHAB C[C@@H](CCCC(C)(C)O)NC(=O)C1CCN(C[C@@H](C)c2ccccc2)CC1 199423562 MTWFMTLOARDNDQ-MOPGFXCFSA-N 374.569 3.948 0 40 FHAB O=C(Nc1ccsc1-c1nc(C2CC2)no1)c1noc2c1CCCC2 206668258 WSGSLDIBLYILIG-UHFFFAOYSA-N 356.407 3.795 0 40 FHAB COc1cccc(OCc2cc(C(=O)NC3CCCC3)ccc2OC)c1 224249782 TVAINCDFLBIJSZ-UHFFFAOYSA-N 355.434 3.955 0 40 FHAB Cc1cccc(CS(=O)(=O)Nc2nnc(SCC(C)C)s2)c1 224567721 OASCPENJPIPLQR-UHFFFAOYSA-N 357.526 3.537 0 40 FHAB CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225117751 JAMIREFBZNIDOM-UHFFFAOYSA-N 367.442 3.837 0 40 FHAB CCOc1ccc(C(=O)NCc2nc(-c3cccc(C)c3)no2)cc1C 225217050 VSHDESVBGISZQB-UHFFFAOYSA-N 351.406 3.682 0 40 FHAB Cc1cc(C)cc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 225476540 HSDNJPHBRZRCBN-IBGZPJMESA-N 366.505 3.788 0 40 FHAB O=C1CCCN1c1cccc(NC(=S)NCCCc2ccc(F)cc2)c1 225548616 BRJVLBMZQGOVLD-UHFFFAOYSA-N 371.481 3.872 0 40 FHAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc21 225686886 QEFFCXGBYZUVLX-UHFFFAOYSA-N 368.867 3.537 0 40 FHAB Cc1cc(C)cc(OCC(=O)Nc2cc(C)c3nc(NN)sc3c2)c1 226313193 NAPKEKAEXQDRGP-UHFFFAOYSA-N 356.451 3.525 0 40 FHAB Cc1c(NC(=S)NC(=O)CC(C)C)cccc1-c1ccc(C(=O)O)o1 226350891 GILXWHMACONHNL-UHFFFAOYSA-N 360.435 3.812 0 40 FHAB O=C1C[C@]2(CC[C@@H]3[C@H](C(=O)NC4CCCC4)[C@@H]32)Oc2ccc(Cl)cc21 248006873 UESWYPBEAXCAOH-DDDRJPGCSA-N 359.853 3.759 0 40 FHAB O=C(Nc1nccs1)c1cccc([C@H]2CCCN2Cc2cscn2)n1 257239044 HNRIHVSKKJXVCF-OAHLLOKOSA-N 371.491 3.584 0 40 FHAB CC(C)c1cc(C(=O)N2CCC3(CC(Nc4ccncn4)C3)C2)cs1 257246247 ITHBPZOKZTVHII-UHFFFAOYSA-N 356.495 3.768 0 40 FHAB CCOc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1Cl 260622109 RCEBPJZBQDDZEA-GFCCVEGCSA-N 351.855 3.879 0 40 FHAB CCO[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]3C[C@@H]3OB(O)O[C@@H]32)C1 263606809 RHGZNNOBMYWNIZ-XLVUHOLYSA-N 362.319 3.805 0 40 FHAB Cc1ccc2nsnc2c1NC(=S)NC(=O)c1cc2ccccc2o1 408574473 RCQRPUCFIFEAFC-UHFFFAOYSA-N 368.443 3.873 0 40 FHAB O=C(NC1CC1)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 408978501 MMJODQAQGFFXLD-UHFFFAOYSA-N 367.412 3.646 0 40 FHAB Cc1ccccc1CCC(=O)N1Cc2ccccc2[C@@H](c2cnn(C)c2)C1 585409821 SSMTUMLXEQEWNK-JOCHJYFZSA-N 359.473 3.835 0 40 FHAB Cc1noc(C)c1S(=O)(=O)N(C)Cc1c(Cl)oc2ccccc12 622018255 DBUCVRIIXFHEEX-UHFFFAOYSA-N 354.815 3.512 0 40 FHAB O=C(NC1CC(C(F)(F)F)C1)N[C@H](Cc1ccccc1)c1ncco1 654564140 BBPLWVBLTXBVLL-JXQTWKCFSA-N 353.344 3.599 0 40 FHAB C=CC(=O)Nc1ccc(O)c(C(=O)N(CCc2cccc(F)c2)C2CC2)c1 1293606140 FEVRBNGSWBNQTP-UHFFFAOYSA-N 368.408 3.503 0 40 FHAB Cc1cc(C)n(Cc2cccc(C(=O)NCc3cc(F)cnc3Cl)c2)n1 1527504689 NLBVNTWOHNNRLF-UHFFFAOYSA-N 372.831 3.666 0 40 FHAB CCOP(=O)(CC(=O)Nc1ccc(N2CCCC2)cc1C)OCC 1776003958 GXCGKYYAFHZSDT-UHFFFAOYSA-N 354.387 3.800 0 40 FHAB O=S(=O)(Nc1ccn(Cc2c(F)cccc2Cl)n1)c1cccs1 2778571 CATLTDCLDAQHDF-UHFFFAOYSA-N 371.846 3.586 0 40 FHAB CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cc(-c2ccccc2)on1 2793978 XLDAJOJTNVQPAJ-UHFFFAOYSA-N 358.401 3.800 0 40 FHAB CCOC(=O)c1sc2ncnc(Nc3ccc4c(c3)OCO4)c2c1C 756911 ZWKQFZGMBNZHLX-UHFFFAOYSA-N 357.391 3.649 0 40 FHAB Cc1ccc(C)c(NC(=O)COC(=O)COc2ccc(Cl)c(C)c2)c1 3253872 SDSNQVMQXDWDBS-UHFFFAOYSA-N 361.825 3.826 0 40 FHAB C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 4063411 REJBTXQSIQFRRE-UJVSVREFSA-N 372.505 3.813 0 40 FHAB biogenic Cc1ccc(C)c(NC(=S)N2CCC(NC(=O)c3ccccc3)CC2)c1 4857520 VDAPOFQSYLNPNP-UHFFFAOYSA-N 367.518 3.895 0 40 FHAB CCCCn1c(S[C@@H](C)C(=O)NC2CCCC2)nc2ccccc2c1=O 6034813 ZJTCWDVZHHBPGI-AWEZNQCLSA-N 373.522 3.736 0 40 FHAB O=C(Nc1cccc2ncccc12)c1cccc(NC(=O)[C@@H]2CCCO2)c1 24731086 LOOLZLHIMPQXAW-IBGZPJMESA-N 361.401 3.605 0 40 FHAB CCn1cc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)c2ccccc21 24969426 OBOQRIRNBJCGLO-UHFFFAOYSA-N 361.445 3.940 0 40 FHAB Cc1ccnn1C[C@@H](C)c1cc(O)n2nc(-c3ccc(F)cc3)cc2n1 100775903 QOQNKRFUEALHBE-GFCCVEGCSA-N 351.385 3.550 0 40 FHAB Cc1ccsc1CNC(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 26176705 RCTWLWKXTSTLER-AWEZNQCLSA-N 355.467 3.540 0 40 FHAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3cnn(C)c3)cc2)o1 24585415 UGGOSTFGURYVLL-UHFFFAOYSA-N 359.389 3.698 0 40 FHAB CCOc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(C)cc2)cc1 9643887 GLYICAAFJJVCQW-UHFFFAOYSA-N 368.462 3.954 0 40 FHAB O=C(COc1cccc(Cl)c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12601768 FCOLKOWHOSGRHV-QGZVFWFLSA-N 355.825 3.959 0 40 FHAB C[C@@H](C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1)N1CCc2ccccc21 58045690 RJYXGWTWUYOZRJ-INIZCTEOSA-N 372.472 3.630 0 40 FHAB Cc1ccc(F)cc1C(=O)Nc1ccccc1C(=O)NCC(F)(F)F 10025155 OHPBRFSLJKNSLW-UHFFFAOYSA-N 354.303 3.679 0 40 FHAB O=C(c1ccc(Cl)o1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 58118758 KAMTWTJNFAHJEN-UHFFFAOYSA-N 373.762 3.699 0 40 FHAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(Br)cc2F)s1 3384740 ZDJBCIWTWSMIBG-UHFFFAOYSA-N 372.215 3.754 0 40 FHAB COc1cc(CNc2ncnc3c2[nH]c2ccccc23)cc(OC)c1OC 2419899 CPKULAUHGGEJKF-UHFFFAOYSA-N 364.405 3.749 0 40 FHAB C[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1nnc2ccccn12 48374431 WHCDVNJWCAECMY-GFCCVEGCSA-N 350.353 3.619 0 40 FHAB Cc1nn(C)c2sc(C(=O)Nc3nnc(-c4ccccc4)s3)cc12 11806419 NDTFLOWJIUJMPJ-UHFFFAOYSA-N 355.448 3.714 0 40 FHAB CCOc1ccc(Cl)c(C(=O)NCC(C)(C)c2ccccc2F)n1 60338107 LJCYYVLVDVXZMI-UHFFFAOYSA-N 350.821 3.980 0 40 FHAB CSc1ccc(C(=O)COC(=O)c2ccc(C)s2)cc1NC(C)=O 12890295 JXGXBKNVDFEFQR-UHFFFAOYSA-N 363.460 3.777 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)NCc2ccccc2CN2CCCC2)c1 24189396 ZFNNCDNBHXWGHR-SFHVURJKSA-N 352.478 3.675 0 40 FHAB c1cc2c(cc1CNC1=NN=C(c3ccc4c(c3)CCC4)CS1)OCO2 8943924 XOOBQJPCKPGMHB-UHFFFAOYSA-N 365.458 3.501 0 40 FHAB COc1cc(CC(=O)N(C)[C@@H]2CCCc3ccccc32)cc(OC)c1OC 12977016 KWNWOYVVFNZDDX-GOSISDBHSA-N 369.461 3.791 0 40 FHAB Cc1cc(C)c(NC(=O)CN(C)Cc2cc(F)cc3c2OCOC3)c(C)c1 12906138 OQSNQGGWKLAEKL-UHFFFAOYSA-N 372.440 3.688 0 40 FHAB Cc1cc(C)c(-c2csc(NC(=O)CNC(=O)C(C)(C)C)n2)cc1C 8939349 MQZYGJLWFTVFLT-UHFFFAOYSA-N 359.495 3.836 0 40 FHAB C[C@H](OC(=O)c1ccc(O)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 5060696 PONIMKCEDIGIGA-VIFPVBQESA-N 354.189 3.883 0 40 FHAB COC(=O)[C@@H](C)Oc1ccc2c(C)c(-c3ccc(OC)cc3)c(=O)oc2c1 4340320 DVWFGFMQGPXMDX-CYBMUJFWSA-N 368.385 3.717 0 40 FHAB biogenic O=C(Cc1ccc(Cl)cc1Cl)NCCc1ccc2c(c1)OCO2 14170430 WIRBILWWERLTOV-UHFFFAOYSA-N 352.217 3.624 0 40 FHAB O=C1CN(C(=O)c2ccc(SC(F)(F)F)cc2)c2ccccc2N1 14233845 VTBGZCVPNCYANF-UHFFFAOYSA-N 352.337 3.897 0 40 FHAB Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1 19796407 JUQCIRUCLVSVTO-UHFFFAOYSA-N 365.414 3.702 0 40 FHAB CCOc1ccc(NC(=S)NNC(=S)Nc2ccc(C)cc2C)cc1 4614811 JZRIXJHYKFQCGG-UHFFFAOYSA-N 374.535 3.890 0 40 FHAB Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)ccc1Cl 6607371 MAEAONPFIQHZKR-UHFFFAOYSA-N 359.838 3.616 0 40 FHAB CC(C)[C@H](NC(=O)c1cn(C)c(=O)c2ccccc12)c1nc2ccccc2[nH]1 96231539 KGPVHBBNHABQIE-IBGZPJMESA-N 374.444 3.542 0 40 FHAB CC[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(F)cc2)n1C 6913889 SDFFYMQNWOHBTG-HNNXBMFYSA-N 362.474 3.504 0 40 FHAB CCOc1cccc2cc(C(=O)NCc3ccccc3Cl)c(=O)oc12 4988199 IUFMGVZVNDBEPG-UHFFFAOYSA-N 357.793 3.775 0 40 FHAB O=c1c2sccc2n(Cc2ccc(F)c(F)c2)c(=O)n1-c1ccccc1 67258017 DUNDAFWINPHRJD-UHFFFAOYSA-N 370.380 3.540 0 40 FHAB C[C@@H](Sc1nnc(-c2ccccc2F)n1C)C(=O)NC1CCCCC1 7235828 BLHFTYPMMFXFQS-GFCCVEGCSA-N 362.474 3.551 0 40 FHAB O=C(NCc1ccc(Cn2cccn2)cc1)c1cnc(Cl)c(Cl)c1 16302056 DAZKJHUZKPNWDZ-UHFFFAOYSA-N 361.232 3.563 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)CN(C)[C@H]2CCCc3ccccc32)c1C 8126328 XBDUNYKHYHIULJ-KRWDZBQOSA-N 354.450 3.610 0 40 FHAB COc1ccc(CN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C2CC2)cc1 8157355 FXLLEPSKSWVESU-IBGZPJMESA-N 357.837 3.843 0 40 FHAB CN(Cc1nc2ccccc2s1)C(=O)COc1ccc2c(c1)CCC2 8264446 PVPNMDSEIWRCES-UHFFFAOYSA-N 352.459 3.822 0 40 FHAB COc1cc(CNC(=O)c2oc3ccccc3c2C)cc(OC)c1OC 9549622 UXRXDXPROYVQNC-UHFFFAOYSA-N 355.390 3.697 0 40 FHAB CCCCn1nc(C)c2c(C(=O)N[C@@H](C)c3ccnn3CC)cc(C)nc21 17075606 VYFAGMHAERNCNH-AWEZNQCLSA-N 368.485 3.556 0 40 FHAB Cc1cc(NC2CCC(O)(c3ccccc3)CC2)n(Cc2ccccn2)n1 95943631 RLOFRHGEFUXNMC-UHFFFAOYSA-N 362.477 3.877 0 40 FHAB COC(=O)[C@@H](CC(C)C)NCc1ccc(OCc2csc(C)n2)cc1 97164442 KMVOUSOFUGVGKB-GOSISDBHSA-N 362.495 3.708 0 40 FHAB CCCn1ccc(C(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)n1 28242113 ZZQHBUYWPQAXFE-UHFFFAOYSA-N 351.454 3.715 0 40 FHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 20450376 PPFKXVSGPWBXJL-UHFFFAOYSA-N 374.245 3.971 0 40 FHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 40140917 PMMOVELMTPEXFA-KGLIPLIRSA-N 356.388 3.727 0 40 FHAB CCc1ccc(-n2c(SCC(=O)OC)nnc2-c2ccccc2)cc1 409095516 HRIUNRZWZHHDQL-UHFFFAOYSA-N 353.447 3.762 0 40 FHAB COc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1Cl 72227935 REVINFKQSPRNON-GJZGRUSLSA-N 370.758 3.783 0 40 FHAB c1ccc(CCN2CCCC[C@@H]2c2ccnc(Nc3cncnc3)n2)cc1 72377579 HZHSHNOTTHKUGX-HXUWFJFHSA-N 360.465 3.780 0 40 FHAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)CSCc2ccc(F)cc2)C1 216327249 ANLIQVCKOXPDIN-IYBDPMFKSA-N 352.519 3.543 0 40 FHAB Cc1nn2c(N3CCC(O)CC3)c3c(nc2c1-c1ccccc1)CCCC3 72341774 YCSWPHNZZBCIRP-UHFFFAOYSA-N 362.477 3.545 0 40 FHAB Cc1cccc2sc(NC(=O)CN3C(=O)CSc4ccccc43)nc12 39978210 NEPHZCDQNZJYFS-UHFFFAOYSA-N 369.471 3.682 0 40 FHAB Cc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4cnccn4)C3)n2)c1 72349184 BPBKGBUDYXFETP-GOSISDBHSA-N 358.445 3.867 0 40 FHAB C[C@@H](NCC(=O)NCCc1ccc(F)cc1)c1ccc2c(c1)CCCC2 49581179 MTSNIBHZAGONAZ-MRXNPFEDSA-N 354.469 3.714 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C 223770371 TWABEMMGLHDIIT-INIZCTEOSA-N 372.896 3.744 0 40 FHAB COc1cc(-c2nc(CNc3ccc(Cl)cc3)n[nH]2)cc(OC)c1OC 40174523 YONQVQXTYHGMGJ-UHFFFAOYSA-N 374.828 3.763 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 223195153 SLVNKVJXDDTJLV-LJQANCHMSA-N 372.896 3.744 0 40 FHAB C[C@@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccc2c(c1)OCO2 45956893 YMTZGACDJZEHDF-SNVBAGLBSA-N 373.352 3.882 0 40 FHAB COC(=O)c1cccc(NC(=S)N[C@@H](C)COc2ccc(C)c(C)c2)c1 225790896 OMZAJEGTPAWLNR-HNNXBMFYSA-N 372.490 3.844 0 40 FHAB CCOc1cccc(NC(=S)NCc2ccc(OC)c(OCC)c2)c1 225770957 FSPGQRAFWITGRU-UHFFFAOYSA-N 360.479 3.979 0 40 FHAB O=C(OC1CN(c2nc3c(F)cc(F)cc3s2)C1)c1ccsc1 75172349 MSSLHNXORSHLDH-UHFFFAOYSA-N 352.387 3.682 0 40 FHAB COc1ccc(-c2nc(N)cc(Nc3cccc(C(C)=O)c3)n2)cc1OC 49468208 MIOFBHYWUSQYKY-UHFFFAOYSA-N 364.405 3.689 0 40 FHAB O=C(CCNC(=O)NC1CCCCC1)Nc1ccc(O)c2ccccc12 40040429 CWKFIDHQZZPZOU-UHFFFAOYSA-N 355.438 3.506 0 40 FHAB COc1ccc(OC)c(C[C@@H](Oc2ccc3ccccc3c2)C(=O)O)c1 225115955 OVKMTTJBPFMKJH-HXUWFJFHSA-N 352.386 3.932 0 40 FHAB O=C(c1ccc(NC(=S)NCc2cccc(F)c2)cc1)N1CCCCC1 225837549 VKZBMDVATWLBRB-UHFFFAOYSA-N 371.481 3.938 0 40 FHAB CN(CC(=O)NCc1ccco1)c1nc2c(C(F)(F)F)cccc2s1 77196806 GBCGCYHLWFEBPW-UHFFFAOYSA-N 369.368 3.661 0 40 FHAB Cc1ccc(N(C)S(=O)(=O)c2ccc(Br)cc2)cc1C 224724032 DCZMCAYUADCGCQ-UHFFFAOYSA-N 354.269 3.891 0 40 FHAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 222769327 LNEWKZAFBQKQGQ-OLZOCXBDSA-N 368.325 3.898 0 40 FHAB CCOC(=O)c1nc2c(Cl)cc(C(F)(F)F)cn2c1Br 95215859 NCAWNHDHLNSYQJ-UHFFFAOYSA-N 371.540 3.946 0 40 FHAB c1ccc(CCN2CCC[C@@]3(C[C@H](CNc4nccs4)CO3)C2)cc1 96075712 ODTCPRFBVSPXNF-UYAOXDASSA-N 357.523 3.669 0 40 FHAB CO[C@@H](CNC(=O)c1cc(Br)cs1)c1cccc(F)c1 96388327 AQZRTGDQZCFTPI-LBPRGKRZSA-N 358.232 3.767 0 40 FHAB O=C(NCc1cccs1)[C@H]1C[C@]12CCN(C(=O)c1ccc(Cl)cc1)C2 96227661 SDAYMWRXZNYEKD-APWZRJJASA-N 374.893 3.570 0 40 FHAB CNc1ncccc1CN1CCC[C@@H]1c1cncc(-c2c(C)noc2C)n1 257325473 WTBBOIQXWMWDIV-GOSISDBHSA-N 364.453 3.522 0 40 FHAB CN1CCCC[C@@H]2N(C(=O)COc3ccccc3Cl)CCC[C@@]21C 257339211 ZASNOHVGCAOTQW-HKUYNNGSSA-N 350.890 3.584 0 40 FHAB Cn1cc([C@H](NC(=O)N[C@@H]2[C@@H](c3ccccc3)C2(C)C)C(F)(F)F)cn1 626539101 CLLXXLPCDCLYBF-QLFBSQMISA-N 366.387 3.515 0 40 FHAB Cc1cccc(C(NC(=O)[C@H]2CCCc3nn[nH]c32)c2cccc(C)c2)c1 612074133 FPRDYAYSKSDPFQ-SFHVURJKSA-N 360.461 3.747 0 40 FHAB CCc1ccc(F)cc1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1138265852 TVPRWEZOQNGXIU-OAHLLOKOSA-N 350.434 3.517 0 40 FHAB CO[C@H]1C[C@H](N(C)C(=O)Nc2cc(Br)cnc2C)C12CCC2 653582821 KNZYGHVYOGLNHU-KBPBESRZSA-N 368.275 3.574 0 40 FHAB Cc1oncc1CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 575604703 DKNRWAHWNPZABO-UHFFFAOYSA-N 352.234 3.951 0 40 FHAB CN(C)C(=O)Cc1ccc(NC(=O)N[C@@H]2[C@@H](c3ccccc3)C2(C)C)cc1 585123600 JGYQZEANJPRARI-WOJBJXKFSA-N 365.477 3.631 0 40 FHAB CCOC(=O)c1cc(Br)c2cccc(Br)c2n1 685936896 DWLDRFGKTDGTGO-UHFFFAOYSA-N 359.017 3.937 0 40 FHAB CCOC(=O)c1cc(Br)c2c(Br)cccc2n1 685936840 CBZIOIGQNFWQEZ-UHFFFAOYSA-N 359.017 3.937 0 40 FHAB CC(C)C[C@H](CNC(=O)NCc1ccncc1)N[C@H](C)c1ccccc1 72289619 XCKBBVGNAKUILG-YLJYHZDGSA-N 354.498 3.646 0 40 FHAB CCNC(=O)c1ccc(NC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)cc1 77274032 DQYZQBPRJUCXKZ-PBHICJAKSA-N 369.440 3.985 0 40 FHAB c1ccc(-c2csc3ncnc(NCCc4nnc5n4CCC5)c23)cc1 78330664 RRGXDYRXNOWIIE-UHFFFAOYSA-N 362.462 3.551 0 40 FHAB CC[C@H](C)N(CC(=O)N[C@H](C)c1cc(OC)ccc1OC)[C@H](C)CC 95996020 KMCKFRVZEATJEA-OWCLPIDISA-N 350.503 3.780 0 40 FHAB COc1ccc(Cl)cc1NC(=O)COC(=O)Cc1ccc(Cl)cc1 5614103 OJRKMKGZZODZQW-UHFFFAOYSA-N 368.216 3.726 0 40 FHAB CC1(C)Cc2nc(N3CCCC3)ncc2[C@H](NC(=O)C2CCCCC2)C1 12220991 DRYXJWDJBGOGJK-QGZVFWFLSA-N 356.514 3.787 0 40 FHAB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=S)N[C@@H]1c1ccc(O)cc1 12554821 ZLJHVJSGQDIJOB-GOSISDBHSA-N 368.458 3.583 0 40 FHAB O=C(CSc1nc2sccc2c(=O)[nH]1)Nc1ccc(Cl)cc1F 16543444 ACGNJPLCBYDLGR-UHFFFAOYSA-N 369.830 3.508 0 40 FHAB CNc1ncc(C(=O)Nc2nc(-c3cc(C)c(OC)cc3C)cs2)cn1 19666021 WRUZFHCSBKBFPL-UHFFFAOYSA-N 369.450 3.520 0 40 FHAB Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)[nH]n2)cc1 19666470 XGXPQWLXXRBKAB-AWEZNQCLSA-N 363.417 3.647 0 40 FHAB CN1CCCCC[C@@H]2N(C(=O)c3nccn3C)[C@H](c3ccccc3)C[C@@]21C 19713537 FMJMJEXLSDXZKJ-IPJJNNNSSA-N 366.509 3.640 0 40 FHAB CCc1cc(C(=O)Nc2ccccc2CN2CCCC2)c2c(C)noc2n1 19714504 MGBHXXHKJFSUSC-UHFFFAOYSA-N 364.449 3.942 0 40 FHAB CCCOc1nn(CCC)cc1C(=O)Nc1cc(Cl)ccc1OC 9071189 RNLTWPBWJJKQRF-UHFFFAOYSA-N 351.834 3.996 0 40 FHAB O=C(Nc1ccc(Br)cc1)c1ccc2nc(C3CC3)cn2n1 1888911958 ORCLYYCYHMWQAK-UHFFFAOYSA-N 357.211 3.622 0 40 FHAB Cc1cccc(N2CCN(C(=O)[C@@H]3Cc4cc(Cl)ccc4O3)CC2)c1C 15585106 VFFLPCKDLOTFBR-FQEVSTJZSA-N 370.880 3.609 0 40 FHAB O=C(Cc1c(F)cccc1Cl)NC[C@@H](c1ccsc1)n1cccn1 575612560 BDIPSWXWIJRHQI-INIZCTEOSA-N 363.845 3.685 0 40 FHAB C[C@@](O)(CNC(=O)c1csc(-c2ccccc2)n1)Cc1ccsc1 618256137 DJWHMJDKCFPPJJ-SFHVURJKSA-N 358.488 3.595 0 40 FHAB O=C(NC[C@H]1CCCN1c1ccccc1)c1ccccc1Br 207992219 KMGJLKRVCIFIEB-OAHLLOKOSA-N 359.267 3.848 0 40 FHAB CC[C@H]1CCCN(C(=O)Nc2cc(OC)c(C(=O)OC)cc2Cl)C1 40120941 RTWVUVQSAHJHQM-NSHDSACASA-N 354.834 3.789 0 40 FHAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(-n2cccc2)c1 20903665 PTXQQWYVEDNNAD-UHFFFAOYSA-N 359.473 3.872 0 40 FHAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCC[C@H](C)C1 21555473 FXQXMDHJUGINQT-WFXCYSEUSA-N 360.542 3.602 0 40 FHAB Cc1nc2ccc(C(=O)Nc3cccc(CN4CCCC4=O)c3)cc2nc1C 32809072 ZIVSETPXCPBSAI-UHFFFAOYSA-N 374.444 3.621 0 40 FHAB COC(=O)c1cc(OCc2cc(-c3cccs3)on2)cc(C(=O)OC)c1 32857827 XDEBOFBKJKJYCW-UHFFFAOYSA-N 373.386 3.555 0 40 FHAB CCNC(=S)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 879966 WAXBAATUIQYJIL-UHFFFAOYSA-N 373.522 3.566 0 40 FHAB CCOC(=O)C1C(c2ccccc2)C(C(=O)OCC)C1c1ccccc1 885209 KYTCVXJWRAVWTM-UHFFFAOYSA-N 352.430 3.926 0 40 FHAB O=C(NC1CCCC1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 918406 FWUPLTAZNRDTFG-BXUZGUMPSA-N 368.359 3.809 0 40 FHAB COc1cc2cc(C)c(SCC(=O)N3CCC[C@H](C)C3)nc2cc1OC 928273 UJPSKKKVSFHILB-ZDUSSCGKSA-N 374.506 3.911 0 40 FHAB COC(OC)[C@@H]1Nc2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 1068860 VZNNJSKYDOXRCU-OAHLLOKOSA-N 366.339 3.723 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(F)c1 1343302 YJGFQYIEWIEFAG-KRWDZBQOSA-N 371.412 3.859 0 40 FHAB CC(C)N(CCOC(=O)C(O)(c1ccccc1)c1ccccc1)C(C)C 1692946 NHFIEMNGVIAFJO-UHFFFAOYSA-N 355.478 3.585 0 40 FHAB CCCC(=O)N1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(OC)cc1OC 2107483 JIMJQWPAOQTXPM-DUXKGJEZSA-N 361.482 3.699 0 40 FHAB biogenic COC(=O)c1ccc(CSc2nnc(C3CC3)n2Cc2ccccc2)o1 3293497 CTKIIKGOIOSJTJ-UHFFFAOYSA-N 369.446 3.876 0 40 FHAB O=C(COC(=O)CCCc1nc2ccccc2s1)Nc1cccc(F)c1 3378215 VCRJNMWIQSXAMB-UHFFFAOYSA-N 372.421 3.940 0 40 FHAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@H]1COc2ccccc2O1 3483570 IAHGURNPXMKJQQ-MRXNPFEDSA-N 356.378 3.728 0 40 FHAB O=C(COc1ccc(F)cc1Br)NCc1ccccc1Cl 3510474 XGKZCZGJIBKORO-UHFFFAOYSA-N 372.621 3.937 0 40 FHAB CC[C@]1(c2ccccc2)NC(=O)N(Cc2cccc(Br)c2)C1=O 4306557 NGHJJBLTMQWADF-GOSISDBHSA-N 373.250 3.806 0 40 FHAB O=C(COC(=O)c1ccc2ncsc2c1)N[C@@H]1CCCc2ccccc21 4546049 MOZCJKNTEAFEQT-MRXNPFEDSA-N 366.442 3.647 0 40 FHAB CCOC(=O)C1=NN[C@H](C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1 4899398 RKUJDFNXSWLLHC-IRXDYDNUSA-N 370.836 3.506 0 40 FHAB CCn1c(S[C@@H](C)C(=O)Nc2cccc(C)c2)nc2ccccc2c1=O 5213702 YUHZXYSLSPNJFO-AWEZNQCLSA-N 367.474 3.844 0 40 FHAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccnc1)N(c1cc(C)on1)C3=O 5243597 VZFUIJMYNBHKII-SFHVURJKSA-N 373.368 3.543 0 40 FHAB COc1cc(C(=O)Oc2c(OC)cccc2OC)ccc1OC(F)F 5462673 UKTAJXYFUUHHAM-UHFFFAOYSA-N 354.305 3.533 0 40 FHAB Cc1cccc(N2C(=O)/C(=C/NCc3ccccn3)c3ccccc3C2=O)c1 5705391 JIBMBTFRRHAYMJ-RCCKNPSSSA-N 369.424 3.708 0 40 FHAB Cc1ccc2nc(NC(=O)CSc3nnc(-c4ccco4)o3)sc2c1 6206800 FDMRVHPWNYEUBS-UHFFFAOYSA-N 372.431 3.979 0 40 FHAB COc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1NC(C)=O 6315937 HAFMYIXCHCGSAO-UHFFFAOYSA-N 370.430 3.608 0 40 FHAB CNC(=O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1 6669331 NLFKUAINYPPNNO-UHFFFAOYSA-N 361.323 3.609 0 40 FHAB CCN(Cc1cccc(F)c1)C(=O)CSc1ncnc2ccccc12 7151771 DHSCUVJHSLUETR-UHFFFAOYSA-N 355.438 3.910 0 40 FHAB O=c1[nH]c(CSc2nnc(C3CC3)n2C2CC2)nc2ccc(Cl)cc12 7179189 SXBIEAAFGRJGMY-UHFFFAOYSA-N 373.869 3.673 0 40 FHAB C#CCOc1ccccc1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)O 7342920 JKHAYCWYSHDEIE-ATVHPVEESA-N 350.399 3.793 0 40 FHAB COc1ccccc1NC(=O)c1cccc(NC(=O)c2cccc(N)c2)c1 7468301 WWDGYVUBRULMIR-UHFFFAOYSA-N 361.401 3.782 0 40 FHAB COc1ccc(OCCNC(=O)COc2ccc(C(C)(C)C)cc2)cc1 7815421 JYTZEDQARLIYGK-UHFFFAOYSA-N 357.450 3.567 0 40 FHAB Cc1[nH]c(SCC(=O)N[C@@H](C)c2cccnc2)nc1Cc1ccccc1 7988031 DECNSNFXASBTIB-AWEZNQCLSA-N 366.490 3.673 0 40 FHAB c1ccc(-n2c(SC[C@H]3CCOCO3)nnc2-c2cccs2)cc1 8089170 NPHXIOINOKXCTC-CQSZACIVSA-N 359.476 3.851 0 40 FHAB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2ccccc2)C1=O 8159846 VGRYJXIJWHFQIJ-MHWRWJLKSA-N 370.386 3.840 0 40 FHAB Cc1nn(-c2cccc(Cl)c2)nc1C(=O)Nc1ccnn1C1CCCC1 8232730 BEXTZCZNWGHYFT-UHFFFAOYSA-N 370.844 3.793 0 40 FHAB CC(=O)c1cc2c(cc1NC(=O)c1cnc(Cl)c(Cl)c1)OCO2 8395059 UTVWLESNSOZXPL-UHFFFAOYSA-N 353.161 3.572 0 40 FHAB O=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1cc(F)ccc1F 8768856 DVDQNLCAKFMFQZ-UHFFFAOYSA-N 358.266 3.509 0 40 FHAB CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nc3ccccc3n2C)cc1 8778790 QCKYTDZSDBWVSH-GFCCVEGCSA-N 353.447 3.895 0 40 FHAB O=C(NC1CCC(O)CC1)c1cc(-c2cccs2)nn1-c1ccccc1 8849356 GKJZBGMIRXIRBP-UHFFFAOYSA-N 367.474 3.634 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)c1ccc(OC)c(OC)c1OC 8980347 YXNVOHPRZAMFMX-UHFFFAOYSA-N 365.813 3.935 0 40 FHAB CC(=O)Nc1ccc(C(C)=O)cc1OCC(=O)Nc1cccc(Cl)c1C 9112294 KMURPCWZICSNLB-UHFFFAOYSA-N 374.824 3.827 0 40 FHAB CCc1ccccc1N1C[C@H](c2nnc(NC(=O)C(C)(C)C)s2)CC1=O 9199701 NUGMWEOLKLFSOI-CYBMUJFWSA-N 372.494 3.606 0 40 FHAB Cc1ccc(-c2noc(CCC(=O)NCCc3c[nH]c4ccccc34)n2)cc1 9314041 SKBGAVLZWUOGHQ-UHFFFAOYSA-N 374.444 3.818 0 40 FHAB CN(Cc1cc2cccc3c2n(c1=O)CCC3)C(=S)Nc1ccccc1 9423587 IICUOVIYCXOGPE-UHFFFAOYSA-N 363.486 3.777 0 40 FHAB COc1ccc(C(=O)Nc2ccccc2-c2nnc(SC)o2)cc1OC 10434409 VBXZVPXOMBCPBA-UHFFFAOYSA-N 371.418 3.728 0 40 FHAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl 10453466 UFVNNRMLPPOXBT-HNNXBMFYSA-N 352.217 3.508 0 40 FHAB CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)Sc2nncn2C2CC2)cc1 10649199 UGSYXTOSOVKBAA-LBPRGKRZSA-N 358.467 3.571 0 40 FHAB COc1cc(OC)c(N[C@@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1Cl 12749362 ACIDWOGTHYPIRS-XQQFMLRXSA-N 354.878 3.662 0 40 FHAB Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)c2c[nH]c3ccccc23)c1 12760637 XHOMUYRRAQUIKU-ZDUSSCGKSA-N 363.446 3.816 0 40 FHAB O=C(Nc1ncccc1O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 12781467 ICGXENMLNBLYHN-UHFFFAOYSA-N 366.396 3.633 0 40 FHAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)OCc1coc(-c2ccccc2)n1 12797943 JHQNWMHCYXTRFG-CQSZACIVSA-N 365.389 3.595 0 40 FHAB CCOc1cc2c(cc1N[C@@H](C)C(=O)NCc1cccs1)O[C@H](C)C2 12807683 QSWWQDHSSBCMKO-OLZOCXBDSA-N 360.479 3.587 0 40 FHAB COC(=O)[C@@H](C)NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 12813406 PJHTXVXQDDYGEL-GFCCVEGCSA-N 363.866 3.924 0 40 FHAB CC[C@H](NC(=O)Cn1c(S)nnc1-c1cccs1)c1ccc(C)cc1 12860108 RPOFCPFWKFBLLB-AWEZNQCLSA-N 372.519 3.871 0 40 FHAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)c1cc2cc(Cl)ccc2o1 12947573 SPFNATDRQUIICY-UHFFFAOYSA-N 359.809 3.978 0 40 FHAB Cc1nn2c3c(nnc2c1-c1ccc(F)cc1)C(=O)C[C@@H](c1ccco1)C3 14607730 MUJSHIMCIHEIHW-ZDUSSCGKSA-N 362.364 3.745 0 40 FHAB CCCn1nnc(NCc2ccc(OCc3ccc(Cl)cc3)cc2)n1 15356947 AZODJMSXIHLPQJ-UHFFFAOYSA-N 357.845 3.928 0 40 FHAB O=S(=O)(Nc1ccc2c(c1)CCC2)c1ccccc1Br 16094782 ZTIFZGMAQAPCTC-UHFFFAOYSA-N 352.253 3.739 0 40 FHAB COP(=O)(OC)c1nc(-c2ccc(C)cc2)oc1NCc1ccco1 16749857 FPEQJNDEQCRPPY-UHFFFAOYSA-N 362.322 3.966 0 40 FHAB Cc1cccc(-c2nnc(NC(=O)/C=C\c3ccc4c(c3)OCO4)s2)c1 17135557 TYSKSHIOQQPGHT-VURMDHGXSA-N 365.414 3.894 0 40 FHAB O=C(COc1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1)c1ccccc1 18241534 BEUONSLXYGXPFM-OALUTQOASA-N 363.413 3.628 0 40 FHAB C[C@@H]1C[C@H]1C(=O)N1CCC(c2nc3ccccn3c2NC(C)(C)C)CC1 19462805 IMPPOBNSPPUYNM-GDBMZVCRSA-N 354.498 3.907 0 40 FHAB CCc1[nH]c(=O)c(C(=O)N(Cc2cccnc2)C2CCCCC2)cc1C 19521430 BHFJLITYMGNJJZ-UHFFFAOYSA-N 353.466 3.616 0 40 FHAB CCn1nc2c(c1C(=O)N[C@@H](C)c1nc3ccccc3s1)CCCC2 19524101 YIUCMTHLFHRSDQ-LBPRGKRZSA-N 354.479 3.883 0 40 FHAB CCC(CC)C(=O)Nc1nc(-c2ccc3c(c2)N(C)C(=O)CO3)cs1 19796419 SESHGJYILORJSP-UHFFFAOYSA-N 359.451 3.540 0 40 FHAB COc1cccc(OC)c1C(=O)N[C@@H](C)c1cccc(Br)c1 20025472 OYUGHCXFECSGOY-NSHDSACASA-N 364.239 3.957 0 40 FHAB CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(CC(=O)O)cc2)cc1 20151633 BZJDVPINCHOPRB-UHFFFAOYSA-N 356.447 3.564 0 40 FHAB O=C(OCc1ccncc1)c1cn(-c2cccc(F)c2)c(=O)c2ccccc12 21360097 TWYVTFQMXQIGQK-UHFFFAOYSA-N 374.371 3.882 0 40 FHAB Cc1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1N1CCCC1=O 21695855 WVMGIDQYKLUMAD-UHFFFAOYSA-N 352.409 3.931 0 40 FHAB O=C(NCC1CCN(Cc2ccco2)CC1)c1cccc(C(F)(F)F)c1 23128008 FSRFZQVKTYSORZ-UHFFFAOYSA-N 366.383 3.940 0 40 FHAB Cc1cccc(NC(=O)c2ccccc2OCc2cn3ccccc3n2)n1 24987312 USPQWZVMTORNSN-UHFFFAOYSA-N 358.401 3.869 0 40 FHAB Cc1cccc(C)c1N1C(=O)C[C@@H](N(Cc2ccc(F)cc2)C2CC2)C1=O 25059182 ACMBGDHYRMLSLJ-LJQANCHMSA-N 366.436 3.739 0 40 FHAB Cc1ccccc1C(=O)NCCC(=O)OCc1ccccc1C(F)(F)F 25216234 IUGYKNIZEZLZRV-UHFFFAOYSA-N 365.351 3.877 0 40 FHAB C[C@@H](NC(=O)N[C@@H](c1ccccc1F)c1nccn1C)c1ccccc1F 29330493 BIFKCODWDSBOSY-ACJLOTCBSA-N 370.403 3.848 0 40 FHAB CC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)N[C@@H]1CCCC[C@@H]1C 32908149 OIIRIKGUEFDUCO-XHDPSFHLSA-N 361.511 3.652 0 40 FHAB CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]2c2cccs2)c1 32988680 TYWHCJLAWXZQHM-AWEZNQCLSA-N 369.895 3.782 0 40 FHAB O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)NC1CCCC1 33012591 RMQYBSUSWBJQGS-UHFFFAOYSA-N 363.417 3.841 0 40 FHAB C[C@@H]1Oc2c(C(=O)NC[C@@H](c3ccco3)N3CCCC3)cccc2[C@H]1C 35344178 XKNWBHPDACSULG-MPGHIAIKSA-N 354.450 3.731 0 40 FHAB NC(=O)C1CCN(C(=O)/C=C/c2ccc(-c3cccc(Cl)c3)s2)CC1 40087596 UGVYELWEPQLRHY-FNORWQNLSA-N 374.893 3.806 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)Cn1ccc2c(Cl)cccc21 40267105 VFKIOLRHUNAXHB-UHFFFAOYSA-N 371.824 3.900 0 40 FHAB O=C(O)CCCCCNC(=O)c1cc(-c2ccccn2)nc2ccccc12 40313090 UMULYIAHRAOELY-UHFFFAOYSA-N 363.417 3.672 0 40 FHAB biogenic O=c1cc(-c2ccccn2)nc2n(Cc3cccc(F)c3)c3ccccc3n12 40484753 YWYCFWKGEAWQCP-UHFFFAOYSA-N 370.387 3.899 0 40 FHAB Cc1ccc(CN(C)C(=O)Nc2cccc(C(=O)NC3CC3)c2)c(C)c1 43873674 DHLWEXYMBDYZFJ-UHFFFAOYSA-N 351.450 3.860 0 40 FHAB O=C(Nc1ccc(-n2cncn2)cc1)c1c2c(nc3ccccc13)CCC2 43965468 LEVRSBLCSSLLGK-UHFFFAOYSA-N 355.401 3.557 0 40 FHAB O=C(NC1=NCCS1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 44007414 QZZLLHKIYMQCNJ-UHFFFAOYSA-N 367.405 3.980 0 40 FHAB COc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCC3)cc2)cc1OC 44934638 OOOFOACGTNFHHM-INIZCTEOSA-N 368.477 3.791 0 40 FHAB Cc1nnc(CN(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)n1C 47541483 NTYLXHDZCAZAOH-HNNXBMFYSA-N 363.465 3.569 0 40 FHAB COc1ncccc1NC(=O)N1CCC(Oc2c(C)cccc2C)CC1 47549123 YFFOJNOYKLMOLA-UHFFFAOYSA-N 355.438 3.782 0 40 FHAB COC(=O)c1c(NCCc2ccccc2)c2cc(Cl)ccc2[nH]c1=O 49001537 AEMGMMLGYMFNKJ-UHFFFAOYSA-N 356.809 3.623 0 40 FHAB O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1ccc2c(c1)OCO2 51364471 FULCAQINXVXJGF-INIZCTEOSA-N 374.396 3.574 0 40 FHAB CCCCc1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1 52537556 XGJBORMADUCWTK-UHFFFAOYSA-N 369.484 3.929 0 40 FHAB CCN(CC)c1ccc(NC(=O)[C@H]2CC(c3ccc(OC)cc3)=NO2)cc1 54979093 PCMVOFMLFBUFKR-HXUWFJFHSA-N 367.449 3.673 0 40 FHAB Cc1ccccc1-c1noc(CNc2ccccc2N2CCC(O)CC2)n1 55887940 IKKGSLZRWMVVAQ-UHFFFAOYSA-N 364.449 3.618 0 40 FHAB CCOc1ccccc1NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 58006189 MLJSLJRWHUOOMF-UHFFFAOYSA-N 367.493 3.868 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCc1ccccc1N1CCCC1 60570466 RVBYVWWVRKBBBX-UHFFFAOYSA-N 361.445 3.576 0 40 FHAB C[C@H](NC(=O)C1(c2ccc(F)cc2)CC1)c1nc(-c2ccc(F)cc2)no1 69351519 PRKKNOLCGLXQSO-LBPRGKRZSA-N 369.371 3.924 0 40 FHAB Cc1cc(C)cc(-c2nc3cc(N4C[C@H](C(=O)O)CC4=O)ccc3o2)c1 70461268 NCTHQBPMHMTRDO-CQSZACIVSA-N 350.374 3.549 0 40 FHAB Cc1cc(C)cc(-n2cc(C(=O)NCc3ccc(F)cc3Cl)nn2)c1 71326410 XYHVRCZSDGGOAD-UHFFFAOYSA-N 358.804 3.607 0 40 FHAB Cc1ccccc1C(=O)NC1CCN(c2cc(C(F)(F)F)ccn2)CC1 72307826 AYVWAZSWYORWMH-UHFFFAOYSA-N 363.383 3.808 0 40 FHAB COc1ccc2ncc(S(=O)(=O)c3cccc(F)c3)c(Cl)c2c1 72329794 YZTIGCYQMFXCQK-UHFFFAOYSA-N 351.786 3.869 0 40 FHAB O=C(c1ccncc1)N1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1 72358722 VKVQWAZOHLJEBK-KRWDZBQOSA-N 362.408 3.698 0 40 FHAB O=C(c1ccc2cc[nH]c2c1)N1CCC[C@@H](c2nnc(C(F)(F)F)o2)C1 75165242 LGYRVPYAWVRKBZ-GFCCVEGCSA-N 364.327 3.590 0 40 FHAB CC(C)[C@H](Sc1nc(-c2ccccc2)cn1N)C(=O)N1CCCC[C@H]1C 84692151 PSRZWTGQPIFNEP-QAPCUYQASA-N 372.538 3.782 0 40 FHAB CCNc1nc(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)cs1 84791143 VUHMEYVVGFRLNY-UHFFFAOYSA-N 365.528 3.516 0 40 FHAB Cc1ccc(-n2nnnc2SCCOC(=O)Nc2ccccc2)cc1C 95468098 GQOAAHMUVRYTEL-UHFFFAOYSA-N 369.450 3.620 0 40 FHAB O=C(Nc1cccc(F)c1F)N1CCC[C@H]1c1nnc2n1CCCCC2 95958289 SSPXKCIOXWLKSF-AWEZNQCLSA-N 361.396 3.652 0 40 FHAB c1cnc(N2CC3(CCN(Cc4cccnc4)CC3)c3ccccc32)nc1 96078820 LUTWAZLQMVKZPM-UHFFFAOYSA-N 357.461 3.557 0 40 FHAB O=C(Cc1ccco1)N1CCOC[C@@H]1c1csc(-c2ccccc2)n1 96218824 TWICQHUBVZGPNQ-QGZVFWFLSA-N 354.431 3.546 0 40 FHAB Cc1ccc(CC(=O)N2CC[C@]3(C[C@H]3C(=O)Nc3cccc(F)c3)C2)cc1 96227242 WYUKYHVMRJADSN-UGKGYDQZSA-N 366.436 3.554 0 40 FHAB COc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(C)cc2)cc1OC 122304577 RHOYIAUTWSQWNU-INIZCTEOSA-N 357.450 3.529 0 40 FHAB COC(=O)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]23)cc1 170621204 XYEPZFXWJXPTAL-NJVJYBDUSA-N 373.499 3.875 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 219511282 XCAJZQLEOIMZCK-IAGOWNOFSA-N 357.450 3.663 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl 223058161 PXPZMXOGGHQENF-LJQANCHMSA-N 372.896 3.744 0 40 FHAB CCCSc1nnc(NS(=O)(=O)Cc2ccc(Cl)cc2)s1 223134496 NTLCXBGSQAEQBE-UHFFFAOYSA-N 363.917 3.636 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 223223234 HFDNIYHXHBPPAE-HXUWFJFHSA-N 370.468 3.620 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C 224393644 FOWMQOFVADBCEL-HXUWFJFHSA-N 370.468 3.620 0 40 FHAB CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2ccc(Cl)cc2)c1 224719156 FRYBISAUEZSTOZ-UHFFFAOYSA-N 367.854 3.732 0 40 FHAB COc1ccccc1CN(C)C(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 224821857 SRISOGDINXKLJN-INIZCTEOSA-N 353.462 4.000 0 40 FHAB COc1ccc(CNC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1OC 225160323 YOTSUHDGEKRDBI-HNNXBMFYSA-N 369.461 3.666 0 40 FHAB COc1ccc(NC(=S)NCCCN2CCCCCC2)cc1Cl 225399469 FZNZTOWUTPUAGJ-UHFFFAOYSA-N 355.935 3.901 0 40 FHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 225719063 HXIDATGRJDYCNQ-HXUWFJFHSA-N 370.468 3.700 0 40 FHAB COc1ccc(NC(=S)NCc2nc(-c3ccccc3)no2)cc1Cl 225813276 SKZVJHRDJTUZRH-UHFFFAOYSA-N 374.853 3.885 0 40 FHAB COc1ccc(-c2noc(CNC(=S)Nc3cccc(Cl)c3)n2)cc1 225823456 JGGOSTYMTSWBKS-UHFFFAOYSA-N 374.853 3.885 0 40 FHAB COc1cccc(CNC(=S)Nc2ccc(OC)c3ncccc23)c1 225835240 UJDKSAXMWRJPQP-UHFFFAOYSA-N 353.447 3.739 0 40 FHAB COc1ccc(NC(=O)C2(Sc3ccccc3)CC2)cc1C(=O)N(C)C 225960379 QCKYFBSXWXINPR-UHFFFAOYSA-N 370.474 3.660 0 40 FHAB CCN(C[C@@H]1COc2ccccc2O1)[C@H](C)C(=O)Nc1cc(C)ccc1C 240894755 IPNWDCNBYNXDIZ-QZTJIDSGSA-N 368.477 3.792 0 40 FHAB O=C(O)c1ccccc1-c1ccc(CN2CC[C@H](Cc3cnccn3)C2)cc1 257236231 HBHMOQFKVWVNAW-GOSISDBHSA-N 373.456 3.906 0 40 FHAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc4c(c3)OCO4)N21 260766163 JDRYWWUCMWBESS-BVGQSLNGSA-N 353.447 3.790 0 40 FHAB O=C(c1cncnc1C1CC1)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 577472052 HNUXELPZZPKCAX-UHFFFAOYSA-N 364.424 3.994 0 40 FHAB C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCS[C@H](c2ccccc2)C1 605154918 DKAPSXOLEXXMHW-JXFKEZNVSA-N 372.509 3.963 0 40 FHAB CC1(c2ccccc2)CCC(NC(=O)[C@@H]2CNC(=O)c3ccccc32)CC1 626189005 HQSIAJBDSCJFIY-WEQDKIBNSA-N 362.473 3.530 0 40 FHAB CCc1cc(Br)c(CN[C@@H]2C[C@@H]3C[C@H](C(=O)O)C[C@H]32)s1 1776958545 DDJPBJCTBVQIBG-FIQUKUQUSA-N 358.301 3.662 0 40 FHAB Brc1ccccc1CN1CC[C@H]2CN(c3ccccn3)C[C@H]21 1889125172 CHESJSDMWUDWQB-DOTOQJQBSA-N 358.283 3.555 0 40 FHAB Cc1cc(Nc2ncc(C)s2)nc([C@@H]2CCCCN2Cc2ncc[nH]2)n1 2037836167 RMGSRVKJQMBYBQ-AWEZNQCLSA-N 369.498 3.744 0 40 FHAB Cc1onc(-c2ccccc2Cl)c1C(=O)n1cc(Br)cn1 716499 XYQHAUCUCDGSJC-UHFFFAOYSA-N 366.602 3.951 0 40 FHAB O=C(COc1ccccc1)Nc1nnc(SCc2ccccc2)s1 937825 GYSALSVSNBTIST-UHFFFAOYSA-N 357.460 3.848 0 40 FHAB COc1cc(C(=O)N(C(C)C)C(C)C)c(Br)c(OC)c1OC 944166 MJLBLROMQYQJDQ-UHFFFAOYSA-N 374.275 3.734 0 40 FHAB Cc1ccc(NC(=O)C[C@H]2Nc3ccccc3NC2=O)c(Br)c1 949694 JRVMMLRLJDSVAI-OAHLLOKOSA-N 374.238 3.519 0 40 FHAB CCCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccco1 1364365 KEAPUMMMAWOBNM-UHFFFAOYSA-N 372.450 3.688 0 40 FHAB CCc1nc2sc3c(SCC(=O)OC)ncnc3c2c2c1CCCC2 2287704 KRNGQLQGXRMGPK-UHFFFAOYSA-N 373.503 3.946 0 40 FHAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cccs2)n1C 2388467 UNCVDYBRKNSTSJ-UHFFFAOYSA-N 374.491 3.591 0 40 FHAB CCc1c(C)sc2ncn3nc(COc4ccc(OC)cc4)nc3c12 2790181 GYUDPYLJVPMZRK-UHFFFAOYSA-N 354.435 3.797 0 40 FHAB COc1ccc(C(=O)NCCSc2ccc(Br)cc2)cc1 3050325 KQCLYPQPOSOCHH-UHFFFAOYSA-N 366.280 3.980 0 40 FHAB CCO/C=C1/C(=O)N(c2ccc(C)cc2C)C(=O)c2cc(OC)ccc21 3138782 POIKBBJDOIYCOJ-LDADJPATSA-N 351.402 3.876 0 40 FHAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC(Cc2ccccc2)CC1 3434597 WVFZAFPLXLNKJY-INIZCTEOSA-N 366.461 3.697 0 40 FHAB Cc1sc2nc(CSc3ncnc4sccc34)[nH]c(=O)c2c1C 3867709 QSQGQSOUAKVFOV-UHFFFAOYSA-N 360.489 3.898 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2nnc(-c3ccccc3)s2)cc1OC 4087760 RTLLQRFLMKLQOI-PKNBQFBNSA-N 367.430 3.874 0 40 FHAB CCCN1C(=O)[C@](O)(CC(=O)c2cccc(-n3cccc3)c2)c2ccccc21 4122645 ZIHRWFLDUDVAPZ-QHCPKHFHSA-N 374.440 3.695 0 40 FHAB CCN(CC)CCN1C(=O)c2ccccc2N(CC)C(=O)c2ccccc21 5471951 XJDADVWJNHCBND-UHFFFAOYSA-N 365.477 3.655 0 40 FHAB COc1cc(OC)cc(OCC(=O)NCc2ccc(Cl)cc2Cl)c1 5497304 VDXMUFOEFXZHPU-UHFFFAOYSA-N 370.232 3.706 0 40 FHAB Cc1nc(SCC(=O)N2CCCC[C@@H]2C)c2c3c(sc2n1)CCC3 5506184 ATFIUWFZRUWDLJ-NSHDSACASA-N 361.536 3.982 0 40 FHAB CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 6240612 WFULACOGWOVVTK-UHFFFAOYSA-N 359.426 3.691 0 40 FHAB COc1ccc(CNC(=O)CCCSc2nc3ccccc3[nH]2)cc1 6609767 OIWLFBNTEPGEFT-UHFFFAOYSA-N 355.463 3.760 0 40 FHAB COc1ccc(CCNC(=O)Cc2coc3c(C)c(C)ccc23)cc1OC 6809905 HKWYREBXZJYRHD-UHFFFAOYSA-N 367.445 3.968 0 40 FHAB Cc1cc(Cl)ccc1NC(=O)COc1cccc(N2CCCC2=O)c1 7064333 CHJCKBCAERASIW-UHFFFAOYSA-N 358.825 3.793 0 40 FHAB COc1ccc(OC)c(C(=O)COC(=O)c2cc(Cl)ccc2F)c1 7523190 FYEVKEYICWMGDG-UHFFFAOYSA-N 352.745 3.536 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)c2cc(=O)[nH]c3ccccc23)c1 7987865 RNOFQWWALLQQBJ-UHFFFAOYSA-N 352.390 3.578 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1 8040867 DGPFDWUZUPNWEN-INIZCTEOSA-N 354.450 3.849 0 40 FHAB O=C(NC[C@H]1CCCO1)c1cn(Cc2ccccc2)nc1-c1ccccc1 8192397 WJCNUHMTRGENGJ-LJQANCHMSA-N 361.445 3.507 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)N3CCc4ccccc4C3)CC2=O)cc1Cl 8218464 ULHVWNJMTBYRES-QGZVFWFLSA-N 368.864 3.586 0 40 FHAB Cc1ccc(SCC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 8349655 OLLOIRHXQSLCHN-INIZCTEOSA-N 366.490 3.887 0 40 FHAB O=C(CC1(C(=O)O)CCCCC1)Nc1ccccc1C(=O)N1CCCCC1 8745645 GVMWKHBBMIKDLA-UHFFFAOYSA-N 372.465 3.676 0 40 FHAB COc1ccc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)c(OC)c1 9954628 AJVBTNWDHJIMQP-UHFFFAOYSA-N 354.410 3.590 0 40 FHAB Cc1[nH]c2[nH]n(-c3nc4ccccc4s3)c(=O)c2c(=O)c1CCC(C)C 10152737 OAODXVSXMAJFPC-UHFFFAOYSA-N 368.462 3.514 0 40 FHAB COc1cc(Cl)c(NC(=O)c2cnc3c(cnn3C(C)C)c2)cc1OC 10592746 MNPOAPSWTQFYLL-UHFFFAOYSA-N 374.828 3.935 0 40 FHAB O=C(Cc1csc(COc2ccc(F)cc2)n1)N1CCc2ccccc21 11649655 FESBLUSLFQOLRN-UHFFFAOYSA-N 368.433 3.993 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2ncoc2-c2ccc(F)cc2)cc1C 12145520 JEZATDPOKOQKHU-UHFFFAOYSA-N 353.353 4.000 0 40 FHAB Oc1cc(-c2ccncc2)nc([C@@H]2CCCN(CCc3ccccc3)C2)n1 12256672 WYKHNBKYDAKDCP-LJQANCHMSA-N 360.461 3.666 0 40 FHAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(C(=O)N(C)C)cc1 13024046 UZIZJXHHUWSDLY-CYBMUJFWSA-N 360.841 3.756 0 40 FHAB Cc1ccc(CN(C)C(=O)c2nccnc2-c2nc3ccccc3s2)o1 14067771 JOCCYTKDWHGFMA-UHFFFAOYSA-N 364.430 3.927 0 40 FHAB CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)Sc2nc(C(C)C)n[nH]2)cc1 14093378 AQGVNYUJWOGSGN-LBPRGKRZSA-N 360.483 3.886 0 40 FHAB COC[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc2c(c1)C[C@H](C)O2 19234894 FIJRAQICIOKASI-MSOLQXFVSA-N 367.489 3.925 0 40 FHAB CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1cn(C)c3ccccc13)C2=O 19320178 DCHHWWCDLKPIGJ-UHFFFAOYSA-N 365.521 3.676 0 40 FHAB biogenic Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@H](COc3ccccc3F)C2)n1 19572785 YYLMWLAQXGJFCU-MSOLQXFVSA-N 373.472 3.908 0 40 FHAB CN(CCCNC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1 19691494 RTCIYMZMJASTRG-UHFFFAOYSA-N 362.380 3.640 0 40 FHAB CCN(C)[C@@H]1CN(C(=O)c2ccc(NC(C)=O)cc2)C2(CCCCC2)C1 19704928 XRINXNSRRUSNGA-IBGZPJMESA-N 357.498 3.514 0 40 FHAB O=C(NCc1ccccc1-n1ccnc1)c1ccc(Br)cc1 20486802 AMDKGIIUMBBVJE-UHFFFAOYSA-N 356.223 3.565 0 40 FHAB COc1ccccc1CNc1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1 22459398 ACFYTZSYPBKGPL-UHFFFAOYSA-N 352.419 3.600 0 40 FHAB CSc1ccc(NC(=O)[C@@H](NC(=O)NCc2ccccc2)C(C)C)cc1 25351754 HMRWDIGHONWEQU-SFHVURJKSA-N 371.506 3.871 0 40 FHAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccccc2C(=O)NC2CC2)c1 26989512 JMCMZZMVAZMFSB-UHFFFAOYSA-N 364.445 3.797 0 40 FHAB O[C@H](COc1ccc(Cl)cc1)CN(Cc1ccco1)Cc1ccco1 28580901 YVFLFUQPHJSYKC-INIZCTEOSA-N 361.825 3.968 0 40 FHAB COc1cc([C@H]2NC(=O)c3ccccc3N2)ccc1OCc1ccncc1 28922832 YNSPWJFWVIEEIU-HXUWFJFHSA-N 361.401 3.523 0 40 FHAB O[C@@H](CSc1ccccc1)CN1CCN(c2ccccc2Cl)CC1 31938427 FRMIMMWRTKNFTH-MRXNPFEDSA-N 362.926 3.615 0 40 FHAB COC(=O)c1ccc(NC(=O)Cc2csc(Cc3ccccc3)n2)cc1 32644869 VAFQEJIQCHQUGA-UHFFFAOYSA-N 366.442 3.702 0 40 FHAB C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)Nc1ccc2c(c1)OCO2 32754458 GFACORWCVPGRRL-ZDUSSCGKSA-N 352.390 3.793 0 40 FHAB CCCOc1ccc2ccccc2c1CN(C)C(=O)c1cnn(C)c1C 32879672 JOYWYYYJYDTSRW-UHFFFAOYSA-N 351.450 3.943 0 40 FHAB CC[C@H](C)c1ccc([C@H](CC)NC(=O)c2cc(C)nc3ncnn23)cc1 36619531 PUYCXWTWIUOYPK-GUYCJALGSA-N 351.454 3.827 0 40 FHAB Cc1nccn1Cc1ccc(C(=O)NCCSCc2ccccc2)cc1 38837119 JQPDLDNTOTWCIA-UHFFFAOYSA-N 365.502 3.903 0 40 FHAB COc1ccc(CNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 38848867 KASBDJSNBPCSCW-GOSISDBHSA-N 372.896 3.877 0 40 FHAB COc1ccc(N[C@H](C)C(=O)N(C)Cc2ccccc2)cc1OC(F)F 40049974 ULQSPORPPBPMKN-CYBMUJFWSA-N 364.392 3.756 0 40 FHAB Cc1cc(I)ccc1NC(=O)CSCC(C)C 40059288 WAIPIIOBZWUMTO-UHFFFAOYSA-N 363.264 3.927 0 40 FHAB CC(=O)NCCc1ccc(C(=O)CSc2ncccc2Cl)cc1F 40127855 OIXCYLLRWWVPPG-UHFFFAOYSA-N 366.845 3.528 0 40 FHAB CCSc1nnc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)s1 40128580 ONMIDSSPQIMGAK-UHFFFAOYSA-N 363.386 3.730 0 40 FHAB O=C(NC[C@H]1CCCc2ccccc21)c1nc(N2CCCC2)ncc1Cl 40141848 QZGAHQVEUQXTRG-OAHLLOKOSA-N 370.884 3.580 0 40 FHAB Cc1ccc(NC(=S)NC2CCN(Cc3ccccn3)CC2)c(C)c1 44222101 KNOJHLIPDDRPJR-UHFFFAOYSA-N 354.523 3.649 0 40 FHAB Cc1ccc(CN(C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)C2CC2)o1 46283508 DHQZJNQOXBHADP-IBGZPJMESA-N 368.433 3.510 0 40 FHAB c1csc(CSCCNCc2c[nH]nc2-c2ccc3c(c2)OCO3)c1 48355954 XTEUPASSRIBKKL-UHFFFAOYSA-N 373.503 3.890 0 40 FHAB COc1ccc(OC)c(CNCc2ccc(NC(=O)NC(C)C)cc2)c1 48784738 VNWSHPDUFISQFF-UHFFFAOYSA-N 357.454 3.524 0 40 FHAB CN(Cc1cnn(-c2ccccc2)c1)Cc1cc(F)cc2c1OCOC2 53419920 KPGPJURKVSIWRO-UHFFFAOYSA-N 353.397 3.510 0 40 FHAB Cc1nn(C)c2sc(C(=O)N[C@H](c3ccc(F)cc3)[C@H]3CCCO3)cc12 55945713 PZIAJEFAXKZBKK-NVXWUHKLSA-N 373.453 3.732 0 40 FHAB O=C1CCC(C(=O)N2CCC[C@H]2c2ccsc2)=NN1c1ccccc1 57997331 MYWILRLWIKOURD-KRWDZBQOSA-N 353.447 3.595 0 40 FHAB CCCCS[C@H](C)C(=O)N1CCC(C(=O)Nc2nc(C)cs2)CC1 58162507 GUSAMRMMYGPDEZ-CYBMUJFWSA-N 369.556 3.550 0 40 FHAB Cc1noc(C2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)n1 58209722 LIOMDKGLFSOUKS-UHFFFAOYSA-N 354.332 3.808 0 40 FHAB Cc1ccc2nc(CNC(=O)c3cc(C)n(Cc4ccco4)c3C)cn2c1 60403302 VNTOWKGXVQNQQE-UHFFFAOYSA-N 362.433 3.632 0 40 FHAB C[C@@](O)(CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC1 62021709 ZSKJBKQHTVXYED-CYBMUJFWSA-N 355.278 3.615 0 40 FHAB CCOc1cccc(CNC(=O)c2n[nH]nc2Nc2ccc(Cl)cc2)c1 67283627 BMGWCYICCRDDIT-UHFFFAOYSA-N 371.828 3.530 0 40 FHAB CSc1cccc(NC(=O)c2sccc2NC(=O)c2cnccn2)c1 67335957 VVTHSAUQVUXOTA-UHFFFAOYSA-N 370.459 3.765 0 40 FHAB COc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccc(C)cc3)n2)c1 72322123 UUJKKBIWTIZNOW-NRFANRHFSA-N 363.461 3.967 0 40 FHAB biogenic,in-vitro NC(=O)c1cccc(-c2cccc([C@H]3CCCN(Cc4cccnc4)C3)n2)c1 72348847 LWFYWIVXDXEFHS-FQEVSTJZSA-N 372.472 3.622 0 40 FHAB COc1ccc2c(ccn2CCC(=O)Nc2ccc3c(c2)OCCCO3)c1 72402018 ZSEHWLLGKBXUOK-UHFFFAOYSA-N 366.417 3.840 0 40 FHAB O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)Nc1nncs1 78552451 SXAGZWPKHYMRCP-UHFFFAOYSA-N 358.370 3.738 0 40 FHAB CN1CCC(Oc2ccc(NC(=O)CCCOc3ccccc3)cc2)CC1 78578793 DQOINWIIIFDAJB-UHFFFAOYSA-N 368.477 3.957 0 40 FHAB Cc1nc(CCN[C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)cs1 95466845 XHYFVWTWLJOQTR-CZUORRHYSA-N 353.532 3.762 0 40 FHAB Cc1cc(NC(=O)c2ccc3c(c2)OCO3)cnc1N1CCCC[C@@H]1C 95468405 GRCPEPIKRYOBLV-AWEZNQCLSA-N 353.422 3.750 0 40 FHAB Cc1cc(C)nc(NCc2cccc(C(=O)N[C@@H](C)c3ccncc3)c2)n1 95996822 KDHAKVXMSDTYOB-INIZCTEOSA-N 361.449 3.592 0 40 FHAB N=c1c2c(ncn1CCCO)Oc1c(ccc3ccccc13)[C@H]2c1ccco1 101351440 AATXDIQVGANLRM-SFHVURJKSA-N 373.412 3.777 0 40 FHAB O=C1C[C@@H](Nc2cccc(F)c2)C(=O)N1c1ccccc1C(F)(F)F 102401167 PRRBCYGKRJWPMQ-CYBMUJFWSA-N 352.287 3.589 0 40 FHAB C[C@H]1Cc2cc(Br)ccc2N1S(=O)(=O)c1ccc(F)cc1 222987869 STRVWVIIJDCQKP-JTQLQIEISA-N 370.243 3.728 0 40 FHAB COc1ccc(CCC(=O)NCc2ccccc2CN2CCCC2)cc1C 224802103 JOWNMJIOGCYXKV-UHFFFAOYSA-N 366.505 3.848 0 40 FHAB Cc1ccc(C(=O)N2CCCC(C)(C)C2)c(I)c1 225028940 SLEOLOPCNSCVCO-UHFFFAOYSA-N 357.235 3.862 0 40 FHAB Cc1cccc(O[C@@H]2CCN(C(=O)c3cccc(C(F)(F)F)c3)C2)n1 238824431 DKBOQAJRBQAKRB-OAHLLOKOSA-N 350.340 3.702 0 40 FHAB C[C@]12CCCN(C(=O)c3ccnc(Cc4ccccc4F)c3)[C@@H]1CCCN2 257239091 HNXUDDZVOJIYHJ-IRLDBZIGSA-N 367.468 3.558 0 40 FHAB Cc1cnc(C(=O)N2CCC[C@H](Cc3cnc4ccccc4c3)CC2)cn1 257341961 ZMOSPPWSRURFGK-KRWDZBQOSA-N 360.461 3.818 0 40 FHAB C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CC[C@@H](c5nccn5C)C4)cc3c2C1 328780926 MRSMQLAPZWGEIB-GDBMZVCRSA-N 362.477 3.656 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2ccccc2OCC)cc1Cl 408594830 PJOQONCCAPDQSO-UHFFFAOYSA-N 355.843 3.938 0 40 FHAB Cc1cc(C(=O)N2CCCC[C@@H]2c2ccc(C(C)C)cc2)ncc1C(N)=O 649267736 WPROGFZNMOKLMJ-HXUWFJFHSA-N 365.477 3.980 0 40 FHAB O=C1Nc2ccccc2[C@]12CCN(c1nc(C(F)F)nc3ccccc13)C2 681670962 ARDWWXOUOIXZHF-HXUWFJFHSA-N 366.371 3.668 0 40 FHAB Cc1nc(C(=O)N2CCC(c3ccc4cccnc4n3)CC2)c2ccccn12 848300541 ODHJNXVAKXXGSI-UHFFFAOYSA-N 371.444 3.606 0 40 FHAB CN(c1ncc(Cl)cn1)C1CCN(c2cc(C(F)(F)F)ccn2)CC1 1889098447 PMBMZJXRSAFGKH-UHFFFAOYSA-N 371.794 3.649 0 40 FHAB Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=S)NC1CC1 2733044 YNCFCBXAWWCVOV-UHFFFAOYSA-N 352.866 3.790 0 40 FHAB O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1cc2ccccc2oc1=O 2772323 TZIVSIXQHSQQNV-UHFFFAOYSA-N 355.218 3.741 0 40 FHAB CN(C(=O)c1ccc(S(C)(=O)=O)cc1Cl)c1ccc(Cl)cc1 1385581 ACIDFGZFJSPDKA-UHFFFAOYSA-N 358.246 3.674 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 12327160 GVXYZJRGROXQAZ-MSOLQXFVSA-N 365.477 3.673 0 40 FHAB Cc1cccc(C)c1OC1CCN(c2ccc(C(=O)NC3CC3)cn2)CC1 76839659 WIEPPRWMBLKYCE-UHFFFAOYSA-N 365.477 3.638 0 40 FHAB S=C(NC1CCCCC1)N1CCN(c2nc3ccccc3s2)CC1 1325579 WLEXEJCXLJKNNH-UHFFFAOYSA-N 360.552 3.626 0 40 FHAB O=C1[C@H](N2Cc3ccccc3-c3ccccc3C2)CCN1CC(F)(F)F 78640995 ADONLKWUAXYKNC-GOSISDBHSA-N 360.379 3.832 0 40 FHAB O=C(COc1ccccc1)NC(=S)Nc1cc(Cl)cc(Cl)c1 675627 AOLBFHBVWCQPBH-UHFFFAOYSA-N 355.246 3.885 0 40 FHAB CN(C)c1ccc2nc(CC(O)(C(F)(F)F)C(F)(F)F)ccc2c1 1614918 AWILFNKHRQWBNJ-UHFFFAOYSA-N 352.278 3.699 0 40 FHAB COC(=O)c1csc(NC(=O)c2cc(Br)ccc2F)c1 79107854 BNRJYRSDKROMIF-UHFFFAOYSA-N 358.188 3.689 0 40 FHAB COc1cc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc(OC)c1OC 3200487 JCARNGGLDOVSDY-SNVBAGLBSA-N 362.451 3.546 0 40 FHAB CCc1cccc(C)c1NC(=O)NC1CCN(Cc2ccncc2)CC1 47324452 OPDLWBFWKCPROZ-UHFFFAOYSA-N 352.482 3.739 0 40 FHAB O=C(NC(=S)Nc1ccc(F)cc1Br)c1ccccc1 23001820 IRUJSLQPMHRUJD-UHFFFAOYSA-N 353.216 3.715 0 40 FHAB Cc1nc(Nc2ccc(Cl)cc2)c2nnn(Cc3ccccc3)c2n1 4966685 ZQWFSYVCIKBQRZ-UHFFFAOYSA-N 350.813 3.975 0 40 FHAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)OCc1ccccc1 6169294 YTVVVTUOEPLJBO-UHFFFAOYSA-N 362.813 3.556 0 40 FHAB CCOC(=O)c1cccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1C 10112312 NRCOQPGKOLNEAI-UHFFFAOYSA-N 367.854 3.767 0 40 FHAB Cc1cc(O[C@@H](C)C(=O)NCCCN2CCC(C)CC2)cc(C)c1Cl 10541005 MSKWKPQDNSPDRA-KRWDZBQOSA-N 366.933 3.962 0 40 FHAB O=C1C[C@@]2(CC[C@H]3[C@@H](C(=O)NCc4cccc(F)c4)[C@@H]32)Oc2ccccc21 100124457 ALNBJXJLAPYGHK-AQZFEABFSA-N 365.404 3.502 0 40 FHAB CC(C)C(=O)Nc1ccc(N[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 12587183 KCVRQKALVGLNDX-LJQANCHMSA-N 351.450 3.713 0 40 FHAB Cc1nc(COc2cccc(C(=O)NOCc3ccccc3)c2)cs1 25038750 XNDJAJOOHQHWJY-UHFFFAOYSA-N 354.431 3.892 0 40 FHAB CCN(CC)CCn1c(=N)n(CCCOc2ccccc2)c2ccccc21 25180118 QOONIBLZJGNXTN-UHFFFAOYSA-N 366.509 3.733 0 40 FHAB COc1ccc(OC)c(NC(=O)C2CCN(Cc3ccccc3)CC2)c1 9062775 PQPZAACKNJAVOU-UHFFFAOYSA-N 354.450 3.555 0 40 FHAB CC[C@H](Nc1ccc2c(c1)CCN2C(C)=O)C(=O)Nc1ccc(F)cc1 12562181 FUWPTDCGJFMLST-SFHVURJKSA-N 355.413 3.564 0 40 FHAB Cc1ccsc1C(=O)OCC(=O)Nc1c(F)c(F)c(F)c(F)c1F 3233128 VIMSBLGDIUGGGH-UHFFFAOYSA-N 365.279 3.548 0 40 FHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2c(C)cccc2C)cc1OC 3225071 RIHXLNNPWGXOQD-PKNBQFBNSA-N 369.417 3.516 0 40 FHAB CCn1nccc1C(=O)Nc1ccc(Br)cc1C(F)(F)F 28225305 SDEQZMKQENMXMA-UHFFFAOYSA-N 362.149 3.937 0 40 FHAB CC[C@H](Oc1cccc(C)c1C)C(=O)N1CCN(c2ccc(F)cc2)CC1 20492644 XUAMODXULICBQL-FQEVSTJZSA-N 370.468 3.949 0 40 FHAB O=C(NCCc1ccc(-n2cccn2)cc1)c1ccccc1Br 10222038 FLRQXUVSWWDRQW-UHFFFAOYSA-N 370.250 3.607 0 40 FHAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)NCc1cc2ccccc2[nH]1 58357630 GWXSMMFYLJVVFX-AATRIKPKSA-N 354.793 3.880 0 40 FHAB COc1ccc2oc(C)c(C(=O)N3CCC(N4CCCCC4)CC3)c2c1 58357218 UIKOZAOVFKCNSF-UHFFFAOYSA-N 356.466 3.840 0 40 FHAB CCOc1ccc(NC(=O)CCNC(=O)c2cccc(C)c2)cc1OCC 12793608 WNDMAVJPTAIAGC-UHFFFAOYSA-N 370.449 3.551 0 40 FHAB COc1ccc(C(=O)N[C@H](C)c2cc3ccccc3o2)c(OC)c1OC 45574758 ZLGQFLCZXSPQQX-GFCCVEGCSA-N 355.390 3.950 0 40 FHAB CCc1ccc(-c2cc(C(F)(F)F)nc(N3CCN(CC)CC3)n2)cc1 36618556 LNLODHGMPRMFPL-UHFFFAOYSA-N 364.415 3.867 0 40 FHAB Cc1ncc(CN(C)[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)s1 48325227 YPGQYGPBJRDVOC-OAHLLOKOSA-N 372.538 3.901 0 40 FHAB CSc1ncccc1C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 2619370 WADSTTGPPGCATH-UHFFFAOYSA-N 361.898 3.728 0 40 FHAB CN(Cc1ccc(Cl)s1)C(=O)Cn1c(=O)oc2ccc(Cl)cc21 12951473 XIRVUSIMHHTCDP-UHFFFAOYSA-N 371.245 3.621 0 40 FHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCc1ccccc1C(F)(F)F 12954798 OLFACVBQTXFFLW-UHFFFAOYSA-N 372.364 3.774 0 40 FHAB COc1ccc2c(CN(C)CCOc3cc(C)cc(C)c3)cc(=O)oc2c1 12926766 CBTJSYQNERLIAZ-UHFFFAOYSA-N 367.445 3.929 0 40 FHAB Cc1ccc(NC(=O)NCC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 12925692 XTRFJRMGXVMTNF-CQSZACIVSA-N 351.406 3.740 0 40 FHAB COc1ccc(O)c(C(=O)NCc2ccc(-c3csc(C)n3)s2)c1 12905358 IFDJSNROHFMSMB-UHFFFAOYSA-N 360.460 3.824 0 40 FHAB O=S(=O)(Nc1cccc(Cl)c1)c1ccc(Br)s1 3907378 RRUPOXLYMRCWON-UHFFFAOYSA-N 352.662 3.965 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)C1CC1 6087901 ALHGYPLOJGXCLQ-UHFFFAOYSA-N 364.854 3.798 0 40 FHAB COc1cccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c1 6060585 GLRXHPBNTHNBCY-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1 13737816 KSBSLJKYJXTATP-WCAVRKLYSA-N 367.489 3.935 0 40 FHAB in-vitro CC(C)CN1CCC(NC(=O)[C@@H](Oc2ccc(F)cc2F)C(C)C)CC1 65493059 FCKZHGRTDKRQOU-IBGZPJMESA-N 368.468 3.605 0 40 FHAB Cc1ccc(Cn2cc(NC(=O)c3ccc(Br)o3)cn2)cc1 27920071 PSLABASXMKJWLK-UHFFFAOYSA-N 360.211 3.848 0 40 FHAB CCCN1C(=O)[C@@](O)(CC(=O)c2ccc(F)cc2)c2cc(Cl)ccc21 5323491 YSMZIBMPPRTWIZ-LJQANCHMSA-N 361.800 3.696 0 40 FHAB CCN(CC(=O)Nc1ccc(OC)cc1)Cc1coc(-c2ccccc2)n1 14188539 TYXLRQNIQMTQGV-UHFFFAOYSA-N 365.433 3.811 0 40 FHAB CNc1nnc(Sc2nc(-c3cccnc3)nc3ccccc23)s1 14164025 OFTUSRZXVUYZLE-UHFFFAOYSA-N 352.448 3.736 0 40 FHAB Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(Cl)c3)n2)cc1C 5401936 KAENHMBQAHBLJI-UHFFFAOYSA-N 367.836 3.819 0 40 FHAB c1ccc2oc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc2c1 6880914 XZPBJOOADYRAOY-UHFFFAOYSA-N 353.359 3.899 0 40 FHAB COc1cccc(C(=O)/N=c2\sc3c(n2C)-c2ccccc2CC3)c1 409207308 VERYAKGXXZDQCF-MRCUWXFGSA-N 350.443 3.602 0 40 FHAB CC(C)CNC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 7129930 OXXDESWQOPHKPX-LLVKDONJSA-N 365.524 3.787 0 40 FHAB Cc1cccc(NC(=O)CCN2CCN(C/C=C/c3ccccc3)CC2)c1 19853636 MXLYFJDJNVUSPV-UXBLZVDNSA-N 363.505 3.655 0 40 FHAB Cc1cc(C(=O)OCc2cc3c(cc2Br)OCCO3)c(C)o1 7745552 CFXSIUJVVKVBHB-UHFFFAOYSA-N 367.195 3.787 0 40 FHAB O=C(CSc1nc2ccccc2c(=O)n1C1CC1)c1ccccc1F 7859999 SGCYXEYBGUXHFI-UHFFFAOYSA-N 354.406 3.846 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)Sc2nc3sccc3c(=O)[nH]2)cc1F 8457216 NLEPCJRXZZDKIM-VIFPVBQESA-N 363.439 3.551 0 40 FHAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)OCCO2 9683370 XTNKTARHBLZIDI-UHFFFAOYSA-N 366.339 3.795 0 40 FHAB CC(C)c1sc(Cl)nc1C(=O)Nc1nnc([C@@H]2CCCO2)s1 95473238 DYDZBCUCQZGUEM-ZETCQYMHSA-N 358.876 3.875 0 40 FHAB Cc1cc(C)cc(C[C@H](C)NC(=O)c2cc(Br)ncc2F)c1 95465668 OEQUBOBZEZRTMF-LBPRGKRZSA-N 365.246 3.961 0 40 FHAB COc1ccc(OC)c(-c2csc(NC(=O)c3csnc3C)n2)c1 95458329 IXYPNPMCZPHLNN-UHFFFAOYSA-N 361.448 3.845 0 40 FHAB COC(=O)CCCN1CCC(N[C@H]2CCCC[C@@H]2Cc2ccccc2)CC1 95986441 NKLNROKCUHYQHU-IRLDBZIGSA-N 372.553 3.795 0 40 FHAB C[C@@H]1CN(c2ccc(C(=O)NCC3CCCCCCC3)cn2)C[C@@H](C)O1 95953777 KTYXNJGKNKFKMC-IAGOWNOFSA-N 359.514 3.786 0 40 FHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc3[nH]cnc3c2)c1 21204272 MOTLRRUFEXLGLI-GOSISDBHSA-N 351.406 3.557 0 40 FHAB COc1ccc(C(=O)Oc2ccc(-c3ccc(C)c(C)c3)nn2)cc1OC 408531561 UWSXUIFCCXEALV-UHFFFAOYSA-N 364.401 3.997 0 40 FHAB Fc1ccc(Cn2nc(Br)nc2Br)c(Cl)c1 67799191 MYYPBGZLZZRNQD-UHFFFAOYSA-N 369.419 3.644 0 40 FHAB O=C(CCC(=O)OCC(Cl)=C(Cl)Cl)Nc1cccc(F)c1 34132132 HATYUDAJTSQDDH-UHFFFAOYSA-N 354.592 3.973 0 40 FHAB CCc1ccccc1[C@@H](N)CNC(=O)N1[C@H]2CC[C@H]1CC1(C2)CC1(F)F 529338593 MAMVGQKLHFMOHT-ZOBUZTSGSA-N 363.452 3.611 0 40 FHAB O=C(c1cc[nH]n1)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 72349802 DPASOAAIERLNPS-UHFFFAOYSA-N 364.424 3.554 0 40 FHAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCCc1cccc(OC)c1 219557787 PBWPWDCMTUOHDZ-GOSISDBHSA-N 357.450 3.610 0 40 FHAB CCCn1ccc(C(=O)Nc2cnn(Cc3cccc4ccccc34)c2)n1 32610682 SAZYQGCEIWUMAN-UHFFFAOYSA-N 359.433 3.943 0 40 FHAB CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2F)n[nH]1 39964477 SIDNFHQKZBCTPK-LLVKDONJSA-N 374.445 3.508 0 40 FHAB O=C(c1ccncc1)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1 72358720 SDNDRAGQCIMBRR-INIZCTEOSA-N 362.408 3.698 0 40 FHAB c1cnc(-c2nc(S[C@H]3CCOC3)c3c4c(sc3n2)CCCC4)cn1 567992651 DXCQYHISURSCQN-NSHDSACASA-N 370.503 3.908 0 40 FHAB CC(C)c1nccn1-c1cncc([C@H]2CCCN2C(=O)C2CCCC2)n1 72378516 QNYJGBGIQVAGTR-QGZVFWFLSA-N 353.470 3.639 0 40 FHAB Cc1ccc(-c2nnc([C@@H]3CCCCN3C(=O)Cc3ccccc3)o2)cn1 72344714 BLOSYLIKNISWFB-SFHVURJKSA-N 362.433 3.736 0 40 FHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 222458724 HTOXDKLNQXLZKJ-OAQYLSRUSA-N 366.505 3.870 0 40 FHAB Cc1ccc(CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)c(C)c1 223351548 SHUBOGZDKJWJTJ-UHFFFAOYSA-N 373.456 3.810 0 40 FHAB CCOc1ccc(C(=O)NCCN(CC)c2ccccc2)cc1OCC 225066688 MUGPVGJKXOILFC-UHFFFAOYSA-N 356.466 3.740 0 40 FHAB CC(C)(C)c1ccccc1OCCNC(=O)/C=C/c1ccc2c(c1)OCO2 223665728 DYDJDHCMKBEROJ-PKNBQFBNSA-N 367.445 3.921 0 40 FHAB COc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(Cl)c2)cc1F 225114403 ZCZLQQMLTQGCSG-UHFFFAOYSA-N 364.225 3.966 0 40 FHAB CCOc1ccc(S(=O)(=O)N(C)c2ccc(OC)cc2)cc1Cl 223010610 OLFWNTRRCYYSHE-UHFFFAOYSA-N 355.843 3.572 0 40 FHAB COc1ccc(CNC(=O)CCCc2nc3cc(C)ccc3o2)cc1OC 224950149 CATYPFFDUAFJPT-UHFFFAOYSA-N 368.433 3.793 0 40 FHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCOc1cc(C)ccc1C 224011773 CCJMLCJSDPNRRL-LJQANCHMSA-N 357.450 3.665 0 40 FHAB O=C(O)C1(c2cncc(-c3cc(F)ccc3OCC(F)(F)F)c2)CC1 574219119 OCNBBCMRIHGJAY-UHFFFAOYSA-N 355.287 3.945 0 40 FHAB CCn1c(=O)sc2cc(NC(=O)[C@H](C)Oc3ccccc3C)ccc21 225107302 LEXHILPCMRLHEO-ZDUSSCGKSA-N 356.447 3.797 0 40 FHAB COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C/C=C/c1ccccc1)CC2 577183861 DVSLQTOTPIIDBC-MBNRZODZSA-N 367.445 3.791 0 40 FHAB Cc1cc(C)c([C@@H](C)NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1C 223436331 UWWMVMRPROURRI-MRXNPFEDSA-N 374.506 3.783 0 40 FHAB Cc1cccc(COC[C@@H]2CC3(CCN(Cc4ccco4)CC3)CO2)n1 96207296 XCCLDRNSRLHJJW-FQEVSTJZSA-N 356.466 3.571 0 40 FHAB Cc1cccc(COC[C@@H]2C[C@@H]3OCCN(Cc4cccs4)[C@@H]3C2)n1 247882715 RWFYWQODYLASQT-DBVUQKKJSA-N 358.507 3.648 0 40 FHAB C[C@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)N[C@H]1CCCC[C@H]1C 245227191 FGXOEPBVVWLKSN-DYEKYZERSA-N 369.494 3.682 0 40 FHAB O=C(c1cccnc1)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257262017 LJRGUAIVVHJNGK-QGZVFWFLSA-N 365.408 3.819 0 40 FHAB CN1CCCCC[C@@H]2N(C(=O)c3ccno3)[C@H](c3ccccc3)C[C@@]21C 257208460 BMFWANLWYSOJEZ-CUWPLCDZSA-N 353.466 3.895 0 40 FHAB CC(C)(C)N1CCC(NC(=O)c2ccnc(Oc3ccccc3)c2)CC1 623640911 YCEYJNCNKICAGY-UHFFFAOYSA-N 353.466 3.867 0 40 FHAB O=C1CN(Cc2cc(-c3ccc(Cl)cc3)no2)Cc2ccccc2N1 1646448004 DEFDAJVFNQUKHT-UHFFFAOYSA-N 353.809 3.949 0 40 FHAB O=S(=O)(CCc1ccc(F)cc1)N(Cc1ccccc1F)C1CC1 656865358 DQOINRARAGHDHF-UHFFFAOYSA-N 351.418 3.502 0 40 FHAB CN1CCN(S(=O)(=O)c2cccc3ccccc23)[C@H](c2ccccc2)C1 1250584769 MXFRVYRYOZHYJA-FQEVSTJZSA-N 366.486 3.517 0 40 FHAB CN(Cc1coc(-c2cccs2)n1)[C@H]1CCN(c2ccccc2)C1=O 109815487 LJULIMXUNYKQMP-INIZCTEOSA-N 353.447 3.640 0 40 FHAB O=C(NCCn1ccc(-c2ccncc2)n1)C1(c2cccs2)CCCC1 96026142 QFBXANWPMCLTGH-UHFFFAOYSA-N 366.490 3.635 0 40 FHAB CC1CC(N(C)C(=O)c2nc3c(o2)CCN([C@@H](C)c2ccccc2)C3)C1 585112443 PVOOVRFBZMUBHN-CKDBGZEDSA-N 353.466 3.664 0 40 FHAB O=C(c1ccc(CSc2nnc(N3CCCC3)s2)cc1)N1CCCC1 52911943 PZRHJOURGOTVDT-UHFFFAOYSA-N 374.535 3.667 0 40 FHAB Cc1ccc([C@@H](C)N(C)C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)s1 84205243 OXTZRMUHMBSROZ-GFCCVEGCSA-N 358.442 3.918 0 40 FHAB O=C(CSc1ccc(F)cc1)N1CCC(c2nnc(C3CC3)o2)CC1 38518783 YMZLOQDIWRUPLM-UHFFFAOYSA-N 361.442 3.584 0 40 FHAB O=C1C[C@@H]2CCN(C(=O)c3ccccc3)C[C@@H]2CCOc2ccccc2N1 1534646745 SGCFNACKVNXYRE-ROUUACIJSA-N 364.445 3.576 0 40 FHAB COc1ccc(NC(=O)/C=C/c2cc(Br)ccc2OC)cn1 8017073 FQSBISOOSPMHOK-XVNBXDOJSA-N 363.211 3.513 0 40 FHAB O=C(Nc1ccc(C(=O)O)c(O)c1)c1cccc(OCc2ccccc2)c1 20144960 GDCRGEVWRBZLTN-UHFFFAOYSA-N 363.369 3.922 0 40 FHAB c1cc(-c2ccc(-c3noc(CN4C[C@@H]5CCCC[C@H]5C4)n3)cc2)ncn1 12337231 NKSLZXCUSANDCP-ROUUACIJSA-N 361.449 3.816 0 40 FHAB COc1ccc(-c2noc([C@@H](C)NC(=O)c3ccccc3Cl)n2)cc1 13495097 ZWALWMMDZFNNCD-LLVKDONJSA-N 357.797 3.890 0 40 FHAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(OC)cc2)c(C)c1 13669034 XMHBKWVEDDQRGT-LJQANCHMSA-N 371.433 3.976 0 40 FHAB COc1ccccc1NC(=O)CNC(=O)c1sc2ccccc2c1Cl 14153132 QWPGUFDKORCQNF-UHFFFAOYSA-N 374.849 3.932 0 40 FHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc2c(c1)CCCC2 17342949 RTZCYIOKZRKXMT-UHFFFAOYSA-N 369.417 3.622 0 40 FHAB COc1cccc(CN(Cc2nc3ccccc3[nH]2)C[C@H]2CCCO2)c1 19564634 DRTOLZYXIFCTFP-GOSISDBHSA-N 351.450 3.753 0 40 FHAB O=C(CCn1ccc2ccc(Cl)cc21)NC[C@H]1CC[C@H](C(=O)O)CC1 101655931 QEGNUZISXNMLPH-OTVXOJSOSA-N 362.857 3.692 0 40 FHAB O=C(O)c1ccc(Cn2nc(C(F)F)c(Br)c2C(F)F)o1 2549580 PXTASGOSXCNATR-UHFFFAOYSA-N 371.084 3.860 0 40 FHAB in-vitro COc1ccc(CN2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)cc1 19589282 WLCZIUDDMNRUDH-YPAWHYETSA-N 354.469 3.897 0 40 FHAB Cc1cc(N)nc(SCCOc2ccc(Cl)cc2Br)n1 29914034 LJWGMFONQLLEBC-UHFFFAOYSA-N 374.691 3.954 0 40 FHAB O=C(CSC1CCCC1)NC[C@@](O)(c1ccsc1)c1cccs1 253409109 ZLWONZLMGPPXTH-QGZVFWFLSA-N 367.561 3.838 0 40 FHAB COc1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1OC 705077 FLCWWWLSTPETES-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cccc(Cl)c2)o1 917101 PEGRFPVGLHSPRX-LLVKDONJSA-N 351.859 3.883 0 40 FHAB COc1ccc(-c2cn3c(C)c(C(=O)NCc4ccco4)sc3n2)cc1 4930999 JAFRFSKILYXYKJ-UHFFFAOYSA-N 367.430 3.903 0 40 FHAB O=S(=O)(NC[C@@H](c1ccsc1)N1CCCC1)c1ccccc1Cl 8899593 FIGAMRCAPYIKSU-HNNXBMFYSA-N 370.927 3.517 0 40 FHAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cccc2ccccc12 22465797 ASMUQQLGNFBZJV-LJQANCHMSA-N 366.486 3.705 0 40 FHAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCC[C@H](Oc2ccncc2)C1 575611957 HKDTZSIWELSFIE-INIZCTEOSA-N 366.339 3.664 0 40 FHAB Cc1nn(CCNC(=O)c2noc3c2CCCC3)c(C)c1-c1ccsc1 575614712 CDVROGHFLLDMHD-UHFFFAOYSA-N 370.478 3.525 0 40 FHAB CCCc1ccc(C(=O)N2CC[C@@H](c3ccccc3)S(=O)(=O)CC2)cc1 585394723 CXEAQMNHJLZQGP-FQEVSTJZSA-N 371.502 3.641 0 40 FHAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CC3(CCCC3)c3ccccc32)c1 1621660993 LKVPXNZGWGUMLZ-UHFFFAOYSA-N 362.429 3.989 0 40 FHAB O=C(Nc1nc(-c2ccco2)cs1)c1cncc(Br)c1 40111379 LECOGIRFHOSVJJ-UHFFFAOYSA-N 350.197 3.813 0 40 FHAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(COc3ccccc3)cc2)C1 40160560 PSFKQSFWZNSWQO-LJQANCHMSA-N 367.445 3.681 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 32755482 XLKIHXGQUKURLH-SJLPKXTDSA-N 370.518 3.738 0 40 FHAB Cc1cccc(OCCNC(=O)Cc2csc(-c3ccc(C)o3)n2)c1 32816292 ZOEFMDIQBKUCCF-UHFFFAOYSA-N 356.447 3.758 0 40 FHAB Cc1cc(C)cc(NS(=O)(=O)c2c(C)cc(N3CCCC3=O)cc2C)c1 643462 RTGNHLMPKAHYLX-UHFFFAOYSA-N 372.490 3.848 0 40 FHAB COc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 646760 RWEHMMKDXPDEGU-UHFFFAOYSA-N 361.463 3.735 0 40 FHAB CC1=C(C(=O)OCCC(C)C)[C@@H](c2ccc(Cl)cc2)NC(=O)N1C 727711 XRAXAKYQMLCXRV-MRXNPFEDSA-N 350.846 3.899 0 40 FHAB CCOc1cccc(CNn2cnnc2)c1OCc1ccccc1Cl 806054 FWMMJDZZKAOQHV-UHFFFAOYSA-N 358.829 3.653 0 40 FHAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](C)c3ccccc3)ccc12 846908 OHUPHRRZJKTZSG-LSDHHAIUSA-N 351.402 3.746 0 40 FHAB O=C(CSc1nc(C2CCCCC2)nc2ccccc12)N1CCOCC1 1376449 RFOBUQNDXFFBOE-UHFFFAOYSA-N 371.506 3.628 0 40 FHAB COc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)c(C)c2)cc1 1980696 SYKOJYGKKPETJY-UHFFFAOYSA-N 358.463 3.622 0 40 FHAB CC(C)(C)[C@H]1CCc2c(sc3nc(SCC(=O)O)nc(N)c23)C1 2286673 PQDXZFSCGCGOFN-QMMMGPOBSA-N 351.497 3.601 0 40 FHAB O=C(N1CCN(c2ccc(F)cc2)CC1)C1(c2ccccc2)CCCC1 2512746 BVGPFYXKKVCYOH-UHFFFAOYSA-N 352.453 3.986 0 40 FHAB CCOc1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2)cc1OCC 3441834 OCGTZWHRAQVIKJ-UHFFFAOYSA-N 357.406 3.588 0 40 FHAB Nc1nc(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cs1 3885639 DGRGWSBGZDWGAX-UHFFFAOYSA-N 365.867 3.847 0 40 FHAB O=C(c1cccc(C(F)(F)F)c1)N1CCN=C1SCc1cccnc1 4061184 WKLPNKKPBQDMAK-UHFFFAOYSA-N 365.380 3.846 0 40 FHAB CC(=O)Nc1ccc(C(=O)CSc2nc(C)nc3ccccc23)cc1 4221452 WQGUWAQMQJQUBC-UHFFFAOYSA-N 351.431 3.872 0 40 FHAB O=C(COC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc[nH]1 4979032 GYUACJABEQVJRE-UHFFFAOYSA-N 353.349 3.773 0 40 FHAB COc1ccc(CC(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)cc1 5099244 RLNPMSDOIFREDE-UHFFFAOYSA-N 364.445 3.566 0 40 FHAB C=C1c2cc3c(cc2CCN1C(=O)/C=C/c1cccs1)OCCCO3 5426821 JNNRJKJLKSASFO-AATRIKPKSA-N 353.443 3.978 0 40 FHAB COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cc(C)ccc2C)cc1 6052710 YIWFHEPRXAPEMM-LJQANCHMSA-N 365.433 3.579 0 40 FHAB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1 6325080 ZDCXSSLACLPFHM-UDWIEESQSA-N 370.250 3.994 0 40 FHAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(F)cc1 6494973 FGZFBTJBPVBIIA-UHFFFAOYSA-N 356.378 3.973 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccc(C)cc3[nH]2)c1C 6505803 VBIKCVGSIDILBY-UHFFFAOYSA-N 371.462 3.968 0 40 FHAB CCCCCNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 6597285 JCOSEWMQZMMHFZ-UHFFFAOYSA-N 374.506 3.573 0 40 FHAB COc1ccccc1-c1nc(CN2CCN(c3ccccn3)CC2)cs1 7016501 LSHSAJATCKTJET-UHFFFAOYSA-N 366.490 3.536 0 40 FHAB COc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccc(N)cc1 7468330 LNWOZJQCKFBHTE-UHFFFAOYSA-N 361.401 3.782 0 40 FHAB C[C@@H](NC(=O)COc1ccc2c(c1)CCC2)c1ccc(-n2ccnc2)cc1 7738222 XJDNXVHSICLEIM-MRXNPFEDSA-N 361.445 3.617 0 40 FHAB Cc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1C 8017468 ATOBYJKKWHMJED-CQSZACIVSA-N 366.417 3.624 0 40 FHAB COCc1c(C(=O)N2CCN(c3ccccc3C)CC2)oc2ccccc12 8024320 GZAXWTSFAVCLTA-UHFFFAOYSA-N 364.445 3.850 0 40 FHAB COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccccc1F 8378469 NPOBFGKAOMRRJY-GOSISDBHSA-N 367.376 3.514 0 40 FHAB Cc1cc(C)cc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)c1 8715830 YDHURUUHLKXIAJ-UHFFFAOYSA-N 366.442 3.847 0 40 FHAB O=S(=O)(NC[C@@H](c1ccsc1)N1CCCC1)c1ccc(Cl)cc1 8899724 ZAQONDLFNOMFJN-INIZCTEOSA-N 370.927 3.517 0 40 FHAB O=C(Nc1ccccc1)Nc1nc(C(=O)NCCc2ccccc2)cs1 9317194 ZUXPTHKRHGJVTG-UHFFFAOYSA-N 366.446 3.760 0 40 FHAB O=C(CSc1nc2ccc(OC(F)F)cc2[nH]1)Nc1cccc(O)c1 9421494 NNSZMCAHDWIZIQ-UHFFFAOYSA-N 365.361 3.601 0 40 FHAB C[C@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1cc(Cl)cc(Cl)c1 9421531 UUAFXTSNRMJBAD-ZETCQYMHSA-N 368.249 3.779 0 40 FHAB CC1(C)CC(=O)c2ccc(OCC(=O)N3CCCc4ccccc43)cc2O1 9575267 QTTWMDCOQZDSKJ-UHFFFAOYSA-N 365.429 3.789 0 40 FHAB C[C@H](Sc1nncs1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 9577575 XTEJDCDVXDWMNR-QMMMGPOBSA-N 366.468 3.920 0 40 FHAB c1ccc(-n2nnnc2CN(Cc2cccs2)Cc2cccs2)cc1 9586264 ZYKJEYGXUVLOOB-UHFFFAOYSA-N 367.503 3.988 0 40 FHAB CCOc1cccc2cc(-c3csc(NC(=O)C4=COCCO4)n3)oc12 10750346 UDCMVXWJYUIMOF-UHFFFAOYSA-N 372.402 3.782 0 40 FHAB O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN1c1ncnc2ccccc12 11246811 NYQOAVZGFANIHP-QGZVFWFLSA-N 352.825 3.891 0 40 FHAB CC(C)(CN1CCCC1)CN1[C@H]2CC[C@@H]1CC(O)(c1ccccc1F)C2 12219977 LKHAVFFYQQRAJM-VSOVRNOCSA-N 360.517 3.762 0 40 FHAB Cc1cc(C)n(C[C@@H](C)C(=O)N[C@H](Cc2cccs2)c2nccs2)n1 12225906 LUSCBHWAQUFLMY-MLGOLLRUSA-N 374.535 3.754 0 40 FHAB O=C(OCc1cc(-c2cccs2)on1)C(=O)c1c[nH]c2ccccc12 12236743 AHASKJJMTCSTPU-UHFFFAOYSA-N 352.371 3.811 0 40 FHAB COc1ccccc1N1CCN([C@@H](C)c2nnc(-c3ccccc3)o2)CC1 12542380 SCMLQHBQRLAQKY-INIZCTEOSA-N 364.449 3.628 0 40 FHAB CC[C@H]1c2ccsc2CCN1Cc1cc(=O)n2cc(Cl)ccc2n1 12686427 RUACAQMLKDKDAT-HNNXBMFYSA-N 359.882 3.919 0 40 FHAB Cc1ccc(S(=O)(=O)Oc2cc3ccccc3cc2C(=O)O)c(C)c1 12728533 SGJGLGOMMMXLBV-UHFFFAOYSA-N 356.399 3.923 0 40 FHAB CN(Cc1ccc(Cl)cc1Cl)C(=O)CCNC(=O)c1ccccc1 12810353 DQGORDCRDAOICK-UHFFFAOYSA-N 365.260 3.772 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(Cc2ccccc2)C1 14426184 BUVCDSZKXYXAMM-ZDUSSCGKSA-N 363.244 3.981 0 40 FHAB COC(=O)c1ccc(OC(=O)Cc2ccc(Cl)cc2Cl)c(OC)c1 14727002 VJNMDCGAEMDRSQ-UHFFFAOYSA-N 369.200 3.937 0 40 FHAB CC(=O)Nc1cccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)c1 18943971 FLQWRJTUBNQFHU-UHFFFAOYSA-N 364.405 3.575 0 40 FHAB CCOc1ccccc1C(=O)N(CC)[C@@H]1CN(C(C)=O)C2(CCCCC2)C1 19704195 UHTJFKLXGUCMTB-SFHVURJKSA-N 372.509 3.871 0 40 FHAB Cc1cccc(-n2ncc3c2N=C(O)C[C@@]32C(=O)N(C)c3ccccc32)c1C 20739106 UELWAXKXQURPFE-QFIPXVFZSA-N 372.428 3.743 0 40 FHAB CCc1ccc([C@H](CNC(=O)[C@@H]2Cc3ccccc3S2)N(C)C)cc1 22684699 VKIVSIXNVWEPDR-ICSRJNTNSA-N 354.519 3.685 0 40 FHAB COc1ccccc1CCC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 25250126 YVGDFXWXPMTHQF-UHFFFAOYSA-N 361.445 3.820 0 40 FHAB Cc1nc(COc2ccc(C(=O)Nc3cnc4ccccc4c3)cc2)no1 25533987 MEHJJUNZONIVQB-UHFFFAOYSA-N 360.373 3.758 0 40 FHAB Cc1noc([C@@H](C)OC(=O)c2cc(-c3ccncc3)nc3ccccc23)n1 27059097 NVQCESNPKQPOHD-GFCCVEGCSA-N 360.373 3.906 0 40 FHAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1OC(F)F 28055057 YICREUVZFLYBJQ-SNVBAGLBSA-N 361.797 3.981 0 40 FHAB COc1cccc(C(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)c1OC 28220593 MSJSNYZMFDYMGJ-UHFFFAOYSA-N 371.824 3.854 0 40 FHAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1 29761957 WRCAQVACGPYSFR-CQSZACIVSA-N 358.413 3.618 0 40 FHAB Cc1[nH]c2ccc(C(=O)N3CCC[C@H]3c3nnc4ccccn34)cc2c1C 31505956 IBZNWKWEUNBGAK-SFHVURJKSA-N 359.433 3.805 0 40 FHAB Cc1cc2n(CC(=O)Nc3ccccc3C(C)C)c(=O)c3ccccc3n2n1 32909140 WHETVGVUEWDBOK-UHFFFAOYSA-N 374.444 3.720 0 40 FHAB COc1ccccc1OCCC(=O)OCc1cc(=O)oc2cc(C)ccc12 32910333 CAAHOJZWQDSKEC-UHFFFAOYSA-N 368.385 3.622 0 40 FHAB C[C@H](c1cccs1)N(C)C(=O)/C=C/c1cn(Cc2ccccc2)nn1 33235795 PUZQIRYFVYQIJE-AUECHBEKSA-N 352.463 3.621 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc(NC(=O)c2ccco2)cc1 39475800 RAADJTYVOGMPCQ-PBHICJAKSA-N 356.422 3.606 0 40 FHAB CCC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 39758119 ZWNOWTCLZVZULU-UHFFFAOYSA-N 352.419 3.806 0 40 FHAB c1ccc(COC2CCN(Cc3csc(-c4ncccn4)n3)CC2)cc1 40153379 ONTOGPRGMQJJAS-UHFFFAOYSA-N 366.490 3.781 0 40 FHAB O=C(Nc1ccc2cc[nH]c2c1)c1cc(=O)c(OCc2ccccc2)co1 40285128 GPCFVEUSCRWQEJ-UHFFFAOYSA-N 360.369 3.952 0 40 FHAB Cc1ccccc1NC(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1 44036022 QYQMQUUPVUOASD-UHFFFAOYSA-N 365.355 3.860 0 40 FHAB C[C@H]1CN(Cc2ccccc2NC(=O)N(C)Cc2ccco2)C[C@H](C)O1 47569485 CDTABBDMUZXIPL-HOTGVXAUSA-N 357.454 3.553 0 40 FHAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Cn1ccc(=O)c2ccccc21 48288105 WPUMAYROKHUZOQ-AWEZNQCLSA-N 354.837 3.875 0 40 FHAB C[C@H](SCc1ccccc1)C(=O)NC[C@H]1CCN(c2ccccc2)C1 48356114 FAFCEPZCTOPHSE-PKOBYXMFSA-N 354.519 3.951 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1ccc2sccc2c1 48729132 YDXRFWHRLQZEOA-GFCCVEGCSA-N 354.431 3.726 0 40 FHAB Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc2[nH]nnc2c1 53616557 CVHXWBDWYWTTSE-UHFFFAOYSA-N 371.400 3.771 0 40 FHAB O=C(Nc1ccc2c(c1)OCCCO2)C1(c2cccc(F)c2)CCOCC1 57185189 UQNMQAQFFNCCIH-UHFFFAOYSA-N 371.408 3.674 0 40 FHAB CN(Cc1cscn1)C(=O)CCc1ccc(Br)cc1F 58215428 QRGFJMQVGUKNLE-UHFFFAOYSA-N 357.248 3.636 0 40 FHAB O=C(NCc1cccs1)[C@H]1CCC[C@H](C(=O)NCc2cccs2)C1 58218065 XLBMSFCWRVBJMX-KBPBESRZSA-N 362.520 3.549 0 40 FHAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2cnc(C(C)(C)C)s2)cc1 58356646 GXHXVDQBYHLXCI-UHFFFAOYSA-N 368.462 3.657 0 40 FHAB CN1CCCc2cc(NC(=O)CCCc3nc(C(C)(C)C)no3)ccc21 64844609 PYOVJHONSJDHMB-UHFFFAOYSA-N 356.470 3.711 0 40 FHAB O=C(c1cn(-c2cccc(F)c2)nn1)N1CCC(Cc2ccccc2)CC1 65036621 SHLWUFPAMPNLGB-UHFFFAOYSA-N 364.424 3.501 0 40 FHAB CC(=O)Nc1cccc(NC(=O)c2sc(-c3ccncc3)nc2C)c1 71279524 GTMIEPOXZPCFOC-UHFFFAOYSA-N 352.419 3.724 0 40 FHAB C[C@@H]1CN(C(=O)Cc2cc(-c3ccccc3)on2)C[C@@H](c2ccccc2)O1 76017695 AFPJREXTOTWAJW-IERDGZPVSA-N 362.429 3.873 0 40 FHAB CCN(CC)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc(Cl)cc1 79112589 KEPDKKDOQUGCNF-QGZVFWFLSA-N 359.857 3.953 0 40 FHAB Cc1nc(C2CCCC2)sc1C(=O)N1CCN(c2nccs2)CC1 79396428 YNBWUZSSUVBAGQ-UHFFFAOYSA-N 362.524 3.528 0 40 FHAB NC(=O)N[C@H](CC(=O)N1CC2(CCCC2)c2ccccc21)c1cccs1 81811522 QWJNLQOLODDYJG-OAHLLOKOSA-N 369.490 3.706 0 40 FHAB O=C(N1CCO[C@@]2(CCc3ccccc32)C1)C1(c2cccc(F)c2)CCC1 89858058 ICWKKRNILHWSBN-QHCPKHFHSA-N 365.448 3.948 0 40 FHAB Cc1cccc(NC(=O)CN(C)Cc2cccc(OC(C)(C)C)n2)c1C 95454138 NICRBFBLTFGRPU-UHFFFAOYSA-N 355.482 3.946 0 40 FHAB O=C(Cc1ccc(Cl)cc1)N1CCC2(CN(Cc3ccccc3)C2)C1 96202436 HKRVEZNZLIMOAS-UHFFFAOYSA-N 354.881 3.617 0 40 FHAB c1ccc2nc(CN3CCC4(CC3)C[C@@H](OCC3CC3)CO4)ccc2c1 96205999 DESUUDVVJMVKCB-HXUWFJFHSA-N 352.478 3.785 0 40 FHAB CC(C)Nc1nc(N2CCCC2)nc2c1CN(Cc1cccc(F)c1)CC2 96254261 YVHSMPSEEJUMMW-UHFFFAOYSA-N 369.488 3.595 0 40 FHAB CCCn1c(=O)c(C(=O)Nc2ccc(F)c(F)c2)c(O)c2ccccc21 100562546 PGERMDLCCMODGO-UHFFFAOYSA-N 358.344 3.648 0 40 FHAB COc1ccc(OC)c([C@H]2C=C(c3ccc(C)c(C)c3)Nc3ncnn32)c1 101514287 BWXCHWJDIQCEMK-LJQANCHMSA-N 362.433 3.968 0 40 FHAB Cc1ccc(C(=O)N2CCC(NC(=O)[C@H](C)c3ccccc3F)CC2)cc1 108993815 RUQXGOYHXMLELK-MRXNPFEDSA-N 368.452 3.659 0 40 FHAB C[C@@H](O)C1CCN([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 111288132 AOKHSQNQUVKHPL-QRWLVFNGSA-N 356.441 3.598 0 40 FHAB CCOc1cc(C(N)=O)cc(Br)c1OCc1ccc(F)cc1 216835684 YWQMBZBDSNYIGQ-UHFFFAOYSA-N 368.202 3.665 0 40 FHAB COc1ccc(F)cc1S(=O)(=O)Nc1ccc(Br)c(C)c1 223689695 ONIJQAIHRVRPLK-UHFFFAOYSA-N 374.231 3.706 0 40 FHAB CCCCCNC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(C)c2)c1 224136792 FANGFWZYLAUXMR-UHFFFAOYSA-N 374.506 3.740 0 40 FHAB CCc1cccc(NC(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)c1 224144755 LWPFINTWOOAXEB-UHFFFAOYSA-N 368.485 3.739 0 40 FHAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OC)c(C(=O)OC)c1 225826390 RPOLFJIVFFLHJY-IBGZPJMESA-N 351.443 3.796 0 40 FHAB O=C(Nc1cccs1)N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 245171692 XQGZSLVILLREQR-NSHDSACASA-N 356.373 3.562 0 40 FHAB Cc1ccc(-c2cccc(N[C@H](c3scnc3C)[C@H](O)[C@H](C)O)c2)o1 257220639 DLODHBKQNAMSIM-DOPJRALCSA-N 358.463 3.915 0 40 FHAB COc1cccc([C@H]2Cn3ccnc3CN2C(=O)c2cc(C)cs2)c1 257250008 JKPXXYWIDXHSAT-MRXNPFEDSA-N 353.447 3.659 0 40 FHAB CCCn1cc(-c2cnc([C@H]3CCCN(C(=O)C(C)(C)C)C3)cn2)cn1 257335606 YLAVUCFQVKFZGI-HNNXBMFYSA-N 355.486 3.502 0 40 FHAB O=C(CC1CCOCC1)N1CCC[C@H](Cc2ccc3ncccc3c2)C1 257336471 YOPUHFRONHUMRW-LJQANCHMSA-N 352.478 3.833 0 40 FHAB CCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCC[C@H](C)C2)n1 260739985 RHPWRKWQMZUQHZ-AWEZNQCLSA-N 371.510 3.812 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cc3ccc(OC)cc3nc2C)c1 408713230 OSLDWRRGQKFGRJ-UHFFFAOYSA-N 352.390 3.821 0 40 FHAB COCCN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2)C1=O 409126655 MDAOETVOOPGDOE-QGOAFFKASA-N 369.442 3.948 0 40 FHAB COc1cc2c(cc1C[C@@H]1SC(=O)N(c3ccc(C)cc3)C1=O)OCO2 409161689 OZTNZMMTMLHFMT-KRWDZBQOSA-N 371.414 3.543 0 40 FHAB CCCN1C(=O)N/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C1=O 409244808 JBIDZDQEVDLXTB-LDADJPATSA-N 354.381 3.707 0 40 FHAB O=C(c1ccc2[nH]ccc2c1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 560760452 FHYQYGPUFNJPTO-HSZRJFAPSA-N 359.473 3.906 0 40 FHAB Cc1csc2ncnc(NC3CCN(C(=O)c4ccccc4F)CC3)c12 572848187 WALJDOZKMGWQBY-UHFFFAOYSA-N 370.453 3.856 0 40 FHAB Cc1onc(-c2cccs2)c1C(=O)Nc1cccc2c1OCCC2=O 1526687277 ZJOLELUQDVCZMC-UHFFFAOYSA-N 354.387 3.929 0 40 FHAB O=C(c1ccc(-c2ccccc2)s1)N1CCOC[C@H]1C[C@H]1CCCO1 1611547598 NSTPXJRSERFHTK-IAGOWNOFSA-N 357.475 3.825 0 40 FHAB CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2ccc(F)cc2)NC(=O)N1 641313 HTFXGEBVTCLSDA-GOSISDBHSA-N 353.397 3.709 0 40 FHAB Ic1ccc(OCc2cccc3nsnc23)cc1 645854 BUBNCESENMZFSW-UHFFFAOYSA-N 368.199 3.875 0 40 FHAB O=Cc1ccc(O[C@@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1 677550 HFAAQWLADOYYOF-CYBMUJFWSA-N 362.596 3.597 0 40 FHAB COc1ccc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)c(OC)c1OC 854775 HJXXTWMXJBKMBS-GXDHUFHOSA-N 373.792 3.710 0 40 FHAB Cn1c([C@](O)(c2ccccc2)[C@@H](O)c2cccs2)nc2ccccc21 860935 WUPIIIBPMPXSOP-ICSRJNTNSA-N 350.443 3.604 0 40 FHAB CC(C)OC(=O)CSc1nnc(-c2ccccc2Br)o1 925466 CFUNWCWTJCMIRQ-UHFFFAOYSA-N 357.229 3.543 0 40 FHAB COc1ccc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(C)cc2)cc1 937695 GURJCTDOMTUMMJ-AWEZNQCLSA-N 358.463 3.703 0 40 FHAB O=C(NC(=S)N1CCCc2ccccc21)c1ccc(Br)o1 937827 RHJOXSBBVYRKHQ-UHFFFAOYSA-N 365.252 3.510 0 40 FHAB COc1cccc(NC2=C(Cl)C(=O)N(c3cc(C)ccc3C)C2=O)c1 939908 MPWZYCJEVMUMJZ-UHFFFAOYSA-N 356.809 3.748 0 40 FHAB O=C(COc1cccc(Cl)c1)Oc1ccc2c3c(c(=O)oc2c1)CCC3 943434 YAMKJIYNNCLLFY-UHFFFAOYSA-N 370.788 3.920 0 40 FHAB O=S(=O)(CCc1nc2ccccc2o1)c1ccc(Br)cc1 990876 RRBNVPQWIFMCBX-UHFFFAOYSA-N 366.236 3.607 0 40 FHAB CCOC(=O)c1sc2ncn3c(CCc4ccccc4)nnc3c2c1C 1942512 FDPXHAUGXABGMB-UHFFFAOYSA-N 366.446 3.609 0 40 FHAB CCCOc1ccc(-c2nc(NCC(=O)OC)c3ccccc3n2)cc1 2269107 LNGLFJQWFHUFTB-UHFFFAOYSA-N 351.406 3.671 0 40 FHAB COCC(=O)NCCSc1c(-c2ccc(F)cc2)[nH]c2ccccc12 2721164 JBQJHTQRJLLNFQ-UHFFFAOYSA-N 358.438 3.829 0 40 FHAB CCn1cc(-c2nnc(-c3ccc(OC(F)F)c(OC)c3)o2)c(C)n1 2803096 VROARSSLGQGINZ-UHFFFAOYSA-N 350.325 3.538 0 40 FHAB O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)c1ccccc1 3112105 UCLOSSMUCSYBSX-NRFANRHFSA-N 359.425 3.771 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)CSc1ncnc2ccccc12 3246402 UWMHCWFKXRPXJR-UHFFFAOYSA-N 367.430 3.537 0 40 FHAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(F)cc2Cl)ccc1Cl 3261573 YMDUUKZZWTYKAP-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB CCC(CC)NC(=O)COC(=O)c1ccc(OCc2ccccc2)cc1 3281974 QRWFUZSRFANETN-UHFFFAOYSA-N 355.434 3.727 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)/N=c3/sc4ccccc4n3C)cc2)n1 3292586 GQEZGVHXEBOXPF-QZQOTICOSA-N 362.458 3.783 0 40 FHAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)c1c[nH]c2ccccc12 3346178 YVRBTYQQEJHXAP-UHFFFAOYSA-N 371.322 3.723 0 40 FHAB CN(C(=O)Cn1c(=O)oc2ccccc21)C(c1ccccc1)c1ccccc1 3352356 BJJPTHHFMMRODE-UHFFFAOYSA-N 372.424 3.843 0 40 FHAB CC(C)CNC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12 3366138 OPOLCZGRMFQMKN-UHFFFAOYSA-N 359.426 3.648 0 40 FHAB C[C@@H](OC(=O)c1ccc(Cl)cc1O)C(=O)NCCC1=CCCCC1 3408175 XMJXXJMKWLHVRX-GFCCVEGCSA-N 351.830 3.598 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1 4385216 BDOYUCSIHQBWCI-CQSZACIVSA-N 372.852 3.957 0 40 FHAB COc1ccccc1NC(=O)CSc1nnc(C)n1-c1ccc(C)cc1 4835967 LUQSIZDKMMTHRP-UHFFFAOYSA-N 368.462 3.624 0 40 FHAB Cc1nc(SCC(=O)Nc2ccc3c(c2)OCO3)[nH]c1-c1ccccc1 4945297 SENYPCIVKQSYGV-UHFFFAOYSA-N 367.430 3.845 0 40 FHAB O=c1c2cc(Cl)cc(Cl)c2ncn1CCOc1ccc(F)cc1 5317116 ONLNCYRDNGWLTD-UHFFFAOYSA-N 353.180 3.921 0 40 FHAB COc1ccc2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)[nH]c2c1 5321713 IBZRKMKDMSMLHQ-UHFFFAOYSA-N 363.461 3.756 0 40 FHAB COc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)c(OC)c1 5405017 BKGCQMFMJQCUFF-UHFFFAOYSA-N 363.797 3.771 0 40 FHAB CCOc1ccccc1/C=C/C(=O)OCC(=O)Nc1cc(C)cc(C)c1 6010521 YHRDBHYZOBXINX-MDZDMXLPSA-N 353.418 3.897 0 40 FHAB COc1cc(OC)cc(C(=O)NCCc2csc(-c3cccs3)n2)c1 6754767 NTCFXUHAMFNTRU-UHFFFAOYSA-N 374.487 3.861 0 40 FHAB COc1ccc(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)c(OC)c1 6987339 KTFTWYITKGQNDL-UHFFFAOYSA-N 374.780 3.764 0 40 FHAB Cc1cc(NC(=O)[C@H](C)Sc2nnc(C3CC3)n2-c2ccccc2)no1 7171816 QSMGWVCVJIMHGS-LBPRGKRZSA-N 369.450 3.560 0 40 FHAB O=C(Cn1nc(-c2cccs2)oc1=O)Nc1c(Cl)cccc1Cl 7250519 AISHZMRCZBNIII-UHFFFAOYSA-N 370.217 3.510 0 40 FHAB CC(C)c1cccc(C(C)C)c1NC(=O)CCCN1C(=O)CN(C)C1=O 7667084 UFQAJLBOXOIYBV-UHFFFAOYSA-N 359.470 3.546 0 40 FHAB C[C@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccccn1 8024688 FWPSPFKJRLIJOY-NSHDSACASA-N 373.865 3.557 0 40 FHAB CCOc1ccccc1-n1nnnc1SCc1cc(C)ccc1OC 8131978 WTVGRNBBBIUHSW-UHFFFAOYSA-N 356.451 3.670 0 40 FHAB CCCCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2C1=O 8195844 DNSABDBQGYTIMY-AWEZNQCLSA-N 350.418 3.574 0 40 FHAB CCOc1c(CNn2c(-c3ccccc3)n[nH]c2=S)cccc1OC 8253480 XQIUAXOSNMTPEJ-UHFFFAOYSA-N 356.451 3.759 0 40 FHAB CS(=O)(=O)N(CCCC(=O)Nc1ccccc1)c1ccc(Cl)cc1 8495237 PCXFOBACBOGMQB-UHFFFAOYSA-N 366.870 3.525 0 40 FHAB COc1ccc(-c2noc(COC(=O)Cc3ccc(Cl)cc3)n2)cc1 8500516 ZUUNFKIXFXRLKE-UHFFFAOYSA-N 358.781 3.685 0 40 FHAB COc1ccc(NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)c(OC)c1 8772264 DPAZRDBGILQXFX-UHFFFAOYSA-N 365.433 3.688 0 40 FHAB COC(=O)C[C@@H](NC(=O)CCc1nc2ccccc2s1)c1ccccc1 8881857 YWICQJBHGAJEPT-MRXNPFEDSA-N 368.458 3.650 0 40 FHAB Cc1cc(C)c2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)cc(C)c2c1 9633558 NXGPGRSYIIJBLQ-UHFFFAOYSA-N 355.463 3.859 0 40 FHAB O=C(NC[C@H]1Cc2cc(Cl)cc(-c3cnccn3)c2O1)C1=CCCCC1 12159093 FDGHQFUIGCZEIW-MRXNPFEDSA-N 369.852 3.717 0 40 FHAB Cc1cc(-c2snnc2C2CCN(C(=O)CC3CCCC3)CC2)on1 12224079 FUMCZEARPVDHBB-UHFFFAOYSA-N 360.483 3.788 0 40 FHAB Cn1c(CNC(=O)c2cccnc2Oc2ccccc2)nc2ccccc21 12550348 YYBRBXCFMRSOFB-UHFFFAOYSA-N 358.401 3.691 0 40 FHAB COc1cc2c(cc1NC(=O)[C@H]1CC(=O)N(C3CC3)C1)oc1ccccc12 12738634 JGBQLDYZYYMNRD-LBPRGKRZSA-N 364.401 3.544 0 40 FHAB CCCCCc1ccc(NC(=O)/C=C/c2ccc(S(N)(=O)=O)cc2)cc1 12791395 KJRJDESNRFLYHH-XNTDXEJSSA-N 372.490 3.719 0 40 FHAB COc1cc(NC(=O)COc2ccc(F)c3c2C(=O)C[C@H]3C)cc(OC)c1 12867022 YBKQJELNDNUFBW-LLVKDONJSA-N 373.380 3.550 0 40 FHAB COc1ccc(NC(=O)c2nnc(CN3CCCCCCC3)s2)cc1 12935653 BCVUOKZNHVBSKS-UHFFFAOYSA-N 360.483 3.565 0 40 FHAB C[C@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCCO2 12973567 CJQRTJNPHDSJKP-LBPRGKRZSA-N 365.351 3.897 0 40 FHAB CN(C)[C@H](CNc1cnn(-c2ccccc2)c(=O)c1Cl)c1cccs1 13096424 YUSVSQKKWDYTJS-OAHLLOKOSA-N 374.897 3.662 0 40 FHAB Fc1cccc([C@@H]2C[C@H](c3cccc(Br)c3)Nc3nnnn32)c1 13123569 IHHHDYSSLPNVGO-CABCVRRESA-N 374.217 3.721 0 40 FHAB O=C(CC1CCCC1)N1CCC[C@@H](c2nc(O)cc(-c3ccncc3)n2)C1 13268237 PIISKEIHLFUFQR-QGZVFWFLSA-N 366.465 3.531 0 40 FHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)NC(C)C 14009242 CODNLWTYKLIBFA-SFHVURJKSA-N 354.450 3.929 0 40 FHAB C[C@@H]1C(=O)N(Cc2ncc(-c3ccccc3)o2)C(=O)N1c1ccc(F)cc1 14197378 AXLPUMOEOHQSDG-CYBMUJFWSA-N 365.364 3.838 0 40 FHAB O=C(C[C@@H]1C=CCC1)Nn1cnc2scc(-c3ccccc3)c2c1=O 14226715 VGDBTATYNUJEJV-CYBMUJFWSA-N 351.431 3.551 0 40 FHAB COc1cc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)ccc1OC(C)C 15954475 BMSQLJBLCBYBST-VACYZGCOSA-N 373.493 3.649 0 40 FHAB biogenic CCOC(=O)C1CCN(C(=S)Nc2ccc(C(F)(F)F)cc2)CC1 17074208 MYZURHONMSQQCE-UHFFFAOYSA-N 360.401 3.677 0 40 FHAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)CC(=O)N2 17170450 MMNBYIRYXVBFCQ-UHFFFAOYSA-N 351.189 3.506 0 40 FHAB Cc1[nH]c2ccc(C(=O)OCC(=O)N(C)Cc3ccccc3F)cc2c1C 19054394 IMGIRLRLGOBRRV-UHFFFAOYSA-N 368.408 3.739 0 40 FHAB Cc1nccc(-c2cccc(-c3noc(CN4C[C@H](C)C[C@@H](C)C4)n3)c2)n1 19287579 NWFZKQYGFRSRAS-HUUCEWRRSA-N 363.465 3.980 0 40 FHAB CC[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1)c1ccccc1 20048130 WWURRHCITGBZLJ-SFHVURJKSA-N 372.490 3.551 0 40 FHAB O=C(NCCCN1CCCC1=O)c1ccccc1SCc1cccs1 22626279 HVGNAZRWDXASPW-UHFFFAOYSA-N 374.531 3.783 0 40 FHAB Cc1nc(/C=C/C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cs1 25250208 PIEMFFFTBGGZMU-SNAWJCMRSA-N 350.447 3.657 0 40 FHAB Cc1cc(C)n(-c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)n1 29403588 PABRNTCBLZROLS-OUKQBFOZSA-N 353.447 3.902 0 40 FHAB CC(C)Oc1cccc(CNC(=O)c2ccc(CN3CCCC3=O)cc2)c1 30755461 KPDQZSMQXHXFIO-UHFFFAOYSA-N 366.461 3.526 0 40 FHAB CNC(=O)Nc1ccc(NC(=O)c2cc3ccc(OC)cc3nc2C)cc1 32903317 YLGGARGBCVCQIO-UHFFFAOYSA-N 364.405 3.555 0 40 FHAB CC[C@H](NC(=O)CCNC(=O)c1ccco1)C12CC3CC(CC(C3)C1)C2 36063204 WVONLWRCAMBZCT-CARYKQCGSA-N 358.482 3.511 0 40 FHAB Cc1nc2cc(NC(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)ccc2o1 36395436 AUQFDWFLDOKHAF-CZUORRHYSA-N 363.417 3.684 0 40 FHAB COc1ccc(CCNC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)cc1 40160439 ZSDACYZSFOYFRD-AWEZNQCLSA-N 369.490 3.725 0 40 FHAB O=C(NC1CCCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NC1CCCCC1 40556267 HAJHIIIELACUOR-SNRMKQJTSA-N 361.530 3.721 0 40 FHAB O=C(COc1ccccc1Cl)NCC1(c2ccccc2)CCOCC1 42645626 GYNMRLWCLFPIHU-UHFFFAOYSA-N 359.853 3.583 0 40 FHAB COc1cccc(CCCNC(=O)c2ccc(Cn3ccnc3C)cc2)c1 44906932 NALIZIPXGPAUDN-UHFFFAOYSA-N 363.461 3.611 0 40 FHAB CCCCN(C)S(=O)(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 46798387 HXTNPFUGSUPOKN-OAHLLOKOSA-N 367.540 3.800 0 40 FHAB O=C(Nc1ccncc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 58203189 XKGDJXNADLPKHO-AWEZNQCLSA-N 367.384 3.682 0 40 FHAB CC(=O)Nc1ccc(OC(=O)/C=C/c2c(Cl)nc3ccccn23)cc1 58393325 OQDHCTWHVXFEOO-MDZDMXLPSA-N 355.781 3.565 0 40 FHAB CCOc1cccc(CN2Cc3cc(Cl)cc(OC)c3OCC2=O)c1 65184550 PCSJPMBSCUMLDF-UHFFFAOYSA-N 361.825 3.669 0 40 FHAB Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCc1cccnc1 65306243 WGYOOFHMVDEVHF-UHFFFAOYSA-N 359.842 3.569 0 40 FHAB COc1ccc(C2=NN(C(=O)C(C)C)[C@@H](c3cccc4nccnc34)C2)cc1 72314636 DKZLDWHPKOXAMH-HXUWFJFHSA-N 374.444 3.972 0 40 FHAB Cc1cc(Oc2ccccc2)nc([C@H]2CCCN2C(=O)c2coc(C)n2)n1 72384500 ROUFUGQIJOULDI-QGZVFWFLSA-N 364.405 3.851 0 40 FHAB Cc1cc(C(=O)NCCc2nc3c(c(C(F)(F)F)n2)CCCC3)c(C)o1 75170765 VAXLHCRCIPVRHC-UHFFFAOYSA-N 367.371 3.557 0 40 FHAB Cc1cc(C(=O)N2CCCCC[C@H]2c2ccco2)ccc1N1CCNC1=O 76652026 WKIURNRBJBDUED-SFHVURJKSA-N 367.449 3.875 0 40 FHAB CN1C(=O)CC[C@@H](C(=O)Nc2ncc(C(C)(C)C)s2)[C@@H]1c1ccccc1 81234308 RVCBAGJSPGPHDY-PBHICJAKSA-N 371.506 3.989 0 40 FHAB CC[C@H](c1ccccc1)N(CC(C)C)C(=O)NCc1nnc2n1CCC2 84734656 HRENKCOTFWZGSY-QGZVFWFLSA-N 355.486 3.543 0 40 FHAB CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cnc(Cl)c(C)c1 85311405 FMCQZKMOTAALJK-UHFFFAOYSA-N 356.813 3.880 0 40 FHAB CCOC(=O)c1[nH]c(C)c(C(=O)Nc2cnc3cc(OC)ccc3c2)c1C 95479721 PDLLFMBAQYHUMI-UHFFFAOYSA-N 367.405 3.617 0 40 FHAB CC(C)(C)OC(=O)N[C@H](CC(=O)OCCc1ccc(F)cc1)C1CC1 95942876 HFDQCURAHPUULV-MRXNPFEDSA-N 351.418 3.605 0 40 FHAB Cc1nc2ccc(C(=O)Oc3ccc(N4CCCC4=O)cc3)cc2nc1C 95958441 KFWQJOXTPRQZHZ-UHFFFAOYSA-N 361.401 3.593 0 40 FHAB CSc1cc(C(=O)NC[C@](C)(O)c2ccco2)c(Cl)cc1Cl 95966153 GINPZQQBHRQDDK-HNNXBMFYSA-N 360.262 3.946 0 40 FHAB CN(C)CCN1CCC2(CC1)C[C@H](NCc1cccs1)c1ccccc12 96241440 OKZOBKJZKFTJEG-NRFANRHFSA-N 369.578 3.878 0 40 FHAB O=C(NCCCn1ccc2cccnc21)c1ccc(OC(F)(F)F)cc1 96353477 NSRWQJAADHCROH-UHFFFAOYSA-N 363.339 3.755 0 40 FHAB CN(C[C@@H]1CCCC[C@H]1O)C(=O)c1cn(-c2ccccc2)nc1C(C)(C)C 97233345 NOABGILNOSGZAO-QFBILLFUSA-N 369.509 3.793 0 40 FHAB O=C(NCC1(c2cccc(Cl)c2)CCCC1)[C@H]1CCCN1C(=O)C1CC1 98106269 PLWYDAATQOKCFY-GOSISDBHSA-N 374.912 3.669 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)Nc2cc3c4c(c2)[C@H](C)C(=O)N4CCC3)c1 101078712 UMPMWFFKONOJLJ-AWEZNQCLSA-N 370.474 3.501 0 40 FHAB O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 101841184 KBWMQXGCBQDIOE-UHFFFAOYSA-N 365.408 3.798 0 40 FHAB O=C(Nc1ccc2c(c1)CCC2)C12C[C@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 102834089 OYVWLCHIXOFZFH-KILAXVPQSA-N 362.477 3.701 0 40 FHAB C[C@H]1C[C@@H](C)CN(CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 104617221 SFDKTGSMFOUREQ-HZSPNIEDSA-N 353.304 3.604 0 40 FHAB S=C(NCc1cc(Cl)c2c(c1)OCCCO2)N[C@@H]1C[C@H]2CC[C@H]1C2 106744110 BYSBMHLXUIVZPF-CORIIIEPSA-N 366.914 3.654 0 40 FHAB Cc1noc([C@H]2CCCN(C(=O)NCCc3csc4ccccc34)C2)n1 194667952 GUFJIXBTHUUPGR-AWEZNQCLSA-N 370.478 3.724 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)CCSCc2ccccc2)cc1 218995056 CRCULFPIGQQACO-INIZCTEOSA-N 359.491 3.902 0 40 FHAB CN(c1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1)S(C)(=O)=O 222414229 WCSGLLFBAYMTDV-UHFFFAOYSA-N 373.261 3.642 0 40 FHAB COC(=O)c1ccccc1NC(=O)c1cnc(-c2ccc(F)cc2)nc1C 222583714 ADXTYTJWXJUPMP-UHFFFAOYSA-N 365.364 3.630 0 40 FHAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NC)c1ccccc1 223411881 QHGXUGVGJLJEGH-LJQANCHMSA-N 358.869 3.956 0 40 FHAB CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CC 223475153 LEYDYRZRXVIGHM-FQEVSTJZSA-N 356.441 3.832 0 40 FHAB Cc1ccc(NC(=S)N2CCN(C3Cc4ccccc4C3)CC2)c(C)c1 225209868 QWZFDUMUOXGBHV-UHFFFAOYSA-N 365.546 3.785 0 40 FHAB COc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cn1 225676665 KUUJUECJSYIHOB-OAHLLOKOSA-N 357.479 3.987 0 40 FHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 225715828 HVRJKNJANLYFSO-OAQYLSRUSA-N 366.505 3.870 0 40 FHAB C[C@H](C(=O)NCCCc1ccc(F)cc1)N1C(=O)CCCc2ccccc21 227169294 CVQMVGUZSTWQCF-MRXNPFEDSA-N 368.452 3.633 0 40 FHAB COc1ccc(CN(C)C[C@@H](O)CO[C@H]2CCCc3ccccc32)cc1 245228138 GMYMEZZHOLIHEL-KNQAVFIVSA-N 355.478 3.582 0 40 FHAB O=C(O)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252515891 OIQJDMWYERKYRS-RRFJBIMHSA-N 371.241 3.634 0 40 FHAB CO[C@H](CNC(=O)c1ccc(Br)o1)c1cc2ccccc2o1 253472463 MNVIUKIOKNTLQU-CQSZACIVSA-N 364.195 3.906 0 40 FHAB Cc1cc(C(=O)N2CC3(C[C@@H](Oc4cccnc4)CS3)C2)sc1C 253599273 NEMBQKQMTAVYKE-OAHLLOKOSA-N 360.504 3.539 0 40 FHAB Cc1cc(-c2nccn2C)nc([C@H]2CCCN2Cc2ccc(F)cc2)n1 257299778 RROBLIFBQRVERG-GOSISDBHSA-N 351.429 3.662 0 40 FHAB Cc1ccc(-c2cn3c4c(n(C)c3n2)CCN(Cc2ccccn2)C4)cc1 306138260 RTPZRAYTXUYCAE-UHFFFAOYSA-N 357.461 3.602 0 40 FHAB Cc1nc(C)n([C@H](C)CC(=O)N[C@@H]2[C@@H]3CCC[C@@H]3[C@@H]2c2ccccc2)n1 409412871 WQWTYTKZVQFANT-PZPOORTFSA-N 352.482 3.545 0 40 FHAB OC[C@]1(c2ccccc2)CCCN(c2ccnc(Cc3ccccc3)n2)C1 509511159 ZZOAHWKZWBGZMT-QHCPKHFHSA-N 359.473 3.598 0 40 FHAB O=C(c1cnc(-c2ccccc2)[nH]1)N1CCN[C@@H](c2cccc(Cl)c2)C1 513991141 CVHDDEAYYLJLKS-GOSISDBHSA-N 366.852 3.517 0 40 FHAB Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ocnc1-c1ccccc1 515172705 AFOMNSUVIMUPLV-ALOPSCKCSA-N 362.433 3.626 0 40 FHAB O=C(Nc1ccccc1C(=O)O)c1ccc(COCC(F)(F)F)cc1 521394001 UPQMLJBAUZXBTG-UHFFFAOYSA-N 353.296 3.716 0 40 FHAB O=C(O)[C@@H](c1ccsc1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 566361094 FGETYGGWZGOQJL-HUUCEWRRSA-N 369.389 3.549 0 40 FHAB Cc1cc(OCCN(C)C)ccc1NC(=O)c1coc(C2CCCC2)n1 585080650 NJZFGHVQJHJQKS-UHFFFAOYSA-N 357.454 3.833 0 40 FHAB CCS(=O)(=O)c1ccc(CN[C@@H](Cc2ccccc2C)C2CC2)cc1 585081484 XELVDLQEVMFSTG-NRFANRHFSA-N 357.519 3.900 0 40 FHAB O=C(NC1CC2(CCN(C(=O)c3ccsc3)CC2)C1)c1ccsc1 585103654 FGFFOFZIANPVJH-UHFFFAOYSA-N 360.504 3.624 0 40 FHAB CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1cccs1)C2 585107164 QIPYVURKFUGGEH-FQEVSTJZSA-N 364.474 3.515 0 40 FHAB O=C(NCc1cn2ccsc2n1)Nc1ccc(Cl)c2ncccc12 642483780 SWAJUGPWVAFAFS-UHFFFAOYSA-N 357.826 3.919 0 40 FHAB Cc1nc2cc(NC(=O)N[C@H](C[C@H]3CCCO3)C(F)(F)F)ccc2o1 654020171 RXEPKNKZMRZZTJ-BXUZGUMPSA-N 357.332 3.758 0 40 FHAB c1ccc(CN2C[C@H](c3nc(-c4ccsc4)no3)[C@]3(CCOC3)C2)cc1 685942156 FGQCMTOVLJGTGR-YLJYHZDGSA-N 367.474 3.804 0 40 FHAB Cc1c(C(=O)NCCCc2cccc(Br)c2)ccc2cncn12 1323654385 BPBMYXRJKFFELM-UHFFFAOYSA-N 372.266 3.768 0 40 FHAB COc1cccc(CN2CCC(Oc3nccc(C(F)(F)F)n3)CC2)c1 1775976312 YKBSBLLJCQZKSW-UHFFFAOYSA-N 367.371 3.547 0 40 FHAB CSc1ccccc1C(=O)NCCc1ccc(-c2cnn(C)c2)s1 1889201664 UTPAZAQWRQNHMR-UHFFFAOYSA-N 357.504 3.843 0 40 FHAB O=C(c1cccnc1)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 633533 YRGMGCILUHJAQA-UHFFFAOYSA-N 362.410 3.504 0 40 FHAB COc1cc(C(=O)Nc2ccc(Br)cc2)cc(OC)c1OC 682293 IONWMMRVQGKQRL-UHFFFAOYSA-N 366.211 3.727 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)o2)cc1 857419 RLMXZAVQOFBCHJ-UHFFFAOYSA-N 355.419 3.784 0 40 FHAB CN(CCOc1ncc(C(F)(F)F)cc1Cl)C(=O)Cc1ccccc1 1389429 LSGZLTJWSNWYNK-UHFFFAOYSA-N 372.774 3.834 0 40 FHAB CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2cccc(Br)c2)C1 2801791 MKGJJHCGSSYNHZ-UONOGXRCSA-N 352.228 3.835 0 40 FHAB O=C(O)c1ccc(N2C(=O)c3cccc4c(Cl)ccc(c34)C2=O)cc1 3244658 BRBGHBUCRDEPJC-UHFFFAOYSA-N 351.745 3.992 0 40 FHAB O=C(COC(=O)/C=C/c1ccccc1)Nc1ncc(Cl)cc1Cl 3270297 HDWRQADVGGNULG-VOTSOKGWSA-N 351.189 3.584 0 40 FHAB O=C(COC(=O)c1ccc(Cl)cc1)Nc1ccc(OC(F)F)cc1 3272456 IRBVXHKXFMVLBK-UHFFFAOYSA-N 355.724 3.737 0 40 FHAB Cc1nn(Cc2c(Cl)cccc2Cl)c(SCC(=O)O)c1C=O 3319077 VVOOIDAUVKRQRP-UHFFFAOYSA-N 359.234 3.536 0 40 FHAB Cc1nc(NC(=O)CSc2nncn2C(C)C)c(Cl)cc1Cl 3353510 YCNRHRYAPXQLPX-UHFFFAOYSA-N 360.270 3.600 0 40 FHAB C[C@H](OC(=O)c1ccc(CO)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 3418637 LWNXEEPZVGCNCA-JTQLQIEISA-N 368.216 3.670 0 40 FHAB CCCCOC(=O)c1ccc(NC(=O)C(=O)c2c[nH]c3ccccc23)cc1 4163231 FVTXDZYTVWMFMO-UHFFFAOYSA-N 364.401 3.946 0 40 FHAB CC[C@H](O)CNc1nc(-n2nc(C)cc2C)nc2sc3c(c12)CCCC3 4295297 PZXPANFBNIFWHE-ZDUSSCGKSA-N 371.510 3.555 0 40 FHAB Cc1c(/C=C/c2cc[n+](C)cc2)c2ccccc2n1CC(=O)N1CCCC1 4932939 FBYATUCAOBYVEQ-UHFFFAOYSA-N 360.481 3.567 0 40 FHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc2c(s1)CCCCC2 5178265 ZPNYLOHDQYVGMY-UHFFFAOYSA-N 367.474 3.526 0 40 FHAB CCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@H](c1ccccc1)N2 5324806 UYLVIXKZZGJABA-IAGOWNOFSA-N 365.412 3.912 0 40 FHAB Cc1nc(SCC(=O)N2CCCC[C@H]2C)c2c3c(sc2n1)CCC3 5506186 ATFIUWFZRUWDLJ-LLVKDONJSA-N 361.536 3.982 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCC(C)C)ccc2C)c(C)c1 6023983 LXIYUNBUYQAMQR-UHFFFAOYSA-N 374.506 3.798 0 40 FHAB CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)N[C@H](C)c1ccccc1 6649748 ZNQROTHUPNXRPE-APWZRJJASA-N 370.518 3.724 0 40 FHAB O=C(NCCc1ccccc1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O 6780001 RVGPIXVUPDSZFC-JOCHJYFZSA-N 370.452 3.743 0 40 FHAB CCC[C@H](C)NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 6946990 QSWSACXYIVPOQG-INIZCTEOSA-N 374.506 3.571 0 40 FHAB CC[C@@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 7072875 MJXQZWTUVHMHNI-GFCCVEGCSA-N 372.490 3.867 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)Cc1c(F)cccc1Cl 7107912 DIYCRPYZHMSAGV-OZVIIMIRSA-N 355.837 3.648 0 40 FHAB CN(Cc1ccc2c(c1)OCO2)C(=O)Cc1cccc(C(F)(F)F)c1 7272983 CKMWUOSKDHMROL-UHFFFAOYSA-N 351.324 3.635 0 40 FHAB Cc1cc(C)n2c(SCc3nc(-c4ccc(Cl)cc4)no3)nnc2n1 7426049 VOKJGDMRNKVPOC-UHFFFAOYSA-N 372.841 3.737 0 40 FHAB CC1CCC(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)CC1 7698889 SQUICWHZPHIFGR-UHFFFAOYSA-N 351.446 3.991 0 40 FHAB O=C(Cn1ccccc1=O)Nc1ccc(-c2nc3ccccc3s2)cc1 7781452 BTSSNTNOYAXSAK-UHFFFAOYSA-N 361.426 3.764 0 40 FHAB c1ccc(-n2nnnc2N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 7979812 PCPBASKFYVRZGI-AWEZNQCLSA-N 362.462 3.656 0 40 FHAB CN(Cc1nc2ccccc2s1)C(=O)c1cc2ccccc2oc1=O 8244242 SNPNEQRRBCEHED-UHFFFAOYSA-N 350.399 3.675 0 40 FHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2c(C)cccc2C)cc1 8413357 WFVFYEACFQVHLQ-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB CCOC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(C)c(C)c2)c1 8546055 LCALMRLCGALBJH-UHFFFAOYSA-N 355.390 3.912 0 40 FHAB Cc1cc(=O)n2c(n1)NC(Nc1ccccc1Cl)=N[C@H]2c1ccccc1 9184261 URLAILNCOCJRPM-QGZVFWFLSA-N 365.824 3.646 0 40 FHAB CC1(C)Cc2cccc(OCC(=O)Nc3ccc4c(c3)OCCCO4)c2O1 9503667 XELMGEGPPPDSAP-UHFFFAOYSA-N 369.417 3.579 0 40 FHAB CCC[C@H](OC(=O)c1cc(C)nc2ccccc12)C(=O)Nc1cc(C)on1 9954642 AGIIJXIPDNTTFP-KRWDZBQOSA-N 367.405 3.804 0 40 FHAB CCOc1ccc(-c2nnc(COC(=O)c3cc4ccccc4[nH]3)o2)cc1 10030767 IQPDTSZGKUCEQH-UHFFFAOYSA-N 363.373 3.974 0 40 FHAB COc1cc(N[C@@H](C)C(=O)Nc2cccc(C)c2)ccc1N1CCCC1=O 10184886 QYUPDEAALDSROW-HNNXBMFYSA-N 367.449 3.570 0 40 FHAB CC1CCN(C(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)CC1 10478236 UUDIHERQTCKAKK-UHFFFAOYSA-N 370.478 3.579 0 40 FHAB C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1ncccn1 11364537 GZWMREFRTQCVOP-SSDOTTSWSA-N 362.764 3.663 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 12137078 WLHKVUQCIYWTSW-OAHLLOKOSA-N 354.450 3.929 0 40 FHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)C3CC3)cc2N1 12181303 ZSOFVKKYHMBART-KWCYVHTRSA-N 356.392 3.654 0 40 FHAB Cc1nn(CC(=O)N[C@H]2[C@H]3CCCC[C@H]3[C@@H]2c2ccccc2)c(C)c1C 12366612 HTUHXQDHAIQYAK-WAGURGNTSA-N 351.494 3.897 0 40 FHAB CCC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc2nccnc2c1 12409688 HTMGBBZZFVTYCW-HXUWFJFHSA-N 360.417 3.726 0 40 FHAB COc1cc([C@@H]2CC(=O)Nc3nc(N)sc32)ccc1OC1CCCC1 12419200 XXOGKUGYDSDIFL-LBPRGKRZSA-N 359.451 3.529 0 40 FHAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(OC)nc2)cc1OC 12595871 MYYGOFLMGVLKSJ-UHFFFAOYSA-N 350.802 3.793 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 12736290 MSLQNMPRHXTNKO-HNNXBMFYSA-N 366.200 3.722 0 40 FHAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(C)c(F)c3)CC2=O)cc1 12802350 RBLBELWKUBOCEN-CQSZACIVSA-N 356.397 3.524 0 40 FHAB COc1c(Br)cc(F)cc1NS(=O)(=O)c1ccc(C)cc1 12897403 XBYBBTOHECGCDZ-UHFFFAOYSA-N 374.231 3.706 0 40 FHAB Cc1ccc(C)c(OCC(=O)NC[C@H](c2ccco2)N2CCCCC2)c1 13005943 LJWVBOZBMVEILK-GOSISDBHSA-N 356.466 3.619 0 40 FHAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc2cc(F)ccc2[nH]1 13007243 WJSQCXGIPUJUBB-HXUWFJFHSA-N 351.425 3.874 0 40 FHAB CCOc1ccc(Nc2nc(CSc3ccccn3)cc(=O)[nH]2)cc1 13637045 YRDSVFFBDMHWIH-UHFFFAOYSA-N 354.435 3.600 0 40 FHAB CCCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccc(OC)cc1 13758479 VTHOEIIBCLBRGR-UHFFFAOYSA-N 350.418 3.870 0 40 FHAB CCc1nnc(NC(=O)c2csc(COc3ccc(C)cc3)n2)s1 14159313 ZMXIAKJIXFWITN-UHFFFAOYSA-N 360.464 3.697 0 40 FHAB Cc1cc(OCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)ccc1Cl 14226540 XZCJNERXXCWLFE-CYBMUJFWSA-N 361.825 3.676 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCc2ccc(Cl)cc2)C1 14239520 JPQGBOIDTMDQBG-AWEZNQCLSA-N 352.862 3.603 0 40 FHAB CCOc1ccc(NC(=O)c2ccc(OCC(F)(F)F)nc2)cc1OC 14347753 STVLYSUTASPSFX-UHFFFAOYSA-N 370.327 3.682 0 40 FHAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccccc1N1CCCCC1 15309173 ALTNEIDEWUMWJZ-UHFFFAOYSA-N 352.434 3.629 0 40 FHAB Cc1cc(-n2c(S)nc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1O 17074010 ZECXFGZSUGLQOJ-SECBINFHSA-N 358.488 3.875 0 40 FHAB O=C1CC[C@]2(C(=O)Nc3ccc4c(c3)CCC4)Sc3ccccc3N12 17578361 UXKVRYZVZBQQPU-HXUWFJFHSA-N 350.443 3.743 0 40 FHAB Cc1ccc([C@H](C)C(=O)Nc2nc3c(s2)CCc2c-3cnn2C)cc1 19136394 XUJSHXNDGXVYQS-LBPRGKRZSA-N 352.463 3.693 0 40 FHAB CCn1c(C)c(C2N3CC4(CC)CN2CC(CC)(C3)C4=O)c2ccccc21 19322828 KRYFHYSXWHRZKT-UHFFFAOYSA-N 365.521 3.975 0 40 FHAB biogenic CCOCc1cc(CN2CCCCC[C@@H]3[C@@H]2CCN3C(C)=O)ccc1OC 19712325 SIBXNRUOBVIYGU-LEWJYISDSA-N 374.525 3.597 0 40 FHAB COC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccc(OC)cc2)c1C 19931843 BPPRDWNZHDFYKW-ZDUSSCGKSA-N 359.447 3.910 0 40 FHAB COc1cccc(N2C(=O)[C@@H]3CS[C@@H](c4ccc(C)cc4)N3C2=S)c1 20607391 NJXPKUGEQJIGBL-WMZOPIPTSA-N 370.499 3.751 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)NC[C@H](c2ccco2)N2CCCCC2)cc1 22024970 QSXPFVVNUOPVTA-IEBWSBKVSA-N 355.482 3.732 0 40 FHAB CSc1ccc([C@H](C)NC(=O)c2cn(C)c3ccccc3c2=O)cc1 22234321 ZLEPLPNJNQVUPN-ZDUSSCGKSA-N 352.459 3.751 0 40 FHAB CN(CCCCN1C(=O)c2ccccc2C1=O)Cc1c(F)cccc1Cl 22474474 GLCWXKMPHJRSFX-UHFFFAOYSA-N 374.843 3.987 0 40 FHAB CC(=O)c1cccc(OC[C@H](O)CN(C)[C@@H](C)c2ccc(F)c(F)c2)c1 23674138 VZAHBJUSERMORJ-SUMWQHHRSA-N 363.404 3.600 0 40 FHAB CC(C)c1ccc(Nc2nnc(SCCN3CCOCC3)s2)cc1 24333899 ICZZZMJUCZRWRB-UHFFFAOYSA-N 364.540 3.829 0 40 FHAB CCS(=O)(=O)c1ccc(NC(=O)Cc2c(C)[nH]c3ccc(F)cc23)cc1 24858044 CCFQSTFGDVVHEO-UHFFFAOYSA-N 374.437 3.590 0 40 FHAB COc1cccc([C@@H]2CCCN2C(=O)c2cnc3c(cnn3C(C)C)c2)c1 25068356 PGMJVFZEQLNDDV-IBGZPJMESA-N 364.449 3.998 0 40 FHAB Cc1cc(CN(C)C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)no1 25138087 JINYNABIKRNEKF-UHFFFAOYSA-N 361.348 3.507 0 40 FHAB Cc1ccc([C@H](NC(=O)CCNC(=O)Nc2ccccc2)C2CC2)cc1 25160915 BUFMQWQZCUWJSX-FQEVSTJZSA-N 351.450 3.774 0 40 FHAB O=C(Cc1csc(-n2cccc2)n1)N1CCC(Cc2ccccc2)CC1 30819504 YTPLISOJQJZTTN-UHFFFAOYSA-N 365.502 3.958 0 40 FHAB O[C@H](CSc1ccccc1)CN1CCN(c2cccc(Cl)c2)CC1 31666885 VVGRGELMCDPQSV-SFHVURJKSA-N 362.926 3.615 0 40 FHAB O=C(Nc1cccc(F)c1)[C@@H]1CC(O)=Nc2cc(-c3ccc(F)cc3)nn21 32100437 HFINUEWHLKKNIL-INIZCTEOSA-N 368.343 4.000 0 40 FHAB Cc1cc(C(=O)NCCn2c(C)nc3ccccc32)c2ccc(F)cc2n1 32236820 ZRAUYHCETLNOJL-UHFFFAOYSA-N 362.408 3.770 0 40 FHAB CCc1ccc(OCC(=O)Nc2noc(-c3cccc(Cl)c3)n2)cc1 32622727 XUGZUHMSDWGKAZ-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB C[C@H](c1cc2ccccc2o1)N(C)CC(=O)NCCc1ccc(F)cc1 32754465 VVJFEZXPHUFRGP-OAHLLOKOSA-N 354.425 3.924 0 40 FHAB Cn1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1=O 32764388 YGRQBNKPRKUZSV-UHFFFAOYSA-N 365.458 3.640 0 40 FHAB Cc1ccc(C)c(CS(=O)(=O)CC(=O)Nc2cccc(C(C)C)c2)c1 32929620 WPCIUGJSZINDAY-UHFFFAOYSA-N 359.491 3.980 0 40 FHAB c1ccc(-c2nnn(Cc3c(-c4ccccc4)nc4ccccn34)n2)cc1 35684805 JWHUTOPYZCEYJI-UHFFFAOYSA-N 352.401 3.703 0 40 FHAB CCN(C(=O)CN(C)[C@H](C)c1ccc(-n2cncn2)cc1)C1=CCCCC1 36391985 NJYPRHAULWFPNE-QGZVFWFLSA-N 367.497 3.567 0 40 FHAB COCc1c(C(=O)Nc2cccc(Cl)c2)nnn1-c1ccc(C)cc1 36636043 MWMLIKVRPUSZPG-UHFFFAOYSA-N 356.813 3.628 0 40 FHAB O=C(NCc1cccnc1Oc1cccc(F)c1)c1cnc2ccccc2n1 40094227 OJUMILQDNYGNFC-UHFFFAOYSA-N 374.375 3.886 0 40 FHAB O=C(NCc1ccnc(OCc2ccccc2)c1)c1cc(F)ccc1F 40106789 URHPAJVGTUKHNA-UHFFFAOYSA-N 354.356 3.869 0 40 FHAB CC(C)n1nc(C(=O)N2CCCCc3ccccc32)c2ccccc2c1=O 40133981 KMGWUQZZURUZPW-UHFFFAOYSA-N 361.445 3.961 0 40 FHAB CN(CC(=O)N(C)Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1 42364732 LTLYBKLGLLIRJO-UHFFFAOYSA-N 350.384 3.796 0 40 FHAB Cc1ccc(C)c(NC(=O)COc2cc(C)nc(N3CCC[C@H](C)C3)n2)c1 44168711 BDWLXEKLEQVOPR-HNNXBMFYSA-N 368.481 3.656 0 40 FHAB O=C(/C=C/c1cnn(-c2ccccc2)n1)OCc1coc(-c2ccccc2)n1 46462347 XWSHTSLHKMVGJY-VAWYXSNFSA-N 372.384 3.679 0 40 FHAB Cc1nc(-c2ccccn2)sc1C(=O)NC[C@H](O)c1cccc(Cl)c1 48342270 CJERVYBUDCAPPI-HNNXBMFYSA-N 373.865 3.630 0 40 FHAB Cc1c(C(=O)N[C@H](C)c2ccc(F)cc2)nnn1-c1ccc(Cl)cc1 51318137 QQXYOXMBGGESNH-LLVKDONJSA-N 358.804 3.859 0 40 FHAB CS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1 51354254 JHLXOHNWVCDBAI-UHFFFAOYSA-N 358.341 3.753 0 40 FHAB C[C@@]1(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)CC1(Cl)Cl 55553324 JMYUIZTVTBRUDI-INIZCTEOSA-N 350.249 3.763 0 40 FHAB Cc1ncsc1C(=O)N1CCCN([C@H](C)c2ccc(F)cc2F)CC1 58167768 JLDXMCBRXKLPRK-CYBMUJFWSA-N 365.449 3.639 0 40 FHAB COc1ccc(N(C)C(=O)c2cnn(-c3ccc(C)cc3)c2C(C)C)cn1 58270191 PVQXACNNRQMDNC-UHFFFAOYSA-N 364.449 3.984 0 40 FHAB CC[C@H](C)NC(=O)N1CCC[C@H](CN(C(=O)OC(C)(C)C)C(C)C)C1 58291555 JIGZEZPIGNIREQ-HOTGVXAUSA-N 355.523 3.852 0 40 FHAB Cc1cc2nc(NC[C@@H](CO)Cc3ccc(F)cc3)c3ccccc3n2n1 58381272 LFPUOHMXTASOBC-INIZCTEOSA-N 364.424 3.593 0 40 FHAB O=C([C@@H]1CCOC1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 58412765 IXXMVFLMEXHSHS-GFCCVEGCSA-N 350.871 3.692 0 40 FHAB Cc1ccc(-c2nnc([C@@H]3CCCN3C(=O)c3scnc3C)o2)s1 60016715 HTRRKSXCMRCXOW-NSHDSACASA-N 360.464 3.849 0 40 FHAB O=C(c1ccccc1Br)N1CC[C@H](c2ccc3c(c2)OCO3)C1 62189385 BXUHYNOFGHPVGA-ZDUSSCGKSA-N 374.234 3.808 0 40 FHAB CCOc1ccc(OCC(=O)NC[C@H](Nc2ccccc2)C(C)C)cc1 65575620 MEIABPXJQZPOQL-FQEVSTJZSA-N 356.466 3.717 0 40 FHAB Cc1ccccc1[C@H](CC(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C)NC(N)=O 70037339 YJWIHDZMPZNNFT-SZMVWBNQSA-N 356.466 3.630 0 40 FHAB COc1ccc(Cl)cc1NC(=O)NCC1CCN(c2ccncc2)CC1 70928943 RVTJCVDRKMSYOH-UHFFFAOYSA-N 374.872 3.782 0 40 FHAB CSc1nc(Cl)cc(NC[C@H]2CCCN2C(=O)OC(C)(C)C)n1 72203091 ZHLFISQLYRRURH-SNVBAGLBSA-N 358.895 3.663 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1cc(F)ccc1Cl 72330139 DKKPAQNSWVTWIQ-ZDUSSCGKSA-N 363.816 3.773 0 40 FHAB Cc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4ccncc4)C3)n2)c1 72362129 VTGALIPQGMVPEL-GOSISDBHSA-N 374.444 3.992 0 40 FHAB CCCOc1ccccc1NC(=O)N1CCN(c2ccccc2F)CC1 76034769 OTEUCEWMHBFMAU-UHFFFAOYSA-N 357.429 3.969 0 40 FHAB CCOc1cc2c(cc1/C=C/C(=O)Nc1cccnc1N(C)C)O[C@H](C)C2 84805187 VOMRHCNHWCZKIT-MYSGNRETSA-N 367.449 3.522 0 40 FHAB Cc1nc(C)c(S(=O)(=O)Nc2cc(-c3ccc(Cl)s3)[nH]n2)s1 89559297 YUSQIOHRYHQXLO-UHFFFAOYSA-N 374.900 3.666 0 40 FHAB O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1c[nH]nc1C1CC1 95945668 CZSOMIHEUJLXHB-SFHVURJKSA-N 352.825 3.855 0 40 FHAB Cc1cn2cc(C(=O)OCc3nnc(-c4ccc(Cl)cc4)o3)sc2n1 95982206 CJKIXWOUNYBOGL-UHFFFAOYSA-N 374.809 3.765 0 40 FHAB O=C(/C=C/c1ccco1)NCCn1nc(-c2cccs2)cc1C1CC1 96121591 JNZQUOQRTVOGCT-BQYQJAHWSA-N 353.447 3.912 0 40 FHAB COc1ccc(CNC(=O)Nc2ccc(N3CCC[C@H](OC)C3)cc2)cc1 96122506 YBNODNATMXOQCA-FQEVSTJZSA-N 369.465 3.632 0 40 FHAB COC(=O)[C@H](C)NC(=O)C12C[C@H]3C[C@H](C1)CC(c1ccc(C)cc1)(C3)C2 100497257 LLGCIOWMDCLFGV-PCIKLCOZSA-N 355.478 3.511 0 40 FHAB CCCn1c(=O)c(C(=O)Nc2ccc(OCC)cc2)c(O)c2ccccc21 100502031 BQPPZZICVBMXIL-UHFFFAOYSA-N 366.417 3.768 0 40 FHAB CCn1/c(=N/C(=O)c2ccc(OC)cc2OC)sc2cccc(F)c21 100909238 AVSHUADBJUMUAT-ZZEZOPTASA-N 360.410 3.620 0 40 FHAB CCCC[C@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2ON1c1ccccc1 102735554 TYGWXDDSOQBXNU-XUVXKRRUSA-N 364.445 3.864 0 40 FHAB C[C@@H](CC(=O)N1CCCN2CCC[C@H]2C1)c1ccc(C(F)(F)F)cc1 106577807 JGEPTCUNNGJRSO-YOEHRIQHSA-N 354.416 3.896 0 40 FHAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cnc(C(C)C)nc2C)CC1 222573672 ZDAQWYCZPMXEAM-UHFFFAOYSA-N 372.900 3.833 0 40 FHAB C[C@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc2c(c1)CCC2 223243435 WSAUNSJDABWFOI-HNNXBMFYSA-N 351.446 3.757 0 40 FHAB Cc1ccc(OCCNC(=O)COc2ccccc2Cl)cc1Cl 224154641 HSTCEJNFECTACJ-UHFFFAOYSA-N 354.233 3.876 0 40 FHAB COc1ccc(C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1C 225482522 RMYOAEYQSXDEBF-UHFFFAOYSA-N 357.797 3.637 0 40 FHAB Cc1ccc(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225530993 MPANATMIJUFFAJ-IBGZPJMESA-N 366.505 3.788 0 40 FHAB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)COc2ccccc2C)c1 225636556 AALWAIVOCQLOEP-HNNXBMFYSA-N 372.490 3.926 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(C)c(C)cc2C)cc1 225644540 LRHKSQASVIADED-UHFFFAOYSA-N 374.506 3.895 0 40 FHAB CSc1ccccc1NC(=O)Cn1ccc(=O)c2c(C)cc(C)cc21 225757588 BUDJCIYTUQGGBF-UHFFFAOYSA-N 352.459 3.979 0 40 FHAB O=C(CCn1ccc2ccc(F)cc21)NC[C@H]1CCCN2CCCC[C@@H]12 229716294 LOCALLAVIUZBAU-MJGOQNOKSA-N 357.473 3.551 0 40 FHAB O=C(/C=C\c1cccs1)N1C[C@H](c2ccccc2)[C@H](c2ncon2)C1 253403496 PZIIEGVBBUMZAM-MGSINWNPSA-N 351.431 3.554 0 40 FHAB COc1ccccc1N1CCN[C@H](Cc2ccccc2-c2ccccc2)C1=O 257313665 UTOLJYJYGDVZDH-OAQYLSRUSA-N 372.468 3.910 0 40 FHAB CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 511245140 ZKUQGQBGPYRGHO-MRXNPFEDSA-N 374.506 3.941 0 40 FHAB O=C(N[C@@H]1CCOC2(CCC2)C1)c1csc(Cc2ccc(F)cc2)n1 532635454 HOPLDWAIMAHIPF-OAHLLOKOSA-N 360.454 3.705 0 40 FHAB CN1CC[C@@H](Nc2ccnc3cc(F)cnc23)[C@@H]1c1ccc(F)c(F)c1 553455070 FVERKMBCMABRKX-APWZRJJASA-N 358.367 3.904 0 40 FHAB CC(C)n1ccc(CNC(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)n1 562727282 XLJBKUUYPKJSOR-LJQANCHMSA-N 368.481 3.527 0 40 FHAB COc1ccc(S(=O)(=O)NC2(c3cccs3)CCCC2)cc1F 575413729 AAAZEISQYGCNAS-UHFFFAOYSA-N 355.456 3.644 0 40 FHAB O=C(NCc1ccccc1)[C@@H]1CCN(Cc2ncc(Cl)cc2Cl)C1 646057172 YEVLMUMXJDXUNZ-CQSZACIVSA-N 364.276 3.527 0 40 FHAB COc1cc(NC(=O)NC[C@H]2CCN(C(C)(C)C)C2)cc(Cl)c1OC 667287567 LLTOUMKMGDFRIP-GFCCVEGCSA-N 369.893 3.599 0 40 FHAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CCOc2cccc(F)c2C1 669877689 KUUWYEPQQQTPPJ-ZDUSSCGKSA-N 374.460 3.751 0 40 FHAB C[C@@H](Cc1ccccc1Cl)NC(=O)c1c(C(F)F)nc2cnccn12 1533949763 UTPMBCFRUVCDQG-JTQLQIEISA-N 364.783 3.681 0 40 FHAB CCc1c(C)nc(C2CC2)nc1N1CCN(Cc2sc(C)nc2C)CC1 1888870061 FYRFNQPJJGAVFP-UHFFFAOYSA-N 371.554 3.620 0 40 FHAB O=C(Nc1ccccc1)c1nnsc1[S@](=O)c1ccc(Cl)cc1 1401269 WILVTSRBYJQXPP-QHCPKHFHSA-N 363.851 3.611 0 40 FHAB aggregator O=C1OCC2=C1[C@H](c1ccccc1F)CC(=O)N2c1cccc(Cl)c1 1427591 DWQZTJKJAKEXTE-AWEZNQCLSA-N 357.768 3.811 0 40 FHAB CCOC(=O)c1c(NS(=O)(=O)c2ccccc2)sc2c1CCCC2 1512955 CBQRZBXNKYYYEB-UHFFFAOYSA-N 365.476 3.604 0 40 FHAB CCOC(=O)c1cc2cc(CC(=O)c3ccc(OC)cc3O)ccc2o1 2130430 KPVRJHGOXGKBDL-UHFFFAOYSA-N 354.358 3.749 0 40 FHAB biogenic O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc2c(c1)OCCO2 3214800 CJRHPVFVUBFGKM-UHFFFAOYSA-N 356.378 3.973 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=S)NC(=O)c1ccccc1Br 3258927 NKLNOFMQXXTAHD-ZWNOBZJWSA-N 355.301 3.632 0 40 FHAB COC(=O)c1sc2nc(C)nc(SCC(=O)C(C)(C)C)c2c1C 3288464 JANCUGBVEDCSKR-UHFFFAOYSA-N 352.481 3.802 0 40 FHAB COc1ccccc1OCC(=O)OCC(=O)c1cc(Cl)ccc1Cl 3526091 SHBXMFVVTUKAON-UHFFFAOYSA-N 369.200 3.807 0 40 FHAB O=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)Nc1ccc(F)cc1F 4315251 IETFGAHKZZJFLG-UHFFFAOYSA-N 370.403 3.659 0 40 FHAB CCOc1ccc(-c2noc(CCCC(=O)NC3CCCC3)n2)cc1OC 4488201 XFWZJWPQOZMHGI-UHFFFAOYSA-N 373.453 3.525 0 40 FHAB Cc1cccc(-c2nnc3sc([C@@H]4COc5ccccc5O4)nn23)c1 4511669 XLJKDQLZKNNVIJ-HNNXBMFYSA-N 350.403 3.674 0 40 FHAB CC(=O)N1CCCc2cc(NC(=O)c3ccc(Br)o3)ccc21 5099231 VKFSOYQLRNQCLC-UHFFFAOYSA-N 363.211 3.594 0 40 FHAB COc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1[N+](=O)[O-] 6324892 XYRUEEDBANPFQO-UZGJRFSCSA-N 363.439 3.693 0 40 FHAB COC(=O)c1ccc(OCC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 6404929 BQWYKEPNHTWTDA-CQSZACIVSA-N 371.458 3.770 0 40 FHAB COc1cc(C(C)=O)ccc1O[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 7200802 YMXAFPXNPUYTSB-CQSZACIVSA-N 355.390 3.506 0 40 FHAB COc1ccc(OCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1 7544405 ICBUYAQHSLIAJW-CYBMUJFWSA-N 356.447 3.903 0 40 FHAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccccc1Oc1ccccc1 7736113 MVSSPJRBBXEWBE-UHFFFAOYSA-N 371.400 3.771 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(C3CC3)n2C2CC2)c1C 7851678 SNDONIDFHCLVDJ-UHFFFAOYSA-N 358.467 3.613 0 40 FHAB O=C(CCCC(=O)OCC(=O)Nc1ccccc1)Nc1ccc(Cl)cc1 8417505 NMGTXRKSDSYPIQ-UHFFFAOYSA-N 374.824 3.631 0 40 FHAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)/C=C/c1ccsc1 8936830 IKNIBBMRPCGDJB-VOTSOKGWSA-N 368.380 3.877 0 40 FHAB COc1ccc(/C=C/c2nnc(NC(=O)c3cccc(OC)c3)s2)cc1 9287335 NDKGKIAUCOZNAM-DHZHZOJOSA-N 367.430 3.978 0 40 FHAB COc1ccc(-n2ccnc(SCc3ccc(F)cc3)c2=O)cc1OC 9761372 HGDQVYZEVXTBMA-UHFFFAOYSA-N 372.421 3.681 0 40 FHAB O=c1c(NCCc2ccccc2)nccn1-c1ccc(Br)cc1 10273185 KDNPTCKNLVGYAD-UHFFFAOYSA-N 370.250 3.650 0 40 FHAB Cc1cccc(NC(=O)CNC(=O)N[C@H](c2ccccc2)C(C)C)c1C 10493984 PSTZEDLVGNKVPN-FQEVSTJZSA-N 353.466 3.938 0 40 FHAB O=S(=O)(N[C@H]1CCSc2c(F)cccc21)c1cc(F)cc(F)c1 10518203 AENNVCNFWBWGKC-AWEZNQCLSA-N 359.394 3.619 0 40 FHAB CCC(C)(C)C1CCC(NC(=O)CSc2nncn2C2CC2)CC1 10649329 SLKVXLSFWGASKX-UHFFFAOYSA-N 350.532 3.816 0 40 FHAB COc1cccc(-c2nc3cnccn3c2NCc2ccc3c(c2)OCO3)c1 12113785 PVQPQNAYVTZQIS-UHFFFAOYSA-N 374.400 3.746 0 40 FHAB C[C@H](NC(=O)[C@H]1CCCN(c2nc3ccccc3n2C)C1)c1ccccc1 12145810 KQOGQNHCCYUNTL-WMZOPIPTSA-N 362.477 3.667 0 40 FHAB O=C(Cc1cccs1)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1 12183158 COTRYTIJQRUSKL-KRWDZBQOSA-N 355.438 3.809 0 40 FHAB COc1ccccc1NC(=O)[C@H](C)Nc1ccc(N2CCCC2=O)c(C)c1 12538300 YXIZAYJKCHKSQD-HNNXBMFYSA-N 367.449 3.570 0 40 FHAB Cc1ccc(OC[C@@H](O)Cn2c(-c3cscn3)nc3ccccc32)cc1 12560391 JAJNADNKNDWFKF-HNNXBMFYSA-N 365.458 3.908 0 40 FHAB Cc1ccc(CCC(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc1 12744716 KTAWRRAHAKGEJI-HZPDHXFCSA-N 373.522 3.632 0 40 FHAB Cc1ccccc1SCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 12757409 JUYQSZCZMHMDNY-UHFFFAOYSA-N 369.895 3.783 0 40 FHAB CN1CCCN(C(=O)Cc2c[nH]c3ccccc23)c2nc3ccccc3nc21 12783068 FSKVYMZRWPCEHC-UHFFFAOYSA-N 371.444 3.527 0 40 FHAB Cc1cc(Cl)ccc1OCC(=O)NCc1cnn(-c2ccccc2)c1 12821204 JBEMSNXQBWLRBJ-UHFFFAOYSA-N 355.825 3.529 0 40 FHAB CCC(CC)NC(=O)c1ccccc1SCC(=O)NCc1ccco1 13074102 FWGOKWITYPOMKU-UHFFFAOYSA-N 360.479 3.607 0 40 FHAB COc1cc(CCNCc2ccc(NC(C)=O)cc2)ccc1OC(F)F 14138260 GEDUMUORKJSDEJ-UHFFFAOYSA-N 364.392 3.587 0 40 FHAB Cc1cccc(C)c1NC(=O)CN(C)Cc1cc(Cl)cc2c1OCOC2 16624427 BNDJRIMKXOCYTM-UHFFFAOYSA-N 374.868 3.894 0 40 FHAB COc1cc(C2=N/C(=C/C=C\c3ccccc3)C(=O)O2)cc(OC)c1OC 17023237 OSPIILCSAFSNCB-MDKZIDAVSA-N 365.385 3.613 0 40 FHAB Cc1cc(C(=O)N[C@@H](CC(C)C)c2ccccc2)ccc1NS(C)(=O)=O 19933356 IKBMSMWCNFMQSW-IBGZPJMESA-N 374.506 3.884 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1C 20459479 QOKAMWAVMOLFKS-UHFFFAOYSA-N 358.463 3.539 0 40 FHAB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(F)cc1 20479056 DTUDWYOSBMSGBH-UHFFFAOYSA-N 370.405 3.705 0 40 FHAB COc1ccc([C@H](CNC(=O)c2ccc(C(C)=O)s2)N2CCCC2)cc1 21912107 ALNPYSUGIFEODI-KRWDZBQOSA-N 372.490 3.526 0 40 FHAB CCCOc1ccccc1NC(=O)c1ccc(CNC(=O)NC(C)C)cc1 22355279 XEFYHPAMQAFZLP-UHFFFAOYSA-N 369.465 3.935 0 40 FHAB O=C(NC[C@H](c1ccsc1)N1CCOCC1)c1cccc2ccccc12 22765900 YCKDPNDGCVUDCL-HXUWFJFHSA-N 366.486 3.705 0 40 FHAB COc1ccc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)c(F)c1 23640459 ALLDHDNUNGQTDV-UHFFFAOYSA-N 368.861 3.507 0 40 FHAB COc1ccc(CCC(=O)NCc2ccc(F)cc2)cc1Br 24831215 SUFAFOCHSWWNQJ-UHFFFAOYSA-N 366.230 3.846 0 40 FHAB O=C(COc1ccc(F)cc1Cl)Nc1cccc(Cn2ccnc2)c1 25172804 FGFMCGXXUPODDJ-UHFFFAOYSA-N 359.788 3.741 0 40 FHAB CCOC(=O)c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)nc1 25492808 BUGWBLSVNAEQLZ-QGZVFWFLSA-N 368.433 3.761 0 40 FHAB CC[C@H]1[N+]2=C(CCC2)N(c2ccc(OC)cc2)[C@]1(O)c1ccc(Cl)cc1 28629569 UGZKPJFRUKYGMV-CTNGQTDRSA-N 371.888 3.997 0 40 FHAB CCOCc1ccccc1CNC(=O)NCc1ccccc1COCC 31661189 JTUDUDHMUZYCAL-UHFFFAOYSA-N 356.466 3.759 0 40 FHAB CCc1ccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(OC)nn2)cc1 32093896 UFYQEUILMPHMPL-OAHLLOKOSA-N 363.421 3.665 0 40 FHAB O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1cc2c(s1)CCC2 32467719 GCOKRZOIEWINHM-UHFFFAOYSA-N 363.866 3.634 0 40 FHAB COC(=O)C1CCN(C(=O)COc2cc(C(C)C)c(Cl)cc2C)CC1 32814274 KPEKRMOHOGKKQD-UHFFFAOYSA-N 367.873 3.562 0 40 FHAB COc1ccc(CS[C@H](C)C(=O)NCc2ccccc2OC)cc1F 32814590 LVAALCPPKUQJOJ-CYBMUJFWSA-N 363.454 3.781 0 40 FHAB COCCNC(=O)/C(=C/c1ccc(Br)cc1)c1cccs1 32907777 ZFLAGUNBGQBFSH-SDNWHVSQSA-N 366.280 3.814 0 40 FHAB O=C(COc1ccc(F)cc1)NCc1cccnc1Oc1cccc(F)c1 32924696 KFXHRJGOKLWBEI-UHFFFAOYSA-N 370.355 3.847 0 40 FHAB O=C(NC1CCCC1)[C@@H]1CCCN(c2ncnc3c2oc2ccccc23)C1 33290477 BFIINOBIJUTVKS-CQSZACIVSA-N 364.449 3.651 0 40 FHAB CCc1cc(C(=O)NC2CC2)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 36621719 BKSQFGBEXHHTOQ-UHFFFAOYSA-N 364.424 3.892 0 40 FHAB O=C(CNc1ccc2c(c1)OC(F)(F)O2)N1CCC[C@H]1c1cccs1 39992479 ZMGOIZXBAPYUAS-LBPRGKRZSA-N 366.389 3.845 0 40 FHAB CN(CCC(=O)Nc1ccccc1C(=O)c1ccccc1)Cc1ccco1 40025011 LIECSERRUYMSDA-UHFFFAOYSA-N 362.429 3.971 0 40 FHAB C[C@H](SC(=S)N1CCCC1)C(=O)Nc1nc2ccccc2s1 40127413 VPTHSMHOHPBDPD-JTQLQIEISA-N 351.522 3.737 0 40 FHAB COCc1cccc(NC(=O)Cc2csc(-n3c(C)ccc3C)n2)c1 40133066 WRUSFYKTBBGYOQ-UHFFFAOYSA-N 355.463 3.878 0 40 FHAB COc1ccc(Cl)c(NC(=O)[C@@H]2CC(O)=Nc3nc4ccccc4n32)c1 40266255 QPIYXWGOGGIXOH-HNNXBMFYSA-N 370.796 3.870 0 40 FHAB CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc(OC)c1 41077060 MDBNZUZFHIQKMY-UHFFFAOYSA-N 365.433 3.981 0 40 FHAB COc1ccc(-c2cc(C(=O)NCCOc3cccc(C)c3C)no2)cc1 41156691 FKLGHNDYWYQQPH-UHFFFAOYSA-N 366.417 3.776 0 40 FHAB CC(C)(C)NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 42630908 MDMVUAZNJGVQMV-UHFFFAOYSA-N 363.811 3.885 0 40 FHAB CN(C)c1ccccc1NC(=O)NCc1ccccc1CN1CCCC1 44081726 IWFZWJHAYSSNTE-UHFFFAOYSA-N 352.482 3.670 0 40 FHAB O=C(NCCCc1ccc(F)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 44906509 PQBZOLJDLAXSHU-IBGZPJMESA-N 372.459 3.926 0 40 FHAB C[C@H](NC(=O)c1cccc(Cl)c1Cl)c1ccc(NC(N)=O)cc1 45834784 BLTAKVMBANGZEN-VIFPVBQESA-N 352.221 3.975 0 40 FHAB C[C@@]1(c2ccco2)NC(=O)N(Cc2coc(-c3cccc(Cl)c3)n2)C1=O 48260889 ZIDWQBFPJTWJCL-SFHVURJKSA-N 371.780 3.555 0 40 FHAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCn2cccc2[C@H]1c1ccccc1 48340098 FUDHYEJZRKMNPU-BDTMADQZSA-N 372.424 3.862 0 40 FHAB CCOc1ccc([C@@H](C)NC(=O)N2CCC(OCC)CC2)cc1OCC 50095212 HMTUQDAAECQTBA-OAHLLOKOSA-N 364.486 3.756 0 40 FHAB Cc1nc(C(=O)N(C)Cc2ccc([C@H]3C[C@@H]3C)o2)nn1-c1ccc(F)cc1 53194567 MGNDXDCZKABYLM-SJCJKPOMSA-N 368.412 3.703 0 40 FHAB COc1ccc(CN(Cc2nc3ccccc3[nH]2)C[C@H]2CCCO2)cc1 53536562 JPQIWJYIAZVPAN-GOSISDBHSA-N 351.450 3.753 0 40 FHAB CC(=O)N1CCC(C(=O)Nc2ccc(N3CCc4ccccc43)cc2)CC1 55392002 OVMZBUFYKWXCHO-UHFFFAOYSA-N 363.461 3.578 0 40 FHAB O=C(NCc1cccc(C(F)(F)F)c1)Nc1cccc2c1OCCO2 56722441 SAXSCRHNGRZOOB-UHFFFAOYSA-N 352.312 3.798 0 40 FHAB O=C(Nc1nc2ccc(-n3cnnc3)cc2s1)c1ccccc1Cl 57340596 RVWZUTKGTAIVDM-UHFFFAOYSA-N 355.810 3.783 0 40 FHAB Cc1ccc(N(C)C(=O)Cc2csc(NC(=O)c3ccoc3C)n2)cc1 58309133 QXZDUJHWWCUFJV-UHFFFAOYSA-N 369.446 3.811 0 40 FHAB CC(C)N1CC[C@@H](CNC(=O)c2ccc(Br)cc2Cl)C1 58358020 MDMPRBBYGNMQRF-NSHDSACASA-N 359.695 3.563 0 40 FHAB CCc1ccc([C@H](C)NC(=O)N2CCC(C(=O)N(CC)CC)CC2)cc1 58424012 RGDFQIJNQDSTQV-INIZCTEOSA-N 359.514 3.600 0 40 FHAB Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1CNC[C@@H](C)O 61011947 SQQVONZWSBTJEN-SECBINFHSA-N 362.688 3.670 0 40 FHAB COc1ccc(C2(C(=O)Nc3cccc4c3ccn4C)CCOCC2)cc1 70666586 VQIXYMPDMVQEEK-UHFFFAOYSA-N 364.445 3.874 0 40 FHAB biogenic COc1cccc(CNC(=O)CNc2cccc(Cl)c2NC(C)C)c1 72312423 QCRADWOJAHYGMQ-UHFFFAOYSA-N 361.873 3.897 0 40 FHAB COc1ccc(OC)c(CNC(=O)c2cn[nH]c2-c2cccc(Cl)c2)c1 72328847 UOEWNVGJQOKEIY-UHFFFAOYSA-N 371.824 3.677 0 40 FHAB Cc1cccc(Oc2nccnc2[C@H]2CCCN(C(=O)c3ccccn3)C2)c1 72362253 UUEBYUVIRCAFRE-KRWDZBQOSA-N 374.444 3.992 0 40 FHAB CCc1nccn1-c1cncc([C@@H]2CCCN2Cc2ccc(F)cc2)n1 72378651 KYHPDROFQFDTAP-SFHVURJKSA-N 351.429 3.701 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc2cc(F)ccc2n1C 72406109 JWVVOUMPRVTHJY-UHFFFAOYSA-N 355.369 3.537 0 40 FHAB COc1ccc2c(CC(=O)N(CCN(C)C)Cc3cccs3)coc2c1 75108250 VPTAFABUJNQSBP-UHFFFAOYSA-N 372.490 3.636 0 40 FHAB C[C@H]1CN(CCCCNC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 75110082 XTLCTTFSOAVKJS-KBPBESRZSA-N 373.419 3.716 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)NCC[C@H](O)c2cccc3ccccc23)c1 77117694 NMASREPUUZRCQT-FQEVSTJZSA-N 369.486 3.859 0 40 FHAB COCCn1ccc2c(NC(=O)Cc3cc(F)c(F)cc3F)cccc21 79492724 ZXXSFAOGONKXFH-UHFFFAOYSA-N 362.351 3.886 0 40 FHAB O=S(=O)(N[C@H]1CCCOc2ccc(F)cc21)C1=Cc2ccccc2CC1 84581788 IQAJNYAPEAFSJZ-IBGZPJMESA-N 373.449 3.946 0 40 FHAB COc1ccc(CNS(=O)(=O)c2cc(Cl)c(Cl)cc2C)cc1 95945918 DYWZXYRXXVCLKT-UHFFFAOYSA-N 360.262 3.789 0 40 FHAB COCCCOc1cccc(CNCc2cc(OC)c(OC)cc2C)c1 97020847 SMUGPKQCVGSLNI-UHFFFAOYSA-N 359.466 3.717 0 40 FHAB Cc1nn([C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)c1C 100903374 MDHRYGIAHCNGHG-CQSZACIVSA-N 352.221 3.620 0 40 FHAB CCOc1ccc(C(=O)c2cnc3ccccc3c2N2CCOCC2)cc1 101552121 IYCZYMGXQXOGHV-UHFFFAOYSA-N 362.429 3.701 0 40 FHAB O=C(NC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)C1)Nc1cccc(F)c1 106866937 BSAAOHVDBOJIDI-CYJAXWMASA-N 373.472 3.622 0 40 FHAB O=C(c1ccc(C2CCCCC2)cc1)N1CCC(Cn2ccnn2)CC1 155163510 ZDSNLQVKLDSASW-UHFFFAOYSA-N 352.482 3.878 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)cc1C 219523671 HMACLDMWHSUOSF-CQSZACIVSA-N 371.462 3.841 0 40 FHAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCc1ccc(OC)c(OC)c1 222979438 FDAWZZUYNHNOLV-LJQANCHMSA-N 371.477 3.837 0 40 FHAB CCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)c(C)c1 224209723 DVAGBJAEAGQJRE-UHFFFAOYSA-N 374.506 3.658 0 40 FHAB CCCC[C@@H](CC)CNC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 224411999 PUZMZVXTZTUSAY-GFCCVEGCSA-N 360.907 3.658 0 40 FHAB C[C@H]1C[C@H](C)CN(CCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 224989080 DRVHXZLGESVDJA-HOTGVXAUSA-N 366.933 3.982 0 40 FHAB Cc1ccc(N2N[C@](C)(c3cccc(Br)c3)NC2=S)cc1 225342759 AYDFEQVSWBLULV-MRXNPFEDSA-N 362.296 3.830 0 40 FHAB COc1cc(N2CCCCC2)nc(NC(=S)N[C@H](C)c2ccccc2)n1 225957144 CISXMYHNXORXGB-CQSZACIVSA-N 371.510 3.523 0 40 FHAB C[C@H]1CCCN(c2cc(Cl)nc(NC(=S)NC3CCCCC3)n2)C1 226009474 WPNMEOMNRINKLL-LBPRGKRZSA-N 367.950 3.985 0 40 FHAB CCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCCC[C@H]1C 226277132 QPEGXVAGRJRWRD-GFCCVEGCSA-N 372.387 3.767 0 40 FHAB O=C(NCc1ccc(F)cc1)c1cn(-c2cccc(C(F)(F)F)c2)cn1 227115159 QDBVZZYFFIQRBS-UHFFFAOYSA-N 363.314 3.960 0 40 FHAB COc1ccc(C2(C(=O)N3CCC[C@@H](c4ncc(C)s4)C3)CC2)cc1 257249632 JJDCTCOUSBOTNT-OAHLLOKOSA-N 356.491 3.898 0 40 FHAB Cc1noc(C)c1-c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)cn1 257311721 UKTJYWHIXIHHLC-UHFFFAOYSA-N 358.442 3.863 0 40 FHAB CCOc1cccc(C(=O)NC(=S)Nc2c(C)ccc3nsnc23)c1 408572292 INIQOALXQDOSJM-UHFFFAOYSA-N 372.475 3.525 0 40 FHAB CCn1cc(C(=O)Nc2ccc(NC(C)=O)cc2)c(=O)c2cc(C)ccc21 408713245 PJESTBFGAQFDTE-UHFFFAOYSA-N 363.417 3.541 0 40 FHAB CC[C@H](O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1[S@@]2=O 504009037 VGGVFHIGFNOLIM-BVZFJXPGSA-N 358.507 3.700 0 40 FHAB in-vitro O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1ccc2nc(CO)[nH]c2c1 524735819 ZWYCKIKWZUWLQX-KRWDZBQOSA-N 366.446 3.536 0 40 FHAB O=S(=O)(NCc1ccc(-c2ccsc2)o1)c1c(F)cccc1F 575609549 DINFISFPCMZSLF-UHFFFAOYSA-N 355.387 3.765 0 40 FHAB O=C(NCc1ccc(Cl)cc1)NC[C@H](c1cccs1)n1cccn1 575612423 ADXDMJYMLITBAU-OAHLLOKOSA-N 360.870 3.687 0 40 FHAB Cc1cc(F)ccc1C1CCN(C(=O)N[C@H](c2nccn2C)C2CC2)CC1 578951158 NAKLODWHBYWZBA-IBGZPJMESA-N 370.472 3.908 0 40 FHAB Cc1c(-c2cc(CN3Cc4ccccc4OC(C)(C)C3)on2)cnn1C 585083898 VVARURDPLZPJGS-UHFFFAOYSA-N 352.438 3.557 0 40 FHAB COC[C@H]1CN(Cc2ccco2)CC12CCN(Cc1ccccc1)CC2 585102924 IPSPRAOHZPSZRP-HXUWFJFHSA-N 354.494 3.640 0 40 FHAB CC1(C)Cc2ccc(Cl)c(NC(=O)N3CC[C@@H](n4cccn4)C3)c2O1 643485877 VVQVCMOMWNMXCL-CYBMUJFWSA-N 360.845 3.729 0 40 FHAB CN1CCCCCN[C@@H](Cc2ccccc2)COc2ccccc2C1=O 643569467 HBQVCHIUCYMOJN-IBGZPJMESA-N 352.478 3.522 0 40 FHAB COc1cccc2[nH]c(C(=O)Nc3c[nH]nc3-c3ccccc3F)cc12 1634292042 NITAMBKAKBHBRH-UHFFFAOYSA-N 350.353 3.958 0 40 FHAB Cc1cc(OC[C@@H]2CCCN(C(=O)Nc3c(F)cccc3F)C2)ccn1 1775970318 BJTOUGASPFZCLW-CQSZACIVSA-N 361.392 3.991 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(CCc3ccccc3)n2C)cc1 687304 FNNWCXICMUYRER-UHFFFAOYSA-N 366.490 3.640 0 40 FHAB COc1ccc(OCc2nnc(SCC(=O)c3ccccc3)o2)cc1 876117 ZLOFNWRXZOVHJW-UHFFFAOYSA-N 356.403 3.632 0 40 FHAB O=C(CCN1C(=O)S/C(=C\c2ccccc2)C1=O)Nc1ccc(F)cc1 1236709 YLKSJCJARDWBRP-VBKFSLOCSA-N 370.405 3.891 0 40 FHAB CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1ccccc1F 1438278 ZZHNYIKOWFMIOV-UHFFFAOYSA-N 361.413 3.529 0 40 FHAB Cn1c(=O)c2ccccc2n(CC(=O)c2ccc3c(c2)CCCC3)c1=S 1441817 XJKYTHHTGQJSBZ-UHFFFAOYSA-N 364.470 3.831 0 40 FHAB CC(=O)c1c(C)[nH]c(-c2ccccc2)c1NS(=O)(=O)c1ccc(N)cc1 1610051 YEDUVBRIFIUVNN-UHFFFAOYSA-N 369.446 3.576 0 40 FHAB CCc1cccc(CC)c1NC(=O)COC(=O)c1c(OC)cccc1OC 1993591 MELZAORBLUPBLL-UHFFFAOYSA-N 371.433 3.624 0 40 FHAB COCCCNc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 2418281 AHINYCBHMVFNNF-UHFFFAOYSA-N 358.467 3.539 0 40 FHAB C[C@H](OC(=O)c1cccnc1Cl)C(=O)Nc1ccc(C(F)(F)F)cc1 2665198 KDADQZUROOFYTJ-VIFPVBQESA-N 372.730 3.938 0 40 FHAB O=C(COC(=O)c1ccc(Cl)cc1)Nc1ccccc1OC(F)F 3282395 AOSRRZSKJZZDHD-UHFFFAOYSA-N 355.724 3.737 0 40 FHAB CN(Cc1ccccc1Cl)C(=O)CNC(=O)c1ccc2ccccc2c1 3415823 WQSVJDDWTFMDTD-UHFFFAOYSA-N 366.848 3.882 0 40 FHAB Cc1ccc(CN2C[C@H](C(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1 3416295 LRQXYQWOIQWELB-CQSZACIVSA-N 360.816 3.775 0 40 FHAB CCC[C@H](C)NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1 3446768 KRAKNPPYPYNOPL-AWEZNQCLSA-N 351.874 4.000 0 40 FHAB COc1cccc(OCC(=O)Oc2ccc(C(=O)c3ccccc3)cc2)c1 4071624 BLKRLETTZLSUNG-UHFFFAOYSA-N 362.381 3.911 0 40 FHAB O=C(OC1CCCCC1)c1nnsc1[S@](=O)c1ccc(Cl)cc1 4073567 DIBGWVIEMYJBBR-QHCPKHFHSA-N 370.883 3.848 0 40 FHAB CC(C)NC(=O)c1cc(N)ccc1N1CCC(Cc2ccccc2)CC1 4155279 MVLJPFVTNBBONM-UHFFFAOYSA-N 351.494 3.866 0 40 FHAB O=C1Oc2ccccc2[C@H]2c3sc(=O)[nH]c3S[C@H](c3ccccc3)[C@@H]12 4279888 QBSQXDUSRCMDLO-QLFBSQMISA-N 367.451 3.951 0 40 FHAB CCOc1cc(Cl)c(S(=O)(=O)n2cc(C)nc2CC)cc1Cl 4908535 JDGNGSSOTLAHHN-UHFFFAOYSA-N 363.266 3.696 0 40 FHAB COc1ccc2nc(N[C@@H]3OC(=O)c4c3ccc(OC)c4OC)sc2c1 4997827 RVCAHWKNPRNHLI-MRXNPFEDSA-N 372.402 3.603 0 40 FHAB CCOC(=O)Cc1csc(SCC(=O)c2c[nH]c3ccccc23)n1 5014559 PIGWJGRFFJHRID-UHFFFAOYSA-N 360.460 3.705 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CC(=O)N(c2ccccc2)C1 5123156 RRFSJHYWJLTKKW-CQSZACIVSA-N 363.339 3.632 0 40 FHAB O=C(Nc1ccc(F)c(F)c1)c1cccn(Cc2cccc(F)c2)c1=O 5268811 BMJQXZXLFMFKIB-UHFFFAOYSA-N 358.319 3.566 0 40 FHAB Cc1csc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)n1 5269418 RWBLDROYMGLMTM-UHFFFAOYSA-N 359.838 3.567 0 40 FHAB COc1ccc(-c2noc(CCC(=O)Nc3ccc(C)cc3C)n2)cc1 5575870 AWTQHBSSZXBWBE-UHFFFAOYSA-N 351.406 3.933 0 40 FHAB Cc1ccc2nc([C@@H]3CCCN(C(=S)NCc4ccco4)C3)[nH]c2c1 5988486 BOOXELNMRWMJBN-CQSZACIVSA-N 354.479 3.718 0 40 FHAB COc1cccc(NC(=O)[C@@H](C)Sc2nncn2-c2ccccc2F)c1 6129269 OCRPZXABCBYYAA-GFCCVEGCSA-N 372.425 3.534 0 40 FHAB COc1ccc(-c2s/c(=N\C(C)=O)n(C)c2-c2ccc(OC)cc2)cc1 6295919 ZNQMDOSLUZQICV-MRCUWXFGSA-N 368.458 3.885 0 40 FHAB Cc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCCC3)cc2)cc1 6546376 CZPPFJWDVDPDMK-UHFFFAOYSA-N 353.491 3.718 0 40 FHAB COc1ccc(CC(=O)Nc2nc(-c3ccc(C)o3)cs2)cc1OC 6587914 GZPRENVLXURFPT-UHFFFAOYSA-N 358.419 3.910 0 40 FHAB CCOc1ccc(-c2nonc2NC(=O)c2cccc(OCC)c2)cc1 6767589 MYIODIXNRVICKZ-UHFFFAOYSA-N 353.378 3.786 0 40 FHAB CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nccn1-c1cccc(F)c1 6972953 OYXSOGOCHQBMLP-CYBMUJFWSA-N 373.457 3.908 0 40 FHAB Cc1cccc(C)c1OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 7073529 GSEMNFSSZWQNAF-UHFFFAOYSA-N 366.461 3.560 0 40 FHAB COc1ccc(NC(=O)C2(CC(=O)NC3CC3)CCCCC2)cc1Cl 7921059 RVMRJRXZCWLBPG-UHFFFAOYSA-N 364.873 3.906 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(Br)s2)c1C 8745559 RCULLAOEFBYVCJ-UHFFFAOYSA-N 369.284 3.930 0 40 FHAB Cn1ccnc1SCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 8748410 JLCIJIRUNXQFAN-UHFFFAOYSA-N 369.494 3.634 0 40 FHAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc(-n2cccn2)cc1 8754079 OEYAPKGOQKSRBZ-UHFFFAOYSA-N 359.351 3.864 0 40 FHAB O=C(c1ccncc1)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1 9158996 IYUYIVDXSPGMHV-UHFFFAOYSA-N 355.397 3.770 0 40 FHAB CC(=O)NCc1ccc(-c2csc(NC(=O)CCc3ccccc3)n2)o1 9364633 CFMQUYKBRUHEHU-UHFFFAOYSA-N 369.446 3.611 0 40 FHAB COc1cccc(-c2noc(CSc3nnc(NC(C)C)s3)n2)c1 11151300 AWVBBXJFTIPDOX-UHFFFAOYSA-N 363.468 3.709 0 40 FHAB CCS(=O)(=O)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1 11541962 KCBUNPKDWGGVKD-UHFFFAOYSA-N 370.430 3.696 0 40 FHAB CC(C)C(=O)Nc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 11715712 GVDUSQACSWDJNI-UHFFFAOYSA-N 350.374 3.640 0 40 FHAB Cc1ccccc1-n1nnnc1SCCC(=O)Nc1ccc(Cl)cc1 12273995 LJZCYCVWZZUZOG-UHFFFAOYSA-N 373.869 3.745 0 40 FHAB Cc1nc(SCc2nnnn2-c2ccccc2)n(C2CCCC2)c1C 12506382 LIGGNLNRCBFQHH-UHFFFAOYSA-N 354.483 3.883 0 40 FHAB CNC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 12778439 NKUQCIZDFGXMII-UHFFFAOYSA-N 373.412 3.551 0 40 FHAB Cc1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1 12933462 CXUWYSXYPYQBBS-UHFFFAOYSA-N 353.447 3.694 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)Nc1cccc(OC[C@@H]2CCCO2)c1 12983292 KRDNHJXMVGFDKU-SFHVURJKSA-N 369.417 3.544 0 40 FHAB Cn1c(=O)n(CC(=O)Nc2ccccc2-c2ccccc2)c2ccccc21 14107008 GSJWJHDBLRFUKA-UHFFFAOYSA-N 357.413 3.646 0 40 FHAB CC(=O)c1c[nH]c(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1 14142288 ZGKVXKTUNUSHAH-VIFPVBQESA-N 369.204 3.708 0 40 FHAB O=C(CSc1nnc(-c2ccco2)[nH]1)Nc1cccc(C(F)(F)F)c1 14152344 LQXSMOLQDOTSKB-UHFFFAOYSA-N 368.340 3.814 0 40 FHAB CN1C(=O)CCc2cc(NC(=O)c3ccccc3Br)ccc21 16916621 WCNPDMCSYNNKSE-UHFFFAOYSA-N 359.223 3.610 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cc2cc(C)ccc2C)cc1 20050825 JMQAXWRWJOMWBE-UHFFFAOYSA-N 374.506 3.515 0 40 FHAB COc1c2c(cc3c1[C@H](CC(=O)[C@H]1CC=C(C)CC1)N(C)CC3)OCO2 20111875 XPECFPNIEZESQR-HOCLYGCPSA-N 357.450 3.659 0 40 FHAB biogenic CCc1ccc(OCC(=O)OCC(=O)N[C@H](C)c2ccc(CC)cc2)cc1 21975459 NPHOVMJWLLCUIA-MRXNPFEDSA-N 369.461 3.611 0 40 FHAB O[C@@](/C=C/c1ccc(Br)cc1)(Cn1ccnc1)c1ccccn1 22115067 HWVCWHYWRZUVID-BLGFXRMMSA-N 370.250 3.642 0 40 FHAB Cc1noc(C)c1COc1cccc(C(=O)n2cccc/c2=N\C(C)C)c1 22378852 KNYBYIRMGXFTRM-LSDHQDQOSA-N 365.433 3.670 0 40 FHAB COc1ccc([C@@H](CNC(=O)Cc2coc3cc(C)ccc23)N(C)C)cc1 22439079 NMDYNPQKOZNQOA-HXUWFJFHSA-N 366.461 3.711 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)N1CCC(c2nnc(C3CC3)s2)CC1 23140957 JXAFLRKSORLOGI-UHFFFAOYSA-N 372.450 3.556 0 40 FHAB CC(=O)NCc1ccc(C(=O)N2CC[C@H](C)Sc3ccccc32)cc1 24585562 IHHZFEBMQQHYOS-AWEZNQCLSA-N 354.475 3.854 0 40 FHAB COC(=O)C[C@H](NC(=O)c1ccccc1Br)c1cccs1 24840448 XJYJNRMQDKMBRJ-LBPRGKRZSA-N 368.252 3.545 0 40 FHAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc3c4c(cccc24)CC3)c1 27247114 UCCHPDPVEVLDNQ-UHFFFAOYSA-N 366.442 3.562 0 40 FHAB Cc1cc(N)nc(S[C@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)n1 31745787 AHQSQGUNVCALTO-GFCCVEGCSA-N 372.494 3.715 0 40 FHAB O=C(Nc1cccc(Oc2ncccn2)c1)c1ccc(Br)o1 32027786 LFMQMKLRFUMRNT-UHFFFAOYSA-N 360.167 3.877 0 40 FHAB Cc1cccc(OCC(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)c1C 33318642 YLXAAOUEMOCDBG-UHFFFAOYSA-N 370.840 3.614 0 40 FHAB CC(C)NC(=O)COc1ccccc1-c1noc(-c2ccc(Cl)cc2)n1 33325191 QCRYTGPETYQANO-UHFFFAOYSA-N 371.824 3.960 0 40 FHAB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 35040408 JRICYHLMHVQGHK-FMNNIJNLSA-N 353.440 3.526 0 40 FHAB CCn1c(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2)nc2ccccc21 36398135 RAUBFNILIIXZOP-ZDUSSCGKSA-N 357.841 3.793 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)c2cnc3ccccc3n2)c(OC)c1 39983257 GGHSRILLDYINOU-IBGZPJMESA-N 363.417 3.624 0 40 FHAB Cc1sc(-c2ccco2)nc1C(=O)NC[C@@H](c1ccco1)N1CCCC1 40062691 GLQCQRCXMBGQKD-AWEZNQCLSA-N 371.462 3.871 0 40 FHAB CCC[C@@H](C)NC(=O)CSCc1nc(-c2cccc(Cl)c2)no1 40067423 CEXBJVNJGDSDRO-LLVKDONJSA-N 353.875 3.928 0 40 FHAB Cc1ccccc1CS(=O)(=O)[C@H](C)C(=O)Nc1ccc(Cl)cc1 40105959 JNMWTIMCCKNGRH-CYBMUJFWSA-N 351.855 3.590 0 40 FHAB CC(C)CNC(=O)C1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 40287186 HTDCSLQELJKVKM-UHFFFAOYSA-N 372.538 3.559 0 40 FHAB O=C1C[C@@H](c2nc(-c3cccc(Cl)c3)no2)CN1CCc1ccccc1 44440796 RTRMAMVPZODEKP-MRXNPFEDSA-N 367.836 3.949 0 40 FHAB Cc1ccccc1-c1noc(CSCC(=O)N[C@H]2CCCC[C@@H]2C)n1 45025144 AQVPEAOWIIWOSJ-HOCLYGCPSA-N 359.495 3.973 0 40 FHAB Cc1cc(NC(=O)NCC2(NC(=O)OC(C)(C)C)CCCCCC2)no1 46984188 ISZJVBJBUVSQFD-UHFFFAOYSA-N 366.462 3.722 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)CNc1ccccc1-n1cccn1 47272843 RKXRLJRJANLZEP-UHFFFAOYSA-N 370.840 3.893 0 40 FHAB COc1cc(NC(=O)c2sccc2C)c(C(=O)N2CCCC2)cc1OC 47570348 BKBPSVNWKLCFAO-UHFFFAOYSA-N 374.462 3.562 0 40 FHAB O=C(CNC(=O)c1ccoc1)Nc1nc2ccccc2n1C1CCCCC1 48375179 CUZJMHZWOYDWLL-UHFFFAOYSA-N 366.421 3.503 0 40 FHAB FC(F)(F)c1cccc(Nc2nnnc3c2cnn3-c2ccccc2)c1 49029833 BCYMZUALTDSWLF-UHFFFAOYSA-N 356.311 3.973 0 40 FHAB CC(C)c1ccc(CN(CN2C(=O)NC3(CCCCC3)C2=O)C2CC2)cc1 52583354 NDOOUKVMNVROEJ-UHFFFAOYSA-N 369.509 3.987 0 40 FHAB COC(=O)c1sc(N2CCC(COc3ccccc3)CC2)nc1Cl 54981426 QUIVYYHWTCMKHP-UHFFFAOYSA-N 366.870 3.879 0 40 FHAB Cc1nc2ccccc2n1CC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 55946465 PSAUNNMCCLLIAD-CTNGQTDRSA-N 367.424 3.520 0 40 FHAB CC(C)(C)n1ncc(C(=O)NCCCOc2ccccc2)c1C(F)(F)F 56268235 IEVSXFBMQGWTDY-UHFFFAOYSA-N 369.387 3.856 0 40 FHAB Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2Cc1ccccc1 58013915 VOXUOFHZDZDYOM-UHFFFAOYSA-N 362.454 3.879 0 40 FHAB O=C(CNC(=O)c1ccco1)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 58167275 VNOTXWGZHVSUQK-KRWDZBQOSA-N 374.849 3.630 0 40 FHAB CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(F)c(F)c2)c1C 58226809 ZQTBDRGLLQJAMY-UHFFFAOYSA-N 368.405 3.677 0 40 FHAB Cn1cc([C@H]2C[C@H]2C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)cn1 68439908 AHLIJXHBIFCHRV-QZTJIDSGSA-N 357.885 3.805 0 40 FHAB Cc1cc(NC(=O)C2=Cc3cc(Cl)ccc3OC2)n(-c2ccncc2)n1 72303445 UEDDSOFRAAZMNQ-UHFFFAOYSA-N 366.808 3.644 0 40 FHAB CCO[C@H](C)c1noc(CNc2cc(N3CCCC3=O)ccc2Cl)n1 76713542 RMCQMKYAZQNJFU-LLVKDONJSA-N 364.833 3.559 0 40 FHAB Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2cc(F)cc(Cl)c2O)c1 78999863 GPKNCPCVYPSYDF-NSHDSACASA-N 365.788 3.986 0 40 FHAB Cc1c(NS(=O)(=O)C[C@H](C)c2ccccc2)cnn1-c1ccccc1 89645331 PHEUGDCVFDBUMM-HNNXBMFYSA-N 355.463 3.726 0 40 FHAB COC(=O)CN(Cc1ccccc1)Cc1nc(-c2ccc(Cl)cc2)no1 95369387 QCDJWUJMPJFMRW-UHFFFAOYSA-N 371.824 3.565 0 40 FHAB O=S(=O)(N[C@@H](C1CCCC1)C(F)(F)F)c1cc(F)c(F)cc1F 95454465 MRMBVTFIRVMQEM-LBPRGKRZSA-N 361.307 3.503 0 40 FHAB COCCn1ccc2ccc(NC(=O)COc3ccc(Cl)cc3)cc21 95457852 FLCHZDRZCVXJSG-UHFFFAOYSA-N 358.825 3.959 0 40 FHAB CC(C)NC(=O)N(C)c1ccc(OCCc2ccc3c(c2)CCO3)cc1 95941895 HAVVVAWEULEUEE-UHFFFAOYSA-N 354.450 3.797 0 40 FHAB c1ccc2c(c1)[C@@H](N1CCOCC1)CCC21CCN(c2nccs2)CC1 96079677 PHJIDPLJSCCXJA-IBGZPJMESA-N 369.534 3.848 0 40 FHAB O=C(Cn1ccc2ccccc21)N1CCC(Oc2ncccc2Cl)CC1 96096853 ICYFJEMDBRQFOL-UHFFFAOYSA-N 369.852 3.760 0 40 FHAB CN(C)c1cccc(C(=O)NCC2(Sc3ccccc3)CCOCC2)c1 96331016 XYVYMWAAFDDYNH-UHFFFAOYSA-N 370.518 3.824 0 40 FHAB O=C(c1cc[nH]n1)N1[C@H]2CC[C@@H](C2)[C@H]1COc1cccc(C(F)(F)F)c1 100112628 BZXPEXNZLVSDNP-DETPVDSQSA-N 365.355 3.501 0 40 FHAB O=C1[C@@H]2[C@@H]3c4ccccc4[C@H]([C@@H]4C=CC=C[C@@H]43)[C@H]2C(=O)N1c1nccs1 100607280 PLTCVYQUFQAGBO-IKSLDARFSA-N 360.438 3.502 0 40 FHAB Cc1nn(CC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2c1[C@H]1[C@@H](C2)C1(C)C 100744515 NQHRPUQJUPOLDQ-CQIVLNHVSA-N 355.526 3.914 0 40 FHAB biogenic NC(=O)Cc1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1 100913465 IECKVFSSMRXBID-UHFFFAOYSA-N 370.412 3.774 0 40 FHAB CCc1ccc(N[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 101276986 PNEHCIPYPPQNNA-INIZCTEOSA-N 373.250 3.756 0 40 FHAB O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(OC(F)F)cc1 102179695 YGTNMKFWJLIVDF-AVGNSLFASA-N 353.365 3.596 0 40 FHAB COc1cc(OC)cc([C@H]2Nc3nonc3N=C3CC(C)(C)CC(O)=C32)c1 102736236 HWBOESPTCOYUAW-MRXNPFEDSA-N 370.409 3.958 0 40 FHAB CCc1cccc(C)c1NC(=O)c1ccc(N(CC)S(=O)(=O)CC)cc1 222396121 QKBQKYABRCHEMT-UHFFFAOYSA-N 374.506 3.986 0 40 FHAB CCOc1ccc(-c2noc(CNC(=O)CCc3ccc(F)cc3)n2)cc1 223953615 UMYYDCORUSQHTQ-UHFFFAOYSA-N 369.396 3.523 0 40 FHAB COc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1Cl 224755485 QRQAFJDWIGWDEJ-UHFFFAOYSA-N 359.853 3.827 0 40 FHAB CC[C@@H](NS(=O)(=O)Cc1ccc(F)cc1)c1ccc(OC)c(C)c1 224990326 YMNXIUWHNSBQIF-QGZVFWFLSA-N 351.443 3.713 0 40 FHAB CCOc1ccc(C(=O)NCCOc2ccc(CC)cc2)cc1OCC 225065984 NELGUAYHNNOFHA-UHFFFAOYSA-N 357.450 3.855 0 40 FHAB CCOc1ccc(C(=O)N[C@H](C)COc2ccc(OC)cc2)cc1Cl 225098165 CJJIWXCHZWNTAL-CYBMUJFWSA-N 363.841 3.945 0 40 FHAB O=C(O)[C@@H](Cc1cccc2ccccc12)N1CCN(c2ccccc2)CC1 225143519 GNWZKIUMYFSCNE-JOCHJYFZSA-N 360.457 3.658 0 40 FHAB Cc1ccc(-c2nnc(NC(=O)/C=C/c3ccc4c(c3)OCO4)s2)cc1 225540332 OMIWJEVRSMNDPH-WEVVVXLNSA-N 365.414 3.894 0 40 FHAB C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)c1cc(Br)cs1 225600316 WIUDVIXXZSWATE-SNVBAGLBSA-N 366.280 3.807 0 40 FHAB COC1(C(=O)Nc2ccc(OCCN3CCCC[C@@H]3C)cc2)CCCC1 225626027 GGOGBNIWUPQZMW-KRWDZBQOSA-N 360.498 3.838 0 40 FHAB O=C(Nc1cccc2ncccc12)c1ccc(O[C@H]2CCSC2)nc1 225715398 ODBLNQFAJNGOHO-AWEZNQCLSA-N 351.431 3.766 0 40 FHAB Cc1cc(NC(=O)COc2ccccc2F)cc(Br)c1O 226243334 RPQJXKYGTJESJV-UHFFFAOYSA-N 354.175 3.620 0 40 FHAB CCCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCCCC1 226277232 GVJGAMZYJMTMMP-UHFFFAOYSA-N 358.360 3.745 0 40 FHAB Cc1nn(C)c(C)c1CN(C)C(=O)[C@H](c1ccccc1)N1CCCC[C@H]1C 248125521 WUTXIZZJCLRCEZ-IERDGZPVSA-N 368.525 3.611 0 40 FHAB Cc1nccc(N2CCO[C@H](c3ncc(Cc4ccccc4Cl)o3)C2)n1 257229354 FXTSNAKSBCUARY-KRWDZBQOSA-N 370.840 3.595 0 40 FHAB Cc1cccc(C)c1NC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1 409196607 WRPACUKWCAPZHJ-UHFFFAOYSA-N 374.506 3.561 0 40 FHAB CCc1nc(C)c(C(=O)Nc2ccccc2-c2ncc3n2CCCC3)o1 516923747 QUAJKTWJHHSEPF-UHFFFAOYSA-N 350.422 3.998 0 40 FHAB O=C(NCC[C@@H](CCO)c1cccs1)c1ccccc1Br 575603293 CHKOZPTVXLBFLK-LBPRGKRZSA-N 368.296 3.797 0 40 FHAB COc1ccc(C(=O)NC[C@@H](c2ccsc2)n2nc(C)cc2C)cc1F 575612990 FAGWTUODUUNIEX-KRWDZBQOSA-N 373.453 3.729 0 40 FHAB C[C@H](C(=O)O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 685939973 OSUNOLNZLUSNAD-CYBMUJFWSA-N 351.402 3.778 0 40 FHAB O=C1CC(C(=O)NCc2cnc(-c3ccccc3)s2)(c2ccccc2)C1 1324742249 NMJJQRMIFZDFIU-UHFFFAOYSA-N 362.454 3.727 0 40 FHAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(Cc2ccccc2)CC1 1889035068 HBAWSSROMVWIHW-UHFFFAOYSA-N 365.452 3.756 0 40 FHAB Cc1ccn([C@H](C)c2nnc(Nc3ccn(Cc4ccccc4)n3)s2)n1 2731298 REWFPUPYHVQJKX-CQSZACIVSA-N 365.466 3.641 0 40 FHAB COc1ccccc1CN(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C(C)=O 1366500 NSHAQKUKOGSMSH-UHFFFAOYSA-N 364.445 3.702 0 40 FHAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(C)c(Cl)c2)cc1 2940440 HVGWHSMFZUYICT-UHFFFAOYSA-N 351.855 3.759 0 40 FHAB C[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc(Cl)c(Cl)c1 22652437 XCLCMOYYNZYVJG-SECBINFHSA-N 365.216 3.815 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3)o2)cc1 3459066 FVHDIXIITBOEPR-UHFFFAOYSA-N 355.419 3.784 0 40 FHAB C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCN(CCc2ccccc2)CC1 22916319 ICRCWILFHAMNGS-QGZVFWFLSA-N 371.912 3.527 0 40 FHAB COC(=O)c1ccc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)cc1 822639 NGCABFWXMAYEBM-UYRXBGFRSA-N 357.365 3.971 0 40 FHAB Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)COc2ccc(Cl)cc2)o1 8915440 UMNZQSRKMXUFFY-KRWDZBQOSA-N 363.841 3.828 0 40 FHAB O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)c1ccc2c(c1)OCO2 6062816 HZOBHLRWDYIXNH-UHFFFAOYSA-N 370.376 3.792 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)Nc1ccnn1Cc1ccccc1Cl 23272575 RXNUJWKSOJSALU-AWEZNQCLSA-N 355.825 3.991 0 40 FHAB CCC[C@@H](C)NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 6945619 QSWSACXYIVPOQG-MRXNPFEDSA-N 374.506 3.571 0 40 FHAB O=C(CCSc1ccc(Cl)cc1)NC[C@@H]1COc2ccccc2O1 7007768 RWZGIVRRZCXQDS-CQSZACIVSA-N 363.866 3.778 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)c1 7504828 AKTIXEZWBAZKRR-LJQANCHMSA-N 352.478 3.728 0 40 FHAB Cc1ccccc1NC(=O)COc1ccc(C(=S)N2CCCC2)cc1 8571339 CMTKDTAZDVFKKL-UHFFFAOYSA-N 354.475 3.784 0 40 FHAB NC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCC2 3079077 INAOXDDOJAAYOW-UHFFFAOYSA-N 355.246 3.895 0 40 FHAB CCn1c(CNC(=O)CCC(=O)c2ccc(C)s2)nc2ccccc21 24641204 UAIPDPLIBUZDBC-UHFFFAOYSA-N 355.463 3.705 0 40 FHAB CC(=O)Nc1ccc(O)c(C(=O)N(C)Cc2ccccc2C(F)(F)F)c1 55190227 FSTCDXWWXWCDRS-UHFFFAOYSA-N 366.339 3.642 0 40 FHAB O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccccc2Cl)CC1 24760473 LKBHNYLRGKRIEG-UHFFFAOYSA-N 363.244 3.592 0 40 FHAB CNC(=O)c1ccc(CN(C)C(=O)c2ccc(-c3ccccc3)nc2C)cc1 24968517 LMUMGOWUCFKERT-UHFFFAOYSA-N 373.456 3.689 0 40 FHAB CC[C@@H](NC(=O)/C=C(\C)C1CC1)c1ccccc1OCC(=O)N1CCCC1 55596135 LYXJGASEQRUKKW-JRJUITNWSA-N 370.493 3.611 0 40 FHAB C[C@@H](CNC(=O)CCc1ccc(Cl)nc1)Oc1ccc(Cl)cc1 95452122 ZDNIJAOKZCSPHM-LBPRGKRZSA-N 353.249 3.905 0 40 FHAB C[C@H]1c2ccsc2CCN1C(=O)NCCCn1cnc2ccccc21 43857408 JIAKWXNBFQHEIH-AWEZNQCLSA-N 354.479 3.817 0 40 FHAB CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)cc1 103718137 QVHQNEPNYVIQRI-MRXNPFEDSA-N 352.434 3.775 0 40 FHAB C[C@H](CC(=O)Nc1ccc(CC(N)=O)cc1)c1ccc(C(F)(F)F)cc1 57387251 CHCOCRDARFQZFX-GFCCVEGCSA-N 364.367 3.866 0 40 FHAB CCOc1ccc(CN(C)Cn2cc(C)n(-c3ccccc3F)c2=O)cc1 58055630 MVKWDJVWRRLCMA-UHFFFAOYSA-N 369.440 3.575 0 40 FHAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1nc2ccccc2[nH]1 21743342 KFBZFHFFFAXFEQ-UHFFFAOYSA-N 357.797 3.559 0 40 FHAB CCCCn1nc(C)c(C(=O)Nc2cc(C(=O)OC)ccc2F)c1Cl 12770545 GBKAVUMJFJVQHQ-UHFFFAOYSA-N 367.808 3.823 0 40 FHAB CCn1nnc2cc(C(=O)NCc3cc(C)cc4c(C)c(C)[nH]c34)ccc21 58412398 GKJHJBPRTSVQMH-UHFFFAOYSA-N 361.449 3.788 0 40 FHAB CCCC(=O)Nc1c(-c2ccc(OC)cc2)c(=O)c2ccccc2n1C 2218312 ZLQSLODYVJXPSC-UHFFFAOYSA-N 350.418 3.953 0 40 FHAB O=S(=O)(NCc1ccccc1F)c1ccc(Cl)c(C(F)(F)F)c1 3343749 UBRVCNXRODGWOE-UHFFFAOYSA-N 367.751 3.976 0 40 FHAB O=C(NCc1cccc(=O)[nH]1)c1cc(-c2ccccc2)nc2ccccc12 95464526 OHKRDTNGIPUWGN-UHFFFAOYSA-N 355.397 3.520 0 40 FHAB O[C@@H](COc1ccc(Cl)cc1)CN(Cc1ccco1)Cc1ccco1 28580899 YVFLFUQPHJSYKC-MRXNPFEDSA-N 361.825 3.968 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1F 55577198 UXFGXLJHRNBBDQ-UHFFFAOYSA-N 359.426 3.737 0 40 FHAB Cc1cccc(-c2nnc(SCC(=O)Nc3cc(F)ccc3C)n2C)c1 21991208 UGMAOQFMXLPBDZ-UHFFFAOYSA-N 370.453 3.969 0 40 FHAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1N1CCCC1=O 11360245 VHKOYOZFTFVRPE-UHFFFAOYSA-N 358.825 3.793 0 40 FHAB Cc1ccc(C)c(N2N=C(C(=O)N(Cc3ccco3)C3CC3)CCC2=O)c1 29011070 GIQMVDNYOPGWMY-UHFFFAOYSA-N 365.433 3.570 0 40 FHAB Cc1ccc(S(=O)(=O)NCCSCc2ccccc2)c(Cl)c1 25369360 PSEUTHFWXMZCRP-UHFFFAOYSA-N 355.912 3.860 0 40 FHAB Fc1cccc(Br)c1[C@H]1C[C@H](c2cccnc2)Nc2ncnn21 2500133 QTNPNNZEDCPQJI-ZIAGYGMSSA-N 374.217 3.721 0 40 FHAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc(F)cc1 3433076 VTSFCUMOYOYGRG-UHFFFAOYSA-N 370.207 3.648 0 40 FHAB COc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccn4)nc32)cc1 9061197 YIUCFEFCHGLXSF-UHFFFAOYSA-N 370.416 3.756 0 40 FHAB CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2)CC1 4109463 BUQHWZCLTCMAOS-UHFFFAOYSA-N 365.477 3.696 0 40 FHAB CCOc1ccc(-c2cc(C(=O)Nc3nccs3)no2)cc1OCC 13726882 VRCCOARJBQDSOE-UHFFFAOYSA-N 359.407 3.848 0 40 FHAB CCN(CC)CCOCCN(Cc1ccccc1)Cc1nnc(C(C)C)o1 96010187 PMHOTAKJSLIZCL-UHFFFAOYSA-N 374.529 3.554 0 40 FHAB CC(=O)c1cccc(OCCCC(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)c1 72303570 YZKJBVAGIQWLEH-ZDUSSCGKSA-N 373.453 3.606 0 40 FHAB Cc1ccccc1N1C[C@H](C(=O)Oc2ccc(Br)cc2)CC1=O 4610664 KQJVNIFRQYKMMO-CYBMUJFWSA-N 374.234 3.716 0 40 FHAB CCC(CC)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccc(OC)cc1 5642656 REPAKQAIRXRIDC-MRXNPFEDSA-N 361.467 3.733 0 40 FHAB COC(=O)c1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2cc(C)cc(C)c2)C(=O)N1 4852876 LWBUJUNMUGSLDL-DYESRHJHSA-N 366.417 3.860 0 40 FHAB CCCN(C(=O)c1ccc(C2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 6880260 KGBDLWXTKQRPRE-IBGZPJMESA-N 363.523 3.774 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCC(=O)c1cccs1 6943038 RHXWSNNNHPHYII-ZHACJKMWSA-N 366.442 3.990 0 40 FHAB Cc1cccc(NC(=O)NC(=O)CN2CCCSc3ccccc32)c1C 9470348 MVYBCHLMCHKKLT-UHFFFAOYSA-N 369.490 3.954 0 40 FHAB C[C@@H](OC(=O)c1c(F)cccc1F)C(=O)N[C@H]1CCCc2ccccc21 7180524 VSPHQQHHWPGCLT-PXAZEXFGSA-N 359.372 3.704 0 40 FHAB Cc1ccc(OCC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1C 15860042 QTARATLWHMLJBN-IBGZPJMESA-N 356.466 3.619 0 40 FHAB CC(C)(C)OC(=O)N1CCc2ncc(NC(=O)c3cccs3)cc2C1 91064285 YQXRNCALRVIEMK-UHFFFAOYSA-N 359.451 3.689 0 40 FHAB COc1cc(CN(C)C(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1O 83862065 IVGGBIWXEDWGAD-UHFFFAOYSA-N 357.303 3.831 0 40 FHAB Cc1ccc2nc(CN[C@H](C)c3cccc(C(F)(F)F)c3)cc(=O)n2c1 9690237 CSPQXDHGMDZPOP-CYBMUJFWSA-N 361.367 3.873 0 40 FHAB CCCCN(CCCO)C(=O)c1cccc(NC(=O)C2CCCCC2)c1 95461622 OBRRHVUYHWFHAJ-UHFFFAOYSA-N 360.498 3.830 0 40 FHAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCOCC12CCCC2 95447561 IBUBFVNBFAVSRB-UHFFFAOYSA-N 374.481 3.967 0 40 FHAB C[C@H]1CN(C(C)(C)CNC(=O)c2cc(Cl)sc2Cl)C[C@@H](C)O1 21058350 GRYMIBSKCIVZBF-AOOOYVTPSA-N 365.326 3.673 0 40 FHAB Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2c[nH]c3cccnc23)C1 548419377 FRJZVPYHRKPGPU-AWEZNQCLSA-N 368.868 3.781 0 40 FHAB COc1ccc(CC(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)cc1F 37203344 QGYHDMQNXCSOPS-PXNSSMCTSA-N 368.452 3.520 0 40 FHAB CS(=O)(=O)c1ccc(C(=O)NC2CCC(c3ccccc3)CC2)cc1 25098387 IQXQHDMOMXHGFU-UHFFFAOYSA-N 357.475 3.546 0 40 FHAB CC(C)Oc1ccccc1CNC(=O)C(=O)NC1CCC(C(C)(C)C)CC1 408710339 YCTDPKMUCAHWPL-UHFFFAOYSA-N 374.525 3.811 0 40 FHAB Cc1[nH]c2ccc(CNC(=O)N3CC(C)(C)[C@@H]3c3nccn3C)cc2c1C 521556563 YLAKIBPWQJGJAY-SFHVURJKSA-N 365.481 3.811 0 40 FHAB O=C(c1cnc2c(F)ccc(F)c2c1)N1CCC(C2CCOCC2)CC1 551904211 QUAMQRGUJZZJQJ-UHFFFAOYSA-N 360.404 3.792 0 40 FHAB COc1cc(C)nc(COc2c(NC(C)=O)c3cccc(C)c3n2C)c1 551981432 YIGORSIPJDROEX-UHFFFAOYSA-N 353.422 3.736 0 40 FHAB CSc1ccccc1NC(=O)[C@H](C)Cn1nc(-c2ccco2)ccc1=O 61984078 GSNHDKHKDCKVAJ-CYBMUJFWSA-N 369.446 3.500 0 40 FHAB CCc1ccc(NC(=O)C[C@H]2C(=O)N(C3CC3)c3nc4ccccc4n32)cc1 39964091 MEESUWLICAQETI-IBGZPJMESA-N 374.444 3.678 0 40 FHAB CCOc1ccc(NC(=S)NCc2ccc(OC)c(OCC)c2)cc1 225770165 WRYDMMAWOWDLOQ-UHFFFAOYSA-N 360.479 3.979 0 40 FHAB CC[C@H](Oc1ccccc1OC)C(=O)NCCOc1ccc(C)c(C)c1 224614508 CLZFLSQYEQHEPZ-SFHVURJKSA-N 357.450 3.665 0 40 FHAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1F 224111098 PRTNMEYUPLUUFD-QGZVFWFLSA-N 370.468 3.558 0 40 FHAB CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(C)=O 223540087 VXGMRGWNEYEXOE-OAQYLSRUSA-N 368.477 3.701 0 40 FHAB CCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCc1ccc(Cl)cc1 222748626 NRWDHSQWXXYRFY-OAHLLOKOSA-N 358.869 3.784 0 40 FHAB COc1ccc(OC)c(/C=C/C(=O)NCc2ccsc2-n2cccc2)c1 40155036 HGERWTOGSYPAFA-VMPITWQZSA-N 368.458 3.886 0 40 FHAB COCCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2ccccc21 85877890 LFOWBFBGLMRIJH-UHFFFAOYSA-N 361.445 3.742 0 40 FHAB biogenic COc1cc(N2CCCCC2)nc(NC(=S)N[C@@H](C)c2ccccc2)n1 225957131 CISXMYHNXORXGB-AWEZNQCLSA-N 371.510 3.523 0 40 FHAB O=C(c1ccccc1F)N1CC(Oc2nc3c(Cl)cccc3s2)C1 77101022 XRAQAGHTUBMARN-UHFFFAOYSA-N 362.813 3.992 0 40 FHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 222798058 BCDPDKNCOCTGHU-RBUKOAKNSA-N 364.474 3.570 0 40 FHAB CCc1cccc(NC(=O)N2CC[C@@]3(C[C@@H]3C(=O)Nc3cccnc3)C2)c1 96226895 UZQNQMCXYJPQAZ-WIYYLYMNSA-N 364.449 3.527 0 40 FHAB Cc1nc(CN2[C@H](c3ccccc3F)C[C@H]3NC(=O)CCCC[C@@H]32)cs1 257335759 YLSVTAKLRNCQDR-QYZOEREBSA-N 373.497 3.965 0 40 FHAB CCCn1nccc1-c1nccnc1C[C@H]1CCCN(C(=O)C(C)(C)C)C1 257232378 GKPSXPHYOPTDPS-MRXNPFEDSA-N 369.513 3.577 0 40 FHAB COc1ccc(CCNC(=O)NCc2sc(-c3ccco3)nc2C)cc1 90593462 ZGXHXHNCKAGRTC-UHFFFAOYSA-N 371.462 3.762 0 40 FHAB Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cnn(-c3cccnc3)c2)o1 675257515 LSETVGFRPQUIFA-KDOFPFPSSA-N 350.422 3.782 0 40 FHAB CC(C)C[C@@H](C)CC(=O)N1CCC[C@](C)(CNC(=O)C2(CF)CC2)C1 1775989235 HTLBFKUDNFNAHY-VQIMIIECSA-N 354.510 3.553 0 40 FHAB Cc1cccc(Nc2cc([C@H]3CCCN(Cc4cncn4C)C3)ccn2)n1 585182508 QONLNQAFBPFHII-SFHVURJKSA-N 362.481 3.642 0 40 FHAB Cc1ccc2cc(CNC(=O)c3oc4c(c3C)C(=O)CCC4)c(O)nc2c1 585295126 MRBRMYWQEXVMDB-UHFFFAOYSA-N 364.401 3.599 0 40 FHAB Cc1ccc(CN2CC3(C[C@@H](OCC4CCOCC4)CS3)C2)s1 585103379 AVHRHJFSLLSLKV-MRXNPFEDSA-N 353.553 3.560 0 40 FHAB CN(Cc1nnsc1Cl)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 52638603 KOGVMNVBQASQFP-NWDGAFQWSA-N 364.685 3.588 0 40 FHAB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1 5262215 BKROSFSZHHPGHW-ZDUSSCGKSA-N 362.857 3.816 0 40 FHAB O=C(Cc1ccc2c(c1)OCCO2)NCc1ccc(Cl)cc1Cl 5443420 AHQCQJWTCDNKOY-UHFFFAOYSA-N 352.217 3.624 0 40 FHAB O=C(N1CCCC1)C1(Cc2ccccc2-c2ccncc2)CCOCC1 12134084 ZGITUBDCJRNBOX-UHFFFAOYSA-N 350.462 3.710 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c1 13669942 BUENYOVHLUEKTJ-DHZHZOJOSA-N 369.417 3.841 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC)cc1 15608551 GTKMMXCRCKTGFK-GOFCXVBSSA-N 352.434 3.875 0 40 FHAB Cc1ccc(NC(=O)NCCCN(C)C(=O)Nc2ccc(C)cc2)cc1 16293090 BVWCFLYHPJWTTJ-UHFFFAOYSA-N 354.454 3.979 0 40 FHAB O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1cccc(Cl)c1 18220058 DCAFVMCJKGBCHI-UHFFFAOYSA-N 371.849 3.821 0 40 FHAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCCC[C@H]2CN2CCCCCC2)n1 19572891 ZIPBHABVJLPPRW-PMACEKPBSA-N 360.546 3.708 0 40 FHAB Cn1cc(NC(=O)N2CCOCC3(CCCC3)C2)c(-c2ccccc2)n1 681449047 ITOYYMNTMXFPCJ-UHFFFAOYSA-N 354.454 3.512 0 40 FHAB O=C(c1ccn(-c2ccccc2Cl)n1)N1CC(COc2ccccc2)C1 585083302 PEVJOGXJGLMWBX-UHFFFAOYSA-N 367.836 3.677 0 40 FHAB CC1=C(C(=O)Nc2cc(C)on2)[C@@H](c2ccccc2Cl)N(C)C(=O)N1C 10353541 HPQAOEJXSVEWTJ-MRXNPFEDSA-N 374.828 3.587 0 40 FHAB CCc1ccc(CCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 10328069 VBFJVVWJJNAPKU-UHFFFAOYSA-N 363.461 3.618 0 40 FHAB CCOC(=O)c1c(Nc2nc3ccccc3[nH]c2=O)sc2c1CCCC2 12311345 JDKULSRFOLNNPB-UHFFFAOYSA-N 369.446 3.784 0 40 FHAB C[C@H](c1ccccc1)N1CCC(Oc2ncc(Br)cn2)CC1 1888859946 ZODJGDRPVBQVKM-CYBMUJFWSA-N 362.271 3.844 0 40 FHAB COc1ccc(-n2nc3c(c2NC(=O)Cc2ccccc2)CSC3)cc1 3892403 DQEPLYHPEMPXQI-UHFFFAOYSA-N 365.458 3.809 0 40 FHAB C[C@@H](c1ccccc1)n1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O 4165932 FWIXDZZFGBCBAT-ZDUSSCGKSA-N 350.809 3.845 0 40 FHAB O=C(Oc1coc(CSc2ncccn2)cc1=O)c1cccc(Cl)c1 4377251 WCYXTVWOILNSLT-UHFFFAOYSA-N 374.805 3.595 0 40 FHAB O=C(CSc1nc(-c2ccccc2)c(NC(=O)C2CC2)s1)NC1CC1 12442984 NXTWQGHEAZLNTJ-UHFFFAOYSA-N 373.503 3.529 0 40 FHAB Cc1cccc(NC(=O)Cn2cnc3c(sc4cccc(F)c43)c2=O)c1 17135384 ZONJBCGFNMGJOW-UHFFFAOYSA-N 367.405 3.697 0 40 FHAB O=C(N[C@@H]1CCN(c2nccs2)C1)c1ccc(-c2ccsc2)cc1 206810711 DNVOVEFYQMOADS-MRXNPFEDSA-N 355.488 3.880 0 40 FHAB C[C@@H](NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)c1ccncc1 40115842 XZAHULBECMOFCL-ZBFHGGJFSA-N 366.490 3.785 0 40 FHAB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)CN1CCCc2ccccc21 51091723 IIQSENPKILHVQW-SFHVURJKSA-N 366.509 3.585 0 40 FHAB COc1ccc(C[C@@H]2C(=O)Nc3ccc(Br)cc32)c(OC)c1 101014648 JSQKWKBQFOOFPZ-AWEZNQCLSA-N 362.223 3.745 0 40 FHAB CC1=C(c2nc(-c3ccccc3C)no2)[C@@H](c2ccco2)NC(=S)N1 20739173 WGWDOWDNMNJXBF-OAHLLOKOSA-N 352.419 3.588 0 40 FHAB O=C(NCCC(=O)N1CCCC1)[C@H](Sc1ccccc1)c1ccccc1 32721349 IHDHQYBDYGEMSB-HXUWFJFHSA-N 368.502 3.649 0 40 FHAB CCOc1cc2ccccc2cc1C(=O)Nc1ccc(S(C)(=O)=O)cc1 32784651 WKDGIAGNDFCJHE-UHFFFAOYSA-N 369.442 3.894 0 40 FHAB COc1ccc(Nc2nc(C)c3ncn(-c4ccc(OC)cc4)c3n2)cc1 21777009 OCMKAPNWZBEBQP-UHFFFAOYSA-N 361.405 3.885 0 40 FHAB O=C(NCc1ccnc(OCc2ccccc2)c1)c1ccc(F)cc1F 32930393 UZHBUAHPVOTOOT-UHFFFAOYSA-N 354.356 3.869 0 40 FHAB CN(Cc1ccc(Br)cc1)C(=O)c1ccn(-c2ccccc2)n1 32914001 MSAZXUAMSYUEHK-UHFFFAOYSA-N 370.250 3.907 0 40 FHAB CC(C)Oc1ccc([C@@H]2CC(=O)N(c3ccc(N(C)C)cc3)C2=O)cc1 862703 NDINWXVMPVJSLN-IBGZPJMESA-N 352.434 3.587 0 40 FHAB CCN(CC)c1ncn(Cc2c(Cl)cccc2Cl)c2ncnc1-2 1084100 CKIKNERKNNTMPA-UHFFFAOYSA-N 350.253 3.979 0 40 FHAB Cc1cc(Cl)cc2c1NC(=O)[C@]2(O)[C@@H](C)C(=O)c1ccc(Cl)cc1 1624382 PQRBZIDVWQNJIV-YPMLDQLKSA-N 364.228 3.961 0 40 FHAB Cc1nc2sc3c(c2c2nc(-c4ccccc4C(=O)O)nn12)CCCC3 2226856 QUZRRPCAMPNNAV-UHFFFAOYSA-N 364.430 3.891 0 40 FHAB CCN(CC)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 2532852 OKRKODCRISDLLB-UHFFFAOYSA-N 366.490 3.895 0 40 FHAB C[C@H](Sc1nnc2ccccn12)C(=O)c1ccc(Br)cc1 2620378 PARSKVYBKGZRTH-JTQLQIEISA-N 362.252 3.855 0 40 FHAB COc1cc(/C=C/C(=O)OCc2c(C)noc2C)ccc1OC(F)F 3289004 GNMJUQYERWLERH-FNORWQNLSA-N 353.321 3.658 0 40 FHAB COc1ccc(NC(=S)N(C)CCc2ccc(OC)c(OC)c2)cc1 3301797 IMYXVZWRRCWJFI-UHFFFAOYSA-N 360.479 3.584 0 40 FHAB Cc1nnc(SCc2nnc(-c3ccccc3Br)o2)s1 3389160 XUMXSLWKJTVXFN-UHFFFAOYSA-N 369.269 3.951 0 40 FHAB COc1cc(OC)c([C@@H]2NCc3ccccc3-n3cccc32)cc1OC 4188226 LAQJUHMDPHSQLP-NRFANRHFSA-N 350.418 3.696 0 40 FHAB COc1cn(-c2ccccc2)nc1C(=O)OCCCC(=O)c1cccs1 5150271 OYFNMOILITZFRT-UHFFFAOYSA-N 370.430 3.762 0 40 FHAB Cc1ccc(-c2ccc(SCC(=O)Nc3cc(C)on3)nn2)c(C)c1 5411032 PUKALSZIXOSEPD-UHFFFAOYSA-N 354.435 3.788 0 40 FHAB COC(=O)c1ccccc1[C@H]1CN=N[C@@]12Cc1ccc3c(c1C2=O)CCC3 5539834 BOTBPMPLRZLKRF-GCJKJVERSA-N 360.413 3.689 0 40 FHAB Cn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccco1 5864533 NUSPPCABZALPBJ-UHFFFAOYSA-N 364.430 3.959 0 40 FHAB O=C(COC(=O)c1csc2c1CCCC2)NCCCc1ccccc1 5968761 RHTIJLFRVHLZKF-UHFFFAOYSA-N 357.475 3.533 0 40 FHAB CCOc1ccc(C(C)=O)cc1CSc1nnc2nc(C)cc(C)n12 6326115 GYIAGQVMMVPVGE-UHFFFAOYSA-N 356.451 3.635 0 40 FHAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)N1CCCCCC1 6884221 XEDNGEJCAGXLMH-UHFFFAOYSA-N 364.445 3.619 0 40 FHAB CCOc1ccccc1N1C[C@@H](C(=O)Oc2c(C)cccc2C)CC1=O 7657860 WABOCRBRJSGJFG-INIZCTEOSA-N 353.418 3.661 0 40 FHAB O=c1c2c3c(sc2ncn1Cc1cn2cc(Cl)ccc2n1)CCCC3 7675835 NYIOQJGTGHZNCZ-UHFFFAOYSA-N 370.865 3.686 0 40 FHAB Cc1ccc(NC(=O)CN(C)Cc2ccsc2)cc1Br 7927101 QLNMKEBOZHPKIH-UHFFFAOYSA-N 353.285 3.890 0 40 FHAB COc1cc(Br)c(CC(=O)Nc2cccc(F)c2)cc1OC 7940285 RLWFWDRZYKSURB-UHFFFAOYSA-N 368.202 3.787 0 40 FHAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCc1ccccc1F 8246687 FQAMVGJBCHYJKU-UHFFFAOYSA-N 359.788 3.778 0 40 FHAB Fc1ccc(OCc2nc(Cn3nnc(-c4ccccc4)n3)cs2)cc1 8340889 VSWIDAMVQUEBKI-UHFFFAOYSA-N 367.409 3.563 0 40 FHAB C[C@H](OC(=O)Cc1cccs1)C(=O)Nc1ccc(OC(F)(F)F)cc1 8447638 DZKNQYPISGEQSA-JTQLQIEISA-N 373.352 3.760 0 40 FHAB O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 9059985 UFCSXUARUQLKTR-INIZCTEOSA-N 361.854 3.742 0 40 FHAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(F)cc1Cl 9709936 LEYNKJTUJQJNJY-UHFFFAOYSA-N 357.776 3.720 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)NCc1ccccc1OC(F)F 10275232 KKIIHUGURVELGS-LBPRGKRZSA-N 350.365 3.857 0 40 FHAB C[C@H](Sc1ncnc2sccc12)C(=O)Nc1ccc(N(C)C)cc1 12534481 BFHNVZSKQPHFAL-NSHDSACASA-N 358.492 3.877 0 40 FHAB CCc1ccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)CCN3C(C)=O)cc1 12556295 XMQURAWWZIOPKW-CQSZACIVSA-N 351.450 3.597 0 40 FHAB C[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccc(F)c(F)c1 12753815 FMTDDLWTGMEHDV-CYBMUJFWSA-N 358.388 3.512 0 40 FHAB O=C(Nc1ccc(N2CCc3sccc3C2)nc1)c1cccnc1S 12851330 ISAPPHRQQDNQBF-UHFFFAOYSA-N 368.487 3.642 0 40 FHAB CN(Cc1cccc(F)c1)C(=O)NCc1cccc(NC(=O)C2CC2)c1 12879661 KREYWUXFPGLSJZ-UHFFFAOYSA-N 355.413 3.516 0 40 FHAB CCCCN(CC)C(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 12921205 PQAUGGRAZIEPRH-UHFFFAOYSA-N 364.445 3.745 0 40 FHAB COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccccc2F)s1 13000720 WPTFSKHJBAJVAQ-HNNXBMFYSA-N 362.451 3.520 0 40 FHAB C[C@@H]1CCCN(c2ncnc3c2oc2nc4c(cc23)COC(C)(C)C4)C1 13135640 KJKRGRJHJNDBQM-GFCCVEGCSA-N 352.438 3.859 0 40 FHAB CC(C)N1CCC(NC(=O)c2cc3c(s2)-c2ccccc2OC3)CC1 14013781 HDPLLIKWHQVKRA-UHFFFAOYSA-N 356.491 3.910 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(C)c1 14396973 MOEOOQKUDBTBSH-HZPDHXFCSA-N 354.450 3.929 0 40 FHAB COc1ccc([C@@H]2CCCN2CC(=O)N(C)Cc2ccccc2C)cc1 16339216 KSOONMPBDVQXJE-NRFANRHFSA-N 352.478 3.799 0 40 FHAB CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(CC)cc3)cc21 16837554 JKLVEMSAJBQHBO-UHFFFAOYSA-N 372.490 3.739 0 40 FHAB CCCCCNc1ccc(S(=O)(=O)Cc2ccc(Cl)cc2)nn1 16843368 OTQUHWCILVPERD-UHFFFAOYSA-N 353.875 3.706 0 40 FHAB CCOc1cccc(C(=O)NC(=S)Nc2nc3ccc(O)cc3s2)c1 17076456 OVEIRGBDGLNBOM-UHFFFAOYSA-N 373.459 3.527 0 40 FHAB C[C@@H](CC(=O)N1CCC(c2noc3cc(F)ccc23)CC1)n1cccn1 19455124 JJJHSJNJAKTKAL-ZDUSSCGKSA-N 356.401 3.521 0 40 FHAB CCN1c2ccc(-c3cncn3CCc3c(C)nn(C)c3C)cc2C[C@H]1C 19719454 HINKKLRDFAHFER-OAHLLOKOSA-N 363.509 3.914 0 40 FHAB Cc1cc(NC(=S)NC(=O)c2cccs2)ccc1-c1ccc(CO)o1 20152364 CUCQDGLBFMMWKA-UHFFFAOYSA-N 372.471 3.936 0 40 FHAB C[C@@H]1CCN(C(=O)c2cnn(-c3ccccc3)n2)c2ccccc2S1 24585215 RBPUOVVPAGZVML-CQSZACIVSA-N 350.447 3.798 0 40 FHAB O=C(Cc1csc(-c2ccccn2)n1)Nc1cccc(-c2ccn[nH]2)c1 24887824 PQDCOYDMPMZJEV-UHFFFAOYSA-N 361.430 3.776 0 40 FHAB CC[C@@H](C)N(Cc1ccccc1)C(=O)CCNC(=O)c1cccc(C)c1 24985917 RHEJWQAWEUZEKT-GOSISDBHSA-N 352.478 3.942 0 40 FHAB COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)c1 26357511 VPLTVCUZZIDCRP-OAHLLOKOSA-N 367.492 3.600 0 40 FHAB COc1ccc(OC)c(CNC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)c1 26399877 XENJEIYHBPZWKS-UHFFFAOYSA-N 371.824 3.677 0 40 FHAB Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)NCc1ccc(F)cc1 28236938 XBNARFGLNYABFI-SECBINFHSA-N 363.742 3.880 0 40 FHAB Cn1c(SCc2ccccc2)nnc(Nc2ccc(Cl)cc2)c1=O 28526888 OMHZLQRXOXOHCH-UHFFFAOYSA-N 358.854 3.865 0 40 FHAB Cc1cccc(-c2nc(CSc3nnc(-c4cccnc4)o3)no2)c1 32324608 FOYZOQLIPGNHBS-UHFFFAOYSA-N 351.391 3.782 0 40 FHAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CCc1nc(-c2cccnc2)no1 32824733 GWGDUPJNAVNVET-GFCCVEGCSA-N 372.375 3.562 0 40 FHAB Cc1ccc(C(=O)C2CCN(CCC(=O)Nc3cc(C)on3)CC2)c(C)c1 32825547 OSTJJCMAXMYQFI-UHFFFAOYSA-N 369.465 3.523 0 40 FHAB Cc1nc2sc([C@@H](c3cccs3)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 33689375 DUJNAGSMLZWJSU-COPLHBTASA-N 362.524 3.934 0 40 FHAB C[C@@H](C(=O)Nc1ccc(F)cc1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 37224335 GXTXENCFAPEGQS-HOTGVXAUSA-N 369.440 3.503 0 40 FHAB COc1cc(C(=O)NCc2cccc(COC(C)C)c2)cc(OC)c1C 40122279 RVMSCQYPIIVUQG-UHFFFAOYSA-N 357.450 3.867 0 40 FHAB COc1ccccc1N1CCN(C(=O)c2[nH]c3ccccc3c2Cl)CC1 40142866 ZQAYQTLSDJALOV-UHFFFAOYSA-N 369.852 3.792 0 40 FHAB O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1cnn2cccnc12 45086592 BXORMAURTDFFFY-UHFFFAOYSA-N 362.364 3.700 0 40 FHAB CC(C)NC(=O)CSc1ccccc1C(=O)N1CCc2ccccc21 45670689 YQEFBTYTYRYETF-UHFFFAOYSA-N 354.475 3.506 0 40 FHAB Cc1c(-c2nc3ccccc3s2)cccc1N1C[C@@H](C(=O)O)CC1=O 45886828 TXQQZQSOCXVNGR-LBPRGKRZSA-N 352.415 3.709 0 40 FHAB Cc1ncsc1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1Cl 48235727 FUVZSECAMBWBOZ-CQSZACIVSA-N 366.870 3.918 0 40 FHAB COc1ccc(CCNC(=O)CCc2ncc(-c3ccccc3)o2)cc1 48253037 ALKXELSJXTXIML-UHFFFAOYSA-N 350.418 3.642 0 40 FHAB CCCOc1ccc(CNC(=O)c2snc(-c3ccccn3)c2N)cc1 49007851 KGJRXNIFWCPDPQ-UHFFFAOYSA-N 368.462 3.506 0 40 FHAB Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)C[C@@H]1CCCO1 55594115 YWZLFQOGSBFIPD-DAYGRLMNSA-N 358.482 3.621 0 40 FHAB Cc1cccc(OCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1C 56173151 GHMMTLIPOJNMEI-UHFFFAOYSA-N 354.450 3.849 0 40 FHAB CSc1ncc(Cl)c(C(=O)NCCCCOc2ccc(C)cc2)n1 58050696 CKTHUGSFEPTUQG-UHFFFAOYSA-N 365.886 3.749 0 40 FHAB O=C1Nc2ccccc2[C@@]12CCN[C@@H]2c1ccc(F)c(Br)c1 61718188 VECHMBSCRWVRIG-NVXWUHKLSA-N 361.214 3.513 0 40 FHAB Cc1nc2ccc(NC(=O)C(=O)N[C@H](C)c3cc4ccccc4o3)cc2o1 61958280 VWGNQWUWUVLWCS-LLVKDONJSA-N 363.373 3.698 0 40 FHAB CCCc1nc(C(C)(C)NC(=O)c2sc(-c3ccccn3)nc2C)no1 65429639 OGYGVEUKPFUDGY-UHFFFAOYSA-N 371.466 3.514 0 40 FHAB CN(C(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 65861319 IKFQWHVJCOMJRE-UHFFFAOYSA-N 374.506 3.657 0 40 FHAB O=C(NCc1ccc(F)cc1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 67013449 ZDIHTYWFJOQGDS-QGZVFWFLSA-N 366.795 3.901 0 40 FHAB CN(CCc1ccccn1)C(=O)/C=C/c1ccc2ccc(Cl)cc2n1 67264466 WLPHLZOWAAGVRS-MDZDMXLPSA-N 351.837 3.998 0 40 FHAB NC(=O)NCc1ccc(C(=O)Oc2ccc3oc4c(c3c2)CCCC4)cc1 69059820 GLEIYOMCAPROID-UHFFFAOYSA-N 364.401 3.699 0 40 FHAB Cc1nc(-c2cccc(NC(=O)Cc3ccccc3C(=O)O)c2)cs1 71285128 PKYHDUHTRWBOKS-UHFFFAOYSA-N 352.415 3.998 0 40 FHAB CCn1nc(C)cc1-c1nn2c(Cc3ccccc3Cl)nnc2s1 71287018 YEMJJGCPYJVTFE-UHFFFAOYSA-N 358.858 3.622 0 40 FHAB N[C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 72227959 NEAYWWIENOCPQR-KBPBESRZSA-N 351.631 3.518 0 40 FHAB Cc1cccc(Nc2cccc([C@H]3CCCN3Cc3cn(C)nc3C)n2)n1 72375346 BQVYDXPYELVUPF-LJQANCHMSA-N 362.481 3.908 0 40 FHAB O=C(c1ccccn1)N1CCC[C@@H]1c1cncc(Oc2ccc(F)cc2)n1 72383863 CAMCBGKIUIHKFF-GOSISDBHSA-N 364.380 3.780 0 40 FHAB CC(C)c1n[nH]c(-c2nn3c(C4CCC4)nnc3s2)c1Br 72403060 LCXCCLMTTXOVCF-UHFFFAOYSA-N 367.276 3.729 0 40 FHAB Cc1cnn(CC(=O)N2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)c1 74072301 JCCIZVAHISHQNQ-KRWDZBQOSA-N 365.481 3.528 0 40 FHAB CCC[C@H]1[C@@H](C)CCCN1c1ncnc2c1c(Br)nn2C 79017582 KEHZNJCYPMHRAC-QWRGUYRKSA-N 352.280 3.531 0 40 FHAB CC(=O)N1CCC(CCC(=O)Nc2cnccc2Oc2ccccc2)CC1 79849227 IXCVONVJDVOBQH-UHFFFAOYSA-N 367.449 3.851 0 40 FHAB O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)N[C@H]1CCCCC[C@@H]1CO 84335111 QSSUSIPINAEHPN-DYVFJYSZSA-N 367.440 3.628 0 40 FHAB CC(=O)c1cccc(NC(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)c1 89331491 XQLQHWAAYUZXLW-QGZVFWFLSA-N 367.453 3.576 0 40 FHAB COc1cccc([C@@H](N)c2nc(COc3ccc(C(C)(C)C)cc3)n[nH]2)c1 95533610 VOVXLRXWHDFJSN-LJQANCHMSA-N 366.465 3.738 0 40 FHAB Nc1nc(=O)[nH]c(-c2cccc3ccccc23)c1C(=S)Nc1ccccc1 95619083 JXYDKDOETLESKA-UHFFFAOYSA-N 372.453 3.960 0 40 FHAB O=C(c1cccs1)N1CCC2(CCC(=O)N2Cc2ccccc2)CC1 96049428 BDTKMBBOASLADS-UHFFFAOYSA-N 354.475 3.546 0 40 FHAB O=C(NCc1cc(C2CC2)n(C2CCCC2)n1)Nc1ccc2c(c1)OCO2 96104115 AAMCGDAWDLLDRY-UHFFFAOYSA-N 368.437 3.926 0 40 FHAB O=C(Nc1cccc(F)c1)[C@H]1C[C@@]12CCN(C(=O)Nc1ccc(F)cc1)C2 96227229 NUAYAEQATSKKPW-YLJYHZDGSA-N 371.387 3.847 0 40 FHAB OC1(c2ccccn2)[C@H]2CCC[C@H]1CN(Cc1ccc3ncccc3c1)C2 100148857 RYGJNFXXWXQHMM-PMACEKPBSA-N 359.473 3.750 0 40 FHAB CC1(C)[C@H]2CC[C@@]1(C)c1nc(SCC(=O)Nc3ccc(F)cc3)nnc12 100265463 CLIQVSCEPAGLMN-DJJJIMSYSA-N 372.469 3.916 0 40 FHAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)N5CCN(C)CC5)(C4)C2)C3)cc1 100649914 CMXBQJXVKBWQCN-NAMINWQUSA-N 352.522 3.607 0 40 FHAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccc(O)cc2)C[C@@H](c2ccccc2O)C1 102566897 DXCDFXMMCZNKDJ-ZUOKHONESA-N 374.400 3.755 0 40 FHAB Cc1cccc(N([C@H](C)C(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 220116753 KUTNBYZFCSEQTB-MRXNPFEDSA-N 374.506 3.912 0 40 FHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(c2ccccc2)CC1 223306629 UYHRZBLMGJSHCZ-SFHVURJKSA-N 364.489 3.682 0 40 FHAB COC(=O)c1cccc(NC(=O)COc2ccc3c(c2)CCCC3)c1C 223355777 UTYRYSCFUMLIJI-UHFFFAOYSA-N 353.418 3.678 0 40 FHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)[nH]1 223845756 LWRKNDTUJBESGE-OALUTQOASA-N 364.474 3.909 0 40 FHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCOc1ccccc1Cl 224156777 JHVYBSVYFGZOGG-KRWDZBQOSA-N 363.841 3.701 0 40 FHAB CN(c1ccc(Cl)c(C(=O)O)c1)S(=O)(=O)c1ccc(Cl)cc1 225146358 CNWKVEBMQGURTR-UHFFFAOYSA-N 360.218 3.517 0 40 FHAB COCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cn1 225865191 VGOVHDGPSDAJJW-UHFFFAOYSA-N 354.450 3.947 0 40 FHAB S=C(Nc1nc(Cl)cc(N2CCCCC2)n1)NC1CCCCC1 226009435 IPHXJTGTHDPQFV-UHFFFAOYSA-N 353.923 3.739 0 40 FHAB C[C@H](C(=O)Nc1nc2ccccc2s1)N1C(=O)CCCc2ccccc21 227168828 CGZCFPUHTIEKTK-CYBMUJFWSA-N 365.458 3.993 0 40 FHAB Fc1ccc(F)c(CN2CCC[C@@H](Cc3cncc(-c4ncc[nH]4)n3)C2)c1 257212934 CFMOVGUOYCPGNB-AWEZNQCLSA-N 369.419 3.600 0 40 FHAB CC(C)N(CCO)C(=O)c1ccc2c(c1)C[C@@](C)(Cc1ccccc1F)O2 257267406 MHECYUFHTCWZRU-JOCHJYFZSA-N 371.452 3.605 0 40 FHAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(C(C)(C)C)cc2)C1=O 409011401 GJTFXELKEAQYHK-YGRGUWMTSA-N 361.463 3.972 0 40 FHAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCC(C)C)ccc2C)c1 409383104 ZHRYFMUYAVCENK-UHFFFAOYSA-N 374.506 3.798 0 40 FHAB Cc1nc(CCNC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)c(C)o1 514844252 PJONHVFNXNYBMG-SFHVURJKSA-N 367.453 3.647 0 40 FHAB O=C(NCc1nc(C2CCC(F)(F)CC2)no1)c1ccc2ncccc2c1 575617615 VJFOUYICAIIFMP-UHFFFAOYSA-N 372.375 3.841 0 40 FHAB COc1ccccc1/C=C/CN1CCC(OC)(c2nc(C3CC3)no2)CC1 583615832 AKSSQWLHFAPUNS-FNORWQNLSA-N 369.465 3.607 0 40 FHAB CCN(CC)C(=O)Cc1ccc(NC(=O)N2CCCC(F)(F)CC2)cc1 585123528 FCXGTTYZWFIVDX-UHFFFAOYSA-N 367.440 3.751 0 40 FHAB CC(=O)N1CC2=C(C1=O)[C@H](C1CCCCC1)c1cn(C)c3cccc(c13)N2 604419711 SSHFKPLXQNVSLJ-LJQANCHMSA-N 363.461 3.911 0 40 FHAB C[C@H]1CN(c2ccc(C(=O)Nc3ccc(C(C)(C)C)nc3)cn2)C[C@H](C)O1 1304633701 TYDICWNBMYKYKE-GJZGRUSLSA-N 368.481 3.640 0 40 FHAB CN(c1ccnc(-c2nccs2)n1)[C@@H]1CCCN(Cc2ccccc2)C1 1559130358 FPHRTSODJCPMBX-QGZVFWFLSA-N 365.506 3.701 0 40 FHAB Cc1cccc(CN2CCC(Oc3nccc(C(F)(F)F)n3)CC2)c1 1775975529 JKXNXODEAWPQFR-UHFFFAOYSA-N 351.372 3.847 0 40 FHAB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N2CCOCC2)cc1 1178129 XJAZLSUIUQQYAV-VAWYXSNFSA-N 373.456 3.720 0 40 FHAB COc1ccc([C@H]2C[C@@H](c3ccccc3Cl)Nc3nc(N)nn32)cc1 2381579 IPTGSUCCXCGJAI-JKSUJKDBSA-N 355.829 3.669 0 40 FHAB O=C(COc1cccc(Br)c1)NCCc1ccc(Cl)cc1 2648200 QLLLVKJNZXBCNI-UHFFFAOYSA-N 368.658 3.840 0 40 FHAB C/C=C/C=C/C(=O)Nc1ccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)cc1 3212562 NJEOJZICOJVEDE-MQQKCMAXSA-N 367.357 3.946 0 40 FHAB CCOc1ncccc1C(=O)OCC(=O)Nc1cccc(Cl)c1Cl 3234483 IXTNVWRALMTQME-UHFFFAOYSA-N 369.204 3.583 0 40 FHAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc(OC(F)F)cc2)c1 3555360 CZWOQAVHHBTSCL-UHFFFAOYSA-N 362.376 3.616 0 40 FHAB COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1ccc(F)cc1 3621608 VXOKNTOAAXUCSU-UHFFFAOYSA-N 353.349 3.783 0 40 FHAB CCOC(=O)N1CCN(CCCCOc2ccc(C(C)(C)C)cc2)CC1 4429334 LSKSYTSZWKVWMI-UHFFFAOYSA-N 362.514 3.917 0 40 FHAB Cc1ccc(-n2c(S[C@H]3CCOC3=O)nnc2-c2ccccc2)cc1 4840809 BLCFVYFPSUPXCO-INIZCTEOSA-N 351.431 3.650 0 40 FHAB CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccccc1Br 5120415 CLCNFBSWILXWOB-UHFFFAOYSA-N 374.687 3.923 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)cc1 5136569 KIIYDMJKPDXLDC-UHFFFAOYSA-N 372.490 3.731 0 40 FHAB Cc1ccc(OCCCn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 5182223 IUBNGUGQQGCPSV-CQSZACIVSA-N 369.490 3.755 0 40 FHAB CC1(C)CC2=C(CO1)C(=S)N[C@@H](c1ccccc1)N2C[C@@H]1CCCO1 5477551 PYWQZNPFVSSDSM-MAUKXSAKSA-N 358.507 3.550 0 40 FHAB CCOC(=O)c1oc2cc(O)ccc2c(=O)c1-c1nc2ccccc2s1 5644661 BGVROSSGJXWHMD-UHFFFAOYSA-N 367.382 3.952 0 40 FHAB biogenic Cc1cnc(C(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc23)cn1 5938070 LRXUMPWYLLRRKR-MRXNPFEDSA-N 362.458 3.890 0 40 FHAB C[C@H](Sc1ncnc2sccc12)C(=O)Nc1ccc2c(c1)OCCO2 6115433 RAZDRGADNVYASQ-JTQLQIEISA-N 373.459 3.582 0 40 FHAB O=C(COC(=O)c1cc(=O)c2ccccc2o1)c1ccc2c(c1)CCCC2 6423112 IKIARUTYDHQVHC-UHFFFAOYSA-N 362.381 3.712 0 40 FHAB CCCCN1C(=O)S[C@@H](Cc2cc(OC)c(OC)cc2Cl)C1=O 6647599 BFDYJCYHWONESW-AWEZNQCLSA-N 357.859 3.764 0 40 FHAB Cc1[nH]c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2c1C 6670415 MJIALATYOXPPKD-UHFFFAOYSA-N 351.425 3.886 0 40 FHAB CCN(CC)C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 6706752 CAIGESZDHCAMPX-UHFFFAOYSA-N 374.506 3.895 0 40 FHAB CC(C)C[C@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccccc1 7123655 NOYLTQBTFLPHPU-INIZCTEOSA-N 366.383 3.771 0 40 FHAB Cc1cccc(-c2noc(CN(C)C(=O)COc3cc(C)ccc3C)n2)c1 7759491 SGLMOBNJLUOEAL-UHFFFAOYSA-N 365.433 3.699 0 40 FHAB CCOc1ccccc1NC(=O)CN1CCC(Cc2ccccc2)CC1 7788123 DHJGSEYPXSWMHQ-UHFFFAOYSA-N 352.478 3.979 0 40 FHAB O=C1c2ccccc2N[C@H](c2ccc(O)cc2)N1Cc1ccc2c(c1)OCO2 8133517 QGVATQQTHGAMGK-NRFANRHFSA-N 374.396 3.888 0 40 FHAB C[C@@H](OC(=O)c1cccc(O)c1)C(=O)Nc1c(Cl)cccc1Cl 8327344 ABZDHGHKCSNKEA-SECBINFHSA-N 354.189 3.883 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nnc(NC2CC2)s1 8704081 FLCJQYXLXLCOBR-WDEREUQCSA-N 360.508 3.571 0 40 FHAB CCOc1ccc(-c2nn3c(-c4ccc(N(C)C)cc4)nnc3s2)cc1 8706855 WRMUPODKQODQFG-UHFFFAOYSA-N 365.462 3.985 0 40 FHAB Cc1ccc2c(CC(=O)NC[C@@H](c3ccco3)N3CCCC3)coc2c1 9217444 UZKIGPBXJODDAS-SFHVURJKSA-N 352.434 3.830 0 40 FHAB CC(C)[C@@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(F)cc1 9749431 AZKSOJMXLNKRQD-LJQANCHMSA-N 359.832 3.974 0 40 FHAB C[C@H]1Oc2ccccc2N(CCC(=O)Nc2ccc(F)c(Cl)c2)C1=O 10490410 CXAPGJAEUAHLGY-LLVKDONJSA-N 362.788 3.622 0 40 FHAB CCn1c(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)nc2ccccc21 10652072 LZHRRJFAJKYKGN-CYBMUJFWSA-N 355.825 3.899 0 40 FHAB COc1ccc2nc(-c3ccc(OC)c(NC(=O)C4CCCC4)c3)cn2n1 11693435 VJZJIDYVSQHRSQ-UHFFFAOYSA-N 366.421 3.542 0 40 FHAB Cc1cc(NC(=O)c2cc3c(C)nn(C)c3s2)ccc1N1CCCC1=O 11762480 GYBVRRMLCBXUKN-UHFFFAOYSA-N 368.462 3.631 0 40 FHAB COc1ccc(CNC(=O)c2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)cc1 11913905 JUIXHPKYYANCJA-ZDUSSCGKSA-N 364.401 3.604 0 40 FHAB c1cn2c(NC[C@H]3CCCO3)c(-c3ccc(N4CCCC4)cc3)nc2cn1 12113874 AXCRDHOEGWJTAQ-GOSISDBHSA-N 363.465 3.587 0 40 FHAB CCc1nn(C)c(C(=O)N[C@@H](Cc2ccsc2)c2nccs2)c1C 12227131 JWFLTJAVPKLVNJ-AWEZNQCLSA-N 360.508 3.523 0 40 FHAB COc1cccc2ccc(CN3CCC(O)(c4ccc(F)cc4)CC3)nc12 12363570 NPGIDMDOVGPWKF-UHFFFAOYSA-N 366.436 3.866 0 40 FHAB Cc1cc(C(=O)N(Cc2cccnc2)c2nc3ccccc3s2)on1 12422302 FPYXHLJGEJDIFR-UHFFFAOYSA-N 350.403 3.835 0 40 FHAB Cc1ccc(NCc2cc(=O)n3c(C)csc3n2)cc1Br 12527308 POACHIKJBYMJBT-UHFFFAOYSA-N 364.268 3.747 0 40 FHAB Cc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cncn1-c1ccc(F)cc1 12627635 ILEFJAKMHLLELM-CQSZACIVSA-N 367.380 3.504 0 40 FHAB C[C@H]1CN(CCCNC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 12733540 YIHDQEJFWRGHQH-TXEJJXNPSA-N 360.285 3.614 0 40 FHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccccc1Cl 12946701 FOYMDKLHIXQSOZ-AWEZNQCLSA-N 369.856 3.552 0 40 FHAB COc1cccc(/C=C2\SC(=O)N(c3ccc(O)cc3)C2=O)c1OC 13757584 CZFPLYBIBCWALP-GDNBJRDFSA-N 357.387 3.650 0 40 FHAB O=C(Nc1ccc(F)cc1F)N1CCN(c2cccc(Cl)c2)CC1 14095802 AISJBHZWYHEZRW-UHFFFAOYSA-N 351.784 3.972 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)/C=C/c3ccc([C@H]4C[C@H]4C)o3)ccc21 14168993 HRMWNIXCONTECG-YAPKRYGCSA-N 350.418 3.964 0 40 FHAB COc1ccc2c(CC(=O)N(C)CCOc3cccc(C)c3)coc2c1 16148223 MQJPNFSALLPHAY-UHFFFAOYSA-N 353.418 3.830 0 40 FHAB CCCCn1nc(C)c2c(C(=O)Nc3cnn(CC)c3)cc(C3CC3)nc21 17075264 UYTXCRAPGJDICX-UHFFFAOYSA-N 366.469 3.886 0 40 FHAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(NC(=O)NC(C)(C)CO)(C4)C2)C3)cc1 18060361 SVLNEKCDNMHIHJ-RGMRCXJASA-N 356.510 3.656 0 40 FHAB C[C@H]1CCCCN1CCNCc1nc(-c2ccc(C(F)(F)F)cc2)no1 19496376 SDSGIDKAYNAHTH-ZDUSSCGKSA-N 368.403 3.719 0 40 FHAB CS(=O)(=O)c1cc(Cl)cnc1[C@@H]1CCCN(Cc2cccs2)C1 19573328 LETYHRIUJJBBSP-GFCCVEGCSA-N 370.927 3.580 0 40 FHAB CCOC1CCN(C(=O)CCCc2nc3cc(Cl)ccc3n2C)CC1 19714226 IKFHILJHPXEKAL-UHFFFAOYSA-N 363.889 3.577 0 40 FHAB CCc1cc(OS(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1Cl 21820559 KKYCEMCXIILSML-UHFFFAOYSA-N 353.827 3.629 0 40 FHAB COc1cccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1OC 21931242 FILRDXWLWMPXFW-UHFFFAOYSA-N 357.450 3.810 0 40 FHAB COC(=O)c1ccc(-c2ccc(CN[C@H](C)[C@H](O)c3ccccc3)o2)cc1 22076849 SWLUUPYQFONYSZ-VFNWGFHPSA-N 365.429 3.945 0 40 FHAB Cc1cc(Cl)ccc1OCC(=O)NC[C@H](c1cccs1)N(C)C 23330283 KIKLQFLDRUOEIM-CQSZACIVSA-N 352.887 3.508 0 40 FHAB O=C(NCC1CC1)c1ccccc1C(=O)c1ccc(Br)cc1 27469039 LBIYZBWQBXEJJM-UHFFFAOYSA-N 358.235 3.820 0 40 FHAB Cc1ccc(C)c(-n2nc(C)cc2NC(=O)CN(C)Cc2ccccc2)c1 28902163 IPRNJJUSHUYGQA-UHFFFAOYSA-N 362.477 3.868 0 40 FHAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(N3CCCC3)cn2)cc1 30854341 FVQMSGOQVRXLAM-RDTXWAMCSA-N 364.449 3.529 0 40 FHAB COc1ccc(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)cc1OC 32071172 CPCDUPCAJBWNOQ-UHFFFAOYSA-N 350.418 3.990 0 40 FHAB CC[C@@H]1CCc2sc(C(=O)N[C@H](C)[C@@H](O)c3ccc(O)cc3)cc2C1 32731823 ARVXQCKBKCDVMP-VLXJIEOASA-N 359.491 3.821 0 40 FHAB CC(=O)c1c(C)nn(C[C@H](O)Cn2c3ccccc3c3ccccc32)c1C 36640152 HQIVDRCYMDXLDN-QGZVFWFLSA-N 361.445 3.872 0 40 FHAB Cc1nc(C)c(C(=O)OCc2cc(-c3ccc4c(c3)OCCO4)on2)s1 36662516 FOXJPOKSJSOAGR-UHFFFAOYSA-N 372.402 3.543 0 40 FHAB Nc1[nH]nc(-c2ccc(Br)s2)c1-c1ccc2c(c1)OCO2 37349492 MRSVGIVBXXAUMR-UHFFFAOYSA-N 364.224 3.879 0 40 FHAB CC(C)[C@@H](NC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccccc1 40131623 RQVJTFXVXDYIEC-QFBILLFUSA-N 372.900 3.860 0 40 FHAB COC(=O)c1cnc(NC(=O)CCCOc2cccc3ccccc23)s1 40131981 LZSBSVAJKMQZQV-UHFFFAOYSA-N 370.430 3.881 0 40 FHAB COc1ccccc1-c1ccccc1C(=O)Nc1ccc(-n2cncn2)nc1 40132729 SBYXILMTFINRDD-UHFFFAOYSA-N 371.400 3.590 0 40 FHAB CC(C)[C@H](Sc1cccc[n+]1[O-])C(=O)Nc1cccc2ncccc12 42937132 COGGPQOEDSXMFM-SFHVURJKSA-N 353.447 3.624 0 40 FHAB CCOCCNC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 48302314 BLDXSJVAUMYQKM-UHFFFAOYSA-N 359.813 3.552 0 40 FHAB C[C@H](SCc1ccccc1)C(=O)NC[C@@H]1CCN(c2ccccc2)C1 48356112 FAFCEPZCTOPHSE-HKUYNNGSSA-N 354.519 3.951 0 40 FHAB C[C@H](NCC(=O)NCCc1ccc(F)cc1)c1ccc2c(c1)CCCC2 49581178 MTSNIBHZAGONAZ-INIZCTEOSA-N 354.469 3.714 0 40 FHAB O=c1[nH]c2ccccc2n1C1CCN(Cc2cccc(OC(F)F)c2)CC1 50959163 VFTNHOLPGMVNPT-UHFFFAOYSA-N 373.403 3.768 0 40 FHAB C[C@@H](c1ccco1)N(C(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C1CC1 56182044 KXVZIGDGJYLPQV-NSHDSACASA-N 369.389 3.642 0 40 FHAB CCc1cccc(OC[C@@H](O)CSc2nnc(-c3cccs3)o2)c1 58157200 OEHLWVFEIIXAQE-CYBMUJFWSA-N 362.476 3.893 0 40 FHAB CC(C)N1CCC[C@H](CNC(=O)CCc2ncc(-c3ccccc3)o2)C1 58172250 PCABTEFWHNCQAL-QGZVFWFLSA-N 355.482 3.511 0 40 FHAB O=C(C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccc2c(c1)CCC2 58174797 ZMGPRUIQGYCXCU-GOSISDBHSA-N 374.440 3.905 0 40 FHAB Cc1nnc([C@@H](C)Sc2nc(-c3ccccc3Br)n[nH]2)o1 63416069 ASPLPUUKPGAOJE-SSDOTTSWSA-N 366.244 3.779 0 40 FHAB Cc1ccccc1OC[C@@H](C)NC(=O)COc1cccc(C(F)(F)F)c1 65720171 ACUMSFIWWHSHTO-CQSZACIVSA-N 367.367 3.976 0 40 FHAB CCOC1CCN(C(=O)C2CCN(c3nc4ccccc4s3)CC2)CC1 66332344 XPWQESAHIJMJDZ-UHFFFAOYSA-N 373.522 3.540 0 40 FHAB CN(C)CCNc1nc2c(-c3cccc(Cl)c3)nnn2c2ccccc12 67261523 BYUWVQOEVXJRSK-UHFFFAOYSA-N 366.856 3.571 0 40 FHAB c1ccc(CCN2CCCC[C@@H]2c2ccnc(Nc3cnccn3)n2)cc1 72377573 CACKBWCWLXHDQT-LJQANCHMSA-N 360.465 3.780 0 40 FHAB CC[C@@H]1CCCN(C(C)(C)CNC(=O)Nc2nnc(C(C)C)s2)C1 75610398 VGUULGAXGWTCAJ-CYBMUJFWSA-N 353.536 3.684 0 40 FHAB O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCCCC[C@@H]1c1ccco1 76497542 ASBHSEHMMNKEOE-CQSZACIVSA-N 368.355 3.604 0 40 FHAB Cc1cc(C)c(NC(=O)c2ccc(-n3nc(C)cc3C)nc2)c(Cl)n1 78000916 LGJJQBJCZPIPGQ-UHFFFAOYSA-N 355.829 3.802 0 40 FHAB COc1ncccc1CNC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 80069397 VUPXGMVTHMPSFY-IBGZPJMESA-N 351.450 3.842 0 40 FHAB Cc1noc(C)c1[C@H](C)NC(=O)N[C@H](Cc1ccccc1)C(F)(F)F 95421882 PGDXNCQLYFEPMG-IINYFYTJSA-N 355.360 3.825 0 40 FHAB O=C(Nc1sccc1C(=O)NCC1CCSCC1)c1cccs1 95959154 WVBXBCDCIJLIIV-UHFFFAOYSA-N 366.533 3.935 0 40 FHAB CCO[C@@H]1CCC2(CCN(C(=O)c3csnn3)CC2)c2ccccc21 96079622 IWUIFVBGIBXMGG-QGZVFWFLSA-N 357.479 3.584 0 40 FHAB CN1C[C@@H](c2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)C1=O 96100289 KSCABMGNLBJTRI-FQEVSTJZSA-N 352.453 3.664 0 40 FHAB CC(C)[C@@H]1CC(=O)Oc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c21 96116005 FJNQFRAWUCQLMZ-ZDUSSCGKSA-N 366.369 3.920 0 40 FHAB biogenic Cc1ccc(NC(=O)[C@@H]2C(=O)C[C@](C)(O)C[C@@H]2c2ccccc2)c(C)c1 101406533 ZZCYFVLFXLNREF-PIPMEXSNSA-N 351.446 3.756 0 40 FHAB COc1cccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]2[C@@H]2CC[C@@H]3C2)c1O 102784875 ZSRYUSRGJUITDT-GQWGITQZSA-N 361.488 3.803 0 40 FHAB O=C1CC2(CCN(C(=O)c3ccccc3)CC2)Oc2ccc(Cl)cc21 170494868 RVWIHGMMZXEGOJ-UHFFFAOYSA-N 355.821 3.980 0 40 FHAB CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC1CCCCC1 217523502 WVWKADPVCJEXTR-CYBMUJFWSA-N 368.499 3.596 0 40 FHAB COc1ccc(-c2noc(CN(C)C(=O)Cc3ccc(C)c(C)c3)n2)cc1 218812437 FVIYYGKROIWGSK-UHFFFAOYSA-N 365.433 3.563 0 40 FHAB Cc1ncsc1C(=O)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 220925041 CDGOGCMOEYYNNK-GFCCVEGCSA-N 374.491 3.658 0 40 FHAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 222673600 FAWCXFWQFMXDNC-MRXNPFEDSA-N 370.468 3.700 0 40 FHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1cccc(C)c1 222756767 ZRSCEZVNJCOZEC-GOSISDBHSA-N 355.434 3.801 0 40 FHAB COc1ccc(CCNS(=O)(=O)c2cc(Cl)ccc2SC)cc1 223432910 FICJJYUHZZHFCE-UHFFFAOYSA-N 371.911 3.592 0 40 FHAB O=C(Nc1cccs1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225735254 RRFITDRLAGHEDK-LLVKDONJSA-N 357.357 3.847 0 40 FHAB O=C(/C=C/c1ccc2c(c1)OCO2)NCc1cccnc1-c1cccs1 225759852 AEQLGPHSSKHAKK-SOFGYWHQSA-N 364.426 3.868 0 40 FHAB Cc1cc(C)c(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)c(C)c1 225971211 LVQPAMPEZYCRPC-UHFFFAOYSA-N 366.870 3.889 0 40 FHAB CC1CCN(CC(=O)N2N=C(c3ccsc3)C[C@@H]2c2ccco2)CC1 226791855 KMIKMHZHSURQOJ-QGZVFWFLSA-N 357.479 3.751 0 40 FHAB Cc1ccc2c(CC(=O)N3CCC[C@H](c4nc(C)cn4C)C3)coc2c1 257249436 JIICFLGPEBUGCU-INIZCTEOSA-N 351.450 3.732 0 40 FHAB CNc1cc([C@@H]2CCCN2C(=O)C2(c3ccc(OC)cc3)CC2)ccn1 257302386 SCSNYQNGASLYQF-SFHVURJKSA-N 351.450 3.527 0 40 FHAB COc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(OC)c1C 260775104 PDQQSLDHZUSJBX-OCBCSQNSSA-N 369.490 3.997 0 40 FHAB COc1ccc(/C=C/C(=O)N[C@@H](C)CCc2ccccc2)c(OC)c1OC 408563233 KIULEKIDMMBKQU-MDJJKAFGSA-N 369.461 3.863 0 40 FHAB Cn1c(=O)n(C)c2cc(NC(=O)/C(=C/c3ccco3)c3ccccc3)ccc21 408573386 DLNCVPKOLDYZFI-NBVRZTHBSA-N 373.412 3.649 0 40 FHAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)COc1cccc2ccccc12 408714950 ZCCHRBZDBXPLPS-UHFFFAOYSA-N 373.412 3.927 0 40 FHAB CC(C)Cn1c(SCC(=O)c2ccccc2)nnc1-c1ccncc1 409099804 UGGOJIQEMQRMFI-UHFFFAOYSA-N 352.463 3.971 0 40 FHAB COc1cc(Br)c(/C=C2\C(=O)Nc3ccccc32)cc1OC 409122192 YKWFGECLXFREPP-GHXNOFRVSA-N 360.207 3.959 0 40 FHAB O=C(c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)N1CCCCC1 409382573 UFFLWJNTZBSEMD-HXUWFJFHSA-N 370.474 3.680 0 40 FHAB CN1CC[C@H](NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)[C@@H]2CCC[C@@H]21 560525860 BNAJITNXQIATAF-OAJYNBCQSA-N 353.554 3.644 0 40 FHAB CC[C@](C)(NC(=O)c1ccccc1)c1noc(-c2cc(C(C)C)[nH]n2)n1 579890978 WIMPHCSLADZTHO-IBGZPJMESA-N 353.426 3.638 0 40 FHAB O=C(C1=CCCC1)N1Cc2cccn2C[C@@H](CCOc2ncccc2F)C1 585095562 XIUXTHKWXMOJDV-MRXNPFEDSA-N 369.440 3.560 0 40 FHAB O=C(Nc1ccc(F)cn1)N1CC(Cc2ccccc2Br)C1 626491724 CSRWDYLYWCLQJQ-UHFFFAOYSA-N 364.218 3.690 0 40 FHAB C=CC(=O)Nc1ccc(C(=O)Nc2cccc3c2OC(C)(C)CC3=O)cc1 1587615228 DXAGHGBMGDUJDS-UHFFFAOYSA-N 364.401 3.807 0 40 FHAB C=CC(=O)Nc1cc(NC(=O)Cn2ccc3ccc(F)cc32)ccc1F 1621655970 ZQHTULAVHGMECA-UHFFFAOYSA-N 355.344 3.683 0 40 FHAB C[C@H]1CC[C@H](C(=O)N2CCC3(CC2)CO[C@@H](COc2ccccn2)C3)CC1 2055806605 XGAFXVRIHSKYCK-GUDVDZBRSA-N 372.509 3.684 0 40 FHAB COC(=O)c1ccccc1C[C@@H](Cc1ccc2c(c1)CCC2)C(=O)OC 1855358 SIIWIPKLSNSSHP-LJQANCHMSA-N 352.430 3.536 0 40 FHAB CC(C)Cc1nc2oc3c(NC[C@@H](C)O)ncnc3c2c2c1CCCC2 2237960 RMHHBZGONJTIEZ-GFCCVEGCSA-N 354.454 3.641 0 40 FHAB CCCCCNC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12 2255944 OGRDXWAAQQNJHV-UHFFFAOYSA-N 353.470 3.743 0 40 FHAB CCCCC(=O)NC(Nc1cc(C)ccn1)(C(F)(F)F)C(F)(F)F 3145722 WTWYVJINTPMPNF-UHFFFAOYSA-N 357.298 3.929 0 40 FHAB CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc3ccccc3c2)cc1 3311504 ZCIHBBXNKPOEFQ-UHFFFAOYSA-N 362.385 3.594 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2c(C)cc(C)cc2C)c1C 3331675 DUEOQAMNJZHGBQ-UHFFFAOYSA-N 356.422 3.555 0 40 FHAB O=C(COC(=O)c1csc2c1CCCC2)Nc1ccc(F)c(F)c1F 3437292 OQIKSHGEWMJMCG-UHFFFAOYSA-N 369.364 3.840 0 40 FHAB O=C(COc1ccccc1)N1CCN=C1SCc1cccc(Cl)c1 4120626 OJDZKXYCXHYOLD-UHFFFAOYSA-N 360.866 3.850 0 40 FHAB CCOc1ccc(N2C[C@H](C(=O)Nc3cc(C)cc(C)c3)CC2=O)cc1 4385206 QJRWDDJDJMUIEP-MRXNPFEDSA-N 352.434 3.694 0 40 FHAB COc1cccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(C)cc2)c1 4543954 GNJMCYHUXDRYPT-UHFFFAOYSA-N 369.417 3.539 0 40 FHAB Cc1ccccc1NC(=O)CCCC(=O)OCC(=O)c1ccc(F)cc1 4544783 BSORNPIRCIHVEB-UHFFFAOYSA-N 357.381 3.669 0 40 FHAB CCCC(=O)Nc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 4687722 RJVBJBJKYZDOCF-UHFFFAOYSA-N 369.440 3.527 0 40 FHAB CCCCOP(=O)(OCCCC)[C@H](CC(=O)OCC)C(=O)OCC 4691824 QBEFPXQICQAOSO-CQSZACIVSA-N 366.391 3.698 0 40 FHAB O=C(Cc1cccs1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 5200040 STKDBBVLISTNDX-UHFFFAOYSA-N 370.396 3.785 0 40 FHAB Cc1ccc(NC(=O)c2cccn(Cc3ccccc3C)c2=O)cc1F 5269217 JDGFVWFTTJAELK-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB Cc1cc(C)n2nc(C(=O)N(Cc3ccccc3)Cc3ccccc3)nc2n1 5346262 YRJLFBGGOIXJRZ-UHFFFAOYSA-N 371.444 3.584 0 40 FHAB O=C(C[C@H](NCc1ccc(Cl)cc1)C(=O)O)c1ccc(Cl)cc1 5634323 AXAUIOUQLSAYMF-HNNXBMFYSA-N 352.217 3.809 0 40 FHAB CCCCCNC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 6320543 AFENIOGLVWBUGA-UHFFFAOYSA-N 374.506 3.573 0 40 FHAB O=C1C[C@@H](c2ccc(OCc3cccc4ccccc34)cc2)n2ncnc2N1 6476730 RUFQKHDKTVIOGN-FQEVSTJZSA-N 370.412 3.942 0 40 FHAB CN(C)C(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 6635660 WCKGIWUKNXHMGU-UHFFFAOYSA-N 364.902 3.894 0 40 FHAB Cc1cccn2c(=O)c3cc(C(=O)N[C@@H]4CCCC[C@H]4C)sc3nc12 6861294 WVOJMJPXIGLIFK-BXUZGUMPSA-N 355.463 3.526 0 40 FHAB O[C@@H](COCc1ccc2c(c1)OCO2)CSc1ccc2ccccc2n1 7032009 SJGYLPXIDNRMEZ-INIZCTEOSA-N 369.442 3.633 0 40 FHAB O=C1CCCN1c1ccc(OCc2cc(Cl)cc3c2OCOC3)cc1 7063083 MIEZGMDKGKDAQE-UHFFFAOYSA-N 359.809 3.912 0 40 FHAB CN(Cc1nc2ccccc2s1)C(=O)CSc1nc2ccccc2[nH]1 7221434 DTHXHZZOWFDAIY-UHFFFAOYSA-N 368.487 3.923 0 40 FHAB c1nc(Sc2nnc(CN3CCCC3)o2)c2c3c(sc2n1)CCCC3 8200974 FBTWNUSFYHCIDE-UHFFFAOYSA-N 373.507 3.700 0 40 FHAB Cc1ccc(-c2nnc3sc(-c4ccc(Cl)cc4)nn3c2=O)cc1 8991187 JMWDLINHXPTXCB-UHFFFAOYSA-N 354.822 3.842 0 40 FHAB Cc1ccc(O)c(-c2cc(C(=O)/N=c3\[nH]c4ccc(F)cc4s3)n[nH]2)c1 9014947 NOHWPXZIVGEJDP-UHFFFAOYSA-N 368.393 3.514 0 40 FHAB Cc1cccc(CN2CCCN(Cc3ccccc3Cl)S2(=O)=O)c1 9224620 ZPDUXFNHDKPYHQ-UHFFFAOYSA-N 364.898 3.601 0 40 FHAB Fc1cc2c(c(CSc3n[nH]c4nc5ccccc5n34)c1)OCOC2 9364360 MBMZGWXNOVNSQP-UHFFFAOYSA-N 356.382 3.509 0 40 FHAB O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)NCc1cccnc1 9526209 NTOOYUQGSWLMKD-OUKQBFOZSA-N 357.413 3.664 0 40 FHAB COc1cc(OC)cc(C(=O)NCCCc2cccc(OC(C)C)c2)c1 10542307 JBRYLYDEUQLFLK-UHFFFAOYSA-N 357.450 3.854 0 40 FHAB COc1ccc(O[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 11647836 RBBBZAHUMVHRRD-LLVKDONJSA-N 355.312 4.000 0 40 FHAB O=C(Cc1csc(-c2ccccc2F)n1)NC1Cc2ccccc2C1 11865438 ARJLOKSLVCOYQS-UHFFFAOYSA-N 352.434 3.775 0 40 FHAB Cc1cc(C)c(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CC2)c(C)c1 11988678 WSRDNTBAOHNXIA-UHFFFAOYSA-N 354.425 3.537 0 40 FHAB COc1cccc(CN2Cc3ccccc3OC3(CCOCC3)C2)c1OC 12122147 KWIWTTUNAJHMIU-UHFFFAOYSA-N 369.461 3.648 0 40 FHAB Cc1ccc(NCCN2C(=O)S[C@H](Nc3ccc(F)cc3)C2=O)cc1 12136866 DKOUSEHZLCRJDC-INIZCTEOSA-N 359.426 3.680 0 40 FHAB CCNCc1cc2c(-c3cccc(F)c3)nn(-c3ccccc3)c2[nH]c1=O 12186507 NPCUNXBYBHSMDQ-UHFFFAOYSA-N 362.408 3.629 0 40 FHAB CCN1CCc2nc(NC(=O)c3ccccc3Br)sc2C1 12793578 STZAXKJZFDOHKL-UHFFFAOYSA-N 366.284 3.536 0 40 FHAB O=C(COc1cc(Cl)ccc1Cl)c1c[nH]c(C(=O)N2CCCC2)c1 12986565 IWSHVBPMXNWPNB-UHFFFAOYSA-N 367.232 3.819 0 40 FHAB CN(CCOc1cccc(Cl)c1)Cc1cc(=O)oc2cc(O)ccc12 12996464 LZVHRAMKNXREKL-UHFFFAOYSA-N 359.809 3.663 0 40 FHAB O=S(=O)(Cc1c(F)cccc1Cl)NCCCc1ccc(F)cc1 13667934 GFYOJSKAHJOXGZ-UHFFFAOYSA-N 359.825 3.670 0 40 FHAB CCOC(=O)c1[nH]c(C)c(C(=O)COc2cccc3ccc(C)nc23)c1C 14339411 SSXJNKBNHQEGAX-UHFFFAOYSA-N 366.417 3.927 0 40 FHAB Nc1c(Cl)c(Cl)nc(C(=O)OCCOc2ccccc2)c1Cl 14704485 CIMSZRNLGMXAAM-UHFFFAOYSA-N 361.612 3.860 0 40 FHAB CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 14869514 SSPTXLCFBCUCOU-UHFFFAOYSA-N 372.490 3.895 0 40 FHAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1cccc(Br)c1 15332057 VERIEZWUIGKDRS-JTQLQIEISA-N 364.195 3.584 0 40 FHAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[C@H]1C=CCC1 17862769 OOLWUMOLWLEXKF-ZDUSSCGKSA-N 365.271 3.511 0 40 FHAB CC(C)c1cc(C(=O)N2CCC[C@H](c3nnc(-c4ccsc4)o3)C2)no1 19452706 OBCNWMGUJGMSBA-LBPRGKRZSA-N 372.450 3.929 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)c1nnc(NC(=O)[C@@]2(C)CCCO2)s1 19459906 GQUUGTHALAEFMO-QLJPJBMISA-N 367.858 3.839 0 40 FHAB CNC1CCC2(CC1)CN(Cc1ccc(OC)cc1)Cc1ccccc1O2 19591985 ISEXLDZQGBHYOQ-UHFFFAOYSA-N 366.505 3.991 0 40 FHAB CCC(=O)N1CCC2(CC1)C[C@@H](N(CC)C(C)=O)C[C@@H](c1ccccc1)O2 19712758 FNNXXLTZIUIRLC-PMACEKPBSA-N 372.509 3.546 0 40 FHAB CC[C@@H](C)[C@H](NC(=O)Cc1csc(-c2cccc(Cl)c2)n1)C(=O)O 20719828 ZTGTZCDGMLAQEQ-BMIGLBTASA-N 366.870 3.622 0 40 FHAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)N[C@@H]1CCCc2ccccc21 22174079 MODFONAOEMOYPF-IAQYHMDHSA-N 374.535 3.787 0 40 FHAB CC(=O)c1cc2c(cc1NC(=O)c1ccc(C(F)(F)F)nc1C)OCO2 24644968 PVCPJWHIDBQMBJ-UHFFFAOYSA-N 366.295 3.592 0 40 FHAB Cc1ccc(C(=O)CSc2nnnn2-c2cccc(Cl)c2C)cc1 28047781 YKNPELMYDNRPSF-UHFFFAOYSA-N 358.854 3.908 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)cc1 32791072 BIWIYKXWKIAIRC-RIYZIHGNSA-N 370.792 3.658 0 40 FHAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc3c(c2)CCC(=O)N3)cc1C 32841160 YWTBQSUUEKESPO-AWEZNQCLSA-N 351.402 3.616 0 40 FHAB CN(C)C(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 32912986 WYPVLQULNCKEET-UHFFFAOYSA-N 367.449 3.811 0 40 FHAB CSc1ncc(Cl)c(C(=O)N(C)Cc2ccc([C@H]3C[C@H]3C)o2)n1 32970343 OMRUTJFRRVEWER-KOLCDFICSA-N 351.859 3.841 0 40 FHAB CN(CCOc1ccc(F)cc1)C(=O)c1n[nH]c2c1C[C@@H](C(C)(C)C)CC2 35316698 DZSWUAYURWIMBL-AWEZNQCLSA-N 373.472 3.851 0 40 FHAB Cc1ccc2c(C(=O)CN3CCN(c4ccc(F)cc4)CC3)c(C)[nH]c2c1 35999906 ZNHNWORMMCTGTK-UHFFFAOYSA-N 365.452 3.929 0 40 FHAB O=C(CCn1ccc2c(Br)cccc21)NCCc1ccco1 40284010 ZQZHNFRNHPPEEW-UHFFFAOYSA-N 361.239 3.746 0 40 FHAB CCCCCn1ccc2c(nnc3c(-c4ccccc4)c(CC)nn32)c1=O 40388310 MNRQRMFLSULDRI-UHFFFAOYSA-N 361.449 3.859 0 40 FHAB COc1ccc(C(=O)c2ccccc2)cc1NC(=O)COc1ccccc1 41365912 SYEAPHHXTNTION-UHFFFAOYSA-N 361.397 3.944 0 40 FHAB C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1CC=C(c2ccccc2)CC1 42292754 KPFLRXURBWIWON-UTKZUKDTSA-N 362.473 3.804 0 40 FHAB O=C(NCC1CCN(C(=O)Oc2ccccc2)CC1)Nc1ccccc1 43983863 SVMPMMIZQWXXPK-UHFFFAOYSA-N 353.422 3.719 0 40 FHAB Brc1ccc(-c2nnc3sc(-c4cccnc4)nn23)s1 44891504 XWQOLQXPPUZLCK-UHFFFAOYSA-N 364.253 3.739 0 40 FHAB O=C(Cc1csc(Cc2ccccc2)n1)N1CCc2ccc(O)cc2C1 48252968 MQOYRURCJPBKPY-UHFFFAOYSA-N 364.470 3.567 0 40 FHAB CN(Cc1ccccc1)c1ccccc1NC(=O)Cn1nnc2ccccc21 48325638 MHRQQJWGRCHHAB-UHFFFAOYSA-N 371.444 3.706 0 40 FHAB Cc1noc(-c2ccnc(SCC(=O)Nc3c(C)cccc3C)c2)n1 49405342 DNISZMWSHQHVKG-UHFFFAOYSA-N 354.435 3.788 0 40 FHAB c1ccc(Cc2nnc(SCc3csc(-c4ncccn4)n3)o2)cc1 53419186 IZUCNTPAXICCGO-UHFFFAOYSA-N 367.459 3.866 0 40 FHAB C[C@@H](Nc1ccc(OCC(F)(F)F)nc1)C(=O)Nc1cccnc1Cl 56156071 CKDNTORXSZHDQB-SECBINFHSA-N 374.750 3.510 0 40 FHAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)N2CCCC[C@H]2C)c(=O)c1C 57528036 DVSPSMFIDDCPQT-CYBMUJFWSA-N 373.884 3.582 0 40 FHAB CC(=O)Nc1cc(N[C@H](C(=O)NC2CC2)c2ccccc2)ccc1Cl 58182290 RWYAZYAEQQIHGI-SFHVURJKSA-N 357.841 3.730 0 40 FHAB Nc1nccnc1C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 62640067 SOQHFZJTQKTQSI-UHFFFAOYSA-N 354.797 3.544 0 40 FHAB Cc1ccc(C(=O)N2CCN([C@@H]3CCCc4ccccc43)CC2)cc1F 65622520 AIXYMAULJZSBFX-OAQYLSRUSA-N 352.453 3.970 0 40 FHAB CCc1ccc(-n2cc(C(=O)NCc3ccc(F)cc3Cl)nn2)cc1 67262103 ZVFLTLMCYSGGNH-UHFFFAOYSA-N 358.804 3.552 0 40 FHAB CC(C)N1CCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 72216401 YSSHLLJSJYFFPZ-GOSISDBHSA-N 374.529 3.684 0 40 FHAB CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc2c(F)cccc2[nH]1 72303674 RTHQYSIIOPNOCR-QGZVFWFLSA-N 365.452 3.901 0 40 FHAB O=C(Nc1ccc(OC2CCCC2)cc1)N1CCC[C@H](c2nc[nH]n2)C1 72313735 CKQRZDYLRVDWIK-AWEZNQCLSA-N 355.442 3.538 0 40 FHAB COc1cc(Cl)ccc1C(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1 72331364 ZKGFZHXXRHFDSO-UHFFFAOYSA-N 372.852 3.514 0 40 FHAB Cc1nn(C)c(C)c1CN1CCC(c2cc3ccccc3c(O)n2)CC1 72360989 SNRIFBJHXQCSAA-UHFFFAOYSA-N 350.466 3.670 0 40 FHAB Cc1cccnc1[C@]1(O)CC[C@H]2CN(Cc3ccc4ncccc4c3)C[C@H]21 72392522 QOHAXFXWJLMYLQ-MZKRTTBSSA-N 359.473 3.668 0 40 FHAB COc1ccc2[nH]cc(C3=CCN(CCC(=O)N4CCC[C@H]4C)CC3)c2c1 72578420 IPPSJQAFYNVTJI-MRXNPFEDSA-N 367.493 3.667 0 40 FHAB COc1ccc2c(c1)OC[C@H](C(=O)N1CC[C@H](c3ccccc3)[C@H]1C)C2 75107423 UEZHWAPKVBLNNP-ZTNFWEORSA-N 351.446 3.651 0 40 FHAB COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC(O)(c3ccccc3C)CC2)cc1 75148645 NBQGJAYUCBMJMV-PMACEKPBSA-N 365.473 3.617 0 40 FHAB CCN(CC)c1ccc(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)c(O)c1 95373581 VIPWRLDGFUBSPT-IERDGZPVSA-N 368.477 3.841 0 40 FHAB CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1cccc2ncccc12 95377607 YXFQRUQRGNXXCF-HNNXBMFYSA-N 369.465 3.754 0 40 FHAB Cc1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2O)ccc1F 95454507 KCNBVACTPJEEML-UHFFFAOYSA-N 350.198 3.947 0 40 FHAB Cc1ccccc1CN1CCC[C@]12CCCN(C(=O)c1cscn1)C2 96071333 JXIDFLMTHTZPRZ-FQEVSTJZSA-N 355.507 3.722 0 40 FHAB C[C@@H](NC(=O)Cc1ccccc1)c1c(-c2ccc(F)cc2)noc1C(=O)O 96296856 LEDNHCHRZAMSCW-GFCCVEGCSA-N 368.364 3.599 0 40 FHAB biogenic,in-vitro CCCOc1ccc(CN[C@H](Cc2ccccc2)C(=O)OCC)cc1OC 97049979 KTYLMYZZUZXQCZ-LJQANCHMSA-N 371.477 3.748 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(C)cc1 223879612 FZEKFXJPLVEZQR-QGZVFWFLSA-N 370.468 3.620 0 40 FHAB COc1ccc(CC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1C 225718802 JQRPZDZDRZJZHS-UHFFFAOYSA-N 354.450 3.571 0 40 FHAB CCCO[C@]1(C(=O)Nc2ccc(OC)c(C(=O)OC)c2)CCC[C@@H](C)C1 225853253 HDWRDKPXQVTHST-JLTOFOAXSA-N 363.454 3.796 0 40 FHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Oc2ccccc2C=O)CC1=O 408649828 AJISESKCKVVITE-SFHVURJKSA-N 365.429 3.582 0 40 FHAB CCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408705068 XSXBNGZXQSZRHY-IBGZPJMESA-N 374.893 3.864 0 40 FHAB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCC[C@@H]1C 409003834 VHYJRZFVRHQZSF-UCLAIMLFSA-N 371.481 3.520 0 40 FHAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)o1 409165015 QYZMJHRXUIYKPZ-OQLLNIDSSA-N 370.430 3.880 0 40 FHAB Cc1cc(C(=O)NC[C@H]2CCCN3CCCC[C@@H]23)c2cc(F)ccc2n1 504700710 IWGOGVQXAIAKHJ-QRWLVFNGSA-N 355.457 3.677 0 40 FHAB biogenic O=C(c1ccc2[nH]ccc2c1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 560760453 FHYQYGPUFNJPTO-QHCPKHFHSA-N 359.473 3.906 0 40 FHAB Cc1[nH]nc2cc(NC(=O)[C@H]3CCN(c4ccccc4Cl)C3)ccc12 578704138 QSGZQUUUYRGCOF-ZDUSSCGKSA-N 354.841 3.990 0 40 FHAB O=C1CC[C@H](C(=O)N2CCCc3cccc(OC(F)F)c32)n2cccc21 582220938 OXZZGVITCGZQOG-CQSZACIVSA-N 360.360 3.587 0 40 FHAB Cc1nn(C)c(NC(=O)N[C@H](C)c2ccc(F)cc2F)c1Br 640164736 BLLLBUIFJZLJTO-SSDOTTSWSA-N 373.201 3.652 0 40 FHAB CC(=O)N1CCN(C2CCCCC2)C[C@@H](Cc2ccc3ncccc3c2)C1 1615190787 JDLOUEHPXNGZSL-FQEVSTJZSA-N 365.521 3.890 0 40 FHAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(F)cc1 679738 RPGKUNHWZPVEGF-UHFFFAOYSA-N 354.337 3.932 0 40 FHAB Cc1ccccc1O[C@H]1C(=O)N(C2CCCC2)[C@H]1c1ccc2c(c1)OCO2 816235 AYSPZLVPHOCMQI-LEWJYISDSA-N 365.429 3.997 0 40 FHAB CCOC(=O)C1=C(C)Nc2nc(-c3ccco3)nn2[C@H]1c1cccc(C)c1 955241 VKGPEFODQRSNTG-KRWDZBQOSA-N 364.405 3.699 0 40 FHAB CON1C(=O)CN(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl 1435558 XSTHMPIKRUNVKV-INIZCTEOSA-N 365.216 3.538 0 40 FHAB O=C(Nc1cc(Cl)ccc1Cl)N[C@@H](Cc1ccccc1)C(=O)O 2396026 RNNAXILOIQDCFJ-AWEZNQCLSA-N 353.205 3.811 0 40 FHAB COc1ccc(-n2cnnc2S[C@@H](C)C(=O)c2ccc(C)cc2)cc1 2653688 ONNZESUHDILCHX-AWEZNQCLSA-N 353.447 3.948 0 40 FHAB COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1cccc(C(C)=O)c1 3330262 UTHWGTKMSXZANG-UHFFFAOYSA-N 361.463 3.996 0 40 FHAB CC(=O)Nc1ccc(S[C@H](C)C(=O)N2CCc3ccccc3C2)cc1 3392062 VUPRZQKCBKMMHJ-CQSZACIVSA-N 354.475 3.711 0 40 FHAB CC[C@H](C)n1nccc1NC(=O)[C@H](C)OC(=O)c1cc2ccccc2[nH]1 3429927 QSZHHNXGGHJIIS-STQMWFEESA-N 354.410 3.519 0 40 FHAB CCc1ccc(Nc2nnc(SCC(=O)NCC(C)C)s2)cc1 3461279 BNABTQNLWFYNAM-UHFFFAOYSA-N 350.513 3.708 0 40 FHAB CCN(CC)C(=O)CSc1nnc(Nc2cccc(C)c2C)s1 3463267 WXGKQFUFDOAGEY-UHFFFAOYSA-N 350.513 3.859 0 40 FHAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2C)cc1 3487177 CZCSILMUYUHIER-UHFFFAOYSA-N 369.417 3.747 0 40 FHAB CCCn1c(C)cc(C(=O)CSc2nnc(-c3ccncc3)n2C)c1C 3534259 VUBLHZYCMVRQDD-UHFFFAOYSA-N 369.494 3.680 0 40 FHAB C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(C(C)(C)C)cc1 4105493 KDRSIJAIKCHYDE-CYBMUJFWSA-N 358.463 3.520 0 40 FHAB CCOc1ccc(NC(=O)CSc2nccn2Cc2ccco2)cc1 4248862 JQEDYXZNGVLHRQ-UHFFFAOYSA-N 357.435 3.654 0 40 FHAB CN(C)c1ccc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1 4507459 LZJZUCZAHWLNHF-UHFFFAOYSA-N 366.339 3.567 0 40 FHAB CC1(C)O[C@@H]2CO[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2O1 5063346 ZTORIHMLNGCWDS-XRXFAXGQSA-N 370.445 3.665 0 40 FHAB O=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2ccc3nncn3n2)c1 5168572 KBZGZNKIBBOCQP-UHFFFAOYSA-N 363.808 3.626 0 40 FHAB CC(=O)N/C(=C\c1ccccc1)C(=O)OCc1ncc(-c2ccccc2)o1 5206482 YBCRLAHBWKZTJF-PDGQHHTCSA-N 362.385 3.562 0 40 FHAB COc1ccc(-n2ccc(=O)c(C(=O)Nc3cccc4ccccc34)n2)cc1 5483594 NQEMTNSSXLNXFL-UHFFFAOYSA-N 371.396 3.647 0 40 FHAB O=C(COC(=O)Cc1ccccc1F)Nc1cc(Cl)ccc1Cl 5780991 SHDKVWZDRGRWSJ-UHFFFAOYSA-N 356.180 3.857 0 40 FHAB Cc1cc(C)cc(-n2ncc3c(=O)n([C@H](C)C(=O)c4ccccc4)cnc32)c1 6580433 PJHJRHMXVDSSOW-MRXNPFEDSA-N 372.428 3.643 0 40 FHAB Cc1nc(-c2cccc(NS(=O)(=O)c3ccc(Cl)nc3)c2)cs1 6582360 FAIGUJFXMMQCAY-UHFFFAOYSA-N 365.867 3.968 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c1C 6602647 UZBQJOQUNDDBRM-UHFFFAOYSA-N 374.746 3.551 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)c1cnc(Cl)c(Cl)c1 6643242 YXZMCYKWMPWFIF-CWSCBRNRSA-N 359.253 3.629 0 40 FHAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1N1CCCC1 6820447 NBYKIJOYQAWYGV-FQEVSTJZSA-N 365.477 3.680 0 40 FHAB O=S(=O)(NCCSCc1ccccc1)c1ccc(Cl)cc1F 7689512 REQMQVWDXIFTEW-UHFFFAOYSA-N 359.875 3.691 0 40 FHAB COc1ccc(C)cc1[C@H](C)NC(=O)c1cccc(CN2CCCC2=O)c1 8130523 VCMUCRZDOKPTNQ-INIZCTEOSA-N 366.461 3.617 0 40 FHAB COc1ccc(-n2nnnc2SCC(=O)c2ccc(C(C)C)cc2)cc1 8283805 MCIWBOHGNSEQHK-UHFFFAOYSA-N 368.462 3.769 0 40 FHAB O=C(COc1ccc2ccccc2c1)N[C@@H]1CCN(Cc2ccccc2)C1 8389092 AWDIARUJWCAVJS-OAQYLSRUSA-N 360.457 3.609 0 40 FHAB C[C@H](Sc1nc2ncc(Cl)cc2[nH]1)c1nc2ccccc2c(=O)[nH]1 8709970 QETQRHBXTAQLNB-QMMMGPOBSA-N 357.826 3.701 0 40 FHAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc2[nH]cnc2c1 8720037 LOIXGFAANURUJH-UHFFFAOYSA-N 364.386 3.667 0 40 FHAB CCn1c(SCCCOc2ccc(C=O)cc2OC)nnc1C(C)C 8731770 YAHZXXQRYFUNDO-UHFFFAOYSA-N 363.483 3.804 0 40 FHAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1nc2ccccc2s1 8944074 OZOUEUPXUACLEO-HNNXBMFYSA-N 355.463 3.846 0 40 FHAB C[C@@H]1CCCN(C(=O)c2oc3ccccc3c2CSc2ncn[nH]2)C1 9113244 LVCPQANVFXREHU-GFCCVEGCSA-N 356.451 3.715 0 40 FHAB C[C@H](CNC(=O)[C@@H](C)Sc1nncn1-c1ccccc1)c1ccccc1 9322094 ZQDKXSNHMWEVAV-HZPDHXFCSA-N 366.490 3.668 0 40 FHAB CC(C)(C)c1ccc(C(=O)Nc2cnc3ccc(Cl)cn3c2=O)cc1 9615207 UXRNRELQTSSSGI-UHFFFAOYSA-N 355.825 3.898 0 40 FHAB O=C(NCc1ccccc1F)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 9679791 QFWRFLQUABODSU-OAHLLOKOSA-N 352.413 3.791 0 40 FHAB COc1cccc(C2=Nn3c(Cc4ccc(Cl)cc4)nnc3SC2)c1 9707921 PMBLUCCCRWESGL-UHFFFAOYSA-N 370.865 3.889 0 40 FHAB CCCCc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1 10357135 WZFGVRJQVLCJGN-UHFFFAOYSA-N 360.479 3.961 0 40 FHAB COC(=O)c1ccc(-c2nc(C(=O)OC)cc3c2[nH]c2ccccc23)cc1 11692293 HRBLRYYYROEQKC-UHFFFAOYSA-N 360.369 3.956 0 40 FHAB COc1cccc(NC(=O)CSc2nnc(-c3cc(C)oc3C)o2)c1 11835528 SFEORSZNRQHNAS-UHFFFAOYSA-N 359.407 3.686 0 40 FHAB C[C@H](NC(=O)c1ccc(-n2cnnc2)cc1Cl)c1ccc2c(c1)CCC2 12148339 SFKPGGPTXYBOEN-ZDUSSCGKSA-N 366.852 3.900 0 40 FHAB Nc1nc2n(n1)[C@@H](c1ccco1)C[C@@H](c1ccc(Cl)cc1Cl)N2 12469217 VCRPQYJPGYILCZ-NWDGAFQWSA-N 350.209 3.906 0 40 FHAB CSc1ccccc1NC(=O)[C@H](C)Nc1ccc2c(c1)CCN2C(C)=O 12594364 ZWPYECUYRZBJMA-ZDUSSCGKSA-N 369.490 3.757 0 40 FHAB CC(C)n1ncc2cc(NC(=O)COc3ccc(F)cc3Cl)cnc21 12755711 BBXRBMGKRMCJRG-UHFFFAOYSA-N 362.792 3.822 0 40 FHAB Cc1cccc(OCC(=O)N(C)CC(=O)Nc2cccc3ccccc23)c1 12760492 FFSKWWPKSKKCEX-UHFFFAOYSA-N 362.429 3.624 0 40 FHAB Cc1cccc(-n2nnnc2S[C@H](C)C(=O)c2c[nH]c3ccccc23)c1 12760629 XHOMUYRRAQUIKU-CYBMUJFWSA-N 363.446 3.816 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1C(=O)O 12804897 LHKQXPYCZPLWQF-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB Cc1ccc(C)c(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)c1 12814653 WRLMLPKCWHYBHT-UHFFFAOYSA-N 372.490 3.730 0 40 FHAB Cc1cccc(C)c1NC(=O)CNC(=O)CCCc1c[nH]c2ccccc12 12870724 MZEBCHJRXOAAAI-UHFFFAOYSA-N 363.461 3.862 0 40 FHAB Cc1cc(OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C(C)C)cc1Cl 12897378 ZIDNZOQELGERSC-UHFFFAOYSA-N 373.840 3.959 0 40 FHAB O=C(CCN1C(=O)COc2ccccc21)Nc1cc(Cl)ccc1Cl 12989310 XNNMFUVUBKQGII-UHFFFAOYSA-N 365.216 3.748 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccccc2Br)c1C 13003376 QFYDYAPOTAETDD-UHFFFAOYSA-N 363.255 3.869 0 40 FHAB CC[C@H](Sc1nnc(NC(C)(C)C)s1)C(=O)Nc1cc(C)on1 13010927 AGPPOJWVHUENLT-VIFPVBQESA-N 355.489 3.554 0 40 FHAB COC(=O)c1ccc(OC)cc1OC(=O)c1ccc(C(F)(F)F)cc1 13141584 UJAONQDOXSOQDZ-UHFFFAOYSA-N 354.280 3.720 0 40 FHAB CCCn1c(O)nnc1SCc1cc(-c2ccc(Cl)cc2)no1 14120046 VLNFJPZXCJWFHG-UHFFFAOYSA-N 350.831 3.994 0 40 FHAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc2cccnc12 14161970 NIVPQWIHLWPBGK-UHFFFAOYSA-N 370.792 3.692 0 40 FHAB CC(=O)Nc1cccc(C(=O)OCc2nc3ccccc3n2C(F)F)c1 14902326 RJIYHFGMRXFLRK-UHFFFAOYSA-N 359.332 3.747 0 40 FHAB COc1cccc(C[C@H]2C(=O)Nc3ccc(Br)cc32)c1OC 15017111 FNDRGTPNMCKDMO-CYBMUJFWSA-N 362.223 3.745 0 40 FHAB COc1ccc(CNC(=O)Cc2scnc2-c2cccs2)cc1OC 15840277 DQFFUJAHTNXWOV-UHFFFAOYSA-N 374.487 3.748 0 40 FHAB CSc1nc2nc(C)c(CC(=O)Oc3c(C)cc(C)cc3C)c(C)n2n1 18082258 XRCNGTLIJMCLRY-UHFFFAOYSA-N 370.478 3.536 0 40 FHAB CCN(CC)C[C@@H]1CCCN(Cc2cnc(-c3ccc(OC)cc3)nc2)C1 19526357 FOKXDCIFGHLSLW-SFHVURJKSA-N 368.525 3.706 0 40 FHAB COCCn1c(C)c(C(=O)N[C@@H]2CCOc3ccccc32)c2ccccc21 19666595 YZGVYVRRVNUYMY-GOSISDBHSA-N 364.445 3.850 0 40 FHAB CC(=O)c1cccc(OS(=O)(=O)c2cc(Br)ccc2C)c1 19682130 LAFYTZGORKGZNY-UHFFFAOYSA-N 369.236 3.728 0 40 FHAB CCCCC(=O)Nc1nc(-c2ccc3c(c2)N(CC)C(=O)CO3)cs1 19820111 UAPZAJNOPZMTIM-UHFFFAOYSA-N 359.451 3.684 0 40 FHAB COc1ccc(-c2c/c(=N\[C@H](C)C(=O)O)c3cc(C)ccc3o2)cc1OC 19911683 DCGNPHYKMHEHGQ-GHOZOMOVSA-N 367.401 3.799 0 40 FHAB CCCCC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1 21356987 IJCUHZHDBGBDCO-MRXNPFEDSA-N 368.543 3.724 0 40 FHAB COc1cc(OC)c(C(=O)N[C@H]2CCSc3ccccc32)cc1OC 21898808 MHLBXHVRYKVVFR-AWEZNQCLSA-N 359.447 3.679 0 40 FHAB COC(=O)c1ccc(OCc2cccc(Br)c2)c(OC)c1 22030351 UOONGMOHMVNUHY-UHFFFAOYSA-N 351.196 3.823 0 40 FHAB Clc1ccccc1COc1ccccc1CNCCCN1CCOCC1 22074021 SRPZKBXUSCHPLQ-UHFFFAOYSA-N 374.912 3.731 0 40 FHAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)c1cccs1 22833677 RPUDEYABCICJFZ-UHFFFAOYSA-N 366.442 3.939 0 40 FHAB Cc1c(O)ccc2c(CN3CCO[C@H](c4ccc(F)cc4)C3)cc(=O)oc12 23057522 UHSJAAUOYNEPBG-IBGZPJMESA-N 369.392 3.520 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccc(Cn2ccccc2=O)o1)c1ccccc1 24030360 KVLSPLQZTAJPSQ-HXUWFJFHSA-N 350.418 3.617 0 40 FHAB COc1ccc([C@H](CC(=O)N(C)Cc2ccc(C)cc2C)NC(C)=O)cc1 25598906 CERDKDCEXPBUKT-NRFANRHFSA-N 368.477 3.538 0 40 FHAB O=C1c2ccccc2C(=O)N1CCN(Cc1c(F)cccc1Cl)C1CC1 27369872 RVOQDYZNJNRESY-UHFFFAOYSA-N 372.827 3.740 0 40 FHAB Cn1cnc(S(=O)(=O)Oc2ccc(Oc3ccccc3)cc2)c1Cl 27937166 ZXUWLABTQRYJIP-UHFFFAOYSA-N 364.810 3.634 0 40 FHAB CCOc1ccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)cc1 28047356 QLQDUJOZCHQXBU-UHFFFAOYSA-N 371.458 3.596 0 40 FHAB CCN(CC)C(=O)c1cccc(NC(=O)CCc2nc3ccccc3[nH]2)c1 28793982 NWTAMAGVBWJMKS-UHFFFAOYSA-N 364.449 3.616 0 40 FHAB O=C(CN1CCC[C@@H]1c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 32777620 ZRMRAWGFEVNOPS-MRXNPFEDSA-N 358.825 3.844 0 40 FHAB NS(=O)(=O)c1ccc(Nc2nc(-c3cc4ccccc4o3)cs2)cc1 32808939 SVNQHRTVNYLFDB-UHFFFAOYSA-N 371.443 3.947 0 40 FHAB Cc1nn(-c2ccccc2)nc1C(=O)N1CCCCC[C@H]1c1cccn1C 32841747 KZDHMLKNMBRQPL-IBGZPJMESA-N 363.465 3.672 0 40 FHAB Cc1ccc(CSc2nnc(CNC(=O)c3ccc(C)cc3)n2C)cc1 33664165 XOBWGBCPZWMETM-UHFFFAOYSA-N 366.490 3.654 0 40 FHAB CCN(CC)C(=O)C1=C(C)N=C2N=NNN2[C@H]1c1ccc(C(C)(C)C)cc1 35148122 MAFDSPLKMPGYSW-KRWDZBQOSA-N 368.485 3.725 0 40 FHAB c1ccc(-n2c(SCCN3CCCC3)nnc2-c2ccncc2)cc1 36646222 USPKYGAUHFHVAJ-UHFFFAOYSA-N 351.479 3.517 0 40 FHAB CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CN1CCC[C@H](C)C1 37222261 BMFOXBJYAQQZII-WMZOPIPTSA-N 373.541 3.601 0 40 FHAB CCc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)s1 40108994 FVNMXFNZEZQQTD-CYBMUJFWSA-N 352.500 3.574 0 40 FHAB Cc1ccc2[nH]c(CSc3nnc(-c4cccs4)n3C)cc(=O)c2c1 41077346 HCUBQGYIKWJPIP-UHFFFAOYSA-N 368.487 3.986 0 40 FHAB C/C=C/c1ccc(OCC(=O)N(Cc2ccncc2)C2CC2)c(OC)c1 42655028 OGHRUOCFPBSBQZ-ONEGZZNKSA-N 352.434 3.693 0 40 FHAB Cc1c(C(=O)NCc2ccc(-n3cncn3)cc2)oc2c(Cl)cccc12 47371002 XALYICCTNNIDDC-UHFFFAOYSA-N 366.808 3.905 0 40 FHAB Cc1ccc2c(CC(=O)NCc3ccccc3Cn3ccnc3)coc2c1 48235152 BAYWLQSEZVPUPY-UHFFFAOYSA-N 359.429 3.845 0 40 FHAB COc1ccc(NC(=O)N(C[C@H]2CCOC2)C2CC2)c(C(F)(F)F)c1 48289707 VKQHXHFIDIBESD-LLVKDONJSA-N 358.360 3.747 0 40 FHAB Clc1ccccc1Cn1cc(CNC[C@H]2COc3ccccc3C2)cn1 53601478 DGYFQKSTCFLJCN-INIZCTEOSA-N 367.880 3.926 0 40 FHAB Cc1[nH]c(C(=O)Nc2ccc3oc(=O)ccc3c2)c(C)c1C(=O)OC(C)C 54631803 NKIWNTUXUGWXFO-UHFFFAOYSA-N 368.389 3.555 0 40 FHAB Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)no1 57154922 MLWJYMKFAJQRJS-QUCCMNQESA-N 353.466 3.559 0 40 FHAB COc1ccccc1[C@H](C)NCC(=O)NCC12CC3CC(CC(C3)C1)C2 58164907 XRVNXCDENIJBFY-BZSISCHUSA-N 356.510 3.678 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1Cl 58421362 TYTDXYQVJRAMHE-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB CC[C@H](Sc1nnc(C)n1CC(=O)N(C)C)c1ccc(Cl)cc1 58431804 CBTGQEQNQABCBF-AWEZNQCLSA-N 352.891 3.572 0 40 FHAB Cc1cc(C)n(-c2ccccc2NC(=O)c2c[nH]c3ccccc3c2=O)n1 65054777 VERHPSBVTRVVKU-UHFFFAOYSA-N 358.401 3.583 0 40 FHAB COc1ccc(CC(=O)Nc2ccc(-n3cccn3)c(Cl)c2)c(OC)c1 66418533 YTOGTESSGCQQDN-UHFFFAOYSA-N 371.824 3.724 0 40 FHAB COc1ccc(CNC(=O)c2cccc(Nc3ccncc3)c2)cc1OC 72283987 MPHAMHRGUVTFED-UHFFFAOYSA-N 363.417 3.772 0 40 FHAB Cc1cc(C(=O)NC(C)C)ccc1NCc1noc(Cc2ccccc2)n1 72312467 GLHFJGVOJXBZGC-UHFFFAOYSA-N 364.449 3.719 0 40 FHAB COc1cc2cc3c(nc2cc1OC)OCCN(Cc1cccs1)C3 72392468 HKUJQVLMFXDHLT-UHFFFAOYSA-N 356.447 3.708 0 40 FHAB Cc1ncoc1C(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 80636184 JXMRVHPFYDVUME-INIZCTEOSA-N 354.385 3.880 0 40 FHAB CN(C(=O)Nc1ccccc1N1CCOCC1)[C@@H]1CCc2ccccc21 83855766 BTJKEQXAWCFAQH-LJQANCHMSA-N 351.450 3.674 0 40 FHAB Cn1cnc2cc(C(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)ccc21 89761863 GAHSZHFUUYKPNH-HNNXBMFYSA-N 360.417 3.734 0 40 FHAB COc1cc(C(=O)O)cc(NC(=O)[C@H]2C[C@H]2c2ccc(C)s2)c1OC 95424829 HQGNOERYWIIAIP-NEPJUHHUSA-N 361.419 3.514 0 40 FHAB CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1cccnc1-n1cncn1 95950616 CCGZLEZBWCUXPQ-QGZVFWFLSA-N 365.437 3.582 0 40 FHAB CN(C)c1cccc(COC(=O)Cc2ccc(OCC(F)(F)F)cc2)c1 96007350 GJPOEDSZDMVRBR-UHFFFAOYSA-N 367.367 3.980 0 40 FHAB O=C(/C=C/c1ccoc1)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 96103617 IQTPFVRUZDDVTQ-ZZXKWVIFSA-N 362.385 3.723 0 40 FHAB Cn1c(C(=O)NCc2cccnc2)cc2c1c1ccccc1n2CC1CC1 96146489 UUQSMRLIYWIZGD-UHFFFAOYSA-N 358.445 3.868 0 40 FHAB CCOc1cccc2c1O[C@]1(C)C[C@@H]2NC(=O)N1c1ccc(OC)cc1 100890814 GRHOTBGQXWARMI-OXJNMPFZSA-N 354.406 3.864 0 40 FHAB CC[C@H]1CCc2nc(NC(=O)c3nc(-c4cnn(C)c4)oc3C)sc2C1 176964784 TYALHTIAGNQPSC-NSHDSACASA-N 371.466 3.607 0 40 FHAB CCOc1ccc(C(=O)NCCCN2CCc3ccccc32)cc1Cl 222784734 NXLQLYZIOVFIND-UHFFFAOYSA-N 358.869 3.921 0 40 FHAB CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(C)=O 223540135 VXGMRGWNEYEXOE-NRFANRHFSA-N 368.477 3.701 0 40 FHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 225012136 DTVDDVQOXHWIEL-OALUTQOASA-N 366.505 3.870 0 40 FHAB COc1ccc(NC(=S)NCc2ccc(OC(C)C)c(OC)c2)cc1 225530462 MHWYAWMAVXWPOC-UHFFFAOYSA-N 360.479 3.978 0 40 FHAB COc1ccc(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)cc1 225832646 XFFVAAUPSWLWJN-UHFFFAOYSA-N 374.853 3.885 0 40 FHAB O=C(CN1C(=O)CCCc2ccccc21)Nc1nc2ccc(F)cc2s1 227169073 CVTVSEFYEQLJAY-UHFFFAOYSA-N 369.421 3.743 0 40 FHAB COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)C(=O)CC[C@@]32O)C1 253617374 JQRLVXRTTRZQBF-RTHJTPBESA-N 350.499 3.702 0 40 FHAB CN(C)c1cccc(CC[C@H]2CCCCN2C(=O)c2ccccc2F)n1 257247196 IXWQGGUFOBOEOA-QGZVFWFLSA-N 355.457 3.914 0 40 FHAB O=C(CC1CCCCC1)N1CCC[C@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 257307733 TTWFAGPBFDUZGO-QGZVFWFLSA-N 367.497 3.618 0 40 FHAB Cn1cc([C@@H]2CCCCN2C(=O)c2cccc(OC(F)(F)F)c2)cn1 548016054 BTCUIUKOPSZYIM-HNNXBMFYSA-N 353.344 3.686 0 40 FHAB CC(C)N1C(=O)C2(CCN(C(=O)c3cccs3)CC2)c2ccccc21 585104226 NSGMEWSMYZKHDD-UHFFFAOYSA-N 354.475 3.677 0 40 FHAB Cc1cccnc1[C@@H](NC(=O)N1CCOc2cccc(F)c2C1)C(C)C 669869652 RVNRWPBEKPUFAV-SFHVURJKSA-N 357.429 3.830 0 40 FHAB Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCCO[C@H](C)C3)c12 1163963238 ZKYXAOLKDJWWJX-OAHLLOKOSA-N 350.466 3.712 0 40 FHAB CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCn3cccc3C2)c1 1303407342 BMFFETGJYYXTSN-UHFFFAOYSA-N 359.473 3.776 0 40 FHAB O=C(Nc1cc(F)ccc1F)c1ccn(COc2ccc(F)cc2F)n1 2786991 DMPFLGXIMAHYHA-UHFFFAOYSA-N 365.286 3.728 0 40 FHAB O=C(NCc1ccc(Cl)cc1)c1nc(-c2cccc3[nH]ccc23)no1 12391350 GTEQLRGYPRCUEE-UHFFFAOYSA-N 352.781 3.801 0 40 FHAB O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 828187 YHNZSUUELVOYDA-UHFFFAOYSA-N 360.218 3.565 0 40 FHAB CCOC(=O)c1c(NC(=O)[C@H]2CCCO2)sc2c1CC[C@H](CC)C2 668561 IBVFDWJWVJKGMN-WCQYABFASA-N 351.468 3.557 0 40 FHAB Cc1nc(C2(NC(=O)CSc3ccc(O)cc3)CCCCCC2)no1 77249371 XWCUOCOWPJWGEK-UHFFFAOYSA-N 361.467 3.542 0 40 FHAB Cc1ccc(C(=O)Nc2nc(C)c(Cc3ccc4c(c3)OCO4)s2)cn1 22414127 PUNJLUICSCOGPM-UHFFFAOYSA-N 367.430 3.727 0 40 FHAB COc1cc(NC[C@H](O)CN(CC(C)C)C2CCCC2)c2ncccc2c1 1656127 OIDQIVBIYSEUSN-IBGZPJMESA-N 371.525 3.917 0 40 FHAB C[C@H]1CN(Cc2ccccc2CNCc2c[nH]nc2C(C)(C)C)C[C@H](C)O1 79922965 ZQWQCXLRNNZLLR-IRXDYDNUSA-N 370.541 3.606 0 40 FHAB CCOc1cc2c(cc1CNC[C@H](c1ccco1)N1CCCC1)O[C@@H](C)C2 22933804 CUOMTNSDJHCUTN-QFBILLFUSA-N 370.493 3.928 0 40 FHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(-c2cnco2)cc1 54055737 SONXCCNDOCSXMN-KRWDZBQOSA-N 351.406 3.502 0 40 FHAB CCN(C(=O)c1cccc(I)c1)c1ccccc1 869714 OQPJGKHFRBJFLR-UHFFFAOYSA-N 351.187 3.958 0 40 FHAB Cc1nn(C)cc1[C@H]1CC(=O)Nc2c1sc(C(=O)O)c2-c1ccccc1 61719023 OABDPKPOWWSUQV-GFCCVEGCSA-N 367.430 3.629 0 40 FHAB COC(=O)c1ccc(OCc2csc(-c3ccccn3)n2)c(OC)c1 23021406 JZDVJPZPIUPDHY-UHFFFAOYSA-N 356.403 3.579 0 40 FHAB Cc1ccc(CNC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 6218392 ALEFJPCGRWGINP-UHFFFAOYSA-N 352.478 3.729 0 40 FHAB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccco3)cc2)cc1 992736 CUBSUKGYKRFJPT-UHFFFAOYSA-N 364.353 3.847 0 40 FHAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1 10971963 FLLMABXLLDTLLR-UHFFFAOYSA-N 368.433 3.719 0 40 FHAB CCc1cccc(C)c1NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)CC 8587152 CVZBXYFVZMUZFK-UHFFFAOYSA-N 372.490 3.522 0 40 FHAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc2c(s1)CCCC2 12542106 NVBKTEZWLSVDCL-UHFFFAOYSA-N 369.534 3.939 0 40 FHAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1 8959203 LWJNFYPCTUGLOM-UHFFFAOYSA-N 354.406 3.695 0 40 FHAB C[C@@H](NC(=O)c1ccc(F)cc1Br)c1nc2ccccc2[nH]1 12530251 WRPJFLAXAKWEIY-SECBINFHSA-N 362.202 3.956 0 40 FHAB O=C(Cc1cc2ccccc2[nH]c1=O)N[C@H]1CCc2cc(Cl)ccc21 55739621 ZDVYKRQUIRKITE-SFHVURJKSA-N 352.821 3.528 0 40 FHAB CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)[C@H]1CCC(=O)NC1 56448303 FUDPRRACOVTUDO-AWEZNQCLSA-N 374.481 3.817 0 40 FHAB COc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(C(C)=O)c1 21024684 MHJLUSMOVNJUPW-UHFFFAOYSA-N 367.323 3.934 0 40 FHAB CCN(Cc1ccccc1)C(=O)COC(=O)/C=C/c1cccc(Cl)c1 3264984 SHYFZWRTERJMNT-VAWYXSNFSA-N 357.837 3.945 0 40 FHAB O=C(Nc1ccccc1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 12687963 VJMGJTXOLOJCNI-UHFFFAOYSA-N 367.493 3.579 0 40 FHAB COc1ccccc1CN(C)C(=O)c1nn(-c2ccccc2)c2c1CCC2 12764950 ICAYYGWHLOLPFT-UHFFFAOYSA-N 361.445 3.642 0 40 FHAB Cc1ccc(NC(=O)CNC2(c3noc(C)n3)CCCCC2)c(Cl)c1 58201828 AWORWIPIJLQNLS-UHFFFAOYSA-N 362.861 3.728 0 40 FHAB O=C(Nc1cccnc1N1CCCC1)N1CCC[C@@H]1c1ccc(O)cc1 58201393 HICAOPNUZDWLME-GOSISDBHSA-N 352.438 3.756 0 40 FHAB COC(=O)[C@@H](CC(C)C)N[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 36107738 PMGRWZMIVIGETJ-WOJBJXKFSA-N 366.461 3.519 0 40 FHAB C[C@H](NC(=O)c1ccccc1)C(=O)OCc1csc(-c2ccccc2)n1 3373422 DXFVDCSWJKCWSS-AWEZNQCLSA-N 366.442 3.672 0 40 FHAB Brc1ccc(-c2nn3c(Cc4ccccc4)nnc3s2)o1 2225681 BAWLKRCMZMSACW-UHFFFAOYSA-N 361.224 3.799 0 40 FHAB O=C(CSc1nnc2ccccn12)Nc1ccc(Cl)c(Cl)c1 3398189 JVDUPLXOUQMTPD-UHFFFAOYSA-N 353.234 3.767 0 40 FHAB CCN(C(=O)c1cccc(C(=O)OC)n1)[C@H](Cc1ccc(F)cc1)C(C)C 72303436 OAKCGISFSMKVLR-LJQANCHMSA-N 372.440 3.737 0 40 FHAB CCOc1cc(C)ccc1NC(=O)c1nn(-c2ccccc2)cc1OC 48301898 XJFXJDCSOJKNLC-UHFFFAOYSA-N 351.406 3.840 0 40 FHAB CC1(C)[C@]2(C)CC[C@]1(C(=O)N(Cc1ccccc1)c1ccccn1)OC2=O 101398450 UWXBAVGGXXDSEK-FGZHOGPDSA-N 364.445 3.737 0 40 FHAB COC(=O)c1cc(COc2cc(C)cc3oc(=O)c4c(c23)CCC4)c(C)o1 2330258 WQNRIWOMSAJQBC-UHFFFAOYSA-N 368.385 3.857 0 40 FHAB CC[C@H](Sc1nncn1[C@@H](C)c1ccccc1)C(=O)Nc1cc(C)on1 48355498 KMSWDFBJRSNABH-ZFWWWQNUSA-N 371.466 3.693 0 40 FHAB Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)nc1 27640366 MZSZYQILQINFJG-UHFFFAOYSA-N 371.396 3.751 0 40 FHAB CSc1ccc(CN(C)C(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1 29602485 KZFBEFFLLUHHBR-INIZCTEOSA-N 372.490 3.512 0 40 FHAB Cc1ccc(Oc2ccc(NC(=O)[C@]34CCC(=O)N3CCS4)cc2)cc1 12808925 JXCKOYNUNDURTK-HXUWFJFHSA-N 368.458 3.791 0 40 FHAB CC(=O)NCCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 3412705 IADONDMIIQWZKI-UHFFFAOYSA-N 368.820 3.848 0 40 FHAB CCOc1cc2c(cc1NC(=O)c1cccc(NC(C)=O)c1)O[C@@H](C)C2 12945079 CHDONBGZJUQCQE-LBPRGKRZSA-N 354.406 3.619 0 40 FHAB O=S(=O)(NCCSCc1ccsc1)c1ccc2c(c1)CCCC2 12948466 OQUFJHNAXHSMSU-UHFFFAOYSA-N 367.561 3.839 0 40 FHAB COCc1c(C(=O)NCc2ccc(C(=O)O)cc2)sc2cccc(F)c12 12941234 CENHOWCPFRRJNN-UHFFFAOYSA-N 373.405 3.815 0 40 FHAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1cccc(Cl)c1 13061242 RXPNVTAXUCGTBA-QGZVFWFLSA-N 372.852 3.887 0 40 FHAB CCN(CC)[C@H](CNC(=O)Cc1ccc(C)cc1)c1cccc(OC)c1 13008848 FHCGFGVURDNPTI-OAQYLSRUSA-N 354.494 3.745 0 40 FHAB COc1ccc([C@H](CC(=O)Nc2ccc(F)c(Cl)c2)NC(C)=O)cc1 9054395 IPIVXRWFHKWADV-KRWDZBQOSA-N 364.804 3.694 0 40 FHAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)n1c(C)nc2ccccc21 9061855 YWLAGSIEYRRSNR-UHFFFAOYSA-N 364.854 3.942 0 40 FHAB CCOC(=O)N1CCC(OC(=O)c2cc(Cl)cc3cccnc23)CC1 95364800 CXHWIXPNRYJOTN-UHFFFAOYSA-N 362.813 3.666 0 40 FHAB COC(=O)c1cccc(Oc2c(F)c(F)nc(N3CCCC3)c2F)c1 13735246 QLSWPUVMTGBPII-UHFFFAOYSA-N 352.312 3.678 0 40 FHAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1 6170491 NDLFITQOYYQGOK-UHFFFAOYSA-N 359.382 3.615 0 40 FHAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(-c2nnn[nH]2)cc1 14183446 BTLHVEVGXAZXIZ-UHFFFAOYSA-N 371.400 3.698 0 40 FHAB CC[C@@H](C)c1ccc(NC(=O)CCc2c(C)nc(SC)[nH]c2=O)cc1 14185508 RHQNTYHODAUOFJ-GFCCVEGCSA-N 359.495 3.885 0 40 FHAB CC1=NN(C(=O)COc2ccc(C)c(C)c2)[C@](O)(c2ccc(Cl)cc2)C1 4860306 ZPGYQDJMEHNYMJ-HXUWFJFHSA-N 372.852 3.789 0 40 FHAB COc1cc2ccccc2cc1C(=O)OCC(=O)N[C@@H]1CCCC[C@@H]1C 4836149 GOVHUJNNKCRNCM-KBXCAEBGSA-N 355.434 3.700 0 40 FHAB O=C(COC(=O)c1cc(F)c(F)cc1Cl)Nc1ccc2c(c1)CCC2 4847034 ATNFBKRLZWTRDK-UHFFFAOYSA-N 365.763 3.902 0 40 FHAB Cc1ccc(NC(=O)c2oc3ccccc3c2CSc2ncn[nH]2)nc1 9322739 DIBATBFZNQRLID-UHFFFAOYSA-N 365.418 3.799 0 40 FHAB CCCOc1ccccc1[C@@H]1SCC(=O)Nc2c1c(O)nn2C(C)C 5965518 UBHLPULYUVDJMV-INIZCTEOSA-N 361.467 3.733 0 40 FHAB COc1cccc2[nH]c(C(=O)NCCc3c[nH]c4ccc(F)cc34)cc12 9419454 QHVWHPAXBMHKPX-UHFFFAOYSA-N 351.381 3.769 0 40 FHAB CN(CC(=O)N1CCC(c2ccccc2)=N1)Cc1c(F)cccc1Cl 7357476 LPIVCFJJAGMZCF-UHFFFAOYSA-N 359.832 3.548 0 40 FHAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2ccc(C)cc2)c1 7717050 CYCDJQZALCBJOV-LJQANCHMSA-N 354.450 3.788 0 40 FHAB COc1ccc2cc(CNC(=O)COc3ccccc3OC)ccc2c1 9874160 LEGHTFHNJHVPNF-UHFFFAOYSA-N 351.402 3.552 0 40 FHAB CN(Cc1ccccc1F)C(=O)c1ccc(Cn2nnc3ccccc32)cc1 7964298 ZGEGPJVNVQEXSL-UHFFFAOYSA-N 374.419 3.891 0 40 FHAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1cncn1-c1ccccc1 16507881 ICRKURMAYNKDTQ-UHFFFAOYSA-N 374.488 3.788 0 40 FHAB CNc1snc(C)c1C(=O)O[C@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 16552680 IINBSIYGKZQAPV-UZNLNLPZSA-N 362.495 3.824 0 40 FHAB CCCSc1ncc(Cl)c(C(=O)Nc2nnc(C(C)C)s2)n1 16742448 LJYZUPBTSSQHMY-UHFFFAOYSA-N 357.892 3.859 0 40 FHAB O=C(CSc1ccccc1)N1CCC[C@H](n2nccc2C(F)(F)F)C1 95466103 WICJDEHGQNDVQE-ZDUSSCGKSA-N 369.412 3.858 0 40 FHAB COCCOc1ccc(C(=O)Nc2cc(C)nn2-c2ccc(C)cc2)cc1 95956648 ATYNVAREMAHPOQ-UHFFFAOYSA-N 365.433 3.767 0 40 FHAB COc1ccc(C(=O)C2CCN(C(=O)/C=C/c3cccs3)CC2)cc1 9983374 ZTXJZAUSEHGATC-CMDGGOBGSA-N 355.459 3.891 0 40 FHAB COc1ccc(S(=O)(=O)NCCSCc2cccc(C)c2)cc1C 409174446 UCXMMPQRBPYWDF-UHFFFAOYSA-N 365.520 3.524 0 40 FHAB Fc1ccccc1CN1CC[C@]2(C1)CN(Cc1ccccn1)c1cccnc12 306139289 SUBNZJOZMQSWOX-QHCPKHFHSA-N 374.463 3.780 0 40 FHAB Cc1cccc(OCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1 224179610 AMZDNZUMTJDFLP-UHFFFAOYSA-N 374.289 3.800 0 40 FHAB CC(C)(C)C1CCC(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)CC1 408709529 CVGGESLHTJUCOZ-UHFFFAOYSA-N 369.509 3.548 0 40 FHAB O=C1S[C@@H](Cc2ccc3c(c2)OCO3)C(=O)N1c1cccc(Cl)c1 409146564 TXLUVOZWDRZVRS-HNNXBMFYSA-N 361.806 3.880 0 40 FHAB Cc1noc(C(C)C)c1C(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 25540754 QVZRBLKJRORIKY-LJQANCHMSA-N 369.509 3.919 0 40 FHAB CCOC(=O)c1c(NCc2ccccc2OC)c2cccc(C)c2[nH]c1=O 49001446 CIIKSDUTFMWKFF-UHFFFAOYSA-N 366.417 3.634 0 40 FHAB Cn1c(S[C@@H]2CCN(Cc3ccccc3)C2)nnc1-c1ccc(F)cc1 550004159 CWXHWOBTRZLWLK-GOSISDBHSA-N 368.481 3.988 0 40 FHAB CCOC(=O)c1cccc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)c1 408618236 CTEFCTSTDRBTIS-UHFFFAOYSA-N 369.446 3.779 0 40 FHAB CNc1ccc(-c2noc([C@@H]3CCCN3Cc3ccccc3F)n2)cn1 35426108 BONZXBFZDMYBTE-INIZCTEOSA-N 353.401 3.650 0 40 FHAB biogenic,in-vitro Cc1cc(C)c2nc(C3CC3)cc(C(=O)N[C@@H]3CCc4nc[nH]c4C3)c2c1 551779766 SSKVLVXNYKTICV-OAHLLOKOSA-N 360.461 3.739 0 40 FHAB CCCOc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1OCCC 72414187 VLISTBSLVAMAKK-HNNXBMFYSA-N 355.500 3.827 0 40 FHAB Fc1cnc(OC2CCN(Cc3csc(-c4ccccc4)n3)CC2)nc1 1141215172 ZCCMWYAUECIJOA-UHFFFAOYSA-N 370.453 3.783 0 40 FHAB COc1ccccc1[C@H](C)N(C)C(=O)c1ccc(NC(=O)C2CC2)cc1 32796598 YRUCKRCTTADNSH-AWEZNQCLSA-N 352.434 3.877 0 40 FHAB Cc1ccc(OCCNC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 39749507 KRMNSDLNRYXQSJ-UHFFFAOYSA-N 370.468 3.541 0 40 FHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(OC)cc1 224445430 BUXGTEOURQAJSY-SFHVURJKSA-N 363.841 3.701 0 40 FHAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cccc(N2CCCC2=O)c1 224426066 AXEAHHAMSGFWEM-FQEVSTJZSA-N 364.445 3.629 0 40 FHAB COc1cccc2cc(C(=O)N3CC[C@@H](c4ccc5c(c4)OCO5)C3)oc12 225676553 SKPXAUYPXIDIEK-OAHLLOKOSA-N 365.385 3.800 0 40 FHAB CCOc1ccc(-c2nc(N)cc(Nc3cccc(C(=O)O)c3)n2)cc1 49468125 CQOHFTWMCCJNBQ-UHFFFAOYSA-N 350.378 3.566 0 40 FHAB CN(Cc1ccon1)C(=O)Nc1ccccc1-c1ncc2n1CCCC2 570796101 OEJIIYDJSLDNDI-UHFFFAOYSA-N 351.410 3.538 0 40 FHAB CC(C)c1ccccc1OCCNS(=O)(=O)Cc1ccccc1Cl 223777815 DUDZHEXHESMJRA-UHFFFAOYSA-N 367.898 3.962 0 40 FHAB CCOc1ccc(CNC(=O)COc2cccc(C)c2C)cc1OCC 222817526 DYFFRJWPCMRLSB-UHFFFAOYSA-N 357.450 3.796 0 40 FHAB COc1ccc(CCC(=O)Nc2nnc(SC(C)C)s2)cc1C 224244641 FNZSNRYQVODREB-UHFFFAOYSA-N 351.497 3.927 0 40 FHAB C[C@@H](NC(=O)Nc1ccc(I)cc1)c1ccco1 48366836 IVMTVOJYYDVAOL-SECBINFHSA-N 356.163 3.767 0 40 FHAB CC1(C)CCc2cc(S(=O)(=O)NCc3ccc(Cl)cc3)ccc2O1 223704536 XNHDJXKIFLTLGW-UHFFFAOYSA-N 365.882 3.922 0 40 FHAB Cc1cccc(CNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c1 223416032 OMTMGZIYCMBQRS-ZHZULCJRSA-N 360.413 3.675 0 40 FHAB Cc1cccc(C2(C(=O)Nc3ccc(OCC(N)=O)cc3)CCCCC2)c1 49650983 VGRKSKAAASDCMN-UHFFFAOYSA-N 366.461 3.700 0 40 FHAB CCOC(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2C)ccc1Cl 225595731 GFOCMFUKGNQPKW-UHFFFAOYSA-N 371.817 3.765 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCc3cc(Br)ccc32)cc1 49306540 BJSKFNBHWVSLDC-UHFFFAOYSA-N 352.253 3.509 0 40 FHAB CC(C)(C)CCN1CC[C@@](C)(O)[C@@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 514289976 RYCFCZUAKWLYAM-CNNODRBYSA-N 358.526 3.515 0 40 FHAB biogenic,in-vitro COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)c2ccoc2C2CC2)cc1 583622206 ZGUMJWQJNOVSNE-GHTZIAJQSA-N 355.434 3.678 0 40 FHAB C[C@@H](NC(=O)N1CCO[C@H](c2cccc(Cl)c2)C1)c1cncc(F)c1 331642965 VECBBIQCGTZEDB-PXAZEXFGSA-N 363.820 3.718 0 40 FHAB O=C(O)c1cc(I)c(Cl)c(Cl)c1Cl 98175163 BIELNUGAILPXEH-UHFFFAOYSA-N 351.354 3.950 0 40 FHAB COc1ccc(-c2ccnc3nc(CCC4CCCC4)nn23)cc1OC 95477951 POHQYNHLQMCDMG-UHFFFAOYSA-N 352.438 3.931 0 40 FHAB CCN(C)[C@H]1CN(C(=O)CCc2ccc(OC)cc2)C2(CCCCC2)C1 257239220 HOLBDFOSOPORRF-LJQANCHMSA-N 358.526 3.883 0 40 FHAB CC1(c2ncc(Cc3ccccc3)o2)CCN(C(=O)c2ccccn2)CC1 257321779 WDFBLXRJRCEFTG-UHFFFAOYSA-N 361.445 3.854 0 40 FHAB CCn1c(SCc2cc(-c3ccco3)on2)nnc1-c1ccncc1 25062629 ANQIMQJLNXCSJD-UHFFFAOYSA-N 353.407 3.900 0 40 FHAB Cc1oc2ncnc(O)c2c1C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 621253309 PZDYYKAISJHGQP-CQSZACIVSA-N 351.406 3.779 0 40 FHAB Cc1noc(C)c1COc1ccccc1C(=O)NC/C=C/c1cccnc1 646403888 FWMUBSZGXWIXNZ-SOFGYWHQSA-N 363.417 3.709 0 40 FHAB O=C(O)c1cccc(CC(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 679093292 LHYBJNMULIYKDD-GOSISDBHSA-N 362.429 3.815 0 40 FHAB C[C@H](c1ccccc1)N1CCOC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 585104212 KVOGVFDFGQFHAG-VGSWGCGISA-N 368.452 3.642 0 40 FHAB O=C(c1ccnc(F)c1)N1CC[C@@H](OCC2CC2)[C@H](Cc2ccccc2)C1 585113417 CWZROJRJAFDQHX-WOJBJXKFSA-N 368.452 3.721 0 40 FHAB C[C@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)[C@H]1C[C@H]2CC[C@H]1C2 104004827 PAMHQJDEOXYCIL-NXNVCVFFSA-N 360.523 3.541 0 40 FHAB CCN(C)C[C@@H]1CCN([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 106920914 XJJBWQQJHGVOFC-OLZOCXBDSA-N 358.313 3.594 0 40 FHAB CCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(-c2cnc(C)o2)cc1 79810651 OBGUAAAPZGOSEN-KRWDZBQOSA-N 355.438 3.770 0 40 FHAB O=C(CSc1nccnc1N1CCCCC1)NCCC1=CCCCC1 85558590 QFJPUGJRBMWWQG-UHFFFAOYSA-N 360.527 3.566 0 40 FHAB Cc1cc(Br)ccc1NC(=O)COC(=O)/C=C/c1ccccc1 6038058 IRWVVVQDLXAEPG-JXMROGBWSA-N 374.234 3.953 0 40 FHAB CC(=O)N[C@@H](CCc1ccc(Cl)c(Cl)c1)c1cccc(O)c(=O)c1 5663063 MIGSPHGJQIIJCX-INIZCTEOSA-N 366.244 3.869 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc2c(c1)C[C@@H](C)O2)CC3 19497962 KBXLZSDIFXYCNN-CYBMUJFWSA-N 362.429 3.698 0 40 FHAB Cc1nn(C)c(C)c1CC(=O)N1CCC(c2nc3ccccc3s2)CC1 10132836 BOHODOOXVYJDGY-UHFFFAOYSA-N 368.506 3.595 0 40 FHAB COc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2cccs2)o1 6462811 LXELWHFQAQEDJC-JTQLQIEISA-N 361.448 3.926 0 40 FHAB Cc1cnc(Nc2cccc([C@@H]3CN(C(=O)C(C)(C)C)CCO3)n2)s1 2037834819 TXLPNUOFMAHVGW-AWEZNQCLSA-N 360.483 3.536 0 40 FHAB O=C(N[C@H](c1cccs1)C1CCOCC1)c1ccc2nccnc2c1 1565523445 PAFBYXDFLJZZBF-SFHVURJKSA-N 353.447 3.589 0 40 FHAB C[C@@H](SC1=NCCN1S(=O)(=O)c1ccc(F)cc1)c1ccccc1 2711465 KNWCMLRUVWCFBT-CYBMUJFWSA-N 364.467 3.680 0 40 FHAB COc1ccc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)c(OC)c1 4224000 QAZGJIBPEWSDMM-UHFFFAOYSA-N 368.414 3.972 0 40 FHAB C[C@@H](NC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1 5195857 GJTABTPUGRYYJH-CZUORRHYSA-N 357.841 3.506 0 40 FHAB CC(C)C1CCC(C(=O)N[C@H](C(=O)NCCc2ccccc2)C(C)C)CC1 9195236 WWAUBFAKKZEAOG-CBNMVNINSA-N 372.553 3.949 0 40 FHAB CC(C)n1nc(CN2CCCC2)c2c1CN(Cc1ccc(F)c(F)c1)CC2 2055718373 KTFUHXDRLQDHHX-UHFFFAOYSA-N 374.479 3.896 0 40 FHAB O=C(NCc1cncc(-c2ccsc2)c1)c1cc(=O)c2ccccc2o1 218808185 GNJIWCZEVMLWEP-UHFFFAOYSA-N 362.410 3.847 0 40 FHAB CC(C)c1cccc(OCC(=O)Nc2cccc(CN3CCCC3=O)c2)c1 40087609 YDSDDLCEPMBPTF-UHFFFAOYSA-N 366.461 3.950 0 40 FHAB c1coc(Cn2c(SCc3cn4ccccc4n3)nnc2C2CC2)c1 40159145 SBKRZJQRNFELQR-UHFFFAOYSA-N 351.435 3.737 0 40 FHAB O=C(CCC(=O)c1cccs1)Nc1ccc(Oc2cnccn2)cc1 40107167 MBKJQDUPXBPHRD-UHFFFAOYSA-N 353.403 3.932 0 40 FHAB Cc1ccc(-n2nnc(C(=O)N[C@H](C)c3ccc(F)cc3)c2C)cc1C 51318259 XHYZGPUOADTGKV-CQSZACIVSA-N 352.413 3.823 0 40 FHAB CCn1cc(C(=O)Nc2cccc3ncccc23)c(=O)c2ccc(C)nc21 20730906 BXFQPOULOONLEO-UHFFFAOYSA-N 358.401 3.525 0 40 FHAB CN(C(=O)c1cn(C)nc1-c1ccc2c(c1)OCCCO2)c1ccccc1 20890458 YQHFAKASBGJMOP-UHFFFAOYSA-N 363.417 3.525 0 40 FHAB CCCCCNC(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 101926766 JGYNQPMWCSGNBS-IRXDYDNUSA-N 366.452 3.765 0 40 FHAB CC(C)Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(c3cnccn3)C2)cc1 32777419 IUOGKEMPMIOZKI-YLJYHZDGSA-N 366.509 3.769 0 40 FHAB CCc1ccc2oc(C(=O)NCCOc3ccc(Cl)cc3)cc(=O)c2c1 41157546 GRUSCQTZUBUNIY-UHFFFAOYSA-N 371.820 3.818 0 40 FHAB C/C=C/c1cc(C(=O)NCCSCc2ccco2)cc(OC)c1OC 32841527 WBFJQTSDXLZRTC-GQCTYLIASA-N 361.463 3.993 0 40 FHAB Cc1c(C(=O)NC2CCN(Cc3ccccn3)CC2)oc2c(C)cccc12 53083753 XWVJWUSGMXYNJV-UHFFFAOYSA-N 363.461 3.839 0 40 FHAB C[C@H]1CCc2[nH]c3ccc(C(=O)NC[C@@H](c4ccco4)N(C)C)cc3c2C1 22130839 CDCDUBVJEDNQIG-XOBRGWDASA-N 365.477 3.918 0 40 FHAB CN(Cc1ccnn1C)C(=O)c1ccccc1COc1ccc(F)cc1F 2787838 HBNCPKPYWDFZND-UHFFFAOYSA-N 371.387 3.550 0 40 FHAB Cc1nn(C)c(C)c1NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 22838233 ZBZBFRKGBUCKRV-UHFFFAOYSA-N 354.458 3.738 0 40 FHAB COc1ccc2c(c1)CCc1c(C(=O)Nc3cccc(C(C)=O)c3)noc1-2 3909502 WLSIHIIITRHWJC-UHFFFAOYSA-N 362.385 3.904 0 40 FHAB CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(C)cc2C)cc1 6202866 VJFHYXGUJAWJRA-UHFFFAOYSA-N 355.463 3.779 0 40 FHAB Cc1cccc(C(=O)NC(=S)Nc2cccc(-c3ccc(CO)o3)c2)c1 6267949 KUULUCLYIXUNPA-UHFFFAOYSA-N 366.442 3.874 0 40 FHAB O=C(Nc1ccc(Br)cc1)c1cnn(Cc2ccccc2)c1 7069719 PFFILDBFJOHFIY-UHFFFAOYSA-N 356.223 3.946 0 40 FHAB COc1ccc2cc([C@H](C)C(=O)NCc3c(C)cc(C)[nH]c3=O)ccc2c1 7118471 GOZAOFFSALIXLO-HNNXBMFYSA-N 364.445 3.573 0 40 FHAB Cc1cc(C(=O)NCc2ccccc2OC(F)F)c2cnn(C(C)C)c2n1 10115203 XQKJVQBBPUZRMN-UHFFFAOYSA-N 374.391 3.852 0 40 FHAB CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2cccs2)NC(=S)N1 1252700 LRQARDBRBYBTLE-INIZCTEOSA-N 357.504 3.796 0 40 FHAB O=S(=O)(NCc1ccc(-n2ccnc2)cc1)c1ccc2ccccc2c1 20112396 GYIQEHSEHLBVEH-UHFFFAOYSA-N 363.442 3.504 0 40 FHAB O=C(COc1cccc(Cl)c1)N[C@H](Cc1ncc[nH]1)c1ccccc1 12541410 REJKTEHCUZHVIZ-QGZVFWFLSA-N 355.825 3.542 0 40 FHAB COc1ccccc1C1(CNc2nccc(C(F)(F)F)n2)CCOCC1 57150142 UGEACQFRUOZOAJ-UHFFFAOYSA-N 367.371 3.664 0 40 FHAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)N[C@H](C1CCCC1)C(F)(F)F 108396336 GRTXTPCQUUMRMH-WMLDXEAASA-N 369.431 3.933 0 40 FHAB CCC[C@H](C)NC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 27463404 BITLTGANUZSNSZ-ZANVPECISA-N 360.401 3.813 0 40 FHAB O=C(CSc1cccc[n+]1[O-])Nc1cccc(Oc2ccccc2)c1 3223373 LQYIWYKXHFUTKX-UHFFFAOYSA-N 352.415 3.843 0 40 FHAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(C)CCc4ccccn4)[C@H]3C=C12 12659878 WKHUDKYPKFTYKS-FEJROSIGSA-N 368.521 3.870 0 40 FHAB biogenic Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC(N2CCCCC2)CC1 58282468 WPJKKCZFEKYZNV-UHFFFAOYSA-N 367.493 3.669 0 40 FHAB COc1ccc2c(-c3cc4cccc(OC)c4oc3=O)cc(=O)oc2c1 2157605 WCFGPFBSJZYJML-UHFFFAOYSA-N 350.326 3.584 0 40 FHAB biogenic O=C(Nc1ccc(-n2cc(Cl)cn2)cc1)c1cc(-c2ccco2)[nH]n1 28241833 OHRJNLPYUUIMNG-UHFFFAOYSA-N 353.769 3.761 0 40 FHAB O[C@@H](c1ccccc1)C1CCN(Cc2csc(-c3ncccn3)n2)CC1 48234780 ACIMQDYISKEHQC-SFHVURJKSA-N 366.490 3.546 0 40 FHAB CCCC[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(N)=O 58308989 RAYDGCXTRBZZCD-MRXNPFEDSA-N 359.495 3.648 0 40 FHAB CCc1ccc(-c2noc(CCC(=O)NCc3ccccc3OC)n2)cc1 12744653 CGNMRUSOADZCQM-UHFFFAOYSA-N 365.433 3.557 0 40 FHAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)COc2ccc(Cl)cc2)C1 11001700 OEGOFJRHWRUWOW-HNNXBMFYSA-N 372.852 3.596 0 40 FHAB COc1ccccc1OCC(=O)N[C@H](C)c1ccc(Br)cc1 3383370 FYACIFSDCNLXCW-GFCCVEGCSA-N 364.239 3.714 0 40 FHAB CCOC(=O)Nc1cccc(NCC(=O)N2CCc3ccccc32)c1C 59930635 VVPRAJLQBFTILU-UHFFFAOYSA-N 353.422 3.565 0 40 FHAB COc1ccc(-c2ccc(CCC(=O)Nc3c(C)nn(C)c3C)o2)cc1 48354874 PRCNAMCVYXWAKF-UHFFFAOYSA-N 353.422 3.877 0 40 FHAB CC(C)CNC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 2664882 ZZUSDLHBFMKQGO-UHFFFAOYSA-N 368.458 3.892 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)N[C@H](C)c1cc2ccccc2o1 12882739 YFVVIGAEELGWFD-CYBMUJFWSA-N 367.401 3.900 0 40 FHAB Cc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1-c1ccccc1 3409934 PLCBFJCGTTUMSI-AWEZNQCLSA-N 352.463 3.545 0 40 FHAB O=C(NC(C1CC1)C1CC1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 48445353 UZEXGWSLHYBDEW-IBGZPJMESA-N 364.493 3.797 0 40 FHAB CN(C)C1(CNC(=O)/C=C/c2cnn(-c3ccccc3)c2)CCCCCC1 12951329 FVUMFYVNWFVRNB-OUKQBFOZSA-N 366.509 3.656 0 40 FHAB Cc1ccc(CSc2nnc(-c3cc(-c4ccccc4)n[nH]3)n2N)cc1 9014598 CDJHFOPRNRDLKI-UHFFFAOYSA-N 362.462 3.650 0 40 FHAB O=C(CCc1nc2ccccc2s1)Nc1nnc([C@H]2CCCO2)s1 71288479 DIDJPQBSELVHJG-LLVKDONJSA-N 360.464 3.571 0 40 FHAB CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3C)cc2)CC1 4109411 NVTHTMGEUVYXRF-UHFFFAOYSA-N 365.477 3.696 0 40 FHAB O=C(c1ccc(-c2ccc(F)cc2)s1)N1CCCN(CC(F)F)CC1 95452354 AWMGMVFAKCMJSO-UHFFFAOYSA-N 368.424 3.967 0 40 FHAB Cc1ccc(COc2ccc3ccccc3c2/C=C2\NC(=O)NC2=O)cc1 14011325 CEQVWTCNBGGZKR-UNOMPAQXSA-N 358.397 3.908 0 40 FHAB Cc1cc(C)cc(-n2nc(C)cc2NC(=O)c2ccc([S@@](C)=O)cc2)c1 65567586 YSCBCXZQZAZJHM-SANMLTNESA-N 367.474 3.787 0 40 FHAB O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)NC1CCCCC1 14113883 LCFZCLRDGWUFGC-MRXNPFEDSA-N 372.412 3.885 0 40 FHAB C[C@@H]1CN([C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C[C@@H](C)O1 14158943 XMCFMQAXWOYPAK-GMTAPVOTSA-N 364.795 3.795 0 40 FHAB CN(C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccccc1 14166743 CWPKTMQWWKXHOM-UHFFFAOYSA-N 369.424 3.721 0 40 FHAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(NC(C)=O)cc2)cc1Cl 14136404 BODVQXKBIYPFAS-LLVKDONJSA-N 362.813 3.713 0 40 FHAB CC(C)c1n[nH]c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)n1 6459478 KIJHWSMTMYJFOB-UHFFFAOYSA-N 360.361 3.558 0 40 FHAB NC(=O)c1c(NC(=O)Cc2ccc(Cl)c(Cl)c2)sc2c1CCC2 6480311 AMLACIRPNMUYRS-UHFFFAOYSA-N 369.273 3.824 0 40 FHAB C[C@@H]1C[C@@H](c2ccccc2)n2ncnc2N1C(=O)c1ccccc1Cl 4732681 MAGHZXGXWXWLRK-DYVFJYSZSA-N 352.825 3.960 0 40 FHAB COc1cccc(NC(=O)CN(C)Cc2csc(-c3ccccc3)n2)c1 9387745 XWJULZPQXSRDOU-UHFFFAOYSA-N 367.474 3.889 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccccc1F 9363869 KKTNQPCCNYCLDS-SFHVURJKSA-N 357.816 3.661 0 40 FHAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)NCc1ccco1 4997116 GTALMZBVZACSDN-LLVKDONJSA-N 368.418 3.608 0 40 FHAB Cc1csc2nc(CNc3ccccc3N3CCCCC3)cc(=O)n12 15357059 WQGJKKPYPIXWFS-UHFFFAOYSA-N 354.479 3.667 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)c(Br)c1 7057115 NZAJCGFJFOTKJK-UHFFFAOYSA-N 362.195 3.837 0 40 FHAB CCCc1c(C(=O)OCC)cnc2nc(SCc3ccccc3)nn12 9304011 MXZJTQHYPWMWAH-UHFFFAOYSA-N 356.451 3.546 0 40 FHAB COC(=O)c1cc(OC)c(OC)cc1NC(=S)N[C@@H](C)c1ccccc1 9482166 FZZATBLUNCZMOI-LBPRGKRZSA-N 374.462 3.538 0 40 FHAB O=C(/C=C/c1c(Cl)nc2ccccn12)NCCc1c[nH]c2ccccc12 15615985 HFFGOQPWJKLHNW-CMDGGOBGSA-N 364.836 3.841 0 40 FHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1ccc(Cl)cc1 7444488 LNRMDHWJFATVBT-CQSZACIVSA-N 371.868 3.536 0 40 FHAB Cc1cc(=O)c(C(=O)Nc2ccc(F)cc2)nn1-c1ccccc1Cl 7666921 IWHHDXNUUCOODQ-UHFFFAOYSA-N 357.772 3.586 0 40 FHAB CC(C)Cn1c(SCc2nnnn2-c2ccccc2)nc2ccccc21 9514616 RNIDLVKOPFVETB-UHFFFAOYSA-N 364.478 3.960 0 40 FHAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2cc(C)cc(C)c2)CC1=O 7881894 DOHMZSADKFYEEI-AWEZNQCLSA-N 372.852 3.957 0 40 FHAB C[C@@H]1CC(=O)NCCN1c1ncnc2scc(-c3ccc(Cl)cc3)c12 71889400 ROIPMZGENZSYRH-LLVKDONJSA-N 372.881 3.727 0 40 FHAB O=S(=O)(c1ccc(Cl)s1)N(Cc1ccco1)Cc1ccco1 8133134 PPEJKQCGJWZEAI-UHFFFAOYSA-N 357.840 3.979 0 40 FHAB O=C(Cc1ccccc1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 8328795 HFHDTCSJFRABKR-UHFFFAOYSA-N 374.396 3.849 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)N1CCN(c2ccccc2F)CC1 17116103 NWLHBDBOTPBRDG-KRWDZBQOSA-N 355.457 3.679 0 40 FHAB COc1cc(SC)ccc1C(=O)NC[C@@H](c1ccco1)N1CCCC1 8428969 ICCLXPPYDSFHFP-INIZCTEOSA-N 360.479 3.577 0 40 FHAB COc1cc2ccccc2cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 17701835 MHBUXFIHOVRGPW-HXUWFJFHSA-N 360.457 3.853 0 40 FHAB COc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)cc1F 98212257 RISSXUDOZUDYAW-MRXNPFEDSA-N 367.380 3.862 0 40 FHAB C[C@@H](Cn1cncn1)Nc1ncnc2scc(-c3ccc(F)cc3)c12 95957006 QWTHBXUBZUQMIE-NSHDSACASA-N 354.414 3.590 0 40 FHAB CC(=O)Nc1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1Cl 9902879 PVOKUZPJCLWCQO-UHFFFAOYSA-N 356.813 3.746 0 40 FHAB O=S(=O)(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)c1cccnc1 75107935 LKKLNMDZNMOXBI-UHFFFAOYSA-N 356.451 3.806 0 40 FHAB FC(F)(F)c1cccc(CN2CCN(c3nncc4ccccc34)CC2)c1 89873294 RLEDVHDCVBUPLD-UHFFFAOYSA-N 372.394 3.971 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1Cl 408589783 FMUUNIWNSDSFOR-UHFFFAOYSA-N 355.843 3.857 0 40 FHAB CCC[C@@H](C)NC(=O)c1sc2nc(Cc3ccccc3)[nH]c(=O)c2c1C 22461833 HETUPFBMLLVRQF-GFCCVEGCSA-N 369.490 3.802 0 40 FHAB CCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)C1=Cc2ccccc2CC1 39976051 MPXFIIKXTAYLOO-UHFFFAOYSA-N 371.458 3.554 0 40 FHAB C[C@H](c1nnc(-c2cccs2)o1)N1CCN(CCc2ccccc2)CC1 32853373 VYZGRXAXLMUKPP-MRXNPFEDSA-N 368.506 3.719 0 40 FHAB CC[C@@H](NC(=O)[C@H](C)n1ccc(C(F)(F)F)n1)c1cc(F)ccc1OC 1535387403 OBXGKDKHTVKFML-GXFFZTMASA-N 373.350 3.878 0 40 FHAB COc1ccc(CN2C[C@@H](c3ccn[nH]3)[C@H](c3ccccc3)C2)c(OC)c1 72395174 YVJXWOMERAEZSV-VQTJNVASSA-N 363.461 3.810 0 40 FHAB Cc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccccc3Cl)n2)cc1 219061920 OIECDVACAIOUHH-CYBMUJFWSA-N 371.824 3.782 0 40 FHAB O=C(NCCc1ccccc1)c1cccc(OCc2cn3ccccc3n2)c1 25464552 CCYDNLDSJRRPQZ-UHFFFAOYSA-N 371.440 3.886 0 40 FHAB COc1cccc(N2CCN(CC(=O)c3c[nH]c4ccccc34)C[C@@H]2C)c1 35369398 GMGYONSXGWPXST-INIZCTEOSA-N 363.461 3.570 0 40 FHAB COc1cccc(CN2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)c1 72390035 CTNPLZQFQPCOKQ-INIZCTEOSA-N 350.422 3.520 0 40 FHAB CSc1nc(Cl)cc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1 72203248 ZRWBQNWPTYDHKQ-LLVKDONJSA-N 372.922 3.688 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1CN1CCCC1 224787814 OYCOFXJQYHGPAL-NRFANRHFSA-N 370.468 3.895 0 40 FHAB COCCOc1ccc([C@H](C)NC(=O)c2ccc(C)c(F)c2)cc1OC 49160033 OPJSMCIZDFGPDR-AWEZNQCLSA-N 361.413 3.659 0 40 FHAB CCN(CC)C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)c(C)c1 224204151 KKZHJZGRDIDTDV-UHFFFAOYSA-N 374.506 3.611 0 40 FHAB Cc1cc(S(=O)(=O)NCCOc2ccccc2C(C)(C)C)ccc1F 223741786 DLTOPTOXXBCWBE-UHFFFAOYSA-N 365.470 3.789 0 40 FHAB COc1ccc(C(=O)Nc2nnc(SCC(C)C)s2)cc1OC 223135413 PVAGOKSODWQILT-UHFFFAOYSA-N 353.469 3.556 0 40 FHAB COc1ccc(CC(=O)Nc2ccnn2Cc2cccc(C)c2)cc1F 40072339 WQQRAKUSHVHYIG-UHFFFAOYSA-N 353.397 3.569 0 40 FHAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OC)c(C(=O)OCC)c1 225842184 AEDMDTNWVAXZAQ-LJQANCHMSA-N 351.443 3.796 0 40 FHAB Cc1cc(C(=O)N2C[C@H]3CCC[C@@]3(COCc3ccccn3)C2)c(C)o1 96111049 KWQUOQBPBBUMMW-UTKZUKDTSA-N 354.450 3.751 0 40 FHAB Fc1ccc(CC2CCN(c3nccc(-c4cnccn4)n3)CC2)cc1F 578594238 YXORJDRQWQMZQD-UHFFFAOYSA-N 367.403 3.671 0 40 FHAB C[C@@H](Oc1ccccc1Cl)C(=O)N(C)Cc1nc(-c2ccccc2)no1 95482303 BOXOWAXDLRUSFN-CYBMUJFWSA-N 371.824 3.816 0 40 FHAB Cc1noc(C)c1-c1cccc(C2CCN(C(=O)c3cscn3)CC2)n1 257266849 MEVKPKQGMLDBMZ-UHFFFAOYSA-N 368.462 3.830 0 40 FHAB Cc1cnc(Nc2nccnc2[C@@H]2CCCN(Cc3cncs3)C2)s1 257235828 GZRUFIOIFWPSOY-CYBMUJFWSA-N 372.523 3.821 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1-c1ccnc(NCCCCCO)n1 48175469 QYIVBICWOVGLSM-UHFFFAOYSA-N 351.454 3.521 0 40 FHAB Cc1cc(N2C[C@@H](C(=O)N(C)Cc3ccccc3Cl)CC2=O)ccc1F 1124160190 AJNOKTOUJQIYFV-HNNXBMFYSA-N 374.843 3.799 0 40 FHAB C[C@@H]1CC[C@@H](O)CN1Cc1cc(Br)cc(Br)c1 1137842900 JBOHGAPGLVYXQE-NOZJJQNGSA-N 363.093 3.557 0 40 FHAB C[C@@H]1CN(C(=O)c2ccc(CN[C@H](C)C(C)(C)C(F)F)cc2)C[C@@H](C)O1 657855553 GQQGNEQSUUBBPW-RBSFLKMASA-N 368.468 3.705 0 40 FHAB CO[C@@H](CNC(=O)c1cc(-c2ccc(F)cc2)nn1C)c1ccc(C)s1 96104753 DISLYWQGDPOMFR-KRWDZBQOSA-N 373.453 3.714 0 40 FHAB COc1cccc([C@H](CNC(=O)c2cccc(Br)c2)OC)c1 96389989 DAGZMUGQZNCJGR-INIZCTEOSA-N 364.239 3.575 0 40 FHAB CC1(C)[C@@H](NC(=O)Nc2ccccc2CS(C)(=O)=O)[C@@H]1c1ccccc1 585123659 XAVDXYCMRVYSQC-ROUUACIJSA-N 372.490 3.545 0 40 FHAB Cc1nc(C(=O)N2CC[C@@H](OCC3CC3)[C@H](Cc3ccccc3)C2)cs1 585113457 KJAKWVBQWJEDML-UYAOXDASSA-N 370.518 3.952 0 40 FHAB CCC(=O)Nc1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1C 44660353 CRICZULQGQSIDV-UHFFFAOYSA-N 366.465 3.981 0 40 FHAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2c(C)[nH]c3ccccc23)C1=O 7070943 PFXGHMHISTXNJB-LKBVRNOZSA-N 372.446 3.854 0 40 FHAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(=O)n(Cc2ccccc2)n1 11781281 HYGHBPRLJIDSDC-UHFFFAOYSA-N 374.227 3.851 0 40 FHAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 15539369 UTENGASAOWUTQO-UHFFFAOYSA-N 359.813 3.616 0 40 FHAB CCCc1cc(-c2cc(O)n3nc(COC)c(-c4ccccc4)c3n2)no1 19525428 YPUFJOZCUBSWBO-UHFFFAOYSA-N 364.405 3.856 0 40 FHAB Cc1ncsc1-c1nnc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)o1 19562914 JISRJTZFKOXWKH-AWEZNQCLSA-N 372.425 3.547 0 40 FHAB COc1ccc([C@@H](NC(=O)c2cc(C)nc3onc(C)c23)C2CC2)cc1 19715834 WIEFGNFFYJVCJW-SFHVURJKSA-N 351.406 3.729 0 40 FHAB CCCCN1C(=O)CCc2cc(NS(=O)(=O)C3CCCCC3)ccc21 8840763 BCZGWCXTNOMGLF-UHFFFAOYSA-N 364.511 3.840 0 40 FHAB COc1ccc(-c2cc(CNC(=O)CC3CCCCC3)no2)cc1OC 12638439 ALEBVNVNJFZMQA-UHFFFAOYSA-N 358.438 3.945 0 40 FHAB Cc1cnc(CCNC(=O)N2CCC(c3cccc(Cl)c3)CC2)cn1 562615981 DRCDYEXLNGXBFO-UHFFFAOYSA-N 358.873 3.570 0 40 FHAB O=C(COC(=O)Cc1cccc2ccccc12)Nc1cccnc1Cl 3508111 PCPBOBUUVQMEFE-UHFFFAOYSA-N 354.793 3.613 0 40 FHAB CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 39773252 ZSOHRCJQZGHOHS-UHFFFAOYSA-N 366.461 3.714 0 40 FHAB Cc1ccc(NC(=O)N[C@@H]2CC(=O)N(c3cccc(F)c3)C2)cc1Cl 5194013 UCEYSKVTNFRVOP-CQSZACIVSA-N 361.804 3.715 0 40 FHAB Cn1cc(NC(=O)N2CCN(c3ccccc3F)CC2)c2ccccc21 5265607 BOLHIURLNUOVNT-UHFFFAOYSA-N 352.413 3.672 0 40 FHAB Cc1cccc2sc(N(CCN(C)C)C(=O)Cc3ccc(F)cc3)nc12 5268256 JXROGQVEMNDXQT-UHFFFAOYSA-N 371.481 3.881 0 40 FHAB Cn1nccc1-c1ccc(CNC(=O)NCc2cccc3ccccc23)cn1 575619046 GDCYJHGPACOFEF-UHFFFAOYSA-N 371.444 3.635 0 40 FHAB Cc1cnc(OC2CCN(Cc3cc(Br)cs3)CC2)nc1 653801543 LEYZFRKJOCFGKQ-UHFFFAOYSA-N 368.300 3.652 0 40 FHAB O=C(O)c1cc(S(=O)(=O)Nc2ccc3ccccc3c2)ccc1Cl 13340228 ATUZCKGMWLUTBH-UHFFFAOYSA-N 361.806 3.992 0 40 FHAB Cc1cc([C@@H](C)NC(=O)[C@@H](C)NC(=O)/C=C/c2ccccc2)c(C)s1 40080890 OIKCEJDVZGFSIX-UWLACMPISA-N 356.491 3.760 0 40 FHAB C[C@H](NC(=O)NCc1ccc(Cn2ccnc2)cc1)c1ccc(F)cc1 40071252 NWJBVKULOJSMLR-HNNXBMFYSA-N 352.413 3.631 0 40 FHAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(c3ncccc3Cl)C2)cc1 40134909 XKZZUXPRSYSTMU-CQSZACIVSA-N 372.856 3.549 0 40 FHAB CCc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 20112741 PFVHWLQZPXIAEQ-QGZVFWFLSA-N 367.445 3.788 0 40 FHAB biogenic CCc1ccc(N2C[C@H](C(=O)N(Cc3cccs3)C3CC3)CC2=O)cc1 30841754 BMTWVBNVYMAEEN-MRXNPFEDSA-N 368.502 3.855 0 40 FHAB Cc1ccc(-c2csc3[nH]c(SCCC(=O)O)nc(=O)c23)c(C)c1 20379822 YCLCMHJXHKCBFM-UHFFFAOYSA-N 360.460 3.835 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)Nc1noc(-c2cccc(Cl)c2)n1 32623632 NPAADPHJKJXDBO-LLVKDONJSA-N 373.796 3.805 0 40 FHAB CCCn1nnc(NCc2ccc(OCc3cccc(C)c3)c(OC)c2)n1 32617022 LOOPJLKRARWDOT-UHFFFAOYSA-N 367.453 3.591 0 40 FHAB O=C1C[C@H](C(=O)N(Cc2ccccc2)c2ccccn2)CN1c1ccccc1 21346371 ZDOWTJMXVAFAJS-IBGZPJMESA-N 371.440 3.668 0 40 FHAB Cc1c(C(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)oc2ccc(F)cc12 69950633 WVINQSZSEABRHI-JKIFEVAISA-N 374.456 3.594 0 40 FHAB C[C@@H](Sc1ccccc1)C(=O)N(C)Cc1nc(-c2cccs2)no1 78579166 YXHSLWMEXUIRNG-GFCCVEGCSA-N 359.476 3.937 0 40 FHAB CCOC(=O)c1oc2ccccc2c1COC(=O)Cc1ccccc1OC 22440631 PPQXACDPUZEBIW-UHFFFAOYSA-N 368.385 3.904 0 40 FHAB S=C(NCc1ccccc1)Nc1ccccc1I 3326433 IFVOMFIDRUTYJA-UHFFFAOYSA-N 368.243 3.778 0 40 FHAB CSCC[C@H](NC(=O)c1ccccc1)c1nc(-c2ccccc2)no1 4383487 PRBBLRISDHNKMB-INIZCTEOSA-N 353.447 3.961 0 40 FHAB C[C@H](OC(=O)c1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc(F)cc1 22975806 SIYKLCICWSEKHU-STQMWFEESA-N 354.381 3.730 0 40 FHAB CCc1cc2ccc(C)c(C)c2nc1SCC(=O)Nc1nonc1C 4849428 TYWYREXZHHAJCH-UHFFFAOYSA-N 356.451 3.836 0 40 FHAB O=S(=O)(Nc1ccc(OC(F)F)cc1)c1cccc2cccnc12 6416289 YKMLNOALIQWIBL-UHFFFAOYSA-N 350.346 3.637 0 40 FHAB COc1ccc([C@H](CNc2ncnc3sccc23)N2CCCC2)cc1 6941141 GHBHUIZSQJQIRS-KRWDZBQOSA-N 354.479 3.949 0 40 FHAB Cc1[nH]c2ccccc2c1CNC[C@H](c1cccs1)N1CCOCC1 23249350 MVTGEXZDOROFHF-LJQANCHMSA-N 355.507 3.701 0 40 FHAB O=C(Nc1cccc(CNc2nccc(C(F)(F)F)n2)c1)c1ccncc1 54836926 AWEUMSVFQYPYAE-UHFFFAOYSA-N 373.338 3.755 0 40 FHAB COc1ccc(CSCC(=O)NCCSCc2ccco2)cc1 24605879 BHCWTSYKFFEFRH-UHFFFAOYSA-N 351.493 3.571 0 40 FHAB O=C1Cc2cc(-c3csc(Nc4ccc5c(c4)OCCO5)n3)ccc2N1 8776554 YWHQRTTWDPGLBV-UHFFFAOYSA-N 365.414 3.820 0 40 FHAB Cc1ccc(C)c(NC(=O)[C@@H](C)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)c1 56172212 KTBCDSDRBRUTJK-HZPDHXFCSA-N 365.477 3.866 0 40 FHAB O=C(COC(=O)c1ccc(Br)cc1)Nc1ccccc1Cl 1993672 PVMKYORQAODJMG-UHFFFAOYSA-N 368.614 3.898 0 40 FHAB COc1cc(OC)c(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1Cl 12774907 YNEPHNLOLUENII-SECBINFHSA-N 370.236 3.845 0 40 FHAB COC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1 27582415 QTJNRYRVMPJQOS-UHFFFAOYSA-N 350.374 3.997 0 40 FHAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2OC2CCCC2)c1 58283812 RXJJJAZIFCIMTF-UHFFFAOYSA-N 374.462 3.632 0 40 FHAB Cn1ccnc1[C@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccccc1 58217813 KKYAIEKTRKZKKB-OAQYLSRUSA-N 374.488 3.535 0 40 FHAB CC1CCN(Cc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)CC1 20038972 WXYZJXTZTXKIOK-UHFFFAOYSA-N 352.434 3.900 0 40 FHAB COc1ccc2oc(C(=O)N[C@H](C)c3ccc4c(c3)CC(=O)N4)c(C)c2c1 58364366 TZRUNNCDIDXYAC-GFCCVEGCSA-N 364.401 3.735 0 40 FHAB Cc1cc2c3ccc(C(=O)C(F)(F)F)n3ccn2c1C(=O)C(F)(F)F 2270520 TVBBYASZECGHHI-UHFFFAOYSA-N 362.229 3.990 0 40 FHAB Cc1nn2c(nc(NC[C@@H](O)c3ccccc3)c3ccccc32)c1Cl 48308795 ASHKTLZKVXVDNT-MRXNPFEDSA-N 352.825 3.990 0 40 FHAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1cccc(Oc2ccccc2)c1 48300222 SQEAGEXHPLNFKC-OAHLLOKOSA-N 364.401 3.507 0 40 FHAB Cc1cc(C(=O)Nc2ccc(CN3CCCCC3)cc2)c2cnn(C)c2n1 36616725 UMQPNNKYSDMWHZ-UHFFFAOYSA-N 363.465 3.515 0 40 FHAB Cc1ccc(-n2ncc3c2ncn2nc(CCc4ccccc4)nc32)cc1 2408429 XSXBBOMIQMJMAH-UHFFFAOYSA-N 354.417 3.557 0 40 FHAB O=C(CC1(C(=O)O)CCCCCC1)Nc1cccc(CN2CCCC2=O)c1 28901385 QZWAPOOLYQGGCO-UHFFFAOYSA-N 372.465 3.563 0 40 FHAB CS(=O)(=O)c1ccccc1NC(=O)N1CCCCC[C@H]1c1ccncc1 45986851 IKIUZTSEUWJSAZ-KRWDZBQOSA-N 373.478 3.634 0 40 FHAB CCN(Cc1ccccc1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 12853530 KPOLJQGWXPLYLF-UHFFFAOYSA-N 365.477 3.979 0 40 FHAB Cc1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)c(C)c1 3532820 SUHUXPJKTUDBRZ-UHFFFAOYSA-N 361.445 3.992 0 40 FHAB CCn1c(=O)n(CCC(=O)N[C@H](C)c2ccc(Cl)cc2)c2ccccc21 12993534 LZKTXUDGUSYEOF-CQSZACIVSA-N 371.868 3.744 0 40 FHAB CC(=O)c1ccc(-c2ccc(/C=C(/Sc3nnc(C)[nH]3)C(=O)O)o2)cc1 6167024 ZJTDNRKDJAKASB-CXUHLZMHSA-N 369.402 3.794 0 40 FHAB COc1cc(C)c(NC(=O)c2ccc(-n3nccc3C)cc2)cc1OC 20909299 LSWBVGPHBHVYQV-UHFFFAOYSA-N 351.406 3.759 0 40 FHAB Cc1nc(CSc2ccc(C(=O)NO[C@@H]3CCCCO3)cc2)cs1 72058663 AWOHFOIOJBLUMC-MRXNPFEDSA-N 364.492 3.932 0 40 FHAB CCC(=O)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@H](c1ccccc1)N2 5324803 UYLVIXKZZGJABA-SJORKVTESA-N 365.412 3.912 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2cc3c(s2)CCC3)c1 4581365 WSTJTJAYEDEHKB-GFCCVEGCSA-N 357.431 3.623 0 40 FHAB Cc1ccc(NC(=O)C2CC2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 6537611 LMCBMCDEEHFJSY-UHFFFAOYSA-N 364.854 3.798 0 40 FHAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(OC(F)(F)F)cc1 14482027 UMNPDKBDQYFJJE-UHFFFAOYSA-N 364.323 3.730 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(Br)cc1 5632629 PDIDSEJUUUEQSQ-UHFFFAOYSA-N 363.211 3.668 0 40 FHAB Cn1cnc(-c2ccc(NC(=O)Cc3c(Cl)cccc3Cl)cc2)n1 96011824 STHUDTRFBZQDAI-UHFFFAOYSA-N 361.232 3.970 0 40 FHAB CCn1c(C)c(C(=O)CN2C(=O)COc3ccc(F)cc32)c2ccccc21 15019908 ZBVPQOZJVGMVNT-UHFFFAOYSA-N 366.392 3.717 0 40 FHAB Cc1cccc(-n2ccnc2SCc2cc(=O)n3ccccc3n2)c1C 9318165 GNOLETDNJFPNHH-UHFFFAOYSA-N 362.458 3.789 0 40 FHAB COc1ccc([C@@H](NC(=O)Nc2cccc(C)c2)c2nccn2C)cc1 9314254 DTKZUTZYPRWOOB-GOSISDBHSA-N 350.422 3.648 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)Cc1ccccc1F 7910852 CYDJTERPUSIMRY-UHFFFAOYSA-N 366.440 3.699 0 40 FHAB CC(=O)NCc1ccc(C2=NN=C(Nc3cccc(Cl)c3)SC2)cc1 9455762 NSLCWPROPWIADZ-UHFFFAOYSA-N 372.881 3.895 0 40 FHAB O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CC(=O)N(Cc2ccco2)C1 8133982 JDNZBHYYLFHMFS-IBGZPJMESA-N 374.440 3.534 0 40 FHAB O=C(NCc1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1 17117490 OGMKDCOFBNEIIP-UHFFFAOYSA-N 361.848 3.507 0 40 FHAB C[C@@H](SCC(=O)N(CCO)C1CCCCC1)c1nc2ccccc2[nH]1 95948696 RSVYWGMQNZUQNJ-CQSZACIVSA-N 361.511 3.511 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)c1cccnc1N(C)C 75106195 XWKGPYJJNBFBRZ-LLVKDONJSA-N 368.264 3.885 0 40 FHAB CC(C)(C)c1nc(CN(Cc2ccccc2)C[C@@H](O)c2ccco2)no1 75108132 QDDHDUFXXWUNTQ-MRXNPFEDSA-N 355.438 3.696 0 40 FHAB CCCOc1ccc(CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cc1 89960301 CHHCLAUQSHOPFH-FQEVSTJZSA-N 356.397 3.582 0 40 FHAB CCCN1C(=O)N/C(=C/c2cc(Cl)c(O[C@H](C)CC)c(OC)c2)C1=O 409242386 ROZUFNZOXYJBIO-ZECSTPGPSA-N 366.845 3.829 0 40 FHAB Cn1cc(NC(=O)Cn2ccc3cc(OCc4ccccc4)ccc32)cn1 61718379 ICBJYYQITMYINY-UHFFFAOYSA-N 360.417 3.593 0 40 FHAB Clc1cc(-c2noc(CCc3nccs3)n2)cc2c1OCCCO2 546246628 INWKRWFFAYZXME-UHFFFAOYSA-N 363.826 3.793 0 40 FHAB Cc1cccc(C)c1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 22379413 IALBNNGYCKRWCF-UHFFFAOYSA-N 374.506 3.832 0 40 FHAB CCc1c(C(=O)NCc2ccccc2OC(F)F)cnn1-c1ccccc1 30627755 MXHWEWHFQDEUEP-UHFFFAOYSA-N 371.387 3.966 0 40 FHAB CCOc1ccc(CCCNC(=O)c2cccc(N3CCCC3=O)c2)cc1 219214216 JYAMMIPGSYWOEV-UHFFFAOYSA-N 366.461 3.575 0 40 FHAB O=C(NCCc1ccc2c(c1)OCO2)c1cc(-c2cccc(Cl)c2)on1 32830303 GQKLEAUWXZMACS-UHFFFAOYSA-N 370.792 3.696 0 40 FHAB O=C(c1cscn1)N1CCC[C@H]1c1cncc(Oc2ccccc2)n1 72384082 KGPYFJBMUVLRAR-INIZCTEOSA-N 352.419 3.703 0 40 FHAB CC(C)CC(=O)N1CCCC[C@H]1Cc1c(C(N)=O)sc2ccccc12 72370410 ZNVMYZFHMCSTDV-AWEZNQCLSA-N 358.507 3.970 0 40 FHAB Cc1csc(Nc2nccnc2[C@H]2CCCN(C(=O)CC(C)C)C2)n1 72363562 VWRZOIXVUQXPTJ-AWEZNQCLSA-N 359.499 3.737 0 40 FHAB COc1ccc(CCCNC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1OC 219070549 RALAZHWZPPTCJI-QGZVFWFLSA-N 371.477 3.837 0 40 FHAB COc1cc(OC)cc(C(=O)NCCOc2cccc3ccccc23)c1 223510679 PZEIFFUTRVEJJD-UHFFFAOYSA-N 351.402 3.666 0 40 FHAB Cc1c(I)cccc1-c1nc2cc(N)ccc2o1 226248384 WJGDFPCEVCSLGT-UHFFFAOYSA-N 350.159 3.990 0 40 FHAB Cc1cccc(N(CCCC(=O)N(C)c2ccccc2)S(C)(=O)=O)c1C 224455335 SYEQQFDCFURUCJ-UHFFFAOYSA-N 374.506 3.513 0 40 FHAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCC1(c2ccccc2)CCOCC1 225808090 IWZLGTFZQYIFSX-INIZCTEOSA-N 373.880 3.972 0 40 FHAB CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1cccc(C)c1 224381990 YNXQUFCQVRSXRL-FQEVSTJZSA-N 369.461 3.882 0 40 FHAB Cc1cc(C(F)(F)F)nc(CCNC(=O)/C=C/c2ccccc2Cl)n1 77101086 FCXSYXUMFQCMHO-VOTSOKGWSA-N 369.774 3.829 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)NCCOc1ccc(Cl)cc1 224615706 MOVPQRPZDFCFFU-INIZCTEOSA-N 351.805 3.832 0 40 FHAB COC[C@H]1CC2(CCN(Cc3ccsc3)CC2)CN1Cc1ccccn1 96051789 UGTNPFDMWGTSNB-HXUWFJFHSA-N 371.550 3.646 0 40 FHAB CCOc1cc([C@H](N)c2n[nH]c(-c3ccc(Cl)cc3)n2)ccc1OC 95534382 LRUIWAFSKAKAEM-INIZCTEOSA-N 358.829 3.581 0 40 FHAB Cc1nc(C)c(C(=O)N2Cc3ncc(C)n3C[C@H]2c2ccccc2)s1 257315598 VCCDBJWKNBWVQE-INIZCTEOSA-N 352.463 3.662 0 40 FHAB Cc1csc(Nc2cccc(CC3CCN([C@@H](C)CCO)CC3)n2)n1 257201442 AHSMMUDTDNNEHW-HNNXBMFYSA-N 360.527 3.616 0 40 FHAB Cc1sc2nc([C@@H](C)NCCc3c[nH]c4ccccc34)[nH]c(=O)c2c1C 25776768 NMYMZNBLLIRHTJ-GFCCVEGCSA-N 366.490 3.976 0 40 FHAB O=C(c1ccncc1)N1CCC[C@H](c2ncc(Cc3ccccc3F)o2)C1 257343622 ZTTRVDOFSRIOHC-KRWDZBQOSA-N 365.408 3.819 0 40 FHAB CCOC(=O)c1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1Cl 260658742 BBOZYZMSICDFBG-PGUXBMHVSA-N 352.887 3.992 0 40 FHAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 260763812 GOJJVEIVFIHWQA-XRUDKFOUSA-N 364.445 3.664 0 40 FHAB C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1Cc1nc(C(=O)O)co1 629377204 MAHLQDBZOSWSGG-ZYHUDNBSSA-N 365.227 3.513 0 40 FHAB Cc1cc(C)c2c(CN3CCN(c4ccc(F)cc4)CC3)cc(=O)oc2c1 54105884 AUFRUPMVABLLJB-UHFFFAOYSA-N 366.436 3.871 0 40 FHAB biogenic Cc1cc(Cl)cc2cc(-c3noc([C@@]45C[C@H]6C[C@@H](C(=O)N4)[C@H]5C6)n3)oc12 650594363 GIAVJDMBNZRFJX-GJHDLRMISA-N 369.808 3.816 0 40 FHAB Cc1cc(=O)oc2c(O)c3oc(-c4ccccc4)c(CC(=O)O)c3cc12 1772491542 SFIWFFOJALYTNV-UHFFFAOYSA-N 350.326 3.847 0 40 FHAB biogenic Cc1cccc(CN2CCC(c3cncc(=Nc4ccccn4)[nH]3)CC2)c1 585176632 NEFCFWKELFAANB-UHFFFAOYSA-N 359.477 3.725 0 40 FHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cnc2ccccc2c1C(F)(F)F 30938886 PEOYEPZVOIIEEA-UHFFFAOYSA-N 372.306 3.676 0 40 FHAB O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1cc2cc(Cl)ccc2[nH]1 54295512 DOEONTGNFYNGON-AWEZNQCLSA-N 374.853 3.521 0 40 FHAB O=C(NCc1cccnc1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 76758720 DZNYUWZSLLYDJJ-KRWDZBQOSA-N 363.421 3.568 0 40 FHAB Cc1sc(C(N)=O)cc1NS(=O)(=O)c1ccccc1-c1ccccc1 79105834 JCQRHALQSNXXLH-UHFFFAOYSA-N 372.471 3.623 0 40 FHAB CC(C)[C@@H](Sc1nc(-c2ccccc2)cn1N)C(=O)N1CCCC[C@H]1C 84692148 PSRZWTGQPIFNEP-CRAIPNDOSA-N 372.538 3.782 0 40 FHAB CCC(CC)C(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 95998711 FFFOHXDROAWZGF-KRWDZBQOSA-N 368.481 3.804 0 40 FHAB COc1cc(/C=C/C(=O)O[C@@H]2CCCCO2)ccc1O[C@@H]1CCCCO1 3132227 NGMZSNUKQQRJJT-MBUYQLGJSA-N 362.422 3.684 0 40 FHAB O=C(/C=C/c1ccccc1)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 1615128803 CUMJZVJEFOACHU-CGIBVWHJSA-N 369.436 3.662 0 40 FHAB CCOC(=O)c1ccsc1NC(=O)CN(C)[C@@H]1CCCc2ccccc21 11285623 LONXABDTGDGCRW-QGZVFWFLSA-N 372.490 3.873 0 40 FHAB O=C(NCc1ccccc1OC(F)F)c1ccc(NC(=O)C2CC2)s1 12827514 XVPQSEJOJHSQCK-UHFFFAOYSA-N 366.389 3.628 0 40 FHAB C[C@@H](CNC(=O)c1ccccc1I)c1ccccc1 15744878 KJSIWZIFAQXUJF-LBPRGKRZSA-N 365.214 3.825 0 40 FHAB CCn1c(SCC(=O)N2[C@@H](C)CCC[C@H]2C)nnc1-c1ccccc1 17971386 GCLSLASPFJJNQW-GASCZTMLSA-N 358.511 3.847 0 40 FHAB COC(=O)c1cc2ccccc2cc1OC(=O)Cc1ccc(OC)c(F)c1 18086309 HLPMCGNRHPRDRI-UHFFFAOYSA-N 368.360 3.922 0 40 FHAB Brc1ccc(CN2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 19361746 RYOUYIJYULFNQK-FGTMMUONSA-N 361.327 3.779 0 40 FHAB COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(OC)cc1NC(=O)c1ccccc1 11651818 QCDNDIVORCSDKH-TZMCWYRMSA-N 354.406 3.551 0 40 FHAB C[C@@H](NC(=O)CCC(=O)c1ccc(F)cc1)c1ccc(-n2ccnc2)cc1 9882480 ILFXDSVDVRWJRX-OAHLLOKOSA-N 365.408 3.852 0 40 FHAB COc1cc(CC(=O)Nc2nc3ccccc3s2)cc(OC)c1OC 5635673 SZAIZOVPRZGPAV-UHFFFAOYSA-N 358.419 3.503 0 40 FHAB CC(C)(C)c1nc2ccccc2n1C1CN(C(=O)c2cc(C3CC3)on2)C1 1889224995 UTZZVIPBZNZFQY-UHFFFAOYSA-N 364.449 3.896 0 40 FHAB O=C(CCC(=O)N1CCC(Oc2ccncc2)CC1)c1ccc(Cl)cc1 253408696 YMWIWWUZTAQDEB-UHFFFAOYSA-N 372.852 3.768 0 40 FHAB C[C@H](SC1=NCCS1)C(=O)Nc1nnc(-c2ccc(F)cc2)s1 4174508 NLCSFOKABJPWNJ-QMMMGPOBSA-N 368.484 3.507 0 40 FHAB Cc1nc2sccn2c(=O)c1NC(=O)Nc1ccc(F)c(Cl)c1 13708001 MVLDCBUAGIBJTM-UHFFFAOYSA-N 352.778 3.501 0 40 FHAB C[C@H](NC(=O)Cc1csc(NC(=O)c2ccccc2)n1)c1ccccc1 14049172 QPKJYMLXGDOQAX-AWEZNQCLSA-N 365.458 3.815 0 40 FHAB COc1cccc(NC(=S)N2CCn3cccc3[C@H]2c2cccnc2)c1 4059483 CXLHLIVJVKDWPW-LJQANCHMSA-N 364.474 3.694 0 40 FHAB Cc1cc(SCC(=O)NCc2ccc(C(=O)O)cc2)nc2ccccc12 6507230 AOPMEHBTZMUDHW-UHFFFAOYSA-N 366.442 3.650 0 40 FHAB O=C(NC[C@@H]1COc2ccccc2O1)C1(c2ccc(Cl)cc2)CCC1 32995815 CYLBURYFJCDCRE-MRXNPFEDSA-N 357.837 3.718 0 40 FHAB Cc1occc1C(=O)Nc1nc(CC(=O)N(C)c2ccccc2)cs1 40130812 BMJBTQQZCNOOER-UHFFFAOYSA-N 355.419 3.502 0 40 FHAB Cn1c(C(=O)NCc2ccccc2Cn2cccn2)cc(Cl)c1Cl 30586872 YUOPOYXJJKKPLZ-UHFFFAOYSA-N 363.248 3.507 0 40 FHAB CCOc1ccc(NC(=O)COC(=O)c2ccc(F)c(Cl)c2)cc1 51353995 CNDXFTQLLCWNRO-UHFFFAOYSA-N 351.761 3.673 0 40 FHAB Cc1nc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2s1 20738319 YCFPPPBHKCDCHW-UHFFFAOYSA-N 365.502 3.999 0 40 FHAB Cc1cc(C)cc(OCCN(C)C(=O)c2cncn2-c2ccc(F)cc2)c1 32788925 LAAMEJMYJHWANM-UHFFFAOYSA-N 367.424 3.779 0 40 FHAB CN(C(=O)c1ccc(OCC(F)(F)F)nc1)[C@@H]1CCc2ccccc21 32905706 RCGGFBIQJYTGBX-OAHLLOKOSA-N 350.340 3.782 0 40 FHAB CC(=O)N1CCN2C(=O)[C@H]1CCCC(=O)c1cc(C3CCCCC3)ccc12 850526 CQIZASIYJPTXSH-HXUWFJFHSA-N 368.477 3.665 0 40 FHAB biogenic Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 995965 MKXNDJSLQLSEKE-INIZCTEOSA-N 358.869 3.765 0 40 FHAB O=C1c2ccccc2C(=O)N1CCc1csc(NCc2ccccc2)n1 1395381 XQYAOZLRNGNICU-UHFFFAOYSA-N 363.442 3.594 0 40 FHAB CCCNC(=O)c1c(N)n(-c2ccc(C)c(C)c2)c2nc3ccccc3nc12 2396586 BFXTVAYPWVSUSZ-UHFFFAOYSA-N 373.460 3.913 0 40 FHAB COc1ccc(NC(=O)CSCC(=O)Nc2ccc(Cl)cc2)cc1 2887356 JYXKDZILIGMIJG-UHFFFAOYSA-N 364.854 3.659 0 40 FHAB Cn1c(SCC(=O)c2ccc(F)c(F)c2)nnc1-c1ccccc1F 3345737 LGKQLXMAUDHJFL-UHFFFAOYSA-N 363.364 3.874 0 40 FHAB CCC(CC)NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 3542404 MATACRSFZZTMSC-UHFFFAOYSA-N 370.478 3.924 0 40 FHAB CCC(=O)N1CCN(c2nnc(-c3ccc(C)cc3)c3ccccc23)CC1 3644956 OXCIKCVWTMRDIV-UHFFFAOYSA-N 360.461 3.664 0 40 FHAB CCOc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)O[C@H]1CCC[C@@H]1C 4084008 FUPVHRSUYOBPNS-XLWVJDPXSA-N 374.506 3.610 0 40 FHAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)cn2)c(C)c1 4123111 BLOKHNQGOQSCLE-UHFFFAOYSA-N 364.268 3.588 0 40 FHAB O=S(=O)(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1cccs1 4249144 SCTVAJBHKGQFNL-UHFFFAOYSA-N 363.489 3.518 0 40 FHAB O=C(NCc1nnc(SC/C=C/c2ccccc2)o1)c1ccccc1 4354139 GDZDYPGCVSQQQB-JXMROGBWSA-N 351.431 3.805 0 40 FHAB Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(C(C)C)c3ccccc32)c(C)c1 4554701 QMDNHTJZHMCLOJ-QFIPXVFZSA-N 351.446 3.827 0 40 FHAB CCOC(=O)c1sc2nc(SCc3ccccc3)[nH]c(=O)c2c1C 4649945 FDJJUXGTTZXXHT-UHFFFAOYSA-N 360.460 3.762 0 40 FHAB CCOC(=O)C1CCN(C(=O)CSc2ccc3ccccc3c2)CC1 4948274 VDTOBEVRSQFQJI-UHFFFAOYSA-N 357.475 3.734 0 40 FHAB CCOC(=O)[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)c1ccccc1 5014632 FTCDTEQORHHWLK-HNNXBMFYSA-N 374.853 3.712 0 40 FHAB CCOc1cc(C(=O)Nc2ccc(OC)nc2)cc(OCC)c1OCC 5062368 RSRQWBFLSVCFCT-UHFFFAOYSA-N 360.410 3.539 0 40 FHAB COCCn1cc(NC(=O)NCc2ccc(OC)cc2)c2ccccc21 5266397 YXJJCYCKFAJSDL-UHFFFAOYSA-N 353.422 3.618 0 40 FHAB O=C(CCCCCn1cnc2ccccc2c1=O)Nc1cccc(F)c1 5322088 RIHAJDDFGZMKBB-UHFFFAOYSA-N 353.397 3.735 0 40 FHAB CCOc1ccc(-c2nc(N)nc(C)c2Oc2ccc(OC)cc2)c(O)c1 5574184 VJJUVPKGBDNEGE-UHFFFAOYSA-N 367.405 3.939 0 40 FHAB CCN(CC)CCOC(=O)[C@@](O)(c1ccccc1)c1c(C)ccc(C)c1C 6382261 HGBHTCJJGOMTMZ-HSZRJFAPSA-N 369.505 3.733 0 40 FHAB C[C@H](OC(=O)c1ccc(NC(=O)c2ccco2)cc1)C(=O)c1ccccc1 6794579 PEZSBIGUBIZKCI-AWEZNQCLSA-N 363.369 3.960 0 40 FHAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2CC)cc1 6880358 ODDCWGGRJVQVKO-UHFFFAOYSA-N 374.506 3.509 0 40 FHAB COc1ccccc1N1CCN(C(=S)Nc2ccc(C)c(C)c2)CC1 7522434 ZUDYTTPWMVFDLG-UHFFFAOYSA-N 355.507 3.831 0 40 FHAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)O[C@H]3C[C@H](C)OC3=O)sc2n1 7785306 ZBBMEGRIGCTZTB-STQMWFEESA-N 370.430 3.565 0 40 FHAB C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)C(=O)c1ccccc1 7881593 RVYPYFASNPKTQC-ZFWWWQNUSA-N 371.820 3.508 0 40 FHAB CCOC(=O)c1c(NC(=O)[C@@H]2COc3ccccc3C2)sc(C)c1C 8843831 CVWLKUPYKKUNQI-AWEZNQCLSA-N 359.447 3.731 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(N)c3ccsc3n2)cc1 9609837 HYKSFDLYXMHUMK-JTQLQIEISA-N 372.475 3.595 0 40 FHAB O=C(COC(=O)c1ccccc1)Nc1ccc(Br)cc1Cl 9689243 PTWODWSWYXHWJN-UHFFFAOYSA-N 368.614 3.898 0 40 FHAB COc1ccc(CN2CCCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 10413506 ZQZKKJJRZJKWKH-UHFFFAOYSA-N 357.429 3.574 0 40 FHAB c1csc(-c2cnc(N3CCN4CCC[C@H]4C3)nc2-c2nccs2)c1 12251475 FMAPMGBAPLAYEK-ZDUSSCGKSA-N 369.519 3.613 0 40 FHAB Cn1ncc2c1CCc1sc(NC(=O)c3c(F)cccc3Cl)nc1-2 12291895 WLCCPEQJHUKACQ-UHFFFAOYSA-N 362.817 3.687 0 40 FHAB Cn1ncc2c1CCc1sc(NC(=O)CCc3ccc(Cl)cc3)nc1-2 12327375 OADCDWKPLNDRGW-UHFFFAOYSA-N 372.881 3.867 0 40 FHAB Cc1cc(C(=O)O)ccc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 12548414 DERZWVWJTVCYQV-CMDGGOBGSA-N 351.811 3.759 0 40 FHAB COc1cc(C(=O)Nc2ccn(C)n2)ccc1OCc1ccccc1Cl 12897540 GVYNFUPJVCLONR-UHFFFAOYSA-N 371.824 3.913 0 40 FHAB CC(C)CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Cc1cccc2ccccc12 12908105 QBVFMXMKJXLQCS-SJORKVTESA-N 354.494 3.828 0 40 FHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 12910674 QIDQCLHDUIGVIJ-NWANDNLSSA-N 372.387 3.539 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)NCc1cc(Cl)c2c(c1)OCCCO2 14070220 CHGMIRDNMHWAHG-UHFFFAOYSA-N 370.836 3.842 0 40 FHAB CCOc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 14186738 QARCRRZVPCZSBD-HXUWFJFHSA-N 373.474 3.814 0 40 FHAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1 14247042 ZJKFDQLHXRXQFS-BONVTDFDSA-N 353.296 3.752 0 40 FHAB COCCN(Cc1ccccc1)C(=O)c1ccc(-n2nc(C)cc2C)cc1 14911890 FKFNBTBOELLYSO-UHFFFAOYSA-N 363.461 3.778 0 40 FHAB CCCc1nnc(NC(=O)CCC(=O)Nc2ccc(Cl)cc2)s1 17247126 CWBCKWLIOSIBFF-UHFFFAOYSA-N 352.847 3.501 0 40 FHAB C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1cc(F)cc(F)c1 18254471 WDMMLTHBWQOTRF-SNVBAGLBSA-N 368.380 3.803 0 40 FHAB Cc1ccc(-c2nnc(CNC(=O)Cc3ccc4c(c3)CCCC4)o2)s1 19217912 AERVVSLRNNMACU-UHFFFAOYSA-N 367.474 3.844 0 40 FHAB OC1(c2ccccn2)[C@H]2CCC[C@@H]1CN(Cc1ccc3ncccc3c1)C2 19401109 RYGJNFXXWXQHMM-DETIRCLXSA-N 359.473 3.750 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccccc1Cn1cncn1)c1ccc(F)cc1 19445775 WXUQZXCHIBPTRX-LJQANCHMSA-N 352.413 3.593 0 40 FHAB COc1ccc(C(=O)N2CC[C@@H](c3cc4ccccc4cn3)C2)cc1OC 19559809 MUOYXLGGONHGCI-GOSISDBHSA-N 362.429 3.882 0 40 FHAB FC(F)(F)c1cccc(-c2nccnc2[C@@H]2CN(CC3CC3)CCO2)c1 19693090 DNLXRZHVPNIQFU-INIZCTEOSA-N 363.383 3.946 0 40 FHAB O=C(CC1(O)CCCCC1)N1CCc2nc(-c3ccccc3F)sc2C1 19719913 VXDIHEIAIWUMNF-UHFFFAOYSA-N 374.481 3.919 0 40 FHAB CC(C)CNC(=O)c1cc([C@H]2CCN(CC3CC3)C2)nc2ccccc12 19761472 SQPJHCTUMKTRAF-KRWDZBQOSA-N 351.494 3.820 0 40 FHAB Cc1sc2c(c1C)CN(C[C@@H]1CCCO1)CN2C(=O)c1ccccc1 19880178 NTQUVSVZEWRJKV-KRWDZBQOSA-N 356.491 3.964 0 40 FHAB C[C@@H](NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)c1ccccc1 19937580 WHMQONGRSVCKQZ-CYBMUJFWSA-N 367.836 3.510 0 40 FHAB O[C@@H](CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 20218824 ATDYHWPLSVYKLF-SFHVURJKSA-N 350.384 3.561 0 40 FHAB CCCCCn1c(=N)n(C[C@H](O)COc2cccc(C)c2)c2ccccc21 20292809 FZFXKVXUQPPZJU-SFHVURJKSA-N 367.493 3.861 0 40 FHAB Ic1cccn1C1CCN(Cc2ccccc2)CC1 20358060 LZMIVAWAFVXKJL-UHFFFAOYSA-N 366.246 3.930 0 40 FHAB in-vivo CC(C)CSc1nnc(NC(=O)c2sc3ncccc3c2N)s1 20416363 DXLUSGFIQHOBOM-UHFFFAOYSA-N 365.509 3.730 0 40 FHAB COc1cc2c(cc1NC(=O)CN1C[C@H](C)O[C@@H](C)C1)oc1ccccc12 21821921 DFCVFLLJQOCRLA-KBPBESRZSA-N 368.433 3.642 0 40 FHAB O=C(NCC1(c2cccs2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 22682912 OBLOXXLOPBWLKD-UHFFFAOYSA-N 368.380 3.553 0 40 FHAB O=C(Nc1cccc(Cl)c1F)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 23112840 KIENWJISNQYQGW-AWEZNQCLSA-N 372.827 3.959 0 40 FHAB CNC(=O)c1cccc(CNC(=O)c2ccc3c(c2)Cc2ccccc2-3)c1 24624043 AHCTXTJTMRRUIL-UHFFFAOYSA-N 356.425 3.547 0 40 FHAB FC(F)(F)c1cnc(NCc2ccc(-n3cccn3)nc2)c(Cl)c1 24904778 QGSYLJGNNRYJAY-UHFFFAOYSA-N 353.735 3.947 0 40 FHAB O=C(Nc1nnc([C@H]2CCCO2)s1)c1ccc(OC2CCCC2)cc1 27913254 COZMVICMKAHHJG-OAHLLOKOSA-N 359.451 3.963 0 40 FHAB Cc1cccc2sc(NC(=O)CCn3cc(Br)cn3)nc12 27968859 DCZRZGUTELHSPQ-UHFFFAOYSA-N 365.256 3.593 0 40 FHAB O[C@H]1c2ccccc2[C@@H](O)c2c1ccc1c2CN(Cc2ccccc2)CC1 31772144 WDBPFTQKJYIDGQ-BJKOFHAPSA-N 357.453 3.722 0 40 FHAB COc1ccccc1OC[C@H](O)CN(Cc1ccco1)Cc1cccs1 31815765 CRSAWGFFSVOTPO-MRXNPFEDSA-N 373.474 3.792 0 40 FHAB CCSc1nsc(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)n1 32593922 SCFSIEFTDVEKJL-UHFFFAOYSA-N 361.448 3.626 0 40 FHAB O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1ccc(F)cc1F 32777695 KEUINRNCIMUEAX-UHFFFAOYSA-N 350.328 3.951 0 40 FHAB C[C@@H](NC(=O)c1ccccc1)C(=O)OCc1cccc(C(F)(F)F)c1 32910524 IAXZSMSCIFEDAM-GFCCVEGCSA-N 351.324 3.567 0 40 FHAB O=C(Cc1ccccc1Cl)NCc1ccc(OC[C@H]2CCCO2)cc1 32930236 JIHSIXUWFFACJI-GOSISDBHSA-N 359.853 3.757 0 40 FHAB Cc1ccccc1CCNC(=O)Cc1c(C)nn(-c2ccccc2F)c1C 40130693 OOADGTCMDULBRI-UHFFFAOYSA-N 365.452 3.838 0 40 FHAB CN(C)C(=O)N1CCC[C@H](C(=O)N[C@H](CC(C)(C)C)c2ccccc2)C1 40134274 ZTKLPCHKPIPRFI-ZWKOTPCHSA-N 359.514 3.674 0 40 FHAB NC(=O)c1cccc2c1CCCN2C(=O)Cc1ccc(Cl)cc1Cl 41578258 XRJZOJVEIOMOOC-UHFFFAOYSA-N 363.244 3.614 0 40 FHAB CCc1nc(NC(=O)CCc2nc(-c3ccc(OC)cc3)no2)sc1C 44701879 YKRJZCKNTKLQAG-UHFFFAOYSA-N 372.450 3.644 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)COc2cc(Cl)ccc21 44841742 NZDSDBJIRCRKEN-UHFFFAOYSA-N 365.216 3.666 0 40 FHAB CC(C)(C)c1nnc(NC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)s1 48235920 RFARHPSPXFSLOY-DHZHZOJOSA-N 370.478 3.614 0 40 FHAB Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N2CCCC[C@@H]2CCO3)c(C)o1 49030251 AVELEPMBVDAKTL-MRXNPFEDSA-N 368.433 3.926 0 40 FHAB CCOc1cc2c(cc1[C@@H]1SCC(O)=Nc3[nH]nc(C)c31)O[C@H](C)C2 49548117 CWKSQLJJHCGSAP-XLFHBGCDSA-N 359.451 3.864 0 40 FHAB CN(C)c1nc2sc(C(=O)N(Cc3ccccn3)C3CC3)cc2s1 53128960 WFTMDLKJMFDPOG-UHFFFAOYSA-N 358.492 3.624 0 40 FHAB Cc1cc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)[nH]n1 54128782 AMTXRSUPDBIIMA-UHFFFAOYSA-N 371.444 3.843 0 40 FHAB COc1ccc(C2(C(=O)NCc3cn4ccsc4n3)CCCCC2)cc1 65843113 HKZNTIBRNMACCS-UHFFFAOYSA-N 369.490 3.923 0 40 FHAB Cc1cc(N2CCC[C@H](OC(=O)c3cnc(C(C)(C)C)s3)C2)nc(C)n1 66732351 UWWZHMNMQFDZPW-AWEZNQCLSA-N 374.510 3.673 0 40 FHAB CCC(CC)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 68935565 BMAFGROKFUNTLO-UHFFFAOYSA-N 364.442 3.545 0 40 FHAB CC(C)Oc1ccc(C(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)cc1 70636401 IMJTYWCVLYXEDC-GOSISDBHSA-N 367.367 3.654 0 40 FHAB CCN(CC(=O)NC(=O)Nc1ccc(C)c(C)c1)[C@H](C)c1cccc(O)c1 72308224 WESAYBPUUGMLGJ-MRXNPFEDSA-N 369.465 3.740 0 40 FHAB CN(C)CC(=O)N1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 72350114 DLTBOQDZNKWJIS-INIZCTEOSA-N 357.885 3.670 0 40 FHAB O=C(C[C@H]1C=CCC1)N1CCC(c2ccc(Nc3cnccn3)cn2)CC1 72374297 HYHRFQNPEIVENE-INIZCTEOSA-N 363.465 3.678 0 40 FHAB O=C(NCCCCNC(=O)OCc1ccccc1)OCc1ccccc1 75260938 NNWOXUFFKHFIIG-UHFFFAOYSA-N 356.422 3.619 0 40 FHAB CC[C@H]1CCCN(C(C)(C)CNC(=O)Nc2nnc(C(C)C)s2)C1 75610401 VGUULGAXGWTCAJ-ZDUSSCGKSA-N 353.536 3.684 0 40 FHAB Cn1ccnc1COc1ccc(CN2CCOc3cccc(F)c32)cc1 79103674 HABXRNOWWYHLNS-UHFFFAOYSA-N 353.397 3.537 0 40 FHAB Cn1c([C@@H]2CCCN2C(=O)c2cc(F)c(O)c(F)c2)nc2ccccc21 95406706 UGXAIWUUWYLEHT-INIZCTEOSA-N 357.360 3.534 0 40 FHAB CCc1nc([C@@H](C)NC(=O)Nc2ccncc2Br)cs1 95454811 DSFRUIKUTDYCHE-MRVPVSSYSA-N 355.261 3.746 0 40 FHAB CC(C)[C@@H](C(=O)Nc1cccc2c1ccn2C)N1Cc2ccccc2C1=O 95479167 CLFFNSGJECCLMZ-FQEVSTJZSA-N 361.445 3.797 0 40 FHAB biogenic C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)c2ccc(F)cc2Br)C1 95940617 NXNNGXCDBNAKJN-DIFFPNOSSA-N 372.278 3.895 0 40 FHAB O=C(c1cccs1)N1CCC2(CCN(Cc3cccnc3)CC2)CC1 96047300 BGWVGTSXDYZOIL-UHFFFAOYSA-N 355.507 3.662 0 40 FHAB COc1ccc(CN2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)cc1 96051156 MDDAPVNHNAKFCS-FQEVSTJZSA-N 373.447 3.828 0 40 FHAB CCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 96590508 HSTBNIQZWRFKJK-SFHVURJKSA-N 366.461 3.853 0 40 FHAB O=C(CSc1ccc(Cl)cc1)NCc1ccccc1-n1ccnc1 97676743 HWCOHXDHTHBNLB-UHFFFAOYSA-N 357.866 3.934 0 40 FHAB C[C@H](CCCC(C)(C)O)NC(=O)C1CCN(CC2CCCCC2)CC1 199403733 SBKBVLRLCQDSHP-QGZVFWFLSA-N 352.563 3.725 0 40 FHAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 223038161 FIIKRJFXGAWVHP-LSDHHAIUSA-N 367.927 3.806 0 40 FHAB CCc1cc(S(=O)(=O)N(C)Cc2ccc(SC)cc2)ccc1OC 223751990 VWVAQJRWFLDBFV-UHFFFAOYSA-N 365.520 3.800 0 40 FHAB COc1ccc(CNS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1 224646980 GUFOOHLVDNPOCJ-UHFFFAOYSA-N 363.479 3.614 0 40 FHAB CCCOc1ccc(NC(=O)C2(OC)CCCCC2)cc1C(=O)OCC 225805204 XRUCXCQPOZGROM-UHFFFAOYSA-N 363.454 3.940 0 40 FHAB COc1ccc(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)c(OC)c1 225881172 MLWJSEITPKHART-UHFFFAOYSA-N 373.430 3.666 0 40 FHAB CC(C)Oc1ccc(NC(=O)C2(C)COC(c3ccccc3)OC2)cn1 225914952 VLKXVKDNYPMOSY-UHFFFAOYSA-N 356.422 3.559 0 40 FHAB COc1ccc(C(=O)N2CCC(Oc3ccncc3Cl)CC2)cc1F 240178546 YZNWIMPRYRCOBL-UHFFFAOYSA-N 364.804 3.566 0 40 FHAB Cc1cn(C)c([C@@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)n1 257235879 GZYHXNABLCHISE-QGZVFWFLSA-N 350.466 3.549 0 40 FHAB CN(C)Cc1cn(-c2ccccc2C(=O)NCc2ccccc2Cl)cn1 257316711 VGRCMLKOAXDWEZ-UHFFFAOYSA-N 368.868 3.517 0 40 FHAB CC(C)N1CCC(Cc2nccnc2N2CC3(CCCCC3)OC2=O)CC1 257328092 XEBRKCXMIDRBPZ-UHFFFAOYSA-N 372.513 3.799 0 40 FHAB COc1ccc(OC)c(-c2ccc(OC(=O)c3ccccc3C)nn2)c1 408529875 HUODQWRZPVEAFM-UHFFFAOYSA-N 350.374 3.688 0 40 FHAB Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccccc2)cc1 408621138 LENYOIHNWSZVST-UHFFFAOYSA-N 364.474 3.744 0 40 FHAB Cc1n[nH]cc1-c1nnc(NC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)s1 529124073 XRTXRVGQWDPKTG-QWHCGFSZSA-N 357.414 3.508 0 40 FHAB Cn1nccc1C1CCN([C@@H](C(=O)O)c2cccc(Cl)c2Cl)CC1 573975417 QAYZWBWSCRJXRL-MRXNPFEDSA-N 368.264 3.732 0 40 FHAB O=C(NCc1cn(-c2ccsc2)nn1)c1ccc(-c2cccs2)cc1 575619687 XMCIOKWRFNCZAN-UHFFFAOYSA-N 366.471 3.987 0 40 FHAB C[C@]1(CN[C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCO[C@H]1C1CC1 577492466 PMJDFEYRSJKWAW-BHIFYINESA-N 354.538 3.978 0 40 FHAB COC1(c2ccccc2)CN(C(=O)c2ccccc2OCc2cccnc2)C1 585082727 RMLWNPXGJRRDCG-UHFFFAOYSA-N 374.440 3.658 0 40 FHAB Cc1cc(NC(=O)c2ccc3c(c2)nc(O)n3C2CC2)ccc1CN(C)C 616241566 CEEOZKIPQROOJA-UHFFFAOYSA-N 364.449 3.699 0 40 FHAB O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CC(CC2CC2)C1 622252345 LLSRKUPBDLOZPD-UHFFFAOYSA-N 360.255 3.711 0 40 FHAB CN(C(=O)Nc1cccc(-c2cccc(Cl)c2)c1)[C@H]1C[C@@H](C(N)=O)C1 626558030 IOMLDQXJLDPYOK-KDYLLFBJSA-N 357.841 3.735 0 40 FHAB COc1ccnc(N(C)C(=O)C(C)(C)Oc2ccc(C(F)(F)F)cc2)c1 685939030 TVIZWIQSYRMJRA-UHFFFAOYSA-N 368.355 3.929 0 40 FHAB CC(C)(C)c1ccc(OCC2CCN(c3nnc(C4CC4)s3)CC2)nn1 1775966155 VGVHWTNRVVZSSE-UHFFFAOYSA-N 373.526 3.798 0 40 FHAB COc1ccc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)Nc2ccc(C)cc2)cc1 828831 OSTANIUJPANLOT-IBGZPJMESA-N 365.433 3.612 0 40 FHAB Cc1cc2cc(CN(C(=O)C3CC3)C3CCCC3)c3nnnn3c2cc1C 1367425 YFAKSUCPWZBBNL-UHFFFAOYSA-N 363.465 3.576 0 40 FHAB CC(=O)N1CCN(c2ncnc3sc4c(c23)CC[C@@H](C(C)(C)C)C4)CC1 1377161 CKKIQIJOMMASRK-CQSZACIVSA-N 372.538 3.511 0 40 FHAB CCOC(=O)[C@H]1C(=O)OC(C)(C)[C@@H]1[C@H](CC)C(=O)c1c(C)cc(C)cc1C 1441876 AUGICTWZDMWTJI-RYQLBKOJSA-N 374.477 3.952 0 40 FHAB CCOc1ccccc1NC(=O)NC1(C(F)(F)F)Oc2ccccc2O1 2725254 LFBUMMQYGWBJAV-UHFFFAOYSA-N 368.311 3.894 0 40 FHAB O=C(COC(=O)c1c(F)cccc1F)c1ccccc1Br 3242434 AXLQDNWNBDXHIV-UHFFFAOYSA-N 355.134 3.767 0 40 FHAB CC(=O)Nc1ccc2nc(NC(=O)CCOc3ccccc3)sc2c1 4076605 KSPMOBSSDYNPMV-UHFFFAOYSA-N 355.419 3.662 0 40 FHAB CC(C)c1ccc2c(N)c(C(=O)Nc3ccc4c(c3)OCO4)sc2n1 4140799 ANZVQCVOYFERLI-UHFFFAOYSA-N 355.419 3.983 0 40 FHAB O=C(Nc1nc2cc3c(cc2s1)OCO3)c1nc2ccccc2s1 4325780 AWNHLPBCPGVAIC-UHFFFAOYSA-N 355.400 3.887 0 40 FHAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(F)cc3)o2)c1 4888800 YEHDOOPHWCRNSM-UHFFFAOYSA-N 373.409 3.827 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 4976854 HKIYPFPXZFGTNF-MRXNPFEDSA-N 352.434 3.612 0 40 FHAB Cn1c(SCc2ccccc2)nnc1[C@@H]1CCCN1C(=O)C1CCCC1 5001649 LTZMJSWIWMJKGJ-KRWDZBQOSA-N 370.522 3.961 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc2ccccc2o1 5033667 WZZOIQQOBWJKEK-UHFFFAOYSA-N 358.419 3.924 0 40 FHAB Cc1ccc(N2C(=O)C[C@H](c3ccc(Cl)cc3)C3=C2COC3=O)cc1 5321887 KFABBLGQJYZUIH-MRXNPFEDSA-N 353.805 3.980 0 40 FHAB CCOc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1 6314966 KZOAHXRKIJIGBV-UHFFFAOYSA-N 360.262 3.871 0 40 FHAB CCCC(=O)NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 6634796 ISJBTUYLWREQGO-UHFFFAOYSA-N 373.869 3.687 0 40 FHAB COc1cc(/C=C2/C(=O)N(C)c3ccccc32)cc(OC)c1OC(F)F 7168124 KOYOJTQNXWPNSO-MDWZMJQESA-N 361.344 3.822 0 40 FHAB COc1ccc(-c2noc(CN(C)C(=O)c3ccccc3Cl)n2)cc1 7720326 QDAMORKEHBATDN-UHFFFAOYSA-N 357.797 3.671 0 40 FHAB Cc1cc(COC(=O)c2ccccc2NC(=O)Cc2ccccc2)no1 7832817 NSYHPBDLVIPGLC-UHFFFAOYSA-N 350.374 3.521 0 40 FHAB C[C@H]1Oc2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3)cc2NC1=O 8014338 ADKWMNKBNDDVAP-CYBMUJFWSA-N 368.433 3.721 0 40 FHAB O=C(Nc1cccc(C(=O)NC2CC2)c1)C1=Cc2cc(Cl)ccc2OC1 8230798 NWTOFCVAPXEBMJ-UHFFFAOYSA-N 368.820 3.647 0 40 FHAB O=C1N=C(Nc2ccc(O)cc2)S/C1=C\c1ccc(Br)o1 8418961 NFINXABSEVFLOI-XFFZJAGNSA-N 365.208 3.830 0 40 FHAB Cc1ccccc1[C@H](C)NC(=O)Cc1csc(NC(=O)c2ccco2)n1 8776829 WGJABOJKXDTFEO-ZDUSSCGKSA-N 369.446 3.717 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2 8959171 YFJCEGHNVWUYLE-UHFFFAOYSA-N 374.824 3.958 0 40 FHAB CCCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)c1cc(C)ccc1O2 8961446 PTRUDPVQVUPWSO-UHFFFAOYSA-N 360.435 3.529 0 40 FHAB Cc1cc(CSc2nnc(-c3cccnc3)n2Cc2ccccc2)on1 9593356 OSUGNYDAEDPADW-UHFFFAOYSA-N 363.446 3.977 0 40 FHAB CNC(=O)C1CCN(C(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)CC1 9790363 MTMCGNSELFOKHA-IBGZPJMESA-N 359.514 3.675 0 40 FHAB C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N(C)Cc1ccccc1Cl 10141488 VGMYPZHNBKKJAL-KRWDZBQOSA-N 371.912 3.509 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)c2n[nH]c3ccccc23)c(OC)c1 11261861 JBWPQEBLFYVHDF-KRWDZBQOSA-N 351.406 3.557 0 40 FHAB C[C@H]1Nc2ncnn2[C@@H](c2cccs2)[C@@H]1C(=O)Nc1ccc(Cl)cc1 11694931 JHIMLQOTZNDHAE-KMUNFCNLSA-N 373.869 3.651 0 40 FHAB Cc1cc(C)n(CCC(=O)N2CCC[C@@H]2c2nc3cc(C)c(C)cc3[nH]2)n1 12144800 UUHRUMZJJFERJA-LJQANCHMSA-N 365.481 3.747 0 40 FHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cccc(-n2cccc2)c1 12537031 RRJIRRXRFJOWFS-UHFFFAOYSA-N 367.836 3.841 0 40 FHAB O=C(NCc1ccc2c(c1)OCO2)c1occc1COc1ccccc1 12617289 NAAIZMIBNYGNPD-UHFFFAOYSA-N 351.358 3.517 0 40 FHAB Oc1c2c(nc3cc(C4CC4)nn13)CCN(Cc1ccccc1Cl)C2 12667019 CGXBIKAMLIGPBK-UHFFFAOYSA-N 354.841 3.524 0 40 FHAB COc1ccc(-c2ccc(CCC(=O)Nc3ccc(C(N)=O)cc3)o2)cc1 12796819 KILRFNRJDCCMBG-UHFFFAOYSA-N 364.401 3.625 0 40 FHAB Cc1noc2nc(C3CC3)cc(C(=O)O[C@H](C)C(=O)Nc3ccccc3)c12 12804163 RKSZJYNRVLQVIN-GFCCVEGCSA-N 365.389 3.593 0 40 FHAB CC[C@@H](C(=O)Nc1c(C)cccc1C)N(c1ccc(C)cc1)S(C)(=O)=O 13713053 GGCHXQSBHWQZHT-SFHVURJKSA-N 374.506 3.795 0 40 FHAB Cc1ccc(-c2noc(CCC(=O)Nc3nnc(CC(C)C)s3)n2)cc1 18946647 CPZSJMAYCWVIOC-UHFFFAOYSA-N 371.466 3.666 0 40 FHAB COc1c(C)cccc1C(=O)N1CCC[C@H]2NC[C@H](c3ccc(F)cc3)[C@H]21 19235848 QUNXROQUMCDUGD-VAMGGRTRSA-N 368.452 3.503 0 40 FHAB C[C@H](Cn1cc(Cl)cn1)C(=O)NCCc1nc(-c2ccccc2)cs1 19457389 RPKIOSNHPYXDDM-CYBMUJFWSA-N 374.897 3.655 0 40 FHAB CCc1nnsc1C(=O)Nc1nc(-c2ccc3c(c2)C[C@@H](C)O3)cs1 19521915 QOSPIHUPSNEQQV-SECBINFHSA-N 372.475 3.800 0 40 FHAB CCN(C)[C@H]1CN(C(=O)c2ccc(OCCOC)cc2)C2(CCCCC2)C1 19703797 FDCYICYIILUPOO-LJQANCHMSA-N 374.525 3.581 0 40 FHAB Cc1cc(C)n(CCCN(C)Cc2cnn(-c3ccc(Cl)cc3)c2)n1 19717466 ZDYDUBKNTZTHOG-UHFFFAOYSA-N 357.889 3.861 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1C 20029917 IPNPEGDRBHGGTF-UHFFFAOYSA-N 363.332 3.962 0 40 FHAB CC(C)Cn1c(S[C@H](C)C(=O)NC2CCCC2)nnc1-c1cccnc1 20171543 FELVWAOVQRAXDW-CQSZACIVSA-N 373.526 3.536 0 40 FHAB Cc1cc(SCC(=O)Nc2nncs2)c(C)cc1Br 21215236 FYFAQRKNGRJNOD-UHFFFAOYSA-N 358.286 3.648 0 40 FHAB CC(=O)N[C@H](CC(=O)N[C@@H](c1cccs1)C(C)C)c1cccs1 21467097 BKCNKQBTWCHWHP-CXAGYDPISA-N 350.509 3.890 0 40 FHAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1noc(-c2ccc(Cl)cc2)n1 21800639 IKIRUFMJTQPHPV-JTQLQIEISA-N 361.760 3.935 0 40 FHAB O=C(NCCCOC1CCCCC1)c1cc(Cl)c2c(c1)OCCCO2 24294472 OOVDLNQUXMRDSU-UHFFFAOYSA-N 367.873 3.971 0 40 FHAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1cccc(Br)c1 24369614 GUPVKNTXMOEHKV-LBPRGKRZSA-N 371.234 3.903 0 40 FHAB Cc1cc(C)n2ncc(C(=O)N(Cc3ccco3)Cc3cccs3)c2n1 24462862 KOODEPIBZGHBJR-UHFFFAOYSA-N 366.446 3.843 0 40 FHAB O=C(Nc1cccc2ncccc12)c1cccc(NC(=O)[C@H]2CCCO2)c1 24731090 LOOLZLHIMPQXAW-LJQANCHMSA-N 361.401 3.605 0 40 FHAB COc1ccc(CCNC(=O)N(C)Cc2ccccc2Cl)cc1OC 24924088 WCXUVEGHERNPRF-UHFFFAOYSA-N 362.857 3.741 0 40 FHAB COC(=O)/C=C/c1ccc(OCc2nc(-c3cccs3)no2)c(OC)c1 24987056 PRSFAKMGIUTRLR-SOFGYWHQSA-N 372.402 3.572 0 40 FHAB NC(=O)c1ccc(N[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1Cl 27005624 PKTJEIRAPUUKLC-GOSISDBHSA-N 371.868 3.605 0 40 FHAB Cc1ccccc1-n1ncc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)c1C 27841797 ANFMEYOJNGLSLT-LJQANCHMSA-N 374.488 3.745 0 40 FHAB Cc1nn(C)c(Cl)c1C(=O)NCc1ccccc1COc1ccccc1 30511220 JJHCSVKWTSFJET-UHFFFAOYSA-N 369.852 3.891 0 40 FHAB CCc1c(C)sc2c1c1nc(Cc3ccccc3)nn1c(=O)n2CC 32104651 UPTJZAYBBNHZGX-UHFFFAOYSA-N 352.463 3.587 0 40 FHAB O=C(c1cc(Cl)ccc1O)N1CCN(Cc2ccc(Cl)s2)CC1 32676139 BVIJLTBJECGVLX-UHFFFAOYSA-N 371.289 3.719 0 40 FHAB CSc1nc(C)c(CC(=O)Nc2ccc(NC(=O)C(C)C)cc2)s1 32891595 RJJACKLMKPWOOT-UHFFFAOYSA-N 363.508 3.949 0 40 FHAB CCOC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 33666407 OHHXPOCAYYNMSS-UHFFFAOYSA-N 353.827 3.626 0 40 FHAB O=C(CSc1ccc(F)cc1)NCC1CCN(Cc2ccco2)CC1 38583924 CUQRLKNMXCPRMQ-UHFFFAOYSA-N 362.470 3.539 0 40 FHAB Cc1ccc(/C=C/C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)s1 40106928 LSSUQBSSMYOLEV-CMDGGOBGSA-N 372.465 3.630 0 40 FHAB CCc1ccc(CNC(=O)c2ccccc2OCc2noc(C)n2)s1 40117108 BBGCGMKRPONJAX-UHFFFAOYSA-N 357.435 3.511 0 40 FHAB COc1cc(C(=O)NCc2ccc(COC(C)C)cc2)cc(OC)c1C 40122267 CNYFGDBVFYCZKF-UHFFFAOYSA-N 357.450 3.867 0 40 FHAB C[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)c1nnnn1-c1ccccc1 40127859 KTABSGCUYOAFEY-CYBMUJFWSA-N 369.498 3.757 0 40 FHAB O=C(COCCOc1ccccc1)Nc1nc(-c2cccc(F)c2)cs1 40131843 CURZUMPDJHYRLG-UHFFFAOYSA-N 372.421 3.983 0 40 FHAB COc1ccc(CN(C)c2ccc(C(F)(F)F)cn2)c(OC)c1OC 40160649 VUUOPWXYZMNNDR-UHFFFAOYSA-N 356.344 3.763 0 40 FHAB Cc1cccc(NS(=O)(=O)c2cc(Br)c(C)cc2C)n1 41096173 ZBBQIPLDGKXPJQ-UHFFFAOYSA-N 355.257 3.570 0 40 FHAB CC(C)OCCCNC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 42033254 ZKOZNJTUZOWMSH-UHFFFAOYSA-N 359.470 3.724 0 40 FHAB O=C(NCCCN1CCCCCC1)c1cc(Br)ccc1F 42674459 NJSNGJLPFNAKHF-UHFFFAOYSA-N 357.267 3.584 0 40 FHAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1csc(-c2cnccn2)n1 44123169 MCMRMBOJJFVNHG-LLVKDONJSA-N 354.410 3.721 0 40 FHAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccnc(-n2cncn2)c1 54673185 BNSWUFCGKRKMDC-UHFFFAOYSA-N 367.718 3.587 0 40 FHAB COc1ccc(-c2csc3nc(COCC(F)(F)F)[nH]c(=O)c23)cc1 55503228 TYUBFXSTAQAYJE-UHFFFAOYSA-N 370.352 3.739 0 40 FHAB Brc1nc(Br)n(C23CC4CC(CC(C4)C2)C3)n1 57531534 KATRCWVKYLQAQL-UHFFFAOYSA-N 361.081 3.728 0 40 FHAB COc1ccc(-c2ncc(CNC3(c4ccc(OC)cc4)CC3)cn2)cc1 57823123 PHNYRRZZRARHTK-UHFFFAOYSA-N 361.445 3.940 0 40 FHAB C[C@@H](OC(=O)CSCc1cc(=O)n2ccsc2n1)C1CCCCC1 66871458 XIVUIFLWKWXNPY-GFCCVEGCSA-N 366.508 3.501 0 40 FHAB CCCNC(=O)c1cccc(NC(=O)CCCOc2ccccc2F)c1 72004609 VRPXVSKDGLSUIU-UHFFFAOYSA-N 358.413 3.763 0 40 FHAB CC(C)N1CC[C@H](CCc2ccc(NC(=O)c3cc[nH]n3)cc2)[C@H](C)C1 72335297 ZPDOVFWOQIPZDK-AEFFLSMTSA-N 354.498 3.961 0 40 FHAB Clc1ncc(COc2cccc(I)c2)s1 84372775 UHYMRCSWTQDKQD-UHFFFAOYSA-N 351.596 3.980 0 40 FHAB C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1nnc(-c2ccccc2)n1C 89920338 KEYLEUDRBQUABH-YJBOKZPZSA-N 350.441 3.999 0 40 FHAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H](C)N1CCSCC1 95432682 BZMTWOWTOCQKOF-NWDGAFQWSA-N 361.338 3.950 0 40 FHAB CS(=O)(=O)Nc1cc(F)ccc1NC(=O)Cc1ccc2ccccc2c1 95459658 NATNEFOMUGJVNI-UHFFFAOYSA-N 372.421 3.532 0 40 FHAB CCCn1cc(NC(=O)N[C@](C)(CC)COc2ncccc2Cl)cn1 95467132 YVBRVFVWUBKQIP-QGZVFWFLSA-N 365.865 3.711 0 40 FHAB Cc1ccc(CN2CC[C@@]3(C2)C(=O)N(CC2CC2)c2ccccc23)s1 96100327 WLYNLTSMGMRWLD-NRFANRHFSA-N 352.503 3.957 0 40 FHAB CO[C@@](C)(CNC(=O)c1cc2ccccc2oc1=O)c1cccc(Cl)c1 96392565 HWTHUNPXSRVTHY-FQEVSTJZSA-N 371.820 3.738 0 40 FHAB CCn1c([C@H](CC(C)C)NC(=O)[C@H]2CC[C@H](OC)CC2)nc2cccnc21 100161814 FKLBHNDLOFBERH-JZXOWHBKSA-N 372.513 3.860 0 40 FHAB C[C@@H](Cc1cc(O)n2ncc(-c3ccccc3)c2n1)n1nnc2ccccc21 100732731 MAHWUVJAFVXYTF-AWEZNQCLSA-N 370.416 3.650 0 40 FHAB Cc1nn(CC(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)c2c1[C@H]1[C@@H](C2)C1(C)C 100744514 NQHRPUQJUPOLDQ-FGXHJERBSA-N 355.526 3.914 0 40 FHAB O=C(O)C1=C[C@@H](c2cccs2)n2nc(SCc3ccccc3)nc2N1 101598709 IYNUEFHBIWBYKX-ZDUSSCGKSA-N 370.459 3.615 0 40 FHAB Cc1ccc(-c2nc(CNC(=O)c3ccccc3Br)no2)cc1 107676962 DXHORPQCRCKWHJ-UHFFFAOYSA-N 372.222 3.738 0 40 FHAB C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(NC(=O)c4ccccc4)cc3)C(=O)[C@H]12 136696016 POWDSLVDQRZCGP-NIKGAXFTSA-N 360.413 3.641 0 40 FHAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccs3)C2=O)cc1 214428642 HULOJMIVCRMGTN-XNTDXEJSSA-N 372.471 3.986 0 40 FHAB O=C(CSc1ccncc1)N1CCS[C@@H](c2cccs2)CC1 219522828 ZFRGWYJAVRTUHZ-OAHLLOKOSA-N 350.534 3.942 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)c(C)c1 219537653 ALLJNGJABFGSPB-INIZCTEOSA-N 365.433 3.779 0 40 FHAB COC(=O)c1cccc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)c1 219859853 RMARYUGCYOPADK-UHFFFAOYSA-N 352.434 3.637 0 40 FHAB Cc1ccc2c(c1)[C@H](NC(=O)c1ccc3c(c1)OCCO3)CC(C)(C)O2 225402882 YRDOSBXXLXUOBW-MRXNPFEDSA-N 353.418 3.798 0 40 FHAB COc1ccc(CCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C 225516115 BQBMEFRTMNUPGM-UHFFFAOYSA-N 366.505 3.902 0 40 FHAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCCN(C)C)cc1 225738962 WEKBVPDVEJAPIB-HXUWFJFHSA-N 350.503 3.941 0 40 FHAB O=C1O[C@@H]2C=CC=CC2=C[C@@H]1C(=O)N1CCS[C@H]1c1ccccc1Cl 252445463 LRACAJQOFCOBDM-KYJSFNMBSA-N 373.861 3.508 0 40 FHAB O=C(NC[C@H](c1ccco1)N1CCSCC1)c1cccc2ccccc12 253394164 ANANNTODBFZNSI-LJQANCHMSA-N 366.486 3.953 0 40 FHAB CC(=O)NC1CCC(NC(=O)c2cccc(Nc3ccccc3)c2)CC1 564751408 XBOVKKQUIIYVRO-UHFFFAOYSA-N 351.450 3.607 0 40 FHAB COc1cccc([C@H]2CN([C@H](C(=O)O)c3cccc(Cl)c3)CCO2)c1 577380690 HXNARWQRBAJXHF-MSOLQXFVSA-N 361.825 3.548 0 40 FHAB C[C@@H](NCc1cnc2n1CCC2)c1cccc(NC(=O)c2ccccc2)c1 657308946 ZSSUFLOSMXHSMX-MRXNPFEDSA-N 360.461 3.932 0 40 FHAB CCc1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc1 1519666179 ZKXJUZZNAPVZFL-CQSZACIVSA-N 360.816 3.577 0 40 FHAB Cc1ccc(N2CCN(C(=O)NCC3(C(F)(F)F)CCCC3)CC2)cc1 1565155746 SWZHMFMPPXYQKD-UHFFFAOYSA-N 369.431 3.949 0 40 FHAB CCSc1ccccc1CC(=O)N[C@H](CC(=O)O)Cc1ccccc1 1597280084 XWKJOZIFWKWXCG-KRWDZBQOSA-N 357.475 3.543 0 40 FHAB CC(C)C(C)(C)C(=O)N1CCC[C@H](N(C)C(=O)c2occ3c2CCC3)C1 1615059090 ZXQVTWBTHYAHJD-INIZCTEOSA-N 360.498 3.514 0 40 FHAB CN(CC1CCN(Cc2ccccn2)CC1)c1cc(C(F)(F)F)ccn1 1888906363 UOXNLFCOSIKHMY-UHFFFAOYSA-N 364.415 3.844 0 40 FHAB Brc1cnn(CC2CN(Cc3cccc4ccccc34)C2)c1 1889255072 ROMBJJVPRYFUJY-UHFFFAOYSA-N 356.267 3.931 0 40 FHAB CCN1CCN(c2ccc(NC(=O)c3ccccc3F)cc2Cl)CC1 809776 ITGNZSJYGDPBMN-UHFFFAOYSA-N 361.848 3.873 0 40 FHAB CC(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc2ccccc2c1 850949 SNMMJPDEKFONAH-VXLYETTFSA-N 374.396 3.684 0 40 FHAB COc1cc(/C=C/C(=O)NC[C@H]2CCCO2)ccc1OCc1ccccc1 951242 NJODESFACMDBDO-FMAYLGMYSA-N 367.445 3.583 0 40 FHAB COc1cc(C2=N/C(=C/C=C/c3ccccc3)C(=O)O2)cc(OC)c1OC 1041643 OSPIILCSAFSNCB-RWZRJOGJSA-N 365.385 3.613 0 40 FHAB O=C(Nc1ccccc1Cl)c1c(O)n2c3c(cccc3c1=O)CCC2 1303398 BGBUWEFCYCEXGL-UHFFFAOYSA-N 354.793 3.559 0 40 FHAB O=C1C(Cl)=C(Nc2ccccc2F)C(=O)N1Cc1ccc(Cl)cc1 1786207 JSMUITVSQUXHRW-UHFFFAOYSA-N 365.191 3.910 0 40 FHAB Cc1c(C(=O)O[C@H](C)C(=O)N(C)Cc2ccccc2)oc2ccccc12 2635782 VEZLITRWVQHJDJ-OAHLLOKOSA-N 351.402 3.945 0 40 FHAB Cc1ccc(C(=O)OCC(=O)c2ccccc2)cc1NC(=O)c1ccco1 3239817 DDZOUTHGBOGACU-UHFFFAOYSA-N 363.369 3.880 0 40 FHAB O=C1NC(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)N1 4123302 PIAXNVBUZPYAGZ-CXUHLZMHSA-N 351.793 3.523 0 40 FHAB Cc1ccc(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c(C)c1 4159245 DSKWVNIHGIPFNP-IBGZPJMESA-N 364.445 3.953 0 40 FHAB CC(C)C[C@H](NC(=O)C1CCC(C)CC1)C(=O)OCC(=O)c1ccccc1 4320745 PYKXGWZKUWCROJ-KVZIAJEVSA-N 373.493 3.770 0 40 FHAB COc1cccc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)O2)c1 4508132 NZLFXRCTHMORSY-DHDCSXOGSA-N 358.191 3.802 0 40 FHAB Cc1cn2c(=O)c(C(=O)Nc3cccc(Cl)c3Cl)cnc2s1 4517286 NROZJDZUOWGLHA-UHFFFAOYSA-N 354.218 3.624 0 40 FHAB O=C(NCc1ccc(F)cc1)c1nc(-c2ccc(C(F)(F)F)cc2)no1 4726645 UPIIICKAXIIQGS-UHFFFAOYSA-N 365.286 3.825 0 40 FHAB O=C(CSCc1ccccc1)N1N=C2CCCC[C@H]2[C@@]1(O)C(F)(F)F 4742438 QHSLZTTVFRCVMZ-CZUORRHYSA-N 372.412 3.559 0 40 FHAB COc1ccc(Nc2nc(COC(=O)c3ccc(O)cc3)cs2)cc1 5693614 CHDBVQCKFVIQTK-UHFFFAOYSA-N 356.403 3.958 0 40 FHAB CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)C12CC3CC(CC(C3)C1)C2 6063643 DTBIBOIPVZQWEI-XXWNAHEMSA-N 359.470 3.551 0 40 FHAB O=S(=O)(c1ccc(Br)cc1Cl)N1CCCCCC1 6508885 YTSXHPCWWKNYBA-UHFFFAOYSA-N 352.681 3.667 0 40 FHAB Cc1ccc(CNC(=O)CSc2nnc(C)n2-c2cccc(C)c2)cc1 6581161 DOIFNYFAENIJAQ-UHFFFAOYSA-N 366.490 3.601 0 40 FHAB C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(N2CCCCC2)cc1 6822294 MYTZCEFEODOMDA-INIZCTEOSA-N 366.465 3.826 0 40 FHAB CCc1ccccc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 7472498 DFKHRWMYHMJQHP-UHFFFAOYSA-N 354.494 3.910 0 40 FHAB CC[C@H](CO)NCc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 8337049 WSTHPKHOQGLTKK-CQSZACIVSA-N 367.848 3.927 0 40 FHAB Cc1nc2cc(NC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)ccc2o1 8369433 UTTUNZJHUVKLTO-CYBMUJFWSA-N 359.426 3.722 0 40 FHAB Cc1ccc(C)c(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2C)c1 8414950 QKFGKPONODJRJH-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB COc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1F 8499655 BWMTVPSLPVIASL-UHFFFAOYSA-N 350.198 3.942 0 40 FHAB Cc1cnc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)cn1 8709359 ZBCPAANYYSUTID-UHFFFAOYSA-N 362.220 3.589 0 40 FHAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2csc3c2CCCC3)c1 9154665 ZPPSRHOINWHFPL-UHFFFAOYSA-N 356.491 3.954 0 40 FHAB COc1cccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)CC(C)C)c1 9242955 WNILOPZTROINHA-UHFFFAOYSA-N 364.445 3.835 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1cccs1 9484198 YHWVVFBNDHJJAV-JTQLQIEISA-N 353.827 3.903 0 40 FHAB CCNC(=O)c1cccc(NC(=O)CNc2ccc3c4c(cccc24)CC3)c1 10185829 FAUNTKHNKWPXDY-UHFFFAOYSA-N 373.456 3.739 0 40 FHAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 10219785 KUPVFQPNTUQGIN-UHFFFAOYSA-N 366.461 3.893 0 40 FHAB O=C(NCCc1nnc2ccccn12)c1ccc(-c2ccccc2Cl)o1 11546686 XKNIIBCFGGWHQI-UHFFFAOYSA-N 366.808 3.615 0 40 FHAB COc1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1Cc1ccccc1 12042007 QXIWJMFLGGLERT-UHFFFAOYSA-N 358.401 3.810 0 40 FHAB COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccsc1)N1CCCC1 12355721 VYLHWHGQHLJXQC-MRXNPFEDSA-N 364.898 3.977 0 40 FHAB CC(=O)NC(=O)c1cc2ccccc2o/c1=N\c1cccc(C(F)(F)F)c1 12437688 NAZPNGFCAQOCNB-MOHJPFBDSA-N 374.318 3.960 0 40 FHAB Cc1cc(OCc2ccc3nsnc3c2)c(C(C)C)cc1-n1cnnn1 12445238 NHQZCDFSEKDZON-UHFFFAOYSA-N 366.450 3.678 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)c2nc(-c3ccccc3)no2)c1C 12613448 GBRGUBADPOXHGK-ZDUSSCGKSA-N 353.378 3.802 0 40 FHAB Cc1nnc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C32SCCS2)s1 12691926 RNNQBFHJSSSTQO-YOGCLGLASA-N 355.554 3.788 0 40 FHAB C[C@H]1CN([C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@@H](C)O1 12693093 WNDMBVYJDCWGJH-KSZLIROESA-N 368.477 3.702 0 40 FHAB COc1ccc(CCSCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 12750395 HNACIPSPKNSBMZ-UHFFFAOYSA-N 358.463 3.568 0 40 FHAB Cn1c(SCc2c(F)c(F)c(F)c(F)c2F)nc2ccccc2c1=O 12773189 NKRIYVJDCHKICI-UHFFFAOYSA-N 372.318 3.921 0 40 FHAB CCCCNc1nnc(S[C@@H](CC)C(=O)Nc2cc(C)on2)s1 12889803 HJTFNISLRSMCAD-JTQLQIEISA-N 355.489 3.556 0 40 FHAB CC(C)(C)c1ccc(C(=O)N2CCCn3c2nc2ccccc2c3=O)cc1 13693083 JVBLDOPPBCRSIJ-UHFFFAOYSA-N 361.445 3.745 0 40 FHAB Cc1nc2c3ccccc3nc(S[C@@H](C)C(=O)Nc3ccccc3)n2n1 14092942 FMNMINGHJKYCSH-LBPRGKRZSA-N 363.446 3.705 0 40 FHAB O=C(C[C@H]1Nc2ccccc2OC1=O)Nc1ccc(Cl)c(Cl)c1 14165515 MYWGCGZNKDDKLE-CYBMUJFWSA-N 351.189 3.722 0 40 FHAB Cc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(C)cc4)no3)n2)cc1 16844776 LRRJIMNUOTYJAT-UHFFFAOYSA-N 358.401 3.625 0 40 FHAB C[C@@H]1CC[C@H]2C(=O)N(c3ccc(OC(=O)c4ccccc4)cc3)C(=O)[C@@H]2C1 18241238 XIQJOGWEMFMGQR-NIKGAXFTSA-N 363.413 3.831 0 40 FHAB Cc1cc(-c2c[nH]nc2[C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)on1 19120856 KIPUUUFOIAXTNW-KRWDZBQOSA-N 368.412 3.809 0 40 FHAB COc1cccc(CNC(=O)c2ccc(-n3ccnc3)c(-n3cccc3)c2)c1 19565655 ZUFXDDSFXLVWBK-UHFFFAOYSA-N 372.428 3.602 0 40 FHAB CNC1CCC2(CC1)CN(C(=O)c1csc(C)c1)Cc1ccccc1O2 19571954 KSZLBBADADPNAB-UHFFFAOYSA-N 370.518 3.992 0 40 FHAB COc1ccc(CN2CC[C@H]3[C@H]2CCCCCN3C(C)=O)cc1OC(C)C 19712058 IJJWQSNXFWALCD-UXHICEINSA-N 374.525 3.848 0 40 FHAB Cc1c(C)n(CCCN2CCOCC2)c2ncnc(NC3CCCCC3)c12 20589114 BCZCTWJPKMHDEK-UHFFFAOYSA-N 371.529 3.515 0 40 FHAB COc1ccc([C@@H]2CC(=O)c3cn4nc(-c5ccccc5)nc4nc3C2)cc1 20671607 VMVUOTKBIRGYGX-INIZCTEOSA-N 370.412 3.713 0 40 FHAB O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc(Cl)c2c(c1)OCCO2 23387275 DWXBHNFLQBDTKR-QWRGUYRKSA-N 363.763 3.962 0 40 FHAB COc1ccc([C@H]2CCCN2c2nccc(C(F)(F)F)n2)c(OC)c1 24054852 ZEANYHAPZKUMSM-CYBMUJFWSA-N 353.344 3.854 0 40 FHAB c1cc2c3c(cccc3c1)C(N1CCN(Cc3ccc4c(c3)OCO4)CC1)=N2 25329523 XIUDFVZYAKXVFR-UHFFFAOYSA-N 371.440 3.778 0 40 FHAB CCCCOc1cccc(C(=O)NCC2(N3CCOCC3)CCCCC2)c1 27579848 GJIRYWGFKWVDRW-UHFFFAOYSA-N 374.525 3.630 0 40 FHAB O=C(NCc1ccco1)c1ccn(COc2cccc(Cl)c2Cl)n1 27972578 OMBJUKDVDJHSPE-UHFFFAOYSA-N 366.204 3.749 0 40 FHAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(Cn2cc(Cl)cn2)o1 27982330 QJTGTPGQDGNFND-KRWDZBQOSA-N 355.825 3.985 0 40 FHAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 28195912 SGRXUUFLBQUKMY-UHFFFAOYSA-N 374.245 3.889 0 40 FHAB C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)n1cc(Br)cn1 28304410 LACOGFOLOJUYEC-QMMMGPOBSA-N 362.149 3.864 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)c(F)c1 28309307 TYNZBNYHZOQVCT-UHFFFAOYSA-N 374.416 3.800 0 40 FHAB O=C(CCc1nc(-c2ccccc2)no1)Nc1nc2c(s1)CCCC2 31305288 NPMHEANCSCSOTD-UHFFFAOYSA-N 354.435 3.643 0 40 FHAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)cc1Cl 31546996 BKZPQRFGBGOSFH-UHFFFAOYSA-N 370.858 3.571 0 40 FHAB O=C(CCCc1nc(-c2cccs2)no1)NCCc1ccc(F)cc1 31677465 ABRBUDXNXZCAOP-UHFFFAOYSA-N 359.426 3.619 0 40 FHAB COc1ccc(C(=O)CSc2nnc(-c3cccnc3)o2)cc1Cl 31691697 UHTPKQHXGGFHRB-UHFFFAOYSA-N 361.810 3.769 0 40 FHAB COc1cccc(C(=O)N(Cc2cccc3[nH]ccc23)C2CC2)c1OC 32088057 HHOQGGOMJBTREV-UHFFFAOYSA-N 350.418 3.990 0 40 FHAB C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 32818760 CRQBDOACRBOBMA-NSHDSACASA-N 371.462 3.944 0 40 FHAB Cc1ccc(C(N)=O)c(OCc2ccc(C(=O)Nc3ccccc3)cc2)c1 32866082 FXXLYNGYTDWPBC-UHFFFAOYSA-N 360.413 3.925 0 40 FHAB COc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCC[C@H](C)C2)cc1 34690425 KMUYYDKGQKKFLS-BLLLJJGKSA-N 372.494 3.635 0 40 FHAB C[C@@H]1C[C@@H](C)CN(C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C1 35292692 UGIMLWFYZFHTQV-UEKVPHQBSA-N 352.887 3.647 0 40 FHAB COc1ccc2c(c1)C(=O)CC1(CCN(Cc3ccc(F)cc3)CC1)O2 39226869 BMZYPSUOIDCJJT-UHFFFAOYSA-N 355.409 3.834 0 40 FHAB CCOc1ccc2nc(NC(=O)Cc3cn4ccccc4n3)sc2c1 40047171 HJDNEUHIKJCPKV-UHFFFAOYSA-N 352.419 3.524 0 40 FHAB CSc1nccn1-c1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1 40135739 MJBJUKLMKDNYRH-QGZVFWFLSA-N 365.458 3.848 0 40 FHAB CC(C)[C@@H](NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1)C(=O)O 40867906 XFAYXZRHJGGESW-XEDBTPMOSA-N 353.418 3.504 0 40 FHAB O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@@H]2Nc1ccccc1Cl 41104814 JTSXGRICXGIDPR-INIZCTEOSA-N 359.857 3.795 0 40 FHAB CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C2 42631313 DCTHVLSDKDXVPO-WPKBUWHJSA-N 371.449 3.628 0 40 FHAB CC(=O)N(C)Cc1ccccc1NC(=O)[C@@H](C)SCc1ccccc1 44501803 HNJREZUVKHRJBJ-OAHLLOKOSA-N 356.491 3.925 0 40 FHAB CC(C)c1ccc(-c2noc(CCC(=O)N3CCO[C@@H]4CCC[C@@H]43)n2)cc1 53382978 JKCLLZDBHDNLQW-ZWKOTPCHSA-N 369.465 3.573 0 40 FHAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CCCn1cncn1 54128120 FVSKGFJCYLYMFI-UHFFFAOYSA-N 358.829 3.630 0 40 FHAB CCOc1ccc(-c2noc(-c3cn(C)c4ccc(C)cc4c3=O)n2)cc1 57354787 TZFMCLKSAYYILY-UHFFFAOYSA-N 361.401 3.963 0 40 FHAB Cc1nc(NC[C@H](O)c2ccc(F)c(F)c2)c2c3c(sc2n1)CCC3 58378564 GLTUPUXNNZFLMY-AWEZNQCLSA-N 361.417 3.912 0 40 FHAB O=C(CN1C(=O)c2ccccc2N[C@@H]1c1ccccc1)Nc1ccccc1O 61721004 DUIKETJLVMGYDB-NRFANRHFSA-N 373.412 3.597 0 40 FHAB COc1ccc(CCCNC(=O)CCSc2ccccc2)cc1OC 65086536 DVPXFWHNVZEPQD-UHFFFAOYSA-N 359.491 3.935 0 40 FHAB O=C(c1cnc2ccc(Cl)cc2c1NCc1ccco1)N1CCOCC1 67288400 AQUILIMBVFHZFT-UHFFFAOYSA-N 371.824 3.566 0 40 FHAB CC(C)(C)c1nsc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)n1 68072231 RXYFFPMZSNIJSC-UHFFFAOYSA-N 361.858 3.927 0 40 FHAB CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC)c2)cc1 68900469 MMEGAFJBRKXAKG-UHFFFAOYSA-N 374.506 3.888 0 40 FHAB O=C(c1ccc(F)cc1I)N1CC[C@H]2CCCC[C@@H]21 72057439 WGLPEDWEFRTGMW-YGRLFVJLSA-N 373.209 3.835 0 40 FHAB O=C(COc1ccccc1)N1CCC[C@H]1c1ccc(Nc2ccccn2)cn1 72353031 HNJRTKGRBFSUIG-FQEVSTJZSA-N 374.444 3.963 0 40 FHAB O=C(CC1CCCC1)N1CCCC[C@@H]1c1ccnc(Nc2cnccn2)n1 72377977 SALZXNBMACNLAE-QGZVFWFLSA-N 366.469 3.644 0 40 FHAB O=C(NC1CCCC1)c1cc([C@H]2CCCN(Cc3ccc(F)cc3)C2)[nH]n1 72380522 PPQJNBDYKBQJOE-INIZCTEOSA-N 370.472 3.601 0 40 FHAB CCN(CC)[C@@H](C(=O)Nc1cc(NC(C)=O)ccc1C)c1ccccc1 75108851 MYYCHNWHGXSIOU-HXUWFJFHSA-N 353.466 3.975 0 40 FHAB O=C(c1ccn(-c2ccccc2F)n1)N1CCCc2cc(F)cc(F)c21 77653100 FMKPPPWTWSPZLH-UHFFFAOYSA-N 357.335 3.883 0 40 FHAB CC(C)c1cc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)n(-c2ccccc2)n1 95474673 FQYHUSDAYMMPIR-HTAPYJJXSA-N 367.493 3.763 0 40 FHAB Cc1ccc(N[C@@H](C(N)=O)c2ccc(Br)cc2F)cc1F 95962407 JLYJWPCFBGXHDK-CQSZACIVSA-N 355.182 3.674 0 40 FHAB O=C(Nc1ccccc1)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccco1 96114194 NWFPLVSYMQARTK-YLJYHZDGSA-N 373.364 3.918 0 40 FHAB biogenic C/C(=C\C(=O)NCCC(=O)N1CCCc2ccccc21)c1ccc(F)cc1 96134092 XOIJJLMMAZLCOL-FOCLMDBBSA-N 366.436 3.715 0 40 FHAB COC(=O)C[C@@H](c1cc(F)c(F)c(F)c1)c1c(O)ccc2nsnc12 96232042 GKDPGJVLDXHDJM-QMMMGPOBSA-N 368.336 3.509 0 40 FHAB C[C@H]1[C@@H](c2ccccc2)C[C@H]1NCc1ccc(N2CCO[C@H](C)C2)nc1 97085064 RFXOPPJGKVXIGQ-SQBLYHGDSA-N 351.494 3.589 0 40 FHAB C[C@@H]1C[C@H](Nc2ccc(-c3ncn(C)n3)cc2)CCN1Cc1ccccc1 97371265 TXSSJMGUOVZIRN-DYESRHJHSA-N 361.493 3.947 0 40 FHAB CC[C@@H](NC(=O)Cc1ccc(OC)c(C)c1)c1ccc(OC)c(OC)c1 223139185 XZZPNDSEOREAKJ-QGZVFWFLSA-N 357.450 3.831 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)COc2cccc3c2CCCC3)c1 223407953 RMYBZFOFRBANQF-UHFFFAOYSA-N 353.418 3.678 0 40 FHAB Cc1ccc(C)c(OCCNC(=O)COc2cccc3c2CCCC3)c1 224045287 MSXHMHKDIQYOLI-UHFFFAOYSA-N 353.462 3.756 0 40 FHAB COc1cccc(OCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 224991624 NSBWGJJLVRNDHD-UHFFFAOYSA-N 363.841 3.701 0 40 FHAB Cc1ccc(C(=O)NCC2CCCCC2)c(I)c1 225030686 RATIEDWQDIXAQX-UHFFFAOYSA-N 357.235 3.910 0 40 FHAB Cn1c(=O)sc2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 225047037 GHJQKIMAYXYGIZ-UHFFFAOYSA-N 370.474 3.915 0 40 FHAB Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cccc(F)c2)cc1 225313014 BSDVDKLPXQNARS-UHFFFAOYSA-N 356.422 3.803 0 40 FHAB Cc1ccccc1CN(C(=O)Cc1ccc(F)cc1)[C@H](C)C(=O)NC(C)C 225495589 ZROKMANJCFPALL-QGZVFWFLSA-N 370.468 3.619 0 40 FHAB CCOC(=O)c1cc(NC(=O)C2(OC)CCCCC2)ccc1OC(C)C 225805237 XRWYJTWAHAHCKK-UHFFFAOYSA-N 363.454 3.938 0 40 FHAB COCCN(Cc1cccn1C)C(=O)c1ccc2nc(Cl)sc2c1 225982922 RIFPXJQRNRIYFU-UHFFFAOYSA-N 363.870 3.577 0 40 FHAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)[C@H]2C[C@H]3C=C[C@H]2O3)sc1C 251981877 GBYWVDVCHUMISO-QKPAOTATSA-N 360.504 3.565 0 40 FHAB Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCCN2Cc2scnc2C)n1 257238515 HLJJBBJQRPIITM-MRXNPFEDSA-N 354.483 3.667 0 40 FHAB c1ccc([C@@H]2CN(CC3CC3)Cc3cnc(Nc4cccnc4)nc32)cc1 306136310 PPRLEBZDZMSIHX-FQEVSTJZSA-N 357.461 3.973 0 40 FHAB CCn1c(COc2ccccc2)nnc1SCc1cccc(C(=O)O)c1 409386721 WZFHEMVCFJGSDG-UHFFFAOYSA-N 369.446 3.868 0 40 FHAB O=C(CSCc1ccc(Cl)cc1Cl)N1CC(n2ccnc2)C1 523688862 KZDPFILOGAVRFV-UHFFFAOYSA-N 356.278 3.507 0 40 FHAB CCCc1c(NC(=O)N2CCC[C@H](CC(=O)O)C2)cnn1-c1ccccc1 563692219 RJWXYMADSZWATK-OAHLLOKOSA-N 370.453 3.543 0 40 FHAB CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@H](OC(C)=O)[C@]3(C)C[C@H]3O[C@]231 575624715 RTQHUAHEQACVGY-RACICXKXSA-N 370.445 3.520 0 40 FHAB Cc1cccnc1OCC1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 585527593 VAVJTKGRPFSBTN-UHFFFAOYSA-N 368.452 3.878 0 40 FHAB CC1(c2ccccc2)CCC(NC(=O)[C@H]2CNC(=O)c3ccccc32)CC1 626189004 HQSIAJBDSCJFIY-GTPZEUEISA-N 362.473 3.530 0 40 FHAB Cc1ccc(F)cc1NC(=O)[C@H](C)N1CCC2(CC1)C(F)(F)C2(F)F 649710732 LDSZKZRQLSBNMX-NSHDSACASA-N 362.342 3.828 0 40 FHAB CC(C)(C)C(=O)NC1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 1204417693 SWBVIQFHRQVIQA-UHFFFAOYSA-N 358.404 3.712 0 40 FHAB Fc1ccccc1C1CCN(Cc2cnc(Br)cn2)CC1 1249491854 BPNDSHQQYQBXNQ-UHFFFAOYSA-N 350.235 3.758 0 40 FHAB COc1ccc2ccc(C[C@@H](CC(=O)O)NC(=O)OC(C)(C)C)cc2c1 1772714673 GWRBVNZADVWKRB-INIZCTEOSA-N 359.422 3.759 0 40 FHAB O=C(NCc1ccc(Cl)cc1)NC[C@H](O)c1ccc(-c2ccco2)o1 1775966291 WMNNODQIRXTRLQ-AWEZNQCLSA-N 360.797 3.726 0 40 FHAB Cc1cc(OC[C@@H]2CCCN(c3ncnc4cc(F)ccc34)C2)ccn1 1775972687 RBLYLBXIDKYSNF-OAHLLOKOSA-N 352.413 3.768 0 40 FHAB Cc1ncnc(N2CCC[C@H](COc3ncccc3C(F)(F)F)C2)c1C 1776001330 NJVVSNPWIQAOBA-AWEZNQCLSA-N 366.387 3.803 0 40 FHAB Cc1cc(Nc2ncc(C)s2)nc(C2CN(C(=O)OC(C)(C)C)C2)n1 2037834919 HWDUDUVZGLKOOP-UHFFFAOYSA-N 361.471 3.628 0 40 FHAB O=C1CO[C@]2(CCCN(Cc3ccccc3)CC2)CN1c1cccc(F)c1 2037841203 ZYIWRSSMUQYGJI-QFIPXVFZSA-N 368.452 3.614 0 40 FHAB COC(=O)c1cc(CN(C)C(=O)Cc2c(Cl)cccc2Cl)oc1C 8924687 NKRRGDYQZMOARM-UHFFFAOYSA-N 370.232 3.883 0 40 FHAB CCN(CCCOc1ccccc1C)Cc1ccc(C(=O)N(C)C)cc1 77383442 VJVKEHGUXGHDAL-UHFFFAOYSA-N 354.494 3.988 0 40 FHAB CCCC(=O)Nc1ccc2nc(SCC(=O)N3CCCC3)sc2c1 624670 LEQNUDRMRRXKHY-UHFFFAOYSA-N 363.508 3.749 0 40 FHAB COc1ccccc1NC(=O)NC1(C(F)(F)F)Oc2ccccc2O1 646267 BXMMXWKDPSEQKN-UHFFFAOYSA-N 354.284 3.504 0 40 FHAB CCC(=O)N(Cc1cccs1)Cc1cc2cc(C)ccc2n2nnnc12 1377000 STFNIJGKOYRMAB-UHFFFAOYSA-N 365.462 3.586 0 40 FHAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1N1CCOCC1 2621169 BWWFYOFUFFCKLE-UHFFFAOYSA-N 363.417 3.739 0 40 FHAB COc1ccc2c(CC(=O)Nc3cccnc3N3CCCC3)coc2c1 47225710 NJSJSIWPAJJEKN-UHFFFAOYSA-N 351.406 3.618 0 40 FHAB CCC1=NN(C(=O)COc2cc(C)ccc2C(C)C)[C@@](O)(C(F)(F)F)C1 4163416 MJDQYXQDZWPGFN-KRWDZBQOSA-N 372.387 3.746 0 40 FHAB C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)[C@@H]1COc2ccccc2O1 892576 DGJSKZNSBZWPBA-HWPZZCPQSA-N 352.217 3.952 0 40 FHAB CCCN(Cc1ccccc1)C(=S)Nc1ccc2nc[nH]c(=O)c2c1 4939116 HBMMDPWBIAVSDW-UHFFFAOYSA-N 352.463 3.532 0 40 FHAB CC(C)C(=O)NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 6563600 ITLBENGLUHNATQ-UHFFFAOYSA-N 373.869 3.543 0 40 FHAB COc1ccc2cc3c(nc2c1)N(NC(=O)Nc1cccc(Cl)c1)CC3 6911349 BZJHDKQARKJGFB-UHFFFAOYSA-N 368.824 3.996 0 40 FHAB CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccccc1 7939848 MUBSGAIUERNYPM-UHFFFAOYSA-N 368.433 3.540 0 40 FHAB O=C(NCCSCc1ccsc1)N1CCN(c2ccccc2)CC1 10083762 XAPSMZXINNMCLZ-UHFFFAOYSA-N 361.536 3.513 0 40 FHAB COc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)c(OC)c1OC 24830841 DVSWUAKUDZQTAV-JTQLQIEISA-N 362.451 3.546 0 40 FHAB Cc1c(Cl)cccc1NC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 8684605 OOBUIHNECFZFCS-UONOGXRCSA-N 373.909 3.626 0 40 FHAB O=C(N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1)c1ccc[n+]([O-])c1 8394962 GTTUUYPZIDSBCM-FQEVSTJZSA-N 364.470 3.780 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@H](C)Nc1cccc(CN2CCOC2=O)c1 56160897 PGXQEBBYTWUJNT-INIZCTEOSA-N 367.449 3.695 0 40 FHAB O=C(NC1CC1)c1cccc(NC(=O)c2ccccc2Br)c1 9746499 QWMRJMLYIPBDKB-UHFFFAOYSA-N 359.223 3.594 0 40 FHAB O=C1C(Cl)=C(Nc2cccc(F)c2)C(=O)N1Cc1ccc(Cl)cc1 1786222 UYFLHGLDXNMUHB-UHFFFAOYSA-N 365.191 3.910 0 40 FHAB Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc(C)cc4)CC3)n[nH]2)cc1 57477108 VLBVZFHMOZGUSE-UHFFFAOYSA-N 360.461 3.656 0 40 FHAB COc1ccc(Cl)cc1NC(=O)c1c2c(nc3onc(C)c13)CCC2 35686462 YBZIQRJVPZUSPM-UHFFFAOYSA-N 357.797 3.934 0 40 FHAB COc1cccc(NC(=O)[C@H](OC(=O)c2ccco2)c2ccccc2)c1 3224104 NNOCIAUTIDIDAI-GOSISDBHSA-N 351.358 3.825 0 40 FHAB COc1ccccc1CNC(=O)c1cccnc1Nc1ccccc1F 22073059 CMLJJERAVUIMMW-UHFFFAOYSA-N 351.381 3.903 0 40 FHAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2=NCCS2)cc1 10021117 BIQKPDFLUBQXQG-UHFFFAOYSA-N 362.458 3.680 0 40 FHAB C[C@H](CNC(=O)Nc1cccc(CN2CCOC2=O)c1)c1ccccc1 58132923 BDWPDQRLWWIACN-OAHLLOKOSA-N 353.422 3.564 0 40 FHAB CCCCNC(=O)CSc1nc2ccsc2c(=O)n1CCC(C)C 57478561 HHLYFKZYNHTDCU-UHFFFAOYSA-N 367.540 3.513 0 40 FHAB C[C@@H]1CCCCN1C(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 12601787 WONLJMFMYNSLQU-YGRLFVJLSA-N 372.412 3.909 0 40 FHAB C[C@@]1(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)CC1(Cl)Cl 58364867 NHCRLZBRFLACTL-HOCLYGCPSA-N 356.249 3.609 0 40 FHAB CCc1noc(CN(C)C(=O)c2cc(-c3ccncc3)nc3ccccc23)n1 58328877 MRFULLZYSZEJPI-UHFFFAOYSA-N 373.416 3.514 0 40 FHAB O=C(c1cnn(-c2ccccc2F)c1)N(C[C@H]1CCOC1)c1ccccc1 58681542 DLOTZBJDYGREAM-MRXNPFEDSA-N 365.408 3.695 0 40 FHAB O=C(CCNC(=O)Nc1ccccc1)NCc1cccc(C(F)(F)F)c1 12748244 NFGMZBKXUULXHZ-UHFFFAOYSA-N 365.355 3.533 0 40 FHAB COc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1F 12768852 VRCBMHYDEOZZKA-QGZVFWFLSA-N 371.408 3.973 0 40 FHAB CSc1ncccc1C(=O)Nc1cc(Cl)ccc1N1CCOCC1 3326704 PUASUUUADGTMIY-UHFFFAOYSA-N 363.870 3.546 0 40 FHAB CCn1c(S[C@@H](C(=O)Nc2ccc(OC)cc2)C(C)C)nnc1C1CC1 11116644 IREIACYMOAGLJP-MRXNPFEDSA-N 374.510 3.939 0 40 FHAB CCn1nc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)cc1C 36616528 XCAOGUUHTMDYHR-UHFFFAOYSA-N 374.448 3.895 0 40 FHAB CCn1nc(C)c2c(C(=O)Nc3ccc(-n4ccc(C)n4)cc3)cc(C)nc21 28243532 GNCQVKRAECVIFW-UHFFFAOYSA-N 374.448 3.814 0 40 FHAB CCCOC(=O)c1c(N)n(-c2ccc(F)cc2)c2nc3ccccc3nc12 2401606 SVIOATGBLGBETG-UHFFFAOYSA-N 364.380 3.862 0 40 FHAB Cc1cc(C(=O)COc2ncnc3sccc23)c(C)n1C[C@@H]1CCCO1 3343946 ACVHIQOEYRTNSZ-AWEZNQCLSA-N 371.462 3.550 0 40 FHAB Cc1ccc(Cl)cc1NCC(=O)Nc1cccc(C(=O)NC2CC2)c1 11550198 LDHVNSLRTPZVPN-UHFFFAOYSA-N 357.841 3.591 0 40 FHAB COc1ccccc1C(=O)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2 11695804 QKRQLESVIVDSLU-UHFFFAOYSA-N 373.412 3.545 0 40 FHAB Cc1cc(S[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)ncn1 2659843 YVNJPTIVLHWISA-LLVKDONJSA-N 356.706 3.736 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(C(C)=O)s2)cc1OC 12852837 CUBCRDZUCZUJCV-CQSZACIVSA-N 359.447 3.945 0 40 FHAB CNC(=O)c1ccc(NC(=O)COc2ccc3c(c2)[nH]c2ccccc23)cc1 12945417 ZHSLLSQAVONPJM-UHFFFAOYSA-N 373.412 3.698 0 40 FHAB COc1ccccc1CCNC(=O)c1csc(-c2ccc(F)cc2)n1 12986557 TTYNKPZYDJJXGB-UHFFFAOYSA-N 356.422 3.930 0 40 FHAB O=C(Nc1cccc(F)c1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12976437 NLKISGWIESMRAY-FRXJQHJJSA-N 370.468 3.972 0 40 FHAB Cc1ccc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1Cl 13042386 SMSLCFGXLZAQRQ-UHFFFAOYSA-N 355.825 3.846 0 40 FHAB COc1ccc2c(CC(=O)N(C)CCOc3ccccc3F)coc2c1 13007611 NBOLCINMFYXXMF-UHFFFAOYSA-N 357.381 3.660 0 40 FHAB CCN(C(=O)[C@H](C)Sc1nc(N)c2ccsc2n1)c1ccccc1 9112903 BTJHBBYGJWZTQF-NSHDSACASA-N 358.492 3.807 0 40 FHAB CCn1ncc(-c2nn3c(-c4ccc(Cl)cc4F)nnc3s2)c1C 49550342 NKFCQAXNSLMGPH-UHFFFAOYSA-N 362.821 3.837 0 40 FHAB COC(=O)c1cccc2c1[S@@](=O)OC2(c1ccccc1)c1ccccc1 4142984 ITHKHPTWLYXMOA-AREMUKBSSA-N 364.422 3.818 0 40 FHAB COC(=O)[C@@H](CNC(=O)Nc1ncc(-c2ccccc2)s1)CC(C)C 72304731 RZAHGVTWAWUIHI-CQSZACIVSA-N 361.467 3.767 0 40 FHAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccc2ccccc2n1 14071433 SLJANTNMDZWMEC-PGRDOPGGSA-N 357.457 3.991 0 40 FHAB Cc1sc2nc(SCC(=O)c3ccc[nH]3)n(C(C)C)c(=O)c2c1C 14109583 IJOQUJGYUZNZLT-UHFFFAOYSA-N 361.492 3.959 0 40 FHAB CCn1c2ccccc2c2nnc(S[C@H](C)C(=O)NC3CCCC3)nc21 4509948 AYJDHCUECWPWHK-GFCCVEGCSA-N 369.494 3.539 0 40 FHAB CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c2ccccc12)c1nc2ccccc2[nH]1 6505100 DWZQFHGZCBGCLO-LJQANCHMSA-N 360.417 3.532 0 40 FHAB O=C(c1nccnc1-c1nc2ccccc2s1)N1CCc2ccccc21 6662114 AYMRACLMALEBBY-UHFFFAOYSA-N 358.426 3.956 0 40 FHAB O=C1CC(c2cccc([N+](=O)[O-])c2)=NN1c1cc(Cl)cc2ncccc12 28628970 WLHALHLPMZWUHY-UHFFFAOYSA-N 366.764 3.937 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2sc(-c3ccccc3)nc2C)no1 7841406 PXIGPQHRNCJUTN-GFCCVEGCSA-N 371.418 3.599 0 40 FHAB O=S(=O)(NC1CCCCCC1)c1ccc(Br)cc1F 68741069 CUJSDPBYUGKTLN-UHFFFAOYSA-N 350.253 3.589 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)Cc1ccc(N2CCCC2=O)cc1 8137289 QGNISNNFZVWWCU-UHFFFAOYSA-N 372.852 3.965 0 40 FHAB CCC(=O)c1ccc(OC[C@H](O)CN[C@@H]2CCSc3ccccc32)cc1 8328163 JCBYCIOFXHPMEI-VQIMIIECSA-N 371.502 3.846 0 40 FHAB CCN(c1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1)S(=O)(=O)CC 113964136 BYKKRNHDBDOGBG-UHFFFAOYSA-N 360.479 3.732 0 40 FHAB Cc1[nH]c2ccc(C(=O)N(C)CC(=O)Nc3cccc(F)c3)cc2c1C 18005957 NKMXJDPUWKFLNI-UHFFFAOYSA-N 353.397 3.635 0 40 FHAB Cc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(c4ccc(F)cc4)CC3)c2c1 20714334 MUYISJULCGSSSG-FQEVSTJZSA-N 367.424 3.563 0 40 FHAB CSc1ccc([C@H]2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)cc1 8739505 MOXUPNHZVMSDJQ-OAHLLOKOSA-N 363.442 3.633 0 40 FHAB O=C(Cc1ccccc1)Oc1ccccc1/C=C1/N=C(c2ccco2)OC1=O 408840322 ANLBWKYQKMHGNA-SAPNQHFASA-N 373.364 3.772 0 40 FHAB Cc1cc(NC(=O)N[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)ccc1F 89587777 JDWVIZQZQUCUAB-AWEZNQCLSA-N 358.339 3.910 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1C(=O)NC(C)C 408589864 FXJVWNZHHXWZSZ-UHFFFAOYSA-N 360.479 3.551 0 40 FHAB CC(C)(C)c1ccc(CCC(=O)NC[C@@H]2COc3ccccc3O2)cc1 21873050 LMYVWZMJNDEPPA-GOSISDBHSA-N 353.462 3.873 0 40 FHAB COc1cccc(Nc2ncccc2C(=O)NCc2ccccc2OC)c1 22073031 JVFHGSWWIGVSMK-UHFFFAOYSA-N 363.417 3.772 0 40 FHAB COc1cc(NC(=O)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)ccc1F 547755449 NNPYQBWSFUJDJK-AWEZNQCLSA-N 372.318 3.708 0 40 FHAB CCCCN(C)C(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C 60019956 JTMRUVBJZRAFEA-NRFANRHFSA-N 354.494 3.782 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)NCCCCc3ccccc3)CC2=O)cc1C 408709175 YIQCLONNXPSGMO-HXUWFJFHSA-N 364.489 3.795 0 40 FHAB COc1ccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1OC 39759215 DVKVTBJRPRXROG-UHFFFAOYSA-N 368.477 3.863 0 40 FHAB CC[C@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2C)C1)C(=O)c1ccccc1 408652997 PKUAHWMSJREIEE-HKUYNNGSSA-N 365.429 3.553 0 40 FHAB COc1ccc(F)cc1[C@H](O)CN1CCC[C@H](c2nc3ccccc3[nH]2)C1 36743862 FFQFCTWXWGLSBF-IFXJQAMLSA-N 369.440 3.624 0 40 FHAB O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2CN(C3CCC3)C[C@H]21 306143943 YRKUXILSNJBNQT-AZUAARDMSA-N 357.450 3.600 0 40 FHAB O=C(O)[C@H]1CS[C@@H](c2ccc(COc3c(Cl)cccc3Cl)o2)N1 36612349 TZRQVNAOFSMRFZ-RISCZKNCSA-N 374.245 3.954 0 40 FHAB COc1ccccc1NC(=O)[C@H]1CCCN1C(=O)Nc1ccc(C)cc1 35289381 DLPYGQGHYOOUIS-QGZVFWFLSA-N 353.422 3.639 0 40 FHAB CC(=O)c1cc2c(cc1NC(=O)c1cnc(-c3ccccc3)s1)OCO2 40129400 CPDQBPMAKZBMRJ-UHFFFAOYSA-N 366.398 3.994 0 40 FHAB O=C(CCSc1ccccc1)Nc1cc(-c2cccs2)nn1CCO 42384609 VCBIUYZEGCHMCY-UHFFFAOYSA-N 373.503 3.725 0 40 FHAB COC(=O)c1ccc(NC(=O)c2snnc2-c2ccc(Cl)cc2)cc1 225770668 NDYRUXNZWDFBDO-UHFFFAOYSA-N 373.821 3.897 0 40 FHAB COc1cccc(-c2cnc(CCC(=O)NCc3ccc(C)cc3)o2)c1 224843200 QIAAOSAQSIIYIZ-UHFFFAOYSA-N 350.418 3.908 0 40 FHAB CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)cc1 224865808 GDXBQCGINBRXIX-UHFFFAOYSA-N 359.369 3.929 0 40 FHAB CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2cccc(Cl)c2)CC1 40145952 UWIFQSCYITVWFS-UHFFFAOYSA-N 353.850 3.861 0 40 FHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 223383214 HYDVWIFDEGPMKW-CQSZACIVSA-N 352.434 3.930 0 40 FHAB Cc1cc(C(=O)N2CCC(Oc3nc4c(C)ccc(C)c4s3)CC2)no1 49442662 KFEAPYAMMWGVHG-UHFFFAOYSA-N 371.462 3.893 0 40 FHAB CCOC(=O)c1cc(NC(=O)[C@@](C)(CC)OC)ccc1OCC(C)C 225790927 XQDSCCGKBMRZAP-LJQANCHMSA-N 351.443 3.652 0 40 FHAB CC(=O)Nc1cccc(NC(=O)c2cc3cccc(Cl)c3oc2=O)c1 226040781 AMICNQMSRIKKQQ-UHFFFAOYSA-N 356.765 3.657 0 40 FHAB CCCCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 199425620 LKPCVPNHICTJLR-NRFANRHFSA-N 361.445 3.629 0 40 FHAB O=C(Cc1ccco1)N1CC[C@H](OCC2CC2)[C@@H](Cc2ccccc2)C1 96110609 LZGPIGPCMKOPMO-FPOVZHCZSA-N 353.462 3.709 0 40 FHAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2CN(O)C[C@@H]1C(=O)[C@@]2(C)CC[C@H]1C2(C)C 245239611 LBABUPQHIRDXKV-SELGYLMWSA-N 361.526 3.960 0 40 FHAB O=S(=O)(Nc1cnc(Oc2ccccc2)nc1)c1ccc(Cl)cc1 85557398 LUEWPKOAFXZRSQ-UHFFFAOYSA-N 361.810 3.723 0 40 FHAB O=C(c1cncnc1)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257206302 BCTLNNSPEFTDJY-QGZVFWFLSA-N 368.824 3.686 0 40 FHAB Cc1cc(CCC(=O)N[C@H](Cn2nccn2)c2ccccc2)ccc1Cl 253407293 VVAVEQUVOIYHBU-LJQANCHMSA-N 368.868 3.730 0 40 FHAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3CCOC)N21 260769239 KQIOUSLLFDFHEI-OLMNPRSZSA-N 356.495 3.509 0 40 FHAB CCn1nc(C)cc1C(=O)Nc1cc(O[C@H](C)c2ccccc2)ccn1 622160338 QWJDAKCUAWYLBM-OAHLLOKOSA-N 350.422 3.999 0 40 FHAB CCc1ccc2oc(=O)cc(CN3CCN(c4ccccc4F)CC3)c2c1 54106005 GEOJDFIBFFJVQG-UHFFFAOYSA-N 366.436 3.817 0 40 FHAB biogenic COc1cc2c(cc1OC)CN(C(=O)CCCCCn1cccc1)CC2 604405176 LWYCGQDMFAQVBQ-UHFFFAOYSA-N 356.466 3.651 0 40 FHAB biogenic CCn1ccnc1[C@@H]1OCC[C@H]1CNCc1ccc2nc(C)ccc2c1 657651977 WUDWSVZDXIUJLS-AZUAARDMSA-N 350.466 3.627 0 40 FHAB CCOc1ccc(-c2noc(-c3cnc4ccnn4c3C)n2)cc1Cl 1217300721 FBDGVDPCXLFDOZ-UHFFFAOYSA-N 355.785 3.807 0 40 FHAB Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1 13938133 WENYDDNJAAIWCD-LBPRGKRZSA-N 354.269 3.797 0 40 FHAB O=C(Nc1ccccc1)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O 5304997 LMIVMHHUGQRAHO-UHFFFAOYSA-N 373.387 3.836 0 40 FHAB CCOc1ccc(NC(=O)CSCC(=O)Nc2ccc(CC)cc2)cc1 5463827 KXXYHGQKTIQCLF-UHFFFAOYSA-N 372.490 3.958 0 40 FHAB CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)COc2ccccc2)c1 5606884 AMRBRSQFJHPQIX-UHFFFAOYSA-N 358.463 3.582 0 40 FHAB O=C(c1ncoc1-c1ccccc1F)N1CCN(c2ccccc2F)CC1 12115139 CAJGNMVIRSJFNE-UHFFFAOYSA-N 369.371 3.582 0 40 FHAB COc1ccc([C@@H]2[C@@H](NC(=O)c3cccnc3)[C@@H]3CCCC[C@H]32)cc1OC 12162491 HCGPWYBTIKQQKW-JYWFKMLOSA-N 366.461 3.801 0 40 FHAB O=C(Cc1cccs1)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1 12183161 COTRYTIJQRUSKL-QGZVFWFLSA-N 355.438 3.809 0 40 FHAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 12219900 PHKBVABBZOHAFM-MRXNPFEDSA-N 365.481 3.961 0 40 FHAB Cc1ccc([C@@]2(O)CC[C@@H]3CN(Cc4cccc(OC(C)C)c4)C[C@@H]32)nc1 19216132 CORQHGVQILMBFE-UNWVZKJWSA-N 366.505 3.907 0 40 FHAB COP(=O)(OC)[C@H](O)/C=C(\Cl)c1ccc(Br)cc1 2557654 ZMMXPZIFOLWFSX-BRNRAETOSA-N 355.552 3.833 0 40 FHAB CC(C)N(C)Cc1ccccc1CNC(=O)c1cnnc(-c2ccccc2)c1 516606747 PRDCZVHRDPOSSO-UHFFFAOYSA-N 374.488 3.914 0 40 FHAB Cc1onc(C(C)C)c1C(=O)Nc1nnc(Cc2cccc(F)c2)s1 12193486 KUBBRZGIHSEVRW-UHFFFAOYSA-N 360.414 3.940 0 40 FHAB Cc1ccc2cc(Cl)cc(C(=O)N3C[C@H]4CC[C@H]3[C@@H](C(=O)O)C4)c2n1 659218925 GYAOGBLLLWLYKC-PJODQICGSA-N 358.825 3.522 0 40 FHAB Cc1cnc(NC(=O)Cn2c(-c3ccc(Cl)cc3)n[nH]c2=S)s1 10625962 WOCSUWHMLCYPDZ-UHFFFAOYSA-N 365.871 3.665 0 40 FHAB Cc1noc(C)c1C(=O)O[C@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 5196852 TWLRUBYRCCRNEE-GFCCVEGCSA-N 371.418 3.599 0 40 FHAB O[C@H](COc1ccccc1)CSc1nnc(C2CC2)n1-c1ccccc1 7034346 CWTNRRCSQBHCAV-QGZVFWFLSA-N 367.474 3.677 0 40 FHAB CCc1cccc(N2C(=O)N(CC3CC3)c3ccccc3S2(=O)=O)c1 1889095456 HDUHWYWTFAHEGG-UHFFFAOYSA-N 356.447 3.794 0 40 FHAB O=C(C1CC(O)(c2cccc(Cl)c2)C1)N1CCc2cc(F)ccc2C1 1137622525 PUOZDOMWPQWMKV-UHFFFAOYSA-N 359.828 3.662 0 40 FHAB O=C(/C=C/c1ccccc1)NC[C@@](O)(c1ccsc1)c1cccs1 253396117 DCVCCAVUIOPEGE-CSHXORCISA-N 355.484 3.875 0 40 FHAB c1ccc2c(-n3nnnc3SCc3nc4ccccc4[nH]3)cccc2c1 852600 GGLJFZHMGSOQNH-UHFFFAOYSA-N 358.430 3.984 0 40 FHAB CCOc1ccc(-c2cc(=O)oc(-c3ccc(OC)c(OC)c3)n2)cc1 1275496 MBPYCTDQSFJRFS-UHFFFAOYSA-N 353.374 3.785 0 40 FHAB O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)c1ccccc1 4164630 FCEDBADDULEYAM-UHFFFAOYSA-N 364.405 3.905 0 40 FHAB CC[C@@H](C(=O)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1)c1ccccc1 4165459 ZGOJWYREMXTGAU-RTBURBONSA-N 373.449 3.663 0 40 FHAB CC(C)(C)c1csc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)n1 4496166 VCUWTDCPDMSOEU-UHFFFAOYSA-N 372.899 3.506 0 40 FHAB O=C(NCc1ccc(Cl)cc1)N1CC[C@H](c2ccc3c(c2)OCO3)C1 225679930 GXXQVDFFMBLYPK-HNNXBMFYSA-N 358.825 3.768 0 40 FHAB Cc1cc(C)n([C@@H](CNC(=O)c2ccc(N(C)C)cc2)c2cccs2)n1 585367025 FAQSSICUCWXFAW-SFHVURJKSA-N 368.506 3.647 0 40 FHAB CCOc1ccccc1-n1ccnc(NCCc2ccc(Cl)cc2)c1=O 10273218 IXJNEZOQDYQBSS-UHFFFAOYSA-N 369.852 3.939 0 40 FHAB CC[C@H](NCc1cnc(N2CCC[C@@H](C)C2)nc1)c1ccc(OC)cc1 19500524 AJVHYBRQVYBPGB-UZLBHIALSA-N 354.498 3.962 0 40 FHAB CO[C@@H](CNC(=O)c1cc(Br)cs1)c1ccc(C)s1 96385907 HOTMGQLJJLZZIE-JTQLQIEISA-N 360.298 3.998 0 40 FHAB Cc1cc([C@@H](C)NC(=O)[C@@H](C)NC(=O)OCc2ccccc2)c(C)s1 40080906 FCKLRINQIZEZFT-ZIAGYGMSSA-N 360.479 3.857 0 40 FHAB CC(C)c1ccc2[nH]c(=O)c(CCNC(=O)c3ccc(F)cc3)cc2c1 41170985 IRAXNHTZFOVFEI-UHFFFAOYSA-N 352.409 3.763 0 40 FHAB COc1ccc(COC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1F 32869357 NRJSAJRVQIKQDQ-UHFFFAOYSA-N 356.353 3.913 0 40 FHAB COc1cc(OC)c2cc(C(=O)N3c4ccccc4C[C@@H]3C)[nH]c2c1OC 32940377 BGAUCFSOASDCRD-LBPRGKRZSA-N 366.417 3.785 0 40 FHAB CCn1c(SCC(=O)NCC(C)C)nnc1[C@@H]1C[C@H]1c1ccc(C)cc1 2793452 YJAOWMCCPAKIKV-DLBZAZTESA-N 372.538 3.742 0 40 FHAB O=C(CSc1nnc(-c2ccco2)n1C[C@H]1CCCO1)c1ccccc1 1364286 DEIPUPZNHLLSKH-OAHLLOKOSA-N 369.446 3.692 0 40 FHAB Cc1c(Cl)ccc2c1NC(=O)[C@@]2(O)CC(=O)c1ccc(Cl)cc1 1624443 VASQUNWADQAPIT-QGZVFWFLSA-N 350.201 3.715 0 40 FHAB CCc1cc2c(C)cc(C)cc2nc1SCC(=O)Nc1nonc1C 4849466 UFEAZZQJMLOXND-UHFFFAOYSA-N 356.451 3.836 0 40 FHAB O=C1S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1Cc1ccccc1F 1008345 VKUPSCKMUSYFFB-PXNMLYILSA-N 357.362 3.791 0 40 FHAB COc1ccc(-c2cc(CN3CCN(c4ccccc4F)CC3)on2)cc1 12562790 TXCUNLCWOUQBGJ-UHFFFAOYSA-N 367.424 3.812 0 40 FHAB CC(=O)N[C@H](CC(=O)N1CCc2sccc2[C@@H]1C)c1ccc(C)cc1 24277373 ZGJKHULPURDODX-KBXCAEBGSA-N 356.491 3.770 0 40 FHAB Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1S(=O)(=O)N(C)C 8312212 WQMMKTJUXFZPKI-UHFFFAOYSA-N 368.458 3.651 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)NCCSCc1ccc(C)cc1 8498873 UAGYOCXNFRPTIR-MRXNPFEDSA-N 359.491 3.821 0 40 FHAB C[C@H](NC(=O)CSc1nccc(C(F)(F)F)n1)[C@H]1C[C@H]2CC[C@H]1C2 106859399 MKESMYDCRFRKBI-FIQHERPVSA-N 359.417 3.528 0 40 FHAB Cc1cccc(OCCNC(=O)c2cc(C)n(Cc3ccco3)c2C)c1 25458429 VSGPVCGSUAZBDV-UHFFFAOYSA-N 352.434 3.863 0 40 FHAB COc1ccc(/C=C/C(=O)NCCC(=O)Nc2cccc(SC)c2)cc1 9337373 HHJSJVYIUQNDPH-DHZHZOJOSA-N 370.474 3.575 0 40 FHAB O=C(CCNC(=O)Nc1ccccc1)N[C@H]1CCSc2ccccc21 9515139 IDRHVKKZWNTOQT-INIZCTEOSA-N 355.463 3.552 0 40 FHAB C[C@@H](CNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 44014474 WGACNLRCNAKYTQ-INIZCTEOSA-N 351.450 3.848 0 40 FHAB CONC(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21 57140121 GIUGGZJJHYLQOS-UHFFFAOYSA-N 350.205 3.688 0 40 FHAB CCn1c(SCc2cc(=O)n3cc(C)ccc3n2)nc2ccccc21 12533709 JFRWJZPNHFIOJE-UHFFFAOYSA-N 350.447 3.665 0 40 FHAB O=C(COC(=O)c1cccnc1Cl)Nc1c(Cl)cccc1Cl 3231716 BNQSKVNIAYIUNC-UHFFFAOYSA-N 359.596 3.837 0 40 FHAB O[C@@H](COC[C@H]1C[C@@H]2CC[C@@H]1C2)CN1CCC(Cc2ccccc2)CC1 101244451 LEDFADQRHWJSEN-SSGKUCQKSA-N 357.538 3.755 0 40 FHAB O=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc2oc(=O)[nH]c2c1 44755160 XLTKTRAOAIWWMV-UHFFFAOYSA-N 360.369 3.876 0 40 FHAB O=C(NC[C@@H](NC(=O)Nc1ccccc1F)C1CC1)Nc1ccccc1F 58170928 BIXCFMKNYOGAQC-QGZVFWFLSA-N 374.391 3.687 0 40 FHAB O=C1CC2(CCCC2)C(=O)N1CNC1(c2ccc(Cl)cc2)CCCC1 58169035 NIKBWUFOJOIHOS-UHFFFAOYSA-N 360.885 3.976 0 40 FHAB CCOc1cccc([C@H](C)NC(=O)C[C@@H]2Sc3ccccc3NC2=O)c1 58201883 XVNMGLFZHLYHLN-UGSOOPFHSA-N 370.474 3.766 0 40 FHAB Cn1cnnc1Sc1ccc(NC(=O)Cn2ccc3ccccc32)cc1 58218298 AJXGXRGOYPQOCL-UHFFFAOYSA-N 363.446 3.560 0 40 FHAB O=S(=O)(NCCSCc1c(F)cccc1Cl)c1cccs1 2146436 LRBIUKHSAKFEBB-UHFFFAOYSA-N 365.904 3.752 0 40 FHAB CC(=O)Nc1nc2ccc(NC(=O)c3cc(F)cc4[nH]cnc34)cc2s1 58357467 JPNXPKLZARKHGY-UHFFFAOYSA-N 369.381 3.522 0 40 FHAB CC(C)[C@H](NC(=O)COc1ccc2ccc(=O)oc2c1)c1ccc(F)cc1 10608624 NSMXCNYSOSRPKK-NRFANRHFSA-N 369.392 3.824 0 40 FHAB CC(=O)Oc1ccc(C(=O)Nc2nnc(CCc3ccccc3)s2)cc1 59132926 ZNSOCRBHVINXGU-UHFFFAOYSA-N 367.430 3.501 0 40 FHAB Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2c(C)noc2C)c1 12794879 RQFCQNVRCUXSTI-UHFFFAOYSA-N 356.447 3.995 0 40 FHAB Cc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1NS(C)(=O)=O 10314294 CNJUQTZVKUXXFU-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccccc1Cc1ccccc1 3352258 ROFYBSVXAXFVFR-UHFFFAOYSA-N 369.424 3.626 0 40 FHAB COc1cc(C=O)ccc1OCCCCOc1ccc(C=O)cc1OC 2679712 VLIPAUSUVMMHNC-UHFFFAOYSA-N 358.390 3.567 0 40 FHAB O=C(NC1CCC(O)CC1)c1cc(-c2cccs2)nc2ccccc12 2630197 SGCDCVSULGRFOZ-UHFFFAOYSA-N 352.459 3.997 0 40 FHAB O=C(CSc1ccc2ccccc2c1)Nc1ccc(-n2cnnn2)cc1 3334295 TWYYYGTVGZBVDY-UHFFFAOYSA-N 361.430 3.546 0 40 FHAB COc1ccccc1N(C)C(=O)C1CCN(c2ccc(Cl)cn2)CC1 48301854 SIHJFCLMOVHVRU-UHFFFAOYSA-N 359.857 3.623 0 40 FHAB Cc1ccc(C)c(C(=O)CCC(=O)N[C@@H](CN(C)C)c2ccccc2)c1 48309374 FEIPGLZZTAUZTF-FQEVSTJZSA-N 352.478 3.685 0 40 FHAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)NCc1ccccc1F 12801421 VNHDQOFNXRBFBW-UHFFFAOYSA-N 365.408 3.759 0 40 FHAB CC(C)(C)c1ccc(COC(=O)[C@@H]2CCCN(c3ncccn3)C2)cc1 12813635 GNBSMPFTHVTCGJ-QGZVFWFLSA-N 353.466 3.734 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)c2c[nH]c3ccccc23)n1C 3435438 BEDMBPCKCLFVQN-UHFFFAOYSA-N 352.419 3.840 0 40 FHAB COc1ccc(C)cc1-n1nnnc1SCc1nc2ccccc2s1 3491364 GGOXXPDZGAXDBB-UHFFFAOYSA-N 369.475 3.881 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H](NC(=O)Nc1ccccc1)C(C)C 8938654 JLAOILXGSCUTIV-SFHVURJKSA-N 355.438 3.870 0 40 FHAB CCN(C(=O)[C@@H](C)Sc1nncn1-c1ccccc1)c1ccccc1 3556582 CZVHTEQVJCKTCZ-OAHLLOKOSA-N 352.463 3.801 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)COc1ncnc2sc3c(c12)CCC3 3600082 TUIOLAYQLQFQAX-GFCCVEGCSA-N 365.458 3.537 0 40 FHAB COc1cccc(OCCN2CCN(c3nsc4ccccc34)CC2)c1 13691639 LIYKMFPNJYZLDE-UHFFFAOYSA-N 369.490 3.506 0 40 FHAB Cc1nc(-c2ccccc2Cl)sc1C(=O)NCCCn1ccnc1 13689891 JLLCIQLDDLRCCZ-UHFFFAOYSA-N 360.870 3.789 0 40 FHAB CCOc1cc(C(=O)OCC(=O)C(C)(C)C)cc(OCC)c1OCC 6078671 OCYKAFZMUYAYPZ-UHFFFAOYSA-N 352.427 3.655 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)COc1ccccc1Br 6000023 HRPJEJDWJBPSFL-CQSZACIVSA-N 362.267 3.965 0 40 FHAB COc1ccc(-c2nc(CC(=O)NCCc3cccc(F)c3)cs2)cc1 9154952 DVTSIHPPOOEAOD-UHFFFAOYSA-N 370.449 3.859 0 40 FHAB CC1CCN(C(=O)c2ccn(COc3cccc(C(F)(F)F)c3)n2)CC1 27973258 HSOHKWCRJWTATI-UHFFFAOYSA-N 367.371 3.811 0 40 FHAB Cc1cccc(OC(=O)C2CCC(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)CC2)c1 96610745 PVDKDZDRYPQGKP-LRMJVLKBSA-N 369.461 3.634 0 40 FHAB CC(=O)Nc1cccc(NC(=O)CCCOc2ccc(C(C)=O)cc2)c1 6214923 MWVBZUXWLFZJOH-UHFFFAOYSA-N 354.406 3.645 0 40 FHAB COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1ccc(Cl)cc1F 5245362 NKDVSJVJDAGBCH-UHFFFAOYSA-N 372.179 3.937 0 40 FHAB CC(=O)c1ccc(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)s1 14084952 GNDLDJCROCITDG-UHFFFAOYSA-N 365.838 3.695 0 40 FHAB COc1ccc(CNC(=O)CN[C@@H](C)c2ccc3c(c2)CCCC3)cc1 14165317 PWYKZERIFQCJQC-INIZCTEOSA-N 352.478 3.541 0 40 FHAB COc1cccc(CC(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 14240502 OKAGORWPCDROLU-UHFFFAOYSA-N 350.418 3.785 0 40 FHAB COc1ccc(C(C)(C)C)cc1NC(=O)[C@H](NC(=O)c1ccco1)C(C)C 14242005 DVKFGJKNPMYHBL-GOSISDBHSA-N 372.465 3.979 0 40 FHAB CCOC(=O)[C@@H]1C(=O)OC(C)(C)[C@H]1[C@H](CC)C(=O)c1ccc(Cl)cc1 4694373 GYONFYNYMALABL-ZNMIVQPWSA-N 366.841 3.680 0 40 FHAB Cc1ccc(C(=O)[C@H](C)OC(=O)CNc2nc3ccccc3s2)cc1 6654285 NTNJFYOXZMHKKC-ZDUSSCGKSA-N 354.431 3.831 0 40 FHAB Cc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(c2cccc(Cl)c2)C3)cc1 15081252 FOWMFMWTVTXGIS-SFHVURJKSA-N 367.836 3.645 0 40 FHAB Cc1cccnc1-n1c(SCC(=O)C(C)(C)C)nc2ccccc2c1=O 5922158 JPNMXVCBQAJMLO-UHFFFAOYSA-N 367.474 3.796 0 40 FHAB CS(=O)(=O)c1cc(C(=O)Nc2cccc3c2CCCC3)ccc1Cl 15302536 RAFOWCPEUCXXFZ-UHFFFAOYSA-N 363.866 3.875 0 40 FHAB COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2cccc(Cl)c2)CC1=O 9342135 USJCJRSYTLZCIK-ZDUSSCGKSA-N 358.825 3.649 0 40 FHAB CCn1c(SCc2cc(=O)oc3cc(OC)ccc23)nnc1C1CC1 7618335 OQSMVJLQBVAHLC-UHFFFAOYSA-N 357.435 3.583 0 40 FHAB Cc1ccc(OCC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c(C)c1 8160372 DPHXOPCOAWXFCO-IBGZPJMESA-N 355.434 3.879 0 40 FHAB Cc1cc(C)c2c(-c3ccccc3)nc(S[C@@H]3C[C@@H](C)OC3=O)n2n1 9512651 ZQOWLVOTJICRJU-UKRRQHHQSA-N 353.447 3.809 0 40 FHAB COc1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 8267735 SWDWNYCMCQYGRQ-UHFFFAOYSA-N 370.493 3.747 0 40 FHAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cc3c(s2)CCC3)c1 83895713 WBOKZCNDZSWSGU-UHFFFAOYSA-N 370.474 3.876 0 40 FHAB CCc1noc([C@@H](C)Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)n1 83830490 ZNISUNKAHSJTOS-MRVPVSSYSA-N 365.846 3.932 0 40 FHAB C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(N(C)C)cc1 8707861 DYAPGRPPMBOKFU-CYBMUJFWSA-N 367.478 3.657 0 40 FHAB CCc1c(C(=O)N[C@H](C)c2ccc(Cl)cc2)cnn1-c1ccccn1 8715262 PQQDFMAAAVTFEQ-CYBMUJFWSA-N 354.841 3.974 0 40 FHAB CC(=O)Nc1cc(C(=O)O[C@@H](C(=O)N2CCCC[C@@H]2C)C(C)C)ccc1C 95369336 ZAZPKFDCGAVQCN-HNAYVOBHSA-N 374.481 3.536 0 40 FHAB O=C(CCc1ncc(-c2ccccc2Cl)o1)N[C@@H](CO)c1ccccc1 95456346 WQKUQYORDFLRRI-KRWDZBQOSA-N 370.836 3.777 0 40 FHAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)OC[C@@H]3CCCCO3)c2C)cc1 95947602 XEWKCYKSADDRSW-SGWGQVFISA-N 368.477 3.982 0 40 FHAB c1ccc(N2CCN(c3nnc(SCc4cccnc4)s3)CC2)cc1 23140076 NLOZLLNDMLRGFN-UHFFFAOYSA-N 369.519 3.552 0 40 FHAB Cc1ccc([C@H](CNC(=O)COc2cccc(C)c2)N2CCCC2)cc1 27794441 AJKBFQVPMLXCAV-NRFANRHFSA-N 352.478 3.636 0 40 FHAB Cc1nc2ccc(NC(=O)c3cccc(C(=O)Nc4ccccc4)c3)cn2n1 1524001271 CZEDLDFXGOFFEE-UHFFFAOYSA-N 371.400 3.542 0 40 FHAB O=C(NCCSCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 32341453 FWVWQDLCCYUETK-UHFFFAOYSA-N 363.866 3.774 0 40 FHAB O=C(Nc1ccccc1)NC1(C(=O)NCc2ccccc2)CCCCC1 35290990 DJNSLPAIHRSPAX-UHFFFAOYSA-N 351.450 3.827 0 40 FHAB Cc1ccc(C)c(CC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1 219277707 ZUAIEUVRFTZTCS-UHFFFAOYSA-N 355.825 3.866 0 40 FHAB O=C(CCn1ccc2c(Cl)cccc21)N1CC[C@@]2(O)CCCC[C@H]2C1 79494281 XVODSGUWVYKNCC-YWZLYKJASA-N 360.885 3.838 0 40 FHAB COc1cccc2c(SCC(=O)Nc3ccc4c(c3)OCO4)nccc12 36708183 FGWGVDKPINZNGZ-UHFFFAOYSA-N 368.414 3.703 0 40 FHAB CSc1cccc(NC(=O)COc2ccc(Cl)cc2-n2cnnc2)c1 32646775 UCXQCANZLPFTGG-UHFFFAOYSA-N 374.853 3.660 0 40 FHAB COc1ccccc1CCCNC(=O)C1CCN(c2ccc(C)cc2)CC1 219860990 QNVLLZUPAQYGAL-UHFFFAOYSA-N 366.505 3.969 0 40 FHAB CCCc1nc2cc(C(=O)OC)ccc2n1-c1ccc2c(c1)OCCO2 72233800 AIFWLSOUWJAUME-UHFFFAOYSA-N 352.390 3.536 0 40 FHAB COc1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1C 223426358 PXXDGONBDYJJRC-UHFFFAOYSA-N 357.797 3.637 0 40 FHAB Cc1csc2nc(COc3cccc(NC(=O)C(C)(C)C)c3)cc(=O)n12 41085716 QIEWZJJKGWATSK-UHFFFAOYSA-N 371.462 3.628 0 40 FHAB COc1ccc(OCCCC(=O)NCCOc2cccc(C)c2C)cc1 223932005 CEPBJWMNSOGXAZ-UHFFFAOYSA-N 357.450 3.666 0 40 FHAB CCc1nc(-c2ccc(C(=O)N[C@H]3C[C@H](c4ccccc4F)C3)cc2)n[nH]1 577091561 PNEBJYCSDFWHBI-WKILWMFISA-N 364.424 3.849 0 40 FHAB Cc1cccc(CO[C@H]2CO[C@@]3(CCCN(Cc4ccsc4)C3)C2)n1 96206194 PGMUGGAVPSULSV-UXHICEINSA-N 358.507 3.792 0 40 FHAB CCc1csc(-n2cc(C(=O)N3CCc4c(Cl)cccc4C3)cn2)n1 534215405 OYNYDVNUULEEPP-UHFFFAOYSA-N 372.881 3.743 0 40 FHAB Cc1c[nH]nc1[C@H]1CCN(Cc2ccc(-c3ccccc3C(=O)O)o2)C1 257250531 JMXIRFYCXLJFJF-AWEZNQCLSA-N 351.406 3.666 0 40 FHAB CC[C@@H]1C[C@@H](NC(=O)N2CCC3(C=Cc4ccccc4O3)CC2)CCO1 665171334 XFGIOHDTQISNEM-ZWKOTPCHSA-N 356.466 3.594 0 40 FHAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(C(=O)c4cncs4)[C@@H]3C[C@H]21 585261636 LKEWREVYSGBESN-SZXPJGKVSA-N 370.474 3.675 0 40 FHAB O=C(Nc1cc(Cl)ccc1F)[C@H]1CC(=O)N(CCc2ccccc2)C1 36832518 ANJAAXKVVHXRJD-AWEZNQCLSA-N 360.816 3.509 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc(N(C)C)cc1 72689903 SCKANNVDXUOMFU-UHFFFAOYSA-N 352.413 3.947 0 40 FHAB CC(C)N1CCC(O)(CN[C@H](C)c2ccc(SC(F)F)cc2)CC1 97228525 UIVKJFCRHWEHIB-CQSZACIVSA-N 358.498 3.887 0 40 FHAB Cc1sc2nc([C@@H](C)OC(=O)c3cccc(N(C)C)c3)[nH]c(=O)c2c1C 5356001 ILQFIKZAZSUTNE-LLVKDONJSA-N 371.462 3.585 0 40 FHAB CCCCCOc1cccc(OCC(=O)N=c2[nH]c3ccccc3[nH]2)c1 5826098 YGXMBYRCIGABQC-UHFFFAOYSA-N 353.422 3.571 0 40 FHAB O=c1c2c3c(sc2ncn1Cc1coc(-c2cccs2)n1)CCC3 11364345 BFDFGUYTPWCTKT-UHFFFAOYSA-N 355.444 3.712 0 40 FHAB CC[C@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1ccccc1)S(C)(=O)=O 13711432 QQYFBEHLVUKHIM-GOSISDBHSA-N 374.506 3.795 0 40 FHAB O=C(Nc1ccc(F)cc1F)c1ccc(=O)n(Cc2ccccc2F)c1 15883176 HKBIAYHCBIGVBZ-UHFFFAOYSA-N 358.319 3.566 0 40 FHAB Cc1ccnn1C[C@@H](C)C(=O)NC[C@H](c1cccs1)N1CCCCCC1 19238338 MEZQQAFZRJMDBK-SJLPKXTDSA-N 374.554 3.623 0 40 FHAB CCN[C@@H]1CN(C(=O)c2cc3cc(OC)ccc3n2C)C2(CCCCC2)C1 19703922 UGXNDAMZVJZEAD-KRWDZBQOSA-N 369.509 3.714 0 40 FHAB CC(C)CNC(=O)CN1C(=O)S/C(=C\c2ccc(C(C)C)cc2)C1=O 6326259 DKSSGNMEBPRONK-SXGWCWSVSA-N 360.479 3.619 0 40 FHAB O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1ccc(-n2cccn2)cc1 11181925 SMAKFGWBRZJHNK-UHFFFAOYSA-N 372.384 3.970 0 40 FHAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 1102363 DAVYIBBDROGUJF-INIZCTEOSA-N 352.434 3.774 0 40 FHAB CCOc1ccc(N2C[C@](O)(c3ccccc3)[N+]3=C2CCCCC3)cc1 2974601 WWSIZDRAMBUFEP-QFIPXVFZSA-N 351.470 3.736 0 40 FHAB CCOC(=O)c1c(SCc2ccc(Cl)cc2Cl)nc(=O)[nH]c1C 5251692 XBJUINKYKXGZEF-UHFFFAOYSA-N 373.261 3.854 0 40 FHAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@@]2(C)CC2(Cl)Cl)c1 40122235 LQMHECQUDBFTJX-MEDUHNTESA-N 357.281 3.871 0 40 FHAB Cc1ccc([C@@H]2C=C(c3ccc(Br)cc3)Nc3nnnn32)cc1 101042202 AHMNUYLUXAASRI-INIZCTEOSA-N 368.238 3.800 0 40 FHAB C[C@H](NC(=O)NOCc1ccccc1)c1ccc(NC(=O)C2CC2)cc1 32795285 NTUCLBCQZLYKMV-AWEZNQCLSA-N 353.422 3.527 0 40 FHAB CC(C)(C)n1nc(C(=O)Oc2ccc(N3CCOC3=O)cc2)cc1C1CC1 52340102 BJCWVABXDPEWTD-UHFFFAOYSA-N 369.421 3.691 0 40 FHAB C[C@@H]1CCc2c(sc3nnn(Cc4c(F)cccc4Cl)c(=O)c23)C1 807701 YWVLAQHEGIKAFI-SECBINFHSA-N 363.845 3.819 0 40 FHAB O=C(CS(=O)(=O)Cc1ccccc1Cl)Nc1ccccc1Cl 1402815 UXAIABBRMOULFM-UHFFFAOYSA-N 358.246 3.547 0 40 FHAB CC(C)CC[C@@H](C(=O)O)[C@H](C)CC(=O)Nc1ccn(-c2ccccc2)n1 2062088 VHLWRSHMNSBDCC-NVXWUHKLSA-N 357.454 3.974 0 40 FHAB CCCc1nc2oc3c(NCCOC)ncnc3c2c2c1COC(C)(C)C2 2437875 OYQTYOMQGASVCD-UHFFFAOYSA-N 370.453 3.633 0 40 FHAB COc1ccccc1CC(=O)c1ccc(I)cc1 2579773 BVOHZYXPIAVNSQ-UHFFFAOYSA-N 352.171 3.725 0 40 FHAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)Cc1ccccc1F 2662356 RXUCXVKVUOHURZ-UHFFFAOYSA-N 373.424 3.856 0 40 FHAB CCO[P@](=O)(c1ccccc1)[C@@H](NC(=O)OC)C(Cl)(Cl)Cl 2675067 XKCBRBXUYHBZIW-LADRHHBVSA-N 374.588 3.679 0 40 FHAB CCSc1nnc(CSc2ncccn2)n1CCc1ccccc1 2706040 YMEKDPIQPQUIDU-UHFFFAOYSA-N 357.508 3.715 0 40 FHAB Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccccc1Br 2762687 XVTFKXPUKMHQRM-UHFFFAOYSA-N 362.149 3.612 0 40 FHAB Cc1cccc(NC(=O)c2ccn(COc3ccc(Cl)c(C)c3)n2)n1 2795686 JSGSUDASFXCPPV-UHFFFAOYSA-N 356.813 3.837 0 40 FHAB O=C(O)c1cc(/N=C/c2cc(Br)cc(Cl)c2O)ccc1O 3116234 FBKXLUQWMQEIOV-UBKPWBPPSA-N 370.586 3.963 0 40 FHAB COC(=O)c1cc(COC(=O)/C=C/c2nc3ccccc3s2)oc1C 3396015 YNZAMXWYVGPDDG-BQYQJAHWSA-N 357.387 3.741 0 40 FHAB CCOC(=O)N1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)ccc1OC 4074039 AIWZZJMVRYIGMV-QRFRQXIXSA-N 363.454 3.528 0 40 FHAB biogenic Cc1ccccc1CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O 4308628 KQVPWULALUEHGG-IBGZPJMESA-N 360.360 3.564 0 40 FHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3C)C2=O)cc1 4470622 XXRZSNPRBOMSLG-GZTJUZNOSA-N 366.442 3.978 0 40 FHAB COc1ccc(C)cc1-n1nnc(C(=O)Nc2ccc(C)cc2C)c1C 4483230 IWSDIVXDQXOXCU-UHFFFAOYSA-N 350.422 3.762 0 40 FHAB COc1ccc(/C=C2/N=C(S)N(C)C2=O)cc1COc1ccc(F)cc1 4671006 DLDNJNDRMJYYPN-MHWRWJLKSA-N 372.421 3.512 0 40 FHAB COc1ccc(C)cc1-n1nnnc1SCC(=O)c1ccc(C)cc1C 4997764 OFCXOTOYSGGVIH-UHFFFAOYSA-N 368.462 3.571 0 40 FHAB O=C(Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)C(F)(F)F 5259463 STUIMBTYBVBPCE-UHFFFAOYSA-N 350.344 3.635 0 40 FHAB COc1cc(C(=O)O[C@H](C)C(=O)c2ccc(F)cc2)cc(Cl)c1OC 5429850 ORIQFGDXQXCXCP-SNVBAGLBSA-N 366.772 3.925 0 40 FHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc(F)c(Cl)c1 6590892 FXQORHAOXACHGT-LLVKDONJSA-N 362.788 3.622 0 40 FHAB O=C(COc1ccccc1F)N1CCC(c2nc3ccccc3o2)CC1 7167616 SDKIPIRITVLBQM-UHFFFAOYSA-N 354.381 3.752 0 40 FHAB CCc1ccccc1NC(=O)c1c[nH]c2c(c(C)nn2-c2ccccc2)c1=O 7424017 PRESNYOHINBUEX-UHFFFAOYSA-N 372.428 3.837 0 40 FHAB COc1ccccc1NC(=O)COC(=O)c1cc(F)c(Cl)cc1Cl 7550556 FPNQORXNFNNIBY-UHFFFAOYSA-N 372.179 3.937 0 40 FHAB Cc1cccc(NC(=O)CSCC(=O)Nc2ccc3c(c2)CCC3)c1 7801997 IFPSMXSZBCMUKE-UHFFFAOYSA-N 354.475 3.794 0 40 FHAB C[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1F 8095087 KDUQLAFXQGIRSB-CYBMUJFWSA-N 358.388 3.512 0 40 FHAB Cc1ccc(C2=N/C(=C\c3ccc(N4CCOCC4)s3)C(=O)O2)cc1C 8180071 KYLISBWTORGDEK-ATVHPVEESA-N 368.458 3.546 0 40 FHAB C[C@@H](NC(=O)CNC(=O)c1cccc(Cl)c1)c1cc2ccccc2o1 8238251 GNDUUJYMICGZPV-GFCCVEGCSA-N 356.809 3.693 0 40 FHAB C/C=C/C=C/C(=O)OCC(=O)Nc1ccc(Br)cc1CC 8433671 HGUYBXJDYBDSNC-TWTPFVCWSA-N 352.228 3.626 0 40 FHAB C[C@@H](NC(=O)c1[nH]nc2ccccc12)c1nc2ccccc2n1C(F)F 8709102 JUKBZHPWQKUCDO-SNVBAGLBSA-N 355.348 3.799 0 40 FHAB COc1ccc(Cl)cc1-n1c(S)nnc1-c1ccc2c(c1)OCO2 9061266 VKENJKLHHCKKBH-UHFFFAOYSA-N 361.810 3.614 0 40 FHAB CCN(C(=O)[C@@H](C)Sc1nc(N)c2ccsc2n1)c1ccccc1 9112902 BTJHBBYGJWZTQF-LLVKDONJSA-N 358.492 3.807 0 40 FHAB CC[C@H]1CCCCN1C(=O)[C@@H](C)N(C)CC(=O)Nc1c(C)cc(C)cc1C 9951082 CSIPSIRASRKUSE-MOPGFXCFSA-N 373.541 3.662 0 40 FHAB C[C@H]1Sc2ccc(C(=O)N3CCC[C@H](C(F)(F)F)C3)cc2NC1=O 10285365 ZJGHKGSBRBJXQP-KOLCDFICSA-N 358.385 3.534 0 40 FHAB O=C(Cc1cc(-c2ccc(F)cc2)on1)NCCc1c[nH]c2ccccc12 11693169 HAKSAORXMZLVJC-UHFFFAOYSA-N 363.392 3.863 0 40 FHAB Cc1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1C 11916847 CZCDMVOQIKTAHM-UHFFFAOYSA-N 350.374 3.982 0 40 FHAB COc1ccc(-c2nsc(NC(=O)[C@H](C)Oc3ccccc3F)n2)cc1 12111388 KKFBEBPLCXZFNO-NSHDSACASA-N 373.409 3.759 0 40 FHAB Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CN[C@@H](C)c3cccs3)cc12 12186435 SMFUTYDVCQQXJQ-AWEZNQCLSA-N 364.474 3.935 0 40 FHAB COC(=O)C1(C[C@H]2CC(c3ccc(C(F)(F)F)cc3)=NO2)CCOCC1 12226287 NLBCWLVYMOWYIJ-CQSZACIVSA-N 371.355 3.558 0 40 FHAB CCN(CC)[C@H](CNC(=O)c1cccnc1S)c1ccccc1Cl 12748291 JUHMRDJUEDDYJT-MRXNPFEDSA-N 363.914 3.837 0 40 FHAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)[C@@H]1CCCO1 12781183 IUXBQWLHKACACK-FQEVSTJZSA-N 361.445 3.677 0 40 FHAB Cc1ccc(C)c(-c2csc(NC(=O)CCN3CCSC3=O)n2)c1 12804271 SIGUPELFTHENHO-UHFFFAOYSA-N 361.492 3.924 0 40 FHAB Cc1csc(NC(=O)CCc2c(C)nc3c(cnn3C(C)C)c2C)n1 12976346 NLBDKRCKWAKXQE-UHFFFAOYSA-N 357.483 3.965 0 40 FHAB CC(C)c1ccc([C@@H](C)NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1 13012035 SNDJEMLWRJMTIQ-CYBMUJFWSA-N 350.418 3.527 0 40 FHAB Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1C 13042073 RYOWKDDNVLAQGI-UHFFFAOYSA-N 374.868 3.811 0 40 FHAB COc1ccc([C@]2(O)C[N+]3=C(CCCCC3)N2c2ccc(C)cc2)cc1 13510680 NADKBPBMWVHOHG-JOCHJYFZSA-N 351.470 3.654 0 40 FHAB COc1ccc(CC(=O)NCc2ccc(C(F)(F)F)cc2)c(OC)c1 14086186 WJIKPGMLGUPDQT-UHFFFAOYSA-N 353.340 3.582 0 40 FHAB Cc1sc2ncnc(N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)c2c1C 14118059 AXSQYXRGAUKYLT-NSHDSACASA-N 361.492 3.885 0 40 FHAB COc1cc2ccccc2cc1C(=O)NC(=S)NCc1ccccc1 14257720 JACPRTLLEIGGLV-UHFFFAOYSA-N 350.443 3.653 0 40 FHAB CSc1nc(C)c(CCC(=O)Nc2cccc(Cl)c2Cl)c(=O)[nH]1 14263364 WKWSWOSHFBKJFU-UHFFFAOYSA-N 372.277 3.678 0 40 FHAB CC(C)C(=O)Nc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 16122071 CWMKTOROJIIYJG-UHFFFAOYSA-N 352.843 3.735 0 40 FHAB O=C1C[C@@H](c2ccccc2Cl)c2c(nc(-c3ccccc3)[nH]c2=O)N1 17045719 FOVNHZIDQBAYSR-ZDUSSCGKSA-N 351.793 3.564 0 40 FHAB O=C(c1cccc(F)c1)N1CCc2onc(Nc3cccc(F)c3)c2C1 19293590 XHQYCNBVVLKPHF-UHFFFAOYSA-N 355.344 3.895 0 40 FHAB CCc1nccn1CCC(=O)Nc1nc(-c2ccccc2OC)cs1 19523661 BFWAHLBQNNYBDT-UHFFFAOYSA-N 356.451 3.606 0 40 FHAB CCN(C(C)=O)[C@@H]1CN(C(=O)c2sc(C)nc2C)C2(CCCCC2)C1 19704016 GXGIVJGQOHXFBE-INIZCTEOSA-N 363.527 3.546 0 40 FHAB Cc1ccc(C)c([C@H]2CCCN2Cc2cnc(N3CCOCC3)s2)c1 19715692 MPJDCGZFGLEPII-LJQANCHMSA-N 357.523 3.934 0 40 FHAB Cc1n[nH]c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C1=C(COC1=O)N2 20086396 ZGXBBBKXUVFCNN-LJQANCHMSA-N 373.412 3.665 0 40 FHAB Cc1nccn1-c1ccccc1CNC(=O)[C@H](C)Sc1ccccc1 20104144 BMDMYQKMOBQHSO-HNNXBMFYSA-N 351.475 3.978 0 40 FHAB COc1ccc(OC)c(Nc2ncnc3c2cnn3-c2ccc(F)cc2)c1 20661918 ACSLSXCTKXUJNR-UHFFFAOYSA-N 365.368 3.715 0 40 FHAB COc1ccc(C2=NC3(CCCCC3)N(C(=O)c3ccccc3)C2=O)cc1 21147553 LAHJPTBPVGWNIV-UHFFFAOYSA-N 362.429 3.827 0 40 FHAB CN(Cc1ccsc1)C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 22885019 WQSNMWHDDFWOAT-UHFFFAOYSA-N 372.877 3.884 0 40 FHAB CC(C)c1n[nH]c(SCc2nnc(-c3ccc(Br)o3)o2)n1 23818779 WKFVWEKMXBWLHS-UHFFFAOYSA-N 370.232 3.626 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1C 23917701 RNWXPCNNZLXNLH-LJQANCHMSA-N 370.449 3.732 0 40 FHAB COC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)nc1 24576251 ZLKXBEGIPRSJBC-UHFFFAOYSA-N 353.403 3.552 0 40 FHAB Cc1cc(CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)no1 25136990 LPEXBVTUCSGRJZ-UHFFFAOYSA-N 373.416 3.503 0 40 FHAB C[C@@H](NC(=O)CSc1ncnc2ccsc12)c1ccc(F)cc1F 26960261 WFUBWWLBHKUJKX-SECBINFHSA-N 365.430 3.939 0 40 FHAB C[C@H](C(=O)Nc1ccc(Br)cc1)n1cc(Br)cn1 28304398 RGWDCUWCKQOKHA-MRVPVSSYSA-N 373.048 3.608 0 40 FHAB COCCCNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 29540830 DJZRHHGGCAGQIU-UHFFFAOYSA-N 354.381 3.914 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)OCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 29557309 JKROWLKOGOVVST-VEVIJQCQSA-N 372.440 3.780 0 40 FHAB CC[C@@H](CNC(=O)Cc1c[nH]c2ccccc12)N1CCc2ccccc2C1 29909069 SZGZAAKRJRXDIO-FQEVSTJZSA-N 361.489 3.664 0 40 FHAB COc1ccc(S[C@H](C)C(=O)NCCCc2ccccc2OC)cc1 30861253 LPGJAENTUVFKEQ-OAHLLOKOSA-N 359.491 3.933 0 40 FHAB CCOC(=O)c1ccc(Nc2ncnc3c2ncn3Cc2ccccc2)cc1 32089998 HRFLXZGAULYGPI-UHFFFAOYSA-N 373.416 3.795 0 40 FHAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCC4CC4)cc3)n2)cc1 32579063 BHIGLIVWISHYFR-UHFFFAOYSA-N 363.417 3.617 0 40 FHAB O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc(F)c(F)c1 32817122 ZPPNLZWYXYNWIO-UHFFFAOYSA-N 365.401 3.933 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(F)cc2)cc1 35289403 FLCLCQNFCPRISN-SFHVURJKSA-N 369.396 3.663 0 40 FHAB C[C@@H]1Nc2ncnn2[C@@H](c2cccs2)[C@H]1C(=O)Nc1ccc(Cl)cc1 36701731 JHIMLQOTZNDHAE-LKTVYLICSA-N 373.869 3.651 0 40 FHAB CCC[C@@H](C)NC(=O)COC(=O)c1cccnc1Sc1ccccc1 36818015 ZOWHWLASCMMNMC-CQSZACIVSA-N 358.463 3.694 0 40 FHAB CN(C(=O)c1cccc(CN2CCCC2=O)c1)[C@H]1CCCc2ccccc21 39994113 PIRQZEPAINFVQQ-NRFANRHFSA-N 362.473 3.959 0 40 FHAB CCc1nn2c(=O)cc(CNc3ccc4c5c(cccc35)CC4)nc2s1 40018044 UYRKVMJGQOJHOV-UHFFFAOYSA-N 362.458 3.577 0 40 FHAB O=C(c1ccc(Cl)cc1F)N1CCC[C@H]1c1nnc2n1CCCCC2 40080269 SFZKZFNQVGUXJZ-HNNXBMFYSA-N 362.836 3.774 0 40 FHAB O=C(O)c1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cc(F)ccc2F)cc1 40284080 WFPUYZDCTCYPOB-ZDUSSCGKSA-N 369.327 3.972 0 40 FHAB COc1ccccc1CNC(=O)Cn1ccc2cc(Br)ccc21 41128017 HHVDHKGLGYXYCD-UHFFFAOYSA-N 373.250 3.729 0 40 FHAB CCOc1ccccc1CNC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 44920013 ABUFBAMEIKWFJX-LJQANCHMSA-N 370.468 3.753 0 40 FHAB CN(C)CCOc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 46721929 DAUFRCLYXJWBMP-UHFFFAOYSA-N 351.450 3.680 0 40 FHAB O=C(Nc1cccc(OCc2ccccn2)c1)c1cc(-c2cccnc2)on1 48366967 CIZBXRRQIXVWSX-UHFFFAOYSA-N 372.384 3.963 0 40 FHAB O=C(NCc1cccc(N2CCOC2=O)c1)c1cc2c(s1)CCCCC2 56963358 GXDJLBDLNQTFQX-UHFFFAOYSA-N 370.474 3.904 0 40 FHAB COC(=O)CCCCCCNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 57752861 FTJLPQANCVGJJW-OLZOCXBDSA-N 352.397 3.530 0 40 FHAB Cc1nnc(SCc2noc(-c3ccccc3O)n2)n1-c1ccccc1 58208911 XCPBMNLVRNGPKM-UHFFFAOYSA-N 365.418 3.624 0 40 FHAB C[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1 59477993 YOGLDSQRRRSAPG-ZBFHGGJFSA-N 356.853 3.613 0 40 FHAB COc1ccc(-c2cc(C(=O)NCCCC(=O)O)c3ccccc3n2)cc1 71284087 HTAXFXGHFUTIFT-UHFFFAOYSA-N 364.401 3.505 0 40 FHAB CN(Cc1ccccc1)[C@@H]1CCCN(CC(=O)Nc2ccc(F)cc2)CC1 89361354 ICXDSFKFHYLEEB-OAQYLSRUSA-N 369.484 3.751 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)cc1 91690218 UVOWPAMXKSHZQY-GOSISDBHSA-N 352.434 3.982 0 40 FHAB CCN(CC1=Cc2ccccc2OC1)Cc1ccc(C(=O)N(C)C)cc1 93083911 NULZKFYGYWVQLA-UHFFFAOYSA-N 350.462 3.686 0 40 FHAB Cc1ccc(CN2CCC3(CC2)C[C@H](N(C)Cc2ccco2)CO3)s1 96048008 VOCQLLFZGXDCIL-KRWDZBQOSA-N 360.523 3.905 0 40 FHAB O=C(C1CCCC1)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cc2)C1 96113176 QDAJHBFQGZUIRO-MRXNPFEDSA-N 357.372 3.502 0 40 FHAB biogenic,in-vitro Cc1ccsc1C(=O)N1CC[C@@]2(CCCN(Cc3c(C)noc3C)C2)C1 96216028 UTVHOZLPKPQWOA-HXUWFJFHSA-N 373.522 3.790 0 40 FHAB CC(=O)Nc1cccc(C2=C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2)c1 100834955 NDOQKELQBHGDRW-SFHVURJKSA-N 365.824 3.946 0 40 FHAB CC/C(NCCC1=CCCCC1)=C1\C(=O)NC(=O)N(C2CCCCC2)C1=O 101361650 BOMWZVYCLBOQNP-ZCXUNETKSA-N 373.497 3.542 0 40 FHAB COc1ccc(-c2csc(C3=C(O)CN(C[C@H]4CCCO4)C3=N)n2)cc1 102722791 WERUGOXAQOFJSP-CQSZACIVSA-N 371.462 3.560 0 40 FHAB COc1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 115081367 JXIUBNULTPEUQQ-MRXNPFEDSA-N 361.397 3.807 0 40 FHAB O=C(NCC[C@H](CCO)c1ccccc1)c1ccccc1Br 206626217 JKHSLCREJAUPMU-OAHLLOKOSA-N 362.267 3.735 0 40 FHAB Cc1noc(C)c1CC(=O)NC[C@](C)(O)c1ccc(-c2ccccc2)cc1 206702374 TUZDWYITMKNGRA-QFIPXVFZSA-N 364.445 3.525 0 40 FHAB O=C(c1ccco1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1 217366323 KKHVREFIOVUHDR-UHFFFAOYSA-N 372.440 3.567 0 40 FHAB CC(C)c1ccccc1O[C@H](C)C(=O)NCc1nc(-c2ccccc2)no1 219299984 FZOCXSFOXZVOEL-OAHLLOKOSA-N 365.433 3.944 0 40 FHAB COC(=O)c1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2C)cc1 222583795 XZOZUKRWWRJLBL-UHFFFAOYSA-N 365.364 3.630 0 40 FHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1F 223743248 AFLJZQFAKPXPKB-UHFFFAOYSA-N 365.470 3.953 0 40 FHAB CC[C@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)c(C)c1 224203649 RKFHMAOHJHAVCB-INIZCTEOSA-N 374.506 3.657 0 40 FHAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)[nH]1 224621735 VGZVVPHWGXIBDJ-ROUUACIJSA-N 350.447 3.601 0 40 FHAB COc1cccc(OCCNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 225152803 INLBDLGNPPAZMJ-MRXNPFEDSA-N 369.461 3.537 0 40 FHAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 225210452 VVGSSUMMJOOLEO-SFHVURJKSA-N 374.484 3.936 0 40 FHAB COC(=O)c1cccc(NC(=S)N[C@H](C)COc2ccc(C)c(C)c2)c1 225790915 OMZAJEGTPAWLNR-OAHLLOKOSA-N 372.490 3.844 0 40 FHAB COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)cc1OC 257233620 GPZYRCTUCUBUQQ-ZJIUEPEZSA-N 373.493 3.722 0 40 FHAB CC(C)(C)C(=O)N1CC[C@@H](Cc2ccc(-c3cccc(C(=O)O)c3)nc2)C1 257312008 ULZWFEKTTRWWLP-INIZCTEOSA-N 366.461 3.884 0 40 FHAB COc1ccc(NC(=S)NCCCN2CCC[C@H](C)C2)cc1Cl 260739759 OSYKRLXWTWRYEG-ZDUSSCGKSA-N 355.935 3.757 0 40 FHAB c1csc(CN2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)c1 306124395 BOMFDQSWGCVNIX-MRXNPFEDSA-N 367.522 3.771 0 40 FHAB O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2CN(Cc3ccsc3)C[C@@H]21 306138791 SHSLKPLPLQUPTJ-APWZRJJASA-N 371.483 3.763 0 40 FHAB CN1CC[C@H](NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)[C@H]2CCC[C@H]21 560525857 BNAJITNXQIATAF-CWHNDFMSSA-N 353.554 3.644 0 40 FHAB O=C(c1cc2ccccc2o1)N1CC(Oc2cccc(C(F)(F)F)n2)C1 575606538 HRPMBQGLHPASCY-UHFFFAOYSA-N 362.307 3.750 0 40 FHAB CC(=O)N1c2ccccc2C[C@H]1c1nc(-c2cccnc2OC(C)C)no1 585081723 NKKZYUZLZZKOFF-KRWDZBQOSA-N 364.405 3.569 0 40 FHAB c1coc(CN2CCC3(CC2)OCC[C@H]3CCOCc2ccncc2)c1 585105547 ZJXQDHFDFMUALZ-LJQANCHMSA-N 356.466 3.653 0 40 FHAB CC(C)(NCc1nnc([C@H]2CCCOC2)o1)c1cccc(Cl)c1F 644265482 CVQPABMTDCFGJK-NSHDSACASA-N 353.825 3.781 0 40 FHAB COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1occ2c1CCC2 671676825 VIDNHTDQGIEAOQ-KRWDZBQOSA-N 355.434 3.598 0 40 FHAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cc(Cl)sc1Cl 678368630 UWJKPQHTACEWTG-VIFPVBQESA-N 374.297 3.543 0 40 FHAB CCS(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)c1 1322321939 AYCVPSYTZIMUQJ-CZUORRHYSA-N 352.500 3.817 0 40 FHAB O=C(CCc1ccccc1)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037909175 ZVXXNQDFSAAOMZ-QFIPXVFZSA-N 371.452 3.581 0 40 FHAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3O)o2)c1 855501 FUBPQJPUBNCQDP-UHFFFAOYSA-N 355.419 3.790 0 40 FHAB CSc1ccccc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2 869823 UBHFBJWXMNDWEE-UHFFFAOYSA-N 355.385 3.751 0 40 FHAB CCc1cc2c(=O)n(CC(=O)Nc3cccc(Cl)c3C)cnc2s1 958874 IYMOOGIXKLZBRJ-UHFFFAOYSA-N 361.854 3.621 0 40 FHAB CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2cccs2)NC(=S)N1 1252701 LRQARDBRBYBTLE-MRXNPFEDSA-N 357.504 3.796 0 40 FHAB COc1ccc(-c2ccc(SCC(=O)N(C(C)C)C(C)C)nn2)cc1 1332440 CZFOKZIZBCJCIB-UHFFFAOYSA-N 359.495 3.890 0 40 FHAB CC(=O)N(Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 1366584 PHVWMOPZFFQPAJ-UHFFFAOYSA-N 352.409 3.833 0 40 FHAB Cc1ccc2nc3c(cc(C(=O)Nc4ccc(C(C)C)cc4)n3C)c(=O)n2c1 2364193 LLLMFFFAWONBAM-UHFFFAOYSA-N 374.444 3.870 0 40 FHAB CC(C)(S)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2583253 CMNKJRDKAIALPY-QGZVFWFLSA-N 371.458 3.687 0 40 FHAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1ccc2c(c1)OCO2 2762606 HECLYGSMBBNNSP-UHFFFAOYSA-N 367.380 3.668 0 40 FHAB C[C@H](c1nc2c3ccccc3ncn2n1)n1nc(C(F)(F)F)cc1C1CC1 2806508 MJYYIWAVFGGBEW-SNVBAGLBSA-N 372.354 3.980 0 40 FHAB CCOP(=O)(OCC)[C@@H](NC(=O)c1ccc(F)cc1)C(F)(F)F 3230970 RKSQMHUYVSBYEH-GFCCVEGCSA-N 357.240 3.710 0 40 FHAB CCOc1ncccc1C(=O)OCC(=O)Nc1c(Cl)cccc1Cl 3241972 BLTVXXVWBFGUGB-UHFFFAOYSA-N 369.204 3.583 0 40 FHAB O=C(COC(=O)Cc1ccc(Cl)c(Cl)c1)NCc1ccc(F)cc1 3370186 AZQARLMNIZBVKR-UHFFFAOYSA-N 370.207 3.535 0 40 FHAB C[C@@H](OC(=O)c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(Cl)cn1 3382161 QKKDWRGKDUZYIJ-SECBINFHSA-N 370.739 3.520 0 40 FHAB Cc1cc(NC(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)no1 3384928 GMAKMIHWOQHJIK-UHFFFAOYSA-N 352.346 3.571 0 40 FHAB O=C(CSCc1ccc(Cl)c(Cl)c1)OCC(=O)c1ccc[nH]1 3431336 OUAPAGVPUDZYLY-UHFFFAOYSA-N 358.246 3.981 0 40 FHAB CCCN(CC1CC1)C(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 3456599 LXZQXCDRLQHMAW-UHFFFAOYSA-N 366.461 3.529 0 40 FHAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(C)=O)c(OC)c1 4162572 JFYQTUVEKFOOSY-UHFFFAOYSA-N 354.362 3.661 0 40 FHAB CCc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3F)c2=O)cc1 4905817 DFJLZPFPJLRDDJ-UHFFFAOYSA-N 374.415 3.902 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2)N1Cc1cccnc1 5516520 QLAPSFAGCQVRCP-HXUWFJFHSA-N 368.392 3.933 0 40 FHAB CCOC(=O)c1ccc2nc(NC(=O)c3cccc(OC)c3)sc2c1 6206805 COWUBIOOYHAYCR-UHFFFAOYSA-N 356.403 3.734 0 40 FHAB O=C(NC(=S)Nc1ccc(CN2CCCCC2)cc1)c1ccccc1F 6548322 MFJPUAOWNDKYMO-UHFFFAOYSA-N 371.481 3.938 0 40 FHAB COc1cc2c(cc1NC(=O)COC(=O)C1CCC1)oc1ccccc12 6639045 DQPVDEAUQJMPJQ-UHFFFAOYSA-N 353.374 3.876 0 40 FHAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3cccc(F)c3)CC2=O)cc1 6880994 VDZHCMQLFLRDKJ-AWEZNQCLSA-N 356.397 3.606 0 40 FHAB CCC(=O)c1ccc(OCC(=O)N[C@H](c2ccccc2)c2ccncc2)cc1 6978307 UVUZVJFAAMKCDL-HSZRJFAPSA-N 374.440 3.959 0 40 FHAB O[C@@H](COc1ccccc1)CSc1ncnc2sc3c(c12)CCC3 7198144 DDNSRXNJDLCRJM-LBPRGKRZSA-N 358.488 3.712 0 40 FHAB O=C(NCc1cccnc1)c1cc2cc(Cc3ccccc3)ccc2oc1=O 7499962 PELHIGQIFWTYHJ-UHFFFAOYSA-N 370.408 3.709 0 40 FHAB COc1ccccc1N1CCN(C(=S)Nc2cccc(C)c2C)CC1 7522443 DHRBMOVWMXSPJT-UHFFFAOYSA-N 355.507 3.831 0 40 FHAB Cc1ccc(-c2noc(CNC(=O)COc3ccc(Cl)c(C)c3)n2)cc1 7759475 QQGNZYOZXHVXDM-UHFFFAOYSA-N 371.824 3.702 0 40 FHAB O=C(CCC(=O)N1CCN(c2ccccn2)CC1)c1ccc2ccccc2c1 7955926 YVLNAULTMXXKQK-UHFFFAOYSA-N 373.456 3.547 0 40 FHAB COc1cc(Br)c(CCNC(=O)C2CCCCC2)cc1OC 8117128 NYLKAAOJANTPPB-UHFFFAOYSA-N 370.287 3.705 0 40 FHAB O=C(/C=C/c1ccccc1)Nc1ccc2nc(N3CCOCC3)sc2c1 8230898 ROFYHTXRLXZPSZ-RMKNXTFCSA-N 365.458 3.785 0 40 FHAB O=C(COc1ccccc1F)N(Cc1ccc2c(c1)OCO2)C1CCCC1 8327696 WQWASBGKQOQKFT-UHFFFAOYSA-N 371.408 3.905 0 40 FHAB Cc1ccc2nc(NC(=O)Cn3c(=O)oc4ccc(Cl)cc43)sc2c1 8741325 KJFACSPVSXXKMZ-UHFFFAOYSA-N 373.821 3.805 0 40 FHAB O=C(CSc1ncn[nH]1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 9194154 HJMZNACALWRVAG-UHFFFAOYSA-N 360.826 3.981 0 40 FHAB Cc1ccc(C(=O)CCC(=O)Nc2cccc(C(=O)NC3CC3)c2)s1 9447173 AOLFROYZLRAWQX-UHFFFAOYSA-N 356.447 3.550 0 40 FHAB O=C(Nc1cnc2sc3ccccc3n2c1=O)c1ccc(Cl)cc1 9775221 DYBRFIUUYMJFNG-UHFFFAOYSA-N 355.806 3.815 0 40 FHAB CCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2cc(C)on2)=C1C 10353459 SAVXLJMFVGRICV-INIZCTEOSA-N 374.828 3.635 0 40 FHAB NC(=O)c1c(NC(=O)CCc2ccccc2Cl)sc2c1CCCC2 10457689 SMXWWEHXQDOPJG-UHFFFAOYSA-N 362.882 3.951 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1cccs1 10853234 WVDCCWLKSBPPTI-LJQANCHMSA-N 370.474 3.524 0 40 FHAB CC(=O)N(c1ccccc1)c1nc(COc2ccccc2C(N)=O)cs1 11646489 OERFAHAHKJLIJG-UHFFFAOYSA-N 367.430 3.506 0 40 FHAB CCOc1ccc(CN2CCC[C@H](n3c(=O)oc4ccccc43)C2)cc1 12119121 RCIYSFJSMKMOJC-KRWDZBQOSA-N 352.434 3.830 0 40 FHAB C[C@H]1C(=O)N(CC(=O)c2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 12614654 AWDHGJPREDDEPF-NSHDSACASA-N 360.772 3.519 0 40 FHAB CC(C)[C@H](NC(=O)NC[C@@H]1COc2ccccc2O1)c1ccc(F)cc1 12765838 KKKPTWVQIDHCAF-APWZRJJASA-N 358.413 3.662 0 40 FHAB CCOc1ccc(CN(C)C(=O)c2cc3cnn(C(C)C)c3nc2C)cc1 12912918 CNCCKNNHUGJDPQ-UHFFFAOYSA-N 366.465 3.992 0 40 FHAB Cc1ccccc1NC(=O)CCn1c(S)nnc1-c1ccc(F)cc1 13009605 WXFOWLKHRABNEY-UHFFFAOYSA-N 356.426 3.710 0 40 FHAB Cc1ccccc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 13095408 BTLTWVMXOVUDTK-UHFFFAOYSA-N 372.490 3.812 0 40 FHAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1 13564329 QNIQCNVCVMLXAZ-HKBOAZHASA-N 370.408 3.738 0 40 FHAB Cc1cccc(-c2nnc([C@@H](C)Sc3nc4nc(C)cc(C)n4n3)o2)c1 14119701 YGRCMPMLMYQDBY-CYBMUJFWSA-N 366.450 3.953 0 40 FHAB COc1ccc(C)cc1[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1F 15331848 HUKSZHJSRYBFEP-LLVKDONJSA-N 357.834 3.836 0 40 FHAB CCCn1c(=O)n(CCC(=O)Nc2cccc(CC)c2)c2ccccc21 16699619 JRVWBNUUWBFJBG-UHFFFAOYSA-N 351.450 3.804 0 40 FHAB C[C@@H]1C[C@H]1C(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1 19495893 MREHILJAZLOOGJ-RDTXWAMCSA-N 364.424 3.523 0 40 FHAB COc1ccc(C2(CN3CCC(NC(=O)C4CC4)CC3)CCCCC2)cc1 19553819 ZXKDCUATGYWNIK-UHFFFAOYSA-N 370.537 3.888 0 40 FHAB CCN(C(C)=O)[C@H]1CN(C(=O)CCc2ccccc2)C2(CCCCC2)C1 19695902 QRPVIHUVAPCAGI-HXUWFJFHSA-N 356.510 3.791 0 40 FHAB C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1cccc(Br)c1 20025639 UMMBMECJROKTRY-LLVKDONJSA-N 362.223 3.711 0 40 FHAB COc1ccc(CN(C)C(=O)c2ccc(N3CCCCC3)cc2)cc1OC 20453176 FHONKLOALUSNIE-UHFFFAOYSA-N 368.477 3.966 0 40 FHAB COc1ccc(CNC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1OC 21307515 PMLCFIBETYOBQG-OAHLLOKOSA-N 357.450 3.911 0 40 FHAB COC(=O)C1(c2ccccc2)CCN(C(=O)c2cc3c(s2)CCC3)CC1 24450703 ZOCPJLRNBZEBEU-UHFFFAOYSA-N 369.486 3.584 0 40 FHAB CC(C)c1noc(-c2ccc(OCC(=O)NCc3cccs3)cc2)n1 32578811 IMDYKIPAMUXVCT-UHFFFAOYSA-N 357.435 3.617 0 40 FHAB Cc1ccsc1CN(C)[C@H](C)c1nc(N)nc(Nc2ccccc2)n1 32851012 FMAJWQYJISAQBX-CYBMUJFWSA-N 354.483 3.760 0 40 FHAB CN(C)C(=O)Cn1c(-c2ccc(Cl)cc2)cn2c3ccccc3nc12 35181253 DUSFGLVSZWWUER-UHFFFAOYSA-N 352.825 3.698 0 40 FHAB COc1ccc([C@H](OC(=O)c2cccs2)C(=O)NCc2ccco2)cc1 35288809 JULGFGGKDBRBNN-KRWDZBQOSA-N 371.414 3.564 0 40 FHAB CCOc1ccc(NC(=S)NC2C[C@@H]3CCC[C@H](C2)N3C2CC2)cc1 35311207 IRSUDVIWFFIYRK-ZNXRZULTSA-N 359.539 3.920 0 40 FHAB O=C(c1cccs1)N(Cc1cccnc1)Cc1ccc2c(c1)OCO2 35313075 WHABYJHNYJPKCJ-UHFFFAOYSA-N 352.415 3.714 0 40 FHAB COc1cccc(C(=O)N(C)Cc2ccc(Br)cc2)c1OC 36622835 HVVGZLJYNNWBPC-UHFFFAOYSA-N 364.239 3.739 0 40 FHAB COc1cccc(/C=C/C(=O)Oc2ccc(-c3noc(C)n3)cc2)c1OC 39978530 ZPMXXOPPSOOVTK-FMIVXFBMSA-N 366.373 3.681 0 40 FHAB COc1ccc2c(c1)CCCN2C(=O)Cc1c(C)nn(CC(C)C)c1C 40017446 PGLHPVWGCAIBQB-UHFFFAOYSA-N 355.482 3.686 0 40 FHAB COc1cc(OC)c2[nH]c(C(=O)NCCOc3cccc(Cl)c3)cc2c1 40113354 RYHZZRHUKQOJBZ-UHFFFAOYSA-N 374.824 3.647 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1nnc(CC(C)C)s1 42047683 JOJAOLUEQQTBQX-UHFFFAOYSA-N 355.467 3.791 0 40 FHAB CC(C)CN1CCC(NC(=O)NCc2ccc(Cl)cc2Cl)CC1 42996666 KEXZFTFVVXRYSX-UHFFFAOYSA-N 358.313 3.913 0 40 FHAB COc1ccc(OC)c(CNC(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1 43674467 NVZXUSHZEVWACO-UHFFFAOYSA-N 371.437 3.620 0 40 FHAB C[C@H](CNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 44014475 WGACNLRCNAKYTQ-MRXNPFEDSA-N 351.450 3.848 0 40 FHAB CCOc1cccc(CNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 44919759 IYXYOKWPJXPRAG-LJQANCHMSA-N 370.468 3.753 0 40 FHAB CC(C)[C@@H](CNC(=O)c1cc(-c2cccnc2)on1)Nc1ccccc1 45078273 UYRDIFRJCCEVNH-GOSISDBHSA-N 350.422 3.603 0 40 FHAB O=C([C@@H]1COc2ccccc2O1)N(Cc1ccco1)c1cccc(F)c1 45514568 IAEMRDYKIRXKRP-IBGZPJMESA-N 353.349 3.792 0 40 FHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc2nc(C)c(C)nc2c1 45865313 LMBMTKZDHMVNGG-UHFFFAOYSA-N 363.417 3.638 0 40 FHAB C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccco1)c1cc2ccccc2o1 45873392 GGXONOCKBPHKFH-HIFRSBDPSA-N 352.390 3.508 0 40 FHAB CN(CCCNC(=O)C1CCN(Cc2ccccc2)CC1)c1ccccc1 47301915 DINFIFRHMNBPCF-UHFFFAOYSA-N 365.521 3.541 0 40 FHAB CCCOc1cccc(NC(=O)NC2CCN(Cc3ccncc3)CC2)c1 47500641 GNPGGHRGWBKBDT-UHFFFAOYSA-N 368.481 3.657 0 40 FHAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ncn(Cc3ccccc3)n2)c1 48326352 YCTCRUUURBYQNA-UHFFFAOYSA-N 364.449 3.776 0 40 FHAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2F)C1 50734334 OUJFBWORAKSKHG-CHWSQXEVSA-N 354.853 3.636 0 40 FHAB CN(CC(=O)NC(=O)NCCC1=CCCCC1)Cc1ccc(Cl)s1 57761364 XRHSYCLSFSBUJY-UHFFFAOYSA-N 369.918 3.550 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@H](C)CC[C@@H]1CCCO1 58217923 XWBXXOHZLXLKGN-ACJLOTCBSA-N 359.445 3.706 0 40 FHAB O[C@H](COCc1ccccc1Cl)CSc1nnc(-c2ccco2)o1 58223615 FRKCEXYAFURTKM-GFCCVEGCSA-N 366.826 3.653 0 40 FHAB COc1ccc(C)cc1CN(C)C(=O)c1csc(-c2ccccn2)n1 58245405 UPKXQKNAYNZYEA-UHFFFAOYSA-N 353.447 3.794 0 40 FHAB COc1cc(CN(C)C(=O)NCc2csc(C)n2)ccc1SC 58291542 IHSQARQKPSBFCP-UHFFFAOYSA-N 351.497 3.524 0 40 FHAB O=C(OCc1coc(-c2cccs2)n1)c1ccc(N2CCOCC2)cc1 58385653 HHGKLPIDLVXIHV-UHFFFAOYSA-N 370.430 3.597 0 40 FHAB O=S(=O)(Oc1ccc(Oc2ccccn2)cc1)c1ccc(Cl)nc1 58612121 GDJQSCXIZOZSFJ-UHFFFAOYSA-N 362.794 3.690 0 40 FHAB CC(C)Oc1ccc(C(=O)NCc2ccc(Br)s2)cn1 58819339 YPMXMYULBLVMEY-UHFFFAOYSA-N 355.257 3.623 0 40 FHAB Cc1cc(C)n(CC2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)n1 62017855 GVXYUWRRHXXTTN-UHFFFAOYSA-N 364.449 3.707 0 40 FHAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(C(N)=O)s2)cc1 65476135 VANMGSWRCLIAQK-OAHLLOKOSA-N 358.463 3.613 0 40 FHAB Cc1sc(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(F)cc1F 65542946 IAMFMTMBBYCQOS-UHFFFAOYSA-N 366.414 3.711 0 40 FHAB COc1ccc(/C=C/C(=O)N[C@@H](C)COc2ccccc2C)cc1OC 65875177 USVGNADXLSTCBF-TYZQSYOASA-N 355.434 3.609 0 40 FHAB Oc1cc(C2CCN(Cc3cccc(F)c3)CC2)nc(-c2cccnc2)n1 72392744 LDRPFMAJYFHMIB-UHFFFAOYSA-N 364.424 3.763 0 40 FHAB Cc1cn2nc(NC[C@](O)(Cc3ccccc3)c3ccccc3)sc2n1 78583435 IMICPNXIOJSXJS-HXUWFJFHSA-N 364.474 3.642 0 40 FHAB CC(C)(C)OC(=O)N1CC[C@@H](CNCc2ccc(Br)cc2)C1 89223557 JQFLRYKFNUHUFO-AWEZNQCLSA-N 369.303 3.796 0 40 FHAB COc1ccc(N(C(=O)c2cnn(-c3ccncc3)c2C)C(C)C)cc1F 90552440 HOWIULVBKHVJJX-UHFFFAOYSA-N 368.412 3.779 0 40 FHAB COc1ccc(CCc2nc3nccc(-c4cccs4)n3n2)cc1OC 95474484 KCEFCIMTOXMBOY-UHFFFAOYSA-N 366.446 3.655 0 40 FHAB CCOc1ccc(-c2nc([C@@H](N)Cc3ccccc3)n[nH]2)cc1OCC 95534937 KSZCRRSTDICFDG-INIZCTEOSA-N 352.438 3.512 0 40 FHAB O=C(CSCc1ccc(Br)cc1)N[C@H]1C[C@@H]2CC[C@@H]1C2 100403424 NGFCCAYNRJDUOK-NFAWXSAZSA-N 354.313 3.987 0 40 FHAB COc1cccc([C@@H]2Nc3nonc3N=C3CC(C)(C)CC(O)=C32)c1OC 102739449 BRAYAORBVVWSNT-HNNXBMFYSA-N 370.409 3.958 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 224135661 SUUGYHVMAQEUDY-NRFANRHFSA-N 366.505 3.789 0 40 FHAB COc1ccccc1CNC(=S)Nc1ccc(OC)c2ncccc12 225314040 HWDJKGBTVTWURG-UHFFFAOYSA-N 353.447 3.739 0 40 FHAB COCCNC(=O)c1ccc(Nc2ccc(Cl)cc2Cl)c(N)c1 225427906 FWFLPEPVOQRUKO-UHFFFAOYSA-N 354.237 3.695 0 40 FHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 225535414 OSYRRAOCKIQVAC-MRXNPFEDSA-N 372.896 3.824 0 40 FHAB CCOc1cccc(NC(=S)NCc2nc(-c3ccc(C)cc3)no2)c1 225817574 BJAAZJGOFSCNIS-UHFFFAOYSA-N 368.462 3.930 0 40 FHAB Cc1ccc(N(C)C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)cc1C 225970556 CIUJRKCVDOXCFQ-UHFFFAOYSA-N 366.870 3.605 0 40 FHAB CC(=O)N1N=C(c2c(O)cc(C)oc2=O)C[C@@H]1c1ccc2ccccc2c1 227173627 VDUPXVXBROEDBR-GOSISDBHSA-N 362.385 3.505 0 40 FHAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]34C)[C@@]1(O)CC[C@]2(O)c1ccoc1 253476136 AEAPORIZZWBIEX-UCXNDRLVSA-N 374.521 3.986 0 40 FHAB Cc1cncc(CO[C@H]2CCOC3(C2)CN(Cc2ccccc2C)C3)c1 253602372 AGBOFALXEHKNPP-NRFANRHFSA-N 352.478 3.649 0 40 FHAB NC(=O)COc1ccc(CNc2ccccc2Cl)cc1Br 408557622 PQLBSLWENYDWIQ-UHFFFAOYSA-N 369.646 3.579 0 40 FHAB CCN(CC)c1ccc2cc(C(=O)N[C@@H]3CCCC[C@H]3C)c(=O)oc2c1 408806320 MOGKDNNWXZTPDH-RDTXWAMCSA-N 356.466 3.948 0 40 FHAB Cc1cc(NC(=O)N[C@]23C[C@@H]2COC3(C)C)nn1-c1cccc(Cl)c1 529051082 LYXCZXZETBBWSC-KZULUSFZSA-N 360.845 3.523 0 40 FHAB Cc1ccc(C)c([C@@H]2CN(CCOc3cccc(C(=O)O)c3)[C@H](C)CO2)c1 563284604 XVSPGEULTIQBED-UTKZUKDTSA-N 369.461 3.842 0 40 FHAB O=C(Nc1ccc(-c2cncnc2)cn1)c1ccc2c(c1)CCCCC2=O 574731658 JNHNDATYZIOXLQ-UHFFFAOYSA-N 358.401 3.700 0 40 FHAB O=C(CC(c1ccccc1)c1ccccc1)N1CC[C@H](Oc2ncccn2)C1 575609968 DBZMMQGAASHSDD-FQEVSTJZSA-N 373.456 3.679 0 40 FHAB C[C@H](c1ccccc1)N1CCOC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 585104209 KVOGVFDFGQFHAG-VGOFRKELSA-N 368.452 3.642 0 40 FHAB CC(=O)N[C@@H]1CC[C@H]2CN(c3cc(C(C)(C)C)nc(C(C)(C)C)n3)C[C@@H]2C1 585137584 HVJROSFNOIPHKN-YESZJQIVSA-N 372.557 3.813 0 40 FHAB Cc1ccc2nc([C@@H]3CCCN3C(=O)Cc3ccc4c(c3)CCO4)[nH]c2c1 622313939 ZEVKVKZEJJUPFJ-IBGZPJMESA-N 361.445 3.712 0 40 FHAB OC[C@@]1(c2ccccc2)CCN(c2nc(-c3cc(F)cc(F)c3)ns2)C1 645246917 XXPZOLJWLUFVRJ-LJQANCHMSA-N 373.428 3.624 0 40 FHAB Cc1cc(C(=O)NCC2(c3cccc(OC(F)(F)F)c3)CCC2)cnn1 655253215 ANYNISGJNRKMCU-UHFFFAOYSA-N 365.355 3.535 0 40 FHAB COCC1(C2CCC2)CN(C(=O)NCc2c(OC)ccc3ccccc23)C1 663574075 PHAPMLZDJJZCSR-UHFFFAOYSA-N 368.477 3.807 0 40 FHAB C[C@@H]1CCCCN1C(=O)c1ccc(NCc2ccn(C)c(=O)c2)cc1Cl 674650402 XUIAWGWJDCGCMT-CQSZACIVSA-N 373.884 3.665 0 40 FHAB Cc1cccc2c1CCC[C@@H]2NC(=O)c1c[nH]c2c(F)cc(F)cc2c1=O 1641241037 OJYRGEIAODPYRV-SFHVURJKSA-N 368.383 3.922 0 40 FHAB Cc1cc(OC[C@@H]2CCCN(C(=O)NCc3ccc(F)cc3)C2)ccn1 1775972462 HGVJXBDHUMVCCG-QGZVFWFLSA-N 357.429 3.530 0 40 FHAB Cc1noc(C)c1CN1CCN(c2cc(C3CCC3)nc(C3CC3)n2)CC1 1888879097 FRHVEUOYOPLJAQ-UHFFFAOYSA-N 367.497 3.549 0 40 FHAB C[C@]1(C(=O)N2CCC[C@@]3(CC2)CN(Cc2ccoc2)CCO3)CC=CCC1 2055793270 JLJDBENIXWNJRB-FCHUYYIVSA-N 372.509 3.610 0 40 FHAB CC[n+]1cn(C[C@H](O)COc2ccc(Cl)cc2)c2cc(C)c(C)cc21 781060 MACUYUKUMPTZNA-KRWDZBQOSA-N 359.877 3.659 0 40 FHAB C[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]12 1032277 BYVFOFBKVZWNOW-HMEQZMJYSA-N 371.742 3.582 0 40 FHAB COc1cc(NC(=O)C(C)C)c(OC)cc1NC(=O)c1ccccc1F 1324324 LSRKOYBFTASIFW-UHFFFAOYSA-N 360.385 3.690 0 40 FHAB Cc1nn(-c2ccccc2)c2c1C(=O)N(c1ccccc1)C(=O)C(C)(C)C2 2267887 IETFGGBQONAYOX-UHFFFAOYSA-N 359.429 3.936 0 40 FHAB CCO[P@](=O)(c1c(F)c(F)c(F)c(F)c1F)C1(O)CCCCC1 2320603 IJWQTQDJZLNFBB-HSZRJFAPSA-N 358.243 3.975 0 40 FHAB COCCn1c(SCC(=O)c2ccc(F)c(F)c2)nc2ccccc21 2616248 ZDRWCBUKKOVIHT-UHFFFAOYSA-N 362.401 3.936 0 40 FHAB CCOc1ccccc1NC(=O)[C@H](Sc1nncn1C)c1ccccc1 2646788 AVXGMQHUNHCGJN-QGZVFWFLSA-N 368.462 3.686 0 40 FHAB COc1cccc2c(=O)n(CC(=O)Nc3cccc4ccccc34)ccc12 2706557 OHRKXWVYCSKWHM-UHFFFAOYSA-N 358.397 3.802 0 40 FHAB Cc1[nH]c2ccccc2c1SCCNC(=O)c1ccc2c(c1)OCO2 2721104 UOUSZIROHNDCKO-UHFFFAOYSA-N 354.431 3.727 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 3019163 PLIZFSOTSPEVTD-UHFFFAOYSA-N 359.250 3.811 0 40 FHAB O=C(COC(=O)Cc1ccc(F)cc1)Nc1cc(Cl)ccc1Cl 3231771 VARIGBJWZGXUEG-UHFFFAOYSA-N 356.180 3.857 0 40 FHAB Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2CCC3)cc1F 3422688 XDEVPQBYWVQQSV-LJQANCHMSA-N 350.372 3.972 0 40 FHAB C[C@@]1(C(=O)OCC(=O)c2ccc(Br)cc2)CC1(Cl)Cl 3525430 VNWZJMABJJOILO-LBPRGKRZSA-N 366.038 3.759 0 40 FHAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCN1C(=O)Nc1ccccc1 4694531 BRAPCJRESXZWKX-PQGQHUGISA-N 367.493 3.768 0 40 FHAB COc1ccc(-c2cc(=O)n3c(-c4ccc(F)cc4)nnc3s2)cc1 4786647 UKHJLKPFABVIIE-UHFFFAOYSA-N 353.378 3.633 0 40 FHAB COc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)n3ncnc3N2C(C)=O)cc1 4816553 MEBILJNXTXZQFS-UXHICEINSA-N 362.433 3.682 0 40 FHAB CCOc1ccccc1Nc1nnc(SCC(=O)c2ccc[nH]2)s1 4843428 OTUKVIYHNJBSAT-UHFFFAOYSA-N 360.464 3.984 0 40 FHAB CCOc1ccc(N2C[C@@H](C(=O)Oc3cccc(C)c3C)CC2=O)cc1 5002158 XXHCWUFXGGACPA-INIZCTEOSA-N 353.418 3.661 0 40 FHAB O=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1CNc1ccccc1 5124792 OSMUXDHHXIZFJG-CXUHLZMHSA-N 354.387 3.521 0 40 FHAB COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1ccc(C)cc1F 5244815 BOMCPNQIBVBHRK-UHFFFAOYSA-N 351.761 3.592 0 40 FHAB CC(=O)Nc1ccc(C(=O)OCc2cc(Cl)cc3c2OCOC3)cc1 5367381 ANEHKSVSOGJXMK-UHFFFAOYSA-N 361.781 3.522 0 40 FHAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)cc3)o2)cc1 5788745 ZMDYFCVDUAKFJR-UHFFFAOYSA-N 369.446 3.708 0 40 FHAB Cc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(N)=O)cc1 6054046 FYRDTALMGMAILN-FOWTUZBSSA-N 372.424 3.672 0 40 FHAB CC(C)CNC(=O)CN1C(=O)S/C(=C\c2cccc3ccccc23)C1=O 6326301 MHJVKLUCDCYFSQ-YVLHZVERSA-N 368.458 3.648 0 40 FHAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)NCCC(c1ccccc1)c1ccccc1 6337992 QTHDVVJUSLBQDK-NHCUHLMSSA-N 363.457 3.992 0 40 FHAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccccn2)cc1 7158183 MFHVTUZDVAZVFX-LGMDPLHJSA-N 363.442 3.861 0 40 FHAB C[C@@H](Sc1nnc2[nH]c3ccccc3n12)C(=O)NC1CCCCCC1 7199322 LIYYZRPOUJCWGK-GFCCVEGCSA-N 357.483 3.530 0 40 FHAB CCCCn1nnnc1NCc1cc(Cl)c(OCC)c(OCC)c1 7262121 WDBIHRFTUXUSCU-UHFFFAOYSA-N 353.854 3.536 0 40 FHAB C[C@@H](NC(=O)COC(=O)c1cccs1)c1ccc(Br)cc1 7533004 ZACFSTRESKXCHT-SNVBAGLBSA-N 368.252 3.545 0 40 FHAB O=C(CSc1nnc(C2CC2)n1C1CC1)N1CCC[C@@H]2CCCC[C@H]21 7550985 LRFZVOGKWDDAEN-XJKSGUPXSA-N 360.527 3.764 0 40 FHAB CCOc1c(Br)cc(C(=O)Nc2nccs2)cc1OC 7654697 VIWKWUVCSZBJCS-UHFFFAOYSA-N 357.229 3.565 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)c1 7780845 GPUYTECNJWBBPK-MRXNPFEDSA-N 365.433 3.779 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)OCC(=O)N1CCCc2ccccc21 7980863 GXLRETCKNKSOTP-UHFFFAOYSA-N 362.429 3.623 0 40 FHAB COc1ccc2cc([C@@H](C)C(=O)Nc3ccc(-n4cnnn4)cc3)ccc2c1 7986943 FJKHIZWQZUNJSC-CQSZACIVSA-N 373.416 3.566 0 40 FHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc2ccccc2c1 8076633 MEHOSHSRUZYBGT-HNNXBMFYSA-N 360.413 3.983 0 40 FHAB CCCCn1nc(C)c(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1Cl 8185740 RJBAXYFQFYBKQU-UHFFFAOYSA-N 374.872 3.790 0 40 FHAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1cccc(F)c1 8310421 WYMHFYVADPMPLL-SFHVURJKSA-N 370.424 3.763 0 40 FHAB COc1ccc(NC(=O)CN(C)C(=O)CSc2ccc(C)cc2C)cc1 8312954 JPONPRUUXQTDIT-UHFFFAOYSA-N 372.490 3.501 0 40 FHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1 8414259 AHCJRTXAIZBBLU-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB Cc1nn(-c2ccccn2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)c2cccs2)C1 8623883 NFRBOWSGITUHKO-HZPDHXFCSA-N 364.474 3.788 0 40 FHAB biogenic,in-vitro COC(=O)CCSc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1 8778273 VXJVFBLUHDHAMK-UHFFFAOYSA-N 369.446 3.598 0 40 FHAB CCc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOC)CC2=O)cc1 8845057 MXLBKKLGPYNZDB-KRWDZBQOSA-N 363.461 3.766 0 40 FHAB O=C(NC(=S)NCc1ccco1)c1ccc(-c2ccc(Cl)cc2)o1 9140910 IAOWHTYHPNQATP-UHFFFAOYSA-N 360.822 3.998 0 40 FHAB O=C(Cc1c(F)cccc1Cl)NCc1ccccc1Cn1cccn1 9458775 HDZVFGNCEILBRZ-UHFFFAOYSA-N 357.816 3.583 0 40 FHAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccc(SC)cc2)C1=O 9596475 MMXKGDRTRVSMLF-LJQANCHMSA-N 358.438 3.905 0 40 FHAB COc1cc(OC)cc(-c2nn3c(-c4cccc(F)c4)nnc3s2)c1 10311581 LAGXXUPIWXFINB-UHFFFAOYSA-N 356.382 3.676 0 40 FHAB COc1ccc(O[C@H](C)C(=O)NCCOc2ccc3ccccc3c2)cc1 11717898 DVNGDZHGZWCAQG-MRXNPFEDSA-N 365.429 3.811 0 40 FHAB Cc1nc(SCC(=O)NCCOc2ccccc2)n(C2CCCC2)c1C 12507807 UVQFDQVQDQVJEH-UHFFFAOYSA-N 373.522 3.902 0 40 FHAB Cc1cnc2c(S(=O)(=O)Nc3ccc(F)c(F)c3F)cccc2c1 12523411 WNPKKYJFWMDWLA-UHFFFAOYSA-N 352.337 3.761 0 40 FHAB CSc1ncc(C(=O)Nc2ccc3c(c2)OCO3)n1-c1ccccc1 12538983 OFWDOTMSZWZOGU-UHFFFAOYSA-N 353.403 3.575 0 40 FHAB C[C@H](OC(=O)c1sccc1-n1cccc1)c1nc2ccccc2c(=O)[nH]1 12996952 FCYWSNLJFKKYGA-LBPRGKRZSA-N 365.414 3.693 0 40 FHAB COc1cc(CC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc(OC)c1OC 14185922 GEZRQWYJJIBOPM-GVDBMIGSSA-N 361.482 3.730 0 40 FHAB COc1ccc(C(=O)Nc2cccc(C(=O)Nc3c(C)n[nH]c3C)c2)cc1 14404539 VLUYFGTUWXBRIH-UHFFFAOYSA-N 364.405 3.540 0 40 FHAB CCOC(=O)c1cccc(NC(=O)c2cc3ccccc3c(=O)s2)c1 15838835 JLEFVGOXRHBJSR-UHFFFAOYSA-N 353.399 3.691 0 40 FHAB C[C@H]1CN(C(=O)[C@H](C)Nc2ccccc2Cc2ccccc2)C[C@@H](C)O1 16045391 OHGQORPIIGSVOO-KSZLIROESA-N 352.478 3.714 0 40 FHAB CC(C)NC(=O)CCc1csc(NC(=O)Nc2cccc(Cl)c2)n1 16849188 ZQVOGCFQFYLMIV-UHFFFAOYSA-N 366.874 3.898 0 40 FHAB O=C(Nc1nnc2n1CCCS2)C1c2ccccc2Oc2ccccc21 17200503 OBQUAVZHJQFBQG-UHFFFAOYSA-N 364.430 3.650 0 40 FHAB Cc1csc([C@H](Cc2ccsc2)NC(=O)[C@H](C)n2nccc2C)n1 19238316 LSZYFXWSWSVKAD-ZFWWWQNUSA-N 360.508 3.679 0 40 FHAB Cc1ccsc1CN(CCCN1CCOCC1)Cc1ccccc1F 19238586 LWSUKNKFXRYKQV-UHFFFAOYSA-N 362.514 3.920 0 40 FHAB CCC(=O)N1CCN(CC)C(=O)[C@H](Cc2ccccc2-c2cccs2)C1 19498939 BRHNTSCZYGIXAP-QGZVFWFLSA-N 370.518 3.675 0 40 FHAB CCc1noc(C)c1C(=O)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 19521215 IZDFRCLPAGCCNG-LBPRGKRZSA-N 372.450 3.677 0 40 FHAB CCOc1cc(CN2CCN(Cc3ccc(C)cc3)CC2)ccc1OC 19889605 OVCYETWKZBOFFG-UHFFFAOYSA-N 354.494 3.720 0 40 FHAB CCOc1ccccc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 20189973 HHZRQYXXYPSONC-DHZHZOJOSA-N 350.462 3.557 0 40 FHAB CCOc1ccccc1CNS(=O)(=O)c1cc(Cl)ccc1Cl 20451816 LFOKRYKXQZWRPE-UHFFFAOYSA-N 360.262 3.871 0 40 FHAB C[C@@H]1Oc2ccc(NC(=O)CCCc3c[nH]c4ccccc34)cc2NC1=O 21640946 MFUNYIZNEKKEMV-ZDUSSCGKSA-N 363.417 3.849 0 40 FHAB O=C(NCc1cccs1)c1cccc(OCc2cn3ccccc3n2)c1 22740167 FFHURLHWPVLIFA-UHFFFAOYSA-N 363.442 3.905 0 40 FHAB CC(=O)N(c1nn(CN(C)[C@H]2CCc3ccccc32)c(=S)s1)C1CC1 22758695 YHHKTQRPYNQWPG-INIZCTEOSA-N 374.535 3.766 0 40 FHAB O=C(CCn1ccc2ccccc21)NCc1ccccc1Cn1cccn1 24625876 HDYNKWMFPSIEBA-UHFFFAOYSA-N 358.445 3.593 0 40 FHAB O=C(Nc1ccc2c3c(cccc13)CC2)[C@@H]1CCCN1C(=O)c1ccco1 24708543 BFINGAALOHMFND-SFHVURJKSA-N 360.413 3.775 0 40 FHAB CN(C)[C@@H](CNC(=O)COc1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 28289283 WCYZSIQIILXVGS-FQEVSTJZSA-N 372.484 3.921 0 40 FHAB CCc1ccc([C@H](C)NC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1 32863024 OIYASWKDTZYGCS-INIZCTEOSA-N 365.477 3.936 0 40 FHAB COc1cc(C(=O)NCCSCc2ccco2)ccc1OC(F)F 32999758 XEZBUMDILSBXRJ-UHFFFAOYSA-N 357.378 3.553 0 40 FHAB COC(=O)c1ccc(COC(=O)Cc2csc(-c3cccc(C)c3)n2)o1 37132765 OLYXMOYIUCPLDQ-UHFFFAOYSA-N 371.414 3.784 0 40 FHAB Cc1cc(NC(=O)CN(C)C(=O)c2ccc(-c3ccc(F)cc3)s2)no1 40013153 OKCMQCDXURPCQQ-UHFFFAOYSA-N 373.409 3.561 0 40 FHAB Cc1ccc(SCC(=O)NCC2(c3ccccc3)CCOCC2)cc1 41407696 KQIYWAIPMDPHEQ-UHFFFAOYSA-N 355.503 3.952 0 40 FHAB CCOc1ccccc1Nc1nnc(SCc2ccn(C)c(=O)c2)s1 42089907 SYFYCHTUHYULAO-UHFFFAOYSA-N 374.491 3.671 0 40 FHAB C[C@H](NC(=O)c1cc2ccccc2s1)c1ccc(NS(C)(=O)=O)cc1 45834452 ADPDAGNEGFTEOA-LBPRGKRZSA-N 374.487 3.764 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)n(Cc2cccnc2)c1=O)c1ccccc1 45955345 SSPVORJGWXNWIQ-UHFFFAOYSA-N 373.334 3.563 0 40 FHAB Cc1cc(Br)c(O)c(C(=O)Nc2ccccc2CN(C)C)c1 47831777 YGYXZJNHDIEUPN-UHFFFAOYSA-N 363.255 3.777 0 40 FHAB Cc1cc(C(=O)N[C@H](C)[C@H]2CCCO2)cc(C)c1OCc1cccnc1 49674643 LACWJCRNMFKLHN-VQIMIIECSA-N 354.450 3.575 0 40 FHAB CC(C)(C)NC(=O)c1ccccc1NC(=O)COc1cccc(Cl)c1 56173293 WKEKEKZIHRCIOI-UHFFFAOYSA-N 360.841 3.886 0 40 FHAB Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN(Cc1cccnc1)CO2 57121289 QLBKEXTXJJGUEV-UHFFFAOYSA-N 362.429 3.727 0 40 FHAB CC[C@@H](C)n1c(SCC(=O)NCc2ccco2)nnc1-c1ccccc1 58195338 QUBLEJMTMRSPAC-CQSZACIVSA-N 370.478 3.918 0 40 FHAB O=C(Nc1ccn(Cc2ccccn2)n1)c1ccc(Cl)c2cccnc12 58197151 CGXQIOWSFSDTHE-UHFFFAOYSA-N 363.808 3.780 0 40 FHAB CC(C)(C)OC(=O)N1CCC(NCc2ccccc2Br)CC1 67800501 ZZGBAPHKIJWPCT-UHFFFAOYSA-N 369.303 3.938 0 40 FHAB Cc1nn(C)c(C)c1[C@H]1CC(O)=Nc2c1c(=O)[nH]n2C1CCCCCC1 71279786 QAZBRQXMXXSOCM-CQSZACIVSA-N 357.458 3.546 0 40 FHAB C[C@@H]1CCCC[C@H]1OCCNC(=O)N1CCc2[nH]c3ccccc3c2C1 71805112 QTYWXXVAKFAJBE-FOIQADDNSA-N 355.482 3.831 0 40 FHAB Cn1cc(NC(=O)c2csc(-c3ccccc3)n2)c(-c2ccncc2)n1 72306421 CNGBFYJPJDLZGJ-UHFFFAOYSA-N 361.430 3.858 0 40 FHAB Cn1ccc(CN2CCCN(Cc3ccccc3)c3ccccc32)cc1=O 72308370 CTNKAAWKVROXBN-UHFFFAOYSA-N 359.473 3.802 0 40 FHAB O=C(c1cc[nH]n1)N1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 72358059 PLZSPUYRSYFYKG-LJQANCHMSA-N 350.397 3.512 0 40 FHAB Fc1ccccc1Oc1nccnc1[C@H]1CCCN(Cc2ncc[nH]2)C1 72362989 ZCAVKEPMLPUACD-AWEZNQCLSA-N 353.401 3.511 0 40 FHAB COc1ccc(Oc2cncc([C@@H]3CCCN3C3CCOCC3)n2)cc1 72384262 WQKWIYJZKXCBRU-IBGZPJMESA-N 355.438 3.593 0 40 FHAB O=C(NCc1cccc2ccccc12)c1ccc(CN2CCOCC2)cc1 74475670 XQVVFYDYAXDFJK-UHFFFAOYSA-N 360.457 3.602 0 40 FHAB O=C(Nc1ccc(Cl)cc1)c1nnn(-c2ccc(C(F)(F)F)cc2)n1 77100376 HZTVFHMBFZQICR-UHFFFAOYSA-N 367.718 3.587 0 40 FHAB O=C(N[C@H]1CCCOc2ccc(F)cc21)[C@H](c1ccccc1)n1cccn1 84519380 NBAYLNFXEGSOPS-ICSRJNTNSA-N 365.408 3.642 0 40 FHAB Cc1nn(-c2ccc(C(=O)N3C[C@H](C)OCC3(C)C)cc2)c(C)c1Cl 91115248 QNPVCXLUQHENHV-LBPRGKRZSA-N 361.873 3.782 0 40 FHAB CC(C)N(C)c1cccc(NC(=O)[C@@H]2CCCCN2Cc2ccncc2)c1 95955953 PLPFYONPJUVIRK-NRFANRHFSA-N 366.509 3.919 0 40 FHAB O=C(Nc1nc2c(s1)CN(C(=O)Nc1cccs1)CC2)c1ccoc1 96024337 SRHGPPOFUGWASF-UHFFFAOYSA-N 374.447 3.640 0 40 FHAB Cc1nc(CN2CCC3(CCN(Cc4ccccn4)CC3)CC2)cs1 96047201 GKYOWUJOEABFLO-UHFFFAOYSA-N 356.539 3.725 0 40 FHAB CC(C)C(=O)N[C@H]1CC2(CCN(Cc3ccco3)CC2)Oc2ccccc21 96079861 RCFUJARZFNYWCR-IBGZPJMESA-N 368.477 3.910 0 40 FHAB CC1=N[C@@]2(CC[C@@H]3CN(Cc4cccc(Cl)c4)C[C@@H]32)C(=O)N1CC1CC1 96261480 AXDHLWGTGGAFDT-SLYNCCJLSA-N 371.912 3.591 0 40 FHAB c1ccc(-c2cnc3n2C[C@H](CNCc2cnc4ccccc4c2)OC3)cc1 96296461 FMTWXKBRVYMJQZ-FQEVSTJZSA-N 370.456 3.787 0 40 FHAB biogenic,in-vitro COC1CCN(c2ccc(NS(=O)(=O)Cc3cccc(C)c3)cc2)CC1 96382287 GDUOQRHHKPYWEL-UHFFFAOYSA-N 374.506 3.552 0 40 FHAB Cc1ccccc1N1C(=O)C[C@@H](Nc2ccc(Br)cc2)C1=O 101079585 SXUSEQRHXIRSMV-CQSZACIVSA-N 359.223 3.502 0 40 FHAB CC(=O)NCc1ccc(-c2csc(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)n2)o1 104622743 XRRVSXOYMRCEMR-IHRRRGAJSA-N 373.478 3.804 0 40 FHAB O=C(Cc1csc(NC(=O)c2ccccc2F)n1)O[C@H]1C[C@H]2CC[C@H]1C2 107333490 GPORAGWQJKXSRT-MKBNYLNASA-N 374.437 3.809 0 40 FHAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC 222490460 CZFHPMREMYGSKS-IBGZPJMESA-N 372.896 3.826 0 40 FHAB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)cc1 223882050 BRMSNJQGOUSQQR-OALUTQOASA-N 364.474 3.918 0 40 FHAB Cc1ccc(CNC(=S)Nc2ncc(Cl)cc2Br)o1 223903688 YBEILWQTUYARDP-UHFFFAOYSA-N 360.664 3.886 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C)c(C)c1 225056549 RODHRMLUYHFGCF-CYBMUJFWSA-N 356.447 3.623 0 40 FHAB CCn1c(=O)sc2cc(NS(=O)(=O)c3cc(C)ccc3C)ccc21 225122691 JGGDISZZGUJRKS-UHFFFAOYSA-N 362.476 3.501 0 40 FHAB Cc1ccc(NC(=S)N2CCN(Cc3ccccn3)CC2)c(Cl)c1 225225150 GOLODKAHDMZBTQ-UHFFFAOYSA-N 360.914 3.558 0 40 FHAB CCCOc1ccc(NC(=O)C(C)(C)Br)cc1C(=O)OCC 225786390 FLMOWHMHQNPCAP-UHFFFAOYSA-N 372.259 3.764 0 40 FHAB O=C(O)/C=C/c1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2)c1 226323147 UVOFYMPJVLASDT-RUDMXATFSA-N 360.822 3.565 0 40 FHAB Cc1ccc(-c2ccc(C(=O)O)o2)cc1NS(=O)(=O)c1ccccc1 226353204 USGNJMUPWJPEIC-UHFFFAOYSA-N 357.387 3.754 0 40 FHAB O=C(O)CCc1ccc(-c2ccccc2)n1NC(=O)c1ccccc1F 408971538 HYCNRXNNFZRUIH-UHFFFAOYSA-N 352.365 3.695 0 40 FHAB Cc1c(F)cccc1NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 408998209 APEJAMBPPHBDDJ-SFHVURJKSA-N 356.397 3.874 0 40 FHAB CC1=NN(C(=O)CSCc2ccccc2)[C@](O)(c2ccc(C)cc2)C1 409354442 FKBZUVAARXAFTP-HXUWFJFHSA-N 354.475 3.682 0 40 FHAB COc1ccc2cc(CNC3CCN(c4cc(C)[nH]n4)CC3)ccc2c1 526127799 TXKQWVATAUQFEY-UHFFFAOYSA-N 350.466 3.639 0 40 FHAB COc1ccc([C@H](C)NC(=O)N2CCc3ccccc3CC2)c(C)c1OC 563955979 BAOCYYOSCMXSJI-INIZCTEOSA-N 368.477 3.884 0 40 FHAB COc1ccc(F)cc1C(=O)N(Cc1ccnc(OC(C)C)c1)C1CC1 585081954 JAPVLEJGNRTZHI-UHFFFAOYSA-N 358.413 3.821 0 40 FHAB CCN1C(=O)C2(CCN(C(=O)c3cc(C)cc(C)c3)CC2)c2ccccc21 585104219 NARRLQNRKGHWEW-UHFFFAOYSA-N 362.473 3.844 0 40 FHAB CC(=O)N1CC[C@H](NCCc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C1 585283711 BXSDZPONXPPLMH-IRLDBZIGSA-N 370.924 3.952 0 40 FHAB Cc1nonc1CC(=O)N1CCCCCCCc2ccccc2OCCC1 643584269 KPMRRIHWJXQKIP-UHFFFAOYSA-N 371.481 3.725 0 40 FHAB O=C(C(=O)N1CCc2sccc2[C@H]1c1cccs1)c1ccc(O)cc1 1624635067 LJFRQPZUDPJMNW-KRWDZBQOSA-N 369.467 3.872 0 40 FHAB C=CC(=O)Nc1cccc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)c1 1636250740 PNPBKXJJTLEQID-SFHVURJKSA-N 370.836 3.678 0 40 FHAB CCc1ccc(-c2n[nH]c(S[C@H](Cc3ccccc3)C(=O)O)n2)cc1 1776005499 COJANZYEPXFUAI-MRXNPFEDSA-N 353.447 3.822 0 40 FHAB Cc1cc(N2CCC[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)ncn1 2037666340 BYXPPDHSASYHIX-INIZCTEOSA-N 352.413 3.887 0 40 FHAB CN(C)c1cccc(C(=O)Nc2ccc(I)cc2)c1 1097943 IQGLYJNRGKLNRA-UHFFFAOYSA-N 366.202 3.610 0 40 FHAB CCOc1ccc2nc(Nc3nc(C)c(C(C)=O)c(C)n3)nc(C)c2c1 1268462 RXAOHPJJHFLORL-UHFFFAOYSA-N 351.410 3.690 0 40 FHAB Cc1cccc(N2C(=O)CN(C(C)C)C(=O)[C@@H]2c2ccc(F)cc2)c1C 1358099 YCKJELDBCLQVQN-FQEVSTJZSA-N 354.425 3.767 0 40 FHAB CCOc1ccc(NC(=O)COc2cccc(Br)c2)cc1 1473153 UKIQKWPVVGRRKY-UHFFFAOYSA-N 350.212 3.865 0 40 FHAB COc1cccc(COc2ccc3c(C)c(CC(=O)O)c(=O)oc3c2C)c1 2091027 JFYBAEYFENGNLO-UHFFFAOYSA-N 368.385 3.625 0 40 FHAB biogenic O=C(NC1=NC(=O)[C@](F)(C(F)(F)F)S1)Nc1ccc2ccccc2c1 2282719 SGORFDQCBSUHEF-CQSZACIVSA-N 371.315 3.819 0 40 FHAB CCN(CC)CCNc1ncnc2c1[nH]c1ccc(Br)cc12 2368594 JVJPNYGWKLOKTR-UHFFFAOYSA-N 362.275 3.627 0 40 FHAB C[C@H]1CCCCN1C(=O)CSc1nnc(Nc2ccccc2F)s1 2634146 IHEOVQIBHMPXIF-NSHDSACASA-N 366.487 3.914 0 40 FHAB COc1ccc2o/c(=N\c3cccc(C(F)(F)F)c3)c(C(N)=O)cc2c1 3108400 GOQSMUKHPTWZMP-QJOMJCCJSA-N 362.307 3.792 0 40 FHAB CC[C@H](C)n1c(SCC(C)=O)nc2sc3c(c2c1=O)CCCC3 3288544 YLQHPVAFQZFNOK-JTQLQIEISA-N 350.509 3.989 0 40 FHAB COc1ccc(NC(=O)CSc2cccc3cccnc23)c(OC)c1 3289945 YBCVCYFTGZLRJN-UHFFFAOYSA-N 354.431 3.983 0 40 FHAB CN(C)[C@H](CNC(=O)CCC(=O)c1ccc(Cl)s1)c1ccccc1 3331609 OADABBGGGKUEFF-CQSZACIVSA-N 364.898 3.784 0 40 FHAB CC(=O)c1ccc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)cc1 3434467 DNLBPJGPXNAPJQ-UHFFFAOYSA-N 359.376 3.522 0 40 FHAB O=c1c2ccccc2nc(/C=C/c2ccc(O)cc2)n1-c1ccc(O)cc1 3902182 HUPBVONQZREDOH-VGOFMYFVSA-N 356.381 3.967 0 40 FHAB COc1ccc2nc(NC(=S)NC(=O)c3cccc(F)c3)sc2c1 4520400 UAFBJCCWSPNAPC-UHFFFAOYSA-N 361.423 3.571 0 40 FHAB COc1ccccc1NC(=O)C1=C(C)Nc2nc(SC)nn2[C@H]1C(C)C 4933013 FVYIOPLCOPPBNI-HNNXBMFYSA-N 373.482 3.544 0 40 FHAB COc1ccc(-c2nnc(NC(=O)Cc3ccc(C)cc3C)o2)c(OC)c1 5268145 RTCWWYAWEXGZRQ-UHFFFAOYSA-N 367.405 3.552 0 40 FHAB CCc1ccc(-c2csc(NC(=O)[C@H](C)Sc3ncn[nH]3)n2)cc1 5736680 CRNFKPYVLHRFSJ-JTQLQIEISA-N 359.480 3.610 0 40 FHAB Cc1cc(C(=O)CCC(=O)OCC(=O)Nc2ccccc2F)c(C)s1 5768626 RSHKLSXUFNDMTI-UHFFFAOYSA-N 363.410 3.649 0 40 FHAB COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)cc1 6127775 DBWDHMRNYOTEDP-UHFFFAOYSA-N 358.463 3.767 0 40 FHAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OC)c(O)c3)S2)cc1 6394976 QMTZMQFYIZYTMV-XGHXRCDJSA-N 356.447 3.563 0 40 FHAB CCOC(=O)c1c(NC(=O)NCc2ccncc2)sc2c1CCCC2 6662178 SVGQHHQEVLILMT-UHFFFAOYSA-N 359.451 3.520 0 40 FHAB COc1ccccc1N1C[C@H](C(=O)Nc2ccccc2C(C)C)CC1=O 6939795 XVWMYDRCJGYBSI-OAHLLOKOSA-N 352.434 3.810 0 40 FHAB Cc1sc(NC(=O)c2n[nH]c(=O)c3ccccc23)nc1-c1ccccc1 6968792 UMZLICYDGHLNPP-UHFFFAOYSA-N 362.414 3.607 0 40 FHAB CC(=O)NCc1ccc(C(=O)CSc2nc3cc(C)ccc3[nH]2)s1 6972228 DEEFJHSJYLCHPU-UHFFFAOYSA-N 359.476 3.544 0 40 FHAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1cccc(Cl)c1Cl 7552567 XUFIXDLKOYUUDG-AWEZNQCLSA-N 355.221 3.669 0 40 FHAB Cc1ccccc1OCC(=O)OCC(=O)N[C@H](C)c1cc2ccccc2o1 8200888 LIHNHTLPCPBZON-OAHLLOKOSA-N 367.401 3.541 0 40 FHAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(NC(=O)c2ccco2)cc1 8270866 QFMCZJDPQYTIPF-UHFFFAOYSA-N 373.412 3.986 0 40 FHAB COc1cc(CNCCO)ccc1OCc1ccc(Cl)c(Cl)c1 8471415 DKLACEFJDFSXLD-UHFFFAOYSA-N 356.249 3.663 0 40 FHAB CCc1ccc(C(=O)CSc2nc3ccsc3c(=O)n2C)s1 8748129 MXXYBFFRNZPVGT-UHFFFAOYSA-N 350.490 3.594 0 40 FHAB O=C(CSCc1cccs1)NCc1ccccc1Cn1cccn1 8945128 PTMDZHIMOSLTRG-UHFFFAOYSA-N 357.504 3.543 0 40 FHAB Cc1cc(Br)ccc1SCC(=O)NCc1ccc(C)n1C 8982401 DMFZCPNEFMNKNI-UHFFFAOYSA-N 367.312 3.813 0 40 FHAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccccc1-c1ccccc1)CS2 9499931 XFBSCXCUHAQAMM-XLIONFOSSA-N 352.459 3.746 0 40 FHAB CS(=O)(=O)Nc1ccc(NC(=O)Nc2cccc3ccccc23)cc1 11562949 MCESISYLVIYKBV-UHFFFAOYSA-N 355.419 3.855 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)c2cn3ccc(C)cc3n2)c(OC)c1 11584282 PYFWNCKDFOKNNV-SFHVURJKSA-N 365.433 3.637 0 40 FHAB COc1cccc(-c2cc(CNC(=O)COc3ccc(Cl)cc3)no2)c1 11613500 AWIIDXDKFVMLEF-UHFFFAOYSA-N 372.808 3.699 0 40 FHAB CC(C)CCCN1CC[C@@H](N2CCN(c3ccccc3)CC2)CCC1=O 11913628 PHJRLFZQBUPRNU-NRFANRHFSA-N 357.542 3.626 0 40 FHAB COc1ccc(OC[C@H]2[C@@H]3CC[C@@H](C3)N2C(=O)c2cnn(C(C)C)c2)cc1 12220632 KKSLSPNZYHPJLR-SYNHAJSKSA-N 369.465 3.545 0 40 FHAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cc1ccc(F)cc1 12232701 QYQYADMUOXHOCL-UHFFFAOYSA-N 354.406 3.834 0 40 FHAB CSc1ncc(C(=O)N2CCc3[nH]c4c(Cl)cccc4c3C2)cn1 12325665 KLXHYGIXXRAYAI-UHFFFAOYSA-N 358.854 3.532 0 40 FHAB COC(=O)c1ccc2oc(S[C@@H]3CCc4ccccc4C3=O)nc2c1 12417846 VWQLOJKBEXWPIQ-MRXNPFEDSA-N 353.399 3.904 0 40 FHAB Cc1ccc(NC2=NN=C(c3ccc4c(c3)CC(=O)N4C)CS2)cc1C 12608878 REDWCTSTIWGTDY-UHFFFAOYSA-N 364.474 3.741 0 40 FHAB CC(C)n1ncc2cc(C(=O)N[C@@H](c3ccccc3)c3ccccn3)cnc21 12610395 YECXFVYXXYIADQ-FQEVSTJZSA-N 371.444 3.927 0 40 FHAB CCCCCc1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)cc1 12996128 SNKYDLMRPBTGNX-UHFFFAOYSA-N 353.466 3.903 0 40 FHAB COc1ccc2[nH]c(=O)c(CN(C(C)=O)c3cc(C)ccc3C)cc2c1 13479911 DZYIOYIGHDRUAQ-UHFFFAOYSA-N 350.418 3.707 0 40 FHAB O=C(Cc1ccc(NC(=O)c2ccccc2F)cc1)NCc1cccs1 13716617 SAGGEJXPQGKVMT-UHFFFAOYSA-N 368.433 3.998 0 40 FHAB O=C(Oc1ccccc1N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1cccs1 15229314 HWJPBRYHYUUGAH-STQMWFEESA-N 355.415 3.647 0 40 FHAB Cc1c(-c2cncn2C[C@@H](C)N2CCCCC2)cnn1Cc1ccccc1 19654446 JEULDXSWNPFXRC-GOSISDBHSA-N 363.509 3.978 0 40 FHAB COc1c2c(cc3c1[C@H](CC(=O)c1ccc(C)cc1)N(C)CC3)OCO2 19942997 JAQQMTRBQLKIHD-INIZCTEOSA-N 353.418 3.534 0 40 FHAB biogenic Cc1cc(Cl)cc(Cl)c1OCC(=O)NCc1ccc(C(=O)O)cc1 20144525 VAUJESXFEGEBAO-UHFFFAOYSA-N 368.216 3.695 0 40 FHAB O=C(Cc1cc(-c2ccccc2F)on1)NCCc1c[nH]c2ccccc12 23127224 JEZJELZBJAOWQJ-UHFFFAOYSA-N 363.392 3.863 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)c1oc2ccccc2c1COC 23681426 AECXFOUYXBMLKJ-UHFFFAOYSA-N 366.417 3.971 0 40 FHAB FC(F)(F)c1ccc(N2CCCN(c3ncnc4ccccc34)CC2)nc1 24340749 IOOVPVPSDSMNSD-UHFFFAOYSA-N 373.382 3.760 0 40 FHAB Cc1nc(-c2cc(C)n(CC(=O)NOCc3ccccc3)c2C)cs1 25039299 FZHPMDADDSKPCO-UHFFFAOYSA-N 355.463 3.785 0 40 FHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@H]1c1ccc(F)cc1 25536622 VSRIDDGQAOHUAO-SFHVURJKSA-N 361.438 3.515 0 40 FHAB O=C(COc1ccc2c(c1)OCO2)Nc1cc(C(F)(F)F)ccc1F 27935390 PAGRLKDCFXJKMY-UHFFFAOYSA-N 357.259 3.591 0 40 FHAB CC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc(OC)c(Cl)c1 27978542 DADRSBAGQIUKJZ-CQSZACIVSA-N 363.797 3.873 0 40 FHAB O=C1[C@@H](c2ccccc2)N(C[C@H]2CCCO2)C(=S)N1c1ccccc1 28405641 FRQJWVJWTDTDNH-QZTJIDSGSA-N 352.459 3.540 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCc3ccccc32)C1 30057522 ZJEUNFFEILVQDB-FUHWJXTLSA-N 358.482 3.827 0 40 FHAB O=C(Nc1cccc(Cn2ccnc2)c1)c1c[nH]nc1-c1ccc(F)cc1 30688404 KMAXGYFYDMCOHT-UHFFFAOYSA-N 361.380 3.713 0 40 FHAB COc1cccc(O[C@H](C)C(=O)NCCSCc2ccccc2F)c1 30752184 KGWKBUNYZUDEPG-CQSZACIVSA-N 363.454 3.651 0 40 FHAB CCc1ccc(C(=O)CSc2nnc(NC[C@H]3CCCO3)s2)s1 32824200 DWXIMKGCXOGWHB-SNVBAGLBSA-N 369.537 3.728 0 40 FHAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCC(CN2CCCCCC2)CC1 32927280 AEDCGPXZRJSGOX-KRWDZBQOSA-N 368.525 3.572 0 40 FHAB O=C(Oc1ccc(-c2nnco2)cc1)c1ccc(OC[C@H]2CCCO2)cc1 32996061 DWEHIHGQTPFLRW-GOSISDBHSA-N 366.373 3.514 0 40 FHAB O=C(CSc1ncn(C(=O)/C=C/c2ccc(F)cc2)n1)c1ccccc1 33533759 NICYYRFEWPYQBP-DHZHZOJOSA-N 367.405 3.746 0 40 FHAB CSc1cccc(NC(=O)c2c(-n3cnnn3)sc3c2CCCC3)c1 36366872 TXZDSXRLTXZBJM-UHFFFAOYSA-N 371.491 3.577 0 40 FHAB O=C(CCCc1cccs1)NC1CCN(C(=O)C2CCCCC2)CC1 36392728 NJEMLWCBZNLTTF-UHFFFAOYSA-N 362.539 3.758 0 40 FHAB Fc1cccc(CN(Cc2ccnn2[C@H]2CCCCO2)C[C@@H]2CCCO2)c1 36719409 WKFDTFIGJCVQGL-LEWJYISDSA-N 373.472 3.903 0 40 FHAB CCc1cccc(Cc2cnc(NC(=O)c3cnn4cccnc34)s2)c1 44743921 XJLQRKQBZPMABM-UHFFFAOYSA-N 363.446 3.591 0 40 FHAB COc1ccccc1CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 44847804 UQNOKTQHWYFUSP-UHFFFAOYSA-N 369.442 3.966 0 40 FHAB CC(C)n1ncc2cc(NC(=O)N3CCC[C@@H](C(F)(F)F)C3)cnc21 48231884 FBUXOXMQXWCCCN-GFCCVEGCSA-N 355.364 3.818 0 40 FHAB Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN(Cc1ccco1)CO2 55393764 RRZDMUGHXQRFDH-UHFFFAOYSA-N 351.402 3.925 0 40 FHAB O=C(Cc1cc2ccccc2[nH]c1=O)N[C@@H]1CCc2cc(Cl)ccc21 55739618 ZDVYKRQUIRKITE-GOSISDBHSA-N 352.821 3.528 0 40 FHAB O=C(CCN1CCC[C@@H]1c1cccc(F)c1)N1CCc2sccc2C1 55905717 VPFGQMOANPMRAA-GOSISDBHSA-N 358.482 3.999 0 40 FHAB CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1S(=O)(=O)CC 57767438 HZKQAFBDPDHIAD-UHFFFAOYSA-N 371.911 3.857 0 40 FHAB Cc1ccccc1CSCC(=O)N1CCN(c2ccc(F)cc2)CC1 58172253 UAMYCUQOFVOYRZ-UHFFFAOYSA-N 358.482 3.716 0 40 FHAB CC(C)C[C@@H](NC(=O)C[C@H](NC(N)=O)c1cccs1)c1cccs1 58245075 QJZXUCWPSJMVKP-OLZOCXBDSA-N 365.524 3.813 0 40 FHAB CC(C)N1CC[C@H](CNC(=O)c2ccc(Br)cc2Cl)C1 58358019 MDMPRBBYGNMQRF-LLVKDONJSA-N 359.695 3.563 0 40 FHAB Cc1noc(C)c1[C@@H](C)C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 69350382 IMULRNUNZUBZMV-DYVFJYSZSA-N 370.449 3.920 0 40 FHAB O=C(c1ccc2ncccc2c1)N1CCN(c2cccc(Cl)c2)CC1 71120170 LBRHUAWEGSYBMK-UHFFFAOYSA-N 351.837 3.851 0 40 FHAB Cc1ccc(C(=O)Nc2cccc3c2ccn3CC(C)C)cc1-n1cnnn1 71285308 ATHZMUGKZBVMCN-UHFFFAOYSA-N 374.448 3.834 0 40 FHAB COc1ccc2cc(C(=O)[C@H]3CCCN(CCc4cn[nH]c4)C3)ccc2c1 71639262 LBUDLSPOYQDAGG-FQEVSTJZSA-N 363.461 3.709 0 40 FHAB CCn1c2ccccc2c2cc(NC(=O)CCCN3CCOC3=O)ccc21 71943201 WWDHDHOOHQAMOM-UHFFFAOYSA-N 365.433 3.985 0 40 FHAB CC[C@@](C)(NCC(=O)Nc1cccc(Br)c1)C(F)(F)F 72308742 AAAFDGCYMVLGNU-GFCCVEGCSA-N 353.182 3.708 0 40 FHAB CCc1onc(C)c1-c1nc(NC2CCCC2)ncc1-c1cnccn1 72337519 NIDRQZFEFWYHHU-UHFFFAOYSA-N 350.426 3.814 0 40 FHAB COc1ccccc1-c1cccc([C@H]2CCCN(Cc3cnn(C)c3)C2)n1 72349956 RAPOQJPYAXNCIZ-SFHVURJKSA-N 362.477 3.870 0 40 FHAB O=C(C[C@H]1COC(=O)C1)Nc1ccc(NCc2ccccc2)c(Cl)c1 84539324 FBJAQJOWRTZHIO-CQSZACIVSA-N 358.825 3.844 0 40 FHAB COc1cc(-c2ccnc3nc(-c4cccs4)nn23)cc(OC)c1OC 95479469 PPDGCVHKVLIKGS-UHFFFAOYSA-N 368.418 3.546 0 40 FHAB Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NCC[C@H]2CCCO2)c1 95948948 SXDGAWISULEPSP-QGZVFWFLSA-N 351.446 3.833 0 40 FHAB Cc1nc(-c2ccccc2)sc1[C@H](C)OC(=O)c1ccc(=O)n(C)c1 95958916 YBJROZMBJMYANV-ZDUSSCGKSA-N 354.431 3.735 0 40 FHAB O=C(N[C@@H]1CCCc2cn(CC(F)(F)F)nc21)c1ccccc1Cl 96002958 ZNKFAHVSDQSOCB-CYBMUJFWSA-N 357.763 3.906 0 40 FHAB CCOC(=O)CCNC(=O)c1ccc(CNc2cccc(Cl)c2)cc1 98181723 PTAAQMLJAODTBN-UHFFFAOYSA-N 360.841 3.635 0 40 FHAB COc1ccccc1Cn1c(S)nc2c(-c3ccccc3)c[nH]c2c1=O 100071576 YKEPZDIDXLKFTR-UHFFFAOYSA-N 363.442 3.737 0 40 FHAB Cc1ccc(C[C@H]2CC(=O)N([C@H](C)c3ccc(-n4ccnc4)cc3)C2=O)cc1 100188280 XBSWHCIBLCFYRB-XLIONFOSSA-N 373.456 3.860 0 40 FHAB OC1(Cn2ccc3ncccc32)C[C@@H]2CC[C@@H](C1)N2Cc1ccc(F)cc1 100213333 ZEALJAJREGDOGB-OALUTQOASA-N 365.452 3.734 0 40 FHAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NCc1nccs1 103546597 DPJVYBOCBWWNLT-CPWXYTRJSA-N 369.328 3.883 0 40 FHAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 205762967 PYKYICMZTUCGSO-LFYBBSHMSA-N 374.245 3.981 0 40 FHAB CC[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1)c1ccc(C)cc1 222482782 NJNRWQYPYXFSTK-GOSISDBHSA-N 374.506 3.580 0 40 FHAB COc1ccc([C@@H](C)NC(=O)c2cn3c4c(cccc4c2=O)C[C@@H]3C)cc1 223097273 XDCHHZQOBCASPT-UONOGXRCSA-N 362.429 3.618 0 40 FHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)[nH]1 224592784 PDTKQXCIKXPEKF-OALUTQOASA-N 364.474 3.909 0 40 FHAB Cc1cccc(CSCCNS(=O)(=O)c2ccc(F)c(C)c2)c1 225602528 NIMMXQBHNULLQG-UHFFFAOYSA-N 353.484 3.654 0 40 FHAB CC(C)c1cc(C(=O)N2C[C@H]3[C@@H](Oc4cccc(F)c4)CC[C@H]3C2)on1 257327730 XCLVBZVSFAZLEB-XCRHUMRWSA-N 358.413 3.867 0 40 FHAB Fc1cccc(CN2CC[C@@]3(C2)CN(Cc2cccnc2)c2cccnc23)c1 306132515 LLEYJPPMVHRGTQ-HSZRJFAPSA-N 374.463 3.780 0 40 FHAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2C)ccc1C 408613108 ZWKCDVHJUVBSIU-UHFFFAOYSA-N 366.870 3.507 0 40 FHAB CO[C@@H](C(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1ccccc1 409029154 YEBHVNLNRQQOIA-OAQYLSRUSA-N 374.440 3.943 0 40 FHAB Cc1ccccc1NC(=O)CSc1nnc(C)n1-c1ccc(F)cc1 409105479 HWVMLVJFOLHSMD-UHFFFAOYSA-N 356.426 3.754 0 40 FHAB CSCC[C@@H](C(=O)NCCn1ccc2ccc(F)cc21)n1cccc1 575443143 XJPBZQLXBANDFR-KRWDZBQOSA-N 359.470 3.693 0 40 FHAB C[C@@H](O)C[C@H]1CCCCCN1C(=O)c1ccc(Nc2cccnc2)cc1 614721091 GSDCYOBAKTYJOQ-OXQOHEQNSA-N 353.466 3.981 0 40 FHAB O=C(N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1onc2c1CCCC2 616471275 UEMHBIVXMHSPGT-KGLIPLIRSA-N 364.449 3.886 0 40 FHAB Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1csc(-c2ncccn2)n1 644067661 RWGYQSLQIDMYFL-UHFFFAOYSA-N 362.418 3.551 0 40 FHAB Cc1cnc(OC2CCN(Cc3ccccc3C(F)(F)F)CC2)nc1 653799209 QPUUOBXCCPOZEH-UHFFFAOYSA-N 351.372 3.847 0 40 FHAB CO[C@@H]1CCC[C@@H](CC(=O)NCc2c(C(=O)O)sc3ccccc23)C1 668275068 REZVBJWYUIAXLJ-CHWSQXEVSA-N 361.463 3.811 0 40 FHAB Cc1c(CN2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)cnn1C 1615127211 CRGBBGMFTFGITP-UZLBHIALSA-N 356.489 3.747 0 40 FHAB CC(C)(C)SCc1nnc2sc(-c3ccc4c(c3)OCCO4)nn12 1772491185 WTVMXBSJXJHLLK-UHFFFAOYSA-N 362.480 3.656 0 40 FHAB COc1ccc(C(=O)c2cn(CC3CC3)c3ccc(OC)cc3c2=O)cc1 1889253732 UONOTXGWNXUOFL-UHFFFAOYSA-N 363.413 3.660 0 40 FHAB COc1ccc2c(c1)OCCCCOCCN(Cc1csc(C)n1)C2 2037988961 PCHGXTKXOYHDST-UHFFFAOYSA-N 362.495 3.652 0 40 FHAB O=C(NCc1cccc(N2CCCC2)c1)c1cccc(Br)c1 2298139610 PYDJQCIHENTQRT-UHFFFAOYSA-N 359.267 3.979 0 40 FHAB COc1ccc(-c2nc3cccc(C)n3c2NC[C@@H]2CCCO2)cc1O 904113 ZVBLWCAXKMINSL-HNNXBMFYSA-N 353.422 3.615 0 40 FHAB COc1cc(OC)cc(-c2nnc(SCC(=O)c3cccs3)o2)c1 929517 RGAKYZSSDUICDC-UHFFFAOYSA-N 362.432 3.790 0 40 FHAB COc1cccc(-c2noc([C@H]3CCCN(C(=O)CC(C)(C)C)C3)n2)c1 1360359 CCBXKKRMQDHAQH-HNNXBMFYSA-N 357.454 3.887 0 40 FHAB C[C@H]1CCc2sc(NC(=O)c3ccc(Cl)s3)c(C(N)=O)c2C1 1518496 GHNNQBJQORVAAC-ZETCQYMHSA-N 354.884 3.939 0 40 FHAB O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)O)c1ccccc1Cl 2214472 RNURPDRGCDHNED-UHFFFAOYSA-N 369.229 3.818 0 40 FHAB Cc1nc(N2CCN(c3ccccn3)CC2)c2c3c(sc2n1)CCCC3 2680186 GARZVEHQLXZYQS-UHFFFAOYSA-N 365.506 3.600 0 40 FHAB O=C(COC(=O)c1cccc(O)c1)Nc1ccc(SC(F)F)cc1 3287544 OZWONLGFEJIZSM-UHFFFAOYSA-N 353.346 3.502 0 40 FHAB CC(=O)Nc1ccccc1OCC(=O)c1cc(C)n(C[C@@H]2CCCO2)c1C 3355066 ZPBCOFFITUNDSW-KRWDZBQOSA-N 370.449 3.504 0 40 FHAB Cc1cccc(-c2nnc(SCC(=O)NCC3CCCCC3)n2C)c1 3400567 FGOXKOFHIGDPHO-UHFFFAOYSA-N 358.511 3.579 0 40 FHAB CCN(C(=O)[C@H](C)OC(=O)c1ccc2ncsc2c1)c1ccccc1 3556888 WWISIULBMRMJAC-ZDUSSCGKSA-N 354.431 3.895 0 40 FHAB Cc1c(C(=O)O)sc2nc(SC/C=C/c3ccccc3)[nH]c(=O)c12 4094680 JZKRSIOIWPJKFT-VMPITWQZSA-N 358.444 3.797 0 40 FHAB O=C1COc2ccc(Cl)cc2N1Cc1cc2c(cc1Cl)OCO2 4502604 LAARFUPUZQKQFA-UHFFFAOYSA-N 352.173 3.648 0 40 FHAB O=C(Nc1ccc2[nH]c(CN3CCCCC3)nc2c1)c1ccccc1F 4937146 IJPRDHJOLXUEQM-UHFFFAOYSA-N 352.413 3.940 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(-c2nnco2)cc1 5208839 UOTDEEGMMOGBKG-LLVKDONJSA-N 373.796 3.805 0 40 FHAB O=C1Cc2cc(S(=O)(=O)Nc3ccccc3-c3ccccc3)ccc2N1 5252804 FKOAOLSEFZKMBN-UHFFFAOYSA-N 364.426 3.649 0 40 FHAB O=Cc1ccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 6408612 MKCCQNMSHNZOFH-UHFFFAOYSA-N 352.173 3.601 0 40 FHAB COc1ccc(Nc2ncnc3c2cnn3Cc2ccccc2)c(OC)c1 6660513 WSNRRSXNNWUHJS-UHFFFAOYSA-N 361.405 3.635 0 40 FHAB NC1=Nc2nc3ccccc3n2[C@@H](c2ccccc2OCc2ccccc2)N1 7126278 JILMQZAAAWQVKS-FQEVSTJZSA-N 369.428 3.712 0 40 FHAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 7217389 NRBGSSNUHJGWJI-OAHLLOKOSA-N 362.451 3.961 0 40 FHAB C[C@H](C(=O)NC1CCCCC1)N(C)CC(=O)Nc1cccc2ccccc12 7267758 IDBUAMXNSINLNM-MRXNPFEDSA-N 367.493 3.548 0 40 FHAB COc1ccc(-c2noc(-c3nnn(-c4cc(F)ccc4F)c3C)n2)cc1 7615750 FXJYUVMFUPZREO-UHFFFAOYSA-N 369.331 3.580 0 40 FHAB O=C(CCN1C(=O)CSc2ccccc21)Nc1ccc(F)c(Cl)c1 8075440 SKKMGODPPMNJGS-UHFFFAOYSA-N 364.829 3.947 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)N2CC[C@H]3CCCC[C@@H]3C2)o1 8277253 JTUPXXKTWOKBQP-ZIAGYGMSSA-N 361.467 3.769 0 40 FHAB CC(C)c1ccc(NC(=O)CSCc2nc3ccsc3c(=O)[nH]2)cc1 8310537 GORHCRAYHUHBGT-UHFFFAOYSA-N 373.503 3.980 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3ccccc3)nc2C)no1 8329122 NIFGPUMHRNOUGG-CQSZACIVSA-N 365.389 3.537 0 40 FHAB O=C(Nc1ccc(CN2CCCC2)cc1)c1cncc(Br)c1 8734833 JYZZAFNREZCMHI-UHFFFAOYSA-N 360.255 3.692 0 40 FHAB CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)ccc1O 8780369 JJRXFQNDPZBOFM-FOIQADDNSA-N 368.433 3.536 0 40 FHAB O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)Nc1cccnc1 9423734 QAFWVEUWOIKQDI-UHFFFAOYSA-N 372.380 3.873 0 40 FHAB biogenic C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)c1ccc(C(C)(C)C)cc1)C2=O 9532881 XSCAVGNRMBDZPC-SZNDQCEHSA-N 356.466 3.668 0 40 FHAB Cc1ccc(/C=C(\C(=O)N(C)Cc2ccccc2)n2ccccc2=O)cc1 9762829 NREGGEOZHIJRSN-LTGZKZEYSA-N 358.441 3.813 0 40 FHAB Cc1ccc(C)c(-c2nn([C@@H](C)C(=O)NC3CC3)c(=O)c3ccccc23)c1 9836693 UWAQVKHHZBDPBC-HNNXBMFYSA-N 361.445 3.520 0 40 FHAB Cc1cccc(NC(=O)C[C@H]2SC(=O)N(Cc3ccccc3)C2=O)c1 10386437 BTDLHSJZCRWKQE-MRXNPFEDSA-N 354.431 3.588 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C 10684211 RGCLLFPXNSJPAD-JKSUJKDBSA-N 354.450 3.929 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)OCc2nc(-c3cccs3)oc2C)c1C 11180503 NBFIKEGQKBTWMT-UHFFFAOYSA-N 374.418 3.800 0 40 FHAB O=c1c(Cl)c(Cl)cnn1Cc1ccc(F)cc1Br 11500086 DJRDFPAGFCRKBN-UHFFFAOYSA-N 351.990 3.500 0 40 FHAB CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1nnnn1-c1cccc(C)c1C 11623340 MEIOJCBGKRLIDW-HZPDHXFCSA-N 373.526 3.551 0 40 FHAB COc1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccnc2)CC3)c1 11695806 XRGLNWFPDYWZAZ-UHFFFAOYSA-N 373.412 3.545 0 40 FHAB O=C(CCn1c(-c2ccccn2)cc2cccnc21)NCc1ccc(F)cc1 12238290 BAGXYLYLXGOVRN-UHFFFAOYSA-N 374.419 3.944 0 40 FHAB COc1ccc(OC)c(NC(=O)C2=C(c3ccccc3)SCCO2)c1 12391971 LVZQKGCWWDNQDJ-UHFFFAOYSA-N 357.431 3.775 0 40 FHAB Cc1ccc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c(Cl)c1 12877926 HPHFEYCOULDNEO-UHFFFAOYSA-N 356.809 3.550 0 40 FHAB COC(=O)c1cc(NC(=O)CCc2ncc(-c3ccccc3)o2)ccc1F 12917953 IFJFIAQOMNDVEV-UHFFFAOYSA-N 368.364 3.839 0 40 FHAB COc1ccc2cc(CN(C)Cn3nc(C)c4ccccc4c3=O)ccc2c1 14142017 SKYJZUKSGHEGLQ-UHFFFAOYSA-N 373.456 3.956 0 40 FHAB CCCCOC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 18115831 ZXGCNQONCZWEOM-UHFFFAOYSA-N 368.385 3.888 0 40 FHAB biogenic CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(F)cc2)cc1 18768969 BBWKSKLWADXYMH-CYBMUJFWSA-N 357.381 3.993 0 40 FHAB CCC(=O)N1CC[C@](Cc2ccc(-c3ccsc3)cc2)(C(=O)N(C)C)C1 19498425 FBVSCPXPJVEOFL-OAQYLSRUSA-N 370.518 3.675 0 40 FHAB COc1ccc2cc3c(nc2c1)OC(=O)N(CCc1ccc(F)cc1)C3 19564013 VLQOYFAWCAXJGR-UHFFFAOYSA-N 352.365 3.940 0 40 FHAB COc1ccccc1[C@@H]1CCCN1CC(=O)Nc1ccnn1C1CCCC1 19659255 CAHBYPYPCRPHKK-SFHVURJKSA-N 368.481 3.782 0 40 FHAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cccnc1Cl 20143559 UEDZIPNAOFLIPL-UHFFFAOYSA-N 358.781 3.748 0 40 FHAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccccc1 20151460 RACSKHOECYYVLG-UHFFFAOYSA-N 366.442 3.874 0 40 FHAB Cc1ccc(C)c(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1 20482094 SFOSMWUWUHWGCN-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB COC(=O)COc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 21023245 ZTOJLJMYAKYGCT-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB O=C(CCc1ccsc1)N1CCN(Cc2nc3ccccc3s2)CC1 23845371 XREIEEJLLMSNGS-UHFFFAOYSA-N 371.531 3.635 0 40 FHAB CNc1nc(S[C@@H](C)C(=O)NCC2CCCCC2)nc2ccccc12 24599428 DTSAFCDTAUPLBC-ZDUSSCGKSA-N 358.511 3.849 0 40 FHAB CCN(CC)C(=S)SCc1cc(=O)n2c(n1)sc1ccccc12 24863902 BBICEHMTMDUYGG-UHFFFAOYSA-N 363.533 3.769 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1nnc(C(C)C)s1 25323961 BWWPYNCWIQREJZ-UHFFFAOYSA-N 355.467 3.645 0 40 FHAB CCCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1 31903969 FFVBESZHWNHKIP-UHFFFAOYSA-N 363.435 3.591 0 40 FHAB Cn1cnnc1-c1cccc(NC(=O)c2ccc(Br)s2)c1 32028820 SPXBCDBCLODGDD-UHFFFAOYSA-N 363.240 3.558 0 40 FHAB O=c1[nH]c(CSc2n[nH]c(/C=C/c3ccccc3)n2)nc2ccccc12 32893509 WGFBCMNGZGTSBY-ZHACJKMWSA-N 361.430 3.504 0 40 FHAB CC(=O)c1ccc(OC[C@@H](O)CN[C@H](c2ccc(C)cc2)C2CC2)cc1 32899656 BMNMWIVEBXZKOA-RBBKRZOGSA-N 353.462 3.678 0 40 FHAB CCOC(=O)N[C@@H](C(=O)N(C)Cc1ccc2cc(OC)ccc2c1)C(C)C 32911711 XTDPVTOPMPONMS-LJQANCHMSA-N 372.465 3.578 0 40 FHAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC(CN2CCCCCC2)CC1 32927278 AEDCGPXZRJSGOX-QGZVFWFLSA-N 368.525 3.572 0 40 FHAB CSc1ccc([C@H]2CC(O)=Nc3nc(N4CCOCC4)sc32)cc1 36354117 KJFVPTOTYPAYGS-CYBMUJFWSA-N 361.492 3.825 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)CSCc1nc(-c2cccs2)no1 36398622 YVZOFAFNWLIFJW-NWDGAFQWSA-N 351.497 3.726 0 40 FHAB CCN(C(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1nc2ccccc2s1 36760452 AXUOGGKJONVISK-MRXNPFEDSA-N 369.421 3.982 0 40 FHAB O=C(N[C@@H]1C=CCC[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 38528627 OTYJADWWVDSUOQ-AZUAARDMSA-N 363.413 3.945 0 40 FHAB Cn1ccnc1COc1ccc(C(=O)Nc2cccc3cccnc23)cc1 40119408 HRVMLWFXATXODX-UHFFFAOYSA-N 358.401 3.800 0 40 FHAB COc1ncccc1CNC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 43907332 YQOMPSYEOTUWFV-UHFFFAOYSA-N 369.421 3.844 0 40 FHAB CCc1ccc(N2C[C@@H](c3noc(-c4cccc(OC)c4)n3)CC2=O)cc1 44415781 HVLNQPBURPYXHW-INIZCTEOSA-N 363.417 3.828 0 40 FHAB CCc1nc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(C)cc3)C2)sc1C 44732541 IQAXMWALEAZSNN-MRXNPFEDSA-N 371.506 3.813 0 40 FHAB O=C(NC1CCN(c2ccccn2)CC1)c1ccc(-c2ccccc2F)o1 46618771 MSZONPNTZZLONZ-UHFFFAOYSA-N 365.408 3.880 0 40 FHAB N#CCOc1cccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)c1 50547969 MGPMMJHOAVOAJY-WJDWOHSUSA-N 351.387 3.683 0 40 FHAB Clc1cc2c(c(CSc3nnc(N4CCCC4)s3)c1)OCOC2 52912730 ZRFNSRCVNZGNOL-UHFFFAOYSA-N 369.899 3.951 0 40 FHAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 55720611 SZUJMLBQMHMFPG-CWTRNNRKSA-N 374.387 3.732 0 40 FHAB CCOC(=O)[C@H]1CC(=O)N(c2ccc3oc(-c4cccc(C)c4)nc3c2)C1 57326903 RQFZCTLOOJTCTE-HNNXBMFYSA-N 364.401 3.719 0 40 FHAB O=Cc1ccc(-c2cc(C(F)(F)F)c(S(=O)(=O)O)cc2Cl)o1 57327591 OYTIRFBWRTVKCY-UHFFFAOYSA-N 354.689 3.678 0 40 FHAB CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(OC)cc2OC)[nH]n1 57477112 PCKKHPBZSZENKK-UHFFFAOYSA-N 365.433 3.756 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)NC[C@H]1CCCN(Cc2cccs2)C1 58201190 MLIQQVNHFZDYPW-MRXNPFEDSA-N 367.518 3.800 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)N2CCC(n3cccc3)CC2)c1 58210864 HXLBZGIIYHUBKP-HNNXBMFYSA-N 357.454 3.613 0 40 FHAB Cc1c(-c2ccncc2)n[nH]c1NC(=O)c1cc(C2CC2)nc2onc(C)c12 58227116 SZZQOCQWFADBCL-UHFFFAOYSA-N 374.404 3.754 0 40 FHAB O=C(Nc1ccccc1)OCCN1C(=O)C[C@@H]2Sc3ccccc3N=C21 59682013 ZYUBWDLTMSRQFE-INIZCTEOSA-N 367.430 3.672 0 40 FHAB Cc1ccc(F)c(C(=O)O[C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)c1N 64184791 WRKNNHGFKCHPJY-KBPBESRZSA-N 370.424 3.630 0 40 FHAB COc1ccc(CNC(=O)c2cn(C(C)C)c(=O)c3ccccc23)cc1 72324621 PWPJWTBKEPKGOG-UHFFFAOYSA-N 350.418 3.521 0 40 FHAB biogenic O[C@H](c1ccccn1)c1ccccc1N1CCN(Cc2cccs2)CC1 72340683 DJCZMTGTJWRGMA-NRFANRHFSA-N 365.502 3.547 0 40 FHAB Cc1c(C(=O)NC2CCC(O)CC2)sc2nc(C(F)(F)F)ccc12 75691996 IJZLWUXICQHYBX-UHFFFAOYSA-N 358.385 3.657 0 40 FHAB CC(C)(C)SCC(=O)Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2 79013621 KAJCUYITAATAOD-UHFFFAOYSA-N 362.373 3.507 0 40 FHAB COc1cccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCCC(=O)O)c1 89469793 DCQZESWYZANJMA-IBGZPJMESA-N 366.417 3.628 0 40 FHAB Cc1cccc(-c2nc(CC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)cs2)c1 95476240 JAXPNMAEBZEIIY-DYESRHJHSA-N 370.518 3.815 0 40 FHAB CCOc1ccc([C@H](N)c2n[nH]c(-c3ccc(Cl)cc3)n2)cc1OC 95534238 SLTRGRFYPFSLLW-INIZCTEOSA-N 358.829 3.581 0 40 FHAB COc1ccc(CN2CC[C@@]3(C[C@H](Nc4cccc(F)c4)CO3)C2)cc1 96047597 QQTZKGMAIOOPOE-PZJWPPBQSA-N 356.441 3.680 0 40 FHAB CCOc1ccsc1C(=O)N1CC[C@@H](OC)[C@@H](Cc2ccccc2)C1 96110190 MKIMXPOBPPAZFQ-DLBZAZTESA-N 359.491 3.867 0 40 FHAB O=C(c1ccncc1)N1CC[C@H](OCC2CC2)[C@@H](Cc2ccccc2)C1 96110598 BDIWZQQDGHNTGN-SFTDATJTSA-N 350.462 3.582 0 40 FHAB O=C(O)c1c(C(F)(F)F)nc2ccccc2c1I 96171866 QUPXFAVNWSDFEB-UHFFFAOYSA-N 367.064 3.556 0 40 FHAB Cc1ccc(-c2nc(CN3CCN(c4ccc(O)cc4)CC3)cs2)o1 96524739 CUNMTRPJXBCXFS-UHFFFAOYSA-N 355.463 3.739 0 40 FHAB COC(=O)c1ccc2c(c1)[C@@H]1C[C@@](C)(O2)N(c2ccccc2C)C(=O)N1 101085026 SBQNCLFTPGVBEI-MGPUTAFESA-N 352.390 3.551 0 40 FHAB COc1cccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)c1OC 214051276 YEFWEFJXGVHSTL-LFIBNONCSA-N 355.415 3.940 0 40 FHAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1nc2c(s1)CCCC2 223258682 KGTQMIGLFMUOCW-UHFFFAOYSA-N 372.899 3.875 0 40 FHAB COc1cccc(OC)c1C(=O)NCCOc1ccc(C(C)(C)C)cc1 223435717 HRTFTUDYVQCJPC-UHFFFAOYSA-N 357.450 3.810 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 224172610 WRNLJFZIUCUZDV-OAQYLSRUSA-N 366.505 3.789 0 40 FHAB CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2ccc(C)cc2)c1C 224696813 PGQKFDPKLQUAPH-UHFFFAOYSA-N 361.463 3.695 0 40 FHAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1C 225071171 KRGJHUJIPWZTGT-LJQANCHMSA-N 366.505 3.524 0 40 FHAB COc1ccc(S(=O)(=O)N(C)c2cccc(Cl)c2Cl)cc1F 225114730 QHGDHXVPGSSRBW-UHFFFAOYSA-N 364.225 3.966 0 40 FHAB CCOc1ncc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1C 225873280 JTPBLLSFRBMVCZ-UHFFFAOYSA-N 354.450 3.784 0 40 FHAB O=C(NC[C@](O)(c1ccsc1)c1ccco1)c1ccc(Cl)s1 253472759 PGOWTQNSLIXETN-HNNXBMFYSA-N 353.852 3.722 0 40 FHAB Cc1cc(Nc2ncccn2)nc([C@@H]2CCCCN2Cc2cscn2)n1 257243771 IIMLMYMGMPPCCJ-HNNXBMFYSA-N 367.482 3.502 0 40 FHAB O=C(Nc1ccc2c(c1)CCC2)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 408709015 WJOVBVGHIZXXNG-OAHLLOKOSA-N 354.837 3.820 0 40 FHAB O=S(=O)(c1ccccc1-c1ccccc1)N1CCO[C@@H]2CCCC[C@H]21 509573923 WFCMXKUHGOCKHN-RTBURBONSA-N 357.475 3.686 0 40 FHAB O=C(NCc1cnc(C2CC2)o1)N1CCn2c(cc3c(Cl)cccc32)C1 572576315 STWCEEXXAVLTRI-UHFFFAOYSA-N 370.840 3.886 0 40 FHAB Cc1ccc(CCc2nc(N3CCc4ccccc4C3)ncc2C(=O)O)cc1 585265959 VLYCMQQWFCGLLI-UHFFFAOYSA-N 373.456 3.831 0 40 FHAB O=C(N[C@H](c1cc(F)ccc1F)C(F)F)c1nc2cnccc2s1 622566757 XFTNGEBQFBGWPZ-GFCCVEGCSA-N 355.316 3.706 0 40 FHAB Cc1nc(C)c(CNc2nccc(N[C@H]3CCCO[C@@H]3C(C)C)n2)s1 682392749 ZKRIAAQPUYBQTH-WMLDXEAASA-N 361.515 3.778 0 40 FHAB CC(C)n1nc(Cn2cccc2)c2c1CN(C(=O)[C@]1(C)CC=CCC1)C2 2055718135 ZPYMUPFKBHFJIR-OAQYLSRUSA-N 352.482 3.902 0 40 FHAB Cc1ccc(S(=O)(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 628050 DEFXZRYMUWZJFX-NRFANRHFSA-N 365.454 3.898 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(C2CC2)n1Cc1ccco1 8924696 UMBYXCDUWMIBQL-CZUORRHYSA-N 374.510 3.584 0 40 FHAB CCCn1nccc1NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 78066103 RSROMZMFKRDYKW-UHFFFAOYSA-N 363.343 3.750 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc(O)cc2)o1 1350577 POOYOJMZFKOYKM-GFCCVEGCSA-N 367.430 3.512 0 40 FHAB CC(C)c1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1C 1356053 AQGACECUATYTQL-UHFFFAOYSA-N 358.389 3.688 0 40 FHAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(F)c3)cn2)cc1 1358528 DQRKHNQMCQOUOI-UHFFFAOYSA-N 365.364 3.734 0 40 FHAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[C@@H](C)c1cccnc1 47572577 GDTDTTNKKCGORL-ZDUSSCGKSA-N 368.868 3.957 0 40 FHAB Cc1oncc1C(=O)Nc1ccc(NC(=O)Cc2ccc(F)cc2)cc1 54270403 JDKLYSREUAEPIG-UHFFFAOYSA-N 353.353 3.556 0 40 FHAB CC(C)[C@@H](NC(=O)Nc1cccc(N2CCNC2=O)c1)c1ccccc1 47893464 STVVOCOGLSKFNG-GOSISDBHSA-N 352.438 3.735 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1 4978417 UOPFIWYXBIHPIP-LEWJYISDSA-N 366.486 3.715 0 40 FHAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(OC(F)(F)F)cc1 6248813 VQRKIJMWDKXDPP-UHFFFAOYSA-N 366.339 3.674 0 40 FHAB CCOc1cc(CNCc2ccccn2)cc(Br)c1OC 6870211 GXERABAACGMLBI-UHFFFAOYSA-N 351.244 3.541 0 40 FHAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(C)cc(C)c2)cc1 6880277 MCSRGFSFEUVPOK-UHFFFAOYSA-N 374.506 3.563 0 40 FHAB COc1ccc2c(c1)CCCN2S(=O)(=O)c1cccc2cc(C)cnc12 23371916 ATNDIBMJWNNHAJ-UHFFFAOYSA-N 368.458 3.693 0 40 FHAB Cc1ccc(C(=O)NCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1C 7141169 VQHVTSHYDBMFIH-LXGFQCHUSA-N 368.521 3.754 0 40 FHAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 7639394 WPTSEHNKPGWZRK-MRXNPFEDSA-N 352.434 3.694 0 40 FHAB CC(C)Oc1cccc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)c1 7669101 IWISJTJWFLIDDZ-UHFFFAOYSA-N 351.406 3.796 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@H](C)Nc1ccc(N2CCCC2=O)cc1 12563657 ZZOKEHYYCRAAOO-INIZCTEOSA-N 351.450 3.869 0 40 FHAB CC(=O)c1c(F)cccc1NC1CCN(CC(=O)Nc2ccccc2)CC1 42848492 HCOMTVQACCDNKE-UHFFFAOYSA-N 369.440 3.543 0 40 FHAB O=C(Cc1ccc2c(c1)CCCC2)NCc1ccccc1Cn1cccn1 24624515 KOBZSEKKYKQPTN-UHFFFAOYSA-N 359.473 3.669 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccc(Cl)cc1 12559776 RZLNSFUHAFDDKJ-SFHVURJKSA-N 357.816 3.661 0 40 FHAB CCCCNc1nnc(SCC(=O)Nc2ccc3c(c2)CCC3)s1 8852904 AVYKAQNAIYHXBN-UHFFFAOYSA-N 362.524 3.970 0 40 FHAB COC(=O)[C@]1(C)[C@@H]2[C@H]3[C@@H]4[C@H]1[C@@H]1CCC[C@@H]1[C@H]4[C@@]1(C)C(=O)[C@@H]4CC[C@@H]2[C@H]4[C@@H]31 104294844 LNDZSDRDRJRABD-URCJAXOQSA-N 354.490 3.565 0 40 FHAB Cc1nc2cc(NC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)ccc2o1 25358551 TVDUUDNTXPMSGF-GOSISDBHSA-N 365.389 3.506 0 40 FHAB Cc1nc(C)c([C@@H](C)NC(=O)/C=C/c2c(Cl)nc3ccccn23)s1 56021084 NSJJGDRDQXQWCU-WSKFYRRCSA-N 360.870 3.952 0 40 FHAB CCNc1nn(-c2ccc(OC)cc2)c2c1C(=O)C[C@H](c1ccco1)C2 9936394 GQSPNIMLVHZKLH-CYBMUJFWSA-N 351.406 3.818 0 40 FHAB C[C@H](NC(=O)Nc1ccccc1N1CCN(C)CC1)c1ccc(F)cc1F 43800744 LLHLKPDOQANCTG-AWEZNQCLSA-N 374.435 3.599 0 40 FHAB CCOC(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1Cc1ccco1 57265880 AYKWVWSIEQQDMN-ZDUSSCGKSA-N 357.435 3.630 0 40 FHAB CN(CC(=O)N[C@H]1CCCc2ccccc21)Cc1nc2ccccc2s1 57312644 JMOITGDFUADDFM-KRWDZBQOSA-N 365.502 3.922 0 40 FHAB Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCN(c2ccccn2)CC1 10134558 YMRIHSVQZXWCQT-UHFFFAOYSA-N 366.852 3.554 0 40 FHAB C[C@H](CNC(=O)CSc1nccn1C1CC1)c1nc2ccccc2s1 58185152 OKSIGQGIYDPGFJ-GFCCVEGCSA-N 372.519 3.840 0 40 FHAB Cc1cc(=O)oc2cc(OCC(=O)N(c3ccccc3)C(C)C)ccc12 3308436 LDCSVCISFWTNGP-UHFFFAOYSA-N 351.402 3.922 0 40 FHAB CC[C@@H](C(=O)N1CCC(NC(=O)C[C@@H](C)C2CC2)CC1)c1ccccc1 58357235 IEMLVULFBLKGTP-OXQOHEQNSA-N 356.510 3.724 0 40 FHAB Cc1ccc(-c2nc(CCNC(=O)[C@]3(C)CC3(Cl)Cl)co2)cc1 58418834 JDNNEJRBKBEEJX-INIZCTEOSA-N 353.249 3.893 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccccc1Br 3332464 ZBDZUKMKTKADNZ-UHFFFAOYSA-N 363.211 3.668 0 40 FHAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(F)c(Cl)c1 21596256 IIFCBLSOEIHKMO-UHFFFAOYSA-N 352.818 3.923 0 40 FHAB COc1ccccc1[C@H]1[C@H](C(=O)N(C)C)CCC(=O)N1c1ccc(C)cc1 28619451 QVNZTUWCQSKQDI-NQIIRXRSSA-N 366.461 3.576 0 40 FHAB O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cc(=O)[nH]c2ccccc12 11003637 VZGUDOYHZKNADU-UHFFFAOYSA-N 370.792 3.595 0 40 FHAB COc1cc(-c2nn3c(C4CCCCC4)nnc3s2)cc(OC)c1OC 2404155 PPCZTEJETAEAMX-UHFFFAOYSA-N 374.466 3.926 0 40 FHAB CCCC[C@@]12Oc3c(OC)ccc4c3[C@]13CCN(C)[C@H](C4)C3=CC=C2OC 100393621 VIVDQLUAHPGFOS-ZQMYSKGWSA-N 367.489 3.985 0 40 FHAB biogenic,in-vitro CN(Cc1ccccc1)[C@H](NC(=O)c1ccccc1)C(=O)c1ccccc1 54061429 FLVKFINQSHTXQN-QFIPXVFZSA-N 358.441 3.757 0 40 FHAB Clc1ccc(-n2cc(-c3nnnn3-c3ccc(Cl)cc3)cn2)cc1 2573034 ZZYUKFAILCOTOM-UHFFFAOYSA-N 357.204 3.822 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)cc1 11916777 URBKSXYAFHCRRF-UHFFFAOYSA-N 353.353 4.000 0 40 FHAB CCCOc1ccccc1NC(=O)CCN1C(=O)CSc2ccccc21 12975183 TVVYSOBRVNCSCB-UHFFFAOYSA-N 370.474 3.943 0 40 FHAB Cc1sc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)nc1-c1ccccc1 12933828 DURKHYZPSMQUTM-MRXNPFEDSA-N 364.426 3.839 0 40 FHAB C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)n1cnc2ccccc2c1=O 5245520 BWKFDTROHYUGNE-JTQLQIEISA-N 362.216 3.903 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cc(OC)ccc2Br)c1 6395888 QEIWGIXMBBYJLE-UHFFFAOYSA-N 366.211 3.727 0 40 FHAB O=C(CCC(=O)OCC(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1 4543980 OTRYUEDKTMKILQ-UHFFFAOYSA-N 363.772 3.624 0 40 FHAB CC(C)c1ccc(C(=O)CSc2nnc(-c3cccnc3)n2C)cc1 9314768 PRMNCMBSZJKVEM-UHFFFAOYSA-N 352.463 3.976 0 40 FHAB CCSc1nnc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)s1 6789287 MIWYCPSRYBCTQT-UHFFFAOYSA-N 371.871 3.717 0 40 FHAB COc1ccc(OC)c(NC(=O)Nc2cnn(Cc3ccc(C)cc3)c2)c1 27920005 NAYNOTXXFPLVBU-UHFFFAOYSA-N 366.421 3.901 0 40 FHAB CC[C@H](C)NC(=O)[C@H](C)N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 80027614 OOGJIGNGPCFJTA-GJZGRUSLSA-N 355.482 3.569 0 40 FHAB CC(C)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 7129660 YKBVWORPAXLAGR-SNVBAGLBSA-N 351.497 3.540 0 40 FHAB CC(C)C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1 16122126 SFYSIZFXQRPSBJ-UHFFFAOYSA-N 358.463 3.571 0 40 FHAB O=C(Cn1nnc(-c2ccsc2)n1)N(c1ccccc1)C1CCCCC1 8000356 IJQVSVGRXMDKLJ-UHFFFAOYSA-N 367.478 3.768 0 40 FHAB COc1ccc([C@H](CNC(=O)Cc2cccs2)N2CCCCC2)cc1 8131821 XNSCESHYFLWCGQ-IBGZPJMESA-N 358.507 3.643 0 40 FHAB Cc1noc(C)c1CSCC(=O)N1CCc2[nH]c3ccccc3c2C1 69370094 ZGOONJPYWPNBAZ-UHFFFAOYSA-N 355.463 3.591 0 40 FHAB CC(=O)NCc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1 8705400 ICPQWCYPLFJUMP-UHFFFAOYSA-N 351.233 3.560 0 40 FHAB C[C@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)N[C@@H]1CCCc2ccccc21 18365870 GCIKEZXAOHSNFU-SWLSCSKDSA-N 368.462 3.739 0 40 FHAB CN(CC(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C)C(=O)c1ccco1 95444010 YYOVDNCBKVUOGF-UHFFFAOYSA-N 354.450 3.949 0 40 FHAB O=C(O)c1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1 98087010 SLWVQIFNCFKEOE-DHDCSXOGSA-N 357.362 3.760 0 40 FHAB COc1ccc(CC(=O)OCc2coc(-c3ccccc3)n2)cc1OC 24280186 OKFAGHBMVWJQSJ-UHFFFAOYSA-N 353.374 3.645 0 40 FHAB C[C@H]1CC(=O)CC[C@@H]1C(=O)OCc1nc2cc(C(F)(F)F)ccc2o1 95976516 BDIQRNZZHSVEKS-CABZTGNLSA-N 355.312 3.895 0 40 FHAB COc1cc(C=O)ccc1OCC(=O)Nc1nc(-c2ccccc2)cs1 20393372 SYRWOWNLIMTRNR-UHFFFAOYSA-N 368.414 3.649 0 40 FHAB Cc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)cc1C 60775004 KHPHEXSPEAIKEV-UHFFFAOYSA-N 351.233 3.865 0 40 FHAB COc1ccc(-c2cnc3n2C[C@@H]2CN(Cc4ccsc4)C[C@H]2C3)cc1 306138484 RYSZQEBCAVUKDB-MSOLQXFVSA-N 365.502 3.925 0 40 FHAB Cc1cc(NC(=O)N=c2[nH][nH]cc2C(C)C)cnc1N1CCCC[C@@H]1C 520977643 NYKASMPZVVQWPZ-AWEZNQCLSA-N 356.474 3.681 0 40 FHAB O=C(C[C@@H](c1ccsc1)n1cccc1)NCCc1nc2ccccc2[nH]1 524732752 ZJGGCIWXMQZRQS-SFHVURJKSA-N 364.474 3.764 0 40 FHAB COc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 39761844 DDAHUIAQZZRDFY-INIZCTEOSA-N 370.468 3.924 0 40 FHAB CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cccs1 71980444 WWTVKPNKYBVXQD-YNAXMUEKSA-N 351.468 3.606 0 40 FHAB CCc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2ccccc2Cl)cc1 32929759 AEBRIJTVRDTSAH-ZDUSSCGKSA-N 365.882 3.844 0 40 FHAB CCOc1c(C)cc(S(=O)(=O)N[C@H](C)Cc2cccs2)cc1C 38566038 WUAUKDHTLUGQMJ-CQSZACIVSA-N 353.509 3.673 0 40 FHAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1Cc1cccc2cccnc12 72336921 WZCOXEAZTMZUBI-MJGOQNOKSA-N 355.445 3.848 0 40 FHAB Cc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)c3c[nH]nc3C)C2)c1 72359005 FOJNKSHLUQRBNS-QGZVFWFLSA-N 361.449 3.503 0 40 FHAB Cc1cccc(OCCNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1 225122571 FYBZWRMMUYQMOS-QGZVFWFLSA-N 353.462 3.836 0 40 FHAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 222521244 OEJZURXBZKEMJU-MRXNPFEDSA-N 372.896 3.663 0 40 FHAB CCc1ccc(O[C@@H](CC)C(=O)NCc2nc(-c3cccs3)no2)cc1 222901844 OMFUTCLJHAIUGD-HNNXBMFYSA-N 371.462 3.834 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=O)CCc2ccc3c(c2)OCCO3)c1 222643082 HBSAMKGBKBEDFG-UHFFFAOYSA-N 369.417 3.514 0 40 FHAB CC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1 224624579 VPAIZYINXNRHJB-AWEZNQCLSA-N 352.434 3.930 0 40 FHAB O=S(=O)(NCc1ccnc(-c2ccco2)c1)c1ccc(F)c(Cl)c1 225658553 PTBBFEQORHZZMN-UHFFFAOYSA-N 366.801 3.613 0 40 FHAB O=C(Cc1ccccc1Cl)NCc1nc(-c2cccc(Cl)c2)no1 225443207 SWRICWTUKPUMKB-UHFFFAOYSA-N 362.216 3.902 0 40 FHAB CC(C)Oc1ccc(CCCNC(=O)c2ccc3c(c2)OCCO3)cc1 225401889 VNTIBBXXOUHCJH-UHFFFAOYSA-N 355.434 3.608 0 40 FHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(F)(F)F)cc2)cc1C 224653639 FOTTYCKGRAUTTG-UHFFFAOYSA-N 359.369 3.848 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(CN3CCCC3)cc2)c1 223198299 VXHUOLNTCZFXJG-MRXNPFEDSA-N 368.477 3.791 0 40 FHAB CCCO[C@@](C)(C(=O)Nc1ccc(OCCOC)c(Cl)c1)C1CC1 225674821 CBCWRFIKPRGDLE-GOSISDBHSA-N 355.862 3.899 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=O)C2(c3ccccc3)CCOCC2)c1 192517615 KRZQDRPMWVTEMO-UHFFFAOYSA-N 373.836 3.814 0 40 FHAB CCOC(=O)c1cccc(NC(=S)NCCc2ccc(OC)cc2)c1C 225315525 FJAILTNXZIZYCC-UHFFFAOYSA-N 372.490 3.709 0 40 FHAB CN(C)C(=O)C[C@H]1CC2(CCN(Cc3ccoc3)CC2)Oc2ccccc21 96053146 XVQCVGXTRCBQSH-SFHVURJKSA-N 368.477 3.659 0 40 FHAB Cc1ccc(CN2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)o1 96040235 CVVMBBBQWHFGPD-LEWJYISDSA-N 356.466 3.571 0 40 FHAB CC(C)(C)CC(=O)N1CC[C@@]2(COCc3cnc(-c4ccccc4)nc32)C1 96244385 VVYKNAAHNHZBIS-QFIPXVFZSA-N 365.477 3.580 0 40 FHAB Cc1ncc(CNC(C)C)c2cc(C(=O)c3ccc4c(c3)OCCO4)oc12 95472712 VJMQKTSHWSQPDN-UHFFFAOYSA-N 366.417 3.636 0 40 FHAB COc1cccc(Cc2cnc([C@@H]3CCN(C(=O)c4ccccc4)C3)o2)c1 257215129 COVOSWPIFZBPBZ-GOSISDBHSA-N 362.429 3.904 0 40 FHAB Cc1cc(N2C[C@H](C(=O)N(C)Cc3ccccc3Cl)CC2=O)ccc1F 1124160191 AJNOKTOUJQIYFV-OAHLLOKOSA-N 374.843 3.799 0 40 FHAB Cc1ccc([C@H](C)CNC(=O)N[C@@H]2CCO[C@@H](c3ccncc3)C2)cc1 653147668 CPXBFQSZGYMMLN-NSISKUIASA-N 353.466 3.713 0 40 FHAB CC(=O)N[C@@H](Cc1nc(-c2ccc(C(F)F)nc2)no1)c1cccs1 664958568 BLVYCQXTFVHOPY-LBPRGKRZSA-N 364.377 3.551 0 40 FHAB CC(C)COCCCNC(=O)N[C@H](C)c1ccc(Br)cc1 26265589 YWJFOKPBFROQMS-CYBMUJFWSA-N 357.292 3.872 0 40 FHAB Cc1cnc(CCNC(=O)Nc2ccc(F)cc2-c2cnn(C)c2)c(C)c1 585090913 ZVIJTYHXAKJRLC-UHFFFAOYSA-N 367.428 3.602 0 40 FHAB CCOC(=O)c1cc2coccc-2c1N1CCN(C(=O)OC(C)(C)C)CC1 675082738 AUHTVRABWYZQCH-UHFFFAOYSA-N 374.437 3.618 0 40 FHAB CCN1CC[C@H](N(C)C(=O)Nc2ccccc2OCC(F)(F)F)[C@H](C)C1 89977173 WRXZJVQSVRWRSR-HIFRSBDPSA-N 373.419 3.822 0 40 FHAB Cc1ccsc1CN1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 1615119503 HDJZBICMRBWPLG-NRFANRHFSA-N 370.518 3.845 0 40 FHAB CC(C)C[C@H](NC(=O)CCn1c(=O)oc2ccccc21)c1ccccc1 18706247 OUECVFVJMFLARJ-KRWDZBQOSA-N 352.434 3.888 0 40 FHAB Cc1ccc(C(=O)N2CCCC[C@@H]2CCN2CCCC2)cc1-n1cccn1 19214748 BVFGXZZURKWEAL-HXUWFJFHSA-N 366.509 3.661 0 40 FHAB Cn1ccnc1-c1nc(NC[C@@H]2CCCOC2)ncc1-c1cccc(F)c1 19291624 NFOCXSAXMPBWFK-AWEZNQCLSA-N 367.428 3.522 0 40 FHAB Cc1ccc(-n2c(S[C@H]3CCCCC3=O)nnc2N2CCCC2)cc1 19487966 IOYCSPXPTUFODM-KRWDZBQOSA-N 356.495 3.780 0 40 FHAB COc1ccc([C@@H]2CN(Cc3ccccc3F)C[C@H]2c2cc[nH]n2)cc1 19557232 AAZWNJPWIMCQEI-RBUKOAKNSA-N 351.425 3.941 0 40 FHAB Cc1cc(C)cc(C2(CNC(=O)c3cc(C(C)C)on3)CCOCC2)c1 19569581 IQISIDDOIUHFGV-UHFFFAOYSA-N 356.466 3.893 0 40 FHAB Cc1cc(C)n(CCCC(=O)N[C@@H](Cc2cccs2)c2nccs2)n1 19574143 ITKVLOYKHHXIGR-INIZCTEOSA-N 374.535 3.898 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3cccc(Cn4cccn4)c3)on2)cc1 19718909 ZAZKMIDLGSUPIK-UHFFFAOYSA-N 374.400 3.847 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1nnc(-c2ccccc2OC)o1 19927226 ILNMEYHQLBDKHJ-UHFFFAOYSA-N 359.769 3.660 0 40 FHAB O=C(NCCO)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 2568879 BDJXKXHJXZRSMO-UHFFFAOYSA-N 369.424 3.686 0 40 FHAB in-vitro O=C(O)c1ccc(-c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)o1 226352861 KSGWZFMKCVMJLW-UHFFFAOYSA-N 361.350 3.585 0 40 FHAB CN(CCCNC(=O)Nc1nc2ccccc2s1)C(=O)OC(C)(C)C 36392983 BXUMCETWANFSLT-UHFFFAOYSA-N 364.471 3.675 0 40 FHAB Cc1cccc2sc(NC(=O)[C@@H]3CCCN3C(=O)c3cccs3)nc12 3534443 HYELZJFTXCIJMD-LBPRGKRZSA-N 371.487 3.910 0 40 FHAB C[C@@H](CCc1ccc(O)cc1)NC(=O)N[C@@H](C)CCc1ccc(O)cc1 23053490 UHSUBFDATNOSEW-HOTGVXAUSA-N 356.466 3.739 0 40 FHAB COc1ccccc1C(=O)Nc1nnc(-c2ccc(Br)cc2)o1 5169730 XMAOUBCCHQDJOD-UHFFFAOYSA-N 374.194 3.760 0 40 FHAB O=C(NCCn1cc(-c2ccoc2)cn1)Nc1cccc(C(F)(F)F)c1 575614683 AXQRZXNRGBFEEL-UHFFFAOYSA-N 364.327 3.984 0 40 FHAB COc1cc(CNC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc(Cl)c1OC 101211207 AYYXBVRJQWCQQG-CXTCDGGRSA-N 351.874 3.531 0 40 FHAB CC(C)CC(=O)Nc1ccc(NC(=O)c2cnn(C)c2C(F)(F)F)cc1 32932295 GINZLBFRCIDGPN-UHFFFAOYSA-N 368.359 3.676 0 40 FHAB CCCn1c(-c2cccc(C)c2)nnc1S(=O)(=O)Cc1ccc(C)cc1 76926193 XLDSSBLNESFTBD-UHFFFAOYSA-N 369.490 3.946 0 40 FHAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2cccc(O)c2)o1 976134 RHJZARIKWKIQIU-GFCCVEGCSA-N 355.419 3.870 0 40 FHAB CCc1ccc([C@@H](CNC(=O)[C@H]2Cc3ccccc3S2)N(C)C)cc1 22684703 VKIVSIXNVWEPDR-UYAOXDASSA-N 354.519 3.685 0 40 FHAB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@H]2CC[C@H](C)[C@@H](C)C2)cc1 4066271 IECONGJAZOYYLQ-FDGVUDDNSA-N 372.465 3.691 0 40 FHAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3ccco3)C(=O)[C@H]12 840487 ZDDKSSYMZSIYSA-ISQHLFTMSA-N 369.420 3.846 0 40 FHAB O=C(/C=C/c1ccccc1Cl)N1CCC(C(=O)N2CCCCCC2)CC1 6987329 OXEPPYFTFFBKRM-MDZDMXLPSA-N 374.912 3.994 0 40 FHAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)c(C(=O)O)c1 47318141 KLQXSJSVEPWAFK-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB CN(CCNC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)Cc1ccccc1 54761773 MWSPFSWORZCJRX-HOTGVXAUSA-N 357.420 3.539 0 40 FHAB COc1cccc(OCCc2nnc(NC(=O)C3[C@@H]4CCCC[C@@H]34)s2)c1 100772946 LQILKOKJXSEELU-HUUCEWRRSA-N 373.478 3.543 0 40 FHAB O=C(Nc1nc(CN2CCCC2)cs1)c1cc2ccccc2cc1O 24987304 MLYANVFWWBHSCQ-UHFFFAOYSA-N 353.447 3.850 0 40 FHAB CCOc1ccc(N2C[C@](O)(c3ccccc3C)[N+]3=C2CCCC3)cc1 26441486 WVHGBNZUNVCUKH-QFIPXVFZSA-N 351.470 3.654 0 40 FHAB CC(C)(C)SCCNC(=O)C1CCN(Cc2ccccc2F)CC1 9063493 FAWAUJJXZPRWIZ-UHFFFAOYSA-N 352.519 3.686 0 40 FHAB Cc1nc(C)c([C@@H](C)NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)s1 56023311 ZPSVDLQRYILCNR-LLVKDONJSA-N 369.494 3.718 0 40 FHAB COc1ccc2c(Cl)c(C(=O)OCC(=O)NC3CC3)sc2c1Cl 3222498 YFQHMBPSSVWPEA-UHFFFAOYSA-N 374.245 3.652 0 40 FHAB C[C@H](OC(=O)CCc1ccco1)C(=O)Nc1ccc(N2CCCCC2)cc1 12644832 UAJDCJLRBOLVJW-INIZCTEOSA-N 370.449 3.773 0 40 FHAB Cc1cc(=O)oc2cc(NC(=O)CCc3ccc(N(C)C)cc3)ccc12 57722328 ZRABHQGKRDIXRK-UHFFFAOYSA-N 350.418 3.739 0 40 FHAB Cc1ccc2oc(-c3ccccc3)c/c(=N\[C@H](CCC(=O)O)C(=O)O)c2c1 1916614 KKULUXXWNPSKNG-VBUUPXLYSA-N 365.385 3.627 0 40 FHAB Cc1nc([C@@H](NC(=O)c2cccc(Cl)c2Cl)c2ccccc2)n[nH]1 57889922 KKVKUKSNTRDIRT-HNNXBMFYSA-N 361.232 3.939 0 40 FHAB COc1ccc(NC(=O)N(C[C@@H]2CCOC2)C2CC2)c(C(F)(F)F)c1 48289705 VKQHXHFIDIBESD-NSHDSACASA-N 358.360 3.747 0 40 FHAB CCNC(=O)c1cccc(NC(=O)c2ccc(Oc3cccnc3)cc2)c1 58159824 CDSACJJSNLHRSS-UHFFFAOYSA-N 361.401 3.876 0 40 FHAB CCOC(=O)Nc1cccc(NCC(=O)Nc2cc(F)ccc2F)c1C 58162227 XOXVJIMRACGUGA-UHFFFAOYSA-N 363.364 3.892 0 40 FHAB O=C(NCc1ccccc1Cn1cccn1)c1ccc(Br)cc1 10234885 RAKOBJPBVSHNLC-UHFFFAOYSA-N 370.250 3.624 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)COc3ccc(C(C)C)cc3)ccc21 12746962 QNIFFMBIMMMTIM-UHFFFAOYSA-N 352.434 3.737 0 40 FHAB C[C@H](Sc1ncc(-c2ccccc2)o1)C(=O)Nc1sccc1C(N)=O 58210868 WGZGDNPRASZLCA-JTQLQIEISA-N 373.459 3.621 0 40 FHAB CC(=O)Nc1cc(NC(=O)Nc2cccnc2N2CCCC2)ccc1Cl 58415558 VIYGMHMEJCALEL-UHFFFAOYSA-N 373.844 3.938 0 40 FHAB N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1cccc2ccccc12 28911689 OBSJICAXUURHOU-SFQUDFHCSA-N 372.380 3.849 0 40 FHAB Cc1cccc(-n2nnnc2S[C@H](C)C(=O)c2ccc(C)c(C)c2)c1 28699114 HEWVANXIDMRCAC-OAHLLOKOSA-N 352.463 3.951 0 40 FHAB CN(c1ccc(C(=O)N2CCCCCC2)cc1)S(=O)(=O)c1ccccc1 3331522 BWRQBALTUPPEHN-UHFFFAOYSA-N 372.490 3.528 0 40 FHAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc(N(C)C)nc2)c1 48364511 YIIPCQYBUZUTOP-INIZCTEOSA-N 355.482 3.663 0 40 FHAB Cc1ccc(C(=O)NCc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)s1 48344699 OVZXKIHXNOFDIT-GJZGRUSLSA-N 358.507 3.596 0 40 FHAB Cc1ccc(Oc2ccc(NC(=O)[C@@]34CCC(=O)N3CCS4)cc2)cc1 12808920 JXCKOYNUNDURTK-FQEVSTJZSA-N 368.458 3.791 0 40 FHAB CCOC(=O)[C@@H]1CCCN(Cc2c(-c3ccccc3)nc3ccccn23)C1 29118225 KBJJIUNPHBSADN-GOSISDBHSA-N 363.461 3.776 0 40 FHAB CC(C)N(C)Cc1ccc(CNC(=O)c2ccc3c(c2)OCCCO3)cc1 59987172 IICHVEGFBBLUPI-UHFFFAOYSA-N 368.477 3.618 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C(C)=O)s2)cc1OC 12852832 CUBCRDZUCZUJCV-AWEZNQCLSA-N 359.447 3.945 0 40 FHAB O=C(COC(=O)c1ccccc1Br)Nc1cc(F)ccc1F 3506791 VPPXVVZJFIVOFW-UHFFFAOYSA-N 370.149 3.523 0 40 FHAB COc1ccc(CNC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 12998693 QWDFKKHAVLMECM-UHFFFAOYSA-N 366.442 3.939 0 40 FHAB Cc1ccc(N(C)C(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)nn1 72300890 UGIVINKQIVNXFH-UHFFFAOYSA-N 360.417 3.622 0 40 FHAB O=C(CN1CCCC1)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 4165332 SHWJUNVMCDIWBP-KRWDZBQOSA-N 357.454 3.661 0 40 FHAB Cc1ccc(Nc2nc(N3CCC(C)CC3)nc3c2cnn3C)c(C)c1 4272745 NJNYIVDYKXPRSD-UHFFFAOYSA-N 350.470 3.960 0 40 FHAB CCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccccc1OC 13779336 SDLHOEGNUYQDKW-UHFFFAOYSA-N 364.445 3.898 0 40 FHAB FC(F)(F)c1nnc2ccc(Sc3nnc(C4CCCCC4)o3)nn12 14259271 SIOBKVXPNWTLTA-UHFFFAOYSA-N 370.360 3.725 0 40 FHAB COc1ccc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)c(OC)c1 5409148 CEGPMJCLLLKKHZ-UHFFFAOYSA-N 357.435 3.619 0 40 FHAB CCN(CC)Cc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)o1 5688974 HUWLOINHUFTGDW-UHFFFAOYSA-N 369.509 3.701 0 40 FHAB Cc1ccc2c(CSc3nnnn3-c3ccccc3)cc(=O)oc2c1C 5652121 PLRTXPDWXZMVIN-UHFFFAOYSA-N 364.430 3.678 0 40 FHAB COC(=O)N(C)c1ccc(N[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1 66392504 BRNBMLMXIYXPNM-CABCVRRESA-N 367.449 3.667 0 40 FHAB CCOc1ccc(C(=O)OCC(=O)Nc2cccc(C)c2C)cc1OCC 5739662 WNNBRXOPQRRJJZ-UHFFFAOYSA-N 371.433 3.896 0 40 FHAB CCN(C(=O)COC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 72330048 AVNZTGMWEOAMDX-UHFFFAOYSA-N 351.324 3.915 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCCCC3)cc2)cc1 4879050 BQTIZJDFXUWWMJ-UHFFFAOYSA-N 372.490 3.812 0 40 FHAB CCCn1nc(C(=O)OCc2cccc(Cl)c2)c2ccccc2c1=O 9455097 XXMZOQHYBJXGSH-UHFFFAOYSA-N 356.809 3.817 0 40 FHAB O=C(Nc1ccc(Br)c(Cl)c1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 4954796 WQBDPEPULFNCMM-HTEOGMQZSA-N 370.630 3.564 0 40 FHAB Cc1ccc(C)c(-n2nnnc2SCc2cn3cccc(C)c3n2)c1 7049543 RXUOSIKQPCNFHU-UHFFFAOYSA-N 350.451 3.528 0 40 FHAB Cc1ccc([C@H](CNC(=O)COc2ccccc2Cl)N2CCCC2)o1 15860242 RKZTYTZACDYRHG-INIZCTEOSA-N 362.857 3.574 0 40 FHAB C[C@H](NC(=O)c1cc(F)c(F)c(F)c1F)c1ccc(-n2ccnc2)cc1 15940968 VAZWTRSVWFOPEK-JTQLQIEISA-N 363.314 3.920 0 40 FHAB C[C@H]1C[C@@H]1C(=O)N1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1 68272195 IMIWIKCSHURIDQ-GUYCJALGSA-N 354.416 3.784 0 40 FHAB CC(C)Cc1ccc([C@@H](C)c2nn3c(-c4cnccn4)nnc3s2)cc1 9575825 WYHTUUHHRIYTHP-CYBMUJFWSA-N 364.478 3.993 0 40 FHAB Cc1ccc(F)cc1NC(=O)CSCC(=O)N(C)C1CCCCC1 7970721 JFAYKMCURGSKGK-UHFFFAOYSA-N 352.475 3.597 0 40 FHAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)Cc1csc(C(C)(C)C)n1 81612487 PVTKYPRIKHNIGM-CQSZACIVSA-N 357.523 3.850 0 40 FHAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(F)c1 8274780 RNRRKTVJPCAWMZ-UHFFFAOYSA-N 358.457 3.877 0 40 FHAB COc1ccccc1CNC(=O)c1ccccc1OCc1csc(C)n1 8277392 VKBKNEXRMLSSCH-UHFFFAOYSA-N 368.458 3.969 0 40 FHAB C[C@@H](NC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(F)c(F)c1 8394910 CXCCWOCXMPTTEX-CYBMUJFWSA-N 363.383 3.697 0 40 FHAB C[C@@H](Sc1nc2sccc2c(=O)[nH]1)C(=O)Nc1ccc(Cl)cc1 8456773 WVRHOQVYCXAWGQ-MRVPVSSYSA-N 365.867 3.757 0 40 FHAB O=C(COc1cccc(F)c1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 8770781 VHZKRSXDAIEKAF-UHFFFAOYSA-N 371.408 3.905 0 40 FHAB CC[C@@H](C[C@@H](C)CO)NC(=O)CCCOc1ccccc1Br 95443440 WSBPBKPSJVYFQQ-KGLIPLIRSA-N 372.303 3.521 0 40 FHAB COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(Cl)cc1 85413198 QZPOPJBODCSBFP-YOEHRIQHSA-N 356.761 3.512 0 40 FHAB COc1ccc(C)cc1NC(=O)CSc1nncc(-c2cccs2)n1 9994329 OPDZKUCEYRUNQM-UHFFFAOYSA-N 372.475 3.648 0 40 FHAB COc1cccc(-c2ccnc3nc(N4CCc5ccccc54)[nH]c(=O)c23)c1 22606824 VGSGSXQLJDDHLP-UHFFFAOYSA-N 370.412 3.688 0 40 FHAB COc1ccc2c(c1)OC1(CCN(C(=O)Nc3ccccc3)CC1)CC2=O 170550505 SOWOJRSOZQVZRA-UHFFFAOYSA-N 366.417 3.727 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1 408736819 IKVMSSJXJCZYIV-QGZVFWFLSA-N 366.417 3.570 0 40 FHAB Nc1c(Br)cc(Br)cc1[C@H](O)c1ccccc1 3844649 BUXVZCBXSNAASC-CYBMUJFWSA-N 357.045 3.876 0 40 FHAB biogenic CC(C)(NC(=O)Nc1nc2c(s1)COCC2)c1nc2ccccc2s1 528986027 NJHZYBVMGDJPCP-UHFFFAOYSA-N 374.491 3.882 0 40 FHAB Cc1ccc2c(c1)ncn2C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 35315870 CZYCDEWKJRAKCV-UHFFFAOYSA-N 373.453 3.510 0 40 FHAB CCCNC(=O)COc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1 32579041 FDESCJPQGWBDCB-UHFFFAOYSA-N 351.406 3.617 0 40 FHAB CC(C)Sc1ccc(CC(=O)N2CCC(Cn3ccnc3)CC2)cc1 62128698 HQKQSGCLDOHECE-UHFFFAOYSA-N 357.523 3.865 0 40 FHAB CCOc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccc(Cl)cc2Cl)cc1 72228108 XNTCZJARRKATKW-HZPDHXFCSA-N 351.233 3.807 0 40 FHAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)[C@@H](C)Oc1ccc(F)cc1 37208893 SKTRPYDXVRDXOK-JJXUHFIVSA-N 368.452 3.736 0 40 FHAB C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)/C=C/c1cccc(Cl)c1 40069778 AQSMSCQPVQUJCK-VZKSOPFLSA-N 354.837 3.748 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)COc1ccc(OC)cc1 44904967 BSFZKQBWIHKVKI-LIRRHRJNSA-N 361.413 3.575 0 40 FHAB CN1CCN(C(=O)Nc2cccc(OC(F)F)c2)[C@@H](c2ccccc2)C1 40120514 MJZFLQYQCTVTNB-QGZVFWFLSA-N 361.392 3.809 0 40 FHAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1 223515542 VAGISLOSRBZVKL-IBGZPJMESA-N 366.505 3.605 0 40 FHAB COc1cccc(-c2noc(CNC(=S)Nc3cccc(C)c3)n2)c1 225821659 PBWJDHYCHVXVQP-UHFFFAOYSA-N 354.435 3.540 0 40 FHAB CC[C@@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc(OC)c(C)c1 224633484 RHDKVRHIRJCTSV-HXUWFJFHSA-N 368.477 3.721 0 40 FHAB CC[C@H](C)Oc1ccc(NC(=O)C(C)(C)Br)cc1C(=O)OC 225786225 HHRRSVNESCXOIM-JTQLQIEISA-N 372.259 3.763 0 40 FHAB CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 223270715 KPMHFQLOFLRLJV-UHFFFAOYSA-N 373.261 3.777 0 40 FHAB O=C(CNC(=O)c1cccc(OCc2ccccc2)c1)Nc1ccccc1 40151952 ZBYCRLREHLCPHJ-UHFFFAOYSA-N 360.413 3.634 0 40 FHAB O=C(CNc1ccc(SC(F)F)cc1)NC(=O)Nc1ccccc1F 40162252 GXWGMIGRNBNEAZ-UHFFFAOYSA-N 369.368 3.901 0 40 FHAB CCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C 225745508 LXMLMUNEMZOIND-NRFANRHFSA-N 366.505 3.809 0 40 FHAB CCOC(=O)c1cc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)ccc1OCC 225807893 FKWIXBJRIMFRJB-JLTOFOAXSA-N 363.454 3.796 0 40 FHAB Cc1nc(COC[C@H]2CCOC23CN(Cc2sccc2C)C3)cs1 248015620 HIDOPNYFYURVPL-OAHLLOKOSA-N 364.536 3.629 0 40 FHAB Cc1nccc(C(=O)N2CCC[C@@H](Cc3cccc4cccnc34)CC2)n1 257241993 IAOGPGIHYBBPAQ-QGZVFWFLSA-N 360.461 3.818 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H](Cc2cc(-c3nccs3)ncn2)C1 257238586 HLRNNRDXRQLAPF-ZDUSSCGKSA-N 360.483 3.790 0 40 FHAB COCCC(=O)N1[C@H](c2ccccc2)C[C@@]2(C)[C@@H]1CCCCCN2C(C)=O 257272624 NDDDORVBLSVDJZ-ONTIZHBOSA-N 372.509 3.546 0 40 FHAB Cc1nc(-c2ccnn2C(C)C)cc([C@H]2CCCN2C(=O)C(C)(C)C)n1 257248300 JDAMWIAKFUNZKB-QGZVFWFLSA-N 355.486 3.939 0 40 FHAB O=C1CCc2cc(F)c(NC(=O)N3CCCc4ccccc4C3)cc2N1 592900538 UNBGYBBQISRIBK-UHFFFAOYSA-N 353.397 3.691 0 40 FHAB CN(Cc1ccccc1)[C@H]1CCN(c2nnc(-c3ccccc3)s2)C1 608092631 ABRDULLSLGCHLD-SFHVURJKSA-N 350.491 3.916 0 40 FHAB CC1(C)CC[C@@H]2C[C@@H](NC(=O)c3ccnc4c3CC(=O)N4)c3cccc1c32 613279535 QOCBIRYFICBQOA-SJKOYZFVSA-N 361.445 3.606 0 40 FHAB CC(NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21)(C1CC1)C1CC1 620030274 JCOJXXKIKMCEIF-SFHVURJKSA-N 362.473 3.901 0 40 FHAB Cn1cc(NC[C@@H]2CCCO[C@H]2c2nccn2C)c(C2CCCCC2)n1 657477995 WBQJTXBLOSUABL-QFBILLFUSA-N 357.502 3.781 0 40 FHAB COc1ccc2[nH]c(Nc3cc(N4C[C@@H](C)O[C@H](C)C4)nc(C)n3)cc2c1 1249880959 HLFSZIYEJFHSMF-CHWSQXEVSA-N 367.453 3.632 0 40 FHAB Cc1ncc2n1C[C@@H](C(=O)Nc1cc(-c3ccccc3)nn1C(C)C)CC2 651343599 WKUHHPYLCPQFLH-KRWDZBQOSA-N 363.465 3.837 0 40 FHAB Cc1ncc(-c2cncc(C3CCN(Cc4ccccc4F)CC3)n2)n1C 585182481 PRKZKGBNZYZFGA-UHFFFAOYSA-N 365.456 3.704 0 40 FHAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 55720612 SZUJMLBQMHMFPG-HXPMCKFVSA-N 374.387 3.732 0 40 FHAB CC(C)(C)c1cn2nc(N3CCC(Oc4ccccn4)CC3)sc2n1 75109954 FNWFZPIWPXRRBA-UHFFFAOYSA-N 357.483 3.531 0 40 FHAB CSC1(CNC(=O)c2ccc(Oc3ccccc3)nc2)CCOCC1 76041196 RGZZUZOJWIASBI-UHFFFAOYSA-N 358.463 3.516 0 40 FHAB CC(C)(C)c1csc(-c2cccc(Oc3ccc4nnnn4n3)c2)n1 77230982 PJZHPXFQTQEFTJ-UHFFFAOYSA-N 352.423 3.733 0 40 FHAB CC1(C)C[C@@H]2CN(C(=O)CN3CCCCC3)CC[C@@H]2N1c1ccc(F)cc1 1615155367 HKGVHCDJYVSRCD-XLIONFOSSA-N 373.516 3.517 0 40 FHAB CC1(C)Cc2c(cnn2Cc2ccccc2)[C@@H](NC(=O)c2cscn2)C1 12239248 IQSKKVRCIPKILR-INIZCTEOSA-N 366.490 3.831 0 40 FHAB CCOc1cc(C(=O)NCCc2cccs2)cc(OCC)c1OCC 12763049 IXRPRHCRXVQTCH-UHFFFAOYSA-N 363.479 3.917 0 40 FHAB CCc1noc(CN2CC3(CCCC3)c3cc4c(cc3[C@@H]2C)OCCO4)n1 12913226 CNBKNWQDEONUEX-AWEZNQCLSA-N 369.465 3.792 0 40 FHAB Cc1ccc(NC(=O)N2[C@H]3CC[C@@H]2CC(NC(=O)c2ccccc2)C3)cc1 19210656 MALZZLMIPMJVAV-IHWFROFDSA-N 363.461 3.952 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3cc4ncccc4[nH]3)C2)cc1F 19214516 VXCPYXURRMTGET-CQSZACIVSA-N 373.453 3.579 0 40 FHAB Cc1cccc(N2CCN(C[C@@H](O)c3c[nH]c4ccc(F)cc34)CC2)c1C 19235637 BFSZDOZSQYHCMP-JOCHJYFZSA-N 367.468 3.779 0 40 FHAB Cc1csc2c([C@H]3CCN(C(=O)COc4ccccc4F)C3)nc(C)n12 19240489 RDPMAHRNENIMBA-AWEZNQCLSA-N 373.453 3.547 0 40 FHAB CC(C)c1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4cc3N)C2)no1 19452692 MXNCMFXMMNAKEM-OAHLLOKOSA-N 364.449 3.948 0 40 FHAB CCN1CCC[C@@H]1CN(Cc1ccccn1)Cc1c(C)nn(C(C)C)c1C 19527149 BBBMHGMCHNMNIY-OAQYLSRUSA-N 369.557 3.962 0 40 FHAB CN(Cc1ccc2c(c1)CC(C)(C)O2)Cc1ccccc1N1CCOCC1 19716015 QWCZQJITDINILV-UHFFFAOYSA-N 366.505 3.869 0 40 FHAB COc1cccc2cc(C(=O)Nc3ccccc3C(=O)NC(C)C)oc12 19887865 AFCFHUUHDQMDGB-UHFFFAOYSA-N 352.390 3.832 0 40 FHAB CC[C@@H](C(=O)NCC1CCN(C2CCSCC2)CC1)c1ccccc1 252572608 ZMOFMUCVSCEMKM-HXUWFJFHSA-N 360.567 3.904 0 40 FHAB CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](Oc3ncc(F)cn3)C2)cc1 575612250 KJIYCABXHISTMB-QGZVFWFLSA-N 357.429 3.597 0 40 FHAB Cc1nn(-c2ccccc2F)cc1CNc1cccc([C@@H]2CCC(=O)N2)c1 1651224610 SFGYEYYALKPUSW-IBGZPJMESA-N 364.424 3.883 0 40 FHAB O=C(COC(=O)c1cc(F)c(F)cc1Cl)NCc1ccc(Cl)cc1 3235453 OWDMLYKCEKIIJH-UHFFFAOYSA-N 374.170 3.745 0 40 FHAB O=C1c2ccccc2S(=O)(=O)N1Cc1ccccc1Oc1ccccc1 4846578 GCMLMUQCYRQECV-UHFFFAOYSA-N 365.410 3.824 0 40 FHAB CC1=C(C(=O)OCCCc2ccccc2)[C@H](c2ccsc2)NC(=O)N1C 2757746 FDPDAVGMOLOBPK-SFHVURJKSA-N 370.474 3.894 0 40 FHAB COc1ccc2nc(-c3cccc(NC(=O)c4cccc(F)c4)c3)cn2n1 11693381 WHBRUPHZTHLSOC-UHFFFAOYSA-N 362.364 3.796 0 40 FHAB Cn1/c(=N\C(=O)c2cccc(F)c2)sc2cc(Br)ccc21 11617449 YZMJZCSQYYDDDH-OBGWFSINSA-N 365.227 3.883 0 40 FHAB CC(C)(C)NC(=O)N1CCC(CNC(=O)c2cc3ccccc3s2)CC1 225619293 QTBQNLQEWCUNKJ-UHFFFAOYSA-N 373.522 3.851 0 40 FHAB Cn1cc(-c2ccc(CNC(=O)C3(c4cccs4)CCCC3)cn2)cn1 575615216 CNGMITDTIKRHIF-UHFFFAOYSA-N 366.490 3.672 0 40 FHAB Clc1ccc2nc(N3C[C@@H]4CN(c5ccccn5)C[C@@H]4C3)sc2c1 2298100658 RPRHOMPZQAUBKN-BETUJISGSA-N 356.882 3.917 0 40 FHAB CCOC(=O)N1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)ccc1OC 6463586 AIWZZJMVRYIGMV-XKGZKEIXSA-N 363.454 3.528 0 40 FHAB biogenic COc1cc2c(cc1CN[C@@H](c1ccccc1)c1nccn1C)O[C@H](C)C2 30643468 XLPGIVOPMKAQCC-VFNWGFHPSA-N 363.461 3.631 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)Cc2coc(-c3ccccc3)n2)c1 32210009 CWHCJIQHKIFUTC-CQSZACIVSA-N 366.417 3.779 0 40 FHAB Fc1ccc(-c2noc(CCc3nc(-c4ccc(F)cc4)no3)n2)cc1 41097922 PPNGSWVSPOFMNA-UHFFFAOYSA-N 354.316 3.850 0 40 FHAB CCOC(=O)[C@H]1CSCCN1C(=O)c1sc2ccccc2c1Cl 32894242 QVIUMKANGPBINF-LLVKDONJSA-N 369.895 3.675 0 40 FHAB COc1ccc2c(CN3CC=C(c4ccc(O)cc4)CC3)cc(=O)oc2c1 32851106 VGALKSWPYSTUJI-UHFFFAOYSA-N 363.413 3.797 0 40 FHAB O=c1oc2cc(Br)ccc2n1CN(C1CCCC1)C1CC1 32923215 QHMJOKLEEIQVIJ-UHFFFAOYSA-N 351.244 3.722 0 40 FHAB COc1cc([C@@H](C)NC(=O)c2cccc(OC)c2O)ccc1OC(F)F 32915254 ZTPDHGREDODNDB-SNVBAGLBSA-N 367.348 3.502 0 40 FHAB Cc1nn(C)cc1CNC(=O)c1ccccc1COc1ccc(F)cc1F 2787963 LNRUJYOFYDAUKO-UHFFFAOYSA-N 371.387 3.516 0 40 FHAB CN(C)c1ccccc1NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 47486772 QZGVWTXACMZZKF-UHFFFAOYSA-N 370.472 3.678 0 40 FHAB O=c1c2c3c(sc2nc2n1N=C(c1ccccc1)CS2)CCCC3 642547 CYICAWUQOJGGEW-UHFFFAOYSA-N 353.472 3.695 0 40 FHAB CC(C)c1cc(C(=O)NCCN(C(C)C)C(C)C)c2cnn(C(C)C)c2n1 22623218 CWHZIPQFNVIMMK-UHFFFAOYSA-N 373.545 3.984 0 40 FHAB CN1C(=O)[C@@](O)(CC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21 784052 FRADVJQFKMPTFB-HSZRJFAPSA-N 357.409 3.791 0 40 FHAB CCN1CCC[C@H]1CNCc1cccc(NC(=O)c2ccc(OC)cc2)c1 22930499 VUWUVGLXVTUBDU-FQEVSTJZSA-N 367.493 3.521 0 40 FHAB O=S(=O)(Nc1ccc(OC(F)F)c(Cl)c1)c1ccccc1F 6328776 FLLREBSCSCZUSD-UHFFFAOYSA-N 351.733 3.881 0 40 FHAB Nn1c(SCCCC(=O)c2ccc(F)cc2)nnc1-c1ccccc1F 6532898 SXWVSMSAXLNCEF-UHFFFAOYSA-N 374.416 3.692 0 40 FHAB Cc1cc(=O)n2c(n1)NC(Nc1ccc(C(C)C)cc1)=N[C@H]2c1cccnc1 7499368 WRSYQLBVBSPJSW-LJQANCHMSA-N 374.448 3.511 0 40 FHAB C[C@@H](OC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1nnc(-c2cccs2)o1 7780464 NOQQLNMFBUHXIR-FKJOKYEKSA-N 360.435 3.798 0 40 FHAB O=C(OCc1nc(-c2ccsc2)no1)c1cc(Cl)c2c(c1)OCO2 7832503 JRRGLZZCOWBFMP-UHFFFAOYSA-N 364.766 3.537 0 40 FHAB COC(=O)COc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1 948929 UFDGIJZAGWLJHI-UHFFFAOYSA-N 354.358 3.754 0 40 FHAB Cc1nc(CSCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cs1 12579970 RGNRLMHVQRHASA-ZDUSSCGKSA-N 372.519 3.748 0 40 FHAB O=C(CSCC(=O)Nc1ccccc1Cl)Nc1ccc(F)cc1 958759 FFQSJGQEARJKJC-UHFFFAOYSA-N 352.818 3.790 0 40 FHAB CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCC2)cc1 10313906 HAADKRHTGRGZEM-UHFFFAOYSA-N 365.477 3.673 0 40 FHAB C[C@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1ccc(Cl)cc1Cl 23555633 OETGPEIXYKAFIQ-RYUDHWBXSA-N 369.292 3.962 0 40 FHAB COCc1c(C(=O)N(C)CCOc2ccc(OC)cc2)oc2ccccc12 23647657 UUHIXROAUNRYOX-UHFFFAOYSA-N 369.417 3.739 0 40 FHAB COc1cc(CNCCCN(C)C)ccc1OCc1ccc(Cl)cc1 8373856 PDMCFISMQIQCPA-UHFFFAOYSA-N 362.901 3.969 0 40 FHAB Cc1noc(C2CCN(C(=O)C3(c4ccc(F)cc4)CCCC3)CC2)n1 54664365 PTLZSMXXZKLRAF-UHFFFAOYSA-N 357.429 3.735 0 40 FHAB C[C@@H](NC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1cccc(F)c1 24629627 CWESTAWEPHAHKP-SNVBAGLBSA-N 369.223 3.740 0 40 FHAB COc1cc(CN(C)Cc2nc(C)no2)ccc1OCc1ccccc1 24732336 RRPOZIIRJWXZOG-UHFFFAOYSA-N 353.422 3.598 0 40 FHAB CCOC(=O)CCCCCCC(=O)c1ccccc1CN1CCN(C)CC1 43211790 KSDPIWLYIDOADJ-UHFFFAOYSA-N 374.525 3.520 0 40 FHAB Cc1ccc(NC(=O)COc2ccc(C=O)cc2Br)cc1C 9397040 LKELSEFJYHQJRX-UHFFFAOYSA-N 362.223 3.896 0 40 FHAB O=C(COC(=O)/C=C/c1ccco1)Nc1ncc(C(F)(F)F)cc1Cl 3291365 FVHPVRJOGVLGHY-ONEGZZNKSA-N 374.702 3.542 0 40 FHAB Cn1ccnc1[C@H](NC(=O)CCc1ccccc1F)c1ccccc1F 29999666 ISLNKXGSLBWRKW-LJQANCHMSA-N 355.388 3.537 0 40 FHAB O=C(c1ccc(-n2ccnc2)nc1)N(Cc1ccco1)Cc1cccs1 24462983 AXNUFQSLAFQEKT-UHFFFAOYSA-N 364.430 3.764 0 40 FHAB CNc1nc(SCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)nc2ccccc12 12758663 OKOIKNASJQEYFS-YOEHRIQHSA-N 370.522 3.945 0 40 FHAB CC(=O)c1ccc(OCC(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)cc1 12744100 PULMBHQNGGSRBB-UHFFFAOYSA-N 368.433 3.891 0 40 FHAB CC(=O)N1CC[C@@]2(C(=O)Nc3ccc(Oc4ccccc4)cc3)C[C@@H]2C1 101427185 RMGXTMYEAJACAO-IIBYNOLFSA-N 350.418 3.676 0 40 FHAB Fc1ccc(N2CCN([C@@H]3NC=Nc4sc5c(c43)CCCC5)CC2)cc1 26504841 UHBDWFKKEPAREP-IBGZPJMESA-N 370.497 3.850 0 40 FHAB O=C(Nc1cccc2c1OCCO2)C1(c2ccc(Cl)cc2)CCOCC1 57357945 GSKSFDYOSOUAAA-UHFFFAOYSA-N 373.836 3.798 0 40 FHAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(Cl)cn3)o2)cc1 58296782 CAUVCEMZTKXLJB-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB CC(C)(C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Br)cc1 27578929 LNQKBSOTGVYURH-UHFFFAOYSA-N 374.238 3.535 0 40 FHAB O=C(CN1CCC(c2cc3ccccc3[nH]2)CC1)NCc1ccccc1F 58428719 ZRHNCEAUHXEUJD-UHFFFAOYSA-N 365.452 3.803 0 40 FHAB COC[C@@H](C)NC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 12849748 WPQWWPMOOAOLGE-CYBMUJFWSA-N 363.841 3.692 0 40 FHAB Cc1cc(C)n(-c2ccc(CCNC(=O)Cc3ccc(F)cc3)cc2)n1 36394087 HGUNHNYUFVYQDS-UHFFFAOYSA-N 351.425 3.530 0 40 FHAB COc1ccccc1C1=NO[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1 20274783 ZTDLEDSWHRZNSN-MRXNPFEDSA-N 364.323 3.846 0 40 FHAB CC(C)Oc1ccc(C(=O)N(C)Cc2ccccc2N2CCOCC2)cc1 10900567 VPESGJCWMZDPKV-UHFFFAOYSA-N 368.477 3.583 0 40 FHAB Cc1nn(C)c(C)c1CC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 11218337 RNKNQHLRQIKXLU-UHFFFAOYSA-N 358.442 3.789 0 40 FHAB COc1cc(NC(=O)CSc2nc(C)cs2)c(OC)cc1Cl 11578196 ZQQNKBUJXBSTAC-UHFFFAOYSA-N 358.872 3.853 0 40 FHAB Cn1c(Cl)cnc1COC(=O)c1cccnc1Nc1ccccc1F 11647196 FTWCREBCUAZHQX-UHFFFAOYSA-N 360.776 3.708 0 40 FHAB Cc1cc(C)c(C(=O)OCC(=O)N[C@@H](C)CCc2ccccc2)c(C)c1 3440921 ZBQSJPFRVXSEQA-SFHVURJKSA-N 353.462 3.906 0 40 FHAB COc1ccc(C(C)=O)cc1CN1c2cccc3cccc(c23)S1(=O)=O 3575794 YJBQFOIUWPDJOV-UHFFFAOYSA-N 367.426 3.760 0 40 FHAB CCC(=O)Nc1ccc2c(c1)nc(CSc1nccc(C)n1)n2CC 8992801 LNBKHMCWYZCCGB-UHFFFAOYSA-N 355.467 3.795 0 40 FHAB CCCCOc1ccc(C(=O)NCCN(C(C)C)C(C)C)cc1OC 22623098 OEZZXFXSDWYIRF-UHFFFAOYSA-N 350.503 3.723 0 40 FHAB CCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCCC)cc1 4064394 CUVJZAFKXWQYDK-SFHVURJKSA-N 360.454 3.837 0 40 FHAB NC(=O)c1ccnc(NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1 64337564 BYBULQDRRGHIEU-UHFFFAOYSA-N 369.428 3.645 0 40 FHAB Cn1ncc2c1N=C(O)CS[C@H]2c1c[nH]nc1-c1ccc(Cl)cc1 49547437 JMAQLIOWSXIFHX-HNNXBMFYSA-N 359.842 3.888 0 40 FHAB C[C@H](OC(=O)c1ccc2ccccc2c1O)C(=O)N1CCc2ccccc21 5039372 KDETYABXEVMDSS-AWEZNQCLSA-N 361.397 3.680 0 40 FHAB O=C1C[C@H](c2cccc(C(F)(F)F)c2)c2c(c3ccccc3[nH]c2=O)O1 4387109 ZCABUBNIKIYZLH-CYBMUJFWSA-N 359.303 3.988 0 40 FHAB Cc1ccc(OCc2nc(C)c(C(=O)NCCc3ccccn3)s2)cc1 9154405 QVULQYNKOVNDCI-UHFFFAOYSA-N 367.474 3.706 0 40 FHAB O=S(=O)(c1ccccc1Br)N1CCC[C@@H]1c1ccccc1 14101233 ZLBFIQKKJGZTBB-OAHLLOKOSA-N 366.280 3.975 0 40 FHAB Cn1c(SCC(=O)N(Cc2ccco2)C2=CCCCC2)nnc1C1CC1 14110545 CPUBYRZBCZLKJP-UHFFFAOYSA-N 372.494 3.864 0 40 FHAB C[C@@H]1C=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccccc4)c3)C(=O)[C@H]12 4592881 GXYFNJSDPGWKNK-NIKGAXFTSA-N 360.413 3.641 0 40 FHAB Cc1nn(CN(C)Cc2ccc(Br)cc2)c(=S)n1C1CC1 14238731 PWBKEJYLOZQJOX-UHFFFAOYSA-N 367.316 3.909 0 40 FHAB CCOC(=O)c1oc2ccccc2c1Cn1ncc(Cl)c(Cl)c1=O 6602144 HXKQBXJPBWZLRF-UHFFFAOYSA-N 367.188 3.521 0 40 FHAB COc1cc(CC(=O)Nc2ccc(Cl)cc2F)cc(OC)c1OC 6640051 SKUCSQJJAJQXKY-UHFFFAOYSA-N 353.777 3.686 0 40 FHAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@H]1COc2ccccc2O1 9481720 KGVAAARVKOZOTC-GOSISDBHSA-N 353.374 3.507 0 40 FHAB Cc1cc(C)c(NC(=O)CNC(=O)c2ccc3ncsc3c2)c(C)c1 7978863 ZWGIVBHFRTVUIL-UHFFFAOYSA-N 353.447 3.590 0 40 FHAB COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccc2ccccc2c1 8195504 RLLHFHCBTHOUED-UHFFFAOYSA-N 370.430 3.608 0 40 FHAB Cc1cc(C(=O)CSc2nnnn2C2CC2)c(C)n1Cc1cccs1 8232137 COQMTUVVMSAURH-UHFFFAOYSA-N 373.507 3.511 0 40 FHAB CCOc1ccc(C(=O)Cn2cc(-c3ccc(F)cc3)[n+]3c2CCC3)cc1 16976160 JEYHQGHKYHTMSB-UHFFFAOYSA-N 365.428 3.810 0 40 FHAB COc1c(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)ccc(Cl)c1Cl 19942889 WXDBBAQIURVLTJ-NXEZZACHSA-N 352.283 3.669 0 40 FHAB CC(C)CCC[C@@H](C)NC(=O)COC(=O)c1nc(Cl)ccc1Cl 69946854 OGHSZSBRASVRAS-LLVKDONJSA-N 361.269 3.876 0 40 FHAB C[C@@H](NC(=O)N1CCOC[C@@H]1C1CC1)c1nc(-c2ccccc2)cs1 89897059 ROQVKMDKNIEHEM-CXAGYDPISA-N 357.479 3.692 0 40 FHAB CCC(CC)C(=O)Nc1nnc([C@H]2CC(=O)N(c3ccccc3C)C2)s1 20581505 CBASDAXHZLAJMK-AWEZNQCLSA-N 372.494 3.742 0 40 FHAB C[C@H](NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 22540692 YHWCENGRBNEODH-JTQLQIEISA-N 354.303 3.660 0 40 FHAB COc1ccc(C(=O)Nc2cc(C)nn2Cc2ccccc2)c(OC)c1 28240987 NKRLURRUDDYLCM-UHFFFAOYSA-N 351.406 3.509 0 40 FHAB O=C(c1ccccc1)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1 23078538 CYZDYIQTVMERNS-UHFFFAOYSA-N 362.351 3.836 0 40 FHAB O=C(c1ccccc1)c1ccc(OCN2C(=O)c3ccccc3C2=O)cc1 31679484 FTHCKJLEDFPFGW-UHFFFAOYSA-N 357.365 3.550 0 40 FHAB C[C@@H](c1cccs1)N(C)C(=O)/C=C/c1cn(Cc2ccccc2)nn1 33235796 PUZQIRYFVYQIJE-NKSUMMKUSA-N 352.463 3.621 0 40 FHAB COc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1OC 219516745 GBIFANWVSUSIFS-QGZVFWFLSA-N 371.477 3.837 0 40 FHAB Cc1ccc(Cc2nc(C(=O)N[C@H]3CCOC4(CCC4)C3)cs2)cc1 534335393 WASUCLYHKWFHLD-INIZCTEOSA-N 356.491 3.874 0 40 FHAB O=C([C@@H]1Cc2ccc(F)cc21)N1CCOc2c1cccc2C(F)(F)F 1537969290 OYWYVSQSQYBGKO-CYBMUJFWSA-N 351.299 3.910 0 40 FHAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C(C)C)cc2)ccc1C 408610769 VTBMRAWXHZZGFF-UHFFFAOYSA-N 360.479 3.669 0 40 FHAB CC(C)Sc1ccc(CC(=O)NC[C@H]2COC3(CCCCC3)O2)cc1 38568638 XYQYLFGEFXWBNM-KRWDZBQOSA-N 363.523 3.922 0 40 FHAB O=S(=O)(Nc1nnc(SCc2ccccc2)s1)c1cccs1 121210947 JHLKVNKQHMLYRG-UHFFFAOYSA-N 369.518 3.693 0 40 FHAB COCc1nnc(NC(=O)c2nc(C)sc2-c2cccc(F)c2)s1 79492131 CSKOYISHZXVLAK-UHFFFAOYSA-N 364.427 3.508 0 40 FHAB Cc1n[nH]cc1C(=O)N1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 72358050 PZARSMJXSGLMHM-HXUWFJFHSA-N 364.424 3.820 0 40 FHAB Cc1ccccc1C(=O)NCCC(=O)N1CCSc2ccc(Cl)cc21 48345768 JKLKDAIJQHFJKI-UHFFFAOYSA-N 374.893 3.907 0 40 FHAB COC(=O)c1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)cc1 40268202 LMZCZEHTILTALD-MRXNPFEDSA-N 365.364 3.922 0 40 FHAB CC[C@@H](NS(=O)(=O)c1cccc(C(=O)OC)c1)c1ccc(C)c(C)c1 224354086 KSGVKNOFJLMZMV-GOSISDBHSA-N 361.463 3.520 0 40 FHAB CC[C@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1)c1ccc(C)c(C)c1 222423280 XMFVDIGYNZKUMM-IBGZPJMESA-N 374.506 3.580 0 40 FHAB CCCCc1nnc2sc(NC(=O)C34CC5CC(CC(C5)C3)C4)nn12 41076397 VTVDYXPOZVBJSX-UHFFFAOYSA-N 359.499 3.683 0 40 FHAB CC[C@@H](C(=O)Nc1cccc(C)c1C)N(c1cccc(C)c1)S(C)(=O)=O 220498255 HNXVVFJZWWKSIV-IBGZPJMESA-N 374.506 3.795 0 40 FHAB COc1ccc(-c2noc(C(=O)N[C@H](C)c3ccccc3)c2[C@H](C)O)cc1 225429937 KAFBVLXWVJXESH-KGLIPLIRSA-N 366.417 3.895 0 40 FHAB biogenic,in-vitro CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1nc(-c2cccs2)no1 223002968 CYDILNAPTJXSKW-OAHLLOKOSA-N 371.462 3.889 0 40 FHAB CCc1ccc(NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1 225817298 IZOZQTUTWJSLGH-UHFFFAOYSA-N 364.492 3.730 0 40 FHAB O=C(CSCc1ccccc1)N1CC(c2nc(-c3cccs3)no2)C1 49484197 PUOJPDPPKXXLPN-UHFFFAOYSA-N 371.487 3.657 0 40 FHAB CC(C)C[C@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)O 40287835 GECVPZMADHTLQS-AWEZNQCLSA-N 366.870 3.622 0 40 FHAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2cccc3cccnc23)C1=O 9498263 RAKHFYJBMPKSRK-NRFANRHFSA-N 363.392 3.731 0 40 FHAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1 225065443 SYBIXMUHPWIOAZ-LJQANCHMSA-N 366.505 3.524 0 40 FHAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2SC)ccc1Cl 223830978 CRZXGPXHMVPUMR-UHFFFAOYSA-N 371.867 3.649 0 40 FHAB Cc1c(F)cccc1NS(=O)(=O)c1ccc(Br)c(F)c1 95067910 YNCMIJRFZHDWMZ-UHFFFAOYSA-N 362.195 3.837 0 40 FHAB CCC[C@]1(C(=O)OCC)CCCN1C(=O)c1ccc2c(C)cc(O)nc2c1 578277634 ICALILXEXLPCLV-OAQYLSRUSA-N 370.449 3.587 0 40 FHAB Cc1ccc(CN2CCC[C@@]3(CCN(C(=O)c4cc(C)oc4C)C3)C2)o1 96215922 OXTYRIPOIZUXSS-OAQYLSRUSA-N 356.466 3.926 0 40 FHAB C[C@@H]1Oc2c(cccc2C(=O)NC2(c3ccc(F)cc3)CCCC2)NC1=O 591044898 YBZOVJWDIIKDFS-ZDUSSCGKSA-N 368.408 3.744 0 40 FHAB CC(C)[C@H](O)[C@@H](NC(=O)C[C@@H](O)c1ccc(Cl)cc1)c1ccccc1 1118793586 XZGPQWUFFVGQDT-HOJAQTOUSA-N 361.869 3.638 0 40 FHAB CN(Cc1ncon1)C(=O)CCc1c(-c2ccccc2)[nH]c2ccccc12 1152955105 YJUREXBTJUCSGL-UHFFFAOYSA-N 360.417 3.809 0 40 FHAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCc3sccc3[C@@H]2CC)c1 1290848015 NQJPIIIRJNWLET-HNNXBMFYSA-N 356.447 3.728 0 40 FHAB COc1ccccc1-c1noc(CCC(=O)Nc2cccc(Cl)c2)n1 5577062 GNZIFYRHRUJOEE-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB Cc1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c(Cl)c1 13042436 ILKTZTDIUOEDDA-UHFFFAOYSA-N 353.809 3.557 0 40 FHAB COc1cc(NC(=O)COc2cccc(C)c2C)ccc1NC(=O)C(C)C 17075888 MBJFYVIYCHTHEO-UHFFFAOYSA-N 370.449 3.924 0 40 FHAB COc1ccc2[nH]c(C(=O)N3CC[C@@](O)(c4ccc(C)cc4)C3)c(C)c2c1 19714918 DRFWONXJYJXAOC-QFIPXVFZSA-N 364.445 3.527 0 40 FHAB CCc1nnc(S/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(=O)O)[nH]1 7342581 BVOYQYXHMNYWPB-WJDWOHSUSA-N 368.462 3.992 0 40 FHAB Cc1noc2nc(C3CCN(C(=O)c4ccncc4)CC3)cc(C(F)F)c12 19564933 QFWMNGWRCDIQPZ-UHFFFAOYSA-N 372.375 3.884 0 40 FHAB CCn1c(SC[C@H](O)c2ccccc2)nnc1-c1ccccc1OC 11810632 GFPIOVOLTAPMLU-INIZCTEOSA-N 355.463 3.799 0 40 FHAB CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)C1CCCC1 5893745 FAPAVNZGBIKHLD-UHFFFAOYSA-N 355.438 3.676 0 40 FHAB Cc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)NC1CCCCC1 16843816 XBNKGZJFYOLPPT-UHFFFAOYSA-N 373.453 3.508 0 40 FHAB CC[C@H](C)c1ccccc1OC[C@@H](O)CN1CCN(c2ccccc2)CC1 20807191 LQTRZGRKWASDLG-FPOVZHCZSA-N 368.521 3.762 0 40 FHAB O=C(NCc1ccccc1)N1CCS[C@@H](c2ccc3c(c2)OCO3)CC1 219243002 GZZZKXUWTUHQFJ-LJQANCHMSA-N 370.474 3.805 0 40 FHAB Cc1ccc(N2CCN(CC(=O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)C2=O)cc1 49026110 BFPSJNCJCFCBTH-IAGOWNOFSA-N 357.498 3.568 0 40 FHAB COc1ccccc1OCC(=O)N1CCC(COCc2ccccc2)CC1 49028708 RFATXOIQNSEGQJ-UHFFFAOYSA-N 369.461 3.529 0 40 FHAB CCc1ccccc1NC(=O)CSc1cc(-n2nc(C)cc2C)ncn1 49404062 ZVAGZGSJAZHXPD-UHFFFAOYSA-N 367.478 3.572 0 40 FHAB C[C@@H](SC(=S)N1CCCC1)C(=O)Nc1nc2ccccc2s1 40127415 VPTHSMHOHPBDPD-SNVBAGLBSA-N 351.522 3.737 0 40 FHAB CCOc1ccc([C@H]2CCCN2C(=O)c2cnc3[nH]nc(C)c3c2)cc1 40118673 CMUUSCGTHRSUSB-GOSISDBHSA-N 350.422 3.642 0 40 FHAB CN(C(=O)NC[C@H]1COc2ccccc2O1)[C@H]1CCCc2ccccc21 30988429 YVXOURQHEHZUAF-WMZOPIPTSA-N 352.434 3.545 0 40 FHAB Cc1ccc(-c2cc(C(=O)NCCc3nc(-c4ccccc4)no3)no2)cc1 32593796 MUHPTPBRCHQWQI-UHFFFAOYSA-N 374.400 3.673 0 40 FHAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCCc2ccccc21 32674500 DRWMVVXWFPAVPC-UHFFFAOYSA-N 366.505 3.689 0 40 FHAB O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1cc(F)ccc1F 32817303 RAKJBZNZPYHRIG-UHFFFAOYSA-N 365.401 3.933 0 40 FHAB CC(=O)Nc1ccc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)cc1 21941321 AEVVSDLQWLJFND-UHFFFAOYSA-N 371.780 3.705 0 40 FHAB COc1ccc(CNC(=O)c2csc(Nc3ccc(OC)cc3)n2)cc1 819480 UVEGRRZOIQBJLN-UHFFFAOYSA-N 369.446 3.834 0 40 FHAB O=C(CSc1nnc(COc2ccccc2)o1)Nc1ccc(F)cc1 908726 MYEJXYVUUVGKDU-UHFFFAOYSA-N 359.382 3.519 0 40 FHAB COc1cc(OC)nc([C@H](Sc2ccc(N)cc2)c2ccccc2)n1 1741916 NZRFMXYVJFBNEM-GOSISDBHSA-N 353.447 3.958 0 40 FHAB CC[C@H](Oc1ccccc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 2233561 XCSSFZSLPNPUST-IBGZPJMESA-N 358.869 3.846 0 40 FHAB COc1ccccc1-c1c(NC(=O)C(C)C)n(C)c2ccccc2c1=O 2433208 WITCPHUEQLJCKH-UHFFFAOYSA-N 350.418 3.809 0 40 FHAB CCS(=O)(=O)c1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 2554018 KNCXPBDBWIVBKM-UHFFFAOYSA-N 350.749 3.609 0 40 FHAB Cc1ccnc(NC(=O)c2ccn(COc3cc(C)ccc3Cl)n2)c1 2798448 QTKJXAZYNJSBLU-UHFFFAOYSA-N 356.813 3.837 0 40 FHAB O=C(COC(=O)c1c(F)cccc1Cl)Nc1ccccc1OC(F)F 3283703 YLWGNEWUNZUNHA-UHFFFAOYSA-N 373.714 3.876 0 40 FHAB CCc1nc2ccccc2c(C(=O)OCc2nc3ccccc3c(=O)[nH]2)c1C 3314555 USKAZPQRLUJTAF-UHFFFAOYSA-N 373.412 3.699 0 40 FHAB Cc1ccc(S(=O)(=O)NCCc2ccc(C(F)(F)F)cc2)c(C)c1 3398213 WZZIMEBPHNJQIA-UHFFFAOYSA-N 357.397 3.843 0 40 FHAB CC(=O)Nc1ccc(-c2csc(NC(=O)Cc3ccccc3)n2)cc1 3621437 WXZMZKUJSIZVBR-UHFFFAOYSA-N 351.431 3.950 0 40 FHAB CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCC(C)C)cc1 4066328 JJQFLCSENHEANQ-GOSISDBHSA-N 360.454 3.693 0 40 FHAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1cc(OC)cc(OC)c1 4110974 NQCAQHREUACKCK-UHFFFAOYSA-N 369.373 3.879 0 40 FHAB Cc1c(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)oc2ccccc12 4195191 LGGICADJPQLUSF-UHFFFAOYSA-N 352.342 3.552 0 40 FHAB aggregator Cc1ccc(-n2ncc3c(=O)n(Cc4cccc(Cl)c4)cnc32)c(C)c1 4479320 XDSPFSLFYFFDDS-UHFFFAOYSA-N 364.836 3.901 0 40 FHAB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC)cc3)N=C2S)cc1 4882866 OEWNTZARNCDNEU-ATVHPVEESA-N 354.431 3.767 0 40 FHAB COC(=O)c1ccc(COC(=O)/C=C/c2ccc(OC(F)F)cc2)cc1 4936074 CDEXOARFSBWAGP-IZZDOVSWSA-N 362.328 3.831 0 40 FHAB Cn1c(/C=C2/SC(=O)N(c3ccc(F)cc3)C2=O)nc2ccccc21 5236063 WJNJMHYYMWOOFL-XNTDXEJSSA-N 353.378 3.953 0 40 FHAB Cc1ccc([S@](=O)CC(=O)c2cc(C)c(OC(=O)N(C)C)c(C)c2)cc1 5363590 WIROPUDMGLCPFX-SANMLTNESA-N 373.474 3.663 0 40 FHAB CC(C)C(=O)NCCCc1nc2ccccc2n1Cc1ccccc1F 5545964 VDQKLQDQOSFXAL-UHFFFAOYSA-N 353.441 3.929 0 40 FHAB O=C(NC[C@H]1COc2ccccc2O1)Nc1ccc(Cl)c(Cl)c1 5604789 XMOKZRXQUHKQDF-NSHDSACASA-N 353.205 3.955 0 40 FHAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1ccc(F)c(Cl)c1 5797222 UODURLPCOPTEKF-UHFFFAOYSA-N 371.755 3.574 0 40 FHAB Cc1ccc(-c2csc3ncn(CC(=O)OC(C)(C)C)c(=O)c23)cc1 6087492 WLVRJWACHBRYPA-UHFFFAOYSA-N 356.447 3.775 0 40 FHAB COc1ccccc1-c1nnc(SCCC(=O)Nc2ccccc2)o1 6175027 LWYDTVGESUDBQB-UHFFFAOYSA-N 355.419 3.866 0 40 FHAB Clc1cc(Cl)cc(-n2cc(-c3nnnn3-c3ccccc3)cn2)c1 6283347 BCPLFRKQSIOSRJ-UHFFFAOYSA-N 357.204 3.822 0 40 FHAB NC(=O)c1c(NC(=O)Cc2cccc(C(F)(F)F)c2)sc2c1CCC2 6509923 PMEOPUTYVSUZCD-UHFFFAOYSA-N 368.380 3.536 0 40 FHAB Cc1ccc(OCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c(C)c1 6931532 GKVDYTZWPJMHBD-UHFFFAOYSA-N 372.896 3.993 0 40 FHAB COC(=O)CCSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 7032619 OSVQLBOLULLTNY-UHFFFAOYSA-N 357.410 3.729 0 40 FHAB COc1ccc(-c2nnn(Cc3c(Cl)cccc3Cl)n2)cc1OC 7698987 XBZMRDJWYAZOPK-UHFFFAOYSA-N 365.220 3.712 0 40 FHAB Cc1nn(C)c(C)c1[C@H]1Nc2ccccc2C(=O)N1CCc1ccccc1 7884683 NTTOEONKTKLXEY-NRFANRHFSA-N 360.461 3.846 0 40 FHAB O=C(Nc1cccc(Br)c1)c1ccc(N2CCCC2=O)cc1 8206257 HXISGQCIYXSEKN-UHFFFAOYSA-N 359.223 3.828 0 40 FHAB Cc1nnc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)o1 8707844 CJWXJRNCTNWFOV-UHFFFAOYSA-N 363.446 3.842 0 40 FHAB CCOc1ccc(-c2nonc2NC(=O)COc2ccc(Cl)cc2)cc1 8917217 ZQLMIZSSQIAUFW-UHFFFAOYSA-N 373.796 3.806 0 40 FHAB COCCN1CN(Cc2ccccc2Cl)Cn2c1nc1ccccc12 8990295 ZIBATHCKUPVKJZ-UHFFFAOYSA-N 356.857 3.573 0 40 FHAB COc1ccc(NC(=O)[C@@H](OC(=O)c2ccc[nH]2)c2ccccc2)cc1 9535556 KPPWXRHQLWYXLA-SFHVURJKSA-N 350.374 3.560 0 40 FHAB COc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2)cc1NC(C)=O 9953062 PNAIHZWUTPTCPA-UHFFFAOYSA-N 371.414 3.575 0 40 FHAB CC1CCN(Cc2csc(NC(=O)c3ccc(Cl)nc3)n2)CC1 10214184 HLNYCFCJLRWLMA-UHFFFAOYSA-N 350.875 3.676 0 40 FHAB C[C@H]1CCc2ccccc2N1C(=O)CSc1nncn1-c1ccccc1 10552204 HYUZODDWZZVMHC-HNNXBMFYSA-N 364.474 3.727 0 40 FHAB CC(=O)Nc1ccc(C(C)=O)cc1OCC(=O)N(C(C)C)C1CCCCC1 10581655 MFTFHCQSBUHLCH-UHFFFAOYSA-N 374.481 3.796 0 40 FHAB C[C@H]1CCc2noc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)c2C1 12119830 VDEVCHFCAOWCSU-AWEZNQCLSA-N 356.441 3.887 0 40 FHAB CC(C)(C)c1ccc(C(=O)NCc2nnc3n2-c2ccccc2CC3)cc1 12539344 CSNLENFRSXULQV-UHFFFAOYSA-N 360.461 3.593 0 40 FHAB COc1ccc(Cn2c(SC(C)C)nc3ccccc3c2=O)cc1OC 12864074 CKHNEINZKGSWFV-UHFFFAOYSA-N 370.474 3.963 0 40 FHAB Cc1ccc(C(=O)CCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 12908074 TYMSKAJFQWBFRI-UHFFFAOYSA-N 366.461 3.638 0 40 FHAB Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccco2)cc1C(F)(F)F 13006790 GBBVGUROTJLJDN-CQSZACIVSA-N 366.339 3.850 0 40 FHAB CCC[C@H]1[C@H]2C(=O)N(c3ccc(CC)cc3)C(=O)[C@H]2ON1c1ccccc1 13563479 KZVSHWCSDYFGSC-ZCNNSNEGSA-N 364.445 3.728 0 40 FHAB Cc1ccc(OCC(=O)NCc2ccc(CN3CCCCC3)cc2)c(C)c1 16507419 INWBRNPUMUWEME-UHFFFAOYSA-N 366.505 3.985 0 40 FHAB CC[C@@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1cc(C)on1 16747799 VVBXYFWGKFEANQ-LLVKDONJSA-N 357.193 3.864 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)Nc1ccn(Cc2ccccc2Cl)n1 17076012 FZVUHMKCPYRPKZ-UHFFFAOYSA-N 370.796 3.958 0 40 FHAB O=C(Cc1cc(F)ccc1F)N1CCC[C@@H](c2cc3ncccc3cn2)C1 19347359 MBFOHNWKSGXOOP-OAHLLOKOSA-N 367.399 3.857 0 40 FHAB CC(C)CN1CCC[C@](C[C@@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)O)C1 19447162 HQIOPBLAUQXDNJ-FXAWDEMLSA-N 362.445 3.532 0 40 FHAB COc1ccc(-c2[nH]c3ncccc3c2CN2C[C@H](C)O[C@@H](C)C2)cc1 19497538 SYFATPZOLSEJKU-GJZGRUSLSA-N 351.450 3.848 0 40 FHAB COc1ccccc1CCC(=O)N1CCC(c2cc3ncccc3[nH]2)CC1 19569830 GFBKKJWITJIRDL-UHFFFAOYSA-N 363.461 3.910 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cnc(-c2ccccc2)[nH]c1=O 19937235 ZGIINDZIFRNKHL-UHFFFAOYSA-N 360.200 3.996 0 40 FHAB CC[C@H](Oc1ccccc1C)C(=O)NCc1ccc(-n2ccnc2C)cc1 20107338 NWMINDYZWIIMCP-FQEVSTJZSA-N 363.461 3.963 0 40 FHAB Cc1cc(C(=O)O)ccc1NC(=S)NC(=O)c1cccc(OC(C)C)c1 20152736 XVJYGLXVHMPCAB-UHFFFAOYSA-N 372.446 3.607 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccc([S@@](C)=O)cc1 21646049 QQYYKTMYKQNFIH-SRGMZFCMSA-N 369.442 3.642 0 40 FHAB CCOC(=O)C1=C(N)S[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 21964679 DHQHVCBGSGCNIW-MAUKXSAKSA-N 353.443 3.502 0 40 FHAB Cc1cc(=O)c(C(=O)OCc2ccccc2F)nn1-c1ccc(Cl)cc1 22068899 JMESWJMFSUIVJO-UHFFFAOYSA-N 372.783 3.690 0 40 FHAB C[C@@H](NC(=O)CN1CCc2sccc2C1)c1ccc2c(c1)CCCC2 22277684 NQWJHGNAXZJLGP-OAHLLOKOSA-N 354.519 3.862 0 40 FHAB O=C(Nc1ccc(-n2ccnc2)nc1)c1cccc2c3c([nH]c12)CCCC3 24907856 OFSPAKBVSLGWTC-UHFFFAOYSA-N 357.417 3.880 0 40 FHAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc2c(c1)NC(=O)CO2 25672898 IMCBCOGMOIPEEQ-ZIAGYGMSSA-N 367.449 3.970 0 40 FHAB CCCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OCCC)cc1 28048234 DWFOBOPTIYMDKR-GOSISDBHSA-N 370.453 3.699 0 40 FHAB O=C(CSc1nc2ccc(C(=O)O)cc2[nH]1)Nc1cccc(Cl)c1 28539766 UYKQRZQFCBELCT-UHFFFAOYSA-N 361.810 3.645 0 40 FHAB COc1ccccc1-c1cc(Cn2c(=O)oc3cc(Cl)ccc32)on1 29426193 UKYSRBJRTPCFRZ-UHFFFAOYSA-N 356.765 3.960 0 40 FHAB CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cc(-c2ccco2)[nH]n1 32017886 HAEBFAOFGPLHAQ-UHFFFAOYSA-N 365.311 3.841 0 40 FHAB CC(C)N(CCNC(=O)C1(c2cccc(Br)c2)CC1)C(C)C 32245219 ZSCKTENYVJCGSI-UHFFFAOYSA-N 367.331 3.716 0 40 FHAB O=C(NCc1cccc(CN2CCCC2)c1)c1ccccc1Br 32461882 CEYKYXZZWBGBAM-UHFFFAOYSA-N 373.294 3.975 0 40 FHAB COc1cccc(CN(C)Cc2cc(Cl)c3c(c2)OCCO3)c1OC 32751416 SSZFVXYFAPOIBZ-UHFFFAOYSA-N 363.841 3.760 0 40 FHAB O=C1COc2cc(NC(=O)c3ccc(F)cc3Cl)c(Cl)cc2N1 33193828 DMZMSSUJMBBDAJ-UHFFFAOYSA-N 355.152 3.716 0 40 FHAB O=c1/c(=C/c2ccc(-c3ccccc3F)o2)sc2nc3ccccc3n12 33296750 CLYJJZMAWVVTAA-WQRHYEAKSA-N 362.385 3.856 0 40 FHAB COc1ccc2cc(CN(C)C(=O)CN3CCc4ccccc4C3)ccc2c1 36390305 RESQCTNRRQJRGK-UHFFFAOYSA-N 374.484 3.865 0 40 FHAB CCCc1ccc([C@H](NC(=O)c2ccn(C)c(=O)c2)c2cccs2)cc1 36397427 ZFARYIKNLXOOFY-FQEVSTJZSA-N 366.486 3.919 0 40 FHAB O=C(CSCc1ccccc1)NCC1(c2cccs2)CCOCC1 38940102 FUNBKEGVVILVFJ-UHFFFAOYSA-N 361.532 3.846 0 40 FHAB CCc1ccc([C@H](C)NC(=O)COc2cccc(NC(=O)C3CC3)c2)cc1 40079550 LJHDRXNKYKRTIU-HNNXBMFYSA-N 366.461 3.854 0 40 FHAB COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)cc1 40106721 BWMQSLBJUOHZLP-UHFFFAOYSA-N 360.413 3.878 0 40 FHAB CCN(C(C)=O)c1nc(CN(C)[C@@H](C)c2cc(F)ccc2F)cs1 40153634 LKLKNHHYCUQGJR-NSHDSACASA-N 353.438 3.987 0 40 FHAB COc1ccc2ccc(OC(=O)c3ccc(C)c(S(C)(=O)=O)c3)cc2c1 44341971 UNSNSNZFVXJCSE-UHFFFAOYSA-N 370.426 3.780 0 40 FHAB CCOc1cccc2c1OCC(C(=O)N1CCC[C@@H]1c1cc(C)on1)=C2 46764976 IFLDZERUHZHBCM-QGZVFWFLSA-N 354.406 3.521 0 40 FHAB CN(Cc1nc(Cc2ccccc2)no1)Cc1ccccc1N1CCCC1 48234463 DGWHAAFOXQURJY-UHFFFAOYSA-N 362.477 3.893 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)C(=O)Nc1ccc2sccc2c1 48729130 YDXRFWHRLQZEOA-LBPRGKRZSA-N 354.431 3.726 0 40 FHAB Cc1cc(C)c(NC(=S)N2CCC[C@@H](C(=O)NC3CC3)C2)c(Cl)c1 50253064 SOFVWTDLAYHDAM-CYBMUJFWSA-N 365.930 3.644 0 40 FHAB O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)N1CCc2ccc(O)cc2C1 57188151 NIYUJECONCICBT-VQTJNVASSA-N 370.424 3.519 0 40 FHAB CC(=O)c1ccc(N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)cc1 57438504 DNDCXEGGNROYQS-UHFFFAOYSA-N 361.445 3.866 0 40 FHAB Cc1nc2ccccc2nc1COC(=O)c1cc(O)c2ccccc2c1O 58079283 CACUJLNNBVIYRB-UHFFFAOYSA-N 360.369 3.860 0 40 FHAB Cc1nc2ccc(C(=O)N[C@H](C)COc3ccc(F)cc3F)cc2nc1C 58407592 BXNWCDCKDPPVJY-LLVKDONJSA-N 371.387 3.722 0 40 FHAB CN(Cc1ccc(Br)cc1)C[C@@H](O)COCc1cccs1 68047598 IDVJPODBTNEHMR-OAHLLOKOSA-N 370.312 3.520 0 40 FHAB COC(=O)c1cc(-c2csc(NC(=O)C3=C(Cl)CCCC3)n2)c[nH]1 71795985 YCTMMMWQLATXKU-UHFFFAOYSA-N 365.842 3.930 0 40 FHAB COc1ccc(CN(C)C(=O)CSCc2ccccc2C)cc1OC 78249580 SGASEJKDGOYWIZ-UHFFFAOYSA-N 359.491 3.904 0 40 FHAB CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccnc2)c1 78652803 BSGSSFVNTPFESX-QZTJIDSGSA-N 372.490 3.537 0 40 FHAB CCc1nnc(O)c(C(=O)O[C@H](C)C(=O)c2cc(C)c(C)cc2C)c1CC 83817623 IDZJQEQTEHBQGR-CQSZACIVSA-N 370.449 3.660 0 40 FHAB C[C@H](OC(=O)C1SCCS1)C(=O)Nc1cccc(Cl)c1Cl 89573946 DSRRYJYAQGJKBF-ZETCQYMHSA-N 366.291 3.670 0 40 FHAB Cc1nc2ccccc2n1CCN1CCN(C/C=C/c2ccccc2)CC1 89729970 ZJKJFCGZHPLKJF-JXMROGBWSA-N 360.505 3.676 0 40 FHAB CC(C)Sc1ccc(CC(=O)NC[C@@]2(O)CCc3ccccc3C2)cc1 90611486 WERFMFUTEYQVFE-JOCHJYFZSA-N 369.530 3.766 0 40 FHAB O=C(CCSc1ccccc1)Nc1ccccc1-c1ccc(=O)[nH]n1 90613890 OHEAZUFEMTYWNE-UHFFFAOYSA-N 351.431 3.558 0 40 FHAB COc1ccc2cc(C(=O)Nc3cccc(N4CCCCC4=O)c3)[nH]c2c1 96098382 YMAXNBGGCHYABU-UHFFFAOYSA-N 363.417 3.946 0 40 FHAB Cc1nc(CN2CCc3ncnc(-c4ccc(F)cc4)c3CC2)cs1 96255276 LKMWWNBUKKUJAA-UHFFFAOYSA-N 354.454 3.648 0 40 FHAB COc1ccccc1C1=N/C(=C/c2ccc(OC(F)(F)F)cc2)C(=O)O1 96930313 DIIZGZURPYYPPT-GXDHUFHOSA-N 363.291 3.938 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1 223779302 PMHKVHGGDNYMBZ-MRXNPFEDSA-N 372.896 3.826 0 40 FHAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)/C(=C/c1cccs1)NC(=O)c1ccccc1 224471132 KPNDTHLCHDTJHF-FRXWOXCVSA-N 366.486 3.824 0 40 FHAB C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)c1cccc(Br)c1 225598944 GCXQIJLMCVQDJK-GFCCVEGCSA-N 360.251 3.745 0 40 FHAB O=C(NCCc1ccccc1)NCc1ccc(Oc2nccs2)cc1 225647754 BQINTDJOTPJNRV-UHFFFAOYSA-N 353.447 3.977 0 40 FHAB O=C(NCc1cccnc1-c1ccncc1)c1cc(-c2ccccc2)on1 225748671 OBOHRPHJAGHBAU-UHFFFAOYSA-N 356.385 3.729 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=S)NC2(CCOC)CCCC2)c1 225864384 VUULZUDVWWNOAY-UHFFFAOYSA-N 364.511 3.807 0 40 FHAB Cc1ccc(CN2CC3(C[C@H](OCc4csc(C)n4)CCO3)C2)s1 248123307 WBHAMCOGFSNTEO-MRXNPFEDSA-N 364.536 3.772 0 40 FHAB c1cc(CN2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)ccn1 306128556 HEDYEVIKQHVCJC-FQEVSTJZSA-N 370.460 3.566 0 40 FHAB FC(F)(F)c1ccc(-n2ncc3c2COC[C@H]3NCc2ccoc2)cc1 306138641 SCXSBLJJIMYACS-MRXNPFEDSA-N 363.339 3.845 0 40 FHAB CCc1nc2c(s1)[C@H](N(C)C(=O)Cn1cc3ccccc3n1)CCC2 330062001 OTVZIOMYBLCFJE-MRXNPFEDSA-N 354.479 3.591 0 40 FHAB COc1ccc(NS(=O)(=O)c2cc(C(C)C)ccc2OC)cc1OC 408701537 ZLIZPZLLQNQRDM-UHFFFAOYSA-N 365.451 3.637 0 40 FHAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1 408702371 FBXRCMCXYVEHER-UHFFFAOYSA-N 366.870 3.687 0 40 FHAB Cc1cccc(Cn2cc([C@H]3NC[C@H](C(=O)O)S3)c3ccccc32)c1 408977246 HVMKVADNBUIRBI-MOPGFXCFSA-N 352.459 3.786 0 40 FHAB Cc1cccc(OCc2nn(CC(=O)Nc3ccccc3)c(=S)o2)c1 409155037 LFNWJPNBAWOGPV-UHFFFAOYSA-N 355.419 3.732 0 40 FHAB Cc1cc(Br)cc(C)c1NC(=O)COC(=O)c1ccccc1 409194471 CEHUETREBKPHOD-UHFFFAOYSA-N 362.223 3.861 0 40 FHAB O=C(CN1C(=O)S/C(=C/c2ccc(O)cc2)C1=O)c1ccc(Cl)cc1 409315613 JZDFZJGDVPKQHX-CXUHLZMHSA-N 373.817 3.965 0 40 FHAB Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2cccc(C)c2C)S(C)(=O)=O)c1 409381484 MQRVRRBBKCSCOG-KRWDZBQOSA-N 374.506 3.713 0 40 FHAB CC[C@@H](NCCCn1c(O)nc2ccccc21)c1ccc2c(c1)OCCO2 538174804 HOANHOMWTKZDPN-MRXNPFEDSA-N 367.449 3.644 0 40 FHAB CN(C(=O)Cn1ccc2ccccc2c1=O)[C@H]1CCCC[C@H]1C(F)(F)F 585085370 GOAXAHXMTUSMKO-CVEARBPZSA-N 366.383 3.581 0 40 FHAB O=C(NC[C@@H](O)c1csc2ccccc12)c1cc(-c2ccco2)on1 585147992 BZLWZQFKBVKEHH-CQSZACIVSA-N 354.387 3.613 0 40 FHAB O=C(NCc1cccc(-n2ccnc2)c1)c1csc(-c2cccs2)n1 604300163 DBCFTLYFLIDDFQ-UHFFFAOYSA-N 366.471 3.987 0 40 FHAB O=C(NCc1ccc(F)cn1)N1CCC(c2noc3cc(F)ccc23)CC1 642697205 GMXGRGMBRPUPSN-UHFFFAOYSA-N 372.375 3.590 0 40 FHAB Cn1cc([C@@H](NC(=O)N[C@@H]2CCCC23CCCCC3)C(F)(F)F)cn1 666903170 XYRMEOYGHPMQBQ-ZIAGYGMSSA-N 358.408 3.826 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)N1CC(n2c(C3CC3)nc3ccccc32)C1 1775970098 BBJVIRZBXWUTSE-HNNXBMFYSA-N 361.445 3.765 0 40 FHAB CCOc1ccc2nc(NC(=O)c3nccc(C(F)(F)F)n3)sc2c1 1888901181 LBYRIXLYWDYIPA-UHFFFAOYSA-N 368.340 3.756 0 40 FHAB FC(F)(F)c1ccccc1CN1CCN(c2nc(C3CC3)ns2)CC1 2298048414 GSZIIRGGIMFXMZ-UHFFFAOYSA-N 368.428 3.757 0 40 FHAB COc1cc2c(cc1NC(=O)[C@@H](C)N1CCO[C@H](C)C1)oc1ccccc12 103428516 WEHANCTXNQPQDZ-ZIAGYGMSSA-N 368.433 3.642 0 40 FHAB COC(=O)c1cc(CNC(=O)NCCC23CC4CC(CC(C4)C2)C3)oc1C 60961822 CSIJMSGAWJZMGN-UHFFFAOYSA-N 374.481 3.780 0 40 FHAB COCCn1c(SCc2cc(C)on2)nnc1-c1ccc(Cl)cc1 8987969 XTXOUCAJABRRCY-UHFFFAOYSA-N 364.858 3.834 0 40 FHAB COc1ccc(-c2nnc(-c3cc4cc(OC)ccc4oc3=O)o2)cc1 856264 PSSMIQAYYZYVQO-UHFFFAOYSA-N 350.330 3.527 0 40 FHAB CCn1cc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)ccc1=O 47181210 NQLFIYXXLXNDCX-UHFFFAOYSA-N 374.400 3.566 0 40 FHAB Cc1csc(=O)n1CCSc1nnc(-c2cccc(Cl)c2)o1 8939211 IGAJZQNZUYPSMX-UHFFFAOYSA-N 353.856 3.714 0 40 FHAB CCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 8917165 GKJATVRNGUTWQZ-LBPRGKRZSA-N 371.368 3.680 0 40 FHAB O=C(Nc1ccc(-n2cccn2)c(Cl)c1)N[C@@H]1CCC[C@@H]1n1ccnc1 79019648 CUIOBYDOEYRVNI-WBVHZDCISA-N 370.844 3.638 0 40 FHAB Cc1cc(C(F)(F)F)nn1C[C@H](C)c1nc2c3ccccc3ncn2n1 2806423 QWCPTPYZFAUOGM-JTQLQIEISA-N 360.343 3.605 0 40 FHAB CCc1ccc(C2=NN(C(=O)OC(C)(C)C)[C@@](O)(C(F)(F)F)C2)cc1 4351806 RYLYWZKVAMJXBU-INIZCTEOSA-N 358.360 3.845 0 40 FHAB COc1ccccc1N[C@H](NC(=O)c1cccnc1)C(Cl)(Cl)Cl 808608 FZYHFBDNQVKSGL-CQSZACIVSA-N 374.655 3.628 0 40 FHAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(-c2nc3ccccc3o2)cc1 4838145 UTYYWKJUOSJCDE-FTUNRGFVSA-N 356.381 3.806 0 40 FHAB CCCCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 6401499 LBGLIQFOWRGMSO-UHFFFAOYSA-N 364.442 3.547 0 40 FHAB O=C(Nc1ccc(F)cc1Cl)c1ccc(S(=O)(=O)C(F)F)cc1 7969090 VXQPQAQBERWLPF-UHFFFAOYSA-N 363.744 3.728 0 40 FHAB O=C(COc1ccc2c(c1)OCO2)Nc1nc(-c2ccccc2)cs1 8816106 SUFJWJXYADLFRS-UHFFFAOYSA-N 354.387 3.556 0 40 FHAB CCOC(=O)c1cc2cc(C(=O)N3CCC[C@H](C(F)(F)F)C3)ccc2[nH]1 24859364 AXOBXHYGDWWDBS-ZDUSSCGKSA-N 368.355 3.759 0 40 FHAB COC(=O)C1=C(c2ccc(Cl)cc2)Nc2ncnn2[C@H]1c1ccccc1 59227862 IRMZZIILFPVGDM-KRWDZBQOSA-N 366.808 3.531 0 40 FHAB O=C(Nc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1)C1CC1 12526427 RMLIFYJNSNRNLU-UHFFFAOYSA-N 366.442 3.989 0 40 FHAB COc1cc(N[C@H](C)C(=O)Nc2ccc(C)c(F)c2)ccc1NC(C)=O 56162550 OYFUTIJSQQYBPQ-GFCCVEGCSA-N 359.401 3.540 0 40 FHAB CS(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2)C2CC2)ccc1Cl 25879239 HXKOPZURHSYBOS-QGZVFWFLSA-N 363.866 3.625 0 40 FHAB C[C@@H](NC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccc(F)c(F)c1 43874926 OYGLMEGNRRVJFP-LLVKDONJSA-N 359.376 3.740 0 40 FHAB CC(C)[C@@H](CNC(=O)NCc1ccc(F)cc1)N1CCc2ccccc2C1 26170118 VFZNUVRRXBFYJG-OAQYLSRUSA-N 369.484 3.708 0 40 FHAB COc1ccc(NC(=O)[C@@H](C)Sc2nc3ccccc3[nH]2)cc1OC 9513010 IZIAVTPRZAYKDG-LLVKDONJSA-N 357.435 3.699 0 40 FHAB O=C(NC[C@H](c1cccs1)N1CCCC1)Nc1ccc(F)cc1F 9750879 XHOIZWDLAAAWAU-OAHLLOKOSA-N 351.422 3.985 0 40 FHAB CCCCNC(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1 57487306 FYDZTJFDNIZRPJ-UHFFFAOYSA-N 358.829 3.775 0 40 FHAB CCOCc1cnc(C)nc1NCC(=O)c1c(C)[nH]c2cc(C)ccc12 1829204 VIWDERCUQLWNDC-UHFFFAOYSA-N 352.438 3.714 0 40 FHAB Cc1cc(Br)c(S(=O)(=O)N2CCCC[C@@H]2C)cc1Cl 54363159 MEQALOPYKNEAPJ-JTQLQIEISA-N 366.708 3.974 0 40 FHAB C[C@@H](NC(=O)CN1CCOc2ccc(C(F)(F)F)cc21)c1cccs1 89910168 JTPJJBPPJUJWLE-LLVKDONJSA-N 370.396 3.843 0 40 FHAB C[C@H](OC(=O)c1cnc(Cl)c(Cl)c1)C(=O)N[C@H]1CCCC[C@@H]1C 108854411 YXZMCYKWMPWFIF-KWBADKCTSA-N 359.253 3.629 0 40 FHAB O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(Cl)c(Cl)c1 57995356 WIRYSUJGNYONKL-INIZCTEOSA-N 363.244 3.524 0 40 FHAB Nc1c(C(=O)N2CCc3cc(Br)ccc32)sc2ncccc12 10010933 SMUCRNOLIFHIRQ-UHFFFAOYSA-N 374.263 3.844 0 40 FHAB COc1ccc(C)cc1C(=O)CSc1nnc(Cc2ccccc2)o1 58197060 KBWYEUIGGLDUPO-UHFFFAOYSA-N 354.431 3.952 0 40 FHAB COc1cccc2cc(-c3cc(=O)oc4c(C)c(O)ccc34)c(=O)oc12 2118910 HRLXYIVGGYRBNW-UHFFFAOYSA-N 350.326 3.589 0 40 FHAB biogenic Cc1cc(C)n2nc(SCc3noc(-c4ccccc4Cl)n3)nc2n1 12793178 GQGFZVOGRKIWBN-UHFFFAOYSA-N 372.841 3.737 0 40 FHAB CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CCc3sccc3C2)cc1 10923993 AUUQLGVSYNJNCU-UHFFFAOYSA-N 372.490 3.971 0 40 FHAB Cc1c(CN(C)Cc2nncn2C)c(-c2ccccc2)nn1-c1ccccc1 20856607 XQYFGHWJUZTHQK-UHFFFAOYSA-N 372.476 3.608 0 40 FHAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)N[C@@H](CC(C)C)c1ccccc1 11237593 BFOWDZLTSISRTH-INIZCTEOSA-N 359.495 3.577 0 40 FHAB c1ccc(-c2csc3ncnc(SCCN4CCOCC4)c23)cc1 36646071 SKWRURBFKLCNLH-UHFFFAOYSA-N 357.504 3.783 0 40 FHAB Cc1cc(C)c(NC(=O)COC(=O)CCC(=O)c2ccc(F)cc2)c(C)c1 3302357 SVSRAHQVTVOPPY-UHFFFAOYSA-N 371.408 3.896 0 40 FHAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C)cc2)N2C(=O)[C@H](C)SC2=N1 2487093 IKKLHZSUPQFMNC-XJKSGUPXSA-N 358.463 3.595 0 40 FHAB COC(CNc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3)OC 2420519 ZOYGSCHLJWMATI-UHFFFAOYSA-N 372.494 3.882 0 40 FHAB COc1cccc(OCC(=O)NCCOc2ccc(C(C)(C)C)cc2)c1 61279766 AGUFSTRHKYLPJZ-UHFFFAOYSA-N 357.450 3.567 0 40 FHAB COc1ccc(OC)c(CNC(=O)CSc2nc3ccccc3s2)c1 20414232 PMSWPZJGBFWTDK-UHFFFAOYSA-N 374.487 3.722 0 40 FHAB CN(Cc1ccc(Cl)s1)C(=O)c1ccc2c(c1)NC(=O)CS2 23643890 WKNMFIQCDWUSOJ-UHFFFAOYSA-N 352.868 3.718 0 40 FHAB Cc1nnc([C@H](C)S(=O)(=O)Cc2csc(C3CCCCC3)n2)o1 48374949 LECFPLHDQSFEBW-JTQLQIEISA-N 355.485 3.558 0 40 FHAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1 2630869 ZDGANLOLFZAIEE-ZDUSSCGKSA-N 357.479 3.830 0 40 FHAB CCc1cc2c(SCC(=O)Nc3ccc4c(c3)OCO4)ncnc2s1 2620355 BVYFBFYPXZUYLE-UHFFFAOYSA-N 373.459 3.713 0 40 FHAB CCS(=O)(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 46704654 YGRAONGHSWSWIJ-MRXNPFEDSA-N 362.882 3.893 0 40 FHAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccc(N2CCCC2=O)cc1 12851525 JBRUHPKRCIAATQ-QGZVFWFLSA-N 370.449 3.919 0 40 FHAB C[C@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1cccc(Cl)c1 12815294 NVKJESOTTYQVPJ-ZDUSSCGKSA-N 369.852 3.777 0 40 FHAB Cc1ccc(-n2nnnc2SCc2cc(=O)oc3cc(C)ccc23)cc1 3498699 IDMHSALRCHPFIN-UHFFFAOYSA-N 364.430 3.678 0 40 FHAB CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCc2ccccc21 12949946 JBHYKWGFAGIFOM-VQTJNVASSA-N 366.461 3.741 0 40 FHAB C[C@@H]1C(=O)N(Cc2ncc(-c3ccc(F)cc3)o2)C(=O)N1c1ccccc1 12934774 QJDAMXHNSLHLKI-CYBMUJFWSA-N 365.364 3.838 0 40 FHAB O=C(COC(=O)c1ccco1)c1ccc(-n2nncc2-c2ccccc2)cc1 26771347 DAEDDORZDBDVCP-UHFFFAOYSA-N 373.368 3.567 0 40 FHAB CCCN(C(=O)CCS(=O)(=O)Cc1ccccc1)c1cccc(C)c1 9196946 ULPUDOQCZMMUPN-UHFFFAOYSA-N 359.491 3.743 0 40 FHAB C=Cc1ccc(Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)cc1 64977520 ZGPKDIIMICDWNZ-UHFFFAOYSA-N 371.396 3.583 0 40 FHAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)Nc1ccccc1 5359987 ZVYSHNMUSSKNTI-UHFFFAOYSA-N 370.503 3.996 0 40 FHAB COC(=O)c1ccc(C(=O)OCc2csc(-c3ccccc3)n2)cc1 4588594 FHQRJQSGXZGAML-UHFFFAOYSA-N 353.399 3.954 0 40 FHAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CC=C(c2ccccc2)CC1 6542037 SNNFFPBYCCAVMZ-INIZCTEOSA-N 364.445 3.574 0 40 FHAB COc1ccc(CCN(C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1OC 14309575 NATFPQGMLXDOMC-UHFFFAOYSA-N 357.494 3.921 0 40 FHAB Cc1ccccc1N1C[C@@H](C(=O)Oc2ccc(Br)cc2)CC1=O 4610665 KQJVNIFRQYKMMO-ZDUSSCGKSA-N 374.234 3.716 0 40 FHAB COc1ccc(CNC(=O)Cc2csc(-c3ccccc3)n2)cc1OC 6647831 YUJXUWGPUJHRBG-UHFFFAOYSA-N 368.458 3.686 0 40 FHAB O=C(C1CC1)n1nc(-c2cccnc2)nc1NCc1ccc(Cl)cc1 4732416 ZLSKCERZKXJMJT-UHFFFAOYSA-N 353.813 3.656 0 40 FHAB C[C@H]1CCCN(C(=O)CSc2nnc(Nc3ccccc3F)s2)C1 6784307 OLXNDMNCJIEKSA-NSHDSACASA-N 366.487 3.771 0 40 FHAB C[C@@H](SCc1ccccc1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 14915676 RGDPIXMJFDTQLR-LLVKDONJSA-N 360.504 3.596 0 40 FHAB Cc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccccc2)cc1 4816448 WRRXFNLVZYPTEL-UHFFFAOYSA-N 369.428 3.949 0 40 FHAB CCn1nnc(NCc2cccc(OC)c2OCc2ccc(Cl)cc2)n1 15356929 UBAJUMKDTUUKTH-UHFFFAOYSA-N 373.844 3.546 0 40 FHAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCn1c(C)csc1=O 71844314 KDVAWKRWHZTRGN-QZTJIDSGSA-N 358.507 3.793 0 40 FHAB Cc1ccc(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc1F 7825005 YNMWTZZLYGGMBM-UHFFFAOYSA-N 351.425 3.926 0 40 FHAB CCC(C)(C)C1CCC(NC(=O)c2ccc(S(C)(=O)=O)cc2)CC1 8389080 NNFVFRCYOFYYNO-UHFFFAOYSA-N 351.512 3.815 0 40 FHAB CCOC(=O)c1ccc(N/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1 17118188 XGWYUAPXZDKKID-WJDWOHSUSA-N 370.792 3.774 0 40 FHAB Cc1cccc(C(=O)N2CCCN(CCOc3ccccc3Cl)CC2)c1 97132353 LECXMRKJEKRPED-UHFFFAOYSA-N 372.896 3.875 0 40 FHAB CCC(=O)Nc1cccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)c1 72309364 QZOXIJRMMAKDQX-GOSISDBHSA-N 373.884 3.721 0 40 FHAB Cc1nc(CNC(=O)Nc2ccccc2OC(F)(F)F)c2ccccn12 89708979 BTDQEBNJKVBKAO-UHFFFAOYSA-N 364.327 3.863 0 40 FHAB COc1cccc(-c2cc(C(=O)Nc3cc(C)nn3C3CCCC3)n[nH]2)c1 28243713 OMLDVPJYUJAONA-UHFFFAOYSA-N 365.437 3.958 0 40 FHAB CC(C)(C)OC(=O)N1CCN[C@](c2ccc(Cl)cc2)(C(F)(F)F)C1 306145549 IFOCWRTZIZEBTN-OAHLLOKOSA-N 364.795 3.938 0 40 FHAB CC1(C)O[C@H]2C[C@H](O)C[C@@H]3CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)C[C@@H](O1)[C@@H]4[C@]32C 123373499 YOMKZERBLMKYST-IRQOHZDBSA-N 362.510 3.699 0 40 FHAB O=C1NC(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)N1 409047528 OFWGADGHOOKBTO-RIYZIHGNSA-N 363.200 3.753 0 40 FHAB CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(F)cc2)N(C)C1=S 409050786 ZRUJNYOGJLGUCC-ATVHPVEESA-N 370.449 3.824 0 40 FHAB O=C(C[C@@H](c1ccsc1)n1cccc1)NCCn1cnc2ccccc21 524735114 WLSKWDFTTTVRHM-IBGZPJMESA-N 364.474 3.695 0 40 FHAB CCC(=O)Nc1nc(-c2ccc(Br)cc2)c(CC(=O)O)s1 31976108 PHEANQOUMXCEEP-UHFFFAOYSA-N 369.240 3.548 0 40 FHAB O=C(O)c1[nH]nc(-c2ccc3c(c2)OCCCO3)c1Cc1ccccc1 72220430 MPDYKGGZOJKXFL-UHFFFAOYSA-N 350.374 3.527 0 40 FHAB COc1ccccc1-c1nccnc1[C@H]1CCCN(C2CCOCC2)C1 72359072 KQISKZSOZKGPJP-INIZCTEOSA-N 353.466 3.511 0 40 FHAB Cn1cncc1CN1CCC(c2nccnc2Oc2ccccc2F)CC1 72363167 PCYCKUYKALZFJK-UHFFFAOYSA-N 367.428 3.521 0 40 FHAB O=C(CNCCOc1ccccc1)NC(c1ccccc1)c1ccccc1 49581035 OUTJYUANZZEMQW-UHFFFAOYSA-N 360.457 3.561 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 42646664 MPBPKVLIJDTZAV-BXKDBHETSA-N 362.779 3.992 0 40 FHAB Cc1ccccc1CNC(=O)Cc1c(C)nn(-c2ccc(F)cc2F)c1C 40130709 KKBMBPMZCPKFKN-UHFFFAOYSA-N 369.415 3.935 0 40 FHAB COc1ccc(OCc2cc(C(=O)NC3CCCC3)ccc2OC)cc1 224262119 OWXSSODDRXRFAY-UHFFFAOYSA-N 355.434 3.955 0 40 FHAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCCC(C)C)c1 223939286 WUXYNLSYPBWRTR-UHFFFAOYSA-N 360.479 3.572 0 40 FHAB CCOc1ccc(NC(=O)C2(C)COC(c3ccccc3F)OC2)cc1 225920058 JNXJZLLJZFYVGU-UHFFFAOYSA-N 359.397 3.915 0 40 FHAB COc1cccc(NC(=O)CSc2nncn2[C@H](C)c2ccccc2)c1 48369129 HNGVZOIJWDRISX-CQSZACIVSA-N 368.462 3.627 0 40 FHAB FC(F)(F)c1ccc(NC(=S)N2CCN(Cc3ccco3)CC2)cc1 225215341 KVEUCROKGBQLRA-UHFFFAOYSA-N 369.412 3.813 0 40 FHAB O=Cc1ccccc1OCc1nc(-c2ccc(Br)cc2)no1 89262875 CUQWWMRKXUUHOK-UHFFFAOYSA-N 359.179 3.891 0 40 FHAB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)Nc1ccc(Cl)cc1Cl 223317413 VXAACPMDCGUPAQ-UHFFFAOYSA-N 373.217 3.537 0 40 FHAB COc1cc(C(F)(F)F)nc(NC(=S)N[C@@H](C)c2ccccc2)n1 225963327 XVWBIYMLNHVSRV-VIFPVBQESA-N 356.373 3.552 0 40 FHAB CCc1ccc(O[C@@H](CC)C(=O)N2CCN(c3ccccc3F)CC2)cc1 222878433 ZGMBSAVJEHPEOC-NRFANRHFSA-N 370.468 3.894 0 40 FHAB O=C(NCc1cccc2ccccc12)NCC1CCN(c2cccnc2)CC1 225657667 CZPFPIYKLFQDNU-UHFFFAOYSA-N 374.488 3.951 0 40 FHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 223032265 MPMSPISOXUKQSS-RTBURBONSA-N 370.522 3.617 0 40 FHAB CCC(C)(C)Nc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O 143963650 HUOZRFWXPDKGET-UHFFFAOYSA-N 362.282 3.941 0 40 FHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@H](O)CN1CCN(c2ccccc2)CC1 239358414 NGGKDTCGSHXTLI-ADHNFCLRSA-N 374.569 3.647 0 40 FHAB Cn1cc(CNC[C@H]2Cn3cc(-c4ccccc4)nc3CO2)c2ccccc21 96296296 DKWDHTZUYZRMFO-IBGZPJMESA-N 372.472 3.730 0 40 FHAB biogenic,in-vitro COc1cc(CN=c2[nH]cc(C(C)C)s2)c(Br)cc1O 542751923 UDBNBPLRIRDLQD-UHFFFAOYSA-N 357.273 3.777 0 40 FHAB Cc1ccsc1CN1Cc2ccnn2[C@@H](CCOCc2cccnc2)C1 253599778 UJJBWBTUCDTATA-IBGZPJMESA-N 368.506 3.812 0 40 FHAB Cc1ncoc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257257419 KPNGJKNLGGWYEP-KRWDZBQOSA-N 351.406 3.929 0 40 FHAB Cc1ncsc1C(=O)N1CCOC[C@@H](Cc2cccc3occc23)C1 257256238 KKPJHONHLCMASF-AWEZNQCLSA-N 356.447 3.529 0 40 FHAB CC(=O)Nc1nc2nc(C3CCN(C(=O)CC(C)(C)C)CC3)ccc2s1 257282441 OTUFIMLLOOHQBV-UHFFFAOYSA-N 374.510 3.792 0 40 FHAB COc1ccccc1[C@H](CNC(=O)c1ccccc1Br)OC 96384672 OFDDXQGETWLUMI-INIZCTEOSA-N 364.239 3.575 0 40 FHAB Cc1cc(C)n(-c2ccc(CC(=O)N3CC[C@@H](CN)c4ccccc43)cc2)n1 639072137 WBABQCIDXKLQME-IBGZPJMESA-N 374.488 3.511 0 40 FHAB O=C(NCc1ccncc1)N1CCC(c2nc3c(s2)CCCC3)CC1 643624530 IRNZOQZUEIQSBL-UHFFFAOYSA-N 356.495 3.506 0 40 FHAB O=c1cc(CN2CCN(c3ccccc3)CC2)c2cc(Cl)ccc2o1 54147546 XTZJJAZTJYAANR-UHFFFAOYSA-N 354.837 3.769 0 40 FHAB biogenic CC(C)[C@H](CNC(=O)N1CCOc2cccc(F)c2C1)c1cccnc1 669871899 LOLQRZWMBAZEKM-INIZCTEOSA-N 357.429 3.565 0 40 FHAB COc1ccc(CN2CC3(C[C@H](OCc4cccc(C)n4)CS3)C2)cc1 585105064 ONXIKGBEJITSBC-FQEVSTJZSA-N 370.518 3.675 0 40 FHAB C[C@H]1c2cccn2CCN1CC(=O)N[C@@H](c1ccccc1)c1cccs1 57270721 BRFFVOUIJCKQQV-KKSFZXQISA-N 365.502 3.832 0 40 FHAB Cc1csc(C(=O)NCCc2nc3c(c(C(F)(F)F)n2)CCCC3)c1 77101188 UZYPVKWIDCMGFP-UHFFFAOYSA-N 369.412 3.717 0 40 FHAB O=C(C[S@@](=O)Cc1c(Cl)ccc(Cl)c1Cl)N1CCCC1 526842502 FZRHVEHPZGEOEA-FQEVSTJZSA-N 354.686 3.518 0 40 FHAB Cc1ccc(C2(CNC(=O)[C@@H](C)n3ccnc3C(C)C)CCOCC2)cc1 19208645 BOGSRJHVNYEVPJ-GOSISDBHSA-N 369.509 3.741 0 40 FHAB Cc1ncsc1-c1nnc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)o1 19562917 JISRJTZFKOXWKH-CQSZACIVSA-N 372.425 3.547 0 40 FHAB Cc1cc(C(=O)N2CCCC[C@@H]2C(N)=O)sc1-c1cccc(Cl)c1 102466817 GJCYBNGAOIXLHL-CQSZACIVSA-N 362.882 3.857 0 40 FHAB CCC(=O)NC(=S)Nc1ccc(Cl)c(-c2ccc(C(=O)O)o2)c1 226351168 VIJOEYNACHNLJR-UHFFFAOYSA-N 352.799 3.521 0 40 FHAB CCCN1CCOCCOc2ccc(C(=O)O)cc2Cc2cccc(c2)C1 643583060 LLVAPTQOTMJGAF-UHFFFAOYSA-N 369.461 3.597 0 40 FHAB CC(C)[C@H](Cn1ccnn1)NC(=O)C1(c2ccc(Cl)cc2)CCCC1 575608204 MHYJLISPVMLKSW-KRWDZBQOSA-N 360.889 3.584 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)c1cc(Cl)ccc1OC)CC2 14790139 VYYOYZGMPVBNFM-UHFFFAOYSA-N 361.825 3.564 0 40 FHAB CCN(c1ccc(-c2csc(Nc3ccccn3)n2)cc1)S(C)(=O)=O 22421020 SVDUOBOWPMINCI-UHFFFAOYSA-N 374.491 3.735 0 40 FHAB Cc1cccnc1Nc1cc(C2CCN(Cc3cncn3C)CC2)ccn1 2037709928 SHWXKUUUVJEWIQ-UHFFFAOYSA-N 362.481 3.642 0 40 FHAB COc1cccc(NC(=O)CSc2nnc3ccc4ccccc4n23)c1 2889226 FWQHGAGZHIURPK-UHFFFAOYSA-N 364.430 3.622 0 40 FHAB O=C(O)CCCn1cc(NC(=O)c2sc3ccccc3c2Cl)cn1 4502086 FCVCYIHSMRGXBN-UHFFFAOYSA-N 363.826 3.868 0 40 FHAB Nc1ccc2c(c1)Cc1c-2cc(Br)c(N)c1Br 4822617 GRJOBHKJOGMBTC-UHFFFAOYSA-N 354.045 3.947 0 40 FHAB CCc1ccc(OCCn2c(CN(C)C(C)=O)nc3ccccc32)cc1 7425388 OZILYAJXPMBMIW-UHFFFAOYSA-N 351.450 3.656 0 40 FHAB COc1cccc2cc(C(=O)Nc3nnc(Cc4ccc(F)cc4)o3)oc12 8922164 ADQWGSCXRWYUOA-UHFFFAOYSA-N 367.336 3.807 0 40 FHAB CCOc1ccc(-c2nc(NC(=O)CSC(C)=O)sc2C)cc1 9320656 IIKYHWGDZFWFTK-UHFFFAOYSA-N 350.465 3.735 0 40 FHAB Cc1nc(-n2cccc2)sc1C(=O)NCc1cc(-c2cccs2)on1 36662377 GZCZFFKBGPHHFK-UHFFFAOYSA-N 370.459 3.889 0 40 FHAB C[C@@H]1Oc2ccccc2N(Cc2nc(-c3ccc(Cl)c(F)c3)no2)C1=O 44166317 BKAJNOLGDYCUQG-JTQLQIEISA-N 373.771 3.843 0 40 FHAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)/C=C/c3ccco3)ccc21 49507158 HNAVAHGVRMNUCT-CSKARUKUSA-N 354.406 3.703 0 40 FHAB CN(C)[C@H](CNC(=O)COc1ccccc1F)c1csc2ccccc12 575621645 QAENRRLMWRYWBA-QGZVFWFLSA-N 372.465 3.838 0 40 FHAB CSc1ccc(C(=O)N2Cc3ccccc3[C@H](c3cnn(C)c3)C2)cc1 585410294 ZHIITBINQXANHN-FQEVSTJZSA-N 363.486 3.930 0 40 FHAB COc1ccc(Nc2nc(N3CCCCCC3)nc3nccnc23)cc1 9074348 CSEACSGZYPJGQA-UHFFFAOYSA-N 350.426 3.552 0 40 FHAB Cc1ccc(-c2ccc(S(=O)(=O)NC3(C(=O)O)CCCCC3)cc2)cc1 36293876 OKGHNAAEMJPJOG-UHFFFAOYSA-N 373.474 3.728 0 40 FHAB CC(=O)Nc1cccc(Nc2nnc(SCc3ccccn3)s2)c1 32779005 ZRRULRCNOVMDCU-UHFFFAOYSA-N 357.464 3.927 0 40 FHAB CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc2oc(C)nc2c1 32804872 CTYASHBQVHFEIH-UHFFFAOYSA-N 358.419 3.572 0 40 FHAB Cc1cc(C(=O)CN2C[C@H](C)O[C@@H](C)C2)c(C)n1Cc1ccc(F)cc1 21670635 VJUKMIUSNSULKY-HOTGVXAUSA-N 358.457 3.584 0 40 FHAB CC[C@H](NC(=O)N[C@H]1CCCN(CC)C1)c1ccccc1OC(F)F 52526921 WAAUDJCZRCGXOQ-ZFWWWQNUSA-N 355.429 3.523 0 40 FHAB CN1CCCC[C@H]1CCSc1ncnc2c1cnn2-c1ccccc1 32911212 WRMAKVHCEDVIRT-HNNXBMFYSA-N 353.495 3.782 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)c1 814031 IHXLFXSLXGLVBE-UHFFFAOYSA-N 371.418 3.524 0 40 FHAB O=C1c2cccc3c(Br)ccc(c23)C(=O)N1c1ccccn1 826815 JXGAQAMLCDMRQW-UHFFFAOYSA-N 353.175 3.798 0 40 FHAB CCOC(=O)c1c(NC(=O)c2cccc(OC(C)=O)c2)sc2c1CCC2 975671 XGIJUIYHDPWBQZ-UHFFFAOYSA-N 373.430 3.591 0 40 FHAB CC[C@]1(C)Cc2c(sc3nc(SC)nc(SCC(=O)O)c23)CO1 2226739 XZLJJDFKHVRJKZ-OAHLLOKOSA-N 370.521 3.831 0 40 FHAB CCOCCCNc1ncc2c(n1)C[C@@H](c1ccccc1Cl)CC2=O 2428823 LGEVRUWQAHPVOK-CYBMUJFWSA-N 359.857 3.881 0 40 FHAB COCCNC(=O)c1c(C)c(-c2ccc(OC)cc2)nc2ccccc12 2752498 SWZBDAWBLZQMRK-UHFFFAOYSA-N 350.418 3.595 0 40 FHAB Cc1ccc(NC(=O)COc2ncnc3ccccc23)c(Br)c1 3317413 BKJGWMBQUQOLCD-UHFFFAOYSA-N 372.222 3.718 0 40 FHAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)Cn1cnc2ccccc21 3359161 NKFJEFXOAFBEQY-HNNXBMFYSA-N 365.433 3.732 0 40 FHAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3Cl)n2)cc1 3453848 BQODTXLMGDMBQZ-UHFFFAOYSA-N 374.853 3.865 0 40 FHAB Cc1cccc(Cn2c(C)nc3c(NS(C)(=O)=O)c(C)c(C)cc32)c1 3997587 KVKMHSNSYUJJTM-UHFFFAOYSA-N 357.479 3.690 0 40 FHAB O=C(c1ccc2c(c1)OCO2)N1CCN=C1SCc1cccc(Cl)c1 4120617 GLUABTFXSQZTRI-UHFFFAOYSA-N 374.849 3.814 0 40 FHAB COC(=O)c1ccsc1NC(=O)COc1ccc(Cl)cc1Cl 4275696 IJWWSZWFUDEPJF-UHFFFAOYSA-N 360.218 3.859 0 40 FHAB O=C(NCc1cccs1)c1ccc(-n2cc(Br)cn2)cc1 4789124 IQGCJMDCMILJHO-UHFFFAOYSA-N 362.252 3.626 0 40 FHAB CCC(=O)N1c2ncnn2[C@@H](c2ccc(OC)cc2)C[C@@H]1c1ccccc1 4816726 UEEUOSYDHGGHLW-RTBURBONSA-N 362.433 3.764 0 40 FHAB CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@H]1c1cc(OC)ccc1OC 4910070 VBKHRQYFUPKFHT-LJQANCHMSA-N 367.405 3.642 0 40 FHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc2c(c1)OCO2 4962810 JPUQYPULZQTDSH-FRFSOERESA-N 362.422 3.576 0 40 FHAB Cc1cc(C)cc(C(=O)N(c2cc(C)cc(C)c2)[C@H]2C=CS(=O)(=O)C2)c1 5082365 SDPMMTVUWNSYMA-IBGZPJMESA-N 369.486 3.878 0 40 FHAB CCSc1nc2ccc(Br)cc2c(=O)n1Cc1ccco1 6141231 LZDPODLKZQLLFQ-UHFFFAOYSA-N 365.252 3.912 0 40 FHAB Cc1cc(F)ccc1C(=O)Nc1cccc(I)c1 6233192 ZHSGRNMQXWGDHS-UHFFFAOYSA-N 355.150 3.991 0 40 FHAB CCCN1C(=O)S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O 6629577 IMRPFYSTEYWXSV-RVDMUPIBSA-N 357.391 3.832 0 40 FHAB CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@H]1c1ccc(F)cc1F 6820057 PRUIVCBEASEMRK-HNNXBMFYSA-N 351.393 3.822 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2cccnc2)c2ccccc2)c1 7042583 JGMGNBOQSVFIHN-HXUWFJFHSA-N 374.396 3.821 0 40 FHAB COc1ccc(CC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 7447627 SVVIETRAZPUGKY-UHFFFAOYSA-N 352.478 3.540 0 40 FHAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(Cl)ccc1F 7522630 MJVMPOWOWOJSGW-UHFFFAOYSA-N 372.179 3.937 0 40 FHAB Cc1cc(C)c2nc(NC(=O)c3ccc(CS(C)(=O)=O)cc3)sc2c1 7771477 OWHMDQMNITZNKH-UHFFFAOYSA-N 374.487 3.710 0 40 FHAB Cc1ccc(C)c(N2C[C@H](C(=O)Oc3cccc4cccnc34)CC2=O)c1 7928919 AWSANWCFQFFEKD-QGZVFWFLSA-N 360.413 3.810 0 40 FHAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccccc1 8310336 HVGHBHZXZVMVPT-GOSISDBHSA-N 352.434 3.624 0 40 FHAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)N1CCOCC1 8778415 BUVMKDRYSPTXPV-UHFFFAOYSA-N 370.399 3.905 0 40 FHAB CCNC(=S)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 8829041 UGSSGHAQAQUIHZ-UHFFFAOYSA-N 357.523 3.784 0 40 FHAB O=C(NC(=S)NC1CCCC1)c1ccc(OCc2ccccc2)cc1 9140196 FVKGRKGXYPEMHG-UHFFFAOYSA-N 354.475 3.813 0 40 FHAB CC1CCN(C(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)CC1 9336114 YNQRTOLRHMOHGA-AWEZNQCLSA-N 372.412 3.767 0 40 FHAB C[C@@H](NC(=O)COc1ccc(Br)cc1)c1nc2ccccc2[nH]1 9364780 COQWVFORJAIGDA-LLVKDONJSA-N 374.238 3.582 0 40 FHAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC[C@H]1c1nc2ccccc2[nH]1 9419352 WFDVXILVBNDVQA-VMSUTVGLSA-N 361.401 3.669 0 40 FHAB CC(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2C)cc1 10031117 JTRWCKPFNMTUBM-UHFFFAOYSA-N 362.223 3.978 0 40 FHAB COC(=O)[C@H](Sc1nnc(NC2CC2)s1)c1ccccc1Cl 10214099 YSJRZWRVLXTFFZ-LLVKDONJSA-N 355.872 3.772 0 40 FHAB COc1ccc(OCc2nnc3sc(-c4cccc(C)c4)nn23)cc1 10312272 FUSPWWXBEOGUOK-UHFFFAOYSA-N 352.419 3.749 0 40 FHAB CCc1ccc(NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 10328606 PZPQLSAKNZQEEQ-MRXNPFEDSA-N 374.506 3.659 0 40 FHAB O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(NC(=O)c2ccco2)cc1 10547957 YBGVJOYMECSGHT-UHFFFAOYSA-N 374.400 3.980 0 40 FHAB CCCOc1ccc(-c2nonc2NC(=O)COc2ccccc2C)cc1 12062737 WITBADNBMBCGIT-UHFFFAOYSA-N 367.405 3.851 0 40 FHAB Cc1ccccc1C1(O)CCN(C[C@H](O)c2ccc3c(c2)CCC3)CC1 12292586 ODKSCRADHGZZPQ-QFIPXVFZSA-N 351.490 3.501 0 40 FHAB O=C(NCCCc1nc2ccccc2[nH]1)c1cc(-c2cccs2)on1 12544651 SLIQXIHLNJACLX-UHFFFAOYSA-N 352.419 3.642 0 40 FHAB CN(Cc1ccc(Cl)cc1Cl)C(=O)CNC(=O)Nc1ccccc1 12749906 STWCCHKAQNDIEI-UHFFFAOYSA-N 366.248 3.774 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)Cc1ccc2c(c1)CCCC2 12808253 HDWYXHXAOGKUKH-UHFFFAOYSA-N 352.434 3.714 0 40 FHAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2nnnn2C2CC2)cc1 12822643 JXVCWENJGKILLU-UHFFFAOYSA-N 353.813 3.510 0 40 FHAB Cn1cc(/C=C(/NC(=O)c2ccccc2)C(=O)N2CCCC2)c2ccccc21 13552854 UHMAVQXJDDBGGX-HMMYKYKNSA-N 373.456 3.572 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 14016364 ROTPPZMSPOXECS-LLVKDONJSA-N 365.364 3.654 0 40 FHAB N#Cc1ccc(N2CCC(C(=O)Nc3ccc(F)cc3Cl)CC2)nc1 14262347 HLFNHYJTVWWXKK-UHFFFAOYSA-N 358.804 3.601 0 40 FHAB CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(Cn3cccn3)cc2)cc1 14407553 RXUKUYNUTOCDGI-UHFFFAOYSA-N 362.433 3.778 0 40 FHAB Cc1nc(C(=O)Nc2ccc(OC(F)F)cc2)nn1-c1ccc(F)cc1 15191857 MLGFEAOYHQNQCZ-UHFFFAOYSA-N 362.311 3.569 0 40 FHAB CC(=O)c1ccc(N2CCN(C(=O)/C=C/c3ccc(F)cc3)CC2)c(F)c1 16110934 XXHIGTTWQIAFKU-RUDMXATFSA-N 370.399 3.529 0 40 FHAB Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)n1 17013471 PUKMNWKIPGGDLL-UHFFFAOYSA-N 365.412 3.986 0 40 FHAB Cc1cccc(-c2cc(CNC[C@H](C)c3ccccc3)c3nnnn3c2)c1 19235288 FLLZCFRGKBHFRY-KRWDZBQOSA-N 357.461 3.993 0 40 FHAB Cc1nc(C)c(CC(=O)NCCc2cn(C)c3ccc(Cl)cc23)s1 19560510 RXHXOQWIJAJWQQ-UHFFFAOYSA-N 361.898 3.806 0 40 FHAB Cc1nc(-c2ccccc2F)sc1C(=O)N[C@H](C)c1cnn(C)c1C 19714415 CMFLXQWQQGGBFM-SNVBAGLBSA-N 358.442 3.791 0 40 FHAB CC1(C)CC(NC(=O)CCc2ncc(-c3ccccc3)o2)CC(C)(C)N1 21473036 MDIFIPSASQFPCE-UHFFFAOYSA-N 355.482 3.700 0 40 FHAB Cc1ccc(-c2noc(CCCC(=O)Nc3nnc(C(C)C)s3)n2)cc1 21524802 HIYDNEQWDQLRRK-UHFFFAOYSA-N 371.466 3.981 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)NC[C@@H](c2ccco2)N2CCCCC2)cc1 22024973 QSXPFVVNUOPVTA-HKUYNNGSSA-N 355.482 3.732 0 40 FHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1 22521471 VSDICTIBFXTJTM-FVJLSDCUSA-N 360.542 3.945 0 40 FHAB CCc1ccc([C@@H](CNC(=O)[C@@H]2Cc3ccccc3S2)N(C)C)cc1 22684695 VKIVSIXNVWEPDR-QUCCMNQESA-N 354.519 3.685 0 40 FHAB COc1cccc(NC(=O)Nc2nccn(-c3cccc(Cl)c3)c2=O)c1 23126855 MNIBBKILEDJLKQ-UHFFFAOYSA-N 370.796 3.539 0 40 FHAB O=C(NCc1cccc(Cn2ccnc2)c1)c1ccccc1C(F)(F)F 24751056 DDRGZUHBNXKIBX-UHFFFAOYSA-N 359.351 3.880 0 40 FHAB CCc1ccc(CN(C)C(=O)[C@H](NC(=O)c2cccs2)C(C)C)cc1 25449402 NPCHFQMCNSCQNN-GOSISDBHSA-N 358.507 3.724 0 40 FHAB CCN(C(=O)c1ccc(CS(C)(=O)=O)cc1)c1nc2ccccc2s1 26907130 QOYQQNODBBFKCR-UHFFFAOYSA-N 374.487 3.508 0 40 FHAB Cc1nc(NC(=O)Nc2ccc(F)c(Cl)c2)sc1C(=O)N(C)C 28305325 BEXRKXLUNBRFEB-UHFFFAOYSA-N 356.810 3.590 0 40 FHAB C[C@@H](c1nnc(-c2cccs2)o1)N1CCN(CCc2ccccc2)CC1 32853375 VYZGRXAXLMUKPP-INIZCTEOSA-N 368.506 3.719 0 40 FHAB CCOC(=O)COc1cccc(NC(=O)c2ccc(F)cc2Cl)c1 33188405 LGOMWPMMLVQEIZ-UHFFFAOYSA-N 351.761 3.673 0 40 FHAB C[C@@H]1CCCN([C@H](c2cccs2)c2nnnn2CCc2ccccc2)C1 33335911 XTBUYGUTNMGODQ-VQIMIIECSA-N 367.522 3.799 0 40 FHAB Cc1cccc(C)c1NC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 35289010 HFKIWIIHJICBMK-UHFFFAOYSA-N 369.440 3.869 0 40 FHAB Cc1cc(C)n(-c2ccccc2NC(=O)c2cncc(Br)c2)n1 36748343 YZLFRTLJROKAIQ-UHFFFAOYSA-N 371.238 3.899 0 40 FHAB COc1ccc(CCNC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 40103668 KTCLCADDWDQGST-UHFFFAOYSA-N 364.829 3.730 0 40 FHAB CN(c1ccccc1)c1ccccc1NC(=O)CCNC(=O)c1ccco1 40114491 TYXVNUQMMIZVPZ-UHFFFAOYSA-N 363.417 3.806 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)o2)c(Br)c1 40432365 WYFUGVFLAJLDKF-LLVKDONJSA-N 358.257 3.698 0 40 FHAB O=C(NOCc1ccccc1)C1(c2ccc3c(c2)OCCO3)CCCC1 41979087 XGTFDYBUOHHKAV-UHFFFAOYSA-N 353.418 3.518 0 40 FHAB Cc1cc(OCC(=O)Nc2cccc(C)c2C)nc(N2CCC[C@@H](C)C2)n1 44168359 AJOYQJFSVHOLQU-CQSZACIVSA-N 368.481 3.656 0 40 FHAB COc1ccccc1[C@H](C)N(C)C(=O)NC[C@@H]1COc2ccccc2C1 45128958 LQYJGXVBNTYJMQ-JKSUJKDBSA-N 354.450 3.649 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)NCc2cccc(CN3CCCC3)c2)cc1 46374922 CMRNBHXEYXUJCT-SFHVURJKSA-N 352.478 3.675 0 40 FHAB c1cnc(-c2nc(CN(Cc3cccs3)C[C@@H]3CCCO3)cs2)nc1 48344838 KZBWSZNAFISEPI-HNNXBMFYSA-N 372.519 3.843 0 40 FHAB c1ccc(Cn2cc(-c3cnn(Cc4ccc5c(c4)OCO5)c3)cn2)cc1 49604847 NCADRXCMDYUNFN-UHFFFAOYSA-N 358.401 3.572 0 40 FHAB O=C(Nc1ccc(F)cc1)[C@@H](Sc1nccc(O)n1)c1ccccc1 51353959 LIFVSXVAZIXXMW-INIZCTEOSA-N 355.394 3.793 0 40 FHAB O=C(CSCc1ccccc1)Nc1ccccc1C(=O)N1CCCC1 51529152 YVOJVQAIUALCOX-UHFFFAOYSA-N 354.475 3.795 0 40 FHAB Clc1snnc1CSc1nnc(C2CC2)n1Cc1ccco1 52430804 FBTQGMUEWSJCIG-UHFFFAOYSA-N 353.860 3.594 0 40 FHAB COc1ccc(CNC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)cc1OC 54446797 JLEFCSVMYSODTO-UHFFFAOYSA-N 371.824 3.677 0 40 FHAB CC1CCN([C@@H](C)CNC(=O)CCCc2nc3ccccc3s2)CC1 58159276 QKYHWZYZOHNFAJ-INIZCTEOSA-N 359.539 3.856 0 40 FHAB CCC[C@@H]1CCCN(C(=O)NCC(=O)Nc2ccc(OCC)cc2)CC1 58394381 KQMIZYDPRFOLOG-MRXNPFEDSA-N 361.486 3.636 0 40 FHAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)/N=c3/[nH]c4ccccc4s3)c12 61721588 QVWJVUGRJLYXIC-UHFFFAOYSA-N 365.462 3.684 0 40 FHAB N[C@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1 72227313 UEDMXCGMYMFLHW-KGLIPLIRSA-N 351.631 3.518 0 40 FHAB N[C@H]1C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 72227961 NEAYWWIENOCPQR-KGLIPLIRSA-N 351.631 3.518 0 40 FHAB O=C(NOCc1ccccc1)c1cc(Cl)cc(Br)c1O 72311851 XGINTWZPHYUKQJ-UHFFFAOYSA-N 356.603 3.670 0 40 FHAB COc1ccc(OCCCNc2ccc(-n3nc(C)cc3C)cn2)cc1 76093089 MRMYXSNZSMYNAN-UHFFFAOYSA-N 352.438 3.774 0 40 FHAB O=C(Nc1ccn(Cc2ccccn2)n1)[C@H]1CCC[C@H](C(F)(F)F)C1 84610179 GSBPHTVINRSSQR-STQMWFEESA-N 352.360 3.634 0 40 FHAB O=C(NCCc1nc2c(s1)CCCC2)c1cnc(-c2ccoc2)s1 89885153 WDCYTJXMUIJFHV-UHFFFAOYSA-N 359.476 3.711 0 40 FHAB CCC(CC)(CNCC(=O)N[C@@H](C)c1cccc2ccccc12)C(=O)OC 89943045 VJQDMWRJKZELIN-INIZCTEOSA-N 370.493 3.586 0 40 FHAB Cc1ccc([C@H]2CCCCCN2C(=O)c2ncn(-c3ccccc3)n2)o1 92355446 PCIUQXNHWSGJSA-QGZVFWFLSA-N 350.422 3.926 0 40 FHAB CC(=O)c1ccc(N2CCN(Cc3cc(-c4ccco4)on3)CC2)c(F)c1 95401339 JHNULPZZGFJNRY-UHFFFAOYSA-N 369.396 3.599 0 40 FHAB O=C(OC[C@@H]1CO[C@@H](c2ccc(Cl)cc2)O1)c1cccnc1Cl 95448042 OZKDOJINVUWBPS-MLGOLLRUSA-N 354.189 3.659 0 40 FHAB Cc1nc(C(C)C)c(-c2nn3c(Cc4c(C)noc4C)nnc3s2)s1 95472975 FHLKNQMQHIBTHX-UHFFFAOYSA-N 374.495 3.937 0 40 FHAB c1cncc(COC[C@]23CCCO[C@@H]2CCN(Cc2cccs2)C3)c1 96040085 QBORJASJTLBCMH-WOJBJXKFSA-N 358.507 3.731 0 40 FHAB Cc1ccc(CN2CCC3(CC[C@H]3NC(=O)c3ccn(C)c3)CC2)s1 96051697 XIGJNUXPMPKGDF-GOSISDBHSA-N 357.523 3.570 0 40 FHAB CC1(C)OC(=O)C[C@@H]1C(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 96222701 HGMWWOGODPZXFL-GFCCVEGCSA-N 355.419 3.572 0 40 FHAB biogenic c1ccc(OCCNC2CCN(c3nc4ccccc4s3)CC2)cc1 97596029 JSTQBJWIPHEGLD-UHFFFAOYSA-N 353.491 3.934 0 40 FHAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N[C@H](C)c1ccc(F)c(F)c1 97656370 YWPSUPQDTWZJNP-JLTOFOAXSA-N 374.431 3.526 0 40 FHAB Clc1cccc(CN2C[C@H]3CCC[C@H](C2)C3N2CCOCC2)c1Cl 100214042 YKGLZZKVLQIVQY-HZPDHXFCSA-N 369.336 3.926 0 40 FHAB CC[C@@H](NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)C12CC3CC(CC(C3)C1)C2 102439741 ZIKIKSLUCHHXPD-XHQGFYGNSA-N 357.494 3.621 0 40 FHAB Cc1nc(CN2CCC(C(=O)N3CCc4c(C)cccc43)CC2)cs1 109264064 WOSDEOUFRWAGFZ-UHFFFAOYSA-N 355.507 3.561 0 40 FHAB O=C(Cc1ccccc1F)Nc1ccccc1C(=O)NCc1ccco1 198128788 AAFFXKJMBZPEEF-UHFFFAOYSA-N 352.365 3.530 0 40 FHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1ccccc1 219490327 RCJCGRVCKJNKCN-KDOFPFPSSA-N 355.434 3.881 0 40 FHAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2OC)c(C)c1 219497692 OSDLZRMCYGLDLQ-CQSZACIVSA-N 357.406 3.586 0 40 FHAB C[C@H]1C[C@@H](C)CN(CCNC(=O)Cc2ccc(-c3ccccc3)cc2)C1 224979366 IWRPOGDZLVBZHH-KDURUIRLSA-N 350.506 3.990 0 40 FHAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 225796267 ZFNKJMNIIHQJIX-IBGZPJMESA-N 351.443 3.652 0 40 FHAB CCCOC(C)(C)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 225837471 GBLNVIITZVQMDN-UHFFFAOYSA-N 351.443 3.652 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CCOCC1 225843728 QBHJGASOFALKRO-UHFFFAOYSA-N 353.418 3.550 0 40 FHAB C[C@@]12C=C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]12 226627739 TZAFNFPJXKADMZ-VZAMPYOESA-N 371.742 3.582 0 40 FHAB O=C(CN1CCC[C@H]2CCCC[C@H]21)Nc1cc(Cl)ccc1-n1cncn1 229988911 OVSPXCMOPYZHSQ-RHSMWYFYSA-N 373.888 3.514 0 40 FHAB C[C@@]1(c2ncc(Cc3ccccc3)o2)CCCN(C(=O)c2ccccn2)C1 257265531 LZATVEMUDOJVPC-JOCHJYFZSA-N 361.445 3.854 0 40 FHAB Cc1cc(Nc2ccccn2)cc(C2CCN(Cc3cnn(C)c3)CC2)n1 257331097 XRIMKRUQZYYKSP-UHFFFAOYSA-N 362.481 3.642 0 40 FHAB C[C@@H](NC(=O)Nc1ccc2c(c1)COC2)[C@H]1CCN(Cc2ccccc2)C1 376823526 PLZXBKPWLRYIOO-AEFFLSMTSA-N 365.477 3.749 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)CSCc2ccc(OC)cc2)c1 408927551 XCEAWFJJVDKCSG-UHFFFAOYSA-N 359.447 3.662 0 40 FHAB CCCN1C(=O)/C(=C\c2ccccc2OCC(=O)OC)c2ccccc21 409137523 XWBFLUCHXFGLKI-LGMDPLHJSA-N 351.402 3.536 0 40 FHAB COC(=O)c1cccc2c1N[C@@H](c1cccc(OC)c1OC)[C@H]1CCO[C@@H]21 409189925 NQQRWCAHFIXXAR-LJHODMEESA-N 369.417 3.735 0 40 FHAB CCCCNC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 409355989 FXFLVMMCQLEYMV-UHFFFAOYSA-N 374.506 3.645 0 40 FHAB O=C(c1nccc2ccccc12)N1CCc2c(cnn2-c2ccccc2)C1 531221054 BGJSWSWDCHCNKK-UHFFFAOYSA-N 354.413 3.619 0 40 FHAB c1cc2c(cc1-c1noc([C@H]3C[C@@H]3c3ccc4c(c3)OCCO4)n1)OCO2 546981173 LSNGEIUYTXATKF-KGLIPLIRSA-N 364.357 3.508 0 40 FHAB C[C@H](N=c1[nH]nc(-c2ccon2)s1)c1ccc(OC(F)(F)F)cc1 553242819 KVGIQKZKLNLYGL-QMMMGPOBSA-N 356.329 3.687 0 40 FHAB Cc1ccc2nc([C@@H]3CCCN(c4nccc(-c5cnccn5)n4)C3)[nH]c2c1 560212044 AKGCSKUMEMNRLU-OAHLLOKOSA-N 371.448 3.502 0 40 FHAB OCc1ccc(CNCC2(c3ccccc3Br)CCC2)o1 568070399 CWBAJLIDRXHQMX-UHFFFAOYSA-N 350.256 3.746 0 40 FHAB Cn1cncc1C(=O)N1CCC[C@]1(C)Cc1ccc(OC(F)(F)F)cc1 585113727 WFAFEYPDPIGLOZ-QGZVFWFLSA-N 367.371 3.556 0 40 FHAB C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)n[nH]2)CCc2ccc(Cl)cc21 652786470 NHCIWOAHTAMHRO-SECBINFHSA-N 357.763 3.884 0 40 FHAB Cc1ccc(N[C@H]2COC3(CCC3)C2)cc1NC(=O)CN1CCCCC1 657959082 FBDMWDLHAHHLQM-GOSISDBHSA-N 357.498 3.543 0 40 FHAB COc1cc(NC(=O)c2cc(-c3ccccc3)ccn2)ccc1NC(C)=O 1534095846 ZRRYLQDRLUBULH-UHFFFAOYSA-N 361.401 3.968 0 40 FHAB CCC[C@@H](C)c1cc(NC(=O)c2ccc3c(c2)nc(O)n3C2CC2)n[nH]1 1631047171 JCCQITBAXIHIAA-LLVKDONJSA-N 353.426 3.956 0 40 FHAB CC(C)C(=O)N1CCC[C@H]2CN(C(=O)c3cccc4c3CCCC4)CC[C@H]21 1775990802 HONODSWXACYYQJ-GHTZIAJQSA-N 368.521 3.675 0 40 FHAB FC(F)(F)c1ccc(N2CC[C@@H](COc3ccc(C4CC4)nn3)C2)cn1 1888850058 BOXUSJNIGPPYKW-GFCCVEGCSA-N 364.371 3.673 0 40 FHAB COc1cc(C(=O)O[C@H](C)CN2[C@@H](C)CCC[C@H]2C)cc(OC)c1OC 802594 IFISOMHXZPOZTF-QLFBSQMISA-N 365.470 3.521 0 40 FHAB CC(=O)Nc1ccc2nc(NC(=O)COc3cccc(C)c3)sc2c1 814046 CDAQCNCLEZRSCI-UHFFFAOYSA-N 355.419 3.581 0 40 FHAB Cc1ccccc1OCC(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3 943436 NGQJQXQGYXVNNB-UHFFFAOYSA-N 350.370 3.575 0 40 FHAB CN(C(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1)c1ccccc1 2439510 FZHUQFSKCOYHTM-UHFFFAOYSA-N 369.424 3.877 0 40 FHAB COc1ccc(/C=C/C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)cc1 3178953 BDEKRAAFNLQIJJ-LHDXCKJESA-N 362.473 3.851 0 40 FHAB COc1cc(OC)c(N[C@H](C)C(=O)N(C)C2CCCCC2)cc1Cl 3346175 MJHIZHMBNCMXAK-GFCCVEGCSA-N 354.878 3.949 0 40 FHAB C[C@@H](O)c1nc2ccccc2n1Cc1nnc(-c2ccc(Cl)cc2)o1 3406042 SAPOCDSZEOUDOK-LLVKDONJSA-N 354.797 3.841 0 40 FHAB Cc1noc(C)c1C(=O)OCC(=O)Nc1ccc(-c2ccccc2)cc1 3564147 OZIHDUYCDDOEAK-UHFFFAOYSA-N 350.374 3.754 0 40 FHAB CC(C)(C)c1cnnn1-c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 3582145 ZQWNLIIHVMQUSF-UHFFFAOYSA-N 364.405 3.546 0 40 FHAB C=C1c2cc(OC)c(OC)cc2CCN1C(=O)/C=C/c1cccc(OC)c1 4086403 MFSWNRCVKIZJCI-CMDGGOBGSA-N 365.429 3.781 0 40 FHAB biogenic CCCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 4188361 OTLUDXHDCJYXCB-LVYXFOGZSA-N 355.434 3.569 0 40 FHAB CCOC(=O)c1sc2nc(C)cc(COC)c2c1NC(=O)c1ccco1 4707388 SMSJPCRZXWUQFI-UHFFFAOYSA-N 374.418 3.773 0 40 FHAB CCOc1cccc2sc(N(CCCN(C)C)C(=O)c3ccco3)nc12 5122393 NPWQCBLZMOZDGE-UHFFFAOYSA-N 373.478 3.887 0 40 FHAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3F)o2)c1 5294824 RMZKTFIRHCPNFJ-UHFFFAOYSA-N 373.409 3.827 0 40 FHAB CCc1ccc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1 5439626 QIOHFBSEJUDBQM-UHFFFAOYSA-N 372.490 3.740 0 40 FHAB CCOc1ccccc1/C=C/C(=O)OCC(=O)Nc1cc(C)ccc1C 6010546 LCEZSSNTWCKTSK-VAWYXSNFSA-N 353.418 3.897 0 40 FHAB C[C@H]1CCN(C(=O)CSc2nnc3ccccn23)c2ccccc2S1 6114803 CHEOXACHRMLSSL-ZDUSSCGKSA-N 370.503 3.739 0 40 FHAB O=S(=O)(Nc1ccccc1Br)c1ccc(Cl)s1 6502396 YWJAFQOQLNIZSO-UHFFFAOYSA-N 352.662 3.965 0 40 FHAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2cccnc2Cl)cc1 6588431 RZVJETOTJZGQPU-UHFFFAOYSA-N 354.841 3.928 0 40 FHAB CCCCCOc1ccc(NC(=O)C(=O)NCc2cccc(OC)c2)cc1 6597424 VJMXDULVPSNFDR-UHFFFAOYSA-N 370.449 3.519 0 40 FHAB CCOc1ccc(-c2nnc(NC(=O)CCOc3cccc(C)c3)o2)cc1 6880171 OJJKCULPUVBVLE-UHFFFAOYSA-N 367.405 3.851 0 40 FHAB O=C(Cc1ccc(Br)cc1)OCC(=O)c1c[nH]c2ccccc12 6886671 ITZRLMSMTHHOCT-UHFFFAOYSA-N 372.218 3.899 0 40 FHAB Cc1cc(N)nc(S[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)n1 7048856 OHKNEHGEDQAUBO-SECBINFHSA-N 356.373 3.505 0 40 FHAB Cc1cc(Cl)ccc1NC(=O)COc1ccc(N2CCCC2=O)cc1 7062895 HJVKJLHHFATFTR-UHFFFAOYSA-N 358.825 3.793 0 40 FHAB O=S(=O)(c1ccc(Oc2cc(Cl)ccc2Cl)nc1)N1CCCC1 7365226 VCAXYWLIIVMBPK-UHFFFAOYSA-N 373.261 3.965 0 40 FHAB Cc1cc(C(=O)O[C@H](C)C(=O)NCCC2=CCCCC2)c(C)n1C1CC1 7575507 HGRDKBQJYXSKCV-MRXNPFEDSA-N 358.482 3.992 0 40 FHAB CCCCn1c(=O)c2ccccc2n2c(SCc3ccccn3)nnc12 9112641 DCMBHJJZFGFBHQ-UHFFFAOYSA-N 365.462 3.532 0 40 FHAB COc1ccc(CSCc2cc(=O)n3c(C)csc3n2)cc1F 9548942 ADEBPUSBIAOYBJ-UHFFFAOYSA-N 350.440 3.646 0 40 FHAB Cc1c(C(=O)O)sc2nc(/C(Cl)=C/c3cccc(F)c3)[nH]c(=O)c12 9689984 HMLZNVVPKFCZJS-POHAHGRESA-N 364.785 3.867 0 40 FHAB CCN(CC)C(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 10313862 YPWDFHYLVDPCCB-UHFFFAOYSA-N 360.479 3.586 0 40 FHAB O=C(/C=C/c1ccc2c(c1)CCO2)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10546963 IFZBKQGYOWNCCT-XSFOEPMVSA-N 373.456 3.917 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)OC(=O)CCSc2ccc(Cl)cc2)on1 11002852 FXENGTAAMUOZPH-LLVKDONJSA-N 368.842 3.689 0 40 FHAB CC(C)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1 12543146 VHBRSEPNNTWDIP-UHFFFAOYSA-N 371.444 3.680 0 40 FHAB CCSc1nnc(NC(=O)Cc2cc(-c3ccc(C)cc3)on2)s1 12863187 QTZPWKUWAXDVFQ-UHFFFAOYSA-N 360.464 3.795 0 40 FHAB CCOc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)cc1 12906914 SWJXABGGJYKJNH-INIZCTEOSA-N 358.463 3.780 0 40 FHAB Cc1c(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)oc2ccccc12 13295224 IGQOXXHMKKVDPK-UHFFFAOYSA-N 370.430 3.533 0 40 FHAB C[C@@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1ccc(Cl)cc1Cl 13571973 NYHCAVZYJBHSOH-SSDOTTSWSA-N 368.249 3.779 0 40 FHAB Cc1ccc(CCCNS(=O)(=O)Cc2c(F)cccc2Cl)cc1 13612418 CTVCKLBAVRJWTN-UHFFFAOYSA-N 355.862 3.840 0 40 FHAB O[C@@]1(c2ccc(OC(F)F)cc2)C[N+]2=C(CCCCC2)N1c1ccccc1 13765750 YFVAFEYZJQWCGY-OAQYLSRUSA-N 373.423 3.938 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)c1 13995921 HUTQFPWABUAJAQ-MRXNPFEDSA-N 352.434 3.637 0 40 FHAB O=C(NCc1ccccc1F)c1cnn(-c2ccccc2)c1C(F)(F)F 14092756 LJSMONLTWIYTKB-UHFFFAOYSA-N 363.314 3.960 0 40 FHAB C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)NC1CCCCC1 14117919 DNGRZTXMZLRPRZ-LLVKDONJSA-N 366.512 3.673 0 40 FHAB CCc1ccccc1NC(=O)CNC(=O)[C@H](C)Sc1ccc(C)cc1 14159505 ZWUKVUMDKKIIKY-HNNXBMFYSA-N 356.491 3.793 0 40 FHAB Cc1cc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)cc(C)c1Cl 14632491 PXTHGWWIUALZDX-KBPBESRZSA-N 369.845 3.798 0 40 FHAB in-vitro Cc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(c2cccc(Cl)c2)C3)cc1 15081254 FOWMFMWTVTXGIS-GOSISDBHSA-N 367.836 3.645 0 40 FHAB CCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nc2ccccc21 15421830 CDQQDOALTJCJQN-UHFFFAOYSA-N 368.462 3.745 0 40 FHAB COc1cc(OC)c(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(OC)c1 16194660 ANFOUMQFXPVCQH-GZTJUZNOSA-N 371.414 3.953 0 40 FHAB Cc1ccc2nc3sc(C(=O)Nc4ccc(F)cc4)cc3c(=O)n2c1 17122461 XNQBXZNZZIBJQI-UHFFFAOYSA-N 353.378 3.609 0 40 FHAB Cc1ccc([C@H](NC(=O)CCN2CCCC[C@@H]2C)c2cccnc2)cc1 19136637 DSPBPKLMHZTKCQ-AVRDEDQJSA-N 351.494 3.860 0 40 FHAB CCn1nc(C(C)C)cc1C(=O)NCCc1nc2cc(Cl)ccc2[nH]1 19524131 IVBYXEWDJKQUPT-UHFFFAOYSA-N 359.861 3.529 0 40 FHAB COc1cccc(CN2CCN(C(=O)Nc3ccc4c(c3)CCC4)CC2)c1 20274208 YKZUGCSYODLILH-UHFFFAOYSA-N 365.477 3.534 0 40 FHAB O=C(Cn1ccc2ccc(Br)cc21)NCCc1ccccc1 20734134 QOWDCJOHVAAQHD-UHFFFAOYSA-N 357.251 3.763 0 40 FHAB CCOc1cc(CNCCN(C)C)ccc1OCc1ccc(Cl)cc1 22075367 QVSYBVCGVWNDNE-UHFFFAOYSA-N 362.901 3.969 0 40 FHAB Cc1cccc(C)c1N(CC(=O)Nc1ccc(C(C)C)cc1)S(C)(=O)=O 22273716 MYQMWAZVEHUPFX-UHFFFAOYSA-N 374.506 3.832 0 40 FHAB Cc1nn(C)c2ncc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)cc12 22472959 DGUDLYFJPWLFMG-UHFFFAOYSA-N 372.432 3.592 0 40 FHAB CCc1nc2sc([C@@H](c3ccc(C)cc3)N3CCCCC3)c(O)n2n1 22853083 NPUMRJIJMMRYSM-MRXNPFEDSA-N 356.495 3.943 0 40 FHAB Cc1ccc(C(=O)O[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)cn1 23519422 ZRLLSDCXDNCYAH-CQSZACIVSA-N 373.478 3.758 0 40 FHAB COc1ccc(CNC(=O)Nc2ccc(OC)c(OC(F)F)c2)cc1 25228903 CLECHXJEDWYLNR-UHFFFAOYSA-N 352.337 3.627 0 40 FHAB COc1cc(CN[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc(OC)c1 26312750 ZIMCMFXIFSDIDA-OAQYLSRUSA-N 357.450 3.962 0 40 FHAB C[C@@H](NC(=O)c1ccccc1SCC(=O)N1CCCC1)c1ccccc1 26984172 YYMVOADZCASSBG-MRXNPFEDSA-N 368.502 3.892 0 40 FHAB COc1ccc([C@@H](CNC(=O)Cc2ccccc2)N2CCCCCC2)cc1 27793780 PNCCWXWMKIAPOP-JOCHJYFZSA-N 366.505 3.971 0 40 FHAB biogenic Cc1cccc(NC(=O)c2ccc(Cn3nc(C(F)(F)F)cc3C)o2)n1 27934871 KHDHBYSOGRFDLV-UHFFFAOYSA-N 364.327 3.807 0 40 FHAB O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN1C(=O)c1ccoc1 33134491 LWAOMWYUPIMIHZ-CQSZACIVSA-N 353.205 3.830 0 40 FHAB COc1cc2c(cc1O)CCN(CC(=O)c1c(C)[nH]c3ccccc13)[C@H]2C 37243395 UIDIDRUAVRZRAM-AWEZNQCLSA-N 364.445 3.993 0 40 FHAB biogenic CN(CCCN1C(=O)c2ccccc2C1=O)Cc1c(F)cccc1Cl 39985876 HUFHZMNKDCKOCC-UHFFFAOYSA-N 360.816 3.597 0 40 FHAB Cc1nc(C(C)C)sc1C(=O)N1CCCN(Cc2cccs2)CC1 40094087 PTBLJRHFFNSHSJ-UHFFFAOYSA-N 363.552 3.985 0 40 FHAB CCOc1ccc2cc(S(=O)(=O)NCCc3ccccc3)ccc2c1 41092018 JSAYMGAIGJBHRG-UHFFFAOYSA-N 355.459 3.760 0 40 FHAB Cc1ccc(C)c(C(=O)NCC2CCN(C(=O)/C=C/c3ccco3)CC2)c1 44001894 XKPUCMOMXYKWSU-BQYQJAHWSA-N 366.461 3.578 0 40 FHAB CC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)NC2CCCC2)s1 44889650 MVVZQGDTVMPCSP-UHFFFAOYSA-N 357.479 3.677 0 40 FHAB CC(C)Oc1ccc(CNC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 44902613 OZTWZJNJEDHGRQ-UHFFFAOYSA-N 374.440 3.904 0 40 FHAB O=C(Cn1cnc2c(sc3ccccc32)c1=O)Nc1cc(F)ccc1F 45942823 KOPTVYSGKZOHTR-UHFFFAOYSA-N 371.368 3.528 0 40 FHAB CC(C)c1ccc([C@H](C)NC(=O)CCn2cnc3ccccc3c2=O)cc1 46577351 IKELJJAATGYBIU-INIZCTEOSA-N 363.461 3.787 0 40 FHAB O=C(NCCSc1ccccc1)c1ccc2c(O)[nH]c(=S)nc2c1 47932403 WOPKYOKBNYBUNZ-UHFFFAOYSA-N 357.460 3.520 0 40 FHAB C[C@@H](CNC(=O)Nc1cccc(Cn2ccnc2)c1)N(C)c1ccccc1 48354512 VUYJZTOKBTYQPA-KRWDZBQOSA-N 363.465 3.578 0 40 FHAB FC(F)(F)c1cccc(-c2noc(CN3CCO[C@H]4CCCC[C@@H]43)n2)c1 51994238 HJGPLAFDKLXFQW-GJZGRUSLSA-N 367.371 3.899 0 40 FHAB O=S(=O)(c1cc(F)ccc1F)N1CCCC[C@H]1Cc1ccccc1 60343313 YAIKOEABUFUIGA-INIZCTEOSA-N 351.418 3.751 0 40 FHAB Cc1[nH]ncc1-c1nn2c(-c3cc(Cl)ccc3Cl)nnc2s1 61719082 NITLXHUNWFQAKD-UHFFFAOYSA-N 351.222 3.858 0 40 FHAB CCOc1ccc(CC(=O)NC2(c3nc(CC)no3)CCCCC2)cc1 65257753 LGRXSCRZVREASB-UHFFFAOYSA-N 357.454 3.549 0 40 FHAB Cc1nn2c(nc(N3CCCN4CCC[C@@H]4C3)c3ccccc32)c1Cl 65537203 ZXBWZMUSPRWYCP-CQSZACIVSA-N 355.873 3.519 0 40 FHAB Cc1cccc(Cn2c(=O)n(-c3ccccc3F)c(=O)c3sccc32)c1 67258190 LXJKXXKVKMQVKQ-UHFFFAOYSA-N 366.417 3.710 0 40 FHAB CC(C)c1ccc(CNC(=O)c2n[nH]nc2Nc2ccccc2F)cc1 67283731 PZWAFHXHRPJMLP-UHFFFAOYSA-N 353.401 3.741 0 40 FHAB COc1ccc([C@@H](C)NC(=O)c2cn[nH]c2-c2cccc(OC)c2)cc1 72329255 AUVCNMAGPOMWGH-CYBMUJFWSA-N 351.406 3.585 0 40 FHAB COc1ccc(-c2cnc(N)nc2[C@H]2CCCN(C3CCCC3)C2)cc1 72345883 UTLFRDUQTJDYNQ-INIZCTEOSA-N 352.482 3.856 0 40 FHAB O=C(c1cc[nH]n1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72349804 DDGIHBWZONSMSC-INIZCTEOSA-N 364.424 3.554 0 40 FHAB Cc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)c3ccncc3)C2)c1 72358715 CFFFRFXWRNBNCR-LJQANCHMSA-N 358.445 3.867 0 40 FHAB CC(C)c1ccc(CCC(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 76022050 RBAIBUWTFGHYFM-MOPGFXCFSA-N 365.539 3.557 0 40 FHAB CCN1CC[C@H](N(C)C(=O)Nc2cccc(-n3nc(C)cc3C)c2)[C@H](C)C1 84780025 VAULPUZGMTZBRF-QRWLVFNGSA-N 369.513 3.683 0 40 FHAB C[C@H](NCc1ccc(CN2CCCC2=O)cc1)c1nc2ccccc2n1C 91303799 XDFZNFNECQPUGV-INIZCTEOSA-N 362.477 3.547 0 40 FHAB C[C@@H]1Cc2ccc(Br)cc2[C@H]1NCCSCC(C)(C)O 95451020 FTMJKCAOUVXJHY-ABAIWWIYSA-N 358.345 3.776 0 40 FHAB c1csc(CN2CCC3(CC2)CO[C@H](COCc2ccncc2)C3)c1 96218278 JYSIJIQRSYMJDE-SFHVURJKSA-N 358.507 3.731 0 40 FHAB CCOc1ccc(CC(=O)NC[C@](C)(OC)c2cccc(Cl)c2)cc1 96392508 HXHAGHYYVZCVTC-FQEVSTJZSA-N 361.869 3.959 0 40 FHAB C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)Nc1ccc(F)cc1)c1ccccc1 97123892 STORCDLZBBIJRW-DYVFJYSZSA-N 373.453 3.610 0 40 FHAB O=C(c1cccs1)c1ccccc1C(=O)N(CCO)Cc1ccccc1 97286124 SMMFUFMOXMBUHP-UHFFFAOYSA-N 365.454 3.614 0 40 FHAB O=C(CCC[C@@H](O)c1ccc(F)cc1)N1C(=O)CC[C@@H]1c1ccccc1 213910729 UYCXTKYCCPHMEA-RTBURBONSA-N 355.409 3.920 0 40 FHAB Cc1ccc(CC(=O)NCc2nc(-c3ccccc3Cl)no2)cc1C 218811832 PYVJJTMBFZGNRV-UHFFFAOYSA-N 355.825 3.866 0 40 FHAB COC(=O)c1ccc(NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)cc1 222606738 UQEAADQTGAJSAV-UHFFFAOYSA-N 367.792 3.836 0 40 FHAB O=C(COc1ccc2c(c1)CCCC2)Nc1cccc(N2CCCC2=O)c1 223159469 XEMMKYFRBOTAFP-UHFFFAOYSA-N 364.445 3.710 0 40 FHAB Cc1cc(NC(=S)NCc2ccc(F)cc2)ncc1Br 223946789 MJQPRXYUTOXGOA-UHFFFAOYSA-N 354.248 3.778 0 40 FHAB CCC(=O)N(Cc1ccccc1Cl)[C@@H](CC)C(=O)NC1CCCC1 224323502 HGMNRQQUJVIVEC-KRWDZBQOSA-N 350.890 3.916 0 40 FHAB CCN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1ccc(C)cc1 224695160 BFXQIJGVUQLFRY-UHFFFAOYSA-N 367.854 3.650 0 40 FHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1F 225012414 IBJFVRIUPORISA-DLBZAZTESA-N 370.468 3.700 0 40 FHAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C)cc1 225398013 FKOMPDWDKKJVHB-INIZCTEOSA-N 372.896 3.744 0 40 FHAB COc1ccccc1CN(C)C(=O)[C@@H](C)Oc1cccc2c1CCCC2 225550798 OYIZMWXCULNWKI-MRXNPFEDSA-N 353.462 4.000 0 40 FHAB CCCOc1ccccc1CCCNC(=S)Nc1ccc(OC)nc1 225626730 KDMLQAPCUAMFAH-UHFFFAOYSA-N 359.495 3.798 0 40 FHAB O=C(NCc1ccc(Cl)cc1)NCc1cccnc1-c1cccnc1 225643480 PNMUUIWZUHFQMB-UHFFFAOYSA-N 352.825 3.796 0 40 FHAB CCCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1C(=O)OC 225783326 JHVHPOYGRTXGTG-UHFFFAOYSA-N 354.617 3.571 0 40 FHAB CCOC(=O)c1cc(NC(=O)[C@@](C)(CC)OC)ccc1O[C@@H](C)CC 225790833 GYNMKILMNUFIGJ-ORAYPTAESA-N 351.443 3.794 0 40 FHAB COc1ccc([C@H](C)NC(=O)CCc2nc(-c3cccc(C)c3)no2)cc1 225814964 JSIFUXDWHNHQGW-HNNXBMFYSA-N 365.433 3.864 0 40 FHAB COCCOc1ncc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1C 225885192 UYWMQWWAQHKSQS-UHFFFAOYSA-N 366.502 3.831 0 40 FHAB CCC(=O)NC(=S)Nc1cc(-c2ccc(C(=O)O)o2)ccc1Cl 226350984 VRCWXEVWIBZIER-UHFFFAOYSA-N 352.799 3.521 0 40 FHAB O=C(c1cncs1)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257276997 NWAHMNHFVAKOHJ-AWEZNQCLSA-N 371.437 3.881 0 40 FHAB CC(C)CC(=O)N1CCC(c2n[nH]cc2C(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 257292650 QMLDYEFNCJHYKI-HOTGVXAUSA-N 374.529 3.565 0 40 FHAB COCCC(=O)N[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)O[C@@H]2CCC[C@@H]12 257297610 RIBLUNKAEPLUNR-YLFCFFPRSA-N 371.399 3.857 0 40 FHAB Cc1cncc(C(=O)N2CCC[C@@H](c3cncc(Oc4ccccc4)n3)C2)c1 257321724 WCZAASBHSGQUCN-QGZVFWFLSA-N 374.444 3.992 0 40 FHAB C[C@H]1C[C@@H]1C(=O)NC[C@H]1CC[C@H](c2ncncc2-c2ccccn2)CC1 257331094 XRILZVPAHAXQEN-QAETUUGQSA-N 350.466 3.585 0 40 FHAB CN1CC[C@@H](c2n[nH]cc2-c2ccnc(NCc3ccccc3F)c2)C1 257332201 XWFNGWSJYHYJLB-MRXNPFEDSA-N 351.429 3.642 0 40 FHAB O=C1c2cccn2[C@@H]2CN(CCc3ccccc3)C[C@H]2N1Cc1ccccc1 306137649 RCKKTKNZQWLFJP-DHIUTWEWSA-N 371.484 3.612 0 40 FHAB CCCN1C(=O)N/C(=C/c2ccccc2OCc2ccc(C)cc2)C1=O 409241353 RPUWKLVOFVXJBF-QGOAFFKASA-N 350.418 3.877 0 40 FHAB COC(=O)[C@@H](O)c1c(C)nc2ccccc2c1-c1ccc2c(c1)CCCO2 504807851 VZLATPHJUHVXCY-NRFANRHFSA-N 363.413 3.742 0 40 FHAB COc1coc(C(=O)N[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)cc1=O 524732235 RBSCKUMNJBCHEY-AWEZNQCLSA-N 372.808 3.591 0 40 FHAB biogenic Cc1onc(CN2CCc3sccc3[C@@H]2c2cccs2)c1C(=O)O 572169082 ZEDLYBSEOOKPHW-MRXNPFEDSA-N 360.460 3.952 0 40 FHAB Cc1cc(C)n([C@H](CNC(=O)Cc2ccccc2Cl)c2ccco2)n1 575614555 WMNPHJFHAVIAAE-QGZVFWFLSA-N 357.841 3.695 0 40 FHAB Cc1ccc(CN2CCC3(CC2)OCC[C@H]3CCOCc2ccncc2)o1 585104666 KRJMOUWYUGDRAH-HXUWFJFHSA-N 370.493 3.961 0 40 FHAB O=C(NCC1(Cc2ccccc2)CCCCC1)[C@@H]1CCCc2nn[nH]c21 597519694 GURBONBUUXVWOP-QGZVFWFLSA-N 352.482 3.534 0 40 FHAB CSCCc1ccccc1NC(=O)[C@@H]1Cc2ccccc2N1C(C)=O 601718557 XGUZOOMYPAPGCY-IBGZPJMESA-N 354.475 3.508 0 40 FHAB O=C(c1cnc2ccccc2n1)N1CCC(c2ccc3cccnc3n2)CC1 1888929660 JJHVLQKAKLSHCM-UHFFFAOYSA-N 369.428 3.593 0 40 FHAB O=c1c2ccccc2ncn1CC1CCN(Cc2ccc(Cl)cc2)CC1 1888930573 YHIFHPUZSZPQMK-UHFFFAOYSA-N 367.880 3.962 0 40 FHAB CCOc1ccc(NC(=O)CSc2nccc(C(F)(F)F)n2)cc1 2730909 JJWZDWHOMMGPFU-UHFFFAOYSA-N 357.357 3.625 0 40 FHAB CCn1c(SCC(=O)N2[C@@H](C)CCC[C@H]2C)nnc1-c1ccc(O)cc1 897421 BTCOIHYCNISTQE-OKILXGFUSA-N 374.510 3.552 0 40 FHAB COc1cc(Br)c([C@@H](C)NC(=O)c2ccccc2)cc1OC 668024 BLBQXCILEBAXRY-LLVKDONJSA-N 364.239 3.957 0 40 FHAB CC(C)CNC(=S)NC1C[C@H]2CCC[C@H](C1)N2Cc1cccs1 1377769 LKAUYFUJHOLBHK-HZPDHXFCSA-N 351.585 3.754 0 40 FHAB COc1cc(NC(=O)c2ccc(F)cc2)ccc1NC(=O)c1ccco1 803434 QCXQSMCZEJXMHD-UHFFFAOYSA-N 354.337 3.932 0 40 FHAB O=C(COc1ccc(F)cc1)NCCSCc1ccc(Cl)cc1 7271083 DKANHVZPKXYCBD-UHFFFAOYSA-N 353.846 3.908 0 40 FHAB O=c1[nH]c2c(s1)[C@@H]1C(=CS2)COc2ccc(Br)cc21 1470518 ATAMBJKUFRTMDH-SNVBAGLBSA-N 354.250 3.713 0 40 FHAB COc1ccc(C(=O)c2ccc(I)cc2)cc1OC 1456012 OPYVYWFVQPDCMH-UHFFFAOYSA-N 368.170 3.539 0 40 FHAB CC(C)COCCCNC(=O)N[C@@H](C)c1ccc(Br)cc1 26265582 YWJFOKPBFROQMS-ZDUSSCGKSA-N 357.292 3.872 0 40 FHAB O=C(Nc1ccc(O)cc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 57289202 GXRYFTYEEDZLAP-UHFFFAOYSA-N 356.385 3.892 0 40 FHAB CCN1CCOc2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2C1=O 9828101 OIXZPBORLWRYLZ-UHFFFAOYSA-N 368.433 3.581 0 40 FHAB COC(=O)[C@H](C)CN(Cc1ccccc1)Cc1nnc(-c2ccccc2)o1 58192460 PMKLYTQVUGQQHV-MRXNPFEDSA-N 365.433 3.548 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(-n2ccnc2)cc1 20462669 HUKBWEJVMBRHKU-AWEZNQCLSA-N 355.825 3.609 0 40 FHAB Cc1nnc(SCc2cccc(C(=O)N(C)C)c2)n1-c1ccccc1 58209273 ULSDGIPULDOIQS-UHFFFAOYSA-N 352.463 3.570 0 40 FHAB O=C([C@H]1C[C@H]1c1cccc(Cl)c1)N1CCCN(c2nccs2)CC1 58245125 IQMZJXSCPUTVTN-HOTGVXAUSA-N 361.898 3.639 0 40 FHAB CCOc1ccc(Oc2c(C)oc3cc(OCC(=O)O)ccc3c2=O)cc1 2124412 MBPKZVOTPYESHD-UHFFFAOYSA-N 370.357 3.756 0 40 FHAB biogenic O=C(CCOc1cccc(F)c1)NC1CCN(CC2CCCCC2)CC1 58406558 HGLXDSLJOCVDOT-UHFFFAOYSA-N 362.489 3.756 0 40 FHAB Cc1cc(Cl)ccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 20050813 WTJMBXLIDCJGES-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB Cc1cc(-c2cc(C(=O)NCc3ccco3)c3c(C)noc3n2)c(C)o1 12768710 PFYFTNXQUAILEL-UHFFFAOYSA-N 351.362 3.931 0 40 FHAB COc1cccc(NC(=O)COC(=O)c2cccc(Cl)c2Cl)c1 3369533 HBIWIKQPLKSUOR-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB CC[C@H](NC(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1)c1cccs1 57242055 FHSMDUGAGPQPCD-KRWDZBQOSA-N 371.506 3.675 0 40 FHAB CCCCN(CC)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 23977994 BZHMELINHUMDSO-UHFFFAOYSA-N 364.445 3.745 0 40 FHAB CC(C)c1ccc(S(=O)(=O)NNc2c(F)c(F)cc(F)c2F)cc1 3362276 KUUBGQUOIFNDAN-UHFFFAOYSA-N 362.348 3.672 0 40 FHAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)CC[C@@H]2CCCO2)C1 48313396 KJEIFEBGOPQSEM-UEXGIBASSA-N 358.526 3.740 0 40 FHAB CCOc1ncccc1C(=O)O[C@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 11480399 AVKPHHMSHNVYIC-BUBBNXEVSA-N 357.450 3.811 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 11743955 GIKGXDGDXVATIA-MRXNPFEDSA-N 352.434 3.836 0 40 FHAB COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)Cc2ccc(C)cc2)C1 60365587 GQJPPSBLXUYZIP-QGZVFWFLSA-N 358.869 3.595 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)CSc1cc(C)nc(C)n1 12016628 OWJTWMWSJUMIIS-UHFFFAOYSA-N 351.859 3.795 0 40 FHAB COc1ccc2oc(C(=O)Nc3ccc(N4CCCC4)nc3)c(C)c2c1 12893231 ORQFUQCIHAMPCL-UHFFFAOYSA-N 351.406 3.997 0 40 FHAB Cc1ccc(CN(C)C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1 12880813 GGYDHQSRBYHPJL-UHFFFAOYSA-N 351.450 3.685 0 40 FHAB COc1cccc(C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)c1 3511542 YNVZUUFNBRQZDQ-UHFFFAOYSA-N 350.370 3.647 0 40 FHAB O=C(O)c1ccc(F)c(NS(=O)(=O)c2ccccc2-c2ccccc2)c1 12949798 DDOBUFBMAFOEPF-UHFFFAOYSA-N 371.389 3.992 0 40 FHAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)NC1CCN(C2CC2)CC1 12946564 IWDQODAPIOIEKO-UHFFFAOYSA-N 364.555 3.506 0 40 FHAB COc1cc(OC)c2[nH]c(C(=O)O[C@@H](C)C(=O)c3ccccc3)cc2c1 12908201 VMEDZMIYBBMKGQ-LBPRGKRZSA-N 353.374 3.613 0 40 FHAB c1ccc(Cc2nccc(NCc3ccccc3CN3CCOCC3)n2)cc1 95467679 SWKFDTXGXVGODG-UHFFFAOYSA-N 374.488 3.512 0 40 FHAB O=C(CSCc1cccc(Cl)c1)N1CCN(Cc2ccccc2)CC1 20238102 MCUZSCOTHWTIEZ-UHFFFAOYSA-N 374.937 3.918 0 40 FHAB COc1ccc(-c2nc3cc(NC(=S)NC(=O)C(C)C)ccc3o2)cc1 408625618 YTROXBYYXPSOSJ-UHFFFAOYSA-N 369.446 3.972 0 40 FHAB O=C(NCc1ccccc1OC(F)F)c1ccccc1Br 14127225 XMJIHXLQLOSMII-UHFFFAOYSA-N 356.166 3.981 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccs2)N1c1ccccn1 6400170 PHSFMJFAXJFVJX-KRWDZBQOSA-N 360.394 3.999 0 40 FHAB O=C(c1cccc(NCCSc2ccccc2F)c1)N1CCC[C@@H](O)C1 96006469 LPUJMBTTXNFAJN-QGZVFWFLSA-N 374.481 3.627 0 40 FHAB CC[C@@H](C)[C@H](C(=O)N(C)Cc1ccc(C(=O)NC)cc1)c1ccccc1 14226263 OQRQBQAVZYDPPO-UZLBHIALSA-N 352.478 3.835 0 40 FHAB COC(=O)CCSCC(=O)Nc1cc2oc3ccccc3c2cc1OC 6552793 TWAWLLFPIGBBRX-UHFFFAOYSA-N 373.430 3.829 0 40 FHAB CCOC(=O)c1c(NC(=O)CNc2cccc(C)c2)sc2c1CCC2 5560702 IUIKAZTWKWHTJU-UHFFFAOYSA-N 358.463 3.773 0 40 FHAB CCCN1C(=O)[C@@](O)([C@H](C)C(=O)c2ccc(Cl)cc2)c2ccccc21 4724184 NVUAHCRZARSCNP-ZUOKHONESA-N 357.837 3.803 0 40 FHAB CCC(=O)Nc1cc2nn(-c3ccc(N(CC)CC)cc3)nc2cc1C 4739334 PNHBBGKUWCFIKO-UHFFFAOYSA-N 351.454 3.924 0 40 FHAB CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1nc(C(C)(C)C)cs1 96117123 NMXCPXXWZXDGML-UHFFFAOYSA-N 370.478 3.992 0 40 FHAB O=C(COC(=O)Cc1ccc(Cl)cc1)Nc1ccc(F)c(Cl)c1 5613805 RPOMFWSYQRQDTB-UHFFFAOYSA-N 356.180 3.857 0 40 FHAB Cn1ncc2c1CCC[C@@H]2NC(=O)N(Cc1ccccc1)CC1CCC1 66334854 GBSKNCYQCHXQBT-IBGZPJMESA-N 352.482 3.809 0 40 FHAB COc1cccc(OC)c1C(=O)OCc1cc(=O)oc2c(C)c(C)ccc12 7183812 YZJWIYXSJBFCKF-UHFFFAOYSA-N 368.385 3.784 0 40 FHAB CCN(C(=O)CSc1nnc(C)n1-c1ccccc1)c1ccc(F)cc1 7220398 ROLUXNTZZUXXDN-UHFFFAOYSA-N 370.453 3.860 0 40 FHAB COc1ccc(CC(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)cc1 9419610 KJEYGSJOMWUDOC-UHFFFAOYSA-N 363.417 3.805 0 40 FHAB Cc1nc(CN2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cs1 19848925 WYOGZYBZKQKROE-UHFFFAOYSA-N 357.523 3.707 0 40 FHAB CCN(CC(=O)NC[C@H](c1ccccc1Cl)N(C)C)c1ccccc1 70004335 AWSIIJSYLNXIAS-LJQANCHMSA-N 359.901 3.585 0 40 FHAB Cc1ccc(OCCCNC(=O)NCCCOc2ccc(C)cc2)cc1 69452457 IKOWEUIUVNHZDW-UHFFFAOYSA-N 356.466 3.841 0 40 FHAB Cc1sc2ncnc(N3CCC(C(=O)Nc4ccncc4)CC3)c2c1C 17585539 OIGHIWVOSHHELL-UHFFFAOYSA-N 367.478 3.558 0 40 FHAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)C1(c2cccc(F)c2)CCCC1 72011842 INKDQEPSBJADGD-GOSISDBHSA-N 357.429 3.652 0 40 FHAB CO[C@@H]1[C@@H](C)[C@@H](NC(=O)Cc2csc(-c3ccsc3)n2)C1(C)C 95987024 KPRCHHHSBVWGKW-COLVAYQJSA-N 350.509 3.590 0 40 FHAB COc1ccc(-c2[nH]ncc2C(=O)N[C@@H](C)c2ccccc2)cc1OC 72329283 RCFFYAMAOOFZOT-ZDUSSCGKSA-N 351.406 3.585 0 40 FHAB O=C1CCCN1c1ccc(OCC(=O)N2CCC[C@@H]2c2ccccc2)cc1 9958450 YZXLORYQBBSEMT-HXUWFJFHSA-N 364.445 3.556 0 40 FHAB O=C1NC2(CCCCCC2)C(=O)N1CN1CCC(Cc2ccccc2)CC1 89830373 FKPKTEXQKIDXBM-UHFFFAOYSA-N 369.509 3.543 0 40 FHAB CC[C@@H](NC(=O)CCc1ccc(C)o1)[C@H](c1ccc(C)cc1)n1cncn1 89941933 YSPHSJSKBKBZQI-CTNGQTDRSA-N 366.465 3.605 0 40 FHAB O=c1ccc(-c2cccnc2)c2n1C[C@H]1C[C@@H]2CN(Cc2cccs2)C1 20503452 DRZONTVMFRCCDE-DOTOQJQBSA-N 363.486 3.591 0 40 FHAB biogenic,in-vitro CCOc1ccc(CNC(=O)CSc2ccc(OC)c(OC)c2)cc1 30863197 NMRINBGXHLABDJ-UHFFFAOYSA-N 361.463 3.511 0 40 FHAB COc1ccc(CNc2n[nH]c3nc(C)cc(C(F)(F)F)c23)c(OC)c1 72346482 KBGFPMWLYSWNAP-UHFFFAOYSA-N 366.343 3.914 0 40 FHAB CCCCOc1ccc(NC(=O)C2(OC)CCCC2)cc1C(=O)OCC 225804013 OYNGVQRICJYIDH-UHFFFAOYSA-N 363.454 3.940 0 40 FHAB COc1ccccc1CCC(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 44900427 KRHZGVPKCHFJND-LJQANCHMSA-N 365.433 3.994 0 40 FHAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(O)c(OC)c3)N21 222655642 OSKPFECEDJMMDV-FSPWUOQZSA-N 355.463 3.775 0 40 FHAB CN(c1ccccc1)c1ccc(C(=O)N[C@@H]2COc3ccccc3C2)cn1 195673696 CQQSCFFTQUQEIP-SFHVURJKSA-N 359.429 3.583 0 40 FHAB COc1ccc(C(=O)NCCCc2nc(-c3ccc(Cl)cc3)no2)cc1 41097244 QSSSNDJYLLSECK-UHFFFAOYSA-N 371.824 3.761 0 40 FHAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 222815369 OYXHQSAPYUWHOB-MOPGFXCFSA-N 363.490 3.648 0 40 FHAB CCN(CC)CCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cc1 225606325 IPBFZCGSMXGTIB-FQEVSTJZSA-N 350.503 3.797 0 40 FHAB COCc1nc(CNC(=O)N2CC3(CCCCC3)[C@@H]2C(C)C)cs1 580699168 IEYSMLZXJRCMAW-INIZCTEOSA-N 351.516 3.790 0 40 FHAB COc1ccc(-c2noc(-c3nc(-c4ccsc4)no3)n2)cc1OC 98212378 RUVADGJKDRZRFN-UHFFFAOYSA-N 356.363 3.532 0 40 FHAB Cn1cc(CCNC(=O)c2cc(-c3ccsc3)[nH]n2)c2ccccc21 604419756 ZSQCMBURCSRMHY-UHFFFAOYSA-N 350.447 3.602 0 40 FHAB CO[C@H](C(=O)N(c1ccc(F)c(Cl)c1)c1nccs1)[C@@H]1CCOC1 622835057 GXBDOAYUZMRSLK-YGRLFVJLSA-N 370.833 3.652 0 40 FHAB O=C(Cc1csc(-c2ccccn2)n1)Nc1ccccc1-n1ccnc1 45860181 FABWNWRYUZLCKC-UHFFFAOYSA-N 361.430 3.572 0 40 FHAB COc1cc(C2=N/C(=C/c3ccsc3)C(=O)O2)ccc1OC(F)F 96635187 ONAULUXSZQRJNN-IZZDOVSWSA-N 351.330 3.703 0 40 FHAB O=C(CN(Cc1ccccc1)Cc1ccccc1)NC(=O)c1ccccc1 1713435 UEJHMRAVWOEWSF-UHFFFAOYSA-N 358.441 3.645 0 40 FHAB CN(C)CCCC(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1ccc(F)cc1 1615153308 BXGKNYXHTBRYMU-OALUTQOASA-N 361.505 3.516 0 40 FHAB COc1ccc2[nH]c(C(=O)N(C)C[C@H]3CCCN4CCCC[C@@H]34)cc2c1 1565538237 GWXLEWZHYUCFIN-QRWLVFNGSA-N 355.482 3.513 0 40 FHAB biogenic CCOC(=O)c1cnn(-c2cc(-c3ccccc3)c3ccccc3n2)c1N 5446555 YFMCTUYDKZGORV-UHFFFAOYSA-N 358.401 3.846 0 40 FHAB O=C(CN1C(=O)S/C(=C/c2ccccc2F)C1=O)Nc1ccc(F)cc1 5770298 DBRULYFSEBUHPN-OQLLNIDSSA-N 374.368 3.640 0 40 FHAB COc1ccc2nc(NC(=O)CSCc3c(C)noc3C)sc2c1 12823898 OZWCIIARAZWTJL-UHFFFAOYSA-N 363.464 3.782 0 40 FHAB CCCCOC(=O)COC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 14674509 CPUGXLSOCATUCQ-UHFFFAOYSA-N 372.446 3.896 0 40 FHAB C[C@H](C(=O)Nc1ccc(Cl)cc1F)N(C)Cc1ccc2c(c1)OCO2 15029515 NXMYUJPJCOQZQA-LLVKDONJSA-N 364.804 3.667 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)c2ccc3c(c2)NC(=O)CS3)c1 15567924 ZZFAPOGFYPKORO-UHFFFAOYSA-N 372.446 3.781 0 40 FHAB COC1CCC(C(=O)N2[C@@H]3CC[C@@H](C3)[C@@H]2COc2ccc(F)cc2)CC1 19592558 POGHJNLVWXXZDE-AEHWBNEESA-N 361.457 3.789 0 40 FHAB Cc1cc(-c2ccccc2)cc(C2CCN(C(=O)c3cnccn3)CC2)n1 19691124 WUTZPTLJASFACZ-UHFFFAOYSA-N 358.445 3.867 0 40 FHAB Cn1c(-c2ccccn2)nn(CN2CCCc3cccc(F)c32)c1=S 158189077 VSFRHKPNUOBTTH-UHFFFAOYSA-N 355.442 3.562 0 40 FHAB COc1ccc(Cl)cc1C(=O)NCC1CCN(C2CCCC2)CC1 23014458 DSLRSRPARHKNJL-UHFFFAOYSA-N 350.890 3.733 0 40 FHAB C[C@H](OC(=O)c1ccco1)C(=O)Nc1ncc(C(F)(F)F)cc1Cl 10030784 FOEMTMDTVPQENI-ZETCQYMHSA-N 362.691 3.531 0 40 FHAB CN(C)C(=S)SCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 3263179 RLMSBLQRAAKASA-UHFFFAOYSA-N 356.822 3.877 0 40 FHAB CCOc1c(Cl)cc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1OC 10812956 NJHCOQWPRVUMAU-UHFFFAOYSA-N 368.905 3.786 0 40 FHAB COc1ccc(O)c(C(=O)OCC(=O)Nc2c(C)cccc2C(C)C)c1 6551995 LMMBLMXWOKMPHQ-UHFFFAOYSA-N 357.406 3.628 0 40 FHAB CC1=Cc2nc3ccccc3n2[C@]2(C(F)(F)F)OC(c3cccnc3)=NN12 6566991 FJHCJULYDXUEMN-SFHVURJKSA-N 371.322 3.672 0 40 FHAB COc1ccc(CCC(=O)NCc2ccc(CN3CCCC3)cc2)cc1 14227763 ZPNSGXFOTKTMIG-UHFFFAOYSA-N 352.478 3.540 0 40 FHAB O=S(=O)(Nc1cc(F)ccc1OCC(F)(F)F)c1cccs1 23054870 UGRDTXPACDULOL-UHFFFAOYSA-N 355.334 3.629 0 40 FHAB O=C(Nc1ccc(Br)cc1Br)C1CCOCC1 23270669 IMMPCMRSVVIEGE-UHFFFAOYSA-N 363.049 3.577 0 40 FHAB CCc1nnc(NC(=O)CSc2nccn2-c2cccc(C)c2C)s1 2723049 SMXDVUXNFOAIDJ-UHFFFAOYSA-N 373.507 3.634 0 40 FHAB CC(C)CC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2 5136635 BYPKEGRCSPTMGP-UHFFFAOYSA-N 372.490 3.813 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(Oc3cc(C)nc(C)n3)cc2)cc1 40060511 BCEGYDYHOHMTBD-UHFFFAOYSA-N 369.446 3.995 0 40 FHAB Cc1nc(-c2ccc(CNC(=O)c3ccc([S@](C)=O)cc3)cc2)cs1 40005058 NEEOGJJEXCMXJH-RUZDIDTESA-N 370.499 3.786 0 40 FHAB COc1ccc(CCN(C)C(=O)c2cccc3ncccc23)cc1OC 30866465 YWXAVTSZQLVWGB-UHFFFAOYSA-N 350.418 3.567 0 40 FHAB O=C1CC2(CCCCC2)C(=O)N1C[C@H](O)c1cc(Cl)ccc1Cl 51261745 AVWUCJBUMASZNL-AWEZNQCLSA-N 356.249 3.736 0 40 FHAB CCc1c(C)sc2nc(NCCCOC)n3nc(-c4ccco4)nc3c12 32094988 XQYXREFANMQCPS-UHFFFAOYSA-N 371.466 3.918 0 40 FHAB O=C(CSCc1nc(-c2cccs2)no1)N1CCc2ccccc21 32778877 USCWWUFIYVKGOK-UHFFFAOYSA-N 357.460 3.621 0 40 FHAB O=C(CSC1=Nc2ccccc2CS1)NCc1ccc2c(c1)OCO2 22021962 MVGWWAKTDPCMMH-UHFFFAOYSA-N 372.471 3.699 0 40 FHAB O=C(NCc1cccs1)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 1379860 JRFUNHYQICUOSJ-OAHLLOKOSA-N 363.870 3.714 0 40 FHAB CCCCC(=O)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 1868401 VPWRLXPXPPICKD-UHFFFAOYSA-N 371.506 3.839 0 40 FHAB CCc1cccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c1 1937526 ADLSOOLZEHNGSM-LBPRGKRZSA-N 372.490 3.552 0 40 FHAB COc1ccc(N2C3=[N+](CCCC3)[C@H](C)[C@]2(O)c2ccc(Cl)cc2)cc1 3092956 GAIBYRYSJVLECI-VFNWGFHPSA-N 371.888 3.997 0 40 FHAB O=S(=O)(Oc1ccccc1-c1csnn1)c1ccc(Cl)cc1 3104206 WSYXPSBDNGIXNH-UHFFFAOYSA-N 352.824 3.626 0 40 FHAB CC(=O)Oc1ccc(C(=O)OCc2ccc(Cl)cc2)cc1OC(C)=O 3224536 DCNXNOUPVMXJJX-UHFFFAOYSA-N 362.765 3.548 0 40 FHAB COc1ccc(CN(C)C(=O)c2cc(F)c(F)c(F)c2F)c(OC)c1 3429392 JVCKGAGTNMRMKB-UHFFFAOYSA-N 357.303 3.532 0 40 FHAB CC(=O)c1ccc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 3504313 FYEXOERERPQCOG-UHFFFAOYSA-N 353.296 3.805 0 40 FHAB O=C1CC[C@@H](C(=O)n2ccnc2)[C@H](c2ccccc2)N1C1CCCCC1 4023735 QUORYNSIBVXYBT-QUCCMNQESA-N 351.450 3.836 0 40 FHAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1cccc(OC)c1OC 4162600 OJGHPQIGVYACKI-UHFFFAOYSA-N 369.373 3.879 0 40 FHAB CCOc1ccc(CC(=O)NCCc2csc(-c3cccnc3)n2)cc1 4167035 IQJPPZUWZKUENG-UHFFFAOYSA-N 367.474 3.505 0 40 FHAB O=C(Nc1nnc(-c2ccc3c(c2)OCCO3)o1)c1cccc2ccccc12 4264353 ITENJMXIGPGJHF-UHFFFAOYSA-N 373.368 3.913 0 40 FHAB C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)NC(N)=O 4516602 YHZFVAULGDUBDS-GFCCVEGCSA-N 367.430 3.684 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cc3c(s2)CCC3)c1 4581364 WSTJTJAYEDEHKB-LBPRGKRZSA-N 357.431 3.623 0 40 FHAB COc1ccccc1C(=O)OCC(=O)N1CC[C@H](C)Sc2ccccc21 5078834 KYHWGEIWDXYNCM-AWEZNQCLSA-N 371.458 3.770 0 40 FHAB CC(=O)N(c1ccccc1)c1nc(COC(=O)c2c(C)noc2C)cs1 5193637 FEVSKUWHHABPAU-UHFFFAOYSA-N 371.418 3.790 0 40 FHAB C[C@H](SCC(=O)Nc1ccc2c(c1)OCO2)c1nc2ccccc2[nH]1 5264930 GWBJKXVUSKOFII-NSHDSACASA-N 355.419 3.725 0 40 FHAB O=C1[C@@H]2CS[C@@H](c3ccsc3)N2C(=S)N1c1ccc(F)cc1 5274908 LNVZRSKUHZJMNX-JSGCOSHPSA-N 350.465 3.635 0 40 FHAB COc1ccc(NC(=O)OCc2ccccc2)cc1N1CCCCC1=O 5442007 GFQFKSAQFYGWTE-UHFFFAOYSA-N 354.406 3.961 0 40 FHAB O=C([C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1)N1CCOCC1 5466069 SWPNHTFYTGJWLY-KRWDZBQOSA-N 366.244 3.972 0 40 FHAB CC(C)N(C(=O)Cn1cnc2c(oc3ccccc32)c1=O)c1ccccc1 5563375 HWQIUUTVHNOWEW-UHFFFAOYSA-N 361.401 3.584 0 40 FHAB COc1cc2c(cc1/C=C1/S/C(=N\C(C)C)N(C(C)C)C1=O)OCO2 6324864 LXGRABMYGGYHHD-PSIIOZCDSA-N 362.451 3.513 0 40 FHAB O=C(NC(=S)Nc1cccc2ccccc12)c1ccc2c(c1)OCO2 6393515 YADGUZVIISPSRV-UHFFFAOYSA-N 350.399 3.695 0 40 FHAB COc1ccc(CC(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1 6581908 OCHOSORWYOQCAN-UHFFFAOYSA-N 368.216 3.726 0 40 FHAB C[C@@H](OC(=O)c1ccco1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 6649183 VQDZYUPCEFZRLT-MRVPVSSYSA-N 359.712 3.718 0 40 FHAB Cc1cc(C)cc(NC(=O)CSc2ccc(-c3ccccn3)nn2)c1 6859342 FMCKBBLJAOCHSZ-UHFFFAOYSA-N 350.447 3.886 0 40 FHAB Brc1cccc([C@@H]2C[C@H](c3cccnc3)Nc3ncnn32)c1 6920137 WCUNNUMUSDOESG-CABCVRRESA-N 356.227 3.582 0 40 FHAB COc1ccccc1CCC(=O)N1CCN(c2cc(Cl)ccc2C)CC1 6931417 ULHXTWPUFOQHPQ-UHFFFAOYSA-N 372.896 3.938 0 40 FHAB Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)n1 7048344 BVKBEXWGXOTNGB-NSHDSACASA-N 371.491 3.610 0 40 FHAB CC(C)CSc1nnc(SCc2cc(=O)n3ccsc3n2)s1 7231660 IDWKZMDMPYQTTF-UHFFFAOYSA-N 370.550 3.648 0 40 FHAB CC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)s1 7505238 UNBCRWPUOJSFEX-UHFFFAOYSA-N 360.254 3.514 0 40 FHAB CC[C@H](C)Cc1c(C)sc2nc(SCc3nnc(C)o3)[nH]c(=O)c12 7672526 SEBUBEGEOCBSKN-QMMMGPOBSA-N 364.496 3.865 0 40 FHAB CCCc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1 7726735 VQIHYJFYFLXXAP-UHFFFAOYSA-N 358.463 3.567 0 40 FHAB COc1ccc2oc(C(=O)Nc3cc(NC(C)=O)ccc3OC)c(C)c2c1 7758290 CARPUAFHDCMVSQ-UHFFFAOYSA-N 368.389 3.969 0 40 FHAB CCOc1ccc2nc(NC(=O)Cn3ccc(C(F)(F)F)n3)sc2c1 7768249 GUEZYNFRQHIDHP-UHFFFAOYSA-N 370.356 3.549 0 40 FHAB O=C(CSc1ccc(F)cc1F)Nc1ccccc1C(=O)NC1CC1 7921551 FGLFNIXLSSEDHO-UHFFFAOYSA-N 362.401 3.588 0 40 FHAB Cc1cccc(N2CCN(C(=O)NCc3cccc(Cl)c3)CC2)c1C 8026849 GHJKVKQSWRFQBT-UHFFFAOYSA-N 357.885 3.989 0 40 FHAB Clc1ccc(-n2nnnc2SCc2nc(-c3ccccc3)no2)cc1 8229608 IPFOVIFBXARYOY-UHFFFAOYSA-N 370.825 3.658 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(F)c3c2C(=O)C[C@H]3C)c1C 8709328 WXCGIWPTKGDEMK-SECBINFHSA-N 357.381 3.925 0 40 FHAB C[C@@H](C(=O)Nc1c(F)cccc1F)N(C)Cc1cnn(-c2ccccc2)c1 9114563 URIBBAPDZDXSFF-AWEZNQCLSA-N 370.403 3.610 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1cc2ccccc2c(=O)[nH]1 9313775 ACCLEOQDCNAWRP-CYBMUJFWSA-N 374.396 3.746 0 40 FHAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(Br)cc1 9746509 ZEDWQAQEIRKIIB-UHFFFAOYSA-N 359.223 3.594 0 40 FHAB O=C(COc1cccc2ccccc12)Nc1cccc(C(=O)NC2CC2)c1 11230668 OMXYZRAPAFGQRO-UHFFFAOYSA-N 360.413 3.750 0 40 FHAB COCCOC(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C 11681720 PRSQMFRDCHNSBF-UHFFFAOYSA-N 353.422 3.791 0 40 FHAB Cc1cccc(Oc2ccc(NC(=O)CSc3nc(C)n[nH]3)cc2)c1 11701387 WEKFZXCFPJJMIA-UHFFFAOYSA-N 354.435 3.945 0 40 FHAB CCn1ncc2c3sc(C)cc3n(Cc3cccc(OC)c3)c2c1=O 12113466 UBIIJFMRVNKIGL-UHFFFAOYSA-N 353.447 3.798 0 40 FHAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)Nc1ccc2c(c1)CCC2 12211473 HKKUJSROWHIRNK-UHFFFAOYSA-N 356.476 3.797 0 40 FHAB Cc1cc2oc(C(=O)N(C)[C@H](C)Cc3ccccn3)cc(=O)c2cc1C 12290398 KWIATKZHDHFAFV-OAHLLOKOSA-N 350.418 3.508 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 12514508 KUAARFDPXRLTND-HNNXBMFYSA-N 374.868 3.891 0 40 FHAB Cc1ccccc1NC(=O)[C@H](C)OC(=O)c1cncn1-c1ccc(F)cc1 12627636 ILEFJAKMHLLELM-AWEZNQCLSA-N 367.380 3.504 0 40 FHAB CCC(=O)Nc1ccc(-c2nc(-c3ccc(O)c(C(N)=O)c3)cs2)cc1 12787677 GUZURTILTKOODJ-UHFFFAOYSA-N 367.430 3.630 0 40 FHAB COc1ccc(Cl)cc1C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 12794875 KLOZRMIGKLPOHH-UHFFFAOYSA-N 372.852 3.515 0 40 FHAB COc1ccc(Cl)cc1NC(=O)CC[C@@H]1Cc2ccccc2NC1=O 12859940 VGPQUDVHQUZTNA-CYBMUJFWSA-N 358.825 3.878 0 40 FHAB CCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nc2ccsc2c1=O 12908274 HEZWIEAIBMKBNC-NSHDSACASA-N 359.476 3.597 0 40 FHAB C[C@H](Nc1cnn(-c2ccccc2)c(=O)c1Cl)c1ccc2c(c1)OCO2 12922903 LLMUKADHODZOME-LBPRGKRZSA-N 369.808 3.788 0 40 FHAB CCN(CC)Cc1ccccc1CNS(=O)(=O)c1cccc(Cl)c1 13010799 AYULHNSBEMUKRJ-UHFFFAOYSA-N 366.914 3.660 0 40 FHAB O=C(O)C1CCN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 13261796 NQLTYZXMBURNTB-UHFFFAOYSA-N 367.323 3.902 0 40 FHAB CCN1CCN(C(=O)c2ccc(OCc3ccccc3Cl)cc2)CC1 13687741 OYNSVQUJEQHQQM-UHFFFAOYSA-N 358.869 3.697 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3ccc[nH]3)o2)c1C 14093990 LGYFIPWRODCFKJ-LLVKDONJSA-N 358.423 3.576 0 40 FHAB Cc1cccc(C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c1 14630095 VUVMTMOOHJILOX-UHFFFAOYSA-N 370.321 3.653 0 40 FHAB CC(C)NC(=O)CSC1=NC(c2ccccc2)=NCN1c1ccccc1 15860595 PTSRAQOMSXPYSN-UHFFFAOYSA-N 366.490 3.525 0 40 FHAB Cc1ccc(CC(=O)N2CCC[C@H]2c2nnc(-c3scnc3C)o2)cc1 19209619 SMXWJFZUJROGEB-HNNXBMFYSA-N 368.462 3.716 0 40 FHAB Cc1noc(C)c1C(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21 19580157 KZTSFOHXJNWTQM-NSHGMRRFSA-N 371.456 3.571 0 40 FHAB COc1ccc(C(=S)N2CCN(Cc3ccccc3)CC2)cc1Cl 19869012 QQIXIQAEPXMYOP-UHFFFAOYSA-N 360.910 3.842 0 40 FHAB CC(C)c1cc(NC(=O)COc2ccc(Br)cc2F)on1 21276162 DWYHGTHXEMEPKQ-UHFFFAOYSA-N 357.179 3.717 0 40 FHAB Cc1ccc(CCC(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1Cl 23184139 FQGFXLGRDYLAAX-MRXNPFEDSA-N 359.853 3.879 0 40 FHAB O=C(CCc1cccs1)N1CCN(Cc2nc3ccccc3s2)CC1 23845805 LBSWZCJPFXJKLA-UHFFFAOYSA-N 371.531 3.635 0 40 FHAB O=c1[nH]c(CN(Cc2ccco2)Cc2ccco2)nc2cc(Cl)ccc12 24574666 APLCLARKWBUNIS-UHFFFAOYSA-N 369.808 3.965 0 40 FHAB Cc1cccc(C)c1NC(=O)CNC(=O)C1(c2cccc(F)c2)CCC1 24954841 ULZGBEVHXRGXAZ-UHFFFAOYSA-N 354.425 3.619 0 40 FHAB CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)OCc1cc(F)ccc1OC 25065724 VTNXNKWNOZRDCL-AUUYWEPGSA-N 373.424 3.722 0 40 FHAB CN(C)[C@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)c1ccsc1 25330108 LKYHMLBTAKPQLG-CQSZACIVSA-N 358.385 3.679 0 40 FHAB CCn1nnc2cc(C(=O)OCc3csc(-c4ccco4)n3)ccc21 25447954 ACIWGNQVJXEYCK-UHFFFAOYSA-N 354.391 3.525 0 40 FHAB O=C1NC2(CCC(c3ccccc3)CC2)C(=O)N1Cc1ccccc1F 26779050 YZPWHLQDJVHDCP-UHFFFAOYSA-N 352.409 3.974 0 40 FHAB COc1ccc(OCc2ccc(C(=O)N[C@H](C)c3ccncc3)o2)cc1 28230715 PXLSEISJCGIOJJ-CQSZACIVSA-N 352.390 3.753 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 30056913 UYJMNWKDNAEJOE-WBVHZDCISA-N 370.880 3.830 0 40 FHAB C[C@H](C(=O)Nc1cccc(OC[C@H]2CCCO2)c1)n1cnc2ccccc21 30633998 JKWDKVHVQFGQJB-CRAIPNDOSA-N 365.433 3.794 0 40 FHAB COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1OC 30869844 KHKJSDRJZRTPQC-HOTGVXAUSA-N 357.450 3.965 0 40 FHAB COc1ccc(C(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)cc1 32610027 DDZROLHPIKCEAS-UHFFFAOYSA-N 359.788 3.985 0 40 FHAB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(Cl)cc1F 32768545 ZUNSZJZVNYEPCD-UHFFFAOYSA-N 373.815 3.766 0 40 FHAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1cc2ccccc2oc1=O 32902667 RYBKQUHQMRMTKU-GOSISDBHSA-N 350.418 3.889 0 40 FHAB COc1ccc(-c2nnsc2C(=O)N[C@@H](C)CCc2ccccc2)cc1 36353790 FXLIZIQHQUGRDR-AWEZNQCLSA-N 367.474 3.965 0 40 FHAB COc1ccc(NCC(=O)Nc2c(F)cccc2F)cc1OC(F)F 40061285 NIUDVLJTFPDDLC-UHFFFAOYSA-N 358.291 3.625 0 40 FHAB CCCOc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)N(CC)CC)C1 40129844 WFRNKJQFKWJMQW-MRXNPFEDSA-N 361.486 3.588 0 40 FHAB Cc1cccc(CN(C)S(=O)(=O)c2ccc(Br)cc2)c1 40446468 IETLYFLAWYDOKR-UHFFFAOYSA-N 354.269 3.578 0 40 FHAB CCCCOc1ccccc1C(=O)Nc1ccc2c(c1)N(C)C(=O)[C@H](C)O2 41014772 OLIGVBMLQRKDIZ-AWEZNQCLSA-N 368.433 3.862 0 40 FHAB O=C(NCCC1=CCCCC1)C(=O)Nc1ccc(Br)cc1F 42645860 QPPSWKQKISPHOU-UHFFFAOYSA-N 369.234 3.533 0 40 FHAB Cc1ccccc1NC(=O)CN1C(=O)COc2cc(C(C)(C)C)ccc21 44841425 ASMNQPJBLPFHPM-UHFFFAOYSA-N 352.434 3.657 0 40 FHAB Cc1noc(-c2csc(S(=O)(=O)N(C)Cc3ccccc3)c2)c1C 44891186 WNDMBHRZQFIMOR-UHFFFAOYSA-N 362.476 3.841 0 40 FHAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 47047444 FABPANVPMNVJTH-UHFFFAOYSA-N 359.838 3.924 0 40 FHAB Cc1ccc(-c2nnc([C@H]3CCN(Cc4ccc5c(c4)OCO5)C3)o2)cc1 49169936 QQVOPBAKGSXBAU-KRWDZBQOSA-N 363.417 3.763 0 40 FHAB biogenic,in-vitro Cc1nc(C(=O)N2CCC(c3nnc(-c4ccco4)s3)CC2)cs1 49362982 JGQRACVRBUURQN-UHFFFAOYSA-N 360.464 3.583 0 40 FHAB COC(=O)c1ccc([C@H]2SCC(O)=Nc3c2cnn3C(C)(C)C)cc1 49548248 UBNPVCQAPABELU-OAHLLOKOSA-N 359.451 3.849 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNCc3cccs3)cc12 57811760 ZDUXEJUFNHUJOL-UHFFFAOYSA-N 368.437 3.513 0 40 FHAB CC(=O)N[C@@H](CC(=O)NCc1csc2ccccc12)c1cccs1 57839295 IHMAFXDUZYPQNN-HNNXBMFYSA-N 358.488 3.847 0 40 FHAB O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCCN(c2nccs2)CC1 58245128 IQMZJXSCPUTVTN-HZPDHXFCSA-N 361.898 3.639 0 40 FHAB O=C(NCCc1cccc(F)c1)Nc1ccccc1CN1CCSCC1 61789937 OAVFNESLQDDGKU-UHFFFAOYSA-N 373.497 3.739 0 40 FHAB Cc1ccc(-c2n[nH]cc2CNC[C@H]2CCN(c3ccc(F)cc3)C2)o1 67253360 WOBVNLRYBUJSKT-OAHLLOKOSA-N 354.429 3.733 0 40 FHAB CN(C)[C@H](CNC(=O)Nc1cccc(CN2CCCC2)c1)C1CCCCC1 69585886 AMNRDGFSFAYJQH-OAQYLSRUSA-N 372.557 3.914 0 40 FHAB CC[C@H](C)[C@@H](C(=O)NCc1ccccc1F)N1Cc2ccccc2C1=O 71334371 YMYVRKIYLOMDRH-LIRRHRJNSA-N 354.425 3.513 0 40 FHAB Cc1cc(C)nc([C@H]2CCN(C(=O)c3[nH]c4ccc(F)cc4c3C)C2)n1 72369720 DURMIRWUOMEHEU-AWEZNQCLSA-N 352.413 3.652 0 40 FHAB CCN(CC)C(=O)CN1CCC[C@H]1c1cc(Nc2ccccn2)cc(C)n1 72372473 SPTRUJUBIPRDGK-IBGZPJMESA-N 367.497 3.534 0 40 FHAB COc1cc(C(C)=O)ccc1OC(=O)c1cnn(-c2ccccc2)c1C 73077340 OLJGDGSJPLXHBO-UHFFFAOYSA-N 350.374 3.611 0 40 FHAB O=C(c1ccc2cc[nH]c2c1)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1 75165241 LGYRVPYAWVRKBZ-LBPRGKRZSA-N 364.327 3.590 0 40 FHAB Cc1cccc(-c2noc(CCC(=O)NCc3ccc(Cl)cc3)n2)c1 75359541 RFRXDBNQQYNFHA-UHFFFAOYSA-N 355.825 3.947 0 40 FHAB C[C@@H]1CN(C(=O)[C@@H](C)Sc2ncc(-c3ccc(F)cc3)o2)C[C@@H](C)O1 78406943 CBNPHFNIXRKKHF-JHJVBQTASA-N 364.442 3.597 0 40 FHAB Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N(C)Cc1nc2c(s1)CCCC2 83212549 UBWBUUNDXXPLPV-INIZCTEOSA-N 371.506 3.914 0 40 FHAB O=C(N[C@@H]1CCCOc2ccc(F)cc21)c1cc(Cl)c2c(c1)OCO2 84459398 YKFGHPJRJSOUGE-CQSZACIVSA-N 363.772 3.852 0 40 FHAB C[C@@H]1[C@@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 86255952 KVCDRFYMLTZBJM-KGLIPLIRSA-N 351.402 3.731 0 40 FHAB Cc1ccc(CS(=O)(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1 91690470 XSPSXTZSTPAPDB-MRXNPFEDSA-N 355.500 3.807 0 40 FHAB COc1csc(C(=O)N2CCc3cc(Br)cc(F)c3C2)c1 95460256 QUUZCLHNQDDDJH-UHFFFAOYSA-N 370.243 3.857 0 40 FHAB CC(C)N1CC2(CCN(Cc3cccnc3)CC2)C[C@@H]1COCC1CC1 96207054 YIEOQHMHLDHNLR-OAQYLSRUSA-N 357.542 3.573 0 40 FHAB COc1ccc([C@H]2CC(=O)Oc3ccc4c(C)cc(=O)oc4c32)c(OC)c1 96221626 UOIIETWXUSQADD-OAHLLOKOSA-N 366.369 3.560 0 40 FHAB biogenic O[C@@H](CNCc1cccc(Cl)c1Cl)CN1CCc2ccccc2C1 96747832 FVFGFWREHFZIBY-KRWDZBQOSA-N 365.304 3.502 0 40 FHAB O=C(C[C@H]1CC[C@@H](C(=O)O)CC1)c1ccc(I)cc1 100449397 QNWLQUZPADJNLK-UMSPYCQHSA-N 372.202 3.755 0 40 FHAB CC(C)N1C(=O)[C@@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccccc3)[C@H]2C1=O 102219123 SCJYZGKOFOCAKS-FGTMMUONSA-N 370.836 3.595 0 40 FHAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccc(O)cc2)C[C@H](c2ccccc2O)C1 102566885 DXCDFXMMCZNKDJ-RBZFPXEDSA-N 374.400 3.755 0 40 FHAB C[C@H](C(=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[C@@]21C 123301953 NVSBPOIDOGLQAT-YLIDJJKRSA-N 362.510 3.906 0 40 FHAB CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC)cc1 222481475 ZFEJMNKTDPMIPK-GOSISDBHSA-N 366.505 3.653 0 40 FHAB COc1ccc(O[C@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)cc1 223700214 CMSVXNSGQFJSOP-MRXNPFEDSA-N 371.477 3.955 0 40 FHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCOc1ccc(OC)cc1 224471635 GJMLXBXNGMSUSL-LJQANCHMSA-N 357.450 3.665 0 40 FHAB COc1ccc(O[C@H](Cc2cccc(Br)c2)C(=O)O)cc1 225063903 HBYDTSQFPBKAED-OAHLLOKOSA-N 351.196 3.532 0 40 FHAB CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 225606472 HLRJJZQWAICZIO-OAQYLSRUSA-N 362.514 3.941 0 40 FHAB COC(=O)N1CCC(CNC(=O)c2ccc(-c3ccsc3)cc2)CC1 225619631 BPELARUVTPEVOG-UHFFFAOYSA-N 358.463 3.623 0 40 FHAB Cc1nn(C)c2nc([C@H]3CCCN(Cc4ccc(Cl)cn4)C3)ccc12 257287986 PSHHLOAIUWFQMV-AWEZNQCLSA-N 355.873 3.705 0 40 FHAB c1ccc(CN2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)nc1 306135558 OURLJPGCAREQQP-LJQANCHMSA-N 370.460 3.566 0 40 FHAB Cc1ccc(-c2nnc(CN(C)C(=O)[C@H](C)Oc3ccccc3C)o2)cc1 408713966 DWYMDVGRAIESQP-INIZCTEOSA-N 365.433 3.779 0 40 FHAB C[C@@H]1CCC[C@H]2C1=NN(C(=O)CCCc1ccccc1)[C@@]2(O)C(F)(F)F 409177824 HTIHKHXFXMPTAI-XUWXXGDYSA-N 368.399 3.895 0 40 FHAB CN1c2ccccc2C(=O)N[C@@H]1c1cnn(-c2ccc(C(F)(F)F)cc2)c1 504688317 XZOXHFBBBZOUDZ-KRWDZBQOSA-N 372.350 3.770 0 40 FHAB O=C(Cc1cccc2ccccc12)NCc1nccnc1-c1cccnc1 575619695 MFMDMMSIJLBTPS-UHFFFAOYSA-N 354.413 3.551 0 40 FHAB CCn1c(NC(=O)[C@H]2CCN(c3ccccc3F)C2)nc2ccccc21 577107227 NWEMHLPECZZVJK-AWEZNQCLSA-N 352.413 3.660 0 40 FHAB Cc1ccc2c(c1)CN(CCOc1ccc(C(=O)O)cc1Cl)CCO2 582498314 JZHDALOWBFDQGN-UHFFFAOYSA-N 361.825 3.620 0 40 FHAB CCc1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 1192756233 NOVUXUVRHSMUAO-UHFFFAOYSA-N 370.268 3.821 0 40 FHAB Cn1ccc2cc(C(=O)N3CCc4ncnc(-c5ccsc5)c4C3)ccc21 1565556783 VPPBLRICOBONRU-UHFFFAOYSA-N 374.469 3.895 0 40 FHAB O=C(c1ccc2nccnc2c1)N1CCC(c2ccc3cccnc3n2)CC1 1888929668 QXJZCPSVJQMRHN-UHFFFAOYSA-N 369.428 3.593 0 40 FHAB CCCc1nc2oc3c(N[C@H](CC)CO)ncnc3c2c2c1CCCC2 2358658 DBDPFYBHMBNCNA-GFCCVEGCSA-N 354.454 3.785 0 40 FHAB CCc1ccc2nc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)sc2c1 2631247 AAIHQPGNKBFTCA-HNNXBMFYSA-N 352.415 3.579 0 40 FHAB CCO[P@](=O)(c1ccccc1)[C@H](NC(=O)OC)C(Cl)(Cl)Cl 2675065 XKCBRBXUYHBZIW-CHNSCGDPSA-N 374.588 3.679 0 40 FHAB O=C(COC(=O)CCc1nc2ccccc2s1)NCCC1=CCCCC1 3278839 PFENJVFXRWJYKT-UHFFFAOYSA-N 372.490 3.779 0 40 FHAB C[C@H](OC(=O)c1cccnc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 3397303 LXGUJDHBYYAKAG-VIFPVBQESA-N 372.730 3.938 0 40 FHAB Cc1ccc(C)c(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 3611751 PDCJAOLYXNKGKS-UHFFFAOYSA-N 358.869 3.684 0 40 FHAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1C 4860430 SWIJSVAOXBQXAV-UHFFFAOYSA-N 356.451 3.677 0 40 FHAB Cc1ccc(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3C(=S)NCC(C)C)cc1 4888311 PAEOHARENRTHNZ-YQQQUEKLSA-N 373.566 3.641 0 40 FHAB COc1ccccc1-n1cnnc1SCC(=O)Nc1cc(C)cc(C)c1 4895119 ZYKIBIZFCWNQGE-UHFFFAOYSA-N 368.462 3.624 0 40 FHAB CC(C)[C@H](OC(=O)c1cc2sccc2n1C)C(=O)NC1CCCCC1 4967025 AXPOOIDYCGKLKH-KRWDZBQOSA-N 362.495 3.870 0 40 FHAB CCOC(=O)[C@H]1CCCN(c2ncnc3sc4c(c23)CC[C@@H](C)C4)C1 5560006 WZEIXFQTJKDHNP-OLZOCXBDSA-N 359.495 3.596 0 40 FHAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NCc1cccs1 6603229 AWYOKSCVJWKXIV-LJQANCHMSA-N 364.470 3.926 0 40 FHAB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Oc1cccnc1)c1nc3ccccc3nc12 6719433 NHXRTIJGJKWKTR-FCHUYYIVSA-N 359.429 3.960 0 40 FHAB CCCC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nnc3ccccn23)cc1 6881603 LTLQSCQVCBBBFY-ZDUSSCGKSA-N 368.462 3.831 0 40 FHAB Cn1c(SCc2cc(Cl)c3c(c2)OCCCO3)nnc1C1CC1 7087263 DLLKKOKIIGNHQH-UHFFFAOYSA-N 351.859 3.800 0 40 FHAB COc1ccc(OC)c(COC(=O)[C@H]2COc3ccc(Cl)cc3C2)c1 7550331 FABCBIJCWRBCBF-CQSZACIVSA-N 362.809 3.652 0 40 FHAB CSc1ccccc1NC(=O)[C@@H](C)Nc1ccc(N2CCCC2=O)cc1 7848569 ORZUTXQFWCGKOO-CQSZACIVSA-N 369.490 3.974 0 40 FHAB CCN(CC)C(=O)c1cccc(NC(=O)CCOc2ccccc2C)c1 8074841 LOWORSXYDZMBQE-UHFFFAOYSA-N 354.450 3.885 0 40 FHAB O=C(Nc1cc2c(cc1C(=O)O)OCCCO2)c1ccc(Cl)s1 8266997 IBBFLIFAQBFAJS-UHFFFAOYSA-N 353.783 3.513 0 40 FHAB CC(=O)Nc1cccc(OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)c1 8314414 ANGMDGGVHXOOSZ-IBGZPJMESA-N 370.449 3.504 0 40 FHAB Cc1ccc(C)c(COC(=O)[C@]23CCC(=O)N2c2ccccc2S3)c1 8724357 AFCIRXAOXHARPQ-HXUWFJFHSA-N 353.443 3.976 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c1C 9378074 BXMGQNVYTARHKM-QGZVFWFLSA-N 352.438 3.838 0 40 FHAB c1ccc(-c2ccc(CSc3nnnn3C[C@H]3CCCO3)cc2)cc1 9481093 CMGANHJADSMQAZ-GOSISDBHSA-N 352.463 3.811 0 40 FHAB O=C(NCc1ccccc1Cn1cccn1)c1cc2ccccc2cc1O 10234903 QOYSVTRZCOJKFE-UHFFFAOYSA-N 357.413 3.720 0 40 FHAB CSc1ccc(CN2CCC(c3cc(N)n4nc(C)cc4n3)CC2)cc1 12121539 USBULJNIYNOGKF-UHFFFAOYSA-N 367.522 3.721 0 40 FHAB Cc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2cc(C)on2)c(C)c1 12506945 CXKQPRUDKFBSGB-AWEZNQCLSA-N 356.451 3.905 0 40 FHAB CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccccc2Br)c1 12602187 PXKNCZJKOCIYFP-NSHDSACASA-N 361.239 3.899 0 40 FHAB O=C(CCCc1nc2ccccc2s1)NC[C@H]1COc2ccccc2O1 12762654 ALUOLHYCZWIONO-AWEZNQCLSA-N 368.458 3.575 0 40 FHAB COc1cccc([C@@H](CNC(=O)Nc2cccc(C)c2)N2CCCC2)c1 12926792 KUPRKEIFCRJRIC-HXUWFJFHSA-N 353.466 3.962 0 40 FHAB COc1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1 12932314 GCVCIIHHTSSARZ-UHFFFAOYSA-N 366.442 3.935 0 40 FHAB COC(=O)C[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 12937416 IVPMZQBDVOQFLY-MRXNPFEDSA-N 366.244 3.957 0 40 FHAB COc1ccc([C@H]2CCCN2CC(=O)NCc2cccc(Cl)c2)cc1 12992613 YAOWRCRIKAQSFK-LJQANCHMSA-N 358.869 3.802 0 40 FHAB CCOc1ccccc1NC(=O)COc1c(C(=O)O)ccc2ccccc12 13086024 BTNCMIOFKCQBHL-UHFFFAOYSA-N 365.385 3.954 0 40 FHAB COc1ccc(NCc2cc3cc4c(cc3[nH]c2=O)CCC4)c(OC)c1 13563462 NBFASJQMGICTPD-UHFFFAOYSA-N 350.418 3.646 0 40 FHAB Cc1cccc(CNC(=O)c2ccccc2I)c1 13632722 SGUVLJHXYUDPLU-UHFFFAOYSA-N 351.187 3.530 0 40 FHAB Cc1cc(=O)n2c3ccccc3nc2n1CC(=O)c1ccc2ccccc2c1 13637004 GMGQFEBDCUEJSI-UHFFFAOYSA-N 367.408 3.994 0 40 FHAB Cc1ccccc1OCCN(C)C(=O)c1cc(C2CC2)nc2onc(C)c12 14137558 GKHCZMNFCWYPTE-UHFFFAOYSA-N 365.433 3.868 0 40 FHAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cccc(F)c1 14234939 XVEUEQWJQXJQSQ-UHFFFAOYSA-N 357.410 3.524 0 40 FHAB Brc1ccc([C@@H]2C[C@H](c3cccs3)n3nnnc3N2)s1 15866379 WNEVZIOUBIOQKQ-JGVFFNPUSA-N 368.285 3.705 0 40 FHAB COc1cc(/C=C/C(=O)O)ccc1OCc1nc2ccccc2nc1C 16265355 DXYSHIAISMTRFR-CSKARUKUSA-N 350.374 3.624 0 40 FHAB CCCc1nn(CC(=O)Nc2ccc(C)c(C)c2)c(=S)n1-n1cccc1 16777843 OVZZSKHTNIXMOT-UHFFFAOYSA-N 369.494 3.735 0 40 FHAB CCC(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1ccc(C)cn1 19499293 IOAFWPJHOSUQOQ-UHFFFAOYSA-N 352.413 3.586 0 40 FHAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)NCCCn1ccnc1 20719824 OXELJVDEKKTVGS-UHFFFAOYSA-N 358.445 3.711 0 40 FHAB O=C(Nc1ccc(Cl)cc1F)N1CCN(Cc2cccc(F)c2)CC1 20769236 NFMRDQCWSKUHPM-UHFFFAOYSA-N 365.811 3.968 0 40 FHAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc2c(c1)OCCCO2 21934428 RNCXUQHPTXYXTJ-UHFFFAOYSA-N 371.433 3.527 0 40 FHAB CC[C@@H](Sc1nnc(C)c2cnn(-c3ccc(C)c(C)c3)c12)C(=O)OC 23137794 XKPCZBRVJPNOLN-MRXNPFEDSA-N 370.478 3.784 0 40 FHAB O=C(Nc1ccc(N2CCCCC2)nc1)c1c[nH]nc1-c1ccc(F)cc1 25065082 JSHTVORZWWJFJV-UHFFFAOYSA-N 365.412 3.853 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)NC[C@H](c3cccs3)N(C)C)cc2)n1 25784803 BUZPZNBDKZINCG-GOSISDBHSA-N 368.506 3.583 0 40 FHAB CN(Cc1cccc(NC(=O)Cc2ccc(F)cc2)c1)C(=O)C(F)(F)F 25973860 MNCNUINTKPWHPP-UHFFFAOYSA-N 368.330 3.528 0 40 FHAB CC(=O)NCCCn1c(C)cs/c1=N\c1ccc(Cl)cc1Cl 28105334 BHTNFZQIBAFDIW-CYVLTUHYSA-N 358.294 3.923 0 40 FHAB COc1ccc(N2CCCN=C2NC(=O)c2ccc(C)cc2)cc1Cl 28535560 SEWGUYOUVDTAHU-UHFFFAOYSA-N 357.841 3.653 0 40 FHAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CCN1C(=O)COc2ccccc21 30315861 PGGJJPNIWGZNFI-CQSZACIVSA-N 372.852 3.675 0 40 FHAB CCc1cccc(CC)c1NS(=O)(=O)Cc1ccc(C(=O)OC)cc1 30852120 FXYPLOJRTCJKRS-UHFFFAOYSA-N 361.463 3.540 0 40 FHAB CCCn1c2ccccc2c2nnc(S[C@@H](C)c3nc(C)no3)nc21 32778401 RDZXZEJVVIBDCI-JTQLQIEISA-N 354.439 3.934 0 40 FHAB O=C(CSc1nncn1Cc1ccco1)c1ccc2c(c1)CCCC2 32869321 RFZAQQXUIJKAFS-UHFFFAOYSA-N 353.447 3.773 0 40 FHAB COc1ccc(C(=O)CCC(=O)N2c3ccccc3C[C@@H]2C)cc1OC 32901305 RHHJRBGAQCVCLU-AWEZNQCLSA-N 353.418 3.645 0 40 FHAB Cc1ccc(C)c(NC(=O)CCn2cnc3c([nH]c4ccc(C)cc43)c2=O)c1 35424227 AGIFKDCMHRWEFC-UHFFFAOYSA-N 374.444 3.832 0 40 FHAB c1ccc(-n2cc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cn2)cc1 40024165 HEOFURXSFIKZMB-FQEVSTJZSA-N 361.445 3.981 0 40 FHAB O=C(CSc1ccc(F)cc1)NCCNc1ccc(C(F)(F)F)cn1 40080737 RBFAONMVLLPGBC-UHFFFAOYSA-N 373.375 3.560 0 40 FHAB Brc1ccc(OCCC2CCNCC2)c(Br)c1 42772157 XNEVCJJAKANYGD-UHFFFAOYSA-N 363.093 3.980 0 40 FHAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCCN1CCc2ccccc21 44883853 JNSPRENALBYRLC-NRFANRHFSA-N 352.478 3.721 0 40 FHAB O=C(NCCCc1ccc(Cl)cc1)c1ccc(CN2CCOCC2)cc1 44906421 QNGWNQCMQCXRQS-UHFFFAOYSA-N 372.896 3.535 0 40 FHAB Cc1ccc(CN(C)C(=O)CNc2ccc(C(F)(F)F)cn2)c(C)c1 48312569 HWXWOGGYIUANAG-UHFFFAOYSA-N 351.372 3.788 0 40 FHAB O=C(Nc1nncs1)c1[nH]c2ccc(Br)cc2c1Cl 48797280 AMXAXCCQRHSXKJ-UHFFFAOYSA-N 357.620 3.688 0 40 FHAB Cc1cccnc1NC(=O)[C@@H]1CCCN(C(=O)NC2CCCCCCC2)C1 56370906 HNNMNVJTWXUBCM-QGZVFWFLSA-N 372.513 3.863 0 40 FHAB Cc1nnc(SC[C@H](O)COc2ccc3ccccc3c2)n1C1CC1 58162129 MBTICHHRUAKBMZ-QGZVFWFLSA-N 355.463 3.607 0 40 FHAB Cc1noc2ncc(C(=O)Nc3ccc(Sc4nncs4)cc3)cc12 58407515 BLTGOGVTPRAPLW-UHFFFAOYSA-N 369.431 3.786 0 40 FHAB Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc4c(c3)C(=O)NC4)s2)o1 58749208 OMRRBODRSWAPPS-UHFFFAOYSA-N 353.403 3.516 0 40 FHAB CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)/C=C/c1ccc(C(C)(C)C)cc1 60348052 BMRFNQBFEWCNTR-XLNAKTSKSA-N 374.550 3.814 0 40 FHAB O=c1[nH]n(C2CCCC2)c2c1[C@H](c1ccc(F)c(F)c1F)CC(O)=N2 71283245 ZIIFDADDYDGEJB-JTQLQIEISA-N 351.328 3.832 0 40 FHAB O=C(O)c1ccc([C@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCC2)cc1 71283517 ZUHVTQMFCPYMDK-CQSZACIVSA-N 355.394 3.503 0 40 FHAB Clc1cccc(Cn2nc(Br)nc2Br)c1 71978810 PVZJFTKYKIORIG-UHFFFAOYSA-N 351.429 3.505 0 40 FHAB O=C(CCc1ccccc1)N1CCC[C@@H](c2cccc(-n3ccnc3)n2)C1 72378520 YUJOPQPWYLEUEB-LJQANCHMSA-N 360.461 3.606 0 40 FHAB COc1ccccc1-c1ccc(=O)n(CN2C[C@]3(C)C[C@H]2CC(C)(C)C3)n1 72403143 AISXYADEAKLWAX-OPAMFIHVSA-N 367.493 3.777 0 40 FHAB CCCOc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1OCCC 72414189 UFAYWHRYNZHMDC-HNNXBMFYSA-N 355.500 3.685 0 40 FHAB Cc1ccc2nc(N3CC(C(=O)N[C@H](C)c4ccccc4)C3)sc2c1 75172315 KNJYQCMMZJBALH-CQSZACIVSA-N 351.475 3.918 0 40 FHAB COc1ccc(NC(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C(C)C)cc1 79111376 OBDOERBTQRSYRI-LJQANCHMSA-N 365.474 3.756 0 40 FHAB C[C@@H](Nc1ccc(NC(=O)[C@H]2COCCO2)cc1Cl)c1ccccc1 84660440 HUSXGZHMJLXAMS-FZKQIMNGSA-N 360.841 3.867 0 40 FHAB C[C@@H](NCc1ccc(COC2CCOCC2)cc1)c1ccc2c(c1)OCO2 90723613 YPRAQOCDXQEMHW-MRXNPFEDSA-N 369.461 3.962 0 40 FHAB CCOc1cc2c(cc1NC(=O)c1ccc3c(n1)CCCC3)O[C@H](C)C2 95432703 SKRICCRPRRQDMN-CYBMUJFWSA-N 352.434 3.935 0 40 FHAB CC(C)C(=O)N1CC[C@H](OCc2ccncc2)[C@@H](Cc2ccccc2)C1 96111195 OIDZAAROHUBZBV-SFTDATJTSA-N 352.478 3.714 0 40 FHAB CSc1ccc(/C=C/C(=O)Nc2ccc3c(c2)N(C(C)=O)CC3)cc1 96120175 HJDREEWSFIGVJZ-BJMVGYQFSA-N 352.459 3.969 0 40 FHAB CC[C@@H](c1ccc(OC)c(OC)c1)N1CCC(CC(=O)N2CCCC2)CC1 97102134 BRCDZTCBXFBEBZ-IBGZPJMESA-N 374.525 3.879 0 40 FHAB COc1ccc(N[C@H]2CO[C@@]3(CCN(Cc4ccc(C)s4)C3)C2)cc1 107728478 XNHUGRVAURQNRN-XLIONFOSSA-N 358.507 3.911 0 40 FHAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 169682328 AHRHOXMJGPWESI-FBTNWIDXSA-N 367.754 3.916 0 40 FHAB CCc1cccc(CC)c1NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 222453806 CKEUXTQQFPTZAB-UHFFFAOYSA-N 374.506 3.768 0 40 FHAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccs2)N1Cc1ccncc1 223483161 KVRSAUAFGMNYJC-DLBZAZTESA-N 352.488 3.711 0 40 FHAB O=C(NC[C@@](O)(c1ccco1)c1cccs1)C1(c2ccc(F)cc2)CC1 225587506 JGZWLJRUGUFGFK-HXUWFJFHSA-N 371.433 3.564 0 40 FHAB O=C(COc1cccc(C(F)(F)F)c1)NCCSCc1ccco1 225810546 PKZRFYBFJDYYIG-UHFFFAOYSA-N 359.369 3.727 0 40 FHAB O=C(Oc1ccccc1-c1cc2n(c(=O)n1)CCCCC2)c1ccccc1 226820236 ZYGFTPIUIJOZJL-UHFFFAOYSA-N 360.413 3.856 0 40 FHAB O=C(NC[C@@](O)(c1ccsc1)c1ccco1)c1ccc2ncsc2c1 390827692 JFEORPNACYGLKB-GOSISDBHSA-N 370.455 3.617 0 40 FHAB O=C(NCc1ccccc1)Nc1ccccc1-c1cn2c(n1)SCC2 390827874 LJVRLGULNRBZQL-UHFFFAOYSA-N 350.447 3.978 0 40 FHAB Cc1ccc(NC(=O)C(=O)NCCC2CCCCC2)c(Br)c1 408707752 DNTILLPOEVGDML-UHFFFAOYSA-N 367.287 3.783 0 40 FHAB C[C@@H]1C[C@@H](NC(=O)N2CCC(Cc3cccc(F)c3F)CC2)c2nccn21 516850304 HZBHPIWQVUXUNT-CXAGYDPISA-N 374.435 3.831 0 40 FHAB Cc1cc(=NC(=O)N2CC(Cc3ccccc3Br)C2)c(C)c[nH]1 626470109 ZSXDJNAPIQARKC-UHFFFAOYSA-N 374.282 3.589 0 40 FHAB COCc1cc(Cl)ccc1NC(=O)NC[C@@H]1Cc2ccccc2CO1 626593005 DIHMQAZJMVIDFR-KRWDZBQOSA-N 360.841 3.749 0 40 FHAB Cc1cnc(OC2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)nc1 656214318 RDJUQEVYOBEKAA-UHFFFAOYSA-N 372.778 3.900 0 40 FHAB CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)Nc1ccc(N(C)C(C)=O)cc1 678462647 KENQACUNFVPBPS-BFUOFWGJSA-N 373.428 3.706 0 40 FHAB Brc1ccc(CN2CCC(COc3cnccn3)CC2)cc1 1849207118 YHEBLGVOZGORJK-UHFFFAOYSA-N 362.271 3.530 0 40 FHAB Clc1cnc(OC2CCN(Cc3csc(C4CC4)n3)CC2)nc1 1888843497 FGJZHKBTRYOODY-UHFFFAOYSA-N 350.875 3.507 0 40 FHAB CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nc2ccccc21 885384 QKKRWCXXLIPVNE-UHFFFAOYSA-N 369.446 3.574 0 40 FHAB Fc1ccc(Nc2ncnc3c2nnn3Cc2ccccc2Cl)cc1 1035498 YZKVSQLDDAJLPH-UHFFFAOYSA-N 354.776 3.806 0 40 FHAB O=C1CC[C@H]2S/C(=C/Nc3ccc(Oc4ccccc4)cc3)C(=O)N12 1392234 MHYYIKHYJPZWFH-FXFXYLOPSA-N 352.415 3.954 0 40 FHAB CCn1ncc(-c2ccnc3cc(C(=O)Nc4ccc(C)c(C)c4)nn23)c1C 2797743 VEMRXFWTZSZSDH-UHFFFAOYSA-N 374.448 3.790 0 40 FHAB CCOc1ccc(C(=O)OCC(=O)c2ccc(OC)cc2)cc1OCC 3302481 NXOBFKAVXMVPND-UHFFFAOYSA-N 358.390 3.532 0 40 FHAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3)cc2)C1 3480953 OYHYENMRXKPTKK-HZPDHXFCSA-N 372.490 3.606 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1N1CCOCC1 3560496 CVOOQDOSLNPFGL-CQSZACIVSA-N 360.841 3.583 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H](CC(C)C)NC(=O)C2CCCCC2)c1 3895777 MSPYAQSRENUYSV-LJQANCHMSA-N 358.482 3.939 0 40 FHAB Cc1ccc(-n2c(C)nn(-c3ncc(C(F)(F)F)cc3Cl)c2=O)cc1 4089071 YAJPGRLCOCGMDL-UHFFFAOYSA-N 368.746 3.707 0 40 FHAB COc1cccc2cc(C(=O)Nc3cccc(Br)c3)c(=N)oc12 4671933 PGXPMCWXJOOSQQ-UHFFFAOYSA-N 373.206 3.936 0 40 FHAB Cc1cc2ccccc2n1CC(=O)N1CCN(c2cccc(Cl)c2)CC1 4682648 QVFORGBBUCPOGP-UHFFFAOYSA-N 367.880 3.952 0 40 FHAB O=C(O)CCCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 5024695 RXBZSBOWWPVZDN-OAHLLOKOSA-N 360.410 3.820 0 40 FHAB COc1cccc2sc(N(CCN(C)C)C(=O)c3cccs3)nc12 5115519 SGSXTAFQGWLRFI-UHFFFAOYSA-N 361.492 3.575 0 40 FHAB C[C@@H](NC(=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1 5195865 GJTABTPUGRYYJH-CJNGLKHVSA-N 357.841 3.506 0 40 FHAB COc1ccc([C@H]2c3cccn3CCN2C(=O)NCc2ccccc2)cc1 5256190 XJFSPXLVFZXKEP-NRFANRHFSA-N 361.445 3.812 0 40 FHAB CCc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)s1 5329312 DIPDUGKIWJMEHB-UHFFFAOYSA-N 364.492 3.547 0 40 FHAB Cc1nc2ccc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)cc2s1 5578259 JFOBTZFIGGADNK-HNNXBMFYSA-N 365.458 3.592 0 40 FHAB CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(F)cc2)c1 5842306 DXHWAIAYWFSGCC-UHFFFAOYSA-N 359.426 3.547 0 40 FHAB O=C(Nc1ccccc1F)c1nn(Cc2ccccc2)c(=O)c2ccccc12 6215705 WNOVLPOFFYGLJS-UHFFFAOYSA-N 373.387 3.836 0 40 FHAB CCOc1ccc(Nc2nnc(Cc3ccc(Cl)cc3)c(=O)[nH]2)cc1 6721974 LRKRYDAODUQXNO-UHFFFAOYSA-N 356.813 3.551 0 40 FHAB COc1cccc(-c2nnc(SC[C@@H]3CCCO3)n2Cc2ccco2)c1 7113393 NRCUSMAQGRSHJQ-KRWDZBQOSA-N 371.462 3.866 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)Sc2nccn2-c2cccc(C)c2C)no1 7179627 UARSHEURLKUAJG-CQSZACIVSA-N 356.451 3.905 0 40 FHAB CC(C)Cc1ccc([C@H](C)NC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1 7405002 VGRZICIJPIQNOA-INIZCTEOSA-N 373.518 3.921 0 40 FHAB O=C(CSCC(=O)Nc1ccccc1Cl)Nc1ccccc1F 8286562 WVXPJOLUQLDPME-UHFFFAOYSA-N 352.818 3.790 0 40 FHAB COC(=O)c1cccc(CN2C(=O)S/C(=C\c3ccccc3)C2=O)c1 8378301 JQVBEPMGKOVXLM-WJDWOHSUSA-N 353.399 3.710 0 40 FHAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)c(C)n2)cc1 8395835 YYCIRDXUODWVNO-UHFFFAOYSA-N 364.268 3.588 0 40 FHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2)cc1Cl 8416131 BTYJOXYPPCOWTM-UHFFFAOYSA-N 374.824 3.549 0 40 FHAB CCOC(=O)NC(=O)CSc1nc2ccccc2n1-c1ccc(C)cc1 8724061 MNDYIRYCGHZSEP-UHFFFAOYSA-N 369.446 3.699 0 40 FHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccccc1OC(F)F 8924743 LNENBHYTPNELAO-ZDUSSCGKSA-N 372.375 3.702 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 8993707 KWYZOGNSHILEAY-DGCLKSJQSA-N 363.508 3.694 0 40 FHAB CCOc1ccc(C(=S)N2CCN(c3ccccc3)CC2)cc1OC 9189289 KCUOYSWGZZHOTH-UHFFFAOYSA-N 356.491 3.592 0 40 FHAB CCOc1ccc(Nc2nc(C(=O)Nc3nnc(C)s3)cs2)cc1 9208932 QXDYMSNVZLCSJL-UHFFFAOYSA-N 361.452 3.698 0 40 FHAB COc1ccccc1[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1nccn1C 9318347 HZFMYFXHEQZHHS-QGZVFWFLSA-N 370.840 3.993 0 40 FHAB Cc1ccccc1[C@H]1CC(=O)c2c(C)nc(NC[C@H]3CCCO3)nc2C1 9575420 MSZXKCNVXIPWOV-HZPDHXFCSA-N 351.450 3.597 0 40 FHAB CC[C@@H](OC(=O)c1cc2ccc(F)cc2nc1C)C(=O)Nc1cc(C)on1 9836491 MBPRVGUOOGZJQH-MRXNPFEDSA-N 371.368 3.553 0 40 FHAB COc1cc(OC)c(NC(=O)c2cncc(Br)c2)cc1Cl 10025885 HBYFZDPSCGERMC-UHFFFAOYSA-N 371.618 3.767 0 40 FHAB CC(=O)c1cc(C(=O)OCC(=O)Nc2ccc(C)c(C)c2)c2ccccn12 10272923 PIGAIJOPNCGNGD-UHFFFAOYSA-N 364.401 3.554 0 40 FHAB COc1ccc(Cc2nnc3sc(-c4cccs4)nn23)cc1OC 10311842 PTTCEHVAKMDGIE-UHFFFAOYSA-N 358.448 3.522 0 40 FHAB O=C(CSc1nc(C2CC2)n[nH]1)N[C@@H](c1ccccc1)c1cccs1 11474394 WBMJCDDFSPJXCL-INIZCTEOSA-N 370.503 3.742 0 40 FHAB CCOCc1nnc(NC(=O)c2[nH]c3c(Cl)cccc3c2C)s1 12202210 LGECLWWVKUKCHH-UHFFFAOYSA-N 350.831 3.770 0 40 FHAB COc1ccc2c(c1)C=C(CN1CCC(O)(c3ccc(F)cc3)CC1)CO2 12240649 KNWMVURKSJSTRH-UHFFFAOYSA-N 369.436 3.594 0 40 FHAB O[C@@H](CN1CCC(O)(c2ccc(F)cc2)CC1)c1ccc2ccccc2c1 12292283 LYENZSBRFYCBRW-QFIPXVFZSA-N 365.448 3.996 0 40 FHAB COc1ccc(NC(=O)C2=C(c3ccccc3)SCCO2)c(OC)c1 12390730 JYKDYSWNAQEMJZ-UHFFFAOYSA-N 357.431 3.775 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 12514502 KUAARFDPXRLTND-OAHLLOKOSA-N 374.868 3.891 0 40 FHAB CSc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 12541969 FLVBTBIOOTXJLH-UHFFFAOYSA-N 358.282 3.972 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)N[C@H](C)c3cccc(Cl)c3)CC2=O)cc1 12787188 CEPINYPNQJOEHX-GDBMZVCRSA-N 356.853 3.879 0 40 FHAB CCN1CCc2nc(NC(=O)COc3ccc4ccccc4c3)sc2C1 12804712 AQVBTHCLQVMSPR-UHFFFAOYSA-N 367.474 3.692 0 40 FHAB CCc1cccc(C)c1NC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21 12855725 ARVFFYASGTYQSC-OAHLLOKOSA-N 352.434 3.700 0 40 FHAB COc1cccc(/C=C/C(=O)NCC2(c3ccccc3)CCC2)c1OC 12918586 OTNSKJPQDRNVOA-OUKQBFOZSA-N 351.446 3.955 0 40 FHAB Cc1nc2cc(NC(=O)c3ccc(OCC(F)(F)F)nc3)ccc2o1 14367367 QNVBTBGJEHRUJJ-UHFFFAOYSA-N 351.284 3.725 0 40 FHAB C[C@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccs1 14602755 VJKARVIALLGVPW-ZDUSSCGKSA-N 360.454 3.617 0 40 FHAB C[C@@H](Sc1nnnn1C1CCCCC1)C(=O)c1ccc(F)c(F)c1 14676328 RJFNPDDOGCSGNC-SNVBAGLBSA-N 352.410 3.820 0 40 FHAB CCc1nc2cc(NC(=O)c3cc(C(F)(F)F)[nH]n3)ccc2n1CC 19523218 BLRHQMDAOVCBOB-UHFFFAOYSA-N 351.332 3.613 0 40 FHAB O=C(CCC1CCCCC1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 20494705 SLHXZXYWUQHXHO-KRWDZBQOSA-N 358.482 3.894 0 40 FHAB CN(C)C1(CNCC(=O)Nc2ccc(Cl)cc2Cl)CCCCC1 22038366 ZJLWJYXYTXXSMI-UHFFFAOYSA-N 358.313 3.786 0 40 FHAB O=C(Nc1ccccc1-c1nc(COc2ccccc2)no1)c1ccncc1 22464375 PFUUQZCNYAUNCT-UHFFFAOYSA-N 372.384 3.963 0 40 FHAB CC(C)C(=O)N1CCCc2cc(NC(=O)NCc3ccccc3)ccc21 22504380 APJMKDHNQWMIAN-UHFFFAOYSA-N 351.450 3.944 0 40 FHAB O=C(CSCc1cccs1)NCc1ccccc1CN1CCCC1 24189884 XRHQTAHNFZSQEG-UHFFFAOYSA-N 360.548 3.894 0 40 FHAB C[C@@H](NC(=O)CCc1cnn(-c2ccccc2)c1)c1ccc(F)c(F)c1 24353753 ZJWJEKXKPVFAQM-CQSZACIVSA-N 355.388 3.961 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)C1(CC(=O)NC(C)(C)C)CCCC1 24540762 MVZNYPWKZUNJGC-QGZVFWFLSA-N 358.526 3.989 0 40 FHAB COc1cccc(N2C[C@H](C(=O)N[C@H](C)c3cccc(Cl)c3)CC2=O)c1 24748130 GCRCYGSGDDPXJX-UKRRQHHQSA-N 372.852 3.579 0 40 FHAB CCn1c(SCc2nc(-c3ccco3)no2)nnc1-c1cccs1 24830825 NXXQEPLUVYZTKN-UHFFFAOYSA-N 359.436 3.962 0 40 FHAB CC(C)OCCCNC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 24841428 LCVGODPGNIHQIT-UHFFFAOYSA-N 370.478 3.541 0 40 FHAB CC(C)[C@@H](NC(=O)CCNC(=O)Nc1ccccc1)c1ccc(F)cc1 25158859 VXMLHZYYOGBOGB-LJQANCHMSA-N 357.429 3.851 0 40 FHAB CN(C)[C@@H](CNC(=O)Cc1ccc(Cl)c(Cl)c1)Cc1ccccc1 27582792 NJZRKWPVVMMHDK-MRXNPFEDSA-N 365.304 3.825 0 40 FHAB Brc1cc2c(cc1CN(Cc1ccco1)C1CC1)OCCO2 28072760 VRTOGYMUASJLES-UHFFFAOYSA-N 364.239 3.978 0 40 FHAB O=C(Nc1ccc(Cl)cc1)c1cccc(CN2C(=O)CSC2=O)c1 29509201 PPRXSNOMXKWDBO-UHFFFAOYSA-N 360.822 3.788 0 40 FHAB CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1 32601614 LNRVLNGTENHCRD-UHFFFAOYSA-N 363.435 3.708 0 40 FHAB O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1cnn2cccnc12 32764491 UYRMTZCRLMONKG-GOSISDBHSA-N 362.820 3.902 0 40 FHAB Cc1cc(C)c(OCC(=O)O[C@@H](C)C(=O)N(C)Cc2ccccc2)c(C)c1 32945564 AWBGIIZJGYFFHE-SFHVURJKSA-N 369.461 3.581 0 40 FHAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)c1c[nH]c2ccc(F)cc12 35833116 OZTPYEBXDBBANF-UHFFFAOYSA-N 371.843 3.965 0 40 FHAB CCOc1ccc(C(=O)c2cccc(I)c2)cc1 37358246 LLKVBOCAECOAMP-UHFFFAOYSA-N 352.171 3.921 0 40 FHAB COc1cc(NC(=O)NCc2ccc(Cl)cc2)ccc1N1CCCC1=O 38696468 ILEAHVBIAXXXSW-UHFFFAOYSA-N 373.840 3.797 0 40 FHAB O=C(Nc1cccc(-c2nnco2)c1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 44086229 CVYVWKGRIIUYAE-YPMHNXCESA-N 354.332 3.979 0 40 FHAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1Cl 44885550 RTSLVTJDJFCVMW-UHFFFAOYSA-N 359.234 3.617 0 40 FHAB Cc1ccc(NC(=S)NCc2ccccc2CN2CCCC2=O)cc1C 45704404 LKZDFCSUQMTFHH-UHFFFAOYSA-N 367.518 3.912 0 40 FHAB O=C(c1cc(-c2cccnc2)on1)N1CCC(OCc2ccccc2)CC1 48250573 HVRIANVGNDHRKU-UHFFFAOYSA-N 363.417 3.558 0 40 FHAB CC(C)Oc1ccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 48344735 ORKLKNXFLPDVQC-UHFFFAOYSA-N 352.434 3.782 0 40 FHAB C[C@@H](Nc1ccc(F)c(NC(=O)c2ccsc2)c1)C(=O)NC(C)(C)C 56158146 MTWGWAHQAGANKU-LLVKDONJSA-N 363.458 3.855 0 40 FHAB COc1ccccc1-c1nc(C(=O)N(C)Cc2c(C)noc2C)cs1 58796416 NTSKXAAOJGSQJS-UHFFFAOYSA-N 357.435 3.696 0 40 FHAB O=C(NCCNc1ncccc1C(F)(F)F)Nc1cccc(Cl)c1 59337117 VJSJFKHDPCJWMI-UHFFFAOYSA-N 358.751 3.987 0 40 FHAB Cc1cccc(NC(=O)Cn2ccc3ccn(Cc4ccccc4)c3c2=O)c1 62007324 GQBGTVRRRIEGMW-UHFFFAOYSA-N 371.440 3.798 0 40 FHAB CCOC(=O)NC1CCC(OC(=O)CCCOc2ccccc2F)CC1 66540828 ATVMCTGBYPBGIF-UHFFFAOYSA-N 367.417 3.585 0 40 FHAB Cc1cc(=O)c(C(=O)N(C2CCC(C)CC2)C2CC2)nn1-c1ccccc1 71800815 VYXAYZVRNYJJJI-UHFFFAOYSA-N 365.477 3.724 0 40 FHAB CCOC(=O)N(C)c1ccc(NC(=O)c2cccnc2NC(C)C)cc1 72289287 XVQUQLMCQFXCHA-UHFFFAOYSA-N 356.426 3.747 0 40 FHAB CC(C)CCn1cc(C(=O)N[C@H]2CCOC(C)(C)C2)c2ccccc2c1=O 72325666 RBJYCTGPPIANSL-INIZCTEOSA-N 370.493 3.735 0 40 FHAB biogenic Cc1cccc(Nc2cccc([C@H]3CCCN3C(=O)c3cccnc3)n2)n1 72380432 JWCLAQFTUFUNLB-GOSISDBHSA-N 359.433 3.901 0 40 FHAB Oc1cc(C2CCN(Cc3cccc(F)c3)CC2)nc(-c2ccncc2)n1 72392694 LWBNGQUSWLJOKE-UHFFFAOYSA-N 364.424 3.763 0 40 FHAB CC(C)CC(=O)Nc1ccccc1C(=O)NCCCNc1ccccc1 75092772 WQCZXZFPSXDWRC-UHFFFAOYSA-N 353.466 3.903 0 40 FHAB Cc1noc(C)c1CNC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 84023519 JKKKPJLTRVQWSA-UHFFFAOYSA-N 364.449 3.811 0 40 FHAB COc1ccccc1Cc1nnc(S[C@H]2CCc3ccccc3C2=O)o1 89473783 IXPSTTKLCFQLOB-KRWDZBQOSA-N 366.442 3.959 0 40 FHAB C[C@@H]1SCCN(C(=O)Nc2cccc(Cl)c2N2CCOCC2)[C@H]1C 89920027 BOLGHZIGRQHELJ-STQMWFEESA-N 369.918 3.534 0 40 FHAB O=C(c1ccccc1Cl)N1CCC(Oc2cnc3ccccc3n2)CC1 90678321 VSJJBZWPVWNGAP-UHFFFAOYSA-N 367.836 3.967 0 40 FHAB CC(C)(C)OC(=O)N1CC[C@@H]2Nc3ccc(Br)cc3[C@@H]2C1 91302786 YMSAVEMRGDWREM-JSGCOSHPSA-N 353.260 3.968 0 40 FHAB O=C(OC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(Cl)c1F 95418619 RVJQPXBOYWEKNK-AWEZNQCLSA-N 361.800 3.685 0 40 FHAB Cc1ccc(CCCC(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)s1 95451213 UZTPGSGFOOOFQC-RDTXWAMCSA-N 365.445 3.992 0 40 FHAB C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCN(Cc2ccccc2F)CC1 95939073 CRTWKAFNHGSBKN-MRXNPFEDSA-N 365.452 3.696 0 40 FHAB C[C@H]1C[C@H]1C(=O)NC[C@H]1CC[C@H](c2ncncc2-c2ccccn2)CC1 100152664 XRILZVPAHAXQEN-MWDXBVQZSA-N 350.466 3.585 0 40 FHAB CCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2cc(F)cc(F)c21 100909272 LTVJFMYVAFKTEK-UZYVYHOESA-N 360.385 3.945 0 40 FHAB CC[C@H](C)Oc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1 150229098 XZLZJRROAMQAGL-CYUIRQCWSA-N 350.443 3.634 0 40 FHAB COc1ccc(CCCNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1OC 219309554 XAFYOVALPXHTRC-QGZVFWFLSA-N 371.477 3.837 0 40 FHAB Cc1ccccc1CSCCNC(=O)CCc1ccc2c(c1)OCO2 222649367 QOODCRMBNCRKDM-UHFFFAOYSA-N 357.475 3.706 0 40 FHAB COc1ccc2c(c1)[C@H](NC(=O)COc1ccc(C)cc1)CC(C)(C)O2 222762713 VYUYYLSWZHJZAW-GOSISDBHSA-N 355.434 3.801 0 40 FHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C 225012482 BMMFMBJZJZOERF-MOPGFXCFSA-N 354.523 3.952 0 40 FHAB COc1cc(C)c(S(=O)(=O)Nc2cccc(Br)c2)cc1C 225210206 ONQVHPYJLVGVCA-UHFFFAOYSA-N 370.268 3.875 0 40 FHAB Cc1ccc(NC(=S)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 225455037 ZZRIVDURPNXVIC-INIZCTEOSA-N 369.490 3.713 0 40 FHAB Cc1ccc(-c2nnc(NS(=O)(=O)c3cc(C)ccc3C)s2)cc1 225660694 CWDCXAFSJLAQGL-UHFFFAOYSA-N 359.476 3.931 0 40 FHAB Cc1nc([C@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)O)o3)C2)no1 257250079 JKYDEPBNCYURPM-AWEZNQCLSA-N 367.405 3.716 0 40 FHAB Cc1noc(C)c1CCC(=O)N1C[C@H]2C[C@H](Oc3ccccc3)C[C@H]2C1 257294392 QTXFLYHIRFSSIE-DZFIZOCASA-N 354.450 3.540 0 40 FHAB CN1CCCCC[C@@H]2N(C(=O)c3cnccn3)[C@H](c3ccccc3)C[C@@]21C 257315727 VCNQIFXGTFATPU-ONTIZHBOSA-N 364.493 3.697 0 40 FHAB O=C(C1CCC1)N1Cc2ccccc2[C@@H](c2nccn2Cc2cccnc2)C1 306127562 GBZZYBUDCHYVMD-NRFANRHFSA-N 372.472 3.601 0 40 FHAB C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccccc1 408708444 QFGKJOOTXLFAGR-HOCLYGCPSA-N 356.853 3.613 0 40 FHAB CC[C@H](C)Oc1ccccc1/C=c1\sc2nc3ccccc3n2c1=O 408903823 ZYNAFUYSTWZLLO-CYUIRQCWSA-N 350.443 3.634 0 40 FHAB NC(=O)c1cc(NC(=O)C2(c3cc(F)cc(F)c3)CCCC2)ccc1F 527898794 SVVRFAYBLOQONS-UHFFFAOYSA-N 362.351 3.653 0 40 FHAB Clc1ccccc1[C@@H]1CN(c2nc(C3CCOCC3)ns2)CCO1 663544322 YZUZEWRBXMKDAB-HNNXBMFYSA-N 365.886 3.663 0 40 FHAB O=C(NCc1cn(-c2cccs2)nn1)c1ccc(-c2ccsc2)cc1 675008379 VEHAVTCFYGUCQC-UHFFFAOYSA-N 366.471 3.987 0 40 FHAB O=C1C[C@]2(CCCN(Cc3cccs3)CC2)Nc2ccccc2CN1 1615525841 MUWODGZRODMWLY-HXUWFJFHSA-N 355.507 3.605 0 40 FHAB C[C@@H]1CCc2c(sc(NC(=O)Cc3ccc(Cl)cc3)c2C(N)=O)C1 2734417 RKHWVNBHUONEAC-SNVBAGLBSA-N 362.882 3.806 0 40 FHAB Cc1c(S(=O)(=O)c2ccc(F)cc2)c(N)n(Cc2ccccc2)c1C 12372599 PCPNJUBREWVWOR-UHFFFAOYSA-N 358.438 3.707 0 40 FHAB CCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(C)=O)cc2c1 1366923 LWEHAPYBPKEUND-UHFFFAOYSA-N 356.447 3.537 0 40 FHAB CCOC(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 755389 ZPTVCTZZPHMRHB-UHFFFAOYSA-N 362.433 3.575 0 40 FHAB O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1Cl 53749952 HNUCTSZVYLJFTO-UHFFFAOYSA-N 373.261 3.589 0 40 FHAB C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCN(Cc2cccs2)CC1 22792604 HPNVTDUKRNRVSG-OAHLLOKOSA-N 353.491 3.618 0 40 FHAB CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2)cc1OCC 944587 LEXZTPUUJWPCBQ-ACCUITESSA-N 369.417 3.679 0 40 FHAB CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccoc1C 4860619 JFIWGFCHPSJAGI-UHFFFAOYSA-N 360.414 3.736 0 40 FHAB COCCN(C(=O)c1ccc(C)cc1)c1nnc(-c2ccc(F)cc2)s1 4880311 CWUIQEQEGRHZCJ-UHFFFAOYSA-N 371.437 3.946 0 40 FHAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2C1CC1)c1ccc(Br)cc1 4886665 QMICLPQCRGCPHT-ZXFUBFMLSA-N 363.299 3.727 0 40 FHAB CCCNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2 4952879 ZCSDBIUPKZBMIC-CABZTGNLSA-N 358.389 3.745 0 40 FHAB Cc1ccc(N2C(=O)N(CN(C)Cc3ccc(Cl)cc3)C(=O)[C@H]2C)cc1 23731049 VASVRBWNVPUSSE-OAHLLOKOSA-N 371.868 3.895 0 40 FHAB CCc1ccc(C(=O)CCC(=O)N(C)Cc2ccc3c(c2)OCO3)cc1 23750511 JOSNTFMPQOKLHS-UHFFFAOYSA-N 353.418 3.599 0 40 FHAB Cc1cc(C)n(-c2ccc(CNC(=O)NCCC3=CCCCC3)cn2)n1 42836885 CQBBDICIRLHUQM-UHFFFAOYSA-N 353.470 3.574 0 40 FHAB COc1ccc(-c2nonc2NC(=O)c2ccc(Br)cc2)cc1 8915675 RFFTVIRMJNYSOD-UHFFFAOYSA-N 374.194 3.760 0 40 FHAB Cc1cnc(C(=O)N(C)[C@@H](C)c2ccc(-n3cnc4ccccc43)cc2)cn1 12549433 DNRSJMHYINQRMQ-INIZCTEOSA-N 371.444 3.957 0 40 FHAB COc1ccccc1Cn1c(CNC(=O)c2ccco2)nc2ccccc21 12539634 JPHWYPCWULYKOS-UHFFFAOYSA-N 361.401 3.616 0 40 FHAB Cc1ccccc1N1C(=O)C[C@H](N(C)Cc2c(F)cccc2Cl)C1=O 103022683 BLNUOUXNMVPEJT-KRWDZBQOSA-N 360.816 3.551 0 40 FHAB O=C1C[C@@H](c2ccccc2O)Cc2nc(N3CCc4ccccc43)ncc21 9264504 MVDAXVAYWNRIEQ-HNNXBMFYSA-N 357.413 3.789 0 40 FHAB COc1ccc2nc(C(=O)N3CCN(c4cccc(C)c4)CC3)ccc2c1 26079439 RILYJULVRJGZFC-UHFFFAOYSA-N 361.445 3.514 0 40 FHAB Cc1ccc(OCCCC(=O)NCc2nc(-c3ccccc3)no2)cc1 43995842 HKKFVNPCQWBBGW-UHFFFAOYSA-N 351.406 3.520 0 40 FHAB CC[C@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1C 12526023 XHBFLUGXZPZXLL-HNNXBMFYSA-N 360.479 3.633 0 40 FHAB CCOc1ccccc1C(=O)Nc1nc(-c2cccc(OC)c2)ns1 61997350 BHVLZMOOPUVPQO-UHFFFAOYSA-N 355.419 3.865 0 40 FHAB COc1cc(C(=O)Nc2cccc(-c3nnco3)c2)cc(Cl)c1OC 23146842 NGWJNVZWQUCIRS-UHFFFAOYSA-N 359.769 3.660 0 40 FHAB COc1ccc(C(=O)Nc2cnn(Cc3ccccc3C)c2)c(OC)c1 27920311 ZHHLKHMRNARIOR-UHFFFAOYSA-N 351.406 3.509 0 40 FHAB C[C@@H](OC(=O)CCN1C(=O)COc2ccccc21)c1ccc(Cl)cc1 57809529 USEIKDHBBNTEAU-CYBMUJFWSA-N 359.809 3.760 0 40 FHAB COc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)cc1 27800319 SXOBUKZRROGYDQ-UHFFFAOYSA-N 362.389 3.798 0 40 FHAB COc1cc(N[C@H](C)C(=O)Nc2cccc(C)c2)ccc1N1CCCC1=O 10184885 QYUPDEAALDSROW-OAHLLOKOSA-N 367.449 3.570 0 40 FHAB CCN1CCC(CNC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)CC1 48265024 QAKNPFGJYMUMOJ-UHFFFAOYSA-N 365.543 3.503 0 40 FHAB Cc1[nH]c(SCC(=O)Nc2ccccc2O)nc1Cc1ccccc1 12773573 RSANYNYDDYVZFU-UHFFFAOYSA-N 353.447 3.745 0 40 FHAB Cc1cc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c(C)n1C1CC1 58367990 WKDSHIBESGIIJY-UHFFFAOYSA-N 361.486 3.569 0 40 FHAB CC(C)c1ncc(Cl)c(C(=O)NCc2ccccc2CN2CCCC2)n1 58391614 NVXGYMBEXWPOPK-UHFFFAOYSA-N 372.900 3.779 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccnn1Cc1cccs1 28403632 RBGNQMPJJBLFRU-MRXNPFEDSA-N 359.426 3.928 0 40 FHAB COc1ccc(Cc2nn3c(C4CCCCC4)nnc3s2)cc1OC 11279171 YXHOTSSFMJOTCD-UHFFFAOYSA-N 358.467 3.842 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)c2ccccc2Br)cc1 10542564 SQUDKOGUQOANOK-LBPRGKRZSA-N 364.239 3.655 0 40 FHAB CC1CCN(CCCNC(=O)c2ccc(CN3CCCCC3)cc2)CC1 10540955 KLENZXADOANXJC-UHFFFAOYSA-N 357.542 3.524 0 40 FHAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(-n2cncn2)cc1 12869996 MNKMLMDKUCQEDE-UHFFFAOYSA-N 363.204 3.592 0 40 FHAB Cc1cc(C)cc(-n2nnnc2SCC(=O)c2ccc3c(c2)CCC3)c1 12811158 XUUNZLLQTFFVCR-UHFFFAOYSA-N 364.474 3.743 0 40 FHAB C[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc(-n2cncn2)cc1 12926105 AUVVYERVTUVZHY-HNNXBMFYSA-N 359.433 3.559 0 40 FHAB O=C(c1ccccn1)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 12989564 FGUXLKJIXIJQHS-UHFFFAOYSA-N 363.486 3.768 0 40 FHAB CCOC(=O)C[C@H](NC(=O)c1cccc(Cl)c1)c1ccc(OC)cc1 3622593 DVBMODQJCJLJFF-KRWDZBQOSA-N 361.825 3.773 0 40 FHAB O=c1/c(=C/c2ccc(Cl)cc2Cl)sc2nnc(-c3ccccc3)n12 3669185 CYJODDMCSWVQJG-ZSOIEALJSA-N 374.252 3.673 0 40 FHAB COc1ccc(Cl)cc1NC(=O)CN(C)CCOc1cccc(C)c1 13040321 VBOPNXNGCMINFX-UHFFFAOYSA-N 362.857 3.606 0 40 FHAB CCOc1ccccc1[C@@H]1C[C@@H](c2ccc(F)cc2)Nc2nc(N)nn21 13131611 XSWVLLHCMKCQLZ-HOTGVXAUSA-N 353.401 3.544 0 40 FHAB Cc1nc2ccc(NC(=S)N3CCN(c4ccccn4)CC3)cc2s1 408978113 KQAGKVOSNGAGCR-UHFFFAOYSA-N 369.519 3.519 0 40 FHAB COc1ccccc1N1C[C@](O)(c2ccc(C)cc2C)[N+]2=C1CCCC2 13785512 KZEQYRNCSHAAKS-QFIPXVFZSA-N 351.470 3.572 0 40 FHAB Cc1sc2ncn(CC(=O)c3ccc(OC(F)F)cc3)c(=O)c2c1C 6110793 GDWKWSUNWIDUHU-UHFFFAOYSA-N 364.373 3.559 0 40 FHAB CCCCCC(=O)Nc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 9252932 QCKTWIFHHKQMBB-UHFFFAOYSA-N 352.481 3.732 0 40 FHAB O=c1[nH]c(CSc2nnc3sc4ccccc4n23)nc2ccsc12 6315983 VSPPUOFHUHEUDG-UHFFFAOYSA-N 371.472 3.534 0 40 FHAB Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1C(=O)C1CCCCC1 96002542 YJVJGDRTXVYICX-HNNXBMFYSA-N 373.419 3.542 0 40 FHAB CN(C(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)c1ccc(F)cc1 65513972 ZZLUXAIRFMGPSB-INIZCTEOSA-N 362.404 3.995 0 40 FHAB C[C@H](NC(=O)c1cn(Cc2ccccc2)nn1)c1ccc2c(c1)CCCC2 14198930 CYBIDZNPLBOMJN-INIZCTEOSA-N 360.461 3.696 0 40 FHAB COc1ccccc1-c1noc(CCC(=O)Nc2ccc(C)c(C)c2)n1 5575473 MFSWYRCTTUSXIK-UHFFFAOYSA-N 351.406 3.933 0 40 FHAB Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCC3=O)cc2)c(C)c1 20454747 OBHNFPSCRXYLCE-KRWDZBQOSA-N 350.462 3.917 0 40 FHAB CCOc1ccc(NC2=NN=C(c3ccc(NC(C)=O)cc3)CS2)cc1 5692855 FAHMLASYDTZSRG-UHFFFAOYSA-N 368.462 3.963 0 40 FHAB CCOc1ccc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)cc1 4813898 QXMQNMSATDNIPV-UHFFFAOYSA-N 365.418 3.504 0 40 FHAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)CC2=O)cc1 4943358 TXYPORBMDYNYFC-KRWDZBQOSA-N 364.445 3.566 0 40 FHAB Cc1ccc(NC(=O)COC(=O)COc2ccc(Cl)c(C)c2)cc1F 5993989 IONZPPSDSHDDDC-UHFFFAOYSA-N 365.788 3.657 0 40 FHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)Nc1cccc(Cl)c1C 7042743 UHQQDSHTUNLMTA-OAHLLOKOSA-N 373.884 3.821 0 40 FHAB CC(C)c1ccc(C(=O)Cn2cnc3sc4c(c3c2=O)CCC4)cc1 7385455 OBALVVCAVAXICD-UHFFFAOYSA-N 352.459 3.953 0 40 FHAB Cc1nc(C)c(C(=O)OCC(=O)N[C@@H](C)c2cc3ccccc3o2)s1 7401764 ATQFWHOMHZMFBG-JTQLQIEISA-N 358.419 3.540 0 40 FHAB O=C(CSc1nnc(C2CC2)n1C1CC1)N1CCC[C@H]2CCCC[C@@H]21 7551009 LRFZVOGKWDDAEN-CJNGLKHVSA-N 360.527 3.764 0 40 FHAB CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2SC(F)F)cc1 9455173 WOANLPSMVNGFAD-UHFFFAOYSA-N 357.403 3.657 0 40 FHAB Cc1cccc2c(=O)n(CC(=O)N[C@@H](C)c3ccc4ccccc4c3)cnc12 16224494 SHBSYWFAERZFDZ-INIZCTEOSA-N 371.440 3.736 0 40 FHAB O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1ccnn1C1CCCC1 7905034 NASMVDMCHNKFPI-UHFFFAOYSA-N 372.498 3.533 0 40 FHAB CN1CCN(Cc2cccc(C(=O)c3ccc(Cl)c(Cl)c3)c2)CC1 22028072 NNNRVVDTEWQOIQ-UHFFFAOYSA-N 363.288 3.972 0 40 FHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1c[nH]c2ccccc12 8349298 KBKRGCSANYNVEG-OAHLLOKOSA-N 359.433 3.511 0 40 FHAB COc1ccc2c(c1)N(C(=O)c1ncccc1C(F)(F)F)C[C@H](C)O2 92416910 SPBHCVDFTSBTNL-JTQLQIEISA-N 352.312 3.537 0 40 FHAB O=C(O)c1ccccc1C(=O)/C=C/c1cccc(NC(=O)C(F)(F)F)c1 95410981 JTJPZXIALPVBBH-CMDGGOBGSA-N 363.291 3.782 0 40 FHAB CC(C)c1noc(CCC(=O)N(C[C@H](O)c2ccccc2)CC(C)(C)C)n1 95451258 AMEGQJOXGDHXCU-KRWDZBQOSA-N 373.497 3.734 0 40 FHAB C[C@H](OC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)[C@H]1CCOC1 89239880 LGGODUKHCWIDKT-QWRGUYRKSA-N 355.221 3.761 0 40 FHAB COc1ccccc1/C=C/C(=O)NCc1ccnc(N2CCCCCC2)c1 89471583 VFOLQLFEAVOGTB-ZHACJKMWSA-N 365.477 3.800 0 40 FHAB O=C(CCn1cc(Br)cn1)Nc1ccccc1C(F)(F)F 28237271 NGENBBCJEDLVAE-UHFFFAOYSA-N 362.149 3.693 0 40 FHAB CCC(=O)c1ccccc1OS(=O)(=O)c1ccccc1Br 23863349 ZMQACCRWIUFMDX-UHFFFAOYSA-N 369.236 3.810 0 40 FHAB CC(C)CCn1ccc2nc3ncnn3c(-c3ccc(Cl)cc3)c2c1=O 38828825 QRBRYFGGEKHTDF-UHFFFAOYSA-N 367.840 3.806 0 40 FHAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3)o2)cc1C 216030397 WWDWWCLEERRZRB-UHFFFAOYSA-N 369.446 3.996 0 40 FHAB Cn1ccnc1CN1CCC[C@@H]1c1cncc(Oc2ccc(Cl)cc2)n1 72384202 QCBADIFVYNDCKM-QGZVFWFLSA-N 369.856 3.993 0 40 FHAB O=C(Cc1csc(-c2ccccc2)n1)N1CC[C@@]2(O)CCCC[C@H]2C1 72403126 KYNSHKBJKIYDAD-JXFKEZNVSA-N 356.491 3.506 0 40 FHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(-n2ccnc2)cc1 30871110 NMCXRJPOEFXFHN-HXUWFJFHSA-N 363.461 3.963 0 40 FHAB COCCCNc1nc2sc(C)c(C)c2c2nc(-c3ccco3)nn12 32072204 VTGIKZKBGULXHD-UHFFFAOYSA-N 357.439 3.664 0 40 FHAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@@H]2c1ccc(Br)s1 71281546 XQIYJKCKPACAMT-SSDOTTSWSA-N 356.245 3.705 0 40 FHAB O=C(N1Cc2cccnc2C1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 563883449 GXWLWCGUBIUFFQ-UHFFFAOYSA-N 362.351 3.845 0 40 FHAB Oc1ccc(CN2CCC[C@H]2c2ccnc(Nc3nccs3)n2)cc1 72377892 RPGWCKUAICXYKC-INIZCTEOSA-N 353.451 3.719 0 40 FHAB Cc1cccc(C)c1NC(=O)c1ccc(Cl)c(N(C)S(C)(=O)=O)c1 225973081 NATUCOOCXJNRKC-UHFFFAOYSA-N 366.870 3.605 0 40 FHAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3CCOC)N21 222685651 KQIOUSLLFDFHEI-FHLIZLRMSA-N 356.495 3.509 0 40 FHAB Cc1cccc(-c2noc(CCC(=O)N[C@@H](C)c3ccc(F)cc3)n2)c1 225814987 CKHBPKOCQQRYHT-AWEZNQCLSA-N 353.397 3.994 0 40 FHAB CC[C@@H](NC(=S)Nc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 225723260 JSDCMJZEMHEGSF-MRXNPFEDSA-N 366.483 3.667 0 40 FHAB Cc1ccc(NC(=S)NCc2cccc(N3CCCC3=O)c2)cc1C 44077873 GBEIQYAWJDDLSK-UHFFFAOYSA-N 353.491 3.917 0 40 FHAB O=S(=O)(Nc1ccc(F)c(C(F)(F)F)c1)c1cc(F)cc(F)c1 95068010 XSMVZGKCZOFKAJ-UHFFFAOYSA-N 355.259 3.924 0 40 FHAB O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)no1 98212218 SQUOWAXDRLFDRQ-KRWDZBQOSA-N 369.371 3.921 0 40 FHAB CC(C)CCC(=O)N1CC[C@@]2(COCc3cnc(-c4ccccc4)nc32)C1 96244391 AMMUSIACZKNXJB-QFIPXVFZSA-N 365.477 3.580 0 40 FHAB Cc1ccccc1CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 244162136 UYOLAXLSHNMGFG-UHFFFAOYSA-N 370.758 3.922 0 40 FHAB Cc1ncsc1CN1Cc2cccn2[C@@H](CCOCc2cccnc2)C1 248013927 GVMIRSHJEQIPOZ-IBGZPJMESA-N 368.506 3.812 0 40 FHAB Cc1nc(CN2[C@H](c3ccccc3)C[C@H]3NC(=O)CCCC[C@@H]32)cs1 257262272 LKTVBIXDARXCRX-QYZOEREBSA-N 355.507 3.826 0 40 FHAB Cc1ncsc1CN1CCO[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257284603 PDKSODOJTHSTQO-QGZVFWFLSA-N 373.453 3.743 0 40 FHAB O=C(NCCCn1ccnc1-c1ccccc1)c1ccc(Br)o1 90583293 YNVXBSXSKMUVQG-UHFFFAOYSA-N 374.238 3.726 0 40 FHAB O=C(Nc1c(O)n[nH]c1-c1ccccc1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 1636373070 WRNGBJJTIXODAK-RYUDHWBXSA-N 373.334 3.942 0 40 FHAB O=C(O)Cc1cccc(NC(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 630144367 MYWOFJLGWXXOQR-AEFFLSMTSA-N 359.809 3.683 0 40 FHAB COc1ccc(-c2cccc(CC3(C(=O)NC4CC4)CCOCC3)c2)cc1 585164863 HELWRNZGJKNIBX-UHFFFAOYSA-N 365.473 3.980 0 40 FHAB CCC(CC)[C@@H](NC(=O)[C@H](C)Sc1nncn1C)c1cccs1 56008514 NNUNUMZCWPQVLL-SMDDNHRTSA-N 352.529 3.651 0 40 FHAB CCOc1ccc(NCN2C(=O)S/C(=C\c3ccccc3O)C2=O)cc1 3092217 FJUJCJHJMCEWHY-BOPFTXTBSA-N 370.430 3.897 0 40 FHAB O=C(Nc1ccc2cn[nH]c2c1)/C(=C\c1ccco1)NC(=O)c1ccccc1 5729005 FQFIHGURPHZJRG-XDHOZWIPSA-N 372.384 3.566 0 40 FHAB O=C(/C=C/c1ccccc1OC(F)F)Nc1ccc(-n2cccn2)nc1 12522603 QPWGKONFVBDWFD-RMKNXTFCSA-N 356.332 3.521 0 40 FHAB COC(=O)C1=C(C)N(CCc2cccs2)C(=O)N[C@@H]1c1ccsc1 12951293 LOMOKYKGRFQSPJ-OAHLLOKOSA-N 362.476 3.566 0 40 FHAB CCc1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)n1CC 13992534 IWWKKEDIIUEZJN-UHFFFAOYSA-N 358.389 3.610 0 40 FHAB O=C(c1sccc1-c1ccccc1)N1CCN(c2nccs2)CC1 14350645 FHXZFLDNGQWNCT-UHFFFAOYSA-N 355.488 3.834 0 40 FHAB COc1ccccc1[C@H](NC(=O)c1ccn(C(F)F)n1)c1ccccc1 19569049 HDFJONIHCMXZKP-QGZVFWFLSA-N 357.360 3.806 0 40 FHAB Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)Nc1cccc(Cn2cncn2)c1 19716877 BBQNYLHZYJECMD-UHFFFAOYSA-N 373.460 3.914 0 40 FHAB CC(C)C(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 643570487 GZNWCENFJBJGLL-UHFFFAOYSA-N 373.493 3.600 0 40 FHAB Cc1cccc(N2CCN(C(=O)CN3CCC[C@@H]3c3cccs3)CC2)c1 10055650 JMUUDBFRJZZYLF-LJQANCHMSA-N 369.534 3.542 0 40 FHAB CCc1cccc(CC)c1NC(=O)CSc1nnc(C(F)(F)F)n1C 3414171 PLNVYJWGWHWRSE-UHFFFAOYSA-N 372.416 3.690 0 40 FHAB CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccccc2F)NC(=O)N1 4171446 ISCCCEMMIHAIAB-INIZCTEOSA-N 359.788 3.746 0 40 FHAB C[C@@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccccc1Cl 6098462 VREXPBCEGGVNSX-GFCCVEGCSA-N 364.902 3.627 0 40 FHAB O=C(COc1ccc(Cl)cc1)Nc1cccc(C(=O)N2CCCC2)c1 14559656 TXDPMHFKROQWRM-UHFFFAOYSA-N 358.825 3.594 0 40 FHAB CCN(CC)Cc1ccc(CNC(=O)c2cc(Cl)c3c(c2)OCO3)cc1 21960164 JKOXRKUZLYYPQH-UHFFFAOYSA-N 374.868 3.841 0 40 FHAB CC(=O)N1CCN(C2CCCCC2)C[C@H](Cc2cccc3ncccc23)C1 2037838728 YSRHNBAIMLMSBT-LJQANCHMSA-N 365.521 3.890 0 40 FHAB CCc1ccc(C(=O)N2CCC[C@](O)(COc3ccccc3)CC2)cc1 2037912869 ADQNOSRMSRGPJR-JOCHJYFZSA-N 353.462 3.685 0 40 FHAB CCOc1ccc(C(=O)N(CN2CCCC2=O)c2ccc(C)cc2)cc1 4137937 BRCNVRKQGYRSMZ-UHFFFAOYSA-N 352.434 3.620 0 40 FHAB COc1cccc2cc(C(=O)NC[C@H](O)c3ccc(-c4ccco4)o3)oc12 1775966281 WGZBYZZSAZSQFA-ZDUSSCGKSA-N 367.357 3.758 0 40 FHAB O=C(Cc1cccs1)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 207014604 PDADDRTWUSFRGO-CYBMUJFWSA-N 373.503 3.883 0 40 FHAB COc1cc(NC(=O)N[C@H]2CCCc3ccccc32)cc(OC)c1OC 40023765 INKBYVZEEKCVQL-INIZCTEOSA-N 356.422 3.912 0 40 FHAB O=C(NCCCN1CCc2ccccc2C1)c1cc(F)c(F)cc1Cl 32398971 NAZJJXDGSSYEEN-UHFFFAOYSA-N 364.823 3.796 0 40 FHAB COc1cccc(NC(=O)Cc2csc(COc3ccccc3)n2)c1 33326273 NIPVUYPQCFSDHT-UHFFFAOYSA-N 354.431 3.912 0 40 FHAB CCCn1c(NC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)nc2ccccc21 22233120 XIWWSTOXRFVVKC-ACJLOTCBSA-N 351.406 3.613 0 40 FHAB CC(C)c1ccc(CN2CCN(Cc3nnc(-c4ccco4)o3)CC2)cc1 22225574 YGCYTRCEXRIMTC-UHFFFAOYSA-N 366.465 3.771 0 40 FHAB NC(=O)c1c(NC(=O)c2cc(Cl)ccc2Cl)sc2c1CCC2 679978 BTORJHPNHGXIKL-UHFFFAOYSA-N 355.246 3.895 0 40 FHAB Cc1onc(-c2ccccc2)c1C(=O)N1CCN(c2ccc(F)cc2)CC1 917585 PKTODHPSJAMKCX-UHFFFAOYSA-N 365.408 3.752 0 40 FHAB CCc1ccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)cc1 955265 DUTPYJCIXZUKAK-UHFFFAOYSA-N 354.837 3.723 0 40 FHAB O=C(CSc1nnc(-c2ccccc2O)o1)Nc1ccc(Cl)cc1 970949 KMWRKXVGXAMMFX-UHFFFAOYSA-N 361.810 3.826 0 40 FHAB CCCOC(=O)Cn1cnc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1780725 PPVBXOSAUGZXMD-UHFFFAOYSA-N 360.410 3.526 0 40 FHAB CC1(C)c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCc3ccccc3)C(=O)N21 2096678 YWERZONPCWRCTM-IBGZPJMESA-N 373.456 3.835 0 40 FHAB biogenic Cc1nc2sc(C(=O)c3ccc4c(c3)OCCO4)c(N)c2c(C)c1C 2311733 YPOQOEZBRLTCTO-UHFFFAOYSA-N 354.431 3.806 0 40 FHAB CCn1ncc(-c2ccnc(SCC(=O)Nc3ccccc3C)n2)c1C 2809192 NAVUJJWJQGWNAG-UHFFFAOYSA-N 367.478 3.708 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)Cc1ccccc1F 3309372 JDMRQXCELWBINZ-UHFFFAOYSA-N 365.788 3.521 0 40 FHAB COc1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3)o2)c(OC)c1 4276109 JQNNBEYNAQRFTO-UHFFFAOYSA-N 359.769 3.660 0 40 FHAB CCN(CC)c1ccc(C(=O)OCC(=O)NCc2ccccc2Cl)cc1 4505654 FPJHGPRGMSOPHJ-UHFFFAOYSA-N 374.868 3.659 0 40 FHAB COCCn1c(-c2ccc(F)cc2)cnc1NCc1ccc(OC)cc1 4679273 RAOBFDFICMHWME-UHFFFAOYSA-N 355.413 3.956 0 40 FHAB COC(=O)c1ccccc1NC(=O)c1sc2nc(C)c(C)c(C)c2c1N 4707634 AYLSBLMTFHCHSS-UHFFFAOYSA-N 369.446 3.843 0 40 FHAB COc1ccc(OCCSc2nnc(-c3ccc(OC)cc3)n2C)cc1 4736055 LXBGLJYZDUTAML-UHFFFAOYSA-N 371.462 3.670 0 40 FHAB Oc1ccccc1C1=Nc2ncnn2[C@@H](c2ccc(Br)cc2)C1 4844391 SUJOUKFJTWLPHD-OAHLLOKOSA-N 369.222 3.860 0 40 FHAB CC(=O)C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21 4988053 UIWHIILRAQCLTC-SFHVURJKSA-N 364.228 3.707 0 40 FHAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1C 5133732 ODGZONGJFOUNNO-UHFFFAOYSA-N 373.352 3.821 0 40 FHAB CCOc1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 5188271 SJOZUONHORKTMH-KRWDZBQOSA-N 367.449 3.629 0 40 FHAB C[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc(-n2cncn2)cc1 5245770 LBABFTMTRBBVFF-GFCCVEGCSA-N 371.238 3.521 0 40 FHAB O=C(Nc1ccccc1)OCCN1C(=O)C[C@H]2Sc3ccccc3N=C21 5774476 ZYUBWDLTMSRQFE-MRXNPFEDSA-N 367.430 3.672 0 40 FHAB C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2 5870442 KWVMXXWSWLYZEK-JTQLQIEISA-N 368.216 3.978 0 40 FHAB CC(C)c1ccc(C(=O)CSc2nnc(-c3ccncc3)n2C)cc1 6139531 DGBSKUGSMZECFJ-UHFFFAOYSA-N 352.463 3.976 0 40 FHAB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)O)c1ccccc1 6251988 UYYGYYNIXMVURR-UHFFFAOYSA-N 369.229 3.818 0 40 FHAB CCOC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCN(CC)C2 6349159 YBNBSPPPVBPYDZ-UHFFFAOYSA-N 364.511 3.822 0 40 FHAB Cc1ccc(C(=O)NCCOc2ccccc2)cc1NC(=O)c1ccco1 6542865 VDFGRPKAIMKJGU-UHFFFAOYSA-N 364.401 3.649 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc2ccccc2[nH]1 6551754 BRIRCBRZZPMVEC-MRXNPFEDSA-N 370.840 3.609 0 40 FHAB COc1ccccc1Nc1ncccc1C(=O)Nc1nc2ccccc2[nH]1 6581804 XQMTYLDISKTFOV-UHFFFAOYSA-N 359.389 3.962 0 40 FHAB Cc1cc(C)c(NC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)c(C)c1 6787209 CUZMYSIVXGIJKG-UHFFFAOYSA-N 374.506 3.536 0 40 FHAB Cc1cccn2c(=O)c3cc(C(=O)N[C@H]4CCCC[C@@H]4C)sc3nc12 6861295 WVOJMJPXIGLIFK-FZMZJTMJSA-N 355.463 3.526 0 40 FHAB CCN(CC)c1ccc2cc(-c3nc(-c4cccnc4)no3)c(=O)oc2c1 6867987 DYWZAOQMDOHRNN-UHFFFAOYSA-N 362.389 3.751 0 40 FHAB O=C(c1ccc(NC(=S)NCc2ccc(F)cc2)cc1)N1CCCCC1 6970536 UFMLGWXBYOFQCN-UHFFFAOYSA-N 371.481 3.938 0 40 FHAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C)cc1 7053426 YUFNUHBNDQYSQB-UHFFFAOYSA-N 356.241 3.567 0 40 FHAB Cc1cc(C)c(NC(=S)NC(=O)c2ccc3nsnc3c2)c(C)c1 7388886 UHLVDWRLWXZHQO-UHFFFAOYSA-N 356.476 3.743 0 40 FHAB COc1cc(NC(=O)C(F)(F)F)ccc1-c1cc2ccccc2oc1=O 8071267 AFLMKYKZLVPYHE-UHFFFAOYSA-N 363.291 3.969 0 40 FHAB Cc1ccccc1OCc1nn(CC(=O)Nc2ccccc2F)c(=S)o1 8571617 WWZGIQZMOIIBMM-UHFFFAOYSA-N 373.409 3.871 0 40 FHAB CCCCc1nnc(SCCCOc2ccc(C=O)cc2OC)n1C 8731700 HZIQOYJLEIQWEE-UHFFFAOYSA-N 363.483 3.540 0 40 FHAB O=C(CNC(=O)C1CCCCC1)N[C@H](c1ccc(F)cc1)c1cccs1 9054412 JEXRGUBIDHRCMT-LJQANCHMSA-N 374.481 3.789 0 40 FHAB O=C(NC(=S)NCc1ccco1)c1ccc(-c2cccc(Cl)c2)o1 9140906 GKNNKXNTWRMBIF-UHFFFAOYSA-N 360.822 3.998 0 40 FHAB Cn1ccnc1[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccccc1F 9363868 KKTNQPCCNYCLDS-GOSISDBHSA-N 357.816 3.661 0 40 FHAB CC(=O)N[C@H](CC(=O)N[C@H](C)c1ccccc1Cl)c1cccs1 10081291 UTAKKQFFHIQUNH-IAQYHMDHSA-N 350.871 3.846 0 40 FHAB COCCNC(=O)c1ccccc1NC(=O)CCc1ccc(C(C)C)cc1 10337463 QYJVUKYWWASGLZ-UHFFFAOYSA-N 368.477 3.758 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)CN(Cc1ccccc1)C(C)C 10931323 DIMJCKFMWXAUOV-UHFFFAOYSA-N 369.465 3.503 0 40 FHAB Cc1ccccc1NC(=O)C[C@H]1CCCCN1S(=O)(=O)c1ccccc1 11612702 DDPZHAAKZKAPNB-QGZVFWFLSA-N 372.490 3.567 0 40 FHAB Cc1cc(NC(=O)COc2cccc(C)c2C)ccc1N1CCCC1=O 11743756 HAQXHPHZADJSIX-UHFFFAOYSA-N 352.434 3.756 0 40 FHAB O=C(Cc1cccs1)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 12117175 SKJOUXOKEAGBOK-INIZCTEOSA-N 364.474 3.549 0 40 FHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)[C@H]3C[C@@H]3C)cc2N1 12181363 BISQCRGCBIDFLI-SZWZKDINSA-N 370.419 3.900 0 40 FHAB COc1ccc(-n2ccnc(SCc3cccc(OC)c3)c2=O)cc1 12415911 WQHSKVDMBAIBQU-UHFFFAOYSA-N 354.431 3.542 0 40 FHAB COc1ccc(/C=C(\C(=O)N(C)Cc2ccccc2)n2ccccc2=O)cc1 12465690 ZSPYTALTQKPZII-LTGZKZEYSA-N 374.440 3.514 0 40 FHAB CCc1ccc(-c2noc(CNc3ccc(C(=O)N(C)C)cc3)n2)cc1 12543404 NDFSWXNIFUEICD-UHFFFAOYSA-N 350.422 3.613 0 40 FHAB NC(=O)c1ccsc1NC(=O)CCSc1ccc2ccccc2n1 12562708 PFKRMHAHZYAEJC-UHFFFAOYSA-N 357.460 3.516 0 40 FHAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 12604150 JOMOZXFYVIBAQW-UHFFFAOYSA-N 373.334 3.922 0 40 FHAB CCc1sc(-c2nnc(CN3CCN(c4ccccc4)CC3)o2)cc1C 12606659 FJRRFGSEFUKRKY-UHFFFAOYSA-N 368.506 3.991 0 40 FHAB CC(=O)Nc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 12754632 UUKCPQOHCIAAFT-MISVVRGBSA-N 374.444 3.721 0 40 FHAB CCc1cc2c(CN(C)CCOc3ccccc3F)cc(=O)oc2cc1O 12810524 OMAHNZDGGSYFHI-UHFFFAOYSA-N 371.408 3.711 0 40 FHAB COC(=O)C[C@H](NC(=O)/C=C/c1nc2ccccc2s1)c1ccccc1 12921476 ROFNFUCYBQTBIU-PCUGXKRQSA-N 366.442 3.730 0 40 FHAB O=C(CSC1=NCCS1)Nc1nc(-c2cc(F)ccc2F)cs1 13001517 GPELGTJPDHIMAC-UHFFFAOYSA-N 371.459 3.863 0 40 FHAB Cc1[nH]c2ccc(C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)cc2c1C 13007718 VAWQHIUJWIOBSU-FQEVSTJZSA-N 353.441 3.957 0 40 FHAB CCN1CCN(C(=S)c2cccc(OCc3ccc(C)cc3)c2)CC1 13547118 LCSQPIIOKJCWKL-UHFFFAOYSA-N 354.519 3.887 0 40 FHAB O=C(CCn1ccc2cc(Br)ccc21)Nc1nccs1 13720610 VHIOXAFTNZUCSL-UHFFFAOYSA-N 350.241 3.889 0 40 FHAB CCCCCNCc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 13729706 MEEQOWSPLDUUCD-UHFFFAOYSA-N 367.453 3.743 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(OC)cc1 14401937 VIYNOSFLTLJGAJ-LJQANCHMSA-N 370.449 3.631 0 40 FHAB COc1ccccc1N1C[C@@H](C(=O)Nc2c(C)cc(C)cc2C)CC1=O 14426282 VNMCOFXRZMSLMQ-INIZCTEOSA-N 352.434 3.612 0 40 FHAB O=C(NC1CCCCCC1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 15303175 WJZAPKCRJYPZNP-UHFFFAOYSA-N 366.417 3.528 0 40 FHAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCN(Cc3ccccc3)CC2)o1 16202660 ZEOKUKKJXKXNLI-TWWASOPWSA-N 350.462 3.761 0 40 FHAB Cc1cc(C)n(C(=O)Nc2ccc(C)c(NC(=O)n3nc(C)cc3C)c2)n1 16347648 GEMDBPJNNTYNGD-UHFFFAOYSA-N 366.425 3.782 0 40 FHAB O=C(CN[C@@H]1CCCc2ccccc21)NCCc1nc2ccccc2s1 16695501 SWGMIGAAMRAOMQ-QGZVFWFLSA-N 365.502 3.622 0 40 FHAB O=C(O)CSc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 18195140 BGCAWXWDSRHERZ-UHFFFAOYSA-N 351.811 3.534 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)Oc2cccc(F)c2)c(OC)c1 19078710 CVWCEIXFVUOADF-AUUYWEPGSA-N 373.424 3.974 0 40 FHAB O=C(Cc1ccc(F)cc1)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1 19333296 VITIPUAGHVUYAD-LJQANCHMSA-N 364.424 3.907 0 40 FHAB O=C(NCc1nnc(-c2cccs2)o1)C1(c2ccccc2)CCCC1 19369736 QEVFCVWLLSHESD-UHFFFAOYSA-N 353.447 3.926 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)C[C@@H](C)n2nc(C)cc2C)c(OC)c1 19572840 RDODCXKTBBCFIE-VQIMIIECSA-N 371.481 3.832 0 40 FHAB CCC(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccc(Cl)cc1 19689567 NGZNZSOLOBGDRH-MRXNPFEDSA-N 358.873 3.937 0 40 FHAB COc1ccc(S[C@@H]2CCO[C@@H](CCNC(=O)c3ccccn3)C2)cc1 19703389 IZVPHIFFJCJKEW-FUHWJXTLSA-N 372.490 3.550 0 40 FHAB CCC(CC)C(=O)Nc1nc(-c2ccc3c(c2)N(C)C(=O)CO3)c(C)s1 19796435 CHGZGFXVQUMIEZ-UHFFFAOYSA-N 373.478 3.848 0 40 FHAB CCCCNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 22516329 XAPKWSNRKLXTJL-UHFFFAOYSA-N 366.870 3.671 0 40 FHAB COC(=O)c1cccc(S(=O)(=O)Oc2ccc(Cl)c(Cl)c2)c1 24258861 JIBQWXJUWKZUOR-UHFFFAOYSA-N 361.202 3.548 0 40 FHAB CCCCn1nc(C(=O)N(C)Cc2ccc(F)cc2)c2ccccc2c1=O 24832964 HRBZXCCDPLDJCB-UHFFFAOYSA-N 367.424 3.608 0 40 FHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)COc1cc(C)ccc1C 28189391 XVQYZBNEGYQXLY-UHFFFAOYSA-N 371.462 3.842 0 40 FHAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCc2ccccc2C1 28651491 RORANRLVUKCJJC-IBGZPJMESA-N 370.880 3.679 0 40 FHAB CC[C@@H](C)C(=O)N1CCN(Cc2csc(-c3ccc(OC)cc3)n2)CC1 29803820 NXMKEJXPSZGZHJ-OAHLLOKOSA-N 373.522 3.509 0 40 FHAB CCn1c(SCc2nnsc2Cl)nc2sc(C)c(C)c2c1=O 29811702 ZPHFIMDNZMWZLL-UHFFFAOYSA-N 372.928 3.892 0 40 FHAB O=C(c1cccnc1)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 31938120 BDYPNQDSUJBTNQ-UHFFFAOYSA-N 363.486 3.768 0 40 FHAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1F 32585567 WAMKYCGWZBTTGE-UHFFFAOYSA-N 350.198 3.942 0 40 FHAB COc1cccc(C(=O)Nc2c(C)nn(Cc3ccccc3F)c2C)c1 32609728 XCTLUOCZCWOUTF-UHFFFAOYSA-N 353.397 3.948 0 40 FHAB O=C(O)c1c(F)cccc1NS(=O)(=O)c1cc(Cl)sc1Cl 35306780 LTSMZSFFBTZWSF-UHFFFAOYSA-N 370.210 3.693 0 40 FHAB Cn1nc(C(C)(C)C)cc1-c1nn2c(-c3cc(F)ccc3F)nnc2s1 36360531 ZKYZMVGQMVARTI-UHFFFAOYSA-N 374.420 3.829 0 40 FHAB Cc1cnc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(F)cc2)cn1 36761320 AWJCHKVLQGEYHK-UHFFFAOYSA-N 353.401 3.660 0 40 FHAB Cc1cc([C@@H]2CCCN2C(=O)c2sc(-c3ccccn3)nc2C)on1 40115322 MLXDINLNWSXMQF-AWEZNQCLSA-N 354.435 3.787 0 40 FHAB Cc1cc(C)c(NC(=O)COC(=O)c2scnc2Cl)c(Cl)c1 40150410 XBFYJDPHSOIOSC-UHFFFAOYSA-N 359.234 3.862 0 40 FHAB Cc1cn2c(CNCCc3cnn(-c4ccccc4)c3)c(C)nc2s1 40155843 JCDSUROVCVBNAV-UHFFFAOYSA-N 351.479 3.531 0 40 FHAB C[C@H]1Oc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2N(C)C1=O 41014810 UNTZSDLOGGVQMW-CSNVJCEJSA-N 354.450 3.585 0 40 FHAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(OC)cc1 42645593 ZBTOWXMFLXUMSX-HNNXBMFYSA-N 370.449 3.583 0 40 FHAB Cc1nc(Cc2nnc(S[C@@H](C)c3nc(C(C)C)no3)o2)cs1 46569326 DCTRDBLVZMUCCM-QMMMGPOBSA-N 351.457 3.785 0 40 FHAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CN(C)[C@H](C)C2CC2)c1 48287736 XBVRVWDZSKMZDI-MRXNPFEDSA-N 365.477 3.916 0 40 FHAB CCOc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)cc1 48652741 NWARXLUWLHRDKJ-UHFFFAOYSA-N 367.232 3.647 0 40 FHAB Cc1cccc(OCC(=O)Nc2ccc(NC(=O)c3cnoc3C)cc2)c1 54270257 GUIXCUMQALSALL-UHFFFAOYSA-N 365.389 3.561 0 40 FHAB COc1ccc(CC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1F 57886540 CDLNYJUKNPNXHE-LJQANCHMSA-N 355.413 3.767 0 40 FHAB Cn1cc([C@@H]2C[C@H]2C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)cn1 66051257 AHLIJXHBIFCHRV-ZWKOTPCHSA-N 357.885 3.805 0 40 FHAB COCCn1ncc2ccc(NC(=O)N3CCC[C@H]3C3CCCC3)cc21 69825365 TUQVFSYLAMBOTF-SFHVURJKSA-N 356.470 3.869 0 40 FHAB CN(C)CC(=O)N1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 72350128 AUOIKTKQBVCZQQ-KRWDZBQOSA-N 371.912 3.593 0 40 FHAB CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 75110776 MZPLXRAUZGSASN-QAPCUYQASA-N 362.470 3.584 0 40 FHAB CN(C)c1cccc([C@H]2CCCN2S(=O)(=O)Cc2ccccc2F)c1 78775452 WRPDYOVUGBWJEC-LJQANCHMSA-N 362.470 3.559 0 40 FHAB Cc1[nH]c2ccc(C(=O)Nc3cccc(Cn4cccnc4=O)c3)cc2c1C 83996600 BVSCLJJPJAGGTE-UHFFFAOYSA-N 372.428 3.642 0 40 FHAB O=C(/C=C/c1c(Cl)nc2ccccn12)N[C@@H]1C[C@@H]1c1ccc(F)cc1 84606522 VBYJMOTUCREWLJ-VMFRVMOISA-N 355.800 3.812 0 40 FHAB Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)CNC(=O)c2ccoc2C)cc1 85686832 YYJZWXLOUWLGCX-MGPUTAFESA-N 354.450 3.626 0 40 FHAB COCc1nn2c(-c3cc(OC)ccc3O)ccnc2c1-c1ccccc1 95475190 VLHLVNNALBUOJB-UHFFFAOYSA-N 361.401 3.924 0 40 FHAB Cc1nc(CO[C@@H]2CN(Cc3ccc(F)cc3)[C@@H]3CCCO[C@H]23)cs1 96058123 OQHCTDOWSMLQIW-QRVBRYPASA-N 362.470 3.539 0 40 FHAB O=C(c1cc2c(OCc3ccccc3)cccc2[nH]1)N1CCSCC1 96096691 UPYDQFYXALYESW-UHFFFAOYSA-N 352.459 3.936 0 40 FHAB Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 101114455 ZEBQCUAUAMAPFH-OAHLLOKOSA-N 359.223 3.502 0 40 FHAB Cc1ccccc1[C@H]1C2=C(O)CC(C)(C)CC2=Nc2nc(N)[nH]c(=O)c21 102667417 KRHGFNQAZVMTCR-AWEZNQCLSA-N 350.422 3.511 0 40 FHAB COc1ccc(S(=O)(=O)NCc2cncc(-c3ccsc3)c2)cc1C 206950164 XFWJUSSADOFTNS-UHFFFAOYSA-N 374.487 3.606 0 40 FHAB CC[C@H](NC(=O)Cc1cc(C)ccc1C)c1ccc(S(C)(=O)=O)cc1 219277378 OYLSIUJZIILDJZ-IBGZPJMESA-N 359.491 3.517 0 40 FHAB Cc1cc(C)cc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)c1 219553365 LFNFFNPEDNJQLK-INIZCTEOSA-N 365.433 3.779 0 40 FHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1OC 223429365 LEHWAKCAJRQNID-HNNXBMFYSA-N 363.479 3.669 0 40 FHAB CCOC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1Cl 223674902 NJIKSFHSZQWOML-UHFFFAOYSA-N 367.854 3.934 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(CN2CCCC2)c1 224624335 KYCBAWYIJNVANN-NRFANRHFSA-N 370.468 3.895 0 40 FHAB CC[C@H](NS(=O)(=O)c1cc(C)c(OC)cc1C)c1ccc(OC)cc1 225401792 BXYFGGBZGDFYAL-KRWDZBQOSA-N 363.479 3.750 0 40 FHAB COc1cccc2cc(C(=O)NCc3ccc(-c4cccnc4)nc3)oc12 225764434 VRVUDFIJUXEVFG-UHFFFAOYSA-N 359.385 3.828 0 40 FHAB CC(=O)c1cccc(NC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)c1 238899724 RJJRHPKBAFKQHE-UHFFFAOYSA-N 374.824 3.748 0 40 FHAB O=C(Nc1nccs1)c1cccc([C@@H]2CCCN2Cc2cscn2)n1 257239043 HNRIHVSKKJXVCF-HNNXBMFYSA-N 371.491 3.584 0 40 FHAB CN(C)c1cccc(CC[C@H]2CCCCN2C(=O)c2cccc(F)c2)n1 257258739 KVHNIALNDDKLTJ-LJQANCHMSA-N 355.457 3.914 0 40 FHAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1ccc(Br)cc1 408713974 FECKRSXIBSJQBD-UHFFFAOYSA-N 372.222 3.771 0 40 FHAB CC[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 409351445 SZDWNKOGCIHMTB-INIZCTEOSA-N 374.506 3.643 0 40 FHAB COc1ccc(CCC(=O)N2CCC[C@@H](Oc3ccncc3Cl)C2)cc1 575612790 NHUYIOBRCPMMBR-QGZVFWFLSA-N 374.868 3.746 0 40 FHAB Cc1c(Cl)cccc1S(=O)(=O)N1CCC(Oc2ccsc2)CC1 575620955 WYRXDTALSNESDB-UHFFFAOYSA-N 371.911 3.942 0 40 FHAB CN(C)c1ncccc1CNC(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1 623421991 FQQVXLWHGGHHHO-INIZCTEOSA-N 374.435 3.515 0 40 FHAB O=C(c1snc(O)c1Cl)N1CCc2cc(C(F)(F)F)ccc2C1 629028483 YAMOVBRRXHISBD-UHFFFAOYSA-N 362.760 3.719 0 40 FHAB Cc1noc(CN(C)C(=O)c2csc(-c3ccc(C(C)C)cc3)n2)n1 655354728 IYYOKUJOFMDPCQ-UHFFFAOYSA-N 356.451 3.897 0 40 FHAB O=C(O)c1cccc(Cl)c1CN1CC[C@H](c2ccccc2)[C@H](CO)C1 659797835 UQRYSEFOAKEZEW-JKSUJKDBSA-N 359.853 3.636 0 40 FHAB CC(C)(CC(F)(F)F)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 667966039 ZDFCUEGHFGSOIC-UHFFFAOYSA-N 360.357 3.985 0 40 FHAB CCCSCc1nnc2sc(-c3cc(-c4ccccc4)[nH]n3)nn12 1776111076 UORFYCZWIHELIM-UHFFFAOYSA-N 356.480 3.886 0 40 FHAB CCCCN1C(=O)N(c2ccc(C(C)=O)cc2)S(=O)(=O)c2ccccc21 1889029848 QTJFXDPTKDTGBV-UHFFFAOYSA-N 372.446 3.825 0 40 FHAB CCOC(=O)COc1cc2occ(-c3csc(C)n3)c(=O)c2cc1CC 630504 FUXKJKKFVRCUPS-UHFFFAOYSA-N 373.430 3.729 0 40 FHAB Cc1nn2c(c1-c1ccccc1)NC(C(F)(F)F)(C(F)(F)F)NC2=O 1050133 GJTUDXGGCJHZCF-UHFFFAOYSA-N 364.249 3.663 0 40 FHAB CCC(=O)N(Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O 1366782 NUESRDQBCWGCPL-UHFFFAOYSA-N 356.447 3.537 0 40 FHAB Cn1nc(-c2ccc(C(=O)NCc3ccccc3)cc2)c2ccccc2c1=O 1420953 FIKHGNXKACJFLO-UHFFFAOYSA-N 369.424 3.531 0 40 FHAB COC(=O)Cc1c(C)c2ccc(OCc3cccc(C)c3)cc2oc1=O 2096175 SWHOANPDRPSELQ-UHFFFAOYSA-N 352.386 3.704 0 40 FHAB biogenic Cc1ccc(C[C@H](CCN2C(=O)CCC2=O)[C@H]2CCOC(C)(C)C2)cc1 2295939 YZZPUNIKSFOYEO-OALUTQOASA-N 357.494 3.898 0 40 FHAB CCN(CC)c1ccc(NC(=O)COc2ncnc3sccc23)cc1 2619010 IGLDFVYTISMTGB-UHFFFAOYSA-N 356.451 3.555 0 40 FHAB C[C@@H](Sc1nnc2ccccn12)C(=O)c1ccc(Br)cc1 2620379 PARSKVYBKGZRTH-SNVBAGLBSA-N 362.252 3.855 0 40 FHAB O=C(COC(=O)Cc1cccc2ccccc12)Nc1ccc(F)c(F)c1F 2627139 WFKRNMZWKDANPG-UHFFFAOYSA-N 373.330 3.982 0 40 FHAB FC(F)(F)c1cccc(N2CCN(c3cnc4ccccc4n3)CC2)c1 3116830 VLUDGUNUIMXIDX-UHFFFAOYSA-N 358.367 3.975 0 40 FHAB COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(C(C)C)cc2)c1 3255308 BYUOKJJAUOLTPE-UHFFFAOYSA-N 357.406 3.623 0 40 FHAB COc1ccc2c(CC(=O)OCC(=O)Nc3cccc(C)c3C)coc2c1 3419530 AMMFLWVGGOYJMG-UHFFFAOYSA-N 367.401 3.783 0 40 FHAB C[C@@H](OC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)C(N)=O 3431961 HQXUNWFDNGTUMK-LLVKDONJSA-N 354.793 3.586 0 40 FHAB CCc1cc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)ccc1Cl 3444639 WSRXMJQBGFBOCA-UHFFFAOYSA-N 374.868 3.757 0 40 FHAB O=C(CSc1ccc(Br)cc1)NCCc1ccccc1 3524902 UJIHWTBICNLCEF-UHFFFAOYSA-N 350.281 3.900 0 40 FHAB COc1ccc(NC(=O)c2cc(OC)ccc2Br)c(OC)c1 3606712 BQSWYSWGFQWQFN-UHFFFAOYSA-N 366.211 3.727 0 40 FHAB O=C1NC2(CCCCCC2)C(=O)N1Cc1ccc(Br)cc1 3610264 UZAWTGYBWWEYFR-UHFFFAOYSA-N 351.244 3.594 0 40 FHAB Nn1c(SCc2ccc(-c3ccccc3)cc2)nnc1C(F)(F)F 4996299 FCPMDLRORJPEJW-UHFFFAOYSA-N 350.369 3.970 0 40 FHAB Cc1sc(C)c(I)c1I 5045936 NSXXCZAXYIHWGM-UHFFFAOYSA-N 363.989 3.574 0 40 FHAB CCOc1ccc(-c2cccc(NC(=O)Cc3ccc(F)cc3)c2)nn1 5259608 XFZCURWCXUWFCU-UHFFFAOYSA-N 351.381 3.863 0 40 FHAB Nn1c(SCc2csc(-c3ccc(F)cc3)n2)nnc1-c1ccco1 5335959 MZOWPDKBAWKMCO-UHFFFAOYSA-N 373.438 3.807 0 40 FHAB Cc1ccc(-c2cc(C(=O)Nc3nnc(CC(C)C)s3)n[nH]2)c(O)c1C 5339823 BYPIAHBBNMAQGI-UHFFFAOYSA-N 371.466 3.701 0 40 FHAB Cc1nnc(CSc2nnc(-c3ccoc3C)n2-c2ccccc2)o1 5883065 CRNXFWVRUBQXJF-UHFFFAOYSA-N 353.407 3.819 0 40 FHAB Cc1cc(NC2(c3nnnn3-c3c(C)cccc3C)CCCCC2)no1 5943090 AYWMZZKMGHLDNG-UHFFFAOYSA-N 352.442 3.847 0 40 FHAB CC1CCN(C(=O)COC(=O)c2ccccc2Oc2ccccc2)CC1 6351662 YDTOCWFXLBLPNK-UHFFFAOYSA-N 353.418 3.894 0 40 FHAB C[C@@H]1C[C@@H](C)CN(Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 6627110 JCDYJYAVTWCEQV-HUUCEWRRSA-N 353.491 3.901 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)Nc2nonc2-c2ccc(F)cc2)c1C 6662434 ZCXNRRXBCACFDZ-CYBMUJFWSA-N 355.369 3.899 0 40 FHAB COc1ccc(-c2ccc(CNn3c(C)n[nH]c3=S)o2)cc1Cl 7602298 DPPDFRDBQJJWPC-UHFFFAOYSA-N 350.831 3.915 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)COc1ccc(Cl)c(C)c1 7644062 ROBVCFBXMXHCDM-UHFFFAOYSA-N 360.841 3.806 0 40 FHAB O=C1c2ccccc2N[C@@H](c2ccncc2)N1Cc1ccc2c(c1)OCO2 7885178 UHNLMJUMCDOKMU-HXUWFJFHSA-N 359.385 3.577 0 40 FHAB C[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1 8050659 HIOWRPIYQITDAN-AWEZNQCLSA-N 356.853 3.887 0 40 FHAB Cc1cc(C2=NN=C(NCc3ccco3)SC2)c(C)n1Cc1ccco1 8263823 DKRNASHMDHJTRR-UHFFFAOYSA-N 368.462 3.936 0 40 FHAB CNCc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 8377320 KINUYPGLQRFCJC-UHFFFAOYSA-N 354.219 3.895 0 40 FHAB CCOc1ccccc1C(=O)N[C@@H](C(=O)OCc1ccccc1)C(C)C 8404378 YHLRQKWZDCUFML-LJQANCHMSA-N 355.434 3.583 0 40 FHAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1nc2ccccc2s1 8944079 OZOUEUPXUACLEO-OAHLLOKOSA-N 355.463 3.846 0 40 FHAB COc1ccc(NC(=O)NC[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 9040190 HQQBEUCKJWLBHJ-CYBMUJFWSA-N 373.840 3.523 0 40 FHAB Cc1cc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(F)cccc3s2)no1 9206721 WBIDAZGBBVUFHY-NSHDSACASA-N 361.398 3.558 0 40 FHAB Cc1cc(Nc2ccc(C(N)=O)cc2)n2ncc(-c3ccc(F)cc3)c2n1 9341720 SHGPBDGQHKIMIE-UHFFFAOYSA-N 361.380 3.686 0 40 FHAB Cc1cc(C)c2c(-c3ccccc3)nc(S[C@H]3C[C@H](C)OC3=O)n2n1 9512650 ZQOWLVOTJICRJU-ZFWWWQNUSA-N 353.447 3.809 0 40 FHAB Cc1ccc(C)n1-c1nc2ccc(C(=O)N3CCSCC3)cc2s1 9575370 SPTHHWKLXVRLNR-UHFFFAOYSA-N 357.504 3.893 0 40 FHAB CCOc1cc(C(=O)N2CCc3[nH]c4ccccc4c3C2)ccc1OC 9901636 MLZOQZABVSXDFM-UHFFFAOYSA-N 350.418 3.774 0 40 FHAB CCC(=O)N1c2ccccc2[C@H](N(c2ccccc2)S(C)(=O)=O)C[C@@H]1C 10153287 RDPIDGCTNHUHQP-HNAYVOBHSA-N 372.490 3.729 0 40 FHAB Cc1ccc(NC(=N)Nc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)c(C)c1 10156519 RWRJHDKABHDLBS-UHFFFAOYSA-N 361.449 3.745 0 40 FHAB O=S(=O)(c1cccc(Cl)c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 10628755 UQQZBNJQXMNZBT-INIZCTEOSA-N 361.854 3.742 0 40 FHAB COc1ccc(NCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1Cl 11257291 KJHBJAQQOCYDKT-GFCCVEGCSA-N 373.840 3.524 0 40 FHAB CSc1ccc(CN(C)C(=O)C[C@H](NC(C)=O)c2cccs2)cc1 11519059 RBYNQOJHZOVMAM-INIZCTEOSA-N 362.520 3.696 0 40 FHAB COc1cc(CNc2ccc(C(=O)N(C)C)cc2)ccc1OC(F)F 11618145 LWSNGIXODOMYPD-UHFFFAOYSA-N 350.365 3.611 0 40 FHAB COc1cccc(F)c1-c1nc(C(=O)NCc2cccnc2)c(C)s1 11866065 OCBGCBLZYCROMP-UHFFFAOYSA-N 357.410 3.591 0 40 FHAB CC(C)C[C@H](NC(=O)Cc1cccc(F)c1)c1nc2cccnc2n1C 12220139 LNUJGLKWHIHMIU-KRWDZBQOSA-N 354.429 3.554 0 40 FHAB Cc1nc([C@H](Cc2ccsc2)NC(=O)CCn2cccn2)sc1C 12228079 SFLQZUXOPOCFFI-HNNXBMFYSA-N 360.508 3.508 0 40 FHAB Cc1ccc(-n2cc(CN[C@@H]3CCC[C@H]3Cc3cc(C)no3)cn2)cc1 12366559 BFTXGXFPVJUPQS-GHTZIAJQSA-N 350.466 3.978 0 40 FHAB CC(=O)c1ccc(N2CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)c(F)c1 12510255 YUFMJNKAQLSZEE-MRXNPFEDSA-N 368.452 3.871 0 40 FHAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1ccccc1F 12801449 QRHIOXXMJFDFIG-UHFFFAOYSA-N 371.437 3.574 0 40 FHAB CCN(C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1nc2ccccc2s1 12973166 PZRURVXLRSBBAQ-ZDUSSCGKSA-N 369.421 3.914 0 40 FHAB CN(C)C(=O)c1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1 12983005 XHLNKJAUHQPUPB-UHFFFAOYSA-N 357.460 3.826 0 40 FHAB Cc1nc(Cn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)no1 12986961 FEZQTMHPDKXADU-UHFFFAOYSA-N 358.810 3.518 0 40 FHAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 13010035 NISZFXUNTPRZSV-GFCCVEGCSA-N 366.339 3.789 0 40 FHAB C[C@@H](Cc1ccccc1)NC(=O)CCCC(=O)N[C@H](C)Cc1ccccc1 13562359 KOZXPMZUPKFBGS-KDURUIRLSA-N 366.505 3.652 0 40 FHAB COC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c(-c3ccccc3)cnn12 13645363 GZVXZQFUOZIQIO-UHFFFAOYSA-N 373.368 3.579 0 40 FHAB COc1ccc(-c2noc(CCC(=O)N[C@@H](C)c3ccc(F)cc3)n2)cc1 14054300 FCPSREOVNKDOJW-ZDUSSCGKSA-N 369.396 3.694 0 40 FHAB C[C@@H]1CCCCN1CCCNC(=O)Cc1csc(-c2cccs2)n1 14247687 XREWCMHUUFFIFV-CQSZACIVSA-N 363.552 3.795 0 40 FHAB COc1ccc(S(=O)(=O)N2CCc3cc4cc(C)ccc4nc32)cc1C 15841889 FORSNIPCVYFMPL-UHFFFAOYSA-N 368.458 3.612 0 40 FHAB CC(=O)c1ccc(N2CCN(C(=O)/C=C/c3cccc(F)c3)CC2)c(F)c1 16110914 VNYMWQTYFPCTMH-VMPITWQZSA-N 370.399 3.529 0 40 FHAB Cc1ccc(NC(=S)NC2CCN(C(=O)c3ccccc3)CC2)cc1C 16705112 LSKMRDGPFRQMMT-UHFFFAOYSA-N 367.518 3.895 0 40 FHAB CN1CCCN(C(=O)CCCc2cccs2)c2nc3ccccc3nc21 17364580 KTQBYLYZGHJYKT-UHFFFAOYSA-N 366.490 3.887 0 40 FHAB CC(=O)Nc1ccc(C(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)cc1 19022304 GOXCGDRZEOPFCI-UHFFFAOYSA-N 362.433 3.541 0 40 FHAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2cc3cnccc3[nH]2)CC1 19078012 QCSRFBTZDMDDQU-CQSZACIVSA-N 367.424 3.876 0 40 FHAB O=c1cc([C@@H]2CCCCN2Cc2ccsc2)nc(-c2ccncc2)[nH]1 19405829 LMMHPCWGNSTPKS-KRWDZBQOSA-N 352.463 3.621 0 40 FHAB CN(C(=O)c1cccc(F)c1)C1CCC2(CC1)CNCc1ccccc1O2 19586664 GWXSCEWRHUBMGI-UHFFFAOYSA-N 368.452 3.761 0 40 FHAB Cn1cc(CN2CCO[C@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)cn1 19692426 NMSXYPCYLUVBAG-FQEVSTJZSA-N 368.868 3.709 0 40 FHAB S=c1sc2ccccc2n1CN1CCN(Cc2ccncc2)CC1 22924538 QTAQBNMUPSKUTD-UHFFFAOYSA-N 356.520 3.603 0 40 FHAB O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCCc2ccccc21 22957191 JYFBGXKMWITPIM-UHFFFAOYSA-N 357.353 3.727 0 40 FHAB CC(C)NC(=O)[C@H]1CCCN(c2ccc(-c3ccc(Cl)cc3)nn2)C1 23142808 ZDYQRAHPIKEUBD-HNNXBMFYSA-N 358.873 3.538 0 40 FHAB COc1cc(CC(=O)N(C)c2nc3ccccc3s2)cc(OC)c1OC 25048697 VDMOYCUCDVRQTB-UHFFFAOYSA-N 372.446 3.528 0 40 FHAB COc1ccc(OC)c(C(=O)CSc2nccn2-c2ccccc2)c1 26128188 CIJIAZPIQHBDKY-UHFFFAOYSA-N 354.431 3.865 0 40 FHAB NC(=O)[C@H](Nc1ccc2nc(N3CCCC3)sc2c1)c1ccccc1 26225986 YSEQDELZWBZNQN-QGZVFWFLSA-N 352.463 3.535 0 40 FHAB C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cccc2ncccc12 26983892 DRGDZFCLJNXJAZ-HNNXBMFYSA-N 374.444 3.801 0 40 FHAB Cc1cc(C)cc(OCC(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 27584281 QMYNPWGBXFHDMX-SFHVURJKSA-N 358.507 3.697 0 40 FHAB CC(=O)c1c(N2C=C(C)C(C)=NN(c3ccccc3)C2=O)oc(C)cc1=O 28526927 NKLZLZOPEXPFBO-UHFFFAOYSA-N 365.389 3.877 0 40 FHAB O=C(COC(=O)Cc1coc2cc3c(cc12)CCC3)Nc1cccc(F)c1 28918487 BWNCFAYBXBWBKQ-UHFFFAOYSA-N 367.376 3.785 0 40 FHAB CCc1c(C)sc2nc(N[C@@H](CC)CO)n3nc(-c4ccco4)nc3c12 32088997 SODADBGTBCKTSG-NSHDSACASA-N 371.466 3.653 0 40 FHAB COc1cccc(CC(=O)NCc2ccc(OCc3cccnc3)cc2)c1 32930341 IVNCWZBSWVUGSA-UHFFFAOYSA-N 362.429 3.528 0 40 FHAB COc1cc(-c2nc3cnccn3c2Nc2ccccc2OC)ccc1O 35615975 JXPQOSQAAAQJGM-UHFFFAOYSA-N 362.389 3.863 0 40 FHAB O=C(CCCC(=O)c1cccs1)NCCOc1cccc(Cl)c1 36391243 JLHGZZLOFMYRHB-UHFFFAOYSA-N 351.855 3.950 0 40 FHAB O=C(NCCNc1nc2ccccc2s1)c1nc(Cl)ccc1Cl 36395464 MOMKEYHLXQDXFQ-UHFFFAOYSA-N 367.261 3.840 0 40 FHAB CCC[C@H]1NC(=O)N(CN(C)[C@H](c2ccccc2)c2ccc(F)cc2)C1=O 36400902 QLZNOLZVSRRYIY-RTBURBONSA-N 369.440 3.525 0 40 FHAB O=C(NCc1ccccc1)c1c(NC(=O)C2CC2)sc2c1CCCC2 39975950 OFOZIODTNWTVFE-UHFFFAOYSA-N 354.475 3.905 0 40 FHAB COc1ccccc1CC(=O)NCc1ccccc1CN1CCC[C@H](C)C1 40107120 JNVOCKAOYRORCC-SFHVURJKSA-N 366.505 3.786 0 40 FHAB NC(=O)c1cccc2c1CCCN2C(=O)Cc1ccc(Cl)c(Cl)c1 41578186 DZYKKWFNHPDXLM-UHFFFAOYSA-N 363.244 3.614 0 40 FHAB CC(=O)Nc1nc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cs1 42018358 AAUDVXHVKQRPQC-UHFFFAOYSA-N 358.467 3.590 0 40 FHAB COc1ccc(OC)c(CCC(=O)N2CCC(Nc3ccccc3)CC2)c1 48292299 JYUFCCIDZYYWEP-UHFFFAOYSA-N 368.477 3.740 0 40 FHAB Cc1cc(Br)c(S(=O)(=O)N2CCCCC2)cc1Cl 54363114 CFVJGBNIYDQIHN-UHFFFAOYSA-N 352.681 3.586 0 40 FHAB CCC[C@@H](c1nnnn1C(C)(C)C)N1CCN(c2cccc(C)c2C)CC1 57669661 RKKWKSUAABDTOA-IBGZPJMESA-N 370.545 3.708 0 40 FHAB Cc1cc(-c2noc(CCC(=O)N3CCn4cccc4[C@@H]3C)n2)ccc1F 58167569 NAWDSHQMJKUSOH-AWEZNQCLSA-N 368.412 3.522 0 40 FHAB CC(=O)Nc1cc(C(=O)O[C@H](C(=O)N2CCCC[C@@H]2C)C(C)C)ccc1C 61305673 ZAZPKFDCGAVQCN-KXBFYZLASA-N 374.481 3.536 0 40 FHAB C[C@@H](C(=O)N[C@H](C)c1cccs1)n1c(S)nnc1-c1cccs1 65511967 SYPJFWDUYMHKFM-ZJUUUORDSA-N 364.521 3.795 0 40 FHAB COc1ccc(NC(=O)CN2CCC(c3cccs3)CC2)cc1OC 85473444 CLZYBMDNQYURLB-UHFFFAOYSA-N 360.479 3.583 0 40 FHAB COc1ccc([C@H]2NC(=O)CN2Cc2ccc(-c3ccccc3)cc2)cc1O 95376600 PVZMYAUOLHFBKE-QHCPKHFHSA-N 374.440 3.698 0 40 FHAB O=C(Nc1nc(-c2ccccc2)ns1)N1CCO[C@@H](c2ccccc2)C1 95377529 GZCOJQMOCACQTL-MRXNPFEDSA-N 366.446 3.811 0 40 FHAB CC[C@@H](C)N[C@@H]1CC2(CCN(c3ncccn3)CC2)Oc2ccccc21 96242791 GAIUIXIDXPVBKL-SJLPKXTDSA-N 352.482 3.728 0 40 FHAB CC(C)CC(=O)N[C@H](C)c1c(-c2ccc(Cl)cc2)noc1C(=O)O 96296846 UWWCFJSMEGPLKF-SNVBAGLBSA-N 350.802 3.917 0 40 FHAB biogenic,in-vitro O=C(/N=c1\c2ccccc2[nH]c(=O)n1Cc1ccccc1)Nc1ccccc1 101113844 QNZWLUNBBPIRGC-LKUDQCMESA-N 370.412 3.511 0 40 FHAB COc1ccc(N(C(=O)c2cc(-c3cccnc3)on2)C(C)C)cc1F 158146354 XGLBYLZJTNUFPD-UHFFFAOYSA-N 355.369 3.940 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1 219542874 FNTKSASUBJLUNR-IRXDYDNUSA-N 357.450 3.663 0 40 FHAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1 223409354 CSZQNYZUNOBUDK-RTBURBONSA-N 364.474 3.591 0 40 FHAB COc1ccc(CC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1C 224734266 XPCCMSYPNLJTCV-UHFFFAOYSA-N 365.433 3.563 0 40 FHAB CCC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)NC(C)C 224819429 UFZBLJUFMCACIH-OAQYLSRUSA-N 366.505 3.870 0 40 FHAB CCc1ccc([C@@H](C)NC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)cc1 225210266 UVUYOKFSYXRQJJ-OAHLLOKOSA-N 374.506 3.526 0 40 FHAB C[C@H]1Cc2ccccc2N1CCCNC(=O)c1ccc(Cn2ccnc2)cc1 225586498 XRSYTDHFDSNGFU-SFHVURJKSA-N 374.488 3.503 0 40 FHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)c(C)c1C 225600337 WXFLZNYAQHAEOO-UHFFFAOYSA-N 353.871 3.786 0 40 FHAB COc1ccc2oc(C(=O)OCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c(C)c2c1 245263837 BEFBYNRDFVVVTI-PBFPGSCMSA-N 373.449 3.848 0 40 FHAB CN(C)Cc1cccc(-c2cccnc2C(=O)NCc2ccccc2F)c1 257253936 KAXSPLKGRFZQDB-UHFFFAOYSA-N 363.436 3.879 0 40 FHAB O=C(Cc1cccs1)N1CCC[C@H]1c1cccc(CN2CCCC2)n1 257339204 ZARKQFDJUDKITJ-IBGZPJMESA-N 355.507 3.645 0 40 FHAB O=C(c1ccc2nncn2c1)N(Cc1cccs1)C1Cc2ccccc2C1 501292508 PUKLTBWVRYRZGP-UHFFFAOYSA-N 374.469 3.601 0 40 FHAB Cc1c(F)cccc1NC(=O)CCN1CC[C@H](n2ncc3ccccc32)C1 510410617 AHINIPQMOBJJKT-KRWDZBQOSA-N 366.440 3.759 0 40 FHAB CCCN1C[C@@H]2Oc3cc(-c4ccc(F)cc4F)ccc3C(=O)N(C)[C@@H]2C1 514289861 PJYDHLRITZOMSJ-QUCCMNQESA-N 372.415 3.559 0 40 FHAB biogenic,in-vitro Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC=C(c2ccncc2)C1 552377439 YZYGDPAESCFERY-UHFFFAOYSA-N 359.429 3.903 0 40 FHAB Cc1ccc(CN2CCC3(CC2)OCC[C@H]3CCOc2cccnc2)o1 585103397 AWVNBXTUUBEBEK-GOSISDBHSA-N 356.466 3.823 0 40 FHAB CC(C)(C)OC(=O)c1ccc(C(=O)NCc2ccc(C(F)F)cc2)nc1 592620235 SHGSBVMVQQNBAW-UHFFFAOYSA-N 362.376 3.905 0 40 FHAB Cc1nc(C)c(CNc2nccc(N[C@H]3CCCO[C@H]3C(C)C)n2)s1 682392750 ZKRIAAQPUYBQTH-YOEHRIQHSA-N 361.515 3.778 0 40 FHAB c1ccc(-c2noc(CCc3nnc(-c4cccc5ncccc45)o3)n2)nc1 1322904190 NXZOWCYYIYREBQ-UHFFFAOYSA-N 370.372 3.515 0 40 FHAB O=C1C[C@@]2(CCCN(Cc3cccs3)CC2)Nc2ccccc2CN1 1615525840 MUWODGZRODMWLY-FQEVSTJZSA-N 355.507 3.605 0 40 FHAB Cc1nc(C2CC2)nc(N2CCN(c3ccnc4ccccc34)CC2)c1F 1888914271 UMNYBDPCINTTBC-UHFFFAOYSA-N 363.440 3.676 0 40 FHAB COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cn1 22307466 HDFIQXJCOMZWEB-UHFFFAOYSA-N 366.748 3.563 0 40 FHAB O=C(NCc1ccccc1Cl)c1nc(-c2ccc3[nH]ccc3c2)no1 12321846 IEUSKHHCVLEQMF-UHFFFAOYSA-N 352.781 3.801 0 40 FHAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc12 1366342 CMBYFLASZPCAQG-QWRGUYRKSA-N 373.457 3.527 0 40 FHAB Cc1ccccc1C(=O)N1CCC(C(=O)N2CC[C@H]3CCCC[C@H]3C2)CC1 8935834 UCEOHTCNFKWNQQ-QUCCMNQESA-N 368.521 3.886 0 40 FHAB CCc1cc2c(NCCNC(=O)c3ccccc3Cl)ncnc2s1 42107851 VECJCOHRHKZYEU-UHFFFAOYSA-N 360.870 3.749 0 40 FHAB CCCCc1ccc(NC(=O)C(=O)NCCc2ccccc2Cl)cc1 3096358 DIXWUWKHBUADAO-UHFFFAOYSA-N 358.869 3.980 0 40 FHAB COc1ccc(C(=O)N2CCN=C2SCc2cccc(F)c2)cc1OC 4119863 SYAOHXPPNHJBCU-UHFFFAOYSA-N 374.437 3.588 0 40 FHAB Cc1ccc(C(=O)NCCNc2ncnc3sc4c(c23)CCCC4)cc1 4241380 NUPFTCKZHOHWLR-UHFFFAOYSA-N 366.490 3.720 0 40 FHAB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cnns1 54149356 CSAULVCYPPHLQG-UHFFFAOYSA-N 367.253 3.676 0 40 FHAB CN(Cc1ccc(Cl)s1)C(=O)Cc1csc(-c2ncccn2)n1 54127553 GMBDNTQBIPGGBC-UHFFFAOYSA-N 364.883 3.516 0 40 FHAB CC(C)NC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)C(C)(C)O2 4965827 NKDVGYBMNQWQPD-UHFFFAOYSA-N 370.424 3.668 0 40 FHAB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2ccc(C)cc2)C1=O 6654535 ONUVRXXRCXEBBI-VBKFSLOCSA-N 360.479 3.680 0 40 FHAB Cc1sc2ncn(CC(=O)N(C(C)C)C3CCCCC3)c(=O)c2c1C 7479265 NUYIVQSMTCCLTI-UHFFFAOYSA-N 361.511 3.645 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1OC 8049732 BDIJDVWIWOIQIS-CABCVRRESA-N 370.449 3.630 0 40 FHAB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(Cl)c(Cl)c2)C1=O 1147178 FDWDRWYOUXCYGA-WDZFZDKYSA-N 360.218 3.593 0 40 FHAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCO[C@H](c2ccc(F)cc2)C1 34870202 CJUJUTJNKFRJPC-XOBRGWDASA-N 352.409 3.952 0 40 FHAB O=C(NCCc1ccc(Cl)cc1)c1ccc(-c2ccccc2)[nH]c1=O 107756513 QIUXRCHDNAKABV-UHFFFAOYSA-N 352.821 3.668 0 40 FHAB O=C(O)c1cccc(S(=O)(=O)Nc2cccc(OC3CCCC3)c2)c1 12535922 KUCPKFUZTUKLIJ-UHFFFAOYSA-N 361.419 3.507 0 40 FHAB COc1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c(OC)c1 57413441 WFDGWBJMDZPYQN-UHFFFAOYSA-N 371.824 3.677 0 40 FHAB C[C@@H](CNC(=O)C(Cl)(Cl)Cl)OC(=O)Nc1cccc(Cl)c1 1879852 DXYKAKWMWZLQDR-ZETCQYMHSA-N 374.051 3.763 0 40 FHAB CC[C@@H](C)c1ccccc1NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 3281037 NBXCXGBOAUQXLQ-FAGJFJLWSA-N 371.481 3.639 0 40 FHAB Cc1cccc(OCCCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1 10031838 MMGPUGKFJWGPKZ-CQSZACIVSA-N 370.474 3.627 0 40 FHAB Cc1n[nH]c2c1[C@H](c1cccc(Oc3ncccn3)c1)SCC(O)=N2 44918431 BFWQFMXQEFEVGB-HNNXBMFYSA-N 353.407 3.725 0 40 FHAB Cc1[nH]c2ccccc2c1C1CCN(C(=O)[C@@H](C)OC[C@H]2CCCO2)CC1 58428556 RHKQMPZRFSCMHH-SJLPKXTDSA-N 370.493 3.766 0 40 FHAB O=C(Cn1ccc(=O)c2ccccc21)N1CCC[C@@H]1c1ccc(F)cc1 58427182 WMENGWHKMKTVEU-GOSISDBHSA-N 350.393 3.504 0 40 FHAB Cc1cc2oc(C(=O)NC[C@H](c3cccs3)N(C)C)cc(=O)c2cc1C 28289108 CPSGFOQSHFBQBC-OAHLLOKOSA-N 370.474 3.504 0 40 FHAB COc1ccc(Cl)cc1C(=O)NCC1CCN(Cc2ccco2)CC1 23016621 NMFOKGRTLAMTJG-UHFFFAOYSA-N 362.857 3.584 0 40 FHAB COC(=O)c1ccc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)cc1 2301048 SCXGSFSIKYIIBS-UNOMPAQXSA-N 357.365 3.971 0 40 FHAB C[C@H]1CN(C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C[C@H](C)O1 12778028 XJWPPZANMLAHBA-KBPBESRZSA-N 357.837 3.820 0 40 FHAB COc1cc(OC)cc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1 12744203 AHKVKQAMJWTUHE-UHFFFAOYSA-N 357.450 3.810 0 40 FHAB CCN(CC)c1ccc(-c2nn3c(-c4ccncc4)nnc3s2)cc1 2422357 FJTCXYRGHVNTPU-UHFFFAOYSA-N 350.451 3.761 0 40 FHAB CCc1cccc(CC)c1NC(=O)CCn1cnc2sccc2c1=O 11470253 RDDDPMFWBLBCON-UHFFFAOYSA-N 355.463 3.612 0 40 FHAB O=C1CN(c2ccccc2)C(=O)N1Cc1c(Cl)ccc2cccnc12 48374376 MKUCZUWADGGZSV-UHFFFAOYSA-N 351.793 3.857 0 40 FHAB COc1ccc(-c2ccnc3[nH]n(-c4cccc(C)c4)c(=O)c23)cc1OC 10157174 VPKSCUPHQWRKCN-UHFFFAOYSA-N 361.401 3.706 0 40 FHAB Cc1nc(NS(=O)(=O)c2ccccc2C)c2c3c(sc2n1)CCCC3 2659379 VMHGOAQTDDOVDI-UHFFFAOYSA-N 373.503 3.988 0 40 FHAB COc1ccccc1C1=N/C(=C/c2cc(Cl)c(OC)c(OC)c2)C(=O)O1 12820997 XACUSPZFAKBTAF-NTEUORMPSA-N 373.792 3.710 0 40 FHAB CC1CCN(Cc2csc(NC(=O)COc3ccc(F)cc3)n2)CC1 12855737 WEWWDBJKWMLMPK-UHFFFAOYSA-N 363.458 3.532 0 40 FHAB COCCOc1cc(NC(=O)CCn2ccc3ccccc32)ccc1OC 25224349 DIGSFPKFOJFKEQ-UHFFFAOYSA-N 368.433 3.704 0 40 FHAB Cn1ccnc1SCC(=O)NCCC(c1ccccc1)c1ccccc1 3416409 GCMNNQMFTSFGJE-UHFFFAOYSA-N 365.502 3.851 0 40 FHAB CCOc1ccccc1-n1nnnc1SCC(=O)c1cc(C)ccc1C 3527586 YFISCCGKZHNCFO-UHFFFAOYSA-N 368.462 3.653 0 40 FHAB CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CN1CCC(C)CC1 12910167 KQSPNAOXSGHFOE-GOSISDBHSA-N 373.541 3.601 0 40 FHAB CCCc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2C)cc1 6137806 PDNQMPAGIBMZRM-UHFFFAOYSA-N 352.463 3.805 0 40 FHAB O=C(CSc1nnc(-c2ccccc2Br)o1)c1ccc[nH]1 5102617 DWTLVGILPBLJBZ-UHFFFAOYSA-N 364.224 3.802 0 40 FHAB COc1cc(C(C)=O)ccc1Oc1ncnc2c1cnn2-c1ccccc1 4355239 RXTBFAUALHIHBC-UHFFFAOYSA-N 360.373 3.819 0 40 FHAB CCCC(=O)Nc1c(-c2ccc3c(c2)OCO3)c(=O)c2ccccc2n1C 5307142 MXOSFUBFLGUWRY-UHFFFAOYSA-N 364.401 3.673 0 40 FHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccccc2)cs1 4585735 CSIYOOPXIBAMFU-UHFFFAOYSA-N 372.471 3.856 0 40 FHAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccco2)cc1 5544413 XQLWRIXBAIAANL-PDGQHHTCSA-N 366.442 3.737 0 40 FHAB CCOc1cc([C@@H]2N=C(O)c3c(sc4c3CCN(CC)C4)N2)ccc1O 6654912 BZYPFOJGBZDNAZ-QGZVFWFLSA-N 373.478 3.659 0 40 FHAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(c2ccccc2F)CC1 4712027 CNFXXPMDQPWCNF-UHFFFAOYSA-N 357.816 3.923 0 40 FHAB CCN1CCCC[C@@H]1CNC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 97164671 XZTFQISCVOMVPG-GOSISDBHSA-N 356.470 3.954 0 40 FHAB Cc1ccccc1OCCN(C)CC(=O)Nc1ccccc1C(F)(F)F 15099201 RQPUNEFPBIPOFV-UHFFFAOYSA-N 366.383 3.963 0 40 FHAB CCc1cccc(NC(=O)c2sccc2NC(=O)c2cnccn2)c1 67335923 NVIITUBJDBBXRP-UHFFFAOYSA-N 352.419 3.605 0 40 FHAB C[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)c1cccs1 9454180 WPGBAYQSARMWDZ-LBPRGKRZSA-N 369.442 3.599 0 40 FHAB CCn1c(SCC(=O)N[C@@H](C)c2ccco2)nnc1-c1cccs1 7477824 RQURGESYWMDJIG-NSHDSACASA-N 362.480 3.589 0 40 FHAB COc1ccc(-n2ccnc2SCC(=O)NCCC2=CCCCC2)cc1 7738732 ZUXCKUQXXNGTIM-UHFFFAOYSA-N 371.506 3.980 0 40 FHAB Cc1cc(OCC(=O)Nc2nnc(-c3ccc(F)cc3)[nH]2)ccc1Cl 8116703 OJVRUHMBEFIAOF-UHFFFAOYSA-N 360.776 3.590 0 40 FHAB O=C(CCN1CCSC1=O)Nc1ccc(-c2cn3ccsc3n2)cc1 8134401 NBCFDMYXQZZSHZ-UHFFFAOYSA-N 372.475 3.560 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)N2CCCCC[C@@H]2c2cccn2C)cc1 8156339 VOXLYDXPFTYSQI-LJQANCHMSA-N 360.479 3.534 0 40 FHAB O=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)Nc1ccccc1 16956483 ZIWNGEZRHOWWGA-UHFFFAOYSA-N 358.467 3.943 0 40 FHAB Cc1cccc(OC(=O)C2CCC(N3C(=O)[C@H]4CCCC[C@H]4C3=O)CC2)c1 18243872 PVDKDZDRYPQGKP-JVPGXQPFSA-N 369.461 3.634 0 40 FHAB NC(=O)CSc1ccccc1NC(=O)/C=C/c1ccc(F)c(Cl)c1 8757259 OGPDKCBNFLTMGW-SOFGYWHQSA-N 364.829 3.708 0 40 FHAB COc1cccc(CNC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c1 9754359 JAACEPYWFXWFTR-UHFFFAOYSA-N 364.401 3.779 0 40 FHAB Cn1ccnc1[C@H]1CCCN1C(=O)CCC(=O)c1ccc2c(c1)CCCC2 95456714 XAAMXMSWXUTXTD-LJQANCHMSA-N 365.477 3.626 0 40 FHAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1cccc2c1OCCO2 88363953 CUSPGEVXBCUQTN-MRXNPFEDSA-N 367.449 3.720 0 40 FHAB Cc1c(C(=O)COC(=O)c2cncc(Br)c2)oc2ccccc12 23950696 SLAXZBLFXATDPU-UHFFFAOYSA-N 374.190 3.938 0 40 FHAB COc1ccccc1-c1cc(NS(=O)(=O)c2cccc(Cl)c2)n[nH]1 75094443 FAIIHBZARZYQNJ-UHFFFAOYSA-N 363.826 3.540 0 40 FHAB O=C(CN1C(=O)CC2(CCCCC2)CC1=O)Nc1ccc(F)c(Cl)c1 89769808 VWUHBQOKDLMNER-UHFFFAOYSA-N 366.820 3.517 0 40 FHAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OC)cc3OC)S2)cc1 408776178 MXWSPQXEOUYKER-OLROSQPISA-N 370.474 3.866 0 40 FHAB Cc1cc(NC(=S)NC(=O)c2ccccc2)ccc1-c1ccc(CO)o1 20151473 RNZKEZINJAGCKH-UHFFFAOYSA-N 366.442 3.874 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1Cl 408589721 FEOZXLRPZPUXLY-UHFFFAOYSA-N 371.842 3.557 0 40 FHAB O=C(NCc1ccccc1OCC1CC1)N1CCOc2cccc(F)c2C1 511484044 QRQRXYZJTJDQOR-UHFFFAOYSA-N 370.424 3.719 0 40 FHAB CCCN(CCC)C(=O)Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1 409131583 JKUZGOJEROQMBP-UHFFFAOYSA-N 374.466 3.604 0 40 FHAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)c1 408564522 ZCCCBCGATCFYBG-UHFFFAOYSA-N 373.478 3.732 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 38771306 WDGIYTTVRFBTLB-DYVFJYSZSA-N 361.413 3.878 0 40 FHAB CCCCCNc1ccc(S(=O)(=O)Nc2ccccc2)cc1C(=O)O 217639463 KTHKNINRIMQSKM-UHFFFAOYSA-N 362.451 3.788 0 40 FHAB CCc1nc(NCc2cccs2)c2nnn(Cc3ccccc3)c2n1 35315918 WDITWSOCBWMVAP-UHFFFAOYSA-N 350.451 3.506 0 40 FHAB O=C(CSc1cc(N2CCCCC2)ncn1)Nc1cccc(Cl)c1 33301263 DHTAMKSWTMNDIX-UHFFFAOYSA-N 362.886 3.851 0 40 FHAB CCn1cc(C(=O)Nc2ccccc2OC)c(=O)c2cc(Cl)ccc21 32607793 NRCPMXBXZYRMQP-UHFFFAOYSA-N 356.809 3.936 0 40 FHAB Cn1ccnc1CN1CCC[C@H]1c1cncc(Oc2ccc(Cl)cc2)n1 72384203 QCBADIFVYNDCKM-KRWDZBQOSA-N 369.856 3.993 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3ccccn3)c3c(C)nn(C)c3n2)cc1 36613238 FQGGBMPHFBZAOB-UHFFFAOYSA-N 373.416 3.600 0 40 FHAB CC(C)C(=O)Nc1cc(C(=O)N2CCC[C@H]2CCc2ccccc2)ccn1 562762093 WDQXSSFHDSMLHK-IBGZPJMESA-N 365.477 3.914 0 40 FHAB COc1cc(-c2cc(-c3ccccc3C)nc(N)n2)cc(OC)c1OC 71978096 SOFHWPHGZBGRIH-UHFFFAOYSA-N 351.406 3.727 0 40 FHAB CCn1c(=O)sc2cc(NC(=O)/C=C/c3ccccc3OC)ccc21 225075424 KPNCFFLQDVPQGS-DHZHZOJOSA-N 354.431 3.743 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)NCc1ccc(CN2CCCC2)cc1 44873156 DONCPNSYNUILQY-FQEVSTJZSA-N 370.468 3.895 0 40 FHAB COc1ccc(NC(=O)c2snnc2-c2ccc(F)cc2)c(OC)c1 225780225 QDDDJHBUTBEJIF-UHFFFAOYSA-N 359.382 3.614 0 40 FHAB COc1ccc(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1C 224083338 YPWVGZOWUQDJPE-UHFFFAOYSA-N 372.896 3.857 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 224355486 IAVALOAAPBKJHQ-HXUWFJFHSA-N 370.468 3.702 0 40 FHAB C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCO[C@@H](c2ccc(F)cc2)C1 245237658 PNKNKOHTAWTGAW-BUSATUKNSA-N 362.489 3.528 0 40 FHAB CC1CCC(NC(=O)[C@H]2[C@@H]3[C@H]2CC[C@]32CC(=O)c3ccccc3O2)CC1 248007942 WMFQZJOXVFTIGJ-XRCWCEFZSA-N 353.462 3.742 0 40 FHAB c1cc(-c2cn[nH]c2)nc([C@H]2CN(Cc3ccnc4ccccc34)CCO2)c1 257252431 JUTJZLDISSAYOL-JOCHJYFZSA-N 371.444 3.593 0 40 FHAB Cc1nc(CN2CCC(c3ccnc(Nc4cnccn4)c3)CC2)cs1 257339757 ZDBGAYPTWIKWJG-UHFFFAOYSA-N 366.494 3.760 0 40 FHAB Cc1cc(C)c(C(=O)O)cc1NC(=O)c1cnc2c(cnn2C(C)C)c1 262533194 PXHSVKBINXXPGO-UHFFFAOYSA-N 352.394 3.580 0 40 FHAB O=C(NCc1ccccc1CC(F)(F)F)NC1CC(N2CCCCC2)C1 623976190 ACDLGCHXWKWFBL-UHFFFAOYSA-N 369.431 3.608 0 40 FHAB O=C(O)Cc1cccc(NC(=O)c2ccccc2OCc2ccncc2)c1 676211436 SQIGOARQYDMVPN-UHFFFAOYSA-N 362.385 3.540 0 40 FHAB CCCSCc1nnc2sc(-c3ccc(OC)c(OC)c3)nn12 1772491300 XIYGTOANIJDQSP-UHFFFAOYSA-N 350.469 3.513 0 40 FHAB CN(C)Cc1cc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)ccn1 585182243 CSRMBCCQYPCKRA-KRWDZBQOSA-N 355.507 3.671 0 40 FHAB O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@H]1CC(c2cccc(F)c2)=NO1 36833065 NHPUTVMGQZDRDF-GZBFAFLISA-N 358.335 3.556 0 40 FHAB O=C(CCc1cccc(Cl)c1)NCC1CCN(CC(F)(F)F)CC1 548378862 QLHGJRIMEHPFFC-UHFFFAOYSA-N 362.823 3.663 0 40 FHAB Cc1ccc(N2CCC[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)C2)nn1 585234501 YFVUJXHSUGESSY-GFCCVEGCSA-N 365.264 3.947 0 40 FHAB CC1(C)[C@@H]2C[C@@H]1C[C@@H]1OB(B3O[C@@H]4C[C@H]5C[C@@H](C5(C)C)[C@@]4(C)O3)O[C@]12C 197958384 VNEZFUGEQURPEN-ZGRNZVCFSA-N 358.096 3.521 0 40 FHAB Cc1nc(C)c(C(=O)N2CCC(c3cc4ncccc4cn3)CC2)s1 12224111 AZKHHLMUUUZJLF-UHFFFAOYSA-N 352.463 3.723 0 40 FHAB O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc(Cl)cc1 12329729 AFKAZPMURQQVBP-MOPGFXCFSA-N 373.880 3.724 0 40 FHAB C[C@@H](NC(=O)CN1CCC[C@@H]1c1cccn1C)c1cc2ccccc2o1 12812650 QWZBFOWGJSWULM-CRAIPNDOSA-N 351.450 3.786 0 40 FHAB CCOc1ccc(OC[C@@H](O)CN(C)Cc2c(F)cccc2Cl)cc1 12850346 WTMWYFBVDWEIKP-AWEZNQCLSA-N 367.848 3.750 0 40 FHAB Cc1c(Cl)cccc1NC(=O)[C@H](C)N(C)Cc1ccc2c(c1)OCCO2 12866185 CGDQEHABHYKPNM-AWEZNQCLSA-N 374.868 3.879 0 40 FHAB CC(C)(C)C(=O)N1CCc2ccc(NC(=O)Cc3ccc(F)cc3)cc21 13695289 VAXQAZDXZNZDPH-UHFFFAOYSA-N 354.425 3.942 0 40 FHAB COc1ccccc1OCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 18075389 GLGJHYYCLIPBNE-UHFFFAOYSA-N 363.841 3.701 0 40 FHAB CC(=O)Nc1cc2ccccc2nc1C1CCN(C(=O)C(C)(C)C)CC1 19022224 NDOIQJLKVNAIBS-UHFFFAOYSA-N 353.466 3.945 0 40 FHAB C[C@H](CCN1CC[C@@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1)c1ccccc1 19455606 NBDFZZHBQPJTOU-IEBWSBKVSA-N 374.488 3.815 0 40 FHAB COc1cc2c(cc1/C=C1\C(=O)Nc3cc(C(F)(F)F)ccc31)OCO2 209383707 NSFNIAGVACHGMS-QCDXTXTGSA-N 363.291 3.935 0 40 FHAB CCOCCCNc1ncc(-c2cccc(F)c2)c(-c2nccn2C)n1 19531056 LVVDAGMFLWNTMU-UHFFFAOYSA-N 355.417 3.522 0 40 FHAB COc1ccc(C)cc1-n1nnnc1SCC(=O)c1cc(C)ccc1C 4997740 SJBSWXYPKYBROX-UHFFFAOYSA-N 368.462 3.571 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)c2cc(C)cc(C)c2)c1 5443657 KQUFEUKGKJCFKP-UHFFFAOYSA-N 374.506 3.895 0 40 FHAB CC(C)c1nc2ccccc2n1C1CN(C(=O)Cc2ccc(F)cc2)C1 1888947696 CTYVEXPDDBHWRL-UHFFFAOYSA-N 351.425 3.925 0 40 FHAB CN1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1conc1-c1ccc(F)cc1 2037850035 JITXBAMUQQTMOO-CQSHLORDSA-N 369.440 3.568 0 40 FHAB CCN1Cc2ccccc2CC2(CCN(C(=O)C3CCCCC3)CC2)C1=O 1565550997 IHUBNAYPBIVSNB-UHFFFAOYSA-N 368.521 3.780 0 40 FHAB COC(=O)c1ccc2nc(NC(=O)Cc3ccc(Cl)s3)sc2c1 10061040 FZWNSSARLIDISJ-UHFFFAOYSA-N 366.851 3.979 0 40 FHAB Cc1cc(C)cc(NC(=O)CCCn2nc(-c3ccccc3)ccc2=O)c1 12440843 PLTHNSBMDDRNCR-UHFFFAOYSA-N 361.445 3.946 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 13714178 ZUJALQUBNASCKK-UHFFFAOYSA-N 372.852 3.766 0 40 FHAB C[C@@H](Oc1cccc(F)c1)C(=O)NCCOc1cccc(C(F)(F)F)c1 23142519 LYRXICXYGYHAHY-GFCCVEGCSA-N 371.330 3.807 0 40 FHAB O=C(Cn1ccc2ccccc21)NCc1nc(C2CCC(F)(F)CC2)no1 575616799 MTNOYIZGIIDYHN-UHFFFAOYSA-N 374.391 3.634 0 40 FHAB O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O 20531135 JRMADUOLSBXSTJ-JOCHJYFZSA-N 370.452 3.570 0 40 FHAB CN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 40159648 TZJDNJFRICBQBC-OAHLLOKOSA-N 352.862 3.698 0 40 FHAB Cc1cc(N2CCOCC2)ccc1NC(=O)c1csc(-c2ccco2)n1 32032273 MRFPCVNBGAFTMY-UHFFFAOYSA-N 369.446 3.800 0 40 FHAB COC(=O)c1cccc(NC(=O)/C=C/c2cnn(-c3ccccc3)c2)c1C 32764820 JXBXKYGJOAJNBU-VAWYXSNFSA-N 361.401 3.619 0 40 FHAB CCC[C@@H](NC(=O)NCc1ccc(Cn2cncn2)cc1)c1ccccc1 32795257 HQTYBANKHMYYGK-HXUWFJFHSA-N 363.465 3.667 0 40 FHAB O=C(OCCCOc1ccc(Cl)cc1)c1cc(=O)[nH]c2ccccc12 32823674 COBPGDAUFLCPBE-UHFFFAOYSA-N 357.793 3.807 0 40 FHAB COc1ccc2nc(SCCC(=O)N3CCc4ccccc43)[nH]c2c1 32870831 IGBYNGIUIWPUPE-UHFFFAOYSA-N 353.447 3.643 0 40 FHAB O=C([C@H]1COc2ccccc2O1)N1CCC[C@H]1c1nc2ccccc2s1 32960773 IRFHVSAFAOHSOA-WMLDXEAASA-N 366.442 3.800 0 40 FHAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3ccco3)C(=O)[C@@H]12 840489 ZDDKSSYMZSIYSA-CAZKKTPXSA-N 369.420 3.846 0 40 FHAB COc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)c(OC)c1OC 854778 JACUAUBOYRAJLL-UVTDQMKNSA-N 373.792 3.710 0 40 FHAB CCCCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)C2(C)C)C1=O 2114799 VZCGQPPERJYZQH-SFHVURJKSA-N 367.493 3.579 0 40 FHAB biogenic CCCC[C@@H](NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)c1ccccc1 2308055 XZVICJWMODTLOV-HNAYVOBHSA-N 364.445 3.719 0 40 FHAB COc1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2)N2CCCC2)cc1 3376651 LFSGPAYFZBTLNW-HXUWFJFHSA-N 372.896 3.844 0 40 FHAB COC(=O)c1cc(COC(=O)c2c(C)nn(-c3ccccc3)c2C)oc1C 3394491 QSBHEMZUDXOQFK-UHFFFAOYSA-N 368.389 3.534 0 40 FHAB COc1ccc(NC(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1Cl 3472257 CCNWQIAFCQPUQF-UHFFFAOYSA-N 365.813 3.556 0 40 FHAB COc1cc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc(OC)c1OC 3547695 RIALPAKFNBJAOI-UHFFFAOYSA-N 373.405 3.530 0 40 FHAB CCOc1ccc2nc(NC(=O)COc3ccc(C(C)=O)cc3)sc2c1 3559753 DRZYZWIKSUYDGB-UHFFFAOYSA-N 370.430 3.915 0 40 FHAB COc1ccc(-c2cc3ccc(OC(=O)N(C)C)cc3oc2=O)c(OC)c1 4085169 IMAXGULTAIRSJO-UHFFFAOYSA-N 369.373 3.538 0 40 FHAB biogenic CC(=O)c1ccc(OC[C@H](O)CN2CCC(Cc3ccccc3)CC2)cc1 4184468 FXFKJRUFWJBJDJ-JOCHJYFZSA-N 367.489 3.584 0 40 FHAB CCOc1ccc(-c2nnc3n2N=C(c2ccc(OC)cc2)CS3)cc1 4312945 YWFLPRABYJFZOB-UHFFFAOYSA-N 366.446 3.711 0 40 FHAB Cc1cc(-c2ccccc2)nc(SCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)n1 4821382 SFWBPEWXVHNEQZ-YXJHDRRASA-N 353.491 3.849 0 40 FHAB Cc1nnc(CSc2nnc(COc3ccc(Cl)cc3C)o2)o1 4943085 PRYXEFUKKHZKRN-UHFFFAOYSA-N 352.803 3.594 0 40 FHAB CCCC(=O)Nc1ccc(C(=O)COC(=O)c2cc3ccccc3[nH]2)cc1 4957505 WAJBWHSNQCFVFZ-UHFFFAOYSA-N 364.401 3.946 0 40 FHAB COc1cccc([C@H]2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)OC3)c1 5243846 WTIHFRVPZOUBNH-MRXNPFEDSA-N 369.804 3.680 0 40 FHAB CC(C)CC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 5375132 MNOIAMLGQSASQY-UHFFFAOYSA-N 372.490 3.813 0 40 FHAB CCc1ccc2[nH]c3nc(SCC(=O)N4CCCC[C@@H]4C)nnc3c2c1 5444960 BTUKMOQADNNSTH-LBPRGKRZSA-N 369.494 3.562 0 40 FHAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2C)cc1 6056646 OVWLRKYUSCEDPY-UHFFFAOYSA-N 352.463 3.923 0 40 FHAB CCOc1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1 6439636 ARJKUSMSMUOETN-UHFFFAOYSA-N 367.232 3.761 0 40 FHAB CN1C(=O)S/C(=C/c2ccccc2OCCOc2ccccc2)C1=O 6440555 QZCBLDMQTRBHCQ-GHRIWEEISA-N 355.415 3.811 0 40 FHAB COc1ccc(C(=O)[C@@H](C)Sc2nc3ccccc3n2C)c(OC)c1 6657528 QMNWCIAQLDOPCZ-GFCCVEGCSA-N 356.447 3.954 0 40 FHAB COc1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)cc1OC 6790699 VXUJQVGJLBTNFK-UHFFFAOYSA-N 359.407 3.684 0 40 FHAB Cc1cc(C(=O)Cn2nnc(-c3cccc(Cl)c3)n2)c(C)n1C1CC1 7149001 ZWZAYOVJJROBHG-UHFFFAOYSA-N 355.829 3.630 0 40 FHAB NC(=O)CCSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 7203683 IZDQGMKPBOMNSP-UHFFFAOYSA-N 372.881 3.614 0 40 FHAB CS(=O)(=O)c1cccc(NC(=O)c2ccc(COc3ccccc3)o2)c1 7944686 PSFJZFVVAAMOGV-UHFFFAOYSA-N 371.414 3.514 0 40 FHAB COc1cc(CNC[C@@H](C)O)ccc1OCc1ccc(F)cc1Cl 8535079 VCYPPKGRVIXHRV-GFCCVEGCSA-N 353.821 3.537 0 40 FHAB CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3ccsc3)n2)cc1 8709072 OWLJQQADLADJDL-UHFFFAOYSA-N 371.487 3.689 0 40 FHAB CCn1c(SCCCOc2ccc(C(=O)O)cc2)nnc1C(C)(C)C 8731789 OFYWMIUITXPQQC-UHFFFAOYSA-N 363.483 3.855 0 40 FHAB CN1C(=O)C(C)(C)COc2ccc(NC(=O)OCc3ccccc3)cc21 8959366 BXLPSJNLIUONQR-UHFFFAOYSA-N 354.406 3.817 0 40 FHAB O=c1c2c(-c3ccccc3)csc2ncn1Cc1ccc2c(c1)OCO2 9050212 XGEWZNHVJZDXHT-UHFFFAOYSA-N 362.410 3.902 0 40 FHAB CCOc1ccc(C(=S)N2CCN(c3ccccc3F)CC2)cc1OC 9187995 LONYQIUORBWIMP-UHFFFAOYSA-N 374.481 3.731 0 40 FHAB CN(C)[C@@H](CNC(=O)c1ccccc1Br)c1ccsc1 9267254 RLTWOAUSZUVMSH-AWEZNQCLSA-N 353.285 3.543 0 40 FHAB O=C(Nn1c(-c2ccco2)n[nH]c1=S)[C@@H]1C[C@@H]1c1ccccc1Cl 9544623 BHFINRFVCYUIFX-GHMZBOCLSA-N 360.826 3.728 0 40 FHAB CS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccccc2)ccc1Cl 9956705 ZRRAVWDDRLQIKS-INIZCTEOSA-N 363.866 3.721 0 40 FHAB COCCn1c(C)cc(C(=O)CSc2nc3ccc(OC)cc3[nH]2)c1C 10006487 HBBTYZREQOVVMZ-UHFFFAOYSA-N 373.478 3.611 0 40 FHAB Cc1nn(C)c2sc(C(=O)NCCCn3ccc4ccccc43)cc12 10469983 NQYVMCFXFAHQRR-UHFFFAOYSA-N 352.463 3.718 0 40 FHAB C[C@@H](OC(=O)c1ccc(NC(=O)C2CC2)cc1)C(=O)c1ccc(F)c(F)c1 11837896 CTSFDBLXECQUBX-LLVKDONJSA-N 373.355 3.742 0 40 FHAB Cc1ccc2c(c1)[C@H](NC(=O)c1scnc1C)CC1(CCOCC1)O2 12087023 KIINAEVWTCKDKC-OAHLLOKOSA-N 358.463 3.563 0 40 FHAB Cc1cccc(C(=O)N2CCC(c3nnsc3-c3ccncc3)CC2)c1 12135307 SQZZQNMPTOAQKU-UHFFFAOYSA-N 364.474 3.928 0 40 FHAB C[C@@H]1CN(c2ncc(-c3ccsc3)c(-c3cccnc3)n2)C[C@@H](C)O1 12222065 UVXMDVOMLFPIKY-ZIAGYGMSSA-N 352.463 3.881 0 40 FHAB COC(=O)CCCNC(=O)c1ccc(COc2ccc3ccccc3c2)o1 12889774 MAYFGZQGLBDEKM-UHFFFAOYSA-N 367.401 3.695 0 40 FHAB COCc1c(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)oc2ccccc12 13004846 IDOIPNZGFQSSAE-LLVKDONJSA-N 366.373 3.551 0 40 FHAB C[C@@H]1C[C@@H](c2ccccc2)n2nc(NC(=O)CCc3ccccc3)nc2N1 13127168 AYPOGAKWEVZOEN-QAPCUYQASA-N 361.449 3.643 0 40 FHAB CC1(C)C[C@]2(C[C@H](c3ccccc3)c3ccc(O)cc3O2)NC(=S)N1 13571052 REZKDIKSEAMYQF-OXQOHEQNSA-N 354.475 3.649 0 40 FHAB COc1ccc(-c2cc(C)nc(SCC(=O)Nc3nccs3)n2)cc1 14152993 QQBHQXWPADAQBQ-UHFFFAOYSA-N 372.475 3.648 0 40 FHAB COc1ccc([C@H](NS(=O)(=O)c2ccc(C(C)=O)cc2)C(C)C)cc1 14184008 CSMIKDNAGZIFJJ-LJQANCHMSA-N 361.463 3.573 0 40 FHAB Cc1c(C(=O)NCCCN2CCCC2=O)oc2c1ccc1ccccc12 14188577 AIXHEGREUXNPLG-UHFFFAOYSA-N 350.418 3.637 0 40 FHAB Cc1ccc(CNC(=O)c2cc3cc(Br)ccc3oc2=N)cc1 15951940 CTJZWWKTCKNZNB-UHFFFAOYSA-N 371.234 3.913 0 40 FHAB Cc1ccc(C)c(NC(=O)CCc2c(C)[nH]n(-c3ccc(F)cc3)c2=O)c1 16201723 AFXFJYZUNDBDLR-UHFFFAOYSA-N 367.424 3.801 0 40 FHAB O=S(=O)(O)c1ccc(-c2ccc(/C=C3/SC(=S)N=C3O)o2)cc1 16429420 SGXBQFWXLITYHC-KPKJPENVSA-N 367.429 3.522 0 40 FHAB CNc1snc(C)c1C(=O)OCC(=O)Nc1c(C)cc(C)cc1Cl 16974251 WHXXJSDTOFMAFT-UHFFFAOYSA-N 367.858 3.559 0 40 FHAB Cc1ncsc1-c1nnc(C2CCN(C(=O)c3ccc(F)cc3)CC2)o1 19563155 NDVJYOKSBRZEFO-UHFFFAOYSA-N 372.425 3.660 0 40 FHAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2cccc(OC)c2)c1 20105462 LWZYAWDHSHUNBJ-SFHVURJKSA-N 357.406 3.668 0 40 FHAB Cc1c(-c2nnc(Cc3ccccc3)o2)nnn1-c1ccccc1Cl 20724396 YPEHRERFINDAMC-UHFFFAOYSA-N 351.797 3.870 0 40 FHAB CN(C)[C@H](CNC(=O)c1ccc2ncsc2c1)c1ccccc1Cl 22619867 INQYUPMGMKSMTM-MRXNPFEDSA-N 359.882 3.982 0 40 FHAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c(C)c1 22959957 XGDKCGAJLKZJSI-UHFFFAOYSA-N 374.506 3.941 0 40 FHAB O=c1c(Cl)cc(C(F)(F)F)cn1Cc1nnc(-c2cccs2)o1 22983334 MTJRRKJOIDYKMQ-UHFFFAOYSA-N 361.732 3.680 0 40 FHAB Cc1cc(NC(=O)[C@@H](NCc2ccc(C)c(F)c2)c2ccccc2)no1 23994659 VAJMVCMXBIYCDW-IBGZPJMESA-N 353.397 3.900 0 40 FHAB CC(C)(C)c1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1 24207988 ZTKBAFSQTDIOMS-NRFANRHFSA-N 366.505 3.787 0 40 FHAB CC(C)Cn1c(SCc2nnsc2Cl)nnc1-c1ccco1 25735256 HQPOZAGRLYXSKE-UHFFFAOYSA-N 355.876 3.991 0 40 FHAB OC[C@@H](O)Cn1c(Cc2ccc(-c3ccccc3)cc2)nc2ccccc21 27696997 SZSKKHGGIBJGDV-FQEVSTJZSA-N 358.441 3.647 0 40 FHAB O=C(NCc1csc(-c2ccccc2)n1)c1cc(-c2ccco2)[nH]n1 28242815 DGECKHCXMGSFRT-UHFFFAOYSA-N 350.403 3.723 0 40 FHAB O=C1COc2ccc(NC(=O)c3cc(-c4cccc(Cl)c4)on3)cc2N1 30038218 CFOLKKSKUUNMRR-UHFFFAOYSA-N 369.764 3.578 0 40 FHAB COC(=O)c1ccc(CSc2nnc(COc3ccc(C)cc3)o2)o1 31621873 DMMFRQIBMBSFTI-UHFFFAOYSA-N 360.391 3.629 0 40 FHAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccc(N3CCOC3=O)c2)c1C 31720107 DIKGKOWXOUPMTD-UHFFFAOYSA-N 374.462 3.678 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCCCO2)c1nc2ccccc2[nH]1 33544164 IWUHGQBOUWUCKQ-LJQANCHMSA-N 365.433 3.851 0 40 FHAB O=C(Nc1ccccc1)NC1(C(=O)NCCc2ccccc2)CCCCC1 35291002 NBQVCFYNLDEYNG-UHFFFAOYSA-N 365.477 3.870 0 40 FHAB Cc1nc2ccccc2n1Cc1ccc(C(=O)NCc2cccs2)o1 35597046 YIRDBTSWFVYIJX-UHFFFAOYSA-N 351.431 3.978 0 40 FHAB CN1CCN(C(=O)Nc2cccc(OC(F)F)c2)[C@H](c2ccccc2)C1 40120513 MJZFLQYQCTVTNB-KRWDZBQOSA-N 361.392 3.809 0 40 FHAB COc1cc(C(=O)Nc2ccc3c(C)cc(C)nc3n2)cc(OC)c1OC 40818284 PWXKSFYAIJWCNX-UHFFFAOYSA-N 367.405 3.525 0 40 FHAB O=C(Nc1nn2c(-c3ccc(Cl)cc3)nnc2s1)c1ccccc1 41076523 PJXXBRUJPLMKBZ-UHFFFAOYSA-N 355.810 3.759 0 40 FHAB O=C1CN(C(=O)NC(c2ccccc2)c2ccccc2)c2ccccc2N1 44224943 FYBZAVUKVFXLPS-UHFFFAOYSA-N 357.413 3.944 0 40 FHAB CN(C)CCCNC(=O)c1cc2sccc2n1Cc1ccccc1F 44919862 OLKDWLMFNBSKFN-UHFFFAOYSA-N 359.470 3.572 0 40 FHAB O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1 45938032 RKNNSWVGEXIULT-UHFFFAOYSA-N 350.340 3.794 0 40 FHAB O=C(NC1CCC2(CC1)OCCO2)c1ccccc1Nc1ccccc1 47672837 XJMVQYUHPZESTQ-UHFFFAOYSA-N 352.434 3.846 0 40 FHAB Cc1nn(-c2ccc(C(=O)NCCc3ccc(Cl)cc3)cn2)c(C)c1C 49407414 AQGJSAOAYVTDOB-UHFFFAOYSA-N 368.868 3.818 0 40 FHAB Cc1ccc(-n2nnc(C(=O)NCc3ccc(F)c(Cl)c3)c2C)cc1C 51318248 AKLRWJXNPVLKDP-UHFFFAOYSA-N 372.831 3.915 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1C 53356941 KIVWCWHJKVBLPY-INIZCTEOSA-N 350.422 3.688 0 40 FHAB CC(=O)N1CCC(C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 57304221 CDSNIDFLPXYRLU-KRWDZBQOSA-N 369.292 3.915 0 40 FHAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(C)CC2)c(Cl)c1 57775731 SYONUYOOOHKCMZ-IBGZPJMESA-N 357.885 3.576 0 40 FHAB Cc1ccc(-c2n[nH]cc2CNCc2ccc(C(=O)N(C)C(C)C)cc2)o1 58232426 DEINURUSDFRCOF-UHFFFAOYSA-N 366.465 3.748 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2ccc(N3CCCCC3)nc2)cc1F 58377763 SKWDPJFFCZQMNY-UXBLZVDNSA-N 355.413 3.872 0 40 FHAB COc1ccccc1-c1cc(NC(=O)c2c(Cl)nc3ccccn23)[nH]n1 58377857 IXMRTNOEDYLBIH-UHFFFAOYSA-N 367.796 3.639 0 40 FHAB O=C(Nc1nc2c(s1)CCCC2)c1coc(NC(=O)c2cccs2)n1 62023058 GTGQHAYBOADQPU-UHFFFAOYSA-N 374.447 3.576 0 40 FHAB CCc1noc(-c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2)n1 64580051 AGDOWQVXGOBXGZ-UHFFFAOYSA-N 353.378 3.569 0 40 FHAB Cc1ccc(C(=O)N2CCC(NC(=O)c3nccc4ccccc34)CC2)cc1 66676549 TWCABHWASFMIIZ-UHFFFAOYSA-N 373.456 3.578 0 40 FHAB CCCCNC(=O)c1ccc(Oc2nccnc2N2CCCCC2)cc1 67323919 XTYYZCWPTOTHCM-UHFFFAOYSA-N 354.454 3.789 0 40 FHAB O=C(CSc1ccc(F)cc1)NC[C@@H](O)c1cccc2ccccc12 70636020 SCJGMJBKSAALBO-LJQANCHMSA-N 355.434 3.921 0 40 FHAB CCC[C@@](C)(CO)NC(=O)Nc1c(C)c(C2CC2)nn1-c1ccccc1 75094224 NYFSAATWCAUOLP-FQEVSTJZSA-N 356.470 3.731 0 40 FHAB CCc1ccc2nc(NC(=O)NC[C@H]3CSCCS3)sc2c1 75109230 ZZDJFFUZJHMPBL-NSHDSACASA-N 353.538 3.829 0 40 FHAB COc1ccc(C(=O)c2cn(-c3cccc(Cl)c3)nc2C(C)=O)cc1 75279397 FYENHZVPGAJCRF-UHFFFAOYSA-N 354.793 3.968 0 40 FHAB CCN(CC)[C@@H](CNC(=O)c1c(F)cc(F)cc1F)c1ccsc1 76022565 NPLZGUPCXVGEOY-HNNXBMFYSA-N 356.413 3.978 0 40 FHAB CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccccc2Br)C1 83552598 DGRVYHJMFCAMPT-CYBMUJFWSA-N 355.276 3.548 0 40 FHAB Clc1ccc(N2CCN(Cc3c(Cl)cccc3Cl)CC2)nn1 84339054 FAMQAHBVNXRLID-UHFFFAOYSA-N 357.672 3.759 0 40 FHAB O=C(N[C@H](CO)c1ccccc1)c1cc2cc(Br)ccc2o1 95456339 RSQOIMGDRYSERJ-CQSZACIVSA-N 360.207 3.659 0 40 FHAB Cc1ccc(NC(=O)c2cc3c(s2)CCN3C(=O)c2ccccc2)nc1 96264546 TZXUABQZHNENKI-UHFFFAOYSA-N 363.442 3.907 0 40 FHAB O=C1OC(c2ccccc2OC(F)F)=N/C1=C/C1=Cc2ccccc2OC1 96935669 WJXISOOOUYJCED-XNTDXEJSSA-N 369.323 3.951 0 40 FHAB Cc1n[nH]c(C)c1CCc1cc(O)n2ncc(-c3ccc(Cl)cc3)c2n1 100775966 IWQZINRGUYFDKA-UHFFFAOYSA-N 367.840 3.880 0 40 FHAB COc1ccc(C2(C(=O)Nc3ccc(OC)c(C)c3)CCOCC2)cc1 142223709 ZZCSNPFNCXXJAZ-UHFFFAOYSA-N 355.434 3.699 0 40 FHAB Cc1nc(C[C@H]2CCCN(C(=O)N[C@@H](C)c3ccc(C)c(F)c3)C2)no1 156775428 IMXFQCQIJMZZCT-DZGCQCFKSA-N 360.433 3.551 0 40 FHAB O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@]1(O)CCc2ccccc21 159217595 CNHBJEZQXJKDBC-LJQANCHMSA-N 363.379 3.588 0 40 FHAB CCc1ccccc1O[C@H](C)C(=O)N(C)Cc1nc(-c2cccs2)no1 219297382 GTTRBBLZZQXDJV-CYBMUJFWSA-N 371.462 3.786 0 40 FHAB Cc1cccc(OCCNC(=O)COc2cccc3c2CCCC3)c1C 223966300 JFGFQSFYIUEPEJ-UHFFFAOYSA-N 353.462 3.756 0 40 FHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc2c(c1)OCCO2 224079407 UKXRGDOBXJQFDD-CQSZACIVSA-N 353.418 3.743 0 40 FHAB COc1ccc(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1C 224300286 WVTFPCPHTAWHGV-UHFFFAOYSA-N 366.461 3.811 0 40 FHAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccco2)c1 224517883 LEAXAVJXPCPHEP-ZWKOTPCHSA-N 351.431 3.860 0 40 FHAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 225467403 UQELVLKCKGCQLC-INIZCTEOSA-N 372.896 3.824 0 40 FHAB Cc1ccccc1CSCCNS(=O)(=O)c1ccc(F)cc1C 225593084 UHMGHLUHXRYECW-UHFFFAOYSA-N 353.484 3.654 0 40 FHAB COc1ccc([C@H]2CCCCN(S(=O)(=O)CCC(F)(F)F)C2)cc1 225659115 DHXUPVXFZYRMSM-AWEZNQCLSA-N 365.417 3.547 0 40 FHAB COc1ccc(CC(=O)Nc2nnc(SCC(C)C)s2)cc1C 225667174 FASLCJJRXRTWGL-UHFFFAOYSA-N 351.497 3.784 0 40 FHAB CCOCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)c(C)n1 225900535 GRIOXWUZYFURDW-FOIQADDNSA-N 364.486 3.729 0 40 FHAB Cc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NCc2ccccc2)n1 225929000 CZVFLFHCFVPNIP-CQSZACIVSA-N 355.511 3.508 0 40 FHAB O=C(NC[C@](O)(c1ccoc1)c1cccs1)c1c(F)cccc1Cl 244970224 HONBNEAVDBSJHP-KRWDZBQOSA-N 365.813 3.800 0 40 FHAB CN(C)[C@H](CNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2)c1c(F)cccc1Cl 245284256 RADUOTONZMWTEX-GVAFMPQTSA-N 369.937 3.735 0 40 FHAB CC(C)c1noc([C@@H](C)N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)n1 246108288 MVSURSMHYZPCHT-GDBMZVCRSA-N 366.469 3.919 0 40 FHAB CC(=O)Nc1ccc(CN2C[C@@H]3CC[C@](O)(c4ccc(F)cc4)[C@H]3C2)cc1 247902110 BEHBBQOBFMKGLB-HSQYWUDLSA-N 368.452 3.514 0 40 FHAB Cc1cccnc1Nc1cc([C@@H]2CCCN(Cc3cncn3C)C2)ccn1 257217435 CYXLNWKSXJWMLP-GOSISDBHSA-N 362.481 3.642 0 40 FHAB COc1ncccc1C(=O)N1CCC(Cc2cccc3ncccc23)CC1 257262062 LJWNMPGMLVBYTA-UHFFFAOYSA-N 361.445 3.733 0 40 FHAB CC(C)N1CC[C@@]2(c3ccccc3)CCN(Cc3ccncc3)C(=O)C[C@H]12 306139892 UDMSCPZDEJHFCF-JTHBVZDNSA-N 363.505 3.625 0 40 FHAB CCN(CC)c1cc2[nH]c(O)nc2cc1NC(=O)[C@H](C)c1ccccc1 408526201 AHQRYYDXQVZACG-CYBMUJFWSA-N 352.438 3.857 0 40 FHAB COc1cc(C=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408544477 WJYUORAVBZLNKE-UHFFFAOYSA-N 353.418 3.713 0 40 FHAB Cn1cccc(C(=O)N[C@H](c2ccccc2)[C@@H]2CCCc3ccccc32)c1=O 505466614 BFZDTOWGWSKTCZ-IFMALSPDSA-N 372.468 3.977 0 40 FHAB O=C(Nc1cccc(-c2cnco2)c1)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F 527483329 KCLLUDDBTSQPSV-GBOPCIDUSA-N 352.312 3.636 0 40 FHAB Cc1cc(-c2nc(-c3n[nH]c4ccccc34)no2)nn1-c1ccc(F)cc1 544920986 OUJWVBCEZYGMAA-UHFFFAOYSA-N 360.352 3.913 0 40 FHAB CCN(Cc1nc(-c2ccc(C)c(OC)c2)no1)[C@H]1CCOC(C)(C)C1 585084858 BSBOMDXRIUTXJG-INIZCTEOSA-N 359.470 3.833 0 40 FHAB O=C(c1cc(Cl)ccc1O)N1CCc2ncc(-c3ccccc3)n2CC1 585111110 DYDDVPZCINZGII-UHFFFAOYSA-N 367.836 3.608 0 40 FHAB CO[C@H](C(=O)Nc1ccc(C)cc1-c1nc2ccccc2[nH]1)[C@@H]1CCOC1 622789558 SIBIDUPLXIWKIM-KUHUBIRLSA-N 365.433 3.528 0 40 FHAB Cc1cc2ccc(C(=O)N[C@H]3CCN(Cc4ccccc4)C[C@@H]3C)cn2c1 672967238 OGSKBGCZSRMVTC-AVRDEDQJSA-N 361.489 3.888 0 40 FHAB Cc1ccc(N2C[C@@]3(CCN(C(=O)[C@]4(C)CC=CCC4)C3)CC2=O)cc1 1565543300 IQACOMSXPLULPK-YADHBBJMSA-N 352.478 3.697 0 40 FHAB O=C(c1cc(-c2ccccc2)on1)N1CCC[C@@H](COc2ccncc2)C1 1775970418 LXOAEJKNQPCPPP-MRXNPFEDSA-N 363.417 3.668 0 40 FHAB Cc1cc(C)nc(Oc2ccc(NC(=O)c3ccccc3C(=O)O)cc2)n1 938859 JCSRFTJADKRLFX-UHFFFAOYSA-N 363.373 3.836 0 40 FHAB Cc1cc(C)nc(SCc2nc3sccn3c2Br)n1 1254895 WGUBABIKMOPRKV-UHFFFAOYSA-N 355.286 3.857 0 40 FHAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cnccn1 2389112 IORGMAFCZNUOLI-GOSISDBHSA-N 352.777 3.911 0 40 FHAB O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1cc(=O)c2ccccc2o1 2641609 OWPSHHSRHUWNSV-UHFFFAOYSA-N 373.777 3.810 0 40 FHAB COc1ccc2cc(S(=O)(=O)c3ccc(C(C)C)cc3)c(=O)oc2c1 2686665 WQHUVMDGPWWBRV-UHFFFAOYSA-N 358.415 3.758 0 40 FHAB O=S(=O)(Cc1ccc(Cl)cc1)c1snnc1-c1ccccc1 3118869 QQAYLDSPVMCEDG-UHFFFAOYSA-N 350.852 3.832 0 40 FHAB COC(=O)c1ccc(COC(=O)CCC(=O)c2ccc(Cl)cc2)cc1 3250063 JJBLGWDYAGFGOP-UHFFFAOYSA-N 360.793 3.833 0 40 FHAB O=C(COC(=O)c1cccc(Br)c1)NCCC1=CCCCC1 3278582 QVKFTTMQKXFPIV-UHFFFAOYSA-N 366.255 3.613 0 40 FHAB CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 3328534 RLPODBUNAWGRIS-UHFFFAOYSA-N 374.245 3.971 0 40 FHAB COc1ccc(CCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 3552164 KWDPLSXOAYYBPD-UHFFFAOYSA-N 352.478 3.593 0 40 FHAB COc1ccc(C(=O)N2CCN=C2SCc2ccccc2F)c(OC)c1 4120521 ZNIRTFGTXAFQIN-UHFFFAOYSA-N 374.437 3.588 0 40 FHAB CCN1C(=O)c2cccc3c(NC(=O)c4ccc(C(=O)OC)cc4)ccc1c23 4278856 NZJFWJGMSOJRQY-UHFFFAOYSA-N 374.396 3.859 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1 4286461 LBUGNNFKPYINGN-OAHLLOKOSA-N 350.418 3.979 0 40 FHAB Cc1ccc2c(CN3C(=O)NC4(CCCCCC4)C3=O)cc(=O)oc2c1C 4469473 GBKGBGAFVZELQX-UHFFFAOYSA-N 368.433 3.555 0 40 FHAB Cn1c(Cc2cccs2)nnc1SCc1nnc(-c2ccccc2)o1 4790767 ULGPKQIZYLGLQO-UHFFFAOYSA-N 369.475 3.810 0 40 FHAB CC(C)(C)C(=O)NC1CCN(C(=S)Nc2ccc(Cl)cc2)CC1 4888648 KWMICECVXWCFBG-UHFFFAOYSA-N 353.919 3.664 0 40 FHAB Cc1cc(-n2c(C)cc(C(=O)CSC(=S)N3CCCC3)c2C)no1 5289163 GVVBDZXJNLFQKQ-UHFFFAOYSA-N 363.508 3.687 0 40 FHAB CCc1ccc([C@@H](NC(=O)c2nn(C)c(=O)c3ccccc23)C(C)C)cc1 5407543 QGZWMHQFEMGAQV-IBGZPJMESA-N 363.461 3.623 0 40 FHAB O=C(Cc1ccc(F)cc1)Nc1cccc(I)c1 5443543 FPGMFMFPWXZELC-UHFFFAOYSA-N 355.150 3.612 0 40 FHAB Cc1nc(Cc2nnc(S[C@H](C)C(=O)Nc3ccccc3)o2)cs1 5833424 ZRGYGENQXAPAIX-SNVBAGLBSA-N 360.464 3.545 0 40 FHAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(C)ccc3C)n2)cc1 6154669 ALLFOHDBCDGEOZ-UHFFFAOYSA-N 368.462 3.828 0 40 FHAB Cn1c(NC(=O)c2ccccc2)c(-c2ccccn2)c(=O)c2ccccc21 6211756 LVDSSVVYHUYOJL-UHFFFAOYSA-N 355.397 3.853 0 40 FHAB O=C(Nc1ccccc1F)c1ccc2c(=O)n3c(nc2c1)CCCCC3 6724274 YYYYTXHSLHXOTK-UHFFFAOYSA-N 351.381 3.514 0 40 FHAB COC(=O)c1ccc(OC(=O)c2ccc(COc3ccccc3)o2)cc1 6948724 IQNUEUINUTVVOG-UHFFFAOYSA-N 352.342 3.864 0 40 FHAB CC(=O)c1ccccc1NC(=O)COc1ccc(F)cc1Br 7032606 FXBYEOOTAOWZDU-UHFFFAOYSA-N 366.186 3.808 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ncc3ccccn23)c1C 7985752 PVRDYFYGAWLOQX-ZDUSSCGKSA-N 371.462 3.819 0 40 FHAB COc1ccc(CNC(=O)CCC(=O)c2ccc(C)c(C)c2)cc1OC 8134368 YJJAYBSCTWFGSC-UHFFFAOYSA-N 355.434 3.600 0 40 FHAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)c1cc(Cl)ccc1Cl 8183965 KALQOCIGVKLKHO-UHFFFAOYSA-N 369.248 3.821 0 40 FHAB Cc1ccc2nc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)sc2c1 8216482 PLSJFSHVBXQZNM-CYBMUJFWSA-N 351.431 3.596 0 40 FHAB COc1cc(CC(=O)N(Cc2ccccc2F)C2CC2)cc(OC)c1OC 9155748 HQFUEXZGUWHHDP-UHFFFAOYSA-N 373.424 3.585 0 40 FHAB O=C(O)c1cc(-n2c(S)nnc2-c2cc(F)ccc2F)ccc1Cl 9340129 VIQCNZJHDGDTDD-UHFFFAOYSA-N 367.764 3.853 0 40 FHAB O=C(NCCC1=CCCCC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 9915146 INMKNNIXTIKIAD-UHFFFAOYSA-N 356.344 3.530 0 40 FHAB O=C(NCCc1cn2ccccc2n1)c1ccc(OCc2ccccc2)cc1 10355892 SZABXFVJLVFIIG-UHFFFAOYSA-N 371.440 3.886 0 40 FHAB Cc1cnc(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)cn1 11286007 JEJMVBAJHAIQKW-UHFFFAOYSA-N 351.435 3.595 0 40 FHAB CN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc(Cl)c4)ccc1c23 11691581 QCHVMGNJUSYVJS-UHFFFAOYSA-N 372.833 3.884 0 40 FHAB CCCc1n[nH]c(SCC(=O)N(CC)c2nc3ccccc3s2)n1 11808172 HYSLIBBFTBTFBE-UHFFFAOYSA-N 361.496 3.512 0 40 FHAB Cc1cnc(-c2nc(C3CCN(Cc4cccc(Cl)c4)CC3)no2)cn1 12337367 RTJDKQAHKUCELX-UHFFFAOYSA-N 369.856 3.868 0 40 FHAB Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)O)c(C)c1 12627861 NQKYYTOIPXZUSM-UHFFFAOYSA-N 356.447 3.909 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)NCc1cccc(NC(=O)C2CC2)c1 12890165 IFDVRISLCWEZRZ-UHFFFAOYSA-N 361.445 3.765 0 40 FHAB CC(=O)c1ccc(NC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc1 12904531 AMBUNKOMPNVNFX-FQEVSTJZSA-N 352.434 3.867 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)c(Cl)c1 12912707 YROWNTAPJWHDHA-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB CCOc1cc(C(=O)Nc2cccc(C(=O)O)c2)cc(OCC)c1OCC 13094475 HGEZSJYDWIQFER-UHFFFAOYSA-N 373.405 3.833 0 40 FHAB CCCOc1ccccc1OCC(=O)Nc1ccc2c(C)cc(=O)oc2c1 14115493 SFDAWNFWKGYSGD-UHFFFAOYSA-N 367.401 3.908 0 40 FHAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCc2ccc(N3CCCC3=O)cc2)o1 14139737 SOQOEORWIBFXSZ-DNVCBOLYSA-N 366.461 3.779 0 40 FHAB COc1ccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1OC 14232889 MBQMVWHHZBEVGA-GOSISDBHSA-N 366.417 3.607 0 40 FHAB CCOc1ccc(N2C[C@@H](C(=O)Oc3ccccc3Cl)CC2=O)cc1 14465268 XFCPNIJZVXPFNW-ZDUSSCGKSA-N 359.809 3.697 0 40 FHAB Oc1nc(Nc2ccc(Br)cc2)nnc1Cc1ccccc1 16806818 KJUKQFIJAJRPJE-UHFFFAOYSA-N 357.211 3.674 0 40 FHAB Cc1nccc(-c2cccc(-c3noc(CN4C[C@@H](C)C[C@@H](C)C4)n3)c2)n1 19287580 NWFZKQYGFRSRAS-GASCZTMLSA-N 363.465 3.980 0 40 FHAB CCCc1cc(C(=O)N2CCC[C@H](c3nnc(-c4ccsc4)o3)C2)no1 19525320 CJRHXIBMCLJUNO-LBPRGKRZSA-N 372.450 3.758 0 40 FHAB CCOc1cc2c(cc1CN[C@@H]1CCC[C@H]1Cc1cc(C)no1)OCO2 19532561 SPKPJKXBALXQGD-WMLDXEAASA-N 358.438 3.611 0 40 FHAB CN(C)C1(CNC(=O)c2ccc3c(c2)nnn3C2CCCCC2)CCCC1 19659412 XKDPWROWSMZQEJ-UHFFFAOYSA-N 369.513 3.541 0 40 FHAB O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1ccccc1)CN2Cc1ccc(F)c(F)c1 19712591 QATPBMWKUODAHM-WEYGHZABSA-N 370.443 3.992 0 40 FHAB Cc1nc(C)c(C(=O)N2CCCC[C@@H]2CCNC(=O)c2ccccc2)s1 19748987 ZPGPTYXNCVDKBN-QGZVFWFLSA-N 371.506 3.575 0 40 FHAB COc1ccc(CC(=O)N2CCCC[C@@H]2CCN2CCCCCC2)cc1 21170942 PDCRVGCUNMFCMT-HXUWFJFHSA-N 358.526 3.885 0 40 FHAB COc1cc(Cl)c(C)cc1NCC(=O)NCCc1ccc(F)cc1 21890701 DAMJWZHJPUPSMI-UHFFFAOYSA-N 350.821 3.567 0 40 FHAB O=C(COc1ccc(Cl)cc1)NCc1ccc(OCC(F)(F)F)cc1 22418020 FPJTUSFRFMUPGH-UHFFFAOYSA-N 373.758 3.976 0 40 FHAB COc1cccc(CN(C)Cc2cc(=O)oc3cc(O)c(Cl)cc23)c1 23731675 NETWDKFYTHIDNQ-UHFFFAOYSA-N 359.809 3.793 0 40 FHAB CCOc1ccc(CN(C)C(=O)CCc2nc(-c3ccsc3)no2)cc1 24274735 GARINJFESZNXOH-UHFFFAOYSA-N 371.462 3.788 0 40 FHAB O=C(CCSc1nnc(NC2CC2)s1)Nc1ccc2c(c1)CCC2 24757995 OLRKLRMCJOJEEU-UHFFFAOYSA-N 360.508 3.722 0 40 FHAB Cc1cc(=O)n2nc(N[C@@H](C)c3ccc(Cl)cc3Cl)sc2n1 24981055 JCMNQUUOERBIQS-QMMMGPOBSA-N 355.250 3.939 0 40 FHAB COC(=O)c1ccc2c(c1)CCN2C(=O)c1csc(-c2ccsc2)n1 25183741 WTRDQEJVTYBEOU-UHFFFAOYSA-N 370.455 3.861 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3ccc(-n4ccc(C)n4)cc3)n[nH]2)cc1 28239643 MZRMRPYCPTVOTP-UHFFFAOYSA-N 373.416 3.832 0 40 FHAB CCN(CC)[C@H]1NC(n2nc(C)cc2C)=Nc2sc3c(c21)CCCC3 28286588 CZCNXNWNRPYONR-QGZVFWFLSA-N 357.527 3.920 0 40 FHAB CCN(CCCNC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccccc1 29955180 LRESPLBVBDALPK-WYMLVPIESA-N 368.477 3.750 0 40 FHAB NC(=O)Cc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 32046679 VJRRGHDCEBKZGG-UHFFFAOYSA-N 358.397 3.591 0 40 FHAB O=S(=O)(Nc1nn(Cc2ccc(F)cc2)cc1Cl)c1cccs1 32609665 RGWHLZZTZJOCOY-UHFFFAOYSA-N 371.846 3.586 0 40 FHAB CC(=O)c1ccc(C(=O)O[C@H](C(=O)N2CCCCC2)c2ccccc2)s1 32776865 BTYFJOMUCHWWRV-SFHVURJKSA-N 371.458 3.861 0 40 FHAB O=C(COc1ccc(F)cc1Cl)NCc1ccc(-c2ccn[nH]2)cc1 32933050 JEAWGTIKMGDNQZ-UHFFFAOYSA-N 359.788 3.564 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)cc1C 33026479 HYQVEDHQCCBMNL-KSSFIOAISA-N 358.463 3.699 0 40 FHAB CCOC(=O)C(=Cc1ccc(OC)c(OC2CCCC2)c1)C(=O)OCC 38337495 GTDAGIOYNROACG-UHFFFAOYSA-N 362.422 3.526 0 40 FHAB C[C@H](OC(=O)c1ccc(-c2ccccc2F)o1)C(=O)NCc1ccco1 39973612 BCDUSEXWLVDKOB-LBPRGKRZSA-N 357.337 3.540 0 40 FHAB CC(C)[C@H](NC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1cccs1 40024006 LEEUYKMAUDKOGP-BZNIZROVSA-N 359.451 3.986 0 40 FHAB O=C(Cc1cccc2cccnc12)N1CCO[C@H](c2ccc(F)cc2)C1 40060449 OOJYGEZBRHAUCY-IBGZPJMESA-N 350.393 3.517 0 40 FHAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1cccc(N2CCCC2)c1 41371848 NGUWJCIFHWNIGR-UHFFFAOYSA-N 350.871 3.882 0 40 FHAB O=C(c1ccc(Br)cc1)c1ccc(CN2CCOCC2)cc1 43210839 YGLRGKKCMKQBIC-UHFFFAOYSA-N 360.251 3.512 0 40 FHAB CC(=O)Nc1nc2ccc(NC(=O)c3cn(C)c4ccccc34)cc2s1 43270372 XLPSNNQFPYUJTD-UHFFFAOYSA-N 364.430 3.999 0 40 FHAB COc1ccc(C(N)=O)cc1NC(=O)N[C@H](c1cccs1)C1CCCC1 45645445 QVYQLIOPDNNFSH-KRWDZBQOSA-N 373.478 3.909 0 40 FHAB Cc1nc(SCc2nc(-c3ccccc3)oc2C)sc1CC(N)=O 45851031 AHVIOLZFMBDZQO-UHFFFAOYSA-N 359.476 3.735 0 40 FHAB Cc1ccc(C(=O)C2CCN(C(=O)c3n[nH]c4ccccc34)CC2)c(C)c1 48273044 GRBRZNSCEGXLBI-UHFFFAOYSA-N 361.445 3.915 0 40 FHAB CCC(CC)[C@@H](NCc1cnc(N2CCOCC2)nc1)c1ccccc1 48302019 ZHLGSTICBLSHLO-HXUWFJFHSA-N 354.498 3.580 0 40 FHAB Cc1cc(C)cc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)c1 52537408 KYDOLRFKHXJXAD-UHFFFAOYSA-N 357.885 3.718 0 40 FHAB COC(=O)c1c(C)nsc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1 56321306 BSKICBMMAVCZCG-ZDUSSCGKSA-N 363.414 3.746 0 40 FHAB O=C(CCn1ccnc1)Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1 58222697 KYYLZNAKLUBKHG-UHFFFAOYSA-N 368.824 3.818 0 40 FHAB COc1ccc(CCC(=O)N(C)c2cc(-c3ccccc3)[nH]n2)cc1OC 58428681 KTSOAXXJUOBTLS-UHFFFAOYSA-N 365.433 3.690 0 40 FHAB Cc1cc2nc(NCCCc3nc(C(C)C)no3)c3ccccc3n2n1 65512021 XJBIFDJIIHTRBW-UHFFFAOYSA-N 350.426 3.742 0 40 FHAB CC(=O)c1c[nH]c(C(=O)Nc2nnc(-c3ccc(C(C)(C)C)cc3)[nH]2)c1 70720762 MCHRGKVSFDOPIZ-UHFFFAOYSA-N 351.410 3.552 0 40 FHAB O=C(O)c1ccc([C@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 71283370 ZEIVBKVCZMTDOM-OAHLLOKOSA-N 369.421 3.894 0 40 FHAB Cc1ccc(-c2nc(C[S@](=O)[C@@H](C)C(=O)NC(C)(C)C)cs2)cc1 71801236 YIMHNESEIZSSNA-RKNYENMMSA-N 364.536 3.670 0 40 FHAB CCN(CC)c1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72212845 WPGMKZLITHBIDD-IBGZPJMESA-N 373.522 3.762 0 40 FHAB O=C(CC1CCCC1)N1CCCC[C@@H]1c1ccnc(Nc2cncnc2)n1 72377979 IWHCTRRPOPAYAU-GOSISDBHSA-N 366.469 3.644 0 40 FHAB COc1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccco2)cc1OC 72404220 NOPTVZKPWVTTBY-AWEZNQCLSA-N 353.378 3.665 0 40 FHAB C[C@@H](NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1)c1ccc(F)cc1 74193200 OLYVJHLMYWWJED-RDTXWAMCSA-N 355.413 3.699 0 40 FHAB CN(C)[C@H](CNC(=O)c1cc2ccccc2o1)c1cn(C)c2ccccc12 75149174 IFRUZKKJWPPKRE-LJQANCHMSA-N 361.445 3.957 0 40 FHAB Cc1cc(N)nc(SCC[S@](=O)c2cc(Cl)ccc2Cl)n1 77222937 GFCVYJJIKPURFX-OAQYLSRUSA-N 362.307 3.574 0 40 FHAB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccccc1C(=O)NC1CCCC1 77385969 SJBRHKTXBPWJPN-IYBDPMFKSA-N 358.482 3.527 0 40 FHAB C[C@H](NCC1(c2ccccc2)CC1)[C@H](c1ccccc1)N1CCOCC1 79015269 LBNOIYPUMFXBDE-SIKLNZKXSA-N 350.506 3.770 0 40 FHAB Cc1csc(C2(NC(=O)[C@H]3CSc4ccccc4O3)CCCC2)n1 84268192 JOSIIJXTGCRFKZ-CQSZACIVSA-N 360.504 3.890 0 40 FHAB CC(C)Nc1ccc(C(=O)NCCc2coc(-c3ccccc3)n2)cn1 84388020 RTKCZVJUELZEJQ-UHFFFAOYSA-N 350.422 3.529 0 40 FHAB CCn1nc(C)c(CCC(=O)N2CCc3c([nH]c4ccccc34)C2)c1C 85879999 XYDOSULRSMGCCY-UHFFFAOYSA-N 350.466 3.519 0 40 FHAB biogenic CC(C)[C@@H](C)NC(=O)C1CCN(Cc2ccc3c(c2)CC(C)(C)O3)CC1 92754759 NCZCNJIGZXUIEM-MRXNPFEDSA-N 358.526 3.773 0 40 FHAB O=C(O)c1ccc(CCNC(=O)C2(c3cccc(Cl)c3)CCC2)cc1 95350740 VMRBEFFOTNSMFN-UHFFFAOYSA-N 357.837 3.819 0 40 FHAB COc1ccccc1NCC(=O)NC1(c2ccc(Cl)cc2)CCOCC1 95959008 ODOQSMJSTAOTOY-UHFFFAOYSA-N 374.868 3.583 0 40 FHAB CCN1CCN([C@@H](C)CNc2ccc3ccc(Cl)c(Cl)c3n2)CC1 95986615 GNYOCVOWJLTFBO-ZDUSSCGKSA-N 367.324 3.980 0 40 FHAB Cc1ccc(CN2C[C@@H](C(=O)Nc3ccccc3)C3(CCOCC3)C2)s1 96052256 NSGYEQMYCRFHSG-IBGZPJMESA-N 370.518 3.924 0 40 FHAB O=C(c1cnc(-c2noc3cc(N4CCCC4)ccc23)s1)N1CCCC1 96154553 AVCYPBOUKMQUBM-UHFFFAOYSA-N 368.462 3.788 0 40 FHAB COc1cccc([C@H](CNC(=O)/C=C/c2ccc(SC)cc2)OC)c1 96390149 WXLJRYHESONSOZ-DLENHJPASA-N 357.475 3.934 0 40 FHAB Cc1nc(NC(=O)/C=C/c2ccccc2)ccc1I 96957125 NXIRYYRACLBVHJ-JXMROGBWSA-N 364.186 3.647 0 40 FHAB CSc1nnc(C)c(/C=C/NOCc2ccc(Cl)cc2Cl)n1 100381406 HLLNUFBMUQUSDC-AATRIKPKSA-N 357.266 3.901 0 40 FHAB Cc1cc(NC(=O)[C@H](OC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c2ccccc2)no1 104895600 FSOVNEHKANYUER-KMANFZQXSA-N 354.406 3.642 0 40 FHAB Cc1cnn([C@H]2CCCN(C(=O)c3cnn(-c4ccc(Cl)cc4)c3)C2)c1 109684590 DZYCTSJNTFLRJO-SFHVURJKSA-N 369.856 3.508 0 40 FHAB O=C(NC[C@@H]1CCCN1c1nccs1)c1ccccc1C(F)(F)F 206778139 YVXSLSOJFHYNDW-NSHDSACASA-N 355.385 3.561 0 40 FHAB O=S(=O)(CCC(F)(F)F)N1CCS[C@@H](c2cccs2)CC1 219558902 ISALUMVBPKRDEK-LLVKDONJSA-N 359.460 3.510 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)Nc1nnc(SCC(C)C)s1 222608117 GNVZDBIHFKGUPQ-LLVKDONJSA-N 367.496 3.701 0 40 FHAB COc1cccc(O[C@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)c1 224163873 FTHJCXJWRBJLGS-CQSZACIVSA-N 363.841 3.620 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1F 224180841 GPQTWNTUQVXNGB-HXUWFJFHSA-N 370.468 3.620 0 40 FHAB COc1ccc(OCCNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 224425707 AQQFHJLJEDPTIJ-KRWDZBQOSA-N 357.450 3.583 0 40 FHAB CCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC(C)C 224765698 RKYNHTXYSHCWMR-HXUWFJFHSA-N 352.478 3.561 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)NCc2ccccc2CN2CCCC2)cc1C 224791015 JJTQNZYMJHKHSI-LJQANCHMSA-N 366.505 3.983 0 40 FHAB COc1cc(C)c(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)cc1C 225140286 PSFATUDQCRPTEA-UHFFFAOYSA-N 353.871 3.786 0 40 FHAB FC(F)(F)c1cc(NC(=S)NCCCn2ccnc2)ccc1Cl 225520766 CILYDRWLVBMPQO-UHFFFAOYSA-N 362.808 3.932 0 40 FHAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CC(=O)Nc2ccccc21 225560393 DEBRIMWELQXZMI-FQEVSTJZSA-N 364.445 3.708 0 40 FHAB O=S(=O)(NCc1ccnc(-c2cccs2)c1)c1ccccc1Cl 225652968 MNDGRLKXYCLKJL-UHFFFAOYSA-N 364.879 3.942 0 40 FHAB CCCNC(=S)Nc1nc(Oc2ccccc2)cc(C(F)(F)F)n1 225887114 ABRJDLZPPCGQML-UHFFFAOYSA-N 356.373 3.984 0 40 FHAB C[C@H]1CCCN(c2cc(Cl)nc(NC(=S)NC3CCCC3)n2)C1 226007240 DCUYGEKRDHXOGU-NSHDSACASA-N 353.923 3.595 0 40 FHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@@H]3C[C@H]3C)cc2N1 257207677 BISQCRGCBIDFLI-MYYUVRNCSA-N 370.419 3.900 0 40 FHAB CCN1C(=O)CC[C@@H](C(=O)N2CCC(F)(F)CC2)[C@@H]1c1ccc(C)cc1 257231634 GHOWCWJYDFLUCJ-AEFFLSMTSA-N 364.436 3.552 0 40 FHAB COc1ccc(Cc2cnc([C@H]3CCCN3c3cc(C)ncn3)o2)cc1 257328798 XHEAZRKZFAMJQS-GOSISDBHSA-N 350.422 3.714 0 40 FHAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 260763809 GOJJVEIVFIHWQA-FPKLCTGRSA-N 364.445 3.664 0 40 FHAB CCCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3F)cc2)C1=O 409221614 SYROIXPSYFJVSV-LDADJPATSA-N 354.381 3.707 0 40 FHAB CC(C)n1cc(CN2Cc3cccn3C[C@H](CCOCC3CC3)C2)cn1 585095318 PMGHUFCRORUSAD-LJQANCHMSA-N 356.514 3.714 0 40 FHAB O=C1CC[C@]2(CCCN(Cc3cccnc3)CC2)N1Cc1ccc(F)cc1 585100553 NHKPEQDTSBTUED-QFIPXVFZSA-N 367.468 3.768 0 40 FHAB Cc1cc(-n2cccn2)ccc1CNc1nc(C2CCOCC2)ns1 1616030758 FLGIKFHGYIBCMF-UHFFFAOYSA-N 355.467 3.538 0 40 FHAB Cc1ccccc1NC(=O)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1F 1343748 GZXDBVMRNCJHPP-QGZVFWFLSA-N 359.376 3.908 0 40 FHAB O=C(COc1ncnc2sccc12)N1CCC(Cc2ccccc2)CC1 2619245 SSBZVWOGZSILST-UHFFFAOYSA-N 367.474 3.551 0 40 FHAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 2765937 UEKYJAMFVJOBET-NEPJUHHUSA-N 367.467 3.878 0 40 FHAB COc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 3060570 ZTGUSHMMBJFDRS-SNVBAGLBSA-N 367.232 3.818 0 40 FHAB CCCCCOC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1 4188351 UXYUROSYYKWISY-DACLVMHWSA-N 355.434 3.569 0 40 FHAB Cc1cccc(NC(=O)CSc2ccc(-c3cccnc3)nn2)c1C 4391895 NOJHWZOOIAGLLJ-UHFFFAOYSA-N 350.447 3.886 0 40 FHAB Cc1ccc(S(=O)(=O)CC(=O)Nc2nc3c(C)cc(C)cc3s2)cc1 4496122 LJHRMIOPBWEPRT-UHFFFAOYSA-N 374.487 3.634 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4731795 VTXGENCNNVFJNF-CYBMUJFWSA-N 358.825 3.649 0 40 FHAB COc1cc(CO)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 4741056 KHDKZDZCAOYBCK-UHFFFAOYSA-N 370.232 3.820 0 40 FHAB O=C(NCc1ccccc1Cl)C(=O)NCC1(c2ccccc2)CCCC1 5068875 VOTWROUALLSRFL-UHFFFAOYSA-N 370.880 3.584 0 40 FHAB O=C(Nc1ccccc1)c1ccc(Cn2cnc3ccccc3c2=O)cc1 5466240 WNJOKFXLHAUTGW-UHFFFAOYSA-N 355.397 3.697 0 40 FHAB O=C(COC(=O)COc1ccc2ccccc2c1)NC1CCCCCC1 5990867 WGEWAWKXMZUGMQ-UHFFFAOYSA-N 355.434 3.601 0 40 FHAB Cc1ccc(OCCCC(=O)Nc2ccccc2N2CCOCC2)cc1 6248605 VQBMXIVVZRESHA-UHFFFAOYSA-N 354.450 3.629 0 40 FHAB CCCOc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1Br 6324354 GWUCXUAYRWGSNG-WQLSENKSSA-N 356.241 3.904 0 40 FHAB O=C(CSc1nccn(-c2ccccc2)c1=O)c1ccc(Cl)cc1 6915138 DLRXVEBITPACPT-UHFFFAOYSA-N 356.834 3.861 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1NC(C)=O 7055504 SQSPBCHTAPTSBT-UHFFFAOYSA-N 362.451 3.578 0 40 FHAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2ccc(C)cc2)c1 7717061 CYCDJQZALCBJOV-IBGZPJMESA-N 354.450 3.788 0 40 FHAB COc1cccc(CN(C)c2nc3cc(C)nn3c3ccccc23)c1OC 7737976 STBWUPFJZUUZJR-UHFFFAOYSA-N 362.433 3.845 0 40 FHAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 7928294 INKDTJKBAGCVJU-ZDUSSCGKSA-N 358.825 3.730 0 40 FHAB CCCOc1ccc(/C=C2\N=C(c3ccc(OC)c(OC)c3)OC2=O)cc1 7973520 HBIIPPDBTSHANM-ATVHPVEESA-N 367.401 3.837 0 40 FHAB O=C(CCc1ccc(-c2ccccc2)o1)N1CCN(c2ccccn2)CC1 7982883 XIFFIVWXGCRROP-UHFFFAOYSA-N 361.445 3.623 0 40 FHAB c1ccc(-c2cc3c(Sc4nnnn4C4CC4)ncnc3s2)cc1 8075652 OBCQKMJBNVIAMX-UHFFFAOYSA-N 352.448 3.831 0 40 FHAB Cc1ccccc1C(=O)N[C@H](C(=O)NCc1ccccc1Cl)C(C)C 8076806 KGHLWQQYXXNMLM-SFHVURJKSA-N 358.869 3.719 0 40 FHAB O=c1oc2ccccc2n1CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 8232245 QAROPXFMGSJAHO-INIZCTEOSA-N 366.417 3.550 0 40 FHAB Cc1[nH]c(SCc2nc3ccsc3c(=O)[nH]2)nc1Cc1ccccc1 8569047 PLSGBXPJQAYCKI-UHFFFAOYSA-N 368.487 3.899 0 40 FHAB COc1ccc2nc(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)[nH]c2c1 8719863 HYPCXBDBFXWAAR-SNVBAGLBSA-N 352.419 3.661 0 40 FHAB CCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(C)cc3)ccc21 8840608 IVHKSUMLZQXFPR-UHFFFAOYSA-N 372.490 3.626 0 40 FHAB in-vitro Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(C(C)C)cc3)CC2=O)cc1 9235909 DZTMLZILVFSGSX-IBGZPJMESA-N 350.462 3.788 0 40 FHAB C[C@@H]1Sc2ccc(C(=O)Nc3ccc4c(c3)OCCCO4)cc2NC1=O 9364917 YMFPHWCOVFOSOF-NSHDSACASA-N 370.430 3.533 0 40 FHAB Cc1ccc(-c2nnc3sc(CCCc4ccccc4)nn3c2=O)cc1 9531454 LEGVDEFDEVUZOF-UHFFFAOYSA-N 362.458 3.697 0 40 FHAB COc1ccc(/C=C/C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1OC 9899803 MOYMFOOGLXPOFI-CSKARUKUSA-N 362.429 3.783 0 40 FHAB O=C(OCc1nc(-c2ccc(F)cc2)no1)[C@@H]1Cc2ccccc2S1 10909462 PHPOICMNZBKERT-HNNXBMFYSA-N 356.378 3.636 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)CN2CCC[C@@H](C(F)(F)F)C2)c1 11218640 YBEKOCLVOPGZDM-CYBMUJFWSA-N 374.403 3.697 0 40 FHAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)C4CC4)C3)cc2n1 12220420 QNQARYXDVTVICQ-GFCCVEGCSA-N 366.387 3.597 0 40 FHAB O=C(Cc1cnc(-c2ccccc2F)s1)NCc1ccc2c(c1)OCO2 12390345 PVNWBPXTRYHZSF-UHFFFAOYSA-N 370.405 3.537 0 40 FHAB CN(CCOc1ccccc1Cl)C(=O)c1cc(Br)c[nH]1 13007808 GTKGYQCSJXXLRX-UHFFFAOYSA-N 357.635 3.582 0 40 FHAB CCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccccc1C 13479925 IGSQROZIJFDKFS-UHFFFAOYSA-N 364.445 3.898 0 40 FHAB CN1C(=O)[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)CCc2ccccc21 13587888 HRRVJTJSCYCYMB-MRXNPFEDSA-N 367.836 3.529 0 40 FHAB COc1cc2c(cc1NC(=O)[C@@H](C)N1CCO[C@@H](C)C1)oc1ccccc12 14139332 WEHANCTXNQPQDZ-UONOGXRCSA-N 368.433 3.642 0 40 FHAB Cc1cccc(C)c1NC(=O)CNC(=O)CCSc1ccccc1F 14141371 UYBWLCYAYWOJNV-UHFFFAOYSA-N 360.454 3.680 0 40 FHAB Cc1ccccc1-c1noc(CSc2nc3ccsc3c(=O)[nH]2)n1 16842192 VLEAPKWNAGFCTK-UHFFFAOYSA-N 356.432 3.635 0 40 FHAB Cc1cnc(N2C(=O)CS[C@@H]2c2ccc(Br)cc2)s1 17198039 OWAMVMDWHNIZFF-GFCCVEGCSA-N 355.282 3.993 0 40 FHAB Cc1cccc(CC(=O)N2CCC[C@@H]2c2n[nH]cc2-c2onc(C)c2C)c1 19234691 KOHXDDMYFPQSLB-GOSISDBHSA-N 364.449 3.896 0 40 FHAB COc1cc2ccccc2cc1C(=O)N1CCN(Cc2ccccc2)CC1 20457270 KVYPLEJFSPFQOX-UHFFFAOYSA-N 360.457 3.806 0 40 FHAB CCc1nn2c(=O)cc(CNc3cc(Cl)cc(Cl)c3)nc2s1 21698386 SFHFJIFVQLYJOO-UHFFFAOYSA-N 355.250 3.632 0 40 FHAB O=C(CN1CCOCC1)Nc1ccccc1Sc1ccc(Cl)cc1 21822381 GAEDELVKKHGNDT-UHFFFAOYSA-N 362.882 3.762 0 40 FHAB CCN1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(C)cc2)CC1 22460099 FYSSMAPBTFFJTD-XLIONFOSSA-N 371.550 3.554 0 40 FHAB CC1CCN(CCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)CC1 22533376 ZLVPZGHUJVJLPS-UHFFFAOYSA-N 371.569 3.770 0 40 FHAB O=C(Nc1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1 23172610 MDQRTFJCPSJLGE-UHFFFAOYSA-N 358.444 3.801 0 40 FHAB CCc1ccccc1NC(=O)CSc1nnc(NCC(C)C)s1 23226945 BJTQLWBIRNVDHE-UHFFFAOYSA-N 350.513 3.899 0 40 FHAB COc1ccccc1[C@H](C)N(C)CC(=O)NCCc1cccc(Cl)c1 26334188 ZGARDWPORBHKOZ-HNNXBMFYSA-N 360.885 3.700 0 40 FHAB NC(=S)NNc1nc2ccc(Oc3ccc(Cl)cc3)cc2s1 26508269 GMIMSYLIYFKWJB-UHFFFAOYSA-N 350.856 3.902 0 40 FHAB O=C(CSc1nc2cc(F)c(F)cc2[nH]1)N1CCC(c2ccccc2)=N1 27076561 UIIZCUSUBFHMOE-UHFFFAOYSA-N 372.400 3.570 0 40 FHAB CC(C)c1ccc(SCCOc2ccc(S(N)(=O)=O)cc2)cc1 27684056 KIFHKNUQLAHSLQ-UHFFFAOYSA-N 351.493 3.629 0 40 FHAB O=C(NC[C@H]1CCCO1)c1ccc(COc2cccc3ccccc23)o1 28227493 UZDJEYLFJJKZMG-MRXNPFEDSA-N 351.402 3.921 0 40 FHAB Cc1nn(CC(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)c(C)c1Cl 28240925 LNRGPLBVWMZICN-UHFFFAOYSA-N 364.236 3.631 0 40 FHAB COc1cc(OC)cc(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)c1 32070299 ZBRAGRMAOKDWRJ-UHFFFAOYSA-N 350.418 3.990 0 40 FHAB C[C@@H](CNC(=O)/C=C/c1ccc(Cl)cc1Cl)N1C[C@@H](C)O[C@H](C)C1 32429813 BHCQBEMURIRTJE-KZGWVXSYSA-N 371.308 3.621 0 40 FHAB Cc1ccc(CN(C)C(=O)c2cc(-c3ccco3)nc3onc(C)c23)o1 32888260 XLBLISBDKIHUDX-UHFFFAOYSA-N 351.362 3.965 0 40 FHAB Cc1cccc(CSCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1 32896401 MJKTUMFUDDUBQD-UHFFFAOYSA-N 369.534 3.619 0 40 FHAB Cc1cc(C)n2nc(CC(=O)Nc3ccccc3Cc3ccccc3)nc2n1 32915754 VGEYIQJNNTXQKJ-UHFFFAOYSA-N 371.444 3.513 0 40 FHAB CCCN(Cc1ccc(C)cc1)CN1C(=O)NC2(C1=O)[C@@H](C)CCC[C@@H]2C 32932593 WJDURTDAVDJIHQ-ROUUACIJSA-N 371.525 3.911 0 40 FHAB COc1cc(NC(=O)c2ccc(-c3nc(C)no3)cc2)c(OC)cc1Cl 39551517 QTNIOIFNKWWUTL-UHFFFAOYSA-N 373.796 3.968 0 40 FHAB COC(=O)c1c(CC(=O)Nc2ccccc2C(C)(C)C)[nH]c(C(C)=O)c1C 39994063 NFVGDTCGVGCOEN-UHFFFAOYSA-N 370.449 3.791 0 40 FHAB CCN(Cc1cccc(NC(=O)N[C@H]2CCOc3ccccc32)c1)C(C)=O 44378608 JOAAZHCDBUJWTR-IBGZPJMESA-N 367.449 3.700 0 40 FHAB COc1ccccc1CCNC(=O)c1sc(NCc2ccco2)nc1C 44890439 FWTWIRQLJJAVFV-UHFFFAOYSA-N 371.462 3.638 0 40 FHAB O=C(Nc1cccc(CN2CCCC2)c1)c1cccc(Cn2ccnc2)c1 45734368 ZKYFYMQIRBJVAV-UHFFFAOYSA-N 360.461 3.780 0 40 FHAB C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)O)c1)c1cc(Cl)ccc1O2 45918763 YPBSTCFHNDPLHJ-RDTXWAMCSA-N 358.781 3.808 0 40 FHAB C[C@@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(Cc2cccc(F)c2)C1=O 47360122 IKWQLRRDWQSYJO-KRWDZBQOSA-N 366.314 3.812 0 40 FHAB CN(Cc1ccsc1)C(=O)Nc1cccc(-c2nnc3n2CCC3)c1 48326534 CGTJZLGGLRHJDZ-UHFFFAOYSA-N 353.451 3.617 0 40 FHAB C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1cccc[n+]1[O-])C1CC1 56223773 AENBQARGTKGTTC-LBPRGKRZSA-N 350.340 3.705 0 40 FHAB Cc1ccc(NC(=O)NC2CCN(C3CC3)CC2)c(OCC(F)(F)F)c1 56595182 IPJMXQAEUGZNPL-UHFFFAOYSA-N 371.403 3.684 0 40 FHAB C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 58381704 SBXYPNPRCOQFAX-YOEHRIQHSA-N 372.440 3.507 0 40 FHAB Cn1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2c1=O 61718609 CGDMUTVRIAJWRA-UHFFFAOYSA-N 362.307 3.689 0 40 FHAB CC(=O)N1CCCCC[C@@H]1C1CCN(c2nccc(C(F)(F)F)n2)CC1 71889370 DZIQNZRHFBKICY-OAHLLOKOSA-N 370.419 3.503 0 40 FHAB O=S(=O)(c1cnccc1S)N(Cc1ccccc1)Cc1ccccc1 72210692 DHKLCWRURVBPPV-UHFFFAOYSA-N 370.499 3.761 0 40 FHAB COc1cccc(-c2nsc(NC(=O)COc3ccccc3C)n2)c1 72238899 ZHHTYYBDVQADFS-UHFFFAOYSA-N 355.419 3.540 0 40 FHAB CCn1c(CN(C)[C@H](C(=O)NC2CC2)c2ccccc2)nc2ccccc21 72308276 VPWOBTCYFDBRLD-NRFANRHFSA-N 362.477 3.508 0 40 FHAB Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN(Cc3cscn3)C2)on1 72334680 NMRZQHXNLOVBAB-CQSZACIVSA-N 355.467 3.585 0 40 FHAB Cc1cccc(Oc2nccnc2C2CCN(C(=O)c3ccccn3)CC2)c1 72362263 WESKSIWGJPYJRQ-UHFFFAOYSA-N 374.444 3.992 0 40 FHAB COCc1ccccc1CNC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C 78869357 NLUOYGXCUBYNEF-GOSISDBHSA-N 364.848 3.545 0 40 FHAB Cc1cccc(NC(=O)c2ccc(CSc3nc(C)cc(C)n3)o2)n1 79479314 ZILAKMQYHJHAHE-UHFFFAOYSA-N 354.435 3.934 0 40 FHAB CNc1snc(C)c1C(=O)N1CCC(Oc2c(C)cccc2C)CC1 84225225 TXYKUIRABGIJPT-UHFFFAOYSA-N 359.495 3.794 0 40 FHAB O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1cc2c(s1)CCCCC2 84432661 GBKNVLMPVNVKFV-INIZCTEOSA-N 372.490 3.531 0 40 FHAB O=C(NC[C@@]1(O)CCc2ccccc2C1)Nc1ccccc1C(F)(F)F 85560621 WFEZOOWZRJZNIN-GOSISDBHSA-N 364.367 3.747 0 40 FHAB Cc1ccccc1CSCC(=O)N(C)Cc1nc(-c2cccs2)no1 95481651 KVFISOWLVCDKJX-UHFFFAOYSA-N 373.503 3.998 0 40 FHAB O=C(c1ccsc1)N1CCC2(CCN(Cc3ccncc3)CC2)CC1 96047276 SOPATGJKMHLACT-UHFFFAOYSA-N 355.507 3.662 0 40 FHAB O=C(Nc1ccccc1)N1CCC[C@@]2(CCCN2Cc2cccnc2)C1 96214626 OSFDRNWAWDBANT-OAQYLSRUSA-N 350.466 3.744 0 40 FHAB Cc1ccc(C(=O)Oc2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)cc1 100839104 DHUONFGEZUEDGK-RTBURBONSA-N 363.413 3.894 0 40 FHAB CC(=O)NC[C@H]1C[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 104214570 OONPIGWLFRYZLN-YRZRMSQOSA-N 371.906 3.974 0 40 FHAB Cc1ccccc1C1CCN(C(=O)c2cnc(-c3ncccn3)s2)CC1 106662175 RGMAXGQTDGFWKZ-UHFFFAOYSA-N 364.474 3.928 0 40 FHAB CC(C)OCc1cccc(NC(=O)N2C[C@@H]3CN4CCCC[C@@H]4[C@H]3C2)c1 106916250 SZUJJDHBGDYPQN-YSIASYRMSA-N 357.498 3.560 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2ccccc2OC)c1 219497529 URXCLTHBKWDDQA-CQSZACIVSA-N 357.406 3.586 0 40 FHAB COc1ccccc1CNC(=O)c1cnc(-c2ccc(F)cc2)nc1C 222584904 PEGTZKBNPJBUOY-UHFFFAOYSA-N 351.381 3.530 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C 223150327 XJTJKJDRTKETCU-IBGZPJMESA-N 372.896 3.744 0 40 FHAB COc1ccc(C(=O)NCc2nc(-c3cccc(C)c3)no2)cc1Cl 224253223 ULTSKRDQQHWURM-UHFFFAOYSA-N 357.797 3.637 0 40 FHAB O=C(CSCc1ccccc1F)Nc1ccc(N2CCOCC2)cc1 225014990 GJSDYDUUHYQPDB-UHFFFAOYSA-N 360.454 3.534 0 40 FHAB Cc1ccc(OCCNC(=O)COc2cccc3c2CCCC3)cc1C 225176887 OGJNQKVHLBCACQ-UHFFFAOYSA-N 353.462 3.756 0 40 FHAB CC(=O)Nc1ccc(CC(=O)NCc2cccnc2-c2cccs2)cc1 225760470 XFARJZFMDQOJHI-UHFFFAOYSA-N 365.458 3.627 0 40 FHAB COc1ccccc1CCCNC(=O)COc1cccc(C(F)(F)F)c1 225813258 WQBIEAJRXSGDTL-UHFFFAOYSA-N 367.367 3.842 0 40 FHAB CCc1cccc(C)c1NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 243858595 RHVOIBHKVRZTOR-UHFFFAOYSA-N 374.506 3.579 0 40 FHAB COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](Cc4ccccc4)OCC[C@@]31C2 257217739 DAJQYVGXDIQZPE-WMFFNKJVSA-N 371.521 3.592 0 40 FHAB COc1c(C)cccc1C(=O)Nc1ccccc1I 408624627 YJEWACRETOAZEQ-UHFFFAOYSA-N 367.186 3.861 0 40 FHAB C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)c1ccccc1 408647655 JOKXSLUTRLXPNU-ZFWWWQNUSA-N 371.820 3.508 0 40 FHAB Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1C 409197296 AVLLBFCYKYVHBK-UHFFFAOYSA-N 374.506 3.561 0 40 FHAB Cc1nn(CCNC(=O)NCc2ccc(F)cc2)c(C)c1-c1ccsc1 575615756 UTWSTMCZBDVOLQ-UHFFFAOYSA-N 372.469 3.867 0 40 FHAB COc1ccc(C(=O)Nc2cccc(CN3CCCc4n[nH]cc43)c2)cc1 585085019 JIOLCZIROBFCED-UHFFFAOYSA-N 362.433 3.623 0 40 FHAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)cc1)c1noc2c1CCCC2 585148150 PTJPWTRZGAJYER-KRWDZBQOSA-N 368.458 3.745 0 40 FHAB Cc1cccc(Nc2cc([C@@H]3CCCN(Cc4cncn4C)C3)ccn2)n1 585182507 QONLNQAFBPFHII-GOSISDBHSA-N 362.481 3.642 0 40 FHAB Cc1cccc([C@@H]2CCN(C(=O)N[C@@H](C[C@@H]3CCCO3)C(F)(F)F)C2)c1 654263290 GPUZAKHKVFPCEP-IKGGRYGDSA-N 370.415 3.994 0 40 FHAB FC(F)(F)c1ccc(-n2cc(Nc3cc(-n4ccnc4)ncn3)cn2)cc1 676492165 KWLYYXVYGLNPJM-UHFFFAOYSA-N 371.326 3.610 0 40 FHAB FC(F)(F)c1cccnc1OC[C@H]1CCCN(Cc2cccnc2)C1 1775995633 CHNHTSIAERKTRB-HNNXBMFYSA-N 351.372 3.786 0 40 FHAB O=c1c2ccccc2ncn1CC1CCN(Cc2cc(F)ccc2F)CC1 1888930314 FNFJUASXNYKPQR-UHFFFAOYSA-N 369.415 3.587 0 40 FHAB O=C1COC[C@@]2(CCN(Cc3ccccc3Cl)C2)CN1c1ccccc1 2037984323 XNGGSJOGPBKION-OAQYLSRUSA-N 370.880 3.596 0 40 FHAB Cc1cccc(OCCCNC(=O)c2sc(NC(=O)C3CC3)cc2C)c1 22423647 XGWNTUPRVHKASA-UHFFFAOYSA-N 372.490 3.912 0 40 FHAB CC(C)[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 78710461 BELOGTHDXCETKJ-OXJNMPFZSA-N 360.523 3.985 0 40 FHAB O=C(Nc1ccc(Cl)cn1)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1 79075949 FEKQNECXLDUBMO-AEFFLSMTSA-N 367.840 3.982 0 40 FHAB C[C@H]1Sc2ccccc2N(S(=O)(=O)c2c[nH]c3ncccc23)[C@@H]1C 79105636 GWSDNYIGHBQIQW-VXGBXAGGSA-N 359.476 3.641 0 40 FHAB CCCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCO3)cc1OC 1934613 ZSQZVCKOBCECHE-WEVVVXLNSA-N 355.390 3.865 0 40 FHAB Cn1ncc2c1N=C(O)CS[C@@H]2c1ccc(OCc2ccccn2)cc1 79480673 ZIUPRZRTEOMQOT-GOSISDBHSA-N 366.446 3.818 0 40 FHAB CN(Cc1ccco1)C(=O)COC(=O)c1ccccc1Oc1ccccc1 22704153 WBPLATHOPLLSNB-UHFFFAOYSA-N 365.385 3.887 0 40 FHAB COc1ccccc1C(=O)NCCc1nc2ccccc2n1CC(C)C 2721452 YQAVBZGOMLEVEA-UHFFFAOYSA-N 351.450 3.673 0 40 FHAB Cc1ccc(Nc2nc([C@@]3(C)C[C@@]4(C[C@H](C)OC4=O)C(=O)O3)cs2)cc1 3999549 RQAIBCBLYLKLAH-GESALYCCSA-N 372.446 3.679 0 40 FHAB COc1ccc(CN(C(=O)c2ccco2)[C@H]2C[C@H](C)N(C)C[C@H]2C)cc1 4325758 SUTXCIMFRCHMFF-GJYPPUQNSA-N 356.466 3.659 0 40 FHAB COc1ccc(CN(C(=O)c2ccco2)[C@H]2C[C@H](C)N(C)C[C@@H]2C)cc1 6576890 SUTXCIMFRCHMFF-BXWFABGCSA-N 356.466 3.659 0 40 FHAB CN(c1ccccc1)S(=O)(=O)c1csc(C(=O)Nc2ccccc2)c1 6681090 XXTUXWOPDGUXDT-UHFFFAOYSA-N 372.471 3.826 0 40 FHAB CCCCn1nnnc1NCc1cccc(OCc2ccccc2F)c1 7262203 FTRSDJXBTKGKDH-UHFFFAOYSA-N 355.417 3.803 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)N2CCN(c3ccccc3F)CC2)cc1C 7495714 UQYPCNMJSWOCEZ-KRWDZBQOSA-N 356.441 3.559 0 40 FHAB Cc1[nH]c2ccc(C(=O)OCC(=O)N3CCCc4ccccc43)cc2c1C 7735647 GMYSAIFUWQTLKV-UHFFFAOYSA-N 362.429 3.921 0 40 FHAB O=S(=O)(Oc1ccc(-c2csnn2)cc1)c1ccc(Cl)cc1 3104196 NIEVZCSOYGTOTH-UHFFFAOYSA-N 352.824 3.626 0 40 FHAB COc1cccc(N2C[C@@H](C(=O)N[C@H](C)c3cccc(Cl)c3)CC2=O)c1 24748125 GCRCYGSGDDPXJX-HIFRSBDPSA-N 372.852 3.579 0 40 FHAB COc1cc(C=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 9232092 UFHXSFBNTXLOKS-UHFFFAOYSA-N 354.189 3.832 0 40 FHAB Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)n(-c2ccccn2)n1 107247427 AFFXMBKMKYAALP-HOTGVXAUSA-N 352.825 3.971 0 40 FHAB COc1cc(F)c(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1OC 107269106 HVDGEDXGNYWRJH-UHFFFAOYSA-N 359.332 3.624 0 40 FHAB O=C(CSc1nccn1-c1ccc(Cl)cc1)c1ccc(O)cc1O 26042264 RPXITDBSMULLSC-UHFFFAOYSA-N 360.822 3.912 0 40 FHAB Cc1cc(C)cc(-n2nnnc2SCc2nc(C)c3ccccc3n2)c1 26417548 PRLOMMIULPGULT-UHFFFAOYSA-N 362.462 3.823 0 40 FHAB C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(S[C@@H]2CCOC2=O)nnc1-c1ccco1 108054412 PTWYQAUXVTZRHT-XSEXMBABSA-N 373.478 3.943 0 40 FHAB CCOC(=O)[C@H]1CCCN(C(=S)Nc2ccc(SC(F)F)cc2)C1 3262243 GKUUJMOEARXTRQ-NSHDSACASA-N 374.478 3.973 0 40 FHAB COc1ccc(Cl)cc1NC(=O)c1cnnn1-c1ccccc1Cl 58132227 GCOCAZQMSYXAED-UHFFFAOYSA-N 363.204 3.835 0 40 FHAB C[C@@H]1CN(c2ccc(NC(=O)CCC(=O)c3cccs3)cc2)C[C@@H](C)O1 58195125 JEYWIYAAFHMLOA-HUUCEWRRSA-N 372.490 3.963 0 40 FHAB O=C(COC(=O)c1ccc2c3c(cccc13)CC2)Nc1ccc(Cl)cn1 48272275 HEXHWVJSFTYJFT-UHFFFAOYSA-N 366.804 3.782 0 40 FHAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCCC1 22534832 MEFCIFLHOBDBMN-MRXNPFEDSA-N 366.461 3.891 0 40 FHAB COC(=O)C1(NC(=O)Cc2ccc(-c3ccccc3)cc2)CCCCC1 12793978 UOOBNUFSBCPGLQ-UHFFFAOYSA-N 351.446 3.888 0 40 FHAB COc1ccccc1[C@H](C)NS(=O)(=O)c1cc(C(C)C)ccc1OC 20030035 DCLPPCGPMDVFJZ-AWEZNQCLSA-N 363.479 3.867 0 40 FHAB CCCCNC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 3319458 NIYFOQDODHSMQS-UHFFFAOYSA-N 352.390 3.568 0 40 FHAB Cc1ccc(C)c(OCCN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)c1 3301154 HPMODJOSEMNKCB-FQEVSTJZSA-N 372.852 3.803 0 40 FHAB CC(=O)N[C@H]1C(=O)N(CCCOc2ccccc2C)c2ccc(Cl)cc21 100485769 FSADGRWXXVTRDN-LJQANCHMSA-N 372.852 3.641 0 40 FHAB COc1ccc(CN[C@@H](C)C(=O)Nc2ccc3ccccc3c2)cc1OC 3386333 NOZVUHHWECEONC-HNNXBMFYSA-N 364.445 3.974 0 40 FHAB O=C(NCC1(c2ccccc2)CC1)Nc1ccc(-n2cccn2)c(F)c1 48333868 PQCXJEHQGSQDGE-UHFFFAOYSA-N 350.397 3.865 0 40 FHAB COc1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 12884881 OPOMVROTYBVYMY-GPZRYRNASA-N 364.445 3.586 0 40 FHAB CCCCc1ccc(NC(=O)C2CCN(C(=O)c3ccncc3)CC2)cc1 29108018 LBUSWNLLNOSJMK-UHFFFAOYSA-N 365.477 3.915 0 40 FHAB Cc1ccc(NC(=O)COC(=O)c2c(-c3ccccc3)noc2C)cc1F 3497226 UYEHBOVFESBXEH-UHFFFAOYSA-N 368.364 3.893 0 40 FHAB COC(=O)c1ccc(COc2ncnc3c(Cl)cc(Cl)cc23)o1 2660806 ZQYJGNUTJXLKHQ-UHFFFAOYSA-N 353.161 3.895 0 40 FHAB CCc1nc2ccccc2c(C(=O)OCC(=O)NCc2ccccc2)c1C 3525617 ZOOBTWGCGKXBSE-UHFFFAOYSA-N 362.429 3.579 0 40 FHAB C[C@]1(C(=O)Nc2cccc(OC(F)(F)F)c2)Cc2ccccc2C(=O)O1 12981524 YKSNVYKFPKTDDB-QGZVFWFLSA-N 365.307 3.696 0 40 FHAB COc1ccc(/C=C/C(=O)O[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1 6054456 AQKJRJWMTCDZBL-ROCUKZSVSA-N 365.429 3.618 0 40 FHAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 4385250 IPLGGWYBUHAYQQ-MRXNPFEDSA-N 352.434 3.694 0 40 FHAB O=C(Nc1ccccc1C(=O)NC1CCCC1)c1ccc(-n2cccn2)cc1 6608192 VLANPBBTEWMYDY-UHFFFAOYSA-N 374.444 3.797 0 40 FHAB CCCn1c(NC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)nc2ccccc21 14626281 FKVSNRBERDMKOO-UHFFFAOYSA-N 368.437 3.820 0 40 FHAB CCOc1ccc(-c2nonc2NC(=O)c2cccs2)cc1OCC 6811484 JJMXZCUHSFSZIB-UHFFFAOYSA-N 359.407 3.848 0 40 FHAB C[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 6881185 GJAYIJSUIHSLSJ-ZDUSSCGKSA-N 373.396 3.885 0 40 FHAB O=C(CCn1ccc2ccccc21)O[C@H](C(=O)NC1CC1)c1ccccc1 6980519 SEWGFMGMIRSKLZ-NRFANRHFSA-N 362.429 3.595 0 40 FHAB CCCCOc1ccc(NC(=O)[C@H](C)Sc2ncnc3nc[nH]c23)cc1 9421733 WFKQMYDFEPAVIB-LBPRGKRZSA-N 371.466 3.651 0 40 FHAB Cc1ccccc1OCc1nnc(SCCOc2ccccc2)n1C 7341823 XFNCUMXTHAZMDL-UHFFFAOYSA-N 355.463 3.874 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)Cc1ccc(Cl)cc1 7482306 RNQVDGUYAYSCHF-HNNXBMFYSA-N 359.853 3.563 0 40 FHAB Cc1ccsc1CN(C)C(=O)CSc1nnc(C2CC2)n1C1CC1 7551133 LFDKNTDXARPAJZ-UHFFFAOYSA-N 362.524 3.611 0 40 FHAB O=C(COc1ccc(Br)cc1)Nc1ccnn1C1CCCC1 7671107 AUMNAXHLYYTZTF-UHFFFAOYSA-N 364.243 3.778 0 40 FHAB O=C([C@@H](Sc1ccc2ccccc2n1)c1ccccc1)N1CCOCC1 7920707 NRDFJMDHZNVRPU-FQEVSTJZSA-N 364.470 3.927 0 40 FHAB CN(CC(=O)Nc1ccc(F)cc1F)Cc1ccc(OC(F)F)cc1 7901940 KDTAAFREAGIKNI-UHFFFAOYSA-N 356.319 3.637 0 40 FHAB O=C(/C=C/c1sc2ccccc2c1Cl)NCc1nnc2ccccn12 8352317 JCLMNXGXBVEQJO-CMDGGOBGSA-N 368.849 3.927 0 40 FHAB CCc1c(C)sc2nc(SCC(=O)c3ccc[nH]3)n(CC)c(=O)c12 8705549 OCBJINQAHRCMFP-UHFFFAOYSA-N 361.492 3.652 0 40 FHAB Cc1cc(C)cc(NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 9667709 YWRGMECOUOIKLQ-QGZVFWFLSA-N 374.506 3.713 0 40 FHAB NC(=O)c1ccc(Cl)c(NC(=O)c2ccnc(Oc3ccccc3)c2)c1 95957442 GNNXLGSHVXEDQB-UHFFFAOYSA-N 367.792 3.879 0 40 FHAB C[C@@H]1CC(=O)CC[C@H]1C(=O)OCc1nc2cc(C(F)(F)F)ccc2o1 95976517 BDIQRNZZHSVEKS-BXKDBHETSA-N 355.312 3.895 0 40 FHAB Cc1noc(C)c1[C@H](C)C(=O)Nc1cccc(CN2CCSCC2)c1 95957908 POXKYVUFGZVSSQ-ZDUSSCGKSA-N 359.495 3.582 0 40 FHAB COC(=O)c1cc(C(=O)N2CCC[C@H]2c2cccc3ccccc23)on1 95993615 OLJNZBFAKQQLJD-KRWDZBQOSA-N 350.374 3.592 0 40 FHAB COc1ccc(-c2noc([C@@H]3C[C@H](NCC4CCCCC4)CN3C)n2)cc1 35424514 OVLXJDWJHLGCRV-HKUYNNGSSA-N 370.497 3.660 0 40 FHAB biogenic,in-vitro CCc1ccccc1-n1cnnc1SCC(=O)NCc1ccc(C)cc1 25067503 NNTVOQMVXVJNBC-UHFFFAOYSA-N 366.490 3.547 0 40 FHAB CC(C)CNC(=O)c1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 29761756 UISICQVRFOJZOS-FMIVXFBMSA-N 367.405 3.633 0 40 FHAB CCc1nccn1-c1cccc([C@H]2CCCN2C(=O)Cc2ccccc2)n1 72378883 DJNXBVNEJQOOGZ-LJQANCHMSA-N 360.461 3.736 0 40 FHAB Cc1ccc(-n2ncc3c(NCc4ccc5c(c4)OCO5)ncnc32)cc1C 20661958 CMZMRQZDZGEEJC-UHFFFAOYSA-N 373.416 3.773 0 40 FHAB CC(C)(C)C1CCC(NC(=O)C(=O)NCc2ccc(Cl)cc2)CC1 408710210 SDULMMUFBLCCGE-UHFFFAOYSA-N 350.890 3.677 0 40 FHAB COc1ccc(CC(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)cc1 32609690 FBBAAIKXWMVIAR-UHFFFAOYSA-N 373.815 3.914 0 40 FHAB COc1cccc(CN2CCC[C@@H](c3nnc(-c4ccncc4)o3)C2)c1 72389956 OHTQHNFWZFRLIA-QGZVFWFLSA-N 350.422 3.520 0 40 FHAB CC1(C)C[C@H](NC(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc2O1 121454934 FUYRWPSOCHETHW-SFHVURJKSA-N 364.445 3.846 0 40 FHAB CC(C)(C)c1ccc(S(=O)(=O)Nc2nnc(-c3ccncc3)s2)cc1 32610542 GFWKDWUWDSADAP-UHFFFAOYSA-N 374.491 3.698 0 40 FHAB Nc1cccc(Cl)c1N1CCN(C(=O)c2cccc(Cl)c2)CC1 72230195 CBFQTXUDQNBLRA-UHFFFAOYSA-N 350.249 3.538 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c1 71283848 NGBQTLYWMJHHFS-UHFFFAOYSA-N 374.400 3.894 0 40 FHAB CN1CC[C@H](NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)[C@H]2CCC[C@@H]21 560525858 BNAJITNXQIATAF-ITTZZAOWSA-N 353.554 3.644 0 40 FHAB Cc1cc(Cl)ccc1OCC(=O)n1c(C)c(C(N)=O)c2ccccc21 216777892 PLOKQNLPJRHMNY-UHFFFAOYSA-N 356.809 3.730 0 40 FHAB Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 72378482 UHAWGONBWYDGHC-IBGZPJMESA-N 364.424 3.621 0 40 FHAB CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 223745520 WPSRDXLDRHSIMP-UHFFFAOYSA-N 363.454 3.750 0 40 FHAB CCCOc1ccc([C@@H](C)NC(=O)NCCCN(C)C)cc1OCCC 42923231 JCJZHTBERHFKOE-MRXNPFEDSA-N 365.518 3.576 0 40 FHAB Cc1cccc(C)c1N(CC(=O)O)S(=O)(=O)c1ccc2ccccc2c1 225043578 QDWVGXDWNSADLI-UHFFFAOYSA-N 369.442 3.737 0 40 FHAB CCc1nc2ccccc2c(=O)n1CC(=O)Nc1cc(Cl)ccc1C 40478669 MOSCUZLSTDKDIZ-UHFFFAOYSA-N 355.825 3.559 0 40 FHAB CC1CCN(Cc2ccc(C(=O)NCCN(C)c3ccccc3)cc2)CC1 44916924 XVUCGDYWFZAGCJ-UHFFFAOYSA-N 365.521 3.785 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 223088800 RPEWCTKALOPQSW-OAQYLSRUSA-N 366.505 3.789 0 40 FHAB CC[C@@H](NC(=O)COc1cccc(C)c1C)c1ccc(OC)c(OC)c1 222822494 QFKNEKGYNRZCAU-QGZVFWFLSA-N 357.450 3.967 0 40 FHAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)Cc1ccccc1F 225451597 PKFPTLKHOSTDAI-UHFFFAOYSA-N 359.788 3.730 0 40 FHAB CC(C)CNC(=O)CCc1ncc(-c2cccc(Br)c2)o1 224882888 CMXGCDGYIWELMA-UHFFFAOYSA-N 351.244 3.809 0 40 FHAB COc1cccc(OC)c1CNC(=O)c1cc(-c2ccc(Cl)cc2)on1 225898464 JDUALPPSECRCEO-UHFFFAOYSA-N 372.808 3.942 0 40 FHAB COc1ccccc1OCCc1nnc(NC(=O)c2ccc(C)cc2)s1 95116456 MMHVYOYBQXEMLU-UHFFFAOYSA-N 369.446 3.729 0 40 FHAB O=C(c1cnc2n1CCCC2)N1CCC(c2noc3cc(F)ccc23)CC1 582458396 KAQVWPAPZRTUNW-UHFFFAOYSA-N 368.412 3.520 0 40 FHAB Oc1cc(-c2ccncc2)nc([C@H]2CCCN(C[C@@H]3CC=CCC3)C2)n1 247851276 HFZXAAXJIWGISF-AEFFLSMTSA-N 350.466 3.780 0 40 FHAB COc1cccc2c1O[C@@]1(C)C[C@H]2NC(=O)N1CCCc1ccccc1 1615615679 SOMLFSVDYFPASZ-UTKZUKDTSA-N 352.434 3.893 0 40 FHAB COC(=O)N1CCc2ccc(NC(=O)CSCc3ccccc3)cc2C1 96096264 VJRVTAOMMJWMMV-UHFFFAOYSA-N 370.474 3.683 0 40 FHAB CCCc1cc(C(=O)NCc2cc(F)c(C(F)(F)F)cc2F)cc(O)n1 1625774282 TXSWNCGVBDZXHZ-UHFFFAOYSA-N 374.309 3.967 0 40 FHAB O=C(O)c1cccc2c1CN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)CC2 649258595 XFNZTQRMWLWYPQ-CHWSQXEVSA-N 355.356 3.638 0 40 FHAB O=C(NCc1cncc(C2CC2)c1)Nc1nc(-c2ccccn2)cs1 575620314 LXTHRTVYPDNWGL-UHFFFAOYSA-N 351.435 3.799 0 40 FHAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC(C)C)cc2)c(C)c1 55651598 WTHFVNJKBRALJF-UHFFFAOYSA-N 360.479 3.551 0 40 FHAB CN(Cc1ccc(Br)cc1)C(=O)CNc1ccccc1F 39972110 FPHPZPFVPUECSW-UHFFFAOYSA-N 351.219 3.659 0 40 FHAB Cc1onc(-c2ccccc2)c1C(=O)N1CCCC[C@H](N2CCCC2)C1 107524868 LSFODRWZGLYPQA-SFHVURJKSA-N 353.466 3.741 0 40 FHAB COC(=O)c1cc(Br)cc2c1N(C(=O)OC(C)(C)C)CC2 79034328 CULROCIUGVJNGP-UHFFFAOYSA-N 356.216 3.533 0 40 FHAB Cc1cccc(NC(=O)[C@@H](C)OC(=O)CSc2nc3ccccc3o2)c1 5969819 HCPZGEXTAAFSLD-CYBMUJFWSA-N 370.430 3.799 0 40 FHAB CCOc1ccc(CN(Cc2ccccn2)C[C@@H]2CCCO2)cc1OC 12144482 RLEGUJGHIOCHFL-IBGZPJMESA-N 356.466 3.670 0 40 FHAB COc1ccc2cc(CN(C)[C@@H](C)Cc3ccccn3)c(OC)nc2c1 12148176 KDPUDVQJKPYIQY-HNNXBMFYSA-N 351.450 3.710 0 40 FHAB COc1ccc([C@@H](NC(=O)c2csc(C(C)=O)c2)c2ccncc2)cc1 12148484 HZRZOSQOOSCYGQ-LJQANCHMSA-N 366.442 3.874 0 40 FHAB Cc1nc2c3c4c(sc3nc(NCc3ccco3)n2n1)CC[C@H](C)C4 13735321 GJFZZKJZQFSGRC-JTQLQIEISA-N 353.451 3.977 0 40 FHAB COc1ccc(C2=NN(c3nc(C)cc(=O)[nH]3)[C@@H](c3cccs3)C2)cc1 16283578 OMLGOJNHFRIVNF-MRXNPFEDSA-N 366.446 3.504 0 40 FHAB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](CC(C)C)[C@@H]2C1=O 18118894 BMHVPIICEQFDLA-UFYCRDLUSA-N 364.445 3.720 0 40 FHAB C[C@H](C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1)n1cc(Cl)cn1 19078228 SQLMICHOTIXCOY-ZIAGYGMSSA-N 365.836 3.554 0 40 FHAB COc1ccccc1-c1cc(NC(=O)[C@@H](C)Oc2cccc(F)c2)n(C)n1 19080505 XMPJWZIBXLHTKL-CYBMUJFWSA-N 369.396 3.641 0 40 FHAB CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1cc(NC)nc(C2CC2)n1 19499229 SLWJCWVMBBNQFH-KRWDZBQOSA-N 363.465 3.687 0 40 FHAB Cc1nc(N(C)C)ncc1C(=O)Nc1ccc2nc(C(C)C)sc2c1 19552792 BPVWYTMUWVZFMH-UHFFFAOYSA-N 355.467 3.836 0 40 FHAB COc1ccc(CN2CCC[C@@H](c3cc4ncccc4[nH]3)C2)cc1OC 19560998 MCZIVTSZQYESCO-MRXNPFEDSA-N 351.450 3.960 0 40 FHAB Cc1ccccc1NCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 5337889 RTCPDKWTAYNTEA-RQZCQDPDSA-N 368.414 3.830 0 40 FHAB Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)c2cccs2)cc1 4596892 CXBBFTMKMKYGDL-UHFFFAOYSA-N 371.414 3.972 0 40 FHAB Cc1ccc2c(COC(=O)/C=C/c3ccc4c(c3)OCO4)cc(=O)oc2c1 4836413 OJPPNEANLOKLMC-QPJJXVBHSA-N 364.353 3.587 0 40 FHAB COc1cc(S(=O)(=O)Nc2cccc3ccccc23)ccc1NC(C)=O 13097947 JPOHQPQYRTUPGX-UHFFFAOYSA-N 370.430 3.608 0 40 FHAB CCOc1ccccc1OS(=O)(=O)c1ccc(Br)s1 16094081 VJABEWPTPDSWCS-UHFFFAOYSA-N 363.254 3.677 0 40 FHAB CSc1nc2ccccc2n1CN1CCN(c2ccc(F)cc2)CC1 21841856 BCEAKODLHFHDJD-UHFFFAOYSA-N 356.470 3.677 0 40 FHAB S=C(NCc1ccccc1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 35290357 PNNGJEOPMYKQOY-SEJPIABJSA-N 365.546 3.846 0 40 FHAB O=C1CO[C@@]2(CCCN(C3CCCCC3)CC2)CN1c1ccc(F)cc1 2037840394 LSNHURCJNFHYIE-OAQYLSRUSA-N 360.473 3.746 0 40 FHAB CO[C@]1(COc2ccccc2)CCCN(C(=O)Cc2cccc(Cl)c2)C1 2037909374 YPRBHZDVGNLNMH-OAQYLSRUSA-N 373.880 3.969 0 40 FHAB Cc1nn(C(=O)c2cccc(Br)c2)c(C)c1Br 707305 OBRPEZIZHCNJGQ-UHFFFAOYSA-N 358.033 3.713 0 40 FHAB Cc1ccc(-n2nnc(-c3nc(-c4ccc(Cl)cc4)no3)c2N)cc1 4313452 XOBYZZLKVPUFID-UHFFFAOYSA-N 352.785 3.528 0 40 FHAB Cc1ccc(S(=O)(=O)NCCc2sc(-c3ccccc3)nc2C)cc1 4392337 UTXSXCUZMKQXHS-UHFFFAOYSA-N 372.515 3.948 0 40 FHAB Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCC1=O 5440650 KCQBQSCUGWHTME-UHFFFAOYSA-N 358.825 3.793 0 40 FHAB Cc1ccc(N2C[C@H](CNC(=O)Cc3cccc4ccccc34)OC2=O)cc1 9069367 QGGPQSAVCHCRPC-FQEVSTJZSA-N 374.440 3.832 0 40 FHAB COc1ccc2nc(-c3ccc(NC(=O)c4ccccc4C)cc3)cn2n1 11693469 RVCXFLFYMQFIFG-UHFFFAOYSA-N 358.401 3.966 0 40 FHAB O=C(c1c(F)cccc1Cl)N1CC(Oc2nc3ccccc3s2)C1 206657684 ASENPPYOUWRXFQ-UHFFFAOYSA-N 362.813 3.992 0 40 FHAB O=C(NCC1CCN(C(=O)/C=C/c2ccco2)CC1)c1cccc(Cl)c1 44001926 JTXDOLCXJORHFF-VOTSOKGWSA-N 372.852 3.615 0 40 FHAB COc1ccc(CCC(=O)N2CCC[C@H](Oc3ccncc3Cl)C2)cc1 575612789 NHUYIOBRCPMMBR-KRWDZBQOSA-N 374.868 3.746 0 40 FHAB C[C@@H](CNC(=O)CCCc1nc2ccccc2[nH]1)N(C)c1ccccc1 40108903 AQRRRWJHTGBLND-INIZCTEOSA-N 350.466 3.527 0 40 FHAB CC[C@@H](C)[C@H](N)C(=O)Oc1ccc2c(=O)c(-c3csc(C)n3)coc2c1 20111168 SQZMXPOAPPQOMP-QGHHPUGFSA-N 372.446 3.504 0 40 FHAB biogenic O=C1Nc2cccc(Cl)c2[C@@]12CC(O)=Nc1c2cnn1-c1ccccc1 20745530 XNWRMNZBATWQFA-IBGZPJMESA-N 364.792 3.756 0 40 FHAB O=C1COc2cc(C(=O)N[C@H](c3cccs3)C3CCCC3)ccc2N1 32396921 AZTDVCPQILTYPF-SFHVURJKSA-N 356.447 3.740 0 40 FHAB CCc1nnc(NC(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)s1 21351816 SPHAZGNLUJOBBK-UHFFFAOYSA-N 370.217 3.766 0 40 FHAB CNc1snc(C)c1C(=O)OCc1cccc(OCC(F)(F)F)c1 60911750 RDIZHSYZZAPRPN-UHFFFAOYSA-N 360.357 3.791 0 40 FHAB Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 1330044 KTFYUOLSJRWVOV-UHFFFAOYSA-N 357.475 3.587 0 40 FHAB COCc1nc(C(=O)NCC23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cs1 103819663 FALCNXJAGCRHEY-VDQHWBOFSA-N 354.903 3.597 0 40 FHAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1n[nH]c(=O)c2ccccc12 2653118 KWWWVADMRWCWTL-UHFFFAOYSA-N 357.369 3.968 0 40 FHAB COc1ccc(Cl)cc1NC(=O)c1nnn(-c2cccc(F)c2)c1C 2715820 VSVHQOHAGPXJMZ-UHFFFAOYSA-N 360.776 3.629 0 40 FHAB O=C(N[C@@H](NCc1ccco1)C(Cl)(Cl)Cl)c1cccs1 19316238 PBJJCGADGVVDSB-LLVKDONJSA-N 353.658 3.557 0 40 FHAB Cc1ccc(C(C)C)c(OC[C@@H](O)CN2C(C)(C)CC(O)CC2(C)C)c1 6008999 GJCVAFLZCCMJTM-SFHVURJKSA-N 363.542 3.872 0 40 FHAB Nc1c(Br)cc2oc(-c3cccnc3)nc2c1Br 6276657 FJVZTGVJNWFHKS-UHFFFAOYSA-N 369.016 3.997 0 40 FHAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)C2CCN(C(=O)c3ccoc3)CC2)o1 47644081 CKKNHFKRDOBCDE-KSSFIOAISA-N 370.449 3.507 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1cccc2ccccc12 7653933 KRPOJVIIKOKDEG-UHFFFAOYSA-N 368.458 3.651 0 40 FHAB COc1ccc2[nH]c(C)c(CCN3C(=O)OC4(CCCCC4)[C@@]3(C)O)c2c1 970260 AFMHFTYHDQLEPJ-HXUWFJFHSA-N 372.465 3.891 0 40 FHAB COCCNCc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 8469137 GRSJVMFIVWUQHI-UHFFFAOYSA-N 353.821 3.803 0 40 FHAB Cc1cccc(N(CCCC(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)c1 8558352 XVFKGUKUWQSEDO-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB CSc1nc(C)c(CCC(=O)N(C)c2ccc3ccccc3c2)c(=O)[nH]1 54640732 XZKVWQISMSQWQO-UHFFFAOYSA-N 367.474 3.549 0 40 FHAB CCOc1cc2c(cc1NS(=O)(=O)c1ccc(C)c(C)c1)O[C@H](C)C2 12584374 WGCKUADOTVWMQH-CQSZACIVSA-N 361.463 3.826 0 40 FHAB Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1cccnc1 55593089 UOTFYYQLRCRSJL-GJZGRUSLSA-N 351.450 3.760 0 40 FHAB O=C1N/C(=C/c2ccsc2)C(=O)N1Cc1ccc(Br)cc1 9260754 NNDJYEGIUHJNEW-NTUHNPAUSA-N 363.236 3.604 0 40 FHAB CCC(=O)c1ccsc1NC(=O)C[C@H]1Nc2cc(C)c(C)cc2NC1=O 9871063 QERRGTKZZMXXKU-OAHLLOKOSA-N 371.462 3.719 0 40 FHAB O=C(NCc1nncn1-c1ccccc1)c1cc2c(s1)CCCCC2 47930476 FBWGAVANDCADAL-UHFFFAOYSA-N 352.463 3.528 0 40 FHAB O[C@H](CNCc1csc(-c2ccsc2)n1)c1ccc(F)c(F)c1 58161358 JWHHFNTYLMWINJ-OAHLLOKOSA-N 352.431 3.973 0 40 FHAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc2nncn2c1 58281779 FPLIRNRLRSFPSW-UHFFFAOYSA-N 355.810 3.759 0 40 FHAB C[C@H]1CCCN(c2ncc(-c3cccc(F)c3)c(-c3nccn3C)n2)C1 57775447 GTAJMUYFHLGJIB-AWEZNQCLSA-N 351.429 3.920 0 40 FHAB CCCCN1CNc2c(c(=O)[nH]c(=S)n2-c2ccccc2Cl)C1 20567601 LTRFVAJCEBJTQE-UHFFFAOYSA-N 350.875 3.534 0 40 FHAB CC(C)n1c(SCc2noc(C(C)(C)C)n2)nc2ccccc2c1=O 28011250 FTQXVYBYERZNSQ-UHFFFAOYSA-N 358.467 3.950 0 40 FHAB COc1ccc(C(=O)NC(=S)Nc2ccc3ccccc3c2)c(OC)c1 57313607 YGWBPRXFLHQHGW-UHFFFAOYSA-N 366.442 3.984 0 40 FHAB COc1cccc(CN(C)C(=O)c2oc3ccccc3c2C[S@@](C)=O)c1 72295249 WVEMJSVERMBQJE-SANMLTNESA-N 371.458 3.592 0 40 FHAB CCc1cccc(CC)c1NC(=O)COC(=O)c1[nH]c(C)c(C(C)=O)c1C 3321685 JRWWQLCLUOGUCM-UHFFFAOYSA-N 370.449 3.754 0 40 FHAB CCOc1ccc(C(=O)OCc2ccc(C(=O)OC)cc2)cc1OCC 3341904 ULWPDUPGYHWOLB-UHFFFAOYSA-N 358.390 3.628 0 40 FHAB CC(C)[C@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1cccs1 10853228 WVDCCWLKSBPPTI-IBGZPJMESA-N 370.474 3.524 0 40 FHAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)F)cc1 12806993 FHJBCOQQQIUUPC-UHFFFAOYSA-N 360.404 3.682 0 40 FHAB CCOC(=O)c1ccsc1NC(=O)CN1c2ccccc2CC[C@@H]1C 11193083 GSMUGDSAVTUSOP-ZDUSSCGKSA-N 358.463 3.705 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)c1cccc(OCc2cscn2)c1 12852458 BOXMPQVXTLCVHX-UHFFFAOYSA-N 354.387 3.703 0 40 FHAB CC[C@]1(C)Cc2c(sc3nc(SC)nc(NCCOC)c23)CO1 2448027 POQDGEBZYVKQNJ-MRXNPFEDSA-N 353.513 3.713 0 40 FHAB COc1ccc(O[C@@H](C)C(=O)N[C@@H](c2ccccc2)C(F)(F)F)cc1 59301632 AFXDERATUSUJTD-LRDDRELGSA-N 353.340 3.882 0 40 FHAB O=C(NCC(F)(F)F)c1cccc(NC(=O)c2cccc(Cl)c2)c1 11447454 QGSKGFIOTGJHSG-UHFFFAOYSA-N 356.731 3.884 0 40 FHAB Fc1ccc2sc(CCNc3ncc(Br)cn3)nc2c1 84459486 KSFXOXBQBZUPTJ-UHFFFAOYSA-N 353.220 3.643 0 40 FHAB COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CCOC1 60351124 PBUJJHXYOQDKPP-FXAWDEMLSA-N 353.462 3.692 0 40 FHAB COc1ccc(OCC(=O)N(Cc2ccc(F)cc2)c2ccccn2)cc1 11915878 YMWJGHDGBOXQTJ-UHFFFAOYSA-N 366.392 3.842 0 40 FHAB COc1ccccc1CN(C(C)=O)c1ccc(N2CCOCC2)c(Cl)c1 4083437 LURBJSLUSVXNAB-UHFFFAOYSA-N 374.868 3.738 0 40 FHAB OCCCNc1nc(-c2ccccc2)c2cc(Br)ccc2n1 4118117 CQLQCMMIUIQUQT-UHFFFAOYSA-N 358.239 3.854 0 40 FHAB O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 84525454 SUHRNQJESGUAHW-IPMKNSEASA-N 364.445 3.860 0 40 FHAB O=C(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 49701131 OJBDQHONFBROOM-UHFFFAOYSA-N 369.895 3.685 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 5127274 LSVCVZAWSVQZNN-HIGJEIRPSA-N 353.462 3.724 0 40 FHAB COc1ccc(CN(C)[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc1 5261976 YKVYEYFYNDRIIA-IERDGZPVSA-N 352.478 3.709 0 40 FHAB O=C(O[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cncc2ccccc12 96012720 MDNXWRBWGUGCOB-IBGZPJMESA-N 364.376 3.551 0 40 FHAB O=C([C@@H]1CC=CCC1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 22283534 VVKPXNURAGQLAS-GOSISDBHSA-N 373.456 3.808 0 40 FHAB C[C@H]1CCCN(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)C1 6532152 JDKUPEQTEYRKLX-HNNXBMFYSA-N 370.522 3.554 0 40 FHAB CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)c1ccccc1 5693052 YOIRUKWPQSABBD-UHFFFAOYSA-N 363.417 3.799 0 40 FHAB O=C(c1cc2c(=O)n3ccccc3nc2s1)N1CCC[C@H]2CCCC[C@H]21 6865099 LPJVWKXRNPXGQA-UKRRQHHQSA-N 367.474 3.704 0 40 FHAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 67090388 JQDJYETWCMUFIP-UHFFFAOYSA-N 361.316 3.500 0 40 FHAB Cc1ccc(-c2n[nH]cc2CNC[C@@H]2CCN(c3ccc(F)cc3)C2)o1 67253359 WOBVNLRYBUJSKT-HNNXBMFYSA-N 354.429 3.733 0 40 FHAB Cc1ccc(N2CCN(C(=O)c3cc(-c4cccs4)[nH]n3)CC2)c(C)c1 15680542 AMPSKUAHYHAPOC-UHFFFAOYSA-N 366.490 3.717 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)Cc1coc2cc(C)ccc12 7778672 LTVCURXYAMNGKF-UHFFFAOYSA-N 352.390 3.889 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc(-c3ccccc3)n[nH]2)c1C 7763936 AZYDCBBQRAYTED-ZDUSSCGKSA-N 368.462 3.983 0 40 FHAB COc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c(OC)c1 16147540 HEHJUMATFRZTQC-UHFFFAOYSA-N 361.341 3.523 0 40 FHAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccccc1-c1ccccc1 7814887 GLMFZQIBXKFUHC-UHFFFAOYSA-N 355.397 3.702 0 40 FHAB Cc1nc2ccc(C(=O)O[C@H](C)C(=O)NC3CCCCCC3)cc2nc1C 7840542 YWJYHPJRYXCFTG-OAHLLOKOSA-N 369.465 3.631 0 40 FHAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N[C@@H](C)c1ccc(F)cc1 7904322 QVYVQIYHCNTHOD-RYUDHWBXSA-N 374.485 3.988 0 40 FHAB CCOCc1c(C(=O)NCCCn2nc(C)cc2C)oc2ccccc12 7981013 CJMSFWIRPOWOTR-UHFFFAOYSA-N 355.438 3.603 0 40 FHAB O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1ccc2c(c1)CCC2 7903680 BIGJMHJDZUWODY-UHFFFAOYSA-N 354.479 3.710 0 40 FHAB CCc1c(C)sc(NC(=O)c2ccc(Br)s2)c1C(N)=O 28225816 CQUCVLKBIYETBW-UHFFFAOYSA-N 373.297 3.794 0 40 FHAB CC(=O)c1ccc(OCc2ccc(C(=O)Nc3nc(C)cc(C)n3)o2)cc1 27976732 GMEUNLVQBRYMEB-UHFFFAOYSA-N 365.389 3.720 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(OC)c1 20049837 VPTGONRTJBIYTP-CABCVRRESA-N 370.449 3.630 0 40 FHAB NC(=O)Nc1cccc2c1CCCN2Cc1cc(Br)cs1 95973196 LMZFCGNNEVXGOL-UHFFFAOYSA-N 366.284 3.954 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)OCc2nc(-c3ccccc3C)no2)c1C 9909941 DDFNDHJMBJEFBS-UHFFFAOYSA-N 353.378 3.550 0 40 FHAB CC(C)c1ccc(CCC(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 76022053 RBAIBUWTFGHYFM-OALUTQOASA-N 365.539 3.557 0 40 FHAB CCOc1ccc(CN(C)C(=O)C2(c3ccc(F)cc3)CC2)cc1OC 23038595 SEKJUEDJPZGYJG-UHFFFAOYSA-N 357.425 3.923 0 40 FHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1c2ccccc2Oc2ccccc21 24151986 IFKZBPGFPZIOSQ-UHFFFAOYSA-N 357.369 3.733 0 40 FHAB COc1cc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 26577097 DUESHOUIPOUGCU-BQYQJAHWSA-N 360.406 3.909 0 40 FHAB COc1cccc([C@@H](C)NC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 36614016 ZENVMJPBVSZTAX-LLVKDONJSA-N 351.406 3.908 0 40 FHAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)COc1ccc(OC)cc1 219588822 ILNLMAVBRDMKDO-JXFKEZNVSA-N 357.450 3.745 0 40 FHAB COc1ccc(CCCNC(=O)[C@@H](C)Oc2ccccc2C)cc1OC 219288601 RIFNNBUHMBTVMK-MRXNPFEDSA-N 357.450 3.529 0 40 FHAB COc1ccc(CN(C)C(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 219847965 VPIVFMOOTPCQLQ-UHFFFAOYSA-N 352.478 3.879 0 40 FHAB Cn1c(C(C)(C)C)nc2cc(N[C@H]3CCCC[C@H]3S(C)(=O)=O)ccc21 180063062 IXQORAOOLVRZCD-WMLDXEAASA-N 363.527 3.639 0 40 FHAB CCOC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)o2)c1 39762415 VOWHUWHJCSLRMQ-UHFFFAOYSA-N 352.350 3.557 0 40 FHAB CC1=C(C(=O)OCc2ccccc2)[C@@H](/C=C\c2ccccc2)NC(=S)N1 33458389 CEIOUFLRAGIKIY-MENFKHAKSA-N 364.470 3.564 0 40 FHAB Cc1cc(OCC(=O)n2c(C)c(C(N)=O)c3ccccc32)ccc1Cl 216750195 LJWFHPMYYZKHBG-UHFFFAOYSA-N 356.809 3.730 0 40 FHAB O=C(c1cc(F)c(F)c(F)c1)c1ccccc1I 43210244 DAJZKYIEMMEQAQ-UHFFFAOYSA-N 362.088 3.940 0 40 FHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSc1ccccc1 225453610 NCXHHILYEFLFMY-QGZVFWFLSA-N 370.518 3.721 0 40 FHAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc3c(c2)OCO3)cc1C 225789826 MTEKYDMSFJRYLV-AWEZNQCLSA-N 358.463 3.786 0 40 FHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C 225012524 BMMFMBJZJZOERF-RBUKOAKNSA-N 354.523 3.952 0 40 FHAB CCO[C@](C)(CC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 225816455 ZSFWTSSLEUITNX-BFUOFWGJSA-N 351.443 3.794 0 40 FHAB C[C@@H]1CCCN([C@H](C)CNc2cc(C(=O)NC3CC3)c3ccccc3n2)C1 195666982 WUIWBBNAEYYXBX-HZPDHXFCSA-N 366.509 3.659 0 40 FHAB O=C(NCCc1ccccc1F)C1CCN(Cc2cccc(F)c2)CC1 47936080 DEKUNGXAXHWOIO-UHFFFAOYSA-N 358.432 3.536 0 40 FHAB Cc1ccc(SCCC(=O)NCc2nc(-c3ccccc3)no2)cc1 44778889 WKEZFPNOLPLCLQ-UHFFFAOYSA-N 353.447 3.844 0 40 FHAB O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CC(=O)N(c2ccccc2)C1 45715927 LJAFNEGPWXJLFN-GFCCVEGCSA-N 369.471 3.863 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCC(C)(C)CO3)cc1 142379568 JWXPIORHSVFXKH-UHFFFAOYSA-N 369.417 3.913 0 40 FHAB C[C@H]1C[C@H](Nc2ncnc3c2ncn3C2CC2)CCN1Cc1ccccc1 576452560 LOGZMGVEISSRBK-DOTOQJQBSA-N 362.481 3.626 0 40 FHAB COc1ccc(C[C@H](C)C(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)cc1 535479956 MRBCPBGIBPMPMJ-LBPRGKRZSA-N 370.840 3.951 0 40 FHAB O=C(Nc1nnc(Cc2cccc(Br)c2)s1)c1ccco1 98086576 OLWQMEIKQMSRPM-UHFFFAOYSA-N 364.224 3.737 0 40 FHAB CNC(=O)C[C@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 96052582 GZWRRZOWKBNNGM-SFHVURJKSA-N 366.480 3.983 0 40 FHAB CC(C)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1ccc(F)cc1 257270797 MVRWVPWIWYKSKM-FXAWDEMLSA-N 367.461 3.991 0 40 FHAB Cc1cccnc1[C@@H](NC(=O)N1CCOC[C@H]1c1ccccc1)C(C)C 363291840 RMPNOXBSYKIQLO-OALUTQOASA-N 353.466 3.870 0 40 FHAB O=C(CSCc1cccnc1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2 598123171 GIYIRQPAXMZALN-ROUUACIJSA-N 368.502 3.916 0 40 FHAB Cn1ncc(C(F)(F)F)c1CNC(=O)N[C@@H]1CCCC12CCCCC2 624329249 QVRSSCKEODFTCI-CQSZACIVSA-N 358.408 3.741 0 40 FHAB CC(C)c1ccc(C(=O)N2CCCN(C(=O)c3ccsc3)CC2)c(O)c1 299019079 VCMCEPAWLHDMSN-UHFFFAOYSA-N 372.490 3.565 0 40 FHAB CC(C)C(=O)Nc1nc(CC(=O)N2CCC[C@H]2C2CCCCC2)cs1 55600731 FLCCNPOGIBZTNL-INIZCTEOSA-N 363.527 3.851 0 40 FHAB COc1ccccc1CNC(=O)CCc1ncc(-c2ccc(F)cc2)o1 11460717 GFPSESDFPGQVJQ-UHFFFAOYSA-N 354.381 3.738 0 40 FHAB CCCn1ncc(C(=O)N2CCC(c3nc(C)c(C(C)=O)s3)CC2)c1C 12186142 SRQFLAXLMSTCQJ-UHFFFAOYSA-N 374.510 3.589 0 40 FHAB CC(C)n1cc(C(=O)N2[C@H]3CC[C@H](C3)[C@@H]2COc2ccc(F)cc2)cn1 12220631 SIZLQLKLMQSUJX-LJHODMEESA-N 357.429 3.675 0 40 FHAB CCOc1ccccc1NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 15657240 QWKPCLYPDZZCKW-UHFFFAOYSA-N 367.449 3.968 0 40 FHAB Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2Cl)on1 19120033 BYRLDPNAQGOKPE-INIZCTEOSA-N 370.840 3.689 0 40 FHAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)[C@@H](C)Cn2ccnc2C)n1 19240116 KPCSDJINZPLHGE-BLLLJJGKSA-N 374.535 3.754 0 40 FHAB CC(C)Cc1cc(C(=O)N[C@H](c2ccncc2)c2cccs2)n(C)n1 19447457 BACSAEXERKMCCE-GOSISDBHSA-N 354.479 3.595 0 40 FHAB Cc1cc(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c(C)n1C 6087288 DUFVJRPWTSTRMU-UHFFFAOYSA-N 364.232 3.542 0 40 FHAB Cc1cc(OC[C@@H]2CCCN(c3nccn4nc(C5CC5)cc34)C2)ccn1 1888890113 SMZHIPVYLKIXDX-MRXNPFEDSA-N 363.465 3.606 0 40 FHAB Cc1cc(NC(=O)c2ccc3nc(C(C)(C)C)cn3n2)n(-c2ccccc2)n1 1888928792 DUEQVHAOXDDWBO-UHFFFAOYSA-N 374.448 3.773 0 40 FHAB NC(=O)Cc1ccc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1 24489404 AJHBUFYRQMVIFU-UHFFFAOYSA-N 371.849 3.744 0 40 FHAB Cc1cccc(C(=O)N2CCC[C@](O)(COc3ccc(C)c(C)c3)C2)c1 2037912875 AVGIBEWKKCRGHA-JOCHJYFZSA-N 353.462 3.658 0 40 FHAB COc1ccc(OC)c(-c2ccc(=O)n(Cc3ccccc3Cl)n2)c1 5409644 BVTNXFGJSBOHPE-UHFFFAOYSA-N 356.809 3.629 0 40 FHAB CCC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(C)c(C)c3)ccc21 17248137 CMHSFDRAQWTCQF-UHFFFAOYSA-N 372.490 3.793 0 40 FHAB CSc1ccccc1NC(=O)C(=O)NCc1cc(-c2ccco2)cs1 1775969043 UWVZJVSAJSTTQY-UHFFFAOYSA-N 372.471 3.985 0 40 FHAB Cc1cc(OC[C@@H]2CCCN(C(=O)c3nccc4ccccc34)C2)ccn1 1775970316 BJMZCKIJZYSNMN-QGZVFWFLSA-N 361.445 3.869 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)N1CC(Oc2nc3ccccc3s2)C1 206657447 WVIDCUAVBPLOGO-UHFFFAOYSA-N 363.442 3.610 0 40 FHAB COC(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)c2cccs2)cc1 585146810 SOUCIOYARDMSQJ-HNNXBMFYSA-N 355.415 3.690 0 40 FHAB O=C(CCS(=O)(=O)C1CCCC1)N[C@H](c1cccs1)C1CCCC1 40134278 DJJNONOQGKHPLM-SFHVURJKSA-N 369.552 3.843 0 40 FHAB CCOc1ccccc1N1CCN(C(=O)CCNc2ccccc2C)CC1 40160356 BFFRCSSRAATVHH-UHFFFAOYSA-N 367.493 3.545 0 40 FHAB CCOc1cc(C=O)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 100225551 VMBCQDUHSOHVOB-IERDGZPVSA-N 359.466 3.704 0 40 FHAB O=c1c2oc3ccccc3c2ncn1C[C@H](O)c1ccc(C(F)(F)F)cc1 51283479 IXBNDGNOTQVGKF-AWEZNQCLSA-N 374.318 3.895 0 40 FHAB CN1C(=O)C[C@@H](C(=O)Nc2ccccc2Br)[C@@H]1c1ccccc1 20736926 FKSZVNCDGMBMRK-DYVFJYSZSA-N 373.250 3.607 0 40 FHAB O=C(NC[C@@H]1C[C@H]2C=C[C@H]1C2)c1nc(-c2ccc(C(F)(F)F)cc2)no1 101514174 GZIOJCIAUDZBNW-DRZSPHRISA-N 363.339 3.697 0 40 FHAB CCC[C@H](NC(=O)NCc1ccc(Cn2cncn2)cc1)c1ccccc1 32795258 HQTYBANKHMYYGK-FQEVSTJZSA-N 363.465 3.667 0 40 FHAB COc1ccc(CNC(=O)CCCSc2ccc(Cl)cc2)cn1 32873805 ZPZODLACRZXHON-UHFFFAOYSA-N 350.871 3.932 0 40 FHAB C[C@@H]1Oc2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2NC1=O 21601124 GBVRTGUXKVCWQC-ZETCQYMHSA-N 352.724 3.590 0 40 FHAB Cc1cc(C)n(-c2cccc(NC(=O)c3cncc(Br)c3)c2)n1 32915510 MDNCJOUUPBDOJB-UHFFFAOYSA-N 371.238 3.899 0 40 FHAB O=C(NCc1ccc(C(=O)N2CCCCCC2)cc1)c1cc(Cl)c[nH]1 41380652 UMMRQPVVMBHZDT-UHFFFAOYSA-N 359.857 3.614 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)c1ccc(CSc2nnnn2C)cc1 625014 NTJBKXNUEUVWDK-UHFFFAOYSA-N 373.869 3.717 0 40 FHAB CS[C@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 47187610 ADVWVIYWXUUYHX-PBHICJAKSA-N 360.548 3.715 0 40 FHAB CC(C)[C@@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)c2ccccc2C1=O 715346 WFBNXZWCTSYSPW-INIZCTEOSA-N 356.809 3.599 0 40 FHAB CC(C)OC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2N)cc1 1789688 OBNOYLCAZJDVQF-UHFFFAOYSA-N 368.462 3.516 0 40 FHAB CCc1ccc(NC(=O)CSCC(=O)Nc2ccccc2OC)cc1 1980661 VLAVSKPKOPMAKF-UHFFFAOYSA-N 358.463 3.568 0 40 FHAB CCCC(=O)Nc1nnc(SCC(=O)Nc2ccc(Cl)cc2)s1 1381704 SWSIWXBCOFEWTK-UHFFFAOYSA-N 370.887 3.661 0 40 FHAB COC(=O)Cc1c(C)c2ccc(OCc3cccc(F)c3)cc2oc1=O 2152082 JPOOVTCUPKBXOQ-UHFFFAOYSA-N 356.349 3.535 0 40 FHAB biogenic Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)N1C[C@H](C)O[C@H](C)C1 47716998 AHRQFUQXEORHNM-IYBDPMFKSA-N 373.497 3.699 0 40 FHAB CC(C)c1ccc(OCC(=O)Nc2ccccc2N2CCCC2=O)cc1 9657018 PZISRCFZEZSVGO-UHFFFAOYSA-N 352.434 3.954 0 40 FHAB CCc1oc2ccccc2c1CN(C)CN1C(=O)NC2(CCCCC2)C1=O 23718736 BEQSFSSMZNGWEH-UHFFFAOYSA-N 369.465 3.639 0 40 FHAB CS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)cc1 6558114 KDDVHTXKSMAIRD-UHFFFAOYSA-N 365.454 3.937 0 40 FHAB COc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1F 24002206 LKFKXRULLSTYMC-MRXNPFEDSA-N 357.381 3.583 0 40 FHAB CN(Cc1ccco1)Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 24573601 ZRVLUVFIMCFVBL-UHFFFAOYSA-N 362.842 3.669 0 40 FHAB Cc1ccc(N2C(=O)N(CCOc3ccccc3Cl)C(=O)[C@@H]2C)cc1 8637914 FPOGKLBUILEMCM-AWEZNQCLSA-N 358.825 3.885 0 40 FHAB CC1CCC(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)CC1 8985855 YWZVDMQTRKDHNW-UHFFFAOYSA-N 363.508 3.694 0 40 FHAB Cc1ccc(NC(=O)c2cn(-c3ccc(Br)cc3)nn2)cc1 24840439 ASEJOZLAELIRHF-UHFFFAOYSA-N 357.211 3.591 0 40 FHAB O=C(Nc1ccncc1)c1cc(Br)c(Br)s1 12538132 IOTBTHZLHKGJQY-UHFFFAOYSA-N 362.046 3.920 0 40 FHAB O=C(Nc1nc2c(s1)CCCCCC2)[C@H]1CC(c2ccccc2)=NO1 95369455 NLLDYBPPLQSODI-MRXNPFEDSA-N 355.463 3.934 0 40 FHAB O=C(Cc1cn2ccsc2n1)Nc1ccc(N2CCCCCC2)cc1 12556769 ZVYXUJWTNIKJCQ-UHFFFAOYSA-N 354.479 3.957 0 40 FHAB CCOc1ccc([C@@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)OC3)cc1 1431764 QKRADUFFWRJSQG-KRWDZBQOSA-N 367.376 3.556 0 40 FHAB COc1ccc(CCNCc2c[nH]nc2-c2ccc(F)cc2)cc1OC 24984034 LZXVGZXWVAJCTE-UHFFFAOYSA-N 355.413 3.565 0 40 FHAB COc1ccccc1N1CCN([C@@H](C)c2nnc(-c3cccs3)o2)CC1 57452138 OOHPUEPBSRSSHQ-AWEZNQCLSA-N 370.478 3.690 0 40 FHAB C[C@H](c1ccc(F)c(Cl)c1)N1CCC(C(=O)Nc2cnccn2)CC1 58172461 RKPUKCHZOHDUPX-GFCCVEGCSA-N 362.836 3.681 0 40 FHAB Cc1ccc(C(=O)C2CCN(CC(=O)Nc3cccc(F)c3)CC2)c(C)c1 26639371 IWKBXEZJDQZITG-UHFFFAOYSA-N 368.452 3.976 0 40 FHAB CCCn1c(=O)n(C[C@H](O)c2ccccc2C(F)(F)F)c2ccccc21 58354636 ZCBJWYFNLXJABE-KRWDZBQOSA-N 364.367 3.965 0 40 FHAB C[C@@H](Sc1nnc(Cc2ccccc2)o1)C(=O)N1CCc2ccccc21 21134352 ZTRYEBNUXQEVIE-CQSZACIVSA-N 365.458 3.730 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3cccs3)o2)c1C 3384730 FGSCNYHGXNKHMB-UHFFFAOYSA-N 361.448 3.921 0 40 FHAB Cc1oc(-c2cccs2)nc1C(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2 46206580 JWVMLULJHROAFT-SNVBAGLBSA-N 367.430 3.697 0 40 FHAB C[C@@H]1CCc2c(sc(NC(=O)c3cnccn3)c2C(=O)c2ccco2)C1 48345203 PGZIZCCQOYUZDF-LLVKDONJSA-N 367.430 3.739 0 40 FHAB Cc1cc(C(=O)CSc2nnc(C)n2Cc2ccccc2)c(C)n1C 2726517 YQPFMPIZXVPOII-UHFFFAOYSA-N 354.479 3.565 0 40 FHAB CCOc1ccc(NC(=O)Cn2c(-c3cccs3)n[nH]c2=S)cc1 12860477 GEEXWSHYNCPQLH-UHFFFAOYSA-N 360.464 3.707 0 40 FHAB COc1ccc(C(C)=O)cc1CN1C(=O)[C@H](C)N(c2ccc(C)cc2)C1=O 3411557 RRXQGLXKKKTTQB-AWEZNQCLSA-N 366.417 3.564 0 40 FHAB CCc1ccc(CNC(=O)Nc2cc(C(=O)NC)ccc2Cl)s1 48500698 JXCOESGWQPPMOH-UHFFFAOYSA-N 351.859 3.645 0 40 FHAB Cc1cc(Cl)ccc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 13039143 QMZYROJQZRBIRP-UHFFFAOYSA-N 353.809 3.557 0 40 FHAB O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 9059986 UFCSXUARUQLKTR-MRXNPFEDSA-N 361.854 3.742 0 40 FHAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc2ccccc2c1 14123605 DCIJLEOBXNEMSW-UHFFFAOYSA-N 360.457 3.602 0 40 FHAB Cc1ccccc1/C=C/c1nc(SCC(=O)N[C@H](C)c2ccco2)n[nH]1 14139106 FLAFJYREOSZBDI-ATWMFIQVSA-N 368.462 3.846 0 40 FHAB COc1ccc([C@@H](CNC(=O)c2ccccc2Cl)N2CCCC2)cc1 14140705 QHAPNGLKGXBEHN-LJQANCHMSA-N 358.869 3.916 0 40 FHAB biogenic CCN(CC(=O)NCc1cccs1)C(=O)c1oc2ccc(F)cc2c1C 14137114 GKHPNJCBAVEJTI-UHFFFAOYSA-N 374.437 3.720 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1Cl 14163981 ZHANXYFYMMDVCR-VZUCSPMQSA-N 358.825 3.702 0 40 FHAB CCCc1ccc(S(=O)(=O)NCCc2cccc3cccnc23)cc1 14165737 ZTVLFXKONZKQFU-UHFFFAOYSA-N 354.475 3.708 0 40 FHAB C[S@](=O)c1ccc(C(=O)Nc2cccc(Cl)c2-n2cccn2)cc1 65605697 NGZNXSOPCYFHPY-XMMPIXPASA-N 359.838 3.515 0 40 FHAB CC(C)(C)c1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(N)=O)cc1 4526239 GNYSATNYWIKLSQ-ATVHPVEESA-N 356.853 3.894 0 40 FHAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c(C)c1 14253903 ZKICGWNTXNSJSJ-UHFFFAOYSA-N 372.490 3.649 0 40 FHAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1N1CCCC1=O 14671476 CJUBKUVRCMUJQC-ZDUSSCGKSA-N 358.825 3.873 0 40 FHAB CCN(CC)[C@@H](CNS(=O)(=O)c1cccs1)c1ccccc1Cl 14633322 PQMFBTNNUXNYNT-HNNXBMFYSA-N 372.943 3.763 0 40 FHAB Cc1c(CC(=O)NCc2cccc(Cl)c2)c(=O)oc2c(C)c(O)ccc12 4742750 PPOKLDMPLKJVNM-UHFFFAOYSA-N 371.820 3.628 0 40 FHAB CCc1ccc(C(=O)N[C@@H](C(=O)N[C@H](C)c2ccccc2)C(C)C)cc1 4704022 DEMYXXGSTIGWSR-OXQOHEQNSA-N 352.478 3.881 0 40 FHAB CCc1ccc(C(=O)N[C@H](C(=O)N[C@@H](C)c2ccccc2)C(C)C)cc1 4704019 DEMYXXGSTIGWSR-JXFKEZNVSA-N 352.478 3.881 0 40 FHAB CCCNC(=O)N(Cc1nc(-c2ccc(OC)cc2)no1)C1CCCCC1 6744000 KZQHYRFUMNCHMS-UHFFFAOYSA-N 372.469 4.000 0 40 FHAB CCC1=C(C(=O)OC)[C@H](c2ccc(Cl)cc2)n2nc(SC)nc2N1 6850961 IANCPVXCJNRCGG-ZDUSSCGKSA-N 364.858 3.505 0 40 FHAB CC(C)(C)c1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 6906428 VMYVMQCNHSRSTC-UHFFFAOYSA-N 350.418 3.890 0 40 FHAB Cc1ccnc2nc(C(=O)N[C@@H](C)c3ccc(Oc4ccccc4)cc3)nn12 72065688 PGGULGFTGQKEGT-HNNXBMFYSA-N 373.416 3.716 0 40 FHAB COCc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 15567325 DXBMAXDGGQTHLU-GOSISDBHSA-N 353.418 3.582 0 40 FHAB COc1ccc(NC(=O)CN2CCCSc3ccccc32)c(OC)c1 7274501 LBBDACGJKRZGFD-UHFFFAOYSA-N 358.463 3.645 0 40 FHAB CCCOc1c(Cl)cc(C(=O)Nc2nnc(CC)s2)cc1OC 7347564 YNCFZWYXIWHQSA-UHFFFAOYSA-N 355.847 3.804 0 40 FHAB COc1ccc(OC)c(COC(=O)c2ccc(-n3nccc3C)cc2)c1 7545587 QTFRJHFYRNLOHX-UHFFFAOYSA-N 352.390 3.555 0 40 FHAB CCN(CC)C(=O)c1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1 7922364 JRZVHGDXMFLERH-UHFFFAOYSA-N 350.418 3.583 0 40 FHAB CCOc1ccc(S(=O)(=O)NCc2cccs2)cc1C(C)(C)C 8132943 QYFCRKPWCLPKJJ-UHFFFAOYSA-N 353.509 3.923 0 40 FHAB O=C(NCC(=O)N1CCCCCC1)c1sc2ccccc2c1Cl 8181497 HZZAOENCLMPGPY-UHFFFAOYSA-N 350.871 3.687 0 40 FHAB CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)[C@@H]2CCOC2)cc1 69358870 GYPWHEZLBIIBHE-CQSZACIVSA-N 358.825 3.592 0 40 FHAB C[C@@H]1CCc2c(sc(NC(=O)c3cc4c(s3)CCC4)c2C(N)=O)C1 8324946 KHUIKXFGKYUQLT-SECBINFHSA-N 360.504 3.774 0 40 FHAB Cn1cccc1[C@@H]1CCCN1C(=O)NCc1ncc(-c2ccccc2)o1 71806475 YPVFGOGTWXAFCJ-KRWDZBQOSA-N 350.422 3.727 0 40 FHAB Cc1cccc(OCc2nn(CC(=O)Nc3ccccc3F)c(=S)o2)c1 409150158 AOLDZWZEGGDZIA-UHFFFAOYSA-N 373.409 3.871 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(-c2ccccc2)[nH]n1 408713271 QXDJZFMJUXWERP-UHFFFAOYSA-N 363.826 3.540 0 40 FHAB CCOc1ccc(CNC(=O)C(=O)Nc2ccccc2C(C)(C)C)cc1 408708737 LVILGDFOUWPNOG-UHFFFAOYSA-N 354.450 3.638 0 40 FHAB O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@H]2CN(C3CCC3)C[C@@H]21 306143945 YRKUXILSNJBNQT-QUCCMNQESA-N 357.450 3.600 0 40 FHAB CCOc1ccc(N2C(=O)/C(=C/c3ccc(C)cc3)N(C)C2=S)cc1 409037557 NXMSUTVKBDJTAD-AQTBWJFISA-N 352.459 3.998 0 40 FHAB Cc1ccc(COc2ccc(-c3nnc(N)o3)cc2Br)cc1 216816570 ZVXKKOJHZZPVMA-UHFFFAOYSA-N 360.211 3.969 0 40 FHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)COc1ccc(OC)cc1 219588899 ILNLMAVBRDMKDO-OXQOHEQNSA-N 357.450 3.745 0 40 FHAB CCc1ccc(OCCS(=O)(=O)Nc2nc3ccccc3s2)cc1 70637853 MOTUUTYOTKXFCQ-UHFFFAOYSA-N 362.476 3.679 0 40 FHAB COc1cc(OC)cc(C(=O)N[C@H](C)c2ccc(-n3cccc3)cc2)c1 32610539 UWKACVCNYLLBCF-OAHLLOKOSA-N 350.418 3.986 0 40 FHAB O=S(=O)(c1cccc(Cl)c1F)N1CCCc2cc(F)c(F)cc21 32433646 ISOGMOGLFIMTDV-UHFFFAOYSA-N 361.772 3.899 0 40 FHAB COc1ccc(F)cc1[C@@H](O)CN1CCC[C@H](c2nc3ccccc3[nH]2)C1 36743865 FFQFCTWXWGLSBF-LIRRHRJNSA-N 369.440 3.624 0 40 FHAB Cn1nccc1C1CCN(C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 187450961 ICXLNJPYHXOVBB-UYAOXDASSA-N 366.509 3.721 0 40 FHAB COC(=O)c1cccc(NC(=S)NCCSCc2ccco2)c1C 225347900 BHLGNGZMYJUFQM-UHFFFAOYSA-N 364.492 3.594 0 40 FHAB Cc1cc(Nc2ccccc2C(=O)O)nc(Nc2ccc(C(=O)O)cc2)n1 89469956 YLQUKPVGUGPRIK-UHFFFAOYSA-N 364.361 3.669 0 40 FHAB Cc1cc2n(CCNC(=O)NC(c3ccccc3)c3ccccc3)ccn2n1 225579703 IAFICSRAAXVQHS-UHFFFAOYSA-N 373.460 3.533 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 224656247 FQSUWXKRRWKJKG-LJQANCHMSA-N 366.505 3.789 0 40 FHAB O=C(/C=C/c1ccco1)OC1CN(c2nc3c(F)cc(F)cc3s2)C1 77101437 CGFXPFONCABZGT-ONEGZZNKSA-N 362.357 3.613 0 40 FHAB CCOC(=O)N1CCC2(CC1)CC(=O)c1ccc(C(F)(F)F)cc1O2 225822259 ZZESBYIKFDNWCC-UHFFFAOYSA-N 357.328 3.662 0 40 FHAB COc1ccc(O[C@H](C)C(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 225050511 UJIQAFGFEMFSAP-CYBMUJFWSA-N 369.446 3.928 0 40 FHAB CCc1ccc(N([C@H](C)C(=O)Nc2cc(C)cc(C)c2)S(C)(=O)=O)cc1 220261476 JRRATCKUULTLME-MRXNPFEDSA-N 374.506 3.659 0 40 FHAB CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)NC1CCCCCCC1 95478754 VIHMYQZBLQLVQG-QGZVFWFLSA-N 364.559 3.856 0 40 FHAB O=C(Cc1ccc2c(c1)OCC2)N[C@@H]1CCCc2c1[nH]c1ccc(F)cc21 96117611 UWAIGAMTEKMWCT-LJQANCHMSA-N 364.420 3.978 0 40 FHAB CC(C)(C)OC(=O)NCC1(c2ccccc2C(F)(F)F)CCNCC1 98213758 PBRKUCBAWHOFQP-UHFFFAOYSA-N 358.404 3.851 0 40 FHAB Oc1cc(-c2ccncc2)nc([C@@H]2CCCN(C[C@@H]3CC=CCC3)C2)n1 247851282 HFZXAAXJIWGISF-SJLPKXTDSA-N 350.466 3.780 0 40 FHAB COCCC(=O)N[C@@H]1C[C@H](c2ccc(Cl)cc2)O[C@@H]2CCCC[C@@H]12 257335397 YJYWUBIGOWFEAH-BSDSXHPESA-N 351.874 3.882 0 40 FHAB Cc1cccnc1CN1CCC(c2ccnc(Nc3cnccn3)c2)CC1 257251071 JPHHCUDZXYTLAV-UHFFFAOYSA-N 360.465 3.698 0 40 FHAB O=C(NC1(C(=O)O)CC(F)(F)C1)OCC1c2ccccc2-c2ccccc21 253183338 KOAFADIYZDQTFI-UHFFFAOYSA-N 373.355 3.778 0 40 FHAB O=C(c1cccc(Br)c1)N1CCC(Oc2ccccn2)CC1 90607482 QLAINJWRNVWOSN-UHFFFAOYSA-N 361.239 3.528 0 40 FHAB CC(C)(C)Oc1c(F)cc(NC(=O)NCCc2ccns2)cc1F 1670184105 ZRSBYNGUSMJYNH-UHFFFAOYSA-N 355.410 3.963 0 40 FHAB O=C(Cc1ccc(F)cc1)NC[C@@H](O)c1ccc(-c2cccs2)cc1 1775976990 FLUZXASYRPYEDO-GOSISDBHSA-N 355.434 3.947 0 40 FHAB Cc1ccc(C(=O)N2Cc3cccn3C[C@H](CCNc3ccccn3)C2)o1 585095497 UJHQNLMUEIRMKS-KRWDZBQOSA-N 364.449 3.559 0 40 FHAB O=C(NCCc1cccnc1)c1cc(-c2ccncc2)nc2ccccc12 29652017 NOPYYTVUVFYLJS-UHFFFAOYSA-N 354.413 3.664 0 40 FHAB Cn1ncc(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c1-n1cccc1 33216150 DZUJOPOQYJGBPF-UHFFFAOYSA-N 363.421 3.902 0 40 FHAB CC1([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)CC1 687314297 PIPCRBGGPCPBKS-GOSISDBHSA-N 351.402 3.778 0 40 FHAB Cc1ccc(CNC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 1185367494 GIRIBKIBTWLAIP-UHFFFAOYSA-N 358.869 3.842 0 40 FHAB COc1cccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)c1 5269329 AKMQAQJQPAPANT-UHFFFAOYSA-N 368.820 3.811 0 40 FHAB COc1cccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccccc2Cl)c1 5791521 CYZVJSWNYXMBCY-KRWDZBQOSA-N 371.824 3.615 0 40 FHAB O[C@H](CNC1CCCCCCC1)COCCOc1ccc(Cl)cc1 5867436 ZFAFCMYAUPCOHU-GOSISDBHSA-N 355.906 3.799 0 40 FHAB COc1cc(-c2nc3cnccn3c2NCCc2ccccc2)ccc1O 12113773 XWQBWPNKMOISMZ-UHFFFAOYSA-N 360.417 3.765 0 40 FHAB O[C@H](CN1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 12292075 KSNFOADMXOIHEX-GOSISDBHSA-N 365.395 3.722 0 40 FHAB CC[C@H](C)NC(=O)C1(C[C@@H]2CC(c3ccc(C)cc3)=NO2)CCOCC1 12365665 KKKWOWPEGUHWLH-WMZOPIPTSA-N 358.482 3.590 0 40 FHAB CCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 16601540 ZXSOQIDCLBNHMB-OAHLLOKOSA-N 360.479 3.714 0 40 FHAB COc1cccc(CN2C[C@@H](c3cc[nH]n3)[C@H](c3ccccc3)C2)c1OC 19568094 OSRNHQOTSSDUPX-RBUKOAKNSA-N 363.461 3.810 0 40 FHAB Clc1ccccc1Cc1ccc([C@@H]2CN(c3ncccn3)CCO2)nc1 19692938 GOCMORQIHLYCPO-IBGZPJMESA-N 366.852 3.694 0 40 FHAB COc1ccc(-c2coc3cc(OC(=O)N(C)C)ccc3c2=O)cc1OC 2105169 FDSZPLWXFDYAOH-UHFFFAOYSA-N 369.373 3.538 0 40 FHAB biogenic O=c1[nH]c2ccccc2cc1CN1CCO[C@H](c2ccccc2Cl)C1 111221702 DQLXILVOWIXEQO-IBGZPJMESA-N 354.837 3.755 0 40 FHAB O=C1CCCN1c1ccc(CN2CCC(Oc3ccccc3F)CC2)cc1 19657855 WUQGHJLUEMLJPV-UHFFFAOYSA-N 368.452 3.996 0 40 FHAB Cc1nn(C)c(C)c1CC(=O)Nc1nnc(-c2ccc(C(C)C)cc2)s1 11234059 NHPVPQVZHHZKAD-UHFFFAOYSA-N 369.494 3.860 0 40 FHAB CCc1nnc(NC(=O)CSc2ccc(Br)cc2C)s1 18185340 WNBQFGXLNKNUSB-UHFFFAOYSA-N 372.313 3.902 0 40 FHAB C[C@@H](NC(=O)c1ccc(Cn2ccccc2=O)o1)c1ccccc1Cl 23754135 SQNQHHDZHUVAOT-CYBMUJFWSA-N 356.809 3.634 0 40 FHAB CCSc1nc2c([nH]c3ccccc32)c(=O)n1-c1cccc(OC)c1 3894833 DOHZOSVWNSYDGY-UHFFFAOYSA-N 351.431 3.988 0 40 FHAB Cc1ccc(N2C[C@H](CNC(=O)Nc3ccccc3Cl)CC2=O)cc1 9040505 NNRZRSAXCQRFOG-AWEZNQCLSA-N 357.841 3.823 0 40 FHAB CCC1(CC)O[C@@H](c2ccc(OCC(N)=O)c(OC)c2)Nc2ccccc21 12419040 MTSNNAQPZKJCBD-FQEVSTJZSA-N 370.449 3.716 0 40 FHAB Cc1ccc2oc(=O)c(S(=O)(=O)c3ccc(F)c(Cl)c3)cc2c1 15828719 ZKEQOLDTBLBNQN-UHFFFAOYSA-N 352.770 3.727 0 40 FHAB CSc1ccccc1C(=O)NCc1cc(-c2ccc3c(c2)OCO3)on1 16838618 PXZUYZNCVPDPPS-UHFFFAOYSA-N 368.414 3.722 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)OCc1cc(-c2ccco2)on1 22768981 KVMPHWBOFAGZRI-UHFFFAOYSA-N 350.330 3.650 0 40 FHAB COc1ccc(C(=O)NC[C@H](c2cc3ccccc3o2)N(C)C)cc1F 575620599 LEQIRMXUOBZMKI-MRXNPFEDSA-N 356.397 3.613 0 40 FHAB Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)O)ccc1Cl 13341318 GBVVWYQSGZHNHU-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB O=C(NC[C@H](O)c1cccs1)NC(c1ccccc1)c1ccccc1 75156133 PBRLWTKSRFZPGZ-KRWDZBQOSA-N 352.459 3.870 0 40 FHAB Cc1c([C@H](C)NC(=O)c2cccc3cn[nH]c23)cnn1-c1ccc(F)cc1 40080606 UKWRZMHZRZUAAQ-LBPRGKRZSA-N 363.396 3.687 0 40 FHAB O=C(Nc1cnc(-c2ccccc2)nc1)c1ccc(OCC(F)(F)F)nc1 40034519 KUGOOZAYMILPEX-UHFFFAOYSA-N 374.322 3.732 0 40 FHAB O=C(CCCc1ccccc1)N1CCC[C@H]1c1nnc2n1CCCCC2 40107473 PMKPVCBGJLQQEY-SFHVURJKSA-N 352.482 3.691 0 40 FHAB O=C(NC1CC1)[C@@H]1CCCN(C(=O)Nc2cc(Cl)ccc2Cl)C1 51582612 RZQUZHFLHRQHDC-SNVBAGLBSA-N 356.253 3.516 0 40 FHAB CC[C@H](NC(=O)CCc1nc(-c2cccnc2)no1)c1ccc(C)cc1 32824648 SZVCZCWCVKNXBR-KRWDZBQOSA-N 350.422 3.640 0 40 FHAB O=C([C@H]1Cc2ccccc2S1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 32882924 WJSVSQNNHJUZLY-HNAYVOBHSA-N 363.486 3.986 0 40 FHAB C[C@H](NC(=O)CCn1ncc(=O)c2ccccc21)c1cccc2ccccc12 52937741 OIZHQZQDOFQESF-INIZCTEOSA-N 371.440 3.817 0 40 FHAB COc1ccc(CCNC(=O)CCCOc2ccc(C)cc2C)cc1OC 1787240 LAMJVUYZKVFQFV-UHFFFAOYSA-N 371.477 3.839 0 40 FHAB Cc1ccc(C)c(COc2ccc3c(C)c(CC(=O)O)c(=O)oc3c2)c1 2148811 SZJIKNXDQLUZOC-UHFFFAOYSA-N 352.386 3.924 0 40 FHAB biogenic CCOC(=O)[C@]1(C)C=C(Nc2ccc(C)cc2)C(=O)N1c1ccccc1 2331849 PRBLPODHTSUBFZ-NRFANRHFSA-N 350.418 3.659 0 40 FHAB CCOC(=O)C1=CN(C(C)C)C=C(C(=O)OCC)C1c1cccc(F)c1 2921150 BLIIIEJAKRYCFR-UHFFFAOYSA-N 361.413 3.527 0 40 FHAB CSc1ncccc1C(=O)OCC(=O)c1ccccc1Br 3237488 BXMJOCTXGBXZBA-UHFFFAOYSA-N 366.236 3.606 0 40 FHAB O=C(COc1ncnc2sc3c(c12)CCCC3)N1CCc2ccccc21 3289031 YXKZOLHPJNPLTP-UHFFFAOYSA-N 365.458 3.538 0 40 FHAB CN(C(=O)COC(=O)CSc1ccc(Cl)cc1)C1CCCCC1 3378903 FGLGCOZIVHVKBR-UHFFFAOYSA-N 355.887 3.766 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2cc(Cl)ccc2OC)c1C 3424478 KLXJGQRWSJDHDR-NSHDSACASA-N 364.829 3.763 0 40 FHAB COc1cc2cc(C(=O)N3CCCC[C@H]3c3cccnc3)[nH]c2cc1OC 4000452 TZKHEXZYPGTUIU-SFHVURJKSA-N 365.433 3.948 0 40 FHAB biogenic CCC(CC)C(=O)Nc1c2c(nn1-c1cccc(C)c1C)C[S@@](=O)C2 4105905 RETXFWAZZDLXGI-RUZDIDTESA-N 359.495 3.626 0 40 FHAB Cc1ccc(N(C(=O)CC2CCCCC2)[C@@H]2C=CS(=O)(=O)C2)cc1C 4165400 CGGOJAGVUNGRRY-LJQANCHMSA-N 361.507 3.918 0 40 FHAB CCOc1ccc(C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc1 4505499 GDHPGOWIQACNAH-UHFFFAOYSA-N 365.429 3.726 0 40 FHAB Cc1ccc(-n2nnnc2SCc2cc(Cl)c3c(c2)OCOC3)cc1 4602786 SGRGNQVLDUDJQK-UHFFFAOYSA-N 374.853 3.783 0 40 FHAB Cc1ccc(OCCCn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 5182228 IUBNGUGQQGCPSV-AWEZNQCLSA-N 369.490 3.755 0 40 FHAB COc1ccc2[nH]c(C(=O)N3CCN(c4ccccc4F)CC3)c(C)c2c1 5345290 GKMNSIZWGBMCGR-UHFFFAOYSA-N 367.424 3.586 0 40 FHAB COc1ccc(CCC(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 5440659 PQSXLBDHHIQNNP-UHFFFAOYSA-N 352.434 3.702 0 40 FHAB O=C1C[C@@](/C=C/c2ccccc2)(C(=O)NC2CCCC2)N1Cc1ccccc1 5484198 IGMLYZRRNFOPGK-QDEBQFNMSA-N 374.484 3.930 0 40 FHAB Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)NCc1ccccc1 5537859 VHMBKCIHOZNECQ-OAHLLOKOSA-N 364.401 3.512 0 40 FHAB Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1ccccc1C(=O)NC1CC1 6648241 WMOLMMMUIYGSCJ-UHFFFAOYSA-N 374.872 3.645 0 40 FHAB O=C(CN1C(=O)c2ccccc2O[C@H](c2ccccc2)C1=O)c1ccccc1 6661130 LCJFECMAAJOVFK-OAQYLSRUSA-N 371.392 3.672 0 40 FHAB CCc1cccc(CC)c1NC(=O)COC(=O)CCC(=O)c1ccccc1 7396157 DACBOPDCVVTDQW-UHFFFAOYSA-N 367.445 3.956 0 40 FHAB CCOc1ccccc1N1C[C@@H](C(=O)Oc2cc(C)ccc2C)CC1=O 7929378 JZOGWRFKYUQOIO-INIZCTEOSA-N 353.418 3.661 0 40 FHAB CS(=O)(=O)c1cccc(NC(=O)CSCc2ccccc2Cl)c1 7944358 ZPMYPZBGNADDFK-UHFFFAOYSA-N 369.895 3.615 0 40 FHAB O=C(CSc1n[nH]c(=O)n1C1CC1)c1ccc(-c2ccccc2)cc1 8212482 LYWHFQUWSJENMS-UHFFFAOYSA-N 351.431 3.548 0 40 FHAB O=C(CCc1ccccc1)Nc1nnc(-c2ccc3c(c2)OCO3)s1 8742521 QGHFLECGPBDRCG-UHFFFAOYSA-N 353.403 3.505 0 40 FHAB CC(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccco3)C2)cc1 8843418 TZKPNLDERUPIHG-KRWDZBQOSA-N 363.373 3.823 0 40 FHAB CCOc1ccc(N2C[C@@H](CNC(=O)Nc3cccc(C)c3)CC2=O)cc1 9039467 YKSITCINXQQMDG-MRXNPFEDSA-N 367.449 3.568 0 40 FHAB CCN1CCN(c2ccccc2NC(=O)c2cc(C)nc3ccccc23)CC1 9367771 LWBDKZDFTREMTO-UHFFFAOYSA-N 374.488 3.937 0 40 FHAB COc1cccc([C@H]2CCCN2CC(=O)NCc2cccc(Cl)c2)c1 10226385 JLDAPHWLFRNMDO-LJQANCHMSA-N 358.869 3.802 0 40 FHAB CC(=O)Nc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)s1 10302658 DDXPWJKBQDANFV-UHFFFAOYSA-N 371.506 3.622 0 40 FHAB COC[C@@H](C)Nc1ncnc2c1cnn2-c1ccc(Cl)c(Cl)c1 10386420 ZXKRUUYCZJEUPF-SECBINFHSA-N 352.225 3.569 0 40 FHAB O=C(C[C@H]1C=CCC1)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 11451887 OPGMYEZNUUWCQF-LBPRGKRZSA-N 353.447 3.990 0 40 FHAB COc1ccc(OC[C@H]2[C@H]3CC[C@H](C3)N2C(=O)c2cnn(C(C)C)c2)cc1 12220633 KKSLSPNZYHPJLR-VPWXQRGCSA-N 369.465 3.545 0 40 FHAB Cc1cc(NC(=O)[C@H](OC(=O)c2cccc(F)c2)c2ccccc2)no1 12567986 WTVVJQKZWBFRDB-QGZVFWFLSA-N 354.337 3.659 0 40 FHAB O=C(NCc1ccc(Cn2cccn2)cc1)c1cccc(C(F)(F)F)c1 12625985 UEINXQAOBHAQNV-UHFFFAOYSA-N 359.351 3.880 0 40 FHAB CC(=O)N(C)Cc1nc2ccccc2n1CCOc1c(C)cccc1C 12627859 UJXWNRXXQRLCOX-UHFFFAOYSA-N 351.450 3.710 0 40 FHAB CC[C@H](Sc1n[nH]c(/C=C/c2ccccc2)n1)C(=O)Nc1cc(C)on1 12890091 XBGDAOPJDPQDKQ-HBWSCVEGSA-N 369.450 3.781 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)c2cnn(Cc3ccccc3)c2)c1 13002901 UDQJQQARUMZLBG-UHFFFAOYSA-N 365.433 3.981 0 40 FHAB COc1ccc2oc(-c3csc(NC(=O)c4cc(C)n(C)n4)n3)cc2c1 13006952 QALTYAMFSWGZMM-UHFFFAOYSA-N 368.418 3.859 0 40 FHAB CC(C)c1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)cc1 13061301 IHNHMAOALOQVEX-UHFFFAOYSA-N 373.884 3.972 0 40 FHAB CCOc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(C)cc3)no2)cc1 13495212 BRDWGZCVXOGRNL-AWEZNQCLSA-N 351.406 3.935 0 40 FHAB CCn1cnnc1S[C@H](C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 14093043 UOQJVNVCMVGQPS-SECBINFHSA-N 373.463 3.709 0 40 FHAB COc1ccc([C@H](NC(=O)c2ccc3c(c2)OCO3)c2ccccc2)cc1 14118993 MUFZMYXMWZQJPH-OAQYLSRUSA-N 361.397 3.943 0 40 FHAB Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cn2cccn2)cc1 14140997 MGLYVCGQMAYWRP-UHFFFAOYSA-N 372.428 3.825 0 40 FHAB CN(C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1ccccc1 14159427 JSIOXYLYELEYII-UHFFFAOYSA-N 370.408 3.759 0 40 FHAB C[C@@H](C(=O)N1CCc2ccccc2C1)N(C)Cc1c(F)cccc1Cl 14202227 LWBNVUHUGZEECQ-AWEZNQCLSA-N 360.860 3.884 0 40 FHAB O=c1oc(-c2ccc(F)cc2)nn1Cc1csc(-c2ccccc2)n1 16277523 FLUTZIVMLFSYPK-UHFFFAOYSA-N 353.378 3.814 0 40 FHAB Cc1nc(NC[C@H](c2ccc(F)cc2)N2CCCC2)cc(-c2cc[nH]n2)n1 19655520 ANNMCAKAPSIPEK-LJQANCHMSA-N 366.444 3.563 0 40 FHAB CC(=O)Nc1c(C(=O)NCC(C)(C)c2ccccc2F)[nH]c2ccccc12 19717741 UPDRBGAYSDRWIH-UHFFFAOYSA-N 367.424 3.973 0 40 FHAB CCc1c(C)n(CC(=O)c2ccc(C)cc2)c2nc3ccccc3n2c1=O 20674447 GWPQWXZKJCXOEW-UHFFFAOYSA-N 359.429 3.711 0 40 FHAB CCc1ccc([C@H](CNC(=O)[C@H]2Cc3ccccc3S2)N(C)C)cc1 22684707 VKIVSIXNVWEPDR-AZUAARDMSA-N 354.519 3.685 0 40 FHAB CN([C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc2c(c1)OCCCO2 23230061 RYSYIHUOAFYVDI-SFHVURJKSA-N 373.474 3.546 0 40 FHAB Cc1nc(-c2ccccn2)sc1C(=O)N(C)Cc1ccc(Cl)nc1 23891937 PEUJLKQLMNAYQF-UHFFFAOYSA-N 358.854 3.834 0 40 FHAB O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2cccnc2)cc1)c1ccco1 24980839 YLFSPYABNJBZCH-SFHVURJKSA-N 361.401 3.904 0 40 FHAB O=C(CCc1nc(-c2cccs2)no1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 27849923 GMFOPRMOXDBDNM-WDEREUQCSA-N 373.400 3.968 0 40 FHAB CCCc1nnc(NC(=O)c2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)s1 27995203 AUQNXJXEYGDRQJ-SNVBAGLBSA-N 370.434 3.721 0 40 FHAB CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2cnccn2)c1 29059488 QSRZCGZJHUQEQH-INIZCTEOSA-N 374.444 3.839 0 40 FHAB COc1ncccc1CNC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 29734682 QKORPRRLOYKACB-FQEVSTJZSA-N 361.445 3.873 0 40 FHAB CC(C)C[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccccc1 32721489 PRBMZGHSCDJDEW-LJQANCHMSA-N 364.445 3.857 0 40 FHAB O=C(CCC1CCCC1)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1 32779620 UBFNNGYJCDXJLT-UHFFFAOYSA-N 363.889 3.987 0 40 FHAB CC(C)C[C@H]1CC(=O)N(C2(C(=O)Nc3ccc4c(c3)OCO4)CCCC2)C1 33436021 NNRDYIJQINVZQN-HNNXBMFYSA-N 372.465 3.561 0 40 FHAB CCOc1ccc(C(=O)Nc2ccc3c(c2)N(CCOC)CCC3)cc1 35588053 UGJXFNXNCSPVEP-UHFFFAOYSA-N 354.450 3.737 0 40 FHAB COc1ccc(SCC(=O)NCCOc2cccc(Cl)c2)cc1 36395537 HVKRNOLLBJMUQO-UHFFFAOYSA-N 351.855 3.636 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)CN1CCC(CCc2ccc(O)cc2)CC1 36398493 FZLMWGOCKYCHSH-UWJYYQICSA-N 358.526 3.732 0 40 FHAB COc1ccc([C@@H](CNc2nn3cc(C(C)(C)C)nc3s2)N(C)C)cc1 40039759 GLYHOWDKKVYUKA-OAHLLOKOSA-N 373.526 3.812 0 40 FHAB C[C@H]1CCC[C@@H](NC(=O)[C@@H](C)N2CCO[C@H](c3ccc(F)cc3)C2)[C@@H]1C 40061001 PNKNKOHTAWTGAW-AFJOWOCMSA-N 362.489 3.528 0 40 FHAB Cc1ccc(NC(=O)c2ccc(SCc3nc(C)no3)cc2)c(O)c1 41817026 ZYQDLFSMSZZXRG-UHFFFAOYSA-N 355.419 3.937 0 40 FHAB C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)Cc1ccsc1 47770415 FHRIRFWEZYIBEG-JTQLQIEISA-N 371.289 3.832 0 40 FHAB CCc1ccccc1N1C(=O)/C(=C/c2ccc(NC(C)=O)cc2)N=C1S 48264061 NJRIAFKTYZDPTQ-ATVHPVEESA-N 365.458 3.881 0 40 FHAB O=C(CSC1CCCC1)NCCCC(=O)Nc1cccc2cccnc12 49030659 RCSJYRSDOQFYDA-UHFFFAOYSA-N 371.506 3.746 0 40 FHAB CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)NCc2ccc(C)nc2)CC1=O 49195874 FRJOMNXJCWIYJX-CRAIPNDOSA-N 365.477 3.573 0 40 FHAB CCc1noc(-c2ccnc(SCC(=O)Nc3ccc(C)cc3)c2)n1 49405383 GPICCQPRURGIEA-UHFFFAOYSA-N 354.435 3.733 0 40 FHAB COC(=O)Nc1ccc(NC(=O)c2cc(F)cc3nc(C)c(C)nc23)cc1 54034337 CKAVQCNSZCUVRE-UHFFFAOYSA-N 368.368 3.816 0 40 FHAB CC(C)(C)NC(=O)CNC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 57898561 BJVKSGYBJZLHEG-WDXRGRCHSA-N 368.521 3.556 0 40 FHAB COc1ccccc1-c1nnc(SCc2nc3ccccc3n2C)n1C 58244532 HLJADUFAXIAFAT-UHFFFAOYSA-N 365.462 3.670 0 40 FHAB Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 72346093 VLOKGARVBHQPPA-INIZCTEOSA-N 368.456 3.761 0 40 FHAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](c2n[nH]cc2-c2ccccc2)C1 72380392 PGTKWSYGPMUDNX-QGZVFWFLSA-N 364.449 3.630 0 40 FHAB O=C1CCCC[C@@H]1[C@H]1CCCN1C(=O)c1cccc(Br)c1 75092876 AVFPXOKDDAHEEW-HUUCEWRRSA-N 350.256 3.813 0 40 FHAB C/C=C/CS(=O)(=O)Cc1cc(Br)ccc1OC(F)F 77481253 RNJCQDVFCPPIQN-NSCUHMNNSA-N 355.200 3.541 0 40 FHAB O=C(CSc1nncc2ccccc12)N[C@@H]1CCCC[C@H]1C(F)(F)F 84598794 GLHYZCSYFDFZFI-ZIAGYGMSSA-N 369.412 3.959 0 40 FHAB Cc1nc(NCCN2CCC[C@@H](c3ccccc3)C2)c2nc(C)oc2n1 91474000 MTERXQFZHLXFBD-QGZVFWFLSA-N 351.454 3.526 0 40 FHAB Cc1cc(=O)c(O)c(CN2CCC[C@@H](c3nc4ccccc4s3)C2)o1 95480195 ATJRXLFNVWYQMR-CYBMUJFWSA-N 356.447 3.643 0 40 FHAB O=C(Nc1cc(Cl)cc2c1OCC2)c1cncc(Br)c1 95944385 BAIZJPTZTWLIOG-UHFFFAOYSA-N 353.603 3.685 0 40 FHAB COCCO[C@@H]1CCN(C(=O)c2cc(C)cc(C)c2)[C@H]1Cc1ccccc1 96087466 UFCUIIPZZZBFDZ-FCHUYYIVSA-N 367.489 3.792 0 40 FHAB Cc1sc(Cl)nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 96223400 NXOVJXATHWCAND-UHFFFAOYSA-N 356.278 3.721 0 40 FHAB CCCNC(=O)c1cc(-c2csc(-c3cnccn3)n2)n2ccccc12 96266766 IJLJTKLVBVIDPE-UHFFFAOYSA-N 363.446 3.660 0 40 FHAB CC[C@](Br)(C(=O)c1ccc(Cl)cc1Cl)S(C)(=O)=O 96518689 YSCFBFWLMLNMSX-LLVKDONJSA-N 374.083 3.722 0 40 FHAB O=c1c(C(F)(F)F)cccn1CCOc1ccc(Br)cc1 105632781 UZLQWOUQDXKYOW-UHFFFAOYSA-N 362.145 3.709 0 40 FHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)OCc1cc(=O)n2c(n1)sc1ccccc12 107549324 KKDYBYKVKRJTCI-MELADBBJSA-N 368.458 3.779 0 40 FHAB O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@]12CCN(C[C@H]1CC=CCC1)C2 108533944 JSRXKNRKPKDAGD-VDZJLULYSA-N 352.469 3.749 0 40 FHAB CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2cccnc2N2CCCC2)CCO1 180058476 GILMPSXIQMGIDK-FUHWJXTLSA-N 360.502 3.787 0 40 FHAB CC[C@H](C(=O)Nc1c(C)cccc1C)N(c1cccc(C)c1)S(C)(=O)=O 220493909 VUOSWDVGXNDYEM-GOSISDBHSA-N 374.506 3.795 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)NCCOc1ccccc1C(C)(C)C 223718152 XDYLITKPXFZEJX-INIZCTEOSA-N 371.477 3.955 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C 224127873 KVGBDRMNTYXFNN-NRFANRHFSA-N 366.505 3.789 0 40 FHAB CCc1ccc(CC(=O)N(C)Cc2nc(-c3cccc(OC)c3)no2)cc1 224138397 VQZOHTGOTIGLQR-UHFFFAOYSA-N 365.433 3.509 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)NCCOc1ccc(C)c(Cl)c1 224168819 YIJSWYFNRVIDBO-CQSZACIVSA-N 363.841 3.620 0 40 FHAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC[C@H]1COc2ccccc2O1 225256637 IGYVINPZHDDGMT-QAPCUYQASA-N 369.461 3.708 0 40 FHAB Cc1ccc(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)cc1 225492177 LRZBBYQGISJBLG-LJQANCHMSA-N 366.505 3.788 0 40 FHAB COC1(C(=O)Nc2ccc(OCCN3C[C@@H](C)C[C@H](C)C3)cc2)CCCC1 225626128 NYKUOIMXMUDPAB-ROUUACIJSA-N 374.525 3.941 0 40 FHAB COc1ccc(NC(=S)N[C@H](C)COc2ccc(C)cc2)c(OC)c1 225640181 DTDDEBSWRQQBMW-CQSZACIVSA-N 360.479 3.766 0 40 FHAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN(C)C)cc1 225744700 DZBWIJDWPDARAD-FQEVSTJZSA-N 350.503 3.941 0 40 FHAB CCOc1cc(C(=O)OC)cc(Cl)c1OC(=O)c1ccc(OC)cc1 226307317 NSGVUHNHYMREBU-UHFFFAOYSA-N 364.781 3.753 0 40 FHAB Cc1cccc(CN2Cc3cccn3[C@@H](CCOCC3CCOCC3)C2)n1 247864400 HVUGDOSXZYBLSA-QFIPXVFZSA-N 369.509 3.582 0 40 FHAB O=C(NC[C@@H](c1ccsc1)N1CCC1)NC12CC3CC(CC(C3)C1)C2 252522869 BIHXPQZKDFLGLG-LMFLDHGRSA-N 359.539 3.763 0 40 FHAB Cc1ccc([C@@H]2CCCN2Cc2cnn(-c3ccccc3C(=O)O)c2)nc1 257225857 FIEBRKKTGRAWRL-FQEVSTJZSA-N 362.433 3.611 0 40 FHAB CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)CCC2CCCCC2)n1 257251327 JQIJYSKTCZXLAM-FQEVSTJZSA-N 357.498 3.742 0 40 FHAB CC(C)(C)NC(=O)c1ccc2c(c1)C1(CCO2)CCN(CC2CC2)CC1 306128418 GZRUPCPLHGONRF-UHFFFAOYSA-N 356.510 3.741 0 40 FHAB CCc1ccc(CNC(=O)C(=O)Nc2ccc(OCC(C)C)cc2)cc1 408708240 HTGKSMOBIVAQPK-UHFFFAOYSA-N 354.450 3.539 0 40 FHAB CCCOc1ccc(CNC(=O)N2CCOc3cccc(F)c3C2)cc1 510898150 LFINDIFNMQFGPB-UHFFFAOYSA-N 358.413 3.719 0 40 FHAB COc1nc(C(F)(F)F)ccc1-c1cc(C)ccc1O[C@H](C)C(=O)O 580214448 VYWAJMLDNIDODK-SNVBAGLBSA-N 355.312 3.936 0 40 FHAB Brc1ccccc1CN1CCC(COc2cnccn2)CC1 1849708093 PINATFGUBMJMTI-UHFFFAOYSA-N 362.271 3.530 0 40 FHAB CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccccc1 650429 IZEIJCICDFBHJZ-UHFFFAOYSA-N 353.447 3.949 0 40 FHAB COc1cccc(OC)c1C(=O)Nc1nc2ccc(NC(C)=O)cc2s1 814033 IUXKUGFPNWKEEH-UHFFFAOYSA-N 371.418 3.524 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)c1 917177 ARRYCSPPFAPDMF-UHFFFAOYSA-N 363.446 3.556 0 40 FHAB Cc1ccc(C[C@@H]2CC(=O)N([C@@H](C)c3ccc(-n4ccnc4)cc3)C2=O)cc1 1432244 XBSWHCIBLCFYRB-FXAWDEMLSA-N 373.456 3.860 0 40 FHAB O=c1oc2c(-c3ccc(I)cc3)cc(O)cc2s1 1453068 YNRKAMVXESOJGG-UHFFFAOYSA-N 370.167 3.832 0 40 FHAB CC(C)Cc1nc2oc3c(NCCN(C)C)ncnc3c2c2c1CCCC2 2206642 KXOLEWMPZQQPDO-UHFFFAOYSA-N 367.497 3.822 0 40 FHAB Nc1c(C(=O)Nc2ccccc2)sc2nc3c(cc12)N1CCC3CC1 2493358 OXRNJPNHKIEZRS-UHFFFAOYSA-N 350.447 3.828 0 40 FHAB Cc1ccc(-n2nnnc2-c2cnn(-c3ccccc3)c2C(F)(F)F)cc1 2556129 BQJRUWTYIJBIJC-UHFFFAOYSA-N 370.338 3.842 0 40 FHAB CC(C)(F)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2583183 DYIMQSXNKQSKCE-QGZVFWFLSA-N 357.381 3.726 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)N(CC(C)C)CC(C)C)o1 2652469 AXVOXVCHCAEBID-UHFFFAOYSA-N 351.472 3.871 0 40 FHAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(C(F)(F)F)cc2)cc1 2664575 YCXJXEYYBHTPLH-UHFFFAOYSA-N 350.340 3.725 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)cc2C(=O)O)cc1 3148989 VYMBCAYDTZQHFG-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB O=C1/C(=C\NC2CC2)c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 3310545 CGGKDAWWLGFVSU-BOPFTXTBSA-N 372.346 3.985 0 40 FHAB O=C(CSc1ccc2ccccc2c1)NC[C@H]1COc2ccccc2O1 3357331 URMXCUHEZCBUCM-KRWDZBQOSA-N 365.454 3.888 0 40 FHAB O=C(CSc1nccn1Cc1ccc(F)cc1)NCCc1ccccc1 4248737 QGUIBRWATFAAOI-UHFFFAOYSA-N 369.465 3.522 0 40 FHAB Cc1cccc(NC(=O)CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1C 4315298 QONQCPZHWHFHMD-QGZVFWFLSA-N 362.477 3.998 0 40 FHAB O=C(Nc1ccc(F)cc1F)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4374330 IMXVQWNJWDWLCE-GFCCVEGCSA-N 365.767 3.545 0 40 FHAB O=C(OCC(=O)N1CCc2ccccc2C1)c1cc2c(s1)CCCCC2 4768048 PZJZFUSQWIBKBT-UHFFFAOYSA-N 369.486 3.759 0 40 FHAB Cc1cccc(NC(=S)N2CCC(NC(=O)c3cccc(C)c3)CC2)c1 4857500 IVVSMJXXZVTXGM-UHFFFAOYSA-N 367.518 3.895 0 40 FHAB C[C@@H]1CCc2c(sc3nnn(CCCCOc4ccccc4)c(=O)c23)C1 5182232 PFVSFGCPXZSECC-CQSZACIVSA-N 369.490 3.837 0 40 FHAB CSc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c1 5222574 RVAGSAOTVLOVHZ-JTQLQIEISA-N 360.504 3.946 0 40 FHAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H]4CCCC4=C4CCC[C@@H]4[C@@H]3C2=O)cc1 5291981 DZPGNKNDQDGSDR-YRPNKDGESA-N 365.429 3.628 0 40 FHAB CS(=O)(=O)c1ccc(C(=O)OCc2ccc(Cl)c(Cl)c2)cc1 5620735 WISUKAOWAYVFBX-UHFFFAOYSA-N 359.230 3.754 0 40 FHAB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(F)cc1F 5722809 YUYGOFYBYMIRBZ-JIEKGTPASA-N 362.420 3.624 0 40 FHAB CCc1cccc(C)c1NC(=O)COC(=O)COc1cc(C)cc(C)c1 6027105 AISIODYNTLGIMA-UHFFFAOYSA-N 355.434 3.735 0 40 FHAB O=C(COC(=O)/C=C/c1ccc2ccccc2n1)Nc1ccc(F)cc1 6121390 LKFFAIHTHLCGBR-VAWYXSNFSA-N 350.349 3.569 0 40 FHAB O=S(=O)(NCCSCc1ccccc1Cl)c1ccc(F)cc1 6222405 XTTRRAPEZZMNFN-UHFFFAOYSA-N 359.875 3.691 0 40 FHAB Nn1c(SCc2ncc(-c3ccccc3)o2)nnc1-c1ccc(F)cc1 6532649 RJDYSIYANGLLGE-UHFFFAOYSA-N 367.409 3.745 0 40 FHAB O=C1CCCN1Cc1nnc(SCc2c(Cl)cccc2Cl)o1 6650789 PNNLEJFLYSFKJS-UHFFFAOYSA-N 358.250 3.791 0 40 FHAB Clc1cccc(CNCCCSc2nnnn2-c2ccccc2)c1 6757223 KPPWYGAYJVDEPJ-UHFFFAOYSA-N 359.886 3.588 0 40 FHAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(NC(N)=S)cc2)cc1 6940291 KMVIBYNQWCVZBI-ZDUSSCGKSA-N 357.479 3.873 0 40 FHAB O=C(COC(=O)CCc1c[nH]c2ccccc12)NCCC1=CCCCC1 7786840 VLLCOBWVTILXNV-UHFFFAOYSA-N 354.450 3.650 0 40 FHAB O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1cc2ccccc2o1 8187090 MZLGJTASYMCRIX-HNNXBMFYSA-N 364.401 3.594 0 40 FHAB COc1ccc(NC(=O)[C@H](C)Sc2nnc(C3CC3)n2C2CC2)cc1 8257649 DRDZRRBVBUKSSH-NSHDSACASA-N 358.467 3.618 0 40 FHAB C[C@H](O)CNCc1cc(Br)ccc1OCc1ccc(F)cc1 8497924 DPKYPGUAURNUCP-LBPRGKRZSA-N 368.246 3.638 0 40 FHAB CC[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1 9095375 UREKUNZVTDSAQU-INIZCTEOSA-N 368.543 3.974 0 40 FHAB COc1cc(C(=O)N2CCc3ccccc32)cc(OC)c1Br 9114486 NWQGTKNVZLGBNU-UHFFFAOYSA-N 362.223 3.669 0 40 FHAB C[C@@H](Sc1nnc(-c2cccnc2)n1C)C(=O)c1c[nH]c2ccccc12 9455442 QMCUILGCYAQRRW-GFCCVEGCSA-N 363.446 3.722 0 40 FHAB Cn1c(Sc2ncnc3c2oc2ccccc23)nnc1C(F)(F)F 9484141 HSVNXACDHLNEQJ-UHFFFAOYSA-N 351.313 3.675 0 40 FHAB O=C(CSc1nnc(-c2ccco2)o1)N1CCSc2ccccc21 9499866 LOTTVZDMOHUVLY-UHFFFAOYSA-N 359.432 3.561 0 40 FHAB Cc1nc(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cs1 10034914 IINKHSISFFOVHX-YERXGYGTSA-N 356.447 3.600 0 40 FHAB Clc1ccccc1-c1nnc(CSc2nnnn2-c2ccccc2)o1 11621384 AUNGPDVDQLBRCZ-UHFFFAOYSA-N 370.825 3.658 0 40 FHAB COc1ccc(CNc2ncc(-c3cc(C)no3)c(C3CC3)n2)cc1OC 12186261 NKEFJZXVMVCORA-UHFFFAOYSA-N 366.421 3.947 0 40 FHAB CC(=O)c1cccc(NC(=O)COC(=O)/C=C/c2ccc(Cl)cc2)c1 12499250 INELHIBPRWRURN-JXMROGBWSA-N 357.793 3.738 0 40 FHAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1c1ccc(F)cc1 12764422 AOHHFADBZIEDSG-BEFAXECRSA-N 370.424 3.804 0 40 FHAB O=S(=O)(N[C@H]1CCSc2c(F)cccc21)c1ccc(F)cc1F 12898178 UPCRSPGOBXAFCR-ZDUSSCGKSA-N 359.394 3.619 0 40 FHAB Cc1cc(NC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)no1 12909490 LFBYOMXXUAXHIE-UHFFFAOYSA-N 373.800 3.883 0 40 FHAB Cc1noc(C)c1S(=O)(=O)NCC(C)(c1ccccc1)c1ccccc1 15365243 MHYCHSSIRZBXNZ-UHFFFAOYSA-N 370.474 3.576 0 40 FHAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(-n2cnnn2)cc1 15646311 VRKPDOJUZPETDT-UHFFFAOYSA-N 355.401 3.511 0 40 FHAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)N(C)Cc1ccc(C(C)(C)C)cc1 16374096 AYPZPXCOIDMIGV-INIZCTEOSA-N 356.514 3.793 0 40 FHAB O=C(Cn1cnc2c(sc3cccc(F)c32)c1=O)Nc1cccc(F)c1 17155125 OQVIVKLRSYFJNH-UHFFFAOYSA-N 371.368 3.528 0 40 FHAB CCc1cc(C(=O)N2CCC(c3cc4ncccc4c(=O)[nH]3)CC2)cs1 19522115 GACYKGHKXFQFSE-UHFFFAOYSA-N 367.474 3.567 0 40 FHAB COc1ccccc1-c1ccccc1CN1CCCN2C(=O)CC[C@@]12C 19659156 RCZNJTOWABMXJS-QFIPXVFZSA-N 350.462 3.907 0 40 FHAB CC(C)C(=O)N1CCC(CC(=O)NC2(c3ccccc3)CCCC2)CC1 19748853 ZRBNCBACFNUGBG-UHFFFAOYSA-N 356.510 3.857 0 40 FHAB CC[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(OC)cc1 20047848 PIUDZGBXIYAOHK-HXUWFJFHSA-N 366.461 3.699 0 40 FHAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2Cl)c(Cl)c1 20492691 AEMUSFIVJUETGN-UHFFFAOYSA-N 359.234 3.617 0 40 FHAB CCN(CCCNC(=O)c1cnc2onc(C(C)C)c2c1)c1ccccc1 21407597 JWPIIXHAVBDOEF-UHFFFAOYSA-N 366.465 3.993 0 40 FHAB Cc1oc(-c2cccs2)nc1CN(C)S(=O)(=O)c1cccs1 23608703 WIFLPMXBLSTYHQ-UHFFFAOYSA-N 354.478 3.594 0 40 FHAB CCc1noc(C)c1C(=O)N1CCC(C(=O)c2ccc(C)cc2C)CC1 24454043 OABAQOXNFUVMLD-UHFFFAOYSA-N 354.450 3.897 0 40 FHAB O=C(COc1ccccc1Cl)NC[C@@H](c1cccs1)N1CCCC1 27582140 KFODRLJOSYLUCI-HNNXBMFYSA-N 364.898 3.734 0 40 FHAB COC(=O)c1ccc(NC(=S)N2C(=O)CSc3cc(C)ccc32)cc1 28527760 ZDUHZVCHCIRVRP-UHFFFAOYSA-N 372.471 3.617 0 40 FHAB C[C@@H](C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)n1cnc2ccccc21 30647300 RMFTVIRQJYAAJT-ZDUSSCGKSA-N 362.408 3.803 0 40 FHAB CC(=O)Nc1ccc(F)c(NC(=O)COc2cccc3ccccc23)c1 32754251 XLJAJOSPPHLVOS-UHFFFAOYSA-N 352.365 3.955 0 40 FHAB Cc1c(Cl)cccc1NC(=O)CSCc1cc(=O)n2ccccc2n1 33026675 YMGGUPRJXYCBIQ-UHFFFAOYSA-N 373.865 3.528 0 40 FHAB COc1ccccc1C(=O)NCc1cccc(COCc2ccco2)c1 36391803 RBDXYRGIFJSVAM-UHFFFAOYSA-N 351.402 3.935 0 40 FHAB Cc1cc(C)n(-c2ccc(NC(=O)CCC(=O)c3cccs3)cn2)n1 36764199 IMYYHWQEPNYOAC-UHFFFAOYSA-N 354.435 3.547 0 40 FHAB CC[C@H]1CCCCN1C(=O)CSc1nnc(-c2sc(C)nc2C)o1 37149323 RKGWDSJKMOYMIT-LBPRGKRZSA-N 366.512 3.693 0 40 FHAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)sc1C(=O)O 37238903 YPLZIKHIXFMZEX-UHFFFAOYSA-N 366.247 3.862 0 40 FHAB C[C@@H](CCN1CCN(c2ccccc2)CC1)NC(=O)c1cccc(Cl)c1 40092539 CNXKRUWGYNLNDA-KRWDZBQOSA-N 371.912 3.671 0 40 FHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C[C@H](NC(N)=O)c1ccccc1 40146777 UWZYVMBYNVYLNX-IRXDYDNUSA-N 369.465 3.517 0 40 FHAB Cc1cc(OCC(=O)Nc2cc(F)ccc2C)nc(N2CCCCCC2)n1 44170198 DKJHQCBLXVNWCH-UHFFFAOYSA-N 372.444 3.630 0 40 FHAB Cc1oc(-c2cccs2)nc1C(=O)Nc1nnc(-c2ccccn2)s1 46754237 WZJLWBRMZOUHSC-UHFFFAOYSA-N 369.431 3.877 0 40 FHAB O=C(N[C@H]1CCOc2ccccc21)c1cccc(NC(=O)c2ccco2)c1 48300419 ZMXGYEJAZIXXQM-KRWDZBQOSA-N 362.385 3.786 0 40 FHAB CCOc1ccccc1NC(=O)CSc1ncccc1-c1nc(C)no1 49406983 PJWDKUGVKWEGLX-UHFFFAOYSA-N 370.434 3.570 0 40 FHAB CCOc1cccc(CNC(=O)c2nnn(-c3ccc(C)c(C)c3)c2C)c1 51318223 TUDAMNLSVIMGKD-UHFFFAOYSA-N 364.449 3.521 0 40 FHAB Cc1nc(-c2ncccn2)sc1C(=O)N(C)Cc1ccc(Cl)cc1 54937636 ISBUWSGGBYETCT-UHFFFAOYSA-N 358.854 3.834 0 40 FHAB COc1ccc2cc(CN[C@@H](C(=O)NC3CC3)c3ccccc3)ccc2c1 55009413 IUMYKZZAKOSLGO-JOCHJYFZSA-N 360.457 3.958 0 40 FHAB COc1ccc(CN2COc3ccc4c(C)c(C)c(=O)oc4c3C2)cc1 55393782 LGRKROZCEVSJKW-UHFFFAOYSA-N 351.402 3.771 0 40 FHAB biogenic Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(Cl)cc3)n2)s1 58193330 TUNYDAKTSUZRSC-UHFFFAOYSA-N 359.838 3.572 0 40 FHAB CCCS(=O)(=O)Nc1cccc(NC(=O)Cc2ccc(C)cc2)c1C 58225919 UCTUYYMXDJYKKW-UHFFFAOYSA-N 360.479 3.636 0 40 FHAB CN(C)c1cccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 58339267 PQCOEOCGPSGASC-SFHVURJKSA-N 352.434 3.501 0 40 FHAB C[C@H](Cc1c(F)cccc1F)NC(=O)c1csc(-c2ccccn2)n1 58414611 BGWZAGFNCDEAPV-LLVKDONJSA-N 359.401 3.844 0 40 FHAB CCOc1ccc(C(=O)OCC(=O)N(CC)c2ccccc2)cc1OCC 60872986 UVROPVZGKRJPID-UHFFFAOYSA-N 371.433 3.694 0 40 FHAB COc1ccc(NC(=O)CCc2ncc(-c3ccc(OC)cc3)o2)cc1 63887838 QWSOTLZETJGRIA-UHFFFAOYSA-N 352.390 3.930 0 40 FHAB Cc1cc([C@H](C)Nc2ncc(C(=O)N3CCOCC3)cc2Cl)c(C)o1 64115583 PFVTXXNPXIWLHQ-LBPRGKRZSA-N 363.845 3.590 0 40 FHAB CC(C)(C)c1ccc(Cn2nccc2NC(=O)NC2CCC(O)CC2)cc1 64429959 DDCXFWYDMOSGKQ-UHFFFAOYSA-N 370.497 3.654 0 40 FHAB Cc1nc(CN(C)C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cs1 65516699 ITUOURDBPMOTNB-SJLPKXTDSA-N 359.495 3.761 0 40 FHAB CCn1ncc2ccc(NC(=O)N(CCN(C)C)Cc3ccccc3)cc21 65591283 YAJINDWDEYDRJG-UHFFFAOYSA-N 365.481 3.652 0 40 FHAB Cc1ccn2c(CNCCNc3ncc(Cl)cc3Cl)cnc2c1 72310924 MQHLRMYKEJYSJI-UHFFFAOYSA-N 350.253 3.546 0 40 FHAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)N[C@H]1CCc2ccccc21 72330072 XHYFHNKQDXRLAM-INIZCTEOSA-N 363.335 3.666 0 40 FHAB CC(C)n1c([C@H]2CCCN(C(=O)C3C(C)(C)C3(C)C)C2)n[nH]c1=S 73585585 BFIUEDAVNIAXFY-LBPRGKRZSA-N 350.532 3.910 0 40 FHAB O=C(NC[C@@H](O)c1ccc2ccccc2c1)c1cc(-c2ccccc2)no1 78593565 IFNMTMFCCNLOLL-HXUWFJFHSA-N 358.397 3.958 0 40 FHAB COc1ccc(-n2ccc(CNc3ncc(Br)cc3C)n2)cc1 79023845 DTMKXHIQHRKECC-UHFFFAOYSA-N 373.254 3.959 0 40 FHAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc3c(ccn3CC(=O)N(C)C)c2)C1(C)C 84671109 RNZCMSLAGBRGAP-YLJYHZDGSA-N 367.493 3.906 0 40 FHAB CCOc1cccc(C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)c1 89953806 GQSRKAHHCQSACS-CQSZACIVSA-N 351.406 3.669 0 40 FHAB O=C(Cc1ccc(F)cc1)NCCn1nc(-c2cccs2)cc1C1CC1 96121595 TVXLFURNHZAFQI-UHFFFAOYSA-N 369.465 3.987 0 40 FHAB C[C@@H](NC(=O)[C@H]1CSCN1C(=O)Nc1ccc(F)cc1)c1ccccc1 97123897 STORCDLZBBIJRW-CXAGYDPISA-N 373.453 3.610 0 40 FHAB CCN1CCN(C(=O)C23C[C@H]4C[C@H](C2)CC(c2ccc(C)cc2)(C4)C3)CC1 100561867 WCAGOGZPKWWQEL-CSKPTYFESA-N 366.549 3.997 0 40 FHAB Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 101615948 KZYZQVDZKFMKMI-JTLRNRKASA-N 363.811 3.805 0 40 FHAB CCOc1cn(-c2ccccc2)nc1C(=O)Oc1c(F)cccc1OC 131110663 XJGONLAOMUMBKI-UHFFFAOYSA-N 356.353 3.638 0 40 FHAB CCCc1csc(NC(=O)N2CCO[C@@]3(CCc4ccccc43)C2)n1 180685569 ABKXROATZSGDAF-IBGZPJMESA-N 357.479 3.801 0 40 FHAB Cc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1N(C)S(C)(=O)=O 222471935 BWTDTWFUZVEBHR-UHFFFAOYSA-N 366.870 3.605 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1C 222717898 OKFQIOULRMVNAH-JKSUJKDBSA-N 355.434 3.719 0 40 FHAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCc1ccc(C)cc1 222902707 BCZCPJBMRFJFLB-MRXNPFEDSA-N 356.441 3.578 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1OC(C)C 223697012 LFHFKLYZYHUURP-UHFFFAOYSA-N 355.843 3.937 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCOc1ccc(C)c(C)c1 224464723 NOZKJCPSDCKKDO-HXUWFJFHSA-N 357.450 3.665 0 40 FHAB Cc1ccccc1OCCNC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 225130027 PTEALOYKEKIEJS-KRWDZBQOSA-N 353.462 3.836 0 40 FHAB COc1ccc(CCNC(=S)Nc2ccc3sncc3c2)cc1OC 225172593 PEKRVWANGBQQOX-UHFFFAOYSA-N 373.503 3.843 0 40 FHAB CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2ccc(C)c(Cl)c2)c1 225967589 CVKODGCNIZKXHZ-UHFFFAOYSA-N 366.870 3.687 0 40 FHAB Cc1noc(C)c1-c1ccc([C@H]2CCCN2C(=O)Cc2cccnc2)nc1 257204777 AWGGDYPOIGLNOR-LJQANCHMSA-N 362.433 3.655 0 40 FHAB Clc1ccc(Oc2cncc([C@H]3CCCN3Cc3c[nH]cn3)n2)cc1 257342503 ZOZCBCKEBJUPQO-QGZVFWFLSA-N 355.829 3.983 0 40 FHAB CCOc1ccc(-c2ccc(OC(=O)c3cccc(OC)c3)nn2)cc1 408530709 KDFZQZOGHYFIQB-UHFFFAOYSA-N 350.374 3.770 0 40 FHAB CC(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 408709081 XBGQYKSHDORRNM-KRWDZBQOSA-N 354.425 3.618 0 40 FHAB C[C@@H]1CCC[C@@H]2C1=NN(C(=O)c1ccc(Cl)cc1)[C@]2(O)C(F)(F)F 409181860 GCSWADDBLXVKCC-DDHOLCJHSA-N 360.763 3.839 0 40 FHAB Cc1nc(O)c(C(=O)Nc2ccc3c(=O)cc[nH]c3c2)cc1-c1ccccc1 577907410 FBUJEWHIGNMGQA-UHFFFAOYSA-N 371.396 3.856 0 40 FHAB Cc1ccc(N2C[C@@]3(CCN(C(=O)C4CCC(C)CC4)C3)CC2=O)cc1 585101589 VPGSYJNKXCZXIJ-QRFVXNFXSA-N 354.494 3.777 0 40 FHAB COCc1nccc(NC(=O)NCC(C)(C)c2ccc3ccccc3c2)n1 626614394 VZOWJWARPQAGNF-UHFFFAOYSA-N 364.449 3.876 0 40 FHAB COc1ccc([C@@H]2C[C@H]2C(=O)NCC[C@H]2CCc3ccccc3N2)cc1 662583338 IYTNPJHXNYWMPO-YZGWKJHDSA-N 350.462 3.732 0 40 FHAB Cc1cc(CCNC(=O)N2CCC([C@@H]3CCCCO3)CC2)cc(C)c1O 664729588 HCIJNNOTSHULJP-IBGZPJMESA-N 360.498 3.542 0 40 FHAB COc1cccc([C@@H](NC(=O)[C@@H]2CC23CCOCC3)c2ccccc2)c1 1179321183 SCUGBDGEVACYCH-PMACEKPBSA-N 351.446 3.718 0 40 FHAB CCCCCC(=O)N1CC[C@H]2CC(=O)Nc3ccccc3OCC[C@H]2C1 1534646714 QHYSIDQBGOXJRL-IRXDYDNUSA-N 358.482 3.843 0 40 FHAB CC(C)N1C(=O)C2(CCN(C(=O)c3ccsc3)CC2)c2ccccc21 1565542076 JWAJTKHEMOWQNM-UHFFFAOYSA-N 354.475 3.677 0 40 FHAB O=S(=O)(Cc1cc(F)ccc1F)NCc1cc(-c2ccoc2)cs1 1775969489 ADRZWNJXSBDOQU-UHFFFAOYSA-N 369.414 3.906 0 40 FHAB Cc1ccc(S(=O)(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 628051 DEFXZRYMUWZJFX-OAQYLSRUSA-N 365.454 3.898 0 40 FHAB Cc1ccc(NC(=O)CCc2cc(C(C)(C)C)nc(NC#N)n2)cc1C 634461 JDNSKWAJAGERPL-UHFFFAOYSA-N 351.454 3.855 0 40 FHAB CCOC(=O)c1c(NC(=O)COc2ccc(F)cc2F)sc(C)c1C 717429 YJDFSSWXSPYTIR-UHFFFAOYSA-N 369.389 3.837 0 40 FHAB CNC(=O)/C(=C/c1cccc(Oc2ccccc2)c1)NC(=O)c1ccccc1 823321 ODUOHIMEWWLXIT-PGMHBOJBSA-N 372.424 3.996 0 40 FHAB CCOC(=O)CSc1nnc(COc2cccc3ccccc23)n1CC 904936 LMBRPKHFNGUMMS-UHFFFAOYSA-N 371.462 3.685 0 40 FHAB CS(=O)(=O)c1cnc(-c2ccccc2)nc1Sc1ccc(F)cc1 1402548 CPTGQUINWYEZHV-UHFFFAOYSA-N 360.435 3.837 0 40 FHAB O=C(/C=C/c1cccs1)NC(=S)N1CCCC[C@@H]1c1cccnc1 2091043 HGYVQVIQIILDSI-ROJDOSBLSA-N 357.504 3.785 0 40 FHAB biogenic CCOc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)n3nc(N)nc3N2)cc1 2374863 XRXWNGQBTQIXHY-IRXDYDNUSA-N 353.401 3.544 0 40 FHAB COc1ccc([C@H]2CC(=O)c3cn4c(nc3C2)nc2ccccc24)cc1OC 2431260 AZRBBFKNOFZXCO-CQSZACIVSA-N 373.412 3.812 0 40 FHAB CCN1C(=O)[C@@](O)(CC(=O)c2cc(C(C)C)ccc2C)c2ccccc21 2488736 SVDQDYNJZIABQI-JOCHJYFZSA-N 351.446 3.946 0 40 FHAB Cc1ccc(C)c(SCc2nc3sc(C(=O)O)c(C)c3c(=O)[nH]2)c1 2657856 RJMDXFZYQNDCER-UHFFFAOYSA-N 360.460 3.900 0 40 FHAB COc1ccc(-n2nnc(C(=O)Nc3ccc(F)cc3)c2C)cc1Cl 2699047 CBDOVQCSXMUJHP-UHFFFAOYSA-N 360.776 3.629 0 40 FHAB O=C(O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)N1CCCCC1 3175645 DDPRLBDMKCWXIA-NSKBAKJYSA-N 361.441 3.607 0 40 FHAB COc1ccc(-n2cnnc2SCC(=O)c2c[nH]c3ccccc23)cc1 3373352 SLGLPLNFASWNQF-UHFFFAOYSA-N 364.430 3.732 0 40 FHAB COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1ccc(C)c(F)c1 3497631 QVMGOXOJRYTRQM-UHFFFAOYSA-N 351.761 3.592 0 40 FHAB Cc1ccc(NC(=O)COC(=O)c2ccc(Br)cc2)cc1F 3508572 KXCUQPNIUQXTCN-UHFFFAOYSA-N 366.186 3.692 0 40 FHAB CCOc1ccc(C(=O)N2CCN=C2SCc2ccc(F)cc2)cc1 4119931 PQGAFLKFJZSSNL-UHFFFAOYSA-N 358.438 3.970 0 40 FHAB O=C(CSc1nc(-c2ccccc2)ns1)Nc1ccc2c(c1)OCO2 4167262 ABNXLOWRLUVRIM-UHFFFAOYSA-N 371.443 3.665 0 40 FHAB COC(=O)c1ccc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)cc1 5127553 GNGPKHMLRWWXOQ-GXDHUFHOSA-N 366.804 3.781 0 40 FHAB Cc1ccc(-n2ncc3c(=O)n(C/C=C/c4ccccc4)cnc32)cc1C 5139490 UURNLZMWJMGWGR-RMKNXTFCSA-N 356.429 3.912 0 40 FHAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc(Oc2ccccc2)cc1 5265505 OALWYKARDQHKKE-UHFFFAOYSA-N 371.396 3.897 0 40 FHAB C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)NC1CCCC1 5448323 KAOIDDWMEFDNLS-LLVKDONJSA-N 364.902 3.675 0 40 FHAB Cc1ccc2[nH]c(SCC(=O)Nc3ccnn3C3CCCC3)nc2c1 6292030 LOANEBYZMLDCGU-UHFFFAOYSA-N 355.467 3.914 0 40 FHAB CCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(C)cc2C)cc1 6349921 LQFKXYFZQJHOGI-UHFFFAOYSA-N 370.474 3.997 0 40 FHAB CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4N(CCO)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 6363612 JLCADYKUNFKFDQ-FDNYNCRQSA-N 359.510 3.543 0 40 FHAB CC(C)c1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 6552926 IXPPQFZQIUUPIE-AWEZNQCLSA-N 361.463 3.621 0 40 FHAB O=C(COCc1cc(-c2cccs2)on1)Nc1cc(Cl)ccc1O 6876485 ZFPHVXVLCJAACJ-UHFFFAOYSA-N 364.810 3.917 0 40 FHAB COc1ccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 7492034 KWVCTQZEBXQJSB-UHFFFAOYSA-N 358.869 3.743 0 40 FHAB O=C(COC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccc(Cl)cc1 7783911 UGCVGJLZEPMKMG-GOSISDBHSA-N 374.820 3.938 0 40 FHAB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc(C=O)cc2)CC1=O 7929333 KMWDWTVLQYXBHK-GOSISDBHSA-N 365.429 3.582 0 40 FHAB CC(C)c1ccc(OCC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 8016604 IORJWZHGFYNIRX-ZDUSSCGKSA-N 354.406 3.547 0 40 FHAB CN(c1ccccc1C(=O)Nc1ccccc1)S(=O)(=O)c1ccccc1 8091350 UNVIPFQIZRDJBY-UHFFFAOYSA-N 366.442 3.764 0 40 FHAB COc1ccccc1OC(=O)c1ccc(Cn2nnc3ccccc32)cc1 8169366 JEONIYNSKZDFRM-UHFFFAOYSA-N 359.385 3.707 0 40 FHAB CCN(Cc1cccc(F)c1)C(=O)CSc1nncn1-c1ccccc1 8210780 WPDNKKWPQWGQMB-UHFFFAOYSA-N 370.453 3.547 0 40 FHAB CCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccco1 8579613 MAKKMJPRQNPEEN-UHFFFAOYSA-N 354.406 3.572 0 40 FHAB CCOc1ccc(CC(=O)OCC(=O)Nc2ccc(F)cc2Cl)cc1 9033405 DAKJDHAVYQCGIC-UHFFFAOYSA-N 365.788 3.602 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc(N)c3ccsc3n2)c1C 9157833 WJPKEQFKXYXEQL-JTQLQIEISA-N 374.491 3.785 0 40 FHAB COc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)n2)cc1 9320932 JGPFMGXDYHLFIC-INIZCTEOSA-N 363.417 3.883 0 40 FHAB O=C(Cc1csc(N2CCCC2=O)n1)Nc1cc(Cl)ccc1Cl 9690455 YMKYYVXJCUZNKK-UHFFFAOYSA-N 370.261 3.758 0 40 FHAB Cc1nc(C)c(C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)s1 10143121 QARUONYXFLKTDA-UHFFFAOYSA-N 355.415 3.712 0 40 FHAB COc1ccccc1-c1nc(Cn2cnc3cc(F)ccc3c2=O)cs1 11348923 DEFYUVIFTIFGHB-UHFFFAOYSA-N 367.405 3.716 0 40 FHAB Cc1cccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c1 11612532 BATMIFDYRQWGQH-GOSISDBHSA-N 372.490 3.567 0 40 FHAB COc1ccc(OCC(=O)Nc2nc(-c3ccc(C)cc3)ns2)cc1 11914494 NAHYYLVPSRFMFI-UHFFFAOYSA-N 355.419 3.540 0 40 FHAB Cc1cc(C)n(C[C@@H](C)NCc2cc(-c3ccc(Cl)cc3)c[nH]c2=O)n1 12187480 AKUGWKBYXCZQNR-CQSZACIVSA-N 370.884 3.687 0 40 FHAB CCC(=O)c1ccc(OC[C@H](O)Cn2cnc3cc(C)c(C)cc32)cc1 12551666 HARFAGZQUHIYRO-QGZVFWFLSA-N 352.434 3.686 0 40 FHAB O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCCC1 12818646 KVGBYYMBCDYBHK-ZHACJKMWSA-N 358.445 3.629 0 40 FHAB Cc1ccc(F)c(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)c1 12870249 RMQQOZCONSYJLL-UHFFFAOYSA-N 358.457 3.795 0 40 FHAB COc1cccc(CN(C)C(=O)c2cccc(C(F)(F)F)c2)c1OC 13095772 JTBNNRMZMJURDF-UHFFFAOYSA-N 353.340 3.995 0 40 FHAB CCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1OCC 13479894 SQKWLMKDPWQWAQ-UHFFFAOYSA-N 364.445 3.979 0 40 FHAB COc1ccc(-c2nc(CCNC(=O)Cc3ccc(Cl)cc3)c[nH]2)cc1 13627624 GDKRPJQVIIZKLR-UHFFFAOYSA-N 369.852 3.640 0 40 FHAB O=C(O)c1cccc(-c2ccc(CNCc3ccc4c(c3)OCO4)o2)c1 13691301 DODZYLRDOMYDPQ-UHFFFAOYSA-N 351.358 3.663 0 40 FHAB Cc1ccc(CSCC(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1 14199655 AHQDZHBGTXXQDY-UHFFFAOYSA-N 368.502 3.893 0 40 FHAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(OC[C@@H]2CCCO2)cc1 14235588 XBJLNJCJIIFUHW-IBGZPJMESA-N 364.445 3.698 0 40 FHAB C[C@H](NC(=O)c1ccc(NC(N)=O)cc1)c1cccc(C(F)(F)F)c1 14420022 OTYANVFNSRQWII-JTQLQIEISA-N 351.328 3.687 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC(=O)Nc2ccccc21 15683046 AANSZVZIUDRKQJ-JTQLQIEISA-N 365.216 3.746 0 40 FHAB CC(C)(C)[C@H]1CCc2[nH]nc(C(=O)Nc3cccc(-n4cccn4)c3)c2C1 19661515 SGVBBVOUNPSNMY-AWEZNQCLSA-N 363.465 3.999 0 40 FHAB Cc1ccccc1CN1C(=O)[C@]2(CC(O)=Nc3[nH]ncc32)c2ccccc21 20723805 TXNJMKKAOHQGEQ-OAQYLSRUSA-N 358.401 3.543 0 40 FHAB CC(C)(C)c1ccc(S(=O)(=O)c2n[nH]nc2Nc2ccc(F)cc2)cc1 21658315 WGGWKXWYTQYRAI-UHFFFAOYSA-N 374.441 3.818 0 40 FHAB COc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)N2CCCC2)cc1 21911910 CCSXLIZZCOTWLH-LJQANCHMSA-N 358.869 3.916 0 40 FHAB biogenic CCN1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)c2cccc(C)c2)CC1 22460070 BNNOXCNTTHVEHA-YLJYHZDGSA-N 371.550 3.554 0 40 FHAB COC(=O)c1n[nH]c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc12 25012663 JGGYNEBMYBMUHR-UHFFFAOYSA-N 364.188 3.909 0 40 FHAB O=C(Nc1cnn(Cc2cccc(Cl)c2)c1)c1ccc2c(c1)OCO2 28220643 ZEBITBNDRHEMHB-UHFFFAOYSA-N 355.781 3.566 0 40 FHAB Cc1ccc(OCC(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1 28614131 WYEYGLVIVKVNAK-UHFFFAOYSA-N 367.323 3.575 0 40 FHAB C[C@@H](C(=O)Nc1ccc(Cl)cn1)N(C)CCOc1ccccc1Cl 29154080 PANFDOGQMFTXDC-LBPRGKRZSA-N 368.264 3.726 0 40 FHAB CN1CCN(C(=O)CSc2ccccc2Cl)[C@@H](c2ccccc2)C1 30029466 FONUBQGEQULFDN-QGZVFWFLSA-N 360.910 3.947 0 40 FHAB CC(C)c1ccc([C@H](NC(=O)CCCNC(N)=O)c2cccs2)cc1 32845489 XXGIVLJXGPLHFD-SFHVURJKSA-N 359.495 3.526 0 40 FHAB Cc1ccc(-c2cc(CSc3nc(C)c(CC(N)=O)s3)on2)cc1 32913784 WSFGJJZIYDJEKW-UHFFFAOYSA-N 359.476 3.735 0 40 FHAB COC(=O)c1ccc(NC(=O)Cc2csc(Cc3ccccc3)n2)s1 33161851 NXNQZFHWNTZCHV-UHFFFAOYSA-N 372.471 3.763 0 40 FHAB COc1ccc(NC(C)(C)c2nnnn2-c2ccc(Cl)cc2)cc1OC 35622556 MXYZSIRIEHQLPL-UHFFFAOYSA-N 373.844 3.680 0 40 FHAB CC(C)OC(=O)C[C@H](NC(=O)CCc1ccccc1O)c1ccccc1 36625193 TWAAXFMIDAQEFC-SFHVURJKSA-N 355.434 3.524 0 40 FHAB CN(C)[C@H](CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1ccsc1 40141904 BFQAERCCXKVXIO-QGZVFWFLSA-N 374.897 3.620 0 40 FHAB CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 45601701 NINMEJAWJCCUFW-LBPRGKRZSA-N 354.903 3.541 0 40 FHAB CCOc1ccc(CN(C)CCC(=O)Nc2ccc(C(C)=O)cc2)cc1 45697392 UNUWAJPFXRNWAV-UHFFFAOYSA-N 354.450 3.749 0 40 FHAB Cc1ccc2oc(-c3ccc(Cl)c(N4C[C@@H](C(=O)O)CC4=O)c3)nc2c1 45887287 PDANTQCOYUEBLQ-LBPRGKRZSA-N 370.792 3.894 0 40 FHAB CCN(Cc1cccc(F)c1)C(=O)NCc1cccc(N2CCCC2=O)c1 46894611 YHNNHYQFCHIINR-UHFFFAOYSA-N 369.440 3.684 0 40 FHAB COC(=O)c1c(NCc2ccccc2F)c2cccc(Cl)c2[nH]c1=O 49001599 BLRKGHUQCFCRBP-UHFFFAOYSA-N 360.772 3.719 0 40 FHAB CC(=O)Nc1cccc2c1CCN(C(=O)N[C@H](C)c1ccc(F)c(F)c1)C2 56363760 QISRODUFBYDIQD-GFCCVEGCSA-N 373.403 3.752 0 40 FHAB c1ccc(-c2[nH]c3ccccc3c2CN2CCN(c3ncccn3)CC2)cc1 57292080 OZXCUHWWQFUBDK-UHFFFAOYSA-N 369.472 3.947 0 40 FHAB Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NCc1nc(C(C)C)no1 58201035 AGFXPPMNXNDNMA-AWEZNQCLSA-N 356.470 3.986 0 40 FHAB O=C(NCC[C@@H]1CCCO1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 58309805 UNFCPUISQXHLKW-SFHVURJKSA-N 371.412 3.769 0 40 FHAB CN(Cc1ccccc1)C(=O)c1c(C(F)(F)F)nn(C)c1C(F)(F)F 72306809 ZVFYRECSOWEFAB-UHFFFAOYSA-N 365.277 3.730 0 40 FHAB CC1(C)C[C@H](C(=O)Nc2ccc(Oc3ccc4c(c3)OCO4)nc2)CCO1 72324841 OUALUYPICNLZCU-CYBMUJFWSA-N 370.405 3.746 0 40 FHAB biogenic Cc1cccc(Nc2cncc([C@@H]3CCCN(Cc4cccnc4)C3)n2)n1 72360966 FFDPVGYANRTSHK-GOSISDBHSA-N 360.465 3.698 0 40 FHAB O=C(/C=C/c1ccco1)OC1CN(c2nc3c(Cl)cccc3s2)C1 75172326 FFEBGHDDLBOSTO-VOTSOKGWSA-N 360.822 3.988 0 40 FHAB Cc1cccc(-c2noc(CCC(=O)NCc3ccccc3Cl)n2)c1 75359540 PWTNPXBEMPYUCM-UHFFFAOYSA-N 355.825 3.947 0 40 FHAB O=C(c1ccc(N2CCCCCC2)nc1)N1CC[C@@H](Nc2ccccc2)C1 76969640 OVFGFXCBRNLERQ-HXUWFJFHSA-N 364.493 3.789 0 40 FHAB COC(=O)c1ccc2c(c1)CCCN2Cc1cc(=O)oc2cc(C)ccc12 84208416 MXUOPIQCBVLUFR-UHFFFAOYSA-N 363.413 3.841 0 40 FHAB COc1ccccc1[C@@H](N[C@@H]1CCCc2[nH]c(=O)ccc21)c1ccco1 90534823 XAMXHYUJZVWMNK-DYESRHJHSA-N 350.418 3.733 0 40 FHAB COc1ccccc1OCCc1nnc(NC(=O)Nc2ccccc2)s1 95116459 WSMXSOZKDMRFHI-UHFFFAOYSA-N 370.434 3.812 0 40 FHAB Cc1cccc(NC(=O)c2nc3c(s2)CCCN3c2ccc(C)nn2)c1 96037461 QDEIQWYYEUFHPP-UHFFFAOYSA-N 365.462 3.887 0 40 FHAB O=C1OC(c2ccc(OC(F)F)cc2)=N/C1=C/c1ccc(F)c(F)c1 96865417 IGMYDJBXCGCPSH-RIYZIHGNSA-N 351.255 3.911 0 40 FHAB CCc1cc2c(=O)n3c(nc2s1)/C(=C\c1ccc(C(=O)O)cc1)CC3 103336047 VKXHBKQWPDGYOR-LCYFTJDESA-N 352.415 3.663 0 40 FHAB CC1(C)CC(=O)C(C(c2ccsc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 103422352 OSDOWJHPGKRBIE-UHFFFAOYSA-N 374.502 3.981 0 40 FHAB COc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccccc3)s2)cc1 136391317 GEDSYKHHIREOPL-GFCCVEGCSA-N 355.419 3.620 0 40 FHAB O=C(NC[C@@H]1CCCN1c1ccccc1)C1(c2ccccc2)CCOCC1 207988505 IQMVVLOVOWLVGM-NRFANRHFSA-N 364.489 3.520 0 40 FHAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)cn1 222773451 RCTZFLVFLACWJR-RTBURBONSA-N 363.490 3.568 0 40 FHAB COc1cc(C)c(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)c(C)c1 224367055 MUKNQDPCBKMZBX-UHFFFAOYSA-N 353.871 3.786 0 40 FHAB CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc2c(c1)OCCO2 224833229 XMWQQEAJISCONU-UHFFFAOYSA-N 367.854 3.635 0 40 FHAB CC[C@H](NS(=O)(=O)Cc1ccc(F)cc1)c1ccc(OC)c(C)c1 224990359 YMNXIUWHNSBQIF-KRWDZBQOSA-N 351.443 3.713 0 40 FHAB COc1ccc(NC(=S)N[C@@H](C)COc2ccc(C)cc2)c(OC)c1 225640157 DTDDEBSWRQQBMW-AWEZNQCLSA-N 360.479 3.766 0 40 FHAB COC(=O)c1ccc(C)c(NC(=S)N[C@H](C)COc2ccccc2)c1 225782611 DSAHNNDSXLUKTM-CQSZACIVSA-N 358.463 3.536 0 40 FHAB Cc1ccc(OC[C@H](C)NC(=O)COc2cccc(C(F)(F)F)c2)cc1 225813672 LJLLQOKAUVTBHX-AWEZNQCLSA-N 367.367 3.976 0 40 FHAB CN(C)C(=O)c1ccc(NC(=S)NC2(c3ccco3)CCCC2)cc1 225871695 FUEJHQCNHRLDGG-UHFFFAOYSA-N 357.479 3.737 0 40 FHAB Cc1cc(C)c(NC(=O)c2ccccc2I)c(N)c1 226347065 CVAYTLONYAKTPP-UHFFFAOYSA-N 366.202 3.743 0 40 FHAB COc1cc(C(=O)Nc2c(C)cc(N)cc2Cl)cc(OC)c1OC 226763277 BKQNFAPBPDLKFV-UHFFFAOYSA-N 350.802 3.509 0 40 FHAB CCOCC[C@H]1CCOC12CCN(C(=O)c1sccc1OCC)CC2 253386277 WEOKIYCCAJUNEG-HNNXBMFYSA-N 367.511 3.585 0 40 FHAB CC[C@H]1CCCCN1c1nn(-c2cccc(C(F)(F)F)c2)nc1C(=O)O 256046143 DAWJAAJVNDDAKG-LBPRGKRZSA-N 368.359 3.753 0 40 FHAB O=C(c1ccc2ccccc2n1)N1CCCC[C@@H]1c1ccn2nccc2n1 257211962 CBGFWXSPZUOZJW-LJQANCHMSA-N 357.417 3.645 0 40 FHAB COC(=O)c1ccc([C@H]2C[C@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1 257226482 FKTRNSHHPPMQSW-ZUSHIUFSSA-N 359.466 3.634 0 40 FHAB O=C(c1cccnc1)N1CCC[C@H](c2ncc(Cc3ccccc3F)o2)C1 257276538 NUFGDOUGFXKISV-KRWDZBQOSA-N 365.408 3.819 0 40 FHAB O=C(Nc1cccc(Cl)c1)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 575609885 RKITZUVENAOTGT-CQSZACIVSA-N 367.236 3.859 0 40 FHAB CCn1nnc2cc(C(=O)N(C(C)C)[C@@H]3CCCc4cccnc43)ccc21 585079988 JJWZODNSWJPICS-LJQANCHMSA-N 363.465 3.774 0 40 FHAB CCc1ccnc(CNC(=O)N2CCC3(C=Cc4ccccc4O3)CC2)c1 664807245 PKNOUNZJTVHEJY-UHFFFAOYSA-N 363.461 3.794 0 40 FHAB CSc1ccc(Cn2cnc3c(cnn3-c3ccc(C)cc3)c2=O)cc1 676075123 VJWKJAHZWYEFNV-UHFFFAOYSA-N 362.458 3.661 0 40 FHAB Cc1cc(NC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)cnc1C 1303086990 RLSKIIXNLQJPAE-FQEVSTJZSA-N 359.429 3.808 0 40 FHAB Cc1nn(C)cc1CCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 1318577207 NFHFLNNFSSZGNI-INIZCTEOSA-N 368.506 3.677 0 40 FHAB COc1nc2ccc(NC(=O)[C@H](C)n3ccc(C(F)(F)F)n3)cc2s1 1626227232 FQYODGFZUFBOCM-QMMMGPOBSA-N 370.356 3.720 0 40 FHAB Cc1ccc(-c2csc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)n2)cc1 1187747 IYUWYFPSPMFUOT-VRKREXBASA-N 356.447 3.804 0 40 FHAB CCCCOC(=O)c1cccc(NC(=O)c2c(OC)cccc2OC)c1 1787740 NXPLDCLCOPNNOR-UHFFFAOYSA-N 357.406 3.913 0 40 FHAB biogenic COc1cccc([C@@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC 1851117 HXTGXYRHXAGCFP-NRFANRHFSA-N 373.468 3.831 0 40 FHAB biogenic,in-vivo CCCNC(=O)c1c(N)n(-c2ccc(CC)cc2)c2nc3ccccc3nc12 2370912 UYKCIJOKUZRLCE-UHFFFAOYSA-N 373.460 3.858 0 40 FHAB CCOC(=O)c1c(NC(=O)CNc2ccccc2)sc2c1CCCC2 2648406 KCCKJHGNQNOFMN-UHFFFAOYSA-N 358.463 3.854 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)Cc2ccc(Cl)cc2)cc1 3327892 REAPEXOOPIPDEJ-ZDUSSCGKSA-N 359.809 3.656 0 40 FHAB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1cccc(Cl)c1Cl 3437116 VDIRPSRZDGSBDG-UHFFFAOYSA-N 368.172 3.518 0 40 FHAB COc1ccc(Br)c(C(=O)OCc2ccc(OC)c(F)c2)c1 3523155 WDPFBJKCCCJMTJ-UHFFFAOYSA-N 369.186 3.962 0 40 FHAB CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 3830840 DBEPLOCGEIEOCV-VLYKBWAZSA-N 372.553 3.815 0 40 FHAB in-man COc1cccc(/C=C/C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C)c1 4090367 DZWPZYYZQBLBCG-HVHJFMEUSA-N 367.445 3.872 0 40 FHAB biogenic CCOc1ccccc1NC(=O)c1nnn(-c2cccc(CC)c2)c1C 4315873 NYLUAEQUHCXTPT-UHFFFAOYSA-N 350.422 3.789 0 40 FHAB CCOC(=O)[C@H](C)Sc1ncnc2c1cnn2-c1cccc(Cl)c1 4341713 DEBPGSAKCHPTIB-JTQLQIEISA-N 362.842 3.513 0 40 FHAB CCOc1cc(Cl)c(Cl)c2cc(C(=O)N3CCCC3)c(=O)oc12 4520198 WKGWGTDEZOSUKH-UHFFFAOYSA-N 356.205 3.735 0 40 FHAB Cc1c(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)oc2ccccc12 4588253 WLJNYIABHOMKJC-UHFFFAOYSA-N 362.385 3.535 0 40 FHAB O=C1C[C@H](C(=O)N2CCCc3ccccc32)CN1c1ccc(Cl)cc1 4731828 NCVDFEDJWWVFGH-HNNXBMFYSA-N 354.837 3.672 0 40 FHAB O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)[C@H]1CCCO1 4950901 JKLXXLAQKMGMIO-CYBMUJFWSA-N 356.369 3.870 0 40 FHAB COc1cccc([C@@H]2CC(=O)Nc3sc(C(=O)c4ccco4)c(N)c32)c1 5044037 WQMVJLDCXQIQLR-LBPRGKRZSA-N 368.414 3.637 0 40 FHAB COc1cccc(-c2c(NC(=O)C(C)C)n(C)c3ccccc3c2=O)c1 5243887 GCTZIOXXIFPORW-UHFFFAOYSA-N 350.418 3.809 0 40 FHAB C[C@H](OC(=O)Cc1ccc2ccccc2c1)c1nc2ccccc2c(=O)[nH]1 5917634 DTDRHQOKTHFTQQ-AWEZNQCLSA-N 358.397 3.923 0 40 FHAB CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(Cl)c(Cl)c2)NC(=S)N1 5977611 GLNOKEAUKZUCPN-AWEZNQCLSA-N 373.305 3.985 0 40 FHAB CCCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 5978330 ZFLBTZIZJTXMJH-UHFFFAOYSA-N 360.479 3.634 0 40 FHAB O=C1c2ccccc2C(=O)N1CCSCCOc1ccccc1Cl 6609213 RQUHXJMVUGKJLP-UHFFFAOYSA-N 361.850 3.748 0 40 FHAB O=C(NCCc1nc2ccccc2n1Cc1ccc(F)cc1)c1ccco1 6753073 FOWCKBBQTSYWQN-UHFFFAOYSA-N 363.392 3.789 0 40 FHAB CCC[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1 7037520 SNVIRPCQOVVLJD-IBGZPJMESA-N 364.445 3.720 0 40 FHAB O=C(Nc1ccccc1Cc1ccccc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 7344672 HAWSENXWCJXKFV-LJQANCHMSA-N 374.440 3.858 0 40 FHAB C[C@@H]1CCc2ccccc2N1CC(=O)N1c2ccccc2NC(=O)C1(C)C 7619019 NHJFBTLDSKVQRC-OAHLLOKOSA-N 363.461 3.592 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2C)c1C 7765969 YFKUBMJYECMZBQ-GFCCVEGCSA-N 372.450 3.586 0 40 FHAB COc1cccc(N[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1 7813566 ZZEOUZDKIBTYGP-ZDUSSCGKSA-N 365.216 3.746 0 40 FHAB Cc1sc(NC2CCCC2)nc1-c1ccc(NS(C)(=O)=O)cc1 7988138 PUEYXHOZLJNTKP-UHFFFAOYSA-N 351.497 3.845 0 40 FHAB COc1ccccc1CNC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 8136417 KRQKCJHSHLRKAB-UHFFFAOYSA-N 371.824 3.648 0 40 FHAB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)N3CCC(C)CC3)n2)cc1 8757214 GRPRHQIIJQFMGB-AWEZNQCLSA-N 358.511 3.773 0 40 FHAB O=C(CCc1nnc(-c2ccccc2)o1)Nc1ccc2c(c1)OC(F)(F)O2 9156121 RRBSGLWKZOAYMD-UHFFFAOYSA-N 373.315 3.629 0 40 FHAB Cc1ccccc1-n1cnnc1SCC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 9364170 ADORKIIAVZKMON-DLBZAZTESA-N 370.522 3.707 0 40 FHAB Cc1[nH]c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccnn3C(C)C)cc2c1C 9551665 DYDRZDZQHZHNJT-CQSZACIVSA-N 368.437 3.746 0 40 FHAB Cc1[nH]c2ccc(C(=O)NCc3ccccc3Cn3cccn3)cc2c1C 10234742 HHKISUXVILEITP-UHFFFAOYSA-N 358.445 3.960 0 40 FHAB C[C@H](OC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C)C(=O)c1c[nH]c2ccccc12 10954560 YRRDNRIGESUULH-MRRFBWAASA-N 365.385 3.511 0 40 FHAB COc1ccc(OC)c(CN(Cc2ccco2)Cc2cnc(C)n2C)c1 12143712 LQTOYSYBSLHGOV-UHFFFAOYSA-N 355.438 3.541 0 40 FHAB O[C@@H](CN1CCC(O)(c2ccc(F)cc2)CC1)c1ccc2c(c1)CCCC2 12292600 RLMWXUHCCWPNBR-QFIPXVFZSA-N 369.480 3.722 0 40 FHAB O=C(Nc1cc(-n2c(=S)[nH]c3ccccc3c2=O)ccc1F)C1CC1 12545062 MNOMJURQFLGROS-UHFFFAOYSA-N 355.394 3.536 0 40 FHAB O=C(O)CCc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 12605578 XYJQIOJCCSMCRM-UHFFFAOYSA-N 373.352 3.523 0 40 FHAB C[C@@H](Sc1ccccc1)C(=O)NCc1ccc(Cn2cccn2)cc1 12625823 SPGOMSBJYZLKDY-MRXNPFEDSA-N 351.475 3.728 0 40 FHAB Cc1cccc(COC(=O)C2CCN(C(=O)c3ccccc3C)CC2)c1 12894478 YGWKJWIMFOPRJT-UHFFFAOYSA-N 351.446 3.899 0 40 FHAB Cc1nc2ccc(NC(=O)CCc3nc(-c4ccncc4)no3)cc2s1 12982958 KPIQTKRWNLPQMN-UHFFFAOYSA-N 365.418 3.621 0 40 FHAB CCCN1C(=O)N[C@H](c2cccc(Cl)c2Cl)C(C(=O)OC)=C1C 13011030 RJDVBZHPFNGSBU-CQSZACIVSA-N 357.237 3.917 0 40 FHAB CC[C@H](C)c1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(F)cc2)cc1 13073830 SSRDUMYTKJIBAU-HNNXBMFYSA-N 371.456 3.848 0 40 FHAB Cc1ccc2[nH]c(=O)c(CNc3ccc(C(=O)N4CCCC4)cc3)cc2c1 13561294 FJZSMMROTAZDFV-UHFFFAOYSA-N 361.445 3.685 0 40 FHAB COCCNc1nc(C)nc2scc(-c3ccc(OC)c(OC)c3)c12 13988122 WSYPGPOAJMFBBN-UHFFFAOYSA-N 359.451 3.742 0 40 FHAB CCOC(=O)Cn1cc(C(=O)c2ccccc2F)c2ccnc(Cl)c21 14001452 BIWSJWOVRSXCOT-UHFFFAOYSA-N 360.772 3.623 0 40 FHAB Cn1c(SCc2ccccc2OC(F)F)nc2ccsc2c1=O 14140621 OPOQNQSWXQBCSN-UHFFFAOYSA-N 354.403 3.889 0 40 FHAB COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(OC)c(OC)c1OC 14197799 XZZQSDOCKVBULR-ZDUSSCGKSA-N 359.422 3.520 0 40 FHAB Cc1c(Cl)cccc1NC(=O)[C@H](C)N(C)Cc1ccc2c(c1)OCO2 15029513 GUTPUOLIWMWIQH-ZDUSSCGKSA-N 360.841 3.836 0 40 FHAB Cc1cc(Oc2ccc(Cl)cc2Cl)nc(Oc2ccc(=O)[nH]n2)n1 16887154 YVAKBXZKQCMIHT-UHFFFAOYSA-N 365.176 3.760 0 40 FHAB Cc1ccc([C@@H](NC(=O)COC(=O)c2ccco2)c2cccs2)cc1 17483861 HMMADLNUPSUODU-GOSISDBHSA-N 355.415 3.712 0 40 FHAB Cc1cccc(-c2cc(CNCCc3ccccc3F)c3nnnn3c2)c1 19235295 BFUNFDIJHWQHTI-UHFFFAOYSA-N 361.424 3.571 0 40 FHAB Cc1nccn1C[C@@H](C)C(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C 19287755 CMZANBKOEOYXAK-QRWLVFNGSA-N 371.481 3.502 0 40 FHAB CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)N2c2ccccc2)c2ccccc21 20636603 FWUIZJBSJPGFOG-QHCPKHFHSA-N 370.408 3.945 0 40 FHAB CCCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(F)cc1)C3 20671508 CUODUJDALZVHIF-LBPRGKRZSA-N 356.426 3.678 0 40 FHAB O=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2nn3cnnc3s2)c1 21124548 KKTFLMTXIOOKOX-UHFFFAOYSA-N 369.837 3.687 0 40 FHAB CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc3ncccc23)c1 21333125 HHRIMWXAPIOUOX-UHFFFAOYSA-N 360.822 3.544 0 40 FHAB C[C@@H](OC(=O)c1cc(Cl)c2c(c1)OCCO2)C(=O)c1ccc(F)cc1 21499078 ZAPNCTWMHGUJJW-SNVBAGLBSA-N 364.756 3.679 0 40 FHAB Cc1ccc2nc(COC(=O)c3cc(Cl)sc3Cl)cc(=O)n2c1 22118611 JMZIHGYXXAMIHX-UHFFFAOYSA-N 369.229 3.728 0 40 FHAB COc1ccc(OC)c(CC(=O)N2CCC(Cc3ccccc3)CC2)c1 22251011 RDGCKBRUKLDBLC-UHFFFAOYSA-N 353.462 3.728 0 40 FHAB CCCc1ccc([C@]2(C)NC(=O)N(C[C@@H]3CC3(Cl)Cl)C2=O)cc1 22473618 QIBLENWPAUYSGD-BBRMVZONSA-N 355.265 3.600 0 40 FHAB CCN(Cc1cccc(F)c1)C(=O)[C@H](NC(=O)C1CCCCC1)C(C)C 23019539 YMIZRLGKIQGIGR-LJQANCHMSA-N 362.489 3.895 0 40 FHAB O=C(Nc1nccs1)[C@H]1CCCN(c2ccc(-c3cccs3)nn2)C1 23142920 VBKZUASVRHXZGF-LBPRGKRZSA-N 371.491 3.517 0 40 FHAB O=C(c1cccc(-n2cccc2)c1)N1CCN(C/C=C/c2ccccc2)CC1 23806066 LMTJCAXGEYIPMS-JXMROGBWSA-N 371.484 3.949 0 40 FHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(CN2CCOCC2)cc1 23990074 RAAISKRGQZIVQL-OAHLLOKOSA-N 374.868 3.578 0 40 FHAB Cc1cccc(-n2ncc(C(=O)NCCc3c[nH]c4ccccc34)c2C)c1 24759745 OUIUIVNBGNVOHD-UHFFFAOYSA-N 358.445 3.943 0 40 FHAB CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(N(C)C)c(C)c2)CC1=O 24818618 WDWPPRIPUYMYAD-KRWDZBQOSA-N 365.477 3.615 0 40 FHAB O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2cccnc2)cc1)c1ccco1 24980833 YLFSPYABNJBZCH-GOSISDBHSA-N 361.401 3.904 0 40 FHAB O=C(Cc1csc(-c2ccco2)n1)Oc1ccc(N2CCCC2=O)cc1 25342676 XYIJQNIHXBTNMX-UHFFFAOYSA-N 368.414 3.678 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1noc(-c2ccc(F)cc2)n1 32624299 BOHUDWFOPCDLGN-HNNXBMFYSA-N 359.332 3.811 0 40 FHAB C[C@@H](C(=O)N[C@H](C)c1ccccc1)S(=O)(=O)Cc1ccc(Cl)s1 32929863 SGLPJJGMFZBDSG-NEPJUHHUSA-N 371.911 3.582 0 40 FHAB CCc1nc2sc([C@H](c3cccs3)N3CCC[C@H](C)C3)c(O)n2n1 36104776 CCCRCDJWOSBCLC-FZMZJTMJSA-N 362.524 3.942 0 40 FHAB CCc1ccc(CN(C)C(=O)CCCn2c(=O)oc3ccccc32)cc1 36147521 RJRJPHPMPOMKMF-UHFFFAOYSA-N 352.434 3.596 0 40 FHAB C[C@@H]1CCN(C(=O)c2ccccc2S(C)(=O)=O)c2ccccc2S1 36619833 XFPYRUQWCVOSEI-CYBMUJFWSA-N 361.488 3.621 0 40 FHAB O=C(NCc1ccccc1CN1CCCC1=O)c1c(F)cccc1Cl 40071649 KOGSMTJBCCDVDL-UHFFFAOYSA-N 360.816 3.532 0 40 FHAB Cc1cc(Cc2nc3sc(-c4ccccc4)c(C)c3c(=O)[nH]2)nc(C)n1 47682131 KTMZPDZPHHPPBX-UHFFFAOYSA-N 362.458 3.958 0 40 FHAB COc1ccc(-n2nnnc2SCCCc2nc3ccccc3o2)cc1 48356676 NFHAZZRLEUZPMI-UHFFFAOYSA-N 367.434 3.537 0 40 FHAB CCOc1c(OC)cc(CNC(=O)N2CCc3ccc(F)cc32)cc1OC 50138468 RYSSVXNASPHAOW-UHFFFAOYSA-N 374.412 3.514 0 40 FHAB Cc1nc2ccccc2n1CC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 55946463 PSAUNNMCCLLIAD-FPOVZHCZSA-N 367.424 3.520 0 40 FHAB CSc1ccc(-c2noc(CN3CCC(N4CCCCC4)CC3)n2)cc1 57427609 BXAQELUHHPVJJV-UHFFFAOYSA-N 372.538 3.909 0 40 FHAB CCC[C@@H](NC(=O)[C@H]1CC=CCC1)C(=O)Nc1cccc(N2CCCC2)c1 58323119 JHPIMXCFUCMXLY-FXAWDEMLSA-N 369.509 3.867 0 40 FHAB CCOc1cc(CNC2CCCCC2)ccc1OCC(=O)N1CCCCC1 60806243 NGJOULJPSKIOJX-UHFFFAOYSA-N 374.525 3.899 0 40 FHAB CCOc1cc2c(cc1CNC(=O)c1cccc3cccnc13)O[C@H](C)C2 65543159 WQJIVLLWJLVJKQ-CQSZACIVSA-N 362.429 3.887 0 40 FHAB Fc1ccc(Cn2nc(Br)nc2Br)cc1Cl 67799548 VECDDALMKSDZMY-UHFFFAOYSA-N 369.419 3.644 0 40 FHAB COc1ccc(Oc2cc(C)nc([C@@H]3CCCN3C(=O)C3CC3)n2)cc1 72383744 NSGMZQTVAYBTFD-KRWDZBQOSA-N 353.422 3.659 0 40 FHAB CC(=O)N[C@@H](CC(=O)Nc1cc(C)cc2cccnc12)c1ccc(F)cc1 72399273 RSPXDOZVNKWOAS-SFHVURJKSA-N 365.408 3.888 0 40 FHAB CC(C)Cc1nc(C(=O)N[C@H](C)c2ccc3c(c2)OCCCO3)cs1 84575194 ZRRBCSKLFORCRT-CYBMUJFWSA-N 360.479 3.994 0 40 FHAB Cc1ccc(-c2cnc(CCC(=O)N[C@@H](CCO)c3cccs3)o2)cc1 95426709 PZKLKQNSMSNDMF-INIZCTEOSA-N 370.474 3.884 0 40 FHAB O=S(=O)(Nc1ccc(-c2ccc[nH]2)cc1)c1cnn(-c2ccccc2)c1 95460471 QPKRQAYJCWMLGW-UHFFFAOYSA-N 364.430 3.668 0 40 FHAB COc1cccc(-c2noc(CNC(=O)/C=C/c3ccc(Cl)cc3)n2)c1 95482219 PNGIHRTUEJJYBD-JXMROGBWSA-N 369.808 3.728 0 40 FHAB CC(C)[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)O 95997731 DHEBMEOGIMGULX-IBGZPJMESA-N 367.424 3.877 0 40 FHAB FC(F)(F)Cn1cc2c(n1)[C@@H](Nc1ccc(C(F)(F)F)nn1)CCC2 96002488 PBMFXJIXMJBHMN-VIFPVBQESA-N 365.281 3.744 0 40 FHAB Cc1ccc(CN2CCC3(CC2)C[C@@H](N(C)Cc2ccco2)CO3)s1 96048009 VOCQLLFZGXDCIL-QGZVFWFLSA-N 360.523 3.905 0 40 FHAB Cc1cccc(CN2CC[C@]3(C[C@H](OCc4csc(C)n4)CO3)C2)c1 96107628 WKLVCUUIDWEAKT-PMACEKPBSA-N 358.507 3.710 0 40 FHAB CC(=O)N1CC[C@]2(C(=O)Nc3ccc(Oc4ccccc4)cc3)C[C@@H]2C1 96157050 RMGXTMYEAJACAO-IERDGZPVSA-N 350.418 3.676 0 40 FHAB CCC1=NC2(CCC(C(=O)Nc3ccc(F)cc3)CC2)C(=O)N1CC1CC1 96261380 JIKLYXFALUGWCG-UHFFFAOYSA-N 371.456 3.754 0 40 FHAB Cc1ncc(CNC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)s1 98117713 VYXAZWZSYITIBI-VIFPVBQESA-N 359.373 3.911 0 40 FHAB OC1(Cn2ccc3ncccc32)C[C@H]2CC[C@H](C1)N2Cc1cccs1 100213343 HFPHZDRLPLWEEP-HZPDHXFCSA-N 353.491 3.656 0 40 FHAB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3=C(C)C)[C@H]2C1=O 100387245 QUGHVESQNBDHPS-IONDEXAJSA-N 365.429 3.546 0 40 FHAB Cc1ccccc1NC(=S)N1[C@@H]2CCC[C@@H]1CC(NC(=O)C1CC1)C2 100427061 XLYLAVNIFGEZHC-IAGOWNOFSA-N 357.523 3.604 0 40 FHAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCC(C)(C)C 104439484 NUXBUXUNXUUXEA-LJQANCHMSA-N 357.498 3.548 0 40 FHAB Cc1ccc(NC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 113967088 ZFDVOSJPIIHFSX-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB COc1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1OC 148162358 WNNBSIADNXBCAM-UHFFFAOYSA-N 365.433 3.818 0 40 FHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 225094216 OAVHOMXDUKPEPI-MOPGFXCFSA-N 366.505 3.870 0 40 FHAB O=C(Cc1ccc(Cl)cc1F)NCC1(c2ccccc2)CCOCC1 225123075 ZXDQDCZIIBRFQD-UHFFFAOYSA-N 361.844 3.886 0 40 FHAB COC(=O)c1ccc(C)c(NC(=S)NCCCc2cccc(OC)c2)c1 225553476 QACMHCZDJKEQBY-UHFFFAOYSA-N 372.490 3.709 0 40 FHAB CCCCOc1ccc(NC(=O)[C@](C)(CCC)OC)cc1C(=O)OC 225796327 FCAXAGWRWZBIGZ-IBGZPJMESA-N 351.443 3.796 0 40 FHAB COc1ccc([C@@H](C)NC(=O)CCc2nc(-c3ccccc3C)no2)cc1 225817176 QNSMEHDRKQUTGZ-OAHLLOKOSA-N 365.433 3.864 0 40 FHAB Nc1nnc(/C=C/c2ccc(OCc3cccnc3)c(Br)c2)o1 226338906 ZXCFLHPMYLNKDD-GQCTYLIASA-N 373.210 3.559 0 40 FHAB CSc1ccccc1NC(=O)c1ccnc(OCC2CCOCC2)c1 253472290 LFSHFRORZZOGGP-UHFFFAOYSA-N 358.463 3.861 0 40 FHAB Cc1scc(C(=O)N2CCCC[C@@H]2c2nnc(-c3cnccn3)o2)c1C 257277624 NYTKDMXWDJWBCV-OAHLLOKOSA-N 369.450 3.572 0 40 FHAB CC(=O)N(C)Cc1cc([C@H]2CC[C@H](CN(C)C3CCCC3)CC2)nn1C 257322078 WEMYLABRANWXSM-IYARVYRRSA-N 360.546 3.547 0 40 FHAB Cc1cc(NC(=O)COC(=O)c2cccs2)c(C)cc1Br 408644187 DYTRJSPSZHBEGZ-UHFFFAOYSA-N 368.252 3.923 0 40 FHAB COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(OC)c1O 408813008 DCOVETWOZLYFBJ-GDNBJRDFSA-N 357.387 3.650 0 40 FHAB CCOC(=O)N[C@H](CC(=O)Nc1cc(OC)ccc1OC)c1ccccc1 409002316 NEIQLHGHYPESSN-MRXNPFEDSA-N 372.421 3.520 0 40 FHAB C[C@@H]1CCC2=NN(C(=O)c3cccc(Cl)c3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409055417 BUIVTZFLZAJYPE-BCQZVRRWSA-N 360.763 3.839 0 40 FHAB O[C@H](Cc1cccc(Cl)c1)CN1CCC(c2c[nH]c3ncccc23)CC1 515064875 GTECUROYXPSSSB-GOSISDBHSA-N 369.896 3.999 0 40 FHAB CC1CCN([C@@H](CNC(=O)c2ncoc2C2CC2)c2ccccc2)CC1 555422303 STISPXVILATHRI-SFHVURJKSA-N 353.466 3.755 0 40 FHAB CC(=O)c1ccc(C(=O)N2CCCN(c3ccccc3Cl)CC2)cc1O 574912939 UCJBNYVCTQOOPO-UHFFFAOYSA-N 372.852 3.601 0 40 FHAB CC(=O)N1CCC[C@H](NCCc2ccccc2)[C@@H]1Cc1cccc(C)c1 585283935 DIAGNDLPLNWGMT-GOTSBHOMSA-N 350.506 3.749 0 40 FHAB O[C@@H]1[C@@H](NCCOc2ccccc2)CCC[C@H]1Oc1ccc(Cl)cc1 585290154 UNTTUDZXFXJCCI-XUVXKRRUSA-N 361.869 3.669 0 40 FHAB O=C(NC[C@H](c1ccsc1)c1ccco1)c1ccc2nsnc2c1 618257071 QIMAPJYKWLBIOK-CYBMUJFWSA-N 355.444 3.908 0 40 FHAB O=C(/C=C/c1ccccc1)N1CCC[C@](O)(COc2ccccc2)CC1 1615075885 HUJXGPXLHBPYOK-CHHLAKQQSA-N 351.446 3.522 0 40 FHAB C=CC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)[C@H](O)CCCC3)cc1 1645059658 WDFWCKCTRSYSRS-LJQANCHMSA-N 350.418 3.823 0 40 FHAB Fc1ccccc1CN1CCC(Oc2nccc(C(F)(F)F)n2)CC1 1775976071 VEPSGHVQXMOEKS-UHFFFAOYSA-N 355.335 3.678 0 40 FHAB CCOC(=O)COc1cc2c(C(=O)OCC)c(C)n(C)c2c2ccccc12 709111 TZRFCLHWDAZHQR-UHFFFAOYSA-N 369.417 3.759 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2C)c1C 779353 GUPOYLDVVOXVCI-UHFFFAOYSA-N 358.492 3.891 0 40 FHAB C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1C(=O)c2ccccc2C1=O 951401 ZITSOQFIINUWCJ-SECBINFHSA-N 363.200 3.617 0 40 FHAB O=C1Nc2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)c3cccc1c23 956949 IMFYOPOLABCXKL-UHFFFAOYSA-N 372.833 3.537 0 40 FHAB O=C(O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 1101600 MGCJYJWIBISCST-UHFFFAOYSA-N 372.471 3.503 0 40 FHAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)C(C)=O)cc2c1 1359363 OQXLHDBPTGIKQL-UHFFFAOYSA-N 364.445 3.648 0 40 FHAB Cc1nc(-c2ccc(NC(=O)c3ccc(Br)o3)c(C)c2)no1 1429819 ROQFJEJHHFZVEH-UHFFFAOYSA-N 362.183 3.961 0 40 FHAB COC(=O)[C@@H](C)n1cnc2scc(-c3ccc(OC(C)C)cc3)c2c1=O 1784774 IYAJTSSBNLUWPB-GFCCVEGCSA-N 372.446 3.646 0 40 FHAB COc1cc([C@@H](O)P(=O)(OC(C)C)OC(C)C)cc(OC)c1OC 2236241 ODANUYCFJSUWBV-INIZCTEOSA-N 362.359 3.746 0 40 FHAB O=C(C[C@H](Cc1ccccc1)C(=O)O)Nc1cccc(C(F)(F)F)c1 2315688 HBUZMFKWRRHFNJ-ZDUSSCGKSA-N 351.324 3.978 0 40 FHAB CCc1nc(Nc2ccc3c(c2)C(=O)NC3=O)c2oc3ccccc3c2n1 2425992 VNYQQOXCFHBDCB-UHFFFAOYSA-N 358.357 3.566 0 40 FHAB COc1ccc(C(=O)Nc2ccc(I)cc2)cc1 3040148 RKYRTYUWYQIOBL-UHFFFAOYSA-N 353.159 3.552 0 40 FHAB C[C@@H](OC(=O)c1ccc(O)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 3245525 PONIMKCEDIGIGA-SECBINFHSA-N 354.189 3.883 0 40 FHAB COc1ccc(Cl)cc1N1C(=O)/C(=C/c2sccc2C)NC1=S 3257476 YNZILFHFEMSWTC-FLIBITNWSA-N 364.879 3.981 0 40 FHAB Cc1ccc(CN2C[C@@H](C(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1 3416294 LRQXYQWOIQWELB-AWEZNQCLSA-N 360.816 3.775 0 40 FHAB Cc1cc(NC(=O)CSc2nnc(Nc3ccccc3C)s2)no1 3465315 JCWIOJGEONAJCF-UHFFFAOYSA-N 361.452 3.617 0 40 FHAB CCc1ccc(C(=O)N[C@H](C(=O)N(C)Cc2ccccc2)C(C)C)cc1 4704025 KSYGTPCTHJMATD-FQEVSTJZSA-N 352.478 3.662 0 40 FHAB COc1ccc([C@H]2C[C@@H](c3ccccc3)N(C(=O)C3CC3)c3ncnn32)cc1 4732769 OBLYGEKISSCDMH-VQTJNVASSA-N 374.444 3.764 0 40 FHAB COc1ccc(-c2nc(NCc3ccccc3)n(C(=O)C(C)C)n2)cc1 4777296 HBHLGXPLJJRDCY-UHFFFAOYSA-N 350.422 3.862 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)cc1 5099637 OBSKZIISZMHXDP-UHFFFAOYSA-N 372.490 3.731 0 40 FHAB COc1ccc(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)cc1F 5177020 ATWUJOIXJKCXGU-UHFFFAOYSA-N 372.179 3.763 0 40 FHAB COC(=O)c1ccccc1NC(=O)NC(=O)c1c(Cl)cccc1Cl 5511469 CEHOHXGHNHZRGE-UHFFFAOYSA-N 367.188 3.742 0 40 FHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCCCC2)ccc1Cl 5936218 LYCQEFDFAPHUDP-UHFFFAOYSA-N 372.918 3.889 0 40 FHAB Cc1cccc(C)c1NC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 6087620 YPJQRJXVHYMEHE-UHFFFAOYSA-N 367.474 3.592 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2ccc(NC(=O)C(C)C)c(OC)c2)c1 6357761 XVVXIDGSMJNJCO-UHFFFAOYSA-N 372.421 3.559 0 40 FHAB CCC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(NC(C)=O)cc1 6541863 NIGCIDFJOUOJQQ-UHFFFAOYSA-N 374.824 3.909 0 40 FHAB O=S(=O)(c1ccc(SC/C=C/c2ccccc2)nc1)N1CCCC1 6822139 PYQZZUWPRWGBPY-RMKNXTFCSA-N 360.504 3.672 0 40 FHAB CC1=C(C(=O)Nc2ccccc2)[C@H](/C=C/c2ccccc2)n2ncnc2N1 6849150 OOYLGBQFZOFCPY-HHNLSAEISA-N 357.417 3.871 0 40 FHAB O=C(c1cc2c(=O)n3ccccc3nc2s1)N1CCC[C@@H]2CCCC[C@H]21 6865101 LPJVWKXRNPXGQA-DZGCQCFKSA-N 367.474 3.704 0 40 FHAB CCCCCNC(=O)NCc1cccc(CNC(=O)NCCCCC)c1 6938515 OBSHVDOHMIKROA-UHFFFAOYSA-N 362.518 3.665 0 40 FHAB O=C(Cc1cccs1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 7407371 QMUVZJLAVHMWQZ-UHFFFAOYSA-N 352.463 3.914 0 40 FHAB COc1ccc([C@H](NC(=O)CN2CCCCCC2)c2ccccc2)cc1 7424416 OPMPDPRHOQSZED-JOCHJYFZSA-N 352.478 3.777 0 40 FHAB COc1ccc(S[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)cc1 7790590 YDWLUCWBKWHRLI-OAHLLOKOSA-N 372.490 3.548 0 40 FHAB C=CCOc1ccc(CN(C)[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 7917302 CHDLBBJXLNTHPO-OAQYLSRUSA-N 350.462 3.703 0 40 FHAB O=C(CCC(=O)N1CC[C@@H]2CCCC[C@@H]2C1)c1ccc2c(c1)OCCCO2 8394200 HHYOXVIHDLWLHL-FUHWJXTLSA-N 371.477 3.850 0 40 FHAB Cc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccc3c(c2)CCC3)s1 8409023 BJCMRKRVMWYZOQ-UHFFFAOYSA-N 371.458 3.690 0 40 FHAB CC(C)Cn1c(SCCC(N)=O)nnc1-c1ccc(Cl)cc1Cl 8744577 ZAZGKQTVINZART-UHFFFAOYSA-N 373.309 3.875 0 40 FHAB COc1ccc(CNC(=O)CSc2nc(-c3ccc(F)cc3)c[nH]2)cc1 8745071 GOUJSEUOAYNXSK-UHFFFAOYSA-N 371.437 3.633 0 40 FHAB CCOc1cc2c(cc1CNC(=O)CCNc1ccccc1C)O[C@H](C)C2 9218104 ICLOAEKSQZZLBX-MRXNPFEDSA-N 368.477 3.836 0 40 FHAB CCc1ccc(CCC(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)cc1 9905182 KQARGZWLEMLTTO-UHFFFAOYSA-N 365.477 3.519 0 40 FHAB CCOc1ccc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 10544151 YMBPGEBSYPXJDS-KRWDZBQOSA-N 361.463 3.666 0 40 FHAB COc1ccc(CN(Cc2cccc(C)n2)C[C@@H]2CCCO2)c(OC)c1 12118236 UERAUDMGODVSFF-FQEVSTJZSA-N 356.466 3.588 0 40 FHAB COc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)Cc2cccs2)cc1 12145649 FPHCGUWBMASKJD-SFHVURJKSA-N 367.474 3.679 0 40 FHAB CC(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C(C)C)cs1 12220024 VJWSDIONTXGJEL-UHFFFAOYSA-N 357.479 3.728 0 40 FHAB Cc1nn(CCC(=O)N2CCc3[nH]c4c(Cl)cccc4c3C2)c(C)c1C 12325649 NJPHBGRMRMWPQT-UHFFFAOYSA-N 370.884 3.918 0 40 FHAB CCc1nn2c(nnc3c(=O)n(-c4ccccc4)ccc32)c1-c1ccccc1 12407106 MDTCHKZTJWDYHA-UHFFFAOYSA-N 367.412 3.658 0 40 FHAB O=C(Cc1cnc(-c2ccccc2F)s1)Nc1ccc2c(c1)OCCO2 12408470 KUUGAMASCNHABD-UHFFFAOYSA-N 370.405 3.902 0 40 FHAB Cc1noc(C)c1CC(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 12507701 ZEPWZZFMMODDDJ-UHFFFAOYSA-N 370.409 3.988 0 40 FHAB Cc1ccccc1CC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 12628406 HKZMFWDPORGJKS-IBGZPJMESA-N 353.853 3.830 0 40 FHAB Cn1cccc1[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1Cl 12762066 JPNQTNLEGGSYCW-ZDUSSCGKSA-N 359.278 3.858 0 40 FHAB O=C(CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1ccccc1Cl 12937959 WAFYUBLDTLEMRA-OAHLLOKOSA-N 371.868 3.629 0 40 FHAB Cc1nc(C(=O)N2CCC[C@H](C(F)(F)F)C2)nn1-c1ccc(Cl)cc1 12977813 OIIFPIHQWSPMGT-NSHDSACASA-N 372.778 3.644 0 40 FHAB COC(=O)CCCNC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 13000118 WOHJWHHGSJLOQP-UHFFFAOYSA-N 356.205 3.936 0 40 FHAB COc1ccc2oc(-c3csc(NC(=O)c4cc(C)nn4C)n3)cc2c1 13006956 FVOBNOXMNCPBMS-UHFFFAOYSA-N 368.418 3.859 0 40 FHAB C[C@H]1CC(=O)c2c(OCC(=O)NCc3ccccc3Cl)ccc(F)c21 13008965 CZKLFGLHPRTEMN-NSHDSACASA-N 361.800 3.864 0 40 FHAB CCCc1cc(=O)[nH]c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)n1 13117950 YPSBDIYIYURAKL-GOSISDBHSA-N 371.506 3.568 0 40 FHAB COc1ccc(C(C)=O)cc1CC(=O)N[C@H]1CCSc2ccccc21 14180361 LUMCSPXSEXGXPK-KRWDZBQOSA-N 355.459 3.794 0 40 FHAB c1cc(CN2CC[C@]3(CCCN(CC4CC4)C3)C2)n(-c2nccs2)c1 14968478 CGACKGRFLFHVLE-FQEVSTJZSA-N 356.539 3.632 0 40 FHAB Cc1cnc2c(C(=O)Nc3ccc(-n4ccnc4C(C)C)cc3)cnn2c1 19239339 MPLHNFAHPXGSKW-UHFFFAOYSA-N 360.421 3.599 0 40 FHAB Cc1ccc(C(=O)Nc2nc(-c3cnn(C)c3)cs2)cc1N1CCCC1 19716200 MECWARMSLRNPSM-UHFFFAOYSA-N 367.478 3.705 0 40 FHAB Cc1cccc(C)c1N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 19943442 BOPMUZZWOROWKR-UHFFFAOYSA-N 372.534 3.938 0 40 FHAB CCSc1nnc(NC(=O)CCC(=O)O[C@@H]2CC[C@H](C)[C@@H](C)C2)s1 20034756 VMNYEIIOJLFNOI-SDDRHHMPSA-N 371.528 3.737 0 40 FHAB O=C(Nc1ccc(F)cc1)[C@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 20718239 ILRNPUNLSGERLT-MRXNPFEDSA-N 350.353 3.861 0 40 FHAB Fc1ccc(-c2nnc(S)n2Cc2ccco2)cc1Br 20732915 ISBUXBBIPXZXPV-UHFFFAOYSA-N 354.204 3.777 0 40 FHAB COc1cccc(NC(=O)[C@H](C)Sc2nnc(-c3ccoc3C)n2C)c1 21140839 CDHADYXDONLQRL-LBPRGKRZSA-N 372.450 3.511 0 40 FHAB CCn1cc(C(=O)Nc2ccc(OC)c(OC)c2)c(=O)c2cc(C)ccc21 22234659 MJFGJHXVIWZBOP-UHFFFAOYSA-N 366.417 3.599 0 40 FHAB CCn1c(-c2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2)n[nH]c1=O 22873089 DPLCJCCIRDAQIH-UHFFFAOYSA-N 368.746 3.993 0 40 FHAB Cc1noc(-c2ccc(C(=O)OCc3cnn(-c4ccccc4)c3)cc2)n1 22977932 SNPPNTITKUEKRH-UHFFFAOYSA-N 360.373 3.588 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(F)cc1 24218483 VEMXFXUTENKOCP-KBPBESRZSA-N 358.413 3.760 0 40 FHAB Cc1ccc(NC(=S)N[C@H](C)[C@@H](c2ccccc2)N2CCOCC2)cc1 25329503 JTMQPHASPXIUHE-XLIONFOSSA-N 369.534 3.743 0 40 FHAB C[C@H](OC(=O)CCOc1ccc(C(C)(C)C)cc1)C(=O)NC1CCCC1 28675330 GJHIINUXQDOHNR-HNNXBMFYSA-N 361.482 3.744 0 40 FHAB Cc1ccc(C)c(O[C@H](C)C(=O)NCc2ccccc2-n2ccnc2C)c1 30751372 RMIYBWIDLXJPNU-QGZVFWFLSA-N 363.461 3.881 0 40 FHAB CC[C@H](NC(=O)COc1ccc(Cl)cc1-n1cnnc1)c1ccccc1 32646789 MPIJICIKZFHPNO-INIZCTEOSA-N 370.840 3.567 0 40 FHAB CCc1ccc([C@H](CNCc2ccc(OC)c(OC)c2OC)N(C)C)cc1 32735871 GSQYEPVXLBLTDT-IBGZPJMESA-N 372.509 3.667 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)c(O)n2)cc1 32778597 UTEKJAMBTJTJBQ-UHFFFAOYSA-N 366.446 3.592 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)cc1 35314635 ZJXRIFJEQMZJCM-SFHVURJKSA-N 351.406 3.524 0 40 FHAB COc1ccc(C[C@H](NC(=O)c2ccc[nH]2)c2ccc(OC)cc2)cc1 39983242 PPLSUGSFEVPTLN-FQEVSTJZSA-N 350.418 3.746 0 40 FHAB COc1cc(NC(=O)NCCCOCc2ccco2)c(OC)cc1Cl 40024043 KOFWOACFUSQHTI-UHFFFAOYSA-N 368.817 3.679 0 40 FHAB O=C(Nc1ccccc1-n1cccn1)c1cccc(OC[C@@H]2CCCO2)c1 40088394 AFCKQRAEERKDQT-SFHVURJKSA-N 363.417 3.682 0 40 FHAB CC(C)[C@@H](NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccccc1 40131619 RQVJTFXVXDYIEC-VQIMIIECSA-N 372.900 3.860 0 40 FHAB COc1cccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)c1 40140090 FLQAFQOVBQIOHR-UHFFFAOYSA-N 369.371 3.900 0 40 FHAB C[C@@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1ccc(F)c(F)c1F 40161185 CUYMOALPLAZPDG-SNVBAGLBSA-N 366.339 3.704 0 40 FHAB Cc1c(Cl)cccc1NC(=O)C(=O)NCc1ccccc1OC(C)C 42646242 LDHRVLCUHDAFFV-UHFFFAOYSA-N 360.841 3.691 0 40 FHAB Cc1cc2oc(=O)cc(COC(=O)c3cccnc3N(C)C)c2cc1Cl 46452549 OWSIYUBTKQDXJT-UHFFFAOYSA-N 372.808 3.573 0 40 FHAB Cc1n[nH]cc1CNC(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 46976462 HBAAVKWVLGQIHH-UHFFFAOYSA-N 359.449 3.948 0 40 FHAB CC(=O)Nc1ccc(OC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1 48231267 YFHYJULMFHLHAJ-UHFFFAOYSA-N 361.401 3.539 0 40 FHAB O=C(CNc1cc(F)cc(F)c1)N1N=C(c2ccco2)C[C@H]1c1ccco1 53815404 CVNJTNSNIDPAMC-INIZCTEOSA-N 371.343 3.941 0 40 FHAB COc1cc(CC(=O)N(Cc2ccc(C)o2)C(C)C)cc(OC)c1OC 54212190 SWEGBKOBPDOHEY-UHFFFAOYSA-N 361.438 3.594 0 40 FHAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 55720613 SZUJMLBQMHMFPG-BLVKFPJESA-N 374.387 3.732 0 40 FHAB C[C@@H]1CCCN(CCCNC(=O)N[C@@H]2CCOc3c(Cl)cccc32)C1 56805548 OOFAAMJQGUBCBW-RHSMWYFYSA-N 365.905 3.585 0 40 FHAB O=C(NCC1(c2ccccc2)CC1)Nc1cccc(CN2CCCC2=O)c1 58056921 UMLCLHFDBGYWQE-UHFFFAOYSA-N 363.461 3.662 0 40 FHAB COc1ccc(Oc2ncccc2NC(=O)NCc2ccccn2)cc1 58159917 HQVUFJFUPBDCHM-UHFFFAOYSA-N 350.378 3.599 0 40 FHAB COCCOc1ccc([C@@H](C)NC(=O)N(C)CC2CCCC2)cc1OC 58216119 FMILQBGCUIIXMS-OAHLLOKOSA-N 364.486 3.613 0 40 FHAB CCCN(Cc1noc(-c2cccs2)n1)C[C@@H]1COc2ccccc2O1 58413948 YMBLXAACMYCARB-CQSZACIVSA-N 371.462 3.850 0 40 FHAB Cc1sc(CNC(=O)C2CCOCC2)nc1-c1ccc(Cl)cc1 58423398 GFIQNYAKRFPDEK-UHFFFAOYSA-N 350.871 3.815 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c1C 61233885 SNLPPBYEXVFZHW-QGZVFWFLSA-N 364.449 3.996 0 40 FHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NCc1cn2ccsc2n1 62005029 DCPBIJNILGHYRF-AWEZNQCLSA-N 358.467 3.810 0 40 FHAB C[C@@H]1CCCN(CCCCNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)C1 65474290 UVWAGJFXUKECPU-MRXNPFEDSA-N 372.538 3.777 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCC(C)(C)C1OCCO1 74090036 PPWKOIGTTQWWDQ-UHFFFAOYSA-N 369.889 3.793 0 40 FHAB Cc1ccccc1C(=O)N1CC[C@H](N(C(=O)c2ccccc2C)C2CC2)C1 89689107 TTZREGDLSYPREK-IBGZPJMESA-N 362.473 3.823 0 40 FHAB COc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1 95453707 YMIMNCLKBRFLNW-KRWDZBQOSA-N 363.421 3.849 0 40 FHAB O=C(NCCSc1ccccc1)c1cc(Br)ncc1F 95465120 HNTDJXBSVWFWHW-UHFFFAOYSA-N 355.232 3.505 0 40 FHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCO[C@@H](C(C)C)C1 95994539 FLLUTSCILLJVQP-CQSZACIVSA-N 366.820 3.940 0 40 FHAB COc1ccc(C[C@H]2CN(C(=O)c3cc(C)oc3C)CC[C@H]2OC)cc1 96110257 DJAKWWZOXJTYGO-FXAWDEMLSA-N 357.450 3.625 0 40 FHAB COc1ccc(CN(C(=O)C2[C@@H]3CCCC[C@@H]23)C2CCN(C)CC2)cc1 100773942 WPTAPHDKNNHVOQ-WOJBJXKFSA-N 356.510 3.554 0 40 FHAB COc1ccc(-c2noc(CN(C)C(=O)Cc3cc(C)ccc3C)n2)cc1 219277965 XKVNWZLEUFPGJZ-UHFFFAOYSA-N 365.433 3.563 0 40 FHAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 222995017 KQTZENGVJGQRKX-IBGZPJMESA-N 366.505 3.871 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 223058241 ZPTXOZBAZKSKKW-IBGZPJMESA-N 372.896 3.744 0 40 FHAB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccco2)cc1 223882208 BRMSNJQGOUSQQR-RTBURBONSA-N 364.474 3.918 0 40 FHAB COc1ccc(CCCNC(=S)Nc2ccc(OC)cc2OC)cc1 225556014 ACRKOXGGFYSGQD-UHFFFAOYSA-N 360.479 3.632 0 40 FHAB CC(C)[C@H]1CC2(CCN(CC(N)=O)CC2)CO[C@@H]1c1ccccc1Cl 257344314 ZWPCADSXNFLETA-VQIMIIECSA-N 364.917 3.641 0 40 FHAB CCO[C@@](C)(C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1)C1CC1 260814672 MFRTUJJWHVWCIW-HTAPYJJXSA-N 374.525 3.941 0 40 FHAB O=C(c1cc(-c2ccccc2)ns1)N1CCCCC[C@H]1c1ncon1 329931739 ATWQMMIJMISLPE-HNNXBMFYSA-N 354.435 3.951 0 40 FHAB Cc1cc(=NC(=O)N2CCCn3c(cc4ccccc43)C2)[nH]n1C(C)C 333521263 KTFIHDVBONYUBK-UHFFFAOYSA-N 351.454 3.587 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1C 408617950 FFAOZIIZIQELFS-UHFFFAOYSA-N 372.368 3.773 0 40 FHAB Cc1ccc(Cl)cc1N1CC(=O)N(c2cc(Cl)ccc2C)CC1=O 409249289 NCVKSQROQQROLK-UHFFFAOYSA-N 363.244 3.990 0 40 FHAB Cc1ccc(-c2ccc(CN=c3cc[nH]c(C(=O)N(C)C)c3)s2)cc1 508467934 RHFMBUDYMKPJSA-UHFFFAOYSA-N 351.475 3.854 0 40 FHAB C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC2(CCCCC2)C1 521601865 JVFUXYBCBJSJLR-QUCCMNQESA-N 355.526 3.873 0 40 FHAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN([C@H]2CCCc3ccccc32)C1 548666010 VKSKQGUWEIQAOQ-ICSRJNTNSA-N 355.507 3.566 0 40 FHAB Cc1nn(CCNC(=O)COc2ccccc2F)c(C)c1-c1cccs1 575612864 NQXGEIYDPJPPRK-UHFFFAOYSA-N 373.453 3.563 0 40 FHAB C[C@H]1c2cc3c(cc2C2(CCCC2)CN1CC1(CC(=O)O)CC1)OCCO3 581195822 IXEYRTCRVFOAGH-HNNXBMFYSA-N 371.477 3.901 0 40 FHAB COc1ccccc1[C@H](C)N1CCN(C(=O)c2sccc2Cl)CC1 585081686 GRCQNMNNBHCKBJ-ZDUSSCGKSA-N 364.898 3.929 0 40 FHAB CCCc1ccc(C(=O)N2CC[C@H](c3ccccc3)S(=O)(=O)CC2)cc1 585394724 CXEAQMNHJLZQGP-HXUWFJFHSA-N 371.502 3.641 0 40 FHAB O=C(O)c1cccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587659923 KOPYUMWXCFUPIG-UHFFFAOYSA-N 360.344 3.890 0 40 FHAB COc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(=C2CC2)C3)cc1Cl 618257691 ZWOWUPJCXHRQGP-KBPBESRZSA-N 353.871 3.755 0 40 FHAB COCCOc1ccc(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)cc1F 665848595 WKXJHJIZMXENAJ-SCLBCKFNSA-N 358.413 3.701 0 40 FHAB C[C@H]1CCc2ccccc2N1CCNC(=O)c1cc(-c2cccs2)[nH]n1 1160572768 VHXBBASMRHWGMW-AWEZNQCLSA-N 366.490 3.709 0 40 FHAB O=C(N[C@H](c1cccs1)C1CCOCC1)[C@H]1CCc2ccccc2O1 1565523153 GRGFKLRXKJSSPP-MJGOQNOKSA-N 357.475 3.726 0 40 FHAB C[C@H](C(=O)Nc1c(-c2nc3ccccc3[nH]2)cnn1C)c1ccsc1 1588196725 BXWTXABMXXJRLG-NSHDSACASA-N 351.435 3.767 0 40 FHAB COC(=O)c1ccc(CN2CCC[C@@H]2c2nc(C)c(C)[nH]2)c2ncccc12 1655569673 VIWVLWPMMJYVBN-GOSISDBHSA-N 364.449 3.698 0 40 FHAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)o1)C1(c2ccc(F)cc2)CC1 1775965514 ASWDIVGDJXYAOH-OAHLLOKOSA-N 355.365 3.560 0 40 FHAB CC(=O)Nc1ccc(CN2CC(n3c(C4CC4)nc4ccccc43)C2)cc1 1775973314 PQBKBTPXHJKLNT-UHFFFAOYSA-N 360.461 3.929 0 40 FHAB Cc1ccc(C(C)C)cc1OCC(=O)NCC(=O)Nc1c(C)cccc1C 8984246 WSLXAOBCIXUYNO-UHFFFAOYSA-N 368.477 3.869 0 40 FHAB COc1ccc2oc(=O)c(-c3nnc(-c4ccccc4OC)o3)cc2c1 856263 VXEMONGFQOFESE-UHFFFAOYSA-N 350.330 3.527 0 40 FHAB COC(=O)c1cccc(NC(=O)c2cccnc2SCC(F)(F)F)c1 22523161 UHPBRTVBXLGLQY-UHFFFAOYSA-N 370.352 3.775 0 40 FHAB O=C(NC1CCCC1)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 2457603 NBJMHOONAVUPCL-CQSZACIVSA-N 350.724 3.569 0 40 FHAB O=C(COc1ccccc1)Nc1ccc(-n2nncc2-c2ccccc2)cc1 3582155 RKEBDSURYUWVQP-UHFFFAOYSA-N 370.412 3.952 0 40 FHAB Cc1c(O)ccc2c(CN3CCO[C@@H](c4ccc(F)cc4)C3)cc(=O)oc12 23057521 UHSJAAUOYNEPBG-LJQANCHMSA-N 369.392 3.520 0 40 FHAB Cc1cc(NC(=O)CSc2ncnc3sc4c(c23)CC[C@@H](C)C4)no1 928914 KVNZHMGWEPPTCT-SECBINFHSA-N 374.491 3.843 0 40 FHAB aggregator CCOC(=O)[C@]1(Cc2ccccc2)C(=O)Nc2cc(C(F)(F)F)ccc21 984161 WWWXNRRSFVPGTN-SFHVURJKSA-N 363.335 3.701 0 40 FHAB Cc1ccc(C(=O)Nc2ncc(I)cc2C)cc1C 6574297 SOFJZEXUXDEZSZ-UHFFFAOYSA-N 366.202 3.864 0 40 FHAB CCC(=O)Nc1nc2ccc(NC(=S)NC(=O)C(C)(C)C)cc2s1 7388556 UQBWNOMJZYEHGU-UHFFFAOYSA-N 364.496 3.504 0 40 FHAB COc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 7882506 PBIQCWLGARBLHG-INIZCTEOSA-N 360.413 3.840 0 40 FHAB O=C(c1ccccn1)N1CCN(Cc2sc3ccccc3c2Cl)CC1 23865688 WHPPVSIBOKTYOC-UHFFFAOYSA-N 371.893 3.908 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)c2ccc3c(c2)CCC(=O)N3)cc1 24538110 HIXVTKOHKKWBCT-LJQANCHMSA-N 350.418 3.557 0 40 FHAB CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)[C@H]1C[C@@H](C(C)(C)O)C(=O)O1 101660127 ONTNQSPOVPJIPN-BZUAXINKSA-N 369.502 3.553 0 40 FHAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccccc2N2CCOCC2)c1 12543343 RWKGSCMAQKSOOJ-UHFFFAOYSA-N 366.461 3.742 0 40 FHAB Cc1ncsc1C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 56274696 UFQYMUGWXQAYEY-GFCCVEGCSA-N 352.843 3.915 0 40 FHAB O=C(COC(=O)/C=C/c1ccco1)Nc1nc(-c2ccccc2)cs1 3272436 OGTHUILQIYUIML-CMDGGOBGSA-N 354.387 3.598 0 40 FHAB Oc1ccccc1N1CCN(Cc2ccc(Br)cc2F)CC1 57290134 JVVQQPSGPCYMOA-UHFFFAOYSA-N 365.246 3.616 0 40 FHAB Cc1cc(F)ccc1NC(=O)[C@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 103716220 FVFCFCSKDMNFON-HNNXBMFYSA-N 370.424 3.913 0 40 FHAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C/C(=N\NC(N)=S)CC[C@@]43C)[C@@H]1CC[C@@H]2O 12659395 YSALUCJHTGLMGQ-ZNOHYFKHSA-N 363.571 3.579 0 40 FHAB CC(=O)Nc1cccc([C@@H](C)NC(=O)CCSCc2ccccn2)c1 48247708 DYPGONXJEZMPSV-CQSZACIVSA-N 357.479 3.541 0 40 FHAB CCN(C(=O)c1cc(C)c(OCC(=O)OC)c(C)c1)c1ccccc1C 75108122 IHDDKIFJEHXSET-UHFFFAOYSA-N 355.434 3.830 0 40 FHAB COc1ccc(C)cc1C(=O)CSc1nnc(-c2ccoc2C)n1C 58180273 VCBBOINVHJOUCO-UHFFFAOYSA-N 357.435 3.676 0 40 FHAB O=C1C[C@H](Sc2nc3ccccc3o2)C(=O)N1c1ccc(F)c(F)c1 102242053 SDTZBDJLNRDPIA-AWEZNQCLSA-N 360.341 3.530 0 40 FHAB CCOc1ccc([C@H]2C[C@H](c3ccc(OC)cc3)Nc3ncnn32)cc1 2220695 KGHSQIYQIKCVPT-RTBURBONSA-N 350.422 3.832 0 40 FHAB COc1ccc(CC(=O)NC[C@@H](C)c2nc3ccccc3n2C(F)F)cc1 10639239 IMMRBKBECYZTGT-CYBMUJFWSA-N 373.403 3.902 0 40 FHAB COc1ccc2cc(C(=O)OCc3ccccc3[N+](=O)[O-])c(C)nc2c1 10725878 GSRCQKBVSIIWGB-UHFFFAOYSA-N 352.346 3.817 0 40 FHAB CCN1CCN([C@H](c2cccs2)[C@H](C)NC(=O)c2ccc(C)cc2)CC1 22460110 FYSSMAPBTFFJTD-PXNSSMCTSA-N 371.550 3.554 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)NCC2(c3ccccc3)CCCC2)c1C 29412317 PUTIOBHUCGARSL-UHFFFAOYSA-N 354.450 3.660 0 40 FHAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)c3cc(C)c(C)cc3C)C2=O)cc1 2625425 DBUZIEKXVIFYII-QFIPXVFZSA-N 364.445 3.570 0 40 FHAB Cc1cc(NC(=O)COC(=O)c2cc(C(C)C)cc(C(C)C)c2O)no1 3412138 IUJZLFUJSONPBK-UHFFFAOYSA-N 360.410 3.731 0 40 FHAB Cc1nn(Cc2ccccc2)c(Cl)c1COC(=O)c1cccc(O)c1 60793547 LVVJLPJQKYPLPR-UHFFFAOYSA-N 356.809 3.956 0 40 FHAB CC(C)Nc1nnc(S[C@H](C)C(=O)Nc2ccc(F)cc2F)s1 9050859 XULVMMOXPKZGPG-MRVPVSSYSA-N 358.439 3.756 0 40 FHAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@H]2c1ccc(Br)s1 71281544 XQIYJKCKPACAMT-ZETCQYMHSA-N 356.245 3.705 0 40 FHAB COc1ccc([C@H](CNc2ccc(Br)c(C)n2)N(C)C)cc1 95460586 QDIGNZSXZPRGLX-INIZCTEOSA-N 364.287 3.876 0 40 FHAB CCc1cccc2c(C(=O)C(=O)NCCOc3ccc(Cl)cc3)c[nH]c12 9227465 DTAWXRBQTUEBFC-UHFFFAOYSA-N 370.836 3.762 0 40 FHAB CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccccc1Cl 4321672 WIGUDZOANXRNPN-HZMBPMFUSA-N 364.854 3.552 0 40 FHAB CN(Cc1nc2ccccc2s1)Cn1nc(NC2CC2)sc1=S 14183119 HDRPRLFOMVQUQB-UHFFFAOYSA-N 363.537 3.948 0 40 FHAB C[C@H](OC(=O)c1cc(=O)c2ccccc2o1)C(=O)c1c[nH]c2ccccc12 6423108 YROJUGICUUAVLS-LBPRGKRZSA-N 361.353 3.703 0 40 FHAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 14244869 FCEHSBBJGYPJMA-UHFFFAOYSA-N 360.218 3.581 0 40 FHAB Cc1occc1-c1nnc(SCc2nnc(-c3ccc(F)cc3)o2)n1C 6602627 CUGHFSRBFCMJAR-UHFFFAOYSA-N 371.397 3.865 0 40 FHAB CCOc1ccc2oc(C(=O)OCC(=O)N3CCC[C@@H](C)C3)c(C)c2c1 7205699 BPXZWTOMCZFZQU-CYBMUJFWSA-N 359.422 3.555 0 40 FHAB Cc1ccc(Nc2nnc(SCC(=O)N[C@H](C)C(C)C)s2)cc1 7654450 QAVVSYATUVUKGF-GFCCVEGCSA-N 350.513 3.843 0 40 FHAB CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCCC[C@H]2C)cc1 9515355 DFIHHGCEQIRKLL-CQSZACIVSA-N 374.510 3.797 0 40 FHAB O=C(NCc1ccccc1)C1CCN(CCOc2ccccc2Cl)CC1 16396112 ZTKXLWIFDGFNGR-UHFFFAOYSA-N 372.896 3.747 0 40 FHAB c1cnc2c(CNCc3c[nH]nc3-c3ccc4c(c3)OCCO4)cccc2c1 68840096 YIGVPZRAELIAKC-UHFFFAOYSA-N 372.428 3.686 0 40 FHAB O=C(NCCc1ccc2c(c1)OCCO2)c1cc(C2CC2)nc2ccccc12 9613719 IHISPGWQVRXNOY-UHFFFAOYSA-N 374.440 3.856 0 40 FHAB Cc1cccc(OCCNC(=O)COc2cccc(Cl)c2Cl)c1 8509298 OXGRLRCZCOZBAZ-UHFFFAOYSA-N 354.233 3.876 0 40 FHAB CC(C)(C)OC(=O)N1CCC(n2c(=S)[nH]c3ccsc3c2=O)CC1 70460324 SBVWLDAXUDKMFJ-UHFFFAOYSA-N 367.496 3.693 0 40 FHAB CCc1ccc(O)c(NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)c1 72307574 DRYYTTMJINTTCY-FQEVSTJZSA-N 352.434 3.647 0 40 FHAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H]1COc2ccccc2O1 25986360 DZBHQZOCJFYULI-TZMCWYRMSA-N 363.866 3.777 0 40 FHAB COC(=O)COc1cccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1 25466686 FPMIWQINKMMFPP-UHFFFAOYSA-N 352.390 3.589 0 40 FHAB CC(=O)c1cc(NC(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)ccc1C 516192276 XTGLTZRUOQYQSZ-CYBMUJFWSA-N 365.433 3.965 0 40 FHAB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc[nH]3)C2=O)cc1 409330690 MCQBTFZUAZCWFZ-MHWRWJLKSA-N 369.446 3.813 0 40 FHAB CC[C@H](c1ccc(F)cc1)N(C)C(=O)CCn1cnc2ccccc2c1=O 36751891 UGWRDUMNMRCVBB-LJQANCHMSA-N 367.424 3.535 0 40 FHAB CCOC1(C(=O)N=c2ccn(-c3cccc(C(F)(F)F)c3)[nH]2)CCCC1 569325201 YZBBFUDYYFNBRK-UHFFFAOYSA-N 367.371 3.601 0 40 FHAB NC(=O)c1ccc(CN(C(=O)COc2ccc3ccccc3c2)C2CC2)cc1 31175503 VDANXYMNIORDMT-UHFFFAOYSA-N 374.440 3.509 0 40 FHAB COc1ccc(CC(=O)NCc2cccnc2Oc2cccc(F)c2)cc1 32924733 NMSVVDNNPSRJAA-UHFFFAOYSA-N 366.392 3.881 0 40 FHAB Fc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3nnnn32)cc1 72332418 ZPNAZZJEQDYLJF-GJZGRUSLSA-N 374.217 3.721 0 40 FHAB O=C(Nc1nccs1)c1cc(O)c(OCc2ccccc2Cl)cn1 49550980 NWRKWEDTNPRIPI-UHFFFAOYSA-N 361.810 3.728 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1C 42185145 FPIZGFVDMDMCFW-HZPDHXFCSA-N 355.434 3.719 0 40 FHAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 222860288 QFVZPBHHUNTEQS-MOPGFXCFSA-N 363.490 3.650 0 40 FHAB COc1ccc(O[C@H](C)C(=O)NCCOc2cccc3ccccc23)cc1 223539453 XRCKQTDYUUATKZ-MRXNPFEDSA-N 365.429 3.811 0 40 FHAB COc1ccc(NS(=O)(=O)c2ccc(-c3ccc(C=O)o3)cc2)cc1 226306444 NTAYXIPVRZQLNC-UHFFFAOYSA-N 357.387 3.569 0 40 FHAB COc1ccccc1OCC(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225130871 RKOPUNGAKHDWBI-UHFFFAOYSA-N 372.446 3.670 0 40 FHAB O=C(NCCOc1ccccc1Cl)c1ccc(Br)cc1 223374249 JJZDCBHXLPIBOC-UHFFFAOYSA-N 354.631 3.911 0 40 FHAB CCOc1ccccc1CCCNC(=O)c1ccc(Cn2ccnc2)cc1 44909994 VYWMRVSZWGDKGQ-UHFFFAOYSA-N 363.461 3.693 0 40 FHAB Cc1ccc(F)cc1C1(c2noc([C@@H]3COCCN3C3CCCC3)n2)CC1 329634595 XPNYCBRMUYZDNT-SFHVURJKSA-N 371.456 3.913 0 40 FHAB CC[C@@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1)c1ccc(C)c(C)c1 222423214 XMFVDIGYNZKUMM-LJQANCHMSA-N 374.506 3.580 0 40 FHAB COc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCCCC2)cc1 224977817 YZTQRWXHOFOEKN-UHFFFAOYSA-N 364.442 3.625 0 40 FHAB O=C1OC(c2ccccc2OC(F)F)=N/C1=C/c1ccc(F)c(F)c1 97996698 BWUMXMZKDRJVPX-MDWZMJQESA-N 351.255 3.911 0 40 FHAB Nc1nc(CN2CCC[C@H]2c2ccccc2)nc(Nc2ccc(F)cc2)n1 97011902 RYQYKUARDMXPKV-KRWDZBQOSA-N 364.428 3.674 0 40 FHAB COCc1ncsc1C(=O)NC(C)(c1ccccc1)c1ccccc1 585080893 JVFJGJFIWDFJLR-UHFFFAOYSA-N 352.459 3.983 0 40 FHAB CCOc1cccc2cc(S(=O)(=O)c3ccc(CC)cc3)c(=O)oc12 98212023 OYOZBINRVSVOBE-UHFFFAOYSA-N 358.415 3.587 0 40 FHAB CC(C)n1nccc1-c1cnc(CC2CCN(C(=O)C(C)(C)C)CC2)cn1 257306391 SUCWBWULNSBBKZ-UHFFFAOYSA-N 369.513 3.748 0 40 FHAB O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)Nc1ccc2c(c1)CCC2=O 667164643 BGFYGXCDYCNWBF-WMZOPIPTSA-N 350.418 3.510 0 40 FHAB CC(C)c1[nH]ccc1C(=O)N1CCOC[C@@H]1c1nc2ccccc2s1 671849049 XWZRCBGRIFZOGX-OAHLLOKOSA-N 355.463 3.962 0 40 FHAB COCC[C@H]1CN(C(=O)c2ccc(F)c(Cl)c2)Cc2cccn2C1 585095486 SZWPELRHCUVCJZ-CYBMUJFWSA-N 350.821 3.589 0 40 FHAB O=C(N[C@@H]1CCc2c(F)cccc21)N(CCO)[C@H]1CCCc2ccccc21 674148607 JSGUCPOZIYKSQD-RTWAWAEBSA-N 368.452 3.895 0 40 FHAB O=C(CCc1ccc(O)c(Cl)c1)NCc1c(F)cc(F)c(F)c1F 1083842736 POUSSQJSBKIRAN-UHFFFAOYSA-N 361.722 3.851 0 40 FHAB O=C(CSc1nc2cc(Br)cnc2[nH]1)c1ccc(F)cc1 5248947 TZXSFEISVCMDLP-UHFFFAOYSA-N 366.215 3.835 0 40 FHAB CC(C)Oc1ccc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2cccnc2)cc1 12134986 HBZYLPHEUVFRFD-TYABSZSSSA-N 366.505 3.989 0 40 FHAB Cc1cnc(-c2nc(C3CCN(Cc4ccccc4Cl)CC3)no2)cn1 12337366 FSMPYECCXBTVSF-UHFFFAOYSA-N 369.856 3.868 0 40 FHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc2ccccc2n1 13003152 HDYUHAGRCFKHBB-UHFFFAOYSA-N 369.371 3.614 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(C)c1 14796055 RMLJJKLIRKBQCI-MRXNPFEDSA-N 354.450 3.931 0 40 FHAB Cc1ccc2[nH]c(C)c(CC(=O)N3CCCC[C@H]3CN3CCCC3)c2c1 19220068 LMVQEDAHOTWMLQ-SFHVURJKSA-N 353.510 3.804 0 40 FHAB Cc1nccn1CCCC(=O)N[C@@H](Cc1ccsc1)c1nccs1 19288111 NTIDZUDBTIOQAI-HNNXBMFYSA-N 360.508 3.590 0 40 FHAB CCCn1cc(-c2cncn2CC2(c3ccccc3)CCOCC2)cn1 19719663 LBLSSSCWGQDCGH-UHFFFAOYSA-N 350.466 3.905 0 40 FHAB CN1C(=O)S/C(=C/c2ccc(OCCOc3ccccc3)cc2)C1=O 6440475 BLWKTHVVSBOCGJ-GHRIWEEISA-N 355.415 3.811 0 40 FHAB Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](N)c1ccccc1 306122178 QOFZYOSOELDKMC-BQJUDKOJSA-N 367.541 3.968 0 40 FHAB in-vitro O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(N2CCCC2)cc1 10430408 KQLAVVYMIKWBFW-UHFFFAOYSA-N 368.462 3.970 0 40 FHAB C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)N1c2ccccc2C[C@@H]1C 6035420 GYNVQZSFBBAOHH-RYUDHWBXSA-N 370.503 3.992 0 40 FHAB Brc1ccccc1CN1CC[C@@H]2CN(c3ccccn3)C[C@H]21 1889125173 CHESJSDMWUDWQB-NVXWUHKLSA-N 358.283 3.555 0 40 FHAB Cn1nccc1-c1ccc(CCNC(=O)CCSc2ccccc2)cc1 1889269656 NUNRYCXOPSJBQX-UHFFFAOYSA-N 365.502 3.928 0 40 FHAB CC[C@@H](C(=O)N(c1ccc(F)cc1)[C@H]1C=CS(=O)(=O)C1)c1ccccc1 4165456 ZGOJWYREMXTGAU-RBUKOAKNSA-N 373.449 3.663 0 40 FHAB COc1ccccc1NC(=O)N1CCC[C@H](COc2ccnc(C)c2)C1 1775970344 CPBZGFHSUDPTIS-INIZCTEOSA-N 355.438 3.722 0 40 FHAB O[C@H](COC[C@H]1C[C@H]2CC[C@H]1C2)CN1CCC(Cc2ccccc2)CC1 106219869 LEDFADQRHWJSEN-GPJHCHHRSA-N 357.538 3.755 0 40 FHAB O=C(CSCc1ccccc1)NC[C@H](c1ccsc1)n1cccn1 575613044 FFGUGJRPGGYEBF-QGZVFWFLSA-N 357.504 3.584 0 40 FHAB COc1ccc2cc(CNC(=O)NCC(C)(C)N3CCCCC3)ccc2c1 10465739 SGXHLLBDVAVAFV-UHFFFAOYSA-N 369.509 3.912 0 40 FHAB CCOCCCC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 40112639 JJCUGYRLNWFNIC-IBGZPJMESA-N 372.534 3.780 0 40 FHAB CC(C)c1noc(CCC(=O)N2CCc3c([nH]c4ccccc34)[C@H]2C)n1 40156073 JFPPTELYGQVUAC-CYBMUJFWSA-N 352.438 3.753 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)CCc1ccccc1Cl)CC2 31035364 NJPKTHOCGBYEGB-UHFFFAOYSA-N 359.853 3.875 0 40 FHAB COc1ccc([C@H](C)NCCCCN2C(=O)c3ccccc3C2=O)cc1F 32836289 WOXSUPMLWNDSMX-AWEZNQCLSA-N 370.424 3.561 0 40 FHAB Cc1cc2cc3c(cc2nc1SCC(=O)NC1CCCCC1)OCCO3 928310 LTQAOOXLQSMEBM-UHFFFAOYSA-N 372.490 3.855 0 40 FHAB COc1ccc(NC(=O)c2nnn(-c3cccc(F)c3)c2C)cc1Cl 2715818 RHDZAIJIPBQKPQ-UHFFFAOYSA-N 360.776 3.629 0 40 FHAB COc1ccccc1NC(NC(=O)C(C)C)(C(F)(F)F)C(F)(F)F 3024812 ZSWKRAGNCTXHIM-UHFFFAOYSA-N 358.282 3.700 0 40 FHAB CCCCOc1ccc(C(=O)OCC(=O)N2CCc3ccccc32)cc1 3319211 KMNHGPXBKSLGDO-UHFFFAOYSA-N 353.418 3.612 0 40 FHAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)Cn2cnc3ccccc32)cc1 3323565 YTBDCDQGAYNFAT-OAHLLOKOSA-N 365.433 3.732 0 40 FHAB CSc1ncccc1C(=O)Nc1ccc(I)cc1 3517032 KBWGBGSFXWMLPT-UHFFFAOYSA-N 370.215 3.660 0 40 FHAB COc1ccc(OCCCC(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2)cc1 4242996 NMGMIIGKSMYCLM-INIZCTEOSA-N 371.433 3.733 0 40 FHAB Cc1ccc2nc(COC(=O)c3ccc(Cl)cc3Cl)cc(=O)n2c1 5429972 XNQBFNDACWDODD-UHFFFAOYSA-N 363.200 3.667 0 40 FHAB COc1ccc(CCNC(=O)COc2ccc(C(C)(C)C)cc2)cc1OC 5471499 FBTVYZZTOAMPBD-UHFFFAOYSA-N 371.477 3.739 0 40 FHAB Cc1ccccc1C(=O)NCc1nnc2c(C(F)(F)F)cc(Cl)cn12 5483398 LVOCJRADYINBSS-UHFFFAOYSA-N 368.746 3.640 0 40 FHAB CCC[C@H](C)NC(=O)COC(=O)c1ccccc1COc1ccccc1 6346371 JTROANLDWVZVCJ-INIZCTEOSA-N 355.434 3.727 0 40 FHAB CCCCC(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(OC)c1 6594151 ILXUQZUENKCBLT-UHFFFAOYSA-N 352.390 3.625 0 40 FHAB O=C(c1ccccc1)c1ccc2nc(Nc3ccccc3)c3nnnn3c2c1 6896599 VJHWMBXWXKDPLW-UHFFFAOYSA-N 366.384 3.647 0 40 FHAB C[C@H](OC(=O)Cc1cccs1)C(=O)Nc1ncc(Cl)cc1Cl 7194471 KHJPYBGEYRFUCM-QMMMGPOBSA-N 359.234 3.563 0 40 FHAB O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1ccccc1C(=O)NC1CC1 7596928 UFZPKBTYDMDPGL-KPKJPENVSA-N 372.371 3.832 0 40 FHAB CC(C)C[C@H](C(=O)OCc1ccccc1F)N1C(=O)c2ccccc2C1=O 7782380 NJANPLLYYPGDNR-GOSISDBHSA-N 369.392 3.580 0 40 FHAB C[C@@H](NC(=S)Nc1ccc(Br)cc1Cl)[C@@H]1CCCO1 8264702 CFIJOJVWUDNHAA-PELKAZGASA-N 363.708 3.956 0 40 FHAB O=C(CCCSc1nc2ccccc2[nH]1)Nc1ccc2c(c1)OCO2 8310605 QVGNEVJMTQCLIG-UHFFFAOYSA-N 355.419 3.803 0 40 FHAB C[C@@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccco1 8520766 PWPRNJWLEORTNW-LLVKDONJSA-N 368.418 3.780 0 40 FHAB O=C(CCc1ncc(-c2ccccc2)o1)N1CCN(c2ccccc2)CC1 8711035 IQMZOEWKUOXDIY-UHFFFAOYSA-N 361.445 3.623 0 40 FHAB COC(=O)c1ccc(NC(=O)c2occc2COc2ccccc2)cc1 8735255 VFHKAAJEILPVHC-UHFFFAOYSA-N 351.358 3.898 0 40 FHAB CCc1c(C)nc(SCC(=O)Nc2ccc(Cl)cc2Cl)[nH]c1=O 9453648 FFBWERHHUBSHIA-UHFFFAOYSA-N 372.277 3.678 0 40 FHAB Cc1cc(C(=O)/N=c2/[nH]c3ccccc3s2)c2cnn(C(C)C)c2n1 9954887 NVFFWTVLAFMDFA-UHFFFAOYSA-N 351.435 3.605 0 40 FHAB COc1ccc([C@@H]2CCCN2CC(=O)NCc2ccc(C)c(F)c2)cc1 10053778 PXEMPMCLEAYVDO-FQEVSTJZSA-N 356.441 3.596 0 40 FHAB COc1cccc(-c2nnc3sc(-c4ccc(OC)cc4OC)nn23)c1 10311663 WMTKFHROVVMRBU-UHFFFAOYSA-N 368.418 3.546 0 40 FHAB COc1ccc(-c2ccnc3[nH]n(-c4nc5ccccc5s4)c(=O)c23)cc1 10338969 DKFNTOOXLLTCIW-UHFFFAOYSA-N 374.425 3.999 0 40 FHAB O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1cccc2c1CCCC2 10683126 GGHQPVYMKWUEEZ-UHFFFAOYSA-N 370.836 3.583 0 40 FHAB COc1ccc(-c2nsc(NC(=O)COc3c(C)cccc3C)n2)cc1 12062974 CQOGXRWKKAIKDQ-UHFFFAOYSA-N 369.446 3.848 0 40 FHAB COc1ccccc1C1(NC(=O)c2ccc(Cn3cccn3)o2)CCCC1 12144702 IVCUHVVFRCKNGQ-UHFFFAOYSA-N 365.433 3.732 0 40 FHAB CC(=O)NC1(c2ccccc2)CCN(C[C@H](O)c2ccc(Cl)cc2)CC1 12188419 KEZUOKGHUINGQQ-FQEVSTJZSA-N 372.896 3.501 0 40 FHAB Cc1cc(C)n(CCCC(=O)N[C@H](Cc2ccsc2)c2cccnc2)n1 12228540 QWNXIOCDTSKJFF-LJQANCHMSA-N 368.506 3.837 0 40 FHAB CSCC[C@H](NC(=O)COc1ccccc1)c1nc2ccccc2[nH]1 12542441 LXDIFNWKLMPJBJ-KRWDZBQOSA-N 355.463 3.552 0 40 FHAB CCOc1ccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1OC 12772872 YZMHOBOSJLDXIU-UHFFFAOYSA-N 354.410 3.672 0 40 FHAB CC(C)(C)C(=O)COC(=O)c1ccccc1NC(=O)Cc1cccs1 12778861 ZPQORFYRWTXVMW-UHFFFAOYSA-N 359.447 3.701 0 40 FHAB COc1ccc([C@H]2CCCN2CC(=O)N(C)C2CCC(C)CC2)c(OC)c1 12797453 KNKAQRGKCPNLHN-LBXVMSDZSA-N 374.525 3.878 0 40 FHAB Cc1ccc(CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)cc1 12818337 PTNPVVZFZBSXCY-GOSISDBHSA-N 373.250 3.725 0 40 FHAB O=C(c1ccccc1)N1CCN(C(=O)c2ccc3c4c(cccc24)CC3)CC1 12972808 CVPZIQHWFMJXFX-UHFFFAOYSA-N 370.452 3.537 0 40 FHAB CCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccc(OC)cc1 13647326 VYDKTMFWHCOTAA-UHFFFAOYSA-N 350.418 3.788 0 40 FHAB Cc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc(C(C)C)cc3)cn2)cc1 13806814 ZEGXKPVYYQZNHS-UHFFFAOYSA-N 361.445 3.981 0 40 FHAB COc1cc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)cc(OC)c1 14017428 GGMSOPCTKUEVIA-HNNXBMFYSA-N 357.406 3.514 0 40 FHAB Cc1ccc(-c2nc(C(=O)OCCn3c(C)csc3=O)cs2)cc1 14119899 ICTZDAJAWGJHGB-UHFFFAOYSA-N 360.460 3.507 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)N[C@@H](c1ccccc1)C(C)C 14141367 SBTSBBRJFWHMJY-OAQYLSRUSA-N 355.434 3.790 0 40 FHAB CCc1cccc(CC)c1NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 14154593 WSLNHAZECQMBPQ-OAHLLOKOSA-N 374.506 3.605 0 40 FHAB CC(C)[C@@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1cccs1 14171698 PAQVHCMNVUQNRK-LJQANCHMSA-N 369.490 3.821 0 40 FHAB COc1ccc(S(=O)(=O)N2CCc3cc4ccc(C)cc4nc32)cc1C 15841955 PFZLISQEMWFLIE-UHFFFAOYSA-N 368.458 3.612 0 40 FHAB Cc1nn2c(nc1=O)SC[C@@H](Sc1ccccc1)[C@@H]2c1ccccc1 16779256 YVFSJUHCEQPPGQ-SJORKVTESA-N 367.499 3.803 0 40 FHAB Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3C)c(C)c1C 16975857 YKOQVPGOCVDKDK-UHFFFAOYSA-N 372.490 3.548 0 40 FHAB Cc1cc(C)cc(NC(=O)Cn2cnc3c(sc4ccccc43)c2=O)c1 17010757 GRJYNDOMQROTKF-UHFFFAOYSA-N 363.442 3.867 0 40 FHAB CCSc1nnc(NC(=O)CCC(=O)O[C@@H]2CC[C@@H](C)[C@@H](C)C2)s1 20034748 VMNYEIIOJLFNOI-GRYCIOLGSA-N 371.528 3.737 0 40 FHAB Cc1nc(NC(=O)COc2ccc(Cl)cc2)nc2c1C(=O)CC(C)(C)C2 20633894 NCOCMCXKVUMSQC-UHFFFAOYSA-N 373.840 3.611 0 40 FHAB CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(C(C)C)cc1)C3 20671703 PHNHFHPIHKNPIJ-CQSZACIVSA-N 352.463 3.882 0 40 FHAB O=S(=O)(NCC1(c2ccccc2)CC1)c1cccc(C(F)(F)F)c1 22287234 RUNPQSMCPKZWMJ-UHFFFAOYSA-N 355.381 3.716 0 40 FHAB CC(C)COc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 22288868 KBZFRWXNPJAIEJ-UHFFFAOYSA-N 368.477 3.806 0 40 FHAB COc1ccc(CNC(=O)N2CCC(c3nnc(C4CC4)s3)CC2)cc1 23140974 OETFPGWQXYHVRN-UHFFFAOYSA-N 372.494 3.513 0 40 FHAB Cc1ccccc1NCCC(=O)Nc1cccc(NC(=O)NC2CC2)c1 24441106 PBQJLASRQIHZTQ-UHFFFAOYSA-N 352.438 3.720 0 40 FHAB O=C(Cc1csc(-c2ccco2)n1)Nc1ccc(-n2cccn2)cc1 24571390 GCGIKNSDESKRAD-UHFFFAOYSA-N 350.403 3.770 0 40 FHAB Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N[C@H](C)c1cccs1 25071958 XVQFGZFIIIZYFI-CYBMUJFWSA-N 356.495 3.765 0 40 FHAB CCc1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1 25467029 WMPKVZVPQLOVGZ-UHFFFAOYSA-N 374.843 3.640 0 40 FHAB CCOC(=O)/C=C/c1ccc(NS(=O)(=O)c2cc(C)sc2C)cc1 28790987 XNULYKFRJBGBAK-JXMROGBWSA-N 365.476 3.742 0 40 FHAB CCOc1ccc(OC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 29468106 TUMFDWVUBUTLRL-UHFFFAOYSA-N 368.433 3.935 0 40 FHAB COc1cccc(/C=C/C(=O)NC[C@H](c2cccs2)N2CCCC2)c1 32238933 JCIKODRKMWPOGE-QZEKMECESA-N 356.491 3.723 0 40 FHAB CN(C)[C@@H](CNC(=O)c1cc(F)cc(Br)c1)c1ccsc1 32930972 LYDMUWHIZMRHQD-AWEZNQCLSA-N 371.275 3.682 0 40 FHAB Fc1ccc(-c2cc3c(N4CCN(c5ccccc5)CC4)nccn3n2)cc1 33266293 KYGUEMHGQZLWCH-UHFFFAOYSA-N 373.435 3.862 0 40 FHAB O=C(c1cccs1)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 35597660 BYRYZGPXZBXANL-UHFFFAOYSA-N 357.410 3.957 0 40 FHAB CC(C)OC(=O)C[C@@H](NC(=O)CCc1ccccc1O)c1ccccc1 36625194 TWAAXFMIDAQEFC-GOSISDBHSA-N 355.434 3.524 0 40 FHAB Cc1cc(C)c(C(=O)Cn2nc(N)n(Nc3cccs3)c2=S)c(C)c1 36625644 PDZWHSHUFOMCPW-UHFFFAOYSA-N 373.507 3.741 0 40 FHAB C[C@H]1CCCN(C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C(C)(C)C)C1 36741247 ZPEYWJQWUCUFET-JXFKEZNVSA-N 358.526 3.777 0 40 FHAB C[C@H]1CC(=O)c2c(OCC(=O)Nc3cc(C(C)(C)C)no3)ccc(F)c21 40068619 TWPIFHVHZFGISG-JTQLQIEISA-N 360.385 3.819 0 40 FHAB Cn1ccnc1COc1ccc(C(=O)NCCSc2ccccc2)cc1 40119558 AUZREXBQTFWKBQ-UHFFFAOYSA-N 367.474 3.521 0 40 FHAB CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(c3ncccc3Cl)C2)cc1 40134910 XKZZUXPRSYSTMU-AWEZNQCLSA-N 372.856 3.549 0 40 FHAB CC(C)Oc1ccccc1CNC(=O)C(=O)Nc1ccc(Cl)cc1F 42645916 HBYAVLFMVCQKFC-UHFFFAOYSA-N 364.804 3.521 0 40 FHAB O=[S@@](CCSc1nnc2ccc(C(F)(F)F)cn12)c1ccccc1 47222483 JCJURUWVQQAQSR-XMMPIXPASA-N 371.409 3.648 0 40 FHAB Cc1cc(Cl)ccc1NC(=O)NC1CCN(Cc2ccncc2)CC1 47325801 CMMZBQAKXFLTLL-UHFFFAOYSA-N 358.873 3.830 0 40 FHAB COc1cc(CNCc2cccc(Br)c2)cc(OC)c1OC 48301126 DYAMNAAVHAMVLV-UHFFFAOYSA-N 366.255 3.765 0 40 FHAB C[C@H](Sc1ccccc1)C(=O)N[C@H](c1ccccc1)c1nccn1C 48324915 BYUIQOVFVVUPER-MAUKXSAKSA-N 351.475 3.807 0 40 FHAB O=C(CCCOc1ccccc1F)NCCc1cccc2cccnc12 48374640 PSTOYSYPSGZANW-UHFFFAOYSA-N 352.409 3.892 0 40 FHAB CN(C)c1c(Cl)cccc1NC(=O)NCCCOCc1ccco1 48739497 SDBDRZBRAXPLBM-UHFFFAOYSA-N 351.834 3.727 0 40 FHAB Cc1cccc2nc(C(=O)O[C@@H](C)C(=O)C34CC5CC(CC(C5)C3)C4)cn12 49783089 KSDLDLBFHPZGCL-HIGJEIRPSA-N 366.461 3.974 0 40 FHAB NC(=O)c1ccc(-c2nc(CSc3nccn3C3CC3)cs2)cc1 52891795 RTESZGJGCDQWJP-UHFFFAOYSA-N 356.476 3.733 0 40 FHAB O=C(Nc1ccccc1)c1cccc(Cn2ncc(Cl)c(Cl)c2=O)c1 54153304 KYQCGNAFWHEPET-UHFFFAOYSA-N 374.227 3.851 0 40 FHAB C[C@@H]1Oc2ccccc2N(CCC(=O)N2CCC[C@@H]2C2CCCCC2)C1=O 55599967 VUBGLYKUTPAHFZ-FUHWJXTLSA-N 370.493 3.762 0 40 FHAB CN(C)c1c(F)cc(NC(=O)c2ccccc2N(C)C(=O)C2CC2)cc1F 56122392 JKTBOFDUFUPJEG-UHFFFAOYSA-N 373.403 3.656 0 40 FHAB Cc1ccc(-c2noc(-c3cccn3CC(=O)N3CCCCC3)n2)cc1 57486846 QDQUOEJBUNGWQT-UHFFFAOYSA-N 350.422 3.526 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)N(C)c1cccc(Br)c1 58086517 IODMEFPBQRBGLQ-UHFFFAOYSA-N 358.232 3.722 0 40 FHAB Cc1ccc(-c2noc(CCC(=O)N3CCn4cccc4[C@@H]3C)n2)cc1F 58168703 UMAPJGIRGLEZDJ-AWEZNQCLSA-N 368.412 3.522 0 40 FHAB CCc1cccc(NC(=O)c2cccc(NC(=O)CCn3ccnc3)c2)c1 58225360 XINSUXTZCSCORQ-UHFFFAOYSA-N 362.433 3.727 0 40 FHAB COC(=O)c1cc(NC(=O)NCc2ccc(Cl)cc2)c(F)cc1F 58439638 RXMIBBHCGAZARM-UHFFFAOYSA-N 354.740 3.727 0 40 FHAB Cn1c2c(sc1=O)[C@@H](c1ccc(F)cc1)CC(=O)N2c1ccc(F)cc1 66089787 DHDMDDSSGVXQTA-OAHLLOKOSA-N 372.396 3.925 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2NC2CC2)cc1 72213757 LNCJATOZXPSULP-IBGZPJMESA-N 371.506 3.880 0 40 FHAB CC[C@@H](NC(=O)N1CCC[C@@H]1c1cccn1C)c1ccc2c(c1)OCCO2 79746989 GVKNPDLISYNXHO-SJLPKXTDSA-N 369.465 3.794 0 40 FHAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC(Oc2ccccn2)CC1 90607486 FJNPSQBGOUACLU-UHFFFAOYSA-N 350.340 3.784 0 40 FHAB COCCCOc1ccccc1NC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C 92734141 KNBCODJJIPGNBV-QGZVFWFLSA-N 372.469 3.811 0 40 FHAB C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CC=C(c2cccnc2)CC1 95454758 AVRJXPSWBLNBKT-CQSZACIVSA-N 373.403 3.799 0 40 FHAB CC(C)C[C@@H]1C[C@@H](NC(=O)Nc2ccn(Cc3ccccc3)n2)CCO1 95464581 AUQOXHHUHTXKLZ-ZWKOTPCHSA-N 356.470 3.647 0 40 FHAB COc1ccc(CN2CC[C@@]3(C[C@H](Nc4ccc(OC)cc4)CO3)C2)cc1 96047629 FTYOTOMNKQDXBK-SIKLNZKXSA-N 368.477 3.549 0 40 FHAB O=C1N(c2cccnc2)CC12CCN(Cc1ccc(Cl)c(F)c1)CC2 96202958 CYCDXXMAPGBOJI-UHFFFAOYSA-N 359.832 3.503 0 40 FHAB Cc1ccccc1N1C[C@@]2(CCN(C(=O)Nc3ccc(F)cc3)C2)CC1=O 96238613 FYUVDWRKQTWYFR-NRFANRHFSA-N 367.424 3.795 0 40 FHAB Cc1cccc(CN2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)n1 96239611 FATVPHHEOZMEKI-IBGZPJMESA-N 358.436 3.523 0 40 FHAB O=C(C1CCCC1)N1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 98211738 DUHAIRALRPXWRX-UHFFFAOYSA-N 358.873 3.569 0 40 FHAB O=C(NC[C@@H]1COc2ccccc2O1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 103429785 ZAWJMHFLSGRYSZ-IXERNEQCSA-N 361.869 3.520 0 40 FHAB O=C(Nc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H]1C(=O)Nc2ccccc21 103445600 VEZOTHCGGRXUMK-LJQANCHMSA-N 372.380 3.722 0 40 FHAB Cn1c(CN2CCO[C@H](c3ccccc3Cl)C2)nnc1-c1ccccc1 103490047 RATLAFUNSQTNAV-SFHVURJKSA-N 368.868 3.709 0 40 FHAB Cc1ccccc1CS(=O)(=O)NCCOc1ccc(C(C)(C)C)cc1 224167518 NPBMSPARKDVTNE-UHFFFAOYSA-N 361.507 3.791 0 40 FHAB CCC[C@@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1 224195457 OKVWFFYBRQPWHQ-MRXNPFEDSA-N 374.506 3.739 0 40 FHAB CCOc1ccccc1CCCNC(=S)Nc1ccc2c(c1)OCO2 225395872 ABENUENSIKFGJK-UHFFFAOYSA-N 358.463 3.733 0 40 FHAB O=C(NCC1CCN([C@@H]2CCSC2)CC1)c1cccc(C(F)(F)F)c1 225570206 HSXOHZGWBVFKTC-MRXNPFEDSA-N 372.456 3.653 0 40 FHAB O=C(N[C@@H](c1cccnc1)C1CCOCC1)C1(c2ccc(F)cc2)CC1 225623252 IGZKCFZAHGHVEH-LJQANCHMSA-N 354.425 3.536 0 40 FHAB CCCCOc1ccc(NC(=O)[C@](C)(CC)OC)cc1C(=O)OCC 225790799 CAXWRSYIEOMXLS-IBGZPJMESA-N 351.443 3.796 0 40 FHAB CCCOc1ccc(NC(=O)[C@@](C)(CC)OCCC)cc1C(=O)OC 225838442 WKMJHDQRVMLNDB-LJQANCHMSA-N 351.443 3.796 0 40 FHAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCOC)nc1C 225907368 UASSZXCNIQOTIZ-IBGZPJMESA-N 352.475 3.729 0 40 FHAB Cc1ccc2c(c1)OC1(CCN(Cc3nccn3C)CC1)[C@H]1CCCO[C@H]21 257319222 VRJALEGUMYMYBL-GHTZIAJQSA-N 367.493 3.623 0 40 FHAB O=C(c1cccnc1)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257331678 XTUMTQITVTXHSO-GOSISDBHSA-N 351.381 3.777 0 40 FHAB CCC(=O)N1CCC2(CC1)Oc1ccccc1-c1ncn(CC3CCC3)c12 306140416 UTEWFZASPYSARC-UHFFFAOYSA-N 365.477 3.970 0 40 FHAB CN1CCN(C(=S)c2ccccc2OCc2ccc(Cl)cc2)CC1 408574239 LDTOIGWAIDVHPV-UHFFFAOYSA-N 360.910 3.842 0 40 FHAB C[C@@H]1CCC[C@@H]2C1=NN(C(=O)c1cccc(Cl)c1)[C@]2(O)C(F)(F)F 409173058 LGSYHAFFMJJPAV-DDHOLCJHSA-N 360.763 3.839 0 40 FHAB Cc1cc(C(=O)N2N=C3CCCC[C@@H]3[C@]2(O)C(F)(F)F)ccc1Cl 409182105 IVQNOFIOPJGOIC-NHYWBVRUSA-N 360.763 3.901 0 40 FHAB CCn1cccc(NC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)c1=O 573224391 HZGIAURSMSXDDU-QGZVFWFLSA-N 365.437 3.504 0 40 FHAB Cc1c(C(=O)N2CC[C@@H](n3cnc4ccccc43)C2)cnn1-c1ccccc1 575617322 NVECNBKEJYSUMP-GOSISDBHSA-N 371.444 3.618 0 40 FHAB CC(=O)N1CCC[C@H](NCc2ccccc2F)[C@@H]1Cc1cccc(C)c1 585285450 JYGFHSOIYMYVAL-VXKWHMMOSA-N 354.469 3.846 0 40 FHAB O=C(Cc1cncc2ccccc12)NC1(Cc2ccccc2)CCOCC1 1119103651 BXVKENYODSUQQN-UHFFFAOYSA-N 360.457 3.685 0 40 FHAB Cc1c(I)cccc1NC(=O)Nc1cccnc1 1185686012 FLDVLMCPJYLCKI-UHFFFAOYSA-N 353.163 3.639 0 40 FHAB O=C1NCCN1c1cccc(C(=O)N2CCC[C@@H]2C[C@H]2C[C@H]3CC[C@H]2C3)c1 1251523767 XEGHYBHRKSKRSG-RNIPGJKVSA-N 367.493 3.647 0 40 FHAB C=CC(=O)Nc1cccc(C(=O)N2CCS[C@H](c3ccccc3)C2)c1 1557378897 BCKBVSVXGIOJFU-SFHVURJKSA-N 352.459 3.741 0 40 FHAB Cc1cc(S(=O)(=O)N2CCC[C@@H]2Cc2ccccc2Cl)sn1 1661021531 GZGHGLVSPAIQHY-CYBMUJFWSA-N 356.900 3.501 0 40 FHAB CCOC(=O)c1ccc(-c2coc3cc(OC(C)=O)c(CC)cc3c2=O)o1 630541 JSTQOOFVDVEGOK-UHFFFAOYSA-N 370.357 3.717 0 40 FHAB biogenic O=C(COc1ccccc1)NCc1nc2ccccc2n1Cc1ccccc1 646674 KFFHBHJIZFQLPL-UHFFFAOYSA-N 371.440 3.780 0 40 FHAB CC(=O)Nc1cccc(NC(=O)CCn2cnc3cc(C)c(C)cc32)c1 880779 ZDYSMTNJGQAFSL-UHFFFAOYSA-N 350.422 3.640 0 40 FHAB COc1ccc(NC2=C(Cl)C(=O)N(c3cc(C)ccc3C)C2=O)cc1 939910 QVAORJAHDMUGOO-UHFFFAOYSA-N 356.809 3.748 0 40 FHAB CCc1ccc(C(=O)NC(=S)/N=c2/[nH]c3ccc(F)cc3s2)cc1 1262892 ULVGIHQNWKTTEN-UHFFFAOYSA-N 359.451 3.547 0 40 FHAB CC(C)CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccn1 2380035 BDRVQEMFJKLJAO-KBMIEXCESA-N 362.410 3.805 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(F)c3)n2C)cc1 2447729 MHPZNTSUPKMSJK-UHFFFAOYSA-N 370.453 3.969 0 40 FHAB COc1ccc2oc(C(=O)OCC(=O)NCCC3=CCCCC3)c(C)c2c1 2631159 SYNBTBLNNCMGKC-UHFFFAOYSA-N 371.433 3.913 0 40 FHAB Cc1cc(C(F)(F)F)nn1CC(=O)N1c2ccc(F)cc2CC[C@H]1C 2762022 QJESCNHSYLPSOX-SNVBAGLBSA-N 355.335 3.717 0 40 FHAB C[C@H](Sc1nncn1C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3221446 SHOJPICCUPBPSD-LURJTMIESA-N 365.673 3.895 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=S)NC(=O)c1ccccc1Br 3258930 NKLNOFMQXXTAHD-MFKMUULPSA-N 355.301 3.632 0 40 FHAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)/C=C/c1cccs1 3407550 OYKHHQAWSUMKQN-MDZDMXLPSA-N 362.882 3.580 0 40 FHAB Cc1cc(C(=O)COC(=O)c2ccc(Cl)nc2)c(C)n1Cc1ccco1 3426613 NMJZFTUHQPEWAH-UHFFFAOYSA-N 372.808 3.834 0 40 FHAB COc1ccc(C(=O)N2CCN=C2SCc2ccc(C)cc2)cc1OC 4120365 DBENSVMBKZYIBJ-UHFFFAOYSA-N 370.474 3.757 0 40 FHAB O=C(c1c(F)cccc1F)N1CCN=C1SCc1ccccc1F 4120535 QIILDGJKAXLPEJ-UHFFFAOYSA-N 350.365 3.849 0 40 FHAB O=C(NCCSc1ncc(-c2ccccc2)[nH]1)c1c(F)cccc1F 4315564 SQXNZYQXRAYKRA-UHFFFAOYSA-N 359.401 3.877 0 40 FHAB O=C(c1csc(Nc2ccc(Cl)c(Cl)c2)n1)N1CCOCC1 4689824 AXWKSJIKSVMTLM-UHFFFAOYSA-N 358.250 3.666 0 40 FHAB O=S(=O)(c1ccccc1)N1CCn2cccc2[C@H]1c1ccc(F)c(F)c1 4853962 YCWVVRDANRPBJR-LJQANCHMSA-N 374.412 3.560 0 40 FHAB CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@@H]1c1cc(OC)ccc1OC 4910074 VBKHRQYFUPKFHT-IBGZPJMESA-N 367.405 3.642 0 40 FHAB CC(=O)c1c(O)c2c(=O)n(-c3ccccc3)c(-c3ccccc3)cc2oc1=O 5408083 JLHZWVQAKGZCHW-UHFFFAOYSA-N 373.364 3.519 0 40 FHAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(Cc2cccc(Cl)c2)C1=O 5797594 VTTRANVKHVOYOU-LJQANCHMSA-N 358.825 3.706 0 40 FHAB CC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)c(C)c2)cc1 6315627 KRJNFUDGSYMJEL-UHFFFAOYSA-N 368.252 3.761 0 40 FHAB Cc1c(C)c2cc(Cl)c(OCC(=O)Nc3nccs3)cc2oc1=O 6668918 UGYBYGDONNOZSS-UHFFFAOYSA-N 364.810 3.537 0 40 FHAB CCCC(=O)Nc1cccc(NC(=S)NC(=O)/C=C/c2ccccc2)c1 6709644 NQKDNUSDQBABKR-OUKQBFOZSA-N 367.474 3.952 0 40 FHAB O=C(COC(=O)CSc1ccc(Cl)cc1)Nc1ccc(F)cc1F 6887201 ZURRPFKDAZQUJE-UHFFFAOYSA-N 371.792 3.892 0 40 FHAB Cc1ccc(-n2ncc3c(=O)n(Cc4ccc(F)cc4Cl)cnc32)cc1 6936487 VWYARBRHULNYPP-UHFFFAOYSA-N 368.799 3.731 0 40 FHAB Cc1cc(C(=O)COC(=O)Cc2coc3cc4c(cc23)CCC4)c(C)n1C 6942760 YZWFQAKSGZDMLK-UHFFFAOYSA-N 365.429 3.845 0 40 FHAB CCOC(=O)C1=C(C)N(C2CCCC2)C(=O)N[C@H]1c1c(F)cccc1F 7061877 BUQYOXPDDMUTAE-QGZVFWFLSA-N 364.392 3.811 0 40 FHAB C[C@H](Sc1ccccc1)C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1 7187236 HPIUBJQUJKPBPP-KBXCAEBGSA-N 355.459 3.730 0 40 FHAB O=C(OCCOc1ccccc1F)c1cc(=O)c2cc(Cl)ccc2o1 7761477 FSQIDGZUXMZWQX-UHFFFAOYSA-N 362.740 3.821 0 40 FHAB CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)c1ccoc1C 7778472 HLSIKGFJBHEGLC-UHFFFAOYSA-N 367.405 3.701 0 40 FHAB O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)NCc1ccccc1 7909693 VHSHEJMRTCEXLO-QGZVFWFLSA-N 351.475 3.750 0 40 FHAB CCOC(=O)c1c(NC(=O)c2sc(C)nc2C)sc(C(C)=O)c1C 7995425 DOKYTJIAQPOLQE-UHFFFAOYSA-N 366.464 3.761 0 40 FHAB CCOc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1OCC 8049850 LBDLQFGQPZOUBG-UHFFFAOYSA-N 353.484 3.653 0 40 FHAB COc1ccc(Br)c(C(=O)OCc2nc3ccccc3o2)c1 8274772 ZVSVSTVCNNOBOF-UHFFFAOYSA-N 362.179 3.956 0 40 FHAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCCc1cccc(Cl)c1 8388987 MSMXFAWRVMJNSW-SFHVURJKSA-N 373.884 3.845 0 40 FHAB COc1ccc2nc(SCc3nc(-c4ccccc4OC)no3)[nH]c2c1 8710128 YULXQNBZNTXHEX-UHFFFAOYSA-N 368.418 3.922 0 40 FHAB O=C(/C=C/c1nc2ccccc2s1)N1CCN(c2ccc(F)cc2)CC1 8710596 SILQTDYYXJOGEO-MDZDMXLPSA-N 367.449 3.797 0 40 FHAB O=C(NCCCCOc1ccc(Cl)cc1)c1cnc2ccccc2n1 8939820 MLKPFRYHSZOUSZ-UHFFFAOYSA-N 355.825 3.872 0 40 FHAB O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)c1ccc[nH]1 9314770 BLRFUAQVUKWGSB-UHFFFAOYSA-N 353.447 3.815 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)c1cc2cnn(C(C)C)c2nc1C 10446769 YPSMOBDMEKSUCW-ZDUSSCGKSA-N 352.438 3.820 0 40 FHAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)Nc1ccc(F)c(F)c1 10492092 KOUVEOKQRLJODK-UHFFFAOYSA-N 352.391 3.586 0 40 FHAB Cc1cc(NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)no1 10892088 DSFXIWYEOCXBST-UHFFFAOYSA-N 369.381 3.684 0 40 FHAB Cc1ccc(-c2cc(CNC(=O)c3cc(=O)c4ccccc4o3)no2)cc1 11025846 MKZOYEOOVAPRSZ-UHFFFAOYSA-N 360.369 3.686 0 40 FHAB C[C@@H]1CCc2sc(C(=O)NC3CCN(C(=O)c4ccco4)CC3)cc2C1 11555611 ZJJACPDMTDSSAE-CYBMUJFWSA-N 372.490 3.501 0 40 FHAB Cc1nc2ccc(C(=O)NC[C@@H](c3ccccc3F)N(C)C)cc2s1 12198516 MTISZTOYLNKJFV-KRWDZBQOSA-N 357.454 3.777 0 40 FHAB O=S1(=O)N=C(SCc2cccc(F)c2)Nc2ccc(Cl)cc21 12361104 XBWNWRAKENEQNQ-UHFFFAOYSA-N 356.831 3.883 0 40 FHAB COc1ccc(/C=C/C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)cc1 12574853 BDEKRAAFNLQIJJ-FTZCXEDUSA-N 362.473 3.851 0 40 FHAB O=C(CCC(=O)c1ccc(Cl)s1)NCCc1nc2ccccc2[nH]1 12627345 NGDHBIXTCBKUSH-UHFFFAOYSA-N 361.854 3.600 0 40 FHAB COc1ccc(-c2cc(COC(=O)c3cc(OC)cc(OC)c3)no2)cc1 12726349 VMALGFHCSBRMOO-UHFFFAOYSA-N 369.373 3.724 0 40 FHAB CN(C)C(=O)Cc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 13715467 QURPVZSKEPDLAZ-UHFFFAOYSA-N 368.477 3.632 0 40 FHAB c1coc(-c2nc3c4c5c(sc4nc(N4CCCC4)n3n2)CCC5)c1 13720545 KWSDVAITQGWRTM-UHFFFAOYSA-N 351.435 3.688 0 40 FHAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1nnc(-c2ccco2)s1 14138465 FQLKBIPBLBPDMA-UHFFFAOYSA-N 353.325 3.998 0 40 FHAB O[C@H](COCc1ccccc1)Cn1c(-c2cscn2)nc2ccccc21 14287375 HLUPWYWDRSUERV-INIZCTEOSA-N 365.458 3.738 0 40 FHAB Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C(C)C)cc2)c(C)c1 15354270 LKNYYBBBGIZDDO-UHFFFAOYSA-N 374.506 3.734 0 40 FHAB Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2Cl)on1 19120030 BYRLDPNAQGOKPE-MRXNPFEDSA-N 370.840 3.689 0 40 FHAB Fc1ccccc1OCCc1cc([C@H]2CCCN2Cc2ccncc2)n[nH]1 19703672 KGQXQNLWKVHTRG-HXUWFJFHSA-N 366.440 3.902 0 40 FHAB CC(=O)N[C@H]1CCO[C@@H](c2cccc(NC(=O)Cc3ccc(C)cc3)c2)C1 19712245 RZWAGHLXIUZHHF-LEWJYISDSA-N 366.461 3.532 0 40 FHAB COc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1-c1ccc(CO)o1 20136973 OBHYJKLYEYHWQX-UHFFFAOYSA-N 364.612 3.756 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCCCOC(C)C 21779558 OQYBVCGWAVDYQD-UHFFFAOYSA-N 353.825 3.518 0 40 FHAB O=c1ccc2ccc(OS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2o1 23742571 LMGUXAIEQFPIHI-UHFFFAOYSA-N 370.304 3.580 0 40 FHAB O=C(CCc1ncc(-c2ccccc2)o1)N1CCO[C@H](c2ccccc2)C1 23898334 DHIVMUHQZOWZBG-FQEVSTJZSA-N 362.429 3.874 0 40 FHAB Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)Cn1cnc2sccc2c1=O 25055450 VYBUSFCVNNSLGU-HNNXBMFYSA-N 372.490 3.504 0 40 FHAB CC(C)[C@@H](NC(=O)CCCNC(=O)c1ccsc1)c1cccs1 25876947 UETXNWPURPUCSC-MRXNPFEDSA-N 350.509 3.833 0 40 FHAB CCOc1ccc2nc(SCCn3c(=O)oc4ccccc43)[nH]c2c1 26015244 ZAGLBVHSRXHNIL-UHFFFAOYSA-N 355.419 3.662 0 40 FHAB CCn1cc(Br)c(C(=O)N[C@H](C)c2ccc(C)cc2C)n1 28237125 UXOOTWVXANLZMA-GFCCVEGCSA-N 350.260 3.773 0 40 FHAB Cc1cccc(OCC(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1C 28288628 VNCVKLICCSSQCE-KRWDZBQOSA-N 363.461 3.965 0 40 FHAB Cc1cc2ncc(C(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)c(C)n2n1 30765740 JHRXVSKHTJLVRT-LFPRZYRFSA-N 352.482 3.681 0 40 FHAB CC(C)(C)c1ccc(OCCCSc2nc(O)c3c[nH]nc3n2)cc1 31610979 ANGMMQPRONSWDK-UHFFFAOYSA-N 358.467 3.917 0 40 FHAB Cc1ccc(C2=NN(C(=O)c3ccc(F)cc3)[C@@](O)(C(F)(F)F)C2)cc1 32101077 KTSOIBLURNHTMU-KRWDZBQOSA-N 366.314 3.635 0 40 FHAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)[C@H]1C[C@@](C)(O)[C@H]2OC(C)=O 33789432 AQYZEWWPIBKYCF-HZQJRTDASA-N 358.478 3.844 0 40 FHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2ccccc2F)CC1 35313150 VYUPTHXMTAPJGN-UHFFFAOYSA-N 355.409 3.692 0 40 FHAB O=C(NCCCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(F)cc1 35672877 DPWCFKZLIULKQE-UHFFFAOYSA-N 359.788 3.892 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(c3cccc(C)c3)CC2)c1C 37187837 NYUKKWDIHDMFGW-KRWDZBQOSA-N 367.493 3.536 0 40 FHAB Cc1ccccc1CN1CCC(C(=O)Nc2ccc3c(c2)OCCO3)CC1 39748768 DLEMPIKMESAEJR-UHFFFAOYSA-N 366.461 3.617 0 40 FHAB C[C@H](OC(=O)c1ccc(NC2CC2)nc1)C(=O)C12CC3CC(CC(C3)C1)C2 40158624 DIQRQIKVMBMWOG-QRYOHXEKSA-N 368.477 3.987 0 40 FHAB O=C(NCCc1nc2ccccc2s1)c1cc(-c2ccc(F)cc2)[nH]n1 46455675 FPWJZYJKEIRLLE-UHFFFAOYSA-N 366.421 3.798 0 40 FHAB CC[C@@H](Sc1nncn1[C@@H](C)c1ccccc1)C(=O)Nc1cc(C)on1 48355499 KMSWDFBJRSNABH-DZGCQCFKSA-N 371.466 3.693 0 40 FHAB Cc1nnc([C@@H](C)S(=O)(=O)Cc2c(C)cc(C(C)(C)C)cc2C)o1 50038000 PHEZGLVGTCLGAK-CYBMUJFWSA-N 350.484 3.968 0 40 FHAB CCNc1nnc(SC[C@H](O)CO[C@H]2CCCc3ccccc32)s1 54169080 BNXNQBBGROCBEJ-HIFRSBDPSA-N 365.524 3.517 0 40 FHAB CC(=O)N(c1nnc(SCCOc2c(C)cccc2C)s1)C1CC1 55506782 ONDRXYCAMLFJTA-UHFFFAOYSA-N 363.508 3.841 0 40 FHAB COCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1 57209701 KORUKOYRAMVPLF-UHFFFAOYSA-N 373.424 3.538 0 40 FHAB CCN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)CC1 58148843 SFKOQROVGRVWFI-UHFFFAOYSA-N 374.488 3.625 0 40 FHAB CN(C)[C@@H](CNC(=O)CCc1c[nH]c2ccccc12)c1ccc(F)cc1 58392058 XKCHHXMFCOSZDL-FQEVSTJZSA-N 353.441 3.659 0 40 FHAB O=C(CC(c1ccccc1)c1ccccc1)NC[C@@H](O)Cc1ccccc1 70639276 GGRDONZSWFPQNS-QFIPXVFZSA-N 359.469 3.928 0 40 FHAB CC1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(Cl)cc1Cl 71979825 HPLNXIHUIHZWFB-DPBGWIHLSA-N 372.248 3.825 0 40 FHAB CCOc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72211818 WDGZHZIXDFEBCP-GOSISDBHSA-N 360.479 3.705 0 40 FHAB Cc1ccccc1C(=O)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F 72310413 BZERCUOPXDTSKA-CQSZACIVSA-N 367.367 3.526 0 40 FHAB Cc1nc(Nc2nnc(C)s2)cc([C@H]2CCCN2C(=O)C2CCCC2)n1 72360320 VINJXQFHQCBHHD-OAHLLOKOSA-N 372.498 3.542 0 40 FHAB CCc1nccn1-c1cncc([C@@H]2CCCN2CCCc2ccccc2)n1 72378678 DIBQYDIKLAHLMN-FQEVSTJZSA-N 361.493 3.994 0 40 FHAB O=C(NC[C@](O)(c1ccco1)C1CC1)Nc1ccccc1C(F)(F)F 75155005 LHHQWAUJJXSKTM-MRXNPFEDSA-N 354.328 3.718 0 40 FHAB COCCN(Cc1ccc(F)cc1Cl)c1nccc(C(F)(F)F)n1 79111645 UVWZCCXGCKLAMR-UHFFFAOYSA-N 363.742 3.941 0 40 FHAB COc1ccccc1[C@@H](C)CC(=O)NCC1([C@@H](O)c2ccccc2)CC1 84636757 SPUCERKFUMNXPH-KKSFZXQISA-N 353.462 3.819 0 40 FHAB CCOC(=O)c1cnc2cc(C(=O)OC(C)C)ccc2c1Br 85386641 XNIKUKSTQUFKGH-UHFFFAOYSA-N 366.211 3.739 0 40 FHAB Cc1cc(=O)n(C)cc1NC(=O)N1CC=C(c2ccccc2Cl)CC1 92072375 MKWIMKBRXOYGLB-UHFFFAOYSA-N 357.841 3.668 0 40 FHAB Cc1ccccc1O[C@@H](C)C(=O)NCc1nc(-c2ccccc2Cl)no1 95482314 HIMXWHNJOIOMLZ-ZDUSSCGKSA-N 371.824 3.782 0 40 FHAB O=C(OCc1nccn1Cc1ccccc1)c1cnoc1-c1ccccc1 95943905 PCGDGVVKVWQJBW-UHFFFAOYSA-N 359.385 3.943 0 40 FHAB Cc1oc2ncnc(NS(=O)(=O)/C=C/c3ccccc3Cl)c2c1C 95944101 ZXSMTCUGSZFVJJ-BQYQJAHWSA-N 363.826 3.906 0 40 FHAB COc1ccc(CN2CCC3(CC2)[C@H](c2ccccc2)CC(=O)N3C)cc1 96061441 SRDFQXOZNDLEPY-NRFANRHFSA-N 364.489 3.676 0 40 FHAB CCCCOc1ccccc1[C@H](c1c(O)n[nH]c1C)c1c(C)n[nH]c1O 96193547 KBMYUMNNVGDPHK-UHFFFAOYSA-N 356.426 3.520 0 40 FHAB Cc1ccc(NC(=S)N2[C@@H]3CCC[C@@H]2CC(NC(=O)C2CC2)C3)cc1C 100427108 DAPKNQRBEHJKJC-RTBURBONSA-N 371.550 3.912 0 40 FHAB O=C(c1ccc2c(c1)OCCCO2)n1cccc/c1=N/C1CCCCC1 102762516 YETUXSZCPXANMK-XDOYNYLZSA-N 352.434 3.571 0 40 FHAB C[C@H](c1ccc(F)cc1)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 103985543 DGIKYGAJVRAVDP-HUUCEWRRSA-N 369.440 3.582 0 40 FHAB O=C(Nc1cnc(C2CC2)nc1)c1csc(CCc2ccccc2)n1 107146111 LRXQPOXJLINIGP-UHFFFAOYSA-N 350.447 3.848 0 40 FHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 225007647 FDTVIDDGFNPVRX-HXUWFJFHSA-N 354.450 3.628 0 40 FHAB COc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccccc3C)s2)cc1 225127350 FLESWDPONGRPKN-CYBMUJFWSA-N 369.446 3.928 0 40 FHAB Cc1cccc(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)c1 225699087 ZPOCRKAZLCLVRI-LJQANCHMSA-N 366.505 3.522 0 40 FHAB COc1ccc(OC)c(NS(=O)(=O)c2ccc3c4c(cccc24)CC3)c1 226861112 DEZBHGVZTPNETD-UHFFFAOYSA-N 369.442 3.756 0 40 FHAB O[C@@H]1CCN(Cc2c([C@@H]3CCCO3)[nH]c3ncccc23)[C@H]2CCCC[C@H]21 248006912 UHNBMDICIJZVPS-LULLPPNCSA-N 355.482 3.540 0 40 FHAB O=C(c1cncs1)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257204779 AWGJWNZFZSAQPY-OAHLLOKOSA-N 357.410 3.838 0 40 FHAB Cc1csc(Nc2cc([C@H]3CCCCN3Cc3c[nH]cn3)nc(C)n2)n1 257323888 WMGMRRWCUBCOEC-MRXNPFEDSA-N 369.498 3.744 0 40 FHAB CCCC(=O)N1CCC(c2n[nH]cc2C(=O)N(CC)c2ccccc2)CC1 257332601 XXZDMFZESQSSOL-UHFFFAOYSA-N 368.481 3.583 0 40 FHAB CC(C)N1CC[C@@]2(c3ccccc3)CCN(Cc3ccncc3)C(=O)C[C@@H]12 306139889 UDMSCPZDEJHFCF-FYYLOGMGSA-N 363.505 3.625 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1C 408613215 ZUDREEPGIKWVGU-UHFFFAOYSA-N 352.843 3.716 0 40 FHAB CC[C@H](Oc1ccc(C)cc1)C(=O)N1CCN(c2ccccc2F)CC1 408682396 YCGRXBBABDXXAV-FQEVSTJZSA-N 356.441 3.640 0 40 FHAB Cn1c(O)nc2ccc(C(=O)N3CC4(CCCC4)c4c(F)cccc43)cc21 501758913 WEFMTRLYSIOQJE-UHFFFAOYSA-N 365.408 3.890 0 40 FHAB COc1ccc([C@H](NC(=O)Nc2cnc3c(c2)CCCC3)C2CC2)cn1 529054474 IVZUWYDAPQFANY-LJQANCHMSA-N 352.438 3.637 0 40 FHAB Cc1nc(-c2nccn2C)cc([C@H]2CCCCN2C(=O)CC(C)(C)C)n1 585182576 XGYSDRNVXMNKGW-QGZVFWFLSA-N 355.486 3.675 0 40 FHAB Cc1nc(C(=O)N2CCCc3c(Cl)ccc(Br)c32)co1 662184968 MQGTZVXEWKCLJP-UHFFFAOYSA-N 355.619 3.992 0 40 FHAB Cc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)n[nH]1 1179161185 QJFGTDFYLDHIIR-NSHGMRRFSA-N 352.482 3.641 0 40 FHAB C[C@H]1CC(C)(C)CC[C@H]1NC(=O)Nc1ccc(F)c(S(C)(=O)=O)c1 1218042443 UFXUVUBIAGZSJA-SMDDNHRTSA-N 356.463 3.566 0 40 FHAB Cc1cccc(NC(=O)CC2(N3Cc4ccccc4C3=O)CCOCC2)c1 1565524231 GRTMFEJFBHDAOU-UHFFFAOYSA-N 364.445 3.529 0 40 FHAB O=C(CSC1CCCC1)NC[C@H](O)c1ccc(-c2cccs2)o1 1888913700 ATMKVVQEBYWCEA-ZDUSSCGKSA-N 351.493 3.834 0 40 FHAB Cn1c(N2CC(n3c(C(C)(C)C)nc4ccccc43)C2)nc2cccnc21 1889223280 VVAIGPBDYLVAFH-UHFFFAOYSA-N 360.465 3.677 0 40 FHAB CC(=O)Nc1ccc2nc(C3CC3)n(Cc3ccc(Cl)cc3)c(=O)c2c1 1363187 FRFHHSOGFHNAQL-UHFFFAOYSA-N 367.836 3.934 0 40 FHAB COc1cccc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 1961954 RBKGIDQNYYMDPC-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB C[C@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)c2C(N)=O)C1 4166042 QNDSZZUXTDDXAT-NILFDRSVSA-N 354.475 3.714 0 40 FHAB Cc1oncc1C(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1 54270308 UBJIBBJVGZZSSE-AWEZNQCLSA-N 365.389 3.641 0 40 FHAB Cc1ccc(C)c(Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)c1 6678840 KBNWTZXLVLBRPA-UHFFFAOYSA-N 366.442 3.531 0 40 FHAB COc1ccccc1NC(=O)[C@H](Sc1nnc2n1CCCCC2)C(C)C 73814511 FEBRAQXXDSJTBX-QGZVFWFLSA-N 374.510 3.769 0 40 FHAB CCCCn1nnnc1NCc1ccc(OCc2cccs2)c(OC)c1 7262155 MXCSBPNAIMAVQN-UHFFFAOYSA-N 373.482 3.734 0 40 FHAB Cc1ccc2c(CC(=O)O[C@@H](C)C(=O)NCCc3ccccc3)coc2c1 7632052 GLRRMODVCJHONR-INIZCTEOSA-N 365.429 3.574 0 40 FHAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)N3CCC(=O)CC3)sc2n1 12555033 QXIDAYNMSFNCKP-UHFFFAOYSA-N 353.447 3.509 0 40 FHAB O=C(COc1ccc(Oc2ccccn2)cc1)NCCc1ccc(F)cc1 12521726 CCAZWUJGWXPUIN-UHFFFAOYSA-N 366.392 3.751 0 40 FHAB CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3ccccc3Cl)ccc21 12562322 GLQYBTGVQMMFCK-LBPRGKRZSA-N 357.841 3.688 0 40 FHAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(F)c1 24372798 AHLQPZFJUJNYHM-QGZVFWFLSA-N 358.413 3.900 0 40 FHAB FC(F)(F)c1cnc(NCc2cccnc2-n2cccn2)c(Cl)c1 24660563 CDBLDYRHMNAWKX-UHFFFAOYSA-N 353.735 3.947 0 40 FHAB COc1ccc(C(=O)N(C)C)cc1NC(=O)C12CC3CC(CC(C3)C1)C2 58223729 GQKINZCOZCTTAX-UHFFFAOYSA-N 356.466 3.552 0 40 FHAB CC(=O)c1ccc(N2CCN(Cc3coc(-c4ccccc4)n3)CC2)cc1 12543958 QEAWCVHTANLHAO-UHFFFAOYSA-N 361.445 3.866 0 40 FHAB CC(=O)N1CCc2cc(C(=O)Nc3ccccc3-n3nc(C)cc3C)ccc21 25014038 YQWOCFZACHVIAO-UHFFFAOYSA-N 374.444 3.650 0 40 FHAB Cc1cc(C(=O)CCC(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c(C)s1 106629524 JKMTWKBQYOIJFP-KGLIPLIRSA-N 350.528 3.564 0 40 FHAB Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)C[C@H]1CCCO1 55594116 YWZLFQOGSBFIPD-RVKKMQEKSA-N 358.482 3.621 0 40 FHAB COC(=O)[C@H](Sc1nc2sc(C)c(C)c2c(=O)n1C)c1ccccc1 8924812 GYJGURBKQUOYKK-CQSZACIVSA-N 374.487 3.618 0 40 FHAB Cc1ccc(-n2ccnc2SCC(=O)NCCCOC(C)C)c(C)c1 27438678 UCJUQVZXQKFJRX-UHFFFAOYSA-N 361.511 3.513 0 40 FHAB COc1ccccc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCCC1 27581647 CSJZWYQGYVNZRN-HXUWFJFHSA-N 352.478 3.961 0 40 FHAB C[C@H](c1ccccc1F)N(C(=O)NCc1ccc2c(c1)OCO2)C1CC1 58132693 HMRVWGIKRFJCLZ-CYBMUJFWSA-N 356.397 3.990 0 40 FHAB CCOc1cc(/C=C/c2nc(C(=O)O)cs2)cc(Br)c1O 58167556 RIZKXEBDXKZKLG-ONEGZZNKSA-N 370.224 3.879 0 40 FHAB Cc1cc(C(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)on1 58281684 GGNKVYNBLXNCGF-UHFFFAOYSA-N 352.438 3.858 0 40 FHAB CN(CCc1ccncc1)C(=O)CCc1ccc(Br)cc1F 58231694 CDHURDCHBXCFCB-UHFFFAOYSA-N 365.246 3.617 0 40 FHAB Cc1ccc([C@H](CNC(=O)COc2ccccc2C)N2CCCC2)cc1 27992520 XQSVQCBFARWYQJ-FQEVSTJZSA-N 352.478 3.636 0 40 FHAB Cc1nccc(C(=O)/N=c2/sccn2Cc2cccc3ccccc23)n1 58426379 VLNRWGSZVFKKEJ-BSYVCWPDSA-N 360.442 3.591 0 40 FHAB CC(C)(C)c1ccccc1NC(=O)CCn1nc(-c2cccs2)oc1=O 12770925 DCDFJDMYJPAYJG-UHFFFAOYSA-N 371.462 3.891 0 40 FHAB FC(F)(F)c1cnc(NNC(=S)NCc2ccccc2)c(Cl)c1 3310532 VGCRLRQCMXDEFD-UHFFFAOYSA-N 360.792 3.745 0 40 FHAB CC(=O)c1ccc(OCC(=O)Nc2ccc(Br)c(C)c2)cc1 3350886 WJQPCYGNHVWIOY-UHFFFAOYSA-N 362.223 3.978 0 40 FHAB NC(=O)Nc1cccc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c1 10883636 SJEDYITYQDAGDV-UHFFFAOYSA-N 362.433 3.678 0 40 FHAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(N(C)C)nc1 58757388 OOTULKOACZHNBL-UHFFFAOYSA-N 366.387 3.508 0 40 FHAB CCN1C(=O)[C@@H](C(=O)Nc2cccc(C)c2)[C@H]2C[C@@]1(C)Oc1ccccc12 101275539 ONJDWDQDFWVAMC-LRXVAGHRSA-N 364.445 3.694 0 40 FHAB Cc1ccc(C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(C)c1 3316836 GDKNWGXFHCTBIN-UHFFFAOYSA-N 368.458 3.837 0 40 FHAB COC(=O)c1ccc(CSc2nc(-c3ccccc3OC(C)C)n[nH]2)o1 26806799 CRDXVCJUHMPAGS-UHFFFAOYSA-N 373.434 3.931 0 40 FHAB CCOc1ccc(NC(=O)c2nnn(-c3ccc(Cl)cc3)c2C)cc1 2692790 NOUJRLFPFRNLDW-UHFFFAOYSA-N 356.813 3.880 0 40 FHAB O=C(COC(=O)c1ccccc1C(F)(F)F)Nc1c(F)cccc1F 3443293 GSSWQNJTQXAUSQ-UHFFFAOYSA-N 359.250 3.779 0 40 FHAB O=C(Cc1csc(-c2ccccc2)n1)N1CCN(c2ccccc2)CC1 3452393 ULGXLGOKFACBQV-UHFFFAOYSA-N 363.486 3.701 0 40 FHAB Cc1cccc(C(=O)Nc2ccnn2Cc2ccccc2Br)n1 12910066 DLMMMDSPAIMJLW-UHFFFAOYSA-N 371.238 3.650 0 40 FHAB CCc1ccc(OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 12934191 QLLIJRSFEOTHBW-UHFFFAOYSA-N 366.461 3.505 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 12974668 MRBRBQZXPWWLGH-KBPBESRZSA-N 370.840 3.565 0 40 FHAB Cc1cc(Cl)ccc1NCC(=O)N1c2ccccc2NC(=O)C1(C)C 9114265 LLFHNKHLMIGHLD-UHFFFAOYSA-N 357.841 3.824 0 40 FHAB O=C(NCc1cccs1)c1cn(-c2ccccc2)nc1-c1cccnc1 5172409 DYJHQRVUXCWVNO-UHFFFAOYSA-N 360.442 3.926 0 40 FHAB CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)n1nnc2ccccc2c1=O 5304935 DRNCYAWAZAYDNR-SFHVURJKSA-N 350.422 3.505 0 40 FHAB Cc1ccccc1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1 4592938 OMHCSTNRUFTNPW-VZJWBNGJSA-N 374.440 3.783 0 40 FHAB COc1ccc(NC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)cc1Cl 14240702 VMMUTLVSEHYUEP-IBGZPJMESA-N 374.868 3.671 0 40 FHAB COc1cc(OC)cc(C(=O)NCCSc2ccc(Cl)cc2)c1 4703261 CSGGGKFGXKEHPQ-UHFFFAOYSA-N 351.855 3.879 0 40 FHAB Cc1ccc(/C=C/C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1 15175155 LVIXDTKAPXBAGV-VAWYXSNFSA-N 362.473 3.563 0 40 FHAB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c(C)n1C(C)C 7287536 GMEGMLQNRZKMLJ-ZDUSSCGKSA-N 363.845 3.918 0 40 FHAB O=C(Nc1ccn(Cc2ccccn2)n1)[C@@H]1CCC[C@H](C(F)(F)F)C1 84610176 GSBPHTVINRSSQR-OLZOCXBDSA-N 352.360 3.634 0 40 FHAB CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cc2ccccc2)cc1 7344759 HFFWLKVMWAJEOJ-UHFFFAOYSA-N 365.454 3.933 0 40 FHAB CCOc1ccc(CN(C)[C@H](C)c2nc3ccccc3c(=O)[nH]2)cc1OC 7487524 OZNPSHPTTGHYIL-CQSZACIVSA-N 367.449 3.523 0 40 FHAB CCCN1C=NS(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C)ccc21 15867502 PTEFEQMAQSQWHL-UHFFFAOYSA-N 371.462 3.503 0 40 FHAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN(c2ncccn2)C1 9548107 BPBITJUTKUYYMH-NSHDSACASA-N 351.237 3.639 0 40 FHAB Cc1ccccc1-n1ccnc1SCC(=O)N[C@H](C)c1ccccn1 7989893 SGKGICYCRBCZBH-OAHLLOKOSA-N 352.463 3.545 0 40 FHAB Cc1ccc2nc(CN3CCC(c4nc5ccccc5o4)CC3)cc(=O)n2c1 7990447 MXJNIXLMMVSXIN-UHFFFAOYSA-N 374.444 3.524 0 40 FHAB CC[C@@H]1CN(C(=O)c2oc(C)cc2C)CC[C@H]1NC(=O)OC(C)(C)C 95441483 LKFOJGZFTVJQIX-HUUCEWRRSA-N 350.459 3.662 0 40 FHAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@@H]1CCN(CC(F)(F)F)C1 71845411 MXUDOAKPRBFVLS-TZMCWYRMSA-N 373.419 3.537 0 40 FHAB COc1cc(C(=O)N(Cc2ccco2)Cc2ccco2)cc(OC)c1OC 27516718 GGJFLOBTHFYZHL-UHFFFAOYSA-N 371.389 3.741 0 40 FHAB Cc1nc(C)n([C@H](C)CC(=O)N[C@@H]2[C@@H]3CCC[C@H]3[C@@H]2c2ccccc2)n1 409412869 WQWTYTKZVQFANT-PDGIXKCNSA-N 352.482 3.545 0 40 FHAB CC(C)[C@H]1CN(C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)CCO1 95994551 XXCZTMOVTPWFPE-QGZVFWFLSA-N 373.474 3.683 0 40 FHAB CCn1c([C@@H]2CCCN(C(=O)C(C)(C)c3ccccc3C)C2)n[nH]c1=S 89300569 QFDMLMABVUOQMJ-OAHLLOKOSA-N 372.538 3.953 0 40 FHAB Cc1ccc(C)c(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c1 20493652 QLUOBLRTFPKZCT-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB CCc1ccc(OCC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cc1 27793068 YYGIYHZGLPEFSD-JOCHJYFZSA-N 366.505 3.890 0 40 FHAB COc1ccccc1NC(=O)c1cc(=O)c2cc(Br)ccc2o1 27794597 ONOGVQNSEXHQMY-UHFFFAOYSA-N 374.190 3.816 0 40 FHAB Cc1nnc([C@H]2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)s1 23140598 ZBRNCDCMGISAOM-NSHDSACASA-N 355.385 3.885 0 40 FHAB CCCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 409410205 LHXGLDURNGSURS-UHFFFAOYSA-N 374.506 3.943 0 40 FHAB O=C(NCCCOc1cccc2cccnc12)c1cc(=O)c2ccccc2o1 38680911 GWZDADZHEZHOCI-UHFFFAOYSA-N 374.396 3.540 0 40 FHAB CCCCSCC(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 31959222 HRXZIZFVOHIHII-UHFFFAOYSA-N 355.525 3.875 0 40 FHAB COc1ccc(CN(C)C(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 39754271 DYKCNAPWCRAKGA-UHFFFAOYSA-N 370.468 3.705 0 40 FHAB O=C(O)[C@@H]1CS[C@H](c2ccc(F)cc2)N1C(=O)c1ccc(Cl)cc1 35110288 WOHVAZXZWUTCHL-GOEBONIOSA-N 365.813 3.820 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 44846787 UKSYOOUZCJMWCU-DOTOQJQBSA-N 357.450 3.663 0 40 FHAB Cc1ccc(Nc2nccc([C@H]3CCCN(Cc4cccnc4)C3)n2)nc1 72377639 WKJSWGXEDHLMGG-SFHVURJKSA-N 360.465 3.698 0 40 FHAB Cc1cc(C)c(I)c(C)c1I 49992058 JKQUQYCRAGMXKN-UHFFFAOYSA-N 371.987 3.821 0 40 FHAB biogenic O=C(COc1ccc(F)cc1)Nc1ccccc1C(=O)NC1CCCCC1 222781092 HJWIWHAANKUSHQ-UHFFFAOYSA-N 370.424 3.906 0 40 FHAB CCCOC1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCC(C)CC1 225668403 IVWTXAMCGTTXGH-UHFFFAOYSA-N 362.514 3.941 0 40 FHAB COC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1OC 225675128 VOTVCNKAWUXPIZ-UHFFFAOYSA-N 353.418 3.932 0 40 FHAB O=S(=O)(Nc1cc(F)ccc1F)c1ccc(Br)cc1F 96170983 XSRUZXCUJJHTAE-UHFFFAOYSA-N 366.158 3.667 0 40 FHAB Cc1cccc(CN2CC[C@]3(CCN(Cc4ccc(C)s4)C3)C2=O)c1 96050571 WJSNWCPRSCEGPR-NRFANRHFSA-N 354.519 3.990 0 40 FHAB CCS(=O)(=O)C(Cl)(Cl)[C@@H](O)c1ccc(-c2ccccc2)cc1 96519655 TUTJAMHMUHBWFB-HNNXBMFYSA-N 359.274 3.953 0 40 FHAB CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1ccc(CN2CCCCC2)cc1 91468928 SQGOIOPFKKNJCU-FQEVSTJZSA-N 368.525 3.714 0 40 FHAB Cc1ccccc1CN1CCC2(CC1)C[C@@H](OCc1cccnc1)CO2 96106773 KXAXAPVMMGRVHO-OAQYLSRUSA-N 352.478 3.730 0 40 FHAB O=C(c1cnco1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257337473 YSXQMUMOFMDIQV-CQSZACIVSA-N 371.824 3.927 0 40 FHAB CC(C)N1CCC(Cc2cc(N3CC4(CCCCC4)OC3=O)ncn2)CC1 257286101 PKGSTEPKQZBRFE-UHFFFAOYSA-N 372.513 3.799 0 40 FHAB COC(=O)C1(C(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)CC2(CCC2)C1 597627355 NIHILKRXKPSBSI-CYBMUJFWSA-N 373.415 3.691 0 40 FHAB Cc1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)OCCO)cc1 96337697 QSRMAZYYVFUZOG-FQEVSTJZSA-N 355.478 3.773 0 40 FHAB CN(C[C@H]1CCc2nccn2C1)C(=O)Cc1coc2cc(Cl)ccc12 626551640 PFGXYZCCIDPBRE-CYBMUJFWSA-N 357.841 3.546 0 40 FHAB COc1ccc2cc(C(=O)NCC3(OC)C4CC5CC(C4)CC3C5)[nH]c2c1 96123872 IORRKCXRXMUQEK-UHFFFAOYSA-N 368.477 3.748 0 40 FHAB COC(=O)N1CCc2ccc(NC(=O)c3ccc4ncsc4c3)cc2C1 96103683 JPUHTCIMUFZYEY-UHFFFAOYSA-N 367.430 3.673 0 40 FHAB CC(=O)N1CCC[C@H](NCCc2ccccc2F)[C@@H]1Cc1ccc(C)cc1 585283949 DLBWQDJBWAXVMH-GOTSBHOMSA-N 368.496 3.888 0 40 FHAB Cc1nc(/C=C2\N=C(c3ccc(OC(C)C)cc3)OC2=O)c2ccccn12 96310822 IIAYJEVVIHEKTQ-PDGQHHTCSA-N 361.401 3.774 0 40 FHAB CCOC(=O)C(C(=O)OCC)C(C)(C)Cc1ccc(Br)cc1 113855924 IVMZWLVVPLPZNE-UHFFFAOYSA-N 371.271 3.760 0 40 FHAB C[C@@H](OC(=O)CCSc1ccccc1)C(=O)Nc1ccc(Cl)cn1 5991191 SAIKSZFUTWGING-GFCCVEGCSA-N 364.854 3.788 0 40 FHAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c2ccccc12 12291102 WCXULEHTKZPGCJ-UHFFFAOYSA-N 355.415 3.736 0 40 FHAB COc1ccc([C@@H](CNC(=O)Nc2ccc(F)cc2)N2CCCC2)cc1 12984506 ZRSSSISBNANAIM-LJQANCHMSA-N 357.429 3.793 0 40 FHAB Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1Cc1ccco1 13135478 KXOGLZIAUWWFSH-UHFFFAOYSA-N 367.430 3.935 0 40 FHAB O=C(c1cc([C@H]2CCCN(Cc3ccc(Cl)cc3)C2)no1)N1CCCC1 19334024 GULACEZZPBRNHM-INIZCTEOSA-N 373.884 3.944 0 40 FHAB O=C(N[C@H]1CCCc2nc(-c3cccnc3)ncc21)c1ccccc1Cl 19347751 QCLDYVGFUNRGQV-SFHVURJKSA-N 364.836 3.999 0 40 FHAB COc1ccc(CC(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)cc1F 19559544 AXUDGILOQTVNEW-UHFFFAOYSA-N 367.424 3.659 0 40 FHAB COc1cccc([C@H](NC(=O)Cc2c(C)noc2C)c2ccccc2)c1 19580468 HETNVYBDZYBFKC-OAQYLSRUSA-N 350.418 3.748 0 40 FHAB CN1CCCCC[C@@H]2N(C(=O)c3cc[nH]n3)[C@H](c3ccccc3)C[C@@]21C 19713500 JNJABDTXAHWOEF-ZJOUEHCJSA-N 352.482 3.630 0 40 FHAB COc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Br)c1OC 168246963 ZSXTVCLTKQXEPJ-GHXNOFRVSA-N 360.207 3.959 0 40 FHAB CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccco3)cc21 8959777 ZQXTYCZVPHBJQB-UHFFFAOYSA-N 356.422 3.940 0 40 FHAB COc1ccc2[nH]cc(C(=O)NC[C@@H](c3ccc(C)cc3)N(C)C)c2c1 19136482 PZCYFUXOWKOKFO-FQEVSTJZSA-N 351.450 3.518 0 40 FHAB Cc1nc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2n1 4240045 LUEBLUVXBQICPJ-NSHDSACASA-N 367.430 3.786 0 40 FHAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCC(C(N)=O)CC3)c2c1 6628075 FYLFCHQBYZOYMV-UHFFFAOYSA-N 373.456 3.548 0 40 FHAB COc1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc(OC)c1OC 6640275 JODYDPJOGMDLJF-UHFFFAOYSA-N 371.311 3.863 0 40 FHAB Cc1cc(NC(=O)COc2ccc(F)c(Cl)c2)n(-c2ccccc2)n1 22527818 ROJDEQWGNJKFRA-UHFFFAOYSA-N 359.788 3.991 0 40 FHAB c1ccc(Oc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)cc1 24113631 DRISVBZIGCAKQF-UHFFFAOYSA-N 367.474 3.805 0 40 FHAB CCOc1ccc(-c2cn3c(CC(=O)N[C@H](C)CC)csc3n2)cc1 5146908 AMHKJLZSDZVTEE-CYBMUJFWSA-N 357.479 3.919 0 40 FHAB CCOc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCCCC2)cc1 22626021 GXLBHNANEFQCBX-MRXNPFEDSA-N 372.494 3.779 0 40 FHAB O=C(NCc1cc(-c2cc3ccccc3o2)on1)c1ccc2c(c1)OCO2 22768684 XZVZOJVNJIMTEJ-UHFFFAOYSA-N 362.341 3.747 0 40 FHAB Cc1cc(C)cc(N2C(=O)[C@H]3N=NN(c4ccc(C)c(Cl)c4)[C@H]3C2=O)c1 101260762 YNEGTWITNLBRJH-DLBZAZTESA-N 368.824 3.763 0 40 FHAB COc1ccc(CN2CCC[C@H]3NC[C@H](c4ccc(F)cc4)[C@H]32)c(F)c1 19551779 WAEZZQDBUPEBDF-HMXCVIKNSA-N 358.432 3.693 0 40 FHAB COC(=O)c1ccc2c(c1)CCN2C(=O)c1cc(-c2ccc(C)cc2)no1 40090270 BIBIPPJCUNNANE-UHFFFAOYSA-N 362.385 3.640 0 40 FHAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(N3CCOC3=O)c2)cc1 31720069 JGTBFOAOJHFVDY-UHFFFAOYSA-N 374.462 3.742 0 40 FHAB CCN1C[C@@H](CN(C)Cc2nc3ccccc3nc2C)Oc2ccccc21 32797328 DFHRFSRQAWDJDZ-QGZVFWFLSA-N 362.477 3.658 0 40 FHAB Cc1cccc(NC(=O)c2cn(-c3cccc(Br)c3)nn2)c1 32815634 MYSJWPROCPVQJO-UHFFFAOYSA-N 357.211 3.591 0 40 FHAB CCC(C)(C)NC(=O)CNc1cc(Cl)cc(Br)c1OC 32825132 MZNMLPYJMWUAQD-UHFFFAOYSA-N 363.683 3.828 0 40 FHAB CCN(CC)Cc1ccc(C(=O)OCC(=O)c2cc(F)ccc2OC)cc1 32922172 DHLSJQMMWBYLRH-UHFFFAOYSA-N 373.424 3.716 0 40 FHAB C[C@H](c1cccs1)N(C)C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 33235425 HUYNIKMVVIHNNY-SNVBAGLBSA-N 357.884 3.638 0 40 FHAB c1ccc2oc(CN3CCN(Cc4nc5ccccc5s4)CC3)nc2c1 22056612 JZAJTEXLWDDYDV-UHFFFAOYSA-N 364.474 3.755 0 40 FHAB COc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)Nc1cccc(C)c1C 1016446 WAJFHTRGGWGDTM-IBGZPJMESA-N 365.433 3.579 0 40 FHAB O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Br)cc1 1043163 YMQZWYSWKRQQJX-UHFFFAOYSA-N 355.138 3.689 0 40 FHAB COc1cc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cc(OC)c1OC 1084835 GLABZSOKWCGSJD-RIYZIHGNSA-N 373.792 3.710 0 40 FHAB CC1(C)Cc2c(cnn2-c2ccccc2)C(=O)N(Cc2ccccc2)C1=O 1093198 NWNIWFPTIREHKC-UHFFFAOYSA-N 359.429 3.624 0 40 FHAB O=C(NCc1ccccc1Cl)[C@@H]1CCCN1C(=O)Nc1ccccc1 1329959 XFXAMIBLPVSEJE-KRWDZBQOSA-N 357.841 3.653 0 40 FHAB O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(C(F)(F)F)c2)N1 2109515 BCAAQHIVHZXLCQ-JKSUJKDBSA-N 360.335 3.875 0 40 FHAB biogenic COC[C@H](C)n1c(SCCOc2ccccc2)nc2ccccc2c1=O 2625116 ZBJSWWSTGRNWKB-HNNXBMFYSA-N 370.474 3.775 0 40 FHAB COC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 3192118 YMUVFXJIFJMARY-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1cc(F)ccc1F 3241191 VJLVJBJCYACRNZ-UHFFFAOYSA-N 372.371 3.951 0 40 FHAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(Br)cc2F)cc1 3388312 SUHWGCQHNGTUOQ-UHFFFAOYSA-N 366.186 3.692 0 40 FHAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CCC2)C(=O)Nc1ccccc1 3482236 OZEPDKNCOGPHRO-AWEZNQCLSA-N 360.413 3.908 0 40 FHAB CC(C)N(C(=O)CSc1nnc(-c2ccncc2)o1)c1ccccc1 4279703 RQXALIVYNSUYOE-UHFFFAOYSA-N 354.435 3.665 0 40 FHAB Cc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)c(C)c1 4307673 UZUIQZIXPSLVFN-FQEVSTJZSA-N 370.836 3.607 0 40 FHAB CCOC(=O)[C@@H](C)Sc1ncnc2c1cnn2-c1cccc(Cl)c1 4341712 DEBPGSAKCHPTIB-SNVBAGLBSA-N 362.842 3.513 0 40 FHAB CCSc1nnc(NC(=O)CCC(=O)O[C@@H]2CC[C@H](C)[C@H](C)C2)s1 4349883 VMNYEIIOJLFNOI-QJPTWQEYSA-N 371.528 3.737 0 40 FHAB CCS(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1 4585877 QZQPPPAWAKFOSJ-UHFFFAOYSA-N 360.460 3.651 0 40 FHAB CC(C)n1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccco1 4736133 MMNBNONQWJTVTP-UHFFFAOYSA-N 360.414 3.989 0 40 FHAB CCC[C@@H](C)c1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)s1 4998700 RYFWLPPKYWUVHB-ZIAGYGMSSA-N 372.494 3.742 0 40 FHAB Cc1ccccc1CSc1nnc(CNC(=O)c2ccc(F)cc2)o1 5107476 MLFKGTUOLRAJKP-UHFFFAOYSA-N 357.410 3.739 0 40 FHAB COc1cc(C)c(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1OC 5616523 FIRHOYWJRRDGCO-LLVKDONJSA-N 372.446 3.697 0 40 FHAB CSc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1 5786055 GNDJNODCYFGXGK-KRWDZBQOSA-N 353.447 3.675 0 40 FHAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)CC(C)C)c1 6263876 IGFMOJDQXZWUEP-UHFFFAOYSA-N 355.891 3.938 0 40 FHAB Cc1ccc(CSc2nnc(CNC(=O)c3cccc(C)c3)n2C)cc1 6300172 IEZRXPXHUYTDQJ-UHFFFAOYSA-N 366.490 3.654 0 40 FHAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2Cl)C1=O 7071236 BXQANRHGMCSTAH-SEEODLKFSA-N 353.827 3.718 0 40 FHAB CN1CCN(c2ccccc2NC(=O)Cc2cccc3ccccc23)CC1 7105695 FKQYVQCLWPTZSQ-UHFFFAOYSA-N 359.473 3.773 0 40 FHAB C[C@@H](Sc1ccccc1)C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1 7187241 HPIUBJQUJKPBPP-RDTXWAMCSA-N 355.459 3.730 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c1 8059837 PPJLEOQTBKVQHF-INIZCTEOSA-N 365.520 3.735 0 40 FHAB COc1ccc(NC(=O)CCc2nc(-c3ccccc3)no2)cc1Cl 8061166 LKEPNPIHDBDAHA-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB NC(=O)COc1ccc(C(=O)Nc2ccc3oc4ccccc4c3c2)cc1 8986684 ZSLJAPDHGSTMRA-UHFFFAOYSA-N 360.369 3.702 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1cc2ccccc2c(=O)[nH]1 9313776 ACCLEOQDCNAWRP-ZDUSSCGKSA-N 374.396 3.746 0 40 FHAB COc1ccccc1[C@@H](NC(=O)Nc1cccc(Cl)c1)c1nccn1C 9338084 IOTKZNDSHJOGDF-QGZVFWFLSA-N 370.840 3.993 0 40 FHAB CN(Cc1ccccc1Br)C(=O)c1cnc2ccccc2n1 9614142 SGZQLRZCJZOSOF-UHFFFAOYSA-N 356.223 3.665 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)Cc2c(F)c(F)c(F)c(F)c2F)c1 10030314 UYLFBJWMVXZJNY-UHFFFAOYSA-N 373.277 3.658 0 40 FHAB C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCc2sccc2C1 10107070 QOHPRISRXNMEQI-LLVKDONJSA-N 352.406 3.735 0 40 FHAB Cc1cc(C)c2nc(NC(=O)CSc3nnc(C4CC4)o3)sc2c1 10214665 NULQLWDJJFBBNQ-UHFFFAOYSA-N 360.464 3.904 0 40 FHAB O=S(=O)(c1ccccc1Cl)N1CCC[C@H]1c1nc2ccccc2[nH]1 10629294 KDKADJDUHSLMQT-HNNXBMFYSA-N 361.854 3.742 0 40 FHAB O=C(NCc1cc(-c2ccc(F)cc2)on1)c1cc(=O)c2ccccc2o1 11613477 BLNPCHWAWPDNEN-UHFFFAOYSA-N 364.332 3.517 0 40 FHAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1cccs1 11694397 QHPZBBRHABXUTI-UHFFFAOYSA-N 359.426 3.792 0 40 FHAB Cn1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c2ccccc21 12543202 ANUOMXLNJPXVFV-SFHVURJKSA-N 362.429 3.927 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)COc2ccccc2C)c(OC)c1 12773088 UKJOCZSPEXVWBC-SFHVURJKSA-N 355.434 3.755 0 40 FHAB O=C(CN1CC=C(c2c[nH]c3ccccc23)CC1)NCc1cccs1 13000614 BAQGUMVVIURYTG-UHFFFAOYSA-N 351.475 3.635 0 40 FHAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCCCC1)c1ccccc1 13019250 DXWHLUINXOICSF-NRFANRHFSA-N 364.489 3.820 0 40 FHAB Cc1ccc(-c2csc(=O)n2CC(=O)N[C@@H](C)c2ccccc2)cc1 14183237 KFJJMUJHXVAKCR-HNNXBMFYSA-N 352.459 3.763 0 40 FHAB CCc1cc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)ccc1Cl 14632523 BSKITYYFATYHNV-ZFWWWQNUSA-N 369.845 3.744 0 40 FHAB COc1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)cn1 14797372 JOSDRZRAQOSMDF-UHFFFAOYSA-N 360.776 3.629 0 40 FHAB O=c1oc(-c2cccs2)nn1Cc1ncc(-c2ccc(Cl)cc2)o1 15399041 SDMQEFWBYJTYFY-UHFFFAOYSA-N 359.794 3.922 0 40 FHAB Cc1cc(C)cc(OCC(=O)NC[C@H](c2ccc(C)o2)N2CCCCC2)c1 15860193 SXKVIUOSBTXLFI-HXUWFJFHSA-N 370.493 3.927 0 40 FHAB NC(=O)c1ccc(COC(=O)c2cc(Br)ccc2Cl)cc1 16745161 FXZFJYYIJMSSMZ-UHFFFAOYSA-N 368.614 3.558 0 40 FHAB O=C(NC1=N[C@H]2CCCC[C@H]2N1C(=O)Nc1ccccc1)c1ccccc1 17074549 GZFWQNNKEHHSEK-ZWKOTPCHSA-N 362.433 3.631 0 40 FHAB Cc1ccc(C(=O)N2CCC(c3nnc(-c4ccc(C)nc4)o3)CC2)cc1 19135181 JLWRHNAXPGCZHB-UHFFFAOYSA-N 362.433 3.768 0 40 FHAB Cc1nccc(-c2cccc(-c3noc(CN4C[C@@H](C)C[C@H](C)C4)n3)c2)n1 19287581 NWFZKQYGFRSRAS-GJZGRUSLSA-N 363.465 3.980 0 40 FHAB COc1cccc(CN2CCC(c3nnc(-c4cccnc4)o3)CC2)c1 19564967 SOLKZHWVIOZXCI-UHFFFAOYSA-N 350.422 3.520 0 40 FHAB COc1ccc(CCNC(=O)C[C@@H](C)n2nc(C)c(Cl)c2C)cc1C 19571340 ZPWIJUYIGQYLCH-CYBMUJFWSA-N 363.889 3.780 0 40 FHAB Cc1cc(C)n([C@@H](C(=O)N[C@@H](C)c2ccc3c(c2)CCCO3)C(C)C)n1 19572640 CPZFUMGQKVEFBK-OXJNMPFZSA-N 355.482 3.899 0 40 FHAB CN(Cc1ccccc1N1CCOCC1)C(=O)C(C)(C)c1ccc(F)cc1 19718403 USJKSSNRUAEPHK-UHFFFAOYSA-N 370.468 3.599 0 40 FHAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(C(=O)O)c(O)c1 20141340 KCGVXWALBLUXDV-UHFFFAOYSA-N 356.161 3.658 0 40 FHAB C[C@@H](Cc1ccco1)NC(=O)Cn1ccc2ccc(Br)cc21 20716437 NWSAGOKJVQPDNK-LBPRGKRZSA-N 361.239 3.744 0 40 FHAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)C(C)C 21580202 NULHEDJRJRBANM-UHFFFAOYSA-N 368.462 3.708 0 40 FHAB Cc1nc(Sc2ncc(C(F)(F)F)cc2Cl)sc1CC(N)=O 22095071 LUMBTDYIQQDCHB-UHFFFAOYSA-N 367.805 3.698 0 40 FHAB Cc1cc(C)c([C@H](C)NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1C 22540517 OCACFEMEHSQSAQ-HNNXBMFYSA-N 358.869 3.759 0 40 FHAB COc1cccc([C@@H](CNC(=O)CSc2ccccc2C)N(C)C)c1 22683224 HDSWVMRYWPEKSU-GOSISDBHSA-N 358.507 3.515 0 40 FHAB Cc1sc2ncnc(NC[C@H]3CN(Cc4ccccc4)CCO3)c2c1C 23381247 LUANCSAMHDSAOY-KRWDZBQOSA-N 368.506 3.621 0 40 FHAB O=C(Nc1nc2ccc(F)cc2s1)c1ccc(CN2CCOCC2)cc1 23866751 UJTUBMMKDVXBOH-UHFFFAOYSA-N 371.437 3.520 0 40 FHAB COc1ccc(-c2nc(CCNC(=O)c3ccccc3OC)cs2)cc1 28288819 PRQJXNZYMNOQRQ-UHFFFAOYSA-N 368.458 3.800 0 40 FHAB CC(=O)Nc1nc2ccc(C(=O)Nc3ccc4cc[nH]c4c3)cc2s1 32102423 LGFYESBDDGVGLM-UHFFFAOYSA-N 350.403 3.988 0 40 FHAB CC(C)c1ccc(S(=O)(=O)Nc2nnc(-c3ccncc3)s2)cc1 32508835 BUIXMDNBXWLHMH-UHFFFAOYSA-N 360.464 3.524 0 40 FHAB CC(=O)CCC(=O)Nc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1 32609586 LSGFJPNJEQXYPE-UHFFFAOYSA-N 353.353 3.850 0 40 FHAB COc1cccc(-c2noc(CSCC(=O)Nc3ccccc3F)n2)c1 32721552 PRSIKCDKYPGMOL-UHFFFAOYSA-N 373.409 3.756 0 40 FHAB C[C@H](OC(=O)c1ccc(NC(N)=O)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 32945543 LFPUZDIZSZIGTH-PXRHCINRSA-N 370.449 3.508 0 40 FHAB O=C(NCCSc1ccccc1)C1CCN(Cc2ccc(F)cc2)CC1 39756234 CHZWNXMLIKDHST-UHFFFAOYSA-N 372.509 3.946 0 40 FHAB CC[C@H](CNC(=O)CCC(=O)c1ccccc1)N1CCc2ccccc2C1 40081364 LFHAEWKXHJKGOP-OAQYLSRUSA-N 364.489 3.603 0 40 FHAB COc1cc(/C=C/C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc(Cl)c1OC 40145724 DPWSXTNXGWHGLM-APPUJDCNSA-N 365.857 3.540 0 40 FHAB CCc1ccccc1NC(=O)COc1cc(C)nc(N2CCC[C@@H](C)C2)n1 44168403 NUUWEWIUPGVYRG-OAHLLOKOSA-N 368.481 3.601 0 40 FHAB O=C(NCCCc1ccccc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 44909246 RGFDQPPVZJDRQU-FQEVSTJZSA-N 354.469 3.787 0 40 FHAB CCN(C(=O)CN1CCC[C@@H]1Cc1ccc(OC)cc1)c1ccc(F)cc1 48290180 OIBWKIKSAVZINA-HXUWFJFHSA-N 370.468 3.894 0 40 FHAB CCn1cnnc1CNc1nc(C)nc2sc(-c3ccccc3)cc12 48299064 TUXXNEDPCGZJHV-UHFFFAOYSA-N 350.451 3.890 0 40 FHAB CC(C)c1ccc(S(=O)(=O)Nc2cccc(CN3CCOC3=O)c2)cc1 48354760 OJZJOJANWOJHRI-UHFFFAOYSA-N 374.462 3.563 0 40 FHAB Cc1ccc(N2CCN(CC(=O)N[C@@H]3C[C@H](C)CC(C)(C)C3)C2=O)cc1 49026106 BFPSJNCJCFCBTH-DLBZAZTESA-N 357.498 3.568 0 40 FHAB COc1ccc([C@@H](C)NC(=O)c2nnn(-c3ccc(Cl)cc3)c2C)cc1 51318194 BPDOANKVZKTQDK-GFCCVEGCSA-N 370.840 3.729 0 40 FHAB COc1ccc([C@@H]2NCc3ccccc3-n3cccc32)c(OC)c1OC 55211382 UISRWWAGULAENF-IBGZPJMESA-N 350.418 3.696 0 40 FHAB COc1cc(CC(=O)N(C2CC2)[C@H](C)c2ccco2)cc(OC)c1OC 56181522 TVNWYYVKTPVMGM-CYBMUJFWSA-N 359.422 3.600 0 40 FHAB O[C@@H](COCc1ccccc1Cl)CSc1nnc(-c2ccco2)o1 58223611 FRKCEXYAFURTKM-LBPRGKRZSA-N 366.826 3.653 0 40 FHAB COc1ccc(CNCCCn2ccnc2)cc1OCc1ccccc1 60806725 VFQNPMIJECHGGJ-UHFFFAOYSA-N 351.450 3.651 0 40 FHAB CCOc1cccc(CNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 61161399 ZERFOPDUBFNAMQ-UHFFFAOYSA-N 363.461 3.877 0 40 FHAB O=C(Nc1cccnc1N1CCOCC1)c1cc2c(s1)CCCCCC2 65824859 IIFJLCARFUSFHS-UHFFFAOYSA-N 371.506 3.891 0 40 FHAB COc1ccc(NC(=O)Cc2cccc(Br)c2)c(OC)c1 72064003 FHDJZXINAQGJIR-UHFFFAOYSA-N 350.212 3.648 0 40 FHAB c1ccc(-c2cc3c(NCCn4cnnc4C4CC4)ncnc3s2)cc1 75109737 DMKJWOFMKCKEQD-UHFFFAOYSA-N 362.462 3.939 0 40 FHAB CC(C)COC(=O)N1CCCN(C(=O)c2sccc2C2CC2)CC1 84544328 BDCFABMSFQVXEH-UHFFFAOYSA-N 350.484 3.566 0 40 FHAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CCc2sccc2[C@H]1C 84718195 DMNSNOFFJLJWFC-AUUYWEPGSA-N 368.502 3.730 0 40 FHAB CCn1c([C@H]2CCCN(C(=O)C(C)(C)c3ccccc3C)C2)n[nH]c1=S 89300572 QFDMLMABVUOQMJ-HNNXBMFYSA-N 372.538 3.953 0 40 FHAB O=S(=O)(Nc1ccc(F)cc1C(F)(F)F)c1ccc(F)c(F)c1 95535197 DGFYLMMSXLMAPD-UHFFFAOYSA-N 355.259 3.924 0 40 FHAB O=C(NCCCc1nnc2ccccn12)c1cc2ccc(Cl)cc2s1 96344351 RRROPQOYXDCVKZ-UHFFFAOYSA-N 370.865 3.960 0 40 FHAB CCn1c(SCC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)nnc1-c1cccc(C)c1 216028340 UICWCDQOPRENCF-BFYDXBDKSA-N 370.522 3.670 0 40 FHAB COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCC3)c(C)c1 223254838 PHJUAOZYBHLIRU-OAHLLOKOSA-N 359.491 3.840 0 40 FHAB Cc1ccccc1O[C@H](C)C(=O)NCC1(c2ccccc2)CCOCC1 223355462 JJMRKEQYAITHAN-GOSISDBHSA-N 353.462 3.627 0 40 FHAB COc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1Cl 225322236 GQAHAIZUTGCCRX-UHFFFAOYSA-N 358.869 3.527 0 40 FHAB CCCO[C@]1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCC[C@H](C)C1 225662473 WDQAWAHBXDEBPP-LAUBAEHRSA-N 362.514 3.941 0 40 FHAB CCO[C@](C)(CC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 225816410 ZSFWTSSLEUITNX-ORAYPTAESA-N 351.443 3.794 0 40 FHAB O=C(CCc1nc(-c2cccc3ccccc23)no1)NCc1ccccn1 225827570 DAMODOZPPOWDEM-UHFFFAOYSA-N 358.401 3.534 0 40 FHAB COc1ccc(CN2C[C@@H]3CN(C4CCCCC4)CCN3C(C)(C)C2)cc1 253407374 WDVMDMCFBZCFTL-OAQYLSRUSA-N 371.569 3.608 0 40 FHAB biogenic,in-vitro Cc1nc(Nc2nc(C)c(C)s2)cc([C@@H]2CCN(C(=O)C(C)C)C2)n1 257242639 IDKUIVWXHOJGMO-CQSZACIVSA-N 359.499 3.574 0 40 FHAB CCn1c([C@@H]2CCCN2C(=O)[C@@H]2CCc3cccnc32)nc2ccccc21 329347348 CKKVVVMJKSTKMJ-APWZRJJASA-N 360.461 3.845 0 40 FHAB COc1cc(OC)cc(C(=O)Oc2ccc(-c3cc(C)ccc3C)nn2)c1 408527385 FCKLKRCCFPQLOO-UHFFFAOYSA-N 364.401 3.997 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1C(=O)NC(C)C 408597247 ULSNEBVVJXNRTQ-UHFFFAOYSA-N 366.870 3.587 0 40 FHAB O=C(O)[C@H]1CS[C@@H](c2ccc(Sc3nc4ccccc4s3)o2)N1 408994538 ZOWWNPGSLOWSRD-RNCFNFMXSA-N 364.473 3.829 0 40 FHAB Cc1cc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)c(C)n1C 409125311 JRPWLVPNLXOYRE-YVLHZVERSA-N 354.431 3.561 0 40 FHAB COC[C@@H]1CN(Cc2ccco2)CC12CCN(Cc1ccc(C)o1)CC2 585102712 BHPZCSBGGMRBCQ-SFHVURJKSA-N 358.482 3.542 0 40 FHAB OCc1cc(-c2ccccc2)nc2cc(I)ccc12 685937317 NKDMWSVVUMKSOE-UHFFFAOYSA-N 361.182 3.999 0 40 FHAB CSCC[C@@H](NC(=O)CCCn1cccc1)c1nc2ccccc2[nH]1 1565520577 XAJLSZJAXPGJCY-QGZVFWFLSA-N 356.495 3.755 0 40 FHAB C[C@@H]1CN(C(=O)CCc2ccccc2C(F)(F)F)c2cccnc2O1 1583162505 HADAZGCGXWSIQA-GFCCVEGCSA-N 350.340 3.847 0 40 FHAB Fc1ccccc1-n1c(S)nnc1-c1cncc(Br)c1 12324263 YDBKLUOIUGMMAJ-UHFFFAOYSA-N 351.204 3.520 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(-c3cccc(O)c3)o2)cc1C 976130 VYGSANZTMOCKCS-UHFFFAOYSA-N 355.419 3.790 0 40 FHAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1nc(-c2ccccc2)no1 78579701 NTLJYRPMQFVZJS-KRWDZBQOSA-N 365.433 3.827 0 40 FHAB Cc1ccc2c(c1)[C@@]1(S[C@@H](C)C(=O)N1c1ccc(Cl)cc1)C(=O)N2 1592909 AXMXQDBPLGTQAW-BBATYDOGSA-N 358.850 3.922 0 40 FHAB Cc1nnc(-c2ccc(C(=O)Nc3nnc(CC4CCCC4)s3)cc2)o1 78966081 KKFDTCXEPPCZMN-UHFFFAOYSA-N 369.450 3.882 0 40 FHAB O=C1N[C@@H](CCc2ccccc2)C(=O)N1Cc1cccc(C(F)(F)F)c1 22705878 RTTMMSGVFRDCST-INIZCTEOSA-N 362.351 3.759 0 40 FHAB Cn1ncc(Cl)c1-c1nnc2sc(-c3cccc(Cl)c3F)nn12 79488765 UELUAMDXAJBMGW-UHFFFAOYSA-N 369.212 3.699 0 40 FHAB CCN(CC)c1ccc(C(=O)OCC(=O)NCc2ccc(Cl)cc2)cc1 3396509 UESSDIQPPBWVDD-UHFFFAOYSA-N 374.868 3.659 0 40 FHAB CCCCOC(=O)c1ccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)cc1 22991005 ZUYZVLJVPCKEGA-UHFFFAOYSA-N 364.401 3.737 0 40 FHAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2C)cc1 812960 ROBMEOUUNDUXSU-UHFFFAOYSA-N 368.462 3.612 0 40 FHAB COc1cc(/C=C/C(=O)Nc2ccc(F)cc2Cl)cc2c1OCCO2 7777524 SJCMFKSOFDWWTD-GORDUTHDSA-N 363.772 3.911 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(-c2ccc(C=O)o2)cc1 8268716 PFQWYMOKXAXLLO-KBXCAEBGSA-N 369.417 3.611 0 40 FHAB COc1cc(/C=C/C(=O)Nc2cnc(-c3ccccc3)nc2)cc(OC)c1 24982754 HXEQDFSKKIOTJM-CMDGGOBGSA-N 361.401 3.813 0 40 FHAB COC(=O)COc1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1 24948802 GCHFQJLUMGVMAV-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCCN(C(=O)c3ccccc3F)CC2)C1(C)C 97135875 OUVBSWOXBSIONV-HKUYNNGSSA-N 372.484 3.739 0 40 FHAB Cc1cc(NC(=O)CNc2cccc(OCc3ccc(F)cc3)c2)no1 26787689 HACQHYVOUXROOG-UHFFFAOYSA-N 355.369 3.752 0 40 FHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccccc1C(N)=O 12698690 JFKJCISJNYKLPH-UHFFFAOYSA-N 355.394 3.609 0 40 FHAB C[C@H](C(=O)Nc1ccccc1F)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12781715 ABCKSCSMIUHJDE-HZPDHXFCSA-N 369.440 3.503 0 40 FHAB O=C(Cc1ccc2c(c1)CCCC2)NC[C@H](c1ccco1)N1CCCC1 44714874 UMMNEENVQTUNCS-HXUWFJFHSA-N 352.478 3.654 0 40 FHAB Cc1cc(=O)n(-c2c(C)cccc2Cl)c(/C=C(\O)c2ccncc2)n1 102943852 RJDBSSBLPZRWTK-WJDWOHSUSA-N 353.809 3.954 0 40 FHAB Cc1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)ccc1Oc1cccnc1 58167313 JLKJKYKEPAKRQA-IRXDYDNUSA-N 352.390 3.788 0 40 FHAB CN(C(=O)Nc1ccc(C(=O)c2nccn2C)cc1)C1CCCCCC1 58159935 VSXLEEHYJNKXEC-UHFFFAOYSA-N 354.454 3.838 0 40 FHAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N2CC[C@H](c3ccccc3)C2)c1 58226450 MYNAFFHRPDBVSQ-BEFAXECRSA-N 351.450 3.905 0 40 FHAB Cn1cnnc1Sc1ccc(NC(=O)CCc2c(F)cccc2F)cc1 58268635 DHQQQUNSEUCMCP-UHFFFAOYSA-N 374.416 3.816 0 40 FHAB Cc1ccc(S[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 58104423 LTALLIVKUAQZTM-IEBWSBKVSA-N 354.519 3.866 0 40 FHAB COc1ccc(OC[C@H]2[C@H]3CC[C@@H](C3)N2C(=O)C2CCC(OC)CC2)cc1 100113459 WHXDNXKKSMEEFL-YYTLFTPESA-N 373.493 3.659 0 40 FHAB COc1cc(C)c(S(=O)(=O)Oc2ccccc2C(C)C)cc1OC 27943516 OWFKPPRQXMETSH-UHFFFAOYSA-N 350.436 3.903 0 40 FHAB O=C(Cn1ccc(=O)c2ccccc21)N1CCC[C@H]1c1ccc(F)cc1 58427183 WMENGWHKMKTVEU-SFHVURJKSA-N 350.393 3.504 0 40 FHAB Cc1ccc(CN(CCCN(C)C)Cc2c[nH]nc2-c2cccs2)o1 57810845 YOFXXLIYQCBRDC-UHFFFAOYSA-N 358.511 3.994 0 40 FHAB CCC[C@]1(c2ccccc2)NC(=O)N(CCOc2ccccc2C)C1=O 8942322 PYNLUGWBMDRIDY-OAQYLSRUSA-N 352.434 3.621 0 40 FHAB CC(=O)N[C@@H](CC(=O)N1CCc2sccc2C1)c1ccc(Cl)cc1 10923625 FIPOQMPIJCZNHZ-INIZCTEOSA-N 362.882 3.554 0 40 FHAB Cc1cccc(C)c1OCc1nc2c3cnn(-c4ccccc4)c3ncn2n1 2349479 KGFCTHHEFNWDAV-UHFFFAOYSA-N 370.416 3.659 0 40 FHAB COc1cc2nc(-c3ccccc3)nc(N3CCSCC3)c2cc1OC 2358605 SJJBSKQIUCYPEC-UHFFFAOYSA-N 367.474 3.867 0 40 FHAB Cc1nn(C)cc1-c1nn(-c2ccc(F)cc2)c(-c2cn(C)nc2C)c1C 36611530 HFRPKKZQKWJDDW-UHFFFAOYSA-N 364.428 3.738 0 40 FHAB CN(C)CCCNC(=O)CCN1c2ccccc2Sc2ccccc21 3306140 HZKXHGRGHGWBBJ-UHFFFAOYSA-N 355.507 3.747 0 40 FHAB Cc1nn(C)c(C)c1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 48301823 QMSHOBFANWHKQJ-UHFFFAOYSA-N 358.829 3.917 0 40 FHAB COc1ccc(C(N)=O)cc1NC(=O)N(C)Cc1ccc2ccccc2c1 45644774 JMBCUZZLQQBFSJ-UHFFFAOYSA-N 363.417 3.611 0 40 FHAB CCCn1nc(C(=O)Nc2ccccc2N2CCc3ccccc32)ccc1=O 36748335 TZZNRGGKBFCAOB-UHFFFAOYSA-N 374.444 3.600 0 40 FHAB CC(C)(C)c1ccc(O)c(NC(=O)c2ccc(Cn3cncn3)cc2)c1 10892635 YJTTWHSYJQMFRI-UHFFFAOYSA-N 350.422 3.582 0 40 FHAB C[C@@H](CC(=O)NCCNC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 60158533 LDRUFZYLVAEVKQ-LBPRGKRZSA-N 374.403 3.840 0 40 FHAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)O)c2)c1 20152145 RMVBYNXOMBLBAQ-UHFFFAOYSA-N 362.838 3.782 0 40 FHAB CCc1ccc(Cn2nccc2NC(=O)c2ccc3c(c2)nnn3CC)cc1 29766209 SUUIISPKERLOLH-UHFFFAOYSA-N 374.448 3.511 0 40 FHAB Cc1cc(C(=O)OCc2nc3ccccc3n2C(F)F)c2c(C)noc2n1 22519926 UHJLUPHHKHZLLT-UHFFFAOYSA-N 372.331 3.941 0 40 FHAB CCCc1sc(C(=O)NCc2cccnc2-n2ccnc2)cc1CC 29950958 BCTBMZYHEBWHIF-UHFFFAOYSA-N 354.479 3.774 0 40 FHAB Cc1nn(CC(C)C)c(C)c1CC(=O)NCc1ccc(OC(F)F)cc1 8935421 ABRDIPRSJRZHFT-UHFFFAOYSA-N 365.424 3.616 0 40 FHAB CCOc1ccc2nc(NC(=O)COc3cccc(C(C)=O)c3)sc2c1 3559760 VERVOKGOWDPSOT-UHFFFAOYSA-N 370.430 3.915 0 40 FHAB Cc1cc(OCC(=O)Nc2ccc(C(=O)NC3CC3)cc2)ccc1Cl 12911736 VHGFCLVISMVCMO-UHFFFAOYSA-N 358.825 3.558 0 40 FHAB COC(=O)c1cccc(OCC(=O)N[C@H](C)c2ccc3ccccc3c2)c1 12907210 SVHOYWHSYUYQJP-OAHLLOKOSA-N 363.413 3.883 0 40 FHAB O=C(Nc1cccc2cn[nH]c12)c1nn(-c2ccc(F)cc2)c2c1CCC2 13006157 HZNCZDJMQPEZDE-UHFFFAOYSA-N 361.380 3.629 0 40 FHAB Cc1cccc(C)c1OCc1nnc(SCC(=O)O)n1-c1ccccc1 3886911 HWWPQIBEGXKCRW-UHFFFAOYSA-N 369.446 3.640 0 40 FHAB COc1ccc([C@@]2(O)CN(c3cccc(Cl)c3)C3=[N+]2CCCCC3)cc1 27525084 SOWLIQVULXEGAZ-NRFANRHFSA-N 371.888 3.999 0 40 FHAB CCSc1nnc(NC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)s1 9137593 UCIYFRVZJMPUAT-UHFFFAOYSA-N 361.448 3.626 0 40 FHAB O=C1N[C@@]23c4ccccc4CC[C@]2(C1=O)c1ccccc1N3c1ccccc1 4114189 RXHIGRINJNEEOG-DNQXCXABSA-N 366.420 3.574 0 40 FHAB C[C@@H](OC(=O)CCC(=O)NC1CCCCC1)C(=O)c1cccc(Cl)c1 6176134 GYVRYSQJAOYTTR-CYBMUJFWSA-N 365.857 3.684 0 40 FHAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccccc2Cl)C1=O 4308455 CEPKHALMTKTGGJ-LJQANCHMSA-N 374.799 3.519 0 40 FHAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN(C)c1ccc2ccccc2c1 5262066 WVXUCSNOVZUQKR-JOCHJYFZSA-N 360.457 3.593 0 40 FHAB O=C(COc1ncnc2ccccc12)Nc1ccc(N2CCCCC2)cc1 6347002 KUFKCGCUBPBWCV-UHFFFAOYSA-N 362.433 3.638 0 40 FHAB C[C@@H]1CN(C(=O)c2ccc(CN[C@@H]3CCCC[C@@H]3C3CC3)cc2)C[C@@H](C)O1 96003157 MCRIAALTXYIHNB-XWOARTFESA-N 370.537 3.994 0 40 FHAB CC(=O)NCc1ccc(-c2csc(NC(=O)CCc3ccco3)n2)cc1 14138467 NEAQKYZJBNOQEJ-UHFFFAOYSA-N 369.446 3.611 0 40 FHAB CN1C(=O)[C@@](O)(CC(=O)c2ccc3ccccc3c2)c2cc(Cl)ccc21 4555359 AQDIOZZZEFEXLO-OAQYLSRUSA-N 365.816 3.930 0 40 FHAB CC(=O)Nc1ccccc1OCCOc1cccc(Br)c1 5442579 LYPLNZAVIPVFSC-UHFFFAOYSA-N 350.212 3.865 0 40 FHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)cc1Cl 20109049 XGQWOUSYFROCON-UHFFFAOYSA-N 360.262 3.823 0 40 FHAB CC[C@@H](C(=O)N1CCc2ccccc21)n1nnc(-c2ccc(Cl)cc2)n1 15190900 UVRKXUSLTQEOLO-INIZCTEOSA-N 367.840 3.534 0 40 FHAB COc1cccc(-n2ccnc2SCC(=O)c2ccccc2OC)c1 26044847 AHKCTAKTKJZMIF-UHFFFAOYSA-N 354.431 3.865 0 40 FHAB Cc1nc(-c2nnn(-c3ccc(Cl)cc3)c2C)sc1C(=O)NC1CC1 67349827 DNQJHEXBUQWETF-UHFFFAOYSA-N 373.869 3.553 0 40 FHAB CCCSc1nc2ccccc2n1CC(=O)NCc1ccccc1OC 15587465 PQZIBHLLFPMNOU-UHFFFAOYSA-N 369.490 3.863 0 40 FHAB O=C(c1cccs1)N1CCC(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)CC1 7626820 ONBGKXQAKILJKE-DOTOQJQBSA-N 360.523 3.639 0 40 FHAB O=S(=O)(Oc1ccc(C2SCCS2)cc1)c1ccc(Cl)nc1 16085658 QGJPZCYYOXLNMW-UHFFFAOYSA-N 373.908 3.981 0 40 FHAB O=C(Nc1nc(-c2cc(F)ccc2F)cs1)[C@H]1COc2ccccc2O1 7723926 PKHHUCCCOLJJHY-MRXNPFEDSA-N 374.368 3.867 0 40 FHAB O=C(NCCCN1CCCCCC1=O)C(c1ccccc1)c1ccccc1 7798181 XEUNYDSBOVGQRV-UHFFFAOYSA-N 364.489 3.727 0 40 FHAB CCc1ccccc1NC(=O)CNC(=O)c1cc2c(s1)CC[C@H](C)C2 8024123 WHHYTIJMDWXPEL-ZDUSSCGKSA-N 356.491 3.804 0 40 FHAB CC(=O)N[C@H](CC(=O)Nc1nnc(C2CCCCC2)s1)c1ccccc1 16722226 SOBDJIFMLKGGFA-MRXNPFEDSA-N 372.494 3.792 0 40 FHAB Cc1nc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)n2C)sc1C 8365554 VVMPEVMPRYZVHJ-GFCCVEGCSA-N 373.507 3.675 0 40 FHAB Cc1ccc(OCc2ccc(-c3nc4c5cn[nH]c5ncn4n3)cc2)c(C)c1 8549660 ORJOBLQHCFYHFP-UHFFFAOYSA-N 370.416 3.863 0 40 FHAB COc1ccc2c(c1)CN(C(=O)c1cc(-c3ccccc3F)on1)CC2 95369558 OZYULIPSNWCFGD-UHFFFAOYSA-N 352.365 3.688 0 40 FHAB CN(Cc1ccc(F)cc1F)C(=O)[C@H]1CCCCN1C(=O)c1ccccc1 95349249 XRLWIHSDSLFRMY-LJQANCHMSA-N 372.415 3.618 0 40 FHAB COc1ccc(C(=O)N2CCCC2)cc1NCCc1ccc2c(c1)CCO2 95467453 CKTBXFSAHQERAN-UHFFFAOYSA-N 366.461 3.521 0 40 FHAB COCCN(C)Cc1ccnc(NCc2ccc(OC(C)C)c(OC)c2)c1 95450110 HRHUNIMYGXJBGS-UHFFFAOYSA-N 373.497 3.568 0 40 FHAB CC(=O)c1ccc(CNC(=O)c2cc(C3CC3)nc3ccccc23)nc1C 95450925 CNLUCQPDDRTONY-UHFFFAOYSA-N 359.429 3.948 0 40 FHAB Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)C(C)(C)C)cc3n2)cc1 408625814 FTYNDCOSYJXXGQ-UHFFFAOYSA-N 367.478 3.588 0 40 FHAB CCc1ccc([C@@H]2COCCN2C(=O)c2ccc3[nH]c(=S)oc3c2)o1 73827057 BXSYPVQNNKRFBD-AWEZNQCLSA-N 358.419 3.859 0 40 FHAB Cn1cc(NC(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)cn1 95999261 NOHPZMWPYQOKQZ-INIZCTEOSA-N 366.425 3.619 0 40 FHAB CC(=O)N[C@@H](C)c1ccc(C2=NN=C(Nc3ccccc3F)SC2)cc1 9908756 XUYWKWOOCIRNRD-LBPRGKRZSA-N 370.453 3.942 0 40 FHAB Cc1ccc(OCc2nnsc2Cl)c(C(=O)Nc2ccncc2)c1 75105907 NAPHBUHFTXVOSK-UHFFFAOYSA-N 360.826 3.726 0 40 FHAB COc1cc(C)c(NC(=O)c2cccnc2OCC(F)(F)F)cc1OC 24639147 FHJIFVQUXKOEPC-UHFFFAOYSA-N 370.327 3.601 0 40 FHAB Cc1cc(S(=O)(=O)N(Cc2cccn2C)C2CC2)c(Cl)cc1Cl 62018336 BEDZDJATKARHLP-UHFFFAOYSA-N 373.305 3.994 0 40 FHAB O=C1S/C(=C/c2cccnc2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 215178548 GYQNRQHHFBIELX-SYZQJQIISA-N 374.805 3.700 0 40 FHAB Cc1ccc2c(Nc3ccccc3)c(C(=O)N3CCSCC3)cnc2n1 49004889 MDDMBVOMUWMLDO-UHFFFAOYSA-N 364.474 3.871 0 40 FHAB Cc1ncccc1CNC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 527885131 YLUYVXDVGMKPPB-LBPRGKRZSA-N 353.344 3.849 0 40 FHAB Cc1cc(N2C[C@H](C)C[C@@H](C)C2)nc(NC(=S)NC2CCCCC2)n1 226009125 QUAYGLFUYSGHSS-ZIAGYGMSSA-N 361.559 3.886 0 40 FHAB COc1ccc2c(c1)OC(C)(C)CN(CCc1ccccc1C(=O)O)C2 571778903 YARXZCCSHFEGCK-UHFFFAOYSA-N 355.434 3.609 0 40 FHAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 225400576 SCGNZTNHUHVHBW-MRXNPFEDSA-N 372.896 3.663 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 223150467 XYMXLTYVTSYNLZ-IBGZPJMESA-N 372.896 3.744 0 40 FHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc(F)cc1 224623843 SFROYUGFWBGDIX-QGZVFWFLSA-N 351.805 3.832 0 40 FHAB CC(C)(C)OC(=O)N1CC[C@H](CNCc2ccc(Br)cc2)C1 89223555 JQFLRYKFNUHUFO-CQSZACIVSA-N 369.303 3.796 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 224123035 VIPSQTWOEXZIJH-NRFANRHFSA-N 366.505 3.789 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)NCCSc1ccc(Cl)cc1 225591981 VJHNIVXVMLUOLQ-UHFFFAOYSA-N 359.875 3.858 0 40 FHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)[nH]1 223449932 LDEXVPOYBXIDBB-MOPGFXCFSA-N 363.490 3.594 0 40 FHAB COC(=O)c1ccc(OC)c(NC(=O)C2(c3ccccc3)CCCC2)c1 223405895 NFGGIFKAYNRILV-UHFFFAOYSA-N 353.418 3.932 0 40 FHAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C(C)(C)C)c1 223047955 OIBYVXYAJPMSDP-QZTJIDSGSA-N 372.538 3.647 0 40 FHAB C/C(=C\C(=O)N1CCC[C@H](c2nnc(S)n2C(C)C)C1)c1ccccc1 584906827 WOBARFVLPBNTSF-VMEIHUARSA-N 370.522 3.957 0 40 FHAB O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc2[nH]ccc2c1 96117313 LGJATEQWGDXMBC-UHFFFAOYSA-N 351.425 3.701 0 40 FHAB O=C(Cc1cccs1)N1CCC[C@@H]1c1ccc(CN2CCCC2)cn1 257206654 BEKFLCVDJIFDIE-LJQANCHMSA-N 355.507 3.645 0 40 FHAB Cc1ccccc1CC(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1 25966163 SJLFIQSJLUCYML-UHFFFAOYSA-N 364.367 3.697 0 40 FHAB CC1(C)CC2(CCN(CC(=O)Nc3cccc4c3CCCC4)CC2)CO1 257290769 QEGJJVZJRUCMCC-UHFFFAOYSA-N 356.510 3.785 0 40 FHAB Cc1cccc(Nc2cc([C@H]3CCCN3C(=O)c3cnc(C)nc3)ccn2)n1 257328915 XHPAGFFRBMOBPG-GOSISDBHSA-N 374.448 3.604 0 40 FHAB CNC(=O)c1ccc(NC(=O)N2CCC3(CCCCC3)CC2)c(OC)c1 626673355 UYICMOHDOMQEDY-UHFFFAOYSA-N 359.470 3.633 0 40 FHAB C[C@H]1CN(C(=O)c2ccc(CN[C@@H](C)C(C)(C)C(F)F)cc2)C[C@@H](C)O1 657855555 GQQGNEQSUUBBPW-ZNMIVQPWSA-N 368.468 3.705 0 40 FHAB O=C(c1ccccc1Br)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1775967253 KAPIELSOWWVODE-STQMWFEESA-N 360.255 3.654 0 40 FHAB O=C(NCc1cccc(Oc2ccccn2)c1)c1ccc2nsnc2c1 96382439 QFKNMSDANGZCDU-UHFFFAOYSA-N 362.414 3.809 0 40 FHAB O=C(c1ccc2ccccc2c1)N1CCC[C@@]2(CCN2C[C@@H]2CCCO2)C1 585101761 DWYRCNGAGPJNNT-JTHBVZDNSA-N 364.489 3.699 0 40 FHAB O=C(C[C@@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccc(F)cc1 644129 BDNAEDXMOWNCIW-INIZCTEOSA-N 354.164 3.545 0 40 FHAB O=C(Cc1ccc(F)cc1F)N1CCC(c2ccc3cccnc3n2)CC1 655266527 HEXDOGOMZDVWJV-UHFFFAOYSA-N 367.399 3.857 0 40 FHAB Cc1nc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)co1 1615157964 PAWJLIOKWLTYIU-KDOFPFPSSA-N 357.429 3.642 0 40 FHAB O=C(Nc1ccc2c(c1)OCCO2)c1cc2cc(Br)ccc2[nH]1 5423455 MDMFVCCGYBIJOX-UHFFFAOYSA-N 373.206 3.954 0 40 FHAB COc1ccccc1CC(=O)N1CCC(c2onc3c2CCCCC3)CC1 12119958 WYJYDONCURVJNJ-UHFFFAOYSA-N 368.477 3.901 0 40 FHAB O=C(C1CCCC1)N1CCCc2cc([C@@H](O)CN3CCCCC3)ccc21 12291622 BNDPOGVNZJOCEF-NRFANRHFSA-N 356.510 3.675 0 40 FHAB COc1ccc([C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1OC 14220422 MYFMMTXGWWVJPC-CQSZACIVSA-N 371.458 3.897 0 40 FHAB O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)N1CCCCCC1 15052816 JALHAHMEEANHNM-JUBDITTISA-N 370.474 3.682 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)NCc2ccccc2CN2CCCCC2)c1 15360792 AZMIELWCZJUTJQ-UHFFFAOYSA-N 372.534 3.768 0 40 FHAB C[C@H](CNC(=O)c1ccccc1I)c1ccccc1 15744880 KJSIWZIFAQXUJF-GFCCVEGCSA-N 365.214 3.825 0 40 FHAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)c3cccs3)C2)n1 19286852 NLDXCDLBFIXWJC-INIZCTEOSA-N 364.474 3.928 0 40 FHAB O=C(c1ccccc1F)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1 19347553 QBYDQFPEFVIUME-GOSISDBHSA-N 350.397 3.978 0 40 FHAB CC[C@@H](C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1)n1nc(C)cc1C 19499372 ZPSSBVZSDODWNK-PXNSSMCTSA-N 373.472 3.908 0 40 FHAB Cc1cc(C)n([C@@H](C)C(=O)Nc2ncc(-c3ccc(C)c(C)c3)n2C)n1 19660650 DELLRVRLTIMSLF-INIZCTEOSA-N 351.454 3.717 0 40 FHAB CCn1cc(CN(C)C(=O)Cc2c(C)[nH]c3c(C)ccc(C)c23)c(C)n1 19660802 KMGPIILJDXGVOR-UHFFFAOYSA-N 352.482 3.819 0 40 FHAB Cc1cnc(C(=O)N2CCC[C@H]2c2ccc(Cc3ccccc3)cn2)cn1 19687857 MHQHXMNGZQXLFT-NRFANRHFSA-N 358.445 3.748 0 40 FHAB O=C(NCc1ccc(Cl)cc1Cl)c1cnc(-c2ccccc2)[nH]c1=O 19937189 RTRHKHCEQYYDBT-UHFFFAOYSA-N 374.227 3.674 0 40 FHAB COc1ccc(NCN2C(=O)S/C(=C/c3ccccc3OC)C2=O)cc1 4645839 OVPHEONCIFQROP-GZTJUZNOSA-N 370.430 3.810 0 40 FHAB O=C(Nc1c(F)cccc1F)NC1(C(F)(F)F)Oc2ccccc2O1 2725266 DMSWEURBFFVWIP-UHFFFAOYSA-N 360.238 3.774 0 40 FHAB CCOc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)CC)cc1 3350615 TVIDKOCBLIMSHU-KXBFYZLASA-N 354.450 3.869 0 40 FHAB CN(C)c1ccc(C(=O)OCC(=O)c2cccc(Br)c2)cc1 5404344 YEKNGNVZWYPFIL-UHFFFAOYSA-N 362.223 3.555 0 40 FHAB Cc1sc(N2CCN(C)CC2)nc1-c1ccc(Br)cc1 5937165 UIUINLWJWVQGBU-UHFFFAOYSA-N 352.301 3.633 0 40 FHAB Cc1cccc(O[C@H]2CCN(C(=O)NCc3cccc4ccccc34)C2)n1 238844298 IBFCKCBHQUOMQH-IBGZPJMESA-N 361.445 3.906 0 40 FHAB CCc1ccccc1N(C(=O)c1ccc(C)c(C)c1)[C@@H]1C=CS(=O)(=O)C1 4165562 VKOCSQAJUPGYJS-LJQANCHMSA-N 369.486 3.823 0 40 FHAB O=C(NCCc1csc2nc(-c3cccs3)nn12)c1ccc(F)cc1 5166231 ZFAFEBQNRQUMKG-UHFFFAOYSA-N 372.450 3.631 0 40 FHAB COc1ccc2cc(-c3nc(-c4ccc(OC)c(F)c4)no3)c(=O)oc2c1 12878131 AMAQUQAYBKXIDU-UHFFFAOYSA-N 368.320 3.666 0 40 FHAB O=C1Nc2ccccc2CC[C@@H]1Sc1nnc(-c2ccncc2)s1 20718143 SPCRQTDCVNGJHL-AWEZNQCLSA-N 354.460 3.646 0 40 FHAB O=C(NC[C@H](c1ccsc1)N1CCC1)c1cccc(Br)c1 225593995 GIIFNBOXZZAUPX-OAHLLOKOSA-N 365.296 3.687 0 40 FHAB O=C(NC[C@](O)(c1ccoc1)c1cccs1)c1ccc(Cl)s1 245026642 NELIFHMCNBJGKQ-HNNXBMFYSA-N 353.852 3.722 0 40 FHAB COc1cc2nc(NC(=O)c3cnc4ccccc4n3)sc2cc1OC 21559536 OFJBVTLYWVJTIJ-UHFFFAOYSA-N 366.402 3.509 0 40 FHAB Cc1ccc(-c2nc(CN(C[C@H]3CCCO3)C[C@H]3CCCO3)cs2)o1 40120176 SBTRQLUDTQBTOD-IAGOWNOFSA-N 362.495 3.872 0 40 FHAB Cc1nn(C)c2ncc(C(=O)Nc3ccccc3N3CCCCCC3)cc12 31097941 OCPKRLITRLWHGS-UHFFFAOYSA-N 363.465 3.909 0 40 FHAB CC(=O)N[C@H](CC(=O)NCCCSc1ccccc1)c1cccs1 31552440 BRLYNPQKQQIQTH-MRXNPFEDSA-N 362.520 3.614 0 40 FHAB COc1ccc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)cc1Cl 20725702 HXZBEUOYQWWDLT-KXBFYZLASA-N 372.852 3.897 0 40 FHAB C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1cccc(F)c1 32755137 LNCDIZCATUBSAX-DZGCQCFKSA-N 360.454 3.617 0 40 FHAB COC(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 32901741 DCTLXVKCKHQXDL-NSHDSACASA-N 374.780 3.504 0 40 FHAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)c1ccco1 32907588 GIDBFHOQINTRFV-UHFFFAOYSA-N 374.440 3.999 0 40 FHAB COc1cc(OC)c(C(=O)N[C@@H]2CCSc3ccccc32)cc1OC 21898805 MHLBXHVRYKVVFR-CQSZACIVSA-N 359.447 3.679 0 40 FHAB CCn1ncc([C@@H](C)NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)c1C 2804050 SXJSGHGFXNXBDT-OCCSQVGLSA-N 358.486 3.841 0 40 FHAB NC(=O)CCOc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 47226089 QFKXQHUTILZBQU-UHFFFAOYSA-N 374.440 3.789 0 40 FHAB O=C(O)[C@@H](c1c[nH]c2cc(Br)ccc12)N1CCCCCC1 12408288 UNHSNUFOCYOOBE-OAHLLOKOSA-N 351.244 3.932 0 40 FHAB CN(C)c1cccc(C(=O)Nc2ccccc2I)c1 1097945 GHFZSVBXPZOLGN-UHFFFAOYSA-N 366.202 3.610 0 40 FHAB CCCN1C(=O)/C(=C\c2ccccc2Br)C(C(=O)OC)=C1C 6654694 RMFVFIVGFMBSIF-RAXLEYEMSA-N 364.239 3.532 0 40 FHAB CC(C)C(=O)Nc1ccc(C(=O)COC(=O)CCc2ccsc2)cc1 7556708 YNUHZKRXUUXZFS-UHFFFAOYSA-N 359.447 3.701 0 40 FHAB O=C(NCCC(c1ccccc1)c1ccccc1)N1CCC[C@@H](CO)C1 24563176 LAKSDQIRVINBIT-GOSISDBHSA-N 352.478 3.623 0 40 FHAB CCC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 10314997 IBZUTQAWGIZGBG-OAHLLOKOSA-N 360.479 3.714 0 40 FHAB CC[C@@H](C)NC(=O)CSc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 8692769 GGXJYBVCEFCUQL-LLVKDONJSA-N 373.503 3.658 0 40 FHAB Cc1ccc(OC(F)F)c(C(=O)COC(=O)c2n[nH]c3ccccc23)c1 12525418 SZDYCJYDEKLVAG-UHFFFAOYSA-N 360.316 3.512 0 40 FHAB O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc2ccccc2oc1=O 55944322 SZPGSQXFOOMULQ-MOPGFXCFSA-N 367.376 3.582 0 40 FHAB CCN(CC)[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1Cl 25873733 VPHCIPXCFYMMAN-SFHVURJKSA-N 366.914 3.701 0 40 FHAB CCCN(CCC)C(=O)Cn1c(-c2cccc(Cl)c2)nc(C)cc1=O 57526731 GJLDYPUIMNRLQC-UHFFFAOYSA-N 361.873 3.521 0 40 FHAB Cc1cc(SC2CCCCC2)ccc1NC(=O)[C@H](C)S(C)(=O)=O 58230668 ZCGDHERTAXOYSB-ZDUSSCGKSA-N 355.525 3.791 0 40 FHAB O=C(Nc1ccc(F)cc1)c1cc(=O)c2cc(Br)ccc2o1 27794839 BNPMASGMSNYKTF-UHFFFAOYSA-N 362.154 3.947 0 40 FHAB COc1ccc(CN(C(=O)C2[C@H]3CCCC[C@H]23)C2CCN(C)CC2)cc1 100773937 WPTAPHDKNNHVOQ-PMACEKPBSA-N 356.510 3.554 0 40 FHAB CCCc1cc(-c2nn3c(-c4cc(C)cc(C)c4)nnc3s2)n(C)n1 2182937 QAWCWYHBVVXVSP-UHFFFAOYSA-N 352.467 3.823 0 40 FHAB CC(C)c1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 2351907 CZLUFJGKOZCXHA-UHFFFAOYSA-N 356.441 3.677 0 40 FHAB COc1ccc(CNC(=O)c2cc3c(s2)-c2ccccc2OC3)cn1 11003174 JBPSEGKOCMAEQX-UHFFFAOYSA-N 352.415 3.641 0 40 FHAB COc1ccccc1NC(=O)NCc1nc(-c2cccc(Cl)c2)no1 115635642 SNYXVOUQPJUUEV-UHFFFAOYSA-N 358.785 3.720 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(-c3cnc(C)o3)cc2)c1C 29858221 SPAXQBJIHSHLRC-UHFFFAOYSA-N 353.378 3.634 0 40 FHAB O=C(COC(=O)/C=C/c1ccccc1)Nc1ccc(Br)cc1 3390809 MANPIUAOMLRUBT-IZZDOVSWSA-N 360.207 3.644 0 40 FHAB O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1cc2ccccc2oc1=O 11914101 AHEHWRDGKFXQPM-UHFFFAOYSA-N 367.361 3.703 0 40 FHAB C[C@H](NC(=O)c1cccc(I)c1)c1ccc(F)cc1 3336450 VUTVZIQOQUKRDG-JTQLQIEISA-N 369.177 3.921 0 40 FHAB CC(=O)Nc1cccc(C(=O)O[C@@H](C)C(=O)c2ccc(C(C)(C)C)cc2)n1 12841408 RPSZWBATPDGJBW-ZDUSSCGKSA-N 368.433 3.766 0 40 FHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)c1c[nH]c2ccccc12 3421490 VICBKHUICLHLQD-UHFFFAOYSA-N 354.715 3.885 0 40 FHAB CCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 12935471 KGKVJQRDVRCFPJ-UHFFFAOYSA-N 356.429 3.896 0 40 FHAB CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C)C(=O)Nc1ccc(OC)cc1 9195147 NEVFJKALJXMKHB-SAKMYQHLSA-N 360.498 3.991 0 40 FHAB CC(C)(C)Nc1nnc(SCC(=O)NCc2ccc(Cl)cc2)s1 9112840 FEYQJJGHEJDPMD-UHFFFAOYSA-N 370.931 3.810 0 40 FHAB CC(=O)Nc1ccc(CC(=O)NCc2ccc(-c3csc(C)n3)o2)cc1 9155618 FKTGZGTXHPJPGW-UHFFFAOYSA-N 369.446 3.529 0 40 FHAB CSc1nnc(S[C@H](C)C(=O)NC[C@H](C)c2ccccc2)s1 14093375 DALGKHBQPIBPEV-WDEREUQCSA-N 353.538 3.661 0 40 FHAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc(C(F)(F)F)nc1 26347306 QVVDQDZGZFCPMS-UHFFFAOYSA-N 351.353 3.982 0 40 FHAB CCOc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCCCC2 5476006 LKVSLWONFJMCDF-UHFFFAOYSA-N 358.463 3.767 0 40 FHAB COc1ccc(C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)cc1F 6538497 OVMWFEANNDOTCK-UHFFFAOYSA-N 368.360 3.786 0 40 FHAB CCN1CCN(c2ccc(NC(=O)c3ccc(CSC)cc3)cc2)CC1 9368634 MAISQMFDZUEDQE-UHFFFAOYSA-N 369.534 3.944 0 40 FHAB O=C(CCCc1nc2ccccc2s1)NC[C@@H](C(=O)O)c1ccccc1 95425546 WYPBTZDVJXKYNP-OAHLLOKOSA-N 368.458 3.604 0 40 FHAB COc1ccccc1C1=NN2[C@H](C1)c1ccccc1OC21CCN(C)CC1 4834744 VRQLGVAZBMHLNH-LJQANCHMSA-N 363.461 3.661 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 409002562 ORHXODMKXNCMGZ-DUXKGJEZSA-N 364.489 3.723 0 40 FHAB COc1ccc(CN(C(=O)c2ccc(NC(=O)C3CC3)cc2)C2CC2)cc1 15034899 HXVAOBXAPIVMFX-UHFFFAOYSA-N 364.445 3.849 0 40 FHAB CCCCOc1ccc(C(=O)OCC(=O)NCc2ccc(C)c(C)c2)cc1 67197667 JIQIXQLGHLEFGM-UHFFFAOYSA-N 369.461 3.956 0 40 FHAB Cc1cc(C)c(CNC(=O)c2ccc(SC(F)(F)F)cc2)c(=O)[nH]1 7118635 YVTVPJDFMVXPII-UHFFFAOYSA-N 356.369 3.534 0 40 FHAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C(C)C)cc2)CC1=O 7842961 YZATWVLDVMSEMW-INIZCTEOSA-N 352.434 3.810 0 40 FHAB COc1ccc(CC(=O)N[C@@H](c2cccs2)C(C)C)c(OC)c1OC 8013341 ABKGVFNDBPTNPF-QGZVFWFLSA-N 363.479 3.830 0 40 FHAB CC1(C)CN(C(=O)C2CC2)CCN1C(=O)c1ccc(Oc2ccccc2)o1 95463716 ZOWCJRYBBBDMIN-UHFFFAOYSA-N 368.433 3.545 0 40 FHAB CCN(C(=O)Cn1c(CO)nc2ccccc21)c1cccc2ccccc12 68938655 OCIGAFWYVOFWKN-UHFFFAOYSA-N 359.429 3.735 0 40 FHAB COc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1Cl 8135325 QVABKRMQKAVYLM-UHFFFAOYSA-N 358.825 3.723 0 40 FHAB COc1cc(/C=C/C(=O)Nc2cc3c(cc2Cl)OCO3)cc(OC)c1 8750609 TVBFGFABUWHWPW-ONEGZZNKSA-N 361.781 3.738 0 40 FHAB CCOc1ccc(C(=O)Nc2c(C)cnn2-c2ccccc2)cc1OC 95964532 LYOUWQFJBGALGU-UHFFFAOYSA-N 351.406 3.840 0 40 FHAB O=C(O)[C@@H]1CS[C@@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)N1 408807679 DJAJNFAFBIZKPP-WMZOPIPTSA-N 356.422 3.617 0 40 FHAB O=C(c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)N1CCCC1 408976871 GWGXYIMLWNKJIF-UHFFFAOYSA-N 357.417 3.856 0 40 FHAB C[C@H]1CCCN(Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)C1 20493273 RVXXUIKOBBBIOO-INIZCTEOSA-N 366.461 3.577 0 40 FHAB COc1ccc(OC)c(C(=O)c2oc3ccc(NC(C)=O)cc3c2C)c1 9419965 JTGOFGCGFPCQKP-UHFFFAOYSA-N 353.374 3.948 0 40 FHAB biogenic CN1C(=O)N/C(=C/c2ccccc2OCc2cccc3ccccc23)C1=O 409195845 WGUURZRVKPTOJF-CPNJWEJPSA-N 358.397 3.941 0 40 FHAB O=C(c1ccc(C(F)(F)F)cc1)N1CCN2CCc3ccccc3[C@H]2C1 36125825 ZPOXIIFLTDWBPY-GOSISDBHSA-N 360.379 3.761 0 40 FHAB CC(C)(C)C(=O)N[C@H]1CCCN(Cc2csc(-c3ccccc3)n2)C1 514103448 CARNFIZNAMFOAN-INIZCTEOSA-N 357.523 3.937 0 40 FHAB Cc1cccc(-c2noc(CNC(=O)CSCc3ccc(F)cc3)n2)c1 219263408 PZTUGFBDWPBHDZ-UHFFFAOYSA-N 371.437 3.734 0 40 FHAB COc1cc(C)c(S(=O)(=O)N2CCN=C2c2ccccc2)cc1C(C)C 72414421 LNZJQRSLTFXQJB-UHFFFAOYSA-N 372.490 3.578 0 40 FHAB Cc1ccc(OCCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 44908873 RUIVEMVTORLTNM-LJQANCHMSA-N 370.468 3.541 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)c(N)c2)c1 226268596 WCBWGILGWHVVCD-AWEZNQCLSA-N 369.465 3.917 0 40 FHAB O=C(c1ccc(-n2cccc2)cc1)N1CC[C@H](Oc2nc3ccccc3o2)C1 225680093 KZTPRSOFZGUPNX-SFHVURJKSA-N 373.412 3.912 0 40 FHAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 222993768 XJLVQFPREUNPHB-QGZVFWFLSA-N 370.468 3.702 0 40 FHAB NC(=O)c1ccc(Nc2nc(N3CCCCCC3)c3ccccc3n2)cc1 41149210 WCPWRSZCIFGRLZ-UHFFFAOYSA-N 361.449 3.853 0 40 FHAB COc1cccnc1NC(=S)NCCCSCc1ccccc1F 225613900 FWMSCKZGDQFDAM-UHFFFAOYSA-N 365.499 3.839 0 40 FHAB Cc1ccccc1OCCNS(=O)(=O)c1cc(Cl)ccc1Cl 223980076 HCZIRWIOQJJAII-UHFFFAOYSA-N 360.262 3.659 0 40 FHAB COc1cccc(NC(=O)[C@@H](C)Oc2nn(-c3ccccc3)cc2Cl)c1 227152661 OTXJKTQNTWFTPN-CYBMUJFWSA-N 371.824 3.940 0 40 FHAB c1cncc(COC[C@]23CCCO[C@H]2CCN(Cc2cccs2)C3)c1 96040087 QBORJASJTLBCMH-VQTJNVASSA-N 358.507 3.731 0 40 FHAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)c2cccn2C(C)C)cc1 583619073 RMNNTTVOKQXTBG-FPOVZHCZSA-N 356.466 3.590 0 40 FHAB O=C(O)c1cccc(-c2nc(CN3CCOC[C@H](C4CCC4)C3)cs2)c1 583636122 JPXYHNCQPTWNDL-QGZVFWFLSA-N 372.490 3.757 0 40 FHAB COc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)c2ccccc12 95945902 DQRUFSDOHWKGQK-UHFFFAOYSA-N 352.415 3.744 0 40 FHAB CCc1ccccc1NC(=O)C1CCN(C(=O)Cc2ccccc2)CC1 243361503 MAPLQMFVLVKNDS-UHFFFAOYSA-N 350.462 3.669 0 40 FHAB CC(C)NC(=O)CCCn1cc(-c2cccc(Br)c2)cn1 252506305 VYULZTDOSCNOGC-UHFFFAOYSA-N 350.260 3.617 0 40 FHAB Cc1cc2nccc(C3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)n2n1 257331471 XSZUKRUPXTVDFV-UHFFFAOYSA-N 359.433 3.539 0 40 FHAB C[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[C@H](c2ncncc2-c2ccccn2)CC1 257331096 XRILZVPAHAXQEN-VQHPVUNQSA-N 350.466 3.585 0 40 FHAB CC(C)(C)n1ncc2c(=O)n(Cc3c(Cl)oc4ccccc34)cnc21 621994427 SWZKHPCBBHKRAJ-UHFFFAOYSA-N 356.813 3.796 0 40 FHAB CN(C)C[C@@H]1CSCCCN1C(=O)c1ccc(-c2ccccc2)cc1 90699908 KPVRMXFVYCKLJF-HXUWFJFHSA-N 354.519 3.863 0 40 FHAB CC(C)C[C@H](C)CC(=O)N1CCC[C@@](C)(CNC(=O)C2(CF)CC2)C1 1775989233 HTLBFKUDNFNAHY-LPHOPBHVSA-N 354.510 3.553 0 40 FHAB Fc1cccnc1O[C@H]1CSC2(C1)CN(Cc1cccc3[nH]ccc13)C2 585104010 FMXRGUZRDDIWEH-OAHLLOKOSA-N 369.465 3.841 0 40 FHAB COC(=O)C[C@H](NC(=O)c1cccc2c1O[C@H](C)[C@H]2C)c1ccc(C)cc1 32821126 YYWSKOQFZSSXIP-CLCXKQKWSA-N 367.445 3.914 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3)n2C)cc1 862208 XECZONOOSBWFMI-UHFFFAOYSA-N 368.462 3.530 0 40 FHAB CC(=O)Nc1ccccc1OCc1cc2c(cc1Br)OCO2 5111880 FCVGTRODGXJOSZ-UHFFFAOYSA-N 364.195 3.715 0 40 FHAB O=C(Cn1cnc2ccccc2c1=O)OC(c1ccccc1)c1ccccc1 12771918 LRNNVHSKEFYFCD-UHFFFAOYSA-N 370.408 3.729 0 40 FHAB Cc1csc([C@H](Cc2ccsc2)NC(=O)[C@@H](C)Cn2ccnc2C)n1 19240114 KPCSDJINZPLHGE-LRDDRELGSA-N 374.535 3.754 0 40 FHAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@@H]3C[C@@H]3C)cc2n1 19522251 KLUFIWQOKOZSTA-SUHUHFCYSA-N 366.387 3.630 0 40 FHAB Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1N1CCCC1 19663971 NRJHXLJZFDZQDJ-INIZCTEOSA-N 366.461 3.857 0 40 FHAB Cn1c(=O)cc(C(=O)Nc2ccc3[nH]c(C(C)(C)C)nc3c2)c2ccccc21 19666186 SHFVJPYVHJBPPT-UHFFFAOYSA-N 374.444 3.965 0 40 FHAB COC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccc(OC)cc2)c1C 19931841 BPPRDWNZHDFYKW-CYBMUJFWSA-N 359.447 3.910 0 40 FHAB Cc1ccccc1-n1ccc2nc(N3CCc4ccccc4C3)ncc2c1=O 19958981 FXWOVBCVKSRYEQ-UHFFFAOYSA-N 368.440 3.652 0 40 FHAB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccco1 5580951 XLJFJATWSYJVGD-DJKKODMXSA-N 358.737 3.655 0 40 FHAB Cc1ncsc1CNC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 103853559 JAHDWEWCCVZFSV-VIFPVBQESA-N 359.373 3.911 0 40 FHAB Cc1ccccc1C(=O)N1CCN(Cc2nc(C(C)(C)C)cs2)CC1 23137140 ROMXELAAOJFEFY-UHFFFAOYSA-N 357.523 3.707 0 40 FHAB O=C(CNC(=O)c1ccccc1)O[C@@H](C(=O)c1ccccc1)c1ccccc1 3235012 VEGQCBGCQFPFBT-JOCHJYFZSA-N 373.408 3.584 0 40 FHAB aggregator O=C(CCC(=O)N1CC[C@@H](Oc2ccc3ccccc3n2)C1)c1ccccc1 244950803 FMLMXQCRARNUPS-LJQANCHMSA-N 374.440 3.878 0 40 FHAB Cn1cc(CN2CCC(O)(COc3ccccc3)CC2)c2cc(F)ccc21 2037909238 HDAPIJQCXQNCEA-UHFFFAOYSA-N 368.452 3.723 0 40 FHAB CC(C)c1ccc(CN2CCC[C@@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)cc1 2056226238 NRXUGJFAVONVFM-JOCHJYFZSA-N 371.525 3.788 0 40 FHAB Cc1cccc(N2C[C@@](O)(c3ccc(OC(F)F)cc3)[N+]3=C2CCCC3)c1 2966471 PROPKMANOPGBSD-OAQYLSRUSA-N 373.423 3.857 0 40 FHAB CCOc1ncccc1C(=O)Nc1ccc(-c2cn3c(n2)SCC3)cc1 4249092 ZBLISJOLTSRSNN-UHFFFAOYSA-N 366.446 3.702 0 40 FHAB COc1cccc(-c2nnc(NC(=O)c3ccccc3Br)o2)c1 4276040 XYCHLHGFLHXEDT-UHFFFAOYSA-N 374.194 3.760 0 40 FHAB COc1ccc(CCC(=O)NCc2cc(-c3ccc(C)cc3)on2)cc1 12235634 NQULPWGHNPAGFW-UHFFFAOYSA-N 350.418 3.908 0 40 FHAB COCCn1/c(=N/C(=O)c2c[nH]c3ccccc23)sc2cccc(F)c21 100873781 YZPIAGJAXFMJLH-QOCHGBHMSA-N 369.421 3.711 0 40 FHAB COc1ccc(-c2cnc(C(=O)NCCOc3cc(C)cc(C)c3)o2)cc1 206589120 XANGGKOPZOQVAB-UHFFFAOYSA-N 366.417 3.776 0 40 FHAB CO[C@H](CNS(=O)(=O)c1ccc(C)cc1C)c1ccccc1Cl 206852434 XSBFDEHKPUNDJY-MRXNPFEDSA-N 353.871 3.623 0 40 FHAB Cc1ccc(-c2nnc([C@@H](C)N3CCN(Cc4ccccc4)CC3)o2)cc1 22776722 ALAORAPDULYZEP-GOSISDBHSA-N 362.477 3.924 0 40 FHAB CCCn1c(NC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)nc2ccccc21 100492531 IKQXQSPZBBKREC-VKFLQFAXSA-N 353.466 3.716 0 40 FHAB CN(Cc1cccs1)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1 31528110 ZAEOEEKYBGNBDJ-UHFFFAOYSA-N 371.506 3.519 0 40 FHAB O=C(c1cncc(Br)c1)N1CCCc2cc(F)c(F)cc21 31926612 MDSPFMIHSMSRGK-UHFFFAOYSA-N 353.166 3.715 0 40 FHAB O=C(Nc1ccccc1F)[C@H]1CC(O)=Nc2cc(-c3ccc(F)cc3)nn21 32072420 BEQQFLHLKYUETR-MRXNPFEDSA-N 368.343 4.000 0 40 FHAB COc1ccccc1C(=O)N[C@H](C(=O)Nc1cc(C)cc(C)c1)C(C)C 20901640 IHWIMSNCWOWOBM-IBGZPJMESA-N 354.450 3.705 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)NC2CC(C)(C)NC(C)(C)C2)c1 32862282 BDRLCWZSKWONPM-UHFFFAOYSA-N 363.502 3.915 0 40 FHAB O=C(NC[C@@H]1CCOC1)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 52807467 YKWYNRAILORMJW-AWEZNQCLSA-N 373.884 3.561 0 40 FHAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cc2c(s1)CCCC2 22143910 XRQATEIMFOMOKF-UHFFFAOYSA-N 365.462 3.868 0 40 FHAB CCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)O[C@H](C)C(C)(C)C 706460 YSPKMEHEJZOWNY-CXAGYDPISA-N 360.454 3.691 0 40 FHAB Cc1cc(C)cc(-c2nnc(SCC(=O)NCc3cccs3)o2)c1 929482 FCUTYWQQXVXHAJ-UHFFFAOYSA-N 359.476 3.823 0 40 FHAB COc1ccc(CCNC(=O)c2ccc(C(F)(F)F)cc2)cc1OC 1085548 ANJSKWFJMXPKSN-UHFFFAOYSA-N 353.340 3.695 0 40 FHAB CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccccc1N 1364501 DCZGSRQZDUHHRL-UHFFFAOYSA-N 367.478 3.586 0 40 FHAB Cc1ccc(C(=O)c2ccc(CN3CCC4(CC3)OCCO4)cc2)cc1 2514716 JECSFEWZZDZRMX-UHFFFAOYSA-N 351.446 3.565 0 40 FHAB COCCc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 2662331 URWDRVSJMVUBHV-UHFFFAOYSA-N 353.340 3.912 0 40 FHAB Cc1ccc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1C 3473290 QGKBGZKIMCJJIJ-UHFFFAOYSA-N 356.491 3.871 0 40 FHAB CCOc1ccc(NC(=O)C[C@@H](Cc2cc(C)cc(C)c2)C(=O)O)cc1 3902919 HBSVOULBHMSHKC-QGZVFWFLSA-N 355.434 3.974 0 40 FHAB CN1C(=O)c2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2C1=O 4174162 FHKAAMUWDQXNST-UHFFFAOYSA-N 355.202 3.533 0 40 FHAB COc1ccc([C@@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)cc1O 4556438 DNUGRCTXVFHBQZ-QGZVFWFLSA-N 373.478 3.658 0 40 FHAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)n2ncnc2N1 4705301 HERWVFJSYHBDCE-KRWDZBQOSA-N 365.824 3.859 0 40 FHAB O=C(Nc1ccccc1C(=O)NCCOc1ccccc1)c1ccccc1 4761617 KRYQXIYMJIMURF-UHFFFAOYSA-N 360.413 3.748 0 40 FHAB CCOc1cc(S(=O)(=O)n2cc(C)nc2-c2ccccc2)ccc1F 4937409 HTCOZFTZPQVREP-UHFFFAOYSA-N 360.410 3.633 0 40 FHAB O=C(O)C[C@@H](NC(=O)c1cccc(Br)c1)c1ccc(F)cc1 4954401 IJCBRDUWUMQTOS-CQSZACIVSA-N 366.186 3.534 0 40 FHAB CCOc1ccc2nc(SCC(=O)Nc3ccccc3OC)[nH]c2c1 5024990 FKXBAZQEMPIYAO-UHFFFAOYSA-N 357.435 3.701 0 40 FHAB CCCCCn1nc(C(=O)Nc2cccc(OC)c2)c2ccccc2c1=O 5558379 CIWVDEXRRHVVMI-UHFFFAOYSA-N 365.433 3.848 0 40 FHAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1ccc2ccccc2n1 5627531 VFIIZFBSPODKGO-LJQANCHMSA-N 364.470 3.643 0 40 FHAB O[C@@H](COc1ccccc1)CSc1nnc(C2CC2)n1-c1ccccc1 7034349 CWTNRRCSQBHCAV-KRWDZBQOSA-N 367.474 3.677 0 40 FHAB C[C@@H]1CCN(C(=O)CSc2nnc(C3CC3)n2C)c2ccccc2S1 7235235 AYZQMPWSKSIZQI-GFCCVEGCSA-N 374.535 3.702 0 40 FHAB CC(=O)NCc1ccc(C(=O)CSc2nc3ccccc3s2)s1 7338895 XEGQYFYTHJQUOE-UHFFFAOYSA-N 362.501 3.969 0 40 FHAB Cc1ccccc1-n1c(SC[C@@H]2CCOCO2)nc2ccccc2c1=O 7781928 PDGWORALRHPJAC-HNNXBMFYSA-N 368.458 3.549 0 40 FHAB CN(Cc1ccc(Br)s1)S(=O)(=O)/C=C/c1ccccc1 8168793 URUXKAMHJYJECZ-MDZDMXLPSA-N 372.309 3.943 0 40 FHAB CSCc1ccc(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 8349667 NZXLSIFDKOSGAO-HNNXBMFYSA-N 366.490 3.964 0 40 FHAB O=C1c2ccccc2N[C@@H](C2=Cc3ccccc3OC2)N1C[C@H]1CCCO1 8710980 NUFDSZBVNZZHNU-DYESRHJHSA-N 362.429 3.535 0 40 FHAB O=C(Nc1nnc(Cc2ccc(F)cc2)o1)c1nc2ccccc2s1 8921154 KBKNHHDTGXBOGZ-UHFFFAOYSA-N 354.366 3.662 0 40 FHAB COc1ccc(N2C[C@@H](c3nc(-c4ccc(Cl)cc4)no3)CC2=O)cc1 9318357 IJKRZTQWUAQLBY-ZDUSSCGKSA-N 369.808 3.919 0 40 FHAB Cn1c(SCc2cc(-c3ccccc3)on2)nc2ccsc2c1=O 9450935 NEJQIWOYBYDNMA-UHFFFAOYSA-N 355.444 3.942 0 40 FHAB CCn1c(S[C@H](C)C(=O)NCc2ccccc2Cl)nnc1C1CC1 9501620 HFBJXYSDIVIWPQ-LLVKDONJSA-N 364.902 3.626 0 40 FHAB Cc1nc2ccccn2c(=O)c1NC(=O)C(c1ccccc1)c1ccccc1 9616789 LMYDMFAUFIGZGV-UHFFFAOYSA-N 369.424 3.774 0 40 FHAB CNC(=O)C1CCN(C(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)CC1 9790359 MTMCGNSELFOKHA-LJQANCHMSA-N 359.514 3.675 0 40 FHAB CCCn1nc(C(=O)OCc2cccc3cccnc23)c2ccccc2c1=O 10613783 GMLWXYRNUXLGIG-UHFFFAOYSA-N 373.412 3.712 0 40 FHAB Cc1ccc(-c2nn3c(-c4cccc(Br)c4)nnc3s2)cn1 11279660 QLULMSJECALGEK-UHFFFAOYSA-N 372.251 3.986 0 40 FHAB O=C(NCCc1nnc2ccccn12)c1cc2c(s1)-c1ccccc1CC2 11545510 GXUZYPQECUFPEQ-UHFFFAOYSA-N 374.469 3.529 0 40 FHAB Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc(N4CCOCC4)cc3)cc12 12088267 DTJKKIPYGDJWHC-UHFFFAOYSA-N 363.461 3.594 0 40 FHAB COc1ccccc1C(=O)Nc1nonc1-c1ccc(OC(C)C)cc1 12111521 SDYZYBIMXYHXSG-UHFFFAOYSA-N 353.378 3.785 0 40 FHAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)c2cnn(C)c2C)sc1C 12228048 CQAHVXGMXCTYGH-OAHLLOKOSA-N 360.508 3.577 0 40 FHAB O=C(NC(c1ccccc1)c1ccccc1)c1nc(-c2cccnc2)no1 12409917 ACRZYUHEUIXGGS-UHFFFAOYSA-N 356.385 3.651 0 40 FHAB COc1cccc(C2=NN(C(=O)C(C)C)[C@@H](c3ccc4nccnc4c3)C2)c1 12420770 YTZHWPPTWQLQGI-OAQYLSRUSA-N 374.444 3.972 0 40 FHAB COc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccco4)c3)cn2n1 12441257 GANIVOGAHOEDLN-UHFFFAOYSA-N 368.780 3.904 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)Nc1cccc(Cl)c1N1CCOCC1 12794110 JXLYDPCSBALDCO-AWEZNQCLSA-N 360.841 3.583 0 40 FHAB O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCCN1C(=O)c1cccs1 12873466 ODTHGAJZROHHTD-CQSZACIVSA-N 350.390 3.660 0 40 FHAB CCCn1c(SCc2ccc(C(=O)O)cc2)nc2ccccc2c1=O 13236789 SRUXFFYKLFNVCW-UHFFFAOYSA-N 354.431 3.797 0 40 FHAB COc1ccc(/C=C/C(=O)NCCCc2cccc(C)c2)c(OC)c1OC 13669682 LVVLRKMRWGHQBS-ACCUITESSA-N 369.461 3.783 0 40 FHAB COC(=O)c1ccc(NC(=S)Nc2cc(Cl)ccc2OC)cc1 13796191 DPRNSOBZLWLBSY-UHFFFAOYSA-N 350.827 3.944 0 40 FHAB CC[C@H](C)[C@H](C(=O)N(C)Cc1ccc(C(=O)NC)cc1)c1ccccc1 14226266 OQRQBQAVZYDPPO-JXFKEZNVSA-N 352.478 3.835 0 40 FHAB COc1ccccc1Oc1ccc(NC(=O)Cn2nc(C)cc2C)cc1 16303784 XUIKVRPBJYMAFQ-UHFFFAOYSA-N 351.406 3.940 0 40 FHAB COc1ccccc1-c1nnc(NC(=O)[C@H](C)Oc2ccccc2)s1 17247349 WCJSDVHSNVZOHI-LBPRGKRZSA-N 355.419 3.620 0 40 FHAB CCOc1ccc2nc(SCC(=O)N[C@H](C)c3ccccc3)[nH]c2c1 17877058 JGNDOFDKSOTVIH-CYBMUJFWSA-N 355.463 3.931 0 40 FHAB CCOC(=O)c1ccc(N/C(CC)=C2\N=C(c3ccccc3)OC2=O)cc1 18097228 IQVGAFCMPGLYHH-ZCXUNETKSA-N 364.401 3.900 0 40 FHAB C[C@H](CC(=O)N1CCCC[C@H]1CCN1CCCC1)n1cnc2ccccc21 19455283 PNNRPLQSUTUBNO-MOPGFXCFSA-N 368.525 3.854 0 40 FHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCCC[C@H]1CN(C)C 19560973 MCWYGHPIAQXAHX-INIZCTEOSA-N 361.486 3.814 0 40 FHAB C[C@@H](C(=O)N1CCN(C)CC1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 20624355 GTRQTKJYOSAIOM-CYBMUJFWSA-N 355.869 3.852 0 40 FHAB O=C1Nc2ccccc2CC[C@H]1Sc1nnc(-c2ccco2)n1C1CC1 20731593 YEIKNNHEFAGJGF-MRXNPFEDSA-N 366.446 3.919 0 40 FHAB CC(C)C[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1 22516685 QLPAYCDYLOGAGE-LJQANCHMSA-N 374.506 3.600 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCCOc1ccccc1 24199417 LWCQKJFXAUOUFY-FQEVSTJZSA-N 351.402 3.573 0 40 FHAB C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccccc1 25714382 LWAVHRZVEMHMSF-GOEBONIOSA-N 356.853 3.613 0 40 FHAB CC[C@H](Sc1nnc(NCC(C)C)s1)C(=O)NCc1ccccc1 25817317 BPMJMECCLHVHKA-AWEZNQCLSA-N 364.540 3.793 0 40 FHAB NC(=O)Nc1ccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1 25883376 APIXBXPPLCLGLH-UHFFFAOYSA-N 371.400 3.768 0 40 FHAB O=C(COc1cccc(Cl)c1)NC[C@@H](c1cccs1)N1CCCC1 27664242 PEBTYZULZMLRFW-INIZCTEOSA-N 364.898 3.734 0 40 FHAB CCCc1ccc(OCC(=O)Nc2nccs2)c(Br)c1 28232613 VNVXMNOYZYZARG-UHFFFAOYSA-N 355.257 3.876 0 40 FHAB Cc1cccc(C(=O)NCc2ccc(C(=O)N3CCCCCC3)cc2)c1 28347891 SOYWYQPSXGCDLR-UHFFFAOYSA-N 350.462 3.941 0 40 FHAB O=C(/C=C/c1ccccc1Cl)NCc1ccc(CN2CCOCC2)cc1 29882132 HVGUTWYQJGCEBT-MDZDMXLPSA-N 370.880 3.502 0 40 FHAB O=C(Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1)[C@@H]1CCCO1 30175868 VTXVWQCXLRPMAU-NAVXVDNBSA-N 368.477 3.959 0 40 FHAB Cc1ccc(/C=C/c2nc(SCC(=O)c3ccc4c(c3)OCO4)n[nH]2)o1 31802112 FMTZGUAQZTWVOG-FNORWQNLSA-N 369.402 3.580 0 40 FHAB CCN(CC)C(=O)c1ccc(Cn2nc(C)c(Br)c2C)cc1 32610998 VMPVARMYUGCQSW-UHFFFAOYSA-N 364.287 3.793 0 40 FHAB COc1ccc(NC(=O)c2cc(=O)c(OCc3ccccc3F)co2)cc1 36358600 HOACSFOWFVVODS-UHFFFAOYSA-N 369.348 3.619 0 40 FHAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cc(F)ccc1Br 36393519 ICPGFAQNAPQHKK-ABAIWWIYSA-N 358.251 3.913 0 40 FHAB NC(=O)Nc1cccc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)c1 40033826 ATXNAQSERHYAAP-UHFFFAOYSA-N 361.804 3.775 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(c2ncccc2Cl)C1 40134915 VCWXTNQGTRXWQH-ZBFHGGJFSA-N 355.869 3.929 0 40 FHAB CCOC(=O)CN(C(=O)CSc1ccccc1F)c1ccccc1F 40156942 MITDBOUHBWZGBH-UHFFFAOYSA-N 365.401 3.653 0 40 FHAB O=C(NC[C@@H]1COc2ccccc2O1)N1CCCCC[C@H]1c1ccncc1 43078241 HYUKHBVORPPCDJ-MSOLQXFVSA-N 367.449 3.548 0 40 FHAB COC(=O)c1cc2ccccc2cc1NC(=O)Cc1noc2ccccc12 44757847 YGWAZSXYVZTFFZ-UHFFFAOYSA-N 360.369 3.949 0 40 FHAB Cc1ccc(C(=O)N(C)C2CCCC2)cc1NS(=O)(=O)c1ccccc1 44842240 WKBDVCHJVGAEAW-UHFFFAOYSA-N 372.490 3.810 0 40 FHAB Cc1ccc(CNC(=O)[C@@H](C)Sc2ccc(Br)cn2)cc1 45025926 RQBJDGGVBOAVML-GFCCVEGCSA-N 365.296 3.950 0 40 FHAB COCC(=O)Nc1ccc(NC(=O)N(C)[C@@H](C)c2ccccc2F)cc1 47488532 XHNNRYHJFIOSPJ-ZDUSSCGKSA-N 359.401 3.636 0 40 FHAB CCOc1ccccc1C(=O)OCC(=O)Nc1cc(F)ccc1Cl 51356615 WJWGQLSJYRIWDG-UHFFFAOYSA-N 351.761 3.673 0 40 FHAB CCOc1ccc(C(=O)CCC(=O)Nc2ccc(NC(=O)OC)cc2)cc1 54034823 XJQZRULKIKKATQ-UHFFFAOYSA-N 370.405 3.865 0 40 FHAB CCSc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)ccn1 54078931 FHIFSFVEZWSJAB-LBPRGKRZSA-N 355.463 3.569 0 40 FHAB Cc1cc(C)n(-c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2F)n1 55716751 KBRAEBMKDXXQBC-UHFFFAOYSA-N 353.353 3.609 0 40 FHAB CC(=O)N1CCC(C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 57304219 CDSNIDFLPXYRLU-QGZVFWFLSA-N 369.292 3.915 0 40 FHAB C/C(=C\C(=O)NC1CCN(C(=O)C2CCCCC2)CC1)c1ccccc1 57392618 OUQJPRQIJUBJKQ-WUKNDPDISA-N 354.494 3.777 0 40 FHAB CN(C)C1(CNC(=O)c2cc(F)ccc2Br)CCCCCC1 57993680 CUGKZWHCEQFYAN-UHFFFAOYSA-N 371.294 3.973 0 40 FHAB CCC(=O)Nc1cccc(NC(=O)Nc2cccnc2N2CCCC2)c1C 58246082 NEUVOQWRJLWGNO-UHFFFAOYSA-N 367.453 3.983 0 40 FHAB O=C(/C=C/c1c(Cl)nc2sccn12)NCc1cc2ccccc2[nH]1 58365975 FARVAIULOULJIL-AATRIKPKSA-N 356.838 3.860 0 40 FHAB Cc1cccc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2ccccc2)c1 59502356 KJVKBFIFFKJRIM-UHFFFAOYSA-N 370.408 3.896 0 40 FHAB COc1cccc2c1OCC(=O)N(c1cccc(OC(F)(F)F)c1)C2 65184487 OQHPBQPDYSZONI-UHFFFAOYSA-N 353.296 3.519 0 40 FHAB C[C@]1(c2ccccc2)C[C@H]1Nc1nn2c(=O)cc(-c3ccccc3)nc2s1 72302132 HHWYGGJHVVACMO-DYESRHJHSA-N 374.469 3.960 0 40 FHAB CN(CCc1ccccc1)c1ncc(-c2cnccn2)c(-c2ccco2)n1 72338654 LMXRJIRGYFEPJC-UHFFFAOYSA-N 357.417 3.873 0 40 FHAB O=C(c1cscn1)N1CCC(c2nccnc2Oc2ccccc2)CC1 72362635 ZHZAGNUHOXLKQC-UHFFFAOYSA-N 366.446 3.745 0 40 FHAB O=C(C[C@@H]1C=CCC1)N1CCC(c2ccc(Nc3cnccn3)cn2)CC1 72374298 HYHRFQNPEIVENE-MRXNPFEDSA-N 363.465 3.678 0 40 FHAB CCC[C@H]1CCc2ccccc2N1S(=O)(=O)c1c(C)nn(CC)c1C 84740837 MKJAAHALOOTRJB-KRWDZBQOSA-N 361.511 3.830 0 40 FHAB CCc1noc(CC)c1CNC(=O)N(Cc1ccccc1OC)C1CC1 88623682 QMVIMJLTLRVMSG-UHFFFAOYSA-N 357.454 3.682 0 40 FHAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1snnc1C 90593233 PWWHSWOEPUPZKB-UHFFFAOYSA-N 364.883 3.862 0 40 FHAB COC(=O)[C@@H]1C[C@H](Oc2ccc3ccccc3c2)CN1C(=O)OC(C)(C)C 91297337 CGEPPFRNMQDKGV-ROUUACIJSA-N 371.433 3.770 0 40 FHAB CC(=O)Nc1cc(C(=O)O[C@H](C(=O)N2CCCC[C@H]2C)C(C)C)ccc1C 95369337 ZAZPKFDCGAVQCN-BEFAXECRSA-N 374.481 3.536 0 40 FHAB COc1cccc(CN2CCC3(CC2)CCN(C(=O)c2ccco2)CC3)c1 96047249 JQMDZTXPHORJEN-UHFFFAOYSA-N 368.477 3.807 0 40 FHAB Cc1cccc(N[C@H]2CO[C@]3(CCCN(C(=O)c4ccsc4)C3)C2)c1 96222765 ZICQXSSDAPEFJP-UYAOXDASSA-N 356.491 3.932 0 40 FHAB Cc1nc(-c2noc3ccc(C(=O)NCc4ccncc4)cc23)cs1 96266538 CVBKUJPZTGDACK-UHFFFAOYSA-N 350.403 3.585 0 40 FHAB CO[C@@](C)(CNC(=O)c1ccc2nsnc2c1)c1cccc(Cl)c1 96392503 BNVXPRHDSZSXIQ-KRWDZBQOSA-N 361.854 3.636 0 40 FHAB CC(C)c1nc2ccc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)cc2s1 103879402 SKNBJHMOHFYNME-GREKMHCPSA-N 356.447 3.881 0 40 FHAB COc1ccc(CNCC2(c3ccccc3Cl)CCOCC2)cc1O 106251558 GMZJEPAOFZNLKI-UHFFFAOYSA-N 361.869 3.892 0 40 FHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccccc1-n1ccnc1 216444410 FZGPBEOAUDQIOZ-OAQYLSRUSA-N 363.461 3.963 0 40 FHAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222710701 LTLWUIVSIQRBNV-CRAIPNDOSA-N 355.434 3.801 0 40 FHAB CCOC(=O)C1(c2ccc(NC(=O)c3ccc(OC)c(C)c3)cc2)CC1 222962275 YXSPNXDDAFVOIT-UHFFFAOYSA-N 353.418 3.851 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(CN3CCCC3)cc2)c1 223198358 VXHUOLNTCZFXJG-INIZCTEOSA-N 368.477 3.791 0 40 FHAB CCCC[C@H](CC)CNC(=O)[C@@H](CC)N(c1ccccc1)S(C)(=O)=O 224297438 HZQDZIIRRLDEIC-FUHWJXTLSA-N 368.543 3.564 0 40 FHAB CCc1ccc(OCC(=O)Nc2nnc(SCC(C)C)s2)cc1 224458005 DOEFTIQYSWNPBT-UHFFFAOYSA-N 351.497 3.866 0 40 FHAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCC1=CCCCC1 225102197 RBQARZLRUZGZKE-ZHZULCJRSA-N 364.445 3.976 0 40 FHAB CC[C@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(OC)cc1 225488453 KTXRZMIRZQVROV-INIZCTEOSA-N 358.463 3.904 0 40 FHAB COc1ccc(CNC(=S)Nc2ccc(Cl)cc2)c(OC)c1OC 225525517 ZGSNBGFURHXMOZ-UHFFFAOYSA-N 366.870 3.852 0 40 FHAB CCCO[C@@]1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCC[C@H](C)C1 225662448 WDQAWAHBXDEBPP-UWJYYQICSA-N 362.514 3.941 0 40 FHAB CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2c(C)cc(C)cc2C)c1 225968618 GIXCNRGMSMHEDM-UHFFFAOYSA-N 360.479 3.650 0 40 FHAB Cc1ccc(OCC(=O)Nc2cc(C)c(O)c(Br)c2)cc1 226243036 NLGWVJXEWQHOIT-UHFFFAOYSA-N 350.212 3.789 0 40 FHAB Cc1cccc(O[C@H]2CCN(C(=O)c3cccc(C(F)(F)F)c3)C2)n1 238824430 DKBOQAJRBQAKRB-HNNXBMFYSA-N 350.340 3.702 0 40 FHAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2cnco2)o1 257261575 LHXXHCQQRJRKTQ-INIZCTEOSA-N 367.405 3.629 0 40 FHAB O=C(c1cncs1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257276998 NWAHMNHFVAKOHJ-CQSZACIVSA-N 371.437 3.881 0 40 FHAB c1csc(CN2CC[C@@]3(C2)Cn2c(-c4cccs4)cnc2CO3)c1 306139703 TXYVAICYHNAMIS-GOSISDBHSA-N 357.504 3.848 0 40 FHAB C[C@@H]1OCC[C@]12CN(C(=O)Nc1cccnc1-c1ccccc1)C[C@@H](C)O2 333371524 ZOSBJJJRRIMVBU-XFQAVAEZSA-N 367.449 3.549 0 40 FHAB O=C(Nc1ccc(N2CCOCC2)cc1)Nc1nc2ccccc2s1 409191059 ZDZBYNDCONJHKF-UHFFFAOYSA-N 354.435 3.777 0 40 FHAB Cc1ccc2nc(C[C@H]3CN(CC(C)(C)C)CC[C@H]3CC(=O)O)[nH]c2c1 514289650 XUNHAKQKGUYQBJ-HOTGVXAUSA-N 357.498 3.873 0 40 FHAB biogenic,in-vitro C[C@H]1Oc2ccc(-c3csc(-c4cccc(C(=O)O)c4)n3)cc2NC1=O 524249907 MZRFKJYJLWFTMD-SNVBAGLBSA-N 366.398 3.895 0 40 FHAB CC1(C)CCCc2sc(NC(=O)N3CCC[C@@]3(C)CCCO)nc21 574561686 RXTPYYIHOCLVAV-SFHVURJKSA-N 351.516 3.916 0 40 FHAB CC(=O)N[C@@H]1CC[C@@H]2CN(c3cc(C(C)(C)C)nc(C(C)(C)C)n3)C[C@@H]2C1 585137583 HVJROSFNOIPHKN-IXDOHACOSA-N 372.557 3.813 0 40 FHAB COc1cc(C)nc(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)n1 605146586 HVIYBHZAMPRILU-UHFFFAOYSA-N 358.829 3.972 0 40 FHAB COc1cccc2c1[C@H](C(=O)Nc1cc(Cl)ccc1-n1cncn1)CC2 1264171597 OZGSRLXGAUGHGX-CQSZACIVSA-N 368.824 3.598 0 40 FHAB Cc1ccsc1CN1CCC[C@@]2(CC1)CC(=O)NCc1ccccc1N2 2037978096 AKXCQJZBUOUVNC-OAQYLSRUSA-N 369.534 3.913 0 40 FHAB O=C1N(c2ccccc2)CCCC[C@@]12CN(Cc1ccccc1F)CCO2 2037980612 AQFPLGXQMITPTO-JOCHJYFZSA-N 368.452 3.614 0 40 FHAB CC1(C)C[C@@H]2CN(C(=O)c3ccc(F)cn3)CC[C@@H]2N1c1cccc(F)c1 2037988434 IBKLTINMGCEGRF-KUHUBIRLSA-N 371.431 3.879 0 40 FHAB Cc1c(-c2nn3c(Cc4ccccc4)nnc3s2)cnn1-c1ccccc1 632899 URLRXXGHVINEIX-UHFFFAOYSA-N 372.457 3.938 0 40 FHAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1 802830 SQNFMRHUCZQHKP-UHFFFAOYSA-N 356.403 3.641 0 40 FHAB COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(F)cc2)C1=O 1144683 ZFXGOHGKSCGMGZ-RVDMUPIBSA-N 355.390 3.979 0 40 FHAB O=C(CCCCC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 1668673 VKIPBZQTPRVXPC-UHFFFAOYSA-N 354.358 3.770 0 40 FHAB Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1 1946624 IMFATHVIJZVAKY-LLVKDONJSA-N 372.490 3.606 0 40 FHAB COc1cc2[nH]c3c(=O)n(CCC4=CCCCC4)cnc3c2cc1OC 2129559 MFSLVZISWZMWLE-UHFFFAOYSA-N 353.422 3.786 0 40 FHAB biogenic CN1C(=O)N[C@@H](c2ccccc2)C2=C1CN(c1ccc3ccccc3c1)C2=O 2272378 MXWAWWNLVBWJKF-NRFANRHFSA-N 369.424 3.837 0 40 FHAB CCN(CC)CCNc1ncnc2c1oc1ccc(Br)cc12 2328879 AFIGDMUJDNAVKX-UHFFFAOYSA-N 363.259 3.892 0 40 FHAB NC(=O)c1c(NC(=O)c2ccc(C(F)(F)F)cc2)sc2c1CCC2 2626701 VIVJAIJTXILRKP-UHFFFAOYSA-N 354.353 3.607 0 40 FHAB COc1ccc2oc(=O)c(-c3nnc(NCc4ccco4)s3)cc2c1 2956131 FGEUBEAAGNLPJP-UHFFFAOYSA-N 355.375 3.525 0 40 FHAB O=C(COC(=O)c1ccc(F)cc1Cl)Nc1ccc(OC(F)F)cc1 3282354 WNELLHCPOFGFHL-UHFFFAOYSA-N 373.714 3.876 0 40 FHAB CC(C)c1cccc(C(C)C)c1NC(=O)CN1C(=O)NC2(CCCC2)C1=O 3319921 WYBZMLLIXIECCH-UHFFFAOYSA-N 371.481 3.737 0 40 FHAB O=C(CSc1nc(-c2ccccc2)cs1)NC(=O)NCc1ccco1 3453984 MTDSOXLMHVPFIB-UHFFFAOYSA-N 373.459 3.521 0 40 FHAB CCCCCc1ccc(C(=O)OC[C@@H]2CCCN3CCCC[C@H]23)c(=O)o1 4028787 IBTXHLUOGHLSCI-QFBILLFUSA-N 361.482 3.794 0 40 FHAB biogenic NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(Br)s1 4135069 JBSDFIQPJWQKBB-UHFFFAOYSA-N 365.208 3.608 0 40 FHAB CN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)N3)C1 4172287 YFIKUQIKOOFHRW-QGZVFWFLSA-N 355.507 3.888 0 40 FHAB Cc1ccccc1/N=c1\scc(-c2ccccc2)n1N1CCOCC1 4280268 SPFCXBZJNGKUTF-MRCUWXFGSA-N 351.475 3.726 0 40 FHAB CCc1cc2ccc(OC)cc2nc1SCC(=O)NCc1ccco1 4849396 YVVCVEXALFIIFZ-UHFFFAOYSA-N 356.447 3.807 0 40 FHAB O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1nccs1 4967182 FKKUZKFLICUGAI-UHFFFAOYSA-N 373.488 3.645 0 40 FHAB COc1ccc(Cn2cccc(NC(=O)Nc3ccc(F)cc3)c2=O)cc1 5000877 BGRCWTBCRPWRAY-UHFFFAOYSA-N 367.380 3.688 0 40 FHAB CCc1ccc(C(=O)Nc2cccn(Cc3cccc(OC)c3)c2=O)cc1 5000906 GVRNYAMDGYWHBM-UHFFFAOYSA-N 362.429 3.720 0 40 FHAB CC[C@@H](Sc1nnc(NC(=O)Nc2ccc(C)c(C)c2)s1)C(=O)O 5254012 RWUYBSBOLKYFFW-LLVKDONJSA-N 366.468 3.754 0 40 FHAB CCOc1cc(C=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 5651983 ZKXDVVWSZHFEHL-UHFFFAOYSA-N 351.761 3.708 0 40 FHAB C[C@H](OC(=O)c1ccc(Br)cc1)c1nc2ccccc2c(=O)[nH]1 5665615 UUMTWBVYJHBMNP-JTQLQIEISA-N 373.206 3.604 0 40 FHAB Cc1cc(=O)oc2cc(OCC(=O)Nc3cc(Cl)ccc3F)ccc12 6151824 HRHDEYMZVFYGCR-UHFFFAOYSA-N 361.756 3.911 0 40 FHAB CC[C@@H]1CCc2sc(C(=O)OCN3C(=O)c4ccccc4C3=O)cc2C1 6784936 UUZJUNNUGJUZDE-GFCCVEGCSA-N 369.442 3.674 0 40 FHAB O=C1CSc2ccc(C(=O)OCc3nc4ccccc4s3)cc2N1 6946516 CIVJZCGPPMDCLR-UHFFFAOYSA-N 356.428 3.698 0 40 FHAB CCOc1cc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)ccc1O 7113323 RETIPDFFUGBALG-INIZCTEOSA-N 366.339 3.920 0 40 FHAB CCOC(=O)c1c(C)oc2ncn(Cc3cccc4ccccc34)c(=O)c12 7553212 HSTTXVCPSFVZRM-UHFFFAOYSA-N 362.385 3.676 0 40 FHAB O=C(Nc1ccccc1)c1cc(Cl)ccc1OCC(=O)N1CCCC1 7778618 QVFOWJKEVQOLFZ-UHFFFAOYSA-N 358.825 3.594 0 40 FHAB COc1ccc(CNC(=O)COc2cc(C)ccc2C(C)C)cc1OC 7975922 SEZTVVLTGBWQCJ-UHFFFAOYSA-N 357.450 3.831 0 40 FHAB CN(CC(=O)NCCc1ccc(F)cc1)Cc1ccc(C(F)(F)F)cc1 8092477 NXNRGRMKQQRVEU-UHFFFAOYSA-N 368.374 3.635 0 40 FHAB CCCNC(=O)c1sc(NC(=O)Nc2ccc(Cl)cc2)nc1C 8772115 LJUGZIKXHLBDFV-UHFFFAOYSA-N 352.847 3.889 0 40 FHAB COc1ccc(-c2nnc(SCc3nccn3C(F)F)o2)c(OC)c1 8778775 QCGCDSPKEVPFNS-UHFFFAOYSA-N 368.365 3.638 0 40 FHAB COc1ccc([C@@H](CNC(=O)c2ccc(F)cc2)N2CCCCC2)cc1 8917212 WEVXFLBMPVUREB-HXUWFJFHSA-N 356.441 3.791 0 40 FHAB biogenic O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)c1c[nH]c2ccccc12 8922566 NEXFHCWAPKPBII-IBGZPJMESA-N 362.429 3.959 0 40 FHAB Cc1cc(OCC(=O)NCc2ccco2)c(C)c(C)c1Br 9190795 IZAANSCDKYWFAN-UHFFFAOYSA-N 352.228 3.663 0 40 FHAB Cc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1CC(C)C 9328469 JWZDZCPMJXFQQR-UHFFFAOYSA-N 372.416 3.992 0 40 FHAB CCc1nnc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)s1 9451086 MWGCIICOYCLFDG-UHFFFAOYSA-N 356.455 3.556 0 40 FHAB Cn1nc(-c2cccc(NC(=O)c3cccc4ccccc34)c2)ccc1=O 10324999 PSUYNVOARPJSIL-UHFFFAOYSA-N 355.397 3.853 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc2c(c1)C[C@H](C)N2C(C)=O 12204439 SBZQTVQGEUVIPN-DJJJIMSYSA-N 370.424 3.919 0 40 FHAB O=C(Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1)C1CC1 12237297 UMYNETXPGQJVRM-UHFFFAOYSA-N 367.474 3.848 0 40 FHAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(CCc3ccccc3)C2)C1 12365381 HQJVSZRXLCSHRS-HSZRJFAPSA-N 364.489 3.505 0 40 FHAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)C1 12536164 GCOKTZCWPAUSAX-IYBDPMFKSA-N 372.490 3.606 0 40 FHAB CC(C)[C@@H](Sc1nnc(C(F)(F)F)n1C)C(=O)Nc1ccccc1 12602506 HTJZBTQURZNJIW-LLVKDONJSA-N 358.389 3.589 0 40 FHAB C[C@H](Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)Nc1cccc(Cl)c1Cl 12739681 YQXDQUCYOQQJNJ-QMMMGPOBSA-N 365.220 3.602 0 40 FHAB Brc1cccc([C@@H]2C[C@H](c3ccccc3)n3nnnc3N2)c1 13123720 BIFUUINQYFIGMS-LSDHHAIUSA-N 356.227 3.582 0 40 FHAB CCCc1cc(-c2nc(N)ncc2-c2csc(C)n2)c(O)cc1OC 13126127 PTTKTHHXVWCYMQ-UHFFFAOYSA-N 356.451 3.824 0 40 FHAB CC(C)Oc1cccc(CNS(=O)(=O)Cc2cccc(Cl)c2)c1 13675650 PXSPVNMYEMLALN-UHFFFAOYSA-N 353.871 3.747 0 40 FHAB COc1cc(NC(=O)CCn2ccc3ccc(F)cc32)cc(OC)c1OC 13683500 KURGAJIVSDWGOX-UHFFFAOYSA-N 372.396 3.835 0 40 FHAB C[C@H](NC(=O)COc1ccc(F)c2c1C(=O)C[C@H]2C)c1ccc(F)cc1 14110657 XJPSRTPRAWDLCZ-NEPJUHHUSA-N 359.372 3.911 0 40 FHAB CCOc1ccccc1/C=C/C(=O)NCC(=O)Nc1c(C)cc(C)cc1C 14139653 FITRMTIIOCSIHZ-ZHACJKMWSA-N 366.461 3.779 0 40 FHAB O=C(CN[C@H]1CCCc2ccccc21)NCCc1nc2ccccc2s1 16695502 SWGMIGAAMRAOMQ-KRWDZBQOSA-N 365.502 3.622 0 40 FHAB CCc1ccccc1NC(=S)NC1CCN(C(=O)c2ccccc2)CC1 16705165 GGYLHBKFDIGJMH-UHFFFAOYSA-N 367.518 3.840 0 40 FHAB Cc1cc(-c2c[nH]nc2[C@H]2CCCN2C(=O)Cc2cccc(Cl)c2)on1 19121028 QHQDPHPEMWSJHS-MRXNPFEDSA-N 370.840 3.933 0 40 FHAB COc1cc(N[C@H](C)CCCN[C@@H]2CN3CCC2CC3)c2ncccc2c1 19364694 XZCBNFPCVYRZNI-IIBYNOLFSA-N 368.525 3.508 0 40 FHAB CC(C)c1ccc(CN2CCc3nc([C@H]4CCCNC4)ncc3C2)cc1 19453296 KKKWXRLONGCNRA-IBGZPJMESA-N 350.510 3.625 0 40 FHAB Cc1nn(C)cc1[C@H](C)NC(=O)c1c(-c2ccc(Cl)cc2)noc1C 19666722 GECJWXUFNMTESM-JTQLQIEISA-N 358.829 3.836 0 40 FHAB COc1ccc(CC(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1 20137330 YKDGWQIKTJOAAL-UHFFFAOYSA-N 351.402 3.937 0 40 FHAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)COc1ccc(Cl)cc1 20144146 JDYJXKUPZJUWGP-UHFFFAOYSA-N 370.188 3.718 0 40 FHAB COc1cc2ccccc2cc1C(=O)NCc1ccccc1-n1ccnc1 20452785 CEPVAHXLUYAEHR-UHFFFAOYSA-N 357.413 3.964 0 40 FHAB CCCCN1C(=O)[C@@H](C(=O)OCC)[C@H](C(C)C)n2c1nc1ccccc12 20638154 UEMPXKZNNQIKML-IRXDYDNUSA-N 357.454 3.559 0 40 FHAB CN(CCOc1cccc(Cl)c1)C(=O)c1cnn(-c2ccccc2)c1 21709887 ROYYMQIHMQENOW-UHFFFAOYSA-N 355.825 3.677 0 40 FHAB O=S(=O)(c1ccccc1)N(C[C@@H]1CC1(Cl)Cl)c1nccs1 22473671 KPHRCXCLLOCMPH-JTQLQIEISA-N 363.291 3.532 0 40 FHAB Cc1cc(C)cc(OCCNS(=O)(=O)c2cc(Cl)ccc2Cl)c1 22496251 UKRMPEBUIARJEG-UHFFFAOYSA-N 374.289 3.968 0 40 FHAB CCc1nc2sc([C@H](c3cccc(F)c3)N3CCCCC3)c(O)n2n1 22853055 OJRYDLHRCHRRJF-HNNXBMFYSA-N 360.458 3.773 0 40 FHAB COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(CN2CCCC2=O)cc1 25109368 XABCEXZSIVKSOR-MRXNPFEDSA-N 366.461 3.651 0 40 FHAB Cc1cccc(OCC(=O)NC[C@@H](c2cccs2)N2CCCC2)c1C 27582266 MRHTUYMPHOKXAI-KRWDZBQOSA-N 358.507 3.697 0 40 FHAB COc1ccc(C(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)c(OC)c1 28303544 DHTSMTJZOYJYLO-UHFFFAOYSA-N 357.797 3.795 0 40 FHAB O=C(NC[C@H]1CCCc2ccccc21)c1ccc(CN2CCCC2=O)cc1 29108599 UZGQIMWPDNUECV-HXUWFJFHSA-N 362.473 3.659 0 40 FHAB O=C(CNc1ccc(Cl)cc1F)NC(=O)NCCC1=CCCCC1 30288659 FLCMXDQNNPXRGQ-UHFFFAOYSA-N 353.825 3.607 0 40 FHAB CN(C)Cc1ccccc1CNS(=O)(=O)c1ccc(C(C)(C)C)cc1 30503592 OFSRNTGERMLBSO-UHFFFAOYSA-N 360.523 3.524 0 40 FHAB Cn1cnc(S(=O)(=O)N[C@@H](c2ccccc2)C2CCCCC2)c1Cl 32472508 WONCKQYIFULPCW-HNNXBMFYSA-N 367.902 3.673 0 40 FHAB CCOC(=O)c1c(C)oc2ccc(OCC(=O)Nc3ccccc3)cc12 32777876 BSMHLYPHSNAQFA-UHFFFAOYSA-N 353.374 3.935 0 40 FHAB COc1ccc([C@@H](C)NC(=O)NCc2cnn(-c3ccccc3)c2)cc1F 32795354 YDNUOYLEKUORNG-CQSZACIVSA-N 368.412 3.580 0 40 FHAB COc1ccccc1CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1 32895139 UMZHVOATNGIMFE-KRWDZBQOSA-N 355.434 3.619 0 40 FHAB Cc1cc(Br)ccc1NS(=O)(=O)c1cccnc1Cl 32905357 ZOQJJBPFPFEIPB-UHFFFAOYSA-N 361.648 3.607 0 40 FHAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)N3CCC[C@@H](O)C3)ccc21 33040242 BUICEAFQOSKHBB-DOTOQJQBSA-N 365.477 3.598 0 40 FHAB Cc1nn(C)cc1-c1nn2c(-c3cc(Cl)ccc3Cl)nnc2s1 36354516 PPDQHGNRQYZQBM-UHFFFAOYSA-N 365.249 3.869 0 40 FHAB Cc1cc(NC(=O)c2cc(C3CC3)nc3c2cnn3C)n(C2CCCC2)n1 36616106 GECBHJFYIIXAGG-UHFFFAOYSA-N 364.453 3.718 0 40 FHAB Cc1cc(C(=O)NCc2ccco2)c2c(C)nn(Cc3ccccc3)c2n1 36616744 ILBSEJSJTOVNOR-UHFFFAOYSA-N 360.417 3.619 0 40 FHAB Cc1cc(C(=O)N[C@@H](C)c2cccc(-n3cccc3)c2)c2cnn(C)c2n1 36616875 SHBPJJFDOHFQAN-HNNXBMFYSA-N 359.433 3.558 0 40 FHAB COc1cc(C(=O)Nc2cccc(N3CCCCC3=O)c2)cc(OC)c1C 40082476 WYDFZLIVQQAWTP-UHFFFAOYSA-N 368.433 3.781 0 40 FHAB C[C@@H](NC(=O)Nc1cccc(I)c1)c1ccncc1 40098292 DNUMAVLBEQNUJH-SNVBAGLBSA-N 367.190 3.569 0 40 FHAB O=C(NCc1cccc(OCC(F)(F)F)c1)C1C[C@@H]2CCC[C@H](C1)C2=O 40111886 IFZFYZPHKSLDMB-YIONKMFJSA-N 369.383 3.639 0 40 FHAB Cc1nnc(NC(=O)CCCCc2ccc(Br)cc2)s1 40129295 WWGIZZYWBXWKJS-UHFFFAOYSA-N 354.273 3.961 0 40 FHAB Cc1noc(-c2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc2)n1 49027238 DCUOEMIXJJCKKK-UHFFFAOYSA-N 363.417 3.732 0 40 FHAB CC(=O)Nc1cccc2c1CCN(C(=O)N[C@@H](C)c1sc(C)nc1C)C2 56486161 DUDRVYYJGVLVLD-LBPRGKRZSA-N 372.494 3.547 0 40 FHAB COc1ccc(Nc2n[nH]nc2C(=O)Nc2ccc(F)c(Cl)c2)cc1 57510660 KDSGCQBTARITAI-UHFFFAOYSA-N 361.764 3.602 0 40 FHAB O=C(NCCc1ccccc1F)C1CCN(CCc2cccs2)CC1 58185972 LCOQMCMWCSDJRS-UHFFFAOYSA-N 360.498 3.501 0 40 FHAB O=C(CCSc1ccc(F)cc1)Nc1ccn(CCc2ccncc2)n1 58201278 RLWMLNOJQMZQDO-UHFFFAOYSA-N 370.453 3.781 0 40 FHAB CCOc1cccc(CNC(=O)NC2CCN(CC3CCCC3)CC2)c1 58392102 CDYUKUCEKNDUPP-UHFFFAOYSA-N 359.514 3.539 0 40 FHAB O=C(/C=C/c1ccccc1)NCc1ccc(-n2cnc3ccccc32)nc1 61507756 VGOKBVRHDRRWMA-ACCUITESSA-N 354.413 3.750 0 40 FHAB O=C(NCc1cccs1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 67036337 VFRZLFAEAXQAJC-OAHLLOKOSA-N 354.834 3.824 0 40 FHAB CCc1ccc(-n2cc(C(=O)NCc3ccccc3C(F)(F)F)nn2)cc1 67262106 PDXDEXYHTJWXQJ-UHFFFAOYSA-N 374.366 3.779 0 40 FHAB CC(C)c1nnc(NC(=O)c2cn(C3CC3)c(=O)c3ccccc23)s1 71284998 HIQKHAVXRMDNQH-UHFFFAOYSA-N 354.435 3.564 0 40 FHAB O=C(c1cccc2ccccc12)N1CCc2c(cccc2N2CCOC2=O)C1 72303023 VBMWGWCPASRWPQ-UHFFFAOYSA-N 372.424 3.995 0 40 FHAB COc1ccc(CCNC(=O)c2cn(C(C)C)c(=O)c3ccccc23)cc1 72324650 ULDJQUKMJZGVTR-UHFFFAOYSA-N 364.445 3.564 0 40 FHAB biogenic Cc1nc(-c2nc[nH]n2)sc1C(=O)O[C@H](C)c1cnc2ccccc2c1 78874232 NIFDHCJRCQAPGM-LLVKDONJSA-N 365.418 3.703 0 40 FHAB CC(=O)Nc1ccc(CC(=O)Nc2ccc(Oc3cc(C)[nH]n3)cc2)cc1 79103309 AAZRVZKNZYJUKS-UHFFFAOYSA-N 364.405 3.650 0 40 FHAB O=C(Cc1cccc2ccccc12)N1CCCSC[C@@H]1CN1CCCC1 85473175 PLTCWVGHFHEZEQ-FQEVSTJZSA-N 368.546 3.812 0 40 FHAB O=C(NC[C@H]1CCCN1CC1CCCCC1)Nc1ccc2c(c1)OCO2 89807622 KMDSJCDETRZXHK-QGZVFWFLSA-N 359.470 3.582 0 40 FHAB CCOCCOCc1cccc(NC(=O)NCc2cc(Cl)ccn2)c1 92733567 KPCQRAPGQOMXGY-UHFFFAOYSA-N 363.845 3.610 0 40 FHAB O=C(N[C@@H]1CCCc2ccc(F)cc21)[C@H]1CCCCN1C(=O)c1ccco1 93062978 JQKIDYQGTNWSRQ-QZTJIDSGSA-N 370.424 3.607 0 40 FHAB Cc1cc(C)n(-c2ccc(NC(=O)CN3CCc4ccccc43)cc2F)n1 95369498 OULMAYKTEJOYRG-UHFFFAOYSA-N 364.424 3.629 0 40 FHAB Cc1nc(Cl)ccc1COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1 96010477 ZLMLIOGCOVOUNB-CQSZACIVSA-N 368.861 3.780 0 40 FHAB C[C@H]1Cc2ccc(F)cc2N(C(=O)Cn2cc(C=O)c3ccccc32)C1 98063985 TXTZWCYFLARLJB-AWEZNQCLSA-N 350.393 3.818 0 40 FHAB CCOc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3nnnn32)cc1 101088953 WSRFQQVBQCEYHZ-KRWDZBQOSA-N 353.813 3.781 0 40 FHAB O=C(O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@H]1C(=O)Nc1cccc(Cl)c1Cl 102093074 PYCJIFWLYSFSQI-FFTZXLJSSA-N 352.217 3.701 0 40 FHAB COc1cc([C@H](C)NCc2ccc3c(c2)CC(C)(C)O3)ccc1OCCO 105422693 RNLUSVFVCISYBZ-HNNXBMFYSA-N 371.477 3.631 0 40 FHAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 107567860 JRDIDRDZYAUWKC-AESZEHBQSA-N 370.522 3.857 0 40 FHAB O=C(N[C@@H]1CCN(c2nccs2)C1)c1ccc(-c2cccs2)cc1 206813099 NCHYMAOPUMXKMG-OAHLLOKOSA-N 355.488 3.880 0 40 FHAB Cc1cc(C)c(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c(C)c1 216326202 RMJGMAIRBHOWQV-UHFFFAOYSA-N 366.870 3.889 0 40 FHAB COC(=O)c1ccc(OC)c(OCc2cccc(Br)c2)c1 216849721 WKGJLHWDDWLNQB-UHFFFAOYSA-N 351.196 3.823 0 40 FHAB O=C(c1ccoc1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1 217389797 QCYMWQXCJFBTGR-UHFFFAOYSA-N 372.440 3.567 0 40 FHAB CC(C)(C)[C@@H]1C[C@@]2(C)[C@H](CCCCc3nnnn32)N1Cc1ccccc1 218904835 XGMHPACMNJGJAW-WFXMLNOXSA-N 353.514 3.804 0 40 FHAB COc1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2)cc1OC 222615561 CWWVWGDQHRIADD-UHFFFAOYSA-N 353.353 3.552 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl 223591918 IDUWCLAIGXOLJC-INIZCTEOSA-N 372.896 3.744 0 40 FHAB COC[C@@H](C)NC(=O)c1ccccc1-c1ncc(-c2cccc(OC)c2)o1 224905149 ZCAIZGWRQRBXSU-CQSZACIVSA-N 366.417 3.782 0 40 FHAB COc1cccnc1NC(=S)NCCSCc1ccccc1Cl 225297933 SHPHVQRDZBVKRX-UHFFFAOYSA-N 367.927 3.963 0 40 FHAB Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(N)cc2)c1 225312850 LMSAYSNVEOLDDN-UHFFFAOYSA-N 352.459 3.973 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)Nc2nnc(SCC(C)C)s2)c1 225778314 VOVMCUAHXYTTIY-UHFFFAOYSA-N 357.526 3.704 0 40 FHAB O=C(c1ccc(NC(=S)NCc2ccccc2F)cc1)N1CCCCC1 225836215 LIAIQELEAWBIPA-UHFFFAOYSA-N 371.481 3.938 0 40 FHAB Fc1cc(F)cc(CN2[C@H]3CC[C@H]2c2cnc(N4CCCC4)nc2C3)c1 247548124 VDEUVQSPRPMSFD-LPHOPBHVSA-N 356.420 3.617 0 40 FHAB O=C(c1ccsc1)N1Cc2cccn2[C@@H](CCOCC2CCOCC2)C1 247860629 MMCHQZOAURVCNP-IBGZPJMESA-N 374.506 3.580 0 40 FHAB Cc1cc(C)cc(OCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 253447330 OYSGVCJPKWNOCA-RMKNXTFCSA-N 364.489 3.540 0 40 FHAB Cc1cc2nc([C@@H]3CCCCN3C(=O)c3ccc(F)cc3F)ccn2n1 257260541 LDHYZFZAUIIMNT-KRWDZBQOSA-N 356.376 3.683 0 40 FHAB Cc1noc(C)c1-c1nccc([C@@H]2CCCN2C(=O)c2ccc(F)cc2)n1 257306014 SSMUYUTYPBXBQW-KRWDZBQOSA-N 366.396 3.865 0 40 FHAB Cc1cnc(C(=O)N2CCC[C@@H](Cc3cccc4cccnc34)CC2)cn1 257320713 VYEXBPTZHFJITO-QGZVFWFLSA-N 360.461 3.818 0 40 FHAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 408550465 CMVSNAOQKLMQGS-UHFFFAOYSA-N 354.815 3.709 0 40 FHAB CC(C)Cc1ccccc1CNC(=O)N[C@H]1CCC[C@H](N2CCCC2=O)C1 528043165 LPXCINDCDONUQV-PMACEKPBSA-N 371.525 3.618 0 40 FHAB COc1ccc2cc(C(=O)N3CCc4c(cnn4-c4ccccc4)C3)[nH]c2c1 530743748 HDGXFMOMRZLACS-UHFFFAOYSA-N 372.428 3.561 0 40 FHAB Cc1cnc(O)n1-c1cccc(-c2noc(-c3ccncc3Cl)n2)c1 547061808 AAJYIOVHVNVNMZ-UHFFFAOYSA-N 353.769 3.652 0 40 FHAB Cc1cc(C)n([C@@H](CNC(=O)NCc2cccs2)c2ccsc2)n1 575613328 FRIRGBXIAPPAAP-INIZCTEOSA-N 360.508 3.712 0 40 FHAB O=C1CC[C@@H](C(=O)NCc2cc(Cl)ccc2OC(F)F)n2cccc21 583474656 OZYCWDAWLDDXON-ZDUSSCGKSA-N 368.767 3.577 0 40 FHAB CCC(C)(C)N1CCN(C(=O)Nc2cnn(CC(C)C)c2C(F)F)CC1 585090849 QTQWRJIXDMIEMQ-UHFFFAOYSA-N 371.476 3.815 0 40 FHAB Cn1ccnc1C(=O)c1cccc(NC(=O)CCCCCn2cccc2)c1 604419269 CWIYAFRAXJWDRF-UHFFFAOYSA-N 364.449 3.652 0 40 FHAB CO[C@@H](C(=O)N(c1ccc(F)c(Cl)c1)c1nccs1)[C@@H]1CCOC1 622835056 GXBDOAYUZMRSLK-QMTHXVAHSA-N 370.833 3.652 0 40 FHAB O=C(O)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)[C@H]2CCCC[C@H]21 659194668 NCGGKPHGJDZWNS-FQKPHLNHSA-N 361.404 3.847 0 40 FHAB CC1=CC(C)(C)N2C(=O)[C@](O)([C@@H]3CC[C@@H](C)CC3=O)c3cc(C)cc1c32 1740816384 BRGARNQFWTWYJT-JJJFATQHSA-N 353.462 3.730 0 40 FHAB CN(C)c1cccc(C(=O)NC[C@@H](O)c2ccc(-c3cccs3)cc2)c1 1775976976 FJTPHLMNKZNXGM-LJQANCHMSA-N 366.486 3.945 0 40 FHAB O=C1CO[C@H]2CCN(Cc3ccccc3Cl)C[C@@H]2CN1c1ccccc1 2037984295 WQJCTEMNAFPBRN-XLIONFOSSA-N 370.880 3.594 0 40 FHAB O=C(Cc1ccccc1F)Nc1ccc(I)cc1 682383 OJZCWZGPZPOZSF-UHFFFAOYSA-N 355.150 3.612 0 40 FHAB COc1ccc(C(=O)c2ccccc2)c(OCC(=O)NC2CCCCC2)c1 717297 BCXNCPIMQOIFEF-UHFFFAOYSA-N 367.445 3.754 0 40 FHAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)c1 806722 CRWPLGLKZNHWEN-INIZCTEOSA-N 352.434 3.774 0 40 FHAB O=C(Nc1cc(Cl)ccc1O)[C@@H]1CC(c2c(F)cccc2Cl)=NO1 814836 LZHZADXYDXVUAV-AWEZNQCLSA-N 369.179 3.970 0 40 FHAB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2O)o1 852455 XGMGKKOSSDVZEW-LBPRGKRZSA-N 355.419 3.870 0 40 FHAB CCOC(=O)C1=C(C)Nc2nc(-c3ccco3)nn2[C@@H]1c1cccc(C)c1 955242 VKGPEFODQRSNTG-QGZVFWFLSA-N 364.405 3.699 0 40 FHAB Cc1cc(I)cnc1NC(=O)c1ccc(Cl)cc1 1383772 YHKQLRRQRKKGEP-UHFFFAOYSA-N 372.593 3.900 0 40 FHAB CCN(CC)CCOC(=O)[C@@](O)(c1ccccc1)c1cc(C)cc(C)c1C 1710836 LZTODCAWQQAYNA-HSZRJFAPSA-N 369.505 3.733 0 40 FHAB O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)NCc1ccccc1 2633907 BTTCGEUBRIABRY-UHFFFAOYSA-N 359.425 3.756 0 40 FHAB COCCn1c(C)cc(C(=O)COC(=O)c2cccc3ccccc23)c1C 3438359 BPUJOIVUXYWQLV-UHFFFAOYSA-N 365.429 3.944 0 40 FHAB Clc1ccc(CSc2nnc(Cn3nnc4ccccc43)o2)cc1 4130191 HJKPPRDTWOEVLP-UHFFFAOYSA-N 357.826 3.808 0 40 FHAB CCOC(=O)c1cc(NCc2ccc(C)cc2)ccc1N1CCOCC1 4705464 URLXKXCKWOOHNN-UHFFFAOYSA-N 354.450 3.620 0 40 FHAB COc1cc(SC)ccc1C(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 4803373 CSNRVDFVKCIHGP-XJKCOSOUSA-N 365.495 3.515 0 40 FHAB O=C(O)CCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 5133479 ZZNFMIOOMQXHGZ-UHFFFAOYSA-N 374.245 3.811 0 40 FHAB O=C(Nc1ccc(F)c(F)c1)c1cccn(Cc2ccccc2F)c1=O 5270401 ZJKCXLVMEDWQON-UHFFFAOYSA-N 358.319 3.566 0 40 FHAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1ccc2ccccc2n1 5627533 VFIIZFBSPODKGO-IBGZPJMESA-N 364.470 3.643 0 40 FHAB Cc1nnc(SCC(=O)N[C@H](C)c2cccs2)n1-c1ccccc1 6109213 WOPAIBSYQSEHHT-GFCCVEGCSA-N 358.492 3.607 0 40 FHAB COc1ccc(OC)c([C@@H]2c3cc4c(cc3O[C@@](C)(OC)[C@@H]2C)OCO4)c1 6201534 ZTEKYRBIKZVOMH-WFGDNEMVSA-N 372.417 3.956 0 40 FHAB CCOC(=O)Cc1csc(NC(=O)c2cc(Cl)sc2Cl)n1 6326400 VMUHVEGUBUVPCF-UHFFFAOYSA-N 365.263 3.869 0 40 FHAB CCc1ccccc1NC(=O)[C@H]1CS[C@@]2(c3cccs3)CCC(=O)N12 6787893 SWAYUSVEXOSIDF-DNVCBOLYSA-N 372.515 3.840 0 40 FHAB COc1cc(CNC(C)(C)CO)ccc1OCc1c(F)cccc1Cl 6883141 VSOHCBXXBQVTEZ-UHFFFAOYSA-N 367.848 3.927 0 40 FHAB Cc1ccc(-n2c(C)nnc2SCC(=O)c2ccc3c(c2)OCO3)cc1 6912526 IMZYMKOLFDWBTA-UHFFFAOYSA-N 367.430 3.588 0 40 FHAB Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(F)c(F)c1 7052684 CYOZWHPRKMYHBM-UHFFFAOYSA-N 362.195 3.837 0 40 FHAB O=C(Nc1ccc(F)c(F)c1)C1CCN(C(=O)c2cccs2)CC1 7135618 FKAGRVFFAWYVGX-UHFFFAOYSA-N 350.390 3.517 0 40 FHAB COc1ccc(C(=O)CN(C2=NCCCC2)c2ccc(OC)cc2)cc1 7275415 JIMTVZUXBURDCU-UHFFFAOYSA-N 352.434 3.976 0 40 FHAB C[C@@H](CNS(=O)(=O)c1ccc(Br)s1)c1ccccc1 7309655 DNJORIQEWHEAFT-JTQLQIEISA-N 360.298 3.593 0 40 FHAB Cc1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(F)c3)c2)c(C)c1 7573841 CATKAFMCGJKJLC-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB C[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1F 8095086 KDUQLAFXQGIRSB-ZDUSSCGKSA-N 358.388 3.512 0 40 FHAB Cc1ccc(C(=O)OCc2ccc(I)cc2)cc1 8372253 IPRLBLBRLJVSKK-UHFFFAOYSA-N 352.171 3.957 0 40 FHAB CC(C)C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 8516885 STARBLMLXOFHJA-QGZVFWFLSA-N 361.463 3.524 0 40 FHAB Cc1nc2scc(C)n2c(=O)c1NC(=O)c1cccc(C(F)(F)F)c1 8931724 JMTUYMCPIPRKKM-UHFFFAOYSA-N 367.352 3.644 0 40 FHAB CCOc1ccc(CC(=O)OCC(=O)Nc2c(C)cccc2CC)cc1 9033086 LABRWXOVAWHQJH-UHFFFAOYSA-N 355.434 3.681 0 40 FHAB O=S1(=O)N=C(SCc2ccccc2F)Nc2ccc(Cl)cc21 9762027 ZVBYYXSJVAOVTK-UHFFFAOYSA-N 356.831 3.883 0 40 FHAB COc1cc(NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)cc(OC)c1 11052625 WOHLIZKUGNPNAH-ZDUSSCGKSA-N 369.417 3.720 0 40 FHAB CCC(CC)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 11496520 ZINUHGAPXFWOMB-UHFFFAOYSA-N 364.442 3.545 0 40 FHAB O=C(N[C@@H](Cc1ccccc1)c1n[nH]c2ncccc12)c1ccccc1F 12088221 CIFGWAGODFXECT-SFHVURJKSA-N 360.392 3.811 0 40 FHAB Cc1cc2nc([C@@H]3CCCN(CC[C@H](C)c4ccccc4)C3)cc(N)n2n1 12185929 UVGASQWPSILMPX-QFBILLFUSA-N 363.509 3.993 0 40 FHAB Cc1cc(Br)ccc1SCC(=O)NCc1cccnc1 12554498 XNBPFLQZZFICQS-UHFFFAOYSA-N 351.269 3.561 0 40 FHAB Cc1[nH]c(=S)sc1CC(=O)NCc1ccccc1OC(F)(F)F 12794098 BCPPRAUJMLYIDC-UHFFFAOYSA-N 362.398 3.872 0 40 FHAB CCc1cccc(C)c1NC(=O)CCCN(c1ccccc1)S(C)(=O)=O 13847385 PLUPSCGPQPYTLK-UHFFFAOYSA-N 374.506 3.742 0 40 FHAB CNC(=O)c1ccc(CN(C)C(=O)Cc2ccc(Cl)c(Cl)c2)cc1 14227219 CDGMVAZKTDLJBU-UHFFFAOYSA-N 365.260 3.554 0 40 FHAB O=C(C[C@@H]1C=CCC1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 14633229 DPXCOJLHFXGAQD-MRXNPFEDSA-N 362.495 3.546 0 40 FHAB COc1ccc(NC(=O)Cc2nc(-c3ccccc3)oc2C)c(OC)c1 14898891 ZRPIDELAFZPHEE-UHFFFAOYSA-N 352.390 3.848 0 40 FHAB COc1ccc(OCC(=O)NCc2csc(-c3ccc(C)cc3)n2)cc1 15832502 HFICDYMOZYKLJH-UHFFFAOYSA-N 368.458 3.822 0 40 FHAB Cc1ccc2nc3c(cc2c1)CCN3S(=O)(=O)c1ccc(F)c(C)c1 15841885 SFYZMXOVJILYHS-UHFFFAOYSA-N 356.422 3.742 0 40 FHAB COc1ccc2c(C)c(CCC(=O)Nc3ccc(C)cc3)c(=O)oc2c1 16467937 TWFNDHWUDKJNQN-UHFFFAOYSA-N 351.402 3.990 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1C 16489863 VDYFCSWCHGNNPB-UHFFFAOYSA-N 370.236 3.950 0 40 FHAB O=C(C[C@H](O)c1ccccc1C(=O)O)c1ccc(Br)s1 16740831 ZAFPKMZHSFNFLY-JTQLQIEISA-N 355.209 3.515 0 40 FHAB CCOc1cc([C@H]2NC(=O)c3c(sc4c3CC[C@@H](C)C4)N2)ccc1O 17086090 TWHVGKKCNNLKPP-QGHHPUGFSA-N 358.463 3.831 0 40 FHAB COc1ccccc1OCCNC(=O)COc1ccc(C(C)(C)C)cc1 18075410 JNKMBJIWKXZSIW-UHFFFAOYSA-N 357.450 3.567 0 40 FHAB C[C@@H](CSc1nnc(-c2ccncc2)n1-c1ccccc1)CN(C)C 18196134 QZEAZYITNYMPKI-OAHLLOKOSA-N 353.495 3.619 0 40 FHAB CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccccn2)C1 19081978 JZQPUGTZEMYQPR-PXNSSMCTSA-N 366.509 3.592 0 40 FHAB O=c1cc([C@H]2CCCCN2Cc2cccs2)nc(-c2ccncc2)[nH]1 19343482 OCLWFEXEIUTSCV-QGZVFWFLSA-N 352.463 3.621 0 40 FHAB COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2nc(C(C)C)cs2)CC1=O 19715165 HZCPUNOGEMNEOZ-ZDUSSCGKSA-N 373.478 3.575 0 40 FHAB O=c1[nH]c(=S)n(-c2ccc(F)cc2)c2c1CN(C1CCCCC1)CN2 20479198 NNUWUSVUIRFIPP-UHFFFAOYSA-N 360.458 3.552 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2nc(CN3CCCCC3)cs2)c1C 22289064 IVNMRHHPPSJNBU-UHFFFAOYSA-N 360.483 3.529 0 40 FHAB O=C(CN1C(=O)CSc2ccccc21)Nc1ccc(Cl)cc1F 22871834 IXTUAJGAWQFVBL-UHFFFAOYSA-N 350.802 3.557 0 40 FHAB O=c1cc(CN2CCc3sccc3[C@H]2c2ccccc2)nc2ccccn12 23039912 WLSFXSUDEHUPFG-JOCHJYFZSA-N 373.481 3.904 0 40 FHAB O=C(Cc1csc(-c2ccccc2)n1)Nc1cccnc1-n1cccn1 23171136 RMIOKBQXSMPUMK-UHFFFAOYSA-N 361.430 3.572 0 40 FHAB O=C(CCNC(=O)c1ccccc1Cl)Nc1cnc2ccccc2c1 23353147 LAUULGBIDNMJPS-UHFFFAOYSA-N 353.809 3.647 0 40 FHAB C[C@H](NC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1F 24953992 MJMPYSYIMRNTNY-LSDHHAIUSA-N 367.428 3.870 0 40 FHAB C[C@@H](OC(=O)c1cn(C)c2ccccc12)C(=O)Nc1cccc2ncccc12 26738062 AVQJQJCNKUNJIG-CQSZACIVSA-N 373.412 3.911 0 40 FHAB CS(=O)(=O)Nc1cccc(NC(=O)c2ccc(OC3CCCC3)cc2)c1 29024586 BSSSOTKOOLVINW-UHFFFAOYSA-N 374.462 3.632 0 40 FHAB COC(=O)c1cc(NC(=O)c2cccc(N3CCCC3=O)c2)ccc1Cl 31057133 MRXGAQMQOZFKCP-UHFFFAOYSA-N 372.808 3.506 0 40 FHAB Cc1ccc(-c2nc(C)c(C(=O)Nc3cnc4c(c3)c(C)nn4C)s2)o1 31275993 SETRBZZUOMXSFD-UHFFFAOYSA-N 367.434 3.862 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1nnc2ccccn12 31500734 XFQVEFZRRRKEKI-GOSISDBHSA-N 359.433 3.507 0 40 FHAB COC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C(C)(C)C)cc1 32870651 UMPGCQMRZJMPSY-UHFFFAOYSA-N 361.463 3.596 0 40 FHAB O=c1ccn(-c2cccc(F)c2)nc1-c1nc(-c2cccc(Cl)c2)no1 33300449 IYFGQXVGDKEPSK-UHFFFAOYSA-N 368.755 3.742 0 40 FHAB Cc1ccc(C2=NC3(CCN(Cc4ccccc4Cl)CC3)NC2=O)cc1 35430847 QUPFZIJJGPKKQP-UHFFFAOYSA-N 367.880 3.560 0 40 FHAB Cc1cc(C(=O)N[C@H](C)c2cccc(-n3cccc3)c2)c2cnn(C)c2n1 36616876 SHBPJJFDOHFQAN-OAHLLOKOSA-N 359.433 3.558 0 40 FHAB CCS(=O)(=O)c1ccc(NC(=O)CCOc2cc(C)cc(C)c2)cc1 36730107 MPTYQIGYAMPPRG-UHFFFAOYSA-N 361.463 3.505 0 40 FHAB O=C(NCCc1ccccc1)NCC1CCN(Cc2cccs2)CC1 38489607 GBPYJBIVSKKJSN-UHFFFAOYSA-N 357.523 3.502 0 40 FHAB COc1ccc(CNC(=O)CCCOc2ccc(Cl)cc2)cc1OC 38754836 DXXNEYLLYYMATR-UHFFFAOYSA-N 363.841 3.833 0 40 FHAB Cc1cc(C)cc(NC(=O)C[C@@H]2C(=O)N(C3CC3)c3nc4ccccc4n32)c1 39964140 RESLLQDWJAGCOD-LJQANCHMSA-N 374.444 3.732 0 40 FHAB Cc1ccc(C)c(NC(=O)[C@H](C)Sc2nc3nc(C)c(C)c(C)n3n2)c1 40119198 OBZNMODMMNODBO-HNNXBMFYSA-N 369.494 3.786 0 40 FHAB O=C(Nc1nncs1)c1cc2ccccc2n1Cc1ccccc1F 40141679 YGGIXJOFUOBCLP-UHFFFAOYSA-N 352.394 3.933 0 40 FHAB CSc1nc(C)c(CCC(=O)N(Cc2ccc(C)o2)C2CC2)c(C)n1 40145566 DXIKTXWQCREGNR-UHFFFAOYSA-N 359.495 3.841 0 40 FHAB Cc1noc(C)c1CN(C)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 42132898 FGRGMPZAWRXITA-UHFFFAOYSA-N 370.280 3.689 0 40 FHAB O=C(Nc1cc(Cl)ccc1Cl)N1CCN(c2nccs2)CC1 43154752 XXXIZCVLNCGLIF-UHFFFAOYSA-N 357.266 3.804 0 40 FHAB O=C(NC[C@@H]1CCCc2ccccc21)Nc1nnc(-c2ccccn2)s1 47791099 WSMMMFGRMLCXSI-AWEZNQCLSA-N 365.462 3.842 0 40 FHAB C[C@@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1ccncc1 48265034 FBUYFHIVBGGOFA-GFCCVEGCSA-N 356.813 3.595 0 40 FHAB C[C@H](Nc1ccc2c(c1)OCCCO2)C(=O)N[C@H](C)CCc1ccccc1 48362468 UIUFTDUBVZZFJY-SJORKVTESA-N 368.477 3.786 0 40 FHAB COc1cccc([C@H](C)NC(=O)c2ccc(-n3nc(C)c(C)c3C)nc2)c1 49407443 PTHSRMZUSMGVSU-HNNXBMFYSA-N 364.449 3.692 0 40 FHAB Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)Nc1ccc2cc[nH]c2c1 49550788 MAHVKJZPBFJVEY-UHFFFAOYSA-N 373.412 3.698 0 40 FHAB CCc1ccc(CNC(=O)c2nnn(-c3ccc(Cl)cc3)c2C)cc1 51318084 TZOWQDUNWAEWOB-UHFFFAOYSA-N 354.841 3.722 0 40 FHAB COc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 51364449 MAHWFIYWGOUTNA-GOSISDBHSA-N 360.413 3.854 0 40 FHAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Cl)cc1 52537382 PMGJICCLPUXXRS-UHFFFAOYSA-N 364.276 3.754 0 40 FHAB Cc1cc(NC(=O)CN(C)[C@H](c2ccccc2)c2ccc(F)cc2)no1 55102539 GKQYENRVNCCSMM-HXUWFJFHSA-N 353.397 3.782 0 40 FHAB O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc2ccccc2oc1=O 55944320 SZPGSQXFOOMULQ-OALUTQOASA-N 367.376 3.582 0 40 FHAB CCOc1cc(-c2ccccc2)sc1C(=O)NCCC(=O)N[C@H](C)CC 58174593 XYUTUAAFAALXDM-CQSZACIVSA-N 374.506 3.848 0 40 FHAB CC(C)[C@H](OC[C@H]1CCCO1)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 58419457 GRECIFYPVYKRFI-ABAIWWIYSA-N 361.269 3.734 0 40 FHAB CN(Cc1nnc2ccccn12)C(=O)/C=C/c1cc(Cl)ccc1Cl 58442132 LDADAHUAFNHWHV-VMPITWQZSA-N 361.232 3.708 0 40 FHAB C[C@@H](NC(=O)c1cn(C)nc1-c1cccnc1)C12CC3CC(CC(C3)C1)C2 65495527 ZNYZTXDDWDTUAC-XSXQVXRUSA-N 364.493 3.817 0 40 FHAB C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2cnc3ccccc3c2)CC1=O 66338931 HFXGLVHLXGSXOB-CRAIPNDOSA-N 359.429 3.783 0 40 FHAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)N1CCC[C@H]1C1CCCCC1 66402269 RPMDHPQPUGLRHK-AWEZNQCLSA-N 357.376 3.970 0 40 FHAB CC(C)C(=O)Nc1ccc(NC(=O)Cc2ccccc2C(=O)O)cc1Cl 71289126 ZYENFYSYDQNJGP-UHFFFAOYSA-N 374.824 3.814 0 40 FHAB Cc1cccc(-c2cncc([C@@H]3CCCN(C(=O)Cc4ccncc4)C3)n2)c1 72359583 GKBHVAFZPJUPGF-HXUWFJFHSA-N 372.472 3.796 0 40 FHAB Cn1c(Cl)cnc1CNc1ccc(Cl)cc1C(=O)N1CCCC1 75103417 FPEZDUGOVOXLBB-UHFFFAOYSA-N 353.253 3.575 0 40 FHAB CC(=O)Nc1ccc(CC(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)cc1 75106051 PKQKSNDIAIYPCY-LRTDBIEQSA-N 354.425 3.766 0 40 FHAB O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2)[C@H]1CC=CCC1 75170413 BFCXWQAXAPJLIX-RDJZCZTQSA-N 354.450 3.759 0 40 FHAB CN(C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccc(C(N)=O)cc1 79243390 XGUILFHXPAYUFG-GJZGRUSLSA-N 362.351 3.571 0 40 FHAB CC[C@H](C)N(CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)[C@H](C)CC 95996018 KMCKFRVZEATJEA-XHSDSOJGSA-N 350.503 3.780 0 40 FHAB COc1ccc(CN2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)cc1 96048744 VPVSLOVRFGSBBG-FQEVSTJZSA-N 356.491 3.776 0 40 FHAB Cc1ccccc1CC(=O)NC1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 98212605 IXKFZAFHMAVATG-UHFFFAOYSA-N 374.488 3.713 0 40 FHAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1nc(-c3ccccc3)cs1)OC2=O 100261106 HZIUJVMXEIFRTD-RTBURBONSA-N 356.447 3.871 0 40 FHAB COc1ccc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2cccc(OC)c2)C3)cc1 100766732 QGRPGBNUSPWUCE-WOJBJXKFSA-N 367.489 3.824 0 40 FHAB Brc1ccc(C2=C[C@H](c3cccs3)n3nnnc3N2)cc1 101051247 ADQUTZQMBNGMSZ-GFCCVEGCSA-N 360.240 3.553 0 40 FHAB O=C1C[C@H](N(O)c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 101127822 OSPPXKCTEICBAA-AWEZNQCLSA-N 351.189 3.521 0 40 FHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)CCc1nc2ccccc2s1 102218975 DAYBGRBVWYPODG-QLFBSQMISA-N 374.506 3.713 0 40 FHAB CC(C)COc1ncccc1C(=O)NC1CCN(c2ccccc2)CC1 103073807 GFRANSPMMAWBKK-UHFFFAOYSA-N 353.466 3.515 0 40 FHAB CCc1ncc2c(n1)CN([C@@H](C(=O)Nc1ccccc1)c1ccccc1)CC2 106374411 JOTSOGMCSJIGJY-JOCHJYFZSA-N 372.472 3.777 0 40 FHAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1OC)c1ccc(OC)c(OC)c1 219504698 MCQVNBIAVRJSCO-HOCLYGCPSA-N 373.449 3.747 0 40 FHAB CCN(c1ccc(C(=O)Nc2ccccc2Cl)cc1)S(=O)(=O)CC 222389925 QWFURICXBNKYPD-UHFFFAOYSA-N 366.870 3.768 0 40 FHAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1 223747167 GDISJFZYEDQYLE-ROUUACIJSA-N 350.447 3.595 0 40 FHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCOc1cccc(C)c1C 223932593 LXOPVVXZVAPDAO-IBGZPJMESA-N 357.450 3.665 0 40 FHAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CC 224064731 QVMCBKQNYBJZIW-NRFANRHFSA-N 366.505 3.871 0 40 FHAB COC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 224447751 JNVJZRZEYGVSBM-AWEZNQCLSA-N 353.418 3.758 0 40 FHAB CCc1ccc(OCCNC(=O)CCc2nc3cc(C)ccc3o2)cc1 224947452 DJURJIBFXLYLDQ-UHFFFAOYSA-N 352.434 3.826 0 40 FHAB COc1ccc(NC(=O)Cn2ccc(=O)c3cc(C)ccc32)cc1Cl 225745753 QBAJDOQMFOINOB-UHFFFAOYSA-N 356.809 3.611 0 40 FHAB Cc1cccc(-c2nc3sc(=Cc4ccc(C(C)C)cc4)c(=O)n3n2)c1 254517025 NDNFIRNXQVZNER-UHFFFAOYSA-N 361.470 3.798 0 40 FHAB O=C(Cc1cccs1)N1CCC[C@H]1c1ccc(CN2CCCC2)cn1 257206653 BEKFLCVDJIFDIE-IBGZPJMESA-N 355.507 3.645 0 40 FHAB Cc1cccc(Nc2nccnc2[C@H]2CCCN2C(=O)c2cccc(C)n2)n1 257254299 KCNCZSZVQDNASI-QGZVFWFLSA-N 374.448 3.604 0 40 FHAB C[C@@]1(c2ncc(Cc3ccccc3F)o2)CCCN(Cc2cnccn2)C1 257288905 PWDYDRDACASADI-OAQYLSRUSA-N 366.440 3.748 0 40 FHAB CC(=O)N[C@@H]1C[C@H](c2ccc(OC3CCCC3)cc2)OC2(CCOCC2)C1 257292989 QNSDCNNJJOLNRC-WIYYLYMNSA-N 373.493 3.913 0 40 FHAB O=C(c1ccoc1)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 390827436 XQOLBVHXXOHDBZ-UHFFFAOYSA-N 350.422 3.623 0 40 FHAB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C 408993303 WCISRXGDNWFVFE-LJQANCHMSA-N 365.433 3.772 0 40 FHAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@H](C)[C@@H]3CCCOC3)c12 541874016 VAJYQPYPUNOYSR-CZUORRHYSA-N 365.433 3.743 0 40 FHAB O=C(COc1ccc(Cl)cc1)N1CCC(Oc2ccsc2)CC1 575620458 UJEIAAZNAOXNLA-UHFFFAOYSA-N 351.855 3.850 0 40 FHAB Cc1noc(C)c1CN1CCC[C@]2(CCCN2C(=O)c2ccoc2)CC1 585100245 IVNXTJOCBLVYSQ-FQEVSTJZSA-N 357.454 3.545 0 40 FHAB O=C(NC(c1ccccc1)c1ccccc1)N1CC(OCC(F)(F)F)C1 585365650 OPSXFRYMXMUWAK-UHFFFAOYSA-N 364.367 3.749 0 40 FHAB CO[C@@H](C(=O)Nc1ccc(F)cc1Nc1ccccc1F)[C@H]1CCOC1 613419221 KLSRXARUSWIZDR-KPZWWZAWSA-N 362.376 3.698 0 40 FHAB Cc1nccc(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)n1 1615158061 PYEHKPKADMMZDD-OAQYLSRUSA-N 368.456 3.588 0 40 FHAB Fc1ccccc1CN1CC[C@@H](Oc2ccncc2Br)C1 1888860499 PBDFCSPISPSSFI-CYBMUJFWSA-N 351.219 3.637 0 40 FHAB Cc1cccc2sc(N3CCN(c4nc(C5CC5)ns4)CC3)nc12 1888897159 WDFBUOVAIRTITD-UHFFFAOYSA-N 357.508 3.660 0 40 FHAB Clc1cnccc1OCC1CCN(c2ncnc3c2CCCC3)CC1 1889108478 RXJRRAVRAASDDW-UHFFFAOYSA-N 358.873 3.699 0 40 FHAB Cc1cc(Nc2nccs2)nc([C@H]2CCCN(Cc3cccnc3)C2)n1 2037835921 KMANMFVEQVKTGU-INIZCTEOSA-N 366.494 3.760 0 40 FHAB O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)Nc1ccccc1F 888852 UAUJYDMHBFHPOD-UHFFFAOYSA-N 371.372 3.515 0 40 FHAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2ccccc2c1=O 905588 FTERFJOHPIAAKY-UHFFFAOYSA-N 373.865 3.801 0 40 FHAB Cc1cc2ccccc2n2c(SCC(=O)N3CCC[C@H](C)C3)nnc12 1223192 WQAFUWPWKRBQKU-ZDUSSCGKSA-N 354.479 3.542 0 40 FHAB COc1ccc(OCC(=O)Nc2ncc(Cc3ccccc3)s2)cc1 848401 CHRUBACZBJLHEV-UHFFFAOYSA-N 354.431 3.760 0 40 FHAB COc1ccc(OC)c(NC(=O)CN(Cc2ccccc2)C(C)(C)C)c1 79065297 SDOPCEBBIQXCML-UHFFFAOYSA-N 356.466 3.943 0 40 FHAB CCCCC[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)C(=O)OC 79024746 HMWZNYCPLZWNMM-INIZCTEOSA-N 358.438 3.512 0 40 FHAB O=C(CN1CCC[C@H](O)C1)N1c2ccccc2Sc2ccc(Cl)cc21 3096842 LHACSUDPUPBKCV-AWEZNQCLSA-N 374.893 3.926 0 40 FHAB c1ccc([C@@H]2c3ccsc3CCN2Cc2nnnn2-c2ccccc2)cc1 23967639 IBJOMJLVOZJGDH-OAQYLSRUSA-N 373.485 3.872 0 40 FHAB CC(C)(C)OC(=O)N1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1 4699267 KPXDGTVQVRSALB-UHFFFAOYSA-N 366.889 3.646 0 40 FHAB CC(C)OCCCNC(=O)CSCc1ccccc1Br 6345015 NGIYHUHFNWBTLM-UHFFFAOYSA-N 360.317 3.614 0 40 FHAB COc1ccc(/C=C/C(=O)NC23CC4CC(CC(C4)C2)C3)c(OC)c1OC 6646296 ZDKBUQUWHGTCPO-FNORWQNLSA-N 371.477 3.811 0 40 FHAB Cc1ccccc1CCNC(=O)CNc1cccc(NC(=O)C(C)(C)C)c1 24361790 LWISUKPDDJEMQB-UHFFFAOYSA-N 367.493 3.750 0 40 FHAB COC(=O)c1ccc2c(c1)[C@@H]1C[C@@](C)(O2)N(c2ccc(F)c(F)c2)C(=O)N1 101085190 MEGJUGDQKGEKAD-HNAYVOBHSA-N 374.343 3.521 0 40 FHAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)[C@H]1CCC[C@H](C(F)(F)F)C1 106110627 WSQPDURRNZVUOI-JYJNAYRXSA-N 354.416 3.998 0 40 FHAB COC(=O)[C@@H]1CC(=O)N(c2ccc3oc(-c4cccc(Cl)c4)nc3c2)C1 57327309 QFODOGRHMFWSPP-GFCCVEGCSA-N 370.792 3.674 0 40 FHAB COC(=O)c1cccc(C(=O)N(C)C(c2ccccc2)c2ccccc2)n1 56454981 UCXLOMLUTBDUNY-UHFFFAOYSA-N 360.413 3.730 0 40 FHAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCC[C@H]3C[C@H]4CC[C@H]3C4)c12 107334504 BXAQCEYRUGQHBK-BPUTZDHNSA-N 352.482 3.710 0 40 FHAB Cc1nn2c(nc(Sc3nnnn3C(C)C)c3ccccc32)c1Cl 12614986 VNGUEOLMVVIDEJ-UHFFFAOYSA-N 359.846 3.563 0 40 FHAB COc1ccccc1CNC(=O)Nc1c2c(nn1-c1ccccc1)CCC2 43854340 CRSCPKOWIKIXHD-UHFFFAOYSA-N 362.433 3.691 0 40 FHAB CCc1noc(C)c1C(=O)Nc1cc(F)ccc1Sc1nccn1C 58155267 RVNGPGOEUKRPOD-UHFFFAOYSA-N 360.414 3.822 0 40 FHAB O=C(O)CCC(=O)N1N=C(c2ccsc2)C[C@H]1c1ccccc1Cl 58161662 QXNJXKAHOSCRHU-HNNXBMFYSA-N 362.838 3.944 0 40 FHAB C[C@H]1CCCN(CCCNC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C1 58229018 IFIWSWYHHHQMII-ZDUSSCGKSA-N 374.451 3.509 0 40 FHAB O=S(=O)(Nc1ccc(N2CCCC2)c(F)c1)c1ccc2c(c1)CCC2 59362181 KQVSLDZJFXQKRI-UHFFFAOYSA-N 360.454 3.715 0 40 FHAB C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 58381705 SBXYPNPRCOQFAX-PBHICJAKSA-N 372.440 3.507 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c(C)c1 10628924 CTKSWHQCZRESBQ-KRWDZBQOSA-N 355.463 3.706 0 40 FHAB CC(=O)Nc1ccc(N[C@@H](C(=O)NC2CC2)c2ccccc2)cc1Cl 10945172 MXLUTLVKHWXGIN-GOSISDBHSA-N 357.841 3.730 0 40 FHAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)Cc2c[nH]c3ccccc23)c1 48361495 GEXBONIAANRQHM-OAHLLOKOSA-N 363.461 3.555 0 40 FHAB CCN1C(=O)[C@@H](C(=O)Nc2cccc(C)c2)[C@@H]2C[C@]1(C)Oc1ccccc12 100632512 ONJDWDQDFWVAMC-JUXOCIIHSA-N 364.445 3.694 0 40 FHAB Cc1nnc(S[C@H](C)C(=O)Nc2ccccc2F)n1-c1ccccc1 3409768 NNQLHHMGMPSFOK-GFCCVEGCSA-N 356.426 3.834 0 40 FHAB CC(=O)Nc1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 3488932 PDGFQGVBJNWAQI-UHFFFAOYSA-N 374.440 3.930 0 40 FHAB CCc1nc2ccccc2c(C(=O)OCC(=O)N2CCc3ccccc32)c1C 3464682 UQUFUWTVNQSNRL-UHFFFAOYSA-N 374.440 3.852 0 40 FHAB O=C1CCC[C@H]1Sc1nnc(-c2ccncc2)n1-c1ccc(F)cc1 3431342 ZPPDMZMZAOAWAL-MRXNPFEDSA-N 354.410 3.682 0 40 FHAB CC(C)c1csc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)n1 12947013 NIJPWTSEWMGRAH-GFCCVEGCSA-N 363.508 3.819 0 40 FHAB CSCC[C@@H](CO)NC(=O)c1sc(-c2ccccc2Cl)nc1C 13683764 SFGLPTHFKJNENX-NSHDSACASA-N 370.927 3.616 0 40 FHAB Cc1cc(C(=O)CSc2ncn[nH]2)c(C)n1CCc1ccc(F)cc1 6060576 FRUWQRZVOXSRJL-UHFFFAOYSA-N 358.442 3.580 0 40 FHAB C[C@H](Sc1nc(-c2cccs2)n[nH]1)c1nc2ccccc2c(=O)[nH]1 6035553 WBYCJFULBRJXJY-VIFPVBQESA-N 355.448 3.623 0 40 FHAB Cc1cc(C)c(NC(=O)Cn2nnc(-c3cccc(Cl)c3)n2)c(C)c1 5088616 XSUWUUULINBBER-UHFFFAOYSA-N 355.829 3.557 0 40 FHAB O=C1CCCN1CCCNc1nc(-c2ccsc2)nc2ccccc12 14129668 PAZAXVCDHNDJPB-UHFFFAOYSA-N 352.463 3.783 0 40 FHAB O=C(Nc1ccccc1N1CCCC1=O)c1ccccc1Br 14190528 WJGJAIMDBHXTRB-UHFFFAOYSA-N 359.223 3.828 0 40 FHAB C[C@@H]1CCc2nc(NC(=O)c3ccc4c(c3)NC(=O)CS4)sc2C1 6590665 OXNWAZDIRYJZRX-SECBINFHSA-N 359.476 3.564 0 40 FHAB c1cc(N2CCCC2)ccc1Nc1nnc(-c2ccc3c(c2)OCO3)o1 9365189 TVLVJPVECRLPCR-UHFFFAOYSA-N 350.378 3.809 0 40 FHAB CC(=O)Nc1ccc(C(=O)[C@@H](C)Oc2c(F)c(F)cc(F)c2F)cc1 9388532 OLKDRQBKDWFFLR-MRVPVSSYSA-N 355.287 3.852 0 40 FHAB CCCn1nccc1C(=O)Nc1cnn(Cc2ccc(F)cc2Cl)c1 28241009 BTAUSMBUBHJHCD-UHFFFAOYSA-N 361.808 3.583 0 40 FHAB O=C(NCc1cccs1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 15681553 KVTJDRUZITWAIV-UHFFFAOYSA-N 366.421 3.794 0 40 FHAB O=C(CCc1nc2ccccc2s1)Nc1ccc(N2CCCC2=O)cc1 7640128 VTGXETKQBZPWAW-UHFFFAOYSA-N 365.458 3.994 0 40 FHAB O=C1c2cccn2[C@@H]2CN(Cc3ccsc3)C[C@@H]2N1Cc1cccs1 306143883 YPPCMBWZNMQADV-MSOLQXFVSA-N 369.515 3.693 0 40 FHAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1 20418393 WGPQCRAEMCIKJU-UHFFFAOYSA-N 366.442 3.874 0 40 FHAB COc1ccc(Cc2nnc3sc(COc4ccccc4C)nn23)cc1 8392948 MJNVUGSZQBHSQF-UHFFFAOYSA-N 366.446 3.673 0 40 FHAB COC(=O)c1c(NC(=O)C2CC2)sc2c1-c1ccc(OC)cc1CC2 17073777 PPHRMYIXXYYQSP-UHFFFAOYSA-N 357.431 3.657 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)C2=Cc3cc(Cl)ccc3OC2)cc1 8518112 OMROGQMCHKLLIE-CYBMUJFWSA-N 371.820 3.995 0 40 FHAB CCOc1ccccc1Nc1nc(=O)c(Cc2ccccc2Cl)n[nH]1 8578425 NATKOCPBFXUMJI-UHFFFAOYSA-N 356.813 3.551 0 40 FHAB C[C@@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)N[C@@H]1CCCc2ccccc21 18365867 GCIKEZXAOHSNFU-IUODEOHRSA-N 368.462 3.739 0 40 FHAB C[S@](=O)Cc1cccc(C(=O)NCCc2ccc(Cl)cc2Cl)c1 9996156 DTYJDDUVAIXLSU-HSZRJFAPSA-N 370.301 3.844 0 40 FHAB CC(C)c1ccc(CCC(=O)N(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1 76022058 RBAIBUWTFGHYFM-RBUKOAKNSA-N 365.539 3.557 0 40 FHAB C[C@H](NCc1ccc(OCC(N)=O)cc1)c1ccc(Cl)c(Cl)c1 28305021 JJLDTVHRWIZORM-NSHDSACASA-N 353.249 3.708 0 40 FHAB Cc1ccccc1NC(=O)CSCc1cc(=O)n2cc(Cl)ccc2n1 33026793 MVQJSRMGHDPEMQ-UHFFFAOYSA-N 373.865 3.528 0 40 FHAB C[C@@H]1c2cccn2CCN1S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 515208278 DHIUCHIFDYIGCW-OAHLLOKOSA-N 364.470 3.825 0 40 FHAB CCOc1ccccc1CNC(=O)C1CCN(c2ccc(C)cc2)CC1 219863008 XAZOUZXUERLHHA-UHFFFAOYSA-N 352.478 3.927 0 40 FHAB COc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1Cl 30288891 GHUFWNBRLDRNKB-ZDUSSCGKSA-N 353.871 3.648 0 40 FHAB Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2cccnc2)no1 35682803 RTYYWGABIGWPLX-UHFFFAOYSA-N 360.826 3.824 0 40 FHAB Cc1nc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)sc1C 36359619 CFPHTASIWGBHKW-UHFFFAOYSA-N 356.403 3.544 0 40 FHAB Cc1ccc(OCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 39755760 GPGYWABJHUQPDL-UHFFFAOYSA-N 370.468 3.541 0 40 FHAB CC[C@@H](C)[C@H](CO)NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 36575448 FPZROPSTXSNIAG-ABAIWWIYSA-N 352.887 3.529 0 40 FHAB O=C(c1ccncc1)N1CCC(c2nccnc2Oc2ccccc2)CC1 72362107 CQXGIQRLVQQEIG-UHFFFAOYSA-N 360.417 3.684 0 40 FHAB CC1CCN(C(=O)COc2ccccc2-c2noc(-c3ccco3)n2)CC1 33325227 ZCWSYEMSKDCWEC-UHFFFAOYSA-N 367.405 3.634 0 40 FHAB O=C(O[C@@H](C(=O)NCCc1ccccc1)c1ccc(F)cc1)c1ccco1 35289442 BTNSYBGWHMJLRI-LJQANCHMSA-N 367.376 3.676 0 40 FHAB COc1cccc(OCCNC(=O)COc2cc(C)ccc2C(C)C)c1 43771268 OWIFIZBKTUFRDW-UHFFFAOYSA-N 357.450 3.701 0 40 FHAB COc1ccc(OCc2ncc(C(=O)O)c(Nc3ccccc3)n2)cc1 49469718 WETMKBJXGLTTNA-UHFFFAOYSA-N 351.362 3.506 0 40 FHAB C[C@@H]1CCN(C(=O)C(Cc2ccccc2)Cc2ccccc2)C[C@H]1C(=O)O 567048695 NSBKWTLTOLANMI-DYESRHJHSA-N 365.473 3.657 0 40 FHAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 222444186 HOIZHOUXSOJGOO-KRWDZBQOSA-N 370.518 3.559 0 40 FHAB Cc1ccc2c(c1)nnn2S(=O)(=O)c1ccc(Cl)c2ccccc12 41095956 LMZQRZFOXODXSS-UHFFFAOYSA-N 357.822 3.783 0 40 FHAB COC(=O)c1cc(NC(=O)[C@@](C)(CC(C)C)OC)ccc1OCC(C)C 225792622 IJFKZNSXBCXPJR-HXUWFJFHSA-N 365.470 3.898 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCc2ccccc21 40015938 LVGIWUXYBVVNQP-RTBURBONSA-N 370.880 3.898 0 40 FHAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCC2)cc1 225688497 SXBNWNDLHCJSKR-OAQYLSRUSA-N 362.514 3.941 0 40 FHAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222710504 AMTPBFOEUDIQSY-WBVHZDCISA-N 355.434 3.801 0 40 FHAB CCCCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1C(=O)OC 225783502 HTBXFMLZBJTBQC-UHFFFAOYSA-N 368.644 3.961 0 40 FHAB CC(C)c1ccc([C@@H](C)NC(=O)CCn2cnc3ccccc3c2=O)cc1 46577350 IKELJJAATGYBIU-MRXNPFEDSA-N 363.461 3.787 0 40 FHAB COc1ccc(C(=O)Nc2c(C)cc3nc(N)sc3c2C)cc1OC 45889885 FFPHOXVPSXAQKY-UHFFFAOYSA-N 357.435 3.765 0 40 FHAB COc1ccc2cc(C(=O)N[C@@H](C)c3ccc(Cl)cc3)c(=O)oc2c1 226043591 NVEURMXFTRKGMO-NSHDSACASA-N 357.793 3.946 0 40 FHAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)N[C@H](C)C(C)C 225204516 OWVGEEGEIQWKAQ-OAHLLOKOSA-N 360.479 3.570 0 40 FHAB O=C([C@H]1CC2(CCN(Cc3ccco3)CC2)c2ccccc21)N1CCCC1 96079325 OVDHDDKJTQOJLP-FQEVSTJZSA-N 364.489 3.923 0 40 FHAB O=C(NC1CC1)c1cc(-c2cn(Cc3ccccc3)cn2)n2ccccc12 96088197 JGWHXCYHMZCXDE-UHFFFAOYSA-N 356.429 3.743 0 40 FHAB COc1ccccc1CN(CCO)c1nc(C(F)F)nc2ccccc12 97596032 LXBDVRXAAYDYNV-UHFFFAOYSA-N 359.376 3.575 0 40 FHAB COC(=O)c1c(C(F)(F)F)nc2ccc(F)cc2c1Br 96171869 GDACVFNNODMWSS-UHFFFAOYSA-N 352.081 3.942 0 40 FHAB OC[C@H]1CN(c2nccc(Oc3ccccc3)n2)CC[C@H]1c1ccccc1 585082746 WZLAJYULMKIEPT-QUCCMNQESA-N 361.445 3.871 0 40 FHAB COC[C@H]1CN(Cc2cccs2)CC12CCN(Cc1cccnc1)CC2 247888581 SJFJZXCSPLNLBZ-LJQANCHMSA-N 371.550 3.504 0 40 FHAB CCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCC[C@H]2C)n1 260742684 YBNUVCZVRKENIL-CQSZACIVSA-N 371.510 3.954 0 40 FHAB Cc1cccc(C)c1[C@@H]1CCCN1C(=O)NCc1cccnc1N(C)C 660341429 WXUXOCDSAGAYAI-SFHVURJKSA-N 352.482 3.811 0 40 FHAB O=S1(=O)[C@@H](c2ccccc2)CCN1Cc1cc(F)ccc1OC(F)F 664042119 WIKOMYZJQFEJJA-MRXNPFEDSA-N 371.380 3.704 0 40 FHAB CO[C@@H]1C[C@H](N(C)C(=O)Nc2cc(Br)cnc2C)C12CCC2 653582823 KNZYGHVYOGLNHU-UONOGXRCSA-N 368.275 3.574 0 40 FHAB O[C@@]1(COc2ccc(Cl)cc2)COCCN(C2CCCCCC2)C1 585283560 RXACQCZGONYTSJ-LJQANCHMSA-N 353.890 3.505 0 40 FHAB c1ccc(CN2C[C@@H](c3nc(-c4ccsc4)no3)[C@@]3(CCOC3)C2)cc1 685942152 FGQCMTOVLJGTGR-PXNSSMCTSA-N 367.474 3.804 0 40 FHAB O=C(NCCCCOc1ccc(F)cc1)Nc1ccc(N2CCCC2)nc1 48086339 ZHRQEPMXFRKRQT-UHFFFAOYSA-N 372.444 3.802 0 40 FHAB CC(C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(CC(=O)N(C)C)cc1 56171412 ZPWDDWKLNFHPEA-MRXNPFEDSA-N 367.493 3.880 0 40 FHAB Cc1ccc2nc(CN3CCC[C@H]3c3ccccc3Cl)cc(=O)n2c1 53272846 LPWSPEIMXCYFOW-SFHVURJKSA-N 353.853 3.993 0 40 FHAB CCCN(C(=O)c1cnn(-c2ccccn2)c1C)[C@@H]1CCc2ccccc2C1 56351920 MQYRGIYENKQCOB-HXUWFJFHSA-N 374.488 3.985 0 40 FHAB C[C@H]1CCCCN1[C@H](C(=O)N[C@H](C)Cc1ccccn1)c1ccccc1 19496319 SUAITDBMAAHHOH-LQWHRVPQSA-N 351.494 3.745 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(O)cc2)N1Cc1ccco1 5215718 PXQKRRCPYNCRLD-LJQANCHMSA-N 373.364 3.837 0 40 FHAB FC(F)(F)c1cccc(N2CN(Cc3ccccc3)CNC2=S)c1 12376431 BWPCCIRONFZHCH-UHFFFAOYSA-N 351.397 3.817 0 40 FHAB Cc1ccc(-c2csc(NC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)n2)cc1 12932864 JKXZOEDDVLWJNK-KDOFPFPSSA-N 373.503 3.511 0 40 FHAB COc1cccc(NC(=O)COc2cc3ccccc3cc2C(=O)O)c1 13049732 YVINXWPDGQQHCL-UHFFFAOYSA-N 351.358 3.564 0 40 FHAB CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc(C)c(C)c3)ccc21 13584000 VTCUMHKMZQWUIN-UHFFFAOYSA-N 372.490 3.658 0 40 FHAB Cc1ccc(NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 14401535 XQGFBIFHDJCLBV-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB CCCc1nn(CC(=O)Nc2ccc(C)cc2C)c(=S)n1-n1cccc1 16777245 HWXAIKTWDUNWBI-UHFFFAOYSA-N 369.494 3.735 0 40 FHAB COCc1nc2ccccc2n1C[C@H](O)COc1cc(C)c(Cl)c(C)c1 16903753 NRBNOAAFCUBIQX-HNNXBMFYSA-N 374.868 3.893 0 40 FHAB COc1ccc(-c2cc(C(=O)NCC(C)(C)c3ccccc3F)n[nH]2)cc1 19660041 QJZIEYLWUGXRDL-UHFFFAOYSA-N 367.424 3.932 0 40 FHAB Cc1nc(C2CCN(C(=O)c3cc(C(F)(F)F)n[nH]3)CC2)sc1C 655189291 GAADQLROBRYMGE-UHFFFAOYSA-N 358.389 3.522 0 40 FHAB CCCNC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1 3319255 AOUKMFHUAALUPG-UHFFFAOYSA-N 360.460 3.708 0 40 FHAB FC(F)(F)c1cccc(CN2CCC[C@H](COc3ncccn3)C2)c1 1888863712 ZQMHLGRHRUKGDH-HNNXBMFYSA-N 351.372 3.786 0 40 FHAB O=C(CCc1ccccc1)N1CCN(c2nc3ccc(F)cc3s2)CC1 4583458 AWDIQJRBHSNBOT-UHFFFAOYSA-N 369.465 3.717 0 40 FHAB Cc1ccc(Cn2cccc(C(=O)Nc3ccc(F)c(F)c3)c2=O)cc1 5270178 KPAWETLLRLFJKA-UHFFFAOYSA-N 354.356 3.736 0 40 FHAB O=C(Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2)c1ccc(Cl)cc1 9037586 XOKFNNGAPPIMNP-UHFFFAOYSA-N 354.837 3.887 0 40 FHAB C[C@]1(C(=O)N2CCC3(CC2)CO[C@H](COc2ccccn2)C3)CC=CCC1 2055750599 JBDUGWSBZAHTDB-RXVVDRJESA-N 370.493 3.605 0 40 FHAB O=C(c1c(F)cccc1F)N1CC(n2c(C3CC3)nc3ccccc32)C1 1775970412 LVNAUZJWKXLNOL-UHFFFAOYSA-N 353.372 3.889 0 40 FHAB CCn1/c(=N/C(=O)c2ccccc2F)sc2c(OC)ccc(OC)c21 100909016 FDSWQKGVWFBCTP-ZZEZOPTASA-N 360.410 3.620 0 40 FHAB O=C(NCc1ccc(-c2cccnc2)nc1)NC12CC3CC(CC(C3)C1)C2 225766257 YXMQXUFGHLIJSL-UHFFFAOYSA-N 362.477 3.912 0 40 FHAB Cc1nccc(O[C@@H]2CCN(C(=O)Cc3ccc(SC(C)C)cc3)C2)n1 585147083 DWFHSNUZVGNTFZ-QGZVFWFLSA-N 371.506 3.508 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCN=C2SCc2cc(C)ccc2C)cc1 2711621 AWSYJYGNHSJBRA-UHFFFAOYSA-N 374.531 3.906 0 40 FHAB COc1ccc(-c2noc(-c3cc4ccc(OC)cc4oc3=O)n2)cc1 6816414 RBBBKIXKJQQETH-UHFFFAOYSA-N 350.330 3.527 0 40 FHAB Cc1ccc(S(=O)(=O)C2(C(=O)NCCC(C)C)CCCC2)cc1C 40020154 ZGSPALJMACHLQF-UHFFFAOYSA-N 351.512 3.552 0 40 FHAB CCOc1cc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)ccc1Cl 31904018 LDIWXCDPZVQCGN-UHFFFAOYSA-N 364.854 3.942 0 40 FHAB CCc1nnc(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)s1 21289453 PTYQLVSHUDCDBX-UHFFFAOYSA-N 362.436 3.568 0 40 FHAB C[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1cc2ccccc2o1 32740939 BGBOQHZXAAEKRK-CYBMUJFWSA-N 362.385 3.577 0 40 FHAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 32869261 VYQGDCPCRJYZTO-LBPRGKRZSA-N 358.825 3.638 0 40 FHAB O=C1COc2cc(NC(=O)c3cc(Cl)ccc3F)c(Cl)cc2N1 32818697 QQYGBTOZQLLKNM-UHFFFAOYSA-N 355.152 3.716 0 40 FHAB CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(C(C)(C)C)cc2)NC(=S)N1 702284 NGNGHUBBBULGMU-KRWDZBQOSA-N 360.523 3.976 0 40 FHAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)NCc3ccccc3)n2C)cc1 898484 VQYHMMINORBFML-HNNXBMFYSA-N 366.490 3.588 0 40 FHAB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Nc1ccc(F)c(Cl)c1)C(=O)C2 947877 GVZMQDRHSHYFNZ-QLJPJBMISA-N 359.850 3.616 0 40 FHAB COc1cc(OC)cc(C(=O)NC(=S)Nc2cccc3ccccc23)c1 977624 JICGAABLOWGDCK-UHFFFAOYSA-N 366.442 3.984 0 40 FHAB COc1ccc(-c2nn3c(-c4cccc(C)c4)nnc3s2)cc1OC 1018212 ZDLRMJYTQKYKCA-UHFFFAOYSA-N 352.419 3.845 0 40 FHAB S=C(SCc1cc(Cl)cc2c1OCOC2)N1CCSCC1 1048922 RRGVLFNBDFONQD-UHFFFAOYSA-N 361.941 3.773 0 40 FHAB CCCC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cs1 1366192 NPYMGISFQSGRBY-UHFFFAOYSA-N 355.463 3.848 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1 1411800 ZWIOAXOPDCKNQD-UHFFFAOYSA-N 366.373 3.801 0 40 FHAB Cc1ccc(N2C(=O)N[C@@](c3ccc(F)cc3)(C(F)(F)F)C2=O)cc1 2192459 UAMNYSQQBCRUFR-MRXNPFEDSA-N 352.287 3.648 0 40 FHAB Cc1sc(C(=O)Nc2ccccc2)c(N)c1C(=O)NCc1ccccc1 2277588 CCDHNYLYRQBJED-UHFFFAOYSA-N 365.458 3.821 0 40 FHAB COCCCNc1nc(SC)nc2sc3c(c12)CC(C)(C)OC3 2431615 AEFQAPRMOGWBEZ-UHFFFAOYSA-N 353.513 3.713 0 40 FHAB COc1ccc(C(=O)COC(=O)c2cc3ccccc3cc2O)cc1OC 2654967 XSSDCWPFVDBAPS-UHFFFAOYSA-N 366.369 3.602 0 40 FHAB COC(=O)c1cc(CSc2nnc(-c3ccc(F)cc3)n2C)oc1C 3385292 DXAKTWBATRVOEU-UHFFFAOYSA-N 361.398 3.602 0 40 FHAB CC(=O)N[C@H](CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 3403054 NMSZHGNIQXCDFC-MRXNPFEDSA-N 350.340 3.911 0 40 FHAB C[C@H](OC(=O)c1ccc(CO)cc1)C(=O)Nc1ccc(Cl)cc1Cl 3418632 BNGMOIQGFWOQBH-JTQLQIEISA-N 368.216 3.670 0 40 FHAB CN(C)[C@@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1 3419918 IDHDXRSZKFTLQW-KRWDZBQOSA-N 350.384 3.667 0 40 FHAB CCn1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1-c1cccs1 3421510 NASAWSQRLSAAQN-UHFFFAOYSA-N 373.459 3.730 0 40 FHAB CCCCN1C(=O)c2ccc(C(=O)Oc3ccc(C(C)=O)cc3)cc2C1=O 3561982 HOJPWEKPAXVMJP-UHFFFAOYSA-N 365.385 3.505 0 40 FHAB Cc1ccc(-n2nc3c(c2NC(=O)COc2ccccc2)CSC3)cc1 3893243 AWZXMBBYLVAARH-UHFFFAOYSA-N 365.458 3.945 0 40 FHAB C[C@H](OC(=O)c1ccccc1OCc1ccc(Cl)cc1)C(=O)NC1CC1 4978209 IWBRZUOHMUQUEW-ZDUSSCGKSA-N 373.836 3.743 0 40 FHAB Cc1ccc(C)c(OCCC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c1 5245956 DBRGUMVDIQUFLB-KRWDZBQOSA-N 364.449 3.530 0 40 FHAB CCn1c(=O)c(C(=O)Nc2cccc(C(F)(F)F)c2)cc2cccnc21 5304030 BIGXOJLYBZHBJC-UHFFFAOYSA-N 361.323 3.688 0 40 FHAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccc(OC(F)(F)F)cc1 5688447 VUAHTJNSBHXDLQ-LBPRGKRZSA-N 350.340 3.975 0 40 FHAB Cc1ccc(-n2cnnc2SCC(=O)N2[C@@H](C)CCC[C@@H]2C)c(C)c1 6106782 LBNLEOASFNVOBQ-HOTGVXAUSA-N 358.511 3.766 0 40 FHAB Cc1cccc(-n2ccc(=O)c(C(=O)Nc3cccc(Cl)c3C)n2)c1 6747754 YCDUDUPEGKUYFJ-UHFFFAOYSA-N 353.809 3.755 0 40 FHAB C[C@@H](Sc1nnc(C(F)(F)F)n1C)C(=O)c1c[nH]c2ccccc12 7197870 OHDQRMYYSZEFBM-MRVPVSSYSA-N 354.357 3.679 0 40 FHAB Cc1ccc(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1F 7698950 SSNZZTJFTKZFEF-UHFFFAOYSA-N 354.381 3.730 0 40 FHAB CCS(=O)(=O)c1ccccc1C(=O)OCC(=O)c1ccc(C(C)C)cc1 7742832 XRFNZDOLDYOTKR-UHFFFAOYSA-N 374.458 3.643 0 40 FHAB CCOc1ccc(/C=C/C(=O)Oc2ccc(-c3nnco3)cc2)cc1OC 7779878 YZDWGTSRUGZRSC-VZUCSPMQSA-N 366.373 3.763 0 40 FHAB COc1ccc(OCCNC(=O)c2cc(C3CC3)nc3ccccc23)cc1 7815850 KCGBNPOEKMGVRH-UHFFFAOYSA-N 362.429 3.930 0 40 FHAB CCCCCn1nc(C(=O)N2CCc3ccccc32)c2ccccc2c1=O 7967009 MTKZQTSMYXEQAY-UHFFFAOYSA-N 361.445 3.790 0 40 FHAB CCc1n[nH]c(=S)n1NCc1cccc(OCc2ccccc2F)c1 8339363 ATENHKOBOMIYQN-UHFFFAOYSA-N 358.442 3.965 0 40 FHAB CC[C@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccc(Br)cc1 9477011 DAUPVQAHILKCDT-ZDUSSCGKSA-N 359.227 3.602 0 40 FHAB NC(=O)[C@@H](Sc1nccn1-c1cccc(Cl)c1)c1ccc(F)cc1 10271484 VBKMXCZXDMMLMK-HNNXBMFYSA-N 361.829 3.984 0 40 FHAB O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1)c1cc(C2CC2)on1 12145637 JHJURRAORQEERF-INIZCTEOSA-N 366.396 3.684 0 40 FHAB Cc1nn([C@H](C)CC(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c(C)c1C 12192932 PCRSQEGFVVKPSV-CYBMUJFWSA-N 369.444 3.782 0 40 FHAB Cc1cc2oc(Br)c(CC(=O)N3CCOCC3)c2cc1Cl 12446795 FSYSHKJCSCQLQY-UHFFFAOYSA-N 372.646 3.558 0 40 FHAB Cc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc(C)c1O 12555566 LKHZNMQPAYRRRQ-JXFKEZNVSA-N 352.434 3.755 0 40 FHAB O=C(COc1ccccc1Cl)N1CCC[C@H]1c1nc2ccccc2[nH]1 12577047 LEAPPPSCUOOJHN-INIZCTEOSA-N 355.825 3.959 0 40 FHAB CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nc2ccsc2c1=O 12908279 HEZWIEAIBMKBNC-LLVKDONJSA-N 359.476 3.597 0 40 FHAB O=C(COc1cccc2ccccc12)N1CCN(Cc2ccsc2)CC1 12980997 WOTYLEDISVDKTB-UHFFFAOYSA-N 366.486 3.625 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1C 14229425 KAGXIHZFZFGNKR-UHFFFAOYSA-N 352.434 3.569 0 40 FHAB COc1ccccc1OCCNC(=O)COc1ccc(Cl)cc1Cl 14869037 YRXPGHIWJVOJKY-UHFFFAOYSA-N 370.232 3.576 0 40 FHAB COc1cc(OC)c(OC)cc1CNC(=O)/C=C/c1ccc([C@H]2C[C@H]2C)o1 16234317 HOFJWHMTNJXKFT-PSYXSKQDSA-N 371.433 3.758 0 40 FHAB O=C(Cn1cnc2c(sc3ccccc32)c1=O)Nc1ccc(Cl)cc1 17201088 HEPHDUPGZSZAPH-UHFFFAOYSA-N 369.833 3.903 0 40 FHAB COc1ccccc1-c1cc(NC(=O)[C@H](C)Oc2cccc(F)c2)n(C)n1 19080507 XMPJWZIBXLHTKL-ZDUSSCGKSA-N 369.396 3.641 0 40 FHAB Fc1cccc(CN2[C@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)c1F 19292684 MLWKHMSFEJGEQD-KBXCAEBGSA-N 356.420 3.617 0 40 FHAB Cc1ccc2c(C(=O)CN3CCN(Cc4ccccc4)CC3)c(C)[nH]c2c1 19372538 NDKFHKBXDWZSOC-UHFFFAOYSA-N 361.489 3.785 0 40 FHAB Cc1nn(C)cc1[C@H](C)NC(=O)c1cc(-c2ccccn2)nc2ccccc12 19666529 IPBUEOMRQZGZND-AWEZNQCLSA-N 371.444 3.830 0 40 FHAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)c2cnn(C)c2)n1 19691321 XACUSQLYSRPCFU-HXUWFJFHSA-N 364.424 3.907 0 40 FHAB Fc1ccc(OCCc2cc([C@H]3CCCN3Cc3ccncc3)n[nH]2)cc1 19703670 YXRFRZWUCQRZAG-OAQYLSRUSA-N 366.440 3.902 0 40 FHAB COc1cccc(Nc2nc(C)c3ncn(-c4cccc(OC)c4)c3n2)c1 20059036 AOEBWLBPWZYQTC-UHFFFAOYSA-N 361.405 3.885 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)Cc2ccc(OC)cc2OC)cc1 21623409 PRPHCAMOCMQDFJ-IBGZPJMESA-N 355.434 3.619 0 40 FHAB O=C(c1ccco1)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 21687432 PPORZNXILONKAH-UHFFFAOYSA-N 371.437 3.500 0 40 FHAB Cc1ccccc1Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O 22767906 VYWKJLQPXDYNIN-UHFFFAOYSA-N 356.429 3.816 0 40 FHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC[C@@H]1CCCO1 23190002 ZMPHFXQPMVZYGU-NSHDSACASA-N 352.793 3.741 0 40 FHAB COC(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1 24831182 ZHNOPOOBVNUMTN-ZDUSSCGKSA-N 373.430 3.601 0 40 FHAB Cc1cc(/C=C/C(=O)N2C[C@H](C)O[C@H](C)C2)c(C)n1-c1ccnn1C(C)C 25464263 FGDCQJBEUYVHER-COCHJFRFSA-N 370.497 3.521 0 40 FHAB Cc1ccc(OCC(=O)NC[C@H](c2cccs2)N2CCCCC2)cc1 27580129 SLHZIFTXWPWAHB-GOSISDBHSA-N 358.507 3.779 0 40 FHAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1cc(C(F)(F)F)ccc1F 27974339 UOELEYMHXMWKDE-VIFPVBQESA-N 371.286 3.979 0 40 FHAB Cc1nn(C)c(C)c1C(=O)Nc1ccn(Cc2cccc3ccccc23)n1 28237364 AGSJSWVORKXRKF-UHFFFAOYSA-N 359.433 3.687 0 40 FHAB CC(C)OC(=O)c1ccc(NC(=O)CN(C)[C@@H]2CCc3ccccc32)cc1 29485785 LZVCSOPGJCELQM-HXUWFJFHSA-N 366.461 3.810 0 40 FHAB COc1ccc2c(c1)CCCN2C(=O)CN1CC=C(c2ccccc2)CC1 30633860 XAKNZXRHKHBBQA-UHFFFAOYSA-N 362.473 3.764 0 40 FHAB COc1cccc(N2CCN([C@H](C)c3nnc(-c4ccccc4)o3)CC2)c1 30963842 PJAGNKDAKJWYPM-MRXNPFEDSA-N 364.449 3.628 0 40 FHAB Cc1ccc(OCCNC(=O)CCSc2ccc(F)c(F)c2)cc1 32744497 UOELILNCNQCLQT-UHFFFAOYSA-N 351.418 3.951 0 40 FHAB CC(=O)Nc1nc(CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)cs1 32751495 WNCOPFOXVAAHHL-INIZCTEOSA-N 373.478 3.600 0 40 FHAB O=C(Nc1ccccc1NS(=O)(=O)c1cccs1)c1cccs1 37111696 GBCRXDQXUXKHEH-UHFFFAOYSA-N 364.473 3.863 0 40 FHAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1ccc(-n2cccn2)cc1 40087151 CCRDGJJESBEABM-UHFFFAOYSA-N 361.430 3.973 0 40 FHAB CC(C)(C)c1csc(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)n1 40129449 NRCGEEKRDNSZGC-UHFFFAOYSA-N 370.478 3.558 0 40 FHAB Cc1occc(=O)c1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 40266975 HUTAWLWCSPIAEL-UHFFFAOYSA-N 361.703 3.638 0 40 FHAB CCOc1ccc(C(=O)Nc2cccc(C(=O)OC)c2C)cc1OCC 44625135 VYEZWMRFQVAODK-UHFFFAOYSA-N 357.406 3.831 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)c(Cl)c1 44886442 ZITMXCDXHFFTJM-UHFFFAOYSA-N 363.797 3.786 0 40 FHAB CSc1cc(C(=O)N[C@@H]2CCOc3ccccc32)ccc1NC(C)=O 44888090 XZCIXGQSEYTDIZ-OAHLLOKOSA-N 356.447 3.621 0 40 FHAB Cc1cccc(N2CCN(Cn3nc4n(c3=S)CCCCC4)CC2)c1C 57383488 MZPCQMLAZYSPOG-UHFFFAOYSA-N 371.554 3.537 0 40 FHAB COc1cccc(Oc2ccc(CNc3ccc4nccnc4n3)cn2)c1 58222641 LGUBVHUAUHUVEV-UHFFFAOYSA-N 359.389 3.833 0 40 FHAB O=C(NCC1(c2ccccc2)CCC1)[C@@H]1CC(c2cccc(F)c2)=NO1 58423289 QRVSNJLXBHPUSW-IBGZPJMESA-N 352.409 3.557 0 40 FHAB Cc1cc(NS(=O)(=O)/C=C/c2ccccc2)n(-c2ccccc2F)n1 66253878 MBJDDEQQWFHEJQ-VAWYXSNFSA-N 357.410 3.732 0 40 FHAB CC(=O)Cc1nsc(NC(=O)c2ccc(-c3cccc(Cl)c3)n2C)n1 67299908 SSGLAXAUQKRQBL-UHFFFAOYSA-N 374.853 3.581 0 40 FHAB O=C(Cn1ccc2ccc(F)cc21)Nc1nc(-c2ccncc2)cs1 71284447 XLZQULODDJTJDN-UHFFFAOYSA-N 352.394 3.938 0 40 FHAB CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(C)C)C1 72395936 QMNJPKAERDBZSS-NRFANRHFSA-N 355.482 3.511 0 40 FHAB CCOC(=O)C[C@H](c1ccc(OCC(C)C)cc1)c1c(O)cc(C)[nH]c1=O 72403205 AGZBVZPPTQPBJY-QGZVFWFLSA-N 373.449 3.509 0 40 FHAB COc1ccc(CCS(=O)(=O)N2CCC(c3cccs3)CC2)cc1 75157077 MSWNFUIUPPKPHY-UHFFFAOYSA-N 365.520 3.509 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)COCC2 75166195 MHTFVARFNUPCKB-UHFFFAOYSA-N 352.843 3.665 0 40 FHAB COc1ccc(CNCc2cc(F)cc(Br)c2)c(OC)c1 77507287 WTXLABJPNPWSMO-UHFFFAOYSA-N 354.219 3.895 0 40 FHAB CN(C)C[C@H]1CSCCCN1C(=O)Nc1cccc(C(F)(F)F)c1 90608935 KEEUIFJUXYSBAB-AWEZNQCLSA-N 361.433 3.606 0 40 FHAB CN1CCC(C)(CNC(=O)c2cc(Br)ccc2Cl)CC1 95468523 CGJSSJLBFXPVRE-UHFFFAOYSA-N 359.695 3.564 0 40 FHAB CC(=O)Nc1cccc(C2=NN(C(=O)c3ccco3)[C@H](c3cccnc3)C2)c1 95946352 JXIYSLQFWZBKKU-IBGZPJMESA-N 374.400 3.625 0 40 FHAB C[C@H](CC1CCOCC1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 95995888 PFOMGEWYUKZWKV-SJKOYZFVSA-N 371.308 3.894 0 40 FHAB COc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccccc2C)C3)cc1 96269257 HJMJQIUEZRFEAU-FQEVSTJZSA-N 363.461 3.556 0 40 FHAB biogenic,in-vitro COc1c(C)cccc1CN1C[C@@H]2CCC[C@@H](C1)C2(O)c1ccc(C)cn1 100149427 MZSNMLADQAEVTJ-PMACEKPBSA-N 366.505 3.827 0 40 FHAB OCCCc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C=C(c1ccccc1)N2 100706828 NTBRCEMRRPQXFI-SFHVURJKSA-N 366.852 3.912 0 40 FHAB COc1ccc([C@H]2Nc3nonc3N=C3CC(C)(C)CC(O)=C32)c(OC)c1 102752708 SHEDPSVVQRXREP-MRXNPFEDSA-N 370.409 3.958 0 40 FHAB CC(C)(C)C1CCC(OC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 102813158 MNWJXKPPRZYIBL-UCUFBTAOSA-N 363.498 3.700 0 40 FHAB COC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)c1 120280339 RTOPWVHEDVFVSD-UHFFFAOYSA-N 360.218 3.581 0 40 FHAB C[C@@H](CNC(=O)N1CCC(OC2CCCC2)CC1)Oc1ccc(F)cc1 174014537 IMHUEXZIFHOEKR-HNNXBMFYSA-N 364.461 3.726 0 40 FHAB O=C(Cc1ccccc1Cl)NCc1nn(C2CCCC2)c2c1COCC2 206753133 LDJQGNDYDHDKAA-UHFFFAOYSA-N 373.884 3.583 0 40 FHAB CCc1ccc(N([C@@H](C)C(=O)Nc2cccc(C)c2C)S(C)(=O)=O)cc1 220265475 HTFVGDCCSKXTKI-INIZCTEOSA-N 374.506 3.659 0 40 FHAB COc1ccc2cc(S(=O)(=O)Nc3cccc(NC(C)=O)c3)ccc2c1 224029070 BZQJOJIVMKIWKR-UHFFFAOYSA-N 370.430 3.608 0 40 FHAB CCC[C@@H](C)NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2)c1 224295426 LQTGNFBSNDFZBX-MRXNPFEDSA-N 374.506 3.739 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCC2(CC2)CO3)cc1 225366202 ZBVYEHMVMOWGPB-UHFFFAOYSA-N 367.401 3.667 0 40 FHAB COc1ccccc1CCCNC(=O)COc1cccc2c1CCCC2 225825769 FENPLRRKZUQAMS-UHFFFAOYSA-N 353.462 3.702 0 40 FHAB COc1cc(N)ccc1NC(=S)NC(=O)c1cccc2ccccc12 226238525 AYURFWXWDXTGFF-UHFFFAOYSA-N 351.431 3.557 0 40 FHAB O=C(c1ccc2ccccc2c1)N1CC2(C[C@@H](OCC3CC3)CCO2)C1 247956739 VUHPHOGRXOGLCX-FQEVSTJZSA-N 351.446 3.640 0 40 FHAB CCOc1ccccc1-c1nc(SCC(=O)Nc2ccc(C)cc2)n[nH]1 408526487 BYTWMMKSTQFZSW-UHFFFAOYSA-N 368.462 3.910 0 40 FHAB CCCN1C(=O)N/C(=C/c2cccn2-c2cccc(Br)c2)C1=O 409239180 GVAVWYNJCLQIFU-RVDMUPIBSA-N 374.238 3.543 0 40 FHAB Cc1cc(NC(=O)N2C[C@@H](C)C[C@H]2c2ccccc2)ccc1-n1cnnn1 554380535 IOCVCPPTWIOSRT-LIRRHRJNSA-N 362.437 3.586 0 40 FHAB COc1ccccc1NC(=O)NC[C@H](c1cc2ccccc2o1)N(C)C 575619995 HILMNAVAZUFZFB-MRXNPFEDSA-N 353.422 3.866 0 40 FHAB O=C1CC[C@H](C(=O)NCc2cc(Cl)ccc2OC(F)F)n2cccc21 583474655 OZYCWDAWLDDXON-CYBMUJFWSA-N 368.767 3.577 0 40 FHAB CON1CCC(NC(=O)[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 616388966 FAJRUCHBORXHGS-IBGZPJMESA-N 358.869 3.614 0 40 FHAB O=C(N[C@H]1CCN(Cc2ccsc2)C1)c1ccc(-n2cccc2)cc1 675007982 ITEFRPMVJFPRRB-SFHVURJKSA-N 351.475 3.543 0 40 FHAB NCC1(c2ccccc2)CCN(c2ncc(F)c(-c3ccsc3)n2)CC1 1164442805 IHWZYBKAXIHVKV-UHFFFAOYSA-N 368.481 3.841 0 40 FHAB CO[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@@H](C)C1)C1CC1 1769667392 ZDVGNUPDYIPUPN-YZVOILCLSA-N 372.488 3.525 0 40 FHAB COc1ccccc1-c1ccc(C(=O)NCCc2ccccc2F)nc1 1776028934 JZEJSNMITKBPGZ-UHFFFAOYSA-N 350.393 3.869 0 40 FHAB COc1ccc(N2C(=O)c3ccc(C(=O)OCCC(C)C)cc3C2=O)cc1 797306 UYBVTUGPTFPORE-UHFFFAOYSA-N 367.401 3.699 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)Nc3nc4ccccc4s3)CC2=O)cc1 806850 SJZZOSPDLKXCFG-CYBMUJFWSA-N 351.431 3.596 0 40 FHAB Cc1cc2cc(C)c3nnc(SCC(=O)NC4CCCC4)n3c2cc1C 1223240 SLMKAOYENFOGOM-UHFFFAOYSA-N 368.506 3.959 0 40 FHAB COc1cccc(-c2noc([C@H]3CCCN(C(=O)c4cccs4)C3)n2)c1 1362469 UPKRXWOXYSQYHW-AWEZNQCLSA-N 369.446 3.827 0 40 FHAB O=C(NCCOc1ccc(Cl)cc1)c1ccccc1Br 3131641 PQLIQSKBPOJTQI-UHFFFAOYSA-N 354.631 3.911 0 40 FHAB O=C(CCCc1ccc2c(c1)CC(=O)N2)Nc1cc(-c2cccs2)n[nH]1 104860687 IBODNADNXWXIFE-UHFFFAOYSA-N 366.446 3.594 0 40 FHAB CCc1cc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)sc1C 23762907 SJOQRCGJDWYXJH-UHFFFAOYSA-N 369.490 3.739 0 40 FHAB COC(=O)c1ccccc1C[C@H](Cc1ccc2c(c1)CCC2)C(=O)OC 6385222 SIIWIPKLSNSSHP-IBGZPJMESA-N 352.430 3.536 0 40 FHAB O=C(Nc1nc2ccccc2s1)[C@@H]1CCCN1C(=O)c1cccs1 7808623 GNWLIQIRBMQQMQ-LBPRGKRZSA-N 357.460 3.601 0 40 FHAB COC(=O)c1ccc(C(=O)OCC(=O)Nc2c(C)cccc2C(C)C)cc1 7983611 SYSOVFGUELRGQR-UHFFFAOYSA-N 369.417 3.701 0 40 FHAB O=C(O)c1nc(-c2ccc(F)cc2)n(-c2ccc(Br)cc2)n1 8730822 PYMGEALZEZSKSW-UHFFFAOYSA-N 362.158 3.534 0 40 FHAB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccncc2)cc1 12551254 SNOILOIPKNYDQZ-IYBDPMFKSA-N 367.449 3.502 0 40 FHAB O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(F)cc3)o2)cc1 8812135 YGXPOILXXVFCTD-SRZZPIQSSA-N 352.321 3.548 0 40 FHAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCOCC1 24928074 NYKVYQRKYIHORF-UHFFFAOYSA-N 356.369 3.610 0 40 FHAB O=C(Nc1cccnc1)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 12545582 NSQIDMWJBKXSFG-UHFFFAOYSA-N 365.393 3.782 0 40 FHAB COCCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1OC(F)(F)F 25061039 QXIASQCONFMHSV-INIZCTEOSA-N 366.339 3.798 0 40 FHAB Cc1cc(C(=O)COC(=O)c2ccccc2O)c(C)n1Cc1cccs1 3294395 WQDRBDTZCCIKFT-UHFFFAOYSA-N 369.442 3.960 0 40 FHAB Cc1ccccc1C(=O)Nc1ccc(I)cc1F 14258266 ACBGJKMQTGHKJH-UHFFFAOYSA-N 355.150 3.991 0 40 FHAB CC[C@H](C)Nc1nnc(SCc2nc3c(C)cccc3c(=O)[nH]2)s1 9607596 YCZWJHREBMEEKA-JTQLQIEISA-N 361.496 3.586 0 40 FHAB O=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1ccc(F)cc1F 9750884 XHOIZWDLAAAWAU-HNNXBMFYSA-N 351.422 3.985 0 40 FHAB Cc1nc2ccccc2n1C[C@H](O)COc1cccc(Br)c1 12602560 IANPWAXVHWJBNY-AWEZNQCLSA-N 361.239 3.547 0 40 FHAB CN(CCc1ccncc1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 12610269 MKIJUTONTJMQKN-UHFFFAOYSA-N 371.790 3.867 0 40 FHAB Cc1ccc(C)c(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c1 1929361 MQAVNQBUERBSQM-LBPRGKRZSA-N 372.490 3.606 0 40 FHAB CC[C@H]1CCCCN1C(=O)CN1CCC[C@@H]1c1cc(OC)ccc1OC 48287058 ZGNHXDCCDSCPFJ-QFBILLFUSA-N 360.498 3.632 0 40 FHAB CCOC(=O)N1CCC(C(=O)N2CC[C@@H](C)Sc3ccccc32)CC1 24585166 ANKCHMVSYDROCD-CQSZACIVSA-N 362.495 3.772 0 40 FHAB Cc1cc(C(=O)COC(=O)c2cc(Cl)c(O)c(Cl)c2)c(C)n1C 3326321 DZRBYLBEYWATOJ-UHFFFAOYSA-N 356.205 3.694 0 40 FHAB CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)c1cccc(F)c1 58406088 BEIAXXALJMOHRQ-UHFFFAOYSA-N 367.380 3.548 0 40 FHAB Cc1cc(C)nc(SCC(=O)N2CCC(Nc3ccccc3C)CC2)n1 58430623 ILFZOHPVUPXCRL-UHFFFAOYSA-N 370.522 3.597 0 40 FHAB Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 45287428 QABAAOVNSROPHM-JTQLQIEISA-N 366.339 3.671 0 40 FHAB Cc1nc(-c2cccs2)sc1C(=O)O[C@@H](C(N)=O)c1ccccc1 10841464 HTXQZIXKLRJZTG-CYBMUJFWSA-N 358.444 3.563 0 40 FHAB Cc1cc(C)c(S(=O)(=O)Cc2nc(-c3ccccc3C)no2)cc1C 23125813 UBUSULCFDFEVPQ-UHFFFAOYSA-N 356.447 3.944 0 40 FHAB CC[C@@H](C)[C@H](NC(=O)NCC(c1ccccc1)c1ccccc1)C(=O)OC 2420408 YMOSLOULNKVKHE-UZLBHIALSA-N 368.477 3.705 0 40 FHAB C[C@@H](NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1ccc(F)cc1 12806011 DLWSWLZLNRLPAI-CYBMUJFWSA-N 355.413 3.735 0 40 FHAB COc1ccc(-c2noc(CCC(=O)NCc3ccccc3Cl)n2)cc1 11375782 ZNVUARGKUCBBOZ-UHFFFAOYSA-N 371.824 3.648 0 40 FHAB C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccc(F)cc1F 12884983 DZWUAJMWTHIWHZ-SECBINFHSA-N 350.390 3.866 0 40 FHAB Cc1cc(=O)n2c3ccccc3nc2n1CC(=O)Nc1ccc(C(C)C)cc1 20634999 NLTBGIRWMMWXAV-UHFFFAOYSA-N 374.444 3.720 0 40 FHAB CCOC(=O)N1CCC(NC(=O)c2ccccc2Cc2ccccc2)CC1 24471353 ZVNNNOYOXUAAJM-UHFFFAOYSA-N 366.461 3.628 0 40 FHAB O=C(COc1ccc(F)cc1Cl)Nc1ccccc1N1CCCC1=O 12869139 BXSAGZUHMMJAAD-UHFFFAOYSA-N 362.788 3.623 0 40 FHAB Cc1ccccc1C(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1 25183667 BRUSHLDZCBWLPE-UHFFFAOYSA-N 354.494 3.854 0 40 FHAB CCc1c(C)sc2ncn3nc(-c4cc(C(F)(F)F)n(C)n4)nc3c12 2789651 YFFQXNGKFDHZAN-UHFFFAOYSA-N 366.372 3.629 0 40 FHAB CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CN1CCC[C@@H](C)C1 12858583 BMFOXBJYAQQZII-AEFFLSMTSA-N 373.541 3.601 0 40 FHAB CCOc1ccc(C(C)=O)cc1CSc1nnnn1-c1ccc(C)cc1 3516006 JSPFMMQJVNQBDB-UHFFFAOYSA-N 368.462 3.864 0 40 FHAB COc1ccc(C(=O)Cn2nc(-c3ccccc3Cl)sc2=N)cc1 3856059 VFKLQSDXHVKUAE-UHFFFAOYSA-N 359.838 3.636 0 40 FHAB CC[C@@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1cccc(OC)c1 3895985 TVHHQFZTTUWSAZ-LEPAWZOPSA-N 360.498 3.991 0 40 FHAB CCc1ccccc1N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 4073348 GAVSQXAABSWILU-QFIPXVFZSA-N 359.429 3.970 0 40 FHAB biogenic CCCO[C@H]1CCCN(C(=O)Nc2cccc(N3CCCC3=O)c2C)C1 65413565 XTCCABOVJILNMK-INIZCTEOSA-N 359.470 3.545 0 40 FHAB O=C(COc1ccc(Cl)cc1Br)NCCc1cccs1 5317378 IMNZGISCQLEJHL-UHFFFAOYSA-N 374.687 3.902 0 40 FHAB O=C(Cn1nnc(-c2ccccc2Cl)n1)c1ccc2c(c1)CCCC2 5470259 LNZKQVQOFUQVLK-UHFFFAOYSA-N 352.825 3.755 0 40 FHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc(F)c(F)cc1Cl 6541444 DRNQPESIKXCFCD-HNNXBMFYSA-N 354.784 3.778 0 40 FHAB O=C(c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)N1CCCCC1 4878945 FQYMRVDHPTXTFC-DTQAZKPQSA-N 370.474 3.725 0 40 FHAB COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 6848461 HWCCWEYVURPCFT-AWEZNQCLSA-N 364.401 3.683 0 40 FHAB Cc1nc2ccc(C(=O)O[C@H](C)C(=O)Nc3ccccc3F)cc2nc1C 6848251 MOVCUPATNODORS-CYBMUJFWSA-N 367.380 3.570 0 40 FHAB Cc1nc(Cc2nn(CN3CCc4ccccc4C3)c(=S)o2)cs1 6985980 QQUUQGJOHLVQBB-UHFFFAOYSA-N 358.492 3.577 0 40 FHAB CCC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccccn3)cs2)cc1 6919233 BULCHSMSXFNPLR-UHFFFAOYSA-N 367.430 3.815 0 40 FHAB C[C@@H](O)[C@@]1(O)C[C@H]2[C@@H]3CC[C@]4(C)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1 118914895 ZOTNOPONJVMHKM-BLZMNUIKSA-N 350.543 3.892 0 40 FHAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(SC)ccc1Cl 9576600 VHAHJAUAEZIAHZ-MRXNPFEDSA-N 363.866 3.576 0 40 FHAB CCOc1ccc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCCCC2)cc1 15860182 ZHYVYBTZEUCQAC-IBGZPJMESA-N 356.466 3.944 0 40 FHAB COc1ccc(CN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)C2CC2)cc1 8157356 FXLLEPSKSWVESU-LJQANCHMSA-N 357.837 3.843 0 40 FHAB O=C1CCc2cc(C(=O)CSc3nnc(C4CCCCC4)o3)ccc2N1 8366154 GJHFLIHNZOULDY-UHFFFAOYSA-N 371.462 3.977 0 40 FHAB COc1nc(C(=O)Nc2cccc(Cn3cccn3)c2)cc2ccccc12 83915492 AXIPWLLKDCRHLX-UHFFFAOYSA-N 358.401 3.741 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)CN1C(=O)N[C@@](C)(CCC(C)C)C1=O 8707484 SQGNMRPVSXGPBQ-NRFANRHFSA-N 373.497 3.804 0 40 FHAB COc1cc(NC(=O)[C@H](C)Sc2nc3ccccc3n2C)cc(OC)c1 8808069 YMZOYQOOFCSFMP-LBPRGKRZSA-N 371.462 3.710 0 40 FHAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCc2ccccc21 19162741 BUKBCPREOXLNSC-UHFFFAOYSA-N 366.505 3.689 0 40 FHAB Cn1nc(C(F)(F)F)c(C(=O)NC2CCCCCC2)c1C(F)(F)F 72306841 JMZQCTMLJSMJFZ-UHFFFAOYSA-N 357.298 3.910 0 40 FHAB O=C(Cn1cccc1-c1nc(-c2ccccc2)no1)Nc1ccccc1F 98211336 WCEBOOITNYIQJC-UHFFFAOYSA-N 362.364 3.983 0 40 FHAB C[C@@H](C(=O)NCc1ccccc1)N1CC=C(c2c[nH]c3ccccc23)CC1 89478871 MWZHKIBHHQADGT-KRWDZBQOSA-N 359.473 3.962 0 40 FHAB Cc1cc(SCC(=O)Nc2nccs2)nc(-c2ccc(F)cc2)n1 67257238 JLXFBNDRUAFKGN-UHFFFAOYSA-N 360.439 3.778 0 40 FHAB COc1ccc(CC(=O)OCc2noc(-c3ccc(Cl)cc3)n2)cc1 29299277 AWHLPESFPWKLSV-UHFFFAOYSA-N 358.781 3.685 0 40 FHAB O=C(O)CCCNC(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1 62715565 XJGMRIIQXKWUNC-FMIVXFBMSA-N 373.836 3.913 0 40 FHAB CCCCNC(=O)c1cc2c(N3CCCCC3)nc(SC)nc2s1 408618267 FJUFPQHRWHWUQA-UHFFFAOYSA-N 364.540 3.933 0 40 FHAB COC(=O)c1ccccc1NC(=O)c1cc2ccc(OC)cc2nc1C 408713098 KFEYHPZPTVSQTF-UHFFFAOYSA-N 350.374 3.591 0 40 FHAB O=C(Cc1cccnc1)N1CCCC[C@@H]1c1n[nH]cc1-c1cccc(F)c1 72356341 KKELIYFSRKFVIR-LJQANCHMSA-N 364.424 3.907 0 40 FHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCCN1CCC[C@@H](C)C1 222842146 GCDMCKIQVSPBQN-MSOLQXFVSA-N 358.526 3.571 0 40 FHAB Cc1cc(S(=O)(=O)NCCSCc2cccc(Cl)c2)ccc1F 225601979 MGSCIYACDJTOGV-UHFFFAOYSA-N 373.902 3.999 0 40 FHAB O=C1CCCCC[C@H](C(=O)N2CCC(Oc3cncc(Cl)c3)CC2)C1 571416032 IHNCQYFILDNTTK-AWEZNQCLSA-N 364.873 3.644 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=S)NCCOc2ccc(C)cc2)c1 225562804 IITJHRURYJPHSB-UHFFFAOYSA-N 372.490 3.846 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)Sc2nc3nc(C)c(C)c(C)n3n2)c(C)c1 40119200 MNHLATGIOXHQCB-HNNXBMFYSA-N 369.494 3.786 0 40 FHAB Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1 222701467 WMAVFRAJWWYSKB-CVEARBPZSA-N 355.434 3.719 0 40 FHAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)O)[C@@H]1c1ccc(OC)cc1 49466926 RBQMLCCFWANQQO-OALUTQOASA-N 353.418 3.861 0 40 FHAB CCCOC(C)(C)C(=O)Nc1ccc(OCCCN(CC)CC)cc1 225727372 ZNZXAVDNFWQAOG-UHFFFAOYSA-N 350.503 3.941 0 40 FHAB C[C@@H](COc1ccccc1)NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 224906935 HILLDWNKYHSUBQ-DLBZAZTESA-N 353.462 3.916 0 40 FHAB O=C1CC[C@@H](c2cccc(NC(=O)N3CCC=C(c4ccccc4)C3)c2)N1 583073425 RPFPAAFUQFWRKL-FQEVSTJZSA-N 361.445 3.959 0 40 FHAB CCOc1cc(C(=O)N2CCOc3ccc(C)cc3C2)cc(Cl)c1O 578564477 ZSSDIWXBGIIMMD-UHFFFAOYSA-N 361.825 3.788 0 40 FHAB Cc1ccc(C(=O)N2CC[C@]3(C[C@H]3C(=O)NCc3cccs3)C2)cc1C 96227648 FGKQXIJHSWJHRA-RXVVDRJESA-N 368.502 3.534 0 40 FHAB CC(C)CC(=O)N1CCC2(CC1)C[C@H](CC(=O)NC(C)C)c1ccccc12 96241957 NKVPDFLWZKVHSG-SFHVURJKSA-N 370.537 3.995 0 40 FHAB C[C@@H](NC(=O)c1ccccc1)c1c(-c2ccc(F)cc2)noc1C(=O)O 96296850 LYURRJTZQBMDBH-LLVKDONJSA-N 354.337 3.670 0 40 FHAB biogenic,in-vitro Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C)CC2)n1 257229898 FZXWDHRNGGDASN-DDBAPUKQSA-N 364.493 3.893 0 40 FHAB Cc1cccc(Nc2cnc([C@H]3CCCN(Cc4cncs4)C3)cn2)n1 257284135 PBIXSZPBJPJZIL-HNNXBMFYSA-N 366.494 3.760 0 40 FHAB c1ccc(Nc2cc(CC3CCN(Cc4cncs4)CC3)ncn2)nc1 257241349 HXTAKUIRZSBQEL-UHFFFAOYSA-N 366.494 3.526 0 40 FHAB CC(C)(c1ccc(OCCC(=O)O)cc1)c1ccc(OCCC(=O)O)cc1 255187024 AUTGQMGAOITRHO-UHFFFAOYSA-N 372.417 3.720 0 40 FHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1cc(Cl)cc2cccnc12 25600553 ZAQSKOARBBGZAL-UHFFFAOYSA-N 374.849 3.934 0 40 FHAB CC1CCN(c2nc(O)c3c(n2)NC(=O)C[C@@H]3c2ccc(Cl)cc2)CC1 670416108 LECYPMKAGSDHLJ-CQSZACIVSA-N 372.856 3.546 0 40 FHAB c1nc(C[C@H]2CCCN(Cc3ccc4cc[nH]c4c3)C2)cc(-c2ncc[nH]2)n1 585182532 FJYXYLDXQSVDRH-MRXNPFEDSA-N 372.476 3.803 0 40 FHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccnn1Cc1ccccc1 65531751 KZCHQRNIXFOMGT-UHFFFAOYSA-N 374.448 3.818 0 40 FHAB CN(C)c1ccc(C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1 53554116 BCYMVTYHFYIPOM-UHFFFAOYSA-N 372.415 3.766 0 40 FHAB Cc1ncc(C(=O)N2CCC[C@]23CN(c2ccc(F)cc2)C(C)(C)C3)cn1 1615120437 LBUSTVMAGWPHGZ-NRFANRHFSA-N 368.456 3.588 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3O)n[nH]2)cc1 5504479 ZLGMWBDQLAXWDA-LBPRGKRZSA-N 354.435 3.605 0 40 FHAB Cc1cccc(NC(=O)[C@H](C)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 12327062 HNEHWWHRIBAYFK-ROUUACIJSA-N 365.477 3.673 0 40 FHAB O=C(CCNC(=O)c1ccco1)Nc1cccc(Oc2ccccc2)c1 12793127 RFRWAUXVZIDHSM-UHFFFAOYSA-N 350.374 3.831 0 40 FHAB COc1cccc(N2C[C@H](C(=O)N[C@H](C)c3ccc(Cl)cc3)CC2=O)c1 12873019 NSPPBOJRRUFELQ-UKRRQHHQSA-N 372.852 3.579 0 40 FHAB Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 13068993 OYPLCENYIADPEM-UHFFFAOYSA-N 372.490 3.812 0 40 FHAB CCOc1ccc2[nH]c(=O)c(CNc3ccc(OC)c(OC)c3)cc2c1 13561394 QKEHIBUJGBLDEM-UHFFFAOYSA-N 354.406 3.556 0 40 FHAB CC(=O)N(C)C1CCC2(CC1)CN(C(=O)C(C)(C)C)Cc1ccccc1O2 19016305 YZJRLJAQSAIODA-UHFFFAOYSA-N 372.509 3.613 0 40 FHAB Cc1ccc(-n2c(S[C@@H]3CCCCC3=O)nnc2N2CCCC2)cc1 19487964 IOYCSPXPTUFODM-QGZVFWFLSA-N 356.495 3.780 0 40 FHAB O=C(C1CCC1)N1CCC([C@@H]2CCCCN(Cc3ccccc3)C2=O)CC1 19703436 AUYARTUTNJHCDM-NRFANRHFSA-N 368.521 3.854 0 40 FHAB Cc1cc(N(Cc2ccco2)C[C@@H]2CCCO2)nc(-c2cccnc2)n1 155407850 GFFMWVCMCLXGMG-SFHVURJKSA-N 350.422 3.626 0 40 FHAB Cc1cnc(Nc2cccc([C@H]3CN(C(=O)C4CCCC4)CCO3)n2)s1 643551116 XMMCKLJJPGESHS-MRXNPFEDSA-N 372.494 3.680 0 40 FHAB COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NC(=O)CCCn2ccnc2)cc1 19557475 RDABXXOMZNTEKS-MXNKGDRCSA-N 367.493 3.761 0 40 FHAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccccc2Cl)C1=O 4308454 CEPKHALMTKTGGJ-IBGZPJMESA-N 374.799 3.519 0 40 FHAB CC(C)(C)c1nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)s1 1889101407 ROKMQFRELMLLAG-UHFFFAOYSA-N 371.432 3.576 0 40 FHAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN1C(=O)c1cccs1 20400277 RUTHDRAWDZPAKO-CYBMUJFWSA-N 352.818 3.784 0 40 FHAB Cc1ccc(CN(C)C(=O)COC(=O)c2c(C)noc2C(C)C)c(C)c1 23328500 SSHZZHZCAFTVTI-UHFFFAOYSA-N 358.438 3.539 0 40 FHAB Cc1cccc(O[C@@H]2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)n1 238933330 VGXWLIGGSUKGOR-MRXNPFEDSA-N 364.367 3.631 0 40 FHAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc3c(C)cc(C)cc3s2)cc1 5241727 ZXOOZRWOUKPBHJ-UHFFFAOYSA-N 374.487 3.959 0 40 FHAB CCCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)cc1OC 6263789 JIMJQWPAOQTXPM-QMMLZNLJSA-N 361.482 3.699 0 40 FHAB biogenic Cc1nc2ccccc2n1[C@H]1C[C@H]2CN(Cc3cccs3)C[C@H]2C[C@@H]1O 2332242755 OAAGRQCTVIVHHB-GQSCTRQFSA-N 367.518 3.850 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)OC(F)(F)O3)c1 30005771 KBOIHIVWHHGLML-SNVBAGLBSA-N 362.332 3.650 0 40 FHAB O=C1c2ccccc2C(=O)N1Cc1nc(-c2ccc(F)cc2F)cs1 30448516 UIAGYWZTKMGBNA-UHFFFAOYSA-N 356.353 3.885 0 40 FHAB O=C1CCCc2cc(C(=O)CSc3ncnc4sccc34)ccc2N1 32324258 HKBBSAPOMMJPSX-UHFFFAOYSA-N 369.471 3.941 0 40 FHAB COc1ccc2[nH]cc(C3=CCN(C(=O)Cc4c(C)noc4C)CC3)c2c1 32336293 GPHFGKZEHTZETN-UHFFFAOYSA-N 365.433 3.640 0 40 FHAB CSCc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 32675929 LEALMLATPOCJBJ-UHFFFAOYSA-N 355.507 3.554 0 40 FHAB Cc1c(C(=O)N(C)C[C@@H]2COc3ccccc3O2)oc2ccc(F)cc12 32718935 YWGSQDKUCWTYFR-CQSZACIVSA-N 355.365 3.792 0 40 FHAB Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1 102611881 XSBOEEKPPAAHFH-RDKOAJKFSA-N 363.413 3.923 0 40 FHAB CC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2cc(C(C)(C)C)no2)cc1 32909071 PVPMBFBNFIVPON-UHFFFAOYSA-N 372.469 3.551 0 40 FHAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nn1cnc2ccccc21 33222508 OLUIQKPHZNRCOC-SNVBAGLBSA-N 350.205 3.881 0 40 FHAB Nc1nc(N)c(-c2ccccc2)c(C(=O)Nc2ccc(Cl)c(Cl)c2)n1 634440 NOMNZYQWBUDZJI-UHFFFAOYSA-N 374.231 3.867 0 40 FHAB Cc1ccccc1O[C@@H]1C(=O)N(C2CCCC2)[C@H]1c1ccc2c(c1)OCO2 816234 AYSPZLVPHOCMQI-SFTDATJTSA-N 365.429 3.997 0 40 FHAB O=C(Nc1ccc(Br)cn1)c1ccccc1Br 828939 NLYRPDWYBCHBQH-UHFFFAOYSA-N 356.017 3.859 0 40 FHAB O=C(c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1N1CCOCC1 1392183 RQUWDAOABXVYTP-UHFFFAOYSA-N 370.758 3.821 0 40 FHAB CCc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc(OC)cc3)NC(=O)CN21 2126028 LCOZWBRWQRCCNM-MDRMPYQZSA-N 362.473 3.895 0 40 FHAB biogenic Cc1ccc2nc(NC(=O)[C@@H](NC(=O)c3ccccc3)C(C)C)sc2c1 3222634 RUBCBIVFSSJFNM-KRWDZBQOSA-N 367.474 3.998 0 40 FHAB O=C(COc1ncnc2ccccc12)NC(c1ccccc1)c1ccccc1 3291181 QCFFOYUYBJMBSE-UHFFFAOYSA-N 369.424 3.914 0 40 FHAB Nc1cc(C(=O)OCC(=O)Nc2cccc3ccccc23)ccc1Cl 3338678 RWDGMOXEYRHKJN-UHFFFAOYSA-N 354.793 3.871 0 40 FHAB C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)NC[C@H]1CCCO1 3353523 PFWWXYAMMGJVIH-PSASIEDQSA-N 368.808 3.530 0 40 FHAB Cc1cc(C)c(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)cc1C 3369001 ZJGVNQHTKHHEEZ-UHFFFAOYSA-N 365.429 3.778 0 40 FHAB CCn1c(SCc2ccc(C(=O)OC)o2)nnc1-c1ccccc1OC 3401282 QVSIKQPROQRKLY-UHFFFAOYSA-N 373.434 3.646 0 40 FHAB Cc1ccc(N2CCN(C3=NC[C@@H](Cc4ccccc4)S3)CC2)cc1 4615173 GTMJMWFLBDATGD-HXUWFJFHSA-N 351.519 3.831 0 40 FHAB C[C@@H](OC(=O)c1nc(Cl)ccc1Cl)C(=O)Nc1ccccc1F 4767389 WVSKIXVHDKHQAV-MRVPVSSYSA-N 357.168 3.712 0 40 FHAB COc1ccc(Cc2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1 4851851 AYZHZZFXCYBVBO-UHFFFAOYSA-N 370.865 3.889 0 40 FHAB CCCCCCC1=NN(C(=O)c2ccccc2N)[C@](O)(C(F)(F)F)C1 4903180 OWCFAHARQNKNMH-MRXNPFEDSA-N 357.376 3.692 0 40 FHAB COc1ccc(NCN2C(=O)S/C(=C/c3cccc(OC)c3)C2=O)cc1 5006723 MGKCPWJMQGMTJP-GZTJUZNOSA-N 370.430 3.810 0 40 FHAB CCOc1ccc2nc(S[C@H](C)C(=O)Nc3ccnn3C(C)C)[nH]c2c1 5667385 YWZSCHVKMBKRII-GFCCVEGCSA-N 373.482 3.858 0 40 FHAB CC(=O)Sc1[nH]c(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccccc1 5884404 XXBPHHYYGYQJLE-UHFFFAOYSA-N 372.471 3.857 0 40 FHAB COC(=O)c1ccccc1NS(=O)(=O)c1c(Cl)cccc1Cl 6007840 XJFWFSUBYLEQPA-UHFFFAOYSA-N 360.218 3.581 0 40 FHAB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ncnc2sc3c(c12)CCCC3 6047961 AWQXECOAROQYDK-CHWSQXEVSA-N 359.495 3.738 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)/C=C/c1ccc(Cl)cc1 6065211 SDLLHSKJXQDGPG-ZHZWZMEUSA-N 355.821 3.874 0 40 FHAB NC(=O)c1ccc(NC(=O)CSc2cc(Cl)ccc2Cl)cc1 6558584 FSDQXLJNMZNJHO-UHFFFAOYSA-N 355.246 3.823 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 6790502 LIQPATGUGATWKW-UHFFFAOYSA-N 367.323 3.934 0 40 FHAB O=C(Cc1ccc2c(c1)OCCO2)NC(c1ccccc1)c1ccccc1 7307950 MMOBYMCLROUZTD-UHFFFAOYSA-N 359.425 3.906 0 40 FHAB CC[C@H](CNC(=O)[C@@H](C)Sc1nnc2n1CCCCC2)c1ccccc1 7313612 KWKVXGZBQRLWCE-HZPDHXFCSA-N 372.538 3.795 0 40 FHAB O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1cccc(-n2cccc2)c1 7359126 YVAYAQSMYHNWPO-FQEVSTJZSA-N 360.413 3.654 0 40 FHAB C[C@@H](NC(=O)[C@]1(C)Cc2ccccc2C(=O)O1)C12CC3CC(CC(C3)C1)C2 7397929 AMWZFBDFFJRBKR-VTCKDNKRSA-N 367.489 3.879 0 40 FHAB CCOc1ccc(OCCNC(=O)c2ccc(C(F)(F)F)cc2)cc1 7899536 MWOXWSPNYSHVDQ-UHFFFAOYSA-N 353.340 3.913 0 40 FHAB C[C@H]1CCc2sc(C(=O)N(C)CC(=O)Nc3cccc(F)c3)cc2C1 8020540 AAXGJXBGORSTNI-LBPRGKRZSA-N 360.454 3.723 0 40 FHAB CN(C)[C@H](CNC(=O)c1ccc(COc2ccccc2)cc1)c1ccco1 8073449 BALZYVQIJNUVFD-HXUWFJFHSA-N 364.445 3.891 0 40 FHAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccccc1-c1ccccc1 8342601 JFGXFFOHOCKYNR-UHFFFAOYSA-N 371.444 3.979 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)c(C)c1 8715853 VOBDQGDZVHJIHH-UHFFFAOYSA-N 366.442 3.847 0 40 FHAB COc1ccc(-c2nnc(SCc3cn4cc(C)ccc4n3)o2)cc1 8753665 HVDIFTIOBPVTCR-UHFFFAOYSA-N 352.419 3.994 0 40 FHAB COc1ccc(C(=O)C2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1 8757329 OQGNCCJIXSUARW-UHFFFAOYSA-N 366.461 3.537 0 40 FHAB COc1ccccc1C(=O)O[C@@H](C(=O)Nc1cc(C)on1)c1ccccc1 9112746 IEWIYGBBMLDMGM-GOSISDBHSA-N 366.373 3.528 0 40 FHAB O=C(CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12)N1CCCC1 9189906 NDKWAOJKLLGFGY-QFIPXVFZSA-N 373.456 3.726 0 40 FHAB COc1ccc2nc(NC(=O)CN3c4ccccc4C[C@H]3C)sc2c1 9313985 SPEVPWIESMQMCA-GFCCVEGCSA-N 353.447 3.695 0 40 FHAB O=C(CSc1nc(-c2ccccc2)n[nH]1)N1CC[C@@H]2CCCC[C@@H]2C1 9364412 FGVJIZVWLULNCH-GOEBONIOSA-N 356.495 3.603 0 40 FHAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 9486734 PDKLQTLUUSIGPK-INIZCTEOSA-N 361.445 3.588 0 40 FHAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(F)c(Cl)c1 10489858 YUEBTPIYUYLHEV-SFHVURJKSA-N 373.815 3.646 0 40 FHAB CCCC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nncn2C2CC2)cc1 10649153 LXMPDXOBURSJDQ-LBPRGKRZSA-N 358.467 3.715 0 40 FHAB CC(C)(C)c1ccc(NC(=O)CNc2ccccc2C(=O)NC2CC2)cc1 10753146 GVPHTPREFVFDIB-UHFFFAOYSA-N 365.477 3.927 0 40 FHAB CC[C@@H]1CCc2sc(-c3nnc(S[C@H](C)C(=O)OC)n3C)cc2C1 10830330 OLELZENHQSLKRE-GHMZBOCLSA-N 365.524 3.712 0 40 FHAB CN(Cc1cccc2ncccc12)C(=O)c1cnn(-c2ccc(F)cc2)c1 12290551 KJIVRFLHRPOLGA-UHFFFAOYSA-N 360.392 3.832 0 40 FHAB Cc1cccc(OCC(=O)NCc2c(C)nn(-c3ccccc3)c2C)c1C 12732376 FSNIGFWKNUTXLG-UHFFFAOYSA-N 363.461 3.801 0 40 FHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1cc(-c2ccccc2)no1 12769913 ZEAXRXABZDKYNM-UHFFFAOYSA-N 360.417 3.600 0 40 FHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)c1ncnc2cc(Cl)ccc12 12913711 IZFNLEUUHBRDPU-UHFFFAOYSA-N 365.824 3.546 0 40 FHAB O=C(O)c1ccc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 13679235 DXSKTYTYCVOYMX-UHFFFAOYSA-N 360.218 3.634 0 40 FHAB CC(=O)Nc1ccc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1 13993969 KVEZMONWOHMJJR-NRFANRHFSA-N 356.441 3.965 0 40 FHAB COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)s2)c1 14021699 SJUGZKRUOARPJE-VIFPVBQESA-N 369.826 3.603 0 40 FHAB O=C1c2ccccc2C(=O)N1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 14142077 NPTAXVTZCBNMLK-UHFFFAOYSA-N 373.290 3.552 0 40 FHAB CCOC(=O)[C@H]1CCCN(c2nc3c(Cl)c(C)nn3c3ccccc23)C1 14246014 RUHQOZOESOUFBM-ZDUSSCGKSA-N 372.856 3.624 0 40 FHAB COc1cc(C)c(NC(=O)CCc2cnn(-c3ccccc3)c2)cc1OC 15192583 WZKIQLHYVXPKPU-UHFFFAOYSA-N 365.433 3.769 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2C)cc1 16504794 DCIVUIXBEPSZKD-UHFFFAOYSA-N 374.506 3.597 0 40 FHAB CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3C)n[nH]2)cc1 20195628 UHVRXBWNYHQGFY-UHFFFAOYSA-N 366.446 3.714 0 40 FHAB CC1CCN([C@H](CNC[C@H](O)COc2ccccc2)c2cccs2)CC1 22030057 XVMDYZMIUIBHTN-AZUAARDMSA-N 374.550 3.551 0 40 FHAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(F)c(Cl)c1)cn2C 22237226 PABHPBNAWQWTOP-UHFFFAOYSA-N 374.799 3.982 0 40 FHAB COc1ccc(Cl)cc1C(=O)NCC1(c2cccs2)CCOCC1 23238115 UXTBAYSYYSVKGG-UHFFFAOYSA-N 365.882 3.888 0 40 FHAB COc1ccc2nc(C)c(C(=O)Nc3cccc(-c4nnco4)c3)cc2c1 24738543 BEICFKZPKJPXKN-UHFFFAOYSA-N 360.373 3.854 0 40 FHAB Cc1nc(-c2cc(C)n(CC(=O)NCc3ccc(F)cc3)c2C)cs1 24987605 ZRHJMZACXDVDTM-UHFFFAOYSA-N 357.454 3.992 0 40 FHAB CCOc1cc(CN[C@@H](c2ccc(F)cc2)c2nccn2C)ccc1OC 30644539 LSHOQMMZOFFTGG-FQEVSTJZSA-N 369.440 3.846 0 40 FHAB Cc1ccc(NS(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)c(F)c1 32926338 KNBMTPJJABCPMR-UHFFFAOYSA-N 364.373 3.870 0 40 FHAB CSc1cccc(N2C[C@H](C(=O)N3c4ccccc4C[C@@H]3C)CC2=O)c1 32975226 BNAVEGDWCGYKML-GOEBONIOSA-N 366.486 3.739 0 40 FHAB CC(C)(C)c1nc2cc(NC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)ccc2o1 33216096 JJPCLMXAAMMWAR-ORAYPTAESA-N 373.478 3.518 0 40 FHAB CC1(C)CC(=O)c2sc(NC(=O)/C=C\c3ccc4c(c3)OCO4)nc2C1 33457567 XDCRCPYXUWIJTR-XQRVVYSFSA-N 370.430 3.679 0 40 FHAB O=C(c1ccco1)N1CCC[C@H](c2nnc(Cc3ccccc3)s2)C1 36705227 MUQPPUFZKOAKKO-HNNXBMFYSA-N 353.447 3.742 0 40 FHAB COc1cccc(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC 39059693 ALTAMTJSSZBUFX-UHFFFAOYSA-N 371.452 3.980 0 40 FHAB CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(NC(C)=O)cc2)c1 45940515 HLIGNERJLHWHSW-CQSZACIVSA-N 367.449 3.560 0 40 FHAB Cc1nc(SCC(=O)NC[C@@H](C)c2nc3ccccc3s2)oc1C 50247920 LEYJEXLHHYJGDI-SNVBAGLBSA-N 361.492 3.913 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)N1CCC(OCc2ccccc2)CC1 54376259 ALRNTMYCRSSVGR-UHFFFAOYSA-N 354.406 3.628 0 40 FHAB COC(=O)c1cc(CNC(=O)CCc2ccc3ccccc3c2)oc1C 54773221 PKFWZJGFQMFJLZ-UHFFFAOYSA-N 351.402 3.777 0 40 FHAB O=S(=O)(Nc1cccc(OCc2cscn2)c1)c1cccc(F)c1 58185275 OVJISUKHIXONFM-UHFFFAOYSA-N 364.423 3.662 0 40 FHAB Cc1nc(C2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)n[nH]1 72301226 HGXLLEAMIPGHTH-UHFFFAOYSA-N 353.348 3.543 0 40 FHAB C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cc2c([nH]c1=O)CCCCC2 78137795 NSKYTASMUARPSF-PBHICJAKSA-N 368.452 3.801 0 40 FHAB O=C(Nc1cnn(Cc2ccccc2)c1)[C@@H]1Cc2cc(Cl)ccc2O1 84544696 KNSPMEFCBIYEQS-SFHVURJKSA-N 353.809 3.527 0 40 FHAB CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)/C=C/c1ccco1 89340276 HKJURTGPEANCCW-MDZDMXLPSA-N 367.449 3.695 0 40 FHAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccccc1[C@@H](O)C(C)C 89801787 QYMXSSWYZQAHEL-NRFANRHFSA-N 355.434 3.768 0 40 FHAB Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 95349617 TWOXGGWCJWWYPQ-HZPDHXFCSA-N 365.399 3.518 0 40 FHAB CCCNc1ccc(Cl)cc1NC(=O)c1ccc(N2CCNC2=O)cc1 95418971 KPFJMSJKCLLRDG-UHFFFAOYSA-N 372.856 3.944 0 40 FHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccccc2)no1 95482456 BEYWIEUHDFVRSA-INIZCTEOSA-N 371.824 3.864 0 40 FHAB Cn1c(C(=O)NC[C@H]2CCCN3CCCC[C@H]23)cc2ccc(Cl)cc21 96343822 QDNICQCLJISVMO-NVXWUHKLSA-N 359.901 3.826 0 40 FHAB biogenic CCn1/c(=N/C(=O)c2ccccc2OC)sc2c(C)ccc(OC)c21 100909034 IBULHHUKZBHBLO-VXPUYCOJSA-N 356.447 3.789 0 40 FHAB C[C@@H]1CN(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)CC(C)(C)O1 110102661 ZLKOELGKTOISEO-LLVKDONJSA-N 352.360 3.561 0 40 FHAB CCc1nc(C(=O)Nc2cccnc2Cl)nn1-c1ccccc1Cl 131690885 BCQFSJCKSYPSHJ-UHFFFAOYSA-N 362.220 3.784 0 40 FHAB CN1C(=O)CC[C@H](C(=O)Nc2cc(C3CCCC3)[nH]n2)[C@H]1c1ccccc1 172335969 UHQKNIVCCVXLMD-OXJNMPFZSA-N 366.465 3.616 0 40 FHAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccccc3Br)C(=O)[C@H]12 222310471 XZKPWLYCANZKAH-GREKMHCPSA-N 358.235 3.707 0 40 FHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc(C)cc1 222762872 CIBXQAJKBRJOIU-GOSISDBHSA-N 355.434 3.801 0 40 FHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1C 223340973 BUSHQLUSQOVZNK-OALUTQOASA-N 366.490 3.803 0 40 FHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)Cc1ccc(OC)c(C)c1 223670106 HWORRVQUJBSXFV-UHFFFAOYSA-N 371.462 3.706 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)NCCOc2ccccc2C(C)(C)C)c1 223734028 ONPKAXURLHVSPJ-UHFFFAOYSA-N 361.507 3.958 0 40 FHAB Cc1cc(C)cc(OCCNC(=O)c2ccc(CN3CCCC3)cc2)c1 224078880 SQGOTYLMPSFCTC-UHFFFAOYSA-N 352.478 3.708 0 40 FHAB Cc1cc(C)c(S(=O)(=O)NCCOc2ccc(C)c(Cl)c2)c(C)c1 224136982 OPGUHGUXOJPQQJ-UHFFFAOYSA-N 367.898 3.931 0 40 FHAB Cc1ccc(OC[C@@H](C)NC(=O)C2(c3ccccc3)CCOCC2)cc1C 224675837 HMVNOKKFDPKGAB-LJQANCHMSA-N 367.489 3.935 0 40 FHAB CC(C)c1ccccc1O[C@H](C)C(=O)NC[C@H]1COc2ccccc2O1 225266226 WHEGZKRODJFTPC-CVEARBPZSA-N 355.434 3.534 0 40 FHAB CC[C@H](NS(=O)(=O)c1ccc(F)cc1C)c1ccc(OC)c(OC)c1 225599144 MVALJDVRXPDBLH-HNNXBMFYSA-N 367.442 3.581 0 40 FHAB CCCOC(C)(C)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 225727054 VLJPEVWTGYEVNG-UHFFFAOYSA-N 362.514 3.941 0 40 FHAB O=C(NC(=S)Nc1ccc(-c2ccc(C(=O)O)o2)cc1)c1ccccc1 226355233 QMWJAZTWCWMQHL-UHFFFAOYSA-N 366.398 3.772 0 40 FHAB O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)N1CCC[C@H](O)CC1 298396380 RAERKDASZGQHEG-BPUTZDHNSA-N 356.388 3.508 0 40 FHAB CCCCc1nnc(SCC(=O)Nc2cccc(Cl)c2C)n1C 408560887 QFTCABNEGBHDEN-UHFFFAOYSA-N 352.891 3.850 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc1 408623931 VKACTJAEBGXZGW-UHFFFAOYSA-N 371.286 3.681 0 40 FHAB CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2ccc(Br)cc2)C1 513761377 MSOJATDGAMKIFV-OAHLLOKOSA-N 353.304 3.576 0 40 FHAB COc1cc2c(cc1OC)[C@@H](NC(=O)CCn1ccc3ccccc31)CC2 524733879 YTFBJFOSSMRHOK-SFHVURJKSA-N 364.445 3.852 0 40 FHAB Cc1nnc(N(C)S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)s1 577253084 QAUKSIDJRFBJNC-UHFFFAOYSA-N 353.513 3.586 0 40 FHAB CC(=O)N1CC[C@H](NCCc2ccc(C)c(C)c2)[C@H](Cc2ccccc2)C1 585286470 RBYHCVRJMUKWEH-RPWUZVMVSA-N 364.533 3.915 0 40 FHAB Cc1sc(NC(=O)[C@H]2CCC(=O)c3ccccc32)nc1Br 1121286659 KPXAZRMTFKHQCJ-NSHDSACASA-N 365.252 3.913 0 40 FHAB CC(=O)Nc1cccc(CC(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1 1153084083 UTQGHNGJNJJQLQ-UHFFFAOYSA-N 353.205 3.839 0 40 FHAB Cc1ccc(C)c(CN2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)c1 1203747066 APRJOSQMNSKVKY-UHFFFAOYSA-N 364.489 3.701 0 40 FHAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCc3c(Cl)cccc32)c1 1543727306 DBDRTJQMWMHXBU-INIZCTEOSA-N 356.809 3.587 0 40 FHAB COc1cccc(NC(=O)N2CCC[C@H](COc3cccc(C)n3)C2)c1 1775969351 MMHQWUSDLRGCEA-INIZCTEOSA-N 355.438 3.722 0 40 FHAB Cc1nc(CN2[C@H]3CC[C@H]2CC(n2cc(Br)cn2)C3)cs1 1776009859 VCANBKCWKVUJCR-KBPBESRZSA-N 367.316 3.779 0 40 FHAB COc1ccc(CN2CC[C@@H](Oc3ccncc3Br)C2)cc1 1849457982 FPLPDSTWWZIISM-OAHLLOKOSA-N 363.255 3.506 0 40 FHAB O=C(c1ccccc1Cl)N1CC[C@H]2[C@@H](COCCN2c2ccccc2)C1 2037985751 VGCKWEYONUQPMY-UZLBHIALSA-N 370.880 3.708 0 40 FHAB O=C(N[C@@H]1CCO[C@]2(CCN(CC3CCCCC3)C2)C1)c1ccccc1 2055835113 YCSYRBRJLPMKIF-IFMALSPDSA-N 356.510 3.620 0 40 FHAB O=C(NC[C@@]1(O)CSCc2ccccc21)c1ccccc1C(F)(F)F 2087154453 SOMRZYHFGRKUQH-QGZVFWFLSA-N 367.392 3.570 0 40 FHAB Cc1nn(C)c(Cl)c1S(=O)(=O)Oc1ccccc1-c1ccccc1 47332148 UVZQYRRQYYJYTH-UHFFFAOYSA-N 362.838 3.817 0 40 FHAB Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4nncs4)cc3)o2)c1 22992487 TYQDBCVPEQOTAO-UHFFFAOYSA-N 363.402 3.816 0 40 FHAB CN(C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1ccc(C(N)=O)cc1 79243384 XGUILFHXPAYUFG-CABCVRRESA-N 362.351 3.571 0 40 FHAB C[C@@H](NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)c1ccccc1 2940089 DLCCUHZGZIOGSR-VQIMIIECSA-N 352.434 3.665 0 40 FHAB COc1cccc(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)c1 947535 RMXMVWHLXQEZCS-UHFFFAOYSA-N 354.353 3.841 0 40 FHAB O=S1(=O)N=C(Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc21 944401 LQXHQENAGQLARW-UHFFFAOYSA-N 360.744 3.920 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc(F)cc2)o1 4184425 KEPADJXVQFKLBL-LBPRGKRZSA-N 369.421 3.946 0 40 FHAB O=C(CCN1CCCC1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 4942317 IFPJKGLYRZPIDJ-OAHLLOKOSA-N 359.520 3.973 0 40 FHAB Cc1ccccc1N1C[C@H](C(=O)Nc2nc3ccccc3s2)CC1=O 4975528 PMYKKNMWHAGJAJ-CYBMUJFWSA-N 351.431 3.596 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)[nH]2)cc1 6141936 VFUMYFPHSFSPGQ-UHFFFAOYSA-N 368.462 3.828 0 40 FHAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCSCc1ccccc1F 7637998 XSGVRSKVDDEUJH-SOFGYWHQSA-N 359.422 3.617 0 40 FHAB CCN(CC)[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2)c1ccccc1 84771160 UHKIBAGCAUJRGU-FQEVSTJZSA-N 351.450 3.593 0 40 FHAB Cc1cc(Br)cc(C)c1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100397606 SUWDGXUJCJKDOO-JQOWZUPLSA-N 372.262 3.623 0 40 FHAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@H]21 100184668 QFKKOOAREIAMNX-WMHQRMGPSA-N 358.235 3.707 0 40 FHAB Cc1cnc2c(S(=O)(=O)Nc3ccccc3OC(F)F)cccc2c1 12544931 XEFFHMFIFQXGHR-UHFFFAOYSA-N 364.373 3.945 0 40 FHAB O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)Nc1ccccc1F 3228150 XHJKYRULWIRERH-UHFFFAOYSA-N 364.376 3.658 0 40 FHAB CNC(=O)c1cc([C@H]2CC[C@H](CNC(=O)C(C)C)CC2)nc2ccccc12 100657993 ABMIEXOJXRHRKW-IYBDPMFKSA-N 367.493 3.640 0 40 FHAB CC(C)S(=O)(=O)[C@@H](C)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 58213919 IKXPIULLMCUXGX-ZDUSSCGKSA-N 372.446 3.645 0 40 FHAB Cn1ccnc1COc1ccc(C(=O)Nc2nc(C3CC3)cs2)cc1 48230769 AHVBGKKNUBXOOJ-UHFFFAOYSA-N 354.435 3.585 0 40 FHAB O=C(Nc1ccc2ccccc2n1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 12756144 LWYYWGPKRDKMQU-SFHVURJKSA-N 361.401 3.605 0 40 FHAB CCN(CC)c1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1 2367106 GRDARVOPISUYDF-UHFFFAOYSA-N 350.451 3.761 0 40 FHAB CCCCn1cc2c(c1-c1ccc(C(C)(C)C)cc1)c(=O)n(C)c(=O)n2C 2414907 SKDWOHNOWBQVFJ-UHFFFAOYSA-N 367.493 3.803 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1C(=O)O 28940216 IPJCHKROVVVYOH-UHFFFAOYSA-N 359.325 3.513 0 40 FHAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 29797587 HQRKSMKCFCDICB-SFHVURJKSA-N 363.417 3.702 0 40 FHAB Cc1cccc(NC(=O)CN(C)C(=O)CCC(=O)c2ccc(F)cc2)c1C 12821233 KCVIBNRFVMMPOX-UHFFFAOYSA-N 370.424 3.503 0 40 FHAB CCn1ncc(-c2ccnc3c4c(C)cc(C(F)(F)F)nc4nn23)c1C 2788029 LFNVVZDMSWANDO-UHFFFAOYSA-N 360.343 3.797 0 40 FHAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cccc(F)c1)O[C@H](C)C2 12811866 SNINPLQKHZOLSS-OLZOCXBDSA-N 358.413 3.987 0 40 FHAB C[C@@H](SC1=Nc2ccccc2CS1)C(=O)NC(=O)NC(C)(C)C 12885578 UKLYQYRJZLFNEX-SNVBAGLBSA-N 351.497 3.667 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2oc3ccccc3c2C)c1C 3550060 YCMZHDINYNTAKD-UHFFFAOYSA-N 353.374 3.928 0 40 FHAB Cc1ccc(NC(=O)CN(C)C(=O)Cc2c(Cl)cccc2Cl)cc1 3555524 DWCXQMOFPTWPQV-UHFFFAOYSA-N 365.260 3.941 0 40 FHAB Cc1ccc(CNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 12995542 DUFTZEICNGOCJE-VAWYXSNFSA-N 362.473 3.563 0 40 FHAB CCC1CCC2(CC1)NC(=O)N(Cc1cc(-c3ccccc3)on1)C2=O 12908522 SBPINMBPZQFLOV-UHFFFAOYSA-N 353.422 3.732 0 40 FHAB CCCN1C(=O)N/C(=C/c2cc(Cl)c(O[C@@H](C)CC)c(OC)c2)C1=O 409242385 ROZUFNZOXYJBIO-LUHPIMIVSA-N 366.845 3.829 0 40 FHAB CCN1C(=O)COc2ccc(-c3csc(NC(=O)C(C)(C)C)n3)cc21 19796472 MBZKUDYICASCEE-UHFFFAOYSA-N 359.451 3.540 0 40 FHAB O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccccc2)oc1NC1CC1 39844621 UCJIYUUGMACMCD-UHFFFAOYSA-N 358.394 3.888 0 40 FHAB CN(C)C(=O)[C@@H](c1ccccc1)N(C)Cc1ccc(Br)cc1 39985894 OSDJFMYLRWVEGC-QGZVFWFLSA-N 361.283 3.710 0 40 FHAB COc1ccccc1-c1n[nH]c(SCC(=O)Nc2c(C)cccc2C)n1 9489318 JMEQCGCSBFUFQC-UHFFFAOYSA-N 368.462 3.828 0 40 FHAB COc1cccc(-c2nnc3n2N=C(c2ccc(Cl)cc2)CS3)c1 4586141 IOSZJZQOYOHHOG-UHFFFAOYSA-N 356.838 3.965 0 40 FHAB O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)c1c[nH]c2ccccc12 9434928 HSRJVVCYZZQPFA-UHFFFAOYSA-N 361.426 3.893 0 40 FHAB COc1ccccc1-c1noc(CCC(=O)Nc2cc(C)ccc2C)n1 5562923 VKSLTFLQKJPFRQ-UHFFFAOYSA-N 351.406 3.933 0 40 FHAB Cc1ccc(-n2c(S[C@@H]3CCOC3=O)nnc2-c2ccccc2)cc1 4840808 BLCFVYFPSUPXCO-MRXNPFEDSA-N 351.431 3.650 0 40 FHAB CN(C)c1ccc(C[C@@H]2C(=O)N(C)c3ccc(Br)cc32)cc1 15017823 SWPOOULXYWUCTB-INIZCTEOSA-N 359.267 3.818 0 40 FHAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CCOc1ccccc1Cl)C2=O 7004244 RXCZVBUCMBUYPA-ORAYPTAESA-N 364.873 3.856 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 7406724 WSXHOCJFXLWKHJ-UHFFFAOYSA-N 373.865 3.927 0 40 FHAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCCc1c(Cl)cccc1Cl 71822633 DSAFCKIMONQDDH-PIGZYNQJSA-N 366.244 3.881 0 40 FHAB CCOC(=O)c1ccc(NC(=O)C2=Cc3cc(OC)ccc3OC=C2)cc1 15838771 SRWVEYCTCHCNMG-UHFFFAOYSA-N 365.385 3.800 0 40 FHAB Brc1ccc([C@H]2C[C@H](c3cccs3)n3nnnc3N2)s1 15866380 WNEVZIOUBIOQKQ-HTQZYQBOSA-N 368.285 3.705 0 40 FHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)Cc1c(Cl)cccc1Cl 7645130 RTAYQESOXNEJIT-UHFFFAOYSA-N 366.244 3.966 0 40 FHAB CN(CC(N)=O)c1nc(-c2ccccc2)nc2scc(-c3ccccc3)c12 83857447 KSFQTXLYAIJDCS-UHFFFAOYSA-N 374.469 3.947 0 40 FHAB COc1cccc(C2c3c(cc(C)oc3=O)Oc3cc(C)oc(=O)c32)c1 16756446 CKHYULNRCSNQBM-UHFFFAOYSA-N 352.342 3.504 0 40 FHAB C[C@@H](OC(=O)c1nc(Cl)ccc1Cl)C(=O)NCC1CCCCC1 9646141 ZLINDVVIYBLZSO-SNVBAGLBSA-N 359.253 3.630 0 40 FHAB COc1ccccc1OCCSc1nc(-c2ccccc2)cc(=O)[nH]1 9669147 ZFGNDHUFGIDNQL-UHFFFAOYSA-N 354.431 3.617 0 40 FHAB CCONC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12 9725625 MRCZJTOSXRRRRU-UHFFFAOYSA-N 352.390 3.600 0 40 FHAB COC(=O)c1cc(CNC(=O)[C@H](C)Sc2ccc(C)cc2)ccc1OC 18069455 MJOIVSNSVGSWHQ-AWEZNQCLSA-N 373.474 3.587 0 40 FHAB Cc1csc(-n2c(C)cc(C(=O)CSc3nncs3)c2C)n1 8762283 PNDGMAFZFLYSGE-UHFFFAOYSA-N 350.494 3.686 0 40 FHAB C[C@@H]1CN(c2ccccc2NC(=O)c2c(O)cc(F)cc2F)C[C@@H](C)O1 95956703 SXYLSPPRHSTDFS-VXGBXAGGSA-N 362.376 3.536 0 40 FHAB Cc1ccc(CN(C(=O)[C@@H](C)Oc2cccc(CO)c2)C2CC2)cc1C 89643197 YFPCXBSKEFUCEN-QGZVFWFLSA-N 353.462 3.754 0 40 FHAB C[C@H]1CCCN(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)[C@@H]1CO 89868990 GYCCSDVKGLPIBJ-SUMWQHHRSA-N 351.878 3.565 0 40 FHAB CCN(CC)Cc1ccc(CNC(=O)[C@H]2CCCN2C2CCCC2)cc1 89969001 WBXGORCVEWFAKV-OAQYLSRUSA-N 357.542 3.552 0 40 FHAB Cc1cccc2[nH]c(CCC(=O)N3CCc4c([nH]c5ccccc45)C3)nc12 89914883 OPLGEABMTOMKKY-UHFFFAOYSA-N 358.445 3.870 0 40 FHAB COC(=O)c1sccc1NC(=O)N(Cc1ccc(OC)cc1)C1CC1 25078385 YURJKGFVVQYFBN-UHFFFAOYSA-N 360.435 3.740 0 40 FHAB CC(C)c1ccccc1NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 409130157 LWXLTKGJJMHWIM-HNNXBMFYSA-N 360.479 3.603 0 40 FHAB CCOc1ccc(-c2nonc2NC(=O)Cc2ccc(OC)cc2)cc1C 27746505 VQYRWXHSKMPLDJ-UHFFFAOYSA-N 367.405 3.634 0 40 FHAB CCOc1ccc(C(=O)N(C)Cc2nnc(-c3ccc(C)cc3)o2)cc1 408713920 CRBFIYNAKUUKLA-UHFFFAOYSA-N 351.406 3.716 0 40 FHAB C[C@H](NC(=O)C(=O)NCC(c1ccccc1)c1ccccc1)c1ccccc1 408707285 MFGIIBLWOBKMPM-SFHVURJKSA-N 372.468 3.812 0 40 FHAB COCc1sccc1C(=O)N(CCN(C)C(=O)OC(C)(C)C)C(C)C 1558434487 HKZRPDGXUULQDZ-UHFFFAOYSA-N 370.515 3.612 0 40 FHAB O[C@H](COc1ccccc1-n1ccnc1)CO[C@@H]1CCCc2ccccc21 550175320 XNZKNZKQDAGDIZ-GHTZIAJQSA-N 364.445 3.706 0 40 FHAB O=C(N[C@@H]1CC=CC[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 2583304 WYVXOQUBSSBXKD-AZUAARDMSA-N 363.413 3.945 0 40 FHAB biogenic CCOC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 33717438 PJAROTYQLXEJMQ-UHFFFAOYSA-N 367.854 3.934 0 40 FHAB CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1snc(O)c1Cl 555550840 CLJIRGUXWILWNF-UHFFFAOYSA-N 366.748 3.673 0 40 FHAB Cc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3cccc(C)c3C)n2)c1 78579677 PMFGITBCUHVVMF-INIZCTEOSA-N 365.433 3.746 0 40 FHAB CNC(=O)c1sc2ccccc2c1[C@H]1CCN(c2nc(C)cc(C)n2)C1 72352408 ZHPABZDYTOPSBC-AWEZNQCLSA-N 366.490 3.662 0 40 FHAB CC(C)c1nnc2n1CCN(C(=O)Cc1ccc(-c3ccccc3)cc1)CC2 14967614 VBVKOSUNBUFQNO-UHFFFAOYSA-N 374.488 3.696 0 40 FHAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 72601038 HTYSHGIWTLMXLB-QGZVFWFLSA-N 369.534 3.866 0 40 FHAB CC(C)CCNC(=O)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 38487494 VZPLNOLPGLKEKR-UHFFFAOYSA-N 369.856 3.759 0 40 FHAB CCOC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 33773809 QNPSGQJKHWNBAQ-UHFFFAOYSA-N 367.854 3.934 0 40 FHAB Cc1ccccc1OC[C@@H](C)NC(=O)COc1ccc2c(c1)CCCC2 225689239 VMCALTRNBKVWBG-QGZVFWFLSA-N 353.462 3.836 0 40 FHAB CCCCOCc1cc(C(=O)NCCc2ccc(OC)cc2)ccc1OC 224434692 KLMULIZJUWGXND-UHFFFAOYSA-N 371.477 3.993 0 40 FHAB CCc1c(C)nc2n(c1=O)CN(CCc1ccccc1)CN2c1ccccc1 40308057 ZELWXNSZWXVMAR-UHFFFAOYSA-N 374.488 3.726 0 40 FHAB COCCNC(=S)Nc1ccc(Sc2ccc(Cl)cc2)nc1 223886678 UEWPHIANCWXVJJ-UHFFFAOYSA-N 353.900 3.819 0 40 FHAB CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(SC)cc1 224978812 MZJQLZHFBBNOOZ-UHFFFAOYSA-N 367.492 3.641 0 40 FHAB C[C@H](C(=O)NCCCc1cccc(F)c1)N1C(=O)CCCc2ccccc21 227169277 CQLKSIABWHALCC-MRXNPFEDSA-N 368.452 3.633 0 40 FHAB Cc1ccccc1CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NC(C)C 225496138 AUQJOBBUYIMMJP-LJQANCHMSA-N 366.505 3.788 0 40 FHAB CC(C)(Br)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 225594307 XVQRWNWTRBOUNV-UHFFFAOYSA-N 369.303 3.663 0 40 FHAB CCCC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC 225641770 FVMLNWLPUIBYIW-IBGZPJMESA-N 372.896 3.826 0 40 FHAB Cc1ccccc1OCC(=O)Nc1ccccc1Sc1ncccn1 1586529089 MDLISECNXJYJEV-UHFFFAOYSA-N 351.431 3.954 0 40 FHAB CCN(CC)C(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1 47081063 DORGHJVMPSQWSQ-UHFFFAOYSA-N 360.841 3.840 0 40 FHAB CCOc1ccc(C(=O)NCCN(C)c2ccc(C)cc2)cc1OCC 225066755 ZIGJUKZOFAATBV-UHFFFAOYSA-N 356.466 3.659 0 40 FHAB COc1ccc(C[C@H]2CN(C(=O)c3ccc(F)cc3)CC[C@H]2OC)cc1 96110245 AYNQCYZYZWBKKU-FXAWDEMLSA-N 357.425 3.554 0 40 FHAB Cc1ccccc1C1(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CCCC1 585085248 SGRCVFZCBUDNBI-SFHVURJKSA-N 353.466 3.821 0 40 FHAB Cn1cncc1-c1cccc([C@H]2CCCN2Cc2cccc(C(=O)O)c2)n1 257279316 OGAMLUBVOWXLGC-LJQANCHMSA-N 362.433 3.517 0 40 FHAB C[C@H](O)[C@@]1(O)C[C@@H]2[C@@H]3CC[C@]4(C)C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)C1 253617623 ZOTNOPONJVMHKM-SBISDMSGSA-N 350.543 3.892 0 40 FHAB CN(C)C(=O)Oc1ccc(Sc2ccc(OC(=O)N(C)C)cc2)cc1 255189726 RRCQLDWJRDJXIP-UHFFFAOYSA-N 360.435 3.959 0 40 FHAB Cc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCCF)cc2)c(C)c1 257310107 UDSAFBGYWJRCHM-LJQANCHMSA-N 361.457 3.523 0 40 FHAB Cc1ncsc1CN1CCN(C)C[C@H](Cc2cccc3cccnc23)C1 257232499 GLCFYUSOKQDYGX-KRWDZBQOSA-N 366.534 3.606 0 40 FHAB CCN(Cc1ccccc1)c1nn(-c2ccc(C)cc2C)nc1C(=O)O 256048870 WTGNTDBDVJZQRZ-UHFFFAOYSA-N 350.422 3.609 0 40 FHAB NC(=O)c1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)nc1 63453331 YTCCLFUGKUAKAN-UHFFFAOYSA-N 374.425 3.710 0 40 FHAB Cc1ccc(Nc2nc([C@@H]3CCCN(Cc4c[nH]cn4)C3)cs2)nc1 257297100 RFVPHXUZLHARCJ-CQSZACIVSA-N 354.483 3.693 0 40 FHAB CO[C@](C)(C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1)C1CC1 260812332 AMILESRALIBYPF-KKSFZXQISA-N 360.498 3.551 0 40 FHAB Cc1ccc(Cc2nnc(NC(=O)[C@@H]3[C@H]4Cc5ccccc5[C@@H]43)s2)cc1 625385513 BVGDXLURHABGLB-YTQUADARSA-N 361.470 3.962 0 40 FHAB COc1cccc(C2(NC(=O)c3cc(C(F)(F)F)cnc3O)CCC2)c1 636235642 IHNBDKRSPHTLQT-UHFFFAOYSA-N 366.339 3.624 0 40 FHAB Brc1ccc(Oc2ncccn2)c(CN2CCSCC2)c1 575423364 MLVNERUGKXZMCL-UHFFFAOYSA-N 366.284 3.580 0 40 FHAB COc1ccc([C@@H](NC(=O)c2ccc(Cl)cc2)c2nccn2C)cc1 12560432 YUVIXCIWSOEVGU-QGZVFWFLSA-N 355.825 3.602 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2cc(C)nn2Cc2ccccc2)c1 13701312 PCMYKOYLBGVUFT-UHFFFAOYSA-N 351.406 3.509 0 40 FHAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)C3CCCC3)C1)N2 19127564 OTFRQDFJPSPSBA-HRCADAONSA-N 366.456 3.611 0 40 FHAB Fc1ccc(Cn2nnnc2[C@@H](c2cccs2)N2CCCCCC2)cc1 19343045 QLYRCNUDUMNWHD-GOSISDBHSA-N 371.485 3.887 0 40 FHAB O=C(c1cc(Cn2cccn2)on1)N1C[C@H](c2ccccc2)c2ccccc21 508036690 FMHVYSMTACOOQM-LJQANCHMSA-N 370.412 3.712 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cccc3ccccc23)c1C 3331736 VLSZFYLZLLZFKK-UHFFFAOYSA-N 364.401 3.783 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)COc1ccccc1Br 6000015 HRPJEJDWJBPSFL-AWEZNQCLSA-N 362.267 3.965 0 40 FHAB COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)NCC3CCCCC3)n2)cc1 6141787 WKDIUQZHJSYHQN-CYBMUJFWSA-N 374.510 3.657 0 40 FHAB CSc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)cc(C(C)(C)C)n1 1888972903 MBDNGFQIGLBFOU-UHFFFAOYSA-N 366.531 3.553 0 40 FHAB O=C(CSc1ccc(F)cc1)NCCc1cnc(-c2ccccc2)nc1 252522898 BJGCNTLWHHEPJX-UHFFFAOYSA-N 367.449 3.734 0 40 FHAB COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)Nc1cccc(C)c1C 1016447 WAJFHTRGGWGDTM-LJQANCHMSA-N 365.433 3.579 0 40 FHAB Cc1cccc(N2C(=O)C[C@@H](c3cccc(Cl)c3)C3=C2COC3=O)c1 1429379 DMLXNSWLMMBXKK-INIZCTEOSA-N 353.805 3.980 0 40 FHAB Cc1ccc(NC(=O)CSc2ccc(-c3cccnc3)nn2)cc1F 4392073 RYHZUKUJZPUMOQ-UHFFFAOYSA-N 354.410 3.717 0 40 FHAB CNC(=O)c1c(NC(=O)c2ccc3c(c2)CCCC3)sc2c1CCC2 4335445 RYAXVVIWKOPHGD-UHFFFAOYSA-N 354.475 3.728 0 40 FHAB CSc1ccccc1NC(=O)N[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 5188284 OVOATRWAQDRMCS-HNNXBMFYSA-N 369.490 3.952 0 40 FHAB CCOc1ccccc1C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 5154022 YGSOZJFXWBLIPA-UHFFFAOYSA-N 350.418 3.563 0 40 FHAB COc1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1N1CCCC1=O 5440867 YDTDBBWTZNMFNC-UHFFFAOYSA-N 368.433 3.862 0 40 FHAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)o2)cc1 10188219 KLGQOPRPSHFRJY-UHFFFAOYSA-N 354.435 3.986 0 40 FHAB CCOCC(=O)Nc1cc(C)nn1-c1nc(-c2ccc(C)cc2)cs1 12441876 ZVXTZXQOLMAMAR-UHFFFAOYSA-N 356.451 3.588 0 40 FHAB O=C(NCc1ccc(F)cc1)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 22504320 UHIUWBZCFFTTRR-UHFFFAOYSA-N 367.424 3.837 0 40 FHAB Cc1cc(C)cc(N2C(=O)[C@H]3N=NN(c4ccc(C)c(Cl)c4)[C@@H]3C2=O)c1 101260765 YNEGTWITNLBRJH-IRXDYDNUSA-N 368.824 3.763 0 40 FHAB Cn1ccnc1CN(C(=O)c1cc(-c2cccc(Cl)c2)no1)C1CC1 58227671 RHHAXBIWOBPUDF-UHFFFAOYSA-N 356.813 3.533 0 40 FHAB CCN(CC)CC(=O)N1N=C(c2ccsc2)C[C@@H]1c1ccc(F)cc1 40158493 CPLGMVGPGHLIGO-GOSISDBHSA-N 359.470 3.907 0 40 FHAB Cc1ccc(C(C)C)cc1OCC(=O)Nc1cccc(-c2nncn2C)c1 31808921 TXUNQDHQUCHGCU-UHFFFAOYSA-N 364.449 3.931 0 40 FHAB CCc1c(C(=O)Nc2cccc(C(=O)N(CC)CC)c2)[nH]c(C)c1C(C)=O 51291772 PUALLDLZGMMIHR-UHFFFAOYSA-N 369.465 3.822 0 40 FHAB C[C@H](NC(=O)c1ccccc1I)[C@@H]1C[C@H]2CC[C@H]1C2 102186452 PTUYHISFNRTITL-MNXVOIDGSA-N 369.246 3.846 0 40 FHAB O=C1COc2cc(NC(=O)c3nc(Cl)ccc3Cl)c(Cl)cc2N1 32818698 AKBNACHMOZLFPL-UHFFFAOYSA-N 372.595 3.625 0 40 FHAB Cc1ccc(OCC(=O)NCCc2ccc(F)cc2)c2c1[C@H](C)CC2=O 22134737 DNGIDXHKFMHLJL-CQSZACIVSA-N 355.409 3.562 0 40 FHAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccccc1CCc1ccccc1 22373226 OYQNXUFWDOQXEA-UHFFFAOYSA-N 369.428 3.700 0 40 FHAB CCn1c([C@@H]2CCCN(C(=O)C[C@H]3CCC[C@H](C)C3)C2)n[nH]c1=S 78622260 CUSIXJUCROFWJL-SOUVJXGZSA-N 350.532 3.883 0 40 FHAB CCN(CC)CCOC(=O)[C@@](O)(c1ccccc1)c1cc(C)c(C)c(C)c1 1710838 JFYUMVGJTVQVPI-HSZRJFAPSA-N 369.505 3.733 0 40 FHAB CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NCc1cnn2ccccc12 84456913 XLZCXPWSRGMEFJ-FQEVSTJZSA-N 360.502 3.753 0 40 FHAB O=S(=O)(Nc1ccc(OC(F)F)cc1)c1ccc(F)c(Cl)c1 6352471 UQAGLNGBTYEKAF-UHFFFAOYSA-N 351.733 3.881 0 40 FHAB CCCN1C(=O)c2[nH]nc(-c3cccc(OC)c3)c2[C@@H]1c1cccc(O)c1 6747891 LORSLIAMKIJKRH-FQEVSTJZSA-N 363.417 3.746 0 40 FHAB COc1cccc2c(C)nc(Nc3ncc4c(n3)CC(C)(C)CC4=O)nc12 6921950 RVSHRIDMAHOOJF-UHFFFAOYSA-N 363.421 3.636 0 40 FHAB COc1cc(/C=C/C(=O)OCCOc2ccccc2C)cc(OC)c1OC 7507113 SZCLLGDEIULDMY-MDZDMXLPSA-N 372.417 3.656 0 40 FHAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2cccc(C)c2C)CC1=O 7610029 DZJIYZIHVBECOC-AWEZNQCLSA-N 372.852 3.957 0 40 FHAB CCOC(=O)Nc1cccc(C(=O)NC2(c3noc(C)n3)CCCCC2)c1 55334007 WYNSJMNAEIFJRZ-UHFFFAOYSA-N 372.425 3.536 0 40 FHAB CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC)c(OC)c1)OC(=O)C2 1322382 SYDVWEJWGRBYBY-OAQYLSRUSA-N 372.417 3.690 0 40 FHAB biogenic CCc1ccc(OCC(=O)N(CC)Cc2nc(-c3cccs3)no2)cc1 28189398 FNUPIOYPORIPQV-UHFFFAOYSA-N 371.462 3.788 0 40 FHAB OC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)NC2CC2)CC1 1459883 FWKMRRIHHQWNNZ-UHFFFAOYSA-N 366.530 3.671 0 40 FHAB Cc1ccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1-n1cccc1 25331825 CQWQGWIBLWTBKZ-IBGZPJMESA-N 353.491 3.880 0 40 FHAB COC(=O)Nc1ccc(N[C@H](C(=O)N2CCCC2)c2ccccc2)cc1 56187305 BFEKQYBCQHBJFR-SFHVURJKSA-N 353.422 3.641 0 40 FHAB O=C(CCn1c(=O)oc2ccccc21)N1CCSc2ccc(Cl)cc21 57991371 ASXQWVYVQZBQMI-UHFFFAOYSA-N 374.849 3.777 0 40 FHAB CN(Cc1ccccc1Cl)C(=O)/C=C/c1cn(Cc2ccccc2)nn1 8941564 CHHBDHCFEJXJFY-VAWYXSNFSA-N 366.852 3.652 0 40 FHAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC(C3CC3)C3CC3)c12 27095601 QBTWWRVKJOCSGE-UHFFFAOYSA-N 366.490 3.924 0 40 FHAB CC1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1 12604796 AMNASHNHPBDBLZ-UHFFFAOYSA-N 372.490 3.796 0 40 FHAB CC[C@@H](OC(=O)c1c(C)nc2ccccc2c1C)C(=O)Nc1cc(C)on1 12600777 MROQUFNSVQJUFZ-MRXNPFEDSA-N 367.405 3.722 0 40 FHAB CC(C)c1ccc(-c2nc(C(=O)N[C@@H](C)CN3CCOC3=O)cs2)cc1 58438486 SFAGCRDVJXYISH-ZDUSSCGKSA-N 373.478 3.504 0 40 FHAB CC(C)c1ccccc1NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O 3365126 AKVMYSBCVKYADG-UHFFFAOYSA-N 371.481 3.783 0 40 FHAB CC(C)CN1CCC(NC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)CC1 45463759 NPNVKSVYRLHHQU-UHFFFAOYSA-N 371.447 3.967 0 40 FHAB O=C(COc1ccc(F)cc1)Nc1ccc(N2CCCC2=O)c(Cl)c1 11417943 XNCFVVFVZCQHGP-UHFFFAOYSA-N 362.788 3.623 0 40 FHAB Cc1nc(/C=C/C(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)cs1 29174371 LZYVYQGASSGLQH-NDDJGDGRSA-N 369.534 3.664 0 40 FHAB CC(C)[C@@H](CNC(=O)c1cccnc1Cl)N1CCc2ccccc2C1 29173734 VUDNZUREYDJDIA-GOSISDBHSA-N 357.885 3.548 0 40 FHAB COC[C@H](C)Nc1ncnc2c1cnn2-c1ccc(Cl)c(Cl)c1 10386419 ZXKRUUYCZJEUPF-VIFPVBQESA-N 352.225 3.569 0 40 FHAB O=C(CNc1cccc2c1CCCC2)Nc1cccc(C(=O)NC2CC2)c1 11549596 AGTNWAHDMHMMMV-UHFFFAOYSA-N 363.461 3.508 0 40 FHAB CCOC(=O)/C(=C/N(C)C)Sc1ncc(C(F)(F)F)cc1Cl 64220257 IEUAGZGULCCDBS-YFHOEESVSA-N 354.781 3.812 0 40 FHAB COc1cc(C(=O)NCc2cccs2)ccc1OCc1c(C)noc1C 2640484 ZDBMQLSYUMPRQL-UHFFFAOYSA-N 372.446 3.871 0 40 FHAB O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc(F)c(F)c1F 2644613 HAIAWTUMJIHCGW-UHFFFAOYSA-N 362.395 3.997 0 40 FHAB C[C@@H]1CCc2ccccc2N1C(=O)CSc1nc(C2CCCC2)n[nH]1 12104336 KJHKGAQQHQPQPC-CYBMUJFWSA-N 356.495 3.922 0 40 FHAB O=C(Nc1ccc(Cl)cn1)c1cc2nccc(-c3ccc(F)cc3)n2n1 2792311 ZXZOBHOGDBVUQY-UHFFFAOYSA-N 367.771 3.836 0 40 FHAB Cc1cc(Cl)ccc1OCCCC(=O)OCC(=O)N1CCCCCC1 3515597 LYSAVNIILXOXDX-UHFFFAOYSA-N 367.873 3.753 0 40 FHAB CCc1ccccc1NC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 3958730 IKLKNBSVNOLLER-IBGZPJMESA-N 364.445 3.898 0 40 FHAB CCOC(=O)[C@H]1CCCN(c2nc(CC)nc3c2oc2ccccc23)C1 13779297 QXTHPIXUOZYZFP-ZDUSSCGKSA-N 353.422 3.718 0 40 FHAB C[C@H](Sc1nnc(Cc2ccccc2)o1)c1nc2ccccc2c(=O)[nH]1 6105306 OLOLTVHEYYVMTD-LBPRGKRZSA-N 364.430 3.750 0 40 FHAB CCc1ccccc1N1C[C@H](C(=O)Nc2cc(Cl)ccc2OC)CC1=O 4385098 UQQANYAZTJPALV-CQSZACIVSA-N 372.852 3.903 0 40 FHAB CCC[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1 14230269 UACSEOSCAUJUBO-JOCHJYFZSA-N 366.505 3.719 0 40 FHAB COc1ccc(NC(=O)N[C@H]2CCCc3cn(CC(F)(F)F)nc32)cc1 96002683 AADTXBXMAWAUFA-AWEZNQCLSA-N 368.359 3.653 0 40 FHAB CCC(CC)NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 6531962 PPTYOVPNWVAAFQ-UHFFFAOYSA-N 358.511 3.601 0 40 FHAB CC[C@@H](C)C(=O)N1CCc2c([nH]c3ccccc23)[C@]12C(=O)Nc1ccccc12 6624633 ADZLPMYXNRDXAT-QKFKETGDSA-N 373.456 3.794 0 40 FHAB biogenic CCOc1cc([C@H]2N=C(O)c3c(sc4c3CCN(CC)C4)N2)ccc1O 6654904 BZYPFOJGBZDNAZ-KRWDZBQOSA-N 373.478 3.659 0 40 FHAB c1ccc2oc(C3=NN=C(NCc4ccc5c(c4)OCO5)SC3)cc2c1 6873473 CFBOHIHBSINCFL-UHFFFAOYSA-N 365.414 3.758 0 40 FHAB COc1ccc(OC)c(/C=C2\C(=O)Nc3ccc(Br)cc32)c1 15016063 QSRXALDTFFQNQH-ZSOIEALJSA-N 360.207 3.959 0 40 FHAB CC[C@H](NS(=O)(=O)c1c(C)noc1C)C12CC3CC(CC(C3)C1)C2 28323947 BFSKRUCWPDNOLB-KUNBBXKYSA-N 352.500 3.565 0 40 FHAB CN1CCC(N(C)[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 6936158 BWOUGFHYOSCTRB-HXUWFJFHSA-N 355.457 3.532 0 40 FHAB CCOc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)CC)cc1 9358727 FMXLOUQFOONHAR-UHFFFAOYSA-N 350.418 3.870 0 40 FHAB Cc1ccc(OCCNC(=O)Cc2csc(-c3cccs3)n2)cc1 9364321 YBZRXLCPXVSLOB-UHFFFAOYSA-N 358.488 3.918 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)Cc1c(C)noc1C 96231787 ZJQRXHSDWWPVKV-GOSISDBHSA-N 353.422 3.518 0 40 FHAB CCOc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2OC)cc1 7507793 PMNLUIYACLRXFE-UHFFFAOYSA-N 363.797 3.543 0 40 FHAB Cc1cc(C)c(Nc2nnc(SCC(=O)N(C)C)s2)c(Cl)c1 16328378 AMGNSSFGDGVZSI-UHFFFAOYSA-N 356.904 3.732 0 40 FHAB COc1ccccc1COC(=O)[C@H](NC(=O)c1ccc(C)cc1)C(C)C 7988903 NEBKICIKSTXQNG-LJQANCHMSA-N 355.434 3.501 0 40 FHAB C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)c1nc2ccccc2c(=O)[nH]1 8650285 KUWLNOGMLBALGS-CYBMUJFWSA-N 361.401 3.641 0 40 FHAB COc1ccc(CC(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1 8772649 XYEPGHYPLKOAEK-UHFFFAOYSA-N 367.367 3.633 0 40 FHAB Cc1nc(N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)c2c3c(sc2n1)CCC3 84271680 XVJBJPLNXLUQNK-GJZGRUSLSA-N 373.522 3.653 0 40 FHAB Cc1sc2ncn(CCC(=O)Nc3cccc4[nH]ccc34)c(=O)c2c1C 84065459 MWICOAXOXKLLEF-UHFFFAOYSA-N 366.446 3.585 0 40 FHAB CC(C)Oc1ccc(-c2nc(C(=O)NCC(C)(C)CCO)cs2)cc1 84621985 UEKCIPFVEIWGGA-UHFFFAOYSA-N 362.495 3.736 0 40 FHAB Cc1cc(C)n(-c2cncc(N[C@H]3CCCC[C@H]3OC3CCCC3)n2)n1 89595904 JYOVJNOIRGKLQG-ZWKOTPCHSA-N 355.486 3.961 0 40 FHAB Cc1cccc(OCCCCC(=O)N2CC[C@H](CN3CCCCC3)C2)c1 76041843 ZPZKNFFSTWRPQG-HXUWFJFHSA-N 358.526 3.879 0 40 FHAB COCc1c(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)oc2ccccc12 29836263 BBDJABXUMBDJBS-GOSISDBHSA-N 370.424 3.751 0 40 FHAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC(C(=O)OC)CC1 20451643 VGFWUXJQXWJVSU-HNNXBMFYSA-N 355.887 3.622 0 40 FHAB COc1cc(C(C)=O)ccc1OC(=O)COc1cccc2c1OC(C)(C)C2 28881091 OFEHLUKAMUXIBS-UHFFFAOYSA-N 370.401 3.596 0 40 FHAB Cc1ccccc1OCC(=O)NC[C@@H](c1cccs1)N1CCCCC1 27663925 GDFAWUPTAPFXKQ-KRWDZBQOSA-N 358.507 3.779 0 40 FHAB Cc1ccccc1OCc1ccc(C(=O)NCC(=O)Nc2ccccc2)o1 408560571 DKTLBDFGNQRWAG-UHFFFAOYSA-N 364.401 3.536 0 40 FHAB O=C(C[C@H](c1ccsc1)n1cccc1)N1CC[C@]2(O)CCCC[C@H]2C1 524732821 QHWXDGZRYGJATN-NLWGTHIKSA-N 358.507 3.683 0 40 FHAB CC(C)CCn1c(SCc2ccccc2F)nc2nccnc2c1=O 6818618 VWUPXDKTZOOTJG-UHFFFAOYSA-N 358.442 3.664 0 40 FHAB Clc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccccn3)n2)s1 72321978 PLILBMIEAVQGBQ-AWEZNQCLSA-N 360.870 3.760 0 40 FHAB biogenic,in-vitro COc1cccc(C(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)c1 36647256 IVHWFLHPYUAEHA-UHFFFAOYSA-N 361.397 3.772 0 40 FHAB CC(C)[C@H](CNC(=O)Nc1cccc(-n2cccn2)c1)N1CCCCCC1 62579947 FQQKFMFKJDQKPX-FQEVSTJZSA-N 369.513 3.894 0 40 FHAB Cc1cccc(-c2cncc([C@H]3CCCN(C(=O)Cc4ccccn4)C3)n2)c1 72359595 JNTOAEUKZSHPRR-IBGZPJMESA-N 372.472 3.796 0 40 FHAB CC(C)(C)c1ccc(NC(=O)NCC2CCN(c3cnccn3)CC2)cc1 70930747 MMMWVWNCTVXYEY-UHFFFAOYSA-N 367.497 3.812 0 40 FHAB O=C(O)[C@H]1CC(=O)N(c2ccc(Cl)c(-c3nc4ccccc4o3)c2)C1 45887405 CFUPMVWFAWPUSC-JTQLQIEISA-N 356.765 3.586 0 40 FHAB COc1ccc(CCC(=O)Nc2nc(-c3ccco3)cs2)cc1OC 40111440 JCPXFDQAPUXJLL-UHFFFAOYSA-N 358.419 3.992 0 40 FHAB Cc1ccc(NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)cc1Cl 222451043 ZAYOHYAZEOHMQT-UHFFFAOYSA-N 366.870 3.605 0 40 FHAB COc1ccc2cc(S(=O)(=O)Nc3cccc(C(C)=O)c3)ccc2c1 223343459 OHIAEUKJYRCANK-UHFFFAOYSA-N 355.415 3.852 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(C)cc2C)c1 222603289 FKCVULFDGOIBOB-JKSUJKDBSA-N 357.450 3.965 0 40 FHAB Cc1ccc(S[C@@H](C)C(=O)NCc2nc(-c3ccccc3)no2)cc1 43996176 FRGDNWLWSYEDLU-AWEZNQCLSA-N 353.447 3.842 0 40 FHAB COc1ccccc1OCCSc1nc2ccccc2c2nc(C)nn12 48363802 WLVAGKXBLFYLDM-UHFFFAOYSA-N 366.446 3.766 0 40 FHAB CCCc1ccc(NC(=O)COc2cccc(N3CCCC3=O)c2)cc1 96402245 AUDUCWBLJNCDQP-UHFFFAOYSA-N 352.434 3.783 0 40 FHAB Fc1ccc(CN2CCO[C@]3(CCCN(c4cccc(F)c4)C3)C2)cc1 96049080 QSMZYSCADJEFLM-OAQYLSRUSA-N 358.432 3.836 0 40 FHAB O=C(Nc1cccc(Cl)c1)C1CCN(C(=O)Cc2ccccc2)CC1 242416264 BHNPAZDCNLZAAI-UHFFFAOYSA-N 356.853 3.760 0 40 FHAB CC(C)(C)C(=O)N1CC[C@H](Cc2ccc(-c3ccc(C(=O)O)cc3)nc2)C1 257304980 SNYHUGVKANWCNZ-MRXNPFEDSA-N 366.461 3.884 0 40 FHAB C[C@]12CCCN(C(=O)c3ccnc(Cc4ccccc4)c3)[C@H]1CCCCN2 257271934 NAKAFWGCQFIFPJ-GMAHTHKFSA-N 363.505 3.809 0 40 FHAB COC(=O)N(Cc1ccccc1)[C@H](C(=O)NC(C)(C)C)c1ccccc1 255189435 PWQDZFOYXMZABA-SFHVURJKSA-N 354.450 3.911 0 40 FHAB CCCC[C@@]12Oc3c(OC)ccc4c3[C@@]13CCN(C)[C@@H](C4)C3=CC=C2OC 253505415 VIVDQLUAHPGFOS-RTFZILSDSA-N 367.489 3.985 0 40 FHAB biogenic,in-vitro O=C(c1cncs1)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257230977 GERYGBAJGPYIOP-AWEZNQCLSA-N 371.437 3.881 0 40 FHAB Cc1cc([C@H]2CCCN(C(=O)N[C@@H](C)c3cn(C(C)(C)C)nc3C)C2)[nH]n1 282785782 PFLMNFKCQHZJSW-HOCLYGCPSA-N 372.517 3.628 0 40 FHAB c1ccc(-n2cc(-c3nnc(COc4ccc5c(c4)CCC5)o3)cn2)cc1 1257978820 HMDRAAPUXJSYGO-UHFFFAOYSA-N 358.401 3.990 0 40 FHAB CC(C)(O)CCc1ccc2c(c1)CCN(Cc1cccc(C(=O)O)c1)C2 1776297475 GOUPSLMIRQETMA-UHFFFAOYSA-N 353.462 3.647 0 40 FHAB COc1ccccc1[C@@H](CNC(=O)c1ccccc1Br)OC 96384671 OFDDXQGETWLUMI-MRXNPFEDSA-N 364.239 3.575 0 40 FHAB FC(F)(F)c1cccnc1OC[C@@H]1CCCN(Cc2cccnc2)C1 1775995634 CHNHTSIAERKTRB-OAHLLOKOSA-N 351.372 3.786 0 40 FHAB CCCCN(C)C(=O)c1cccc(S(=O)(=O)N(CC)c2ccccc2)c1 57026557 DFSVTKDMWXXRIF-UHFFFAOYSA-N 374.506 3.774 0 40 FHAB Cc1nc(C)n(-c2ccccc2NC(=O)[C@H]2SCCc3ccccc32)n1 84280427 SCNFJBMLXXBXJG-IBGZPJMESA-N 364.474 3.853 0 40 FHAB CC(C)c1ccc(CN(C(=O)c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 5254169 WCBZRRPELDVFGD-HXUWFJFHSA-N 371.502 3.640 0 40 FHAB Cc1ccc2nc(C)c(C(=O)NCC(=O)Nc3cccc(C)c3C)cc2c1 12921049 UPZHARFCPNFSMH-UHFFFAOYSA-N 361.445 3.837 0 40 FHAB Cc1cc(C(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)c2ccccc2n1 12937211 KMOXNHISFAWTLR-SIIHOXLZSA-N 354.450 3.783 0 40 FHAB COc1cc(OC)cc(-c2nnc(S)n2-c2ccnc3ccccc23)c1 15109830 FYRDTRKZTJXTIS-UHFFFAOYSA-N 364.430 3.788 0 40 FHAB COc1cc(CNC(=O)/C=C/c2ccc(Cl)cc2)cc(OC)c1OC 15137034 HTRKXVBDFHZZPK-RMKNXTFCSA-N 361.825 3.695 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(Br)o2)c1 18204412 YDSIFBMSVLDJSS-VIFPVBQESA-N 354.200 3.550 0 40 FHAB CCCSc1nnc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)s1 7345367 UJGMHBYJCKZLQA-SOFGYWHQSA-N 365.480 3.709 0 40 FHAB O=C(O)c1cccc(CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)c1 20375154 DEWNZGHOWHPWGQ-UHFFFAOYSA-N 372.471 3.854 0 40 FHAB CC1CCN(C(=O)COC(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 3307833 AXCCLQKLXZJFQD-HWKANZROSA-N 356.249 3.808 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)Cc1ccc(Cl)cc1Cl 6353800 MYYJWJZQVGYYBG-IAQYHMDHSA-N 358.265 3.774 0 40 FHAB O=C(O)c1cc2ccccc2cc1NS(=O)(=O)c1cc(F)cc(F)c1 13269177 TYADSVBJURRHGR-UHFFFAOYSA-N 363.341 3.617 0 40 FHAB CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3ccc(C)cc3s2)cc1 10252970 NEZMOQNWLSOKDB-UHFFFAOYSA-N 374.487 3.580 0 40 FHAB CN(C)c1ccc(CCNC(=O)COc2ccc(Cl)cc2Cl)cc1 11693624 XGOKSQODGQPSAB-UHFFFAOYSA-N 367.276 3.797 0 40 FHAB O=C(COc1ccc2ccccc2c1)Nc1ccc(CC(=O)NC2CC2)cc1 13715781 PACROYCXEDGAAA-UHFFFAOYSA-N 374.440 3.678 0 40 FHAB O=C(OC1CCCC1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 585397394 PSXXYVLVEPJKPQ-MRXNPFEDSA-N 371.886 3.581 0 40 FHAB O=C(Nc1ccc(F)cc1)c1cc2cc(Br)ccc2oc1=O 831012 CTKDMOUXKVQFOQ-UHFFFAOYSA-N 362.154 3.947 0 40 FHAB c1ccc(N2CCN(c3ccc(-c4nc5ccccc5[nH]4)cn3)CC2)cc1 25608645 VVZOYKOBLWKEEB-UHFFFAOYSA-N 355.445 3.952 0 40 FHAB O=C(Cc1ccccc1Cl)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 30176852 LWLLIRKWGVOXMD-KRWDZBQOSA-N 358.825 3.639 0 40 FHAB Cc1c([C@@H](C)NC(=O)c2ccc(N(C)C)cc2)cnn1-c1ccc(F)cc1 40068541 SPSGYDOWESPXHG-CQSZACIVSA-N 366.440 3.877 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(O)cc2)CC1 40097903 HXBUARXZIMTXGR-UHFFFAOYSA-N 365.355 3.765 0 40 FHAB O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccc(Br)cc1 30479963 YVAXVABRLGWIFL-UHFFFAOYSA-N 373.250 3.937 0 40 FHAB CC(C)C(=O)Nc1ccc(CNC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 30979971 AXRCCUWJLNUGMR-AWEZNQCLSA-N 371.403 3.765 0 40 FHAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(C(=O)NC2CC2)cc1 32869256 TZPDQEVIRCRFOK-UHFFFAOYSA-N 361.401 3.795 0 40 FHAB O=C(NCc1nc2ccccc2s1)NCc1nc2ccccc2s1 32863416 PAFOSBYDONDKIX-UHFFFAOYSA-N 354.460 3.905 0 40 FHAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1cc(-c2ccccc2)on1 21805585 HFCZHGKQCSYCNH-QGZVFWFLSA-N 367.474 3.970 0 40 FHAB CN(C)C1(CNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)CCCC1 41671069 ONVCOBQGBTXWIT-UHFFFAOYSA-N 365.477 3.543 0 40 FHAB C=CC(=O)Nc1ccc(C(=O)N2CCSC[C@H]2c2ccc(C)o2)cc1 72533537 ZNMNWVPIPRYCQV-INIZCTEOSA-N 356.447 3.643 0 40 FHAB COc1ccccc1C(=O)Nc1ccc(NC(=O)C2CCCCC2)nc1 1358181 RWVJDHUJDDKURW-UHFFFAOYSA-N 353.422 3.861 0 40 FHAB Cc1ccc(-c2cc3nc4c(c(NCCCn5ccnc5)n3n2)CCC4)cc1 4902457 MPJGGBOURQALBM-UHFFFAOYSA-N 372.476 3.892 0 40 FHAB COc1ccc(NC(=O)CSc2n[nH]c(-c3ccccc3C)n2)cc1 6451929 GGNJPJFTLSEOBS-UHFFFAOYSA-N 354.435 3.520 0 40 FHAB Cc1cc(=O)n2c(n1)NC(Nc1ccc(C)c(C)c1)=N[C@H]2c1ccccc1 7496359 XLALBWJLMUOURC-LJQANCHMSA-N 359.433 3.609 0 40 FHAB CC(C)n1ncc2cc(C(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)cnc21 12532228 VRSAPPCDDLFJCQ-OAHLLOKOSA-N 374.448 3.689 0 40 FHAB Brc1ccc(-c2nnc(CSc3ncccn3)o2)s1 8069848 VPUOLQYQDPCZHD-UHFFFAOYSA-N 355.242 3.643 0 40 FHAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(F)cc1)O[C@@H](C)C2 12564039 SYHMSXRPNDUBIF-STQMWFEESA-N 358.413 3.987 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC(F)(F)F)cc1 12525974 GSQHKDOROZLZRE-UHFFFAOYSA-N 359.325 3.589 0 40 FHAB O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc2[nH]nnc2c1 24760015 PDTDGWTXPSCXDB-UHFFFAOYSA-N 356.429 3.910 0 40 FHAB COc1ccc(-c2nc([C@H]3NC(=O)c4ccccc4N3C)cs2)cc1 12543120 PRNNRISMHLSIMK-KRWDZBQOSA-N 351.431 3.697 0 40 FHAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1ccc(-c2ccc(F)cc2)o1 43271597 ACQTVFDFPPFKNJ-INIZCTEOSA-N 355.369 3.714 0 40 FHAB Cc1nc2ccccc2n1CCNC(=O)c1cc2c(Cl)cccc2[nH]1 24926786 DLUAUKYOJLULBX-UHFFFAOYSA-N 352.825 3.909 0 40 FHAB COCCNC(=O)c1ccccc1NC(=O)c1oc2ccc(F)cc2c1C 25166339 DLEAQLDSEDJFKD-UHFFFAOYSA-N 370.380 3.509 0 40 FHAB O=C1COc2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2N1 1422642 GMQIJXBOXBDBGJ-UHFFFAOYSA-N 358.397 3.537 0 40 FHAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1csc2c1CCCC2 12621189 NXNWGWIVEHBFFA-UHFFFAOYSA-N 354.475 3.905 0 40 FHAB COC(=O)c1cc(Cl)ccc1OCC(=O)Nc1cccc(Cl)c1 57993978 NQMCBNBPTPNWOJ-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB Cc1nc(SCCCS(=O)(=O)c2ccccc2)n(C2CC2)c1C 58165958 NUFJGXBKHQXRMD-UHFFFAOYSA-N 350.509 3.791 0 40 FHAB O=C(CCc1ccccc1O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 58202508 CVZATSBMGBJZJO-HNNXBMFYSA-N 358.869 3.621 0 40 FHAB CCOc1ccc([C@@H](C)NC(=O)Cc2c(C)noc2Cl)cc1OCC 58202565 KHZHRRMGJBVMRD-LLVKDONJSA-N 366.845 3.854 0 40 FHAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1 55285949 FYIJBQYAFMSCPS-JTQLQIEISA-N 364.854 3.567 0 40 FHAB CC(C)(C)n1nc(C(=O)Nc2cccc(-c3nnco3)c2)cc1C1CC1 55180893 HYGDZABSSBXMKX-UHFFFAOYSA-N 351.410 3.818 0 40 FHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCc1ccc(OC)c(OC)c1 20491085 BADCTPFCJKLQJX-IBGZPJMESA-N 371.477 3.837 0 40 FHAB O=C(NCc1ccc(-n2ccnc2)nc1)c1ccc(-c2ccccc2F)o1 58357423 SFSLDIAMZGLHOJ-UHFFFAOYSA-N 362.364 3.596 0 40 FHAB Cc1nccn1-c1ccc(CNC(=O)NCC[C@H](C)c2ccccc2)cn1 58341135 JBWRCUHRXUPSIH-INIZCTEOSA-N 363.465 3.569 0 40 FHAB CN(C)C(=O)[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)c1ccccc1 58381556 VIMKKSNUGYHLQF-KRWDZBQOSA-N 358.511 3.849 0 40 FHAB COC(=O)CCN(Cc1nc(-c2ccccc2Cl)no1)C1CCCC1 58439196 WEBDRDNKZASXQU-UHFFFAOYSA-N 363.845 3.698 0 40 FHAB CN(C)[C@@H](CNC(=O)c1nccc2ccccc12)c1ccccc1Cl 58415020 CFPXGWGPVOVUOO-SFHVURJKSA-N 353.853 3.921 0 40 FHAB COc1ccccc1NC(=O)c1cc(=O)c(OCc2ccccc2F)co1 36357796 JYWSKQPYCAJMBO-UHFFFAOYSA-N 369.348 3.619 0 40 FHAB Fc1cccc(-c2nn3c([C@H]4COc5ccccc5O4)nnc3s2)c1 2354434 CHKVBIGSGPUKQQ-CQSZACIVSA-N 354.366 3.504 0 40 FHAB O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN1c1ncnc2ccccc12 11246795 LKJIODNTHRBDFN-KRWDZBQOSA-N 352.825 3.891 0 40 FHAB Cc1noc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)NCCC(C)C)c12 36618485 IACZXPSMQKILNM-UHFFFAOYSA-N 367.405 3.703 0 40 FHAB O=C(Cc1ccccc1)Nc1ncc2c(n1)C[C@H](c1ccccc1)CC2=O 2400809 QPJWODCZUISANR-KRWDZBQOSA-N 357.413 3.571 0 40 FHAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCC[C@H](C)C3)c12 29510941 RYWXQDNFTBKNCF-LBPRGKRZSA-N 354.479 3.877 0 40 FHAB CC(=O)Nc1c(C)cccc1C(=O)O[C@H](C)C(=O)c1c[nH]c2ccccc12 11812582 XOLIQMXCEPUAPV-CYBMUJFWSA-N 364.401 3.863 0 40 FHAB COc1ncccc1C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 60307538 MHQHOXROTUWBMY-UHFFFAOYSA-N 363.870 3.549 0 40 FHAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC(C)(C)C)cc1 408678643 UFNYZFZNIODWEH-UHFFFAOYSA-N 350.418 3.712 0 40 FHAB C[C@@H](Sc1nnnn1Cc1ccccc1)C(=O)c1cccc(Cl)c1 12882759 FGXSMTVPRDMHAU-GFCCVEGCSA-N 358.854 3.738 0 40 FHAB CN(CC(=O)Nc1ccccc1Br)C(=O)CCC1CCCC1 12996467 JSWHTPRVIRIMSU-UHFFFAOYSA-N 367.287 3.816 0 40 FHAB COC(=O)[C@@H](CC(C)C)NC(=O)c1cccc(OCc2ccc(F)cc2)c1 13000152 WYBRCIATYIISHN-LJQANCHMSA-N 373.424 3.722 0 40 FHAB COc1cc(C=O)ccc1OCC(=O)Nc1c(Cl)cccc1Cl 3885114 YLMOHQOJZSROIK-UHFFFAOYSA-N 354.189 3.832 0 40 FHAB COC[C@@H](N[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1)C1CC1 95432522 WMMLBNKOSFQWRJ-TZIWHRDSSA-N 368.477 3.698 0 40 FHAB Cc1nc(Cc2nn3c(Cc4ccc(Cl)cc4)nnc3s2)cs1 49548629 GWHJAKDPNLMWAQ-UHFFFAOYSA-N 361.883 3.786 0 40 FHAB Cn1c(=O)c([C@@H]2CC(O)=Nc3c2cnn3C(C)(C)C)cc2ccccc21 49549537 OJOBFPBPGVYWKZ-ZDUSSCGKSA-N 350.422 3.614 0 40 FHAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NC1CCCCC1 408702763 CSRNSGKJVCPISP-UHFFFAOYSA-N 372.490 3.578 0 40 FHAB COc1ccc(OC)c(C2=Nn3c(nnc3C3CCCCC3)SC2)c1 4325821 DGWFABRMDLKDCC-UHFFFAOYSA-N 358.467 3.701 0 40 FHAB Cc1ccc(C)c(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)c1 14184469 ZWWPCBGIERMYKZ-UHFFFAOYSA-N 355.419 3.786 0 40 FHAB CCCCC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O 14244262 XASGNPXJYBJTMD-KAMYIIQDSA-N 366.870 3.683 0 40 FHAB Cn1nc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccc2c1=O 6546204 RURWQEGGUKVJIK-UHFFFAOYSA-N 371.396 3.978 0 40 FHAB COCCn1c(SC)nc2scc(-c3ccc(F)cc3)c2c1=O 5571034 DNWYZAWSLDLTCS-UHFFFAOYSA-N 350.440 3.632 0 40 FHAB O=C(Cc1csc(NC(=O)c2cccs2)n1)Nc1cccc(F)c1 9114154 AXMOOPDEGBJHBB-UHFFFAOYSA-N 361.423 3.777 0 40 FHAB CCOC(=O)[C@]1(C(F)(F)F)NC(C(F)(F)F)=Nc2ccc(Cl)cc21 4786002 GBAGBYDRFRJHIZ-LLVKDONJSA-N 374.668 3.856 0 40 FHAB CN(CCCn1ccnc1)C(=O)Nc1cccc(Oc2ccccn2)c1 83860870 JMRMNFQOUJAMIK-UHFFFAOYSA-N 351.410 3.624 0 40 FHAB Cc1ccc(OCCC(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 4985216 LHYCKGRKPMFGRP-HXUWFJFHSA-N 367.445 3.501 0 40 FHAB Cn1nnnc1NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 22111985 ZQSKWKLSPUSKOB-UHFFFAOYSA-N 364.236 3.708 0 40 FHAB CC(=O)c1cc2c(cc1NC(=O)CCCOc1ccccc1C)OCO2 25057305 SRVKYUMJUUJHBW-UHFFFAOYSA-N 355.390 3.724 0 40 FHAB COC(=O)c1cccc(CSCC(=O)N2c3ccccc3C[C@@H]2C)c1 7208383 DYEIKXQNCBVUPK-AWEZNQCLSA-N 355.459 3.684 0 40 FHAB O=C(Nc1ccccc1Cc1ccccc1)[C@H]1CC(=O)N(Cc2ccco2)C1 7344673 HAWSENXWCJXKFV-IBGZPJMESA-N 374.440 3.858 0 40 FHAB COc1ccc(CC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 7492061 MKGNXHQQTOKJOO-UHFFFAOYSA-N 372.896 3.672 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)OCC(=O)Nc1cc(C(C)C)no1 9513382 NUOCFYNTFQUMAJ-UHFFFAOYSA-N 371.368 3.589 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1nc2ccc(F)cc2s1 7643661 FHLGXAXOWNDASS-UHFFFAOYSA-N 374.393 3.664 0 40 FHAB COc1cc(SC)ccc1C(=O)Nc1cc2c(cc1C(C)=O)OCO2 7717343 OEPDQZUNELCWLM-UHFFFAOYSA-N 359.403 3.601 0 40 FHAB Cc1ccc(C)c(OCCC(=O)Nc2ccccc2C(=O)NC2CC2)c1 7785982 DONYCNJIAJWBBU-UHFFFAOYSA-N 352.434 3.603 0 40 FHAB COC(=O)c1nn(-c2ccc(C)cc2)c2c1Cc1cc(OC)c(OC)cc1-2 96193749 BRCHGPNBUZOKKT-UHFFFAOYSA-N 364.401 3.556 0 40 FHAB O=C(NCC(=O)N1CCCCCC1)c1ccc(Oc2ccccc2)cc1 9547668 XHVJEQKBTOVCHZ-UHFFFAOYSA-N 352.434 3.611 0 40 FHAB Cc1noc(C)c1COc1ccccc1C(=O)N[C@H](C)c1ccccn1 9379261 HBTNWVGZXOICMW-CQSZACIVSA-N 351.406 3.756 0 40 FHAB COc1ccc(NC(=O)c2ccco2)c(NC(=O)Cc2ccccc2)c1 8189996 UEXAKQSZBWZXSU-UHFFFAOYSA-N 350.374 3.722 0 40 FHAB Cn1cccc1[C@H](O)CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 95454564 JVBWIINQDGOZEU-AZUAARDMSA-N 355.869 3.681 0 40 FHAB Cc1nc(COc2ccc(C(=O)N3CCCCc4ccccc43)cc2)no1 71795562 WDDDOMRHTKAOEX-UHFFFAOYSA-N 363.417 3.940 0 40 FHAB CCC(CC)(CO)NC(=O)c1csc(-c2ccc(OC(C)C)cc2)n1 95444521 MZAAXOPISIPDGB-UHFFFAOYSA-N 362.495 3.878 0 40 FHAB COc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)cc1 408627990 PDACRZOCZOYSIB-UHFFFAOYSA-N 371.245 3.834 0 40 FHAB Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 89672830 GGFMJXBOFAKMTK-UHFFFAOYSA-N 372.490 3.812 0 40 FHAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccccc1Br 408706691 CQSQEPARGXAPAQ-GFCCVEGCSA-N 355.276 3.720 0 40 FHAB CCCCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccccc1)C3 20632374 YQGZLFBXAVNEIK-AWEZNQCLSA-N 352.463 3.929 0 40 FHAB O=C(NC1CCCC1)c1cnc2scc(-c3ccccc3Cl)n2c1=O 64787974 KLVOMFIEFCZNIQ-UHFFFAOYSA-N 373.865 3.749 0 40 FHAB CC(C)CN1c2ccccc2C2(CCN(Cc3ccoc3)CC2)S1(=O)=O 306129963 ISRJIRJCELJKOL-UHFFFAOYSA-N 374.506 3.577 0 40 FHAB CC1(C)C[C@H](NC(=O)CCc2ccc3c(c2)OCCO3)c2ccccc2O1 121875610 TXEIOTSMBXGOPZ-KRWDZBQOSA-N 367.445 3.809 0 40 FHAB O=C(Nc1c[nH]nc1-c1ccccn1)c1cccc(OCC(F)(F)F)c1 502622302 GAPWWGRARRPNRZ-UHFFFAOYSA-N 362.311 3.665 0 40 FHAB Cc1c(CNC(=O)N2CCC(Cn3cccn3)CC2)oc2ccc(F)cc12 124645717 UVOONPRKFSIVBC-UHFFFAOYSA-N 370.428 3.699 0 40 FHAB CN(Cc1ccc([S@@](C)=O)cc1)C(=O)N[C@H](c1ccccn1)C1CCC1 528174356 KXDDKMJPPHDFBI-AFMDSPMNSA-N 371.506 3.502 0 40 FHAB Cc1ccc2sc(CN(Cc3ccccc3)[C@]3(CO)CCOC3)nc2c1 528491598 QDEFVXJRLWTLRK-NRFANRHFSA-N 368.502 3.758 0 40 FHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1nc(-c2ccccc2)no1 219325396 CTBIKZILYGSOEN-MRXNPFEDSA-N 371.824 3.864 0 40 FHAB CCOCCCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38856814 SUGBLSRWIZDNKE-HNNXBMFYSA-N 373.324 3.748 0 40 FHAB Cc1cccc(-c2n[nH]c(SCC(=O)Nc3ccc(C)cc3F)n2)c1 32579572 KGGYDYUSAHMDEO-UHFFFAOYSA-N 356.426 3.958 0 40 FHAB O=C(c1cccc(Cl)c1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 75165176 GYBRJCCRIKUBPA-UHFFFAOYSA-N 359.735 3.762 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(Cn3ccnc3C)cc2)c1 38851901 UBNAVHAZHFFJSG-UHFFFAOYSA-N 363.417 3.587 0 40 FHAB COC(=O)c1cc(I)ccc1NCc1ccccc1 39951636 NLRQUDJGYIJJHL-UHFFFAOYSA-N 367.186 3.690 0 40 FHAB C[C@H]1CCCN(C(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)C1 188966377 YCFYNVHZPMAWDP-AWEZNQCLSA-N 352.881 3.950 0 40 FHAB Cc1nn(C)c(C)c1[C@H]1SCC(O)=Nc2c1c(C)nn2-c1ccccc1 44919787 XISAPEHPVVGKRE-GOSISDBHSA-N 367.478 3.955 0 40 FHAB CCCC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC 225641806 FVMLNWLPUIBYIW-LJQANCHMSA-N 372.896 3.826 0 40 FHAB Cc1ccc(CS(=O)(=O)NCCOc2ccc3ccccc3c2)cc1 223610766 SVVZOJWWOYCKSQ-UHFFFAOYSA-N 355.459 3.647 0 40 FHAB O[C@H](CNC[C@H]1CCOC2(CCC2)C1)Cc1ccc(C(F)(F)F)cc1 570082602 OPLVPBVXQZDQAK-RDJZCZTQSA-N 357.416 3.548 0 40 FHAB Cc1cccc(C(=O)NCc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)c1 48333594 OLPFMEGVIKVWEV-ROUUACIJSA-N 352.478 3.534 0 40 FHAB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N1C[C@@H](C(=O)O)CC1=O 45887193 BREWKXXEERGLLB-LBPRGKRZSA-N 370.792 3.894 0 40 FHAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc4c(c3)OCO4)N21 222650379 JDRYWWUCMWBESS-JEBQAFNWSA-N 353.447 3.790 0 40 FHAB c1csc(CN2CCC3(CC2)CO[C@@H](COCc2ccncc2)C3)c1 96218276 JYSIJIQRSYMJDE-GOSISDBHSA-N 358.507 3.731 0 40 FHAB CC(C)c1nc(-c2cc(C(=O)N3CCN(C)CC3)c3ccccn23)cs1 96154833 MDKSSOIXQCIGSC-UHFFFAOYSA-N 368.506 3.574 0 40 FHAB O=C(NCc1nnc(-c2ccccc2)s1)[C@H]1CCCCN1C1CCCC1 333001740 AZAMJMJWVOWDAG-QGZVFWFLSA-N 370.522 3.618 0 40 FHAB CCOC[C@H]1CC2(CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)CO1 96105931 BCGFGMJLXREBBO-CQSZACIVSA-N 355.837 3.527 0 40 FHAB CC(C)(C)OC(=O)N1CCC(NC(=O)N(C2CCCC2)C2CC2)CC1 584907248 YFTPHJDUVCUMIA-UHFFFAOYSA-N 351.491 3.503 0 40 FHAB CCOc1cc2c(cc1NC(=O)c1ccc3nccc(C)c3c1)OCCO2 585082080 ZQPKQSDUDCQDTD-UHFFFAOYSA-N 364.401 3.965 0 40 FHAB O=C(c1ccccn1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257268082 MKCRRKLUOSXXHX-MRXNPFEDSA-N 365.408 3.819 0 40 FHAB Cc1cc(N2CCO[C@H](c3cccc(-c4cccc(F)c4)n3)C2)nc(C)n1 257307652 SZRLRGZURPNKDA-FQEVSTJZSA-N 364.424 3.872 0 40 FHAB C[C@H](O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@]4(C)C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 253617543 UUNZVNLAFCAUHR-AXPNFNMSSA-N 350.543 3.892 0 40 FHAB Cc1nc(Nc2ccccn2)cc([C@@H]2CCCN(Cc3cncs3)C2)n1 257338731 YYSWVOPBLLKBOC-OAHLLOKOSA-N 366.494 3.760 0 40 FHAB Cn1ccnc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257289761 QABWCZRKJBPWMN-KRWDZBQOSA-N 368.412 3.505 0 40 FHAB Cc1cccc2c1OCC[C@H]2NC(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@H]21 664738861 WHZRNJJVMPLKLX-WJFTUGDTSA-N 352.409 3.595 0 40 FHAB CC(C)(C)OC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 601014555 VYLAPJPXVVMMJS-HOTGVXAUSA-N 362.470 3.914 0 40 FHAB O=C(CSc1nc2ccccc2s1)Nc1cnn(C2CCOCC2)c1 96123318 CDQDOFMSRDQJJY-UHFFFAOYSA-N 374.491 3.575 0 40 FHAB CCc1ncnc(O[C@H]2CCN(C(=O)c3cc4ccccc4s3)C2)c1F 390828109 OUNICOXSEWQXTL-ZDUSSCGKSA-N 371.437 3.686 0 40 FHAB COc1ccc(-c2ncc(C(=O)NC3(C4CCC4)CC3)s2)cc1OC 650661413 VHJCGYHVFOMACP-UHFFFAOYSA-N 358.463 3.890 0 40 FHAB Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc(Cl)s2)n[nH]1 72313732 UTAWORLZJFWILE-UHFFFAOYSA-N 353.856 3.901 0 40 FHAB O=C(Cc1ccsc1)N1C[C@@H]2CCCCN(Cc3cccc(F)c3)[C@@H]2C1 72330662 GTFWXECQRAGOEN-AZUAARDMSA-N 372.509 3.943 0 40 FHAB O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)N1CCC[C@@H]1c1ccncc1 57189988 DEMBTNFPTMUNPD-VAMGGRTRSA-N 369.440 3.988 0 40 FHAB Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc(F)cc(Cl)c2O)c1 78999855 GPKNCPCVYPSYDF-LLVKDONJSA-N 365.788 3.986 0 40 FHAB Cc1ccc(CN2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)cc1 1615153399 DVBQXIGWIRKVPA-JOCHJYFZSA-N 368.452 3.532 0 40 FHAB O=C(N[C@@H](c1ccccc1)c1cccnc1)[C@@H]1Cc2cc(Cl)ccc2O1 12148260 HAEKNPQYHWQLET-PMACEKPBSA-N 364.832 3.944 0 40 FHAB CCOc1ccc(CN2CCC(c3noc(-c4ccncc4)n3)CC2)cc1 12275801 TVYWDECSCLIEFR-UHFFFAOYSA-N 364.449 3.910 0 40 FHAB Cc1cccc(N2C[C@H](C(=O)NC34CC5CC(CC(C5)C3)C4)CC2=O)c1C 12762891 XVSGHVFZLDWVRJ-GYVBGXKYSA-N 366.505 3.741 0 40 FHAB COc1ccc(C(=O)NCC(=O)Nc2ccc3c(c2)-c2ccccc2C3)cc1 12773456 LELXUSOVSGLSJE-UHFFFAOYSA-N 372.424 3.635 0 40 FHAB Cc1ccc(S(=O)(=O)NC(=O)O[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 16310242 YZWRWDKISIQION-BZUAXINKSA-N 351.468 3.769 0 40 FHAB Cc1cccc([C@@H]2CN(Cc3ccc(F)cc3)C[C@]23CCCCC(=O)N3)n1 19236383 BZIDNGFEIDVVGX-SIKLNZKXSA-N 367.468 3.558 0 40 FHAB Cn1cc([C@H](O)CN2CCN(c3ccccc3Cl)CC2)c2ccccc21 19290388 XQDIETYEZQTNBI-OAQYLSRUSA-N 369.896 3.687 0 40 FHAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1n[nH]cc1-c1ccncc1 19333265 WPAVIKMOGJBJMN-GOSISDBHSA-N 350.397 3.517 0 40 FHAB CCN1CCC[C@H]1CN(Cc1ccncc1)Cc1cc(OC)cc(OC)c1 19527214 APBQJIKDUCKRJY-FQEVSTJZSA-N 369.509 3.585 0 40 FHAB CC(C)(CN1CCCCC1)NC(=O)c1ccccc1CN1CCCCC1 19662410 ULYWTOGYQOJAPV-UHFFFAOYSA-N 357.542 3.667 0 40 FHAB CN(C)c1ncccc1CN1CCC[C@H](Cc2nc3ccc(F)cc3[nH]2)C1 19715722 YODFCZRDNAFUKR-OAHLLOKOSA-N 367.472 3.618 0 40 FHAB O=C(CSCCc1ccccn1)Nc1ccccc1Br 3894026 UWSXWTCKJWSTJQ-UHFFFAOYSA-N 351.269 3.759 0 40 FHAB CN(C)Cc1cn(CC(=O)NC(C)(C)C)c2c(-c3cccs3)nccc12 12134661 HYDUYRPYXPFOMJ-UHFFFAOYSA-N 370.522 3.741 0 40 FHAB O=C(Nc1ccc(Cl)cc1F)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 717079 VYSONEMLCDQZCL-SNVBAGLBSA-N 350.752 3.610 0 40 FHAB CC1(C)C[C@@]2(CCO1)OC(=O)C[C@@H]2C(=O)Nc1c(Cl)cccc1Cl 1079437 GTOISFOVUPTITK-BMLIUANNSA-N 372.248 3.823 0 40 FHAB O=C(CC1CCCCC1)N(c1ccc(Cl)cc1)[C@H]1C=CS(=O)(=O)C1 4165212 ACINYARFJDNZGP-KRWDZBQOSA-N 367.898 3.954 0 40 FHAB C[C@@H]1CC(=O)N(CC(=O)NCc2ccccc2Cl)c2ccccc2S1 4162751 NFMVYIHOPRUEOD-CYBMUJFWSA-N 374.893 3.874 0 40 FHAB COc1ccccc1NC(=O)CSc1nnc(-c2cc(C)oc2C)o1 11835527 NDSWNLWKYSIBLN-UHFFFAOYSA-N 359.407 3.686 0 40 FHAB COc1cc([C@H]2CC(=O)Nc3[nH]ncc32)ccc1OCc1ccccc1F 15081881 XOFGBXMMISXLIW-CQSZACIVSA-N 367.380 3.611 0 40 FHAB CCN1C(=O)Cc2cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc21 17288990 GMVMMRRZWUOFIY-UHFFFAOYSA-N 372.490 3.694 0 40 FHAB C[C@H](Cc1csc2ccccc12)NC(=O)[C@H]1COc2ccccc2O1 585150711 BCLJESLESCIKEG-FZKQIMNGSA-N 353.443 3.789 0 40 FHAB CCC(=O)N1CCC[C@@H](C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)C1 40146621 TZNHGSBWCJWWCT-DNVCBOLYSA-N 374.481 3.741 0 40 FHAB Cn1ccnc1COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 40119383 KUCZDBVSEMKZEN-HXUWFJFHSA-N 361.445 3.807 0 40 FHAB CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccccc1OC 40152978 NOWFNUUOPHKEHU-SFHVURJKSA-N 368.481 3.609 0 40 FHAB CCOc1cc2c(cc1OCC)[C@H](c1coc3ccccc3c1=O)NCC2 20494366 BRNMQWNJLZTXNN-OAQYLSRUSA-N 365.429 3.826 0 40 FHAB CCc1cccc(C)c1NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O 51319594 LUQNXNPERXKMGS-UHFFFAOYSA-N 365.408 3.559 0 40 FHAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ncccc3O)cc12 22263494 VDTGAPKVJYOZJQ-UHFFFAOYSA-N 350.403 3.748 0 40 FHAB COc1cc2c(cc1OC)[C@H](COc1cccc(C(F)(F)F)c1)NCC2 22405256 WMJQESNBADGPSL-INIZCTEOSA-N 367.367 3.988 0 40 FHAB CCCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cccnc1 1361237 DIHKLUPJVQUHOQ-UHFFFAOYSA-N 367.478 3.789 0 40 FHAB COc1ccc([C@@H](OC(=O)c2ccco2)C(=O)NCc2cccs2)cc1 1381062 ZZVSWVCDIHNXMA-QGZVFWFLSA-N 371.414 3.564 0 40 FHAB CCOC(=O)[C@H](OC(=O)Nc1cccc(C(F)(F)F)c1)C(F)(F)F 2299144 LTBIRRNGZOLSPF-VIFPVBQESA-N 359.222 3.748 0 40 FHAB O=C(c1cnn2c(C(F)(F)F)cc(C3CC3)nc12)N1CCCCCC1 2775099 ISUJPYRGLNPYSE-UHFFFAOYSA-N 352.360 3.642 0 40 FHAB O=C(OCC(=O)N1CCCC1)c1cc(-c2ccccc2)nc2ccccc12 3239978 SXQWNODSDKERDJ-UHFFFAOYSA-N 360.413 3.681 0 40 FHAB Cc1ccc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c(C)c1 3294590 RAOLNAIPYWCZAC-UHFFFAOYSA-N 353.205 3.801 0 40 FHAB O=C(OCc1ccccc1F)c1nn(-c2ccccc2)c(=O)c2ccccc12 3322910 ZFOLJPNHMDPHOZ-UHFFFAOYSA-N 374.371 3.882 0 40 FHAB O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@@H]1CCCc2ccccc21 3441451 UVNDUSRIFSFFTC-QAPCUYQASA-N 352.459 3.683 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cc(C)oc1C 3464506 RNSJPGYGSIOEPY-UHFFFAOYSA-N 351.786 3.662 0 40 FHAB CCOCc1c(C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)oc2ccccc12 3545998 KHISHJOOLXBBME-YOEHRIQHSA-N 373.449 3.821 0 40 FHAB C[C@H]1CCc2c(sc(NC(=O)c3ccc4ncsc4c3)c2C(N)=O)C1 4088492 QUHNVTCXUJBRQJ-VIFPVBQESA-N 371.487 3.834 0 40 FHAB Cc1cc(I)ccc1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 4109635 GPGAJOBVZNJYON-DMDPSCGWSA-N 355.219 3.974 0 40 FHAB COc1cccc(-c2ccc(SCC(=O)NC3CCCCC3)nn2)c1 4356459 WOZUYCYELJPAGO-UHFFFAOYSA-N 357.479 3.693 0 40 FHAB COc1cccc(-c2nnc3n2N=C(c2ccc(C)c(C)c2)CS3)c1 4586138 AISZPVZUOQPCBA-UHFFFAOYSA-N 350.447 3.929 0 40 FHAB COc1ccc(-c2cnc(NCc3cc(OC)ccc3OC)n2C)cc1 4678490 BFYBIDOGTAPFLP-UHFFFAOYSA-N 353.422 3.725 0 40 FHAB CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccccc1F 4816255 CCAKTTWXGWROGI-UHFFFAOYSA-N 362.474 3.645 0 40 FHAB Cc1csc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3C)n2C)n1 4816300 BYQWZQZRJRHBFC-LBPRGKRZSA-N 373.507 3.675 0 40 FHAB Cc1cc(C(=O)OCC(=O)Nc2ccc(C)c(F)c2)c2ccccc2n1 5355264 YBZCBVFQSGCWBN-UHFFFAOYSA-N 352.365 3.786 0 40 FHAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(C)cc(C)c3)n2)cc1 5442351 NMGJEOJOXNFNGN-UHFFFAOYSA-N 368.462 3.828 0 40 FHAB Nc1nc(-c2cc(Br)cc(Br)c2O)cs1 5588948 DJUFAVWIUSEGEX-UHFFFAOYSA-N 350.035 3.623 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 5704633 FVRUQLLUDWRPEP-NSHDSACASA-N 370.430 3.548 0 40 FHAB CC(C)NC(=O)CSc1ccccc1C(=O)NCCCc1ccccc1 6785035 BNFPEHITFLYSQY-UHFFFAOYSA-N 370.518 3.666 0 40 FHAB CCOc1ccccc1C[C@H]1SC(=O)N(CCOc2ccccc2)C1=O 6965319 ZOGHVGLBWSRDAM-GOSISDBHSA-N 371.458 3.771 0 40 FHAB COc1ccc(Cc2nnc(SCCOc3ccccc3)n2C)cc1 7341784 IFFQBJDCGXLOGT-UHFFFAOYSA-N 355.463 3.586 0 40 FHAB COc1ccccc1OCCNC(=O)c1cc2ccccc2cc1OC 7985608 RFLHQZNXWDKZDA-UHFFFAOYSA-N 351.402 3.666 0 40 FHAB CCc1nnc2sc(-c3cccc(NC(=O)Cc4ccccc4)c3)nn12 8071466 CPGLJGZPNISUSG-UHFFFAOYSA-N 363.446 3.596 0 40 FHAB Cc1nc2cc(NS(=O)(=O)c3cccc(Br)c3)ccc2o1 8110127 TVPMZSGWFJJORB-UHFFFAOYSA-N 367.224 3.700 0 40 FHAB CCOc1ccc(OCCCC(=O)Nc2ccc(OC)c(OC)c2)cc1 8395040 UNOGNFILUYKLQH-UHFFFAOYSA-N 359.422 3.900 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc3sccc3c(=O)[nH]2)cc1F 8457214 NLEPCJRXZZDKIM-SECBINFHSA-N 363.439 3.551 0 40 FHAB C[C@H]1Oc2c(C(=O)NCc3ccc(N4CCCC4=O)cc3)cccc2[C@H]1C 8709581 LYMBDSBAUGGBQC-LSDHHAIUSA-N 364.445 3.628 0 40 FHAB O=C(COc1ccc2c(c1)OC1(CCCCC1)CC2=O)Nc1nccs1 8992404 BJNHAKIXBXZSIQ-UHFFFAOYSA-N 372.446 3.829 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(C)o1 9335785 HORHWCGSPSUQAV-LLVKDONJSA-N 351.786 3.742 0 40 FHAB CSc1ccc(NC(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)cc1 9387557 NHCSJRQVXIWMOW-UHFFFAOYSA-N 357.435 3.578 0 40 FHAB O=C1c2ccccc2N[C@@H](c2cnn(-c3ccccc3)c2)N1C[C@H]1CCCO1 9477562 XHMXOVNJCUQINS-WIYYLYMNSA-N 374.444 3.618 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)c3cc(C)n(C)c3C)n2C)cc1 10264045 VUKKTWURCPCWKB-UHFFFAOYSA-N 354.479 3.721 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cnc3ccccc3n2)c(C(F)(F)F)c1 10641394 GLZQLZWPWICTQD-UHFFFAOYSA-N 374.322 3.859 0 40 FHAB COC(=O)[C@@H](C)OC(=O)c1cc2sc(Nc3ccccc3)nc2s1 10712123 GLEWXZHHSSNIOB-SECBINFHSA-N 362.432 3.820 0 40 FHAB CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)C23CC4CC(CC(C4)C2)C3)cc1 10800651 FNNGGHYZPOXLPM-NPFQLIISSA-N 369.461 3.976 0 40 FHAB NC(=O)N[C@H](CC(=O)OCc1ccccc1C(F)(F)F)c1ccccc1 11939430 XXRCVLAMURWLKD-OAHLLOKOSA-N 366.339 3.548 0 40 FHAB COc1ccc([C@@H]2SC=C3Sc4nnc(C(C)C)n4N32)cc1OC 12388881 GWCZXBLAZNDEQG-HNNXBMFYSA-N 362.480 3.707 0 40 FHAB O=C(O[C@@H](C(=O)NCc1ccc(F)cc1)c1ccccc1)c1ccco1 12471488 MEYWQHCMLCYLEN-GOSISDBHSA-N 353.349 3.633 0 40 FHAB CCCSc1nc2ccccc2n1Cc1cc(=O)n2cccc(C)c2n1 12520364 CLLGPPQWGTWVHD-UHFFFAOYSA-N 364.474 3.903 0 40 FHAB O=C1N[C@H](c2cn(-c3ccccc3)nc2-c2ccncc2)Nc2ccccc21 12528234 LIEQRDLBTNYZFN-OAQYLSRUSA-N 367.412 3.788 0 40 FHAB O=C(Cn1ccccc1=O)Nc1cc(Cl)ccc1Oc1ccccc1 12552263 YQSSXGSPYBKYIU-UHFFFAOYSA-N 354.793 3.933 0 40 FHAB CC(C)(C)c1ccc(COC(=O)[C@H]2CCCN(c3ncccn3)C2)cc1 12813645 GNBSMPFTHVTCGJ-KRWDZBQOSA-N 353.466 3.734 0 40 FHAB Cc1cccc(NC(=O)[C@@H](NC(=O)NCc2ccc(F)cc2)C(C)C)c1C 12923309 XRRFJGGZXASFBB-IBGZPJMESA-N 371.456 3.905 0 40 FHAB Cc1ccc([C@@H](OC(=O)CCNC(=O)c2ccccc2)C(F)(F)F)cc1 12941408 ILWYBFQOEVPABD-QGZVFWFLSA-N 365.351 3.962 0 40 FHAB Cc1ccc(NC(=O)CSCC(=O)N2CCCc3ccccc32)cc1 12998997 VUOBOHCPEMWAJZ-UHFFFAOYSA-N 354.475 3.646 0 40 FHAB O=C(O)/C=C/c1ccc(S(=O)(=O)Nc2ccc3sccc3c2)cc1 13454027 HEHNQVPRIDCTQB-FPYGCLRLSA-N 359.428 3.800 0 40 FHAB COc1ccc2c(C)c(CC(=O)Nc3cccc4ncccc34)c(=O)oc2c1 13570406 LHBSHIQLNMBJOI-UHFFFAOYSA-N 374.396 3.839 0 40 FHAB COc1ccc([C@@H]2CCCN2Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 14093698 DOOHWLOWSNVUSE-SFHVURJKSA-N 369.852 3.922 0 40 FHAB C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)N1CCCc2ccccc21 14169380 DRQRWHXNZLWGCQ-CQSZACIVSA-N 364.474 3.932 0 40 FHAB CCN(CC)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 14251986 VARNLJFSOGMGBI-UHFFFAOYSA-N 366.870 3.623 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC)cc1 15608550 GTKMMXCRCKTGFK-ATGUSINASA-N 352.434 3.875 0 40 FHAB COc1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc(OC)c1OC 16301198 KXZZLOULQVZUHP-UHFFFAOYSA-N 369.339 3.661 0 40 FHAB CCc1nc2n(n1)[C@H](c1ccco1)C=C(c1ccc(OC)c(OC)c1)N2 17073015 QCPHTHLHZHFGAG-AWEZNQCLSA-N 352.394 3.507 0 40 FHAB C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCCCC[C@@H]1c1ccn(C)n1 19456853 CUCHGCHVFURNDD-QFBILLFUSA-N 355.482 3.945 0 40 FHAB Fc1ccc(OCCc2cc([C@@H]3CCCN3Cc3ccccn3)n[nH]2)cc1 19703685 NAGXTSAIJNBSMA-NRFANRHFSA-N 366.440 3.902 0 40 FHAB CC[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(N2CCOCC2)cc1 19717120 DBOOVSOZLGAULE-HXUWFJFHSA-N 356.441 3.886 0 40 FHAB CC(C)C[C@H](C(=O)Nc1ccc(C2CCCC2)cc1)N1CCN(C)CC1 19802266 PTDIHRDFLWQSHR-OAQYLSRUSA-N 357.542 3.945 0 40 FHAB Cc1nn2c(nnc3c(=O)n(-c4ccc(F)cc4)ccc32)c1-c1ccccc1 19818877 LVIZLMWKBPONJM-UHFFFAOYSA-N 371.375 3.543 0 40 FHAB CCOc1ccc(CCC(=O)Nc2ccc(C(=O)O)cc2)cc1OCC 20035164 VMGMBZXHKYWZGW-UHFFFAOYSA-N 357.406 3.754 0 40 FHAB O=c1oc2c3c(c(Cl)cc2c2c1CCC2)OCN(c1ccccn1)C3 20566254 XFZHQRZROGXQHF-UHFFFAOYSA-N 354.793 3.687 0 40 FHAB O=C1C[C@H](c2ccc(F)cc2)Cc2nc3nc(-c4ccccc4)nn3cc21 20671453 KFTZAIYVCDZHRJ-OAHLLOKOSA-N 358.376 3.843 0 40 FHAB Cc1c(Cl)cccc1NC(=S)NC(=O)c1ccc2c(c1)OCCO2 21596192 PUFBQGYQGBNCOY-UHFFFAOYSA-N 362.838 3.546 0 40 FHAB O=C(CSCc1ccccc1F)Nc1ccc(N2CCCC2=O)cc1 22814117 WDGYWSZPVIPMMW-UHFFFAOYSA-N 358.438 3.824 0 40 FHAB Cc1cccc(CN2CCN([C@H](C)c3nnc(-c4ccccc4)o3)CC2)c1 22925188 OUAAMACIXMEDML-GOSISDBHSA-N 362.477 3.924 0 40 FHAB Cc1nc(C2(NC(=O)COc3ccc(F)cc3Cl)CCCCC2)no1 23508147 FFFRIDPJWWHVDT-UHFFFAOYSA-N 367.808 3.525 0 40 FHAB Cc1cc(CNC(=O)[C@@H](NC(=O)Nc2ccccc2)C(C)C)ccc1F 25645911 OMDHKGNPHIKRKA-SFHVURJKSA-N 357.429 3.597 0 40 FHAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCC(C)C)cc3)n2)cc1 32579062 BYSZRQJNRCSFRX-UHFFFAOYSA-N 365.433 3.863 0 40 FHAB CC(C)[C@H](NC(=O)CCCNC(=O)c1ccco1)c1ccc(Cl)cc1 32883684 FWZNPLIBDCNCDN-SFHVURJKSA-N 362.857 3.957 0 40 FHAB C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCCSCc2ccccc2)c1 32914235 FFFALALSOWYCEZ-HNAYVOBHSA-N 368.502 3.944 0 40 FHAB Cc1nnsc1-c1nn2c(-c3cc(Cl)cc(Cl)c3)nnc2s1 36357720 YLKVFNLONUTILD-UHFFFAOYSA-N 369.262 3.987 0 40 FHAB Cc1cccc(-n2nc(-c3cnn(C)c3C)c(C)c2-c2cnn(C)c2C)c1 36611554 IKYGJPHRIUXNBU-UHFFFAOYSA-N 360.465 3.907 0 40 FHAB Cc1cc(C)c(C(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)c(C)c1 36699987 VFRKZRLZBCFXGN-OAQYLSRUSA-N 366.505 3.805 0 40 FHAB Cc1ccccc1OCCN(C)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 40001041 XLFJCKLEXJBBLJ-FQEVSTJZSA-N 369.461 3.704 0 40 FHAB O=C(NCc1ccco1)Nc1cc(C(F)(F)F)ccc1-n1cccn1 43870092 KLLIKSGSRPISBU-UHFFFAOYSA-N 350.300 3.806 0 40 FHAB O=C(NCc1ccc(-n2cccn2)cc1)N1CCC[C@H]1c1ccsc1 46900835 RKDOHQZRKGJNHG-SFHVURJKSA-N 352.463 3.981 0 40 FHAB COc1ccc(C2=CCN(C(=O)NCc3ccccc3OC)CC2)cc1 47544134 IVYDQZHWDGREOI-UHFFFAOYSA-N 352.434 3.703 0 40 FHAB O=C(CCCC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)c1cccs1 48261679 OVGXITZFKUNXOQ-KRWDZBQOSA-N 361.438 3.840 0 40 FHAB CCN(C(=O)[C@H](C)N1CCN(CC2CC2)CC1)c1cccc2ccccc12 52164831 QDHDDXIFCQEBGC-SFHVURJKSA-N 365.521 3.609 0 40 FHAB COc1ccc([C@H](CNC(=N)NCc2ccccc2)N2CCCCC2)cc1 58112152 LHEWNSAQXJQRPO-NRFANRHFSA-N 366.509 3.536 0 40 FHAB CC(=O)c1cccc(NC(=O)NCc2ccc(-n3ccnc3)c(F)c2)c1 58193697 QEWVJZQEKFQGAW-UHFFFAOYSA-N 352.369 3.536 0 40 FHAB COc1ccc(CC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)cc1 58202390 YLZXYIQBAGIVAC-SFHVURJKSA-N 355.434 3.619 0 40 FHAB Cc1cc(C(=O)Nc2ccccc2NC(=O)NC(C)C)c2c(C)noc2n1 58351768 JCZDAVOPYCQWAZ-UHFFFAOYSA-N 367.409 3.622 0 40 FHAB OCCN(CCc1ccccc1)Cc1cc(Br)ccc1F 60381450 HYVNGEAFWADGPF-UHFFFAOYSA-N 352.247 3.625 0 40 FHAB O=C(Nc1cccc2cccnc12)C1CN(c2nc3ccccc3s2)C1 62023112 DRUBHSZWRDERFZ-UHFFFAOYSA-N 360.442 3.919 0 40 FHAB c1ccc(OCc2cc(CC3(NCC4CCCCC4)COC3)no2)cc1 67898154 KFMUTGKXCKWYHN-UHFFFAOYSA-N 356.466 3.735 0 40 FHAB biogenic,in-vitro CCc1nccn1-c1cncc([C@H]2CCCN2Cc2ccc(OC)cc2)n1 72378690 MIQRYWJIZQTPTN-LJQANCHMSA-N 363.465 3.570 0 40 FHAB COc1cccc([C@H](C)CC(=O)Nc2cccc(-c3noc(O)n3)c2)c1 84540684 XFJUWFZDUJNMHQ-GFCCVEGCSA-N 353.378 3.583 0 40 FHAB O=C(C[C@@H]1CCCO1)NC1(c2noc(C3CCCC3)n2)CCCCCC1 95431300 HUZSABAHJIDHBZ-INIZCTEOSA-N 361.486 3.962 0 40 FHAB O=S(=O)(Nc1ccc(F)cc1F)c1ccc(Br)cc1F 96170936 REQLRQKWVLAZCZ-UHFFFAOYSA-N 366.158 3.667 0 40 FHAB C[C@@H](CCc1ccco1)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 97032893 SAWDKTYLNRJOSD-SJCJKPOMSA-N 350.821 3.788 0 40 FHAB CCc1cccc(NC(=O)c2ccc3c(=O)n(CC)c(S)nc3c2)c1 102335489 VRAMYWXQKFCJFM-UHFFFAOYSA-N 353.447 3.520 0 40 FHAB Cc1nnc(NC(=O)C2C[C@H]3CCC[C@H](C2)C32SCCS2)s1 102905735 RNNQBFHJSSSTQO-VXGBXAGGSA-N 355.554 3.788 0 40 FHAB CCC1=C(c2ccc(Cl)cc2)Nc2nnnn2[C@H]1c1c(C)nn(C)c1C 102949854 CRYHVMDAOZTFCX-QGZVFWFLSA-N 369.860 3.513 0 40 FHAB O=C1/C(=C\c2ccccc2)N=C(SCCCO)N1c1ccc(F)cc1 169896615 QRKHBDLQCXDXQP-GHRIWEEISA-N 356.422 3.685 0 40 FHAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(N2CCCC2=O)cc1 219562982 HEXNJAWHMWELJE-KRWDZBQOSA-N 368.433 3.618 0 40 FHAB COc1ccccc1OCCNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 224425220 AMTRQNJAMDJYLL-QGZVFWFLSA-N 357.450 3.583 0 40 FHAB CCC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC(C)C 224793035 MZVIKVOQSCRDBO-OAQYLSRUSA-N 366.505 3.870 0 40 FHAB COc1cccc(OCC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1 225176260 RHDBTDXHKMFGSJ-UHFFFAOYSA-N 372.446 3.670 0 40 FHAB COC(=O)c1cccc(NC(=S)NCCSC2CCCCC2)c1 225358337 RNOMHSFKHWXAQD-UHFFFAOYSA-N 352.525 3.826 0 40 FHAB C[C@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)N1CCc2ccccc2C1 225434855 AXKVCQUXEBFMDY-ZDUSSCGKSA-N 366.392 3.733 0 40 FHAB biogenic,in-vitro O=C(Cn1ccc(=O)c2cc(Cl)ccc21)NCc1ccccc1Cl 225722137 SXFINIQWBAXXCW-UHFFFAOYSA-N 361.228 3.625 0 40 FHAB CCCCc1ccc(NC(=O)Cc2ccc(N(C)S(C)(=O)=O)cc2)cc1 225978244 XFBXEJBWMILQID-UHFFFAOYSA-N 374.506 3.606 0 40 FHAB O=C(c1cnco1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257200245 ACOKVNNOHHTPOG-INIZCTEOSA-N 355.369 3.760 0 40 FHAB Cc1nc(Nc2ccccn2)cc([C@H]2CCCCN2Cc2c[nH]nc2C)n1 257326734 WYJWMXUIWWUUTO-GOSISDBHSA-N 363.469 3.682 0 40 FHAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC(C)C)cc1 408679230 VLYVZWYVOCXPNP-UHFFFAOYSA-N 350.418 3.712 0 40 FHAB O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1ccc(OCCO)cc1 524735460 DCBFJPDTBPYWTP-SFHVURJKSA-N 356.447 3.539 0 40 FHAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCC[C@@H](C)C2)C3)cc1 585104804 SXELTGKCEFUTEE-CTNGQTDRSA-N 370.537 3.738 0 40 FHAB C[C@H](SCc1cc2n(n1)CCCC2)C(=O)NCc1ccc(Cl)cc1 593197322 XKPCXNIYUDIJNP-ZDUSSCGKSA-N 363.914 3.811 0 40 FHAB C[C@H](NC(=O)N1CCC[C@@H]1Cn1cncn1)c1ccc(Cl)c(Cl)c1 602296566 HCZMWTMTWOYYSD-WCQYABFASA-N 368.268 3.520 0 40 FHAB Cc1c(C(F)(F)F)n[nH]c1C(=O)NC1(C(C)(C)c2ccccc2)CC1 1297836467 OOILSZDUNHARSE-UHFFFAOYSA-N 351.372 3.977 0 40 FHAB CC1(C)C[C@@H]2CN(C(=O)Cc3ccccn3)CC[C@@H]2N1c1ccc(F)cc1 1615156466 JJGIKKVNVURNCR-UZLBHIALSA-N 367.468 3.669 0 40 FHAB Cc1cc(Cl)nc(-c2nc(-c3ccc(-n4c(C)cnc4O)cc3)no2)c1 1615612573 HJCPPOFFRHBYIC-UHFFFAOYSA-N 367.796 3.960 0 40 FHAB O=C(c1ccccc1)N1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccccc2F)C1 1775992385 RMEKCZOVSFKJFA-FXAWDEMLSA-N 366.436 3.593 0 40 FHAB Cc1cccc(NC(=O)CNC(=O)CCCc2c[nH]c3ccccc23)c1C 8982622 ODFZOWQZCDTMBS-UHFFFAOYSA-N 363.461 3.862 0 40 FHAB O=C1Nc2ccccc2[C@]12CCN[C@H]2c1ccc(F)c(Br)c1 61718191 VECHMBSCRWVRIG-RDJZCZTQSA-N 361.214 3.513 0 40 FHAB Cc1nnc(SCC(=O)Nc2cccc(Cl)c2)n1-c1ccccc1 3409921 XTFVRMPVNKQTNC-UHFFFAOYSA-N 358.854 3.960 0 40 FHAB CCCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C)CC2=O)cc1 4454454 YVWRWECRIAGBAS-MRXNPFEDSA-N 352.434 3.775 0 40 FHAB C[C@@H]1NC(=S)N(c2ccc(-c3ccccc3)c(C(F)(F)F)c2)C1=O 55180327 BBDLSBUWWNZGLR-JTQLQIEISA-N 350.365 3.982 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2)cc1 12557178 KYQOJPHNRMEPJF-MRXNPFEDSA-N 372.490 3.668 0 40 FHAB O=C(/C=C/c1ccc2c(c1)CCO2)Nc1ccc(NC2CCOCC2)cc1 84414667 BHTFPLGETAEXHN-KRXBUXKQSA-N 364.445 3.864 0 40 FHAB O=C(Nc1nc2c(s1)CCC2)c1ccc(Cl)c(N2CCCC2=O)c1 25768714 PPFGXNVQVLRDJO-UHFFFAOYSA-N 361.854 3.664 0 40 FHAB O=C(Nc1ccccc1C(F)(F)F)N1CCN(Cc2cscn2)CC1 56520920 NVGVZGKYWRGSIW-UHFFFAOYSA-N 370.400 3.512 0 40 FHAB Cc1ccc(NC(=O)CN(C)Cc2ncc(-c3ccc(F)cc3)o2)cc1 9690362 ZRIXAJHYACZSFO-UHFFFAOYSA-N 353.397 3.860 0 40 FHAB CCCNC(=O)[C@H](C)NC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 57742035 XFZVVYXSRXNMPU-XWARPOEQSA-N 368.521 3.556 0 40 FHAB CC(=O)N[C@H](CC(=O)NCc1csc2ccccc12)c1cccs1 57839301 IHMAFXDUZYPQNN-OAHLLOKOSA-N 358.488 3.847 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 10186282 AEAOCXLEJIVZTK-MRXNPFEDSA-N 351.450 3.869 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@H](C)CC[C@H]1CCCO1 58217925 XWBXXOHZLXLKGN-FZKQIMNGSA-N 359.445 3.706 0 40 FHAB COCCCNC(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1 12783708 LXQVXAKXOYJSHY-NRFANRHFSA-N 368.502 3.949 0 40 FHAB COC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2Cl)ccc1Cl 58363781 ZMORMDOUSALSEQ-UHFFFAOYSA-N 374.245 3.889 0 40 FHAB O=C1CCSc2ccc(C(=O)Nc3ccc(-c4cc[nH]n4)cc3)cc2N1 45097309 CECSCRGGOOALHV-UHFFFAOYSA-N 364.430 3.763 0 40 FHAB Cc1nc(C)c([C@@H](C)NC(=O)c2ccc3c(O)[nH]c(=S)nc3c2)s1 58417764 CVNFUMHHWGXGRV-MRVPVSSYSA-N 360.464 3.562 0 40 FHAB O[C@H]1CCCN(c2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)C1 3329903 ZASPGFREWFLJTO-AWEZNQCLSA-N 366.490 3.593 0 40 FHAB FC(F)(F)c1ccc(-n2nnnc2CSc2nccn2C2CC2)cc1 48344241 BURWSECONOAMJY-UHFFFAOYSA-N 366.372 3.505 0 40 FHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCCCCC2)nc1 28939675 VWWXYUORAIFFNR-UHFFFAOYSA-N 359.495 3.677 0 40 FHAB Cc1cccc(C(=O)N[C@@H](C(=O)N(C)Cc2ccc(F)cc2)C(C)C)c1 36768091 OTLZWXCCAAGVIC-LJQANCHMSA-N 356.441 3.547 0 40 FHAB Cc1c(C(=O)N2CCC[C@@H]2c2ccccc2)nnn1-c1ccc(F)cc1 45890672 MQMNCQNMQFCBCO-GOSISDBHSA-N 350.397 3.692 0 40 FHAB O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1ccc(F)c(F)c1 2514757 QCXMQNQKPXVPCB-UHFFFAOYSA-N 373.399 3.535 0 40 FHAB C[C@@H](C(=O)N1CCCCC1)n1nc(-c2cccs2)c2ccccc2c1=O 12803450 SZJFTGSWVUNLSJ-AWEZNQCLSA-N 367.474 3.699 0 40 FHAB COc1ccc(NC(=O)[C@H](C)Sc2nc(CC3CCCC3)n[nH]2)cc1 11886306 QUZWYKGUTIHLGS-LBPRGKRZSA-N 360.483 3.665 0 40 FHAB Cc1cccc(NC(=O)COC(=O)CCc2nc3ccccc3s2)c1 2664603 OLBSLBYZBXTRNG-UHFFFAOYSA-N 354.431 3.719 0 40 FHAB O=C1C[C@@H](C(=O)OCc2nc3ccccc3s2)c2ccc(F)cc2N1 12933382 WHASJUBSYXYNKX-GFCCVEGCSA-N 356.378 3.605 0 40 FHAB O=S(=O)(Nc1ccc2nc(-c3ccncc3)[nH]c2c1)c1ccc(F)cc1 71284420 FWMWDUDKSKKYLO-UHFFFAOYSA-N 368.393 3.565 0 40 FHAB Cc1nccn1-c1ccccc1CNC(=O)[C@H](C)Oc1ccccc1Cl 20457660 KMJFNHPDYMVRED-AWEZNQCLSA-N 369.852 3.918 0 40 FHAB CCC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3nc(C)sc3c2)CC1 64296377 DCRNGMWMYHIYEZ-CQSZACIVSA-N 359.495 3.972 0 40 FHAB COC(=O)[C@@H](CC(C)C)NC(=O)c1c(-c2ccccc2Cl)noc1C 4264866 GYACFRBLULIBQU-CQSZACIVSA-N 364.829 3.621 0 40 FHAB CNC(=O)c1ccc(CN[C@H]2CCCc3cn(C4CCCC4)nc32)cc1 96002765 NFTNJXSQGLOMMV-IBGZPJMESA-N 352.482 3.525 0 40 FHAB C[C@H](Sc1nnc(-c2ccco2)n1C)C(=O)Nc1ccc2c(c1)CCC2 14137258 QQMJJUDYZNUSPV-LBPRGKRZSA-N 368.462 3.683 0 40 FHAB Cc1ccccc1C(=O)OCC(=O)c1ccc(OC(=O)c2ccco2)cc1 4593203 AZWFHIVNDAVUNH-UHFFFAOYSA-N 364.353 3.847 0 40 FHAB CCc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1ccco1 4553386 BTQIYYOGCKGCGF-UHFFFAOYSA-N 374.396 3.743 0 40 FHAB CC[C@@H](C)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccc(Cl)cc1 5431126 AFASFBTYVYASHR-YMTOWFKASA-N 351.859 3.988 0 40 FHAB COc1ccc(C(C)=O)cc1CSc1n[nH]c2nc3ccccc3n12 6503499 OAHPIOPNAMELQK-UHFFFAOYSA-N 352.419 3.714 0 40 FHAB O=C(COCC(=O)Nc1cccc(Cl)c1Cl)Nc1ccc(F)cc1 4699633 HPEKKYDBQDBPBV-UHFFFAOYSA-N 371.195 3.726 0 40 FHAB O=C(N[C@H]1CCCC[C@@H]1n1cccn1)c1cccc(Oc2ccncc2)c1 72307221 AOFXJYYCUKTACU-PMACEKPBSA-N 362.433 3.984 0 40 FHAB CC(C)Oc1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C(C)C)cc1 5690183 LUNMYWFQMGHIDJ-INIZCTEOSA-N 361.467 3.969 0 40 FHAB Cc1ccc(Oc2ccccc2NC(=O)Cn2c(C)csc2=O)cc1 9499986 DVAZAKUKUYNLCJ-UHFFFAOYSA-N 354.431 3.958 0 40 FHAB Cc1ccccc1C1(C(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)CC1 66705743 WGWDFILQKBFJRS-IBGZPJMESA-N 357.400 3.905 0 40 FHAB COc1ccccc1NC(=O)[C@H](C)Sc1nncc(-c2cccs2)n1 9516430 CPPDVHUGHDAVHL-NSHDSACASA-N 372.475 3.728 0 40 FHAB C[C@@H](O)c1ccc(-c2ccc(CNCc3ccc(C(=O)O)cc3)o2)cc1 7541099 BVGODZPGAUUBCA-CQSZACIVSA-N 351.402 3.988 0 40 FHAB C[C@@H](c1ccccc1)N(C)C(=O)CSc1nnc(C2CC2)n1C1CC1 7905372 SNTYKYRVRRXVST-ZDUSSCGKSA-N 356.495 3.802 0 40 FHAB COc1ccc(CC(=O)OCc2cc(-c3ccccc3)on2)cc1OC 8068368 RAZLVVLSCWZYQJ-UHFFFAOYSA-N 353.374 3.645 0 40 FHAB Fc1ccc(-c2csc3ncnc(Sc4nnnn4C4CC4)c23)cc1 8074385 XHHFBAJRQARTGW-UHFFFAOYSA-N 370.438 3.970 0 40 FHAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 8014584 COTPZLXRUTZZNS-LBPRGKRZSA-N 363.373 3.622 0 40 FHAB Cc1ccc(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)s1 27931275 SCDPESSVXATTPB-UHFFFAOYSA-N 352.862 3.807 0 40 FHAB COc1cc2c(cc1OC)CN([C@@H](C)C(=O)Nc1ccccc1Cl)CC2 8473039 IKWJMQDOHDXJPN-ZDUSSCGKSA-N 374.868 3.743 0 40 FHAB CN(Cc1cccc(C(N)=O)c1)C(=O)C1c2ccccc2Oc2ccccc21 83864110 LZVFCKXAZCHTDT-UHFFFAOYSA-N 372.424 3.682 0 40 FHAB Cc1nc(C)n(C[C@H](C)C(=O)N[C@H]2[C@H]3CCCC[C@H]3[C@@H]2c2ccccc2)n1 60016558 UEKXWGMCTCTPBI-MWGPDUTGSA-N 366.509 3.620 0 40 FHAB Fc1ccc2[nH]c3nc(SCc4nc5ccccc5[nH]4)nnc3c2c1 35312794 YZSGOVNONZFPMS-UHFFFAOYSA-N 350.382 3.814 0 40 FHAB CC[C@@H](CO)Nc1nc2sc(C)c(C)c2c2nc(-c3ccccc3)nn12 32100644 REUOCLISAYQMJU-AWEZNQCLSA-N 367.478 3.806 0 40 FHAB Cc1nc(-c2cccs2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNCC(C)C)n1 35415859 YJZBVBKNCBWRDO-KSZLIROESA-N 370.566 3.937 0 40 FHAB biogenic,in-vitro O=C(O)[C@H]1CC(=O)N(c2ccc3nc(-c4cccc(Cl)c4)oc3c2)C1 70461340 ZVJIUARSANKNLT-NSHDSACASA-N 356.765 3.586 0 40 FHAB Cc1cc(C)cc(-n2ncc3c(NCc4ccc5c(c4)OCO5)ncnc32)c1 35681880 XERHTFBEABJMAL-UHFFFAOYSA-N 373.416 3.773 0 40 FHAB Cc1ccc([C@]2(O)CC[C@H]3CN(Cc4cccc5cccnc45)C[C@H]32)nc1 72392559 OXSYIRJHSHIRLW-NOXFTYBFSA-N 359.473 3.668 0 40 FHAB CC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)NCc2ccco2)s1 44917507 VVFANASGIZEMDH-UHFFFAOYSA-N 369.446 3.528 0 40 FHAB O=C(COc1ccccc1F)NCCSCc1ccccc1Cl 222773735 USPKWMGFEJQQEX-UHFFFAOYSA-N 353.846 3.908 0 40 FHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)[nH]1 223332886 GHCLJERQZKTIDB-QZTJIDSGSA-N 352.463 3.792 0 40 FHAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CC 223406059 VETPJIWXTDWUNH-LJQANCHMSA-N 372.896 3.826 0 40 FHAB CCCOC(=O)c1ccc(NCCc2ccc(OC)c(OC)c2)c(N)c1 225413952 MXELZZQOIHPICY-UHFFFAOYSA-N 358.438 3.507 0 40 FHAB Cc1ccc(CNC(=S)Nc2ncc(Br)cc2Cl)o1 223903768 CYEKJFHHRDTTCV-UHFFFAOYSA-N 360.664 3.886 0 40 FHAB CCc1ccc(N([C@H](C)C(=O)Nc2c(C)cccc2C)S(C)(=O)=O)cc1 220261293 XPNNIJYLOQZJDE-MRXNPFEDSA-N 374.506 3.659 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2nnc(SCC(C)C)s2)c1 223784148 ACHUNWFEVCZFEF-UHFFFAOYSA-N 353.469 3.556 0 40 FHAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CC 224368414 NGFDNARXFGLGLY-HXUWFJFHSA-N 370.468 3.702 0 40 FHAB Cc1cccc(NC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)n1 225821505 VHHASJAZZIRIAM-UHFFFAOYSA-N 359.842 3.580 0 40 FHAB CN(C)C[C@H]1CCC[C@]2(CCN(C(=O)c3ccc4ccccc4c3)C2)O1 96209171 TWVBHMFSEBQRCV-IFMALSPDSA-N 352.478 3.555 0 40 FHAB CC(C)(C)CC(=O)Nc1ccc(CC(=O)N2CC[C@]3(CCCOC3)C2)cc1 585081163 HGUIZMPONRIWAI-JOCHJYFZSA-N 372.509 3.633 0 40 FHAB O=C(c1c[nH]cn1)N1CCC[C@@H]1c1cncc(Oc2ccc(Cl)cc2)n1 257294729 QVKRZJOAIQHXKC-MRXNPFEDSA-N 369.812 3.623 0 40 FHAB CCc1cc(CNC(=O)NCc2ccc(Br)cc2Cl)on1 607374528 RWDQLXYIWWELAN-UHFFFAOYSA-N 372.650 3.652 0 40 FHAB O=C(N[C@@H]1CCO[C@H]1c1ccncc1)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 623985634 XHHHEHVLYHSDMF-OWYHZJEWSA-N 371.868 3.810 0 40 FHAB C[C@@H]1c2sccc2CCN1C(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1 1176441021 MZTJHUPLWYHLLZ-LRVUVFPRSA-N 364.511 3.839 0 40 FHAB Cc1cccc(CC2CN(C(=O)N[C@@H](C)[C@@H]3COc4ccccc43)C2)c1 1616045571 LMXCDDVAHJZPQE-JXFKEZNVSA-N 350.462 3.744 0 40 FHAB Cc1ccn(-c2cccc(C(=O)Nc3c[nH]nc3-c3ccccc3F)c2)n1 1325219001 UPLANZLCKRBCQT-UHFFFAOYSA-N 361.380 3.962 0 40 FHAB O=C(Cn1c(=O)oc2ccccc21)NCc1ccccc1-c1ccsc1 96122899 RYGYQWVUCASMBF-UHFFFAOYSA-N 364.426 3.639 0 40 FHAB c1cncc(COCC[C@H]2CCOC23CCN(Cc2ccoc2)CC3)c1 585105491 XVTAPJISRVRBAD-FQEVSTJZSA-N 356.466 3.653 0 40 FHAB O[C@H](CN1CCN(c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 51086266 UMGDPPKONSCUAP-GOSISDBHSA-N 350.384 3.561 0 40 FHAB COC(=O)c1c(C(F)(F)F)nc2cc(OC)ccc2c1Br 34617360 MEPYSZNJUZAKJQ-UHFFFAOYSA-N 364.117 3.811 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)OCc1cc(Cl)cc2c1OCOC2 5400258 MALHMWOMHPEECE-UHFFFAOYSA-N 357.793 3.974 0 40 FHAB COc1ccc(C)cc1NCc1cc2c(C)nn(-c3ccccc3)c2[nH]c1=O 12148003 QXPSEHNHHHGNTQ-UHFFFAOYSA-N 374.444 3.951 0 40 FHAB COc1ccc2nc(CN3CCC(O)(c4ccc(F)cc4)CC3)ccc2c1 12240641 MQUFYIMDDKTWCX-UHFFFAOYSA-N 366.436 3.866 0 40 FHAB Cc1ccc(N2CCN(C[C@H](O)c3c[nH]c4ccc(F)cc34)CC2)c(C)c1 19132577 DCSZNNAYBJOULZ-QFIPXVFZSA-N 367.468 3.779 0 40 FHAB FC(F)(F)c1cccc(-c2nccnc2[C@H]2CN(CC3CC3)CCO2)c1 19693091 DNLXRZHVPNIQFU-MRXNPFEDSA-N 363.383 3.946 0 40 FHAB CC(=O)O[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1OC(C)=O 25758045 OSRHRAOBVGHGFZ-BTOHRNCKSA-N 372.461 3.722 0 40 FHAB in-vitro CC(C)(C)S[C@@H](C(=O)N1CCOCC1)c1ccc(Br)cc1 3194394 IFOWLWVKGLFLMZ-CQSZACIVSA-N 372.328 3.881 0 40 FHAB COc1ccc(CNC(=O)c2cc3c(s2)-c2ccccc2CC3)cn1 10991732 HORJYWNPSCWOQP-UHFFFAOYSA-N 350.443 3.847 0 40 FHAB CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1cccs1 24318071 HWIWGSRDHAGQBE-ACJLOTCBSA-N 360.454 3.754 0 40 FHAB O=C(Cc1ccc(Cl)cc1)N1CCC(N2CCc3sccc3C2)CC1 238916164 SNVVXZAWBLLYNU-UHFFFAOYSA-N 374.937 3.993 0 40 FHAB Cc1cc(CCC(=O)N[C@@H](Cn2nccn2)c2ccccc2)ccc1Cl 253407291 VVAVEQUVOIYHBU-IBGZPJMESA-N 368.868 3.730 0 40 FHAB COc1ccc(-c2ccc(SCC(=O)N3CCC(C)CC3)nn2)cc1 1332284 PEOQZMNADXHHPZ-UHFFFAOYSA-N 357.479 3.503 0 40 FHAB O=C(COc1cccc2ccc(N3CCCC3)nc12)Nc1ccccc1F 17177940 QEBOMYHWOWYDKT-UHFFFAOYSA-N 365.408 3.992 0 40 FHAB CSc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 40161963 CUWSNHVDTILBSH-VMPITWQZSA-N 352.503 3.880 0 40 FHAB O=C(Nc1cccc2cnccc12)C1CCN(C(=O)c2cccs2)CC1 21218313 LCVXTXFWZGNOFR-UHFFFAOYSA-N 365.458 3.787 0 40 FHAB COc1ccc(-c2noc(CCc3nc(-c4ccc(C)cc4)no3)n2)cc1 41097901 RVSACADMFXBCTI-UHFFFAOYSA-N 362.389 3.889 0 40 FHAB COc1ccc(NC(=O)c2ccnc(OCc3ccccc3)c2)cc1OC 53000594 PEWBDULWKRXHON-UHFFFAOYSA-N 364.401 3.930 0 40 FHAB C[C@]1(C(=O)Nc2ccccc2C(=O)N2CCCCC2)CC1(Cl)Cl 22191057 UWKCVYUWTDXQGO-MRXNPFEDSA-N 355.265 3.835 0 40 FHAB CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccccc1 664058 YABHPVBTDYDMJQ-UHFFFAOYSA-N 368.462 3.704 0 40 FHAB CCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccc(F)cc1 794799 DHFDZNRDDVFYEM-UHFFFAOYSA-N 365.368 3.622 0 40 FHAB CCn1c(COc2cccc3ccccc23)nnc1S[C@@H](C)C(=O)O 916142 DUFIZLYPZSYJPY-LBPRGKRZSA-N 357.435 3.595 0 40 FHAB CC(=O)N1N=C(c2c(C)nc3ccccn23)O[C@H]1c1ccccc1Cl 1016631 SDHAUMLYUUBUHZ-SFHVURJKSA-N 354.797 3.535 0 40 FHAB O=C(c1ccc(Cl)cc1)N1CCN(c2nc3ccccc3s2)CC1 1398778 LCAQNHDORKWHII-UHFFFAOYSA-N 357.866 3.912 0 40 FHAB CCN(CC)c1ccc2cc(-c3nc(=O)c4ccccc4[nH]3)c(=O)oc2c1 1849170 WFUSRMKEOWVDPU-UHFFFAOYSA-N 361.401 3.543 0 40 FHAB O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1F 1909290 BUPLDPNWAIAGLJ-UHFFFAOYSA-N 354.381 3.621 0 40 FHAB CCCCOc1ccc(C(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1 2644929 SGMOVTNFIHXFGC-UHFFFAOYSA-N 354.450 3.885 0 40 FHAB Cc1cc(C(=O)COC(=O)/C=C/c2cccs2)c(C)n1C[C@H]1CCCO1 2662505 YKJHKQLRBVBYGH-KXPUMZMLSA-N 373.474 3.785 0 40 FHAB Cc1ccc(CCC(=O)Nc2ccccc2I)o1 2708053 RMHHWFCSTRSUHV-UHFFFAOYSA-N 355.175 3.764 0 40 FHAB Cc1nn(C[C@@H](C)C(=O)Nc2cc(F)ccc2F)c(C)c1Br 2794228 JOWJXNZHZFAIAP-MRVPVSSYSA-N 372.213 3.815 0 40 FHAB Cc1noc(C)c1C(=O)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 3564209 BJDBSKJAFYJJMQ-SFHVURJKSA-N 368.364 3.967 0 40 FHAB CCCCNC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12 4084675 IUPORXFZZVYHHA-FPOVZHCZSA-N 373.456 3.554 0 40 FHAB biogenic CCOC(=O)c1c(C)c(C(=O)Nc2ccc(C(C)=O)cc2)c(C)n1CC 4162906 WEZORHUPZPDBHG-UHFFFAOYSA-N 356.422 3.756 0 40 FHAB Cc1ccc(-n2nc3c(c2NC(=O)c2cccs2)C[S@](=O)C3)c(C)c1 4224946 DWTUAZDKQIABGA-RUZDIDTESA-N 371.487 3.565 0 40 FHAB O=C(CN1CCC(C(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1 4966638 SEYKADVCXVAPSP-UHFFFAOYSA-N 356.853 3.873 0 40 FHAB COc1ccc(O)c(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)c1 4982990 GJQNMHYEVGLOBC-UHFFFAOYSA-N 370.188 3.503 0 40 FHAB CC(=O)c1ccc(NC(=O)c2cccn(Cc3ccc(C)cc3)c2=O)cc1 5270167 NFTQOBKEGQQUBS-UHFFFAOYSA-N 360.413 3.660 0 40 FHAB CC1=C(C(N)=O)[C@@H](c2ccccc2)N=C(SCc2cccc(F)c2)N1 5791555 CBWHCWWUPHJHGH-QGZVFWFLSA-N 355.438 3.519 0 40 FHAB CCCCn1c(CCn2nc(C)c(Br)c2C)n[nH]c1=S 5898010 JQLPOGRHGSJBDX-UHFFFAOYSA-N 358.309 3.559 0 40 FHAB O[C@H](CNC[C@H]1CC1(Cl)Cl)COc1ccc(-c2ccccc2)cc1 6085913 AJPQLHOKRRLUMH-IAGOWNOFSA-N 366.288 3.877 0 40 FHAB CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 6314508 GUGOJSZBFGXGQI-UHFFFAOYSA-N 374.687 3.923 0 40 FHAB COc1ccc(OC)c(NC(=O)[C@H](C)SCCOc2ccccc2)c1 6560364 FARGJVSYYPRKIQ-AWEZNQCLSA-N 361.463 3.843 0 40 FHAB O=S(=O)(Nc1ccccc1Br)c1ccc2c(c1)CCC2 6919733 IJMXBNXBPOBFJM-UHFFFAOYSA-N 352.253 3.739 0 40 FHAB COc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1OC 6931894 PBXUKRVSQHAIGF-UHFFFAOYSA-N 374.868 3.628 0 40 FHAB COC(=O)c1cccc(CSc2nnc(-c3ccc(OC)cc3)o2)c1 6944772 CBDXVZZDMZQUCX-UHFFFAOYSA-N 356.403 3.824 0 40 FHAB Cc1ccc(CNC(=O)CSc2nnc(C)n2-c2ccc(C)cc2)cc1 6965981 IIZYYUMDENVVRE-UHFFFAOYSA-N 366.490 3.601 0 40 FHAB CN(C)S(=O)(=O)c1ccc2[nH]c(/C(Cl)=C/c3ccccc3)nc2c1 7333233 RJCDSMUYKNVWMJ-UVTDQMKNSA-N 361.854 3.550 0 40 FHAB CCOc1ccc(NS(=O)(=O)c2cc(Cl)c(C)cc2OC)cc1 8132556 CBDJVMLYPVUGPX-UHFFFAOYSA-N 355.843 3.857 0 40 FHAB C[C@H](c1ccccc1)N(C)C(=O)CSc1nncn1-c1ccccc1F 8401651 KCBZDRZHEDTFDG-CQSZACIVSA-N 370.453 3.718 0 40 FHAB CC(C)C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 8516879 STARBLMLXOFHJA-KRWDZBQOSA-N 361.463 3.524 0 40 FHAB COc1cc([C@H]2Nc3ccccc3C(=O)N2C2CCCC2)cc2c1OCO2 8720925 LSALHFGKWCVUEN-FQEVSTJZSA-N 366.417 3.933 0 40 FHAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1cnccn1 8727876 HHYOSPVGDXKMKM-UHFFFAOYSA-N 369.428 3.602 0 40 FHAB NC(=O)c1cc(Cl)ccc1OCc1cc(=O)oc2cc3c(cc12)CCC3 8756752 PKNIVGIWNHIZIT-UHFFFAOYSA-N 369.804 3.613 0 40 FHAB O=c1[nH]c2ccccc2c(-c2ccccc2)c1-n1cnc2sccc2c1=O 9112386 VNGXTBMXORHGFW-UHFFFAOYSA-N 371.421 3.956 0 40 FHAB Cc1cc(C)c(-c2csc(NC(=O)Cn3c(C)csc3=O)n2)cc1C 9727889 QHFWKYIAYMYKRF-UHFFFAOYSA-N 373.503 3.906 0 40 FHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccc(F)cc1Cl 11157808 BMCJFXSABWCPLW-LLVKDONJSA-N 361.804 3.655 0 40 FHAB CC[C@@H](C)c1ccccc1NCc1nnc2n(C)c(=O)c3ccccc3n12 11724625 AHZADLIVNQCRLZ-CQSZACIVSA-N 361.449 3.707 0 40 FHAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@H](C)c3nc4ccccc4[nH]3)c12 12602912 KOHWXEAKSWSKHV-LLVKDONJSA-N 361.405 3.776 0 40 FHAB COc1cc(NC(=O)c2cnc3c(cnn3C(C)C)c2)c(OC)cc1Cl 12622114 WXBYEMAJYRGQPG-UHFFFAOYSA-N 374.828 3.935 0 40 FHAB CCc1cccc(C)c1NC(=O)c1ccc(N(CC)S(C)(=O)=O)cc1 13677580 GUEMZVRXSJTASW-UHFFFAOYSA-N 360.479 3.596 0 40 FHAB CNC(=O)c1ccc(CN(C)C(=O)COc2cc(C)ccc2C(C)C)cc1 14185327 JFHPFHIGGHEKFW-UHFFFAOYSA-N 368.477 3.515 0 40 FHAB Cc1c(C(=O)NCCCCOc2ccc(F)cc2)[nH]c2c1C(=O)CCC2 14200412 DLPGXFNWUQZDPU-UHFFFAOYSA-N 358.413 3.570 0 40 FHAB Cc1nc(SCCOc2ccccc2Cl)c(C(N)=O)c(C)c1C 14248700 OVRXSXGTIGTUHM-UHFFFAOYSA-N 350.871 3.930 0 40 FHAB CCn1cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)C)c(C)n1 17075265 CBZCEOQXKIUOMD-UHFFFAOYSA-N 366.469 3.975 0 40 FHAB CCN(CC)CCCNc1ncnc2c1cnn2-c1cc(Cl)ccc1C 17287552 FQYLPJCRLGBYGR-UHFFFAOYSA-N 372.904 3.921 0 40 FHAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1ccc(F)cc1Cl 19679085 PXZSSRRQQSNABA-UHFFFAOYSA-N 371.755 3.574 0 40 FHAB CC[C@@H](CN1CCCC1)n1cncc1-c1cnc(N2CCC(C)CC2)nc1 19719982 OWAAAMIFACXZHI-IBGZPJMESA-N 368.529 3.623 0 40 FHAB CCCC[C@@H](c1nnnn1C(C)(C)CC)N1CCN(C2CCCC2)CC1 20139884 USCVMZWOGMMWTF-SFHVURJKSA-N 362.566 3.610 0 40 FHAB CSc1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 20455102 KHNMQGUWFMVYRY-UHFFFAOYSA-N 370.883 3.686 0 40 FHAB O=S(=O)(c1ccc(Cl)cc1)N1CC=C(c2c[nH]c3ncccc23)CC1 22405761 OIFHDLBHSASXQG-UHFFFAOYSA-N 373.865 3.694 0 40 FHAB C[C@@H](OC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)NC1CCCCC1 23079762 NBKHCJFPVGGLSZ-GFCCVEGCSA-N 357.372 3.629 0 40 FHAB CC(C)[C@H](NC(=O)c1ccc(=O)n(C)n1)c1ccc(C2CCCCC2)cc1 23183071 PJDNXWBPWZIUAD-NRFANRHFSA-N 367.493 3.955 0 40 FHAB COC(=O)c1ccoc1COc1ccccc1C(=O)Nc1ccccc1 23446269 KDQHCDSHPAAHAT-UHFFFAOYSA-N 351.358 3.898 0 40 FHAB C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccccc1 25714388 LWAVHRZVEMHMSF-GDBMZVCRSA-N 356.853 3.613 0 40 FHAB CCc1cc2c(=O)n(Cc3ccc(OC(F)F)c(OC)c3)cnc2s1 28032978 YACOJMCLXORCMX-UHFFFAOYSA-N 366.389 3.679 0 40 FHAB Cc1cc(=O)n2nc(CN3CCCc4cc(C(C)C)ccc43)sc2n1 30141119 MRNKTSUEESJETE-UHFFFAOYSA-N 354.479 3.536 0 40 FHAB Cc1ccc(OCc2nc(C)c(C(=O)OCc3cc(C)no3)s2)cc1 30399530 HXXDLNVPBYQJOP-UHFFFAOYSA-N 358.419 3.992 0 40 FHAB CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)n2cnc3ccccc32)c1 31834603 CCYOQYQCBJJHIR-HNNXBMFYSA-N 364.449 3.718 0 40 FHAB COc1ccc(-c2csc(CCNC(=O)Cc3cccs3)n2)cc1 31848820 PPRKSQUNHZPYPD-UHFFFAOYSA-N 358.488 3.782 0 40 FHAB C[C@H](Sc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NC[C@@H]1CCCO1 32883821 WMRBAGOPEOLYCR-FZMZJTMJSA-N 366.870 3.771 0 40 FHAB CC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)NCc1ccc(C)cc1 32908150 HTSRFEIXBWXULF-UHFFFAOYSA-N 369.490 3.582 0 40 FHAB O=C(NCc1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 35289583 OFXLUZZYBAIKGN-QGZVFWFLSA-N 357.841 3.653 0 40 FHAB O=C(NCCCc1ccc(F)cc1)C1CCN(Cc2ccc(F)cc2)CC1 39772300 ZGVKSMANEBRSCV-UHFFFAOYSA-N 372.459 3.926 0 40 FHAB COC(=O)C[C@@H](NC(=O)c1cc(F)c(F)cc1Cl)c1ccccc1 40009889 UBEKYKRHWUSUFR-OAHLLOKOSA-N 353.752 3.652 0 40 FHAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(F)cc1Br 40108293 SEFOHVZRMINTBN-ABAIWWIYSA-N 358.251 3.913 0 40 FHAB CC(=O)c1cccc(NC(=O)Cc2csc(Cc3ccccn3)n2)c1 41612162 WFMQPDRRLINCJC-UHFFFAOYSA-N 351.431 3.513 0 40 FHAB CC(=O)Nc1cc(NC(=O)CC2(C(=O)O)CCCCCC2)ccc1F 42734487 JCVPPSBQXPNEPW-UHFFFAOYSA-N 350.390 3.538 0 40 FHAB Cc1ccc(C)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c1 44899947 CXIVWWWNSVAODH-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB O[C@H]1c2cc(Cl)cc(Cl)c2O[C@@]2(N3CCOCC3)CCCC[C@H]12 45028136 AHNURJARIRFRSR-KMFMINBZSA-N 358.265 3.638 0 40 FHAB CCC[C@@H](NC(=O)[C@H](C)NCCOc1ccccc1F)c1ccccc1 49581039 NEYHJMQJMKWEME-QFBILLFUSA-N 358.457 3.840 0 40 FHAB Cc1ccc2c(CN3CCN(c4ccccc4F)CC3)cc(=O)oc2c1C 54105985 XMCZFKZYABFVNI-UHFFFAOYSA-N 366.436 3.871 0 40 FHAB biogenic COc1ccc(-c2cc(CN3CCN(c4ccc(F)cc4)CC3)on2)cc1 57414791 GAPYLXZWIDBZQK-UHFFFAOYSA-N 367.424 3.812 0 40 FHAB Cc1ccnn1-c1cccc(NC(=O)CCC(=O)c2ccc(F)cc2)c1 58004972 ICLOVNHBXPDKNG-UHFFFAOYSA-N 351.381 3.921 0 40 FHAB CCOc1ccccc1NC(=O)COc1ccc2c(c1)OC(C)(C)CC2=O 58014494 NMROTHHEWQPSSG-UHFFFAOYSA-N 369.417 3.847 0 40 FHAB CCOc1ccccc1-c1noc(COc2ccccc2C(=O)OC)n1 58017925 XYYJPNSPOHVOFA-UHFFFAOYSA-N 354.362 3.501 0 40 FHAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCC[C@@H]1CC1CCCCC1 58218527 GXRFIZVGEORZKW-QGZVFWFLSA-N 367.493 3.817 0 40 FHAB Cc1ccc(NC(=O)N[C@H](Cn2cncn2)c2ccccc2)cc1Cl 58316840 LLJBXVYEPQGTKM-QGZVFWFLSA-N 355.829 3.803 0 40 FHAB O=C(c1sc(-n2cccc2)nc1-c1ccccc1)N1CCSCC1 61720157 DWOZXTYJLHNQKP-UHFFFAOYSA-N 355.488 3.790 0 40 FHAB Cc1cccc2[nH]c3c(N4CCN(Cc5ccccc5)CC4)ncnc3c12 61935705 VGEJQLCXXWRUDC-UHFFFAOYSA-N 357.461 3.742 0 40 FHAB O=C(Nc1ncn(Cc2ccccc2)n1)[C@@H]1CCCC[C@@H]1C(F)(F)F 64808337 VDKKMIIBEIISAR-KGLIPLIRSA-N 352.360 3.634 0 40 FHAB COc1ncc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1C 72217760 KSFVWRLXPCSVJM-SFHVURJKSA-N 360.479 3.623 0 40 FHAB COc1cccc([C@@H](C)N2CCN(c3ccc(C(C)=O)cc3F)CC2)c1 72309061 DPDZTDRKVBQLIZ-OAHLLOKOSA-N 356.441 3.920 0 40 FHAB COc1cc(-c2nc3cnccn3c2NC2CCCC2)cc(OC)c1OC 72341906 HSQFVSQFODPZRU-UHFFFAOYSA-N 368.437 3.777 0 40 FHAB Cc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@@H]1SCCc2sccc21 76091686 XQKNSNGSASSLAI-MLGOLLRUSA-N 361.488 3.957 0 40 FHAB CCCCC[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)C(=O)OC 79024750 HMWZNYCPLZWNMM-MRXNPFEDSA-N 358.438 3.512 0 40 FHAB C[C@H](Sc1ccccn1)C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 79060149 UPHASLQFSHKJJL-IINYFYTJSA-N 371.289 3.719 0 40 FHAB COc1cccc([C@@H](OC(=O)c2cnc3ccccn3c2=O)C(C)(C)C)c1 84169184 RTLUJAQAEPZZOW-GOSISDBHSA-N 366.417 3.647 0 40 FHAB CCOc1ccc([C@H](N)c2n[nH]c(-c3cccc(Cl)c3)n2)cc1OCC 95534518 VGIWJJBKRYTUCH-KRWDZBQOSA-N 372.856 3.971 0 40 FHAB CNC(=O)c1ccc(/C=C/C(=O)Nc2ccc3cccc(Cl)c3n2)cc1 96002302 PRQPKLHPSSDPQU-KPKJPENVSA-N 365.820 3.900 0 40 FHAB O=C(Cc1cccnc1)N1CCC2(CCN(CC3CCCCC3)C2)CC1 96157672 WMVRASGRSCNIPR-UHFFFAOYSA-N 355.526 3.519 0 40 FHAB O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CC[C@H]2OCCC[C@@H]2C1 97019291 UBMUZPOCKOVNOM-DYESRHJHSA-N 361.445 3.667 0 40 FHAB COc1ccc([C@@H]2Cn3nc(-c4nc(C(C)(C)C)no4)cc3CO2)cc1 97077854 CXBNGDDVOXJJIP-INIZCTEOSA-N 354.410 3.511 0 40 FHAB COC(=O)c1ccc2c(c1)[C@H]1C[C@](C)(O2)N(c2cc(C)cc(C)c2)C(=O)N1 101085148 LWBUJUNMUGSLDL-UTKZUKDTSA-N 366.417 3.860 0 40 FHAB Cc1ccccc1CN1CC[C@]2(COCc3cnc(-c4cccnc4)nc32)C1 107248546 PKVOCIQBDCMKIS-HSZRJFAPSA-N 372.472 3.521 0 40 FHAB CC[C@@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CCN1C[C@H](C)O 108090536 UCHGZMFBWCEKSC-LAUBAEHRSA-N 367.493 3.663 0 40 FHAB COc1cccc(C)c1NS(=O)(=O)c1ccc(Br)cc1 194214077 YOVWXGPDAGRCAT-UHFFFAOYSA-N 356.241 3.567 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 219542656 FNTKSASUBJLUNR-IAGOWNOFSA-N 357.450 3.663 0 40 FHAB CCCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCc1ccc(C)cc1 222752377 YWSMEYVQFSSBHG-SFHVURJKSA-N 352.478 3.829 0 40 FHAB COc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2SC)cc1 223432740 FSRKNBFFGYYFFH-UHFFFAOYSA-N 357.884 3.549 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C 223585187 QZNNPJQBMFYUMA-IBGZPJMESA-N 366.505 3.708 0 40 FHAB COc1ccc(OCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 224129406 TWBBURQKABTJEN-INIZCTEOSA-N 371.477 3.955 0 40 FHAB COc1cc(OC)cc(OCC(=O)Nc2ccc3c4c(cccc24)CC3)c1 224255653 XYBBHOUYWGVPFM-UHFFFAOYSA-N 363.413 3.973 0 40 FHAB CC(C)CNC(=O)CCc1ncc(-c2ccc(Br)cc2)o1 224874032 YAAUMOPWOFKBPK-UHFFFAOYSA-N 351.244 3.809 0 40 FHAB O=C(NC[C@](O)(c1ccco1)c1cccs1)c1ccc2ncsc2c1 225586061 ISOLFIBIRFZRDJ-SFHVURJKSA-N 370.455 3.617 0 40 FHAB Cc1cc(-c2nc3cc(N)ccc3o2)ccc1I 226239643 VQBZBJHPXJEENN-UHFFFAOYSA-N 350.159 3.990 0 40 FHAB CCCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCC(C)CC1 226277185 IPMBKYXBLOFVIB-UHFFFAOYSA-N 372.387 3.991 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)Cc2cc3ccccc3o2)cc1 253472608 NVVHBPZRBIHFOJ-CYBMUJFWSA-N 357.431 3.545 0 40 FHAB Cc1cc(-c2cccc(C(=O)O)c2)nc([C@H]2CCCN2C(=O)C(C)(C)C)n1 257225381 FFXZVEAJZAJEBX-QGZVFWFLSA-N 367.449 3.860 0 40 FHAB COc1cccc(N(Cc2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 408628453 XNUQQELXMRVYCR-UHFFFAOYSA-N 360.262 3.968 0 40 FHAB CCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)N(C)C1=S 409039440 RARCHSLEAHLRRD-LGMDPLHJSA-N 352.459 3.685 0 40 FHAB O=C1N/C(=C/c2cc(Cl)cc(Cl)c2O)C(=O)N1Cc1ccccc1 409236589 TVEVBKWMAXWOBV-VGOFMYFVSA-N 363.200 3.792 0 40 FHAB Cc1ccccc1[C@H](C)c1noc(-c2ccc(NS(C)(=O)=O)cc2)n1 545129790 VYXJQSXAQSAHNQ-ZDUSSCGKSA-N 357.435 3.568 0 40 FHAB O=C(N1CC[C@@H](Oc2ncccn2)C1)N(c1ccccc1)c1ccccc1 575609945 CHNRWFVRLIPXTK-LJQANCHMSA-N 360.417 3.888 0 40 FHAB Cc1cc(C)cc(C(=O)N2CCC3(CCCN(CC4CC4)C3=O)CC2)c1 585102538 LUMKKTATVLRITJ-UHFFFAOYSA-N 354.494 3.558 0 40 FHAB CCOc1ccc(CN[C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)cc1 585288512 CPZPAJVPWZXWBN-PWRODBHTSA-N 359.441 3.675 0 40 FHAB COc1ccc(C)cc1[C@@H](C)NC(=O)[C@H](C)n1ccc(C(F)(F)F)n1 1527804396 LEGXCGSZXXWVGZ-NEPJUHHUSA-N 355.360 3.657 0 40 FHAB COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H](C)n1ccc(C(F)(F)F)n1 1527804397 LEGXCGSZXXWVGZ-VXGBXAGGSA-N 355.360 3.657 0 40 FHAB COc1cccc2c1OC1(CCN(C3CCOCC3)CC1)[C@H]1CCCO[C@H]21 1615526303 PEJVQPCVZDGZEW-AZUAARDMSA-N 373.493 3.569 0 40 FHAB C=CC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)[C@@H](O)CCCC3)cc1 1645059657 WDFWCKCTRSYSRS-IBGZPJMESA-N 350.418 3.823 0 40 FHAB CCn1c(COc2cccc3ccccc23)nnc1S[C@@H](C)C(=O)OC 916167 JMPXZBFWFPWPEC-ZDUSSCGKSA-N 371.462 3.684 0 40 FHAB O=C(CCn1c(=S)[nH]c2ccccc2c1=O)N1CCC[C@H]2CCCC[C@H]21 78438694 KXTBTDYKGRDANC-RHSMWYFYSA-N 371.506 3.630 0 40 FHAB CS(=O)(=O)c1ccc2nc(NC(=O)c3cc4ccccc4o3)sc2c1 783736 LWOAKRUHJSXTEA-UHFFFAOYSA-N 372.427 3.698 0 40 FHAB Cc1nccc(C(=O)N(C)[C@@]2(c3ccccc3Cl)CCCCC2=O)n1 79812665 NYJOCPVCXLWSKT-LJQANCHMSA-N 357.841 3.549 0 40 FHAB CCc1cc2c(=O)c(-c3csc(C)n3)coc2cc1O[C@H](C)C(=O)O 937124 HWOXVKNHXRSFOH-SECBINFHSA-N 359.403 3.639 0 40 FHAB CCCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccnc1 4161403 DWRFTDVEQMJUJH-UHFFFAOYSA-N 367.478 3.871 0 40 FHAB Cc1cc(-c2ccccc2)nc(SCC(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)n1 4821383 SFWBPEWXVHNEQZ-LESCRADOSA-N 353.491 3.849 0 40 FHAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl 6993586 GFZRUNBQDXHMKQ-UHFFFAOYSA-N 369.223 3.772 0 40 FHAB CC(C)c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 7708381 VHUKAIKACIIVPI-UHFFFAOYSA-N 358.463 3.738 0 40 FHAB Cc1ccc(OCCC(=O)OCC(=O)c2c(C)[nH]c3ccccc23)cc1 7787013 ZQXCUFDPOLHOOY-UHFFFAOYSA-N 351.402 3.980 0 40 FHAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)c(Cl)c1 57785415 SZKZQSCXKBYMKP-UHFFFAOYSA-N 364.854 3.588 0 40 FHAB Cc1c(F)cccc1NC(=O)Cn1nc(COc2ccccc2)oc1=S 8330387 JBZZONKVCLHWRA-UHFFFAOYSA-N 373.409 3.871 0 40 FHAB Cc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1cccc(Cl)c1 8415863 LFXSHJCBOATESC-UHFFFAOYSA-N 374.824 3.549 0 40 FHAB Cc1[nH]c(=S)sc1CC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 12547746 DHHZTEKPPLTMTN-NSHDSACASA-N 358.492 3.720 0 40 FHAB CCN(CC)C(=O)c1cc(Br)cc(Br)c1OC 59843517 BNPWIFUEGWVDBU-UHFFFAOYSA-N 365.065 3.702 0 40 FHAB Cc1ccc(NC(=O)COC(=O)Cc2ccsc2)c(Br)c1 3252261 NYPJYJSYMDYZER-UHFFFAOYSA-N 368.252 3.543 0 40 FHAB Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@H](c1ccsc1)N(C)C 25332028 GEQDUXQRUGHGLU-GOSISDBHSA-N 369.490 3.673 0 40 FHAB CCOc1ccc(C(=O)[C@H](C)OC(=O)c2cccnc2N2CCCC2)cc1 25605152 CLYDNDJUVFUCBF-HNNXBMFYSA-N 368.433 3.509 0 40 FHAB C/C=C/C(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1 9062206 PMQXSFDOYURQML-KRXBUXKQSA-N 364.430 3.972 0 40 FHAB CCNC(=O)[C@H](C)Nc1nc(-c2cccs2)nc2sc(C)c(C)c12 12685701 LVNLYEBOIQSRGE-JTQLQIEISA-N 360.508 3.973 0 40 FHAB COc1cc(N[C@H](C)C(=O)Nc2ccccc2C)ccc1N1CCCC1=O 10184970 SAMSRPUZPHJNRR-OAHLLOKOSA-N 367.449 3.570 0 40 FHAB Cc1ccc(-c2nonc2NC(=O)COc2cccc(C)c2C)cc1C 27583238 RBUKTEWWBJHQJP-UHFFFAOYSA-N 351.406 3.988 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)n2C)cc1 10264016 IUSNEYYXCZOYEB-ZBFHGGJFSA-N 358.511 3.578 0 40 FHAB COc1ccc(CC[C@@H](C)NC(=O)c2ccc(C(F)(F)F)nc2O)cc1 58266157 QHXZOJTXMADXIT-LLVKDONJSA-N 368.355 3.566 0 40 FHAB COc1cc([C@H](C)NC(=O)N(C)Cc2cscn2)ccc1OC(C)C 58363886 WJTRGFAZBLFQIK-ZDUSSCGKSA-N 363.483 3.842 0 40 FHAB CC[C@@H](C)C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC 12794494 BKICXDXDGPKEAP-CYBMUJFWSA-N 356.422 3.941 0 40 FHAB CC[C@H](Oc1ccccc1)C(=O)N(C)Cc1nc(-c2cccs2)no1 28188859 OTSNKJOSFJJSKF-AWEZNQCLSA-N 357.435 3.614 0 40 FHAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccccc1Cl 12797560 ASYDILKKGOPFCR-UHFFFAOYSA-N 355.825 3.695 0 40 FHAB Cc1ccccc1SCC(=O)O[C@H](C)C(=O)Nc1ccc(N(C)C)cc1 3381587 NNLYQFJCJPCNGD-OAHLLOKOSA-N 372.490 3.724 0 40 FHAB COc1cccc(NC(=O)c2c3c(nc4c2cnn4C(C)C)CCC3)c1 36358372 PPCOVLYNAWSYLA-UHFFFAOYSA-N 350.422 3.762 0 40 FHAB O=C(NCc1coc(-c2cccs2)n1)N1CCC[C@@H]1c1ccncc1 45345375 QJWZVWMMEMNQFE-OAHLLOKOSA-N 354.435 3.845 0 40 FHAB Cc1ccccc1NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 10328061 UZJNSSXRFMQYBZ-UHFFFAOYSA-N 374.506 3.697 0 40 FHAB CCOC(=O)c1ccc(N(C)Cc2c(C)nn(-c3ccccc3)c2C)nc1 24054163 QGWWELQFNZDLLR-UHFFFAOYSA-N 364.449 3.697 0 40 FHAB O=C(O)CCCCCCC(=O)c1ccc(I)cc1 2579892 GAYVFLJPVCGUSY-UHFFFAOYSA-N 360.191 3.899 0 40 FHAB O=C(OCc1c(F)c(F)c(F)c(F)c1F)c1ccc2c(c1)OCCCO2 23264212 QRJLBBLCNDPXQJ-UHFFFAOYSA-N 374.261 3.900 0 40 FHAB COc1ccccc1NC(=O)N(CCCO)[C@@H]1CCCc2ccccc21 72306176 SHNZJEPZPISZSO-LJQANCHMSA-N 354.450 3.989 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc3ccccc3cc2O)c1C 3587608 FBZSZXOQGQIMQP-UHFFFAOYSA-N 365.385 3.733 0 40 FHAB Cc1cccc(N2CCN(C(=O)c3sc(-n4cccc4)nc3C)CC2)c1 49006237 FVVASBSRJLWVTM-UHFFFAOYSA-N 366.490 3.513 0 40 FHAB Cc1cccc(C(=O)O)c1NS(=O)(=O)c1cccc(C(F)(F)F)c1 13464563 DNWXJQJCUWGJPQ-UHFFFAOYSA-N 359.325 3.513 0 40 FHAB Cc1ccc(C)c(-n2nnnc2SCC(=O)c2cc(F)ccc2F)c1 6098703 PKXQZOWBNNBFNO-UHFFFAOYSA-N 360.389 3.532 0 40 FHAB O=C(NCC(F)(F)F)c1cn(-c2ccccc2)nc1-c1cccs1 5172465 SYVWHLLFFJSPFH-UHFFFAOYSA-N 351.353 3.893 0 40 FHAB CC(C)C[C@@H](NC(=O)C1CCC(C)CC1)C(=O)OCC(=O)c1ccccc1 4320746 PYKXGWZKUWCROJ-NKELODKYSA-N 373.493 3.770 0 40 FHAB CC1=C(C(=O)OC(C)C)[C@@H](c2c(Cl)cccc2Cl)n2ncnc2N1 4342121 NTDWVMWYPKZQGJ-AWEZNQCLSA-N 367.236 3.825 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1 6316443 WVPAJCCXADRMNQ-UHFFFAOYSA-N 374.231 3.788 0 40 FHAB CCCn1nccc1C(=O)Nc1cnn(Cc2c(F)cccc2Cl)c1 28244089 NLQYIHCCXBEXAP-UHFFFAOYSA-N 361.808 3.583 0 40 FHAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)NC(C)C)ccc12 5347698 DTYKSWHGSXNAKG-UHFFFAOYSA-N 365.429 3.596 0 40 FHAB Cc1oc2cc3oc(=O)c(CCC(=O)n4ccnc4)c(C)c3cc2c1C 6624271 JPQHGVVCFWSBOR-UHFFFAOYSA-N 350.374 3.934 0 40 FHAB biogenic C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)N1CCc2ccccc21 9313498 NMLGGMDWBILBDD-CYBMUJFWSA-N 350.447 3.542 0 40 FHAB COc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)n2)cc1 9318060 NUDNJIBZCLZPRW-CYBMUJFWSA-N 369.808 3.919 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)c2nnc(-c3cccs3)o2)c1C 6842747 NANQFSVEYKTELM-NSHDSACASA-N 359.407 3.864 0 40 FHAB CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2ccccc2)c1 7070876 QFCDCKBLBLVDAF-UHFFFAOYSA-N 360.479 3.586 0 40 FHAB CCNc1nnc(SCc2nc(-c3cccc(Cl)c3)no2)s1 7248632 DRQAYWIZDRCFGF-UHFFFAOYSA-N 353.860 3.966 0 40 FHAB C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)N1CCCc2ccccc21 9482579 LXLSLWHKZYVCSY-LBPRGKRZSA-N 370.503 3.993 0 40 FHAB O=C1c2ccccc2N[C@H](c2ccncc2)N1Cc1ccc2c(c1)OCO2 7885180 UHNLMJUMCDOKMU-FQEVSTJZSA-N 359.385 3.577 0 40 FHAB Cc1ccc(Cl)cc1N1CCN(C(=O)NCc2ccc(F)cc2)CC1 7986635 JRFNVNLEKBYEMQ-UHFFFAOYSA-N 361.848 3.819 0 40 FHAB CCOc1ccc(OCC)c(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 9479815 MKISYDCRIZIVNG-UHFFFAOYSA-N 368.433 3.629 0 40 FHAB Cc1noc2ncc(C(=O)N(C)[C@H](c3ccccc3)c3ccccn3)cc12 69483938 GGJXVFIICHQOKN-LJQANCHMSA-N 358.401 3.788 0 40 FHAB Cc1cc(N2C[C@@]3(F)CN(Cc4cccs4)C[C@@]3(F)C2=O)c(C)s1 306139980 UGAQMQJIEJHOED-DLBZAZTESA-N 368.474 3.705 0 40 FHAB CCCC[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2ON1c1ccccc1 18119882 PRSOMMYGWKCUOK-QYZOEREBSA-N 350.418 3.555 0 40 FHAB COc1cc(NC(=O)[C@@H](C)Sc2nc3ccccc3n2C)cc(OC)c1 8808070 YMZOYQOOFCSFMP-GFCCVEGCSA-N 371.462 3.710 0 40 FHAB CCCCOc1cc(S(=O)(=O)n2nnc3ccccc32)ccc1Cl 19909474 XVATVVCHAKYKEO-UHFFFAOYSA-N 365.842 3.501 0 40 FHAB CCOC(=O)Nc1nnc(SCC(=O)c2cc(C)sc2C)s1 84794453 ADMYPYQJFCAOFF-UHFFFAOYSA-N 357.482 3.760 0 40 FHAB Cc1n[nH]c(-c2ccc(Cl)cc2)c1CC(=O)N[C@@H]1CCOC(C)(C)C1 95477345 WCGDIDGJZYRRLW-OAHLLOKOSA-N 361.873 3.655 0 40 FHAB CCN(Cc1ccccc1)C(=O)C1CCN(Cc2cccc(O)c2)CC1 9849415 FVPCUNKVWNJQAE-UHFFFAOYSA-N 352.478 3.653 0 40 FHAB CCN(C(=O)c1nnn(-c2cccc3cnccc23)c1C)[C@@H](C)C(C)C 95953734 ZTQFBJYTICQYNZ-AWEZNQCLSA-N 351.454 3.631 0 40 FHAB O=C(c1cc(F)c(F)c(F)c1)c1ccccc1CN1CCSCC1 85651706 KADSAPTVHTWSMO-UHFFFAOYSA-N 351.393 3.884 0 40 FHAB O=C1N/C(=C/c2ccc(N3CCCCCC3)o2)C(=O)N1Cc1ccccc1 409232420 HLRGIUHVSGIKAN-NBVRZTHBSA-N 365.433 3.753 0 40 FHAB c1csc(-c2ccc3c([C@@H]4CN(Cc5ccoc5)CCO4)nnn3c2)c1 306141372 VTIGKTXBKOZGKB-KRWDZBQOSA-N 366.446 3.624 0 40 FHAB CCCOc1ccc2cc(S(=O)(=O)n3nnc4ccccc43)ccc2c1 36636387 NHJODGDJWJYLBE-UHFFFAOYSA-N 367.430 3.610 0 40 FHAB C[C@H]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(I)cc2)C1 32109873 UKUJCWUKFVTSPO-WDMOLILDSA-N 357.235 3.846 0 40 FHAB CC[C@@H](O)[C@H](C)c1nnc(N2Cc3ccccc3C2)n1Cc1ccccc1 1521706840 VYIGWSBLYQPKHC-OXJNMPFZSA-N 362.477 3.721 0 40 FHAB COCCN(C(=O)c1cccc(Cl)c1)c1nnc(-c2ccncc2)s1 35315949 JQMOJKCAWLBMDE-UHFFFAOYSA-N 374.853 3.547 0 40 FHAB CCCNC(=O)CSc1nc(-c2ccccc2)c2nc(C)sc2n1 35682701 WVWJCGKJOVJCQQ-UHFFFAOYSA-N 358.492 3.680 0 40 FHAB C[C@H](Oc1ccc(Br)cc1)C(=O)NCCSC(C)(C)C 219676552 MMSDUATVGKBIIO-NSHDSACASA-N 360.317 3.864 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)NCCCc1cccc(OC(C)C)c1 219498110 FPJFNLOTJPPHHK-KRWDZBQOSA-N 371.477 3.999 0 40 FHAB O=C(Cc1ccc(F)cc1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 70635389 OEPYXDKOXQABHM-KRWDZBQOSA-N 367.342 3.987 0 40 FHAB COc1ccc2cc(C(=O)N(C)c3ccccc3)sc(=O)c2c1OC 1565524892 SIEXUUWNTFUONV-UHFFFAOYSA-N 355.415 3.555 0 40 FHAB O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccccc2F)C1)C1CC1 72398548 YKWLJDCNBGOAHX-RXVVDRJESA-N 367.468 3.700 0 40 FHAB COc1cccc2cc(C(=O)NCc3ccccc3CN3CCCC3)oc12 73897000 KDKXBENDPHQUGM-UHFFFAOYSA-N 364.445 3.967 0 40 FHAB COc1ccc(-c2nc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)no2)cc1 44421705 PMOQMKCVPSCEOS-ZDUSSCGKSA-N 369.808 3.919 0 40 FHAB CC1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc2ccccc2c1 71979881 AJULDQQYOBKKAN-TUVDCLKLSA-N 353.418 3.672 0 40 FHAB CCc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1 222509951 OMCAPMMVRYZZPM-UHFFFAOYSA-N 366.870 3.551 0 40 FHAB O=C(NCCSC1CCCC1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 223336479 PKKTYSZRHXMNAN-QGZVFWFLSA-N 364.530 3.830 0 40 FHAB O=C(Nc1ccc2c(c1)OCCO2)c1snnc1-c1ccc(Cl)cc1 225770478 YJJCLKCYMZRZKR-UHFFFAOYSA-N 373.821 3.882 0 40 FHAB C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)c1ccc(OC(F)(F)F)cc1 225599917 RAESFFNDARIJIO-GFCCVEGCSA-N 365.351 3.881 0 40 FHAB Cc1ccc([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 44901781 BMKQTNPZONFMMP-LBPRGKRZSA-N 366.870 3.511 0 40 FHAB CCCCc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)O)c2)cc1 226856956 PMYJQULEYWEZOG-UHFFFAOYSA-N 363.435 3.537 0 40 FHAB O=C(c1cccc2[nH]ccc12)N1CCC(O)(c2ccc(Cl)cc2)CC1 96117062 TVTQGPGFOUBXSW-UHFFFAOYSA-N 354.837 3.945 0 40 FHAB O=C(O)c1ccc([C@H]2SCC(O)=Nc3c2cnn3-c2ccccc2)cc1 95478026 WXPGFZXGDKBFSD-QGZVFWFLSA-N 365.414 3.995 0 40 FHAB Cc1ccc(S(=O)(=O)N2[C@H](C(Cl)(Cl)Cl)[C@H]3C=C[C@H]2C3)cc1 245377398 KOPDSVZGKUSECV-GVXVVHGQSA-N 366.697 3.683 0 40 FHAB Cc1nc(-c2ccnn2C(C)C)cc([C@H]2CCCN(C(=O)C(C)(C)C)C2)n1 257212862 CFGISVSOBULEFT-INIZCTEOSA-N 369.513 3.982 0 40 FHAB Cc1c(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3C)[nH]c2ccc(F)cc12 257287384 PPSBBUQXRKXNQB-HEFCWWFNSA-N 355.457 3.703 0 40 FHAB Cc1nc(-c2ncc[nH]2)cc(C2CCN(Cc3ccccc3F)CC2)n1 257284788 PEHRQXRGLIQGCE-UHFFFAOYSA-N 351.429 3.694 0 40 FHAB O=C(c1ccc([C@@H]2CCCOC2)cc1)N1CCOc2c(F)ccc(F)c21 650778741 AWLSGRPXKXYWRN-OAHLLOKOSA-N 359.372 3.898 0 40 FHAB Cc1ccccc1C1(C(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)CC1 66705744 WGWDFILQKBFJRS-LJQANCHMSA-N 357.400 3.905 0 40 FHAB Cc1cccc(CSc2nc(=O)n(Cc3ccccn3)c3c2CCC3)c1 5264239 OTMBUSGCJUQZGQ-UHFFFAOYSA-N 363.486 3.776 0 40 FHAB CCCCCCC1=NN(C(=O)c2ccccc2O)[C@@](O)(C(F)(F)F)C1 5792310 KEJDHLBDZFUUMR-INIZCTEOSA-N 358.360 3.815 0 40 FHAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(OC)cc2)cc1 11636901 YXGQTGXMJNVSIF-SFHVURJKSA-N 357.406 3.668 0 40 FHAB COc1cccc(NC(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)C2)c1 12471729 OASMZMFZFUKDCS-FRQCXROJSA-N 373.497 3.634 0 40 FHAB OCCN(Cc1cccnc1)Cc1ccccc1OCc1cccc(F)c1 13569640 OPFICVZVILFOKC-UHFFFAOYSA-N 366.436 3.794 0 40 FHAB Cn1ccnc1-c1nc(NCCc2ccccn2)ncc1-c1ccccc1F 19291690 RLXUUVMPOQMCEB-UHFFFAOYSA-N 374.423 3.733 0 40 FHAB COc1ccc([C@@H]2[C@@H](NC(=O)Cc3ccccn3)[C@@H]3CCCC[C@H]32)cc1 19557545 PTSQYYLFOYPPSL-WKDRNLAYSA-N 350.462 3.721 0 40 FHAB COc1ccc(CCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 169884562 BBMSXWZJXPPVBV-UHFFFAOYSA-N 371.824 3.648 0 40 FHAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OC)c(O)c3)S2)cc1 6394844 QMTZMQFYIZYTMV-DPWKNNTCSA-N 356.447 3.563 0 40 FHAB COCc1c(C(=O)N(C)CC(=O)Nc2ccc(C)cc2)oc2ccccc12 31404592 WXCXKOASMQQJFJ-UHFFFAOYSA-N 366.417 3.598 0 40 FHAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccccc1F 5512613 AINQSMFXVITGMK-UHFFFAOYSA-N 355.196 3.843 0 40 FHAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NC(C)(C)CO)cc12 6606390 MEDVNFZNUVJMQQ-UHFFFAOYSA-N 363.870 3.550 0 40 FHAB Cn1cc(-c2ccc(CCNC(=O)Cc3c(F)cccc3Cl)cc2)cn1 1889264521 UIHGMKULSVPEOX-UHFFFAOYSA-N 371.843 3.781 0 40 FHAB CCCc1cc(=O)[nH]c2nnc(SCc3ccc(C(F)(F)F)cc3)n12 4250348 JOPMCDOWHMLLKL-UHFFFAOYSA-N 368.384 3.681 0 40 FHAB COc1cccc(-c2nnc(NC(=O)CSc3ccc(C)cc3)o2)c1 4496490 FBXMMPFWIWGXIH-UHFFFAOYSA-N 355.419 3.784 0 40 FHAB CC(=O)N(C)Cc1nc2ccccc2n1CCOc1cccc(C)c1C 7425377 XYWBGSPLNYAMLB-UHFFFAOYSA-N 351.450 3.710 0 40 FHAB C[C@H]1CC[C@H](C(=O)N2CCC3(CC2)C[C@H](OCc2ccccn2)CO3)CC1 2055841031 NVUNWUBVVVIDSE-BJLQDIEVSA-N 372.509 3.575 0 40 FHAB O=C(CSC1CCCC1)N1CC(n2c(C3CC3)nc3ccccc32)C1 1775970260 JPPKDIOEGRKBNG-UHFFFAOYSA-N 355.507 3.973 0 40 FHAB Cn1cc(-c2cncc(CNC(=O)c3ccc(Cl)c(Cl)c3)c2)cn1 575414299 CQRHDHKTILEMMP-UHFFFAOYSA-N 361.232 3.719 0 40 FHAB Cc1ccccc1CSc1ncc(CO)n1Cc1ccc2c(c1)OCO2 4157982 CHMQHRSSWNUPME-UHFFFAOYSA-N 368.458 3.753 0 40 FHAB Cc1noc2nc(C3CC3)cc(C(=O)OCc3cn4cccc(C)c4n3)c12 40051862 KMBIQHVTCDTXIN-UHFFFAOYSA-N 362.389 3.722 0 40 FHAB Cc1cc(C(=O)Nc2ccc(N(C)C)cc2C)c2cnn(C(C)C)c2n1 40111585 WNQJNXYYQSGODX-UHFFFAOYSA-N 351.454 3.947 0 40 FHAB O=C(NCCSC1CCCC1)Nc1ccc(C(=O)N2CCCC2)cc1 40104581 RMJJUNBEPNRXBO-UHFFFAOYSA-N 361.511 3.720 0 40 FHAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)CCc2nc3ccccc3s2)C1 40118850 SFRCPUJYFGJSAY-HZPDHXFCSA-N 359.539 3.713 0 40 FHAB O=C(CCNC(=O)c1cccs1)N[C@@H](c1cccs1)C1CCCC1 32396824 YKLTXHHUFNWSAC-QGZVFWFLSA-N 362.520 3.977 0 40 FHAB C[C@@H](NC(=O)CCc1nc(-c2ccccn2)no1)c1cccc(Cl)c1 32687264 GFYYWIKUGMQKHB-GFCCVEGCSA-N 356.813 3.595 0 40 FHAB CN1C(=O)Cc2cc(-c3csc(Cc4cn5ccccc5n4)n3)ccc21 32899508 CPJZWEWBNDLQCW-UHFFFAOYSA-N 360.442 3.568 0 40 FHAB COc1ccccc1NC(=O)C1CCN(CCO[C@@H]2CCCC[C@H]2C)CC1 52641793 ZPSNMRGEGSYDPO-YLJYHZDGSA-N 374.525 3.941 0 40 FHAB CN(C)[C@@H](CNC(=O)CCCc1c[nH]c2ccccc12)c1cccs1 32970910 FPRDXLPDRWOGQM-SFHVURJKSA-N 355.507 3.971 0 40 FHAB O=C(NC1=NCCS1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 32901414 QQIYWELVUVCWDI-UHFFFAOYSA-N 372.837 3.618 0 40 FHAB O=C(NC[C@@H]1CCCO1)c1ccccc1-c1ccc(Cn2cccn2)cc1 32907790 FPQYMGQSTZUOCB-IBGZPJMESA-N 361.445 3.507 0 40 FHAB O=C(COC(=O)/C=C/c1cccc(C(F)(F)F)c1)Nc1ccccc1O 32935081 GBVJLQGNIANFRS-CMDGGOBGSA-N 365.307 3.606 0 40 FHAB O=C(CCc1ccncc1)NCc1cccc(C(=O)Nc2ccccc2)c1 53171363 JIKXZVUZSWYIGV-UHFFFAOYSA-N 359.429 3.583 0 40 FHAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccccc1O 22283603 OUCOAVBFMVUJFT-UHFFFAOYSA-N 365.458 3.659 0 40 FHAB CCn1c2ccccc2c2cc(NC(=O)CN3C[C@H](C)O[C@@H](C)C3)ccc21 22226216 LNDYRHZGYIPTNU-HOTGVXAUSA-N 365.477 3.862 0 40 FHAB CC(=O)N1CCc2cc(C(=O)Nc3ccc(C)cc3Br)ccc21 8938098 YBDLFVUOLPSWLZ-UHFFFAOYSA-N 373.250 3.919 0 40 FHAB Nc1nn(S(=O)(=O)c2cc(Cl)sc2Cl)cc1-c1ccccc1 1050699 RAMDDHQAFPHWAG-UHFFFAOYSA-N 374.274 3.738 0 40 FHAB O=S(=O)(/C=C/c1ccccc1Cl)Oc1ccc(-n2cccn2)cc1 78846941 FJRYZXPFDDJHPV-JLHYYAGUSA-N 360.822 3.905 0 40 FHAB O=C(CCn1ccc2ccccc21)N1CCN(C/C=C/c2ccccc2)CC1 23762987 NUIXVAZUMLRDTI-RMKNXTFCSA-N 373.500 3.889 0 40 FHAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc2c(c1)OCO2 1002624 NKSYDEWHEYNMGJ-AWEZNQCLSA-N 355.434 3.797 0 40 FHAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OS(=O)(=O)O)CC[C@@H]12 6067782 KWYNDVHEQWYGIL-KHOSGYARSA-N 372.527 3.578 0 40 FHAB in-vitro O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1ccccc1F 6257821 JTBRNGLDLHJFDF-UHFFFAOYSA-N 370.405 3.705 0 40 FHAB CN(C)C(=O)c1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 6653963 QLIIADOAWSAUOX-UHFFFAOYSA-N 351.233 3.876 0 40 FHAB Cc1cc(C)cc(N2C[C@@H](C(=O)Oc3cccc4cccnc34)CC2=O)c1 7929144 YSICAMORFYCFGN-KRWDZBQOSA-N 360.413 3.810 0 40 FHAB C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(Cl)c1Cl 72271402 TVGNIJCVQZWVOM-JTNHKYCSSA-N 355.265 3.969 0 40 FHAB C[C@H]1CCCN(c2ncc(-c3ccccc3F)c(-c3nccn3C)n2)C1 57775409 QSFKCSQGTCDWPI-AWEZNQCLSA-N 351.429 3.920 0 40 FHAB O=C(COC(=O)CCCC(=O)Nc1ccccc1Cl)Nc1ccccc1 8433528 AGNSLUKOLONQOQ-UHFFFAOYSA-N 374.824 3.631 0 40 FHAB COc1cccc(NC(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@@H]32)c1 25061236 RVMYKIPAAHCWTF-QUCCMNQESA-N 351.450 3.843 0 40 FHAB COC(=O)c1cccc2c1CCCN2C(=O)c1cccc(OC(F)F)c1 25189878 VXHPYMGAYBTLEM-UHFFFAOYSA-N 361.344 3.668 0 40 FHAB C[C@@H](NCc1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)cc(Cl)c1 3280938 DIFYZYCTJSOFFO-SNVBAGLBSA-N 367.232 3.839 0 40 FHAB c1ccc([C@@]2(N3CCOCC3)C[C@@H]3c4ccccc4[C@@H]2c2cccc[n+]23)cc1 104062974 GACFZQUGMQKXMO-SDHSZQHLSA-N 369.488 3.640 0 40 FHAB Cc1ccccc1NC(=O)CNc1cccc(C)c1C(=O)N1CCCC1 55846588 WJMRLOULUZPKQM-UHFFFAOYSA-N 351.450 3.590 0 40 FHAB O=C(CNc1cc(Cl)ccc1-n1cccn1)N1CCc2ccccc21 55874645 KWPALKJRGWKRLW-UHFFFAOYSA-N 352.825 3.527 0 40 FHAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cc(Cl)ccc1O 35592601 AZNZJTIRAASRLR-UHFFFAOYSA-N 355.843 3.978 0 40 FHAB Cc1cc(F)ccc1NC(=O)C1CCN(C(=O)c2ccccc2C)CC1 12757492 ZQWXQJSRHRGWMB-UHFFFAOYSA-N 354.425 3.933 0 40 FHAB CCc1ccc2c(c1)C(=O)C(=O)N2CN(Cc1ccc(F)cc1)C1CC1 58173562 XLDJXXDBVSCDJQ-UHFFFAOYSA-N 352.409 3.540 0 40 FHAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(NCC3CCCC3)cc2)cc1 58222966 UBXOTQQHZHHACB-UHFFFAOYSA-N 372.490 3.945 0 40 FHAB O=C([C@@H]1C[C@@H]1c1ccncc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 58248389 MPJSGBOEATWGKO-QRVBRYPASA-N 364.445 3.710 0 40 FHAB Cc1ccc(NC(=O)[C@H]2C(=O)C[C@](C)(O)C[C@@H]2c2ccccc2)c(C)c1 101406532 ZZCYFVLFXLNREF-NQSCKRDGSA-N 351.446 3.756 0 40 FHAB CN(C[C@H]1CCCN1C(=O)Cc1cccc2cccnc12)c1ccccc1 58442136 QENRGGUTXCYVSH-OAQYLSRUSA-N 359.473 3.905 0 40 FHAB COCc1ccc(C(=O)N[C@@H](CC(=O)OC)c2ccccc2Cl)cc1 12858122 FEZAGXCTTKVHCD-KRWDZBQOSA-N 361.825 3.521 0 40 FHAB O=C(CCCCCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1 2320366 YUVBHFJHFZEGLM-UHFFFAOYSA-N 350.418 3.872 0 40 FHAB CCOc1cccc(-c2nnc3sc(-c4cccc(OC)c4)nn23)c1 2397549 SXKWEKVJDAAJEI-UHFFFAOYSA-N 352.419 3.927 0 40 FHAB CCOc1cccc(-c2nnc3sc(-c4ccc(N(C)C)cc4)nn23)c1 2433298 IMOVOXCOQFQUSF-UHFFFAOYSA-N 365.462 3.985 0 40 FHAB C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccco1)c1cc2ccccc2o1 45873394 GGXONOCKBPHKFH-UKRRQHHQSA-N 352.390 3.508 0 40 FHAB O=C(N[C@@H](N1CCCC1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 27016347 HJNDBMYXUWNGQD-LBPRGKRZSA-N 356.080 3.862 0 40 FHAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccccc1N1CCOCC1 3560297 QSYJBBIVXVGYMR-HNNXBMFYSA-N 374.868 3.891 0 40 FHAB Cc1nc(-c2cccc(NC(=O)CN3CCn4cccc4[C@@H]3C)c2)cs1 12916874 WHSFDKVELBRJAI-AWEZNQCLSA-N 366.490 3.935 0 40 FHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCc2sccc2[C@H]1C 13008781 LTWUPPOYWDVCFO-UONOGXRCSA-N 358.463 3.509 0 40 FHAB CCN(CC)Cc1ccc(C(=O)Nc2cccc(-c3nncn3CC)c2)o1 48884142 LFXXPRBIGWFEBR-UHFFFAOYSA-N 367.453 3.652 0 40 FHAB COc1ccc(-c2cc(-c3ccco3)c3c(N)c(C(N)=O)sc3n2)cc1 4335390 ZHUAOJKHSGPNQG-UHFFFAOYSA-N 365.414 3.913 0 40 FHAB COc1ccc(CNC(=O)N2CCC(Cc3ccccc3)CC2)cc1OC 14068797 WOFWYSGGAVJROG-UHFFFAOYSA-N 368.477 3.868 0 40 FHAB COc1ccc(C)cc1CN1CCN(C(=O)Nc2cccc(C)c2)CC1 14171302 BLTPWPJPPQBOGW-UHFFFAOYSA-N 353.466 3.662 0 40 FHAB O=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)NCc1ccc(F)cc1 6429656 CMJGGRFQLJGBIZ-UHFFFAOYSA-N 359.441 3.592 0 40 FHAB Cn1cc(C(=O)NCCC23CC4CC(CC(C4)C2)C3)c(-c2cccnc2)n1 65857779 VWIHTMXOEGAVRK-UHFFFAOYSA-N 364.493 3.818 0 40 FHAB COc1cc(C(=O)N2CCCCCC2)ccc1OCc1c(C)noc1C 6543142 NYUQRVITDVIVBA-UHFFFAOYSA-N 358.438 3.895 0 40 FHAB O=C(c1ccccc1)N1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 6509334 ZCQHZQNXYOFRPO-UHFFFAOYSA-N 368.502 3.615 0 40 FHAB COc1ccc(C(=O)CSc2nnc(C)n2Cc2ccccc2)cc1 6531824 RLMRATBOCYOICZ-UHFFFAOYSA-N 353.447 3.618 0 40 FHAB CCn1c(C)cc(C(=O)CSc2nnc(Cc3cccs3)n2C)c1C 5579184 CAAVEEXCNUHJGV-UHFFFAOYSA-N 374.535 3.881 0 40 FHAB Cc1ccc(S(=O)(=O)N2C[C@@H]2c2ccc(Br)cc2)cc1 4792910 OGKVLFFBWMYUDN-LDCVWXEPSA-N 352.253 3.503 0 40 FHAB C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)NCc1ccco1 4890136 URXGAPJENGGCIF-ZDUSSCGKSA-N 368.462 3.535 0 40 FHAB CCN(CCCNC(=O)c1sc(-n2cccc2)nc1C)c1ccccc1 67246193 DMGFOVHHZXRBLS-UHFFFAOYSA-N 368.506 3.889 0 40 FHAB COc1ccc(SCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 7294585 HYMPDPNYIFPZIO-UHFFFAOYSA-N 374.506 3.582 0 40 FHAB COc1ccc2c(CC(=O)N(CC(F)(F)F)c3ccccn3)coc2c1 67655426 ZFDJODIPMBAAHR-UHFFFAOYSA-N 364.323 3.974 0 40 FHAB Cc1ccccc1-c1n[nH]c(SCC(=O)N2CCCc3ccccc32)n1 7342016 BCGFFXIATUTKKJ-UHFFFAOYSA-N 364.474 3.852 0 40 FHAB Cc1cccc(OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1C 7683429 QZZNVLIJNCTJCC-UHFFFAOYSA-N 356.813 3.555 0 40 FHAB CC[C@H](NC(=O)[C@H]1COc2ccc(Cl)cc2C1)c1c(C)nn(C)c1C 81260164 WHJKNVUGUGCTBY-ZBFHGGJFSA-N 361.873 3.509 0 40 FHAB C[C@@H](Sc1nnnn1Cc1ccccc1)c1nnc(-c2cccs2)o1 16448406 VXEUFHHVLKVWRH-LLVKDONJSA-N 370.463 3.686 0 40 FHAB CCOC(=O)[C@@]1(C)C=C(Nc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 16737402 COCCHLQPQAGOBB-HXUWFJFHSA-N 372.371 3.629 0 40 FHAB C[C@@H](NC(=O)CCNC(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2 19164447 VNVXGJQSLYEIIC-XXWNAHEMSA-N 360.523 3.589 0 40 FHAB Cn1c(CN(Cc2ccc(F)cc2F)C2CC2)nnc1-c1ccccc1 84307050 LQEQVTSFMDNVQG-UHFFFAOYSA-N 354.404 3.925 0 40 FHAB C[C@H](Oc1cccc(Br)c1)C(=O)Nc1ccc(Cl)cn1 27974797 OULLQOCYVCNAST-VIFPVBQESA-N 355.619 3.904 0 40 FHAB c1csc(CN2CC[C@]3(C2)Cn2c(-c4cccs4)cnc2CO3)c1 306139704 TXYVAICYHNAMIS-SFHVURJKSA-N 357.504 3.848 0 40 FHAB O=C(O)CCc1ccc(-c2ccc(F)cc2)n1NC(=O)c1ccccc1F 408973038 RNAZTLMCTJDADA-UHFFFAOYSA-N 370.355 3.834 0 40 FHAB C[C@@H]1CCC[C@H]2C1=NN(C(=O)CCCc1ccccc1)[C@]2(O)C(F)(F)F 409177821 HTIHKHXFXMPTAI-QIIPPGSGSA-N 368.399 3.895 0 40 FHAB COc1ccccc1N(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O 408627420 MFYXAAZYCNQQBV-UHFFFAOYSA-N 360.262 3.968 0 40 FHAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3)cc1Cl 78404009 QCNMJVJTDFBOQD-SNVBAGLBSA-N 352.843 3.506 0 40 FHAB COc1cc(NC(=S)Nc2cc(F)ccc2C)cc(OC)c1OC 71761562 CVZBTTUXTIETMP-UHFFFAOYSA-N 350.415 3.969 0 40 FHAB Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccsc3)N(C)C)no2)cc1 71195100 VBTMJTHPXFBQTJ-KRWDZBQOSA-N 355.463 3.744 0 40 FHAB C[C@H]1CN(C(=O)CCc2ccccc2C(F)(F)F)c2cccnc2O1 1583162507 HADAZGCGXWSIQA-LBPRGKRZSA-N 350.340 3.847 0 40 FHAB CN(C)[C@@H](CNC(=O)/C=C/c1ccsc1)c1cn(C)c2ccccc12 75149197 PQYZMRPOMOSJTF-SGQUHAKNSA-N 353.491 3.672 0 40 FHAB COc1cccc(NC(=O)N2CC(c3nc4ccc(C)cc4[nH]3)C2)c1OC 75156465 XYJIQLSGLXBSMK-UHFFFAOYSA-N 366.421 3.520 0 40 FHAB Cc1ccsc1C(=O)NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1 225757773 WOYRDYLQUNNFCR-UHFFFAOYSA-N 372.519 3.907 0 40 FHAB O=C(NCC1=CCCCC1)c1ccccc1NS(=O)(=O)c1ccccc1 223931565 FKWKRFNKGJJUGK-UHFFFAOYSA-N 370.474 3.718 0 40 FHAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCN(CC)CC)cc1 225611843 LSBMFNIZVNXNGC-HXUWFJFHSA-N 350.503 3.941 0 40 FHAB S=C(NCCCc1ccccc1)Nc1ccc(N2CCCCC2)nc1 223963096 BYRVXOMCGHZKPM-UHFFFAOYSA-N 354.523 3.991 0 40 FHAB Cc1cc(CN2CCC(CNC(=O)/C=C/c3cccs3)CC2)c(C)o1 43972456 XZJZVZJJURHCEO-AATRIKPKSA-N 358.507 4.000 0 40 FHAB CCCO[C@@]1(C(=O)Nc2ccc(OCCOC)nc2C)CCC[C@@H](C)C1 225911197 RGYWMTWIWUGGGB-QRWLVFNGSA-N 364.486 3.729 0 40 FHAB CC(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3ccc(C)s3)C[C@@H]12 96100383 ITLKYKOGCOJECH-NHCUHLMSSA-N 354.519 3.821 0 40 FHAB CCSc1ccccc1C(=O)NCc1ccc(CN2CCOCC2)cc1 144352571 KCDKBTKJEUFNAZ-UHFFFAOYSA-N 370.518 3.561 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccccc2C)cc1 26311133 CJQDHMGJIBFLTQ-KRWDZBQOSA-N 360.523 3.876 0 40 FHAB CC(C)[C@@H]1C=CC[C@](C)(O)C[C@@H]2O[C@@]2(C)C[C@H]1OC(=O)c1ccc(O)cc1 254848354 JJEBKVFRHNKOBW-AINOVGTFSA-N 374.477 3.838 0 40 FHAB CCCCNC(=O)/C(=C1/OC(=O)C(c2ccccc2)=C1O)c1ccccc1 255190650 YOHRCOHNVUPMFF-CZIZESTLSA-N 363.413 3.840 0 40 FHAB O=C(c1nccc2ccccc12)N1C[C@H]2CC[C@H](Oc3cccnc3)[C@H]2C1 257220860 DMMDGVNUZXJLLK-UXPWSPDFSA-N 359.429 3.559 0 40 FHAB O=C(CSc1nc2ccccc2n2cncc12)Nc1ccc(F)cc1 1651012512 IWWDFAULBJSLNU-UHFFFAOYSA-N 352.394 3.752 0 40 FHAB Cc1oc(-c2cccs2)nc1CN1CCN(c2ccccc2)C(=O)C1 55108732 RXSQZSNEZPJENM-UHFFFAOYSA-N 353.447 3.560 0 40 FHAB CN(C(=O)C1(N)CC2(CCC2)C1)c1ccc(OCc2ccccc2)cc1 659323908 JADFRNQTLFXPOV-UHFFFAOYSA-N 350.462 3.890 0 40 FHAB O=C(O)c1ccccc1-c1ccccc1C(=O)N1CC2CC1(C(F)F)C2 1616044311 OCJIPUQJSWSFHA-UHFFFAOYSA-N 357.356 3.922 0 40 FHAB C=CC(=O)Nc1cccc(C(=O)N[C@H]2CCSc3c(F)cccc32)c1 1290792294 KAOBFLXNWIJZTA-INIZCTEOSA-N 356.422 3.917 0 40 FHAB CC(=O)N1CCC[C@H](NCc2cccc(F)c2F)[C@@H]1Cc1cccc(C)c1 585287004 ZGWIEWKLCJDSHJ-SFTDATJTSA-N 372.459 3.985 0 40 FHAB C[C@@H]1Oc2ccc(NC(=O)N3CCC[C@@H]3c3ccsc3)cc2NC1=O 45985535 OGIZAEMHRPKLOP-XHDPSFHLSA-N 357.435 3.837 0 40 FHAB CCn1ccnc1SCC(=O)NC[C@@H](C)c1nc2ccccc2s1 58177616 JJVUOTRPQIZALG-GFCCVEGCSA-N 360.508 3.525 0 40 FHAB CO[C@H]1CCC[C@H]1OC(=O)Cc1c[nH]c2cccc(Br)c12 89409569 USAHPMXTHDZXFJ-UONOGXRCSA-N 352.228 3.584 0 40 FHAB Cc1ncoc1C(=O)N1CCC[C@@]12CN(c1ccc(F)cc1)C(C)(C)C2 1615120031 JLLUSVHMTUMIBC-HXUWFJFHSA-N 357.429 3.786 0 40 FHAB Clc1ccc(C2=Nn3c(COc4ccccc4)nnc3SC2)cc1 5144390 OOFGYTZPMHLAMT-UHFFFAOYSA-N 356.838 3.869 0 40 FHAB Cc1ccc(-c2csc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)n2)c(C)c1 5927461 JOTQGCJYZQDHRF-GFOFROLCSA-N 368.458 3.888 0 40 FHAB Nc1ccccc1NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 12524993 MGFGEFFZVMMROT-HMMYKYKNSA-N 357.413 3.678 0 40 FHAB O=C1O[C@H](C(=O)Nc2ccc(N3CCCCCC3)cc2)Cc2ccccc21 12631976 AMGLMFNGIOWLLD-FQEVSTJZSA-N 364.445 3.787 0 40 FHAB COc1ccc2[nH]c(=O)c(CN(C(=O)C(C)C)c3ccccc3)cc2c1 13479899 NCNHLRBZZJGZAX-UHFFFAOYSA-N 350.418 3.726 0 40 FHAB O=C(NC1CCN(C(=S)Nc2ccc(F)cc2)CC1)C1CCCCC1 15935701 CHIKEWJWUJVBFZ-UHFFFAOYSA-N 363.502 3.683 0 40 FHAB CC(C)N(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C1CCCCC1 19144383 GGECTDWKSOGDNH-UHFFFAOYSA-N 361.877 3.563 0 40 FHAB CC(=O)N[C@H](c1ccccn1)C1CCN(C[C@@H](C)c2ccccc2)CC1 19456073 HRMBPBHXLNGPTO-VGSWGCGISA-N 351.494 3.775 0 40 FHAB C/C=C/C=C/C(=O)OCC(=O)Nc1ccc(Br)c(Cl)c1 8433673 LOHCTKFFGKCNPD-MQQKCMAXSA-N 358.619 3.717 0 40 FHAB CCC(=O)NC(=S)Nc1cc(Cl)ccc1-c1ccc(C(=O)O)o1 226350493 BJYBMMDOEUKWLS-UHFFFAOYSA-N 352.799 3.521 0 40 FHAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N1CCc2sccc2C1 12214177 HRTGNXUBYZFXMD-UHFFFAOYSA-N 365.380 3.702 0 40 FHAB Cc1ccc(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1Cl 1961329 FDGKKJUVRGTSLM-UHFFFAOYSA-N 361.854 3.675 0 40 FHAB Cc1ccc(Cl)c(OC[C@@]2(O)CN(C3CCCCCC3)CC[C@@H]2O)c1 2037946968 MISXULNOABQUAC-PMACEKPBSA-N 367.917 3.548 0 40 FHAB COc1cccc(NC(=O)CSC2=NC(C)(C)Nc3ccccc32)c1 4372225 FSABUHPXCGIXPK-UHFFFAOYSA-N 355.463 3.975 0 40 FHAB CCOC(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12 4354063 CUXVKKJFJFEMES-UHFFFAOYSA-N 368.345 3.982 0 40 FHAB Cc1cc(C)c(NC(=O)c2nnn(Cc3ccc(Cl)cc3)c2N)c(C)c1 4852287 HMOPBALYQMBBBE-UHFFFAOYSA-N 369.856 3.740 0 40 FHAB COc1ccc(C(=O)Nc2nnc(-c3ccc(SC)cc3)o2)cc1OC 5240356 JQQYBKOMLXLOJP-UHFFFAOYSA-N 371.418 3.728 0 40 FHAB CC(=O)Nc1ccc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)cc1 8769853 SAJADTBDWJRQFO-UHFFFAOYSA-N 366.446 3.766 0 40 FHAB Cc1cccc([C@H](c2sc3nc(C)nn3c2O)N2CCC(C)CC2)c1 22626156 PDQJCQUZSMXFMU-MRXNPFEDSA-N 356.495 3.935 0 40 FHAB COc1cccc([C@H](c2sc3ncnn3c2O)N2C[C@H](C)C[C@@H](C)C2)c1 22609837 UMFZSOKLQBKPFH-XJKCOSOUSA-N 372.494 3.572 0 40 FHAB NC(=O)c1ccc(NC(=O)c2csc(Nc3cccc(Cl)c3)n2)cc1 36704662 RYBQNOHHOTZUFH-UHFFFAOYSA-N 372.837 3.891 0 40 FHAB Cc1ccc(OCCN(C)C(=O)c2cc(-c3ccccc3F)on2)cc1 30033565 ZOMQZJBFBOJBSO-UHFFFAOYSA-N 354.381 3.940 0 40 FHAB CSc1ccc([C@H](C)NC(=O)NCc2ccnc(-n3cccn3)c2)cc1 31124204 MVQXAOUJAPHFFY-AWEZNQCLSA-N 367.478 3.550 0 40 FHAB CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1sccc1-n1cccc1 31405544 ZWGUYUCHTDJSIH-UHFFFAOYSA-N 373.865 3.903 0 40 FHAB Cc1cccc(C)c1N1C(=O)C[C@H](N(Cc2ccc(F)cc2)C2CC2)C1=O 101127367 ACMBGDHYRMLSLJ-IBGZPJMESA-N 366.436 3.739 0 40 FHAB CSCC[C@H](NC(=O)Cc1ccc(Cl)cc1)c1nnc2ccccn12 20736612 NVAAZHBGCLMHTG-HNNXBMFYSA-N 374.897 3.536 0 40 FHAB Cc1cc(CSc2nnc(COc3ccccc3Cl)n2C)no1 32739526 LFMPKRKEBXUVRW-UHFFFAOYSA-N 350.831 3.636 0 40 FHAB CCc1cccc(C)c1NC(=O)CSc1nc(C)c(C)n1CCOC 32893984 ZIUGWIQMXFHWNF-UHFFFAOYSA-N 361.511 3.748 0 40 FHAB CCNC(=O)c1ccc(C)c(NC(=O)N[C@@H](C)CCc2ccc(O)cc2)c1 61282774 GSFAXBJRWIDHOO-HNNXBMFYSA-N 369.465 3.593 0 40 FHAB CCc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=C1\SC(=O)NC1=O 12338912 CECRRJPNIQVAGG-ZVNCQBAKSA-N 356.447 3.576 0 40 FHAB CCCc1n(C[C@H](O)COc2cc(C)ccc2Cl)c2ccccc2[n+]1C 889953 XEIHWXIUSXNAHC-INIZCTEOSA-N 373.904 3.820 0 40 FHAB Cc1nn(-c2ccccc2F)c(C)c1CC(=O)Nc1ccc2c(c1)OCO2 42181446 DPSFJKOOGCBNEM-UHFFFAOYSA-N 367.380 3.538 0 40 FHAB O=C(CC1CCN(C(=O)[C@H]2CCCC[C@H]2C(F)(F)F)CC1)N1CCCC1 78939257 PSHJNECZDILLFF-JKSUJKDBSA-N 374.447 3.606 0 40 FHAB CCN(C(=O)CSc1nnc(C)n1-c1ccccc1)c1ccccc1 3409992 KEVUDXDZROSWFY-UHFFFAOYSA-N 352.463 3.721 0 40 FHAB CCC(=O)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O 4230967 UKUYTVCFKCKYRQ-UHFFFAOYSA-N 364.445 3.784 0 40 FHAB Cc1ccc(-n2c(C)nnc2SCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 4835984 BGTUDJSROOWSNF-HUUCEWRRSA-N 358.511 3.766 0 40 FHAB CCC(=O)N(Cc1cccs1)Cc1cc2ccc(C)cc2n2nnnc12 4879552 RGXVZFXEKQFUOG-UHFFFAOYSA-N 365.462 3.586 0 40 FHAB O=C(O)CSc1nnc2n(Cc3ccc(Cl)cc3)c3ccccc3n12 4891075 IKYMKCOUVZPYOT-UHFFFAOYSA-N 372.837 3.562 0 40 FHAB CCOC(=O)c1cc2c3ccccc3n(C)c2nc1N1C[C@@H](C)O[C@H](C)C1 23873127 RPBROAHTVQKQMQ-ZIAGYGMSSA-N 367.449 3.517 0 40 FHAB O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2 6226454 KGLRVRPYTWMBSY-UHFFFAOYSA-N 369.229 3.849 0 40 FHAB COc1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1Br 6441618 XZOMNRHFVZCEMG-UHFFFAOYSA-N 374.190 3.816 0 40 FHAB O=C(CCOc1cccc(F)c1)Nc1cccc(NC(=O)NC2CC2)c1 24441155 YMNIRFAESZMZIB-UHFFFAOYSA-N 357.385 3.517 0 40 FHAB O=C(c1cnn(Cc2ccccc2Cl)c1)N1CCOc2ccccc21 24586136 NYIUCZCTWLZKPV-UHFFFAOYSA-N 353.809 3.624 0 40 FHAB COC(=O)c1cccc(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)c1 58564992 PXCPAABLMGQXDR-SFHVURJKSA-N 361.463 3.539 0 40 FHAB O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccncc1 55452910 FJBSYYDHPSCULA-UHFFFAOYSA-N 364.367 3.579 0 40 FHAB Cc1ccc(NC(=O)CSc2nncn2CCc2cccs2)cc1 8944500 OZDIQCHVIDZSEE-UHFFFAOYSA-N 358.492 3.622 0 40 FHAB C[C@H](NC(=O)Nc1ccccc1Cl)c1cccc(NS(C)(=O)=O)c1 48050772 ZCFDPSSAKJBDCU-NSHDSACASA-N 367.858 3.594 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2ncnc3ccccc23)c1 3245619 IXFMQDPWRQQYPL-ZDUSSCGKSA-N 351.431 3.952 0 40 FHAB O=C(NCCC(=O)N1CCC[C@H]1c1cccc2ccccc12)c1ccco1 56362912 AFOOSUSDAJSBDR-IBGZPJMESA-N 362.429 3.916 0 40 FHAB COc1ccccc1[C@@H](CNC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C2)N1CCCCC1 102779640 RMXACZLFLZOSLX-HNBVOPMISA-N 356.510 3.775 0 40 FHAB Cc1ccc(-c2csc(NC(=O)[C@H](C)OC[C@@H]3CCCO3)n2)c(C)c1 58003418 DYEDPXJWRSGUEU-GJZGRUSLSA-N 360.479 3.950 0 40 FHAB O=C1N[C@]23c4ccccc4CC[C@@]2(C1=O)c1ccccc1N3c1ccccc1 2077903 RXHIGRINJNEEOG-ZEQRLZLVSA-N 366.420 3.574 0 40 FHAB COc1ccc(C(=O)NC(=S)Nc2cccc3ccccc23)c(OC)c1 57315593 OVKBMWKJXVRLCS-UHFFFAOYSA-N 366.442 3.984 0 40 FHAB C[C@@H](C(=O)Nc1cccc(Br)c1)n1cc(Br)cn1 28223936 KLRKZKRQGYFFJW-QMMMGPOBSA-N 373.048 3.608 0 40 FHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Oc1ccccc1C 28189555 YTXFQUMCKCJMQY-AWEZNQCLSA-N 371.462 3.923 0 40 FHAB CCn1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)n1 36614268 JXKLXEFIUXVAAK-UHFFFAOYSA-N 374.448 3.565 0 40 FHAB O=C1CS[C@H](c2ccc3c(c2)OCO3)c2cnn(C3CCCCC3)c2N1 2448573 GDBCZAYBLWQGBV-GOSISDBHSA-N 371.462 3.892 0 40 FHAB CC[C@@]1(C)Cc2c(sc3nc(SC(C)C)nc(NCCO)c23)CO1 2441699 WEZLTWVBQWSHJR-KRWDZBQOSA-N 367.540 3.837 0 40 FHAB CCS(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 11381716 BSUDAUHGJDYDOO-LBPRGKRZSA-N 367.854 3.540 0 40 FHAB C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccc2c(c1)OCCO2 12825609 GKTFPXXOCBKNIQ-CYBMUJFWSA-N 373.430 3.586 0 40 FHAB CC(C)n1cnnc1SCC(=O)NCC(C)(C)c1cccc(Cl)c1 60205673 NGMMWVTXLJILIN-UHFFFAOYSA-N 366.918 3.699 0 40 FHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(C)c2)ccc1C 3421148 GNENYDYEPSROGO-UHFFFAOYSA-N 360.479 3.586 0 40 FHAB COC(=O)Cc1ccc(OCc2cc(-c3ccc(OC)cc3)no2)cc1 12995448 ONJDNFFHZCOCMO-UHFFFAOYSA-N 353.374 3.645 0 40 FHAB CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)[C@H](c2ccccc2)C1 38312528 RLLQGIKSKLXKBK-NRFANRHFSA-N 366.486 3.517 0 40 FHAB O=C(O)c1nsc2c1N=C(O)C[C@@H]2c1ccc(Br)cc1F 71285813 UKMMYBRPJCJVLQ-SSDOTTSWSA-N 371.187 3.867 0 40 FHAB CCN(CC)C(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21 9191309 AWAOAMRUSWZJGC-UHFFFAOYSA-N 352.409 3.880 0 40 FHAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 13468160 PIOMBFGYBHQXIW-IRXDYDNUSA-N 361.401 3.631 0 40 FHAB O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@@]12CCN(C[C@@H]1CC=CCC1)C2 306130921 JSRXKNRKPKDAGD-AYBZRNKSSA-N 352.469 3.749 0 40 FHAB COc1cc(OC)cc(-c2nc3c4c(C)c(C)sc4nc(C)n3n2)c1 49544001 MNHOYPFYTZTUME-UHFFFAOYSA-N 354.435 3.948 0 40 FHAB O=C(NCCc1cnc(-c2ccccc2)[nH]1)c1cccc(Br)c1 13607672 YOJKBNUYYNZRIC-UHFFFAOYSA-N 370.250 3.812 0 40 FHAB O=S(=O)(NCc1ccccn1)c1ccc(Cl)c(Cl)c1Cl 6211245 JAZDOUQMZGHDDW-UHFFFAOYSA-N 351.642 3.520 0 40 FHAB Cc1noc(Cl)c1CCC(=O)N[C@@H](c1ccccc1)c1ccccn1 65492886 ROONKDCYYSIVEM-SFHVURJKSA-N 355.825 3.870 0 40 FHAB O=C(CCCOc1cccc2ccccc12)N1CCCN2CCC[C@@H]2C1 65591685 HJGUBHSFDGKZNR-LJQANCHMSA-N 352.478 3.696 0 40 FHAB COc1ccc(-c2cc3ncnc(N4CCCN(C)CC4)c3s2)cc1 14199194 KUVGCOHZJOSYAC-UHFFFAOYSA-N 354.479 3.509 0 40 FHAB CC(C)(C)c1ccc(OCCCC(=O)N(CC(N)=O)c2ccccc2)cc1 9387840 GMDURUCOVUGWKQ-UHFFFAOYSA-N 368.477 3.662 0 40 FHAB COc1ccc(OC)c(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 5598747 QENXJBGJBXOXMP-UHFFFAOYSA-N 361.341 3.523 0 40 FHAB CCc1ccccc1OCC(=O)OCc1cc(=O)oc2cc(C)ccc12 6634047 IPBILDAFAYXGCP-UHFFFAOYSA-N 352.386 3.786 0 40 FHAB Cc1c(C(=O)NC[C@H]2COc3ccccc3O2)oc2c(Cl)cccc12 6602523 YUBGDHLKVZKLBX-LBPRGKRZSA-N 357.793 3.964 0 40 FHAB COc1cc(OC)cc(-c2nnc3sc(-c4cccc(F)c4)nn23)c1 4769856 QXNSWKNNAXUMQM-UHFFFAOYSA-N 356.382 3.676 0 40 FHAB COc1ccc([C@H]2CCCN2CC(=O)Nc2ccc(F)c(F)c2F)cc1 9454291 FDUKKHPMLCGLNO-MRXNPFEDSA-N 364.367 3.888 0 40 FHAB COc1cccc(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c1OC 6839962 VGNVEROGVBQVJF-UHFFFAOYSA-N 358.434 3.646 0 40 FHAB Cn1ncc2c1CCC[C@@H]2NC(=O)NCC(C)(C)c1cccc(Cl)c1 69117439 OBTXETMWIZZRHP-INIZCTEOSA-N 360.889 3.728 0 40 FHAB Cc1ccc(-c2nc(CS(=O)(=O)C[C@@H](O)c3ccccc3)co2)c(C)c1 69348444 ATDNITCTLHQQHT-LJQANCHMSA-N 371.458 3.607 0 40 FHAB O=C(NC1CCCCC1)[C@H]1c2ccccc2C(=O)N1Cc1cccs1 17173002 XZEMYBFLICCTDI-GOSISDBHSA-N 354.475 3.894 0 40 FHAB Cc1sc(-n2cccc2)c(C(=O)OCC(=O)c2ccc(O)cc2O)c1C 18338181 CIBIOISPILBXHH-UHFFFAOYSA-N 371.414 3.607 0 40 FHAB Cc1nc(-c2ccc(OS(=O)(=O)c3ccc4c(c3)CCCC4)cc2)no1 25875208 QCOCCGMKUQLKAU-UHFFFAOYSA-N 370.430 3.692 0 40 FHAB COc1ccc(-c2noc(-c3cnc([C@H]4CCCO4)s3)n2)cc1OC 89643623 PUIQHFOVWDPLJR-GFCCVEGCSA-N 359.407 3.729 0 40 FHAB CC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 408707358 JICGYEVCPJQKTG-QQFBHYJXSA-N 360.473 3.900 0 40 FHAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc2ccccc2n1 21285860 MGYOCZLITRBQBP-UHFFFAOYSA-N 360.461 3.547 0 40 FHAB O=C(N[C@H]1CCc2ccccc21)c1n[nH]nc1Nc1ccc(Cl)cc1 67283698 KLRJYZDNZKTWRY-HNNXBMFYSA-N 353.813 3.619 0 40 FHAB O=C(CC[C@H]1C(=O)Nc2ccccc21)Nc1nc(-c2cccnc2)cs1 1565524296 FLHMVDVBVANYPU-CQSZACIVSA-N 364.430 3.660 0 40 FHAB Cc1noc(-c2ccccc2C(=O)N2CCN(C3CC3)c3c(C)cccc32)n1 187325795 BBGQQUOWTWHUOQ-UHFFFAOYSA-N 374.444 3.983 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2C)c1 31706017 XDQGVFZXAUFTEI-HOTGVXAUSA-N 357.450 3.965 0 40 FHAB O=C(CN1C(=O)S/C(=C/C=C/c2ccco2)C1=O)Nc1cccc(F)c1 409237581 ABICOXMTNDZGSD-JFNDZESESA-N 372.377 3.650 0 40 FHAB O=C(O)[C@@H]1COC2(CCCCC2)N1C(=O)c1cc(Cl)cc(Cl)c1 71979771 JGJRZMHYSMYFQQ-ZDUSSCGKSA-N 358.221 3.579 0 40 FHAB COC(=O)c1occc1/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O 32853588 VDQPJQYCJWNKDY-SDQBBNPISA-N 366.156 3.718 0 40 FHAB CCNc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72213112 BSRGICARPURHMR-SFHVURJKSA-N 359.495 3.738 0 40 FHAB O=C(O)[C@H]1COC2(CCCCC2)N1C(=O)c1cc(Cl)cc(Cl)c1 71979772 JGJRZMHYSMYFQQ-CYBMUJFWSA-N 358.221 3.579 0 40 FHAB Cc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1 39793914 VUBVAAUWBYKOMF-YBEGLDIGSA-N 370.405 3.809 0 40 FHAB O=C(O)c1ccc(/C=C2/CCn3c2nc2ccc(Cl)cc2c3=O)cc1 48341759 LSICDYYCQHVRDU-LCYFTJDESA-N 352.777 3.692 0 40 FHAB COc1cccc(NC(=O)N2CC[C@H](c3nc4cc(OC)ccc4[nH]3)C2)c1 49168756 JHMQERDMXUDMOM-ZDUSSCGKSA-N 366.421 3.602 0 40 FHAB biogenic,in-vitro CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCCC(C)C 223048969 PGKIPYBIFISDBX-JOCHJYFZSA-N 366.505 3.809 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225042810 KIGUKSSQRUFTIV-JTQLQIEISA-N 362.838 3.659 0 40 FHAB CCO[C@@](C)(CC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 225816493 DHQCOLNKTAFLEG-IBGZPJMESA-N 351.443 3.652 0 40 FHAB Cc1nc(-c2cccs2)sc1C(=O)Nc1cc(N2CCCC2)ncn1 77200525 PZSJVABEXGBEFN-UHFFFAOYSA-N 371.491 3.823 0 40 FHAB CCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCCCC2)n1 225883283 ZQGAFVWLWIRQNZ-UHFFFAOYSA-N 371.510 3.956 0 40 FHAB COCCCNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CCCC2 225630951 WPIWOZAHEZHDOZ-UHFFFAOYSA-N 366.461 3.584 0 40 FHAB CC(C)NC(=O)c1ccccc1NC(=O)COc1cccc2c1CCCC2 224910594 DTIVFRIETTYVNQ-UHFFFAOYSA-N 366.461 3.721 0 40 FHAB CC1(C)CN(Cc2cc(=O)n3cc(Cl)ccc3n2)Cc2ccccc2O1 585083905 YLMWDYCSUIWOQM-UHFFFAOYSA-N 369.852 3.521 0 40 FHAB Cc1cc(C(=O)O)ccc1NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1 1600118653 JWXIGTYJAPWKPS-CQSZACIVSA-N 358.825 3.812 0 40 FHAB Fc1ccc(OCc2cc([C@@H]3CCN(Cc4ccccn4)C3)n[nH]2)cc1 257228303 FTIJUPAGJYQFJM-OAHLLOKOSA-N 352.413 3.512 0 40 FHAB Cc1nc(Nc2nccs2)cc([C@@H]2CCCCN2CC2CCOCC2)n1 257334931 YHXKEEYKPIULHQ-KRWDZBQOSA-N 373.526 3.939 0 40 FHAB Cc1ccc(Nc2cc(C)nc([C@H]3CCN(C(=O)c4cnccn4)C3)c2)cc1 257223075 DVUKGLIOMIYVMJ-KRWDZBQOSA-N 373.460 3.862 0 40 FHAB CC[C@@H](C)[C@H](C(=O)O)N1C(=O)/C(=C\C=C\c2ccco2)SC1=S 256055736 RFVRNYGFTJZRAU-AMPZZDQISA-N 351.449 3.536 0 40 FHAB Cc1ccc(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)cc1N 9515858 GTBKDSMCNCTNMM-UHFFFAOYSA-N 353.205 3.680 0 40 FHAB Cc1noc(CCCNC(=O)N2CCCC[C@@H]2c2cccc(C)c2C)n1 608666902 OKKFGAVCOVIJNU-GOSISDBHSA-N 356.470 3.864 0 40 FHAB CC(=O)N[C@@]1(c2nc(-c3cc4cc(Cl)ccc4o3)cs2)CCNC1 647609693 ZEXHPFBOCCSBHV-KRWDZBQOSA-N 361.854 3.534 0 40 FHAB O=C(N[C@@H]1CCCOc2c(Cl)cccc21)c1cc2c(s1)CCNC2 662513307 YWWLTFAJJUNXGZ-CQSZACIVSA-N 362.882 3.691 0 40 FHAB CO[C@H](COc1ccc2c(c1)OC1(CCCCC1)CC2=O)[C@H]1CCOC1 663962122 KVNPYNFMWHLFTO-MGPUTAFESA-N 360.450 3.785 0 40 FHAB Oc1nc(CCc2nc(-c3nccc4ccccc34)no2)nc2ccccc12 603780678 POZMEVGECUWGNZ-UHFFFAOYSA-N 369.384 3.719 0 40 FHAB COc1ccccc1[C@H](NC(=O)c1cc(C)c(C)s1)c1nccn1C 53342276 WGWATXCFVKNUOM-KRWDZBQOSA-N 355.463 3.626 0 40 FHAB O=C(CCCOc1ccccc1)N1C[C@@H](n2cccn2)Cc2ccccc21 76067006 RTARMVPPWLJAPG-IBGZPJMESA-N 361.445 3.873 0 40 FHAB Cc1cc(C)n(-c2ncnc3c2cnn3Cc2ccc(Cl)cc2Cl)n1 5541343 HUQLWMJOBCBQOF-UHFFFAOYSA-N 373.247 3.984 0 40 FHAB CN(C)C(=O)c1ccc(NC(=O)CSc2ccc3ccccc3n2)cc1 5627520 WABUMRDPVBOXCV-UHFFFAOYSA-N 365.458 3.667 0 40 FHAB CCOc1ccccc1-c1cc(C(=O)N(C)[C@H](C)Cc2ccccn2)[nH]n1 12143817 HCXLRDRFWHZOIY-OAHLLOKOSA-N 364.449 3.574 0 40 FHAB CC(=O)c1cc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cs1 12197197 RKCZSEJBHZRZJG-UHFFFAOYSA-N 356.447 3.829 0 40 FHAB NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)C2CCCCC2)CC1 12254367 RKKDAJCYFRBFRC-UHFFFAOYSA-N 365.477 3.620 0 40 FHAB COc1ccc(S(=O)(=O)NCCCc2ccccc2Cl)cc1C 13676349 IRWFXGDUOOURNS-UHFFFAOYSA-N 353.871 3.568 0 40 FHAB Cc1ccc(SCCNC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 14803560 NLLFYYKQRVXZCI-ZDUSSCGKSA-N 372.515 3.950 0 40 FHAB CC(=O)N1Cc2ccccc2O[C@H]([C@H]2CCCN(C[C@H]3CC=CCC3)C2)C1 19019658 QMGLMUCBHRPOGI-JTAQYXEDSA-N 368.521 3.864 0 40 FHAB C[C@H]1Cc2cc(-c3csc(NC(=O)[C@H](C)n4ccnc4)n3)ccc2O1 19498228 FDKCUVZOXFDLCT-RYUDHWBXSA-N 354.435 3.530 0 40 FHAB Cc1cc(NC(=O)CN(C)Cc2ccc(Cl)cc2)n(-c2ccccc2)n1 19534606 QNFJVTIYWDJGIF-UHFFFAOYSA-N 368.868 3.905 0 40 FHAB c1cc(CN2CCO[C@@H](c3ccc(-c4cc[nH]n4)cn3)C2)c2cccnc2c1 19693653 MWYMLEDDKNLBPY-JOCHJYFZSA-N 371.444 3.593 0 40 FHAB CCC(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)C1 19694569 VNSCBXIMHMCOIH-OAHLLOKOSA-N 372.900 3.979 0 40 FHAB CCc1c(C)nc2cc(-c3ccoc3C)nn2c1NCCCn1ccnc1 105714645 ORYLQBYSHRXBAE-UHFFFAOYSA-N 364.453 3.867 0 40 FHAB CCOC(=O)c1ccccc1OC(=O)Oc1ccccc1C(=O)OCC 1641168 QWWLHNFYJSCNGD-UHFFFAOYSA-N 358.346 3.618 0 40 FHAB CN(C)[C@@H](CNC(=O)CCC(=O)c1ccc(Cl)s1)c1ccccc1 3331607 OADABBGGGKUEFF-AWEZNQCLSA-N 364.898 3.784 0 40 FHAB Cc1c(C(=O)OCc2ccccc2Cl)sc2nc3n(c(=O)c12)CCC3 5246897 FAWSCHOPBYJNHE-UHFFFAOYSA-N 374.849 3.723 0 40 FHAB COc1cccc(-c2nnn(Cc3csc(-c4ccc(C)cc4)n3)n2)c1 7022159 SRFMTVFMOZXXQG-UHFFFAOYSA-N 363.446 3.829 0 40 FHAB CCN(CCNC(=O)c1cccnc1SC(F)F)c1cccc(C)c1 17841302 MIIORDFKQOQFAY-UHFFFAOYSA-N 365.449 3.961 0 40 FHAB CC(C)NC(=O)Nc1cccc(NC(=O)COc2ccc(Cl)cc2)c1 24510011 SLCZHLCOAAXLGU-UHFFFAOYSA-N 361.829 3.887 0 40 FHAB CSc1nnc(CSc2nc(C)cc(C)n2)n1CCc1ccccc1 2706253 WHNREZCCWYHSRK-UHFFFAOYSA-N 371.535 3.942 0 40 FHAB CCOc1ccc(C(=O)NCCc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 3911663 FEJDHFXIWZQLRQ-UHFFFAOYSA-N 364.445 3.516 0 40 FHAB CC1=C(C(=O)Nc2cc(C)ccc2C)[C@@H](c2ccccc2F)NC(=S)N1 8369908 VAJLJWYDFIYDCL-GOSISDBHSA-N 369.465 3.874 0 40 FHAB Cc1ccsc1CN1CCC(Nc2ccccc2)(C(=O)N(C)C)CC1 2055754788 UAJGPOODLPHEGW-UHFFFAOYSA-N 357.523 3.591 0 40 FHAB Cn1nc(-c2cccs2)cc1CNC(=O)CCSc1ccccc1 1775966603 ONYCHKRXLXRUSN-UHFFFAOYSA-N 357.504 3.947 0 40 FHAB COc1cc2nc(SCc3nc4ccccc4n3C)[nH]c2cc1OC 12428122 SOEPPKZDQGYYNQ-UHFFFAOYSA-N 354.435 3.759 0 40 FHAB O=C(Nc1ccc(F)cc1)c1nn(-c2ccccc2)c(=O)c2ccccc12 7638982 OUIOIHFBNLVWAY-UHFFFAOYSA-N 359.360 3.777 0 40 FHAB C[C@@H](Nc1ncnc2nc(N)ccc12)c1ccc(OCC(F)(F)F)cc1 90073690 WZGNJIUMXPLUIJ-SNVBAGLBSA-N 363.343 3.721 0 40 FHAB COC(=O)c1cnc(NC(=O)[C@@H](C)Oc2cccc(C(C)(C)C)c2)s1 40141634 SDPDUVOKGATYDS-LLVKDONJSA-N 362.451 3.633 0 40 FHAB C[C@@H](OCc1ccccc1)C(=O)NCCNc1ncc(Cl)cc1Cl 40110394 UZLGCJCPGONSEF-GFCCVEGCSA-N 368.264 3.522 0 40 FHAB O=C(NC[C@H](O)c1ccc(F)c(F)c1)c1cc(Cl)sc1Cl 31298794 VZRBHIHDRVLDRW-JTQLQIEISA-N 352.189 3.797 0 40 FHAB O=C(Nc1ccc2[nH]cc([C@@H](C(=O)O)N3CCCC3)c2c1)c1ccccc1 32106706 GAXKJNWUHJRPRD-IBGZPJMESA-N 363.417 3.642 0 40 FHAB C[C@H](NC(=O)NCc1nc2ccccc2s1)c1ccc2c(c1)OCCO2 32863105 MYGJWTOQJGYPBL-LBPRGKRZSA-N 369.446 3.628 0 40 FHAB Cc1noc(CSc2ccc(C(=O)NCc3ccc(F)cc3)cc2)n1 32902023 JNVGRNWFIUEQHN-UHFFFAOYSA-N 357.410 3.739 0 40 FHAB O=C(COc1cc(Cl)c(Cl)cc1Cl)O[C@H]1CCCC[C@H]1O 682519 MVSZPMNILBYIPQ-NEPJUHHUSA-N 353.629 3.872 0 40 FHAB COc1cccc(C(=O)N[C@@H](C)c2ccc(Br)cc2)c1OC 668091 GMSMXXHSSGGQRT-NSHDSACASA-N 364.239 3.957 0 40 FHAB CC(C)(C)NC(=O)CSc1nnc(-c2ccncc2)n1C1CCCCC1 905128 HXVHIEKSUBLOOD-UHFFFAOYSA-N 373.526 3.852 0 40 FHAB Cc1ccccc1OCc1nnc(SCCC(=O)O)n1-c1ccccc1 916867 HZRGBBWHBJKWOK-UHFFFAOYSA-N 369.446 3.722 0 40 FHAB COc1ccccc1C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C 2361580 UBQGLZATUGBCOI-UHFFFAOYSA-N 374.487 3.595 0 40 FHAB O=C(CSc1nnc(-c2cccc(Cl)c2)o1)NCc1ccccc1 882309 DCXDJGIPVCEZEM-UHFFFAOYSA-N 359.838 3.799 0 40 FHAB Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)NC1CCCC1 2497579 MHIVEVWBTIZMME-UHFFFAOYSA-N 352.356 3.754 0 40 FHAB O=C(CSC(=O)c1ccccc1)Nc1cccc(Br)c1 3265334 LOTGORRUQZLWAF-UHFFFAOYSA-N 350.237 3.961 0 40 FHAB CC(=O)CSc1nc(SCC(C)=O)c2c3c(sc2n1)CCC3 1036543 MLUGBEQLXHAWMF-UHFFFAOYSA-N 352.506 3.542 0 40 FHAB COc1ccc(CCC(=O)Nc2ccc(N3CCCC3)cc2)cc1OC 10428976 OSPPGIBXTVXVGW-UHFFFAOYSA-N 354.450 3.875 0 40 FHAB CCn1c(S[C@H](C)C(=O)c2ccc(OC)c(OC)c2)nnc1C1CC1 58217048 MDNPCPSRAICCNU-LLVKDONJSA-N 361.467 3.556 0 40 FHAB Cc1sc(NC(=O)c2cnn(C)c2)nc1-c1ccc(OC(F)F)cc1 10956442 BQDXTZLCZZAUOX-UHFFFAOYSA-N 364.377 3.706 0 40 FHAB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)cc1 1293482 BCUBXOZIRJFLPJ-LJQANCHMSA-N 365.433 3.579 0 40 FHAB O=C(Nc1ccccc1)c1cccn(Cc2c(F)cccc2Cl)c1=O 1396454 JDWWJCVPCVYPNC-UHFFFAOYSA-N 356.784 3.941 0 40 FHAB O=C(CCN1c2cccc3cccc(c23)S1(=O)=O)Nc1cccc(F)c1 25052523 WPGGXBDDTWEWAQ-UHFFFAOYSA-N 370.405 3.516 0 40 FHAB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccccc1F 1467234 QYMHBKWLFBQTQT-GOSISDBHSA-N 354.381 3.539 0 40 FHAB Cc1noc([C@H](C)Sc2nc(N)c3c4c(sc3n2)C[C@@H](C)CC4)n1 12539441 VQMHXXYGCVXUOI-YUMQZZPRSA-N 361.496 3.943 0 40 FHAB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCc1ccccc1F 25981066 FHQHJKUAMNWFBE-LJQANCHMSA-N 356.441 3.595 0 40 FHAB O=C(NCc1ccc(Cl)cc1)c1n[nH]nc1Nc1ccc(Cl)cc1 44165938 JIBNJANUSKEACC-UHFFFAOYSA-N 362.220 3.785 0 40 FHAB O=C(NC1CC1)[C@H](NCc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 57593674 SAFQDPGNDQAOOV-QGZVFWFLSA-N 366.358 3.954 0 40 FHAB O=c1c(-c2ccccc2)coc2c3c(ccc12)OCN(C[C@@H]1CCCO1)C3 54313255 ULZDNCGTQCNNPW-INIZCTEOSA-N 363.413 3.791 0 40 FHAB biogenic COCCn1c(S[C@H](C)c2ccc(F)cc2)nnc1-c1ccncc1 58014335 KJSFFCIYOAZQSL-CYBMUJFWSA-N 358.442 3.979 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cnn(Cc2ccccc2)c1 58174039 IXQMEPDGSXXFJL-UHFFFAOYSA-N 371.444 3.986 0 40 FHAB CC(=O)Oc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1C 2112142 ISHZXKLGNJCWHX-UHFFFAOYSA-N 362.337 3.800 0 40 FHAB biogenic O=C(NCc1ccccc1)c1nnc(CSc2ccc(F)cc2)s1 28071176 SKXSQJJAJZCIGT-UHFFFAOYSA-N 359.451 3.900 0 40 FHAB CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1F 2397105 CLJIJIFISDTYTN-KOSHJBKYSA-N 351.358 3.911 0 40 FHAB CC1CCN(C(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)CC1 2406031 FXYQCMUCTOIMBU-UHFFFAOYSA-N 364.515 3.563 0 40 FHAB O=C(CSc1nncc2ccccc12)Nc1ccc(N2CCCC2)cc1 12753996 LGBBFLWTNCIOKG-UHFFFAOYSA-N 364.474 3.961 0 40 FHAB COc1cccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)c1 12752147 QGUBBEKYPGWJLF-UHFFFAOYSA-N 370.493 3.747 0 40 FHAB COc1cccc(-c2noc(COC(=O)c3ccc4ncsc4c3)n2)c1 11421605 UJKUNEHXIRQOSF-UHFFFAOYSA-N 367.386 3.712 0 40 FHAB CSc1ncccc1C(=O)OCC(=O)c1cccc(Br)c1 3339997 FWCASKHTOIJCIL-UHFFFAOYSA-N 366.236 3.606 0 40 FHAB COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CCOC1 60351125 PBUJJHXYOQDKPP-YLJYHZDGSA-N 353.462 3.692 0 40 FHAB COc1cc(CC(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC 3328069 VEVLWBWNNDAKAV-UHFFFAOYSA-N 369.339 3.912 0 40 FHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NCC1(N(C)C)CCCCCC1 12807481 PZVFFGSRPDQESO-UHFFFAOYSA-N 371.529 3.705 0 40 FHAB O=C(COC(=O)Cc1ccccc1Cl)Nc1cc(F)ccc1Cl 72331054 WKRJJKWMOYXVGI-UHFFFAOYSA-N 356.180 3.857 0 40 FHAB Cc1ccc(Nc2nnc(SCC(=O)c3ccc(O)cc3O)s2)cc1 3533146 AESHAVKBKHKYMS-UHFFFAOYSA-N 373.459 3.976 0 40 FHAB CCN(C(=O)[C@@H](C)OC(=O)c1ccc2ncsc2c1)c1ccccc1 3556886 WWISIULBMRMJAC-CYBMUJFWSA-N 354.431 3.895 0 40 FHAB O=C(Nc1cc(F)cc(F)c1)[C@@H]1CCCCN1C(=O)c1cccs1 13001106 BKKSEQDDEYWPNL-AWEZNQCLSA-N 350.390 3.660 0 40 FHAB CC(=O)N1N=C(C2CC2)C[C@@H]1c1cc2cc3c(cc2nc1Cl)OCO3 13013645 MUGRUFMUBASYED-OAHLLOKOSA-N 357.797 3.676 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 13012073 ZWOWCGKXFBOVBK-DLBZAZTESA-N 364.449 3.563 0 40 FHAB COc1cccc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3cccs3)C2)c1 5069617 MXVLEXQTLBBJGN-INIZCTEOSA-N 372.446 3.689 0 40 FHAB Cc1ccc(N2CCN(CC(=O)Nc3ccccc3Cl)C[C@H]2C)cc1 13737028 OBVDCMRGIAJTLF-MRXNPFEDSA-N 357.885 3.798 0 40 FHAB CCCn1c(C)cc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)c1C 5253702 XVKUZZHKYSNXSO-UHFFFAOYSA-N 357.841 3.761 0 40 FHAB CC(=O)Nc1ccc(C(=O)[C@@H](C)N(C)CCOc2cccc(Cl)c2)cc1 14078841 FGKHJVCLVYLLLE-CQSZACIVSA-N 374.868 3.880 0 40 FHAB COc1cc(/C=C/C(=O)Nc2nncs2)cc(Cl)c1OCC(C)C 14240350 RZPSVZXZXRDHNR-SNAWJCMRSA-N 367.858 3.887 0 40 FHAB CN(C)C(=O)[C@H](Sc1nnc(Cc2ccccc2)o1)c1ccccc1 14254217 OEUARHKIWLGDJJ-QGZVFWFLSA-N 353.447 3.582 0 40 FHAB Cn1c(-n2ncc(Nc3cccc(F)c3)c(Cl)c2=O)nc2ccccc21 5452390 OTOLIQNWYCXPGX-UHFFFAOYSA-N 369.787 3.655 0 40 FHAB O=C(Nc1nc2ccccc2nc1N1CCCC1)c1ccc(Cl)nc1 14728758 FDBYJXGTDVRNLQ-UHFFFAOYSA-N 353.813 3.531 0 40 FHAB Cn1ccc2c1CN(Cc1ccncc1)Cc1cn(-c3ccccc3)nc1-2 306129624 IIMWJFPDDYVDSX-UHFFFAOYSA-N 355.445 3.789 0 40 FHAB CCn1nnc(NCc2ccc(OCc3cccc(Cl)c3)c(OC)c2)n1 15356933 GQICHBWQNCLQFY-UHFFFAOYSA-N 373.844 3.546 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccccc2SC(F)F)cc1C(=O)O 15347991 VGSAZMQBYVEGFS-UHFFFAOYSA-N 373.402 3.809 0 40 FHAB C[C@H](Sc1nnc(C(F)(F)F)n1C)C(=O)c1c[nH]c2ccccc12 7197868 OHDQRMYYSZEFBM-QMMMGPOBSA-N 354.357 3.679 0 40 FHAB CC(C)[C@H](OC[C@H]1CCCO1)C(=O)NCc1ccc(C(F)(F)F)cc1 67824953 SYDVHNXKQMGHNL-CVEARBPZSA-N 359.388 3.542 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)Sc2nc(C3CC3)nc3ccccc23)no1 9513985 MWGNHDDSTQMRSQ-LLVKDONJSA-N 354.435 3.923 0 40 FHAB O=C(COc1ccc2oc3c(c2c1)CCCC3)Nn1cnc2ccccc21 8157227 MLNHLYFTEYBCMT-UHFFFAOYSA-N 361.401 3.810 0 40 FHAB COc1nc(C(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)cc2ccccc12 95448286 GKYSZIRLMPGWPI-KRWDZBQOSA-N 350.422 3.561 0 40 FHAB COc1ccccc1-n1c(-c2ccccc2)cnc1S[C@H](C)C(N)=O 8719930 KVGXQYOVGUWJFM-CYBMUJFWSA-N 353.447 3.514 0 40 FHAB CC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 9897153 ZVQAEMLHNBLJDV-CQSZACIVSA-N 366.417 3.644 0 40 FHAB C[C@@H]1CCCC[C@]12NC(=O)N(Cc1csc(-c3ccsc3)n1)C2=O 9951658 MHQRVSRWPZKKKX-DIFFPNOSSA-N 361.492 3.872 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1cc(Cl)c[nH]1 9951380 AMORHUOJFPNNNK-MRVPVSSYSA-N 357.193 3.514 0 40 FHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 20107266 UGXYXPMCUICKPT-UHFFFAOYSA-N 374.245 3.971 0 40 FHAB CCOc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1OCC 409206443 JOYIMEIGCOHVCK-SFQUDFHCSA-N 366.417 3.577 0 40 FHAB O=C(c1ccco1)N1CCC[C@H]1c1ncn2cc(-c3cccnc3)ccc12 306123015 ACGINQCCXWDNJL-SFHVURJKSA-N 358.401 3.967 0 40 FHAB COc1ccc(CNCC(O)(c2ccccc2)c2ccccc2)cc1OC 20365323 ZMBWAOYIUDTICH-UHFFFAOYSA-N 363.457 3.730 0 40 FHAB COc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2C)cc1NC(C)=O 24795821 FDZPCSPTXYJMPU-UHFFFAOYSA-N 367.327 3.628 0 40 FHAB CCOc1ccc(Cl)cc1/C=C1\NC(=O)N(Cc2ccccc2)C1=O 409109136 YHKMAEHXZGJCBZ-WJDWOHSUSA-N 356.809 3.832 0 40 FHAB O=C(Nc1ccc(-n2cccn2)nc1)c1ccccc1C(=O)c1cccs1 32965959 ICPKSWXNQHWCTD-UHFFFAOYSA-N 374.425 3.812 0 40 FHAB O=C(NCc1ccccc1)N1CCS[C@H](c2ccc3c(c2)OCO3)CC1 219243069 GZZZKXUWTUHQFJ-IBGZPJMESA-N 370.474 3.805 0 40 FHAB O=C(Cc1ccccc1Cl)NCC1CCN(Cc2ccccc2)CC1 38583323 VFMZNDODBMJOCD-UHFFFAOYSA-N 356.897 3.911 0 40 FHAB CCN1CCN(c2cc(NC(=O)c3cccc(C)c3)c(Cl)cc2N)CC1 72229077 LPNSYZXGEXTTDJ-UHFFFAOYSA-N 372.900 3.625 0 40 FHAB Cn1cc(CN2CCC[C@H](c3cccc(Cc4cccc(F)c4)n3)C2)cn1 72349980 XZAXKNKJOKNFJD-IBGZPJMESA-N 364.468 3.925 0 40 FHAB Cc1cc(Oc2ccccc2)nc(C2CCN(C(=O)c3cccnc3)CC2)n1 72362100 VVRFNBFNJKQIML-UHFFFAOYSA-N 374.444 3.992 0 40 FHAB O=C(NCc1ccnc(-c2cccs2)c1)c1ccc2nsnc2c1 225650517 OPJJVTSJMSORMY-UHFFFAOYSA-N 352.444 3.745 0 40 FHAB CC(C)(C)C[C@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1ccc(F)cc1 49387754 LRXGAOVDCBFYDI-SFHVURJKSA-N 371.456 3.901 0 40 FHAB O=C(CCCNC(=O)NC1CCCCC1)Nc1cccc2ncccc12 40049351 CDDVZBLHZZQUEQ-UHFFFAOYSA-N 354.454 3.585 0 40 FHAB CC[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc(S(C)(=O)=O)cc1 225633804 VMHMYVPPFRRJAL-HXUWFJFHSA-N 371.502 3.850 0 40 FHAB CCCCOc1ccc(NC(=O)[C@@](C)(OC)C2CC2)cc1C(=O)OCC 225812230 MQHNNTMBFPQFOW-FQEVSTJZSA-N 363.454 3.796 0 40 FHAB O=C(NCCSC1CCCC1)C1CCN(Cc2ccccc2F)CC1 223685523 IOEUYYKIXAJZKC-UHFFFAOYSA-N 364.530 3.830 0 40 FHAB COc1ccc(S[C@@H](C)C(=O)NCCOc2ccc(C)cc2C)cc1 224340099 PAOGPXNZUUBZOT-INIZCTEOSA-N 359.491 3.988 0 40 FHAB COc1ccc2c(c1)[C@@H](NC(=O)COc1ccc(F)cc1)CC(C)(C)O2 222784680 CMGVHNXQYMUKOY-KRWDZBQOSA-N 359.397 3.632 0 40 FHAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 69619791 IDLFVOWECITYNA-QFBILLFUSA-N 355.457 3.652 0 40 FHAB CC(C)Oc1ccccc1CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 42645845 LCMJJXVRZCOWPM-UHFFFAOYSA-N 364.804 3.521 0 40 FHAB COc1cccc(OCCNC(=O)[C@H](C)Oc2cccc3ccccc23)c1 224288659 NULYHTBBYXWCQL-INIZCTEOSA-N 365.429 3.811 0 40 FHAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 225144515 AGAHZNBARQTBKG-UHFFFAOYSA-N 360.218 3.581 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CSc1ccccc1 222967133 VEHBJIQLUVJKCV-IBGZPJMESA-N 370.518 3.641 0 40 FHAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)/C(=C/c1cccs1)NC(=O)c1ccccc1 224471168 KPNDTHLCHDTJHF-AONJTEBSSA-N 366.486 3.824 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2sncc2c1 223006428 AWQXDSJPPCJCOV-UHFFFAOYSA-N 354.840 3.759 0 40 FHAB CC1(C)CCc2nc(NC(=O)N3C[C@@H](O)C[C@H]3c3ccccc3)sc2C1 333661343 XBHFFIYVBIDYRM-HOCLYGCPSA-N 371.506 3.998 0 40 FHAB O=C(C[C@@H]1CC2(CCN(CC3CC3)CC2)c2ccccc21)NCC1CC1 96052695 VYPIVXFRGXVZEI-LJQANCHMSA-N 352.522 3.834 0 40 FHAB CCCOc1ccc(S(=O)(=O)/N=c2/cc(C)cc[nH]2)c2ccccc12 96305738 PTVOJSHFENSAEZ-UHFFFAOYSA-N 356.447 3.555 0 40 FHAB COc1ccc(-c2noc(C(=O)O)c2[C@@H](C)NC(=O)C2CCCCC2)cc1 96296819 SGTINWFAFFGRHT-GFCCVEGCSA-N 372.421 3.806 0 40 FHAB biogenic,in-vitro O=C(c1ccncc1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257254840 KEXBDXJRGYDVOR-QGZVFWFLSA-N 365.408 3.819 0 40 FHAB Cc1onc(C(C)C)c1C(=O)N1Cc2nccn2C[C@@H]1c1ccccc1 257316604 VGGOLIKJMCHJPN-MRXNPFEDSA-N 350.422 3.700 0 40 FHAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccnc1O[C@H]1CCOC1 253400507 LHTHNIQSWLATMF-NSHDSACASA-N 370.302 3.660 0 40 FHAB Cc1cccc(-n2nc(C(=O)O)c(N3CC[C@@H](c4ccccc4)C3)n2)c1C 256048982 XLUWDMGEBOOCEZ-QGZVFWFLSA-N 362.433 3.576 0 40 FHAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)[C@@H]2C[C@H]3C=C[C@H]2O3)sc1C 251981875 GBYWVDVCHUMISO-KLHDSHLOSA-N 360.504 3.565 0 40 FHAB Cn1cc(-c2cccs2)nc1CCNC(=O)c1nc2ccccc2s1 90606948 DPDBWRGFGJBKNO-UHFFFAOYSA-N 368.487 3.731 0 40 FHAB CC(C)c1ccc(-c2nc(C(=O)N[C@@H]3C[C@H](C)n4ncnc43)cs2)cc1 617429940 JHMXVEDEARCBRM-SWLSCSKDSA-N 367.478 3.961 0 40 FHAB Fc1ccc(CNC[C@@H]2CCCO[C@H]2c2cn[nH]c2)c(C(F)(F)F)c1 623769258 RFBVIHZIPUVTMY-BLLLJJGKSA-N 357.351 3.825 0 40 FHAB CCOC1CC(Cn2cnc3c(c(C)c(C)n3Cc3ccccc3)c2=O)C1 657265203 NDZYAHQMUPVAEU-UHFFFAOYSA-N 365.477 3.678 0 40 FHAB O=C(O)[C@@H]1CN(C(=O)C2(C(F)(F)F)CCCCC2)C[C@H]1c1ccccc1 659149817 JNMHBQKAADDXKN-LSDHHAIUSA-N 369.383 3.826 0 40 FHAB COc1ccc(F)c2[nH]c(C(=O)Nc3c(O)n[nH]c3-c3ccccc3)cc12 1159366200 KAOHPZPFBVOBNL-UHFFFAOYSA-N 366.352 3.664 0 40 FHAB Cn1ncc2c1C[C@H](C(=O)Nc1ncccc1OCC1CCCCC1)CC2 684901805 GLXWUBFMMJDPIL-MRXNPFEDSA-N 368.481 3.518 0 40 FHAB Cc1ncn([C@H](C)C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)c1C 92856861 UHMAKAPDSVUNAF-CYBMUJFWSA-N 368.462 3.527 0 40 FHAB CC(C)(C)NC(=O)[C]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 1560406136 ZWSHXCDTRQEJBE-FOEKUPNGSA-N 373.561 3.997 0 40 FHAB CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3ccccc3OC)oc2c1 5127519 DYPAQZVXBWUQGG-LNVKXUELSA-N 365.433 3.619 0 40 FHAB CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccccc2C(F)(F)F)NC(=S)N1 5787935 YEGLOVHNCRMOMJ-CYBMUJFWSA-N 372.412 3.840 0 40 FHAB Cc1cc2c(cc1Cl)C=CC1(CCN(CC(=O)NC3CCCC3)CC1)O2 12187978 KTDBASLHXNPAQR-UHFFFAOYSA-N 374.912 3.947 0 40 FHAB CC(NC(=O)/N=c1\[nH]c2ccccc2s1)(C(F)(F)F)C(F)(F)F 13570279 TVENZDWKLWERMA-UHFFFAOYSA-N 357.279 3.723 0 40 FHAB biogenic COc1ccc(S(=O)(=O)NCc2cccc(C)c2)c(Cl)c1Cl 13671296 BYKZYPHBQWIUPT-UHFFFAOYSA-N 360.262 3.789 0 40 FHAB COc1cc(CNC(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC 18174778 NMGMZHILURSEQJ-UHFFFAOYSA-N 350.802 3.688 0 40 FHAB Cc1ccc(-c2cc(C(=O)N[C@@H](Cn3ccnc3)C(C)(C)C)no2)cc1 19665384 RJZMTUGTTZXYMR-SFHVURJKSA-N 352.438 3.691 0 40 FHAB Cc1ccc2c(c1)cc(C(=O)N1CCC[C@]1(C)C(=O)NC1CCCC1)n2C 19746529 DHXLEJGVIWLGLN-JOCHJYFZSA-N 367.493 3.540 0 40 FHAB COc1ccc(/C=C2/SC(=O)N(CNc3ccccc3OC)C2=O)cc1 1515445 JUSGNJBNCWGRFV-GZTJUZNOSA-N 370.430 3.810 0 40 FHAB COc1ccc(-c2cc(C(=O)N[C@H]3CCOc4ccccc43)on2)cc1 19660524 ZTLJIXHNNHAHJS-INIZCTEOSA-N 350.374 3.604 0 40 FHAB Cc1cc(-c2cc(C(=O)/N=c3/sccn3C)c3c(C)noc3n2)c(C)o1 22900286 GDJBXOUJVFONRR-CZIZESTLSA-N 368.418 3.549 0 40 FHAB CC(=O)Nc1ccc2nc(NC(=O)CSc3ccccc3)sc2c1 4496620 FKEIJEYJCHSSMQ-UHFFFAOYSA-N 357.460 3.986 0 40 FHAB CCc1ccc(C(=O)NC[C@H](c2cccn2C)N2CCCCCC2)cc1 11846216 OZPAMZMBQNQWEL-OAQYLSRUSA-N 353.510 3.935 0 40 FHAB O=C(NCCc1ccccc1)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 22504316 OOCXSQCQGXSEOE-UHFFFAOYSA-N 363.461 3.740 0 40 FHAB CC(C)c1ccc(OCC(=O)NCc2nccnc2-c2ccoc2)cc1 575621547 YQFGVXDJKYPKMX-UHFFFAOYSA-N 351.406 3.555 0 40 FHAB CCCc1nnc(SCCCOc2ccc(C=O)cc2OCC)o1 8731625 ZYJAILXOUVNBBV-UHFFFAOYSA-N 350.440 3.795 0 40 FHAB O=C(CCc1ccccc1)N1CCC[C@H]2NC[C@H](c3ccc(F)cc3)[C@H]21 19370810 DVCMVMLZRFSCCP-KCZVDYSFSA-N 352.453 3.505 0 40 FHAB CCOC(=O)CCC(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 40122614 ZYMIUZJYSYLFSG-QGZVFWFLSA-N 351.855 3.950 0 40 FHAB Cc1c(C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)oc2c(Cl)cccc12 50447271 CIDWODSSTRBBMX-LBPRGKRZSA-N 360.841 3.525 0 40 FHAB O=C(NC[C@@H](O)c1ccc(F)c(F)c1)c1cc2c(s1)CCCCC2 31299253 NVEIQYIZPDTOEO-OAHLLOKOSA-N 351.418 3.759 0 40 FHAB COC(=O)CSc1nc2ccccc2nc1NCc1ccc(C)cc1 40478917 QCDUNPRNMHJPLP-UHFFFAOYSA-N 353.447 3.815 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CCN[C@@]3(C)Cc1ccc(OC)c(OC)c1 20386875 MQXXVBHWDCWVIN-QFIPXVFZSA-N 366.461 3.797 0 40 FHAB O=C(CSc1nnnn1C1CC1)c1ccc(Oc2ccccc2)cc1 31620266 RIRQTWYQWXHRPH-UHFFFAOYSA-N 352.419 3.775 0 40 FHAB C[C@H](Sc1nc(N)c2ccsc2n1)C(=O)c1ccc(F)c(F)c1 31787616 RMPYHSDAGGKNKO-ZETCQYMHSA-N 351.403 3.915 0 40 FHAB Cn1c(C(=O)Oc2cccc(C(=O)NC3CC3)c2)c(Cl)c2ccccc21 51824037 CSAGTVOIVYLNTP-UHFFFAOYSA-N 368.820 3.943 0 40 FHAB O=C(NCCc1ccccn1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 32657079 QTVYMGUDNRXDLF-OAQYLSRUSA-N 372.424 3.508 0 40 FHAB Cc1cc(NC(=O)CN(CCc2cccs2)Cc2cccs2)no1 32764801 LYHCMKCVJQKTIE-UHFFFAOYSA-N 361.492 3.789 0 40 FHAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)C1 32998038 HCWUQWCOTAZFJR-HLLBOEOZSA-N 362.901 3.697 0 40 FHAB COc1ccc(C)cc1-n1c(S[C@@H](C)C(C)=O)nc2ccccc2c1=O 22143962 GWIGJTKRNJZLSN-AWEZNQCLSA-N 368.458 3.772 0 40 FHAB CCOC(=O)N1CCc2c(sc(N)c2C(=O)c2ccccc2Cl)C1 628959 ZJYIWVZVDGMUQU-UHFFFAOYSA-N 364.854 3.729 0 40 FHAB Cc1cccc(C(=O)Nc2ccc(I)c(C)n2)c1 679704 XCDGWTDAPCEXTG-UHFFFAOYSA-N 352.175 3.555 0 40 FHAB CC[C@H](C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 938066 KNRSHAKWIYJBGT-GSVOUGTGSA-N 371.003 3.759 0 40 FHAB O=C(NC1CCCCC1)[C@H](c1cccs1)N(C(=O)C(F)(F)F)C1CC1 1366373 BWNLPNYYSKHYSL-AWEZNQCLSA-N 374.428 3.791 0 40 FHAB O=C(NCc1ccc(OCC(F)(F)F)cc1)N1CCc2ccccc2C1 23392380 BTGDWHHRLJYZBP-UHFFFAOYSA-N 364.367 3.896 0 40 FHAB CCN(Cc1ccccc1)C1=C(Cl)C(=O)N(c2ccc(OC)cc2)C1=O 938537 DKCJNFJHTCGJKB-UHFFFAOYSA-N 370.836 3.541 0 40 FHAB COc1cc(C(=S)N2CCC(C)CC2)cc(Br)c1OC 6591533 JCEJJABOJLNMJU-UHFFFAOYSA-N 358.301 3.874 0 40 FHAB O=c1ccc(-c2ccccc2)nn1Cc1nc2ccccc2n1C(F)F 54658490 PKVOTNVDUPWQNK-UHFFFAOYSA-N 352.344 3.703 0 40 FHAB COC(=O)c1cc(CSc2nc(C)c(C)n2C[C@@H]2CCCO2)oc1C 12535296 PQMGPMUENUAGSU-AWEZNQCLSA-N 364.467 3.659 0 40 FHAB CC(=O)N[C@@H]1C(=O)N(CCCOc2cccc3ccccc23)c2ccccc21 8047425 VYQBNYNOVCKFHJ-QFIPXVFZSA-N 374.440 3.833 0 40 FHAB CCOc1ccc(NC(=O)CSc2n[nH]c(-c3cccc(C)c3)n2)cc1 8324203 BSHLEBHCTLXDTL-UHFFFAOYSA-N 368.462 3.910 0 40 FHAB CC(C)(CN1CCCC1)CN1[C@@H]2CC[C@@H]1CC(O)(c1ccc(F)cc1)C2 100763487 PMXVSZGZRAMYHV-WOJBJXKFSA-N 360.517 3.762 0 40 FHAB O=c1cc(CN2CCCc3ccc(C(F)(F)F)cc32)nc2sccn12 12534664 WDANQRZBBSLEMP-UHFFFAOYSA-N 365.380 3.728 0 40 FHAB CC(=O)c1ccc(O[C@H](C)C(=O)OCc2nc3ccccc3nc2C)cc1 25060924 YFIGJILUKUWZNR-OAHLLOKOSA-N 364.401 3.652 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2C(=O)C[C@@](C)(O)C[C@@H]2c2ccccc2)c(C)c1 107913367 ZZCYFVLFXLNREF-AGHHOFFYSA-N 351.446 3.756 0 40 FHAB O=C(Nc1cccc(OC(F)F)c1)N[C@H]1CCN(Cc2ccccc2)C1 47906728 KAQCQSCFXRKDGX-INIZCTEOSA-N 361.392 3.684 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3F)n[nH]2)c(OC)c1 57413040 WLEMFZOUEMOYAU-UHFFFAOYSA-N 355.369 3.794 0 40 FHAB Cc1ccc(C)c(NC(=O)Cn2cnc3c(sc4ccccc43)c2=O)c1 57507956 XARXUXNQDGLZDF-UHFFFAOYSA-N 363.442 3.867 0 40 FHAB O=S(=O)(N[C@@H]1CCSc2c(F)cccc21)c1ccccc1Cl 12735196 GLOYDPJDNNWBIT-CYBMUJFWSA-N 357.859 3.995 0 40 FHAB Cc1ccc([C@@H](CC(=O)N[C@@H]2C[C@@H](C)N(C)C[C@@H]2C)c2ccco2)cc1 102683667 ALGBIQNSNSQKKV-ONCXSQPRSA-N 354.494 3.955 0 40 FHAB CC(C)C[C@H](NC(=O)C[C@H](NC(N)=O)c1cccs1)c1cccs1 58245074 QJZXUCWPSJMVKP-STQMWFEESA-N 365.524 3.813 0 40 FHAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)C[C@H]2Sc3ccccc3NC2=O)o1 53643000 XGWNNLZDOQYTCX-RVZJWNSFSA-N 370.474 3.865 0 40 FHAB O=S(=O)(N[C@H](c1ccccc1)C1CC1)c1cccc(Br)c1 10677526 MFFFXDBLMHTESK-MRXNPFEDSA-N 366.280 3.879 0 40 FHAB Fc1cccc(CN2CCC[C@@]3(C[C@@H](CNc4ccncc4)CO3)C2)c1 107790837 JDTZOSNZFMVBSC-GHTZIAJQSA-N 355.457 3.704 0 40 FHAB CCn1c(SCc2nc3nc(OC)ccc3[nH]2)nnc1-c1cccs1 95468077 OGRBKPHNTRPVRZ-UHFFFAOYSA-N 372.479 3.599 0 40 FHAB CC(C)N1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccccc3)[C@H]2C1=O 100799249 SCJYZGKOFOCAKS-KURKYZTESA-N 370.836 3.595 0 40 FHAB CCN(CC)CCN(C[C@@H]1CCOC(C)(C)C1)C(=O)c1cccs1 27579190 JCUYZXDUHIMLFN-MRXNPFEDSA-N 352.544 3.737 0 40 FHAB CCN(Cc1ccccc1)C(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C 3451769 KMVRQGWMLSTCAR-IBGZPJMESA-N 356.441 3.629 0 40 FHAB Cc1cccc(NC(=O)[C@@H](C)ONC(=O)c2cccc(C(F)(F)F)c2)c1 58129157 CLXORDSJFLHRGN-GFCCVEGCSA-N 366.339 3.702 0 40 FHAB O=C(c1cccc(CN2CCC3(CC2)OCCO3)c1)c1ccccc1Cl 2515242 VHHARJOLKOHRIB-UHFFFAOYSA-N 371.864 3.910 0 40 FHAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@H](C)CN1CCCCC1 60093283 AHJUFOJFAIXUOH-HNNXBMFYSA-N 374.916 3.686 0 40 FHAB CN(Cc1ccc(Br)cc1)[C@H](C(=O)NC1CC1)c1ccccc1 12998957 WXHQCSIXYRZXIN-SFHVURJKSA-N 373.294 3.901 0 40 FHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccccc1Cl 12946697 FOYMDKLHIXQSOZ-CQSZACIVSA-N 369.856 3.552 0 40 FHAB c1coc(CN2CCO[C@H](c3cn4c(-c5ccncc5)cccc4n3)C2)c1 306134665 NUZHHGCLPBZRJA-FQEVSTJZSA-N 360.417 3.563 0 40 FHAB O=C(Nc1nc2ccccc2s1)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21 13549863 KVFQBGIKULVNFF-GUYCJALGSA-N 367.455 3.505 0 40 FHAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)N2C(=O)CSC2=N1 4178411 UPBNWWWALREVPK-MRXNPFEDSA-N 369.471 3.647 0 40 FHAB Cc1cc(Br)ccc1SCC(=O)NCCc1ccco1 14165328 IPILDVFLBMISBH-UHFFFAOYSA-N 354.269 3.802 0 40 FHAB Cc1nc(C(=O)N(C)Cc2cccc(Cl)c2)nn1-c1ccc(F)cc1 14135495 MCKIRFXIVNCKHF-UHFFFAOYSA-N 358.804 3.640 0 40 FHAB CN(C[C@@H]1COc2ccccc2O1)C(=S)Nc1ccc(F)c(Cl)c1 6865459 BVRLAMTVSNTXPX-GFCCVEGCSA-N 366.845 3.948 0 40 FHAB C[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 6881186 GJAYIJSUIHSLSJ-CYBMUJFWSA-N 373.396 3.885 0 40 FHAB COc1ccccc1-c1noc(CSc2nc3ccccc3n2C)n1 6974805 IQUIQBWDJSGHAV-UHFFFAOYSA-N 352.419 3.924 0 40 FHAB C[C@@H](OC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)N1CCCC1 7654778 NKCOEAZPYFIALY-SECBINFHSA-N 355.818 3.862 0 40 FHAB C[C@@]1(C2CCCCC2)NC(=O)N(CCOc2ccccc2Cl)C1=O 8075588 LDDJDZRCWCEECF-SFHVURJKSA-N 350.846 3.610 0 40 FHAB C[C@H](NC=O)c1nc2ccccc2n1CCCOc1ccccc1Cl 16902416 MWBKEEDTCRYYNX-AWEZNQCLSA-N 357.841 3.966 0 40 FHAB CC(C)(C)OC(=O)CSc1nnc(-c2cccc(Br)c2)o1 8312723 GPZDRLMIWZODCD-UHFFFAOYSA-N 371.256 3.933 0 40 FHAB O=C(CSc1ccc2c(c1)OCCCO2)Nc1cccc2nsnc12 19110479 VUGOOQOJYDVMPU-UHFFFAOYSA-N 373.459 3.583 0 40 FHAB Cc1ccccc1CN1CCC(NC(=O)c2scnc2C2CC2)CC1 89757408 RGYPSQPXEPYKPK-UHFFFAOYSA-N 355.507 3.723 0 40 FHAB CCN1CC[C@@H](N(C)C(=O)Nc2ccccc2OCC(F)(F)F)[C@H](C)C1 89977174 WRXZJVQSVRWRSR-UKRRQHHQSA-N 373.419 3.822 0 40 FHAB O=C(c1ccsc1)N1C[C@@]2(CCN(Cc3ccoc3)C2)c2ncccc21 306125837 DDMDOYMIOFHGLS-FQEVSTJZSA-N 365.458 3.540 0 40 FHAB Cc1ccc(OCc2nn(CC(=O)NC3CCCCC3)c(=S)o2)cc1 409151663 HPCQEIDJPCNSNI-UHFFFAOYSA-N 361.467 3.542 0 40 FHAB Cc1cc(O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc(C)c1Cl 408702512 HPIPTHLCWNAGBP-ZDUSSCGKSA-N 358.825 3.709 0 40 FHAB CCOC(=O)C1CCN(C(=O)CSCc2c(F)cccc2Cl)CC1 408544129 HKGLYQLSMWUNJU-UHFFFAOYSA-N 373.877 3.514 0 40 FHAB CCOC(=O)c1ccc(NC(=O)N(C)C[C@H]2CCCN3CCCC[C@H]23)cc1 1565520267 QDWHWZNIGMLTCT-IEBWSBKVSA-N 373.497 3.592 0 40 FHAB biogenic COCCn1c(Cc2ccccc2)nnc1SCCc1ccccc1 409106780 UHIMALXDLVPOGA-UHFFFAOYSA-N 353.491 3.850 0 40 FHAB CCOC(=O)c1c(C)oc2ccc(OS(=O)(=O)c3cccs3)cc12 32771404 KLVBJYPIODQDEC-UHFFFAOYSA-N 366.416 3.747 0 40 FHAB Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)OCc2ccccc2)c1C 408737261 MSSGEADNKHWZQZ-SFHVURJKSA-N 370.474 3.954 0 40 FHAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1 36620978 RZFSNVYIQLPLGS-QGZVFWFLSA-N 351.855 3.874 0 40 FHAB COc1cccc(NC(=O)c2cnc3c(-c4ccccc4)cnn3c2C)c1 36367268 XMYHXTUSCLIFEV-UHFFFAOYSA-N 358.401 3.966 0 40 FHAB COc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1C 35289550 UAPHPBATWNLFRH-QGZVFWFLSA-N 353.422 3.639 0 40 FHAB COc1cccc2sc(N(C)CC(=O)N[C@@H](C)c3ccccc3)nc12 70973204 OQCCATZHPHMARW-ZDUSSCGKSA-N 355.463 3.619 0 40 FHAB CCOC(=O)CCCCCCC(=O)c1ccc(CN2CCN(C)CC2)cc1 43210946 AEAJQQIOFVZKEM-UHFFFAOYSA-N 374.525 3.520 0 40 FHAB Cc1cc(C(=O)N[C@H](C)C(C)C)ccc1NS(=O)(=O)c1ccccc1 225205071 OURBIOOXCFSIJN-OAHLLOKOSA-N 360.479 3.570 0 40 FHAB COC(=O)c1ccccc1NC(=O)c1snnc1-c1ccc(C)cc1 225775016 LRAXTHNMWCJOGF-UHFFFAOYSA-N 353.403 3.552 0 40 FHAB CCOc1ccc(/C=C(\C(=O)N2CCCCCC2)n2ccccc2=O)cc1 199404308 WVPHOENDFGFPBC-LVZFUZTISA-N 366.461 3.648 0 40 FHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 222566396 ZSLPFVPBKHGWMU-INIZCTEOSA-N 372.896 3.744 0 40 FHAB CCC(CC)NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1 224264629 VGCYFLHBRNXXAM-UHFFFAOYSA-N 374.506 3.739 0 40 FHAB Cc1nn(C)c2c1[C@@H](c1cccc(Br)c1)SCC(O)=N2 49543888 HGQQHQSYWQFWSP-CYBMUJFWSA-N 352.257 3.915 0 40 FHAB O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3cccc4ccccc34)cc2o1 223324949 OYDBYLDLRWGISY-UHFFFAOYSA-N 374.805 3.729 0 40 FHAB Cc1ccccc1O[C@@H](C)C(=O)NCc1cccc(CN2CCCC2)c1 224623153 ZTLPAWLDBAJPJR-SFHVURJKSA-N 352.478 3.675 0 40 FHAB CC(C)(C)c1ccc(OCCNC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 223380371 LWSSHCHPCCBRNZ-VZUCSPMQSA-N 367.445 3.921 0 40 FHAB CC(C)c1ccccc1OCC(=O)N(C)Cc1nc(-c2cccs2)no1 95482486 KQPSAKIYBTZPRE-UHFFFAOYSA-N 371.462 3.959 0 40 FHAB CN(C)C(=O)C[C@@H]1CC2(CCN(Cc3ccco3)CC2)Oc2ccccc21 96053141 CSJKULSSWBWSBR-QGZVFWFLSA-N 368.477 3.659 0 40 FHAB COc1cccc(F)c1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(C)=O 257288524 PUMXPYAGLYJPSM-NPUWGXQJSA-N 361.457 3.853 0 40 FHAB Cn1cc([C@H](O)CNC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 96096456 NDIMAURBDJTNOY-QGZVFWFLSA-N 363.244 3.949 0 40 FHAB CSc1cccc(C(=O)N2CCC[C@@H]2Cn2c(C)nc3ccccc32)n1 648840449 PSIAAZQIBGOTMQ-OAHLLOKOSA-N 366.490 3.766 0 40 FHAB CCCCc1ccc(C(=O)N[C@@H](C(=O)NCc2ccco2)C(C)C)cc1 670417801 FVPNZJFMVSOBLC-LJQANCHMSA-N 356.466 3.693 0 40 FHAB COC[C@H]1CN(Cc2ccsc2)CC12CCN(Cc1ccco1)CC2 585102658 AFPONOAHLPMYTC-GOSISDBHSA-N 360.523 3.702 0 40 FHAB CCS(=O)(=O)c1cccc(Cc2nc([C@@H]3CCc4ccccc43)no2)c1 683580239 AKOQEBGAAIKOEX-GOSISDBHSA-N 368.458 3.532 0 40 FHAB O=C(Nc1cccc(OCc2cccc(F)c2)c1)c1cnn2cccnc12 55796265 SZNCFWMMYYPKDQ-UHFFFAOYSA-N 362.364 3.700 0 40 FHAB CNc1ncc(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)s1 79110370 KKTITAAABUWETG-SSDOTTSWSA-N 374.249 3.676 0 40 FHAB CC(C)(C)C(=O)OCc1cccc(Cl)c1NC(=O)c1cnc(N)s1 141580709 YOIQSIGOUCFFOS-UHFFFAOYSA-N 367.858 3.720 0 40 FHAB in-vitro CCOC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(OC)cc1 11636999 DLAWSBZBHOZEQN-SFHVURJKSA-N 357.406 3.668 0 40 FHAB Cc1nc2c(c(N(C)Cc3ccccc3)n1)CN(Cc1ccccc1)CC2 12183231 OGLFNVSLALOPED-UHFFFAOYSA-N 358.489 3.980 0 40 FHAB CCN(CC)CCCNc1ncc(-c2cc(C)no2)c(-c2ccco2)n1 12184329 KMNSPAGTLKOMTH-UHFFFAOYSA-N 355.442 3.844 0 40 FHAB CCOCc1nnc(NC(=O)c2c(-c3cccc(C)c3)noc2C)s1 12202179 RGBWYJBSGDWZKS-UHFFFAOYSA-N 358.423 3.599 0 40 FHAB CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1cc(C)no1 14677181 GAVUGTHKEYAPGM-ZBEGNZNMSA-N 364.829 3.524 0 40 FHAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCC(C)CC3)c2)c1 15734905 GYSBVIZZPCXLBS-UHFFFAOYSA-N 372.490 3.668 0 40 FHAB CC(=O)Nc1cc2ccccc2nc1C1CCN(C(=O)c2ccccn2)CC1 19022249 JFLJTZZXQJCALU-UHFFFAOYSA-N 374.444 3.608 0 40 FHAB Cc1cnccc1-c1c[nH]nc1[C@@H]1CCCN1C(=O)Cc1cccc(F)c1 19239633 HZKTWZZKGOMVRT-IBGZPJMESA-N 364.424 3.825 0 40 FHAB Cc1ccc([C@@H]2SC[C@H](C(=O)O)N2C(=O)c2cccc(Cl)c2)cc1 974398 KEHAOGCUVNGZOK-WBVHZDCISA-N 361.850 3.989 0 40 FHAB CC1(C)C[C@@]2(CCO1)OC(=O)C[C@H]2C(=O)Nc1ccc(Cl)c(Cl)c1 1080445 NOZRZTYSEBUEFS-APPDUMDISA-N 372.248 3.823 0 40 FHAB O=C(CC1CCCCC1)N(c1ccc(Cl)cc1)[C@@H]1C=CS(=O)(=O)C1 4165213 ACINYARFJDNZGP-QGZVFWFLSA-N 367.898 3.954 0 40 FHAB O=C(CSc1nc2ccccc2[nH]1)NCC12CC3CC(CC(C3)C1)C2 4576370 SEHZMNIJWHBNJT-UHFFFAOYSA-N 355.507 3.988 0 40 FHAB Cc1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2Cl)c1 4727618 OOZLFGINZXVTDL-UHFFFAOYSA-N 364.854 3.576 0 40 FHAB CCCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccccc3)ccc21 8840792 SBBVJYAIXZTOCQ-UHFFFAOYSA-N 372.490 3.708 0 40 FHAB O=C(N[C@H](c1ccsc1)c1cccs1)[C@H]1COc2ccccc2O1 575414987 WFXWCWMPIMQWQX-NVXWUHKLSA-N 357.456 3.855 0 40 FHAB COC(=O)c1ccccc1C(=O)N1CCS[C@H](c2cccs2)CC1 219492101 UBFKDCZSCPBDPR-INIZCTEOSA-N 361.488 3.855 0 40 FHAB O[C@](/C=C/c1ccc(Br)cc1)(Cn1ccnc1)c1cccnc1 18191387 PCQKJYLOGPFRBW-LKGOPFMKSA-N 370.250 3.642 0 40 FHAB CCCCn1c(O)c(C(=O)Nc2cccc(F)c2)c(=O)c2ccccc21 5737755 KKSGVKIHGPZGEX-UHFFFAOYSA-N 354.381 3.899 0 40 FHAB Nc1cccc(S[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1 13576039 IJYVKRNHQHOLBL-AWEZNQCLSA-N 366.364 3.712 0 40 FHAB CCCSc1nnc2[nH]c3c(c(=O)n12)C1(CCCC1)Cc1ccccc1-3 101139592 KLPJMZIOXXSFPX-UHFFFAOYSA-N 366.490 3.955 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ccccc2O)CC1 40097901 UOTGJRJUJOLVTP-UHFFFAOYSA-N 365.355 3.765 0 40 FHAB CC(=O)c1cn(CCC(=O)Nc2nnc(C(C)C)s2)c2ccccc12 40287828 YROCMYMVQHUXPI-UHFFFAOYSA-N 356.451 3.848 0 40 FHAB O=C(Nc1ccccc1F)[C@H]1CC(O)=Nc2cc(-c3ccccc3)nn21 20734516 XTHQDFVGRGOHRH-MRXNPFEDSA-N 350.353 3.861 0 40 FHAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3nncs3)cccc2c1=O 21212996 SSALDSHVOSIPBV-UHFFFAOYSA-N 363.398 3.872 0 40 FHAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)NC(=O)[C@@]2(C)CC2(Cl)Cl)C1 102203038 WIVLOUMINQXUAV-COLVAYQJSA-N 363.354 3.872 0 40 FHAB Cc1ccc(C)c(C(=O)CSc2ccc(C(=O)N3CCCC3)cn2)c1 32789423 HKXJQTAGIOJUQV-UHFFFAOYSA-N 354.475 3.909 0 40 FHAB CC(C)(C)c1nc(CN2CCN(C(=O)c3cccc(F)c3)CC2)cs1 32913824 PHUKACPVZIKAMD-UHFFFAOYSA-N 361.486 3.538 0 40 FHAB O=C(OCCOc1ccc(Cl)cc1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 102773059 MFFBVQWTTKSBKS-CXTCDGGRSA-N 350.842 3.593 0 40 FHAB CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(C)cc2)n2ncnc2N1 938904 WUVITDXLFMWNKW-FQEVSTJZSA-N 374.444 3.661 0 40 FHAB Cn1c(O)c(C(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c2ccccc21 1323930 UXRMPDGGJVYVDH-UHFFFAOYSA-N 362.307 3.515 0 40 FHAB CCN(CC)C[C@H](O)c1cc(Br)cc(Br)c1 1718249 GKEFJYGSBIPDAM-LBPRGKRZSA-N 351.082 3.587 0 40 FHAB CCCCCOC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 1780719 KUMZXBLOSTZUEX-UHFFFAOYSA-N 372.446 3.595 0 40 FHAB CC[C@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@H](c3ccccc3)N2C1=O 2463490 MHUNLHPJSWTLBC-WBVHZDCISA-N 372.490 3.925 0 40 FHAB O=S(=O)(Nc1ccc(Br)cc1)c1cccc2cccnc12 2465218 ZRIVCENPMRMEDM-UHFFFAOYSA-N 363.236 3.798 0 40 FHAB CSc1nnc2n1CCCN2C(=O)Nc1ccc(Cl)c(Cl)c1 2507060 YSZJAZSGMIXOLX-UHFFFAOYSA-N 358.254 3.749 0 40 FHAB FC(F)(F)c1ccnc(OCCONC(Cl)=C(Cl)Cl)c1 2555868 KPLUFKUFKJGLER-UHFFFAOYSA-N 351.539 3.843 0 40 FHAB CCOc1ccc(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)cc1 2725253 XSQYRBSYSIRVJW-UHFFFAOYSA-N 368.311 3.894 0 40 FHAB O=C(OCC(=O)c1cccc2ccccc12)c1cc(=O)c2ccccc2o1 3253999 RDTWVUYCPZDDSL-UHFFFAOYSA-N 358.349 3.986 0 40 FHAB O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)NCc1ccccc1 3367277 XZNNCOUIEOCEQC-UHFFFAOYSA-N 373.623 3.515 0 40 FHAB COC(=O)c1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 3477675 XQZMFILAQGRCMJ-UHFFFAOYSA-N 370.386 3.544 0 40 FHAB C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)Nc1ccc2c3c(cccc13)CC2 4687141 RWTRESXQFYFWTI-KBXCAEBGSA-N 365.477 3.897 0 40 FHAB CN1CCC2(CC1)Oc1ccccc1[C@H]1[C@@H]3CCc4ccccc4C3=NN12 4812629 COBOEWUKKRMQNZ-KNQAVFIVSA-N 359.473 3.824 0 40 FHAB CCC(=O)N1c2ncnn2[C@@H](c2ccccc2OC)C[C@H]1c1ccccc1 4816892 FOTBVEOODVWDIH-ZWKOTPCHSA-N 362.433 3.764 0 40 FHAB COC(=O)CSc1nnc(-c2ccoc2C)n1-c1cc(C)ccc1C 4852378 HPVNSKHOVBJMHD-UHFFFAOYSA-N 357.435 3.718 0 40 FHAB COc1ccccc1N1C[C@H](C(=O)Nc2ccc(C)c(Cl)c2)CC1=O 5002147 AKXRNLSIDCEAJZ-CYBMUJFWSA-N 358.825 3.649 0 40 FHAB O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(F)c(F)c1 5252290 RYSGDYSZRYWHIM-UHFFFAOYSA-N 356.372 3.906 0 40 FHAB C[C@@H](Sc1nc2cc(Cl)cnc2[nH]1)C(=O)NCC1CCCCC1 5310057 VKEZSVBKBXZNRY-SNVBAGLBSA-N 352.891 3.788 0 40 FHAB Cc1cccc(NC(=O)c2c(O)n(CCC(C)C)c3ccccc3c2=O)n1 5926880 QBDQGCGNELMNAP-UHFFFAOYSA-N 365.433 3.709 0 40 FHAB O=C(O)[C@@H]1COC2(CCCCC2)N1C(=O)c1ccc(Cl)c(Cl)c1 6727670 JCKFGVABHPLGFP-ZDUSSCGKSA-N 358.221 3.579 0 40 FHAB O=C(COC(=O)/C=C/c1ccc(F)cc1)Nc1ccc(F)c(Cl)c1 6886919 NAMRHBPWIUVNAZ-FPYGCLRLSA-N 351.736 3.813 0 40 FHAB Cc1cc(N)nc(SCc2ccc(C(=O)Nc3ccccc3)cc2)n1 7049299 XNZOFJPLARCVOG-UHFFFAOYSA-N 350.447 3.912 0 40 FHAB O=C1COc2ccc(C(=O)COc3cccc(Cl)c3Cl)cc2N1 7133701 OSKDMMFNZDAMGB-UHFFFAOYSA-N 352.173 3.586 0 40 FHAB CCn1c(SCc2nnc(C)o2)nnc1-c1cc(Cl)ccc1OC 7604733 BCPDGWDLMMEDBG-UHFFFAOYSA-N 365.846 3.611 0 40 FHAB COc1ccc(CCNC(=O)CCSCc2ccccc2)cc1OC 7685691 URLYIWWYSWHQQQ-UHFFFAOYSA-N 359.491 3.686 0 40 FHAB Cc1ccc(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 8310307 AQCSTGJLLGTMPB-IBGZPJMESA-N 366.461 3.932 0 40 FHAB c1c(-c2nc3c4c5c(sc4ncn3n2)CCCCC5)n[nH]c1C1CC1 8740348 RKLFTUJPZRZORQ-UHFFFAOYSA-N 350.451 3.875 0 40 FHAB C[C@H](NC(=O)c1cccs1)C(=O)Nc1nc2ccc(Cl)cc2s1 8772279 NWEARVKMEVYRAJ-QMMMGPOBSA-N 365.867 3.768 0 40 FHAB COc1cc(OC)cc(C(=O)NCCOc2cc(C)ccc2C(C)C)c1 8816516 QOJHBYQGQFDNEI-UHFFFAOYSA-N 357.450 3.944 0 40 FHAB COc1ccc(Nc2nc(N3CCCCC3)nc3c2cnn3C)cc1Cl 9212247 UKGGDGLQOPBBCO-UHFFFAOYSA-N 372.860 3.759 0 40 FHAB CSc1ncc(C(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)cn1 12188250 ZWENUVDXZSWQES-MRXNPFEDSA-N 364.474 3.767 0 40 FHAB COc1cccc(CC(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)c1 12549872 UAMROMHSTXBVOA-IBGZPJMESA-N 369.852 3.530 0 40 FHAB COc1cc(NC(=O)COc2cccc(C)c2)ccc1NC(=O)C(C)C 12843186 PEZPPGOJJQVVSB-UHFFFAOYSA-N 356.422 3.616 0 40 FHAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1ccccc1 12876525 UQKQCLWKUABWSU-UHFFFAOYSA-N 367.455 3.825 0 40 FHAB CNC(=O)c1ccc(CN(C)C(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 14185538 OHAHTMBOZMKWBT-UHFFFAOYSA-N 374.868 3.516 0 40 FHAB COc1ccc(NC(=O)c2ccc(Br)cc2F)cc1OC 14201100 ZFXJSWCFTMWWII-UHFFFAOYSA-N 354.175 3.858 0 40 FHAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(OCC(F)(F)F)nc1 14233276 RPGGLONXWBZKFW-UHFFFAOYSA-N 354.372 3.721 0 40 FHAB O=C(Nc1nc2ccccc2s1)c1cccc(CN2CCCC2=O)c1 15612308 QNCSOBOKTUQOIJ-UHFFFAOYSA-N 351.431 3.671 0 40 FHAB O=C(Nc1ccccc1F)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 15882988 ZUGYSJSXLPOEDJ-UHFFFAOYSA-N 356.784 3.941 0 40 FHAB Cc1cc(S[C@H](C)C(=O)N2CCc3ccccc3C2)nc(C(C)C)n1 16454159 LGULVLYFYFYZJV-OAHLLOKOSA-N 355.507 3.974 0 40 FHAB Cc1cnccc1-c1cnn(CCNC(=O)[C@H]2CC=CCC2)c1C1CC1 19239871 HZEAABWLEAJEDB-KRWDZBQOSA-N 350.466 3.603 0 40 FHAB O=C(O)Cc1ccc(NC(=S)NC(=O)c2cccc3ccccc23)cc1 20152220 KPPVFNFCRZXRBX-UHFFFAOYSA-N 364.426 3.594 0 40 FHAB Cc1n[nH]c(SCc2ccc(NC(=O)c3cccnc3Cl)cc2)n1 20293661 AKQCVLVDWRDPQL-UHFFFAOYSA-N 359.842 3.706 0 40 FHAB COc1ccc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)cc1OC 20661922 YQVUEOIHFTYHPD-UHFFFAOYSA-N 365.368 3.715 0 40 FHAB Clc1ccccc1Cn1cc(CNCc2ccc3c(c2)OCO3)cn1 22742621 XJYMXLWYVGNQCE-UHFFFAOYSA-N 355.825 3.603 0 40 FHAB O=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1cc(Cl)ccn1 23021056 OYFBCSGTSOICEB-UHFFFAOYSA-N 355.781 3.510 0 40 FHAB O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1n[nH]c2ccccc12 23055198 DAUSCLKFUPBSNH-FQEVSTJZSA-N 367.412 3.959 0 40 FHAB O=C(c1ccc2c(c1)OCO2)N1CCC(c2nc3ccccc3o2)CC1 23534370 BDTQWHXDJYDDMB-UHFFFAOYSA-N 350.374 3.576 0 40 FHAB O=C(Nc1ccccc1C(=O)N[C@@H]1CCOc2ccccc21)c1ccco1 23646863 RSTTVQCGTZNLPX-QGZVFWFLSA-N 362.385 3.786 0 40 FHAB O=C(c1ccccc1)N1CCN(Cc2csc(-c3ccsc3)n2)CC1 23866120 UFHFTHAYKAGEPQ-UHFFFAOYSA-N 369.515 3.830 0 40 FHAB O=C(NCc1cccnc1-n1cccn1)c1cc2c(F)cccc2s1 24796132 OUYHZFXBNATFQQ-UHFFFAOYSA-N 352.394 3.551 0 40 FHAB CN(C)C1(CNC(=O)Cc2csc(-c3ccsc3)n2)CCCCC1 24975503 WZATWKDUQIQYIV-UHFFFAOYSA-N 363.552 3.795 0 40 FHAB C[C@H](OC(=O)[C@H]1Cc2cc(Cl)ccc2O1)C(=O)c1c[nH]c2ccccc12 25107649 WIMYRCCAQOKXBX-BBATYDOGSA-N 369.804 3.939 0 40 FHAB CCOC(=O)c1ccc(OS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 25651666 HKOYTVUEASURNW-UHFFFAOYSA-N 374.336 3.650 0 40 FHAB Cn1cc(/C=C/C(=O)N(CCc2cccs2)Cc2cccs2)cn1 25847110 QUXNKKWRNGLQRZ-VOTSOKGWSA-N 357.504 3.828 0 40 FHAB CNC(=O)c1ccccc1NC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 27401449 LUPUFKUIHVKTPQ-UHFFFAOYSA-N 362.385 3.761 0 40 FHAB CC(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(C)c3ccc(Cl)cc32)cc1 27546783 IEIQAPAUXKSIGD-FQEVSTJZSA-N 357.837 3.900 0 40 FHAB CC(C)C[C@@H](C(=O)NC1CCCCCCC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 28883235 ATHKDBDBTGEMFW-FHWLQOOXSA-N 374.525 3.581 0 40 FHAB O=C(Cc1c(F)cccc1Cl)N1CCO[C@H](c2ccc(F)cc2)C1 29112414 JYYYMONJLCQBNA-KRWDZBQOSA-N 351.780 3.761 0 40 FHAB CCCOC(=O)c1ccc(NC(=O)CN(C)[C@@H]2CCc3ccccc32)cc1 29484393 AMDVXFUZDIJTNN-HXUWFJFHSA-N 366.461 3.811 0 40 FHAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCOc2ccccc21 30578065 RJHZPXDDWBOBEU-SFHVURJKSA-N 372.852 3.520 0 40 FHAB Cc1ccc(SCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 31852168 ZILDVQGIMKGZCW-VMPITWQZSA-N 366.530 3.945 0 40 FHAB COC(=O)c1c(C)[nH]c(-c2ccc(F)cc2)c1[C@H]1C(=O)Nc2ccccc21 32092154 HAGMOUHMWUWIJQ-KRWDZBQOSA-N 364.376 4.000 0 40 FHAB CC(C)(C)C(=O)NC(=S)/N=c1/[nH]c2c(Cl)c(Cl)ccc2s1 32126412 MROPEGFGJOTACI-UHFFFAOYSA-N 362.307 3.884 0 40 FHAB Cc1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Br 32602088 SPYWBFFDUXIRDT-UHFFFAOYSA-N 352.681 3.586 0 40 FHAB O=C(Cc1ccc2c(c1)OCCO2)N1CCSc2ccc(Cl)cc21 32802002 UEMZVTFSNJDJQZ-UHFFFAOYSA-N 361.850 3.793 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2nc3ccccc3s2)C1 32855830 RPBDCEDAAVBQAL-GFCCVEGCSA-N 361.467 3.882 0 40 FHAB COc1cccc(CC(=O)NCc2ccc(CN3CCC[C@@H](C)C3)cc2)c1 32930086 XTUMYGCOGZXUMV-GOSISDBHSA-N 366.505 3.786 0 40 FHAB CCOc1cccc(-c2noc(-c3nn(-c4ccc(C)cc4)ccc3=O)n2)c1 33300370 GJKZACQJFKVRAP-UHFFFAOYSA-N 374.400 3.657 0 40 FHAB CCCn1nc(C(=O)Nc2ccc(SC(F)(F)F)cc2)ccc1=O 40159749 BRNJMMQDJLJQAL-UHFFFAOYSA-N 357.357 3.518 0 40 FHAB CCOc1ccc2c(c1)cc(C(=O)Nc1ccccc1C(=O)OC)n2C 46007425 RKJQAXDGTCJSIQ-UHFFFAOYSA-N 352.390 3.616 0 40 FHAB CCCCc1nc(CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)cs1 47346961 BUSSCXQAQGHWJY-IBGZPJMESA-N 357.479 3.761 0 40 FHAB CC(C)(C)n1nc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1C1CC1 48359168 YUUDGSPWWLSIAV-UHFFFAOYSA-N 366.465 3.895 0 40 FHAB CC[C@H](NC(=O)C[C@@H]1C=CCC1)c1ccccc1OCC(=O)N1CCCC1 55596700 UOJOMZAMNUHWPZ-MJGOQNOKSA-N 370.493 3.611 0 40 FHAB O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)N1CCCCC1 57486732 RUSZUITVJYDCMF-UHFFFAOYSA-N 370.840 3.871 0 40 FHAB CCn1ncc2c(C(=O)OCCCCOC)cc(-c3ccccc3)nc21 59957900 TVADPJSOFITCQH-UHFFFAOYSA-N 353.422 3.702 0 40 FHAB CCCS(=O)(=O)Nc1ccc(NC(=O)C(C)(C)c2ccccc2)cc1 60094155 DYDFZVXTBIHEMM-UHFFFAOYSA-N 360.479 3.755 0 40 FHAB O=C(C[C@@H]1C(=O)Nc2ccccc21)Nc1ccc(OC(F)(F)F)cc1 63849481 MHWUULBENZLZGA-ZDUSSCGKSA-N 350.296 3.650 0 40 FHAB Cc1ccc(Nc2nn[nH]c2C(=O)N[C@H](C)c2ccc(F)cc2)cc1C 67283962 GNQXSLZUHQWJLW-CYBMUJFWSA-N 353.401 3.795 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cnc(Cl)c(C)c2)cc1 72217789 CNGWVBYXWGIYSG-MRXNPFEDSA-N 350.871 3.878 0 40 FHAB Cc1cc(C(=O)CCCCNC(=O)OC(C)(C)C)cnc1N1CCCC1 72218840 WDQSLRRKQRJBAS-UHFFFAOYSA-N 361.486 3.868 0 40 FHAB O=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(N2CCCCCC2)nc1 72269972 INWJHFNINPBWTG-UHFFFAOYSA-N 367.421 3.541 0 40 FHAB Cc1ccccc1NC(=O)[C@H](C)OC(=O)[C@@H]1SCCc2sccc21 76091689 XQKNSNGSASSLAI-BLLLJJGKSA-N 361.488 3.957 0 40 FHAB CN(CC(F)(F)F)C(=O)c1cc(-c2ccc(Br)cc2)on1 80345730 RMJWUWZCSRPXFY-UHFFFAOYSA-N 363.133 3.738 0 40 FHAB CCN1CC[C@@H](N(C)C(=O)Nc2cccc(-n3nc(C)cc3C)c2)[C@H](C)C1 84780026 VAULPUZGMTZBRF-FOIQADDNSA-N 369.513 3.683 0 40 FHAB CC(C)c1noc(CCC(=O)NCCc2csc(-c3ccccc3)n2)n1 89893631 USPZYLDEVPQEDP-UHFFFAOYSA-N 370.478 3.608 0 40 FHAB CCCCN(CC)C(=O)c1cc(-c2cnc(N(C)C)nc2)cn1CC1CC1 96037651 CGGYQUQKICEFRB-UHFFFAOYSA-N 369.513 3.683 0 40 FHAB CC(C)Oc1ccc(CNC(=O)c2noc(-c3ccccc3F)n2)cc1 96105679 NPIGAFIYOYNFOH-UHFFFAOYSA-N 355.369 3.593 0 40 FHAB CO[C@H]1CCN(C(=O)c2cc(C3CC3)on2)C[C@@H]1Cc1cccc(C)c1 96110544 FNVYLPVYTSFZRR-HKUYNNGSSA-N 354.450 3.580 0 40 FHAB C[C@H](c1cccs1)N(C)C(=O)c1ccc(/C=C2/SC(=O)NC2=O)cc1 96926010 XTOGQLZZJBWANT-HGLKBHAMSA-N 372.471 3.905 0 40 FHAB CSc1cnn(-c2ccccc2)c1NC(=O)c1ccc2c(c1)COCO2 97228941 DLAJYUALFIZGKZ-UHFFFAOYSA-N 367.430 3.713 0 40 FHAB CCn1/c(=N/C(=O)c2cccc(F)c2)sc2c(OC)ccc(OC)c21 100908659 BMNPBJCQLBAGMU-ZZEZOPTASA-N 360.410 3.620 0 40 FHAB CC1=NN(c2ccccc2)C(=O)[C@@H]1C(C)[C@H]1C(=O)N(c2ccccc2)N=C1C 101983961 XXUNMLVXMWONRB-WOJBJXKFSA-N 374.444 3.700 0 40 FHAB in-vitro Cc1ccc(C)c(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1 128171963 UYMMVNJGJSEKDX-UHFFFAOYSA-N 359.429 3.881 0 40 FHAB Cc1cc(C(=O)NC(C)C)ccc1NS(=O)(=O)c1ccc(Cl)cc1 194724896 RVVWTLCKFALYQA-UHFFFAOYSA-N 366.870 3.587 0 40 FHAB Brc1cccc(OC[C@@H]2CN(Cc3ccccc3)CCO2)c1 217498108 SNDQYBCLBQUDMM-SFHVURJKSA-N 362.267 3.729 0 40 FHAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1C 223437140 RBFMNTRNCYTKFX-MRXNPFEDSA-N 374.506 3.783 0 40 FHAB Cc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1 224103626 DUDLMDFIVMRWHA-LJQANCHMSA-N 366.505 3.727 0 40 FHAB CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224951339 AUVNIJRYNPQHJE-UHFFFAOYSA-N 355.843 3.572 0 40 FHAB CCc1cccc(CC)c1NC(=O)Cn1ccc(=O)c2cc(F)ccc21 225752623 LTSQHVWNHYNPRZ-UHFFFAOYSA-N 352.409 3.904 0 40 FHAB O=C(CC1CCOCC1)N1CCC[C@@H](Cc2cccc3cccnc23)C1 257207666 BIRCXYLDUQHJLM-SFHVURJKSA-N 352.478 3.833 0 40 FHAB CC(C)c1ncc(C(=O)N2C[C@@H](COc3ccccc3)OC(C)(C)C2)s1 329162881 ZWZCHDGFAABOBZ-INIZCTEOSA-N 374.506 3.965 0 40 FHAB O=C([C@@H]1CCC(F)(F)C1)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 330138867 IMOUKRURCMKMKN-HUUCEWRRSA-N 360.408 3.613 0 40 FHAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccco3)C2=O)c1C 409316871 MVYRHFMPGJWLPY-OQLLNIDSSA-N 356.403 3.571 0 40 FHAB O=C(NC[C@H](c1ccco1)n1cccn1)Nc1ccccc1C(F)(F)F 575614632 ZJJUEIADTJQSET-CQSZACIVSA-N 364.327 3.906 0 40 FHAB Fc1ccc(CN2CC3(C[C@H](OCc4cccnc4)CS3)C2)cc1F 585104677 KVQFKXJSVVRVIE-INIZCTEOSA-N 362.445 3.637 0 40 FHAB Cc1cc(C)cc(C(=O)N2CC3(C[C@H](OCc4ccccn4)CS3)C2)c1 585104923 MLWSYKXBQITDSZ-IBGZPJMESA-N 368.502 3.615 0 40 FHAB c1cncc(COCC[C@H]2CCOC23CCN(Cc2ccco2)CC3)c1 585104956 MUDHAORBGOWNAF-IBGZPJMESA-N 356.466 3.653 0 40 FHAB O=C(NCCc1c[nH]c2cc(F)c(Cl)cc12)c1cncnc1C1CC1 585124213 DOULHRSSKQAZGB-UHFFFAOYSA-N 358.804 3.600 0 40 FHAB O=C(O)c1ccc(NC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)cc1 630101267 RNXFQZXFMFDDSP-KRWDZBQOSA-N 358.825 3.641 0 40 FHAB COc1ccnc(CNC(=O)NC[C@H]2CCC[C@@H]2c2ccccc2)c1F 661256841 WKKIQHFZHNZBCI-HZPDHXFCSA-N 357.429 3.612 0 40 FHAB O=C(/C=C/c1ccc2c(c1)OCO2)NCC(c1ccco1)c1ccco1 675007826 SPIPTNLXWUUDGR-SOFGYWHQSA-N 351.358 3.563 0 40 FHAB Cc1ccccc1CN1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 1615122617 PYHAHCBKQOLTNG-QHCPKHFHSA-N 364.489 3.783 0 40 FHAB O=C(Cc1ccc(F)cc1)NC[C@H](O)c1ccc(-c2cccs2)cc1 1775976994 FLUZXASYRPYEDO-SFHVURJKSA-N 355.434 3.947 0 40 FHAB O=C(c1cc2c(nn1)CCCC2)N1CCC[C@@H](c2nc3ccccc3o2)C1 1888913802 CZDLSFGVZHCORS-OAHLLOKOSA-N 362.433 3.516 0 40 FHAB c1ccc(-c2nc(CN3CC[C@H]4CN(c5ccccn5)C[C@H]43)cs2)cc1 1889205958 IFSFBMZUMINXBB-PKOBYXMFSA-N 362.502 3.916 0 40 FHAB Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1ccc(Cl)cn1 678425 OUXCSIKILUPUKX-UHFFFAOYSA-N 370.261 3.589 0 40 FHAB Cc1cccc(-c2nnc(SCC(=O)Nc3nc(C)c(C)s3)n2C)c1 896982 UADWLSBAXQRRFM-UHFFFAOYSA-N 373.507 3.595 0 40 FHAB Cc1cc2cc3c(cc2nc1SCC(=O)N1CCC(C)CC1)OCCO3 928350 OWUMCRGSGTVOGK-UHFFFAOYSA-N 372.490 3.665 0 40 FHAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(OC(F)(F)F)cc1 1070914 JNOPLZDWECDYIV-OAHLLOKOSA-N 369.295 3.884 0 40 FHAB CC(C)(C)C1CCC(OC[C@@H](O)CN2C(C)(C)CC(O)CC2(C)C)CC1 1470037 AVIBQUGXCYWJEA-AVAKVYKDSA-N 369.590 3.983 0 40 FHAB COc1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1OC 2655871 MFRYOSAKHOACKW-UHFFFAOYSA-N 351.406 3.759 0 40 FHAB CSc1ncccc1C(=O)OCC(=O)c1ccc(Br)s1 3217605 HSEWHWYBHCYBKO-UHFFFAOYSA-N 372.265 3.667 0 40 FHAB CN(Cc1ccccc1)C(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 3237765 CLNNGVAZWPBKBP-UHFFFAOYSA-N 374.440 3.539 0 40 FHAB CCOC(=O)COc1ccc2c(=O)c(Oc3ccccc3F)c(C)oc2c1 3254097 PNXYYUCRLXBJMB-UHFFFAOYSA-N 372.348 3.975 0 40 FHAB Cc1ccc(C(=O)[C@H](C)Sc2nnnn2-c2ccc(Cl)cc2)cc1 3493089 ZPRSOMVEWOWDKS-LBPRGKRZSA-N 358.854 3.988 0 40 FHAB COc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1OC 3565572 IWTUSPZHYLKSDF-UHFFFAOYSA-N 350.212 3.648 0 40 FHAB COc1ccccc1-c1nnc(NC(=O)CSc2ccc(C)cc2)o1 4496489 ZMYBVGWFCPQHHF-UHFFFAOYSA-N 355.419 3.784 0 40 FHAB CCCCn1c(SCC(=O)Nc2cccc(C)n2)nnc1-c1ccco1 4856032 BPAUOHPGNVKJKX-UHFFFAOYSA-N 371.466 3.772 0 40 FHAB Cc1sc2nc([C@H](C)OC(=O)c3cccc(N(C)C)c3)[nH]c(=O)c2c1C 5356005 ILQFIKZAZSUTNE-NSHDSACASA-N 371.462 3.585 0 40 FHAB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C 5379146 QXTWZEGENLVVRE-GOMYTPFNSA-N 368.473 3.961 0 40 FHAB CCOC(=O)[C@@](CCCO[C@H]1CCCCO1)(C(=O)CC)c1ccccc1 5395479 ATTJIMONXCEURB-PZJWPPBQSA-N 362.466 3.790 0 40 FHAB C[C@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)NC1CCCC1 5448321 KAOIDDWMEFDNLS-NSHDSACASA-N 364.902 3.675 0 40 FHAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3cn4ccccc4n3)c2)C1 6244494 NMJSVLKCZCJSDG-HOTGVXAUSA-N 369.490 3.668 0 40 FHAB O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(CN2CCCCC2)cc1 6548245 HZMMNEMIISOGTB-ZHACJKMWSA-N 369.490 3.792 0 40 FHAB O=C(COc1ccccc1)NC(=S)Nc1ccc(Cl)c(Cl)c1 6575466 ANSSMFARQLVBAA-UHFFFAOYSA-N 355.246 3.885 0 40 FHAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Br)o2)cc1 6612221 XZRBGQLYXLVSMB-SNVBAGLBSA-N 366.211 3.789 0 40 FHAB CCOc1ccc(C(=O)CSc2nnnn2-c2ccc(Cl)cc2)cc1 6649077 ZVIHGPDPACJXRD-UHFFFAOYSA-N 374.853 3.689 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)n1nc(-c2cccs2)oc1=O 7252299 DBYNXKKNMIKWFV-NSHDSACASA-N 353.403 3.798 0 40 FHAB CCOc1c(Br)cc(C(=O)NCc2ccccc2)cc1OC 7608829 OMNOSJQVRJWBIA-UHFFFAOYSA-N 364.239 3.786 0 40 FHAB CC(C)c1ccc(/C=C/C(=O)OCc2cc(=O)n3ccsc3n2)cc1 7982084 WCPUIAYJPFPXTI-VMPITWQZSA-N 354.431 3.636 0 40 FHAB CCC[C@H](C)NC(=O)Cn1c(NCc2ccccc2)nc2ccccc21 7989842 KKTTTXINQRNYFU-INIZCTEOSA-N 350.466 3.953 0 40 FHAB C[C@@H]1C[C@@H](Sc2nnc(Cc3cccs3)n2-c2ccccc2)C(=O)O1 8193455 GFFNJPORVFPYLP-IUODEOHRSA-N 371.487 3.716 0 40 FHAB O=C1CSc2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2N1 9656764 LFPVMLURQLNUPQ-UHFFFAOYSA-N 368.443 3.502 0 40 FHAB CCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc21 9828235 MHQVUTUVHHHMGY-UHFFFAOYSA-N 370.883 3.501 0 40 FHAB COC(=O)NCCc1nc2ccccc2n1Cc1c(F)cccc1Cl 10381648 AGNFYBRKGPGJRN-UHFFFAOYSA-N 361.804 3.776 0 40 FHAB C[C@@H](CNC(=O)c1ccc2[nH]cnc2c1)c1nc2ccccc2n1C(F)F 10639584 DHIWQFDGHVNQCE-NSHDSACASA-N 369.375 3.841 0 40 FHAB CC[C@@H]1CCc2sc(-c3nnc(S[C@@H](C)C(=O)OC)n3C)cc2C1 10830313 OLELZENHQSLKRE-WDEREUQCSA-N 365.524 3.712 0 40 FHAB CC(=O)c1ccc(N2CCN(C(=O)c3ccccc3Cl)CC2)c(F)c1 11006810 SCKHQKHYYDPMTM-UHFFFAOYSA-N 360.816 3.644 0 40 FHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc2ncsc2c1 11083171 DIKWOTXDTKJFPS-UHFFFAOYSA-N 362.458 3.813 0 40 FHAB COc1cccc(F)c1-c1nc(C(=O)NCc2ccccn2)c(C)s1 11866064 GUZDDBVIVDRVAT-UHFFFAOYSA-N 357.410 3.591 0 40 FHAB COc1cccc(CNc2ncc(-c3nccn3C)c(-c3ccco3)n2)c1 12087743 OLUBLQTUGQQMTC-UHFFFAOYSA-N 361.405 3.758 0 40 FHAB Cc1cc(C(=O)N2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)cs1 12188779 CRGLHQJWXMPKMX-CQSZACIVSA-N 354.435 3.521 0 40 FHAB Cc1cc2occ(CC(=O)NCc3noc(-c4ccccc4)n3)c2cc1C 12203189 SYJOJZBKBPNXDN-UHFFFAOYSA-N 361.401 3.959 0 40 FHAB O=C1COc2cc(C(=O)N[C@H](c3ccccc3)c3cccs3)ccc2N1 12270294 PJADTXWTCUNYTF-LJQANCHMSA-N 364.426 3.598 0 40 FHAB CCCCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 12541677 GWTRVVMQHVZFTJ-UHFFFAOYSA-N 360.479 3.750 0 40 FHAB CCn1c(CNC(=O)c2c(-c3ccccc3)noc2C)nc2ccccc21 12548197 QQTMVRRFWMSCJX-UHFFFAOYSA-N 360.417 3.950 0 40 FHAB Cc1ccc(-n2cnnc2SCC(=O)N2[C@@H](C)CCC[C@H]2C)c(C)c1 12652155 LBNLEOASFNVOBQ-IYBDPMFKSA-N 358.511 3.766 0 40 FHAB O=C1C[C@H](C(=O)N2CCCc3ccccc32)CN1c1ccccc1Cl 12890788 HGEXKWFHRMXMAV-HNNXBMFYSA-N 354.837 3.672 0 40 FHAB O=C(NCCc1ccc2c(c1)OCO2)c1ccccc1C(=O)c1ccccc1 12915881 GSTSSFJZRKARBN-UHFFFAOYSA-N 373.408 3.619 0 40 FHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCCOC1CCCCC1 12919587 QQUNUIYVRWDKDK-UHFFFAOYSA-N 358.486 3.790 0 40 FHAB CC(C)C(=O)Nc1cccc(CNC(=O)c2cnc(Cl)c(Cl)c2)c1 13015069 AAQIBUIQZCMLFP-UHFFFAOYSA-N 366.248 3.913 0 40 FHAB COc1ccc(NC(=O)COc2ccc(C(=O)O)cc2Cl)cc1Cl 13084826 LHFOCKDVKZKLEN-UHFFFAOYSA-N 370.188 3.718 0 40 FHAB O=S(=O)(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1 13631906 SHNYVAWQSCCYEP-UHFFFAOYSA-N 371.433 3.883 0 40 FHAB Cc1ccccc1CSc1nc2nc3c(cn2n1)C(=O)CC(C)(C)C3 13634215 IFRHBJHMVBTWCS-UHFFFAOYSA-N 352.463 3.880 0 40 FHAB C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)NC(C)(C)C 14119911 YBFGKHUMURQKHH-SECBINFHSA-N 354.476 3.816 0 40 FHAB Cc1sc2ncnc(N3CCC(C(=O)N4CCCCC4)CC3)c2c1C 14163153 PNIPDRONDYJQOD-UHFFFAOYSA-N 358.511 3.537 0 40 FHAB COc1ccc(-c2nc(CC(=O)N3CCC(C)CC3)cs2)cc1OC 14241204 IUQSULFCVGDJKC-UHFFFAOYSA-N 360.479 3.628 0 40 FHAB FC(F)(F)c1cnc(NCc2ccc(N3CCOCC3)nc2)c(Cl)c1 14306759 GSXVBLPMMZJKNV-UHFFFAOYSA-N 372.778 3.598 0 40 FHAB Cc1ccc(C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 14630026 MNLAVBKMZAFXGB-UHFFFAOYSA-N 370.321 3.653 0 40 FHAB CCC(=O)N1CCCc2cc(NC(=O)CCc3ccc(OC)cc3)ccc21 17248033 YSOCTVSNENTLRF-UHFFFAOYSA-N 366.461 3.956 0 40 FHAB CCOc1cc2c(cc1NS(=O)(=O)/C=C/c1ccccc1)O[C@@H](C)C2 17520590 XKBNCYQKGGAFQM-HBWSCVEGSA-N 359.447 3.821 0 40 FHAB COc1cccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(C)=O)c1 19019517 SZUOUVJUHNQAHJ-ACRUOGEOSA-N 370.518 3.593 0 40 FHAB O=C1NC[C@]2(CCCN(Cc3ccc(Cl)s3)C2)Oc2ccccc21 19374804 WPDYQFVYZGXDIE-SFHVURJKSA-N 362.882 3.559 0 40 FHAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)C3CC3)cc2N1 19451246 YPVHPMMCUFVVCG-NWANDNLSSA-N 370.419 3.900 0 40 FHAB CN(CCOc1ccccc1)Cc1c([C@@H]2CCCO2)[nH]c2ncccc12 19586164 BYLRTVUTQVZYNY-IBGZPJMESA-N 351.450 3.925 0 40 FHAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)Cc1c(C)[nH]c2c(C)ccc(C)c12 19716882 HTMVANWIDSZMIE-CQSZACIVSA-N 366.509 3.733 0 40 FHAB CC(C)C[C@@H](C(=O)Nc1ccc(C2CCCC2)cc1)N1CCN(C)CC1 19802269 PTDIHRDFLWQSHR-NRFANRHFSA-N 357.542 3.945 0 40 FHAB COc1cc2c(cc1NC(=O)CN1C[C@@H](C)O[C@H](C)C1)oc1ccccc12 21821922 DFCVFLLJQOCRLA-ZIAGYGMSSA-N 368.433 3.642 0 40 FHAB O=C(Nc1ccccc1I)c1cc(F)ccc1F 22561542 CNWNGRGTTOHBTF-UHFFFAOYSA-N 359.113 3.822 0 40 FHAB Brc1ccc(CN2CCN(C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 22860876 RYOUYIJYULFNQK-KSZLIROESA-N 361.327 3.779 0 40 FHAB O=C(CCc1nc2ccccc2s1)OCc1noc(-c2ccco2)n1 24044456 OYLKCRQXBCVXJK-UHFFFAOYSA-N 355.375 3.615 0 40 FHAB O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc(F)c(F)c1 24720165 YMRDKFDRSGPLCN-UHFFFAOYSA-N 356.328 3.740 0 40 FHAB Cc1cc(C)c2c(C)c(C(=O)Nc3cccc(S(C)(=O)=O)c3)sc2n1 24980449 YWURGJUMJJZQQT-UHFFFAOYSA-N 374.487 3.877 0 40 FHAB O=C(Nc1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1)c1cccs1 25209931 KFAOUBUKXMLSPY-LSDHHAIUSA-N 370.430 3.606 0 40 FHAB Cc1ccc(OCCCN(Cc2ccc(C(N)=O)cc2)C2CC2)cc1C 25948255 LUFANOUQJMGLFG-UHFFFAOYSA-N 352.478 3.836 0 40 FHAB COc1ccc(Cn2nccc2NC(=O)COc2ccccc2Cl)cc1 28292708 QVFJKPVXLUNMSD-UHFFFAOYSA-N 371.824 3.611 0 40 FHAB O=c1ccc(C(F)(F)F)cn1Cc1noc(-c2ccc(Cl)cc2)n1 31625511 CQWWPPLFXAYBPT-UHFFFAOYSA-N 355.703 3.619 0 40 FHAB COC(=O)c1ccc(NC(=O)c2ccc(OCc3cccnc3)cc2)cc1 32034835 QCGUPGOOUJDYOU-UHFFFAOYSA-N 362.385 3.700 0 40 FHAB O=C1CCCc2cc(C(=O)CSc3ncnc4ccsc34)ccc2N1 32330437 ISUIBYRSYXEOII-UHFFFAOYSA-N 369.471 3.941 0 40 FHAB O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN1C(=O)c1cccnc1 33133161 BBPBBYDKRMPKNB-OAHLLOKOSA-N 364.232 3.632 0 40 FHAB Cc1ccc2c(NC(=O)[C@H](c3ccccc3)N3CCC(C)CC3)n[nH]c2n1 35322727 OEDPGAHSXLJQJI-SFHVURJKSA-N 363.465 3.678 0 40 FHAB COc1cc(NC(=O)N2CC[C@H](c3nc4ccccc4o3)C2)cc(OC)c1 35442851 BZAJAXFXGBUHCM-ZDUSSCGKSA-N 367.405 3.866 0 40 FHAB biogenic,in-vitro CC(C)NC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 40088421 QZVVVVFPUANOTI-NSHDSACASA-N 358.269 3.762 0 40 FHAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cn1 41095686 VFAMPMXHFBYWAP-UHFFFAOYSA-N 354.859 3.976 0 40 FHAB CCOC(=O)C1CCN(C(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)CC1 42142475 FPIIQENXOJJEMN-INIZCTEOSA-N 361.482 3.687 0 40 FHAB Cc1cc(N2CCN(C(=O)Nc3c(C)cccc3C)CC2)nc(C(C)C)n1 43358175 SVMUTCZKUSXRMF-UHFFFAOYSA-N 367.497 3.879 0 40 FHAB CC(C)c1ccc(CCC(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1 45058736 FIBPUUOXBHTWAW-UHFFFAOYSA-N 366.509 3.528 0 40 FHAB Cc1ccc2c(CN3CCN(c4ccc(F)cc4)CC3)cc(=O)oc2c1C 54105876 MMVJFRFAXJERLV-UHFFFAOYSA-N 366.436 3.871 0 40 FHAB biogenic CCc1ccc([C@@H](N[C@H](C)C(=O)Nc2c(C)nn(C)c2C)C(C)C)cc1 57838684 RSKSEBOYFLXSNO-BEFAXECRSA-N 356.514 3.913 0 40 FHAB O=C(Nc1nncs1)c1ccccc1SCc1cn2ccccc2n1 58227651 HZNAFIQMJRLBSV-UHFFFAOYSA-N 367.459 3.730 0 40 FHAB COc1ccc(C2(NC(=O)Cc3noc4ccccc34)CCCC2)cc1 64314461 HVDFIKYSZYOZJY-UHFFFAOYSA-N 350.418 3.965 0 40 FHAB C[C@H](C(=O)NC1CCCCCC1)n1c(S)nnc1-c1cccs1 64334526 RTBUVABKWFSGEP-LLVKDONJSA-N 350.513 3.695 0 40 FHAB CCOc1ccc(-c2cc3c(=O)n(Cc4ccc(C)cc4)ccn3n2)cc1 64977465 SQIJHFNKHQPNTJ-UHFFFAOYSA-N 359.429 3.918 0 40 FHAB O=C(Nc1nnc(-c2ccccn2)[nH]1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 68757958 VJIXLWOWJDEFNS-WDEREUQCSA-N 374.231 3.916 0 40 FHAB N[C@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1cccc(Cl)c1 72227309 GPKMRNYMPWWSLH-KGLIPLIRSA-N 351.631 3.518 0 40 FHAB c1ccc2c(c1)OC[C@H](c1nnc(-c3cnc4onc(C5CC5)c4c3)o1)O2 72274990 JSRHBCFWZPMPNY-OAHLLOKOSA-N 362.345 3.663 0 40 FHAB COc1ccc2c(ccn2CC(=O)N2CCc3[nH]c4ccccc4c3C2)c1 72324790 UDDARRMWQIOEMM-UHFFFAOYSA-N 359.429 3.716 0 40 FHAB biogenic CC(=O)c1cn(CC(=O)N2CCc3[nH]c4ccccc4c3C2)c2ccccc12 72324792 XSPYCQBOHXVTBB-UHFFFAOYSA-N 371.440 3.910 0 40 FHAB biogenic O=C(COC(=O)c1nccc2ccccc12)NCc1ccc(F)c(Cl)c1 72330307 RWJDQMZTWPRHDN-UHFFFAOYSA-N 372.783 3.501 0 40 FHAB Fc1ccc(CN2CCC[C@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 72377422 HFLVOVGDAWMXSC-INIZCTEOSA-N 364.428 3.529 0 40 FHAB Cc1nn(C)cc1CN1CCC[C@H]1c1cncc(Oc2ccc(F)cc2)n1 72384042 YDYPOBABOKEVJU-IBGZPJMESA-N 367.428 3.787 0 40 FHAB C[C@@H]1Sc2ccccc2N(S(=O)(=O)c2c[nH]c3ncccc23)[C@@H]1C 79105631 GWSDNYIGHBQIQW-NEPJUHHUSA-N 359.476 3.641 0 40 FHAB COc1ccc(C(F)(F)C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1 89904732 PKEZUPPGSRXBSS-LBPRGKRZSA-N 365.376 3.682 0 40 FHAB CN(CCNC(=O)N(C)C)Cc1ccc(-c2cccc(Cl)c2)s1 95467775 GZZQRYAMDNJSSD-UHFFFAOYSA-N 351.903 3.772 0 40 FHAB COCCOc1cccc(C(=O)Nc2cc(C)nn2-c2ccc(C)cc2)c1 95947553 GKKYMHZVIJNMSP-UHFFFAOYSA-N 365.433 3.767 0 40 FHAB C[C@@H]1CCCC[C@@H]1OCCNCc1c(C(F)(F)F)nn(C)c1Cl 96006931 RDSJKCWLSCPGKM-PWSUYJOCSA-N 353.816 3.777 0 40 FHAB O=C(Nc1ccccc1Cc1nc(C2CC2)no1)c1cc(C2CC2)on1 96119605 PNYARVNUWLTFNL-UHFFFAOYSA-N 350.378 3.656 0 40 FHAB CC(C)Nc1ncnc2c1c(C(=O)NCCc1ccccc1)c1ccccn12 96146728 WIJFQZVKKODEPV-UHFFFAOYSA-N 373.460 3.675 0 40 FHAB CCSc1nnc2[nH]c3c(c(=O)n12)C1(CCCC1)Cc1ccccc1-3 101154219 RJQBGSFYBFWYRE-UHFFFAOYSA-N 352.463 3.565 0 40 FHAB COC(=O)[C@@]1(C)[C@H]2[C@H]3CCC[C@@H]3[C@@H]3[C@@H]2[C@@H]2[C@@H]1[C@@H]1CC[C@H]4C(=O)[C@@]3(C)[C@H]2[C@@H]41 104294856 LNDZSDRDRJRABD-VWHVGJOQSA-N 354.490 3.565 0 40 FHAB Cc1ccc(-c2csc3ncnc(N4C[C@H](C(N)=O)CC[C@H]4C)c23)cc1 105675193 UTXWMZYAWBERSW-UKRRQHHQSA-N 366.490 3.757 0 40 FHAB CCN1C[C@H](CN(C)C(=O)N[C@H](C)c2cc(C)oc2C)Oc2ccccc21 107345556 PUJRDXCFIRDZER-WBVHZDCISA-N 371.481 3.886 0 40 FHAB COCCOc1ccc(NC(=O)NC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1Cl 107363775 POAJFWCWEAOJBF-GREKMHCPSA-N 350.846 3.531 0 40 FHAB C[C@@H]1CCCN(C(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)C1 188966352 YCFYNVHZPMAWDP-CQSZACIVSA-N 352.881 3.950 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=O)C2(c3ccccc3)CCOCC2)c1 223367291 KSNWNXRRDIRRJQ-UHFFFAOYSA-N 367.445 3.859 0 40 FHAB Cc1cccc(CSCCNC(=S)Nc2ccc3c(c2)OCO3)c1 225337206 VJFCUHGFYYGVNK-UHFFFAOYSA-N 360.504 3.944 0 40 FHAB CC1=NN(c2ccccc2)C(=O)[C@H]1[C@H](C)[C@H]1C(=O)N(c2ccccc2)N=C1C 252370461 XXUNMLVXMWONRB-NJZPDEBBSA-N 374.444 3.700 0 40 FHAB in-vitro O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2CN(Cc3ccco3)C[C@@H]21 306143148 XUOQUMGRIBXSRD-LPHOPBHVSA-N 371.483 3.763 0 40 FHAB COc1cc(C)c(C)cc1S(=O)(=O)NCCCc1cc2ccccc2o1 390828212 AIMNXRUSJRPVNS-UHFFFAOYSA-N 373.474 3.969 0 40 FHAB Cc1cc(C=O)c(C)n1NC(=O)c1cc2cc(Br)ccc2o1 408566192 FBMRLCRPXKTEDU-UHFFFAOYSA-N 361.195 3.810 0 40 FHAB Cc1sc(NC(=O)COc2ccc(C=O)cc2)nc1-c1ccccc1 408599846 MMBLMPRSMZFZNK-UHFFFAOYSA-N 352.415 3.949 0 40 FHAB O=C(NCc1ccccc1)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 408718346 LOYPALFLFRBAKW-UHFFFAOYSA-N 357.624 3.902 0 40 FHAB O=C(COc1ccccc1)NCCSCc1c(F)cccc1Cl 409023085 IETGZODDGGTFNA-UHFFFAOYSA-N 353.846 3.908 0 40 FHAB Cc1ccc(=Nc2cccc(C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c2)[nH]n1 522984685 GXKFBAYORMCQCN-FPXQBCRKSA-N 350.466 3.505 0 40 FHAB O=C(c1cc(O)nc(C2CC2)c1)N1CCCN(c2ccccc2Cl)CC1 563020435 KUTHFGFRFKQNQF-UHFFFAOYSA-N 371.868 3.671 0 40 FHAB O=C(c1cccc2ccc(O)nc12)N1CC[C@@]2(CCc3ccccc3O2)C1 583473113 XCBXFENXDPHQEU-QFIPXVFZSA-N 360.413 3.550 0 40 FHAB c1ccc(-c2cnc(Nc3cccc(C[C@H]4CNCCOC4)n3)s2)cc1 585263395 YGRYEPULEZWLFG-HNNXBMFYSA-N 366.490 3.727 0 40 FHAB CSC[C@@H](C)NC(=O)Nc1ccc(Br)c2ncccc12 597056261 CKFFWXPWJXWTNP-SECBINFHSA-N 354.273 3.870 0 40 FHAB COc1cc(C)c([C@@H](C)NC[C@@H]2CCCO[C@H]2c2cc[nH]n2)cc1OC 643927295 ZPBBSGIVTPSAEI-QEEYODRMSA-N 359.470 3.554 0 40 FHAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC2(CC1)CC2(F)F 651858833 FDOAWAUQHHXRQZ-UHFFFAOYSA-N 355.328 3.515 0 40 FHAB Cc1cccc(Oc2ccccc2NC(=O)C2=CS(=O)(=O)CCC2)c1 1135527142 SQIFMPIZJPSJBW-UHFFFAOYSA-N 357.431 3.818 0 40 FHAB CC(=O)Nc1ccc(CN2CCC[C@@H](COc3ccnc(C)c3)C2)cc1 1776008645 LSECXZVGKJADGD-LJQANCHMSA-N 353.466 3.639 0 40 FHAB Cc1cc(N2CCC(COc3ccncc3Cl)CC2)n2nc(C)cc2n1 1889149285 AGAIARBTGCZSEH-UHFFFAOYSA-N 371.872 3.690 0 40 FHAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(Cl)c2)NC(=O)N1 862568 DSFFQJZABMGWQJ-QGZVFWFLSA-N 355.825 3.915 0 40 FHAB O=C([C@H]1CCCN(Cc2ccccc2Br)C1)N1CCCCC1 1287672 SHZMPDKQARDFJQ-INIZCTEOSA-N 365.315 3.674 0 40 FHAB COc1cccc(OCc2nc(-c3ccc(Br)o3)no2)c1 1426783 OTWNAENPKAWSNB-UHFFFAOYSA-N 351.156 3.680 0 40 FHAB CC(=O)OCc1c(COC(C)=O)c(-c2ccc(Cl)cc2)n2c1CCC2 1557874 CTCSNPLKHGGMKP-UHFFFAOYSA-N 361.825 3.881 0 40 FHAB CC(C)COc1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1 2388067 SJJJRHYKRTZYQP-UHFFFAOYSA-N 367.493 3.726 0 40 FHAB C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1ccc(C(F)(F)F)cc1 2637220 WWXSWXJYXIKJJL-SNVBAGLBSA-N 366.368 3.867 0 40 FHAB O=C(Nc1cccc(Oc2ccccc2)c1)c1n[nH]c(=O)c2ccccc12 2663008 TVWVKOSANZINMN-UHFFFAOYSA-N 357.369 3.968 0 40 FHAB COc1ccc(CCNC(=O)/C=C/c2c(F)cccc2Cl)cc1OC 2742027 SFXQZBOQVZOCMO-VQHVLOKHSA-N 363.816 3.868 0 40 FHAB CC(C)(Cc1c(C(=O)O)cnn1-c1ccccc1)C(=O)Nc1ccccc1 3169092 HXTUBDQAMZWLGG-UHFFFAOYSA-N 363.417 3.778 0 40 FHAB O=C(COC(=O)c1nc(Cl)ccc1Cl)Nc1cccc(Cl)c1 3367498 WKQWTYQVTPBDCL-UHFFFAOYSA-N 359.596 3.837 0 40 FHAB O=C(COC(=O)c1ccccc1)Nc1ncc(C(F)(F)F)cc1Cl 3525409 WTOMYIPNGXFFJP-UHFFFAOYSA-N 358.703 3.549 0 40 FHAB Cc1ccc(C(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc23)cc1 4130153 TXGMZCUGGMCPHA-UHFFFAOYSA-N 352.394 3.929 0 40 FHAB Fc1ccc(CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1 4313074 ODSAIMOHNHBLEQ-UHFFFAOYSA-N 367.409 3.808 0 40 FHAB Cc1cc(C)cc(NC(=O)CN2CCC(c3nc4ccccc4[nH]3)CC2)c1 4315070 PUSTVNDUQKXDSU-UHFFFAOYSA-N 362.477 3.998 0 40 FHAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)c(Cl)c2)n2ncnc2N1 4342120 BWIFPQXRNSGBCO-CQSZACIVSA-N 367.236 3.825 0 40 FHAB COc1cccc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)c1 4575150 RLKAPIITTLLMJA-UHFFFAOYSA-N 371.245 3.834 0 40 FHAB COc1ccc(C(=S)N2CCN(C(=S)c3ccc(F)cc3)CC2)cc1 4942306 BUUUQHVDKWUGRF-UHFFFAOYSA-N 374.506 3.503 0 40 FHAB Cc1cc(C)cc(CSc2ccc(S(=O)(=O)N3CCCC3)cn2)c1 5637541 UYRVDTWNXBXGOF-UHFFFAOYSA-N 362.520 3.775 0 40 FHAB CCCCC[C@@](C)(O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)O 5978232 CTXLUMAOXBULOZ-YRAMDJPNSA-N 366.498 3.641 0 40 FHAB Cc1ccc(C(=O)NCC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 6273453 ZWRSONVSUDKTAC-UHFFFAOYSA-N 350.462 3.586 0 40 FHAB Cc1cc(C(=O)OCC(=O)c2cc(C)n(Cc3cccs3)c2C)on1 6852141 CDEBNSKWNLLDQM-UHFFFAOYSA-N 358.419 3.551 0 40 FHAB Cc1ccc(C(=O)NCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1C 7141170 VQHVTSHYDBMFIH-DNBYOKIBSA-N 368.521 3.754 0 40 FHAB O=C(OCc1cc(=O)oc2cc(O)ccc12)c1nc(Cl)ccc1Cl 7990461 GKVDDPDKSQBZHD-UHFFFAOYSA-N 366.156 3.557 0 40 FHAB O=c1cc(-c2ccc3ccccc3c2)[nH]c2[nH]n(-c3ccc(F)cc3)c(=O)c12 8021169 ZJTBSTOBVFLORE-UHFFFAOYSA-N 371.371 3.966 0 40 FHAB O=C(NCc1cn2ccccc2n1)c1ccccc1SC[C@@H]1CCCO1 8279283 NACPOSKSZZILDR-INIZCTEOSA-N 367.474 3.535 0 40 FHAB Clc1ccccc1COc1nc2ccccc2nc1N1CCOCC1 8515538 AKMBQZMBXHWBHC-UHFFFAOYSA-N 355.825 3.699 0 40 FHAB COc1ccccc1NC(=O)CSc1nc(-c2ccccc2Cl)n[nH]1 9198142 VYUVHAAJHFRSAV-UHFFFAOYSA-N 374.853 3.865 0 40 FHAB Cn1cnc2c(sc3nc(-c4ccco4)c4c(c32)CC(C)(C)OC4)c1=O 9422593 UDUXRPXVXXEYSU-UHFFFAOYSA-N 367.430 3.655 0 40 FHAB Cc1cc(C)cc(-n2ncc3c(N(CCO)c4ccccc4)ncnc32)c1 9573694 ZRXKMJXYCZPZAI-UHFFFAOYSA-N 359.433 3.563 0 40 FHAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1cccc2cccnc12 11282365 BHSZWALKZFBRQP-JOCHJYFZSA-N 357.413 3.518 0 40 FHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)C(C)C)CC3)cc2N1 12181191 AOPDTVZQNONGIL-UKRRQHHQSA-N 372.435 3.943 0 40 FHAB CC(=O)c1sc(NC(=O)C2=C(c3ccccc3)SCCO2)nc1C 12408444 XDTHRCBPNZXASM-UHFFFAOYSA-N 360.460 3.725 0 40 FHAB CCCc1ccc([C@@H](Nc2ccc3nnnn3n2)c2cccs2)cc1 12947660 GTDGCFNATSFJAG-GOSISDBHSA-N 350.451 3.735 0 40 FHAB COc1ccccc1NC(=O)COc1c(C(=O)O)ccc2ccccc12 13086102 KFEHEXGBHNAGMM-UHFFFAOYSA-N 351.358 3.564 0 40 FHAB Nc1cccc(S[C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)c1 13576133 XLCUESKGZQJTBL-AWEZNQCLSA-N 366.364 3.712 0 40 FHAB Cc1ccc(S(=O)(=O)c2c(C)c(C)n(Cc3ccccc3)c2N)cc1 13736184 UEWZNEHEFVJPAB-UHFFFAOYSA-N 354.475 3.877 0 40 FHAB CCc1cc2c(SCc3nc(-c4cccnc4)no3)ncnc2s1 14093675 VGXOXADNZONEFK-UHFFFAOYSA-N 355.448 3.991 0 40 FHAB Cc1ccc([C@@H](CNC(=O)COc2ccccc2Cl)N2CCCC2)o1 15860241 RKZTYTZACDYRHG-MRXNPFEDSA-N 362.857 3.574 0 40 FHAB OC[C@H]1CCCN(Cc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)C1 16046980 WYMNJKCOXKTMRK-YCRPNKLZSA-N 357.425 3.638 0 40 FHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCc1ccc(C(N)=O)cc1 16544502 PCRPHCQMOFGEBX-UHFFFAOYSA-N 370.405 3.714 0 40 FHAB C[C@@H]1C[C@@H](C)CN(C[C@@H](O)COCCOc2ccc(C(C)(C)C)cc2)C1 17244336 FOXKGUAZRBDKEL-QWFCFKBJSA-N 363.542 3.718 0 40 FHAB COC[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc2c(c1)C[C@@H](C)O2 19234896 FIJRAQICIOKASI-QZTJIDSGSA-N 367.489 3.925 0 40 FHAB O=c1cc([C@H]2CCCCN2Cc2ccc(F)cc2)nc(-c2ccncc2)[nH]1 19334151 PJIMHKNSVWFAGN-LJQANCHMSA-N 364.424 3.698 0 40 FHAB O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1cccc(F)c1)CN2Cc1cccc(F)c1 19712813 GNFSNMFZHAXOJR-VWPQPMDRSA-N 370.443 3.992 0 40 FHAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(N)c1 20344990 LFESPJDKWIVGBP-VIFPVBQESA-N 355.221 3.990 0 40 FHAB CCc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 20487340 OJWNHLNSOLYVPZ-UHFFFAOYSA-N 352.843 3.526 0 40 FHAB CCC[C@H](C(=O)OCc1cc(=O)n2cc(C)ccc2n1)c1ccccc1 21989670 ONOZZYOHRDTFFI-SFHVURJKSA-N 350.418 3.630 0 40 FHAB C[C@H](NC(=O)CCc1nc(-c2cccs2)no1)c1ccc(F)cc1F 22616576 MWPKGSWUTFVQTK-JTQLQIEISA-N 363.389 3.886 0 40 FHAB CCOc1ccccc1NC(=O)COC(=O)CCOc1cc(C)ccc1C 23079043 XDFCNDAWOHUANS-UHFFFAOYSA-N 371.433 3.653 0 40 FHAB C[C@@H](NC(=O)c1ccccc1S(C)(=O)=O)c1ccc(Cl)c(Cl)c1 23689693 JASQVHKAWFORCN-SNVBAGLBSA-N 372.273 3.888 0 40 FHAB O=C(Nc1ccc(F)cc1)N1CCN(Cc2nc3ccccc3s2)CC1 23845480 SJBOBLMAEPBDHN-UHFFFAOYSA-N 370.453 3.785 0 40 FHAB C[C@@H](NC(=O)C[S@](=O)C/C=C/c1ccccc1)c1ccc(F)cc1F 24828902 HOXIDNJOPVDOJF-PZOKILAKSA-N 363.429 3.604 0 40 FHAB C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 31166869 ZICGJBPBLVXOBM-MITUEXOSSA-N 372.505 3.524 0 40 FHAB biogenic,in-vitro O=C(Nc1ccc2c(c1)[C@H](N1CCOCC1)c1ccccc1-2)C(F)(F)F 31614523 BOOBFSOLVRZOTE-QGZVFWFLSA-N 362.351 3.589 0 40 FHAB O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1ccc(F)cc1Cl 32924641 QJUNLEAPEHKQSX-UHFFFAOYSA-N 366.864 3.780 0 40 FHAB Cn1ncc2c(C(=O)NC34CC5CC(CC(C5)C3)C4)cc(C3CC3)nc21 36615038 RWKACQWYJCHITC-UHFFFAOYSA-N 350.466 3.544 0 40 FHAB CCc1nc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)sc1C 40118986 CDDBXWORMGXUAN-UHFFFAOYSA-N 365.886 3.816 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)c(F)c2)c(Cl)c1 40155178 SLHZJEWQQAIPFI-UHFFFAOYSA-N 365.817 3.774 0 40 FHAB CCCCCn1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 40392329 ULRRRRFEZNXXMF-UHFFFAOYSA-N 367.840 3.950 0 40 FHAB COC(=O)c1ccc(CS(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 44948186 PPLRPORTZYPIEH-UHFFFAOYSA-N 374.245 3.722 0 40 FHAB Cc1c([C@@H](C)NC(=O)c2ccc(S(C)(=O)=O)cc2)oc2ccccc12 46649926 XOXFXIVEPNYNAY-CYBMUJFWSA-N 357.431 3.636 0 40 FHAB Cc1cc([C@@H]2CCCN2C(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)no1 48139267 GVGPRNRGPAAIGX-IWEFOYFVSA-N 353.422 3.555 0 40 FHAB Cc1c(C(=O)NCCOc2ccc3ccccc3c2)[nH]c2c1C(=O)CCC2 48263138 NWSSAMKHLYSDOR-UHFFFAOYSA-N 362.429 3.804 0 40 FHAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Nc1ccc(F)cc1F 48324402 YMEONVHESFULDW-LLVKDONJSA-N 368.405 3.593 0 40 FHAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nn2C)cc1N1CCCC1=O 49505390 KTVHRXMICXDPGX-UHFFFAOYSA-N 374.444 3.775 0 40 FHAB O=C(NCCCN1CCCCCC1)c1ccc(Br)cc1F 53271641 PJKQIKHRMVCJNJ-UHFFFAOYSA-N 357.267 3.584 0 40 FHAB CCc1nnsc1C(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1 54674940 YGHWRCUCTCMPCJ-UHFFFAOYSA-N 353.451 3.553 0 40 FHAB CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 57561410 OSNSMKVMMUIUCS-UHFFFAOYSA-N 351.494 3.993 0 40 FHAB O=C(Nc1ccccc1OC1CCCC1)[C@@H]1CCCN(C(=O)C2CC2)C1 58165966 FOGUUALCNOMYDT-MRXNPFEDSA-N 356.466 3.595 0 40 FHAB CC(C)NC(=O)Nc1cccc(C(=O)N(C2CC2)[C@@H](C)c2ccccn2)c1 58264637 OBLALQDYRKFJKY-HNNXBMFYSA-N 366.465 3.977 0 40 FHAB Cc1nc(CN(C)C(=O)NCc2cccc(OCC(F)(F)F)c2)cs1 58290983 HNJKVXCKRFEBNJ-UHFFFAOYSA-N 373.400 3.734 0 40 FHAB Cc1cc(CN2CCCN(C(=O)Nc3cccc(Cl)c3F)CC2)no1 58344590 MIYMUJKWPXFQJX-UHFFFAOYSA-N 366.824 3.515 0 40 FHAB CCOC(=O)C1CCN([C@H](C)C(=O)c2c(C)[nH]c3cc(C)ccc23)CC1 59866374 ZOTSXTWPWNFHMW-OAHLLOKOSA-N 356.466 3.631 0 40 FHAB CC(C)Cc1nc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCCO3)cs1 63575973 ZRRBCSKLFORCRT-ZDUSSCGKSA-N 360.479 3.994 0 40 FHAB Cc1ccccc1C(C)(C)C(=O)N1CCC(NC(=O)c2ccoc2C)CC1 66479558 MABWNQIJCUNXKW-UHFFFAOYSA-N 368.477 3.595 0 40 FHAB CC(C)Oc1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cn1 70037712 RAIBEHAVGCMNHK-HXUWFJFHSA-N 368.433 3.521 0 40 FHAB COc1ccc([C@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1O 71280768 GQYXLAHASBEWOS-CQSZACIVSA-N 371.437 3.910 0 40 FHAB Cc1noc(C)c1COc1ccc([C@@H]2CC(O)=Nc3c2cnn3C)cc1 71283379 CZIXJJDJUIMTBE-HNNXBMFYSA-N 352.394 3.728 0 40 FHAB O=C(c1ccc(NCCCc2ccccc2)cc1Cl)N1CCOCC1 75094135 HDNOYCBLXRNHQG-UHFFFAOYSA-N 358.869 3.857 0 40 FHAB CSCC[C@](C)(O)CNC(=O)C1c2ccccc2Oc2ccccc21 75157524 RRAPJPBGNBDNCW-FQEVSTJZSA-N 357.475 3.545 0 40 FHAB COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1cccc2cc[nH]c12 79830088 NPAVIHPJDOPHEL-GOSISDBHSA-N 364.445 3.998 0 40 FHAB CC(C)[C@H](Sc1nc(-c2ccccc2)cn1N)C(=O)N1CCCC[C@@H]1C 84692153 PSRZWTGQPIFNEP-YJBOKZPZSA-N 372.538 3.782 0 40 FHAB COc1ccccc1[C@H](N[C@@H]1CCCc2[nH]c(=O)ccc21)c1ccco1 90534822 XAMXHYUJZVWMNK-UTKZUKDTSA-N 350.418 3.733 0 40 FHAB COC[C@H](N[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1)C1CC1 95432520 WMMLBNKOSFQWRJ-PZJWPPBQSA-N 368.477 3.698 0 40 FHAB C[C@@H](CNC(=O)COc1ccc(Oc2ccccn2)cc1)c1nccs1 96014080 JIRKDDOKBVIBEC-AWEZNQCLSA-N 369.446 3.629 0 40 FHAB c1cc(COC[C@@]23CCCO[C@@H]2CCN(Cc2ccsc2)C3)ccn1 96040174 ZUGYZQHBLMXGKS-UXHICEINSA-N 358.507 3.731 0 40 FHAB Fc1ccc(CN2CCOC[C@@]3(CCN(Cc4cccs4)C3)C2)cc1 96062402 WQPRAKNFAVDELK-HXUWFJFHSA-N 360.498 3.612 0 40 FHAB O=C(NCC1CC1)c1cc(-c2ccn(-c3ccccc3)n2)n2ccccc12 96154768 VDYSWYRNOHYHJO-UHFFFAOYSA-N 356.429 3.932 0 40 FHAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)c3ccccc3F)CC2)C1(C)C 97135863 OUVBSWOXBSIONV-IEBWSBKVSA-N 372.484 3.739 0 40 FHAB O=C1C[C@@]2(CC[C@@H]3[C@H](C(=O)NCc4ccccc4F)[C@H]32)Oc2ccccc21 100124394 GXBAPDJCFYVWNO-YHQLXQCYSA-N 365.404 3.502 0 40 FHAB CC(C)(C)c1csc(CCNC(=O)CC[C@H]2C(=O)Nc3ccccc32)n1 100778573 XBPLWJJMUVNSJQ-CQSZACIVSA-N 371.506 3.615 0 40 FHAB N=c1c2c(ncn1CCCO)Oc1c(ccc3ccccc13)[C@@H]2c1ccco1 101351446 AATXDIQVGANLRM-GOSISDBHSA-N 373.412 3.777 0 40 FHAB Cc1ccc(CN2CCC3(CC2)C[C@H](Nc2ncccn2)CCO3)cc1C 108535658 BEHRMKSGQJKHDC-HXUWFJFHSA-N 366.509 3.719 0 40 FHAB Cc1cc(Cl)ccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1 222471765 QTLRPWPKNKXHBB-UHFFFAOYSA-N 366.870 3.605 0 40 FHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)CCc1ccc(F)cc1 222680243 LTSSIFSRPSNOPF-UHFFFAOYSA-N 359.426 3.919 0 40 FHAB Cc1ccc(CNC(=S)Nc2ccc(N3C[C@H](C)C[C@@H](C)C3)nc2)o1 223907014 NENBNEUFADGVBI-ZIAGYGMSSA-N 358.511 3.952 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 224216129 FJRWXKYTEOLVJX-OAQYLSRUSA-N 366.505 3.789 0 40 FHAB COc1ccc(OCCNC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 224288785 IEAAXZCJXDEJMQ-INIZCTEOSA-N 365.429 3.811 0 40 FHAB CSc1ccc(S(=O)(=O)N(C)c2cccc(Br)c2)cc1 224975120 MMBJBGBKWTUQMJ-UHFFFAOYSA-N 372.309 3.996 0 40 FHAB Nc1nc2c(Br)cc(NC(=O)c3cccs3)cc2s1 226311126 BUZTUNLBZZTIMP-UHFFFAOYSA-N 354.254 3.955 0 40 FHAB O=C(O)/C=C/c1ccc(Cl)c(NC(=S)NC(=O)C2CCCCC2)c1 226356885 QAYHDAFDNBCLRT-VQHVLOKHSA-N 366.870 3.831 0 40 FHAB CC(C)(C)C(=O)N1CCC[C@H]1c1nccnc1-c1cccc(C(=O)O)c1 257253638 JZROCNRBJLKMFQ-HNNXBMFYSA-N 353.422 3.551 0 40 FHAB COc1ccc([C@@H]2Cn3ccnc3CN2C(=O)c2sccc2C)cc1 257303997 SJRCRSHPNCRHPJ-INIZCTEOSA-N 353.447 3.659 0 40 FHAB Cc1cccc(Nc2cc([C@@H]3CCCCN3Cc3c[nH]cn3)nc(C)n2)n1 257345027 ZZQAVPVCTYNHDQ-SFHVURJKSA-N 363.469 3.682 0 40 FHAB CCOc1cc(CO)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 408552107 OIMWFMVXOYDYOY-UHFFFAOYSA-N 370.232 3.902 0 40 FHAB O=C(NCc1ccccc1)c1cc(I)ccc1Cl 408619950 DTFUNIWMEJESBF-UHFFFAOYSA-N 371.605 3.875 0 40 FHAB Cc1ccc(C2=N/C(=C/c3ccncc3)C(=O)N2c2ccc(O)cc2)cc1 408843889 NYZJCYBKTSQHEI-XSFVSMFZSA-N 355.397 3.930 0 40 FHAB O=S(=O)(Cc1nc([C@@H]2C[C@H]2c2ccccc2)no1)c1ccc(Cl)cc1 511976436 HFPLIRFZYYSLTG-JKSUJKDBSA-N 374.849 3.968 0 40 FHAB CC(C)Cn1ncc(N=c2ccc3nnc(-c4ccccc4)n3[nH]2)c1C1CC1 563475339 ZNYREQVKZFVSSF-UHFFFAOYSA-N 373.464 3.687 0 40 FHAB CCc1ccc([C@H]2CCCN(C(=O)c3cc(C)nc4c3cnn4C)C2)cc1 585082164 TZNNNPSPYRQDFH-SFHVURJKSA-N 362.477 3.859 0 40 FHAB CCOc1ccc(-c2noc(CN(CC)[C@@H]3CCOC(C)(C)C3)n2)cc1 585084883 YYRAAASLDGDDJP-MRXNPFEDSA-N 359.470 3.915 0 40 FHAB C[C@H]1c2sccc2CCN1C(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1 1176441020 MZTJHUPLWYHLLZ-GRTSSRMGSA-N 364.511 3.839 0 40 FHAB Cc1ccccc1CN1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 1615121495 OFPDKUSPNUBZQP-UHFFFAOYSA-N 368.452 3.532 0 40 FHAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2Cc2ccccc2)[C@@H]1CNC(=O)CC(C)(C)C 1775964225 XMUYRZXKUVYZBM-GDAAHCPNSA-N 356.510 3.612 0 40 FHAB biogenic,in-vitro Cc1csc(C(=O)N2CC[C@@H](COc3ccc(C(C)(C)C)nn3)C2)c1 1888853799 SZBWWGHPKYNOST-CQSZACIVSA-N 359.495 3.685 0 40 FHAB Cn1nccc1-c1ccc(CNC(=O)NCc2cccc3ccccc23)o1 1889008723 XSVVVAQWRWMPJZ-UHFFFAOYSA-N 360.417 3.833 0 40 FHAB C[C@]1(C(=O)OCc2cc(Cl)c3c(c2)OCCO3)CC1(Cl)Cl 22531551 AIHXBWBMTAZVLM-CYBMUJFWSA-N 351.613 3.738 0 40 FHAB O=C(NCc1cccc(OCc2ccccn2)c1)c1c(F)cccc1F 46924202 WFQKVYFDBQICSU-UHFFFAOYSA-N 354.356 3.869 0 40 FHAB C[C@H]1Cc2ccccc2N1CCNC(=O)c1sccc1OC(F)F 78500615 SPZZUPXGDJVRGX-NSHDSACASA-N 352.406 3.531 0 40 FHAB CCN(C(=O)c1ccc(OC(F)F)cc1)[C@@H]1CCN(c2ccccc2)C1=O 78806103 ZPIZJPJMKNMJPS-QGZVFWFLSA-N 374.387 3.556 0 40 FHAB O=C(CCn1c(=O)oc2ccccc21)Nc1cccc(Cl)c1Cl 22874346 KEPVYBZORKUOLZ-UHFFFAOYSA-N 351.189 3.930 0 40 FHAB Cn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(O)cc1 4130211 ZTNMVWDIKURZQD-UHFFFAOYSA-N 374.853 3.572 0 40 FHAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2O)o1 4867119 FSPYXDAFKKCIPL-UHFFFAOYSA-N 355.419 3.790 0 40 FHAB COc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(C)cc2)cc1 4994072 BLFIPZVBOASUFB-UHFFFAOYSA-N 368.462 3.624 0 40 FHAB O=C(COC(=O)c1ccccc1)Nc1ccccc1C(=O)c1ccccc1 6065542 GPSCTOOTXKDQER-UHFFFAOYSA-N 359.381 3.713 0 40 FHAB COc1ccc(NCC(=O)Nc2ccc(F)cc2F)cc1OC(F)F 23902526 LNWOZVPOACFNDP-UHFFFAOYSA-N 358.291 3.625 0 40 FHAB O=C1c2ccccc2N[C@H](c2ccc(O)c(Br)c2)N1C1CC1 24034716 CDFOGOCODPCASM-INIZCTEOSA-N 359.223 3.884 0 40 FHAB Cc1ccc(S(=O)(=O)NCCSCc2ccccc2F)cc1C 7688854 ZXHSAJTVTUMALD-UHFFFAOYSA-N 353.484 3.654 0 40 FHAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@@H]1Cc2ccccc2O1 7957939 QXZFEMDGONKAKN-IBGZPJMESA-N 374.444 3.614 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CCCC[C@H]3C)CC2)cc1Cl 57698453 GIUIVAMVPPCYOA-CRAIPNDOSA-N 370.946 3.533 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(-n2cccn2)cc1 24587039 IDIQMRZPSFCSRV-UHFFFAOYSA-N 371.444 3.986 0 40 FHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2C)c(C)c1 8414484 KCJJQPZLCQSEHL-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB CC[C@H](Sc1nccn1Cc1ccccc1)C(=O)Nc1cc(C)on1 12520102 RQYVBCMOYJNGHE-HNNXBMFYSA-N 356.451 3.737 0 40 FHAB Cn1cc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)c2ccccc21 12555249 VVVKDBPZQIFPSH-UHFFFAOYSA-N 373.909 3.851 0 40 FHAB CCc1sc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)cc1C 55553585 WNXUJOLLYPLJOT-UHFFFAOYSA-N 371.506 3.960 0 40 FHAB CCOc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 25106835 GAIWYKHTRCENNQ-SGTLLEGYSA-N 374.820 3.857 0 40 FHAB CCCCNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 26985654 FTRKMVBKNUXUTJ-UHFFFAOYSA-N 357.281 3.762 0 40 FHAB COc1cc(/C=C/C(=O)O)ccc1OCc1cn2cc(Cl)ccc2n1 12534927 GRLOKICVBLYGEC-XVNBXDOJSA-N 358.781 3.673 0 40 FHAB CN1CC[C@H](NC(=O)[C@H]2Cc3ccccc3S2)[C@H]1c1ccc(F)c(F)c1 107544232 URZWFIYWJNWTAQ-QXAKKESOSA-N 374.456 3.543 0 40 FHAB C[C@@H](NC(=O)COC(=O)c1ccccc1C(F)(F)F)c1ccccc1 3263622 WEESVYJRBWQKCV-GFCCVEGCSA-N 351.324 3.740 0 40 FHAB CCOC(=O)c1ccc(S(=O)(=O)N(C2CCCC2)C2CCCC2)cc1 58209965 YWVUONRAIPVHNL-UHFFFAOYSA-N 365.495 3.739 0 40 FHAB CSc1ncc(Br)c(C(=O)Nc2cc(C)ccc2C)n1 27741882 JCPQXBVWXJSJOU-UHFFFAOYSA-N 352.257 3.830 0 40 FHAB Cc1csc(CNC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)n1 48250058 ZJMPYGVFGJMOCU-UHFFFAOYSA-N 363.389 3.634 0 40 FHAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NC(C3CC3)C3CC3)c12 48287526 IHCKCIZXZYKBTK-UHFFFAOYSA-N 360.461 3.862 0 40 FHAB C[C@@H](c1ccc(F)cc1)N(C)CC(=O)Nc1ccc(N2CCCC2=O)cc1 12789473 ZECKBHVOBYAKDO-HNNXBMFYSA-N 369.440 3.584 0 40 FHAB C[C@H](OC(=O)c1ccc(N2CCNC2=O)cc1)c1cnc2ccccc2c1 58376973 PRVXHVUTBDINRK-AWEZNQCLSA-N 361.401 3.682 0 40 FHAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(F)cc2)cc1 22533911 CACOJPZBQRQBBA-GOSISDBHSA-N 351.443 3.900 0 40 FHAB O=C(OCC(=O)c1ccc(Cl)s1)c1cncc(Br)c1 3315749 PAEYEODHPOYUFM-UHFFFAOYSA-N 360.616 3.599 0 40 FHAB Fc1cccc(Br)c1[C@H]1C[C@@H](c2cccnc2)Nc2ncnn21 2500127 QTNPNNZEDCPQJI-UONOGXRCSA-N 374.217 3.721 0 40 FHAB COC(=O)c1ccc2c(c1)[C@@H]1C[C@@](C)(O2)N(c2ccc(C)cc2)C(=O)N1 101085040 UZCUMINIHMVENP-OXJNMPFZSA-N 352.390 3.551 0 40 FHAB O=C1OCCN1CCc1nc(-c2sccc2Br)cs1 48640395 BTCJRHHJLFQGPA-UHFFFAOYSA-N 359.270 3.629 0 40 FHAB COC(=O)c1sccc1NC(=O)Cc1csc(-c2cccs2)n1 9049691 PRMXIXAVBSFTQV-UHFFFAOYSA-N 364.473 3.901 0 40 FHAB O=C1C[C@@H](C(=O)N[C@@H]2CCCc3ccc(F)cc32)c2ccc(F)cc2N1 93063245 KHTLLYHTBRHANX-IAGOWNOFSA-N 356.372 3.584 0 40 FHAB Cc1csc(CNC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)n1 24683631 DMVJWQMIXNANGC-UHFFFAOYSA-N 358.442 3.830 0 40 FHAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)N[C@@H]1CCCc2ccccc21 26565115 IAAQLLYEYWNFMN-GOSISDBHSA-N 365.429 3.615 0 40 FHAB CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)cc1 13843361 VYCILRLVISRGDZ-UHFFFAOYSA-N 354.406 3.551 0 40 FHAB COc1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1OC 14047690 VNEZKCXIKAJLHQ-UHFFFAOYSA-N 371.824 3.677 0 40 FHAB C[C@@H]1CCC[C@H](n2c(S[C@@H]3CCOC3=O)nc3ccccc3c2=O)[C@@H]1C 5366263 QLTGJRPUQVSFFO-UTJXIGIESA-N 372.490 3.801 0 40 FHAB Cc1cc(NC(=O)c2ccc(F)cc2F)n(-c2nc3ccccc3[nH]2)n1 5343702 UCTZHWMDGWWFJR-UHFFFAOYSA-N 353.332 3.588 0 40 FHAB Cc1cccc(OC(F)F)c1NC(=O)NCc1ccnc(NC2CC2)c1 96013204 NDOHFMDDLGRLSK-UHFFFAOYSA-N 362.380 3.887 0 40 FHAB COc1ccc(Br)c(C(=O)Nc2cccc(NC(C)=O)c2)c1 5577746 VACIBKSJEALAEC-UHFFFAOYSA-N 363.211 3.668 0 40 FHAB CCc1cc(=O)c2cc(NC(=O)CCc3ccccc3OC)ccc2[nH]1 95465058 BMWSGDJHMAHDRT-UHFFFAOYSA-N 350.418 3.670 0 40 FHAB CCC(CC)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccccc1OC 5642629 HDHQIQYHDQAJRS-INIZCTEOSA-N 361.467 3.733 0 40 FHAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccccc1F 6752942 GTIQUIKINOMJDL-LJQANCHMSA-N 351.381 3.877 0 40 FHAB COc1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2)ccc1N1CCCC1=O 67032424 MMVUONPLOGIXQK-DLBZAZTESA-N 368.408 3.703 0 40 FHAB O=C(c1cnc2ccc(F)cc2c1N1CCSCC1)N1CCCCC1 67288135 UDUTYZOEPKLLDC-UHFFFAOYSA-N 359.470 3.553 0 40 FHAB Cc1ccc(-n2c(SCCC(N)=O)nnc2-c2ccccc2)cc1C 7032582 CSAOSLQTWPLDAZ-UHFFFAOYSA-N 352.463 3.519 0 40 FHAB Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)n1 7048854 OHKNEHGEDQAUBO-VIFPVBQESA-N 356.373 3.505 0 40 FHAB COc1ccc(-c2nnc(SCCC(N)=O)n2[C@@H]2CCCC[C@H]2C)cc1 7205026 XPCALVFDWWKCGE-CZUORRHYSA-N 374.510 3.672 0 40 FHAB COc1ccc(OC)c(NC(=O)CN2CCCSc3ccccc32)c1 7274196 REZVJRLBZAJDMD-UHFFFAOYSA-N 358.463 3.645 0 40 FHAB COC(=O)C1CCN(C(=O)c2oc3c(ccc4ccccc43)c2C)CC1 15858117 SUHCIURPGPKTOX-UHFFFAOYSA-N 351.402 3.920 0 40 FHAB CCCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 7649285 HSUBMIWNXGERTB-UHFFFAOYSA-N 352.434 3.964 0 40 FHAB Cc1ccc(C)c(NC(=O)CSc2nnnn2-c2c(C)cccc2C)c1 7798285 HAYIIACZVFCYHT-UHFFFAOYSA-N 367.478 3.627 0 40 FHAB CC(C)c1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 69090841 IPMPHYOUQYBLJZ-NRFANRHFSA-N 372.534 3.925 0 40 FHAB O=C(CCc1cccnc1)Nc1cccc(-c2nnc3n2CCCCC3)c1 8139860 KYAIPDOMOORVJJ-UHFFFAOYSA-N 361.449 3.638 0 40 FHAB CCCn1nnnc1COC(=O)c1sc2cc(Cl)ccc2c1Cl 8155901 REMHELWMCFQIFI-UHFFFAOYSA-N 371.249 3.962 0 40 FHAB c1ccc2c(c1)oc1c(Nc3ccc(CN4CCOCC4)cc3)ncnc12 17252184 SZXSGGBOFCPWMN-UHFFFAOYSA-N 360.417 3.952 0 40 FHAB Cn1ccnc1Sc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 84331715 KFAJQMLQNAMIRR-DLBZAZTESA-N 350.447 3.709 0 40 FHAB COCCn1ccnc1[C@H]1CN(Cc2cccc(F)c2)Cc2ccccc21 306137565 QZZHRJLEPFRTOR-NRFANRHFSA-N 365.452 3.816 0 40 FHAB c1ccc(-c2ccc3nnc(C4CCN(Cc5ccoc5)CC4)n3n2)cc1 306132730 LQNMVFLVKGLIOQ-UHFFFAOYSA-N 359.433 3.764 0 40 FHAB Cc1ccc(-c2csc3ncc(C(=O)NC4CCCCC4)c(=O)n23)cc1 20767980 ZUSQYWKFZNHXSD-UHFFFAOYSA-N 367.474 3.794 0 40 FHAB C[C@@H](CCc1n[nH]c2ccccc12)NCc1ccc(C[S@@](C)=O)cc1 556897262 LIIXHSINCVJLPH-ODCWNRFASA-N 355.507 3.552 0 40 FHAB Cc1nc(C2CCCCC2)sc1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O 537170998 JCQDGEQFXYLHNV-DLBZAZTESA-N 356.491 3.887 0 40 FHAB COc1ccccc1-c1cc2c(=O)n(Cc3ccccc3Cl)ccn2n1 64977348 OJLYHVOEZACVCJ-UHFFFAOYSA-N 365.820 3.873 0 40 FHAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1-n1cnnn1 32644702 OSCAMOHVWNWZPI-UHFFFAOYSA-N 367.718 3.587 0 40 FHAB Cc1cc(N2CCOCC2)ncc1[C@H]1CCCCN1C(=O)c1ccccc1 72219437 PDJVHPPFINGXSH-HXUWFJFHSA-N 365.477 3.594 0 40 FHAB CCN(CC)C(=O)CN1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 72348750 RXHBNKHXQKAGEX-GOSISDBHSA-N 369.484 3.936 0 40 FHAB COc1cc(C)c(S(=O)(=O)N2C[C@H]3CCC(=O)c4cccc2c43)cc1C 184959013 SSKUMWXKVGOBKL-CQSZACIVSA-N 371.458 3.581 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C 223825284 KWIJIXTYGJUPRG-QGZVFWFLSA-N 370.468 3.538 0 40 FHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 225004882 QFICOUVPIBRDBD-OAQYLSRUSA-N 368.477 3.936 0 40 FHAB CCOc1cccc(COC(=O)c2nn(CC(C)C)cc2C(F)F)n1 135402486 LMAJRQFWBIMHIL-UHFFFAOYSA-N 353.369 3.627 0 40 FHAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 224266109 KKQZBBXRWDGPAM-VPRMIVPMSA-N 364.445 3.664 0 40 FHAB COc1ccc(-c2nnc(NC(=O)COc3cccc(C)c3C)s2)cc1 224490110 WFCUISAMVFMQQS-UHFFFAOYSA-N 369.446 3.848 0 40 FHAB CCc1ccc(NC(=O)c2ccc(Cl)c(N(C)S(C)(=O)=O)c2)cc1 225973173 GRRQTJQQRNYYLA-UHFFFAOYSA-N 366.870 3.551 0 40 FHAB O=C1CC2(CCN(c3nccs3)CC2)c2ccccc2N1CC1CC1 96080241 SDXZTMQPTFXBDN-UHFFFAOYSA-N 353.491 3.828 0 40 FHAB CCOc1cc([C@@H](N)c2n[nH]c(-c3ccccc3Cl)n2)ccc1OC 95534427 PGYGWCUGNFNEEO-MRXNPFEDSA-N 358.829 3.581 0 40 FHAB CCc1ccc(NC(=O)C2CCN(C(=O)c3cccc(OC)c3)CC2)cc1 243960350 SAKDDYHAMXQUPY-UHFFFAOYSA-N 366.461 3.749 0 40 FHAB Cc1ncc(C(=O)N2CCC[C@H](Cc3cnc4ccccc4c3)CC2)cn1 257286564 PMAKIBHSOCDADC-KRWDZBQOSA-N 360.461 3.818 0 40 FHAB CO[C@]1(COc2ccccc2F)CCCN(Cc2ccc(O)cc2)CC1 257310253 UEJNXLLIIRBETP-OAQYLSRUSA-N 359.441 3.981 0 40 FHAB Clc1ccccc1CN1CC2(C1)OCC[C@@H]2COCc1ccncc1 253493119 SGYXBAMGCONIKM-GOSISDBHSA-N 358.869 3.543 0 40 FHAB O=C(O)c1ccccc1OCCN1CCC2(CCc3ccccc3O2)CC1 659802402 VXOOSKAWEWPUGF-UHFFFAOYSA-N 367.445 3.623 0 40 FHAB O=C(Nc1cccs1)N1CCC(Oc2cnc3ccccc3n2)CC1 90678702 AUSMVSKJPQVDRX-UHFFFAOYSA-N 354.435 3.767 0 40 FHAB O=C(C[C@@H]1C(=O)Nc2ccccc21)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 684512769 DQROIMLQLIQVQP-KYJSFNMBSA-N 352.409 3.704 0 40 FHAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@H]1c1cccc(Cl)c1 1319301515 URKNMRQMEMCKDI-HNNXBMFYSA-N 356.809 3.612 0 40 FHAB Cc1cccc(C(=O)O)c1NC(=O)C(O)(c1ccccc1)c1ccccc1 1615055856 RFJYCSUCQCJDEI-UHFFFAOYSA-N 361.397 3.568 0 40 FHAB CCCN(C(=O)c1ccc(-n2cnc3ccccc32)cc1)[C@H]1CCN(C)C1 649000573 XXPRRELNRNENLU-IBGZPJMESA-N 362.477 3.582 0 40 FHAB Cn1cc(NC(=O)N2CCOc3cc(O)ccc3C2)c(C2CCCCC2)n1 297298907 GMPQGDYFOFWLMR-UHFFFAOYSA-N 370.453 3.600 0 40 FHAB O=C(c1ncoc1C1CC1)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 645971559 KEVOANIEVRZTQJ-AWEZNQCLSA-N 366.339 3.785 0 40 FHAB COCCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)nc(C)c1C 55250979 PHRXNDFHSISLAE-INIZCTEOSA-N 361.511 3.882 0 40 FHAB C[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccccc1 3212051 WYZUJXRLCCWWJN-RUAUKMDKSA-N 360.413 3.928 0 40 FHAB CC1(C)O[C@@H]2CO[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2O1 5063343 ZTORIHMLNGCWDS-NCYKPQTJSA-N 370.445 3.665 0 40 FHAB Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NC(=O)C2CCCC2)c1 5259129 DKKJWEHMJJUENC-UHFFFAOYSA-N 365.408 3.962 0 40 FHAB COc1ccc(OC[C@@H]2[C@@H]3CC[C@@H](C3)N2C(=O)c2cnn(C(C)C)c2)cc1 12220636 KKSLSPNZYHPJLR-OXFYSEKESA-N 369.465 3.545 0 40 FHAB CC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 14009267 UIABGHRNAPRCOI-CYBMUJFWSA-N 360.841 3.884 0 40 FHAB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](CC(C)C)[C@@H]2C1=O 18060462 BMHVPIICEQFDLA-AABGKKOBSA-N 364.445 3.720 0 40 FHAB O=C(N[C@@H]1CN2CCC1CC2)c1cc(Cl)cc2c1O[C@H]1CCCC[C@@H]21 3804932 LDYMIBZOCSHLBG-QGTPRVQTSA-N 360.885 3.583 0 40 FHAB COc1cccc([C@@H]2CCCN2CC(=O)N[C@H](C)c2ccc(F)cc2)c1 36489971 JWDGLKJAHHKIRI-QRWLVFNGSA-N 356.441 3.849 0 40 FHAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCc3ccccc3)c12 10641779 VVJOBIBWJLYKGD-UHFFFAOYSA-N 356.429 3.874 0 40 FHAB C[C@@H]1CCC[C@@H](C)N1CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1 3189760 STTINUWGALUHJH-ZIAGYGMSSA-N 358.935 3.660 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)NCc1ccc(NC(=O)c2ccco2)cc1 11534809 NOWVFYWKSCKMKO-UHFFFAOYSA-N 373.412 3.872 0 40 FHAB CC(C)(C)OC(=O)N1CCC(=O)[C@@H]1Cc1cccc(Br)c1 1857775975 NJIJPMUNIBCHLC-ZDUSSCGKSA-N 354.244 3.570 0 40 FHAB Clc1nc(Cl)nc(Nc2ccc(I)cc2)n1 848421 UIXHHLPNGYDKMP-UHFFFAOYSA-N 366.977 3.527 0 40 FHAB Cc1ccc(-n2ncc3c(C)nn(Cc4cccc(F)c4)c(=O)c32)cc1C 12228848 LAUGADBYNUAARH-UHFFFAOYSA-N 362.408 3.695 0 40 FHAB COc1cccc(OCC(=O)OCc2cc(-c3ccc(C)cc3)on2)c1 12236669 VXHMVDKJCXBCFA-UHFFFAOYSA-N 353.374 3.781 0 40 FHAB Cc1cccc(-c2noc(CSc3nc4ccccc4c(=O)n3C)n2)c1 17135524 GWCRPYKEPHBHQH-UHFFFAOYSA-N 364.430 3.584 0 40 FHAB Cc1ccc(C(=O)N2CCC(COc3ccc(C4CC4)nn3)CC2)s1 1775965499 ADNDLYSIPRRXSD-UHFFFAOYSA-N 357.479 3.655 0 40 FHAB COC(=O)c1ccc(CSc2nc(-c3ccc(OC)cc3)ns2)o1 4167546 XHFHPTKIPNDXOO-UHFFFAOYSA-N 362.432 3.886 0 40 FHAB O=C(C1=Cc2ccccc2OC1)N1CCn2cccc2[C@@H]1c1ccccc1 40059728 AMFSHKGPUCZTMW-QFIPXVFZSA-N 356.425 3.896 0 40 FHAB COc1cccc(C(=O)NCc2cccc(COCc3ccco3)c2)c1 40089376 QGJLRRLVYDJYSA-UHFFFAOYSA-N 351.402 3.935 0 40 FHAB CC(C)[C@@H](NC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1ccc(Cl)cc1 40057643 DUUVQWDDISNECI-GOSISDBHSA-N 372.852 3.674 0 40 FHAB COc1ccc([C@@H](NC(=O)c2cnc3c(cnn3C(C)C)c2)C2CC2)cc1 40024707 ICOUDCPLKGUONP-IBGZPJMESA-N 364.449 3.902 0 40 FHAB COc1ccc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)cc1C 30324130 BVEZGTAXEBCNQO-UHFFFAOYSA-N 363.822 3.973 0 40 FHAB COc1ccc(CNC(=O)Nc2cccc(OC(F)F)c2)cc1OC 40120534 JCHDGXWGSBEWDZ-UHFFFAOYSA-N 352.337 3.627 0 40 FHAB COC(=O)c1cc(NC(=O)c2cc(Cl)c3c(c2)OCO3)ccc1Cl 31056972 OQWRQQKKKMNTBW-UHFFFAOYSA-N 368.172 3.761 0 40 FHAB CNC(=O)c1ccc(C)c(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c1 31538326 SMGLTYGVPRDZMC-UHFFFAOYSA-N 368.824 3.650 0 40 FHAB Cc1cc(C(=O)[C@H]2CC(O)=Nc3c2c(C)nn3-c2ncccn2)c(C)s1 20723752 RQLNKVXBGDQPTG-ZDUSSCGKSA-N 367.434 3.607 0 40 FHAB COc1ccc(NC(=O)[C@H]2CCCN2Cc2nc3ccccc3s2)cc1 52714368 PRCSQHXHJRMEOD-QGZVFWFLSA-N 367.474 3.908 0 40 FHAB O=C(O)CCC(=O)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 33405878 JLULDRWPVOVHHE-AISCIVHFSA-N 368.389 3.860 0 40 FHAB COc1cc(CN(C)C(=S)N[C@H]2C[C@H]3CC[C@H]2C3)ccc1OC(F)F 103352914 PZGNJQMNGDPKFL-UBHSHLNASA-N 370.465 3.792 0 40 FHAB CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccccc2)cc1 666532 GUGQNCDZLDTZBT-GOSISDBHSA-N 367.474 3.517 0 40 FHAB CCc1nnc(COC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)o1 22612753 NAQNFIONXHGABV-UHFFFAOYSA-N 374.828 3.504 0 40 FHAB COc1cccc(C(=O)Nc2cc(I)ccc2C)c1 721978 JWIPLSUIAIMDMW-UHFFFAOYSA-N 367.186 3.861 0 40 FHAB O=C(NC[C@@H]1CCCO1)c1csc(Nc2cccc3ccccc23)n1 819412 FJCYPDFJUKXMTC-AWEZNQCLSA-N 353.447 3.949 0 40 FHAB FC(F)(F)c1cc(C(F)(F)F)c2ccc(Sc3ncn[nH]3)nc2n1 3118819 IXRWYJKCAABODC-UHFFFAOYSA-N 365.262 3.937 0 40 FHAB O=C(COc1ccc(Br)cc1)NCc1ccc(Cl)cc1 3514823 VKMPKWXDFACRRS-UHFFFAOYSA-N 354.631 3.798 0 40 FHAB Clc1ccc(-c2cnc(CN3CCN(c4ccccn4)CC3)o2)cc1 23818533 RHIYCAVAWQQZTP-UHFFFAOYSA-N 354.841 3.712 0 40 FHAB COc1cccc(CC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)c1 12549875 UAMROMHSTXBVOA-LJQANCHMSA-N 369.852 3.530 0 40 FHAB COC(=O)c1cc(NC(=O)c2ccccc2OC(F)F)c(F)cc1F 24986931 GVRJTDITOBKYGZ-UHFFFAOYSA-N 357.259 3.605 0 40 FHAB O=C(c1cc2c(s1)CCCC2)N1CCC[C@H](c2nnc3ccccn23)C1 25050053 PPSFCSRAKYDXIQ-HNNXBMFYSA-N 366.490 3.689 0 40 FHAB COc1ccc([C@@H](NC(=O)c2cccc(N3CCCC3=O)c2)C2CC2)cc1 25105528 RAUKAZSKMRGXCS-NRFANRHFSA-N 364.445 3.703 0 40 FHAB O=C(CSc1ncnc2ccccc12)NCCc1ccc(Cl)cc1 3245803 BDLAYJSIOPOSCN-UHFFFAOYSA-N 357.866 3.734 0 40 FHAB CN(Cc1cccc(C(N)=O)c1)C(=O)Nc1ccc2c3c(cccc13)CC2 56577207 BAJBUSRASVSNQT-UHFFFAOYSA-N 359.429 3.701 0 40 FHAB C[C@@H]1COCCN1C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 57144087 OHCJWZNZHOSGNO-MLGOLLRUSA-N 367.287 3.721 0 40 FHAB Cc1cc(OCC(=O)Nc2c(C)cccc2C)nc(N2CCC[C@H](C)C2)n1 44168374 DQPIKRLEWIAXIR-AWEZNQCLSA-N 368.481 3.656 0 40 FHAB COCC(=O)Nc1ccc(NC(=O)N[C@H](c2cccs2)C(C)C)cc1 44122577 IGXQNHBFFHWIHY-KRWDZBQOSA-N 361.467 3.852 0 40 FHAB Cc1nc(-c2ccc(CNC(=O)c3ccc(-n4cccn4)cc3)o2)cs1 12619392 CEZVYTFBKYUJKC-UHFFFAOYSA-N 364.430 3.827 0 40 FHAB Cc1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)ccc1Oc1cccnc1 58167312 JLKJKYKEPAKRQA-SJORKVTESA-N 352.390 3.788 0 40 FHAB CCOC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 58192593 NFOJLABRSICFKG-HZPDHXFCSA-N 352.272 3.580 0 40 FHAB O[C@H](c1ccccc1)c1nccn1Cc1noc(-c2ccc(Cl)cc2)n1 95941616 OZMQRPFOGIGAPZ-QGZVFWFLSA-N 366.808 3.717 0 40 FHAB CCCC(=O)N[C@H]1CCCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 58264573 BLBJVPRBLAYBPP-SFHVURJKSA-N 366.461 4.000 0 40 FHAB Cc1cc(CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)ccc1F 22508607 LHFVRNDORCGIHH-UHFFFAOYSA-N 354.429 3.778 0 40 FHAB O=C(c1ccc2c(c1)OCCCO2)N1CCn2cccc2[C@@H]1c1ccccc1 45249176 PEZCWYOLOOOVQM-QFIPXVFZSA-N 374.440 3.895 0 40 FHAB COc1cc(OC)cc(N2CC[C@@H](NCC(C)(C)c3ccccc3)C2)c1 95464132 IAEPOJGWLMFKBD-GOSISDBHSA-N 354.494 3.850 0 40 FHAB O=C(CCC1CCCC1)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 45769467 GYOCGLASDHFAID-UHFFFAOYSA-N 374.916 3.602 0 40 FHAB C[C@@H]1CCCN(CCCCNC(=O)Nc2nc(C(F)(F)F)cs2)C1 45979156 QWTSRADLSWNJPA-LLVKDONJSA-N 364.437 3.796 0 40 FHAB Cc1nc2cc(NC(=O)C(=O)c3c(C)nn(-c4ccccc4)c3C)ccc2o1 29796245 ZOBRXHZCOYFZDL-UHFFFAOYSA-N 374.400 3.760 0 40 FHAB CCOc1c(Cl)cc(/C=C/C(=O)Nc2nnc(CC)s2)cc1OC 12800097 JXXLGEROMQOAAM-VOTSOKGWSA-N 367.858 3.813 0 40 FHAB CCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N2C1=S 2797516 LEILCFKTZPRPLW-MJGOQNOKSA-N 361.470 3.631 0 40 FHAB biogenic CCc1ccc(Nc2nnc(SCC(=O)NC3CCCC3)s2)cc1 3461508 GZGWANDKTPHYIH-UHFFFAOYSA-N 362.524 3.995 0 40 FHAB COc1cc(OC)c(C(=O)OCCOc2ccccc2Cl)cc1OC 3445914 VAHNKDURFCHKRE-UHFFFAOYSA-N 366.797 3.602 0 40 FHAB COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(Cl)nc1 3566286 HTJYECIZOZMWMF-UHFFFAOYSA-N 354.859 3.842 0 40 FHAB CC(C)[C@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2 3536612 MJWJPOPQQOIYEV-CABCVRRESA-N 368.477 3.677 0 40 FHAB COc1cc(OC)cc(OCC(=O)N[C@H](C)c2cc3ccccc3o2)c1 12906156 DHUKUQOSLKGCMQ-CYBMUJFWSA-N 355.390 3.706 0 40 FHAB CC[C@@H](C)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 4085270 HZPFSRUNQYWHBA-YIILKADPSA-N 373.456 3.553 0 40 FHAB biogenic COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(C)cc2C)cc1 6046482 QGTBDMYGOIWQNL-IBGZPJMESA-N 365.433 3.579 0 40 FHAB CC(C)(C)c1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1 4452449 YXPZSXIHRHIBKF-UHFFFAOYSA-N 354.402 3.795 0 40 FHAB Cc1ccc(NC(=O)c2nnc3c(-c4ccccc4)c(C)nn3c2C)cc1 9225429 XJHZLAUAPHXXQB-UHFFFAOYSA-N 357.417 3.969 0 40 FHAB Cc1ccc2c(COC(=O)CCC(=O)c3ccc(F)cc3)cc(=O)oc2c1 6450474 RQFSUKAQQTYZRP-UHFFFAOYSA-N 368.360 3.947 0 40 FHAB CCOc1ccc2nc(SCn3nnc4ccccc4c3=O)sc2c1 6509519 XRSOHLLCAUETOO-UHFFFAOYSA-N 370.459 3.550 0 40 FHAB CCCCC[C@@H](C)NC(=O)COCC(=O)Nc1ccc(C)c(Cl)c1 4681152 KSCSIWLVEQYJQZ-CQSZACIVSA-N 354.878 3.689 0 40 FHAB Cc1ccc(N2C(=O)C[C@@H](N3CCC(c4ccc(F)cc4)CC3)C2=O)cc1 4784475 STKJTSORPRNGOZ-HXUWFJFHSA-N 366.436 3.646 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)OCc2nc(-c3ccccc3Cl)no2)c1C 7086323 DHSPKXAQMYMUCB-UHFFFAOYSA-N 373.796 3.895 0 40 FHAB C[C@@H](NC(=O)COc1ccc(-c2nnco2)cc1)c1cc2ccccc2o1 7774138 IURBEGPWCXNTOA-CYBMUJFWSA-N 363.373 3.739 0 40 FHAB CCc1cccc(CC)c1NC(=O)CCS(=O)(=O)c1ccc(C)cc1 7990267 XXUNMTOWFNIGHZ-UHFFFAOYSA-N 359.491 3.922 0 40 FHAB CCc1ccc2c(CC(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)coc2c1 8014570 DSBHJQQHXGKXOV-LBPRGKRZSA-N 364.401 3.896 0 40 FHAB COc1ccc(CNC(=O)c2csc(-c3ccccc3)n2)cc1OC 8276273 UGGHHHRMHMKBAF-UHFFFAOYSA-N 354.431 3.757 0 40 FHAB Cc1ccc(NC(=O)CN(C)C(=O)CCCc2c[nH]c3ccccc23)cc1 8375483 WTGDBKFLRKWBGZ-UHFFFAOYSA-N 363.461 3.896 0 40 FHAB CCS(=O)(=O)N1c2ccc(C(=O)Nc3cc(C)ccc3C)cc2C[C@H]1C 20448970 QTQIBXYCHMTKOP-OAHLLOKOSA-N 372.490 3.656 0 40 FHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1c(C)noc1C 8775765 BXMWARHGPQMZAW-UHFFFAOYSA-N 358.316 3.588 0 40 FHAB COc1cccc(OCCNC(=O)c2sc(-c3ccc(C)o3)nc2C)c1 25016683 ZBTRTLLIKNBHNH-UHFFFAOYSA-N 372.446 3.837 0 40 FHAB CC[C@H](c1ccc(OC)c(OC)c1)N1CCC(CC(=O)N2CCCC2)CC1 97102137 BRCDZTCBXFBEBZ-LJQANCHMSA-N 374.525 3.879 0 40 FHAB Cc1nc(/C=C/C(=O)Nc2cccc(Cl)c2N2CCOCC2)cs1 9907173 CEEOPFCIWIVCFQ-AATRIKPKSA-N 363.870 3.593 0 40 FHAB O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)c1ccc2ccccc2n1 75940233 FRNWVDIGRPPYCE-UHFFFAOYSA-N 359.385 3.531 0 40 FHAB CCc1ccc(-n2c(C)nnc2SCC(=O)NCc2ccccc2)cc1 409104914 LCEQULCQZSXQOP-UHFFFAOYSA-N 366.490 3.547 0 40 FHAB CCn1cc(CN2CCC[C@@H]2c2ncn3cc(-c4cccnc4)ccc23)cn1 306132081 KXQSNIYUTFEHPZ-HXUWFJFHSA-N 372.476 3.950 0 40 FHAB O=C1/C(=C/c2csc(Br)c2)N=C(S)N1Cc1ccco1 32789568 NYTFASQPNHVQTG-WMZJFQQLSA-N 369.265 3.773 0 40 FHAB CCCCCC(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)CC)CC1 33699210 WCYFNMGFPQLXON-UHFFFAOYSA-N 365.905 3.917 0 40 FHAB O=C(CSc1nnc(C(=O)Nc2ccccc2)s1)Nc1ccccc1 32117909 RIDHOTFGWIRJSO-UHFFFAOYSA-N 370.459 3.521 0 40 FHAB O=C(c1ccc(F)cc1F)N1CCC(c2nnc(-c3ccco3)o2)CC1 38670445 POCMHHCKYYWBQX-UHFFFAOYSA-N 359.332 3.628 0 40 FHAB COc1ccc(-c2[nH]ncc2C(=O)NCCC2=CCCCC2)cc1OC 72329260 MWIYUPXKOXYUJU-UHFFFAOYSA-N 355.438 3.714 0 40 FHAB COc1ccc(Oc2cc(C)nc([C@H]3CCCN3C(=O)C3CC3)n2)cc1 72383745 NSGMZQTVAYBTFD-QGZVFWFLSA-N 353.422 3.659 0 40 FHAB CC(C)OCCCNC(=O)CC1(N2Cc3ccccc3C2=O)CCCCC1 1548348843 SNRQRTJHHFBQJX-UHFFFAOYSA-N 372.509 3.667 0 40 FHAB COc1cc(OC)cc(C(=O)N[C@@H](C)c2ccc(-n3cccc3)cc2)c1 32610538 UWKACVCNYLLBCF-HNNXBMFYSA-N 350.418 3.986 0 40 FHAB CCCOc1ccccc1NC(=O)CCCn1c(=O)oc2ccccc21 35982312 KNJIMYJOZYKSRU-UHFFFAOYSA-N 354.406 3.802 0 40 FHAB Nc1cc(-c2c[nH]nc2[C@H]2CCCCN2CCOc2ccccc2)ccn1 72357477 ABUAFNMQCNPAGQ-LJQANCHMSA-N 363.465 3.660 0 40 FHAB C=CC(=O)Nc1ccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 77579494 DAMQXEHCSNUDAD-MRXNPFEDSA-N 356.422 3.917 0 40 FHAB CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(C)=O 223470933 COAOPFLLNWHOHK-HXUWFJFHSA-N 356.441 3.832 0 40 FHAB CCOc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1Cl 224932768 USIMRWSQKOSUCZ-UHFFFAOYSA-N 363.841 3.728 0 40 FHAB CCOc1ccccc1CCCNC(=O)CCc1ccc2c(c1)OCCO2 222642824 YQUFDDUKJNDHSE-UHFFFAOYSA-N 369.461 3.538 0 40 FHAB CCOC(=O)c1cc(NC(=O)C2(OCC)CCC(C)CC2)ccc1OC 225834407 HVUFQBHSXRAPMD-UHFFFAOYSA-N 363.454 3.796 0 40 FHAB Cc1nc2ccccn2c1-c1nnc2sc(-c3c[nH]c4ccccc34)nn12 227143878 OICLVZLUKYIIPI-UHFFFAOYSA-N 371.429 3.957 0 40 FHAB O=C(Nc1cnc(Oc2ccccc2F)nc1)Nc1ccc2c(c1)OCO2 77101361 GOYRXCWGUXDAPO-UHFFFAOYSA-N 368.324 3.781 0 40 FHAB Cc1cc(C(=O)N[C@@H](C)C(C)C)ccc1NS(=O)(=O)c1ccccc1 225205033 OURBIOOXCFSIJN-HNNXBMFYSA-N 360.479 3.570 0 40 FHAB Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1cc2cc(F)ccc2s1 328994568 WBCPXLTUJJNSPL-AWEZNQCLSA-N 359.426 3.594 0 40 FHAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 222860029 QRWRVJYRODDTMA-MOPGFXCFSA-N 363.490 3.650 0 40 FHAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1nnc(CC2CCCC2)o1 194899234 HCUWQKBHSDPCJP-UHFFFAOYSA-N 355.847 3.565 0 40 FHAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1F)c1cc(F)cc(F)c1 96170768 RCKDYBJPYMGVQC-UHFFFAOYSA-N 355.259 3.924 0 40 FHAB Cc1cc(C)c(I)c(I)c1 95868082 BWEXGFATNVJEBC-UHFFFAOYSA-N 357.960 3.513 0 40 FHAB O=C(c1ccc2ccccc2n1)N1C[C@H]2CC[C@H](Oc3cccnc3)[C@H]2C1 257302249 SCCUODAYZYEWDL-MMOPVJDHSA-N 359.429 3.559 0 40 FHAB O=C1C[C@H](c2cccs2)[C@H]2[C@@H](O)CCC[C@H]2N1Cc1ccc(F)cc1 257234655 GUNSVTCPIWQYIV-PDOICOKGSA-N 359.466 3.933 0 40 FHAB O=C(C1CCCCC1)N1CCC(c2cccc(Nc3cnccn3)n2)CC1 257271308 MXTGPPSBQDTGCH-UHFFFAOYSA-N 365.481 3.902 0 40 FHAB COc1ccc([C@@H]2[C@@H](NC(=O)C[C@H](C)n3ccnc3)[C@@H]3CCCC[C@H]32)cc1 257367400 INXUSRUAMUXTRN-SCAVEHSPSA-N 367.493 3.931 0 40 FHAB O=C(Nc1ccc2cc[nH]c2c1)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 1117555584 XADRKKIWWFKBCO-NRFANRHFSA-N 367.424 3.766 0 40 FHAB C[C@H](CN(C)[C@H](C(=O)O)c1ccccc1Br)c1nccs1 659787379 HEEJLWGZDZLKBM-MFKMUULPSA-N 369.284 3.767 0 40 FHAB Cc1ccc(Cl)c(S(=O)(=O)N2CCCO[C@H](c3ccccc3)C2)c1 677960272 DWUZFJJDWPRKFK-KRWDZBQOSA-N 365.882 3.801 0 40 FHAB CC(C)CCC(=O)N1CCC2(CC1)OCC[C@H]2CCOCc1ccccn1 575405053 QYKJGCLSFVAHAL-LJQANCHMSA-N 374.525 3.822 0 40 FHAB Fc1cccc(OCCN2CCOCC2)c1Oc1cccc(Cl)c1 585266171 FBUYBBBFORCNQH-UHFFFAOYSA-N 351.805 3.982 0 40 FHAB CCOc1cc2c(cc1CNC(=O)c1cc(-c3ccco3)on1)O[C@@H](C)C2 37133424 DZIPNVPVHXQLSP-LBPRGKRZSA-N 368.389 3.587 0 40 FHAB Cc1cc(CNC(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)on1 61774887 RIFSMSKFYPFZDO-UHFFFAOYSA-N 370.453 3.709 0 40 FHAB CCOc1ccc(NCc2nnc(S)n2-c2ccc(OC)cc2)cc1 5444563 ZULDEQIUFHGWAL-UHFFFAOYSA-N 356.451 3.575 0 40 FHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc(C(=O)OC)c1C 14399609 FYWGIEARXFVEGW-GOSISDBHSA-N 357.406 3.586 0 40 FHAB CCn1c(=O)sc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 15865044 MANMOTOQBXIBGF-UHFFFAOYSA-N 362.838 3.754 0 40 FHAB O=C1N[C@@H](c2cccc(Cl)c2)N2C(=O)N[C@H](c3cccc(Cl)c3)N12 17004175 JXKOXGKHXQVSCQ-OKILXGFUSA-N 363.204 3.656 0 40 FHAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2cc3ncccc3[nH]2)CC1 19077977 IOSZSOKIBCDZBE-CQSZACIVSA-N 367.424 3.876 0 40 FHAB O=C(N[C@H]1CCCN1C(=O)/C=C/c1ccccc1)OCc1ccccc1 1585884 YTKWGDJYGIPJIQ-JKIKYLSZSA-N 350.418 3.575 0 40 FHAB C[C@H]1CN(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)CC(C)(C)O1 110102664 ZLKOELGKTOISEO-NSHDSACASA-N 352.360 3.561 0 40 FHAB COc1ccc(C(=O)n2cc(C=O)c3ccccc32)cc1Br 226367796 KUEJHSYHHGJQJS-UHFFFAOYSA-N 358.191 3.913 0 40 FHAB COc1ccc2nc(S[C@H](C(=O)NC3CC3)c3ccc(F)cc3)[nH]c2c1 12239791 WYPCFMOMGMLPPX-KRWDZBQOSA-N 371.437 3.823 0 40 FHAB COc1ccccc1-c1nnc(C2CCN(c3ncc(C)cn3)CC2)s1 1888903832 VOSXEUPEDQLOMD-UHFFFAOYSA-N 367.478 3.696 0 40 FHAB O=C(CSC1CCCC1)NC[C@@H](O)c1ccc(-c2cccs2)o1 1888913699 ATMKVVQEBYWCEA-CYBMUJFWSA-N 351.493 3.834 0 40 FHAB COc1ccc(C(=O)N2CCc3c(COCC4CC4)cncc3C2)c(C)c1 1565551269 CCCNYMTVOVYFFC-UHFFFAOYSA-N 366.461 3.524 0 40 FHAB O=C(N[C@@H](c1cccs1)C1CCOCC1)[C@@H]1CCc2ccccc2O1 1565523154 GRGFKLRXKJSSPP-PKOBYXMFSA-N 357.475 3.726 0 40 FHAB CCCc1nnc(SCC(=O)Nc2ccccc2CC)n1-n1cccc1 4518628 SQYUJGCGXQLNIF-UHFFFAOYSA-N 369.494 3.637 0 40 FHAB O=c1ccc(-c2cccc(Br)c2)nn1Cc1ccc(F)cc1 5388320 JKCQGNLWVNWNLE-UHFFFAOYSA-N 359.198 3.860 0 40 FHAB CC(C)CCN1C(=O)CCc2cc(NS(=O)(=O)c3ccccc3)ccc21 8840925 PSRFQJODHHIXPH-UHFFFAOYSA-N 372.490 3.813 0 40 FHAB O=C(Cc1cccs1)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 9036430 FCUVRWYDPXXZJQ-UHFFFAOYSA-N 366.442 3.721 0 40 FHAB O=S(=O)(c1ccccc1Cl)N1CCn2cccc2[C@H]1c1ccccc1 12361342 ZQBAMYZHBCDZLC-LJQANCHMSA-N 372.877 3.935 0 40 FHAB COc1ccc(CCNC(=O)Cc2cc(-c3ccc(Cl)cc3)on2)cc1 12422185 JGNYIRJRKJVYLY-UHFFFAOYSA-N 370.836 3.905 0 40 FHAB CC(C)(C)NC(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 22907663 SFNRMLMCSRIKLQ-KRWDZBQOSA-N 357.523 3.945 0 40 FHAB CN(C)[C@@H](CNC(=O)c1cc(-c2ccccc2)nc2ccccc12)C1CC1 40152083 BXEYOYCEZDHDJY-QFIPXVFZSA-N 359.473 3.972 0 40 FHAB CC(C)c1ccccc1NC(=O)c1c(-n2cnnn2)sc2c1CCC2 40286057 NKPJGSVCQJPGDO-UHFFFAOYSA-N 353.451 3.588 0 40 FHAB Cc1ccc(-c2nc(C(=O)Nc3cccc(N4CCOC4=O)c3)cs2)o1 31368155 ZXPXFAUECIUVIU-UHFFFAOYSA-N 369.402 3.920 0 40 FHAB C[C@H](NC(=O)[C@@H](C)n1cnc2ccccc21)c1ccc(-n2ccnc2)cc1 31813615 UOXZDLUXBYVAJS-JKSUJKDBSA-N 359.433 3.660 0 40 FHAB Cc1cc(C)c2c(n1)oc1c(=O)n(CC(=O)c3ccc(Cl)cc3)cnc12 32090639 FVEFZSCIMDNDNU-UHFFFAOYSA-N 367.792 3.691 0 40 FHAB CC(=O)N(C)Cc1ccccc1NC(=O)c1csc(Br)c1 32817628 HTQOTWGSKVTBQE-UHFFFAOYSA-N 367.268 3.741 0 40 FHAB CC[C@@H]1CCc2sc(C(=O)O[C@@H](C)C(=O)Nc3cc(C)no3)cc2C1 32876058 NRBMBQRJQBBMEO-NWDGAFQWSA-N 362.451 3.743 0 40 FHAB O=C(Cc1ccc(F)cc1)NCc1ccnc(OCc2ccccc2)c1 32930394 QMGCZIIPEOPCKT-UHFFFAOYSA-N 350.393 3.659 0 40 FHAB Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nnnn2-c2ccccc2)c(C)c1 1049880 HQHFDXNQCYGMDQ-OAHLLOKOSA-N 367.478 3.707 0 40 FHAB Cc1ccc([C@H](OC(=O)c2ccco2)C(=O)NCc2cccs2)cc1 1381043 ARKXTRMNUJHCDC-KRWDZBQOSA-N 355.415 3.864 0 40 FHAB Cc1ccc(C[C@H](CCN2C(=O)CCC2=O)[C@@H]2CCOC(C)(C)C2)cc1 2295941 YZZPUNIKSFOYEO-RBUKOAKNSA-N 357.494 3.898 0 40 FHAB COc1ccc2c(c1)[nH]c1c(N3CCN(C4CCCCC4)CC3)ncnc12 2398599 RLQMLUMMSWSUCB-UHFFFAOYSA-N 365.481 3.574 0 40 FHAB NC(=O)c1c(NC(=O)Cc2c(F)cccc2Cl)sc2c1CCCC2 2616659 PGXPPVSOALNJDC-UHFFFAOYSA-N 366.845 3.700 0 40 FHAB COc1ccc(CC(=O)NCc2ccc(Cl)cc2Cl)cc1OC 2774473 YVCHLXAUBVBUSX-UHFFFAOYSA-N 354.233 3.870 0 40 FHAB Cc1ccc(-n2nccc2-c2noc(C)c2C(=O)Nc2nccs2)cc1 3049091 ASWMAOMSLSESCL-UHFFFAOYSA-N 365.418 3.853 0 40 FHAB COc1ccc(C(=O)N[C@H](C(=O)Nc2cccc(C)c2C)C(C)C)cc1 3482105 HCWXOUHZHGKNAY-IBGZPJMESA-N 354.450 3.705 0 40 FHAB CCC(=O)N(Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O 4230942 HJGPOXVBXNXTEA-UHFFFAOYSA-N 352.409 3.914 0 40 FHAB COc1ccc(-c2noc(CSc3nc4ccccc4[nH]3)n2)cc1OC 4385880 AOCNVHLBIRGFAY-UHFFFAOYSA-N 368.418 3.922 0 40 FHAB CCOc1ccc([C@H]2C(C(=O)OC)=C(C)Nc3nc4ccccc4n32)cc1 4735532 DREMDXUDSNHAQK-IBGZPJMESA-N 363.417 3.897 0 40 FHAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1c[nH]c2ccccc12 4741999 FKKWPMPUUBAPIQ-IBGZPJMESA-N 358.401 3.980 0 40 FHAB O=C(O)CCc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 5134121 SACQCMSCGQBHDS-UHFFFAOYSA-N 374.245 3.811 0 40 FHAB CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc(F)cc1 5234936 GDDZSSOIEYRAAA-UHFFFAOYSA-N 351.399 3.519 0 40 FHAB Cc1ccc(-n2nnnc2SCc2nc(-c3ccccc3)no2)c(C)c1 5415325 LPHUQGUQZMSSNM-UHFFFAOYSA-N 364.434 3.621 0 40 FHAB Cc1ccc2c(c1)C(c1ccc(N(C)C)cc1)=NNC(c1cccnc1)=N2 5448340 AJQLPXJHZKQWKC-UHFFFAOYSA-N 355.445 3.890 0 40 FHAB CCOc1cc(C(=O)NCc2ccccc2F)cc(OCC)c1OCC 5630767 FNZMVVFVVQSQNX-UHFFFAOYSA-N 361.413 3.952 0 40 FHAB O=C1N[C@]2(CCCc3sccc32)C(=O)N1Cc1c(F)cccc1Cl 5680391 WUEIJEQDMJJJRB-KRWDZBQOSA-N 364.829 3.824 0 40 FHAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccc(C)c2)NC(=O)N1 6052549 HLXYAPXZDGGNMB-KRWDZBQOSA-N 355.825 3.915 0 40 FHAB O=C(NCC1CCCCC1)/C(=C/c1ccco1)NC(=O)c1ccccc1 6280202 XGIHEBBJTHCAFT-RGEXLXHISA-N 352.434 3.747 0 40 FHAB CCOC(=O)C1CCN(Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)CC1 6612678 RHNYDGCZVWQXDB-UHFFFAOYSA-N 371.477 4.000 0 40 FHAB COc1cc(CCC(=O)OC/C=C/c2ccccc2)cc(OC)c1OC 6639334 OAXQOFNVTSTZFO-JXMROGBWSA-N 356.418 3.902 0 40 FHAB O=C(Nc1nc(-c2cccs2)cs1)[C@H]1CC(=O)N(C2CCCC2)C1 6881271 NXYZPJVPAHKAIE-NSHDSACASA-N 361.492 3.601 0 40 FHAB Cc1cc(C)n2c(SCc3nc(-c4cccc(Cl)c4)no3)nnc2n1 7080569 HFLJENDRBYFGFZ-UHFFFAOYSA-N 372.841 3.737 0 40 FHAB C[C@H](NC(=O)CN(C)Cc1ccc(Br)cc1)c1cccs1 7443564 ITNSNKCYIFUVNK-LBPRGKRZSA-N 367.312 3.820 0 40 FHAB Cc1ccc(-c2noc(CNC(=O)COc3ccc4ccccc4c3)n2)cc1 7759263 GLDSETASASFXRB-UHFFFAOYSA-N 373.412 3.893 0 40 FHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)COc1ccc(F)cc1Cl 7843336 RKOVKANAZAWBSP-UHFFFAOYSA-N 373.815 3.702 0 40 FHAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc(-c2ccc(F)cc2)o1 7962776 HEKJWAUYRQUNFV-UHFFFAOYSA-N 370.355 3.936 0 40 FHAB CCOc1cc2c(cc1CNC(=O)c1cn(C)c3ccccc13)O[C@@H](C)C2 8144583 GVSZMESODSWMHP-AWEZNQCLSA-N 364.445 3.830 0 40 FHAB CNCc1cc(Br)c(OCc2ccccc2F)c(OC)c1 8377328 RUMGBBFBTHWJLE-UHFFFAOYSA-N 354.219 3.895 0 40 FHAB CN(C)CCCNC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1 8390971 DBSKOQORZJACED-CCEZHUSRSA-N 374.488 3.620 0 40 FHAB CC(=O)Nc1ccc(CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 8395725 DZKZSDZYQIVRQD-UHFFFAOYSA-N 352.312 3.725 0 40 FHAB Cc1c(Cl)cccc1NC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 8684604 OOBUIHNECFZFCS-KGLIPLIRSA-N 373.909 3.626 0 40 FHAB biogenic CC(=O)c1cccc(NC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)c1 8850078 DUJNRLLJCXDYHO-UHFFFAOYSA-N 366.446 3.714 0 40 FHAB COc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 8916026 WBCJZJZGBMNVPY-AWEZNQCLSA-N 367.405 3.768 0 40 FHAB Cn1c(SCC(=O)c2ccccc2Cl)nc2ccsc2c1=O 8924346 JJEWTNUPJDBDEB-UHFFFAOYSA-N 350.852 3.623 0 40 FHAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)OCc1ccc(C)cc1 8941711 FXSKEFDYDLGAGW-GOSISDBHSA-N 357.475 3.590 0 40 FHAB CC(C)CN1C(=O)CCc2cc(NC(=O)COc3ccccc3)ccc21 9137460 XNHCGBWQFDIYII-UHFFFAOYSA-N 352.434 3.639 0 40 FHAB Cc1ccc(C)c(NC(=O)COc2ccc(C=O)cc2Br)c1 9397200 VNOICRRTTBZBAP-UHFFFAOYSA-N 362.223 3.896 0 40 FHAB CC(C)(C)[C@@H]1CCc2onc(C(=O)N3CCN(c4ccccc4)CC3)c2C1 9597928 ITWSMESYXYABDL-MRXNPFEDSA-N 367.493 3.788 0 40 FHAB COc1cc(CCC(=O)NCc2ccccc2OC(F)F)cc(OC)c1 10114933 NWFVRQBRFNIRBP-UHFFFAOYSA-N 365.376 3.554 0 40 FHAB O=c1[nH]c2ccccc2n1CCCSc1nnc(-c2ccc(F)cc2)o1 12680161 ZGOBZEDZQZDTDR-UHFFFAOYSA-N 370.409 3.701 0 40 FHAB O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(Cc2c[nH]c3ccccc23)C1 15674091 HBPGUVITYAAWBI-APWZRJJASA-N 360.417 3.526 0 40 FHAB biogenic,in-vitro CCOc1ccc(NC(=O)COc2ccccc2OC)c2cccnc12 15840756 RUXXLZYZGFCLAW-UHFFFAOYSA-N 352.390 3.660 0 40 FHAB Cc1cc2nc([C@H]3CCCN(Cc4ccccc4Cl)C3)cc(N)n2n1 19129317 UYXMQTCKUJGEQX-HNNXBMFYSA-N 355.873 3.653 0 40 FHAB O=C(CCCNC(=O)c1cccs1)NCc1ccc(Cl)cc1Cl 19164137 UCMNIOHJNJGVSJ-UHFFFAOYSA-N 371.289 3.881 0 40 FHAB CSCC[C@H]1CN2CCC[C@H]2CN1Cc1coc2ccc(C)cc2c1=O 19219843 UXJIEXJRIZVFQR-ROUUACIJSA-N 372.534 3.503 0 40 FHAB CCn1c(C)nc2cc(NC(=O)c3ccc(-n4nc(C)cc4C)nc3)ccc21 19656334 GJWSNZJYTMGVCR-UHFFFAOYSA-N 374.448 3.814 0 40 FHAB CC[C@H](c1ccc(F)cc1)N(C)C(=O)c1cn(C)c(=O)c2ccccc12 19716561 WRCMNHXEEJIXIS-LJQANCHMSA-N 352.409 3.901 0 40 FHAB COc1ccc(OCC(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1 20144629 QDAXENHTCSTAIS-UHFFFAOYSA-N 370.188 3.718 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@H]1NC(=O)c2ccccc2N1 20915756 SVEPTBWFKXRYJY-QGZVFWFLSA-N 356.788 3.827 0 40 FHAB Cc1nc(CC(=O)O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cs1 21244742 JPDNCIBCBFYTQS-VIFPVBQESA-N 372.368 3.583 0 40 FHAB CCOc1cc(Br)c(CC(=O)N[C@H](C)C(C)C)cc1OCC 21872145 DCKDCLQQVZWLMB-GFCCVEGCSA-N 372.303 3.950 0 40 FHAB COc1ccc(F)cc1S(=O)(=O)Nc1ccc2nc(C)sc2c1 22255247 WGHAIGRIUKZNNS-UHFFFAOYSA-N 352.412 3.553 0 40 FHAB O=C(Nc1nccs1)C1CCN(c2ccc(-c3cccs3)nn2)CC1 22494165 QILNAVVUGYLFIT-UHFFFAOYSA-N 371.491 3.517 0 40 FHAB CCC(CC)[C@@H](CNC(=O)c1cc(Cl)ccc1Cl)N1CCOCC1 22755356 NLCRDKSVGAVZKT-QGZVFWFLSA-N 373.324 3.860 0 40 FHAB C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCN(CCc2ccccc2)CC1 22916324 ICRCWILFHAMNGS-KRWDZBQOSA-N 371.912 3.527 0 40 FHAB NC(=O)c1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)cc1 23044782 RJCCKQLSJMAZGO-FQEVSTJZSA-N 359.381 3.567 0 40 FHAB Cc1c(C(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)oc2ccccc12 23950767 ALZWBWVBSFNWIL-UHFFFAOYSA-N 361.353 3.622 0 40 FHAB COc1ccc(Cl)cc1CN(C)C(=O)c1cc(OC)c(C)c(OC)c1 25456198 CBXQJVPUGHUBFP-UHFFFAOYSA-N 363.841 3.946 0 40 FHAB CCCn1c(SCC(=O)Nc2ccc(F)cc2)nc2ccccc2c1=O 28359947 ZGZBTWQBSBDPTK-UHFFFAOYSA-N 371.437 3.676 0 40 FHAB O=C(NCc1ccc(N2CCCC2)nc1)c1cc(F)c(F)cc1Cl 30299739 ANIHQTUZMCSBRT-UHFFFAOYSA-N 351.784 3.543 0 40 FHAB CSc1ccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(O)nn2)cc1 31820113 FWCBCFBAADHAIW-ZDUSSCGKSA-N 367.434 3.522 0 40 FHAB O=C(O)c1ccccc1C(=O)Nc1cnn(Cc2cccc(Cl)c2)c1 32609942 WXCCSDOVHLBTBC-UHFFFAOYSA-N 355.781 3.535 0 40 FHAB Cc1cccc2sc(NC(=O)[C@@H](C)n3cc(Br)cn3)nc12 32647724 JKPALQNSCLNHNE-SECBINFHSA-N 365.256 3.763 0 40 FHAB COc1ccc(NC(=O)Cc2cccc(F)c2)cc1N1CCCCC1=O 32924843 BCWCWEIRSADWQC-UHFFFAOYSA-N 356.397 3.532 0 40 FHAB COc1ccc2sc(N3C(=O)C[C@@H](Cc4ccc(C)cc4)C3=O)nc2c1 35141804 RULBGZIBDBAZRY-CQSZACIVSA-N 366.442 3.736 0 40 FHAB Cc1ccc(N2C(=O)C[C@H](Nc3ccccc3Br)C2=O)c(C)c1 36635439 MLLXCAQIKPYFPJ-HNNXBMFYSA-N 373.250 3.810 0 40 FHAB Cc1cccc(CN2CCC(C(=O)Nc3ccc(C(=O)O)cc3)CC2)c1 39767032 WGBDNFCOWDVZDZ-UHFFFAOYSA-N 352.434 3.544 0 40 FHAB Cc1ccc(OCC(=O)N2CCC(OCc3ccccc3)CC2)cc1C 40017865 YOPPOHXQIWFFNH-UHFFFAOYSA-N 353.462 3.890 0 40 FHAB CCNC(=O)COc1ccc(NC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1 40104824 DBYHYDXFEAGMTM-AWEZNQCLSA-N 373.428 3.566 0 40 FHAB c1ccc(Cc2nc(CN(C[C@@H]3CCCO3)C[C@H]3CCCO3)cs2)cc1 40120181 MOZZRJPWRVQUSG-BGYRXZFFSA-N 372.534 3.894 0 40 FHAB Cn1ccnc1COc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1 40134902 OGZRCKWBVIWYQY-UHFFFAOYSA-N 373.359 3.853 0 40 FHAB CCN(CC)[C@H](CNC(=O)c1ccccc1-n1cccn1)c1ccsc1 40154365 CEWFDMUWPPXOKG-LJQANCHMSA-N 368.506 3.747 0 40 FHAB C[C@H]1CN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)c2ccccc2O1 41155530 AVYKRCRSQWOAHF-NSHDSACASA-N 355.777 3.874 0 40 FHAB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)nc1 43982995 YFMDUVLLQSYZHK-VCHYOVAHSA-N 353.294 3.604 0 40 FHAB COc1ccc(C(N)=O)cc1NC(=O)c1ccc(-c2ccc(F)cc2)s1 44701002 RHDMDOKUEZUBBQ-UHFFFAOYSA-N 370.405 3.914 0 40 FHAB Cc1ccc(NC(=O)CN2C(=O)COc3cc(C(C)(C)C)ccc32)cc1F 44841501 IMCTWGJJDXWLSL-UHFFFAOYSA-N 370.424 3.796 0 40 FHAB COC(=O)c1ccc(CS(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 44885666 RQRXXOYDCUOXKD-UHFFFAOYSA-N 374.245 3.722 0 40 FHAB CSc1cc(C(=O)N[C@H]2CCOc3ccccc32)ccc1NC(C)=O 44888092 XZCIXGQSEYTDIZ-HNNXBMFYSA-N 356.447 3.621 0 40 FHAB CN(CCNC(=O)NC1CCC(C(F)(F)F)CC1)Cc1ccccc1 45371822 VDRAYWYIVDTCMW-UHFFFAOYSA-N 357.420 3.539 0 40 FHAB COC(=O)Nc1ccc(NC(=O)/C=C/c2cnn(-c3ccccc3)c2)cc1 46524796 NDLGILMBPDXLSU-KPKJPENVSA-N 362.389 3.703 0 40 FHAB CC(=O)c1cc2c(cc1NC(=O)c1ccc(C)c(-n3cccc3)c1)OCO2 48274795 FGSIAXUEISIBOJ-UHFFFAOYSA-N 362.385 3.969 0 40 FHAB CCOC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(C)cc1C 48366069 AAALKPIZHJZDTE-UHFFFAOYSA-N 368.462 3.601 0 40 FHAB O=C(COc1ccc2ccccc2c1)Nc1ccn(CCc2ccccn2)n1 51418110 MBBYFJHMESJOPU-UHFFFAOYSA-N 372.428 3.692 0 40 FHAB O=C(Nc1nc(-c2cccs2)cs1)c1ccc(-n2cnnc2)cc1 58245098 VEPKCCKLJKNWGP-UHFFFAOYSA-N 353.432 3.705 0 40 FHAB O=C(Nc1ccc2nc3n(c(=O)c2c1)CCC3)c1ccccc1C(F)(F)F 58369972 XHOSVSAYOKXSKE-UHFFFAOYSA-N 373.334 3.614 0 40 FHAB Cc1cc(NC(=O)c2csc(-c3cnn(C)c3)n2)ccc1N1CCCC1 65500744 QBPOLQAYBFCZAD-UHFFFAOYSA-N 367.478 3.705 0 40 FHAB Cn1ncc(NCCOc2ccccc2-c2ccccc2)c(Cl)c1=O 68997146 VLAVPFINIROJTF-UHFFFAOYSA-N 355.825 3.592 0 40 FHAB CC(C)c1noc(CN2CCC([C@H]3CCCCCN3C(=O)C3CC3)CC2)n1 69812681 JHHOKRSSWVCEKN-GOSISDBHSA-N 374.529 3.586 0 40 FHAB O=C(Cc1cccc2ccccc12)NCC1CCN(c2ccncc2)CC1 70928599 OQVRBKVKNSYJKV-UHFFFAOYSA-N 359.473 3.810 0 40 FHAB Cc1nn(C)c(C)c1[C@H]1CC(O)=Nc2c1c(=O)[nH]n2C1CCCCCCC1 71280447 YCMJZGCAGGUEDO-OAHLLOKOSA-N 371.485 3.936 0 40 FHAB O=C(c1cnccn1)N1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 72357833 JZKZTCVZAQPQBM-HXUWFJFHSA-N 362.408 3.579 0 40 FHAB Cc1ccc(Nc2nccc([C@H]3CCCN3C(=O)C3CCCC3)n2)nc1 72377951 FVTIENDNEGTRJJ-QGZVFWFLSA-N 351.454 3.777 0 40 FHAB CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)CCNC(=O)c1ccc(F)cc1 78877852 FLYSBVRWUGLUFC-FQEVSTJZSA-N 370.468 3.734 0 40 FHAB Cn1nc2c(c1NC(=O)Cc1csc(-c3ccccc3F)n1)CSC2 79495136 ZANKRRUELLCRFI-UHFFFAOYSA-N 374.466 3.611 0 40 FHAB O=C(Nc1ccc(Br)cc1)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 80345146 RCGYBZXQRRSJRW-GJZGRUSLSA-N 374.234 3.963 0 40 FHAB CCN(CC)CCN(CC(C)C)C(=O)c1oc(Br)cc1C 84771264 IVQQBTYTMUBFSA-UHFFFAOYSA-N 359.308 3.791 0 40 FHAB Cn1cccc1[C@@H](O)CN[C@H](Cc1ccc(Cl)cc1)c1ccccn1 95454567 JVBWIINQDGOZEU-QUCCMNQESA-N 355.869 3.681 0 40 FHAB COc1ccc([C@@H](N)c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)cc1OC 95533882 INYNGQWQOSXUFT-GOSISDBHSA-N 366.465 3.835 0 40 FHAB CCOc1ccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2C(C)=O)cc1 95945214 OIUARNLXVUZOCI-FQEVSTJZSA-N 368.433 3.800 0 40 FHAB CCN(CC)c1ccc(NS(=O)(=O)Cc2noc3ccccc23)c(C)c1 96124219 WSQYGSGVRKRMIR-UHFFFAOYSA-N 373.478 3.924 0 40 FHAB CC(C)n1c(C(=O)NCCN2CCCC2)cc2c1c1ccccc1n2C 96146281 UWYCGHJUMLSTCR-UHFFFAOYSA-N 352.482 3.540 0 40 FHAB COc1ccc(OC)c(S(=O)(=O)N2CCC(C)(C)c3ccccc32)c1 96184062 SCJZVEAAWZXGKW-UHFFFAOYSA-N 361.463 3.580 0 40 FHAB COCCn1c(C(=O)NCCc2ccc(O)cc2)cc2cc(Cl)ccc21 96232350 ILIUNGFIYAJABF-UHFFFAOYSA-N 372.852 3.619 0 40 FHAB CO[C@H](CNC(=O)c1cc(Br)cs1)c1ccc(C)s1 96385905 HOTMGQLJJLZZIE-SNVBAGLBSA-N 360.298 3.998 0 40 FHAB Cc1ccc(NC(=O)c2ccc3c(c2)N(C)[C@@H]2CCCCN2C3=O)cc1C 97944052 OPHDMXBNPGEERA-FQEVSTJZSA-N 363.461 3.958 0 40 FHAB CCOc1cccc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1O 100275925 PQVMGUTZWZEVEE-XNTDXEJSSA-N 372.808 3.537 0 40 FHAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccc(F)cc1)c1ccncc1 100424902 PEXUHVBJGSYZGT-PMACEKPBSA-N 353.441 3.536 0 40 FHAB COCc1ccc(OC)c(CN2[C@@H]3CC[C@@H]2c2cnc(C4CC4)nc2C3)c1 100728959 CWSWESUELHYXBG-YLJYHZDGSA-N 365.477 3.771 0 40 FHAB CCc1cccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(C(=O)OC)cc23)c1 101085212 KSOGZOZUEGFAIV-LAUBAEHRSA-N 366.417 3.805 0 40 FHAB Cc1nc(SCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c2ccccc2n1 102325796 WMVCCAKABNTHHY-VWNJHIHFSA-N 355.507 3.971 0 40 FHAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)Nc1ccccc1N1CCCC1 102797941 LDOUHJVKYSEBDF-WZGNDQMWSA-N 354.494 3.947 0 40 FHAB C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)N[C@H]2CCOc3ccccc32)C1 106526655 KVVFCTWEPDRTQE-LMMKCTJWSA-N 359.514 3.568 0 40 FHAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1Cl 156741814 QBLWGYUGWCZKCE-UHFFFAOYSA-N 360.218 3.581 0 40 FHAB O=C1OC2(CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)c2ccccc21 206769750 UTMNEXHNEIVBNT-UHFFFAOYSA-N 372.424 3.779 0 40 FHAB Cc1nnsc1C(=O)N1CCS[C@H](c2ccccc2Cl)CC1 206993228 VWHPFSKBZFEQOB-ZDUSSCGKSA-N 353.900 3.820 0 40 FHAB CCOC(=O)c1cc(NC(=O)[C@](C)(OC)C2CC2)ccc1O[C@H](C)CC 225812356 FYUXEAINONANOO-ZUOKHONESA-N 363.454 3.794 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)NC[C@](O)(c1ccsc1)c1cccs1 244969011 GTUPKSQKCNLVJS-KUHUBIRLSA-N 373.499 3.629 0 40 FHAB CCCn1cnc2sc(C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c(C)c2c1=O 253589067 LAYCCNJSQYUECJ-CBBWQLFWSA-N 373.522 3.731 0 40 FHAB CN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1ccnc(Cc2ccccc2)c1 257241382 HXWKMPJBIHDFKJ-GMAHTHKFSA-N 363.505 3.761 0 40 FHAB CC(C)(C)C(=O)N1CCC[C@@H]1c1nccnc1-c1cccc(C(=O)O)c1 257253639 JZROCNRBJLKMFQ-OAHLLOKOSA-N 353.422 3.551 0 40 FHAB COc1ccc(O)c(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)c1 408627569 LUDZHOCMYSOGBY-UHFFFAOYSA-N 374.462 3.562 0 40 FHAB O=C(NCc1cccc(Cl)c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 408709108 XTRURNNFFGWIPO-CYBMUJFWSA-N 363.244 3.663 0 40 FHAB COC(=O)C(=Cc1cc(Cl)cc(Cl)c1OCC(C)C)C(=O)OC 409039204 BXFUQYJOUJATRY-UHFFFAOYSA-N 361.221 3.758 0 40 FHAB COc1ccccc1OCc1ccc(C(=O)n2nnc3ccccc32)cc1 409178465 JXIRZOOQZTYDLF-UHFFFAOYSA-N 359.385 3.707 0 40 FHAB CC(C)[C@H]1CCCN(c2nnc(-c3ccccn3)n2Cc2ccco2)C1 585080733 YSSKIAZWGPRXEI-INIZCTEOSA-N 351.454 3.854 0 40 FHAB Cc1cccc(-c2n[nH]cc2CN2CC[C@@H](c3ccccc3)[C@@H](CO)C2)c1 585084563 XWTPUBJAAVRMMO-YADHBBJMSA-N 361.489 3.983 0 40 FHAB O=C(c1ccc(-c2ccsc2)cc1)N1CC(n2cc(C3CC3)nn2)C1 585392309 VJMHOLZOJZDQDK-UHFFFAOYSA-N 350.447 3.581 0 40 FHAB O=C(N[C@@H]1CCO[C@H]1c1ccncc1)N[C@H](C1CCCCC1)C(F)(F)F 626512256 KKWWHNBZYMDXAT-OWCLPIDISA-N 371.403 3.722 0 40 FHAB Cn1nc(C(=O)O)cc1C(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 630182695 VWJYZMSTZUYEQL-OAHLLOKOSA-N 361.829 3.529 0 40 FHAB Cc1cnn(CC(=O)N2CCCCCCCc3ccccc3OCCC2)c1 643584566 QOOKHGDDCDMXTO-UHFFFAOYSA-N 369.509 3.996 0 40 FHAB O=C1CO[C@@]2(CCCN(Cc3ccsc3)CC2)CN1c1ccccc1 1615120202 JFFPUTXHCMJROK-HXUWFJFHSA-N 356.491 3.536 0 40 FHAB CC1=CC(C)(C)N2C(=O)[C@@](O)(CC(=O)c3ccccc3)c3cc(C)cc1c32 1740816782 UTMWNMSZMKKKNO-HSZRJFAPSA-N 361.441 3.998 0 40 FHAB CC(C)C[C@@H](C)CC(=O)N1CCC[C@@](C)(CNC(=O)C2(CF)CC2)C1 1775989232 HTLBFKUDNFNAHY-APWZRJJASA-N 354.510 3.553 0 40 FHAB FC(F)(F)c1cccc(OC[C@H]2CCN(c3ccnc(C4CC4)n3)C2)n1 1889108920 DWYHNOIYKGUEEZ-LBPRGKRZSA-N 364.371 3.673 0 40 FHAB CC(C)(C)C(=O)N[C@H]1CCCN(c2ncc(Br)cc2Cl)C1 2298099644 LATUXJPIDBRAKW-NSHDSACASA-N 374.710 3.629 0 40 FHAB CCOc1cc(Cl)c(S(=O)(=O)n2cnc3ccccc32)cc1Cl 12291812 VVYAGCJSFXUKAJ-UHFFFAOYSA-N 371.245 3.979 0 40 FHAB O=C(O)[C@H](c1c[nH]c2cc(OCc3ccccc3)ccc12)N1CCCC1 12322123 XWDXUDNNUFPMKB-FQEVSTJZSA-N 350.418 3.968 0 40 FHAB CNC(=O)c1cccc(NC(=O)c2cc(Br)ccc2Cl)c1 8982605 SPBWUUTTXMIUIC-UHFFFAOYSA-N 367.630 3.714 0 40 FHAB Cc1cc2ccccc2n2c(SCC(=O)N3CCC(C)CC3)nnc12 1223215 PRLAKFNWXKBKIW-UHFFFAOYSA-N 354.479 3.542 0 40 FHAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc12 1366340 CMBYFLASZPCAQG-PHIMTYICSA-N 373.457 3.527 0 40 FHAB Cc1ccc(C(=O)N[C@H](C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)C(C)C)cc1 105287398 QAJVIOIVSYSBEL-QVHQYWGISA-N 356.510 3.690 0 40 FHAB Cc1ccc(NC(=O)c2nnc(COC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)s2)cc1 105664640 TXWCMKROZVSAGE-KCQAQPDRSA-N 371.462 3.578 0 40 FHAB CCCN1C(=O)S/C(=C/c2ccc(OC)c(Br)c2)C1=O 6656380 PZXWSSLZJYNUSJ-XYOKQWHBSA-N 356.241 3.904 0 40 FHAB CCCCCn1nc(C(=O)NCc2cccs2)c2ccccc2c1=O 6947767 LLQYZFXBSNVQTR-UHFFFAOYSA-N 355.463 3.578 0 40 FHAB CCC[C@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2ON1c1ccccc1 100891039 YQUPYKFFHHVBLL-BZSNNMDCSA-N 370.836 3.819 0 40 FHAB CCS(=O)(=O)Nc1ccc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1C 106128301 JQLDFJPYLYJXKN-SOUVJXGZSA-N 350.484 3.521 0 40 FHAB O=c1c2ccccc2n(Cc2ccccc2Cl)c(=O)n1-c1ccccc1 10338747 WOSAATSMTSIIBJ-UHFFFAOYSA-N 362.816 3.854 0 40 FHAB CC[C@@]12CCCN3CC[C@@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4CC1)[C@@H]32 8615769 ARQOGCYMPUOVHK-ZDFPQIBNSA-N 354.494 3.726 0 40 FHAB COC(=O)c1ccc2nc(NC(=O)c3cccc(C)c3OC)sc2c1 8904234 BMATVBYIQZHSBX-UHFFFAOYSA-N 356.403 3.652 0 40 FHAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)Nc1ccccc1Cl 25436422 BFDHJFRRBONXFK-HNNXBMFYSA-N 365.886 3.597 0 40 FHAB COc1cccc(NC(=O)CSc2nnc3sc4ccccc4n23)c1 3267172 NVSCOEQQUOKHRN-UHFFFAOYSA-N 370.459 3.683 0 40 FHAB C[C@@H]1c2cccn2CCN1C[C@H](O)COc1ccc(-c2ccccc2)cc1 35267006 ASWMBYQABRPGKY-NQIIRXRSSA-N 362.473 3.972 0 40 FHAB CCOC(=O)c1ccc(-c2nnc(NC(=O)/C=C/c3ccccc3)o2)cc1 20496095 LGZKQXNSKVCFBP-MDWZMJQESA-N 363.373 3.565 0 40 FHAB COC(=O)Nc1cccc(NC(=O)NC[C@H](C)N(C)c2ccccc2)c1 58086321 BBYKLVSFIVBGLR-AWEZNQCLSA-N 356.426 3.511 0 40 FHAB Cc1cccc(OCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c1 12654966 BJOOKPCFSOASHF-UHFFFAOYSA-N 371.824 3.736 0 40 FHAB C[C@@H](NC(=O)CCC(=O)c1cccs1)c1nc(-c2ccc(F)cc2)no1 58193387 MBGCJSBEKRYUCO-LLVKDONJSA-N 373.409 3.778 0 40 FHAB CC[C@H](NC(=O)CCc1c(C)noc1C)c1nc(-c2ccccc2)c[nH]1 58213513 XXMMAJPUDNIMKB-KRWDZBQOSA-N 352.438 3.882 0 40 FHAB CCOc1cccc(CNC(=O)c2cnn(C(C)C)c2C(F)(F)F)c1 58228042 WUZWQKOGEHWCGN-UHFFFAOYSA-N 355.360 3.812 0 40 FHAB Cc1[nH]c2ccc(C(=O)NCc3ccc(Cn4cccn4)cc3)cc2c1C 12625572 HCXAVOKFQIZDNF-UHFFFAOYSA-N 358.445 3.960 0 40 FHAB O=C(NCc1ccccc1CN1CCCC1)N[C@H]1CCOc2ccccc21 45115954 VLSREUWHCRIQLM-FQEVSTJZSA-N 365.477 3.605 0 40 FHAB COc1ccc(NC(=O)C2CCC2)cc1OCc1cn2ccccc2n1 48206368 SLHAFSVULFJQOY-UHFFFAOYSA-N 351.406 3.661 0 40 FHAB O=C(O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 2292191 FKZMKYLPJCPWDZ-UHFFFAOYSA-N 360.369 3.889 0 40 FHAB C[C@@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1cccc(Cl)c1 29764754 YUJSVRIAWQIOPB-CQSZACIVSA-N 356.853 3.953 0 40 FHAB COC(=O)c1n[nH]c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc12 25012781 CWTZAGXRWZSWMY-UHFFFAOYSA-N 364.188 3.909 0 40 FHAB O=C(NCc1cccc(Cl)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 105633354 BGJYONQAECMFHC-CYBMUJFWSA-N 363.244 3.663 0 40 FHAB CCOc1ccccc1NC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1 11916838 LTQMPFJXLAGCKP-UHFFFAOYSA-N 366.373 3.764 0 40 FHAB COc1cc(OC)c(C2=CCN(C(=O)c3cccs3)CC2)c(OC)c1 11918570 NBIBKFOLFLISBX-UHFFFAOYSA-N 359.447 3.703 0 40 FHAB CC1CCN(C(=O)CSc2nnc(NCc3ccccc3)s2)CC1 2646832 UKKIJQDDZMNMJM-UHFFFAOYSA-N 362.524 3.501 0 40 FHAB COc1cccc([C@H](NC(=O)c2cc(C)c(C)s2)c2nccn2C)c1 29987277 SLHHPLDVMHTJGG-KRWDZBQOSA-N 355.463 3.626 0 40 FHAB CN(C)c1ccc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1F 50473582 HRIPOWJTXGHQPP-UHFFFAOYSA-N 369.440 3.657 0 40 FHAB Cc1ccccc1/C=C/c1nc(SCc2ccc(C(N)=O)cc2)n[nH]1 12847529 CSQNLCLMQYGMBE-ZHACJKMWSA-N 350.447 3.675 0 40 FHAB CCN(C(=O)CSc1nnc(-c2ccccc2)n1C)c1ccccc1 3506272 HFKDHLKITUSTTD-UHFFFAOYSA-N 352.463 3.627 0 40 FHAB Cc1ccc(C)c(NC(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 12973480 GTCHZOWSXSSIQI-GOSISDBHSA-N 365.477 3.593 0 40 FHAB CCOc1ccc(CC(=O)OCC(=O)Nc2c(C)cc(C)cc2C)cc1 9033484 MTNFMXNZLWUNQT-UHFFFAOYSA-N 355.434 3.735 0 40 FHAB Cc1cc(C(=O)CCC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)s1 13012286 PMKSZDNGMITMID-NSHDSACASA-N 372.446 3.686 0 40 FHAB COc1cc(NC(=O)[C@@H](C)N(C)Cc2ccccc2Cl)cc(OC)c1 13097099 LPCXYCWFHOCHFH-CYBMUJFWSA-N 362.857 3.816 0 40 FHAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(=O)O)C(=O)N2CCC1=CCCCC1 13567009 ZVPCCAASSKLGPC-CDXJDZJCSA-N 355.434 3.702 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1OC 5447433 GALKKTMLMRGBPC-UVMWJGKXSA-N 358.463 3.937 0 40 FHAB CC(C)(C)C(=O)NCC12CC3CC(C1)CC(CNC(=O)C(C)(C)C)(C3)C2 4616138 FHHMPUMJHYGAMJ-UHFFFAOYSA-N 362.558 3.898 0 40 FHAB COc1ccc(C(=O)Nc2cc(C)nn2-c2cccc(F)c2)cc1OC 4717338 DEWUKLMBHWUTJW-UHFFFAOYSA-N 355.369 3.589 0 40 FHAB COC(=O)N1CCC(NC(=O)N(C)C2CCC(c3ccccc3)CC2)CC1 66364096 KQIATAQMBXHFPU-UHFFFAOYSA-N 373.497 3.585 0 40 FHAB CCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 6938171 QDPCTWMCKOHAMR-UHFFFAOYSA-N 367.858 3.672 0 40 FHAB CCCNC(=O)CSc1nnc(SCc2ccc(C)cc2)s1 7289971 ZKQOBPJQHVUJBE-UHFFFAOYSA-N 353.538 3.757 0 40 FHAB COc1cccc(NC(=O)CN(Cc2ccco2)Cc2cccs2)c1 7580320 YENBNOYRTOVJQP-UHFFFAOYSA-N 356.447 3.991 0 40 FHAB COc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1 7545397 BJXXDXQBMDEKOM-IUODEOHRSA-N 374.820 3.714 0 40 FHAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cccc2ncccc12 15980225 WFXGCZJZASQJKR-UHFFFAOYSA-N 353.809 3.647 0 40 FHAB C[C@H](NC(=O)CN1C[C@H](C)C[C@@H](C)C1)c1ccc(Br)cc1 7811232 SFDKTGSMFOUREQ-MCIONIFRSA-N 353.304 3.604 0 40 FHAB Cc1ccc(Nc2nc(N3C[C@@H](C)C[C@@H](C)C3)nc3c2cnn3C)cc1 17042399 VHOAJMWCLXVVHF-GASCZTMLSA-N 350.470 3.898 0 40 FHAB CC[C@H](C)c1ccccc1NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 8772619 PVBXKAOUOICXRC-AWEZNQCLSA-N 372.490 3.893 0 40 FHAB COc1ccccc1-c1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)cs1 8718290 JGRNNSYKSCBHKG-UHFFFAOYSA-N 374.487 3.736 0 40 FHAB C[C@H]1CN(C(=O)c2ccc(CNC(=O)C3CCCCCC3)cc2)C[C@@H](C)O1 72077256 SJLDNKLJSHIYQW-CALCHBBNSA-N 372.509 3.523 0 40 FHAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCC[C@@H]1c1ccccc1 9895798 XYDRUIUQDAXFEG-SJLPKXTDSA-N 352.459 3.853 0 40 FHAB C[C@@]1(c2ccccc2)C[C@H]1Nc1nn2c(=O)cc(-c3ccccc3)nc2s1 72302133 HHWYGGJHVVACMO-UTKZUKDTSA-N 374.469 3.960 0 40 FHAB O=C(c1cnc(OCC(F)(F)F)c(Cl)c1)N1CCC[C@H]1c1ccc[nH]1 95953864 PIIMAQZLIIQZLS-ZDUSSCGKSA-N 373.762 3.982 0 40 FHAB COCCCNC(=O)[C@@H](Cc1cccc(Br)c1)CC(C)C 75104052 KNDTZRHAFPERKP-OAHLLOKOSA-N 356.304 3.807 0 40 FHAB COC(=O)C[C@@H](NC(=O)c1cc(F)c(F)cc1Cl)c1cccs1 25195036 KBWVHYHYMSTAMH-GFCCVEGCSA-N 359.781 3.714 0 40 FHAB O=C(c1cscn1)N1CC[C@@]2(CCCc3c2n[nH]c3-c2ccsc2)C1 306142910 XNZCEPYBHZJJQN-SFHVURJKSA-N 370.503 3.715 0 40 FHAB O=C1[C@H]([C@@H](O)c2ccc(Cl)cc2)C(C(F)(F)F)=NN1c1ccccc1 3849044 CDTSINXPPVQPJV-KGLIPLIRSA-N 368.742 3.955 0 40 FHAB biogenic CC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 409381936 PIDVHSKXDABWMU-MRXNPFEDSA-N 374.506 3.941 0 40 FHAB CC(=O)N[C@@H]1CCCC[C@]12CN(Cc1ccc(C(C)(C)C)cc1)CCO2 306127114 FORUAOFMHHWLNJ-IRLDBZIGSA-N 358.526 3.634 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)NCCCc1cccc(OC(C)C)c1 219498173 FPJFNLOTJPPHHK-QGZVFWFLSA-N 371.477 3.999 0 40 FHAB CC1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(Cl)c(Cl)c1 71979868 CUVPKIDXIXNODW-DPBGWIHLSA-N 372.248 3.825 0 40 FHAB Cc1cccnc1Nc1ccc([C@@H]2CCCN2C(=O)Cc2ccccn2)nc1 72353066 CILQHPRABAVKHD-FQEVSTJZSA-N 373.460 3.830 0 40 FHAB Cc1nc(Nc2nccs2)cc([C@@H]2CCCN2C(=O)c2ccccc2)n1 72360187 ZSMVZHSBCWTWNW-INIZCTEOSA-N 365.462 3.962 0 40 FHAB c1ccc(CCCN2CCC[C@@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 72377925 NUWVSEHCDVMSJX-LJQANCHMSA-N 374.492 3.822 0 40 FHAB CCSc1ccccc1C(=O)NC[C@@]1(O)CCCc2cc(OC)ccc21 225710629 QKPDFYFCBGHLOQ-NRFANRHFSA-N 371.502 3.761 0 40 FHAB CC(=O)N(CC(C)C)c1nc(C)c(C(=O)Nc2nc(C)c(C)s2)s1 40285856 VFMVOISIKKTHNU-UHFFFAOYSA-N 366.512 3.786 0 40 FHAB CCOC(=O)c1cnc(-c2cccc(N)c2)nc1Nc1cccc(OC)c1 226103937 YIOGAFPCNOUMLS-UHFFFAOYSA-N 364.405 3.655 0 40 FHAB CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224896088 LWZDLUAIMOOCJG-UHFFFAOYSA-N 366.870 3.822 0 40 FHAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN(C)C)cc1 225702795 SPXFOWFURWNOOG-HXUWFJFHSA-N 350.503 3.941 0 40 FHAB COc1ccc(C)cc1NC(=O)CCc1nc(-c2cccc(C)c2)no1 225814108 BBZQDJDAWDNUKG-UHFFFAOYSA-N 351.406 3.933 0 40 FHAB COc1ccc(CNC(=O)CCc2ccc(C)c(C)c2)c(OC)c1OC 225713914 GSKFJEDJHKVZIF-UHFFFAOYSA-N 357.450 3.578 0 40 FHAB CC1CCN(CCCNC(=S)Nc2ccc(Br)cc2)CC1 225435555 LLSDRIZRWDJCQL-UHFFFAOYSA-N 370.360 3.858 0 40 FHAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCOCC)nc1C 225896697 CSTCGFMYIIYQFU-LJQANCHMSA-N 352.475 3.729 0 40 FHAB COc1ccc(-c2ncnc3c2c(C(=O)NCC2CC2)c2ccccn23)cc1 96146676 CHXHRPXAMDZEIZ-UHFFFAOYSA-N 372.428 3.698 0 40 FHAB O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)NCC1CCOCC1 95475350 HNBBZECMMDGLJM-GOSISDBHSA-N 360.885 3.858 0 40 FHAB Cc1ccccc1Nc1nc(CN(CCCO)Cc2ccccn2)cs1 585082902 MIJKMUWHGRDTBG-UHFFFAOYSA-N 368.506 3.975 0 40 FHAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H](c2cccc3nccn23)C1 257313918 UURGXCODFZWDQS-QGZVFWFLSA-N 356.429 3.902 0 40 FHAB COc1ccc(C(=O)NCCCN2c3ccccc3C[C@H]2C)cc1Cl 260746472 XSSASWQCTPGHDW-CQSZACIVSA-N 358.869 3.920 0 40 FHAB COc1ccc(-c2nn3c(CSC(C)C)nnc3s2)cc1OC 1776111064 SQWPLKCLXSRBQP-UHFFFAOYSA-N 350.469 3.512 0 40 FHAB CCOc1cc2c(cc1CN1[C@H](C(=O)O)C[C@@H]3CCCC[C@H]31)O[C@H](C)C2 1615052168 KRVYUIGLBCFLLU-NONVJHHQSA-N 359.466 3.626 0 40 FHAB Cc1noc2nc(-c3ccccc3)cc(C(=O)NCCOC3CCCC3)c12 617113247 GPIZBBIBYYUSOR-UHFFFAOYSA-N 365.433 3.887 0 40 FHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(Cl)cc(Cl)c1 36751590 OYOJTPKTEUULLL-CQSZACIVSA-N 352.217 3.905 0 40 FHAB Cc1nc(CN2CCC[C@@H](COc3ncccc3C(F)(F)F)C2)co1 1775995754 HMZVTUUFEUZWBM-CYBMUJFWSA-N 355.360 3.688 0 40 FHAB COc1ccc(NC(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)cc1 75109221 FRDJNMMRYOYPOZ-IBGZPJMESA-N 363.458 3.510 0 40 FHAB CCCC[C@@H](CC)c1nnc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)s1 5597347 RYFGURUWIFMZAX-UPJWGTAASA-N 351.472 3.827 0 40 FHAB COc1ccc(-c2noc(CCC(=O)Nc3cc(C)cc(C)c3)n2)cc1 11424751 VYUJGMQXRJYHRS-UHFFFAOYSA-N 351.406 3.933 0 40 FHAB Cc1ccc(CN2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)cc1C 19213988 XSSUOCDDCMSFKV-OAQYLSRUSA-N 350.510 3.809 0 40 FHAB Cc1ccnn1C[C@@H](C)C(=O)NC[C@@H](c1cccs1)N1CCCCCC1 19238340 MEZQQAFZRJMDBK-AEFFLSMTSA-N 374.554 3.623 0 40 FHAB C[C@H](CCC(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1)N1CCCC1 19455566 PKNNMMVNPNQCHV-QZTJIDSGSA-N 362.489 3.708 0 40 FHAB CCn1ncc(CN2CCC[C@H](n3c(=O)oc4ccc(Cl)cc43)C2)c1C 19523947 JWMRCXRDNMZIGM-INIZCTEOSA-N 374.872 3.610 0 40 FHAB COCCc1ncc(CN[C@@H]2[C@H]3CCCC[C@@H]3[C@H]2c2ccccc2)cn1 19593866 YKSBZZSRYMGFJO-SEIRJHJZSA-N 351.494 3.728 0 40 FHAB Cc1cc2nc(C)c(CCC(=O)N3CC[C@@H](c4ccccc4)C3)c(C)n2n1 19657192 OTZILRGKRQYESV-LJQANCHMSA-N 362.477 3.603 0 40 FHAB COc1cc(NC(=O)COc2cccc(C)c2C)cc2sc(N)nc12 226312406 LIAUUBNIAQRQHJ-UHFFFAOYSA-N 357.435 3.521 0 40 FHAB CCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(OC)cc2)CC1 7106009 UXIZBUQHRRDYAW-UHFFFAOYSA-N 373.884 3.743 0 40 FHAB COc1ccc2cc(C(=O)NCCc3ccc(-c4cnn(C)c4)cc3)[nH]c2c1 1889278289 ROKNVNCNXFTYMW-UHFFFAOYSA-N 374.444 3.550 0 40 FHAB Cc1cnc(C)c(OC2CCN(c3ccc4c(C)cc(C)nc4n3)CC2)n1 2087145704 TVKCSXNCAANKQT-UHFFFAOYSA-N 363.465 3.701 0 40 FHAB CCOC(=O)c1oc2ccccc2c1NC(=S)NC(=O)c1cccs1 4135339 CLXBCNITHUDUPL-UHFFFAOYSA-N 374.443 3.798 0 40 FHAB COc1ccc(C(=O)N2CCN=C2SCc2ccc(F)cc2)c(OC)c1 4119933 YIIMLJBOCRVWAF-UHFFFAOYSA-N 374.437 3.588 0 40 FHAB O=C(NC[C@@H]1CCCN1c1ccccc1)c1cccc(Br)c1 207991958 OTKKQXYLWCLNSE-KRWDZBQOSA-N 359.267 3.848 0 40 FHAB O=C1N(Cc2ccccc2Cl)c2ccccc2[C@]1(O)Cc1ccccn1 55104581 KSFMZXJNTABHKW-OAQYLSRUSA-N 364.832 3.712 0 40 FHAB O=C(Nc1ccccc1F)[C@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 20729986 BYJNGRZXJLDIGQ-MRXNPFEDSA-N 350.353 3.861 0 40 FHAB N=C1c2ccccc2CN1NC(=O)COc1ccccc1-c1ccccc1 102187680 WRNCJSMGAZGQFL-UHFFFAOYSA-N 357.413 3.605 0 40 FHAB COc1ccc(NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1Cl 102180280 DAYHEIQRPQFHRN-RWMBFGLXSA-N 351.830 3.657 0 40 FHAB C[C@@H](NC(=O)CSc1nnc(-c2cccs2)[nH]1)[C@@H]1C[C@H]2CC[C@H]1C2 102277697 CZXZTPSOFLBYTN-VOAKCMCISA-N 362.524 3.566 0 40 FHAB CC(=O)N1CCC(Nc2ncnc3scc(-c4ccccc4)c23)CC1 32743523 XKQSUCIYKQMITM-UHFFFAOYSA-N 352.463 3.781 0 40 FHAB Cc1cccc(C)c1NC(=O)CS(=O)(=O)Cc1c(F)cccc1Cl 32796798 CUSQUCDBGNHZHL-UHFFFAOYSA-N 369.845 3.649 0 40 FHAB O=C(NCC1(N2CCCCC2)CCCCC1)Nc1ccc2c(c1)OCO2 32869812 BXWYFONRYYBZBF-UHFFFAOYSA-N 359.470 3.726 0 40 FHAB O=C(Oc1ccc2c(c1)OCO2)c1cccc(OCc2cscn2)c1 21743388 SGFJCMUPLIRGRB-UHFFFAOYSA-N 355.371 3.670 0 40 FHAB C[S@@](=O)c1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 22190857 VWZJKMPXYDATSM-SANMLTNESA-N 368.458 3.585 0 40 FHAB CCN(Cc1ccc(Cl)s1)CN1C(=O)NC2(CCC(C)CC2)C1=O 22239877 ZXGHAXCAGYDFGP-UHFFFAOYSA-N 369.918 3.682 0 40 FHAB Cn1c(SCc2nc(-c3ccccc3)no2)nnc1-c1cccs1 667105 ICSCZXJMZHSRIO-UHFFFAOYSA-N 355.448 3.886 0 40 FHAB Cc1ccc(Oc2cc(CNC(=O)[C@H](C)n3ccnc3)ccn2)cc1C 53515436 SHDHCBLILCGPPO-INIZCTEOSA-N 350.422 3.565 0 40 FHAB COc1ccccc1[C@H](CNC(=O)c1ccc(Cl)s1)N1CCCC1 22679778 VSDTYHGJHJKXKX-AWEZNQCLSA-N 364.898 3.977 0 40 FHAB CC(C)N1CCC(NC(=O)c2ccc(C3SCCS3)cc2)CC1 8945858 INJQWJMHEMSUJQ-UHFFFAOYSA-N 350.553 3.768 0 40 FHAB CCCC(=O)Nc1c(C(=O)OCC)[nH]c2ccc(Br)cc12 826592 RZVHHPUHRVFDIM-UHFFFAOYSA-N 353.216 3.846 0 40 FHAB O=C(CSc1nnc(-c2ccc(O)cc2)o1)Nc1ccc(Cl)cc1 863678 WPBJZRDSESRZLZ-UHFFFAOYSA-N 361.810 3.826 0 40 FHAB O=C(Nc1ccc(-n2cccn2)c(Cl)c1)N[C@@H]1CCC[C@H]1n1ccnc1 79019655 CUIOBYDOEYRVNI-NVXWUHKLSA-N 370.844 3.638 0 40 FHAB C[C@H](c1ccco1)N(C)C(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1 79494856 KWWQRCJZGNRPSS-ZIAGYGMSSA-N 370.478 3.720 0 40 FHAB O=C(NCCc1ccccn1)Nc1cccc(COC[C@H]2CCCCO2)c1 47626657 IWOXAHLMNUKZGF-HXUWFJFHSA-N 369.465 3.532 0 40 FHAB C[C@H](Sc1nnc(C(C)(C)C)o1)C(=O)NC12CC3CC(CC(C3)C1)C2 42569722 RMKOSPSIHLUFCL-NZWMYCLXSA-N 363.527 3.933 0 40 FHAB CCOc1ccc2nc(Cl)c(CN(CCOC)C(=O)CC)cc2c1 4881138 YLQKMDQQZODXCM-UHFFFAOYSA-N 350.846 3.672 0 40 FHAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N1CCO[C@@H](c2ccccc2)C1 23896235 DEFHYBFYFYZZPE-MRXNPFEDSA-N 361.873 3.715 0 40 FHAB CC(C)(C)c1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1 23955869 HNGMREOSFHUSGX-UHFFFAOYSA-N 366.505 3.746 0 40 FHAB CCOC(=O)c1c(-n2c(=S)[nH]c3ccccc3c2=O)sc2c1CCC2 6870137 POWKAHQWYQMULA-UHFFFAOYSA-N 372.471 3.775 0 40 FHAB Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 6931513 MRPQDMJXNCAVCP-UHFFFAOYSA-N 362.832 3.515 0 40 FHAB Cc1n[nH]c2c1[C@@H](c1ccc(C(C)C)cc1)C1=C(O)N(C)C(=O)N(C)C1=N2 105827353 ZFYFHOJXHWNHHZ-OAHLLOKOSA-N 365.437 3.784 0 40 FHAB O=C(C[C@H]1Nc2ccccc2OC1=O)Nc1cc(Cl)ccc1Cl 10325498 LOJBNXPBNWHGRV-CYBMUJFWSA-N 351.189 3.722 0 40 FHAB O=C(COc1ccc(Br)cc1Br)c1ccc[nH]1 12567535 CBWTUHNYLVPZPL-UHFFFAOYSA-N 359.017 3.801 0 40 FHAB COc1ccc(NC(=O)[C@H](CC(C)C)N2Cc3ccccc3C2=O)cc1 1383764 GJRQYIHKRCWCEP-IBGZPJMESA-N 352.434 3.704 0 40 FHAB O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1)c1ccc[nH]1 9049151 KFAQYCRRFYDOPZ-UHFFFAOYSA-N 367.455 3.750 0 40 FHAB CCOC(=O)C1=C(C)Nc2nc(-c3ccccc3)nn2[C@@H]1c1ccc(C)o1 1467331 NULSEGXUDXGBMW-QGZVFWFLSA-N 364.405 3.699 0 40 FHAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)CCC(=O)c2ccc(F)cc2)cc1 3278617 OFZRLMHECOKAMC-CQSZACIVSA-N 371.408 3.921 0 40 FHAB CCCCn1c(=O)c(C(=O)NCc2ccc(F)cc2)c(O)c2ccccc21 100675216 KYRWNVLPCZWSTQ-UHFFFAOYSA-N 368.408 3.576 0 40 FHAB O=C(CSc1nnc(Nc2ccccc2)s1)NCc1cccs1 3385351 FRTRHJHFGOPCKQ-UHFFFAOYSA-N 362.505 3.752 0 40 FHAB Nc1c(Cl)cc(NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)cc1Cl 58357480 HSOOJLCDHREVKE-AWEZNQCLSA-N 368.195 3.846 0 40 FHAB CSC[C@H](C)N(C)Cc1nc(C(C)C)cc(N(C)[C@@H](C)CSC)n1 84622454 SFZDKWXQLFPNND-GJZGRUSLSA-N 370.632 3.971 0 40 FHAB Cc1cccc(C(C)(C)CNC(=O)C2CCN(C(=O)c3ccco3)CC2)c1 58403570 PGEBGGGUAUXERJ-UHFFFAOYSA-N 368.477 3.534 0 40 FHAB COc1ccc(-c2csc3ncnc(N4CCC[C@H](C(=O)O)C4)c23)cc1 3391604 IZDHALAILVWJKW-ZDUSSCGKSA-N 369.446 3.668 0 40 FHAB O=C1OCCN1CCCSc1nc(-c2ccco2)nc2ccccc12 48304323 HOGPIEIAJBFLFH-UHFFFAOYSA-N 355.419 3.824 0 40 FHAB O=C(Cc1ccccc1)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 12861769 NYUDVHSLYAZNAZ-UHFFFAOYSA-N 364.424 3.992 0 40 FHAB O=C(COC(=O)c1ccc(F)c(Cl)c1)NCc1ccc(F)cc1Cl 51354079 OCUDOOHGSJJGJQ-UHFFFAOYSA-N 374.170 3.745 0 40 FHAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2scnc2c1 11865747 NEQDTZJVYQPGOX-UHFFFAOYSA-N 351.475 3.691 0 40 FHAB Cc1csc(NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)n1 46811185 JSRIEPNLHQYQOY-LLVKDONJSA-N 370.400 3.720 0 40 FHAB C[C@@H](Nc1cnn(-c2ccccc2)c(=O)c1Cl)c1ccc2c(c1)OCO2 12922898 LLMUKADHODZOME-GFCCVEGCSA-N 369.808 3.788 0 40 FHAB CC(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)s1 13003970 HHSOAUGPDKRYOC-AWEZNQCLSA-N 350.871 3.637 0 40 FHAB COc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2)cc1 13122616 BKHJNSOULRVGNE-IBGZPJMESA-N 365.458 3.964 0 40 FHAB CCSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc2ccccc2c1 3905817 SGOMEOKUYPMGAR-GOSISDBHSA-N 370.474 3.764 0 40 FHAB Cc1cc(C)n(-c2nc(C)c(Br)c(N3CCCCCC3)n2)n1 13624795 QEPSVMQMWYTSRB-UHFFFAOYSA-N 364.291 3.730 0 40 FHAB CCCCCn1c(O)c(C(=O)Nc2cccc(C)n2)c(=O)c2ccccc21 6077903 AHTQISNIBQGPIQ-UHFFFAOYSA-N 365.433 3.853 0 40 FHAB Cc1cc(Cl)cc(C)c1OCC(=O)Nc1ccc(N2CCOCC2)cc1 6248713 PRXZGHZBGPLZAF-UHFFFAOYSA-N 374.868 3.811 0 40 FHAB O=C(COc1ccc(Cl)cc1Br)NCc1ccccc1F 6260569 ZOLUSSFQQLZGCF-UHFFFAOYSA-N 372.621 3.937 0 40 FHAB Cc1sc2ncnc(N[C@H](C)c3ccc(S(C)(=O)=O)cc3)c2c1C 14118056 AXSQYXRGAUKYLT-LLVKDONJSA-N 361.492 3.885 0 40 FHAB CCOc1ccc(C(=O)c2ccccc2C(=O)NC(C)C)cc1OCC 14231385 PNPGMYCIJNBVPG-UHFFFAOYSA-N 355.434 3.853 0 40 FHAB C[C@H](OC(=O)Cc1c(F)cccc1Cl)C(=O)Nc1ccc(Cl)cn1 5508438 JKKHJPKWRVAYNF-VIFPVBQESA-N 371.195 3.640 0 40 FHAB O=C(Cc1ccsc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 5512423 JFXVLFOVEQNLFV-UHFFFAOYSA-N 352.463 3.914 0 40 FHAB Cc1cc(SCC(=O)Nc2nccs2)nc(-c2cccc(F)c2)n1 67257482 RLZZTFVEKBDHKX-UHFFFAOYSA-N 360.439 3.778 0 40 FHAB CCOC(=O)c1sc2cccc(F)c2c1COc1ccc(C(N)=O)cc1 7541228 VUCIHWCIEHYLDY-UHFFFAOYSA-N 373.405 3.895 0 40 FHAB CCc1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)s2)N(C)C)cc1 16088156 VCKHRWXSKNWLES-CQSZACIVSA-N 372.943 3.545 0 40 FHAB C[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1cccc(N2CCCC2=O)c1 68661463 JBMFEHYYSNLAHI-ZDUSSCGKSA-N 365.408 3.925 0 40 FHAB O=C(c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)N1CCCCCC1 8181446 KKOXHGQSNPAYNU-UHFFFAOYSA-N 366.392 3.643 0 40 FHAB Cc1ccc(-c2nc(C[S@@](=O)[C@@H](C)C(=O)NC(C)(C)C)cs2)cc1 71801235 YIMHNESEIZSSNA-RZFZLAGVSA-N 364.536 3.670 0 40 FHAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2cccc(OC)c2)c1C 20035698 MPWRLSKGEZQNMD-LJQANCHMSA-N 371.433 3.976 0 40 FHAB Cc1ccc(C[C@@H]2CCCN2C(=O)NCCn2cnc3ccccc32)cc1 503009343 NZLDENGBZLDTQG-IBGZPJMESA-N 362.477 3.761 0 40 FHAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2)N(C)C(=O)N1C 1044184 JNRAVYLVNPXRLZ-IBGZPJMESA-N 350.418 3.742 0 40 FHAB biogenic Cc1ccccc1[C@H]1CN(CCOc2cccc(C(=O)O)c2)[C@@H](C)CO1 517381485 KXVCJIBBGJOWPY-OXJNMPFZSA-N 355.434 3.534 0 40 FHAB Cc1nn(C)c(C)c1N1C(=O)c2cccc3c(N4CCCC4)ccc(c23)C1=O 408531791 LRKAVBLXNICBIO-UHFFFAOYSA-N 374.444 3.591 0 40 FHAB C[C@]1(C(=O)Nc2ccc(-c3ccccc3F)nn2)OCCc2ccccc21 1539457389 BTUZASOARKKAQP-NRFANRHFSA-N 363.392 3.709 0 40 FHAB Cc1nnc([C@@H]2CCCN(C(=O)NCc3ccc(Cl)cc3)C2)s1 38666571 RMPQSCFKMAIPGV-CYBMUJFWSA-N 350.875 3.589 0 40 FHAB O=C(NCCc1ccccc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38832935 MKZQSSZOHVPUPI-LJQANCHMSA-N 356.897 3.911 0 40 FHAB O=C(COc1ccccc1-c1nc(-c2ccccc2)no1)NC1CCCC1 35476116 BYSNZVPXWMZJTJ-UHFFFAOYSA-N 363.417 3.841 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2N2CCCC2)cc1 72215991 IMCVHJUIGVZIQO-LJQANCHMSA-N 371.506 3.516 0 40 FHAB O=C(O)[C@@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 218473221 KTOWDRUKIHSHEU-KKUMJFAQSA-N 371.241 3.634 0 40 FHAB CCOc1ccc(S(=O)(=O)N(CC)c2ccc(OC)c(Cl)c2)cc1 224595211 QEEGKMOFQHYOOP-UHFFFAOYSA-N 369.870 3.963 0 40 FHAB CCc1ccc(CC(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1 224725051 BWHUUKNQJZZBCB-UHFFFAOYSA-N 353.447 3.957 0 40 FHAB Cc1nc(-c2ccccc2Cl)sc1C(=O)N[C@H](C(=O)O)C(C)C 40267871 BXGPUMVMAFPBJK-LBPRGKRZSA-N 352.843 3.611 0 40 FHAB CCOC(=O)c1cccnc1NC[C@H](c1ccccc1OC)N1CCCC1 48314373 DUOVXFPGFLCTTM-GOSISDBHSA-N 369.465 3.516 0 40 FHAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1 223800149 ZIIAJFOMHLPROO-UHFFFAOYSA-N 361.463 3.707 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 222995591 HHELDPBHACCQDV-OAQYLSRUSA-N 366.505 3.789 0 40 FHAB O=C(NC1CCN(c2cc(-c3ccccc3)n[nH]2)CC1)c1cccs1 98212564 APIZWVXPFPTAQN-UHFFFAOYSA-N 352.463 3.537 0 40 FHAB Cc1cnc(C(=O)N2CCC[C@H](Cc3ccc4ncccc4c3)CC2)cn1 257321248 WAVHXTOOFBZJDW-KRWDZBQOSA-N 360.461 3.818 0 40 FHAB O=C(NC[C@H](c1ccco1)N1CCSCC1)c1ccc(Cl)s1 253406503 UQWXFEKCASYFLI-LLVKDONJSA-N 356.900 3.514 0 40 FHAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)S1 260772315 NITPBPHDNPWEKE-MDASCCDHSA-N 361.474 3.857 0 40 FHAB CC(C)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1CCC1)C2 585107148 PZRBJGSAOLELPR-JOCHJYFZSA-N 364.493 3.576 0 40 FHAB C[C@@H](c1ccccc1)N(C)C(=O)c1cc(S(C)(=O)=O)ccc1Cl 36728967 QOQIXWVHMQARSW-LBPRGKRZSA-N 351.855 3.577 0 40 FHAB O=C(NCc1ccccc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 824966 VHCQNSQBUPVKBY-RGEXLXHISA-N 362.454 3.835 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2cccc(C)c2)cc1 3185256 OJKCKNHTHLKMIM-SDNWHVSQSA-N 372.490 3.677 0 40 FHAB Cc1cc2nc([C@@H]3CCCN3C(=O)c3n[nH]c4c3CCCC4)[nH]c2cc1C 12116117 KUILFGOMXWCBAT-SFHVURJKSA-N 363.465 3.759 0 40 FHAB COc1ccc(CNc2n[nH]c3nc(C)cc(C(F)(F)F)c23)cc1OC 12221473 SLOACAIQCSTCBN-UHFFFAOYSA-N 366.343 3.914 0 40 FHAB COc1ccc(OC[C@@H]2[C@@H]3CC[C@@H](C3)N2C(=O)c2sc(C)nc2C)cc1 12408114 GLSHSTPPYBNSSP-RVKKMQEKSA-N 372.490 3.841 0 40 FHAB Cc1ccc(NC(=O)CN(C)CCC(=O)Nc2cccc(Cl)c2)cc1 12813997 WGMQPASBOIFJKX-UHFFFAOYSA-N 359.857 3.548 0 40 FHAB c1ccc(-c2cnc(N3CCN4CCC[C@@H]4C3)nc2-c2cccs2)nc1 13268022 PBHKONYQZRFLEG-OAHLLOKOSA-N 363.490 3.552 0 40 FHAB CCOc1ccc2[nH]c(=O)c(CNc3cc(OC)cc(OC)c3)cc2c1 13561369 RUUKSPBTZXIPAB-UHFFFAOYSA-N 354.406 3.556 0 40 FHAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(SC)cc2)c1C 13668021 VTBUAXIBBVWFAO-UHFFFAOYSA-N 365.476 3.694 0 40 FHAB Cc1cc(OCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)ccc1Cl 14226543 XZCJNERXXCWLFE-ZDUSSCGKSA-N 361.825 3.676 0 40 FHAB O=C(c1cc([C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)no1)N1CCCC1 19334019 GULACEZZPBRNHM-MRXNPFEDSA-N 373.884 3.944 0 40 FHAB Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@@H](COc3ccccc3F)C2)n1 19572779 YYLMWLAQXGJFCU-QZTJIDSGSA-N 373.472 3.908 0 40 FHAB Cc1cc(C)n(CCC(=O)N(C)c2nc3c(s2)CCc2oc(C)cc2-3)n1 19573809 BTAUUMQVIADVBG-UHFFFAOYSA-N 370.478 3.677 0 40 FHAB COc1ccccc1CN(C(=O)C1[C@H]2CCCC[C@@H]12)C1CCN(C)CC1 19588148 LLMXNIHECUUSQX-PMSBKCLSSA-N 356.510 3.554 0 40 FHAB CCc1nc(SCC(=O)N2CCc3ccccc3C2)c2ccccc2n1 1332549 JUWOVLDPFALXAA-UHFFFAOYSA-N 363.486 3.869 0 40 FHAB Cc1cc([C@@H](C)NC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)c(C)s1 152210773 AFGUYADSSLVAEB-GDBMZVCRSA-N 373.526 3.526 0 40 FHAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(OC(F)(F)F)cc1 6372814 HBOJXLONUTUWDW-KRXBUXKQSA-N 351.280 3.966 0 40 FHAB CCc1cc(OCC2CCN(c3nc4cnccc4s3)CC2)nnc1C 1888903776 AIJMHNWZAREGFP-UHFFFAOYSA-N 369.494 3.648 0 40 FHAB O=c1c2ccc(F)cc2ncn1CC1CCN(Cc2cccc(F)c2)CC1 1888962031 XMSLPKFLUYFIIA-UHFFFAOYSA-N 369.415 3.587 0 40 FHAB Cc1noc(C)c1COC(=O)c1ccccc1N(C)C(=O)c1cccs1 21735633 HGJOXGMNLMERGG-UHFFFAOYSA-N 370.430 3.987 0 40 FHAB O=C(COc1ccccc1)Nc1c2c(nn1-c1ccccc1)CSC2 4223295 KHZWRBLHWNDHHU-UHFFFAOYSA-N 351.431 3.637 0 40 FHAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)c3ccc(C)cc3)ccc21 17286825 UEGJJNLGSKSNRJ-UHFFFAOYSA-N 372.490 3.740 0 40 FHAB O[C@@H](COC[C@H]1C[C@H]2CC[C@H]1C2)CN1CCC(Cc2ccccc2)CC1 106219872 LEDFADQRHWJSEN-MYDTUXCISA-N 357.538 3.755 0 40 FHAB O=C(c1ccc2nsnc2c1)N(Cc1ccsc1)Cc1ccccn1 44445997 KLYSTSSIZBSLGI-UHFFFAOYSA-N 366.471 3.990 0 40 FHAB O=C(NCc1ccc(-c2ccoc2)nc1)Nc1nc2c(s1)CCCC2 575414362 GFNSSMRFVZJPFP-UHFFFAOYSA-N 354.435 3.999 0 40 FHAB COc1ccc(CN2CCCN(C(=O)Nc3cccc(C)c3)CC2)cc1 10413531 HFKHDGPLNVGWMP-UHFFFAOYSA-N 353.466 3.743 0 40 FHAB O=C(Nc1cccnc1-n1cccn1)c1ccc(Oc2ccccc2)nc1 40141950 UKOBSVXZKNVVSN-UHFFFAOYSA-N 357.373 3.707 0 40 FHAB CCc1noc(C)c1C(=O)N(CC)CC(=O)Nc1cc(Cl)ccc1C 32717100 KFFXOLXBDVJGPV-UHFFFAOYSA-N 363.845 3.608 0 40 FHAB O=C(Oc1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1cccs1 102592428 FQYXPXNMCLHVLW-MWDDYTRKSA-N 367.426 3.503 0 40 FHAB OC1=C2C(=Nc3ncnn3[C@@H]2c2cccnc2)C[C@H](c2ccc(F)cc2)C1 102588663 QUMQXKKJFWOELJ-IFXJQAMLSA-N 361.380 3.877 0 40 FHAB O=C1CC(c2ccc(Cl)cc2)CC(=O)N1c1ccc2c(c1)OCCO2 32985331 KHKBGFWJXLBZGS-UHFFFAOYSA-N 357.793 3.548 0 40 FHAB CCOc1ccc(NC(=O)COc2nc(CC)nc3ccccc23)cc1 33141697 KYKXQVMLJHHTBN-UHFFFAOYSA-N 351.406 3.608 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(C)c1CNC[C@@H](c1ccco1)N(C)C 22095674 ALRDILRBXOZIIS-IBGZPJMESA-N 356.445 3.614 0 40 FHAB Cc1cc(C)nc(SCCC(=O)Nc2ccc(Br)cc2)n1 645158 YTBMTGKRXXUTKI-UHFFFAOYSA-N 366.284 3.977 0 40 FHAB CNC(=S)N(Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 884654 XYBXSWINJROLNN-UHFFFAOYSA-N 371.531 3.713 0 40 FHAB O=C1c2ccccc2C(=O)N1CC(=O)N(c1ccccc1)c1ccccc1 910090 JTOAGRAGHQZGLP-UHFFFAOYSA-N 356.381 3.648 0 40 FHAB Cc1cc2cc3c(cc2nc1SCC(=O)N1CCCC[C@H]1C)OCCO3 928325 JDCRXPRDVOHLEQ-CQSZACIVSA-N 372.490 3.808 0 40 FHAB CCC(CC)C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(F)cc1)CC2=O 2410272 DTNHSVBPPGZQTA-AWEZNQCLSA-N 355.413 3.903 0 40 FHAB COc1cc(/C=C/C(=O)OCc2ccc(Br)cc2)ccc1O 3232696 ITGNKDAFBDTKRS-WEVVVXLNSA-N 363.207 3.920 0 40 FHAB C[C@@H](NC(=O)COC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 3318758 LZLOOYWEOQYXRD-GFCCVEGCSA-N 351.324 3.740 0 40 FHAB CN(C(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl)c1ccccc1 3367225 VGYRZEFUXJMDDZ-UHFFFAOYSA-N 373.623 3.862 0 40 FHAB CSCC[C@H](NC(=O)c1cccc(N(C)C)c1)c1nc2ccccc2[nH]1 3378854 BSIJAGWINPNUCM-SFHVURJKSA-N 368.506 3.853 0 40 FHAB Cc1cccc(C(=O)OCC(=O)Nc2ccc(Br)cc2C)c1 3442969 ORXDAFHJBQGHCP-UHFFFAOYSA-N 362.223 3.861 0 40 FHAB C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)NC4CCCC4)cc3c2C1 3538226 XIENMPFHMJPOLQ-ZDUSSCGKSA-N 354.450 3.508 0 40 FHAB COC(=O)[C@H](C)Oc1ccc2c(C)c(-c3ccc(OC)cc3)c(=O)oc2c1 4340319 DVWFGFMQGPXMDX-ZDUSSCGKSA-N 368.385 3.717 0 40 FHAB biogenic Cc1cc(NC(=O)NCc2ccccc2)c(=O)n(Cc2ccc(F)cc2)c1 5000863 LQSAJWOWCPMLDA-UHFFFAOYSA-N 365.408 3.666 0 40 FHAB COCCOc1cc(-n2nnnc2-c2ccccc2)c(Cl)cc1Cl 5355888 AJGYIMQSZSFDNX-UHFFFAOYSA-N 365.220 3.661 0 40 FHAB CCOC(=O)c1ccc(O[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)cc1 5429041 QXHXNGKADRLECB-FOIQADDNSA-N 367.445 3.824 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2C)cc1 6315680 NLAQGBLYSMEQLW-UHFFFAOYSA-N 368.252 3.761 0 40 FHAB Cc1ccc(-c2noc(CN(C)C(=O)COc3ccc(C)cc3C)n2)cc1 6661429 CWJPGYDVCZPNCA-UHFFFAOYSA-N 365.433 3.699 0 40 FHAB O=C(COC(=O)COc1ccc(Cl)cc1Cl)NC1CCCCCC1 6886507 OJODYEXSGHDULX-UHFFFAOYSA-N 374.264 3.754 0 40 FHAB CCc1ccc(-n2c(C)nnc2SCC(=O)N2CCCCCC2)cc1 6943801 FKMUBMJRWQNIGE-UHFFFAOYSA-N 358.511 3.633 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1 7881780 ALIHDSNHXADKPP-HNNXBMFYSA-N 370.836 3.843 0 40 FHAB O=C(O)C[C@H]1Sc2nc(-c3ccccc3)cn2N=C1c1cccs1 8134341 FBCXCIABHYIJQS-CQSZACIVSA-N 355.444 3.813 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(-c2ccc(C=O)o2)cc1 8222012 PFQWYMOKXAXLLO-KDOFPFPSSA-N 369.417 3.611 0 40 FHAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(C)Cc1ccc(Cl)s1 8226202 OZTNQWCUQSDAPW-JTQLQIEISA-N 352.843 3.589 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ncc2c(n1)CCCC2=O 9287375 VDZGWUXEWVEMKP-UHFFFAOYSA-N 351.193 3.946 0 40 FHAB Cc1ccnn1-c1ccc(C(=O)Nc2ccccc2N2CCCC2=O)cc1 9315330 PBOPDWWSWKLZMF-UHFFFAOYSA-N 360.417 3.560 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Nc1ccc2c(c1)OCO2 9336431 QGNOXFBWIXRGCQ-LLVKDONJSA-N 362.813 3.825 0 40 FHAB Cc1csc2nc(CN3CCC(Cc4ccccc4)CC3)cc(=O)n12 9496006 YUSDYMUGXAFSAT-UHFFFAOYSA-N 353.491 3.519 0 40 FHAB Cc1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)on1 10029638 VHRQESATPCZNGA-UHFFFAOYSA-N 351.410 3.610 0 40 FHAB CS(=O)(=O)Nc1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1 10314865 KYMUDZQTCHAGRW-UHFFFAOYSA-N 359.234 3.617 0 40 FHAB Cc1cccc(OCC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c1 11140114 PNSQYBRDKBTAEQ-UHFFFAOYSA-N 358.825 3.793 0 40 FHAB COc1ccc(-c2c(C)nn3c(NC[C@H]4CCCO4)c(C)c(C)nc23)cc1 12113355 BXUPZAPARBOATF-GOSISDBHSA-N 366.465 3.921 0 40 FHAB CCOc1ccccc1CN1CCC[C@@H](n2c(=O)oc3ccccc32)C1 12119116 JNWQBDJYDCYTPV-QGZVFWFLSA-N 352.434 3.830 0 40 FHAB COCc1cc(C)nc2sc(-c3nnc(S)o3)c(-n3cccc3)c12 12445396 STVYGUGIPMMTTL-UHFFFAOYSA-N 358.448 3.881 0 40 FHAB C[C@H](NC(=O)CN(C)Cc1ccccc1Br)c1cccs1 12886935 SMNKGPCFTJFSAX-LBPRGKRZSA-N 367.312 3.820 0 40 FHAB O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCc3ccccc32)CC1 12892329 FEHMLEALTHVTJQ-ZHACJKMWSA-N 360.457 3.528 0 40 FHAB Cc1nn(CC(C)C)c(C)c1CC(=O)NCCc1c[nH]c2ccccc12 12939555 KCYKILGEGOAORD-UHFFFAOYSA-N 352.482 3.539 0 40 FHAB Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@@H](c1cccs1)N(C)C 13003982 JITBUOKWNKIJBB-KRWDZBQOSA-N 369.490 3.673 0 40 FHAB CCn1c(S[C@@H](C(=O)N2CCCC2)c2ccccc2)nnc1C1CC1 14023071 NQPYTMVWTRPYAL-MRXNPFEDSA-N 356.495 3.631 0 40 FHAB Cc1ccc(C)c(C(=O)CCC(=O)NCC(=O)Nc2cccc(C)c2C)c1 14077535 MNFZMEVBOUZJRL-UHFFFAOYSA-N 366.461 3.638 0 40 FHAB COc1cc(Cl)cc2c1OC=CC(C(=O)NCCc1ccccc1)=C2 15838712 ZLPVOBRGEJQMNQ-UHFFFAOYSA-N 355.821 3.997 0 40 FHAB Cc1cc(=O)oc2cc(OS(=O)(=O)c3cccs3)c(Cl)cc12 16087483 FVOVJPGXGMHDLD-UHFFFAOYSA-N 356.808 3.584 0 40 FHAB Cc1nc(-c2ccc(NC(=O)CCn3c(C)csc3=O)cc2)cs1 16505977 ZCVSJPUHAPADQB-UHFFFAOYSA-N 359.476 3.679 0 40 FHAB CCCCc1c(C)nc(N)nc1N1N=C1SCCOc1ccccc1 16848242 UUVNOGXHCWDOGT-UHFFFAOYSA-N 357.483 3.613 0 40 FHAB COc1cccc([C@H]2CCCN2Cc2sc(N3CCOCC3)nc2C)c1 19715763 DGPKSPGLGILZIY-GOSISDBHSA-N 373.522 3.634 0 40 FHAB CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2C)c(Cl)c1 20046015 MSDDYQIJIIJSQP-UHFFFAOYSA-N 367.854 3.767 0 40 FHAB CCOc1cccc(CNCC2CCNCC2)c1OCc1ccccc1 20189927 UUHVNCSYYUMYIW-UHFFFAOYSA-N 354.494 3.754 0 40 FHAB CCn1cc(C(=O)Nc2cc(F)ccc2F)c(=O)c2cc(OC)ccc21 22236099 YWJBVIOBLHUWCQ-UHFFFAOYSA-N 358.344 3.561 0 40 FHAB CC(=O)c1cc2c(cc1NC(=O)c1nc(-c3ccccc3)oc1C)OCO2 22916348 XZOPVJMOOPETSH-UHFFFAOYSA-N 364.357 3.834 0 40 FHAB COc1ccccc1C(=O)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 23140301 IVHGNNXTSVRVLK-ZDUSSCGKSA-N 369.446 3.827 0 40 FHAB O=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 23730898 JTWXPMVUBZPSAU-UHFFFAOYSA-N 364.367 3.790 0 40 FHAB Cc1cn2c(CC(=O)Nc3ccc(Br)c(C)c3)csc2n1 24993604 IYXARUZESHDFCQ-UHFFFAOYSA-N 364.268 3.956 0 40 FHAB Cc1ccsc1CNC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 26175991 BBIMVWPQANWJIH-CYBMUJFWSA-N 357.479 3.965 0 40 FHAB COc1ccc([C@]2(O)CN(c3cccc(Cl)c3)C3=[N+]2CCCCC3)cc1 27525086 SOWLIQVULXEGAZ-OAQYLSRUSA-N 371.888 3.999 0 40 FHAB Cc1cc(/C=C/c2ccccc2)[n+](CCCS(=O)(=O)O)c2ccccc12 28293980 PBIUGLGXQKRDPH-OUKQBFOZSA-O 368.478 3.884 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@H]2CCCc3ccccc32)C1 30057524 ZJEUNFFEILVQDB-WMZOPIPTSA-N 358.482 3.827 0 40 FHAB NC(=O)COc1cccc(C(=O)Nc2ccc(SC3CCCC3)cc2)c1 30182074 ZGWIZJHKNHLUBH-UHFFFAOYSA-N 370.474 3.838 0 40 FHAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](CN(C)C)c2ccccc2)c1C 30499316 AMUGPCOEYUPMCG-LJQANCHMSA-N 360.523 3.501 0 40 FHAB Cn1cc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c2ccccc21 30506276 RFXWUCSSDFUQSB-IBGZPJMESA-N 363.417 3.548 0 40 FHAB COc1ccc(NC(=O)c2c(C)nc3ccccc3c2C(=O)O)c(OC)c1 30836254 ZJYYXPZGFGWWKT-UHFFFAOYSA-N 366.373 3.511 0 40 FHAB CCc1ccccc1NC(=O)CNC(=O)c1cc2cc(C)ccc2nc1C 32854557 NMLFCYHQWGBRFA-UHFFFAOYSA-N 361.445 3.783 0 40 FHAB Cc1cc2cc3c(N)c(C(=O)NC[C@@H]4CCCO4)sc3nc2cc1C 35313148 OEBVRYFUBPHSSP-ZDUSSCGKSA-N 355.463 3.557 0 40 FHAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H]2c2ccc(C)cc2)c1 36620740 PHLRYQMLRRDMCR-KRWDZBQOSA-N 361.463 3.538 0 40 FHAB COC(=O)c1ccc(CS(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 38753443 QCVQPRIFYCQHQQ-UHFFFAOYSA-N 374.245 3.722 0 40 FHAB CN(C)C(=O)[C@H](c1ccccc1)N(C)Cc1ccc(C(F)(F)F)cc1 39987538 VISYMXFEPFLJQJ-KRWDZBQOSA-N 350.384 3.967 0 40 FHAB O=C(Nc1ccccc1N1CCCCC1)[C@H]1CC(=O)N(c2ccccc2)C1 40074159 GYCVINOKGOAZHG-KRWDZBQOSA-N 363.461 3.669 0 40 FHAB CC(=O)NC1(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)CCCCC1 40151361 RGUXFOHOPVNMJV-LBPRGKRZSA-N 356.388 3.722 0 40 FHAB CCN(CC)S(=O)(=O)c1cc(Br)c2cccc3c2c1CC3 41105683 KOESJWAITQYEAC-UHFFFAOYSA-N 368.296 3.731 0 40 FHAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)Nc1c(F)cccc1F 42381229 PEOHBEAZNXTKFX-UHFFFAOYSA-N 363.345 3.990 0 40 FHAB COc1ccc([C@H](C)OC(=O)/C=C/c2cn(Cc3ccccc3)nn2)cc1 48312256 DQNYQTLCIBIFCQ-ISBHARSQSA-N 363.417 3.653 0 40 FHAB COc1ccc(CN(C(=O)CCNc2ccc(OC)cc2)C2CC2)cc1 48354531 QUTSVPJIWGOKGL-UHFFFAOYSA-N 354.450 3.697 0 40 FHAB O=C(CCCOCCc1ccccc1)Nc1cccc(N2CCOC2=O)c1 52567165 KJARAMARQLCCHQ-UHFFFAOYSA-N 368.433 3.621 0 40 FHAB CCc1nc(CSc2nnc(-c3ccc(N(CC)CC)cc3)n2C)no1 52890214 JLDLZNWNRRTSMX-UHFFFAOYSA-N 372.498 3.566 0 40 FHAB C[C@H](NCc1nnnn1-c1ccc(C(F)(F)F)cc1)c1cccc(F)c1 54153009 VEPCKMKCCLHIAN-NSHDSACASA-N 365.334 3.671 0 40 FHAB C[C@H](Sc1nncs1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 55016209 PFOXECYLTQSXHL-ZANVPECISA-N 353.900 3.940 0 40 FHAB O=C(CNc1cccc(F)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 57676546 PEUOJURUVWIOLX-GOSISDBHSA-N 370.424 3.763 0 40 FHAB C[C@H](C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1)N1CCc2ccccc21 58045695 RJYXGWTWUYOZRJ-MRXNPFEDSA-N 372.472 3.630 0 40 FHAB COc1ccc(C(=O)Nc2[nH]nc(-c3ccncc3)c2C)cc1OC(F)F 58228641 BAJBQBWKBHNZQK-UHFFFAOYSA-N 374.347 3.642 0 40 FHAB CCOc1c(OC)cc(CNC(=O)Nc2ccc(F)cc2F)cc1OC 58231348 IDLMGHIZGJNVQE-UHFFFAOYSA-N 366.364 3.702 0 40 FHAB CC[C@H](Sc1nnc(-c2ccco2)n1CCC(N)=O)c1ccccc1 58283384 DDWZKZQARLIWPC-HNNXBMFYSA-N 356.451 3.657 0 40 FHAB Cn1/c(=N/C(=O)c2ccc(-c3cnco3)cc2)[nH]c2cc(Cl)ccc21 63982452 FKYQGXNXIOACMW-UHFFFAOYSA-N 352.781 3.556 0 40 FHAB CC(C)CN1CCC[C@@H]([C@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 72330471 ZRRGUCMWVIAMDN-OFNKIYASSA-N 365.521 3.850 0 40 FHAB O=C(c1cc[nH]n1)N1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 72349806 IAJPNUNNLBZUPZ-MRXNPFEDSA-N 364.424 3.554 0 40 FHAB Cc1nccn1-c1nccnc1[C@@H]1CCCN(CCCc2ccccc2)C1 72350648 DBUNONFUUDPDFZ-HXUWFJFHSA-N 361.493 3.783 0 40 FHAB CC(C)OC(=O)[C@H](C)CNC(=O)c1cc2c(s1)-c1ccccc1CC2 75148527 HUPHCDHAWAIWRN-CYBMUJFWSA-N 357.475 3.831 0 40 FHAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)N1CCC(CO)CC1 77857251 DEXWAGHRYQDCNW-FQEVSTJZSA-N 356.441 3.523 0 40 FHAB CN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC2CC2)CC1 79110263 IGDANONOWMSENZ-UHFFFAOYSA-N 354.416 3.786 0 40 FHAB C[C@@H](OC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)[C@@H]1CCOC1 89239879 LGGODUKHCWIDKT-GHMZBOCLSA-N 355.221 3.761 0 40 FHAB Cc1cc(CN2CCN(c3ccc4c(Cl)ccc(C)c4n3)CC2)no1 95460592 ARWIWLWCBVXCMX-UHFFFAOYSA-N 356.857 3.815 0 40 FHAB CCOc1ccc([C@H](N)c2n[nH]c(-c3cccc(Cl)c3)n2)cc1OC 95534230 PBXLIBICRJVABI-INIZCTEOSA-N 358.829 3.581 0 40 FHAB C[C@@H](NC(=O)CNC(=O)c1cccc(F)c1)c1cccc(Cl)c1Cl 95960200 HIWKSDRJEIMJJS-SNVBAGLBSA-N 369.223 3.740 0 40 FHAB C[C@@H](CCCOc1ccccc1C(N)=O)N[C@H](C)c1ccc(F)cc1F 97162447 PUIDXAXJSWAQKH-UONOGXRCSA-N 362.420 3.962 0 40 FHAB CC(C)c1ccc(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2F)cc1 98073362 BQZJCZQDFRDPIR-UHFFFAOYSA-N 370.833 3.502 0 40 FHAB CC1CCN(C[C@H]2CCCN(C(=O)Nc3cnc(C(C)(C)C)nc3)C2)CC1 103237264 QRBNZJKSCUZHAC-QGZVFWFLSA-N 373.545 3.750 0 40 FHAB Cc1c(C(=O)Nc2ccccc2C(C)C)cccc1N(C)S(C)(=O)=O 222432989 TTXVXHOMSKIDOJ-UHFFFAOYSA-N 360.479 3.767 0 40 FHAB COc1cc2c(cc1S(=O)(=O)Nc1c(F)cccc1F)CCCC2 224123026 KGECQIXERZFRHQ-UHFFFAOYSA-N 353.390 3.653 0 40 FHAB CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224889597 RQUCVKLQUMGLCQ-UHFFFAOYSA-N 352.843 3.514 0 40 FHAB COc1ccc(NC(=S)NCCSCc2ccco2)cc1OC 225347523 UHXWKLUPQYLHJB-UHFFFAOYSA-N 352.481 3.517 0 40 FHAB COc1ccc(C(=O)N2CCC(C(=O)Nc3cc(C)cc(C)c3)CC2)cc1 240768115 AUVGLAZOMRCVNZ-UHFFFAOYSA-N 366.461 3.803 0 40 FHAB Cc1ccc(Nc2nc([C@H]3CCCN3Cc3ccnn3C)cs2)nc1 257314463 UXCCUTZTHICFSD-MRXNPFEDSA-N 354.483 3.661 0 40 FHAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)C(C)C)CC2)on1 257328053 XDXPYGPRHAKOAP-WKILWMFISA-N 356.470 3.794 0 40 FHAB COc1cccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(C)=O)c1OC 257343369 ZSRYDKKTLVXNSM-JIFMIUSNSA-N 373.493 3.722 0 40 FHAB CCCN(C(=O)c1cccs1)C1CCN(c2nnc(C3CC3)o2)CC1 278487383 VZHXRIJNQXHPPI-UHFFFAOYSA-N 360.483 3.530 0 40 FHAB CCC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 408584583 RRHHXYLKRASMEP-HNNXBMFYSA-N 367.515 3.561 0 40 FHAB COc1cccc(N(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 408627495 NAPKJQMHKZASGY-UHFFFAOYSA-N 360.262 3.968 0 40 FHAB COc1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 408652529 DHACEBPMOCIKHG-CYBMUJFWSA-N 359.809 3.616 0 40 FHAB O=C(CCSc1ccccc1)N1CC[C@@H](n2cnc3ccccc32)C1 575617642 QBIQTKBMNJQTDB-MRXNPFEDSA-N 351.475 3.992 0 40 FHAB Cc1cc(NS(=O)(=O)c2ccsc2)cnc1N1CCCC[C@H]1C 585081679 GOKDKSCDIKSHLP-CYBMUJFWSA-N 351.497 3.631 0 40 FHAB Cc1cc(CN)cc(NC(=O)NCC[C@H]2CSc3ccccc3O2)c1 647478667 ZOKABTMMVIZBBE-INIZCTEOSA-N 357.479 3.519 0 40 FHAB C[C@H](NC(=O)NC1CCN(c2ccccn2)CC1)C1CCC(F)(F)CC1 654380618 HEPBRKUKFKQJTP-AWEZNQCLSA-N 366.456 3.564 0 40 FHAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2cccc3ccccc23)n1 8969345 LWEBBQGVTUPTAT-UHFFFAOYSA-N 353.447 3.606 0 40 FHAB CN(C)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1 780923 KJIPMMXTPOMSTI-UHFFFAOYSA-N 372.425 3.673 0 40 FHAB O=C(CSc1nnc(-c2cccc(F)c2)o1)N1CCCc2ccccc21 780973 OSVPLEIGMLOWAY-UHFFFAOYSA-N 369.421 3.947 0 40 FHAB COc1ccc(Cl)cc1NC(=O)NC[C@H](c1ccsc1)N(C)C 22766883 WTUMLFREYMXMKQ-CQSZACIVSA-N 353.875 3.835 0 40 FHAB CS[C@H]1CC[C@H](N(C)C(=O)CCCc2nnc(-c3ccccc3)o2)C1 78934100 ILSAUEKYQXTLOU-HOTGVXAUSA-N 359.495 3.802 0 40 FHAB COCCNc1ccccc1CNC(=O)c1ccc(-c2ccco2)nc1C 79064688 JMLDPFPZCCQAKS-UHFFFAOYSA-N 365.433 3.638 0 40 FHAB O=C(COC(=O)COc1ccc(Cl)cc1)Nc1cccc(Cl)c1 1960620 ZIDLOEYGALGNBF-UHFFFAOYSA-N 354.189 3.554 0 40 FHAB CC(C)Oc1ccc(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 3485949 KVGKOJJMYXFPGC-HXUWFJFHSA-N 367.445 3.824 0 40 FHAB COc1ccc(-c2noc(CCC(=O)Nc3cc(C)ccc3OC)n2)cc1 4933156 IVGJTCNPDPGARV-UHFFFAOYSA-N 367.405 3.634 0 40 FHAB CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccccc3C(=O)O)c2C)C1=O 6630134 HCQXWFXWESGVAJ-YBEGLDIGSA-N 370.430 3.849 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cc(Cl)ccc2F)c1 7522699 KWIKXHMECFOFDX-NSHDSACASA-N 363.772 3.866 0 40 FHAB COc1cccc(CNn2c(C)n[nH]c2=S)c1OCc1ccccc1 7602672 RCRVHQRRGRXGRD-UHFFFAOYSA-N 356.451 3.580 0 40 FHAB CCN1CCN(c2ccc(N[C@@H](C)c3nc(C4CC4)no3)c(C)c2)CC1 55151715 JDFGFZVGOURRFR-HNNXBMFYSA-N 355.486 3.570 0 40 FHAB COc1ccc(NC(=O)COC(=O)c2ccc(F)c(Cl)c2)cc1Cl 51354024 NTPZMEHIQUBZGG-UHFFFAOYSA-N 372.179 3.937 0 40 FHAB Cc1noc(C)c1CSCC(=O)NCc1cccc(C(F)(F)F)c1 8072781 HQRTXFTVTXXHNH-UHFFFAOYSA-N 358.385 3.860 0 40 FHAB Cc1noc(C)c1CSc1ccccc1C(=O)N1CCN(C2CC2)CC1 58005984 JNMABDGPWIHHGX-UHFFFAOYSA-N 371.506 3.504 0 40 FHAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1C 12543124 LQYAXQTZTTUZHA-UZLBHIALSA-N 352.434 3.749 0 40 FHAB O=C(NCCSCc1cccs1)Nc1ccc(N2CCCC2)nc1 48086378 MUTPNBZGARHCPA-UHFFFAOYSA-N 362.524 3.798 0 40 FHAB COc1cc(NC(=O)C[C@@H](C)c2ccccc2)c(C(=O)N(C)C)cc1OC 25214388 VWUMTWXCXLQVOA-CQSZACIVSA-N 370.449 3.538 0 40 FHAB CCOC(=O)c1nnc(-c2cccs2)nc1NCc1ccc(C)cc1 1400946 ZKGNMVXBFFRXKD-UHFFFAOYSA-N 354.435 3.697 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)/C=C/c2cccc(F)c2)c1 3250088 NOXJUIOZPYTRGU-HBWSCVEGSA-N 355.365 3.612 0 40 FHAB O=C(NCCCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C1CC1 57304926 CCJLDMNHHBUECS-MRXNPFEDSA-N 369.292 3.963 0 40 FHAB COc1cccc(-c2cc(C(=O)Nc3ccc(-n4cccn4)cc3)n[nH]2)c1 28243332 DJBHUBOWRGSTPV-UHFFFAOYSA-N 359.389 3.523 0 40 FHAB Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(OC(C)C)c3)CC2=O)cc1 103717161 HWHCUSNANRUNOP-INIZCTEOSA-N 352.434 3.774 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 10186283 AEAOCXLEJIVZTK-INIZCTEOSA-N 351.450 3.869 0 40 FHAB COc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)c(F)c1 10282123 SDXWTLYENUKYKB-UHFFFAOYSA-N 356.441 3.750 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 58202042 NMQWSQZBUNZMOH-AWEZNQCLSA-N 369.415 3.631 0 40 FHAB Cc1nnc(SCc2c(C(=O)Nc3cn[nH]c3)oc3ccccc23)s1 58267888 KPQLCVWSGUYPPA-UHFFFAOYSA-N 371.447 3.860 0 40 FHAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCC[C@H](C)C1 12799280 JJPRCWBTXZPUCF-LBPRGKRZSA-N 367.371 3.772 0 40 FHAB Cc1cc(C)c2cc(C(=O)N(C)C[C@H]3COc4ccccc4O3)[nH]c2c1 12731022 LGTLZUBMTHBWLR-HNNXBMFYSA-N 350.418 3.697 0 40 FHAB COc1ccc(-c2cc(N[C@@H](C)C(=O)NCC(C)C)ccc2OC)cc1 36395716 NMJNPEOPCRFBCR-HNNXBMFYSA-N 356.466 3.943 0 40 FHAB Cc1ccc(Cl)cc1NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 11264745 PVXYKIGQVSKNQL-CYBMUJFWSA-N 357.841 3.824 0 40 FHAB O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cc(F)cc(F)c1 11251054 LTHCQIRVPKXKFU-UHFFFAOYSA-N 359.294 3.974 0 40 FHAB O=C(CCc1nnc(-c2ccsc2)o1)Nc1cccc(-n2cccn2)c1 45836198 HUYTULSJFUAHOZ-UHFFFAOYSA-N 365.418 3.555 0 40 FHAB Cc1ccccc1OCCSc1nnc(-c2ccc3c(c2)OCO3)o1 2621406 GGMUEWJILFDCTI-UHFFFAOYSA-N 356.403 3.945 0 40 FHAB O=C(Nc1ccccc1OC1CCCC1)[C@@H]1CC(=O)N(Cc2ccco2)C1 46664630 WDBCQATULNBQMJ-OAHLLOKOSA-N 368.433 3.588 0 40 FHAB COc1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1OC 3424788 CGQZRRFLZQZGMS-UHFFFAOYSA-N 362.234 3.811 0 40 FHAB COc1ccc(CN(C)C(=O)CCCOc2ccc(C)cc2)cc1OC 20494542 PSCCHWCBBWMYAF-UHFFFAOYSA-N 357.450 3.830 0 40 FHAB c1coc(CN2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 306126641 FASSEMJKYNJRFZ-SFHVURJKSA-N 359.433 3.764 0 40 FHAB Cc1cccc2c1N(CCCOc1ccc(Br)cc1)C(=O)C2=O 3647807 XTOWNDIASJVHBM-UHFFFAOYSA-N 374.234 3.756 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)CN[C@@H](C)c1ccccc1Cl 13040165 NIVCOWTUYHBEGM-ZDUSSCGKSA-N 360.841 3.806 0 40 FHAB Cc1c(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)oc2c(Cl)cccc12 13259861 FUYRMVGYFHVTAX-HNNXBMFYSA-N 357.793 3.820 0 40 FHAB COc1ccc(CN(C(=O)c2cc[nH]n2)[C@@H]2CCCC[C@@H]2C)cc1OC 93367610 CQLQSFQHTWNTRH-WMLDXEAASA-N 357.454 3.648 0 40 FHAB COCCCNC(=O)c1c(C)c(-c2ccc(OC)cc2)nc2ccccc12 6254362 YOWRHFCVUSYJGX-UHFFFAOYSA-N 364.445 3.985 0 40 FHAB CCC(CC)C(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(C)cc3)C2)s1 13944495 CQTJWEVQELSFEP-CQSZACIVSA-N 372.494 3.742 0 40 FHAB Cc1nc(N2CCC[C@@H]2C(=O)N(C)C)c2c(-c3cccs3)csc2n1 14197756 CEAVTEDCJBFTPK-CYBMUJFWSA-N 372.519 3.785 0 40 FHAB Cc1cc(OCC(=O)NCCC(c2ccccc2)c2ccccc2)no1 14109786 JXGFEJHHFGRVOU-UHFFFAOYSA-N 350.418 3.700 0 40 FHAB CCc1cc2c(=O)n(NC(=O)c3cc4cc(F)ccc4s3)cnc2s1 14166308 RAFWCIJVAMZWQH-UHFFFAOYSA-N 373.434 3.758 0 40 FHAB C[C@@H](Sc1nncs1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 14162354 MYGCKYIBZOMDJV-SSDOTTSWSA-N 362.461 3.949 0 40 FHAB COc1ccc(-c2nonc2NC(=O)/C=C/c2ccc(C)cc2)cc1OC 5488188 KDQKZAUHPWKDSH-DHZHZOJOSA-N 365.389 3.714 0 40 FHAB CCCCOCCCNC(=O)c1csc(Nc2ccc(OC)cc2)n1 4674577 JPKCJRJIAHSRSX-UHFFFAOYSA-N 363.483 3.832 0 40 FHAB CCCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1 14898444 QPSZPUUESFSNML-UHFFFAOYSA-N 374.462 3.551 0 40 FHAB COc1cccc(N[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 5895509 GIXDTANKSWFJQI-HNNXBMFYSA-N 365.216 3.746 0 40 FHAB CSc1nnc(SCc2cc(=O)oc3c(C)c(O)ccc23)s1 5871879 PORVOBSHQINIOD-UHFFFAOYSA-N 352.462 3.673 0 40 FHAB O=C(CSc1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 15579589 RJIIIRLHNJOIKS-KRWDZBQOSA-N 355.459 3.914 0 40 FHAB CCN(C[C@H]1CCCO1)C(=O)c1cc(-c2ccncc2)nc2ccccc12 68243831 VKCGEOWYAQXBOT-QGZVFWFLSA-N 361.445 3.938 0 40 FHAB COC(=O)c1sccc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 7709019 DVVZZVYLEYCUSI-VQHVLOKHSA-N 357.840 3.601 0 40 FHAB C[C@H]1C[C@H](Sc2nnc(Cc3cccs3)n2-c2ccccc2)C(=O)O1 8193453 GFFNJPORVFPYLP-WFASDCNBSA-N 371.487 3.716 0 40 FHAB COc1cc(NC(=O)c2sc(NC(=O)C3CC3)cc2C)cc(OC)c1 8724120 NULARVIZUMHDMJ-UHFFFAOYSA-N 360.435 3.675 0 40 FHAB O=C(CN1CC[C@@H]1c1ccccc1F)Nc1ccc(Br)cc1 72308972 HBYPFLJCRPGRFE-MRXNPFEDSA-N 363.230 3.974 0 40 FHAB Cc1cc2occ(CC(=O)NCCC(=O)Nc3ccc(F)cc3)c2cc1C 72427610 JUCZQIKDXCPLGA-UHFFFAOYSA-N 368.408 3.876 0 40 FHAB CCOc1ccccc1OCCCC(=O)N[C@H](CCO)c1cccs1 89272161 GNKKHIOBJLZXOL-OAHLLOKOSA-N 363.479 3.546 0 40 FHAB C[C@@H]1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)C[C@@H]1O 89408334 GUKZESARNSQDFC-YPMHNXCESA-N 358.488 3.868 0 40 FHAB CC1(C)CCc2nc(NC(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(F)(F)F)sc2C1 557066127 JPCKWCBEKQKOHM-AAXDQBDMSA-N 374.428 3.952 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CC(C)C)cc2)s1 24432600 PRGYSPWWHDZRHO-UHFFFAOYSA-N 352.481 3.842 0 40 FHAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@](C)(O)[C@H]2OC(C)=O 33789434 AQYZEWWPIBKYCF-VEYVBMQYSA-N 358.478 3.844 0 40 FHAB CC[C@@H](C)Cc1c(C)sc2[nH]c(SCc3noc(C)n3)nc(=O)c12 30514914 AIUJYHWLRCLSLV-MRVPVSSYSA-N 364.496 3.865 0 40 FHAB O=C(c1cccnc1)N1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 72358699 PHPQTKBKBADPNM-MRXNPFEDSA-N 362.408 3.698 0 40 FHAB O=C(c1cc2ccccc2o1)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1 77197805 LRLHXNGYMMPRBL-NSHDSACASA-N 365.311 3.854 0 40 FHAB O=C(c1cc[nH]n1)N1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 72349805 VYUHNBORHMVVIC-UHFFFAOYSA-N 364.424 3.554 0 40 FHAB COc1cccc(Cn2nc(C)c(NC(=O)c3ccc(F)cc3)c2C)c1 32610105 SPVZFWFDJLKKGM-UHFFFAOYSA-N 353.397 3.948 0 40 FHAB CC(=O)Nc1cccc(NC(=O)CCc2nc(-c3ccccc3C)no2)c1 41184365 DAHSHTCJLHNGHG-UHFFFAOYSA-N 364.405 3.575 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 223638899 PULUQBUTZLKVJQ-KRWDZBQOSA-N 370.518 3.641 0 40 FHAB C[C@@H](c1nc2ccccc2n1CCOc1ccccc1)N1CCOCC1 82086957 BZOZAVHLTQSNBY-KRWDZBQOSA-N 351.450 3.509 0 40 FHAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(Cn3ccnc3)cc2)cc1C 225115285 HHXJOSVROQEMJN-GOSISDBHSA-N 363.461 3.746 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)c1C 224964259 XPWFMVKDJWTRSW-IBGZPJMESA-N 367.489 3.935 0 40 FHAB CO[C@@H](CNC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)s1 225709396 SRZIQGOLJQYMQG-LBPRGKRZSA-N 354.815 3.639 0 40 FHAB CCN(CC)CCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1 225634970 DBRNPDSYMXHYAD-UWJYYQICSA-N 362.514 3.941 0 40 FHAB CCc1ccccc1N1C(=O)/C(=C/c2ccc(OC)c(OC)c2)N=C1S 48290643 KKILPTJZBQMWTN-PTNGSMBKSA-N 368.458 3.940 0 40 FHAB O=C1CCCC[C@H]1[C@@H]1CCCCCN1C(=O)CCn1cnc2ccccc21 333320549 KZZBOJNAGAUTEB-HKUYNNGSSA-N 367.493 3.957 0 40 FHAB CC(C)n1nnc(-c2ccc(C(=O)Nc3ccc4ccn(C)c4c3)cc2)n1 96232397 FFRQLUYHYJAQIC-UHFFFAOYSA-N 360.421 3.665 0 40 FHAB CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)[C@H]1C[C@H](C(C)(C)O)C(=O)O1 95627579 ONTNQSPOVPJIPN-ARFHVFGLSA-N 369.502 3.553 0 40 FHAB CCc1ccc([C@@H]2[C@@H](C(=O)O)[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 242728185 YXAHSTPDEVDJBO-ZACQAIPSSA-N 364.850 3.543 0 40 FHAB Cc1cc(-c2ncc(C)s2)nc([C@H]2CCCN(C(=O)C(C)(C)C)C2)n1 257200546 ADTDQMQLWCVMMU-AWEZNQCLSA-N 358.511 3.969 0 40 FHAB COc1cccc(Cc2cnc([C@@H]3CCN(Cc4cscn4)C3)o2)c1 257297809 RIWLMJAEIGPTEP-OAHLLOKOSA-N 355.463 3.720 0 40 FHAB O=C(NCc1ccnc([C@H]2CCCOC2)n1)c1cc2ccccc2s1 257226702 FLTPDENUPKRCBG-AWEZNQCLSA-N 353.447 3.515 0 40 FHAB O=C(CC1CCCCC1)N1CCC[C@H](Cc2cncc(-c3ncc[nH]3)n2)C1 257256864 KNFMORTWLTZCSW-QGZVFWFLSA-N 367.497 3.618 0 40 FHAB O=C(c1ncccn1)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257279364 OGGFSQGSQXLKBW-QGZVFWFLSA-N 366.396 3.562 0 40 FHAB CO[C@@](C)(CNC(=O)c1ccc(Br)o1)c1cccc(Cl)c1 96392567 IQFQYNZEHLCPOQ-HNNXBMFYSA-N 372.646 3.987 0 40 FHAB Cc1ncc(CN2CC[C@@]23CCCN(C(=O)CCc2ccccc2)C3)s1 585101799 HFFMUJJOVNMESO-OAQYLSRUSA-N 369.534 3.651 0 40 FHAB O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1ccc(F)cc1Cl 30175393 CPUYCCNTQWCCMN-INIZCTEOSA-N 362.788 3.849 0 40 FHAB O=C(c1ccc(OC(F)(F)F)cc1)N(CC(F)(F)F)C1CCOCC1 77158320 AJWHSKAOPRXNQU-UHFFFAOYSA-N 371.277 3.769 0 40 FHAB O=C1c2ccccc2C(=O)c2c(Br)ccc(Br)c21 147000334 FCLJINAFWAFXTK-UHFFFAOYSA-N 366.008 3.987 0 40 FHAB Cc1cc2c(=O)n(C)c(SCC(=O)Nc3ccc(C)c(C)c3)nc2s1 5017128 RNEGDHZFHMKKEE-UHFFFAOYSA-N 373.503 3.651 0 40 FHAB CCOc1ccc(Oc2ccc(NC(=O)c3ccc[n+]([O-])c3)cc2)cc1 11505303 CZQQYZJLRFWJTE-UHFFFAOYSA-N 350.374 3.763 0 40 FHAB O=c1oc2ccccc2n1[C@@H]1CCCN(Cc2cccc3cccnc23)C1 12119170 FMQCTBHGIGJLOY-GOSISDBHSA-N 359.429 3.980 0 40 FHAB CC(C)C[C@@H](NC(=O)Cc1cccc(F)c1)c1nc2cccnc2n1C 12220138 LNUJGLKWHIHMIU-QGZVFWFLSA-N 354.429 3.554 0 40 FHAB C[C@H]1CN(c2ncc(-c3ccsc3)c(-c3cccnc3)n2)C[C@H](C)O1 12222068 UVXMDVOMLFPIKY-KBPBESRZSA-N 352.463 3.881 0 40 FHAB COc1ccc(-c2cc(CNC(=O)c3ccc(Cl)cc3)no2)cc1OC 12638616 XTTICMRFDFCKNA-UHFFFAOYSA-N 372.808 3.942 0 40 FHAB CCOc1ccc(S(=O)(=O)NCCCc2ccccc2Cl)cc1 13647293 WYUWINXXCVCKGW-UHFFFAOYSA-N 353.871 3.650 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2ccc(F)cc2)c1 14396491 YSCOXMQOBADPGQ-SNVBAGLBSA-N 351.761 3.672 0 40 FHAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(Br)cc1 15609590 WGFKNYYJZFAIQB-UHFFFAOYSA-N 373.250 3.937 0 40 FHAB S=C(NCc1ccc2c(c1)OCO2)Nc1cccc(Br)c1 16941706 ILKFKSCMPPBEBT-UHFFFAOYSA-N 365.252 3.664 0 40 FHAB Cc1ccc(C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)cc1N1CCCCC1 19716150 DMBXZVZJCJULQX-INIZCTEOSA-N 368.525 3.697 0 40 FHAB Cc1cccc(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)c1O 3235132 SDLBVRSTFBBSAJ-UHFFFAOYSA-N 353.296 3.515 0 40 FHAB O=C(CSc1nnc(-c2ccco2)o1)NC12CC3CC(CC(C3)C1)C2 4836015 ZGRDVXFOIPLAJX-UHFFFAOYSA-N 359.451 3.507 0 40 FHAB CCOc1ccccc1NC(=O)CNc1ccc(OC)c(OC(F)F)c1 23902537 KXGXDFDLZBXYHX-UHFFFAOYSA-N 366.364 3.746 0 40 FHAB Cn1ccc(CN2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)cc1=O 2087043981 KBOLLNUHFXDZMI-UHFFFAOYSA-N 374.488 3.586 0 40 FHAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(CC(=O)N2CCCC2)cc1 13714127 YEUMQEPOXRABLY-UHFFFAOYSA-N 356.853 3.686 0 40 FHAB Cc1cc2ncc(CCCNC(=O)CCc3ccc(Cl)c(F)c3)cn2n1 206821501 NJXOTMDFJFNRCI-UHFFFAOYSA-N 374.847 3.512 0 40 FHAB CCOCCn1/c(=N/C(=O)C(C)C)sc2cc(Br)ccc21 100873432 ZFCYTHKLYOVCIY-ICFOKQHNSA-N 371.300 3.585 0 40 FHAB COCCN(Cc1ccccc1)C(=O)c1cc2c(nc3sccn32)s1 31482875 GAARQJUAYPCCBB-UHFFFAOYSA-N 371.487 3.899 0 40 FHAB COc1cccc(S[C@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)c1 31817653 MUJKJHXXFILOEK-CYBMUJFWSA-N 355.459 3.968 0 40 FHAB CCCC[C@@H]1[C@H]2C(=O)N(c3ccccc3C)C(=O)[C@H]2ON1c1ccccc1 101038470 SXZFTHLDQXMSFV-AQNXPRMDSA-N 364.445 3.864 0 40 FHAB Cc1c(C(=O)O[C@H](C)c2ccccc2Cl)sc2ncn(C)c(=O)c12 32776437 UQJRGZJADNAWQF-SNVBAGLBSA-N 362.838 3.875 0 40 FHAB C[C@@H](NC(=O)/C=C/c1ccc(Cl)s1)c1ccc(-n2cncn2)cc1 22324747 BVYRXANXAHWOLL-YPUOHESYSA-N 358.854 3.873 0 40 FHAB COC(=O)c1c(NC(=O)C(C)C)sc(C(=O)Nc2ccc(C)cc2)c1C 871476 HDJLNQFJVDPFHU-UHFFFAOYSA-N 374.462 3.998 0 40 FHAB CC[C@H](C)NC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 901993 SWUAPBLYGJHJCC-VIFPVBQESA-N 359.373 3.762 0 40 FHAB Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)N3CCCCC3)n12 902972 CIXZAJUGBIFKNR-UHFFFAOYSA-N 368.506 3.912 0 40 FHAB COc1cc2c(cc1OC)-c1cc(NC3CCCCCC3)nc(=O)n1CC2 2441527 YBDJCXQFZNVCGK-UHFFFAOYSA-N 369.465 3.618 0 40 FHAB biogenic O=C1NC(=O)c2c(NC(=O)c3sc4ccccc4c3Cl)cccc21 2641481 FRZZWMLYHRYTKG-UHFFFAOYSA-N 356.790 3.691 0 40 FHAB O=C1C[C@@H](Nc2ccc(F)cc2)C(=O)N1c1ccc(N2CCCCC2)cc1 2886601 VPPZFNIWYIBIFJ-LJQANCHMSA-N 367.424 3.560 0 40 FHAB Cc1cc(C(=O)OCC(=O)NCCC2=CCCCC2)c2ccccc2n1 3318946 OVHUKKMHKAHQST-UHFFFAOYSA-N 352.434 3.707 0 40 FHAB O=C(COc1ccc(Br)cc1Cl)NCc1cccs1 3390008 YTLYWEFPODBUMV-UHFFFAOYSA-N 360.660 3.859 0 40 FHAB O=C1c2ccccc2C(=O)N1CCCCSc1nc2ccccc2o1 3428552 ZRQBSBFYDKHZCC-UHFFFAOYSA-N 352.415 3.996 0 40 FHAB CC(C)N(C(=O)COC(=O)c1ccc2ncsc2c1)c1ccccc1 3449130 BDEKKUFKTJAUBB-UHFFFAOYSA-N 354.431 3.895 0 40 FHAB CSc1ccccc1NC(=O)CN(C)C(=O)CCOc1cccc(C)c1 3454203 XEZKROHYJVPIAU-UHFFFAOYSA-N 372.490 3.583 0 40 FHAB COc1ccc2nc(SCC(=O)N3c4ccccc4C[C@@H]3C)[nH]c2c1 3536025 AOQVIDHONFPKFK-LBPRGKRZSA-N 353.447 3.641 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2nnc(-c3cccc(C)c3)s2)c1 4072089 YAPWUKRLJPREKK-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC)cc2)CC(=O)O3)cc1 4629515 QLSGGDLKLNNBMQ-INIZCTEOSA-N 350.374 3.535 0 40 FHAB Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CCCC(=O)O)cc1 5034405 UONXWXRIYVLXNB-INIZCTEOSA-N 356.447 3.989 0 40 FHAB COc1ccc2cc3c(nc2c1)N(NC(=O)c1ccccc1Cl)CC3 5205158 MZKCLETTYAJZFR-UHFFFAOYSA-N 353.809 3.604 0 40 FHAB Cn1c(SCc2cc(Cl)c3c(c2)OCCO3)nnc1-c1ccncc1 5316502 BHZNLSSQBLNVIJ-UHFFFAOYSA-N 374.853 3.594 0 40 FHAB C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)NC1CCCC1 5333061 BKZLBEZVDWCMAR-LBPRGKRZSA-N 374.485 3.959 0 40 FHAB COCCn1c(SCC=C(C)C)nc2sc3c(c2c1=O)CCC3 5430120 JPRKUMXOYWTRBY-UHFFFAOYSA-N 350.509 3.651 0 40 FHAB CC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc1 5495525 XJOGWCUCKBBMGJ-UHFFFAOYSA-N 366.200 3.992 0 40 FHAB O=C(Nc1ccc(Br)cc1)C1=NN(c2ccccc2)C(=O)CC1 5558269 LIRXYTBJSVQJRV-UHFFFAOYSA-N 372.222 3.571 0 40 FHAB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 6563803 JRICYHLMHVQGHK-OXBCTQFSSA-N 353.440 3.526 0 40 FHAB COc1ccc2oc(C(=O)NC[C@H](c3cccs3)N(C)C)c(C)c2c1 6589276 GYFPHXCRPSJORY-OAHLLOKOSA-N 358.463 3.844 0 40 FHAB CCN(CC)Cc1ccc(NC(=S)NC(=O)c2ccccc2F)cc1 6629905 KONDOZVHJFKRTG-UHFFFAOYSA-N 359.470 3.794 0 40 FHAB CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1 6709344 WUGJWBQOFPPLTQ-UHFFFAOYSA-N 355.463 3.779 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)c2nnc(-c3cccs3)o2)c1C 6842749 NANQFSVEYKTELM-LLVKDONJSA-N 359.407 3.864 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)Sc2nccn2-c2ccc(C)c(C)c2)no1 7064549 JXPXJFKXDNXWFE-CQSZACIVSA-N 356.451 3.905 0 40 FHAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1CCSc1ccc(Cl)cc1 7081264 GOOFZWNPKWZVHS-IBGZPJMESA-N 372.877 3.826 0 40 FHAB Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)NCc1cccs1 7831250 KMAWOKWMVUGIQR-ZDUSSCGKSA-N 370.430 3.573 0 40 FHAB CCOc1ccc2nc(SCC(=O)N(C)Cc3ccsc3)[nH]c2c1 7896737 XMAQZAZRPKITOO-UHFFFAOYSA-N 361.492 3.774 0 40 FHAB Cc1csc(N(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c2ccccc2)n1 8428366 SCWDYQPJTFGJNT-OAHLLOKOSA-N 369.490 3.907 0 40 FHAB Nc1c(Br)cc(NC(=O)c2ccco2)cc1Br 8702081 CEGJTGXZBKIHKE-UHFFFAOYSA-N 360.005 3.639 0 40 FHAB COCCn1c([C@H]2CC(=O)N(c3cc(C)ccc3C)C2)nc2ccccc21 8845076 NTUUIZRIYSSCKC-KRWDZBQOSA-N 363.461 3.820 0 40 FHAB CC1(C)COc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2NC1=O 8959833 OYQHIHJMLAOYQN-UHFFFAOYSA-N 374.824 3.715 0 40 FHAB CCCN(CC1CC1)C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 9450064 OOXYAOCNVAFWLW-UHFFFAOYSA-N 362.429 3.749 0 40 FHAB NC(=O)c1cccc(NC(=O)c2ccccc2SCc2ccco2)c1 9497378 IIDJJFYRWGJOAZ-UHFFFAOYSA-N 352.415 3.923 0 40 FHAB O=C(NCC1(c2ccccc2)CC1)N1CCN(c2ccccc2Cl)CC1 10262953 DZNCNSJUVZKXKO-UHFFFAOYSA-N 369.896 3.903 0 40 FHAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(OC)cc2)c(C)c1 10447392 OQDFPUQJMRZUJX-AWEZNQCLSA-N 357.406 3.586 0 40 FHAB CCOC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc3c(c2)CCC3)c1 10698312 KAMXDFZHTVSDRH-UHFFFAOYSA-N 367.401 3.783 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)O)c2ccccc12 11691688 ILHRCFGTIQCELS-UHFFFAOYSA-N 355.415 3.672 0 40 FHAB CC(C)CN1CCC(C[C@@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)O)CC1 12220147 GUGWQAMSAXAZMX-KRWDZBQOSA-N 362.445 3.532 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCc1ccccc1OC)CC3 12296787 JMMNVFRJFXNDFR-UHFFFAOYSA-N 364.445 3.703 0 40 FHAB biogenic O=C(O)[C@H](c1c[nH]c2cc(Br)ccc12)N1CCCCCC1 12408287 UNHSNUFOCYOOBE-HNNXBMFYSA-N 351.244 3.932 0 40 FHAB CCOc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1)O[C@@H](C)C2 12560509 AMDNIZPUHLDGSJ-NSHDSACASA-N 367.854 3.863 0 40 FHAB Cc1cc(OCC(=O)NCc2ccc(Cn3cccn3)cc2)ccc1Cl 12626093 XLLWQXKYUHSVCC-UHFFFAOYSA-N 369.852 3.588 0 40 FHAB CCCCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc(C)c1C 12768740 YPOKOFONHAWQSI-UHFFFAOYSA-N 361.467 3.760 0 40 FHAB NC(=O)[C@@H](OC(=O)c1ccc(C2SCCS2)cc1)c1ccccc1 12819725 PPABYPIYZRRETR-HNNXBMFYSA-N 359.472 3.549 0 40 FHAB O=C(COc1nnc2ccccn12)N(C1CCCCC1)C1CCCCC1 12925406 NMGBAOHMUQTALO-UHFFFAOYSA-N 356.470 3.602 0 40 FHAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1cc2ccccc2oc1=O 12947552 ADYSTVNJGHZKLO-HNNXBMFYSA-N 355.390 3.899 0 40 FHAB COC(=O)c1ccsc1NC(=O)Nc1ccc(CN2CCCC2)cc1 13325256 KFUHHLDVSJLUFE-UHFFFAOYSA-N 359.451 3.775 0 40 FHAB C[C@H](NS(=O)(=O)c1cc(F)ccc1F)C12CC3CC(CC(C3)C1)C2 13938781 MYOFABQUMINJET-IWERZKIRSA-N 355.450 3.848 0 40 FHAB C[C@H](NC(=O)CO/N=C(\N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 14369095 SZDVBABPAGZYEN-NSHDSACASA-N 366.248 3.508 0 40 FHAB O=C(c1ccc(N2CCCCC2)cc1)N1CCN(Cc2ccccc2)CC1 14399842 GWHYNJTUPQTAMX-UHFFFAOYSA-N 363.505 3.635 0 40 FHAB O=C(CN1C(=O)COc2ccccc21)OCc1ccc(-c2ccccc2)cc1 14424235 PWTVCLINUYEGBP-UHFFFAOYSA-N 373.408 3.822 0 40 FHAB CC(=O)c1cccc(OCC(=O)N[C@@H]2CCSc3ccc(F)cc32)c1 15199624 CMDLKFYYNXQFSQ-QGZVFWFLSA-N 359.422 3.760 0 40 FHAB COc1ccccc1-c1noc(CCCC(=O)Nc2cccc(F)c2)n1 15669609 GLXIPJGHAMLCMH-UHFFFAOYSA-N 355.369 3.846 0 40 FHAB COc1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(Cl)c3)c2)cc1 15883224 FUXKXAAVTIWATK-UHFFFAOYSA-N 368.820 3.811 0 40 FHAB O=S(=O)(NCc1ccc(Cl)cc1)c1cccc(Br)c1 16088975 UHBXUOCLRFZYAJ-UHFFFAOYSA-N 360.660 3.581 0 40 FHAB C[C@]12C[C@@H](c3ccccc3)N(C(=O)Cc3ccccn3)[C@H]1CCCCCN2 19713505 VGYWGNSSRYMKKB-FUDKSRODSA-N 363.505 3.889 0 40 FHAB C[C@H](NC(=O)CC1CCN(CCc2ccccc2)CC1)c1ccccn1 19748824 CNIROYVPGBIZEA-SFHVURJKSA-N 351.494 3.604 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCSCc1ccccc1 20049587 FVDMIMMMUVKJEC-IBGZPJMESA-N 359.491 3.902 0 40 FHAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1-n1ccnc1 20104981 VYTAJGUNXMOHEE-GOSISDBHSA-N 369.852 4.000 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 20105074 PEMJTHWPLLQUTD-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB COc1ccc([C@@H](C)NC(=O)CSCc2ccc(F)cc2)cc1OC 20110614 ZDLQZRBZBSDYTD-CYBMUJFWSA-N 363.454 3.954 0 40 FHAB CC(C)CCCN1CC[C@@H](N2CCN(C3CCCCC3)CC2)CCC1=O 20999758 VPJOODYMLMVMPB-NRFANRHFSA-N 363.590 3.754 0 40 FHAB CCCOc1ccc(NC(=O)Cn2nnc3ccccc32)cc1OCCC 24092609 CXWPSMXLQLQWGA-UHFFFAOYSA-N 368.437 3.648 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)Nc2nc3cc4c(cc3s2)OCCO4)c1 24963651 UZVYKFGMYKTRPZ-LBPRGKRZSA-N 370.430 3.782 0 40 FHAB CC(=O)c1cccc(OC[C@H](O)CN(Cc2ccco2)Cc2ccco2)c1 25228683 UBYKAOFDXRKTIU-GOSISDBHSA-N 369.417 3.517 0 40 FHAB Cc1ccc2c(=O)cc(C(=O)Nc3ccnn3Cc3ccccc3)oc2c1 28293686 NZPKXPKNNZBKEW-UHFFFAOYSA-N 359.385 3.599 0 40 FHAB O=C(NCCOc1ccc(F)cc1)c1ccc(CN2CCCCC2)cc1 29299911 AYWRWAZWMRCZQU-UHFFFAOYSA-N 356.441 3.620 0 40 FHAB COC(=O)CCCN(C)C(=O)c1ccc2noc(-c3ccccc3)c2c1 32278273 CGVBJGKKBXZOMI-UHFFFAOYSA-N 352.390 3.520 0 40 FHAB Cc1nc(COc2ccc(C(=O)N3CC[C@@H]4CCCC[C@H]4C3)cc2)no1 32878984 UWBHGFJQLOPMKP-RDJZCZTQSA-N 355.438 3.609 0 40 FHAB O=S(=O)(Oc1ccc2c(c1)CCC2)c1ccccc1OC(F)(F)F 32895429 BZRZSVLEYUWMHN-UHFFFAOYSA-N 358.337 3.842 0 40 FHAB Cc1nc(S)sc1CC(=O)Nc1ccc2c(c1)nc1n2CCCCC1 32902343 ZWPJROAGYNXYKE-UHFFFAOYSA-N 372.519 3.998 0 40 FHAB COCCNc1c(-c2cc3cc(C)ccc3[nH]c2=O)nc2ccc(C)cn12 35314214 KLBBYXHDSRKCMJ-UHFFFAOYSA-N 362.433 3.518 0 40 FHAB C[C@H]1CCCCN1[C@@H](C)CNC(=S)NCCSc1ccccc1 36847492 VLNDUWHWWIRHLU-HOTGVXAUSA-N 351.585 3.506 0 40 FHAB COc1cccc(-c2cc(CNC(=O)CSc3ccc(F)cc3)no2)c1 38582160 TULSOESYYKEWCX-UHFFFAOYSA-N 372.421 3.898 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)NCCCN2CCc3ccccc32)c1C 38756987 JGWFOWGFZCLCFJ-GOSISDBHSA-N 352.478 3.640 0 40 FHAB O=C(CSc1ccc(Cl)cc1)NCc1ccc(-n2cccn2)cc1 40106961 PCIMWKANCRFSTG-UHFFFAOYSA-N 357.866 3.934 0 40 FHAB Cc1cccnc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 40143983 CIABJLKTZDHLJH-UHFFFAOYSA-N 354.360 3.595 0 40 FHAB COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 44933109 WDVLMUIGDYQGME-YLJYHZDGSA-N 352.478 3.785 0 40 FHAB Cc1nc(CSCC(=O)Nc2ccc(N3CCCCCC3)cc2)no1 45033068 QUJBMDBEADQIGB-UHFFFAOYSA-N 360.483 3.630 0 40 FHAB C[C@H](NC(=O)c1cnc(OCC(F)(F)F)c(Cl)c1)c1cccnc1 47751504 LSPLOCVHXMLYDA-VIFPVBQESA-N 359.735 3.562 0 40 FHAB CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ncccc12)c1cccs1 49300638 MBBGRDGLIBXRFX-KRWDZBQOSA-N 353.447 3.748 0 40 FHAB Fc1cccc(Cn2cc(-c3noc(-c4ccc5cc[nH]c5c4)n3)nn2)c1 49410185 PYCCEHBXMSLEGC-UHFFFAOYSA-N 360.352 3.664 0 40 FHAB CN(Cc1ccc(Cl)cc1)C(=O)CCC(=O)c1ccc2c(c1)OCCO2 49930324 DNVKWBFIEHYQFZ-UHFFFAOYSA-N 373.836 3.733 0 40 FHAB COc1ccc(C(=O)Nc2ccc(N3CCSCC3)cc2C)c(O)c1 50496172 RSLLNSOVIZVXOW-UHFFFAOYSA-N 358.463 3.515 0 40 FHAB Cc1cc2cc(NC(=O)[C@H]3CCCN3C(=O)C3CCCCC3)ccc2[nH]1 52589055 VVUSGMKLCBKYDF-LJQANCHMSA-N 353.466 3.986 0 40 FHAB COc1ccc(C2=CCN(C(=O)c3ccc(C)c(NC(C)=O)c3)CC2)cc1 53772710 NHUAOWZJOQYNEL-UHFFFAOYSA-N 364.445 3.892 0 40 FHAB COc1c(C)cnc(CN(C)C(=O)N[C@@H](C)c2sc(C)nc2C)c1C 57616933 MEWIPIORHJDHKI-ZDUSSCGKSA-N 362.499 3.683 0 40 FHAB Cc1ccc(NC(=O)CCNC(=O)Nc2ccccc2C(F)(F)F)nc1 58157397 GKAFYYHFXTXXAO-UHFFFAOYSA-N 366.343 3.559 0 40 FHAB Cc1cccnc1NC(=O)N(Cc1ccccc1)Cc1cccc(C(N)=O)c1 58174046 XHHNHCTVCRHXSM-UHFFFAOYSA-N 374.444 3.723 0 40 FHAB O=C(NCc1nc(Cc2ccccc2)no1)c1cc2c(s1)CCCCC2 58426399 MHXRXXJIZQMDSH-UHFFFAOYSA-N 367.474 3.921 0 40 FHAB COc1cccc2sc(NC(=O)Cc3cn(C)c4ccccc34)nc12 65547320 GROIZEOXBBVLKF-UHFFFAOYSA-N 351.431 3.978 0 40 FHAB COc1ccc(-c2cc3c(N4CCC(C)CC4)nccn3n2)cc1OC 67285273 HTBXKMUTEJOOEP-UHFFFAOYSA-N 352.438 3.650 0 40 FHAB C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@@]2(O)C#N 70669778 VRSHJJXUDZAQKD-ZWJPJJENSA-N 357.494 3.947 0 40 FHAB biogenic CC[C@H](NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)[C@@H]1CCOC1 72297013 SZMBHYDSYRZMFL-QUCCMNQESA-N 366.461 3.508 0 40 FHAB CC(=O)N(CCC(=O)N1C[C@H](C)[C@@H]1c1ccccc1)Cc1ccccc1 72303335 QYGROTYDDOSIDC-HTAPYJJXSA-N 350.462 3.645 0 40 FHAB COc1cccc(-c2cncc([C@H]3CCCN(C(=O)c4ccncc4)C3)n2)c1 72359510 LFIWCQOZBNSREI-SFHVURJKSA-N 374.444 3.567 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCN=C2Cc2cccc3ccccc23)cc1 72414336 OEJLTJATUCLKGV-UHFFFAOYSA-N 364.470 3.794 0 40 FHAB CNC(=O)CC1CCN(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 74832613 GMIVXENLGJNCGG-LLVKDONJSA-N 372.296 3.612 0 40 FHAB O=C(Cc1ccc(Cl)cc1)N1CC(c2nc(-c3ccsc3)no2)C1 75156511 MSQAEOOACQVVCE-UHFFFAOYSA-N 359.838 3.620 0 40 FHAB COc1cc(COCC2CCN(Cc3cccnc3)CC2)cc(OC)c1 75156555 JKLKDVHWKDAPCZ-UHFFFAOYSA-N 356.466 3.528 0 40 FHAB OC1=Nc2[nH]ncc2[C@H](c2cccc(OCc3ccccn3)c2)SC1 79485851 DRZVZNSMQYQARY-KRWDZBQOSA-N 352.419 3.808 0 40 FHAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2Cl)cc1 83947526 IHXRRWRBNNUAFG-GOSISDBHSA-N 372.852 3.521 0 40 FHAB CC1CCN(C(=O)[C@H]2CCCN(C(=S)N[C@@H](C)c3ccccc3)C2)CC1 84697932 DOYFYLMVGBORBD-HKUYNNGSSA-N 373.566 3.593 0 40 FHAB CCCS(=O)(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc(Cl)cc1 89960367 SAWNNSNGKLGIDR-OAHLLOKOSA-N 352.843 3.824 0 40 FHAB COCCn1c(C(=O)N[C@H]2CCOC(C)(C)C2)cc2cc(Cl)ccc21 95475743 YOIPTTHAQJHFLZ-HNNXBMFYSA-N 364.873 3.629 0 40 FHAB CC(C)(C)[C@H]1CCN(C(=O)Nc2ccc3oc(C4CC4)nc3c2)C[C@@H]1O 95996486 JBUBKTKVDTVBQW-HOCLYGCPSA-N 357.454 3.966 0 40 FHAB COc1cccc(NC(=O)N[C@H]2CCCc3cn(CC(F)(F)F)nc32)c1 96002651 CFJJGOHTHBETDZ-AWEZNQCLSA-N 368.359 3.653 0 40 FHAB COc1cc(C=O)ccc1OCCC(=O)N[C@@H](C)Cc1ccc(C)cc1C 96012398 IEGCXZWAJUVVLN-KRWDZBQOSA-N 369.461 3.641 0 40 FHAB Cc1noc(C)c1CN1CCC2(CCN(Cc3cccc(F)c3)CC2)C1 96157583 LXDAFSUCACWYJC-UHFFFAOYSA-N 357.473 3.919 0 40 FHAB CCOC(=O)c1ccc(NC(=O)COc2ccc3c(c2)CCCC3)cc1 96586344 OIFMBAZDYXERNY-UHFFFAOYSA-N 353.418 3.760 0 40 FHAB COCc1c(-c2ccc(Cl)cc2)c2cc3c(cc2[nH]c1=O)OCCO3 98086847 QBYFFIQEANUUHL-UHFFFAOYSA-N 357.793 3.766 0 40 FHAB Cc1ccc(C23C[C@@H]4C[C@H](CC(NC(=O)NC(C)(C)CO)(C4)C2)C3)cc1 100970182 SVLNEKCDNMHIHJ-UOBYYGQQSA-N 356.510 3.656 0 40 FHAB COc1ccc(CN2CC[C@@]3(C[C@@H](Nc4cccc(F)c4)CO3)C2)cc1 107728389 QQTZKGMAIOOPOE-TZIWHRDSSA-N 356.441 3.680 0 40 FHAB O=S(=O)(c1ccc(Cl)cc1)[C@@H]1[C@@H](CO)[C@@H]1c1ccc(Cl)cc1 218592113 NRFDIODVMCMEAO-HRCADAONSA-N 357.258 3.542 0 40 FHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 222605942 MXDKVYYSIBOYBE-HXUWFJFHSA-N 370.468 3.700 0 40 FHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222694169 QXLUQDHXHZMGIU-KDOFPFPSSA-N 371.433 3.501 0 40 FHAB COC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2Cl)ccc1C 223801911 VGDBRYXNRMJDPA-UHFFFAOYSA-N 374.245 3.889 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSc1ccccc1 224093956 IXCYZAQBQMZGAB-LJQANCHMSA-N 370.518 3.722 0 40 FHAB Cc1ccc(CC(=O)NCc2nc(-c3ccccc3Cl)no2)c(C)c1 224638310 VVVLFAUKRQQRIY-UHFFFAOYSA-N 355.825 3.866 0 40 FHAB COc1ccccc1CCCNC(=S)Nc1ccc(OC)c(OC)c1 225549681 WXDMTICGQHPVPR-UHFFFAOYSA-N 360.479 3.632 0 40 FHAB Cc1nn(-c2ccccn2)c(C)c1CCNC(=O)c1ccc(Cl)s1 225582688 JFPFHABRQUXGPU-UHFFFAOYSA-N 360.870 3.572 0 40 FHAB C[C@H]1[C@H](OC(=O)c2cccc(N3C(=O)CCC3=O)c2)C[C@H]2C[C@H]1C2(C)C 245228168 IGPLREQKGCQVKF-ODVANORSSA-N 355.434 3.568 0 40 FHAB COc1ccc(OC)c(NC(=O)Nc2ccc3c(c2)CCCC(=O)N3)c1 252503327 VBEDOYLCJUILNC-UHFFFAOYSA-N 355.394 3.623 0 40 FHAB NC(=O)[C@]1(c2ccccn2)CCCN1Cc1ccccc1Oc1ccccc1 257268041 MJZHKCKUPCMYIY-HSZRJFAPSA-N 373.456 3.851 0 40 FHAB Fc1ccc(CN2CCC[C@H](c3ccnc(Nc4ncccn4)c3)C2)nc1 257289903 QASJOJYHCHHOOF-INIZCTEOSA-N 364.428 3.529 0 40 FHAB CCc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC2)c1 408596080 RDLYPFNPNJKXLC-UHFFFAOYSA-N 372.490 3.594 0 40 FHAB COc1ccccc1[C@H]1CCC[C@@H](C)N1C(=O)c1ccc2nccnc2n1 556802339 OKLWQJKFTGTVFV-RDTXWAMCSA-N 362.433 3.789 0 40 FHAB O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)c1ccc(Cl)c2ncccc12 585080020 VSGSTZFTIWDYKN-PKOBYXMFSA-N 367.836 3.933 0 40 FHAB CN(C)CC[C@H]1CN(C(=O)CCc2ccccc2Cl)Cc2cccn2C1 585095554 WQZIEELICNWMAG-QGZVFWFLSA-N 373.928 3.684 0 40 FHAB O=C(c1ccc(Br)o1)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 585149060 TXBHSJOLSHRJNT-CYBMUJFWSA-N 362.223 3.607 0 40 FHAB CC(=O)N1CCN(C2CCCCC2)C[C@H](Cc2ccc3ncccc3c2)C1 1615190789 JDLOUEHPXNGZSL-HXUWFJFHSA-N 365.521 3.890 0 40 FHAB Cc1cnn(CCN2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)c1 2086889849 XUZCBJCUMVBCSR-UHFFFAOYSA-N 361.493 3.892 0 40 FHAB O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1n[nH]c2ccccc12 22619603 MDJOFLMXDIHEMX-GOSISDBHSA-N 368.868 3.783 0 40 FHAB COc1cc(NC(=O)C[C@H](C(=O)O)c2ccccc2)c(OC)cc1Cl 8986841 COQNVEGWAWOKJQ-LBPRGKRZSA-N 363.797 3.554 0 40 FHAB CC(=O)c1ccc(O[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)cc1 836570 SPAYKOCNVDOAPY-CYBMUJFWSA-N 352.645 3.737 0 40 FHAB O=S(=O)(c1ccccc1)N1CCN=C1SCc1ccc(Cl)cc1 2711520 JWBQZPNATFBKIF-UHFFFAOYSA-N 366.895 3.634 0 40 FHAB O=S(=O)(NNc1c(Cl)cc(Cl)cc1Cl)c1ccccc1 3362027 UHONEYCHIALHSY-UHFFFAOYSA-N 351.642 3.952 0 40 FHAB CC(=O)N(c1cccc(C)c1)[C@H]1SC(=O)N(c2cccc(C)c2)C1=O 3196571 XVLWRESRAIDUFT-SFHVURJKSA-N 354.431 3.882 0 40 FHAB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)N1CCCC1 3487808 XMEGRSLAYKPQQY-UHFFFAOYSA-N 370.503 3.710 0 40 FHAB CCCCN1C(=O)c2ccc(C(=O)OCc3ccc(C)cc3)cc2C1=O 3500060 LOOWNCPBROZFDQ-UHFFFAOYSA-N 351.402 3.748 0 40 FHAB CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2cccs2)CC1 959121 ZMQGTVWBYJXOLY-UHFFFAOYSA-N 369.412 3.771 0 40 FHAB C[C@@]1(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)CC1(Cl)Cl 42522873 MLBKGSDSNUXNHR-AWEZNQCLSA-N 363.672 3.699 0 40 FHAB O=C(Cc1ccc(F)cc1)Nc1nn2cc(-c3ccccc3)nc2s1 12524837 RUTJDVPSQZNBOY-UHFFFAOYSA-N 352.394 3.778 0 40 FHAB COc1ccc(CN2CCC(N(C)Cc3ccccc3)CC2)c(OC)c1 4351152 QRTAUMNSZJVNGY-UHFFFAOYSA-N 354.494 3.800 0 40 FHAB Cc1ccc(C)c2sc(NC(=O)[C@@H](C)Sc3nncs3)nc12 42713113 BOXLMSNCKHZIRV-SECBINFHSA-N 350.494 3.884 0 40 FHAB COCCCn1c(Sc2ncccn2)nnc1-c1ccccc1Cl 6566051 MUKRWTCPNJPECV-UHFFFAOYSA-N 361.858 3.576 0 40 FHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 105676181 QBDMJGWZBVOBEO-WNRNVDISSA-N 356.514 3.537 0 40 FHAB CCc1n[nH]c(=S)n1NCc1cccc(OC)c1OCc1ccccc1 8339380 HLCIKAKGKADVNQ-UHFFFAOYSA-N 370.478 3.834 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCC(=O)N1Cc1cccs1 1389869 JHQYBFJMNBOUEO-AWEZNQCLSA-N 368.380 3.897 0 40 FHAB O=C(COC(=O)c1c(F)cccc1Cl)Nc1ccc(OC(F)F)cc1 3272204 DGJSIXYYHWBJBB-UHFFFAOYSA-N 373.714 3.876 0 40 FHAB O=C(O[C@@H](c1ccccc1)c1ccncc1)c1ccc(N2CCNC2=O)cc1 95385774 FYJLPHDFZKHWOY-FQEVSTJZSA-N 373.412 3.558 0 40 FHAB O=C(COC(=O)/C=C/c1cccc(Cl)c1)NCCCc1ccccc1 3275510 DPNDDMIONQBEFO-VAWYXSNFSA-N 357.837 3.645 0 40 FHAB CC[C@@H](C)OC(=O)c1nc(C)c(C)nc1C(=O)Nc1cc(C)ccc1C 103184284 IWJWKNWLTDSJQM-CYBMUJFWSA-N 355.438 3.918 0 40 FHAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1cccnc1 27576927 NEEXYBWVMLFRNV-UHFFFAOYSA-N 362.311 3.547 0 40 FHAB Cc1cccc(NC(=O)[C@@H](C)N2CCN(c3ccccc3Cl)CC2)c1 58160606 HOCFWUXLLNKKOF-MRXNPFEDSA-N 357.885 3.798 0 40 FHAB O=c1oc2ccccc2n1CNC1(c2ccc(Br)cc2)CCC1 58102206 RBHDCLIOUODIAW-UHFFFAOYSA-N 373.250 3.984 0 40 FHAB Cc1ccc(C(=O)OCC(=O)Nc2ncc(Cl)c(C)c2Cl)cc1 3388088 CEBOJCOYEFYOJL-UHFFFAOYSA-N 353.205 3.801 0 40 FHAB CCCCNC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12 3376593 VPFPXTODGXIAIT-UHFFFAOYSA-N 362.429 3.975 0 40 FHAB CC(C)N(Cc1cccnc1)C(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 58357229 HOVSYUKAMOGDCP-DNVCBOLYSA-N 351.450 3.727 0 40 FHAB CCc1ccc([C@](O)(CC)[C@@H](CN2CCOCC2)c2ccccc2)cc1 20440948 YLDGIIMMCYOGNH-XZOQPEGZSA-N 353.506 3.963 0 40 FHAB O=C(c1ccccc1)C1CCN(C(=O)c2cnn(-c3ccccc3)c2)CC1 10820063 ANYWQKGKOXGMPI-UHFFFAOYSA-N 359.429 3.607 0 40 FHAB Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3ccc(CO)o3)c2)cc1 20366667 OOPKOZZCWFFXCK-UHFFFAOYSA-N 366.442 3.874 0 40 FHAB COc1cc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)cc(OC)c1 10958260 OXLPALNBLPBXSU-UHFFFAOYSA-N 354.410 3.590 0 40 FHAB CC(C)(C)OC(=O)N1C[C@H](c2ccc(C(F)(F)F)cc2)[C@@H](C(=O)O)C1 2382441 QCXSJRUEERTHEK-OLZOCXBDSA-N 359.344 3.741 0 40 FHAB CS(=O)(=O)c1cccc(C(=O)Nc2cccc(OC3CCCC3)c2)c1 12892151 HTLOXZWVZHUBQB-UHFFFAOYSA-N 359.447 3.664 0 40 FHAB CCn1c(SCc2cn3cccc(C)c3n2)nc2ccccc2c1=O 36725177 XXUAYGAXEXBCBV-UHFFFAOYSA-N 350.447 3.665 0 40 FHAB COc1cc(/C=C/C(=O)N(Cc2ccco2)C2CC2)cc(OC)c1OC 29269158 ISZXOCZTJGIWRV-RMKNXTFCSA-N 357.406 3.510 0 40 FHAB Cc1noc(C)c1CSc1nnc(-c2cc(Cl)ccc2Cl)n1N 3445666 ICDLCPNUDWNKPF-UHFFFAOYSA-N 370.265 3.863 0 40 FHAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccc(Cl)cc1Cl 10314219 GNHPDRVUKTTXFU-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB Cc1cc(NC(=O)COC(=O)c2ccc(C3CCCCC3)cc2)n(C)n1 10460405 JDFGHLXAGOXBEC-UHFFFAOYSA-N 355.438 3.572 0 40 FHAB CCc1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)CC)cc1 10684194 VKGQAZFOUPRERA-HNNXBMFYSA-N 354.450 3.795 0 40 FHAB CCCCc1nc2cc(C(=O)N3CCN(c4ccccn4)CC3)ccc2o1 11879269 MUTQRYYJGUUVNM-UHFFFAOYSA-N 364.449 3.528 0 40 FHAB COCCNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 2636606 TZYCAUWQUPXSOQ-UHFFFAOYSA-N 368.458 3.863 0 40 FHAB CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1ccco1 2626088 SXJLFHKSXKWRQE-SFHVURJKSA-N 356.466 3.648 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NC(C)C 20482650 SANLFYXGFULNTD-LJQANCHMSA-N 370.449 3.630 0 40 FHAB Cc1ccc(NCN2C(=O)S/C(=C\c3ccc4c(c3)OCO4)C2=O)cc1 3657227 HGNNBRNQGWEMOD-MFOYZWKCSA-N 368.414 3.830 0 40 FHAB CCCOc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(OCC)cc2)cc1 3623693 WFKKZAHRCGCMFC-IBGZPJMESA-N 371.433 3.820 0 40 FHAB CC(C)[C@@H](NC(=O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(F)cc1 13008513 ZDJKYWLGGPUZGW-OAQYLSRUSA-N 370.424 3.603 0 40 FHAB C[C@H](Sc1nc(N)c2ccsc2n1)C(=O)Nc1cc(F)ccc1F 9157834 NEMXNNQJTKXEJF-ZETCQYMHSA-N 366.418 3.671 0 40 FHAB C[C@@H](C(=O)Nc1cccc2ccccc12)N1CCN(c2ccccc2)CC1 13141600 MYDUIYXCNQSDOP-SFHVURJKSA-N 359.473 3.989 0 40 FHAB Nc1c(C(=O)c2ccc3c(c2)OCCO3)sc2nc3c(cc12)CCCC3 4074906 RWCGBNIDSRDLDX-UHFFFAOYSA-N 366.442 3.760 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccccc2)c1 5234514 OPCNBLUALOIKFH-UHFFFAOYSA-N 366.870 3.623 0 40 FHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Cc1cn2cccc(C)c2n1 65489029 VLPKLHLHIGEIRR-KRWDZBQOSA-N 351.450 3.917 0 40 FHAB CN(c1cnn(-c2nc3ccccc3n2C)c(=O)c1Cl)C1CCCCC1 5451609 UGUOFQFTUBTETQ-UHFFFAOYSA-N 371.872 3.542 0 40 FHAB Cn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccccc1Cl 4682031 WJZGHXLMSKAWDG-UHFFFAOYSA-N 372.881 3.544 0 40 FHAB Cc1ccc(C(=O)N2CCN3C(=O)c4ccccc4[C@@]23c2ccccc2)cc1 5540528 CPTCERRWJDEQKI-DEOSSOPVSA-N 368.436 3.808 0 40 FHAB Cc1cccc(CCNC(=O)c2nc(C)n(-c3ccccc3Cl)n2)c1 60323342 HXFFMYGCUQMBOF-UHFFFAOYSA-N 354.841 3.510 0 40 FHAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCC(Cc2ccccc2)CC1 4991480 YZTSEAWCBJUNOE-UHFFFAOYSA-N 362.473 3.908 0 40 FHAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1cccnc1Cl 5979274 YUGYZPQYVXQREV-UHFFFAOYSA-N 358.703 3.549 0 40 FHAB COc1cc(C(=O)Nc2cccc(F)c2)cc(OC)c1Br 7071710 UWEFDCJQZRCKSV-UHFFFAOYSA-N 354.175 3.858 0 40 FHAB COc1ccccc1NC(=O)COC(=O)c1csc(-c2cccs2)n1 7074677 YXYOXPZQJGRQED-UHFFFAOYSA-N 374.443 3.676 0 40 FHAB COc1cc(NS(=O)(=O)/C=C/c2ccccc2)c(OC)cc1Cl 7387445 NCTPXLMQKSTZQW-CMDGGOBGSA-N 353.827 3.770 0 40 FHAB O=C(CCc1nc2ccccc2s1)Nc1cccc(C(=O)NC2CC2)c1 9549889 SIHWKWRTGOBUHW-UHFFFAOYSA-N 365.458 3.760 0 40 FHAB COc1ccc(NC(=O)Cc2sc(C)nc2-c2ccc(F)cc2)cn1 7983876 HRUZOLGMCGJXAP-UHFFFAOYSA-N 357.410 3.842 0 40 FHAB O=C(Nc1ccnn1Cc1cc(Br)cs1)C1CCCC1 7978266 PDQAIVCDJLEVHA-UHFFFAOYSA-N 354.273 3.884 0 40 FHAB CCOc1ccc(CN(C)Cn2nc(C)n(C3CC3)c2=S)cc1OC 8105613 KGTJMFSNTFPGRA-UHFFFAOYSA-N 362.499 3.554 0 40 FHAB Cc1nc2cc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)ccc2o1 8110244 CNAMEVBCBXCBNF-UHFFFAOYSA-N 372.324 3.836 0 40 FHAB COc1ccc([C@]2(O)C[N+]3=C(CCCCC3)N2c2ccccc2C)cc1 16944975 LVEMEIDAPZDFPR-JOCHJYFZSA-N 351.470 3.654 0 40 FHAB CCOC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1F 20389965 NKHAWWGOVOGCCL-QGZVFWFLSA-N 355.365 3.597 0 40 FHAB Cc1ccc2nc(CSCc3cc(Cl)c4c(c3)OCO4)cc(=O)n2c1 8751980 YXLFMPKWTXHHBB-UHFFFAOYSA-N 374.849 3.818 0 40 FHAB C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(/C=C2/SC(=O)NC2=O)cc1 96925000 SWWCCDRVQQYBLF-VLURKWGBSA-N 366.442 3.844 0 40 FHAB COCc1cccc(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c1 72294180 CGPXEKSHESRPAP-GOSISDBHSA-N 367.493 3.961 0 40 FHAB CCOc1cc(CNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)ccc1OC 72328230 ZVINUUQXEOUFEY-UHFFFAOYSA-N 369.396 3.553 0 40 FHAB COc1ccc(C2(CN[C@H]3CCN(C(C)=O)Cc4ccccc43)CC2)cc1 95995729 RCKPVUZUFKPCHP-QFIPXVFZSA-N 364.489 3.810 0 40 FHAB CCOc1ccc(-c2nc(C)c(C(=O)N(C)CC3(O)CCCC3)s2)cc1 89991203 YKKMOBRYFISGQT-UHFFFAOYSA-N 374.506 3.894 0 40 FHAB CCCc1noc2nc(C3CC3)cc(C(=O)N[C@@H](CC)[C@H]3CCCO3)c12 89960432 CUMUKVSQQAMQGE-WMLDXEAASA-N 357.454 3.740 0 40 FHAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)NCc1ccccc1 408627595 MDZUHDMEVREENK-UHFFFAOYSA-N 369.273 3.807 0 40 FHAB CCc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 408707623 LARWDHUHQICUNG-KRWDZBQOSA-N 370.880 3.880 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 30852837 SCCUTHVRQJSUOC-SFHVURJKSA-N 356.397 3.749 0 40 FHAB COc1ccc(CC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)c(OC)c1 36633504 YLRWSJGBLCFFSG-UHFFFAOYSA-N 365.433 3.688 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2C)c1 31706010 XDQGVFZXAUFTEI-JKSUJKDBSA-N 357.450 3.965 0 40 FHAB CCCN1CCCc2cc(CCNC(=O)COc3cccc(C)c3)ccc21 35588093 PLMCMUACSPMQND-UHFFFAOYSA-N 366.505 3.895 0 40 FHAB CC(C)(C)OC(=O)NCCCC(=O)c1cccnc1N1CCCCCC1 72216686 WKDGPPDTXABGQH-UHFFFAOYSA-N 361.486 3.950 0 40 FHAB Cc1ccc(NC(=O)[C@H]2[C@H](C)Nc3ncnn3[C@@H]2c2cccs2)c(C)c1 36701741 AVSIXKSRHTWGDQ-RRQGHBQHSA-N 367.478 3.615 0 40 FHAB Cc1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)s1 72393098 WEROTYDXHSECIQ-INIZCTEOSA-N 366.490 3.581 0 40 FHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1nnc(SC(C)C)s1 223302538 JRKAEDDWVLJDLC-ZDUSSCGKSA-N 367.496 3.843 0 40 FHAB COc1ccc(CSCC(=O)NCCOc2ccc(C)c(C)c2)cc1 223433022 KKRUUVZPNCGGGO-UHFFFAOYSA-N 359.491 3.740 0 40 FHAB COc1ccc([C@H](C)NC(=O)CCc2nc(-c3ccccc3)no2)cc1 225797100 IVWRDSHQIPHOHT-AWEZNQCLSA-N 351.406 3.555 0 40 FHAB CCOC(=O)C1CCN(C(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)CC1 223015445 JTECRCFXLFIISC-QGZVFWFLSA-N 367.873 3.608 0 40 FHAB Cc1cccc(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)c1 42645939 PCRSPWZDCKKCOU-UHFFFAOYSA-N 358.441 3.882 0 40 FHAB CC(=O)Nc1cccc(NC(=O)c2snnc2-c2ccc(F)cc2)c1 225781517 HXZLFUKXTHYBLO-UHFFFAOYSA-N 356.382 3.555 0 40 FHAB FC(F)(F)c1cccc(CN2CCOC[C@H](Oc3ccccc3)C2)c1 85435976 BTNCJZBOSGBACO-GOSISDBHSA-N 351.368 3.985 0 40 FHAB biogenic,in-vitro CN(CC1(O)CCCC1)C(=O)c1ccc(Oc2ccccc2Cl)nc1 533569549 QQKIGARGRFYIQZ-UHFFFAOYSA-N 360.841 3.904 0 40 FHAB O=C(Nc1ccccc1)[C@H]1CN(Cc2cccs2)CC12CCOCC2 96052246 ZXWCARLSCPTRLB-GOSISDBHSA-N 356.491 3.615 0 40 FHAB Cc1cccc(COC[C@H]2CN(Cc3ccc(C)s3)Cc3ccnn32)n1 247873798 MYCZRYYGAVMNEG-LJQANCHMSA-N 368.506 3.730 0 40 FHAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)n1 257307692 SZVPNTNVECLYTR-GOSISDBHSA-N 360.461 3.810 0 40 FHAB Cc1cc(N2CCO[C@@H](c3cccc(Cc4ccccc4)n3)C2)nc(C)n1 257225230 FFJOXTRNNPLTCQ-OAQYLSRUSA-N 360.461 3.657 0 40 FHAB Cc1ccc(C)c(-n2nc(C(=O)O)c(N3CC[C@H](c4ccccc4)C3)n2)c1 256046048 CJNVWJVHGPXNHQ-KRWDZBQOSA-N 362.433 3.576 0 40 FHAB COc1ccc([C@@H]2C[C@H]2C(=O)NCC[C@@H]2CCc3ccccc3N2)cc1 662583327 IYTNPJHXNYWMPO-YSIASYRMSA-N 350.462 3.732 0 40 FHAB COc1ccc(CN[C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)cc1 585288679 HHRRFQLZWDOHDM-XUVXKRRUSA-N 361.869 3.799 0 40 FHAB CC(=O)c1c[nH]c(C(=O)/N=c2\[nH]c3ccccc3n2C2CCCCC2)c1 54031984 KYKNSIUEYPGWTQ-UHFFFAOYSA-N 350.422 3.746 0 40 FHAB COc1c(F)cc(NCC(=O)Nc2ccccc2OC(F)F)cc1F 55893629 QKTBDRANFKZYHN-UHFFFAOYSA-N 358.291 3.625 0 40 FHAB FC(F)(F)c1ncccc1Cn1cc(CN[C@@H]2CCc3ccccc32)nn1 641053111 ADNBEKOSICAXEQ-QGZVFWFLSA-N 373.382 3.517 0 40 FHAB CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1ccc2ncccc2c1 2110965 DOGZCOKBQKEFJB-RGPPVUSESA-N 355.441 3.872 0 40 FHAB biogenic COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 14001191 UTFWTFHZELNADI-SDNWHVSQSA-N 364.445 3.973 0 40 FHAB CN(Cc1cc(=O)n2nc(C3CCCCC3)sc2n1)c1ccccc1 15731919 VACJPZGBMFJNEO-UHFFFAOYSA-N 354.479 3.835 0 40 FHAB Cc1ccc(OCC(=O)NC[C@H](c2ccc(C)o2)N2CCC(C)CC2)cc1 15860292 MUPMOJQNWLHFEJ-HXUWFJFHSA-N 370.493 3.865 0 40 FHAB O=C(COc1ccc(N2CCCC2=O)cc1)Nc1cc(Cl)ccc1F 16962966 NJYFJNIZEYSBJT-UHFFFAOYSA-N 362.788 3.623 0 40 FHAB COc1ccc2[nH]c(C)c(CCNCc3cccc(OC)c3OC)c2c1 19798239 XKHOBHJTSNBSCX-UHFFFAOYSA-N 354.450 3.834 0 40 FHAB CC(C)/N=C1\S/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1C(C)C 6324922 ZYUKTCCLWXPVBV-BIXZQSIESA-N 373.522 3.612 0 40 FHAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)NCc1ccccc1Cl 5127260 JNQHSMHESZKMNN-UHFFFAOYSA-N 361.869 3.716 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)CCCn1c(=O)oc2ccccc21 8074874 MPWBGZARHQRVHH-INIZCTEOSA-N 352.434 3.512 0 40 FHAB CCc1cc(N2CCN(c3nc4ccc(F)cc4o3)CC2)nc(C2CC2)n1 1888916384 JQFSCQDROIZCTI-UHFFFAOYSA-N 367.428 3.523 0 40 FHAB Cc1cc(S(=O)(=O)N[C@H](C)c2ccccc2)ccc1Br 7308045 DQSYSRIYWRIILI-GFCCVEGCSA-N 354.269 3.797 0 40 FHAB COCCn1cc(NC(=O)NCc2cccc(OC)c2)c2ccccc21 5266436 KUQGYFSGYXCVBZ-UHFFFAOYSA-N 353.422 3.618 0 40 FHAB COCC(=O)N1CCCc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc21 22502975 LIYPYOAQFYQIKF-UHFFFAOYSA-N 373.840 3.910 0 40 FHAB O=C(COc1ccc(-c2ccccc2)cc1)N1CC(OCC(F)(F)F)C1 585365463 DVEGKGVWQRBPNP-UHFFFAOYSA-N 365.351 3.522 0 40 FHAB COC[C@@H](C)N(C)C(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C 40145777 NJADCXBDFAQRIE-SNVBAGLBSA-N 359.451 3.675 0 40 FHAB O=C(Cn1ccc2ccc(Br)cc21)NCCCc1ccco1 20717066 PVCLZWGHUXZYQK-UHFFFAOYSA-N 361.239 3.746 0 40 FHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1nnc(-c2cccs2)o1 102297757 STACTNWNQXRPHF-GRYCIOLGSA-N 351.497 3.831 0 40 FHAB COC(=O)c1ccc(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)cc1 32832469 BVDIPEIVDNRRGK-UHFFFAOYSA-N 366.339 3.810 0 40 FHAB C[C@@]1(C(=O)Nc2ccccc2C(=O)N2CCCCC2)CC1(Cl)Cl 22191054 UWKCVYUWTDXQGO-INIZCTEOSA-N 355.265 3.835 0 40 FHAB O=C(NC(=S)Nc1cccc(CO)c1)c1ccc(-c2ccccc2)cc1 675587 JBJANFNKRULZHU-UHFFFAOYSA-N 362.454 3.973 0 40 FHAB CCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nc2ccccc21 885381 HQAZUZVCXRJUDG-UHFFFAOYSA-N 369.446 3.574 0 40 FHAB CC1CCN([C@@H](c2ccccc2)c2nnnn2Cc2ccc(F)cc2)CC1 1330465 LYFMDSAICSSWSU-FQEVSTJZSA-N 365.456 3.682 0 40 FHAB Cc1cccc2cc(CN(C(=O)[C@@H]3CCCO3)C3CCCCC3)c(=O)[nH]c12 1346726 WLONLZIJCLYCDX-IBGZPJMESA-N 368.477 3.677 0 40 FHAB COc1cccc(NC(=O)CSc2nsc3nc4ccccc4n23)c1 1455319 SEBLREFYKKHACP-UHFFFAOYSA-N 370.459 3.683 0 40 FHAB CN(C)S(=O)(=O)c1ccc(NC(=O)OC2CCCCCCC2)cc1 1703568 XWVJGMBAQATMDH-UHFFFAOYSA-N 354.472 3.598 0 40 FHAB O=C(NCCNC(=O)Nc1ccccc1Cl)Nc1ccccc1Cl 1732313 VGHSYPSIBGVAND-UHFFFAOYSA-N 367.236 3.937 0 40 FHAB COC(=O)c1oc(COc2ccc3c4c(c(=O)oc3c2)CCCC4)cc1C 2139380 XBVDPBYIUZCPJQ-UHFFFAOYSA-N 368.385 3.939 0 40 FHAB biogenic Fc1ccc(NC(=S)NNC(=S)Nc2cccc(Cl)c2)cc1 2638190 NTDKRMSDACOADQ-UHFFFAOYSA-N 354.863 3.667 0 40 FHAB Cc1cc(NC(=O)c2cc(=O)c3ccccc3o2)n(-c2ccccc2C)n1 3264821 MBECWTPBAGIPIT-UHFFFAOYSA-N 359.385 3.848 0 40 FHAB Cc1ccccc1NC(=O)COC(=O)Cc1cccc(C(F)(F)F)c1 3311232 QGADVPTUSRMQOQ-UHFFFAOYSA-N 351.324 3.738 0 40 FHAB O=C(c1cccs1)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1 5182071 VXVFTCGFLKTKTJ-UHFFFAOYSA-N 365.430 3.598 0 40 FHAB CC(C)[C@@H](NC(=O)COc1ccccc1)c1ccc2c(c1)OCCCO2 5407882 PBIQMTBYJAJRIT-OAQYLSRUSA-N 355.434 3.740 0 40 FHAB CC1CCN(C(=O)COC(=O)c2ccccc2OCc2ccccc2)CC1 5415873 FQHGOWNTFPARNT-UHFFFAOYSA-N 367.445 3.681 0 40 FHAB C[C@H](OC(=O)c1ccccc1Br)c1nc2ccccc2c(=O)[nH]1 5664966 KDRYCVKSMUUWTA-JTQLQIEISA-N 373.206 3.604 0 40 FHAB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(OC)cc2)cc1 6630595 IZZSLWAWQZCNKA-ZDUSSCGKSA-N 358.463 3.920 0 40 FHAB Cc1nnc(SCc2nnc(-c3cccs3)o2)n1-c1ccccc1 6654389 CVODPYWPGAQUKP-UHFFFAOYSA-N 355.448 3.980 0 40 FHAB COc1cc(CNC(=O)c2cc(-c3ccccc3)[nH]n2)ccc1OC(F)F 7775953 IVEKYDGRYYCYEU-UHFFFAOYSA-N 373.359 3.617 0 40 FHAB O=C(/C=C/c1ccc(Br)o1)Oc1ccc(-c2nnco2)cc1 7813874 DIFWKLVNRNKWLO-SOFGYWHQSA-N 361.151 3.711 0 40 FHAB Cc1cc(CSc2nnc(-c3cccnc3)n2Cc2ccccc2)no1 7830939 NOKBFXPBBIQGNS-UHFFFAOYSA-N 363.446 3.977 0 40 FHAB CC(=O)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 7928649 BQTGYJJYCRTZCS-OAHLLOKOSA-N 371.820 3.810 0 40 FHAB CCN(CC)C(=S)S[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21 7980060 NELQUEVWFPYVED-XJKSGUPXSA-N 350.553 3.929 0 40 FHAB Cc1[nH]c(SCC(=O)N[C@H](C)c2cccnc2)nc1Cc1ccccc1 7988032 DECNSNFXASBTIB-CQSZACIVSA-N 366.490 3.673 0 40 FHAB Cc1ccc(CCCNC(=O)c2cccc(CN3CCCC3=O)c2)c(C)c1 8406194 SROFCECQPYLYEI-UHFFFAOYSA-N 364.489 3.788 0 40 FHAB Cc1coc2cc3oc(=O)c(CC(=O)Nc4nccs4)c(C)c3cc12 8764515 OIKNZPYBUUCUBM-UHFFFAOYSA-N 354.387 3.794 0 40 FHAB biogenic COc1ccc(CCNC(=O)C2CCN(Cc3ccccc3C)CC2)cc1 9062894 XJEUQGWTPDESQO-UHFFFAOYSA-N 366.505 3.575 0 40 FHAB CC(C)Oc1ccc(C(=O)NCC(=O)N2CCC[C@H]2c2ccccc2)cc1 9895631 LKIFPDBIBSTFBS-FQEVSTJZSA-N 366.461 3.567 0 40 FHAB CCOc1ccccc1CCCNC(=O)/C=C/c1ccc(OC)c(OC)c1 10110855 CWIIYMUVFDQKCI-WYMLVPIESA-N 369.461 3.865 0 40 FHAB CSc1ccccc1NC(=O)C(=O)N1CCC(Cc2ccccc2)CC1 10326680 VSBDLWXWQZNRTB-UHFFFAOYSA-N 368.502 3.828 0 40 FHAB COc1ccc2c(c1)CCCN2C(=O)CN1CCc2sccc2[C@H]1C 11474065 YJMOKIOUOOBFMV-CQSZACIVSA-N 356.491 3.655 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)CSc1ncn(-c2ccccc2)n1 11474769 FMZFTIZCDVMTLA-UHFFFAOYSA-N 358.854 3.960 0 40 FHAB Cc1ccc(CN(C)C(=O)CSc2ncn(-c3ccccc3)n2)c(C)c1 12268352 WXDDNSCYZKWBAH-UHFFFAOYSA-N 366.490 3.635 0 40 FHAB COc1ccc(-c2csc(NC(=O)CSc3nc(C)c(C)[nH]3)n2)cc1 12372635 GOOLICKFJFHPLS-UHFFFAOYSA-N 374.491 3.889 0 40 FHAB O=C(NCCc1cn2ccccc2n1)C1c2ccccc2Oc2ccccc21 12666364 GIWGWWCFYMFWTF-UHFFFAOYSA-N 369.424 3.931 0 40 FHAB Cc1nc(-c2ccsc2)sc1C(=O)OCc1ccc(C(N)=O)cc1 12902920 ITSRWGRALVJBAL-UHFFFAOYSA-N 358.444 3.636 0 40 FHAB COc1ccc2cc(CN(C)[C@@H](C)C(=O)NCc3ccccc3)ccc2c1 12999913 GDQIDGKTQBKINW-KRWDZBQOSA-N 362.473 3.985 0 40 FHAB O=C(Cc1ccc(F)cc1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 13267170 BRASNGWPDPGMKD-FQEVSTJZSA-N 363.436 3.807 0 40 FHAB CCc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1CC 13992537 WEXXHUPASNMGDS-UHFFFAOYSA-N 358.389 3.610 0 40 FHAB Cc1ccc(-c2noc(CSc3nnc(-c4cccnc4)n3C)n2)cc1 14115646 WJTRJTQEIGCVNI-UHFFFAOYSA-N 364.434 3.528 0 40 FHAB COCc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 15567326 DXBMAXDGGQTHLU-SFHVURJKSA-N 353.418 3.582 0 40 FHAB O=C(c1ccccn1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 16014661 NPJFFAOOVMVYSF-UHFFFAOYSA-N 354.797 3.590 0 40 FHAB CC(=O)N1N=C(c2ccc(C(C)(C)C)cc2)Sc2c1nc(C)n2C(C)=O 16777670 UKURMZBWVUAJSH-UHFFFAOYSA-N 370.478 3.970 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 18109367 GBNDMJMRHUKKJA-CHWSQXEVSA-N 361.825 3.756 0 40 FHAB CCSc1nc2nc(C)c(Cc3cccc4ccccc34)c(O)n2n1 18240889 QCPZPENXUOYBIL-UHFFFAOYSA-N 350.447 3.994 0 40 FHAB Cc1ccc(-c2nnc(C3CCN(C(=O)c4ccccc4C)CC3)o2)cn1 19236764 LGZIRAJLUDCIFE-UHFFFAOYSA-N 362.433 3.768 0 40 FHAB C[C@@H](OC(=O)C1=Cc2ccccc2OC1)c1nnc(-c2cccs2)o1 19356624 XBTBJTNFMMVSMB-LLVKDONJSA-N 354.387 3.878 0 40 FHAB Cc1ccc2ncnc(NCCC(=O)Nc3cccc(-n4cccn4)c3)c2c1 19659589 MFBDUVSGVUGVKM-UHFFFAOYSA-N 372.432 3.565 0 40 FHAB CC(C)(CNC(=O)c1cccc(CN2CCCC2=O)c1)c1ccccc1F 19717157 JUNRXVNETKTZTQ-UHFFFAOYSA-N 368.452 3.656 0 40 FHAB O=C(NCCc1csc(-c2cccnc2)n1)c1ccc(F)c(F)c1F 19942452 DLOOJJURGREZOM-UHFFFAOYSA-N 363.364 3.595 0 40 FHAB CC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccccc1 20044476 TXNPWWDOYJVITH-MRXNPFEDSA-N 366.870 3.593 0 40 FHAB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc2nsnc2c1 21595717 KDLJNOPIRCUIOW-UHFFFAOYSA-N 372.413 3.678 0 40 FHAB C[C@@H](NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 22540689 YHWCENGRBNEODH-SNVBAGLBSA-N 354.303 3.660 0 40 FHAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)NCc3cccnc3)c12 22836603 MEWVFMXJXJCIIH-UHFFFAOYSA-N 362.364 3.662 0 40 FHAB CCN1CCc2nc3ccccc3c(C(=O)Nc3cccc(OC)c3)c2C1 23873141 IWTSJYHHVZKTBB-UHFFFAOYSA-N 361.445 3.874 0 40 FHAB Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)c3ccco3)s2)cc1 24137324 IBPLUAIYVZXKJH-UHFFFAOYSA-N 369.398 3.942 0 40 FHAB O=C(Nc1cccc(-c2nnco2)c1)c1ccccc1OC[C@@H]1CCCO1 24739144 PINPPLWMASWPJN-INIZCTEOSA-N 365.389 3.547 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)c2n[nH]c3ccccc23)cc1OC 24969858 GRCCQTAMVAULDY-MRXNPFEDSA-N 351.406 3.557 0 40 FHAB O=C(CN1CCN(Cc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 25763671 GEENDGSNKHZITE-UHFFFAOYSA-N 352.522 3.590 0 40 FHAB C[C@@H](OC(=O)CCc1nc(-c2cccs2)no1)C(=O)c1ccccc1 29517585 BXKZRJABTXZPER-GFCCVEGCSA-N 356.403 3.545 0 40 FHAB O=C(CCc1nc(-c2ccccc2)no1)OCc1cccc2cccnc12 29890928 UZWBLTYTRVINJO-UHFFFAOYSA-N 359.385 3.961 0 40 FHAB O=C1c2ccccc2C(=O)N1Cc1nc(-c2ccc3c(c2)CCO3)cs1 30448374 GSIGLGFSWWIEJT-UHFFFAOYSA-N 362.410 3.541 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1C 31665428 OFHWXPBHRIHJBX-KRWDZBQOSA-N 354.450 3.546 0 40 FHAB COc1cc(C(C)=O)ccc1OC(=O)c1cc(Cl)c2c(c1)OCCO2 32531523 ORLGDVGKHHAMDJ-UHFFFAOYSA-N 362.765 3.542 0 40 FHAB CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccccc2N2CCCCC2)CC1 32716694 USMWGQHGJVMRCD-UHFFFAOYSA-N 371.525 3.900 0 40 FHAB Cc1sc2nc(CN3CCOCC3)nc(N3C[C@@H](C)C[C@H](C)C3)c2c1C 33012199 BHMIENDXJZZZOQ-KBPBESRZSA-N 374.554 3.623 0 40 FHAB Cc1c(-c2nn3c(-c4cccc(Cl)c4Cl)nnc3s2)cnn1C 36352683 IYMSAUGUUJQSQH-UHFFFAOYSA-N 365.249 3.869 0 40 FHAB Cc1cc(CNc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2F)no1 40071594 FVHHGEJIRYAPDX-UHFFFAOYSA-N 369.352 3.715 0 40 FHAB CC(C)C(=O)Nc1ccc(C(=O)Oc2ccc(N3CCCC3=O)cc2)cc1 40073839 YODJKHLJAPHHEN-UHFFFAOYSA-N 366.417 3.627 0 40 FHAB COc1ccc(N2C(=O)[C@@H](Oc3ccccc3F)[C@H]2c2cccnc2)cc1 40156592 KAMGYSISSYITNM-UXHICEINSA-N 364.376 3.765 0 40 FHAB CN(C)C(=O)c1cccc(CNC(=O)c2ccc3c4c(cccc24)CC3)c1 43773099 XYOVYCYCCBHCLH-UHFFFAOYSA-N 358.441 3.570 0 40 FHAB Fc1ccc(NC(=S)NCCCN2CCc3ccccc3C2)c(F)c1 46103177 FAFRSVIBYKLEIR-UHFFFAOYSA-N 361.461 3.700 0 40 FHAB O=C(c1ccccc1NCc1ccccc1C(F)(F)F)N1CCOCC1 46490864 QYIYPBRTZURNRK-UHFFFAOYSA-N 364.367 3.790 0 40 FHAB Cc1csc(Sc2ccc(NC(=O)CN3CCSC3=O)cc2)n1 47192535 HROQNUSVVINPBR-UHFFFAOYSA-N 365.505 3.710 0 40 FHAB Cc1cc([C@H](C)NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)c(C)s1 47448134 VRUOUFJWCXXERM-LBPRGKRZSA-N 371.437 3.541 0 40 FHAB Cc1cc(C)c(OCC(=O)Oc2ccc(N3CCOC3=O)cc2)c(C)c1 47504107 JZLNDGYEUPEYQA-UHFFFAOYSA-N 355.390 3.553 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)NCc1ccc(N2CCCCCC2)nc1 48253089 ZHGWIKOTULGCOJ-UHFFFAOYSA-N 362.477 3.802 0 40 FHAB O=S(=O)(c1ccc(Cl)c(Cl)c1)N(Cc1ccncc1)C1CC1 48332317 MNLVDCAWMMHILC-UHFFFAOYSA-N 357.262 3.742 0 40 FHAB Cc1cccc2c(=O)[nH]c(CN[C@@H](C)c3ccccc3Br)nc12 49597284 UWVWUZVYKCAKMA-LBPRGKRZSA-N 372.266 3.845 0 40 FHAB O=C(NCCc1ccc2c(c1)OCO2)Nc1ccccc1N1CCCCC1 57849733 QUXTWICXYJEHPJ-UHFFFAOYSA-N 367.449 3.770 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(-n3cccc3C(=O)O)c(C)c2)cc1 58185575 IBPZENBSRAVMKC-UHFFFAOYSA-N 370.430 3.593 0 40 FHAB CN(C)C(=O)c1cccc(CSc2nnc(NCc3ccco3)s2)c1 58191313 NHBZTTRQUQZAHI-UHFFFAOYSA-N 374.491 3.737 0 40 FHAB O=C(Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)c1ccoc1 58289407 ZXYFXHVTTJUFAE-UHFFFAOYSA-N 350.147 3.824 0 40 FHAB CCCn1c(=O)n(C[C@@H](O)COc2ccccc2C(C)C)c2ccccc21 58647829 CKPYNCYQYZOWEB-QGZVFWFLSA-N 368.477 3.776 0 40 FHAB CCOC(=O)C1CCN([C@@H](C)C(=O)c2c(C)[nH]c3cc(C)ccc23)CC1 59866373 ZOTSXTWPWNFHMW-HNNXBMFYSA-N 356.466 3.631 0 40 FHAB CN(Cc1c(F)cccc1Cl)C(=O)[C@@H](c1ccccc1)n1cccn1 65736851 NFFCLGMFNJRURS-GOSISDBHSA-N 357.816 3.924 0 40 FHAB COc1cccc(-c2cc3c(N4CCc5ccccc5C4)nccn3n2)c1 67284830 IJLSCKMGJJJRFX-UHFFFAOYSA-N 356.429 3.968 0 40 FHAB Cc1cccc(OC(F)F)c1NC(=O)NCC[C@H](O)c1ccccc1 72309893 PELGTNQKPLQGMH-AWEZNQCLSA-N 350.365 3.842 0 40 FHAB CC(=O)N(CCC(=O)N(C)[C@@H](C)Cc1ccsc1)Cc1ccccc1 72311350 NDAGPRBGUPBYDE-INIZCTEOSA-N 358.507 3.576 0 40 FHAB COc1cccc(-c2noc([C@H]3CCN(Cc4ccccc4F)C3)n2)c1 72369854 RWBGZLATOQLGJR-INIZCTEOSA-N 353.397 3.874 0 40 FHAB Cc1cccnc1Nc1nccc([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 72377949 GHWHIORAFRWTIO-KRWDZBQOSA-N 365.481 3.820 0 40 FHAB Cn1nc(-c2ccccc2Cl)cc1C(=O)Nc1nc2c(s1)CCC2 72404469 FPHXZMUDPZLELA-UHFFFAOYSA-N 358.854 3.938 0 40 FHAB CC[C@H]1CN(Cc2nnc(-c3ccccc3OC)o2)c2ccccc2O1 75840584 LKEWOXUMWITZAL-AWEZNQCLSA-N 351.406 3.923 0 40 FHAB COc1ccc2nc(C(=O)Nc3ccc4nc(N(C)C)oc4c3)ccc2c1 79095125 RIIWMCKDKQUYNT-UHFFFAOYSA-N 362.389 3.703 0 40 FHAB O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 91690217 RABMLCQOAFNPSS-MRXNPFEDSA-N 356.397 3.813 0 40 FHAB CN(C)c1cc(C(F)(F)F)cc(-c2ccc(-c3ccnc(N)n3)cc2)n1 91695695 RJXNHDGGPKOIKI-UHFFFAOYSA-N 359.355 3.873 0 40 FHAB COc1ccc(CCc2nc3nccc(-c4cccc(OC)c4)n3n2)cc1 95476183 LXCOETCFSTXVSH-UHFFFAOYSA-N 360.417 3.594 0 40 FHAB Cc1ccc(CN2CCC3(CC2)C[C@H](OCc2cccnc2)CO3)s1 96047876 HGUHSELATNMKKN-SFHVURJKSA-N 358.507 3.792 0 40 FHAB Cc1cccc(CN2CCC[C@@]3(CCN(Cc4csc(C)n4)C3)C2)n1 96071605 ACZLNFRDGIGIFB-HXUWFJFHSA-N 356.539 3.643 0 40 FHAB O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(OC(F)(F)F)cc1 105921683 PSSDIAVXEHXKPO-AVGNSLFASA-N 371.355 3.893 0 40 FHAB NC(=O)c1ccc(OCc2ccc(F)cc2Cl)c(Br)c1 216819285 ABSUIKMWENTROX-UHFFFAOYSA-N 358.594 3.920 0 40 FHAB O=C(CC(F)(F)F)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 220700814 ZAWLTPZVIXSBSX-LLVKDONJSA-N 371.334 3.609 0 40 FHAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccnc2)S1 222587456 HELJNOWUMUFVJA-ZMYBRWDISA-N 361.474 3.857 0 40 FHAB CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCc1ccccc1Cl 222898670 QCZVLXDSSPFFNC-CYBMUJFWSA-N 362.832 3.533 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 222995380 XNFODAMEXIPUPA-IBGZPJMESA-N 372.896 3.744 0 40 FHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCCN1CCCCCC1 223248832 MPBJWBUESNKRTF-SFHVURJKSA-N 358.526 3.715 0 40 FHAB COc1ccc(OCc2cc(C(=O)NCc3ccco3)ccc2OC)cc1 224263152 ONDZVSGXQURZFH-UHFFFAOYSA-N 367.401 3.806 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2cnc(Oc3ccccc3F)nc2)c1 224282383 DOKQHTUYTOLBEA-UHFFFAOYSA-N 369.352 3.678 0 40 FHAB COc1ccc(OCCNC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 224422613 FCFXVGKFPMFZRI-MRXNPFEDSA-N 357.450 3.781 0 40 FHAB COc1ccc(NC(=O)c2ccc(C)cc2I)cc1 225010198 GUTNBXKFBKBKAM-UHFFFAOYSA-N 367.186 3.861 0 40 FHAB CCOc1ccc(C(=O)NCCOc2ccc(C)c(C)c2)cc1OCC 225066096 REFAWSGSGVOSEA-UHFFFAOYSA-N 357.450 3.910 0 40 FHAB COc1ccc(CCC(=O)NCCn2nc(-c3cccs3)cc2C)cc1 225577319 MOIJXLLTHIKZDG-UHFFFAOYSA-N 369.490 3.678 0 40 FHAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc3c(c2)OCCO3)cc1 225641406 PCRLWYWWDCUMLS-AWEZNQCLSA-N 358.463 3.520 0 40 FHAB CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2ccc(C(C)C)cc2)c1 225967285 TZHNJXYYXBYAFS-UHFFFAOYSA-N 360.479 3.848 0 40 FHAB Cc1cc(C)c(OCC(=O)Nc2ccc(N)cc2C)c(Br)c1 227145335 AQDNQFPZUFYNNQ-UHFFFAOYSA-N 363.255 3.974 0 40 FHAB Cc1cc(CC[C@H]2CCCN2C(=O)CCCn2nc(C)cc2C)ccn1 257200603 AEAAAIHISYQFNH-HXUWFJFHSA-N 354.498 3.607 0 40 FHAB O=C(c1ccc2ccccc2n1)N1CCC[C@H](c2ccc3cn[nH]c3n2)C1 257266855 MEWCVKBGOPXGRG-INIZCTEOSA-N 357.417 3.526 0 40 FHAB O=C(C1CCC1)N1CC[C@@H](c2ccnc3ncc(-c4ccc(F)cc4)n23)C1 257278828 ODVHIBOIUPWLBM-MRXNPFEDSA-N 364.424 3.651 0 40 FHAB Cc1cc([C@@H]2CCCN2Cc2cnn(-c3ccccc3C(=O)O)c2)ccn1 257344545 ZXSPRRZTYTXSSL-IBGZPJMESA-N 362.433 3.611 0 40 FHAB Fc1cccc(CN2CC[C@]3(C2)CN(Cc2cccnc2)c2cccnc23)c1 306132516 LLEYJPPMVHRGTQ-QHCPKHFHSA-N 374.463 3.780 0 40 FHAB CCN1CCC[C@@]2(CN(Cc3ccc(Cl)cc3)CC(F)(F)C2)C1=O 306140690 VAWCZITXYCBVBD-QGZVFWFLSA-N 356.844 3.810 0 40 FHAB Cc1cccc2c1N(C1CC1)CCN2C(=O)c1c(-c2ccncc2)noc1C 330125420 LYOINGSFVIHFPY-UHFFFAOYSA-N 374.444 3.983 0 40 FHAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC)c(Cl)c2)cc1 408590361 GHXNNFKCALHETR-UHFFFAOYSA-N 355.843 3.938 0 40 FHAB Cc1cccc(NC(=O)[C@@H]2CCC(=O)N2C(=O)OCc2ccccc2)c1C 408738271 QYTZWJJFVQHUAE-SFHVURJKSA-N 366.417 3.570 0 40 FHAB COCCN1C(=O)S/C(=C/c2cccn2-c2cccc(C)c2C)C1=O 409136258 SCTCIUDSHBFAOA-SFQUDFHCSA-N 356.447 3.777 0 40 FHAB COc1cc2c(cc1C[C@H]1SC(=O)N(c3ccc(C)cc3)C1=O)OCO2 409161694 OZTNZMMTMLHFMT-QGZVFWFLSA-N 371.414 3.543 0 40 FHAB CCN(CC)C(=O)CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 409365353 YTRORJYZNJNZBG-UHFFFAOYSA-N 374.506 3.597 0 40 FHAB c1cc(CN(Cc2ccc3c(c2)CNCC3)[C@H]2CC23CCNCC3)cs1 577404377 KOAXMLVMENRPTM-NRFANRHFSA-N 367.562 3.538 0 40 FHAB C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1Cc1ccc(Oc2ccccc2)o1 583615070 WPSJJOYJDQVMOP-SBHAEUEKSA-N 357.450 3.824 0 40 FHAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)C1(c2ccc(F)cc2)CC1 585147925 HYFYEAYUCLNTOA-LJQANCHMSA-N 365.404 3.967 0 40 FHAB C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CC[C@H]2CC[C@H]1OC2 1134796391 GCSLRLMRSDDUEU-JWZBEHFJSA-N 355.400 3.958 0 40 FHAB CCS(=O)(=O)c1cccc(NC(=O)N[C@H]2CCC(C)(C)C[C@@H]2C)c1 1322321937 AYCVPSYTZIMUQJ-BBRMVZONSA-N 352.500 3.817 0 40 FHAB CC[C@@H](CC(=O)N1CC[C@@H](N(C)C(=O)c2ccoc2)C1)c1ccc(C)cc1 1775996826 JTRHKYNGMXVIHW-FXAWDEMLSA-N 368.477 3.845 0 40 FHAB Cc1c(Cl)cccc1C(=O)N1CCC2(CC1)CC(=O)N(CC1CC1)C2 2055796055 PUFWYZMDPFSKOC-UHFFFAOYSA-N 360.885 3.513 0 40 FHAB Cc1ccc(CN2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@@H]32)o1 2086884446 VDTZZKPXGPVUGV-BBRMVZONSA-N 351.372 3.713 0 40 FHAB COc1cc(OC)c2ccc(=O)oc2c1C/C=C(/C)COC(=O)CC(C)C 2332243384 OIXJLHHQNPGASM-NSIKDUERSA-N 374.433 3.888 0 40 FHAB Nc1nc2c(s1)[C@H](c1ccccc1OCc1ccc(F)cc1)CC(=O)N2 12375443 CUGXSERTFKFKJU-AWEZNQCLSA-N 369.421 3.918 0 40 FHAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc2ccccc2n1 8983043 SLJANTNMDZWMEC-AVRDEDQJSA-N 357.457 3.991 0 40 FHAB COc1ccc(NC(=O)[C@H](Cc2cc(C)cc(C)c2)[C@H](C)C(=O)O)cc1 727572 LCTABTLCJSWZRG-HNAYVOBHSA-N 355.434 3.830 0 40 FHAB NC(=O)c1cccc(-c2nc(-c3cc4c(cc3F)NC(=O)CC4)cs2)c1 78624019 ZHBBMJRXQWCGPH-UHFFFAOYSA-N 367.405 3.600 0 40 FHAB COc1ccc(-c2csc(N3C(=O)CS[C@@H]3c3ccncc3)n2)cc1 1087329 JXXNAHCPWCWYCY-QGZVFWFLSA-N 369.471 3.992 0 40 FHAB Cn1c(N2CCN(C(=O)Nc3ccccc3Cl)CC2)nc2ccccc21 1370872 IOQVVWHCSUJHPT-UHFFFAOYSA-N 369.856 3.581 0 40 FHAB CC(=O)n1cc([C@H]2CC(=O)OC3=C2CC(=O)C(C)(C)C3)c2ccccc21 1725130 CBFYXNRORDQHOA-AWEZNQCLSA-N 351.402 3.975 0 40 FHAB O=C(O)[C@@H](c1ccc2ccccc2c1)N1CCN(c2ccc(F)cc2)CC1 2527379 BRWWTKGNWWWPPR-OAQYLSRUSA-N 364.420 3.927 0 40 FHAB Cc1nc(-c2ccccn2)sc1-c1nn2c(C(F)(F)F)nnc2s1 61717651 WHYLTSNWBVUWTJ-UHFFFAOYSA-N 368.369 3.699 0 40 FHAB Cc1ccc(C(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)c2)cc1C 4603161 GSIUFUBNIGAUMP-GQSCTRQFSA-N 371.436 3.846 0 40 FHAB O=C(NCc1ccccn1)c1cc(-c2ccccc2)nn1-c1ccccc1 6269758 ZNIBEUMOASAQGA-UHFFFAOYSA-N 354.413 3.864 0 40 FHAB C[C@H](CNC(=O)c1nnc(Cc2c(F)cccc2Cl)o1)c1ccccc1 6822552 LNDCKMSYYGMHNP-GFCCVEGCSA-N 373.815 3.986 0 40 FHAB Cc1nnc(SCC(=O)N2CCCCCC2)n1-c1ccc(Cl)cc1 6969501 UMEGTLJGLIIYRY-UHFFFAOYSA-N 364.902 3.724 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)OC[C@H]1CC1(Cl)Cl 7293673 SYLGANYNLGGBHK-CQSZACIVSA-N 353.249 3.899 0 40 FHAB O=c1cc(COc2ccc(Br)cc2Cl)nc2ccccn12 8704335 GRVDKJLXILLCMX-UHFFFAOYSA-N 365.614 3.689 0 40 FHAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)[C@H]1CCC[C@@H](C(F)(F)F)C1 106110631 WSQPDURRNZVUOI-HRCADAONSA-N 354.416 3.998 0 40 FHAB CN(C)Cc1cccc(NC(=O)[C@@H]2CC(c3ccc(Cl)s3)=NO2)c1 55308279 KXFLNYOSYWVWEC-AWEZNQCLSA-N 363.870 3.595 0 40 FHAB COc1ccc(C(=O)n2ccc(-c3ccc(Oc4ncccn4)cc3)n2)cc1 1402022 SCBVNHNQSMQVGM-UHFFFAOYSA-N 372.384 3.830 0 40 FHAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc2c(c1)NC(=O)CO2 25672911 IMCBCOGMOIPEEQ-KBPBESRZSA-N 367.449 3.970 0 40 FHAB O=c1[nH]c(CN2CCC[C@@H]2c2nc3ccccc3s2)nc2ccccc12 25606751 RQSCCALMDSILTG-MRXNPFEDSA-N 362.458 3.870 0 40 FHAB O=C(NCCc1cccs1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 25717269 VMJPMGITYDMFAI-MRXNPFEDSA-N 364.470 3.613 0 40 FHAB CS(=O)(=O)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 57021698 DOINIZWZRPTUGT-UHFFFAOYSA-N 359.369 3.889 0 40 FHAB COC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1ccc(Cl)cc1 12655516 BUFYSRXMCINPCT-QGZVFWFLSA-N 366.808 3.531 0 40 FHAB COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CC=C(C)CC1)N(C)CC3)OCO2 35882691 XPECFPNIEZESQR-ZBFHGGJFSA-N 357.450 3.659 0 40 FHAB biogenic COc1ccc(Cl)cc1CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C 12613831 SQDJCZCGELDELE-UHFFFAOYSA-N 374.868 3.571 0 40 FHAB COc1ccc(-c2csc(NC(=O)/C=C/c3nccs3)n2)c(OC)c1 58173531 PWVRLMYWTLASAP-AATRIKPKSA-N 373.459 3.936 0 40 FHAB Cc1cc(C)n(C[C@@H](C)CNCc2cc(Cl)c3c(c2)OCCCO3)n1 58171310 AFHMNUOCYFHADK-ZDUSSCGKSA-N 363.889 3.741 0 40 FHAB O=C(NC1CCN(C(=O)c2ccc(Cl)cc2F)CC1)C1CCCCC1 58190810 UPPIMLNFWPGDNM-UHFFFAOYSA-N 366.864 3.780 0 40 FHAB O=C([C@H]1C[C@@H]1c1cccc(Cl)c1)N1CCCN(c2nccs2)CC1 58245126 IQMZJXSCPUTVTN-CVEARBPZSA-N 361.898 3.639 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)NCc1ccccc1Cn1cccn1 10542795 JZJQBIPOXKKKEP-UHFFFAOYSA-N 358.445 3.662 0 40 FHAB Cc1cccc(N[C@@H]2CC(=O)N(c3ccccc3Br)C2=O)c1C 101276873 AEWGNXRKNRXBFG-OAHLLOKOSA-N 373.250 3.810 0 40 FHAB Cc1ccc(-n2c(SCC(=O)OC(C)C)nnc2-c2ccccn2)cc1 2237420 CAQGJIJBUSXSML-UHFFFAOYSA-N 368.462 3.681 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)c2ccccc2OC(F)F)c1 28054958 ODQIKIJASJWYAS-ZDUSSCGKSA-N 355.406 3.944 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)C23CC4CC(CC(C4)C2)C3)c1 10800525 NGWLCVRLCFFYAP-XSXQVXRUSA-N 369.461 3.976 0 40 FHAB CCn1cc(C(=O)N[C@H](C)c2ccccc2OC)c(=O)c2ccccc21 22234551 MQBBOGLSSAUXAW-CQSZACIVSA-N 350.418 3.521 0 40 FHAB CCn1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3c2c(C)nn3C)n1 36614307 DMFYYYYEEBLQEF-UHFFFAOYSA-N 374.448 3.721 0 40 FHAB CCc1ccc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1 107803459 ZQGNVYDPDKDVGN-MHWRWJLKSA-N 371.414 3.865 0 40 FHAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1c[nH]nc1-c1ccc(Cl)cc1 28936135 BRPNAFMDJHBWIG-UHFFFAOYSA-N 369.808 3.731 0 40 FHAB C[C@@H](Nc1cccc(Br)c1)C(=O)Nc1ccc2c(c1)OCO2 3327908 TXOHWQLADCRVNM-SNVBAGLBSA-N 363.211 3.617 0 40 FHAB CC[C@H](C)[C@H](C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1 60389227 BYPQWHKIVCXQEF-UGSOOPFHSA-N 350.418 3.681 0 40 FHAB Cc1noc(C2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)n1 48374361 WPPCHOWVKSUVQJ-UHFFFAOYSA-N 361.445 3.916 0 40 FHAB COc1ccc(OC)c(NC(=O)CN2CCC[C@@H]2c2ccc(F)cc2)c1 13010842 SKWKFTWYZNRFBT-GOSISDBHSA-N 358.413 3.619 0 40 FHAB O=C(O)c1ccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)cc1 3884720 SJGLSXQBPIJTSK-UHFFFAOYSA-N 359.375 3.500 0 40 FHAB Cc1ccc(CSc2nnc(N3CCOCC3)n2-c2ccccc2)cc1 9114595 ASSHKGRTQKLIIG-UHFFFAOYSA-N 366.490 3.705 0 40 FHAB CCc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCCC3)c(O)n2n1 22853009 JJMVGKCJYSCCEM-CQSZACIVSA-N 364.421 3.522 0 40 FHAB C[C@@H](Sc1nnc(-c2ccncc2)n1C)C(=O)c1ccc(F)c(F)c1 6138779 NYEJDETXCNPQBQ-SNVBAGLBSA-N 360.389 3.519 0 40 FHAB C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)n1c(=O)oc2ccccc21 14107959 MCUREHFQLMYYSY-VIFPVBQESA-N 357.366 3.543 0 40 FHAB Cc1ccnc(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)c1 9338269 WPOPMJIONIZPJC-UHFFFAOYSA-N 358.401 3.869 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCc2ccc(Cl)cc2)C1 14239517 JPQGBOIDTMDQBG-CQSZACIVSA-N 352.862 3.603 0 40 FHAB CSc1nnc(SCc2nc(COc3ccc(F)cc3)no2)s1 14241644 JUXKCASSTUPSBT-UHFFFAOYSA-N 370.456 3.653 0 40 FHAB COC(=O)N(C)c1ccc(N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1 66392502 BRNBMLMXIYXPNM-LSDHHAIUSA-N 367.449 3.667 0 40 FHAB COc1cc(CNC(=O)c2cccc3cccnc23)ccc1OC(F)F 6847217 BUZBHXHADVOTMD-UHFFFAOYSA-N 358.344 3.775 0 40 FHAB COc1cc(OC)c(OC)cc1CNC(=O)Cc1ccc2ccccc2c1 7275382 NCXPYRZMQQTXKY-UHFFFAOYSA-N 365.429 3.725 0 40 FHAB O=C(Nc1ccc2c(c1)OCCO2)c1cc(C2CC2)nn1-c1ccccc1 7399633 UQDPJNCGROKMAX-UHFFFAOYSA-N 361.401 3.773 0 40 FHAB CC(C)n1cnnc1SCC(=O)Nc1ccc(SC(F)F)cc1 7714333 QRRICDWNSDYNAZ-UHFFFAOYSA-N 358.439 3.905 0 40 FHAB Cc1c(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)sc2ccccc12 9577814 CNWFNMUEWIIETP-MPBGBICISA-N 370.474 3.893 0 40 FHAB CSc1ccc(NC(=O)/C=C/c2nnc3c4ccccc4cnn23)cc1 16176068 FXDJBBDUDBWUDI-ZHACJKMWSA-N 361.430 3.651 0 40 FHAB CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)C(C)(C)C)CC1 16574938 LWVFASWOJHOJPU-UHFFFAOYSA-N 365.905 3.629 0 40 FHAB Cc1cc(CNC(=O)N2CCC[C@H](N3CCCC3)C2)c2[nH]c(C)c(C)c2c1 71850154 DGKJKTBPFBOJKW-IBGZPJMESA-N 368.525 3.863 0 40 FHAB CCCCS[C@@H](C)C(=O)NCCOc1cccc(Br)c1 71819361 FPIBTUJAQLPTLP-LBPRGKRZSA-N 360.317 3.866 0 40 FHAB C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1ccc2nsnc2c1 95456889 OHFXICPRZIIFHX-FHSNZYRGSA-N 353.447 3.682 0 40 FHAB COc1ccc(C(=O)[C@@H](O)c2ccc(F)c(Br)c2)cc1C 95630772 QAWIMISQZZHHGL-INIZCTEOSA-N 353.187 3.822 0 40 FHAB CC(C)[C@H](NC(=O)c1cnc(-c2ccsc2)s1)c1nnc2n1CCC2 95958527 CKHIJPZKHJFTIG-AWEZNQCLSA-N 373.507 3.536 0 40 FHAB CC(C)c1ccc2cc(C(=O)N3Cc4ccccc4C[C@H]3C(=O)O)[nH]c2c1 95969904 DXYIUEOHUZDARB-FQEVSTJZSA-N 362.429 3.943 0 40 FHAB C[S@](=O)Cc1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1 25950455 BJPIUNGLBQFPHW-RUZDIDTESA-N 355.503 3.660 0 40 FHAB O=C(Cc1cccs1)Nc1nnc(-c2cccc(Br)c2)o1 36680957 SAEYCZGKUMHQRV-UHFFFAOYSA-N 364.224 3.742 0 40 FHAB COc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2nsnc2c1 36709777 VHOZBXIPIDFFHU-UHFFFAOYSA-N 353.325 3.971 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)COc1ccccc1C 219357947 AXALPCUXHXZOFU-VQIMIIECSA-N 357.450 3.745 0 40 FHAB COc1ccc(SCC(=O)N[C@@H](C)CCc2ccccc2)cc1OC 38772049 OTWVHVMVIYOHGE-HNNXBMFYSA-N 359.491 3.933 0 40 FHAB CN(Cc1ccc(Br)cc1)C(=O)N[C@@H]1CCC[C@]12CCCO2 1565264695 RVIZUXIMJFAZMP-WBVHZDCISA-N 367.287 3.692 0 40 FHAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NC2CC2)C12CCCCC2 71284418 MQZRFUGOSVBUSH-LJQANCHMSA-N 354.494 3.864 0 40 FHAB Cc1cc(C)c(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c(C)c1 216354318 ZOCSECQRNFHBRG-UHFFFAOYSA-N 366.870 3.889 0 40 FHAB COc1ccc(NC(=O)c2cc(C(C)C)nc3onc(C)c23)cc1OC 36358939 GNYKUNRDFYPNGF-UHFFFAOYSA-N 355.394 3.924 0 40 FHAB COC(=O)c1cccc(NC(=S)N[C@@H](C)COc2ccc(C)cc2)c1 225642153 KDKUPQPTQBUXNF-AWEZNQCLSA-N 358.463 3.536 0 40 FHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccccc1OC 224451986 HORABEKHAJJMFV-GOSISDBHSA-N 357.450 3.665 0 40 FHAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(N2CCCC2=O)cc1 224296153 TVXRWGRXCFHJAH-UHFFFAOYSA-N 364.445 3.710 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 224769816 JGJPTRMTESXGLH-LJQANCHMSA-N 366.505 3.789 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H]1CNCc1ccc(Br)cc1 83264777 SQEYYOTXYIGUHR-OAHLLOKOSA-N 369.303 3.938 0 40 FHAB Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C[C@@H]1CCCO1 223294146 JPDOXEMRVZTBDI-NUEKZKHPSA-N 359.520 3.603 0 40 FHAB CCOc1cccc(CNC(=S)Nc2cccc(C(=O)OC)c2C)c1 225439452 JWXPWBLPWTUDTF-UHFFFAOYSA-N 358.463 3.667 0 40 FHAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)Cc2cccc(Cl)c2)c1 225097864 KPMYMRBITGJALC-LBPRGKRZSA-N 369.870 3.538 0 40 FHAB NC(=O)COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1 225525606 IPWBRQGQHJTGPE-UHFFFAOYSA-N 372.852 3.655 0 40 FHAB COc1ccc(CC(=O)NCc2ccccc2CN2CCCCC2)cc1C 224851121 RQDITZONRRJVGN-UHFFFAOYSA-N 366.505 3.848 0 40 FHAB C[C@@H]1CCC[C@H](N(C)c2nnc(-c3ccccn3)n2Cc2ccco2)C1 585085301 IZHCDXQOGYGZKV-CVEARBPZSA-N 351.454 3.996 0 40 FHAB Cc1c[nH]c(-c2nccnc2[C@H]2CCCN(Cc3ccccc3F)C2)n1 257254354 KCRUKJSUGXUECT-INIZCTEOSA-N 351.429 3.694 0 40 FHAB O=C(c1ccc(F)cc1)N1CCCC[C@@H](Sc2ccc(O)cc2)C1=O 64037314 SSLIFACGPYDUJH-QGZVFWFLSA-N 359.422 3.845 0 40 FHAB COc1cc2c(cc1OC)[C@H](NC(=O)CCCCCn1cccc1)CC2 604419314 RELGVAORGDJSEU-GOSISDBHSA-N 356.466 3.869 0 40 FHAB C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)Nc1ccc2c(c1)C(=O)NCC2 680908955 VQDRZTPZXJHTRV-VLIAUNLRSA-N 363.461 3.808 0 40 FHAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1cc2nccnc2cc1F 684255082 HWNIMIITCBEBHW-LJQANCHMSA-N 352.413 3.865 0 40 FHAB COc1cccc([C@@]2(C)CCN(C(=O)Nc3cccc4c3CCNC4)C2)c1 659017627 JGKOUBRDCIJGIS-QFIPXVFZSA-N 365.477 3.536 0 40 FHAB COc1ccccc1[C@H](O)CNC(=O)Nc1cccc(C(F)(F)F)c1 40096041 UTCFGPLDMFCTFY-CQSZACIVSA-N 354.328 3.569 0 40 FHAB Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(N2CCC(O)CC2)cc1 61621087 QELNEZMYETZOFF-UHFFFAOYSA-N 373.522 3.962 0 40 FHAB O=c1c2ccccc2ncn1CC1CCN(Cc2ccc(F)c(F)c2)CC1 1775974136 LSJXSMASLNCMDG-UHFFFAOYSA-N 369.415 3.587 0 40 FHAB Oc1cc(-c2ccncc2)nc([C@H]2CCCN(C[C@H]3CC=CCC3)C2)n1 13268246 HFZXAAXJIWGISF-WMZOPIPTSA-N 350.466 3.780 0 40 FHAB CCN(c1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1)S(C)(=O)=O 13681779 VVOZRYSYYPFPNC-UHFFFAOYSA-N 360.479 3.650 0 40 FHAB CNC(=O)c1ccc(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc1 15610758 FKFDMGORKGCNIN-AWEZNQCLSA-N 362.429 3.950 0 40 FHAB CCCCc1cc(C[C@H]2CNCC[C@H]2CC(=O)Nc2ccccc2)no1 15673335 KLQWSYYTMDJNQT-IRXDYDNUSA-N 355.482 3.814 0 40 FHAB biogenic,in-vitro Cc1ccccc1NC(=S)NC1CCN(C(=O)c2ccccc2)CC1 16705113 KSMCKERYTAGNIX-UHFFFAOYSA-N 353.491 3.586 0 40 FHAB COc1cc(OC)c(OC)cc1CNC(=O)c1cc(Cl)cc(Cl)c1 18112955 JFODEVJXWIUOKQ-UHFFFAOYSA-N 370.232 3.949 0 40 FHAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](CC(C)C)[C@@H]3C2=O)cc1 18119506 ZUPSITHYXMCPQV-UFYCRDLUSA-N 364.445 3.720 0 40 FHAB O=C(c1ccnc(N2CCCCC2)c1)N1CCCC[C@H]1CCN1CCCC1 19403674 OTPYJYRXAKNLMG-FQEVSTJZSA-N 370.541 3.553 0 40 FHAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC(CCc2ccccc2F)CC1 19572103 AJHYWXDANYPBOP-UHFFFAOYSA-N 370.468 3.626 0 40 FHAB COc1ccc(-c2n[nH]cc2-c2cncn2C[C@H](C)N2CCCCC2)cc1 19719571 GYLHDVSDKXMJGL-INIZCTEOSA-N 365.481 3.823 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)/C=C/c2ccc(OC)c(OC)c2)c1 8355033 NMNZETUPGAQQRK-OIOXUXFSSA-N 371.433 3.612 0 40 FHAB COc1ccccc1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 3192565 NQECUDCFZLZUID-UHFFFAOYSA-N 362.433 3.932 0 40 FHAB COc1ccc2c(CC(=O)OCC(=O)Nc3ccc(C)c(F)c3)coc2c1 3419408 HHKBYSWROQIIRT-UHFFFAOYSA-N 371.364 3.613 0 40 FHAB COCc1c(C(=O)OCC(=O)N[C@@H](C)C(C)C)sc2cccc(F)c12 5563732 FCCVRMBLHDHMOB-NSHDSACASA-N 367.442 3.504 0 40 FHAB Clc1cnccc1OCC1CCN(c2nnc(C3CC3)s2)CC1 1889098486 YXMYJSILTGWKDR-UHFFFAOYSA-N 350.875 3.759 0 40 FHAB CNC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1CCCCC2 5055832 NZSJMDYTCGFQDF-UHFFFAOYSA-N 356.491 3.948 0 40 FHAB Cc1cccc(C)c1OC[C@@H](O)CN1CCN(c2cccc(Cl)c2)CC1 20347322 LNZGCQZQEBDVRK-FQEVSTJZSA-N 374.912 3.519 0 40 FHAB O=C(NCc1cccnc1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 30522673 WAZQTLBXSGJATI-OAQYLSRUSA-N 356.429 3.705 0 40 FHAB CC(C)c1ccc(CCC(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc1 40145305 LDXMKPJZZTVCOE-UHFFFAOYSA-N 360.479 3.753 0 40 FHAB COCc1cccc(C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)c1 40107670 FKYKEBOCYXUVOX-UHFFFAOYSA-N 352.434 3.630 0 40 FHAB C[C@@H](NC(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2)c1ccc(F)cc1 40151598 RVLDLYDJZMIHMC-RHSMWYFYSA-N 371.460 3.751 0 40 FHAB Cc1c(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)oc2c1C(=O)CCC2 40132857 WSQUMRUTHAGTDH-MRXNPFEDSA-N 369.417 3.917 0 40 FHAB COc1cc(C(=O)NC[C@@H]2CCCc3ccccc32)cc(OC)c1OC 30895402 YNOGCJKGDVHTHE-HNNXBMFYSA-N 355.434 3.562 0 40 FHAB O=C(CN1CCCCCCC1=O)Nc1ccc(Oc2ccncc2)cc1 50488030 GAYNCEZPOZUYAC-UHFFFAOYSA-N 353.422 3.605 0 40 FHAB Cc1cccc(N2CCN(CC[C@@H](C)NC(=O)Nc3ccccc3)CC2)c1 31098661 TWLDYNMTFACNIV-LJQANCHMSA-N 366.509 3.717 0 40 FHAB Cc1cccc(-c2nnc(S[C@H](C)C(N)=O)n2[C@@H]2CCCC[C@@H]2C)c1 102341641 GWDOEDRZENBCCR-SQWLQELKSA-N 358.511 3.971 0 40 FHAB CC[C@@H](CNC(=O)[C@]12CCC(=O)N1c1ccccc1S2)c1ccccc1 32845072 LSWQGGJOWSXQCI-YCRPNKLZSA-N 366.486 3.925 0 40 FHAB COc1ccc2[nH]cc(C3=CCN(C(=O)c4cccnc4S)CC3)c2c1 47283184 FPWJHXKKPIUBTN-UHFFFAOYSA-N 365.458 3.790 0 40 FHAB C[S@@](=O)CCNC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 78764181 YXUNUEDFYPSUGI-NRFANRHFSA-N 362.303 3.830 0 40 FHAB CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)c1 4602312 OUQHEPKQHSYUBB-UHFFFAOYSA-N 371.393 3.809 0 40 FHAB C[C@H](NC(=O)NCc1ccnc(N(C)C)c1)c1cccc(C(F)(F)F)c1 47612219 UKMPOVBERXELFW-LBPRGKRZSA-N 366.387 3.727 0 40 FHAB O=C(Cc1ccccc1)Nc1ccccc1C(=O)Nc1ccc(C(=O)O)cc1 1072544 TZSRMZWHHLOMEY-UHFFFAOYSA-N 374.396 3.818 0 40 FHAB CCCCCOC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 101145776 UXYUROSYYKWISY-LBTBCDHLSA-N 355.434 3.569 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)cc1 12576812 DEUAOYKCBQEOOZ-BEFAXECRSA-N 367.424 3.541 0 40 FHAB Cc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1Cl 10314677 QOTFANWTCUCFRY-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC(C)C)cc2C)cc1 10361102 RHFJVIUWUPGEFA-UHFFFAOYSA-N 374.506 3.880 0 40 FHAB COc1cc(C(=O)NCCCn2cnc3ccccc32)cc(Cl)c1OC 12554578 JJHNBHDAYPBDJV-UHFFFAOYSA-N 373.840 3.527 0 40 FHAB COc1cc(CNCc2nc(-c3cccs3)n[nH]2)ccc1OC(C)C 72289942 ASRJEGBAJDWBJP-UHFFFAOYSA-N 358.467 3.619 0 40 FHAB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)C1=NO[C@H](c2ccccc2)C1 55288528 TWSCHMXAQAEKIC-APWZRJJASA-N 366.465 3.649 0 40 FHAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCC(=O)N1Cc1cccs1 1389841 MTXQFJKWKJJDOB-CQSZACIVSA-N 368.380 3.897 0 40 FHAB CN(C)c1ccc(CCCNC(=O)C2(c3ccccc3)CCOCC2)cc1 25140683 ONVPPBXVLLTDGO-UHFFFAOYSA-N 366.505 3.550 0 40 FHAB CC(=O)c1ccccc1NC(=O)COC(=O)/C=C/c1ccc(Cl)cc1 3290459 YTAGCEIDWRNYRL-DHZHZOJOSA-N 357.793 3.738 0 40 FHAB O=C1S/C(=C\c2ccc(O)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 1416469 VYNOKKJMMFZKFJ-DHDCSXOGSA-N 356.359 3.537 0 40 FHAB COc1ccc(/C=C/C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@H]32)cc1 107465209 BDEKRAAFNLQIJJ-SJNOUNNOSA-N 362.473 3.851 0 40 FHAB Cc1cccc(N2CCN(CC(=O)Nc3c(C)cc(C)cc3C)CC2)c1 27381841 LJJCMGXOCLZVSA-UHFFFAOYSA-N 351.494 3.681 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)c3ccc(O)cc3O)o2)cc1C 10032112 BRUBDSGELIKQMK-UHFFFAOYSA-N 356.403 3.740 0 40 FHAB COc1ccc(N[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 101277062 YUXSISZQUMEVJI-CYBMUJFWSA-N 365.216 3.746 0 40 FHAB Cc1ccnc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 27647275 XNECZUSNHGZIHE-HNNXBMFYSA-N 357.841 3.534 0 40 FHAB O=C(NCCc1ccccc1)c1cn(-c2ccccc2)nc1-c1cccnc1 10219600 IKFXDBXYEBMNHY-UHFFFAOYSA-N 368.440 3.907 0 40 FHAB CCCS(=O)(=O)Nc1cccc(NC(=O)/C=C/c2ccc(C)o2)c1C 58228412 LSQFAOFGDCQFGK-ZHACJKMWSA-N 362.451 3.700 0 40 FHAB Cc1ccc(-n2c(N)c(C(=O)NCC(C)C)c3nc4ccccc4nc32)cc1 2291470 QVCCMKHLYVJPPB-UHFFFAOYSA-N 373.460 3.850 0 40 FHAB Cc1ccc(-c2noc(CCC(=O)Nc3ccc(-n4ccnc4)cc3)n2)cc1 23890124 HVLWWPQLCFMJHI-UHFFFAOYSA-N 373.416 3.802 0 40 FHAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cnn(C)c3C)c12 36613975 HPEHIZNNGXYEHA-UHFFFAOYSA-N 365.368 3.632 0 40 FHAB Cn1c(SC[C@H]2CCCO2)nc2scc(-c3cccs3)c2c1=O 11598664 VNOOMXITWMQDIX-SNVBAGLBSA-N 364.517 3.995 0 40 FHAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc3c(c2)Cc2ccccc2-3)on1 46277322 LGQIJVXCUWMQSX-ZDUSSCGKSA-N 362.385 3.738 0 40 FHAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)/C=C/C(C)(C)C 72275267 UIXXTXQMZXCHTR-CMDGGOBGSA-N 367.287 3.757 0 40 FHAB Cc1occc1-c1nnc(S[C@H](C)C(=O)N(C)c2ccccc2)n1C 2654002 JHNBDKTUIWITPX-CYBMUJFWSA-N 356.451 3.527 0 40 FHAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccc(C(N)=O)cc1 22245363 VPFPLLPYMPEPEB-UHFFFAOYSA-N 366.446 3.571 0 40 FHAB O=S(=O)(c1ccc2ccccc2c1)N1CCO[C@@H](c2ccc(F)cc2)C1 12981326 SAGJPZWDEYJQQX-HXUWFJFHSA-N 371.433 3.741 0 40 FHAB O=C(CN1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccccc1Cl 12902351 ZCCKPAIOOZBUMB-UHFFFAOYSA-N 371.868 3.629 0 40 FHAB COCCCN(C)C(=O)c1[nH]c2ccc(Br)cc2c1Cl 49314674 BABPMSLEBPMHPF-UHFFFAOYSA-N 359.651 3.692 0 40 FHAB COc1cc(NC(=O)COc2ccccc2)ccc1NC(=O)c1ccco1 4018846 IPBDZWWZCSVMAR-UHFFFAOYSA-N 366.373 3.558 0 40 FHAB O=C(OCc1c(Cl)nc(Cl)n1-c1ccccc1)C1CCOCC1 64686187 SWLCHOUXLWFJKF-UHFFFAOYSA-N 355.221 3.649 0 40 FHAB Cc1ccc(C(=O)Oc2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)cc1 13856206 ALKNAHSYPGVNQT-RTBURBONSA-N 361.397 3.670 0 40 FHAB Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccnc2)n1 5322550 CADJBKLRNCENQB-LJQANCHMSA-N 369.380 3.641 0 40 FHAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc(F)cc(N2CCCC2)c1 65626721 YTQQRHWMQPSWEE-YJYMSZOUSA-N 356.397 3.593 0 40 FHAB CCCn1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc2c1=O 6560563 VILGIEWXNXBICK-UHFFFAOYSA-N 365.477 3.505 0 40 FHAB C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1)c1nc2ccccc2c(=O)[nH]1 5666463 UFYCMFBHIHDZCB-SNVBAGLBSA-N 362.307 3.860 0 40 FHAB O=c1c2ccccc2n2c(-c3ccccc3)nnc2n1CCc1ccccc1 6781242 YJCCWUBSKICQOV-UHFFFAOYSA-N 366.424 3.954 0 40 FHAB CC1(C)C[C@](CCNCCCN2CCOCC2)(Cc2ccccc2)CCO1 6759587 OMMMTYVSSFZZFI-QHCPKHFHSA-N 374.569 3.507 0 40 FHAB O=C1C[C@@H](c2ccc(C(=O)O)cc2)c2c(-c3ccc(Cl)cc3)n[nH]c2N1 9421588 HKJDDJUPHPJONH-AWEZNQCLSA-N 367.792 3.902 0 40 FHAB CC[C@@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccc(Br)cc1 9477013 DAUPVQAHILKCDT-CYBMUJFWSA-N 359.227 3.602 0 40 FHAB O=C(COc1ncnc2sccc12)Nc1ccc(OC(F)(F)F)cc1 6974969 MTWBACPGRYZYQK-UHFFFAOYSA-N 369.324 3.607 0 40 FHAB CC(C)N(C(=O)Cn1nc(-c2cccs2)c2ccccc2c1=O)C(C)C 7023995 DPUNSGKLAPDCBQ-UHFFFAOYSA-N 369.490 3.770 0 40 FHAB CCc1cc2c(C)cc(=O)oc2cc1OC(=O)Cc1ccc(OC)cc1 7063863 LGRLZNIAXKQWGD-UHFFFAOYSA-N 352.386 3.821 0 40 FHAB COc1ccc(-c2nn(CN(C)Cc3ccc(F)cc3)c(=S)n2C)cc1 7141660 XBTGNVGATUQDID-UHFFFAOYSA-N 372.469 3.855 0 40 FHAB COc1ccc(-c2noc(COc3cccc(C(C)=O)c3)n2)c(OC)c1 9501163 MMGYLSRDFXFFTR-UHFFFAOYSA-N 354.362 3.535 0 40 FHAB C[C@H]1CCCCN1C(=O)CSc1nnc(Nc2cccc(F)c2)s1 7577103 ZCYWSUSTEHIAHZ-NSHDSACASA-N 366.487 3.914 0 40 FHAB O=C(N[C@H]1CCSc2ccccc21)c1ccc(N2CCCC2=O)cc1 7780369 DERLITGLRHQPPA-KRWDZBQOSA-N 352.459 3.780 0 40 FHAB O=C([C@H](Sc1nnnn1C1CCCC1)c1ccccc1)N1CCCCC1 8073372 BXDACZAPOKQLIF-QGZVFWFLSA-N 371.510 3.634 0 40 FHAB O=C(COc1ccc(-c2nnco2)cc1)N1CCC[C@@H]1c1cccs1 8075079 UEKODIKYMCVGGA-OAHLLOKOSA-N 355.419 3.541 0 40 FHAB NC(=O)c1ccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1 8060790 BZMXYNZGZKMSAW-UHFFFAOYSA-N 357.369 3.846 0 40 FHAB CCCOc1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl 19943375 PSLQFNMMJPEPGX-UHFFFAOYSA-N 365.882 3.876 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc2sccc2c(=O)[nH]1 8457241 PDBSMVQLOZFSKJ-LLVKDONJSA-N 359.476 3.721 0 40 FHAB Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc3c(c(=O)[nH]2)CCCC3)c(C)c1 9764265 AYDUINYPWNIQKL-CQSZACIVSA-N 371.506 3.693 0 40 FHAB CCCN(CCC)Cc1c(C)nc2ccc(N3CCOCC3)cc2c1O 8717437 HNWDNKLZDXGTTR-UHFFFAOYSA-N 357.498 3.707 0 40 FHAB Cc1ccc(-c2cnc(CCC(=O)Nc3ccc4c(c3)OCO4)o2)cc1 8772623 DXROXRJRWKYBIA-UHFFFAOYSA-N 350.374 3.950 0 40 FHAB Cc1ccc(N2CC[C@H](C(=O)NCc3cc4ccccc4o3)C2=O)cc1C 84180602 QKSUBSOVDGCFJR-LJQANCHMSA-N 362.429 3.719 0 40 FHAB Cc1cccnc1NC(=O)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 23142603 XKNNWFRRFOSLDB-SFHVURJKSA-N 373.460 3.702 0 40 FHAB O=C(C[C@H](c1ccsc1)n1cccc1)N1CC[C@@]2(O)CCCC[C@H]2C1 524732822 QHWXDGZRYGJATN-NSHGMRRFSA-N 358.507 3.683 0 40 FHAB C[C@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)c1ccc2c(c1)CC(C)(C)O2 1544406344 OHEZBEUECKTYTQ-GASCZTMLSA-N 372.509 3.508 0 40 FHAB COc1ccc(-c2csc(CCNC(=O)NC3CCCCC3)n2)cc1 31848854 XNZVTZQXTSRXKJ-UHFFFAOYSA-N 359.495 3.993 0 40 FHAB COc1ccc(-c2c(C)nn3c(N)c(-c4nc5ccccc5[nH]4)cnc23)cc1 30874193 SUFIBVJGUSVMLU-UHFFFAOYSA-N 370.416 3.839 0 40 FHAB C[C@H](CC(=O)Nc1cccc(-c2nc(O)n[nH]2)c1)c1c[nH]c2ccccc12 552629902 RKNNVOFWBOEJOY-GFCCVEGCSA-N 361.405 3.791 0 40 FHAB COc1ccc(CCCNC(=O)[C@@H](C)Sc2ccccc2)cc1OC 122308573 TXPYZZAIZUEVDX-OAHLLOKOSA-N 359.491 3.933 0 40 FHAB C[C@@H](CCc1ccco1)NCc1cc(-c2ccc(F)cc2)cn2nnnc12 72392369 PHILHLAQKAMLND-AWEZNQCLSA-N 365.412 3.634 0 40 FHAB Cc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)Cc3ccccn3)C2)c1 72358851 VHTPOJQTBKFEDG-LJQANCHMSA-N 372.472 3.796 0 40 FHAB Cc1cc(O)nc(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)n1 33739830 QLWMUDIPXYWXDF-UHFFFAOYSA-N 372.475 3.653 0 40 FHAB COC(=O)c1ccc(-c2csc(NC(=O)NCc3cccs3)n2)cc1 38550464 NHFWCZNYIFALNI-UHFFFAOYSA-N 373.459 3.980 0 40 FHAB N[C@@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1Cl 72227303 AULXWCWDQOFAMG-KBPBESRZSA-N 351.631 3.518 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 224849603 UWUOMURYBNVYKQ-QGZVFWFLSA-N 370.468 3.702 0 40 FHAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CC 223315581 GZYKTOOBXXTOAG-IBGZPJMESA-N 372.896 3.826 0 40 FHAB COc1ccc(OCCNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 225156856 UBECNGWJNZWZIS-INIZCTEOSA-N 369.461 3.537 0 40 FHAB Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1N(C)S(C)(=O)=O 222446703 KRYUNYWIYNQYLR-UHFFFAOYSA-N 360.479 3.767 0 40 FHAB COc1ccc(C(=O)N2CCc3ccc(NC(=O)c4ccco4)cc32)cc1 222949606 BVVWROZROVDMPI-UHFFFAOYSA-N 362.385 3.743 0 40 FHAB COc1cccc(NC(=O)CCc2ncc(-c3cccc(OC)c3)o2)c1 224846811 VHMQQCALQWWETB-UHFFFAOYSA-N 352.390 3.930 0 40 FHAB COC(=O)c1ccc(OC)c(NC(=O)COc2cc(C)ccc2C(C)C)c1 222659672 FUXGMSGTDCMMPV-UHFFFAOYSA-N 371.433 3.931 0 40 FHAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 43772807 XZTUSOXSLKTKJQ-FLWKJDGESA-N 374.521 3.604 0 40 FHAB COc1ccc(CNC(=S)Nc2ccc(N3CCC(C)CC3)nc2)cc1 223926642 VBHRCTZZYKSEKB-UHFFFAOYSA-N 370.522 3.813 0 40 FHAB O=C1OC[C@@H]2CCN(Cc3ccc(F)c(F)c3)Cc3ccc(F)cc3N12 225486520 JEOLLODCPOZZOI-HNNXBMFYSA-N 362.351 3.835 0 40 FHAB biogenic,in-vitro CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 224653753 WHHXNIBOANGVSB-LJQANCHMSA-N 366.505 3.871 0 40 FHAB CCCO[C@@](C)(C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1)C1CC1 225857610 ZYGLUBLPZHRWIR-HXUWFJFHSA-N 363.454 3.794 0 40 FHAB Fc1ccc(Nc2ncc(Br)c(-n3cccn3)n2)cc1Cl 144163264 YBHHLGYGNNGAMZ-UHFFFAOYSA-N 368.597 3.961 0 40 FHAB COc1ccc(C(=O)CNC(=O)c2sc(C)nc2-c2ccccc2)cc1 96343793 OEEOGTNCAYFQMB-UHFFFAOYSA-N 366.442 3.740 0 40 FHAB Cc1cccc(N2CCC(N(CCCc3ccccc3)CC(=O)O)CC2)c1 257320050 VVCYURIFTZBRKC-UHFFFAOYSA-N 366.505 3.983 0 40 FHAB Cn1cncc1[C@@H]1C[C@H]1C(=O)NCC1(Cc2ccccc2)CCCCC1 597522383 SFLLSGMUAWAUFK-RTBURBONSA-N 351.494 3.833 0 40 FHAB Cc1cnc([C@@H](C)N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)o1 679432278 CWLUOQPLSRUTNV-ZBFHGGJFSA-N 371.485 3.775 0 40 FHAB CC1(C)Cc2c(cnn2-c2ccc(F)cc2)CN(c2cnc(F)cn2)C1 1775960327 FXULOMXUSLRISJ-UHFFFAOYSA-N 355.392 3.529 0 40 FHAB CO[C@@H]1CCC[C@H]1Cn1c(C(C)C)nnc1N1C[C@H](C)S[C@H](C)C1 1555135580 GHCSXIGPCMURMC-XUWVNRHRSA-N 352.548 3.547 0 40 FHAB Cc1cc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)[nH]n1 47555636 PPJCZJWLNWVKJC-UHFFFAOYSA-N 368.462 3.536 0 40 FHAB O=C(Nc1ccc(F)cc1-c1nc2ccccc2s1)N1CC[C@@H](O)C1 88381667 BYPYPSAMLSKIMR-GFCCVEGCSA-N 357.410 3.701 0 40 FHAB Cc1cccc(NC(=O)CSc2nc(Cc3ccccc3)n[nH]2)c1C 5520243 NDNRCJCCJMAWAR-UHFFFAOYSA-N 352.463 3.743 0 40 FHAB CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c(C)c1 13613433 CVPIQCURXRCVLJ-UHFFFAOYSA-N 367.854 3.767 0 40 FHAB CCCCn1nc(C)c2c(C(=O)NCCc3ccccc3)cc(C)nc21 17072751 BLFMWZMMYPKZAV-UHFFFAOYSA-N 350.466 3.821 0 40 FHAB Cc1ccc([C@@H](C)C(=O)Nc2nc3c(s2)CCc2c-3cnn2C)cc1 19136390 XUJSHXNDGXVYQS-GFCCVEGCSA-N 352.463 3.693 0 40 FHAB O=C(CCC1CCCC1)N1CCC(c2nnc(-c3ccccn3)o2)CC1 19403435 FTKQVNJJRFORGI-UHFFFAOYSA-N 354.454 3.808 0 40 FHAB CCOc1ccc2oc(C)c(C(=O)NCCn3nc(C)c(C)c3C)c2c1 19519898 ODZHEFGAYWZFDH-UHFFFAOYSA-N 355.438 3.692 0 40 FHAB CCc1nn(C)c(C(=O)N[C@@H](Cc2ccsc2)c2nc(C)cs2)c1C 19521051 XVIMQIAVJLSMTI-HNNXBMFYSA-N 374.535 3.831 0 40 FHAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cnc(-c2ccccc2)[nH]c1=O 19937236 GIGNDGMSVWYBAA-UHFFFAOYSA-N 360.200 3.996 0 40 FHAB CC(C)C(=O)N1CCCCCCCN(C(=O)CCCN)Cc2ccccc21 643553439 VLCBZGVTRFYSTE-UHFFFAOYSA-N 373.541 3.707 0 40 FHAB C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1ccon1 585113630 BHAPCBLSNLEDJN-INIZCTEOSA-N 354.328 3.811 0 40 FHAB Cc1ccsc1CN1CCC(Oc2ncc(Br)cn2)CC1 1204021099 GLNWVCMSJPNZKG-UHFFFAOYSA-N 368.300 3.652 0 40 FHAB CCc1cccc(C)c1N(C(=O)Cn1cnc2ccccc21)[C@H](C)COC 937524 BYEDTISUAXWONZ-QGZVFWFLSA-N 365.477 3.975 0 40 FHAB Cc1ccccc1-n1ncc2c(=O)n(Cc3ccc(Cl)cc3)cnc21 4479083 QRWMLFMTEDGZOZ-UHFFFAOYSA-N 350.809 3.592 0 40 FHAB COc1ccc(-n2nnc(-c3nc(-c4ccccc4)no3)c2C)cc1Cl 7006551 MPNCRZLNKOEKFU-UHFFFAOYSA-N 367.796 3.955 0 40 FHAB CC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccs3)=NN12 10214272 MMDWCQXMQORQTL-QGZVFWFLSA-N 367.474 3.630 0 40 FHAB NC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1 12442834 NGPRHRFDEQNCEW-UHFFFAOYSA-N 369.471 3.640 0 40 FHAB O=C(c1ccc(F)cc1F)N1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1775973355 GSJQPPVJJLPREK-STQMWFEESA-N 351.784 3.823 0 40 FHAB CCn1/c(=N/C(=O)c2ccc(OC)cc2)sc2c(C)ccc(OC)c21 100908687 HYAMLUBNGBMWOX-VXPUYCOJSA-N 356.447 3.789 0 40 FHAB COc1ccc(Br)c(C(=O)NCc2cncc(C3CC3)c2)c1 575606018 HZQXQDOXOMLPDB-UHFFFAOYSA-N 361.239 3.660 0 40 FHAB COc1ccc(OC(F)F)c(NC(=O)NCCc2ccc(F)cc2)c1 40120581 ANHHLQKMURPXPA-UHFFFAOYSA-N 354.328 3.800 0 40 FHAB Cc1cccc(NC(=O)c2cc(=O)c(OCc3ccc(Cl)cc3)co2)n1 40286592 TXRLMMNVSRLQGE-UHFFFAOYSA-N 370.792 3.828 0 40 FHAB Cc1ccc(OCCNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)cc1 31241672 IXADZEAZEUULQW-UHFFFAOYSA-N 355.825 3.847 0 40 FHAB O=C(c1ccco1)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 31938124 YIPVPQKGZZCSGC-UHFFFAOYSA-N 352.459 3.966 0 40 FHAB CN1CCc2c(sc3ncn4nc(-c5ccccc5Cl)nc4c23)C1 20548954 BFTKEBYLKKKCNF-UHFFFAOYSA-N 355.854 3.647 0 40 FHAB Cc1onc(-c2ccc(F)cc2)c1C(=O)NC[C@@H]1Cc2ccccc2O1 32005654 VAVGWMCZJWEVAA-INIZCTEOSA-N 352.365 3.523 0 40 FHAB CCc1ccc(OC(=O)c2ccc(S(=O)(=O)c3ccccc3)o2)cc1 32593690 NUZKHWTZEIBLQE-UHFFFAOYSA-N 356.399 3.894 0 40 FHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1C 32863654 ZRDDFJCVHHHWOR-UHFFFAOYSA-N 370.468 3.540 0 40 FHAB Cc1cc(C(=O)NCCSCc2ccccc2F)c2c(C)noc2n1 32870501 IBECDJDKNIIFKC-UHFFFAOYSA-N 359.426 3.642 0 40 FHAB CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(F)c(F)c1F 33147236 CFKUIYYLWUJREP-UHFFFAOYSA-N 357.353 3.540 0 40 FHAB Cc1nc(-n2cccc2)sc1C(=O)NCCc1c[nH]c2ccccc12 12389843 XZTXIIGQSCEPRT-UHFFFAOYSA-N 350.447 3.696 0 40 FHAB CCC(=O)N1CCN(c2nc(C3CC3)nc3sc4c(c23)CCCC4)CC1 1377043 PJXWUOCBKIOGLB-UHFFFAOYSA-N 370.522 3.506 0 40 FHAB COc1ccc2c(CC(=O)OCc3nc(-c4ccccc4)no3)coc2c1 23495914 OXJUYCAJXKHCGN-UHFFFAOYSA-N 364.357 3.777 0 40 FHAB COc1cc(NC[C@@](C)(O)CN2CC[C@@H](C)C[C@H]2C)c2ncccc2c1 4522428 ASNCKFJWFVCYMZ-WHSLLNHNSA-N 357.498 3.527 0 40 FHAB CN1c2ccccc2C(=O)N[C@H]1c1ccc(OC(F)F)cc1OC(F)F 24098458 JAGNEJBRMTXVDW-CQSZACIVSA-N 370.302 3.768 0 40 FHAB CCOc1ccc(OCCCC(=O)NCCc2ccc(OC)cc2)cc1 6375589 PKRKEGBTCTVFLR-UHFFFAOYSA-N 357.450 3.612 0 40 FHAB CCCCN1C(=O)S[C@H](Cc2ccc(OCC)cc2OCC)C1=O 6647752 ZQUUGOYPTNJYIS-MRXNPFEDSA-N 351.468 3.891 0 40 FHAB CCCCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 6706705 WMYLFEMRUUHKRT-UHFFFAOYSA-N 360.479 3.716 0 40 FHAB O=C(Cc1ccc2c(c1)OCCO2)Nc1nc(-c2cccs2)cs1 6837659 GYKNCXUYLJPKIG-UHFFFAOYSA-N 358.444 3.824 0 40 FHAB CC(=O)N1CCCN(C(=O)c2ccc(SCc3ccccc3)cc2)CC1 55094144 GQNYLRFFZHPVOM-UHFFFAOYSA-N 368.502 3.673 0 40 FHAB O=C(O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 8470091 CCMGDXQYHGNCFG-UHFFFAOYSA-N 360.369 3.889 0 40 FHAB C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1c(F)cccc1F 12553032 DYTBEUIBWLWAES-LBPRGKRZSA-N 359.376 3.531 0 40 FHAB COc1ccc(-c2noc(CCC(=O)N3c4ccccc4C[C@@H]3C)n2)cc1 54563041 ULXQCLAMEAYQIN-AWEZNQCLSA-N 363.417 3.656 0 40 FHAB CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3c(C)cccc3C)ccc21 12596861 CREFWFUTRRBFKY-OAHLLOKOSA-N 351.450 3.652 0 40 FHAB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(N2CCOCC2)o1 12563194 RSYWMQNOLLYQFK-ATVHPVEESA-N 371.824 3.576 0 40 FHAB CC(C)(C)C(=O)NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1 9064117 AJFVJCVBBHYFMZ-UHFFFAOYSA-N 354.435 3.749 0 40 FHAB CC1CCN(C(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)CC1 57486618 OIUOMZHCJIVCMO-UHFFFAOYSA-N 368.412 3.603 0 40 FHAB CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(Cl)cc1N 3230064 GYXSFUICNISDFT-UHFFFAOYSA-N 360.841 3.843 0 40 FHAB CN(C)C(=O)Sc1ccccc1NS(=O)(=O)c1cc(F)cc(F)c1 57785247 BKFXOSRNNPPYEO-UHFFFAOYSA-N 372.418 3.539 0 40 FHAB Cc1cc(-n2c(C)cc(-c3csc(Nc4cnn(C)c4)n3)c2C)no1 58244501 CXKHGZGDXBTQSM-UHFFFAOYSA-N 354.439 3.991 0 40 FHAB O=C(COC(=O)c1ccc2ccccc2c1)NCc1ccc(Cl)cc1 3389405 ZWOCKIIQSJGONJ-UHFFFAOYSA-N 353.805 3.966 0 40 FHAB CCCNC(=O)COc1ccc2c(=O)c(Oc3ccccc3F)coc2c1 3358774 ABYSCEMLRWMYLS-UHFFFAOYSA-N 371.364 3.629 0 40 FHAB CCCc1nc2oc3c(NCCN(C)C)ncnc3c2c2c1CCCC2 2352940 RDKZWGSDKLXNQE-UHFFFAOYSA-N 353.470 3.576 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 28883292 NZFDNIGELOGTTA-UHFFFAOYSA-N 361.445 3.976 0 40 FHAB NC(=O)NC(=O)[C@@H](Sc1cccc(C(F)(F)F)c1)c1ccccc1 11436295 PPMJQOUCANCSJL-ZDUSSCGKSA-N 354.353 3.734 0 40 FHAB COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc2ccccc2c1 11615682 WTSCOSNJLZWOPT-UHFFFAOYSA-N 370.430 3.608 0 40 FHAB CN(CC(=O)Nc1cc2c(cc1Cl)OCO2)[C@H]1CCc2ccccc21 29489197 IYYSEPOFTTZSJG-INIZCTEOSA-N 358.825 3.627 0 40 FHAB CCOC(=O)CCCCCC(=O)c1ccccc1I 2580292 NFXIKWKINJZTCJ-UHFFFAOYSA-N 374.218 3.988 0 40 FHAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 29797586 HQRKSMKCFCDICB-GOSISDBHSA-N 363.417 3.702 0 40 FHAB CCn1c(SCc2cc(C(C)=O)ccc2OC)nnc1-c1cccnc1 2656970 ZJISDQZOSPBTOA-UHFFFAOYSA-N 368.462 3.864 0 40 FHAB COc1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(OC)c1 2653663 COIWYBDZRCDBCF-UHFFFAOYSA-N 362.234 3.811 0 40 FHAB Cc1cc(Br)ccc1NC(=O)C(=O)NCCC1CCCCC1 408709439 SYOJSWCGLKPUGA-UHFFFAOYSA-N 367.287 3.783 0 40 FHAB COc1ccc(OC)c(CC(=O)Nc2cc(OC)c(Cl)cc2OC)c1 20447921 RMSGNJFOOSABPL-UHFFFAOYSA-N 365.813 3.556 0 40 FHAB OCCNc1nc(SCc2ccccc2)nc2sc3c(c12)CCC3 5072251 CHWFCWQTPSBDTQ-UHFFFAOYSA-N 357.504 3.877 0 40 FHAB O=C(C1CCOCC1)N1CCCCC[C@@H]1c1noc(-c2ccc(F)cc2)n1 96001372 QRCIPPAFRDDBSL-QGZVFWFLSA-N 373.428 3.746 0 40 FHAB Cn1nnnc1NCc1c(OCc2ccccc2F)ccc2ccccc12 22109692 YNAUYRLRPOSMAA-UHFFFAOYSA-N 363.396 3.694 0 40 FHAB C[C@@H]1Oc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2NC1=O 14013588 WEODBSSXECKHIL-VIFPVBQESA-N 350.296 3.677 0 40 FHAB O=C(NC[C@H]1CCN(c2ccccc2)C1)c1cccc(CN2CCCC2)c1 65553526 YXBLTSUIPZWZIG-HXUWFJFHSA-N 363.505 3.539 0 40 FHAB Cc1ccc(-c2nnc(S)n2CC(=O)N2c3ccccc3C[C@H]2C)cc1 65537072 ZMEUMEHCKFDDHH-CQSZACIVSA-N 364.474 3.520 0 40 FHAB CSc1nnc(SCC(=O)Nc2nc3ccc(C)cc3s2)s1 14198922 QKRGXABFMSOPFZ-UHFFFAOYSA-N 368.534 3.909 0 40 FHAB O=c1[nH]nc(SCc2cc(-c3cccs3)on2)n1Cc1ccccc1 14118043 NKDCIIFDFGQHSM-UHFFFAOYSA-N 370.459 3.629 0 40 FHAB FC(F)(F)c1cc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)[nH]n1 6413845 CJKDNWKJRYOUIW-UHFFFAOYSA-N 364.356 3.627 0 40 FHAB CC[C@@H](C)[C@@H]1CCCCN1c1ncnc2c1c(Br)nn2C 95460510 IRDALKRAZCSZAF-MNOVXSKESA-N 352.280 3.531 0 40 FHAB COc1ccc([C@@H]2CC(=O)c3cnc(NCCc4ccco4)nc3C2)cc1 4777127 LOSVTROPSGLBFS-HNNXBMFYSA-N 363.417 3.646 0 40 FHAB COC(=O)c1cccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1 6820267 SYJYUROYYMXELE-UHFFFAOYSA-N 360.218 3.581 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4976838 WAICTUHVRDQKRN-HIFRSBDPSA-N 354.837 3.671 0 40 FHAB O=C(c1ccncc1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 9446264 UNXNPCHJZRSDHV-UHFFFAOYSA-N 354.797 3.590 0 40 FHAB C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1ccccc1 7161878 UOIDHUNMTZTBCZ-NSHDSACASA-N 360.464 3.863 0 40 FHAB COc1ccccc1OCC(=O)NCc1csc(-c2ccc(C)cc2)n1 15832491 VAFFVUSPRYNXHU-UHFFFAOYSA-N 368.458 3.822 0 40 FHAB COc1ccc(CNC(=O)[C@H](C)N(C)Cc2ccc(Cl)s2)cc1 7677649 LXGICHRRPKZYFJ-LBPRGKRZSA-N 352.887 3.547 0 40 FHAB CC[C@H](C(=O)OCc1ccccc1)n1nnc(-c2ccc(Cl)cc2)n1 16288511 JMWJANZEEVUXHP-MRXNPFEDSA-N 356.813 3.688 0 40 FHAB COC(=O)[C@H](CC(C)C)NC(=O)Cc1coc2ccc3ccccc3c12 7984528 JIVDUAWFCGWUFX-KRWDZBQOSA-N 353.418 3.832 0 40 FHAB COc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(N)=O)cc1 16954030 IZIPEGZJVXLNJW-JZJYNLBNSA-N 373.206 3.535 0 40 FHAB CCNc1nc(S[C@H](C(=O)N(C)C)c2ccccc2)nc2ccccc12 8393059 FUDAVEIQJZJARW-KRWDZBQOSA-N 366.490 3.983 0 40 FHAB O=C(N=c1[nH]c2ccccc2[nH]1)c1cc(-c2cccnc2)nc2ccccc12 8425296 RTSCGHWOOIHFBO-UHFFFAOYSA-N 365.396 3.847 0 40 FHAB COC(=O)/C(=C\Nc1ccccc1)S(=O)(=O)c1ccc(C(C)C)cc1 67340531 DKUSCCITYTZKCF-QGOAFFKASA-N 359.447 3.710 0 40 FHAB COC(=O)c1cc2ccccc2cc1NCC(=O)N1CCc2ccccc2C1 83895690 MXFPBDIPGFAPPB-UHFFFAOYSA-N 374.440 3.623 0 40 FHAB CCOc1ccc(C(=O)NCCc2nc3ccccc3n2C(C)C)cc1 72288859 RXJIPWXJVWNQES-UHFFFAOYSA-N 351.450 3.988 0 40 FHAB CSc1cnn(-c2ccccc2)c1NC(=O)c1cccc(N(C)C)c1 95965060 DVATYZXFLNZAMT-UHFFFAOYSA-N 352.463 3.913 0 40 FHAB CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H]3CCCCC34OCCO4)o2)cc1 89331194 VKICDYKPISWWQT-LJQANCHMSA-N 369.417 3.565 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)c(C)c1 408564519 ZBJYKVPPFUQAAM-UHFFFAOYSA-N 373.478 3.732 0 40 FHAB CCOC(=O)c1cc(NC(=O)COc2ccc(OC)cc2)ccc1Cl 22532656 UXMBMVCKOWDWJQ-UHFFFAOYSA-N 363.797 3.543 0 40 FHAB O=C(NCCCc1ccccc1)NCCNc1ncc(Cl)cc1Cl 503436797 PEXHCXODLAKBFR-UHFFFAOYSA-N 367.280 3.732 0 40 FHAB CC(C)CCn1ccc(Nc2ccc3nnc(-c4ccc(F)cc4)n3n2)n1 1559163630 BAEDFJZJFROXEK-UHFFFAOYSA-N 365.416 3.917 0 40 FHAB Cc1cccc2cc(C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)sc12 558019544 PPTQTYAJTGGAQT-UHFFFAOYSA-N 350.399 3.688 0 40 FHAB CCN1CCC2(CC1)CN(Cc1ccncc1)Cc1cc(C)ccc1O2 72394195 XDODAEYODIRDJI-UHFFFAOYSA-N 351.494 3.639 0 40 FHAB Brc1cccc(OC[C@H]2CN(Cc3ccccc3)CCO2)c1 217498189 SNDQYBCLBQUDMM-GOSISDBHSA-N 362.267 3.729 0 40 FHAB CCOc1ccccc1C(=O)Nc1ncn(Cc2cccc(Cl)c2)n1 32610279 YZOBREWHWRUCQS-UHFFFAOYSA-N 356.813 3.631 0 40 FHAB O=C(CCc1ccccc1Br)NCc1ccc(C2CC2)nc1 1565522464 IPOARDZOICLAKC-UHFFFAOYSA-N 359.267 3.971 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)Nc2noc(-c3ccc(F)cc3)n2)c1C 32624291 HJLBFLLBXDTQBT-CYBMUJFWSA-N 355.369 3.899 0 40 FHAB O=C(NC1CC1)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCNC1 72391895 RAWWNOCHZBDVGJ-QFIPXVFZSA-N 352.453 3.684 0 40 FHAB Cc1cccc(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 225699058 ZPOCRKAZLCLVRI-IBGZPJMESA-N 366.505 3.522 0 40 FHAB COC(=O)c1cc(-c2csc(N)n2)ccc1OCc1ccc(F)cc1 85397505 LAFSEKKHWMJXIC-UHFFFAOYSA-N 358.394 3.897 0 40 FHAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C(C)(C)C)c1 223047790 OIBYVXYAJPMSDP-ROUUACIJSA-N 372.538 3.647 0 40 FHAB COc1ccc([C@@H](C)NC(=O)CCc2nc(-c3ccccc3)no2)cc1 225797084 IVWRDSHQIPHOHT-CQSZACIVSA-N 351.406 3.555 0 40 FHAB CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1COCc1ccccc1 224745749 QYCUEJBTHSLNLL-HXUWFJFHSA-N 369.461 3.711 0 40 FHAB CC(C)c1ccc(CN2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)cc1 130707113 OLURESVSIOXEOF-UHFFFAOYSA-N 373.585 3.726 0 40 FHAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)n1C 223377610 BLFDWNLUALGEFQ-PMACEKPBSA-N 362.502 3.901 0 40 FHAB O=C(NCCCCCc1nc2ccccc2[nH]1)c1c[nH]c2ccccc2c1=O 96118775 YYIQCGPRFIYVSH-UHFFFAOYSA-N 374.444 3.547 0 40 FHAB COc1ncccc1NC(=O)c1ccc2onc(-c3csc(C)n3)c2c1 96037855 XDTPKUJZDCVGTJ-UHFFFAOYSA-N 366.402 3.916 0 40 FHAB Cc1ccoc1C(=O)N1CCOC[C@H]1c1csc(-c2ccccc2)n1 96217367 GAPOSQVAPMCGJG-INIZCTEOSA-N 354.431 3.925 0 40 FHAB CC(C)CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 257249695 JJJWGMPDVRMQLP-UHFFFAOYSA-N 352.478 3.860 0 40 FHAB COc1ccccc1[C@@H](C)N1CCN(C(=O)c2sccc2Cl)CC1 585081685 GRCQNMNNBHCKBJ-CYBMUJFWSA-N 364.898 3.929 0 40 FHAB NC(=O)Cc1ccc(NC(=O)C2(Cc3cccc(F)c3)CCCCC2)cc1 585082991 NBYPOYUXRLEPID-UHFFFAOYSA-N 368.452 3.985 0 40 FHAB C=CC(=O)Nc1ccc(O)c(C(=O)Nc2nc3c(s2)CCCCCC3)c1 1136392837 VTEHCWYNOGZNOW-UHFFFAOYSA-N 371.462 3.885 0 40 FHAB CCN1CC[C@@H]1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 1628930036 BOPIEBHCOYTJHE-QGZVFWFLSA-N 351.475 3.920 0 40 FHAB COc1ccnc(CNC(=O)N[C@H](C)[C@@H]2CCCc3ccccc32)c1F 952993311 OSDODZGGGZCREZ-HIFRSBDPSA-N 357.429 3.537 0 40 FHAB C[C@@H](C(=O)N1CCC(c2noc(-c3cccnc3)n2)CC1)c1ccccc1 12186980 PLOROHUZHQBTSN-OAHLLOKOSA-N 362.433 3.641 0 40 FHAB COc1ccc(CCN2Cc3cc4ccccc4nc3OC2=O)cc1OC 12222629 WDVIONBFAXTXAK-UHFFFAOYSA-N 364.401 3.809 0 40 FHAB O=C(c1ccc(Br)cc1)c1ccc(N2CCOCC2)s1 16401138 KFGBWENVNVSVPC-UHFFFAOYSA-N 352.253 3.578 0 40 FHAB CC(C)C(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)(C(N)=O)CC1 19700453 KWVLMUSUCQZVNY-UHFFFAOYSA-N 364.489 3.646 0 40 FHAB Cn1c(-c2ccc(F)cc2)cnc1NC(=O)CCc1nc2ccccc2[nH]1 19717838 KDFXIRXVBAHWBD-UHFFFAOYSA-N 363.396 3.674 0 40 FHAB CC(C)c1csc(NC(=O)CC2CCN(Cc3ccccn3)CC2)n1 19748889 JZAYXKYNHAHMAX-UHFFFAOYSA-N 358.511 3.902 0 40 FHAB C[C@H](Sc1cccc[n+]1[O-])C(=O)Nc1nc(-c2ccccc2)cs1 5780043 LVHJAESMHQVIQM-LBPRGKRZSA-N 357.460 3.563 0 40 FHAB O=C(CNc1ccccc1Oc1ccccc1)NC(=O)NC1CCCC1 9368790 GDYAUOZAQLNVMO-UHFFFAOYSA-N 353.422 3.659 0 40 FHAB COc1ccc(CC(=O)Nc2cc(N3CCCC3=O)ccc2Cl)cc1 40090702 CSNGBSKYZSYZBU-UHFFFAOYSA-N 358.825 3.657 0 40 FHAB CCc1ccc2nc(NC(=O)c3ccccc3S(=O)(=O)CC)sc2c1 20007203 TVFJJCLCXBFSKF-UHFFFAOYSA-N 374.487 3.905 0 40 FHAB N=c1c2c(ncn1CCO)Oc1c(ccc3ccccc13)[C@H]2c1ccccc1 101173477 WXTYSEMPSQWCMK-LJQANCHMSA-N 369.424 3.794 0 40 FHAB CNC(=O)NC(=O)CCSC(c1ccc(F)cc1)c1ccc(F)cc1 32754436 JEMVQOWZCBWDIN-UHFFFAOYSA-N 364.417 3.633 0 40 FHAB CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nnc1-c1ccc(O)cc1 907368 YDEHNOOMGGHWHB-CYBMUJFWSA-N 368.462 3.790 0 40 FHAB CC(C)Oc1ccc(S(=O)(=O)N(C)Cc2cccnc2)c2ccccc12 42157629 UQNIWTNPGOSEKZ-UHFFFAOYSA-N 370.474 3.843 0 40 FHAB Cc1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1C 1368227 NJJVZGYPGLURJS-UHFFFAOYSA-N 373.503 3.949 0 40 FHAB O=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)C(F)(F)F 3041627 JCAGMBQJGGIJOC-UHFFFAOYSA-N 365.138 3.704 0 40 FHAB COc1ccc(-c2nnc(SCc3ccc(F)cc3)n2C)cc1OC 2523921 PXXYJRSPPLMHTB-UHFFFAOYSA-N 359.426 3.931 0 40 FHAB O=C(C[C@@H](NCCC1=CCCCC1)C(=O)O)Nc1ccccc1Cl 4280013 VEOMCUVLNZHXLW-MRXNPFEDSA-N 350.846 3.602 0 40 FHAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCCC(=O)O)cc1 907716 SFOISNSYBJHMMG-LJQANCHMSA-N 366.417 3.628 0 40 FHAB Cc1ccc(NC(=O)NC2(C(=O)NCc3ccncc3)CCCCC2)cc1 4927410 VXWNKZILLPPVFW-UHFFFAOYSA-N 366.465 3.531 0 40 FHAB CC(=O)c1cc2c(cc1NC(=O)CCOc1cc(C)ccc1C)OCO2 6260443 MZUBQVQZWWAPNY-UHFFFAOYSA-N 355.390 3.642 0 40 FHAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[C@H]1CC=CCC1 7717948 FLFCIFNUKGJNSR-ZDUSSCGKSA-N 354.372 3.837 0 40 FHAB Cc1nn(C)c2ncc(NC(=O)CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)cc12 105629904 JDWDKAMTUXPBIU-RPVQJOFSSA-N 358.486 3.693 0 40 FHAB C[C@H]1CCN(C(=O)c2cnn(-c3ccccc3)n2)c2ccccc2S1 24585219 RBPUOVVPAGZVML-AWEZNQCLSA-N 350.447 3.798 0 40 FHAB O=C(CSc1ccc2c(c1)OCCO2)N1CCC[C@@H]1c1cccs1 24631982 MTENBFYDYCTJJN-CQSZACIVSA-N 361.488 3.975 0 40 FHAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2C 10971800 SAHNXWIEHQQQCB-UHFFFAOYSA-N 368.433 3.719 0 40 FHAB CCCCn1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1c(F)cccc1F 101113613 UEWOHQNIDUOBIN-JJIBRWJFSA-N 372.375 3.541 0 40 FHAB COc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 8116980 XEEIFGIBYUVWHK-UHFFFAOYSA-N 372.380 3.748 0 40 FHAB Cc1cc2nnc(SCC(=O)N(C(C)C)C(C)C)n2c2ccccc12 3275061 MLGIJJHDYQYABI-UHFFFAOYSA-N 356.495 3.928 0 40 FHAB Cc1ccc(Nc2nnc(SCC(=O)NCc3ccccc3)s2)cc1 3234916 AQJIITSDJAXLRK-UHFFFAOYSA-N 370.503 3.999 0 40 FHAB C[C@@H](NC(=S)NCCc1ccccc1)[C@@H](c1cccs1)N1CCCC1 3211445 NRQMKRQAOPNFFE-APWZRJJASA-N 373.591 3.980 0 40 FHAB CNc1nc2ccccc2c2nnc(-c3ccc(Br)cc3)n12 1400148 OZLVUKNJJASRMY-UHFFFAOYSA-N 354.211 3.749 0 40 FHAB CC(C)OCCCN(C[C@H](O)c1ccccc1)C[C@H](O)c1ccccc1 3282801 KBGOHFFRCGJDDE-VXKWHMMOSA-N 357.494 3.571 0 40 FHAB CCN(CC)C(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 57486728 RDNRHANCJIHCSU-UHFFFAOYSA-N 358.829 3.727 0 40 FHAB CC[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCCO2 35511650 UUQSCDAYOLXEOJ-INIZCTEOSA-N 369.417 3.500 0 40 FHAB CC[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCCO2 35511651 UUQSCDAYOLXEOJ-MRXNPFEDSA-N 369.417 3.500 0 40 FHAB Cn1cc(-c2nc(C(=O)Nc3cccc(-c4nccs4)c3)cs2)cn1 58202004 FNWMWAHWUMKOGX-UHFFFAOYSA-N 367.459 3.919 0 40 FHAB c1ccc2c(c1)OC[C@@H](CNc1ncnc3sc4c(c13)CCCC4)O2 3341682 TXWNDYKLIGUAGZ-GFCCVEGCSA-N 353.447 3.822 0 40 FHAB CC(C)COc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1Cl 36395771 HHSMWHLPYILXCJ-UHFFFAOYSA-N 371.824 3.864 0 40 FHAB COc1ccccc1[C@@H](O)[P@](=O)(OC(C)C)c1ccc(N(C)C)cc1 2375275 JTBVPPFEPDCPLN-UQBPGWFLSA-N 363.394 3.781 0 40 FHAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)N[C@@H](C1CCCC1)C(F)(F)F 95942327 GRTXTPCQUUMRMH-YOEHRIQHSA-N 369.431 3.933 0 40 FHAB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1OC 20456169 UQDSDUQFASKUMX-DPQIITEBSA-N 371.433 3.612 0 40 FHAB Cc1ccc2[nH]c3c(N4CCN(c5ccccc5F)CC4)ncnc3c2c1 2301689 XMYJRNXCRJCKEE-UHFFFAOYSA-N 361.424 3.885 0 40 FHAB Cc1cc(C)cc(N2N=N[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]32)c1 101260349 KGHKFAYCVGOENS-IAGOWNOFSA-N 368.824 3.763 0 40 FHAB C[C@H](c1ccc(Cl)cc1)N(C)c1ccc2nnc(C(F)(F)F)n2n1 12853112 RPOPLMJCXKTGLN-SECBINFHSA-N 355.751 3.994 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)COc3c(C)ccc(C)c3C)ccc21 12847491 UCTFIYSNZOOXFZ-UHFFFAOYSA-N 352.434 3.538 0 40 FHAB CCOc1ccc(OCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 11584905 IWELVDTXHWBJQV-IBGZPJMESA-N 365.433 3.704 0 40 FHAB Cc1cc(Br)c(S(=O)(=O)n2cnc3ccccc32)cc1C 2501813 NYIIXQQKTJDXPT-UHFFFAOYSA-N 365.252 3.653 0 40 FHAB CCc1nnc(CSc2nnc(-c3ccc(N(CC)CC)cc3)n2C)o1 29878732 MRRZCNFIFBNOPP-UHFFFAOYSA-N 372.498 3.566 0 40 FHAB Cc1csc(CNC(=O)c2ccccc2C(=O)c2ccc(F)cc2)n1 29885655 YMHREMYWKBXFGD-UHFFFAOYSA-N 354.406 3.752 0 40 FHAB CCCCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccccc1)C3 20632371 YQGZLFBXAVNEIK-CQSZACIVSA-N 352.463 3.929 0 40 FHAB CCOc1ccccc1N1CCN(C(=O)c2ccc3ncsc3c2)CC1 3401664 CJUBNGJZFMTPJF-UHFFFAOYSA-N 367.474 3.657 0 40 FHAB Cc1nn(C)c(C(=O)NC2CCC(C(C)(C)C)CC2)c1Br 2779254 MFRQRTNSPFVWEE-UHFFFAOYSA-N 356.308 3.826 0 40 FHAB COc1cc(CC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)ccc1C 12978064 VPUXEESDXHJTRN-JOCHJYFZSA-N 369.461 3.831 0 40 FHAB C[C@@H](OCCCNC(=O)CCc1ccc2c(c1)OCO2)c1ccccc1 12920254 KPPJTUJKNUJGIO-MRXNPFEDSA-N 355.434 3.632 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)COc1ccc(F)c2c1C(=O)C[C@H]2C 12904003 JZKDQOMYSJJDKV-CHWSQXEVSA-N 371.408 3.780 0 40 FHAB Cc1cc(COC(=O)c2ccccc2C(=O)N(C)c2ccccc2)on1 13009350 PFIQBHOGFRCSDU-UHFFFAOYSA-N 350.374 3.617 0 40 FHAB CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)N1CCOCC1 63500217 ODVNNLHNBXPHGR-UHFFFAOYSA-N 356.422 3.659 0 40 FHAB O=C(OCCSc1nnc2sc3ccccc3n12)c1cccs1 13638562 QGKCYNVBHDWTMY-UHFFFAOYSA-N 361.473 3.955 0 40 FHAB COc1ccc(-c2nnc3ccc(Oc4cccc(C(C)=O)c4)nn23)cc1 13722892 MUDMMZXGTLZQIH-UHFFFAOYSA-N 360.373 3.795 0 40 FHAB O=S(=O)(C1=Cc2ccccc2CC1)N(Cc1ccco1)CC(F)(F)F 39972290 BXCLKUGNRJLANS-UHFFFAOYSA-N 371.380 3.961 0 40 FHAB CCN(C)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)c1 65534498 BLRILHXDOGRVOA-OAHLLOKOSA-N 371.506 3.695 0 40 FHAB O=C(Nc1nnc(C2CCCCC2)s1)c1cc(=O)[nH]c2ccccc12 14182987 RYYHKWQFQHFOHM-UHFFFAOYSA-N 354.435 3.680 0 40 FHAB C[C@H](OC(=O)[C@@H]1CCCc2cn[nH]c21)C(=O)Nc1ccc2ccccc2c1 95443988 FMSCCFYDJRGXDM-SCLBCKFNSA-N 363.417 3.553 0 40 FHAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(F)cc(N2CCCC2)c1 65626718 YTQQRHWMQPSWEE-ORAYPTAESA-N 356.397 3.593 0 40 FHAB C[C@@H](CCO)C1(CNC(=O)[C@@H](C)CSc2ccc(F)cc2)CCC1 95463250 HPLPXRANHIYWFG-GJZGRUSLSA-N 353.503 3.859 0 40 FHAB COc1ccccc1C1=NO[C@@H](COc2ccc3c(C)cc(=O)oc3c2)C1 5437448 IUBNADXYLDCCDW-OAHLLOKOSA-N 365.385 3.682 0 40 FHAB biogenic Cc1ccc(-n2ccc(=O)c(C(=O)Nc3cccc(Cl)c3C)n2)cc1 5484178 MMJUIEWORBNDPM-UHFFFAOYSA-N 353.809 3.755 0 40 FHAB CC(C)n1nc(C(=O)NCc2ccc(Cl)cc2)c2ccccc2c1=O 6628194 XHOJNOLRORDBAT-UHFFFAOYSA-N 355.825 3.561 0 40 FHAB C[C@H]1CCCC[C@H]1N1C(=O)C(=O)N(Cc2c(Cl)cccc2Cl)C1=O 5788066 GSMDBLYNIBVAOO-IINYFYTJSA-N 369.248 3.863 0 40 FHAB COc1ccccc1[C@@H]1C[C@H](c2ccc(C)cc2)N(C(C)=O)c2ncnn21 4816924 HHITXUBJJKDRFG-MOPGFXCFSA-N 362.433 3.682 0 40 FHAB Cc1cccc(NC(=O)COc2ncnc3ccc(Br)cc23)c1 6881728 ARLVMINOJFOCOQ-UHFFFAOYSA-N 372.222 3.718 0 40 FHAB CCOc1ccc(CN(C)C(=O)CCNC(=O)c2ccccc2Cl)cc1 6859581 YLFVWHMDRKAINH-UHFFFAOYSA-N 374.868 3.517 0 40 FHAB O=C(c1ccccc1)c1ccc(OS(=O)(=O)c2ccc(F)c(F)c2)cc1 7006687 RRBSYNMLVRMMDR-UHFFFAOYSA-N 374.364 3.964 0 40 FHAB O=C(COC(=O)c1cccc(Cl)c1Cl)c1ccc2c(c1)OCCO2 7108420 MYUQJQZAMLHPNM-UHFFFAOYSA-N 367.184 3.804 0 40 FHAB O=C(Nc1ccc(F)cc1)[C@@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 20718235 ILRNPUNLSGERLT-INIZCTEOSA-N 350.353 3.861 0 40 FHAB O=S(=O)(c1cccs1)N1CCC(c2nc3ccccc3s2)CC1 7305437 KBYGQNNZVNIXFG-UHFFFAOYSA-N 364.517 3.926 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)N(C)Cc3ccc(C)o3)o2)cc1 7485437 JBDJFEYWTHUTQP-UHFFFAOYSA-N 357.435 3.697 0 40 FHAB Cc1ccc(NC(=O)CNC(=O)Cc2cccc3ccccc23)cc1F 7787353 RIXQMUNMTDTCEN-UHFFFAOYSA-N 350.393 3.585 0 40 FHAB O=c1[nH]c(CSc2nnc(NC3CCCCC3)s2)nc2ccccc12 7738739 AMWWJXFRDCJFEG-UHFFFAOYSA-N 373.507 3.812 0 40 FHAB C[C@@H]1CCc2sc(-c3nnc(SC[C@@H]4CCOCO4)o3)cc2C1 8071332 NYBGYQQPRSAAPU-PWSUYJOCSA-N 352.481 3.778 0 40 FHAB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2C)c(C)n1C(C)C 8753335 VUTJGQLLQZEWIF-UHFFFAOYSA-N 369.494 3.851 0 40 FHAB O=C1C[C@H](c2cccc(Cl)c2)c2c(nc(-c3ccccc3)[nH]c2=O)N1 8742813 MUNOGZUDHGAKOA-CQSZACIVSA-N 351.793 3.564 0 40 FHAB COc1ccc(F)cc1C(=O)Nc1c(SC)cnn1-c1ccccc1 97014216 XROJPTONEKDYQD-UHFFFAOYSA-N 357.410 3.994 0 40 FHAB Cc1nc(C(=O)N2CCC[C@@H]2c2ccccc2)nn1-c1ccc(F)cc1 84280520 JCHPCDZFVQDGMP-GOSISDBHSA-N 350.397 3.692 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1cccc(C)c1C 24218242 AQOXJIVOBSOHNT-OAHLLOKOSA-N 354.450 3.849 0 40 FHAB O=C(N1CCC[C@H](Cn2ccnn2)C1)C1(c2cccc(F)c2)CCCCC1 89774849 NUVKMJJMBKAJNZ-KRWDZBQOSA-N 370.472 3.558 0 40 FHAB Fc1ccc(SCc2noc(CCc3nc(-c4ccoc4)no3)n2)cc1 545524541 HYQHSALGWDJRLW-UHFFFAOYSA-N 372.381 3.929 0 40 FHAB CCCn1nccc1C(=O)Nc1c(C)nn(Cc2ccccc2C)c1C 28241354 QVQOXTWZIVLGDE-UHFFFAOYSA-N 351.454 3.715 0 40 FHAB Cc1ccc(CSCCNC(=O)[C@@H](C)NC(=O)Nc2ccccc2)cc1 32736751 OYRJPEBCVBZNIR-MRXNPFEDSA-N 371.506 3.555 0 40 FHAB C[C@@H](CN1CCOCC1)[C@](O)(Cc1ccccc1)c1ccc(Cl)cc1 31938041 OKFYKMOGOWTGMW-LAUBAEHRSA-N 359.897 3.739 0 40 FHAB CN(C)C(=O)[C@@H](c1ccccc1)N(C)Cc1ccc(C(F)(F)F)cc1 39987536 VISYMXFEPFLJQJ-QGZVFWFLSA-N 350.384 3.967 0 40 FHAB CCOc1ccc(CCCNC(=O)[C@H](C)Oc2ccccc2OC)cc1 219500836 AVMPQQLEMZBFAY-INIZCTEOSA-N 357.450 3.610 0 40 FHAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@H]3c2cccc(Cl)c2)nn1 32095098 XDPBLRXZJCGEBR-ZDUSSCGKSA-N 369.812 3.756 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1 219527058 SDNLDUQWPWRSQN-IAGOWNOFSA-N 357.450 3.663 0 40 FHAB COc1ccc(-c2cccc([C@@H]3CCCN(C(=O)c4cnccn4)C3)n2)cc1 72349196 KPXYZKYPCOPHGX-QGZVFWFLSA-N 374.444 3.567 0 40 FHAB CCc1ccc(CC)c(CNC(=O)c2ccc(N3CCCC3=O)cc2)c1 225858654 HINOIEWXVXMCFN-UHFFFAOYSA-N 350.462 3.868 0 40 FHAB O=C(Cc1cccc(Br)c1)NCCCOC1CCCCC1 225620883 CHSAITLUFJGPED-UHFFFAOYSA-N 354.288 3.847 0 40 FHAB NC(=O)c1cc(Br)ccc1OCc1ccc(F)cc1Cl 226319178 YTSDUAGZCSZLJQ-UHFFFAOYSA-N 358.594 3.920 0 40 FHAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN(CC)CC)cc1 225618306 DBINZVPVVQBIRD-HXUWFJFHSA-N 350.503 3.941 0 40 FHAB Cc1cc(N2CCCCC2)nc(NC(=S)N[C@@H](C)c2ccccc2)n1 225962206 WQZWXPJHPRPEMZ-HNNXBMFYSA-N 355.511 3.823 0 40 FHAB COc1cc(-c2nc3ccccc3[nH]2)ccc1OCC(=O)N1CCCCC1 41005040 BHGHQJCCOMKMGO-UHFFFAOYSA-N 365.433 3.630 0 40 FHAB Cc1ccccc1CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)C 225699024 PXYIMGRHOYTNST-LJQANCHMSA-N 366.505 3.522 0 40 FHAB COc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3C)[nH]n2)cc1C 223260983 AHPSGLHFVUZLGA-UHFFFAOYSA-N 357.435 3.503 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NC(C)(C)C)ccc2C)cc1 224303120 HDEUJPKUFJOGDM-UHFFFAOYSA-N 374.506 3.657 0 40 FHAB COc1ccc(CNC(=O)NC[C@@H](OC)c2ccc(Cl)s2)cc1 225709435 CUDUTFFPKUJQDR-CYBMUJFWSA-N 354.859 3.597 0 40 FHAB COc1ccc(S(=O)(=O)NCCSCc2ccccc2)c(C)c1C 225208497 BFHJSHFKPDZVMY-UHFFFAOYSA-N 365.520 3.524 0 40 FHAB CCCC[C@@H](CC)CNS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 224375007 OTDKAUWOSHTVMX-MRXNPFEDSA-N 366.527 3.617 0 40 FHAB CCc1cc(S(=O)(=O)N(C)Cc2cccc(Cl)c2)ccc1OC 223750869 BYIZIKHZAREGQC-UHFFFAOYSA-N 353.871 3.732 0 40 FHAB CC(C)n1c2ccccc2c2c1cc(C(=O)N1CCC(N(C)C)CC1)n2C 96146403 BUOKBWXDANYDNX-UHFFFAOYSA-N 366.509 3.880 0 40 FHAB CCc1noc(C2(NCc3cc(Cl)sc3Cl)CCOCC2)n1 585114000 MDSFRDXBXWEMST-UHFFFAOYSA-N 362.282 3.796 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2c(C)cccc2C)C1 244448826 ZAMZAEMSINPTIP-MRXNPFEDSA-N 352.434 3.694 0 40 FHAB Cc1ccc(CN2CC[C@@H]3OCCC[C@@]3(COCc3ccncc3)C2)o1 248122160 VMXWFGDFSHZRGR-SFTDATJTSA-N 356.466 3.571 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)CN(c1ccccc1)S(C)(=O)=O 244329425 XNCGWKSLASUQHI-UHFFFAOYSA-N 360.479 3.523 0 40 FHAB O=C(OCc1nnc(C2CC2)o1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 63506691 QCMZTRCWHNZVCW-NEPJUHHUSA-N 352.312 3.813 0 40 FHAB NC(=O)/C=C\c1ccc(-c2ccc(Br)cc2Br)o1 352066473 YYTMDBKPTZSNSH-UTCJRWHESA-N 371.028 3.970 0 40 FHAB Cc1noc(CCCNC(=O)N2CCCC[C@H]2c2cccc(C)c2C)n1 608666903 OKKFGAVCOVIJNU-SFHVURJKSA-N 356.470 3.864 0 40 FHAB Cc1cc([C@@H]2CCCN(C(=O)c3c[nH]nc3-c3cccc(Cl)c3)C2)n[nH]1 669927242 VURLUJOGTOSHNE-CQSZACIVSA-N 369.856 3.781 0 40 FHAB O=C1C[C@H](c2cccc3ccccc23)c2c(O)nc(N3CCCCC3)nc2N1 670416186 WXYSSZOHRYYEJP-QGZVFWFLSA-N 374.444 3.800 0 40 FHAB CN1CCC[C@H](NC(=O)[C@@]2(Cc3ccc(Cl)cc3)C[C@H]3CC[C@H]2C3)C1 605304468 VALDBDVGAHBLFR-VKRLORBYSA-N 360.929 3.899 0 40 FHAB O=S(=O)(c1cccc2cccnc12)N1CCC(c2ccsc2)CC1 96120619 JWQHZKMQZHQFOV-UHFFFAOYSA-N 358.488 3.865 0 40 FHAB C[C@H](CC(=O)Nc1ccn(CCc2ccncc2)n1)c1ccc(F)cc1 58197233 RZOGHDOQRYEDEP-OAHLLOKOSA-N 352.413 3.792 0 40 FHAB COc1ccc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[nH]c2=S)cc1 58430236 YXMFOFBIZHSQNH-SNVBAGLBSA-N 360.464 3.877 0 40 FHAB C[C@H](CO[C@H]1CCOC1)N[C@@H]1CCc2c(Br)cc(Cl)cc21 95976494 CGGFREDLBDXSKV-RSAASHCRSA-N 374.706 3.873 0 40 FHAB CS(=O)(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 11608633 YAVNTKUSYYQDBQ-UHFFFAOYSA-N 359.234 3.617 0 40 FHAB CC(=O)NCc1ccc(-c2csc(NC(=O)/C=C/c3cccs3)n2)o1 16724135 AFUUCIXEAZOXPN-FNORWQNLSA-N 373.459 3.753 0 40 FHAB CC(C)CC(=O)N[C@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccc(F)cc1 19446618 FNTKAMIZNVGANF-GOSISDBHSA-N 371.456 3.623 0 40 FHAB Cc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)C4CC4)C3)noc2n1 19568563 YUOKFIQXOBNDGY-LLVKDONJSA-N 353.344 3.666 0 40 FHAB Cc1[nH]c2ccccc2c1[C@H]1CC[C@@H](NC(=O)CCCN2CCCC2=O)C1 19581680 QJCJEJPSCDYZPV-DLBZAZTESA-N 367.493 3.631 0 40 FHAB Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1C 3482156 VILRQUTUPCGWEY-UHFFFAOYSA-N 372.490 3.730 0 40 FHAB NNc1nc2c(Br)cc(NC(=O)c3cccs3)cc2s1 226311322 GHYMSFRBYDQNNF-UHFFFAOYSA-N 369.269 3.658 0 40 FHAB CC(C)CNC(=O)CN(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 11087952 HEJSYVANSZRPBG-KRWDZBQOSA-N 367.493 3.704 0 40 FHAB Cc1ccc(CN2C(=O)CC[C@]23CCCN(Cc2cccnc2)CC3)cc1 1614946560 KONWCOOLVKNPQD-QHCPKHFHSA-N 363.505 3.937 0 40 FHAB CCn1c(=S)sc2c(N3CCN(C)CC3)nc(-c3ccccc3)nc21 1425587 YQMBTFGZMIKBJV-UHFFFAOYSA-N 371.535 3.661 0 40 FHAB O=C(Nc1cccc(F)c1)c1cccn(Cc2ccc(Cl)cc2)c1=O 5269311 LKPZEBBCYMQCPB-UHFFFAOYSA-N 356.784 3.941 0 40 FHAB O=C(Nc1ccon1)c1cn(Cc2ccccc2)nc1OCc1ccccc1 9100637 VFMCSHLCKFPZDD-UHFFFAOYSA-N 374.400 3.751 0 40 FHAB Cc1ccc(C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCOCC2)cc1C 23180946 UASPYWVWLKQUQL-QFBILLFUSA-N 358.507 3.557 0 40 FHAB O=C(Cc1cc(-c2cc3ccccc3o2)on1)Nc1ccc2c(c1)OCO2 23127291 CLJYFQZVIGJUEG-UHFFFAOYSA-N 362.341 3.998 0 40 FHAB CCCn1cc(C(=O)Nc2ccc(OCC)cc2)c(=O)c2ccc(C)nc21 49002267 FKQQMPJTZDDTQA-UHFFFAOYSA-N 365.433 3.766 0 40 FHAB O=C(NCc1cncc(-c2ccoc2)c1)c1cc(-c2ccc(F)cc2)[nH]n1 575619990 IMFRFGPDNVIKFN-UHFFFAOYSA-N 362.364 3.801 0 40 FHAB Fc1cc(F)c2nc(N3C[C@@H]4CN(c5ccccn5)C[C@@H]4C3)sc2c1 2298095512 KGSKVTMPDQDWHX-TXEJJXNPSA-N 358.417 3.542 0 40 FHAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N[C@H](C)c2cccs2)c1 15544443 JJSJSXOPJQSZAP-GFCCVEGCSA-N 358.492 3.855 0 40 FHAB O=C(Nc1ccnn1Cc1cccs1)c1csc(-c2ccco2)n1 40052394 SWHRCBQTLLOXPG-UHFFFAOYSA-N 356.432 3.962 0 40 FHAB COc1ccc(CCC(=O)N[C@@H](CC(C)C)c2nnc3ccccn23)cc1 20736175 SIGFZBDJGZYEEZ-SFHVURJKSA-N 366.465 3.574 0 40 FHAB CN(C)[C@@H](CNC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 32593854 KQUOGINHMYMFJX-FQEVSTJZSA-N 372.484 3.921 0 40 FHAB COc1cc(C(=O)N(C)Cc2ccc(C)o2)ccc1OCc1cscn1 32779825 ORDOLDHSNHXXGS-UHFFFAOYSA-N 372.446 3.904 0 40 FHAB CC(=O)N[C@H](CC(=O)N[C@H](c1cccs1)C(C)C)c1cccs1 21467100 BKCNKQBTWCHWHP-DYVFJYSZSA-N 350.509 3.890 0 40 FHAB C[C@@H](Sc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NC[C@H]1CCCO1 32883822 WMRBAGOPEOLYCR-BXUZGUMPSA-N 366.870 3.771 0 40 FHAB NC(=O)COc1cccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1 32908486 FFMNJFVRXHBRMC-UHFFFAOYSA-N 372.852 3.655 0 40 FHAB CC(=O)c1c(C)nc(-c2ccco2)nc1SCC(=O)N[C@@H](C)C(C)C 32902159 JTQJNUHDAPBROX-NSHDSACASA-N 361.467 3.500 0 40 FHAB C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccc(F)cc1 21843446 IMFLLPPYAPZWPF-RHSMWYFYSA-N 372.415 3.694 0 40 FHAB C[C@H](c1ccc(F)cc1)N(C)C(=O)Cc1ccc(N2CCCC2=O)cc1 21837220 ISYLBBVFBOBWPK-OAHLLOKOSA-N 354.425 3.715 0 40 FHAB COCCCC(=O)N[C@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 53261617 JKHSKLFXAOENQF-OAHLLOKOSA-N 355.438 3.934 0 40 FHAB CC(=O)Nc1ccc(OC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1 18947259 WUMHWZZFDDNHIH-UHFFFAOYSA-N 365.389 3.542 0 40 FHAB O=C(CSc1nnc(COc2cccc3ccccc23)o1)N1CCCC1 875885 KEYDIKZIGOTWRV-UHFFFAOYSA-N 369.446 3.516 0 40 FHAB Cc1ccccc1NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 812768 XCIDWHIHTGYTNB-GFCCVEGCSA-N 367.474 3.530 0 40 FHAB Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)cc2)cc1 4858197 YHEQVPNGNDZSSY-NFQUHZNNSA-N 372.424 3.559 0 40 FHAB Cc1ccccc1NC(=O)CSc1nnc(CCC2CCCCC2)n1N 7140201 DOXMQJXDVJUNSW-UHFFFAOYSA-N 373.526 3.544 0 40 FHAB CCC(=O)c1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1 7365135 NHXUNEJIRCQDGS-UHFFFAOYSA-N 374.462 3.641 0 40 FHAB CC(=O)c1cccc(OC[C@H](O)CN(C)[C@H](C)c2ccc(F)c(F)c2)c1 23674135 VZAHBJUSERMORJ-CXAGYDPISA-N 363.404 3.600 0 40 FHAB COc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(N)cc3)c2)cc1 7468274 CMYTZRWBDNLQBF-UHFFFAOYSA-N 361.401 3.782 0 40 FHAB CCn1c2ccccc2c2nnc(SCc3noc(CC(C)C)n3)nc21 12552532 YBRFAYVUPFCNDW-UHFFFAOYSA-N 368.466 3.873 0 40 FHAB COc1ccc(OC)c(NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1 10129580 WSGRALDSKFOEHE-HNNXBMFYSA-N 366.458 3.582 0 40 FHAB CC(=O)N[C@H](CC(=O)N1CCc2sccc2[C@H]1C)c1ccc(C)cc1 24277379 ZGJKHULPURDODX-RDTXWAMCSA-N 356.491 3.770 0 40 FHAB CC[C@@H]1c2ccsc2CCN1C(=O)C[C@H](C)NC(=O)c1ccccc1 24277208 MTAQFIKVGHLMLS-WMLDXEAASA-N 356.491 3.793 0 40 FHAB O=C(COC(=O)[C@@H]1CC=CCC1)Nc1ncc(C(F)(F)F)cc1Cl 10850844 FBSMTEFBVYNJBQ-SECBINFHSA-N 362.735 3.592 0 40 FHAB CN(C)C(=S)/N=c1\ss/c(=N/c2ccccc2)n1-c1ccccc1 104276721 DXNDTEDEDHZVKV-KZTQHSAISA-N 372.544 3.580 0 40 FHAB CCOc1cc(CNn2c(C)n[nH]c2=S)ccc1OCc1ccccc1 8254664 GCBIECRQTUTAAW-UHFFFAOYSA-N 370.478 3.971 0 40 FHAB Cc1sc(-n2cccc2)c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1C 25154634 MFTVPKQTRZATDV-UHFFFAOYSA-N 352.419 3.578 0 40 FHAB CC(C)(CNC(=O)CCc1cccc(F)c1)N1CCc2ccccc2C1 25463699 KLKNGPHQXSWEHR-UHFFFAOYSA-N 354.469 3.711 0 40 FHAB C[C@H]1CCCN(C(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)C1 12601764 ISEKZURPHDKEEV-HZMBPMFUSA-N 372.412 3.767 0 40 FHAB C[C@H](NCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1 57873076 BXAQIBVFSCYUFF-AWEZNQCLSA-N 371.868 3.756 0 40 FHAB CCCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 2093670 GRUMFCPQJZYFPI-HXUWFJFHSA-N 354.475 3.601 0 40 FHAB Cc1cnc(NC(=O)[C@@H]2CCC[C@@H](C(=O)Nc3ncc(C)s3)C2)s1 58197908 VHTRDVXYAYXBPA-VXGBXAGGSA-N 364.496 3.600 0 40 FHAB CN1CCN(C(=O)CC23C[C@@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)CC1 100775069 SVFLALMSYJMEDE-NAMINWQUSA-N 352.522 3.689 0 40 FHAB c1ccc(CCN2CCC[C@@]3(C[C@@H](CNc4nccs4)CO3)C2)cc1 107790676 ODTCPRFBVSPXNF-AZUAARDMSA-N 357.523 3.669 0 40 FHAB COc1ccccc1-c1c(C)oc2cc(OC(=O)N(C)C)ccc2c1=O 2107883 QOVLEYZXOMMYNW-UHFFFAOYSA-N 353.374 3.837 0 40 FHAB biogenic CC(C)NC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1 3309325 MGVFQMVNUJQGJV-UHFFFAOYSA-N 360.460 3.706 0 40 FHAB CCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1-c1cccs1 3322864 KFGXSNIKTHWHNJ-UHFFFAOYSA-N 372.519 3.743 0 40 FHAB CCOC(=O)N[C@@H](N(O)c1cccc(Cl)c1)C(Cl)(Cl)Cl 2311874 GGHPUKQPXKBPOZ-VIFPVBQESA-N 362.040 3.978 0 40 FHAB Cc1cc(C)n2nc(SCc3cc(=O)oc4cc(C)c(C)cc34)nc2n1 3374488 BRZJSUROROLNLM-UHFFFAOYSA-N 366.446 3.757 0 40 FHAB O=C(NC[C@H]1Cc2ccccc2O1)c1ccc(Br)cc1Cl 48355269 XYDPMVGKHVEPDS-GFCCVEGCSA-N 366.642 3.836 0 40 FHAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(C)Cc1cccc(Cl)c1 12848954 SCSWYJOSSXYCJA-CYBMUJFWSA-N 360.841 3.570 0 40 FHAB C[C@@H](NC(=O)N1CCC(c2c[nH]c3ncccc23)CC1)c1cccc(O)c1 114967350 WWHGGQUEPAFSFI-CQSZACIVSA-N 364.449 3.919 0 40 FHAB O=C(COc1ncnc2sccc12)Nc1ccc(C(F)(F)F)cc1 2617657 FRBUMSSSWSPMBT-UHFFFAOYSA-N 353.325 3.728 0 40 FHAB CO[C@@H]1CCC[C@H](OC(=O)Cc2csc(Cc3ccc(F)cc3)n2)C1 68492343 AMCOLWXCKQRQAL-SJORKVTESA-N 363.454 3.916 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccccc1C(F)(F)F 3428075 UFRSXWZKLUZVCG-UHFFFAOYSA-N 352.312 3.925 0 40 FHAB CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 20612035 WIVVPYMBYDRTDG-UHFFFAOYSA-N 370.880 3.851 0 40 FHAB COC(=O)c1cnn2c1N[C@H](c1ccc(Cl)cc1)C[C@@H]2C(F)(F)F 2781063 NSLNNVKGBGTXHE-NWDGAFQWSA-N 359.735 3.983 0 40 FHAB CCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nc2ccccc2c1=O 12981591 LKRJYFLIOUHEHR-LLVKDONJSA-N 358.467 3.950 0 40 FHAB Cc1cccc2c(=O)n(CC(=O)N(C)[C@@H](C)c3ccc(Cl)cc3)cnc12 12923930 DMWKSGIYEFSLDL-AWEZNQCLSA-N 369.852 3.578 0 40 FHAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCC[C@@H]1c1nnc2ccccn12 12920086 YTMHVRBNTPZUDT-OAHLLOKOSA-N 374.366 3.654 0 40 FHAB COC(=O)c1ccc(OC(=O)C2(c3cccc(Cl)c3)CC2)c(OC)c1 13006192 DQULSLFABJFUHM-UHFFFAOYSA-N 360.793 3.772 0 40 FHAB C[C@@H](NCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1cccc(Cl)c1 13040169 OBGZKMQJYRIPKZ-SNVBAGLBSA-N 359.882 3.978 0 40 FHAB O=c1[nH]c(CSCc2cc(Cl)c3c(c2)OCO3)nc2ccsc12 9642683 XNABHBOEUJBGIK-UHFFFAOYSA-N 366.851 3.800 0 40 FHAB COc1cc2nc(-c3ccccc3Br)oc(=O)c2cc1OC 4164275 UZYJBZKHOAPOPN-UHFFFAOYSA-N 362.179 3.635 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CC=C(c3ccc(O)cc3)CC2)c1C 25680226 QBZZGCXFPWFXPW-HNNXBMFYSA-N 366.461 3.900 0 40 FHAB COc1ccccc1OCCN1CCN(c2nsc3ccccc23)CC1 13723459 DBSNRKWDTFJZJI-UHFFFAOYSA-N 369.490 3.506 0 40 FHAB C[C@@H]1CCc2sc3c(c2C1)c(=O)n(-c1ccc(Cl)cc1)c1nncn31 5100556 IUONVNHFJFIHJM-SNVBAGLBSA-N 370.865 3.873 0 40 FHAB COc1c(CN2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)c(C)nn1C 93387232 WFNJKWLAMAJCHQ-QGZVFWFLSA-N 365.481 3.507 0 40 FHAB COCCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1Cl 13856364 DSBZIRDGYLKNQU-VAWYXSNFSA-N 372.852 3.758 0 40 FHAB COc1ccc(-c2nnc3sc(COc4cccc(C)c4)nn23)cc1 13956901 IJSGFNMOJKZZOU-UHFFFAOYSA-N 352.419 3.749 0 40 FHAB CCc1ccc(NC(=O)c2nn(-c3cccc(Cl)c3)ccc2=O)cc1 9205756 KQAMSMIXMOFODW-UHFFFAOYSA-N 353.809 3.701 0 40 FHAB COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1cc(C(=O)N(C)C)ccc1C 65550736 MWYVHTCIHPROEK-OAHLLOKOSA-N 369.465 3.897 0 40 FHAB CCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@@H](c1ccccc1)N2 5324810 UYLVIXKZZGJABA-DLBZAZTESA-N 365.412 3.912 0 40 FHAB O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NCCc1ccccc1 14123611 DMVILMOQGYKGOC-MRXNPFEDSA-N 360.866 3.502 0 40 FHAB CCN(CC(=O)NCc1cccs1)C(=O)/C=C/c1ccc(Cl)s1 14199918 LUOKQZZRUZMNAW-SOFGYWHQSA-N 368.911 3.641 0 40 FHAB COc1ccc(Cl)cc1NC(=O)C(=O)Nc1cc(Cl)ccc1OC 4506227 FVTCEGNIBQWTDI-UHFFFAOYSA-N 369.204 3.588 0 40 FHAB Cc1nc(CN2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)oc1C 96000092 FSWSNZNJYNSNPU-INIZCTEOSA-N 371.485 3.523 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(F)cc1 20035623 FHDMHGJIOITQEM-SFHVURJKSA-N 358.413 3.762 0 40 FHAB COC(=O)c1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2ccc(C)cc2)C(=O)N1 4852847 UZCUMINIHMVENP-OXQOHEQNSA-N 352.390 3.551 0 40 FHAB COc1cccc(-n2cnnc2SCc2cn3cc(Cl)ccc3n2)c1 5895224 SKAIEELIEXXBAZ-UHFFFAOYSA-N 371.853 3.869 0 40 FHAB Nc1nc2c(s1)[C@H](c1ccc(OCc3ccc(F)cc3)cc1)CC(=O)N2 15107521 FXQFZELSCWPCPK-HNNXBMFYSA-N 369.421 3.918 0 40 FHAB Cc1cc(C)n2nc(Sc3ncnc4sc5c(c34)CCCC5)nc2n1 15544251 WIYREQDNXJIJJB-UHFFFAOYSA-N 368.491 3.776 0 40 FHAB C[C@H]1CCCN(CC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)C1 16334627 UVCFBZNFCJHWOD-FXAWDEMLSA-N 350.462 3.885 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NC(=O)[C@H]1CC=CCC1 8071951 DBCYZKMBYZKQGJ-AWEZNQCLSA-N 364.401 3.962 0 40 FHAB COCCNC(=O)c1ccccc1NC(=O)c1ccccc1SC(C)C 8041798 RSJKOEMAFFDOEK-UHFFFAOYSA-N 372.490 3.816 0 40 FHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cn(C)c2ccccc12 8146593 DRFFSUXJULPVGS-OAHLLOKOSA-N 359.433 3.592 0 40 FHAB Cc1ccc(-c2csc3ncnc(N[C@@H](C)Cn4cncn4)c23)cc1 69192809 AELJQJJNGBTJOP-ZDUSSCGKSA-N 350.451 3.759 0 40 FHAB COc1cc(NC(=O)c2ccoc2)c(OC)cc1NC(=O)c1ccccc1 8744808 ISGFCRHPDKMTAJ-UHFFFAOYSA-N 366.373 3.801 0 40 FHAB O=C(NCC[C@H](c1ccc(F)cc1)c1ccco1)c1n[nH]c2c1CCCC2 8739100 YVFGUTCMMBIITQ-MRXNPFEDSA-N 367.424 3.973 0 40 FHAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccncc3)[C@@](O)(C(F)(F)F)[C@H]2C1 409094504 DLINXHWMNLHEDN-IGCXYCKISA-N 369.387 3.607 0 40 FHAB Cc1noc(-c2ccc(C(=O)NCCc3cccc4cccnc34)cc2)n1 97100713 PRFQOMAHDXMCHG-UHFFFAOYSA-N 358.401 3.566 0 40 FHAB CC(=O)c1ccc(OCCCC(=O)NCCCCCCCC(=O)O)cc1 95991952 JKZRKDTWLDYSQC-UHFFFAOYSA-N 363.454 3.590 0 40 FHAB C[C@@H](NCc1cnc([C@H]2CCCO2)s1)c1ccc(N2CCCC2=O)cc1 89904803 ULYWQBGCLZCOHM-RDTXWAMCSA-N 371.506 3.972 0 40 FHAB COCc1nc2nccc(-c3cc4c(cc3C)NC(C)(C)C[C@H]4C)n2n1 1548338373 SUVWAFUMLUUSFL-CYBMUJFWSA-N 351.454 3.944 0 40 FHAB C[C@H]1C[C@H](C)CN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 28199766 ZWHPDCMVYSWGIE-RYUDHWBXSA-N 364.898 3.789 0 40 FHAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2F)NC(=S)N1C 28464404 ORVYJIOLSOMBAL-SFHVURJKSA-N 370.449 3.704 0 40 FHAB CSc1cccc(NC(=O)CSc2ccc3nnc(C(C)C)n3n2)c1 524732832 RREKKQRPJMLBQI-UHFFFAOYSA-N 373.507 3.700 0 40 FHAB Cc1cn([C@H](C)c2ccccc2)[nH]c1=NC(=O)N1CCc2ccccc2CC1 527315720 WITIQWXNCUVQDP-GOSISDBHSA-N 374.488 3.855 0 40 FHAB COc1cccc(O[C@@H](C)C(=O)NCCSCc2ccccc2C)c1 30753122 LKYHSQLBPBWJMY-INIZCTEOSA-N 359.491 3.821 0 40 FHAB COc1cccc([C@@H]2C[C@@H](O)CN2c2ncc(F)c(-c3ccsc3)n2)c1 561227354 MQRNITFVOVZWOY-PBHICJAKSA-N 371.437 3.665 0 40 FHAB CC(C)(C)[C@@H]1CCCN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1 78759301 OBEFXVXPDYVPJD-MRXNPFEDSA-N 368.543 3.712 0 40 FHAB CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccccc2)n2ncnc2N1 40484536 UUENRPVJVNYFGM-QGZVFWFLSA-N 365.824 3.859 0 40 FHAB COc1ccccc1OC(=O)c1cc(C)nc2c1nc1n2CCCCC1 44000679 DEPUIRWGFMXLKF-UHFFFAOYSA-N 351.406 3.694 0 40 FHAB O=C(CCSCc1ccccc1)NCc1nc(-c2cccs2)no1 78579530 RYJJSFXPBWAYNO-UHFFFAOYSA-N 359.476 3.738 0 40 FHAB COc1ccc(OC(F)F)c(NC(=O)NCCc2ccccc2F)c1 40120571 OYDDVBOKURJYSM-UHFFFAOYSA-N 354.328 3.800 0 40 FHAB O=C(NC[C@]1(O)CCc2ccccc21)Nc1ccc(Cl)c(Cl)c1 75155798 FQUZCIFDRBQSBD-QGZVFWFLSA-N 351.233 3.949 0 40 FHAB C[C@H]1CCc2[nH]c3ccc(C(=O)N4CC[C@@H](c5nccn5C)C4)cc3c2C1 328780928 MRSMQLAPZWGEIB-GOEBONIOSA-N 362.477 3.656 0 40 FHAB Cc1ccc(OCCNS(=O)(=O)Cc2ccccc2Cl)cc1Cl 224151692 HOVVBFOXMIVTQK-UHFFFAOYSA-N 374.289 3.800 0 40 FHAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCOc1cc(C)cc(C)c1 224095942 HYEVZGLJEOKQPQ-GOSISDBHSA-N 357.450 3.665 0 40 FHAB Cc1nc2nc3ccn(CC(C)C)c(=O)c3c(-c3ccccc3Cl)n2n1 40398387 ZXAJGCKBILWZNZ-UHFFFAOYSA-N 367.840 3.724 0 40 FHAB CO[C@H](CNC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)s1 225709369 SRZIQGOLJQYMQG-GFCCVEGCSA-N 354.815 3.639 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 224704092 QPUHTLLFPARTBL-IBGZPJMESA-N 366.505 3.789 0 40 FHAB CCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1C(=O)OC 225807412 QGTNBYKBYZNXHL-VBKZILBWSA-N 363.454 3.796 0 40 FHAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C 224574241 HQSONQFRAWUFJV-MOPGFXCFSA-N 364.474 3.606 0 40 FHAB Cc1ccc2c3c1C(=O)C(=O)N3C(C)(C)C=C2CN1[C@@H](C)CCC[C@H]1C 334161240 XAZGECPBGQZRLB-GASCZTMLSA-N 352.478 3.963 0 40 FHAB CCn1nc(C(=O)N2CC(Cc3c(F)cccc3Cl)C2)cc1C1CC1 1586906181 YQGQVQUEUWPUKF-UHFFFAOYSA-N 361.848 3.888 0 40 FHAB O=C1CC[C@]2(CCCN(Cc3ccoc3)CC2)N1Cc1cccc(F)c1 96047549 PTHDSXXLXSHQPK-NRFANRHFSA-N 356.441 3.966 0 40 FHAB O=C(NCc1ccc(F)cc1)N1CCC(Oc2ccc(Cl)cn2)CC1 96024956 HKBKWZCSBBCIQJ-UHFFFAOYSA-N 363.820 3.627 0 40 FHAB CC(C)N(Cc1ccccc1)Cc1nc(N)nc(Nc2ccc(F)cc2)n1 97010690 ZPUDLFCACGRKAO-UHFFFAOYSA-N 366.444 3.747 0 40 FHAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@@H]3C)CC2)n1 257229900 FZXWDHRNGGDASN-LEUOFYLZSA-N 364.493 3.893 0 40 FHAB Cc1cccc(Nc2nccnc2C2CCN(Cc3cncs3)CC2)n1 257216321 CTZQPDNMYIRZRQ-UHFFFAOYSA-N 366.494 3.760 0 40 FHAB Cc1ccc2c(CCNC(=O)N3CCC[C@H]3c3cc(C)no3)cn(C)c2c1 547711508 COLIJGXCBGTCHD-SFHVURJKSA-N 366.465 3.872 0 40 FHAB CCc1oc2ccccc2c1CN(C)C(=O)N=c1cc[nH]cc1N(C)C 670081359 LRTXACYAERGBFP-UHFFFAOYSA-N 352.438 3.542 0 40 FHAB O=C(Cn1nnc2ccccc21)N1CCCC[C@@H]1c1cccc(Cl)c1 1626437006 CCZQVVQVXUBCAV-QGZVFWFLSA-N 354.841 3.839 0 40 FHAB Cc1ccoc1C(=O)N1Cc2cccn2C[C@H](CCNc2ccccn2)C1 585095543 VXLCIYOUVYTVFT-KRWDZBQOSA-N 364.449 3.559 0 40 FHAB C[C@@H](NC(=O)NCCc1ccccc1F)c1ccc(NC(=O)C2CC2)cc1 32794877 VURCUVVGYIKUJL-CQSZACIVSA-N 369.440 3.777 0 40 FHAB Cc1ccc(OC2CCN(Cn3c(=O)oc4ccccc43)CC2)cc1C 48279595 GPDHINUIXIQJSH-UHFFFAOYSA-N 352.434 3.712 0 40 FHAB Cc1cccc(CN2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)c1 1615158995 SWMUOVKFHFUITB-QFIPXVFZSA-N 368.452 3.532 0 40 FHAB Cc1ccccc1CN1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 1615122610 PYHAHCBKQOLTNG-HSZRJFAPSA-N 364.489 3.783 0 40 FHAB CC(=O)Nc1ccc(OCCOc2cccc(Br)c2)cc1 5347066 SHLANOYJOKSGBS-UHFFFAOYSA-N 350.212 3.865 0 40 FHAB C[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccc2c(c1)OCCO2 14218768 GMOUANFJQJINER-HNNXBMFYSA-N 363.413 3.867 0 40 FHAB C[C@H]1CCC[C@@H](NC(=O)[C@@]2(C)CC2(Br)Br)[C@@H]1C 17075383 ONPFGMBLRBYCSL-BTQIBKBOSA-N 367.125 3.823 0 40 FHAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cccc(C)c3)C2=O)o1 6302230 RFBJTVRMBQXMIK-OQLLNIDSSA-N 357.387 3.611 0 40 FHAB Clc1cc2nn(-c3ccccc3)nc2cc1I 226358653 AGLDCBWUOLTETH-UHFFFAOYSA-N 355.566 3.679 0 40 FHAB CC(C)C[C@H]1COc2ccccc2CCCCC2(CCNCC2)C(=O)N1 643555479 UPMINFQPDCWAHU-IBGZPJMESA-N 358.526 3.693 0 40 FHAB Cc1cccc(C)c1[C@@H]1CCCN1C(=O)NCc1ccc(CO)c(F)c1 663892351 DHUYEOBIRLIZFD-IBGZPJMESA-N 356.441 3.982 0 40 FHAB Cc1ccc(N2N=C([N+](=O)[O-])[C@H](c3ccco3)N[C@@H]2c2ccco2)cc1 21947019 MDKVOPKYHWFPMG-IRXDYDNUSA-N 352.350 3.621 0 40 FHAB COCCN1CCCc2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc21 35588227 JKZGANVUVGGHCH-UHFFFAOYSA-N 374.506 3.503 0 40 FHAB CC(C)C[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccccc1 18131280 LDBQEPJHHOSYQB-GOSISDBHSA-N 366.461 3.706 0 40 FHAB CC(C)c1ccc2c(=O)c(C(=O)O)cn(Cc3cccc(C(=O)O)c3)c2c1 1889217633 IHIMWMQROGMNIG-UHFFFAOYSA-N 365.385 3.570 0 40 FHAB O=C(Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2)c1ccccc1 1446112 NAOWFVURTOMAOJ-UHFFFAOYSA-N 359.381 3.941 0 40 FHAB Fc1ccc(Cn2nnc3c(SCc4ccccc4)ncnc32)cc1 4166461 HOIFZFQFGROOAB-UHFFFAOYSA-N 351.410 3.701 0 40 FHAB Cc1ccc(C)c2[nH]c(=O)c(CCNC(=S)Nc3cccc(F)c3)cc12 4225387 ZFKOHTQYAGKZKN-UHFFFAOYSA-N 369.465 3.813 0 40 FHAB COc1cccc(NC(=O)CCc2csc(NC(=O)c3ccco3)n2)c1 11835290 RYLAZHROSDQXRP-UHFFFAOYSA-N 371.418 3.568 0 40 FHAB COc1ccc(CCC(=O)NCCCOc2cccc3cccnc23)cc1 38680907 RTGMRAIIXQZBHT-UHFFFAOYSA-N 364.445 3.761 0 40 FHAB Cc1nc2ccccn2c1C(=O)N(Cc1cccs1)Cc1cccn1C 49409894 OFOSRXYKCQYZAB-UHFFFAOYSA-N 364.474 3.885 0 40 FHAB Cc1ccc(C)c(CN2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)c1 2298212770 ISEDLQIVCAXDDK-QGZVFWFLSA-N 350.453 3.773 0 40 FHAB Cc1nc(NC(=O)Cc2c[nH]c3ccccc23)sc1-c1nccn1C 40039728 UKFQGSYAPDNEQY-UHFFFAOYSA-N 351.435 3.515 0 40 FHAB O=C(COc1ccc(Cl)c2ccccc12)Nc1nnc2ccccn12 30692369 UYUCQRDXBMXYHX-UHFFFAOYSA-N 352.781 3.553 0 40 FHAB O=C1Nc2ccccc2[C@]12CC(O)=Nc1c2cnn1-c1ccccc1Cl 20730506 BEJSMIRWNDWMMW-IBGZPJMESA-N 364.792 3.756 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(C)[C@@H]1CCc2ccccc21 32905684 FBCKRZVLFSEPKL-HXUWFJFHSA-N 373.456 3.818 0 40 FHAB CCc1ccc(C(=O)NCc2ccc(OC[C@@H]3CCCO3)c(OC)c2)cc1 32930363 GHBOJQSDBSUGTG-IBGZPJMESA-N 369.461 3.745 0 40 FHAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](C)c3ccccc3)ccc12 846909 OHUPHRRZJKTZSG-CABCVRRESA-N 351.402 3.746 0 40 FHAB CCNC(=S)N(Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O 883237 ITXRJKSCYFPKCF-UHFFFAOYSA-N 365.502 3.733 0 40 FHAB Cc1cccc(CN2CCN([C@H](C)c3nnc(-c4cccs4)o3)CC2)c1 22802622 YJLMNFCFYXKAHL-MRXNPFEDSA-N 368.506 3.985 0 40 FHAB Cc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)c2c(C)nn(C)c2n1 22976242 KUBFKAOCQMBCKK-UHFFFAOYSA-N 362.355 3.534 0 40 FHAB Cc1nc(N)nc(Nc2ccc(Br)cc2)c1Br 1675010 DTEZDVQWXKKMCO-UHFFFAOYSA-N 358.037 3.636 0 40 FHAB CCN(CC)CC[C@](O)(Cc1ccccc1)[C@H](C(=O)O)c1ccccc1 1681790 ALJWAWZTLYHUER-UNMCSNQZSA-N 355.478 3.561 0 40 FHAB Cc1noc(COC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)n1 23356805 KWNDFRTWDRPLFF-XBLGPDGASA-N 352.434 3.959 0 40 FHAB CC(=O)COC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 3408063 PKDAMAKWYNDPRO-UHFFFAOYSA-N 362.838 3.854 0 40 FHAB COCCCNc1nc(Nc2ccc(C)c(Cl)c2)c2cnn(C)c2n1 4374883 YZYVUQMFLYNIMU-UHFFFAOYSA-N 360.849 3.517 0 40 FHAB CCC1CCN(C(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)CC1 54612131 YFSDUJPZQBTAIY-UHFFFAOYSA-N 358.511 3.955 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1C 6270306 NWFUXLUCMRIPHX-UHFFFAOYSA-N 370.430 3.950 0 40 FHAB O=C(COC(=O)Cc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cn1 6930456 BVQYHJQLMJMBGU-UHFFFAOYSA-N 373.623 3.766 0 40 FHAB O=C(CCSCc1ccccc1)NCc1nc(-c2ccccc2)no1 7686043 OKIKPBFVBJVHFB-UHFFFAOYSA-N 353.447 3.676 0 40 FHAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCc4sccc4[C@H]3C)c12 24864618 MCQSFZLWHVEXHS-GFCCVEGCSA-N 366.490 3.975 0 40 FHAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1ccccc1F 9140582 XUHDHNTUJUTKNH-UHFFFAOYSA-N 359.209 3.965 0 40 FHAB CC(C)c1cc(C(=O)N2CCN(c3ccccc3F)CC2)nn1C(C)(C)C 44260763 DZJIFLUQUQWKRA-UHFFFAOYSA-N 372.488 3.863 0 40 FHAB Cc1noc([C@@H](C)N2CCN(Cc3ccc(-c4ccccc4)s3)CC2)n1 27268684 FGBYWZAKNCKQJW-OAHLLOKOSA-N 368.506 3.985 0 40 FHAB O=C(Nc1nc(CN2CCCCCC2)cs1)c1n[nH]c2ccccc12 12773790 DUGLTIDLQYSICN-UHFFFAOYSA-N 355.467 3.648 0 40 FHAB CCCCNC(=O)c1ccccc1NS(=O)(=O)c1cc(C)ccc1C 28836166 YQGCVTDMJFYVPD-UHFFFAOYSA-N 360.479 3.634 0 40 FHAB COCCn1cc(C(=O)NCCOc2cccc(Cl)c2)c2ccccc21 48302734 HJWJPIATRASURO-UHFFFAOYSA-N 372.852 3.750 0 40 FHAB CCN1C[C@H](CN(C)C(=O)c2cc3ccc(C)cc3[nH]2)Oc2ccccc21 48300339 LEFZYCDKNJTONB-KRWDZBQOSA-N 363.461 3.836 0 40 FHAB CCC(=O)Nc1ccc(C(=O)COC(=O)CCc2ccccc2F)cc1 21582719 SJYLZPYSCBTUNT-UHFFFAOYSA-N 357.381 3.533 0 40 FHAB Cc1cnc2c(S(=O)(=O)N3CCC[C@H]3Cc3ccccc3)cccc2c1 29383811 YIXVFSZZQBHGTO-IBGZPJMESA-N 366.486 3.939 0 40 FHAB CCOC(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(-c2ccccc2)o1 26771172 VJAYWXJAAWIAQT-UHFFFAOYSA-N 371.414 3.660 0 40 FHAB COc1cccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)c1 46086549 UWEOEUHRYQFKFQ-UHFFFAOYSA-N 354.362 3.620 0 40 FHAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)NCc1ccccc1F 46071882 NTJYWXZZJOICOT-XLIONFOSSA-N 353.441 3.652 0 40 FHAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)C1 29516442 KHGQENNAONECTH-QIBUPLRFSA-N 372.553 3.698 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 2644499 ZKEPORVIFDOTNR-KXBFYZLASA-N 361.445 3.694 0 40 FHAB Cc1cccc(NC(=O)CSCC(=O)N(C)[C@H]2CCc3ccccc32)c1 37149143 RITVDMJONOADLC-IBGZPJMESA-N 368.502 3.813 0 40 FHAB O=C1CSc2ccc(C(=O)Nc3nc4c(s3)CCCCC4)cc2N1 12827624 YDCCNUHPCCGDDL-UHFFFAOYSA-N 359.476 3.709 0 40 FHAB CCOc1ccc(C(C)=O)cc1CSc1nnc(C2CCCCC2)n1N 3452343 BXQKWNLJRMVCBL-UHFFFAOYSA-N 374.510 3.933 0 40 FHAB COc1ccc(-c2noc(-c3cc4cccc(C)c4oc3=O)n2)cc1OC 12945991 VWWNRGAYBNOFRR-UHFFFAOYSA-N 364.357 3.836 0 40 FHAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc2c(c1)OCC(=O)N2 13003002 ZXATYQPBNSVLHR-UHFFFAOYSA-N 365.216 3.597 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1 3991815 NLTBOJGHWVGERP-UHFFFAOYSA-N 372.490 3.668 0 40 FHAB Cc1nn(CCOC(=O)[C@@H]2C[C@@H]2c2ccccc2)c2c1[C@H]1[C@@H](C2)C1(C)C 4041233 GQZIZOKREDEUNO-WOCWXWTJSA-N 350.462 3.834 0 40 FHAB biogenic Cc1cccc(CNC(=O)COC(=O)c2ccc(Cl)cc2Cl)c1 72333805 QOPUXXVGDIGLAP-UHFFFAOYSA-N 352.217 3.775 0 40 FHAB O=C(Cc1ccc(Br)cc1)Nc1cc(Cl)ccc1C(=O)O 9225102 WSJVWWWWWBWHBI-UHFFFAOYSA-N 368.614 3.982 0 40 FHAB C[C@H](C(=O)Nc1ccc(Br)cc1F)N(C)Cc1ccco1 14016666 LOTNANCWIAHEOU-SNVBAGLBSA-N 355.207 3.640 0 40 FHAB COCCn1ccnc1[C@@H]1CN(Cc2cccs2)Cc2ccccc21 306123494 AOWKTXYAYJEAJL-LJQANCHMSA-N 353.491 3.739 0 40 FHAB CC(C)n1cnnc1S[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 5417297 BLYGNYCTXMPDHM-JTQLQIEISA-N 358.389 3.997 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1nonc1-c1ccc(OC)cc1 5450807 KWFRPMAECRVKCW-INIZCTEOSA-N 371.368 3.680 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 14426185 BUVCDSZKXYXAMM-CYBMUJFWSA-N 363.244 3.981 0 40 FHAB C[C@H](NC(=O)CCc1ccccc1Cl)c1ccc(-n2cncn2)cc1 9390049 SNVPSGRMJWBBOY-AWEZNQCLSA-N 354.841 3.731 0 40 FHAB Cc1ccccc1S(=O)(=O)Oc1ccccc1C(=O)Oc1ccccc1 4666858 ITGQQGDYLDLVAU-UHFFFAOYSA-N 368.410 3.982 0 40 FHAB O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCc2ccccc2C1 4746293 IUAONBMJEDCALY-FQEVSTJZSA-N 352.453 3.623 0 40 FHAB O=C(CSc1nc(-c2ccccc2)n[nH]1)N1CC[C@@H]2CCCC[C@H]2C1 9364414 FGVJIZVWLULNCH-HOCLYGCPSA-N 356.495 3.603 0 40 FHAB CC(=O)Nc1ccc(C(=O)[C@H](C)Oc2c(F)c(F)cc(F)c2F)cc1 9388531 OLKDRQBKDWFFLR-QMMMGPOBSA-N 355.287 3.852 0 40 FHAB Cc1cccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)c1 6942200 GCQIZUJPBFQVAR-UHFFFAOYSA-N 360.413 3.827 0 40 FHAB Cc1occc1-c1nnc(SCc2nc(-c3cccs3)no2)n1C 7217250 GZAMGCFHLGQHDV-UHFFFAOYSA-N 359.436 3.787 0 40 FHAB O=C(OCc1cc(-c2cccs2)on1)c1cc(=O)c2ccccc2o1 7549972 UGRMDIMZBLYGDH-UHFFFAOYSA-N 353.355 3.867 0 40 FHAB O=C(c1cc(Br)ccc1F)N1CCN(c2ccccc2)CC1 7609255 LFNPFSLLVQGJKD-UHFFFAOYSA-N 363.230 3.551 0 40 FHAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3ccc(F)cc3)o2)no1 7875058 WJGBVYUIPLPPTH-NSHDSACASA-N 358.325 3.566 0 40 FHAB CCOC(=O)C1=C(C)N(CC2CC2)C(=O)N[C@@H]1c1c(F)cccc1Cl 84792350 VMQVUPMHJRQOAW-INIZCTEOSA-N 366.820 3.793 0 40 FHAB Cc1ccc(C(=O)Nn2cnc3ccccc32)cc1NC(=O)c1ccco1 16490999 GLXRRKRNECBKAP-UHFFFAOYSA-N 360.373 3.574 0 40 FHAB CSc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(F)cc2F)c(C)n1 8095074 VIEOLNABRBRAOP-LBPRGKRZSA-N 365.449 3.904 0 40 FHAB CC(=O)c1ccc(O)c(NC(=O)c2cc(F)cc(Br)c2)c1 95465023 ZMWAILMUZIZRHX-UHFFFAOYSA-N 352.159 3.749 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)N2CC[C@H]3CCCC[C@H]3C2)o1 8277264 JTUPXXKTWOKBQP-KGLIPLIRSA-N 361.467 3.769 0 40 FHAB Cc1noc(C)c1COc1ccc(C(=O)NCCOc2ccccc2)cc1 8315671 BIWXRBQYNJITGY-UHFFFAOYSA-N 366.417 3.679 0 40 FHAB COc1ccc(C)cc1NC(=O)CNc1ccc(OC)c(OC(F)F)c1 23902495 ZADNEXGPWGSHLW-UHFFFAOYSA-N 366.364 3.664 0 40 FHAB COc1ccc(C(=O)CN(Cc2ccccc2)C2=NCCCS2)cc1 28527273 JTQZWLCBGYXTAF-UHFFFAOYSA-N 354.475 3.873 0 40 FHAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccn2C)c(OC)c1 8706966 UEISDZFEGDMIFK-FQEVSTJZSA-N 363.417 3.813 0 40 FHAB COc1cccc(OC)c1CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1 95964968 NEEDVTNOGQMZAG-UHFFFAOYSA-N 365.433 3.688 0 40 FHAB C[C@H](c1ccc(Cl)cc1Cl)N(C)CCn1c(=O)oc2cccnc21 89424448 LFGQCECFYSJBPM-LLVKDONJSA-N 366.248 3.989 0 40 FHAB CC(=O)c1cccc(NC(=O)N(C[C@@H](O)c2ccc(F)cc2)C2CC2)c1 76017610 GDOUOAGJAPNWJL-LJQANCHMSA-N 356.397 3.758 0 40 FHAB Cc1ccc(C)c(OC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1C 23402259 CIZLYPFFPRZTIX-UHFFFAOYSA-N 359.809 3.596 0 40 FHAB CCn1c(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)nc2ccccc21 28226479 WWOQAFLOIWAFOK-UHFFFAOYSA-N 369.812 3.800 0 40 FHAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)N4CCCCCC4)c3)C(=O)[C@@H]2C1 408679908 HJKHFMQGCCXYMR-RBUKOAKNSA-N 366.461 3.549 0 40 FHAB Cc1ccn2c(=O)cc(COc3cccc(NC(=O)CC(C)C)c3)nc2c1 33268609 WEDZYAXUNIHYOY-UHFFFAOYSA-N 365.433 3.567 0 40 FHAB O=C(Nc1cnc2ccccc2c1)N[C@@H](CN1CCCC1=O)c1ccccc1 62579950 VQPSPQWPLAUVQL-FQEVSTJZSA-N 374.444 3.720 0 40 FHAB COc1ccc(CN([C@@H](C)C2CC2)S(=O)(=O)c2cccs2)cc1 30336779 RYTUFADXKIZLBZ-ZDUSSCGKSA-N 351.493 3.746 0 40 FHAB Cc1noc2nc(C(C)C)cc(C(=O)Nc3nnc(CC(C)C)s3)c12 36356946 IQXWTGXIFSKRFP-UHFFFAOYSA-N 359.455 3.957 0 40 FHAB CCN1CCC(Oc2ncnc3c2c(C)c(C)n3Cc2ccccc2)CC1 72335988 DWKROYOWVLIMHL-UHFFFAOYSA-N 364.493 3.960 0 40 FHAB COc1ccc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)cc1Cl 560034338 MEIMHCXLVZPLSG-UHFFFAOYSA-N 373.815 3.646 0 40 FHAB Cc1ccc(-c2[nH]ncc2C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 72328966 GRJDPTBKOPCFJC-UHFFFAOYSA-N 374.488 3.780 0 40 FHAB Cc1cc(C)cc(NC(=S)NCc2ccccc2CN2CCOCC2)c1 38229616 SDDJBLHAORLGCA-UHFFFAOYSA-N 369.534 3.622 0 40 FHAB Cc1cc(N2CCOCC2)ncc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72219429 FTURTYIVCOTOHP-QGZVFWFLSA-N 361.486 3.689 0 40 FHAB CCSc1ccccc1C(=O)NCc1ccc(OC)c(OC)c1OC 219645207 QWPJRWTZSVGBSS-UHFFFAOYSA-N 361.463 3.754 0 40 FHAB Cc1ccc(C(=O)N2CCC[C@H](c3cncc(Oc4ccccc4)n3)C2)cn1 72384103 IVNORCQJTCYVPU-SFHVURJKSA-N 374.444 3.992 0 40 FHAB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1 223317658 ONXQFCFRDWLPHI-UHFFFAOYSA-N 373.217 3.537 0 40 FHAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1cccc2ccccc12 40162024 VZVXRBJVRKUMDX-NVXWUHKLSA-N 350.462 3.808 0 40 FHAB Cc1cc(SCC(=O)Nc2ccc(F)cc2)nc(-c2cccnc2)n1 49007068 BEPCOPLSBJMHGF-UHFFFAOYSA-N 354.410 3.717 0 40 FHAB CCOC(=O)C1(c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)CC1 222971401 NFOZEFUBXQXYNI-UHFFFAOYSA-N 373.836 3.952 0 40 FHAB C[C@H]1CCCN(C[C@@H](O)COCC(c2ccccc2)c2ccccc2)C1 226170674 XNXJVORMCRDQEW-SIKLNZKXSA-N 353.506 3.928 0 40 FHAB CCn1cccc1-c1noc(CNC(=O)c2cc3ccccc3s2)n1 225769176 ZDSRUCVUWYFERQ-UHFFFAOYSA-N 352.419 3.703 0 40 FHAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCOCC3)cc2)cc1C 223399342 WDNOOMZKOINEDD-LJQANCHMSA-N 366.505 3.935 0 40 FHAB O=C(CCCc1nc2ccccc2o1)NCCOc1ccccc1Cl 224950971 BBNNBZUPQFOKLV-UHFFFAOYSA-N 358.825 3.999 0 40 FHAB COc1ccccc1CN1C[C@H](OCc2nc3ccccc3o2)[C@H](F)C1 96112091 HYTBLUFIXTWEPB-BEFAXECRSA-N 356.397 3.576 0 40 FHAB biogenic,in-vitro Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](C)COc3ccccc3)cc2)n1 149733934 AEDXRDUGKZXIHI-QGZVFWFLSA-N 363.461 3.746 0 40 FHAB COc1ccc(N[C@H]2CO[C@@]3(CCN(Cc4ccc(F)cc4)C3)C2)cc1 96047626 VODNQTIRZLLDHJ-CTNGQTDRSA-N 356.441 3.680 0 40 FHAB COc1ccc(C[C@H]2CN(C(=O)c3ccc(F)cc3)CC[C@@H]2OC)cc1 96110558 AYNQCYZYZWBKKU-PXNSSMCTSA-N 357.425 3.554 0 40 FHAB Cc1cccc(COCC[C@H]2CCOC23CN(Cc2ccccc2F)C3)n1 247889652 UUECKFCQWYAFLI-IBGZPJMESA-N 370.468 3.727 0 40 FHAB CCCn1nccc1-c1cc(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)ncn1 257257661 KQPABUDKIOCKPU-INIZCTEOSA-N 369.513 3.577 0 40 FHAB CN(C)Cc1cc([C@@H]2CCCN2C(=O)C2CCC(F)(F)CC2)ccn1 257281845 ORFHSEBYDLBCNQ-KRWDZBQOSA-N 351.441 3.632 0 40 FHAB CC(=O)N[C@@H]1C[C@H](c2ccc(-n3ccnc3C)cc2)O[C@@H]2CCCC[C@@H]12 257270344 MTUYTZLPFMWSHC-DOIPELPJSA-N 353.466 3.706 0 40 FHAB COc1ccccc1CC(=O)N1CCCC[C@@H]1c1ncn2ccsc12 257214759 CNIGMICSXCMFTN-OAHLLOKOSA-N 355.463 3.701 0 40 FHAB O=C(CSc1ccccc1F)NC[C@@H](c1ccco1)N1CCCCC1 26407733 DBYXXPCUKBTJRG-INIZCTEOSA-N 362.470 3.854 0 40 FHAB O=C(c1ccc(-c2ccccc2)s1)N1CCOC[C@@H]1C[C@H]1CCCO1 1611547597 NSTPXJRSERFHTK-DLBZAZTESA-N 357.475 3.825 0 40 FHAB Cc1cccc(C(=O)N[C@H](C)C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)c1 608553469 MXOYFCSPTQCOCQ-JZXOWHBKSA-N 354.450 3.706 0 40 FHAB CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)c1ccc2n[nH]cc2c1 1651135365 RMSQNJHVGDQBKV-FQEVSTJZSA-N 362.477 3.690 0 40 FHAB C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(-n2cccn2)nc1 606552402 BAYGUZHFVADHGJ-ZDUSSCGKSA-N 351.385 3.558 0 40 FHAB O=C(CC1CCC2(CC1)CCN(C(=O)C1CC(F)C1)CC2)N1CCCC1 585101508 ICMMPIHWSDIUFM-UHFFFAOYSA-N 364.505 3.546 0 40 FHAB C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(Oc2cnccn2)cc1 58356379 XPRUJONMSZWYDR-MAUKXSAKSA-N 370.453 3.986 0 40 FHAB O=C(OCc1nc(-c2ccsc2)no1)c1cc(F)c(F)c(F)c1F 61351417 WJISQZARAYNSIL-UHFFFAOYSA-N 358.272 3.712 0 40 FHAB CCc1nnsc1C(=O)Nc1nc(C)c(Cc2ccccc2F)s1 55579973 MLAUGMFHTSGWLS-UHFFFAOYSA-N 362.455 3.848 0 40 FHAB O=S(=O)(c1cc(Cl)sc1Cl)N1CCC[C@@H]1c1ccncc1 38638114 CENUNWJRHAHOCT-SNVBAGLBSA-N 363.291 3.976 0 40 FHAB Cn1cccc1CN1CC(O)=C(c2nc(-c3ccccc3)cs2)C1=N 1547206033 LLSNFYXUUCVHRP-UHFFFAOYSA-N 350.447 3.911 0 40 FHAB O=C(CNC(=O)OCc1ccccc1)Nc1nc(-c2ccccc2)cs1 5603314 FJBFNXIKNGRHQF-UHFFFAOYSA-N 367.430 3.675 0 40 FHAB O=C(N[C@H]1C=Nc2ccccc2NC1=O)C(c1ccccc1)c1ccccc1 5722860 LHYQKIKOSPTFDN-FQEVSTJZSA-N 369.424 3.658 0 40 FHAB Cc1[nH]c2ccc(C(=O)OCC(=O)N3CC[C@H]4CCCC[C@H]4C3)cc2c1C 12590346 XAXYFEWMZFDJEM-AEFFLSMTSA-N 368.477 3.980 0 40 FHAB COc1ccccc1N1C[C@@H](C(=O)Nc2cccc(C(C)C)c2)CC1=O 12780701 SRNGMIXYXUURNV-INIZCTEOSA-N 352.434 3.810 0 40 FHAB Cc1cc(C)cc(C(=O)NCC(=O)Nc2nc(-c3cccs3)cs2)c1 12902740 UNNOOIACTSQAAK-UHFFFAOYSA-N 371.487 3.857 0 40 FHAB O=C(c1ccccc1)c1ccccc1NC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O 17074732 FCYHIISRWIABQG-QXGSTGNESA-N 363.413 3.603 0 40 FHAB CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C(=O)C(C)(C)C 19017427 SHFTZTJKSQEFGB-ZCNNSNEGSA-N 374.500 3.957 0 40 FHAB Cc1ccn2cc(C(=O)N3CCC[C@H](COc4ccccc4F)C3)nc2c1 19238166 MTBVFWSLSDKJIC-INIZCTEOSA-N 367.424 3.713 0 40 FHAB CC(C)c1cc(C(=O)NCc2ccc(F)c(CO)c2)nn1-c1ccccc1 157461817 ZKSGJVJWPOWVBU-UHFFFAOYSA-N 367.424 3.557 0 40 FHAB Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1C1CCCC1 8334222 DBFCQUHAFZAHCZ-PDGQHHTCSA-N 369.465 3.624 0 40 FHAB O=C1NCCN(Cc2ccccc2)C[C@H]1Cc1ccccc1-c1cccnc1 19372253 AXYJSKFNALUBRJ-JOCHJYFZSA-N 371.484 3.539 0 40 FHAB CC[C@@H](C)[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)C(=O)OC 8987881 DFYIURJXERYZEU-BEFAXECRSA-N 355.434 3.583 0 40 FHAB COCc1ccc(C(=O)N2CCC[C@@](COc3ccccc3)(OC)C2)cc1 2037909303 PLXSAZRRHKFBBD-JOCHJYFZSA-N 369.461 3.533 0 40 FHAB CO[C@@]1(COc2ccccc2)CCCN(C(=O)CCc2ccccc2F)C1 2037909306 PXZYRAQIHGPODG-QFIPXVFZSA-N 371.452 3.845 0 40 FHAB COc1cc(CCC(=O)N2c3ccccc3C[C@@H]2C)cc(OC)c1OC 36739787 VBXMUMMUBBCMQL-AWEZNQCLSA-N 355.434 3.623 0 40 FHAB COc1cccc(CNc2cnn(Cc3ccccc3)c(=O)c2Cl)c1 40160645 IJGCVARGDMHKGF-UHFFFAOYSA-N 355.825 3.566 0 40 FHAB CC[C@@H](C)[C@@H](N)C(=O)Oc1ccc2c(=O)c(Oc3ccccc3)coc2c1 20111184 OWHLPMCKCJULPG-BFUOFWGJSA-N 367.401 3.864 0 40 FHAB biogenic CN1C(=O)C[C@@H](C(=O)Nc2cccc(Br)c2)[C@@H]1c1ccccc1 20427355 VNJSPWKDWNKUKR-WBVHZDCISA-N 373.250 3.607 0 40 FHAB Cc1cc(C)nc(SCc2ccc(C(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)o2)n1 101407827 OPSQNQOLEHMVQV-HRCADAONSA-N 369.490 3.921 0 40 FHAB CCOc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@]3(C)CC)cc1 102112374 PPQUVYBKYFGHOU-NRFANRHFSA-N 362.433 3.879 0 40 FHAB O=C(Nc1nc2ccccc2[nH]1)c1ccc(Cl)c(N2CCCC2=O)c1 32743625 RJLNDGIJMQRCBL-UHFFFAOYSA-N 354.797 3.595 0 40 FHAB C[C@@H](Sc1ccc(C(=O)N2CCCC2)cn1)C(=O)c1ccc(F)cc1 32789454 UONWYIQMFDYVFA-CYBMUJFWSA-N 358.438 3.820 0 40 FHAB Cc1cccc2c1N(C(=O)[C@@H]1CCCN(C(=O)c3cccs3)C1)CCC2 102955483 GIMWIMCJPQPANO-QGZVFWFLSA-N 368.502 3.888 0 40 FHAB COc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(NC(C)(C)C)n1 718808 FAKCLBMWGKVIIG-UHFFFAOYSA-N 357.336 3.733 0 40 FHAB COc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)ccc1O 2091110 CEQARSOFZVXYPY-IBGZPJMESA-N 350.374 3.761 0 40 FHAB biogenic O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1F)C2(c1ccccc1)c1ccccc1 2175299 CNPVNARTQLVODB-PMACEKPBSA-N 357.384 3.931 0 40 FHAB CC1(C)CC(=O)C(C)(CC(=O)c2ccc(Br)cc2)C(=O)C1 2504500 YWXNOQWTBCLXIG-UHFFFAOYSA-N 351.240 3.986 0 40 FHAB CCOC(=O)N[C@H](C(Cl)(Cl)Cl)P(=O)(OCC)OCC 3012944 PWSSTCDJGVSMCG-ZETCQYMHSA-N 356.570 3.695 0 40 FHAB CCN(CC)C1=N[P@](=O)(c2ccccc2)NC(c2ccccc2)=C1C#N 3188701 REZWIBUIMOVLHH-SANMLTNESA-N 364.389 3.783 0 40 FHAB O=C(COc1ccc2ccccc2c1)NC[C@@H](c1ccco1)N1CCCC1 3324616 LYQOBJVZSKNJTL-FQEVSTJZSA-N 364.445 3.765 0 40 FHAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc(Cl)c1 3385932 FNTMLSQKDRKBOZ-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB Cc1cccc(OC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)c2)c1 4544935 NSPZQBGWTQVWKW-LOHFZDIYSA-N 373.408 3.526 0 40 FHAB COc1cccc(-c2nc(CCNC(=O)/C=C/c3ccco3)cs2)c1 5451964 XMQXEFBREYXFGE-BQYQJAHWSA-N 354.431 3.784 0 40 FHAB O=C(COc1ccc(Br)cc1F)N1CCc2ccccc2C1 5455365 JQHSGGIFKYDTOY-UHFFFAOYSA-N 364.214 3.552 0 40 FHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@H](C)c1ccccc1Cl 6005687 WBAUCHVLVNRBSH-GFCCVEGCSA-N 352.839 3.970 0 40 FHAB Cc1cc(F)ccc1NC(=O)c1ccc(I)cc1 6460470 VEEUWNUBZKOEMD-UHFFFAOYSA-N 355.150 3.991 0 40 FHAB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2cccc3ccccc23)C1=O 6948587 BNBXJOSWKYBKTP-ATVHPVEESA-N 368.458 3.745 0 40 FHAB O=C1c2ccccc2C(=O)N1CCN(Cc1ccco1)Cc1cccs1 7291897 VULCANOCJKLGLV-UHFFFAOYSA-N 366.442 3.640 0 40 FHAB Cc1noc(C)c1CC(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 7986910 XZMQPDOVPDDTKY-AWEZNQCLSA-N 371.462 3.656 0 40 FHAB CC(C)CNC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C1CC1 8255875 VBVYEMLADYGKGR-LLVKDONJSA-N 350.513 3.594 0 40 FHAB COc1ccc(CNC(=O)c2ccc(OCc3cscn3)cc2)cc1 8272522 NANPEBQLZUZLIH-UHFFFAOYSA-N 354.431 3.661 0 40 FHAB NC(=O)c1cccc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1 8326606 JKCVSHCXROSQLF-UHFFFAOYSA-N 357.822 3.815 0 40 FHAB COc1ccc(NC(=O)CSCc2cc(=O)c3cc(C)ccc3[nH]2)cc1 8617278 WFHMRGXBIORJDU-UHFFFAOYSA-N 368.458 3.717 0 40 FHAB Cc1csc(-c2nonc2NC(=O)c2ccc(C(F)(F)F)cc2)n1 9156209 YDZAIFZBHYFNBP-UHFFFAOYSA-N 354.313 3.773 0 40 FHAB CCN(CC(=O)NC(C)(C)C)C(=O)c1oc2ccc(Cl)cc2c1C 9494526 NGUYASWZICQWJQ-UHFFFAOYSA-N 350.846 3.771 0 40 FHAB CC(=O)c1ccc(NC(=O)Cn2c(-c3nnc(C)o3)cc3ccccc32)cc1 9573830 VWVQVLUIKXJWEJ-UHFFFAOYSA-N 374.400 3.841 0 40 FHAB O=S1(=O)N=C(NCc2ccc(-c3ccc(Cl)cc3)o2)c2ccccc21 9975947 SAZJBMRKLNKDRB-UHFFFAOYSA-N 372.833 3.839 0 40 FHAB O=C(O)c1ccc(S(=O)(=O)Nc2ccccc2-c2cccs2)cc1 10512317 CLNRQVMOIPMKSV-UHFFFAOYSA-N 359.428 3.914 0 40 FHAB COC(=O)c1c(NC(=O)CSCc2ccccc2)sc2c1CCC2 10591421 WYRWAUSKURDQGE-UHFFFAOYSA-N 361.488 3.895 0 40 FHAB O=C(NCCc1cn2ccccc2n1)c1ccc2[nH]c3c(c2c1)CCCC3 11534427 MXSJEUBBGLVGBT-UHFFFAOYSA-N 358.445 3.667 0 40 FHAB COc1cccc(-c2cc(CC(=O)Nc3ccc(OC)cc3OC)no2)c1 11693186 KRFJWDCSLUTPDB-UHFFFAOYSA-N 368.389 3.549 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)cc1 11914569 LZYMLRJYXCVICV-UHFFFAOYSA-N 365.385 3.839 0 40 FHAB Cc1ccccc1OCC(=O)Nc1nonc1-c1ccc(OC(C)C)cc1 12111472 UUMYRZXIHYWRNV-UHFFFAOYSA-N 367.405 3.850 0 40 FHAB COc1cc(-c2nc3cnccn3c2NCc2cccs2)ccc1O 12113771 MLCDVEDVNPTSLK-UHFFFAOYSA-N 352.419 3.784 0 40 FHAB COc1cccc(-c2cc(C(F)(F)F)c3c(C)nn(CC(=O)O)c3n2)c1 12395250 AZLGQIQDIHBSLI-UHFFFAOYSA-N 365.311 3.519 0 40 FHAB CC(=O)c1sc(NC(=O)c2cn3ccccc3n2)nc1-c1ccccc1 12525431 BZDARADALBUJQA-UHFFFAOYSA-N 362.414 3.913 0 40 FHAB COC(=O)c1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2C)cc1 12556396 CFKZKQWQFAGPEQ-UHFFFAOYSA-N 368.458 3.938 0 40 FHAB CC(=O)Nc1ccc2nc(NC(=O)COc3cc(C)cc(C)c3)sc2c1 12655477 BVERNTJBDUWKSC-UHFFFAOYSA-N 369.446 3.889 0 40 FHAB CN(C[C@@H](O)COc1ccc(C(=O)c2ccccc2)cc1)C1CCCC1 12783137 MERKDHPZGMIWHP-HXUWFJFHSA-N 353.462 3.532 0 40 FHAB COc1cc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc(OC)c1OC 12867583 NVPSDTNNYOXHGN-LBPRGKRZSA-N 355.390 3.950 0 40 FHAB COc1ncccc1C(=O)N1CCc2sccc2[C@H]1c1ccccc1 12925974 FFTQASGFKDVRBG-GOSISDBHSA-N 350.443 3.940 0 40 FHAB COc1ccc(NC(=O)CCCC(=O)c2cccs2)cc1NC(C)=O 13015008 NPOHHELYUVXEBR-UHFFFAOYSA-N 360.435 3.707 0 40 FHAB O=C(O)C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1cccs1 13389278 QQQROZOXSOFKDQ-LBPRGKRZSA-N 357.353 3.642 0 40 FHAB CCc1cccc(C)c1NC(=O)[C@@H](CC)N(c1ccccc1)S(C)(=O)=O 13711456 TWKUCHBCKADBGV-GOSISDBHSA-N 374.506 3.741 0 40 FHAB CCCOc1ccccc1NC(=O)c1ccc(CN2CCOCC2)cc1 14199016 JBMDRTMPOBAMHR-UHFFFAOYSA-N 354.450 3.560 0 40 FHAB CCN(CC)C(=O)c1cccc(NC(=O)c2cc3c(C)nn(C)c3s2)c1 14241201 AZXIZPLLQYOLGV-UHFFFAOYSA-N 370.478 3.678 0 40 FHAB O=C(NCCc1ccc(-n2cccn2)cc1)NCc1ccc(Cl)cc1 14813753 KNTVYQOOAUAPER-UHFFFAOYSA-N 354.841 3.568 0 40 FHAB CCCCOc1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1OCC 15575304 QQARHQSOSGBDLX-UHFFFAOYSA-N 369.421 3.686 0 40 FHAB CCCSc1ncc(Cl)c(C(=O)Nc2ccc(NC(C)=O)cc2)n1 16749829 RUWSZHOKQCTVPN-UHFFFAOYSA-N 364.858 3.843 0 40 FHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc2ccccc2s1 18072299 LWFAMXPKXCYNPB-UHFFFAOYSA-N 370.449 3.819 0 40 FHAB CCCN1CCC(C[C@@H]2CC(c3ccccc3C)=NO2)(C(=O)OCC)CC1 19502605 FHDIGGKYNQPFLX-SFHVURJKSA-N 372.509 3.933 0 40 FHAB CCC(=O)N1CCC([C@]2(C)CCCCN(CCc3ccccc3)C2=O)CC1 19744969 QSMGDTIHXXRUGP-QHCPKHFHSA-N 370.537 3.897 0 40 FHAB COc1c(Cl)cc(C(=O)Nc2cc(C)c(O)c(C(=O)O)c2)cc1Cl 20142544 ZDXLUNLRRWYWRB-UHFFFAOYSA-N 370.188 3.967 0 40 FHAB COc1ccccc1-c1nnc(S[C@H]2CCc3ccccc3NC2=O)o1 20721460 VQGCIDBJVNEFMG-INIZCTEOSA-N 367.430 3.791 0 40 FHAB Cc1cc(C)c(C(=O)COC(=O)c2ccc3c(c2)OCCCO3)cc1C 21416931 FAKLYRAHHGPJPT-UHFFFAOYSA-N 354.402 3.813 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCCC[C@H]3C)c2)cc1 23043465 GZQRMOPIUXGWAX-MRXNPFEDSA-N 372.490 3.810 0 40 FHAB O=C(Nc1nn(Cc2ccc(F)cc2)cc1Br)C1CCCC1 27916985 XLNKKLXWGKPQIY-UHFFFAOYSA-N 366.234 3.962 0 40 FHAB O[C@H](CN1CCCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1 28264445 JGUKPLVOUZYGOC-HXUWFJFHSA-N 362.876 3.720 0 40 FHAB O=C(c1ccc(Br)s1)N1CCO[C@@H](c2ccc(F)cc2)C1 29113018 AOLHBGUWAUTCPY-GFCCVEGCSA-N 370.243 3.863 0 40 FHAB Cc1ccccc1[C@H](C)NC(=O)NCc1ccccc1CN1CCCC1=O 32795631 AKKYCODIGWKRHV-KRWDZBQOSA-N 365.477 3.678 0 40 FHAB CCC(CC)c1nnc(NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)s1 32808630 LSTCASGQONXOKW-UHFFFAOYSA-N 374.445 3.722 0 40 FHAB COC(=O)c1cc(NC(=O)CCOc2cccc(Cl)c2)ccc1F 33164865 MENADPOPYVLHIK-UHFFFAOYSA-N 351.761 3.673 0 40 FHAB Cc1ccc(-c2nnn([C@@H](C)C(=O)c3ccc(Br)cc3)n2)cc1 35264558 QLHBWDKUFHHMEE-LBPRGKRZSA-N 371.238 3.855 0 40 FHAB O=C(NCCCN1CCO[C@@H](c2ccccc2)C1)c1ccccc1Cl 36699973 WQRUUPDSAZWJOL-LJQANCHMSA-N 358.869 3.533 0 40 FHAB COc1cc(CCC(=O)N2c3ccccc3C[C@H]2C)cc(OC)c1OC 36739786 VBXMUMMUBBCMQL-CQSZACIVSA-N 355.434 3.623 0 40 FHAB CCc1ccc(CN(C)C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 40096196 YYUKCOMWBZOFKN-UHFFFAOYSA-N 358.438 3.939 0 40 FHAB COc1cc(CNC(=O)[C@H]2CC=CCC2)ccc1OCc1ccncc1 40121669 UFKZIFZSXPUUHE-SFHVURJKSA-N 352.434 3.642 0 40 FHAB Cc1nn(CC(=O)N[C@H](C)c2cccc(Cl)c2)c(C)c1Br 40152578 IVCPEOPRWBMOGF-SECBINFHSA-N 370.678 3.793 0 40 FHAB COc1ccc(CCC(=O)Nc2nc(-c3ccccc3)ns2)cc1F 42090685 RZMHUZUVVKFLQX-UHFFFAOYSA-N 357.410 3.924 0 40 FHAB O[C@@H](CO[C@@H]1CCCc2ccccc21)Cn1cnc2cc(F)c(F)cc21 43646439 IFFIYJABSKZSLA-JLTOFOAXSA-N 358.388 3.770 0 40 FHAB Cc1nn(C)c2sc(C(=O)Nc3nc4c(s3)C(=O)CC(C)(C)C4)cc12 44742741 LDSITEUPXACTJP-UHFFFAOYSA-N 374.491 3.807 0 40 FHAB C[C@H]1Oc2ccc(NC(=O)C3(c4ccc(F)cc4)CCC3)cc2NC1=O 45853336 NEVQVLNCXQXQRC-GFCCVEGCSA-N 354.381 3.606 0 40 FHAB COc1ccc(CN(C)C(=O)Nc2ccccc2-n2cccn2)cc1OC 48152531 AVCIADHNHLKVRE-UHFFFAOYSA-N 366.421 3.553 0 40 FHAB Cc1ccccc1-n1nc(C)c(CN(C)Cc2noc(C3CC3)n2)c1C 55055534 DSKJEBWPLNDNTE-UHFFFAOYSA-N 351.454 3.690 0 40 FHAB C[C@@H](Nc1cccc(CN2CCOC2=O)c1)C(=O)Nc1ccccc1Cl 56160935 BGRMIMDOZMMZEI-CYBMUJFWSA-N 373.840 3.731 0 40 FHAB CN(CC(=O)NC(=O)NC1CCCCC1)Cc1cccc(Cl)c1Cl 57381128 ZTZIZRAORYGGDY-UHFFFAOYSA-N 372.296 3.584 0 40 FHAB CCc1cc(=O)n(CC(=O)Nc2cccc(C)c2C)c(-c2ccccc2)n1 57527336 XZZPOCOYXUMHKI-UHFFFAOYSA-N 361.445 3.728 0 40 FHAB Cc1ccc(-c2noc(COc3cc(Cl)ccc3C(N)=O)n2)cc1F 58366050 DDHCPGBJIUIISM-UHFFFAOYSA-N 361.760 3.515 0 40 FHAB CCn1c([C@@H]2CCCN2C(=O)CCOCC(F)(F)F)nc2ccccc21 60353083 QBFZJWKUJKXPDJ-HNNXBMFYSA-N 369.387 3.689 0 40 FHAB CCc1nnc2ccc(NCC3(c4cccc(Cl)c4)CCOCC3)nn12 68670047 JQCKUGWBGFBARH-UHFFFAOYSA-N 371.872 3.500 0 40 FHAB CCCCS(=O)(=O)NCc1ccc(-c2ccc(Br)cc2)o1 69696976 UEQILALZTCLTRQ-UHFFFAOYSA-N 372.284 3.929 0 40 FHAB O=C(Nc1cccc(-c2cnco2)c1)[C@H]1CCCN1C(=O)C1CCCCC1 70007181 BHZFJIONAPVVRD-GOSISDBHSA-N 367.449 3.851 0 40 FHAB O=C(Nc1cc(Cl)ccc1Cl)C1CN(C(=O)c2cccs2)C1 70809907 NRKMJVHJAWPAFA-UHFFFAOYSA-N 355.246 3.766 0 40 FHAB O=C(c1ccco1)N1N=C(c2ccc[nH]2)C[C@@H]1c1cccc2nccnc12 75149052 RORUBPPDHMDTBW-QGZVFWFLSA-N 357.373 3.542 0 40 FHAB O=C(CCCOc1ccccc1)N1C[C@H](n2cccn2)Cc2ccccc21 76067003 RTARMVPPWLJAPG-LJQANCHMSA-N 361.445 3.873 0 40 FHAB Cc1sc(C(N)=O)cc1NS(=O)(=O)c1ccc(CCC(C)C)cc1 79105846 CYZRVCCWYQHKMY-UHFFFAOYSA-N 366.508 3.545 0 40 FHAB O=C(Nc1ccccc1OC(F)(F)F)c1ccc2nnc(C(F)F)n2c1 79106489 VSKVWCKJPXBMJY-UHFFFAOYSA-N 372.253 3.818 0 40 FHAB O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1cc(Cl)sc1Cl 84432654 VADRHKKIVAVJHQ-NSHDSACASA-N 373.261 3.569 0 40 FHAB CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)NC1CCCCCCC1 95478753 VIHMYQZBLQLVQG-KRWDZBQOSA-N 364.559 3.856 0 40 FHAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc3oc(=O)n(C)c3c2)c1 95959448 SEOOKYYYLRCLMW-CQSZACIVSA-N 368.433 3.969 0 40 FHAB O=S(=O)(NCC[C@H](O)c1cc2ccccc2o1)c1ccc(Cl)s1 96097286 LPJFBCYRZNDHAY-NSHDSACASA-N 371.867 3.550 0 40 FHAB Cc1ccc(CN2CCC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)s1 96107297 UFPNMIIHRQTJHZ-QUCCMNQESA-N 358.507 3.792 0 40 FHAB O=C(NC[C@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1)c1ccccc1 96112904 OGHCCECAEQIGGH-KRWDZBQOSA-N 367.836 3.532 0 40 FHAB biogenic,in-vitro CCC(=O)N1CCC2(CC1)C[C@H](CC(=O)N(CC)CC)c1ccccc12 96242349 DOCWQUCUOXMFGX-KRWDZBQOSA-N 356.510 3.703 0 40 FHAB COc1ccc(CN2[C@H]3CC[C@H]2CC(NC(=O)c2cccc(F)c2)C3)cc1 100423541 IEQRSGUEQUJCKC-PMACEKPBSA-N 368.452 3.760 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1F 103716205 ZDDCDGMRAPJPJQ-OAHLLOKOSA-N 370.424 3.913 0 40 FHAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)N[C@H](C)CN1CCC[C@H](C)C1 106138600 AUWGKOZUFQIUDX-YQVWRLOYSA-N 358.526 3.742 0 40 FHAB COc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(OC)c1 222562361 QLKRUNSLKXAZMQ-JBBXEZCESA-N 355.463 3.688 0 40 FHAB CC(C)C(NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)C(C)C 223918270 CITHDEKPJQBMKN-UHFFFAOYSA-N 374.506 3.898 0 40 FHAB CCOc1ccc(S(=O)(=O)N(C)c2ccc(C(F)(F)F)cc2)cc1 224601264 ZFWUVHVIADGFLD-UHFFFAOYSA-N 359.369 3.929 0 40 FHAB O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)[C@@H]1CC=CCC1 225756152 JMOMXMAQYUEHFG-CQSZACIVSA-N 356.495 3.580 0 40 FHAB Cc1nccc(C(=O)N2CCC[C@@H](Cc3ccc4cnccc4c3)CC2)n1 257274304 NKKUIIBHVIQZOR-QGZVFWFLSA-N 360.461 3.818 0 40 FHAB Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)C3CCCC3)CC2)on1 257278941 OEIFUECYRQYLGI-WKILWMFISA-N 370.497 3.964 0 40 FHAB Cc1cnc(-c2nnc([C@@H]3CCCCN3Cc3ccccc3F)o2)cn1 257302573 SDLKQHYGLAJZTK-KRWDZBQOSA-N 353.401 3.701 0 40 FHAB Cc1cc(C(=O)N2CCC[C@@H](c3ccnc(Nc4ccccn4)c3)C2)no1 257322807 WHLVGBOPIJEKHV-MRXNPFEDSA-N 363.421 3.536 0 40 FHAB CN(C(=O)c1nc2cccnc2s1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 278692976 PIVJFNIYPNVARD-HOCLYGCPSA-N 371.437 3.823 0 40 FHAB CCN1C(=O)S/C(=C/c2cc(Cl)cc(Br)c2O)C1=O 409091935 VZAODPOIWJYKHH-RUDMXATFSA-N 362.632 3.864 0 40 FHAB COC(=O)CCCC(=O)c1ccc(Br)cc1C(F)(F)F 575362541 WNEILHBKIBVHDA-UHFFFAOYSA-N 353.134 3.994 0 40 FHAB Cc1cccc(CNC(=O)N2CCC(Cc3cccc(F)c3F)CC2)n1 580285895 FAAZFLQMCXXFNO-UHFFFAOYSA-N 359.420 3.833 0 40 FHAB CCN1CCN(C(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)[C@@H](C)C1 585082381 LBXIBJANHFRUIY-NSHDSACASA-N 365.449 3.563 0 40 FHAB O=S1(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccccc2N1C1CC1 585147786 IASIMUQGWNBWDQ-UHFFFAOYSA-N 368.380 3.939 0 40 FHAB COc1cccc2c1CN(C(=O)N[C@H](C)[C@@H]1Oc3ccccc3[C@@H]1C)C2 623702751 GWMYMLPTPYNLHT-LRDNONRASA-N 352.434 3.674 0 40 FHAB C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cncc(N3CCCC3=O)c2)C1 625872074 JOEXTODBWZVXJW-KUHUBIRLSA-N 367.424 3.571 0 40 FHAB CCn1nc(C)c(CN(C)c2cc(-c3ccccc3)nc3ccnn23)c1C 1163861881 XBVQLBBTBVYBEJ-UHFFFAOYSA-N 360.465 3.866 0 40 FHAB O=C(N[C@H](c1cccs1)C1CCOCC1)c1cccc(-n2cccn2)c1 1565523372 MIOPUWLDBFPXSZ-IBGZPJMESA-N 367.474 3.832 0 40 FHAB CC(C)CNC(=O)N1CCC(COc2cccc(C(F)(F)F)n2)CC1 1775995586 AOZSGNHQIPMERB-UHFFFAOYSA-N 359.392 3.557 0 40 FHAB CC(C)(C)c1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(F)(F)F)nn1 1776009748 PDIWDTMHXIUNPI-FUNVUKJBSA-N 358.408 3.613 0 40 FHAB CC(C)c1ccc(-c2nonc2NC(=O)[C@H]2COc3ccccc3O2)cc1 12409560 OEWWSCORRZMOMJ-QGZVFWFLSA-N 365.389 3.639 0 40 FHAB COc1ncccc1CNC(=O)Nc1cccc(COCc2ccco2)c1 47603408 QFWLHSMNDMEYAS-UHFFFAOYSA-N 367.405 3.722 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2cccs2)o1 780977 CIGZPZCWRJUUIM-LLVKDONJSA-N 357.460 3.868 0 40 FHAB Cc1c(OC(C)C)sc2ncn([C@H](C)C(=O)c3ccccc3)c(=O)c12 938796 IEEOHUFZBXZTIH-CYBMUJFWSA-N 356.447 3.998 0 40 FHAB COc1ccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)cc1 812062 CQMQKUUFUUXQJV-UHFFFAOYSA-N 366.373 3.801 0 40 FHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)OC1CCCCC1 1703540 UJROIYFANJKFTF-UHFFFAOYSA-N 366.483 3.742 0 40 FHAB CCc1c(C(=O)NCCCN2CCC(C)CC2)cnn1-c1ccc(C)cc1 23109860 ICROUIMAPFXJMG-UHFFFAOYSA-N 368.525 3.595 0 40 FHAB Nc1c(C(=O)NCCc2ccccc2)sc(=S)n1-c1ccccc1 3632834 YSMHUBJECGIOSH-UHFFFAOYSA-N 355.488 3.823 0 40 FHAB CCCOc1ccc(N2C(=O)C[C@H](Nc3cccc(Cl)c3)C2=O)cc1 4904765 XBPCZUOCBOTDCX-KRWDZBQOSA-N 358.825 3.873 0 40 FHAB CCN1C(=O)S/C(=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)C1=O 6950826 NKRSWAVZAWFGGP-WJDWOHSUSA-N 369.446 3.545 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)Cc1c(F)cccc1Cl 7107914 DIYCRPYZHMSAGV-HWWQOWPSSA-N 355.837 3.648 0 40 FHAB COc1ccc(S[C@@H](C)C(=O)NCc2ccc(OC)c(OC)c2)cc1 7935377 LBOCDFIDWQPWIV-ZDUSSCGKSA-N 361.463 3.509 0 40 FHAB CC(C)[C@@H]1CN([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CCS1 106920729 KKEYQULHXLGGRT-VBQJREDUSA-N 354.947 3.979 0 40 FHAB CC(=O)c1ccccc1NC(=O)CNc1cc(NC(=O)C2CC2)ccc1C 55849628 QKYZJRJVOJAAOW-UHFFFAOYSA-N 365.433 3.597 0 40 FHAB CC(=O)Nc1cccc(NC(=O)NCc2ccc(C(F)(F)F)cc2)c1 43655970 TWLQHOPFOHHGIP-UHFFFAOYSA-N 351.328 3.986 0 40 FHAB Cc1cccc(OCC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)c1 3288827 SMXXCVXWAFAIMT-UHFFFAOYSA-N 366.442 3.840 0 40 FHAB COc1ccccc1S(=O)(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 57120388 BOMWICMYNUTMRA-UHFFFAOYSA-N 358.419 3.768 0 40 FHAB C[C@H]1COCCN1C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 57144090 OHCJWZNZHOSGNO-LRDDRELGSA-N 367.287 3.721 0 40 FHAB Cc1nc(C)c(C(=O)Nc2ccccc2C(=O)NCc2ccco2)s1 27324963 QANHIRNHHOIUJZ-UHFFFAOYSA-N 355.419 3.535 0 40 FHAB C[C@H]1CCCCN1Cc1ccc(CNC(=O)c2cccc3cn[nH]c23)cc1 48252260 CYTFFFZYZJFQCB-INIZCTEOSA-N 362.477 3.867 0 40 FHAB COc1ccc(OCCNC(=O)c2ccc(OC)c3ccccc23)cc1 10291796 RTCJVPPQYPRBMW-UHFFFAOYSA-N 351.402 3.666 0 40 FHAB CCCOc1cc(C)c(Cl)cc1S(=O)(=O)NCCc1ccccc1 36638929 AGELLYPPZQXFCN-UHFFFAOYSA-N 367.898 3.958 0 40 FHAB Cc1cccc(OCCSc2nnc(-c3ccc4c(c3)OCO4)o2)c1 3329590 DDRKNMQENVDSEW-UHFFFAOYSA-N 356.403 3.945 0 40 FHAB CCCC(=O)N1CCCN(Cn2cc(-c3ccccc3)n(C)c2=S)CC1 48367159 FMWAXRVGAZYOGZ-UHFFFAOYSA-N 372.538 3.515 0 40 FHAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc2c(O)[nH]c(=S)nc2c1 48342677 NAVZQEWPDRAPID-OAHLLOKOSA-N 351.431 3.805 0 40 FHAB COc1ccc(-c2cnc(CCC(=O)Nc3cccc(OC)c3)o2)cc1 109417191 KCVYAJXDQZMGIS-UHFFFAOYSA-N 352.390 3.930 0 40 FHAB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3=C(C)C)[C@H]2C1=O 100844262 QUGHVESQNBDHPS-IQGAEYHTSA-N 365.429 3.546 0 40 FHAB C[C@@H]1CN(Cc2ccccc2CNC(=O)c2ccccc2Cl)C[C@@H](C)O1 48345455 IKOAIRPEYLYASV-HZPDHXFCSA-N 372.896 3.879 0 40 FHAB O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 103041006 AMDORTJEUIHAAZ-RBSFLKMASA-N 367.415 3.575 0 40 FHAB COc1ccc(NC(=O)[C@H]2CCCN2Cc2ncc(C(C)(C)C)o2)cc1 52715159 YZJGLBUXCINIEI-MRXNPFEDSA-N 357.454 3.584 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCSc2ccccc2)c1C 2645702 PPYYFSSPGZLAJY-UHFFFAOYSA-N 359.447 3.742 0 40 FHAB aggregator CCCCCC(=O)Nc1cccc(Cl)c1N1CCN(C(C)=O)CC1 10010420 LTHQZQOFFPGCES-UHFFFAOYSA-N 351.878 3.527 0 40 FHAB COc1cc(NC(=O)c2cccnc2Cl)ccc1-c1ccc(CO)o1 20143570 XPKLSXOWLWTNMN-UHFFFAOYSA-N 358.781 3.748 0 40 FHAB O=C(Nc1cccc(Nc2cc(-c3ccccc3)ncn2)c1)c1cnccn1 12231330 ZXLONMGUGOQPAW-UHFFFAOYSA-N 368.400 3.930 0 40 FHAB Cc1ccc(C(=O)N/C(=C/c2ccccc2Cl)c2nnc(S)[nH]2)cc1 9042740 CYNBFONQACAXSD-XNTDXEJSSA-N 370.865 3.983 0 40 FHAB CS(=O)(=O)c1cc(C(=O)OCc2ccccc2Cl)ccc1Cl 12953035 LVKNIHUITPDOBW-UHFFFAOYSA-N 359.230 3.754 0 40 FHAB Cc1ccc(N2CCCN(Cc3ccccc3OC3CCCC3)CC2)nn1 93151266 AQZIXNIDBQDJAK-UHFFFAOYSA-N 366.509 3.819 0 40 FHAB CCc1ccc(N2C[C@H](c3nnc(NC(=O)C(C)(C)C)s3)CC2=O)cc1 9199709 CZUODWIJVHPIAJ-CYBMUJFWSA-N 372.494 3.606 0 40 FHAB CCN(CC)C(=O)CSc1nnc(-c2ccc3c(c2)CCCC3)n1CC 9193358 YWUFQJYYEHQWLZ-UHFFFAOYSA-N 372.538 3.804 0 40 FHAB COc1ccc2c(c1)CN(C(=O)Nc1ccc3c(c1)CCCN3C)CC2 64561201 NQZWQBBRPHMLQU-UHFFFAOYSA-N 351.450 3.668 0 40 FHAB Cc1cc(CC(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)no1 96001326 SDGPQYLAFPBWFZ-KRWDZBQOSA-N 366.421 3.719 0 40 FHAB Cc1cccc(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)n1 27969811 DORUKXBHFHXNBR-UHFFFAOYSA-N 371.238 3.650 0 40 FHAB CCOC1CCN(C(=O)c2sc(NC(=O)C(C)(C)C)cc2C)CC1 65593631 MZGIXMMYABTUTM-UHFFFAOYSA-N 352.500 3.682 0 40 FHAB Cc1cc(O)c2c(C)c(CC(=O)NCCC3=CCCCC3)c(=O)oc2c1 5348285 MSYMNUTVSSPHDC-UHFFFAOYSA-N 355.434 3.665 0 40 FHAB COc1cccc(-c2noc(CCC(=O)Nc3cccc(Cl)c3)n2)c1 5532993 XPJKYBZIKSNHQH-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CCC2)C(=O)N1CCCCCC1 7119903 KXRJJSCACZHVBS-HNNXBMFYSA-N 366.461 3.671 0 40 FHAB CC(C)[C@H](NCc1ccc2c(c1)OCCO2)c1nc(-c2ccccc2)no1 67502343 CWIUJDIYVQEAEO-IBGZPJMESA-N 365.433 3.995 0 40 FHAB CCCCc1nc2ccc(NC(=O)c3ccc(=O)n(CCCC)n3)cc2[nH]1 67656064 ZQUPZQWHXCHCGJ-UHFFFAOYSA-N 367.453 3.515 0 40 FHAB CCOc1cc2c(cc1/C=C/C(=O)NCc1ccc(F)cc1)O[C@H](C)C2 7345598 PVYNSRQEAQXIMO-VIIAAUOXSA-N 355.409 3.877 0 40 FHAB CNC(=O)NC(=O)[C@H](Nc1cc(C(C)(C)C)ccc1OC)c1ccccc1 7370585 IGXRFLKMSMXVBE-GOSISDBHSA-N 369.465 3.602 0 40 FHAB Cc1c(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)sc2ccccc12 9577811 CNWFNMUEWIIETP-FKIZINRSSA-N 370.474 3.893 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2cccc(C(C)=O)c2)c1C 9885400 UTLZBHZEPIMCLK-CYBMUJFWSA-N 356.422 3.694 0 40 FHAB Cc1csc(NC(=O)CSc2nnc(NC3CCCCC3)s2)n1 8734497 PISZCCVUYZBDOG-UHFFFAOYSA-N 369.541 3.778 0 40 FHAB CCc1c(C(=O)Nc2ccc(Br)cc2)nnn1-c1ccccc1 8715266 HOWAKWMSFHOBTC-UHFFFAOYSA-N 371.238 3.845 0 40 FHAB CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)[C@H](C)c1c(C)noc1C 95994196 DWFWICOOKJVQKP-MOCULFSLSA-N 350.846 3.941 0 40 FHAB C[C@@H](NC(=O)c1cccc(Nc2cnccn2)c1)[C@@H]1COc2ccccc21 89894437 FYVPXPGKENLTGN-KDOFPFPSSA-N 360.417 3.515 0 40 FHAB O=C(c1cc(O)cc(Br)c1)N1CCC(c2cscn2)CC1 1548449147 OHTXZWKIIUGPDO-UHFFFAOYSA-N 367.268 3.631 0 40 FHAB CC[C@@H]1CN(C(=O)c2cncc3ccccc23)CCN1Cc1ccccc1 546109007 CJGVVVBQKSPILC-HXUWFJFHSA-N 359.473 3.971 0 40 FHAB CCc1ccc(-c2csc(NC(=O)[C@@H]3CCCO3)c2C(=O)OC)cc1 28284568 APJFQOZIJNOOIF-HNNXBMFYSA-N 359.447 3.882 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccccc2CN2CCCC2)cc1 24189392 KSSVDTLGGBDDGA-SFHVURJKSA-N 352.478 3.675 0 40 FHAB O=C(NCCSCc1ccccc1)C1CCN(Cc2ccccc2)CC1 39772216 ZSESCQNZISHHIE-UHFFFAOYSA-N 368.546 3.948 0 40 FHAB Cc1nnc2ccc(C(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)cn12 523569643 ZPDOEELXOFBWFK-LJQANCHMSA-N 352.413 3.838 0 40 FHAB O=Cc1ccccc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 3852331 GHLLSRODVFSCKQ-UHFFFAOYSA-N 365.454 3.890 0 40 FHAB biogenic Cc1nc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[S@]3=O)ccc1-c1ccccc1 529106395 VZBZZIQTMBHYPN-XJCBTKLQSA-N 369.490 3.574 0 40 FHAB CC(=O)Nc1ccc(OC(=O)c2ccc(CN3CCCCC3)cc2)cc1 32868874 DMUNLKNHGBZSSF-UHFFFAOYSA-N 352.434 3.850 0 40 FHAB Cc1cn2c(=O)cc(COc3ccc(NC(=O)CC(C)C)cc3)nc2s1 35475926 XGRBGHDYJSHYHZ-UHFFFAOYSA-N 371.462 3.628 0 40 FHAB Cc1nc2c(c(Nc3ncc(C)s3)n1)CN(C(=O)C1CCCCC1)CC2 72380754 OYRYZRNANGLGOF-UHFFFAOYSA-N 371.510 3.759 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1nc(-c2cccc(C)c2)no1 219328634 NUDOVZQFQIJCSM-QGZVFWFLSA-N 369.396 3.658 0 40 FHAB O=C(Cc1ccc(F)cc1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 70635391 OEPYXDKOXQABHM-QGZVFWFLSA-N 367.342 3.987 0 40 FHAB CCC(C)(C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 36718953 FBJDHGXTZYKFOM-UHFFFAOYSA-N 374.506 3.739 0 40 FHAB CCc1ccc(C(=O)Nc2cc(N3CCOCC3)c(N)cc2Cl)cc1 72229179 LDXYSMKBBGURLM-UHFFFAOYSA-N 359.857 3.574 0 40 FHAB COc1ccccc1-c1nccnc1[C@H]1CCCN(Cc2ccccn2)C1 72358616 YAWPRVUNKHRCBJ-KRWDZBQOSA-N 360.461 3.927 0 40 FHAB COc1ccc(OCCNC(=O)CSCc2cccc(Cl)c2)cc1 223404984 FMMRPJQGUJLQGP-UHFFFAOYSA-N 365.882 3.777 0 40 FHAB COc1ccc(-c2noc(CNC(=S)Nc3ccc(Cl)cc3)n2)cc1 225823467 RUGKEMFWZMYEKF-UHFFFAOYSA-N 374.853 3.885 0 40 FHAB O=S(=O)(c1cccnc1)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 225658523 REJDTDREZJJFCL-OAHLLOKOSA-N 350.871 3.693 0 40 FHAB Cc1c(Br)cc2c(c1C)OC[C@H](N1CCC[C@@H](C)C1)C2=O 222074133 JIVMRPJEBPXDAA-BMIGLBTASA-N 352.272 3.742 0 40 FHAB O=C(NCc1ccc(C(=O)N2CCCCCC2)cc1)c1ccc(F)cc1 40089199 PXFZWVMLEGDMSJ-UHFFFAOYSA-N 354.425 3.772 0 40 FHAB CCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccccc1OC 41076988 OKHDYSDDBKTWBT-UHFFFAOYSA-N 351.406 3.591 0 40 FHAB CC(C)Oc1ccc(CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1 42645951 NEUHHRFPHVGINF-UHFFFAOYSA-N 364.804 3.521 0 40 FHAB O=S(=O)(NC1CCCC1)c1ccc(Br)c(C(F)(F)F)c1 98072932 NECUWXFAWBVZDE-UHFFFAOYSA-N 372.206 3.689 0 40 FHAB COc1ccccc1N1CCN(C(=O)CCc2ccc(C)c(C)c2)CC1 96621651 IOOMLWUHJLNQQM-UHFFFAOYSA-N 352.478 3.593 0 40 FHAB Cc1ccc(CN2CCC3(CC2)CO[C@H](COCc2ccccn2)C3)o1 96106173 RWUNVCLWXOVVKR-FQEVSTJZSA-N 356.466 3.571 0 40 FHAB CCOc1ccc([C@H](N)c2n[nH]c(-c3ccc(C)cc3)n2)cc1OCC 95534598 SXSBMTJOLFEANP-SFHVURJKSA-N 352.438 3.626 0 40 FHAB Cc1nc(-c2c(C)noc2C)cc(C2CCN([C@H]3CCCOCC3)CC2)n1 257329050 XIEJDKQCSUKMGB-SFHVURJKSA-N 370.497 3.805 0 40 FHAB CN1[C@@H]2CN(C(=O)c3cc(-c4ccc(F)cc4)no3)[C@@H]3CCC[C@H]1[C@]3(C)C2 257209510 BQSGWVZFAXWVCZ-RMYQPGKMSA-N 369.440 3.568 0 40 FHAB Cc1ccc(Nc2nc([C@@H]3CCCN(Cc4ccnn4C)C3)cs2)nc1 257238481 HLDUUBAPBJSKTQ-OAHLLOKOSA-N 368.510 3.703 0 40 FHAB O=C(CN1CCCC1)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257277188 NWUGCFQIEPENNP-LJQANCHMSA-N 371.456 3.554 0 40 FHAB Cc1cnc(-c2nnc([C@H]3CCCCN3C(=O)c3ccccc3C)o2)cn1 257307576 SZHJMFYMDCNJQD-QGZVFWFLSA-N 363.421 3.511 0 40 FHAB COc1cccc(Cc2cnc([C@H]3CCN(C(=O)C4CCCC4)C3)o2)c1 257300474 RULBADOYOFNCEE-KRWDZBQOSA-N 354.450 3.780 0 40 FHAB Cc1c(NC(=O)[C@H](C)c2ccc(C(=O)c3cccs3)cc2)cnn1C 1177688572 UOLHBAFKQWSKFX-GFCCVEGCSA-N 353.447 3.763 0 40 FHAB CCCCc1ccc(C(=O)N[C@@H](C[C@H]2CNc3ccccc32)C(=O)O)cc1 670417855 VKODPLHWBVQGSA-PXNSSMCTSA-N 366.461 3.812 0 40 FHAB Cc1cc(N2CCC(Nc3ccnc(C(F)(F)F)c3)CC2)nc(C)n1 672231744 SWEWLDCGQHZRQL-UHFFFAOYSA-N 351.376 3.588 0 40 FHAB CS(=O)(=O)c1ccc(CCC(=O)N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)cc1 1776001193 DJXCJESTSDDZCF-OALUTQOASA-N 373.518 3.657 0 40 FHAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1cccc(CN2CCCC2=O)c1 48290485 YKDIMFNMQBCLLQ-APWZRJJASA-N 373.497 3.526 0 40 FHAB CC(=O)Nc1ccc2nc(NC(=O)CSCc3ccccn3)sc2c1 58159970 GLFKDOCVRWFQND-UHFFFAOYSA-N 372.475 3.522 0 40 FHAB CSc1nc(C)c(CCC(=O)N2CCC[C@@H]2c2ccc(O)cc2)c(C)n1 58222764 DRXHWCQVHBHRMO-GOSISDBHSA-N 371.506 3.817 0 40 FHAB CCc1cccc(C)c1NC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 13571755 AHFFQKDYYDPBCG-DOTOQJQBSA-N 367.518 3.535 0 40 FHAB COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1Br 14242037 JXCHQUUVGOJRKJ-UHFFFAOYSA-N 366.211 3.727 0 40 FHAB CCCCCCNC(=O)N1CCN(C(=O)NCCCCCC)[C@H](C)C1 16637966 SAVIHLYIANNRGW-QGZVFWFLSA-N 354.539 3.572 0 40 FHAB Cc1ccc(-c2nc(C(=O)OCC(=O)Nc3nc(C)cs3)cs2)cc1 17940299 KTSUORDFZCWEPY-UHFFFAOYSA-N 373.459 3.679 0 40 FHAB CCC[C@@H](C(=O)N1CCCC[C@H]1CCN1CCCC1)n1nc(C)cc1C 19501792 FKNBVJVTCOHCHW-PMACEKPBSA-N 360.546 3.708 0 40 FHAB Cc1cc(C)n(CCCC(=O)N[C@H]2[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)n1 19574195 UUVJGRZWXTUFGE-UGESXGAOSA-N 351.494 3.979 0 40 FHAB CC(=O)Nc1c(C(=O)NCC(C)(C)c2ccc(F)cc2)[nH]c2ccccc12 19717726 UEBQSCUPBLHUSP-UHFFFAOYSA-N 367.424 3.973 0 40 FHAB O=C(CCNC(=O)c1ccccc1Cl)N[C@@H]1CCCc2ccccc21 5442996 NCKRAOUADNJCIZ-GOSISDBHSA-N 356.853 3.654 0 40 FHAB COc1ccc(CC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 6789994 PKLJDMFMYBRPHY-QFIPXVFZSA-N 369.461 3.913 0 40 FHAB O=C(Nn1cnc2sccc2c1=O)c1sc2ccccc2c1Cl 9691036 BJWZTGWHYWVNJU-UHFFFAOYSA-N 361.835 3.710 0 40 FHAB O=C(COc1ccc(Br)cc1F)Nc1nc(C2CC2)cs1 23134985 HEJINKYRVDHBKJ-UHFFFAOYSA-N 371.231 3.940 0 40 FHAB O=C(CN1CCCC1)Nc1c2c(nc3ccccc13)N(c1ccccc1)CC2 823166 NEGLTAOBUVVVFF-UHFFFAOYSA-N 372.472 3.963 0 40 FHAB Cc1cccc(C)c1NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 968776 NPAQUCHKNHSYPJ-UHFFFAOYSA-N 366.442 3.604 0 40 FHAB COc1cccc(OC)c1C(=O)N1CCN=C1SCc1ccc(F)cc1 4119936 IHCMYHCNMWAUDD-UHFFFAOYSA-N 374.437 3.588 0 40 FHAB O=C(Nc1ccc(F)cc1)c1cccn(Cc2ccccc2Cl)c1=O 5269835 ASICIPKDICDKQC-UHFFFAOYSA-N 356.784 3.941 0 40 FHAB Cc1ccccc1NC(=O)c1c[nH]c2c(c(C)nn2-c2ccccc2)c1=O 7424013 JFVOZQKWDSYZHV-UHFFFAOYSA-N 358.401 3.583 0 40 FHAB Cc1cccc(NC(=O)[C@H](NC(=O)C2CCC(C(C)C)CC2)C(C)C)n1 9096399 GVPLNCWHMMQINW-FAFZWHIHSA-N 359.514 3.932 0 40 FHAB CN(C)[C@@H](CNC(=O)COc1ccc2ccccc2c1)c1ccc(F)cc1 10329534 AYLFUFIXTHZLAC-NRFANRHFSA-N 366.436 3.777 0 40 FHAB CSc1cccc(-n2nnc(C(=O)OCc3ccccc3F)c2C)c1 12416127 UFXXCNICMJROQG-UHFFFAOYSA-N 357.410 3.794 0 40 FHAB C[C@@H](NC(=O)NC[C@@H]1COc2ccccc2O1)c1ccc(Cl)s1 40086446 ZCLUDGQEOIFKRH-GHMZBOCLSA-N 352.843 3.602 0 40 FHAB Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NCc3ccccc3)C2)c1 40150738 MWXBRGYNNHBWTF-GOSISDBHSA-N 351.450 3.555 0 40 FHAB CCc1cccc(OCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1 30767995 BCGCAGGHYYZBFE-UHFFFAOYSA-N 352.434 3.503 0 40 FHAB CCOCc1ccccc1CNC(=O)C(=O)c1c(C)[nH]c2ccccc12 30874015 ZBXHXFLUKBOKEW-UHFFFAOYSA-N 350.418 3.512 0 40 FHAB Cc1cc(N2CCSCC2)ccc1NC(=O)Nc1ccc2c(c1)OCO2 51236539 UXYZYOWOSHAUKM-UHFFFAOYSA-N 371.462 3.921 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@@H]2CC(O)=Nc3c(-c4ccccc4)cnn32)cc1 20715312 NIAMDUMJQUQLGK-SFHVURJKSA-N 374.400 3.924 0 40 FHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)CCCNC(=O)c1ccc(F)cc1)C2 102130200 BNFOCPQAMMXJJX-XPIZARPCSA-N 360.473 3.667 0 40 FHAB COc1ccc(C2=C[C@@H](c3cccc4ccccc34)n3nnnc3N2)cc1 102255180 RSJYNPVFQKSWHV-FQEVSTJZSA-N 355.401 3.891 0 40 FHAB CN(C)c1c(Cl)cccc1NS(=O)(=O)c1ccc(F)cc1Cl 32926265 PPPJECAVYKDXBS-UHFFFAOYSA-N 363.241 3.999 0 40 FHAB O=C(NC1CCCC1)C1CCN(c2ncnc3c2oc2ccccc23)CC1 33169552 QORORAORGPERBP-UHFFFAOYSA-N 364.449 3.651 0 40 FHAB COc1cc(C(=O)Oc2ccc3ccc(O)cc3c2)cc(OC)c1OC 683120 AVSTZOWEECWCFQ-UHFFFAOYSA-N 354.358 3.790 0 40 FHAB O=c1[nH]c2ccc(NC(=S)Nc3ccc(SC(F)F)cc3)cc2[nH]1 3255451 HBSVYWXZZFHJFF-UHFFFAOYSA-N 366.418 3.980 0 40 FHAB COc1ccc(NCC(=O)N2CCC(Cc3ccccc3)CC2)cc1OC 3318298 LAZRIGSGPYGGOE-UHFFFAOYSA-N 368.477 3.597 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)c1cccc(OC(F)F)c1 3525022 ZBBISKJNAYEXOU-UHFFFAOYSA-N 350.321 3.507 0 40 FHAB CCOc1ccc(NC(=O)C[C@H](Cc2cc(C)cc(C)c2)C(=O)O)cc1 3902921 HBSVOULBHMSHKC-KRWDZBQOSA-N 355.434 3.974 0 40 FHAB CCc1ccccc1N(C(=O)c1ccc(C)cc1)[C@@H]1C=CS(=O)(=O)C1 4165540 FALJUYUGADWZFK-GOSISDBHSA-N 355.459 3.515 0 40 FHAB O=C(COC(=O)c1cc2ccccc2o1)Nc1ccc(OC(F)F)cc1 4362375 ZBGITANVZGSIGC-UHFFFAOYSA-N 361.300 3.830 0 40 FHAB Cc1ccc(NC(=O)COCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1Cl 4681343 VESUGRZOBNUSRC-RVSPLBMKSA-N 366.889 3.544 0 40 FHAB C[C@@H](Cc1ccccc1)NC(=O)CCCC(=O)N[C@@H](C)Cc1ccccc1 4697242 KOZXPMZUPKFBGS-OALUTQOASA-N 366.505 3.652 0 40 FHAB CCn1c(S[C@@H](C)C(=O)Nc2nccs2)nnc1-c1ccc(C)cc1 4814610 MBXKZYCYCWIBSC-LBPRGKRZSA-N 373.507 3.849 0 40 FHAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 5127238 MQZAMDOECLNBQK-UHFFFAOYSA-N 371.521 3.831 0 40 FHAB O=C(/C=C/c1ccccc1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1 5626324 MNFXWMRLPZIUDI-CCEZHUSRSA-N 373.456 3.908 0 40 FHAB O=C(COc1ccc(C(F)(F)F)cn1)Nc1ccc(OC(F)F)cc1 5694295 BPGASWOBKSEEGX-UHFFFAOYSA-N 362.254 3.719 0 40 FHAB COc1ccc(CN(C)C(=O)CCOc2cc(C)ccc2C)c(OC)c1 6288415 LBLXNQSEZNTWMY-UHFFFAOYSA-N 357.450 3.748 0 40 FHAB CN(CCO)c1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12 6399516 HJKVJEMUBACIIR-UHFFFAOYSA-N 362.458 3.849 0 40 FHAB C[C@H]1CCC[C@H](NC(=O)[C@]2(C)CC2(Br)Br)[C@@H]1C 6525541 ONPFGMBLRBYCSL-WYFGTUCQSA-N 367.125 3.823 0 40 FHAB COc1ccc(NC(=O)Cc2c(C)c3c(OC)cc(C)cc3oc2=O)cc1 6661031 NXPYMZLFTOSFBF-UHFFFAOYSA-N 367.401 3.608 0 40 FHAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)cc1 6831464 SMWLNRDIIOIBEP-UHFFFAOYSA-N 373.884 3.743 0 40 FHAB O=C(NCc1cccc(Cl)c1)C1CCN(C(=O)c2cccs2)CC1 7135218 PMLFRZKCJMCPIU-UHFFFAOYSA-N 362.882 3.570 0 40 FHAB CCOCc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2ccccc12 7753611 CVEHJXRAVXDLOA-UHFFFAOYSA-N 353.374 3.628 0 40 FHAB O=C(COC(=O)c1ccc2ncsc2c1)Nc1cc(Cl)ccc1F 7979616 YRCYJMCJMNLURC-UHFFFAOYSA-N 364.785 3.884 0 40 FHAB COc1cc(Br)cc(/C=C2/C(=O)Nc3ccccc32)c1OC 8109815 QGZKHZDHMMRUJS-MDWZMJQESA-N 360.207 3.959 0 40 FHAB COc1ccc(OC)c(S(=O)(=O)Nc2c(Cl)cccc2Cl)c1 8115661 BULXSCNSRCQFON-UHFFFAOYSA-N 362.234 3.811 0 40 FHAB COc1cccc(C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)c1 8131916 GYLPPGVRLVWCCT-FQEVSTJZSA-N 355.434 3.984 0 40 FHAB CCOCCCNCc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 8253175 MCWLODHRDWSCKT-UHFFFAOYSA-N 364.873 3.839 0 40 FHAB COC(=O)c1cccc(NC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)c1 8401597 CXSAXNNFRUVJPY-LBPRGKRZSA-N 369.446 3.782 0 40 FHAB Cc1cc(C)cc(-c2nnc(SCC(=O)c3ccc(O)cc3O)o2)c1 9364591 LCZKWJSRAUGICN-UHFFFAOYSA-N 356.403 3.740 0 40 FHAB O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc(-n2cncn2)cc1 9609927 HXLLGULPSHQMBC-UHFFFAOYSA-N 361.430 3.567 0 40 FHAB CC[C@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C 10364830 DMEJADKCYUZIKS-AWEZNQCLSA-N 360.479 3.633 0 40 FHAB CCCNC(=O)CN(C)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 12623095 QRIRCQUZGNPPQB-UHFFFAOYSA-N 350.871 3.667 0 40 FHAB COc1ccc(-c2nc(-c3ccc4[nH]c(=O)oc4c3)cs2)cc1OC 12623312 BMWOOBYMCHNNHD-UHFFFAOYSA-N 354.387 3.929 0 40 FHAB Nc1nc(SCc2csc(-c3ccc(C(F)(F)F)cc3)n2)n[nH]1 12775537 MBQKOMMGMZIJMR-UHFFFAOYSA-N 357.386 3.822 0 40 FHAB COc1ccc([C@@H]2CCCN2CC(=O)N(C)Cc2ccc(C)cc2)cc1 12787971 ZYOXEKOXIBZAJW-NRFANRHFSA-N 352.478 3.799 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 12818316 GRVKJNXXJBGLHC-SGTLLEGYSA-N 372.852 3.811 0 40 FHAB O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCCN1C(=O)c1cccs1 12873457 ODTHGAJZROHHTD-AWEZNQCLSA-N 350.390 3.660 0 40 FHAB COc1ccc(-c2noc(-c3cc4cccc(OC)c4oc3=O)n2)cc1F 12878150 VBZUSVNPWMZBQZ-UHFFFAOYSA-N 368.320 3.666 0 40 FHAB O=C1c2ccccc2-c2nn(C[C@@H](O)COc3ccccc3)c3cccc1c23 12898530 DDPXNKLMRPJPHW-OAHLLOKOSA-N 370.408 3.688 0 40 FHAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cc(F)cc(F)c1 12918638 ZXQOGVPNLBXWMT-UHFFFAOYSA-N 362.420 3.626 0 40 FHAB Cc1[nH]nc2c1[C@@H](c1cccc(O)c1)N(CCc1c[nH]c3ccccc13)C2=O 13691645 YGFZTTNQTJJDPT-OAQYLSRUSA-N 372.428 3.693 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C)cc1 14013621 YOHRROBLYKAFJE-LJQANCHMSA-N 354.450 3.931 0 40 FHAB Cc1ccccc1OCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 14094516 PEEKEDHEATVVKT-KRWDZBQOSA-N 353.418 3.509 0 40 FHAB CCC(CC)NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 14231691 CVAWCFHAXMSQPR-IYBDPMFKSA-N 360.498 3.773 0 40 FHAB CC[C@H](C)c1nn2c(=O)c(NC(=O)c3ccccc3Cl)cnc2s1 14291559 VLPDMSXNHJFKLD-VIFPVBQESA-N 362.842 3.570 0 40 FHAB O=S(=O)(C1=Cc2ccccc2CC1)N1CCc2[nH]c3ccccc3c2C1 14806185 JSCITGQPSYLJNN-UHFFFAOYSA-N 364.470 3.843 0 40 FHAB COc1ccc(-c2nc(CNC(=O)COc3ccc(C)cc3)cs2)cc1 15832658 RBWIOENAVGVCTQ-UHFFFAOYSA-N 368.458 3.822 0 40 FHAB O=c1[nH]c(COc2ccc(Br)cc2Cl)nc2ccccc12 15899644 YBKVNWXOXIOKFT-UHFFFAOYSA-N 365.614 3.918 0 40 FHAB CCC[C@H](C)NC(=O)NCc1cccc(CNC(=O)N[C@H](C)CCC)c1 16046480 FLCGPBALNQMGCT-IYBDPMFKSA-N 362.518 3.662 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc3ccccc3c2)cc1 16121404 QSGKSLXRBWAMTK-UHFFFAOYSA-N 354.431 3.623 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCCOc1ccccc1 17849868 OAOAAKUOOUQVIC-UHFFFAOYSA-N 373.815 3.782 0 40 FHAB C[C@@H](Sc1cc(-c2ccccc2)c2cc3c(cc2n1)OCCO3)C(N)=O 18807130 YNCFJSDWXFNVSI-GFCCVEGCSA-N 366.442 3.639 0 40 FHAB COc1ccc(CCNC(=O)C[C@H](C)n2nc(C)c(Cl)c2C)cc1C 19571343 ZPWIJUYIGQYLCH-ZDUSSCGKSA-N 363.889 3.780 0 40 FHAB O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc3nc(C(F)(F)F)nn3cc21 20632516 IFFWAUTYQAQVBU-VIFPVBQESA-N 366.730 3.709 0 40 FHAB O=C(COc1ccc(Cl)cc1)N1CCCC[C@H]1CCN1CCCCC1 21170408 UOVKCZGELLDUKP-SFHVURJKSA-N 364.917 3.976 0 40 FHAB COCc1c(C(=O)Nc2ccc(N(C)C)nc2)sc2cccc(F)c12 22419887 JHVKQHOHVJGLGA-UHFFFAOYSA-N 359.426 3.900 0 40 FHAB CCc1cc(C(=O)O[C@H](C)C(=O)N2CCc3ccccc3C2)sc1C 23878723 RGDBGKUXHLNVNW-CYBMUJFWSA-N 357.475 3.749 0 40 FHAB CC(=O)c1ccc(O[C@@H](C)C(=O)OCc2nc3ccccc3nc2C)cc1 25060931 YFIGJILUKUWZNR-HNNXBMFYSA-N 364.401 3.652 0 40 FHAB Cc1cccc(-n2ccnc2SCC(=O)c2ccc3c(c2)OCO3)c1 26046313 BEDAQOGOZDQQMF-UHFFFAOYSA-N 352.415 3.884 0 40 FHAB CCn1ncc(Br)c1C(=O)Nc1ccc(Br)cc1 28223731 XBALHXOUGFKFSM-UHFFFAOYSA-N 373.048 3.680 0 40 FHAB O=C(Oc1ccc2oc3ccccc3c2c1)c1ccc(-n2cnnn2)cc1 29467887 WFACSPDQPRNTBZ-UHFFFAOYSA-N 356.341 3.781 0 40 FHAB Cc1sc(-c2ccco2)nc1C(=O)N(C)Cc1nc2ccccc2[nH]1 30660171 SMOCQNFNDZFFBY-UHFFFAOYSA-N 352.419 3.860 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 30856829 IVZISWBHUJHBCD-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB O=C(COc1cccc(Cl)c1)NCc1cccc(CN2CCCC2)c1 32462960 HNVYEZCCUKNTOW-UHFFFAOYSA-N 358.869 3.631 0 40 FHAB O=C(Nc1ccc(F)c(F)c1)c1nc2ccccc2nc1N1CCCC1 32642872 KNUUEVCHLUXCLW-UHFFFAOYSA-N 354.360 3.761 0 40 FHAB CCC[C@H](NC(=O)CCc1nc(-c2cccnc2)no1)c1ccccc1 32824664 KTFLCLUNERELDZ-KRWDZBQOSA-N 350.422 3.722 0 40 FHAB O=C(Nc1cc2c(cc1Cl)OCCO2)c1ccc2nc3n(c2c1)CCC3 32935267 RYTYOTZCDZBBNU-UHFFFAOYSA-N 369.808 3.659 0 40 FHAB CCCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)c1ccc(F)c(F)c1 33157258 SGUFSIXKVGJQBN-GFCCVEGCSA-N 367.417 3.640 0 40 FHAB O=C(c1ccco1)N1CCC[C@@H](c2nnc(Cc3ccccc3)s2)C1 36705225 MUQPPUFZKOAKKO-OAHLLOKOSA-N 353.447 3.742 0 40 FHAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(OC)cc1 38500766 VFRRFVRJRSDALT-UHFFFAOYSA-N 355.369 3.671 0 40 FHAB COC(=O)C1CCN(C(=O)/C=C/c2ccc(-c3ccccc3F)o2)CC1 39969239 OKBNCHFDLQMEDI-VQHVLOKHSA-N 357.381 3.511 0 40 FHAB O=C(NCC[C@H]1CCCO1)c1nc(-c2ccccc2)n2c1CCCCC2 40086679 YSKZHEDHMZRINX-QGZVFWFLSA-N 353.466 3.575 0 40 FHAB O=C1CSc2ccccc2N1CCC(=O)N1CCC[C@@H]1c1ccsc1 48236001 LWYNXAIFIJXKGU-OAHLLOKOSA-N 372.515 3.941 0 40 FHAB O=C(NCCc1ccccc1C(F)(F)F)c1cncc(Br)c1 53234266 WEDLWPSEQJCMDC-UHFFFAOYSA-N 373.172 3.835 0 40 FHAB Cc1cccc(OCCNC(=O)N2CC=C(c3ccc(O)cc3)CC2)c1 54095968 LFAAEDMVYWLLFJ-UHFFFAOYSA-N 352.434 3.578 0 40 FHAB COC(=O)COc1ccc(NC(=O)c2ccccc2C(F)(F)F)c(C)c1 55906835 NOAFNMZWVSDQPJ-UHFFFAOYSA-N 367.323 3.818 0 40 FHAB CSc1ccccc1NC(=O)[C@H](C)N1CCN(c2ccccc2F)CC1 57024350 GWXKNCDAWFAOSS-HNNXBMFYSA-N 373.497 3.697 0 40 FHAB O=c1[nH]c(CN2CCC(c3c[nH]c4ccccc34)CC2)nc2ccccc12 57383144 IZFGFIDLEFCKHU-UHFFFAOYSA-N 358.445 3.784 0 40 FHAB COC(=O)c1ccccc1NC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 57412546 SUXCWSAOXDPSCE-UHFFFAOYSA-N 355.781 3.769 0 40 FHAB O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N(CC1CC1)C1CC1 76250699 CADFXWKYJQTRDC-UHFFFAOYSA-N 360.255 3.854 0 40 FHAB CC(C)c1ccccc1OCC(=O)NCc1nc(-c2cccs2)no1 78582228 ZWSADNGZQJNBMX-UHFFFAOYSA-N 357.435 3.617 0 40 FHAB Cc1cc(C)nc(Nc2cccc(C(=O)N[C@H]3CCOC(C)(C)C3)c2)n1 79477552 WDIJEPUYMGKGKQ-KRWDZBQOSA-N 354.454 3.524 0 40 FHAB Cc1cc([C@H](C)NC(=O)c2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)c(C)s1 84081857 NXCDOROBXZCWCC-GUTXKFCHSA-N 373.522 3.865 0 40 FHAB C[C@@H]1CN(C(=O)CSCc2nc3ccccc3s2)c2cccnc2O1 89941254 YNJHQAXIBPSHSG-GFCCVEGCSA-N 371.487 3.739 0 40 FHAB CC(C)(C)OC(=O)N1CCC(COc2ccc(Br)cn2)CC1 91365873 LZVROYQTBUNAMM-UHFFFAOYSA-N 371.275 3.870 0 40 FHAB Cc1ccc2nc(CO[C@H]3CN(Cc4ccccc4C)C[C@H]3F)[nH]c2c1 96112314 AGECQXWKVNLSJZ-XLIONFOSSA-N 353.441 3.919 0 40 FHAB biogenic,in-vitro COc1cccc(NC(=O)NCC2(OC)C3CC4CC(C3)CC2C4)c1OC 96123938 XMKBWLHAFAWTOV-UHFFFAOYSA-N 374.481 3.667 0 40 FHAB Cc1nc(C)c(C(=O)N2[C@H](COc3ccc(F)cc3)[C@@H]3CC[C@@H]2C3)s1 100113108 YYWNUSJYMHKMSA-FRFSOERESA-N 360.454 3.971 0 40 FHAB CC(=O)N[C@H]1C(=O)N(CCOc2cccc3ccccc23)c2c(C)cccc21 100485586 BYNVYKCYNUBZOU-OAQYLSRUSA-N 374.440 3.751 0 40 FHAB COc1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@H](C4)[C@H]23)ccc1O 100511931 KNUWZJNVRUBDEL-KJSNTGEHSA-N 361.488 3.803 0 40 FHAB COC(=O)c1ccc2c(c1)[C@@H]1C[C@@](C)(O2)N(c2ccc(C)c(F)c2)C(=O)N1 101085161 UNWLFZPGEUNYCD-OXJNMPFZSA-N 370.380 3.690 0 40 FHAB CCOC(=O)C1=C(C)/C(=C\c2[nH]c(Cl)c(C)c2C(=O)OCC)N=C1C 104327138 HROHYZIOOXDSLX-XYOKQWHBSA-N 364.829 3.848 0 40 FHAB CC[C@H](C(=O)Nc1cc(C)ccc1C)N(c1cccc(C)c1)S(C)(=O)=O 220493744 SMRPUXQGSCKOEQ-LJQANCHMSA-N 374.506 3.795 0 40 FHAB CC1(C)C[C@H](NC(=O)CCc2ccc3c(c2)OCO3)c2ccccc2O1 222652412 GKYGWWXULASSMV-INIZCTEOSA-N 353.418 3.767 0 40 FHAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(N2CCOCC2)cc1 225004404 UNNWFYMXBIGPHE-LJQANCHMSA-N 354.450 3.628 0 40 FHAB CCOc1ccc(CCCNC(=S)Nc2cccc(C(=O)OC)c2)cc1 225622723 IGVPZOPWFXKYJJ-UHFFFAOYSA-N 372.490 3.791 0 40 FHAB Nc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1 226266981 HSZZMUOUGUUGIZ-UHFFFAOYSA-N 360.255 3.884 0 40 FHAB O=C(O)c1sc2c(I)ccc(F)c2c1Cl 228940422 REYXQQQZVKOSAH-UHFFFAOYSA-N 356.543 3.997 0 40 FHAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)NC2CCCCCC2)cc1 408560561 DJCMSCLNWMPRBU-UHFFFAOYSA-N 367.515 3.561 0 40 FHAB Cc1ccc(OCc2nn(CC(=O)Nc3ccccc3)c(=S)o2)cc1 409159342 SZQHYQVLHNBYIR-UHFFFAOYSA-N 355.419 3.732 0 40 FHAB O=C(O)c1ccc(CSc2nnc(COc3ccccc3F)o2)cc1 409386255 RTRVSZMPKYLQBP-UHFFFAOYSA-N 360.366 3.778 0 40 FHAB O=C(CCc1ccc(O)nc1)N1CCC[C@H](c2nc3ccccc3s2)C1 559080793 DXXCSXMLOSIYTC-HNNXBMFYSA-N 367.474 3.736 0 40 FHAB COC(=O)c1sccc1NC(=O)Nc1ccc(C(F)(F)F)nc1C 575442378 DRDOKEMZFDTSHM-UHFFFAOYSA-N 359.329 3.901 0 40 FHAB CC[C@@](C)(NC(=O)c1ccccc1)c1noc(-c2cc(C(C)C)[nH]n2)n1 579890979 WIMPHCSLADZTHO-LJQANCHMSA-N 353.426 3.638 0 40 FHAB O=C(Cn1ccnc1)N1CCCCCCCc2ccccc2OCCC1 643583820 BNYKCRLMHJBCTI-UHFFFAOYSA-N 355.482 3.687 0 40 FHAB C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1cn2ccccc2n1 674327138 QNNKMNYMDALVSP-ORAYPTAESA-N 352.413 3.596 0 40 FHAB CC[C@H](c1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)C(=O)O 699218390 WNRGYRVZJGOYMB-OLZOCXBDSA-N 372.259 3.921 0 40 FHAB O=C(c1cc[nH]c1)N1CC[C@@]2(c3ccc(-c4ccoc4)cc3)CCOC[C@H]12 1565551583 SSFHTJKNJJJNBS-UNMCSNQZSA-N 362.429 3.848 0 40 FHAB CCNC(=O)c1oc2cc(OC)ccc2c(=O)c1-c1ccc(Cl)cc1 1775965030 QQSSTLZUGIQGHZ-UHFFFAOYSA-N 357.793 3.872 0 40 FHAB Brc1cnc(NCCCn2ccnc2-c2ccccc2)nc1 1775970502 OQXAFGZQYIIRFZ-UHFFFAOYSA-N 358.243 3.605 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CC(N2C[C@H]3CCC[C@H]3C2)C1 1888869444 OYWFXMSQARHOAA-BETUJISGSA-N 353.388 3.653 0 40 FHAB CC1(C)C[C@@H]2CN(C(=O)c3ncccc3F)CC[C@@H]2N1c1cccc(F)c1 2037988416 FMDLNUUYJINESA-KDOFPFPSSA-N 371.431 3.879 0 40 FHAB COc1ccc(C)c2sc(N3C[C@@H]4CN(c5ccccn5)C[C@H]4C3)nc12 2298100650 BMZVMOYRLMXCCO-GJZGRUSLSA-N 366.490 3.581 0 40 FHAB CN(C)c1cc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)ccn1 47065098 VSVMJTYHWKCJPN-UHFFFAOYSA-N 356.426 3.586 0 40 FHAB Cc1sc2ncn3c(SCC(=O)c4ccccc4)nnc3c2c1C 870478 QTLJIPBIESCXHF-UHFFFAOYSA-N 354.460 3.931 0 40 FHAB COc1ccc(Cc2nnc(NC(=O)c3ccc(C)cc3)s2)cc1OC 1294190 MTLZRCPLEPXMJZ-UHFFFAOYSA-N 369.446 3.707 0 40 FHAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)cn2)cc1 1358526 UZOIURCALHETCH-UHFFFAOYSA-N 365.364 3.734 0 40 FHAB CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 806801 OSVOIBAHSVWHEF-QGZVFWFLSA-N 366.461 3.812 0 40 FHAB CCOC(=O)NC(Nc1cccc(OC)c1)(C(F)(F)F)C(F)(F)F 2275595 GGKRPEUDUCUAPL-UHFFFAOYSA-N 360.254 3.674 0 40 FHAB C[C@@H](CCc1ccco1)N(C)C(=O)c1ccn(COc2ccc(F)cc2)n1 2728182 AACLRJSOAXLHCP-HNNXBMFYSA-N 371.412 3.745 0 40 FHAB CCCCCC(=O)NC(=S)Nc1ccc(Br)cc1C(=O)O 6569743 VYMBIQFRRJMPGL-UHFFFAOYSA-N 373.272 3.541 0 40 FHAB CN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)CC1 7105290 DMAMFITZLQJLMS-UHFFFAOYSA-N 363.383 3.710 0 40 FHAB C[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccc(F)cc1 7218128 VUDSYRRBYOASSJ-QMMMGPOBSA-N 364.261 3.689 0 40 FHAB CCOc1cc(/C=C/C(=O)/N=c2/sccn2C)ccc1OCC(C)C 7780494 OSJITNNRCZAARL-ABIRMIRCSA-N 360.479 3.661 0 40 FHAB Cc1cccc(N2C[C@H](C(=O)Oc3ccc(Br)cc3)CC2=O)c1 7929053 AQPGIRTVDXAPEY-CYBMUJFWSA-N 374.234 3.716 0 40 FHAB COc1ccc([C@H](CNC(=O)NCc2ccc(C)cc2)N2CCCC2)cc1 24980759 DIFMOECYDCRMEQ-NRFANRHFSA-N 367.493 3.640 0 40 FHAB C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(OCc2ccccc2)cc1 24929284 HWYPPOKNZSROJI-HNNXBMFYSA-N 354.450 3.755 0 40 FHAB C[C@@H](NC(=O)Cn1nc(COc2ccccc2)oc1=S)c1ccccc1 8266089 WUKWQSZCUGWQRH-CQSZACIVSA-N 369.446 3.662 0 40 FHAB COc1ncccc1CNC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 26384913 WJMQCPAXBIUGBZ-JTQLQIEISA-N 354.237 3.957 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(c2ccncc2)CC1 58013569 HQMCOXPTFUZDHA-UHFFFAOYSA-N 351.237 3.743 0 40 FHAB CC(C)(C)c1ccc2c(c1)OCC(=O)N2CC(=O)Nc1ccc(F)cc1F 44841476 GNVDAOQPVMNERH-UHFFFAOYSA-N 374.387 3.626 0 40 FHAB CC(C)[C@@H](Sc1nnc(C2CCCCC2)o1)C(=O)NCc1cccnc1 58225417 GVWDWYOAHITKCY-MRXNPFEDSA-N 374.510 3.945 0 40 FHAB O=C([C@@H]1C[C@@H]1c1ccncc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 58248393 MPJSGBOEATWGKO-GUDVDZBRSA-N 364.445 3.710 0 40 FHAB CC[C@@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccc(C)cc1 12785288 FBTBQDVOABRELK-GOSISDBHSA-N 361.445 3.532 0 40 FHAB O=C(CSCc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1 57679991 JWYSXTYFOMDMFC-UHFFFAOYSA-N 362.445 3.547 0 40 FHAB COc1cc(C(=O)Nc2cc3c(cc2Cl)OCO3)ccc1OC(F)F 12772774 VQWMFSRZQBPZKR-UHFFFAOYSA-N 371.723 3.931 0 40 FHAB Cc1ncc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)s1 58369726 BQIIFIGGTMGNKP-UHFFFAOYSA-N 371.384 3.559 0 40 FHAB CN(Cc1cccc2ccccc12)C(=O)c1ccc(N2CCNC2=O)cc1 45188046 MSZDWBMWMNVBNI-UHFFFAOYSA-N 359.429 3.642 0 40 FHAB O=C(COC(=O)c1ccc(Br)cc1)NC1CCCCCCC1 3318534 UTMCTKZSZCUHPF-UHFFFAOYSA-N 368.271 3.835 0 40 FHAB O=C(COC(=O)c1ccc(F)c(Cl)c1)NCc1ccc(Cl)cc1 51354055 FNHBNPOBVWNIRW-UHFFFAOYSA-N 356.180 3.606 0 40 FHAB CCOC(=O)Cc1csc(S[C@H](C)C(=O)c2ccc(F)cc2)n1 48325862 QWCYFGSAUGGFKF-SNVBAGLBSA-N 353.440 3.751 0 40 FHAB COc1cc2cc(C(=O)N[C@@H](C)c3ccc(C)o3)[nH]c2c(OC)c1OC 48311563 PTQHESURHROWBA-NSHDSACASA-N 358.394 3.586 0 40 FHAB CCOc1cccc(-c2nn3c(-c4cccc(OC)c4)nnc3s2)c1 2397084 PXQYJBGJCVOXAJ-UHFFFAOYSA-N 352.419 3.927 0 40 FHAB Cc1noc(C)c1C(=O)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 3564210 BJDBSKJAFYJJMQ-GOSISDBHSA-N 368.364 3.967 0 40 FHAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccc(Br)cc1 3571296 UGJCWHNSHOHRSD-UHFFFAOYSA-N 358.191 3.970 0 40 FHAB CCc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(C)=O)cc1 4278776 SWYHQTREOYLYAB-IBGZPJMESA-N 352.434 3.964 0 40 FHAB Cc1ccccc1NCCC(=O)NC1CCN(Cc2ccccc2)CC1 39975563 GRRUFENCBQRSRV-UHFFFAOYSA-N 351.494 3.578 0 40 FHAB CCCCn1nc(C(=O)Nc2cc(F)ccc2F)c2ccccc2c1=O 6323753 XHOANMHLZVMYBY-UHFFFAOYSA-N 357.360 3.727 0 40 FHAB O=C(/C=C/c1ccco1)NCCCCCCCNC(=O)/C=C/c1ccco1 6333891 YUKYTDWYGHOFQQ-DCIPZJNNSA-N 370.449 3.782 0 40 FHAB CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCOc2ccccc2)C1=O 5304455 ALDVHCZYYSIVDY-NRFANRHFSA-N 370.424 3.842 0 40 FHAB O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCc2sccc2C1 14159946 CIXRDIMUUKKRRR-UHFFFAOYSA-N 367.474 3.691 0 40 FHAB Cc1nc(-c2cccs2)sc1C(=O)OCC(=O)N1CCCCCC1 14200313 SHBGXWQGWBMNJD-UHFFFAOYSA-N 364.492 3.739 0 40 FHAB CC(C)(C)c1nc(CNS(=O)(=O)c2ccccc2-c2ccccc2)no1 72313077 DEYDTLDEVYLTGZ-UHFFFAOYSA-N 371.462 3.513 0 40 FHAB O=C1CN(C(=O)CSC2=Nc3ccccc3CS2)c2ccccc2N1 6588182 HGGCRZFIUQRMRZ-UHFFFAOYSA-N 369.471 3.639 0 40 FHAB CCC[C@@H](C)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccccc1OC 5564079 VRWZTDUHGKBLLK-BZNIZROVSA-N 361.467 3.733 0 40 FHAB CCC(=O)N1c2ncnn2[C@H](c2ccccc2OC)C[C@@H]1c1ccccc1 4816889 FOTBVEOODVWDIH-MSOLQXFVSA-N 362.433 3.764 0 40 FHAB Cc1cc(C(=O)CCC(=O)Nc2ccccc2N2CCOCC2)c(C)s1 6821451 RUDMHBVBKCZQBR-UHFFFAOYSA-N 372.490 3.803 0 40 FHAB CN(C)CCCNC(=S)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 6865408 DAUUGQCAWCGXJR-FQEVSTJZSA-N 366.534 3.664 0 40 FHAB O=C(CSCc1cccc(Cl)c1)NC[C@@H]1COc2ccccc2O1 25984572 ZBAHQJLOMFCOJX-OAHLLOKOSA-N 363.866 3.529 0 40 FHAB C[C@H](NC(=O)CSc1nnc(NC2CC2)s1)c1cc2ccccc2o1 7535471 ODNIXEHKJZGVFX-JTQLQIEISA-N 374.491 3.828 0 40 FHAB O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2O)CC1 7951832 AUBCQKNKJWXYLS-UHFFFAOYSA-N 351.233 3.661 0 40 FHAB O=C(C[C@H](O)c1cccc(F)c1)Nc1ccc(-c2nc(C3CC3)n[nH]2)cc1 91437129 GCSYSUDIXMTIIK-KRWDZBQOSA-N 366.396 3.550 0 40 FHAB COc1ccc(-c2nnc([C@@H](C)Sc3nnnn3C3CCCC3)o2)cc1 8391637 FSJXDSPCOKZDOD-LLVKDONJSA-N 372.454 3.700 0 40 FHAB COc1ccc(/C=C/C(=O)N(C)Cc2cccc(OC)c2OC)cc1F 8718995 INSGJXIADHAZCB-PKNBQFBNSA-N 359.397 3.523 0 40 FHAB CCN(CC(=O)NCCc1nc2ccccc2s1)Cc1cccc(F)c1 96955828 FVBCAVWVNWIACY-UHFFFAOYSA-N 371.481 3.616 0 40 FHAB CC1CCC(NC(=O)c2nnn3c2CO[C@@H](c2ccc(Cl)cc2)C3)CC1 97097303 ZVBYCXDFYQLIHU-MWHAMWOXSA-N 374.872 3.512 0 40 FHAB Cc1sc(NC(=O)Cn2c3c(sc2=O)CCCCC3)c(C)c1C 95961911 BXBIVJMYXMUVCM-UHFFFAOYSA-N 350.509 3.804 0 40 FHAB Cc1cc(C)n(CCC(=O)Nc2cnn(Cc3cccc4ccccc34)c2)n1 28231189 NUOAYXMKAQMRHM-UHFFFAOYSA-N 373.460 3.927 0 40 FHAB CCCn1nccc1C(=O)Nc1nn(Cc2ccc(F)cc2)cc1Cl 28241689 AOJDXBNMFRTUNW-UHFFFAOYSA-N 361.808 3.583 0 40 FHAB CC[C@H]1C=CCN1Cc1ccc(OCc2ccc(C(=O)O)o2)c(OC)c1 1506399174 KJABMEROPCLYJM-HNNXBMFYSA-N 357.406 3.716 0 40 FHAB Cc1cccc(C(=O)N2[C@@H](C(=O)O)COC23CCC(C(C)(C)C)CC3)c1 71980527 LOTPWWIBICCYCE-BQIYRTECSA-N 359.466 3.853 0 40 FHAB COc1ccc(CCNC(=O)c2ccc(COc3ccccc3F)o2)cc1 32930046 BWRJOCKQHLXPTI-UHFFFAOYSA-N 369.392 3.979 0 40 FHAB CCCCCOc1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cc1 32623997 ABLXXICEBDQNAE-UHFFFAOYSA-N 367.493 3.609 0 40 FHAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N3CCC(O)CC3)ccc21 33040079 HKNRAEFPMOEBMJ-OAHLLOKOSA-N 365.477 3.598 0 40 FHAB O=C1C[C@H](C(F)(F)F)c2c(c(C(=O)O)cn2-c2cccc(Cl)c2)N1 66089607 WYDFNOAQGYZRHE-JTQLQIEISA-N 358.703 3.817 0 40 FHAB COC(=O)c1c(C)[nH]c(-c2ccco2)c1[C@H]1C(=O)Nc2ccc(F)cc21 32096808 KZEVRJDOAUNNGX-HNNXBMFYSA-N 354.337 3.593 0 40 FHAB COc1cccc(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1 219305593 HIBVMXUQKQFBIR-KDOFPFPSSA-N 355.434 3.881 0 40 FHAB Cc1nn(-c2ccc(O)nn2)c2c1[C@@H](c1c(F)cccc1Cl)CC(O)=N2 31821005 JBRYUJHJIHJZTB-VIFPVBQESA-N 373.775 3.592 0 40 FHAB COc1ccc([C@@H](C)NC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 78459074 HJOGPVDUQKTLLD-LLVKDONJSA-N 357.793 3.946 0 40 FHAB CC(C)n1cc(C(C)(C)NC(=O)Cc2scnc2-c2ccccc2)nn1 567343436 QMIWRSMKJYUQQJ-UHFFFAOYSA-N 369.494 3.577 0 40 FHAB Cc1cc(-n2cnnc2)cc(C)c1NC(=O)c1cccc(Br)c1 72228966 OKAOOPRADOQHID-UHFFFAOYSA-N 371.238 3.899 0 40 FHAB CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cc(Cl)ccc1Cl 224933814 MSHBQAYEBPCVRB-UHFFFAOYSA-N 374.245 3.937 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C)c1 224193840 XVDHCMXIHAJGKK-CVEARBPZSA-N 357.450 3.965 0 40 FHAB COc1ccc(OC)c(NS(=O)(=O)c2cc(Cl)ccc2SC)c1 223437512 VZEMQMHCCAYQGY-UHFFFAOYSA-N 373.883 3.880 0 40 FHAB C[C@@H]1CCCCN1CCCCNC(=O)c1ccc(F)cc1Br 46989442 CDLAJRHOYVSJIQ-CYBMUJFWSA-N 371.294 3.973 0 40 FHAB Cc1ccc(OCCNC(=O)c2ccc(CN3CCCC3)cc2)cc1C 224094909 MBXMEVGPOIIMDW-UHFFFAOYSA-N 352.478 3.708 0 40 FHAB CCCC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC1CCCC1 224670902 GXJYTFJUCMCIBT-AWEZNQCLSA-N 350.890 3.916 0 40 FHAB CN(Cc1nc[nH]n1)C(=O)N[C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 580164591 KARIIIFWMMLWAI-HZPDHXFCSA-N 361.877 3.716 0 40 FHAB C[C@@H](NC(=O)Cc1ccccc1)c1onc(-c2ccc(F)cc2)c1C(=O)O 96296967 WZOACUVRMWVGJB-GFCCVEGCSA-N 368.364 3.599 0 40 FHAB biogenic,in-vitro Cc1ccc(C(=O)N2CC3(C[C@@H](OCc4ccncc4)CS3)C2)cc1C 248174257 YIJCKBPSDVABQE-LJQANCHMSA-N 368.502 3.615 0 40 FHAB CON(C)C(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 257173885 ZYOVLSDBYQUXLX-ZWKOTPCHSA-N 372.490 3.705 0 40 FHAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)C3CC3)CC2)on1 257214926 CNZCQFUVKCFVPH-SHTZXODSSA-N 354.454 3.548 0 40 FHAB CCn1nccc1-c1cc([C@H]2CCCCN2C(=O)C(C)(C)C)nc(C)n1 257294807 QVUYFBNSMZRUDD-QGZVFWFLSA-N 355.486 3.768 0 40 FHAB C[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N(C)Cc1cccnc1 253399853 KBDAHIIRZDEUOV-LBPRGKRZSA-N 371.824 3.716 0 40 FHAB biogenic,in-vitro CC1CCN(CCNc2nc(-c3ccccn3)nc3sccc23)CC1 1639272541 ZOTAWAWKWAJSLD-UHFFFAOYSA-N 353.495 3.897 0 40 FHAB O=C(NCCc1coc(-c2ccccc2)n1)c1cccc(C(F)(F)F)n1 1292688751 QPYGHNLGACOJDB-UHFFFAOYSA-N 361.323 3.728 0 40 FHAB O=C(Cn1ccc2ccccc21)N1[C@H]2CC[C@H]1CC(Oc1cccnc1)C2 390831458 SAEFUXQEBIQRGB-ROUUACIJSA-N 361.445 3.637 0 40 FHAB Cc1ccc(NC(=O)N[C@H](C[S@@](C)=O)c2ccccc2)cc1Cl 72306120 HREWPIYBZTVBNL-MWTRTKDXSA-N 350.871 3.890 0 40 FHAB C[C@H](CNC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)CN1CCCC1 40152066 CRNMGGHZMXBPDG-MRXNPFEDSA-N 353.510 3.899 0 40 FHAB CCCC(CCC)N1CC[C@H](O)[C@@](O)(COc2cc(C)cc(C)c2C)C1 1615189947 AJBOYYZPDKOQFT-VXKWHMMOSA-N 363.542 3.757 0 40 FHAB CCSCc1nnc2sc(-c3cccc(Br)c3)nn12 1772491458 YGOVKHCPISQKOS-UHFFFAOYSA-N 355.286 3.868 0 40 FHAB COC(=O)[C@@]1(C)CCc2c(cc(OC)c3cccc(OC)c23)[C@H]1CC(=O)O 5732165 KVWMGGAYCRYXGY-VFNWGFHPSA-N 372.417 3.541 0 40 FHAB CCOC(=O)c1cccc(N[C@@H]2SC(=O)N(c3ccc(F)cc3)C2=O)c1 12136903 SONZDLLZYDQNPY-OAHLLOKOSA-N 374.393 3.640 0 40 FHAB NC(=O)/C=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 226333408 XGCKRSMMEQAHRY-FNORWQNLSA-N 350.187 3.666 0 40 FHAB Cc1cccc(OCCN2CCC(c3nnc(-c4cccnc4)o3)CC2)c1 19235189 PAODFRBMMAHALQ-UHFFFAOYSA-N 364.449 3.698 0 40 FHAB CNC(=O)NC(=O)[C@H](Sc1nc2ccccc2s1)c1ccccc1 3557385 YWYKJDVFOGELEO-CQSZACIVSA-N 357.460 3.585 0 40 FHAB COc1ccc(OCCSc2nnc(-c3ccccc3OC)n2C)cc1 5130612 VBYRYBUXGHSCJE-UHFFFAOYSA-N 371.462 3.670 0 40 FHAB c1ccc(CCN2CCC(c3cncc(=Nc4nccs4)[nH]3)CC2)cc1 2037834675 BTENAYYMHGBHST-UHFFFAOYSA-N 365.506 3.521 0 40 FHAB CC1CC(C(=O)N2CCC3(CC[C@H]3NC(=O)CCc3ccccc3)CC2)C1 1614948403 VIZSCEOUFQDTKU-LYBXBRPPSA-N 368.521 3.553 0 40 FHAB COc1ccc(N2C[C@@](O)(c3ccc(Cl)cc3)[N+]3=C2CCCCC3)cc1 4086870 MKOZJRHQPHBRMC-OAQYLSRUSA-N 371.888 3.999 0 40 FHAB COCCn1cc(NC(=O)NCCc2cccc(OC)c2)c2ccccc21 5266441 IDIFVARUXWFAAS-UHFFFAOYSA-N 367.449 3.661 0 40 FHAB O=C(COc1cccc2ccc(N3CCCCC3)nc12)NCc1ccco1 17170541 HGYCLTFPWJIYLG-UHFFFAOYSA-N 365.433 3.513 0 40 FHAB Cc1ccc2nc(C)c(C(=O)N3CCN(c4ccc(O)cc4)CC3)cc2c1 20601841 XELNRAUMRVXXQK-UHFFFAOYSA-N 361.445 3.520 0 40 FHAB COc1ccc(SCCC(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 10219597 WKVINJKTPIWKDB-UHFFFAOYSA-N 370.430 3.661 0 40 FHAB CCOc1cc2c(cc1NC(=O)CCc1ccc3c(c1)OCO3)O[C@@H](C)C2 32848103 MJMAKISMKDYGTG-ZDUSSCGKSA-N 369.417 3.709 0 40 FHAB Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 30057671 MKBYAVNLOGYVBV-UHFFFAOYSA-N 371.702 3.749 0 40 FHAB CN(CC(=O)NCC1(c2ccccc2)CCCCC1)C(=O)c1ccccc1 40082683 FSFPFCVWILQOOB-UHFFFAOYSA-N 364.489 3.777 0 40 FHAB O=C(Nc1cccc2cnccc12)c1nc(N2CCCCC2)ncc1Cl 40140120 KJPBKSSFUMPAJR-UHFFFAOYSA-N 367.840 3.921 0 40 FHAB Cc1c(Cl)cccc1-n1nnnc1[C@H]1c2ccccc2CC(C)(C)N1C 20478006 UCDQYIIWFBHUAY-GOSISDBHSA-N 367.884 3.980 0 40 FHAB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(OC(=O)c4cccs4)c3)C(=O)[C@@H]2C1 102089033 MKLNZEWINHIHFL-UHOFOFEASA-N 369.442 3.893 0 40 FHAB O=C([C@@H]1Cc2ccccc2S1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 32882919 WJSVSQNNHJUZLY-BEFAXECRSA-N 363.486 3.986 0 40 FHAB COc1cccc(-n2ccnc2SCC(=O)N2[C@H](C)CCC[C@H]2C)c1 32885304 SJLFVJBSAFHXGM-HUUCEWRRSA-N 359.495 3.763 0 40 FHAB CCN(CC)[C@@H](CNC(=O)/C=C/c1ccc(OC)cc1)c1ccccc1 32902444 FRGJPJSKAOOHCX-WMJZSHNHSA-N 352.478 3.908 0 40 FHAB O=C(NC[C@H]1CCOC1)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 52807468 YKWYNRAILORMJW-CQSZACIVSA-N 373.884 3.561 0 40 FHAB Cc1ccccc1NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 654553 JPTISRDKDZEMBC-UHFFFAOYSA-N 368.458 3.553 0 40 FHAB COc1cccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c1OC(C)C 661012 PQBVPWUQUSHMJN-ATVHPVEESA-N 366.417 3.575 0 40 FHAB CCc1ccccc1N(CC(=O)Nc1ccc(C(C)C)cc1)S(C)(=O)=O 662091 VLTSVCZIQHEUOI-UHFFFAOYSA-N 374.506 3.777 0 40 FHAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccnc3)C(=O)[C@@H]12 714843 CIEPKKMXGPILDI-YQORSWRPSA-N 366.420 3.652 0 40 FHAB CCOc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1 814024 FJYMISVGWPDVBQ-UHFFFAOYSA-N 355.419 3.906 0 40 FHAB CCC(=O)N(CCN(Cc1ccccc1)C(=O)CC)Cc1ccccc1 2131983 LYYFKAULYLROCW-UHFFFAOYSA-N 352.478 3.864 0 40 FHAB CC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1Cc1ccccc1 2622476 JYIKGQCKZSZFOU-UHFFFAOYSA-N 358.488 3.804 0 40 FHAB O=C(OCC(=O)N1CCc2ccccc21)C(c1ccccc1)c1ccccc1 2633397 CJRLHTUXXJSUHV-UHFFFAOYSA-N 371.436 3.951 0 40 FHAB Cc1c(Br)c(C(F)F)nn1CC(=O)N1[C@@H](C)CCC[C@H]1C 2778486 QDMYBVIRZVFQMJ-DTORHVGOSA-N 364.234 3.681 0 40 FHAB CC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2ccc(Cl)cc2)cc1 3398017 OFRSYACTXJNECW-NYYWCZLTSA-N 357.793 3.738 0 40 FHAB Cc1ccccc1-c1nnc(NC(=O)c2cc3ccccc3oc2=O)s1 4087700 XIPQDVAAXKKXPF-UHFFFAOYSA-N 363.398 3.872 0 40 FHAB Cc1c(CC(=O)NC2CC2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 4089911 BPEPOSALOMOUFX-UHFFFAOYSA-N 365.429 3.856 0 40 FHAB biogenic O=C(NCCCCNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 4405281 STTPXTHTDAUDAC-UHFFFAOYSA-N 365.260 3.933 0 40 FHAB O=C1OC(c2ccccc2)=N/C1=C\c1ccc(OC(=O)c2ccco2)cc1 4825443 VJQCGMIRQNHCCL-LGMDPLHJSA-N 359.337 3.843 0 40 FHAB CCOC(=O)[C@@H](CC)Sc1nnc(NC(=O)Nc2ccccc2)s1 4851579 OFTJMWSNACDESW-LLVKDONJSA-N 366.468 3.616 0 40 FHAB O=C(CSc1nnc2scc(-c3ccccc3)n12)N1CCCCC1 4967175 QRSOXHCYEFOGCK-UHFFFAOYSA-N 358.492 3.562 0 40 FHAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)cc1C 5021682 JVKMSLSLXVBSFH-UHFFFAOYSA-N 365.458 3.785 0 40 FHAB CCc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 5635981 RAZORFKNRXWDHE-UHFFFAOYSA-N 372.490 3.676 0 40 FHAB COc1ccc(-c2nnc(SCCOc3ccccc3F)n2C)cc1 6078356 NAGYVUNMMRQZMH-UHFFFAOYSA-N 359.426 3.801 0 40 FHAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2cccc(OC)c2OC)N3)C1 6594377 VKXXJVCPAPHWCH-KRWDZBQOSA-N 373.478 3.572 0 40 FHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(-c2ccccc2)cc1 6648232 CEBWJSXZIYFIML-UHFFFAOYSA-N 369.424 3.862 0 40 FHAB CCCOc1ccc(Br)cc1/C=C1/SC(=O)N(C)C1=O 6941489 NVOWLRFIZMNOFJ-XYOKQWHBSA-N 356.241 3.904 0 40 FHAB O=C(COC(=O)CSc1ccc(Cl)cc1)Nc1ccc(F)c(F)c1 6948244 MMSLRPHPWWRNOT-UHFFFAOYSA-N 371.792 3.892 0 40 FHAB COc1ccc(Br)cc1S(=O)(=O)Nc1cccc(C)c1C 7053082 LDGMSTGGBLGBDN-UHFFFAOYSA-N 370.268 3.875 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)N2c3ccccc3C[C@@H]2C)o1 7195742 DYJRKTULONFADD-NSHDSACASA-N 355.419 3.708 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Oc2ccc3c(C)cc(=O)oc3c2)c1C 7549925 NHGQKGVQFIRFAI-CQSZACIVSA-N 367.401 3.899 0 40 FHAB COc1ccc(CCNC(=O)c2cc3ccccc3cc2OC)cc1OC 8115573 ZVRVVZIGHYKVAD-UHFFFAOYSA-N 365.429 3.838 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)CN2CCC[C@@H]2c2cccs2)c1 8319936 VSXSBUGMJXYLHB-MRXNPFEDSA-N 358.463 3.619 0 40 FHAB CCOc1ncccc1C(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C 9531242 MLQSDNVQFHIQTD-LJQANCHMSA-N 370.449 3.769 0 40 FHAB CSc1ccc(S(=O)(=O)N(C)c2ccc(N3CCCC3)cc2)cc1 10113765 BOLHMMLVTNBIJD-UHFFFAOYSA-N 362.520 3.834 0 40 FHAB Cc1cc2nc([C@@H]3CCCN(CC[C@@H](C)c4ccccc4)C3)cc(N)n2n1 12185932 UVGASQWPSILMPX-VQIMIIECSA-N 363.509 3.993 0 40 FHAB CCCC(=O)N1CCC[C@@H]1c1cc2nc(CC)cc(C(F)(F)F)n2n1 12230518 SMLJXOAZKRLZMG-CYBMUJFWSA-N 354.376 3.774 0 40 FHAB C[C@H]1CCCN(C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)C(C)(C)C)C1 12291609 ZPEYWJQWUCUFET-OXJNMPFZSA-N 358.526 3.777 0 40 FHAB CCOc1ccc(NCc2cc3cc(OC)ccc3[nH]c2=O)c(OCC)c1 13561592 VOZKFMGLDWDSJW-UHFFFAOYSA-N 368.433 3.946 0 40 FHAB CN(C)C(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 13626654 UXKZCRMHCCLOGN-UHFFFAOYSA-N 367.232 3.713 0 40 FHAB CCn1c(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)nc2ccccc21 14508206 VKIYVYMODUKVKW-HNNXBMFYSA-N 362.433 3.586 0 40 FHAB CCn1nnc(NCc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)n1 15356928 YETHRZCTPHFNIN-UHFFFAOYSA-N 373.844 3.546 0 40 FHAB COc1ccc(C)cc1S(=O)(=O)N1CCc2cc3cccc(C)c3nc21 15842075 IBATXGDPQXTQRR-UHFFFAOYSA-N 368.458 3.612 0 40 FHAB Cc1cc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@H]2C)c(C)n1Cc1ccco1 16685154 GQZQMRMPWPNCLR-GASCZTMLSA-N 372.465 3.693 0 40 FHAB COc1ccc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)cc1OC 16693369 AOSUEOVIBPSHNJ-SXGWCWSVSA-N 357.387 3.650 0 40 FHAB Cc1ccc([C@@H]2CCCN2C(=O)c2cc(-c3cnn(C)c3C)on2)cc1C 19213845 QGWOPDACFZYRMP-IBGZPJMESA-N 364.449 3.978 0 40 FHAB Cc1nc([C@@H]2CCCCN2C2CCCC2)nc2c1CCC(=O)N2CC1CC1 19740921 NYUAXFRXGAZFID-IBGZPJMESA-N 368.525 3.944 0 40 FHAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC 19936847 IVGFTCSPPQCYEW-UHFFFAOYSA-N 374.462 3.540 0 40 FHAB O=C1c2ccccc2C(=O)N1CCCN1CCC(Cc2ccccc2)CC1 20940277 OTFQIRZMEUIQOW-UHFFFAOYSA-N 362.473 3.627 0 40 FHAB COc1cc(OC)c(CNC[C@H](c2ccco2)N2CCCCC2)c(OC)c1 22024826 WXSMOZTUNBXGQH-GOSISDBHSA-N 374.481 3.622 0 40 FHAB O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(F)cc1Br 22390124 YLFNYQYPGGCTBX-UHFFFAOYSA-N 364.218 3.836 0 40 FHAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(C)CC2)cc1Cl 22795637 HWHJYDRBXYFHBB-IBGZPJMESA-N 357.885 3.576 0 40 FHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1nnc(C)o1)CC2 23873228 MVNNOKJQNKQRLL-OAQYLSRUSA-N 365.433 3.543 0 40 FHAB O=C(Cc1c(F)cccc1Cl)NCc1ccc(C(=O)N2CCCC2)cc1 24926204 RRBOMNHXVVADOU-UHFFFAOYSA-N 374.843 3.574 0 40 FHAB COc1cc(CNC[C@@H](c2cccc(F)c2)N(C)C)cc(Cl)c1OC 25360359 XYPSACOFKVOBHT-KRWDZBQOSA-N 366.864 3.889 0 40 FHAB Cc1nn(-c2ccccc2)c2sc(C(=O)NC[C@@H](C(C)C)N(C)C)cc12 25451467 CLDMWJAQNGWRDH-KRWDZBQOSA-N 370.522 3.711 0 40 FHAB COCc1ccc(C(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)cc1 25536808 ZRDKQCYOMGWNII-QFIPXVFZSA-N 366.505 3.646 0 40 FHAB CC(C)c1ccccc1O[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 30850392 PMGGGCCCMJPPSQ-SFHVURJKSA-N 352.478 3.926 0 40 FHAB Fc1ccc(-c2nn(-c3ccccc3)cc2CNC[C@@H]2CCCO2)cc1 32739814 RXGFIGVJUMBJPL-FQEVSTJZSA-N 351.425 3.947 0 40 FHAB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccc(C(N)=O)cc1 32816169 HIPYGLZSHXWNQG-MRXNPFEDSA-N 374.440 3.536 0 40 FHAB CNC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 32903270 QHGFPOYMFJIGSW-LBPRGKRZSA-N 361.829 3.806 0 40 FHAB COc1ccc2nc(NC(=O)c3c(Cl)nc4ccccn34)sc2c1 32906111 FVFREDBPDWNTPD-UHFFFAOYSA-N 358.810 3.858 0 40 FHAB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 35277655 FQHBPYBAAKXWNK-HOTGVXAUSA-N 369.440 3.503 0 40 FHAB COc1cc(C(=O)c2ccc(Br)cc2)cc(OC)c1OC 37358031 PSYUAKZRJWZJOY-UHFFFAOYSA-N 351.196 3.706 0 40 FHAB Cc1ccn2cc(CNC(=O)COc3ccc(C(C)(C)C)cc3)nc2c1 40157624 LPUANNXPESIIFA-UHFFFAOYSA-N 351.450 3.635 0 40 FHAB O=C(NCC1CCN(C(=O)c2ccccc2F)CC1)Nc1cccs1 44006815 WFGINLKGBXGLLU-UHFFFAOYSA-N 361.442 3.561 0 40 FHAB O=C(N[C@H](c1cccs1)C1CCCC1)[C@@H]1CCCN(c2cnccn2)C1 48272506 KCNYIRNQEGWYAP-APWZRJJASA-N 370.522 3.802 0 40 FHAB O=S(=O)(CCN1CCC[C@@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 48299634 LHYRPVNGEKXGCO-GOSISDBHSA-N 365.882 3.656 0 40 FHAB O[C@@H](CN1CCN(c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 51086265 UMGDPPKONSCUAP-SFHVURJKSA-N 350.384 3.561 0 40 FHAB O=C(COC(=O)c1cccc(Cl)c1)NCc1ccc(C(F)(F)F)cc1 51356161 JJEAHNVDHHQANP-UHFFFAOYSA-N 371.742 3.832 0 40 FHAB CC[C@@H]1c2ccsc2CCN1C(=O)NCc1ncc(C)c(OC)c1C 51755663 NVXZKAZAVGETAP-MRXNPFEDSA-N 359.495 3.988 0 40 FHAB Clc1ccc(-c2cc3ncnc(NCCN4CCOCC4)c3s2)cc1 57366874 BZEBPZOVQKDQAK-UHFFFAOYSA-N 374.897 3.756 0 40 FHAB Cc1ccc(-c2noc(-c3cccn3CC(=O)N3CCC(C)CC3)n2)cc1 57486849 RYGDJZGCXNXKAH-UHFFFAOYSA-N 364.449 3.772 0 40 FHAB NS(=O)(=O)c1ccc(-c2csc(-c3cccc(Cl)c3)n2)cc1 58158495 DKSGSIZTKDHNLN-UHFFFAOYSA-N 350.852 3.778 0 40 FHAB CCSCc1ccc(C(=O)Nc2ccn(Cc3ccccn3)n2)cc1 58193214 KUSBWGSFGOJCKG-UHFFFAOYSA-N 352.463 3.832 0 40 FHAB CCOC(=O)Nc1cccc(C(=O)N[C@H]2CCN(C3CCCCCC3)C2)c1 58244250 LDUSQIDIJTXIKQ-SFHVURJKSA-N 373.497 3.782 0 40 FHAB CC(C)C[C@@H](NC(=O)C[C@@H](NC(N)=O)c1cccs1)c1cccs1 58245077 QJZXUCWPSJMVKP-CHWSQXEVSA-N 365.524 3.813 0 40 FHAB C[C@@H](NC(=O)CN1CC[C@H](Nc2ccccc2)C1)c1ccccc1Cl 58289269 VBOKUNVRJAVPBT-WBVHZDCISA-N 357.885 3.704 0 40 FHAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@@H](Cc1ccccc1)C(=O)O 62715021 CHUZYRRQOAUCAT-DYLHUKMJSA-N 364.228 3.819 0 40 FHAB CC(C)n1c(CNC(=O)c2ccc(OC3CCCC3)cc2)n[nH]c1=S 66640565 UAIOUAFECABKJB-UHFFFAOYSA-N 360.483 3.773 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccc(Br)cc2)C1 67802698 WLTNTLZNFINQER-HNNXBMFYSA-N 369.303 3.938 0 40 FHAB O=C(Cc1coc2cc3c(cc12)CCC3)Nc1cc(C2CCOCC2)[nH]n1 72301358 WWNIFDILOLZKQA-UHFFFAOYSA-N 365.433 3.720 0 40 FHAB CC(=O)N1CCCC[C@@H]1Cc1c(C(=O)NC(C)C)sc2ccccc12 72370460 GXVCYMBNLNQQJE-OAHLLOKOSA-N 358.507 3.983 0 40 FHAB Cc1ccc(-c2nc(CC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)cs2)cc1 72404783 QAPUWSJJOIQFEX-UWJYYQICSA-N 370.518 3.815 0 40 FHAB COc1ccccc1-c1nc(CN2CCc3ccccc3[C@@H]2CO)cs1 79075045 GXASCMJWOIHTAQ-IBGZPJMESA-N 366.486 3.910 0 40 FHAB Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCC(Nc3cccnc3)CC2)c1 80497884 FDQDSQJUXWTYKS-SFHVURJKSA-N 366.509 3.916 0 40 FHAB CN(C)CCn1ccc2ccc(NC(=O)c3scnc3C3CC3)cc21 89813068 ZIOVTUAYYNDVOU-UHFFFAOYSA-N 354.479 3.789 0 40 FHAB CCN(CC)CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc(C)cc1 95116052 DOZHWDWTODHBFN-LJQANCHMSA-N 353.466 3.998 0 40 FHAB CC(=O)Nc1cccc(NC(=O)c2nn(CC(C)C)cc2C(F)F)c1 95447044 KNDMNIRCWUMXAT-UHFFFAOYSA-N 350.369 3.687 0 40 FHAB CCN1CCC[C@@H]1CNC(=O)C[C@@H](Cn1cccc1)c1ccc(Cl)cc1 95473629 UHJPXULDELKMGQ-AZUAARDMSA-N 373.928 3.916 0 40 FHAB COc1cccc(NC(=O)c2cc(C(C)C)nc(N3CCCCC3)n2)c1 96101114 ZAWRQNFJJTVJBH-UHFFFAOYSA-N 354.454 3.851 0 40 FHAB Fc1ccc(CNC[C@H]2Cn3cc(-c4ccccc4)nc3CO2)cc1F 96269380 JXOABHDCYOQXSU-INIZCTEOSA-N 355.388 3.517 0 40 FHAB biogenic,in-vitro COc1ccc(C(=O)NC[C@@](C)(OC)c2cccc(Cl)c2)cc1F 96392736 UEZVIPKYEZCFRZ-GOSISDBHSA-N 351.805 3.779 0 40 FHAB C[C@@H](NCC(=O)NCc1cccc(Cl)c1)c1nc2c(s1)CCCC2 97165645 FYLVPKCJTWWIAX-GFCCVEGCSA-N 363.914 3.642 0 40 FHAB O=C(c1n[nH]c2c1CCCC2)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 100166606 UNHMXHVVZWNFLA-IAGOWNOFSA-N 353.441 3.978 0 40 FHAB S=C(NC1CCCCC1)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1 100423155 VUYXYLCAUWDIDR-PMACEKPBSA-N 357.567 3.979 0 40 FHAB O=C(O)c1ccccc1[C@@H]1c2sc(=O)[nH]c2S[C@H]2[C@@H]3CC[C@H](C3)[C@@H]21 100972051 CVZSTKXZJGBVGW-CSPRDISMSA-N 359.472 3.787 0 40 FHAB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccco3)[C@H]2C1=O 101201537 GDRZUJHCHDPAKO-AABGKKOBSA-N 374.396 3.639 0 40 FHAB CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2ccccc2OC)cc1 219500748 AVMPQQLEMZBFAY-MRXNPFEDSA-N 357.450 3.610 0 40 FHAB CCOc1cccc(NC(=S)NCCc2ccc(OC)c(OC)c2)c1 225316589 UZNMAKKTIBOYGU-UHFFFAOYSA-N 360.479 3.632 0 40 FHAB CCCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)O[C@@H]1CCC[C@H]1C 245231836 JWQQUJWYUWFDMB-NRXGSXMXSA-N 372.465 3.835 0 40 FHAB Cc1ccc(Nc2nc([C@H]3CCCN(Cc4nccn4C)C3)cs2)nc1 257253598 JZNMMVWRFQTZHU-HNNXBMFYSA-N 368.510 3.703 0 40 FHAB COc1cccc(Cc2cnc([C@@]3(C)CCCN(C(=O)C4CCC4)C3)o2)c1 257293625 QQKJDNVYVBZJDM-QFIPXVFZSA-N 368.477 3.954 0 40 FHAB Cc1ncoc1C(=O)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257339458 ZBVFOIFCTOCPJC-HNNXBMFYSA-N 369.396 3.721 0 40 FHAB Cc1ncsc1CN1CCN(C)C[C@H](Cc2cccc3ncccc23)C1 257339763 ZDBVNCJEHIXHHG-KRWDZBQOSA-N 366.534 3.606 0 40 FHAB COc1ccc(C(=O)NC[C@@H](c2cc3ccccc3o2)N(C)C)cc1F 575620598 LEQIRMXUOBZMKI-INIZCTEOSA-N 356.397 3.613 0 40 FHAB CC[C@@]1(C)Oc2ccc(NC(=O)c3cc(C(F)(F)F)cnc3O)cc2O1 635838198 OLHFQTCEQXHGBK-INIZCTEOSA-N 368.311 3.956 0 40 FHAB Cc1ncc(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)cn1 1615122980 BRAVXYWOJGWYNE-NRFANRHFSA-N 368.456 3.588 0 40 FHAB C[C@@H](C(=O)Nc1ccccc1Cl)N1CCN(Cc2cccs2)CC1 22785779 GPVGUELSPWTPMS-AWEZNQCLSA-N 363.914 3.546 0 40 FHAB COc1ccc(C(=S)N2CCN(c3ccccc3C)CC2)cc1OC 1592277 SWHNHZMVSDFMCV-UHFFFAOYSA-N 356.491 3.510 0 40 FHAB CCC[C@H]1CO[C@](Cn2c[n+](CC)cn2)(c2ccc(Cl)cc2Cl)O1 896410 ZMIUUEUCMUEWIG-YOEHRIQHSA-N 371.288 3.566 0 40 FHAB Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(Cl)cc2)cc1C 3493223 RFIZZVQWUIHGOG-UHFFFAOYSA-N 373.869 3.663 0 40 FHAB Cc1nn(C(C)C)c(C)c1NC(=O)Nc1nnc(-c2ccccn2)s1 47791547 KBCFNUVHDRQVDL-UHFFFAOYSA-N 357.443 3.638 0 40 FHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1nnc(C)o1)CC2 23873227 MVNNOKJQNKQRLL-NRFANRHFSA-N 365.433 3.543 0 40 FHAB O=C(NC[C@H]1COc2ccccc2O1)C1c2ccccc2Oc2ccccc21 6260980 AUGGRKVMLAZNIK-HNNXBMFYSA-N 373.408 3.880 0 40 FHAB O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1ccc(Cl)c(Cl)c1 6805679 TWNQQAKTRGDEJK-AWEZNQCLSA-N 351.189 3.722 0 40 FHAB CCCCCOc1ccc(C(=O)O[C@@H](C)C(=O)NCc2ccco2)cc1 6915862 IWWYOKCOFCIITH-HNNXBMFYSA-N 359.422 3.710 0 40 FHAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc(C(C)C)cc2)cc1 24209443 WBJOMMIVOOGMPA-QFIPXVFZSA-N 366.505 3.922 0 40 FHAB CC[C@H](C)c1ccc(NC(=O)CN2CCN(c3ccccc3O)CC2)cc1 57363710 CYCRRJRQABRYAY-KRWDZBQOSA-N 367.493 3.666 0 40 FHAB Cc1cc(C)cc(OCC(=O)NCc2ccccc2CN2CCCC2)c1 8011851 KHLFMLBMWLVTQI-UHFFFAOYSA-N 352.478 3.594 0 40 FHAB C[C@@H](Sc1ccc2c(c1)OCCCO2)C(=O)Nc1ccc2c(c1)OCO2 8849990 SZQANQOBISINSJ-GFCCVEGCSA-N 373.430 3.696 0 40 FHAB CN1CCN(c2ccc(NC(=O)c3cccs3)c(C(F)(F)F)c2)CC1 44796638 ZLCFPIJBZJHFTB-UHFFFAOYSA-N 369.412 3.771 0 40 FHAB COC(=O)C1=C[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 100389809 FRSUFKJZLFSCBD-HTQZYQBOSA-N 356.847 3.931 0 40 FHAB COc1ccc(C(=O)n2c(C(=O)Nc3ccccc3)nc3ccccc32)cc1 28115735 JXKQEYXFHONSLZ-UHFFFAOYSA-N 371.396 3.986 0 40 FHAB Cc1cc(=O)n2c(n1)NC(Nc1ccccc1Cl)=N[C@H]2[C@H]1CC=CCC1 10385362 ZHCDPSMJMLARQF-SUMWQHHRSA-N 369.856 3.954 0 40 FHAB C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 58413037 HDJPORDKTVQRQB-XJKSGUPXSA-N 371.462 3.585 0 40 FHAB Cc1cc(CN(C)C(=O)Nc2cccc(-c3nc(C4CC4)no3)c2)no1 48278834 BIGVKFHBBQDQPB-UHFFFAOYSA-N 353.382 3.574 0 40 FHAB CC(=O)N[C@H](CC(=O)N(C)Cc1ccsc1)c1ccc(Cl)cc1 48248793 RBWORQRCARHHTF-MRXNPFEDSA-N 350.871 3.627 0 40 FHAB CN1C(=O)CC[C@@H](C(=O)Nc2cc(C3CCCC3)[nH]n2)[C@H]1c1ccccc1 172335965 UHQKNIVCCVXLMD-OXQOHEQNSA-N 366.465 3.616 0 40 FHAB CC(=O)Nc1ccc(SCC(=O)Nc2cccc3cccnc23)cc1 10780704 VJCNECCEAHKGEQ-UHFFFAOYSA-N 351.431 3.924 0 40 FHAB O=C(Nc1ccc(F)cc1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 11008571 YNTQWUGOCCWMJC-CQSZACIVSA-N 357.433 3.555 0 40 FHAB CC(=O)N[C@@H]1C(=O)N(CCOc2ccc3ccccc3c2)c2c(C)cccc21 100485593 MCUGKSBFHUSSIW-NRFANRHFSA-N 374.440 3.751 0 40 FHAB COc1ccc(C(=O)NC(=S)Nc2ccccc2C(C)C)c(OC)c1 59294306 HPZGGHUGVXLUNV-UHFFFAOYSA-N 358.463 3.954 0 40 FHAB Cc1ccc2nc(CSc3nc4cc(Cl)ccc4n3C)cc(=O)n2c1 48344516 WFVJPCDCPXMSDV-UHFFFAOYSA-N 370.865 3.835 0 40 FHAB C[C@H](NC(=O)C[C@@H]1C=CCC1)c1cc2c(cc1Br)OCCO2 48354810 WEZBOCCIDGBOEM-NWDGAFQWSA-N 366.255 3.754 0 40 FHAB COc1ccc(OCC(=O)Nc2nnc(SC)s2)c(C(C)(C)C)c1 27912624 PAWQZLAIZNAQOS-UHFFFAOYSA-N 367.496 3.584 0 40 FHAB O=C1COc2cc(C(=O)N[C@@H](c3ccccc3)c3cccs3)ccc2N1 12270291 PJADTXWTCUNYTF-IBGZPJMESA-N 364.426 3.598 0 40 FHAB CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1cccs1 3597722 CGZWIQWHIKYSSQ-QWHCGFSZSA-N 364.540 3.814 0 40 FHAB COc1ccc(CC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c(OC)c1 48660035 DYNNYPOHRSWAJG-HXUWFJFHSA-N 367.449 3.636 0 40 FHAB CN(C)c1cc(C(=O)Nc2ccc(-n3cccn3)cc2)c2ccccc2n1 95468808 TZMDKYKEKGFIQD-UHFFFAOYSA-N 357.417 3.739 0 40 FHAB Oc1ccccc1Nc1nnc(Cc2ccc(Cl)cc2Cl)c(O)n1 13721417 WYTFMYWEJVHDTJ-UHFFFAOYSA-N 363.204 3.924 0 40 FHAB COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c(F)c1 9254374 JXEVSRYIRXGNGZ-UHFFFAOYSA-N 372.377 3.939 0 40 FHAB Cc1ccc2c(C)c(CCC(=O)NCCOc3ccccc3)c(=O)oc2c1 14180836 SLFPHTIKYLBATH-UHFFFAOYSA-N 365.429 3.538 0 40 FHAB Cc1cc(Br)cc(Cl)c1OCC(=O)NCc1cccnc1 9367889 VIVZPPMYVZCQHC-UHFFFAOYSA-N 369.646 3.501 0 40 FHAB C[C@H](Sc1cccc[n+]1[O-])C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 5780178 BJUXXMWNBKVURX-MNOVXSKESA-N 371.289 3.985 0 40 FHAB Cn1ccnc1[C@H](NC(=O)/C=C/c1cccc(F)c1)c1ccccc1F 9335951 ARHAPRXRHMADFW-JBVUFVISSA-N 353.372 3.617 0 40 FHAB O=C(Nc1ccccc1C(=O)NCc1ccco1)c1cc(F)cc(F)c1 9450078 DFORKWPEGKWIOW-UHFFFAOYSA-N 356.328 3.740 0 40 FHAB CCCNC(=O)[C@H](C)SCCCC(=O)Nc1c(C)cc(C)cc1C 15492746 UMYLAUJKZHWVEA-INIZCTEOSA-N 350.528 3.978 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2Br)cc1 7306121 PXPVJHYECZZCRP-LBPRGKRZSA-N 354.269 3.797 0 40 FHAB CC(C)c1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 7612593 LXUFPKCTSYTTHJ-UHFFFAOYSA-N 358.463 3.738 0 40 FHAB COc1ccc(OCC(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cc1 7725419 PRFPSKMKUWGLDV-UHFFFAOYSA-N 365.433 3.789 0 40 FHAB O=C(c1cnn(-c2ccccc2F)c1)N(C[C@@H]1CCOC1)c1ccccc1 71844137 DLOTZBJDYGREAM-INIZCTEOSA-N 365.408 3.695 0 40 FHAB COc1cccc(CNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c1 8249068 SUBISYHCDNBVPG-UHFFFAOYSA-N 356.422 3.972 0 40 FHAB CCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1cccc(C(F)(F)F)c1 8323307 DEMCTKPGKBQHHI-CQSZACIVSA-N 356.344 3.581 0 40 FHAB Cc1ccc2c(C)c(CCC(=O)NCc3ccc(F)cc3)c(=O)oc2c1 8777822 NODZMGCJEOJWAC-UHFFFAOYSA-N 353.393 3.798 0 40 FHAB COc1ccccc1/C=C/C(=O)N1CCN(C(=O)OC(C)(C)C)CC1(C)C 72298160 YJDQMSZKSWCTSM-VAWYXSNFSA-N 374.481 3.566 0 40 FHAB COCc1ccc(C(=O)Nc2ccc(Oc3ccc4c(c3)OCO4)nc2)o1 72402084 ASUNOZCRXXYBHI-UHFFFAOYSA-N 368.345 3.594 0 40 FHAB Cc1csc(C2(NCC(=O)Nc3ccc(F)cc3Cl)CCC2)n1 95960375 BGBQIDNKBWRASU-UHFFFAOYSA-N 353.850 3.852 0 40 FHAB COC(=O)c1ccc(/C=C/C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 9900888 RVOYYSNNJLKDAI-DHZHZOJOSA-N 360.413 3.553 0 40 FHAB COc1ccc(CNC(=O)c2ccc(N3CCCCC3)cc2)cc1OC 22516659 HKKIFRKEKTZHHC-UHFFFAOYSA-N 354.450 3.624 0 40 FHAB O=C(/C=C/c1cc2ccccc2o1)N1CCC[C@H]1c1nnc2ccccn12 26078917 ZVKKZXNNYHIKHG-DVQDXYAYSA-N 358.401 3.852 0 40 FHAB CC(C)[C@H](NC(=O)c1cc(-c2ccco2)on1)c1ccc2c(c1)OCCO2 25574223 OPWRWWJXBAGYDS-IBGZPJMESA-N 368.389 3.833 0 40 FHAB CCN(CC)C(=O)COc1ccccc1-c1nc(-c2ccc(C)cc2)no1 64579646 WUJPUJZHNZWTEW-UHFFFAOYSA-N 365.433 3.959 0 40 FHAB CSc1nc(N2CCCCC2)c2cc(C(=O)NC(C)C)sc2n1 408623385 SWCVPCYXUTYUFV-UHFFFAOYSA-N 350.513 3.542 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 218974878 MNIOGZDGSAWALC-INIZCTEOSA-N 365.433 3.779 0 40 FHAB COc1ccc(S[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1 30873585 QSVRMCOPMUVREH-KRWDZBQOSA-N 370.518 3.520 0 40 FHAB O=C(/C=C/c1cccc(Cl)c1)OC[C@@H]1CN(Cc2ccccc2)CCO1 69890357 QEXIMWDOVDITEM-XTXLJPNXSA-N 371.864 3.797 0 40 FHAB O=C1c2cccn2[C@H]2CN(CCc3ccccc3)C[C@@H]2N1Cc1ccccc1 306137650 RCKKTKNZQWLFJP-GOTSBHOMSA-N 371.484 3.612 0 40 FHAB Cc1cccc(NC(=O)N2CCC(NC(=O)c3cccc(F)c3)CC2)c1 35289005 BTIXQOCRSQYCKX-UHFFFAOYSA-N 355.413 3.560 0 40 FHAB COc1ccc(S[C@@H](C)C(=O)NCCCc2ccccc2OC)cc1 30861247 LPGJAENTUVFKEQ-HNNXBMFYSA-N 359.491 3.933 0 40 FHAB COc1cccc(C(=O)N2CCC[C@H](c3nnc(-c4cccs4)o3)C2)c1 72390073 GHDVGOUYZSAABV-AWEZNQCLSA-N 369.446 3.827 0 40 FHAB O=C(CCc1nc2ccccc2s1)Nc1nnc([C@@H]2CCCO2)s1 71288478 DIDJPQBSELVHJG-NSHDSACASA-N 360.464 3.571 0 40 FHAB Cc1ccc(CS(=O)(=O)NCCOc2cccc3ccccc23)cc1 223540064 XUFRALQVCAGUFQ-UHFFFAOYSA-N 355.459 3.647 0 40 FHAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N1CCN(Cc2ccccc2)CC1 222950693 VODMYTXPRVQDQW-NRFANRHFSA-N 366.505 3.805 0 40 FHAB C[C@H]1CN(C(=O)CCCn2cc(-c3ccc(Cl)cc3)cn2)C[C@@H](C)O1 227154425 RPFPATMAFJOUOP-GASCZTMLSA-N 361.873 3.620 0 40 FHAB O=C(CCn1ncc2ccc(Cl)cc21)Nc1ccc(-n2cccn2)cc1 96181947 ASEPUBYSDZHKSJ-UHFFFAOYSA-N 365.824 3.904 0 40 FHAB CC(C)(C)c1ccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)cc1 243891245 RQDULYOOCJZSSE-UHFFFAOYSA-N 358.869 3.935 0 40 FHAB COc1ccc(C(=O)N2C[C@H]3[C@@H](Oc4ccc(Cl)cc4)CC[C@H]3C2)cn1 257316419 VFMSICBFNOZFTF-QGTPRVQTSA-N 372.852 3.673 0 40 FHAB Cc1csc(Nc2nccnc2[C@H]2CCCN(CC3CCOCC3)C2)n1 257274991 NNNJZLHEHPOQKT-INIZCTEOSA-N 373.526 3.591 0 40 FHAB O=C(Cc1ccc(Cl)cc1)N1CCCSC[C@H]1CN1CCCCC1 85473272 GHTZAUMCOLJBBC-GOSISDBHSA-N 366.958 3.703 0 40 FHAB Cc1nn(C)c(C)c1-c1nccnc1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 257322674 WGYIPNVVTLWGIX-HNNXBMFYSA-N 371.485 3.608 0 40 FHAB Cc1cc(C)n(-c2ccc(N3CCC[C@@H](c4ccc(F)c(F)c4)C3)nn2)n1 624446534 PJEWRLMJFHGRGG-MRXNPFEDSA-N 369.419 3.941 0 40 FHAB CC(=O)Nc1ccc(C(=O)NCc2cccc(Oc3ccccn3)c2)cc1 96382554 FQPFVWIZYFSHGI-UHFFFAOYSA-N 361.401 3.762 0 40 FHAB CN(C)Cc1cc(CNC(=O)c2ccc(Br)cc2)ccc1F 78735144 BFHCGTSKEUXNAG-UHFFFAOYSA-N 365.246 3.580 0 40 FHAB CCCOc1ccccc1/C=C1/N=C(c2ccc(NC(C)=O)cc2)OC1=O 2054847 UYHKSHALXRGXFR-QGOAFFKASA-N 364.401 3.778 0 40 FHAB CN1C(=O)N/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C1=O 8091602 CRSSEIFNNXJBIM-DEDYPNTBSA-N 358.397 3.941 0 40 FHAB CSc1nc2ccccc2n1CC(=O)N[C@@H]1CCCc2ccccc21 5186735 XEDGANZGPZOPPQ-MRXNPFEDSA-N 351.475 3.952 0 40 FHAB Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)[nH]n2)o1 12116100 JTCJUHDKTLGTON-KRWDZBQOSA-N 361.405 3.832 0 40 FHAB CCOc1ccc2[nH]c(C(=O)N(C)Cc3n[nH]c4c3CCCC4)c(C)c2c1 12143813 PBLGUHFBQZKQFO-UHFFFAOYSA-N 366.465 3.749 0 40 FHAB CC[C@H]1c2ccc(C)n2CCN1C(=O)c1cc2ccc(OC)cc2n1C 12148693 HSGHRKGFXIGTCX-KRWDZBQOSA-N 351.450 3.904 0 40 FHAB CSc1ccc(CN2C[C@@H]3[C@@H](CC[C@@]3(O)c3ccc(C)cn3)C2)cc1 12223259 KIZGMUIHFLQCPD-DSKINZAPSA-N 354.519 3.842 0 40 FHAB NC(=O)c1cc2ccccc2nc1[C@@H]1CCCN(C(=O)C2CCCCC2)C1 12255432 JTFWFIYSLRFRIF-QGZVFWFLSA-N 365.477 3.620 0 40 FHAB Cc1ccc(N2C[C@H](c3nc(-c4ccccn4)no3)CC2=O)cc1Cl 12414367 PKAYLOSUDGGVEB-GFCCVEGCSA-N 354.797 3.614 0 40 FHAB CN(C)CCCN(C(=O)c1ccno1)c1nc2ccc(Cl)cc2s1 12443807 NRLZTLTUUKSQAN-UHFFFAOYSA-N 364.858 3.536 0 40 FHAB COc1ccc(-c2noc(CN3c4ccccc4C[C@@H]3C)n2)cc1OC 12527336 ZERSXCNKUPKGSM-ZDUSSCGKSA-N 351.406 3.705 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)cc1 12788325 UUOKNZZTCWLDSZ-HNNXBMFYSA-N 374.506 3.883 0 40 FHAB COc1ccc(CN(C)C(=O)COc2cccc3ccccc23)cc1OC 15440175 FIKCHQLFZSLQLL-UHFFFAOYSA-N 365.429 3.894 0 40 FHAB COc1ccc(-c2cc(CC(=O)N[C@@H]3CCCC[C@@H]3C)no2)cc1OC 13574374 OZGGLQLZOPLNDY-XJKSGUPXSA-N 358.438 3.596 0 40 FHAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1F 7402764 CVRRCYWWFRWYOI-UHFFFAOYSA-N 374.231 3.788 0 40 FHAB CCNC(=O)C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 23145394 NJQXTJUINXISLE-UHFFFAOYSA-N 366.490 3.711 0 40 FHAB O=C(COc1ccccc1)Nc1ccc(-c2cn3c(n2)SCC3)cc1 5083886 OUEWAFQLKKPYAM-UHFFFAOYSA-N 351.431 3.673 0 40 FHAB CCc1ccc2nc(N3CCN(C(=O)c4ccc(F)cc4)CC3)sc2c1 5180974 ZCUHNHHMBKDQFM-UHFFFAOYSA-N 369.465 3.960 0 40 FHAB Cc1cccc(NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)n1 5269931 UYDGGYBOEFZDAY-UHFFFAOYSA-N 353.809 3.506 0 40 FHAB O=C1CCCN1c1cccc(NS(=O)(=O)c2cccc3ccccc23)c1 5329508 OUHOENLXCSWNOJ-UHFFFAOYSA-N 366.442 3.767 0 40 FHAB Nc1cccc(OCC(=O)Nc2ccc(Br)cc2Cl)c1 38055052 QWHOIBWJELGBAX-UHFFFAOYSA-N 355.619 3.702 0 40 FHAB Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccc(CN(C)C)cc1 40040475 ROUNBKYXPBGXAO-UHFFFAOYSA-N 363.461 3.571 0 40 FHAB O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1)N1CCOCC1 40073375 HANPZIXOKOBBKE-UHFFFAOYSA-N 366.248 3.529 0 40 FHAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H](C)n1cnc2ccccc21)CC3 30647323 LNUVPHUCVJIDOR-HNNXBMFYSA-N 358.445 3.972 0 40 FHAB COc1ccc(-c2nc(CSCC(=O)NCc3cccs3)co2)cc1 31424526 MVZMFTZGJXWFFI-UHFFFAOYSA-N 374.487 3.961 0 40 FHAB C[C@@H](NC(=O)c1ccc(Cn2cccn2)o1)c1ccccc1Br 32913085 YLDRBKWMNOXTSS-GFCCVEGCSA-N 374.238 3.778 0 40 FHAB Cc1ccccc1C(=O)NCc1ccc(C(=O)N2CCCCCC2)cc1 32914734 GTZLVYGGCPDXTD-UHFFFAOYSA-N 350.462 3.941 0 40 FHAB O=C(NCC1(c2ccccc2)CC1)c1cnn2c(-c3cccs3)ccnc12 32920857 TZHXPCCVYFMFTH-UHFFFAOYSA-N 374.469 3.919 0 40 FHAB O=C(NCC1CCCC1)c1cn(Cc2ccccc2)nc1-c1cccnc1 33054551 FUFGPQAQRWTPMK-UHFFFAOYSA-N 360.461 3.913 0 40 FHAB CN(Cc1ccc(OC(F)F)cc1)C(=O)C(=O)Nc1ccc(Cl)cc1 52837412 YAEXKERJQKTTPT-UHFFFAOYSA-N 368.767 3.539 0 40 FHAB CCOC(=O)c1sc2nc3c(cc2c1NC(=O)N1CCCC1)CCC3 8993259 LOEGJFHIVATYTN-UHFFFAOYSA-N 359.451 3.589 0 40 FHAB CCOC(=O)C[C@H](c1cccc(Cl)c1)c1c(O)[nH]c2ccccc2c1=O 72403162 WYGFBOARBXYUMK-OAHLLOKOSA-N 371.820 3.972 0 40 FHAB Cn1c2ccccc2c2cc(/C=C(\NC(=O)c3ccccc3)C(N)=O)ccc21 12436879 FRDMPBRKCHGIGO-RGEXLXHISA-N 369.424 3.588 0 40 FHAB COc1ccc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)cc1 1265581 DNDFTKVGBYZNHU-UHFFFAOYSA-N 361.423 3.571 0 40 FHAB C[C@@H](CC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl)c1ccncc1 79092856 BVAHXFHFOWHZLR-ZBEGNZNMSA-N 353.249 3.732 0 40 FHAB Cc1ccc(OCCSc2nc(NC(C)C)nc(NC(C)C)n2)cc1 2183427 LHMCRDKWPIDZSX-UHFFFAOYSA-N 361.515 3.992 0 40 FHAB Cc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)C[C@H](C)CC4 975904 CXJWGAMGDYAHPZ-LLVKDONJSA-N 350.447 3.528 0 40 FHAB Cc1cc(C)c(NC(=O)Cn2cnc3sc4c(c3c2=O)CCC4)c(C)c1 6111354 GSEZZHVFUKNGHB-UHFFFAOYSA-N 367.474 3.511 0 40 FHAB CC(=O)Nc1ccc(-c2nnc(SCc3ccc(C(=O)O)cc3)o2)cc1 7605225 OWOGWZLNZROJMI-UHFFFAOYSA-N 369.402 3.686 0 40 FHAB Cc1noc(C)c1CC(=O)Nc1cccc(NC(=O)c2cccs2)c1 24028788 KFMMPPYNISVVDF-UHFFFAOYSA-N 355.419 3.786 0 40 FHAB COc1cc(NC(=O)c2ccc(N3CCCC3=O)cc2)c(OC)cc1Cl 8313666 YBAXUQDOCONOKJ-UHFFFAOYSA-N 374.824 3.736 0 40 FHAB c1ccc(CCN2CCC[C@]3(C[C@@H](CNc4nccs4)CO3)C2)cc1 107790682 ODTCPRFBVSPXNF-ICSRJNTNSA-N 357.523 3.669 0 40 FHAB Cc1cc(S(=O)(=O)NC2CCCCCCC2)ccc1N1CCCC1=O 20451441 NPBJOVWISWGMMF-UHFFFAOYSA-N 364.511 3.513 0 40 FHAB COc1ccc(CNC(=O)CCc2nc3ccccc3s2)cc1OC 3291884 UYZQDFLYGJAOOS-UHFFFAOYSA-N 356.447 3.563 0 40 FHAB CC(C)Cn1ncc2cc(C(=O)Nc3nc(C(F)(F)F)cs3)cnc21 58218085 UQSLDMVBRBXWMX-UHFFFAOYSA-N 369.372 3.815 0 40 FHAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21 105632663 OMQIGGFEMPAXNV-RRCSTGOVSA-N 358.235 3.707 0 40 FHAB CC(C)CN1CCC(NC(=O)N[C@@H]2CCSc3ccc(F)cc32)CC1 45233601 IOBQKYOUIHYHFR-QGZVFWFLSA-N 365.518 3.782 0 40 FHAB COc1ccc([C@@H](C)NC(=O)c2ccc(-c3nc(C)no3)cc2)c(OC)c1 45242500 APRXKBLCJXOIEN-GFCCVEGCSA-N 367.405 3.553 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(Cc2ccccc2)CC1 12795860 REMFJQOWPVOEFN-UHFFFAOYSA-N 363.436 3.640 0 40 FHAB CC(C)[C@@H](NC(=O)CCCNC(=O)NC1CCCCC1)c1cccs1 12747374 ZPFHCBLUSQDHII-GOSISDBHSA-N 365.543 3.974 0 40 FHAB O=C(CCc1nc2ccccc2s1)N1CCN(Cc2ccccc2)CC1 21005219 IQKHGBBZCRQZKT-UHFFFAOYSA-N 365.502 3.573 0 40 FHAB CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccccc1F 2353268 XIZNSFXRIZPNEQ-UHFFFAOYSA-N 374.416 3.974 0 40 FHAB Cc1sc2ncnc(SCC(=O)N3CCc4ccccc4C3)c2c1C 3341356 FVRSGRWTFRZSJV-UHFFFAOYSA-N 369.515 3.985 0 40 FHAB CCOc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1 11708908 SSTUQSLGPORMAL-HZPDHXFCSA-N 355.482 3.829 0 40 FHAB Cc1cc(-c2csc(CCN3CCOC3=O)n2)c(C)n1-c1nccs1 48366285 DYIFNYSNAFATOV-UHFFFAOYSA-N 374.491 3.669 0 40 FHAB CN(CCCNC(=O)COc1cccc(C(F)(F)F)c1)c1ccccc1 69268339 GYWRELZXODQMAE-UHFFFAOYSA-N 366.383 3.727 0 40 FHAB C[C@@H](NC(=O)c1ccccc1S(C)(=O)=O)c1ccc(Cl)cc1Cl 22926190 JSRAHPFIGBDZJA-SNVBAGLBSA-N 372.273 3.888 0 40 FHAB O=C(c1ccc(F)cc1)c1ccc(Oc2nnnn2-c2ccccc2)cc1 3445868 PFGORZKZZBOGNI-UHFFFAOYSA-N 360.348 3.825 0 40 FHAB COc1ccc(C(=O)COc2ccc(Br)cc2F)c(OC)c1 3404304 UXGDTOXXIQDLHB-UHFFFAOYSA-N 369.186 3.867 0 40 FHAB Cc1nc(-c2ccc(CNC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)o2)cs1 12915175 IOBLVUYUQMCDLS-KRWDZBQOSA-N 374.849 3.985 0 40 FHAB CCOc1cc2c(cc1NC(=O)c1cc(=O)[nH]c3ccccc13)O[C@H](C)C2 12914956 PAEQNSCCRGKTAG-GFCCVEGCSA-N 364.401 3.503 0 40 FHAB O=C(NCc1ccc2c(c1)OCCCO2)c1ccc(Br)cc1 64986963 YNULMMPRNXXCHB-UHFFFAOYSA-N 362.223 3.540 0 40 FHAB C[C@@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1cc2ccccc2o1 12934522 VAIFFLDFBBXDIN-ABAIWWIYSA-N 352.365 3.875 0 40 FHAB COc1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1OC 13000351 FMAYDIDRYIJCQK-UHFFFAOYSA-N 351.402 3.666 0 40 FHAB COc1cccc(C2=NO[C@@H](C(=O)Nc3ccccc3C(F)(F)F)C2)c1 5029376 XHNGVYIHXNGZRW-MRXNPFEDSA-N 364.323 3.846 0 40 FHAB CN(C)C(=O)[C@H](Sc1nccn1-c1cccc(F)c1)c1ccccc1 5185682 PYEXTPILABJZCO-QGZVFWFLSA-N 355.438 3.933 0 40 FHAB COc1ccc(OCCCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1 14095429 AREJIJAUHMMBBA-UHFFFAOYSA-N 367.401 3.908 0 40 FHAB O=C(CSCc1nc2ccccc2s1)NCc1ccc2c(c1)OCO2 14021862 MKTDXNFWZYQMKX-UHFFFAOYSA-N 372.471 3.575 0 40 FHAB Cc1cccc(N(Cc2ccccc2)C(=O)c2nc3nc(C)cc(C)n3n2)c1 6605808 UBSLOOGTZRYGQN-UHFFFAOYSA-N 371.444 3.897 0 40 FHAB O[C@@H](COc1ccc2ccccc2c1)CSc1nnc2n1CCCCC2 66237624 KWCYXPAVEFOYBT-KRWDZBQOSA-N 369.490 3.690 0 40 FHAB Cc1c(F)cc(C(N)=O)cc1NC(=O)c1cnc(-c2cccs2)s1 66313128 LQEYJNYGXUEQRG-UHFFFAOYSA-N 361.423 3.670 0 40 FHAB COc1ccc(CN(C)C(=O)CN2CC=C(c3ccccc3)CC2)cc1F 9377550 PVJJUPHTGPIAMT-UHFFFAOYSA-N 368.452 3.582 0 40 FHAB COC(=O)c1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2cc(F)ccc2F)C(=O)N1 4852887 ILGAOPRKZGSNDU-AUUYWEPGSA-N 374.343 3.521 0 40 FHAB Cc1cccn2c(=O)c3cc(C(=O)N[C@H]4CCCC[C@H]4C)sc3nc12 6861296 WVOJMJPXIGLIFK-RISCZKNCSA-N 355.463 3.526 0 40 FHAB C[C@H]1CCCN(CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)C1 7063607 SQIMUUIAXVLXJI-INIZCTEOSA-N 354.498 3.840 0 40 FHAB O=C(OCc1nnc(-c2ccc(Br)s2)o1)c1ccsc1 7547124 KURKYPRXFHKRAR-UHFFFAOYSA-N 371.237 3.979 0 40 FHAB Cc1cc(C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)no1 7718881 AKEQJEBXYZSGKA-UHFFFAOYSA-N 356.403 3.663 0 40 FHAB O=C(CCNC(=O)c1ccccc1Cl)N[C@@H]1CCSc2ccccc21 7814063 QSUWGSXQTGMENM-MRXNPFEDSA-N 374.893 3.813 0 40 FHAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cc1ccc(Cl)c(Cl)c1 8278926 YCCIFHUGCKBZCO-GOSISDBHSA-N 361.228 3.887 0 40 FHAB CC(=O)Nc1ccccc1OCC(=O)Nc1ccccc1SC(F)F 8718168 IYWQDFCTCNAIIV-UHFFFAOYSA-N 366.389 3.977 0 40 FHAB O=C(NC[C@H]1CCCO1)Nc1ccc(N2CCc3sccc3C2)cc1 72055433 UCVRCONDWQSPLG-QGZVFWFLSA-N 357.479 3.611 0 40 FHAB Cc1nc2cc(C(=O)Nc3ccc(Oc4ncccn4)cc3)ccc2n1C 84287064 DOUXVXBNMFKTIH-UHFFFAOYSA-N 359.389 3.716 0 40 FHAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2cccc(C)c2O)c1 72313303 ATBGQEOOOZYJCK-UHFFFAOYSA-N 354.435 3.569 0 40 FHAB Cc1nc(-c2cccs2)ccc1C(=O)Nc1ccc(CNC(N)=O)cc1 89537071 UJTHUDCFDDYSBX-UHFFFAOYSA-N 366.446 3.539 0 40 FHAB CC[C@@H](C[C@H](C)CO)NC(=O)C(C)(C)c1ccc(Br)cc1 89942973 JXGOHLUMESZQTG-WFASDCNBSA-N 356.304 3.640 0 40 FHAB CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1cc(C)no1 23076492 GAVUGTHKEYAPGM-BDJLRTHQSA-N 364.829 3.524 0 40 FHAB CCOc1cc(CNCCN(CC)CC)cc(Br)c1OCC 22076033 SGQQPMDVVPLMIW-UHFFFAOYSA-N 373.335 3.678 0 40 FHAB COc1ccc(OC)c2nc3c(cc12)CN(Cc1ccccc1)CCO3 72392271 GANOGIUQHJHKSM-UHFFFAOYSA-N 350.418 3.647 0 40 FHAB CCc1ccc(OCC(=O)N[C@H](CC)c2ccc(OC)c(OC)c2)cc1 218957534 GEXGGOSBYWZVIU-GOSISDBHSA-N 357.450 3.913 0 40 FHAB Fc1ccccc1Oc1cncc([C@H]2CCCN(Cc3ncc[nH]3)C2)n1 72362999 WYQSIBXTEVDMRM-AWEZNQCLSA-N 353.401 3.511 0 40 FHAB CC(C)(C)OC(=O)N1CCC(NCc2cccc(Br)c2)CC1 35942496 VUVQLTINLBNMJM-UHFFFAOYSA-N 369.303 3.938 0 40 FHAB O=C(NCC[C@H]1CCOC1)N1Cc2ccccc2C[C@@H]1c1ccccc1 544332206 KGIZJBIVVRYKMY-LAUBAEHRSA-N 350.462 3.922 0 40 FHAB COc1ccc(C[C@@H](N[C@H]2CC[C@H](O)CC2)c2ccc(OC)cc2)cc1 560906062 BVGAFASPVVVAJN-WOIUINJBSA-N 355.478 3.881 0 40 FHAB C[C@@H](SCc1ccccc1)C(=O)NCc1ccc(-n2ccnc2)cc1 38755650 IZAUDNJHVGQDRI-MRXNPFEDSA-N 351.475 3.810 0 40 FHAB COc1cc(CNC(=O)C2(c3ccccc3)CCCC2)cc(OC)c1OC 32414288 NEFQYQGWDSGCNL-UHFFFAOYSA-N 369.461 3.841 0 40 FHAB Cc1c([C@@H]2SCC(O)=Nc3c2c(O)nn3C2CCCCC2)cnn1C 79490196 UKGHXXVCISFPST-HNNXBMFYSA-N 361.471 3.560 0 40 FHAB Cc1nc([C@]2(O)CCCNCC2)sc1CCOc1ccc(Cl)cc1 72343617 UNQKUKZBQQTPTL-SFHVURJKSA-N 366.914 3.688 0 40 FHAB Cc1csc(-c2cccc(NC(=O)N3CC[C@H](c4n[nH]c(C)n4)C3)c2)n1 572616701 ZUPWGHSRRSNRFW-AWEZNQCLSA-N 368.466 3.566 0 40 FHAB Cc1noc(C)c1CC(=O)Nc1ccccc1NC(=O)c1ccccc1F 44224960 YDMWDQWAZCGAHA-UHFFFAOYSA-N 367.380 3.864 0 40 FHAB CCCC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC 225618608 RZFHQTITCCAMIW-IBGZPJMESA-N 372.896 3.826 0 40 FHAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCOc1cccc2ccccc12 223507985 TYRRYBPKNXSZEI-PKNBQFBNSA-N 361.397 3.777 0 40 FHAB CC[C@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(OC)c(C)c1 224714413 FSNDRAVDERQNMQ-SFHVURJKSA-N 369.461 3.975 0 40 FHAB Cc1ccc(C)c(OCCNS(=O)(=O)c2cc(Cl)ccc2Cl)c1 224003291 YBHREDKPYIXCEZ-UHFFFAOYSA-N 374.289 3.968 0 40 FHAB Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3c(C)nn(C)c3C)n[nH]2)cc1 519205443 BICGPENNPWQUEU-IBGZPJMESA-N 363.465 3.713 0 40 FHAB Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)CC(C)(C)C)C2=O)cc1 97986021 HYVHGRQEYMWJGB-RVDMUPIBSA-N 360.479 3.584 0 40 FHAB COc1ccc(CN2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)cc1 96057069 KDSCUESDDWYUPH-IFMALSPDSA-N 368.477 3.540 0 40 FHAB CCOC(C(=O)O[C@@H]1CCCC[C@@H]1O)(c1ccccc1)c1ccccc1 96509994 ULEOWLNJKYHOSZ-VQTJNVASSA-N 354.446 3.813 0 40 FHAB CC(=O)c1ccc(NC(=O)c2cc(C(C)C)nc(N3CCCC3)n2)cc1 96101256 TUOYKKPERCWTQY-UHFFFAOYSA-N 352.438 3.655 0 40 FHAB CC(C)c1cc(C(=O)N2CCC[C@@H]2c2cncc(CN(C)C)n2)cs1 257237146 HFILWLIAARGSPK-QGZVFWFLSA-N 358.511 3.700 0 40 FHAB O=C(c1cn(Cc2ccccc2)nn1)N1CCCCc2cc(Cl)ccc21 622960565 ULUBFSDJDKQXPQ-UHFFFAOYSA-N 366.852 3.963 0 40 FHAB CC1=CC(C)(C)N2C(=O)[C@](O)([C@H]3CC[C@H](C)CC3=O)c3cc(F)cc1c32 1740816806 VTUGJZCQRMESKN-XTNUZHGASA-N 357.425 3.561 0 40 FHAB O=C1CC[C@@]2(CCCN(Cc3cccnc3)CC2)N1Cc1ccc(F)cc1 585100552 NHKPEQDTSBTUED-JOCHJYFZSA-N 367.468 3.768 0 40 FHAB Cc1oc(CN2CCOCC2)cc1C(=O)NC1(c2ccccc2)CCCC1 72346496 FZIMMPCFNKZJRO-UHFFFAOYSA-N 368.477 3.620 0 40 FHAB Cc1ccc2c(CC(=O)Nc3ccc(CC(=O)N(C)C)cc3)coc2c1C 45961582 XUUYJMYYNOXEMF-UHFFFAOYSA-N 364.445 3.862 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCc3ccno3)cc12 60751895 DRHBLVQDONKGAL-UHFFFAOYSA-N 357.366 3.880 0 40 FHAB CCCCCn1c(-c2cccc(F)c2)nc2c1c(=O)[nH]c(=O)n2CCCC 12727251 UYQCHDMXSSUTJS-UHFFFAOYSA-N 372.444 3.683 0 40 FHAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(NC(=O)C(C)C)cc1 14257758 QISMPGWZLFKXBD-UHFFFAOYSA-N 355.463 3.716 0 40 FHAB Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)cc2)cc1 14257760 QGNJAFIHYVPKEQ-UHFFFAOYSA-N 355.463 3.716 0 40 FHAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N[C@@H](C)c3cnn(C)c3C)c2)n1 19718345 AJSUCWRCAQVODU-ZDUSSCGKSA-N 371.872 3.675 0 40 FHAB CC(C)[C@@]1(CO)CCCN(CCc2nc(-c3cccc(Cl)c3)no2)C1 563508505 FCMHPGCCOULOFC-IBGZPJMESA-N 363.889 3.663 0 40 FHAB O=S(=O)(NCc1ccccc1COc1ccccc1)c1cccs1 10680842 HSGSGJOGSVIQEN-UHFFFAOYSA-N 359.472 3.806 0 40 FHAB Cc1ccccc1NC(=O)N1C[C@@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888897360 MELVYHQPOVFZEY-MGPUTAFESA-N 370.428 3.637 0 40 FHAB Cc1ccc(Cn2cccc(C(=O)Nc3ccc(F)cc3F)c2=O)cc1 4940395 DMNODVNLLXSRBI-UHFFFAOYSA-N 354.356 3.736 0 40 FHAB CCOc1ccccc1-n1nnc(C(=O)OCc2cc(C)ccc2C)c1C 16845710 ZWIXTVLNJCTBIE-UHFFFAOYSA-N 365.433 3.948 0 40 FHAB c1nc(N2CCC(COc3ccc(C4CC4)nn3)CC2)c2sccc2n1 1775966331 YQNSCNUEFJDEOU-UHFFFAOYSA-N 367.478 3.654 0 40 FHAB O=C(NCC1(c2cccs2)CCOCC1)c1nc2ccccc2s1 38940089 ZOCANJDUNMFYCB-UHFFFAOYSA-N 358.488 3.836 0 40 FHAB Cc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2C)c(Cl)c1 6613405 FJZYZECUMFRXPL-UHFFFAOYSA-N 362.838 3.782 0 40 FHAB O=c1nc(SCc2cccc3ccccc23)c2c(n1CCO)CCCC2 10256705 IPBSWDWONZUJSU-UHFFFAOYSA-N 366.486 3.560 0 40 FHAB COc1ccc(OC)c(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)c1 7056471 KBXQKSIZNQGVAN-MDZDMXLPSA-N 353.827 3.770 0 40 FHAB O=C(NCC[C@@H](O)c1ccoc1)NC(c1ccccc1)c1ccccc1 90613391 DFOSAMKUTRRKNU-LJQANCHMSA-N 350.418 3.792 0 40 FHAB CCc1ccc(-c2nc(C(=O)NCc3c(C)cc(C)[nH]c3=O)cs2)cc1 10459090 RZGDCNWERITETN-UHFFFAOYSA-N 367.474 3.608 0 40 FHAB CCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 40104779 ZMTKOTSYQPTYNC-IBGZPJMESA-N 367.449 3.858 0 40 FHAB Cc1nc2ccc(NC(=O)N(C)Cc3ccc4c(c3)OCO4)cc2s1 40103264 OEISHHFWNVJKSK-UHFFFAOYSA-N 355.419 3.997 0 40 FHAB C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 40122596 GUEFKJXSMPCTOQ-CJNGLKHVSA-N 360.429 3.831 0 40 FHAB CC(C)CNC(=O)CC1(Cn2cnc3ccccc3c2=O)CCCCC1 40266772 QRAOODPHDVZZKC-UHFFFAOYSA-N 355.482 3.509 0 40 FHAB COc1ccc(Cl)cc1-n1nnc(C(=O)NC2CCCCCC2)c1C 51317546 QMOQZMXSPICKIF-UHFFFAOYSA-N 362.861 3.690 0 40 FHAB O=C(Nc1cccc(Cn2cccn2)c1)c1ccccc1Br 32466640 AQJGIVLEJRYJEW-UHFFFAOYSA-N 356.223 3.946 0 40 FHAB COC(=O)c1ccc([C@@H]2C=C(c3ccc(C)c(C)c3)Nc3ncnn32)cc1 102047906 AWDKCRUDAUZCIZ-IBGZPJMESA-N 360.417 3.738 0 40 FHAB COc1ccc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)cc1OC 32876228 AADBAJVXNDDKRC-UHFFFAOYSA-N 373.430 3.692 0 40 FHAB CC(C)[C@@H](C)N(Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)C1CC1 32825572 FONFLORNZCMELR-GFCCVEGCSA-N 362.474 3.938 0 40 FHAB CC(=O)Nc1sc(C)c(C)c1[C@@H](c1cccs1)N1CCOCC1 22130812 NSMDTMJTOLUHPO-MRXNPFEDSA-N 350.509 3.806 0 40 FHAB COc1cc2cc(-c3ccc(OC)c(OC)c3C)nc(N)c2cc1OC 664885 JMWYTDCFGMVVRI-UHFFFAOYSA-N 354.406 3.827 0 40 FHAB COc1ccc(S(=O)(=O)Nc2cccc(F)c2)c(Cl)c1Cl 665403 CBNKOXNMAYBRRG-UHFFFAOYSA-N 350.198 3.942 0 40 FHAB CCc1ccc(S(=O)(=O)N(C(=O)C(C)C)c2ccc(OC)cc2)cc1 646757 YNWPNDMGHYTIMI-UHFFFAOYSA-N 361.463 3.636 0 40 FHAB Cc1cc(-c2ccccc2)nc2cc(C(=O)N(C)Cc3ccccc3)nn12 829520 XGFAPUQEUDMPLY-UHFFFAOYSA-N 356.429 3.977 0 40 FHAB Cc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)c(C)c1 849454 CKUMRLMWDYOGJX-UHFFFAOYSA-N 374.868 3.811 0 40 FHAB CCc1ccc2c(c1)[C@@](O)(CC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N2 1099847 NYMNUOPKVYZBEY-SFHVURJKSA-N 364.228 3.969 0 40 FHAB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(F)cc2)n2ncnc2N1 1291662 QFSFUSKJPNDSTM-QGZVFWFLSA-N 356.401 3.582 0 40 FHAB O=C(/C=C/c1ccc(F)cc1)Nc1nc2nccc(-c3ccccc3)n2n1 2360161 FYBRJAKHPOVTKZ-DHZHZOJOSA-N 359.364 3.582 0 40 FHAB CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)O)c2ccc3ccccc3c2)CC1 2527335 VCKNXQIHLAMSSE-GOSISDBHSA-N 370.449 3.518 0 40 FHAB COc1ccccc1-c1nnc(SCCOc2ccccc2F)n1C 2629753 UVUMUBGVVYIDRU-UHFFFAOYSA-N 359.426 3.801 0 40 FHAB CCOc1cc(OCC)cc(C(=O)NC(=S)Nc2ccc(OC)cc2)c1 4090922 GREYKJAHRNXDRY-UHFFFAOYSA-N 374.462 3.619 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1 4286462 LBUGNNFKPYINGN-HNNXBMFYSA-N 350.418 3.979 0 40 FHAB O=C(Nc1nc2ccccc2n1CCOc1ccccc1)c1cccnc1 4551796 YTNZTLAUDNOVGQ-UHFFFAOYSA-N 358.401 3.763 0 40 FHAB O=c1c(=O)n(-c2cccc3ccccc23)ccn1Cc1ccc(Cl)cc1 4569895 RUJWTWJRNWZDCZ-UHFFFAOYSA-N 362.816 3.854 0 40 FHAB CCOc1ccc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c(OCC)c1 4672594 YNBGPWGAHUHPGD-ATVHPVEESA-N 368.458 3.746 0 40 FHAB CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 4742727 VSDATSOFKDOJSP-UHFFFAOYSA-N 359.234 3.617 0 40 FHAB CCOC(=O)C1=NN[C@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C)cc1 4899400 RKUJDFNXSWLLHC-SJORKVTESA-N 370.836 3.506 0 40 FHAB Cn1c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nnc1C1CC1 5471944 LLKOJKUFSCYQQS-MRXNPFEDSA-N 356.495 3.538 0 40 FHAB COc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 5559922 RIZTYDJAVABRNH-UHFFFAOYSA-N 372.852 3.840 0 40 FHAB CSc1nnc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)s1 5872441 HLGQTQIKQSJLPJ-BDAKNGLRSA-N 357.501 3.757 0 40 FHAB CCOC(=O)c1sc(NC(=O)c2ccc(SC)cc2OC)nc1C 5979933 AHFBGSQQYHUFJX-UHFFFAOYSA-N 366.464 3.611 0 40 FHAB Cc1ccc(NC(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 6942931 QNXJUSXNGGLEFE-UHFFFAOYSA-N 363.417 3.593 0 40 FHAB CC[C@@H](CO)Nc1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 6949204 DIJUNIGHZAKALJ-ZDUSSCGKSA-N 354.479 3.815 0 40 FHAB C[C@H](NS(=O)(=O)c1ccccc1Cl)c1ccc(-n2ccnc2)cc1 7050225 HCODBMMILPFEIN-ZDUSSCGKSA-N 361.854 3.565 0 40 FHAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1OC 7113259 GGLIRYUYDFNAHV-INIZCTEOSA-N 366.339 3.833 0 40 FHAB Cc1nnc(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)O)o1 7603443 GQKYZALXLCDHQO-ZSOIEALJSA-N 373.346 3.764 0 40 FHAB COc1ccc(CN(C)CC(=O)Nc2ccc(C)c(Cl)c2)cc1OC 7973233 FJBLUZOMLRYVCI-UHFFFAOYSA-N 362.857 3.736 0 40 FHAB COc1ccc(CC(=O)Nc2cc(OC)c(Cl)cc2OC)c(OC)c1 8305487 NJEWWSJCCIHRSY-UHFFFAOYSA-N 365.813 3.556 0 40 FHAB O=C(O)c1ccc(OCCCSc2nnc(-c3ccccc3)o2)cc1 8731648 GNQJXZWGRLUSSL-UHFFFAOYSA-N 356.403 3.996 0 40 FHAB COc1ccc(-c2nonc2NC(=O)COc2ccc(Cl)c(C)c2)cc1 8916351 SDBMGAALODYGMH-UHFFFAOYSA-N 373.796 3.725 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NOCc1ccccc1 9855196 PXCVYQVOIAVHGK-UHFFFAOYSA-N 359.788 3.835 0 40 FHAB NC(=O)[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)c1ccc(F)cc1 11241819 FIEWAXIFBYQZFF-OAHLLOKOSA-N 368.393 3.676 0 40 FHAB COc1cccc2s/c(=N/C(=O)CCSc3ccccc3)n(C)c12 11853045 RJUDUNRWEMTKSF-VHEBQXMUSA-N 358.488 3.858 0 40 FHAB O=C1C[C@@]2(CC[C@@H]3[C@@H](C(=O)NC4CCCC4)[C@@H]32)Oc2ccc(Cl)cc21 12087257 UESWYPBEAXCAOH-LCPZFUNLSA-N 359.853 3.759 0 40 FHAB Nc1cc2ccccc2nc1C1CCN(C(=O)Cc2cccc(F)c2)CC1 12087791 SAGKOYCWPFTBPU-UHFFFAOYSA-N 363.436 3.905 0 40 FHAB Fc1ccc(-c2nc3cnccn3c2NCc2ccc3c(c2)OCO3)cc1 12113752 QERWPGVXSKKYFX-UHFFFAOYSA-N 362.364 3.876 0 40 FHAB COc1ccc(-c2nc3cnccn3c2NCc2cccs2)cc1CO 12113865 RIXAWYDVDJEFNH-UHFFFAOYSA-N 366.446 3.571 0 40 FHAB COc1ccc(S(=O)(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)cc1 12544739 HUGCDEQMYRPNBK-UHFFFAOYSA-N 371.462 3.607 0 40 FHAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)Cc2c(Cl)cccc2Cl)C1 12661143 BMDRFMOZIARPEY-TXEJJXNPSA-N 358.265 3.584 0 40 FHAB Cc1nc2cc(NC(=O)Cc3csc(-c4ccccn4)n3)ccc2o1 12855444 VJUTUGKCPMAKJJ-UHFFFAOYSA-N 350.403 3.836 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1ccccc1Cl 12923515 LYVRANILKJWRFN-UHFFFAOYSA-N 367.836 3.642 0 40 FHAB O=C(N[C@H]1CCc2ccccc21)c1cccc(I)c1 12947154 QVERQHOHNPRQBS-HNNXBMFYSA-N 363.198 3.709 0 40 FHAB O=C(O)Cc1csc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)n1 13405704 CQKYHOAWPWQGMK-DUXPYHPUSA-N 357.218 3.729 0 40 FHAB O=C(Nc1nc2ccccc2s1)[C@H]1CS[C@H]2c3ccccc3C(=O)N12 13549866 KVFQBGIKULVNFF-DYVFJYSZSA-N 367.455 3.505 0 40 FHAB O=C(NCc1ccccc1)/C(=C\c1ccccc1F)NC(=O)c1ccccc1 13562205 UIIVJQHQFUAKLP-RCCKNPSSSA-N 374.415 3.913 0 40 FHAB C[C@@H](Cc1cccs1)N(Cc1ccccc1)C(=O)Cn1ccccc1=O 14184304 OTSBRPOWSLLTHE-KRWDZBQOSA-N 366.486 3.570 0 40 FHAB COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)NC(C)(C)C)cc1 14241354 NXNIPUOTEGTMPV-AWEZNQCLSA-N 369.465 3.663 0 40 FHAB CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NC1CCCCCC1 14269837 QAMCVZPMYVQZCX-SFHVURJKSA-N 363.477 3.633 0 40 FHAB CCc1ccc(/C=c2\sc3nnc(-c4ccccc4Cl)n3c2=O)cc1 15015214 GNMGUSYYMMSKMJ-WJDWOHSUSA-N 367.861 3.582 0 40 FHAB Cc1cccc(OCC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1C 15860044 UYYSVPXVMGTJKZ-SFHVURJKSA-N 356.466 3.619 0 40 FHAB Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1C 16031854 FHUHXRPOVMQUJB-UHFFFAOYSA-N 354.425 3.933 0 40 FHAB Cn1c(CNC(=O)C2(c3ccc(Cl)cc3)CCC2)nc2ccccc21 16694808 GXFIRPWUWNXEKD-UHFFFAOYSA-N 353.853 3.965 0 40 FHAB CCOc1cccc2cc(C(=O)NC(C)=O)/c(=N/c3ccc(C)cc3)oc12 17130874 WCKPDLWDXINOQK-LNVKXUELSA-N 364.401 3.649 0 40 FHAB C[C@H]1CN(c2ncc(-c3cccs3)c(-c3nccs3)n2)C[C@H](C)O1 19497637 KVUCNFCDEZBDBN-RYUDHWBXSA-N 358.492 3.942 0 40 FHAB CCCC(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2)(C(=O)NC)C1 19501056 QYVMUSCGSGQSIJ-QHCPKHFHSA-N 364.489 3.661 0 40 FHAB CCCn1nc(C)c(C(=O)N2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1C 19525834 RMRZSYKKIXTJLB-KRWDZBQOSA-N 365.481 3.806 0 40 FHAB COCc1nn2c(O)cc(-c3sc(C)nc3C)nc2c1-c1ccccc1 19560607 VFKSLSVMBMDKIZ-UHFFFAOYSA-N 366.446 3.989 0 40 FHAB Cc1ccn(CCNc2cc(Cc3c(C)[nH]c4ccccc34)nc(C)n2)n1 19655813 WCUXJGYTYZSWJX-UHFFFAOYSA-N 360.465 3.783 0 40 FHAB CCC(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1ccc(F)cc1 19694463 OOIRGTJFPNESDS-QGZVFWFLSA-N 356.445 3.812 0 40 FHAB COCC(=O)NCC[C@H]1CCCCN1Cc1cn(C(C)C)c2ccccc12 19745817 OPPHJULOMCORQW-LJQANCHMSA-N 371.525 3.729 0 40 FHAB COc1cc(CNC(=O)[C@H](C)Oc2ccccc2C)ccc1OC(C)C 20452977 FQMLGKAAPJYLQQ-INIZCTEOSA-N 357.450 3.875 0 40 FHAB CCCOc1ccccc1C(=O)Nc1noc(-c2ccc(OC)cc2)n1 21800740 FGDGDRPCIUJSEF-UHFFFAOYSA-N 353.378 3.786 0 40 FHAB CCCc1ccc([C@@]2(C)NC(=O)N(C[C@H]3CC3(Cl)Cl)C2=O)cc1 22473620 QIBLENWPAUYSGD-CZUORRHYSA-N 355.265 3.600 0 40 FHAB CN(Cc1ccccc1)C(=O)NCCc1ccc(Br)s1 22882109 RYCRIAYBPPSBJP-UHFFFAOYSA-N 353.285 3.895 0 40 FHAB CCOc1cc(/C=C/C(=O)NCC2(N(C)C)CCCCCC2)ccc1OC 24583281 OOORNHUFFHHTHB-ACCUITESSA-N 374.525 3.878 0 40 FHAB O=C(NCc1cccnc1-n1cccn1)c1ccc(-c2ccc(F)cc2)o1 24590148 RLCAUEUNDGEEMM-UHFFFAOYSA-N 362.364 3.596 0 40 FHAB O=C(CN1Cc2ccccc2[C@@H](c2ccccc2)C1)NCc1ccccc1 25397346 RNJPXBLSXBNZIM-HSZRJFAPSA-N 356.469 3.951 0 40 FHAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2cccc(C(=O)N(C)C)c2)c1 25542364 HMTDEMDFNNMLPH-UHFFFAOYSA-N 352.434 3.607 0 40 FHAB C[C@@H](C(=O)Nc1cccc(NC(=O)CCC2CCCC2)c1)n1cccn1 27127022 URRILVGVKMQBCA-HNNXBMFYSA-N 354.454 3.992 0 40 FHAB COc1ccc(OC)c(CN(CC(=O)Nc2ccc(C)cc2)C2CC2)c1 27602415 MPOZXPXMTDMSNU-UHFFFAOYSA-N 354.450 3.615 0 40 FHAB CCCOc1cc(C)c(Cl)cc1S(=O)(=O)n1cc(C)nc1CC 27822728 FAHRLJIWADZFQO-UHFFFAOYSA-N 356.875 3.742 0 40 FHAB C[C@@H](NS(=O)(=O)/C=C/c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 28044968 OEFDEKSUBSTBRL-SZGUKTLCSA-N 370.474 3.686 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)COc1ccc2c(c1)CCC(=O)N2 29491213 JOSIKNVGUHJCJZ-UHFFFAOYSA-N 374.824 3.559 0 40 FHAB C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(N3CCCC3)cn2)cc1 30854345 FVQMSGOQVRXLAM-KBXCAEBGSA-N 364.449 3.529 0 40 FHAB CCOC(=O)N[C@H](CNC(=O)c1occc1-c1ccccc1)CC(C)C 31699158 ZQMLLXQZVFHJLE-INIZCTEOSA-N 358.438 3.837 0 40 FHAB CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3C(C)(C)C)c2cc(C)ccc21 32092391 NTQFFTQCNMIIJU-HXUWFJFHSA-N 352.438 3.591 0 40 FHAB CCc1ccc(O[C@@H](C)C(=O)Nc2noc(-c3ccc(F)cc3)n2)cc1 32624300 IHIPCPCLBTVMGP-LBPRGKRZSA-N 355.369 3.844 0 40 FHAB COc1ccc2cc([C@H](C)C(=O)N[C@H](C)c3nnc4ccccn34)ccc2c1 32809153 VLDGTERFZPKGPJ-LSDHHAIUSA-N 374.444 3.872 0 40 FHAB COC(=O)c1ccoc1COC(=O)c1ccc(C(=O)c2ccccc2)cc1 32895514 RFNCPDDBBKUAMJ-UHFFFAOYSA-N 364.353 3.654 0 40 FHAB O=C(CCNC(=O)c1ccccc1)Nc1cccnc1Oc1ccccc1 36759575 ZMYYAEQKHMBGBG-UHFFFAOYSA-N 361.401 3.633 0 40 FHAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(F)cc1F 38500784 UFUPWAAYZVXYLE-UHFFFAOYSA-N 361.323 3.941 0 40 FHAB O=C(CCOc1ccc(Cl)cc1)NCc1cccc(NC(=O)C2CC2)c1 40106520 NMIVVDPLHYPKHW-UHFFFAOYSA-N 372.852 3.774 0 40 FHAB Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Cl)c(C(=O)O)c1 47318207 JHZLKYRJWUOOPC-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB Cc1cc([C@@H](C)NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)c(C)s1 47448133 VRUOUFJWCXXERM-GFCCVEGCSA-N 371.437 3.541 0 40 FHAB C[C@H](Sc1ccccc1)C(=O)N[C@@H](c1ccccc1)c1nccn1C 48324913 BYUIQOVFVVUPER-YJBOKZPZSA-N 351.475 3.807 0 40 FHAB COC(=O)c1ccc([C@H]2CC(O)=Nc3c2cnn3Cc2ccccc2)cc1 49546128 PMDMGLMWUVOTNI-QGZVFWFLSA-N 361.401 3.842 0 40 FHAB CC(=O)Nc1cc2ccccc2cc1C(=O)NCC1(N(C)C)CCCCC1 49634623 ROUIUJUNGVVEIP-UHFFFAOYSA-N 367.493 3.793 0 40 FHAB Cc1nc(SCC(=O)NC[C@H](C)c2nc3ccccc3s2)oc1C 50247922 LEYJEXLHHYJGDI-JTQLQIEISA-N 361.492 3.913 0 40 FHAB O=S(=O)(Oc1ccc(OCc2cccnc2)cc1)c1ccccc1F 56121546 PDKAPMMMSDFKCO-UHFFFAOYSA-N 359.378 3.567 0 40 FHAB CC(=O)Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2Cl)C1 57176040 WRHUONRNIBSRHZ-UHFFFAOYSA-N 354.841 3.664 0 40 FHAB COc1ccc2nc3c(cc2c1)CN(CCOc1ccc(F)cc1)CCO3 57719265 UZEGEKJCVHGQPH-UHFFFAOYSA-N 368.408 3.656 0 40 FHAB CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc3ccccc3[nH]2)c1C 58192285 SKWAQZUUQAQWTF-UHFFFAOYSA-N 371.462 3.880 0 40 FHAB C[C@@H](C(=O)NCCC1CCCCC1)n1c(S)nnc1-c1cccs1 58421744 IDMFLHRMDSTHQX-LBPRGKRZSA-N 364.540 3.943 0 40 FHAB Cc1ccn(C[C@H](C)C(=O)N[C@H]2[C@H]3CCCC[C@H]3[C@@H]2c2ccccc2)n1 60016533 RUXDNAHKRRJWBA-YSCIFQABSA-N 351.494 3.916 0 40 FHAB CCCOc1ccc(CNC(=O)c2cn(-c3ccc(C)c(C)c3)nn2)cc1 67261872 TUPSETNCCUZBFK-UHFFFAOYSA-N 364.449 3.603 0 40 FHAB C[C@H](Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)NCC(F)(F)F 71846702 PKDUZPRGAMMYAW-NSHDSACASA-N 369.314 3.503 0 40 FHAB Cc1cccc(-c2cncc([C@@H]3CCCN(C(=O)Cc4ccccn4)C3)n2)c1 72359594 JNTOAEUKZSHPRR-LJQANCHMSA-N 372.472 3.796 0 40 FHAB Cc1nccn1-c1cccc([C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 72378854 QERHSYQMAQBOAL-KRWDZBQOSA-N 364.424 3.735 0 40 FHAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)NCCc1ccccc1 75359580 DRGPDSDXHWXWEW-UHFFFAOYSA-N 355.825 3.682 0 40 FHAB Cc1nn(C)c(C)c1CCNC(=O)N[C@@H](c1cccs1)C1CCCC1 84012166 GNELPNYVMTVXPA-GOSISDBHSA-N 360.527 3.872 0 40 FHAB Cc1ccc(C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@@H]2C)c(=O)[nH]1 95413195 XRMVWWJRKCGVAX-JTQLQIEISA-N 351.233 3.750 0 40 FHAB O=C1C[C@@H](c2cccc(O)c2)c2c(ccc3nn(-c4ccc(F)cc4)nc23)N1 96117346 VGTSLJUXIJWFQU-INIZCTEOSA-N 374.375 3.739 0 40 FHAB O=C(COc1ccc(F)cc1)NCc1ccc(C(=O)c2ccccc2)s1 96119867 HGCWUHKQSILTOK-UHFFFAOYSA-N 369.417 3.813 0 40 FHAB O=C(CC1CCC2(CC1)CCN(Cc1ccncc1)CC2)N1CCCC1 96159369 ORPHSXQRENNARW-UHFFFAOYSA-N 355.526 3.867 0 40 FHAB c1cc(COC[C@H]2CC3(CCN(Cc4ccsc4)CC3)CO2)ccn1 96218284 KQWKCBWVJDVIAB-LJQANCHMSA-N 358.507 3.731 0 40 FHAB O=C(NCCc1ccc(F)cc1)C1CCN(Cc2ccccc2F)CC1 96625981 FHYQIRKZHWBUAL-UHFFFAOYSA-N 358.432 3.536 0 40 FHAB COc1cccc(/C=C\C(=O)NCc2sccc2C)c1OC(F)F 97026888 DSASQTMHEIACHB-SREVYHEPSA-N 353.390 3.996 0 40 FHAB OC1(c2ccccn2)[C@@H]2CCC[C@@H]1CN(Cc1ccc3ncccc3c1)C2 100148851 RYGJNFXXWXQHMM-WOJBJXKFSA-N 359.473 3.750 0 40 FHAB Cc1ccc(CC(=O)N[C@H](c2ccccn2)[C@H]2CC[C@H](CN)CC2)cc1 100749984 GIUFFZPTHDNBES-JQVVWYNYSA-N 351.494 3.555 0 40 FHAB Cc1ccccc1OC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 102593255 WGQFKOJYGJMVLY-HZVDNRATSA-N 373.408 3.526 0 40 FHAB COCc1cc(NC(=O)c2sc(-c3ccc(C)cc3C)nc2C)ncn1 155732822 UOOHYGXFZULLFQ-UHFFFAOYSA-N 368.462 3.924 0 40 FHAB CCOc1ccc(/C=C(\C(=O)NC2CCCCC2)n2ccccc2=O)cc1 199401393 DOMBQYBBHJKKSX-CAPFRKAQSA-N 366.461 3.694 0 40 FHAB O=C(O)c1ccc2c(c1)[C@]1(C[C@H]1c1cccc(Br)c1)C(=O)N2 217477202 HXIUGYSURBPMPU-GUYCJALGSA-N 358.191 3.525 0 40 FHAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1OC)c1ccc(OC)c(OC)c1 219504558 MCQVNBIAVRJSCO-ZBFHGGJFSA-N 373.449 3.747 0 40 FHAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@@H](C)COc1ccc(C)cc1 219564416 NRZBNKPDYNLZMJ-FUHWJXTLSA-N 357.450 3.745 0 40 FHAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 222584574 IQDPBPJXLCNFBN-MRXNPFEDSA-N 372.896 3.663 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1C 222717830 OKFQIOULRMVNAH-HOTGVXAUSA-N 355.434 3.719 0 40 FHAB O=C(NCc1nccc(N2CCCC2)n1)c1ccc(-c2ccccc2)cc1 224150363 ZSIGBZGBQGBBDP-UHFFFAOYSA-N 358.445 3.674 0 40 FHAB CCOc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1C 224962417 XQPIGXGVWUEMCE-UHFFFAOYSA-N 352.478 3.572 0 40 FHAB CCn1c(=O)sc2cc(NC(=O)COc3cccc(Cl)c3)ccc21 225121220 ZGRSJQMNTMVNFA-UHFFFAOYSA-N 362.838 3.754 0 40 FHAB CCOc1ccccc1CNC(=S)Nc1cc(C(=O)OC)ccc1C 225442276 FBZYSRRHNWWBJX-UHFFFAOYSA-N 358.463 3.667 0 40 FHAB CCOc1ccc(C(=O)NCc2nc(-c3cccs3)no2)cc1Cl 225629860 ANZIOQKJIZXHPD-UHFFFAOYSA-N 363.826 3.780 0 40 FHAB CCc1nc(C)sc1C(=O)NCCCn1ncc2c(Cl)cccc21 257173242 HLZULRMCNPXFQN-UHFFFAOYSA-N 362.886 3.837 0 40 FHAB Cc1ccc(Nc2nc([C@@H]3CCCN3Cc3cnn(C)c3)cs2)nc1 257239109 HNZWIAXVGHXMMC-INIZCTEOSA-N 354.483 3.661 0 40 FHAB O=C(CN1CCCC1)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257256616 KMFQGPVLCBLVMH-SFHVURJKSA-N 373.884 3.678 0 40 FHAB Cc1ncoc1C(=O)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257297525 RHQSPWXJUWTNCT-HNNXBMFYSA-N 369.396 3.721 0 40 FHAB COC(C)(C)C(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2 257297876 RJDCUPYAEVWEPY-UFWNDYSESA-N 370.537 3.544 0 40 FHAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)c1 408587210 BCPTWAGYSJMIKI-UHFFFAOYSA-N 372.490 3.649 0 40 FHAB CCC(=O)NC(=S)Nc1cc(-c2cc3ccccc3oc2=O)ccc1C 408622200 OPEWFTFJRBJBFZ-UHFFFAOYSA-N 366.442 3.991 0 40 FHAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccccc4)c3)C(=O)[C@@H]2C1 408685812 RPTKFAMUIUKIJI-RTBURBONSA-N 360.413 3.785 0 40 FHAB CCOc1cc([C@@H]2NC[C@H](C(=O)O)S2)ccc1OCc1cccc(C)c1 408979226 QFEZADUJHWUJAC-RTBURBONSA-N 373.474 3.761 0 40 FHAB CCCCN1C(=O)S/C(=C\c2cn(CC(=O)OC)c3ccccc23)C1=O 409134846 OIYNEQYMWSKEAD-YBEGLDIGSA-N 372.446 3.651 0 40 FHAB CNC(=O)c1ccc(CN2CCC[C@@H](Cc3ccc(OC)cc3)C2)cc1 552059712 VXPYJTYCZNKSOC-IBGZPJMESA-N 352.478 3.510 0 40 FHAB CCn1cccc(NC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)c1=O 573224390 HZGIAURSMSXDDU-KRWDZBQOSA-N 365.437 3.504 0 40 FHAB O=C(c1ccsc1)N1CCC2(CC1)CCN(Cc1cccc(F)c1)C2=O 585099775 UTCRXWIYAJMAEQ-UHFFFAOYSA-N 372.465 3.542 0 40 FHAB Nc1ncnc2cc(C(=O)N(CCc3ccccc3)C3CCCC3)ccc12 667515056 UWBWEOULFOLLEX-UHFFFAOYSA-N 360.461 3.840 0 40 FHAB O=C(NCc1ccccc1)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@@H]34)[C@@H]21 1083103376 PHPWGEMSZMRUSS-YUMYIRISSA-N 365.521 3.791 0 40 FHAB CCc1ncnc(OCC2CCN(c3nc4ccc(F)cc4o3)CC2)c1F 1888914197 PQCBQRYKQIJOPL-UHFFFAOYSA-N 374.391 3.754 0 40 FHAB C[C@@H](C(=O)OCCCCCC(=O)O)c1ccc(C[C@H]2CCCC2=O)cc1 2061000690 LYITVTONQYWYCP-CRAIPNDOSA-N 360.450 3.890 0 40 FHAB O=C(CCCC1CCCCC1)Nc1cccc(S(=O)(=O)NC2CC2)c1 22700354 ZITLQPQXSBWGET-UHFFFAOYSA-N 364.511 3.816 0 40 FHAB Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(Cl)c2)cc1 1346915 JFRZEBSIHKBTIV-SFHVURJKSA-N 371.868 3.961 0 40 FHAB O=C(Nn1c(C2CCC2)nc2cc(Cl)ccc2c1=O)c1cccs1 1365068 PSEUQVYCZVUISF-UHFFFAOYSA-N 359.838 3.763 0 40 FHAB NC1=Nc2nc3ccccc3n2[C@@H](c2cccc(Oc3ccccc3)c2)N1 3164355 HBHABMJNQNMUFE-IBGZPJMESA-N 355.401 3.925 0 40 FHAB Cc1nc(N2CCN(c3cccc(Cl)c3)CC2)nc2c1C(=O)C[C@H](C)C2 7499189 KYZMSEBKGYDPHY-CYBMUJFWSA-N 370.884 3.530 0 40 FHAB CCOc1ccc(/C=C(\Sc2nnc(CC)o2)C(=O)O)cc1OCC 7508365 KYEGAEUXVUCEAO-UVTDQMKNSA-N 364.423 3.647 0 40 FHAB COc1cc(CNn2c(C)n[nH]c2=S)ccc1OCc1ccccc1 7602667 ZXDSQVQVABHEQC-UHFFFAOYSA-N 356.451 3.580 0 40 FHAB CN(c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 97141273 WLXHQIUKXAWVJF-UHFFFAOYSA-N 360.218 3.517 0 40 FHAB CC1(C)[C@@]2(C(=O)Oc3cccnc3)CC[C@@]1(C)c1nc3ccccc3nc12 101418121 NHXRTIJGJKWKTR-VXKWHMMOSA-N 359.429 3.960 0 40 FHAB O=C(c1cc(Cl)ccc1Cl)n1c(S)nc2ccccc2c1=O 103650497 BABWTRGXYQKPPK-UHFFFAOYSA-N 351.214 3.681 0 40 FHAB Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](CC(C)C)[C@H]3C2=O)c1 102726038 KBXOHNGGERDOMT-VAMGGRTRSA-N 364.445 3.720 0 40 FHAB CCC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 24973427 SUNTUYOKZINOAR-PXNSSMCTSA-N 368.477 3.829 0 40 FHAB COC(=O)c1n[nH]c2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc12 25012979 XSGVMMYPHKRDPX-UHFFFAOYSA-N 365.723 3.533 0 40 FHAB O=S(=O)(Nc1ccc2c(c1)CCC2)c1ccc(Br)s1 1472315 DYSYRSFTEUSXCF-UHFFFAOYSA-N 358.282 3.800 0 40 FHAB CCCCN(C)c1ccc(C(=O)Nc2cnc3c(c2)c(C)nn3C)cc1 58047425 DDAUITVRJWTLBT-UHFFFAOYSA-N 351.454 3.765 0 40 FHAB CC[C@H](C)NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 101257759 UIFUXZCJCAGXFM-OUJBWJOFSA-N 356.348 3.665 0 40 FHAB O=C(NCc1coc(-c2cccs2)n1)c1ccc(C(F)(F)F)nc1 26359840 HCXIWYGHUYMOQN-UHFFFAOYSA-N 353.325 3.747 0 40 FHAB CCc1cccc(CC)c1NC(=O)CNC1(c2noc(C)n2)CCCCC1 57265259 MAHFVENUBGKCPD-UHFFFAOYSA-N 370.497 3.891 0 40 FHAB CC(=O)c1cc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)n(C)c1 57676126 GQIKZQWPSHXTCW-UHFFFAOYSA-N 373.503 3.694 0 40 FHAB C[C@H](NC(=O)[C@@]1(C)CCCN1C(=O)OC(C)(C)C)c1ccc(F)c(F)c1 84647880 QDDPEEBKDWXKFI-HXPMCKFVSA-N 368.424 3.932 0 40 FHAB Cc1cccnc1NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 48227220 HTZMLBWAVZVVOV-IBGZPJMESA-N 373.412 3.585 0 40 FHAB O=C(CCC(=O)c1ccccc1)NC[C@H]1CCCN(Cc2cccs2)C1 58197200 ZEGUEDUTVQLISN-QGZVFWFLSA-N 370.518 3.739 0 40 FHAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N(Cc1ccsc1)C1CC1 58218189 LYOMJUAYMWXOSU-MRXNPFEDSA-N 358.488 3.742 0 40 FHAB CN(C)C[C@H](NC(=O)c1cccc(NC(=O)C(C)(C)C)c1)c1ccccc1 12773404 UQAAGQFAFKMHHT-IBGZPJMESA-N 367.493 3.704 0 40 FHAB O=C(CCc1nc(-c2cccs2)no1)N[C@H]1CCC[C@H](C(F)(F)F)C1 27849939 GMFOPRMOXDBDNM-QWRGUYRKSA-N 373.400 3.968 0 40 FHAB COc1cc(OC)c(C(=O)OCc2cc(-c3ccccc3)no2)cc1OC 12769475 WJLDHJKMCJKAHI-UHFFFAOYSA-N 369.373 3.724 0 40 FHAB Cc1c(C)c(C)c(S(=O)(=O)N(C[C@@H](C)O)c2ccccc2)c(C)c1C 58377168 BDSMPKMQIAWTNT-CYBMUJFWSA-N 361.507 3.805 0 40 FHAB Cc1ccccc1-n1ccnc1SCC(=O)c1ccc2c(c1)OCO2 26047067 ZRLISSIHRZEJFR-UHFFFAOYSA-N 352.415 3.884 0 40 FHAB Cc1cccc(N2CCN(CC(=O)Nc3cc(F)ccc3C)C[C@@H]2C)c1 57720221 OQLCALOGKPWBHI-KRWDZBQOSA-N 355.457 3.592 0 40 FHAB C[C@H]1CC[C@H]2C(=O)N(c3cccc(OC(=O)c4ccccc4)c3)C(=O)[C@@H]2C1 100744331 XPEWGBFEFDMETC-GDIGMMSISA-N 363.413 3.831 0 40 FHAB CSc1nc(O)c2[n+](n1)[C@@H](c1ccc(C(C)C)cc1)Nc1ccccc1-2 27232989 WOFKYTJSQZAJSG-SFHVURJKSA-O 365.482 3.954 0 40 FHAB Cc1c([C@@H](C)NC(=O)c2cc(C3CC3)nc3onc(C4CC4)c23)cnn1C 36617405 KIEVADDIUSXPMU-SNVBAGLBSA-N 365.437 3.511 0 40 FHAB O=C(/C=C/c1ccccc1F)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12887621 FPDLLUUYHMMRHA-LNENJAERSA-N 353.393 3.974 0 40 FHAB CCN(CC)[C@@H](CNC(=O)c1cccc(COC)c1)Cc1ccccc1 29918214 XXCKLTWSHZOTNG-OAQYLSRUSA-N 354.494 3.516 0 40 FHAB CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCO[C@H](c2ccc(F)cc2)C1 46059171 HZDKZCLKEGPETD-UWJYYQICSA-N 370.468 3.636 0 40 FHAB COc1ccccc1N1CCN(Cc2cc(F)cc3cccnc23)CC1 25910848 QOBCQERZWLVFLC-UHFFFAOYSA-N 351.425 3.705 0 40 FHAB Cc1cc(C(C)(C)C)cc(C)c1CS(=O)(=O)Cc1cccc(C(N)=O)c1 46108628 SZTUPUJLJQKNSV-UHFFFAOYSA-N 373.518 3.815 0 40 FHAB COc1ccc(CNC(=O)c2cccc(OCc3csc(C)n3)c2)cc1 12857999 LLCKSJZMPYJINT-UHFFFAOYSA-N 368.458 3.969 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)CN[C@@H](C)c1cc(C)ccc1C 12908994 DJXXEASBIQVNGY-INIZCTEOSA-N 354.450 3.769 0 40 FHAB Cc1cc(Br)ccc1NC(=O)c1cc(=O)[nH]c2ccccc12 12906413 OXQJBZMYFAEIFP-UHFFFAOYSA-N 357.207 3.851 0 40 FHAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNC(=O)Nc1ccccc1 12906294 ZCCGMMAJWMCPMN-UHFFFAOYSA-N 366.248 3.774 0 40 FHAB O[C@@H](CNC[C@H]1CC1(Cl)Cl)COc1ccc(-c2ccccc2)cc1 6085915 AJPQLHOKRRLUMH-SJORKVTESA-N 366.288 3.877 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c(Cl)c1 6272260 RIOFFHGRRVHQFG-MRXNPFEDSA-N 356.853 3.678 0 40 FHAB COc1cccc(NC(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)c1 5345060 KMLCWZXVEPYZMY-UHFFFAOYSA-N 367.401 3.690 0 40 FHAB CC(C)=C[C@H]1[C@H](C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1(C)C 14188324 KPTNPZSDRGMSIP-QFBILLFUSA-N 367.493 3.732 0 40 FHAB O=C(Cc1csc(-c2ccco2)n1)Nc1cccc(-c2ccn[nH]2)c1 24891284 KFSWYKIUTSBHOZ-UHFFFAOYSA-N 350.403 3.974 0 40 FHAB C[C@@H](CNc1nc(-c2ccncc2)nc2ccccc12)CC1(C)OCCO1 97002665 MUSHPRFEMQRGLN-OAHLLOKOSA-N 364.449 3.893 0 40 FHAB Cc1ccnc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4O)nc32)c1 9344605 NATRSTWORVMJPA-UHFFFAOYSA-N 370.416 3.761 0 40 FHAB O=C(N[C@H]1CCc2ccccc21)c1n[nH]nc1Nc1cccc(Cl)c1 67284128 FFYWHKJWKGHFKX-HNNXBMFYSA-N 353.813 3.619 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2cccnc2)c2ccccc2)c1 7042585 JGMGNBOQSVFIHN-FQEVSTJZSA-N 374.396 3.821 0 40 FHAB CS(=O)(=O)Nc1ccc(-c2csc(NCCc3ccccc3)n2)cc1 7109574 PPVKANGMLAGEFH-UHFFFAOYSA-N 373.503 3.836 0 40 FHAB C[C@H]1CN(C(=O)C2(c3ccccc3)CCOCC2)C[C@H](c2ccccc2)O1 67827315 WYZNSIFRAOLJKH-GHTZIAJQSA-N 365.473 3.723 0 40 FHAB O=C(Nc1ccc(F)cc1)[C@@H](Sc1cccc[n+]1[O-])c1ccccc1 7507318 ZQGMIRSXSKAOBX-SFHVURJKSA-N 354.406 3.931 0 40 FHAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1ccc(Cl)cc1Cl 7552559 NMYWJVDUPVBPSK-AWEZNQCLSA-N 355.221 3.669 0 40 FHAB COc1ccc2oc(C(=O)NC[C@@H](Cc3ccccc3)N(C)C)c(C)c2c1 7683560 QGQWGDGJBLYRFD-QGZVFWFLSA-N 366.461 3.653 0 40 FHAB COc1cc(OC)c(N[C@H](C)C(=O)NCCc2cccs2)cc1Cl 7744080 FIGMNIRFTQHRKZ-LLVKDONJSA-N 368.886 3.578 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccco3)n2C)cc1F 7775111 BVJLSAGZRIGTQK-NSHDSACASA-N 360.414 3.642 0 40 FHAB O=C(c1ccc2c(c1)OCCCO2)N1CCC[C@H]1c1nc2ccccc2[nH]1 16309062 NVNSEXVYTHCDMW-KRWDZBQOSA-N 363.417 3.702 0 40 FHAB Cc1cccc(-n2nnnc2SCC(=O)Nc2ccc(C)c(Cl)c2)c1 8021365 NABRTMQMPDHFSQ-UHFFFAOYSA-N 373.869 3.663 0 40 FHAB CCC(=O)NC(=S)Nc1ccc(O)c(-c2nc3cc(CC)ccc3o2)c1 408627999 PFMJOACFLZMLAG-UHFFFAOYSA-N 369.446 3.986 0 40 FHAB CCSc1nc2sc3c(c2c(=O)[nH]1)CCN(Cc1ccccc1)C3 17194678 BEOIBOLRJFCRIW-UHFFFAOYSA-N 357.504 3.655 0 40 FHAB O=C1/C(=C/NCc2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 8516333 ORYDTBMEQXUUPJ-CJLVFECKSA-N 368.436 4.000 0 40 FHAB COc1cccc(N2C(=O)/C(=C/Nc3ccccn3)c3ccccc3C2=O)c1 17886919 BJNJLKXWTPCYLB-XMHGGMMESA-N 371.396 3.730 0 40 FHAB COc1ccc(CNC(=O)NCc2ccc3cc(OC)ccc3c2)cc1 9710635 LBWRIUPRYUMNIF-UHFFFAOYSA-N 350.418 3.856 0 40 FHAB O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)NCc1nc[nH]n1 70825093 JCZXZBKSKAXBTQ-SFHVURJKSA-N 372.881 3.597 0 40 FHAB COc1ccc(S(=O)(=O)c2cnc3ccc(OC)cc3c2Cl)cc1 72329775 KIVYASFSLZXIHL-UHFFFAOYSA-N 363.822 3.738 0 40 FHAB Cc1n[nH]c(C)c1[C@@H](C)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 95956571 PGWPGHBSEXZLGG-ACJLOTCBSA-N 374.916 3.737 0 40 FHAB Cc1csc(N(CC(F)(F)F)C(=O)/C=C/c2ccc3c(c2)CCO3)n1 89705714 QVCQTGPPSYKABP-HWKANZROSA-N 368.380 3.995 0 40 FHAB Cc1cc(C)n(CCC(=O)NCc2ccccc2CN2CCCC[C@H]2C)n1 76239305 UMRVHBMWFWUOHD-GOSISDBHSA-N 368.525 3.581 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)CSc1ccc(OC)cc1 20048918 SQDJEKHLDPHAOM-UHFFFAOYSA-N 372.490 3.956 0 40 FHAB COc1ccc(C2(C(=O)NCc3nccn3-c3ccccc3)CCC2)cc1 549101640 HVWCIBPMAXGJRT-UHFFFAOYSA-N 361.445 3.619 0 40 FHAB COc1cccc(-c2noc3nc(C4CC4)cc(C(=O)NCC(F)F)c23)c1 36619439 RSQXNSWWDZHSNN-UHFFFAOYSA-N 373.359 3.771 0 40 FHAB Cc1oc2cc(OS(C)(=O)=O)ccc2c(=O)c1-c1ccc(Cl)cc1 2407777 HTJGVAZGHZWLJW-UHFFFAOYSA-N 364.806 3.760 0 40 FHAB biogenic COc1ccc([C@H](NC(=O)Nc2nccn2-c2ccccc2)C2CC2)cn1 529082305 QVAOKSLUZDAVTE-GOSISDBHSA-N 363.421 3.549 0 40 FHAB COc1ccc(CCNC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 219852039 UYTMBPRVWCRTHL-UHFFFAOYSA-N 352.478 3.579 0 40 FHAB Cc1cccc(C)c1NC(=O)c1ccc(CSc2n[nH]c(N)n2)cc1 32117646 NNSYRJQPLKALQP-UHFFFAOYSA-N 353.451 3.548 0 40 FHAB CCOc1ccc(CNC(=O)COc2ccc(CC)cc2)cc1OCC 218954924 OCDNVWCQBTWUDL-UHFFFAOYSA-N 357.450 3.742 0 40 FHAB Cc1ccccc1C(=O)N1[C@H](C(=O)O)COC12CCC(C(C)(C)C)CC2 71980451 BCFDOCLFQKMTEC-LBKMDBTOSA-N 359.466 3.853 0 40 FHAB CCN(C)c1ncccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 72212814 PRHRMPBGLPSSRH-IBGZPJMESA-N 373.522 3.762 0 40 FHAB O=C(NCc1ccc(OCc2cccnc2)cc1)c1ccc(F)c(F)c1 40106769 LXGRDZNZLYWGDF-UHFFFAOYSA-N 354.356 3.869 0 40 FHAB O=C(NCc1ccnc(-c2cccnc2)c1)c1ccc(Br)cc1 225640526 XGRUZOGTWJKPPV-UHFFFAOYSA-N 368.234 3.836 0 40 FHAB COc1ccc(-c2noc(CNC(=S)Nc3ccccc3Cl)n2)cc1 225823436 JJJDOCHLGFQHLK-UHFFFAOYSA-N 374.853 3.885 0 40 FHAB O=S(=O)(c1ccc(Cl)cc1)[C@H]1[C@@H](CO)[C@@H]1c1ccc(Cl)cc1 225664885 NRFDIODVMCMEAO-JYJNAYRXSA-N 357.258 3.542 0 40 FHAB CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)N(CC2CC2)CC[C@@]1(C)O 514289933 OREHEZIHFYWYAU-CMKODMSKSA-N 364.555 3.577 0 40 FHAB biogenic,in-vitro COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)cc1 223780100 YMXHGECRBMIVRX-OALUTQOASA-N 364.474 3.904 0 40 FHAB COC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 223164086 IDLKZHNQHUIQFJ-CQSZACIVSA-N 353.418 3.758 0 40 FHAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CC 225288131 FFLCIZFTEDKYNZ-NRFANRHFSA-N 366.505 3.953 0 40 FHAB C[C@H](CCNC(=O)N1CC(C(C)(C)O)C1)c1cccc(C(F)(F)F)c1 331502806 ZHEMGKXAGGNSBI-GFCCVEGCSA-N 358.404 3.611 0 40 FHAB COc1cccc(CN2C[C@H](OCc3nc4ccccc4o3)[C@H](F)C2)c1 96112092 LMYLYIPDWSHCIX-APWZRJJASA-N 356.397 3.576 0 40 FHAB biogenic,in-vitro COc1ncccc1C(=O)N1CCC(Cc2ccnc3ccccc23)CC1 257239402 HPCRFTUDDWBAOI-UHFFFAOYSA-N 361.445 3.733 0 40 FHAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(C(=O)c4cscn4)[C@@H]3C[C@H]21 257335554 YKQYCLRWHAJGNF-UWIFEVILSA-N 370.474 3.675 0 40 FHAB O=C(c1ccncc1)N1CCC[C@@H](c2ncc(Cc3ccccc3F)o2)C1 257343623 ZTTRVDOFSRIOHC-QGZVFWFLSA-N 365.408 3.819 0 40 FHAB CC1(C)CC[C@H]2C[C@H](NC(=O)c3ccnc4c3CC(=O)N4)c3cccc1c32 613279534 QOCBIRYFICBQOA-SJCJKPOMSA-N 361.445 3.606 0 40 FHAB Cc1cc(CN2CCN(Cc3ccnc(C)c3)c3ccc(O)cc3C2)ccn1 621314530 ZYDIWSZRWNPONX-UHFFFAOYSA-N 374.488 3.821 0 40 FHAB CC(C)(CNC(=O)N[C@H]1CCc2c[nH]nc2C1)c1ccc2ccccc2c1 623754978 WOCUMRHOPTWNIE-IBGZPJMESA-N 362.477 3.697 0 40 FHAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)s1)c1noc2c1CCCC2 1775966435 DQXUGWLZHIIEGV-ZDUSSCGKSA-N 374.487 3.807 0 40 FHAB Cn1cc([C@@H](O)CNC(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21 96096455 QSBBELMRZCASCW-KRWDZBQOSA-N 362.351 3.661 0 40 FHAB CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)Nc1cccc(-c2cnco2)c1 585101430 MXERWRVBHWRUOW-SJLPKXTDSA-N 366.421 3.664 0 40 FHAB CC(=O)N1CC[C@@H]2[C@H]1CCCCN2C[C@]1(O)CC[C@@H](c2ccccc2)CC1 585282319 DMGUBLPPFCOWNJ-ODAXIHTASA-N 370.537 3.551 0 40 FHAB CN(C(=O)COCc1nc2ccccc2s1)[C@H]1CCc2ccccc21 37149157 MRGAMGYCGUBDTL-KRWDZBQOSA-N 352.459 3.959 0 40 FHAB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(C)c2)cc1 11290067 UXPGJIRISIGIRF-SFQUDFHCSA-N 364.401 3.726 0 40 FHAB CC(=O)c1cc(C)ccc1OC(=O)[C@]1(C)Cc2ccc(C)cc2C(=O)O1 11690117 ISWBAQDAUGRPAK-NRFANRHFSA-N 352.386 3.583 0 40 FHAB Cc1ccc(C2(O)CCN(Cc3cc(Cl)c4c(c3)OCO4)CC2)cc1 12292864 JAUCJWVRPZOEHL-UHFFFAOYSA-N 359.853 3.861 0 40 FHAB CCCOc1c(Br)cc(/C=C2\SC(=O)NC2=O)cc1OC 14129551 LTOBYYOYHGOIJL-XFFZJAGNSA-N 372.240 3.570 0 40 FHAB COc1ccc([C@@H](NS(=O)(=O)c2cccc(C(C)=O)c2)C(C)C)cc1 14185641 QHIMBVVSPPPKPO-IBGZPJMESA-N 361.463 3.573 0 40 FHAB Cc1cccc(N2C[C@H](C(=O)Nc3ccccc3OC(F)F)CC2=O)c1C 15993546 NEDLWBKFRWRWSI-CQSZACIVSA-N 374.387 3.896 0 40 FHAB Cc1ccc(C(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)c(=O)n1C 19131893 VVSYMGKHVHAVSE-UHFFFAOYSA-N 364.430 3.551 0 40 FHAB Cc1ccsc1CN(CCCN1CCOCC1)Cc1cccs1 19238587 JYKZYBCUHHIHDC-UHFFFAOYSA-N 350.553 3.843 0 40 FHAB CCC[C@H](c1nnnn1C1CCCCC1)N1CCN(C2CCCC2)CC1 19501872 NOMZDXQKBZKFOS-LJQANCHMSA-N 360.550 3.580 0 40 FHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@@H]4C[C@@H]4C)C3)cc2N1 19520787 IBDNXZBAMCWNDX-KMCWBVRRSA-N 370.419 3.553 0 40 FHAB CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(CC)cc2)cc1 7255419 ANDYOXSIKUAUHV-NTEUORMPSA-N 353.418 3.843 0 40 FHAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(OC(F)F)c1 4933051 VKIWHQNLGRONGR-UHFFFAOYSA-N 360.404 3.682 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2Br)cc1 7306122 PXPVJHYECZZCRP-GFCCVEGCSA-N 354.269 3.797 0 40 FHAB COc1ccccc1N1CCN(C(=O)CCc2ccc(C)c(Cl)c2)CC1 10741924 BMKLTOBUJKNMGZ-UHFFFAOYSA-N 372.896 3.938 0 40 FHAB COc1ccccc1C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21 4305059 OCRLSGANSUNJAV-IBGZPJMESA-N 362.429 3.822 0 40 FHAB Cc1nc2sc(C)c(C)n2c(=O)c1NC(=O)c1c(F)cccc1Cl 11768678 ZMDZNNJMBOIPNO-UHFFFAOYSA-N 365.817 3.726 0 40 FHAB Cc1c(S(=O)(=O)c2ccc(Cl)cc2)c(N)n(Cc2ccco2)c1C 12372578 QHSZVXHAYBMECF-UHFFFAOYSA-N 364.854 3.815 0 40 FHAB COc1cccc2cc(C(=O)N3CC[C@H](c4ccc5c(c4)OCO5)C3)oc12 225676523 SKPXAUYPXIDIEK-HNNXBMFYSA-N 365.385 3.800 0 40 FHAB CCOc1ccc(NC(=O)CSc2ncccc2-c2nc(C)no2)cc1 49406986 KMPWYVGEKXRVNI-UHFFFAOYSA-N 370.434 3.570 0 40 FHAB O=C(NC[C@@H](c1ccsc1)n1cccn1)c1ccccc1C(F)(F)F 575612943 DTAPFLQLLFKYKE-HNNXBMFYSA-N 365.380 3.983 0 40 FHAB C=CC(=O)Nc1cccc(C(=O)NC2(Cc3cccc(F)c3)CCC2)c1 1625656211 YIZLOFVFPHLCNC-UHFFFAOYSA-N 352.409 3.845 0 40 FHAB C[C@@](O)(CNC(=O)C1c2ccccc2Oc2ccccc21)Cc1ccco1 206616915 OZXQFCDHBGNWNL-QFIPXVFZSA-N 363.413 3.627 0 40 FHAB O=C(C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)N1CCSCC1 2298212758 BLEQICXKAZRIPW-UHFFFAOYSA-N 373.349 3.781 0 40 FHAB Cc1noc(C)c1CN1CCN(Cc2ccccc2C(F)(F)F)CC1 65682225 CUPVEZZAIZJJKH-UHFFFAOYSA-N 353.388 3.628 0 40 FHAB COc1ccc(CC(=O)Nc2ccc(OC(C)C)c(OC)c2)cc1OC 12401653 LXMACNMDCCCXCY-UHFFFAOYSA-N 359.422 3.681 0 40 FHAB C[C@H]1C[C@@H](C)CN(C(=O)c2cccc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)C1 17073703 SRAMYIJDMNTNGV-USTZCAOPSA-N 356.510 3.923 0 40 FHAB CC[C@H](C(=O)OCc1cc(=O)n2cc(Cl)ccc2n1)c1ccccc1 26718838 FFJPTRWRZRSOIX-INIZCTEOSA-N 356.809 3.585 0 40 FHAB O=C(c1[nH]c2ccccc2c1Cl)N1CCN(c2ccc(F)cc2)CC1 40143240 FSYYGNZYJDVRBB-UHFFFAOYSA-N 357.816 3.923 0 40 FHAB CC(C)S(=O)(=O)c1ccc(C(=O)NCCCCc2ccccc2)cc1 40132145 GGRJTPJYSRAVBY-UHFFFAOYSA-N 359.491 3.621 0 40 FHAB CCOc1ccc(NC(=O)c2ccc(-n3ccnc3)cc2)cc1OCC 30654083 QJPGHJNRKUXGGH-UHFFFAOYSA-N 351.406 3.922 0 40 FHAB CC(=O)c1cc(CCC(=O)NCCc2cccc3cccnc23)oc1C 32076434 ZRMRUVTUPRSNGY-UHFFFAOYSA-N 350.418 3.630 0 40 FHAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(F)cc3C)n2)cc1 32579573 IJQCCEOVDFZJOU-UHFFFAOYSA-N 356.426 3.958 0 40 FHAB CC(C)CCNC(=O)C1CCN(Cc2cccc(Br)c2)CC1 52043311 XLYHTEJIAQYJST-UHFFFAOYSA-N 367.331 3.823 0 40 FHAB COc1cc(S(=O)(=O)Oc2cc(C)cc(C)c2)c(OC)cc1Cl 32602110 PTGNDPBADYZQEB-UHFFFAOYSA-N 356.827 3.742 0 40 FHAB Cc1nc(SCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c2ccccc2n1 102325799 WMVCCAKABNTHHY-NZUILWFCSA-N 355.507 3.971 0 40 FHAB CC(=O)c1ccc(OCCC(=O)OCc2nc3ccccc3nc2C)cc1 32899856 GRXPLOODWCWVEJ-UHFFFAOYSA-N 364.401 3.653 0 40 FHAB Cc1nc(/C=C/C(=O)N(Cc2nnc(-c3ccccc3)o2)C(C)C)cs1 32895987 BXVCCMINEIKAAC-MDZDMXLPSA-N 368.462 3.952 0 40 FHAB CNC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)cc1 32903325 YQLIMONFIYYTAR-UHFFFAOYSA-N 371.396 3.902 0 40 FHAB CN1CCN(Cc2ccccc2C(=O)c2cc(Cl)ccc2Cl)CC1 22028245 PGYXSCHPVLANDS-UHFFFAOYSA-N 363.288 3.972 0 40 FHAB CC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2C)c1 674977 DTACXZOUSPAVDZ-UHFFFAOYSA-N 362.223 3.978 0 40 FHAB CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2ccccc2F)NC(=O)N1 641253 HTBAPVOOEXTYAL-GOSISDBHSA-N 353.397 3.709 0 40 FHAB COc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCCCCC2 668601 HEUZLSCDYXDLSM-UHFFFAOYSA-N 358.463 3.767 0 40 FHAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(OC(F)(F)F)cc1 1070915 JNOPLZDWECDYIV-HNNXBMFYSA-N 369.295 3.884 0 40 FHAB COc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cn2)cc1 1358504 HKRZTTOJSUEJHG-UHFFFAOYSA-N 361.401 3.524 0 40 FHAB O=C(Nc1ccccc1)c1nn(-c2ccc(F)cc2)c(=O)c2ccccc12 1399935 JAVJGFRNRNEIBW-UHFFFAOYSA-N 359.360 3.777 0 40 FHAB O=C(COC(=O)/C=C/c1cccc(F)c1)Nc1ccccc1OC(F)F 3430835 LNJSWDBUTWSLON-CMDGGOBGSA-N 365.307 3.622 0 40 FHAB COc1cc(CC(=O)Nc2ccc(C(F)(F)F)cc2)cc(OC)c1OC 3566755 JVLYHZWOWGDCBP-UHFFFAOYSA-N 369.339 3.912 0 40 FHAB Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCCCC1 3885394 SMMGKKGMWHLNNQ-UHFFFAOYSA-N 365.886 3.713 0 40 FHAB C[C@H](NC[C@H]1C(=O)O[C@@H]2CC3=CCC[C@@H](C)[C@@]3(C)[C@@H](O)[C@H]12)c1ccccc1 4028413 YSIINEYFHDVBCW-JQURXHQRSA-N 369.505 3.622 0 40 FHAB biogenic CCN(CC)C(=S)Oc1cccc(C(=O)Nc2ccc(OC)cc2)c1 4357193 PRYMUTXEFDAQJO-UHFFFAOYSA-N 358.463 3.953 0 40 FHAB O=C(CSc1ccc(-c2ccncc2)nn1)Nc1ccc(F)c(F)c1 4392071 IPSDZDWUIQIMTD-UHFFFAOYSA-N 358.373 3.548 0 40 FHAB CCCc1nnc(SCC(=O)Nc2cccc(CC)c2)n1-n1cccc1 4518537 RIGXYJYATLDDNQ-UHFFFAOYSA-N 369.494 3.637 0 40 FHAB Cc1ccc(S(=O)(=O)c2nc(NC[C@@H]3CCCO3)sc2Cl)cc1 5043355 PDMPWYLYNZCOLH-NSHDSACASA-N 372.899 3.529 0 40 FHAB COc1ccccc1C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2 5252296 BDUNESKZNWSPBD-UHFFFAOYSA-N 350.418 3.637 0 40 FHAB CCCCC(=O)Nc1cc(-n2c(C)nc3ccccc3c2=O)ccc1F 5259112 OQUDSLQCNJBIOB-UHFFFAOYSA-N 353.397 3.962 0 40 FHAB COc1cc2c(cc1OC)[C@H](C)N(CC(=O)Nc1ccc(C)cc1)CC2 5426872 XTXPRYMZLAZNTC-HNNXBMFYSA-N 354.450 3.570 0 40 FHAB O=C(CSc1ccc(-c2cccnc2)nn1)Nc1ccccc1Cl 5442333 RHXROBYMQFFIGA-UHFFFAOYSA-N 356.838 3.923 0 40 FHAB O=C(Nc1ccccc1C(=O)NC1CC1)c1cccc(Br)c1 5550190 LJULUZIPJSQUFG-UHFFFAOYSA-N 359.223 3.594 0 40 FHAB C[C@@H](C(=O)Oc1ccc(-c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O 6182890 OSLSMVBBUWSKQF-HNNXBMFYSA-N 371.392 3.944 0 40 FHAB COc1ccc(COC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1F 6213208 FVPZTCZZPADTQG-UHFFFAOYSA-N 354.381 3.994 0 40 FHAB Cn1c(CC(=O)Nc2ccccc2)nnc1SCc1ccccc1Cl 6223903 CSMUMNKPDPBLQW-UHFFFAOYSA-N 372.881 3.942 0 40 FHAB CCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1cccc(C)c1 6629632 STUKQTYAAAHSFY-UHFFFAOYSA-N 366.490 3.861 0 40 FHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)CNc2nc3ccccc3s2)cc1 6654284 NTNJFYOXZMHKKC-CYBMUJFWSA-N 354.431 3.831 0 40 FHAB CNc1oc(/C=C/c2cccc(OC)c2)nc1S(=O)(=O)c1ccccc1 6662130 LSBMGNOGBYODLA-VAWYXSNFSA-N 370.430 3.728 0 40 FHAB COc1cc(C(=O)Nc2nc3c(OC)cccc3s2)cc(OC)c1OC 6928201 KPCKPDXEVCBKPV-UHFFFAOYSA-N 374.418 3.583 0 40 FHAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc(F)c(Cl)c1 7132529 VENAWSNNBUUQAB-CQSZACIVSA-N 354.834 3.934 0 40 FHAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1ccc(C)c(C)c1 7374131 BTENQHICBYPQQY-CTNGQTDRSA-N 370.518 3.608 0 40 FHAB Cc1ccc2nc(COC(=O)c3oc4c(F)cccc4c3C)cc(=O)n2c1 7510361 GGROHMOIDTZHOY-UHFFFAOYSA-N 366.348 3.554 0 40 FHAB Cc1cccc(N2C[C@H](C(=O)NCc3ccc(Cl)cc3)CC2=O)c1C 7608657 VKXWUYDPKJETFX-MRXNPFEDSA-N 356.853 3.626 0 40 FHAB CC(=O)N[C@@H](CC(=O)Nc1ccc(Br)cc1)c1ccccc1 7609523 VPKYPYPQDQACPX-INIZCTEOSA-N 361.239 3.655 0 40 FHAB COCc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)oc2ccccc12 7779794 FMTKABCSOSPZKH-UHFFFAOYSA-N 366.417 3.668 0 40 FHAB O=C(NCc1ccccc1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 7928392 YMGMYSJEEAEODC-ZDUSSCGKSA-N 363.244 3.663 0 40 FHAB CCOc1cc(CNC[C@H](C)O)cc(Cl)c1OCc1ccccc1F 8254171 YYKRQEUASAFVCR-ZDUSSCGKSA-N 367.848 3.927 0 40 FHAB COc1cc(OC)cc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 10544461 GZSDKNVIYOPEOU-CQSZACIVSA-N 365.433 3.600 0 40 FHAB Cc1ccc(OS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)cc1 11851913 LBLJSFQAADKPIR-UHFFFAOYSA-N 353.399 3.506 0 40 FHAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)Cn2nc(C)c(C)c2C)n1 12227430 FSRDKGHNOBJXPC-MRXNPFEDSA-N 374.535 3.735 0 40 FHAB COc1cc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)c(Cl)cc1O 12366552 GVADAQYAJQFZST-BLLLJJGKSA-N 350.846 3.852 0 40 FHAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccccc1N1CCCC1 12526655 IKKDOSJNNHBYKE-UHFFFAOYSA-N 371.868 3.699 0 40 FHAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1cccc(NS(C)(=O)=O)c1 12536069 WQKLLFRYHFEAFL-CYBMUJFWSA-N 372.446 3.638 0 40 FHAB CCN(CC)C(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)[nH]n2)c1 12556770 GDODYFDNOGYHJU-UHFFFAOYSA-N 362.433 3.811 0 40 FHAB FC(F)(F)c1ccc(CNc2ccc3nnc(C(F)(F)F)n3n2)cc1 12602249 PMHWNKAPFBNDNW-UHFFFAOYSA-N 361.249 3.774 0 40 FHAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccc(Cl)cc1F 12772267 YDCLFGMAHLRYDT-UHFFFAOYSA-N 373.815 3.834 0 40 FHAB CCOC(=O)c1cn2nc(SCc3ccc(Cl)cc3)nc2nc1C 14165262 NLMCNRBYQFFKIW-UHFFFAOYSA-N 362.842 3.555 0 40 FHAB Cc1cccc(C)c1NC(=O)CN(C)Cc1nc(-c2ccc(F)cc2)no1 14202425 RDIVWQRZALIIFA-UHFFFAOYSA-N 368.412 3.563 0 40 FHAB CC(C)COc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1 15033247 VTVHZYXSNIJEES-UHFFFAOYSA-N 359.466 3.885 0 40 FHAB O=S(=O)(N[C@@H]1CCSc2ccc(F)cc21)c1cc(F)ccc1F 15360056 UQJZQHVNDYKZHZ-CYBMUJFWSA-N 359.394 3.619 0 40 FHAB C[C@@H](C(=O)NCc1cccs1)N(C)Cc1ccccc1Br 16388663 NKHBARCGZHHUNB-LBPRGKRZSA-N 367.312 3.647 0 40 FHAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)CC2CCCCC2)cc1 16740380 MVPCWKZFTODEDY-CQSZACIVSA-N 352.500 3.672 0 40 FHAB CCn1cc(CN2CC[C@@H]3[C@H]2CCCCN3C(C)=O)c2cc(OC)ccc21 19712469 SBNKCWHRQJTTCB-FGZHOGPDSA-N 369.509 3.645 0 40 FHAB COc1ccc(C(=O)Nc2cccc(-c3cn4ccc(C)cc4n3)c2)cn1 19719160 LRAIOMGKOOLICK-UHFFFAOYSA-N 358.401 3.966 0 40 FHAB CCC(=O)N1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 20572682 SHPPZGJHUDUDPR-UHFFFAOYSA-N 371.289 3.903 0 40 FHAB O=C(NCCOc1ccc(Cl)cc1)c1ccc(Br)cc1 21904398 MWOFDIPRAJBMIM-UHFFFAOYSA-N 354.631 3.911 0 40 FHAB Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(N(C)C)nc3)o2)cc1C 22421397 DTHVWAKKVSVIKY-UHFFFAOYSA-N 364.449 3.991 0 40 FHAB Cc1nc2sc([C@H](c3cccs3)N3C[C@H](C)C[C@@H](C)C3)c(O)n2n1 23158198 DUJNAGSMLZWJSU-GYSYKLTISA-N 362.524 3.934 0 40 FHAB COC(=O)CS[C@@H](C)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 23647137 KFBJIZKSZSIJEP-JTQLQIEISA-N 360.460 3.619 0 40 FHAB COc1ccc(-c2nnc(SCc3nc(-c4ccco4)no3)o2)cc1 24843145 LKYRANNSCPZSBH-UHFFFAOYSA-N 356.363 3.681 0 40 FHAB CNC(=O)c1ccc(C)c(NC(=O)CCC(=O)c2ccc(C)c(C)c2)c1 24922140 QSVLMGDVBPUNEQ-UHFFFAOYSA-N 352.434 3.573 0 40 FHAB Cc1cc(CN(C)C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)no1 25137269 DPQJXYFKWRLKFS-UHFFFAOYSA-N 373.416 3.503 0 40 FHAB O=c1n(CCSCc2ccc(Cl)cc2Cl)nc2ccccn12 28907367 UTYWBDNZPNFEFM-UHFFFAOYSA-N 354.262 3.736 0 40 FHAB O=C(c1ccc2[nH]nnc2c1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 30300701 YZQKIUVNZIGUDY-UHFFFAOYSA-N 360.339 3.782 0 40 FHAB CCn1c(=O)c2ccccc2n2c(COc3ccc(C(C)C)cc3)nnc12 31556798 NSOWAAMCTBWIBJ-UHFFFAOYSA-N 362.433 3.767 0 40 FHAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCSc1ccc(F)cc1 32738249 XJWAPICYOGBHGQ-UHFFFAOYSA-N 367.467 3.659 0 40 FHAB CC(C)[C@@H](NC(=O)NCc1ccc2c(c1)OCCO2)c1ccc(F)cc1 32889552 JLXRTCHNFJWSIV-LJQANCHMSA-N 358.413 3.793 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Br)cc2F)c1C 33000745 PCCNPSNPWCGLPJ-UHFFFAOYSA-N 353.191 3.988 0 40 FHAB O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)Nc1cccnc1 33012583 ZFOCYKZZIMZUTN-UHFFFAOYSA-N 372.384 3.816 0 40 FHAB c1ccc(-n2nnnc2C2(N3CCCCC3)C3CC4CC(C3)CC2C4)cc1 35170789 HBOVLNADQUUXMJ-UHFFFAOYSA-N 363.509 3.800 0 40 FHAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(C)cc2)cc1 35289383 OHABEKVBSOOCLT-GOSISDBHSA-N 353.422 3.639 0 40 FHAB CN(C)c1ccc(-c2noc([C@@H]3CCCN3CC3CCCCC3)n2)cn1 35426233 UWRHLIHOJUNFMU-KRWDZBQOSA-N 355.486 3.915 0 40 FHAB biogenic,in-vitro Cc1cc(C(=O)N2CCC[C@@H](C)C2)c2cnn(-c3ccccc3F)c2n1 36616417 GLJQYELKAUGFPO-CYBMUJFWSA-N 352.413 3.740 0 40 FHAB COc1ccc(OC)c(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 38834776 VBXHZWNUQHQSCD-INIZCTEOSA-N 372.440 3.694 0 40 FHAB CCCCCCNC(=O)Nc1cc2c(cc1Br)OCCO2 40023758 JIVMNOPLLYDUOZ-UHFFFAOYSA-N 357.248 3.922 0 40 FHAB NC(=O)N[C@H](CC(=O)Nc1cccc2c1CCCC2)c1ccccc1Cl 40159399 NXBVUKZJFAYCCI-GOSISDBHSA-N 371.868 3.957 0 40 FHAB CC[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1C)c1ccc(C)cc1 44883975 LONOBDZBRSGQIM-QGZVFWFLSA-N 360.479 3.556 0 40 FHAB CCc1ccc(NC(=O)Cn2cnc3c(sc4ccccc43)c2=O)cc1 45942836 WXYXFZOGXNFBEB-UHFFFAOYSA-N 363.442 3.812 0 40 FHAB C[C@H]1C[C@@H](C)CN(CCCCNC(=O)Nc2ccccc2-n2cccn2)C1 48314887 AIBWXVXKRGBGCT-HDICACEKSA-N 369.513 3.752 0 40 FHAB CCOC(=O)Cc1csc(S[C@@H](C)C(=O)c2ccc(F)cc2)n1 48325861 QWCYFGSAUGGFKF-JTQLQIEISA-N 353.440 3.751 0 40 FHAB COc1ccc(Cl)cc1-n1nnc(C(=O)N[C@@H](C)c2ccccc2)c1C 51317590 IMJPXKYQGWWTIN-LBPRGKRZSA-N 370.840 3.729 0 40 FHAB CC(C)c1ccc(-c2noc(CN3CCN(c4nccs4)CC3)n2)cc1 54621284 RXSAFFULJFEYNX-UHFFFAOYSA-N 369.494 3.639 0 40 FHAB O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccoc1 55453114 QYDUAMHKVODZHB-UHFFFAOYSA-N 353.340 3.777 0 40 FHAB Cc1nc(C)c([C@@H](C)NC(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)s1 56023604 IKUMMXLVKKEVDP-ASJRZHAZSA-N 369.490 3.543 0 40 FHAB CCCc1noc2ncc(C(=O)NCCCCOc3ccccc3)cc12 58060110 BWRZFECRNMULRK-UHFFFAOYSA-N 353.422 3.764 0 40 FHAB CCN(CC)C(=O)C1CCN(C(=O)N[C@@H](C)c2cc(C)sc2C)CC1 58292054 XEHYSRVSCHWDMB-AWEZNQCLSA-N 365.543 3.716 0 40 FHAB O=C(c1ccoc1)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 58413088 MVPXHXCBTOVSQD-UHFFFAOYSA-N 357.360 3.968 0 40 FHAB Nc1c(-c2ccccn2)nsc1C(=O)NCc1ccc(F)cc1Cl 65149895 UKZPHFDIQDAOQS-UHFFFAOYSA-N 362.817 3.510 0 40 FHAB COc1cccc([C@H](C)NC(=O)COC(=O)c2ccc(F)c(Cl)c2)c1 67198011 CIBKXAXSTLCIDS-NSHDSACASA-N 365.788 3.522 0 40 FHAB FC(F)(F)Oc1ccccc1Cc1nnc2sc(C3CCC3)nn12 71284146 ZCJASYIKUXXWMB-UHFFFAOYSA-N 354.357 3.943 0 40 FHAB COc1ccccc1C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 78652813 FPLUIFSAWMZCQN-UHFFFAOYSA-N 361.463 3.661 0 40 FHAB CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)CCNC(=O)c1ccc(F)cc1 78877854 FLYSBVRWUGLUFC-HXUWFJFHSA-N 370.468 3.734 0 40 FHAB Cc1cc(C)nc(SCc2ccc(C(=O)NCCCOC(C)C)o2)n1 79488114 VMZFKCVLVYRMML-UHFFFAOYSA-N 363.483 3.524 0 40 FHAB O=C(NCC[C@H](O)c1ccoc1)NC(c1ccccc1)c1ccccc1 90613389 DFOSAMKUTRRKNU-IBGZPJMESA-N 350.418 3.792 0 40 FHAB CC[C@]1(C(=O)N(C)Cc2cccs2)CCCN1C(=O)OC(C)(C)C 95458703 OUUHILIDBTUVAK-GOSISDBHSA-N 352.500 3.886 0 40 FHAB O=C(C1CCOCC1)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1 96001371 QRCIPPAFRDDBSL-KRWDZBQOSA-N 373.428 3.746 0 40 FHAB O=C(Cc1cccs1)N1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 96109323 HEIQWWCVXRGEDR-XLIONFOSSA-N 356.491 3.531 0 40 FHAB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1ccccc1Cl)CC3 96792792 PPUOXGLFALDJJD-XFXZXTDPSA-N 352.777 3.692 0 40 FHAB Cc1c2c(=O)n(-c3nc4ccccc4s3)nc-2cc(O)n1CCC(C)C 100429830 SFPZULCFNFVJKB-UHFFFAOYSA-N 368.462 3.809 0 40 FHAB COc1cccc(OCCc2nnc(NC(=O)C3[C@H]4CCCC[C@H]34)s2)c1 100772944 LQILKOKJXSEELU-GJZGRUSLSA-N 373.478 3.543 0 40 FHAB Cc1ccn(C(=O)CCc2nc(C(C)C)no2)/c(=N/C2CCCCC2)c1 102168516 VTIRBLDKFRGEQK-HEHNFIMWSA-N 356.470 3.809 0 40 FHAB CCn1c(S)nc2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2c1=O 102333700 XTXLXTVMELANIQ-UHFFFAOYSA-N 353.447 3.574 0 40 FHAB C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)[C@@H]1C[C@H]2CC[C@H]1C2 109015740 NOSLJEHASHQEEW-WOYTXXSLSA-N 360.523 3.541 0 40 FHAB Cc1nc(N2CCN(C(=O)c3c(C)[nH]c4ccccc34)CC2)sc1C 126303112 HDZYIOHPNMNPBH-UHFFFAOYSA-N 354.479 3.512 0 40 FHAB COc1cc([C@H](C)NC(=O)c2ccn(-c3ccccc3F)n2)ccc1F 157053995 PIDVZGNEVKTVEK-LBPRGKRZSA-N 357.360 3.650 0 40 FHAB O=C(NCC[C@@H](CCO)c1ccccc1)c1ccc(C(F)(F)F)cc1 206625978 SRPKCRNKDRDSQS-HNNXBMFYSA-N 351.368 3.992 0 40 FHAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222719087 NBYIAYRWGZLJAC-QAPCUYQASA-N 355.434 3.801 0 40 FHAB C[C@@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc2c(c1)CCC2 223196500 FRDMDKXPDITDSH-MRXNPFEDSA-N 350.462 3.503 0 40 FHAB O=C(CSCc1ccc(F)cc1)NCCOc1ccccc1Cl 224378738 VBFVBBUALCQCOQ-UHFFFAOYSA-N 353.846 3.908 0 40 FHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225052397 LHBJPBDWCJBVNW-SNVBAGLBSA-N 362.838 3.659 0 40 FHAB Cc1nc(-c2cc(F)ccc2C(=O)O)cc([C@@H]2CCCN(C(C)C)C2)n1 257252453 JUVBWMYLPJHEFJ-CQSZACIVSA-N 357.429 3.877 0 40 FHAB Cc1cc2nc([C@H]3CCCCN3C(=O)c3ccc(F)cc3F)ccn2n1 257260542 LDHYZFZAUIIMNT-QGZVFWFLSA-N 356.376 3.683 0 40 FHAB Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(-c3c(C)noc3C)cn2)on1 257263853 LRTHCOVSYIABBI-MRXNPFEDSA-N 352.394 3.627 0 40 FHAB Cc1nc(-c2nccn2C)cc([C@H]2CCCCN2C(=O)c2ccccc2)n1 257266996 MFLKHKUZAPEVAV-LJQANCHMSA-N 361.449 3.553 0 40 FHAB CSCC[C@@H](NC(=O)Cn1c(C)ccc1C)c1nc2ccccc2[nH]1 526052583 OYCWRUUHDIUYMU-QGZVFWFLSA-N 356.495 3.592 0 40 FHAB O=C(NCc1cc(F)cc2c1OCOC2)[C@@H]1CC[C@@H]1c1ccc(F)cc1 528361785 AVWWVZVFBOBWPI-QZTJIDSGSA-N 359.372 3.641 0 40 FHAB CCOC(=O)N1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(O)c(OCC)c1 585177415 IJCUOQSFSYMMDY-XFQXTVEOSA-N 363.454 3.616 0 40 FHAB COc1cccc(-c2nc(N3CC[C@H]4COC[C@@H]4C3)c3ccccc3n2)c1 664552547 IZFCVBIDMBBZJZ-IRXDYDNUSA-N 361.445 3.778 0 40 FHAB Cc1ncc(C)n2nc(C3=C(c4nc5c6cccnc6ccn5c4C)C3)nc12 1560403857 YFDDENBSHMPPEI-UHFFFAOYSA-N 367.416 3.560 0 40 FHAB c1ccc2c(c1)OCCCCCN=C(N1CCOCC1)c1cccnc1O2 1615138641 AVYCYORVYLMRMT-UHFFFAOYSA-N 367.449 3.515 0 40 FHAB Cc1ncoc1C(=O)N1CCC[C@@]12CN(c1cccc(F)c1)C(C)(C)C2 1615152645 BOAYVEHCWVJKEE-HXUWFJFHSA-N 357.429 3.786 0 40 FHAB Cc1ccsc1CN1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 1615157035 NPPXTEPEADIQKM-UHFFFAOYSA-N 374.481 3.594 0 40 FHAB Cc1cc(Cl)cc2sc(N3CCn4c(nnc4C(F)(F)F)C3)nc12 2298065702 BNGPKRCBCRLXKW-UHFFFAOYSA-N 373.791 3.889 0 40 FHAB CN(Cc1ccc(Br)cc1)C(=O)C1=Cc2ccccc2OC1 61205564 BYTCRGBGRCPSIP-UHFFFAOYSA-N 358.235 3.884 0 40 FHAB COc1ccc(C)cc1[C@H](C)NC(=O)Nc1cc(C(=O)N(C)C)ccc1C 61555500 MWYVHTCIHPROEK-HNNXBMFYSA-N 369.465 3.897 0 40 FHAB COc1cc2c(cc1CCCc1cc(OC)c(OC)c(OC)c1)OCO2 1611535 SXATVSLLRBWTHC-UHFFFAOYSA-N 360.406 3.625 0 40 FHAB CCOC(=O)c1oc2ccccc2c1CN1CCC(C2(C)OCCO2)CC1 79074976 SAUACCONPZROTA-UHFFFAOYSA-N 373.449 3.585 0 40 FHAB O=C(COc1ccccc1)Nc1ccc(-n2cnc(Cl)c2Cl)nc1 61719319 GTFPSEPPZLNWLL-UHFFFAOYSA-N 363.204 3.592 0 40 FHAB O=C(c1ccc(O)c(Br)c1)c1ccc(O)c(Br)c1 4404377 AASBDOJNAWKWHT-UHFFFAOYSA-N 372.012 3.854 0 40 FHAB Cc1ccc(S(=O)(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)cc1 1016822 PXEKRCRFXZNKCG-INIZCTEOSA-N 356.403 3.721 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1C 8040654 HTVUVRAWPQLELI-QGZVFWFLSA-N 366.461 3.945 0 40 FHAB COc1ccc(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2)cc1OC 8516976 KZEFQCQTIIIUOX-QGZVFWFLSA-N 363.479 3.770 0 40 FHAB CC(C)COc1ccc(CC(=O)N2CC[C@H](O)c3ccccc3C2)cc1 95467813 NLUQAFMAZMPXKU-NRFANRHFSA-N 353.462 3.730 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(F)cc1 12559756 KSXDUWXHMSEXSO-SFHVURJKSA-N 357.816 3.661 0 40 FHAB Cc1nn(CCC(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c(C)c1Br 101616432 NETKLWUSJJMSHT-CJYSPXJISA-N 368.319 3.593 0 40 FHAB O=C(NC[C@@H]1CCCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)C1)Nc1cccc(F)c1 106866939 BSAAOHVDBOJIDI-FPXQBCRKSA-N 373.472 3.622 0 40 FHAB O=C1C[C@@H](c2cccs2)Cc2c1cnc1[nH]n(-c3ccccc3)c(=O)c21 9134537 TUQGCQTVQBENRT-LBPRGKRZSA-N 361.426 3.688 0 40 FHAB N=c1nc(-c2ccccc2)c(-c2ccccc2)nn1CC(=O)c1ccccc1 104243362 DJVKWCQUGQLXTB-UHFFFAOYSA-N 366.424 3.974 0 40 FHAB C[C@@H]1CCc2c(sc3ncnc(OCC(=O)NCc4cccs4)c23)C1 3271350 MEBNLKXMTJEEBZ-LLVKDONJSA-N 373.503 3.573 0 40 FHAB CCCOC(=O)Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O 1777246 JAKBETNYAOUZHU-UHFFFAOYSA-N 362.838 3.732 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3c(C)cccc3C)n[nH]2)c(OC)c1 57412854 JUXADJITYAJKAJ-UHFFFAOYSA-N 351.406 3.963 0 40 FHAB CC1(C)[C@@H]2CC[C@]1(C)c1nc(SCC(=O)Nc3ccc(F)cc3)nnc12 100265456 CLIQVSCEPAGLMN-BFUOFWGJSA-N 372.469 3.916 0 40 FHAB C[C@@H](Sc1nnc(N2CCCC2)n1C1CC1)c1nc(C(C)(C)C)no1 48325930 OKOVQGATKXJEKJ-LLVKDONJSA-N 362.503 3.747 0 40 FHAB CCOC(=O)Nc1ccc2c(COC(=O)[C@H]3CC=CCC3)cc(=O)oc2c1 10849326 MZLRFTTWJNVBAD-ZDUSSCGKSA-N 371.389 3.761 0 40 FHAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)c1ccccc1 12876114 VJECWCATGAVYCD-LPHOPBHVSA-N 354.450 3.815 0 40 FHAB CN(Cc1ccc(Cl)cc1)C(=O)C[C@@H]1Sc2ccccc2NC1=O 24664986 UYJHOHBPYYORRA-INIZCTEOSA-N 360.866 3.802 0 40 FHAB Cc1cc(C)c(NC(=O)CSc2nc3ccsc3c(=O)n2C)c(C)c1 26099868 CYQFEPDEUAEJEX-UHFFFAOYSA-N 373.503 3.651 0 40 FHAB Cc1cccc(C)c1OCC(=O)Nc1nc(-c2ccc(F)cc2)ns1 11913949 AHIHONCSTILPEQ-UHFFFAOYSA-N 357.410 3.979 0 40 FHAB COc1ccc(NC(=S)NCCCc2ccc(OC)c(OC)c2)cc1 64936506 XROOGRKQMLRFRE-UHFFFAOYSA-N 360.479 3.632 0 40 FHAB Cc1ccc(-c2nnc(CCC(=O)NCCCOc3ccccc3)o2)cc1 39998476 ADOKJCAESWKSMF-UHFFFAOYSA-N 365.433 3.563 0 40 FHAB CCOc1ccc(NC(=O)CSCC(=O)N(C)C2CCCCC2)cc1 13985935 YASSQCDZTCFSFH-UHFFFAOYSA-N 364.511 3.548 0 40 FHAB O=C(NCc1ccccc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 6337331 MEYCDBKDKHRFCC-UHFFFAOYSA-N 356.853 3.509 0 40 FHAB O=C(COc1ccc(F)cc1Br)NCc1cccc(Cl)c1 6377512 JSKKGOSKXOJMES-UHFFFAOYSA-N 372.621 3.937 0 40 FHAB O=C(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)C1CCCC1 4865412 MJUKJNWJSHBYES-UHFFFAOYSA-N 362.426 3.755 0 40 FHAB O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccc(F)c(F)c1 6944197 VLKFZVGQOQTCQA-UHFFFAOYSA-N 358.344 3.561 0 40 FHAB COc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c(OC)c1 9467895 OUEZGMYGLRIJKF-UHFFFAOYSA-N 368.263 3.873 0 40 FHAB CC(C)c1ccccc1NC(=O)COc1ccc(N2CCCC2=O)cc1 7062606 OGYNECXUTCUZHG-UHFFFAOYSA-N 352.434 3.954 0 40 FHAB Cc1cccc(C)c1NC(=O)CN(C)[C@H](C)c1ccc(-n2cncn2)cc1 9446052 FAARFNUZNJIOLQ-QGZVFWFLSA-N 363.465 3.516 0 40 FHAB C[C@@H](NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccco1 7692199 VHLAYOXBXGQGLC-CYBMUJFWSA-N 368.462 3.707 0 40 FHAB O=C(CSc1nncs1)Nc1nc(-c2ccc(F)c(F)c2)cs1 7736413 JHDCLGHCFWSKNJ-UHFFFAOYSA-N 370.431 3.671 0 40 FHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)NCc1cccc(Cl)c1 8077065 RLKUOEYTJNUUDC-UHFFFAOYSA-N 359.788 3.778 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCc1ccc(F)cc1 8077603 LFVGJYCLGNVOMQ-UHFFFAOYSA-N 351.425 3.530 0 40 FHAB COc1ccccc1N1CCN(C(=O)COc2ccccc2C(C)C)CC1 8199311 ZGXPJQLCCCPHIH-UHFFFAOYSA-N 368.477 3.546 0 40 FHAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1COc2ccccc2O1 9512169 NLTGJZPXIZBAIC-LRDDRELGSA-N 354.431 3.656 0 40 FHAB Cc1cccc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](c2ccccc2)CC3=O)c1 8608699 VXOIBHQOXVHSHL-MRXNPFEDSA-N 372.424 3.848 0 40 FHAB CCOC(=O)c1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1 20894259 IQEQJBBXMGHEOE-UHFFFAOYSA-N 371.418 3.546 0 40 FHAB COc1ccc([C@@H](CC(C)C)NC(=O)COc2ccccc2OC)cc1 20493598 KKARYLQQDOAWAU-GOSISDBHSA-N 357.450 3.986 0 40 FHAB CC(=O)NC(C)(C)c1noc(-c2cnc(-c3ccccc3Cl)s2)n1 71905150 JIBYNICZYGYAQI-UHFFFAOYSA-N 362.842 3.885 0 40 FHAB Cc1ccc([C@@H]2CCC[C@H]2OC(=O)C2CCN(c3cnccn3)CC2)cc1 95963147 KQHBLNZXJKMEJZ-VQTJNVASSA-N 365.477 3.881 0 40 FHAB COc1cccc2c1O[C@H](C)C(=O)N(c1cccc(Br)c1)C2 75165550 DRNCLWGXOLGQFW-LLVKDONJSA-N 362.223 3.772 0 40 FHAB C[C@@H]1C[C@@H]1C(=O)Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 75141179 MBUJLUHQHFNVJX-ACJLOTCBSA-N 357.837 3.874 0 40 FHAB CCCOC(=O)c1ccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1 408732086 RQVWMQQLCRZVKJ-ATVHPVEESA-N 353.349 3.737 0 40 FHAB COc1cc(C(=O)Nc2ccc3nc(C)c(C)nc3c2)cc(OC)c1OC 408977516 WDXZAZJKESJXQD-UHFFFAOYSA-N 367.405 3.525 0 40 FHAB CN(C)CC1(CNc2nc(-c3cccnc3)nc3c2CCC3)CCCC1 545344433 LRHWLWPHSPNSCR-UHFFFAOYSA-N 351.498 3.561 0 40 FHAB CN(C)[C@@H](CNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2)c1c(F)cccc1Cl 110515805 RADUOTONZMWTEX-APYUEPQZSA-N 369.937 3.735 0 40 FHAB CCc1ccc(OCC(=O)NC[C@@H](c2ccccc2)N(CC)CC)cc1 28292411 HAGHUMKULFCCMQ-NRFANRHFSA-N 354.494 3.827 0 40 FHAB CC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 408708827 UCTZYWOOBGZCLA-LMDPOFIKSA-N 356.510 3.756 0 40 FHAB O=c1cc(CSc2ncnc3ccsc23)nc2ccc(Cl)cn12 32850652 IDXSGMNPWFWAII-UHFFFAOYSA-N 360.851 3.645 0 40 FHAB CC(C)c1cc(-c2nnc3sc(-c4cc(F)ccc4F)nn23)n(C)n1 79491552 DJHZWFQIOSYYOG-UHFFFAOYSA-N 360.393 3.655 0 40 FHAB COc1cccc(Oc2nccnc2C2CCN(C3CCOCC3)CC2)c1 72362866 RZQDUVDHSYATDL-UHFFFAOYSA-N 369.465 3.636 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@@](O)(c1ccco1)C1CC1 75154936 UIJNQGQNRTZDCC-IBGZPJMESA-N 363.841 3.504 0 40 FHAB Cn1ncc2c1NC(=O)C[C@H]2c1ccc(OCc2ccccc2F)cc1 66091712 FWZINHKYYMXKID-INIZCTEOSA-N 351.381 3.612 0 40 FHAB CCOc1ccccc1NC(=O)N1CCC2(CC1)OC(=O)c1ccccc12 211109904 PUYJOEPXQVBAKH-UHFFFAOYSA-N 366.417 3.779 0 40 FHAB C[C@H](Cc1ccccc1Cl)C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 560676031 AZKBUNIHMRNNTB-BEFAXECRSA-N 372.896 3.724 0 40 FHAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1 44852985 JWBGGJFSIVSUKV-QGZVFWFLSA-N 363.461 3.746 0 40 FHAB COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1C 223264945 QWTXNLMUPPBVBH-UHFFFAOYSA-N 364.401 3.779 0 40 FHAB CN(CCCNC(=O)COc1ccc2c(c1)CCCC2)c1ccccc1 223597210 PBERHULFUCFTQI-UHFFFAOYSA-N 352.478 3.587 0 40 FHAB Cc1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(N)cc2)cc1 225311948 LPSDNLRPRXRWKQ-UHFFFAOYSA-N 352.459 3.973 0 40 FHAB CC[C@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C)c1ccc(C)cc1 222440992 LTCXBTUGOMCPKA-SFHVURJKSA-N 374.506 3.580 0 40 FHAB COc1cccc([C@H]2CN(Cc3ccc4oc(C(=O)O)cc4c3)CCO2)c1 571096371 AEWZBKHIZOIVJI-HXUWFJFHSA-N 367.401 3.713 0 40 FHAB COC(=O)c1cccc(NC(=S)NCCCSCc2ccco2)c1 225594411 MWEZPUKJZOBHNH-UHFFFAOYSA-N 364.492 3.676 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 224179584 VUOZPIABAUJWQF-FQEVSTJZSA-N 370.468 3.620 0 40 FHAB O=C(O)CCCCCNC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 40266963 YKKQCZMMIWMWAP-UHFFFAOYSA-N 366.870 3.767 0 40 FHAB COc1ccc(OCc2cc(C(=O)N3CCCCC3)ccc2OC)cc1 224268906 LHWUVXZBDVOUPH-UHFFFAOYSA-N 355.434 3.909 0 40 FHAB CCOc1ccc(C(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1C 224817563 YRVWNWINTNPNMW-UHFFFAOYSA-N 351.406 3.682 0 40 FHAB COc1cccc(OCC(=O)Nc2ccc(Br)cc2F)c1 44508913 OSUWIOKXXKRTLL-UHFFFAOYSA-N 354.175 3.614 0 40 FHAB CCOC(=O)c1cccc(NC(=S)NCCCOC2CCCC2)c1C 225620184 KGFMFAIWMXHALC-UHFFFAOYSA-N 364.511 3.807 0 40 FHAB COC[C@H]1CN(C(=O)C[C@H]2C=CCC2)Cc2cnn(CC3CCCC3)c21 96198442 OKOMYTZQZCVYIM-QFBILLFUSA-N 357.498 3.502 0 40 FHAB Cc1csc(NC2CCN(C(=O)c3cccc4c3OCC4(C)C)CC2)n1 333316978 OPNXVYAQHDCXRY-UHFFFAOYSA-N 371.506 3.838 0 40 FHAB COc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)c1 244307808 XBOLMLYFBGNUTA-UHFFFAOYSA-N 372.852 3.840 0 40 FHAB Cc1cc(-c2nc(C)c[nH]2)nc(C2CCN(C(=O)c3cccs3)CC2)n1 257288274 PTORBDYETYTSDB-UHFFFAOYSA-N 367.478 3.565 0 40 FHAB CCOCC[C@@H]1CCOC2(C1)CN(C(=O)c1ccc(F)c(Cl)c1)C2 253381422 DTOQQYSWKWQIHV-CYBMUJFWSA-N 355.837 3.527 0 40 FHAB Cc1nc(-c2c(C)noc2C)cc(C2CCN([C@@H]3CCCOCC3)CC2)n1 257329049 XIEJDKQCSUKMGB-GOSISDBHSA-N 370.497 3.805 0 40 FHAB Cc1nccc(CN2CC[C@H](Cc3cccc(-c4c(C)noc4C)n3)C2)n1 257278588 OCVPMCPJOCUNFN-QGZVFWFLSA-N 363.465 3.516 0 40 FHAB Cc1nc(-c2cccc(C(=O)O)c2)cc([C@H]2CCCN2C(=O)C(C)(C)C)n1 257231253 GFYGAIJMEKPLGS-GOSISDBHSA-N 367.449 3.860 0 40 FHAB O=C(O)Cc1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1 1608776275 AKABBSPWQZSEJO-UHFFFAOYSA-N 353.349 3.643 0 40 FHAB O=C(c1cc(F)c(Cl)c(F)c1)[C@H](Br)CBr 382674888 MEEWOXNRIUFLDG-RXMQYKEDSA-N 362.395 3.959 0 40 FHAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1(C)C 58087738 XFCDZKUKLIRXHI-ZIAGYGMSSA-N 357.422 3.860 0 40 FHAB Cc1cc(C)n2nc(C)c(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)c2n1 75118716 LVZVPEQPDIEZGI-UHFFFAOYSA-N 364.236 3.796 0 40 FHAB COc1ccccc1CN(C(=O)c1cc(Cl)c2c(c1)OCO2)C1CC1 83980106 DOSKXNFBRNDBSQ-UHFFFAOYSA-N 359.809 3.882 0 40 FHAB Cc1ccc(C2=CCN(CC(=O)Nc3nc4c(s3)CCCC4)CC2)o1 12114565 IQNWXTSFYCONER-UHFFFAOYSA-N 357.479 3.651 0 40 FHAB O=C(Cc1ccccc1F)N1CCC(c2[nH]ncc2-c2ccncc2)CC1 12221863 WBMXBPCUBXLREC-UHFFFAOYSA-N 364.424 3.560 0 40 FHAB CC1CCN(C(=O)c2cc(-c3cccnc3)c(N3CCOCC3)s2)CC1 12222025 ULCQIHPBSMZEMJ-UHFFFAOYSA-N 371.506 3.519 0 40 FHAB CCOc1ccc(-n2nnc(C(=O)OCc3ccccc3Cl)c2C)cc1 12415985 WYJFFCUWWKSNJW-UHFFFAOYSA-N 371.824 3.985 0 40 FHAB CC[C@@H](C(=O)Nc1cc(C)cc(C)c1)N(c1ccc(C)cc1)S(C)(=O)=O 13713058 MYQWKWXGTNZHHZ-IBGZPJMESA-N 374.506 3.795 0 40 FHAB Cc1ccc(SCCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 14803561 NLLFYYKQRVXZCI-CYBMUJFWSA-N 372.515 3.950 0 40 FHAB CC(=O)c1cccc(NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)c1 14898733 GDWSSGDDBPLEHC-UHFFFAOYSA-N 374.400 3.992 0 40 FHAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc(Br)o1 15860051 MONJNAHEBQBVIF-GFCCVEGCSA-N 367.243 3.592 0 40 FHAB COc1cccc([C@@H]2CN(C(=O)C3CC3)[C@H]3CCN(C4CCCC4)C[C@H]32)c1 19566138 QKSUDBTVQRQHQD-FKBYEOEOSA-N 368.521 3.664 0 40 FHAB Cc1ccc(-c2cc(C(=O)NCc3nc(Cc4ccccc4)no3)no2)cc1 19665372 LUNJPFJYWYHWPH-UHFFFAOYSA-N 374.400 3.554 0 40 FHAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1cccc(F)c1 2645693 NSJAHAJUZDBRBG-UHFFFAOYSA-N 354.337 3.585 0 40 FHAB C[C@@H](Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)NC1CCCC1 5779700 FETUXWKTQBWWLR-CQSZACIVSA-N 355.409 3.883 0 40 FHAB O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1nccs1 2468264 ZJNLGSQMOFNZLK-UHFFFAOYSA-N 350.856 3.713 0 40 FHAB CCc1ccc(S(=O)(=O)Nc2cccc(N3CCCCC3=O)c2)s1 5330051 DQZOFDAZZPEWKM-UHFFFAOYSA-N 364.492 3.628 0 40 FHAB Cc1cc(=O)oc2c(OCC(=O)O)c3c(cc12)CCC1(CCCCC1)O3 9134932 ZLMLUNYUGKTCKS-UHFFFAOYSA-N 358.390 3.593 0 40 FHAB O=C(COc1ccc(Cl)cc1)NCc1cc(-c2ccccc2F)on1 35589923 INMCQDKCPRPTHA-UHFFFAOYSA-N 360.772 3.829 0 40 FHAB Cc1nc(SCC(=O)Nc2ccc(F)c(F)c2)cc(-c2ccccn2)n1 49007121 JXGVSHRGUZDQPJ-UHFFFAOYSA-N 372.400 3.856 0 40 FHAB COc1cc(C(=O)Nc2nnc(-c3ccccc3)s2)cc2c1O[C@@H](C)C2 28282730 VVYDEILJNMPYFI-NSHDSACASA-N 367.430 3.789 0 40 FHAB O=C(Nc1ccccc1N1CCCC1)N1CCN(Cc2cccs2)CC1 40103774 JVHKWDHHIXBXPW-UHFFFAOYSA-N 370.522 3.698 0 40 FHAB CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 40104069 RMNCABHGMXQTCS-UHFFFAOYSA-N 370.472 3.632 0 40 FHAB CN(C)c1ncccc1CNC(=O)Nc1ccc(OC2CCCC2)cc1 40120631 YDDFBBCTHLJONA-UHFFFAOYSA-N 354.454 3.791 0 40 FHAB CNC(=O)c1ccc(NC(=O)c2cccc3c4c([nH]c23)CC[C@@H](C)C4)cc1 30719973 ZAPODZYRDDSSCB-CYBMUJFWSA-N 361.445 3.905 0 40 FHAB COc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@@H]3CC(C)C)cc1 101459308 JOXBMXRDAQCFLH-SFHVURJKSA-N 362.433 3.951 0 40 FHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)NCc1ccc(-n3cccn3)cc1)C2 102148779 QMAHQYVXYQGUKR-CDXJDZJCSA-N 352.482 3.886 0 40 FHAB Cc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C)s1 32739241 GCGWPPAHMGNIET-UHFFFAOYSA-N 369.412 3.741 0 40 FHAB CSc1ncc(Cl)c(C(=O)O[C@H](C)C(=O)c2ccc(Cl)cc2)n1 21582953 NLCNSPPSSCCMNE-MRVPVSSYSA-N 371.245 3.934 0 40 FHAB COc1ccccc1NC(=O)CCn1nnc(-c2ccc(C(C)C)cc2)n1 32871144 MGAJSBOERQRTNE-UHFFFAOYSA-N 365.437 3.501 0 40 FHAB Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC2)c(C)c1 665447 IBTHLXHZUVZOAN-UHFFFAOYSA-N 372.490 3.649 0 40 FHAB CCOc1ccc(NC(=O)[C@@H](C)[C@H](Cc2ccc(C)cc2)C(=O)O)cc1 864902 DIKJOESZCPAOQZ-KXBFYZLASA-N 355.434 3.912 0 40 FHAB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)cc4)cc3n2)cc1 885976 VRXCMEBFZMJEGO-UHFFFAOYSA-N 358.401 3.990 0 40 FHAB COC(=O)COc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1 950673 RLKSWDCQTLFIQT-UHFFFAOYSA-N 360.749 3.791 0 40 FHAB Cc1ccc(-c2nc(N3CCOCC3)sc2C(=O)N2CCCCC2)cc1 1020513 DOAZYKGNTCZIJF-UHFFFAOYSA-N 371.506 3.581 0 40 FHAB Cc1c(C(=O)OC[C@H]2CCCO2)[nH]c2c1C(=O)C[C@H](c1ccc(F)cc1)C2 1080576 BVSOOESBDJERGK-GDBMZVCRSA-N 371.408 3.711 0 40 FHAB CCOC(=O)c1nc2ccccc2nc1Nc1ccc(OC)c(OC)c1 1855909 NKTVONIADOPLNS-UHFFFAOYSA-N 353.378 3.567 0 40 FHAB CCOC(=O)CSc1nc(SC)nc2sc3c(c12)CCCC3 2211026 FMWQXTVYSJPQPP-UHFFFAOYSA-N 354.522 3.947 0 40 FHAB COc1ccc(Cl)cc1-c1n[nH]c(=S)n1-c1ccc(C(=O)O)cc1 2351607 AXLQRXUBVVYWEN-UHFFFAOYSA-N 361.810 3.957 0 40 FHAB O=C(C[C@@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc2ccccc12 2650482 WVBPRZGZUBBQIG-KRWDZBQOSA-N 367.474 3.652 0 40 FHAB COc1cc(S(=O)(=O)NCCC2=CCCCC2)c(OC)cc1Cl 2696984 RPYAFNACVIRCOL-UHFFFAOYSA-N 359.875 3.526 0 40 FHAB Cc1ccc(Cl)c(NC(=O)COC(=O)c2ccccc2C=O)c1Cl 3285108 SZMUFPUXHHVDPC-UHFFFAOYSA-N 366.200 3.910 0 40 FHAB NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 3298643 ZLSXMRNNIPHTLS-UHFFFAOYSA-N 365.380 3.681 0 40 FHAB O=C(COc1ncnc2c1cnn2-c1ccccc1)c1ccc(Cl)s1 3315259 OTMZFWQDXQVUAO-UHFFFAOYSA-N 370.821 3.792 0 40 FHAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(Br)cc2C)cc1 3388257 RICZNZTUTDUOCV-UHFFFAOYSA-N 362.223 3.861 0 40 FHAB C[C@H](NC(=O)COC(=O)c1cccc(O)c1)c1ccc(Cl)cc1Cl 3511721 PLMZKINJDYAGPT-JTQLQIEISA-N 368.216 3.733 0 40 FHAB CC(C)Cc1nc(S(=O)(=O)Cc2ccc(F)cc2)n(C)c1CC(C)C 4024031 DURSGPXXEGKZAR-UHFFFAOYSA-N 366.502 3.930 0 40 FHAB O=C(Nc1ncc2c(n1)C[C@H](c1ccccc1)CC2=O)c1cccc(F)c1 4777163 YJCUKYGCQDMKHW-HNNXBMFYSA-N 361.376 3.781 0 40 FHAB Cc1ccccc1NC(=O)COC(=O)c1c(C)nn(-c2ccccc2)c1C 5211130 PIEMUIZOVXWGBL-UHFFFAOYSA-N 363.417 3.593 0 40 FHAB CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@@H](c2ccc(O)cc2)NC(=O)N1 5942663 ZVSLCFVAMFFUFX-QGZVFWFLSA-N 371.824 3.621 0 40 FHAB CCOc1ccc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)cc1 6063977 MUXLAXWSHTVSAL-UHFFFAOYSA-N 357.450 3.783 0 40 FHAB Cc1c(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)cccc1C(=O)O 6571290 YICFFTFERKBOLC-JXMROGBWSA-N 374.849 3.873 0 40 FHAB CC(=O)c1ccc(NC(=S)Nc2ncn(Cc3ccc(C)cc3)n2)cc1 6966073 PJGHZDRVNRLTFU-UHFFFAOYSA-N 365.462 3.646 0 40 FHAB Cc1c(O)ccc2c(COC(=O)Cc3ccccc3Cl)cc(=O)oc12 7534032 KVQALXHROCZNLQ-UHFFFAOYSA-N 358.777 3.746 0 40 FHAB Cc1ccc(N2C(=O)C[C@@H](Nc3ccc(OC(F)(F)F)cc3)C2=O)cc1 7777707 VZDOAWYBLYKBFR-OAHLLOKOSA-N 364.323 3.638 0 40 FHAB CCOc1ccc(Cl)cc1CNn1c(-c2ccncc2)n[nH]c1=S 8324606 QAHDTZNDWZKFPR-UHFFFAOYSA-N 361.858 3.798 0 40 FHAB CCS(=O)(=O)c1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 8704676 VNPXBJVNPBYELR-UHFFFAOYSA-N 371.380 3.680 0 40 FHAB Brc1ccccc1CSc1nnnn1Cc1cccs1 9155377 PDRZFJOBGBZYLN-UHFFFAOYSA-N 367.297 3.838 0 40 FHAB O=C(CCCn1c(=O)oc2ccccc21)OCc1ccc(F)cc1Cl 9843167 WJXPCIYEEVDARZ-UHFFFAOYSA-N 363.772 3.911 0 40 FHAB CC[C@H](NC(=O)CCn1cnc2ccccc2c1=O)c1ccc(Cl)cc1 10423799 MXZLLAGJUAOPLG-KRWDZBQOSA-N 369.852 3.708 0 40 FHAB CCOc1ccc(CN2C(=O)C(=O)c3cc(Br)ccc32)cc1 11612342 OHUQTGWVDJJTPO-UHFFFAOYSA-N 360.207 3.577 0 40 FHAB COc1ccc(C(=O)Nc2ccc(Nc3cc(OC)nc(C)n3)cc2)cc1 12225207 HXQRUETWCPWQIW-UHFFFAOYSA-N 364.405 3.798 0 40 FHAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(-n2cccn2)nc1 12527985 LZBZPUJQMBPKMH-UHFFFAOYSA-N 357.417 3.614 0 40 FHAB CC(C)[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1nc2ccccc2[nH]1 12547233 MHTJSFDMISQUQQ-FQEVSTJZSA-N 365.433 3.738 0 40 FHAB COc1ccc(C(=O)NCCOc2ccc3ccccc3c2)c(OC)c1 12780601 CLQYBPHDLPMTTI-UHFFFAOYSA-N 351.402 3.666 0 40 FHAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cccc(F)c1)O[C@H](C)C2 12811882 SNINPLQKHZOLSS-CHWSQXEVSA-N 358.413 3.987 0 40 FHAB Cc1ccc(-c2csc(NC(=O)Cn3c(C)csc3=O)n2)cc1C 12893753 ASIYNCVSUIVSBT-UHFFFAOYSA-N 359.476 3.597 0 40 FHAB Cc1ccc(C(=O)CSc2ccc(C(=O)N3CCCC3)cn2)cc1C 12980449 WZGSYHXRYSTZBB-UHFFFAOYSA-N 354.475 3.909 0 40 FHAB Cc1cc(C)c(S(=O)(=O)NCCc2ccc3c(c2)CCCN3C)cc1C 13008731 UNLQMUZDZCACKH-UHFFFAOYSA-N 372.534 3.515 0 40 FHAB COc1cc2cc(C3CCN(C(=O)c4ccncc4)CC3)ncc2cc1C 13226808 RSFDVAVOVLFSQU-UHFFFAOYSA-N 361.445 3.967 0 40 FHAB C[C@@H](Oc1cccc2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 13708984 GWZFHFILRFWTCR-GOSISDBHSA-N 360.457 3.956 0 40 FHAB COc1ccc(-c2nn(CN3CCc4sccc4C3)c(=S)n2C)cc1 14137996 GJCRMPGEARVIBT-UHFFFAOYSA-N 372.519 3.704 0 40 FHAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccn(C)n2)cc1 14169311 NLLDWALKOKVWNF-UHFFFAOYSA-N 357.417 3.834 0 40 FHAB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccc(Cl)s1)CC3 14179074 OAEHUHYXRYVLFS-VQHVLOKHSA-N 358.806 3.754 0 40 FHAB CCC(CC)NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 14197809 PJVVODWJSNWCTP-UHFFFAOYSA-N 352.478 3.997 0 40 FHAB Cc1sc2nc(-c3cccnc3)nc(N3CCC[C@@H](CO)C3)c2c1C 14247168 KPVULGCHMGILJP-CQSZACIVSA-N 354.479 3.579 0 40 FHAB C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)NCc1ccc(Cl)cc1 14250047 WXWQVJVQQYHDBT-GFCCVEGCSA-N 372.881 3.922 0 40 FHAB COC(=O)c1cc(Cl)ccc1S(=O)(=O)c1c(C)cc(C)cc1C 18194561 NZLJOOYLYIMFGD-UHFFFAOYSA-N 352.839 3.885 0 40 FHAB CC(C)[C@@H](NC(=O)C[C@@H](C)n1cccn1)c1ccc2c(c1)OCCCO2 19445791 VGMOIAHCCPZIAS-FOIQADDNSA-N 357.454 3.509 0 40 FHAB C[C@@H](Sc1nnc(-c2cc3ccccc3o2)n1C)C(=O)NC1CCCC1 20169897 OYMIEGOWVOIPCM-GFCCVEGCSA-N 370.478 3.768 0 40 FHAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)cc1 21473879 BTRPLVMHCDTYCG-QGZVFWFLSA-N 351.855 3.874 0 40 FHAB Cn1nnnc1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 22112177 ZHPZIOBIOPYEPU-UHFFFAOYSA-N 364.236 3.708 0 40 FHAB COc1cccc(O[C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)c1 22528374 CSMZCGOQYJSUGJ-KRWDZBQOSA-N 353.462 3.944 0 40 FHAB COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 24257611 SJNQJVWKLFSLCV-UHFFFAOYSA-N 367.426 3.941 0 40 FHAB O=C(Nc1nc2c(ccc3ccccc32)s1)c1cccnc1-n1cncn1 24582390 MCXRPNWQRDTOFZ-UHFFFAOYSA-N 372.413 3.678 0 40 FHAB Cc1[nH]c2c(C)cc(Cl)cc2c1CCNC(=O)c1ccc(CN)cc1 27926978 CITTUADNDJQQPZ-UHFFFAOYSA-N 355.869 3.869 0 40 FHAB C[C@H]1C[C@@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(Cl)nc2)o1 30368746 LTBTVJXOGJMMAQ-NHYWBVRUSA-N 366.870 3.805 0 40 FHAB CCOc1ccc(CN(C)C(=O)c2cc(C)nc3onc(C)c23)cc1OC 31201416 FWDXYIICHKJHSK-UHFFFAOYSA-N 369.421 3.519 0 40 FHAB CC(C)(C)C[C@@H](NC(=O)CNC(=O)Cc1ccccc1)c1ccccc1 32380364 QODSWDOHCKRMLT-LJQANCHMSA-N 352.478 3.639 0 40 FHAB Cc1ccccc1CSCC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 32570995 XHUQYGKCIDZWRZ-HNNXBMFYSA-N 357.475 3.877 0 40 FHAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1cnn(C)c1 32900344 OZJJCLMSXMABJL-HNNXBMFYSA-N 362.433 3.506 0 40 FHAB CC(C)(C)OC(=O)N(CCCNc1nccc(C(F)(F)F)n1)C1CC1 32927030 UCCGSOMKKUUEAE-UHFFFAOYSA-N 360.380 3.697 0 40 FHAB C[C@H]1[C@@H](OC(=O)c2cccc(N3C(=O)CCC3=O)c2)C[C@H]2C[C@@H]1C2(C)C 34863207 IGPLREQKGCQVKF-IRWJRLHMSA-N 355.434 3.568 0 40 FHAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)Nc1ccc2c(c1)CCO2 36390983 SWLWLFCQTAGJPD-DAFODLJHSA-N 357.793 3.698 0 40 FHAB CCc1ccc(N2C(=O)C[C@@H](Nc3ccc(Br)cc3)C2=O)cc1 36635585 UFKDYMJNYCRSQR-MRXNPFEDSA-N 373.250 3.756 0 40 FHAB O=C(c1c(F)cccc1F)N1CCC(c2nnc(-c3ccco3)o2)CC1 38670467 OSOJMOHMDLYMOE-UHFFFAOYSA-N 359.332 3.628 0 40 FHAB COc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)c(OC)c1 39748276 OPVGKHGIRGBYNP-UHFFFAOYSA-N 354.450 3.555 0 40 FHAB COc1ccc(OC)c(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1 39766817 LHWATIDMBHCUPO-UHFFFAOYSA-N 368.477 3.863 0 40 FHAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cc4ccccc4o3)c2)n1 40122448 HFYKMOCBFOQUGL-UHFFFAOYSA-N 359.385 3.998 0 40 FHAB O=C(CCCOc1ccccc1Br)Nn1cnc2ccccc21 40144381 NKWTZEQMVOPCNO-UHFFFAOYSA-N 374.238 3.728 0 40 FHAB O=C(CSCc1ccc(Cl)s1)NC[C@H]1COc2ccccc2O1 44997923 OPHLMLQMPVYWCV-NSHDSACASA-N 369.895 3.591 0 40 FHAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3cnn(C)c3)cccc2c1=O 47536925 VSWATQVCXQMWRN-UHFFFAOYSA-N 359.385 3.754 0 40 FHAB biogenic O=C(CSc1nccc(N2CCCC2)n1)Nc1ccc(F)c(Cl)c1 49399618 QZONHPBVUCTVPF-UHFFFAOYSA-N 366.849 3.600 0 40 FHAB Cc1cccc(NC(=O)Cc2nc3sc4c(c3c(=O)[nH]2)CCCS4)c1 55502743 IWFSVMIJSQMNPL-UHFFFAOYSA-N 371.487 3.513 0 40 FHAB Fc1ccc(N2CCN(Cc3nc(-c4ccccc4Cl)no3)CC2)cc1 57176052 XQWJQNCAGZPWRM-UHFFFAOYSA-N 372.831 3.851 0 40 FHAB CCc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 57707663 AYZUFSLWBHFIAK-MRXNPFEDSA-N 350.462 3.862 0 40 FHAB Cc1sc2[nH]c(CCC(=O)Nc3nc(C4CC4)cs3)nc(=O)c2c1C 58165901 DGXFQHQMXANNPN-UHFFFAOYSA-N 374.491 3.507 0 40 FHAB COC(=O)C[C@@H](NC(=O)Nc1cccc2cnccc12)c1cccs1 58202714 TWXUFPBSLXJTGX-OAHLLOKOSA-N 355.419 3.722 0 40 FHAB COCc1ccccc1NC(=O)c1ccc(CSc2nccn2C)o1 58290316 YPSNBAWOGSLWRT-UHFFFAOYSA-N 357.435 3.704 0 40 FHAB COc1cc(CC(=O)O[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc(OC)c1OC 60392354 YMHLHGWVTOAYOR-UKMLZYKCSA-N 362.466 3.869 0 40 FHAB CC(=O)c1ccc(N2CCN(CC(=O)c3ccc(Cl)cc3)CC2)cc1 67206198 COZJXPQANWJAOC-UHFFFAOYSA-N 356.853 3.548 0 40 FHAB Cc1cc(SCC(=O)NCc2ccco2)nc(-c2ccc(F)cc2)n1 67257081 AJYJWYJOBQFRBL-UHFFFAOYSA-N 357.410 3.593 0 40 FHAB NC(=O)c1cccc(-c2cccc([C@@H]3CCCN(Cc4cccnc4)C3)n2)c1 72348846 LWFYWIVXDXEFHS-HXUWFJFHSA-N 372.472 3.622 0 40 FHAB CC(C)n1ncc2c(-c3ccc(O)c(Cl)c3)c3sc(=O)[nH]c3nc21 79477675 BDCRIYDEAVUTME-UHFFFAOYSA-N 360.826 3.941 0 40 FHAB O=S(=O)(CCN1CCC[C@H]1Cc1ccccc1Cl)c1ccccc1 84558654 XAGUWIXZILYAEP-KRWDZBQOSA-N 363.910 3.821 0 40 FHAB CCOc1ccc(-c2nc(COc3ccc(OC)cc3)n[nH]2)cc1OCC 85385107 XAOVXEFTFXLTHV-UHFFFAOYSA-N 369.421 3.857 0 40 FHAB COc1ccc(-c2ccnc3nc(Cc4ccc(F)cc4)nn23)c(F)c1 95473597 WOUFYORHCINVEK-UHFFFAOYSA-N 352.344 3.669 0 40 FHAB O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1CN(c2ccc(F)cc2)C1=O 96012626 WRQMNOGNCHGETQ-AWEZNQCLSA-N 368.195 3.669 0 40 FHAB O=C(NCCc1ccc(F)cc1)C1CCN(Cc2ccc(F)cc2)CC1 96625625 DMCZSBXWMPDUCP-UHFFFAOYSA-N 358.432 3.536 0 40 FHAB Cc1cc(C)nc(-n2nc(C)c(Cc3ccc(Br)cc3)c2O)n1 100129961 VQURCHKKOVPTQK-UHFFFAOYSA-N 373.254 3.646 0 40 FHAB CCCn1c(=O)c(C(=O)Nc2cc(C)cc(C)c2)c(O)c2ccccc21 100708102 OIKRJQPBWUBQNM-UHFFFAOYSA-N 350.418 3.986 0 40 FHAB OCCCc1nc2n(n1)[C@H](c1ccccc1Cl)C=C(c1ccccc1)N2 100708136 MRDRSCFVBJHJLT-SFHVURJKSA-N 366.852 3.912 0 40 FHAB COc1ccc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1N1CCCCC1=O 107332402 QETVSPSQQPBOKN-JYJNAYRXSA-N 356.466 3.977 0 40 FHAB C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 112018736 YQBUSPLEFGPSKA-QGZVFWFLSA-N 358.441 3.962 0 40 FHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCCc1ccc(OC)c(OC)c1 219594406 HYEOUGFSTXADFF-LJQANCHMSA-N 371.477 3.919 0 40 FHAB CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@H](CC)C(=O)NC)cc1 222958054 SCLNVQUWYMVBHQ-OAQYLSRUSA-N 366.505 3.735 0 40 FHAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(C)=O 223117896 ZREQMEGSPNYFCF-HXUWFJFHSA-N 372.896 3.826 0 40 FHAB COc1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c2cccnc12 223260338 LGOHUIUTDIALGP-UHFFFAOYSA-N 356.447 3.969 0 40 FHAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC1CCCC1 223864848 MSIKZNUAFFPOBT-AWEZNQCLSA-N 350.890 3.916 0 40 FHAB Cc1nc(NC(=S)NCc2ccc3c(c2)OCO3)c(Cl)cc1Cl 224043510 KUZFZVMRBPSHQH-UHFFFAOYSA-N 370.261 3.912 0 40 FHAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccco1 224553530 GUDTXKGKFKZVGH-ZWKOTPCHSA-N 351.431 3.860 0 40 FHAB CCCOCc1cc(C(=O)NCc2ccc(OC)cc2)ccc1OCC 224703405 YAJVQUXKVYYOMA-UHFFFAOYSA-N 357.450 3.951 0 40 FHAB O=C(CCc1ccc(Cl)c(Cl)c1)NC[C@@H]1COc2ccccc2O1 225283628 GKMXQWFOSRUPKZ-CYBMUJFWSA-N 366.244 3.882 0 40 FHAB O=C(c1nc2ccccc2s1)N1CC[C@H](N2CCc3ccccc3C2)C1 225684934 PPKOPBHXQWETRG-KRWDZBQOSA-N 363.486 3.569 0 40 FHAB Cc1cccc(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)c1 225727164 NFYAELFKWARGLU-UHFFFAOYSA-N 371.234 3.711 0 40 FHAB Cc1noc(C)c1-c1cc(C[C@H]2CCCN(Cc3nccs3)C2)ncn1 257200565 ADVDPKJNJOSASS-OAHLLOKOSA-N 369.494 3.660 0 40 FHAB COCCNC(=O)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 257287967 PSGACNAMSGPZTM-UHFFFAOYSA-N 371.452 3.595 0 40 FHAB Cc1cccnc1Nc1cc(C2CCN(Cc3nccn3C)CC2)ccn1 257310951 UHHXLQWJZUVINC-UHFFFAOYSA-N 362.481 3.642 0 40 FHAB c1cncc(-c2ccc3nc([C@H]4CCCN(Cc5ccncc5)C4)nn3c2)c1 306131391 KDCYUZSIJVQSIM-FQEVSTJZSA-N 370.460 3.566 0 40 FHAB Cc1nccn1C[C@H]1CCCN1C(=O)Nc1nc2c(s1)CCC2(C)C 333534112 MRWHBNKEWNSUSF-CYBMUJFWSA-N 359.499 3.568 0 40 FHAB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccccc2C=O)CC1=O 408649824 AJISESKCKVVITE-GOSISDBHSA-N 365.429 3.582 0 40 FHAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5C[C@H]3C[C@@H]54)cc2)c1 408654752 GOMGYUNAXYJRAM-KHSUIZDFSA-N 363.413 3.923 0 40 FHAB C[C@@H]1CCC[C@@H]2C1=NN(C(=O)CCc1ccccc1)[C@]2(O)C(F)(F)F 409183832 VIRFGNFKMHKNRO-SUYBPPKGSA-N 354.372 3.505 0 40 FHAB O[C@@H]1[C@@H](NCCc2ccccc2Cl)CCC[C@H]1Oc1cccc(F)c1 585290099 RWIZSKPAEAUKIA-XUVXKRRUSA-N 363.860 3.972 0 40 FHAB CC(C)c1ccc(OC2CCN(C(=O)c3ccc(C(=O)O)cn3)CC2)cc1 612575662 ONQLQLQHTXECRR-UHFFFAOYSA-N 368.433 3.587 0 40 FHAB CC(C)Cc1ccccc1CNC(=O)N[C@@H]1CCO[C@@H](c2cccnc2)C1 624163255 VYPGDGUPMKDVEN-NHCUHLMSSA-N 367.493 4.000 0 40 FHAB O=C(Nc1ccc(Oc2ccncc2)c(Cl)c1)[C@@H]1CC[C@H](C2CC2)N1 653115181 GCYQYKUFDLTRKF-SJORKVTESA-N 357.841 3.996 0 40 FHAB O=C(O)[C@@H]1CCN(C(=O)c2csc(Br)c2)[C@H]2CCCC[C@@H]21 659194343 LSUBVTRKNHQJGP-UTUOFQBUSA-N 372.284 3.616 0 40 FHAB CCCCc1ccc(C(=O)N[C@H](C[C@H]2CNc3ccccc32)C(=O)O)cc1 670417854 VKODPLHWBVQGSA-FXAWDEMLSA-N 366.461 3.812 0 40 FHAB CC1(C)CCc2nc(O)c(C(=O)NCc3ccc4c(c3)CCC4)cc2C1 1319570490 SRRBJHXPJDWQEX-UHFFFAOYSA-N 350.462 3.721 0 40 FHAB COc1ccc(C(=O)NC[C@H](O)c2ccc(-c3ccco3)cc2)cc1F 1775966755 XPBVAOIAYXBWJD-KRWDZBQOSA-N 355.365 3.558 0 40 FHAB CC(C)C[C@H](C)CC(=O)N1CCC[C@](C)(CNC(=O)C2(CF)CC2)C1 1775989234 HTLBFKUDNFNAHY-QFBILLFUSA-N 354.510 3.553 0 40 FHAB Cc1c[nH]nc1C[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 1848352362 DKFISMBJCKIYNY-INIZCTEOSA-N 350.466 3.613 0 40 FHAB CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc(F)c(F)c(F)c1C2=O 1857794789 UGWDVDFMVMFPFQ-UHFFFAOYSA-N 355.356 3.860 0 40 FHAB CC(C)COC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2C)CC1 2056225604 SYWFIOYGXFTMNZ-NJAFHUGGSA-N 350.503 3.528 0 40 FHAB O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN1C(=O)NCc1ccccc1 1379669 ZNAHZYGMPSBSAG-QGZVFWFLSA-N 357.841 3.653 0 40 FHAB C[C@H](CC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl)c1ccncc1 79092865 BVAHXFHFOWHZLR-BZNIZROVSA-N 353.249 3.732 0 40 FHAB CCCCOC(=O)c1ccc(NC(=O)COc2ccccc2OC)cc1 3611070 CDWFHVVGECEBGP-UHFFFAOYSA-N 357.406 3.670 0 40 FHAB Cc1cc(N(Cc2ccccc2F)C2CC2)n2nc(C(F)(F)F)nc2n1 23185332 VWLYJBXUHQAJMK-UHFFFAOYSA-N 365.334 3.760 0 40 FHAB CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 4194492 IPWCKTKJIKOUND-UHFFFAOYSA-N 366.398 3.994 0 40 FHAB COCCSc1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)s1 4510429 VYNWESNURIHNQL-UHFFFAOYSA-N 351.497 3.826 0 40 FHAB CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2)nnc1-c1cccnc1 917236 UOEMDBLPPNBPCG-AWEZNQCLSA-N 367.478 3.788 0 40 FHAB C[C@@H]1OC2(C[C@@H](OCc3ccccc3)[C@H]1OCc1ccccc1)OCCO2 6004881 CYNNHJZSXYWLJA-WMQCIHAUSA-N 370.445 3.667 0 40 FHAB Cc1ccccc1C(=O)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1 6422554 SLRFWTJAWJBROR-UHFFFAOYSA-N 365.477 3.552 0 40 FHAB O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 6495778 KTCXZIBTVSADLS-MHWRWJLKSA-N 368.370 3.514 0 40 FHAB Cc1cccc(C(=O)NC(=S)Nc2ccc(Br)c(C)n2)c1 6614242 OERYFECTDUKOMQ-UHFFFAOYSA-N 364.268 3.588 0 40 FHAB O=C(CCCOc1ccccc1)NCc1ccccc1CN1CCCC1 24189693 HTZNMOZDAGHDMP-UHFFFAOYSA-N 352.478 3.758 0 40 FHAB COC(=O)c1cccc(S(=O)(=O)Oc2ccccc2-c2ccccc2)c1 24257459 QBADAACMALLBFR-UHFFFAOYSA-N 368.410 3.908 0 40 FHAB Cc1n[nH]c2c1[C@H](c1ccc(C(C)C)cc1)C1=C(O)N(C)C(=O)N(C)C1=N2 105827357 ZFYFHOJXHWNHHZ-HNNXBMFYSA-N 365.437 3.784 0 40 FHAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 106138604 AUWGKOZUFQIUDX-JENIJYKNSA-N 358.526 3.742 0 40 FHAB COc1cccc(CNC(=O)CSc2ncc(-c3ccc(F)cc3)[nH]2)c1 12556561 MKJFSGNGCWYNHW-UHFFFAOYSA-N 371.437 3.633 0 40 FHAB O=C(Oc1ccccc1)c1nn(-c2ccc(F)cc2)c(=O)c2ccccc12 1399937 CSQTYEYZBQBZNX-UHFFFAOYSA-N 360.344 3.744 0 40 FHAB CC(=O)Nc1cccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 9063079 KALAJQCVQCZOBZ-UHFFFAOYSA-N 365.477 3.804 0 40 FHAB COC(=O)c1ccc(C(=O)O[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1 9480195 WBRAHAFTUUXBSP-ZHHULCEESA-N 370.445 3.804 0 40 FHAB Cc1cc(NC(=O)COc2ncnc3scc(-c4ccccc4)c23)no1 3280674 YDMTWLDGNHXNDX-UHFFFAOYSA-N 366.402 3.672 0 40 FHAB CC(=O)Nc1ccc(NC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 56568373 OIIOZNAIWNCGMS-GOSISDBHSA-N 373.840 3.904 0 40 FHAB O=C(NCCOc1ccccc1)c1ccccc1C(=O)c1cccs1 25984132 RCTRUODEOVJDOB-UHFFFAOYSA-N 351.427 3.788 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 57065032 GSIVBNXFGNFWBQ-HNNXBMFYSA-N 351.425 3.872 0 40 FHAB COc1cn(-c2ccccc2)nc1C(=O)N1CCSc2ccccc21 57739575 PUUBOGDCMSFENB-UHFFFAOYSA-N 351.431 3.633 0 40 FHAB C[C@@H](C(=O)Nc1cccc(NC(=O)c2ccc(F)cc2F)c1)n1cccn1 27126965 KAIHHKGFBMCLQN-LBPRGKRZSA-N 370.359 3.613 0 40 FHAB O=C(NCc1ccccc1OC(F)F)[C@@H]1COc2ccc(Cl)cc2C1 10114936 QXGAJJADPOVFNU-ZDUSSCGKSA-N 367.779 3.809 0 40 FHAB CCOC(=O)c1sc(NC(=O)c2ccc(F)cc2F)nc1C(C)C 95441980 KLURCRBPBFWQAY-UHFFFAOYSA-N 354.378 3.974 0 40 FHAB O=C1c2ccccc2C(=O)N1c1ccc(-n2nncc2-c2ccccc2)cc1 12810314 HRJVOPKYIZKVJC-UHFFFAOYSA-N 366.380 3.735 0 40 FHAB O=C(OC[C@@H]1CCCO1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 11593269 FGKJRHGXKPEYLY-INIZCTEOSA-N 373.474 3.588 0 40 FHAB C[C@H]1Oc2ccc(NC(=O)N3CCC[C@H]3c3ccsc3)cc2NC1=O 45985537 OGIZAEMHRPKLOP-ABAIWWIYSA-N 357.435 3.837 0 40 FHAB CSCc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1 29838435 SSPQGAOINASDOX-UHFFFAOYSA-N 354.519 3.728 0 40 FHAB O=C1COc2ccc(-c3csc(NC(=O)c4ccccc4F)n3)cc2N1 11971890 PSSLCJJXKXLAGQ-UHFFFAOYSA-N 369.377 3.532 0 40 FHAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1ccc(F)cc1 2656919 OUWKSZIHVFYQMG-UHFFFAOYSA-N 359.397 3.927 0 40 FHAB CN1CC[C@H]2[C@H](CCN2C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 95467023 FURPSVXUKJUJOT-YGRLFVJLSA-N 361.795 3.917 0 40 FHAB COC(=O)c1cccc(C(=O)Nc2cnn(CC(C)C)c2C(F)F)c1 89856656 SLNPKYYIFFFAKE-UHFFFAOYSA-N 351.353 3.516 0 40 FHAB COc1cccc(NC(=O)Cn2c(-c3ccc(C)cc3)n[nH]c2=S)c1 12997417 MNJUZXJWTHLNPU-UHFFFAOYSA-N 354.435 3.563 0 40 FHAB O=C(OC[C@H]1CO[C@H](c2ccc(Cl)cc2)O1)c1cccnc1Cl 95448041 OZKDOJINVUWBPS-LRDDRELGSA-N 354.189 3.659 0 40 FHAB CC(C)Cn1ccc2c(NC(=O)Cn3ncc4ccccc4c3=O)cccc21 71279955 JXIFESUOESNQHI-UHFFFAOYSA-N 374.444 3.646 0 40 FHAB O=C(/N=c1/[nH]c2ccccc2s1)C(O)(c1ccccc1)c1ccccc1 13551878 TXVWWECLVBLULL-UHFFFAOYSA-N 360.438 3.593 0 40 FHAB CCOc1cc2c(cc1CNC(=O)CCNc1ccccc1C)O[C@@H](C)C2 9218105 ICLOAEKSQZZLBX-INIZCTEOSA-N 368.477 3.836 0 40 FHAB CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2)nc2ccccc2c1=O 5213622 FBCIQPGROQYZQB-AWEZNQCLSA-N 367.474 3.844 0 40 FHAB O=C(Nc1cc(N2CCOC2=O)ccc1F)N[C@H]1C[C@H]1c1cccc(F)c1 65416495 AVDQSRHHNDOQKY-HOCLYGCPSA-N 373.359 3.599 0 40 FHAB COc1ccc(CC(=O)Nc2ccc(C)cc2Br)c(OC)c1 14185201 AOLMDBRYCZZPDC-UHFFFAOYSA-N 364.239 3.956 0 40 FHAB COc1ccc2nc(NC(=S)NC(=O)c3ccc(C)cc3)sc2c1 4520389 DDLVGYYNCCIJJU-UHFFFAOYSA-N 357.460 3.740 0 40 FHAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)N3CCO[C@H](C)C3)cc2)o1 14235670 ITUXGQCSMKXSBH-OAHLLOKOSA-N 363.417 3.573 0 40 FHAB Cc1ccc(N(Cc2ccco2)C(=O)Cn2cnc3ccccc3c2=O)cc1 14201861 SWFRMCSIVNXTHW-UHFFFAOYSA-N 373.412 3.531 0 40 FHAB CCn1c(SC[C@H]2COc3ccccc3O2)nnc1-c1cccs1 6541899 ZCLITZBBSUYRFZ-GFCCVEGCSA-N 359.476 3.959 0 40 FHAB Cc1cc2nc3s/c(=C\c4c(F)cccc4Cl)c(=O)n3c2cc1C 409393304 PXGUCRKOGBWKOE-PXNMLYILSA-N 358.825 3.866 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccncc2)N1Cc1ccco1 5516454 ACVBPJRXKCUJRO-GOSISDBHSA-N 358.353 3.526 0 40 FHAB COc1ccc(NC(=O)CN(C)Cc2c(F)cccc2Cl)cc1OC 6638555 WLYWLMWTLYTGDW-UHFFFAOYSA-N 366.820 3.567 0 40 FHAB CCC(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@@H]1c1ccc(OC)cc1 4815106 DFWOHHFCNGPSGZ-RTBURBONSA-N 362.433 3.764 0 40 FHAB O=C(NC[C@@H](O)c1cc2ccccc2s1)c1ccc2c(n1)CCCC2 89873100 BFVDIEBKNPZNAV-QGZVFWFLSA-N 352.459 3.639 0 40 FHAB O=S(=O)(c1ccccc1F)N1CCC[C@H]1c1nc2ccccc2s1 7217409 HLFHTDDMQBHJAP-AWEZNQCLSA-N 362.451 3.961 0 40 FHAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 8160878 IRPBJUUSZSRFHC-QFBILLFUSA-N 355.434 3.959 0 40 FHAB O=C(OCc1coc(-c2cccs2)n1)c1cc(Br)c[nH]1 8157427 LEWXXBGROOJOTR-UHFFFAOYSA-N 353.197 3.851 0 40 FHAB CCn1cnn(CN2CCC(c3nc4ccccc4s3)CC2)c1=S 8111265 NAJJJLSKFMZLPC-UHFFFAOYSA-N 359.524 3.881 0 40 FHAB CCn1c(S[C@@H](C)C(=O)NCc2ccccc2Cl)nnc1C1CC1 9501615 HFBJXYSDIVIWPQ-NSHDSACASA-N 364.902 3.626 0 40 FHAB CNC(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)cc1 8424217 ZJSCHBXJCWVGST-UHFFFAOYSA-N 360.841 3.806 0 40 FHAB CO[C@H]1CCCC[C@@H]1OC(=O)Cn1c(SC(F)F)nc2ccccc21 83897716 OFLGPERNENDQPK-KBPBESRZSA-N 370.421 3.852 0 40 FHAB C[C@@H](C(=O)Nc1ccccc1)[S@@](=O)Cc1cccc(C(F)(F)F)c1 69812380 QFOJCTQDRLIUAY-FNODVLLQSA-N 355.381 3.981 0 40 FHAB O=C(CSc1nccn1C1CC1)Nc1ccccc1Br 8707785 ZOYIISZHPVYCRL-UHFFFAOYSA-N 352.257 3.711 0 40 FHAB CC(=O)Nc1ccc(/C=C2/N=C(c3cccc(OC(F)F)c3)OC2=O)cc1 96634916 XVXZOOGNEWWQIS-CXUHLZMHSA-N 372.327 3.591 0 40 FHAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2Cl)n2nc(SC)nc2N1 8843476 WEDNGAQWNFNYNP-CYBMUJFWSA-N 364.858 3.505 0 40 FHAB CCOc1ccc(-n2c(C)nnc2SCC(=O)c2ccccc2)cc1 409108268 ZDGMQOYCFSUUSB-UHFFFAOYSA-N 353.447 3.949 0 40 FHAB CCN1C(=O)CCc2cc(NC(=O)Nc3cc(OC)cc(OC)c3)ccc21 22507321 RLGSKNKISRSBED-UHFFFAOYSA-N 369.421 3.647 0 40 FHAB CCOC(=O)N1CCC(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)CC1 9762255 FUHGIAMWESBERA-LFPRZYRFSA-N 362.514 3.576 0 40 FHAB CN1c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2C(=O)N2CCCC[C@H]21 97112296 YPTKKCRZSJLABB-SFHVURJKSA-N 369.852 3.994 0 40 FHAB CC(C)(C)OC(=O)CN(Cc1nc(-c2ccco2)no1)c1ccccc1 72308533 CJGOCCDDKHONBQ-UHFFFAOYSA-N 355.394 3.678 0 40 FHAB COc1ccc([C@H]2CC(O)=Nc3c2cnn3Cc2ccco2)cc1OC 72404221 NOPTVZKPWVTTBY-CQSZACIVSA-N 353.378 3.665 0 40 FHAB CCCCc1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)cc1 408618719 FEUUTFHWJHNZMU-UHFFFAOYSA-N 370.474 3.927 0 40 FHAB O=C1OC(c2ccccc2F)=N/C1=C\c1csc(Br)c1 26433575 YNQGVHVRAUZIDC-WZUFQYTHSA-N 352.184 3.994 0 40 FHAB COc1ccc(-c2cnc3n2C[C@@H]2CN(Cc4ccsc4)C[C@@H]2C3)cc1 306138486 RYSZQEBCAVUKDB-ROUUACIJSA-N 365.502 3.925 0 40 FHAB CCCCCOc1ccc(NC(=O)C(=O)NCc2ccc(F)cc2)cc1 409255398 KANIKSVJVQMLCO-UHFFFAOYSA-N 358.413 3.650 0 40 FHAB Cc1ccc(-c2cs/c(=N\c3ccccc3)n2N2CCOCC2)cc1 4614722 GPKAVKUVNOXNDL-MRCUWXFGSA-N 351.475 3.726 0 40 FHAB CCOc1ccc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1OCC 409077523 FDBAESADSPUZIC-VBKFSLOCSA-N 358.438 3.709 0 40 FHAB O=C(NCCCc1ccccc1)NC[C@H](O)c1ccc(C(F)(F)F)cc1 70640293 BOPPQAKTURGFFG-KRWDZBQOSA-N 366.383 3.671 0 40 FHAB CCn1cc(CN2CCC(c3cccc(Nc4cc(C)on4)n3)CC2)cn1 72376172 SFHBIKUDAXPWQD-UHFFFAOYSA-N 366.469 3.718 0 40 FHAB C[C@@H](c1cccs1)N(C)C(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 32463930 UYFFJSJVWYFUDW-QWHCGFSZSA-N 362.882 3.974 0 40 FHAB Cc1cccc(Nc2nccnc2[C@H]2CCCN(C(=O)CC(C)C)C2)n1 72361957 MPWQGQZMDKDKTD-INIZCTEOSA-N 353.470 3.676 0 40 FHAB CC(=O)Oc1cc2c(s1)CCN([C@H](C(=O)C1CC1)c1ccccc1)C2 77286566 OPKDRZXNRYIANV-IBGZPJMESA-N 355.459 3.752 0 40 FHAB in-vitro CCOC(=O)c1ccc(NC(=O)COc2cccc3c2CCCC3)cc1 223678044 NUWJZYZLBNQTCJ-UHFFFAOYSA-N 353.418 3.760 0 40 FHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)o1 224590139 MASRMBZFEKVNEB-QZTJIDSGSA-N 351.431 3.866 0 40 FHAB CCn1c(=O)sc2cc(NC(=O)CSCc3ccccc3)ccc21 225075884 SMSWHQHCAYOHJK-UHFFFAOYSA-N 358.488 3.955 0 40 FHAB CCC(C)(C)NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(C)c2)c1 224142521 OQUCCGSUFNYAKJ-UHFFFAOYSA-N 374.506 3.739 0 40 FHAB Cc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1C 225469143 UAAQCXVAXUGUSD-LJQANCHMSA-N 366.505 3.788 0 40 FHAB O=C(O)c1coc(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)n1 574092627 FEVGFZDYYFTBPT-UHFFFAOYSA-N 354.328 3.771 0 40 FHAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C)c1 225056652 FVNQKXJTSHQOQV-CYBMUJFWSA-N 356.447 3.623 0 40 FHAB CC(C)CN(C)C(=O)c1ccnn1-c1ccc2ccc(-c3ccncc3)cn12 96155263 UIAWYFOTDBGRFL-UHFFFAOYSA-N 373.460 3.915 0 40 FHAB CCN(Cc1ccc(C(=O)O)c(Cl)c1)[C@@H]1CCN(c2ccccc2)C1=O 583939913 IUIHQAVTDSNMAE-GOSISDBHSA-N 372.852 3.666 0 40 FHAB Cc1cc(C(=O)Nc2ccc(-c3nccs3)cc2)n(C2CCOCC2)n1 527746339 FRMUEUXZHHRBNU-UHFFFAOYSA-N 368.462 3.919 0 40 FHAB O=C(C[C@@H]1Oc2ccccc2NC1=O)OCc1ccc(C(F)(F)F)cc1 25798056 FMGQHHBOGWKNPN-HNNXBMFYSA-N 365.307 3.538 0 40 FHAB COc1c(O)cccc1-c1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2 1244991760 PSGGMENYIKZMKU-UHFFFAOYSA-N 358.397 3.857 0 40 FHAB O=C(O)CC1(NCc2nc(-c3ccccc3Cl)cs2)CCOCC1 662213149 UVQSTAKJEJHCFZ-UHFFFAOYSA-N 366.870 3.577 0 40 FHAB COc1ccc(-c2ccc(CNC(=O)N3CCC[C@@](C)(O)CC3)cc2)cc1 684269191 YLTQZCTZRJWJTK-JOCHJYFZSA-N 368.477 3.809 0 40 FHAB C[C@H](NC(=O)c1cccs1)c1cc2c(cc1Br)OCCO2 54594897 NHCCZVGNBSZLCV-VIFPVBQESA-N 368.252 3.773 0 40 FHAB COC(=O)Nc1cccc(NCC(=O)N2c3ccccc3CC[C@@H]2C)c1 55875599 IAHLONKDSORAHA-AWEZNQCLSA-N 353.422 3.645 0 40 FHAB Cc1ccc(CN2C(=O)[C@H](N3CCSC3=O)[C@H]2c2ccsc2)cc1 58175560 OCGSXTGHEAJJKU-HZPDHXFCSA-N 358.488 3.677 0 40 FHAB Cc1noc(C2CCN(C(=O)CSc3ccccc3Cl)CC2)n1 58174570 RELNUUCSQDCNKO-UHFFFAOYSA-N 351.859 3.530 0 40 FHAB CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@@H](OC(C)=O)[C@@]3(C)C[C@H]3O[C@]231 169796369 RTQHUAHEQACVGY-JVTHYKSUSA-N 370.445 3.520 0 40 FHAB CN(Cc1ccncc1)C(=O)Cn1c(-c2ccc(F)cc2)cc2cccnc21 12222450 YFJBOVYRFYNLFX-UHFFFAOYSA-N 374.419 3.896 0 40 FHAB COc1ccc([C@H]2C[C@@H](c3cccc(Cl)c3)n3nc(N)nc3N2)cc1 13132258 AZJUETRGZAYPMI-CVEARBPZSA-N 355.829 3.669 0 40 FHAB CCCCCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 15339489 LFNHVKFHUFEUIK-UHFFFAOYSA-N 360.479 3.716 0 40 FHAB Cn1ccnc1-c1nc(NC[C@@]2(C)CCCO2)ncc1-c1cccc(F)c1 19461264 QVUYBKJFBRMWRF-HXUWFJFHSA-N 367.428 3.664 0 40 FHAB CC[C@@H]1CCCCN1C(=O)CSc1nnc(C)n1-c1ccc(C)cc1 4835949 BEPHXGGBLPAJQB-MRXNPFEDSA-N 358.511 3.767 0 40 FHAB C[C@@H]1CCc2sc(-c3nnc(S[C@H](C)C(=O)NC4CC4)o3)cc2C1 4937683 QCMOLJDDHXOHBO-NXEZZACHSA-N 363.508 3.682 0 40 FHAB Cc1ccccc1-n1c(C)nnc1S[C@H](C)C(=O)NCc1ccccc1 5619480 FYMQLAVINPRURD-OAHLLOKOSA-N 366.490 3.681 0 40 FHAB Cc1cccc(CC(=O)N2CCC(COc3ccncc3Cl)CC2)c1 1889175175 KAFJRYRAHZZJIB-UHFFFAOYSA-N 358.869 3.904 0 40 FHAB CC(C)(C)C(=O)NC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 2086929640 ZHKYKJDOVNIXAS-UHFFFAOYSA-N 363.811 3.885 0 40 FHAB Cc1ccc(-c2nnn3c2nc(NC[C@H]2CCCO2)c2ccccc23)cc1 2694149 UWJBEYLXFITAGA-MRXNPFEDSA-N 359.433 3.844 0 40 FHAB COc1ccc(N2C[C@@](O)(c3ccc(Cl)cc3)[N+]3=C2CCCC3)cc1 2966335 KXRYQJKFKJZVPE-HXUWFJFHSA-N 357.861 3.609 0 40 FHAB CCCn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(CC)ccc21 4193388 MFGCBXYTHBDINR-UHFFFAOYSA-N 355.459 3.807 0 40 FHAB CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc(C)cc2)NC(=S)N1 4276376 FVVOTMSBCQFAFU-QGZVFWFLSA-N 355.438 3.566 0 40 FHAB Cc1ccc2nc(SCc3ccc(Cl)c(Cl)c3)nc(=O)n2c1 4503743 DBZOKVKORYWNNM-UHFFFAOYSA-N 352.246 3.997 0 40 FHAB COc1cc(NC(=O)NCCCc2ccc(N(C)C)cc2)cc(OC)c1 38489645 FPAIVEBXACEHFU-UHFFFAOYSA-N 357.454 3.524 0 40 FHAB O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc3ccccc3c2)c1 13340223 CYJZTVPZODTUMI-UHFFFAOYSA-N 361.806 3.992 0 40 FHAB Nc1cccc(S[C@H]2CC(=O)N(c3c(Cl)cccc3Cl)C2=O)c1 13576220 PAJVHAXFEAMATA-ZDUSSCGKSA-N 367.257 4.000 0 40 FHAB COc1ccc(OC)c(CNCc2cccc(OCc3ccccn3)c2)c1 30629565 IZNSVFHSPAZXJB-UHFFFAOYSA-N 364.445 3.968 0 40 FHAB COc1ccc([C@H]2SC=C3Sc4nnc(C(F)(F)F)n4N32)cc1 20723186 UDPARUGVCSVFGP-SNVBAGLBSA-N 358.370 3.594 0 40 FHAB CCCOc1ccc(S(=O)(=O)NCc2ccccc2)cc1OCCC 41096569 HODSUWDQMQPWKA-UHFFFAOYSA-N 363.479 3.743 0 40 FHAB Cc1ccc(C)c(N2C(=O)C[C@@H](Sc3nc4ccccc4o3)C2=O)c1 102223410 KEDJCVYQRKSTJR-MRXNPFEDSA-N 352.415 3.869 0 40 FHAB CN(C)C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1 32781217 LKEGZUFQWJDSKF-KRWDZBQOSA-N 350.384 3.667 0 40 FHAB O=C(O)[C@@H]1CS[C@@H](c2ccccc2Cl)N1C(=O)c1ccccc1F 974396 IHTFQSGSXXUYSH-HOCLYGCPSA-N 365.813 3.820 0 40 FHAB Cc1c(C(=O)OC[C@@H]2CCCO2)[nH]c2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 1080579 BVSOOESBDJERGK-HOCLYGCPSA-N 371.408 3.711 0 40 FHAB CCc1ccc(-n2nnnc2SCC(=O)Nc2c(C)cccc2C)cc1 1353554 WRKZZSXHMBUFOB-UHFFFAOYSA-N 367.478 3.572 0 40 FHAB CCCC(=O)Nc1nnc(SCC(=O)Nc2ccccc2Cl)s1 1381677 AFJYQVRWHUYIDQ-UHFFFAOYSA-N 370.887 3.661 0 40 FHAB CC(C)N(C(=O)C[C@H]1ON(C)C(=O)N1c1ccc(Cl)cc1)C(C)C 1394438 ZJSPJZXRWZLMGQ-MRXNPFEDSA-N 353.850 3.505 0 40 FHAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C(C)=O)cc3)sc2c1 1509368 ZFLMXVWPLCMGHX-UHFFFAOYSA-N 353.403 3.710 0 40 FHAB Cc1cc(NC(=O)COc2ccccc2)n(-c2nc3ccccc3s2)n1 3232031 NMSWPZVQUCPQCU-UHFFFAOYSA-N 364.430 3.808 0 40 FHAB CCCCCCOc1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 3423041 MAPKGWGNEBORLI-UHFFFAOYSA-N 365.437 3.874 0 40 FHAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)NCc1ccc(F)cc1 3474706 IIMFQQNAZVPPPQ-UHFFFAOYSA-N 363.388 3.752 0 40 FHAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(F)cc1 3551688 KVLAYWVBQGZBEA-KRWDZBQOSA-N 362.832 3.550 0 40 FHAB CCOc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2cccnc2)cc1 4329814 JJRANWCPTYJKNQ-HXUWFJFHSA-N 362.433 3.919 0 40 FHAB O=C1[C@@H]2[C@H]3c4ccccc4[C@H]([C@H]4C=CC=C[C@H]34)[C@H]2C(=O)N1c1nccs1 4724699 PLTCVYQUFQAGBO-QUWBCBPOSA-N 360.438 3.502 0 40 FHAB COc1cccc2sc(N(CCN(C)C)C(=O)c3ccc(C)cc3)nc12 5115504 LROXPVNZNNZAPN-UHFFFAOYSA-N 369.490 3.822 0 40 FHAB Cc1ccc(N2C[C@H](NC(=O)c3ccccc3C(F)(F)F)CC2=O)cc1 5193783 FCCUJAQUVDDGSG-CYBMUJFWSA-N 362.351 3.549 0 40 FHAB Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)F)cc3)n[nH]2)c(O)c1 5343507 KNRZCWUZPLOPRH-UHFFFAOYSA-N 359.332 3.944 0 40 FHAB CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2C)cc1 5575045 WTIKMAOYIZDSGY-KRWDZBQOSA-N 353.349 3.506 0 40 FHAB Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 5602573 GFOXIZYHSALBMS-UHFFFAOYSA-N 367.780 3.510 0 40 FHAB CCOc1ccccc1C(=O)Nc1cc(C)nn1-c1nc2ccccc2[nH]1 5695850 WKLXBOGFMAQQDA-UHFFFAOYSA-N 361.405 3.708 0 40 FHAB C[C@@H](NC(=O)c1ccccc1)c1nnc(SCc2ccc(F)cc2)n1C 6199770 DWXRVMGXKRERGV-CYBMUJFWSA-N 370.453 3.738 0 40 FHAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc(Br)o1 6905798 AVSXYNXGRNMFSF-UHFFFAOYSA-N 353.168 3.610 0 40 FHAB COc1cc(OC)cc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)c1 7184696 PYTWPWMBUCQDTM-UHFFFAOYSA-N 374.780 3.764 0 40 FHAB Cc1ccc2nc(CN(C)Cc3ccc(C(F)(F)F)cc3)cc(=O)n2c1 7266972 LNQLJHVCDMLGFK-UHFFFAOYSA-N 361.367 3.654 0 40 FHAB CCn1c(SCCO)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 7574917 ZYSJAMBTHHOSFW-UHFFFAOYSA-N 364.467 3.677 0 40 FHAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccccc2F)cc1F 8083014 CAEPINRJDAKGCT-UHFFFAOYSA-N 350.390 3.584 0 40 FHAB CCC(=O)c1ccc(OC[C@@H](O)CN[C@@H]2CCSc3ccccc32)cc1 8328164 JCBYCIOFXHPMEI-QFBILLFUSA-N 371.502 3.846 0 40 FHAB COc1ccccc1CNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 8393453 WLJYEEIXBTUIEV-UHFFFAOYSA-N 364.449 3.828 0 40 FHAB O=C(OCc1ccc(-c2ccccc2)cc1)c1cccc(-n2cnnn2)c1 8429745 ZXCBQCAKQFMSLK-UHFFFAOYSA-N 356.385 3.686 0 40 FHAB CCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccccc1OC 8577819 XRQRGWWLBGSRCA-UHFFFAOYSA-N 350.418 3.788 0 40 FHAB CCCC(=O)Nc1nnc(SCc2cc(=O)c3cc(C)ccc3[nH]2)s1 8598036 ZRQAZRQZTPJOJQ-UHFFFAOYSA-N 374.491 3.719 0 40 FHAB CC(=O)N1CCC(C(=O)Nc2nc(-c3ccc(C)cc3C)cs2)CC1 8708323 QZOUWYZJOSOYKF-UHFFFAOYSA-N 357.479 3.624 0 40 FHAB CC(C)CCC[C@H](C)NC(=O)CCCNc1nc(Cl)nc2[nH]cnc12 8992585 QRFQVOZSQGXTIV-LBPRGKRZSA-N 366.897 3.529 0 40 FHAB O=C(Cc1ccc(F)cc1)Nc1ccccc1C(=O)NCc1ccccc1 9227149 XRXLVYQWWZTNMN-UHFFFAOYSA-N 362.404 3.937 0 40 FHAB CCn1nc(NS(=O)(=O)c2ccc(C)cc2)c2cc3ccccc3nc21 9358398 LIBIOUFRJOEOOM-UHFFFAOYSA-N 366.446 3.714 0 40 FHAB COc1ccc(CC(=O)Nc2ccc(Br)cc2F)cc1F 9364406 HCBNBSXSQJWOPF-UHFFFAOYSA-N 356.166 3.917 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 9535472 CJJISHLNOCAVGJ-OAHLLOKOSA-N 374.396 3.560 0 40 FHAB COc1ccc(O)c(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c1 9550052 ZXTCZUNHDBFUGK-UHFFFAOYSA-N 370.188 3.503 0 40 FHAB COc1ccc2nc(Nc3nc(-c4ccccc4C)cc(=O)[nH]3)nc(C)c2c1 10157412 AHUZYZOZGICJNU-UHFFFAOYSA-N 373.416 3.749 0 40 FHAB Cc1nc(Nc2nc3ccccc3o2)ncc1C(=O)N1CCC[C@@H](C)C1 10157594 LTMNYCJTPIZRKY-GFCCVEGCSA-N 351.410 3.542 0 40 FHAB CS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(Cl)c2Cl)c1 10336668 OKIMFLRRMGNIAD-UHFFFAOYSA-N 359.234 3.617 0 40 FHAB Cc1cccn2cc(COc3ccc(C(=O)NCc4ccco4)cc3)nc12 10356044 KAIXSLQQCZLZPH-UHFFFAOYSA-N 361.401 3.745 0 40 FHAB CC[C@@H](C(=O)Nc1c(C)nc2sc(C)c(C)n2c1=O)c1ccccc1 11768714 MAMCUGCEWXSWOK-OAHLLOKOSA-N 355.463 3.814 0 40 FHAB Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1 12293456 GHBIVWOYBSZXEM-WOJBJXKFSA-N 371.452 3.518 0 40 FHAB CCOc1cc(C=O)ccc1Oc1cnn(-c2ccccc2)c(=O)c1Cl 12394223 QBUSAFCDRNQJQB-UHFFFAOYSA-N 370.792 3.889 0 40 FHAB CCC[C@@H](C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)c1ccccc1 12786363 YCAQGFKMPKBOIB-GOSISDBHSA-N 369.417 3.782 0 40 FHAB c1cc(-c2noc(CCCSc3nnc(C4CC4)n3C3CC3)n2)ccn1 12847252 JGADDCYYRQXEIG-UHFFFAOYSA-N 368.466 3.660 0 40 FHAB O=C(CCCNC(=O)c1cccs1)Nc1cccc(C(F)(F)F)c1 12888456 FEADNVHWAVHAGA-UHFFFAOYSA-N 356.369 3.916 0 40 FHAB CC(C)(C)c1ccccc1OCC(=O)Nc1cccc(C(=O)NC2CC2)c1 12906134 AECRAFAWSYQOCP-UHFFFAOYSA-N 366.461 3.894 0 40 FHAB O=C(/C=C/c1cccc(F)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12997356 YWRANHAZUSINKI-AHKGRUIUSA-N 353.393 3.974 0 40 FHAB CCCc1nn2c(=O)cc(COc3ccc(C(C)(C)C)cc3)nc2s1 13367699 RYIKWQMSLPALRF-UHFFFAOYSA-N 357.479 3.980 0 40 FHAB c1cc(-c2nnc(Sc3ncnc4sccc34)n2C2CC2)ccn1 14166352 XLDVHEBQBHEEAY-UHFFFAOYSA-N 352.448 3.831 0 40 FHAB CCc1c(C)nn(-c2nc(C)cc(C)n2)c1OC(=O)Nc1ccccc1 14608436 XJFQTNWBAFOACH-UHFFFAOYSA-N 351.410 3.761 0 40 FHAB Cc1cccc(OCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 15544130 CLALGIHRUYRHJB-GOSISDBHSA-N 353.418 3.509 0 40 FHAB COc1ccccc1CCNC(=O)Cc1scnc1-c1cccs1 15840266 LYEKDIVANJPVTE-UHFFFAOYSA-N 358.488 3.782 0 40 FHAB CCOc1ccccc1OS(=O)(=O)c1ccc(OC(F)(F)F)cc1 16094078 ALGKPQQOUCWVAS-UHFFFAOYSA-N 362.325 3.752 0 40 FHAB NC(=O)c1cc(Cl)ccc1OCc1nc(-c2cccc(Cl)c2)no1 16662327 ITOMANNCWSYWRR-UHFFFAOYSA-N 364.188 3.721 0 40 FHAB COC(=O)c1sccc1NC(=O)/C=C/c1ccc(OC(F)F)cc1 18030220 HXLRRBYPQUWUIX-QPJJXVBHSA-N 353.346 3.788 0 40 FHAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(F)c1F 20029970 DGEABLWBMMMCDS-UHFFFAOYSA-N 365.760 3.957 0 40 FHAB CCc1ccc(NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 22383459 VUSCYOSINGZHNR-UHFFFAOYSA-N 374.506 3.579 0 40 FHAB Cc1ccc(-c2nnc([C@H](C)N3CCN(Cc4ccccc4)CC3)o2)cc1 22776727 ALAORAPDULYZEP-SFHVURJKSA-N 362.477 3.924 0 40 FHAB Cn1cc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(F)(F)F)cn1 25309159 BEYRFDVQCYEYIW-UHFFFAOYSA-N 369.734 3.530 0 40 FHAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(c1ncnc2sccc12)CC3 26725266 WHAZFXSWXHANIP-UHFFFAOYSA-N 364.430 3.522 0 40 FHAB O=C(CSc1ccc(Cl)cc1)Nc1nnc([C@H]2CCCO2)s1 28232549 WDXDPVAYCVZHMT-LLVKDONJSA-N 355.872 3.774 0 40 FHAB COc1ccc(OC)c(NC(=O)Nc2ccc(-n3ccnc3C)cc2)c1 28305304 YNNOMHPZVJSFQP-UHFFFAOYSA-N 352.394 3.842 0 40 FHAB CNC(=O)c1ccc(NC(=O)CCc2cccc(Cl)c2Cl)cc1 31694900 NFZVCOOAGSTJQK-UHFFFAOYSA-N 351.233 3.924 0 40 FHAB Cc1ccc(S[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1 31851983 FMUBAYYWDNQNSM-SFHVURJKSA-N 354.519 3.820 0 40 FHAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(NC(N)=O)cc1 32899203 CWCXATNYELPYLL-NSHDSACASA-N 363.870 3.628 0 40 FHAB CCc1nc(OCC(=O)NCc2ccc(SC)cc2)c2ccccc2n1 33287320 KVIMQMPTEIFAMT-UHFFFAOYSA-N 367.474 3.609 0 40 FHAB O=C(Cc1csc(COc2ccccc2)n1)N1CCc2ccccc2C1 33326164 BOPUADFYHGIDJI-UHFFFAOYSA-N 364.470 3.850 0 40 FHAB COCCn1c(-c2nc(C(=O)N3CCCC3)cs2)cc2ccccc21 38911200 HZEKUPTVILIEII-UHFFFAOYSA-N 355.463 3.647 0 40 FHAB COc1ccc(C(=O)CCC(=O)N2CCCc3cc(C)ccc32)cc1OC 40043220 IOVAULSNUFUHRF-UHFFFAOYSA-N 367.445 3.955 0 40 FHAB CCN(CC)C[C@H](NC(=O)NCCc1ccc(F)cc1)c1ccccc1 40058077 XKWZECGHPCXHRU-FQEVSTJZSA-N 357.473 3.751 0 40 FHAB CCOc1ccc(-c2noc(CNc3cccc(NC(C)=O)c3)n2)cc1 40071586 NUFJBDGRLRSYGW-UHFFFAOYSA-N 352.394 3.706 0 40 FHAB CSc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1 44904761 LDSIEKSBXDXJRU-UHFFFAOYSA-N 370.883 3.686 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 46017569 RRFUEHLKHHDCRY-UHFFFAOYSA-N 362.476 3.753 0 40 FHAB Cn1ncc2c1N=C(O)CS[C@@H]2c1c[nH]nc1-c1ccc(Cl)cc1 49547439 JMAQLIOWSXIFHX-OAHLLOKOSA-N 359.842 3.888 0 40 FHAB O=C(Nc1cccc(CN2CCCCC2=O)c1)Nc1cccnc1Cl 51235827 VCGADSTZTPBDSC-UHFFFAOYSA-N 358.829 3.892 0 40 FHAB Cc1c(C(=O)N[C@H](C)c2nnc3ccccn23)oc2ccc(Cl)cc12 52769800 MYVLRJQQTCYHGG-LLVKDONJSA-N 354.797 3.928 0 40 FHAB O=C(NCc1cnn(Cc2ccccc2)c1)[C@H]1CCC[C@H](C(F)(F)F)C1 53339391 UZQAZEZUSFCKJY-IRXDYDNUSA-N 365.399 3.916 0 40 FHAB FC(F)(F)c1cnc(NCCNc2cncc(Cl)n2)c(Cl)c1 53552490 DCRYAZUGRBSNBW-UHFFFAOYSA-N 352.147 3.721 0 40 FHAB Cc1cc2ncn(CN3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)c2cc1C 54471560 WRWOXGPJBPLPRS-MRXNPFEDSA-N 368.525 3.581 0 40 FHAB O=C(NCCCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C1CC1 57304921 CCJLDMNHHBUECS-INIZCTEOSA-N 369.292 3.963 0 40 FHAB COc1ccc(CNC2CCN(Cc3ccc(Cl)cc3)CC2)cc1O 57991201 SMMAKSWHTFKMEU-UHFFFAOYSA-N 360.885 3.808 0 40 FHAB C[C@@H]1CCCN(Cc2csc(NC(=O)[C@@H]3C[C@@H]3c3cccnc3)n2)C1 57994828 DJJYDELBEUZBPN-KBRIMQKVSA-N 356.495 3.512 0 40 FHAB CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc2nc(C)c(C)nc2c1 58185979 OVSKPEYSBMENFY-UHFFFAOYSA-N 370.359 3.736 0 40 FHAB Cc1cccc(-n2c(=O)c3sccc3n(Cc3ccc(F)cc3)c2=O)c1 67258142 JNYQPIBDCCEHAS-UHFFFAOYSA-N 366.417 3.710 0 40 FHAB Cc1cn2cc(NC(=O)c3cc(C)n(CC(F)(F)F)c3C)ccc2n1 69493859 HASPKXADWHZAQY-UHFFFAOYSA-N 350.344 3.876 0 40 FHAB CN1CCN(c2ncccc2[C@H]2CCCCN2Cc2ccccc2)CC1 72216609 LNVBLEIGBNMYPA-OAQYLSRUSA-N 350.510 3.561 0 40 FHAB C[C@@H]1C[C@H]1C(=O)Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 75141197 MBUJLUHQHFNVJX-FZKQIMNGSA-N 357.837 3.874 0 40 FHAB C[C@](O)(CNC(=O)Cc1cccs1)c1ccc(-c2ccccc2)cc1 75155379 FBSPEIQQMCZYDQ-NRFANRHFSA-N 351.471 3.982 0 40 FHAB O=C(CC1CCN(C(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)CC1)N1CCCC1 78939246 PSHJNECZDILLFF-HOTGVXAUSA-N 374.447 3.606 0 40 FHAB CC(=O)NC1CCN(C(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)CC1 79832992 GYIUAZWZNNCRDF-UHFFFAOYSA-N 368.477 3.985 0 40 FHAB O=C(CNc1ncc(C(F)(F)F)cc1Cl)N1CCc2ccccc2C1 84581997 SHBCYYMFNVOVGM-UHFFFAOYSA-N 369.774 3.751 0 40 FHAB COC(=O)c1c(C)[nH]c(-c2ccccc2)c1[C@@H]1C(=O)Nc2ccc(F)cc21 94992910 BTMCYUGFUBXFCW-QGZVFWFLSA-N 364.376 4.000 0 40 FHAB CC(C)C(=O)N1CCC2(CC1)C[C@H](CC(=O)NCC1CC1)c1ccccc12 96079457 KKLZGYOEEQDYKB-SFHVURJKSA-N 368.521 3.606 0 40 FHAB O=C(NCCn1nc(-c2ccncc2)cc1C1CC1)Nc1cccs1 96121686 AAWFEOPIPRPACX-UHFFFAOYSA-N 353.451 3.706 0 40 FHAB COc1ccc(OC)c(CC(=O)Nc2ccc(N3CCCCC3)cc2)c1 98079560 QZNZYAMZUVUQQW-UHFFFAOYSA-N 354.450 3.875 0 40 FHAB Cc1cccc(CN2CC3(CCN(C[C@@H]4CC=CCC4)CC3)CC2=O)n1 108527749 JCROWQNVLMUBSC-LJQANCHMSA-N 353.510 3.561 0 40 FHAB CCc1cc(S(=O)(=O)NCc2ccc(OC(C)C)cc2)ccc1OC 113971000 NLNWFKGBKJGJPC-UHFFFAOYSA-N 363.479 3.523 0 40 FHAB O=C(NCc1ccccc1-n1ccnc1)c1ccccc1Br 115743749 KDXOLZQCLHYJHX-UHFFFAOYSA-N 356.223 3.565 0 40 FHAB CCc1nccn1[C@H]1CCCN(C(=O)NCCc2c(C)cccc2C)C1 125428517 KSUPBSMMHOGVOT-SFHVURJKSA-N 354.498 3.652 0 40 FHAB OCC1(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CCNCC1 143328093 JOEMUYYSDFIBLO-UHFFFAOYSA-N 366.490 3.562 0 40 FHAB O=C(NCC[C@@H](CCO)c1ccccc1)c1ccccc1Br 206626185 JKHSLCREJAUPMU-HNNXBMFYSA-N 362.267 3.735 0 40 FHAB COc1cc(CNC(=O)COc2cc(C)ccc2C)ccc1OC(C)C 218949701 RXIGCWRDVAFMBY-UHFFFAOYSA-N 357.450 3.794 0 40 FHAB COc1cc2c(cc1S(=O)(=O)N[C@H]1CCCc3ccccc31)CCCC2 222593378 WTITWFIGWJIXMK-IBGZPJMESA-N 371.502 3.930 0 40 FHAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 223486613 IBBZAUGJNWXBRK-NRFANRHFSA-N 366.505 3.524 0 40 FHAB CN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccccc1 224673828 CCIHVQZDLKJWFA-UHFFFAOYSA-N 360.660 3.928 0 40 FHAB Cc1cccc(OCC(=O)Nc2cc(N)ccc2N2CCCC[C@@H]2C)c1 226253351 GMXGFOGELMRJAM-INIZCTEOSA-N 353.466 3.974 0 40 FHAB Cc1ccc(O[C@@H]2CCN(C(=O)c3ccccc3SC(F)F)C2)nc1 238915523 SMOWGPHTLGKXBK-CYBMUJFWSA-N 364.417 3.998 0 40 FHAB Clc1ccccc1CN1CC2(C1)OCC[C@H]2COCc1ccncc1 253493120 SGYXBAMGCONIKM-SFHVURJKSA-N 358.869 3.543 0 40 FHAB Cc1ccc2c(c1)OC1(CCN(Cc3cn(C)cn3)CC1)[C@H]1CCCO[C@H]21 257328283 XEZVADRSGPTFHW-PZJWPPBQSA-N 367.493 3.623 0 40 FHAB CC[C@H](C(=O)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1)c1ccccc1 390830454 LFWKHOSQDWTHMD-PMACEKPBSA-N 371.502 3.569 0 40 FHAB Cc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)Nc1ccccc1 408545802 OLIFZQFHPPWSNQ-UHFFFAOYSA-N 360.479 3.572 0 40 FHAB COc1ccc(C(=O)NC(=S)Nc2ccccc2C(C)C)cc1OC 408595299 MAQQEJZGFLFEAU-UHFFFAOYSA-N 358.463 3.954 0 40 FHAB O=C1N/C(=C/c2ccccc2Br)C(=O)N1Cc1ccccc1 409249356 UCTHSVZJLMYIBI-XNTDXEJSSA-N 357.207 3.542 0 40 FHAB Cc1ccc(CN2CCC3(CC2)OCC[C@@H]3CCOc2cccnc2)o1 585103403 AWVNBXTUUBEBEK-SFHVURJKSA-N 356.466 3.823 0 40 FHAB C[C@@H]1C[C@H](NC[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)c2nccn21 624107690 UDECOGLRKSGOMJ-CZAAIQMYSA-N 372.472 3.876 0 40 FHAB O=C(N[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1)[C@H]1CCCc2n[nH]cc21 648969259 SPEDJHOZNUDPPL-STQMWFEESA-N 368.868 3.638 0 40 FHAB C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CC[C@H]2CC[C@H]1OC2 1134796390 GCSLRLMRSDDUEU-GUDXXQAFSA-N 355.400 3.958 0 40 FHAB O=C(Cc1ccc(C(F)(F)F)cc1)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1565520798 QXAACCPMICSJAK-HOTGVXAUSA-N 363.383 3.839 0 40 FHAB CC1CC(C(=O)N2CCC3(CC[C@@H]3NC(=O)CCc3ccccc3)CC2)C1 1565544947 VIZSCEOUFQDTKU-UUKMXZOPSA-N 368.521 3.553 0 40 FHAB Cc1ccc(CN2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)cc1 1615123780 VHSZTFUPICKVKO-JOCHJYFZSA-N 368.452 3.532 0 40 FHAB CCn1cc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)cn1 1615156761 KXCHXIWMWFYGPZ-BEFAXECRSA-N 370.472 3.562 0 40 FHAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1nnc2cc(C)ccc21 1776004399 RGFRHUVOQAFLTB-UHFFFAOYSA-N 373.478 3.807 0 40 FHAB Cc1cccc2sc(N3CC[C@H](COc4ccc5nccn5n4)C3)nc12 2087066784 CLRBZMVNZFPLQR-AWEZNQCLSA-N 365.462 3.553 0 40 FHAB Clc1ccc2nc(N3C[C@H]4CN(c5ccccn5)C[C@@H]4C3)sc2c1 2298100659 RPRHOMPZQAUBKN-CHWSQXEVSA-N 356.882 3.917 0 40 FHAB CC[n+]1c(C)n(C[C@H](O)COc2ccc(C(C)C)cc2)c2ccccc21 781048 JUNMZRQPVHCEQK-IBGZPJMESA-N 353.486 3.820 0 40 FHAB CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(OC)cc1 873185 XSFAQMIOQJKVII-UHFFFAOYSA-N 368.462 3.704 0 40 FHAB CCOC(=O)c1[nH]c(C)c(CN(C(C)=O)c2ccc(OCC)cc2)c1C 890983 CNMNBFKBSFWVKL-UHFFFAOYSA-N 358.438 3.760 0 40 FHAB CCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCO3)cc1OCC 936342 PEQGUPZEJPYSGG-UXBLZVDNSA-N 355.390 3.865 0 40 FHAB Cc1ccc(C(=O)N[C@@H](NC(=O)Nc2ccccc2F)C(F)(F)F)cc1 1440448 YIEONCNDGXOEMM-HNNXBMFYSA-N 369.318 3.574 0 40 FHAB COc1cc(OC)c(OC)cc1/C=C1/N=C(c2ccccc2Cl)OC1=O 1511333 JZHBLTOUCSRRHQ-RIYZIHGNSA-N 373.792 3.710 0 40 FHAB COc1cc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc(OC)c1OC 3200485 JCARNGGLDOVSDY-JTQLQIEISA-N 362.451 3.546 0 40 FHAB CCOc1ccc(OCCC(=O)OCc2cc(C(C)=O)ccc2OC)cc1 3291530 WBUJRFOAJQXOTQ-UHFFFAOYSA-N 372.417 3.809 0 40 FHAB CCCN(CC1CC1)C(=O)CSc1nnc2cc(C)c3ccccc3n12 3313748 LVOAYQQIZYUBLQ-UHFFFAOYSA-N 368.506 3.932 0 40 FHAB O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(C(F)(F)F)cc1 3415220 KRQHJWVRODWWNS-UHFFFAOYSA-N 357.353 3.508 0 40 FHAB O=C(COc1ccccc1C(=O)Nc1ccccc1)NC1CCCCC1 3606504 LOEQIMIFXITILD-UHFFFAOYSA-N 352.434 3.767 0 40 FHAB COc1ccccc1NC(=O)CN1C(=O)C[C@H](C)Sc2ccccc21 5052364 JVAIDBXRLKXSBK-ZDUSSCGKSA-N 356.447 3.551 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)Cn1cnc2ccc(Cl)cc2c1=O 5253588 WFFVNNYVIHMZMC-UHFFFAOYSA-N 351.793 3.723 0 40 FHAB CCCC(=O)Nc1sc(C(=O)OC(C)C)c(C)c1C(=O)OC(C)C 5711337 PTLPDYWQEVAIGG-UHFFFAOYSA-N 355.456 3.926 0 40 FHAB O=C(CSc1nnc2n1CCCCC2)Nc1ccc(C(F)(F)F)cc1 6098282 KAWUVBFYMOODAF-UHFFFAOYSA-N 370.400 3.754 0 40 FHAB COc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)[nH]1 6453439 POZXMZWCNILDDX-UHFFFAOYSA-N 374.853 3.865 0 40 FHAB COc1cccc(-c2noc(-c3cc4ccccc4oc3=O)n2)c1OC 6868043 DHQIMCDUZZHFPU-UHFFFAOYSA-N 350.330 3.527 0 40 FHAB CCN(Cc1ccccc1)C(=O)[C@@H](C)Nc1cc(NC(C)=O)ccc1OC 7057968 VWDHQKMWYKMNKU-OAHLLOKOSA-N 369.465 3.503 0 40 FHAB O=C(CNc1ccc(Br)cc1)Nc1ccnn1C1CCCC1 7115634 SWHDWXHTORELKD-UHFFFAOYSA-N 363.259 3.811 0 40 FHAB O=C(COC(=O)c1cccc(-n2cccc2)c1)Nc1ccc(F)cc1F 7358302 HVOHVEIAQPOYPN-UHFFFAOYSA-N 356.328 3.551 0 40 FHAB COc1ccc(CCN(C)C(=O)Cn2c(C)cc3ccccc32)cc1OC 7850080 BNWLNDRCUVOSTC-UHFFFAOYSA-N 366.461 3.668 0 40 FHAB CCOc1ccc(C2=N/C(=C\c3ccc(OCC)c(OC)c3)C(=O)O2)cc1 8180015 FDDQNPVHTVCHGQ-ATVHPVEESA-N 367.401 3.837 0 40 FHAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(Oc2ccccc2)c1 8231774 PCLZNYOYGPVJNM-NRFANRHFSA-N 372.424 3.531 0 40 FHAB CC(C)n1ncc2c(C(=O)Nc3ccc4c(c3)OCO4)cc(C3CC3)nc21 8314605 ODMQWQTZNFAXHL-UHFFFAOYSA-N 364.405 3.871 0 40 FHAB Oc1ccc(-n2nnnc2SCc2cccc(C(F)(F)F)c2)cc1 8513035 LDXKRJRFRLDMPZ-UHFFFAOYSA-N 352.341 3.679 0 40 FHAB COC(=O)c1cnn(-c2cc(Nc3c(F)cccc3F)ncn2)c1C(C)C 8715308 JWUCBTJRQQIARD-UHFFFAOYSA-N 373.363 3.594 0 40 FHAB COc1ccccc1[C@@H](CNc1cc(=O)oc2ccc(C)cc12)N(C)C 8915950 YGIYVPWMNNNWHI-GOSISDBHSA-N 352.434 3.825 0 40 FHAB CCOc1ccc(CC(=O)OCC(=O)Nc2ccc(C)cc2Cl)cc1 9033439 LMRGPPLNQOMVRA-UHFFFAOYSA-N 361.825 3.772 0 40 FHAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1ccc2[nH]nnc2c1 9319003 XWXYHLLPGQVIQP-QGZVFWFLSA-N 352.394 3.678 0 40 FHAB CC(=O)Nc1ccc(C(=O)COC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 9551895 NGZOTXNBEAXCJM-UHFFFAOYSA-N 364.401 3.783 0 40 FHAB CCCC(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)c(C)c1 9569335 HHAHPWHHJBPTFA-INIZCTEOSA-N 369.483 3.627 0 40 FHAB CCC(=O)Nc1ccc2oc(-c3cc(OC)c(OC)c(OC)c3)nc2c1 10120203 GSBLZTBGBZMZCG-UHFFFAOYSA-N 356.378 3.869 0 40 FHAB COc1ccc2cc(CNC(=O)NCc3ccccc3OC)ccc2c1 10495587 INWJQNJFLUOOQK-UHFFFAOYSA-N 350.418 3.856 0 40 FHAB Cc1noc(C)c1C(=O)OCc1nc(N)c2c3c(sc2n1)CCCCC3 10532681 XEGUZZOKVYDEPD-UHFFFAOYSA-N 372.450 3.504 0 40 FHAB O=C1c2ccccc2N[C@H](c2c[nH]nc2-c2cccnc2)N1Cc1ccco1 11036124 PLFUOQBXZJIULN-FQEVSTJZSA-N 371.400 3.831 0 40 FHAB O=C(CCOc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1 11204439 BQKJEJMFCBLYAE-UHFFFAOYSA-N 350.374 3.940 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cc2ccccc2[nH]1 11228033 BQBOXGHKMJCDBK-UHFFFAOYSA-N 372.808 3.934 0 40 FHAB CCCN1CCCc2cc(CCNC(=O)COc3ccc(C)cc3)ccc21 11612975 MINCKNYOXMLSPD-UHFFFAOYSA-N 366.505 3.895 0 40 FHAB Cc1csc2nc(CNc3ccc(Br)cc3F)cc(=O)n12 11724991 SCSXMNDTUHJJDV-UHFFFAOYSA-N 368.231 3.578 0 40 FHAB CCN1CCN(c2ccc(NC(=O)c3cc(C)nc4ccccc34)cc2)CC1 11947929 WPTSXYOYRZYMDB-UHFFFAOYSA-N 374.488 3.937 0 40 FHAB O=C(NCc1ccc(Cl)cc1)c1nc(-c2ccc3[nH]ccc3c2)no1 12409748 JNGFZEGRDILEBQ-UHFFFAOYSA-N 352.781 3.801 0 40 FHAB CS(=O)(=O)Nc1ccccc1NC(=O)c1ccccc1-c1ccccc1 12535948 YTLPYKJJIIFWCR-UHFFFAOYSA-N 366.442 3.977 0 40 FHAB CC(C)(C)OC(=O)NCc1ccc(NC(=O)Cc2ccc(O)cc2)cc1 12649014 PLGSYNPHTMWCJC-UHFFFAOYSA-N 356.422 3.598 0 40 FHAB CC(C)c1ccc(C(=O)N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 12823316 IIPXBVCXDVACMG-MDWZMJQESA-N 362.473 3.808 0 40 FHAB c1coc(-c2nnc(CN3CCC[C@H]3c3ccc4c(c3)OCCCO4)o2)c1 12868058 FCLISXPUUQZHOL-HNNXBMFYSA-N 367.405 3.828 0 40 FHAB O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1cc(F)cc(F)c1 12869435 PUTSMWZRIBEUOL-INIZCTEOSA-N 366.433 3.646 0 40 FHAB Cc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1O 12888431 WYWLODPQEYKFBI-HNNXBMFYSA-N 367.445 3.614 0 40 FHAB O=C(COc1ccccc1O)N1CCC(c2nc3ccccc3s2)CC1 12976602 FNCDNIDPJGFCGD-UHFFFAOYSA-N 368.458 3.787 0 40 FHAB CN(Cc1ccc(F)cc1)Cc1cc2c(cc1Br)OCCO2 15298604 GADJEISIRFHVGX-UHFFFAOYSA-N 366.230 3.991 0 40 FHAB CN(Cc1ccc(Br)s1)C(=O)c1ccc2[nH]cnc2c1 18107805 ZCOGDACTUJHZII-UHFFFAOYSA-N 350.241 3.659 0 40 FHAB COc1cccc(C(=O)N2CCc3onc(Nc4cccc(F)c4)c3C2)c1 19564710 CPZKEFQKDRNAIX-UHFFFAOYSA-N 367.380 3.764 0 40 FHAB CC(=O)Nc1c(C(=O)NCC(C)(C)c2cccc(F)c2)[nH]c2ccccc12 19717779 PISQINCYRLTYTE-UHFFFAOYSA-N 367.424 3.973 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(F)c1F 20029995 QLLZPESWVOXMQN-UHFFFAOYSA-N 351.733 3.567 0 40 FHAB CC1CCN(CCCNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)CC1 20453115 NLXBETFWECSZLA-FQEVSTJZSA-N 371.569 3.770 0 40 FHAB COc1ccccc1CN(C)C(=O)c1ccc(CN2CCCCC2)cc1 20487201 YMXBGPQESZHBSW-UHFFFAOYSA-N 352.478 3.953 0 40 FHAB COc1ccc(-c2cc3n(n2)[C@@H](C(=O)Nc2ccccc2)CC(O)=N3)cc1 20737010 KFVOPRSVQXWGRM-QGZVFWFLSA-N 362.389 3.730 0 40 FHAB COc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc(OC)c1Br 21895743 NXIFGOWLFGWLHR-QWRGUYRKSA-N 356.260 3.584 0 40 FHAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CCCn1c(=O)oc2ccccc21 23503933 ZXVLSSCBKYFGSB-ZDUSSCGKSA-N 374.387 3.873 0 40 FHAB CN(C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)[C@H]1CCc2ccccc21 26199344 DJZURTCQBYZROC-PMACEKPBSA-N 364.445 3.564 0 40 FHAB CCN(CC)[C@@H](CNC(=O)c1cc(=O)c2ccccc2o1)c1ccccc1 28402755 JFYMEUOTHQFLOG-SFHVURJKSA-N 364.445 3.606 0 40 FHAB Cc1nn2c(N)c(-c3nc4ccccc4[nH]3)cnc2c1-c1ccc(F)cc1 30874187 DSVOYKHPXOUEQS-UHFFFAOYSA-N 358.380 3.969 0 40 FHAB CCN(CC)Cc1cccc(NC(=O)CNC(=O)c2cc(C)cc(C)c2)c1 31589136 JMQGDAFXSUZGJB-UHFFFAOYSA-N 367.493 3.514 0 40 FHAB COc1ccc(-c2csc(CCNC(=O)c3cccc(OC)c3)n2)cc1 31848796 YLQFMXVQUXQSKH-UHFFFAOYSA-N 368.458 3.800 0 40 FHAB CC[C@H](CO)Nc1nc2sc(C)c(C)c2c2nc(-c3ccccc3)nn12 32100647 REUOCLISAYQMJU-CQSZACIVSA-N 367.478 3.806 0 40 FHAB Cc1ccc(S(=O)(=O)c2ccc(CSc3cccc[n+]3[O-])cc2)cc1 32328434 NUJYZJOKYIUAIY-UHFFFAOYSA-N 371.483 3.754 0 40 FHAB O=C(COc1cccc2c1CCC[C@H]2O)Nc1ccc(OC(F)F)cc1 32691360 WRLBJQBUIWDAOV-MRXNPFEDSA-N 363.360 3.675 0 40 FHAB Cc1ccc(N2C(=O)C[C@H](Nc3ccc(Br)cc3)C2=O)cc1 36635351 CBSLTJPMADDWOO-HNNXBMFYSA-N 359.223 3.502 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)c1ccc2c(c1)NC(=O)CS2 36735944 LOBFRYPYRRVIQE-UHFFFAOYSA-N 362.838 3.954 0 40 FHAB Cc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)Nc2ccccc21 39538423 QTCXDRGOLWMLEU-CYBMUJFWSA-N 359.223 3.822 0 40 FHAB CCOC(=O)c1cc(NS(=O)(=O)Cc2ccccc2C)ccc1Cl 44885070 ZENAGUNMHJTMDW-UHFFFAOYSA-N 367.854 3.767 0 40 FHAB Cc1cc(C)c2oc(=O)cc(CN3CCN(c4ccccc4F)CC3)c2c1 54105970 VTOGFPKJFQZXNA-UHFFFAOYSA-N 366.436 3.871 0 40 FHAB biogenic CC(C)(C)NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 55632440 UCQUOXDPRRRRQK-UHFFFAOYSA-N 366.870 3.669 0 40 FHAB CCC(=O)N[C@H](CCSC)C(=O)N[C@@H](C)c1oc2ccccc2c1C 57036480 WBUYZKKQLMIFAC-DZGCQCFKSA-N 362.495 3.566 0 40 FHAB O=C(N[C@H]1CCCOc2ccc(F)cc21)N1CCC(n2cccc2)CC1 57618212 JFEPNDVTKCYUPN-SFHVURJKSA-N 357.429 3.888 0 40 FHAB CC(C)COc1cccc(C(=O)NC(=S)Nc2cccnc2Cl)c1 59294268 YQDWRONTTFURAV-UHFFFAOYSA-N 363.870 3.897 0 40 FHAB O=C(/C=C/c1ccc(Cl)cc1Cl)N[C@@H](Cc1ccccc1)C(=O)O 62715117 HOYQXJSNGRQLPQ-DYLHUKMJSA-N 364.228 3.819 0 40 FHAB O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc2c(O)[nH]c(=S)nc2c1 63809494 PJEXVBNBLNDAJT-INIZCTEOSA-N 351.431 3.879 0 40 FHAB CCC[C@@](C)(CCCNC(=O)Nc1cccnc1Cl)C1OCCO1 72306244 BNEXBYYZMTUNEM-KRWDZBQOSA-N 355.866 3.816 0 40 FHAB Cc1cccc(NS(=O)(=O)c2ccc(C(=O)O)c(Cl)c2)c1Cl 75082009 VXXFWQUYPNTOQA-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@@H](C)c1nnc(-c2cccs2)o1 89941678 MBGFXOQJLABIOG-SOUVJXGZSA-N 374.510 3.725 0 40 FHAB O=S(=O)(O)c1cccc2cc(Br)cc(Br)c12 98175561 AQVHJMNHFQKNIE-UHFFFAOYSA-N 366.030 3.612 0 40 FHAB O=C(O)CC12CC3C[C@](Br)(C1)C[C@](Br)(C3)C2 100243515 XXNSAMQEVRDCDN-XLSSUDTFSA-N 352.066 3.713 0 40 FHAB CCn1c(S)nc2cc(C(=O)Nc3ccc(C)cc3C)ccc2c1=O 102333664 VAOOIFBWBKDSTK-UHFFFAOYSA-N 353.447 3.574 0 40 FHAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1 222950605 VCQFLHLLBSYVGU-IBGZPJMESA-N 366.505 3.953 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 223088668 PBPFUZBKEPLXJU-LJQANCHMSA-N 372.896 3.744 0 40 FHAB CCc1ccc(OCCNS(=O)(=O)c2ccc3ccccc3c2)cc1 223986224 FKQZIAFIKOHLEN-UHFFFAOYSA-N 355.459 3.760 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F 224267896 WNUPVLZRSHUSRO-FQEVSTJZSA-N 370.468 3.620 0 40 FHAB CCn1c(=O)sc2cc(NC(=O)COc3cc(C)cc(C)c3)ccc21 225097870 IMWDRYOTVWEJKO-UHFFFAOYSA-N 356.447 3.717 0 40 FHAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)N[C@@H](C)c2ccccc2)CC1=O 240803882 BBGFGXOVDFIQMB-HOCLYGCPSA-N 356.853 3.879 0 40 FHAB COc1ccc(CN2CCCC[C@H]2c2nnc(-c3cnc(C)cn3)o2)cc1 257203562 AQQYRRJELFQWRW-SFHVURJKSA-N 365.437 3.571 0 40 FHAB CO[C@@](C)(C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1)C1CC1 260812326 AMILESRALIBYPF-HRAATJIYSA-N 360.498 3.551 0 40 FHAB Fc1cccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccsc4)C2)OC3)c1 306131707 KNKQQKWESRIDRI-FQEVSTJZSA-N 369.465 3.926 0 40 FHAB COCCn1c(Cc2ccccc2)nnc1SCc1ccccc1F 409101439 UAANYNXCNZUFMM-UHFFFAOYSA-N 357.454 3.947 0 40 FHAB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)ccc1OC(C)C 409210113 IGZJRZJDPPVLOK-LFIBNONCSA-N 365.451 3.555 0 40 FHAB CC[C@H](C)n1ncc(NC(=O)NCc2ccc(C(=O)OC)cc2)c1C1CC1 534252724 YGYFNBSYISEJBN-ZDUSSCGKSA-N 370.453 3.840 0 40 FHAB Cn1nccc1[C@@H]1C[C@H](NCc2ccc(Cl)c3cccnc23)CCO1 556173624 KXQBJSUEVCKALU-KDOFPFPSSA-N 356.857 3.632 0 40 FHAB Cc1ccccc1OCC(=O)NCCn1nc(C)c(-c2ccsc2)c1C 575612702 LDDWFGMXQMPTGX-UHFFFAOYSA-N 369.490 3.732 0 40 FHAB Cn1cc([C@@H]2CN(C(=O)c3ccc(Cl)s3)Cc3ccccc32)cn1 575618016 DBVADEJLCRMUJD-HNNXBMFYSA-N 357.866 3.923 0 40 FHAB Cc1ccc2cc(CNC(=O)c3c(C)n(C)c4ccccc34)c(O)nc2c1 585294850 KVJMZQRXFQIMLX-UHFFFAOYSA-N 359.429 3.979 0 40 FHAB CSC1CCN(c2nnc([C@H]3Cc4ccccc4O3)n2CC2CC2)CC1 601905952 XCDROSBLZAQXBG-GOSISDBHSA-N 370.522 3.696 0 40 FHAB O=C(NC[C@@]1(O)C=CCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 618257319 VJQKVJNOCRMYLN-CQSZACIVSA-N 367.289 3.925 0 40 FHAB Cc1ccc(N2CCCC2)c(C(=O)NCCc2c(F)cc(O)cc2F)c1 1652546145 XQTKJYYUVMPZQG-UHFFFAOYSA-N 360.404 3.552 0 40 FHAB C[C@H](NCc1cn(C)nc1-c1cccnc1)c1cc(F)ccc1N(C)C 1663500534 QMCPRHGCGQELOB-AWEZNQCLSA-N 353.445 3.538 0 40 FHAB COc1ccc(CN2CC[C@H](Oc3ccncc3Br)C2)cc1 1849457981 FPLPDSTWWZIISM-HNNXBMFYSA-N 363.255 3.506 0 40 FHAB Cc1ccc(C)c(CN2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)c1 2298212769 ISEDLQIVCAXDDK-KRWDZBQOSA-N 350.453 3.773 0 40 FHAB CC(C)OC(=O)CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1 886674 MOSWJWNOKHTTCK-UHFFFAOYSA-N 369.446 3.684 0 40 FHAB COc1nc(C(=O)NC[C@H](O)c2ccc3ccccc3c2)cc2ccccc12 78775573 QDAGUTMCQGQONZ-NRFANRHFSA-N 372.424 3.860 0 40 FHAB O=C(O)[C@H]1c2ccc(Br)cc2CCN1c1ccc(F)cc1 2527037 PDTBJKDQODBMDJ-OAHLLOKOSA-N 350.187 3.777 0 40 FHAB COc1ccc(-c2noc(-c3cc(-c4cccs4)[nH]n3)n2)cc1OC 9002128 JOGWFPXWGDXFLL-UHFFFAOYSA-N 354.391 3.872 0 40 FHAB COc1ccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)no2)cc1OC 4101726 HURAQPXBWDGVCU-UHFFFAOYSA-N 372.808 3.942 0 40 FHAB CCOc1ccc2nc(NC(=O)c3c(OC)cccc3OC)sc2c1 6048411 BWXHHTAAOQDNGD-UHFFFAOYSA-N 358.419 3.965 0 40 FHAB CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCc1ccco1)c1nc3ccccc3nc12 6727235 JNUSQEQONVHUBX-FCHUYYIVSA-N 361.445 3.868 0 40 FHAB Nc1ccccc1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 6756765 DWWMRODPBWNHCK-UHFFFAOYSA-N 372.730 3.737 0 40 FHAB O=C(COc1ccc2ccccc2c1)Nc1nnc(-c2cccnc2)s1 3183084 AGWWXIANBVAWJU-UHFFFAOYSA-N 362.414 3.771 0 40 FHAB Cc1nc(N(C)[C@H](CN2CCCC2)c2ccccc2)c2nc(C)oc2n1 55152776 AAENOLMXBXAIDC-QGZVFWFLSA-N 351.454 3.508 0 40 FHAB C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccccc1Cl 12589399 PZFWDJHHWTYGTP-ZDUSSCGKSA-N 357.841 3.906 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1ccc(C)cc1C 10684129 YJHCHPVWTRLOIL-INIZCTEOSA-N 354.450 3.849 0 40 FHAB O=C(Cn1ccnc1)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 12535541 CHCAKICCSSBHOC-MRXNPFEDSA-N 360.373 3.600 0 40 FHAB Cc1cccc(NCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1C 12596691 GODKLXGYPHPSQB-UHFFFAOYSA-N 355.829 3.588 0 40 FHAB COc1ccccc1CNC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 12553934 LOURLAHZOMEORD-UHFFFAOYSA-N 357.410 3.613 0 40 FHAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1 8041199 SRPWEAATOWOZAG-MRXNPFEDSA-N 354.450 3.883 0 40 FHAB O=C(Nc1ccc2c(c1)CCC2)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 8264210 NECNXPKFXUPUBK-HNNXBMFYSA-N 354.837 3.820 0 40 FHAB CN(CC(=O)NC(C)(C)C)C(=O)c1sc2cc(F)ccc2c1Cl 8944292 VJGAKCNXSGYKQY-UHFFFAOYSA-N 356.850 3.681 0 40 FHAB C[C@H]1CN(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)CCO1 25059053 FAIJJQXELNBPPC-HNNXBMFYSA-N 355.869 3.959 0 40 FHAB CCN(CC)CCn1c(NC(=O)/C=C/c2ccc(C)o2)nc2ccccc21 12549665 UKQVOVCYBCTDES-OUKQBFOZSA-N 366.465 3.931 0 40 FHAB O=C(COC(=O)/C=C/c1ccc(F)cc1)Nc1ncc(Cl)cc1Cl 3293598 GPXDJFGZIIOKPU-ZZXKWVIFSA-N 369.179 3.723 0 40 FHAB Cc1cccnc1NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 9609096 PNTYENDSSYHSAP-UHFFFAOYSA-N 351.406 3.755 0 40 FHAB Cc1cc(Cl)ccc1Oc1ccc(S(=O)(=O)N2CCCC2)cn1 12606258 BQWCSVBJUHRCPG-UHFFFAOYSA-N 352.843 3.620 0 40 FHAB Cc1cc(C)n(C[C@H](C)CNC(=O)CCC(=O)c2ccc(Cl)cc2)n1 48299645 JPCCPZBTYLCRBN-CYBMUJFWSA-N 361.873 3.569 0 40 FHAB CC(C)(C)[C@H](NC(=O)Nc1ccc(-n2cnnn2)cc1)c1cccs1 48290514 JKFTUPIKLWJLOO-OAHLLOKOSA-N 356.455 3.633 0 40 FHAB CC1CCN([C@@H](CNC(=O)c2csc(-c3ccccn3)n2)C(C)C)CC1 58004657 YGKAHBGVLUKYCP-SFHVURJKSA-N 372.538 3.691 0 40 FHAB Cc1ccc([C@@]2(C)NC(=O)N([C@H](C)C(=O)c3cccc(Cl)c3)C2=O)cc1 3363449 FYEYOOFUSRPJTI-ZUOKHONESA-N 370.836 3.687 0 40 FHAB Cc1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c1C 113948067 XHOGAYLCYWGQEC-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 10322488 HOVUHLFYYSRXQD-UHFFFAOYSA-N 373.460 3.923 0 40 FHAB CN(C)Cc1cc([C@H]2CC[C@H](CN(C)C(=O)[C@@H]3CC=CCC3)CC2)nn1C 100687661 RFNKGEGOGLAGJD-CEXWTWQISA-N 372.557 3.570 0 40 FHAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2nncn2C)c2ccccc2)c1 3395166 VTVPUEQVZODDJW-KRWDZBQOSA-N 352.463 3.904 0 40 FHAB O=C(O)c1ccccc1[C@H]1c2sc(=O)[nH]c2S[C@@H]2[C@@H]3CC[C@H](C3)[C@H]12 100972059 CVZSTKXZJGBVGW-KVTHKLIGSA-N 359.472 3.787 0 40 FHAB c1csc(-c2nnc(CSc3nnc(N4CCCC4)n3C3CC3)o2)c1 48325113 NJXKTGANWQCRCP-UHFFFAOYSA-N 374.495 3.617 0 40 FHAB Cc1ccc(Nc2nnc(SCCN3CCOC3=O)s2)cc1Cl 28190012 CERYDIRKHCDYJU-UHFFFAOYSA-N 370.887 3.788 0 40 FHAB NC(=O)Nc1cccc(CNC(=O)/C=C/c2ccc(C(F)(F)F)cc2)c1 48343468 UBVWCVLHFUBZEV-RMKNXTFCSA-N 363.339 3.526 0 40 FHAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1OCC 45383224 ZQNISIOVYCPGAJ-AWEZNQCLSA-N 373.449 3.992 0 40 FHAB CC[C@H](C)NC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc12 2367088 GBXPCIKAWPZVFH-AWEZNQCLSA-N 373.460 3.993 0 40 FHAB CCN(C(=O)Cn1ccc(C(F)(F)F)n1)[C@@H](C)c1cccc(OC)c1 45507456 FJZYCVZVDOSRKG-LBPRGKRZSA-N 355.360 3.520 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)cc1 28188989 KJCYABKIWSMCOE-ZDUSSCGKSA-N 357.435 3.532 0 40 FHAB CCc1c(C)sc(NC(=O)COc2ccc3ccccc3c2)c1C(N)=O 2739749 RPBWKOFOZLGILR-UHFFFAOYSA-N 368.458 3.889 0 40 FHAB O=C(c1csc2c1CCCC2)N1CCC[C@H]1c1nnc2n1CCCCC2 29249944 NMNMWQFLOWXOIK-INIZCTEOSA-N 370.522 3.922 0 40 FHAB CCOC(=O)C1=C(C)N=C(SC)N[C@@H]1c1cccc(Br)c1 408989429 KSOBTRRDFNWWHU-CYBMUJFWSA-N 369.284 3.650 0 40 FHAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cn2ccccc2n1 9115664 NQAKMPGCINSSJU-UHFFFAOYSA-N 372.432 3.572 0 40 FHAB O=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N(C1CCCC1)C1CC1 64906981 ITJUXGOPXBRVKA-UHFFFAOYSA-N 361.507 3.950 0 40 FHAB CCCCCn1nc(C(=O)Nc2ccccc2O)c2ccccc2c1=O 39975546 MFVIXAXEBFSCRS-UHFFFAOYSA-N 351.406 3.545 0 40 FHAB COc1cc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)ccc1Cl 4667210 MTNKUWOYQAGIEI-UHFFFAOYSA-N 355.887 3.596 0 40 FHAB CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3ccc(OC)cc3)oc2c1 5585477 UBUJYTBUNRQJFE-LNVKXUELSA-N 365.433 3.619 0 40 FHAB COC(=O)c1ccc(NC(=O)CNc2ccc(OCCC(C)C)cc2)cc1 66226953 IOHPPDIFIHYSJX-UHFFFAOYSA-N 370.449 3.949 0 40 FHAB Cc1c(C(=O)N(C)CC(=O)Nc2cc(F)cc(F)c2)oc2ccccc12 66417954 VBMHANYYURNTHN-UHFFFAOYSA-N 358.344 3.730 0 40 FHAB CCC[C@H](Cc1ccccc1)N(CCC)C(=O)c1ccc2nncn2c1 66546030 AVXHMZXIIQVCPX-LJQANCHMSA-N 350.466 3.993 0 40 FHAB Cc1cc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)on1 6851888 ZWDPXYVNGIVHAA-UHFFFAOYSA-N 366.398 3.969 0 40 FHAB COc1ccc2c(CN(C)CCOc3cccc(C)c3)cc(=O)oc2c1 15100378 COWRFIWJOHMBFW-UHFFFAOYSA-N 353.418 3.621 0 40 FHAB COc1cc(CNc2ncn[nH]2)cc(Cl)c1OCc1ccccc1F 4999808 FMYHPIHTWKYAAQ-UHFFFAOYSA-N 362.792 3.797 0 40 FHAB CC[C@@H](C)NC(=O)COC(=O)c1ccccc1C(=O)c1cc(C)ccc1C 4987824 IJVRQCUXOWEEEC-MRXNPFEDSA-N 367.445 3.606 0 40 FHAB COc1cc(OC)cc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)c1 7113521 ZZEYTWUAIFYPJO-MRXNPFEDSA-N 366.339 3.833 0 40 FHAB C[C@@H]1Cc2cc(-c3csc(-c4ccccn4)n3)ccc2N1S(C)(=O)=O 7274334 KNHYHMNKCVXJDT-GFCCVEGCSA-N 371.487 3.583 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cnc(C(C)(C)C)nc1 84718291 DCEOSUINLNKMED-GOSISDBHSA-N 364.449 3.677 0 40 FHAB CCn1cnn(CN2CCC[C@@H](c3nc4ccccc4s3)C2)c1=S 8147130 KPOLKJJPSFLVJX-CYBMUJFWSA-N 359.524 3.881 0 40 FHAB COc1ccc(/C=C/C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 8349280 DFVCESOGRNASLV-XNWJVHIKSA-N 362.433 3.509 0 40 FHAB CC(C)(C)OC(=O)NCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 72043299 DGZPCPJFIWWLBQ-UHFFFAOYSA-N 352.740 3.822 0 40 FHAB CC(C)CNC(=O)CSc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 8692758 VXFQOMGSWQOCTL-UHFFFAOYSA-N 373.503 3.516 0 40 FHAB Fc1ccc(CN2CCCN(c3ccc(Br)cn3)CC2)cc1 95960772 HSCKMBKKQKLIAD-UHFFFAOYSA-N 364.262 3.696 0 40 FHAB Cc1ccc(C)c(C(=O)COC(=O)C2(CC(=O)NC(C)(C)C)CCCC2)c1 22747154 VKCVHVGBQPZMEZ-UHFFFAOYSA-N 373.493 3.895 0 40 FHAB CCOC(=O)N[C@H](CC(=O)Nc1cc(C)ccc1OC)c1ccccc1 409004624 XTYHPVXKIIVGAK-MRXNPFEDSA-N 356.422 3.820 0 40 FHAB C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(NC(=O)c4ccccc4)cc3)C(=O)[C@@H]12 408672950 POWDSLVDQRZCGP-ZMYBRWDISA-N 360.413 3.641 0 40 FHAB COc1cccc(CCCNC(=O)c2n[nH]c3c2C[C@H](C(C)(C)C)CC3)c1 35316693 MATAJAOYUJTIGY-MRXNPFEDSA-N 369.509 3.932 0 40 FHAB CCN(CC)C(=O)CN1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 72348749 RXHBNKHXQKAGEX-SFHVURJKSA-N 369.484 3.936 0 40 FHAB CCC(CC)C(=O)Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1 33268507 SUAFSUZTTOPJQC-UHFFFAOYSA-N 365.433 3.648 0 40 FHAB Clc1cc(I)ccc1I 75629372 NBHBJKWMZWADHL-UHFFFAOYSA-N 364.351 3.549 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)c1C 216267162 INCKOEMBLZRBSE-INIZCTEOSA-N 354.450 3.848 0 40 FHAB CCCCN1C(=O)COc2ccc(NC(=O)c3ccccc3OCC)cc21 32593501 OXDXAKABDJTTBY-UHFFFAOYSA-N 368.433 3.863 0 40 FHAB CCCn1ncc(CN2C[C@@H]3[C@@H](CCC[C@]3(O)c3ccc(F)cc3)C2)c1C 72340443 WQBSKAJHYXKTIA-WTOYTKOKSA-N 371.500 3.860 0 40 FHAB Cc1n[nH]cc1C(=O)N1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 72349747 FSDQISRXANVMAR-OAHLLOKOSA-N 364.424 3.939 0 40 FHAB CN(CCOc1cccc(Cl)c1)C(=O)c1ccc2c(c1)OCCCO2 40001013 VJWVQFICSMYCQM-UHFFFAOYSA-N 361.825 3.652 0 40 FHAB CCc1ccc([C@@H]2CCCCN2C(=O)Cc2c(CC)nn(C)c2CC)o1 188053137 GBZPWDHGLMVRFN-IBGZPJMESA-N 357.498 3.997 0 40 FHAB S=C(NCCCn1ccnc1)Nc1ccc(Br)c(Cl)c1 225521035 OHMYVJBFELTDQW-UHFFFAOYSA-N 373.707 3.676 0 40 FHAB COc1ccc(CCNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 225578234 HPAOYTNFRLOORY-INIZCTEOSA-N 353.462 3.700 0 40 FHAB CCc1ccc(O[C@@H](CC)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 222878290 UONUDDIQBKEAKJ-NRFANRHFSA-N 370.468 3.894 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1 40478344 KETSMYJHLAKYKK-UHFFFAOYSA-N 353.353 3.645 0 40 FHAB CCCOc1ccc(NC(=O)[C@@](C)(OCC)C2CC2)cc1C(=O)OCC 225835907 GJHNHSGMLWUADM-FQEVSTJZSA-N 363.454 3.796 0 40 FHAB O=C(NC1CCC(O)CC1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 49909043 BUQCEBGNXICDNH-UHFFFAOYSA-N 353.340 3.999 0 40 FHAB CCCSc1nnc(NC(=O)CCc2ccc(OC)c(OC)c2)s1 41018791 GZDOEYXPRXNMNH-UHFFFAOYSA-N 367.496 3.629 0 40 FHAB COc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(N)c2)cc1OC 226268416 GHBZVBXHHVUQKO-UHFFFAOYSA-N 355.438 3.529 0 40 FHAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 225015120 IPKPBAFXHUSHCL-OAQYLSRUSA-N 368.477 3.882 0 40 FHAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 225176046 YJESYJGKRCRPOT-UHFFFAOYSA-N 356.447 3.970 0 40 FHAB C[C@H]1CC[C@](NC(=O)c2cccc3c2ccn3C)(C(=O)O)c2ccccc21 1594324148 YGJFBFFGXCFCOF-RCDICMHDSA-N 362.429 3.786 0 40 FHAB O=C(c1cnnn1Cc1ccccc1)N1CCCC[C@H]1Cc1ccccc1 581273292 ZUGSBWYFJMXWCR-FQEVSTJZSA-N 360.461 3.564 0 40 FHAB Cc1cccc2nc(CNC(=O)N3[C@H]4CC[C@H]3CC3(C4)CC3(F)F)[nH]c12 527832736 BKDGJDDSSAVKHX-STQMWFEESA-N 360.408 3.733 0 40 FHAB O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)Nc1ccc(F)cc1 96583557 ZMNOVXOYVQZPSK-XNTDXEJSSA-N 356.378 3.501 0 40 FHAB C[C@H](NC(=O)[C@@H]1[C@@H]2CC[C@]3(CC(=O)c4ccccc4O3)[C@H]21)c1ccccc1 248252352 MTUYDFNNRNSSRA-ZLFUWHIPSA-N 361.441 3.924 0 40 FHAB Cc1nc(NC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)sc1C 245170769 XFKXGYHLHVYEIG-UHFFFAOYSA-N 367.858 3.618 0 40 FHAB COc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)cc1 244337239 XRKFZNQGBIXUIU-UHFFFAOYSA-N 372.852 3.840 0 40 FHAB Cc1nn(C)cc1CN1CCO[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 257321878 WDQOYKFWURLTRB-OAQYLSRUSA-N 366.440 3.503 0 40 FHAB Cc1cc([C@H]2CCCCN2Cc2ncc[nH]2)nc(-c2c(C)noc2C)n1 257217145 CXRUSYSLEFLTRC-MRXNPFEDSA-N 352.442 3.507 0 40 FHAB C[C@@]12C[C@H]3CN(C(=O)c4cc(-c5ccc(F)cc5)no4)[C@@H]1CCCC[C@@H]2N3 257207528 BIEPFQUWYDVOAX-RMYQPGKMSA-N 369.440 3.616 0 40 FHAB COc1cc(OC)cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)c1 257203312 APMBGKYOBXEFDD-IOEFZWJXSA-N 373.493 3.722 0 40 FHAB COc1cccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)c1F 257244676 IMIQUSMFEBMOEC-HSZHVBGHSA-N 361.457 3.853 0 40 FHAB CC(C)C[C@@H](NC(=O)c1nccc2ccsc12)C(=O)Nc1nccs1 626337945 LBXKJWNBCDEYMK-GFCCVEGCSA-N 374.491 3.536 0 40 FHAB O=C(c1ccccc1)N1CC[C@H](c2nc(-c3ccc(C(F)F)nc3)no2)C1 624654014 YYHGESDEPNQMGF-AWEZNQCLSA-N 370.359 3.699 0 40 FHAB c1ccc(C[C@@H](N=c2ccc3nnc(-c4ccccc4)n3[nH]2)C2CC2)cc1 605697753 XWWDRUUQLQBXLN-LJQANCHMSA-N 355.445 3.646 0 40 FHAB COc1cccc2cc(C(=O)NC[C@@H](O)c3ccc(-c4ccco4)o3)oc12 1775966279 WGZBYZZSAZSQFA-CYBMUJFWSA-N 367.357 3.758 0 40 FHAB COc1ccccc1NC(=O)[C@@H](Sc1nnc2n1CCCCC2)C(C)C 73814509 FEBRAQXXDSJTBX-KRWDZBQOSA-N 374.510 3.769 0 40 FHAB COc1cc(C)c(C(=O)c2c(OC)ncc(Cl)c2C)c(OC)c1OC 77312729 NMVCBWZLCXANER-UHFFFAOYSA-N 365.813 3.617 0 40 FHAB in-vitro CC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(NC(=O)C3CC3)c2)c1 55901988 WBOWRTFESVTAIL-UHFFFAOYSA-N 371.824 3.899 0 40 FHAB CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 39501927 YGWXZHAHVFOMKW-INIZCTEOSA-N 353.418 3.817 0 40 FHAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4CCCC4=C4CCC[C@@H]4[C@H]3C2=O)cc1 5291982 DZPGNKNDQDGSDR-LWYYNNOASA-N 365.429 3.628 0 40 FHAB Cc1ccc2nc(SCc3ccc(C(=O)N4CCOCC4)cc3)[nH]c2c1 5490812 XEQTYGMFYUEAGY-UHFFFAOYSA-N 367.474 3.636 0 40 FHAB Cc1ccc(OC[C@@H](O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 5588837 XBWMPTQDKCKYFQ-ZDUSSCGKSA-N 350.340 3.803 0 40 FHAB Cc1ccc(NCc2cc(=O)n3cc(C)ccc3n2)c(Br)c1 11623154 ZFRIBANXWWVFTF-UHFFFAOYSA-N 358.239 3.686 0 40 FHAB COC(=O)COc1cc2oc(=O)c(Cc3ccccc3)c(C)c2cc1Cl 11766102 RKOCGCYTBJBZSE-UHFFFAOYSA-N 372.804 3.897 0 40 FHAB CCOc1ccc(CN(Cc2ccccn2)C[C@H]2CCCO2)cc1OC 12144483 RLEGUJGHIOCHFL-LJQANCHMSA-N 356.466 3.670 0 40 FHAB CCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NC)c2ccccc12 13550025 ONYYCKWDNKUDBE-HKWRFOASSA-N 374.440 3.755 0 40 FHAB O=c1cc([C@@H]2CCCCN2Cc2ccccc2F)nc(-c2ccccn2)[nH]1 19349088 MVVQWKSLIORSQV-IBGZPJMESA-N 364.424 3.698 0 40 FHAB O=C(c1ccnc(N2CCCC2)c1)N1CCC(Oc2ccccc2F)CC1 19350142 WKPRKAATGVJWPJ-UHFFFAOYSA-N 369.440 3.505 0 40 FHAB CCCC(=O)N1CCC[C@](Cc2cccc(-c3cccs3)c2)(C(N)=O)C1 19501217 ZFMSIQJSTLQILT-OAQYLSRUSA-N 370.518 3.852 0 40 FHAB COc1ccc(N(Cc2cccnc2)C(=O)c2ccn(C(F)F)n2)cc1 19556238 VRMQSBXRVXSWFR-UHFFFAOYSA-N 358.348 3.529 0 40 FHAB O=C(CN1CCC(COc2ccc(Cl)cc2)CC1)Nc1nccs1 19657781 ZAMBWXZCORDNAK-UHFFFAOYSA-N 365.886 3.526 0 40 FHAB CCCc1ccc2[nH]c(=O)c(CNc3ccc4c(c3)OCCO4)cc2c1 105867649 VOIQNRUPTDPBBI-UHFFFAOYSA-N 350.418 3.864 0 40 FHAB CCCn1nc(C(=O)OCc2c(F)cccc2Cl)c2ccccc2c1=O 3421203 GFSQSGPNFVKWCG-UHFFFAOYSA-N 374.799 3.956 0 40 FHAB Cc1ccc2c(COC(=O)COc3ccccc3Cl)cc(=O)oc2c1 3475962 QMHIMZQOGKLHKS-UHFFFAOYSA-N 358.777 3.877 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCC[C@@H](C)C3)c2)cc1 16642319 XYUHIVNHKYIOHJ-MRXNPFEDSA-N 372.490 3.668 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)Sc2nncn2-c2ccccc2)c(F)c1 22942883 ONZHFCRILILALR-ZDUSSCGKSA-N 356.426 3.834 0 40 FHAB COc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CSC3)cc1 3892406 ZBCGPRNMSOEVKC-UHFFFAOYSA-N 351.431 3.880 0 40 FHAB O=C(Nc1ccc(F)c(F)c1)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4374335 UCPFBJZPUHPUKO-GFCCVEGCSA-N 365.767 3.545 0 40 FHAB Cc1cccc(Cn2cccc(C(=O)Nc3cc(F)ccc3F)c2=O)c1 5269694 RRNWIHUYOBFFNO-UHFFFAOYSA-N 354.356 3.736 0 40 FHAB CCCNC(=O)Cc1csc(SCc2cc(OC)cc(OC)c2)n1 8853584 ZFMKNTVEULYPHP-UHFFFAOYSA-N 366.508 3.521 0 40 FHAB CCCCNC(=O)Cc1csc(SCC(=O)c2ccc(F)cc2)n1 12444178 RIPKFQQTDVMYGX-UHFFFAOYSA-N 366.483 3.716 0 40 FHAB COc1ccc2c(c1)c1nc(SCc3ccccc3)n(C)c(=O)c1n2C 33287764 XIUNUHKGKGUJGT-UHFFFAOYSA-N 365.458 3.726 0 40 FHAB COc1ccccc1C1(C(=O)NC[C@H](O)c2csc3ccccc23)CC1 585371783 DJZKUUZGJYBDBQ-KRWDZBQOSA-N 367.470 3.791 0 40 FHAB O=C(NC[C@@](O)(c1ccoc1)c1cccs1)c1c(F)cccc1Cl 244970225 HONBNEAVDBSJHP-QGZVFWFLSA-N 365.813 3.800 0 40 FHAB CC(=O)NCCCCCNc1ccc2nc(-c3ccc(O)cc3)[nH]c2c1 45206855 KILDFABGYQUVIL-UHFFFAOYSA-N 352.438 3.654 0 40 FHAB CCNC(=O)c1cccc(CNC(=O)c2ccc(Cl)c(Cl)c2)c1 36391352 YNZAQZHJWZOAJL-UHFFFAOYSA-N 351.233 3.673 0 40 FHAB CC[C@H](C)[C@H](CO)NC(=O)c1ccc2nc(-n3c(C)ccc3C)sc2c1 209100659 VYXMDMSVLQJDCU-SJCJKPOMSA-N 371.506 3.841 0 40 FHAB C[C@H](NS(=O)(=O)N1CCCC[C@@H]1C)C(c1ccccc1)c1ccccc1 30358540 OJONXKXLABPKAV-ROUUACIJSA-N 372.534 3.916 0 40 FHAB O=C(COC(=O)c1ccc(F)c(Cl)c1)NCc1ccc(F)c(Cl)c1 51354080 ZRJBAHXVSOCILP-UHFFFAOYSA-N 374.170 3.745 0 40 FHAB CC(=O)c1ccc(C(=O)O[C@@H](C(=O)N2CCCCC2)c2ccccc2)s1 32776863 BTYFJOMUCHWWRV-GOSISDBHSA-N 371.458 3.861 0 40 FHAB Cc1ccc(C)c(C(=O)[C@H](C)OC(=O)c2ccc3c(c2)OCCCO3)c1 32719113 LJEMFBVJMOAYFD-HNNXBMFYSA-N 354.402 3.893 0 40 FHAB COC(=O)c1ccoc1COC(=O)Cc1csc(-c2cccs2)n1 32894885 RRHCJXMWUCTABN-UHFFFAOYSA-N 363.416 3.537 0 40 FHAB CCc1c(C(=O)N[C@@H](C)c2ccc3c(c2)OCCCO3)[nH]c(C)c1C(C)=O 52509888 MMALLABMORFHJJ-LBPRGKRZSA-N 370.449 3.740 0 40 FHAB COc1cc(OC)c2cc(C(=O)N(Cc3ccco3)C3CC3)[nH]c2c1OC 33007573 JFMZKXLNHBDGMK-UHFFFAOYSA-N 370.405 3.592 0 40 FHAB O=C(N/C(=C/c1ccccc1F)C(=O)N1CCCCCC1)c1ccccc1 824954 SSROSODITJEHOA-CAPFRKAQSA-N 366.436 3.999 0 40 FHAB Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(Br)ccc(c23)C1=O 840950 UKRUVKDTLCRXNL-UHFFFAOYSA-N 370.206 3.743 0 40 FHAB CCOC(=O)[C@@H](C)n1cnc2scc(-c3ccc(C)c(C)c3)c2c1=O 921265 CCDKSFRQRUWOOB-CYBMUJFWSA-N 356.447 3.866 0 40 FHAB O=S(=O)(c1cccc(-c2nnc(-c3ccccc3)o2)c1)N1CCCCC1 1097995 ZMZVUCMTYKBPQI-UHFFFAOYSA-N 369.446 3.578 0 40 FHAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccccc1CC 2265479 ANBYSFUQFLHYBB-UHFFFAOYSA-N 365.437 3.762 0 40 FHAB Nc1nnc(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)s1 2619993 CPBRALZOUZFPML-ZDUSSCGKSA-N 360.439 3.732 0 40 FHAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(F)c1 2644603 DNWHLQKFHFQHQC-UHFFFAOYSA-N 374.231 3.788 0 40 FHAB COc1ccc(NC(=O)CSc2nccn2-c2cccc(OC)c2)cc1 2723123 WQYIMWONTDFQLR-UHFFFAOYSA-N 369.446 3.620 0 40 FHAB CCOC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1 3243298 SDCBMKYBNDHCNB-UHFFFAOYSA-N 352.390 3.733 0 40 FHAB C[C@H](NC(=O)COC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1 3319417 JAASEHOJEGWCGS-ZDUSSCGKSA-N 365.351 3.669 0 40 FHAB Cc1ccsc1C(=O)O[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl 3347802 UNRFRANJKRUHRH-QMMMGPOBSA-N 359.234 3.942 0 40 FHAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc3ncsc3c2)c1 3382520 LFRMUPVFFSGORD-UHFFFAOYSA-N 353.447 3.624 0 40 FHAB Cc1nc2sc([C@H](c3ccco3)N3CCc4ccccc4C3)c(O)n2n1 4121037 LGBUTYWRDCVEMH-INIZCTEOSA-N 366.446 3.546 0 40 FHAB CS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2cccs2)cs1 4517714 TVIKIQDTFHRUCV-UHFFFAOYSA-N 364.473 3.527 0 40 FHAB COc1ccc2oc(C(=O)O[C@H](C)C(=O)NCc3ccccc3)c(C)c2c1 4524794 DXNALCJFNAPWNH-CQSZACIVSA-N 367.401 3.612 0 40 FHAB COc1cccc(CN2CCC(C(=O)N(C)Cc3ccccc3)CC2)c1 4679655 OZHXVLHKZBGOIF-UHFFFAOYSA-N 352.478 3.566 0 40 FHAB CC(C)N1C(=O)S/C(=C\c2cc3c(cc2Br)OCO3)C1=O 4704789 VJPUIAYVHAZTEX-QCDXTXTGSA-N 370.224 3.623 0 40 FHAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccccc1C 5030867 NWNDGWKRBXHOMF-UHFFFAOYSA-N 351.410 3.508 0 40 FHAB O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1ccc(F)cc1 5169700 NTXYILXMJKNERK-UHFFFAOYSA-N 362.158 3.891 0 40 FHAB CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccccc2)NC(=S)N1 5482478 QGWUAKVKCIPVMV-INIZCTEOSA-N 357.866 3.772 0 40 FHAB COc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)c(OC)c1OC 6329297 SINMOABNEZGKOI-UHFFFAOYSA-N 353.321 3.566 0 40 FHAB CC(C)Cc1ccc([C@@H](C)NC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1 7405000 VGRZICIJPIQNOA-MRXNPFEDSA-N 373.518 3.921 0 40 FHAB COc1ccc(-c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)cc1 7987661 PBTDAECOEYLXGC-UHFFFAOYSA-N 374.487 3.882 0 40 FHAB COc1ccc(CN(C)C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1F 8072646 BRGGKLATSZAPIJ-SFHVURJKSA-N 373.424 3.664 0 40 FHAB Cc1ccccc1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 8310283 DTATYOIEPYFIFK-IBGZPJMESA-N 366.461 3.932 0 40 FHAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCCNC(=O)c1cccs1 8401836 JSUKFYJABCKQDR-GQCTYLIASA-N 369.273 3.614 0 40 FHAB O=C(O)c1nc(-c2ccc(Br)cc2)n(-c2ccc(F)cc2)n1 8730840 RDXROJLLMSFBCW-UHFFFAOYSA-N 362.158 3.534 0 40 FHAB Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2nc(C)c(C)s2)c1 8747173 GKXPXJYYSKNMGE-UHFFFAOYSA-N 373.507 3.688 0 40 FHAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2c(Cl)cccc2Cl)n1 8816072 YAUGXEUJUJPFQU-UHFFFAOYSA-N 372.277 3.760 0 40 FHAB biogenic,in-vitro Cc1ccccc1[C@H]1CC(=O)c2cnc3[nH]n(-c4ccccc4)c(=O)c3c2C1 9698472 XWXSJFVEYFUISB-OAHLLOKOSA-N 369.424 3.935 0 40 FHAB Cc1cccc(CC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)c1 10971966 NVJSGLPVONHWPG-UHFFFAOYSA-N 352.434 3.558 0 40 FHAB Cc1ccc2nc(C)c(NC(=O)c3ccc(C(F)(F)F)cc3)c(=O)n2c1 12180737 BKZPQIYDALEKLQ-UHFFFAOYSA-N 361.323 3.582 0 40 FHAB COc1ccc(Br)c(C(=O)N2CCc3sccc3C2)c1 12214230 HGNDNIZYVIUSRT-UHFFFAOYSA-N 352.253 3.718 0 40 FHAB O[C@@H](COc1ccccc1F)Cn1c(-c2cscn2)nc2ccccc21 12520025 JXSUKCWQVWDGTI-CYBMUJFWSA-N 369.421 3.739 0 40 FHAB Cc1ccccc1CN(C)C(=O)NCc1cccc(NC(=O)C2CC2)c1 12738773 RYCKADXPMYGFRW-UHFFFAOYSA-N 351.450 3.685 0 40 FHAB Cc1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cc1C 12745438 IBTAZSAMWRMYPR-UHFFFAOYSA-N 372.490 3.730 0 40 FHAB CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(C)cc1 12772505 BEBBIRCWRHEHLP-SFHVURJKSA-N 357.429 3.741 0 40 FHAB COc1cc(/C=C/C(=O)N(C)c2nc3ccccc3o2)cc(OC)c1OC 12786981 JHYRYMIJPZYJCA-MDZDMXLPSA-N 368.389 3.530 0 40 FHAB C[C@H](OCCCNC(=O)CCc1ccc2c(c1)OCO2)c1ccccc1 12920260 KPPJTUJKNUJGIO-INIZCTEOSA-N 355.434 3.632 0 40 FHAB Clc1cc(CSc2nnc3n2CCCCC3)cc2c1OCCO2 12991026 DQVKIOPBRAJYTO-UHFFFAOYSA-N 351.859 3.721 0 40 FHAB CC(C)(C)C1CCC(OC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 13071264 MNWJXKPPRZYIBL-BHUNQDJPSA-N 363.498 3.700 0 40 FHAB O=c1/c(=C\c2ccc(Cl)c(Cl)c2)sc2nnc(-c3ccccc3)n12 13547400 ZBNHNKXKWUXOFV-NTEUORMPSA-N 374.252 3.673 0 40 FHAB CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(N2C(=O)CCC2=O)cc1 14226690 VHTGMGIKLNZDAT-MRXNPFEDSA-N 364.445 3.781 0 40 FHAB CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(N2C(=O)CCC2=O)cc1 14226693 VHTGMGIKLNZDAT-INIZCTEOSA-N 364.445 3.781 0 40 FHAB Brc1ccc([C@H]2C[C@@H](c3cccs3)n3nnnc3N2)s1 15866378 WNEVZIOUBIOQKQ-SFYZADRCSA-N 368.285 3.705 0 40 FHAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(c2ccccn2)CC1 16638371 FUPWZQGEVFLSJA-UHFFFAOYSA-N 367.836 3.957 0 40 FHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccccc2F)c1 19078610 STLWLEFDEUNCDD-KDOFPFPSSA-N 373.424 3.974 0 40 FHAB Cc1nc(C)c(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(=O)[nH]1 19937431 GUIRCTHWQVXSGM-UHFFFAOYSA-N 360.628 3.528 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)cc1Cl 20029821 ONBYYAPPKKWVKF-UHFFFAOYSA-N 351.733 3.567 0 40 FHAB Cc1cc(C)cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c1 20039404 QCAMKUQGPDGBCC-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB O=c1ccc(-c2ccco2)c2n1C[C@H]1C[C@@H]2CN(Cc2cccs2)C1 20503421 JOACMQDQLSXFBH-LSDHHAIUSA-N 352.459 3.789 0 40 FHAB C[C@@H](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccc(F)cc1F 22316239 ACAPZTXTBQIIDQ-OCCSQVGLSA-N 358.388 3.733 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)N(C)Cc1ccccc1N1CCCC1 22843872 NIXKIDFVFVHSNR-UHFFFAOYSA-N 362.470 3.555 0 40 FHAB Cc1ccc(-c2noc([C@H](C)N3CCN(Cc4ccccc4)CC3)n2)cc1 26597644 UMEJITVUHDJHPA-SFHVURJKSA-N 362.477 3.924 0 40 FHAB COc1ccc(OC)c(NC(=O)Nc2ccn(Cc3cccc(F)c3)n2)c1 27916624 JRKQEZRJYHKEDD-UHFFFAOYSA-N 370.384 3.732 0 40 FHAB Cc1cccc(OCC(=O)Nc2ccccc2C(=O)N2CCCCC2)c1C 27917663 FPQQOISSBDQWIT-UHFFFAOYSA-N 366.461 3.947 0 40 FHAB O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(c2nc3ccccc3[nH]2)CC1 29268255 UBIIXPZKJKRDDS-UHFFFAOYSA-N 371.444 3.973 0 40 FHAB Cc1cccc(Cn2nccc2NC(=O)CSCc2c(C)noc2C)c1 30527574 PYXFXKRUDWZWAH-UHFFFAOYSA-N 370.478 3.717 0 40 FHAB CC(C)[C@H](NC(=O)CCc1nc(-c2ccccn2)no1)c1cccs1 30573139 SRYNQCNQTHTDOR-KRWDZBQOSA-N 356.451 3.639 0 40 FHAB COc1ccc(CCNC(=O)Cc2csc(Cc3ccccc3)n2)cc1 31547774 ZAISWWGYQOQORS-UHFFFAOYSA-N 366.486 3.644 0 40 FHAB CC(C)/N=c1\ccccn1C(=O)c1cc2cccc(Br)c2o1 31716636 VSVBZWAAGKEHHB-XDJHFCHBSA-N 359.223 3.994 0 40 FHAB CN(Cc1ccccc1Cl)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 32962323 UYYIPTOOSDWFRT-HNNXBMFYSA-N 352.862 3.698 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)cc1C 33026482 HYQVEDHQCCBMNL-RDTXWAMCSA-N 358.463 3.699 0 40 FHAB CCOc1ccc(-c2noc(-c3c[nH]c4ccccc4c3=O)n2)cc1OC 35592663 YDVXJORSKXTOCL-UHFFFAOYSA-N 363.373 3.652 0 40 FHAB C[C@@H]1Oc2c(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cccc2[C@H]1C 37195898 DOEWPCLDVJVGFT-XYJFISCASA-N 350.462 3.575 0 40 FHAB O=C(COC1CCCCC1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 40140440 ATMQGIQABUYTBB-UHFFFAOYSA-N 374.462 3.869 0 40 FHAB CCc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)o1 40145444 OBKHVONPPIFXTE-UHFFFAOYSA-N 368.355 3.950 0 40 FHAB C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 40159930 WNGBTUOHTLOWQY-WFASDCNBSA-N 352.862 3.917 0 40 FHAB O=C(O)[C@@H]1CC(=O)N(c2cc(-c3nc4ccccc4o3)ccc2Cl)C1 45887449 FVQHTMANVJUKOI-LLVKDONJSA-N 356.765 3.586 0 40 FHAB COc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 46085620 DOGVGGSVHPBSNK-CQSZACIVSA-N 363.841 3.620 0 40 FHAB COc1ccc2c(c1)NC(=O)[C@]21Nc2ccccc2C(=O)N1c1ccccc1 48311959 CZYYSDLMTGBRRE-QFIPXVFZSA-N 371.396 3.573 0 40 FHAB CC(=O)N1CCCN(C(=O)c2cc3sc4ccccc4c3s2)CC1 53356489 DEFRBQTVHZTIGC-UHFFFAOYSA-N 358.488 3.810 0 40 FHAB Cc1nc(Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c2cnn(C)c2n1 54041668 TWRPITOFBYALSV-UHFFFAOYSA-N 362.364 3.834 0 40 FHAB CCC[C@@H](c1nnnn1C(C)(C)CC)N1CCN(c2ccccc2F)CC1 57669865 SVKAQYVXKWBOLA-SFHVURJKSA-N 374.508 3.621 0 40 FHAB O=C(N[C@H]1CCOc2ccccc21)[C@H]1CCCN(Cc2cccc(F)c2)C1 58423472 LHSJRDOYLDHFDF-PXNSSMCTSA-N 368.452 3.678 0 40 FHAB CSc1ccccc1NC(=O)CCSc1nnnn1C1CCCC1 58492067 PEIYIDKDCUEJBL-UHFFFAOYSA-N 363.512 3.631 0 40 FHAB Cc1ccc(COc2ccc(/C=C/C(=O)N[C@H](C(=O)O)C(C)C)cc2)cc1 62715055 RFTYALZNDDTQRB-BGVYSJOJSA-N 367.445 3.813 0 40 FHAB Cc1nc(C(C)C)sc1C(=O)NC(C)(C)c1noc(C(C)(C)C)n1 63957963 FBOSKKWIEONWRT-UHFFFAOYSA-N 350.488 3.921 0 40 FHAB Cc1cc2c(cc1C(=O)Nc1ccc3c(c1)OCCCO3)OCCCO2 65315007 SCIYBWVTVYJGOJ-UHFFFAOYSA-N 355.390 3.570 0 40 FHAB O=C(NC1CC1)c1cccc(NC(=O)C2CCC(n3cccc3)CC2)c1 69349344 MTYKCNDAHIZWID-UHFFFAOYSA-N 351.450 3.750 0 40 FHAB C[C@@H](C(=O)NC(C)(C)C)[S@](=O)Cc1csc(-c2ccc(F)cc2)n1 71801125 HFAUKMWKBLTKLP-BUBHHJDNSA-N 368.499 3.501 0 40 FHAB O=C(Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1)[C@@H]1CCCO1 72276840 MBIKPFLCRMJACV-AWEZNQCLSA-N 351.328 3.962 0 40 FHAB Clc1ccc(CN2CCOC[C@H]2c2nc(-c3cccnc3)c[nH]2)cc1 72322051 FZCHFWHDDFUMAG-SFHVURJKSA-N 354.841 3.699 0 40 FHAB biogenic,in-vitro COc1cccc(Oc2nccnc2[C@@H]2CCCN(C(=O)C(C)C)C2)c1 72361918 ZGCSVONXAJZLPD-OAHLLOKOSA-N 355.438 3.640 0 40 FHAB Cc1nc2c(c(Nc3ccccn3)n1)CCN(C(=O)CC1CCCCC1)C2 72380759 VUKUVNHKXYOYCD-UHFFFAOYSA-N 365.481 3.779 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)c1cccnc1N(C)C 75106193 XWKGPYJJNBFBRZ-NSHDSACASA-N 368.264 3.885 0 40 FHAB CN(CC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1)C(=O)OC(C)(C)C 78406158 QYFWQADWEKTUKT-UHFFFAOYSA-N 358.442 3.636 0 40 FHAB O=C(NCCSCc1cccc(Cl)c1)[C@H]1COc2ccccc2O1 78582509 ADHIGKCKTZITHE-QGZVFWFLSA-N 363.866 3.529 0 40 FHAB COc1ccccc1-c1nc(CN2CCc3ccccc3[C@H]2CO)cs1 79075050 GXASCMJWOIHTAQ-LJQANCHMSA-N 366.486 3.910 0 40 FHAB O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)O[C@@H]1CCOC1=O 84335359 SWWMSFSWQVCEDS-FMBMQGQPSA-N 368.229 3.596 0 40 FHAB O=C(/C=C/c1c(Cl)nc2ccccn12)N[C@@H]1C[C@H]1c1ccc(F)cc1 84606525 VBYJMOTUCREWLJ-MATWNZDUSA-N 355.800 3.812 0 40 FHAB Cc1nc(-c2cc3c(s2)CCN(CC(=O)N[C@H](C)C(C)C)C3)cs1 93259427 KRIRRJZGTQEIPH-GFCCVEGCSA-N 363.552 3.699 0 40 FHAB CC[C@H](Oc1ccccc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 95482487 OVNPDDFWOBIMMT-INIZCTEOSA-N 371.824 3.864 0 40 FHAB Cc1cccc(CN2CC[C@@]3(CCN(Cc4ccc(F)cc4)C3)C2=O)c1 96077347 SNGOTXBYCFKBPD-JOCHJYFZSA-N 352.453 3.759 0 40 FHAB COc1cccc(-c2cccc3c([C@@H]4CN(CC5CC5)CCO4)ncn23)c1 96155872 WAPVAEHEDLGCJP-NRFANRHFSA-N 363.461 3.793 0 40 FHAB COc1ccc(CC(=O)N[C@@H]2CCCc3c2[nH]c2ccccc32)cc1OC 96231932 PXZPNKXRCBYFNL-GOSISDBHSA-N 364.445 3.921 0 40 FHAB C[C@H](c1ccccc1)N1CC[C@@H](N[C@@H](CO)c2cc(F)c(F)c(F)c2)C1 108160532 MYGPGIAZWSVKRK-NRXGSXMXSA-N 364.411 3.562 0 40 FHAB O=C(CN1C(=O)[C@H]2CCCC2=Nc2ccccc21)N[C@H]1CCc2ccccc21 108892428 LGNMTTKXCKEPOS-HKUYNNGSSA-N 373.456 3.710 0 40 FHAB COc1cc(C)c([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OC 222565150 CBYGHSMHRGHXNH-AGRHKRQWSA-N 369.490 3.997 0 40 FHAB COC(=O)c1cn(C(=O)c2ccc(Cn3ccnc3C)cc2)c2ccccc12 222649983 WRZPGRRHNKJQOT-UHFFFAOYSA-N 373.412 3.670 0 40 FHAB COc1cccc(OCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 222793884 XNZJAQJQGLONCO-SFHVURJKSA-N 355.434 3.801 0 40 FHAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 222818379 DUGVFTPLYIFLSJ-OALUTQOASA-N 363.490 3.648 0 40 FHAB CCC(C)(C)NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 224046046 JEGBMOFZETZJDO-UHFFFAOYSA-N 360.479 3.714 0 40 FHAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccc(F)cc1 224286119 SKFYCGQKSOXCAW-OAHLLOKOSA-N 353.393 3.941 0 40 FHAB Cc1cccc(S(=O)(=O)Nc2cnc(Oc3ccccc3F)nc2)c1 224286490 CXMPOPKHJHCMGI-UHFFFAOYSA-N 359.382 3.517 0 40 FHAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NCC(C)C 224421320 NSDNCAPAZROQME-LBPRGKRZSA-N 359.297 3.893 0 40 FHAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CC(=O)Nc2ccccc21 225560363 DEBRIMWELQXZMI-HXUWFJFHSA-N 364.445 3.708 0 40 FHAB CCOC(=O)c1cccc(NC(=S)NCCOc2ccc(C)cc2)c1 225562718 PEHZADRFPRWHIZ-UHFFFAOYSA-N 358.463 3.537 0 40 FHAB Cc1c(Br)cc2c(c1C)OC[C@H](N1CCCC[C@H]1C)C2=O 248094974 MJIALHBFRVZOGC-BMIGLBTASA-N 352.272 3.884 0 40 FHAB CCN(Cc1ccccc1)c1nn(-c2cc(C)ccc2C)nc1C(=O)O 256048739 VVULDKULHPDQEG-UHFFFAOYSA-N 350.422 3.609 0 40 FHAB Cc1nccc(C(=O)N2CCC[C@H](Cc3ccc4cnccc4c3)CC2)n1 257274303 NKKUIIBHVIQZOR-KRWDZBQOSA-N 360.461 3.818 0 40 FHAB COc1ccccc1[C@@H]1Cn2c(C)cnc2CN1C(=O)c1ccsc1 257280993 ONFUGHAJNFHSJD-INIZCTEOSA-N 353.447 3.659 0 40 FHAB Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCN(Cc3cnn(C)c3)C2)n1 257292674 QMMYZORCGRWUCT-KRWDZBQOSA-N 365.456 3.996 0 40 FHAB CC[C@@H](O)Cn1nc(-c2ccc(C(=O)O)cc2)cc1-c1ccccc1OC 257301994 SAXHGFLYXDUZQC-MRXNPFEDSA-N 366.417 3.695 0 40 FHAB Cc1ccccc1NC(=O)CSc1nnc(COc2ccccc2F)o1 409386242 ROZWWBLYOLTVOD-UHFFFAOYSA-N 373.409 3.827 0 40 FHAB CCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 409411140 DCFOKWLKWXVARZ-UHFFFAOYSA-N 366.870 3.671 0 40 FHAB O=C(Nc1ccccc1N1CCCC1=O)N1CC[C@@H](c2ccccc2F)C1 503719662 CFMLVTAPOZDYCB-OAHLLOKOSA-N 367.424 3.974 0 40 FHAB Cc1cc(C)cc(C(=O)N2CCC3(CCC(=O)N(CC4CCC4)C3)CC2)c1 585101980 OWNIASBFYLDYBZ-UHFFFAOYSA-N 368.521 3.948 0 40 FHAB O=C(Nc1ccc(C2CCC2)cn1)N[C@@H](C[C@H]1CCCO1)C(F)(F)F 654104712 UHJDRKPONGRNRB-KGLIPLIRSA-N 357.376 3.971 0 40 FHAB C=CC(=O)Nc1cccc(C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)c1 1155823234 FGQZDEGDUXNJGT-SECBINFHSA-N 369.368 3.777 0 40 FHAB O=C(N[C@@H](c1cccs1)C1CCOCC1)c1ccc2nccnc2c1 1565523444 PAFBYXDFLJZZBF-GOSISDBHSA-N 353.447 3.589 0 40 FHAB CC1(C)C[C@@H]2CN(C(=O)c3cncs3)CC[C@@H]2N1c1cccc(F)c1 1615160241 YGQGUPMTBWPDSC-CJNGLKHVSA-N 359.470 3.802 0 40 FHAB Cc1nc2ccccc2n1C1CN(C(=O)CCc2c[nH]c3ccccc23)C1 1775974130 LIJOFANHVXVNIY-UHFFFAOYSA-N 358.445 3.842 0 40 FHAB O=C(CCCc1ccccc1)N[C@H]1CCN(c2cc(-c3ccccc3)[nH]n2)C1 1889149228 VLCQXQMVBJEDOY-FQEVSTJZSA-N 374.488 3.795 0 40 FHAB CC(C)=C[C@H]1Oc2cc(O)ccc2-c2oc3cc(O)cc(O)c3c(=O)c21 595402 VHNPAPHWKVLGHG-OAHLLOKOSA-N 352.342 3.977 0 40 FHAB endogenous,in-man COc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c(C)c1 652763 BQZHYBJTKMYHAH-UHFFFAOYSA-N 353.344 3.735 0 40 FHAB CCN(c1ccccc1C)S(=O)(=O)c1ccc(Br)cc1 834052 VWQNMDULEGFFTK-UHFFFAOYSA-N 354.269 3.973 0 40 FHAB COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cn(C(C)C)c3ccccc23)C1=O 981710 JAVLLCNTRSKEAK-DZZSIBQASA-N 372.446 3.820 0 40 FHAB CSc1nnc2n(-c3cccc(C)c3)c(=O)c3c4c(sc3n12)CCC4 1246635 NAPLPYXDPCQMCN-UHFFFAOYSA-N 368.487 3.614 0 40 FHAB COC(=O)[C@@](O)(c1c(-c2ccccc2)n(C)c2ccccc12)C(F)(F)F 2052708 HNDDASPYCWSJAZ-SFHVURJKSA-N 363.335 3.768 0 40 FHAB O=C(CSc1ncnc2c1oc1ccccc12)NCCc1ccccc1 2401359 BRYAFURNSRMJSM-UHFFFAOYSA-N 363.442 3.827 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 2645361 ZKRLRHHSWPBAEO-UHFFFAOYSA-N 359.325 3.589 0 40 FHAB COC(=O)c1ccc2c(=O)n(Cc3cccc(Cl)c3)c(=S)[nH]c2c1 2969796 SXCIXZNQOMRZCY-UHFFFAOYSA-N 360.822 3.547 0 40 FHAB CCOC(=O)C1=C(N)Oc2c(ccc3cccnc23)[C@@H]1c1cccc(F)c1 3073379 CAOUNIWKBXELJL-INIZCTEOSA-N 364.376 3.632 0 40 FHAB C[C@]1(c2ccccc2Cl)NC(=O)N(Cc2nc3ccccc3s2)C1=O 3274431 ZWTQBOVMZNBVOD-GOSISDBHSA-N 371.849 3.917 0 40 FHAB O=C1CN(C(=O)CCCc2nc3ccccc3s2)c2ccccc2N1 3303121 OAIZWXUKOSBGNI-UHFFFAOYSA-N 351.431 3.604 0 40 FHAB Cc1ccc(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1 3318944 YNCOTOCPVRKGPX-UHFFFAOYSA-N 350.418 3.981 0 40 FHAB Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3ccc(Cl)cc3)cc12 3911832 MCGZFUMZRFPITF-UHFFFAOYSA-N 354.837 3.771 0 40 FHAB Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccccc3C)co2)n1 4377167 QZKVNXXOESXTSG-UHFFFAOYSA-N 368.414 3.558 0 40 FHAB Cc1nc(C)c(-c2ccc(SCC(=O)NCc3ccccc3)nn2)s1 4392220 BSCJYKYHVKWYJJ-UHFFFAOYSA-N 370.503 3.625 0 40 FHAB CC(C)c1ccc(OC[C@@H](O)Cn2c([C@@H](C)O)nc3ccccc32)cc1 4942773 OUDRASISVZROQK-WBVHZDCISA-N 354.450 3.653 0 40 FHAB COc1ccc(-c2cc(C(=O)NC3=NCCS3)c3ccccc3n2)cc1 5171778 JKEWKYKSBZTENX-UHFFFAOYSA-N 363.442 3.743 0 40 FHAB CCN(CC)CCOC(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 5499402 ZTARBFNFLZKCMN-UHFFFAOYSA-N 371.506 3.994 0 40 FHAB CC1=C(C(=O)Nc2ccc(C)c(C)c2)[C@H](c2ccccc2F)NC(=S)N1 5504509 QZFNDWYSFQKFBY-SFHVURJKSA-N 369.465 3.874 0 40 FHAB COc1ccc(CCNC(=O)COc2cc(C)ccc2C(C)C)cc1OC 5542664 CJCPCTWRESAVAF-UHFFFAOYSA-N 371.477 3.873 0 40 FHAB COc1cccc(/C=C/C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c1 6789653 MSGXOTZPULLFDN-FNNXTJRKSA-N 367.445 3.993 0 40 FHAB CCCCc1ccc(NS(=O)(=O)c2ccc(CCC(=O)O)cc2)cc1 7813987 JYDLMZYTCACAQI-UHFFFAOYSA-N 361.463 3.847 0 40 FHAB O=C(CCNC(=O)c1ccccc1Cl)N[C@H]1CCSc2ccccc21 7814064 QSUWGSXQTGMENM-INIZCTEOSA-N 374.893 3.813 0 40 FHAB O=C(COc1ccccc1Cl)Nc1ccc(OC[C@H]2CCCO2)cc1 8160752 CGDMEDWEUJSSRN-MRXNPFEDSA-N 361.825 3.915 0 40 FHAB COc1cccc(CNCCCN(C)C)c1OCc1ccccc1Cl 8373902 CRXVSTXZKILNTH-UHFFFAOYSA-N 362.901 3.969 0 40 FHAB O=C(COc1cccc(Cl)c1)NCc1ccc(CN2CCCC2)cc1 8430300 DMVXLVVYJLRGKP-UHFFFAOYSA-N 358.869 3.631 0 40 FHAB CCCNC(=O)c1nc(-c2ccc(C)cc2)n(-c2ccc(OCC)cc2)n1 8476398 JMKFDSFQNFULMX-UHFFFAOYSA-N 364.449 3.781 0 40 FHAB C[C@H]1C[C@H](Sc2nc(-c3ccc(Br)cc3)c[nH]2)C(=O)O1 8719971 ZKXUQITTWSLOJL-UFBFGSQYSA-N 353.241 3.635 0 40 FHAB C[C@@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(Cl)c(Cl)c1 9689763 HAPXXSJWXXCJQD-SECBINFHSA-N 362.216 3.721 0 40 FHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)Nc2ccccc2)CC1 10464627 HKRVWCJSPMMLRE-UHFFFAOYSA-N 366.417 3.585 0 40 FHAB O=C(NCc1ccccc1)NC1(C(=O)OCc2ccccc2)CCCC1 10776315 RPPYNYYMQHIEFG-UHFFFAOYSA-N 352.434 3.542 0 40 FHAB CC(C)C(=O)Nc1ccc(N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 11261225 ALHZLEBINGDCDW-LJQANCHMSA-N 369.440 3.852 0 40 FHAB COC(=O)Cn1c(SCCOc2cccc(C)c2)nc2ccccc21 11667482 DGCVXBCXTVYQEA-UHFFFAOYSA-N 356.447 3.689 0 40 FHAB CCC[C@H](NC(=O)c1sc2ncn(C)c(=O)c2c1C)c1cccs1 12200197 GAZVQCSGDHAGCC-NSHDSACASA-N 361.492 3.636 0 40 FHAB C[C@@H](O)c1nc2ccccc2n1C[C@H](O)COc1ccc(C(C)(C)C)cc1 12507042 ADRSLLHMZWTRNL-WBVHZDCISA-N 368.477 3.827 0 40 FHAB Cn1ccnc1[C@H](NC(=O)Cc1ccc(F)cc1)c1ccc(Cl)cc1 12559778 RZLNSFUHAFDDKJ-GOSISDBHSA-N 357.816 3.661 0 40 FHAB C[C@@H](CNc1nnnn1-c1ccccc1)c1nc2ccccc2n1C(F)F 12629989 SDAPSBWIEOHSBN-LBPRGKRZSA-N 369.379 3.623 0 40 FHAB Cc1cc(NC(=O)CCNC(=O)c2ccsc2)ccc1Br 12906008 OLVFLZWGOCEBAM-UHFFFAOYSA-N 367.268 3.578 0 40 FHAB O=C(CSc1nc2ccccc2n1CCc1ccccc1)NC1CC1 12970522 NFFJDPVTFYBRDF-UHFFFAOYSA-N 351.475 3.650 0 40 FHAB C[C@@H](NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)c1ccccc1Cl 12996834 YOFFTRNYVSHSNU-SNVBAGLBSA-N 372.273 3.888 0 40 FHAB C[C@]1(C(=O)Nc2ccc(-c3nccs3)cc2)Cc2ccccc2C(=O)O1 14112118 HVGBPOKLBBOMPY-HXUWFJFHSA-N 364.426 3.920 0 40 FHAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1nc2ccc(F)cc2s1 14158311 IXFHDEMDHRGNNS-GFCCVEGCSA-N 369.421 3.965 0 40 FHAB CNC(=O)c1ccc(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)cc1 14168916 SFFWCULVXSVLRA-UHFFFAOYSA-N 369.421 3.870 0 40 FHAB Cc1cccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)cc2)c1 14257759 JAGUANWETWVQLN-UHFFFAOYSA-N 355.463 3.716 0 40 FHAB COc1cccc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c1 16840058 VYWQAXNRULTKGG-UHFFFAOYSA-N 359.429 3.837 0 40 FHAB Cc1cnc(N2C(=O)CS[C@H]2c2ccc(Br)cc2)s1 17198043 OWAMVMDWHNIZFF-LBPRGKRZSA-N 355.282 3.993 0 40 FHAB C[C@H](CCc1ccc(F)cc1)NC(=O)c1ccccc1Cn1ccnc1 19455765 SGEDPBOJGXBLIU-MRXNPFEDSA-N 351.425 3.822 0 40 FHAB CCC(=O)N1CCC[C@@H]1Cn1c(C(F)(F)F)cc(=O)c2cc(C)ccc21 19498773 BWUMVDLSGPEKFF-CYBMUJFWSA-N 366.383 3.730 0 40 FHAB CC[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccc(OC)cc1 19933261 BUKQJXXSHZLIHQ-QGZVFWFLSA-N 353.871 3.919 0 40 FHAB CCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)c1ccccc1Cl 20011448 JLMBVCCIDDLGCT-GFCCVEGCSA-N 351.855 3.625 0 40 FHAB Cc1nn(-c2ncccn2)c2c1[C@H](c1cc(F)ccc1F)SCC(O)=N2 20717365 LEGBBOMHKATVOK-HNNXBMFYSA-N 373.388 3.673 0 40 FHAB O=C(COC(=O)CC1CCCC1)Nc1ccc2c(c1)OC1(CCCC1)O2 21467191 QOMHVFVGCQDWDW-UHFFFAOYSA-N 359.422 3.790 0 40 FHAB CCOC(=O)Nc1cccc(OS(=O)(=O)c2ccccc2Cl)c1 22454808 JOXFGHRVCPIHHS-UHFFFAOYSA-N 355.799 3.676 0 40 FHAB Cc1sc2nc(CSCc3nc(C(C)C)no3)[nH]c(=O)c2c1C 22750565 PIGWDMYVYWTLHF-UHFFFAOYSA-N 350.469 3.541 0 40 FHAB c1ccc(-n2nnnc2CN(Cc2ccco2)Cc2cccs2)cc1 23908328 BJRMWNWVVXUXJB-UHFFFAOYSA-N 351.435 3.519 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)C1(CC(=O)NC(C)(C)C)CCCC1 24540757 MVZNYPWKZUNJGC-KRWDZBQOSA-N 358.526 3.989 0 40 FHAB Cn1cc(C(=O)Nc2ccccc2NC(=O)c2ccc(Cl)cc2)cn1 24640280 PXDGSWSDDNDXNK-UHFFFAOYSA-N 354.797 3.578 0 40 FHAB CCN(CC(=O)Nc1cc(Cl)ccc1C)Cc1nc(-c2ccco2)no1 24865449 ZDEYFEMSGJLGDN-UHFFFAOYSA-N 374.828 3.752 0 40 FHAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)NOCc1ccccc1 25038474 PUJWBXQFIMITSE-UHFFFAOYSA-N 366.465 3.810 0 40 FHAB Cc1nc(-c2ccccn2)sc1C(=O)NC[C@@H](c1ccsc1)N(C)C 25331151 FHSRLQVAQQOLKW-HNNXBMFYSA-N 372.519 3.608 0 40 FHAB CCn1c(=O)c(C)nc2cc(C(=O)Nc3cccc4c3CCCC4)ccc21 25721916 UCGQUQHCWPURLG-UHFFFAOYSA-N 361.445 3.856 0 40 FHAB C[C@@H](NC(=O)CN1CCCc2cc(F)cc(F)c21)c1ccc(F)cc1F 26726048 CCGLBGPGGNNZHL-LLVKDONJSA-N 366.358 3.873 0 40 FHAB CC1CCN(CCCNC(=O)c2ccc(COc3ccccc3)o2)CC1 28067286 KOWWTOGBURUULN-UHFFFAOYSA-N 356.466 3.710 0 40 FHAB Cc1ccc(CN(Cc2ccco2)C(=O)[C@@H]2COc3ccccc3O2)cc1 32594223 OLCJUBZCWYZCBI-NRFANRHFSA-N 363.413 3.957 0 40 FHAB O=C(CCCn1c(=O)oc2ccccc21)N(Cc1ccccc1F)C1CC1 32741309 BNAKAYBBPGJGHH-UHFFFAOYSA-N 368.408 3.705 0 40 FHAB CCOC(=O)[C@H]1CCCN(C(=O)/C=C/c2c(CC)oc3ccccc23)C1 32815026 YCAKHUGWFDSKDI-RUMSDORHSA-N 355.434 3.810 0 40 FHAB Cc1cc2occ(CC(=O)Nc3nc(CC(N)=O)cs3)c2cc1C(C)C 32882508 GTXIDPQFCVBESO-UHFFFAOYSA-N 371.462 3.530 0 40 FHAB COc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(F)c(F)c3)n2)cn1 35425836 YHTBXSCKSOICJZ-INIZCTEOSA-N 372.375 3.756 0 40 FHAB biogenic,in-vitro COC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(OC)cc2)cc1 36620943 YSQLQERADQYAPD-SFHVURJKSA-N 354.406 3.851 0 40 FHAB CCOc1ccccc1NC(=O)c1n[nH]nc1Nc1ccc(Cl)cc1 38652356 HVSRTGNUVHMPPR-UHFFFAOYSA-N 357.801 3.853 0 40 FHAB O=C(NCCSCc1ccco1)C1CCN(Cc2ccccc2)CC1 39755361 JFEKZCOAQFPOSQ-UHFFFAOYSA-N 358.507 3.541 0 40 FHAB O=C(NCCOc1ccc2ccccc2c1)C1C[C@@H]2CCC[C@H](C1)C2=O 39998494 NOMROUMSDWVXNN-DFNIBXOVSA-N 351.446 3.730 0 40 FHAB O=C(Cc1ccc(-n2cccc2)cc1)NCc1ccc(OC(F)F)cc1 40079607 JSWLCGNMOUOUEJ-UHFFFAOYSA-N 356.372 3.938 0 40 FHAB C[C@H]1CCCCN1Cc1ccccc1CNC(=O)c1cccnc1S 40112345 WZLUIFKYAOVPAA-HNNXBMFYSA-N 355.507 3.675 0 40 FHAB Cc1cnc(NC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)s1 40114759 QRCXRMUOBCDOAC-LBPRGKRZSA-N 358.492 3.916 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)c1ccccc1N(C)C(=O)C1CC1 40143269 YIUGKNSAZSULFS-MRXNPFEDSA-N 350.462 3.811 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 42646663 MPBPKVLIJDTZAV-CABZTGNLSA-N 362.779 3.992 0 40 FHAB Cc1nc(C2(NC(=O)COc3ccccc3C(C)(C)C)CCCC2)no1 42698222 XRWCBTLHVOSDLB-UHFFFAOYSA-N 357.454 3.640 0 40 FHAB O=C(c1ccc(Br)o1)N1CCC(Oc2ccccc2)CC1 44379317 RLIKUSZYSHYHAL-UHFFFAOYSA-N 350.212 3.726 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)N(C)c2nccs2)c(Br)c1 44504122 MRRXRABKRFJJIN-JTQLQIEISA-N 355.257 3.644 0 40 FHAB CCc1nc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(C)cc3)C2)sc1C 44732543 IQAXMWALEAZSNN-INIZCTEOSA-N 371.506 3.813 0 40 FHAB CS(=O)(=O)c1ccccc1NC(=O)N1CCCCC[C@@H]1c1ccncc1 45986848 IKIUZTSEUWJSAZ-QGZVFWFLSA-N 373.478 3.634 0 40 FHAB CC[C@@H]1CCc2nc(NC(=O)Cn3ccc(C(F)(F)F)n3)sc2C1 46783991 FQFRGKRGSKQZJR-SECBINFHSA-N 358.389 3.512 0 40 FHAB CN(Cc1ccc(F)cc1F)C(=O)c1ccc(OCc2nccn2C)cc1 47572726 BAEGKUFQKWPNFN-UHFFFAOYSA-N 371.387 3.550 0 40 FHAB COc1ccc(NC(=O)Cn2c(C)cc(-c3csc(C)n3)c2C)cn1 48254125 UZPJFKZXFMHHME-UHFFFAOYSA-N 356.451 3.579 0 40 FHAB CCC(CC)[C@@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)c1cccs1 56007835 ULHGPAQVNYVCOF-GOSISDBHSA-N 362.539 3.990 0 40 FHAB Fc1ccc(N2CCN(Cc3nnc(-c4ccccc4Cl)o3)CC2)cc1 57350882 SNHGMEXKJDIVQD-UHFFFAOYSA-N 372.831 3.851 0 40 FHAB O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)N1CCCCC1 57487282 WSOZXSGIVVHLPT-UHFFFAOYSA-N 370.840 3.871 0 40 FHAB CCCC[C@@H](c1nnnn1C(C)(C)C)N1CCN(c2ccccc2F)CC1 57669742 KERCTTKKZWYQRJ-SFHVURJKSA-N 374.508 3.621 0 40 FHAB CN(C)C(=O)c1cccc(CSc2nnc(-c3cccs3)n2C)c1 58202666 LIIUKTVUZSYYLR-UHFFFAOYSA-N 358.492 3.538 0 40 FHAB CCOc1cccc([C@@H](C)NC(=O)NCc2ccc(N3CCCC3)nc2)c1 58230106 JLHWBRHRHCKESY-MRXNPFEDSA-N 368.481 3.641 0 40 FHAB CCO[C@@H](c1ccc(Br)cc1)[C@H](NC)C(=O)c1ccccc1 61868581 HXBYRMFPYAGPJO-AEFFLSMTSA-N 362.267 3.998 0 40 FHAB O=C(Cc1nnc(-c2cccc(F)c2)o1)NCc1ccc(F)c(Cl)c1 62007248 MVPJSMBXPZQZLS-UHFFFAOYSA-N 363.751 3.527 0 40 FHAB COc1cc(-c2cc(-c3ccc(C)cc3)nc(N)n2)cc(OC)c1OC 71977870 CZAFUFGWZLRJOC-UHFFFAOYSA-N 351.406 3.727 0 40 FHAB CC(C)Cn1c(SCC(=O)Nc2cccnc2)nnc1-c1ccccc1 72191584 YUECFGCDMXVREW-UHFFFAOYSA-N 367.478 3.727 0 40 FHAB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(C)cc2C)CC1 72331345 RTUYNFNHTDWJHS-UHFFFAOYSA-N 358.869 3.928 0 40 FHAB CC(C)c1nc2cc(NC(=O)C[C@@H]3NC(=O)c4ccccc43)ccc2n1C 72403843 JIIMZQZJNUMXJQ-INIZCTEOSA-N 362.433 3.510 0 40 FHAB COc1ccc(-c2c3cnn(C(C)C)c3nc3[nH]c(=O)sc23)cc1OC 72404230 IICMAIKPECDMNZ-UHFFFAOYSA-N 370.434 3.599 0 40 FHAB Cc1cnc(CNC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)s1 75096459 YICJDAJUGYMWSB-ZDUSSCGKSA-N 364.902 3.573 0 40 FHAB Cc1ccc(-c2nc(C)c(C(=O)N3CCCC[C@@H]3c3ncon3)s2)o1 89656162 QAUKGBKPRCSUTL-GFCCVEGCSA-N 358.423 3.770 0 40 FHAB Cc1ccccc1C(=O)N1CC[C@@H](N(C(=O)c2ccccc2C)C2CC2)C1 89689108 TTZREGDLSYPREK-LJQANCHMSA-N 362.473 3.823 0 40 FHAB CCc1ccc(OCC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1 95408973 WZLFMAPFGQJNFV-WIYYLYMNSA-N 366.505 3.797 0 40 FHAB Cc1nccn1CCCCOC(=O)c1ccc(F)cc1Br 95454640 YOASRFZVTPRMSY-UHFFFAOYSA-N 355.207 3.730 0 40 FHAB CC(C)CN1C(=O)[C@@]2(CCN(Cc3ccc(F)cc3)C2)c2ccccc21 96100308 DJIHMLHSAJCCLO-JOCHJYFZSA-N 352.453 3.972 0 40 FHAB Cc1nc(CN2CC[C@]3(CCCN(Cc4c(C)noc4C)C3)C2)cs1 96215987 LYXZCBLGJWQMFO-IBGZPJMESA-N 360.527 3.544 0 40 FHAB O=C(NC1CCN(c2cc(-c3cccs3)n[nH]2)CC1)c1ccccc1F 98212811 PZZUXDWMRTUDQB-UHFFFAOYSA-N 370.453 3.676 0 40 FHAB CCCCn1c(=O)c(C(=O)NCc2ccc(C)cc2)c(O)c2ccccc21 100621151 UHSIUWFYSGUUBT-UHFFFAOYSA-N 364.445 3.746 0 40 FHAB CCc1ccc(NC(=O)NC[C@H]2CCN(c3cccc(OC)c3)C2)cc1 102523468 SZWHIIKPCFUNOV-QGZVFWFLSA-N 353.466 3.906 0 40 FHAB Cc1ccc(C(=O)Nc2ccc(I)cn2)cc1Cl 105867152 ZJYLONFNYJNTIP-UHFFFAOYSA-N 372.593 3.900 0 40 FHAB C[C@@H](NC(=O)COC(=O)c1ccc2ccccc2c1O)[C@H]1C[C@H]2CC[C@H]1C2 107324515 QPGHMXIDOBOKSN-PGSNGQOISA-N 367.445 3.643 0 40 FHAB COc1ccccc1NC(=O)c1cc(Br)c(OC)c(OC)c1 107719569 AHWAHKDEHVVMBW-UHFFFAOYSA-N 366.211 3.727 0 40 FHAB CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC)c1ccc(OC)cc1 223635648 NZUGRBIRGXUPAH-OAHLLOKOSA-N 369.870 3.787 0 40 FHAB CCc1ccc(OCCNC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 223829152 XOYKQNHBMRDXES-UHFFFAOYSA-N 374.440 3.558 0 40 FHAB CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(Cl)cc1 224706033 UFIZWQAMZBIJDS-UHFFFAOYSA-N 355.843 3.572 0 40 FHAB Oc1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc[nH]1 224859811 XJBPTTKFMYUWKA-IRXDYDNUSA-N 370.865 3.946 0 40 FHAB COC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl 225145719 HFSKTIAQRQMDRV-UHFFFAOYSA-N 374.245 3.605 0 40 FHAB COc1ccc(CCC(=O)Nc2nnc(SCC(C)C)s2)cc1 225319552 VVFCKMCTUFNDAK-UHFFFAOYSA-N 351.497 3.866 0 40 FHAB Cc1cccc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)c1 225594801 QFJAPCMQCMIAJZ-KRWDZBQOSA-N 370.468 3.619 0 40 FHAB CCCO[C@@](C)(C(=O)Nc1ccc(OCCN2CCCC2)cc1)C1CC1 225671780 GKESHVUWSYLWIX-OAQYLSRUSA-N 360.498 3.695 0 40 FHAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC)c(C(=O)OC)c1 225845525 GFDHXXJGLZEKQK-LJQANCHMSA-N 351.443 3.796 0 40 FHAB COC[C@H]1CN(Cc2ccco2)CC12CCN(Cc1ccccc1F)CC2 247841225 LAFYASKUKSDDGU-LJQANCHMSA-N 372.484 3.779 0 40 FHAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N(C)C)[C@H]1c1cccs1 257173723 VQEPTPBLFZKNJB-ZWKOTPCHSA-N 356.491 3.773 0 40 FHAB Cn1cc(-c2ccc(OCCCC(=O)NCc3cccs3)cc2)cn1 257173858 ZMNNWHLCGLNBLB-UHFFFAOYSA-N 355.463 3.624 0 40 FHAB CN(C)c1ncc(-c2cccc(C(F)(F)F)c2)c([C@H]2CCCNC2)n1 257207626 BINRWFNOTWHGIG-ZDUSSCGKSA-N 350.388 3.695 0 40 FHAB Cc1ncsc1C(=O)N1CC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257322235 WFDCGYYISIFLER-CQSZACIVSA-N 371.437 3.799 0 40 FHAB CCCn1nccc1-c1cncc([C@@H]2CCCN(C(=O)C(C)(C)C)C2)n1 257328508 XFXKXCVXSMCETE-OAHLLOKOSA-N 355.486 3.502 0 40 FHAB COc1ccc(NC(=S)NCCCN2c3ccccc3C[C@H]2C)cc1 260732736 AOQVNABWVPLKII-OAHLLOKOSA-N 355.507 3.823 0 40 FHAB COc1ccc(/C=C2\S[C](Nc3ccccc3F)NC2=O)c(OC)c1 408803160 LWGYRYVIYPTTBZ-UHFFFAOYSA-N 359.402 3.606 0 40 FHAB CCOc1ccc(/C=C2/SC(=O)N(CCCOC)C2=O)c(OCC)c1 409243571 SQLFRZUSWJGYTO-LFIBNONCSA-N 365.451 3.557 0 40 FHAB Cn1c(C[C@H]2CN(CC(C)(C)C)CC[C@H]2CC(=O)O)nc2ccccc21 514290152 UPOPLCYWYYVQMV-HOTGVXAUSA-N 357.498 3.575 0 40 FHAB biogenic,in-vitro CN(C)c1ccncc1C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 546082028 HIGXAHDBJZOYRC-NRFANRHFSA-N 357.457 3.936 0 40 FHAB CSCC[C@@H](C(=O)N[C@H](C)c1nc2ccccc2n1C)n1cccc1 575443058 FLWGZTLFEGEPBQ-PBHICJAKSA-N 356.495 3.546 0 40 FHAB O=C(Nc1nc([C@H]2CCCN2)cs1)c1ccc(Br)cc1 585266503 AORMVLHBHKPNDW-LLVKDONJSA-N 352.257 3.582 0 40 FHAB C[C@H]1CN(C(=O)Cc2nnc(-c3ccccc3)o2)CCc2ccc(F)cc21 633582289 LMBQGGCACSPBFL-AWEZNQCLSA-N 365.408 3.607 0 40 FHAB CN(C)[C@H]1CCCC[C@@H]1NC(=S)Nc1c(F)c(F)c(F)c(F)c1F 1198926185 AGKAFOPEHJFQHE-YUMQZZPRSA-N 367.387 3.541 0 40 FHAB C=CC(=O)Nc1cccc(C(=O)N[C@@H]2CCCOc3ccc(F)cc32)c1 1543809904 RIHNBCUBNVGMRS-QGZVFWFLSA-N 354.381 3.594 0 40 FHAB O=C(N[C@H]1C[C@H]1Nc1nc(C(F)(F)F)nc2ccccc12)c1ccccc1 1775988477 HPZYSGBPNNKULF-CABCVRRESA-N 372.350 3.631 0 40 FHAB C[C@@H]1Oc2ccc(C(=O)Nc3ccc(C4(C(=O)O)CC4)cc3)cc2[C@@H]1C 1776669576 MLGWLNBKPJYWRM-OLZOCXBDSA-N 351.402 3.940 0 40 FHAB CN(c1ncccc1C(F)(F)F)[C@@H]1CCCN(C(=O)c2ccsc2)C1 1889139113 VXKDVZVQWBJPOK-CYBMUJFWSA-N 369.412 3.903 0 40 FHAB O=C(CC1=CCCCC1)N1CCO[C@]2(CCCN(c3cccc(F)c3)C2)C1 2055822726 RESFYHKKBCKQMM-QFIPXVFZSA-N 372.484 3.914 0 40 FHAB Cc1cc(C)cc(OCC(=O)N2N=C(C(F)(F)F)C[C@]2(O)C(C)(C)C)c1 910657 OUPSMYKYXZIEPS-KRWDZBQOSA-N 372.387 3.568 0 40 FHAB Clc1ccc(Cn2ncc3c(NCc4cccnc4)ncnc32)cc1 1132280 PTDOGUKLBPGEGZ-UHFFFAOYSA-N 350.813 3.535 0 40 FHAB O=S(=O)(NCC[C@H](c1ccc(F)cc1)c1ccco1)c1ccccc1 1251783 SAMQDOBRDGVNQR-GOSISDBHSA-N 359.422 3.919 0 40 FHAB O=C(COC(=O)c1ccccc1Br)Nc1cccc(Cl)c1 1972549 OSOJBCVRAAUPHH-UHFFFAOYSA-N 368.614 3.898 0 40 FHAB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1ccccc1C 2325954 LTAFZZFRSTYWBR-IBGZPJMESA-N 360.417 3.576 0 40 FHAB C[C@H](OC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1)C(N)=O 2649643 XLFWBKNZABMPCW-JTQLQIEISA-N 366.389 3.776 0 40 FHAB COc1ccc2oc(=O)c(S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1 2686654 OHKRLMCJRQJZCM-UHFFFAOYSA-N 372.442 3.932 0 40 FHAB COc1ccc(OCC(=O)Nc2ccc(Br)c(C)c2)cc1 2774523 VTVCUOXBKWXFCA-UHFFFAOYSA-N 350.212 3.784 0 40 FHAB CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 3035109 BODQAAOPFMKZHK-KRWDZBQOSA-N 356.809 3.668 0 40 FHAB CCOc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)cc1OCC 3252251 OQHWQOGALKLHSJ-OAHLLOKOSA-N 371.433 3.518 0 40 FHAB COc1ccc(C(=O)N2CCc3cc4c(cc3[C@H]2C)OCCCO4)cc1 4090166 CEJHFPRKGBXNCT-CQSZACIVSA-N 353.418 3.616 0 40 FHAB biogenic C[C@H](Sc1nc(-c2ccccc2)cn1N)C(=O)Nc1ccc(F)cc1 4251924 PQGUUOCBCUCPAW-LBPRGKRZSA-N 356.426 3.522 0 40 FHAB CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(N(C)C)cc1)C2 4413716 CUQUSXDPGMLORZ-HNNXBMFYSA-N 354.450 3.869 0 40 FHAB COc1cc(S(=O)(=O)Nc2c(C)cccc2C)c(OC)cc1Cl 4727582 NGAPLVYRFXKXDL-UHFFFAOYSA-N 355.843 3.775 0 40 FHAB Cc1cc(NC(=O)Cc2ccccc2)c(=O)n(Cc2ccccc2F)c1 5000858 CGYUYBLSZFUGQI-UHFFFAOYSA-N 350.393 3.525 0 40 FHAB CC(C)(C)c1ccc(C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cc1 5075889 KHPRMXNAHFDALW-UHFFFAOYSA-N 372.490 3.776 0 40 FHAB CN(C)C(=O)[C@@H](Sc1nccn1-c1cccc(F)c1)c1ccccc1 5185686 PYEXTPILABJZCO-KRWDZBQOSA-N 355.438 3.933 0 40 FHAB CCc1ccc(C(=O)CSc2nnnn2-c2ccc(C)cc2C)cc1 5414243 BSQRDASQEXGTNK-UHFFFAOYSA-N 352.463 3.817 0 40 FHAB O=C(c1cccc(C(F)(F)F)c1)n1nccc1-c1ccc2c(c1)OCO2 5891721 HJLHBWBNXRQULM-UHFFFAOYSA-N 360.291 3.986 0 40 FHAB COc1ccc(CNC(=O)[C@H](C)Sc2nc3ccc(C)cc3[nH]2)cc1 5927806 GSCNHPUUCAGZPI-ZDUSSCGKSA-N 355.463 3.677 0 40 FHAB C[C@H](Sc1nnc(-c2cccs2)o1)C(=O)NCC1CCCCC1 5937892 NFYAYSJKLLHAKO-NSHDSACASA-N 351.497 3.975 0 40 FHAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCc1cccc2ccccc12 6179862 LVXOHFLCHURFPQ-STZFKDTASA-N 370.412 3.876 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1 6525480 PFXOVTOAILPSGU-XJKSGUPXSA-N 365.857 3.541 0 40 FHAB CCN1CCC[C@H]1CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 6881871 ASCRJOBFBPUMGA-FQEVSTJZSA-N 374.488 3.753 0 40 FHAB Cc1cc(C)nc(NC2=N[C@H]3CCCC[C@@H]3N2C(=O)Nc2ccccc2)n1 6922193 CXVWRNKFISPFTL-IRXDYDNUSA-N 364.453 3.720 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccccc2C)cc1Br 7052929 ADQILNOCNPSGAH-UHFFFAOYSA-N 356.241 3.567 0 40 FHAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(F)cc1F 7525079 HQBMWDRUYBUGAG-UHFFFAOYSA-N 362.420 3.626 0 40 FHAB O=C(CSc1nnc(-c2ccncc2)n1C1CC1)c1ccc(F)cc1 7616746 KHXQBXAULSMBBD-UHFFFAOYSA-N 354.410 3.789 0 40 FHAB COc1ccc(C)cc1CN1C(=O)N[C@@](C)(c2ccccc2Cl)C1=O 7827320 YVVGMGOGFYCUHD-IBGZPJMESA-N 358.825 3.624 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)c2ccc3c(c2)OCCCO3)o1 8277183 SPCVUXGJRYMATI-UHFFFAOYSA-N 372.402 3.774 0 40 FHAB COc1cc(CN[C@@H](C)c2ccccc2)ccc1OCC(=O)NC(C)(C)C 8534245 GPKJDEBNZXWVEQ-INIZCTEOSA-N 370.493 3.840 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(N3CCCC3)n2C2CC2)cc1C 8705554 WUHLCQSYRWIUFW-UHFFFAOYSA-N 371.510 3.561 0 40 FHAB O=C(O)[C@H]1CC(=O)N(c2ccc(OCc3cccc4ccccc34)cc2)C1 8732493 GNTWOOLHEMHLGB-KRWDZBQOSA-N 361.397 3.856 0 40 FHAB Cc1ccccc1[C@@H](C)NC(=O)Cc1csc(NC(=O)c2ccco2)n1 8776827 WGJABOJKXDTFEO-CYBMUJFWSA-N 369.446 3.717 0 40 FHAB CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(F)c(F)c3)cc21 8959390 FUFOLECHGUEVFL-UHFFFAOYSA-N 360.360 3.599 0 40 FHAB Cn1c(CNC(=O)COc2cc(Cl)ccc2Cl)nc2ccccc21 9219989 YWKJJDCIRMYZRM-UHFFFAOYSA-N 364.232 3.575 0 40 FHAB CCOc1ccccc1C(=O)NCCc1ccc(Br)s1 9389796 GMCAGHRLXNTDIM-UHFFFAOYSA-N 354.269 3.882 0 40 FHAB CN(C)[C@@H](CNc1ncnc2c1cnn2-c1ccccc1)c1ccccc1 9513525 JJGBOKNBQZQSKO-IBGZPJMESA-N 358.449 3.530 0 40 FHAB CCOC(=O)c1c2c3c(c(Cl)ccc3[nH]c1=O)C(=O)c1ccccc1-2 11363994 CELQOEJPNANKNS-UHFFFAOYSA-N 353.761 3.570 0 40 FHAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)CCn2ccc(C)n2)n1 12227355 CJHDCRDNJGQKGQ-OAHLLOKOSA-N 360.508 3.508 0 40 FHAB COc1ccccc1N1CCN(CC[C@@H]2CCc3ccccc3C2=O)CC1 12356227 PJOARVZMKMVACL-IBGZPJMESA-N 364.489 3.653 0 40 FHAB CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc2nccnc2c1 12391975 ROOHIRKVIBMQMZ-LJQANCHMSA-N 350.809 3.981 0 40 FHAB COc1ccccc1CCC(=O)N1CCN(c2cccc(Cl)c2)CC1 12542362 OGHZECSIGFGNEV-UHFFFAOYSA-N 358.869 3.630 0 40 FHAB CN(Cc1ccccc1N1CCCCC1)S(=O)(=O)c1ccccc1F 12607640 ZATOOZHHZLWNQY-UHFFFAOYSA-N 362.470 3.637 0 40 FHAB Cc1ccc2nc(C)c(C(=O)N3CCN(c4ccccc4F)CC3)cc2c1 12609559 KPFFSEBJZDUUPR-UHFFFAOYSA-N 363.436 3.953 0 40 FHAB CCOc1cccc(/C=C2\NC(=S)N(c3cccc(Cl)c3)C2=O)c1O 12692226 FQQZDVQKJCRWBW-ZROIWOOFSA-N 374.849 3.707 0 40 FHAB CCOc1ccc(CC(=O)OCc2nnc(-c3ccc(F)cc3)o2)cc1 12734135 GTWBUGADSWZOHE-UHFFFAOYSA-N 356.353 3.560 0 40 FHAB COc1ccc(OC)c2c1CN(c1cc(C)nc3ccccc13)C[C@H]2O 12753832 HGMPWKBENOGLRV-GOSISDBHSA-N 350.418 3.614 0 40 FHAB Cc1ccc(-c2cc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)[nH]n2)cc1 12830234 NLPIZPBNAKHTPB-UHFFFAOYSA-N 371.444 3.843 0 40 FHAB C[C@H](C(=O)Nc1ccc(F)cc1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12878497 GXTXENCFAPEGQS-HZPDHXFCSA-N 369.440 3.503 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)c1 12903453 RJOYCKFFCMEEDX-MRXNPFEDSA-N 356.447 3.584 0 40 FHAB COc1ccc([C@@H](CNC(=O)Nc2ccccc2F)N2CCCC2)cc1 12977075 IAFXCSRSBCEUIS-LJQANCHMSA-N 357.429 3.793 0 40 FHAB Cc1ccc(NC(=O)CN(C)C(=O)c2cc3cc(C)ccc3nc2C)cc1 12995826 ABBNHHYARBIIRG-UHFFFAOYSA-N 361.445 3.871 0 40 FHAB CCCCCn1c(O)c(C(=O)Nc2cccnc2)c(=O)c2ccccc21 13216964 AKFXYCJLNBZLCT-UHFFFAOYSA-N 351.406 3.545 0 40 FHAB COc1ccccc1-c1c(C)nn2c3c(nnc12)C(=O)C[C@H](c1ccco1)C3 13639311 OXYOFBSKNKFOEN-CYBMUJFWSA-N 374.400 3.614 0 40 FHAB O=C(Nc1ccnc(Cl)c1)C(=O)NC(c1ccccc1)c1ccccc1 13692831 PFUKGPFEDZLJEG-UHFFFAOYSA-N 365.820 3.579 0 40 FHAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 14012200 BYONAQZYGAWMOM-UHFFFAOYSA-N 364.401 3.861 0 40 FHAB COc1cc2c(cc1/C=C/C(=O)Nc1cccc(C(C)=O)c1)O[C@H](C)C2 14158352 JETHIBJMZYQTLP-SBDDDAINSA-N 351.402 3.873 0 40 FHAB CCN1CCc2nc3ccccc3c(C(=O)NCc3ccccc3F)c2C1 14789965 HXMDARGOAXKMLO-UHFFFAOYSA-N 363.436 3.682 0 40 FHAB O=C(Cc1csc(NC(=O)c2cccs2)n1)Nc1ccccc1F 15422602 SNMGPMCUBAFPTH-UHFFFAOYSA-N 361.423 3.777 0 40 FHAB C[C@H](OC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)NC(C)(C)C 16320644 DCBCMRVMYQOANR-ZDUSSCGKSA-N 361.413 3.865 0 40 FHAB O=C(NCCc1c[nH]c2ccccc12)C1(c2ccc(F)cc2)CCOCC1 16986090 HFKPGPPKUILYHO-UHFFFAOYSA-N 366.436 3.714 0 40 FHAB Oc1cc(-c2cnccn2)nc2cc(-c3ccc(Cl)cc3Cl)nn12 19293023 QZJBAKUFMIDURK-UHFFFAOYSA-N 358.188 3.866 0 40 FHAB O=C(NC1CCN(C[C@@H](c2ccccc2)C2CCCC2)CC1)[C@H]1CCCO1 19369203 LELXOLLQAHEFQB-FCHUYYIVSA-N 370.537 3.720 0 40 FHAB C[C@@H]1CCC2=NN(C(=O)c3ccc(Cl)cc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 20034110 VHDNLZPAGIEZFC-BCQZVRRWSA-N 360.763 3.839 0 40 FHAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCC[C@@H](C)C1 21555468 FXQXMDHJUGINQT-GBCUEWQUSA-N 360.542 3.602 0 40 FHAB COCCc1ccc(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 21821346 VDLDXYUDDPWJSV-UHFFFAOYSA-N 361.246 3.950 0 40 FHAB COC(=O)c1ccoc1COC(=O)c1c2c(nc3ccccc13)CCCC2 22414582 AJPBRJGCGKVILW-UHFFFAOYSA-N 365.385 3.850 0 40 FHAB CC(=O)Nc1nc(CSc2nncn2-c2ccc(C)cc2C)cs1 24952234 MIRASVLXRIVONR-UHFFFAOYSA-N 359.480 3.591 0 40 FHAB CN(C(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1 25683390 UJYNYWUUUUQDKU-UHFFFAOYSA-N 372.471 3.826 0 40 FHAB Cc1ccc(SCC(=O)N(C)Cc2nc(-c3cccs3)no2)cc1 28188954 VBYLMMUPPBSLBG-UHFFFAOYSA-N 359.476 3.857 0 40 FHAB CC(C)C[C@H](C)N(C)C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 31411048 FEYKBYMOVCJKPF-KRWDZBQOSA-N 352.478 3.976 0 40 FHAB Cc1ccc(OCCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c(C)c1 32456933 JETSSEQCOJNDFG-UHFFFAOYSA-N 366.461 3.947 0 40 FHAB O=C(NCCc1ccccn1)c1cc(-c2cccs2)nn1-c1ccccc1 32657039 OYUDXPNGIRQDND-UHFFFAOYSA-N 374.469 3.968 0 40 FHAB O=C(CCCn1c(=O)oc2ccccc21)N(Cc1ccc(F)cc1)C1CC1 32744769 IJGJUZAUKZTYTR-UHFFFAOYSA-N 368.408 3.705 0 40 FHAB Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 32910621 HSQKEOJSRHYZKY-JZXOWHBKSA-N 359.466 3.585 0 40 FHAB O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1ccc2c(c1)OCCO2 33474686 ISZTXSILIDFTOH-LCYFTJDESA-N 366.804 3.765 0 40 FHAB O=C1C[C@H](c2ccc(C(=O)O)cc2)c2ncn(-c3cccc(Cl)c3)c2N1 36354097 KDZNANVEPBTBBE-OAHLLOKOSA-N 367.792 3.698 0 40 FHAB COc1cccc(-c2cc(C(=O)O)n3nc(-c4ccc(F)cc4)cc3n2)c1 36615699 XWKPWXFCUAODQY-UHFFFAOYSA-N 363.348 3.909 0 40 FHAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2C)cc1OC 36620662 VHPGCTMCRMUCJH-KRWDZBQOSA-N 361.463 3.538 0 40 FHAB CC[C@@H](NCc1cnc(N2CCC[C@H](C)C2)nc1)c1ccc(OC)cc1 36744069 AJVHYBRQVYBPGB-OXJNMPFZSA-N 354.498 3.962 0 40 FHAB Cc1cccc(CCC(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)c1 40080320 DDUIMUYLJTTZHY-GOSISDBHSA-N 352.482 3.609 0 40 FHAB C[C@@H](NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1ccncc1 40141029 GFTRDJIMKOZBJM-GFCCVEGCSA-N 368.387 3.525 0 40 FHAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1cc(C2CC2)on1 43939704 UXHXDTHCKOVZJQ-UHFFFAOYSA-N 370.409 3.876 0 40 FHAB CC(C)c1nnc(C2CCN(C(=O)c3ccc4ncsc4c3)CC2)o1 44098505 IISGGMUZTVGTOT-UHFFFAOYSA-N 356.451 3.823 0 40 FHAB COCc1ccccc1NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 47521035 GVPYOJMYWYJGQV-UHFFFAOYSA-N 371.456 3.758 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)COc2ccccc2F)cc1OC 48286151 JVJKLQFTOAFDIY-INIZCTEOSA-N 359.397 3.585 0 40 FHAB CCSCCC(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 48343041 SPCICGWPVSUKJY-UHFFFAOYSA-N 364.492 3.569 0 40 FHAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1COc2ccccc2O1 49940775 QWGDSBJTEHTCKI-MRXNPFEDSA-N 351.324 3.504 0 40 FHAB C[C@@H](Nc1ncnc2ccccc12)c1ccc(N2CCN(C)CC2)c(F)c1 57140169 DKZLKFFHAIBPRK-OAHLLOKOSA-N 365.456 3.694 0 40 FHAB CCCN(Cc1noc(-c2cccs2)n1)C[C@H]1COc2ccccc2O1 58413952 YMBLXAACMYCARB-AWEZNQCLSA-N 371.462 3.850 0 40 FHAB CC1CCC(NC(=O)[C@H](C)n2c(S)nnc2-c2cccs2)CC1 58417653 UFVLWIJXRNVURW-CXQJBGSLSA-N 350.513 3.551 0 40 FHAB CC(C)(C)C(=O)N1CCN(C(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)CC1 58724940 KGNKNAQJXRYLHA-UHFFFAOYSA-N 369.509 3.796 0 40 FHAB CCOc1ccc(C(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1OCC 59018162 PXMODOBJRDSWGB-IRXDYDNUSA-N 362.514 3.582 0 40 FHAB COC(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@@H](Cc2ccc(C)cc2)C1 60268518 MDYFKKPBYSSYBL-RBUKOAKNSA-N 360.498 3.547 0 40 FHAB C[C@]1(c2ccc(Cl)s2)NC(=O)N(Cc2cccc(F)c2F)C1=O 60374827 GIYOKNXCAKGDEZ-OAHLLOKOSA-N 356.781 3.647 0 40 FHAB COc1ccccc1C1(CNC(=O)NCc2c(C)noc2C)CCCC1 63200794 KWRQLSPKOIVDTN-UHFFFAOYSA-N 357.454 3.611 0 40 FHAB CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccccc2Br)C1 67801144 PXVYFGOCAJEVSE-ZDUSSCGKSA-N 355.276 3.548 0 40 FHAB Cc1cc(N2CCc3ccccc3C2)ncc1CNC(=O)OC(C)(C)C 72223886 WCMGHPHFLNPBSO-UHFFFAOYSA-N 353.466 3.977 0 40 FHAB COc1ccc(-c2nc(Cn3c(C(F)(F)F)csc3=O)co2)cc1 72307027 LHHJCLOVOAHOSW-UHFFFAOYSA-N 356.325 3.641 0 40 FHAB COc1ccc(CN2CCC[C@@H](c3cccc(-n4ccnc4C)n3)C2)cc1 72379119 ZQCWNXUUQIQYMY-LJQANCHMSA-N 362.477 3.964 0 40 FHAB CN(C)[C@H](CNC(=O)/C=C/c1ccsc1)c1cn(C)c2ccccc12 75149192 PQYZMRPOMOSJTF-CSHXORCISA-N 353.491 3.672 0 40 FHAB Cc1cccc(NC(=O)N(Cc2ccccc2)[C@H](C)CN2CCOCC2)c1 75582653 MJIVDEHQIWESNI-LJQANCHMSA-N 367.493 3.750 0 40 FHAB CCCC(=O)N1CCCC[C@@H]1C(=O)NC[C@H](C)c1nc2ccccc2s1 78714087 SIQGPEGCIYNGQV-GOEBONIOSA-N 373.522 3.697 0 40 FHAB CCc1n[nH]c(SCC[S@](=O)c2cc(Cl)ccc2Cl)n1 78943628 KLXXWUSMDCCHPA-HXUWFJFHSA-N 350.296 3.574 0 40 FHAB COc1cccc([C@@H](O)CN2CCN(C3CCC(C(C)C)CC3)CC2)c1 84680420 WEAZBZDXCODMSK-ZNIKRAEXSA-N 360.542 3.561 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(Oc2ccccn2)CC1 90607492 VKPLOFQJPQYDEN-UHFFFAOYSA-N 374.868 3.962 0 40 FHAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)Cc1nccn1C 95469034 BMXBYXQYZUUHLB-UHFFFAOYSA-N 357.889 3.567 0 40 FHAB CC(C)N(C(=O)c1cc(F)c(F)cc1I)C(C)C 95966077 BMIZJTKDVNOMDR-UHFFFAOYSA-N 367.177 3.828 0 40 FHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2ccc(N(C)C)cn2)c1 96013116 YEBDIKFTEPYAOT-KRWDZBQOSA-N 370.453 3.534 0 40 FHAB O=C(CC1=CCCCC1)N1CCC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 96207848 WQJWZAQWLCDVDY-CTNGQTDRSA-N 356.466 3.501 0 40 FHAB O=C(Nc1cccnc1)[C@@H]1C[C@]12CCN(C(=O)Nc1ccc(Cl)cc1)C2 96226846 ZBKYFJLLRAAIBF-LPHOPBHVSA-N 370.840 3.618 0 40 FHAB Cc1ccc(-c2nc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)sc2C)cc1 102206849 MNIUQIMUATZZEH-VGWMRTNUSA-N 368.458 3.888 0 40 FHAB CCn1c(-c2ccccc2)cs/c1=N/c1ccc(S(=O)(=O)O)cc1 102558309 BVQGWRSKFRSMFC-ISLYRVAYSA-N 360.460 3.716 0 40 FHAB c1coc(-c2nc(NCc3ccc4c(c3)OCO4)ncc2-c2cnccn2)c1 105743490 AVPRQQCDTRUGLT-UHFFFAOYSA-N 373.372 3.534 0 40 FHAB O=C(NCC1(N2CCOCC2)CCCCC1)Nc1ccsc1Cl 189417581 QWOMYSXNSRWNFP-UHFFFAOYSA-N 357.907 3.558 0 40 FHAB Cc1cc(OCC(=O)NCCc2ccccc2)cc(C)c1Br 218831698 ASUBVFZOFCCKTC-UHFFFAOYSA-N 362.267 3.804 0 40 FHAB CCN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc2ccccc2c1 225065174 ZTTOPOXWJGTOOW-UHFFFAOYSA-N 369.442 3.842 0 40 FHAB COc1cc(C)c(S(=O)(=O)NCc2cccc(OC(C)C)c2)c(C)c1 225132603 FWKIOSVINXGIFB-UHFFFAOYSA-N 363.479 3.578 0 40 FHAB O=C(NC[C@]1(O)CCOc2ccccc21)c1ccc(-c2ccsc2)cc1 225622068 WIAXWWXQPXJXQC-OAQYLSRUSA-N 365.454 3.815 0 40 FHAB COc1ccc(C(=O)Nc2cccc([C@@H](C)O)c2)cc1Br 226274613 FJGWIHYSVQUWSI-SNVBAGLBSA-N 350.212 3.763 0 40 FHAB CO[C@@H](CNC(=O)c1cc2ccccc2oc1=O)c1cc2ccccc2o1 240002202 POTIGYBAXHEWTR-IBGZPJMESA-N 363.369 3.657 0 40 FHAB CN(C)c1nc([C@@H]2CCCCN2C(=O)c2ccccc2F)cn2cccc12 257237896 HISSQWPKBHOVOQ-SFHVURJKSA-N 366.440 3.907 0 40 FHAB Cc1ccc2c(c1)[C@H](CCO)O[C@H]([C@H](C)c1cc(O)c(C)c(=O)o1)[C@H]2C 514288044 KYRDITCXPNFIBT-CVFBZQACSA-N 358.434 3.692 0 40 FHAB biogenic,in-vitro Cn1cc([C@@H]2CN(C(=O)c3ccc4[nH]ccc4c3)Cc3ccccc32)cn1 585409611 QVYNONCXCMILJU-FQEVSTJZSA-N 356.429 3.689 0 40 FHAB O=C(NCCc1cccc(-c2ccccc2)c1)N1C[C@H]2CC[C@H]1[C@@H](CO)C2 664434071 WTEHJIKHAGJMGM-BWAGFHJFSA-N 364.489 3.699 0 40 FHAB C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1cn2ccccc2n1 674327137 QNNKMNYMDALVSP-DJJJIMSYSA-N 352.413 3.596 0 40 FHAB Cc1nc(CN2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)co1 1206068237 QKLOYZDATOVPHH-UHFFFAOYSA-N 356.344 3.925 0 40 FHAB C[C@H](NC(=O)C(=O)NCc1cc(-c2ccco2)cs1)c1ccccc1 1775968854 NOTGCUGLFFASBY-ZDUSSCGKSA-N 354.431 3.502 0 40 FHAB CSc1ccccc1C(=O)N1CC(Oc2ccnc(C(F)(F)F)c2)C1 1775974292 WAZSUWBQIIQGKU-UHFFFAOYSA-N 368.380 3.726 0 40 FHAB COc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1 8916007 WTUGQOVLIUKHMJ-AWEZNQCLSA-N 367.405 3.768 0 40 FHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCCC2(C)C)cc1 77353969 BJJBSJYBTYFYIU-UHFFFAOYSA-N 361.445 3.709 0 40 FHAB O=C(NCCNc1ncnc2ccsc12)c1ccc(C(F)(F)F)cc1 22957019 WMNAJONHIREXNO-UHFFFAOYSA-N 366.368 3.552 0 40 FHAB CC(=O)N(c1cccc(C)c1)[C@@H]1SC(=O)N(c2cccc(C)c2)C1=O 3196572 XVLWRESRAIDUFT-GOSISDBHSA-N 354.431 3.882 0 40 FHAB O=C1COc2ccc(C(=O)COc3ccc(Cl)cc3Cl)cc2N1 3564391 OIRURMLLZFANFM-UHFFFAOYSA-N 352.173 3.586 0 40 FHAB CCOC(=O)c1sc2ncn3c(-c4cccc(C)c4)nnc3c2c1C 957817 SGGPJPYUROKJTO-UHFFFAOYSA-N 352.419 3.800 0 40 FHAB O=C(Nc1cc2c3c(c1)CC(=O)N3CCC2)c1ccccc1C(F)(F)F 4850512 UMUVXMXMQCKRKK-UHFFFAOYSA-N 360.335 3.793 0 40 FHAB CN(CCN(C)C(=S)Nc1ccccc1)C(=S)Nc1ccccc1 6027100 LTJLSCFBVFUNNI-UHFFFAOYSA-N 358.536 3.644 0 40 FHAB O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)c1ccc2c(c1)CCC2 6087741 UKHZVORDIGKMJG-UHFFFAOYSA-N 364.470 3.708 0 40 FHAB Cc1nc(NC(=O)CCn2ccc3ccccc32)sc1-c1nccn1C 23874358 ZWZRIEKZXVEPOP-UHFFFAOYSA-N 365.462 3.836 0 40 FHAB CCN(CCNC(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 6654770 MAPBHUFPYCIWOT-UHFFFAOYSA-N 365.260 3.886 0 40 FHAB COc1cccc(NC(=O)[C@H](C)OC(=O)Cc2c(F)cccc2Cl)c1 7107889 LMMLYVTVYDASBU-NSHDSACASA-N 365.788 3.601 0 40 FHAB C[C@H]1C[C@H](C)CN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 8944529 KTFAQCRYKCNWHQ-GJZGRUSLSA-N 362.901 3.697 0 40 FHAB COc1cccc(/C=C/C(=O)OCC(=O)c2cc3ccccc3o2)c1OC 3239891 GFUHFCFPBNGVAK-ZHACJKMWSA-N 366.369 3.889 0 40 FHAB C[C@@H](c1nc(-c2ccco2)no1)N1CCC(C(=O)c2ccccc2)CC1 25946842 JUADOSCLYNNPRF-AWEZNQCLSA-N 351.406 3.986 0 40 FHAB Cn1cc(C(=O)OCc2ccc(C(=O)N3CCCC3)cc2)c2ccccc21 26206632 GTMJETXYMLQCCW-UHFFFAOYSA-N 362.429 3.771 0 40 FHAB CCc1cccc(NC(=O)COc2cc(C)nc(N3CCC(C)CC3)n2)c1 44169121 URLLBXYURFFENH-UHFFFAOYSA-N 368.481 3.601 0 40 FHAB CCc1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)cc2=O)cc1 57477809 UIGZQJINCYZTJD-UHFFFAOYSA-N 365.408 3.559 0 40 FHAB C[C@H](Sc1nnc(NCC(F)(F)F)s1)C(=O)Nc1ccccc1 57813553 HGQMYQCJZJMAGN-QMMMGPOBSA-N 362.402 3.632 0 40 FHAB Cc1noc(C)c1CCC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 48205945 AJQZHFQNTZROHF-UHFFFAOYSA-N 361.405 3.572 0 40 FHAB CCCCCC(=O)NC(=S)Nc1cccc(NC(=O)c2ccco2)c1 2052139 DVPJRQWDQIOWBY-UHFFFAOYSA-N 359.451 3.925 0 40 FHAB CCOc1ccc(NC(=O)CCn2nc(C)c(Br)c2C)cc1 28231422 JUIVUKNMRCPATG-UHFFFAOYSA-N 366.259 3.690 0 40 FHAB CC(C)CC[C@@H](C)NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 12747103 VTVNVCRMRQRDLG-CQSZACIVSA-N 359.495 3.879 0 40 FHAB COc1cccc(-c2nn3c(COc4ccc(F)cc4)nnc3s2)c1 2182955 TUKBFRYQOBGOFJ-UHFFFAOYSA-N 356.382 3.580 0 40 FHAB COc1ccc2oc(C(=O)N[C@@H](C)c3ccc4c(c3)CC(=O)N4)c(C)c2c1 58364362 TZRUNNCDIDXYAC-LBPRGKRZSA-N 364.401 3.735 0 40 FHAB CSc1nnc2n(-c3ccccc3C)c(=O)c3c4c(sc3n12)CCC4 2237765 IWGIHHLIWAGLHB-UHFFFAOYSA-N 368.487 3.614 0 40 FHAB CC[C@@H](C)c1ccc([C@@H](NC(=O)N2CCC(C(N)=O)CC2)C(C)C)cc1 12735626 JOVOBRVNOSOZFS-BEFAXECRSA-N 359.514 3.804 0 40 FHAB OC1=Nc2nc(N3CCOCC3)sc2[C@H](c2ccc(F)cc2Cl)C1 36359951 KAAIXCRYBNOTHF-NSHDSACASA-N 367.833 3.896 0 40 FHAB Cc1cccc(C(N)=O)c1NS(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C 12771475 OVFAFPNQBFVQIL-UHFFFAOYSA-N 374.506 3.809 0 40 FHAB Cc1sc(NC(=O)[C@H]2CCCO2)nc1-c1ccc(OC(F)F)cc1 12753647 BRPZVWMHNHYONF-GFCCVEGCSA-N 354.378 3.837 0 40 FHAB Cc1ccccc1OCCN(C)Cc1cc(=O)oc2c(C)c(O)ccc12 12787086 LLLIIBJXKOCFPI-UHFFFAOYSA-N 353.418 3.626 0 40 FHAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)NCCc1ccccc1 3354222 IBDKZBZHNAUIPH-UHFFFAOYSA-N 373.452 3.721 0 40 FHAB CCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cccs1 2421711 WYUVEYGNMZWUQA-UHFFFAOYSA-N 362.480 3.704 0 40 FHAB O=C(OCc1ccccc1OC(F)F)c1ccccc1N1CCCC1=O 36712865 HWAVJEGFNJZLKX-UHFFFAOYSA-N 361.344 3.772 0 40 FHAB CCS(=O)(=O)c1ccccc1NC(=O)COc1ccc(C(C)C)cc1 46288191 RFUFUJJRYKJADB-UHFFFAOYSA-N 361.463 3.621 0 40 FHAB Cc1nn(-c2ccc(NC(=O)c3nn(C)cc3Cl)cc2)c(C)c1Cl 28241124 MBCSVWJQUZTSEL-UHFFFAOYSA-N 364.236 3.782 0 40 FHAB C[C@@H](NC(=O)N(Cc1ccccc1Br)C1CC1)[C@@H]1CCCO1 46970895 MUXYWUIFEFEFHY-WBMJQRKESA-N 367.287 3.691 0 40 FHAB CSc1ccccc1NC(=O)CSc1nncn1-c1ccccc1 3453027 SDNVWSLMYPFPFW-UHFFFAOYSA-N 356.476 3.720 0 40 FHAB Cn1ccnc1[C@H](NC(=O)NCc1ccccc1)c1ccc(Cl)cc1 25218462 AIMAPJXUZOFBOB-QGZVFWFLSA-N 354.841 3.662 0 40 FHAB Cc1ccc(NC(=O)C[C@H](C(=O)O)c2ccccc2)c(Br)c1 13248968 XDPVEMBIUAJFGX-ZDUSSCGKSA-N 362.223 3.955 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)cc1 24429491 POVHRROYVSISLC-UHFFFAOYSA-N 361.341 3.785 0 40 FHAB CC(C)Cc1cc(-c2nnc3sc(-c4ccc(N(C)C)cc4)nn23)n[nH]1 13692241 NZNLQDQDPGVXDI-UHFFFAOYSA-N 367.482 3.507 0 40 FHAB O=C(N[C@@H]1CCCOc2ccc(F)cc21)[C@@H](c1ccccc1)n1cccn1 64934808 NBAYLNFXEGSOPS-UYAOXDASSA-N 365.408 3.642 0 40 FHAB Cc1ccc(NC(=O)c2nn(-c3cccc(Cl)c3)ccc2=O)cc1C 9205726 RVQLHKMWVNFHHA-UHFFFAOYSA-N 353.809 3.755 0 40 FHAB CC[C@H]1CCCCN1C(=O)COc1cc2oc(=O)cc(C)c2cc1Cl 6365623 MWJPALRABGLZKG-ZDUSSCGKSA-N 363.841 3.925 0 40 FHAB O=C(COc1cc(Cl)ccc1Cl)NCCCCc1nccs1 65585206 KUESMJYTHPVFPL-UHFFFAOYSA-N 359.278 3.968 0 40 FHAB O=C(Nc1ccccc1Cl)N[C@H](Cc1ccccc1)[C@H](O)C(F)F 65588770 VXAWKGXTMHXMHI-CABCVRRESA-N 354.784 3.699 0 40 FHAB O=C(COc1cccc2ccccc12)N1CCN(Cc2ccccc2)CC1 21005058 NXWSUUHFDHQKKE-UHFFFAOYSA-N 360.457 3.563 0 40 FHAB COc1ccc(Cl)cc1C(=O)O[C@@H](C)C(=O)NCCC1=CCCCC1 4580937 GYDXHZLUBIPQKU-ZDUSSCGKSA-N 365.857 3.901 0 40 FHAB O=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1 6618584 XXWXHIOXVHKIQD-INIZCTEOSA-N 351.381 3.896 0 40 FHAB COc1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)cc1Br 4704817 UFIOAATVKFNFIU-KPKJPENVSA-N 356.241 3.902 0 40 FHAB COc1ccc(-c2n[nH]c(SCCOc3ccccc3OC)n2)cc1 4736063 XFRIWWCKEDWNSC-UHFFFAOYSA-N 357.435 3.660 0 40 FHAB CCC(CC)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccccc1OC 5642677 HDHQIQYHDQAJRS-MRXNPFEDSA-N 361.467 3.733 0 40 FHAB Cc1ccc(F)cc1NC(=O)c1nn(CC(C)C)c(=O)c2ccccc12 6879068 KKERFLLBKKTIKZ-UHFFFAOYSA-N 353.397 3.752 0 40 FHAB COc1cccc([C@@H]2CC(=O)Nc3[nH]ncc32)c1OCc1ccc(F)cc1 15083317 UYHRVWVBQVZNKA-HNNXBMFYSA-N 367.380 3.611 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(C(C)C)n2C2CC2)c1C 9478476 HTEFEPVFTGAIPN-UHFFFAOYSA-N 360.483 3.859 0 40 FHAB CSc1cccc(NC(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)c1 9479642 ZNPFMAIRMBTVFQ-UHFFFAOYSA-N 357.435 3.578 0 40 FHAB O=C(OCc1cc(-c2ccco2)on1)c1ccc(OC[C@H]2CCCO2)cc1 7553903 ATCRGLKSPCTWGI-QGZVFWFLSA-N 369.373 3.849 0 40 FHAB C[C@H](NC(=O)c1ccc(-n2cccn2)cc1)c1ccc(-n2ccnc2)cc1 7987325 FVVVOXIBLIPDCO-INIZCTEOSA-N 357.417 3.549 0 40 FHAB COc1coc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1=O 16850762 BFEORUMJOPBFEN-UHFFFAOYSA-N 363.413 3.600 0 40 FHAB CC[C@]1(C)Cc2c(sc3[nH]c(=O)n(-c4ccccc4)c(=O)c23)CS1 16955805 CUSXQGQWRJLVGU-GOSISDBHSA-N 358.488 3.699 0 40 FHAB C[C@H](NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)N1CCCC1 8312264 BSVGMODSRUXWCO-FXAWDEMLSA-N 361.489 3.900 0 40 FHAB C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccc2c(c1)CCC2 8311937 YVSSEPWIIUTKDP-ZDUSSCGKSA-N 356.495 3.613 0 40 FHAB CCCCS[C@H](C)C(=O)NCCOc1cccc(Br)c1 71819362 FPIBTUJAQLPTLP-GFCCVEGCSA-N 360.317 3.866 0 40 FHAB COc1ccc(OC)c2[nH]c(C(=O)NCCc3c[nH]c4ccccc34)cc12 8764882 AJMRWOSRKUQUMZ-UHFFFAOYSA-N 363.417 3.639 0 40 FHAB biogenic COc1ccc(CN(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C2CC2)cc1 83944269 HZWVFTWDYPSOJU-NQIIRXRSSA-N 356.510 3.841 0 40 FHAB Cc1[nH]c([C@H]2CCCN2C(=O)Nc2nncs2)nc1-c1ccccc1 72305876 DCMOFPJAODYCKB-CYBMUJFWSA-N 354.439 3.606 0 40 FHAB CN(C(=O)c1cccc(F)c1)[C@H]1CCCN(C(=O)c2cccc(F)c2)CC1 89335010 YMKVXHFETWLFOO-IBGZPJMESA-N 372.415 3.732 0 40 FHAB Fc1cccc(CSc2nc(CN3CCOCC3)nc3ccccc23)c1 22358816 OWWQOAHEZQCYOI-UHFFFAOYSA-N 369.465 3.893 0 40 FHAB C[C@H](NC(=O)N1CCOC[C@H]1C1CC1)c1nc(-c2ccccc2)cs1 89897060 ROQVKMDKNIEHEM-GUYCJALGSA-N 357.479 3.692 0 40 FHAB CCCN1CCC(CNC(=O)c2ccc(Oc3ccccc3)cn2)CC1 548827708 MLQGQWQXWJICBY-UHFFFAOYSA-N 353.466 3.726 0 40 FHAB Cn1c(C(=O)NC[C@H]2CCCN3CCCC[C@H]23)cc2c(Cl)cccc21 504401804 VYEVFIWPVHADNM-RHSMWYFYSA-N 359.901 3.826 0 40 FHAB biogenic Cc1cc(F)ncc1C(=O)Nc1cccc(CN=S2(=O)CCCC2)c1 1520413512 RVTLLOGDSJMRFR-UHFFFAOYSA-N 361.442 3.543 0 40 FHAB Cc1ccc2sc(CN3C(=O)C[C@@H](Cc4ccc(F)cc4)C3=O)nc2c1 530102128 BRFZQKVTBYJYDX-CQSZACIVSA-N 368.433 3.862 0 40 FHAB CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)O)N3C[C@@H](C)C[C@@H](C)C3)c2c1 36359698 QMEPWRYJGZLKKO-KSMMKXTCSA-N 371.481 3.866 0 40 FHAB Cc1cc(OCC(=O)NCCSC(C)(C)C)ccc1Br 218822753 LUKMYAILMATTSA-UHFFFAOYSA-N 360.317 3.784 0 40 FHAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(C(=O)OC)cc3)S2)cc1 408782488 JDNZJGDCKOTNCB-PGNDWZGLSA-N 368.458 3.635 0 40 FHAB CCCOc1ccc(N2C[C@H](C(=O)NC3CCC(CC)CC3)CC2=O)cc1 408708754 SJKMRSUCJZZENU-LXPRWKDFSA-N 372.509 3.913 0 40 FHAB CC(C)CC(=O)Nc1cc(Br)c(O)c(Br)c1 32116694 QCGZMYAKTVAIKI-UHFFFAOYSA-N 351.038 3.902 0 40 FHAB Cc1cc(Nc2ccccn2)nc([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 72360042 YMCGWXQXJHOOEY-KRWDZBQOSA-N 365.481 3.820 0 40 FHAB CC(C)(C)c1ccc(OCC(=O)NCc2ccc(-n3ccnc3)cc2)cc1 44844504 ZEXRDPAPDXNUDZ-UHFFFAOYSA-N 363.461 3.865 0 40 FHAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 226629222 YBZPUNZGOXWAAB-FBTNWIDXSA-N 367.754 3.916 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCOc1ccc(Cl)cc1 224462648 AVIDOMTYCHLQCI-GOSISDBHSA-N 363.841 3.701 0 40 FHAB O=S(=O)(Cc1cccc(Cl)c1)NCc1ccnc(-c2ccco2)c1 225658509 JNCFMFOZFLANOH-UHFFFAOYSA-N 362.838 3.615 0 40 FHAB COc1ccc(CNC(=O)c2ccc(OC)c(COCC(C)C)c2)cc1 224446180 QJNZPCFYEIQPPH-UHFFFAOYSA-N 357.450 3.806 0 40 FHAB CN1CC[C@H](NC(=O)Nc2nc(C3CCC3)cs2)[C@H]1c1ccccc1 570271103 PMLHXGFSLLPOIZ-DOTOQJQBSA-N 356.495 3.978 0 40 FHAB COc1ccc(OC[C@H](C)NC(=S)Nc2ccc(F)c(F)c2)cc1 225266692 ZFMQOJDHYLKKGH-NSHDSACASA-N 352.406 3.727 0 40 FHAB Cc1cccc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c1 224110849 VAFSCKKYSAJPRA-IBGZPJMESA-N 366.505 3.727 0 40 FHAB Cn1c(-c2cc(O)cc(-c3nc4ccccc4n3C)n2)nc2ccccc21 82048481 MEOBATHMTGFVOA-UHFFFAOYSA-N 355.401 3.895 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)NCc2cccc(CN3CCCC3)c2)cc1C 224626558 NKSSZNRKBABUQB-LJQANCHMSA-N 366.505 3.983 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)n1cc(C(=O)OC)c2ccccc21 222621119 AFALMBGNFWPPQL-LJQANCHMSA-N 367.401 3.934 0 40 FHAB CC(C)n1cc(C2=CCCN(C(=O)N3CCc4ccccc43)CC2)nn1 333112165 SHMSCOHWMWPVOB-UHFFFAOYSA-N 351.454 3.521 0 40 FHAB O=C(N[C@@H]1CCc2c(Br)cccc21)c1cnc(C2CC2)nc1 578292094 XXDAJYRFKOQGRX-OAHLLOKOSA-N 358.239 3.534 0 40 FHAB O=C(c1ccco1)c1coc2ccc(OCC(=O)N3CCCCC3)cc12 96184222 SRYUIRYVGFSHRO-UHFFFAOYSA-N 353.374 3.648 0 40 FHAB CCOc1cc([C@@H](N)c2n[nH]c(-c3cccc(Cl)c3)n2)ccc1OC 95534375 JEZLBYVVGCBYML-MRXNPFEDSA-N 358.829 3.581 0 40 FHAB COc1cc(NC(=O)c2ccnc(OC3CCCC3)c2)cc(OC)c1OC 252485310 GQWJOOORLBOCOR-UHFFFAOYSA-N 372.421 3.681 0 40 FHAB O=C(c1cccs1)N1CCO[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257203099 AORZKFYBOYJZIM-MRXNPFEDSA-N 372.421 3.680 0 40 FHAB CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)NCc2ccc(C)nc2)CC1=O 49195883 FRJOMNXJCWIYJX-YJBOKZPZSA-N 365.477 3.573 0 40 FHAB CN(c1ccccc1)c1ccccc1NC(=O)c1ccnc(-n2cncn2)c1 54673714 SHUXTZAZQVYISA-UHFFFAOYSA-N 370.416 3.683 0 40 FHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cn(CC)c2ccccc12 58347918 WXFACGRLSCQKJN-UHFFFAOYSA-N 374.444 3.560 0 40 FHAB CCn1c(SCC(=O)N2c3ccccc3C[C@@H]2C)nnc1-c1ccco1 5046062 CHFIPSDPIVYMJF-ZDUSSCGKSA-N 368.462 3.628 0 40 FHAB CC(C)Cn1c(O)c(C(=O)Nc2ccc(F)c(F)c2)c(=O)c2ccccc21 5789760 LWVGSKMULWCVSC-UHFFFAOYSA-N 372.371 3.894 0 40 FHAB CC(=O)Nc1ccc(CNC(=O)COc2ccc(C(C)C)c(C)c2)cc1 12788432 FABOJBCMEQPAQV-UHFFFAOYSA-N 354.450 3.772 0 40 FHAB COc1cc(CSc2nc(-c3ccccc3)cc(=O)[nH]2)cc(OC)c1 13115382 LFGGNSPUXIWONI-UHFFFAOYSA-N 354.431 3.746 0 40 FHAB C[C@@H](NC(=O)C[C@@H](C)n1nnc2ccccc21)c1ccc2c(c1)CCCO2 19455408 GALRSZDQVQXDMR-HUUCEWRRSA-N 364.449 3.585 0 40 FHAB COc1ccccc1-c1ccccc1CN1CCCN2C(=O)CC[C@]12C 19659158 RCZNJTOWABMXJS-JOCHJYFZSA-N 350.462 3.907 0 40 FHAB O=C(O)/C(=C/c1cccnc1)Sc1nnc(-c2ccc(Cl)cc2)[nH]1 7365588 IVZGHDDEFSVVJG-JYRVWZFOSA-N 358.810 3.738 0 40 FHAB CN(C)CCOc1ccc(NCc2cc(-c3ccccc3)c[nH]c2=O)cc1 12222347 SFPGECGDZXGJIB-UHFFFAOYSA-N 363.461 3.594 0 40 FHAB CCc1nc2sc([C@H](c3cccs3)N3CCC[C@@H](C)C3)c(O)n2n1 16690062 CCCRCDJWOSBCLC-RISCZKNCSA-N 362.524 3.942 0 40 FHAB Cc1oc2c(F)c(F)c(F)c(F)c2c1C(=O)Nc1cccc(C(N)=O)c1 14021532 TYNLCNJRVBJWBM-UHFFFAOYSA-N 366.270 3.649 0 40 FHAB CCN(Cc1ccc(Cl)s1)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 14021161 LEZJUKULFXSVBS-YVEFUNNKSA-N 369.918 3.682 0 40 FHAB COc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccoc3C)n2C)c1 21140836 CDHADYXDONLQRL-GFCCVEGCSA-N 372.450 3.511 0 40 FHAB COc1ccc(-c2nsc(SCC(=O)NC3CCCCC3)n2)cc1 3007384 SLTFUOSJOJESJU-UHFFFAOYSA-N 363.508 3.755 0 40 FHAB COc1ccc(Nc2nc(NCCc3ccccc3)nc3nccnc23)cc1 9074395 ARDYTSIUJZKSAX-UHFFFAOYSA-N 372.432 3.827 0 40 FHAB COC(=O)Nc1nc(CC(=O)Nc2ccc(Cl)c(Cl)c2)cs1 12440382 PNFNNAQJGVQRIW-UHFFFAOYSA-N 360.222 3.809 0 40 FHAB O=C(NCC1(c2cccs2)CCOCC1)c1ccc(Br)o1 23238125 LEUDMEWQJBFPCA-UHFFFAOYSA-N 370.268 3.582 0 40 FHAB C[C@@H](NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1)C(=O)O 61705236 GKMBYFKDZMNKMW-GFCCVEGCSA-N 359.385 3.586 0 40 FHAB biogenic Nc1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)n1C1CC1 31453434 XBHPLXOYHSKNTA-UHFFFAOYSA-N 365.462 3.593 0 40 FHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)[C@H](C)OCC(F)(F)F)cs1 31713099 BBERQXNDDBGBRL-JTQLQIEISA-N 370.396 3.975 0 40 FHAB COc1ccc([C@@H]2CC(=O)Nc3n[nH]cc32)cc1OCc1cccc(F)c1 20730791 HPDNSEQFRJAYQT-HNNXBMFYSA-N 367.380 3.611 0 40 FHAB COc1ccc(C)cc1[C@@H](C)NS(=O)(=O)C1=Cc2ccccc2CC1 32811051 WGAMHUFVJYHWBC-OAHLLOKOSA-N 357.475 3.971 0 40 FHAB COc1ccc(-c2cc(C(=O)NCCOc3ccc(Cl)cc3)no2)cc1 41157558 LWKBEFQCUCLJHI-UHFFFAOYSA-N 372.808 3.812 0 40 FHAB CC[C@@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)c1ccc(OC)cc1 32868848 MKUIYVSYVFHKKB-GOSISDBHSA-N 352.438 3.902 0 40 FHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)[C@@H](C)c1ccc(F)cc1 32842984 GVBGXVDYAIGGPF-GJZGRUSLSA-N 358.413 3.660 0 40 FHAB O=C(Cc1ccccc1F)Nc1cccc(S(=O)(=O)C2CCCC2)c1 33051864 CFDSETOPHYUMMC-UHFFFAOYSA-N 361.438 3.723 0 40 FHAB O=C(CCC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1)c1cccs1 22416605 FRYTVMBZRPSKCL-UHFFFAOYSA-N 371.458 3.538 0 40 FHAB CCC(=O)N(Cc1ccc(C)cc1)Cc1cc2cccc(C)c2n2nnnc12 1376836 UKUOUSFEQLBKAJ-UHFFFAOYSA-N 373.460 3.833 0 40 FHAB Cc1cc(Nc2nnnn2-c2ccccc2)n(-c2ccc(Cl)cc2)n1 2437127 JITYILRIPBORKF-UHFFFAOYSA-N 351.801 3.553 0 40 FHAB Cc1cccn2c(=O)c3cc(C(=O)Nc4ccc(F)c(F)c4)sc3nc12 2466932 IHRNNKUGUHFGIT-UHFFFAOYSA-N 371.368 3.748 0 40 FHAB O=C(COC(=O)c1cccnc1Cl)Nc1ccccc1C(F)(F)F 3254670 AXIZQSZUGHAYSJ-UHFFFAOYSA-N 358.703 3.549 0 40 FHAB CCOc1ccc(C(=O)[C@H](C)OC(=O)c2c(OC)cccc2OC)cc1 3429993 ABJLQBPNVQRKJI-ZDUSSCGKSA-N 358.390 3.531 0 40 FHAB COc1ccc(C(=O)Nc2nnc(-c3cccc(C)c3)s2)cc1OC 4072092 HZSKFUSNNQWXTD-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB NC(=O)CSc1nc(-c2ccc(F)cc2)nc2c1Cc1ccccc1O2 4315650 AWIADYVTIZCTNR-UHFFFAOYSA-N 367.405 3.557 0 40 FHAB CSc1nc2c(c(=O)n1-c1ccc(OC(F)(F)F)cc1)SCC2 4358869 JXPZVHSCOQMCHD-UHFFFAOYSA-N 360.382 3.501 0 40 FHAB O=C(Nc1ccc(F)cc1)NC1(C(=O)NCc2ccco2)CCCCC1 4374767 IIKFELJFJNUCTD-UHFFFAOYSA-N 359.401 3.560 0 40 FHAB aggregator CCCCC[C@H](C)NC(=O)COCC(=O)Nc1ccc(C)c(Cl)c1 4681153 KSCSIWLVEQYJQZ-AWEZNQCLSA-N 354.878 3.689 0 40 FHAB C[C@@H]1C[C@@H](c2ccccc2)n2ncnc2N1C(=O)c1cccc(Cl)c1 4732696 CQCNMYANXOXKSD-DYVFJYSZSA-N 352.825 3.960 0 40 FHAB CC(=O)Nc1nnc(SCn2c(=S)sc3ccccc32)s1 4748518 WEIVSGXHANBYEV-UHFFFAOYSA-N 354.507 3.992 0 40 FHAB CCN1CCN(c2ccc(NC(=O)c3cccc4ncccc34)cc2)CC1 4859354 GTWWWWLXOJAHLJ-UHFFFAOYSA-N 360.461 3.629 0 40 FHAB COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3cccs3)C[C@H]21 5093510 VHEULIACULTNAH-MRXNPFEDSA-N 369.490 3.722 0 40 FHAB O=S(=O)(Nc1ccc2c(c1)CCC2)c1cccc(Br)c1 5120875 NFKOVAKGAXGGRZ-UHFFFAOYSA-N 352.253 3.739 0 40 FHAB O=C(Cc1ccccc1)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1 5602838 OBGIRQUECFHUEY-UHFFFAOYSA-N 374.396 3.818 0 40 FHAB in-vitro CCCc1nc2ccccc2n1CC(=O)Nc1ccc(OC)cc1OC 5656671 RGPQXEMDEOAIAL-UHFFFAOYSA-N 353.422 3.645 0 40 FHAB O=C(O)C[C@@H]1SC2=Nc3ccc(Cl)cc3[C@H](c3ccccc3)N2C1=O 5775320 OAKXHCDPXAKZPG-HOCLYGCPSA-N 372.833 3.849 0 40 FHAB Cc1nn([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1Br 6527461 LEBUPWXUHOPFLA-GVMDUPDNSA-N 366.303 3.600 0 40 FHAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cc1cccc(C(F)(F)F)c1 6649198 CJGJVMKJPBGFNF-GOSISDBHSA-N 360.335 3.599 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)CN2CCC(Cc3ccccc3)CC2)c1C 6787731 CIPWSZUXQSBECY-UHFFFAOYSA-N 368.477 3.556 0 40 FHAB CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 7264840 VRPPLUJYVSIKJM-UHFFFAOYSA-N 357.403 3.657 0 40 FHAB C[C@H]1CCc2c(C(=O)Nc3ccccc3N3CCOCC3)csc2C1 7814449 SDVNGTRRZLNDCM-AWEZNQCLSA-N 356.491 3.962 0 40 FHAB Cc1cccc(-n2nnnc2SCC(=O)Nc2ccc(C(C)C)cc2)c1 7997751 RSBNXUYQJJABGK-UHFFFAOYSA-N 367.478 3.825 0 40 FHAB COc1cc(C(=O)N[C@H](C)C2CC2)cc(OC)c1OCc1ccccc1 8327903 WJPSTEYFWQJBLC-CQSZACIVSA-N 355.434 3.811 0 40 FHAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1n[nH]c(=O)n1C1CC1 8503897 JZCJXTYKDYTPRF-RYUDHWBXSA-N 360.483 3.539 0 40 FHAB COCCNC(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccc(F)cc12 8733879 CWWULRXLEGGHDE-UHFFFAOYSA-N 370.424 3.678 0 40 FHAB CN(C(=O)COC(=O)c1ccccc1NCc1ccco1)C1CCCCC1 9023284 IWODVDZGKXTPLT-UHFFFAOYSA-N 370.449 3.840 0 40 FHAB Cc1sc2ncnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)c2c1C 9377735 FBTJTINWAIRHMC-ZDUSSCGKSA-N 360.527 3.685 0 40 FHAB O=C1c2ccccc2N[C@@H](c2ccc(OC[C@H]3CCCO3)cc2)N1C1CC1 11034726 KPMXFZKDNPBHNP-WIYYLYMNSA-N 364.445 3.973 0 40 FHAB Cc1ccc(OCC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 11999856 ZCDCRLAXVQWNEP-UHFFFAOYSA-N 350.418 3.921 0 40 FHAB COc1ccc(-n2nnc(C(=O)OCc3cccc(Cl)c3)c2C)cc1 12415561 KGUGYNBAZARHSV-UHFFFAOYSA-N 357.797 3.595 0 40 FHAB COC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1ccc(Cl)cc1 12655520 BUFYSRXMCINPCT-KRWDZBQOSA-N 366.808 3.531 0 40 FHAB O=C(Nc1ccc(OC(F)F)cc1)c1ccc(NC(=O)C2CC2)s1 12683531 RLVKZLXPPHCORP-UHFFFAOYSA-N 352.362 3.950 0 40 FHAB Cc1cccc(OCCN(C)Cc2cc(=O)oc3c(C)c(O)ccc23)c1 12776915 XYXMMJHQJANYGH-UHFFFAOYSA-N 353.418 3.626 0 40 FHAB CCc1noc([C@H](C)N(C)Cc2cc(Br)ccc2OC)n1 12793960 WCFWZTXNPYPLLR-JTQLQIEISA-N 354.248 3.596 0 40 FHAB CCn1c(SCC(=O)c2ccc3c(c2)CCC3)nc2ccsc2c1=O 12907991 SWZIPIJGHXWPRI-UHFFFAOYSA-N 370.499 3.942 0 40 FHAB O=C([C@H]1Cc2ccccc2O1)N1CCC[C@H]1c1nc2ccccc2s1 12925934 LHEDJTXNRZDUEB-DOTOQJQBSA-N 350.443 3.964 0 40 FHAB COc1ccccc1-c1noc([C@H](C)NC(=O)c2cccc(Cl)c2)n1 13495137 JUGRRCALLPZSIT-NSHDSACASA-N 357.797 3.890 0 40 FHAB COc1ccc(OCC(=O)N(Cc2cccs2)c2ccccn2)cc1 15669854 BOBHZUFUNYADEC-UHFFFAOYSA-N 354.431 3.764 0 40 FHAB COc1ccc(Br)cc1CN(C)C(=O)NCc1ccccc1 17115563 CSTPECXHAPAGJE-UHFFFAOYSA-N 363.255 3.799 0 40 FHAB CC(C)CC(=O)N1CC[C@](Cc2ccc(-c3ccsc3)cc2)(C(N)=O)C1 19446194 OCJQWXQTICZARB-OAQYLSRUSA-N 370.518 3.708 0 40 FHAB COc1ccc(CN(C[C@H]2CCOC2)C2CC(C)(C)NC(C)(C)C2)cc1 19461001 HHNZGVTXKLEKBJ-GOSISDBHSA-N 360.542 3.843 0 40 FHAB Clc1cccc(-c2ccc([C@H]3CN(c4ncccn4)CCO3)nc2)c1 19692525 PSTFOEFGNVWPGE-GOSISDBHSA-N 352.825 3.770 0 40 FHAB COc1ccccc1NC(=O)CCn1c(-c2cccs2)n[nH]c1=S 21216684 USEDXUOEJRLZKZ-UHFFFAOYSA-N 360.464 3.707 0 40 FHAB O=C1C[C@H](C(=O)OCc2coc(-c3ccccc3)n2)c2ccc(F)cc2N1 21857387 QJURRCFLJQBMKJ-INIZCTEOSA-N 366.348 3.650 0 40 FHAB O=C(Nc1cccc(Cl)c1F)c1cccc(NC(=O)[C@@H]2CCCO2)c1 22963352 CIBUYXPIDNITJR-HNNXBMFYSA-N 362.788 3.849 0 40 FHAB CC(C)CC[C@@H](C)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 23012811 XTSYYBSNAMJOEK-VQIMIIECSA-N 368.477 3.788 0 40 FHAB O=C(CCCc1c[nH]c2ccccc12)N1CCN(Cc2cccs2)CC1 23735894 CIFGDQXCAQHTIK-UHFFFAOYSA-N 367.518 3.897 0 40 FHAB Cc1cc(NC(=O)[C@H](NCc2ccc(C)c(F)c2)c2ccccc2)no1 23994661 VAJMVCMXBIYCDW-LJQANCHMSA-N 353.397 3.900 0 40 FHAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1cc2ccccc2s1 24208711 ZZDLDWHVJUHUCU-UHFFFAOYSA-N 366.486 3.664 0 40 FHAB C[C@@H](NC(=S)CCc1ccccc1)[C@H](c1ccccc1)N1CCOCC1 25329165 STUGGEMQWKTUDZ-XMSQKQJNSA-N 368.546 3.998 0 40 FHAB C[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccccc1 25714377 LWAVHRZVEMHMSF-ZBFHGGJFSA-N 356.853 3.613 0 40 FHAB O=C(NCCCN1CCOCC1)c1sc2cccc(Cl)c2c1Cl 27980186 KPGWGWYHQNLMDJ-UHFFFAOYSA-N 373.305 3.660 0 40 FHAB COc1ccccc1-n1cnnc1SCC(=O)NC1CCCCCCC1 28832027 DGFXMOUKNNIKEV-UHFFFAOYSA-N 374.510 3.597 0 40 FHAB CC(=O)N1CCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 39975688 JZZVDBQXLXSFRN-GFCCVEGCSA-N 368.277 3.674 0 40 FHAB CC[C@H](C)Cc1c(C)sc2[nH]c(SCCn3cccn3)nc(=O)c12 40157827 OFYFHASFWDETGX-NSHDSACASA-N 362.524 3.870 0 40 FHAB CNC(=O)CSc1ncc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1 44086488 ZSQIXWKIMNLCQN-UHFFFAOYSA-N 367.474 3.694 0 40 FHAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2ccc(-n3ccnc3C)cc2)c1 44949017 DWJWRMCMXJKRRD-KRWDZBQOSA-N 363.461 3.881 0 40 FHAB C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)Cc1ccsc1 47770418 FHRIRFWEZYIBEG-SNVBAGLBSA-N 371.289 3.832 0 40 FHAB Cc1n[nH]c(C(=O)N2CCC[C@H]2CCc2ccccc2)c1Br 54096945 ABVBZABTLFKMFM-AWEZNQCLSA-N 362.271 3.718 0 40 FHAB C[C@@H](NC(=O)c1cccs1)c1cc2c(cc1Br)OCCO2 54594899 NHCCZVGNBSZLCV-SECBINFHSA-N 368.252 3.773 0 40 FHAB Cc1ccccc1S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 57879003 SPVMQKOGFJAINN-UHFFFAOYSA-N 352.839 3.784 0 40 FHAB CCN1CCN(c2ccc(N[C@@H](C)c3nc(C(C)(C)C)no3)c(C)c2)CC1 58173336 SYKLLNRXCSGWHT-INIZCTEOSA-N 371.529 3.991 0 40 FHAB CCCN(Cc1occc1C(=O)OC)[C@H]1CCCN(Cc2ccccc2)C1 58218693 BCUJXEOMAVXPKD-IBGZPJMESA-N 370.493 3.943 0 40 FHAB CCN1C[C@H](C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CC1=O 58737032 JHOZRIJYMHDMTO-CYBMUJFWSA-N 358.825 3.939 0 40 FHAB COc1ccc(NS(=O)(=O)c2ccccc2Br)c(C)c1 61569185 OAMKNYLUYXCMSG-UHFFFAOYSA-N 356.241 3.567 0 40 FHAB O=C(c1cc(-c2cccs2)nn1-c1ccccc1)N1CCSCC1 61721380 NQPVGLDGYVJXNG-UHFFFAOYSA-N 355.488 3.790 0 40 FHAB O=C(NCCc1ccc(F)cc1)Nc1ccccc1CN1CCSCC1 61789547 UUUNGJSPYTZSJJ-UHFFFAOYSA-N 373.497 3.739 0 40 FHAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N[C@@H]1CCc2ccccc2C1 63663178 QYPFIWPJKSHAAW-FSPWUOQZSA-N 366.436 3.708 0 40 FHAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(-c2noc(=O)[nH]2)cc1 65476511 WYNFLRFLSXGVMK-UHFFFAOYSA-N 364.188 3.518 0 40 FHAB O=C(CCNC(=O)c1ccc(F)cc1)O[C@@H]1CCCC[C@H]1C(F)(F)F 65538148 FUQNDZDCIPCBDQ-ZIAGYGMSSA-N 361.335 3.610 0 40 FHAB CCCOc1ccc(CNC(=O)c2cc(-c3cccc(OC)c3)[nH]n2)cc1 72328231 OZFNNEANZJJPEE-UHFFFAOYSA-N 365.433 3.804 0 40 FHAB O=C(c1cscn1)N1CCC[C@@H]1c1cncc(Oc2ccccc2)n1 72384083 KGPYFJBMUVLRAR-MRXNPFEDSA-N 352.419 3.703 0 40 FHAB COc1ccccc1OCCN(C)Cc1c(C2CC2)[nH]c2ncccc12 72393728 QEXNVGCULKNXOR-UHFFFAOYSA-N 351.450 3.960 0 40 FHAB CC(C)(CN1CCCC1)CN1C[C@@H](c2cc[nH]n2)[C@H](c2ccccc2)C1 72395186 JWUSVCIEWHCTIR-VQTJNVASSA-N 352.526 3.715 0 40 FHAB Cc1ccc(Oc2ccc(NC(=O)N(CCCCO)C3CC3)cn2)cc1 75094207 GZGGRNJSNHMTQH-UHFFFAOYSA-N 355.438 3.951 0 40 FHAB O=C(NC1CCN(c2ccccn2)CC1)c1ccc2ccc(Cl)cc2n1 84083269 MZKTVRQGURJYEO-UHFFFAOYSA-N 366.852 3.682 0 40 FHAB Cn1cc([C@@H]2SCC(O)=Nc3ncn(-c4cccc(Cl)c4)c32)cn1 95475828 MACPUKBRHQAOAZ-HNNXBMFYSA-N 359.842 3.683 0 40 FHAB Cc1cc(O)ccc1C(=O)NCc1ccccc1CN(C)Cc1ccco1 95976476 WJNUZIFKAOVSQD-UHFFFAOYSA-N 364.445 3.856 0 40 FHAB COc1ccc(N[C@@H]2CO[C@@]3(CCN(Cc4ccc(C)s4)C3)C2)cc1 96047622 XNHUGRVAURQNRN-PXNSSMCTSA-N 358.507 3.911 0 40 FHAB COc1ccc(C[C@H]2CN(C(=O)c3ccccc3C)CC[C@H]2OC)cc1 96110254 DKWLAPXTRCSERY-GHTZIAJQSA-N 353.462 3.723 0 40 FHAB CO[C@@H]1[C@H](C)[C@@H](NC(=O)c2ccccc2SC[C@@H]2CCCO2)C1(C)C 97034082 URIMOKMUEVATAE-LTCOOKNTSA-N 363.523 3.747 0 40 FHAB CS(=O)(=O)c1ccc(NC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1 102716719 BXPXWHKQCSNBNO-LGBHXNNWSA-N 367.898 3.606 0 40 FHAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc(-c2ncon2)cc1 107212068 NEBKRRFELPDPFI-SFHVURJKSA-N 350.422 3.833 0 40 FHAB Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc(C)c3)o2)cc1 151452834 LEMGOQYCDCHTKK-UHFFFAOYSA-N 369.446 3.996 0 40 FHAB CC[C@H](c1ccc(F)cc1)S(=O)(=O)c1nnc(-c2cccc(C)c2)n1C 163948576 OMNWYJRUNHVWQB-QGZVFWFLSA-N 373.453 3.855 0 40 FHAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)ccc1C 223798486 MLFYXCNVMBMFHU-UHFFFAOYSA-N 353.827 3.544 0 40 FHAB Cc1cccc(OCC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1 225175993 ZGDHZQWXWVSQNH-UHFFFAOYSA-N 356.447 3.970 0 40 FHAB COc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1F 225395710 BJZMACXEBYLPDX-UHFFFAOYSA-N 356.397 3.713 0 40 FHAB CCOC(=O)c1cccc(NC(=O)COc2ccc3c(c2)CCCC3)c1 225439411 BVHPGTGSIFQSNP-UHFFFAOYSA-N 353.418 3.760 0 40 FHAB C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)c1cccc(Br)c1 225598974 GCXQIJLMCVQDJK-LBPRGKRZSA-N 360.251 3.745 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)Cc1cccc(Br)c1 225612307 QIESBBMGSOBVLZ-UHFFFAOYSA-N 362.223 3.807 0 40 FHAB CN(CCCNC(=O)Cc1cccc(Br)c1)c1ccccc1 225622450 IZVFQOKQOZLWKP-UHFFFAOYSA-N 361.283 3.634 0 40 FHAB CS(=O)(=O)c1ccc(NC(=O)c2ccc(Oc3nccs3)cc2)cc1 225636665 CZMYLWZORNNDIY-UHFFFAOYSA-N 374.443 3.591 0 40 FHAB CCOCCOc1ncc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1C 225900925 YSKOWAWBHNJJBJ-FOIQADDNSA-N 364.486 3.729 0 40 FHAB CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)nnc1-c1ccco1 245284692 UAPNSWMYBYAONS-BFHYXJOUSA-N 362.499 3.591 0 40 FHAB O=C(CC1=CCCCC1)N1Cc2cccn2C[C@H](OCc2cccnc2)C1 247851094 IRZVTIHOIWTKQG-NRFANRHFSA-N 365.477 3.701 0 40 FHAB Cn1cc(C(=O)N2CCCC[C@@H]2c2ccn3ccnc3n2)c2ccccc21 257207473 BHXWGFWQZHNIJG-LJQANCHMSA-N 359.433 3.588 0 40 FHAB Cc1nc(CN2CCN(C)C[C@@H](Cc3cncc4ccccc34)C2)cs1 257256497 KLSPTGZYCHNXME-QGZVFWFLSA-N 366.534 3.606 0 40 FHAB Cc1nc(-c2nccn2C)cc([C@@H]2CCCCN2C(=O)c2cccs2)n1 257311496 UJTAYBYRZJYROJ-INIZCTEOSA-N 367.478 3.614 0 40 FHAB CNc1nc([C@H]2CCCN2C(=O)c2ccc3ccccc3n2)cn2cccc12 257321271 WAXCMZQOPIDEQA-LJQANCHMSA-N 371.444 3.902 0 40 FHAB CCn1ccnc1[C@H](NC(=O)[C@H]1C[C@@H]1c1sccc1C)C1CCOCC1 286910426 PNWAHIRUVWOHDR-YESZJQIVSA-N 373.522 3.661 0 40 FHAB C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)N[C@@H]1CCCc2occc21 287647442 RAFIUZLVKMFBAO-XJKSGUPXSA-N 369.469 3.693 0 40 FHAB CC[C@H](C)n1ncc(NC(=O)N2CCO[C@H](c3cccc(F)c3)C2)c1C 331626074 MOYPHAVSTKJUKN-UGSOOPFHSA-N 360.433 3.907 0 40 FHAB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCC2)NC1CCCCC1 408547121 RJAVJDOTHWAJLR-UHFFFAOYSA-N 359.417 3.525 0 40 FHAB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cc2c(cc1Cl)OCO2 409038045 OJDBEWFWTGWARI-AUWJEWJLSA-N 372.833 3.673 0 40 FHAB Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2cc(C)ccc2C)S(C)(=O)=O)c1 409380923 JXXGHGISKVJYRY-KRWDZBQOSA-N 374.506 3.713 0 40 FHAB C[C@H]1[C@@H](C)OCCN1Cc1c(C(=O)O)oc2ccc(Br)cc12 570404002 ZEBJIGIUOQYKOP-VHSXEESVSA-N 368.227 3.503 0 40 FHAB Clc1ccc(CN2CC3(C[C@H](OCC4CCOCC4)CS3)C2)cc1 585104454 ITZFTKMRPWXUSY-SFHVURJKSA-N 367.942 3.843 0 40 FHAB C[C@H](NC(=O)N1CCC[C@@H](n2ccnc2)C1)c1ccc(F)c(Cl)c1 590859872 CEZQVVWUYMQBPU-GXTWGEPZSA-N 350.825 3.783 0 40 FHAB Cc1n[nH]cc1C(=O)N1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 602082978 KEFHOVLKQOLHTN-AWEZNQCLSA-N 367.449 3.518 0 40 FHAB OC[C@H](CN[C@@H](c1ccc(F)cc1)c1ncc[nH]1)c1ccc(Cl)cc1 672619771 DTSBQROMMLYXFY-YJBOKZPZSA-N 359.832 3.657 0 40 FHAB Cc1ccc2c(c1)S[C@H](C(=O)N1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C)C2 1325041798 KQHKVLTXIRLXOS-RKVPGOIHSA-N 374.550 3.506 0 40 FHAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2ncccc2O)N1c1ccc(F)cc1 1615153748 CPMUATAMXBIAFC-IRXDYDNUSA-N 369.440 3.588 0 40 FHAB O=C(Cc1ccc(F)cc1F)N1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1776009521 HASMXAWZZWIELH-GJZGRUSLSA-N 365.811 3.752 0 40 FHAB Fc1ccc(CN2CCC(Cc3nc(-c4ccncc4)no3)CC2)cc1 1888888378 JKEOEVDHWQQZHD-UHFFFAOYSA-N 352.413 3.725 0 40 FHAB c1cnc(OC[C@@H]2CCCN(Cc3csc(C4CCCC4)n3)C2)cn1 2298192564 PPIKKTKYHMXWAC-OAHLLOKOSA-N 358.511 3.882 0 40 FHAB O=S(=O)(c1cccs1)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 47345066 ITAUQISTABBWSG-UHFFFAOYSA-N 362.451 3.847 0 40 FHAB COc1ccc(N2Cc3cc(Br)ccc3OCC2=O)cc1F 77100661 ROSZUQIEDKLDAV-UHFFFAOYSA-N 366.186 3.522 0 40 FHAB Cc1nc(COc2ccccc2C(=O)Nc2nc3ccccc3s2)no1 8983016 SLNRIWNFGJPAFT-UHFFFAOYSA-N 366.402 3.819 0 40 FHAB CCOc1ccccc1NC(=O)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1 1379430 JUHWQDKQOBCABJ-QGZVFWFLSA-N 371.412 3.859 0 40 FHAB CC(C)C(=O)Nc1nnc(SCC(=O)Nc2ccc(Cl)cc2)s1 1381694 UAHAPWZLAWIFFO-UHFFFAOYSA-N 370.887 3.517 0 40 FHAB O=C(COC(=O)c1cc2ccccc2oc1=O)Nc1cccc2ccccc12 3302330 SJYKXQPCEKLHAC-UHFFFAOYSA-N 373.364 3.742 0 40 FHAB Cc1cc(/C=C/C(=O)N2CCN(Cc3ccccc3)CC2)c(C)n1C1CC1 23701692 ILTCENOUEJYLGY-DHZHZOJOSA-N 363.505 3.797 0 40 FHAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)Cc1ccccc1 4501717 QTQKYHJZWVKCHT-UHFFFAOYSA-N 350.374 3.722 0 40 FHAB CC(C)[C@H](NC(=O)c1ccc(Cn2ccccc2=O)o1)c1ccccc1 24030361 KVLSPLQZTAJPSQ-FQEVSTJZSA-N 350.418 3.617 0 40 FHAB CNC(=O)c1ccccc1[C@@](O)(c1ccccc1)c1ccc(Cl)cc1 4896348 FBIMDXRRVFDEEL-OAQYLSRUSA-N 351.833 3.984 0 40 FHAB Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c(C)c1 6340208 NQOKRKSRHLKNGK-UHFFFAOYSA-N 354.425 3.933 0 40 FHAB O=C1CCSc2ccc(C(=O)NCCCOC3CCCCC3)cc2N1 24481025 VEJUZRMGBGIVEU-UHFFFAOYSA-N 362.495 3.590 0 40 FHAB Cn1c(SCCOC(=O)c2ccccc2)nnc1-c1ccc(F)cc1 6913520 CUNSZHXDFSEOIW-UHFFFAOYSA-N 357.410 3.570 0 40 FHAB CCOc1ccc(Cl)cc1/C=C(\Sc1nnc(CC)o1)C(=O)O 7508593 QLFNIVYCUJCXKN-WQLSENKSSA-N 354.815 3.902 0 40 FHAB Cc1[nH]c2ccc(C(=O)OCC(=O)Nc3cccnc3Cl)cc2c1C 7981730 QJVHYLZJDMNUJQ-UHFFFAOYSA-N 357.797 3.629 0 40 FHAB CC(=O)NCCCC(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 57084372 VLPWERRACGVMJL-QGZVFWFLSA-N 350.871 3.523 0 40 FHAB O=S1(=O)CC[C@@H](Cc2nc3ccccc3n2C/C=C/c2ccccc2)C1 12525118 JSENVOZTKSWYPI-YOCVDRLZSA-N 366.486 3.727 0 40 FHAB CCOCCCNC(=O)c1cccc(NC(=O)c2ccc3cc[nH]c3c2)c1 55411794 PGCAUSGBEHPWGM-UHFFFAOYSA-N 365.433 3.577 0 40 FHAB O=C(NCCCn1cnc2ccccc21)c1ccc(Br)cc1 12550350 INCURGQMVWFSMC-UHFFFAOYSA-N 358.239 3.619 0 40 FHAB Cc1cccc(-n2nc(C(=O)O)nc2-c2ccc(Br)cc2)c1 8730847 HHSGGXZHWGJFEP-UHFFFAOYSA-N 358.195 3.703 0 40 FHAB C[C@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccccc4)c3)C(=O)[C@H]12 102601678 GXYFNJSDPGWKNK-ZOCIIQOWSA-N 360.413 3.641 0 40 FHAB O=C(Nc1ccc(-n2cccn2)nc1)N1CCC[C@@H]1c1cccc(F)c1 56615618 PZKBNRWVSSOXJL-QGZVFWFLSA-N 351.385 3.775 0 40 FHAB O=C1N[C@H](c2ccc(O)cc2)Nc2c1sc(=S)n2-c1ccccc1 59459457 UXLBIXBZQAOORK-CQSZACIVSA-N 355.444 3.828 0 40 FHAB NC(=O)CCN(CC1(c2ccccc2)CCCC1)C(=O)c1ccccc1 28286169 ZYHKMYXEQPRUAD-UHFFFAOYSA-N 350.462 3.516 0 40 FHAB CCc1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2C)cc1 3238957 OLPIJVNIKUDCQK-UHFFFAOYSA-N 361.825 3.772 0 40 FHAB CC(C)(C)OC(=O)N1CCC(Cc2ccc(Cl)cc2)(C(=O)O)CC1 35571455 MRYZLPQGWRXSTE-UHFFFAOYSA-N 353.846 3.984 0 40 FHAB O=C(COc1ccccc1Cl)NC[C@H](c1cccs1)N1CCCC1 27582135 KFODRLJOSYLUCI-OAHLLOKOSA-N 364.898 3.734 0 40 FHAB COCCn1cc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)cn1 58196071 VLKHEDRMJDBOAO-UHFFFAOYSA-N 364.449 3.764 0 40 FHAB Cc1cc(NC(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)no1 58182509 IHJUEVIPLZUQIF-SFHVURJKSA-N 361.405 3.781 0 40 FHAB C[C@H](c1ccc(F)cc1F)N1CCC(C(=O)Nc2nccs2)CC1 58162284 BFLAQFBOOSPXTR-LLVKDONJSA-N 351.422 3.833 0 40 FHAB COc1c(Br)cc(Cl)cc1NC(=O)Cc1c(C)noc1C 27829295 SPIFCIOKMCYCHX-UHFFFAOYSA-N 373.634 3.897 0 40 FHAB C[C@H](NC(=O)CCCNC(=O)c1ccc(Cl)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 102963724 HUZDMXGSUNCYNT-GARXJVFOSA-N 362.901 3.791 0 40 FHAB CCC[C@@H](c1nnnn1C(C)C)N1CCN(c2cc(C)ccc2C)CC1 57670141 KWHVPIGWXKQGNA-SFHVURJKSA-N 356.518 3.534 0 40 FHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)c2cccs2)c(Cl)c1 3315560 ZMHJYIQZSGTSPH-UHFFFAOYSA-N 365.838 3.855 0 40 FHAB O=C(O)Cc1sc(NC[C@H]2CCCO2)nc1-c1ccc(Cl)cc1 3357903 NAOOLFGNCFJGSB-GFCCVEGCSA-N 352.843 3.682 0 40 FHAB Cc1n[nH]c(S[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)n1 11699039 WFOHQYCSPDIGNI-HNNXBMFYSA-N 366.490 3.823 0 40 FHAB Cc1c(-c2cccs2)nn2c(O)cc([C@@H](C)Cn3nccc3C)nc12 100775784 RFFQYIHQXVQKPN-NSHDSACASA-N 353.451 3.780 0 40 FHAB CC[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(C)cc1 20490336 BACYSVCCKDAQAS-IBGZPJMESA-N 372.490 3.551 0 40 FHAB COc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)cc1Cl 3472381 XDZPDYABAUAXIA-KRWDZBQOSA-N 360.841 3.742 0 40 FHAB CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(C)ccc2O)cc1 12927230 JIAXTCCTQQWAME-CQSZACIVSA-N 369.417 3.867 0 40 FHAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)c(C)c1 12980593 WNDUGEMKGVYPRL-UHFFFAOYSA-N 372.490 3.777 0 40 FHAB COc1ccc([C@H]2CCCN2CC(=O)N(C)Cc2ccsc2)c(OC)c1 12921919 JJSFRDMXQIUARZ-GOSISDBHSA-N 374.506 3.561 0 40 FHAB O=C(CCNC(=O)c1ccco1)Nc1cccc(C2SCCS2)c1 12999692 BATHWCKLZGDOAM-UHFFFAOYSA-N 362.476 3.517 0 40 FHAB CCCn1nc(C(=O)Oc2ccc(C(=O)CC)cc2)c2ccccc2c1=O 3603391 BBTBWZKJEAMXLM-UHFFFAOYSA-N 364.401 3.618 0 40 FHAB Cc1ccc2[nH]c(C)c(CC(=O)/N=c3\[nH]c4cc(Cl)ccc4n3C)c2c1 63982263 RDKVKXCLLRMEEU-UHFFFAOYSA-N 366.852 3.928 0 40 FHAB CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCC2)cc1 4066324 HUZSRMOAHWQRAD-GOSISDBHSA-N 358.438 3.589 0 40 FHAB COc1cccc(-c2nc(CC(=O)NC3Cc4ccccc4C3)cs2)c1 13690726 JYPNANQZHAQTHU-UHFFFAOYSA-N 364.470 3.645 0 40 FHAB O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccc(F)c(F)c1 6035505 MXGBTPRMWHFPPG-UHFFFAOYSA-N 352.391 3.542 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC1CCCCC1 39982734 YTLJVNYKXWJUSJ-OAQYLSRUSA-N 366.509 3.542 0 40 FHAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2nc3ccccc3s2)C1=O 4308418 VBEGUFOOKUVGHM-IBGZPJMESA-N 369.421 3.793 0 40 FHAB COc1ccc(OC)c([C@H]2CC(c3cnn(C)c3)=NN2c2ccccc2)c1 13960612 SBSCPMQAUKGBRE-HXUWFJFHSA-N 362.433 3.793 0 40 FHAB COc1ccc(Cl)c(N2C[C@@H](c3nc4ccccc4n3C)CC2=O)c1 5235933 KNKBFYDSHBHTNX-LBPRGKRZSA-N 355.825 3.756 0 40 FHAB O=C1OCC2=C1[C@@H](c1ccc(O)cc1)CC(=O)N2c1ccc(F)c(Cl)c1 5246091 OWLWFRKHWSSABS-CYBMUJFWSA-N 373.767 3.516 0 40 FHAB O=S(=O)(Nc1cccc2[nH]ccc12)c1ccc(Br)cc1 65591117 MXOQRSLAWYLLCA-UHFFFAOYSA-N 351.225 3.731 0 40 FHAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2cc(F)ccc2[nH]1 5346823 AWKZXZUXQDPTGD-UHFFFAOYSA-N 351.425 3.701 0 40 FHAB O=C(NCC1(N2CCCCC2)CCCCC1)c1cccnc1N1CCCC1 14117253 UPPONLWZLZRZOG-UHFFFAOYSA-N 370.541 3.600 0 40 FHAB CS(=O)(=O)N1CCc2cc(-c3csc(-c4ccccc4)n3)ccc21 14158836 KVXMLAPOLCTRQD-UHFFFAOYSA-N 356.472 3.799 0 40 FHAB CC(=O)NCc1ccc(-c2csc(NC(=O)C3CCCCC3)n2)cc1 14166673 GMEDPNVWPDVBGB-UHFFFAOYSA-N 357.479 3.965 0 40 FHAB CC(C)(C)c1cc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)on1 6609268 QCHKJYRGLLKYKC-UHFFFAOYSA-N 366.343 3.979 0 40 FHAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccc(O)cc2)S1 96117470 OINHZXXIAXFGON-BBRMVZONSA-N 373.478 3.898 0 40 FHAB CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)Nc3nc4ccccc4n32)cc1 4735530 DREMDXUDSNHAQK-LJQANCHMSA-N 363.417 3.897 0 40 FHAB COc1ccc([C@@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)C2CC2)cc1 4816481 INYMLPOUUCUINX-VQTJNVASSA-N 374.444 3.764 0 40 FHAB COc1cc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2)ccc1N1CCCC1=O 67032425 MMVUONPLOGIXQK-IRXDYDNUSA-N 368.408 3.703 0 40 FHAB COc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(C)nc3c2)cc1Cl 6953115 MMOHNYYTZVPEJQ-UHFFFAOYSA-N 374.853 3.660 0 40 FHAB Cc1cc(C)c2c(n1)sc1c(=O)n(CCOc3ccc(F)cc3)cnc12 7256051 PXTZOAKPNIODED-UHFFFAOYSA-N 369.421 3.841 0 40 FHAB Cc1nc(C)c(C(=O)OCC(=O)N[C@H](C)c2cc3ccccc3o2)s1 7401766 ATQFWHOMHZMFBG-SNVBAGLBSA-N 358.419 3.540 0 40 FHAB NC(=O)c1ccc(NC(=O)COc2ccc3oc4ccccc4c3c2)cc1 7647084 NIDSBHGAMHQRCJ-UHFFFAOYSA-N 360.369 3.702 0 40 FHAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)Cc2c(F)cccc2Cl)c1 7796615 HUWATFQCCNDDKO-UHFFFAOYSA-N 362.832 3.736 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cc1ccccc1F 7824457 ATEWORQTPFZAOA-UHFFFAOYSA-N 351.425 3.546 0 40 FHAB CC1CCN(C(=O)Cn2c(NCc3ccccc3)nc3ccccc32)CC1 8012968 MCGYKCFYFPRXMI-UHFFFAOYSA-N 362.477 3.907 0 40 FHAB COc1ccc(CC(=O)Sc2nnc(-c3ccc(OC)cc3)o2)cc1 408692446 MRVLNNQKNQHOOM-UHFFFAOYSA-N 356.403 3.615 0 40 FHAB O=C(NCCSc1ccc(Cl)cc1)c1cc2ccccc2oc1=O 8125141 YRKMCUDKGXCKNR-UHFFFAOYSA-N 359.834 3.969 0 40 FHAB O=C(Nc1ccc(F)cc1)[C@H](Sc1nnnn1C1CC1)c1ccccc1 8230981 FCVWPSYRFSPDIS-MRXNPFEDSA-N 369.425 3.619 0 40 FHAB CSc1ncccc1C(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 17368054 DCWBHFITUCUICB-KRWDZBQOSA-N 358.463 3.702 0 40 FHAB C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)c2ccc(F)cc2Br)C1 95940618 NXNNGXCDBNAKJN-GTNSWQLSSA-N 372.278 3.895 0 40 FHAB COc1ccc(-c2cc(-c3nc(-c4ccc5c(c4)OCO5)no3)n[nH]2)cc1 9638086 LAZCCZIDNPBPRW-UHFFFAOYSA-N 362.345 3.531 0 40 FHAB O=C(NCc1ccc(F)cc1)NCc1ccc(COCC(F)(F)F)cc1 9756786 KUESRKDWQROHJR-UHFFFAOYSA-N 370.346 3.904 0 40 FHAB Nc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1N1CCOCC1 20154069 JIMIRFSVDVCYQN-UHFFFAOYSA-N 366.248 3.665 0 40 FHAB O=C(Nc1ccc(C(=O)Nc2cccc(-c3ncco3)c2)cc1)NC1CC1 89780567 DRMGOBRERGTZQI-UHFFFAOYSA-N 362.389 3.878 0 40 FHAB COc1cccc2cc(C(=O)NCc3ccccc3-n3ccnc3C)oc12 20492064 VBBGMKMSTZQTOF-UHFFFAOYSA-N 361.401 3.866 0 40 FHAB CS(=O)(=O)Nc1cc(C(=O)Nc2cccc(Cl)c2)ccc1Cl 61341692 CSIOTJSEFSQYPU-UHFFFAOYSA-N 359.234 3.617 0 40 FHAB O=C(Nc1ccc2sc(C(=O)N3CCOCC3)cc2c1)c1cccs1 408713380 VTSPJOODUXNOTQ-UHFFFAOYSA-N 372.471 3.688 0 40 FHAB O=C1C=C(Nc2cccc3c2ccn3Cc2c(F)cccc2Cl)CN1 524732585 CWNMIZCYFXVTFO-UHFFFAOYSA-N 355.800 3.908 0 40 FHAB CCCn1cc(-c2cc(O)n3nc(COC)c(-c4ccccc4)c3n2)cn1 72391385 WVPXETKIJAFUHN-UHFFFAOYSA-N 363.421 3.522 0 40 FHAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccccc2C)c(F)c1F 408628469 UBNZRZXURCLQOG-UHFFFAOYSA-N 372.343 3.687 0 40 FHAB COc1cccc(NC(=O)c2cc(OC)c(OC)cc2-n2cccc2)c1 36365241 GMIWRUXFLWVCHJ-UHFFFAOYSA-N 352.390 3.755 0 40 FHAB Cc1nc(N2CCOCC2)ccc1[C@@H]1CCCCN1C(=O)c1ccccc1 72219661 DLTCEAVCHLSKAG-FQEVSTJZSA-N 365.477 3.594 0 40 FHAB O=S(=O)(c1ccc(Cl)cc1)[C@@H]1[C@H](CO)[C@@H]1c1cccc(Cl)c1 218589910 KAANBJQCTHHYLY-OWCLPIDISA-N 357.258 3.542 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1F 32585751 SVGTVZLVUQFOHU-UHFFFAOYSA-N 350.198 3.942 0 40 FHAB Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN2C(=O)C2CCCC2)n1 72354818 XRAAIEUZWFNRGD-KRWDZBQOSA-N 354.429 3.719 0 40 FHAB COc1ccc(-c2ccc(=O)n(Cc3cccc(Br)c3)n2)cc1 40283324 CHFHXYNLNUTCEG-UHFFFAOYSA-N 371.234 3.730 0 40 FHAB CCCCCCn1ccc2nc3ncnn3c(-c3ccc(F)cc3)c2c1=O 40398294 PYNKUOXLMTZISJ-UHFFFAOYSA-N 365.412 3.826 0 40 FHAB CCOC(=O)c1cc(NC(=S)NCCCOC(C)C)ccc1Cl 225375858 WCBZBVQUMGYFDD-UHFFFAOYSA-N 358.891 3.618 0 40 FHAB COCCn1c(C)cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222610885 JODIEFLECAOFNF-KYNGSXCRSA-N 370.522 3.736 0 40 FHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 225719038 HXIDATGRJDYCNQ-FQEVSTJZSA-N 370.468 3.700 0 40 FHAB Cc1cccc(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)C)c1 225515687 RWVKAJCLMJEHSO-LJQANCHMSA-N 366.505 3.788 0 40 FHAB C[C@@H](NC(=O)Nc1cccc(I)c1)c1ccccn1 48470839 YEINZWYEGRAKJD-SNVBAGLBSA-N 367.190 3.569 0 40 FHAB CCc1ccc(CNC(=O)C(=O)Nc2ccccc2C(F)(F)F)cc1 192678226 MEXVREWQIOXABY-UHFFFAOYSA-N 350.340 3.523 0 40 FHAB CCOc1ccccc1C(=O)Nc1nn2c(-c3ccccc3)nnc2s1 41076429 OJFMJLYZXRNIKE-UHFFFAOYSA-N 365.418 3.504 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 139485008 RWSZODRLYIJQSP-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB CCCC[C@@H](CC)CNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 224396526 ZWMQVNIGCUSOLU-GFCCVEGCSA-N 360.907 3.658 0 40 FHAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(Br)cc1C 227116619 MDEKWLOCCMZXOY-UHFFFAOYSA-N 370.268 3.875 0 40 FHAB CCOc1cnc(-c2noc(C(C)(C)Oc3ccc(Cl)cc3)n2)cn1 578677876 QIPDYQQXTWRKBT-UHFFFAOYSA-N 360.801 3.893 0 40 FHAB Cc1c([C@H](NCc2ccccc2S(N)(=O)=O)C(C)C)oc2ccccc12 585084844 WAQAWDBIAOXDBX-LJQANCHMSA-N 372.490 3.876 0 40 FHAB CCc1oc2ccccc2c1CC(=O)NCc1cc(F)cc2c1OCOC2 528357730 BWBKAPHYDMNZTF-UHFFFAOYSA-N 369.392 3.860 0 40 FHAB COc1ccc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCCC[C@H]3O2)cc1OC(F)F 257301888 SAKDYNQTZSVMHZ-KLZNWCGWSA-N 369.408 3.822 0 40 FHAB NC(=O)c1ccc(-c2ccc([C@@H]3CCCCN3Cc3ccccn3)cn2)cc1 257210751 BWAOUMRSDXSZAT-QFIPXVFZSA-N 372.472 3.970 0 40 FHAB Cc1ccc2c(c1)[C@@H](NC(=O)CNC(=O)Cc1cccc3ccccc13)CC2 592883481 MIYIXZQKRFRMSK-QFIPXVFZSA-N 372.468 3.611 0 40 FHAB O=C(/C=C/c1ccccc1Cl)N1CC(c2nc(-c3ccco3)no2)C1 90567348 IDLRDVVJYLMJLO-BQYQJAHWSA-N 355.781 3.622 0 40 FHAB O=C(Cc1csc2ccc(Br)cc12)NCC1CSC1 616050611 DKUIJCIRBZJRQK-UHFFFAOYSA-N 356.310 3.686 0 40 FHAB O=C(NC[C@@H](OC1CCCC1)C(F)(F)F)c1ccncc1C(F)(F)F 617649568 FTLRHYZBTDFPLZ-GFCCVEGCSA-N 370.293 3.720 0 40 FHAB O=c1cc(CN2CCN(c3ccccc3)CC2)c2cc3c(cc2o1)CCCC3 54220020 PJLBWVHQXOCJLP-UHFFFAOYSA-N 374.484 3.994 0 40 FHAB biogenic Cc1ccc(NC(=O)Nc2ccc(OCCN3CCOCC3)cc2)cc1C 1202826701 IBZLADGHXIDYOJ-UHFFFAOYSA-N 369.465 3.658 0 40 FHAB CO[C@](C)(CNC(=O)c1cc2ccccc2oc1=O)c1cccc(Cl)c1 96392564 HWTHUNPXSRVTHY-HXUWFJFHSA-N 371.820 3.738 0 40 FHAB Cc1ccc(-c2cnc(CCC(=O)NCCn3cnc4ccccc43)o2)cc1 58182172 GGYXXBUDMNUJPT-UHFFFAOYSA-N 374.444 3.749 0 40 FHAB CCOC(=O)C1CCN(C(=O)Nc2ccc(OC3CCCC3)cc2)CC1 40104977 BMAPTPPMWGOZBZ-UHFFFAOYSA-N 360.454 3.815 0 40 FHAB Cc1ocnc1C(=O)N1CCC[C@@]12CN(c1cccc(F)c1)C(C)(C)C2 1615152660 BPIRPCBHHGDLAT-HXUWFJFHSA-N 357.429 3.786 0 40 FHAB Cc1cnc(C(=O)N2CCC[C@]23CN(c2ccc(F)cc2)C(C)(C)C3)cn1 1615118544 GBYMXIKFJNGQIP-NRFANRHFSA-N 368.456 3.588 0 40 FHAB C[C@@H](NC(=O)c1cnn(C)c1Cc1ccccc1)c1cc2cnccc2o1 1596148369 RVQTYLGUCYWFMO-CQSZACIVSA-N 360.417 3.643 0 40 FHAB CCn1ccnc1SCC(=O)Nc1ccc(Br)cc1C 11890354 PNELQQPEDSVPQN-UHFFFAOYSA-N 354.273 3.705 0 40 FHAB COc1ccc(C)cc1NC(=O)COc1ccccc1Br 5750548 RPIJNGJSKMDCAQ-UHFFFAOYSA-N 350.212 3.784 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)Cc2nc(-c3ccccc3)oc2C)c1 12793356 HSLKLUNGDSLJBH-UHFFFAOYSA-N 364.401 3.926 0 40 FHAB CC(=O)c1cccc(NC(=O)COc2cc3ccccc3cc2C(=O)O)c1 13049722 KXRCCJKTXNLLHO-UHFFFAOYSA-N 363.369 3.758 0 40 FHAB CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OC[C@H](O)CO 13546140 HDIFHQMREAYYJW-ASOYJQDNSA-N 372.546 3.891 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)N(C)CCOc3ccc(F)cc3)cc2)n1 16173568 WNRAYZPCSSWWOI-UHFFFAOYSA-N 367.424 3.779 0 40 FHAB CCN1CCC[C@H]1CN(Cc1ccncc1)Cc1ccc(OC)c(OC)c1 19527216 IDLPUGQVDBTYMP-FQEVSTJZSA-N 369.509 3.585 0 40 FHAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)c2cc(C)c(C)[nH]c2=O)n1 19566790 RKBWSOYRHYWAEI-OAHLLOKOSA-N 373.503 3.532 0 40 FHAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)N1CCCCCC1 1332898 VSFQJFQFRXMUEM-UHFFFAOYSA-N 356.451 3.713 0 40 FHAB O=C(COc1ccc2c(c1)CCC2)NCC1(N2CCCCC2)CCCCC1 2634958 XMEISIYBKSUJQJ-UHFFFAOYSA-N 370.537 3.859 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(Br)cc2)cc1 7305773 CNXBQLINSSKHHB-GFCCVEGCSA-N 354.269 3.797 0 40 FHAB CCc1ccc(/C=C/C(=O)N(C)Cc2cc(=O)[nH]c3ccccc23)s1 9216292 ADABIKHCWSXCAK-ZHACJKMWSA-N 352.459 3.824 0 40 FHAB CCn1c(O)c(C(=O)Nc2cc(Cl)ccc2OC)c(=O)c2ccccc21 5909325 AZPUXJKWSVODQP-UHFFFAOYSA-N 372.808 3.641 0 40 FHAB Nc1cccc(S[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 13576209 GPDYNNNXEGJNOK-AWEZNQCLSA-N 367.257 4.000 0 40 FHAB O=C(Nc1cccc(CN2CCOC2=O)c1)c1ccccc1C(F)(F)F 40121479 QRZZAGWJCZEMLQ-UHFFFAOYSA-N 364.323 3.910 0 40 FHAB C/C=C/C=C/C(=O)Nc1ccc(OCC(=O)N(CC)CC)c(Cl)c1 31955230 LYTZVWOPISOZLU-NUXDXBQRSA-N 350.846 3.658 0 40 FHAB C[C@H](C(=O)N1CCN(C)CC1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 20624358 GTRQTKJYOSAIOM-ZDUSSCGKSA-N 355.869 3.852 0 40 FHAB CCOc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1O 101514436 JCHUDONHCYBNGM-ZSOIEALJSA-N 358.781 3.542 0 40 FHAB C[C@H](NC(=O)CCc1nc(-c2ccccn2)no1)c1cccc(Cl)c1 32687267 GFYYWIKUGMQKHB-LBPRGKRZSA-N 356.813 3.595 0 40 FHAB NC(=O)c1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1Cl 32769479 VRDSMDMHIXHQQE-UHFFFAOYSA-N 356.731 3.639 0 40 FHAB CS(=O)(=O)c1cccc(Oc2ncnc3sc4c(c23)CCCC4)c1 52332816 MOGRQPCLWLDLNB-UHFFFAOYSA-N 360.460 3.766 0 40 FHAB CC(C)N(CCNC(=O)Cc1csc(-c2cccs2)n1)C(C)C 32841434 IREZHRFCBLXDAL-UHFFFAOYSA-N 351.541 3.649 0 40 FHAB COc1ccc(-c2n[nH]c(SCc3nnc(-c4cccs4)o3)n2)cc1 32945218 NNDKCBSRKFQMAL-UHFFFAOYSA-N 371.447 3.884 0 40 FHAB COc1cc(OC)c(NC(=O)c2ccc(OC)c(OC)c2)cc1Cl 682335 IXHXHLXZVGRNCM-UHFFFAOYSA-N 351.786 3.627 0 40 FHAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)NCCc3ccccc3F)c12 22506752 AFBUSVQJWIKFIF-UHFFFAOYSA-N 354.429 3.512 0 40 FHAB COc1cc2ccccc2cc1C(=O)Nc1sc2c(c1C(N)=O)CCC2 798642 FDGBDTLKSGBJTF-UHFFFAOYSA-N 366.442 3.750 0 40 FHAB COC(=O)c1c(NC(=O)C(C)C)sc(C(=O)Nc2ccccc2)c1C 871480 PJONUQLOLKDDAL-UHFFFAOYSA-N 360.435 3.690 0 40 FHAB CCNC(=O)c1ccc(NC(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)cc1 77274025 DQYZQBPRJUCXKZ-RHSMWYFYSA-N 369.440 3.985 0 40 FHAB Cc1nc2ccccc2n1CCNC(=O)N1CCC[C@@H]1c1cccs1 53987894 YFCCQEXEPXQLRS-QGZVFWFLSA-N 354.479 3.953 0 40 FHAB Cc1cccc(C)c1OCC(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 78758619 YRKNEGKBZHNXHJ-GOSISDBHSA-N 356.441 3.607 0 40 FHAB CCC(=O)N(Cc1cccs1)Cc1cc2cccc(C)c2n2nnnc12 1376806 HUMXUCIOTOOFRF-UHFFFAOYSA-N 365.462 3.586 0 40 FHAB CC(C)(C)NC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 901997 QICAEKNDAOYVQS-UHFFFAOYSA-N 359.373 3.762 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)N1CCN(Cc2ccccc2F)CC1 23441213 IYWIXZUZFSCXGS-UHFFFAOYSA-N 365.452 3.584 0 40 FHAB C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)/C=C/c2ccco2)CC1 23918579 BMXLHNHBNPSFBD-HVHJFMEUSA-N 367.474 3.808 0 40 FHAB CCn1c(COc2cccc(C)c2)nnc1SCCN1CCCCC1 4936972 IAWVCHSQKGEYOV-UHFFFAOYSA-N 360.527 3.763 0 40 FHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)CCSCC(C)C)c(C)c1 42883747 IXVQKEOFTJOYGX-UHFFFAOYSA-N 350.528 3.788 0 40 FHAB CC(=O)c1cccc(NC(=O)CSc2nc(C)c3ccccc3n2)c1 6527695 PFUXBRBOKONPFR-UHFFFAOYSA-N 351.431 3.872 0 40 FHAB COc1ccc(NC(=O)COc2cccc(C)c2)cc1Br 6924299 JYDZPXILBKOXMO-UHFFFAOYSA-N 350.212 3.784 0 40 FHAB Cc1ccccc1-c1nnc(SCc2nc(N)c3ccccc3n2)n1C 12534238 OWQDDUXYMBXXKB-UHFFFAOYSA-N 362.462 3.608 0 40 FHAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 84667582 DVXUHWVUZVXZIP-GJZGRUSLSA-N 372.517 3.626 0 40 FHAB COc1ccc(C(=O)NC[C@@H](C)OC23CC4CC(CC(C4)C2)C3)cc1OC 8816167 QGKUAMNDSDDPNK-XSXQVXRUSA-N 373.493 3.808 0 40 FHAB CC(=O)Nc1ccc(C)c(NCC(=O)Nc2ccccc2OC(F)F)c1 55841789 FRTYOKXROJZNBC-UHFFFAOYSA-N 363.364 3.605 0 40 FHAB CN(CCOc1ccc(Cl)cc1)Cn1nc(C(C)(C)C)[nH]c1=S 25452460 LCBCAKDRGPLMHV-UHFFFAOYSA-N 354.907 3.860 0 40 FHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(C(=O)N2CCSCC2)c1 107348342 HEQOVSMHSCDIRF-YQQAZPJKSA-N 358.507 3.640 0 40 FHAB Cc1ccc(-c2csc3ncnc(Nc4cnn(CCO)c4)c23)cc1C 57148976 SPDIBSMTFSSLOR-UHFFFAOYSA-N 365.462 3.908 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N[C@H](C)c2ccc(F)cc2F)c1C 57713717 UOORAWRKVNFJMO-PWSUYJOCSA-N 364.392 3.618 0 40 FHAB COc1ccccc1N1CC[C@@H](CNC(=O)Nc2cccc(C(C)=O)c2)C1 58198471 SNSRJCDLAHMJAA-INIZCTEOSA-N 367.449 3.546 0 40 FHAB Cc1sc(NC(=O)Cc2coc3cc4c(cc23)CCC4)c(C(N)=O)c1C 58191784 AZCBVYJGPSVPFD-UHFFFAOYSA-N 368.458 3.880 0 40 FHAB CCOc1cccc([C@H](C)NC(=O)NCc2ccc(N3CCCC3)nc2)c1 58230109 JLHWBRHRHCKESY-INIZCTEOSA-N 368.481 3.641 0 40 FHAB COc1ccccc1NC(=O)c1cc(=O)c2ccc(Br)cc2o1 27793947 QCZYTBAKHQUJFZ-UHFFFAOYSA-N 374.190 3.816 0 40 FHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Oc2cc(C)ccc2C)c1 27936896 FJTAMWPBXZRLQD-UHFFFAOYSA-N 354.811 3.511 0 40 FHAB COCCNc1ncnc2c1oc1nc(CC(C)C)c3c(c12)CCCC3 2204059 RNKXJRPXGYICJA-UHFFFAOYSA-N 354.454 3.907 0 40 FHAB O=C(COC(=O)Cc1cccc2ccccc12)NCc1ccccc1Cl 3310319 LEZMTLNBDANZTR-UHFFFAOYSA-N 367.832 3.895 0 40 FHAB Cc1nccn1-c1ccc(NC(=O)[C@H]2CCCN2Cc2ccccc2)cc1 28240683 CQCLZDAMYACAEG-OAQYLSRUSA-N 360.461 3.784 0 40 FHAB Cc1ccc(CNC(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1 36396446 RQGSJQVAVHWTAS-UHFFFAOYSA-N 366.490 3.637 0 40 FHAB CCOC(=O)c1sc(C)c2c(=O)n(Cc3ccc(Cl)cc3)cnc12 2352541 IGUXTRXIXZSMRZ-UHFFFAOYSA-N 362.838 3.645 0 40 FHAB CC(C)CN1CCC(NC(=O)N[C@@H](C)c2ccccc2OC(C)C)CC1 45463383 JOSMNKMXACTVSX-KRWDZBQOSA-N 361.530 3.954 0 40 FHAB CCCSc1nc(NCCCO)c2c3c(sc2n1)COC(C)(C)C3 2420746 NLAQHNHDANYYNA-UHFFFAOYSA-N 367.540 3.839 0 40 FHAB Cc1cnc2c(S(=O)(=O)N3CCC[C@H](C(F)(F)F)C3)cccc2c1 29317798 DJJLVRALBZHHQZ-ZDUSSCGKSA-N 358.385 3.506 0 40 FHAB CCCCc1ccc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1 10002876 KSPUSNZTKQFJDR-UHFFFAOYSA-N 363.461 3.808 0 40 FHAB COc1ccc2cc(C(=O)Nc3nc4ccccc4s3)c(=O)oc2c1 10131273 QNDMHFRBVKCBQR-UHFFFAOYSA-N 352.371 3.664 0 40 FHAB CCOC(=O)c1ccc(N2CCC(c3nc4ccccc4[nH]3)CC2)nc1 29527993 QXZFVBGQPXEQKW-UHFFFAOYSA-N 350.422 3.519 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(F)cc1F 10903476 AUQUCZOVRDNIMF-UHFFFAOYSA-N 355.388 3.756 0 40 FHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCO[C@@H]2CCCC[C@H]21 46489034 JSUQXQFPEDDLRZ-ZIAGYGMSSA-N 364.511 3.825 0 40 FHAB C[C@@H](Sc1nc(C2CCCC2)n[nH]1)C(=O)NCc1ccc(Cl)cc1 12104209 ZCSADDZRUGWDOB-LLVKDONJSA-N 364.902 3.913 0 40 FHAB C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(-n2cncn2)cc1 25449625 KTFQDQSRUUTUJA-GFCCVEGCSA-N 360.339 3.777 0 40 FHAB O=C(CCn1cnc2sccc2c1=O)Nc1ccc(Cl)cc1Cl 12822351 ONBMPCKLGCLABY-UHFFFAOYSA-N 368.245 3.794 0 40 FHAB O=C(CNc1ccc(Cl)cc1)Nc1cc(Cl)ccc1-n1cncn1 12927460 XDGPAMYNZTZKIK-UHFFFAOYSA-N 362.220 3.625 0 40 FHAB Cc1cc(Cl)ccc1OCCCC(=O)N1CC(=O)Nc2ccccc21 12933229 GNOJXHCILIEXCD-UHFFFAOYSA-N 358.825 3.793 0 40 FHAB C[C@H](NCc1ccccc1Cl)c1ccc(OCC(=O)NC2CC2)cc1 48744633 XOTFJZBPQRISRX-AWEZNQCLSA-N 358.869 3.848 0 40 FHAB CN(Cc1ccccc1Br)C(=O)c1cc2ccccc2oc1=O 13006443 YLGAXUWMYCGRAC-UHFFFAOYSA-N 372.218 3.828 0 40 FHAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc2nc(C(F)(F)F)[nH]c2c1 13688808 TWENYMDCFWDMGP-UHFFFAOYSA-N 363.295 3.605 0 40 FHAB COc1ccccc1C(=O)O[C@H](C(=O)Nc1cc(C)on1)c1ccccc1 9112747 IEWIYGBBMLDMGM-SFHVURJKSA-N 366.373 3.528 0 40 FHAB COc1cc(CCC(=O)Nc2nc(-c3cccnc3)cs2)cc(OC)c1 9114274 SPSLEEOFMPXWTJ-UHFFFAOYSA-N 369.446 3.794 0 40 FHAB CCCN1C(=O)N/C(=C/c2ccc(OC(C)C)c(Br)c2)C1=O 409237897 JJBALRZAPFXSGY-UKTHLTGXSA-N 367.243 3.539 0 40 FHAB O=C1CSc2ccc(C(=O)OCCOc3ccc(Cl)cc3)cc2N1 4581626 AVQUSFHFZIYZCE-UHFFFAOYSA-N 363.822 3.620 0 40 FHAB Cc1nc2ccc(NC(=O)CCCn3c(=O)oc4ccccc43)cc2s1 5578220 ZLJALGAQDMZGDZ-UHFFFAOYSA-N 367.430 3.932 0 40 FHAB C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1csc(-c3ccc(F)cc3)n1)C2=O 14845284 CZVXIMRRDCLQPH-CWTRNNRKSA-N 373.453 3.950 0 40 FHAB COc1ccccc1NC(=O)COC(=O)c1cc2c(s1)CC[C@H](C)C2 5773691 AWZKPLDUOVEOCZ-LBPRGKRZSA-N 359.447 3.677 0 40 FHAB CCn1nc(NS(=O)(=O)c2ccccc2)c2cc3ccc(C)cc3nc21 9317202 OUKYRWXRHRIFMF-UHFFFAOYSA-N 366.446 3.714 0 40 FHAB Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)Nc1ccc2c(c1)OCO2 7597939 NLESUUOCRQCOSH-FNORWQNLSA-N 361.829 3.882 0 40 FHAB CC(=O)c1cccc(NC(=O)CN2CCC(OCc3ccccc3)CC2)c1 9390297 JNNTZQNQDHZFIS-UHFFFAOYSA-N 366.461 3.509 0 40 FHAB COc1ccc(NC(=O)[C@H](Sc2ncccn2)c2ccccc2)cc1 16747465 OQGSIHBUJRRYEX-QGZVFWFLSA-N 351.431 3.957 0 40 FHAB Cc1noc(C)c1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 8245462 PAHXUOKNHZXGDA-UHFFFAOYSA-N 351.410 3.529 0 40 FHAB CC[C@H](C)c1ccccc1NC(=O)CCc1c(C)nc(SC)[nH]c1=O 8768526 WNUUQOUMILFQCU-LBPRGKRZSA-N 359.495 3.885 0 40 FHAB C[C@H](OC(=O)CCCOc1cccnc1)C(=O)c1c[nH]c2ccccc12 72312527 ZRQOMQCCMICJOT-AWEZNQCLSA-N 352.390 3.537 0 40 FHAB CC1CCN(C(=O)c2ccccc2NC(=O)CC2(C(=O)O)CCCC2)CC1 95953186 VTCVLIHIUKIFOT-UHFFFAOYSA-N 372.465 3.532 0 40 FHAB CCOC(=O)c1c(NC(=O)CCNC(C)(C)C)sc2c1CCCC2 9943111 FUIBENVQPPTGQJ-UHFFFAOYSA-N 352.500 3.520 0 40 FHAB CCc1ccc(CN(C(=O)CC2CC2)[C@H](C)C(=O)NC2CCCC2)cc1 67197405 UVVADBDHLLXPRP-MRXNPFEDSA-N 356.510 3.825 0 40 FHAB COc1cc(OC)cc(C(=O)Oc2ccc(-c3ccc(C)cc3)nn2)c1 408531734 XERHSGVKFJTRDR-UHFFFAOYSA-N 350.374 3.688 0 40 FHAB O=C(COC(=O)c1ccccc1F)Nc1nc(-c2ccccc2)cs1 32124913 LEOZQWAPJTYZGV-UHFFFAOYSA-N 356.378 3.745 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38849453 BFTNUOSSJSOJIG-KRWDZBQOSA-N 356.441 3.993 0 40 FHAB CCc1noc(-c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)n1 33012478 BNWZNSJZKSYLTQ-UHFFFAOYSA-N 351.406 3.933 0 40 FHAB CSc1nc(Cl)cc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1 72203400 YBEAWBDOYGOVQY-LLVKDONJSA-N 372.922 3.593 0 40 FHAB COc1cc(CNC(=O)[C@H](C)Oc2ccc(C)cc2)ccc1OC(C)C 218970790 NQWQGWQVCFYLGB-INIZCTEOSA-N 357.450 3.875 0 40 FHAB COc1ccc(Cl)cc1C(=O)NCCCN1CCCc2ccccc21 225040930 INMVXIBUYPYXRI-UHFFFAOYSA-N 358.869 3.921 0 40 FHAB Nc1ccc(N2CCCCC2)c(NC(=O)c2ccc(Br)o2)c1 226254057 IYBKJESSNWPKLB-UHFFFAOYSA-N 364.243 3.867 0 40 FHAB CCc1cc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)ccc1OC 223712255 CYUSOSNKADATJB-UHFFFAOYSA-N 353.871 3.732 0 40 FHAB Cc1c(Br)cnc(NC(=S)NC(C)C)c1Br 223873951 XDOHBTAZZYCFHO-UHFFFAOYSA-N 367.110 3.610 0 40 FHAB CCCCC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 195529027 JOVFXTNURQPEHB-BBRMVZONSA-N 356.869 3.547 0 40 FHAB COc1cccc(O[C@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)c1 225631484 SIFHXHRTUALPBP-GFCCVEGCSA-N 353.340 3.798 0 40 FHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccccc1F 222778100 MCOVBFNNHBEDDK-INIZCTEOSA-N 359.397 3.632 0 40 FHAB CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCOC)c1C 223048822 FSUXOWCDGFIPTE-RTBURBONSA-N 372.538 3.529 0 40 FHAB O=C(NCc1ccccc1F)c1cc(-c2ccc(Br)cc2)[nH]n1 44838907 GAOPDGIYIWXVCH-UHFFFAOYSA-N 374.213 3.908 0 40 FHAB O=C(Cn1ccc2c(Br)cccc21)NC1Cc2ccccc2C1 40268328 PFDQFFRUPQJUOL-UHFFFAOYSA-N 369.262 3.687 0 40 FHAB Cc1c(C(=O)Nc2cccc3ccccc23)cccc1N(C)S(C)(=O)=O 222426702 TUBQCKGDOMHTED-UHFFFAOYSA-N 368.458 3.796 0 40 FHAB CCCCOc1ccc(NC(=O)C(C)(C)OCCC)cc1C(=O)OC 225837495 SWRWYDSMMRBMSZ-UHFFFAOYSA-N 351.443 3.796 0 40 FHAB CCc1cnc(N2CCC3(CC2)CCn2c(-c4ccccc4)cnc23)nc1 96243533 DLOOCCKUVSAQLI-UHFFFAOYSA-N 359.477 3.844 0 40 FHAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1ccc(F)c(F)c1F 95477560 DPJJCPHSOLHEAQ-ZDUSSCGKSA-N 357.357 3.599 0 40 FHAB O=C(/C=C\c1cccs1)N1C[C@H](c2ccccc2)[C@@H](c2ncon2)C1 245060744 PZIIEGVBBUMZAM-SJORKVTESA-N 351.431 3.554 0 40 FHAB COc1cccc(NC(=O)N2CCC[C@H](C(=O)N[C@@H]3CCCC[C@H]3C)C2)c1 245227467 OASMZMFZFUKDCS-JTDSTZFVSA-N 373.497 3.634 0 40 FHAB O=C(c1ccnnc1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257245012 INTNVSJHLJCGRQ-SFHVURJKSA-N 366.396 3.562 0 40 FHAB O=C(O)CN(CCc1ccc(F)cc1)C1CCN(c2cccc(F)c2)CC1 257237511 HGVNNJYJKREXHG-UHFFFAOYSA-N 374.431 3.563 0 40 FHAB Cc1csc(Nc2nccnc2C2CCN(Cc3cncs3)CC2)n1 257213016 CFWQLCRPSCIPCH-UHFFFAOYSA-N 372.523 3.821 0 40 FHAB COc1c(C)cc(C(=O)[C@H](Br)CBr)cc1C 382710148 XMGMQMPPQRYZRP-SNVBAGLBSA-N 350.050 3.653 0 40 FHAB Cc1cc(CCNC(=O)N2CCC([C@H]3CCCCO3)CC2)cc(C)c1O 664729589 HCIJNNOTSHULJP-LJQANCHMSA-N 360.498 3.542 0 40 FHAB CSCCc1ccccc1NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 601717721 CLDLRMOOEPUAAS-LJQANCHMSA-N 369.534 3.838 0 40 FHAB O=C1C[C@]2(CCN(C(=O)c3ccc(F)cc3Cl)C2)Oc2ccccc21 96367292 RUZTXFSOZAJMAA-IBGZPJMESA-N 359.784 3.729 0 40 FHAB COc1ccc(C(=O)NC[C@](C)(OC)c2cccc(Cl)c2)cc1F 96392737 UEZVIPKYEZCFRZ-SFHVURJKSA-N 351.805 3.779 0 40 FHAB O=C(c1ccco1)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 390827300 WLAWCWMWBSAXHI-UHFFFAOYSA-N 350.422 3.623 0 40 FHAB COc1ccc(-c2n[nH]c(SCc3ccn(-c4ccccc4)n3)n2)cc1 58156847 FGBSBXQAMSEWSB-UHFFFAOYSA-N 363.446 3.958 0 40 FHAB O=C(CNc1nc(C2CC2)nc2sc3c(c12)CCCC3)N1CCCCC1 60859167 FDPWIIMNWZUFBB-UHFFFAOYSA-N 370.522 3.872 0 40 FHAB Cc1ccccc1NC(=O)Cc1nc(CSc2nccn2C)cs1 39586323 BWXCKVLCHGVZSU-UHFFFAOYSA-N 358.492 3.659 0 40 FHAB Brc1cnccc1O[C@H]1CCN(c2nc3ccccc3o2)C1 1775974892 VTHYHDFFOPALEN-NSHDSACASA-N 360.211 3.643 0 40 FHAB Cc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NC(C)C)cc1 5009992 PNBDDQBYASSLIV-PDGQHHTCSA-N 356.853 3.944 0 40 FHAB O=C(Cc1cccc2ccccc12)NCC(=O)Nc1ccc(F)c(F)c1F 5422445 FIVVRSVNISWARJ-UHFFFAOYSA-N 372.346 3.555 0 40 FHAB Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)NCC3CCCCC3)n2)cc1 5867599 MBJDEVDVFXYNKR-CQSZACIVSA-N 358.511 3.957 0 40 FHAB COc1cccc(OCc2noc3cc(OCC(=O)OC(C)C)ccc23)c1 11854042 FQDNAEMQCYIXQH-UHFFFAOYSA-N 371.389 3.746 0 40 FHAB Cc1c(-c2ccccc2)n[nH]c1C(=O)N[C@H](c1ccccc1)c1ccnn1C 12147217 BIDCROTYUUTXLS-OAQYLSRUSA-N 371.444 3.638 0 40 FHAB Cc1cc(Cl)ccc1Nc1nc(NC[C@@H]2CCCO2)nc2nccnc12 13010888 MFUVXYWTRVEAHM-ZDUSSCGKSA-N 370.844 3.716 0 40 FHAB O=C(CN1C(=O)CSc2ccccc21)Nc1ccc(C(F)(F)F)cc1 15601623 QHOPJPFVKHISDZ-UHFFFAOYSA-N 366.364 3.783 0 40 FHAB COc1cc(CNC(=S)Nc2ccc(C)cc2C)cc(OC)c1OC 18165669 ASGBLVVDNZELIK-UHFFFAOYSA-N 360.479 3.816 0 40 FHAB CC(=O)N1CCC[C@](Cc2ccccc2-c2ccccc2)(C(=O)N(C)C)C1 19016918 APRVXIJFNLVGHA-HSZRJFAPSA-N 364.489 3.613 0 40 FHAB CC(=O)N1Cc2ccccc2O[C@]2(CCCN(Cc3ccc(F)cc3)C2)C1 19019746 CTOYQLVRUVAXLO-QFIPXVFZSA-N 368.452 3.601 0 40 FHAB COc1cccc(CN2CCC[C@H]2c2nnc(-c3ccc(C)nc3)o2)c1 19215098 MWJOTQCAHAITGY-SFHVURJKSA-N 350.422 3.786 0 40 FHAB O=C(NC1CCCCC1)c1cc([C@@H]2CCCN(Cc3cccnc3)C2)no1 19339080 ZOXCYARNKYOZTC-QGZVFWFLSA-N 368.481 3.512 0 40 FHAB CC(C)C(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 19694538 ROONSPGLYOAYAO-INIZCTEOSA-N 370.472 3.711 0 40 FHAB CCn1cc(-c2cc(C(=O)Nc3cc(F)ccc3N3CCCC3)no2)cn1 19719305 SLMARJQWYRKKQE-UHFFFAOYSA-N 369.400 3.550 0 40 FHAB CCc1ccc(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)cc1 19937603 KZQZWIXIYNVYKP-UHFFFAOYSA-N 367.836 3.834 0 40 FHAB O=C1C[C@@H](c2nc(-c3cccc(Cl)c3)no2)CN1Cc1ccccc1 107830795 YVKOFWFWZBKALP-OAHLLOKOSA-N 353.809 3.906 0 40 FHAB COc1cccc(CN2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)c1 19589290 OLEJJCUJONUOFP-YPAWHYETSA-N 354.469 3.897 0 40 FHAB CCC[C@@H](C)NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 3575906 GXVKYYHDPAWXPN-CQSZACIVSA-N 366.417 3.956 0 40 FHAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccncc1 5120450 JAOOKCQMNGPYFQ-VIFPVBQESA-N 364.776 3.793 0 40 FHAB Cc1cc(C)c(NC(=O)Cn2nnc(-c3ccccc3C)n2)c(Cl)c1 6451972 BWOXFOZSHJIHOD-UHFFFAOYSA-N 355.829 3.557 0 40 FHAB CC(C)c1nc2ccccc2n1C1CN(C(=O)COc2ccccc2F)C1 1888959778 BGXPCWUQKULRPI-UHFFFAOYSA-N 367.424 3.761 0 40 FHAB O=C1C[C@@]2(CCCN(Cc3ccccc3F)CC2)Nc2ccccc2CN1 2037978489 YTXZUPCQELXUSD-QFIPXVFZSA-N 367.468 3.682 0 40 FHAB FC(F)(F)c1cccc(OCC2CCN(C[C@@H]3CCCOC3)CC2)n1 585534120 TUINQMAWPOMMHH-HNNXBMFYSA-N 358.404 3.618 0 40 FHAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2)cc1 1511888 VVYMBKMZCNOTEC-UHFFFAOYSA-N 360.479 3.750 0 40 FHAB O=C(NCC1(OCCO)CCCC1)C1(c2ccc(Cl)cc2)CCCC1 952964583 HHWZBGCXRDNXJT-UHFFFAOYSA-N 365.901 3.590 0 40 FHAB Cc1ccc(C(=O)C2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)c(C)c1 40081746 QODCBMUUFUKSKO-UHFFFAOYSA-N 351.450 3.639 0 40 FHAB CCN(C(=O)CS(=O)(=O)Cc1ccccc1Cl)c1ccccc1C 40106066 UABGETKPLKWDPY-UHFFFAOYSA-N 365.882 3.616 0 40 FHAB Cn1cc(-c2noc(C(=O)NCc3ccccc3Cl)n2)c2ccccc21 20716625 GMLXDQJYNALRLO-UHFFFAOYSA-N 366.808 3.812 0 40 FHAB CC(=O)c1ccc(C(=O)OCc2cc(Cl)c3c(c2)OCCO3)s1 32776844 JVIZGXIHDFUYNJ-UHFFFAOYSA-N 352.795 3.732 0 40 FHAB CN1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](c2ccccc2)C1 32759993 UOSWMIFHJMSSHG-IBGZPJMESA-N 353.853 3.950 0 40 FHAB COC(=O)c1cccc(NC(=O)C23C[C@H]4C[C@@H](CC(C(C)=O)(C4)C2)C3)c1 102403530 MRZFSEFBNYQHGB-LDSOLPTJSA-N 355.434 3.587 0 40 FHAB CCC(C)(C)NC(=O)CSc1nc(-c2ccco2)nc(C)c1C(C)=O 32902162 OKBUZDRGGXCSEH-UHFFFAOYSA-N 361.467 3.645 0 40 FHAB CC(=O)c1c(C)nc(-c2ccco2)nc1SCC(=O)N[C@H](C)C(C)C 32902158 JTQJNUHDAPBROX-LLVKDONJSA-N 361.467 3.500 0 40 FHAB CCCN1CC(O)=C(c2nc(-c3ccc(OC)c(OC)c3)cs2)C1=N 102718650 LANIXSZRAIREJQ-UHFFFAOYSA-N 359.451 3.799 0 40 FHAB C[C@H]1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(S)n32)C1 1307495 JNBJTTJQQKGWQM-JTQLQIEISA-N 368.487 3.508 0 40 FHAB COC(=O)C(=O)[C@@]1(CCC(C)=O)c2ccccc2-c2c(C)ccc(C)c21 1618272 CJOBWFVDSQCCQO-QFIPXVFZSA-N 350.414 3.681 0 40 FHAB CC(C)CC(=O)NC(=S)Nc1ccccc1C(=O)NC1CCCCC1 2136683 SNOOATULOITEAX-UHFFFAOYSA-N 361.511 3.608 0 40 FHAB CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 2627262 TULIVOWNWFZIQU-IBGZPJMESA-N 350.462 3.799 0 40 FHAB COc1ccc(-c2csc3ncnc(N4CCC(C(=O)O)CC4)c23)cc1 3391585 DZTIZLGSNOWIMY-UHFFFAOYSA-N 369.446 3.668 0 40 FHAB COc1ccc(Cl)cc1C(=O)OCC(=O)N[C@H]1CCCc2ccccc21 3393931 RKWZBCHKPXVBPS-KRWDZBQOSA-N 373.836 3.699 0 40 FHAB CCc1ccc(Nc2nnc(SCC(=O)N[C@@H](C)CC)s2)cc1 3461245 QQEXNDMATBESPN-NSHDSACASA-N 350.513 3.851 0 40 FHAB Cc1ccc(Nc2nc([C@@]3(C)C[C@]4(C[C@H](C)OC4=O)C(=O)O3)cs2)cc1 3999550 RQAIBCBLYLKLAH-RQUSPXKASA-N 372.446 3.679 0 40 FHAB Cc1nc2cc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)ccc2n1-c1ccccc1 4134938 OJQHCTGZCDSFSS-RWFYYTQISA-N 369.424 3.645 0 40 FHAB CC(C)(C)OC(=O)N1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1 4699271 TVWBZPMRDIDEIG-SFHVURJKSA-N 358.482 3.827 0 40 FHAB CCCN1C(=O)[C@](O)([C@@H](C)C(=O)c2ccc(Cl)cc2)c2ccccc21 4724183 NVUAHCRZARSCNP-RBZFPXEDSA-N 357.837 3.803 0 40 FHAB C[C@H](OC(=O)c1cc2c(s1)CCCC2)C(=O)N1CCc2ccccc21 5307567 IXCVGICWMJSMNN-ZDUSSCGKSA-N 355.459 3.762 0 40 FHAB CCCCOc1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1 5946340 CJHFCZYNSGYURP-UHFFFAOYSA-N 367.493 3.870 0 40 FHAB CC(=O)Oc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 6296319 QVWUQRYGLIACCS-LICLKQGHSA-N 371.389 3.988 0 40 FHAB COc1ccc(C(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc1 6457639 VEEZLVBAPVIRDY-UHFFFAOYSA-N 372.380 3.748 0 40 FHAB COc1ccccc1/C=C/C(=O)Nc1cnn(Cc2ccc(F)cc2)c1 6519387 DCDZROOACAHALO-DHZHZOJOSA-N 351.381 3.731 0 40 FHAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccc(C(=O)O)cc1 6650734 KTKVJBBSJFEJAK-UHFFFAOYSA-N 361.810 3.645 0 40 FHAB O=C(NC1CC1)[C@@H](Oc1ccc(Br)cc1F)c1ccccc1 7142703 CEAJFUXSOSMVQB-INIZCTEOSA-N 364.214 3.987 0 40 FHAB COc1cc(C)c(N[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1OC 7370320 XOZIMDXXHXLDSN-ZDUSSCGKSA-N 358.438 3.843 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)c1c(-c2ccccc2)noc1C 7758287 OASDPXBGISOGLK-UHFFFAOYSA-N 365.389 3.869 0 40 FHAB O=C(Nc1ccccc1)c1ccc(Cn2cnc3sccc3c2=O)cc1 8244403 OQLZVLCFAVWDJV-UHFFFAOYSA-N 361.426 3.759 0 40 FHAB C[C@H](Sc1ccc(Br)cc1)C(=O)NC(=O)NC1CCCC1 8337743 MCUVUXRZMSKJPZ-JTQLQIEISA-N 371.300 3.698 0 40 FHAB O=C(CSc1ncccn1)N1c2ccccc2OC[C@@H]1c1ccccc1 8499832 SHZOQADMHUYPBB-QGZVFWFLSA-N 363.442 3.736 0 40 FHAB CCCCOc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1 8716694 RNOGUFZSTQFBIF-QGOAFFKASA-N 350.443 3.636 0 40 FHAB Nc1nc(CSc2nnc(C3CC3)n2-c2ccccc2)nc2ccccc12 8718308 VGECJJMVSNZBGR-UHFFFAOYSA-N 374.473 3.962 0 40 FHAB COc1ccc(NC2=N[C@H](c3ccccc3)N3C(O)=CC(C)=NC3=N2)cc1 9089949 RJPDQLRUJWSNIU-SFHVURJKSA-N 361.405 3.707 0 40 FHAB Cc1ccccc1-c1noc(CSc2nc3sccc3c(=O)n2C)n1 9503913 PLJALQOYXSIWKU-UHFFFAOYSA-N 370.459 3.646 0 40 FHAB O=C(NCCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 10327119 INJWZZDQDFNNSM-UHFFFAOYSA-N 358.441 3.964 0 40 FHAB CCCCn1c(S[C@H]2CCCCNC2=O)nnc1-c1ccc(OC)cc1 10366232 PFDAGYHSCAFBNS-INIZCTEOSA-N 374.510 3.515 0 40 FHAB COc1ccccc1OCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 11072244 AWMSNHSESQUUBH-UHFFFAOYSA-N 362.429 3.871 0 40 FHAB Cc1ccc(C)c(-c2csc(NC(=O)Cc3c(C)nn(C)c3C)n2)c1 11209991 WKDWXIPWMHKVQT-UHFFFAOYSA-N 354.479 3.958 0 40 FHAB Cc1cc(S(=O)(=O)NCc2ccccc2)c(C)cc1Br 11613739 ZETJTRQMKGSFTJ-UHFFFAOYSA-N 354.269 3.544 0 40 FHAB O=C(NCc1ccc(F)cc1)c1ccc(-n2ccnc2)c(-n2cccc2)c1 12088105 OCVMNJVBPIWDHC-UHFFFAOYSA-N 360.392 3.732 0 40 FHAB O=C(O[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1)c1ccco1 12471483 MEYWQHCMLCYLEN-SFHVURJKSA-N 353.349 3.633 0 40 FHAB Fc1ccc([C@H]2CN(Cn3ncn(-c4ccccc4)c3=S)CCO2)cc1 12522119 LCUJSQIOUYIUCN-GOSISDBHSA-N 370.453 3.573 0 40 FHAB CC(C)n1ncc2cc(C(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)cnc21 12532227 VRSAPPCDDLFJCQ-HNNXBMFYSA-N 374.448 3.689 0 40 FHAB O=S(=O)(c1ccc(Oc2ccc(Cl)cc2Cl)nc1)N1CCCC1 12606256 QRPJZZFXAFDVTA-UHFFFAOYSA-N 373.261 3.965 0 40 FHAB CC(C)C[C@@H](CNC(=O)Nc1cccc2ccccc12)N1CCOCC1 12817683 YSSVTWSXFYCNFM-SFHVURJKSA-N 355.482 3.708 0 40 FHAB C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccc2c(c1)OCCO2 12825611 GKTFPXXOCBKNIQ-ZDUSSCGKSA-N 373.430 3.586 0 40 FHAB COc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1OC 12889351 HJWFRKGUYCDSIH-UHFFFAOYSA-N 353.418 3.794 0 40 FHAB O=C(NC1CCCC1)c1cccnc1Sc1ccc2c(c1)OCCO2 12899410 MNRVJRCWJHSOOI-UHFFFAOYSA-N 356.447 3.676 0 40 FHAB Cc1cc(NC(=O)[C@@H](OC(=O)c2sc(C)nc2C)c2ccccc2)no1 14076146 DPQHISLRWWICOP-HNNXBMFYSA-N 371.418 3.593 0 40 FHAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1 14396658 MPGAAGZTWYOWPU-UHFFFAOYSA-N 360.479 3.650 0 40 FHAB Cc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(c2ccc(C)c(C)c2)C3)cc1 15081269 OUFOYVUNQNFMAW-FQEVSTJZSA-N 361.445 3.609 0 40 FHAB O=C(COc1ccc2ccccc2c1)NCc1ccc(Cn2cccn2)cc1 16723499 JMLAONMXRMNSCV-UHFFFAOYSA-N 371.440 3.780 0 40 FHAB COc1c(C)cccc1CN1CCCC[C@@H]1c1ncc2c(n1)CCN(C)C2 19235984 PLHKEGCMEHVSMV-HXUWFJFHSA-N 366.509 3.509 0 40 FHAB O=C(c1cc(C2CCN(Cc3ccccc3)CC2)no1)N1CCCCC1 19371867 XOPGKNLCXAEEAF-UHFFFAOYSA-N 353.466 3.680 0 40 FHAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@H](c3cc4cccnc4[nH]3)C2)n1 19572819 KECNOWFBKHMMCF-WMZOPIPTSA-N 365.481 3.734 0 40 FHAB CCn1c(C)nc2cc(NC(=O)Cn3ccnc3-c3ccccc3)ccc21 19656468 AUMQBBDNPXPTGC-UHFFFAOYSA-N 359.433 3.867 0 40 FHAB O=C(Nc1cccc(-n2cccn2)c1)[C@H](Cc1ccccc1)N1CCCC1 19714607 TZABEDZSZZHAQB-NRFANRHFSA-N 360.461 3.518 0 40 FHAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N[C@H](C)c3cnn(C)c3C)c2)n1 19718344 AJSUCWRCAQVODU-CYBMUJFWSA-N 371.872 3.675 0 40 FHAB Cc1ccccc1OS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C 19923848 CFHSTENZPLQALS-UHFFFAOYSA-N 353.399 3.506 0 40 FHAB C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccc(F)cc1 21843451 IMFLLPPYAPZWPF-PBHICJAKSA-N 372.415 3.694 0 40 FHAB COc1cc2c(cc1CNC1CCN(Cc3ccccc3)CC1)O[C@H](C)C2 22771320 VZPCDOPLRKFMMN-QGZVFWFLSA-N 366.505 3.773 0 40 FHAB COc1ccc(NC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1 23234019 OWHXHKSLQIMICV-UHFFFAOYSA-N 368.220 3.762 0 40 FHAB Cc1ccc(NC(=O)CCn2c(S)nnc2-c2ccc(F)cc2)cc1F 24773544 SWWQLXQCFDLSAS-UHFFFAOYSA-N 374.416 3.849 0 40 FHAB CN(C)[C@H](CNC(=O)COc1ccccc1)c1ccc(C(C)(C)C)cc1 28289399 IFZCQJYLGFQZRK-HXUWFJFHSA-N 354.494 3.782 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)Cn1c(C)cc3ccccc31)CC2 31238808 IDOVAIFRODAKBN-UHFFFAOYSA-N 364.445 3.552 0 40 FHAB biogenic O=C1Nc2ccccc2CC[C@H]1Sc1nnc(-c2ccccc2F)o1 32073447 ZQYBHEVZLOAFKE-OAHLLOKOSA-N 355.394 3.921 0 40 FHAB C/C=C/c1cc(C(=O)N[C@@H](CN(C)C)c2ccccc2)cc(OC)c1OC 32216405 UUNACNZBLQCZET-IUYMFKLXSA-N 368.477 3.770 0 40 FHAB CCOc1ccccc1C(=O)N[C@@H](C(=O)OCc1ccccc1C)C(C)C 32910619 HUDCJEQHFHFJFB-HXUWFJFHSA-N 369.461 3.892 0 40 FHAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Nc1cccc(C(=O)NC)c1 33040135 OFQUUWGLEYHEDL-GJZGRUSLSA-N 353.466 3.999 0 40 FHAB COC(=O)c1ccc(NC(=O)c2csc(Cc3ccccc3)n2)s1 33161850 KOSOWFDYKLEFPZ-UHFFFAOYSA-N 358.444 3.834 0 40 FHAB CCOC(=O)c1cc2c3ccccc3n(S(=O)(=O)c3ccccc3)c2[nH]1 38231071 FDAYTRJOISMLHH-UHFFFAOYSA-N 368.414 3.536 0 40 FHAB O=C(/C=C/c1cccs1)N1CCC(c2nnc(-c3ccco3)o2)CC1 38518305 CMGGXILOASCODB-AATRIKPKSA-N 355.419 3.811 0 40 FHAB C[C@@H](CNC(=O)c1ccccc1Br)N1CCc2ccccc21 40072796 FDLDYDFTJQBOQT-ZDUSSCGKSA-N 359.267 3.630 0 40 FHAB O=C(NCc1ccnc(Oc2ccccc2)c1)C1C[C@@H]2CCC[C@H](C1)C2=O 40110572 SJJVKQDQPIYRRB-JWTNVVGKSA-N 364.445 3.886 0 40 FHAB C[C@H]1C[C@H](C)CN(CCCNC(=O)CCc2nc3ccccc3s2)C1 40118849 SFRCPUJYFGJSAY-HOTGVXAUSA-N 359.539 3.713 0 40 FHAB Cc1sc2ncnc(SCCC(=O)NCc3ccncc3)c2c1C 40284929 ZIVFTOFRCTWWTR-UHFFFAOYSA-N 358.492 3.502 0 40 FHAB CCOC(=O)CCCCCCC(=O)c1cccc(CN2CCOCC2)c1 43211066 CQMBFDCORZGMFK-UHFFFAOYSA-N 361.482 3.605 0 40 FHAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3nc(C)c(C)s3)C2)c1 44879725 CIOMRCBUONCPAG-INIZCTEOSA-N 371.506 3.868 0 40 FHAB CC[C@H]1CCCCN1CCCNC(=O)[C@@H](C)Oc1cccc(Cl)c1 44899873 YGDPWPHHMVDSEE-WBVHZDCISA-N 352.906 3.878 0 40 FHAB C[C@H](NC(=O)N(Cc1ccccc1Br)C1CC1)[C@@H]1CCCO1 46970894 MUXYWUIFEFEFHY-LRDDRELGSA-N 367.287 3.691 0 40 FHAB CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Br)cc1 49976662 NVVHWBRGFDLMMY-UHFFFAOYSA-N 354.269 3.973 0 40 FHAB COc1cc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)ccc1NC(C)=O 53630034 XFCGEQJGRNVHFP-UHFFFAOYSA-N 370.453 3.735 0 40 FHAB COc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccccc1C(F)(F)F 55840876 DWYBJBZTXFESHN-UHFFFAOYSA-N 366.339 3.668 0 40 FHAB Cc1nc(C)c([C@H](C)NC(=O)Nc2cccc(N3CCCC3=O)c2)s1 56574121 QUROGZFTBWNZSO-LBPRGKRZSA-N 358.467 3.769 0 40 FHAB CCc1nc2cc(NC(=O)c3cnn(-c4ccccn4)c3CC)ccc2o1 57994272 OCYWOSDBPSBYEC-UHFFFAOYSA-N 361.405 3.786 0 40 FHAB O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccn(CCc2ccncc2)n1 58194623 XOCALELBMKFOQA-UHFFFAOYSA-N 374.366 3.721 0 40 FHAB C[C@@H](Sc1n[nH]c(=O)n1CCc1ccccc1)c1ccc(F)c(F)c1 58369681 VQDDNYUDNHBOPG-GFCCVEGCSA-N 361.417 3.946 0 40 FHAB Cc1ccccc1CCNC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1 64334804 BAEWZVJADZSORU-CYBMUJFWSA-N 372.519 3.524 0 40 FHAB CSc1ccc(CNC(=O)c2cn(-c3ccc(C)c(C)c3)nn2)cc1 67261882 RGHNZNLPUXEOFG-UHFFFAOYSA-N 352.463 3.536 0 40 FHAB O=C(O)c1nnn(-c2ccc(Oc3ccccc3)cc2)c1-c1ccccn1 67323668 BGFSPFQLYWGFND-UHFFFAOYSA-N 358.357 3.820 0 40 FHAB in-vitro COc1ccc(C(=O)N[C@@H]2CCC[C@H](OC(=O)Nc3ccccc3)C2)cc1 75165839 IZBNSJPXAWJMHE-MJGOQNOKSA-N 368.433 3.985 0 40 FHAB CCCN(C)C[C@H]1CCN(C(=O)c2ccc(-c3ccsc3)nc2C)C1 81363264 GNHHAEVCDGSIQM-MRXNPFEDSA-N 357.523 3.922 0 40 FHAB CN1CC[C@@H](NC(=O)c2ccc(Cl)nc2)[C@@H]1c1ccc(Cl)cc1 89375133 QKVLPWHMQZDMLW-ZBFHGGJFSA-N 350.249 3.564 0 40 FHAB COc1ccc([C@@H](O)[C@H](C)Nc2nccc(OCc3ccccc3)n2)cc1 89634522 PWWLMVGBDLSMSP-YWZLYKJASA-N 365.433 3.598 0 40 FHAB CN(Cc1cc(Cl)cc2c1OCOC2)c1cccnc1N1CCCC1 95446818 VIAISVJWTBMOGM-UHFFFAOYSA-N 359.857 3.838 0 40 FHAB O=C(NC1CCC(O)(c2ccccc2)CC1)c1csc(-c2ccoc2)n1 95940549 UJIGJADXWKGNHC-UHFFFAOYSA-N 368.458 3.963 0 40 FHAB C[C@H]1CN(Cc2cc(Cl)cc3c2OCOC3)c2ccccc2NC1=O 95962836 FQPSUYSKBKVOJR-LBPRGKRZSA-N 358.825 3.801 0 40 FHAB O=C(CC1CCC2(CC1)CCN(Cc1ccncc1)CC2)N1CC=CC1 96075182 APNHKRXPJBQMOG-UHFFFAOYSA-N 353.510 3.643 0 40 FHAB CCCc1ccc(C(=O)N2Cc3c(CN4CCCCC4)nn(C)c3C2)cc1 96084516 QUHOMIDRMWLXEX-UHFFFAOYSA-N 366.509 3.515 0 40 FHAB Cc1cnc(N2CCC3(CCC(CC(=O)N4CCCC4)CC3)CC2)nc1 96159370 JRPYVJGMZONFEI-UHFFFAOYSA-N 356.514 3.574 0 40 FHAB CCC(=O)N[C@@H]1CC2(CCN(Cc3ccco3)CC2)Oc2ccccc21 96242825 ISPQBPAYZJICTJ-GOSISDBHSA-N 354.450 3.664 0 40 FHAB C[C@H]1C(=O)Nc2cc(C(=O)N[C@@H](c3ccccc3)C(C)(C)C)ccc2N1C 97012310 XDBIDBNSLOUUTH-LIRRHRJNSA-N 365.477 3.981 0 40 FHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)NCc1cnn(-c3ccccc3)c1)C2 102151288 VZWAVRVHWIBCAV-CDXJDZJCSA-N 352.482 3.886 0 40 FHAB C[C@@H]1[C@@H](OC(=O)c2cccc(N3C(=O)CCC3=O)c2)C[C@H]2C[C@H]1C2(C)C 102806024 IGPLREQKGCQVKF-JFOHDYCDSA-N 355.434 3.568 0 40 FHAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccc3nc(C4CC4)sc3c2)[C@H]2C=C[C@H]1C2 104027500 QUWMDAWJEBNERI-GREKMHCPSA-N 354.431 3.635 0 40 FHAB Cc1nc(C[C@H]2CCCN(C(=O)N[C@H](C)c3ccc(C)c(F)c3)C2)no1 156775304 IMXFQCQIJMZZCT-UKRRQHHQSA-N 360.433 3.551 0 40 FHAB O=C(NCCCc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1 219201238 UVEGWVJCRICMBY-UHFFFAOYSA-N 356.853 3.829 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)COc1ccccc1C 219357785 AXALPCUXHXZOFU-QFBILLFUSA-N 357.450 3.745 0 40 FHAB CCc1ccc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1 222490648 NFAZSBZRGADAAR-UHFFFAOYSA-N 366.870 3.551 0 40 FHAB CCOc1ccc(C(=O)NCc2ccccc2CN2CCCC2)cc1C 224801904 PWUPFBOKDDMYGQ-UHFFFAOYSA-N 352.478 3.920 0 40 FHAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NC3CC3)o2)c(OC)c1 224929844 HRAQQUTZUDNSDQ-UHFFFAOYSA-N 364.401 3.918 0 40 FHAB Cc1noc(C)c1/C=C1/SCCN1C(=O)COc1ccc(Cl)cc1 225248464 KGHGKJAEBLOFFI-RQZCQDPDSA-N 364.854 3.898 0 40 FHAB Cc1cccc(CN(C(=O)Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)c1 225515846 KBPLBFNWSIJLHQ-QGZVFWFLSA-N 370.468 3.619 0 40 FHAB Cc1ccccc1CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC(C)C 225594755 IGWNGEHXMBYBQG-QGZVFWFLSA-N 370.468 3.619 0 40 FHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1 225720134 LMSSKRUCPLGILL-OAQYLSRUSA-N 366.505 3.870 0 40 FHAB COc1ccc(C(=O)Nc2cc(Cl)c3nc(N)sc3c2)cc1OC 226310985 TUWCGTJNIFMBSE-UHFFFAOYSA-N 363.826 3.801 0 40 FHAB O=C(CSc1ccc(F)cc1)NCc1ccnc(-c2cccnc2)c1 238828833 FKJSSPXGMDVZMB-UHFFFAOYSA-N 353.422 3.691 0 40 FHAB Cc1ccccc1CC(=O)N1CCC2(CC1)OCC[C@@H]2CCOCC1CC1 248172821 XKIAGHQMKGLWRH-NRFANRHFSA-N 371.521 3.752 0 40 FHAB O=C(O)c1ccccc1-c1ccc(CN2CCO[C@@H](c3ccccn3)C2)o1 257251908 JSUVINYFWWYWCN-HXUWFJFHSA-N 364.401 3.613 0 40 FHAB CCCNC(=O)c1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)ccc1C 408610755 VPJCQIDUQUGGPS-UHFFFAOYSA-N 374.506 3.861 0 40 FHAB CC(C)C(=O)NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 408626827 ITCJZGAZZQAELX-UHFFFAOYSA-N 366.442 3.929 0 40 FHAB COc1cccc(CNc2ccccc2C(=O)N2CCC[C@@H]2CO)c1Cl 656646255 DTCCNKUWUZAIHU-OAHLLOKOSA-N 374.868 3.558 0 40 FHAB COc1cccc2c(NC[C@@H]3CCCO[C@H]3c3ccnn3C)nccc12 664503834 VSQUUMFEQPXVLC-IFXJQAMLSA-N 352.438 3.557 0 40 FHAB C[C@@H](NC(=O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1)c1ccc(F)cc1 1539329331 MANQDCUSDDPJCU-UKRRQHHQSA-N 358.388 3.585 0 40 FHAB CCCc1n(C[C@@H](O)COc2cc(C)ccc2Cl)c2ccccc2[n+]1C 889954 XEIHWXIUSXNAHC-MRXNPFEDSA-N 373.904 3.820 0 40 FHAB COc1ccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1 1397073 QDPOCKKKMMINTE-UHFFFAOYSA-N 368.820 3.811 0 40 FHAB C[C@@H](CN(C)C(C)(C)C)OC(=O)C(O)(c1ccccc1)c1ccccc1 1837315 XCLBRBKORPURBG-KRWDZBQOSA-N 355.478 3.585 0 40 FHAB COc1ccccc1-c1nnc(NC(=O)CSc2ccccc2)s1 2446797 MCXAIPVMWWVROJ-UHFFFAOYSA-N 357.460 3.945 0 40 FHAB Cc1nc(SCC(=O)Nc2cccc(Br)c2)nc(C)c1C 2616413 CXNZVVVCTLWMCT-UHFFFAOYSA-N 366.284 3.895 0 40 FHAB O=C(COC(=O)c1cccnc1Cl)c1ccccc1Br 3237484 ZZMSRVKXTXKJAT-UHFFFAOYSA-N 354.587 3.537 0 40 FHAB O=C1O[C@H](C(=O)OCc2cnc(-c3ccccc3)s2)Cc2ccccc21 3441216 VGWRZDOCHRIPIL-KRWDZBQOSA-N 365.410 3.635 0 40 FHAB COc1ccc(CSc2nnc(-c3ccccc3Cl)n2N)cc1F 3449971 CEGZTQDAGSVYFP-UHFFFAOYSA-N 364.833 3.752 0 40 FHAB COc1ccc(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)cc1OC 3903053 MMMCRMCJCWVNQX-UDIJICLVSA-N 358.394 3.899 0 40 FHAB COc1c2c(nc3occc13)[C@@](CC=C(C)C)(OC)[C@H](OC(C)=O)CC2 3985047 OXMDOZHTPUDSEE-UZLBHIALSA-N 359.422 3.912 0 40 FHAB biogenic,in-vitro COc1cc(/C=C/C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)ccc1OC(C)C 4073378 BMSQLJBLCBYBST-PFPWHMTESA-N 373.493 3.649 0 40 FHAB biogenic CCCOc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)N1CCOCC1)CC2 4222672 AOFWOFXKCVSUSB-FUHWJXTLSA-N 359.510 3.692 0 40 FHAB biogenic,in-vitro CCCCCC1=NN(C(=O)c2cccc(OC)c2)[C@](O)(C(F)(F)F)C1 4309910 BWGVZIDVFUEZRH-MRXNPFEDSA-N 358.360 3.728 0 40 FHAB CCOC(=O)c1ccc(-c2ccc([C@H]3NC(=O)c4ccccc4N3)o2)cc1 4614435 KSBSANPDXAKTTK-LJQANCHMSA-N 362.385 3.977 0 40 FHAB CCOc1ccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)cc1 4690163 KHRDUZSDZYYJLR-UHFFFAOYSA-N 371.911 3.809 0 40 FHAB COc1ccccc1NCC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 4750051 JZRFNOGZBFOQRD-UHFFFAOYSA-N 371.437 3.932 0 40 FHAB CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1cccc(C)c1 4996699 ATBJKDAJPQWZKU-UHFFFAOYSA-N 366.490 3.682 0 40 FHAB CCCCNC(=O)/C(=C/c1ccc(C)cc1)NC(=O)c1ccc(C)cc1 5032025 JGCPQKBBMVDTCX-HKWRFOASSA-N 350.462 3.991 0 40 FHAB O=C(CCCCCn1nnc2ccccc2c1=O)Nc1ccccc1Cl 5302324 AHQQEXPNGZGSKK-UHFFFAOYSA-N 370.840 3.644 0 40 FHAB O=C(Cn1nc(-c2ccc3ccccc3c2)ccc1=O)Nc1cccc(F)c1 5399057 AYTQUEYSOOOBPU-UHFFFAOYSA-N 373.387 3.841 0 40 FHAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2F)cc1 6059252 SLMHDNAKDXCOIW-UHFFFAOYSA-N 373.380 3.578 0 40 FHAB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1cccnc1)c1nc3ccccc3nc12 6673506 VAFOQKVOZZYXTC-FCHUYYIVSA-N 358.445 3.993 0 40 FHAB C[C@H]1CCc2nc(NC(=O)c3cc(Cl)c4c(c3)OCO4)sc2C1 8231704 IOKNWNQLSVAZDE-QMMMGPOBSA-N 350.827 3.902 0 40 FHAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccccc1 8310337 HVGHBHZXZVMVPT-SFHVURJKSA-N 352.434 3.624 0 40 FHAB C[C@@H](Sc1nc(-c2ccncc2)n[nH]1)C(=O)Nc1ccc(Cl)cc1 8489760 MYWIFLZSBVJVDL-SNVBAGLBSA-N 359.842 3.639 0 40 FHAB Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 8762927 IGGHTGQGFFUWAE-UHFFFAOYSA-N 366.373 3.851 0 40 FHAB CCOc1ccccc1NC(=O)NC[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 9040510 NLPYJSNZHCDXBP-INIZCTEOSA-N 367.449 3.568 0 40 FHAB Cc1ccc(-c2nnc3sc(-c4cccc(Cl)c4)nn3c2=O)cc1 9049895 NCMXJQDRIIPZRZ-UHFFFAOYSA-N 354.822 3.842 0 40 FHAB CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(C)=O)cc1 9412037 PRFGIOMWXQVXOB-UHFFFAOYSA-N 350.418 3.788 0 40 FHAB Nc1sc(SCC(=O)NCc2ccc(F)cc2)nc1-c1ccccc1 11693807 YJNUAJRLBAMWLP-UHFFFAOYSA-N 373.478 3.940 0 40 FHAB C[C@H]1CCc2noc(C3CCN(C(=O)Cc4ccccc4F)CC3)c2C1 12119825 ZQPDVZSXTSETTG-AWEZNQCLSA-N 356.441 3.887 0 40 FHAB C[C@H]1CN(c2ncc(-c3ccsc3)c(-c3nccs3)n2)C[C@@H](C)O1 12240500 DQZYNHYTKMDSDZ-TXEJJXNPSA-N 358.492 3.942 0 40 FHAB C[C@H](NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1ccc(F)cc1F 12771194 SLINASCZVNGFBR-LBPRGKRZSA-N 373.403 3.874 0 40 FHAB CN(C)[C@@H](CNC(=O)CSc1ccc(Cl)cc1)c1cccs1 12778330 ZEUPNZNLRSIGTB-AWEZNQCLSA-N 354.928 3.913 0 40 FHAB FC(F)(F)c1nnc2ccc(NCCOc3ccc4ccccc4c3)nn12 12873437 BLUOCWSRIKPLRJ-UHFFFAOYSA-N 373.338 3.787 0 40 FHAB CC[C@H](Oc1ccccc1)C(=O)Nc1cc(Cl)ccc1-n1cncn1 12874465 QPDKOSFLADWBIG-KRWDZBQOSA-N 356.813 3.717 0 40 FHAB Cc1cccc(-c2nc(CC(=O)NCc3ccc(C(=O)O)cc3)cs2)c1 12992865 UOFPMYSTVCQKAB-UHFFFAOYSA-N 366.442 3.676 0 40 FHAB CN(CC(=O)Nc1cccc(F)c1)Cc1ccc(OC(F)(F)F)cc1 13009365 FMZCLGYXQYEMIS-UHFFFAOYSA-N 356.319 3.795 0 40 FHAB O=C(COc1ccccc1)Nc1nc(-c2ccc3c(c2)CCO3)cs1 13024010 YVOKRTQUHBAQCV-UHFFFAOYSA-N 352.415 3.763 0 40 FHAB CSc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)cc1 13033075 PFLASNMFPYDPOZ-UHFFFAOYSA-N 357.840 3.561 0 40 FHAB COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1OC 13096125 GARHJOKQDUQQAD-CYBMUJFWSA-N 362.857 3.816 0 40 FHAB COCc1ccc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1 14141724 HBLBQPBHGXFPPQ-AWEZNQCLSA-N 359.495 3.774 0 40 FHAB CC(=O)N[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCCC1 14189426 ROHHGFKWUFUMFZ-CQSZACIVSA-N 362.779 3.992 0 40 FHAB Cc1ccc(NC(=O)CCCn2c(C)csc2=O)c(Br)c1 14197038 UOFFNQFIYMBLRD-UHFFFAOYSA-N 369.284 3.708 0 40 FHAB Cc1cc(=O)oc2cc(OCC(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)ccc12 14232122 XZQZRSZNVAUWLV-GVDBMIGSSA-N 369.461 3.955 0 40 FHAB COc1cc(C(=O)N(C)CCOc2ccc(C)cc2)cc(Cl)c1OC 14236122 CAPOTYLKMLLKMB-UHFFFAOYSA-N 363.841 3.817 0 40 FHAB CC[C@H](OC(=O)c1ccc2c3c(cccc13)CC2)C(=O)Nc1cc(C)on1 14703035 MPFWRSIFBJJRSB-KRWDZBQOSA-N 364.401 3.809 0 40 FHAB CC(C)CC(=O)Nc1ccc(S(=O)(=O)N2[C@H](C)CCC[C@H]2C)cc1 15618272 GYGLJDUPLVSPRW-HUUCEWRRSA-N 352.500 3.623 0 40 FHAB O=C(NCc1c(-c2ccc(F)cc2)nc2n1CCS2)c1ccc(F)cc1 17156487 UWAHLYJDMJCLDT-UHFFFAOYSA-N 371.412 3.864 0 40 FHAB C[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 17743850 QYVHBNNJKLSOQI-NSHDSACASA-N 352.843 3.626 0 40 FHAB CCOc1ccc(CN(C)C(=O)c2nn(-c3ccccc3)cc2OC)cc1 18074135 NKRDNVDEIPBGDC-UHFFFAOYSA-N 365.433 3.552 0 40 FHAB Cc1ccc2nc(C(=O)N3CCC[C@@H](COc4ccccc4C)C3)cn2c1 19234343 SHRMKVXKJWADAK-GOSISDBHSA-N 363.461 3.882 0 40 FHAB COC[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc2c(c1)C[C@H](C)O2 19234895 FIJRAQICIOKASI-ROUUACIJSA-N 367.489 3.925 0 40 FHAB CCCC12CN3CC(C)(CN(C1)C3c1cn(CC)c3ccccc13)C2=O 19322826 VLWVBWLKMHFQID-UHFFFAOYSA-N 351.494 3.667 0 40 FHAB biogenic O=C(c1cc(C2CCN(Cc3ccc(F)cc3)CC2)no1)N1CCCCC1 19333841 KAAJYCMILHAJQN-UHFFFAOYSA-N 371.456 3.819 0 40 FHAB O=C(c1cccs1)N1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 19342660 OVRFKFCNVUWSEE-GFCCVEGCSA-N 362.838 3.787 0 40 FHAB CC(C)CC(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccnc2)C1 19446670 KMJNYABWAOREAR-DENIHFKCSA-N 366.509 3.592 0 40 FHAB CCN(CC)C[C@H]1CCCN(Cc2cnc(-c3ccc(OC)cc3)nc2)C1 19526358 FOKXDCIFGHLSLW-GOSISDBHSA-N 368.525 3.706 0 40 FHAB COC(=O)c1cc(C2CCN(C(=O)c3ccc4oc(C)cc4c3)CC2)no1 19717712 CWXBJWDBGYDLFL-UHFFFAOYSA-N 368.389 3.536 0 40 FHAB CCn1c(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)nc2ccccc21 21592651 SFPQNVAOHOBVRP-HXUWFJFHSA-N 374.444 3.959 0 40 FHAB O=C(c1cc(Cl)ccc1O)N1CCN(C/C=C/c2ccccc2)CC1 21870227 VAIWSGXOYKFHGX-QPJJXVBHSA-N 356.853 3.517 0 40 FHAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc(OC)cc2)cc1 22519895 CYXQMUHVLDTMGP-IBGZPJMESA-N 363.479 3.770 0 40 FHAB CCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 22540721 WJBBEFRGTNWJMM-INIZCTEOSA-N 354.450 3.826 0 40 FHAB O=S(=O)(NCc1ccccc1Cl)c1ccccc1OC(F)(F)F 23390784 RZXDLHOKXAGRGO-UHFFFAOYSA-N 365.760 3.717 0 40 FHAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)N(C)[C@@H](C)c1cccs1)C2=O 24236345 DGJLAPFOFYZASU-AWEZNQCLSA-N 370.474 3.652 0 40 FHAB O=C(NCCC(=O)N1CCC[C@H]1c1ccncc1)c1ccc2ccccc2c1 24756278 DTNLNSUPKHTYSB-NRFANRHFSA-N 373.456 3.718 0 40 FHAB COC(=O)C1(NC(=O)CCSc2ccc(Cl)cc2)CCCCC1 25169255 SBHHFZTYAPMKRD-UHFFFAOYSA-N 355.887 3.814 0 40 FHAB COC(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c(C)c1 25453849 ZXHITHJUVNBERG-UHFFFAOYSA-N 361.463 3.816 0 40 FHAB Cc1cc(/C=C/C(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)n1-c1ccnn1C(C)C 25464272 FGDCQJBEUYVHER-FNQZAJIHSA-N 370.497 3.521 0 40 FHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2C)c1 26529891 WEATWBLSGBFHKT-UHFFFAOYSA-N 374.245 3.889 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)n1cc(Br)cn1 28224365 HHCBNDKCCQYYIG-MRVPVSSYSA-N 358.623 3.507 0 40 FHAB Cc1ccc2[nH]c3c(c2c1)CN(S(=O)(=O)c1ccc2c(c1)CCC2)CC3 28319955 IOTXWDNHHCSQEH-UHFFFAOYSA-N 366.486 3.712 0 40 FHAB CC(=O)Nc1cccc([C@H](C)NC(=O)CCOc2ccc(C)cc2C)c1 30270450 RSWVISRMGFHDOZ-INIZCTEOSA-N 354.450 3.908 0 40 FHAB Cc1nc(C)c2c(C)c(C(=O)N(C)Cc3nc4ccccc4[nH]3)sc2n1 30659878 YRGITWZLBWXBAP-UHFFFAOYSA-N 365.462 3.765 0 40 FHAB O=C1Nc2ccccc2CC[C@@H]1S(=O)(=O)c1ccc2ccccc2c1 32094396 MYHMKNOGMSGVSV-IBGZPJMESA-N 351.427 3.567 0 40 FHAB CCc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(-n2cnnc2)c1 32646937 VOYKTHWEUBOFGH-UHFFFAOYSA-N 374.803 3.640 0 40 FHAB Cc1cn2c(=O)cc(COc3ccc(NC(=O)C(C)(C)C)cc3)nc2s1 35475927 ZUPGBAMPQWIWDK-UHFFFAOYSA-N 371.462 3.628 0 40 FHAB C[C@H]1CCC[C@H](C)N1C(=O)CS(=O)(=O)Cc1ccc(C(C)(C)C)cc1 36396414 PMURXSZJHKJTIF-HOTGVXAUSA-N 365.539 3.688 0 40 FHAB FC(F)(F)c1cccc(CN2CCN(Cc3nc4ccccc4[nH]3)CC2)c1 36707998 RQDBGRPJEDHJLO-UHFFFAOYSA-N 374.410 3.900 0 40 FHAB CCN(C(=O)c1cnc2c(c1)c(C)nn2C)c1nc2ccccc2s1 40040233 UBRTUPJWPJDWGW-UHFFFAOYSA-N 351.435 3.553 0 40 FHAB CC[C@@H]1CCCN(C(=O)Nc2cc(OC)c(C(=O)OC)cc2Cl)C1 40120940 RTWVUVQSAHJHQM-LLVKDONJSA-N 354.834 3.789 0 40 FHAB C[C@H](Sc1nncs1)C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 40138894 BPGQVVGNJBOTLX-NWDGAFQWSA-N 374.491 3.566 0 40 FHAB CCOC(=O)COc1ccc([C@@H](C)NC(=O)Nc2ccccc2)cc1OC 40149976 PTILWZKDVXKKKT-CQSZACIVSA-N 372.421 3.520 0 40 FHAB CN(Cc1ccccc1)C(=O)c1cc(=O)c(OCc2ccccc2F)co1 40283913 JGWQMAQREPXJQD-UHFFFAOYSA-N 367.376 3.630 0 40 FHAB O=C(c1cccc(C2OCCO2)c1)c1ccc(Br)cc1F 43212575 LJZPOIVKXKZKOS-UHFFFAOYSA-N 351.171 3.865 0 40 FHAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cc(Cl)ccc3F)c2)n1 47317368 BCZUWNJCJMKAJV-UHFFFAOYSA-N 357.772 3.790 0 40 FHAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2cc(F)ccc2Br)C1 47415637 YLTGEQKHQFLOPE-BETUJISGSA-N 371.294 3.686 0 40 FHAB C[C@@H]1CCCN(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 48428188 OSRFDZRWFTVTLD-CYBMUJFWSA-N 371.403 3.806 0 40 FHAB Cc1ccc(Nc2c(C(=O)N3CCOCC3)cnc3ccc(F)cc23)cc1 64471624 DEDKYUJMRGVQBO-UHFFFAOYSA-N 365.408 3.898 0 40 FHAB O=C(OCCc1c[nH]nc1C(F)(F)F)c1csc(-c2ccccc2)n1 64685066 RJDIMQZVFIFAFY-UHFFFAOYSA-N 367.352 3.952 0 40 FHAB Cc1cc(C)nc([C@@H]2CCN(C(=O)c3[nH]c4ccc(F)cc4c3C)C2)n1 72369719 DURMIRWUOMEHEU-CQSZACIVSA-N 352.413 3.652 0 40 FHAB O=C(NC1CCCC1)c1cc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)n[nH]1 72380523 PPQJNBDYKBQJOE-MRXNPFEDSA-N 370.472 3.601 0 40 FHAB CCOC(=O)C[C@@H](c1cccc(Cl)c1)c1c(O)[nH]c2ccccc2c1=O 72403161 WYGFBOARBXYUMK-HNNXBMFYSA-N 371.820 3.972 0 40 FHAB O=C(Nc1ccc(CN2CCCC2)cc1)c1ccn(-c2ccccc2F)n1 73901764 VSAQXDSRWKYLLZ-UHFFFAOYSA-N 364.424 3.860 0 40 FHAB O=C(CCS(=O)(=O)[C@@H]1CCCc2ccccc21)Nc1cccc(F)c1 77603792 AUTIMVKLXFLGLH-GOSISDBHSA-N 361.438 3.647 0 40 FHAB CCOC(=O)Nc1ccc(NC(=O)N(C2CC2)C2CCN(CC)CC2)cc1 95446497 ZQOGEIKMUITDKA-UHFFFAOYSA-N 374.485 3.736 0 40 FHAB CC(C)n1ccc2c(NC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)cccc21 95478056 VUFJMSPQTBNDAG-OAHLLOKOSA-N 365.433 3.802 0 40 FHAB CC(C)(C)C[C@@H](NC(=O)CCc1nc(-c2ccco2)no1)C(F)(F)F 95993881 GXJBQCMZDSFHED-LLVKDONJSA-N 359.348 3.746 0 40 FHAB CC(C)Sc1ccc(CC(=O)NCCn2ccc(C(F)(F)F)n2)cc1 96098996 DZGDDOFONTXKBU-UHFFFAOYSA-N 371.428 3.761 0 40 FHAB COCCn1ccc2c(C(=O)N[C@@H](C)c3nc4ccccc4[nH]3)cccc21 96118737 MUILGSGNTFFMTB-AWEZNQCLSA-N 362.433 3.655 0 40 FHAB Cc1cc(=O)oc2c3c(ccc12)OC(=O)C[C@@H]3C1=Cc2ccccc2OC1 96222607 FOTADDWEKVOJDE-MRXNPFEDSA-N 360.365 3.970 0 40 FHAB biogenic COc1ccc(C(=O)N[C@H](c2nc(-c3ccccc3)no2)C(C)C)cc1 96278661 FKOANHCTWOQBKK-KRWDZBQOSA-N 351.406 3.872 0 40 FHAB Cc1cccc(OCC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)c1 98212242 VUNNLSFIUHVLCE-SFHVURJKSA-N 363.417 3.788 0 40 FHAB COCCn1/c(=N/C(=O)C(C)(C)C)sc2cc(Br)ccc21 100872562 NYUIRRCPONQCKH-VKAVYKQESA-N 371.300 3.585 0 40 FHAB COC(=O)c1ccc2c(c1)[C@H]1C[C@](C)(O2)N(c2cc(F)ccc2F)C(=O)N1 101085186 ILGAOPRKZGSNDU-KUHUBIRLSA-N 374.343 3.521 0 40 FHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1cccn(Cc3ccccc3)c1=O)C2 102121255 NQEYAAUCOYNQPZ-GWJPWWOOSA-N 364.489 3.841 0 40 FHAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 222445543 SIZKKXXTYBFTHP-QGZVFWFLSA-N 370.518 3.641 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 224184011 GVSFAXRKOPSRTQ-OAQYLSRUSA-N 366.505 3.871 0 40 FHAB Cn1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 224449083 JGVKQJUROZBIDN-ZWKOTPCHSA-N 352.438 3.736 0 40 FHAB COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COCC(C)C 224451115 DIUTXTCZLIFNLS-UHFFFAOYSA-N 371.433 3.891 0 40 FHAB CCOC(=O)C1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)CC1 225326614 SYKZCDDHBSHKEI-UHFFFAOYSA-N 358.265 3.728 0 40 FHAB Cc1cc(NC(=S)NCCCN2CCCCC2)ccc1Br 225409862 FVEKLNUTFKCVPF-UHFFFAOYSA-N 370.360 3.920 0 40 FHAB COc1cccc(-c2noc(CN(C)C(=S)Nc3ccc(F)cc3)n2)c1 225461038 HSMUTXABKKJLLT-UHFFFAOYSA-N 372.425 3.713 0 40 FHAB Cc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1 225518509 ZMMUHPGLDOADAF-IBGZPJMESA-N 366.505 3.870 0 40 FHAB CCOC(=O)c1cc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)ccc1OCC 225807914 FKWIXBJRIMFRJB-VLIAUNLRSA-N 363.454 3.796 0 40 FHAB C[C@@H]1CCN(Cc2cccc(S(=O)(=O)N(C)C)c2)[C@@H](c2ccco2)C1 247359071 HEQFLBVNPWBVIL-CRAIPNDOSA-N 362.495 3.503 0 40 FHAB Cn1cnnc1[C@H]1CCCCN1Cc1ccc(-c2ccccc2C(=O)O)o1 257215212 CPDSLICGQROOKS-QGZVFWFLSA-N 366.421 3.501 0 40 FHAB COc1ncccc1C(=O)N1CCC[C@@H](Cc2ccc3ncccc3c2)C1 257330142 XNANBWVBGPFPLD-KRWDZBQOSA-N 361.445 3.733 0 40 FHAB Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 409265970 VMMDDUVNFWXJCM-UHFFFAOYSA-N 374.506 3.643 0 40 FHAB Fc1cc2c(cc1Cl)[C@@H](NCc1nc(COc3ccccc3)n[nH]1)CC2 527891250 LOYNXVDWGNFZLL-KRWDZBQOSA-N 372.831 3.953 0 40 FHAB Cc1cc(C)n([C@H](CNC(=O)Cc2ccc(F)cc2)c2ccsc2)n1 575613637 IXFCTYMAFCXENY-GOSISDBHSA-N 357.454 3.649 0 40 FHAB Cc1ccc(CC(=O)N2CCC3(CC2)CCN(CC2CCC2)C(=O)C3)cc1 585102530 DGDVBEHVRKXWHN-UHFFFAOYSA-N 368.521 3.569 0 40 FHAB CCCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)CC(C)C)C2 585106554 AWGOOQSOTLRTQY-QFIPXVFZSA-N 366.509 3.966 0 40 FHAB O=C(NC[C@H](O)c1ccc(-c2cccs2)s1)c1ccc2c(c1)OCO2 585147956 KFVBUAKMGKNRKM-LBPRGKRZSA-N 373.455 3.669 0 40 FHAB CC(C)c1noc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)n1 661376797 NFVUYLHTAUYYOZ-UHFFFAOYSA-N 355.269 3.822 0 40 FHAB CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(Cc2ccc(-c3cccs3)cc2)C1 668119795 RMMUCHRYITVQKM-OALUTQOASA-N 370.518 3.627 0 40 FHAB COc1cc(C)nc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1 676412180 DRVSOSPSRTWMJP-SNVBAGLBSA-N 358.389 3.653 0 40 FHAB NC[C@@H]1CCCC12CCN(C(=O)c1c[nH]cc1-c1ccc(F)cc1)CC2 1122556090 KPDXUQZNOURASV-INIZCTEOSA-N 355.457 3.802 0 40 FHAB Cc1cc(N2CCC(CN(C)c3cc(C(F)(F)F)ccn3)CC2)ncn1 1888904063 GJDNLWJLZWMJEF-UHFFFAOYSA-N 365.403 3.552 0 40 FHAB O=C(CSc1nnc(COc2ccc(F)cc2)o1)OC1CCCCC1 875954 RLCKRIJUOQHNRL-UHFFFAOYSA-N 366.414 3.756 0 40 FHAB COc1ccc(Cc2nnc(S)n2-c2ccc(Cl)cc2)cc1OC 1045980 MQBVJZXKTNTKTJ-UHFFFAOYSA-N 361.854 3.817 0 40 FHAB S=C(SCc1nc(-c2ccc(Cl)cc2)no1)N1CCSCC1 1048923 FUCWEKYBBVDZFJ-UHFFFAOYSA-N 371.940 3.957 0 40 FHAB CC(=O)n1nc(-c2ccccc2)nc1SCC(=O)Nc1ccc(C)cc1 1224398 RGHCEQSAOGJUKN-UHFFFAOYSA-N 366.446 3.644 0 40 FHAB O=C(CSc1ccc(-c2ccc(F)cc2)nn1)NCc1ccc(F)cc1 1332361 HNQAWOJFCVCNQI-UHFFFAOYSA-N 371.412 3.830 0 40 FHAB C[C@@H](CC(=O)N1CCC[C@@H](c2n[nH]c(=S)n2C)C1)C1CCCCC1 78622048 VQCUBAWCMVLJFM-DZGCQCFKSA-N 350.532 3.790 0 40 FHAB CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2)cc1 1441862 VJHUWWSVZRQPAB-UHFFFAOYSA-N 372.490 3.892 0 40 FHAB CCOC(=O)COc1cc2c(cc1[C@H](CC)c1ccc(OC)cc1)OCO2 1582413 RVMFYVRFITYLTQ-MRXNPFEDSA-N 372.417 3.908 0 40 FHAB COc1cc(C(=O)Nc2ccnn2Cc2ccccc2)ccc1OC(F)F 23141409 ABRHADFMRASTHY-UHFFFAOYSA-N 373.359 3.794 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@@H]1CCCOc2ccc(F)cc21 54283017 PXZPOAUWDLLQGM-QGZVFWFLSA-N 366.392 3.828 0 40 FHAB O=C(Nc1ccccc1)c1cccc(COc2ccccc2OCCO)c1 79016370 PQDXCVPSEPLKGH-UHFFFAOYSA-N 363.413 3.889 0 40 FHAB COCc1nnc(Nc2ccn(Cc3c(Cl)cccc3Cl)n2)s1 2732634 LWEPQJDSYWEBHR-UHFFFAOYSA-N 370.265 3.980 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCC[C@H]2CCCC[C@H]21 54670647 PXXZCRIABFXNJF-IEBWSBKVSA-N 365.477 3.853 0 40 FHAB Cc1c(OCc2ccc(C(=O)O)o2)ccc2c3c(c(=O)oc12)CCCC3 1151341 FEVMIGKSSIYWOY-UHFFFAOYSA-N 354.358 3.850 0 40 FHAB biogenic O=C1OC(C23CC4CC(CC(C4)C2)C3)=N/C1=C/c1ccc2c(c1)OCCO2 8514809 HUQOBUDYWLKIGC-CAOOACKPSA-N 365.429 3.970 0 40 FHAB COc1c(C)cnc(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1C 50953316 HRZSTCJGNJLILA-UHFFFAOYSA-N 374.384 3.613 0 40 FHAB COc1ccccc1Oc1coc2cc(OC(=O)N(C)C)ccc2c1=O 1448151 RPOQXJSBDNFTML-UHFFFAOYSA-N 355.346 3.654 0 40 FHAB biogenic Cn1ccnc1[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(F)cc1 12559757 KSXDUWXHMSEXSO-GOSISDBHSA-N 357.816 3.661 0 40 FHAB CN(C)[C@@H](CNC(=O)c1cc(Cl)c(O)c(Cl)c1)c1ccccc1 25777206 FLRIXOUFPCSHLT-HNNXBMFYSA-N 353.249 3.732 0 40 FHAB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(Cc1ccccn1)CO3 57120948 AQYYXRDTFLKNMN-UHFFFAOYSA-N 356.809 3.810 0 40 FHAB Cc1cc(OCC(=O)Nc2ccc(C)c(C)c2)nc(N2CCC[C@@H](C)C2)n1 44168726 PFSHJEYUOOOXCR-CQSZACIVSA-N 368.481 3.656 0 40 FHAB Cc1ccc(C)c(NC(=O)COc2cc(C)nc(N3CCC[C@@H](C)C3)n2)c1 44168716 BDWLXEKLEQVOPR-OAHLLOKOSA-N 368.481 3.656 0 40 FHAB Nc1nc2c(c(NC(=O)Nc3ccc(Cl)c(Cl)c3)n1)CCCC2 9637012 LTZHQEDMMZLIGR-UHFFFAOYSA-N 352.225 3.888 0 40 FHAB COc1ccc(C(=O)C[C@@H](SCCO)c2ccc(F)cc2)cc1OC 1799297 NFBRLOJTQUARHF-LJQANCHMSA-N 364.438 3.883 0 40 FHAB Cc1ccc2[nH]cc(C(=O)CN3CCN(c4ccccc4F)CC3)c2c1 35844255 KEZYRJXRSJIYNC-UHFFFAOYSA-N 351.425 3.620 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 57065033 GSIVBNXFGNFWBQ-OAHLLOKOSA-N 351.425 3.872 0 40 FHAB COc1cccnc1NC(=O)CSc1ccc(Br)cc1C 58163045 DEETYRIPVCGMEL-UHFFFAOYSA-N 367.268 3.892 0 40 FHAB CC(=O)Nc1cc(N[C@@H](C(=O)NC2CC2)c2ccccc2)ccc1Cl 58182293 RWYAZYAEQQIHGI-GOSISDBHSA-N 357.841 3.730 0 40 FHAB O=C(CSCc1ccncc1)NCc1cc(F)cc(Br)c1 58291033 HSCCKHPHBCAQFW-UHFFFAOYSA-N 369.259 3.533 0 40 FHAB COC(=O)c1sc(NC(=O)c2sc(C(C)(C)C)nc2C)nc1C 58215586 KTPOTVVEUPFWIF-UHFFFAOYSA-N 353.469 3.553 0 40 FHAB CCCc1ncc(CN2[C@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cn1 100763700 NWPBPVSPDJBKJZ-OALUTQOASA-N 355.457 3.583 0 40 FHAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCc2ccccc2C1 12784695 JOZPUEIXGOPOHF-FQEVSTJZSA-N 366.461 3.522 0 40 FHAB O=C(COc1ccc(Cl)cc1)NC1CCN(CCc2ccccc2)CC1 27939003 AZJMNOCUMAPMOT-UHFFFAOYSA-N 372.896 3.542 0 40 FHAB COc1ccc(OC)c(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)c1 27969513 KJXBNIZEXXHCCF-UHFFFAOYSA-N 371.824 3.854 0 40 FHAB COC(=O)c1ccccc1NC(=O)N(C)CCOc1cc(C)cc(C)c1 12775686 YVXKYIPRHHBHED-UHFFFAOYSA-N 356.422 3.633 0 40 FHAB CC(=O)Nc1ccc(C2=NN=C(N[C@@H]3CCC[C@H](C)[C@H]3C)SC2)cc1 12797630 FZNMPBGZFXVHTB-OGHNNQOOSA-N 358.511 3.866 0 40 FHAB O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1cccc(Br)c1 10677516 MFFFXDBLMHTESK-INIZCTEOSA-N 366.280 3.879 0 40 FHAB CCC[C@@H](c1nnnn1C1CCCCC1)N1CCN(c2ccccc2)CC1 57669485 PULVIYOUVIFTLF-FQEVSTJZSA-N 368.529 3.842 0 40 FHAB C[C@H]1CCc2sc(C(=O)OCC(=O)c3ccc4c(c3)OCCO4)cc2C1 3377760 HQISLQQMUGPXPH-LBPRGKRZSA-N 372.442 3.684 0 40 FHAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)c(F)c1 10993191 WQJWVRLVSYFOBN-UHFFFAOYSA-N 374.397 3.765 0 40 FHAB Fc1ccc2[nH]c3c(N4CCN(C5CCCCC5)CC4)ncnc3c2c1 2309763 UMFRQKUSTIIENF-UHFFFAOYSA-N 353.445 3.705 0 40 FHAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cc(C)n(C)n3)c12 36613875 SQHDAEROYNZULI-UHFFFAOYSA-N 365.368 3.632 0 40 FHAB Cc1cccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1 12802098 WETHHXPOZUGOJL-UHFFFAOYSA-N 353.447 3.694 0 40 FHAB COC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 2645233 RSZIFBRDRZWDDU-CQSZACIVSA-N 353.447 3.896 0 40 FHAB Cc1ccc(C)c(NC(=O)[C@H](C)N(C)Cc2ccc3c(c2)OCCO3)c1 12807372 QLYNEMBGOYFDHB-INIZCTEOSA-N 354.450 3.534 0 40 FHAB COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCC(C)C)c3n2)cc1 2770174 CRCPIFXLNSGTRN-UHFFFAOYSA-N 374.391 3.728 0 40 FHAB COc1ccccc1NC(=O)c1cccc(I)c1 3481838 WEBDBNKLIJGABQ-UHFFFAOYSA-N 353.159 3.552 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc(C)nc3ccccc23)c1C 3597496 KVNKJSOUJIXXIG-UHFFFAOYSA-N 364.401 3.730 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)CCOc1ccc(C)c(C)c1 13012262 ZHAGBNKLSLPUQT-UHFFFAOYSA-N 356.422 3.678 0 40 FHAB CCOC(=O)C1CCN([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 13038430 PNDIFIAKEIJXMF-LLVKDONJSA-N 373.280 3.596 0 40 FHAB Cc1nc2n(c(=O)c1C)CN(C1CC1)CN2c1cc(Cl)cc(Cl)c1 38830202 SYCRPVVETHSIDG-UHFFFAOYSA-N 365.264 3.698 0 40 FHAB COc1cccc2c1ccn2CC(=O)Nc1nc(-c2cccnc2)cs1 71288049 WBZARMYZBSMLPP-UHFFFAOYSA-N 364.430 3.807 0 40 FHAB O=C(CCCn1cccn1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 63537384 DTXRULUVNFXCMN-FQEVSTJZSA-N 373.460 3.640 0 40 FHAB CC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1Cl 4019604 SZHPHAFNBHMVCL-UHFFFAOYSA-N 367.796 3.746 0 40 FHAB COc1ccccc1N1C[C@@H](C(=O)Nc2cc(Cl)ccc2C)CC1=O 5002150 DOENFEJXWOJEIX-ZDUSSCGKSA-N 358.825 3.649 0 40 FHAB COc1ccc(Cc2nn3c(-c4ccc(N(C)C)cc4)nnc3s2)cc1 5347473 KGQFXHSZWXPUHN-UHFFFAOYSA-N 365.462 3.518 0 40 FHAB O=C(Nc1nc(-c2ccccc2)ns1)N1CCO[C@H](c2ccccc2)C1 65787370 GZCOJQMOCACQTL-INIZCTEOSA-N 366.446 3.811 0 40 FHAB COc1ccccc1C(=O)NCCC(=O)Nc1ccc(C(C)(C)C)cc1 14474492 DUJZJCLYQOOOJD-UHFFFAOYSA-N 354.450 3.751 0 40 FHAB COC(=O)c1sc2ncc(/C=C3\C(=O)Nc4ccccc43)cc2c1C 66020762 WMTWSGTWNISKGR-ZSOIEALJSA-N 350.399 3.884 0 40 FHAB CC(=O)c1cccc(OCC(=O)Nc2ccccc2OC(F)(F)F)c1 9366769 NXFNRJJKJKZKBY-UHFFFAOYSA-N 353.296 3.805 0 40 FHAB CCOC(=O)c1cc(NCc2ccccc2C)ccc1N1CCOCC1 4705486 LHLANSQWYVBJSX-UHFFFAOYSA-N 354.450 3.620 0 40 FHAB CCCc1n[nH]c(SCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)n1 14897646 RFJUMCYRXSOTKL-CYBMUJFWSA-N 358.511 3.606 0 40 FHAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(Cc2ccc(Cl)cc2)C1=O 5791460 BXFGMTKJGBXCMH-QGZVFWFLSA-N 350.752 3.585 0 40 FHAB C[C@H](CNC(=O)[C@@H](C)Sc1nc(-c2ccccc2)n[nH]1)c1ccccc1 9450863 CLYLKGRRCBIQGM-HUUCEWRRSA-N 366.490 3.872 0 40 FHAB Cc1ccc(-c2nnc(SCc3nc4ccccc4nc3C)n2N)cc1 5936621 QDTWZSBLRJPEPH-UHFFFAOYSA-N 362.462 3.511 0 40 FHAB O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccco1)Cc1ccco1 7309680 DUOMJPDZMNVEDS-UHFFFAOYSA-N 351.811 3.917 0 40 FHAB Cc1ccc([C@H](CNC(=O)COc2ccc(F)cc2)N2CCC(C)CC2)o1 15860289 KJUNMPVWJXVQJR-IBGZPJMESA-N 374.456 3.695 0 40 FHAB CCn1c(SCC(=O)NCc2ccccc2C)nnc1-c1ccccc1 7768324 TYVHHGZHPNNRQN-UHFFFAOYSA-N 366.490 3.682 0 40 FHAB O=C(N[C@@H]1CCSc2ccccc21)c1ccc(N2CCCC2=O)cc1 7780368 DERLITGLRHQPPA-QGZVFWFLSA-N 352.459 3.780 0 40 FHAB Cc1ccc(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)cc1F 7927343 LGVRPXONBDRSRP-INIZCTEOSA-N 362.470 3.815 0 40 FHAB COc1cc(S(=O)(=O)Nc2ccc(C)cc2C)c(OC)cc1Cl 8132572 MKFRDGLHRBKWDO-UHFFFAOYSA-N 355.843 3.775 0 40 FHAB Cc1ccc2nc(N3CCOCC3)c(/C=C3\SC(=S)N=C3O)cc2c1 19995020 KNHVMPRMOMHWFP-GDNBJRDFSA-N 371.487 3.709 0 40 FHAB Cc1ccc(-n2c(S)nc3sc4c(c3c2=O)CC[C@H](C)C4)cc1O 17074014 DUPVXFWRXZDWEH-VIFPVBQESA-N 358.488 3.875 0 40 FHAB COc1ccccc1CNC(=O)CCc1ncc(-c2ccccc2F)o1 8757036 DQDGGHAQEFVVNN-UHFFFAOYSA-N 354.381 3.738 0 40 FHAB COc1ccccc1CN(C)C(=O)COc1ccc(F)c2c1C(=O)C[C@@H]2C 8762981 VDUUECQAIMOXNN-ZDUSSCGKSA-N 371.408 3.562 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cn(C)c2ccccc12)CC3 72325455 BMEYMLJFQYXPBQ-UHFFFAOYSA-N 359.429 3.867 0 40 FHAB biogenic C[C@H](NC(=O)c1cc(Cl)ccc1O)c1nc(-c2cccc(F)c2)no1 72304639 HGTHUVZCJOXURK-VIFPVBQESA-N 361.760 3.726 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)O)s2)cc1C(F)(F)F 95377521 BLFJJECQUOUWKR-UHFFFAOYSA-N 365.354 3.574 0 40 FHAB O=C(OCC(COC(=O)c1ccco1)c1cccc(F)c1)c1ccco1 95429414 OGQQIUGYKPWJBU-UHFFFAOYSA-N 358.321 3.809 0 40 FHAB Cc1cc(NS(=O)(=O)c2c(C)sc3ccc(Cl)cc23)n(C)n1 84919664 HINIGDZPRKOPIB-UHFFFAOYSA-N 355.872 3.706 0 40 FHAB C[C@H]1CCN(C(=O)COc2ccc3c(c2)CCC(=O)N3)[C@@H](c2ccco2)C1 75389037 ROVXEUKTNQQSOD-KBXCAEBGSA-N 368.433 3.543 0 40 FHAB C[C@@H](OC(=O)c1cccs1)C(=O)Nc1ccccc1Br 22736849 RMSBNCOGKOZMAF-SECBINFHSA-N 354.225 3.695 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 26529412 KMGATYLKSRTOHY-MRXNPFEDSA-N 358.869 3.765 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1C(=O)NC(C)C 408591689 JCPJUYAEHDDSSN-UHFFFAOYSA-N 366.870 3.587 0 40 FHAB O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCCO2 21323208 MKPGEAMYGOKACN-UHFFFAOYSA-N 373.352 3.668 0 40 FHAB O=C(c1cccc2[nH]ncc12)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 501144813 WUGOAWQUHHNVGJ-UHFFFAOYSA-N 374.366 3.544 0 40 FHAB Cc1[nH]c2ccc(CNC(=O)N3CC(C)(C)[C@H]3c3nccn3C)cc2c1C 521556551 YLAKIBPWQJGJAY-GOSISDBHSA-N 365.481 3.811 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(COCC(F)(F)F)cc1 32869076 XHFIVHXPNALJRG-UHFFFAOYSA-N 353.296 3.747 0 40 FHAB Cc1nc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c(C)s1 79495563 LVSCISZMWQVCHW-UHFFFAOYSA-N 350.871 3.537 0 40 FHAB CC(C)c1ccccc1OCCNS(=O)(=O)c1ccc(Cl)cc1 78644061 XUOQORYXPPKLKX-UHFFFAOYSA-N 353.871 3.821 0 40 FHAB Cc1ccc(CSCCNC(=O)c2ccc(Cn3ccnc3)cc2)cc1 38837300 ZDFHTACYTBYAHB-UHFFFAOYSA-N 365.502 3.903 0 40 FHAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@H]2c1ccc(F)c(Cl)c1 71279788 RYKGOYWVBRIKFE-NSHDSACASA-N 365.792 3.671 0 40 FHAB O[C@@H](CSc1ccccc1)CN1CCN(c2ccc(Cl)cc2)CC1 31666887 ZQCBFAAEASIQQB-GOSISDBHSA-N 362.926 3.615 0 40 FHAB Cc1ccc(C)c(OCCNC(=O)C2(c3ccccc3)CCOCC2)c1 224047608 VYGSBNQGLRJTQP-UHFFFAOYSA-N 353.462 3.547 0 40 FHAB CCn1c(=O)sc2cc(NC(=O)[C@H](C)Oc3ccc(C)cc3)ccc21 225102312 TVGXOWBJUJSLAL-ZDUSSCGKSA-N 356.447 3.797 0 40 FHAB CN(Cc1ccccc1F)S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 223745350 AZFQASUXPRFSMP-UHFFFAOYSA-N 363.454 3.750 0 40 FHAB COc1ccc(S[C@H](C)C(=O)NCCOc2ccc(C)cc2C)cc1 224340159 PAOGPXNZUUBZOT-MRXNPFEDSA-N 359.491 3.988 0 40 FHAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225021705 XSPTWWOALKUYCU-GFCCVEGCSA-N 358.488 3.860 0 40 FHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 225094174 OAVHOMXDUKPEPI-RBUKOAKNSA-N 366.505 3.870 0 40 FHAB Cc1nc(CN2C[C@@H]3CCCN3C[C@@H]2Cc2ccccc2)c2ccccn12 43568722 PAEYFZLXFURZKC-SFTDATJTSA-N 360.505 3.534 0 40 FHAB Cc1ccc(OCCNC(=O)C2CCN(Cc3ccccc3)CC2)c(C)c1 224525845 LWMPRKJSMHUFQU-UHFFFAOYSA-N 366.505 3.711 0 40 FHAB CCSc1nnc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)s1 222692583 ZTWJABURMLDUJB-GFCCVEGCSA-N 351.497 3.981 0 40 FHAB CCC(C)(C)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2C)c1 224126705 WVABRWNSDXKLHP-UHFFFAOYSA-N 374.506 3.739 0 40 FHAB CC(C)(C)Cc1c(C(=O)O)cc(C(=O)O)c(CC(C)(C)C)c1C(=O)O 96319132 HHHNIDPQTUPFFX-UHFFFAOYSA-N 350.411 3.958 0 40 FHAB Cc1ccc(CN2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@H]32)s1 248113445 RPOKHDYDPWYAEF-DFQSSKMNSA-N 358.507 3.648 0 40 FHAB CCC[C@@]1(CO)CCN(C(=O)c2c(C)n(C3CC3)c3ccc(OC)cc23)C1 585085073 CCNLLZOBPOWPTE-JOCHJYFZSA-N 370.493 3.918 0 40 FHAB O=C(c1cc2ccc(F)cc2[nH]1)N1C[C@H]2CC[C@H](Oc3cccnc3)[C@H]2C1 257297285 RGQUKJGWQPDFOO-LIVBEALHSA-N 365.408 3.632 0 40 FHAB COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)c(F)c1 257238785 HMNDLDHXUQNCLV-XDWNQLFDSA-N 361.457 3.853 0 40 FHAB O=C(O)c1cccc(OCCN2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c1 652512369 GMRPIDXQXGCDLJ-ACRUOGEOSA-N 367.445 3.758 0 40 FHAB CCc1cc(C(=O)N2CCc3c(O)ncnc3C2)sc1-c1ccccc1 654995418 QILVKIGCUWRFQO-UHFFFAOYSA-N 365.458 3.672 0 40 FHAB Cc1cnn([C@H]2CCCN(C(=O)Cc3ccc(C(F)(F)F)cc3)C2)c1 109685533 KEMGOUXRKONWLK-INIZCTEOSA-N 351.372 3.617 0 40 FHAB Cc1cc(C(=O)N2CCC(c3ncc(C(=O)O)s3)CC2)c(C)s1 630241748 DJVZJXDKMWIUBH-UHFFFAOYSA-N 350.465 3.539 0 40 FHAB COc1cc(C)c([C@H](C)NC[C@@H]2CCCO[C@H]2c2cc[nH]n2)cc1OC 643927294 ZPBBSGIVTPSAEI-AUSJPIAWSA-N 359.470 3.554 0 40 FHAB O=C(N[C@@H]1COc2ccccc21)N1CCC(c2ccc3cccnc3n2)CC1 585091094 XJXHVNFPJZLREI-LJQANCHMSA-N 374.444 3.653 0 40 FHAB COC(=O)c1c(Br)cc(Br)cc1Br 166371462 FCVBZWIVKMPUME-UHFFFAOYSA-N 372.838 3.761 0 40 FHAB C[C@H]1Cc2cc(/C=C/[C@]34NC(=O)CN3c3ccccc3C4(C)C)ccc2O1 2110982 TWCVOODGGUWAPC-QGMQAZLXSA-N 360.457 3.647 0 40 FHAB biogenic Cc1ccc(-c2cs/c(=N\C(=S)NC(=O)c3ccccc3)[nH]2)cc1 842868 UMYJYRRLCCMRRF-UHFFFAOYSA-N 353.472 3.667 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c1 5329613 RCRJNWZAHREZLX-UHFFFAOYSA-N 358.463 3.539 0 40 FHAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cccc(F)c1 17074196 NCFBFLBYKWJWJS-UHFFFAOYSA-N 360.344 3.879 0 40 FHAB O=C(c1ccccc1)c1ccccc1NC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O 17074731 FCYHIISRWIABQG-QGWWYQLQSA-N 363.413 3.603 0 40 FHAB Cc1noc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)c1C 19558033 NUBNZZNUTULQNI-KRWDZBQOSA-N 368.412 3.727 0 40 FHAB CN(C)CCC1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n(C)n2)CC1 19660442 ICHCVSGEDKHADY-UHFFFAOYSA-N 374.916 3.544 0 40 FHAB CN(C)[C@@H](C(=O)Nc1nnc(C2CCCCC2)s1)c1ccc(F)cc1 19661329 AYPBASVUBGWVDU-OAHLLOKOSA-N 362.474 3.966 0 40 FHAB COc1cccc([C@H]2CCCN2C(=O)c2cn3cc(Cl)ccc3n2)c1 19716861 ZPAJZVQOAKGGPD-QGZVFWFLSA-N 355.825 3.974 0 40 FHAB COc1cccc(CN2C(=O)C[C@@](C)(c3ccc(F)cc3)C2=O)c1Cl 664037554 CCKUIOVVPBIONK-IBGZPJMESA-N 361.800 3.705 0 40 FHAB CN(Cc1cccc(OC(F)(F)F)c1)Cc1nc(-c2ccccn2)no1 675324511 NCZZMZPWZGKUBQ-UHFFFAOYSA-N 364.327 3.662 0 40 FHAB CC[C@@H](NC(=O)c1nn(-c2ccccc2)cc1OC)c1ccc(OC)cc1 18131910 VGGFACUUOZADPE-GOSISDBHSA-N 365.433 3.771 0 40 FHAB O=C(CSc1nnc2ccccn12)c1ccc(Br)s1 6115210 ONPSUVCCVVSPRX-UHFFFAOYSA-N 354.254 3.528 0 40 FHAB Cc1nccc(N2CCC(CN(C)c3cc(C(F)(F)F)ccn3)CC2)n1 1888866529 FYDXSYREYZOIOE-UHFFFAOYSA-N 365.403 3.552 0 40 FHAB COc1cccc(C(=O)O[C@H](C)C(=O)Nc2cccc3ccccc23)c1O 21140384 DLAUVFWYAHYLQB-CYBMUJFWSA-N 365.385 3.738 0 40 FHAB CCOC(=O)c1oc2ccccc2c1NC(=O)COc1ccc(C)cc1 4162674 QSQLQUNQXIRITN-UHFFFAOYSA-N 353.374 3.935 0 40 FHAB CCOC(=O)[C@H](CC)Sc1nnc(NC(=O)Nc2ccccc2)s1 4851578 OFTJMWSNACDESW-NSHDSACASA-N 366.468 3.616 0 40 FHAB Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)Nc1ccc(Cl)cc1 12166042 VTDOLJIZMNWULG-UHFFFAOYSA-N 368.820 3.870 0 40 FHAB Cc1cc(C(=O)N(Cc2ccccn2)c2nc3ccccc3s2)on1 12422284 FNKRHRJNXKSVBZ-UHFFFAOYSA-N 350.403 3.835 0 40 FHAB CCc1nc2sc([C@H](c3ccc(F)cc3)N3CCCCC3)c(O)n2n1 22853061 XSLVDBDCLQMSHJ-HNNXBMFYSA-N 360.458 3.773 0 40 FHAB Cc1ccc([C@H](CNC(=O)c2ccc3ccccc3c2)N2CCOCC2)cc1 23105868 CWPSBTMDYCCKQG-QHCPKHFHSA-N 374.484 3.952 0 40 FHAB O=C(/C=C/c1cccs1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225729820 YSQXITCPKLHXGL-OOPCZODUSA-N 368.380 3.855 0 40 FHAB Cc1noc(C)c1CN1CCc2nc3ncc(Br)cc3cc2C1 2298067730 CMRAZKCLDRRASQ-UHFFFAOYSA-N 373.254 3.555 0 40 FHAB COC(=O)Cn1/c(=N/C(=O)c2ccc(Cl)cc2)sc2cc(C)ccc21 100875995 VEPGOECBAQWBRG-ZZEZOPTASA-N 374.849 3.579 0 40 FHAB Cc1cc(=O)oc(C)c1C(=O)O[C@@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 40017799 AMRCVQDVTGSFIN-JHMRYYBSSA-N 358.434 3.587 0 40 FHAB C[C@@H](NC(=O)c1ccc(OCc2nccn2C)cc1)c1cccc(F)c1 40143439 QGEGLIBWJGJEOW-CQSZACIVSA-N 353.397 3.629 0 40 FHAB Cc1ccccc1CCNC(=O)C1CCN(C(=O)c2ccccc2C)CC1 32678544 IAOXFLJYWXROON-UHFFFAOYSA-N 364.489 3.515 0 40 FHAB O=C(C1CCN(Cc2cccc(F)c2F)CC1)N1CCc2ccccc2C1 32804150 SKLPYNFZKZJQER-UHFFFAOYSA-N 370.443 3.762 0 40 FHAB C[C@@H](Sc1ccc(C(F)(F)F)cn1)C(=O)Nc1ccc2c(c1)OCO2 21636912 VSXHLCOKTMMQGL-SECBINFHSA-N 370.352 3.948 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1noc(-c2ccc(OC)cc2)n1 21800734 NMSDKNJPMMGPOL-INIZCTEOSA-N 371.368 3.680 0 40 FHAB CCN1C(=O)[C@@]2(NCCc3c2c(C)n(-c2ccccc2)c3C)c2ccccc21 22096348 RXRZNCJMQXAVLK-XMMPIXPASA-N 371.484 3.850 0 40 FHAB Cc1cc(C(=O)N2CCC[C@H]2c2cccs2)ccc1N1CCNC1=O 53119946 LEXKZSKOSYQERF-INIZCTEOSA-N 355.463 3.563 0 40 FHAB CCOC(=O)c1cnc(SC)nc1Oc1ccc2c(C)cc(=O)oc2c1 642848 XAMGLYMYPDRVJS-UHFFFAOYSA-N 372.402 3.582 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(O)cc3)n2C)cc1 787036 YSXKTKBFDYTYEU-CYBMUJFWSA-N 368.462 3.615 0 40 FHAB COc1ccccc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 820730 LSECAZYZXRCLSU-UHFFFAOYSA-N 372.380 3.748 0 40 FHAB Cc1cc(C)nc(S[C@H](C)C(=O)Nc2ccc(Br)cc2)n1 873415 YUROOLPFTZROBG-LLVKDONJSA-N 366.284 3.975 0 40 FHAB CC(C)OC(=O)CSc1nnc(COc2ccc3ccccc3c2)n1C 892182 SKBNXIJUCNRLKM-UHFFFAOYSA-N 371.462 3.591 0 40 FHAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccncc3)o2)c(C)c1 1095671 UAGUHHFQCMGQNW-UHFFFAOYSA-N 354.435 3.788 0 40 FHAB COc1ccc(CN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C(C)=O)cc1 1359480 ICFLOIMSFSRODJ-UHFFFAOYSA-N 364.445 3.702 0 40 FHAB Cc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)N(C)C)c2c1 1367415 JZGZKXOBZIAXDX-UHFFFAOYSA-N 355.438 3.925 0 40 FHAB CC[C@](C)(C(=O)NC1CCCC1)N(C(=O)c1ccccn1)c1ccccc1 2457419 HZLVNLDABBFDQW-JOCHJYFZSA-N 365.477 3.956 0 40 FHAB CCOc1ccc(-n2ccnc2SCC(=O)NCc2ccccc2)cc1 2723230 WRUZYFJOFOBIAQ-UHFFFAOYSA-N 367.474 3.680 0 40 FHAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)/C=C/c1ccc(F)cc1 3352779 ANTAKOGZFHZDAD-KPKJPENVSA-N 374.843 3.657 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)Cc1c(F)cccc1Cl)CC2 3423040 LYICMMPHGIXSJS-UHFFFAOYSA-N 363.816 3.624 0 40 FHAB CN(C(=O)Cc1cccs1)C1(C(=O)NC2CCCCC2)CCCCC1 3626054 GAFAOTKNGUQTNP-UHFFFAOYSA-N 362.539 3.901 0 40 FHAB COc1ccc(-n2ncc3c(Nc4cccc(C(C)=O)c4)ncnc32)cc1 3912207 QADLZPOVLPBGHK-UHFFFAOYSA-N 359.389 3.770 0 40 FHAB Cc1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)sc2nc(-c3ccc(F)cc3)cn12 4003765 BYXVPIYVBOVFHA-RYUDHWBXSA-N 373.453 3.760 0 40 FHAB COc1ccccc1-c1nnc(NC(=O)c2cccc(Br)c2)o1 4329726 OECQDFCABGMDGN-UHFFFAOYSA-N 374.194 3.760 0 40 FHAB CCc1nnc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)s1 4416021 BDGHAEWYYNOYTH-LLVKDONJSA-N 373.507 3.565 0 40 FHAB COc1ccc(-c2cc(C(F)(F)F)n(-c3nc(C(=O)O)cs3)n2)cc1 4477279 SNRUUBGEISSOKC-UHFFFAOYSA-N 369.324 3.721 0 40 FHAB CCC(C)(C)NC(=O)[C@H](OC(=O)c1cccs1)c1ccccc1OC 4901382 LQXHPZVZAUAPEE-MRXNPFEDSA-N 361.463 3.960 0 40 FHAB Cc1ccc(OCCOC[C@H](O)CNC(C)(C)CC(C)(C)C)cc1C 4942394 CKQFLBLKBWSMIN-GOSISDBHSA-N 351.531 3.864 0 40 FHAB Cc1cc(C)cc(NC(=O)CN2CCC(C(=O)c3ccccc3)CC2)c1 4966653 DCUPORNJERTEOV-UHFFFAOYSA-N 350.462 3.837 0 40 FHAB CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(c2nc(C)cc(C)n2)C1 4968002 KTRCZRPPJIOQKG-GOSISDBHSA-N 352.482 3.819 0 40 FHAB Cc1nnc(S/C(=C\c2cccc(OCc3ccccc3)c2)C(=O)O)[nH]1 5047177 JNLOXYZRNHIVHB-BOPFTXTBSA-N 367.430 3.910 0 40 FHAB O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1Cl 5250618 QEQFSLOFMYNHME-UHFFFAOYSA-N 364.854 3.522 0 40 FHAB COc1ccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1OC 5261930 SJWODHHANATZGR-UHFFFAOYSA-N 368.477 3.597 0 40 FHAB COc1cccc2[nH]c(C(=O)Nc3ccc4c(c3)N3CCN=C3S4)cc12 5323670 JPRYVHVVSXIKPJ-UHFFFAOYSA-N 364.430 3.711 0 40 FHAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1nccs1 5574442 ZNZNZRPIQFEFBY-MRXNPFEDSA-N 351.431 3.643 0 40 FHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)COc1cccc(F)c1 5753674 BAOOLCCZNHIKRA-FHLIZLRMSA-N 366.429 3.752 0 40 FHAB Cc1nnc(S/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)O)[nH]1 6129870 UYXCSEHUAJNVQT-BOPFTXTBSA-N 367.430 3.910 0 40 FHAB CN(CCOc1ccc(Cl)cc1)CC(=O)Nc1cc(F)ccc1F 6882323 PCCCHYCDADTHNB-UHFFFAOYSA-N 354.784 3.568 0 40 FHAB CCCNc1c(NC(=O)c2cccc(OC)c2)c(=O)oc2ccccc12 6917543 TYIOUZJZYLFGRI-UHFFFAOYSA-N 352.390 3.876 0 40 FHAB O=C(Cc1c(F)cccc1Cl)O[C@H](C(=O)NC1CC1)c1ccccc1 6986992 KILINYYANACKIZ-SFHVURJKSA-N 361.800 3.585 0 40 FHAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1O 7113371 BQMIFLSVXUCABX-OAHLLOKOSA-N 352.312 3.530 0 40 FHAB COc1cc(COC(=O)c2c(OC)cccc2OC)ccc1OC(F)F 7134651 KBMKCKDTRMADJK-UHFFFAOYSA-N 368.332 3.671 0 40 FHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc2cc(Cl)ccc2o1 8021147 IRTHVOWROLKXRA-UHFFFAOYSA-N 360.772 3.936 0 40 FHAB COc1cccc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1 8390735 ZBJSMVCOWPYBPM-UHFFFAOYSA-N 364.449 3.828 0 40 FHAB Cc1nn(C[C@H](C)C(=O)n2nc(C)c(Br)c2C)c(C)c1Cl 8714507 KEVFHUNHHHVXGA-ZETCQYMHSA-N 373.682 3.706 0 40 FHAB CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cc3ccccc3[nH]2)cc1 9514561 BSRQWSKLWNEZDF-LBPRGKRZSA-N 350.374 3.555 0 40 FHAB O=C(NCCCc1nc2ccccc2[nH]1)NCc1ccc(OC(F)F)cc1 9756381 GKIXDGAKIYRFQJ-UHFFFAOYSA-N 374.391 3.596 0 40 FHAB CCc1ccc(C(=O)CCC(=O)Nc2cccc(N3CCCC3=O)c2)cc1 11916265 INBZOMBWPYAWLU-UHFFFAOYSA-N 364.445 3.977 0 40 FHAB CCCOc1ccc(-c2nonc2NC(=O)COc2ccc(F)cc2)cc1 12062641 WXTJRQKUFBZXNA-UHFFFAOYSA-N 371.368 3.682 0 40 FHAB Cc1cccc(C2(O)CCN(Cc3c[nH]nc3-c3cccs3)CC2)c1 12147582 COENFPJFUUIFFJ-UHFFFAOYSA-N 353.491 3.930 0 40 FHAB CCc1c(C)noc1-c1cnc(N(CC)CC)nc1-c1cnc(C)cn1 12156538 NSFAJRFUDBTGEL-UHFFFAOYSA-N 352.442 3.614 0 40 FHAB O=C(NCCc1c[nH]c2ccccc12)c1nc(-c2ccc3cc[nH]c3c2)no1 12409235 YLNXGEBTDXGWLQ-UHFFFAOYSA-N 371.400 3.672 0 40 FHAB CSc1ccc(C)c(C(=O)N2CCC[C@@H]2c2nnc3ccccn23)c1 12776395 APTJSHOTZMXQNA-MRXNPFEDSA-N 352.463 3.737 0 40 FHAB CN(CCO)c1nc(-c2ccccn2)nc2sc(-c3ccccc3)cc12 12794548 BXFPUUZDFWBQPH-UHFFFAOYSA-N 362.458 3.849 0 40 FHAB O=c1[nH]c(CSc2nnc(C3CC3)o2)nc2scc(-c3ccco3)c12 12803292 YHMIKGHUXKQUFN-UHFFFAOYSA-N 372.431 3.797 0 40 FHAB O=C(NC[C@H]1CCCO1)c1sc(-c2ccco2)nc1-c1ccccc1 12848598 HQPVKVIRHTYGFF-CQSZACIVSA-N 354.431 3.979 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c(C)c1 13040629 ABPZUWXFBDGCCW-OAHLLOKOSA-N 360.479 3.633 0 40 FHAB Cc1cccc(C)c1NC(=O)CNC(=O)COc1ccccc1C(C)(C)C 14094037 DFRJHORGAFSZEU-UHFFFAOYSA-N 368.477 3.735 0 40 FHAB O=C(Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O)c1ccc[nH]1 14112562 ZKJAJHIZDJACNQ-UHFFFAOYSA-N 369.833 3.989 0 40 FHAB O=c1cc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)c2ccccc2[nH]1 15021805 ANDJIPWOWHSHKU-UHFFFAOYSA-N 373.441 3.726 0 40 FHAB CCN(CC)Cc1ccc(CNC(=O)COc2cc(C)cc(C)c2)cc1 15617257 GQFJORMVLWHJEB-UHFFFAOYSA-N 354.494 3.840 0 40 FHAB O=C(CCc1ccccc1)NCc1c(-c2ccccc2)nc2n1CCS2 17178759 OQFUKTXJFDORSE-UHFFFAOYSA-N 363.486 3.905 0 40 FHAB NC(=O)C1CCN(c2ccc3cccc(OCc4ccccc4)c3n2)CC1 17189487 GASBVBMYAWUAEJ-UHFFFAOYSA-N 361.445 3.516 0 40 FHAB C[C@H](Sc1nc2sccc2c(=O)[nH]1)C(=O)c1c[nH]c2ccccc12 17734714 MIHITWQZOYJSDY-VIFPVBQESA-N 355.444 3.829 0 40 FHAB CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2Cc1ccccc1 19017766 SEMNTIYDUJNZHD-YPAWHYETSA-N 352.453 3.805 0 40 FHAB Fc1ccc(CN2[C@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)cc1F 19292828 BYIXXDKPYIFJGI-IFXJQAMLSA-N 356.420 3.617 0 40 FHAB CC1CCN([C@H](CNC[C@@H](O)COc2ccccc2)c2cccs2)CC1 19359810 XVMDYZMIUIBHTN-UYAOXDASSA-N 374.550 3.551 0 40 FHAB CC(C)[C@@H](NC(=O)C[C@H](C)n1cccn1)c1ccc2c(c1)OCCCO2 19445795 VGMOIAHCCPZIAS-MGPUTAFESA-N 357.454 3.509 0 40 FHAB Cc1nn2c(nnc3c(=O)n(-c4cccc(F)c4)ccc32)c1-c1ccccc1 19818891 VOCHMMTVZRDNGN-UHFFFAOYSA-N 371.375 3.543 0 40 FHAB O=C1NCCCC[C@H]1Sc1ncc(-c2ccc(Br)cc2)[nH]1 22202378 HXYSBHQCUMAUFZ-CYBMUJFWSA-N 366.284 3.600 0 40 FHAB Cc1cc2occ(CC(=O)NCc3nnc4ccccn34)c2cc1C(C)C 22615751 SOFYLAUJQPQDMW-UHFFFAOYSA-N 362.433 3.766 0 40 FHAB Cc1noc(C)c1CCC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 23917788 MOOLJLKTQJSOQA-FQEVSTJZSA-N 358.438 3.509 0 40 FHAB O=C(Cn1cnc2cc(F)c(F)cc21)Nc1ccc(OC(F)F)cc1 24425345 GARCTVSQSDTPAE-UHFFFAOYSA-N 353.275 3.555 0 40 FHAB CN(Cc1ccc(Cl)cc1Cl)CN1C(=O)NC2(CCCCC2)C1=O 24601695 KQMLIIVCCSCVNZ-UHFFFAOYSA-N 370.280 3.637 0 40 FHAB COC(=O)c1ccc(CSCC(=O)N[C@@H]2CCCc3ccccc32)cc1 25222009 RYRLJHVMDLQXMN-LJQANCHMSA-N 369.486 3.900 0 40 FHAB COc1ccc([C@@H](CNC(=O)c2ccccc2C)N2CCCCC2)cc1 27667724 KSNUVMJVAJBFOS-OAQYLSRUSA-N 352.478 3.961 0 40 FHAB biogenic C[C@@H]1Cc2cc(-c3cc(C(=O)Nc4ccc(Cl)cn4)no3)ccc2O1 28251660 GTOIHDLANQYKCI-SNVBAGLBSA-N 355.781 3.966 0 40 FHAB COc1ccc(-c2nc(CS[C@H](C)C(=O)Nc3cc(C)on3)co2)cc1 31424669 FBGKEXFSZHBTDI-GFCCVEGCSA-N 373.434 3.907 0 40 FHAB COc1ccc(-c2csc3nc(SCCCN(C)C)nc(N)c23)cc1 32097257 OLMFJCVYTQMBGZ-UHFFFAOYSA-N 374.535 3.993 0 40 FHAB CCN(Cc1ccc2c(c1)OCCO2)Cc1cn2cc(Cl)ccc2n1 32836140 GCANVSYABZWFJO-UHFFFAOYSA-N 357.841 3.781 0 40 FHAB Cc1sc2nc(CN3CCOCC3)nc(N3C[C@@H](C)C[C@@H](C)C3)c2c1C 33012198 BHMIENDXJZZZOQ-OKILXGFUSA-N 374.554 3.623 0 40 FHAB O=C(Nc1ccc(Cl)cc1)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 34952997 NTZTYDVLRABXAP-SFHVURJKSA-N 371.868 3.695 0 40 FHAB O=C(Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1)c1cccc(F)c1 35597367 AUKMMCXNDVQOBO-UHFFFAOYSA-N 374.379 3.797 0 40 FHAB COc1ccc(-c2csc(-c3nnn(-c4cccc(F)c4)c3N)n2)cc1 38652194 UZWMJUFKGFDGPE-UHFFFAOYSA-N 367.409 3.788 0 40 FHAB Cc1nc(-c2ccccn2)sc1C(=O)NCCOc1cccc(Cl)c1 40113656 KGANXRMRJNONNA-UHFFFAOYSA-N 373.865 3.976 0 40 FHAB O=C(CCn1ccc2c(Br)cccc21)NCc1ccncc1 40266547 FONAOXWGHHFYAN-UHFFFAOYSA-N 358.239 3.505 0 40 FHAB COC(=O)N[C@H](C)c1nc2ccccc2n1CCOc1ccccc1OC 41146099 DLRVIEWBLQIAND-CQSZACIVSA-N 369.421 3.541 0 40 FHAB O=C(c1cc(-c2ccco2)n[nH]1)N1CCC(COCc2ccccc2)CC1 49028664 BVAXDRSVMZSFMP-UHFFFAOYSA-N 365.433 3.739 0 40 FHAB COc1ccc(N2C(=O)C[C@@H](c3ccccc3)c3sc(=O)n(C)c32)cc1 49550648 KJBVSQLZCYRWID-INIZCTEOSA-N 366.442 3.656 0 40 FHAB COC(=O)C[C@H](NC(=O)CC(C)(C)C)c1cccc(Br)c1 53412979 GPTBRZXLJYMBMN-ZDUSSCGKSA-N 356.260 3.606 0 40 FHAB O=C(CSc1ccccc1Cl)Nc1ccccc1Cn1cncn1 55968686 KVLFKJCABFRWHL-UHFFFAOYSA-N 358.854 3.711 0 40 FHAB COc1ccccc1S(=O)(=O)N(C)[C@H](c1ccccc1)c1ccccn1 56100283 LAMAKZMQRWTRTH-HXUWFJFHSA-N 368.458 3.500 0 40 FHAB O=C(Nc1cc(NC(=O)N2CCSCC2)ccc1F)C1CCCCC1 58158424 WCLJRPYTTWGHQZ-UHFFFAOYSA-N 365.474 3.925 0 40 FHAB CC1CCN([C@@H](CNC(=O)c2cnn(C)c2C2CC2)c2cccs2)CC1 58293207 YSSUKQODWMCUEW-KRWDZBQOSA-N 372.538 3.562 0 40 FHAB COc1ccc(NS(=O)(=O)c2cccc(Br)c2)c(C)c1 61569188 GVXUMCDNQZTLLA-UHFFFAOYSA-N 356.241 3.567 0 40 FHAB C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1ncc(-c2ccc(F)cc2)o1 65492716 LQXVSFWLVKOMHI-SUMWQHHRSA-N 365.408 3.848 0 40 FHAB CO[C@@H](C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C)c1ccccc1 65563353 IIMFBVGBBCLYCN-HXUWFJFHSA-N 366.461 3.994 0 40 FHAB CN1CCN(C(=O)Nc2ccc(N3CCCCC3)nc2)Cc2ccccc21 69649614 NCOWWLCVNJALQC-UHFFFAOYSA-N 365.481 3.556 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(NC3CCC3)nc2)cc1 72213848 OFVCZJRNJYJXCA-IBGZPJMESA-N 371.506 3.880 0 40 FHAB Cc1ccc(NCCCNC(=O)Nc2nc(-c3cccnc3)cs2)nc1 72270531 UGWPVRLZWHXVLY-UHFFFAOYSA-N 368.466 3.532 0 40 FHAB O=C(COC(=O)Cc1ccccc1Cl)NCc1ccc(F)cc1Cl 72331055 QMSDOJLBQLUUPH-UHFFFAOYSA-N 370.207 3.535 0 40 FHAB C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)Nc2cccc(Cn3cccn3)c2)C1 75094197 LOKKJESCSAGKEY-IERDGZPVSA-N 370.497 3.630 0 40 FHAB O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1cnc([C@@H]2CCCO2)s1 89768785 JGSCIMKNURQVSM-AWEZNQCLSA-N 358.398 3.572 0 40 FHAB O=C(Nc1cnccc1-c1ccc(C(F)(F)F)cc1)c1cnns1 89793822 WACZZAXZIJUQOO-UHFFFAOYSA-N 350.325 3.871 0 40 FHAB COc1ccc2c(Br)c(C(=O)O)c(C(F)(F)F)nc2c1 96171853 CGSCNKOBIWIQEX-UHFFFAOYSA-N 350.090 3.723 0 40 FHAB Cn1cncc1CN1CCC2(CC1)CN(c1cccnc1)c1ccccc12 96241293 HSGNIAPCPBGJPM-UHFFFAOYSA-N 359.477 3.501 0 40 FHAB COc1ncccc1CN1Cc2ccccc2C2(CCN(C(C)C)CC2)C1 96242407 NGMAMYFXZNPXCC-UHFFFAOYSA-N 365.521 3.848 0 40 FHAB O=C(c1ccn(-c2ccc3ccc(-c4cccnc4)cn23)n1)N1CCCCC1 96267000 LGYJNEPWDMCOBF-UHFFFAOYSA-N 371.444 3.813 0 40 FHAB COC(=O)c1c(C)[nH]c(-c2ccccc2F)c1[C@@H]1C(=O)Nc2ccccc21 101620903 MJTMUIHXFMMUIG-QGZVFWFLSA-N 364.376 4.000 0 40 FHAB Cc1ccccc1OC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 102593516 BJMUZOXHYBIEIV-CPLUKWAASA-N 373.408 3.526 0 40 FHAB CC(C)c1ccc(OCC(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1 225047311 QOTZALIKBGJYFK-UHFFFAOYSA-N 356.447 3.741 0 40 FHAB Cc1ccc(C2(C(=O)Nc3ccc(OCC(=O)O)cc3)CCCC2)cc1 225512188 IBVFZPOQZNRXQT-UHFFFAOYSA-N 353.418 3.909 0 40 FHAB Cc1cc(NC(=S)NCc2cccc(F)c2)ccc1N1CCCC1=O 225837476 NQVKAWZYZCDBLI-UHFFFAOYSA-N 357.454 3.748 0 40 FHAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2CN(O)C[C@H]1C(=O)[C@@]2(C)CC[C@H]1C2(C)C 245239610 LBABUPQHIRDXKV-CZGJHWADSA-N 361.526 3.960 0 40 FHAB COc1cc2c(cc1OC)[C@@H](C)N([C@H]1CCCN(C(=O)CC(C)C)C1)CC2 248235248 BXLVLBPVMABBGJ-AEFFLSMTSA-N 374.525 3.660 0 40 FHAB Cc1cccnc1Nc1nccnc1[C@@H]1CCCN(Cc2cscn2)C1 257314962 UZHMLGMZRVNSJO-OAHLLOKOSA-N 366.494 3.760 0 40 FHAB CCc1ccc(N2C[C@H](C(=O)NCCCCc3ccccc3)CC2=O)cc1 408707180 HVHHLICZPUQJGC-HXUWFJFHSA-N 364.489 3.741 0 40 FHAB CCC(=O)Oc1ccccc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O 409193409 JWRSMRVDIHNILT-PTNGSMBKSA-N 355.777 4.000 0 40 FHAB O=C(Cc1cccc(C(F)(F)F)c1)NCCn1cc(-c2ccoc2)cn1 575615728 UFDRLIFQQWKTFU-UHFFFAOYSA-N 363.339 3.521 0 40 FHAB Cc1ccccc1CN1CCc2oc(C(=O)N3C[C@@H](C)C[C@H](C)C3)nc2C1 585111842 HPNJJDHKRLHMGD-HOTGVXAUSA-N 367.493 3.659 0 40 FHAB O=C1NCCCC12CCN(Cc1ccc(-c3cccc(F)c3)cc1)CC2 585168573 AQINOOVSBICLIK-UHFFFAOYSA-N 352.453 3.985 0 40 FHAB CC(C)[C@@H](CNC(=O)N1CCOc2cccc(F)c2C1)c1cccnc1 669871900 LOLQRZWMBAZEKM-MRXNPFEDSA-N 357.429 3.565 0 40 FHAB Cc1ccc(CCC(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)o1 673736314 QPNVOOBYWJPHEH-UHFFFAOYSA-N 374.868 3.549 0 40 FHAB O=C(NC1CC(c2cccc(Cl)c2)C1)N1CCO[C@@H](c2ccco2)C1 674699198 ACXQQWPUBYHGPP-JFUPDXTOSA-N 360.841 3.962 0 40 FHAB O=C(N[C@@H](CC1CC1)c1cc(F)cc(Br)c1)c1cnco1 681764385 IZNYDQVFAAUJDP-ZDUSSCGKSA-N 353.191 3.847 0 40 FHAB CC1(C)C[C@]2(CCCN2C(=O)c2cncs2)CN1c1ccc(F)cc1 1615123376 UQWGSXHTVSFJOO-LJQANCHMSA-N 359.470 3.946 0 40 FHAB C/C(=C\C1CCC(C)CC1)C(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1 1633249446 ADJVAQPHDSHURA-AKYHRNPLSA-N 352.482 3.977 0 40 FHAB O=C1N(c2ccccc2)CCCC[C@]12CN(Cc1ccccc1F)CCO2 2037980613 AQFPLGXQMITPTO-QFIPXVFZSA-N 368.452 3.614 0 40 FHAB CC(C)NC(=O)C1(Nc2ccccc2)CCN(C(=O)C2CCCCC2)CC1 2055756418 MNMGKMQYITXZAI-UHFFFAOYSA-N 371.525 3.565 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc(C)n2Cc2ccccc2)c1 899763 GLVASBHEBQOSHL-UHFFFAOYSA-N 352.463 3.674 0 40 FHAB Cc1ccc2cc(C)c3nnc(SCC(=O)N4CCCC4)n3c2c1C 903160 MCMJVKATKGNPIH-UHFFFAOYSA-N 354.479 3.522 0 40 FHAB Cc1ccc(C(=O)Nc2ccccc2O)cc1N1C(=O)c2ccccc2C1=O 1010679 IJNIFFIWNJMVSD-UHFFFAOYSA-N 372.380 3.754 0 40 FHAB COc1ccc([C@@H](OC(=O)c2ccco2)C(=O)NC2CCCCC2)cc1 1381054 WKNHHNNDRZBVHK-GOSISDBHSA-N 357.406 3.635 0 40 FHAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC(=O)N1Cc1cccs1 1389842 MTXQFJKWKJJDOB-AWEZNQCLSA-N 368.380 3.897 0 40 FHAB Cc1ccc(N2C(=O)S[C@@H](Nc3ccccc3C(=O)O)C2=O)cc1C 2709839 CZHWCCHXOJBJQE-OAHLLOKOSA-N 356.403 3.640 0 40 FHAB CC1=C(C(=O)OCCCc2ccccc2)[C@@H](c2cccs2)NC(=O)N1C 2757390 ARUQHALSEXXQIA-GOSISDBHSA-N 370.474 3.894 0 40 FHAB O=C(COC(=O)c1cnc(Cl)c(Cl)c1)Nc1ccccc1Cl 3238971 WBQRIDOUXVNDOK-UHFFFAOYSA-N 359.596 3.837 0 40 FHAB C[C@@H]1CCc2sc(C(=O)OCC(=O)c3ccc4c(c3)OCCO4)cc2C1 3377763 HQISLQQMUGPXPH-GFCCVEGCSA-N 372.442 3.684 0 40 FHAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1Cc1ccc(Cl)cc1Cl 3563548 JTGQERRXXHDFBQ-SFHVURJKSA-N 361.228 3.887 0 40 FHAB COc1cc(CCC(=O)N[C@@H]2CCCc3ccccc32)cc(OC)c1OC 3608540 SWBSKSGQXDHQOK-GOSISDBHSA-N 369.461 3.839 0 40 FHAB CCOc1ccc([C@H](CC(=O)O)NC(=O)[C@H](CC)c2ccccc2)cc1 3624689 SQHAZDASRNOZBN-MOPGFXCFSA-N 355.434 3.911 0 40 FHAB CC(C)CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1cccnc1 4148627 TXXDKVSRGPBDGS-KBMIEXCESA-N 362.410 3.805 0 40 FHAB COC(=O)COc1ccc2c(C)c(-c3ccc(Cl)cc3)c(=O)oc2c1 4340162 BOSVLNAFZYUHCZ-UHFFFAOYSA-N 358.777 3.974 0 40 FHAB biogenic COc1cccc(C(=O)Nc2nc3c(F)cc(F)cc3s2)c1OC 4479382 IBKUVWUYQVGNPT-UHFFFAOYSA-N 350.346 3.844 0 40 FHAB COc1ccc(OC)c(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 4487574 UBTYMWZOSWWTSU-UHFFFAOYSA-N 366.373 3.801 0 40 FHAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(C)cc3s2)cc1 4585876 LSHFOJYFANKVTN-UHFFFAOYSA-N 360.460 3.651 0 40 FHAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cccc(F)c1 4733422 NEXNOHIKXYZGNL-UHFFFAOYSA-N 367.409 3.861 0 40 FHAB O[C@]1(C(F)(F)F)[C@@H]2CCCCC2=NN1c1nc(-c2ccncc2)cs1 4916069 ZKEVILHGHHTJSI-ABAIWWIYSA-N 368.384 3.822 0 40 FHAB CCCn1c(C)cc(C(=O)Cn2cnc3c(oc4ccccc43)c2=O)c1C 5242393 MKYOERYRWSNSFR-UHFFFAOYSA-N 363.417 3.854 0 40 FHAB CCC(=O)NCc1cc(-c2nnc3c4ccccc4c(C)nn23)ccc1C 5272331 GMNNCDGCLDMCNL-UHFFFAOYSA-N 359.433 3.588 0 40 FHAB COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 5680847 LXIJEAYPCOMWJK-GFCCVEGCSA-N 364.239 3.541 0 40 FHAB Nc1nnc(SCC(=O)Nc2ccc(C(F)(F)F)cc2Cl)s1 5889758 IAPHOBJNTXSWOQ-UHFFFAOYSA-N 368.793 3.523 0 40 FHAB O=C(Cn1ccc2cc(Br)ccc21)N1CCc2ccccc21 6045721 BQRWXXMMHATECM-UHFFFAOYSA-N 355.235 3.993 0 40 FHAB CCSc1nnc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)s1 7435524 WNQWTMSRELKUMF-UHFFFAOYSA-N 367.544 3.691 0 40 FHAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 8160866 IRPBJUUSZSRFHC-LPHOPBHVSA-N 355.434 3.959 0 40 FHAB CN(Cc1nc2ccccc2s1)C(=O)c1cccc(N2CCCC2=O)c1 8266328 ACFMMETVXJQYRT-UHFFFAOYSA-N 365.458 3.695 0 40 FHAB COc1ccc(CNC(=O)c2ccccc2OCc2c(C)noc2C)cc1 8313136 PLGXAIQSLHQRDH-UHFFFAOYSA-N 366.417 3.809 0 40 FHAB CCS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2Cl)cc1 8726494 PRKDFNDBGCYMAJ-UHFFFAOYSA-N 372.273 3.968 0 40 FHAB Cc1csc(NC(=O)C2=NN(c3ccc(C)c(Cl)c3)C(=O)CC2)n1 8752587 REGFYFUVGFTRIP-UHFFFAOYSA-N 362.842 3.535 0 40 FHAB COc1ccccc1CN(C)C(=O)COc1ccc(F)c2c1C(=O)C[C@H]2C 8762979 VDUUECQAIMOXNN-CYBMUJFWSA-N 371.408 3.562 0 40 FHAB Cc1cc(C(=O)N(C[C@H]2CCCO2)c2nc3c(F)cccc3s2)no1 9206728 WBIDAZGBBVUFHY-LLVKDONJSA-N 361.398 3.558 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H](NC(=O)c1cccs1)C(C)C 9390240 ZYFFAGNQJFADJD-OAHLLOKOSA-N 366.870 3.803 0 40 FHAB C[C@@H](Sc1n[nH]c2nc3ccccc3n12)C(=O)c1ccc(F)cc1F 9466495 IHXACPDCOBZVGM-SECBINFHSA-N 358.373 3.852 0 40 FHAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc3ccccc3c2)n1 9708997 CBSSCFFKOLZNMB-UHFFFAOYSA-N 353.447 3.606 0 40 FHAB O=S(=O)(N[C@@H]1CCc2ccccc21)c1ccc(OC(F)(F)F)cc1 10752727 SAMLEUBSUKAMNU-OAHLLOKOSA-N 357.353 3.551 0 40 FHAB Cc1cc(NC(=O)[C@H](Nc2ccc3c(c2)OCCO3)c2ccccc2)no1 12534535 YIUSTGMQAIBMET-LJQANCHMSA-N 365.389 3.546 0 40 FHAB COC(=O)[C@H](C)NC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc(C)cc1)(C3)C2 13146729 LLGCIOWMDCLFGV-JZIXJXCISA-N 355.478 3.511 0 40 FHAB CCOc1ccc(S(=O)(=O)NCCCc2ccc(Cl)cc2)cc1 13613513 UXTGQQCWXLZHQA-UHFFFAOYSA-N 353.871 3.650 0 40 FHAB Cc1cccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)c1 13695353 DXYPWCVCBIQGOC-UHFFFAOYSA-N 366.461 3.948 0 40 FHAB O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1nc2ccccc2s1 14167523 DKHHZUIJOUQJKE-AWEZNQCLSA-N 355.444 3.738 0 40 FHAB COc1ccc(C(=O)Nc2ccc(C(=O)Nc3c(C)n[nH]c3C)cc2)cc1 14404401 ZPILSBJMYXDTCU-UHFFFAOYSA-N 364.405 3.540 0 40 FHAB CC[C@H](CNC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21)c1ccccc1 16261506 HPURFZJPPVDZPZ-IAGOWNOFSA-N 366.461 3.501 0 40 FHAB Cc1ccnn1C[C@H](C)C(=O)NC[C@H](c1cccs1)N1CCCCCC1 19238337 MEZQQAFZRJMDBK-FUHWJXTLSA-N 374.554 3.623 0 40 FHAB CC(C)c1nccn1CCC(=O)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1 19454459 CCOSODGILULLID-QGZVFWFLSA-N 365.481 3.679 0 40 FHAB CCC(=O)N1CCC[C@](Cc2ccc(-c3ccc(C)cc3)cc2)(C(N)=O)C1 19498578 OJAJFQJTIAJTJF-HSZRJFAPSA-N 364.489 3.709 0 40 FHAB CN(C)C1CCC2(CC1)CN(Cc1cccnc1)Cc1ccccc1O2 19584040 MTHXBIZUPJLOKW-UHFFFAOYSA-N 351.494 3.719 0 40 FHAB O=C(c1ccccc1Cn1cccn1)N1CCc2[nH]c3ccccc3c2C1 19657697 IBHYWHLZAPVMFS-UHFFFAOYSA-N 356.429 3.611 0 40 FHAB Cn1cnc2ccc(NC(=O)c3noc4c3C[C@@H](C(C)(C)C)CC4)cc21 19716504 TWJJUIBWDLEWRJ-LBPRGKRZSA-N 352.438 3.965 0 40 FHAB CCOC(=O)c1cnc2ccc(Oc3ccccc3)cc2c1NC[C@H](C)O 19793269 HWYPDKPZDNANIV-AWEZNQCLSA-N 366.417 3.997 0 40 FHAB CCOc1cccc(CNC(=O)CN2C(=O)c3cccc4cccc2c34)c1 20049298 UXLJXLWSSSSAIF-UHFFFAOYSA-N 360.413 3.515 0 40 FHAB COc1ccc(OCCCC(=O)N(C)Cc2ccc(OC)c(OC)c2)cc1 20494201 WKSCMRQCFNWKQJ-UHFFFAOYSA-N 373.449 3.530 0 40 FHAB Cc1ccc(SCC(=O)OCC(=O)N2c3ccccc3C[C@H]2C)cc1 21973959 YMSZXUAUXZDARK-OAHLLOKOSA-N 355.459 3.608 0 40 FHAB Cc1cc(C)cc(NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)c1 22379571 ANHZGCMRWKVSFE-UHFFFAOYSA-N 374.506 3.633 0 40 FHAB O=C(Nc1cccc(-c2nnco2)c1)c1ccc(OC[C@H]2CCCO2)cc1 24696907 FMNLGCCQBAMXJG-GOSISDBHSA-N 365.389 3.547 0 40 FHAB CCOC(=O)c1cc2cc(C(=O)N3CCC[C@@H](C(F)(F)F)C3)ccc2[nH]1 24859362 AXOBXHYGDWWDBS-CYBMUJFWSA-N 368.355 3.759 0 40 FHAB COc1ccc(OC)c(CNC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c1 25094903 HAVFATQPHKUGQP-UHFFFAOYSA-N 371.824 3.677 0 40 FHAB NC(=O)c1cc(Cl)ccc1OCc1nc2ccccc2n1C(F)F 25244105 DWYROXPRMVCBGO-UHFFFAOYSA-N 351.740 3.763 0 40 FHAB Cc1cc(C(=O)NCc2ccc(Br)s2)c2c(C)noc2n1 25474786 YNXACRUHEOKZMV-UHFFFAOYSA-N 366.240 3.594 0 40 FHAB O=C(CCN1CCC[C@H]1C(=O)Nc1ccccc1)Nc1cccc(Cl)c1 25950002 KZHLMPRUTWTGAX-SFHVURJKSA-N 371.868 3.772 0 40 FHAB O=C([C@H]1C[C@@H]1c1ccc(Cl)cc1)N1CCN(Cc2cccs2)CC1 28631869 FTCGBFPGIMPIGD-MSOLQXFVSA-N 360.910 3.849 0 40 FHAB COc1cccc(-c2nc3ccccc3n2CC(=O)N2CCC(C)CC2)c1 31903509 SLRZVBKUAHACAM-UHFFFAOYSA-N 363.461 3.970 0 40 FHAB Cc1ccc(C2=NN(C(=O)c3cccc(C)c3)[C@@](O)(C(F)(F)F)C2)cc1 32101066 ISOBTDACSRMKKV-SFHVURJKSA-N 362.351 3.805 0 40 FHAB CC(C)n1ncc2cc(NS(=O)(=O)C3=Cc4ccccc4CC3)cnc21 32817722 SHSYLJKGJMIKOU-UHFFFAOYSA-N 368.462 3.741 0 40 FHAB O=C(CN1CCC(c2nc3ccccc3o2)CC1)Nc1cccc(F)c1 35314099 IMBFIHXPZPAUCX-UHFFFAOYSA-N 353.397 3.785 0 40 FHAB COC(=O)c1ccc(NC(=O)c2cc(C(C)C)nc3onc(C)c23)cc1 36354734 KQRNTYPKHHKRHX-UHFFFAOYSA-N 353.378 3.694 0 40 FHAB C[C@H](NC(=O)CSCc1nc(-c2cccs2)no1)c1ccccc1 36390879 MELMCOLJFXKARS-LBPRGKRZSA-N 359.476 3.909 0 40 FHAB Cc1ccc(-n2ncc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c2C2CC2)cc1Cl 40073322 HBTGOOXQDLVPAF-ZIAGYGMSSA-N 373.884 3.961 0 40 FHAB Cc1nn(C)c(C)c1CCC(=O)N(C)[C@H](c1ccccc1)c1ccccn1 40134803 CBINUNKGKSQDHJ-JOCHJYFZSA-N 362.477 3.613 0 40 FHAB CC(C)OCc1cccc(CNC(=O)c2cncc(Br)c2)c1 48354705 RJCVMSMCXCLWDR-UHFFFAOYSA-N 363.255 3.699 0 40 FHAB COc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2ccoc2)c1 54317647 VUMYKLLNTVCXRP-UHFFFAOYSA-N 366.373 3.558 0 40 FHAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCc2ccc(C(=O)NC3CC3)cc2)o1 57403484 SWGDVCOKQWNYJP-AUUYWEPGSA-N 366.461 3.544 0 40 FHAB Cc1ccc(N2CCN(CC(=O)Nc3ccc(C)c(F)c3)CC2)c(C)c1 57720084 WSDOQLQNRVPGBT-UHFFFAOYSA-N 355.457 3.512 0 40 FHAB CN(Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)C1CCCCC1 58182320 WVZLOSCCLJOCHB-UHFFFAOYSA-N 352.479 3.594 0 40 FHAB O=C1CN(c2ccccc2)C(=O)N1Cc1csc(-c2cccs2)n1 58227363 APWSBHDUWSUFEU-UHFFFAOYSA-N 355.444 3.840 0 40 FHAB O=C(Nc1nc(-c2ccccc2)ns1)c1cc(Cl)c2c(c1)OCO2 58381565 YMECEDJLYGLRBS-UHFFFAOYSA-N 359.794 3.840 0 40 FHAB Cc1cc(C)cc(N2CC[C@@H](C(=O)NCC3(c4ccccc4)CC3)C2=O)c1 64768108 VDYIVMAAZBEVJL-FQEVSTJZSA-N 362.473 3.504 0 40 FHAB Cc1cccc(NC(=O)C2CCN(C(=O)c3sccc3C3CC3)CC2)n1 67205178 DKVHEHOJMCUCTD-UHFFFAOYSA-N 369.490 3.820 0 40 FHAB O=C(COC(=O)Cc1ccccc1Cl)NCc1ccc(F)c(Cl)c1 72331056 RGUXLTNNBZXGGW-UHFFFAOYSA-N 370.207 3.535 0 40 FHAB O[C@@H](c1cccnc1)c1ccccc1N1CCN(Cc2cccs2)CC1 72340642 FGQWEHGBRRYSPJ-NRFANRHFSA-N 365.502 3.547 0 40 FHAB COc1cc(CC(=O)NCCc2nc3cc(F)ccc3s2)ccc1C 84188025 LPQMSKQTIVLTLO-UHFFFAOYSA-N 358.438 3.654 0 40 FHAB CC[C@@H](C[C@@H](C)CO)NC(=O)C(C)(C)c1ccc(Br)cc1 89942971 JXGOHLUMESZQTG-DOMZBBRYSA-N 356.304 3.640 0 40 FHAB CCOc1cccc([C@@H]2C[C@@H]2Nc2ccc3nnc(C(F)(F)F)n3n2)c1 95463038 MYIJAVAOBIDERR-STQMWFEESA-N 363.343 3.510 0 40 FHAB COc1cccc(CN2CC[C@@]3(CCN(Cc4ccc(C)s4)C3)C2=O)c1 96050660 QBRGDNOPCHCWNX-OAQYLSRUSA-N 370.518 3.690 0 40 FHAB CSc1ccc([C@H](O)CNC(=O)c2ccccc2Br)cc1 96103128 XITAEULXZFPHPM-OAHLLOKOSA-N 366.280 3.634 0 40 FHAB C[C@@H]1c2ncc(COCc3ccncc3)n2CCN1Cc1cccs1 96109882 LBOVVFXOXXAHTI-OAHLLOKOSA-N 354.479 3.633 0 40 FHAB Clc1ccc(CNC[C@H]2Cn3cc(-c4ccccc4)nc3CO2)cc1 96296290 CHLDBUKVOGPUJX-SFHVURJKSA-N 353.853 3.892 0 40 FHAB biogenic,in-vitro CC[C@H]1CN(Cc2csc(COc3ccc(Cl)cc3)n2)CC[C@@H]1N 97165809 VGCWVKRFARFXNT-GUYCJALGSA-N 365.930 3.935 0 40 FHAB O=C(Nc1ccccc1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 97994275 ZJBDYLKQMKJYPJ-NBVRZTHBSA-N 357.373 3.570 0 40 FHAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2ccc(Br)cc2)CCC[C@H]1C 102167577 YGNAUPAAUPPCGE-XUJVJEKNSA-N 368.271 3.547 0 40 FHAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)N[C@H](C)c2ccccc2)c1 103510542 ALPMVARFXLZYFH-UZLBHIALSA-N 368.477 3.718 0 40 FHAB Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)n(-c2ccccn2)n1 107247422 AFFXMBKMKYAALP-CVEARBPZSA-N 352.825 3.971 0 40 FHAB CCc1ccc(N2C[C@@H](c3nc(COc4ccccc4)no3)CC2=O)cc1 109482491 FZCJCUVGIHNFBT-INIZCTEOSA-N 363.417 3.732 0 40 FHAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccccc1-n1ccnc1C 216343572 XSNKFQUKBMIOKL-OAQYLSRUSA-N 363.461 3.963 0 40 FHAB COCCOc1ccc(C(=O)NCc2cncc(-c3ccsc3)c2)cc1 218815964 QPLPMHBOSJSVAV-UHFFFAOYSA-N 368.458 3.765 0 40 FHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc(OC)cc1 224623105 ZBHPALXVGIURNP-SFHVURJKSA-N 363.841 3.701 0 40 FHAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1 224631051 HYUZENCFFRPAHM-NRFANRHFSA-N 366.505 3.524 0 40 FHAB COc1cc(C)c(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)c(C)c1 225250504 JYCAJRJQTPYRIJ-UHFFFAOYSA-N 355.843 3.775 0 40 FHAB CCCCC(=O)NC(=S)Nc1ccc(-c2ccc(C(=O)O)o2)c(C)c1 226351439 VZGUIUHEAUSXIY-UHFFFAOYSA-N 360.435 3.956 0 40 FHAB Fc1ccc(CN2[C@H]3CC[C@H]2c2cnc(N4CCCC4)nc2C3)cc1F 247492429 BYIXXDKPYIFJGI-LIRRHRJNSA-N 356.420 3.617 0 40 FHAB Cc1ccc(-c2nnc(-c3ccc4sc(S(C)(=O)=O)nc4c3)o2)cc1 255189604 RACGZOZNUSHORY-UHFFFAOYSA-N 371.443 3.725 0 40 FHAB COC(C)(C)C(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257229358 FXTUZAKCWYFPEX-KRWDZBQOSA-N 360.429 3.883 0 40 FHAB c1cncc(-c2ccc3nc([C@H]4CCN(Cc5cccs5)C4)nn3c2)c1 306124110 BGHCPONYBNOAJD-KRWDZBQOSA-N 361.474 3.842 0 40 FHAB Cc1cncc(C(=O)N2CC[C@]3(CCn4c(-c5cccs5)cnc43)C2)c1 306132579 LMSQGBKOHNDORZ-FQEVSTJZSA-N 364.474 3.503 0 40 FHAB CNC(=O)c1cnc(-c2noc3cc(NCc4ccccc4)ccc23)s1 390823140 UCICQWZEHJUVJM-UHFFFAOYSA-N 364.430 3.923 0 40 FHAB COc1cc(C(=O)[C@@H](Br)CBr)ccc1Cl 394503517 DCVBQNJASLFNJZ-ZETCQYMHSA-N 356.441 3.690 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN1C(=O)Oc1ccccc1 409002885 QBVROSDBHFLAGF-MRXNPFEDSA-N 374.824 3.951 0 40 FHAB COc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc(Br)c1O 409058223 JLGUDNFEFVPWRA-WDZFZDKYSA-N 372.240 3.608 0 40 FHAB CCc1nc(C(=O)N[C@H](C)c2ccc(F)c(Br)c2)c(C)o1 507694868 NXBPJPGJNBDCAA-MRVPVSSYSA-N 355.207 3.938 0 40 FHAB CC1(C)CCc2nc(NC(=O)[C@H]3[C@H](C(F)(F)F)[C@H]4CC[C@H]3O4)sc2C1 557066128 JPCKWCBEKQKOHM-FPQZTECRSA-N 374.428 3.952 0 40 FHAB O=C(NCc1ccc(C2CCCCC2)cc1)N1CC[C@H](c2nc[nH]n2)C1 570326210 BJGACTUAPRARLW-SFHVURJKSA-N 353.470 3.552 0 40 FHAB O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)c1snc(O)c1Cl 578986327 QVQZACOHLKIGEQ-VIFPVBQESA-N 364.776 3.968 0 40 FHAB C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)N1CCc2ccccc2C1 641919615 RHRQHABYRMIAIX-OAHLLOKOSA-N 370.474 3.729 0 40 FHAB Cc1ccccc1CN1CCC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CO2 1615152514 BQUJFOYSUQRNLN-QFIPXVFZSA-N 368.452 3.532 0 40 FHAB FC(F)(F)c1ccnc(N2C[C@@H]3CCN(c4nccc5occc45)[C@@H]3C2)c1 1889201608 DSIDPINMECFTNC-SWLSCSKDSA-N 374.366 3.957 0 40 FHAB O=C(Nc1cc(Cl)ccc1O)c1cccc(I)c1 1027788 SRDNBYOYZZWBPA-UHFFFAOYSA-N 373.577 3.903 0 40 FHAB Cc1ccc(Cc2cnc(NC(=O)[C@@H]3COc4ccccc4O3)s2)cc1 818336 BVDOAXGYZPHUBI-SFHVURJKSA-N 366.442 3.821 0 40 FHAB CCCCCOc1ccc(NC(=O)C(=O)NCc2cccc(C)c2)cc1 4558045 RDGAQONKDFCPQS-UHFFFAOYSA-N 354.450 3.819 0 40 FHAB CCOC(=O)/C(=C\c1ccc(OC)c(OC)c1)P(=O)(OCC)OCC 4945982 CRKMCAWVSBUKPJ-FOWTUZBSSA-N 372.354 3.874 0 40 FHAB CC(C)COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 6262859 IVEIIDPIKQYNDG-UHFFFAOYSA-N 358.463 3.623 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1Cl 6406560 CMYQQEKBNMDORQ-UHFFFAOYSA-N 350.198 3.942 0 40 FHAB CCOc1c(CNCCCSc2nc(C)cc(C)n2)cccc1OC 6678436 DLYPXAZGJUKSAI-UHFFFAOYSA-N 361.511 3.773 0 40 FHAB Cc1ccc(-c2noc(CN(C)C(=O)COc3cc(C)cc(C)c3)n2)cc1 7720652 FCWJOWVKYWPHMT-UHFFFAOYSA-N 365.433 3.699 0 40 FHAB COc1ccc(N2C[C@H](C(=O)Oc3ccc4ccccc4c3)CC2=O)cc1 7928969 GAVOVZKNPDPXBZ-QGZVFWFLSA-N 361.397 3.807 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)N(C)C[C@@H]1COc2ccccc2O1 24662078 VXDMHYBDUFHBMC-MRXNPFEDSA-N 366.392 3.594 0 40 FHAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1ccc(-c2ccc(F)cc2)o1 43271598 ACQTVFDFPPFKNJ-MRXNPFEDSA-N 355.369 3.714 0 40 FHAB Cc1nc(C(=O)N(C)c2nc3ccccc3s2)nn1-c1ccc(F)cc1 55336327 WDNMECMFMJJGCF-UHFFFAOYSA-N 367.409 3.601 0 40 FHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)CCSc1ccc(F)cc1 8313795 LYIXTSIMZGWOCZ-UHFFFAOYSA-N 364.417 3.544 0 40 FHAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3cccnc3)o2)CC1)c1cccs1 100155848 XUSOFTXJFYSWGW-OKILXGFUSA-N 368.462 3.897 0 40 FHAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)NCc1cccs1 3247466 QDRAOCXHUBWDQS-UHFFFAOYSA-N 365.454 3.740 0 40 FHAB CN(Cc1cnn(-c2ccccc2)c1)[C@@H](C(=O)N1CCCC1)c1ccccc1 57270802 AAJKLERZBZRRIE-JOCHJYFZSA-N 374.488 3.668 0 40 FHAB Cc1nc(N2CC[C@@H]3CCOC(=O)[C@H]32)c2cc(-c3ccccc3)sc2n1 108362707 PDZKOBQAOUEIDL-PBHICJAKSA-N 365.458 3.809 0 40 FHAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 59324689 FZBQWYGGWRIHSB-UHFFFAOYSA-N 354.450 3.795 0 40 FHAB COc1ccccc1-c1ccc(=O)n(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)n1 101351909 AISXYADEAKLWAX-ZHRRBRCNSA-N 367.493 3.777 0 40 FHAB COc1ccc([C@@H](c2c(C)[nH]c3ccccc23)N2CCOCC2)cc1OC 24171419 VZUIZQHKXGLTMH-QFIPXVFZSA-N 366.461 3.915 0 40 FHAB O=C(NC1CCN(CC2CCCC2)CC1)N1CC[C@@H](c2ccccc2)C1 58419505 BOTAYGUZCYEBPZ-HXUWFJFHSA-N 355.526 3.840 0 40 FHAB NC(=O)c1ccc(COC(=O)Cc2coc3ccc4ccccc4c23)cc1 24534767 KRDNXQIUPNMEDV-UHFFFAOYSA-N 359.381 3.971 0 40 FHAB O=C(OCCOc1ccc(Br)cc1)c1ccc(F)cc1F 3302524 LOIVJNPEGOAQBK-UHFFFAOYSA-N 357.150 3.963 0 40 FHAB Cc1ccccc1N[C@H]1CC(=O)N(c2ccccc2Br)C1=O 101276870 MLNXZSQVFXNNKQ-AWEZNQCLSA-N 359.223 3.502 0 40 FHAB C[C@H](NC(=O)C[C@H]1C=CCC1)c1cc2c(cc1Br)OCCO2 48354808 WEZBOCCIDGBOEM-RYUDHWBXSA-N 366.255 3.754 0 40 FHAB O=C(Cc1coc2cc3c(cc12)CCC3)NCc1cnn(-c2ccccc2)c1 11563544 QMNLGSQCXMRZRH-UHFFFAOYSA-N 371.440 3.966 0 40 FHAB C[C@@H]1CN(Cc2ccccc2CNC(=O)CCc2ccsc2)C[C@@H](C)O1 48358399 OVOUJQUGIDRBLF-IAGOWNOFSA-N 372.534 3.606 0 40 FHAB Cc1cc(C)n2c(S[C@@H](C)C(=O)c3c(C)[nH]c4ccccc34)nnc2n1 3491145 OGQQVKLINAMTHJ-ZDUSSCGKSA-N 365.462 3.894 0 40 FHAB COc1cccc([C@H](CNC(=O)Nc2ccc(F)cc2)N2CCCC2)c1 12984521 XPOYLCLDWNIYKU-IBGZPJMESA-N 357.429 3.793 0 40 FHAB COc1ccccc1[C@H](CNC(=O)Nc1cccc(C)c1)N1CCCC1 12921416 NRLKWEBFZBEWAB-IBGZPJMESA-N 353.466 3.962 0 40 FHAB COc1ccc(COc2ccc(I)cc2)cc1OC 48816387 PMCKWNINKFQNFJ-UHFFFAOYSA-N 370.186 3.887 0 40 FHAB Cc1cc(N(C)C)ccc1NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1 63810279 FQPRMCRPLIXJHO-UHFFFAOYSA-N 354.435 3.625 0 40 FHAB COC(=O)[C@@H](NCc1ccccc1OC(F)F)c1cc(C)c(O)c(C)c1 96012828 ADZUCLBFUXWPQK-INIZCTEOSA-N 365.376 3.614 0 40 FHAB CCCN(CC1CC1)C(=O)CSc1nc2ccccc2c(=O)n1CCC 6078777 NQSVSPGSEJCYDO-UHFFFAOYSA-N 373.522 3.547 0 40 FHAB COc1ccc(NC(=O)C[C@H]2Nc3cc(C)c(C)cc3NC2=O)cc1Cl 5015942 DQHQLYCTOOBICL-MRXNPFEDSA-N 373.840 3.727 0 40 FHAB CCC(=O)Nc1ccc(C(=O)CSc2ccc3c(c2)OCCO3)cc1 5018662 JRQFGGBMHDQQED-UHFFFAOYSA-N 357.431 3.781 0 40 FHAB COc1cccc(-c2nc(C)c(C(=O)Nc3ccc(CCO)cc3)s2)c1 13732284 YSWYCNRVFSPPQN-UHFFFAOYSA-N 368.458 3.914 0 40 FHAB O=C(CCCc1c[nH]c2ccccc12)NCCc1ccc2c(c1)OCO2 21558015 RNUUDENCQWBRNB-UHFFFAOYSA-N 350.418 3.578 0 40 FHAB O=C(COC(=O)c1n[nH]c2ccccc12)Nc1cccc(Cl)c1Cl 6370941 KTHRJHXZMCAUBP-UHFFFAOYSA-N 364.188 3.665 0 40 FHAB COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)c1cc2ccccc2o1 9340309 IBFVXFFHLJHWMN-UHFFFAOYSA-N 364.357 3.962 0 40 FHAB CN1C(=O)[C@](O)(CC(=O)c2ccc3ccccc3c2)c2cc(Cl)ccc21 4555360 AQDIOZZZEFEXLO-NRFANRHFSA-N 365.816 3.930 0 40 FHAB CCOc1cccc(C(=O)Nc2ccc(NC(=O)C(C)C)c(OC)c2)c1 4554775 CUKHDFLGNAYCRX-UHFFFAOYSA-N 356.422 3.941 0 40 FHAB COc1ccc(SCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 9318565 SAGWADSISQOBSV-HNNXBMFYSA-N 367.474 3.850 0 40 FHAB CC(C)(C)n1/c(=N/C(=O)c2ccc(C(F)(F)F)nc2)[nH]c2ccccc21 84325741 BKQYJFODJYACRL-UHFFFAOYSA-N 362.355 3.879 0 40 FHAB Cc1nn2c(nnc3c(=O)n(-c4ccccc4)ccc32)c1-c1ccc(F)cc1 19821602 RRHDLYGJILVMIE-UHFFFAOYSA-N 371.375 3.543 0 40 FHAB CC(C)c1ccc(CCNC(=O)COc2ccc(-c3nnco3)cc2)cc1 7774082 PUFKNCNUMYOGHA-UHFFFAOYSA-N 365.433 3.598 0 40 FHAB Cc1nn(CN(C)[C@H](c2cccnc2)C(C)C)c(C)c1Br 68618891 BIFQYXVOALWTTJ-INIZCTEOSA-N 351.292 3.944 0 40 FHAB C[C@H]1CCCC[C@H]1OCCNC(=O)N1CCc2[nH]c3ccccc3c2C1 71805113 QTYWXXVAKFAJBE-MGPUTAFESA-N 355.482 3.831 0 40 FHAB CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccccc1C 8312679 BXRWDBNZPKPWFZ-UHFFFAOYSA-N 362.223 3.978 0 40 FHAB COc1ccc2c(c1)CCN2C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 83970035 XVNYPMRVYVBLQU-PMACEKPBSA-N 370.424 3.827 0 40 FHAB O=C(NC[C@H]1CCOc2ccccc2C1)c1ccc(CN2CCCC2)cc1 95383361 WVYVYYTTXUZDRK-IBGZPJMESA-N 364.489 3.654 0 40 FHAB CCCCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1Br 8564056 HSZYFDVVYRVHQW-ZDUSSCGKSA-N 356.260 3.537 0 40 FHAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(F)c1 8621422 JMISCQCLAHVZBE-UHFFFAOYSA-N 360.388 3.821 0 40 FHAB CCN(CC)c1ccc(C(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)c(O)c1 95373583 VIPWRLDGFUBSPT-IIBYNOLFSA-N 368.477 3.841 0 40 FHAB CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1nc2ccccc2s1 95945684 LSRXHJXEJNYFCW-GFCCVEGCSA-N 363.483 3.558 0 40 FHAB CC(C)Oc1ccc(N2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C)CC2=O)cc1 408708569 QNPWUQHJBQGSHD-GPMSIDNRSA-N 358.482 3.522 0 40 FHAB Cc1cc(S(=O)(=O)NC(C)C)ccc1NC(=O)c1ccc(Cl)cc1 408612143 XQRUSOQYJZLRMI-UHFFFAOYSA-N 366.870 3.587 0 40 FHAB CCOc1ccc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 408707835 FODUYHPYEHCSRG-UHFFFAOYSA-N 354.450 3.638 0 40 FHAB Cc1cncc(CNC(=O)N2CCC(c3noc4cc(F)ccc34)CC2)c1 517002903 CLWRWXCTBYOJEL-UHFFFAOYSA-N 368.412 3.760 0 40 FHAB O=C(O)c1ccc2c(c1)[C@]1(C[C@@H]1c1cccc(Br)c1)C(=O)N2 217477028 HXIUGYSURBPMPU-DYVFJYSZSA-N 358.191 3.525 0 40 FHAB COc1ccccc1-c1csc(-c2nnn(-c3ccc(F)cc3)c2N)n1 33265149 LLKMSHDODRLOBG-UHFFFAOYSA-N 367.409 3.788 0 40 FHAB Cc1cc(OCC(=O)NCC2(c3ccccc3)CCOCC2)ccc1Cl 39745683 NJYSWHGCIWWGEV-UHFFFAOYSA-N 373.880 3.892 0 40 FHAB CCOC(=O)c1ccc(NC(=O)N(C)C[C@@H]2CCCN3CCCC[C@@H]23)cc1 1565520264 QDWHWZNIGMLTCT-HKUYNNGSSA-N 373.497 3.592 0 40 FHAB biogenic O=C(O)CCNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 72401650 ZWKSCEJOJLSLRW-UHFFFAOYSA-N 354.793 3.760 0 40 FHAB Cc1cccc(CN(C(=O)Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)c1 225515811 KBPLBFNWSIJLHQ-KRWDZBQOSA-N 370.468 3.619 0 40 FHAB CCOc1ccc(NC(=O)C(C)(C)NC(=O)OCc2ccccc2)cc1 225924856 AJSZHPXXKCGBEW-UHFFFAOYSA-N 356.422 3.729 0 40 FHAB O=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1cc2ccccc2s1 225622202 DIJKVKNAPPMHIW-UHFFFAOYSA-N 368.458 3.777 0 40 FHAB C[C@H](O)c1cccc(NC(=O)c2cccc(I)c2)c1 226274184 XMNMXVBMVHMBBY-JTQLQIEISA-N 367.186 3.597 0 40 FHAB COc1ccc(S(=O)(=O)NCCCc2ccc(Cl)cc2)c(C)c1C 222828804 SPMKGHFIIZVWIB-UHFFFAOYSA-N 367.898 3.877 0 40 FHAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1C 223436727 DGGPVMIQHXSFAE-MRXNPFEDSA-N 374.506 3.783 0 40 FHAB CO[C@](C)(C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1)C1CC1 225643967 DOECGXLOFRJRNQ-JKSBSHDWSA-N 374.525 3.797 0 40 FHAB CC(C)CCN1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1ccccc1 514289765 DOZJLVMCZIFSRR-QNWVGRARSA-N 372.553 3.906 0 40 FHAB biogenic,in-vitro O=C(c1onc2c1CCCC2)N1CCC(c2ccc3cccnc3n2)CC1 616700575 DLRXNANXFHFFHS-UHFFFAOYSA-N 362.433 3.516 0 40 FHAB COc1ccc(CSCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 222657475 QTOBJQSUIQICEU-AWEZNQCLSA-N 373.474 3.577 0 40 FHAB CCOC(=O)c1cccc(NC(=O)C2CCN(Cc3ccccc3)CC2)c1 44911449 QGYSTIFJPAOATR-UHFFFAOYSA-N 366.461 3.714 0 40 FHAB O=C(c1cccnc1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 42380200 YTLWELKOZUWRGL-AWEZNQCLSA-N 368.437 3.759 0 40 FHAB CN(Cc1cccc(Cl)c1)C(=O)CCC(=O)c1ccc2c(c1)OCCO2 49944493 HYXZRSGVXXKREX-UHFFFAOYSA-N 373.836 3.733 0 40 FHAB Cc1ccc(C(=O)NCCc2ccccc2)c(I)c1 225008823 PDTFSJVWJZMAHE-UHFFFAOYSA-N 365.214 3.572 0 40 FHAB CO[C@@]1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCC[C@@H](C)C1 225635004 HDUUDDQKRIJQIP-UTKZUKDTSA-N 360.498 3.695 0 40 FHAB Cc1ccccc1C(=O)N1CC[C@@]2(C[C@H]2C(=O)Nc2cccc(F)c2)C1 96227247 WJOCFDGXEKMJNZ-GHTZIAJQSA-N 352.409 3.625 0 40 FHAB Brc1ccc([C@@H]2C[C@H]2c2nc(-c3n[nH]c(C4CC4)n3)no2)cc1 582283380 LKHHAYJFAIVORJ-NWDGAFQWSA-N 372.226 3.766 0 40 FHAB O=C(N1CCC[C@@]2(CCNC2)C1)C1(c2cccc(C(F)(F)F)c2)CCC1 585089126 WQHZDLGBPNADHQ-SFHVURJKSA-N 366.427 3.729 0 40 FHAB COc1cccc(CN2C[C@@H]3CCC[C@](O)(c4ccccc4OC)[C@H]3C2)c1 248186526 HYMIIRVRJSDLIF-HARLFGEKSA-N 367.489 3.824 0 40 FHAB O=C(CN1CCCC1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257344585 ZXXPRZOSKHYIQB-LJQANCHMSA-N 371.456 3.554 0 40 FHAB C[C@](CNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)(C(=O)O)c1ccccc1 263268647 HTMUIXOAKYIPNE-SUYBPPKGSA-N 357.372 3.514 0 40 FHAB Cc1noc(C)c1CCC(=O)NC[C@H](O)c1ccc(-c2cccs2)cc1 1775977587 IYEHZCGXBKAKTB-SFHVURJKSA-N 370.474 3.802 0 40 FHAB CO[C@@](C)(CNS(=O)(=O)/C=C/c1ccccc1)c1cccc(Cl)c1 96392799 XEQHCLIIIYHYLV-DXRVJIQQSA-N 365.882 3.792 0 40 FHAB O=C(Nc1cnc2c(c1)CCCC2)N[C@H](C[C@@H]1CCCO1)C(F)(F)F 654033141 HXOHUSSTFJZKEQ-DZGCQCFKSA-N 357.376 3.582 0 40 FHAB O=C(O)c1ccc(OCCN2CCC[C@H]([C@@H]3CCCCO3)C2)c(Cl)c1 656767574 HHVWXBKHEIMCGF-RDJZCZTQSA-N 367.873 3.698 0 40 FHAB COCCn1ncc2ccc(NCc3cc4c(cc3OC)C[C@H](C)O4)cc21 679114861 DVBLTNSIGLLSGF-AWEZNQCLSA-N 367.449 3.627 0 40 FHAB O=C(c1ccccc1S(=O)(=O)C(F)F)N(Cc1ccsc1)C1CC1 96120288 YVYNQAZTFKMAJQ-UHFFFAOYSA-N 371.430 3.549 0 40 FHAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)N1CCC[C@@H]1C1CCCCC1 63161469 RPMDHPQPUGLRHK-CQSZACIVSA-N 357.376 3.970 0 40 FHAB O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1ccn(-c2ccccc2)n1 60278545 KDWVGAOZCKQNJB-UHFFFAOYSA-N 371.227 3.937 0 40 FHAB CCCNC(=O)CN1C(=O)CC(c2cccs2)=Nc2cc(C)c(C)cc21 101339834 XWXXRKGQNGKVEB-UHFFFAOYSA-N 369.490 3.749 0 40 FHAB COc1ccc(/C=C2/SC(=O)N(c3ccc(O)cc3)C2=O)c(OC)c1 2434016 GISLDFRTPFYHND-CXUHLZMHSA-N 357.387 3.650 0 40 FHAB Cc1csc([C@H](Cc2cccs2)NC(=O)CCCn2ccnc2)n1 12087877 WEUQIZYQXLPAQS-HNNXBMFYSA-N 360.508 3.590 0 40 FHAB Cc1cccc(CC(=O)N2CCC(c3ncncc3-c3ccncc3)CC2)c1 12117239 VTNSSWICSDRWIH-UHFFFAOYSA-N 372.472 3.796 0 40 FHAB CCC(=O)c1ccc(OCC(=O)NCCCCOc2ccc(F)cc2)cc1 12392706 FLNSOPLCQOIGPS-UHFFFAOYSA-N 373.424 3.773 0 40 FHAB Cc1ccc(S(=O)(=O)NC(=O)O[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 16310234 YZWRWDKISIQION-ARFHVFGLSA-N 351.468 3.769 0 40 FHAB C[C@H]1CCCCN1C(=O)NCCCCCCNC(=O)N1CCCC[C@H]1C 19075004 FPOWYPUCAFKEGW-HDICACEKSA-N 366.550 3.715 0 40 FHAB O=C1CCCCCN1CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 19370048 KUIPPGJOXPBJGC-OAQYLSRUSA-N 368.502 3.625 0 40 FHAB COc1ccc(-c2ccccc2NC(=O)c2noc(C)c2CN(C)C)cc1 19663484 MYZFEPBTHZIAIF-UHFFFAOYSA-N 365.433 3.973 0 40 FHAB CCN1CCCc2cc(-c3cncn3CCc3c(C)nn(C)c3C)ccc21 19719406 FDANVMXXANRSSD-UHFFFAOYSA-N 363.509 3.916 0 40 FHAB Cc1nc2c(s1)[C@@H](N(C)S(=O)(=O)c1cccc3cnccc13)CCC2 111365692 PBRLOLXXDGGGCI-INIZCTEOSA-N 373.503 3.698 0 40 FHAB Brc1ccc(Nc2ncnc3c2ncn3C[C@H]2CCCO2)cc1 1888913670 RJHNHYSUBFXOEK-CYBMUJFWSA-N 374.242 3.511 0 40 FHAB C[C@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)[C@H](C)CN1C 1264016749 YMBMJWTUEDXIQC-WDEREUQCSA-N 368.264 3.813 0 40 FHAB O=C(Cc1ccc(F)cc1)N1CC[C@@H](Oc2cccc3cccnc23)C1 244975259 IIONGCXGNNHVAB-GOSISDBHSA-N 350.393 3.596 0 40 FHAB Cc1ccccc1N1C[C@@](O)(c2ccc(OC(F)F)cc2)[N+]2=C1CCCC2 2966438 SXGYKXDQEKSMKL-OAQYLSRUSA-N 373.423 3.857 0 40 FHAB Fc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 4941990 PPVYLONUTWNURT-UHFFFAOYSA-N 356.449 3.735 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2nnc(-c3ccc(C)cc3C)o2)c1 5169606 TVTVHGDIAFJNCR-UHFFFAOYSA-N 353.378 3.623 0 40 FHAB Nc1nc2c(s1)[C@@H](c1ccc(OCc3ccccc3F)cc1)CC(=O)N2 12375544 JAYKATRJDPMZBC-CQSZACIVSA-N 369.421 3.918 0 40 FHAB CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cccc(F)c3)CC2)nn1 1775965752 FLSONYUSRQTAJX-UHFFFAOYSA-N 371.456 3.844 0 40 FHAB O=C(Cc1cccc2ccccc12)NCCN1CCO[C@@H](c2ccccc2)C1 23127757 VYOUZAXJBVKPGK-HSZRJFAPSA-N 374.484 3.572 0 40 FHAB Cc1ccc(N2C(=O)c3ccccc3N[C@]23C(=O)N(C)c2ccccc23)cc1 4710353 KKBTUMGWFOSEOY-QHCPKHFHSA-N 369.424 3.897 0 40 FHAB Cc1nc(CSCCC(=O)NCC2(N(C)C)CCCCCC2)cs1 40091005 PFXNMNKFOLXVEO-UHFFFAOYSA-N 369.600 3.846 0 40 FHAB COc1ccc(-c2nc(Cn3cnc4ccc(C)cc4c3=O)cs2)cc1 40116966 FAOWGHOOVIYLRH-UHFFFAOYSA-N 363.442 3.885 0 40 FHAB O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccccc1SC(F)(F)F 32354985 PYQSPEHHQXWRGL-UHFFFAOYSA-N 354.309 3.985 0 40 FHAB Cc1ccccc1[C@@H](C)NC(=O)NCc1ccccc1CN1CCCC1=O 32795630 AKKYCODIGWKRHV-QGZVFWFLSA-N 365.477 3.678 0 40 FHAB Cc1cc(CNCCc2nnc3ccccn23)c(C)n1C1CCCCC1 21866295 LAKQWFSSAPAXAS-UHFFFAOYSA-N 351.498 3.985 0 40 FHAB Cc1ccc(OCC(=O)NCCc2ccc(F)cc2)c2c1[C@@H](C)CC2=O 22134738 DNGIDXHKFMHLJL-AWEZNQCLSA-N 355.409 3.562 0 40 FHAB CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2ncn(-c3ccccc3)n2)cc1 22286610 YHRKEDVPENGVBZ-ZDUSSCGKSA-N 366.446 3.589 0 40 FHAB Cc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 806718 QDKUUHPOILTDRA-INIZCTEOSA-N 352.434 3.774 0 40 FHAB O=C1c2ccccc2C(=O)N1CCSc1ccc(Br)cc1 1386025 AOAANLYSLQXINV-UHFFFAOYSA-N 362.248 3.837 0 40 FHAB CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2)N2C(=O)[C@@H](C)SC2=N1 2463293 HGLRNHIMODHMIS-CJNGLKHVSA-N 358.463 3.534 0 40 FHAB O=C(O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 3273161 XDOLSWJSNIRYRU-UHFFFAOYSA-N 367.426 3.780 0 40 FHAB O=C(COC(=O)/C=C/c1ccccc1)Nc1ccccc1Br 3281828 WAQHYHCWPAKBTD-ZHACJKMWSA-N 360.207 3.644 0 40 FHAB CSc1ccc(/C=C/C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 3305982 YIESCIKZKSTMHK-JXMROGBWSA-N 358.488 3.710 0 40 FHAB CN1CCN(C(=S)c2cn(Cc3ccc(F)cc3)c3ccccc23)CC1 4140366 NKUVQDPCXUNMAB-UHFFFAOYSA-N 367.493 3.752 0 40 FHAB Cc1cccn2c(=O)c3cc(C(=O)N[C@@H]4CCC[C@@H](C)[C@@H]4C)sc3nc12 4148737 LCDBOTKYKDTHSM-OSAQELSMSA-N 369.490 3.772 0 40 FHAB O=C1Oc2ccccc2[C@H]2c3sc(=O)[nH]c3S[C@@H](c3ccccc3)[C@@H]12 4279889 QBSQXDUSRCMDLO-ILXRZTDVSA-N 367.451 3.951 0 40 FHAB CCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1-n1cccc1 4518536 HOHNDEQYCKNHBX-UHFFFAOYSA-N 369.494 3.691 0 40 FHAB CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 4703070 JCAQWWYEFWPESI-ZDUSSCGKSA-N 358.825 3.730 0 40 FHAB CCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 4840794 OWACCDYARLCMAZ-UHFFFAOYSA-N 366.490 3.861 0 40 FHAB Cc1ccc(NC(=S)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 4857508 GASRILCSVIOUAE-UHFFFAOYSA-N 371.481 3.725 0 40 FHAB Cc1cc(C)cc(NC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c1 4888455 UOOUONIQUHWBJR-UHFFFAOYSA-N 357.498 3.996 0 40 FHAB CCc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 5135091 YYEQDJPBUWYYDF-UHFFFAOYSA-N 355.843 3.720 0 40 FHAB Cc1ccc2[nH]c(C3CCN(CC(=O)Nc4ccccc4C)CC3)nc2c1 5626063 HJRDDUCEYSHDOG-UHFFFAOYSA-N 362.477 3.998 0 40 FHAB CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@H](c2ccc(O)cc2)NC(=O)N1 5942665 ZVSLCFVAMFFUFX-KRWDZBQOSA-N 371.824 3.621 0 40 FHAB Cc1cc(Br)c(NC(=S)NC(=O)c2ccco2)cc1C 6266075 BENXBIGTMKTNHQ-UHFFFAOYSA-N 353.241 3.786 0 40 FHAB CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc(C)cc(C)c2)cc1 6432706 PRESKBPIWRAOBC-UHFFFAOYSA-N 367.493 3.627 0 40 FHAB COc1ccc2c(C)cc(SCC(=O)Nc3c(C)n[nH]c3C)nc2c1 6623546 SUZGOGKKDJKEES-UHFFFAOYSA-N 356.451 3.623 0 40 FHAB CCCN1C(=O)/C(=C\c2cccc(Br)c2)C(C(=O)OC)=C1C 6654679 YNBAZBGQUUVNSO-UVTDQMKNSA-N 364.239 3.532 0 40 FHAB CCC[C@H]1Oc2ccccc2C(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O 6662657 APUYFOSDYSZEOJ-GOSISDBHSA-N 371.820 3.753 0 40 FHAB CCc1ccc(Cl)c(CC)c1NC(=O)c1nn(C)c(=O)c2ccccc12 6943480 FXNMJUAUWRHNPW-UHFFFAOYSA-N 369.852 3.964 0 40 FHAB O=C(Nc1ccccc1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 7400008 ZJBDYLKQMKJYPJ-JXAWBTAJSA-N 357.373 3.570 0 40 FHAB CSc1ccc(CN(C)C(=O)COc2ccc3ccc(=O)oc3c2)cc1 7767306 LQIVTQGHOYICAF-UHFFFAOYSA-N 369.442 3.552 0 40 FHAB O=C(CSc1nnnn1C1CC1)Nc1ccc(Oc2ccccc2)cc1 8075931 DZPDMCSWKISMIL-UHFFFAOYSA-N 367.434 3.531 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)CN2CCC[C@H]2c2cccs2)c1 8319941 VSXSBUGMJXYLHB-INIZCTEOSA-N 358.463 3.619 0 40 FHAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccccn1 8720672 DMKXSHGLDDMWCM-UHFFFAOYSA-N 357.763 3.824 0 40 FHAB CCOc1cccc2cc(C(=O)N3CCN(c4ccccc4)CC3)oc12 8960916 WMZSZKVHASSEHC-UHFFFAOYSA-N 350.418 3.794 0 40 FHAB COc1ccc(-c2nc(CC(=O)NCc3ccc(F)cc3)cs2)cc1 9313526 XTGXHMGXBOWOQV-UHFFFAOYSA-N 356.422 3.817 0 40 FHAB CCN(CC)CCNC(=O)C1CCN(Cc2cccc3ccccc23)CC1 9849515 OTIPROHESNWLQK-UHFFFAOYSA-N 367.537 3.510 0 40 FHAB CCc1cccc(C)c1NC(=O)CCn1c(=O)n(CC)c2ccccc21 10404965 BKKBAZVVSACCCV-UHFFFAOYSA-N 351.450 3.723 0 40 FHAB Cc1ccc(S(C)(=O)=O)cc1NCc1ccc(F)cc1Br 11010477 CMBIERKCZJZTAE-UHFFFAOYSA-N 372.259 3.912 0 40 FHAB O=C(Cc1cnc(-c2ccccc2F)s1)Nc1ccc(CCO)cc1 12390026 FATRVJPNTMDKLH-UHFFFAOYSA-N 356.422 3.665 0 40 FHAB COc1ccc2c(=O)c(Oc3ccc(C(=O)N4CCCC4)cc3)coc2c1 12409307 CXGWYLYOEWTSHK-UHFFFAOYSA-N 365.385 3.830 0 40 FHAB COc1ccc(CNC(=O)[C@H](OC(=O)c2ccco2)c2ccccc2)cc1 12471966 YEGIMTDZGGJWAQ-LJQANCHMSA-N 365.385 3.503 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)CNc3ccc(Cl)cc3C)ccc21 12749864 LEYKCJJEHBWWJB-UHFFFAOYSA-N 357.841 3.608 0 40 FHAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cccc(F)c1)O[C@@H](C)C2 12811875 SNINPLQKHZOLSS-STQMWFEESA-N 358.413 3.987 0 40 FHAB COc1ccc(CCNC(=O)c2ccc(F)cc2Br)cc1 12845392 UJEOXOGIOQEAKL-UHFFFAOYSA-N 352.203 3.569 0 40 FHAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(C)cc2O)cc1 12851837 LQLZQPDRUQWMBQ-UHFFFAOYSA-N 368.462 3.959 0 40 FHAB COc1ccc(-c2cc(CC(=O)Nc3ccccc3F)no2)cc1OC 12867931 AFERKIUTZGUNSV-UHFFFAOYSA-N 356.353 3.679 0 40 FHAB COc1ccccc1/C=C/C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 12930157 QNEQBJRQJKMKIP-JKGDOXCYSA-N 364.445 3.586 0 40 FHAB O=C(NCc1ccccc1CN1CCOCC1)c1ccc2ccccc2c1 12974164 XYSRJNMGDTUQBW-UHFFFAOYSA-N 360.457 3.602 0 40 FHAB COc1cccc(C(=O)N[C@@H](C)c2nc(-c3ccccc3Cl)no2)c1 13494870 MIHBJYYXTOADCH-NSHDSACASA-N 357.797 3.890 0 40 FHAB CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1cccc2ccccc12 13567454 SHPCKCKTDLIOCB-HNNXBMFYSA-N 365.458 3.520 0 40 FHAB Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c(C)c1 13583027 UPYQHGMNMCFPGH-UHFFFAOYSA-N 372.490 3.649 0 40 FHAB Cc1ccc(S[C@@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)cc1 14094011 JTXSXWZDCGYEKS-INIZCTEOSA-N 356.491 3.847 0 40 FHAB COc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2n1C 14462775 ULDSUTBIQWHFSN-UHFFFAOYSA-N 361.854 3.966 0 40 FHAB CC[C@@]1(C)Oc2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2O1 15083691 KKBLQPDYEMOCBI-FQEVSTJZSA-N 373.405 3.862 0 40 FHAB Cn1cc(-c2cc(-c3cnn(C)c3)n(-c3ccc(Cl)c(Cl)c3)n2)cn1 17076388 CHUFOCYFYBZMMV-UHFFFAOYSA-N 373.247 3.980 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2ccc(CN3CCCCC3)cc2)cc1 17076662 JGLLOZCKSCBQQK-UHFFFAOYSA-N 374.506 3.872 0 40 FHAB O=C(NCc1cccc(F)c1)c1cc(-c2ccncc2)c2cnccc2n1 19293917 ZZUIMCDCYTUSJN-UHFFFAOYSA-N 358.376 3.761 0 40 FHAB COc1ccc2c(c1)C[C@@H](NC(=O)Nc1cccc3c1CCCC3)CO2 21102245 LOHXAQXGQIAOEE-MRXNPFEDSA-N 352.434 3.699 0 40 FHAB CCCn1c(NC(=O)CCc2ccc3c(c2)OCCO3)nc2ccccc21 21597876 BTVCIRIVLHYDDB-UHFFFAOYSA-N 365.433 3.789 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccc(Cl)cc1 21600935 QSUMDFGICLKQHG-WFASDCNBSA-N 372.683 3.863 0 40 FHAB CC(C)n1cnnc1SCC(=O)Nc1ccc2c3c(cccc13)CC2 23885502 ZRQQDVLCXQGAOC-UHFFFAOYSA-N 352.463 3.842 0 40 FHAB CC(=O)Nc1cc(NCC(=O)N2c3ccccc3CC[C@H]2C)ccc1F 24368218 UYZRSSGTIJLHGL-CYBMUJFWSA-N 355.413 3.564 0 40 FHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1nc(-c2cccs2)no1 24577207 VQACHOHSGGOUMR-SNVBAGLBSA-N 363.826 3.535 0 40 FHAB Cc1c([C@@H](C)NC(=O)c2cc(Br)ccc2Cl)cnn1C 25006281 ZIMROCIWWMBKGX-MRVPVSSYSA-N 356.651 3.635 0 40 FHAB C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cccc2ncccc12 26983887 DRGDZFCLJNXJAZ-OAHLLOKOSA-N 374.444 3.801 0 40 FHAB CCOc1ccccc1C(=O)Nc1ccnn1Cc1ccc(OC)cc1 28580671 PDBFIEZIRQHUAY-UHFFFAOYSA-N 351.406 3.591 0 40 FHAB C[C@@H](C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)n1cncn1 29821991 SBEJNFBVBBDSBI-HILYYZTDSA-N 350.466 3.946 0 40 FHAB Fc1ccc(-c2ccc(CNCc3ccc(N4CCOCC4)nc3)o2)cc1 30636913 JOKJEQPJSDUKSC-UHFFFAOYSA-N 367.424 3.607 0 40 FHAB COc1c2cc(c(O)c1OC)-c1cc(ccc1O)CC[C@H](O)CCCC2 31166839 UTKZLHKWTSXNQI-OAHLLOKOSA-N 358.434 3.802 0 40 FHAB biogenic,in-vitro O=C(NC[C@H](O)c1ccc(F)c(F)c1)C(c1ccccc1)c1ccccc1 31299912 PJYOWYMNCRQIKR-FQEVSTJZSA-N 367.395 3.947 0 40 FHAB CCn1c(Cc2ccccc2)nnc1SCC[S@@](=O)c1ccccc1 32931577 XLIDUFWBEIBFKD-VWLOTQADSA-N 371.531 3.789 0 40 FHAB Cc1cccc(N2CCN([C@@H](C)C(=O)N[C@H](C)c3ccccc3)CC2)c1C 34684889 OMYIVZZQDVTDRA-UXHICEINSA-N 365.521 3.691 0 40 FHAB Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NCc3ccccc3)C2)c1 40150737 MWXBRGYNNHBWTF-SFHVURJKSA-N 351.450 3.555 0 40 FHAB O=C(NCCOc1ccc2ccccc2c1)C(=O)Nc1cccc(Cl)c1 41138283 ROHZYYPWXPWDBT-UHFFFAOYSA-N 368.820 3.627 0 40 FHAB Cc1ccc(-n2cnnn2)cc1NC(=O)c1oc2ccc(Cl)cc2c1C 44599644 IHBRIBUXRMJLKB-UHFFFAOYSA-N 367.796 3.931 0 40 FHAB COc1ccc([C@H](C)NC(=O)c2ccc(-c3nc(C)no3)cc2)c(OC)c1 45242499 APRXKBLCJXOIEN-LBPRGKRZSA-N 367.405 3.553 0 40 FHAB CCc1ccc(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)cc1 48356551 PVMOJSKRDWDNFB-UHFFFAOYSA-N 359.429 3.826 0 40 FHAB CSc1ccc(CNC(=O)c2ccc(-n3nc(C)cc3C)nc2)cc1 49407396 IWGGDHXPXWFADG-UHFFFAOYSA-N 352.463 3.536 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)Nc1cccc(CN2CCCCC2=O)c1 50474824 SAYBMARWMILNAW-UHFFFAOYSA-N 361.445 3.862 0 40 FHAB CCCc1cc(=O)oc2cc(OCc3csc(N(C)C(C)=O)n3)ccc12 52888883 VTSXMUIYAOTREG-UHFFFAOYSA-N 372.446 3.764 0 40 FHAB CCN1CCN(c2ccc(N[C@H](C)c3nc(C4CC4)no3)c(C)c2)CC1 55151716 JDFGFZVGOURRFR-OAHLLOKOSA-N 355.486 3.570 0 40 FHAB C=C1c2ccccc2C(=O)N1CC(=O)N1CCC[C@@H]1c1cccc(F)c1 55863765 HIDTYJNGUQPFDX-LJQANCHMSA-N 350.393 3.616 0 40 FHAB Cc1nc(C)c([C@@H](C)NC(=O)NCc2cccc(CN3CCCC3)c2)s1 57285354 QOSMONCHVBIBKX-OAHLLOKOSA-N 372.538 3.916 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NC1CCN(CC2CCCC2)CC1 58391559 IASXRXTXRKZBFR-HNNXBMFYSA-N 364.917 3.878 0 40 FHAB COC[C@@H](C)NC(=O)c1ccc(-c2cccc(Br)c2)nc1C 58392135 ZZPAVYFPCHPRRT-LLVKDONJSA-N 363.255 3.584 0 40 FHAB Cc1nnc2ccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)cn12 58425143 ZFPZLJVXIVSRLB-UHFFFAOYSA-N 358.401 3.869 0 40 FHAB C[C@H](C(=O)N[C@H]1CCc2ccccc21)n1c(S)nnc1-c1cccs1 65474967 ATJQRRXKLPWLHR-RISCZKNCSA-N 370.503 3.660 0 40 FHAB COc1ccc2nc(SCc3ncc(C)c(OC(C)=O)c3C)[nH]c2c1 71974030 QXSBQPLPAYUFHO-UHFFFAOYSA-N 357.435 3.801 0 40 FHAB in-vitro Cc1nc(N2CCOCC2)ccc1[C@H]1CCCCN1C(=O)c1ccccc1 72219662 DLTCEAVCHLSKAG-HXUWFJFHSA-N 365.477 3.594 0 40 FHAB CCC(=O)N1CCC[C@@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)C1 72374894 LZXOFMJGVQXWNZ-MRXNPFEDSA-N 353.470 3.656 0 40 FHAB Cc1ccc(Nc2nccc([C@@H]3CCCN(Cc4cccnc4)C3)n2)nc1 72377638 WKJSWGXEDHLMGG-GOSISDBHSA-N 360.465 3.698 0 40 FHAB C[C@H](c1nc2ccccc2n1CCOc1ccccc1)N1CCOCC1 82086959 BZOZAVHLTQSNBY-QGZVFWFLSA-N 351.450 3.509 0 40 FHAB COc1cc(NC(=O)N[C@H]2CCc3ccccc32)ccc1N1CCCC1=O 83923395 SJWLHNLJCPXMMU-KRWDZBQOSA-N 365.433 3.631 0 40 FHAB COc1ccc(CN(C(=O)c2cc[nH]n2)[C@H]2CCCC[C@@H]2C)cc1OC 93367608 CQLQSFQHTWNTRH-YOEHRIQHSA-N 357.454 3.648 0 40 FHAB COc1cc(C)ccc1CN[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 95454576 LZCAHYULHGVFOL-SFTDATJTSA-N 374.912 3.819 0 40 FHAB CN1CC[C@@H]2[C@H](CCN2C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 95467022 FURPSVXUKJUJOT-QMTHXVAHSA-N 361.795 3.917 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(-n2ccnc2C)nc1 95963531 FUJJHRLQXJAYNG-MRXNPFEDSA-N 354.385 3.511 0 40 FHAB O=C(Nc1c(F)cccc1F)N[C@H]1CCCc2cn(CC(F)(F)F)nc21 96002725 WICRQTCJSNZRNL-LBPRGKRZSA-N 374.313 3.923 0 40 FHAB c1ccc(CN2CCC(c3nc4ccc(-c5ccncc5)cn4n3)CC2)nc1 96038250 KUBUIKVTSGVQTO-UHFFFAOYSA-N 370.460 3.566 0 40 FHAB CCCOc1ccc(COC(=O)c2cn(C)nc2C(F)(F)F)cc1OC 97026206 UISSWWCWEBSNFQ-UHFFFAOYSA-N 372.343 3.593 0 40 FHAB COc1ccc2c(c1)C(=O)N(Cc1ccccc1)C(=O)/C2=C\NC(C)(C)C 97831252 KCFDRICLYPXGIF-UYRXBGFRSA-N 364.445 3.607 0 40 FHAB C[C@@H](NC(=O)[C@H]1[C@H]2CC[C@@]3(CC(=O)c4ccccc4O3)[C@@H]21)c1ccccc1 100124494 MTUYDFNNRNSSRA-OANBOBDCSA-N 361.441 3.924 0 40 FHAB COc1c(C)cccc1CN1C[C@H]2CCC[C@H](C1)C2(O)c1ccc(C)cn1 100149424 MZSNMLADQAEVTJ-WOJBJXKFSA-N 366.505 3.827 0 40 FHAB CC1CCN(CCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 105587816 JRVIUYWHPYAVPY-UHFFFAOYSA-N 352.906 3.736 0 40 FHAB Cc1ccc(OCC(=O)Nc2nnc(SCC(C)C)s2)c(C)c1 197852197 SHVSWWQDHYSBSU-UHFFFAOYSA-N 351.497 3.921 0 40 FHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1cccnc1 222777691 SRAYDZHPWKHRMT-RBUKOAKNSA-N 363.490 3.568 0 40 FHAB COc1ccc(-c2noc(CN(C)C(=O)Cc3ccccc3Cl)n2)cc1 225442986 GCWKRIFLNOFLOG-UHFFFAOYSA-N 371.824 3.600 0 40 FHAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCN(CC)CC)cc1 225618341 DBINZVPVVQBIRD-FQEVSTJZSA-N 350.503 3.941 0 40 FHAB Cc1cccc(NC(=O)Cn2ccc(=O)c3ccc(Br)cc32)c1 225738607 PGBPQXOCBCZUML-UHFFFAOYSA-N 371.234 3.711 0 40 FHAB Cc1ccc(CN2CC[C@H]3OCCC[C@@]3(COCc3ccncc3)C2)o1 248122157 VMXWFGDFSHZRGR-RTWAWAEBSA-N 356.466 3.571 0 40 FHAB COc1ccc(OC)c([C@H](O)CN2CCc3c([nH]c4ccccc34)[C@H]2C)c1 253592233 UNIQDOGKVALDTM-JLTOFOAXSA-N 366.461 3.838 0 40 FHAB Cc1cnc([C@@H]2CCCN(C(=O)CCn3ncc4ccccc43)C2)s1 257277546 NYIVYZHRUJMHNY-MRXNPFEDSA-N 354.479 3.598 0 40 FHAB CC1(C)CCc2nc(NC(=O)N3C[C@@H](O)C[C@@H]3c3ccccc3)sc2C1 333661338 XBHFFIYVBIDYRM-GOEBONIOSA-N 371.506 3.998 0 40 FHAB O=C(Cn1c(=O)oc2ccccc21)N[C@H](c1ccsc1)c1cccs1 390827022 SEGJCYSYYQTHMK-QGZVFWFLSA-N 370.455 3.623 0 40 FHAB CCOC(=O)Cn1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c2ccccc21 409021609 PRPHADYWOXULDY-CXUHLZMHSA-N 372.446 3.649 0 40 FHAB COc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)c(OC)c1C 409030974 FYQMPJWALORWTM-VBKFSLOCSA-N 368.458 3.617 0 40 FHAB O=C(c1ccccc1Br)N1CCOc2ccc(F)cc2C1 470572968 CSQWFXVFQUSJNN-UHFFFAOYSA-N 350.187 3.623 0 40 FHAB Cc1ccccc1[C@H](CO)NC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 536500223 ZYYNTTCDDJNZFX-BZSNNMDCSA-N 363.379 3.967 0 40 FHAB Cn1c(=O)ccc2ccc(NC(=O)N[C@@]3(C)CCCc4ccccc43)cc21 570571003 HOTZRJUTKPEHDD-QFIPXVFZSA-N 361.445 3.912 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3cccs3)o2)cc1 575609527 WWEJORWQORCUKS-UHFFFAOYSA-N 361.444 3.689 0 40 FHAB O=C1CC[C@H](C(=O)N2CCc3cc(C(F)(F)F)ccc3C2)n2cccc21 629027942 PCNPLWGJDQXBLP-MRXNPFEDSA-N 362.351 3.609 0 40 FHAB C[C@H](c1nc(COc2ccc(F)cc2)no1)n1ccc(C(F)(F)F)n1 632035601 WXZBMQLBHWRAIF-SECBINFHSA-N 356.279 3.612 0 40 FHAB O=C(NCc1nccc(C(F)(F)F)n1)N[C@H]1CCCC12CCCCC2 661317864 LABDFTOSJNXCCB-LBPRGKRZSA-N 356.392 3.798 0 40 FHAB Cc1csc(C(=O)N2CC[C@H](COc3ccc(C(C)(C)C)nn3)C2)c1 1888853798 SZBWWGHPKYNOST-AWEZNQCLSA-N 359.495 3.685 0 40 FHAB CCc1cc(OCC2CCN(c3ncnc(C(C)C)c3F)CC2)nnc1C 1888876364 OXKRUKAEVPZASU-UHFFFAOYSA-N 373.476 3.695 0 40 FHAB Cc1nc2c(c(N3CCN(c4nc5c(C)cccc5s4)CC3)n1)CCC2 1888962456 KPDNPWXXNRSZKV-UHFFFAOYSA-N 365.506 3.518 0 40 FHAB COc1ccccc1N[C@@H](NC(=O)c1cccnc1)C(Cl)(Cl)Cl 808610 FZYHFBDNQVKSGL-AWEZNQCLSA-N 374.655 3.628 0 40 FHAB O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CCCC1 826528 SINXQHBCJRIMRF-UHFFFAOYSA-N 360.339 3.651 0 40 FHAB COc1ccc2c(c1)C=C(C(=O)NCc1cccc(C(F)(F)F)c1)CO2 1391489 WHWNLOCPGMRFPA-UHFFFAOYSA-N 363.335 3.806 0 40 FHAB CCc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)cc1 1454427 FANITCOXSSMZCN-LGMDPLHJSA-N 372.490 3.688 0 40 FHAB Cc1ccc(NC(=O)CCCCCNS(=O)(=O)c2ccc(C)cc2)cc1 2184257 IFVKAGDRCCXPIK-UHFFFAOYSA-N 374.506 3.781 0 40 FHAB Cc1ccc(Nc2nc(N)nc(CSc3nc4ccccc4[nH]3)n2)cc1 2203124 XQRZEMKNWQLCOA-UHFFFAOYSA-N 363.450 3.674 0 40 FHAB CCCCCn1c(N)c(C(=O)NCC(C)C)c2nc3ccccc3nc21 2251852 LTIWSELYGWLJEM-UHFFFAOYSA-N 353.470 3.743 0 40 FHAB COc1cccc(-c2nc3c4c5c(sc4ncn3n2)COC(C)(C)C5)c1 2365686 ZNFHRNNVBQXSIZ-UHFFFAOYSA-N 366.446 3.866 0 40 FHAB CC[C@@]1(C)Cc2ccccc2-c2c1c(=O)n(Cc1ccccc1)c1nncn21 2393781 KFLXLOXVOJIXJO-QHCPKHFHSA-N 370.456 3.830 0 40 FHAB COc1ccc(Cl)cc1C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cn1 3497820 HTONUIPDRWBDFB-VIFPVBQESA-N 369.204 3.581 0 40 FHAB COc1ccc(-n2nnnc2SCCCC(=O)c2ccc(F)cc2)cc1 3501761 QMLJHMFPKLYXKA-UHFFFAOYSA-N 372.425 3.565 0 40 FHAB C[C@H](Sc1nnc(-c2ccccc2)n1C)C(=O)N1CCc2ccccc21 3544834 DCPQMCAKOLCYFJ-AWEZNQCLSA-N 364.474 3.552 0 40 FHAB Cc1cc(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)c2ccccc2n1 3544848 WKQAZEYOWARCQN-HNNXBMFYSA-N 360.413 3.678 0 40 FHAB COc1ccc(S(=O)(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1 4138283 SMBMBNFZNIYORG-UHFFFAOYSA-N 370.474 3.534 0 40 FHAB O=S(=O)(Oc1c(Cl)cc(Cl)c2cccnc12)N1CCCCC1 4335365 INXBEXRKXYBLGL-UHFFFAOYSA-N 361.250 3.651 0 40 FHAB Cc1ccn2c(=O)nc(SCc3ccc(Cl)cc3Cl)nc2c1 4503977 MGOHNNSVEOLORX-UHFFFAOYSA-N 352.246 3.997 0 40 FHAB Cc1oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2c1C(=O)O 4660894 UZVVWRBCUSWUON-UHFFFAOYSA-N 365.794 3.894 0 40 FHAB in-vitro O=C(CCC(=O)Nc1cccc(C(F)(F)F)c1)NCCc1ccccc1 4671985 GTHGBKUVHJCVSC-UHFFFAOYSA-N 364.367 3.783 0 40 FHAB CCCn1c(SCC(=O)N(CC)CC)nnc1-c1ccc(Cl)cc1 4689035 LRKPFQWJTXDBBZ-UHFFFAOYSA-N 366.918 3.969 0 40 FHAB Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)N(c2ccccc2)c2ccccc2)n1 4999443 LUAVEMOCFPUFGX-HNNXBMFYSA-N 365.458 3.924 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1ccco1 5194235 ZCZNFLDLHDARFG-SECBINFHSA-N 358.619 3.779 0 40 FHAB Cc1cc(NC(=O)c2ccc(Br)o2)ccc1N1CCCC1=O 5440020 NPSQCNULPHTJJE-UHFFFAOYSA-N 363.211 3.730 0 40 FHAB CC(=O)c1ccc(OCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 5443839 XKZYJJZVYOYURA-NOCBQHASSA-N 355.478 3.989 0 40 FHAB C[C@@H]1CCc2sc(C(=O)OCC(=O)N3CCc4ccccc43)cc2C1 5773601 MWGPCYAMLUBQQS-CYBMUJFWSA-N 355.459 3.619 0 40 FHAB CC(C)c1ccccc1NC(=O)COc1cccc(N2CCCC2=O)c1 7063834 PKQLAKIMABZUKJ-UHFFFAOYSA-N 352.434 3.954 0 40 FHAB COc1ccc(CNC(=O)CSCc2ccccc2Cl)cc1OC 7094228 DIWSMMKGBLQGGI-UHFFFAOYSA-N 365.882 3.907 0 40 FHAB Cc1ccc(N[C@H]2CC(=O)N(c3ccccc3Br)C2=O)c(C)c1 7212969 BYXGLSAWKZPFCF-HNNXBMFYSA-N 373.250 3.810 0 40 FHAB COc1ccc(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)c(OC)c1 7360958 VJEXTQADZLCXBB-UHFFFAOYSA-N 365.451 3.637 0 40 FHAB CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccccc1C 7608872 ZTVYJAJMVODNSO-UHFFFAOYSA-N 366.490 3.682 0 40 FHAB C[C@H](NC(=O)CSc1nncn1-c1ccccc1)c1ccc(F)cc1F 7677633 ZXIPGSWBYXWOAW-LBPRGKRZSA-N 374.416 3.515 0 40 FHAB Cc1noc(C)c1C(=O)OCc1csc(COc2ccc(F)cc2)n1 7835830 FDSMEHFZOWGUCE-UHFFFAOYSA-N 362.382 3.823 0 40 FHAB Cc1ccc(C2=NN=C(NCc3ccc4c(c3)OCO4)SC2)c(C)c1 7849021 BKRXNWDXTJQZQU-UHFFFAOYSA-N 353.447 3.629 0 40 FHAB O=C(CCc1nc(-c2ccsc2)no1)N[C@@H]1CCCc2ccccc21 7954305 QTGLULCVLBXOEI-MRXNPFEDSA-N 353.447 3.925 0 40 FHAB Fc1ccccc1OCCSc1nnc(-c2ccc3c(c2)OCO3)o1 8231254 FUVHIHQJZZYWJW-UHFFFAOYSA-N 360.366 3.776 0 40 FHAB COC(=O)c1cc(-c2ccc(OC)cc2OC)nc2onc(C(C)C)c12 8342531 ANVLHYTYRRGEAV-UHFFFAOYSA-N 356.378 3.817 0 40 FHAB CCNC(=O)NC(=O)[C@H](Nc1cccc(C(F)(F)F)c1)c1ccccc1 8718879 FMIDJOUHMBFEOM-OAHLLOKOSA-N 365.355 3.704 0 40 FHAB O=S(=O)(NC[C@H](c1ccsc1)N1CCCC1)c1ccc(Cl)cc1 8899728 ZAQONDLFNOMFJN-MRXNPFEDSA-N 370.927 3.517 0 40 FHAB O=C(CSc1ccc(C(F)(F)F)cn1)N1CCC(c2ccccc2)=N1 9364583 NAGBCHLWEPZPSV-UHFFFAOYSA-N 365.380 3.829 0 40 FHAB COc1ccc([C@H](C)NC(=O)NCCc2c[nH]c3ccccc23)cc1F 9385133 VXLHWPRGCQOBLK-ZDUSSCGKSA-N 355.413 3.919 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)COc1ccc(CC)cc1 10473075 RCQIVSMTEIMJDL-UHFFFAOYSA-N 354.450 3.796 0 40 FHAB Cc1sc2nc(CSc3nnc(NC4CC4)s3)nc(N)c2c1C 10536202 SXEWEWPDXZYDDO-UHFFFAOYSA-N 364.525 3.608 0 40 FHAB CC(C)Oc1ccc(CCCNS(=O)(=O)Cc2ccc(F)cc2)cc1 10543384 BVBWDGCWGLUOMJ-UHFFFAOYSA-N 365.470 3.665 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)CNc2cccc(Cl)c2F)c1 11624093 BXEXBUKPIRAOKR-UHFFFAOYSA-N 350.777 3.625 0 40 FHAB O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc2ccccc2c1 12109188 AUJRLHZCDYIKGW-UHFFFAOYSA-N 366.442 3.533 0 40 FHAB O[C@H](CN1CCC(O)(c2ccc(F)cc2)CC1)c1ccc2ccccc2c1 12292287 LYENZSBRFYCBRW-JOCHJYFZSA-N 365.448 3.996 0 40 FHAB Nc1nc2c(s1)[C@H](c1ccc(OCc3ccccc3F)cc1)CC(=O)N2 12375543 JAYKATRJDPMZBC-AWEZNQCLSA-N 369.421 3.918 0 40 FHAB Nc1nc2n(n1)[C@H](c1ccco1)C[C@H](c1ccc(Cl)cc1Cl)N2 12469205 VCRPQYJPGYILCZ-NEPJUHHUSA-N 350.209 3.906 0 40 FHAB CC(=O)Nc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 12754636 UUKCPQOHCIAAFT-SRXKAHCNSA-N 374.444 3.721 0 40 FHAB COc1ccc([C@H]2CCCN2S(=O)(=O)/C=C/c2ccccc2)cc1OC 12758643 IELAVEWDTOBPBR-QIXNEVBVSA-N 373.474 3.841 0 40 FHAB Cc1ccc(OCCN(C)Cc2cc(=O)oc3c(C)c(O)ccc23)cc1 12776123 FZFVNWSUYYUIAN-UHFFFAOYSA-N 353.418 3.626 0 40 FHAB CC[C@H](OC(=O)c1csc2c1CC[C@@H](C)C2)C(=O)Nc1cc(C)on1 12794609 HBPWAVDBZAKTRK-YGRLFVJLSA-N 362.451 3.743 0 40 FHAB Cc1ccc(C(N)=O)c(OCC(=O)N(Cc2ccccc2)c2ccccc2)c1 12870379 XQZOCNBJDXEXKX-UHFFFAOYSA-N 374.440 3.706 0 40 FHAB COc1ccccc1[C@@H](CNC(=O)Nc1cccc(C)c1)N1CCCC1 12921412 NRLKWEBFZBEWAB-LJQANCHMSA-N 353.466 3.962 0 40 FHAB CCc1ccc([C@@H](NC(=O)CNC(=O)Nc2ccccc2)C(C)C)cc1 12924140 XHEWUEZPAGNNFR-FQEVSTJZSA-N 353.466 3.884 0 40 FHAB Cc1ccc(NC(=O)CCS(=O)(=O)c2ccccc2F)cc1Cl 14117146 NVSDSQPIUMXUKL-UHFFFAOYSA-N 355.818 3.590 0 40 FHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc2cc(Cl)ccc2o1 14120593 XSQLHWWFDVIGCN-UHFFFAOYSA-N 367.792 3.595 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)N3CCN(C)C[C@H]3c3ccccc3)cc2)n1 14183066 BCRXZTVKJNVUGY-QFIPXVFZSA-N 374.488 3.618 0 40 FHAB COc1cccc(CN(C)Cn2nc(-c3ccccc3)[nH]c2=S)c1OC 14201143 ZVBQXNQYZQWUGJ-UHFFFAOYSA-N 370.478 3.714 0 40 FHAB C[C@H]1CCc2nc(NC(=O)Cc3csc(-c4ccccn4)n3)sc2C1 14635433 ZXPRJUJVRCWILB-NSHDSACASA-N 370.503 3.968 0 40 FHAB Cn1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21 15013178 VKUYYHCIRVAKOQ-CXUHLZMHSA-N 351.793 3.929 0 40 FHAB COc1ccccc1-c1cc(CN2CCN(c3ccc(F)cc3)CC2)on1 15519930 GVXCWTJYHIWIHY-UHFFFAOYSA-N 367.424 3.812 0 40 FHAB CC(=O)NCCC(=O)N(Cc1ccccc1)c1nc2c(C)cccc2s1 15941053 ZTMLVVUWXCDVAM-UHFFFAOYSA-N 367.474 3.664 0 40 FHAB CC(C)CC[C@@H](C)NC(=O)c1ccccc1S[C@H]1CCS(=O)(=O)C1 19309890 QGKSJWCFNITJQO-CABCVRRESA-N 369.552 3.520 0 40 FHAB Cc1ccc(C)c(-n2ccc3nc4ncnn4c(-c4ccccc4)c3c2=O)c1 19960236 VVVHPXNXORBMKI-UHFFFAOYSA-N 367.412 3.712 0 40 FHAB C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)CC[C@H](NC(=O)c3cccc(F)c3)[C@@H](C)[C@H]21 20466739 GVQCXHYWNVXUED-WPVLZUISSA-N 373.468 3.948 0 40 FHAB biogenic,in-vitro Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)c1 20494862 MUVLEIJGXJOAHN-LJQANCHMSA-N 352.478 3.728 0 40 FHAB COc1ccc([C@H](CNC(=O)CCc2ccccc2Cl)N(C)C)cc1 21224122 GOMMCSREMSWAKM-IBGZPJMESA-N 360.885 3.700 0 40 FHAB Cc1cccc2cc(/C=C3/SC(=N)NC3=O)c(N3CCCCC3)nc12 21595154 PKVIIPOHBPKBDM-RVDMUPIBSA-N 352.463 3.672 0 40 FHAB CCN1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(C)cc2)CC1 22460093 FYSSMAPBTFFJTD-YLJYHZDGSA-N 371.550 3.554 0 40 FHAB Cc1ccccc1-c1noc(CN2C(=O)COc3cc(Cl)ccc32)n1 23126173 FEOADWNALHMRDU-UHFFFAOYSA-N 355.781 3.624 0 40 FHAB O=C(Cc1cc(O)nc(SCc2ccccc2)n1)NCC1CCCCC1 23138043 KPKMLATVTOIFIX-UHFFFAOYSA-N 371.506 3.714 0 40 FHAB C[C@@H](NC(=S)CCc1ccccc1)[C@@H](c1ccccc1)N1CCOCC1 25329169 STUGGEMQWKTUDZ-GCJKJVERSA-N 368.546 3.998 0 40 FHAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1c(Cl)cccc1Cl 29710556 JLSCZHHEXIAROI-JTQLQIEISA-N 371.289 3.592 0 40 FHAB CNc1snc(C)c1C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 31126560 RFTWROVPWHXQBR-LBPRGKRZSA-N 356.451 3.654 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cccc(Cn3cccn3)c2)c(Cl)c1 31722448 YFHOIMMUCQDPBG-UHFFFAOYSA-N 361.854 3.694 0 40 FHAB CCOC(=O)COc1cccc(NC(=O)c2ccc(Cl)cc2F)c1 32033690 VCFVHVMQRPTQFG-UHFFFAOYSA-N 351.761 3.673 0 40 FHAB Cc1ccc(Oc2ccc(OCC(=O)NC3CCC(O)CC3)cc2)cc1 32903026 TYXRLKACJFKXBI-UHFFFAOYSA-N 355.434 3.586 0 40 FHAB CNC(=O)Nc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1 32903286 SRCYFGQZZHDLCW-UHFFFAOYSA-N 365.433 3.528 0 40 FHAB Cc1csc(CNC(=O)CSc2nccn2-c2cccc(C)c2C)n1 32904513 HPOXUIYSCGUYCW-UHFFFAOYSA-N 372.519 3.663 0 40 FHAB O=C(/C=C/c1ccccc1)NCCC(=O)Nc1ccc(O)c2ccccc12 32904515 AHEJSXGRKCDKDC-JLHYYAGUSA-N 360.413 3.704 0 40 FHAB O=C1C[C@H](c2ccc3c(c2)OCO3)c2ncn(-c3cccc(Cl)c3)c2N1 35324353 DSEQFMKQDAMUAM-CQSZACIVSA-N 367.792 3.729 0 40 FHAB Cc1cc(C(=O)N2CCCC[C@H]2C)c2cnn(-c3ccccc3F)c2n1 36615998 NVLMCEFHKXUDKT-CQSZACIVSA-N 352.413 3.883 0 40 FHAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc2c(c1)OCC(=O)N2 40056868 BHMWIBYRSNTXGX-LBPRGKRZSA-N 350.374 3.597 0 40 FHAB CN(C)[C@@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)c1ccsc1 40070895 WJCVNBNJUVWBDX-HNNXBMFYSA-N 356.413 3.729 0 40 FHAB O=C(/C=C/c1c(F)cccc1F)NCc1cccc(NC(=O)C2CC2)c1 40106521 REOLWLWCDOBGSZ-MDZDMXLPSA-N 356.372 3.643 0 40 FHAB c1ccc(Cc2nc(CN(C[C@@H]3CCCO3)C[C@@H]3CCCO3)cs2)cc1 40120180 MOZZRJPWRVQUSG-PMACEKPBSA-N 372.534 3.894 0 40 FHAB CCc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)cc1 40130299 GORLORLGVVFABO-PBHICJAKSA-N 372.900 3.786 0 40 FHAB COc1ccc(C(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)cc1OC 40287909 YQJYNDJXOCLEGV-UHFFFAOYSA-N 365.311 3.851 0 40 FHAB CCN(CC)CCOc1ccc(NC(=O)c2cc(F)cc3[nH]cnc23)cc1 48374550 MWAWWOJGLNNJLF-UHFFFAOYSA-N 370.428 3.675 0 40 FHAB CC(=O)Nc1ccc(Cn2cnc(C(=O)Nc3cccc(Cl)c3)c2)cc1 49422242 QSWXMNJZTNMDIY-UHFFFAOYSA-N 368.824 3.796 0 40 FHAB Cc1nc(C(=O)N(C)Cc2ccc([C@@H]3C[C@H]3C)o2)nn1-c1ccc(F)cc1 53194568 MGNDXDCZKABYLM-SJKOYZFVSA-N 368.412 3.703 0 40 FHAB Cc1nc(NC(=O)Cc2c(C)noc2C)sc1Cc1ccccc1F 55579915 DRVHTFSGRBWLFG-UHFFFAOYSA-N 359.426 3.967 0 40 FHAB Cc1cc(C)c(NC(=O)[C@@H](C)N2CCN(c3ccccc3)CC2)c(C)c1 57024228 UTEPNNRQBPFYBK-LJQANCHMSA-N 351.494 3.761 0 40 FHAB C[C@H](NCC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccc(Cl)cc1 57336088 ULSQLSFNWHWFCZ-ZDUSSCGKSA-N 371.868 3.522 0 40 FHAB COc1cc(CC(=O)NCCc2nc(-c3ccccc3)oc2C)ccc1C 58438430 IMDZKYCLJQSXKJ-UHFFFAOYSA-N 364.445 3.868 0 40 FHAB O=C(Nc1ccc(Br)cn1)Nc1ccc(Br)cn1 62701813 YSZWPYUJHMXMSV-UHFFFAOYSA-N 372.020 3.646 0 40 FHAB COc1ccc(CCCNC(=S)Nc2ccc(F)cc2F)cc1OC 64936518 MNQXLTYYJHNLML-UHFFFAOYSA-N 366.433 3.901 0 40 FHAB O=C(O)CN(CC1CC1)C(=O)OCC1c2ccccc2-c2ccccc21 70915475 FSOTYOXGANNJPU-UHFFFAOYSA-N 351.402 3.732 0 40 FHAB Cc1cccc(N(C)C(=O)COC(=O)c2ccccc2Br)c1 72330011 LBOHRSYVDAVCFV-UHFFFAOYSA-N 362.223 3.577 0 40 FHAB CCn1c2cc(C)sc2c2cnn(CC(=O)OC3CCCCC3)c(=O)c21 72334825 HOMVIYCFCQTTKJ-UHFFFAOYSA-N 373.478 3.617 0 40 FHAB c1cnc(Nc2nccc([C@@H]3CCCN(CC4CCCCC4)C3)n2)cn1 72377848 MGMGUIHCZMYSPE-QGZVFWFLSA-N 352.486 3.770 0 40 FHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1nc(-c2ccccc2)no1 78579704 NTLJYRPMQFVZJS-QGZVFWFLSA-N 365.433 3.827 0 40 FHAB O=C(Nc1ccccc1N1C(=O)CCC1=O)c1cccc(Cl)c1Cl 78882200 KCSQDNQQOKSHDL-UHFFFAOYSA-N 363.200 3.899 0 40 FHAB C[C@@H](CC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl)c1ccncc1 79092874 BVAHXFHFOWHZLR-MEDUHNTESA-N 353.249 3.732 0 40 FHAB O=C(NC1CC1)C1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 84522638 VXRYCAOXCGDDNR-OAQYLSRUSA-N 352.453 3.906 0 40 FHAB CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1cccc(F)c1 95418678 FKLCBKPBNXSVMR-LJQANCHMSA-N 371.452 3.828 0 40 FHAB CSc1nc2ncnc(NCc3cccc(-c4ncc[nH]4)c3)c2s1 95460524 OKJZEZMSBZFYAR-UHFFFAOYSA-N 354.464 3.810 0 40 FHAB C[C@H](Oc1ccccc1Cl)C(=O)N(C)Cc1nc(-c2ccccc2)no1 95482302 BOXOWAXDLRUSFN-ZDUSSCGKSA-N 371.824 3.816 0 40 FHAB CCOc1ccc([C@H](N)c2n[nH]c(-c3cccc(C)c3)n2)cc1OCC 95534600 XOLAWBRYHFIUOD-SFHVURJKSA-N 352.438 3.626 0 40 FHAB c1ccc(COC[C@]23CCCO[C@H]2CCN(Cc2cccs2)C3)nc1 96040225 IMVTZFCPCLNRMK-VQTJNVASSA-N 358.507 3.731 0 40 FHAB Cc1ccc(CN2C[C@@H]3CCCO[C@@H]3[C@H](N(C)Cc3ccco3)C2)s1 96057143 PKPYAGDVZRASTE-DBVUQKKJSA-N 360.523 3.761 0 40 FHAB Cc1ccc(CN2C[C@H]3c4ccccc4[C@H](N4CCOCC4)[C@H]3C2)s1 96058344 XXBYRFJDOWRXHA-ACRUOGEOSA-N 354.519 3.659 0 40 FHAB C[C@@](O)(CNC(=O)Cc1ccsc1)c1ccc(-c2ccccc2)cc1 206702668 VZWUNVWRJXUUEG-OAQYLSRUSA-N 351.471 3.982 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cc3c(C)cc(=O)[nH]c3cc2Cl)cc1 217434992 WDLBVQJPNVKBFY-UHFFFAOYSA-N 362.838 3.599 0 40 FHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1nccs1 222727521 YEUFFKBZZZBQOU-CVEARBPZSA-N 369.519 3.548 0 40 FHAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC(C(=O)OC)CC1 222932674 CTUMAQRKLZLHKJ-GOSISDBHSA-N 361.482 3.553 0 40 FHAB CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224808234 UILXNHCFBHAQRI-UHFFFAOYSA-N 373.833 3.712 0 40 FHAB CCc1ccc(OCCNC(=O)CCCc2ccc3c(c2)OCCO3)cc1 224945740 CFMMKMQGRPEKIQ-UHFFFAOYSA-N 369.461 3.538 0 40 FHAB COc1nc(SC)ncc1/C=C1/SCCN1C(=O)C1CCCCC1 225240816 VBXYICZABJHYTI-GXDHUFHOSA-N 365.524 3.661 0 40 FHAB CC(C)(C)OC(=O)NCCCCC(=O)CCCCNC(=O)OC(C)(C)C 225750180 UJABLBIYZBFWCD-UHFFFAOYSA-N 372.506 3.946 0 40 FHAB O=C(/C=C\c1cccs1)N1C[C@@H](c2ncon2)[C@H](c2ccccc2)C1 245060746 PZIIEGVBBUMZAM-DLBZAZTESA-N 351.431 3.554 0 40 FHAB O=C(CC1CCOCC1)N1CCC[C@@H](Cc2ccnc3ccccc23)C1 257341893 ZMIHPLJBQZXDHO-SFHVURJKSA-N 352.478 3.833 0 40 FHAB COc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(OC)c1 260777698 QLKRUNSLKXAZMQ-NXOUGTEYSA-N 355.463 3.688 0 40 FHAB O=C1c2cccn2[C@H]2CN(Cc3cccs3)C[C@H]2N1Cc1ccccc1 306126458 DWKFGAQYSHQECN-VQTJNVASSA-N 363.486 3.631 0 40 FHAB O=C1c2cccn2[C@H]2CN(Cc3ccsc3)C[C@@H]2N1Cc1cccs1 306143885 YPPCMBWZNMQADV-ROUUACIJSA-N 369.515 3.693 0 40 FHAB COCCNC(=S)c1cccc(OC)c1OCc1ccccc1Cl 408576678 QJBBZGOQGBSKJM-UHFFFAOYSA-N 365.882 3.839 0 40 FHAB C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)NCC[C@H]1CCCOC1 528093892 CCAQQMBTZTXVPL-RKVPGOIHSA-N 366.889 3.628 0 40 FHAB C[C@H](Cn1ncc2ccccc2c1=O)NCc1ccsc1C(F)(F)F 529541117 FLVAZOJGGJEGIK-LLVKDONJSA-N 367.396 3.655 0 40 FHAB O=C(c1ccc(F)c(F)c1F)N1CCC[C@H](Oc2ccncc2Cl)C1 575611583 DHNGTAOPDSDPHL-JTQLQIEISA-N 370.758 3.836 0 40 FHAB CC(C)N1C(=O)C2(CCN(C(=O)Cc3ccccc3)CC2)c2ccccc21 585105122 YRSUIDNFDWNXBQ-UHFFFAOYSA-N 362.473 3.545 0 40 FHAB C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1ncc[nH]1 585113653 FRTXRDSUMAWKPV-INIZCTEOSA-N 353.344 3.546 0 40 FHAB CCCN(C(=O)c1ccc(C(F)(F)F)c(O)n1)[C@H]1C[C@H](OCC)C1(C)C 669088326 UEPFFOUPFMFYDQ-KBPBESRZSA-N 374.403 3.862 0 40 FHAB Cc1ccc(F)c2oc(C(=O)Nc3ccn(Cc4ccncc4)n3)cc12 1529542543 RINQYVUVEGDCLD-UHFFFAOYSA-N 350.353 3.772 0 40 FHAB COc1ccc(-c2nn3c(N)nc(-c4ccccc4)c3cc2C(C)=O)cc1 1548338341 MAEMZXBKWUFUCG-UHFFFAOYSA-N 358.401 3.857 0 40 FHAB O=C(c1ccc(COc2ccccc2)cc1)N(CCO)Cc1ccccc1 84535689 VERLTKOAEYSBFS-UHFFFAOYSA-N 361.441 3.900 0 40 FHAB CCCCn1c(SCC(=O)Nc2ccccc2)nc2ccccc2c1=O 3492778 UOZCBGKAHGPZFB-UHFFFAOYSA-N 367.474 3.927 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 3592066 BCDPOXYNWMVALX-UHFFFAOYSA-N 360.479 3.621 0 40 FHAB CCN(CC)C(=S)SCCOCCSC(=S)N(CC)CC 4404091 BIOMWKOSLJQECS-UHFFFAOYSA-N 368.659 3.723 0 40 FHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)N[C@@H]1CCOc2ccccc21 43165626 ZIQYYOJBMFLFLC-LJQANCHMSA-N 362.433 3.538 0 40 FHAB CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(N)=O)c2C)cc1 6629441 DFIPQGCAMFYKTF-PDGQHHTCSA-N 364.449 3.539 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1 7780895 FIQTWICFZINZQH-ZDUSSCGKSA-N 371.824 3.782 0 40 FHAB COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(F)cc2C)cc1OC 1384801 DTHLWGJTVXSJGR-WEVVVXLNSA-N 374.437 3.678 0 40 FHAB CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NCCCOC 8499263 DSKXVTHHVICICN-UHFFFAOYSA-N 372.490 3.817 0 40 FHAB C[C@H](OC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1ccc(N2CCCC2)cc1 107329643 HLXAYUZZDRXEEX-XSLAGTTESA-N 370.493 3.983 0 40 FHAB Cc1cc(SC[C@H](NC(=O)c2ccccc2)C(=O)O)c2ccccc2n1 12528167 VNFZQLBRGJZAMR-KRWDZBQOSA-N 366.442 3.519 0 40 FHAB COCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 22844517 DWYNXFVELWFLEH-UHFFFAOYSA-N 352.312 3.543 0 40 FHAB CC1CCC(NC(=O)[C@@H](NC(=O)c2ccccc2Cl)C(C)C)CC1 27624726 ANPVHKDSNDDNME-KVULBXGLSA-N 350.890 3.789 0 40 FHAB Cc1cc(NC(=O)c2ccc3c(c2)OCO3)cnc1N1CCCC[C@H]1C 95468406 GRCPEPIKRYOBLV-CQSZACIVSA-N 353.422 3.750 0 40 FHAB CCOc1ncccc1CNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 28041845 JOBAHWFITBSYJT-UHFFFAOYSA-N 362.495 3.501 0 40 FHAB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1sccc1C 2347103 FRVWBMWJJOPOGL-INIZCTEOSA-N 366.446 3.637 0 40 FHAB CC(C)C(=O)N1CCC[C@@H](C(=O)N(C)[C@H](C)c2cc3ccccc3o2)C1 46197261 YSJZLKQMELWNPL-NVXWUHKLSA-N 356.466 3.847 0 40 FHAB Cc1nc(-c2cccc(NC(=O)COC(=O)CCc3ccco3)c2)cs1 21099441 CXLOGGWFLADORR-UHFFFAOYSA-N 370.430 3.826 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(O)c(C(=O)O)c1 20144684 LAILXKWQKAAETG-MRVPVSSYSA-N 370.188 3.803 0 40 FHAB Cc1cc(C)n2nc(S[C@@H](C)C(=O)Nc3ccc(Cl)cc3)nc2n1 3467137 FEFWSPZUUFFXCY-NSHDSACASA-N 361.858 3.514 0 40 FHAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)[C@H]1COc2ccccc2O1 9048142 MPERXIXVYZLSAI-MJGOQNOKSA-N 369.417 3.933 0 40 FHAB CCN(C(=O)CSc1nnc(-c2ccc(F)cc2)n1C)C1=CCCC1 12997960 WGKCQLPRDXIHAI-UHFFFAOYSA-N 360.458 3.630 0 40 FHAB CCOC(=O)C1CCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 13038429 PNDIFIAKEIJXMF-NSHDSACASA-N 373.280 3.596 0 40 FHAB C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@H](C2(C)OCCO2)C1 96010283 MEXPBVAXDGXMCY-KBPBESRZSA-N 369.914 3.822 0 40 FHAB CCc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(Cl)cc3)n2)cc1 9205778 WAHVQPLKQWARGB-UHFFFAOYSA-N 353.809 3.701 0 40 FHAB COc1cccc([C@H]2CC(=O)Nc3sc(C(=O)c4ccco4)c(N)c32)c1 5044039 WQMVJLDCXQIQLR-GFCCVEGCSA-N 368.414 3.637 0 40 FHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)CCC(=O)c2ccccc2)c(C)c1 5062464 IKIGDDFOBVHHMS-UHFFFAOYSA-N 366.461 3.672 0 40 FHAB CCOc1ccc(C(C)=O)cc1CSc1nc2ccsc2c(=O)n1C 13985696 QYUCZDHKZLNSGP-UHFFFAOYSA-N 374.487 3.889 0 40 FHAB COc1ccc(Cl)cc1NC(=O)c1nnn(-c2ccc(C)c(F)c2)c1C 4484186 RGXFXHJCEIPENS-UHFFFAOYSA-N 374.803 3.938 0 40 FHAB O=c1c(Cl)c(NCc2cc3ccccc3[nH]2)cnn1-c1ccccc1 65548143 UQAZZZFIUXTJNY-UHFFFAOYSA-N 350.809 3.979 0 40 FHAB CCN(CC)CCCNc1ncnc2c1c(C)c(C)n2Cc1ccco1 5348359 FYIWFHZKFLEGGB-UHFFFAOYSA-N 355.486 3.833 0 40 FHAB O=C(NCCc1nc2ccccc2s1)NCCc1c[nH]c2ccccc12 14140541 PRHQEVMXAFIHAD-UHFFFAOYSA-N 364.474 3.862 0 40 FHAB COc1ccc([C@H](NS(=O)(=O)c2ccc(F)c(F)c2)C(C)C)cc1 14196631 UMRNSTHBGGIBFH-QGZVFWFLSA-N 355.406 3.649 0 40 FHAB Cc1sc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c(C(N)=O)c1C 4502801 BVMMLJZOFXTDTE-SECBINFHSA-N 352.843 3.523 0 40 FHAB Cc1cc(NC(=O)[C@H](C)Sc2n[nH]c(/C=C/c3ccc(F)cc3)n2)no1 14898033 QNHHADKTIXUDID-BWNDKRECSA-N 373.413 3.530 0 40 FHAB C[C@@H](NC(=O)COC(=O)Cc1cccs1)C12CC3CC(CC(C3)C1)C2 5786467 VPRMEBZJFJMKJO-XXWNAHEMSA-N 361.507 3.555 0 40 FHAB C[C@H](Sc1nnc(-c2ccco2)o1)C(=O)N[C@@H](C)c1ccc(F)cc1 4828544 UJSRANGXRNMVJS-QWRGUYRKSA-N 361.398 3.827 0 40 FHAB CC(C)c1ccccc1OCC(=O)Nc1cccc(N2CCCC2=O)c1 6988064 PCHROCQLADQJKH-UHFFFAOYSA-N 352.434 3.954 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)NCCSCc3ccco3)cc2)n1 7058347 UWOCCYMAANMNML-UHFFFAOYSA-N 355.463 3.745 0 40 FHAB c1ccc(-c2cnn3cc(CN4CCC[C@@H](Cn5ccnc5)C4)cnc23)cc1 67840613 WHKWQIAAFOXGFW-GOSISDBHSA-N 372.476 3.505 0 40 FHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1ccc(Cl)cc1 7444493 LNRMDHWJFATVBT-AWEZNQCLSA-N 371.868 3.536 0 40 FHAB CCCN1C=NS(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3C)ccc21 15867499 SNWGMVJPAWZVDQ-UHFFFAOYSA-N 371.462 3.503 0 40 FHAB C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1CN1CCCC1 24189614 JHRURTKGSYOUJK-INIZCTEOSA-N 356.441 3.505 0 40 FHAB Cc1noc(C)c1CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 7735334 QQSVXGSVFODKLZ-AWEZNQCLSA-N 355.463 3.850 0 40 FHAB Cc1cc2ccccc2n1CC(=O)NCc1ccc(Cn2cccn2)cc1 16302414 KSWUQFCXDSMCBU-UHFFFAOYSA-N 358.445 3.511 0 40 FHAB C[C@@H](NC(=O)C(=O)Nc1ccc2ncccc2c1)c1ccc2c(c1)CCCC2 71853601 OEOVAQHZYOGRIE-OAHLLOKOSA-N 373.456 3.930 0 40 FHAB C[C@H]1CCCC[C@@H]1OCCNC(=O)N1CCc2[nH]c3ccccc3c2C1 71805111 QTYWXXVAKFAJBE-YWZLYKJASA-N 355.482 3.831 0 40 FHAB COc1ccc(Cl)cc1/C=C1/NC(=O)N(Cc2cccc(C)c2)C1=O 409250686 RRKZQRTWECKBQA-MHWRWJLKSA-N 356.809 3.750 0 40 FHAB Cc1cc(C)cc(Oc2cc(-n3ncc(Cl)c(Cl)c3=O)ncn2)c1 8715064 MTRIXOIUQOHIQP-UHFFFAOYSA-N 363.204 3.738 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 223577322 IMONEBYZEJESQM-IBGZPJMESA-N 366.505 3.789 0 40 FHAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)NCc1ccccc1F 19130987 YMEMSWDRYFVMMZ-UHFFFAOYSA-N 356.180 3.606 0 40 FHAB COc1ccc(CN(c2ccc(Cl)cc2F)S(C)(=O)=O)cc1F 9722048 FWCYVHLSHMWANQ-UHFFFAOYSA-N 361.797 3.593 0 40 FHAB CC(C)C(=O)Nc1cccc(F)c1C(=O)N(C)CCOc1ccccc1 72284181 UYNQCHWCFMFZEX-UHFFFAOYSA-N 358.413 3.571 0 40 FHAB CCSCC[C@H](C)N(C)CC(=O)N(Cc1ccccc1F)C1CC1 72305342 ULXKSGRXSUKZOW-HNNXBMFYSA-N 352.519 3.780 0 40 FHAB COc1ccc(C2=NN(C(=O)C(C)C)[C@H](c3cccc4nccnc34)C2)cc1 72314635 DKZLDWHPKOXAMH-FQEVSTJZSA-N 374.444 3.972 0 40 FHAB CCOc1cccnc1C(=O)O[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 75105880 HTTQTRQLDIOSHK-AWEZNQCLSA-N 370.449 3.962 0 40 FHAB FC(F)(F)c1cc(NCCc2nnc3ccccn23)c2ccccc2n1 89866646 MLAGIVLNMMBGRM-UHFFFAOYSA-N 357.339 3.951 0 40 FHAB CCOc1ccc(S(=O)(=O)N(C)c2ncccc2F)c2ccccc12 89991058 FHDQGHAKUDLJPF-UHFFFAOYSA-N 360.410 3.598 0 40 FHAB Cc1cccc(CCC(=O)NCCc2nc(-c3ccncc3)cs2)c1 76094685 XHAZMHUHBSZJTQ-UHFFFAOYSA-N 351.475 3.805 0 40 FHAB CC(C)NC(=O)N[C@H]1C[C@@H](Cc2cc(COc3ccccc3)on2)C1(C)C 67889981 XCVMDAFZQFQXCO-BEFAXECRSA-N 371.481 3.918 0 40 FHAB biogenic,in-vitro O=C(CC1(Cn2cccc2)CCCCC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 524733513 PUIGLWGXQPGCPF-KNQAVFIVSA-N 358.526 3.982 0 40 FHAB NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 408695538 RFTMAOPPAUHWRP-UHFFFAOYSA-N 367.623 3.993 0 40 FHAB Fc1ccc(OCCN2CCC[C@H](c3cccc(-n4ccnc4)n3)C2)cc1 72378805 RCMFNLKINOSOFM-KRWDZBQOSA-N 366.440 3.665 0 40 FHAB C[C@@H](c1cccs1)N(C)C(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 32463927 UYFFJSJVWYFUDW-STQMWFEESA-N 362.882 3.974 0 40 FHAB Cc1coc(-c2nn3c(-c4ccc(Br)s4)nnc3s2)n1 66091802 GQXFJEUWNGHIQD-UHFFFAOYSA-N 368.241 3.640 0 40 FHAB O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccco2)oc1N1CCCC1 39404195 NBNBAEDQIZPWQK-UHFFFAOYSA-N 362.382 3.507 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1 219066577 CNKDTZXVBOZWPK-SJORKVTESA-N 357.450 3.663 0 40 FHAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc(OC)c1)c1ccc(OC)c(OC)c1 219307284 ZTASSKIFSWBBIN-KDOFPFPSSA-N 373.449 3.747 0 40 FHAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1)c1ccncc1 35289787 PEXUHVBJGSYZGT-IHWFROFDSA-N 353.441 3.536 0 40 FHAB O=C(Nc1ccccc1F)N1CCC[C@@H](c2nnc(C(F)(F)F)o2)C1 75165254 IYDCJRUQQNBNIT-SECBINFHSA-N 358.295 3.639 0 40 FHAB CC1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cc(Cl)cc(Cl)c1 71979912 HPNRUBCDNHODEO-DPBGWIHLSA-N 372.248 3.825 0 40 FHAB C[C@@H](NCc1cc(-c2ccc(F)cc2)cn2nnnc12)c1cccs1 72392368 GQUNYVRBDQDWOV-GFCCVEGCSA-N 353.426 3.843 0 40 FHAB O=S(=O)(NCc1ccc(-c2ccco2)nc1)c1ccc(Cl)s1 225753408 GLNVFOKDILQCRJ-UHFFFAOYSA-N 354.840 3.535 0 40 FHAB C[C@@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)NCc1cccc(F)c1 227152917 MYSCLZMDJSCGPK-CYBMUJFWSA-N 373.815 3.749 0 40 FHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(N2CCOCC2)cc1 225004440 UNNWFYMXBIGPHE-IBGZPJMESA-N 354.450 3.628 0 40 FHAB CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224834007 QKMLQDZZSBGEOC-UHFFFAOYSA-N 367.854 3.635 0 40 FHAB COc1ccc([C@H](C)NC(=O)c2cn3c4c(cccc4c2=O)C[C@H]3C)cc1 223097438 XDCHHZQOBCASPT-KGLIPLIRSA-N 362.429 3.618 0 40 FHAB CSc1nnc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)s1 223499718 OONXRMFWTXLVOU-GFCCVEGCSA-N 362.524 3.744 0 40 FHAB C=CCn1c(O)c(C(=O)Nc2cccc(Cl)c2)c(=O)c2ccccc21 136389196 FIAONVMXVQSRRL-UHFFFAOYSA-N 354.793 3.799 0 40 FHAB CCCCc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)cc1 222476166 NNROKYWDNDWPMK-UHFFFAOYSA-N 374.506 3.986 0 40 FHAB Cc1cccc(Cl)c1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 44841883 ZXOZTVJDUXUZRX-UHFFFAOYSA-N 365.216 3.666 0 40 FHAB Cc1ccc2oc(-c3ccc(Cl)c(N4C[C@H](C(=O)O)CC4=O)c3)nc2c1 45887284 PDANTQCOYUEBLQ-GFCCVEGCSA-N 370.792 3.894 0 40 FHAB Cc1ccc([C@@H](C)NC(=O)c2cccc(CN3CCOCC3)c2)c(C)c1 44847337 QRUBSSSVQFDNRK-GOSISDBHSA-N 352.478 3.627 0 40 FHAB Cc1cc(C)n(-c2cc(SCC(=O)Nc3ccccc3Cl)ncn2)n1 49404146 FQQVEEYANMCIBO-UHFFFAOYSA-N 373.869 3.663 0 40 FHAB Cc1ccc(C(=O)N(C)Cc2ccccc2)c(I)c1 225008761 IPFCZVXLYFMXPQ-UHFFFAOYSA-N 365.214 3.872 0 40 FHAB COc1ccc(C(=O)CNC(=O)c2cn(C(C)C)c3ccccc23)cc1 95474815 YHHAGZPQLKJINE-UHFFFAOYSA-N 350.418 3.844 0 40 FHAB C[C@H](CN1CCCC[C@H]1c1ncc2c(n1)CCN(C)C2)c1ccccc1 247720445 AAHATHJUMQGFQP-UTKZUKDTSA-N 350.510 3.795 0 40 FHAB O=C(N[C@@H]1CCOC2(CCC2)C1)c1csc(Cc2cccc(F)c2)n1 540941570 DRDIPEGSTRNRKA-OAHLLOKOSA-N 360.454 3.705 0 40 FHAB Cc1cc(N2CCO[C@H](c3cccc(Cc4ccccc4)n3)C2)nc(C)n1 257225229 FFJOXTRNNPLTCQ-NRFANRHFSA-N 360.461 3.657 0 40 FHAB CCCOc1ccccc1/C=C/C(=O)N1CCC(NC(=O)CC(C)C)CC1 585820710 JQLSUABVCUYNIC-MDZDMXLPSA-N 372.509 3.642 0 40 FHAB O=S(=O)(/C=C/c1ccccc1)NCc1ccnc(-c2cccs2)c1 252535780 GWCSWQLHLUHUHJ-FMIVXFBMSA-N 356.472 3.900 0 40 FHAB COc1ccc(NC(=S)NCCCN2CCC[C@H](C)C2)c2cccnc12 260737597 MBLWRSNXZLZLAX-HNNXBMFYSA-N 372.538 3.652 0 40 FHAB Cn1cccc1[C@H]1CCCCN1C(=O)c1cn(-c2ccccc2Cl)nn1 673722227 VITJHJWGLKHVKC-GOSISDBHSA-N 369.856 3.627 0 40 FHAB CC(C)n1cnc(S(=O)(=O)N2Cc3ccccc3-c3ccccc32)c1 677136297 JQMWMEPIDSXFRA-UHFFFAOYSA-N 353.447 3.840 0 40 FHAB Cc1ccc(C(=O)N2Cc3cccn3C[C@@H](CCNc3ccccn3)C2)o1 585095498 UJHQNLMUEIRMKS-QGZVFWFLSA-N 364.449 3.559 0 40 FHAB O=C(NCC(c1ccco1)c1ccco1)c1ccc(Br)o1 667389770 GBEUBPZWKHVJFH-UHFFFAOYSA-N 350.168 3.790 0 40 FHAB S=C(NCc1ccccc1)Nc1cccc(I)c1 16238242 BLQPDDZGCCFIHU-UHFFFAOYSA-N 368.243 3.778 0 40 FHAB CC(=O)Nc1cc(NCC(=O)N[C@H](c2ccccc2)C(C)C)ccc1F 50782817 IFWHXLVZSBFQIJ-FQEVSTJZSA-N 357.429 3.710 0 40 FHAB Cc1ccc(Cl)c(C(=O)O)c1NS(=O)(=O)/C=C/c1ccccc1 79066333 GXZNJIXZTOPBRJ-MDZDMXLPSA-N 351.811 3.759 0 40 FHAB COc1ccc(-n2ccc(CNC(=O)[C@H]3[C@@H](C=C(C)C)C3(C)C)n2)cc1 84671032 FDITULYCKAKVHI-RTBURBONSA-N 353.466 3.736 0 40 FHAB COc1ccccc1CN1CCC(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1 107135123 YBSHIZLRCIPRAB-JENIJYKNSA-N 356.510 3.602 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cc3c(s2)CCCCCC3)no1 11877346 RTLHQUBJPNVCJY-GFCCVEGCSA-N 362.451 3.888 0 40 FHAB CCOc1cccc(-c2csc(NC(=O)c3cnc(SC)nc3)n2)c1 12198982 JVPAMICMPYDJKB-UHFFFAOYSA-N 372.475 3.973 0 40 FHAB Cc1ccc(-c2nc(C)sc2CC(=O)N(C)CCN2CCCCC2)cc1 12238210 QDNHCJUIVQMJSH-UHFFFAOYSA-N 371.550 3.914 0 40 FHAB COc1cc(OC)cc(OCC(=O)Nc2ccc(N3CCCC3)cc2C)c1 12796610 MLCHOUQIPXQGKV-UHFFFAOYSA-N 370.449 3.630 0 40 FHAB COc1cc(C(=O)NCCOc2ccc3ccccc3c2)cc(OC)c1C 12990191 ULPVAFOXTBDAQR-UHFFFAOYSA-N 365.429 3.974 0 40 FHAB COc1cc(CN(Cc2ccccc2)C[C@H]2CCCO2)cc(OC)c1OC 13993289 HDJYFTBSBDFGED-LJQANCHMSA-N 371.477 3.894 0 40 FHAB COc1ccc(CNC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1OC 15332336 KSWCMNOVFAKQCM-OAHLLOKOSA-N 365.429 3.941 0 40 FHAB Cn1ccnc1[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)c1ccc(F)cc1 19291207 WXBGKAAWALLTJY-GOSISDBHSA-N 366.371 3.699 0 40 FHAB CCOc1ccc(CC(=O)N2CCC[C@H](c3cc4ncccc4[nH]3)C2)cc1 19532863 YNEIVRHKGWTOQF-KRWDZBQOSA-N 363.461 3.910 0 40 FHAB CCCOc1ccc(/C=C2/SC(=O)N(CN3CCCCC3)C2=O)cc1 19911690 KSTABUUKKAOWPQ-GHRIWEEISA-N 360.479 3.955 0 40 FHAB CNC(=O)c1ccc(CN2CCC[C@H](Cc3ccc(OC)cc3)C2)cc1 552059713 VXPYJTYCZNKSOC-LJQANCHMSA-N 352.478 3.510 0 40 FHAB Cc1ncc(-c2ccccn2)c([C@@H]2CCN(C(=O)c3ccccc3F)C2)n1 19286895 PXLUWVMEQQMNML-OAHLLOKOSA-N 362.408 3.616 0 40 FHAB Cc1ccc(-c2nc(CSc3nnc(-c4ccco4)n3N)cs2)cc1 4601544 GAUFFAVFDNOQNU-UHFFFAOYSA-N 369.475 3.976 0 40 FHAB Cc1nc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1F 1889149199 DZEGGGZKDRAXHZ-UHFFFAOYSA-N 367.346 3.510 0 40 FHAB CCc1c(C)sc2nc(NC[C@@H](C)O)n3nc(-c4ccccc4)nc3c12 32091127 CUHIZRJMJKWMPN-LLVKDONJSA-N 367.478 3.670 0 40 FHAB COc1ccccc1OCC(=O)N(Cc1cccc2[nH]ccc12)C1CC1 32092601 OSQDHFMHBPYVMI-UHFFFAOYSA-N 350.418 3.747 0 40 FHAB CC(C)(C)CC(C)(C)NC[C@@H](O)COCCOc1ccc(Cl)cc1 4279123 NOGSUFTZWFFFEI-MRXNPFEDSA-N 357.922 3.901 0 40 FHAB CCc1ccc(NC(=O)c2cccn(Cc3cccc(F)c3)c2=O)cc1 5268735 PHFCLKPFEIEGJY-UHFFFAOYSA-N 350.393 3.850 0 40 FHAB COCCn1cc(NC(=O)NCc2ccccc2OC)c2ccccc21 5266398 WLUXLMVOACBVHI-UHFFFAOYSA-N 353.422 3.618 0 40 FHAB CSc1cccc(-n2nnc(C(=O)OCc3cccc(C)c3)c2C)c1 12416124 RNPIIGBRTPAQFE-UHFFFAOYSA-N 353.447 3.963 0 40 FHAB Cc1cc(NC(=O)C(C)C)n(-c2nc(-c3ccc4c(c3)OCO4)cs2)n1 12442306 PSQLAHMSRYJTGS-UHFFFAOYSA-N 370.434 3.627 0 40 FHAB Oc1c([C@@H](c2ccco2)N2CCCC2)sc2nc(-c3ccco3)nn12 22852595 OTXMSQHUESLPNB-CYBMUJFWSA-N 356.407 3.535 0 40 FHAB CC(C)(C)c1cc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)ncn1 1775974089 VGENMXGHRZEHHE-UHFFFAOYSA-N 365.403 3.515 0 40 FHAB Cc1nnc(SCc2ccccn2)c2c1cnn2-c1ccc(F)cc1 23137648 PLNKREIIFNFDJV-UHFFFAOYSA-N 351.410 3.950 0 40 FHAB Cc1cc(N)n(-c2ccc(C(=O)NCC(C)(C)c3ccccc3F)cc2)n1 19717857 SDJLWSARWHKIPE-UHFFFAOYSA-N 366.440 3.610 0 40 FHAB Cc1cccc2c(=O)n(CCCC(=O)Nc3ccc(F)cc3Cl)cnc12 10408910 CHULOLHSUDUWSS-UHFFFAOYSA-N 373.815 3.916 0 40 FHAB CCCOc1ccccc1NC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1 40129839 OIJUMEOMBACSBT-AWEZNQCLSA-N 374.872 3.774 0 40 FHAB COc1c2c(cc3c1[C@@H](n1ccc4ccc(F)cc41)N(C)CC3)OCO2 20759349 NMWFHRFZEBIUKN-HXUWFJFHSA-N 354.381 3.553 0 40 FHAB biogenic COc1cc(C(C)=O)ccc1OCc1ccc(C(=O)N2CCCC2)cc1 32724073 OFEQKVQRSWBKSF-UHFFFAOYSA-N 353.418 3.713 0 40 FHAB O=C(Nc1ccc(N2CCOCC2)c(Br)c1)C1CCCCC1 41107561 GPLXYYOJNVHKGF-UHFFFAOYSA-N 367.287 3.805 0 40 FHAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CCc2ccccc21 32843549 WDICBOUMHQNVCT-RBUKOAKNSA-N 351.450 3.636 0 40 FHAB NC(=O)N1CCC[C@H](C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)C1 32842501 WZGAYQCKONCZFK-ZDUSSCGKSA-N 373.840 3.862 0 40 FHAB COc1ccc([C@@H]2CC3=Nc4ncnn4[C@@H](c4cccnc4)C3=C(O)C2)cc1 102674736 HMMCCBYGWYXRHO-QRWLVFNGSA-N 373.416 3.747 0 40 FHAB CCCc1nnc(NC(=O)CCCc2nc(-c3ccccc3)no2)s1 33000063 JEXRJHCEPAGWQS-UHFFFAOYSA-N 357.439 3.502 0 40 FHAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(Cl)c(Cl)c1 22375293 TYAWCBYHXFBPPC-UHFFFAOYSA-N 371.308 3.758 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2cccc(F)c2)o1 928212 JNCXFKVKIVBPRX-LBPRGKRZSA-N 369.421 3.946 0 40 FHAB Cc1cc2cc3c(cc2nc1SCC(=O)N1CCC(C)CC1)OCO3 930043 KOPATJQAWWPCAY-UHFFFAOYSA-N 358.463 3.623 0 40 FHAB CCOP(=O)(CCCCCN1C(=O)c2ccccc2C1=O)OCC 1730986 WDZCGXLTFLYJPM-UHFFFAOYSA-N 353.355 3.719 0 40 FHAB Cc1noc(C)c1CC(=O)N1CCC(c2noc3cc(F)ccc23)CC1 79490786 HDCZCMTYJCZHRP-UHFFFAOYSA-N 357.385 3.520 0 40 FHAB Cc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 983221 JXMODSPGDYADEY-CYBMUJFWSA-N 373.250 3.749 0 40 FHAB COc1ccc(C(=O)Nc2ccc(-n3nncc3C(C)(C)C)cc2)cc1 3582138 WNDSMKUDSOGQMQ-UHFFFAOYSA-N 350.422 3.826 0 40 FHAB C[C@H]1CC[C@H](C)[C@@H](NC(=O)c2ccc(I)cc2)C1 3659903 UKUJCWUKFVTSPO-MJVIPROJSA-N 357.235 3.846 0 40 FHAB CC(C)c1ccc(CS(=O)(=O)[C@@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 105774378 ZYEQUZCPLLGRNJ-BBWFWOEESA-N 365.539 3.618 0 40 FHAB CCOC(=O)C1=NN[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1 4899399 RKUJDFNXSWLLHC-DLBZAZTESA-N 370.836 3.506 0 40 FHAB O=S(=O)(c1ccc(Cl)cc1)c1ccc(N2CCSCC2)cc1 4954572 OYXBGRQBZJJQIT-UHFFFAOYSA-N 353.896 3.726 0 40 FHAB Cc1nc2ccc(NC(=S)NCc3ccc4c(c3)OCO4)cc2s1 6334408 VWUWQCZCMFEVSA-UHFFFAOYSA-N 357.460 3.820 0 40 FHAB Cc1cccc(-c2nnc3sc(NC(=O)c4ccc(F)cc4)nn23)c1 6818062 BGNFOYRGXGAPIT-UHFFFAOYSA-N 353.382 3.553 0 40 FHAB Cc1c(Cl)cccc1NC(=O)c1cccc(NS(C)(=O)=O)c1C 10365423 LZGYDIPMTCWBQY-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB O=C(CSCc1ccccc1)Nc1nnc(COc2ccccc2)o1 61973978 AJWGPPVBEMCAFO-UHFFFAOYSA-N 355.419 3.521 0 40 FHAB O=C(NCCCSc1ccccc1)Nc1cccnc1N1CCCC1 48262703 DWYUWCJRTVHBCA-UHFFFAOYSA-N 356.495 3.986 0 40 FHAB COc1ccc2o/c(=N/c3cccc(C(F)(F)F)c3)c(C(N)=O)cc2c1 103308701 GOQSMUKHPTWZMP-HAVVHWLPSA-N 362.307 3.792 0 40 FHAB COc1cc(OC)cc(C(=O)NCc2ccccc2CN2CCCCC2)c1 10281619 CWSXOMJVHWETHI-UHFFFAOYSA-N 368.477 3.620 0 40 FHAB CCN(C[C@@H]1CCOC1)C(=O)c1ccccc1Nc1ccc(OC)cc1 58291008 NLWGUIGGUPFVGT-INIZCTEOSA-N 354.450 3.937 0 40 FHAB CCOc1ccc([C@H](C)NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 10978645 IFDFAUAPLOMCOB-INIZCTEOSA-N 366.461 3.632 0 40 FHAB O=C(COC(=O)c1ccncc1)Nc1cc(Cl)c(Cl)cc1Cl 3318524 VESKPKLMOONXFM-UHFFFAOYSA-N 359.596 3.837 0 40 FHAB Cc1ccc(-c2csc(NC(=O)CNC(=O)c3ccccc3)n2)s1 11514831 NVGQUFQFYNABGH-UHFFFAOYSA-N 357.460 3.549 0 40 FHAB Cc1ccc(C(=O)Nc2cccc(CNC(=O)CCc3cccnc3)c2)cc1 55802747 GEJFGZUCZNSTAH-UHFFFAOYSA-N 373.456 3.891 0 40 FHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCO[C@H]2CCCC[C@@H]21 46489028 JSUQXQFPEDDLRZ-KBPBESRZSA-N 364.511 3.825 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Oc1ccc2c(c1)CCC(=O)N2 12857944 YDYZYHFJTSJHMT-UHFFFAOYSA-N 359.809 3.988 0 40 FHAB Cc1cc(NC(=O)Cn2ccc(C(F)(F)F)n2)ccc1Br 3415161 HRRYRPGKVPWFRE-UHFFFAOYSA-N 362.149 3.612 0 40 FHAB Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O 3433318 GXFUAOTVVYHDJQ-UHFFFAOYSA-N 363.398 3.504 0 40 FHAB COc1ccc(C(=O)N[C@@H](C(=O)Nc2cc(F)ccc2C)C(C)C)cc1 3566305 JGTCEKAUNUPYCX-GOSISDBHSA-N 358.413 3.536 0 40 FHAB C[C@H](CC(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C)c1ccccc1 9157079 ONAGFOZASVOQCZ-QRWLVFNGSA-N 351.425 3.959 0 40 FHAB O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(-n2cccn2)cc1 9114099 BDAUUWXZUMOGSL-UHFFFAOYSA-N 361.430 3.567 0 40 FHAB O=C(Nc1nc2ccccc2s1)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 13549868 KVFQBGIKULVNFF-SUMWQHHRSA-N 367.455 3.505 0 40 FHAB Cc1ccc(CN2Cc3nnn(C)c3[C@H](COCc3ccccc3)C2)s1 96060806 LZTOXIRCGMVWOK-KRWDZBQOSA-N 368.506 3.501 0 40 FHAB O=C(COc1ccccc1-c1ccccc1)NCc1ccc2c(c1)OCO2 6128634 FVIQJCNRPZZSTN-UHFFFAOYSA-N 361.397 3.778 0 40 FHAB C[C@@H](NC(=O)CCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 13897500 VNXMZXXVAPVHFH-NOCBQHASSA-N 354.494 3.729 0 40 FHAB CC(=O)NCCc1nc2ccccc2n1CCCCOc1ccccc1C 4385689 HUGSWQJGDRYZHB-UHFFFAOYSA-N 365.477 3.883 0 40 FHAB CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccccc1Cl 4321670 WIGUDZOANXRNPN-IINYFYTJSA-N 364.854 3.552 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(-c2nnco2)cc1 5208831 UOTDEEGMMOGBKG-NSHDSACASA-N 373.796 3.805 0 40 FHAB CCC[C@H](NC(=O)Cn1cnc2sc(C)c(C)c2c1=O)c1ccccc1 5319562 LJQMORIWMSMEFN-INIZCTEOSA-N 369.490 3.732 0 40 FHAB COc1ccc(OC)c(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c1 14240869 PFCRQIBTVYDQJH-IBGZPJMESA-N 366.417 3.607 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)CCSc1ccc(F)cc1 6560107 XPWQPBAUTAXMQO-UHFFFAOYSA-N 362.426 3.914 0 40 FHAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1F 9368638 RLTTXYKYFLBMJH-LIRRHRJNSA-N 356.397 3.580 0 40 FHAB CCOc1ccc(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@@H]32)cc1 5525133 UDJCJDFCXCKPIX-CTNGQTDRSA-N 350.462 3.842 0 40 FHAB CCN(C(=O)CSc1nncn1-c1ccccc1)c1ccc(F)cc1 5689072 ZJCSPGDDPNUPQK-UHFFFAOYSA-N 356.426 3.552 0 40 FHAB Cc1ccccc1OCCC(=O)Nc1nnc(Cc2ccccc2)s1 6790691 RNVGXBJOVOFZTA-UHFFFAOYSA-N 353.447 3.845 0 40 FHAB CC(=O)Nc1ccc(CC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1 9479411 UALQCPNIBIHPAI-UHFFFAOYSA-N 364.367 3.565 0 40 FHAB COc1ccccc1[C@H]1C[C@@H](c2ccc(C)cc2)N(C(C)=O)c2ncnn21 4816921 HHITXUBJJKDRFG-RBUKOAKNSA-N 362.433 3.682 0 40 FHAB C[C@H](Sc1nncn1-c1ccccc1F)C(=O)Nc1ccccc1F 4890657 JKZUMKBSQWAWFC-NSHDSACASA-N 360.389 3.665 0 40 FHAB Cc1ccc(S(=O)(=O)CCC(=O)N2CCC[C@H]2c2cccs2)cc1 6849994 PHCKHEXRMKBDFZ-INIZCTEOSA-N 363.504 3.584 0 40 FHAB Cc1cccc2sc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)nc12 4975524 BGMRZKILUREMDD-ZDUSSCGKSA-N 351.431 3.596 0 40 FHAB COc1ccc(CCNS(=O)(=O)c2cccc(Cl)c2Cl)cc1 7374885 WZCDXLBVHAMQON-UHFFFAOYSA-N 360.262 3.523 0 40 FHAB O=C(NCc1cccs1)c1ccc(-n2nncc2-c2ccccc2)cc1 7787131 QBSDFQYJHAODKA-UHFFFAOYSA-N 360.442 3.926 0 40 FHAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cccc3ccccc23)cc1 7871988 WFSFRWSKSDFVAW-UHFFFAOYSA-N 368.458 3.878 0 40 FHAB Cc1ccccc1CN(C)c1cnn(Cc2ccccc2)c(=O)c1Cl 68837973 RQQLLBWZYOJCFD-UHFFFAOYSA-N 353.853 3.890 0 40 FHAB CCN(CC)Cc1ccc(CNC(=O)CCC(=O)c2cccs2)cc1 16779866 MSSFYKXPMYEZLY-UHFFFAOYSA-N 358.507 3.869 0 40 FHAB C[C@@H](Sc1nnc(-c2ccncc2)o1)C(=O)c1c[nH]c2ccccc12 9691565 NYIPVYWJJLZCKC-LLVKDONJSA-N 350.403 3.976 0 40 FHAB CCN(Cc1ccccn1)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 84441386 YFUIVEDOMZBLNO-QGZVFWFLSA-N 372.900 3.936 0 40 FHAB CCc1ccc(Cn2nccc2NC(=O)c2ccc(C(=O)OC)cc2)cc1 21599558 JYHBGADYDZXULT-UHFFFAOYSA-N 363.417 3.533 0 40 FHAB O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccccc1C(=O)O 408619807 HSVSZPOKZOXABD-UHFFFAOYSA-N 372.490 3.804 0 40 FHAB O=C(NC[C@@H]1CCc2cccnc21)c1cc(-n2cccc2)ccc1Cl 1557234160 UFHRZWNWFYNALV-HNNXBMFYSA-N 351.837 3.986 0 40 FHAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)c1 408681156 PQAACTXULORFDJ-KRWDZBQOSA-N 366.461 3.945 0 40 FHAB Cc1ccccc1-n1cccc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O 409238720 BJBGMYNYVFNVBJ-XMHGGMMESA-N 357.413 3.879 0 40 FHAB C[C@H](NC(=O)c1cncc(C(F)(F)F)c1)c1noc(-c2ccccc2)n1 520279855 AQTOTFHGBCGAIO-JTQLQIEISA-N 362.311 3.641 0 40 FHAB Cc1cc2nc(C3CCN(CC(=O)N4CCC[C@H](C)C4)CC3)[nH]c2cc1C 35292237 JGZMVDRENKPYBT-HNNXBMFYSA-N 368.525 3.618 0 40 FHAB COc1coc(C(=O)N[C@H]2CCCc3c2[nH]c2c(Cl)cccc32)cc1=O 524733775 OCDQOCQYVYSBJL-ZDUSSCGKSA-N 372.808 3.591 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(NCC(C)C)nc2)cc1 72213324 XVXPWZRVDFQIKS-IBGZPJMESA-N 373.522 3.984 0 40 FHAB COc1cccc(-c2noc([C@@H]3CCN(Cc4ccccc4F)C3)n2)c1 72369853 RWBGZLATOQLGJR-MRXNPFEDSA-N 353.397 3.874 0 40 FHAB CCn1nc(C)c(CN(C)C(=O)COc2ccc3ccccc3c2)c1C 32647692 PQZWRGRQSGJFEQ-UHFFFAOYSA-N 351.450 3.710 0 40 FHAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccccc2OC)c(C)c1 219560417 IZBMNSCYIJUPGE-QGZVFWFLSA-N 371.433 3.976 0 40 FHAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1nc(-c2ccc(C)cc2)no1 219315486 VRBHGLNQDVNLTM-QGZVFWFLSA-N 365.433 3.827 0 40 FHAB Cc1cccc(Cc2cccc([C@H]3CCCN(C(=O)c4ccn(C)n4)C3)n2)c1 72349922 YPXWTTGKWBLRNM-IBGZPJMESA-N 374.488 3.734 0 40 FHAB O=C(CCc1ccco1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 40159527 JOXJXCXHQOBTTE-UHFFFAOYSA-N 352.356 3.580 0 40 FHAB CCc1cc(N[C@H](C)[C@H](O)c2ccc(F)cc2)nc(-c2ccncc2)n1 78620185 QZKIQZKVXDHINO-YJYMSZOUSA-N 352.413 3.774 0 40 FHAB C[C@H](N[C@H](C)C(=O)NCc1ccccc1)c1ccccc1Br 40161193 VYDVINSLTKCAEF-UONOGXRCSA-N 361.283 3.805 0 40 FHAB CC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)c1ccc(OC)c(OC)c1 225609092 VCEIPEOZGGTWMJ-MRXNPFEDSA-N 367.442 3.581 0 40 FHAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCc1ccccc1 225294205 UTJZQOGKEFVXLS-ZHZULCJRSA-N 360.413 3.675 0 40 FHAB CN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1cccs1 225137788 SETDCRSDOLKIFY-UHFFFAOYSA-N 366.689 3.989 0 40 FHAB Cn1c(=O)sc2cc(NC(=O)CSCc3ccccc3F)ccc21 225065826 UQMUCFICPWNIGE-UHFFFAOYSA-N 362.451 3.611 0 40 FHAB CCOC(=O)[C@@H]1CC(=O)N(c2ccccc2-c2nc3ccccc3s2)C1 45886910 HFOWFSPWAGZYMR-CYBMUJFWSA-N 366.442 3.879 0 40 FHAB O=C(Cc1ccccc1Cl)NCc1nc(-c2ccc(Cl)cc2)no1 225442429 AEFFQYRLEAQLMX-UHFFFAOYSA-N 362.216 3.902 0 40 FHAB COc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc(Cl)c1OCC(C)C 48354044 OOQQSFTVYOSDKL-STQMWFEESA-N 355.862 3.633 0 40 FHAB Cc1ccc(-n2cnc3nc(N4CCC(C)CC4)nc(O)c3c2=S)cc1 40385708 GMNKWPLECCTGGE-UHFFFAOYSA-N 367.478 3.795 0 40 FHAB Cc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc3ccccc3c2)cc1C 225044289 IPGXDWPAQNTSMQ-UHFFFAOYSA-N 369.442 3.737 0 40 FHAB Cc1ccc(OCCNC(=O)COc2cccc3c2CCCC3)c(C)c1 225168141 MOGHSAQKKHRABP-UHFFFAOYSA-N 353.462 3.756 0 40 FHAB CCOC[C@H]1CN(Cc2ccncc2)Cc2cnn(CC3CCCC3)c21 96198448 QKIHVJZSDSSZMX-HXUWFJFHSA-N 354.498 3.604 0 40 FHAB CC(=O)Cc1nsc(NC(=O)c2ccc(-c3ccccc3Cl)n2C)n1 96306238 AQOCJIMHTHVOOS-UHFFFAOYSA-N 374.853 3.581 0 40 FHAB Cc1nc(C(=O)NCc2cc3ccccc3o2)nn1-c1ccc(Cl)cc1 97359157 CVDWQHXSWHFFHF-UHFFFAOYSA-N 366.808 3.905 0 40 FHAB O=C1CC[C@@]2(CCCN(Cc3ccsc3)CC2)N1Cc1cccnc1 96218011 FEGQYWCLZVGNFL-HXUWFJFHSA-N 355.507 3.690 0 40 FHAB Cc1ccc(CN2CCC3(CC2)C(=O)N(C)C[C@@H]3c2ccccc2)s1 96100287 FXKVEMRSBKBBOO-LJQANCHMSA-N 354.519 3.895 0 40 FHAB Cn1cccc1C(=O)N1CCCC[C@@H]1c1nnc(-c2ccccc2F)o1 583622112 PDDJGDQCULMSGV-OAHLLOKOSA-N 354.385 3.582 0 40 FHAB Cc1cc(-c2nnc3sc(-c4cccc(C(F)(F)F)c4)nn23)n(C)n1 95472405 DXDFQQZREZHIAT-UHFFFAOYSA-N 364.356 3.581 0 40 FHAB O=C1NCCc2cc(OCc3nc4cc(C(F)(F)F)ccc4o3)ccc21 585084806 LNMPHTLFTXMCRU-UHFFFAOYSA-N 362.307 3.712 0 40 FHAB Cc1sc2nc(-c3ccc(N4CCCNC4=O)cc3)nc(O)c2c1C 585138596 KJOGXTLJCQSZKC-UHFFFAOYSA-N 354.435 3.600 0 40 FHAB CC(C)(C)n1cc(CN2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)nn1 373812230 KWJBTCADXDKCEJ-CYBMUJFWSA-N 357.433 3.693 0 40 FHAB COc1cc2c3c(c1)[C@@](O)([C@@H]1CCCCCC1=O)C(=O)N3C(C)(C)C=C2C 1740816836 XGHJEPIWKNJMID-ZHRRBRCNSA-N 369.461 3.574 0 40 FHAB CCNC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1 109296011 YJRDZKWCMNTABI-UHFFFAOYSA-N 362.227 3.843 0 40 FHAB COCCn1ncc2ccc(NCc3cc4c(cc3OC)C[C@@H](C)O4)cc21 679114864 DVBLTNSIGLLSGF-CQSZACIVSA-N 367.449 3.627 0 40 FHAB O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCCN1c1nc2ccccc2o1 96122577 XVHVWCVCWOZAOI-IBGZPJMESA-N 374.444 3.637 0 40 FHAB O=C(NCC[C@H]1CCc2ccccc2N1)c1cnn2cccc(Cl)c12 662583524 KANAJXGOORKFDZ-CQSZACIVSA-N 354.841 3.535 0 40 FHAB COc1ccc(NC(=O)c2ccc(N3CCc4ccccc4C3)cc2)cn1 58407812 ASNDBMULLFIEPY-UHFFFAOYSA-N 359.429 3.905 0 40 FHAB Cc1ccc(S(=O)(=O)NCCc2nc3cc(F)ccc3s2)c(C)c1 84142049 UKQNZLGDMGPKOJ-UHFFFAOYSA-N 364.467 3.573 0 40 FHAB CSc1nc(Cl)cc(N2CCN(C/C=C/c3ccccc3)CC2)n1 5721412 QEDQVWQBTWEHKA-VMPITWQZSA-N 360.914 3.687 0 40 FHAB O=C(NC(=S)Nc1ccccc1C(=O)O)c1ccc(Cl)c(Cl)c1 5899442 WOFHUUROFRRHEA-UHFFFAOYSA-N 369.229 3.818 0 40 FHAB Cc1onc(-c2ccncc2)c1C(=O)Nc1cccc(-c2csnn2)c1 12201992 BYVYBOUWLGTUTA-UHFFFAOYSA-N 363.402 3.816 0 40 FHAB Cc1cccc(C2(O)CCN(C(=O)c3c(C)oc4ccc(O)cc34)CC2)c1 12325272 VRICJMORDOGSFY-UHFFFAOYSA-N 365.429 3.879 0 40 FHAB O=C(NC1(c2ccc(Cl)cc2)CCC1)c1ccc(-n2cnnc2)cc1 12361849 WAKMWULFQYRUDV-UHFFFAOYSA-N 352.825 3.730 0 40 FHAB COc1ccc(C(=O)N[C@H](C)c2nc(-c3ccccc3Cl)no2)cc1 13494868 NBNMIJVWUWLRRE-LLVKDONJSA-N 357.797 3.890 0 40 FHAB CCOC(=O)Cn1cc(C(=O)c2ccc(F)cc2)c2ccnc(Cl)c21 14001449 KXMGAJVJKDIUJZ-UHFFFAOYSA-N 360.772 3.623 0 40 FHAB COc1ccc(C2=NN(c3nc(C)cc(=O)[nH]3)[C@H](c3cccs3)C2)cc1 16283581 OMLGOJNHFRIVNF-INIZCTEOSA-N 366.446 3.504 0 40 FHAB Cc1ccc(-c2nnc([C@@H]3CCCN3C(=O)Cc3c(C)noc3C)o2)s1 19217685 DRIFHZRUXLAGOU-AWEZNQCLSA-N 372.450 3.618 0 40 FHAB CCCc1cc(C(=O)N2CCC[C@@H](c3nnc(-c4ccsc4)o3)C2)no1 19525319 CJRHXIBMCLJUNO-GFCCVEGCSA-N 372.450 3.758 0 40 FHAB Cc1ccc(C)c([C@@H]2CCCN2Cc2cnc(N3CCOCC3)s2)c1 19715691 MPJDCGZFGLEPII-IBGZPJMESA-N 357.523 3.934 0 40 FHAB CCCN1C(=O)S/C(=C/c2cccn2-c2cccc(C(=O)O)c2)C1=O 6318185 UOCMGCYMTJLZCC-RVDMUPIBSA-N 356.403 3.622 0 40 FHAB COc1c2c(cc3c1[C@H](CC(=O)c1ccc(Cl)cc1)N(C)CC3)OCO2 19942984 MBYDROYCUIVSIZ-HNNXBMFYSA-N 373.836 3.879 0 40 FHAB biogenic O=C(NCCSc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 18214446 CVEOPCMPFMNNSV-CQSZACIVSA-N 374.893 3.601 0 40 FHAB O=C(COc1ccc(F)c(Cl)c1)Nc1ccccc1N1CCCC1=O 10788969 JSACBKXUYAVLGJ-UHFFFAOYSA-N 362.788 3.623 0 40 FHAB Cc1nc(C2CC2)nc(N2CCN(Cc3csc(C4CC4)n3)CC2)c1C 1888857110 NYQKFJUOKXDYLJ-UHFFFAOYSA-N 369.538 3.627 0 40 FHAB O=C(/C=C/c1cccs1)N1CCc2ncnc(-c3ccsc3)c2C1 1565555776 HEUPOPIAWYKUHX-ONEGZZNKSA-N 353.472 3.865 0 40 FHAB COc1ccc2c(c1OC)C(=O)N(c1ccc(OC(F)(F)F)cc1)C2 1102721 OZUMCXIPIMYOSF-UHFFFAOYSA-N 353.296 3.763 0 40 FHAB COc1ccccc1NC(=O)CSc1nccn1-c1ccc(F)cc1 2723650 AAZFPCKJAGGONW-UHFFFAOYSA-N 357.410 3.751 0 40 FHAB O=C(CSc1ccc(-c2ccco2)nn1)N1CCCc2ccccc21 4357854 WMGBAMYQGNWMFZ-UHFFFAOYSA-N 351.431 3.808 0 40 FHAB COc1ccc(C(=O)NCCSc2ncc(-c3ccc(C)cc3)[nH]2)cc1 4315409 NAPIIFNKPHOHKR-UHFFFAOYSA-N 367.474 3.916 0 40 FHAB COc1cccc(C(=O)Nc2nnc(-c3cc(C)ccc3C)o2)c1OC 4479362 KZOBCFBJRBNGBQ-UHFFFAOYSA-N 353.378 3.623 0 40 FHAB CCOc1ccc(NC(=O)NC[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 9040444 JNFIMLRKOMXGNW-MRXNPFEDSA-N 367.449 3.568 0 40 FHAB COc1ccc(N2C[C@H](CNC(=O)Nc3ccccc3Cl)CC2=O)cc1 9039267 AVLHQEJMIZVNNT-ZDUSSCGKSA-N 373.840 3.523 0 40 FHAB CCn1c(=O)c(C(=O)Nc2cccc(Cl)c2C)c(O)c2ccccc21 12414635 YQAKAYRQXUVSEZ-UHFFFAOYSA-N 356.809 3.941 0 40 FHAB CC(C)NC(=O)C1(Nc2cccc(F)c2)CCN(CC2CCCC2)CC1 2055738807 SACFMIZNNVCTHM-UHFFFAOYSA-N 361.505 3.787 0 40 FHAB O=c1c2ccccc2ncn1CC1CCN(Cc2cccc(Cl)c2)CC1 1775972987 INMMUYSSVBBCMD-UHFFFAOYSA-N 367.880 3.962 0 40 FHAB COc1ccc(C)cc1S(=O)(=O)N1CC2(CC(c3ccccc3)C2)C1 1775970128 CJBBHRFLQDXCMQ-UHFFFAOYSA-N 357.475 3.572 0 40 FHAB CNc1ccc(-c2noc([C@@H]3CCCN3Cc3c[nH]c4ccccc34)n2)cn1 35426120 NFAWYMZRRLSCNV-SFHVURJKSA-N 374.448 3.992 0 40 FHAB biogenic,in-vitro COCc1cccc(NC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)c1 40133068 GQNJEURNUMZMQD-UHFFFAOYSA-N 367.424 3.956 0 40 FHAB CSc1n[nH]c2nc3c(c(=O)n12)C1(CCCCC1)Cc1ccccc1-3 100492900 BUWMQTXKECMREG-UHFFFAOYSA-N 352.463 3.565 0 40 FHAB Cc1ccc([C@H]2C=C(c3ccc(Br)cc3)Nc3nnnn32)cc1 101042203 AHMNUYLUXAASRI-MRXNPFEDSA-N 368.238 3.800 0 40 FHAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(-c4ccccc4)cc3)cc2o1 41125067 GZHXWPKCKIZGPL-UHFFFAOYSA-N 366.398 3.589 0 40 FHAB C[C@@H]1CCC[C@@H](C)C12NC(=O)N(CN(C)[C@@H]1CCCc3ccccc31)C2=O 32909264 PRVXTTSOBJFNMF-GPMSIDNRSA-N 369.509 3.700 0 40 FHAB CC(=O)NCCC(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 32976245 VTMLAVCONBXTOL-UHFFFAOYSA-N 365.458 3.942 0 40 FHAB C[C@H](C(=O)Nc1ccccc1Cl)N1CCN(Cc2cccs2)CC1 22785784 GPVGUELSPWTPMS-CQSZACIVSA-N 363.914 3.546 0 40 FHAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2O)o1 850358 PCBGJXBQKOBEPD-UHFFFAOYSA-N 355.419 3.735 0 40 FHAB CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nc2ccccc21 885370 VUCUIKXWFGHVMF-UHFFFAOYSA-N 371.462 3.804 0 40 FHAB COc1ccc(N2C(=O)c3ccc(Oc4cccc(N)c4)cc3C2=O)cc1 1051215 DMQHLILOJYHQJZ-UHFFFAOYSA-N 360.369 3.870 0 40 FHAB Cc1cccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)c2ccco2)c1 1353866 XEXCLKQJOFAWNI-UHFFFAOYSA-N 366.392 3.690 0 40 FHAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2C(=O)NC1CCCCC1)c1ccccc1 1377959 HENKLOZAHOILCD-PMACEKPBSA-N 369.509 3.844 0 40 FHAB CSc1nc2nc(-c3c(Cl)c(Cl)cc4c3OCCO4)ccn2n1 1384409 PATBVBKFXOCMOB-UHFFFAOYSA-N 369.233 3.591 0 40 FHAB CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3ccccc3F)oc2c1 1509167 RJOQNPIEZOCMKO-ATJXCDBQSA-N 353.397 3.749 0 40 FHAB O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(F)cc1 1909287 MNVMZJMNHZGTQD-UHFFFAOYSA-N 354.381 3.621 0 40 FHAB CCN(CC)CCC[C@H](C)NC(=O)Nc1cc(OC)cc2cccnc12 2042664 PCCURHYZQJRWEO-HNNXBMFYSA-N 358.486 3.875 0 40 FHAB O=C(CCCCCCCC(=O)Nc1nccs1)Nc1nccs1 2062058 NDCCAQOVCORPGN-UHFFFAOYSA-N 352.485 3.908 0 40 FHAB Cc1sc2c(c1C)c(=O)nc1n2Cc2ccccc2C12CCOCC2 3187589 CDKGMKPDZQDROL-UHFFFAOYSA-N 352.459 3.533 0 40 FHAB O=c1c2ccccc2nnn1CSc1ncc(C(F)(F)F)cc1Cl 3303204 ZPZVYWVSFLEKPN-UHFFFAOYSA-N 372.759 3.609 0 40 FHAB O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)NCc1cccs1 3311456 TVZWXCZXKSPBKR-UHFFFAOYSA-N 369.417 3.813 0 40 FHAB COc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)c(OC)c1OC 3346993 DOTPPCJHPITHEZ-UHFFFAOYSA-N 362.382 3.714 0 40 FHAB O=C(CCSc1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1 3421361 OAWVBDBMXFVUEM-UHFFFAOYSA-N 360.454 3.783 0 40 FHAB Cc1cccc(C)c1NC(=S)NCC(=O)Nc1ccc(F)c(F)c1F 3449243 OSBLBIDWBFSTFX-UHFFFAOYSA-N 367.396 3.646 0 40 FHAB CCCN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)cc2)NC1=S 3662799 UZAJHXQTGHUYQS-PDGQHHTCSA-N 370.449 3.872 0 40 FHAB CCCCCCn1c(SCC(=O)NC(=O)OCC)nc2ccccc21 4246472 KIFFVYPFQISYLU-UHFFFAOYSA-N 363.483 3.981 0 40 FHAB CCCSc1nnc2n(-c3cccc(OC)c3)c(=O)c3ccccc3n12 4269262 DZMJKTMRPUPXLC-UHFFFAOYSA-N 366.446 3.544 0 40 FHAB CCOC(=O)[C@H](C)Oc1ccc(NC(=O)C(Cl)=C(Cl)Cl)cc1 4288306 AYUDEACANRFKLX-QMMMGPOBSA-N 366.628 3.841 0 40 FHAB Cc1ccc2c(c1)[C@H]1C(=C(N)O2)C(N)=Cc2ccc(Br)cc21 4482315 PTWNGIPWLPSEGE-INIZCTEOSA-N 355.235 3.765 0 40 FHAB CC(=O)n1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)c(-c2ccccc2)n1 4578105 RCUHBYRTLNNKKQ-UNOMPAQXSA-N 371.396 3.863 0 40 FHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc2nc(C)sc2c1 4585721 ZKZWFUFNACFCQA-UHFFFAOYSA-N 360.460 3.651 0 40 FHAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccc(F)cc2)o1 4602326 XVJPMZROQHFBSQ-UHFFFAOYSA-N 373.409 3.924 0 40 FHAB COc1ccccc1NC(=O)C1=C(C)Nc2nc(SC)nn2[C@@H]1C(C)C 4933014 FVYIOPLCOPPBNI-OAHLLOKOSA-N 373.482 3.544 0 40 FHAB Cc1csc2nc(CSc3nccn3-c3cccc(F)c3)cc(=O)n12 5263616 ZAHMYALGBMAHKI-UHFFFAOYSA-N 372.450 3.682 0 40 FHAB COc1cccc(-c2nc(CCNC(=O)Cc3ccc(F)cc3)cs2)c1 5483402 AMBATVUWGAKMLO-UHFFFAOYSA-N 370.449 3.859 0 40 FHAB Cc1cccc(N2CCN(CC(=O)Nc3cc(F)ccc3C)C[C@H]2C)c1 5751599 OQLCALOGKPWBHI-QGZVFWFLSA-N 355.457 3.592 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)/C=C/c1ccc(Cl)cc1 6065210 SDLLHSKJXQDGPG-BMGYJQCNSA-N 355.821 3.874 0 40 FHAB CC(C)OCCCn1c(=O)c2ccccc2n2c(-c3cccs3)nnc12 6781282 BNSRUARGJKMYDY-UHFFFAOYSA-N 368.462 3.588 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(Br)cc2)cc1 7218211 MWJHXIKFOHQMGJ-UHFFFAOYSA-N 354.269 3.578 0 40 FHAB O=S(=O)(Nc1ccc(Br)cc1Cl)c1cccs1 7381882 FMRNEZNPVLAJIH-UHFFFAOYSA-N 352.662 3.965 0 40 FHAB CN(Cc1ccccc1F)C(=O)COC(=O)c1ccc2c(c1)CCCC2 7694943 KJYYPUHARCBGBM-UHFFFAOYSA-N 355.409 3.520 0 40 FHAB COc1ccc(CCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 7724521 UCPHLTYVHSKGTA-UHFFFAOYSA-N 372.896 3.938 0 40 FHAB O=C(c1sc(-c2ccccc2)nc1-c1ccccc1)N1CCOCC1 7945933 DYVVQWPDVGJSKS-UHFFFAOYSA-N 350.443 3.950 0 40 FHAB COc1ccccc1CCNc1cnn(-c2ccccc2)c(=O)c1Cl 7981343 WQYSMIGDOIPXBU-UHFFFAOYSA-N 355.825 3.549 0 40 FHAB COc1ccccc1CNC(=O)Cc1csc(-c2ccc(F)cc2)n1 8277170 TYWTUSOOTGKICK-UHFFFAOYSA-N 356.422 3.817 0 40 FHAB O=C(NCCc1cccs1)c1cn(-c2ccccc2)nc1-c1cccnc1 8985177 FPGUSOFMVOPSES-UHFFFAOYSA-N 374.469 3.968 0 40 FHAB CC(=O)N1CCc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2C1 9034824 IRDGTCVJKBVQKA-UHFFFAOYSA-N 362.351 3.862 0 40 FHAB C[C@H]1C[C@@H](Sc2nnc(-c3cc4c(s3)CC[C@@H](C)C4)o2)C(=O)O1 9448920 CZONKZLMUDKTHL-VYUIOLGVSA-N 350.465 3.719 0 40 FHAB Cc1cc(C)nc(NC(=O)NCCCSc2nc3ccccc3o2)n1 10220873 SKUCHIFXWMHRKB-UHFFFAOYSA-N 357.439 3.539 0 40 FHAB COc1ccc(Oc2cc(NC(=O)c3cnccn3)ccc2OC)cc1 11292333 FUWAEXKHJLDBNO-UHFFFAOYSA-N 351.362 3.538 0 40 FHAB CCS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 11381714 BSUDAUHGJDYDOO-GFCCVEGCSA-N 367.854 3.540 0 40 FHAB Cn1c(Cc2ccccc2)nnc1SCc1nc(-c2ccccc2)no1 11975519 FVJKTFKIQJKEDT-UHFFFAOYSA-N 363.446 3.748 0 40 FHAB COc1ccc(-c2nsc(NC(=O)COc3cc(C)cc(C)c3)n2)cc1 12111392 GZMZNYQCHSKSDV-UHFFFAOYSA-N 369.446 3.848 0 40 FHAB CCOc1ccc([C@@H]2CCCN2C(=O)Cc2cn3ccsc3n2)cc1 12548248 OWHPBSLTYLLDTJ-KRWDZBQOSA-N 355.463 3.701 0 40 FHAB CCOc1cc2c(cc1NS(=O)(=O)c1ccc(C)cc1C)O[C@H](C)C2 12560638 IJYAZKJNWYCPQL-CQSZACIVSA-N 361.463 3.826 0 40 FHAB CCc1cccc(N[C@@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 12633699 XDIOWZFHFQTLKF-DFLMZXFUSA-N 369.509 3.844 0 40 FHAB O=C1c2ccccc2-c2nn(C[C@H](O)COc3ccccc3)c3cccc1c23 12898536 DDPXNKLMRPJPHW-HNNXBMFYSA-N 370.408 3.688 0 40 FHAB O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1cc2ccccc2c(=O)[nH]1 12938852 IAXZXTDATYECBN-UHFFFAOYSA-N 364.332 3.679 0 40 FHAB COc1cc([C@@H]2Oc3c(OC)cc([C@H](OC)[C@@H](C)O)cc3[C@@H]2C)ccc1O 13340386 DHRVKFSLKMAPEL-OCBHBYCGSA-N 374.433 3.715 0 40 FHAB endogenous,in-man CC(C)(CNc1nc(-c2ccccc2)c2ccccc2n1)N1CCOCC1 14112030 HIYNCYSABCGWAY-UHFFFAOYSA-N 362.477 3.820 0 40 FHAB COc1ccccc1-c1nn(Cc2ccccc2)cc1/C=C/C(=O)N1CCC1 14135234 PRZXNJMKZRVJNK-OUKQBFOZSA-N 373.456 3.853 0 40 FHAB C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc2c(c1)OCO2 14210762 HUEFSGVENYEBDU-VIFPVBQESA-N 374.245 3.762 0 40 FHAB Cc1ccc2nc3c(cc2c1)CCN3S(=O)(=O)c1ccc(F)cc1C 15841887 KAMLEXHSLFMLDY-UHFFFAOYSA-N 356.422 3.742 0 40 FHAB CCOC(=O)COC(=O)c1oc2ccccc2c1COc1ccccc1 16222328 OJBCYTKFZDPMNH-UHFFFAOYSA-N 354.358 3.732 0 40 FHAB CC(C)(C)c1[nH]c2ncccc2c1CN1CCC[C@@H](CN2CCCC2=O)C1 19083450 ONOAONLLJCRSNA-MRXNPFEDSA-N 368.525 3.695 0 40 FHAB O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1n[nH]cc1-c1ccncc1 19333269 WPAVIKMOGJBJMN-SFHVURJKSA-N 350.397 3.517 0 40 FHAB CCn1nc(C)c([C@H](C)NC(=O)c2cc(-c3ccccc3F)no2)c1C 19523764 LFFHMOVIRGORGL-NSHDSACASA-N 356.401 3.805 0 40 FHAB CCN1CCC[C@@H]1CN(Cc1ccccn1)Cc1c[nH]nc1C(C)(C)C 19527153 QBHGCPOOLWIGCX-LJQANCHMSA-N 355.530 3.589 0 40 FHAB COC(C)(C)C(=O)N1CCC(c2ccc(Cc3ccccc3F)cn2)CC1 19687384 SFAWWCUCIASPJO-UHFFFAOYSA-N 370.468 3.943 0 40 FHAB Nc1ccc2nn(-c3cccc(C(F)(F)F)c3)nc2c1Br 20134613 FQIFCNKHFNISEW-UHFFFAOYSA-N 357.133 3.784 0 40 FHAB COc1ccc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1OC 20143205 OLUIXIJCRAQWAA-UHFFFAOYSA-N 370.188 3.961 0 40 FHAB O=C(O)c1ccccc1OCc1ccc(I)cc1 20447618 ZNZMCLHXDVDMON-UHFFFAOYSA-N 354.143 3.568 0 40 FHAB O=S(=O)(NCCc1ccccc1)c1ccc(Oc2ccccc2)cc1 20453074 YOKBSFPZKWTDAW-UHFFFAOYSA-N 353.443 4.000 0 40 FHAB COc1ccc(OC)c(CNC(=O)c2cc(C)n(Cc3ccco3)c2C)c1 27502891 JKDOKVFKMXSERJ-UHFFFAOYSA-N 368.433 3.693 0 40 FHAB COc1ccc(NC(=O)c2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)cc1 28286923 VAAXQQRLLWPCGZ-LBPRGKRZSA-N 350.374 3.926 0 40 FHAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 28289227 QWCPJTGXWGLKPE-CQSZACIVSA-N 368.433 3.855 0 40 FHAB O=C(CSCc1cccc(Cl)c1)NCCOc1ccc(F)cc1 30132352 JJBOACHBLIJSME-UHFFFAOYSA-N 353.846 3.908 0 40 FHAB CN(CCc1ccccc1)Cc1ccccc1I 31946982 INMSLMBPUUXSSS-UHFFFAOYSA-N 351.231 3.966 0 40 FHAB Cc1ccc(C)c(OCC(=O)NCc2cccc(CN3CCCC3)c2)c1 32462292 FNHAGAOCZVWLSR-UHFFFAOYSA-N 352.478 3.594 0 40 FHAB CNC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 32903269 QHGFPOYMFJIGSW-GFCCVEGCSA-N 361.829 3.806 0 40 FHAB CCn1/c(=N/C(=O)c2ccc(-n3cc[nH]c3=S)cc2)[nH]c2ccccc21 32937175 MKKVZQQAOHRPCT-UHFFFAOYSA-N 363.446 3.579 0 40 FHAB Cc1nc(OCC(=O)Nc2cccc(Br)c2)c2ccccc2n1 33141669 MDZWSNBXUPLWAH-UHFFFAOYSA-N 372.222 3.718 0 40 FHAB COc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCCCC1 33566923 ZLTOALHNXNRBRS-UHFFFAOYSA-N 352.434 3.964 0 40 FHAB CCn1ncc(/C=C2\Sc3nnc(C)n3N=C2c2ccccc2)c1C 35667653 WAGAFNRBYYUKFD-YBEGLDIGSA-N 350.451 3.511 0 40 FHAB CC(C)CC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)o1 39762245 IVALANIVLLGLGZ-UHFFFAOYSA-N 364.405 3.974 0 40 FHAB Cc1cc(C)cc(O[C@H](C)C(=O)NCc2ccc(CN3CCCC3)cc2)c1 44873141 VQXWYOLCEDMIAA-LJQANCHMSA-N 366.505 3.983 0 40 FHAB Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1N1CCCC1=O 44900861 QLVFCBZWCUMDAD-UHFFFAOYSA-N 364.854 3.576 0 40 FHAB Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)NCc1cccnc1 47717025 NMQGVEMCHNSHNG-UHFFFAOYSA-N 366.465 3.774 0 40 FHAB C[C@H]1CCCN(CCCNC(=O)N[C@@H]2CCSc3ccc(F)cc32)C1 48246878 LTXRHYVSJPSIFY-WMLDXEAASA-N 365.518 3.784 0 40 FHAB Cc1nc(C2(NC(=O)Cc3ccc4c(c3)CCCC4)CCCCC2)no1 48341928 OFVUKIRSEDWMDY-UHFFFAOYSA-N 353.466 3.775 0 40 FHAB CC(=O)N(c1nnc(S[C@@H](C)c2nc(C(C)(C)C)no2)s1)C1CC1 48362021 SMXPSNBUIZKWCF-QMMMGPOBSA-N 367.500 3.587 0 40 FHAB O=C(Nc1nnc(-c2ccsc2)s1)N1CCc2ccc(O)cc2C1 52495824 AKGDJHKLUSCQHS-UHFFFAOYSA-N 358.448 3.562 0 40 FHAB CC(C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(CC(=O)N(C)C)cc1 56171413 ZPWDDWKLNFHPEA-INIZCTEOSA-N 367.493 3.880 0 40 FHAB O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)C(Cl)(Cl)Cl 57333392 ZPYVNQFLQABUPA-UHFFFAOYSA-N 370.623 3.876 0 40 FHAB CCCn1ncc(CN(Cc2ccccc2OC)C[C@H]2CCCO2)c1C 57811371 CKCQXANLAMIGHR-HXUWFJFHSA-N 357.498 3.791 0 40 FHAB O=C([C@H](Nc1ccc2c(c1)OCCO2)c1ccccc1)N1CCCCC1 57935273 ZCZDLIMZNAZEIR-HXUWFJFHSA-N 352.434 3.624 0 40 FHAB Cc1[nH]c2ccccc2c1CC(=O)Nc1cccc(OCCn2ccnc2)c1 58010127 VVDFRCFFMHRKFV-UHFFFAOYSA-N 374.444 3.933 0 40 FHAB COCCN(Cc1ccccn1)C(=O)Nc1ccc2oc(C3CC3)nc2c1 58203145 PJOPCHDNYKGPBY-UHFFFAOYSA-N 366.421 3.781 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)N(Cc1ccsc1)C1CC1 58208648 WKCYRUOCXYRLOM-UHFFFAOYSA-N 359.447 3.529 0 40 FHAB COc1ccccc1C(=O)Nc1ccc(-n2cnc(Cl)c2Cl)nc1 61719900 SYKLPASGYZERKS-UHFFFAOYSA-N 363.204 3.835 0 40 FHAB O=C1COc2ccc(Br)cc2CN1Cc1ccc(F)cc1 65184432 NOJTXKMJKBMDBS-UHFFFAOYSA-N 350.187 3.509 0 40 FHAB Fc1ccc(-c2nnc(Cc3nc(-c4ccc(F)c(F)c4)no3)o2)cc1 65185372 LFKSTVIMFUBDQT-UHFFFAOYSA-N 358.279 3.795 0 40 FHAB COc1ccc([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCC2)cc1O 71280374 RDWVBDHYDBRMHN-ZDUSSCGKSA-N 357.410 3.519 0 40 FHAB CCCNC(=O)c1cccc(C(=O)O[C@H](C)c2nc3ccccc3n2C)c1 72310765 GNUGTBHYKKXKLO-CQSZACIVSA-N 365.433 3.631 0 40 FHAB O=C(c1ccccc1Cn1cncn1)N1CC2(CCCC2)c2ccccc21 81578612 AHSMLGJZSFACSM-UHFFFAOYSA-N 358.445 3.799 0 40 FHAB O=C(Cc1cccc2cccnc12)NC[C@@H]1CCCCN1Cc1ccccc1 84536013 AHPIVTMQWASLSJ-QFIPXVFZSA-N 373.500 3.948 0 40 FHAB Cc1cccc2sc(N3CC(OC(=O)[C@@H](C)Oc4ccccc4)C3)nc12 85472276 OZFPFNPYWLQDDA-CQSZACIVSA-N 368.458 3.804 0 40 FHAB CCc1ccc(OCC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1 95408974 WZLFMAPFGQJNFV-NQIIRXRSSA-N 366.505 3.797 0 40 FHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1nnc2sc3ccccc3n12 102287418 RGNNLUFYIYXEMQ-FRRDWIJNSA-N 374.535 3.977 0 40 FHAB Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)n(-c2ccccn2)n1 107247419 AFFXMBKMKYAALP-HZPDHXFCSA-N 352.825 3.971 0 40 FHAB CCc1ccc(NC(=O)c2ccc(N(CC)S(=O)(=O)CC)cc2)cc1 113962894 NVEFVQXICBVPTF-UHFFFAOYSA-N 360.479 3.677 0 40 FHAB CCOc1ccccc1C(=O)OCC(=O)c1ccc(Br)cc1 115007459 ZSDIBMMEZIVPQB-UHFFFAOYSA-N 363.207 3.888 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 223226397 ZOZWSYIHVMRSBF-HXUWFJFHSA-N 370.468 3.538 0 40 FHAB CCOC(=O)c1cc(NS(=O)(=O)c2cc(C)ccc2C)ccc1Cl 223674825 FZICPXJYBTWMFC-UHFFFAOYSA-N 367.854 3.934 0 40 FHAB O=C(NCCOc1ccccc1Cl)c1ccc(CN2CCCC2)cc1 224094085 QPMUGJHKZBKGPF-UHFFFAOYSA-N 358.869 3.745 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)NCc1cccc(OC(C)C)c1 225807731 IFIDJVWKUDODKH-UHFFFAOYSA-N 369.870 3.614 0 40 FHAB CCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)cc1C(=O)OC 225834218 MDQGQJGQNGIBPX-UHFFFAOYSA-N 363.454 3.796 0 40 FHAB O=C(NC[C@@H](c1ccsc1)N1CCC1)c1ccc(OC(F)(F)F)cc1 252537431 LDTYQWHEFHUTSA-HNNXBMFYSA-N 370.396 3.824 0 40 FHAB Cc1nc(-c2cccc(C(=O)O)c2)cc([C@H]2CCN(C(=O)C(C)(C)C)C2)n1 257240893 HVPHERVZSRVDOX-INIZCTEOSA-N 367.449 3.512 0 40 FHAB CC(=O)N1CCC(Cc2nccnc2-c2cnc(CC(C)C)s2)CC1 257278166 OBCYSISLXQYVMM-UHFFFAOYSA-N 358.511 3.600 0 40 FHAB Cc1cc([C@H]2CCCCN2Cc2cn(C)cn2)nc(-c2c(C)noc2C)n1 257296928 RFAYPLRLWIQNSZ-GOSISDBHSA-N 366.469 3.518 0 40 FHAB CC(C)c1nnc2ccc(NC(=O)N3Cc4ccccc4O[C@H](C)C3)cn12 333192406 OOBQWOPFOAHNDE-CQSZACIVSA-N 365.437 3.668 0 40 FHAB Cc1cc(C)c2cc(C(=O)N3CCC[C@@](CO)(c4ccccc4)C3)[nH]c2c1 513110595 QTBMPWRSBOSROD-HSZRJFAPSA-N 362.473 3.951 0 40 FHAB Cc1ccc2oc(C(=O)N3CCC(Oc4ncccc4C)CC3)cc2n1 580151036 REXDQGRETKGUED-UHFFFAOYSA-N 351.406 3.523 0 40 FHAB CC(C)SCc1nnc2sc(-c3cncc(Br)c3)nn12 1775972265 QKOFDNAALMATRZ-UHFFFAOYSA-N 370.301 3.652 0 40 FHAB Cc1cccc(OC[C@H]2CCCN(C(=O)Cc3ccc(F)cc3F)C2)n1 1775996231 FRXBYXKYMLINET-HNNXBMFYSA-N 360.404 3.528 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC(=O)c3cc4ccccc4cc32)cc1 1508997 RLJLKWKZPCSREH-UHFFFAOYSA-N 351.427 3.930 0 40 FHAB O=C(O)c1cccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c1 991008 XROMSNNVKZCXLL-UHFFFAOYSA-N 366.398 3.951 0 40 FHAB Cc1cc(OCC(=O)NCC(=O)Nc2cccc(C)c2C)cc(C(C)C)c1 3408515 QCOAQTLCBXWRBQ-UHFFFAOYSA-N 368.477 3.869 0 40 FHAB CC(=O)N1CCc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc21 1013302 PQGYICWXTGQUIX-UHFFFAOYSA-N 366.442 3.550 0 40 FHAB Cc1nnc(SCC(=O)N2CCCC[C@@H]2C)n1-c1ccc(Cl)cc1 6969503 MKYQLEUXMKVRSX-LBPRGKRZSA-N 364.902 3.722 0 40 FHAB COC(=O)c1ccc(-c2ccc(CNCc3ccc(C(=O)O)cc3)o2)cc1 7539125 JGCDDJXNDPTSQT-UHFFFAOYSA-N 365.385 3.721 0 40 FHAB C[C@@H]1CCCN(C(=O)CSc2nc(C(F)(F)F)nc3ccccc23)C1 24967425 BXDYJQXKYSKHKI-LLVKDONJSA-N 369.412 3.999 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12581139 PFRORXYPEHRMBN-QGZVFWFLSA-N 363.417 3.588 0 40 FHAB Cc1c(C(=O)Nc2ccc(OC(F)F)c(F)c2)cnn1-c1ccccn1 55545519 YPIYONPVIOKHHH-UHFFFAOYSA-N 362.311 3.569 0 40 FHAB Cn1c(SCc2c(F)cccc2Cl)nc(C(F)(F)F)cc1=O 1400824 MNCSVLCBUUWPQG-UHFFFAOYSA-N 352.740 3.884 0 40 FHAB Cc1cc(CN2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)no1 25355267 SFDODDOAEQZGHM-UHFFFAOYSA-N 374.794 3.763 0 40 FHAB CCN(Cc1nonc1C)C(=O)c1ccc(COc2ccccc2C)o1 28236048 VIKHOLFAAQVNQH-UHFFFAOYSA-N 355.394 3.521 0 40 FHAB CC(=O)c1cccc(NC(=O)COC(=O)Cc2cccc3ccccc23)c1 3235793 JJXGALIVGKRFLF-UHFFFAOYSA-N 361.397 3.767 0 40 FHAB CCOc1ccc(C(=O)Nc2cc(N)ccc2OC)cc1Br 57340318 NDNXVMGFBLJJMR-UHFFFAOYSA-N 365.227 3.691 0 40 FHAB CCCCOC(=O)c1ccc(OC(=O)c2ccc(OC)c(OC)c2)cc1 2069610 AHTOODPQADNBBW-UHFFFAOYSA-N 358.390 3.880 0 40 FHAB O=C(NCCc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2059707 WDDJBLFJLXVMGI-UHFFFAOYSA-N 370.758 3.656 0 40 FHAB Cc1nn2c(=O)cc(CN(C)c3ccccc3-c3ccccc3)nc2s1 58184884 MUVZIELQVAJTOW-UHFFFAOYSA-N 362.458 3.763 0 40 FHAB O=C(CCC[C@H](O)c1ccc(F)cc1)N1C(=O)OC[C@H]1c1ccccc1 22059533 AVAZNWOHQJYCEL-ROUUACIJSA-N 357.381 3.750 0 40 FHAB in-vitro CC[C@H]1CCCCN1C(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 3312648 OUHLGYLRDVPRAX-HNNXBMFYSA-N 366.461 3.671 0 40 FHAB COc1cc(/C=C2/N=C(c3ccccc3Br)OC2=O)ccc1O 58872049 VDSIZGZMHATUCY-MDWZMJQESA-N 374.190 3.508 0 40 FHAB C[C@@H]1CCN(C(=O)COC(=O)c2cc(Cl)c[nH]2)c2ccccc2S1 12889471 ZVVSUMYISOROPI-LLVKDONJSA-N 364.854 3.742 0 40 FHAB O=C(OC[C@H]1CCCO1)c1cc(-c2cccs2)nn1-c1ccccc1 24502696 VMOWOBRHYJWEKV-OAHLLOKOSA-N 354.431 3.937 0 40 FHAB CCOc1cc2c(cc1NC(=O)COc1ccc(CC)cc1)O[C@H](C)C2 12888322 ZDRUATXYRQDJFP-CQSZACIVSA-N 355.434 3.989 0 40 FHAB C[C@H](NC(=O)Nc1ccccc1N1CCc2sccc2C1)[C@@H]1CCCO1 46971868 KGVRIDWCVNBBER-KSSFIOAISA-N 371.506 4.000 0 40 FHAB CN(C)C(=O)c1ccc(NC(=O)CSc2nc3ccccc3s2)cc1 3503956 AHFPOYNFTOSVCB-UHFFFAOYSA-N 371.487 3.729 0 40 FHAB Cc1cc(NC(=O)CSc2ccc(Cl)cc2)cc(C(=O)O)c1O 20151195 DIRNPPXUYQVWOX-UHFFFAOYSA-N 351.811 3.783 0 40 FHAB COc1ccc(C(C)=O)cc1Cn1nnc(-c2ccc(C(C)C)cc2)n1 5255205 WWOVFOXJQMJCCV-UHFFFAOYSA-N 350.422 3.723 0 40 FHAB CCc1ccccc1NC(=O)CCc1c(C)nc2nc(SC)nn2c1C 5279418 CIVBQQJTEHFMSR-UHFFFAOYSA-N 369.494 3.597 0 40 FHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)c1 20494865 MUVLEIJGXJOAHN-IBGZPJMESA-N 352.478 3.728 0 40 FHAB Cc1ccc(SCCC(=O)OCC(=O)Nc2cccnc2Cl)cc1 6602170 AJFGBXOTDFAPJK-UHFFFAOYSA-N 364.854 3.708 0 40 FHAB Cc1ccc(C(=O)COC(=O)[C@@H](NC(=O)C2CCC(C)CC2)C(C)C)cc1 4704050 IAHLJOTVRCUBQK-NLPFYKDJSA-N 373.493 3.688 0 40 FHAB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)NCc3cccs3)n2)cc1 9451533 ODWVJWDJCOSAKZ-LBPRGKRZSA-N 372.519 3.893 0 40 FHAB O=S(=O)(Nc1cccc(Br)c1)c1ccc(F)c(F)c1F 7052610 MTEGPBLBFJAFPX-UHFFFAOYSA-N 366.158 3.667 0 40 FHAB CCOC(=O)[C@]1(c2cn(C)c3ccccc23)Sc2ccccc2NC1=O 7141017 XVKZZVQDPOCWCF-HXUWFJFHSA-N 366.442 3.681 0 40 FHAB CCN1C[C@H](CN(C)C(=O)c2cc3c(s2)CCC3)Oc2ccccc21 7257190 BGCJBRLKXFVTAI-HNNXBMFYSA-N 356.491 3.596 0 40 FHAB Cc1nccc(C(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc23)n1 95360853 RJKQAXJEWHYFQR-INIZCTEOSA-N 362.458 3.890 0 40 FHAB CCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1ccccc1C(F)(F)F 8323321 IRXQYACOBRCXRD-CQSZACIVSA-N 356.344 3.581 0 40 FHAB Cc1[nH]c(SCc2nnnn2-c2ccccc2)nc1Cc1ccccc1 17704234 PLYOKMWEVQTDLP-UHFFFAOYSA-N 362.462 3.577 0 40 FHAB Fc1cc(F)cc(-c2[nH]ncc2-c2nnnn2-c2ccc(Cl)cc2)c1 8702044 ITXFUIGHBCXUTC-UHFFFAOYSA-N 358.739 3.651 0 40 FHAB C[C@@H]1CCCCN1C[C@@H]1CCCN(Cc2nc(Cc3ccccc3)no2)C1 84692267 DCVHEURVXSDGDC-UYAOXDASSA-N 368.525 3.747 0 40 FHAB CCOC(=O)c1cc(NC(=O)c2ccc(OC)c(OC)c2)ccc1Cl 20451833 AGGIRHNNSKWYEK-UHFFFAOYSA-N 363.797 3.786 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@@H]1CCCOc2cc(F)ccc21 95464535 OLWDMSWHRDZCBN-MRXNPFEDSA-N 366.392 3.828 0 40 FHAB O=C(O)c1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1Cl 20494685 BKUIYOPFRZRZCZ-UHFFFAOYSA-N 369.229 3.818 0 40 FHAB CCOC(=O)C1=C(C)N=C(SC)N[C@H]1c1cccc(Br)c1 408989430 KSOBTRRDFNWWHU-ZDUSSCGKSA-N 369.284 3.650 0 40 FHAB CCc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 408706923 FESPIVGCYZECTR-INIZCTEOSA-N 356.853 3.572 0 40 FHAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(C(=O)O)c(O)c1 20144529 APPIXOYNHNYPPE-UHFFFAOYSA-N 370.188 3.723 0 40 FHAB O=C(CCc1ccc(F)cc1)NCc1nc(-c2cccc(Cl)c2)no1 62512422 LGDAMHOOTVSCTB-UHFFFAOYSA-N 359.788 3.778 0 40 FHAB CCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408705069 XSXBNGZXQSZRHY-LJQANCHMSA-N 374.893 3.864 0 40 FHAB Cn1c(C(=O)NC[C@H]2CCCN3CCCC[C@@H]23)cc2c(Cl)cccc21 504401803 VYEVFIWPVHADNM-PBHICJAKSA-N 359.901 3.826 0 40 FHAB biogenic O=C(c1ccc(Br)cc1)N1CCOC[C@H]1c1ccc(F)cc1 1521729933 NJCDVAZWOGCWIA-INIZCTEOSA-N 364.214 3.802 0 40 FHAB Cc1ccccc1C(=O)Nc1cc2nc(O)[nH]c2cc1N1CCCCC1 408528402 FYXGQTJTQPYZBL-UHFFFAOYSA-N 350.422 3.820 0 40 FHAB O=C(N[C@H]1CCCc2c1[nH]c1ccccc21)c1ccccc1-n1cnnc1 524733418 PXUJQHQNSHYMPN-SFHVURJKSA-N 357.417 3.556 0 40 FHAB COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc1C 4349049 PYWGEQMZEYKAHN-UHFFFAOYSA-N 356.374 3.803 0 40 FHAB biogenic CCCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)C1=O 409236606 TYGVQKRDFJMROQ-SFQUDFHCSA-N 366.417 3.577 0 40 FHAB O=C(Nc1cccc(CN[C@@H]2CCCC[C@@H]2O)c1)c1ccccc1Cl 78724805 RCRYPFVFSIVZMD-MOPGFXCFSA-N 358.869 3.985 0 40 FHAB COc1ccc(NC(=O)CCOc2ccc(C)cc2C)cc1NC(C)=O 36396927 JSTFAHXEMZETPB-UHFFFAOYSA-N 356.422 3.678 0 40 FHAB O=C(Nc1cnn(Cc2ccccc2)c1)c1ccccc1Br 28230635 MLAPCFHWSQWNJL-UHFFFAOYSA-N 356.223 3.946 0 40 FHAB Cc1ccc(CNC(=O)N[C@H]2c3ccccc3CC23CCOCC3)nc1C 562671897 WYBPZJCZEZWRAP-FQEVSTJZSA-N 365.477 3.592 0 40 FHAB CCOC(=O)[C@H]1CC(=O)N(c2ccc(-c3nc4ccccc4s3)cc2)C1 45958789 JSUOBIGESZVERZ-AWEZNQCLSA-N 366.442 3.879 0 40 FHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCOc1ccccc1OC 224467152 XMUURJGRCKNKKP-QGZVFWFLSA-N 357.450 3.665 0 40 FHAB C[C@H](C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)Cc1ccccc1Cl 40106063 XJRUNZCQIVQFRE-LLVKDONJSA-N 372.273 3.935 0 40 FHAB Cc1ccnc(NC(=S)NCC2(c3ccc(F)cc3)CCOCC2)c1 224025634 ZCUAZOXIGUWZCF-UHFFFAOYSA-N 359.470 3.564 0 40 FHAB NS(=O)(=O)c1nc(-c2ccc(Cl)cc2)sc1-c1ccc(F)cc1 82087270 WVDNBWMPWBRKNT-UHFFFAOYSA-N 368.842 3.917 0 40 FHAB Cc1cccc(OCC(=O)NCCCN2CCCc3ccccc32)c1C 222823493 GFWMLCATBJBPIR-UHFFFAOYSA-N 352.478 3.641 0 40 FHAB O=C(Nc1cc(Cl)ccc1-n1cncn1)c1cc(Cl)ccc1F 48341721 PJHLTJBIYIZKJF-UHFFFAOYSA-N 351.168 3.966 0 40 FHAB COc1ccc(C(=O)NCCCc2ccc(OC)c(OC)c2)cc1Cl 222884733 ZTKGSFXLZVVSOW-UHFFFAOYSA-N 363.841 3.728 0 40 FHAB COc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1F 40025194 DEXPYKNPBACORJ-CQSZACIVSA-N 353.397 3.730 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)COc2cccc3c2CCCC3)cc1 223078657 MLLUHLNSPXVLNM-MRXNPFEDSA-N 369.461 3.537 0 40 FHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccc(OC)cc1 224452509 WYWBJVMEADNYGD-HXUWFJFHSA-N 357.450 3.665 0 40 FHAB Cc1ccccc1OCCNC(=O)[C@@H](C)Oc1cccc2c1CCCC2 225129847 JHTNYZUPUGRJMA-QGZVFWFLSA-N 353.462 3.836 0 40 FHAB Cc1ccc(CNC(=O)c2cc(-c3cnc(-c4ccccc4)nc3)cn2C)o1 96147623 MLQFYQLNLURTFO-UHFFFAOYSA-N 372.428 3.981 0 40 FHAB Cn1nc(C(=O)NCc2nc3ccccc3[nH]2)cc1-c1ccccc1Cl 96345189 IZVMRCKGZHPXSX-UHFFFAOYSA-N 365.824 3.547 0 40 FHAB O=C(Cc1cccs1)N1C[C@H]2CCC[C@@]2(COCc2ccccn2)C1 96109347 UFZYYVJBZHPWGH-UZLBHIALSA-N 356.491 3.531 0 40 FHAB Cc1ccc(CCC(=O)N2CCOC[C@@H]2Cc2c[nH]c3ccccc23)s1 585085016 IQHXLHORRZDYSH-KRWDZBQOSA-N 368.502 3.941 0 40 FHAB Cc1ccc(N(CC(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)cc1 242438764 BLQCNCVQOGRRTI-UHFFFAOYSA-N 374.506 3.832 0 40 FHAB O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccc(F)cc3)N2Cc2ccccn2)N1 257240360 HTCRVURYYBMDDJ-AABGKKOBSA-N 353.441 3.595 0 40 FHAB O=S(=O)(c1ncsc1-c1ccccc1)N1CCc2ccccc2C1 1775977270 XNBKASSFHIXGNE-UHFFFAOYSA-N 356.472 3.557 0 40 FHAB O=C(NC[C@H](OC1CCCC1)C(F)(F)F)c1ccncc1C(F)(F)F 617649569 FTLRHYZBTDFPLZ-LBPRGKRZSA-N 370.293 3.720 0 40 FHAB COc1ccc(SC)c(OC)c1C(=O)N1CC2(CCCC2)OC[C@H]1C 622969293 GGEATAXNAXDVBU-CYBMUJFWSA-N 365.495 3.599 0 40 FHAB COc1cccc2c1CN(C(=O)N[C@H](CCc1ccccc1)C(F)F)C2 624622327 WHPUOACCQYETNF-QGZVFWFLSA-N 360.404 3.987 0 40 FHAB Cc1noc(CCC(=O)N2CCC[C@@]2(C)c2ccc(C(F)(F)F)cc2)n1 636340749 JYLDLOZCLJIAIW-KRWDZBQOSA-N 367.371 3.867 0 40 FHAB O=S(=O)(CCc1ccccc1F)N(Cc1ccc(F)cc1F)C1CC1 656880684 LQLYKHNNXACXFN-UHFFFAOYSA-N 369.408 3.641 0 40 FHAB C[C@H](NC(=O)N1CCC[C@@H](n2ccnc2)C1)c1ccc(F)cc1Cl 605981447 PFCUTIDPNAFIBX-GXTWGEPZSA-N 350.825 3.783 0 40 FHAB CCNC(=O)C1(Cc2cccc(-c3ccccc3OC)c2)CCOCC1 585164859 CBUZQYICBQDRLI-UHFFFAOYSA-N 353.462 3.838 0 40 FHAB c1ccc(-c2cnc(Nc3cc(C[C@H]4CNCCOC4)ccn3)s2)cc1 585263245 RWZDNNJIFUINQI-INIZCTEOSA-N 366.490 3.727 0 40 FHAB O=C([C@@H]1Cc2ccc(F)cc21)N1CCOc2ccc(C(F)(F)F)cc21 684463436 YSHMXPWQZRMJJR-CQSZACIVSA-N 351.299 3.910 0 40 FHAB Cc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(n2cc(C(C)(C)C)nn2)C3)s1 1776009803 RONDDZNWLGIAHW-KBPBESRZSA-N 358.511 3.954 0 40 FHAB C=CC(=O)Nc1cccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(F)cc32)c1 1300282680 XGAWOSBMOQXHIH-KRWDZBQOSA-N 368.408 3.982 0 40 FHAB C[C@H](NCC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1Cl 57336073 DOADEUGJMCVIFW-ZDUSSCGKSA-N 371.868 3.522 0 40 FHAB CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2ccc(F)cc2)NC(=S)N1 12601696 OWIRYIHIRUAYQW-QGZVFWFLSA-N 355.438 3.566 0 40 FHAB Cc1c(Cl)cccc1NCC(=O)Nc1ccccc1C(=O)NC1CC1 12979455 BQUFBGLNWBTTMU-UHFFFAOYSA-N 357.841 3.591 0 40 FHAB C[C@@H](OC(=O)c1sccc1-n1cccc1)c1nc2ccccc2c(=O)[nH]1 12996948 FCYWSNLJFKKYGA-GFCCVEGCSA-N 365.414 3.693 0 40 FHAB COc1ccc(C(=O)Nc2ccc(C(=O)O)cc2C)cc1Br 13391505 UZORLSGHXIQHEJ-UHFFFAOYSA-N 364.195 3.717 0 40 FHAB CCOc1ccccc1C(=O)N(CC)Cc1cc2cccc(C)c2[nH]c1=O 13479864 AZWUQCAACVYVCY-UHFFFAOYSA-N 364.445 3.898 0 40 FHAB Cc1cc2occ(CC(=O)OCC(=O)Nc3ccnn3C(C)C)c2cc1C 15125497 ABBWMHOIOMHLHX-UHFFFAOYSA-N 369.421 3.551 0 40 FHAB COc1ccc(OCCNC(=O)CSc2ccc(Cl)cc2)cc1 16517387 ZBSRJMGFKZYEFB-UHFFFAOYSA-N 351.855 3.636 0 40 FHAB Cc1ccc(CC(=O)N2CCc3onc(Nc4cccc(F)c4)c3C2)cc1 19209823 GOGUMXKFNJQXKH-UHFFFAOYSA-N 365.408 3.993 0 40 FHAB Cn1cnc2cc(C(=O)Nc3ccccc3OCc3ccccn3)ccc21 19718418 PYROIRYYHUPDDX-UHFFFAOYSA-N 358.401 3.800 0 40 FHAB CCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S 7262870 BHHUFOSCVXVOII-WBOGTDJTSA-N 373.858 3.934 0 40 FHAB CC(C)COc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)cc1 4332884 TYTYIFFNBXISDK-MRXNPFEDSA-N 355.434 3.756 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 5704634 FVRUQLLUDWRPEP-LLVKDONJSA-N 370.430 3.548 0 40 FHAB Cc1cc(F)cnc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1889149225 SBSHTAIOMUFTHY-UHFFFAOYSA-N 367.346 3.510 0 40 FHAB CC1(C)Cc2cccc(OCC(=O)NCC3(c4ccsc4)CC3)c2O1 1889239969 AOCXILVLCXXHKP-UHFFFAOYSA-N 357.475 3.688 0 40 FHAB O=C(CNC(=O)Nc1cccc(Cl)c1)NC[C@H]1CCCc2ccccc21 1136167548 UAOHQOIZGYSICF-OAHLLOKOSA-N 371.868 3.698 0 40 FHAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)c3ccccc3C)C2)cc1C 2037913078 PNCNBWWJLDRSAJ-QFIPXVFZSA-N 353.462 3.658 0 40 FHAB COCCNC[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 2339766 DSIQFIHYYDCOLI-AWEZNQCLSA-N 367.276 3.698 0 40 FHAB CCOC(=O)C[C@H](NC(=O)Cc1cccs1)c1ccccc1Cl 3627758 PKEDVIUFWOAXQI-HNNXBMFYSA-N 351.855 3.755 0 40 FHAB Cc1ccc(N2C[C@@H](NC(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1 4373128 YOFGRNFHVNPZAL-HNNXBMFYSA-N 357.841 3.884 0 40 FHAB COCC(=O)Nc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12 4341976 GCKZWBWJHGZOGF-UHFFFAOYSA-N 358.781 3.923 0 40 FHAB COc1ccc(-c2ccc(SCCN3CCCCC3)nn2)cc1OC 5410544 AJKYAYAABMDKGO-UHFFFAOYSA-N 359.495 3.739 0 40 FHAB COc1ccc2nc(-c3ccc(C)c(NC(=O)C4CCCC4)c3)cn2n1 12441187 PIBSDEATYULTQJ-UHFFFAOYSA-N 350.422 3.842 0 40 FHAB O=C(Nc1nc(-c2cccnc2)cs1)c1csc(-n2cccc2)n1 38490417 PQVOQSOYNXRECJ-UHFFFAOYSA-N 353.432 3.705 0 40 FHAB CCOc1ccccc1-n1ccnc(NCc2ccccc2Cl)c1=O 10273212 FAQTWHSYHHIRKM-UHFFFAOYSA-N 355.825 3.897 0 40 FHAB CC(C)c1ccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1 10213475 HTSUTRKZRTVVLF-UHFFFAOYSA-N 352.486 3.939 0 40 FHAB O=C(Cc1csc(Nc2ccc(OC(F)(F)F)cc2)n1)NC1CC1 16850148 NORAOUPYGLDMLY-UHFFFAOYSA-N 357.357 3.606 0 40 FHAB O=C(CSC(=S)N1CCCC1)Nc1ccccc1OC(F)(F)F 215753304 FOAMOXZAIBKRJD-UHFFFAOYSA-N 364.414 3.638 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1 5150758 NSJQWBJJAUGIDG-UHFFFAOYSA-N 360.460 3.928 0 40 FHAB CC(=O)Nc1cccc(-n2nnnc2S[C@H]2CCCc3ccccc32)c1 40114340 NEQGYPXJXVOMPN-SFHVURJKSA-N 365.462 3.790 0 40 FHAB CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2)c2cccc(C)c21 32096104 OLMZYHKQULSEME-QFIPXVFZSA-N 372.428 3.825 0 40 FHAB COc1cccc(CN(C)C(=O)c2cccnc2SC(F)F)c1OC 32738183 QQSQBYUMNUTQRF-UHFFFAOYSA-N 368.405 3.686 0 40 FHAB Cc1csc(CNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)n1 21483351 LLQYQOWELBMIAR-UHFFFAOYSA-N 365.458 3.883 0 40 FHAB CN1CCN(Cc2ccc(C(=O)c3ccccc3C(F)(F)F)cc2)CC1 22027933 FIKIVLFOIMVDMK-UHFFFAOYSA-N 362.395 3.684 0 40 FHAB Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3C)CC2)c1 644488 GMFQUIJXGCNSIH-UHFFFAOYSA-N 372.534 3.740 0 40 FHAB CCOc1c(Br)cc(C(N)=O)cc1OCc1ccccc1 667541 BSRCHEWLDWWUHU-UHFFFAOYSA-N 350.212 3.526 0 40 FHAB O=C(NC(Nc1nccs1)(C(F)(F)F)C(F)(F)F)c1ccccc1 721329 CGBRDQAJHWVBPN-UHFFFAOYSA-N 369.290 3.806 0 40 FHAB CS[C@@H](C)C(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 47187611 ADVWVIYWXUUYHX-WMLDXEAASA-N 360.548 3.715 0 40 FHAB C[C@@H](CC(=O)N1CCC[C@H](c2n[nH]c(=S)n2C)C1)C1CCCCC1 78622039 VQCUBAWCMVLJFM-ZFWWWQNUSA-N 350.532 3.790 0 40 FHAB CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCC(C)C)cc1 4066329 JJQFLCSENHEANQ-SFHVURJKSA-N 360.454 3.693 0 40 FHAB CCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(N)c1)C2=O 4798000 AESAJPIIFLAXQD-UHFFFAOYSA-N 366.417 3.807 0 40 FHAB COc1cccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 6450919 MBCYRJPCOBKKFJ-UHFFFAOYSA-N 374.853 3.865 0 40 FHAB O=C(COC(=O)c1c[nH]c2ccccc12)Nc1ncc(Cl)cc1Cl 6605754 XGLVLTREASNHLO-UHFFFAOYSA-N 364.188 3.665 0 40 FHAB CCOc1cc(CNn2cnnc2)ccc1OCc1ccc(Cl)cc1 7602402 FUJXJTAUFBBUCC-UHFFFAOYSA-N 358.829 3.653 0 40 FHAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2c(C)cc(C)cc2C)c1 10112318 YRZRPGKUFOVIPY-UHFFFAOYSA-N 361.463 3.898 0 40 FHAB COc1ccc(OCCC(=O)Nc2cc3c(cc2Cl)OCCO3)cc1 24921642 KKISMRZFVFCGAN-UHFFFAOYSA-N 363.797 3.527 0 40 FHAB CCN(Cc1ccccc1)C(=O)CSc1nnc(-c2cccs2)o1 51319186 WQGGQIZCPWXVIS-UHFFFAOYSA-N 359.476 3.939 0 40 FHAB COc1ccc(OC[C@H]2[C@@H]3CC[C@H](C3)N2C(=O)c2cnn(C(C)C)c2)cc1 100113479 KKSLSPNZYHPJLR-MDYRTPRTSA-N 369.465 3.545 0 40 FHAB Cc1cccc2c(=O)n(CCCC(=O)N[C@@H](C)CCCC(C)C)cnc12 25345826 FTXQGRGTKFDMGY-KRWDZBQOSA-N 357.498 3.816 0 40 FHAB Cc1[nH]c2ccc(C(=O)O[C@@H](C)C(=O)NCc3ccccc3)cc2c1C 9551903 QQMRGTAUSWOMBH-HNNXBMFYSA-N 350.418 3.646 0 40 FHAB O=C(COc1ccccc1O)OCC(=O)c1ccc(-c2ccccc2)cc1 3295303 FGARZGFGQWXDGM-UHFFFAOYSA-N 362.381 3.864 0 40 FHAB CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C)c1ccccc1 57999679 NRGWOIUMCZFDDB-UHFFFAOYSA-N 372.881 3.891 0 40 FHAB Cc1cccc(N2C(=O)C[C@@H](Nc3ccccc3Br)C2=O)c1 101275224 XIPDWRYDMOXMEF-OAHLLOKOSA-N 359.223 3.502 0 40 FHAB Cc1nc(C)c(C(=O)OCC(=O)c2ccc(NC(=O)CC(C)C)cc2)s1 10142951 JAHAKHQXHQWQRI-UHFFFAOYSA-N 374.462 3.784 0 40 FHAB CN(C)[C@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(F)c1 27592052 KMARFWVFCBSPCP-QGZVFWFLSA-N 368.374 3.806 0 40 FHAB C[C@@H]1Sc2ccc(C(=O)N3CCC[C@@H](C(F)(F)F)C3)cc2NC1=O 10285384 ZJGHKGSBRBJXQP-GXSJLCMTSA-N 358.385 3.534 0 40 FHAB CN(Cc1ccc(Cl)s1)C(=O)C1CCN(C(=O)c2ccco2)CC1 20911358 XUVDNHGNWIFROX-UHFFFAOYSA-N 366.870 3.505 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1ccccc1 9156638 HNQVHKGKMATYDH-SFHVURJKSA-N 357.816 3.661 0 40 FHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)COc2ccccc2C)c1 12776457 QCUDHWRAHKJFPL-GOSISDBHSA-N 355.434 3.755 0 40 FHAB NC(=O)[C@@H](c1ccc(F)cc1)N1CCC(c2c[nH]c3ccccc23)CC1 12790664 PQEAFUBYYBJERC-HXUWFJFHSA-N 351.425 3.713 0 40 FHAB Cc1cccn2cc(-c3cccc(S(=O)(=O)N4CCC[C@H](C)C4)c3)nc12 2427259 ZKPBWVADSYHLBU-HNNXBMFYSA-N 369.490 3.730 0 40 FHAB O=C1OCC[C@H]1Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 3332768 HETHYCGAUNQQOJ-MRXNPFEDSA-N 369.421 3.540 0 40 FHAB COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1OC 11406520 GPMDDDJLWSZRRI-UHFFFAOYSA-N 357.797 4.000 0 40 FHAB CCc1cccc(OCC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1 11743690 LHRHFXQIYMDMMS-UHFFFAOYSA-N 352.434 3.702 0 40 FHAB CCCOc1cccc(C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)c1 52992375 HLVYRUCRFCQQQE-UHFFFAOYSA-N 372.509 3.777 0 40 FHAB C[C@@H](NC(=O)C1CCCC1)c1cc2c(cc1Br)OCCO2 48345832 JAVSWZFPWCLBBV-SNVBAGLBSA-N 354.244 3.588 0 40 FHAB C[C@@H]1CCc2c(sc3ncn4nc(-c5ccnn5C(F)F)nc4c23)C1 2797643 UKCHQTNWCSCPOV-MRVPVSSYSA-N 360.393 3.722 0 40 FHAB CC(=O)c1ccccc1OS(=O)(=O)c1ccccc1OC(F)(F)F 12895783 ALQGLSNCJULYDV-UHFFFAOYSA-N 360.309 3.556 0 40 FHAB COc1ccc(NC(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)cc1 12877593 CTQHMEVLRYMYET-UHFFFAOYSA-N 368.462 3.954 0 40 FHAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CCOc2ccccc2)C1=O 12801137 XKZFJJJZVFXWRO-LJQANCHMSA-N 358.825 3.576 0 40 FHAB O=C(CSc1nnc(-c2cccs2)o1)NCCCc1ccccc1 3475176 XQCCMZMWOIDNOH-UHFFFAOYSA-N 359.476 3.639 0 40 FHAB Cc1csc(NC(=O)COc2ccc(Cl)cc2Br)n1 3510443 BKHGODMRKDXUIQ-UHFFFAOYSA-N 361.648 3.885 0 40 FHAB CC(C)COc1cccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1 12937299 MHFMJGIHZMXZFN-UHFFFAOYSA-N 352.434 3.866 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1cnccn1 3615071 HFNFIIKIOUSQLL-HXUWFJFHSA-N 374.444 3.545 0 40 FHAB Cn1cc([C@@H]2CC(=O)N(CCc3c[nH]c4ccccc34)C2=O)c2ccccc21 3999836 RJNKSWLRRCDLCX-SFHVURJKSA-N 371.440 3.745 0 40 FHAB biogenic COc1ccc([C@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc1OC 6018661 AWOGQCSIVCQXBT-VUEDXXQZSA-N 370.401 3.508 0 40 FHAB endogenous,in-man Cc1ccc2[nH]c(SCC(=O)Nc3ccc4c(c3)OCCCO4)nc2c1 6292021 BJQWVMHEDVVNSC-UHFFFAOYSA-N 369.446 3.763 0 40 FHAB O=C(Nc1ccccc1)c1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 6339812 GWLBDEXJQIOVGY-CVEARBPZSA-N 366.417 3.768 0 40 FHAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1Cl 9315244 VYMJHHOQMZNUGK-KRWDZBQOSA-N 372.852 3.887 0 40 FHAB CSc1ccc(CN(C)C(=O)c2ccc(Cn3cccn3)cc2)cc1 14068648 PLNGNWVTLTXNBJ-UHFFFAOYSA-N 351.475 3.926 0 40 FHAB Cc1cccc([C@@H](C)NC(=O)N2CCN(c3cccc(O)c3)CC2)c1C 115858652 JCLDBVLTNHNICO-QGZVFWFLSA-N 353.466 3.602 0 40 FHAB COc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 14168062 UGTQPIZKZTUFRD-MRXNPFEDSA-N 354.406 3.835 0 40 FHAB O=C(N[C@H]1CCCc2ccccc21)C1CCN(C(=O)c2cccs2)CC1 6540027 YYUXJUZUUSIESV-SFHVURJKSA-N 368.502 3.794 0 40 FHAB CC(=O)c1ccc(NC(=O)COc2cc(C)cc3oc(=O)cc(C)c23)cc1 6661059 DLEOMZOHNGHHOX-UHFFFAOYSA-N 365.385 3.630 0 40 FHAB NC(=O)c1c(NC(=O)c2ccc(-c3ccccc3F)o2)sc2c1CCC2 6847676 PEDJLCNIXBGZIF-UHFFFAOYSA-N 370.405 3.987 0 40 FHAB C[C@@H]1C[C@@H](CC(=O)NCCc2n[nH]c(=S)n2C2CC2)CC(C)(C)C1 67078391 IHXIGXIVPARNNU-OLZOCXBDSA-N 350.532 3.787 0 40 FHAB CCc1ccc(C(=O)OCC(=O)NCc2cccc(C(F)(F)F)c2)cc1 67197887 DZGSCMZKYMQDLZ-UHFFFAOYSA-N 365.351 3.741 0 40 FHAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)NCc1ccccc1 4966368 FSWCAKFDIOFUES-UHFFFAOYSA-N 365.502 3.792 0 40 FHAB CCOc1ccc(-n2ccnc(NCCc3ccc(Cl)cc3)c2=O)cc1 15732438 KRHLDJBQWSMVIS-UHFFFAOYSA-N 369.852 3.939 0 40 FHAB CC(=O)NCCc1ccc(-c2csc(NC(=O)[C@H]3CC=CCC3)n2)cc1 7778271 LJIRKIYIHNSORA-KRWDZBQOSA-N 369.490 3.784 0 40 FHAB O=C(c1ccccc1)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 68740832 NUDYSSPIOFXHOX-UHFFFAOYSA-N 355.390 3.858 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@H]1CCOc2ccccc21 7964757 IIXZAPCNUDEFFA-VQTJNVASSA-N 362.429 3.591 0 40 FHAB COc1ccc(OC)c(NC(=O)CN(C)[C@H]2CCCc3ccccc32)c1 8126445 JHEZDEQEXULANP-IBGZPJMESA-N 354.450 3.652 0 40 FHAB Cc1oc(-c2ccco2)nc1CC(=O)N1Cc2ccccc2N(C)C[C@@H]1C 81612771 BZRAQDIIYCTGPF-AWEZNQCLSA-N 365.433 3.653 0 40 FHAB Cc1cc(NC(=O)CN(C)Cc2ccc(-c3ccc(Cl)cc3)o2)no1 8310768 QCRKCMGRFBDGFZ-UHFFFAOYSA-N 359.813 3.967 0 40 FHAB CC(C)(C(=O)OCCNc1ncnc2ccccc12)c1ccc(F)cc1 72310718 HARKCJTZXHEBQH-UHFFFAOYSA-N 353.397 3.702 0 40 FHAB COc1ccc(C(=O)CSc2nc3ccccc3c3nc(C)nn23)cc1 9939961 ITKMCKUGIYYGPU-UHFFFAOYSA-N 364.430 3.570 0 40 FHAB CCn1nc(C)c(NC(=O)NCc2ccc(N3CCCCCC3)nc2)c1C 89480384 BLHBLNNLCUEZLS-UHFFFAOYSA-N 370.501 3.617 0 40 FHAB COC(=O)COc1ccc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1 409109412 DGZKBMWMRSYDJO-UNOMPAQXSA-N 365.429 3.782 0 40 FHAB Cc1cc(C)cc(-n2ccnc(SCC(=O)Nc3ccccc3)c2=O)c1 4484292 XUPLVSAHAMINCU-UHFFFAOYSA-N 365.458 3.580 0 40 FHAB CCOC(=O)COc1ccc(/C=C2\Sc3ccccc3NC2=O)cc1 409099370 QRLXJMHSHVGDSE-BOPFTXTBSA-N 355.415 3.714 0 40 FHAB C[C@H]1[C@H](CCN2CCCC2)COCCN1C(=O)c1ccc2ccccc2c1 306141799 WGUCPEAUZWJCAI-PGRDOPGGSA-N 366.505 3.803 0 40 FHAB CSCC[C@H](NC(=O)Cc1ccccc1Cl)c1nnc2ccccn12 20734571 LYQPDBOLOIKCAM-HNNXBMFYSA-N 374.897 3.536 0 40 FHAB NC(=O)/C=C\c1ccc(OCc2ccccc2F)c(Br)c1 409416252 RUTFLGNMBAREPK-VURMDHGXSA-N 350.187 3.666 0 40 FHAB CC[C@H](C)N1C(=O)S/C(=C/c2c(C)nn(-c3ccccc3)c2O)C1=O 409010498 FEUIAJJBDHTQMH-KBVGCWLLSA-N 357.435 3.721 0 40 FHAB NC(=O)N1CCCc2ccc(NC(=O)c3cc(O)c4ccccc4c3)cc21 527184045 JRSRQPNAVHJXRE-UHFFFAOYSA-N 361.401 3.629 0 40 FHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)c1 30862578 BTXGDBAHAYRKEH-FQEVSTJZSA-N 366.505 3.724 0 40 FHAB Cc1cc(N2CCOCC2)nc2sc3c(SC(C)C)ncnc3c12 71280384 ACJQMAXTDFXHDC-UHFFFAOYSA-N 360.508 3.885 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)CN(C)c1nc2ccccc2s1 70972738 PJPZWUTZSKZTAL-HNNXBMFYSA-N 353.491 3.870 0 40 FHAB COC(=O)c1ccc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 40160422 NAPCPYYIDDNCOG-UHFFFAOYSA-N 361.825 3.600 0 40 FHAB Cc1ccc(C)c(O[C@H](C)C(=O)NCc2cccc(CN3CCCC3)c2)c1 224619140 ZWZLCGIEPYBWCX-LJQANCHMSA-N 366.505 3.983 0 40 FHAB CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1 49466942 RXFHEIFPGNOEKV-BKTGTZMESA-N 353.418 3.859 0 40 FHAB Cc1ccc2c(c1)[C@H](NC(=O)c1cc(Cl)c3c(c1)OCCCO3)CO2 531659014 BEMMQZNVQGCLGV-OAHLLOKOSA-N 359.809 3.673 0 40 FHAB CC[C@@H](Cc1cn(C)c2ccccc12)NC(=O)c1cc(-c2ccco2)[nH]n1 1586816914 TVWMAXLMOBDALP-HNNXBMFYSA-N 362.433 3.913 0 40 FHAB COc1ccc(NC(=S)NCCCOC2CCCCC2)c(OC)c1 225617012 OYJBAKDRDALQON-UHFFFAOYSA-N 352.500 3.730 0 40 FHAB COc1ccc(-c2nc(N3CCCC3)sc2CC(=O)O)cc1Cl 95097182 XJFJIYKOSUZYAH-UHFFFAOYSA-N 352.843 3.699 0 40 FHAB CC(C)NC(=O)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 96146536 PEZVLANPFICJGI-UHFFFAOYSA-N 373.460 3.923 0 40 FHAB COc1cccc(OCCc2nnc(NC(=O)c3ccc(C)cc3)s2)c1 95116468 NXIQNKUDSIRPRP-UHFFFAOYSA-N 369.446 3.729 0 40 FHAB CCc1ccc(S(=O)(=O)N2CCC3(CCc4ccccc4O3)CC2)cc1 85557841 INWGPEJPMDMTSP-UHFFFAOYSA-N 371.502 3.798 0 40 FHAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@@H](c3ccncn3)C2)o1 257276686 NUSJEWUCBCGLSZ-OAHLLOKOSA-N 363.417 3.814 0 40 FHAB CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC1CCC(C2CCCCC2)CC1 1658064274 DOHILROMTWFPFQ-PCODVIEZSA-N 370.603 3.823 0 40 FHAB CCn1c(CN2CCC(c3ccco3)CC2)nc2cc(C(=O)O)ccc21 656757804 SQMKONHDNKWYLA-UHFFFAOYSA-N 353.422 3.727 0 40 FHAB O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 664574724 DFZOCETYETZLKH-LNCSSOGTSA-N 366.436 3.541 0 40 FHAB C[C@@]1(Cc2ccccc2C(F)(F)F)CCCN1Cc1nc(C(=O)O)co1 659803559 IXHPSRQEWGAUBF-KRWDZBQOSA-N 368.355 3.989 0 40 FHAB C[C@]1(CCc2ccc(O)cc2)Nc2ccccc2C(=O)N1C[C@@H]1CCCO1 52806753 RYEXBLDYCYLHPS-AVRDEDQJSA-N 366.461 3.788 0 40 FHAB c1cnc2nc(C3CCN(CCc4ccc5c(c4)CCO5)CC3)ccc2c1 653805831 AWVAEHNLNOQKCT-UHFFFAOYSA-N 359.473 3.987 0 40 FHAB CCCCOC(=O)c1ccccc1C(=O)O[C@H](C)C(=O)OCCCC 5552791 BONVKIQEIFMNFX-CQSZACIVSA-N 350.411 3.532 0 40 FHAB O[C@]1(c2ccccc2)CC(C(F)(F)F)=NN1C(=S)c1ccccc1 5772949 JRFSSCGONPSTLT-INIZCTEOSA-N 350.365 3.831 0 40 FHAB COc1ccc(-c2cc(CC(=O)N[C@@H](C)c3ccccc3)no2)cc1OC 12867716 RUKFIWYMKPPUCQ-AWEZNQCLSA-N 366.417 3.779 0 40 FHAB C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc2c(c1)OCO2 14210760 HUEFSGVENYEBDU-SECBINFHSA-N 374.245 3.762 0 40 FHAB Cc1ccc([C@H](CNC(=O)COc2ccccc2C)N2CCC(C)CC2)o1 15860293 UPRODHQMQDCDDT-IBGZPJMESA-N 370.493 3.865 0 40 FHAB Cn1ccnc1-c1nc(NCC2CCOCC2)ncc1-c1cccc(F)c1 19291633 NDEYHCRLZBMHNM-UHFFFAOYSA-N 367.428 3.522 0 40 FHAB CC(C)[C@H](NC(=O)C[C@H](C)n1cccn1)c1ccc2c(c1)OCCCO2 19445797 VGMOIAHCCPZIAS-YWZLYKJASA-N 357.454 3.509 0 40 FHAB Cc1ccc(-c2ccc(C(=O)O)o2)c(NS(=O)(=O)c2ccccc2)c1 226353576 IAMHXXRFRYYOHE-UHFFFAOYSA-N 357.387 3.754 0 40 FHAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)c2cccnc2)c1 4659789 NDYPMTYXVKWZDO-UHFFFAOYSA-N 361.401 3.985 0 40 FHAB O=C1O[C@]2(CCCN(C3CCOCC3)CC2)CN1c1ccc(Cl)cc1 2037838515 LFORPGWEYRSDPL-IBGZPJMESA-N 364.873 3.700 0 40 FHAB Cc1cccc(C(=O)N2CCC(O)(COc3ccc(C)c(C)c3)CC2)c1 2037916071 LXBRQOJKKSBRQC-UHFFFAOYSA-N 353.462 3.658 0 40 FHAB COc1ccc(N2C[C@](O)(c3ccc(Cl)cc3)[N+]3=C2CCCC3)cc1 2966333 KXRYQJKFKJZVPE-FQEVSTJZSA-N 357.861 3.609 0 40 FHAB COc1cc2[nH]c(=S)nc(NCc3ccc4c(c3)OCO4)c2cc1OC 4918904 QGDVLSIGIJEXMV-UHFFFAOYSA-N 371.418 3.650 0 40 FHAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1ccc(F)cc1 5152743 VYYPIXNIUJFWFJ-LJQANCHMSA-N 350.393 3.953 0 40 FHAB CCOC(=O)c1ccc2nc(NC(=O)c3ccc(OC)cc3)sc2c1 6327983 GCRCGORXVCXONL-UHFFFAOYSA-N 356.403 3.734 0 40 FHAB O=C(COc1ccccc1)Oc1ccc2nc(N3CCCC3)sc2c1 7513015 LOPHFDMHHCUUCE-UHFFFAOYSA-N 354.431 3.881 0 40 FHAB COc1ccc2c(c1)SC1=NC(C(F)(F)F)(C(F)(F)F)NC(=O)N12 12371439 CCLAYFRUJMYKHW-UHFFFAOYSA-N 371.262 3.507 0 40 FHAB Cc1cc(C)c(C(=O)NCCCN2CCO[C@H](c3ccccc3)C2)c(C)c1 36699985 VFRKZRLZBCFXGN-NRFANRHFSA-N 366.505 3.805 0 40 FHAB Cc1cc(C)nc(O[C@@H]2CCCN(C(=O)Nc3cccc(Cl)c3)C2)n1 575613494 RELXKDCYWAOSMZ-MRXNPFEDSA-N 360.845 3.822 0 40 FHAB CCOc1ccccc1-c1nc([C@H]2CC(=O)N(c3ccc(C)cc3)C2)no1 49060490 BVWLGCQXYTZQCT-HNNXBMFYSA-N 363.417 3.964 0 40 FHAB COC(=O)c1ccc(CN(C)C(=O)c2cc(F)c(F)cc2Cl)cc1 30516889 GUBVQZKSROZEKX-UHFFFAOYSA-N 353.752 3.677 0 40 FHAB O=C(NCCOc1ccc2c(c1)OCO2)c1cc2cc(Cl)ccc2o1 40121768 GSEFCWQFULKWCB-UHFFFAOYSA-N 359.765 3.624 0 40 FHAB CN(Cc1ccccc1)C(=O)Cc1csc(COc2ccccc2)n1 20397497 USDBTSSOEFUGQL-UHFFFAOYSA-N 352.459 3.923 0 40 FHAB O=C(Nc1cccc(NC(=O)c2ccc(F)cc2F)c1)c1cccnc1 32452443 YTDITVVWRRZCBB-UHFFFAOYSA-N 353.328 3.864 0 40 FHAB CNc1nc(SCCC(=O)Nc2ccccc2OC)nc2ccccc12 32871151 CMHJCGJXEMKKPU-UHFFFAOYSA-N 368.462 3.801 0 40 FHAB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 21641001 IDLPAPJSYMPHJO-ZDUSSCGKSA-N 354.406 3.837 0 40 FHAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccc(F)c(F)c1 32911557 DUTLVWRCYMULKZ-UHFFFAOYSA-N 355.388 3.822 0 40 FHAB CN(Cc1ccsc1)C(=O)CCCNC(=O)c1ccc(Cl)cc1 21935684 WEEXRKZCIWMJQS-UHFFFAOYSA-N 350.871 3.570 0 40 FHAB Cn1nc(C(F)(F)F)cc1C(=O)NCc1cc2cc(Cl)ccc2[nH]1 655321 SLBKFXBZSNNLDP-UHFFFAOYSA-N 356.735 3.504 0 40 FHAB Cc1cc(NC(=O)c2cc(Br)ccc2Br)no1 682472 WHWXGPKDFOHPAB-UHFFFAOYSA-N 360.005 3.760 0 40 FHAB COc1cc(C(=O)N2CCc3[nH]c4ccccc4c3C2)cc(OC)c1C 22601479 OQBJUWMFNPPSCQ-UHFFFAOYSA-N 350.418 3.692 0 40 FHAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCN(Cc2cccs2)CC1 22792595 HPNVTDUKRNRVSG-HNNXBMFYSA-N 353.491 3.618 0 40 FHAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1nc2ccc(Cl)cc2s1 355638 JCYQJCDGWABURO-HTEOGMQZSA-N 350.827 3.635 0 40 FHAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)n2ncnc2N1 703558 FKILCLHPKMSWSC-KRWDZBQOSA-N 365.824 3.859 0 40 FHAB COc1ccc2c(Cl)c(C(=O)Nc3ccccc3C(N)=O)sc2c1 784467 UDKRVFHCRFAOON-UHFFFAOYSA-N 360.822 3.915 0 40 FHAB CCN(CC)c1ccc2cc(-c3csc(NC(C)=O)n3)c(=O)oc2c1 971305 ABNYTLTVXOUVMP-UHFFFAOYSA-N 357.435 3.721 0 40 FHAB CC(=C/c1ccccc1)/C=C1\N=C(S)N(CN2CCCCCC2)C1=O 1637129 CNEMYHOTGQXXLA-DIHSMVEZSA-N 355.507 3.935 0 40 FHAB CCOc1ncccc1C(=O)OCC(=O)Nc1ccc([C@H](C)CC)cc1 3279798 UUTHOJNQFFHRKA-CQSZACIVSA-N 356.422 3.789 0 40 FHAB Cc1nc(SCC(=O)Nc2ccc(OC(F)F)cc2)nc(C)c1C 3332888 IADJSIUPDPAHRJ-UHFFFAOYSA-N 353.394 3.734 0 40 FHAB Cc1cc(Br)ccc1NC(=O)COC(=O)c1ccccc1F 3394409 UKLODRJBNXVQRX-UHFFFAOYSA-N 366.186 3.692 0 40 FHAB O=C(CSc1nnc(-c2cccs2)o1)Nc1ccc(F)c(F)c1F 3475132 GVCWLGCMYXMFJA-UHFFFAOYSA-N 371.365 3.946 0 40 FHAB Fc1cccc(CSc2ncnc3c2nnn3Cc2ccccc2F)c1 4166530 RRCBUCCZKRLJBG-UHFFFAOYSA-N 369.400 3.840 0 40 FHAB CC(C)N1C(=O)S/C(=C\c2cccn2-c2cccc(C(=O)O)c2)C1=O 4622122 PQJNYCXCRYXYLG-GDNBJRDFSA-N 356.403 3.620 0 40 FHAB COC(=O)CC[C@H]1C(=O)C(C)(C)C(=O)O[C@H]1c1ccc(Cl)cc1Cl 4751482 UNICYROSBMSQCK-RISCZKNCSA-N 373.232 3.756 0 40 FHAB Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1N1CCCC1=O 5329298 LCTOQDMSZJAPGK-UHFFFAOYSA-N 364.854 3.576 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2ccc(N3CCCCC3=O)c(C)c2)c1 5441311 IMCXWPYWTZGMMP-UHFFFAOYSA-N 368.433 3.781 0 40 FHAB COc1cc(/C=C/C(=O)NC23CC4CC(CC(C4)C2)C3)cc(OC)c1OC 5557366 QQPXMBXLQLEFDJ-SNAWJCMRSA-N 371.477 3.811 0 40 FHAB O=C(Cc1ccccc1)NC(=S)Nc1cc(Cl)c(O)c(Cl)c1 5840228 QIDDYYSCMSGRBA-UHFFFAOYSA-N 355.246 3.755 0 40 FHAB Cc1cccc(C)c1OCc1ccc(-c2nc3c4cn[nH]c4ncn3n2)cc1 6789472 DLNOLXXNZQXUGN-UHFFFAOYSA-N 370.416 3.863 0 40 FHAB Cc1cc2oc(=O)cc(C)c2cc1O[C@H](C)C(=O)N1CCc2ccccc21 6922351 DFFNDTNGOOZZEK-OAHLLOKOSA-N 363.413 3.766 0 40 FHAB O=C(Nc1ccccc1)C1CCN(C(=O)/C=C/c2ccccc2F)CC1 7073533 NVCHQTXSEYEOPL-ZHACJKMWSA-N 352.409 3.716 0 40 FHAB COc1ccc(C(=O)CN(C2=NCCCC2)c2ccccc2)cc1OC 7276026 JKNRDPUJEQNVAH-UHFFFAOYSA-N 352.434 3.976 0 40 FHAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N[C@H](C)c1ccc(F)cc1 7904316 QVYVQIYHCNTHOD-VXGBXAGGSA-N 374.485 3.988 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1OCC 7927770 FKMYLVSYUZZDKR-UHFFFAOYSA-N 357.378 3.563 0 40 FHAB O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CCN(Cc2ccccc2)C1 8389136 PPGIPWWHYCDEKB-HXUWFJFHSA-N 361.489 3.881 0 40 FHAB C[C@H](NC(=O)COc1ccc(Br)cc1)c1nc2ccccc2[nH]1 9364779 COQWVFORJAIGDA-NSHDSACASA-N 374.238 3.582 0 40 FHAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(C)Cc1ccc(Cl)s1 9514815 TUHYOCVUYOOLBU-LLVKDONJSA-N 366.870 3.632 0 40 FHAB O=C(NCc1ccc(F)cc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 9679430 UMGCNPICEBUMAQ-HNNXBMFYSA-N 352.413 3.791 0 40 FHAB CC1CCN(CCCNC(=O)N[C@@H]2CCSc3ccc(F)cc32)CC1 11641345 JAXZMRAJKMYGCR-QGZVFWFLSA-N 365.518 3.784 0 40 FHAB CCN(C(=O)Cn1nnc(-c2ccccc2)n1)c1cccc2ccccc12 12695272 LKHRHIWAYPLMNN-UHFFFAOYSA-N 357.417 3.546 0 40 FHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCc1c[nH]c2ccccc12 12760484 LKIQFBIOUFWNET-UHFFFAOYSA-N 358.445 3.945 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)CNc3cc(Cl)ccc3C)ccc21 12771146 IDGBFVJPFUITDI-UHFFFAOYSA-N 357.841 3.608 0 40 FHAB Cn1cccc1[C@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 12772455 PYQWECNBXAMEEK-OAHLLOKOSA-N 359.278 3.858 0 40 FHAB COc1cc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccc1OC(F)F 12926224 FBONIXGHWYZWQN-UHFFFAOYSA-N 373.258 3.870 0 40 FHAB O=c1oc(-c2ccc(F)cc2)nn1Cc1csc(-c2ccc(F)cc2)n1 14801992 AUBJIEXUIKBLEH-UHFFFAOYSA-N 371.368 3.953 0 40 FHAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)c(OCC)c2)cc1 14830861 XWHMCDUOHZQJCI-NTUHNPAUSA-N 369.417 3.923 0 40 FHAB CC[C@@H](C(=O)Nc1ccccc1F)n1nnc(-c2ccc(Cl)cc2)n1 15190672 PIDXNBQGGZBTIX-HNNXBMFYSA-N 359.792 3.722 0 40 FHAB COc1ccc(C)cc1S(=O)(=O)N1CCc2cc3ccc(C)cc3nc21 15841957 KFFNZBXGXXJIHO-UHFFFAOYSA-N 368.458 3.612 0 40 FHAB O=C(COc1ccc(Br)cc1)NCCSc1ccccc1 17370938 NFPIVYFWCMECQJ-UHFFFAOYSA-N 366.280 3.736 0 40 FHAB COc1ccccc1[C@H](NC(=O)c1ccc(Cl)cc1)c1nccn1C 18237681 ITERFMIEHIVZIZ-KRWDZBQOSA-N 355.825 3.602 0 40 FHAB Cn1c(C(F)(F)F)nc2cc(NC(=O)Cc3ccc4[nH]cnc4c3)ccc21 19662487 FEYXDRKRDZHHHN-UHFFFAOYSA-N 373.338 3.650 0 40 FHAB CN(C)CCC1CCN(C(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)CC1 19664321 KEPYCRPVSPLGEJ-INIZCTEOSA-N 361.530 3.630 0 40 FHAB Cc1cc(OCC(=O)NCc2ccc(-n3ccnc3)cc2)cc(C)c1Cl 20450240 MTPOVZOVQUQILS-UHFFFAOYSA-N 369.852 3.838 0 40 FHAB CC[C@H](NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1)c1ccc(C)cc1 20481972 XRPVIFOLNNLQDP-KRWDZBQOSA-N 360.479 3.556 0 40 FHAB CN(Cc1cnn(Cc2ccccc2)c1)Cc1nc(-c2cccs2)no1 23989904 KGBKHXKRLPBJAZ-UHFFFAOYSA-N 365.462 3.675 0 40 FHAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1CN1CCCC1 24189612 JHRURTKGSYOUJK-MRXNPFEDSA-N 356.441 3.505 0 40 FHAB ClC1(Cl)C[C@H]1CSc1nnc([C@H]2COc3ccccc3O2)o1 26436933 PTZDRCMYPHRGKQ-GZMMTYOYSA-N 359.234 3.868 0 40 FHAB COc1ccccc1NC(=O)C1CCN([C@H](C)c2nc(C(C)C)no2)CC1 29911470 XZAKGHMCVPIEGC-CQSZACIVSA-N 372.469 3.613 0 40 FHAB CC(C)C(=O)N1CCC[C@H](C(=O)NCCc2ccc(Cl)cc2Cl)C1 36395693 PMZLKIJHRQZWBQ-AWEZNQCLSA-N 371.308 3.547 0 40 FHAB COc1cccc([C@@H](CNC(=O)CCc2ccccc2Cl)N(C)C)c1 36684805 ZRBWMVKLBHHDDV-LJQANCHMSA-N 360.885 3.700 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 39667683 RNELHSAIKJQLDK-AQDCRGGLSA-N 364.489 3.620 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c1C 39978532 JUMQADNBWMSDOK-LBPRGKRZSA-N 371.462 3.861 0 40 FHAB COc1cc(C(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)ccc1C 40039801 ZAJHXNJQBZLLTC-KRWDZBQOSA-N 355.434 3.998 0 40 FHAB CCOC(=O)CCCCCCC(=O)c1cc(OC)c(OC)cc1OC 43214413 OJHAOLTXJBNLSJ-UHFFFAOYSA-N 352.427 3.799 0 40 FHAB Cc1cc(OCC(=O)Nc2ccc(Cl)cc2)nc(N2CCC(C)CC2)n1 44169953 HNTPCJNJVYPNLA-UHFFFAOYSA-N 374.872 3.692 0 40 FHAB Cc1ccc(Oc2ccc(N(C)S(=O)(=O)c3ccc(F)cc3)cc2)nn1 44213786 ZALZEJLMXSWKDM-UHFFFAOYSA-N 373.409 3.542 0 40 FHAB Cn1ncc2c1CCC[C@H]2NC(=O)Nc1ccccc1OC1CCCC1 47600503 FRMSYQFPDOCECK-MRXNPFEDSA-N 354.454 3.941 0 40 FHAB Cc1ccc(C(=O)CCC(=O)N[C@H](c2ccccc2)c2nccn2C)s1 48234941 DYAXFRZBCIZGLM-LJQANCHMSA-N 367.474 3.659 0 40 FHAB COc1cc(C)ccc1Oc1ccc(NC(=O)N2C[C@H](C)O[C@H](C)C2)cn1 48239905 IFLPWIRYBINGDC-GASCZTMLSA-N 371.437 3.832 0 40 FHAB Cc1ccccc1OCC(=O)N1CCC[C@@H](COCc2ccccc2)C1 49031516 OJAJRBFGDCCTKE-HXUWFJFHSA-N 353.462 3.829 0 40 FHAB COc1ccc(CCNC(=O)c2cc(C(C)C)nc3onc(C)c23)cc1 49544207 SZGHCEDUNHQPFV-UHFFFAOYSA-N 353.422 3.636 0 40 FHAB Cc1ccn(-c2ccc(C(=O)Nc3ccc4c(C)cc(=O)oc4c3)cc2)n1 49574305 DXSVDBITTYCRGT-UHFFFAOYSA-N 359.385 3.848 0 40 FHAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@@H](C)[C@H]3CCCO3)c12 49674622 SBQCBPZAYSJTFJ-YVEFUNNKSA-N 370.497 3.669 0 40 FHAB CCc1ccc(N(C)S(=O)(=O)c2ccc(Br)cc2)cc1 49976638 SLEZELOOLOXAAB-UHFFFAOYSA-N 354.269 3.837 0 40 FHAB CC(C)CCOc1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1 53524403 QVMCMVYPYXNNCK-UHFFFAOYSA-N 351.410 3.544 0 40 FHAB O=C(CSc1nncs1)Nc1cc(Cl)ccc1N1CCCCC1 54925213 PTHQROHDWOQYSY-UHFFFAOYSA-N 368.915 3.913 0 40 FHAB Cc1ccccc1-n1nc(C)c(CN(C)C(=O)Cc2c(C)noc2C)c1C 55492932 DBPUBTJNTKFLAC-UHFFFAOYSA-N 366.465 3.604 0 40 FHAB CCNC(=O)c1ccc(NCc2nc(-c3ccc(CC)cc3)no2)c(C)c1 55881684 HZAROUIKYWPMAU-UHFFFAOYSA-N 364.449 3.969 0 40 FHAB C[C@@H]1c2cccn2CCN1CC(=O)N[C@@H](c1ccccc1)c1cccs1 57270720 BRFFVOUIJCKQQV-IERDGZPVSA-N 365.502 3.832 0 40 FHAB COc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)n[nH]2)c(OC)c1 57477333 SVQRJMHXIZBOSR-ZDUSSCGKSA-N 351.406 3.585 0 40 FHAB CCn1cc(NC(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cn1 58159185 SDDXAESQLKOQHD-UHFFFAOYSA-N 370.432 3.529 0 40 FHAB C[C@@H](Sc1nnc(C2CC2)n1CCC(N)=O)c1ccc(F)c(Cl)c1 58167501 LXUONINPXCTACV-SECBINFHSA-N 368.865 3.677 0 40 FHAB CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc3ccccc3n2)C1 58179443 MKYNNKDOJYXUCB-GOSISDBHSA-N 367.493 3.784 0 40 FHAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)N1CCc2ccccc2C1 67952469 ZZZKCMGAQPIICR-DYVFJYSZSA-N 352.409 3.619 0 40 FHAB O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1cc(C2CC2)[nH]n1 69370069 RRSCKKQCODSPMG-UHFFFAOYSA-N 362.886 3.746 0 40 FHAB O=C(CCSc1ccc(Cl)cc1)Nc1cccc(-c2nnn[nH]2)c1 70731392 BXLBMUJFCZZXNG-UHFFFAOYSA-N 359.842 3.641 0 40 FHAB Clc1ccc(Oc2cncc([C@H]3CCCN3Cc3ncc[nH]3)n2)cc1 72384349 NNRUEEHTQSBUNM-MRXNPFEDSA-N 355.829 3.983 0 40 FHAB CCc1cccc(S(=O)(=O)N(C)[C@@H]2CCCc3nc(C)sc32)c1 81054684 LNGYFGNLTYGKRQ-MRXNPFEDSA-N 350.509 3.712 0 40 FHAB COc1ccc([C@H](C)NC(=O)c2ccc(-c3noc(C)n3)cc2)c(OC)c1 84281492 ASOSYRUIDZOGLB-LBPRGKRZSA-N 367.405 3.553 0 40 FHAB O=C(NCc1cn2ccsc2n1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 84502058 ZAQRGZCSXPRORH-STQMWFEESA-N 365.380 3.835 0 40 FHAB O=C(OC[C@H]1CO[C@@H](c2ccc(Cl)cc2)O1)c1cccnc1Cl 95448043 OZKDOJINVUWBPS-BLLLJJGKSA-N 354.189 3.659 0 40 FHAB Cn1cc(C(=O)N[C@@H]2CCCc3c2[nH]c2ccccc32)c2ccccc2c1=O 96232505 HGQHDICSDYINNC-HXUWFJFHSA-N 371.440 3.827 0 40 FHAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccccc4)cc3)C(=O)[C@H]2C1 100305749 QHQUZFGBAVHGEG-OALUTQOASA-N 360.413 3.785 0 40 FHAB Cc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1ccc(Cl)cc1F)CCC2 111365869 QTMPQEVAVUVCSV-CYBMUJFWSA-N 374.890 3.942 0 40 FHAB CCN(c1ccc(C(=O)Nc2cccc(Cl)c2)cc1)S(=O)(=O)CC 222390027 FCORMJPSZHUUIB-UHFFFAOYSA-N 366.870 3.768 0 40 FHAB Cc1ccc(CNC(=S)Nc2ncc(Br)cc2C)cc1 223943035 RWQBVZFGDLGAEQ-UHFFFAOYSA-N 350.285 3.948 0 40 FHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1CCCCCC1 224489310 RYBIELRACLVJJD-GOSISDBHSA-N 358.526 3.715 0 40 FHAB O=C(CC1CCCC1)N1CCC2(CC1)OCC[C@H]2CCOc1ccccn1 247875998 TVLYUWTWUXMRSD-LJQANCHMSA-N 372.509 3.829 0 40 FHAB CC(C)[C@@H]1C=CC[C@](C)(O)C[C@@H]2O[C@]2(C)C[C@@H]1OC(=O)c1ccc(O)cc1 254848358 JJEBKVFRHNKOBW-YOWRRBNZSA-N 374.477 3.838 0 40 FHAB O=C(c1ccc2ccccc2n1)N1CCCC[C@@H]1c1ccn2ccnc2n1 257226268 FJXUBHFWPXSLIM-LJQANCHMSA-N 357.417 3.645 0 40 FHAB O=C(c1ccc(Cl)cc1)N1CCC(N2CCc3ccccc3C2=O)CC1 257270721 MVKDOHKMXQLDBX-UHFFFAOYSA-N 368.864 3.643 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N[C@H](C)C(C)C)cc1 260897420 LTXFBNQXEKCZNK-MRXNPFEDSA-N 374.506 3.594 0 40 FHAB CC(C)CN1CCO[C@]2(CCCC[C@H]2NC(=O)/C=C/c2cccs2)C1 306132714 LQBGODNFXGGIAW-NREOILKTSA-N 362.539 3.547 0 40 FHAB Cc1cc(CNC(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)cc(C)n1 563850688 BZPMBKVFXUFPLB-FQEVSTJZSA-N 365.477 3.762 0 40 FHAB C[C@H]1CN(C)[C@H](C)CN1C(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 1264016747 YMBMJWTUEDXIQC-MNOVXSKESA-N 368.264 3.813 0 40 FHAB O=C(Nc1cc(F)ccc1F)N1CCC(Cc2nc(C3CC3)no2)CC1 1888869452 RWZJDGNNNXMSHP-UHFFFAOYSA-N 362.380 3.712 0 40 FHAB C[C@@H]1CCCCN1Cc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 644238 PZYQKUFPOIKOIJ-OAHLLOKOSA-N 351.425 3.899 0 40 FHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(C)c1 888224 DQOWFRFDIKRQHA-UHFFFAOYSA-N 366.490 3.928 0 40 FHAB CCOc1ccc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1 895383 XWWYGDWDBVTROO-UHFFFAOYSA-N 353.374 3.518 0 40 FHAB biogenic O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(c2ccc(F)cc2)CC1 1034300 KDVAPBJJVVWWGJ-UHFFFAOYSA-N 357.816 3.923 0 40 FHAB COc1ccccc1N[C@@H](NC(=O)c1cccs1)C(=O)c1ccccc1 1452557 VGBWQJLQVBTLMO-IBGZPJMESA-N 366.442 3.808 0 40 FHAB COc1ccccc1-c1nnc(SCCOc2cccc(C)c2)n1C 2656504 ZDEBAZJLKVFGOO-UHFFFAOYSA-N 355.463 3.970 0 40 FHAB Cc1c(CC(=O)NCCC(C)C)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 4089615 CDMXWKWGOUUYJX-UHFFFAOYSA-N 371.477 3.910 0 40 FHAB biogenic COc1ccc2nc(SCC(=O)N[C@@H](C)CCc3ccccc3)[nH]c2c1 4274357 JVSDKDKENCKJAA-AWEZNQCLSA-N 369.490 3.801 0 40 FHAB COc1cc2ccnc(-c3n[nH]c4cc(OC)c(OC)cc34)c2cc1OC 4387164 LJSFVXBGXNZFDQ-UHFFFAOYSA-N 365.389 3.813 0 40 FHAB CCn1c(SCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)nnc1-c1ccco1 4516361 UAPNSWMYBYAONS-IHRRRGAJSA-N 362.499 3.591 0 40 FHAB CCOC(=O)c1c(N/C=C2/C(=O)N(C)c3ccccc32)sc(C)c1C 4821753 JRGVJXGEFSAEFV-GXDHUFHOSA-N 356.447 3.971 0 40 FHAB COc1cccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c1OC 4848663 KADSIFKJWNRZFN-UHFFFAOYSA-N 360.435 3.568 0 40 FHAB Cc1c(CC(=O)O)c(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12 4993855 WGEAMUJSZQHZPP-UHFFFAOYSA-N 358.777 3.961 0 40 FHAB c1cc(CSc2nc3c(ccc4nsnc43)[nH]2)c2nsnc2c1 5130814 SXSXTRDGMFDHBR-UHFFFAOYSA-N 356.461 3.865 0 40 FHAB O=C(CSc1nccn1-c1cccc(F)c1)NCCc1cccs1 5270611 CRRKXYNQWKXFCA-UHFFFAOYSA-N 361.467 3.524 0 40 FHAB Cc1ccc(-c2cc(C(=O)Nc3nnc(C(C)C)s3)[nH]n2)c(O)c1C 5341876 XEYSUDMUOHMFOE-UHFFFAOYSA-N 357.439 3.626 0 40 FHAB Cc1nnc(SCC(=O)N[C@@H](C)c2cccs2)n1-c1ccccc1 6109211 WOPAIBSYQSEHHT-LBPRGKRZSA-N 358.492 3.607 0 40 FHAB CCCc1cc(=O)[nH]c(SCCOc2ccc(Br)cc2)n1 6313752 FSTOCHXYXNRUEG-UHFFFAOYSA-N 369.284 3.656 0 40 FHAB CCn1c(C)cc(C(=O)COC(=O)c2ccc(Br)o2)c1C 6612213 JIKOBKKPZFSPMH-UHFFFAOYSA-N 354.200 3.520 0 40 FHAB CCN(CC)Cc1ccc(NC(=S)NC(=O)c2ccc(OC)cc2)cc1 6629887 PJCZCCQBNVUOCT-UHFFFAOYSA-N 371.506 3.664 0 40 FHAB CC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c1 7055979 XAXDAQFJIPHKKI-UHFFFAOYSA-N 359.325 3.589 0 40 FHAB CCOCCCn1c(SCc2c(C)noc2C)nc2ccccc2c1=O 7141441 BCKGBYIKQLJJRG-UHFFFAOYSA-N 373.478 3.720 0 40 FHAB CCCn1nnnc1NCc1ccc(OCc2ccccc2Cl)cc1 7263405 AFTFYTFPFIQHQC-UHFFFAOYSA-N 357.845 3.928 0 40 FHAB CCc1nnc(S/C(=C\c2cc(Cl)cc(Cl)c2O)C(=O)O)o1 7342648 LYOJTAMCJSAEID-WTKPLQERSA-N 361.206 3.862 0 40 FHAB COc1ccccc1NC(=O)[C@H](C)N(C)Cc1nc2ccccc2s1 7689873 CBTQEXGDIWFFPC-ZDUSSCGKSA-N 355.463 3.764 0 40 FHAB COc1ccccc1NC(=O)Nc1cc(Cl)ccc1N1CCOCC1 8428400 ZTEHZDLNCVXYES-UHFFFAOYSA-N 361.829 3.829 0 40 FHAB COCc1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1 8495540 XWGBHBOZGOKLBJ-UHFFFAOYSA-N 359.447 3.812 0 40 FHAB CCc1ccc(O[C@@H](C)C(=O)Nc2nonc2-c2ccc(OC)cc2)cc1 8916165 NMUCUHVVFLYPAI-ZDUSSCGKSA-N 367.405 3.714 0 40 FHAB O=C(CCNC(=O)Nc1ccccc1)Nc1ccc(Br)cc1 9054369 CFNGAAMQBCTWJK-UHFFFAOYSA-N 362.227 3.599 0 40 FHAB O=C(CSc1ccc2c(c1)OCCO2)Nc1cccc2ncccc12 9478657 FRFQMZOWRZQXOX-UHFFFAOYSA-N 352.415 3.737 0 40 FHAB O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc2c(c1)OCCCO2 9690694 BIEPGJWMHGMYLH-UHFFFAOYSA-N 367.430 3.543 0 40 FHAB C[C@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(F)c(F)c1 10842248 WITPWUTVYKMZES-NSHDSACASA-N 359.376 3.752 0 40 FHAB Cc1cc2nc(C3CCN(Cc4ccccc4Cl)CC3)cc(N)n2n1 12121510 VXVXZZOYZUONIV-UHFFFAOYSA-N 355.873 3.653 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 12293773 HPPKWSBYJVWWPV-INIZCTEOSA-N 352.434 3.637 0 40 FHAB COc1ccccc1NC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 12564645 PWGMBDRLVPODKF-VQIMIIECSA-N 351.450 3.843 0 40 FHAB Cc1ccccc1CN1CCN(C(=O)NCc2cccc(Cl)c2)CC1 12793746 VLMJINDRIFXXML-UHFFFAOYSA-N 357.885 3.676 0 40 FHAB O=C(Cc1ccc(Br)cc1)NCc1ccccc1OC(F)F 12826121 GLUKTCGMUJFBRK-UHFFFAOYSA-N 370.193 3.909 0 40 FHAB CSCc1ccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1 12864563 YUWPCMQVNPKKBH-UHFFFAOYSA-N 354.475 3.828 0 40 FHAB Cc1ccc(Oc2ccc(NC(=O)C[C@H]3CCS(=O)(=O)C3)cc2)cc1 12925272 IIFLOEAKJBOHKP-OAHLLOKOSA-N 359.447 3.551 0 40 FHAB COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@@]2(C)C(=O)CC[C@@]32O)C1 13406842 JQRLVXRTTRZQBF-DUSPRFQMSA-N 350.499 3.702 0 40 FHAB CCOc1ccc2cc(CNc3cc(OC)cc(OC)c3)c(=O)[nH]c2c1 13561368 WJAKXYGAIQDKRL-UHFFFAOYSA-N 354.406 3.556 0 40 FHAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)N1CCCc2ccccc21 14158692 UFEPAJJMBLDBLP-LLVKDONJSA-N 360.508 3.572 0 40 FHAB COc1ccc(OC)c(NC(=O)COc2ccc(F)c3c2C(=O)C[C@@H]3C)c1 14183001 URPXOUUFLBKSRS-NSHDSACASA-N 373.380 3.550 0 40 FHAB C[C@H](OC(=O)c1cc(Br)c[nH]1)C(=O)Nc1ccccc1Cl 14198414 ZGKUXDBJRDTKTC-QMMMGPOBSA-N 371.618 3.615 0 40 FHAB O=C(Nc1ccccc1O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 14780089 RRKUPHJTEDSBJE-UHFFFAOYSA-N 351.381 3.848 0 40 FHAB COc1ccc(NC(=O)c2c(C)nn(CC(C)C)c2Cl)cc1OC 14797002 JCAZDIRXRYGOJW-UHFFFAOYSA-N 351.834 3.770 0 40 FHAB CCC(=O)Nc1cccc(NC(=S)NC(=O)c2cc(C)cc(C)c2)c1 17073487 KEIDHSFXHIDRQQ-UHFFFAOYSA-N 355.463 3.779 0 40 FHAB CCn1ncc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1C 17073489 RTLBBJWUDJFBHO-UHFFFAOYSA-N 355.463 3.607 0 40 FHAB Cc1cccc(CC(=O)N2CCCC[C@H]2c2n[nH]cc2-c2cc(C)no2)c1 19234728 UASHYVQOQPZGMN-SFHVURJKSA-N 364.449 3.978 0 40 FHAB CC(C)CN1CCC[C@H]([C@@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 19447170 ZRRGUCMWVIAMDN-NZQKXSOJSA-N 365.521 3.850 0 40 FHAB CCCCN1CCC[C@@](C[C@@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)O)C1 19502258 RWEPBTHRJRNWLQ-PXNSSMCTSA-N 362.445 3.676 0 40 FHAB CCCn1ncc(C(=O)N2CCC(c3cc4ncccc4cn3)CC2)c1C 19525863 AJMFNTITULQRBB-UHFFFAOYSA-N 363.465 3.565 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)N3CCc4[nH]c5ccccc5c4C3)cn2)n1 19656326 YJRVYURXUVDUOI-UHFFFAOYSA-N 371.444 3.564 0 40 FHAB CN(C)[C@H](C(=O)NCc1ccccc1N1CCCC1)c1ccc(Cl)cc1 19716703 ZYODGASMWWJPKH-FQEVSTJZSA-N 371.912 3.859 0 40 FHAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1cncc(Br)c1 20143518 HLDYMNYFADBVOI-UHFFFAOYSA-N 373.206 3.849 0 40 FHAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)COc1ccc(OC)cc1 20488704 IMXNTLVSMJAEAI-OXJNMPFZSA-N 357.450 3.745 0 40 FHAB COc1ccc([C@H]2CC(=O)c3cn4nc(-c5ccccc5)nc4nc3C2)cc1 20671610 VMVUOTKBIRGYGX-MRXNPFEDSA-N 370.412 3.713 0 40 FHAB COc1ccc(CC(=O)N2CCCC[C@H]2CCN2CCCCCC2)cc1 21170947 PDCRVGCUNMFCMT-FQEVSTJZSA-N 358.526 3.885 0 40 FHAB O=C(OCc1nc2ccccc2s1)c1cncn1-c1ccc(F)cc1 21509154 FLHQMIWXTMPIDM-UHFFFAOYSA-N 353.378 3.978 0 40 FHAB O=C(Nc1ccc(F)c(Cl)c1)c1cn2c3c(cccc3c1=O)CCC2 22235292 HRLJCMRBTKGBJB-UHFFFAOYSA-N 356.784 3.993 0 40 FHAB CSc1ccc(-c2noc(CN3C(=O)COc4cc(C)ccc43)n2)cc1 23126089 VINWUJFCHJRJIA-UHFFFAOYSA-N 367.430 3.693 0 40 FHAB O=C(CCCSc1ccc(Cl)cc1)NCCc1nnc2ccccn12 23804758 FUXGWYAXINMIJB-UHFFFAOYSA-N 374.897 3.614 0 40 FHAB COc1ccc(-c2nc(C(=O)N[C@H](C)c3cccnc3)cs2)cc1OC 25254257 XGABSTQCNIFNHT-GFCCVEGCSA-N 369.446 3.713 0 40 FHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)O[C@H](C)C(=O)N(C(C)C)C(C)C 26262391 SKZLVPXLAZQYAD-OAHLLOKOSA-N 374.485 3.511 0 40 FHAB O=C(Nc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1)c1cnccn1 28221596 VDPAKGCMTFECPP-UHFFFAOYSA-N 361.336 3.585 0 40 FHAB COc1ccc(C(=O)NCc2ccc(-c3nc4cnccc4o3)cc2)cc1 32071084 DAHPSPWHXRCHRV-UHFFFAOYSA-N 359.385 3.828 0 40 FHAB O=C(Nc1ccc(F)cc1)[C@H]1CC(O)=Nc2cc(-c3ccc(F)cc3)nn21 32072293 VEZWGRDMWTUPJY-MRXNPFEDSA-N 368.343 4.000 0 40 FHAB O=C(CCCNC(=O)c1ccsc1)NCc1cccc(C(F)(F)F)c1 32727252 HAFMJHUNBVSQSO-UHFFFAOYSA-N 370.396 3.593 0 40 FHAB CCn1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c2ccccc21 32784666 LPZDHCXLMPPBDI-CQSZACIVSA-N 350.418 3.923 0 40 FHAB CC(C)C[C@H](NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)c1cccs1 40157308 UMBBGWIZUPAWHY-BBRMVZONSA-N 370.474 3.636 0 40 FHAB COc1cccc(-c2noc(CCC(=O)N[C@H](C)c3ccccc3)n2)c1 41185245 AAJQZISNZWWRGP-CQSZACIVSA-N 351.406 3.555 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1F 42986633 FJZNCPPEKZPSPU-KRWDZBQOSA-N 359.426 3.536 0 40 FHAB CC(C)N1CCC(NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)CC1 43006414 UUIHFSBMIOWREW-GFCCVEGCSA-N 359.297 3.750 0 40 FHAB CC(=O)Nc1cccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)c1 46898010 HIMFIEUNLYDWOH-UHFFFAOYSA-N 354.797 3.736 0 40 FHAB CC(C)c1ccc(-c2noc(CCC(=O)N3CCO[C@H]4CCC[C@H]43)n2)cc1 53382980 JKCLLZDBHDNLQW-MSOLQXFVSA-N 369.465 3.573 0 40 FHAB Cc1ccc2c(CC(=O)Nc3cccc(Cn4ccnc4)c3)cc(=O)oc2c1 62581655 AAKHLDHQISRDFA-UHFFFAOYSA-N 373.412 3.527 0 40 FHAB C[C@H]1CCN(C(=O)CN(C[C@@H](C)O)c2ccccc2)c2ccccc2S1 65489639 AZQZMLGEHXFTPP-SJORKVTESA-N 370.518 3.791 0 40 FHAB CC(C)Oc1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)cn1 70037714 RAIBEHAVGCMNHK-FQEVSTJZSA-N 368.433 3.521 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(NC3CC3)nc2)cc1 72213816 KUEWRVFTXQEPFM-LJQANCHMSA-N 371.506 3.880 0 40 FHAB CC(C)(C)OC(=O)NCCCCC(=O)c1ccc(N2CCCCC2)nc1 72216082 BSVAETFPXWCIGA-UHFFFAOYSA-N 361.486 3.950 0 40 FHAB Cc1cc([C@@H]2CCCCN2Cc2ccccc2)cnc1N1CCOCC1 72219366 XTKDACQDOJWGEJ-NRFANRHFSA-N 351.494 3.954 0 40 FHAB CCc1ccc(O)c(NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)c1 72307573 DRYYTTMJINTTCY-HXUWFJFHSA-N 352.434 3.647 0 40 FHAB Cc1cccnc1Nc1nccc([C@H]2CCCN(Cc3cccnc3)C2)n1 72377635 AGMKHWWJXPODCX-SFHVURJKSA-N 360.465 3.698 0 40 FHAB CNC(=O)CC1CCN(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 74832612 GMIVXENLGJNCGG-NSHDSACASA-N 372.296 3.612 0 40 FHAB CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)Nc1ccc(OC)cc1 76091868 SQHHGZLWGLUIIZ-UHFFFAOYSA-N 365.474 3.900 0 40 FHAB Cc1cc([C@@H](C)NC(=O)[C@H](CC(C)C)N2CCCCC2=O)c(C)s1 79069433 WUVCUIQVMSZOAD-PBHICJAKSA-N 350.528 3.969 0 40 FHAB CCOC(=O)c1cnc2ccc(C(=O)OC(C)C)cc2c1Br 85386576 RKLILUFUIJONMR-UHFFFAOYSA-N 366.211 3.739 0 40 FHAB CC(C)(C)OC(=O)N1CCC(Oc2ccc(Br)cn2)CC1 95083558 ZDWUDTMOOQHRFB-UHFFFAOYSA-N 357.248 3.622 0 40 FHAB CC(C)N(C)c1cccc(NC(=O)[C@H]2CCCCN2Cc2ccncc2)c1 95955954 PLPFYONPJUVIRK-OAQYLSRUSA-N 366.509 3.919 0 40 FHAB CC(C)Cc1sc(Cl)nc1C(=O)N1CCN(c2ccccc2)CC1 96230798 PVLBCPHREAZELK-UHFFFAOYSA-N 363.914 3.957 0 40 FHAB CC(C)n1nnc(-c2ccc(C(=O)Nc3cccc4c3ccn4C)cc2)n1 96232563 VAHPYJMQWQHGBY-UHFFFAOYSA-N 360.421 3.665 0 40 FHAB Cc1cccc(COC[C@H]2C[C@H]3[C@@H](C2)OCCN3Cc2ccsc2)n1 96250705 XODIJQKKRQVUFQ-YSIASYRMSA-N 358.507 3.648 0 40 FHAB O=C1OC(c2cccc(OC(F)F)c2)=N/C1=C/C1=Cc2ccccc2OC1 96935615 XTGUQOWUIJYODM-CXUHLZMHSA-N 369.323 3.951 0 40 FHAB O=C1c2ccccc2N[C@@]2(C(=O)Nc3ccccc32)N1c1ccc(F)cc1 101621199 PDZBQSWIKRBOKS-OAQYLSRUSA-N 359.360 3.703 0 40 FHAB CC[C@@H](Oc1ccccc1OC)C(=O)NCc1cccc(OC(C)C)c1 113960874 QQFGJBGRFGHRDT-GOSISDBHSA-N 357.450 3.956 0 40 FHAB CC[C@@H](Oc1ccccc1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 222859855 XQWBXSDKMKEWMM-GOSISDBHSA-N 357.450 3.956 0 40 FHAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2 223437759 QUWRBRNDGRZPCV-UHFFFAOYSA-N 371.867 3.634 0 40 FHAB Cc1cccc(CN(C(=O)Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c1 224144056 CVAUWYBSDXPLAS-IBGZPJMESA-N 366.505 3.727 0 40 FHAB COc1ccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c(OC)c1 225204722 MVJSRNPEKAOSEF-CQSZACIVSA-N 355.434 3.989 0 40 FHAB Cc1cc(C)n(Cc2ccc(C(=O)NCCSCc3ccco3)cc2)n1 225287159 WOAZNKDUPXUJHJ-UHFFFAOYSA-N 369.490 3.804 0 40 FHAB CCOc1ccccc1NC(=S)NCCCN1CCc2ccccc2C1 225742482 VSKUHWRLJJPQDV-UHFFFAOYSA-N 369.534 3.820 0 40 FHAB CCC[C@](C)(OC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 225796205 AIFKUULCAGBSEC-YJYMSZOUSA-N 351.443 3.794 0 40 FHAB CC(C)Oc1ccc(NC(=O)C2(C)COC(=O)OC2)cc1C(F)(F)F 225953440 MVJZLZPAFIBLIR-UHFFFAOYSA-N 361.316 3.604 0 40 FHAB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)CCSc1ccccc1 238831699 GBGDWBMZUQQUNE-NRFANRHFSA-N 371.502 3.518 0 40 FHAB O=C(c1cccs1)N1Cc2cccn2[C@H](CCOCC2CCOCC2)C1 247967984 ZZEBAPFFDUHKIY-GOSISDBHSA-N 374.506 3.580 0 40 FHAB Cc1cnccc1CN1CCO[C@@H](c2cccc(-c3c(C)noc3C)n2)C1 257271145 MXARIFKTAXVVQM-HXUWFJFHSA-N 364.449 3.630 0 40 FHAB O=C(c1ccc(F)cc1)N1CC[C@@]2(CCn3c(-c4cccs4)cnc32)C1 306144325 ZCJIZWXZEFUPDM-HXUWFJFHSA-N 367.449 3.938 0 40 FHAB O=C(NCC1(C(F)(F)F)CC1)c1cncc(-c2ccc3c(c2)CCO3)c1 566812588 JTLMOJMDKQRLJH-UHFFFAOYSA-N 362.351 3.756 0 40 FHAB C[C@@H]1CCN(C(=O)CN2C(=O)CCc3ccccc32)[C@H](c2ccco2)C1 608486715 IZGNJYKXNQMZMQ-QAPCUYQASA-N 352.434 3.559 0 40 FHAB CO[C@@H](Cn1ccc(=O)c2cc(Oc3ccccc3)ccc21)[C@H]1CCOC1 664021886 JBLQQKTWFMNXEX-AOMKIAJQSA-N 365.429 3.845 0 40 FHAB O=C(c1c(Br)cccc1I)C(F)F 1083809811 MJBRTETUODKCBQ-UHFFFAOYSA-N 360.923 3.502 0 40 FHAB c1ccc(CCSCc2nnc3sc(-c4cccnc4)nn23)cc1 1501039941 NFSSIPHTJVPGSM-UHFFFAOYSA-N 353.476 3.724 0 40 FHAB COc1cccc2cc(C(=O)N[C@H](C)c3ccc4nc(O)oc4c3)oc12 1543385991 HQCGADCGVDNTMA-SNVBAGLBSA-N 352.346 3.779 0 40 FHAB Cc1cccc(N(C(=O)c2nn(-c3ccc(F)cc3)ccc2=O)C(C)C)c1 1776002268 SFFXFQIOWPSYSZ-UHFFFAOYSA-N 365.408 3.735 0 40 FHAB Cc1noc(C)c1CN1CCC[C@H](N(C)c2ncccc2C(F)(F)F)C1 1889102924 FGNUTJNXSUXVOV-AWEZNQCLSA-N 368.403 3.806 0 40 FHAB COc1cccc(CN2CCC(c3cn4cccc4c(N(C)C)n3)CC2)c1 2037838485 JFHCNEXGWILGKT-UHFFFAOYSA-N 364.493 3.789 0 40 FHAB COc1ccc(OC)c(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 23144938 AZMYJCWMBINYSZ-UHFFFAOYSA-N 355.390 3.998 0 40 FHAB Cc1c(Br)c(C(F)F)nn1CC(=O)N1[C@H](C)CCC[C@H]1C 2778488 QDMYBVIRZVFQMJ-RKDXNWHRSA-N 364.234 3.681 0 40 FHAB COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)N(C(C)C)C(C)C)n2)cc1 7866774 LAEHHXVFCYLMRC-ZDUSSCGKSA-N 362.499 3.606 0 40 FHAB O=C(Nc1ccc(N2CCOCC2)nc1)c1cc2c(s1)CCCCC2 24904381 DZRCNOAUMJAFDQ-UHFFFAOYSA-N 357.479 3.501 0 40 FHAB COc1ccc([C@H]2OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc1OC 59588961 AWOGQCSIVCQXBT-YJPXFSGGSA-N 370.401 3.508 0 40 FHAB biogenic,in-vitro CC(=O)Nc1cccc(-n2c(S[C@@H]3CCCCC3=O)nnc2C2CC2)c1 26132120 LDDBMZCXNQRPLY-QGZVFWFLSA-N 370.478 3.707 0 40 FHAB CCOC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccco1)n2CC 3283937 MKMKYIKYAGSXDJ-UHFFFAOYSA-N 358.419 3.801 0 40 FHAB CCN1C(=O)[C@H](C(=O)Nc2cccc(C)c2)[C@@H]2C[C@]1(C)Oc1ccccc12 100632510 ONJDWDQDFWVAMC-LZNRXBQRSA-N 364.445 3.694 0 40 FHAB C[C@@H]1C[C@H]1c1ccc(CN(C)Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)o1 57362921 PKAGFHIPFKICOO-BXUZGUMPSA-N 369.490 3.822 0 40 FHAB CC(C)c1ccc(NC(=O)COC(=O)c2cc3ccccc3oc2=O)cc1 3221978 GAHOQPXAHHBNOC-UHFFFAOYSA-N 365.385 3.712 0 40 FHAB COc1ccc2cc(C(=O)OCC(=O)Nc3cccc(C)c3)c(C)nc2c1 3270965 OQHBHLBSQYVSEK-UHFFFAOYSA-N 364.401 3.656 0 40 FHAB CCN(C(=O)C[C@H](NC(N)=O)c1cccs1)[C@@H](C)c1ccc(F)cc1 58244106 AJMZYIZHQXOVKJ-WFASDCNBSA-N 363.458 3.596 0 40 FHAB COc1ccc(CCC(=O)Nc2ccc(Oc3ncccn3)cc2)cc1F 48202120 IZHOHQCULYIHGM-UHFFFAOYSA-N 367.380 3.988 0 40 FHAB COc1ccc(CNC(=O)c2ccc(OCCC(C)C)cc2)cc1C(=O)O 12775467 MDVHDPUTNOGRDW-UHFFFAOYSA-N 371.433 3.748 0 40 FHAB C[C@@H](NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1)[C@H]1C[C@@H]2CC[C@@H]1C2 101616262 BBSVCYAZNREFTL-HBJVGIJOSA-N 355.404 3.720 0 40 FHAB CCn1nccc1CN(C)C(=O)c1ccc(COc2cccc(C)c2)o1 28239120 SPZFRPJBNKMMPJ-UHFFFAOYSA-N 353.422 3.656 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)OC(=O)Cc2ccc(-c3ccccc3)cc2)on1 10999183 UGKVAWFJIDCDRO-OAHLLOKOSA-N 364.401 3.763 0 40 FHAB Cn1ccnc1Sc1ccc(NC(=O)c2ccc([S@](C)=O)cc2)cc1 58889021 GUVAFADYXUEHTD-RUZDIDTESA-N 371.487 3.561 0 40 FHAB O=S(=O)(c1cc(Cl)c(Br)cc1Cl)N1CCCCC1 54363461 XGTJLYJTGXMFRV-UHFFFAOYSA-N 373.099 3.931 0 40 FHAB O=C1C[C@H](Nc2ccccc2F)C(=O)N1c1ccc(Cl)c(Cl)c1 101277184 YLPBFDAVZXKHDK-AWEZNQCLSA-N 353.180 3.877 0 40 FHAB CCn1c(SCC(=O)N2CCCCC2)nnc1-c1cc2ccccc2o1 11410895 WICNJLQYCWPJBQ-UHFFFAOYSA-N 370.478 3.816 0 40 FHAB Cc1[nH]c(=S)n(-c2ccc(Oc3ccccc3)cc2)c(=O)c1CC(=O)O 20156397 OCNGRNDGPQGPCU-UHFFFAOYSA-N 368.414 3.623 0 40 FHAB COc1cc2cc(C(=O)N[C@H](C)c3ccc(C)o3)[nH]c2c(OC)c1OC 48311561 PTQHESURHROWBA-LLVKDONJSA-N 358.394 3.586 0 40 FHAB Cc1cc(CSc2ncccc2C(=O)NCc2ccc(C)s2)no1 48334030 FDWZJASEDJAJPV-UHFFFAOYSA-N 359.476 3.970 0 40 FHAB CCN(C[C@@H]1CCCO1)C(=O)c1cccc(NC(=O)c2cccs2)c1 48308710 GSINTHOHMDDRSG-INIZCTEOSA-N 358.463 3.642 0 40 FHAB COCc1nc2nc(-c3ccccc3)nn2c(N)c1-c1ccc(Cl)cc1 20638497 RXYSDQHAJZCMBY-UHFFFAOYSA-N 365.824 3.840 0 40 FHAB Cc1nc2cc(NC(=O)Cn3c(-c4cccs4)n[nH]c3=S)ccc2o1 29796214 ZMVVOCLSVWJDRY-UHFFFAOYSA-N 371.447 3.758 0 40 FHAB COc1ccccc1-n1nnnc1SCCCc1nc2ccccc2o1 48356516 ULVBNWMDEYTOCO-UHFFFAOYSA-N 367.434 3.537 0 40 FHAB Cc1ccsc1C(=O)NCc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 48358481 HAVQKAJMTOLAMJ-HOTGVXAUSA-N 358.507 3.596 0 40 FHAB CC(C)C[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCc1cccs1 2601568 YBPMLTWXKKKJQL-DQPZFDDXSA-N 350.528 3.722 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)COc3ccccc3C(C)C)ccc21 12866907 YOWCQUBSCYLGDL-UHFFFAOYSA-N 352.434 3.737 0 40 FHAB O=C(CSc1ccccc1C(=O)Nc1ccc(Cl)cc1)NC1CC1 12821039 HWLFEQXTCUKZTK-UHFFFAOYSA-N 360.866 3.963 0 40 FHAB Cc1c(Cl)cccc1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 12813467 KRACGHXXMBKUEF-UHFFFAOYSA-N 356.809 3.550 0 40 FHAB CCCC1(CCC)NC(=O)N(Cc2cc(=O)oc3c(C)c(C)ccc23)C1=O 3459404 IBVPUDMMSBLQGW-UHFFFAOYSA-N 370.449 3.801 0 40 FHAB Cc1csc(N(C(=O)[C@H]2COc3ccccc3O2)c2ccccc2)n1 3554697 DADZRZRIXOTNOB-QGZVFWFLSA-N 352.415 3.956 0 40 FHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1CCC(C(C)(C)C)CC1 13004857 OJDITSMYUSYGND-UHFFFAOYSA-N 355.482 3.734 0 40 FHAB CC(C)Cn1ccc2cc(NS(=O)(=O)c3cccc(C(=O)O)c3)ccc21 63476070 PDFNHIKPFPPXCW-UHFFFAOYSA-N 372.446 3.796 0 40 FHAB Cc1cc(=O)[nH]c(-c2ccc(NC(=O)C3(c4ccccc4)CCC3)cc2)n1 64342505 WMNQSGBLQGJIEY-UHFFFAOYSA-N 359.429 3.806 0 40 FHAB O=C1OCC[C@H]1Sc1nnc(Cc2cccs2)n1C1CCCCC1 5213034 PMSXKLJFHAPZAJ-CQSZACIVSA-N 363.508 3.843 0 40 FHAB CCC[C@@H](C)NC(=O)COC(=O)c1ccccc1COc1ccccc1 6346368 JTROANLDWVZVCJ-MRXNPFEDSA-N 355.434 3.727 0 40 FHAB Cc1ccc(OCc2nc(C(=O)Nn3cnc4ccccc43)cs2)cc1 14068829 DQCHMBFHYOZHPP-UHFFFAOYSA-N 364.430 3.764 0 40 FHAB Cc1cc(=O)n(C[C@H]2CC(c3ccc(N(C)C)cc3)=NO2)c2ccccc12 5370500 FAZYZOFOMMIOPK-GOSISDBHSA-N 361.445 3.569 0 40 FHAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CC=C(c2ccccc2)CC1 6542043 SNNFFPBYCCAVMZ-MRXNPFEDSA-N 364.445 3.574 0 40 FHAB CCOc1ccc(-c2nnc(NC(=O)COc3ccc(Cl)cc3)o2)cc1 6507796 UPJAAECWYUAVEX-UHFFFAOYSA-N 373.796 3.806 0 40 FHAB Cc1c(C(=O)Nc2ccccc2N2CCOCC2)oc2ccc(F)cc12 9322120 NGCSJFYCNITGMC-UHFFFAOYSA-N 354.381 3.969 0 40 FHAB CCn1c(C)cc(C(=O)CSc2nncn2-c2cccc(OC)c2)c1C 9339027 OSIFTTIKRLJNAD-UHFFFAOYSA-N 370.478 3.689 0 40 FHAB Cc1cc(NC(=O)[C@H](C)Sc2nccn2-c2ccc(Cl)cc2)no1 7176848 QREGFPCCLUHLII-NSHDSACASA-N 362.842 3.941 0 40 FHAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OC(C)C)cc3)C(=O)[C@H]21 408621097 LDTLPNHMFKINFL-PSBWJHGTSA-N 365.429 3.510 0 40 FHAB Fc1ccccc1OCCOc1ncnc2ccc(Br)cc12 7653233 WGFBUONIQBNGCY-UHFFFAOYSA-N 363.186 3.989 0 40 FHAB CCOc1ccc2nc(NC(=O)CCNC(=O)OC(C)(C)C)sc2c1 7922550 NAFFHLFUNXSKEO-UHFFFAOYSA-N 365.455 3.548 0 40 FHAB Cc1[nH]c2ccc(C(=O)O[C@@H](C)C(=O)N3CCc4ccccc43)cc2c1C 7984941 OVFVYIBQFVZJMX-HNNXBMFYSA-N 362.429 3.919 0 40 FHAB Cc1ccc(CN(C)C(=O)c2ccc(CN3CCCC3=O)cc2)c(C)c1 8097523 LTCALAJQNUBFEY-UHFFFAOYSA-N 350.462 3.698 0 40 FHAB O=C(c1ccc2c(c1)OCCO2)N1CCC(c2nc3ccccc3o2)CC1 8075075 ICAWRCBGBYZUCA-UHFFFAOYSA-N 364.401 3.619 0 40 FHAB CCc1nnsc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 8156799 LXOVYHPCWQZVRY-UHFFFAOYSA-N 355.448 3.729 0 40 FHAB C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(-n2cncn2)cc1 25449629 KTFQDQSRUUTUJA-LBPRGKRZSA-N 360.339 3.777 0 40 FHAB Cc1cc(C(=O)O[C@@H](C)C(=O)N(C(C)C)C(C)C)c(C)n1Cc1ccco1 8257482 VAMNPINBHWQNDM-KRWDZBQOSA-N 374.481 3.937 0 40 FHAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@]2(O)CCC(=O)O 118931291 QIZQZYDEIVNNAA-VAHRBOLPSA-N 362.510 3.906 0 40 FHAB CC[C@@H](C)n1nccc1NC(=O)CCCNC(=O)c1ccc(Cl)cc1 69613885 PKJXJFCEZKHRJE-CYBMUJFWSA-N 362.861 3.656 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 409002564 ORHXODMKXNCMGZ-QMMLZNLJSA-N 364.489 3.723 0 40 FHAB COc1ccc(-c2[nH]c(=Nc3ccccc3)sc2CC(=O)O)cc1OC 408886858 JHKJVDLPJHAPDF-UHFFFAOYSA-N 370.430 3.620 0 40 FHAB CCc1ccc(O)c(C(=O)Nc2nc(-c3ccc(OC)cc3)ns2)c1 78848654 QDOIHIDHYALWRJ-UHFFFAOYSA-N 355.419 3.734 0 40 FHAB COc1cccc(CCCNC(=O)c2n[nH]c3c2C[C@@H](C(C)(C)C)CC3)c1 35316695 MATAJAOYUJTIGY-INIZCTEOSA-N 369.509 3.932 0 40 FHAB COC(=O)C[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccc(C)cc1 32759941 PUHWKQHJUHVUHL-QGZVFWFLSA-N 354.381 3.650 0 40 FHAB Cc1nnc(C2CCN(C(=O)c3ccccc3Br)CC2)s1 77099426 PLIMJBURKGQJGA-UHFFFAOYSA-N 366.284 3.629 0 40 FHAB O=C(C1CCCC1)N1CCN(C2CCCC2)C[C@H](Cc2ccccn2)C1 72355176 UABDZRKSNAQVDM-SFHVURJKSA-N 355.526 3.517 0 40 FHAB Cc1cc(NC(=S)NC(=O)c2ccccc2)cc(Br)c1O 226243551 LJKYYXRERLHSIL-UHFFFAOYSA-N 365.252 3.590 0 40 FHAB CCOc1ccc(CCC(=O)NCCOc2cccc(C)c2)cc1OCC 224394091 YHGMMJPSISRDIG-UHFFFAOYSA-N 371.477 3.920 0 40 FHAB COc1ccc(-c2noc(CN(C)C(=O)Cc3ccc(C)cc3C)n2)cc1 223745822 OYWUXYYYUGIWIX-UHFFFAOYSA-N 365.433 3.563 0 40 FHAB CC(C)(C)NC(=S)Nc1nc(Cl)cc(N2Cc3ccccc3C2)n1 225896862 HWDOZXZIQCOHFT-UHFFFAOYSA-N 361.902 3.735 0 40 FHAB Cc1ccc(N2N[C@](C)(c3ccccc3Br)NC2=S)cc1 225343993 OXTBJLKMFDRONV-MRXNPFEDSA-N 362.296 3.830 0 40 FHAB CC(C)Sc1nnc(NC(=O)c2ccc(CN3CCCC3)cc2)s1 224117739 ZKOLUVHLMIHZGV-UHFFFAOYSA-N 362.524 3.887 0 40 FHAB C[C@@H](NC(=O)CCCOc1ccccc1Br)c1cccnc1 47752315 DGCLKCVWRKYBPU-CYBMUJFWSA-N 363.255 3.881 0 40 FHAB CCOC(=O)c1ccc(C(=O)c2ccccc2CN2CCSCC2)cc1 85651642 CHNTVUOTRHCYRP-UHFFFAOYSA-N 369.486 3.643 0 40 FHAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(F)cc2Br)C1 47416748 VFHXSIRHPMZCBX-BETUJISGSA-N 371.294 3.686 0 40 FHAB C[C@@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc2c(c1)OCO2 225739646 BDXHBQGVVHOZRK-CQSZACIVSA-N 369.490 3.543 0 40 FHAB CCC[C@@H]1[C@H]2C(=O)N(c3ccc(CC)cc3)C(=O)[C@H]2ON1c1ccccc1 85637430 KZVSHWCSDYFGSC-AQNXPRMDSA-N 364.445 3.728 0 40 FHAB C[C@@H]1CCCN(CCCNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)C1 224265919 AUMVLAWHWLKFGS-QZTJIDSGSA-N 358.526 3.571 0 40 FHAB COc1cc(OC)cc(-c2cccc(NC(=O)[C@H]3CC34CCOCC4)n2)c1 576203728 FWQVTDRJHZOEAV-QGZVFWFLSA-N 368.433 3.521 0 40 FHAB CCCCOc1ccc(NC(=O)[C@@](C)(CCC)OC)cc1C(=O)OC 225796304 FCAXAGWRWZBIGZ-LJQANCHMSA-N 351.443 3.796 0 40 FHAB Cc1cccc(OCC(=O)Nc2cc(C)c3c(c2)C(C)(C)C(=O)N3C)c1 96182140 DTGPMJWGTWPPNT-UHFFFAOYSA-N 352.434 3.575 0 40 FHAB C[C@H]1CCCCN1Cc1ccccc1CNC(=O)c1c[nH]c2nccc-2c1 1595791796 DENDTTHRWSKQRI-INIZCTEOSA-N 362.477 3.819 0 40 FHAB C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c2cccnc2O1 333095771 DBVDSIZUSGZHNN-VMGRFDJRSA-N 358.825 3.627 0 40 FHAB COc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)cc1F 98212258 RISSXUDOZUDYAW-INIZCTEOSA-N 367.380 3.862 0 40 FHAB COc1ccc(C2(C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)CCOCC2)cc1 248250105 LPKCUCYVEZYXSX-NHAYFPRASA-N 357.494 3.684 0 40 FHAB CCCN(CCN1CCN(CC)CC1)C(=O)c1sc2ccccc2c1C 585085068 BVLFCYBRQRMDIY-UHFFFAOYSA-N 373.566 3.699 0 40 FHAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@H](c3cnccn3)C2)o1 257207263 BHALVCWRJFNXEX-HNNXBMFYSA-N 363.417 3.814 0 40 FHAB Cc1cnc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3)o2)cn1 257331575 XTKYYTTWDAZPHH-LJQANCHMSA-N 362.433 3.731 0 40 FHAB COc1ccc(CN(C)C(=O)c2cc(-c3csc(C)n3)cn2C)cc1F 32841639 KPCVTDCAYWXEFL-UHFFFAOYSA-N 373.453 3.877 0 40 FHAB C[C@H](NC(=O)c1ccc(OCc2nccn2C)cc1)c1cccc(F)c1 40143437 QGEGLIBWJGJEOW-AWEZNQCLSA-N 353.397 3.629 0 40 FHAB CCOc1ccccc1OC1CCN(C(=O)NCc2cccc(C)n2)CC1 56739166 ZOWDTALQQYTEFP-UHFFFAOYSA-N 369.465 3.542 0 40 FHAB O=C(CCC[C@@H](O)c1ccc(F)cc1)N1C(=O)CC[C@H]1c1ccccc1 213910674 UYCXTKYCCPHMEA-RBUKOAKNSA-N 355.409 3.920 0 40 FHAB O=C1C[C@@H](Nc2ccc(F)cc2)C(=O)N1c1ccc(SC(F)F)cc1 5031804 LRFSJEPLNWETRK-CQSZACIVSA-N 366.364 3.884 0 40 FHAB Cc1[nH]c2ccc(C(=O)OCC(=O)N3CC[C@H]4CCCC[C@@H]4C3)cc2c1C 12590334 XAXYFEWMZFDJEM-SJLPKXTDSA-N 368.477 3.980 0 40 FHAB C[C@H](OC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)c1ccc(F)c(F)c1 12776046 JUOSBVJVBVZMMY-LBPRGKRZSA-N 373.355 3.520 0 40 FHAB CCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccccc1F 13479933 BVSZMQPWNFKGHH-UHFFFAOYSA-N 368.408 3.728 0 40 FHAB COc1cccc2ccc(CN(CCCN(C)C)Cc3ccco3)nc12 13992886 DJDZRVNLDRELKG-UHFFFAOYSA-N 353.466 3.790 0 40 FHAB COc1cc(NC(=O)c2cccc(-n3cccc3)c2)cc(OC)c1OC 15602512 OTIMELKTDPXPGS-UHFFFAOYSA-N 352.390 3.755 0 40 FHAB CC(C)c1nnc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)s1 15935402 SVVBJOHLSHHHKN-UHFFFAOYSA-N 373.482 3.544 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 18092105 ZOFKHZUNANTZQG-ZDUSSCGKSA-N 358.825 3.873 0 40 FHAB COc1ccc(C)cc1S(=O)(=O)N1CCCCC[C@H]1c1cc(C)on1 19134449 LJYZMKCOVHZJMD-INIZCTEOSA-N 364.467 3.606 0 40 FHAB CN(CCc1ccccc1)Cc1cc(-c2ccc(F)cc2)cn2nnnc12 19586217 RPWMQNFEFYNEEK-UHFFFAOYSA-N 361.424 3.605 0 40 FHAB CC(=O)N1CCc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2C1 9034775 ALFYJLPFMLGZSO-UHFFFAOYSA-N 352.478 3.746 0 40 FHAB Cc1ccccc1-c1nnc(SCC(=O)N2CCc3ccccc32)o1 882284 XQUUIDSYNGRBMX-UHFFFAOYSA-N 351.431 3.726 0 40 FHAB Cn1nc(-c2cccc(NC(=O)Nc3cccc(Cl)c3)c2)ccc1=O 13612957 ZYJFRBXVBBZZSV-UHFFFAOYSA-N 354.797 3.745 0 40 FHAB CCc1ccc(-n2ccc(=O)c(-c3nc(-c4ccccc4OC)no3)n2)cc1 49006357 RCSXZFRRHPHFTF-UHFFFAOYSA-N 374.400 3.521 0 40 FHAB O=C(c1ccc2nsnc2c1)N1CCC(COCc2ccccc2)CC1 49028667 KCQURERIQPSCJD-UHFFFAOYSA-N 367.474 3.760 0 40 FHAB Cc1ccc(Oc2cccc(NC(=O)Cc3noc4ccccc34)c2)nn1 49372179 HEUJYJLTIVFRCK-UHFFFAOYSA-N 360.373 3.900 0 40 FHAB COc1cc([C@@H]2NC(=O)c3c(sc4c3CCCC4)N2)cc(OC)c1OC 1033202 WCTFIXSVZIDEOZ-QGZVFWFLSA-N 374.462 3.507 0 40 FHAB O=C1C[C@@H](C(=O)NCc2ccc(F)cc2C(F)(F)F)c2ccccc2N1 40134408 BPAJTQKCCMLWJV-CYBMUJFWSA-N 366.314 3.587 0 40 FHAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(Oc2ccncc2)cc1 50489153 QDBUNJVFMGCIPP-UHFFFAOYSA-N 371.396 3.939 0 40 FHAB O[C@H](CN1CCN(Cc2ccc(Cl)s2)CC1)c1ccc(F)cc1F 51261896 VNCNDDCERHDSKX-MRXNPFEDSA-N 372.868 3.531 0 40 FHAB CN1C(=O)C[C@@H](C(=O)Nc2ccccc2Br)[C@H]1c1ccccc1 20736928 FKSZVNCDGMBMRK-CXAGYDPISA-N 373.250 3.607 0 40 FHAB CCOc1ccc(Oc2ccccc2NC(=O)c2ccc(O)nn2)cc1 32996044 LQPPGNXPCUZFLK-UHFFFAOYSA-N 351.362 3.626 0 40 FHAB CSc1ccccc1NC(=O)CN(C)Cc1ccn(-c2ccccc2)n1 53257221 PRNYZZPSOMKMAG-UHFFFAOYSA-N 366.490 3.665 0 40 FHAB CCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)c(C)oc2cc1OC(C)=O 630529 WAZQKBSNIFTXNV-UHFFFAOYSA-N 366.369 3.985 0 40 FHAB biogenic CC[C@H](C)OC(=O)Cn1cnc2sc(C)c(-c3ccc(F)cc3)c2c1=O 807850 BOSVIGKNKUJLRY-NSHDSACASA-N 374.437 3.914 0 40 FHAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)CN2C(=O)N1c1cccc(Cl)c1 1295715 DZEHSYPOSQRJQI-KRWDZBQOSA-N 351.793 3.715 0 40 FHAB biogenic COc1ccc(-c2cn3cc(I)ccc3n2)cc1 1406511 AYUXAGCPNOTWDR-UHFFFAOYSA-N 350.159 3.615 0 40 FHAB COc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1 1511295 UYNSQUMTRBKOSM-DHDCSXOGSA-N 358.191 3.802 0 40 FHAB O=C(O)CNC(CSCc1ccccc1)CSCc1ccccc1 1751019 UOSSNRXGKPIMKQ-UHFFFAOYSA-N 361.532 3.896 0 40 FHAB C[C@H](SC1=NCCN1S(=O)(=O)c1ccc(F)cc1)c1ccccc1 2711464 KNWCMLRUVWCFBT-ZDUSSCGKSA-N 364.467 3.680 0 40 FHAB Cc1ccc(-n2nc3c(c2NC(=O)CC2CCCCC2)C[S@@](=O)C3)cc1 2724837 PCQJVPBIIOOPKJ-SANMLTNESA-N 371.506 3.852 0 40 FHAB Cc1nn(C[C@@H](C)C(=O)Nc2ccccc2F)c(C)c1Br 2794811 DTCFBQVJSLNWOF-SECBINFHSA-N 354.223 3.676 0 40 FHAB CCc1ccc(OCc2ccc(C(=O)N(C)Cc3ccnn3C)cc2)cc1 2796336 JFJSZQMZLHCWNT-UHFFFAOYSA-N 363.461 3.834 0 40 FHAB C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC1CCCC1 3302531 CNSDKXJVKPALHT-MRXNPFEDSA-N 351.446 3.809 0 40 FHAB CSc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2C(C)=O)cc1 3400425 BYILEXYGJPUMOF-FMIVXFBMSA-N 369.442 3.806 0 40 FHAB COc1ccc(C(=O)NCCSc2ncc(-c3ccc(F)cc3)[nH]2)cc1 4315656 HKIBOJBZFCMCLF-UHFFFAOYSA-N 371.437 3.747 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)c1ccccc1NC(=O)CCC(=O)O 4593118 GDWHJOIQDGEOFI-UHFFFAOYSA-N 360.797 3.704 0 40 FHAB COc1ccc(-c2nc(NCc3ccccc3)n(C(=O)c3ccco3)n2)cc1 4777297 NIGVKJPMVHASCL-UHFFFAOYSA-N 374.400 3.847 0 40 FHAB C[C@@H](Sc1nc(O)cc(-c2ccccc2)n1)C(=O)NCc1ccccc1 4999476 FFKFNUABAIJBCA-CQSZACIVSA-N 365.458 3.646 0 40 FHAB Cc1nnc(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)s1 5054050 HXHWFPIBOAOZQW-JENXGELISA-N 351.541 3.660 0 40 FHAB COc1cc(OC)c(N[C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1Cl 5120027 ACIDWOGTHYPIRS-RWMBFGLXSA-N 354.878 3.662 0 40 FHAB Cc1ccc2[nH]c3nc(SCC(=O)Nc4ccc(F)cc4)nnc3c2c1 5519352 QLOMRMCEFCUOHL-UHFFFAOYSA-N 367.409 3.684 0 40 FHAB CC(C)C(=O)O[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 5712740 GEAQWWCURRTMGE-VIFPVBQESA-N 354.378 3.615 0 40 FHAB C[C@@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1 6401553 NPYIFYZQDZPYJD-MRXNPFEDSA-N 351.450 3.808 0 40 FHAB CCOc1cc(C(=O)NCc2ccccc2)cc(Br)c1OC 6595507 IRRGLDZDNFTDFF-UHFFFAOYSA-N 364.239 3.786 0 40 FHAB CN(C)c1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1 6977437 KUMLDBCMWVTGPN-UHFFFAOYSA-N 367.430 3.857 0 40 FHAB Cc1nn(CN(C)Cc2ccc(F)cc2)c(=S)n1Cc1ccccc1 7141646 NZEQJSDPJNAFPS-UHFFFAOYSA-N 356.470 3.999 0 40 FHAB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ccc2c(c1)CCC2 7853897 LSCFNPDNVZSVJJ-JTQLQIEISA-N 360.508 3.720 0 40 FHAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1CCc2ccccc2C1 7903479 RGIXVTCQGJPLMV-CYBMUJFWSA-N 368.506 3.556 0 40 FHAB COc1ccccc1[C@@H](CNc1ncnc2sccc12)N1CCCC1 8338785 HCQSBKCUSLXONK-MRXNPFEDSA-N 354.479 3.949 0 40 FHAB C[C@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1cccnc1 8708291 FVXDONNFNMUWGC-ZDUSSCGKSA-N 351.431 3.886 0 40 FHAB CCCn1nc(C(=O)N2CCC[C@@H]2c2cccs2)c2ccccc2c1=O 8709036 CPRQZVGPGYEFSP-MRXNPFEDSA-N 367.474 3.845 0 40 FHAB CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(OC)cc3OC)ccc21 8728359 NFFDYJQHLBOTQE-UHFFFAOYSA-N 357.435 3.988 0 40 FHAB O=C(COc1ccccc1)N1CCc2n[nH]c(-c3ccc(Cl)cc3)c2C1 8741018 WSWZOAXYXDTCFR-UHFFFAOYSA-N 367.836 3.694 0 40 FHAB CSc1ccccc1NC(=O)CN(C)Cc1nc(-c2cccs2)no1 8936140 KEQPXJDXZHAUMP-UHFFFAOYSA-N 374.491 3.591 0 40 FHAB CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 8944469 RXKJCPHWZJILHV-UHFFFAOYSA-N 372.387 3.808 0 40 FHAB CCCN1C(=O)CCc2cc(NC(=O)CCc3ccc(OC)cc3)ccc21 9107079 PPEYICALHHPNBO-UHFFFAOYSA-N 366.461 3.956 0 40 FHAB CCCCC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3CC)C2)s1 9224807 DVSFCRDRVCHVSE-CQSZACIVSA-N 372.494 3.750 0 40 FHAB O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCCCCCC1 9690597 IXPPAGLMSAUUHU-UHFFFAOYSA-N 361.463 3.660 0 40 FHAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1cc(Cl)ccc1Cl 10314807 LAZSFXKGNDIYNX-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C(F)(F)F)c1 11265324 DWFLINUJZICMPG-UHFFFAOYSA-N 372.368 3.773 0 40 FHAB O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12581764 OHCWNTOEFKDKEN-SJLPKXTDSA-N 367.836 3.884 0 40 FHAB O=C(OCc1cc2ccccc2o1)c1ccc(S(=O)(=O)C(F)F)cc1 12869597 WOFSHLMDFBNOIV-UHFFFAOYSA-N 366.341 3.786 0 40 FHAB CCCCNc1nnc(S[C@H](CC)C(=O)Nc2cc(C)on2)s1 12889810 HJTFNISLRSMCAD-SNVBAGLBSA-N 355.489 3.556 0 40 FHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2CCCCCC2)cs1 13003716 PRNHOKQJTSLCPY-UHFFFAOYSA-N 355.507 3.884 0 40 FHAB CCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1ccc(C)cc1 13479903 WATSCFHMRNYSJX-UHFFFAOYSA-N 350.418 3.788 0 40 FHAB Cc1cccc(NC(=O)CN(C)Cc2nc(-c3ccc(F)cc3)no2)c1C 14117163 XGEFVIVZGLPVBU-UHFFFAOYSA-N 368.412 3.563 0 40 FHAB COc1ccc(CC(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc1 14161654 MYSBMIPZHLAKHO-CQSZACIVSA-N 359.495 3.565 0 40 FHAB C[C@H](Sc1ccc2c(c1)CCC2)C(=O)NCc1ccc2c(c1)OCO2 14184755 BLIVLDIBMQUGSD-ZDUSSCGKSA-N 355.459 3.701 0 40 FHAB CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc3ccccc23)C[C@H]1C(=O)O 14632512 VRFFYFYANPROIL-HOCLYGCPSA-N 357.406 3.681 0 40 FHAB C[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 17743848 QYVHBNNJKLSOQI-LLVKDONJSA-N 352.843 3.626 0 40 FHAB CCC[C@H]1[C@@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@H]2ON1c1ccccc1 17779475 QSKYXFFJXIDPSS-BJLQDIEVSA-N 364.445 3.782 0 40 FHAB CC(=O)N1C[C@H](c2cccc(C)c2)[C@H]2CN(Cc3ccsc3)CC[C@H]21 19235248 RFSHMWJRIMKUBU-NJDAHSKKSA-N 354.519 3.893 0 40 FHAB Brc1ccccc1CN1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 19889648 FPFAVNASDIGYQB-RYRKJORJSA-N 361.327 3.779 0 40 FHAB C[C@H]1C(=O)N(Cc2c(F)cccc2Cl)C(=O)N1c1ccc(F)cc1 20670894 FDNLDWLWNOTCAK-JTQLQIEISA-N 350.752 3.976 0 40 FHAB O=C(OCC(=O)c1ccc(Cl)s1)c1ccc(NC(=O)C2CC2)cc1 24199927 UXVALELNTMSNFN-UHFFFAOYSA-N 363.822 3.790 0 40 FHAB COC(=O)C1(c2ccccc2)CCN(C(=O)c2ccccc2Cl)CC1 25055271 JVZKQIRWBSAXJP-UHFFFAOYSA-N 357.837 3.687 0 40 FHAB Clc1ccccc1[C@H](CNc1nc2ccccc2o1)N1CCOCC1 25495282 XDAXYHPJGVEBCG-KRWDZBQOSA-N 357.841 3.967 0 40 FHAB COc1ccc(-c2nonc2NC(=O)COc2ccc(Cl)cc2)cc1C 27664673 AYVOZKRHVOVFAS-UHFFFAOYSA-N 373.796 3.725 0 40 FHAB Cc1ccc([C@@H](CNC(=O)COc2cccc(C)c2C)N2CCCC2)cc1 27793078 HBGQUAHWHRDMHL-OAQYLSRUSA-N 366.505 3.944 0 40 FHAB Cc1ccc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1-n1cccc1 30030582 VENZQKGFPVRNBT-JOCHJYFZSA-N 359.473 3.915 0 40 FHAB COc1ccc(C(=O)NCCc2nc(-c3ccc(OC)cc3)cs2)cc1 31848798 OLNWWGSZDLHUGL-UHFFFAOYSA-N 368.458 3.800 0 40 FHAB CCc1[nH]c(C(=O)N[C@H]2CCSc3ccccc32)c(C)c1C(=O)OC 32338536 LXCDYTUBQLACTR-AWEZNQCLSA-N 358.463 3.639 0 40 FHAB CC1=C(C(N)=O)[C@H](c2ccccc2)NC(SCc2cccc(C)c2)=N1 33782871 ZGFBJXYEOVVMCI-SFHVURJKSA-N 351.475 3.688 0 40 FHAB O=C(NCc1ccccc1)[C@@H](NCc1ccccc1)C(Cl)(Cl)Cl 36370178 JWQXSTLOMCEJPW-OAHLLOKOSA-N 371.695 3.831 0 40 FHAB COc1ccc(-c2cc(NCCc3ccc(OC)c(OC)c3)ncn2)cc1 36708973 JUUDDNXIBNPQCB-UHFFFAOYSA-N 365.433 3.824 0 40 FHAB O=C(c1cccc2ccccc12)N1CCC[C@H](c2nnc3ccccn23)C1 40011926 XUBXDCJWDBKHQT-KRWDZBQOSA-N 356.429 3.902 0 40 FHAB COc1cc(C(=O)Nc2ccc3nc(C(C)C)[nH]c3c2)cc(OC)c1OC 40267539 JDXHZDXQPXSNTN-UHFFFAOYSA-N 369.421 3.964 0 40 FHAB Cc1cc(-c2ccc(S(=O)(=O)Nc3ccccc3Cl)s2)[nH]n1 40288108 RHCGRHPEBDKIAP-UHFFFAOYSA-N 353.856 3.901 0 40 FHAB CC(C)(C)OC(=O)N1CCC(Nc2cccc(Br)n2)CC1 40434965 YLDMRRWJDKSWFZ-UHFFFAOYSA-N 356.264 3.656 0 40 FHAB CC(C)C[C@H](NC(=O)CCc1cccc(Cl)c1Cl)C(=O)N(C)C 41171384 RAGNRLHNUXKXEG-AWEZNQCLSA-N 359.297 3.545 0 40 FHAB CCOc1ccccc1CCC(=O)NC1(c2noc(C)n2)CCCCC1 42009618 BWCVDISJAXGCRH-UHFFFAOYSA-N 357.454 3.685 0 40 FHAB Cc1ccc(C)c(CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1 44850328 DNZHWFSKWHUAAU-UHFFFAOYSA-N 373.456 3.810 0 40 FHAB O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)c1ccc2c(c1)OCO2 46308089 UUEVBGZAEORVSI-UHFFFAOYSA-N 366.348 3.672 0 40 FHAB COC(=O)[C@H](C)Sc1nnc(-c2ccccn2)n1-c1ccc(C)cc1C 48363572 QVSVCIDFYCIXFB-AWEZNQCLSA-N 368.462 3.600 0 40 FHAB Cn1ncc(C(=O)Nc2ccc(Oc3ccncc3)cc2)c1-n1cccc1 50805816 DXMUKBVMVPEECN-UHFFFAOYSA-N 359.389 3.650 0 40 FHAB Cc1ccc(C(=O)NC2CC2)cc1NCc1nc(-c2ccsc2)no1 55858672 MBWZGJYKNCWOFG-UHFFFAOYSA-N 354.435 3.611 0 40 FHAB CNC(=O)c1ccc(NC(=O)CN[C@H](c2ccc(Cl)cc2)C(C)C)cc1 57383479 XSTAAPPHNAMABO-IBGZPJMESA-N 373.884 3.625 0 40 FHAB CCC(O)(CC)CNC(=O)NCc1ccc(OCc2ccccc2)cc1 58161919 SGMQDVBURCVXNM-UHFFFAOYSA-N 356.466 3.616 0 40 FHAB COC(=O)CCNC(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1 62715573 PQEDNTCQTZUKAJ-DHZHZOJOSA-N 373.836 3.612 0 40 FHAB Cc1sc(NC(=O)C2CC2)c(C(=O)N2CCc3sccc3C2)c1C 63702782 OIEZFHZEHWIXTI-UHFFFAOYSA-N 360.504 3.973 0 40 FHAB CNc1cc(C(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)c2ccccc2n1 72289347 MNBAEJRUSIFJHD-FOIQADDNSA-N 361.445 3.879 0 40 FHAB CN(C)C(=O)CN1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1 72357958 NNXBWSPMUPXXDX-LJQANCHMSA-N 357.885 3.551 0 40 FHAB O=C(O)CCNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 72401337 IYNNPHDFTONLDI-UHFFFAOYSA-N 354.793 3.760 0 40 FHAB O=C(COc1ccc2ccccc2c1)N(CC(F)(F)F)C1CCOCC1 75166625 WMOVWGIYPFTOGZ-UHFFFAOYSA-N 367.367 3.789 0 40 FHAB Cc1nc2ccc(NC(=O)NC[C@H](C)N3CCc4ccccc4C3)cc2o1 76102115 RDCYBELIFSHXKW-AWEZNQCLSA-N 364.449 3.705 0 40 FHAB O=C(c1sccc1OC(F)F)N1CCC[C@H](c2noc(C3CC3)n2)C1 89885302 KCNCQDQJYGRWIW-JTQLQIEISA-N 369.393 3.630 0 40 FHAB CN(CC(=O)N1CC2(CCCC2)c2c(F)cccc21)C(=O)OC(C)(C)C 95946801 ULYOBJADWPWNIX-UHFFFAOYSA-N 362.445 3.851 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)[C@@H]1CCN(c2ccccc2)C1=O 95962684 KKKBWSMTZSGRDH-JOCHJYFZSA-N 374.488 3.726 0 40 FHAB O=C(c1cccs1)N1CCC2(CCN(Cc3ccncc3)CC2)CC1 96047301 CPNICPMPDCTSOU-UHFFFAOYSA-N 355.507 3.662 0 40 FHAB CN(C)C(=O)C[C@@H]1CC2(CCN(C(=O)CC(C)(C)C)CC2)c2ccccc21 96242066 LVLSACFHFWBMRX-QGZVFWFLSA-N 370.537 3.949 0 40 FHAB CCCc1ccc(C(=O)N2CCCn3cnc(CN(C)C(C)C)c3C2)cc1 96259244 FBSZAOAKUUVIPP-UHFFFAOYSA-N 368.525 3.722 0 40 FHAB CCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 100743940 HQURZWLYWHFSJF-LSOMNZGLSA-N 355.434 3.708 0 40 FHAB CCn1c(S)nc2cc(C(=O)Nc3cccc(C)c3C)ccc2c1=O 102333636 OYQFVRCVIOQIAZ-UHFFFAOYSA-N 353.447 3.574 0 40 FHAB CCOC(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)o1 122225665 XSWVVMIHXQXUGU-UHFFFAOYSA-N 363.222 3.611 0 40 FHAB FC(F)(F)c1ccc(N2CCN(Cc3csc(C4CC4)n3)CC2)nc1 179456540 KIKZNZZAWZAFIM-UHFFFAOYSA-N 368.428 3.757 0 40 FHAB COc1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OC 222562702 IUVZXXMQAHBBTI-RZAIGCCYSA-N 355.463 3.688 0 40 FHAB C[C@@H]1Cc2cc(Br)ccc2N1S(=O)(=O)c1ccccc1 222983201 WJWDKYZNKJZMMW-LLVKDONJSA-N 352.253 3.589 0 40 FHAB COc1ccccc1OCC(=O)NCCOc1ccccc1C(C)(C)C 223666146 BWRYOKRYYAUURL-UHFFFAOYSA-N 357.450 3.567 0 40 FHAB COc1cccc(OCCNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 224285253 PSQDZWJYIINVBU-MRXNPFEDSA-N 365.429 3.811 0 40 FHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 225209987 RFTVJUAEMTVENK-DLBZAZTESA-N 370.468 3.700 0 40 FHAB CCCSc1nnc(NC(=O)CSCc2ccc(OC)cc2)s1 225218030 OJVOWJNJCFHLNT-UHFFFAOYSA-N 369.537 3.921 0 40 FHAB Cc1cccc(CNC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)c1 225428289 CPLJXSYDHWUGNL-UHFFFAOYSA-N 353.491 3.917 0 40 FHAB O=C(CSc1ccc(F)cc1)Nc1cnc2cc(C(F)(F)F)nn2c1 225571983 KKZGEXIBFVAUSE-UHFFFAOYSA-N 370.331 3.618 0 40 FHAB COC1(C(=O)Nc2ccc(OCCN3C[C@@H](C)C[C@@H](C)C3)cc2)CCCC1 225626071 NYKUOIMXMUDPAB-HDICACEKSA-N 374.525 3.941 0 40 FHAB O=C(c1ccc(F)c(F)c1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225730362 VQUZPCSATSSYHH-LBPRGKRZSA-N 372.293 3.672 0 40 FHAB Cc1cc(C)c2c(=O)ccn(CC(=O)N[C@@H](C)c3ccc(F)cc3)c2c1 225758194 BLIFQMDUYQNJSJ-HNNXBMFYSA-N 352.409 3.635 0 40 FHAB CCOCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)c(C)n1 225894205 XXDGBMFNMZLBNO-IBGZPJMESA-N 352.475 3.585 0 40 FHAB Cc1ccc(Nc2nc([C@@H]3CCCN(Cc4ncc[nH]4)C3)cs2)nc1 257247438 IZAHNUDWNUUNHO-CQSZACIVSA-N 354.483 3.693 0 40 FHAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccccc1 408705154 YZFXZUORMFRRMP-UHFFFAOYSA-N 366.442 3.767 0 40 FHAB O=C(c1cnc(-c2ccccc2)[nH]1)N1CCN[C@H](c2cccc(Cl)c2)C1 513991142 CVHDDEAYYLJLKS-SFHVURJKSA-N 366.852 3.517 0 40 FHAB Cc1ncc(CN2CC[C@]23CCCN(C(=O)CCc2ccccc2)C3)s1 585101798 HFFMUJJOVNMESO-NRFANRHFSA-N 369.534 3.651 0 40 FHAB CC(C)CC(=O)N1CC[C@@]2(C1)c1cccn1-c1ncccc1N2CC1CC1 585107033 ORWFZTGZYGINTN-JOCHJYFZSA-N 364.493 3.576 0 40 FHAB C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)Nc2ccccc2)C1=O 651978250 MMXDPPISTAHJLH-RDTXWAMCSA-N 355.413 3.699 0 40 FHAB Cn1cncc1C1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1 1341096171 UCWUCKRJSDWRDO-UHFFFAOYSA-N 352.463 3.563 0 40 FHAB Cc1ccc2c(=O)c3c([nH]c2c1C)CCN(C(=O)c1ccc(Cl)cc1)C3 1775969093 XDZCHPVMTMRDEU-UHFFFAOYSA-N 366.848 3.997 0 40 FHAB Cn1c([C@@](O)(c2ccccc2)[C@@H](O)c2cccs2)nc2ccccc21 860934 WUPIIIBPMPXSOP-AZUAARDMSA-N 350.443 3.604 0 40 FHAB O=C(Nc1cc2ncnn2c(SCc2ccccc2)n1)c1ccccc1 1418570 NIAXMTUYFKNPLS-UHFFFAOYSA-N 361.430 3.669 0 40 FHAB CC1(C)C[C@@H]2C[C@@](C)(CN2CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 2139603 PEVHSLDAYIFANO-WAIKUNEKSA-N 365.521 3.953 0 40 FHAB COc1cccc(C(=O)OCC(=O)Nc2ccc(C(C)C)cc2)c1OC 2617443 MSNVSPSRKUGJLS-UHFFFAOYSA-N 357.406 3.623 0 40 FHAB CN1CCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)CC1 3116710 IIBCKHRGVQAUHR-UHFFFAOYSA-N 363.383 3.710 0 40 FHAB COc1ccccc1N[C@H](NC(=O)c1ccccc1)C(=O)c1ccccc1 3124970 INWMXXWXXXTLMV-OAQYLSRUSA-N 360.413 3.746 0 40 FHAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCC(=O)c1ccccc1 3245881 KJRJEMUOUKCUEP-UHFFFAOYSA-N 373.408 3.510 0 40 FHAB CC(C)CNC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1 3271744 VGEMRASULDPRBS-UHFFFAOYSA-N 374.487 3.954 0 40 FHAB CCOC(=O)c1sc(NCC(=O)N2c3ccccc3C[C@@H]2C)cc1C 3317903 NATRHGJBSCIGRT-ZDUSSCGKSA-N 358.463 3.623 0 40 FHAB Cc1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2C)c(C)c1 3340223 FEOHUJCAUDAEHT-UHFFFAOYSA-N 361.825 3.826 0 40 FHAB C[C@@H](Sc1nnc(NCc2ccccc2)s1)C(=O)NCc1ccco1 3356376 FYLNYQFPBMTJBW-GFCCVEGCSA-N 374.491 3.540 0 40 FHAB CC(C)CNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 3483900 HESZZRIACBDZNK-UHFFFAOYSA-N 366.490 3.799 0 40 FHAB Cn1c2ccccc2c2nnc(SCc3nnc(-c4ccccc4)o3)nc21 4128185 FUHBSQFMQJPCDI-UHFFFAOYSA-N 374.429 3.859 0 40 FHAB COc1cccc(C(=O)Nc2nc3c(OC)ccc(C)c3s2)c1OC 4479393 PKOBMHUZYVUNFO-UHFFFAOYSA-N 358.419 3.883 0 40 FHAB CCc1ccc(-c2ccc(SCC(=O)NCc3ccco3)nn2)cc1 4496093 RNWIPSNJSSUGDD-UHFFFAOYSA-N 353.447 3.708 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1n[nH]c2ccccc12 4825182 MUPOUMAADXGCEN-UHFFFAOYSA-N 351.406 3.790 0 40 FHAB Cc1ccc(-n2ccnc2SCc2cc(=O)n3ccsc3n2)c(C)c1 4894644 PDACGUVVDVOSOU-UHFFFAOYSA-N 368.487 3.851 0 40 FHAB O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(Cl)cc1 4941976 BUOKAXZURYIBFQ-UHFFFAOYSA-N 364.854 3.522 0 40 FHAB Cc1cccc(C)c1NC(=O)N1CCC(O)(c2ccc3c(c2)OCO3)CC1 4985057 NDFLNILNEDBDRB-UHFFFAOYSA-N 368.433 3.548 0 40 FHAB Cc1cccc(N2CCN(C(=O)COc3c(C)cccc3C)CC2)c1C 5062636 WETOWNZXRCKLRP-UHFFFAOYSA-N 352.478 3.648 0 40 FHAB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)c(O)c1 5226042 NWADADWPTGBAFF-JTQLQIEISA-N 351.761 3.677 0 40 FHAB COc1ccc(C)cc1NC(=O)c1cccn(Cc2ccc(C)cc2)c1=O 5270201 NMMAUXLUXVQGKG-UHFFFAOYSA-N 362.429 3.774 0 40 FHAB COC(=O)c1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1 5576729 DKTUKXPVKPEVBC-UHFFFAOYSA-N 353.296 3.510 0 40 FHAB COc1ccc(CNC2=NN=C(c3c[nH]c4ccccc34)CS2)cc1 5936448 HFYUDFKKTGTJIK-UHFFFAOYSA-N 350.447 3.773 0 40 FHAB c1csc(-c2nnc(COc3ncnc4sc5c(c34)CCC5)o2)c1 5937431 ZIIBAUFVFNLNQR-UHFFFAOYSA-N 356.432 3.871 0 40 FHAB O=C(CSc1nc2cc(Cl)cnc2[nH]1)Nc1ccc(F)cc1F 6188139 QQOYLACMFVPUCK-UHFFFAOYSA-N 354.769 3.620 0 40 FHAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1Cc1ccccc1C(F)(F)F 6625720 SCHFGGHKVZIPFQ-SFHVURJKSA-N 360.335 3.599 0 40 FHAB COCc1c(C(=O)O[C@@H](C)C(=O)N(C(C)C)C(C)C)oc2ccccc12 7836334 DULFVKIBZPKGAF-AWEZNQCLSA-N 361.438 3.770 0 40 FHAB O=C(NCc1ccccc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 7928391 YMGMYSJEEAEODC-CYBMUJFWSA-N 363.244 3.663 0 40 FHAB COc1ccc2cc(CN(C)C(=O)c3cccc(NC(N)=O)c3)ccc2c1 8360929 IJBOIAOMHPSQLH-UHFFFAOYSA-N 363.417 3.611 0 40 FHAB CCc1ccc(OCC(=O)Nc2nc3ccc(C(=O)OC)cc3s2)cc1 8904280 SGRPOEFZBIURCA-UHFFFAOYSA-N 370.430 3.663 0 40 FHAB CN(CC(=O)Nc1ccc(F)cc1)Cc1nnc(-c2ccccc2Cl)o1 9155703 GLOPUKSZPUCNCX-UHFFFAOYSA-N 374.803 3.600 0 40 FHAB CCCn1c(SCc2ncc(-c3ccc(Cl)cc3)o2)n[nH]c1=O 9446255 KAZUTMTYXWMWGI-UHFFFAOYSA-N 350.831 3.582 0 40 FHAB Cc1nnc(SCc2nc3scc(-c4ccco4)c3c(=O)[nH]2)s1 9516732 BSBCZGAJWAGPFW-UHFFFAOYSA-N 362.461 3.697 0 40 FHAB COc1cc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)ccc1C 9906943 KWCLSJIANHVIRM-UHFFFAOYSA-N 360.841 3.746 0 40 FHAB CC(=O)N[C@H](C)c1ccc(C2=NN=C(Nc3ccccc3F)SC2)cc1 9908759 XUYWKWOOCIRNRD-GFCCVEGCSA-N 370.453 3.942 0 40 FHAB O=C(CSc1nnc(NCCc2cccs2)s1)c1ccc[nH]1 9952599 LITOVBHAOXLJAS-UHFFFAOYSA-N 350.494 3.557 0 40 FHAB CCCn1c(C)cc(-c2csc(NC(=O)COc3cc(C)on3)n2)c1C 10940586 BQYKTFVFHNJMSM-UHFFFAOYSA-N 374.466 3.952 0 40 FHAB COc1ccccc1C(=O)N1CCC(c2nc3cc(F)ccc3[nH]2)CC1 12128423 ARVUEOIUUMJVRQ-UHFFFAOYSA-N 353.397 3.730 0 40 FHAB Cc1nc2ccc(Cl)cn2c(=O)c1NC(=O)c1c(F)cccc1Cl 12180713 AJMDNEPDJMVSRG-UHFFFAOYSA-N 366.179 3.701 0 40 FHAB O=S1(=O)N=C(SCc2ccc(F)cc2)Nc2ccc(Cl)cc21 12361108 SCZGULNKBGCPIE-UHFFFAOYSA-N 356.831 3.883 0 40 FHAB O[C@H](COc1c(Cl)cccc1Cl)CN1CCc2ccccc2C1 12904179 ZKNXELADMUUNSD-HNNXBMFYSA-N 352.261 3.791 0 40 FHAB Cc1ccc2nc(CN3C(=O)NC4(CCC(C(C)(C)C)CC4)C3=O)cn2c1 13095242 CPRUSQOUMBXUMM-UHFFFAOYSA-N 368.481 3.670 0 40 FHAB C[C@@H](NCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1ccccc1Cl 13097212 JYJMTODHBMHEMH-SNVBAGLBSA-N 359.882 3.978 0 40 FHAB CCCC1=C(C(=O)OCC)[C@@H](c2c[nH]c3ccccc23)n2nc(C)nc2N1 14163458 ZHFQCYLYUHAGBA-GOSISDBHSA-N 365.437 3.700 0 40 FHAB CCCCCC(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 14257863 QZVPHUHHBLUCFV-UHFFFAOYSA-N 350.331 3.611 0 40 FHAB Cc1cccc(OCC(=O)NC[C@H](c2ccc(C)o2)N2CCCCC2)c1 15860183 MXVHZLGCVARROQ-LJQANCHMSA-N 356.466 3.619 0 40 FHAB O=C(NC[C@H]1CCC[C@H](CNC(=O)c2ccccc2)C1)c1ccccc1 16476730 ZKTVNVAMZHNMJN-ROUUACIJSA-N 350.462 3.653 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 17116291 XJGWIOIJCNRMOH-JKSUJKDBSA-N 354.450 3.839 0 40 FHAB CC(C)c1cc(C(=O)OCc2cc(=O)n3ccccc3n2)c2ccccc2n1 18963860 BXJNPPXZEYANCS-UHFFFAOYSA-N 373.412 3.723 0 40 FHAB COc1cc(CN2CCCCC[C@H]2c2ccn(C)n2)cc(OC)c1OC 19291054 VVLTXXOMVKPYMH-KRWDZBQOSA-N 359.470 3.563 0 40 FHAB CCc1c(C(=O)Nc2ccccc2)nnn1-c1ccc(OC(F)F)cc1 19911172 MPGXVOBAUBFCIM-UHFFFAOYSA-N 358.348 3.683 0 40 FHAB Nc1c(C(=O)Nc2ccc(C(=O)O)cc2)sc2nc3c(cc12)CCCC3 20068912 AQXSRCMGLZTEEU-UHFFFAOYSA-N 367.430 3.708 0 40 FHAB Cc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1Cl 20490667 YQUXJNOWFMAJAD-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB COc1c2c(cc3c1[C@@H](c1c[nH]c4ccc(C)cc14)N(C)CC3)OCO2 20759113 CQYGCOBNUPWBOY-LJQANCHMSA-N 350.418 3.791 0 40 FHAB biogenic C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCN(Cc2ccsc2)CC1 22933234 DMNZUMGMQWDZDE-AWEZNQCLSA-N 363.914 3.546 0 40 FHAB COc1cccc(Nc2nc(N(C)C)nc3c2cnn3-c2ccccc2)c1 24023507 RBIUXEAZIUSQPU-UHFFFAOYSA-N 360.421 3.634 0 40 FHAB CC(C)C(=O)N1CCC(NC(=O)c2ccccc2Cc2ccccc2)CC1 25247812 DRPHJZHKVZVHCQ-UHFFFAOYSA-N 364.489 3.654 0 40 FHAB CC[C@@H](C)c1ccc([C@@H](O)CN2CCN(C(=O)c3cccs3)CC2)cc1 25571734 VCECKLPMFIIXSX-APWZRJJASA-N 372.534 3.753 0 40 FHAB C[C@@]1(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)CC1(Cl)Cl 25841539 VTTNQGYDDSXHIV-INIZCTEOSA-N 352.265 3.853 0 40 FHAB O=C(CCCSc1ccccc1)N1CCN(c2ccccc2O)CC1 26526322 SIUQSDGEHWECCD-UHFFFAOYSA-N 356.491 3.613 0 40 FHAB Cc1cc(O[C@H](C)C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc(C)c1Cl 27794890 OSWXUUYFXRKAOE-GFCCVEGCSA-N 374.824 3.694 0 40 FHAB Cc1nn(-c2ccc(NC(=O)c3n[nH]cc3Cl)cc2)c(C)c1Cl 28241451 PKKIDXFOENHITF-UHFFFAOYSA-N 350.209 3.771 0 40 FHAB CN(C)[C@H](CNCc1cc(Cl)c2c(c1)OCCCO2)c1ccsc1 28926534 ARWPXVYITDBBSP-MRXNPFEDSA-N 366.914 3.955 0 40 FHAB Cc1nccc(-c2cccc(NC(=O)c3ccc(N4CCCC4=O)cc3)c2)n1 31802983 DSQAYBCFZOTZKM-UHFFFAOYSA-N 372.428 3.831 0 40 FHAB COC(=O)C1(NC(=O)c2ccccc2SC(F)(F)F)CCCCC1 31907029 LPYCGLULRSOJGQ-UHFFFAOYSA-N 361.385 3.904 0 40 FHAB C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCCCOC2CCCCC2)cc1 32720463 NZSXOYSLTITNGE-HNAYVOBHSA-N 358.482 3.750 0 40 FHAB O=C(NCCC(=O)N1CCCC1)[C@@H](Sc1ccccc1)c1ccccc1 32721348 IHDHQYBDYGEMSB-FQEVSTJZSA-N 368.502 3.649 0 40 FHAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCCO2 32740522 USGONTMBZSBQKF-IBGZPJMESA-N 361.463 3.524 0 40 FHAB CCc1ccc(N2C(=O)/C(=C/c3ccccc3OC)C(O)=NC2=S)cc1 33774616 MYFLPWXVGQYYKC-FOWTUZBSSA-N 366.442 3.929 0 40 FHAB CN(C)CCCNC(=O)c1cc2occc2n1Cc1ccccc1Cl 36359102 JAJYTAIWFYPGMC-UHFFFAOYSA-N 359.857 3.618 0 40 FHAB O=C(COC[C@@H]1CCCCO1)N[C@H]1[C@@H]2CCCC[C@H]2[C@@H]1c1ccccc1 36719548 LKBLVJDAOFNYSY-YMYKFTITSA-N 357.494 3.661 0 40 FHAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CCCc1ccc(Cl)cc1 40140870 MDGAVPNLTDEUGO-UHFFFAOYSA-N 362.832 3.899 0 40 FHAB Cc1cn2c(=O)cc(COc3cccc(NC(=O)CC(C)C)c3)nc2s1 41077404 HUGAFYJITATCBP-UHFFFAOYSA-N 371.462 3.628 0 40 FHAB Cc1cccc(N2CCN(C(=O)c3c(Cl)nc4ccccn34)CC2)c1C 44850966 QWBSTTWSXHXDRJ-UHFFFAOYSA-N 368.868 3.567 0 40 FHAB CC(C)CNC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46078919 LMTKWSRTWZJQPX-UHFFFAOYSA-N 354.425 3.805 0 40 FHAB CCCOc1ccc([C@@H](C)NC(=O)c2cc(OC)cc(OC)c2)cc1OC 48340269 RJPMPTLMSKHXDY-CQSZACIVSA-N 373.449 3.992 0 40 FHAB Fc1ccccc1CN1CCC(NCc2cccc3c2OCCCO3)CC1 48750936 OCPYOJOBXHKWOO-UHFFFAOYSA-N 370.468 3.741 0 40 FHAB CSCC[C@@H](NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1 50613762 ZPVWMOCJIAPJMM-GOSISDBHSA-N 368.506 3.899 0 40 FHAB CCN(c1cc(C)ccc1C)S(=O)(=O)c1cc(C)c(C(=O)O)s1 55675294 JYJQEAYNROGVGN-UHFFFAOYSA-N 353.465 3.587 0 40 FHAB CCc1noc(C)c1C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 55742109 IKBJLUWBRAOUFQ-UHFFFAOYSA-N 355.438 3.814 0 40 FHAB Cn1c(C(=O)Nc2ccccc2SCC(N)=O)c(Cl)c2ccccc21 56260610 LVMPPOTWVAISHC-UHFFFAOYSA-N 373.865 3.661 0 40 FHAB CN(C)C(=O)C[C@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1ccccc1 57298623 LUMDBYQHFZWYAX-INIZCTEOSA-N 369.852 3.771 0 40 FHAB Cc1cc(=O)n(CC(=O)Nc2cccc(C(C)C)c2)c(-c2ccccc2)n1 57526564 ZCPKCGFORFOFRA-UHFFFAOYSA-N 361.445 3.981 0 40 FHAB COc1ccc(C(=O)[C@@H](C)Sc2nncn2-c2ccccc2)cc1OC 58209568 YUKYRWNCFQXWSD-CYBMUJFWSA-N 369.446 3.648 0 40 FHAB CC[C@H](C)N(C)CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 58308660 CKIGWSBGBIPDQY-INIZCTEOSA-N 353.466 3.916 0 40 FHAB C[C@H](Nc1cnn(-c2ccccc2)c(=O)c1Cl)c1ccc2c(c1)CCO2 60863071 WXEWUPQGZYPMNI-ZDUSSCGKSA-N 367.836 3.994 0 40 FHAB CC(C)Cc1noc(COC(=O)c2c3c(nc4ccccc24)CCC3)n1 69930393 LAHFCNXPXCRTBZ-UHFFFAOYSA-N 351.406 3.662 0 40 FHAB Cc1ccc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccc(F)cc2)cn1 72347586 TYJWXSKMDVWRKB-SFHVURJKSA-N 350.397 3.522 0 40 FHAB COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)c3cnccn3)C2)n1 72349193 HBJLUBCFRBVKTN-INIZCTEOSA-N 374.444 3.567 0 40 FHAB COC(=O)c1[nH]/c(=N\C(=O)c2nc(C)sc2C(C)C)sc1C(C)C 72402668 BUTOBWCSFCKOBH-UHFFFAOYSA-N 367.496 3.616 0 40 FHAB Cc1cn2c(CNC3CCN(Cc4ccccc4)CC3)c(C)nc2s1 78778111 GIAWCHHYMBYSCN-UHFFFAOYSA-N 354.523 3.767 0 40 FHAB O=C(Nc1ccc(Cl)cn1)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 79075933 FEKQNECXLDUBMO-FUHWJXTLSA-N 367.840 3.982 0 40 FHAB O=c1c2oc3ccccc3c2ncn1C[C@@H](O)c1ccccc1C(F)(F)F 84593442 TVEJAAFTCNCQRA-CQSZACIVSA-N 374.318 3.895 0 40 FHAB Nc1nc(-c2cc(Br)c(O)c(Br)c2)cs1 91302230 TVVNJOYDGIBGTN-UHFFFAOYSA-N 350.035 3.623 0 40 FHAB CCC(=O)N1N=C(c2cccc(NC(C)=O)c2)C[C@@H]1c1ccc(F)cc1 95116624 RXGMSSFVLVEBNA-LJQANCHMSA-N 353.397 3.872 0 40 FHAB Cc1cc(-c2nn3c(-c4ccc(Br)s4)nnc3s2)no1 95479623 NKTHDAYYILFLMO-UHFFFAOYSA-N 368.241 3.640 0 40 FHAB CCOC(=O)[C@@H]1CCCc2sc(Cc3ccc(OC)c(OC)c3)nc21 96003828 XGFAHDFLSRTCGM-CYBMUJFWSA-N 361.463 3.734 0 40 FHAB CCOC(=O)[C@H]1CCCc2sc(Cc3ccc(OC)c(OC)c3)nc21 96003829 XGFAHDFLSRTCGM-ZDUSSCGKSA-N 361.463 3.734 0 40 FHAB O=C1C[C@@]2(CCN(C(=O)c3ccc(F)cc3Cl)C2)Oc2ccccc21 96367293 RUZTXFSOZAJMAA-LJQANCHMSA-N 359.784 3.729 0 40 FHAB O=C(c1cccnc1)N1[C@H]2CC[C@@H](C2)[C@H]1c1nc(-c2ccc(F)cc2)no1 100219991 XFXROTHJAKTXME-JQFCIGGWSA-N 364.380 3.637 0 40 FHAB NC(=O)[C@H]1CCCCN1Cc1c(-c2ccc(Cl)cc2)nc2sccn12 102673323 SOKGSUVAFMRLIT-CQSZACIVSA-N 374.897 3.556 0 40 FHAB O=C(NCCc1nc(-c2ccccn2)cs1)c1cc(Cl)ccc1F 109880005 CYWNQXZIPPBPLL-UHFFFAOYSA-N 361.829 3.970 0 40 FHAB c1ccc([Si]2(c3ccccc3)c3ccccc3Sc3ccccc32)cc1 195791253 DKTYXPVJCJZGAZ-UHFFFAOYSA-N 366.561 3.529 0 40 FHAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 222400222 LSMYJGMJSWXOLO-KRWDZBQOSA-N 370.518 3.641 0 40 FHAB Cn1c(Cl)nc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc21 222547342 HBKDBOPUSHFKAL-UHFFFAOYSA-N 352.825 3.681 0 40 FHAB CC(=O)Nc1cccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2C)c1 222585342 YQNMSRCRJMYETG-UHFFFAOYSA-N 364.380 3.802 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)cc1Cl 223253489 NRNKEMWHMXYMFW-UHFFFAOYSA-N 372.899 3.875 0 40 FHAB CCc1ccccc1NC(=O)CN(CC)S(=O)(=O)c1cc(C)ccc1C 225933206 URBLMYPRSHGIMP-UHFFFAOYSA-N 374.506 3.515 0 40 FHAB Cc1c(C)n(CCC(=O)N2CCCCC[C@@H]3NCC[C@H]32)c2ccccc12 257213010 CFVGEPFWKJZFNI-PZJWPPBQSA-N 353.510 3.781 0 40 FHAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)[C@H]3C[C@@H]3C)CC2)n1 257229899 FZXWDHRNGGDASN-DKIMLUQUSA-N 364.493 3.893 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408706610 ANGOXXUJISTDPK-DYESRHJHSA-N 364.489 3.630 0 40 FHAB C[C@@H](NC(=O)c1cc(N(C)C)nc2ccccc12)[C@@H]1COc2ccccc21 509191872 MPMXBJNCIYMFDW-KDOFPFPSSA-N 361.445 3.595 0 40 FHAB O=C(N1CC=C(c2cccc3ccccc23)CC1)C1(O)Cc2ccccc2C1 1319271870 HEQMMNPPLBRZSK-UHFFFAOYSA-N 369.464 3.985 0 40 FHAB Cn1cc(-c2ccc(CCNC(=O)C3(c4ccc(F)cc4)CC3)cc2)cn1 1889258096 LSDJJECMHUVZIW-UHFFFAOYSA-N 363.436 3.617 0 40 FHAB CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C)cc1 641208 ZAYSNXWURNHGBM-IBGZPJMESA-N 365.433 3.660 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)Nc3nc(C)c(C)s3)o2)cc1 902707 UVKQAILRDQFXAM-UHFFFAOYSA-N 360.464 3.849 0 40 FHAB Cc1ccc(OCc2nnc(S[C@H](C)C(=O)O)n2-c2ccccc2)cc1 915910 PYDRCMJVYYEFPU-CQSZACIVSA-N 369.446 3.720 0 40 FHAB Cc1c(C(=O)OC(C)C)sc(NC(=O)C2CC2)c1C(=O)OC(C)C 994768 VVTBCVMQDGKGGR-UHFFFAOYSA-N 353.440 3.535 0 40 FHAB COc1cc2c(cc1/C=C1\SC(=O)N(c3ccc(C)cc3)C1=O)OCO2 1005856 VMGXWFIMLZUOGO-IUXPMGMMSA-N 369.398 3.973 0 40 FHAB O=C(NC(=S)Nc1ccc(Br)cc1F)C1CCCCC1 3244996 OKBYZEJTQVCXSG-UHFFFAOYSA-N 359.264 3.982 0 40 FHAB C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)NC1CCCC1 3522925 MPADYGSWEMNJDW-CYBMUJFWSA-N 356.495 3.684 0 40 FHAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccnc(-c3ccncc3)n2)cc1 3997492 LIIIUKLBYWSRAN-UHFFFAOYSA-N 368.462 3.637 0 40 FHAB COc1cccc2sc(NC(=O)c3coc4ccccc4c3=O)nc12 4194645 JYBICQYZTKKAHY-UHFFFAOYSA-N 352.371 3.664 0 40 FHAB C[C@H]1CCc2c(sc3ncnc(NS(=O)(=O)c4cccs4)c23)C1 4647496 CFWCXZWAQSVJRA-VIFPVBQESA-N 365.505 3.678 0 40 FHAB CN1C(=O)[C@@H]2C=CC=C[C@H]2N=C1SCc1ccccc1Br 5525366 MRTQZNOBQLVUNR-TZMCWYRMSA-N 363.280 3.621 0 40 FHAB COc1cc(C)c(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1OC 6258897 RUQDZKDYBAMCNZ-QGZVFWFLSA-N 371.433 3.822 0 40 FHAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NCc1ccc(Cl)cc1 6628195 IREOMCIFEDRWQS-KRWDZBQOSA-N 362.832 3.550 0 40 FHAB CCCOc1ccc([C@@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)cc1OC 6678834 HNVDZWPEPXJLSX-BZNIZROVSA-N 361.467 3.679 0 40 FHAB CCOC(=O)c1cc(OC(=O)c2ccc(C)cc2)n(-c2ccccc2)n1 6721339 ZKBLMXCMOVQXBD-UHFFFAOYSA-N 350.374 3.577 0 40 FHAB C[C@@H]1CCCN(C(=O)CSc2nnc(Nc3ccccc3F)s2)C1 6784306 OLXNDMNCJIEKSA-LLVKDONJSA-N 366.487 3.771 0 40 FHAB CCC(=O)c1ccc(OCC(=O)Nc2nc(-c3cccnc3)cs2)cc1 6969343 XYSSMPURIIXGPX-UHFFFAOYSA-N 367.430 3.815 0 40 FHAB C[C@]1(C(=O)Nc2ccc(N3CCCCC3)cc2)Cc2ccccc2C(=O)O1 7104852 CCWSQRNSSRUMCN-JOCHJYFZSA-N 364.445 3.787 0 40 FHAB CN(C)c1ccc(/C=C/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1 7386471 BLVIJFBOLKQOAN-UCNNRJBBSA-N 362.477 3.782 0 40 FHAB O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccnn1C1CCCC1 7471398 HJICZXQBAVHOKF-UHFFFAOYSA-N 368.466 3.514 0 40 FHAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2ccc(F)cc2Cl)c1 7506875 IFPQIUKRPXSHED-VMPITWQZSA-N 363.772 3.683 0 40 FHAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2cccc(C)c2)c(OC)c1 7719562 NJDNHXVYVOARHL-IBGZPJMESA-N 354.450 3.788 0 40 FHAB CCC(=O)NCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12 7871642 BMBXUIPFZAGJAP-UHFFFAOYSA-N 361.445 3.548 0 40 FHAB COc1cccc(CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)c1 7961297 UAFXXEDFLCHHIK-UHFFFAOYSA-N 370.449 3.650 0 40 FHAB CN(C(=O)COc1ccc(-c2nnco2)cc1)[C@H]1CCCc2ccccc21 7986963 PQQFXBXLSVMJGW-IBGZPJMESA-N 363.417 3.651 0 40 FHAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)NCC(C)C 8040810 VNGXYONOLQWCLR-LJQANCHMSA-N 354.450 3.869 0 40 FHAB COc1ccc(Cl)cc1CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 8129616 VNXLZZGOIVMURJ-FQEVSTJZSA-N 370.836 3.632 0 40 FHAB Cc1ccc(-c2nn(CC(=O)c3ccc4c(c3)OCCO4)c(=S)o2)cc1 8550648 AUFNDKZYILDKEH-UHFFFAOYSA-N 368.414 3.835 0 40 FHAB Cc1ccc([C@H](NC(=O)CNC(=O)c2ccco2)c2ccccc2)cc1C 9252647 IXBQLVQLQZVLNH-OAQYLSRUSA-N 362.429 3.532 0 40 FHAB CCOc1ccc(-c2cs/c(=N\c3ccc(OC)cc3)n2CCO)cc1 9317434 CQYIUVUGHOSYFD-MRCUWXFGSA-N 370.474 3.849 0 40 FHAB COc1ccc(OCCOC(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1 9515429 APJLSEKEZULMRT-UHFFFAOYSA-N 374.776 3.691 0 40 FHAB Cc1ccc(Sc2ncccc2C(=O)Nc2cccc(C(N)=O)c2)cc1 10029663 YMIQPHCJDYRSJH-UHFFFAOYSA-N 363.442 3.892 0 40 FHAB Cc1ccc(Cl)c(OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 10609041 PABQMAKIOBFCIG-UHFFFAOYSA-N 358.825 3.558 0 40 FHAB Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCc2ccccc21 10752847 IVJQEICBRGRRQO-OAHLLOKOSA-N 366.280 3.723 0 40 FHAB O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cnc2ccccc2n1 11005159 WPXOWGWKCJDDFQ-UHFFFAOYSA-N 355.781 3.697 0 40 FHAB Cc1sc2ncn(CC(=O)N[C@@H](c3ccccc3)C(C)C)c(=O)c2c1C 11236095 TXYDYPQYSMLLPO-GOSISDBHSA-N 369.490 3.588 0 40 FHAB COc1c(O)cccc1/C=C(\C#N)C(=O)Nc1nc(C(C)(C)C)cs1 11330932 FINOYRIBYPGLPO-XYOKQWHBSA-N 357.435 3.700 0 40 FHAB COc1ccc(Cl)cc1C(=O)NCCc1cnn(-c2ccccc2)c1 11555980 JVDJCAZGAZFPRA-UHFFFAOYSA-N 355.825 3.507 0 40 FHAB CCOc1ccc(-n2nnc(C(=O)OCc3cccc(Cl)c3)c2C)cc1 12415987 CPTHYRAEYDHVNM-UHFFFAOYSA-N 371.824 3.985 0 40 FHAB Cc1ccc(CN2C[C@H](C(=O)OCc3ccccc3Cl)CC2=O)cc1 12569781 JZQLUQTWRWTEML-QGZVFWFLSA-N 357.837 3.740 0 40 FHAB Clc1ccccc1OCCN1CCN(c2nc3ccccc3o2)CC1 12774899 XVWLACOFAOWGBN-UHFFFAOYSA-N 357.841 3.682 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 12781764 GVXYZJRGROXQAZ-ZWKOTPCHSA-N 365.477 3.673 0 40 FHAB COC(=O)c1cccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c1C 12894986 BLYDWIRFUHVODM-UHFFFAOYSA-N 363.417 3.836 0 40 FHAB COc1ccc(CN(C)C(=O)Cc2nc(-c3ccccc3)oc2C)cc1F 12998866 AYCNXFKSQXZNAH-UHFFFAOYSA-N 368.408 3.999 0 40 FHAB Nc1cccc(S[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2=O)c1 13576243 BOSQVFSGYXLWAQ-AWEZNQCLSA-N 367.257 4.000 0 40 FHAB Cc1ccc(OCc2cc(=O)n3ccc(C)cc3n2)c(Br)c1 14112240 YVBUFZIUKVPJOE-UHFFFAOYSA-N 359.223 3.653 0 40 FHAB CCCC1=C(C(=O)OCC)[C@H](c2ccccc2Cl)n2nc(C)nc2N1 14163404 PDTRQRRYTAZGOP-INIZCTEOSA-N 360.845 3.872 0 40 FHAB Cc1ccc(CCC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1Cl 14244347 HVKHMPXJOKFRKG-UHFFFAOYSA-N 370.880 3.566 0 40 FHAB COc1cccc(CNC(=O)Cc2csc(Nc3ccc(F)cc3)n2)c1 16850232 LIYUUNPTNCGZEX-UHFFFAOYSA-N 371.437 3.893 0 40 FHAB O=c1c2cc(Cc3ccccc3)sc2[nH]c(=S)n1C[C@@H]1CCCO1 17074015 RADXAZXKWVJKDT-ZDUSSCGKSA-N 358.488 3.890 0 40 FHAB Cc1noc2nc(C3CCN(C(=O)C4CC4)CC3)cc(C(F)(F)F)c12 19564513 YZJLGDDMFLKVLW-UHFFFAOYSA-N 353.344 3.666 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)c1C 20460138 OSGVUNRENJNOCV-KRWDZBQOSA-N 356.441 3.559 0 40 FHAB CCOc1cc2c(cc1OCC)[C@@H](c1coc3ccccc3c1=O)NCC2 20494368 BRNMQWNJLZTXNN-NRFANRHFSA-N 365.429 3.826 0 40 FHAB Cc1cn2c(=O)cc(COC(=O)c3ccc(C(C)(C)C)cc3)nc2s1 21538560 UVXMDMLGFXEIMW-UHFFFAOYSA-N 356.447 3.719 0 40 FHAB O=C(NCc1cccnc1-n1cccn1)c1sccc1-c1ccccc1 24590069 MIKUKEWHQAAXOO-UHFFFAOYSA-N 360.442 3.926 0 40 FHAB COc1cccc2cc([C@@H](C)NC(=O)CSc3nc(C)cc(C)n3)oc12 25732995 ZLPKCTHLJBXOAX-CYBMUJFWSA-N 371.462 3.818 0 40 FHAB COc1ncccc1CNC(=O)N[C@@H](c1ccccc1)c1cccs1 26384200 QHWWEFGDFLDVPO-KRWDZBQOSA-N 353.447 3.741 0 40 FHAB Cc1noc(C)c1CSc1ncccc1C(=O)NCc1ccc(C)n1C 27750813 VYPQKBFOZZXZSK-UHFFFAOYSA-N 370.478 3.556 0 40 FHAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccccn2)o1 28200096 RXICSJVLXDICHE-UHFFFAOYSA-N 358.401 3.766 0 40 FHAB O=C(Cc1ccc(Br)cc1)NCCCN1CCc2ccccc21 29520629 WSCGSDFNMAOCBU-UHFFFAOYSA-N 373.294 3.561 0 40 FHAB COc1ccc2c(c1)CCCN2C(=O)COC12CC3CC(CC(C3)C1)C2 30952903 KVIIHBRHQFBEPO-UHFFFAOYSA-N 355.478 3.960 0 40 FHAB CCCC[C@](C)(O)C/C=C/[C@@H]1[C@@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 31262186 CNWGPXZGIIOYDL-YDHIKHRVSA-N 368.514 3.865 0 40 FHAB COC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)c(C)c1 31727403 FJNUHSSAEXDOAT-AWEZNQCLSA-N 353.418 3.676 0 40 FHAB COc1cccc(C(=O)N(Cc2ccc3cc[nH]c3c2)C2CC2)c1OC 32101975 HAORRJUCZRTWKJ-UHFFFAOYSA-N 350.418 3.990 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 33028705 VEEKSZGZZUZPKY-HNAYVOBHSA-N 372.490 3.796 0 40 FHAB Cc1c(C(=O)N2CCC(C(=O)N3CCCC3)CC2)oc2ccc(Cl)cc12 39536538 JQHPVJIGLJSWNB-UHFFFAOYSA-N 374.868 3.869 0 40 FHAB CSc1nccn1-c1cccc(C(=O)N2CCC[C@H]2c2ccncc2)c1 40135771 SIMVGPAMBMFKFL-SFHVURJKSA-N 364.474 3.967 0 40 FHAB C[C@H]1CN(c2ccc(NC(=O)c3cc4cc(F)ccc4[nH]3)cn2)C[C@@H](C)O1 40154861 XBDOALDFTBSDHC-BETUJISGSA-N 368.412 3.568 0 40 FHAB CC(C)C[C@@H](NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)c1cccs1 40157309 UMBBGWIZUPAWHY-XJKSGUPXSA-N 370.474 3.636 0 40 FHAB COc1ccc(-c2cc(C(=O)N3C[C@H](C)Oc4ccccc43)no2)cc1 41155595 RHMZJMMXYQBACQ-ZDUSSCGKSA-N 350.374 3.778 0 40 FHAB Cc1ccc(CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 44848728 XUECNQRECGASBG-UHFFFAOYSA-N 359.429 3.501 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCCN1CCc2ccccc21 44884936 KHZKTCTWAOCLID-FQEVSTJZSA-N 356.441 3.552 0 40 FHAB CCOc1cc(NC(=O)N(C)Cc2ccc(OC)c(F)c2)ccc1OC 47581707 LPQFODSSKVNOJV-UHFFFAOYSA-N 362.401 3.906 0 40 FHAB Cc1noc(C)c1CC(=O)N1CCC[C@H]1c1ccc(Br)cc1 48374373 WQPRVMHQYAGVLR-INIZCTEOSA-N 363.255 3.960 0 40 FHAB COCc1ccccc1C(=O)Nc1ccc(N2CCSCC2)cc1C 50493911 ZEZMGPCZDPKXEN-UHFFFAOYSA-N 356.491 3.947 0 40 FHAB Cc1ccc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1Cl 54225106 ZCRUBESNBBLDRG-UHFFFAOYSA-N 361.848 3.548 0 40 FHAB CC(C)OCCCNCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 58219030 DETSPDDTDUKUIV-UHFFFAOYSA-N 357.479 3.556 0 40 FHAB O=C(NC1CCN(CC2CCCCC2)CC1)N[C@H]1CCOc2ccccc21 58407668 LKAQDEVJECHQLD-FQEVSTJZSA-N 371.525 3.854 0 40 FHAB COc1ccccc1-c1cc(C(=O)Nc2cnc(C(C)(C)C)nc2)no1 58423427 GVCKLGAQQBGPKY-UHFFFAOYSA-N 352.394 3.690 0 40 FHAB CC(C)(C)n1ncc(NCCOc2ccc3c(c2)CCC3)c(Cl)c1=O 64538330 CSVNUFXGIXSSTF-UHFFFAOYSA-N 361.873 3.631 0 40 FHAB CCCNC(=O)COc1ccccc1-c1nc(-c2ccc(C)cc2)no1 64579638 BPSGDOUGJBPZLC-UHFFFAOYSA-N 351.406 3.617 0 40 FHAB N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NCc1ccccc1 66348635 XJQKCRJVAIXEBV-SDHOMARFSA-N 374.528 3.709 0 40 FHAB Cc1nccc(-c2cccc(NC(=O)N(C)Cc3cnc(C)s3)c2)n1 69508594 MJQJIWZSPIZNSY-UHFFFAOYSA-N 353.451 3.881 0 40 FHAB Cc1ccc(-c2cc(NC(=O)Cn3cncn3)nc(-c3ccccc3)c2)cc1 71794387 HFTWUWVZJGUFSD-UHFFFAOYSA-N 369.428 3.954 0 40 FHAB CCc1c(C(=O)NCCc2ccc(N(C)C)cc2)[nH]c2ccc(F)cc12 71863693 MUYUEZAKMLKZSO-UHFFFAOYSA-N 353.441 3.908 0 40 FHAB Cc1ccccc1Cc1cccc(C2CCN(C(=O)c3cnccn3)CC2)n1 72349209 SEORQYISPBNUCY-UHFFFAOYSA-N 372.472 3.791 0 40 FHAB Cc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@H]1SCCc2sccc21 76091682 XQKNSNGSASSLAI-WBMJQRKESA-N 361.488 3.957 0 40 FHAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1c2ccccc2SC[C@H]1C 79048524 YNVNPSDWVNIOGM-GFCCVEGCSA-N 365.524 3.770 0 40 FHAB CCOc1ccc(NC(=O)Nc2c(C)nn(C)c2OC)c(C(F)(F)F)c1 79052634 WRZMYHXCKOSFCC-UHFFFAOYSA-N 372.347 3.799 0 40 FHAB Cc1nc(COC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)oc1C 84061492 DDTYOJCHDYGLOE-UHFFFAOYSA-N 350.589 3.586 0 40 FHAB O=S(=O)(Cc1coc(-c2cccc(Cl)c2)n1)CC1(O)CCCCC1 89774690 QYCYSRRMWSQCOV-UHFFFAOYSA-N 369.870 3.605 0 40 FHAB COc1c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2nn1C 90608795 RZKQLLDUGOCNQA-UHFFFAOYSA-N 363.461 3.677 0 40 FHAB Cc1ccc(NC(=O)CNc2ccccc2[C@@H](O)C(F)(F)F)c(C)c1 95464728 ZAHMNHKBTRBLGX-QGZVFWFLSA-N 352.356 3.950 0 40 FHAB Clc1ccc2nnn(OCc3csc(CCc4ccccc4)n3)c2c1 95964524 OCKKQMCASHWUCO-UHFFFAOYSA-N 370.865 3.955 0 40 FHAB COc1cccc(-n2cnc3c2[C@H](c2ccc(F)c(F)c2)CC(=O)N3)c1 96335722 KAGLQCTYDKULBX-AWEZNQCLSA-N 355.344 3.633 0 40 FHAB COc1ccc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2ccc(OC)cc2)cc1 100766741 NQBTVEXWNSQKSA-WOJBJXKFSA-N 367.489 3.824 0 40 FHAB O=C(Nc1ccccc1)C(=O)C(C(=O)c1ccccc1)C(=O)c1ccccc1 100929035 FUYYKUADWBCTLK-UHFFFAOYSA-N 371.392 3.576 0 40 FHAB C[C@H](NC(=O)COc1cccc(Br)c1)[C@@H]1C[C@H]2CC[C@H]1C2 108869862 FDRDZYSCVFNPHX-QCQGSNGOSA-N 352.272 3.769 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)cc1C 219523594 HMACLDMWHSUOSF-AWEZNQCLSA-N 371.462 3.841 0 40 FHAB Cc1ccc(CN(C(=O)Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)cc1 225534729 YWSSRQOOWRBSJG-IBGZPJMESA-N 366.505 3.788 0 40 FHAB COc1ccc(CCCNC(=S)Nc2c(F)cccc2F)cc1OC 225627673 VGNUCKSRMLNAPF-UHFFFAOYSA-N 366.433 3.901 0 40 FHAB CCOC(=O)c1cc(NC(=O)[C@](C)(CC(C)C)OCC)ccc1OC 225818732 KCKSKZBAXQFAPT-IBGZPJMESA-N 351.443 3.652 0 40 FHAB O=S(=O)(NNc1ccccc1)c1cc(Cl)c(Cl)cc1Cl 226856026 NJJUKKDNEMRICY-UHFFFAOYSA-N 351.642 3.952 0 40 FHAB CC(=O)N1[C@H](c2cccc(C(F)(F)F)c2)C[C@]2(C)NC(=O)CCCC[C@H]12 257248908 JFTUXHRYSZOPJQ-BQFCYCMXSA-N 368.399 3.816 0 40 FHAB CCNc1nc(C)c(C(=O)N2C[C@H]3[C@@H](Oc4ccccc4)CC[C@H]3C2)s1 257299641 RQXDRTKMWGAGHE-UAGQMJEPSA-N 371.506 3.813 0 40 FHAB O=C(O)CCc1ccc(-c2ccccc2)n1NC(=O)c1ccc(F)cc1 408972169 TWGVKVCXRLUKKH-UHFFFAOYSA-N 352.365 3.695 0 40 FHAB Cc1nc2ccccc2c(=O)n1Cc1nc(-c2ccc(C(C)C)cc2)no1 557139815 LSBBNWDWVOMRQM-UHFFFAOYSA-N 360.417 3.927 0 40 FHAB CC(C)c1n[nH]c(CNC(=O)N2CC3(CCCC3)[C@@H]2c2ccccc2)n1 563067528 QAQWQJAXUYHHLD-KRWDZBQOSA-N 353.470 3.755 0 40 FHAB Cc1ccc(C)c(-n2ncc(NCc3nnc4n3CCCCC4)c2C)c1 564734385 HFEXITMPYVJHRB-UHFFFAOYSA-N 350.470 3.728 0 40 FHAB Cn1nc(C2CC2)nc1COc1ccc2c(c1)OC1(CCCCC1)CC2=O 567166517 BZJAAFQJZPNXJP-UHFFFAOYSA-N 367.449 3.940 0 40 FHAB CC(C)C[C@@H](C(=O)N1CCN(C/C=C/c2ccccc2)CC1)n1cccc1 575443582 SXOJRFDJXKWZTR-NJTIBFSMSA-N 365.521 3.933 0 40 FHAB COc1cccc(C2(C(=O)N=c3cc(C)n(C4CCCCC4)[nH]3)CC2)c1 585085253 QCABSUCPVKQXCW-UHFFFAOYSA-N 353.466 3.798 0 40 FHAB CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCC3(CC2)CC3(F)F)CC1 827917504 SWGDJWDUUNPQLI-UHFFFAOYSA-N 372.456 3.671 0 40 FHAB COc1ccc(C)c2sc(N3C[C@H]4CN(c5ccccn5)C[C@@H]4C3)nc12 2298100651 BMZVMOYRLMXCCO-HUUCEWRRSA-N 366.490 3.581 0 40 FHAB C[C@@H](NC[C@@H](c1ccco1)N1CCCCC1)C(=O)Nc1ccc(F)cc1 22804449 RTUNJAOKVMRPCL-QAPCUYQASA-N 359.445 3.563 0 40 FHAB CCc1n(C[C@@H](O)COc2c(C)cccc2C)c2ccccc2[n+]1CC 781047 ZNSXWPHELDQNOT-GOSISDBHSA-N 353.486 3.568 0 40 FHAB CCc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)cc1 832548 BQSSFYMSAZEEOG-UHFFFAOYSA-N 366.490 3.699 0 40 FHAB O=C(Cn1nnc2ccccc21)Nc1cc(C(F)(F)F)ccc1Cl 873382 ATUBAHLGUIKXBC-UHFFFAOYSA-N 354.719 3.742 0 40 FHAB COC[C@@H]1CCCN(C(=O)Nc2ccc(OCCc3ccccc3)nc2)C1 77527736 DZRHAWNLUAARKH-GOSISDBHSA-N 369.465 3.593 0 40 FHAB CC(=O)c1ccc(N2C(=O)c3ccc(C(=O)c4ccccc4)cc3C2=O)cc1 822912 SNQUYMBLTCVUMM-UHFFFAOYSA-N 369.376 3.921 0 40 FHAB COc1ccccc1[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2C)C1 78847094 VVBKVZWAINHKNU-AWEZNQCLSA-N 365.882 3.835 0 40 FHAB CCc1cc2c(SCN3C(=O)c4ccccc4C3=O)ncnc2s1 6944594 LOZXEQOXJMQSQU-UHFFFAOYSA-N 355.444 3.600 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c(C)c1 7050211 FBKYWJLCGYBHNW-INIZCTEOSA-N 355.463 3.529 0 40 FHAB CCN1CCN(c2ccccc2NC(=O)CCCc2cccs2)CC1 12537050 CXBWENALYZBWEI-UHFFFAOYSA-N 357.523 3.851 0 40 FHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1c(F)cccc1Cl 8349363 UZYSUAYKKUXXRE-ZDUSSCGKSA-N 372.831 3.822 0 40 FHAB CC(C)(C)OC(=O)Nc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 8699155 YHJJSEHJTOCAFF-ZDUSSCGKSA-N 366.414 3.684 0 40 FHAB CC1(C)CC(=O)c2sc(NC(=O)Cc3c[nH]c4ccccc34)nc2C1 48011244 QCWOCRJPYWSELH-UHFFFAOYSA-N 353.447 3.961 0 40 FHAB CN(C)[C@@H](CNC(=O)c1cccnc1Oc1ccccc1)c1cccs1 25537948 GIWLQWXOEYZUDS-KRWDZBQOSA-N 367.474 3.968 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)N[C@@H](c1ccccc1)C1CC1 43667603 AZXBGWVYQWOIFF-IBGZPJMESA-N 353.422 3.926 0 40 FHAB Cc1cccc(Cn2cccc(C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c2=O)c1 108068611 LONFNIJLAAEPRS-MEZWHVQBSA-N 364.489 3.760 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(Cl)nc(Cl)c1 3298442 ADGDQSJQZSOKOX-JTQLQIEISA-N 365.216 3.523 0 40 FHAB Cc1ccc(OCCN(C)C(=O)Nc2ccccc2-n2cccn2)cc1 48151716 FUSPBMJPNYWHSZ-UHFFFAOYSA-N 350.422 3.723 0 40 FHAB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(Cc1ccncc1)CO3 57120670 UXTXZIMJQQIHGH-UHFFFAOYSA-N 356.809 3.810 0 40 FHAB C[S@](=O)c1cccc(NC(=O)N[C@H](c2ccccc2)C(F)(F)F)c1 95960204 BZXCJBIBVKMCGH-JBEBIEQOSA-N 356.369 3.849 0 40 FHAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)N(C)c3ccccc3)n2C)cc1 10264143 MBWQQYNQDRLUFD-OAHLLOKOSA-N 366.490 3.934 0 40 FHAB CC(C)(C(=O)N1CCC(NC(=O)C2CCCCC2)CC1)c1ccccc1 58201835 XGNJQZPROUTPAW-UHFFFAOYSA-N 356.510 3.652 0 40 FHAB O=C1C[C@H](C(=O)Nc2ccc(Br)cc2)c2ccc(F)cc2N1 12766561 VCBCQPVUPAJQIT-ZDUSSCGKSA-N 363.186 3.653 0 40 FHAB Cn1cccc1[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1Cl 12747325 ATFBNELGYMQVHN-CQSZACIVSA-N 359.278 3.858 0 40 FHAB COc1ccccc1[C@@H](C)N(C)C(=O)NC[C@@H]1COc2ccccc2C1 45128960 LQYJGXVBNTYJMQ-HZPDHXFCSA-N 354.450 3.649 0 40 FHAB CCn1c2ccccc2c2cc(NC(=O)CNC[C@H]3CCCO3)ccc21 3330998 WEQMXWTVSYUUSB-MRXNPFEDSA-N 351.450 3.522 0 40 FHAB C[C@H](Sc1nnc(NCc2ccccc2)s1)C(=O)NCc1ccco1 3356375 FYLNYQFPBMTJBW-LBPRGKRZSA-N 374.491 3.540 0 40 FHAB C[C@@H](NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 3318762 PGHWYHOGWDHQAR-GFCCVEGCSA-N 351.324 3.740 0 40 FHAB CCc1nnc([C@H]2Cc3ccccc3CN2Cc2cn3ccccc3n2)o1 59368221 HUFJPRWZXKVIHK-GOSISDBHSA-N 359.433 3.579 0 40 FHAB Cc1ccc(Cl)cc1NCC(=O)Nc1ccc(N2CCCC2=O)cc1 11550186 AOKKJQWIEQVOBV-UHFFFAOYSA-N 357.841 3.826 0 40 FHAB C[C@@H](NC(=O)CSc1ccccc1Cl)c1ccc(NC(N)=O)cc1 45834619 WGAWQVFCYMLWFI-LLVKDONJSA-N 363.870 3.800 0 40 FHAB CC(C)c1ccccc1NCC(=O)Nc1ccc(N2CCCC2=O)cc1 11621791 VXPWQBQOZFKSEY-UHFFFAOYSA-N 351.450 3.987 0 40 FHAB Cc1cc(-c2cc(C(=O)NC[C@@H]3CCCO3)c3c(C)noc3n2)c(C)s1 12887473 ZGCKHSQHNRAHCH-ZDUSSCGKSA-N 371.462 3.785 0 40 FHAB Cc1c(-c2ccccc2)sc2ncnc(NCCCN3CCOCC3)c12 12823548 VUYVXCSGVLCGII-UHFFFAOYSA-N 368.506 3.801 0 40 FHAB COc1cccc(CN(C)C[C@@H](O)COc2cc(Cl)ccc2Cl)c1 2631886 MWCKTMHFLWUHMI-OAHLLOKOSA-N 370.276 3.874 0 40 FHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccc[nH]1)CC2 57885265 SGAHQHTVLJOAKN-NRFANRHFSA-N 362.429 3.820 0 40 FHAB CC(C)Oc1ncccc1CNC(=O)N1CC=C(c2ccc(O)cc2)CC1 46825613 SOBFCOBWYMHYPQ-UHFFFAOYSA-N 367.449 3.573 0 40 FHAB CCCN1CCN(c2ncnc3cc(-c4ccc(OC)cc4)sc23)CC1 12812298 WYSOGVJNXVZIRW-UHFFFAOYSA-N 368.506 3.899 0 40 FHAB O=C(NC[C@H]1COc2ccccc2O1)c1c2c(nc3ccccc13)CCCC2 12894635 WCASYBREGKPRJH-HNNXBMFYSA-N 374.440 3.683 0 40 FHAB Cc1ccc([C@H]2OCCC[C@H]2CNS(=O)(=O)c2cccs2)cc1 174078970 KPRQHFIGDADGEK-DOTOQJQBSA-N 351.493 3.503 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1C 3428317 ROHYWEOJGMCYSK-UHFFFAOYSA-N 370.327 3.959 0 40 FHAB CCOc1ccccc1NC(=O)CSc1nc(-c2ccccc2)n[nH]1 3550429 OTGSIMOTZPPXHQ-UHFFFAOYSA-N 354.435 3.601 0 40 FHAB COc1cc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc(Cl)c1OC 13001854 CZPMPJQGCLCFPJ-UHFFFAOYSA-N 374.828 3.935 0 40 FHAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cccc(Cl)c1-n1cccn1 84678418 XRLMBXKIIWZWKT-KZULUSFZSA-N 369.808 3.693 0 40 FHAB CCN(CC)c1ccc(-c2nnc(SCc3cnc(C)cn3)n2C)cc1 84774024 YRHULVIMLWTNAZ-UHFFFAOYSA-N 368.510 3.719 0 40 FHAB CC[C@H](C)[C@@H](CO)NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 13723680 FPZROPSTXSNIAG-XHDPSFHLSA-N 352.887 3.529 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1cnn(Cc2ccc(F)cc2)c1 27920492 GBGABUFRQOQWMP-UHFFFAOYSA-N 359.788 3.985 0 40 FHAB CC(=O)NCCc1nc2ccccc2n1CCCCOc1ccc(C)cc1 4385691 AMJOUIJIANRLPL-UHFFFAOYSA-N 365.477 3.883 0 40 FHAB O=C(NCCc1nnc2n1CCCCC2)Nc1ccc(Cl)c(Cl)c1 14093003 ZGAYQBLVBCDGHU-UHFFFAOYSA-N 368.268 3.676 0 40 FHAB COc1ccc2c(c1)CCc1cc(C(=O)OCc3nnc(C)o3)sc1-2 5435668 JWAJVVOHXMVILK-UHFFFAOYSA-N 356.403 3.571 0 40 FHAB COc1cc(CN(C)[C@@H](C)C(=O)NC2CCCCC2)ccc1OC(F)F 6583016 PVHVVNHGNKXNQP-ZDUSSCGKSA-N 370.440 3.566 0 40 FHAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccc2c3c(cccc13)CC2 24871416 WRVHEWBDLKEYHR-UHFFFAOYSA-N 358.397 3.875 0 40 FHAB CC(C)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccncc3)=NN12 5575709 UIJKUKUBGOTTQZ-FQEVSTJZSA-N 362.477 3.826 0 40 FHAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccoc2C)n1C 6609972 YKFNKMUYMAYOIN-UHFFFAOYSA-N 357.435 3.887 0 40 FHAB COC(=O)[C@@H](Oc1ccc2c3c(c(=O)oc2c1C)CCC3)c1ccccc1 4747468 FSVYEIWBNIKIGA-FQEVSTJZSA-N 364.397 3.883 0 40 FHAB COc1cccc(-c2nnc(S[C@@H](C)C(=O)c3ccc(F)cc3)n2C)c1 9450787 XCOOHUMXIZNUHE-LBPRGKRZSA-N 371.437 3.993 0 40 FHAB COc1ccc(C(=O)COC(=O)CSc2ccc3c(c2)CCC3)cc1F 6852063 YJGDQHRZVVAITD-UHFFFAOYSA-N 374.433 3.841 0 40 FHAB COc1cccc([C@H](C)NC(=O)COC(=O)c2cc(Cl)ccc2F)c1 67198251 XWCXMKQJZMPSNU-NSHDSACASA-N 365.788 3.522 0 40 FHAB CCCCCc1ccc(N[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 7220736 QGAVTQZFCPOYST-OAHLLOKOSA-N 353.466 3.957 0 40 FHAB CCOc1ccc(CN2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 16499690 UDAPFMMBKMHDMQ-UHFFFAOYSA-N 357.429 3.574 0 40 FHAB CCCN(C)C[C@@H]1CCN(C(=O)c2ccc(-c3ccsc3)nc2C)C1 81363263 GNHHAEVCDGSIQM-INIZCTEOSA-N 357.523 3.922 0 40 FHAB CCCCN1Cc2cc(C(=O)c3cc(Cl)ccc3O)cnc2NC1=O 8394169 NXAJROYLHIOORP-UHFFFAOYSA-N 359.813 3.819 0 40 FHAB C[C@H](Sc1nc(-c2ccncc2)n[nH]1)C(=O)Nc1ccc(Cl)cc1 8488700 MYWIFLZSBVJVDL-JTQLQIEISA-N 359.842 3.639 0 40 FHAB O=C(Nc1nc2ccccc2[nH]1)c1cccc(OCc2cscn2)c1 8725261 SQBPYCZDKICSMC-UHFFFAOYSA-N 350.403 3.851 0 40 FHAB CCc1nnc(NC(=O)CSCc2cccc(Br)c2)s1 8776485 LGPKOGCTBFNPGD-UHFFFAOYSA-N 372.313 3.735 0 40 FHAB CCn1c(C)cc(C(=O)CSc2nnc(N3CCCC3)n2C2CC2)c1C 8705557 DNGIQZLJFRZMKZ-UHFFFAOYSA-N 373.526 3.626 0 40 FHAB C[C@](O)(CNC(=O)c1ccccc1Br)c1ccccc1Cl 97143440 GNAFAVYGAFUMPL-INIZCTEOSA-N 368.658 3.740 0 40 FHAB COc1cc(C(=O)NCc2nc3c(s2)CCCC3)cc(Cl)c1OC 72318908 XKDQNBSJXNMBTC-UHFFFAOYSA-N 366.870 3.623 0 40 FHAB C[C@H](NC(=O)CSc1nncn1C1CC1)c1cccc2ccccc12 9983456 RKDRYCFSPBIUAS-ZDUSSCGKSA-N 352.463 3.736 0 40 FHAB CN(C)c1cc(-c2noc(Cc3c[nH]c4ncccc34)n2)c2ccccc2n1 546446143 RYYXHFPRBLLCBL-UHFFFAOYSA-N 370.416 3.818 0 40 FHAB Cc1ccccc1OCC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 27664277 MAOIBXXALUGVLE-IBGZPJMESA-N 372.896 3.981 0 40 FHAB Cc1cc(N2CCOCC2)ncc1[C@@H]1CCCCN1C(=O)c1ccccc1 72219436 PDJVHPPFINGXSH-FQEVSTJZSA-N 365.477 3.594 0 40 FHAB Cc1ccccc1N1C[C@H](C(=O)NCc2ccc(C(C)C)cc2)CC1=O 408708646 RWZYZPLWKALSAZ-LJQANCHMSA-N 350.462 3.788 0 40 FHAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 72601035 HTYSHGIWTLMXLB-KRWDZBQOSA-N 369.534 3.866 0 40 FHAB Cc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1C 30861131 AEBBWRKHPVRCLZ-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB Cc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1)c1c(c3ccccc3sc1=O)O2 72408131 WTDDWDYBOHJRDP-OAHLLOKOSA-N 374.421 3.939 0 40 FHAB O=C(N[C@H](c1ccccc1)C1CCCCC1)c1cnc2sccn2c1=O 32380069 QHPKXISQSFAZNG-QGZVFWFLSA-N 367.474 3.807 0 40 FHAB O=C(CSc1nnc(-c2ccc(O)cc2)o1)Nc1cccc(Cl)c1 35313303 GBZKITKSEYVIIZ-UHFFFAOYSA-N 361.810 3.826 0 40 FHAB Cc1ccc(CC(=O)Nc2cccc(CN(C)C(=O)C(F)(F)F)c2)cc1 31373276 TXFDWOZGIKPNMP-UHFFFAOYSA-N 364.367 3.697 0 40 FHAB CCc1noc(-c2cccc(OCC(=O)Nc3ccccc3Cl)c2)n1 33012462 IYZFZLNJHCKHAK-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB COc1ccccc1N1CCN(C(=O)CSCc2cccc(C)c2)CC1 70711031 MCAIMXFHVASBCO-UHFFFAOYSA-N 370.518 3.586 0 40 FHAB Cc1ccccc1OCCCOc1ccccc1/C=C1/SC(=N)NC1=O 41077997 RVSXSGNFGAKXIQ-QGOAFFKASA-N 368.458 3.982 0 40 FHAB Cc1nc2cc(NC(=O)CC[C@H]3CCC(=O)N3)ccc2n1C1CCCCC1 72391810 RJUFDQWZWRAWKC-OAHLLOKOSA-N 368.481 3.847 0 40 FHAB CCOc1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1OCC 44901097 FKYFQGBZMMPSCN-UHFFFAOYSA-N 371.433 3.827 0 40 FHAB CN(Cc1cccc(Cl)c1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 40104256 FYDSETDUZQNNNM-UHFFFAOYSA-N 357.841 3.896 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 223014378 DRUTWQHGHNKXRX-LJQANCHMSA-N 370.518 3.641 0 40 FHAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C(=O)NCC)c1ccccc1 223548619 VCBVWUBHYDEXEP-OAQYLSRUSA-N 368.477 3.701 0 40 FHAB CC(C)(C)SCCNC(=S)Nc1cccc(N2CCCC2=O)c1 225352460 DNHCABWPXBKXSQ-UHFFFAOYSA-N 351.541 3.632 0 40 FHAB COCCNC(=O)c1ccc(Nc2cccc(Cl)c2Cl)c(N)c1 225427477 QCRZOVXOPASPON-UHFFFAOYSA-N 354.237 3.695 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)NCCOc1ccc(Cl)cc1 224615656 MOVPQRPZDFCFFU-MRXNPFEDSA-N 351.805 3.832 0 40 FHAB O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=S)Nc1ccc(F)cc1 225459930 JHKFUALSCQJDER-HNNXBMFYSA-N 373.453 3.543 0 40 FHAB CN(C)C(=O)C[C@H]1CC2(CCN(Cc3ccco3)CC2)Oc2ccccc21 96053142 CSJKULSSWBWSBR-KRWDZBQOSA-N 368.477 3.659 0 40 FHAB COc1ccc(Oc2ncnc3c2cnn3-c2ccc(F)cc2)c(OC)c1 96346853 GXBWGVWVNPZWPL-UHFFFAOYSA-N 366.352 3.764 0 40 FHAB Cc1n[nH]c(O)c1[C@H](c1ccc(-c2ccccc2)o1)c1c(O)n[nH]c1C 96193525 RFXSOSIJUGZXHS-UHFFFAOYSA-N 350.378 3.601 0 40 FHAB O=C(Nc1cccs1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 245171691 XQGZSLVILLREQR-LLVKDONJSA-N 356.373 3.562 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 243545800 OHKQHDXXMXLLAW-UHFFFAOYSA-N 350.198 3.942 0 40 FHAB O=C(CCc1ccccc1)N1CC[C@H](c2ccnc(Nc3ccccn3)n2)C1 257212907 CFKBFPTUPJVAFK-SFHVURJKSA-N 373.460 3.564 0 40 FHAB COc1ccc(-c2nn3c(CSC(C)C)nnc3s2)c(OC)c1 1776111015 MCADFKNONKCHFS-UHFFFAOYSA-N 350.469 3.512 0 40 FHAB CC1(C)CC[C@H]2C[C@@H](NC(=O)c3ccnc4c3CC(=O)N4)c3cccc1c32 613279536 QOCBIRYFICBQOA-YVEFUNNKSA-N 361.445 3.606 0 40 FHAB O=C(CCC(=O)c1cccs1)NC[C@@H](O)c1ccccc1C(F)(F)F 58342680 TWFNQCMWFSECLW-CQSZACIVSA-N 371.380 3.580 0 40 FHAB CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 560699026 ATIMYBNIVRLNPH-GQGQLFGLSA-N 370.415 3.618 0 40 FHAB O=C1NC(c2ccc(Br)cc2)=N/C1=C\C=C\c1ccccc1 864685 TULLRXKQXYUKOZ-QSJINSDNSA-N 353.219 3.923 0 40 FHAB O=C(Nc1cccc(F)c1)c1cccn(Cc2ccccc2Cl)c1=O 5269833 BAPRHGZSQKJSQN-UHFFFAOYSA-N 356.784 3.941 0 40 FHAB CC(C)CNCc1cc2ccc(Cl)cc2n(Cc2ccccn2)c1=O 12079461 SQXXUCNMHPOIAT-UHFFFAOYSA-N 355.869 3.844 0 40 FHAB Cc1ccc2c(c1)c(C)c(C(=O)NCCc1nc(-c3ccccc3)no1)n2C 12148444 CPDBFGJBFBZLQM-UHFFFAOYSA-N 374.444 3.818 0 40 FHAB c1ccc(CN2CCCN(c3nccc(-c4cccs4)n3)CC2)cc1 13567005 AVPYHWYLLGAUTE-UHFFFAOYSA-N 350.491 3.917 0 40 FHAB C[C@@H](CNC(=O)c1ccc(I)cc1)c1ccccc1 15744783 DNJUPBQVYWCDAG-LBPRGKRZSA-N 365.214 3.825 0 40 FHAB Cc1cc(-n2c(C)cc(/C=C/C(=O)NCCc3ccc(F)cc3)c2C)no1 8274799 WFVYWIUYMHNMRR-RMKNXTFCSA-N 367.424 3.902 0 40 FHAB Cc1cc(/C=N/c2cccc(C(=O)O)c2)c(C)n1NC(=O)c1ccccc1 8334653 MGHGBTSUSWMBMC-LPYMAVHISA-N 361.401 3.938 0 40 FHAB CCn1nccc1-c1ccc(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cn1 2037670905 IZJRNRHYMQKOEK-KRWDZBQOSA-N 354.498 3.792 0 40 FHAB COc1cc2ccccc2cc1C(=O)Nc1c(C(N)=O)oc2ccccc12 2483625 RNPHZCZVRZNYEL-UHFFFAOYSA-N 360.369 3.946 0 40 FHAB CCOc1ccc(CC(=O)N2CCN=C2SCc2ccccc2F)cc1 4120559 URETVUBBICXTTO-UHFFFAOYSA-N 372.465 3.899 0 40 FHAB COc1ccc(NC(=O)CSc2nnc(-c3cc(C)oc3C)o2)cc1 11835529 JDAVBHAGYCOZHZ-UHFFFAOYSA-N 359.407 3.686 0 40 FHAB COc1cc2c(cc1OC)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 33884270 NJINVTPOJJDKII-QGZVFWFLSA-N 370.518 3.700 0 40 FHAB C[C@@H]1Nc2ncnn2[C@@H](c2ccccc2)[C@H]1C(=O)Nc1ccc(Cl)cc1 36701504 PPYDHAFKAWNMRG-ZLIFDBKOSA-N 367.840 3.590 0 40 FHAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)N(C)c2cc(F)ccc2F)CC1=O 76735093 HXDXPEZZVYWJMC-HIFRSBDPSA-N 358.388 3.537 0 40 FHAB CN1CCN(C(=O)CSc2ccccc2Cl)[C@H](c2ccccc2)C1 30029467 FONUBQGEQULFDN-KRWDZBQOSA-N 360.910 3.947 0 40 FHAB O=C(CCc1nc2ccccc2[nH]1)NCc1cccnc1OC1CCCC1 31993743 FWJVLUGTEJCQCR-UHFFFAOYSA-N 364.449 3.528 0 40 FHAB COC(=O)c1c(C)[nH]c(-c2ccsc2)c1[C@@H]1C(=O)Nc2ccccc21 101627078 FQRDPUJSDSLGQR-OAHLLOKOSA-N 352.415 3.922 0 40 FHAB CC(C)(C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1)c1ccccc1 32760612 XJPPKOCBNQRDMT-QGZVFWFLSA-N 366.509 3.688 0 40 FHAB C[C@@]1(C(=O)Nc2scnc2-c2ccccc2)Cc2ccccc2C(=O)O1 102725673 KPWHFDFUJVDLHR-FQEVSTJZSA-N 364.426 3.920 0 40 FHAB O=C(CNc1cc(F)cc(F)c1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 53815405 CVNJTNSNIDPAMC-MRXNPFEDSA-N 371.343 3.941 0 40 FHAB Cc1sc(NC(=O)COc2ccc3ccccc3c2)c(C(N)=O)c1C 778820 OXZCYVOJIAUOIX-UHFFFAOYSA-N 354.431 3.635 0 40 FHAB Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(Cl)cc1 869894 VHECMKCDGWXNLT-UHFFFAOYSA-N 358.854 3.866 0 40 FHAB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc2c(n1)[nH]c1ccccc12 892347 RBTPPTCYSRUGPU-LBPRGKRZSA-N 363.446 3.934 0 40 FHAB CCc1ccc2[nH]c(=O)c(CN(C(=S)NC)C3CCCCC3)cc2c1 916832 JSVQAECCVCYKHG-UHFFFAOYSA-N 357.523 3.730 0 40 FHAB Nn1c(SCc2ccc(Br)cc2)nnc1-c1ccccc1 1442637 SROLUVKXELMJOB-UHFFFAOYSA-N 361.268 3.714 0 40 FHAB C[C@H](SC(=S)N1CCCC1)C(=O)c1cc(Br)ccc1O 2352647 BNGAUTQLTJQKGF-VIFPVBQESA-N 374.325 3.840 0 40 FHAB COc1ccccc1[C@@H](CNC(=O)c1cc(C)nc2ccccc12)N(C)C 3355011 LZQCSZBEGRZREP-HXUWFJFHSA-N 363.461 3.585 0 40 FHAB Cn1c(C(F)(F)F)nn(CN2CC=C(c3ccccc3)CC2)c1=S 3362177 JZTOZEOBKZSUCI-UHFFFAOYSA-N 354.401 3.717 0 40 FHAB COc1ccc(C(=O)OCC(=O)Nc2ncc(Cl)c(C)c2Cl)cc1 3392020 HEXOLYBDRBKHSR-UHFFFAOYSA-N 369.204 3.501 0 40 FHAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccoc2C)n1C 4860462 LDNWTGJBWFTLCZ-UHFFFAOYSA-N 356.451 3.731 0 40 FHAB COc1ccc(Nc2ncnc3c2cnn3-c2cccc(C)c2)cc1OC 4869536 NDHVYEPEGSUFQM-UHFFFAOYSA-N 361.405 3.885 0 40 FHAB CSCC[C@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)O 5150714 GASPUQRCRGKXBK-INIZCTEOSA-N 360.435 3.807 0 40 FHAB Nc1nc(SCc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)n[nH]1 5634276 AUZWKXLBUFEGHA-UHFFFAOYSA-N 359.842 3.585 0 40 FHAB CCCn1c(O)c(C(=O)Nc2cc(C)cc(C)c2)c(=O)c2ccccc21 5739095 IUDLOIKSVIONGG-UHFFFAOYSA-N 350.418 3.986 0 40 FHAB CC1=C(C(=O)Nc2ccc(C)c(C)c2)[C@H](c2ccccc2F)NC(=O)N1 5753765 CYKLRAAJDKFGEN-SFHVURJKSA-N 353.397 3.709 0 40 FHAB Cc1ccc(-n2c(SCC(=O)C(C)(C)C)nc3ccccc3c2=O)nc1 6107228 ZRADKYVSDAQFIL-UHFFFAOYSA-N 367.474 3.796 0 40 FHAB CC(C)Cn1c(SCC(=O)NC2CCCCC2)nc2ccccc2c1=O 6358217 HGBRNHXDRVQNTC-UHFFFAOYSA-N 373.522 3.594 0 40 FHAB COC(=O)c1ccc([C@H]2SCC(=O)N2c2nc3ccccc3s2)cc1 6721355 JADYWCQWNRDZCA-MRXNPFEDSA-N 370.455 3.862 0 40 FHAB O=C(CSc1nc2ccccc2o1)Nc1ncc(Br)s1 6939589 OEHWMRHUSFLIGG-UHFFFAOYSA-N 370.253 3.778 0 40 FHAB Cc1nnc(S[C@H](C)C(=O)NCc2ccc(F)cc2)n1-c1ccccc1 7171427 SFVIXDMBSBBVDA-CYBMUJFWSA-N 370.453 3.512 0 40 FHAB COCc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1 7719032 LIMPUTRNJKMZTK-UHFFFAOYSA-N 352.434 3.758 0 40 FHAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1ccc(Cl)cn1 7903940 GAFRHGNOXFORHM-VIFPVBQESA-N 363.874 3.658 0 40 FHAB CCS(=O)(=O)N1CCc2cc(-c3csc(-c4ccccn4)n3)ccc21 8938498 JZWVUGNZDAVUBX-UHFFFAOYSA-N 371.487 3.584 0 40 FHAB C[C@H](Sc1nc([C@@H]2CCCO2)n[nH]1)C(=O)Nc1ccc(F)cc1Cl 8940535 KBBPBFMPJCEQDI-UFBFGSQYSA-N 370.837 3.568 0 40 FHAB CC(=O)Nc1cccc(C(=O)NCc2ccccc2CN2CCCCC2)c1 9155025 PFYXUAQPLXKUFG-UHFFFAOYSA-N 365.477 3.561 0 40 FHAB CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(C)c(C)c3)n2)cc1 9205670 LKRPRLKLJNUQHH-UHFFFAOYSA-N 363.417 3.500 0 40 FHAB COc1cccc(N2CCN(C(=O)CCc3ccccc3Cl)CC2)c1 9339010 XZZHRLRGBUGEKI-UHFFFAOYSA-N 358.869 3.630 0 40 FHAB O=C(Nn1c(-c2ccco2)n[nH]c1=S)[C@H]1C[C@H]1c1ccccc1Cl 9544616 BHFINRFVCYUIFX-QWRGUYRKSA-N 360.826 3.728 0 40 FHAB O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1ccc(Cl)cc1 9659397 WILXDVAYNCYBPC-UHFFFAOYSA-N 361.810 3.823 0 40 FHAB CC(C)c1ccc(NC(=O)COCC(=O)N[C@H](C)c2ccccc2)cc1 9851151 HHXHAPZOSCMAOH-MRXNPFEDSA-N 354.450 3.643 0 40 FHAB C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl)c1ccc(-n2cncn2)cc1 10228581 VQRPVVGPYZLRMX-VHSSKADRSA-N 366.852 3.902 0 40 FHAB COc1ccc2nc(-c3ccc(C)c(NC(=O)Cc4ccccc4)c3)cn2n1 11693460 XJTAJTLVVOHSCO-UHFFFAOYSA-N 372.428 3.895 0 40 FHAB COc1cccc(F)c1-c1nc(C(=O)NCc2ccncc2)c(C)s1 11866028 DPTYCRATBFNNGB-UHFFFAOYSA-N 357.410 3.591 0 40 FHAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](NC(C)=O)C(C)C)ccc21 12527061 MZEQLUFSGFTDGZ-FQEVSTJZSA-N 351.450 3.914 0 40 FHAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2c(F)cccc2F)N(C)C(=O)N1C 12898388 YLHOYNOJRFGNJT-SFHVURJKSA-N 371.387 3.916 0 40 FHAB Cc1cc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)ccc1Br 12913843 SVWMRBGHNAWAIO-CYBMUJFWSA-N 359.223 3.822 0 40 FHAB COC(=O)C1CCN(C(=O)CCCOc2ccc(C(C)(C)C)cc2)CC1 13001311 KTVLDNPTMVWMEA-UHFFFAOYSA-N 361.482 3.555 0 40 FHAB CC(C)Cc1cc(-c2nn3c(CCc4ccccc4)nnc3s2)[nH]n1 13570578 SMEQVEVRIWIIAS-UHFFFAOYSA-N 352.467 3.560 0 40 FHAB CSc1ccc(S(=O)(=O)NCCCc2ccc(Cl)cc2)cc1 13671588 UYOXDLJVZKIDFC-UHFFFAOYSA-N 355.912 3.973 0 40 FHAB COc1ccc(CCNC(=S)Nc2ccc(F)c(F)c2)cc1OC 13787597 MLHBDCJWGDARGS-UHFFFAOYSA-N 352.406 3.511 0 40 FHAB Cn1c(-c2ccncc2)nn(CN(Cc2ccccc2F)C2CC2)c1=S 14138204 GXJMPRALTFPMNA-UHFFFAOYSA-N 369.469 3.774 0 40 FHAB C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)NCc1ccc(Cl)cc1 14250050 WXWQVJVQQYHDBT-LBPRGKRZSA-N 372.881 3.922 0 40 FHAB CCOC(=O)c1cccc(NC(=O)c2cc(OCC)cc(OCC)c2)c1 14291400 UIMIMWZVHBCKKD-UHFFFAOYSA-N 357.406 3.913 0 40 FHAB NC(=O)c1ccc(CSc2nnc(-c3cccs3)n2C2CC2)cc1 16133725 PZCQPQXPJCCQFC-UHFFFAOYSA-N 356.476 3.733 0 40 FHAB CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 16182477 HIODMSPKEVFGED-UHFFFAOYSA-N 372.440 3.995 0 40 FHAB NC(=O)c1ccc(COC(=O)C2c3ccccc3Oc3ccccc32)cc1 16747125 GGNGUQTYIOBPRJ-UHFFFAOYSA-N 359.381 3.767 0 40 FHAB CC(C)c1ccc(C(=O)N2CCC[C@H](COc3ccccc3F)C2)c(=O)[nH]1 19453097 VUFVETOZXUTLPR-HNNXBMFYSA-N 372.440 3.569 0 40 FHAB COc1ccc(S(=O)(=O)N(C)C2CCCCC2)c(Cl)c1Cl 20045151 NUUCDHKUNAKQDP-UHFFFAOYSA-N 352.283 3.955 0 40 FHAB Cc1cc(C(=O)O)ccc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 20151629 GOBKGQFTSSXTCD-UHFFFAOYSA-N 356.447 3.943 0 40 FHAB CCCCC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1 21356991 IJCUHZHDBGBDCO-INIZCTEOSA-N 368.543 3.724 0 40 FHAB CC[C@H](C)NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 23016271 VFLAQGWIHWFZCD-JTQLQIEISA-N 363.811 3.885 0 40 FHAB CNC(=O)c1cccc(NC(=O)/C=C/c2c(C)nn(CC(C)C)c2Cl)c1 24039933 AVRMCOUSXGCHBB-CMDGGOBGSA-N 374.872 3.512 0 40 FHAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)N(C)[C@H](C)c1cccs1)C2=O 24236339 DGJLAPFOFYZASU-CQSZACIVSA-N 370.474 3.652 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)N[C@H]2CCSc3ccc(Cl)cc32)no1 25217027 VTOZEWGSHHXBTO-MFKMUULPSA-N 351.859 3.790 0 40 FHAB CCOc1ncccc1CNC(=O)N[C@@H](C)c1ccccc1OC(F)F 26156188 KKDOAMXQONVOEG-LBPRGKRZSA-N 365.380 3.642 0 40 FHAB COc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2cccs2)cc1OC 27954310 QEAOMZDONAVXSA-CYBMUJFWSA-N 367.492 3.600 0 40 FHAB CNc1snc(C)c1C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 31126557 RFTWROVPWHXQBR-GFCCVEGCSA-N 356.451 3.654 0 40 FHAB CC[C@@H](C)N(Cc1ccccc1)C(=O)C1CCN(c2ncccn2)CC1 32926144 YEUDBXZXBKKLSB-QGZVFWFLSA-N 352.482 3.520 0 40 FHAB CC[C@@]12CCCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@H]4CC1)[C@H]32 34173099 ARQOGCYMPUOVHK-BDKRGJGYSA-N 354.494 3.726 0 40 FHAB COc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C)cc1C 35289557 FOMCQYSRQOABCD-GOSISDBHSA-N 367.449 3.947 0 40 FHAB COC(=O)[C@H](CC(C)C)N[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 36107734 PMGRWZMIVIGETJ-PMACEKPBSA-N 366.461 3.519 0 40 FHAB COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(O)c(OC)c2)c1 36365952 AZUVSTCXUGBELG-HNNXBMFYSA-N 365.389 3.719 0 40 FHAB c1ccc(-c2nc(CSc3cc(N4CCOCC4)ncn3)cs2)cc1 36708519 FBTJIGZHIRMAAJ-UHFFFAOYSA-N 370.503 3.729 0 40 FHAB COc1ccc(NC(=O)N2CCN(CCSc3ccccc3)CC2)cc1 40135608 YPDWAGBGZSXJEV-UHFFFAOYSA-N 371.506 3.637 0 40 FHAB C[C@H]1C[C@@H](C)CN(CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)C1 40162228 HNLJQNODBFXMSU-UXLLHSPISA-N 355.438 3.528 0 40 FHAB CCOc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2)cc1 44904769 CXHIQMKPCKOWCL-ZDUSSCGKSA-N 353.871 3.919 0 40 FHAB Cc1cccc(CNC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c1 44977371 PWQOENDLTZEIJM-FQEVSTJZSA-N 364.489 3.780 0 40 FHAB CCOc1ccc(C(=O)Nc2c(C)cc3nc(NN)sc3c2C)cc1 45889361 SISJCSGWSZCNJT-UHFFFAOYSA-N 356.451 3.850 0 40 FHAB C[C@@H](NC(=O)Nc1ccccc1N1CCc2sccc2C1)[C@H]1CCCO1 46971874 KGVRIDWCVNBBER-RDTXWAMCSA-N 371.506 4.000 0 40 FHAB C[C@H](NC(=O)c1cc(C2CC2)nc2ccccc12)c1nnc2ccccn12 48374334 AUSGCMZOJRWCHW-ZDUSSCGKSA-N 357.417 3.646 0 40 FHAB COc1cccc(CNCc2ccc(NC(=O)NC(C)C)cc2)c1OC 48784736 MKGMNMABZAMRJK-UHFFFAOYSA-N 357.454 3.524 0 40 FHAB CCN(CC)C(=O)c1cccc(NCCC(=O)c2ccc3c(c2)OCO3)c1 55174965 VNBUDGXHADQNRB-UHFFFAOYSA-N 368.433 3.582 0 40 FHAB biogenic,in-vitro COc1ccc(NC(=O)COc2c(C)cc(Cl)cc2Cl)cc1N 57340529 PADPMRGQLXKYAH-UHFFFAOYSA-N 355.221 3.910 0 40 FHAB CCN(C(=O)Cn1c(SC)nc2ccsc2c1=O)c1cccc(C)c1 57504835 QXWWXSNZIQJTBU-UHFFFAOYSA-N 373.503 3.541 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)CCc1nc(-c2ccc(F)cc2)no1 58080815 NJPDUKFFJWJUMQ-ZDUSSCGKSA-N 351.381 3.786 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(OC(C)C)s2)c(F)c1 58184719 ZCNHQAADMRWZTF-SNVBAGLBSA-N 355.460 3.892 0 40 FHAB O=C(NC1CCN(C(=O)c2cc(Cl)ccc2F)CC1)C1CCCCC1 58190696 DRNZPGHDFJMVMV-UHFFFAOYSA-N 366.864 3.780 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(C(=O)O)c1 58357655 PMFIXKOHMPPZIQ-UHFFFAOYSA-N 359.325 3.513 0 40 FHAB CC(=O)c1cc(C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)n(C)c1 58491171 UMAPQZMFONUPLP-UHFFFAOYSA-N 355.825 3.561 0 40 FHAB CC(C)c1[nH]ncc1C(=O)OCC(=O)N[C@@H](c1cccs1)C(C)(C)C 61239195 KPFFECDAIGSSAR-INIZCTEOSA-N 363.483 3.655 0 40 FHAB Cc1nc(N[C@@H](C)Cn2cncn2)c2c(-c3ccccc3)csc2n1 69192862 BJBMRMIREMDDPW-LBPRGKRZSA-N 350.451 3.759 0 40 FHAB CC[C@H](C)NC(=O)CSc1ncnc2c(-c3ccc(F)cc3)c[nH]c12 71328188 ZEOVMLNSTMYMIU-NSHDSACASA-N 358.442 3.771 0 40 FHAB COc1ccccc1Cc1nnc(C2(c3ccc(F)cc3)CCOCC2)o1 71889968 DWTZLQOGZKFIAJ-UHFFFAOYSA-N 368.408 3.905 0 40 FHAB COc1c(C=C(Br)Br)cc2c(c1OC)OCO2 78496367 CBAAUMCRTPXZFH-UHFFFAOYSA-N 366.005 3.521 0 40 FHAB CC1(C)C[C@@H](C(=O)Nc2ccc3c(c2)C(O)=Nc2cccnc2O3)CCO1 79484950 GZBRAFGIDFEPAA-LBPRGKRZSA-N 367.405 3.967 0 40 FHAB CC1=Nc2c(c(C)nn2Cc2ccccc2)[C@H](c2ccc[nH]c2=O)S1 79501740 NTQRWMAYQHGYQE-KRWDZBQOSA-N 350.447 3.814 0 40 FHAB CC(C)=CCOc1cccc(C(=O)Nc2cc(C3CCOCC3)[nH]n2)c1 81093576 FBYHJNHLTQSXRJ-UHFFFAOYSA-N 355.438 3.901 0 40 FHAB Cc1ccccc1-n1ncc(C(=O)Nc2cccc(C(N)=O)c2C)c1C1CC1 84247774 GHASITOTPGZFII-UHFFFAOYSA-N 374.444 3.718 0 40 FHAB c1ccc(Cn2ccc(CN3CCC(OC[C@H]4CCCO4)CC3)c2)cc1 92662782 HAOFMOYBTNKNLC-JOCHJYFZSA-N 354.494 3.696 0 40 FHAB CC[C@H](C[C@@H](C)CO)NC(=O)CCCOc1ccccc1Br 95443441 WSBPBKPSJVYFQQ-ZIAGYGMSSA-N 372.303 3.521 0 40 FHAB COc1ccc(NC(=O)N2CCC(CCCN(C)C)CC2)c(Cl)c1 95452799 ZGZSKSQWMCQIRU-UHFFFAOYSA-N 353.894 3.934 0 40 FHAB CC(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3ccc(F)cc3)C[C@H]12 96058461 OODGUKZXVGZWRP-FCHUYYIVSA-N 352.453 3.590 0 40 FHAB CC(C)C(=O)N1CC[C@@H](OCc2ccncc2)[C@@H](Cc2ccccc2)C1 96110316 OIDZAAROHUBZBV-LEWJYISDSA-N 352.478 3.714 0 40 FHAB COC1(CNC(=O)COc2ccc(Cl)cc2)C2CC3CC(C2)CC1C3 96123860 TWBQNDCGLBYSKT-UHFFFAOYSA-N 363.885 3.676 0 40 FHAB CCOC(C(=O)O[C@H]1CCCC[C@@H]1O)(c1ccccc1)c1ccccc1 96509995 ULEOWLNJKYHOSZ-PMACEKPBSA-N 354.446 3.813 0 40 FHAB Cc1ccc(C)c(N2C(=O)C[C@H](Nc3ccccc3Br)C2=O)c1 101275502 FKOJURJADNXYJD-HNNXBMFYSA-N 373.250 3.810 0 40 FHAB Cc1cccc(-c2nc3ccccc3c(=N)n2-c2ccc3cn[nH]c3c2)n1 103798109 YNNRHTFHTOOLIU-UHFFFAOYSA-N 352.401 3.752 0 40 FHAB C[C@@H]1C[C@H]2[C@@H]3CC4(CC4)[C@@](C)(O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@]12O 118936566 IRWYKFPPOMXMCD-IIQJFSGASA-N 362.554 3.892 0 40 FHAB O=C(CSc1nnc(-c2ccccc2Cl)o1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 216032376 IKYCUVQDHMUTNY-JTNHKYCSSA-N 363.870 3.787 0 40 FHAB CCc1ccc([C@H]2[C@@H](C(=O)O)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 218503753 YXAHSTPDEVDJBO-GVDBMIGSSA-N 364.850 3.543 0 40 FHAB CC[C@H](NC(=O)Cc1ccc(C)c(C)c1)c1ccc(S(C)(=O)=O)cc1 218811316 GFZFAORTOJIPGL-IBGZPJMESA-N 359.491 3.517 0 40 FHAB O=C(CCc1ccc2c(c1)OCCO2)NCCCc1ccc(Cl)cc1 222642132 APIUGQQMTGCOLP-UHFFFAOYSA-N 359.853 3.793 0 40 FHAB CC(C)(C)NC(=S)Nc1ncc(Br)cc1Br 223880134 KGYFSIRWZKSIMM-UHFFFAOYSA-N 367.110 3.692 0 40 FHAB Cc1cccc(OCCNS(=O)(=O)Cc2c(F)cccc2Cl)c1C 223933608 WOBUXDCHTCLGFF-UHFFFAOYSA-N 371.861 3.594 0 40 FHAB COc1ccc(CCNC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1 224054818 KCPDNOCKBJTTGE-UHFFFAOYSA-N 355.825 3.507 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1F 224704308 RDHMXEXQSFFXPL-KRWDZBQOSA-N 370.468 3.620 0 40 FHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 225012104 DTVDDVQOXHWIEL-MOPGFXCFSA-N 366.505 3.870 0 40 FHAB CCN(CC)CCCOc1ccc(NC(=O)C(C)(C)Br)cc1 225594804 IKSQOQUZBKXMSL-UHFFFAOYSA-N 371.319 3.909 0 40 FHAB CCOC(C)(C)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1 225647773 PIXZPTCNSGFWIF-UHFFFAOYSA-N 362.514 3.941 0 40 FHAB Cc1nc(-n2cccc2)sc1C(=O)NCc1ccc(-c2ccco2)nc1 225752506 DXWCIWRKZXDNHA-UHFFFAOYSA-N 364.430 3.827 0 40 FHAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 226629216 YBZPUNZGOXWAAB-CHLMMMEMSA-N 367.754 3.916 0 40 FHAB CNc1cc(C)nc([C@H]2CCN(C(=O)c3cc4cccc(F)c4[nH]3)C2)c1 257303954 SJMAREYALDSQIN-AWEZNQCLSA-N 352.413 3.682 0 40 FHAB Fc1cccc(-c2cnc3n2C[C@]2(CCN(Cc4ccsc4)C2)OC3)c1 306131708 KNKQQKWESRIDRI-HXUWFJFHSA-N 369.465 3.926 0 40 FHAB c1ccc(CN2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)nc1 306135557 OURLJPGCAREQQP-IBGZPJMESA-N 370.460 3.566 0 40 FHAB CCCCc1ccc(NC(=O)C(=O)NCc2ccc(OCC)cc2)cc1 408707448 BEUKJPCFZYORLN-UHFFFAOYSA-N 354.450 3.683 0 40 FHAB CC[C@@H](NCCc1c(C)nc2sccn2c1=O)c1ccc(F)cc1F 509008672 ORIHJLZDFFTEBO-MRXNPFEDSA-N 363.433 3.626 0 40 FHAB CO[C@@H](CNC(=O)C(C)(C)c1csc(-c2ccccc2F)n1)C1CC1 511399399 IZWOICUGADPCHH-HNNXBMFYSA-N 362.470 3.768 0 40 FHAB O=C(O)c1ccc(C(=O)N2CCC(c3cccc4ccccc34)CC2)nc1 520944377 BAMBWWQYRIVRGL-UHFFFAOYSA-N 360.413 3.953 0 40 FHAB CC(C)Cc1ccccc1CNC(=O)Nc1cn(C)nc1C(F)(F)F 529059315 SEFOGJMZJDMZBH-UHFFFAOYSA-N 354.376 3.959 0 40 FHAB CC(C)(C)c1ccc(NC(=O)NCC2CCN([C@H]3CCOC3)CC2)cc1 575605277 CJVVAFHSLZOQCZ-IBGZPJMESA-N 359.514 3.607 0 40 FHAB O=C(NCc1ccc(Cl)cc1)NC[C@@H](c1cccs1)n1cccn1 575612420 ADXDMJYMLITBAU-HNNXBMFYSA-N 360.870 3.687 0 40 FHAB O=C(N1CCCc2occc2C1)C1(c2ccc(Cl)cc2)CCOCC1 585083994 OLEBFPXVOTWOTO-UHFFFAOYSA-N 359.853 3.956 0 40 FHAB Cc1cc(C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)nc2ccnn12 585261117 LZGZAEKPDUAHCF-UHFFFAOYSA-N 359.433 3.539 0 40 FHAB O=C(O)c1ccc(CN2CCC[C@@H]2c2nccc(C(F)(F)F)n2)cc1 656760311 CDQRWVHLLDPGFN-CYBMUJFWSA-N 351.328 3.531 0 40 FHAB Cc1ccc(CCCCC(=O)N2C[C@@H](C)C(=O)Nc3ccncc32)cc1 1615592301 WSZSACVNVGBUBC-MRXNPFEDSA-N 351.450 3.724 0 40 FHAB FC(F)(F)c1cccnc1N1C[C@H]2CN(c3nc4ccccc4o3)C[C@H]2C1 1888914069 VGKPFQLIXHRBMI-BETUJISGSA-N 374.366 3.814 0 40 FHAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccs3)n2C)c1 779359 VFOWWACSRWJFDA-UHFFFAOYSA-N 358.492 3.891 0 40 FHAB Cc1cccc(-n2c(SCC(N)=O)nnc2-c2ccc(Cl)cc2)c1C 804830 NEFGXVWSDTUPRN-UHFFFAOYSA-N 372.881 3.782 0 40 FHAB CCOc1ccc(CN2CCC(C(=O)N3CCC(C)CC3)CC2)cc1OC 819325 DOGKWCRNDDMFDO-UHFFFAOYSA-N 374.525 3.564 0 40 FHAB Cc1cc(S[C@@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)ncn1 941261 YHHBCRNXNTZKOD-LLVKDONJSA-N 366.657 3.596 0 40 FHAB O=C(/C=C/c1c(F)cccc1Cl)N1CCN(c2ccc(F)cc2)CC1 997993 JCKXZJNBQWVOLA-CMDGGOBGSA-N 362.807 3.980 0 40 FHAB CCCc1cc(-c2nn3c(Cc4ccc(Cl)cc4)nnc3s2)n(C)n1 1018198 KDNOETRPPOYISU-UHFFFAOYSA-N 372.885 3.783 0 40 FHAB Cc1ccc(NC(=O)[C@H]2CCC(=O)N2C(=O)OCc2ccccc2)c(C)c1 1056392 HJUNCBBLZGCIOU-GOSISDBHSA-N 366.417 3.570 0 40 FHAB CC1(C)[C@]2(C(=O)Nc3ccc(Br)cc3)CC[C@@]1(C)C(=O)O2 2116078 XCUNTGVGLLEZPR-JKSUJKDBSA-N 352.228 3.510 0 40 FHAB CCCCCCc1c(C)c2ccc(OCc3nn[nH]n3)c(C)c2oc1=O 2449384 OWQAQSZEBWWIOR-UHFFFAOYSA-N 356.426 3.625 0 40 FHAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1cccnc1Cl 3430398 WZDGNFYFOCDMDJ-UHFFFAOYSA-N 359.596 3.837 0 40 FHAB Cc1ncc(CO)c2cc(C(=O)Nc3cccc4ccccc34)c(=N)oc12 3911064 HOEHDABWXPGNRD-UHFFFAOYSA-N 359.385 3.513 0 40 FHAB CCCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCCC 4064624 ILBPJGKKPYOKTO-KRWDZBQOSA-N 362.495 3.612 0 40 FHAB COC(=O)[C@]12CC[C@](C)([C@@H](OC(=O)C(Cl)(Cl)Cl)C1)C2(C)C 4137284 JRRZNKPUTSDMIK-CKLFPEKLSA-N 357.661 3.658 0 40 FHAB O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccc2c(c1)OCO2 4589157 SLOGZGRLQFNBNT-MLPAPPSSSA-N 372.174 3.522 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2cccc(C3OCCCO3)c2)cc1OC 4681704 CRTDDEORPXIVMQ-CSKARUKUSA-N 369.417 3.791 0 40 FHAB COC(=O)[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)c1ccccc1 4747427 LABSYWPSZKXUGH-HXUWFJFHSA-N 364.397 3.965 0 40 FHAB Cc1ccc2nc(NC(=O)CCS(=O)(=O)Cc3ccccc3)sc2c1 4815719 QPIBWJIHWRJNPE-UHFFFAOYSA-N 374.487 3.548 0 40 FHAB COc1ccc(C(=O)/N=c2\sc3c(n2C)-c2ccccc2CC3)cc1 4834969 ZSHMXRLVZWDPJV-MRCUWXFGSA-N 350.443 3.602 0 40 FHAB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccccc2Cl)CC1 5392466 NLZXGBWLZXCXQW-UHFFFAOYSA-N 365.260 3.964 0 40 FHAB O=C(CSc1ccc(-c2ccccn2)nn1)Nc1ccccc1Cl 5442305 FJOFJTLKTXMHSL-UHFFFAOYSA-N 356.838 3.923 0 40 FHAB CC1(C)Cc2cccc(OCC(=O)N[C@@H]3CCCc4ccccc43)c2O1 5443002 SMILWXHQHMBZBS-GOSISDBHSA-N 351.446 3.973 0 40 FHAB CCCSc1nnc2n1-c1sc3c(c1-c1nc(C)nn1-2)CCCC3 5561795 JYQLYOQBCWBDCH-UHFFFAOYSA-N 358.496 3.579 0 40 FHAB C/C=C/c1ccc(OCC(=O)O[C@@H](C)C(=O)Nc2ccccc2)c(OC)c1 6176493 FABBIGITBIOXHL-LWUPOJRFSA-N 369.417 3.678 0 40 FHAB O=C(COc1ccccc1-n1cnnc1C1CC1)Nc1ccccc1Cl 6678063 TUCZHUGYMXIOCZ-UHFFFAOYSA-N 368.824 3.816 0 40 FHAB COc1ccc(-c2noc(CN(C)C(=O)CCCc3ccccc3)n2)cc1 6759536 FIRKCTPCELTXHL-UHFFFAOYSA-N 365.433 3.727 0 40 FHAB Cc1cc(C)cc(-n2ccnc(NCCc3c[nH]c4ccccc34)c2=O)c1 6914980 ZICORJBMEJJFOG-UHFFFAOYSA-N 358.445 3.985 0 40 FHAB CCOc1ccc(OCCC(=O)OCc2nnc(-c3ccccc3)o2)cc1 6946952 MQLSAYOOQUYZBQ-UHFFFAOYSA-N 368.389 3.648 0 40 FHAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(Cl)cc1Cl 7002142 ZUGOTZFETLHBQB-LBPRGKRZSA-N 352.217 3.905 0 40 FHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 7265797 BQXPVIOZFDIWQN-UHFFFAOYSA-N 351.233 3.633 0 40 FHAB Nc1c(C(=O)NCc2ccccc2)sc(=S)n1-c1ccc(F)cc1 7499954 LRFRZQIIWFRSHR-UHFFFAOYSA-N 359.451 3.920 0 40 FHAB COc1cccc(CN(C)CC(=O)N[C@@H](C)c2cc3ccccc3o2)c1 7679383 HZJPZHRODZPBKG-HNNXBMFYSA-N 352.434 3.751 0 40 FHAB COc1ccc(NC(=O)CNc2ccccc2N2CCCCC2)cc1OC 7973141 CZBDQUIKTAEMCW-UHFFFAOYSA-N 369.465 3.745 0 40 FHAB CCOC(=O)c1oc2ccccc2c1CSc1nnc(C(C)(C)C)n1N 7975123 ZAJZCCXQOWXQOE-UHFFFAOYSA-N 374.466 3.505 0 40 FHAB CC(C)[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccc2c(c1)OCCO2 8124303 ZOVHWOCIJRDQSE-QFIPXVFZSA-N 364.445 3.995 0 40 FHAB CCOc1ccccc1NS(=O)(=O)c1cc(Cl)c(C)cc1OC 8132613 RKAYIWMSGAQCMJ-UHFFFAOYSA-N 355.843 3.857 0 40 FHAB Cc1c(Cl)cccc1NC(=O)CSc1ncn(-c2ccccc2)n1 8278423 WSUKYYYHRGGCCY-UHFFFAOYSA-N 358.854 3.960 0 40 FHAB Cc1cccc(C)c1-n1nnnc1SCc1ccc(-n2ccnc2)cc1 8725346 TXYPDXMRUBZXAZ-UHFFFAOYSA-N 362.462 3.757 0 40 FHAB CSc1nnc(SCC(=O)N2c3ccccc3CC[C@H]2C)s1 8778305 RUPKTMIIAUNLEC-SNVBAGLBSA-N 351.522 3.720 0 40 FHAB CC(=O)NCc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1 9366762 CXLIKXBFNZQSIQ-UHFFFAOYSA-N 361.239 3.646 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H](NC(=O)c1cccs1)C(C)C 9390239 ZYFFAGNQJFADJD-HNNXBMFYSA-N 366.870 3.803 0 40 FHAB CN(C)[C@@H](CNC(=O)c1ccc(F)cc1Br)c1ccccc1 9479187 JGHMSCSVJYQAKY-INIZCTEOSA-N 365.246 3.621 0 40 FHAB Cc1ccc(N2C[C@@H](C(=O)Nc3nc4ccc(C)cc4s3)CC2=O)cc1 9582145 AITPLIVYQXCFGR-AWEZNQCLSA-N 365.458 3.905 0 40 FHAB COc1ccc(-c2csc(NC(=O)CCc3c(C)nn(C)c3C)n2)cc1 9953209 LQANDSUPEQZXKA-UHFFFAOYSA-N 370.478 3.740 0 40 FHAB C=Cn1nnc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)n1 10119648 QHSRYHHLTVKGOS-VQHVLOKHSA-N 355.785 3.647 0 40 FHAB CCOc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 10448842 XUYJAGQGYNGTMG-UHFFFAOYSA-N 360.262 3.871 0 40 FHAB CCn1c(NC(=O)Cc2csc(-c3ccccn3)n2)nc2ccccc21 10651700 HPBUBKBWILXYAJ-UHFFFAOYSA-N 363.446 3.756 0 40 FHAB Cc1ccc(C)c(C(=O)COC(=O)c2ccc(NC(=O)C3CC3)s2)c1 11031313 JMAKJBXJSCPOQS-UHFFFAOYSA-N 357.431 3.753 0 40 FHAB C[C@H](NC(=O)c1ccccc1)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 11073046 SCUWNJGMCHAKOR-INIZCTEOSA-N 373.456 3.602 0 40 FHAB Cc1cccc(CCC(=O)N2CCC(c3nc4ccccc4cc3N)CC2)n1 12087819 BGMMHNJONHSYKK-UHFFFAOYSA-N 374.488 3.859 0 40 FHAB COc1ccccc1C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 12232655 WFFQQWKYJYRSCI-UHFFFAOYSA-N 352.415 3.775 0 40 FHAB COc1ccc(-c2nn3c(-c4cccc(F)c4F)nnc3s2)cc1OC 12321466 HZVRKNQDFKPEJR-UHFFFAOYSA-N 374.372 3.815 0 40 FHAB C[C@@H]1CCCN(Cc2csc(NC(=O)c3n[nH]c4ccccc34)n2)C1 12532130 URMKXIOLXHBFRZ-GFCCVEGCSA-N 355.467 3.504 0 40 FHAB COc1ccc(-n2c(SCCOC(C)C)nnc2-c2ccncc2)cc1 12593632 PKDQRAIAYLTCAN-UHFFFAOYSA-N 370.478 3.855 0 40 FHAB CCOc1ccc(CN(C)Cc2nc(N)c3c(C)c(C)sc3n2)cc1 12596902 YWAMLZCQOMXWTH-UHFFFAOYSA-N 356.495 3.921 0 40 FHAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NC2CC2)o1 12927376 UJAWVZDGIXQDBT-IUJLQVPDSA-N 350.418 3.947 0 40 FHAB COc1ccccc1[C@@H](CNC(=O)c1ccc(C(C)=O)s1)N1CCCC1 13010402 BJMUPUDDKIOKBT-MRXNPFEDSA-N 372.490 3.526 0 40 FHAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2)cc1)c1cnccn1 13015384 LSRROYYZDNXWKL-UHFFFAOYSA-N 372.472 3.669 0 40 FHAB NC(=O)NC(=O)[C@@H](Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 14095590 KZSWLULLZUEERP-IBGZPJMESA-N 361.401 3.827 0 40 FHAB O[C@@H](COCc1ccccc1)Cn1c(-c2cscn2)nc2ccccc21 14287374 HLUPWYWDRSUERV-MRXNPFEDSA-N 365.458 3.738 0 40 FHAB Cc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(c2ccc(Cl)cc2)C3)cc1 15081233 ZQUXIGGXZYJZEZ-SFHVURJKSA-N 367.836 3.645 0 40 FHAB C[C@H](NCC(=O)NCC1CCCCC1)c1ccccc1Br 16695810 UBPFLKHKMOMVLK-ZDUSSCGKSA-N 353.304 3.796 0 40 FHAB CCCCOC(=O)/C(=C\c1cccc(OC)c1)NC(=O)c1ccccc1 17023007 XNTWVEAEOSDZCB-XDJHFCHBSA-N 353.418 3.809 0 40 FHAB CN1CCCC[C@H]1c1ncc2c(n1)CCN(Cc1ccc(Cl)c(F)c1)C2 19589006 DMNHPKJFVMXOBG-IBGZPJMESA-N 374.891 3.984 0 40 FHAB CC(C)Cc1nc2ccccc2n1CC(=O)N[C@H]1CCOc2ccccc21 19666625 NQEHKBFQOHIVLY-KRWDZBQOSA-N 363.461 3.875 0 40 FHAB CC1=C(NC(=O)c2cc(CC(C)C)on2)[C@@H](C)NN1Cc1ccccc1C 20418473 QROHINXLCWIPJW-OAHLLOKOSA-N 368.481 3.552 0 40 FHAB CN1CCN(c2ccc(NC(=O)CCc3ccc(Cl)cc3)cc2)CC1 21974308 NKKJHXAMMYVYRG-UHFFFAOYSA-N 357.885 3.663 0 40 FHAB COc1ccc([C@]2(O)CN(c3ccc(C)cc3)C3=[N+]2CCCCC3)cc1 22408124 UHESDVZWMMWICE-JOCHJYFZSA-N 351.470 3.654 0 40 FHAB Cc1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c1 22518605 RVTNNYRXBJWARQ-UHFFFAOYSA-N 372.490 3.563 0 40 FHAB COCCN(C(=O)CCc1ccc(OC)cc1)c1nc2ccccc2s1 24716375 LXUYXEJZZHFNQN-UHFFFAOYSA-N 370.474 3.917 0 40 FHAB COc1ccc(C(=O)C2CCN(C(=O)c3c(F)cccc3F)CC2)cc1 26132358 OAWFSQVKBPIBTP-UHFFFAOYSA-N 359.372 3.709 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)NC2CCC(c3ccccc3)CC2)cc1 26837216 UNNLUOHVPYFGBU-UHFFFAOYSA-N 372.490 3.650 0 40 FHAB O=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1ccc2ccccc2n1 27403078 QYSNHCRGRHYORW-UHFFFAOYSA-N 373.334 3.779 0 40 FHAB CCOc1ccc(-c2nsc(NC(=O)COc3ccc(C)cc3)n2)cc1 27992294 YFVGJNOMYCPYSP-UHFFFAOYSA-N 369.446 3.930 0 40 FHAB C[C@H]1CN(CCC(=O)Nc2ccccc2Oc2ccccc2)C[C@H](C)O1 28842731 UWAQHWLRNFRIIM-IRXDYDNUSA-N 354.450 3.917 0 40 FHAB CC(=O)c1ccc(NC(=O)CCN(C)CCOc2ccc(C)cc2)cc1 28901527 YRBTUKJWCWACMF-UHFFFAOYSA-N 354.450 3.537 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)Sc2nccn2-c2cccc(C)c2C)on1 29036176 GCKSSQPVVCZYBA-CQSZACIVSA-N 356.451 3.905 0 40 FHAB CC[C@@H](C)NC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1 32579047 DTGAXXQHROGINS-CQSZACIVSA-N 351.406 3.697 0 40 FHAB NC(=O)c1cc(NC(=O)/C=C/c2ccccc2OC(F)F)ccc1Cl 32769493 QNESGZVUTRXJAU-VMPITWQZSA-N 366.751 3.692 0 40 FHAB Cc1nn(C)c2ncc(C(=O)Nc3cccc(OC4CCCC4)c3)cc12 32769572 RUAHVTUPHWIYFT-UHFFFAOYSA-N 350.422 3.850 0 40 FHAB Cc1nc(-c2ccccn2)sc1C(=O)N(C)CCOc1ccccc1F 32788020 MJIWYGLDNAXDBO-UHFFFAOYSA-N 371.437 3.804 0 40 FHAB CC[C@H]1CCCCN1C(=O)[C@H](C)S(=O)(=O)Cc1cccc2ccccc12 32929920 PWZSHMMSHRNTNX-LPHOPBHVSA-N 373.518 3.934 0 40 FHAB COc1cccc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)c1OC 35596691 YZBHHNLVACSCDX-UHFFFAOYSA-N 363.417 3.631 0 40 FHAB Cc1ccc(C(=O)N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)cc1 40113878 IBQDAVTYBHNBLD-UHFFFAOYSA-N 368.452 3.611 0 40 FHAB Cc1ccc(-c2nnc3sc(NC(=O)C4CCCCC4)nn23)cc1F 41076568 GKFPQHITYKZDHT-UHFFFAOYSA-N 359.430 3.819 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(CN2CCCC2)cc1 44872919 ALZDKEWQDDSDHY-OAQYLSRUSA-N 370.468 3.895 0 40 FHAB CCOC(=O)c1c(C2CC2)csc1NC(=O)Cc1ccccc1OC 44928818 GBDTUHXKEZQKKO-UHFFFAOYSA-N 359.447 3.992 0 40 FHAB CCOc1ccc([C@@H](C)NC(=O)c2ccc3c(O)[nH]c(=S)nc3c2)cc1 47932754 NGEPXGPBKJJNMB-LLVKDONJSA-N 369.446 3.888 0 40 FHAB CC(C)c1noc(CCCC(=O)N2CCc3[nH]c4ccccc4c3C2)n1 48235940 HKVGEKULGWUKEJ-UHFFFAOYSA-N 352.438 3.582 0 40 FHAB CSc1ccccc1NC(=O)CN(C)CCO[C@H]1CCCC[C@@H]1C 48353621 HUBFKQFUQVQGLL-RDJZCZTQSA-N 350.528 3.874 0 40 FHAB CN(Cc1ccc(-c2ccccc2)cc1)C(=O)c1ccnc(-n2cncn2)c1 53799279 NHFNBPHSFLNRSO-UHFFFAOYSA-N 369.428 3.602 0 40 FHAB O=C(COc1cccc(NC(=O)c2ccco2)c1)Nc1ccc(Cl)cn1 58062330 HFGQQGLJUOHPAO-UHFFFAOYSA-N 371.780 3.598 0 40 FHAB O=C(Nc1ccc(NC(=O)N2CCO[C@H]3CCCC[C@H]32)cc1)c1ccco1 58162483 DAUFPOOIZDBSLQ-SJORKVTESA-N 369.421 3.707 0 40 FHAB O=C(CNC(=O)c1c[nH]cc1-c1ccc(Cl)s1)OCc1ccccc1 63913626 ITFBZORPTYLIBI-UHFFFAOYSA-N 374.849 3.870 0 40 FHAB COc1ccc(CCCNC(=O)CSCc2cccc(C)c2)cc1OC 65087071 BMETXGNSUVUYBE-UHFFFAOYSA-N 373.518 3.994 0 40 FHAB CC1CCN([C@H](C)CNC(=O)Nc2ccc(NC(=O)C(C)C)cc2)CC1 65535572 YMZYVMLDJWJSIH-MRXNPFEDSA-N 360.502 3.523 0 40 FHAB COc1ccc(NC(=O)c2cccnc2N(C)C)cc1Cc1ccccc1 65565157 VLDMRJDVEBFTTM-UHFFFAOYSA-N 361.445 3.999 0 40 FHAB CCC(CC)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 68935551 UDXUEXZPRIYFCN-UHFFFAOYSA-N 360.479 3.714 0 40 FHAB COCCn1ccc2c(NC(=O)c3cc(C)nc4onc(C)c34)cccc21 71286809 RFGUELWKDZDKJB-UHFFFAOYSA-N 364.405 3.693 0 40 FHAB Cc1ccccc1CN(C)C(=O)CN1CCO[C@H](c2ccc(Cl)cc2)C1 71955014 ZFISLJHEAOQTNT-FQEVSTJZSA-N 372.896 3.680 0 40 FHAB O=C(O)[C@@H]1COC2(CCCCC2)N1C(=O)c1ccc(-c2ccccc2)cc1 71979735 KIWYWGHCFZMGTJ-IBGZPJMESA-N 365.429 3.940 0 40 FHAB Cc1cccnc1Nc1nccc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 72377503 WAMPMFIKOBTRQS-GOSISDBHSA-N 373.460 3.943 0 40 FHAB Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccncc4Cl)C3)[nH]c2c1 72910444 FPDSMMQEGGNJOM-CYBMUJFWSA-N 354.841 3.940 0 40 FHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCC2=CC[C@H]3C[C@@H]2C3(C)C)c1 75123371 PPYPUPWAHCBEGT-LPHOPBHVSA-N 370.449 3.753 0 40 FHAB Cc1[nH]c2ccc(C(=O)N(C)[C@H]3CCN(c4ccccc4)C3=O)cc2c1C 78598861 AORUCGNUYIZCFV-FQEVSTJZSA-N 361.445 3.662 0 40 FHAB CCc1ccc(C(C)(C)CNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)cc1 80215612 QLLCRTHWYWUPLO-KRWDZBQOSA-N 354.498 3.839 0 40 FHAB O=C(Nc1ccc2c(c1)OCCO2)N1CCC(OCc2ccccc2)CC1 84539450 XFLIHBIETAQHAO-UHFFFAOYSA-N 368.433 3.671 0 40 FHAB CCCCC[C@](C)(O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)O 84672331 CTXLUMAOXBULOZ-GMTKBHKGSA-N 366.498 3.641 0 40 FHAB Cn1c(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)cc2ccc(Cl)cc21 85878732 QDNICQCLJISVMO-DOTOQJQBSA-N 359.901 3.826 0 40 FHAB biogenic COc1ccccc1NC(=O)CN1CC=C(c2c[nH]c3ccccc23)CC1 89481730 XZUKQNLKLHUXGR-UHFFFAOYSA-N 361.445 3.904 0 40 FHAB c1cc(COC[C@@]23CCCO[C@H]2CCN(Cc2ccsc2)C3)ccn1 96040176 ZUGYZQHBLMXGKS-PMACEKPBSA-N 358.507 3.731 0 40 FHAB CC(C)Oc1cccc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2cccnc2)c1 100148671 UKBREXZLORDYGV-NHCUHLMSSA-N 366.505 3.989 0 40 FHAB CN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2Cc2ccccc2)c2ccccc21 101638271 BVOOEWOKZVDBBZ-HSZRJFAPSA-N 369.424 3.584 0 40 FHAB Cc1ccccc1OC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 102593259 WGQFKOJYGJMVLY-SLUIBLPYSA-N 373.408 3.526 0 40 FHAB C[C@H](Sc1nnc(-c2ccccc2)[nH]1)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 106521031 IOKGMHQBCWMZAL-HZRXROBNSA-N 370.522 3.893 0 40 FHAB C[C@@H]1[C@@H](NC(=O)[C@H](C)N2CCO[C@@H](c3ccc(F)cc3)C2)CCC[C@H]1C 195528577 PNKNKOHTAWTGAW-BROHORATSA-N 362.489 3.528 0 40 FHAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 222863452 DJPCNLXNFXNPAH-RBUKOAKNSA-N 363.490 3.650 0 40 FHAB Cc1ccc(OC[C@@H](C)NC(=O)COc2cccc3c2CCCC3)cc1 223281504 XKFWRXZSMSSDIR-QGZVFWFLSA-N 353.462 3.836 0 40 FHAB COc1ccc(S(=O)(=O)N(C)Cc2cccc3ccccc23)cc1F 223743517 UGIQLFFNBLVIBQ-UHFFFAOYSA-N 359.422 3.808 0 40 FHAB CCCSc1nnc(NC(=O)COc2cccc3c2CCCC3)s1 224033142 NILZFBIGBPIVRB-UHFFFAOYSA-N 363.508 3.937 0 40 FHAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc(OC)cc1 224441697 RYZWITYEOAGISN-QGZVFWFLSA-N 363.841 3.701 0 40 FHAB COC(=O)c1cc2cc(NC(=S)NCCCOC(C)C)ccc2s1 225213345 ROAYFWGLPYVNST-UHFFFAOYSA-N 366.508 3.789 0 40 FHAB CCCOc1ccc(NC(=O)[C@](C)(CCC)OCC)cc1C(=O)OC 225821423 BHDPLYVZHHIJOZ-IBGZPJMESA-N 351.443 3.796 0 40 FHAB COc1ccc(-c2noc(CNC(=S)Nc3ccc(C)cc3C)n2)cc1 225823331 IZRJJFIIDUCGNA-UHFFFAOYSA-N 368.462 3.849 0 40 FHAB CCCOC(C)(C)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 225837448 BSNBGGVLRCXOCC-CYBMUJFWSA-N 351.443 3.794 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2ccc(N3CCC(C)CC3)c(N)c2)c1 226268573 GQGUDYFLDKDMPQ-UHFFFAOYSA-N 369.465 3.775 0 40 FHAB COc1ccc(-c2cc3ccccc3oc2=O)c(NC(=O)C(F)(F)F)c1 226358173 RKLFHUAWPCJCAQ-UHFFFAOYSA-N 363.291 3.969 0 40 FHAB CC1(C)[C@H](NC(=O)c2ncc[nH]2)[C@@]23CCO[C@H](c4ccccc4)[C@H]2C[C@@H]1C3 257301217 RXLVFQYFSGTSHH-WJTVCOANSA-N 365.477 3.722 0 40 FHAB CC(C)c1csc([C@@H]2CCCN(C(=O)N=c3ccc(C4CC4)n[nH]3)C2)n1 333146714 GHTALUMZTBPWCJ-CQSZACIVSA-N 371.510 3.767 0 40 FHAB O=C(Cc1cccs1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 390831950 WEKNNUQWJUHTGH-UHFFFAOYSA-N 371.428 3.977 0 40 FHAB C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)c1ccccc1 408647650 JOKXSLUTRLXPNU-DZGCQCFKSA-N 371.820 3.508 0 40 FHAB COc1cc2c(cc1OC)[C@@H](NC(=O)c1cc3c(OC)cccc3[nH]1)CC2 524732553 OYVJFSNLGKTTKR-INIZCTEOSA-N 366.417 3.611 0 40 FHAB C[C@H](NC(=O)Nc1cccnc1-c1cnn(C)c1)C1CCC(F)(F)CC1 654044744 FIGGUWIYQYHBAC-LBPRGKRZSA-N 363.412 3.818 0 40 FHAB Cc1cnc2n1-c1ccccc1OC1(CCN(C(=O)C3CC(C)C3)CC1)C2 1565546816 KQEYWJRRKMGYEN-UHFFFAOYSA-N 365.477 3.523 0 40 FHAB OCCn1cnc2cc(-n3ccnc3-c3c(F)ccc(Cl)c3F)ccc21 1775981442 DPQCDUZRVMUIIM-UHFFFAOYSA-N 374.778 3.813 0 40 FHAB Cc1nc(C2CC2)cc(N2CCN(c3nc4ccccc4s3)CC2)n1 1888897380 VLTHMUSILMYUSZ-UHFFFAOYSA-N 351.479 3.599 0 40 FHAB O=c1c2cc(-c3ccc(F)cc3)nn2ccn1Cc1cc(F)ccc1F 1888987337 XOLWKYHTBBHSHE-UHFFFAOYSA-N 355.319 3.629 0 40 FHAB COCCCNc1nc2sc3c(c2c2nc(-c4ccco4)nn12)CCC3 12321898 RGSVGFGFJRBFSP-UHFFFAOYSA-N 369.450 3.536 0 40 FHAB COc1ccc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c(O)c1 47294535 DASUZTJZWAULDH-UHFFFAOYSA-N 366.392 3.951 0 40 FHAB CCCn1c(SCc2nc(-c3ccco3)no2)nnc1-c1ccncc1 23005546 BJOQALDIDAXRKO-UHFFFAOYSA-N 368.422 3.685 0 40 FHAB CC(C)NC(=O)CSc1nc(COc2ccccc2)nc2ccccc12 1356122 JTJYDXNZPRKHKP-UHFFFAOYSA-N 367.474 3.826 0 40 FHAB CC(C)(C)c1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc1 3505807 DWNGCRQWRJCNOK-UHFFFAOYSA-N 370.468 3.851 0 40 FHAB C[C@@H](NC(=O)Cc1cn2ccsc2n1)c1cccc(C(F)(F)F)c1 23547270 LMLVDBAQPIDHJC-SNVBAGLBSA-N 353.369 3.835 0 40 FHAB CCCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 4952880 ZCSDBIUPKZBMIC-JOYOIKCWSA-N 358.389 3.745 0 40 FHAB O=C(CSc1nc(-c2ccccc2)n[nH]1)NCCc1ccc(Cl)cc1 6178421 LNFURXROANXCMM-UHFFFAOYSA-N 372.881 3.576 0 40 FHAB COc1ccc(NC(=O)CSc2n[nH]c(-c3cccc(C)c3)n2)cc1 6504410 QOEOAVYMNJTKQL-UHFFFAOYSA-N 354.435 3.520 0 40 FHAB C[C@@H](OC(=O)Cc1c(F)cccc1Cl)C(=O)N[C@@H]1CCCC[C@H]1C 7107913 DIYCRPYZHMSAGV-XHBSWPGZSA-N 355.837 3.648 0 40 FHAB CC(=O)Nc1nc(CSc2nncn2-c2cccc(Cl)c2)cs1 24921844 ZYLSDDCBRCTUCE-UHFFFAOYSA-N 365.871 3.628 0 40 FHAB CCN1CCN(c2ccccc2NC(=O)N(CCC(C)C)C2CC2)CC1 43574368 OJODFRYMLGUMBF-UHFFFAOYSA-N 358.530 3.871 0 40 FHAB NC(=O)COc1cccc(C(=O)N2CCC[C@H]2c2cccc3ccccc23)c1 56363462 XLOCXHCFAMHVNM-NRFANRHFSA-N 374.440 3.681 0 40 FHAB O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)N1CCc2ccc(O)cc2C1 57188153 NIYUJECONCICBT-WOJBJXKFSA-N 370.424 3.519 0 40 FHAB CCCn1c(NC(=O)CCNC(=O)c2cccc(C)c2)nc2ccccc21 9912241 MQXCYQZFVWPCKA-UHFFFAOYSA-N 364.449 3.513 0 40 FHAB CC(C)C[C@@H](NC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1cccs1 58210872 BPIZIKDDPNOLOA-MRXNPFEDSA-N 370.474 3.919 0 40 FHAB O=C1c2ccccc2N[C@@H](c2cnc(N3CCCC3)nc2)N1c1ccccc1 54680040 MSBLPMGTIQXBTD-HXUWFJFHSA-N 371.444 3.848 0 40 FHAB CCOC(=O)[C@H]1CC(=O)N(c2ccc3oc(-c4ccc(C)cc4)nc3c2)C1 57326924 BJNTXSDTADIOGB-HNNXBMFYSA-N 364.401 3.719 0 40 FHAB CC[C@H](C)NC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 2249060 LOVVWWCNAOZRKJ-AWEZNQCLSA-N 373.460 3.743 0 40 FHAB COc1ccc(S[C@H](C)C(=O)NCCCc2cccc(OC)c2)cc1 20491007 IPJPZTYRLHBTMV-OAHLLOKOSA-N 359.491 3.933 0 40 FHAB COc1ccc([C@@H](O)[P@](=O)(OC(C)C)c2ccc(N(C)C)cc2)cc1 2379822 NIDVRFJAHFQOSJ-UQBPGWFLSA-N 363.394 3.781 0 40 FHAB COc1ccc(OC)c(NC(=S)NCCSCc2ccccc2)c1 107405010 CZWSINHVISPRIM-UHFFFAOYSA-N 362.520 3.924 0 40 FHAB Cc1cc(C)cc(OCC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 12885690 OPJDVQSJJYVQCF-SFHVURJKSA-N 366.461 3.560 0 40 FHAB Cc1cnc(NC(=O)C2=NN(c3ccc(C)c(Cl)c3)C(=O)CC2)s1 12817251 JJKPLPHTQYFTTL-UHFFFAOYSA-N 362.842 3.535 0 40 FHAB Cc1nn(CCC(=O)N[C@H](C)c2ccccc2)c(C)c1Br 27969236 MEFMHXHJAKBWOD-LLVKDONJSA-N 350.260 3.530 0 40 FHAB CCOC(=O)CSc1nc(C)cc(C)c1C(=O)Nc1cccc(C)c1 12276381 XMGNNJXZZGDJJX-UHFFFAOYSA-N 358.463 3.914 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C 3403138 BRRQDJHGCQZJQU-SFHVURJKSA-N 358.413 3.536 0 40 FHAB Cc1ccc(C(=O)CSc2nnnn2-c2cccc(C)c2C)cc1C 27429354 KSXKWEIHPIOICN-UHFFFAOYSA-N 352.463 3.871 0 40 FHAB CC(C)Oc1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)cc1 3563258 DQHCEVLJXCWCQS-UHFFFAOYSA-N 353.418 3.610 0 40 FHAB COc1cccc([C@H](CNC(=O)Nc2cccc(C)c2)N2CCCC2)c1 12926796 KUPRKEIFCRJRIC-FQEVSTJZSA-N 353.466 3.962 0 40 FHAB CC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3n2C(C)=O)cc1 9261966 JOCZKBJPNFXAKA-UHFFFAOYSA-N 367.430 3.630 0 40 FHAB CC(C)c1csc(NC(=O)CNC(=O)Cc2cccc3ccccc23)n1 9253003 TXQCEVIIOZAUMZ-UHFFFAOYSA-N 367.474 3.717 0 40 FHAB CC(C)(C)c1ccc(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)cc1 5104157 WPNDNKXVWAQTJO-UHFFFAOYSA-N 364.445 3.778 0 40 FHAB CCOc1cc(=O)n2c(c1C(=O)OCc1ccc(C)cc1)CCCCC2 65254923 XTNCUWILSJLHIR-UHFFFAOYSA-N 355.434 3.639 0 40 FHAB O=C(Nc1cccc(N2CCOC2=O)c1)NC1(c2ccccc2)CCC1 65475714 ZHBFWFHJVKKFPB-UHFFFAOYSA-N 351.406 3.844 0 40 FHAB CCC[C@@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 4601885 NEHKMXXPXBHAFT-OAHLLOKOSA-N 368.477 3.965 0 40 FHAB CCOc1cc(CNCCO)cc(Cl)c1OCc1ccccc1F 4670739 KQRRVNCMYBDWRR-UHFFFAOYSA-N 353.821 3.539 0 40 FHAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(-c2nccs2)cc1 9337232 IBEMFPMONJIIJJ-SJCJKPOMSA-N 352.415 3.977 0 40 FHAB COc1ccccc1CN1C(=S)NC2(CCCCC2)[C@H]2CCCC[C@]21O 5515095 LUHWLWQMBLLLGE-NQIIRXRSSA-N 374.550 3.967 0 40 FHAB COC(=O)[C@@H]1CS[C@H](c2ccc(Cl)cc2)N1C(=O)c1ccccc1 5660350 GNDPXWULPZLZEP-DOTOQJQBSA-N 361.850 3.769 0 40 FHAB COc1cccc(/C=C/C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1 6789655 MSGXOTZPULLFDN-HWWNHIDJSA-N 367.445 3.993 0 40 FHAB Cc1cc(NC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)no1 67014213 JZAFSWVEKKPLQF-CYBMUJFWSA-N 356.209 3.895 0 40 FHAB O[C@]1(C(F)(F)F)[C@@H]2CCCCC2=NN1c1nc(-c2ccccn2)cs1 4916022 ZVOIOUBKMZZODN-BMIGLBTASA-N 368.384 3.822 0 40 FHAB CCc1ccc(CNC(=O)c2n[nH]nc2Nc2cccc(Cl)c2)cc1 67284031 ZHAFWAOYSFPLNB-UHFFFAOYSA-N 355.829 3.694 0 40 FHAB c1csc(-c2cc3c(N4CCN(C5CCCCC5)CC4)nccn3n2)c1 67285222 XDONYRPAVQMFTO-UHFFFAOYSA-N 367.522 3.913 0 40 FHAB CC(C)c1ccc(-c2nnn(CC(=O)N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 7414403 GROQTGVEYFOTMF-PKOBYXMFSA-N 367.497 3.645 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc3ccccc3[nH]2)c1C 7815537 IEQAFTWBTMHUAP-CYBMUJFWSA-N 352.390 3.744 0 40 FHAB Cc1ccc(CN(C)CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 7902332 VEGWLJVOPYLYKU-UHFFFAOYSA-N 362.477 3.868 0 40 FHAB Cc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1C 8017461 ATOBYJKKWHMJED-AWEZNQCLSA-N 366.417 3.624 0 40 FHAB COc1ccc2nc(NC(=O)Cc3ccc(OC)c(OC)c3)sc2c1 8165630 MOEMIZXXDRAQAE-UHFFFAOYSA-N 358.419 3.503 0 40 FHAB O=C(c1ccc(-n2cncn2)cc1)N(Cc1ccco1)Cc1cccs1 8233040 WUGNQKHHXHMJHX-UHFFFAOYSA-N 364.430 3.764 0 40 FHAB O=C(Cc1ccc2c(c1)OCCO2)N[C@H](c1ccc(Cl)cc1)C1CC1 8267573 FMEWTVFZJZEATL-FQEVSTJZSA-N 357.837 3.921 0 40 FHAB Cc1n[nH]c(=O)c2c(NC(=O)CSc3ccc(Cl)cc3)oc(C)c12 8230337 VMRALWLSEUULRR-UHFFFAOYSA-N 363.826 3.517 0 40 FHAB Cc1ccc(C(=O)Oc2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)cc1 17987546 DHUONFGEZUEDGK-OALUTQOASA-N 363.413 3.894 0 40 FHAB CN(C)c1cc(C(=O)Nc2ccc3oc(=O)ccc3c2)c2ccccc2n1 95468824 JDZAEENMUUPWIW-UHFFFAOYSA-N 359.385 3.660 0 40 FHAB Cc1ccc(NC(=O)CSc2nc3ccccc3n3cnnc23)c(C)c1 64948864 OITWGHVBIZJAGN-UHFFFAOYSA-N 363.446 3.625 0 40 FHAB Cc1ccccc1OCC(=O)N1N=C(CCC(C)C)C[C@@]1(O)C(F)(F)F 408957254 SZZQSDPHFOVRPP-QGZVFWFLSA-N 372.387 3.649 0 40 FHAB Cc1nc(CCNC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)c(C)o1 514844251 PJONHVFNXNYBMG-GOSISDBHSA-N 367.453 3.647 0 40 FHAB Cc1cccc(C)c1NC(=O)N1CCC(NC(=O)c2ccccc2F)CC1 35315986 AVLYLIKRDQVLRB-UHFFFAOYSA-N 369.440 3.869 0 40 FHAB COc1ccc(SCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 30864141 IXFFUOIVOQLSLC-UHFFFAOYSA-N 372.490 3.954 0 40 FHAB COc1ccc(-n2ncc(-c3nn4c(CC(C)C)nnc4s3)c2C)cc1 72404652 DKFJWIXNOQFWDN-UHFFFAOYSA-N 368.466 3.554 0 40 FHAB O=C(O)Cc1c(-c2ccc3c(c2)CCO3)oc2c1c(=O)oc1ccccc12 1547138525 MRTCRACTMYSKQF-UHFFFAOYSA-N 362.337 3.768 0 40 FHAB biogenic CCOc1ccccc1N[C@@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1=O 36635524 ADSKBKUJAISRAT-QGZVFWFLSA-N 352.434 3.755 0 40 FHAB O=C(NCCOc1ccc(F)cc1)c1ccc2c(c1)C(=O)c1ccccc1-2 30130295 GIGNEMDDTIOFLG-UHFFFAOYSA-N 361.372 3.846 0 40 FHAB CCOc1ccc(NC(=O)NCC2CCN(c3ccncc3)CC2)cc1 70928919 XEHGGHWZONNJHN-UHFFFAOYSA-N 354.454 3.518 0 40 FHAB O=S(=O)(NCc1ccccc1F)c1cccc(COc2ccccc2)c1 72264758 LFXSLECTZZXBAB-UHFFFAOYSA-N 371.433 3.883 0 40 FHAB CC(C)c1nnc(C2CCN(C(=O)CSCc3ccccc3)CC2)o1 38518165 AMSQKINDSGCUDE-UHFFFAOYSA-N 359.495 3.832 0 40 FHAB CCOc1ccc(C(=O)c2ccccc2I)cc1 36941945 QFBWEFOZVBVYSH-UHFFFAOYSA-N 352.171 3.921 0 40 FHAB CO[C@H](C)c1cccc(NC(=O)N2CCC3(C2)Oc2ccccc2O3)c1 563650727 MNPCZIKFANEEGH-CQSZACIVSA-N 354.406 3.799 0 40 FHAB CC[C@@H](NC(=O)COc1cc(C)ccc1C)c1ccc(OC)c(OC)c1 218952449 PNZCVWALUQJZFF-QGZVFWFLSA-N 357.450 3.967 0 40 FHAB O=C(c1ccc(Cn2cc(Cl)cn2)o1)N1CCC(c2ccncc2)CC1 72346594 LEZYVHOGCYICHU-UHFFFAOYSA-N 370.840 3.593 0 40 FHAB Cc1cc(-c2cc(=O)n(CC(=O)C(C)(C)C)nc2-c2cccs2)on1 72337061 OUFKCRIVJASFER-UHFFFAOYSA-N 357.435 3.550 0 40 FHAB COc1ccc(SCCCNC(=S)Nc2ccc(OC)nc2)cc1 225804051 NHESWKSJWCEGOQ-UHFFFAOYSA-N 363.508 3.568 0 40 FHAB Cc1cccc(-c2noc(CN(C)C(=O)COc3cccc(Cl)c3)n2)c1 222772601 VISNJIVPPDDXFH-UHFFFAOYSA-N 371.824 3.736 0 40 FHAB O[C@@H](CNC[C@@H]1CCOC2(CCC2)C1)Cc1ccc(C(F)(F)F)cc1 570082601 OPLVPBVXQZDQAK-NVXWUHKLSA-N 357.416 3.548 0 40 FHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1cc(OC)ccc1OC 224315089 PNUMMAYDROMQCK-KUHUBIRLSA-N 373.449 3.747 0 40 FHAB Cc1cccc(N(C)S(=O)(=O)c2ccc(Br)cc2)c1C 48655938 UCGDUHNEWUDUCR-UHFFFAOYSA-N 354.269 3.891 0 40 FHAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(C)cc2)c(OC)c1OC 44903255 OQJVKTJZZKFJQQ-FQNOHDAGSA-N 355.434 3.911 0 40 FHAB COc1cccc(OCC(=O)NCCSc2ccc(Cl)cc2)c1 222787077 SHJNDSFAHGKZER-UHFFFAOYSA-N 351.855 3.636 0 40 FHAB Cc1cn(-c2ccccc2)nc1OC(C)(C)C(=O)Nc1ccnn1C(C)C 227151110 WJTJOBPADROLFQ-UHFFFAOYSA-N 367.453 3.754 0 40 FHAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1 223409195 CSZQNYZUNOBUDK-OALUTQOASA-N 364.474 3.591 0 40 FHAB CN(CCNC(=O)c1ccc(CN2CCCCCC2)cc1)c1ccccc1 44916919 DNZZTEOAZHXBTF-UHFFFAOYSA-N 365.521 3.929 0 40 FHAB CCOc1ccccc1NC(=S)NCc1nc(-c2ccccc2)no1 225813128 WZWIUEPPWBMRIY-UHFFFAOYSA-N 354.435 3.622 0 40 FHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccccc1-n1ccnc1 44844301 BWVFXZULGWDHKJ-HXUWFJFHSA-N 363.461 3.963 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1 222471842 IWUDQDZVZMXSAS-UHFFFAOYSA-N 366.870 3.605 0 40 FHAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1 95946192 IRZFKGVOPCLPJZ-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB c1ccc(COC[C@@]23CCCO[C@@H]2CCN(Cc2ccsc2)C3)nc1 96040226 YPRXXSKNFOKYLV-UXHICEINSA-N 358.507 3.731 0 40 FHAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC(C)(C)C)CC1 257300405 RUDPRGHXIJXQQJ-MBOZVWFJSA-N 359.514 3.618 0 40 FHAB CN(c1nn(-c2cccc(C(F)(F)F)c2)nc1C(=O)O)C1CCCCC1 256045834 BEZIFNOXTQAGTJ-UHFFFAOYSA-N 368.359 3.753 0 40 FHAB COC(=O)c1ccc([C@H]2C[C@@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1 257226481 FKTRNSHHPPMQSW-VWHKRPIESA-N 359.466 3.634 0 40 FHAB Cc1ncc(-c2ncccc2C[C@H]2CCCN(C(=O)C(C)(C)C)C2)n1C 257327941 XDLNVHDWHAGJMZ-MRXNPFEDSA-N 354.498 3.618 0 40 FHAB Cc1cc(-c2ccnn2C(C)C)nc([C@H]2CCCN(C(=O)C(C)(C)C)C2)n1 257232808 GMMUZCHPGSMVAK-INIZCTEOSA-N 369.513 3.982 0 40 FHAB COP(=O)(CC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)OC 139836703 ZALILTZJEZWNEH-UHFFFAOYSA-N 357.343 3.631 0 40 FHAB C[C@@H](c1nc(CC(=O)NC2CCCC2)no1)c1ccccc1C(F)(F)F 608346361 PFYYEENOGIHMEK-LLVKDONJSA-N 367.371 3.842 0 40 FHAB C[C@@]1(CCF)NC(=O)N(CC/C=C/c2ccc(Br)cc2)C1=O 629479937 YICXFLFORFODSO-ICTCPBKTSA-N 369.234 3.523 0 40 FHAB FC(F)(F)c1ncccc1Cn1cc(CN[C@H]2CCc3ccccc32)nn1 641053110 ADNBEKOSICAXEQ-KRWDZBQOSA-N 373.382 3.517 0 40 FHAB Cc1cc(C)n(-c2ccc(CC(=O)Nc3noc4c3CCCC4)cc2)n1 1134903408 JLOZOJOKMPVYPJ-UHFFFAOYSA-N 350.422 3.537 0 40 FHAB Cn1c([C@H]2CCCN2C(=O)c2coc(C3CCC3)n2)nc2ccccc21 683442435 XNUHDINFCMYBTA-QGZVFWFLSA-N 350.422 3.806 0 40 FHAB O=C1CCC(c2nc(C3CCCCC3)no2)=NN1Cc1ccc(F)cc1 109530339 XQRRQJMKBZTSPQ-UHFFFAOYSA-N 356.401 3.783 0 40 FHAB Cc1cc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)no1 35392718 UDAKALMXPANRLH-LJQANCHMSA-N 353.447 3.631 0 40 FHAB Cc1c(NC(=O)[C@@H](C)c2ccc(C(=O)c3cccs3)cc2)cnn1C 1177688573 UOLHBAFKQWSKFX-LBPRGKRZSA-N 353.447 3.763 0 40 FHAB C[C@H](NC(=O)[C@@H](C)NC(=O)C1CCCC1)c1ccc(Cl)c(Cl)c1 40144875 OWVKFPPWOWLQLT-WDEREUQCSA-N 357.281 3.866 0 40 FHAB CCOC(=O)c1c(NC(=O)COc2ccc(C)cc2)sc2c1CCC2 846889 DMLHUALSUKSBCK-UHFFFAOYSA-N 359.447 3.739 0 40 FHAB CC(C)[C@H]1CN(Cc2csc(-c3cccc(C(=O)O)c3)n2)CCCO1 577510136 WKKDEPFQKGBCKR-QGZVFWFLSA-N 360.479 3.755 0 40 FHAB CC1CCN(c2ccc3c4c(cc(=O)n3C)-c3ccccc3C(=O)c24)CC1 5234100 MBYSXSCKDAZUJD-UHFFFAOYSA-N 358.441 3.986 0 40 FHAB CC(=O)Nc1cccc(OCC(=O)Nc2ccccc2C(F)(F)F)c1 5461027 FUKMXZZNAJQICJ-UHFFFAOYSA-N 352.312 3.681 0 40 FHAB O=C(c1ncoc1-c1cccs1)N1CCN(c2ccccc2F)CC1 12115111 CHMVSSPZBYEDQN-UHFFFAOYSA-N 357.410 3.505 0 40 FHAB O=c1oc2c3c(ccc2cc1-c1ccccc1)OCN(C[C@@H]1CCCO1)C3 12442428 VOXIDFUGDFFNQQ-KRWDZBQOSA-N 363.413 3.791 0 40 FHAB biogenic Cc1ccc(NC(=O)C2CCN(C(=O)NCc3ccccc3)CC2)cc1C 12472177 PJRBSPDKKKITPB-UHFFFAOYSA-N 365.477 3.864 0 40 FHAB Cc1ccc(NC(=O)CSCC(=O)Nc2cccc3ncccc23)cc1 14115866 IDKSOTCSGGNVEL-UHFFFAOYSA-N 365.458 3.854 0 40 FHAB Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3nccs3)n2)cc1 14152942 ONHHPBLVZAXXFE-UHFFFAOYSA-N 356.476 3.948 0 40 FHAB Cc1ccc(C2(C(=O)N[C@H](C)Cn3nnc4cc(C)c(C)cc43)CC2)cc1 19208320 DEZNNTPBTLCMSS-QGZVFWFLSA-N 362.477 3.593 0 40 FHAB Cc1cc(C)nc(N2CC[C@H](c3cc(COc4ccc(F)cc4)[nH]n3)C2)n1 19704520 IHMVIHAKCCXITC-HNNXBMFYSA-N 367.428 3.529 0 40 FHAB COCc1c(C(=O)Nc2cccc(CN3CCC(C)CC3)c2)noc1C 19718609 FIZPXWSQOHIBSF-UHFFFAOYSA-N 357.454 3.614 0 40 FHAB CC(C)(CNC(=O)Cc1nc2cc(Cl)ccc2[nH]1)c1cccc(F)c1 19718984 UHWYSSARRLIUEM-UHFFFAOYSA-N 359.832 3.992 0 40 FHAB CCOc1ccccc1N(C)S(=O)(=O)c1ccc(OC)c(Cl)c1 164955332 BVRWMTCLLVDJHK-UHFFFAOYSA-N 355.843 3.572 0 40 FHAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nnc([C@@H]3CCCO3)s2)c1 959150 CQGSUBWDZBHQPN-AWEZNQCLSA-N 361.467 3.839 0 40 FHAB COC(=O)[C@](O)(c1c(-c2ccccc2)n(C)c2ccccc12)C(F)(F)F 2052707 HNDDASPYCWSJAZ-GOSISDBHSA-N 363.335 3.768 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)COc1ccc(F)c(Cl)c1 7483149 HDBGEFGGIHQZDA-UHFFFAOYSA-N 351.761 3.673 0 40 FHAB Cc1cnccc1OCC1CCN(c2ccc(Br)cn2)CC1 1888869735 AECRBSYIPBJEAK-UHFFFAOYSA-N 362.271 3.843 0 40 FHAB Cc1cc(C)cc(N2C(=O)N(CC3CC3)c3ccccc3S2(=O)=O)c1 1889090939 OZINSWJZHQGCMO-UHFFFAOYSA-N 356.447 3.849 0 40 FHAB CC(=O)c1ccc(NC(=O)Cn2c(-c3cccc(C)c3)n[nH]c2=S)cc1 24927896 HZGKKWVBSGXFOD-UHFFFAOYSA-N 366.446 3.757 0 40 FHAB COc1ccc(C(=O)N2CCc3sccc3C2)cc1Br 12216106 YLEWMOMQKCXORN-UHFFFAOYSA-N 352.253 3.718 0 40 FHAB O=C(CCc1ccc(F)cc1)N1CCC[C@](O)(COc2ccccc2)CC1 2037909261 JNNXXPASSNIJDC-JOCHJYFZSA-N 371.452 3.581 0 40 FHAB COc1cc(C2=NN(C=O)[C@H](c3ccc(Cl)cc3)C2)cc(OC)c1OC 78546252 DRKGKWZVICTZNA-INIZCTEOSA-N 374.824 3.673 0 40 FHAB CCCCNc1nc(SCC(=O)NCc2ccco2)nc2ccccc12 2941559 LXKGXKWCEYBKTD-UHFFFAOYSA-N 370.478 3.843 0 40 FHAB Cc1cccc(NC(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCOCC2)c1 23182645 ZGNNSNHCOUGADA-YJBOKZPZSA-N 359.495 3.640 0 40 FHAB COc1ccccc1OCC(=O)NCCc1ccc(-c2ccco2)s1 2086896929 ZLXCMXQUTYKEMY-UHFFFAOYSA-N 357.431 3.754 0 40 FHAB COc1cc(/C=C/C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)ccc1OC(C)C 6256512 BMSQLJBLCBYBST-COBKFAGLSA-N 373.493 3.649 0 40 FHAB biogenic Cc1ccc(-c2noc(CCC(=O)N3CCC[C@H]3c3ccncc3)n2)cc1 40050704 RNOLEJFJDRLAHG-SFHVURJKSA-N 362.433 3.736 0 40 FHAB O=C(Cn1ccc2cc(OCc3ccccc3)ccc21)NCc1cccnc1 31819060 HNRWNLYZRSRRAG-UHFFFAOYSA-N 371.440 3.932 0 40 FHAB Cc1nc2ccc(C(=O)Nc3cccc(N4CCCC4=O)c3)cc2nc1C 32744903 RPWGAGCWYUEFGA-UHFFFAOYSA-N 360.417 3.626 0 40 FHAB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 21641007 IDLPAPJSYMPHJO-CYBMUJFWSA-N 354.406 3.837 0 40 FHAB CC[C@H](C)[C@H](NC(N)=O)C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 32978398 DDJWTLULXXXMCV-DOXZYTNZSA-N 353.466 3.614 0 40 FHAB COc1cc([C@@H]2C3=C(O)CCCC3=Nc3onc(C)c32)cc(OC)c1O 102731620 YUUXJBHFIOQOAS-INIZCTEOSA-N 356.378 3.920 0 40 FHAB Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](CC(C)C)[C@H]3C2=O)cc1 102733703 ZUPSITHYXMCPQV-XUVXKRRUSA-N 364.445 3.720 0 40 FHAB Cc1noc(C)c1S(=O)(=O)Oc1ccc(OCc2ccccc2)cc1 33048010 BWXONQABSBLATG-UHFFFAOYSA-N 359.403 3.638 0 40 FHAB C[C@H]1CN(c2ccc(C(=O)N3CC[C@H](C)c4ccccc43)cn2)C[C@@H](C)O1 41968650 QGTHONWOSLLCTO-YESZJQIVSA-N 365.477 3.849 0 40 FHAB O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 9049118 PCLOXDDOWURLNK-OAHLLOKOSA-N 365.408 3.798 0 40 FHAB CC(C)NC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 883903 ZXYZKNCXRHBROJ-UHFFFAOYSA-N 355.385 3.779 0 40 FHAB CCc1ccc([C@@H](C)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 78710431 VYWGZSQKNOBEOT-CVEARBPZSA-N 360.523 3.911 0 40 FHAB C[C@H](NC(=O)Cc1cn2ccsc2n1)c1cccc(C(F)(F)F)c1 23547273 LMLVDBAQPIDHJC-JTQLQIEISA-N 353.369 3.835 0 40 FHAB CCN1CCN(c2ccc(NC(=O)c3ccc(OC)cc3F)c(C)c2)CC1 24094577 WKJXLOXAWJEUQE-UHFFFAOYSA-N 371.456 3.537 0 40 FHAB CC(C)c1ccc(C(=O)CN2C(=O)N[C@]3(CCSC3)C2=O)c(C(C)C)c1 24161646 JAPJPKUFTHJXPM-FQEVSTJZSA-N 374.506 3.544 0 40 FHAB CC(C)(C)NC(=O)CSc1nnc2c3ccccc3nc(C(C)(C)C)n12 4898248 VFUWZBNNJIKNKX-UHFFFAOYSA-N 371.510 3.582 0 40 FHAB Cn1cc(/C=C/C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)cn1 12552643 DYJMCWJHHLCRRE-JXMROGBWSA-N 351.381 3.790 0 40 FHAB C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)C(=O)c1ccccc1 7881591 RVYPYFASNPKTQC-DZGCQCFKSA-N 371.820 3.508 0 40 FHAB CC1(C)Cc2c(c(N3CCCC3)nc3sc4c(S)ncnc4c23)CO1 1288522 PBRZBRIXZFEFPR-UHFFFAOYSA-N 372.519 3.980 0 40 FHAB O=C(Nc1c(F)cc(F)cc1F)c1cccn(Cc2ccccc2)c1=O 1385657 XRCTWEFGGNPOMD-UHFFFAOYSA-N 358.319 3.566 0 40 FHAB Cc1cccc(NC(=O)Cc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)c1 55494349 GMXFOIPGFGFPDY-LBPRGKRZSA-N 367.474 3.599 0 40 FHAB CCn1nnc2cc(C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)ccc21 10882814 BRWRBAHRPFWPLQ-UHFFFAOYSA-N 373.460 3.952 0 40 FHAB O=C(CSCc1ccc(F)cc1)Nc1ccc(N2CCCC2=O)cc1 10950056 SPCYNIZJOGQFRC-UHFFFAOYSA-N 358.438 3.824 0 40 FHAB C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc(F)cc1F 12536564 UOFGYMWALRJABT-LBPRGKRZSA-N 359.376 3.531 0 40 FHAB Cc1ccc2nc(COC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)cn2c1 8481711 QJYCBRZDTXVMJT-IBGZPJMESA-N 366.417 3.558 0 40 FHAB CCOC(=O)CCc1c(C)c2ccc3c(c2oc1=O)CN([C@@H](C)CC)CO3 57143283 WJXOPZLJHQYHCP-ZDUSSCGKSA-N 373.449 3.548 0 40 FHAB Cc1nc(N2CCN(c3ccc(Cl)cc3)CC2)nc2c1C(=O)C[C@H](C)C2 20672648 DSGQIQPNDMRBMN-CYBMUJFWSA-N 370.884 3.530 0 40 FHAB Cc1cc(-c2noc(CCC(=O)N3CCc4sccc4C3)n2)ccc1F 57447263 QFMHGCXSHVLHPP-UHFFFAOYSA-N 371.437 3.763 0 40 FHAB Cc1ccc(-c2noc(-c3cccn3CC(=O)NC3CCCCC3)n2)cc1 57486868 FDVTYMAWSCJUPM-UHFFFAOYSA-N 364.449 3.962 0 40 FHAB CCOc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)ccc1OC 12601760 BNOCPGUVARULGJ-KRWDZBQOSA-N 365.433 3.948 0 40 FHAB O=C(Nc1cccc(-c2cnco2)c1)c1ccc(OCC(F)(F)F)nc1 48204597 LAFKWBUIQLHKCX-UHFFFAOYSA-N 363.295 3.930 0 40 FHAB CCC(=O)Nc1ccc(C)c(NC(=O)NC[C@@H](C)Cn2nc(C)cc2C)c1 48256746 JLKCAQJQQVEXPW-CYBMUJFWSA-N 371.485 3.615 0 40 FHAB CCN(CC)c1ccccc1COC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 48290691 ONQUZFHZLJRKIX-QGZVFWFLSA-N 370.424 3.841 0 40 FHAB OC1(Cn2ccc3ccncc32)C[C@H]2CC[C@H](C1)N2Cc1ccccc1F 100145997 BDFRTDLDWXJDAB-RTBURBONSA-N 365.452 3.734 0 40 FHAB Cc1ccc(C)c(OCC(=O)NCc2ccccc2CN2CCCC2)c1 24189775 YBBFLZMUJAEHFK-UHFFFAOYSA-N 352.478 3.594 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1C 10628834 DQHXOHZEBTYBSA-GOSISDBHSA-N 355.463 3.706 0 40 FHAB CC(=O)Nc1ccc(NC(=O)CCc2nc(-c3ccccc3C)no2)cc1 2330174 UMLKDHSKCQCRAK-UHFFFAOYSA-N 364.405 3.575 0 40 FHAB COc1ccc(C(=O)CNC(=O)c2cccc3c2ccn3C(C)C)cc1 95472914 UYPDPYBTBIPHHA-UHFFFAOYSA-N 350.418 3.844 0 40 FHAB Nc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1N1CCOCC1 20154067 UDLXBMCKSMGSHT-UHFFFAOYSA-N 366.248 3.665 0 40 FHAB Cc1ccc(F)cc1NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C 11425750 MDNDUUIFWRFIIK-UHFFFAOYSA-N 351.381 3.758 0 40 FHAB CCCOc1ccc(S(=O)(=O)n2nnc3ccccc32)cc1C(C)C 11565849 VAYMBHBAPSPNMN-UHFFFAOYSA-N 359.451 3.581 0 40 FHAB COc1ccc(NC(=O)c2cc(Br)cc(C)c2OC)cc1N 57340469 FLSIWXPBHMSKOO-UHFFFAOYSA-N 365.227 3.609 0 40 FHAB CCOc1ncccc1C(=O)Nc1nc(SCc2ccccc2)ns1 12804850 ZAJYHNDSTCCPTB-UHFFFAOYSA-N 372.475 3.876 0 40 FHAB CCN1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 52929838 FXUJJLMGHITUBS-UHFFFAOYSA-N 361.445 3.786 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)OCc2nc3ccccc3s2)c1C 2633868 NUHSFCLJFNJHFO-UHFFFAOYSA-N 358.419 3.775 0 40 FHAB C[C@H](NCc1nc(-c2cc(Br)cs2)no1)c1cccnc1 95462534 CMHQGDZHUMBYBM-VIFPVBQESA-N 365.256 3.806 0 40 FHAB COc1ccc(OC[C@H]2[C@H]3CC[C@@H](C3)N2C(=O)c2cnn(C(C)C)c2)cc1 100113484 KKSLSPNZYHPJLR-KNBMTAEXSA-N 369.465 3.545 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(F)c2)c(Br)c1 12898521 YMNGQIMVCPXYBF-NSHDSACASA-N 372.259 3.936 0 40 FHAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)cc1 21473876 BTRPLVMHCDTYCG-KRWDZBQOSA-N 351.855 3.874 0 40 FHAB CNC(=O)c1cccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)c1 13040126 YOWJTOFQZVCOIF-UHFFFAOYSA-N 360.841 3.806 0 40 FHAB NC(=O)C(=O)c1cn(CCOc2cccc3ccccc23)c2ccccc12 9192597 NPDBMSUQYFNOPD-UHFFFAOYSA-N 358.397 3.542 0 40 FHAB C[C@H](Sc1ccc2ccccc2n1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 9114823 FSIDYCDHNXUMLD-NSHDSACASA-N 364.430 3.524 0 40 FHAB Cc1ccccc1-n1c(SC[C@H]2CCCO2)nnc1-c1ccncc1 9117927 KRXHBUFYOJXAEJ-MRXNPFEDSA-N 352.463 3.909 0 40 FHAB Cc1ccc(CC(=O)O[C@H](Cn2cncn2)c2ccc(Cl)cc2)s1 64461455 GRDRLBRAIVHWAA-MRXNPFEDSA-N 361.854 3.829 0 40 FHAB Cc1cccc2nc(C(=O)O[C@H](C)C(=O)C34CC5CC(CC(C5)C3)C4)cn12 49783090 KSDLDLBFHPZGCL-XSXQVXRUSA-N 366.461 3.974 0 40 FHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCN(Cc2ccccc2)CC1 20458872 KEPMPIFSTUZFOG-NRFANRHFSA-N 366.505 3.805 0 40 FHAB COc1ncccc1CNC(=O)Nc1ccc2nc(SC)sc2c1 65492734 QZXKIOOWJMGDPV-UHFFFAOYSA-N 360.464 3.744 0 40 FHAB COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2cccc(Cl)c2)c1 14021703 DHQKFXMLDPOGKZ-LLVKDONJSA-N 363.797 3.541 0 40 FHAB CCOc1ccc(NC(=O)C2(c3ccccc3)CCN(C(C)=O)CC2)cc1 14023565 UJLWMMQLJBFWCR-UHFFFAOYSA-N 366.461 3.604 0 40 FHAB Cc1cc(S[C@@H](C)c2nc(N)nc(N(C)C)n2)nc2c(C)cccc12 14241362 NNYRVFAOXHEVLE-LBPRGKRZSA-N 354.483 3.538 0 40 FHAB CCN(Cc1nc(-c2ccccc2)no1)C(=O)CSc1ccccc1 5483129 IHMGAMWBSMDWBQ-UHFFFAOYSA-N 353.447 3.877 0 40 FHAB C[C@@H]1CCC[C@@H]2C1=NN(C(=O)CCCc1ccccc1)[C@]2(O)C(F)(F)F 409177819 HTIHKHXFXMPTAI-DDUZABMNSA-N 368.399 3.895 0 40 FHAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1 6570351 LVEWZYZBDZKRLT-INIZCTEOSA-N 354.450 3.953 0 40 FHAB O=C(COc1cccc2ccccc12)Nc1ccc(N2CCOCC2)cc1 5572535 JPYMOVLLZZXTKM-UHFFFAOYSA-N 362.429 3.694 0 40 FHAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(C)o2)n2ncnc2N1 4739357 ADLKTUIWIVCTHU-INIZCTEOSA-N 369.812 3.761 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2ccc(OC)c(OC)c2)c1C 6831341 KGEDKHGHGMZFSI-CYBMUJFWSA-N 374.437 3.509 0 40 FHAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cccc(C(F)(F)F)c2)[C@@H]1C 5981304 DZAUXWGQCGSJEG-LALPHHSUSA-N 357.372 3.803 0 40 FHAB CC(C)c1ccc(NC(=O)[C@@H](C)N(C)C[C@@H]2COc3ccccc3O2)cc1 7267161 UNLXENVQPRVAJI-VQIMIIECSA-N 368.477 3.909 0 40 FHAB CCc1cc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)sc1C 16109219 YKSZIWVGDSRRFS-NSHDSACASA-N 351.493 3.513 0 40 FHAB CCOc1cc2c(cc1CNC(=O)NCCc1ccc(F)cc1)O[C@@H](C)C2 9578427 DEDGRZDHVJJSNU-AWEZNQCLSA-N 372.440 3.590 0 40 FHAB Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 7989164 VTPVIESAZOQUHI-CYBMUJFWSA-N 364.401 3.912 0 40 FHAB COc1ccccc1NC(=O)c1ccc(NC(=O)c2c(C)noc2C)cc1 8136807 MJOAGGWHFKRNFK-UHFFFAOYSA-N 365.389 3.805 0 40 FHAB CC(C)CSCCC(=O)NCCOc1cccc(Br)c1 70006178 WZDJHZUHDCDFJH-UHFFFAOYSA-N 360.317 3.723 0 40 FHAB CN(C(=O)CSc1ccc(F)c(F)c1)c1ccc(Br)nc1 173105026 USHFVUGBLOMHCA-UHFFFAOYSA-N 373.222 3.877 0 40 FHAB CCCc1nnc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)s1 8908463 UCMVRXDCHBUUMT-UHFFFAOYSA-N 356.407 3.588 0 40 FHAB CCN(C(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O)c1ccccc1 24985940 NBYKNRPNOMHOHD-LJQANCHMSA-N 364.445 3.750 0 40 FHAB CCOc1ccccc1O[C@@H]1CCC[C@@H]1NC(=O)CC[C@@H]1CCCCO1 72296975 FYLGTANJAIURBY-OKZBNKHCSA-N 361.482 3.851 0 40 FHAB Cc1nonc1COc1ccc(C(=O)Nc2nc3ccccc3s2)cc1 27913351 SNQLLKNFUGQDEX-UHFFFAOYSA-N 366.402 3.819 0 40 FHAB Fc1ccc(N2CC[C@@H](CNC(=S)NC3CCCCC3)C2)cc1F 84344571 NIDRXLBVKOWTCJ-ZDUSSCGKSA-N 353.482 3.588 0 40 FHAB COc1ccc(OC)c(CC(=O)Nc2ccccc2Br)c1 20447811 DMLKHRIYWVFPOA-UHFFFAOYSA-N 350.212 3.648 0 40 FHAB COC(=O)c1sccc1NC(=O)N(C)Cc1ccccc1N1CCCC1 25085276 OEAJYHAKGSYPKT-UHFFFAOYSA-N 373.478 3.799 0 40 FHAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 408561929 LSGDGKLBCUVAFO-UHFFFAOYSA-N 373.478 3.732 0 40 FHAB Cc1cccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)c1 67235971 MPGPYXVBSBWELR-UHFFFAOYSA-N 370.478 3.653 0 40 FHAB O=C(Cc1ccc(F)cc1)Nc1cccc(S(=O)(=O)C2CCCC2)c1 31984547 HIRLCSOUZKTYCX-UHFFFAOYSA-N 361.438 3.723 0 40 FHAB CCCC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 514471843 CMBXRJWRWWYCAB-LLDVTBCESA-N 364.511 3.528 0 40 FHAB O=C(CC[C@@H]1C(=O)Nc2ccccc21)Nc1nc(-c2cccnc2)cs1 1565524294 FLHMVDVBVANYPU-AWEZNQCLSA-N 364.430 3.660 0 40 FHAB COc1ccc(-c2nc3ccc(-n4cnnc4)cc3o2)cc1Br 73640100 XUMOOZQKWYEOTB-UHFFFAOYSA-N 371.194 3.847 0 40 FHAB COc1ccc(C(=O)NCc2cccc(COCc3ccco3)c2)cc1 32915093 GYURPWHUWJOYCV-UHFFFAOYSA-N 351.402 3.935 0 40 FHAB COc1cc(/C=C/C(=O)N(Cc2ccccc2)C2CC2)cc(OC)c1OC 31096853 XTJRJCRKKPOCFK-FMIVXFBMSA-N 367.445 3.917 0 40 FHAB COc1ccc(CN2CCC[C@@H](c3nnc(-c4ccncc4)o3)C2)cc1 72389948 OQTDWUVSQSGBCP-QGZVFWFLSA-N 350.422 3.520 0 40 FHAB O=C(NCCc1ccc(Cl)cc1)Nc1ccc(N2CCCC2=O)cc1 43574196 SPLPBLOLOHCVGM-UHFFFAOYSA-N 357.841 3.831 0 40 FHAB Cc1ccccc1OC[C@H](C)NC(=O)Cc1cccc(Br)c1 225621020 PIXWWMDESPLXCP-AWEZNQCLSA-N 362.267 3.884 0 40 FHAB CN(C)C(=O)c1ccc(NC(=S)NCCSC2CCCCC2)cc1 225359227 WZROBEOACZZVGA-UHFFFAOYSA-N 365.568 3.741 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cc3cccc(C)c3oc2=O)cc1 226035096 KYEHHRJXUDJIDQ-UHFFFAOYSA-N 351.358 3.530 0 40 FHAB CC(C)(C)n1ncc2c(O)nc(N3CCC[C@@H]3c3ccc(F)cc3)nc21 531148550 MNDSXRIAVWICOR-OAHLLOKOSA-N 355.417 3.768 0 40 FHAB COc1ccc([C@H](C)NC(=O)CCc2nc(-c3cccc(F)c3)no2)cc1 225801881 QKVIBAYERXFGIT-ZDUSSCGKSA-N 369.396 3.694 0 40 FHAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Oc2nccs2)cc1 225636103 LMLKUSIAUABRRS-UHFFFAOYSA-N 354.387 3.959 0 40 FHAB Cc1ccc(C(=O)N2C[C@H]3CCC[C@@]3(COCc3ccccn3)C2)cc1 96109335 PEKTXFCPKWSYNV-KNQAVFIVSA-N 350.462 3.849 0 40 FHAB CC(C)(C)NC(=O)c1ccnn1-c1ccc2ccc(-c3ccncc3)cn12 96155275 BMGANPDFFBKFPM-UHFFFAOYSA-N 359.433 3.715 0 40 FHAB c1ccc(-c2cnc3n2CCNC32CCN(Cc3ccsc3)CC2)cc1 96263409 LIXJQFDZZUXKSD-UHFFFAOYSA-N 364.518 3.706 0 40 FHAB O=C(c1nccc2ccccc12)N1CCCC[C@H]1c1ccn2nccc2n1 257300039 RSQBZSFCFNWFPB-SFHVURJKSA-N 357.417 3.645 0 40 FHAB O=S(=O)(c1ccccc1)N1CCC(CSCc2ccco2)CC1 85472504 FNZYFZXHIDBKPC-UHFFFAOYSA-N 351.493 3.614 0 40 FHAB CCc1cccc2c(CC(=O)Nc3nc4c(s3)C(=O)CCC4)c[nH]c12 109209370 UZYHWTJSXFYHAO-UHFFFAOYSA-N 353.447 3.887 0 40 FHAB O=C(NCC1(Cc2ccc(F)cc2)CC1)N1CCO[C@H](c2ccco2)C1 678372916 ROELEAXLKWUNFS-SFHVURJKSA-N 358.413 3.525 0 40 FHAB CNCc1cccc(-c2ccc3c(c2)C(c2ccccc2)=NCC(=O)N3)c1 1242995448 AZULZMHZESQFGU-UHFFFAOYSA-N 355.441 3.863 0 40 FHAB Brc1cnc(N2CC(n3c(C4CC4)nc4ccccc43)C2)nc1 1775973002 BHNBADHGADNSLX-UHFFFAOYSA-N 370.254 3.528 0 40 FHAB O=C(c1cccc(OCc2ccccc2)c1)N1CC[C@H](OCC2CC2)C1 390832279 YJLRZTFFAAZRBK-NRFANRHFSA-N 351.446 3.907 0 40 FHAB CCOc1ccc(Oc2ccc(N[C@H](C)C(=O)N3CCOCC3)cc2)cc1 57024595 HECQDLWFYIXSDV-MRXNPFEDSA-N 370.449 3.537 0 40 FHAB FC(F)(F)c1ccccc1CN(c1cc(-n2ccnc2)ncn1)C1CC1 77192091 QSPYFUMLDXSZPL-UHFFFAOYSA-N 359.355 3.850 0 40 FHAB COc1cc(CNC(=O)c2[nH]c3ccccc3c2Cl)cc(OC)c1OC 58172104 UDDFEKKDQKQQPL-UHFFFAOYSA-N 374.824 3.777 0 40 FHAB CC1(C)C[C@H](CC(=O)N[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)C(=O)O1 19460980 OSNAZHAXKSTPIM-GCLMUHHRSA-N 355.478 3.807 0 40 FHAB CCn1cc(C(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2ccc(F)cc2)cn1 1615156557 JOELOGXOORTTSN-OALUTQOASA-N 370.472 3.704 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccc(CC(C)C)cc2)cc1 12788321 UUOKNZZTCWLDSZ-OAHLLOKOSA-N 374.506 3.883 0 40 FHAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccc(Cl)cc1)c1ccco1 13266376 UVYPPAQAVBIZON-MRXNPFEDSA-N 355.825 3.985 0 40 FHAB NC(=O)c1cc2ccccc2nc1[C@@H]1CCCN(C(=O)CC2CCCC2)C1 13267529 OKULGLDMRHOLOA-QGZVFWFLSA-N 365.477 3.620 0 40 FHAB COc1cc2oc(=O)ccc2cc1-c1c(OC)ccc2ccc(=O)oc12 13482058 NFNSSVSQSNJVCR-UHFFFAOYSA-N 350.326 3.584 0 40 FHAB biogenic,in-vitro O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 15339023 JWUHUIFHSGFIKS-ZHACJKMWSA-N 374.484 3.523 0 40 FHAB CCc1nc2n(n1)[C@@H](c1ccco1)C=C(c1ccc(OC)c(OC)c1)N2 17073016 QCPHTHLHZHFGAG-CQSZACIVSA-N 352.394 3.507 0 40 FHAB CC(C)c1[nH]c2ncccc2c1CN1CCN(C(=O)c2cccs2)CC1 19451520 OXXOPLLKTCGFAQ-UHFFFAOYSA-N 368.506 3.706 0 40 FHAB COc1cccc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)c1OC 8168740 KRCUTEIIAVRLQC-GHRIWEEISA-N 369.442 3.983 0 40 FHAB CCn1c(Cc2cccn2C)nnc1SCC(=O)c1ccc(C)cc1 3273097 NHGYHHYCEDKYQS-UHFFFAOYSA-N 354.479 3.511 0 40 FHAB Cc1ccc(NC(=O)COc2ccc(F)cc2Br)c(O)c1 5066003 NAQBPUFUSFPQSU-UHFFFAOYSA-N 354.175 3.620 0 40 FHAB O=C(NCc1cn2cc(Cl)ccc2n1)c1cccc(C(F)(F)F)c1 6161176 TWJJDWDUUZQGCV-UHFFFAOYSA-N 353.731 3.937 0 40 FHAB CCc1nnc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)s1 6882391 WSRBUCDWSLATSF-UHFFFAOYSA-N 358.448 3.667 0 40 FHAB CN(Cc1cccs1)C(=O)COc1ccc(NC(=O)c2ccco2)cc1 6881551 MNWMZPMETUUIND-UHFFFAOYSA-N 370.430 3.631 0 40 FHAB Cc1ncsc1CN1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 1889091921 VZGAKPYPLVNZFN-JSGCOSHPSA-N 368.428 3.576 0 40 FHAB O=S(=O)(NCC1(c2ccc(F)cc2)CC1)c1cccc2ccccc12 11901930 TVTYTMKJVSKOLO-UHFFFAOYSA-N 355.434 3.989 0 40 FHAB O=S(=O)(NCC[C@@H](CCO)c1ccccc1)c1cccc2ccccc12 206627128 MEELRLUESTVOMJ-SFHVURJKSA-N 369.486 3.674 0 40 FHAB Nc1cc2ccccc2nc1C1CCN(C(=O)Cc2ccc(F)cc2)CC1 12087784 LFIYBLXWEXNGGU-UHFFFAOYSA-N 363.436 3.905 0 40 FHAB COc1ccc(CNC(=O)NCC[C@H](O)c2cccc3ccccc23)cc1 77119065 YJDNNSWPNJJIOO-NRFANRHFSA-N 364.445 3.771 0 40 FHAB CCOC(=O)c1cc2cc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)ccc2s1 8816558 SLNGYHCROBSZCA-UONOGXRCSA-N 373.430 3.684 0 40 FHAB O[C@H]1C[C@@H]2CN(C3CCCC3)C[C@@H]2C[C@@H]1n1ccnc1-c1ccccc1 2332242740 MVVKIHHWPCLWEW-YHELAOLJSA-N 351.494 3.737 0 40 FHAB O=C(Nc1ccc(NCc2ccccc2)c(Cl)c1)c1cc[n+]([O-])cc1 51412497 JFUBCPOZHLBALP-UHFFFAOYSA-N 353.809 3.838 0 40 FHAB O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@H](c2nnc3ccccn23)C1 40817301 NIHZMMXJAJPBJU-AWEZNQCLSA-N 374.366 3.768 0 40 FHAB C[C@@](Cc1nc2ccccc2s1)(C(=O)N1CCOCC1)c1ccccc1 32747458 FHQWRKXEQIESJG-NRFANRHFSA-N 366.486 3.656 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)N2CCC(CN3CCCCCC3)CC2)cc1 32927274 DGTATBUMLIIHQL-LJQANCHMSA-N 357.542 3.910 0 40 FHAB Cc1cccc2c(=O)n(CCC(=O)N(C)c3ccc4ccccc4c3)cnc12 53458507 DYZVZRPGGWBVEM-UHFFFAOYSA-N 371.440 3.911 0 40 FHAB O=C(c1ccccc1)N1C[C@H](COc2ccccc2)O[C@H](c2ccco2)O1 709997 LEHRTFFXYSXILL-NQIIRXRSSA-N 365.385 3.830 0 40 FHAB C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 779380 BLOQJEIFRYSNAF-LLVKDONJSA-N 351.859 3.883 0 40 FHAB COc1ccc(C(=O)NC(=S)Nc2cccc3ccc(C)nc23)cc1 849465 SZGBDXAGBKWEBF-UHFFFAOYSA-N 351.431 3.679 0 40 FHAB O=C(CSc1nnc(-c2ccccc2O)o1)Nc1cccc(Cl)c1 873490 YLJFGFQRKHIMMI-UHFFFAOYSA-N 361.810 3.826 0 40 FHAB CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cccnc1 935566 TVHPKVHOXPVHLC-UHFFFAOYSA-N 358.854 3.988 0 40 FHAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(N2C(=O)CCC2=O)cc1 1518540 SNDRJZKFAGOHJD-UHFFFAOYSA-N 363.200 3.899 0 40 FHAB O=C(O)CCCCCCC(=O)c1cccc(I)c1 2579887 PVCJEZOAKHNTTI-UHFFFAOYSA-N 360.191 3.899 0 40 FHAB O=C(NC(=C(Cl)Cl)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 2700866 PXTPYARLXAZUCG-UHFFFAOYSA-N 374.220 3.634 0 40 FHAB C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)c1ccccc1 2940091 DLCCUHZGZIOGSR-LPHOPBHVSA-N 352.434 3.665 0 40 FHAB C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cn1 3332488 GZZOZNXGUPKYKQ-LBPRGKRZSA-N 371.824 3.719 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nnc(NC(C)C)s2)c1 3383163 UYGBHRLVQRRBBK-NSHDSACASA-N 364.496 3.680 0 40 FHAB Cc1cccc(-c2nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)n2C)c1 3400363 LHOYIOQPXPWULR-GOEBONIOSA-N 358.511 3.578 0 40 FHAB COc1ccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)c(OC)c1 3452798 NAYUMCCQWPYUBC-UHFFFAOYSA-N 368.477 3.597 0 40 FHAB O=C(Nc1ccccc1)N(c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 4158640 AHGCWOIPNJEAKJ-MRXNPFEDSA-N 364.854 3.566 0 40 FHAB CCc1cccc(CC)c1NC(=O)c1ccc(NC(=O)CCC(=O)O)cc1 4593119 VHEMMKKHNAFGQT-UHFFFAOYSA-N 368.433 3.867 0 40 FHAB COc1ccccc1N1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 4682649 PSAGYBBZJCSSTP-UHFFFAOYSA-N 369.852 3.792 0 40 FHAB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1 4731482 QZRNZIPFWVFRHB-IBGZPJMESA-N 363.417 3.515 0 40 FHAB CCCCCOC(=O)CSc1nc(N)c2c3c(sc2n1)CCCC3 4734473 CGEFZVLMQVOWON-UHFFFAOYSA-N 365.524 3.978 0 40 FHAB CCCCN1C(=O)S/C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O 5552453 GLSNYZXTUKAJBD-UVTDQMKNSA-N 351.424 3.549 0 40 FHAB CCCCn1c(O)c(C(=O)Nc2ccc(F)cc2)c(=O)c2ccccc21 5737729 JGABWZUSNBXIKF-UHFFFAOYSA-N 354.381 3.899 0 40 FHAB Cc1cc(C(=O)Cn2cnc3sc4c(c3c2=O)CCC4)c(C)n1C1CC1 6111650 BUKJXFUJKFKSGH-UHFFFAOYSA-N 367.474 3.583 0 40 FHAB O=C(Nc1ccc(-c2nn3cnnc3s2)cc1)c1ccccc1Cl 6251763 MHGYKPJHKVDIEH-UHFFFAOYSA-N 355.810 3.759 0 40 FHAB CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1cc(F)ccc1C)C(C)C 6657262 YJXSIDDGNRNUOM-IBGZPJMESA-N 372.440 3.926 0 40 FHAB CC(C)OCCCNc1nc2ccccc2c2nc(-c3ccncc3)nn12 6805477 KXEFYCRWCSMUAH-UHFFFAOYSA-N 362.437 3.567 0 40 FHAB CC(C)NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1-c1ccccc1 6993530 NQRMWTDYQLMXBC-HNNXBMFYSA-N 366.490 3.940 0 40 FHAB CCN(C(=O)[C@@H](C)Nc1cc(NC(C)=O)ccc1OC)C1CCCCC1 7057963 OMJDILOZDBXSNI-CQSZACIVSA-N 361.486 3.635 0 40 FHAB COc1cccc(-c2nnc(SC[C@H]3CCCO3)n2Cc2ccco2)c1 7113395 NRCUSMAQGRSHJQ-QGZVFWFLSA-N 371.462 3.866 0 40 FHAB CCCn1nnnc1NCc1cccc(OCc2ccc(Cl)cc2)c1 7263440 YXEMXLSWQTVJFK-UHFFFAOYSA-N 357.845 3.928 0 40 FHAB Cc1ccccc1OCCCCn1c(CCCNC=O)nc2ccccc21 7547258 UPDCKBFWCVXPAQ-UHFFFAOYSA-N 365.477 3.883 0 40 FHAB O=C(CSc1nc2ccccc2o1)OCc1cn2cc(Cl)ccc2n1 7738740 LCAXFXUFIOCENO-UHFFFAOYSA-N 373.821 3.964 0 40 FHAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCSCc1ccccc1 8049992 VGWXPJPVFZHHJB-QGZVFWFLSA-N 359.491 3.902 0 40 FHAB CC[C@@H](NC(=O)Cc1c(C)noc1C)c1ccc(Br)cc1 8704430 SWCLKNVYCGWQNI-OAHLLOKOSA-N 351.244 3.864 0 40 FHAB CC(=O)N[C@@H](CC(=O)Nc1cccc(Br)c1)c1cccs1 8728921 TZJDICZKKXOPFN-ZDUSSCGKSA-N 367.268 3.717 0 40 FHAB CCCCc1nnc(SCCCOc2ccccc2C(=O)O)n1CC 8731783 LYCBPXMHAMLBGC-UHFFFAOYSA-N 363.483 3.900 0 40 FHAB COc1ccc(-c2nc(Cn3ncc(Cl)c(Cl)c3=O)cs2)cc1 8848323 VJTKUFLEHUYDRM-UHFFFAOYSA-N 368.245 3.731 0 40 FHAB CC[C@@H](OC(=O)c1cc2ccccc2cc1OC)C(=O)Nc1cc(C)on1 9076980 KMXGOECXBNUYNJ-MRXNPFEDSA-N 368.389 3.719 0 40 FHAB O=C(Nn1c(-c2ccco2)n[nH]c1=S)[C@H]1C[C@@H]1c1ccccc1Cl 9544619 BHFINRFVCYUIFX-MNOVXSKESA-N 360.826 3.728 0 40 FHAB COc1ccccc1/C=C/C(=O)Nc1ccccc1C(=O)N1CCCCC1 10029566 GIHLQXJDHHTUQU-BUHFOSPRSA-N 364.445 3.973 0 40 FHAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)c(C)c1 10324639 XQYCOPJKCLIAJV-OAHLLOKOSA-N 372.490 3.575 0 40 FHAB O=C(CSc1nncn1C1CC1)N[C@@H](c1ccccc1)c1cccs1 10649420 MFEMFBPUZHMNPB-KRWDZBQOSA-N 370.503 3.672 0 40 FHAB COc1cccc(-c2cn3c(C(=O)Nc4ccccn4)csc3n2)c1 11902279 YSAQKMGGMHLNBB-UHFFFAOYSA-N 350.403 3.719 0 40 FHAB CC[C@H](NC(=O)c1ccc(-n2cnnc2)cc1Cl)c1ccc(F)cc1 12148564 YACTWALMFYHPCF-KRWDZBQOSA-N 358.804 3.941 0 40 FHAB CC(C)CS(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 12180345 ZZSUGUBXXMAXMC-UHFFFAOYSA-N 372.490 3.677 0 40 FHAB Fc1ccccc1CN(Cc1ccnn1[C@@H]1CCCCO1)C[C@H]1CCCO1 12187031 SDBCIURBGJXRHL-CTNGQTDRSA-N 373.472 3.903 0 40 FHAB O=C1/C(=C/c2ccc(F)cc2)N=C2SCN(c3ccc(F)cc3)CN12 12324859 PAGQVAQATRGRDG-SXGWCWSVSA-N 357.385 3.672 0 40 FHAB Cc1ncc(-c2onc(C)c2C)c(CCNC(=O)c2csc(C)c2C)n1 12747730 LQTHYQYXNBWWCA-UHFFFAOYSA-N 370.478 3.708 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)c2cncc(Br)c2)cc1 13011315 IWTMDEAYIMVCCT-INIZCTEOSA-N 361.239 3.830 0 40 FHAB COc1ccc(-c2noc(CSc3nnc(SC)s3)n2)cc1 14117172 HYGLMSSANICIEN-UHFFFAOYSA-N 352.466 3.611 0 40 FHAB Cc1ccc([C@H](NC(=O)CN(C)Cc2ccco2)c2cccs2)cc1 14140194 RHCWSXUMYFDLIZ-FQEVSTJZSA-N 354.475 3.987 0 40 FHAB CCOC(=O)[C@@H](C)NC(=S)c1nc2ccccc2nc1-c1ccccc1 16682172 NIRLQGXURRRCLP-CYBMUJFWSA-N 365.458 3.514 0 40 FHAB CCCCC(=O)Nc1cc(O)nc2nc(-c3ccc(C(C)(C)C)cc3)nn12 17042581 SAKPJEGSDFOCSN-UHFFFAOYSA-N 367.453 3.923 0 40 FHAB O=C(CSc1ncccn1)Nc1ccc(Br)cc1Cl 17074036 SYQLAZZENYBQNH-UHFFFAOYSA-N 358.648 3.623 0 40 FHAB CC1=C(C)C[C@@H](C(=O)Nc2sccc2C(=O)OC(C)C)[C@H](C(=O)O)C1 17075087 PRYRDYOUSIGFQQ-ZIAGYGMSSA-N 365.451 3.699 0 40 FHAB O=C(COC[C@@H]1CCCCO1)N[C@H]1[C@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 19373823 LKBLVJDAOFNYSY-PAPPXSOASA-N 357.494 3.661 0 40 FHAB Cc1cnc(C(=O)N2CCC[C@@H]2c2ccc(Cc3ccccc3)cn2)cn1 19687855 MHQHXMNGZQXLFT-OAQYLSRUSA-N 358.445 3.748 0 40 FHAB Cc1nc([C@@H]2CCCCN2C2CCCC2)ncc1C(=O)N1CCCCC1 19765729 ZPMICKCDXHATML-IBGZPJMESA-N 356.514 3.881 0 40 FHAB O=C(COc1ccc2ccccc2c1)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 19913617 CIQVBVNZVDDABJ-WEYGHZABSA-N 364.489 3.551 0 40 FHAB CN(C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)C1CCCC1 19933018 XUTMQJWPYAQILC-UHFFFAOYSA-N 358.463 3.502 0 40 FHAB CCc1cccc(C)c1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1F 20404107 AQTFSLKGCBUBRQ-SFHVURJKSA-N 354.425 3.940 0 40 FHAB CCOc1ccc([C@@H](C)NS(=O)(=O)Cc2cccc(Cl)c2)cc1 20484449 FSOLLZRUYVPSEL-CYBMUJFWSA-N 353.871 3.919 0 40 FHAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1(C)C 22186370 UVSPMORNQVUPDX-MOPGFXCFSA-N 354.494 3.646 0 40 FHAB O=C1C[C@H](C(=O)OCc2cc(-c3ccccc3)no2)c2ccc(F)cc2N1 22286966 BXDBQYPZEUBLNJ-INIZCTEOSA-N 366.348 3.650 0 40 FHAB O=C(COc1ccccc1)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 23140282 UXDYLLBLZVQFME-CQSZACIVSA-N 369.446 3.583 0 40 FHAB COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1F 25730846 JFLWNLCAKORXSU-UHFFFAOYSA-N 356.397 3.713 0 40 FHAB O=C(NC1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccc(F)cc1 27698609 QZFFWDAWUMNGRF-SEJPIABJSA-N 352.453 3.794 0 40 FHAB COc1ccc(-c2nc(CCNC(=O)Cc3ccccc3)cs2)cc1 27993686 ZHUUXMMFKMAQKU-UHFFFAOYSA-N 352.459 3.720 0 40 FHAB COc1cc(C(C)=O)ccc1OS(=O)(=O)c1cccc2cc(C)cnc12 29299100 GPOQIYHIFRDXHY-UHFFFAOYSA-N 371.414 3.522 0 40 FHAB C[C@H](N[C@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc(Cl)cc1 30282966 SXUKIRXCUQIQLF-KXBFYZLASA-N 358.869 3.591 0 40 FHAB CC(=O)c1ccccc1OCCOC(=O)c1ccc2nc(C)c(C)nc2c1 32741750 QDKSZBAUCAMZSP-UHFFFAOYSA-N 364.401 3.685 0 40 FHAB CC[C@H]1CCc2sc(C(=O)O[C@@H](C)C(=O)Nc3cc(C)no3)cc2C1 32876059 NRBMBQRJQBBMEO-RYUDHWBXSA-N 362.451 3.743 0 40 FHAB Cc1ccc(C)c(N2N=C(C(=O)N[C@@H](C)Cc3cccs3)CCC2=O)c1 33204318 OEUVCFDUHGUBER-HNNXBMFYSA-N 369.490 3.595 0 40 FHAB CCC(CC)N(C)S(=O)(=O)c1ccc(Br)cc1Cl 37404041 REXPQUYYWADEOV-UHFFFAOYSA-N 354.697 3.912 0 40 FHAB Cc1nn(Cc2ccccc2)c2sc(C(=O)NCc3cccnc3)cc12 37868469 XQOSXSVJAUOUNG-UHFFFAOYSA-N 362.458 3.780 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)[C@H](C)Oc2ccc(F)cc2)c(OC)c1 39983253 NLIJUNDASPGFHW-IFXJQAMLSA-N 373.424 3.974 0 40 FHAB O=C(Nc1ccc(-n2cncn2)nc1)c1ccc(-c2ccccc2F)s1 40074013 UABZGZUIJUEGEB-UHFFFAOYSA-N 365.393 3.782 0 40 FHAB CN(C)C1(CNC(=O)c2cc(Br)ccc2Cl)CCCC1 40092697 KWUMQVRINHWDJF-UHFFFAOYSA-N 359.695 3.707 0 40 FHAB CCCc1ccccc1NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 40133625 AJIKOFPZUHYNNB-OAHLLOKOSA-N 358.873 3.938 0 40 FHAB C[C@@H](CNC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)CN1CCCC1 40152065 CRNMGGHZMXBPDG-INIZCTEOSA-N 353.510 3.899 0 40 FHAB Fc1ccc(-c2n[nH]cc2CNCc2ccc(N3CCCC3)nc2)cc1 42226037 AWVBFAYTFHLNBP-UHFFFAOYSA-N 351.429 3.501 0 40 FHAB CCOC(=O)[C@@H](CSc1ccccc1)NC(=O)OCc1ccccc1 43179062 BMXQPIYHLKCTAQ-QGZVFWFLSA-N 359.447 3.637 0 40 FHAB COc1ccc(CN2CCC(NC(=O)Nc3ccccc3)CC2)cc1F 47320503 XQHIPLLZAHKQCH-UHFFFAOYSA-N 357.429 3.620 0 40 FHAB CCOC(=O)c1c(NCc2ccccc2F)c2cccc(C)c2[nH]c1=O 49001458 RCANLLPWKFFKFQ-UHFFFAOYSA-N 354.381 3.764 0 40 FHAB CCOC(=O)c1c(NCc2ccc(OC)cc2)c2cc(C)ccc2[nH]c1=O 49001481 NPJNVZLKVJBZIL-UHFFFAOYSA-N 366.417 3.634 0 40 FHAB CN(CCOc1ccccc1Cl)CC(=O)N[C@@H]1CCCc2ccccc21 49581224 NOZOYKSQENWFNN-LJQANCHMSA-N 372.896 3.844 0 40 FHAB O=c1ccc(C(F)(F)F)cn1Cc1nnc(-c2ccc(Cl)cc2)o1 49874654 IJADLRPRYIZIIT-UHFFFAOYSA-N 355.703 3.619 0 40 FHAB C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccccc2N(C)C)C1 54406195 VKBNHXRZQXTXJM-WMZOPIPTSA-N 352.482 3.710 0 40 FHAB COc1ccc(-c2cc(C(=O)NC[C@@H](C)c3ccccc3)n[nH]2)c(OC)c1 57477350 KELACXKDYZGPTF-CQSZACIVSA-N 365.433 3.627 0 40 FHAB CC[C@@H](c1nnnn1C1CCCC1)N1CCN(c2cc(C)ccc2C)CC1 57669550 JOFVXNVOHVWVHD-IBGZPJMESA-N 368.529 3.678 0 40 FHAB COCCCCN1C(=O)[C@H](Oc2ccccc2C)[C@@H]1c1cccc(OC)c1 58154813 XIUAOKDIPLFZOA-LEWJYISDSA-N 369.461 3.761 0 40 FHAB O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2cccc3[nH]ncc23)CC1 58335566 QAHNZIKVGQQARN-UHFFFAOYSA-N 369.371 3.576 0 40 FHAB Cn1nc2c(c1NC(=O)CCn1ccc3ccc(Cl)cc31)CSC2 61719976 CNENERRZOFVMEI-UHFFFAOYSA-N 360.870 3.804 0 40 FHAB CCc1ccc(CNC(=O)c2c(C)sc3ccn(CC)c(=O)c23)cc1 65230151 MHRDQJAKYWIZDH-UHFFFAOYSA-N 354.475 3.884 0 40 FHAB O=C(COCCOc1ccccc1)N1CCC[C@H]1CCc1ccccc1 70010646 YRUBBOAMUXFOQL-FQEVSTJZSA-N 353.462 3.706 0 40 FHAB C[S@](=O)c1cccc(NC(=O)C(C)(C)Oc2cccc(Cl)c2)c1 72281473 YXVJDSZRVOYZQD-HSZRJFAPSA-N 351.855 3.874 0 40 FHAB O=C(NCc1cccs1)c1cn[nH]c1-c1cccc(Br)c1 72329069 QJAVCSHCYYUFEW-UHFFFAOYSA-N 362.252 3.831 0 40 FHAB CCCN1CC[C@@H]2[C@H](C1)[C@@H](c1cccc(OC)c1)CN2C(=O)C1CCCC1 72330693 GEIPWNRPWVASBU-YPAWHYETSA-N 370.537 3.912 0 40 FHAB COc1ccccc1-c1nccnc1[C@H]1CCCN(C(=O)c2cccnc2)C1 72358704 JBNDIMCUWGIUEM-KRWDZBQOSA-N 374.444 3.567 0 40 FHAB Cc1cc(Oc2ccccc2F)nc([C@H]2CCCN(C(=O)C3CC3)C2)n1 72362030 WZHPNFMQXYOGFB-HNNXBMFYSA-N 355.413 3.832 0 40 FHAB O=C(C1CCCC1)N1CCC[C@@H](c2nccnc2Oc2cccnc2)C1 72383962 PPHYNCLYWKPRLY-MRXNPFEDSA-N 352.438 3.560 0 40 FHAB COCCOC[C@H]1CCN(C(=O)c2ccccc2Nc2ccccc2)C1 81267190 TWPZLTQYZBTBLY-KRWDZBQOSA-N 354.450 3.555 0 40 FHAB CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccco3)cc21 84140076 CLAQZDVYPPYEJD-HUUCEWRRSA-N 368.433 3.793 0 40 FHAB CCCn1c(SCC(=O)c2ccc3c(c2)Cc2ccccc2-3)n[nH]c1=O 84759137 XUPMCNZLOCYALR-UHFFFAOYSA-N 365.458 3.528 0 40 FHAB Cn1cnc2cc(C(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)ccc21 89761864 GAHSZHFUUYKPNH-OAHLLOKOSA-N 360.417 3.734 0 40 FHAB CCCCC[C@H](O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCCOC 90427934 VWEVSUSNDAHANL-MMLDEXOBSA-N 354.531 3.605 0 40 FHAB Cc1ccc(N(C(=O)NC(C)C)[C@H](C)c2nnc3n2CCCCC3)cc1 94992709 VRMRYXOBRKWHNA-MRXNPFEDSA-N 355.486 3.999 0 40 FHAB CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(-n2cncn2)nc1 95950611 IISJQULQAMKTTK-KRWDZBQOSA-N 365.437 3.582 0 40 FHAB COc1cc(C=O)ccc1OCCC(=O)N[C@H](C)Cc1ccc(C)cc1C 96012397 IEGCXZWAJUVVLN-QGZVFWFLSA-N 369.461 3.641 0 40 FHAB COc1cccc(CN2CCC3(CC2)CCN(Cc2ccccn2)C3)c1 96157602 HUMGGTDMGQBZNM-UHFFFAOYSA-N 351.494 3.578 0 40 FHAB Cc1ccc(NC(=O)c2ccc3c(c2)N(C)[C@H]2CCCCN2C3=O)cc1F 97944057 FOFBREVPXORSMU-LJQANCHMSA-N 367.424 3.788 0 40 FHAB Cc1ccc(C(=O)NC2C[C@H]3CCC[C@H](C2)N3C(=S)NCC(C)C)cc1 100426788 PAEOHARENRTHNZ-RTBURBONSA-N 373.566 3.641 0 40 FHAB Fc1ccccc1[C@H]1C=C(c2ccc(Br)cc2)Nc2nnnn21 101070173 UANYPENPKQDQJK-OAHLLOKOSA-N 372.201 3.631 0 40 FHAB COc1ccc(CCCNC(=O)Cc2cccc(Br)c2)cc1 125004798 UFJSBZSTQYKKCC-UHFFFAOYSA-N 362.267 3.749 0 40 FHAB Cc1cc(Cl)ncc1NC(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1 136031537 JHZIEEMQMARWPV-UHFFFAOYSA-N 362.220 3.838 0 40 FHAB Cc1cc(C(=O)NCc2nc3cccnc3[nH]2)c(C)n1C1CCCCC1 194222033 ZZTGPGWAERQQKV-UHFFFAOYSA-N 351.454 3.811 0 40 FHAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 222986127 VHFVXQHKGGGDSM-LJQANCHMSA-N 366.505 3.871 0 40 FHAB CCCCc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)NC)cc2)cc1 223291997 KQDKJCGWHCSKNY-XNTDXEJSSA-N 372.490 3.589 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1C 223887488 KHWIQJUJQQFMNR-QGZVFWFLSA-N 370.468 3.620 0 40 FHAB Cc1ccc(CN(C(=O)Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1 224176024 SZQUTRBAHATZOS-LJQANCHMSA-N 366.505 3.727 0 40 FHAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 225164037 XGFNVGSPOCNEKJ-NRFANRHFSA-N 366.505 3.871 0 40 FHAB COc1ccc([C@H](C)NC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1 225798099 UQWBBGSBCIJDKO-ZDUSSCGKSA-N 369.396 3.694 0 40 FHAB CCN(CC(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1cc(C)ccc1C 225933117 CFJMJUISFOZJMO-UHFFFAOYSA-N 374.506 3.570 0 40 FHAB COc1c(Cl)cc(Cl)cc1C(=O)n1cc(C(N)=O)c2ccccc21 226367343 ODNWAMGILYQLRI-UHFFFAOYSA-N 363.200 3.744 0 40 FHAB COc1ccc(NC(=O)COc2cc(C)nc3c(OC)cccc23)cc1 227149077 YPEJPALUMSNXSH-UHFFFAOYSA-N 352.390 3.578 0 40 FHAB O=C(COc1ccc(-c2ccccc2)cc1)N1CC[C@H](Oc2ccccn2)C1 238854388 JUIRUEBBEUOGST-NRFANRHFSA-N 374.440 3.807 0 40 FHAB CO[C@H](CNC(=O)c1ccc(C(F)(F)F)nc1)c1cc2ccccc2o1 253470817 AALVDQDEPOMHJX-OAHLLOKOSA-N 364.323 3.964 0 40 FHAB c1cc(-c2cn[nH]c2)nc([C@@H]2CN(Cc3ccnc4ccccc34)CCO2)c1 257252432 JUTJZLDISSAYOL-QFIPXVFZSA-N 371.444 3.593 0 40 FHAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3C[C@@H]3C)CC2)on1 257312991 UQOHPKXPRIIPFQ-STECZYCISA-N 368.481 3.794 0 40 FHAB COCCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c1C 260766290 JODIEFLECAOFNF-NIKGAXFTSA-N 370.522 3.736 0 40 FHAB Cc1cc(C)c(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)c(C)c1 408592978 LGYHAPQOPDRELZ-UHFFFAOYSA-N 374.506 3.859 0 40 FHAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccccc4)cc3)C(=O)[C@H]21 408670146 IFPQSKVYRVLEHW-CCKFTAQKSA-N 360.413 3.641 0 40 FHAB C[C@@H]1CCC[C@H]2C1=NN(C(=O)CCc1ccccc1)[C@]2(O)C(F)(F)F 409183827 VIRFGNFKMHKNRO-HACGYAERSA-N 354.372 3.505 0 40 FHAB CCOc1ccncc1S(=O)(=O)N1CCCCC[C@H]1c1ccccc1 568719832 GFOJRGKHENBZSF-KRWDZBQOSA-N 360.479 3.786 0 40 FHAB CC1(C)CN(Cc2ccsc2C(=O)O)C[C@@H](COc2ccccc2)O1 570698314 NRZPXGVLGUJIJJ-INIZCTEOSA-N 361.463 3.505 0 40 FHAB O=S(=O)(Nc1ccccc1-c1cn2c(n1)CCCC2)c1cccc(F)c1 575619103 GMTSIMMWOPSALA-UHFFFAOYSA-N 371.437 3.826 0 40 FHAB CN(C)[C@@H](CNC(=O)COc1ccccc1F)c1csc2ccccc12 575621644 QAENRRLMWRYWBA-KRWDZBQOSA-N 372.465 3.838 0 40 FHAB CCCOc1c(Cl)cc(C(=O)N(C)[C@H]2C[C@@H](OC)C2)cc1OCC 585082235 JRBRVRNVNYSEIO-OKILXGFUSA-N 355.862 3.777 0 40 FHAB COc1cc2c(cc1OC)[C@@H](NC(=O)CCCCCn1cccc1)CC2 604419315 RELGVAORGDJSEU-SFHVURJKSA-N 356.466 3.869 0 40 FHAB C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1cn[nH]c1 618238207 UHYRVAYMXIBPGX-INIZCTEOSA-N 353.344 3.546 0 40 FHAB O=C(NCc1ccc2cncn2c1)N[C@@H]1CCCc2ccc(Cl)cc21 624189879 BUOGELWDMMEMTP-GOSISDBHSA-N 354.841 3.865 0 40 FHAB CC(=O)N1CCCN(Cc2ccccc2)CCNCc2ccc(Cl)cc21 643588932 MPMVPLUXCJUBTN-UHFFFAOYSA-N 371.912 3.688 0 40 FHAB C[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1)c1ccc(C(F)F)nc1 657923412 UGIQSDONIOUCNF-YUFWVBKYSA-N 371.431 3.827 0 40 FHAB O=C(N[C@H](c1cccs1)C1CCOCC1)c1cc(-c2cccnc2)on1 1565523432 ODKLOCZFHLGSHL-SFHVURJKSA-N 369.446 3.696 0 40 FHAB CC(=O)N1CCC(N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2cccc(F)c2)CC1 1615153524 FKMVIXIGHVEQQD-SFTDATJTSA-N 373.516 3.658 0 40 FHAB CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)c2sc3ccccc3c2C)C1 1775957524 YWAZNXZTTBAVTL-GXTWGEPZSA-N 357.435 3.503 0 40 FHAB Cc1nc(C)c(CN2CC[C@H](Oc3ccncc3Br)C2)s1 1888844236 IASLYPQMIFHCBA-LBPRGKRZSA-N 368.300 3.571 0 40 FHAB O=C([C@H]1CCCCO1)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 1889980410 WFQDUOHXPWFQNN-HXUWFJFHSA-N 365.477 3.782 0 40 FHAB O=C(c1cncc(F)c1)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1890009340 XHMCVJKVEXWHQY-UHFFFAOYSA-N 370.815 3.837 0 40 FHAB Cc1ccccc1CN1CCC(Nc2ccccc2)(C(=O)N2CCC2)CC1 2055754798 VSMSWMGNLODWNB-UHFFFAOYSA-N 363.505 3.674 0 40 FHAB CC(C)COC(=O)N1CCC([C@H]2CCCCN2C(=O)C2CC(F)C2)CC1 2056226729 YRDVDZBLRWVCDZ-DAWZGUTISA-N 368.493 3.620 0 40 FHAB CCC(=O)NC(=S)Nc1ccc2nn(-c3ccc(C)c(Cl)c3)nc2c1 724317 XHFGJGBHQFUXMR-UHFFFAOYSA-N 373.869 3.605 0 40 FHAB CCOc1ccc(N2C[C@@H](C(=O)Nc3cc(C)ccc3F)CC2=O)cc1 806786 PJNCQHKBZZPKGG-AWEZNQCLSA-N 356.397 3.524 0 40 FHAB COc1ccc(OCc2nnc(SCc3ccc(C(=O)O)cc3)o2)cc1 899715 ZEDVJIIFFQYSLS-UHFFFAOYSA-N 372.402 3.648 0 40 FHAB CCc1ccc(NC(=O)CN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 1336349 SWZVQDHIPUJCHK-UHFFFAOYSA-N 368.452 3.922 0 40 FHAB Cc1cccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)[nH]2)c1C 1368224 FDHHPFSSWQIZMG-UHFFFAOYSA-N 373.503 3.949 0 40 FHAB COc1ccc(C(=O)Nc2ccnn2Cc2ccccc2Cl)cc1OC 23272496 FENHBXZRTVDHMQ-UHFFFAOYSA-N 371.824 3.854 0 40 FHAB CCC[C@H](C)NC(=O)COC(=O)COc1ccc(Nc2ccccc2)cc1 2657019 JQARFZAEJBKVTA-INIZCTEOSA-N 370.449 3.657 0 40 FHAB Cc1ccccc1CSCC(=O)Nc1ccc(N2CCOCC2)cc1 3380445 WSCQENLMGWYOCG-UHFFFAOYSA-N 356.491 3.704 0 40 FHAB CC(C)CCOc1ccc(C(=O)NCc2ccc(C(=O)N(C)C)cc2)cc1 42635621 SCIPFWOYJMFXMH-UHFFFAOYSA-N 368.477 3.743 0 40 FHAB COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)c1ccco1 4063450 LBJSBAVMHKMSEJ-LRQRDZAKSA-N 355.434 3.797 0 40 FHAB biogenic O=C(NCc1ccncc1)C(=O)c1c(-c2ccccc2)cc2ccccn12 7365787 OGANUOOGERURBC-UHFFFAOYSA-N 355.397 3.500 0 40 FHAB Cc1cccc(-c2noc(CN(C)C(=O)COc3ccc(C)c(C)c3)n2)c1 7759624 JCOSJMBBYWUAEA-UHFFFAOYSA-N 365.433 3.699 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@H](C)N1CCN(c2ccccc2F)CC1 12549171 ODSIVTYRUCQOBF-KRWDZBQOSA-N 355.457 3.592 0 40 FHAB O=S(=O)(c1ccccc1)[C@@H]1[C@H]2c3ccccc3[C@@H](O)[C@H]1c1ccccc12 104091244 SBOBQHDNOZJZQP-GXRSIYKFSA-N 362.450 3.805 0 40 FHAB Cc1ccc(NC(=O)c2ccc(NC(=O)CCCC(=O)O)cc2)cc1C 8434580 UZVANEFIMBYFOI-UHFFFAOYSA-N 354.406 3.749 0 40 FHAB Cn1ccnc1C(=O)c1ccc(NC(=O)C2(c3ccccc3)CCC2)cc1 25321700 XANIUJNOKHLETR-UHFFFAOYSA-N 359.429 3.712 0 40 FHAB Cc1nc(NC(=O)[C@H](C)OC(=O)c2cc(C)n(C3CC3)c2C)sc1C 26706380 NVVBZXORJPQKTE-LBPRGKRZSA-N 361.467 3.697 0 40 FHAB Cc1sc2ncnc(Nc3ccc(CN4CCOCC4)cc3)c2c1C 25571799 UFQAEXFRHCJBFC-UHFFFAOYSA-N 354.479 3.884 0 40 FHAB O=S(=O)(CCNCc1ccc(Cl)c(Cl)c1)Cc1ccccc1 48285643 WXWAPXOAHJJYEX-UHFFFAOYSA-N 358.290 3.698 0 40 FHAB O=C(NCCNc1ncnc2c1oc1ccccc12)c1ccccc1Cl 48254117 DKGOYYOIQZJRJN-UHFFFAOYSA-N 366.808 3.871 0 40 FHAB Cc1ccc(NC(=O)N[C@H](c2nc(-c3ccncc3)no2)C(C)C)cc1 58245980 AGFKXLUFEHVCSR-INIZCTEOSA-N 351.410 3.959 0 40 FHAB Cc1ccccc1N/C=C\c1nnnn1-c1ccc(Br)cc1 100209667 DGZOMECVWDXMSE-KHPPLWFESA-N 356.227 3.816 0 40 FHAB O=C1/C(=C\c2ccc(F)c(F)c2)NC(=S)N1Cc1ccccc1Cl 102912753 XEIPBUHDGWRFHV-OVCLIPMQSA-N 364.804 3.876 0 40 FHAB CC(C)Cc1nc2sc3c(NC[C@@H](C)O)ncnc3c2c2c1CCC2 2264401 ZDFNBIGPWCUENG-LLVKDONJSA-N 356.495 3.719 0 40 FHAB O=C(CCc1ccc2c(c1)OCCO2)Nc1nnc(-c2ccccc2)s1 28282846 YRLSDYSQTNEMDP-UHFFFAOYSA-N 367.430 3.548 0 40 FHAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1cccc(SC)c1)cn2C 22237266 LJWHGQIGMUINHS-UHFFFAOYSA-N 368.458 3.911 0 40 FHAB Cc1nccn1-c1ccc(NC(=O)c2ccc(CN3CCCC3)o2)cc1 28240581 SBSOLNPTJWRSJK-UHFFFAOYSA-N 350.422 3.622 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)Cc2cccc3ccccc23)c1 3345188 KBFPCKOIHFLAPH-OAHLLOKOSA-N 374.440 3.728 0 40 FHAB Cc1ccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc1C 12819763 DZYHQVQRSJESIE-GJZGRUSLSA-N 359.495 3.621 0 40 FHAB COCCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nc(C)c1C 46028951 FAFYEQWFUIVTDY-UHFFFAOYSA-N 367.902 3.839 0 40 FHAB Cc1ccc(Nc2nnc(SCc3ccc(F)cc3)n(C)c2=O)cc1 28538201 CQFSKUZKSYDHDY-UHFFFAOYSA-N 356.426 3.659 0 40 FHAB Cc1ccccc1[C@@H](OC[C@H](O)CNCc1ccccn1)c1ccccc1 2645868 HXOHACQGXBNOGX-GGAORHGYSA-N 362.473 3.647 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2ccccc2)o1 2631983 JRKBXZOAQVJJAS-OAHLLOKOSA-N 367.474 3.966 0 40 FHAB CC(=O)N[C@H](CC(=O)Nc1ccc2nc(C)sc2c1)c1ccccc1 2640259 BHTQQUFQMSSDMZ-QGZVFWFLSA-N 353.447 3.811 0 40 FHAB CC(=O)c1ccc(NC(=O)COC(=O)Cc2cccc3ccccc23)cc1 3508304 SYJJNYDTAHMORP-UHFFFAOYSA-N 361.397 3.767 0 40 FHAB CN(CC(=O)Nc1cccc(F)c1)Cc1ccccc1OC(F)(F)F 12904584 QBEUKCNGMZREGB-UHFFFAOYSA-N 356.319 3.795 0 40 FHAB O=C(N[C@@H](c1ccccc1)C1CC1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 13005576 MHELLAPBEZQPEL-PMACEKPBSA-N 364.445 3.685 0 40 FHAB CON(C)C(=O)/C=C/c1c(C)nn(Cc2c(Cl)cccc2Cl)c1C 13004929 FJCVUMMXNZWFAM-CMDGGOBGSA-N 368.264 3.888 0 40 FHAB O=C(O[C@H](C(=O)N1CCCC1)c1ccccc1)c1nccc2ccccc12 64875084 AQPVMKNSCCYECG-FQEVSTJZSA-N 360.413 3.755 0 40 FHAB NC(=O)c1cc(Cl)ccc1OCCOc1cccc(Br)c1 6127882 WZTVACOXENKFBQ-UHFFFAOYSA-N 370.630 3.659 0 40 FHAB C[C@@H](O)CN(CC(=O)N1CC[C@@H](C)Sc2ccccc21)c1ccccc1 65489635 AZQZMLGEHXFTPP-IAGOWNOFSA-N 370.518 3.791 0 40 FHAB O=C(OCc1cc(Cl)cc2c1OCOC2)c1cc(=O)c2ccccc2o1 6423248 DNMVAYSKGJTBEY-UHFFFAOYSA-N 372.760 3.670 0 40 FHAB CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc2ccccc2n1 6427712 RARRYIZERFJFSV-UHFFFAOYSA-N 365.458 3.667 0 40 FHAB O=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)Nc1ccc(F)cc1 4691267 PTBFKIHSSNJAAK-MDWZMJQESA-N 362.407 3.562 0 40 FHAB COc1ccc(C(=O)C2CCN(C(=O)[C@]3(C)CC3(Cl)Cl)CC2)cc1 25916280 KQBGIWRRYHVNIU-KRWDZBQOSA-N 370.276 3.700 0 40 FHAB O=C(c1ccco1)N1CCC[C@@H]1c1ncn2cc(-c3cccnc3)ccc12 306123014 ACGINQCCXWDNJL-GOSISDBHSA-N 358.401 3.967 0 40 FHAB COc1ccc(Cl)cc1C(=O)OCc1nc(-c2ccccc2OC)no1 7047234 XLDUVGGPLVQFCW-UHFFFAOYSA-N 374.780 3.764 0 40 FHAB CC(C)[C@@H](NCc1ccc2c(c1)OCCO2)c1nc(-c2ccccc2)no1 67502345 CWIUJDIYVQEAEO-LJQANCHMSA-N 365.433 3.995 0 40 FHAB COc1ccc(CN2CCCC[C@H]2c2nc(-c3ccncc3)no2)cc1 65286340 OMTPDQODPKVMPB-SFHVURJKSA-N 350.422 3.867 0 40 FHAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1ccc(C)c(C)c1 7374127 BTENQHICBYPQQY-FPOVZHCZSA-N 370.518 3.608 0 40 FHAB CN(CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccc2c(c1)OCO2 7639111 PEEKLLCENCNQNO-UHFFFAOYSA-N 366.339 3.505 0 40 FHAB C[C@H]1C[C@@H](C)CN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 7811229 SFDKTGSMFOUREQ-MJBXVCDLSA-N 353.304 3.604 0 40 FHAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccc2ccccc2c1 7967908 WARXGGGUYFBZDI-UHFFFAOYSA-N 362.429 3.949 0 40 FHAB COc1ccc(-c2n[nH]c(NC(=O)c3ccc(C(F)(F)F)cc3)n2)cc1 8115894 ZBMGTPRBHUDODN-UHFFFAOYSA-N 362.311 3.751 0 40 FHAB O=C(c1ccco1)n1nc(-c2cccs2)nc1NCc1ccccc1 9667634 AMTWXMRNNPQZOT-UHFFFAOYSA-N 350.403 3.900 0 40 FHAB O=C(NCc1ncc(-c2ccccc2)o1)Nc1ccc2c(c1)OCCCO2 70016861 BNEHUBHNHIXGNW-UHFFFAOYSA-N 365.389 3.825 0 40 FHAB O=C(COc1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1)c1ccccc1 18241533 BEUONSLXYGXPFM-KDURUIRLSA-N 363.413 3.628 0 40 FHAB CCCCN1CC(F)(F)C[C@]2(CCCN(Cc3cccc(C)n3)C2=O)C1 306142422 WZBUVIPOGCZBOU-LJQANCHMSA-N 365.468 3.640 0 40 FHAB C[C@@H](C(=O)N1CCN([C@H](C)c2cccnc2)CC1)c1cc2ccccc2o1 176397457 MLHYGESMPBWNMS-IAGOWNOFSA-N 363.461 3.837 0 40 FHAB O=C(CN1C(=O)S/C(=C/c2cccnc2)C1=O)c1ccc(Cl)cc1 409321591 IKAQTBIVBDCPIR-OVCLIPMQSA-N 358.806 3.654 0 40 FHAB O=C([C@H]1C[C@@H]1c1ccccc1)N1CCN(Cc2c(F)cccc2Cl)CC1 27931307 QEOIKPMNXGVBLM-SJORKVTESA-N 372.871 3.927 0 40 FHAB O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cnn(-c2ccccc2)c1 519993977 FXIQCWFOSQOTGH-UHFFFAOYSA-N 367.352 3.692 0 40 FHAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1cccc2cn[nH]c12 32752968 LIQPCRXCKCGRNM-UHFFFAOYSA-N 370.840 3.626 0 40 FHAB Cc1ccc(Cc2cccc([C@@H]3CCCN3C(=O)CN3CCCC3)n2)cc1 72358042 JKPUHHBSVDVDIR-QFIPXVFZSA-N 363.505 3.740 0 40 FHAB Cn1nccc1C1CCN(C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)CC1 187450981 ICXLNJPYHXOVBB-QUCCMNQESA-N 366.509 3.721 0 40 FHAB C=CC(=O)Nc1ccc(C(=O)N2CCSC[C@@H]2c2cccs2)cc1 72547372 GRGXNXNMNYLDNW-OAHLLOKOSA-N 358.488 3.803 0 40 FHAB CC[Si](CC)(CC)c1c(F)ncc(I)c1F 217337247 NRDDGTXZEFABAX-UHFFFAOYSA-N 355.242 3.680 0 40 FHAB CCOC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc2ccccc2c1 225048973 ZHDZOHXVICQEOD-UHFFFAOYSA-N 369.442 3.842 0 40 FHAB CCn1c(=O)sc2cc(NC(=O)Cc3ccc(OC)c(C)c3)ccc21 225123347 HGXNFZUEFCTXRG-UHFFFAOYSA-N 356.447 3.581 0 40 FHAB CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(OC)cc1 224850783 IPIBTJGDWJHQAX-UHFFFAOYSA-N 370.268 3.673 0 40 FHAB CN(c1cc(C(=O)Nc2ccccc2Cl)ccc1Cl)S(C)(=O)=O 225973275 AEPXXXKJXDSDDS-UHFFFAOYSA-N 373.261 3.642 0 40 FHAB CC1(C)[C@H]2C[C@H]3OB(B4O[C@@H]5C[C@H]6C[C@H](C6(C)C)[C@]5(C)O4)O[C@@]3(C)[C@@H]1C2 195759097 VNEZFUGEQURPEN-VGDIZKAKSA-N 358.096 3.521 0 40 FHAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Br)s1 222769452 LNEWKZAFBQKQGQ-CHWSQXEVSA-N 368.325 3.898 0 40 FHAB Cc1ccc(NC(=S)NCc2ccc(CN3CCCC3=O)cc2)c(C)c1 225647918 KVKNYEYKKMHUEC-UHFFFAOYSA-N 367.518 3.912 0 40 FHAB CC(C)(C)OC(=O)N1CC[C@@H](NCCc2ccc(Br)cc2)C1 89223462 MQPWFPMDVIEVLT-OAHLLOKOSA-N 369.303 3.591 0 40 FHAB Cc1cnc([C@H](C)S(=O)(=O)c2nccn2-c2ccc(C(C)C)cc2)o1 579077046 GPIOEXOWHNJVHA-AWEZNQCLSA-N 359.451 3.827 0 40 FHAB O=C(Cc1coc2ccccc12)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 585081676 GECSIHHIQBNHBP-CQSZACIVSA-N 370.399 3.896 0 40 FHAB C[C@H](NC(=O)Nc1ccc2c(c1)COC2)[C@@H]1CCN(Cc2ccccc2)C1 376823527 PLZXBKPWLRYIOO-FUHWJXTLSA-N 365.477 3.749 0 40 FHAB COCC1(C2CCC2)CN(C(=O)N[C@H](C)[C@@H]2CCCc3ccccc32)C1 1615556433 XFJNOKAZMZQOMH-APWZRJJASA-N 356.510 3.953 0 40 FHAB CCc1ccc(-c2n[nH]c(S[C@H]3CCN(c4ccccc4)C3=O)n2)cc1 1656066560 DFJVLCBFBNOPTO-KRWDZBQOSA-N 364.474 3.932 0 40 FHAB CCN(C(=O)c1cnn2cccc(Cl)c12)[C@H](COC)Cc1ccccc1 1137207653 SIIGFPPQIBUPAC-INIZCTEOSA-N 371.868 3.708 0 40 FHAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(Cc2ccc(C)s2)C3)n1 585104943 MQQOKMSDBSZFNB-GOSISDBHSA-N 358.507 3.710 0 40 FHAB C[C@@H](NC(=O)c1cccs1)C(=O)N[C@H](c1cccs1)C1CCCC1 32397433 FNZMSJHZYWYSQV-WBMJQRKESA-N 362.520 3.976 0 40 FHAB CC1(C)C[C@@H]2CN(C(=O)Cc3ccccn3)CC[C@@H]2N1c1cccc(F)c1 1615125752 GYHTXAVQYSPEIH-UZLBHIALSA-N 367.468 3.669 0 40 FHAB O[C@@H](CCCCCCCC[C@H](O)CN1CCCCC1)CN1CCCCC1 5566880 KSBMOZRBGBWYTL-VXKWHMMOSA-N 368.606 3.801 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3)o2)c(C)c1 12249398 ANBRFRBSVSAAPV-UHFFFAOYSA-N 369.446 3.996 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)NCc3ccccc3)C2)c(C)c1 15935938 HNWPLWDSRSAKSO-LJQANCHMSA-N 365.477 3.864 0 40 FHAB COc1c(Br)cc(/C=C(\C)[N+](=O)[O-])cc1Br 17060961 JJHATOUUUFAMNV-ZZXKWVIFSA-N 350.994 3.858 0 40 FHAB CC(C)c1nc(C2CCN(C(=O)C3CC3)CC2)ncc1-c1ccncc1 19451536 ANIBHUSIEOAGGI-UHFFFAOYSA-N 350.466 3.778 0 40 FHAB CCCNC(=O)c1cc([C@H]2CCCN(Cc3ccccc3Cl)C2)no1 19503712 HFHRPVHQUFIMAJ-HNNXBMFYSA-N 361.873 3.847 0 40 FHAB CCN1c2ccc(-c3cncn3CCc3c(C)nn(C)c3C)cc2C[C@@H]1C 19719453 HINKKLRDFAHFER-HNNXBMFYSA-N 363.509 3.914 0 40 FHAB CCc1ccccc1NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O 19937602 OXIXZJNCGHXIRK-UHFFFAOYSA-N 367.836 3.834 0 40 FHAB O=C1CO[C@]2(CCCN(Cc3cccs3)CC2)CN1c1ccc(F)cc1 2037840622 OWAPTKYUSRTCCZ-FQEVSTJZSA-N 374.481 3.675 0 40 FHAB CCc1ccc(C(=O)N2CCC(O)(COc3ccc(C)c(C)c3)CC2)cc1 2037916027 ISRPDIHPKJEAGC-UHFFFAOYSA-N 367.489 3.912 0 40 FHAB c1cc2sc(N3CCC(COc4cc(C5CC5)ncn4)CC3)nc2cn1 1565519331 LHYMOGWEWMKNFW-UHFFFAOYSA-N 367.478 3.654 0 40 FHAB CCOc1cccc2cc(-c3nc(-c4ccc(OC)cc4)no3)c(=O)oc12 6868015 FZZHVSORXLKALI-UHFFFAOYSA-N 364.357 3.917 0 40 FHAB Cc1cc(C(=O)N(Cc2ccccn2)c2nc3c(F)cccc3s2)no1 9206356 VMDSBXYLMJPPSE-UHFFFAOYSA-N 368.393 3.974 0 40 FHAB Cc1cc(C)c2c(C)c(C(=O)Nc3ccc4c(c3)NC(=O)CO4)oc2c1 27662343 SCMXPQBGLBTPOJ-UHFFFAOYSA-N 350.374 3.941 0 40 FHAB COc1ccc(-c2nc(C(=O)Nc3ccc(N(C)C)nc3)cs2)cc1 30117829 FHDIABWWCQEHRE-UHFFFAOYSA-N 354.435 3.532 0 40 FHAB CN(C)C(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)C2CCCCC2)CC1 40134263 PVFPOYWQPBIBJA-FQEVSTJZSA-N 371.525 3.818 0 40 FHAB COC(=O)c1cnc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)s1 40131966 KSAQPWVYJHBZLS-MRXNPFEDSA-N 368.414 3.689 0 40 FHAB CCCCc1oc2ccccc2c1CN(C)S(=O)(=O)N(C)C(C)C 40105628 HLUOKRRNUMTPJX-UHFFFAOYSA-N 352.500 3.792 0 40 FHAB COc1ccc(CC(=O)N2CC[C@H](C)c3ccccc32)c(OC)c1OC 31782012 JMAQDIVKIGQCHF-AWEZNQCLSA-N 355.434 3.795 0 40 FHAB O=C(NCc1ccccn1)c1cc(-c2ccccn2)nc2cc(F)ccc12 31819198 JYIUBQZNROSKGS-UHFFFAOYSA-N 358.376 3.761 0 40 FHAB COc1cccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)c1 51364447 ADXUJJLNBZLAMT-GOSISDBHSA-N 360.413 3.854 0 40 FHAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H](C(=O)O)C(C)C 20733577 QUDIDMHJKWADJR-LBPRGKRZSA-N 352.843 3.611 0 40 FHAB O=C(CCOc1ccc(F)cc1F)N[C@@H]1CCCOc2ccc(F)cc21 53369984 MPUQZAWQZOLECY-MRXNPFEDSA-N 365.351 3.903 0 40 FHAB CC(C)Oc1ccc(N2C[C@H](C(=O)Nc3ccc(F)cc3)CC2=O)cc1 810433 IQJVNZBCXJEBLX-CQSZACIVSA-N 356.397 3.605 0 40 FHAB CC(C)NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2 865738 FOFUNFQXOZNCSI-CABZTGNLSA-N 358.389 3.743 0 40 FHAB CC1(C)[C@]2(C(=O)Nc3ccccc3Br)CC[C@@]1(C)C(=O)O2 1170985 UMKUNFLYVYUETK-JKSUJKDBSA-N 352.228 3.510 0 40 FHAB Cc1cc(C(=O)Nc2ccccc2C(=O)O)ccc1NC(=O)CC(C)C 1216993 QPWBGVYRRFIFCO-UHFFFAOYSA-N 354.406 3.930 0 40 FHAB N#CC(C#N)=C1C(=O)N(Cc2ccccc2Br)c2ccccc21 1320728 JCSYBKQBGKFWFE-UHFFFAOYSA-N 364.202 3.797 0 40 FHAB COc1ccc(NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 1336642 GQLSSUCDANVWMP-UHFFFAOYSA-N 356.397 3.961 0 40 FHAB CCCCNc1ccccc1C(=O)OCC(=O)NCc1ccc(F)cc1 2653257 CQFRHFCARRWBIW-UHFFFAOYSA-N 358.413 3.511 0 40 FHAB O=C(OCC(=O)N1CCCC1)c1cc(-c2cccs2)nc2ccccc12 2665111 CNDXCFPAHAIUOB-UHFFFAOYSA-N 366.442 3.743 0 40 FHAB Cc1nn(C)cc1-c1ccnc2c3c(C4CC4)cc(C(F)(F)F)nc3nn12 2787674 MWQPBTUXAZHXTR-UHFFFAOYSA-N 372.354 3.883 0 40 FHAB CC(=O)Oc1ccc2c(=O)c(-c3ccc(F)cc3)c(C)oc2c1OC(C)=O 3187018 TVELOKBSQHCODA-UHFFFAOYSA-N 370.332 3.758 0 40 FHAB C[C@@H](OC(=O)c1ccc(O)cc1)C(=O)Nc1cccc(Cl)c1Cl 3284358 YOWVOMMLIKFOON-SECBINFHSA-N 354.189 3.883 0 40 FHAB Cc1cc(C)c(N2C(=O)[C@H]3[C@@H]4C(=O)C[C@@H](c5ccccc54)[C@@H]3C2=O)c(C)c1 4459298 VWJPUFXKYFMOKC-LEAZDLGRSA-N 359.425 3.571 0 40 FHAB CCOc1cccc(C(=O)Nc2ccc(I)cc2)c1 4689064 XBPQGHBPPDQXMA-UHFFFAOYSA-N 367.186 3.942 0 40 FHAB CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C=CC2=C(O)C(=O)C(=O)[C@]21C 5497028 KIAKLFLISZCITK-PPAUHQMUSA-N 358.478 3.746 0 40 FHAB biogenic,in-vivo CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1F 6022869 HIRBTVRKFZHOML-KRWDZBQOSA-N 358.413 3.900 0 40 FHAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3cccc(C)c3)n2)cc1 6141935 PWAOTSWPEOEOCQ-UHFFFAOYSA-N 354.435 3.520 0 40 FHAB CC(C)c1ccc(-c2noc(Cn3ncc(Cl)c(Cl)c3=O)n2)cc1 6589967 PZWZECJQZMVROJ-UHFFFAOYSA-N 365.220 3.772 0 40 FHAB CC(C)[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)Nc1nccs1 6607674 KKTTWPJVMSSTNU-GOSISDBHSA-N 367.474 3.618 0 40 FHAB Cc1cc(C)n2nc(S[C@@H](C)c3nnc(-c4cccs4)o3)nc2n1 6842585 RHZYADFIPYGSPB-JTQLQIEISA-N 358.452 3.706 0 40 FHAB O=C(/C=C/c1cccc(Cl)c1)OCC(=O)c1ccc2c(c1)OCCO2 6888807 CNHTVBNQXCTYEQ-QPJJXVBHSA-N 358.777 3.551 0 40 FHAB CCOc1ccc2oc(C(=O)OCC(=O)N3CCCCCC3)c(C)c2c1 7205597 PUUCLCLKXPZCJR-UHFFFAOYSA-N 359.422 3.699 0 40 FHAB CCOC(=O)[C@H]1CCCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 7436445 QYNVFLZSLOSVSD-RYUDHWBXSA-N 373.280 3.596 0 40 FHAB NC(=O)c1c(NC(=O)c2ccc(C(F)(F)F)cc2)sc2c1CCCC2 7485896 DVVGODOFEJJQBD-UHFFFAOYSA-N 368.380 3.997 0 40 FHAB COCCn1c([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 7542713 GTAQUZCHWGALLF-CQSZACIVSA-N 369.852 3.857 0 40 FHAB C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 8036846 HVXAEFNJTNWBQX-GFCCVEGCSA-N 365.351 3.897 0 40 FHAB CCc1ccc(/C=C2\SC(=O)N(CC(=O)N(C(C)C)C(C)C)C2=O)cc1 8083580 OBAKZBDSMUFJJC-BOPFTXTBSA-N 374.506 3.931 0 40 FHAB Cc1ccc(Cn2nc(C)c3cc(C(=O)NC[C@H]4CCCO4)sc32)cc1 8265722 KETXIUUQEDNWEL-MRXNPFEDSA-N 369.490 3.672 0 40 FHAB O=C(Cc1ccccc1)Nc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1 8470165 LVOIRAVQQOXMBF-UHFFFAOYSA-N 374.396 3.818 0 40 FHAB C[C@@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccccn1 8707375 ZTPABQPRYVVUOB-CYBMUJFWSA-N 351.431 3.886 0 40 FHAB O=C(CNc1ncnc2sccc12)Nc1ccccc1Br 9313519 MHLBMYWHNMUARU-UHFFFAOYSA-N 363.240 3.504 0 40 FHAB O=C(Cc1csc(-c2cccc(F)c2)n1)NCc1ccc2c(c1)OCO2 9364738 INYUNMKIDWLSEB-UHFFFAOYSA-N 370.405 3.537 0 40 FHAB COc1cccc(-c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)c1OC 9453388 GQNIDPWTTKCXHC-UHFFFAOYSA-N 368.414 3.825 0 40 FHAB O=C1CCCN1c1ccc(OCC(=O)N2CCC[C@H]2c2ccccc2)cc1 9958448 YZXLORYQBBSEMT-FQEVSTJZSA-N 364.445 3.556 0 40 FHAB Cc1ccc(N(CCCC(=O)Nc2ccccc2C)S(C)(=O)=O)cc1C 10334707 GPVYDZCWTIUZGX-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)NCC2(c3ccccc3)CCCC2)cc1 10667895 VXXYPNGAIOYXTI-UHFFFAOYSA-N 357.475 3.680 0 40 FHAB Cc1csc([C@@H](Cc2cccs2)NC(=O)CCCn2ccnc2)n1 12087876 WEUQIZYQXLPAQS-OAHLLOKOSA-N 360.508 3.590 0 40 FHAB CC(=O)c1sc(C2CCN(C(=O)c3cc(C4CC4)on3)CC2)nc1C 12186182 BAGGYHNOHWLNCP-UHFFFAOYSA-N 359.451 3.539 0 40 FHAB Cc1cc2oc(C(=O)NCCCN3C[C@@H](C)C[C@@H](C)C3)cc(=O)c2cc1C 12205114 VIAKKOUCRUKDOC-GASCZTMLSA-N 370.493 3.508 0 40 FHAB COc1cccc([C@@H](NC(=O)Nc2ccc(F)cc2F)c2nccn2C)c1 12604487 VETNAHRKXCGKBT-QGZVFWFLSA-N 372.375 3.618 0 40 FHAB Cc1ccc([C@]2(C)NC(=O)N(Cc3cc(-c4cccs4)on3)C2=O)cc1 12867839 LPYCARMUUGCXMM-IBGZPJMESA-N 367.430 3.679 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)COc1ccc(F)c2c1C(=O)C[C@@H]2C 12903994 JZKDQOMYSJJDKV-QWHCGFSZSA-N 371.408 3.780 0 40 FHAB COC(=O)c1cccnc1N1CCC(c2nc3ccccc3s2)CC1 12983077 DHBKVCDKYNWKEA-UHFFFAOYSA-N 353.447 3.862 0 40 FHAB Cc1cc(-c2cc(=O)n(Cc3ccc(F)cc3)nc2-c2ccco2)on1 13226232 BQFRLQFZQVRGLH-UHFFFAOYSA-N 351.337 3.654 0 40 FHAB CCOc1cc2c(cc1NC(=O)c1ccc(OC)c(OC)c1)O[C@H](C)C2 14019884 UEHJKQSZZQFTBX-GFCCVEGCSA-N 357.406 3.678 0 40 FHAB CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(C)s3)cc21 17247989 WTHSGPZQYHCDSF-UHFFFAOYSA-N 364.492 3.547 0 40 FHAB Cc1ccc(NC(=O)CSCC(=O)Nc2cc(F)cc(F)c2)cc1 18254412 MKDJBYYYMZMUEU-UHFFFAOYSA-N 350.390 3.584 0 40 FHAB O=C(NCCc1ccc(C(F)(F)F)cc1)[C@@H]1CCN1C1CCCCC1 19660115 SMHRNQRLPHTDOM-KRWDZBQOSA-N 354.416 3.771 0 40 FHAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c1 19683067 ZPAXSMSUYBQUIC-QGZVFWFLSA-N 368.477 3.948 0 40 FHAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1 20029840 DAIDZLHIFGRTNF-UHFFFAOYSA-N 363.332 3.962 0 40 FHAB CCS(=O)(=O)N1c2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2C[C@H]1C 20448988 GQRPWDWVQQQKEI-OAHLLOKOSA-N 372.490 3.656 0 40 FHAB COc1cc(CCC(=O)NC[C@@H](C)c2ccccc2)cc(OC)c1OC 21905878 DTNPOJZPOHFICK-OAHLLOKOSA-N 357.450 3.565 0 40 FHAB CCN1CCc2nc(NC(=O)c3cc4ccccc4cc3OC)sc2C1 22699004 SBDCVFPAFBKKQJ-UHFFFAOYSA-N 367.474 3.935 0 40 FHAB Cc1ccc(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 24748657 JNTFJRKLBMUPFR-UHFFFAOYSA-N 358.441 3.746 0 40 FHAB CC(=O)Nc1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)ccc1F 25510029 CBBUDLWSZHHIHI-UHFFFAOYSA-N 350.415 3.708 0 40 FHAB Cc1noc(CSc2ccccc2C(=O)NCCc2ccccc2F)n1 25928675 KRADPKJUVALSSF-UHFFFAOYSA-N 371.437 3.782 0 40 FHAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)N[C@H]1CCCc2ccccc21 26565118 IAAQLLYEYWNFMN-SFHVURJKSA-N 365.429 3.615 0 40 FHAB CCCOc1ccccc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 27664144 KOVDISXPUVMOCI-UHFFFAOYSA-N 365.433 3.526 0 40 FHAB CCOc1ccc(C(=O)Nc2cnn(Cc3cccc(OC)c3)c2)cc1 28230938 WOSUZLDHSNEJAE-UHFFFAOYSA-N 351.406 3.591 0 40 FHAB COc1ccc(SCC(=O)NCCSC2CCCCC2)cc1OC 30852449 BOWOWWLMSQVBMF-UHFFFAOYSA-N 369.552 3.978 0 40 FHAB C[C@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)c2ccccc21 31780908 GREVSENSXIYJEE-JKSUJKDBSA-N 352.434 3.672 0 40 FHAB C[C@@H](NC(=O)[C@@H](C)n1cnc2ccccc21)c1ccc(-n2ccnc2)cc1 31813610 UOXZDLUXBYVAJS-HZPDHXFCSA-N 359.433 3.660 0 40 FHAB CC(=O)Nc1ccc(SC[C@H](O)COCc2ccc(Cl)cc2)cc1 32751041 ICPGQUHTBGBBII-QGZVFWFLSA-N 365.882 3.968 0 40 FHAB Cc1cccc(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)n1 32909246 DAVLEZBGKGNVNW-UHFFFAOYSA-N 354.479 3.962 0 40 FHAB Cc1cc(C)nc(SCC(=O)Nc2cccc(-c3ccnc(C)n3)c2)n1 33124143 OAIPKTMZWRCXAG-UHFFFAOYSA-N 365.462 3.590 0 40 FHAB O=C(CCCn1sc2ccccc2c1=O)Nc1cc(Cl)ccc1O 36357718 PDHQVIZRGIJURQ-UHFFFAOYSA-N 362.838 3.841 0 40 FHAB O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)N=C(O)CS2 36360423 IKOXIIPIPBKDGK-UHFFFAOYSA-N 354.840 3.835 0 40 FHAB Cc1ccc(C)c(NC(=S)NCc2ccccc2CN2CCOCC2)c1 38229614 GAFBJDUARWOUAN-UHFFFAOYSA-N 369.534 3.622 0 40 FHAB COc1ccc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)c(OC)c1 39857475 AVAVUQLPZBRKAV-YVLHZVERSA-N 371.414 3.953 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)Nc1cc2c(cc1Br)OCCO2 40023803 YRAXTGJJMJJPSH-ZYHUDNBSSA-N 369.259 3.921 0 40 FHAB COc1cccc([C@H](CNc2nn3cc(C(C)(C)C)nc3s2)N(C)C)c1 40051240 HSHKCYJUWVATNY-HNNXBMFYSA-N 373.526 3.812 0 40 FHAB Cc1cnc(C(=O)Nc2ccc3[nH]c(Cc4ccccc4F)nc3c2)cn1 40150146 GNFYWNPFRTXGEI-UHFFFAOYSA-N 361.380 3.644 0 40 FHAB Cc1ccc(CN(CCN(C)C)C(=O)Nc2ccccc2N2CCCC2)o1 40152261 JJKAYVKWHVSYFA-UHFFFAOYSA-N 370.497 3.784 0 40 FHAB CC(C)(C)n1nc(C(=O)Oc2ccc(N3CCCC3=O)cc2)cc1C1CC1 42712601 YNQDRYZUNCLGHN-UHFFFAOYSA-N 367.449 3.862 0 40 FHAB O=C(NCCCn1ccnc1)c1ccc(CN2CCCc3ccccc32)cc1 44843217 KTBGSWPZQFOVDL-UHFFFAOYSA-N 374.488 3.656 0 40 FHAB Cc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1C 44880413 YCZABFHFEKEWST-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB Cc1ccc(C)c(NC(=S)NCc2ccccc2CN2CCCC2=O)c1 45704362 PUVZXQPKWMQGHE-UHFFFAOYSA-N 367.518 3.912 0 40 FHAB Cn1cc(CC(=O)Nc2cccc(N3CCCCC3=O)c2)c2ccccc21 49505622 NMMFFBZXFXFZCO-UHFFFAOYSA-N 361.445 3.876 0 40 FHAB CS(=O)(=O)c1ccccc1NC(=O)N[C@H]1CCc2cc(Cl)ccc21 56596338 NPPXHTKHMDPKHA-AWEZNQCLSA-N 364.854 3.553 0 40 FHAB C[C@@]1(c2ccsc2)NC(=O)N(Cc2coc(-c3ccc(F)cc3)n2)C1=O 58181407 WOCVJDJBFVBQAH-SFHVURJKSA-N 371.393 3.509 0 40 FHAB COc1ccc(NC(=O)N(Cc2cccc(O)c2)C2CCC(O)CC2)cc1 58183937 KCIVLNCTRFBRPQ-UHFFFAOYSA-N 370.449 3.738 0 40 FHAB C[C@@](O)(CCc1ccccc1)CNC(=O)c1ccc(Br)cc1 61975755 ZPCNGYNMLSWRTI-GOSISDBHSA-N 362.267 3.563 0 40 FHAB Cc1nc(-c2cccc(NC(=O)[C@H](C)OC[C@@H]3CCCCO3)c2)oc1C 69357498 UQNWLMIOXAWPIP-YJBOKZPZSA-N 358.438 3.871 0 40 FHAB CSc1nc(Cl)cc(NC2CCN(C(=O)OC(C)(C)C)CC2)n1 72203193 XGOHLXPYDWAAHS-UHFFFAOYSA-N 358.895 3.663 0 40 FHAB C[C@H](Sc1nnc(N2CCCC2)n1C1CC1)C(=O)c1ccc(F)cc1 78410838 NAFFISAVUSMICZ-LBPRGKRZSA-N 360.458 3.716 0 40 FHAB Cc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)n2)cc1 78579760 MJFZXVXBPVEQBF-MRXNPFEDSA-N 365.433 3.746 0 40 FHAB Cc1nc(-c2nc[nH]n2)sc1C(=O)O[C@@H](C)c1cnc2ccccc2c1 78874229 NIFDHCJRCQAPGM-NSHDSACASA-N 365.418 3.703 0 40 FHAB N[C@H](C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C(=O)O)cc1 85477427 JCXZNKVSMGYIGD-NRFANRHFSA-N 373.408 3.740 0 40 FHAB COc1cccc2c1CCCCN2CC(=O)N1CCC[C@H](C(F)(F)F)C1 89471547 XDXWAKPRPFGIEI-AWEZNQCLSA-N 370.415 3.639 0 40 FHAB CC(=O)Nc1cccc2c1ccn2CC(=O)NCCSc1ccccc1 96116719 BDNDOYOHCAKPHT-UHFFFAOYSA-N 367.474 3.508 0 40 FHAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccncc1)c1nc3ccccc3nc12 100270647 BBUMZSQRIUFVPK-FGZHOGPDSA-N 358.445 3.993 0 40 FHAB COc1cc(/C=C/C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc(OC)c1OC 107450086 MMMFYPLHQSTVKB-OUWRNTQTSA-N 359.466 3.667 0 40 FHAB CCOC(=O)C1(c2ccc(NC(=O)c3c(OC)cccc3OC)cc2)CC1 222957437 PVEZWDBTMLNRFC-UHFFFAOYSA-N 369.417 3.551 0 40 FHAB Cc1ccc(NC(=O)NCc2nccc(N3CCCCC3)n2)c(Cl)c1 224164299 DGAGBPSOXFXEGG-UHFFFAOYSA-N 359.861 3.750 0 40 FHAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225052963 XSVDELQUYRNSMC-MRXNPFEDSA-N 356.447 3.705 0 40 FHAB Cc1nccn1-c1ccccc1CNC(=S)Nc1ccc(F)cc1F 225450045 ZCBNTNRBIPGJFO-UHFFFAOYSA-N 358.417 3.946 0 40 FHAB CCCC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC 225618634 RZFHQTITCCAMIW-LJQANCHMSA-N 372.896 3.826 0 40 FHAB Nc1nc2c(Br)cc(NC(=O)Cc3ccccc3)cc2s1 226309164 VPNGOQUJFNPAIK-UHFFFAOYSA-N 362.252 3.822 0 40 FHAB COc1ccc(CCC(=O)NC[C@@H](OC)c2cc3ccccc3o2)cc1 244933173 CEXBCVKIIFOAFB-HXUWFJFHSA-N 353.418 3.878 0 40 FHAB COc1ccc(CN(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)C2CCN(C)CC2)cc1 248158939 WPTAPHDKNNHVOQ-AERCQKQUSA-N 356.510 3.554 0 40 FHAB NC[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252514279 BRRGQCIVCSWALV-PMPSAXMXSA-N 356.274 3.508 0 40 FHAB Cc1cc(Nc2cccc(C3CCN(C(=O)N4CCCCC4)CC3)n2)[nH]n1 257238706 HMDVGRZIMOMRCW-UHFFFAOYSA-N 368.485 3.642 0 40 FHAB Cc1cccc(CN2CCC(c3cncc(Nc4ncccn4)n3)CC2)c1 257328553 XGDZOZGKCXMKKO-UHFFFAOYSA-N 360.465 3.698 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1C 408626239 VEXDBQFGAITEGG-UHFFFAOYSA-N 356.806 3.547 0 40 FHAB COc1ccccc1OC(=O)[C@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 408650942 BXWAZVLKWFMHLY-ZDUSSCGKSA-N 359.809 3.616 0 40 FHAB CCC1=NN(C(=O)c2ccc(C(C)(C)C)cc2)[C@@](O)(c2ccncc2)C1 408751524 STOXXEGVBMNSBK-NRFANRHFSA-N 351.450 3.836 0 40 FHAB CCOc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1OC 409076479 ACGYXGWPJRCTCF-VBKFSLOCSA-N 374.506 3.826 0 40 FHAB CN(C)C(=O)c1cc(NC(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)ccn1 583602058 SVDZYDTVOBKIOB-SFHVURJKSA-N 364.449 3.543 0 40 FHAB COC(=O)c1ccc(C(=O)NC[C@@H](c2ccsc2)c2ccco2)cc1 618256849 MRNYKEFHJVRRIT-INIZCTEOSA-N 355.415 3.690 0 40 FHAB Cc1cc(CN)cc(NC(=O)NCC[C@@H]2CSc3ccccc3O2)c1 647478668 ZOKABTMMVIZBBE-MRXNPFEDSA-N 357.479 3.519 0 40 FHAB C=CC(=O)N(CC)CC(=O)N1CCC[C@@H](Cc2csc3ccccc23)C1 1632387228 KKIYUYZWQPIGON-INIZCTEOSA-N 370.518 3.717 0 40 FHAB COc1cccc(CN2CC[C@@H](Oc3ccncc3Br)C2)c1 1848580252 TTXMNXWEUDOEGB-OAHLLOKOSA-N 363.255 3.506 0 40 FHAB CC(C)c1nc2ccccc2n1C1CN(C(=O)c2ccc3nccnc3c2)C1 1888987374 ZAOOMEJBZPSWNE-UHFFFAOYSA-N 371.444 3.800 0 40 FHAB Fc1ccc(CN2CC[C@H]3[C@@H](COCCN3c3ccc(F)cc3)C2)cc1 2037981195 YVEZXVBYGCBNOX-UTKZUKDTSA-N 358.432 3.692 0 40 FHAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(C)cc3C)CC2=O)cc1 806770 NCLITRWNMIOUPD-MRXNPFEDSA-N 352.434 3.694 0 40 FHAB CC[C@@H](C)NC(=O)c1ccc2nc(NC(=O)c3ccc(N)cc3)sc2c1 911846 NFZRBVKLAVRZMO-LLVKDONJSA-N 368.462 3.659 0 40 FHAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccccc2)cc1 824282 MSSOWCUZLIXQAL-HNNXBMFYSA-N 358.463 3.502 0 40 FHAB C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(CCCC2CCCC2)CC1 78971047 KDFKYDUXOGKACT-QGZVFWFLSA-N 361.505 3.741 0 40 FHAB O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)c1ccc(F)cc1 3483560 YZAYNAZEARHIND-UHFFFAOYSA-N 367.332 3.711 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c1 3602502 GKQQYFIXSOWXTJ-UHFFFAOYSA-N 369.402 3.505 0 40 FHAB CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@H](c2cccc(C(F)(F)F)c2)C1 4241672 UOAPWTFROWHGSC-QWHCGFSZSA-N 359.344 3.741 0 40 FHAB O=S(=O)(Oc1cccc2cccnc12)c1cccc(OC(F)(F)F)c1 24228135 POIDIAGWYMQYED-UHFFFAOYSA-N 369.320 3.901 0 40 FHAB Fc1ccc(NC(=S)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccco2)cc1 4886368 VOSBFSUBVACZDG-ALOPSCKCSA-N 359.470 3.901 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 4950259 WYZCXOHCLOYOKR-OAHLLOKOSA-N 358.401 3.802 0 40 FHAB CCCCN1C(=O)S[C@H](Cc2ccc(OC)c(Br)c2)C1=O 6647708 NXCJVCJGXKKESF-CYBMUJFWSA-N 372.284 3.864 0 40 FHAB COc1ccc(C(=O)N[C@H](C)c2ccc(Br)cc2)cc1OC 7645586 JRZKMNAREGMXGV-LLVKDONJSA-N 364.239 3.957 0 40 FHAB O=C(CSc1nncs1)NCC1(c2ccc(F)cc2)CCCCC1 55455426 GPICTWOYBZXBKD-UHFFFAOYSA-N 365.499 3.788 0 40 FHAB c1ccc(COc2ccccc2CNC[C@@H]2COc3ccccc3O2)nc1 25311383 OJENBUBACYZADW-LJQANCHMSA-N 362.429 3.590 0 40 FHAB CN(C[C@H]1CCCOC1)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 107642939 FYBUHNXXDQCRKR-QGZVFWFLSA-N 367.493 3.775 0 40 FHAB O=C(COC(=O)c1ccc(O)cc1)Nc1cccc(Oc2ccccc2)c1 3278548 IFALEXWLQCHSSG-UHFFFAOYSA-N 363.369 3.980 0 40 FHAB Cc1ccc(-c2noc(-c3cccn3CC(=O)N3CCCC[C@H]3C)n2)cc1 57486848 IGPIDOZNVJNBOW-MRXNPFEDSA-N 364.449 3.915 0 40 FHAB O[C@H](c1ccc(F)cc1)C1CCN(Cc2cnn(-c3ccccc3)c2)CC1 108387562 GPHZJGNIWCEXKO-JOCHJYFZSA-N 365.452 3.957 0 40 FHAB Cc1ccc(-c2noc(CN3CCO[C@H](c4ccc(F)cc4)C3)n2)cc1F 48250422 HYFFOOMKQMNXGA-SFHVURJKSA-N 371.387 3.897 0 40 FHAB Cc1cccc(C)c1NC(=O)CNC(=O)NCCc1ccc(C(C)C)cc1 10257393 KZYJYXLNTOXSBK-UHFFFAOYSA-N 367.493 3.907 0 40 FHAB COc1cc(C)c(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1OC 12775945 PTFHUCVULWTVSD-UHFFFAOYSA-N 351.406 3.825 0 40 FHAB Cc1ccc(NC(=O)N2C[C@@H](CO)CC[C@H]2C)c(OCC(F)(F)F)c1 95431767 SRHNKIBEVDWKPO-OLZOCXBDSA-N 360.376 3.561 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2)N1c1ccccn1 2245959 GIRYGRPCVLYOSO-LJQANCHMSA-N 354.365 3.938 0 40 FHAB CC[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc(OC)c(Cl)c1 27978548 DADRSBAGQIUKJZ-AWEZNQCLSA-N 363.797 3.873 0 40 FHAB Cc1ccc(N2C(=O)C[C@@H](Nc3ccccc3Br)C2=O)cc1 101275162 WKMRGUQYQBVMFC-OAHLLOKOSA-N 359.223 3.502 0 40 FHAB Cc1cc(OCn2ccc(C(=O)NCc3ccco3)n2)cc(C)c1Cl 27972832 JHEKVMFWKVLHKR-UHFFFAOYSA-N 359.813 3.713 0 40 FHAB C[C@@H]1Sc2ccc(C(=O)NCC3(c4ccccc4)CC3)cc2NC1=O 11749520 NHVHQTCIHMEXEB-ZDUSSCGKSA-N 352.459 3.581 0 40 FHAB C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1)c1cccc(OC(F)F)c1 46035951 AAFALNHPGTWHSP-LLVKDONJSA-N 359.369 3.608 0 40 FHAB COc1ccc(OC)c(NC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c1 28219975 LCKLICJSYAIWJR-UHFFFAOYSA-N 370.384 3.981 0 40 FHAB Cc1ccc(NCCN2C(=O)S[C@@H](Nc3ccc(F)cc3)C2=O)cc1 12136865 DKOUSEHZLCRJDC-MRXNPFEDSA-N 359.426 3.680 0 40 FHAB O=C(CSc1nc(C2CCCC2)n[nH]1)Nc1cc(Cl)ccc1F 12104069 PKHUCMWMLWGACT-UHFFFAOYSA-N 354.838 3.986 0 40 FHAB Fc1ccc(CCNCc2nc(-c3ccccc3OC(F)F)no2)cc1 25573013 WIBVCZZXWLSQIN-UHFFFAOYSA-N 363.339 3.809 0 40 FHAB COc1cc(C(=O)NCc2ccccc2)ccc1OCc1c(C)noc1C 12882741 IVFZZRNLIWARIP-UHFFFAOYSA-N 366.417 3.809 0 40 FHAB O=C(O)Cc1csc(NC(=O)Cc2ccc(-c3ccccc3)cc2)n1 12941095 NVQOKHPDKYLHKA-UHFFFAOYSA-N 352.415 3.618 0 40 FHAB COc1ccc(CCc2nnc(NC(=O)Cc3ccc(F)cc3)s2)cc1 9095466 HCFWQIPJLCLLCY-UHFFFAOYSA-N 371.437 3.652 0 40 FHAB COc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2)cc1Cl 3619228 LNMXBMHORPMIBX-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB Cc1nc(C(=O)O[C@@H](C)C(=O)c2ccccc2)nn1-c1ccc(Cl)cc1 13021132 NCUXRQZATGMNHR-LBPRGKRZSA-N 369.808 3.657 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)CN(C)Cc2ccc(OCC)cc2)c1C 13135213 OTRSAGRDTSTTOP-UHFFFAOYSA-N 372.465 3.522 0 40 FHAB COc1ccc(/C=C/C(=O)n2nc(C)c3c2C[C@@H]2[C@H]3C2(C)C)c(OC)c1 4039766 HDECDSQRXVXTEG-APNNGBSVSA-N 352.434 3.858 0 40 FHAB biogenic COc1ccc(OC)c(-c2c(C)c3cc(OC(C)=O)ccc3oc2=O)c1 4084896 JXHFIXQKGFODMQ-UHFFFAOYSA-N 354.358 3.711 0 40 FHAB biogenic CCN(Cc1nc(-c2cccs2)no1)C(=O)/C=C/c1ccc(OC)cc1 95482208 OVWBHSWJRXXPNW-DHZHZOJOSA-N 369.446 3.869 0 40 FHAB COc1ccccc1-c1cc(CSc2nc3nc(C)cc(C)n3n2)on1 14137946 BMZZMGQUXQOHOU-UHFFFAOYSA-N 367.434 3.697 0 40 FHAB CC1=C(C(=O)OCC(C)C)[C@H](c2cccs2)N2C(=O)[C@@H](C)SC2=N1 6454971 GCMKKOVMTIAZBL-RISCZKNCSA-N 364.492 3.596 0 40 FHAB COc1cc(NC(=O)COc2ccc(C)cc2C)ccc1NC(=O)C(C)C 4554781 DLOPZMGXWJQSGI-UHFFFAOYSA-N 370.449 3.924 0 40 FHAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC)cc2OC)N3)C1 4556123 RMTAUJSDTJNFSB-KRWDZBQOSA-N 373.478 3.572 0 40 FHAB CCOC(=O)CC1=CC(=O)N(Cc2ccc(C)cc2)c2ccccc2N1 64661166 DSGITXRRMSXMNK-UHFFFAOYSA-N 350.418 3.791 0 40 FHAB CCN(CC)C(=O)CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 6636631 AUAHCGIAZYEAQD-OAQYLSRUSA-N 361.445 3.582 0 40 FHAB C[C@@H]1CN(C(=O)[C@@H](C)Nc2ccc(Oc3ccccc3)cc2)C[C@@H](C)O1 5688005 MCCUSHKWPJUIFZ-BRWVUGGUSA-N 354.450 3.915 0 40 FHAB Cc1cc(=O)n2nc(C(F)(F)F)n(CCOc3cccc(Cl)c3)c2c1 9384539 XPBGQJOZFYQSNQ-UHFFFAOYSA-N 371.746 3.556 0 40 FHAB CCN(CC)C(=O)c1ccc(NC(=O)CNc2ccc(C)cc2F)cc1 15319353 QBFMCYYSOFXACL-UHFFFAOYSA-N 357.429 3.667 0 40 FHAB COc1ccccc1N1CC(=O)N(c2ccccc2)[C@H](c2ccccc2)C1=O 15412486 CAFYZGPCMZSNDZ-JOCHJYFZSA-N 372.424 3.816 0 40 FHAB NC(=O)c1ccc(CSc2nnc(Nc3cccc(F)c3)s2)cc1 9455657 FFJOWKFHYGKLMX-UHFFFAOYSA-N 360.439 3.812 0 40 FHAB CC1CCN(C(=O)[C@@H](C)Sc2nnc3c(Cl)cc(Cl)cn23)CC1 9479920 NZEWJDICKBBGCV-SNVBAGLBSA-N 373.309 3.775 0 40 FHAB CCc1cc2c(SCC(=O)c3ccc4c(c3)OCCO4)ncnc2s1 7737934 WCHWXZPONIWQBW-UHFFFAOYSA-N 372.471 4.000 0 40 FHAB Cc1cc(-c2nnc(SCc3cccc(Br)c3)o2)nn1C 28579049 LRWHOARKFUWICP-UHFFFAOYSA-N 365.256 3.833 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ncnc3c2oc2ccccc23)cc1C 8183622 LWRVPCVMDIUPDJ-UHFFFAOYSA-N 353.403 3.794 0 40 FHAB Cc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)nnn1-c1ccccc1 8715132 XQRHDJKZEARBRT-UHFFFAOYSA-N 362.311 3.727 0 40 FHAB CN(c1ccccc1)C1CCN(C(=O)c2cnc([C@H]3CCCO3)s2)CC1 89758870 PNBFWJWAFWBEEZ-QGZVFWFLSA-N 371.506 3.736 0 40 FHAB O=C(CN1CCCC1)N1N=C(c2ccco2)C[C@H]1c1cccc(Cl)c1 97165244 NSAKXFRAHZRORK-KRWDZBQOSA-N 357.841 3.707 0 40 FHAB Cc1noc(C)c1COc1ccccc1C(=O)NC[C@](C)(O)CCC(C)C 72304325 JIBCFDDVJYGJRJ-OAQYLSRUSA-N 374.481 3.787 0 40 FHAB Cc1ccc([C@H]2CCC[C@@H]2OC(=O)C2CCN(c3cnccn3)CC2)cc1 95963146 KQHBLNZXJKMEJZ-UXHICEINSA-N 365.477 3.881 0 40 FHAB CS(=O)(=O)N1N=C(c2ccsc2)C[C@@H]1c1ccc(Cl)c(F)c1 95945212 UKPVSCRCFNILHU-CQSZACIVSA-N 358.847 3.651 0 40 FHAB Cn1cc(CN2CCC[C@@H]2c2cccc(Cc3cccc(F)c3)n2)cn1 72358126 PGTGUYPLEWASDS-OAQYLSRUSA-N 350.441 3.882 0 40 FHAB O=C1N/C(=C/c2ccc(Br)cc2)C(=O)N1Cc1ccccc1 409197232 ZJVZYICDJBZCPS-XNTDXEJSSA-N 357.207 3.542 0 40 FHAB O=C(CSCc1ccccc1Cl)N1CCN(Cc2ccccc2)CC1 20238024 ODVSELGHBKMFIH-UHFFFAOYSA-N 374.937 3.918 0 40 FHAB O=C(O)c1nsc2c1N=C(O)C[C@H]2c1ccc(Br)cc1F 71285812 UKMMYBRPJCJVLQ-ZETCQYMHSA-N 371.187 3.867 0 40 FHAB O=C(Cc1csc(-c2ccccn2)n1)N1CCCC[C@H]1c1cccnc1 524730964 DUKXBJGAENNUQT-SFHVURJKSA-N 364.474 3.896 0 40 FHAB biogenic COc1ccc(C(=O)Nn2c(CCC(=O)O)ccc2-c2ccccc2)cc1 408947070 NOWQGEOENMKKFM-UHFFFAOYSA-N 364.401 3.565 0 40 FHAB CSc1nc(Cl)cc(OCC2CCN(C(=O)OC(C)(C)C)CC2)n1 72203151 XFAMPROGSZELOU-UHFFFAOYSA-N 373.906 3.878 0 40 FHAB O=Cc1cn(CC(=O)Nc2nnc(-c3ccccc3)s2)c2ccccc12 408536127 YFSUBVOTLZFROU-UHFFFAOYSA-N 362.414 3.611 0 40 FHAB c1csc(-c2nc(NCCc3cnccn3)ncc2-c2ccncc2)c1 72396865 JEGWEMMGWRUOOV-UHFFFAOYSA-N 360.446 3.712 0 40 FHAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1nc(-c2ccccc2)no1 219032818 LIPCMTIXBZKVHX-OAHLLOKOSA-N 373.412 3.974 0 40 FHAB O=C(OCc1cc(-c2ccc(F)cc2F)on1)c1cc(-c2ccco2)n[nH]1 38767284 ZOHQIEMKQDHITD-UHFFFAOYSA-N 371.299 3.960 0 40 FHAB COc1ccccc1Cc1noc(C2CN(Cc3ccc(F)c(F)c3)C2)n1 77191378 FGORAGOUKLQUMZ-UHFFFAOYSA-N 371.387 3.547 0 40 FHAB COc1cccc(COC(=O)c2snnc2-c2ccc(F)cc2)c1OC 223842529 HWKWIEWERIFIHH-UHFFFAOYSA-N 374.393 3.718 0 40 FHAB COc1cccc(CN(C)S(=O)(=O)c2ccc(OC)c(C(C)C)c2)c1 223741026 ZQUKVCVWQWYBGO-UHFFFAOYSA-N 363.479 3.648 0 40 FHAB COc1ccccc1O[C@H](Cc1ccc(Br)cc1)C(=O)O 225066186 LZXITUVRKCKAHR-OAHLLOKOSA-N 351.196 3.532 0 40 FHAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1 225004642 FUKKOMQOJYGIDR-SFHVURJKSA-N 374.868 3.973 0 40 FHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc2c(c1)OCCO2 222738012 ZBOVDOGXYBUHBI-AWEZNQCLSA-N 353.418 3.743 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 224813249 FTVOQSSQBPDURR-INIZCTEOSA-N 372.896 3.826 0 40 FHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1cccc(OC)c1 224452373 JKXDUTJNPYVXFS-HXUWFJFHSA-N 357.450 3.665 0 40 FHAB Brc1cccc(-c2noc(-c3nc(-c4ccncc4)no3)n2)c1 98212356 HZMOWQNBDRRULV-UHFFFAOYSA-N 370.166 3.611 0 40 FHAB Cc1cccc(CN2CCC3(CC2)C[C@H](OCC2CCOCC2)CO3)c1 96106694 RTVDHDBIACQCAB-NRFANRHFSA-N 359.510 3.562 0 40 FHAB Cc1ccc(C(=O)N2C[C@H]3CCC[C@H](OCc4cccnc4)[C@H]3C2)cc1 96182972 AERKBLFQZYIQPF-HKBOAZHASA-N 350.462 3.848 0 40 FHAB Cn1cnnc1[C@@H]1CCCCN1Cc1ccc(-c2ccccc2C(=O)O)o1 257215211 CPDSLICGQROOKS-KRWDZBQOSA-N 366.421 3.501 0 40 FHAB Cc1ccc(OCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1C 253445383 GSHLXZQGIGLSNM-RMKNXTFCSA-N 364.489 3.540 0 40 FHAB Cc1ccc(-c2ccc(C(=O)NCC3(N(C)C)CCCC3)c(C)n2)cc1 257173312 JIZMNFWXPDBERP-UHFFFAOYSA-N 351.494 3.970 0 40 FHAB C=CC(=O)Nc1cccc(C(=O)N[C@@H]2CCCOc3cc(F)ccc32)c1 1137898660 BXAJKLPYNPOIOK-QGZVFWFLSA-N 354.381 3.594 0 40 FHAB CC(C)(C)[C@@H]1CCN(C(=O)c2nnc(-c3c(F)cccc3F)s2)C1 669394213 CTZWSRKQNRVBPI-SNVBAGLBSA-N 351.422 3.992 0 40 FHAB C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1cnco1 618237560 DOXQNECFVPLXSU-INIZCTEOSA-N 354.328 3.811 0 40 FHAB CSc1ccccc1NC(=O)C(=O)NCCCc1cc2ccccc2o1 390828707 BQWZQZZQIFPGJR-UHFFFAOYSA-N 368.458 3.842 0 40 FHAB C[C@]1(C2CC2)CN(C(=O)NCc2csc(-c3ccccc3)n2)CCO1 660923511 PDVHUOYGGPZRDI-LJQANCHMSA-N 357.479 3.521 0 40 FHAB Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3CN(CCC(C)C)C[C@H]23)no1 585109772 SEQZNEXLCRFUFX-CMKODMSKSA-N 353.466 3.529 0 40 FHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@H](C)CCc1ccccc1 40068696 PQPAMFVQTLCRIA-MRXNPFEDSA-N 354.450 3.968 0 40 FHAB C[C@H](c1nc(-c2cccs2)no1)S(=O)(=O)CCCc1ccccc1 61794130 DSZCMOMVABLYRM-CYBMUJFWSA-N 362.476 3.907 0 40 FHAB COc1cccc(-c2nn3c(N)nc(-c4ccccc4)c3cc2C(C)=O)c1 1548338392 ZSZGZMDGFRGHTJ-UHFFFAOYSA-N 358.401 3.857 0 40 FHAB O=C(Cn1ccnc1-c1ccccc1)N[C@@H](c1ccccc1)c1cccnc1 12116825 BTJMFYBXRXGLOP-QFIPXVFZSA-N 368.440 3.851 0 40 FHAB COc1cccc(N2C[C@@H](C(=O)N[C@@H](C)c3ccc(Cl)cc3)CC2=O)c1 12873000 NSPPBOJRRUFELQ-ZFWWWQNUSA-N 372.852 3.579 0 40 FHAB CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 16601530 MBZLEUPGJGBUCI-HNNXBMFYSA-N 360.479 3.714 0 40 FHAB CC(C)CC(=O)N1CC[C@](Cc2ccc(-c3cccs3)cc2)(C(N)=O)C1 19446178 KGYUNLXYRINOCA-OAQYLSRUSA-N 370.518 3.708 0 40 FHAB COc1ccccc1/C=C/CN1CCC[C@@H](c2nc(C)c(C)c(O)n2)C1 19555334 DWHYSMHWQOCZDL-AHKGRUIUSA-N 353.466 3.700 0 40 FHAB Cc1nn([C@@H](C)CC(=O)N2CCN(C)C[C@@H]2c2ccccc2)c(C)c1Cl 19577541 UCWFHORWHZZXIU-KBXCAEBGSA-N 374.916 3.620 0 40 FHAB O=C1OC(c2cccs2)=N/C1=C\c1ccc(Br)cc1F 8179553 SHTCJHIPRPIUHK-WDZFZDKYSA-N 352.184 3.994 0 40 FHAB CCOc1ccc(Cl)cc1/C=C(\Sc1nnc(CC)[nH]1)C(=O)O 7342553 QGDBEVGWDWPXPS-WQLSENKSSA-N 353.831 3.637 0 40 FHAB CCOC(=O)c1cnc2c(OC)cccc2c1Nc1cccc(C(=O)O)c1 953664 JKRPVCBEXDMTOL-UHFFFAOYSA-N 366.373 3.862 0 40 FHAB O=C([C@H](Oc1ccc(-c2nnco2)cc1)c1ccccc1)N1CCCCC1 5505375 WHZCFOXESUJXHC-LJQANCHMSA-N 363.417 3.869 0 40 FHAB Cc1sc2ncn(CC(=O)c3ccc4c(c3)CCCC4)c(=O)c2c1C 6111157 DFFRFITZPGTYBV-UHFFFAOYSA-N 352.459 3.837 0 40 FHAB CC(C)[C@@H](NC(=O)CCCn1c(=O)oc2ccccc21)c1cccs1 7120446 OUVRLUQSKMCRGD-GOSISDBHSA-N 358.463 3.950 0 40 FHAB C=CC(=O)Nc1ccc(O)c(C(=O)N(C)[C@@H](C)c2cc(F)ccc2F)c1 1595403217 PKAMVLYHTVHHFY-NSHDSACASA-N 360.360 3.628 0 40 FHAB O=C(CSc1ccc(-c2ccncc2)nn1)NCc1ccc(Cl)cc1 4392147 NKSSVGNNOWHNIN-UHFFFAOYSA-N 370.865 3.601 0 40 FHAB Cc1ccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 5388449 WDHGWIQGBPSQLA-UHFFFAOYSA-N 353.809 3.511 0 40 FHAB Cc1ccc(NC(=O)Cn2cnc3c(sc4cccc(F)c43)c2=O)cc1 17042293 KDXPINHAZLTOQU-UHFFFAOYSA-N 367.405 3.697 0 40 FHAB Cc1nc2sc([C@H](c3ccccc3F)N3CCC[C@@H](C)C3)c(O)n2n1 22626066 UIWGSIXDYDVEPO-ABAIWWIYSA-N 360.458 3.765 0 40 FHAB Cn1cc([C@H]2CN(C(=O)c3cccc(Cl)c3)Cc3ccccc32)cn1 585409761 RUGGECPCLBXHPL-LJQANCHMSA-N 351.837 3.861 0 40 FHAB CCCCn1c(O)c(C(=O)Nc2ccc(Cl)cn2)c(=O)c2ccccc21 5737739 ZHVYUENQAKTMOT-UHFFFAOYSA-N 371.824 3.808 0 40 FHAB C[C@@H]1C[C@@H](C)CN(CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)C1 40162230 HNLJQNODBFXMSU-INMHGKMJSA-N 355.438 3.528 0 40 FHAB Cc1ccc2cc(C(=O)NCc3ccc(N4CCCC4)nc3)c(C)nc2c1 30634099 SHRCFEPRFUOJGA-UHFFFAOYSA-N 360.461 3.777 0 40 FHAB CCOC(=O)/C=C(\Nc1cc2c(cc1C)c(C)c(C)n2C)C(=O)OCC 100226025 GYQAKTUUPUIABR-BOPFTXTBSA-N 358.438 3.526 0 40 FHAB C[C@@H]1C(=O)Nc2ccc(-c3csc(NC(=O)c4ccccn4)n3)cc21 102875861 HNUSZYUMQOAWLN-JTQLQIEISA-N 350.403 3.513 0 40 FHAB CC(=O)N1N=C(c2ccc(C)cc2)O[C@@H]1c1ccc(Br)cc1 828192 VVIAOVQAUVXUMH-QGZVFWFLSA-N 359.223 3.997 0 40 FHAB COC(=O)c1sccc1CN(C)Cc1csc(Br)c1 79072804 CFENEYNZXSUVAO-UHFFFAOYSA-N 360.298 3.991 0 40 FHAB C[C@H](Cc1ccc(O)cc1)N(C)c1cc(-c2ccccc2)nc2ncnn12 79099084 TVGLGXHTDCYQCE-OAHLLOKOSA-N 359.433 3.564 0 40 FHAB O=C(Nc1cc(Br)c(O)c(Br)c1)c1cccnc1 3078296 DRQQLXKOJWWQGM-UHFFFAOYSA-N 372.016 3.565 0 40 FHAB Cc1ccc(-c2nc3ccc(I)cc3c(=O)o2)cc1 3157208 HJDFNIYJTYIDME-UHFFFAOYSA-N 363.154 3.768 0 40 FHAB CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1ccccc1Cl 12527519 XUPBMOXLTREEBD-UHFFFAOYSA-N 364.898 3.761 0 40 FHAB Cc1ccc(-c2nnc(CCC(=O)N3CCC[C@@H]3c3ccc[nH]3)o2)cc1 84174676 IGKATODSUNXTLE-QGZVFWFLSA-N 350.422 3.669 0 40 FHAB COc1ccc2c(C)c(CC(=O)NCc3cccc(Cl)c3)c(=O)oc2c1 4742843 JYRBEVQEYCYVJZ-UHFFFAOYSA-N 371.820 3.622 0 40 FHAB CC(=O)Nc1ccc2nc(NC(=O)COc3ccc(Cl)cc3C)oc2c1 6471770 ZCAZOGVFMQNVQU-UHFFFAOYSA-N 373.796 3.766 0 40 FHAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc2ccccc2c1 7736572 OXAMEYOREVNPRL-CQSZACIVSA-N 369.442 3.651 0 40 FHAB Cc1cccc(C)c1OC(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C 7983201 DUDGZVWJHJQSHP-QGZVFWFLSA-N 361.388 3.942 0 40 FHAB Cc1cc(C(=O)N2CCC(c3ccc(O)cc3)CC2)c2c(C)noc2n1 55125138 ZCMVYZSEVISRDT-UHFFFAOYSA-N 351.406 3.565 0 40 FHAB CSc1ccc(CN(C)Cc2nc(N)nc(Nc3ccccc3)n2)cc1 12533978 KCMRDALEJSKTLG-UHFFFAOYSA-N 366.494 3.551 0 40 FHAB Cc1ccc(F)c(NC(=O)CSc2nnc(Cc3ccccc3)n2C)c1 8370010 GRDKMTBRPXCQCI-UHFFFAOYSA-N 370.453 3.584 0 40 FHAB CCc1ccccc1NC(=O)c1ccc(NC(=O)CCCC(=O)O)cc1 8434591 ACHBFZZDEYSEGX-UHFFFAOYSA-N 354.406 3.695 0 40 FHAB O=C(Nc1cc(F)ccc1-n1cccn1)c1ccn(-c2ccccc2F)n1 106663092 GORNMKFDJRIDHF-UHFFFAOYSA-N 365.343 3.589 0 40 FHAB CC[C@H](CNC(=O)Nc1cc(NC(C)=O)ccc1OC)c1ccccc1 43668877 GLHQAIZAGOBMPG-OAHLLOKOSA-N 355.438 3.969 0 40 FHAB CN(Cc1ccc2c(c1)OCO2)C(=O)Cc1ccc(Cl)c(Cl)c1 25248897 OXVYIVAGDFPZGZ-UHFFFAOYSA-N 352.217 3.923 0 40 FHAB CCOc1ccc(NC(=O)CSCC(=O)Nc2ccc(F)cc2)cc1 1892674 BCNXORBJFIYMIX-UHFFFAOYSA-N 362.426 3.535 0 40 FHAB C[C@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(Cl)cc1 57876961 ASBVSTNMUSDXPK-ZDUSSCGKSA-N 371.868 3.522 0 40 FHAB Cc1cc(C)c2cc(C(=O)OCC(=O)Nc3nc(C)c(C)s3)[nH]c2c1 58166523 MDYVXWBKWJMOJG-UHFFFAOYSA-N 357.435 3.654 0 40 FHAB CC(C)c1ccccc1OCCNC(=O)c1ccc(Cn2ccnc2)cc1 111121198 RLRBTHXZZIBSHW-UHFFFAOYSA-N 363.461 3.864 0 40 FHAB COc1ccc(OC)c(-c2cc(C(=O)Nc3nc(C4CC4)cs3)no2)c1 58245552 DIWMFJKCLSPUGL-UHFFFAOYSA-N 371.418 3.945 0 40 FHAB CC(C)OCc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1 28043672 HSZCJLWRSLIKHL-UHFFFAOYSA-N 353.871 3.744 0 40 FHAB Fc1ccc(OCc2nn3c(CCc4ccccc4)nnc3s2)cc1 10311915 VQUCOLRUPSODDT-UHFFFAOYSA-N 354.410 3.689 0 40 FHAB Cc1ccc(OC[C@@H](O)CN(CCO)Cc2ccccc2)c(C(C)(C)C)c1 27531059 IKQSZGYUGSPOJM-FQEVSTJZSA-N 371.521 3.527 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cc3cc(C)ccc3oc2=O)cc1 58603081 RWUKBUZQQKPZJJ-UHFFFAOYSA-N 351.358 3.530 0 40 FHAB CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)O)N3C[C@@H](C)C[C@@H](C)C3)c2c1 36359699 QMEPWRYJGZLKKO-BIENJYKASA-N 371.481 3.866 0 40 FHAB CN(C)[C@@H](CNC(=O)CCc1nc2ccccc2s1)c1ccccc1 3304475 ZSKYNVFMVUNZBL-KRWDZBQOSA-N 353.491 3.648 0 40 FHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)COc1cccc(C)c1C 28189236 XFUCRSURDKFGJA-UHFFFAOYSA-N 371.462 3.842 0 40 FHAB O=C(COc1cccc(Cl)c1)Nc1nc(-c2cccs2)ns1 11916746 DVTUIBZUHZNCSX-UHFFFAOYSA-N 351.840 3.938 0 40 FHAB COc1ccc(C(=O)c2ccccc2I)cc1OC 37360003 ISRLZBLMESYWFT-UHFFFAOYSA-N 368.170 3.539 0 40 FHAB Cc1nnc(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)s1 12800993 QKCRLRYZSOFVEO-UHFFFAOYSA-N 359.432 3.599 0 40 FHAB CCCCNC(=O)CSc1nnc(Nc2ccc(CC)cc2)s1 3461257 QPSKHHPXMKDRQE-UHFFFAOYSA-N 350.513 3.853 0 40 FHAB O=C(NCc1ccccc1CN1CCC(O)CC1)c1ccc2ccccc2c1 72306649 HZDHZAHWWXHLBN-UHFFFAOYSA-N 374.484 3.727 0 40 FHAB CCC[C@](C)(CCCNC(=O)Nc1cccnc1Cl)C1OCCO1 72306245 BNEXBYYZMTUNEM-QGZVFWFLSA-N 355.866 3.816 0 40 FHAB O=C(COc1ccccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 3565918 NJWCPJUHCOCYAU-UHFFFAOYSA-N 365.260 3.721 0 40 FHAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccc(O)c(Cl)c1 13022299 HNGRUCQSIWGNMD-UHFFFAOYSA-N 358.869 3.962 0 40 FHAB CSc1ccccc1NS(=O)(=O)c1cc(C(=O)O)cc(C)c1C 13078591 IQONRWAEGUBVDD-UHFFFAOYSA-N 351.449 3.524 0 40 FHAB CCOc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1OC 13041169 INAXCRRVDIRWDP-UHFFFAOYSA-N 374.868 3.710 0 40 FHAB COc1cccc(-c2nc(C)c(C(=O)N[C@H]3CCOC(C)(C)C3)s2)c1 71285809 MLBFUABLJWTDBB-AWEZNQCLSA-N 360.479 3.815 0 40 FHAB CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2C(F)(F)F)C1 4241667 YEIKSWABWWUHCZ-NWDGAFQWSA-N 359.344 3.741 0 40 FHAB Cc1cc(C(=O)NC2CCCC2)ccc1NCC(=O)N1[C@@H](C)CCC[C@H]1C 65277308 FGAQQPZENXESDB-CALCHBBNSA-N 371.525 3.869 0 40 FHAB O=C1OCC2=C1[C@H](c1ccc(O)cc1)CC(=O)N2c1ccc(F)c(Cl)c1 5246089 OWLWFRKHWSSABS-ZDUSSCGKSA-N 373.767 3.516 0 40 FHAB CC(C)c1nnc(S[C@@H](C(N)=O)c2ccc(F)cc2)n1Cc1ccco1 14093511 NIDOUQBOCASNKI-OAHLLOKOSA-N 374.441 3.501 0 40 FHAB Cc1cc2oc(=O)cc(Cn3nc(-c4ccco4)oc3=O)c2cc1C(C)C 14136065 OPFOTWBWXDBYQM-UHFFFAOYSA-N 366.373 3.683 0 40 FHAB CCS(=O)(=O)N1c2ccc(C(=O)Nc3ccc(C)cc3C)cc2C[C@@H]1C 20448961 AQYRQIBPVUMMET-HNNXBMFYSA-N 372.490 3.656 0 40 FHAB COc1ccc(Cn2nccc2NC(=O)c2cccc(Cl)c2)c(OC)c1 14111889 PXFBOFGRHLIPJC-UHFFFAOYSA-N 371.824 3.854 0 40 FHAB CCC(C)(C)C1CCC(NC(=O)c2nn(C)c(=O)c3ccccc23)CC1 5407641 FVTPYEIGGXEYJS-UHFFFAOYSA-N 355.482 3.658 0 40 FHAB C[C@H](OC(=O)c1ccc(-n2cccn2)cc1)C(=O)c1c[nH]c2ccccc12 21471633 GHFVKZYGRKMSKE-AWEZNQCLSA-N 359.385 3.782 0 40 FHAB O=C(c1ccc2ccccc2n1)N1CCN(C/C=C/c2ccccc2)CC1 19859178 DKMJDWSFMFLXHH-RMKNXTFCSA-N 357.457 3.706 0 40 FHAB C[C@H]1CCN(C(=O)CSc2nnc(C3CC3)n2C)c2ccccc2S1 7235236 AYZQMPWSKSIZQI-LBPRGKRZSA-N 374.535 3.702 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cc(F)c(Cl)cc2Cl)no1 9500914 KDYGODBIROCSLA-SSDOTTSWSA-N 361.156 3.613 0 40 FHAB CCn1c(SCC(=O)N[C@H](C)c2cc3ccccc3o2)nnc1C1CC1 7533958 QJFLXZWAMWUFBW-GFCCVEGCSA-N 370.478 3.891 0 40 FHAB O=C(CN1C(=O)COc2ccccc21)Nc1ccc2c(c1)Cc1ccccc1-2 15982648 IWQLSSBNCCUMKX-UHFFFAOYSA-N 370.408 3.622 0 40 FHAB CC[C@H](NC(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1c(C)nn(C)c1C 81260166 WHJKNVUGUGCTBY-HOCLYGCPSA-N 361.873 3.509 0 40 FHAB O=C(CCc1ccsc1)Nc1ccc2nc(N3CCOCC3)sc2c1 7990098 NASJFWXXMYZJKY-UHFFFAOYSA-N 373.503 3.766 0 40 FHAB CCn1cc(C(=O)N(C)Cc2cccc(Cl)c2)c(=O)c2ccc(C)nc21 7984737 NPXGGZAEVCZRMK-UHFFFAOYSA-N 369.852 3.650 0 40 FHAB CC(=O)N[C@@H](CC(=O)N(C)[C@H](C)c1ccc(F)cc1)c1ccc(C)cc1 21484226 VHESYTDOCKMJND-QRWLVFNGSA-N 356.441 3.921 0 40 FHAB CN(Cc1ccccc1-c1ccccc1)[C@@H]1CCN(CC(F)(F)F)C1=O 83865615 WKYKFWNIOINETO-GOSISDBHSA-N 362.395 3.949 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2C)C1 8216855 QCJYVLKTNMYTFR-ZDUSSCGKSA-N 358.825 3.649 0 40 FHAB CC(C)(C)c1ccc(OCCNS(=O)(=O)Cc2ccccc2F)cc1 60357180 SFEVEUKKMCCRQW-UHFFFAOYSA-N 365.470 3.622 0 40 FHAB O=C(NCc1ccc(Cn2cccn2)cc1)c1ccccc1C(F)(F)F 9690030 SRNLPRGFVXRBGL-UHFFFAOYSA-N 359.351 3.880 0 40 FHAB O=C(Oc1ccc(Cl)cc1N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccco1 18241339 MMYJFVATTXNYHP-BETUJISGSA-N 371.776 3.608 0 40 FHAB O=C(NCc1cccnc1)N1CCC[C@H](c2nc3ccccc3s2)C1 8707101 LPEXCOGFXFKJLM-HNNXBMFYSA-N 352.463 3.781 0 40 FHAB CCOc1ccc(NC(=O)[C@@H](C)Cn2nc(C(F)(F)F)cc2C)cc1 28238973 GOBMCDRODOKKGA-NSHDSACASA-N 355.360 3.884 0 40 FHAB COc1ccc(NC(=O)COc2ccc(F)cc2C(C)=O)cc1Cl 8777869 DACKGSKHVNWUTN-UHFFFAOYSA-N 351.761 3.708 0 40 FHAB CSc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C)cc1 8869659 PMJBIXRXUOVCOG-KRWDZBQOSA-N 351.427 3.998 0 40 FHAB COc1ccc(-c2nonc2NC(=O)COc2ccc(C(C)C)cc2)cc1 8915183 SVAQVVZWJDBPGT-UHFFFAOYSA-N 367.405 3.886 0 40 FHAB CC(C)Cn1ccc2cc(NC(=O)Cn3ncc(=O)c4ccccc43)ccc21 89856728 LABLGRSUDCPKSY-UHFFFAOYSA-N 374.444 3.646 0 40 FHAB CC1CCN(C(=O)C2CCN(c3nccc4ccc(F)cc34)CC2)CC1 89929937 ZUKXSCFEZQOSCO-UHFFFAOYSA-N 355.457 3.849 0 40 FHAB CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC(=O)c1occc1COc1ccccc1 76022488 BJHWMBOCTOTIMR-QRQLOZEOSA-N 355.434 3.792 0 40 FHAB Cn1c(NS(=O)(=O)c2cc(Cl)ccc2Cl)nc2ccccc21 27923924 BFBYSYUWAVVYPH-UHFFFAOYSA-N 356.234 3.681 0 40 FHAB Clc1ccc(COc2ccccc2CNCCCN2CCOCC2)cc1 22074019 UIARWGJQKKSPMX-UHFFFAOYSA-N 374.912 3.731 0 40 FHAB O=Cc1ccc(-c2ccc(C(=O)OCc3ccc(C(=O)O)cc3)cc2)o1 409178325 KVICFKMGJQLHKK-UHFFFAOYSA-N 350.326 3.814 0 40 FHAB COc1cccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1OC 69106814 LUUQTIZDZJTXKD-UHFFFAOYSA-N 368.433 3.582 0 40 FHAB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc(OC)cc2)CC1=O 408669822 SCFBJKMREKXLGZ-QGZVFWFLSA-N 367.445 3.779 0 40 FHAB Cc1ccc(NC(=O)CSc2nc(/C=C/c3ccco3)n[nH]2)c(C)c1 32893234 YSHNBLDWSTYZBJ-SOFGYWHQSA-N 354.435 3.916 0 40 FHAB Cc1ccc2nc(C)c(C(=O)N3CCN(c4cccc(C)c4C)CC3)n2c1 71468752 WAOVEZVXCBQRHL-UHFFFAOYSA-N 362.477 3.530 0 40 FHAB COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)c3cc[nH]n3)C2)n1 72349780 ZAXZIVNLVJZVBQ-HNNXBMFYSA-N 362.433 3.500 0 40 FHAB O=C(CCc1ccccc1)N1CCC[C@@H](c2ccc(-c3cncnc3)cn2)C1 72380121 MHVIFFGJCRDENW-HXUWFJFHSA-N 372.472 3.877 0 40 FHAB COc1cc(S(=O)(=O)Nc2nc3ccccc3s2)ccc1Cl 72414469 MCWTWTZMFDPPLO-UHFFFAOYSA-N 354.840 3.759 0 40 FHAB COc1cc(C(=O)NCc2cccc(Br)c2)nc2ccccc12 72329575 NYSBHERBZKAETD-UHFFFAOYSA-N 371.234 3.936 0 40 FHAB Cc1ccccc1[C@H](C)NC(=O)CSc1nc(Cc2cccs2)n[nH]1 32891528 RRXHNHPKWOVTGW-ZDUSSCGKSA-N 372.519 3.735 0 40 FHAB CCn1c(C)cc(C(=O)O[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1C 49574132 QYNYYQXUNQMTKE-ZBFHGGJFSA-N 354.450 3.648 0 40 FHAB O=C(NCc1ccnc(-c2ccsc2)c1)c1ccc2nsnc2c1 225755032 UTVSLABELVXYAL-UHFFFAOYSA-N 352.444 3.745 0 40 FHAB COc1cccc(OC)c1CN(C)S(=O)(=O)c1ccc2ccccc2c1 223738237 ZQEXFWDKSCCCTE-UHFFFAOYSA-N 371.458 3.678 0 40 FHAB CCC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCCC1 224787910 YYTBGUNDOVSCBT-AWEZNQCLSA-N 350.890 3.916 0 40 FHAB CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(F)c(Cl)c1 41077095 ZJWBMGXMJDQMKM-UHFFFAOYSA-N 359.788 3.985 0 40 FHAB COc1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2C)c(OC)c1 222583132 GCHGLXQOCHGYCU-UHFFFAOYSA-N 367.380 3.861 0 40 FHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1F 225012371 IBJFVRIUPORISA-IAGOWNOFSA-N 370.468 3.700 0 40 FHAB COc1ccccc1NC(=S)NC1CCN(Cc2cccs2)CC1 225230466 GCMAVFZEIFDBNN-UHFFFAOYSA-N 361.536 3.708 0 40 FHAB COc1cccc([C@H]2C[C@H](N(C)C(=O)c3cc4nccnc4cc3F)C2)c1 577156651 PTKSGOQAKMLAAN-SHTZXODSSA-N 365.408 3.796 0 40 FHAB CCN(Cc1ccccc1)C(=O)c1nc2c(n1C(C)C)CCN(C(C)C)C2 96147116 YRHAGINDJINPMM-UHFFFAOYSA-N 368.525 3.893 0 40 FHAB CS(=O)(=O)c1sc2[nH]nc(N)c2c1-c1ccc(-c2ccccc2)cc1 96532152 NLXRQTGPJXFDRH-UHFFFAOYSA-N 369.471 3.944 0 40 FHAB Cc1cccc(CN2CCC3(CC2)C[C@H](OCc2ccncc2)CO3)c1 96106844 LPGJWJOLTQBSJP-NRFANRHFSA-N 352.478 3.730 0 40 FHAB O=C(C1CCC1)N1CC[C@H](Oc2cccnc2)[C@@H](Cc2ccccc2)C1 96206312 HTFGCRSRYIYXGT-FPOVZHCZSA-N 350.462 3.720 0 40 FHAB CC(=O)Nc1cc(CCC2CCN(C(=O)c3ccccc3)CC2)ccn1 257212232 CCLHXOBTHVROLR-UHFFFAOYSA-N 351.450 3.525 0 40 FHAB CC(C)c1ccc(-c2nc(C(=O)N[C@@H]3C[C@@H](C)n4ncnc43)cs2)cc1 617429939 JHMXVEDEARCBRM-IUODEOHRSA-N 367.478 3.961 0 40 FHAB Cc1cccc(Oc2ccc(C(=O)N[C@@H](C)c3noc(C(F)F)n3)nc2)c1 1637565099 UGTXFKIFYICZSG-NSHDSACASA-N 374.347 3.994 0 40 FHAB Cc1nc(C)c(CNc2ncnc3c2cnn3-c2ccccc2F)s1 1655188124 BMFRNFQBOBSSHV-UHFFFAOYSA-N 354.414 3.640 0 40 FHAB O=C(c1ccc2c(O)ncnc2c1)N1CC2(CCCC2)c2c(F)cccc21 639633273 VIIDYBYYVYXSNK-UHFFFAOYSA-N 363.392 3.947 0 40 FHAB FC(F)(F)Oc1cccc(C2(c3nc(-c4ccncn4)no3)CCC2)c1 656020203 SCNCLEUTYMQJNI-UHFFFAOYSA-N 362.311 3.895 0 40 FHAB CC(C)COc1ccc(C(C)(C)CNC(=O)N2CCC23CCOCC3)cc1 683415542 AWPNOWLLYNMKNL-UHFFFAOYSA-N 374.525 3.964 0 40 FHAB CCC(=O)N1CC[C@H](NCc2ccc(-c3scnc3C)cc2)[C@H](C)C1 1616044661 OIJPSHGOWLSDCE-KDOFPFPSSA-N 357.523 3.855 0 40 FHAB COC1CCN(c2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2)CC1 96104522 FTIHYXQPDXMFKT-UHFFFAOYSA-N 369.421 3.675 0 40 FHAB CCOc1ccc([C@H](COC)NC(=O)N2C[C@H](C)C(F)(F)[C@@H](C)C2)cc1 585123257 MTBBCVYYHADJKP-ZQIUZPCESA-N 370.440 3.706 0 40 FHAB O=C(CSc1ncnc2scc(-c3ccc(F)cc3)c12)N1CCC1 70038356 ZHTMIZCGFRSTQJ-UHFFFAOYSA-N 359.451 3.822 0 40 FHAB CCOc1ccc([C@H](C)NC(=O)Cc2c(C)noc2Cl)cc1OCC 58202566 KHZHRRMGJBVMRD-NSHDSACASA-N 366.845 3.854 0 40 FHAB C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCC[C@H](C(F)(F)F)C1 57358822 ITFPDEYLDGDYGA-NEPJUHHUSA-N 366.391 3.533 0 40 FHAB O=C([C@@H]1CC=CCC1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 85471732 HABFMYDHBSTXNB-CYBMUJFWSA-N 354.372 3.827 0 40 FHAB CCc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccccc3OC)NC(=O)CN21 2160281 TWGLQMXQKXSJFL-OTOIZHKDSA-N 362.473 3.895 0 40 FHAB biogenic O=C(CSc1nc(-c2cccs2)n[nH]1)N[C@@H]1CCCc2ccccc21 5017199 DBEGTXLAYKLZAO-CQSZACIVSA-N 370.503 3.819 0 40 FHAB CCc1ccc(CCC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)cc1 11948416 RCYOQJNYEBBNOY-UHFFFAOYSA-N 365.521 3.962 0 40 FHAB C[C@@H](NC(=O)C1CCCCC1)c1nc2cc(-c3ccccc3F)ncn2n1 12085070 RKMQJCZPINLIBJ-CYBMUJFWSA-N 367.428 3.688 0 40 FHAB COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)[C@H]3CCCO3)on2)cc1 12120254 YSSIGQDFPJJODK-RBUKOAKNSA-N 370.449 3.973 0 40 FHAB COc1ccc(C2(NC(=O)Cc3ccc4c(c3)OCO4)CCCCC2)cc1 12143152 LDXXDYRVBSQXLP-UHFFFAOYSA-N 367.445 3.942 0 40 FHAB CCOc1ccc2[nH]c(C(=O)N(C)[C@@H](C)Cc3ccccn3)c(C)c2c1 12290390 HTAVBFRPBPFTJD-AWEZNQCLSA-N 351.450 3.973 0 40 FHAB O[C@](c1ccccc1)(c1cccnc1)[C@@](O)(c1ccccc1)c1cccnc1 13222502 SWNTUXVFZXJRMT-DNQXCXABSA-N 368.436 3.649 0 40 FHAB Fc1ccc(-n2cc(CN(Cc3ccccn3)C[C@@H]3CCCO3)cn2)cc1 19401420 XTPNAPYIEQASPP-NRFANRHFSA-N 366.440 3.588 0 40 FHAB CCC[C@@H](NC(=O)N[C@@H](C)Cn1cncn1)c1ccc(Cl)c(Cl)c1 102009818 VEYWOYLXVXWKCK-XHDPSFHLSA-N 370.284 3.814 0 40 FHAB Cc1ccc2nc(COCC(=O)N3CCc4cc(Cl)ccc43)[nH]c2c1 19654797 YJMVBUUKPWACIR-UHFFFAOYSA-N 355.825 3.631 0 40 FHAB Cc1sc2ncnc(SCc3cc(=O)n4ccsc4n3)c2c1C 3318725 VWGIYESMOXICCB-UHFFFAOYSA-N 360.489 3.670 0 40 FHAB CN1CC[C@@H](c2n[nH]cc2-c2ccnc(NCc3cccc(F)c3)c2)C1 1848356924 XNDZLMIMTAIFPF-MRXNPFEDSA-N 351.429 3.642 0 40 FHAB Cc1nc([C@@]2(C)CCCN(C(=O)Cc3cccs3)C2)c2sccn12 1848353184 MWWJOYXQALRHEQ-SFHVURJKSA-N 359.520 3.889 0 40 FHAB FC(F)(F)c1cc(N2CC[C@@H](COc3ccc(C4CC4)nn3)C2)ccn1 1888846745 CNMUJDZYYXGNQM-GFCCVEGCSA-N 364.371 3.673 0 40 FHAB O=C(CCc1ccc(F)c(Cl)c1)N1CC[C@H]2CN(c3ccccn3)C[C@H]21 1889149511 PTAUKSPHWOVPFV-MAUKXSAKSA-N 373.859 3.544 0 40 FHAB CC(C)(C)c1cn2nc(NCc3cnn(-c4ccccc4)c3)sc2n1 24990973 BUACSDCQFWDBNH-UHFFFAOYSA-N 352.467 3.886 0 40 FHAB COc1cc(OC)cc(C(=O)NCCSc2c[nH]c3ccccc23)c1 2720989 VPWNDOPSBAEIGW-UHFFFAOYSA-N 356.447 3.707 0 40 FHAB O=C(CSc1nnc2ccc(-c3cccs3)nn12)c1ccccc1 5168280 MCQIUPXSCBJCHH-UHFFFAOYSA-N 352.444 3.828 0 40 FHAB COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(C)cc(C)c2)c1 8843907 ZYWJREXKYLAQID-IBGZPJMESA-N 365.433 3.579 0 40 FHAB Cc1cccc(CN2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)c1 35430987 USXWHRMQKLQHOV-UHFFFAOYSA-N 361.489 3.523 0 40 FHAB biogenic COc1ccc(CNC(=O)N2CCc3sc(Cl)cc3C2)cc1OC 575616553 PVCGUBOLNAUZKC-UHFFFAOYSA-N 366.870 3.687 0 40 FHAB CCc1nc2sc([C@@H](c3ccccc3F)N3CCCCC3)c(O)n2n1 22853052 GOFNEOJCGXICBU-OAHLLOKOSA-N 360.458 3.773 0 40 FHAB COc1ccc2c(ccn2CC(=O)N[C@H](C)Cc2c[nH]c3ccccc23)c1 20761359 LYTLKPPNQNKOGH-OAHLLOKOSA-N 361.445 3.879 0 40 FHAB biogenic CSCC[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1nnc2ccccn12 20736608 NVAAZHBGCLMHTG-OAHLLOKOSA-N 374.897 3.536 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 32768755 BZGXZVKOAMIPPB-VBKZILBWSA-N 374.444 3.704 0 40 FHAB COc1cccc(CC(=O)NCc2cccnc2Oc2cccc(F)c2)c1 32924754 LQRDRSVCGAGUIS-UHFFFAOYSA-N 366.392 3.881 0 40 FHAB COc1ccc(OC)c(CCC(=O)N2CCC(c3ccc(O)cc3)CC2)c1 32908267 NCWYBDCEVGSSGI-UHFFFAOYSA-N 369.461 3.748 0 40 FHAB Cc1cc(-c2nnc3sc(-c4cc(Cl)ccc4Cl)nn23)[nH]n1 22501529 ISFYZDWGRSITSD-UHFFFAOYSA-N 351.222 3.858 0 40 FHAB O=S(=O)(c1ccccc1)N1CCN(c2cc(Cl)ccc2Cl)CC1 1017803 CHRJRWIYCPLCAA-UHFFFAOYSA-N 371.289 3.504 0 40 FHAB COc1ccc(NC(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccco2)cc1 1377688 QQCCGLWWFGZOMU-ROUUACIJSA-N 369.465 3.995 0 40 FHAB O=C(Nc1ccc(F)c(F)c1)NC1(C(F)(F)F)Oc2ccccc2O1 2725271 YDBBFMVLWDHCQW-UHFFFAOYSA-N 360.238 3.774 0 40 FHAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)c1C 3222528 RRVWBCOWXVGINS-UHFFFAOYSA-N 374.506 3.558 0 40 FHAB COc1cc(/C=C/C(=O)Nc2ccc3c(c2)OCO3)ccc1OC(F)F 3245645 VPOZNJBEQCPKLM-XVNBXDOJSA-N 363.316 3.677 0 40 FHAB FC(F)Oc1ccc(NC(=S)NNc2nc3ccccc3o2)cc1 3293502 YILUGHJMJCHGDT-UHFFFAOYSA-N 350.350 3.743 0 40 FHAB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)NCc1ccccc1 3302050 QFIMZTFCUHAJPF-UHFFFAOYSA-N 361.397 3.952 0 40 FHAB COc1cc(CN(C)[C@@H](C)C(=O)Nc2ccccc2)ccc1OC(F)F 3541016 VNPZQMNQPVUOAB-ZDUSSCGKSA-N 364.392 3.756 0 40 FHAB CC(C)CNC(=O)COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 3544099 UZLASXCUQGPSGJ-UHFFFAOYSA-N 369.339 3.894 0 40 FHAB CC1(C)Cc2c(sc3nc(NCc4ccccc4)n4ncnc4c23)CO1 5554441 CFHXCEAMFQBJJA-UHFFFAOYSA-N 365.462 3.802 0 40 FHAB COc1cc(C(=O)Nc2ncccc2O)cc(Cl)c1OCC(C)C 5701418 YCDDGKOTSVFDPU-UHFFFAOYSA-N 350.802 3.736 0 40 FHAB CCc1cc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)sc1C 7182902 XOJOUJOTSXKFAE-UHFFFAOYSA-N 356.491 3.784 0 40 FHAB O=C(CN1CCC[C@H]2CCCC[C@@H]21)Nc1cc(Cl)ccc1-n1cncn1 7587819 OVSPXCMOPYZHSQ-PBHICJAKSA-N 373.888 3.514 0 40 FHAB Cc1cc(C(=O)N(Cc2ccco2)c2nc3c(F)cccc3s2)nn1C 9122264 HGLUFCLZORJZRN-UHFFFAOYSA-N 370.409 3.917 0 40 FHAB C[C@@H](NC(=O)c1ccc(-n2cccc2)cc1)c1ccc(-n2cncn2)cc1 9884772 DFJBXYJLMGIHFA-MRXNPFEDSA-N 357.417 3.549 0 40 FHAB COc1ccccc1CNC(=O)CSc1ncc(-c2ccc(F)cc2)o1 10714680 WYCGTFLGJCBYCS-UHFFFAOYSA-N 372.421 3.898 0 40 FHAB O=C(CNc1cc2c(cc1Cl)OCCO2)Nc1ccccc1Cl 10856642 WISJSZPHIIMIQD-UHFFFAOYSA-N 353.205 3.815 0 40 FHAB COc1ccc(OC)c(NC(=O)[C@H](C)Sc2nc3ccccc3o2)c1 10963336 MEHSIEFBCPNACA-NSHDSACASA-N 358.419 3.964 0 40 FHAB O=C(NCCc1cnn(-c2ccccc2)c1)C1(c2ccc(Cl)cc2)CC1 11531404 LVSKSAADCBQIOG-UHFFFAOYSA-N 365.864 3.916 0 40 FHAB C[C@@H]1CN(c2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3)n2)C[C@@H](C)O1 12221176 LZJCDBPMPHZWCU-CHWSQXEVSA-N 369.856 3.801 0 40 FHAB Cc1ccc(C2=NO[C@H](CC3(C(=O)NC4CCCC4)CCOCC3)C2)cc1 12226668 JVUIACWTOFKMCT-IBGZPJMESA-N 370.493 3.734 0 40 FHAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccccc1N1CCCCC1 12528300 QPAQLMLXYAHZDM-UHFFFAOYSA-N 361.449 3.818 0 40 FHAB CCCCNC(=O)/C(=C/c1ccc(OC)c(O)c1)c1nc2ccccc2[nH]1 12559220 OMGRFYKQRQQTHB-NTCAYCPXSA-N 365.433 3.734 0 40 FHAB COc1cc(SC)ccc1C(=O)Nc1cnc2c(cnn2C(C)C)c1 12770430 SBSHHUJJOZCXAA-UHFFFAOYSA-N 356.451 3.995 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)N(C)CC(=O)Nc1cccc(F)c1 12792338 AQXKYPHKIFZSLD-UHFFFAOYSA-N 369.371 3.532 0 40 FHAB COc1ccc2cc(COC(=O)[C@H]3COc4ccccc4O3)ccc2c1 12825664 TXTMIOCFMPHDMX-HXUWFJFHSA-N 350.370 3.732 0 40 FHAB O=C1C[C@H](C(=O)OCc2cc(-c3cccs3)on2)c2ccc(F)cc2N1 12947248 CQRHNIQWZOKXSL-ZDUSSCGKSA-N 372.377 3.711 0 40 FHAB CCn1c(=O)n(CCC(=O)N[C@@H](C)c2ccc(Cl)cc2)c2ccccc21 12993533 LZKTXUDGUSYEOF-AWEZNQCLSA-N 371.868 3.744 0 40 FHAB COc1ccc(-n2nc(C)c3c(=O)cc(-c4ccccc4OC)[nH]c32)cc1 13554601 FZPQEEJSAGIBCK-UHFFFAOYSA-N 361.401 3.706 0 40 FHAB CCCCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1cccs1)C3 13634385 FPFYTBLDOMNBHP-NSHDSACASA-N 358.492 3.991 0 40 FHAB Cc1cccc(CNC(=O)c2ccc(I)cc2)c1 13668329 GFEPQYUJFBFINW-UHFFFAOYSA-N 351.187 3.530 0 40 FHAB COc1ccc2nc(-c3ccc(NC(=O)NCc4ccccc4)cc3)cn2n1 13710277 GUXQZGHCCFQOGC-UHFFFAOYSA-N 373.416 3.727 0 40 FHAB C[C@H](NC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1cccs1 14219915 SIIFEMAHHQMDDE-ZDUSSCGKSA-N 355.463 3.983 0 40 FHAB COC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 14673956 UIONPPUSASXTIW-UHFFFAOYSA-N 370.792 3.523 0 40 FHAB CCOc1ccc(C(=O)Nc2ccc3c(c2)CC(=O)N3CC)cc1OCC 17288881 JIILKUDBFKPRNP-UHFFFAOYSA-N 368.433 3.645 0 40 FHAB CCc1ccc(CNCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 17317652 PCDXHDKIOJCOGQ-UHFFFAOYSA-N 372.534 3.713 0 40 FHAB Cn1cc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2ccccc2F)n1 19290091 QFBLTAKOUSMKIS-LJQANCHMSA-N 364.424 3.989 0 40 FHAB CCn1c(C)c(C2N3CC4(C)CN2CC(CC)(C3)C4=O)c2ccccc21 19322817 QWMMTCFIMJBDET-UHFFFAOYSA-N 351.494 3.585 0 40 FHAB biogenic O=C(c1ccccc1)N1C[C@@H]2CCCCN(CCc3ccc(F)cc3)[C@@H]2C1 19368952 HZJWSSRYGCXADY-RBBKRZOGSA-N 366.480 3.995 0 40 FHAB CC1CCN([C@@H](c2cccs2)c2nnnn2Cc2ccccc2)CC1 19496826 AAFOXJMQRPXLRQ-SFHVURJKSA-N 353.495 3.604 0 40 FHAB Cc1nn(C)cc1CN1CCO[C@@H](c2ccc(-c3ccccc3F)cn2)C1 19692588 OAWPVWMRRFVHAV-OAQYLSRUSA-N 366.440 3.503 0 40 FHAB CC(C)OCCCNC(=O)c1ccc(CN2CCc3ccccc32)cc1 20111337 SEPMKDSLOAKIKU-UHFFFAOYSA-N 352.478 3.794 0 40 FHAB Cc1nn(-c2ncccn2)c2c1[C@H](c1ccc(F)cc1Cl)CC(O)=N2 20746052 BQLBXCLYPVPZQK-LBPRGKRZSA-N 357.776 3.887 0 40 FHAB CCC(=O)Nc1nc2ccc(NC(=O)COc3ccc(C)cc3)cc2s1 21595381 MBBYSFIOTAUFGR-UHFFFAOYSA-N 369.446 3.971 0 40 FHAB CC(=O)N1CCc2cc(C(=O)Nc3nc4c(s3)CCCCC4)ccc21 22326066 QJIAONSOBLCRLD-UHFFFAOYSA-N 355.463 3.573 0 40 FHAB Cc1nc2ccccc2nc1CN1CCN(Cc2ccc(Cl)cc2)CC1 22800279 KYABJUJGOCRZFE-UHFFFAOYSA-N 366.896 3.909 0 40 FHAB CCN(CC)[C@@H](CNC(=O)c1cc(C2CC2)[nH]n1)c1ccccc1Cl 23081609 LOQIQCVRUGDZGD-SFHVURJKSA-N 360.889 3.753 0 40 FHAB Cc1cc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)no1 23299358 GUZPDQWTZXXQIM-UHFFFAOYSA-N 369.343 3.620 0 40 FHAB CCCN(CCC)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 23977516 CHHQIHPHOPQQPY-UHFFFAOYSA-N 364.445 3.745 0 40 FHAB Cn1cc(/C=C/C(=O)Nc2ccccc2N2CCc3ccccc3C2)cn1 25799859 GTFYLLVGCICSSV-ZHACJKMWSA-N 358.445 3.635 0 40 FHAB CC(C)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2C)cc1 26099090 GGRUGECUWTVGRQ-UHFFFAOYSA-N 373.503 3.849 0 40 FHAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1(C)C 27025788 LNGULHBELAXTMF-IAGOWNOFSA-N 353.466 3.661 0 40 FHAB O=C(COc1ccc2c(=O)ccoc2c1)Nc1nc2ccc(F)cc2s1 27994329 MHFSYAZRISRCDR-UHFFFAOYSA-N 370.361 3.559 0 40 FHAB CC(=O)c1ccc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)cc1 29695389 PMMZFPHAKVZFJQ-UHFFFAOYSA-N 357.523 3.965 0 40 FHAB Cc1c(C(=O)N(CCC(N)=O)c2ccccc2)sc2cccc(F)c12 32841205 FZRPPHKJAPKALG-UHFFFAOYSA-N 356.422 3.871 0 40 FHAB O=C1c2ccccc2N[C@@H](C2=Cc3ccccc3OC2)N1CC(F)(F)F 32869783 SNZYPOFVVOOANQ-QGZVFWFLSA-N 360.335 3.919 0 40 FHAB CC(=O)c1c(C)nc(-c2ccco2)nc1SCC(=O)NC1CCCCC1 32902143 JNZJOQZIFWWVEU-UHFFFAOYSA-N 373.478 3.789 0 40 FHAB COc1cccc(C(=O)NCc2cccnc2Oc2cccc(F)c2)c1 32924735 TXSJPRXUSIGUGH-UHFFFAOYSA-N 352.365 3.952 0 40 FHAB NC(=O)Cn1c(S[C@H]2CCCc3ccccc32)nnc1-c1cccs1 40127868 TWQKMDDMMJTSHD-AWEZNQCLSA-N 370.503 3.662 0 40 FHAB CC(C)COc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@H](C)O3)cc1 41014525 HVTGOUXQQYSGCF-AWEZNQCLSA-N 368.433 3.717 0 40 FHAB CC(=O)Nc1cccc(NC(=O)CCc2nc(-c3cccc(C)c3)no2)c1 41184492 PEXGDMDTVOYDKE-UHFFFAOYSA-N 364.405 3.575 0 40 FHAB C[C@@H](CCN1CCN(c2ccccc2)CC1)NC(=O)CC1CCCCC1 41654848 PHGPSZDLJUMHDY-IBGZPJMESA-N 357.542 3.674 0 40 FHAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1csc(-c2cnccn2)n1 44123973 JOQUNEXXKFUCGI-UHFFFAOYSA-N 366.324 3.751 0 40 FHAB NC(=O)c1ccc(NC(=O)CN(Cc2ccccc2)C2CCCCC2)cc1 47659365 UNMMPVZTWOBNDT-UHFFFAOYSA-N 365.477 3.559 0 40 FHAB CCN(C(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21)c1ccccc1C 48230640 DDSSGMRKAHTCII-MRXNPFEDSA-N 352.434 3.552 0 40 FHAB Cc1ccc(-c2nc(CC(=O)Nc3ccc4oc(=O)ccc4c3)cs2)o1 48368308 MMXRCEXZHVCNKQ-UHFFFAOYSA-N 366.398 3.999 0 40 FHAB CN(C)C(=O)[C@H](OC(=O)c1[nH]c2ccccc2c1Cl)c1ccccc1 48375497 BAGIEOFKMVHUBK-QGZVFWFLSA-N 356.809 3.808 0 40 FHAB Cc1ccc(C)c(N2CCN([C@H](CC(C)C)c3nnnn3C(C)C)CC2)c1 57670220 PXKMUKKJRNYWNQ-HXUWFJFHSA-N 370.545 3.780 0 40 FHAB CCOC(=O)c1cc2cc(NC(=O)NCc3ccccn3)ccc2s1 57990979 SDNBKSDMGGADCB-UHFFFAOYSA-N 355.419 3.795 0 40 FHAB Cc1cc(NC(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)no1 58174513 ITWCFKHJMNCMSK-CYBMUJFWSA-N 371.372 3.584 0 40 FHAB Cc1ncc(CN(C)C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)s1 58282568 OQPYAYKDNKZHRJ-KBPBESRZSA-N 374.510 3.729 0 40 FHAB O=C(NCCc1ccn(-c2ccccc2)n1)c1ccccc1Br 58305369 KVSLELNWCSEXFS-UHFFFAOYSA-N 370.250 3.607 0 40 FHAB CSc1ccc(CNC(=O)c2ccc(-n3nc(C)c(C)c3C)nc2)cc1 62007259 RAQJWKXIDDLLFY-UHFFFAOYSA-N 366.490 3.844 0 40 FHAB COc1ccc(C)cc1NC(=O)CN1CCC[C@H]1CN(C)c1ccccc1 62582401 YUYOIWPXDDWXMQ-IBGZPJMESA-N 367.493 3.543 0 40 FHAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1ccc(-c2ccco2)[nH]c1=O 65725652 RCHQKGNXACCLFJ-UHFFFAOYSA-N 366.461 3.923 0 40 FHAB O=C(Cc1noc2ccccc12)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 66687474 BWLLYPMEKYLCOB-SFHVURJKSA-N 374.799 3.763 0 40 FHAB CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NCCCN(C)C)cc1 72037207 SXELCTHZBCFQNP-UHFFFAOYSA-N 373.522 3.805 0 40 FHAB Cc1cccc(Nc2cccc([C@@H]3CCCN3C(=O)C3CCOCC3)n2)n1 72380440 RUDFVSPPEHFYGL-SFHVURJKSA-N 366.465 3.619 0 40 FHAB O=C(c1ccc(F)c(F)c1)N1CCC(CSC2=NCCS2)CC1 75172376 ZCTXMPDXIWQMNB-UHFFFAOYSA-N 356.463 3.653 0 40 FHAB C[C@@H]1CN(c2ccc3nnc(C(F)(F)F)n3n2)CC[C@@H]1c1ccccc1 78410053 YFEBQXMVFNYELJ-OCCSQVGLSA-N 361.371 3.773 0 40 FHAB COc1ccccc1[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2C)C1 78847097 VVBKVZWAINHKNU-CQSZACIVSA-N 365.882 3.835 0 40 FHAB CCc1n[nH]c(SCC[S@@](=O)c2cc(Cl)ccc2Cl)n1 78943625 KLXXWUSMDCCHPA-FQEVSTJZSA-N 350.296 3.574 0 40 FHAB COc1cc(CN(C(=O)[C@@H](C)Cc2ccccc2F)C2CC2)ccc1O 84640769 SJOAFGSLWAHXJX-AWEZNQCLSA-N 357.425 3.910 0 40 FHAB COc1ccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)OC(C)(C)C)cc1 89661633 UOGQJDJJWKMLLI-GOSISDBHSA-N 370.449 3.770 0 40 FHAB CC(C)(C)c1ccc(NC(=O)N2CCC(Oc3cnccn3)CC2)cc1 90678109 OGAIZSLHFRJOCE-UHFFFAOYSA-N 354.454 3.849 0 40 FHAB CCCN(Cc1ccc(-c2ccc(F)cc2)s1)[C@H]1CCS(=O)(=O)C1 95982293 WNOGSOYDBFCVFW-INIZCTEOSA-N 367.511 3.953 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2F)c(F)c1 96170896 RPJXQTUFMUSNNA-UHFFFAOYSA-N 362.195 3.837 0 40 FHAB COc1cc(F)ccc1-c1ccnc2nc(Cc3ccc(F)cc3)nn12 96345348 JSVOQBKFBQKROP-UHFFFAOYSA-N 352.344 3.669 0 40 FHAB C[C@@H](C(=O)N1CCN(c2cc(-c3ccccc3)n[nH]2)CC1)c1ccccc1 98211703 LJHHLEPUKOYGGW-QGZVFWFLSA-N 360.461 3.529 0 40 FHAB CC(C)(C)OC(=O)N1CCC(N)(Cc2cccc(C(F)(F)F)c2)CC1 98213862 KPBTVQKKFONOGH-UHFFFAOYSA-N 358.404 3.976 0 40 FHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccccc1Cl 224415896 OORTZLPMBXVSPG-GFCCVEGCSA-N 354.233 3.956 0 40 FHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccc(OC)cc1 224452562 WYWBJVMEADNYGD-FQEVSTJZSA-N 357.450 3.665 0 40 FHAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccco2)c1 224517928 LEAXAVJXPCPHEP-QZTJIDSGSA-N 351.431 3.860 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1F 224740969 WEECGJCLQUDLSN-KRWDZBQOSA-N 370.468 3.620 0 40 FHAB COc1cccc(Cc2cnc([C@H]3CCN(C(=O)c4ccccc4)C3)o2)c1 257215130 COVOSWPIFZBPBZ-SFHVURJKSA-N 362.429 3.904 0 40 FHAB CCc1ccc(OCC(=O)N(C)Cc2nnc(-c3ccc(C)cc3)o2)cc1 408714012 GJQOMPYKJQSRLJ-UHFFFAOYSA-N 365.433 3.645 0 40 FHAB CCCOC(=O)c1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1 408731667 OQIFVDJAPMBSDX-BOPFTXTBSA-N 353.349 3.737 0 40 FHAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NCc5ccnn5C)(C4)C2)C3)cc1 506876449 VRRPPMBLIPECCY-YUOVDFJASA-N 363.505 3.883 0 40 FHAB Fc1cccc(Cl)c1CN=c1[nH]n2cc(-c3cccnc3)nc2s1 543899747 MSGJXMRKRUBBJU-UHFFFAOYSA-N 359.817 3.679 0 40 FHAB COc1cc(N2CCOC(C)(C)C2)ccc1N[C@@H](C)c1cc(C)nn1C 585081414 BFTLLJILPDINDJ-HNNXBMFYSA-N 358.486 3.525 0 40 FHAB CC(C)(C)N1CC[C@@H](CNC(=O)Nc2ccc(OC(F)F)cc2F)C1 585101481 XJFQRTZZJRPMFJ-NSHDSACASA-N 359.392 3.669 0 40 FHAB COC1(CCNC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)CCC1 647198038 LYECDUXATCJYKV-UHFFFAOYSA-N 365.433 3.887 0 40 FHAB O=C(c1noc2c1CCCC2)N1CCC(c2ccc3cccnc3n2)CC1 655266016 UPSBGZGWXMLHPB-UHFFFAOYSA-N 362.433 3.516 0 40 FHAB CC1(C)C[C@@]2(CCCN2C(=O)CN2CCCCC2)CN1c1cccc(F)c1 1615119046 HFXHMDSJISMWMA-QFIPXVFZSA-N 373.516 3.662 0 40 FHAB Cc1ccc(C(=O)c2ccc(CC(=O)NCc3ccc(F)cc3)n2C)cc1 1889046852 JEKWESBODDQTLA-UHFFFAOYSA-N 364.420 3.563 0 40 FHAB Cc1ncc2cncc(C3CCN(C(=O)c4cnc5ccccc5c4)CC3)n12 2037709935 PXUJLTQXRKIOSD-UHFFFAOYSA-N 371.444 3.606 0 40 FHAB Fc1ccc2nc(N3C[C@@H]4CN(c5ncccc5F)C[C@H]4C3)sc2c1 2087047077 KOBNVXIAXKRZQB-RYUDHWBXSA-N 358.417 3.542 0 40 FHAB C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCN(CCc2ccccc2)CC1 22935494 AXDBQCZCBYGCGZ-QGZVFWFLSA-N 371.912 3.527 0 40 FHAB CC[C@H](C)NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 780497 MISCDEJNRXJCNI-NSHDSACASA-N 357.281 3.760 0 40 FHAB C[C@H]1OC2(C[C@@H](OCc3ccccc3)[C@@H]1OCc1ccccc1)OCCO2 6004884 CYNNHJZSXYWLJA-DUXKGJEZSA-N 370.445 3.667 0 40 FHAB Cc1cc(C)cc(NC(=O)C2CCN(C(=O)Cc3ccccc3)CC2)c1 6419022 HHMOBLILQVEOLS-UHFFFAOYSA-N 350.462 3.723 0 40 FHAB CCCC(=O)Nc1ccc(C(=O)COC(=O)COc2cccc(C)c2)cc1 7159713 BUJWNMVRIDJASN-UHFFFAOYSA-N 369.417 3.539 0 40 FHAB Cc1cc(C)cc(N2CC[C@@H](C(=O)OCc3ncc(C(C)(C)C)o3)C2=O)c1 72282484 NCUSPCNQOGXDIE-MRXNPFEDSA-N 370.449 3.685 0 40 FHAB Cc1cccc(N2C[C@@H](C(=O)NCc3ccc(Cl)cc3)CC2=O)c1C 7608658 VKXWUYDPKJETFX-INIZCTEOSA-N 356.853 3.626 0 40 FHAB O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(F)cc1Br 54252753 HEURRERWJJCURS-UHFFFAOYSA-N 362.154 3.947 0 40 FHAB Cc1cc(C)c2c(C)c(C(=O)NC[C@@H]3COc4ccccc4O3)sc2n1 12517001 GHGFOXHXLXTUJN-CQSZACIVSA-N 368.458 3.791 0 40 FHAB COc1cccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@H](C4)[C@H]23)c1O 100872132 ZSRYUSRGJUITDT-NIXVVTAYSA-N 361.488 3.803 0 40 FHAB O=C(Nc1cccc(Cl)c1N1CCOCC1)c1c(F)cccc1F 12543573 ISCIRVILVNEVNV-UHFFFAOYSA-N 352.768 3.707 0 40 FHAB Cc1cccc(C(=O)Nc2ccc(I)cc2F)c1 9141668 CNQIBHSCSOJYNF-UHFFFAOYSA-N 355.150 3.991 0 40 FHAB COc1ccccc1N[C@@H](NC(=O)OC(C)C)C(Cl)(Cl)Cl 1893158 XTUZBRWMARMFAJ-NSHDSACASA-N 355.649 3.938 0 40 FHAB CC(C)c1ccc(NC(=O)COC(=O)c2cc(=O)c3ccccc3o2)cc1 3219370 UXZDIRDTKFFRGM-UHFFFAOYSA-N 365.385 3.712 0 40 FHAB O=C(CCc1ccccc1F)NCc1cccc(NC(=O)N2CCCC2)c1 58191135 JKDQJPNTBMXFJB-UHFFFAOYSA-N 369.440 3.702 0 40 FHAB COCCOc1c(Cl)cccc1NC(=O)/C=C/c1csc(C)n1 58209801 OVKIDWPQMCULSR-VOTSOKGWSA-N 352.843 3.782 0 40 FHAB Cc1ccsc1C(=O)OCC(=O)Nc1ccccc1Br 3228305 NXFPMMMMDBRFLY-UHFFFAOYSA-N 354.225 3.615 0 40 FHAB CCOC(=O)c1ccccc1NCc1cc(=O)oc2cc(C)c(O)cc12 2121008 PEVDOHMVTXLZDJ-UHFFFAOYSA-N 353.374 3.596 0 40 FHAB biogenic CCN(CC)C(=O)CCn1nc(-c2ccc(C)cc2)c2ccccc2c1=O 2265308 ZDKFGYWVYGWYNI-UHFFFAOYSA-N 363.461 3.630 0 40 FHAB O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1ccccc1C(F)(F)F 10900112 KHCOXVNRTLYXAO-UHFFFAOYSA-N 362.351 3.984 0 40 FHAB CC(C)[C@H]1C[C@H](NC(=O)c2cccc(OCc3cccnc3)c2)CCO1 95459005 MLKNLGPXCBEBLK-UYAOXDASSA-N 354.450 3.594 0 40 FHAB CC(=O)Nc1ccc(C(=O)NCCc2ccc(Br)s2)s1 10502945 GRUJBEZIJUOOBR-UHFFFAOYSA-N 373.297 3.503 0 40 FHAB CN(C)[C@H](CNC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1Cl 29051729 ZRRGMLOSUPIFAA-GOSISDBHSA-N 359.832 3.993 0 40 FHAB Cc1ccc(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 10326849 CKIPGELVEYGMSF-UHFFFAOYSA-N 374.506 3.697 0 40 FHAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2ccc(N3CCCC3=O)cc2)o1 29244223 VBHKQYMQWILWKJ-KDOFPFPSSA-N 352.434 3.802 0 40 FHAB CC(C)C[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCc1cccs1 2601569 YBPMLTWXKKKJQL-VMBOVVBDSA-N 350.528 3.722 0 40 FHAB CN(Cc1cccs1)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 13008188 JSZVESOAHFJJMX-UHFFFAOYSA-N 355.438 3.834 0 40 FHAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 13468165 PIOMBFGYBHQXIW-SJORKVTESA-N 361.401 3.631 0 40 FHAB C[C@@H](Sc1nnc(-c2ccncc2)n1C)C(=O)c1c[nH]c2ccccc12 6138002 IHUFDCKLOJMKFA-GFCCVEGCSA-N 363.446 3.722 0 40 FHAB CCOCc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2ccccc12 6124721 UTMPPFBEUWOLLF-UHFFFAOYSA-N 364.445 3.932 0 40 FHAB Cc1ccccc1N(CCCC(=O)Nc1c(C)cccc1C)S(C)(=O)=O 113967966 NAJJEFMWLWBUIO-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB Cc1cccc(C(NC(=O)N2CCC(CO)CC2)c2cccc(C)c2)c1 84458386 HIGHTTCQFGMQTP-UHFFFAOYSA-N 352.478 3.807 0 40 FHAB Cc1ccc(N2CC[C@@H](C(=O)NCc3cc4ccccc4o3)C2=O)cc1C 65780887 QKSUBSOVDGCFJR-IBGZPJMESA-N 362.429 3.719 0 40 FHAB CC[C@H](C(=O)Nc1cccc2cccnc12)n1nnc(-c2ccsc2)n1 14242344 ZZKGNHAXKXFYAR-OAHLLOKOSA-N 364.434 3.540 0 40 FHAB Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)Cc1c(C)noc1C 66035842 DHQBXZLOQRHZDW-CYBMUJFWSA-N 369.465 3.653 0 40 FHAB CCOc1ccc2nc(NS(=O)(=O)c3ccc(F)c(C)c3)sc2c1 4660877 CKGZUIXTKVITTQ-UHFFFAOYSA-N 366.439 3.943 0 40 FHAB COc1cccc(-c2noc(CCC(=O)Nc3cc(C)ccc3C)n2)c1 5576435 HYNYUWMZAWFDOW-UHFFFAOYSA-N 351.406 3.933 0 40 FHAB CS(=O)(=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 6649650 HEVKNQQCSGLSJX-UHFFFAOYSA-N 365.454 3.861 0 40 FHAB COC(=O)c1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2ccc(C)c(C)c2)C(=O)N1 4852873 PRCUOBUHITZXOE-DYESRHJHSA-N 366.417 3.860 0 40 FHAB COc1cc(CCC(=O)Nc2ccc3c(c2)CCC3)cc(OC)c1OC 6881146 ZMWVOFQRLFRIFJ-UHFFFAOYSA-N 355.434 3.772 0 40 FHAB Cc1oc(C)c(C(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)c1C 95377622 HCORTFHYASJGAJ-OAHLLOKOSA-N 350.459 3.724 0 40 FHAB Cc1cc(C)c2c(-c3ccccc3)nc(S[C@@H]3C[C@H](C)OC3=O)n2n1 9512648 ZQOWLVOTJICRJU-DZGCQCFKSA-N 353.447 3.809 0 40 FHAB COc1ccc(-c2noc(CCCC(=O)Nc3cccc(F)c3)n2)cc1 15669627 YARADPKSECNZEY-UHFFFAOYSA-N 355.369 3.846 0 40 FHAB Cc1ccc(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1C 9533102 INGFEHQAZXYXON-UHFFFAOYSA-N 355.419 3.786 0 40 FHAB Brc1ccc([C@H]2C[C@@H](c3cccs3)Nc3nnnn32)cc1 15866470 JVUMKBNQXMNRIY-NWDGAFQWSA-N 362.256 3.643 0 40 FHAB CCc1nc(C)c(C(=O)N[C@H](c2nc(-c3cccnc3)no2)C(C)C)s1 83830224 KDSDLDMRCYPLCA-AWEZNQCLSA-N 371.466 3.586 0 40 FHAB CC(=O)NC(C)(C)c1noc(-c2sc(-c3ccc(F)cc3)nc2C)n1 71905161 IZDMKHHLRGUSHW-UHFFFAOYSA-N 360.414 3.679 0 40 FHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Oc1ccc(C)cc1 28189567 IGPYYIOYMPIUPI-CQSZACIVSA-N 371.462 3.923 0 40 FHAB CCC[C@@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccccc1 8345179 QRUXYOQVEYNVPQ-LJQANCHMSA-N 365.477 3.648 0 40 FHAB Cc1c(-c2ccccc2)sc2ncn(CC(=O)N[C@@H](C)C(C)C)c(=O)c12 17130453 CTZSDTVZQWBRCD-AWEZNQCLSA-N 369.490 3.594 0 40 FHAB Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 8428368 GBZRRSZDJWMPFF-UHFFFAOYSA-N 372.490 3.730 0 40 FHAB Cc1noc(C)c1[C@H](C)NC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F 95421880 PGDXNCQLYFEPMG-HZMBPMFUSA-N 355.360 3.825 0 40 FHAB Cc1nc(Cc2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)cs1 26981812 OVNPOQSXMHYWTQ-UHFFFAOYSA-N 358.492 3.730 0 40 FHAB CC(C)[C@@H](NC(=O)c1cnc(-c2ccsc2)s1)c1nnc2n1CCC2 95958528 CKHIJPZKHJFTIG-CQSZACIVSA-N 373.507 3.536 0 40 FHAB COc1ccc([C@H]2C[C@@H]2C(=O)N2CCC(O)(c3ccccc3C)CC2)cc1 75148639 NBQGJAYUCBMJMV-UXHICEINSA-N 365.473 3.617 0 40 FHAB COC(=O)[C@H](Nc1nc(-c2ccncc2)nc2ccccc12)C(C)(C)C 75110065 FTGWCDIWROAHEV-INIZCTEOSA-N 350.422 3.691 0 40 FHAB O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2CN(Cc3ccco3)C[C@@H]21 306143538 YFBHLAYSUFOAED-MJGOQNOKSA-N 371.483 3.763 0 40 FHAB Cc1nn(C)c(C)c1NC(=O)c1sc2nc(C3CC3)nc(C)c2c1C 26406678 OUQWRUINPWMEIW-UHFFFAOYSA-N 355.467 3.788 0 40 FHAB C[C@@H]1CCC[C@H]2C1=NN(C(=O)c1ccccc1Cl)[C@@]2(O)C(F)(F)F 409174858 WGRJPBDCBYVECI-VPJDZLOFSA-N 360.763 3.839 0 40 FHAB Cc1cc(C)cc(C(=O)Nc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)c1 32832798 NUPICYAWBOFCBP-MRXNPFEDSA-N 362.433 3.952 0 40 FHAB CCc1ccccc1O[C@@H](C)C(=O)NCc1ccccc1-n1ccnc1C 30849391 SRBAWUSWSMKJCB-INIZCTEOSA-N 363.461 3.827 0 40 FHAB COCCN1C(=O)c2[nH]nc(-c3cccs3)c2[C@@H]1c1ccc(Cl)cc1 35170138 PAUSFWVOUUAVNI-KRWDZBQOSA-N 373.865 3.983 0 40 FHAB Cc1cccc(CN2CCCC[C@@H]2c2cc(O)nc(-c3ccccn3)n2)n1 72390512 RAIKHTGHAKEPMM-LJQANCHMSA-N 361.449 3.675 0 40 FHAB CCCOc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1OCCC 72414191 DKBSZQIQIJYXLQ-UHFFFAOYSA-N 355.500 3.685 0 40 FHAB Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCN(Cc3ccncc3)C2)n1 72345945 IJWSPPVTEOHGSZ-KRWDZBQOSA-N 363.440 3.640 0 40 FHAB CCN(CC)[C@H](C)CNC(=O)N1CCc2ccc(Cl)cc2[C@@H](C)C1 1564697668 RMKGVOPTJXLAPN-LSDHHAIUSA-N 351.922 3.742 0 40 FHAB CN(CCCNC(=O)/C=C/c1ccc(Br)o1)c1ccccc1 30014717 NVYLCXHHSGYNQL-PKNBQFBNSA-N 363.255 3.698 0 40 FHAB COCCN1C(=O)c2[nH]nc(-c3cccs3)c2[C@H]1c1ccc(Cl)cc1 35170137 PAUSFWVOUUAVNI-QGZVFWFLSA-N 373.865 3.983 0 40 FHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCc2nc(-c3cccs3)no2)c1 219304331 GGOHVRMNXIETTN-CQSZACIVSA-N 371.462 3.807 0 40 FHAB COc1ccccc1C(=O)Nc1nn(Cc2ccc(F)cc2)cc1Cl 32610026 GCJVBZDTIQUTEE-UHFFFAOYSA-N 359.788 3.985 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CSc1ccc(OC)cc1 38752250 MWAGWEYHNLAUSJ-AWEZNQCLSA-N 372.490 3.954 0 40 FHAB c1ccc(CCN2CCCC[C@H]2c2ccnc(Nc3cnccn3)n2)cc1 72377574 CACKBWCWLXHDQT-IBGZPJMESA-N 360.465 3.780 0 40 FHAB CCC(=O)Nc1c(C)c(Br)c(N)c(Br)c1C 45890800 FFYMPDRRVSEGST-UHFFFAOYSA-N 350.054 3.759 0 40 FHAB O=C(NCC1CCN(C2CCCC2)CC1)NC12CC3CC(CC(C3)C1)C2 75166840 UKVWCBQHJKCXDQ-UHFFFAOYSA-N 359.558 3.909 0 40 FHAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2cc(F)ccc2Br)C1 47415639 YLTGEQKHQFLOPE-STQMWFEESA-N 371.294 3.686 0 40 FHAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(COC(C)C)c2)c1 224427035 SETRWTSVJDTDPN-UHFFFAOYSA-N 359.422 3.890 0 40 FHAB C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1 223094944 OWLUAZJVWLJSOU-SFHVURJKSA-N 366.505 3.604 0 40 FHAB CC(C)[C@@H](NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C21CC1)c1ccc2c(c1)OCCO2 248246226 QKFWZDWPAMAVGJ-WOCWXWTJSA-N 353.462 3.873 0 40 FHAB Cc1c(Cl)cccc1N1C[C@H](C(=O)NCCCc2ccccc2)CC1=O 240627554 ADNIUHARMVORCB-QGZVFWFLSA-N 370.880 3.750 0 40 FHAB CCN1C(=O)CC[C@@H](C(=O)N(C)Cc2ccccc2)[C@@H]1c1ccccc1 257230062 GAPNDVZBENJBNX-CTNGQTDRSA-N 350.462 3.645 0 40 FHAB Cc1cc2nc([C@H]3CCCCN3C(=O)c3cc4ccccc4[nH]3)ccn2n1 257215353 CPSRNKOKUQJHPN-LJQANCHMSA-N 359.433 3.886 0 40 FHAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 253505596 XZTUSOXSLKTKJQ-IMODBZPSSA-N 374.521 3.604 0 40 FHAB biogenic,in-vitro O=C1NCCCC[C@H]1Sc1nccn1-c1ccc(C(F)(F)F)cc1 110151904 IKCRUFWRXHHJHT-CYBMUJFWSA-N 355.385 3.652 0 40 FHAB C[C@H](C(=O)NC(C)(C)c1ccccc1)n1c(S)nnc1-c1cccs1 65575549 GOANXXJHRGLLDE-GFCCVEGCSA-N 372.519 3.908 0 40 FHAB CCCO[C@@H]1CCCN(C(=O)Nc2cccc(-n3nc(C)cc3C)c2)C1 67665902 XYOYEVPOKORIQW-LJQANCHMSA-N 356.470 3.912 0 40 FHAB COc1cccc([C@H]2CN(Cc3ccccc3)[C@@H]3CCN(C(C)=O)C[C@H]23)c1 72330695 PDLGDDVLVMDJNF-DNVJHFABSA-N 364.489 3.532 0 40 FHAB O=C(NCc1nc2ccccc2n1CC1(O)CCCCC1)c1ccccc1 60569622 ZKAAISHANZDYKT-UHFFFAOYSA-N 363.461 3.662 0 40 FHAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)Cc1noc2ccccc12 40052462 CQPFYGKKIQONRZ-UHFFFAOYSA-N 370.359 3.774 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)CN(C)Cc1ccc(Br)s1 19542380 LDDDIHKKJIMYQT-DGCLKSJQSA-N 359.333 3.637 0 40 FHAB O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1cccc(C(F)(F)F)c1 60238549 OGVZPLVUKXGKOU-UHFFFAOYSA-N 359.307 3.708 0 40 FHAB CC(=O)Nc1cc(C(=O)O[C@@H](C(=O)N2CCCC[C@H]2C)C(C)C)ccc1C 95369338 ZAZPKFDCGAVQCN-DNVCBOLYSA-N 374.481 3.536 0 40 FHAB Cc1ccccc1-c1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)n1C 5859588 JCHOCQIUIBFZRH-ZBFHGGJFSA-N 358.511 3.578 0 40 FHAB Fc1ccc(CN2CCC(c3noc(-c4ccccn4)n3)CC2)c(F)c1 12668475 RPQCQRTYTPTTBA-UHFFFAOYSA-N 356.376 3.789 0 40 FHAB O=C(CCC1CCCC1)N[C@@H]1CCCc2nc(N3CCCCC3)ncc21 13265679 CPZBYVJOECWELR-GOSISDBHSA-N 356.514 3.931 0 40 FHAB COc1ccc(CCCNS(=O)(=O)Cc2c(F)cccc2Cl)cc1 13668347 QGWABFQZRYSQHI-UHFFFAOYSA-N 371.861 3.540 0 40 FHAB O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2cccc3ccccc23)CC1 14197593 SWDCTGKEJLRPFG-UHFFFAOYSA-N 374.440 3.527 0 40 FHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@@H](C)Oc2ccccc2F)c1 19078612 STLWLEFDEUNCDD-RDTXWAMCSA-N 373.424 3.974 0 40 FHAB Cc1nc2ccc(NC(=O)c3cnc(N4CCC(C)CC4)nc3)cc2s1 19286595 YFUBVPMLBSQHCB-UHFFFAOYSA-N 367.478 3.883 0 40 FHAB COc1ccc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c(OC)c1 19552288 LAHDYYNMZFHNOU-MRXNPFEDSA-N 351.450 3.960 0 40 FHAB CCC(C)(C)NC(=O)[C@@H](OC(=O)c1cccs1)c1ccc(OC)cc1 4889881 LGOVKOVRAODDLV-INIZCTEOSA-N 361.463 3.960 0 40 FHAB COc1ccc([C@@H]2[C@@H](NC(=O)CCCn3ccnc3)[C@@H]3CCCC[C@H]32)cc1 19557472 RDABXXOMZNTEKS-WKDRNLAYSA-N 367.493 3.761 0 40 FHAB Cc1ccccc1-c1nnn(-c2ncnc3sc4c(c23)CCCCC4)n1 6559147 NZOIBGLUMIYDNW-UHFFFAOYSA-N 362.462 3.911 0 40 FHAB Cn1nccc1-c1ccc(CCNC(=O)CCc2ccccc2F)cc1 1889263490 ZCLKQALIWMUXBI-UHFFFAOYSA-N 351.425 3.518 0 40 FHAB COc1ccc(S(=O)(=O)Oc2ccc(Oc3ccccn3)cc2)cc1 22844847 UGAKQLSYRXEKON-UHFFFAOYSA-N 357.387 3.650 0 40 FHAB C[C@@H](NS(=O)(=O)c1cccc(F)c1)c1ccccc1Br 33047866 DIGBCVAFRKWAAY-SNVBAGLBSA-N 358.232 3.628 0 40 FHAB COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(Cl)cc1 85413192 QZPOPJBODCSBFP-PBHICJAKSA-N 356.761 3.512 0 40 FHAB COc1ccccc1C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 4077175 CTOFVXSMGIQIHR-UHFFFAOYSA-N 351.431 3.880 0 40 FHAB COc1ccc(-c2nnc(NC(=O)CCSc3ccccc3)o2)cc1 4276107 UNIZCFOGDJTNHO-UHFFFAOYSA-N 355.419 3.866 0 40 FHAB CC(C)(C)c1ccc(OCC2CCN(C(=O)NC3CCCC3)CC2)nn1 1775966099 PHIWCIBXKSBGLR-UHFFFAOYSA-N 360.502 3.517 0 40 FHAB CN(C)c1ccc(CCCNC(=O)c2cccc(Br)c2)cc1 23001814 LHDQYFIOONVQII-UHFFFAOYSA-N 361.283 3.878 0 40 FHAB O=C(NCCc1ccc(-c2ccco2)s1)c1ccc2nsnc2c1 2086896927 ZBTNLKKKBNRFHZ-UHFFFAOYSA-N 355.444 3.985 0 40 FHAB COc1cccc(CNC(=O)c2sc(Nc3cccc(C)n3)nc2C)c1 49006131 YCEXVTMKHOZWBB-UHFFFAOYSA-N 368.462 3.837 0 40 FHAB O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H](Oc2ncccn2)C1 575611645 FHYOTWAWZABCJU-LBPRGKRZSA-N 366.343 3.571 0 40 FHAB CN1CCN(C(=O)c2ccc(Br)s2)[C@H](c2ccccc2)C1 30029252 YTQMSRKTWWQDHP-ZDUSSCGKSA-N 365.296 3.640 0 40 FHAB CCCc1noc(CCC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)n1 40060278 AHAHSCFKPXXTBW-UHFFFAOYSA-N 366.465 3.842 0 40 FHAB O=C(NCc1cccc(OCc2ccccn2)c1)c1ccnc(Cl)c1 40106888 WBVZYOHWPSINIP-UHFFFAOYSA-N 353.809 3.639 0 40 FHAB COC[C@@H](C)N(C)C(=O)CSc1cc(C)c(Br)cc1C 40145775 WEXREAIMFWAACL-GFCCVEGCSA-N 360.317 3.651 0 40 FHAB Cc1nn2c(ncc3c(=O)n(-c4ccccn4)ccc32)c1-c1ccc(F)cc1 20745815 LZQKWNPCMSJNQG-UHFFFAOYSA-N 371.375 3.543 0 40 FHAB Cc1csc(NC(=O)CN2CCC(c3c[nH]c4ccccc34)CC2)n1 32804026 UZPYTJCZFDELHJ-UHFFFAOYSA-N 354.479 3.751 0 40 FHAB CCn1c(S)nc2cc(C(=O)Nc3ccc(Cl)cc3)ccc2c1=O 102751987 VWZWYLOWAQUXQL-UHFFFAOYSA-N 359.838 3.611 0 40 FHAB O=C(COC(=O)c1cnc2ccccc2n1)Nc1cccc2ccccc12 22123260 DKVJVMXTWDNCJN-UHFFFAOYSA-N 357.369 3.579 0 40 FHAB CC(C)(C)CC(=O)NCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 53310757 SFZODALVRWATNS-HXUWFJFHSA-N 364.489 3.713 0 40 FHAB COc1ccc(C)cc1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 652950 NVDACNZZJVMNCX-UHFFFAOYSA-N 353.344 3.735 0 40 FHAB Cc1cccc(C)c1NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1 22773688 YMNJFNOTPXDPIG-KPKJPENVSA-N 363.505 3.573 0 40 FHAB COc1ccc([C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)NC(C)=O)cc1 9054396 IPIVXRWFHKWADV-QGZVFWFLSA-N 364.804 3.694 0 40 FHAB CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccccc1OC 793563 SRWMHMZSHVAGOX-UHFFFAOYSA-N 353.447 3.949 0 40 FHAB CCOc1ccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)cc1 955262 LJNNTXSQKKUBHN-UHFFFAOYSA-N 370.836 3.559 0 40 FHAB CCc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 806797 LDYYYLVTPIGHPV-MRXNPFEDSA-N 352.434 3.558 0 40 FHAB c1cncc(-c2noc(-c3ccc(-c4nc(-c5cccnc5)no4)cc3)n2)c1 1103312 SYXBKUIJUUIUBI-UHFFFAOYSA-N 368.356 3.911 0 40 FHAB O=C(CN1CCC(C(=O)c2ccccc2)CC1)Nc1ccc2c(c1)CCC2 1336991 AVGYSVIOZVFFKH-UHFFFAOYSA-N 362.473 3.709 0 40 FHAB COc1cc(C)c(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1OC 23076368 WTCRXVFCXPNEOZ-KRWDZBQOSA-N 371.433 3.822 0 40 FHAB CCOC(=O)c1c(N)n(-c2ccc(C)cc2C)c2nc3ccccc3nc12 948533 FPUKXCACZFZNBJ-UHFFFAOYSA-N 360.417 3.949 0 40 FHAB O=C(c1ccccc1Cl)N1N=C2CCCCC[C@H]2[C@]1(O)C(F)(F)F 4163598 LETUVIFYFAIFPM-ABAIWWIYSA-N 360.763 3.983 0 40 FHAB O=C(NC1CCN(c2ccccc2)CC1)N1CCC[C@H](C(F)(F)F)C1 54680045 HDEVSMMNZCQRSY-AWEZNQCLSA-N 355.404 3.639 0 40 FHAB COc1ccc(C(=O)Nc2ccc3nc(-c4cccnc4)[nH]c3c2)cc1OC 71283772 DDKDAPUQKRHTOB-UHFFFAOYSA-N 374.400 3.894 0 40 FHAB O=S1(=O)C[C@H]2[C@H]1[C@@]1(c3ccccc3)O[C@]2(c2ccccc2)c2ccccc21 4945881 OTRXFUPTBFSOCH-GPJHCHHRSA-N 374.461 3.631 0 40 FHAB O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 24079634 BFQQJLUPJKQVRP-UHFFFAOYSA-N 358.825 3.537 0 40 FHAB O=C(Nc1cccc(-n2cnnn2)c1)C1c2ccccc2Oc2ccccc21 7646253 UWUWUHIIVCJECZ-UHFFFAOYSA-N 369.384 3.539 0 40 FHAB Cc1nc(Nc2nc3ccccc3o2)ncc1C(=O)NC1CCCCC1 10157590 QZIUFOMSLQITKI-UHFFFAOYSA-N 351.410 3.732 0 40 FHAB CCCCCNC(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 10332793 HUJLARQMCYDWCI-UHFFFAOYSA-N 374.934 3.501 0 40 FHAB Cc1c([C@H](C)NC(=O)c2ccc(-n3cnc4ccccc43)cc2)cnn1C 25000274 YQRDGRBRSJLJBT-AWEZNQCLSA-N 359.433 3.558 0 40 FHAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)c1 8040798 FLUOSYFWBWCCTR-INIZCTEOSA-N 354.450 3.848 0 40 FHAB Cc1cc(OCC(=O)NCc2ccc(CN3CCCC3)cc2)ccc1Cl 8430044 DDFUCWWQDBMFPV-UHFFFAOYSA-N 372.896 3.939 0 40 FHAB COc1cc(CCc2cc(O)n3nc(-c4cccc(Cl)c4)cc3n2)on1 100776217 GLMBICMTJPFEAS-UHFFFAOYSA-N 370.796 3.537 0 40 FHAB COc1ccc(C(=O)COC(=O)CCc2nc3ccccc3s2)cc1 3254194 YOPNHJZKHXHJGW-UHFFFAOYSA-N 355.415 3.664 0 40 FHAB CC(C)=C[C@@H]1[C@H](C(=O)OCC(=O)Nc2ccc3c(c2)OCCCO3)C1(C)C 26083512 HGDAVHGONCBAEB-DNVCBOLYSA-N 373.449 3.568 0 40 FHAB O=C(Nc1cccc(OCC(F)(F)F)c1)c1ccc(NC2CC2)nc1 57208242 WQTMCPDVNMWSAV-UHFFFAOYSA-N 351.328 3.849 0 40 FHAB COc1ccccc1N1CCN(C(=O)[C@@H](C)SCc2ccccc2)CC1 20238720 GEZVKQQQLBEHBQ-QGZVFWFLSA-N 370.518 3.666 0 40 FHAB Cc1cc(=O)n(CC(=O)Nc2cc(Cl)ccc2C)c(-c2ccccc2)n1 57526404 HTOKQWGKQFZLJB-UHFFFAOYSA-N 367.836 3.819 0 40 FHAB Cc1ccc(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)nc1 10056585 JJDXNDKVJHKPDW-UHFFFAOYSA-N 359.433 3.774 0 40 FHAB Cc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 22857481 GTQKSOZGUHGQOV-UHFFFAOYSA-N 352.486 3.904 0 40 FHAB CN(Cc1nnc2ccccn12)C(=O)/C=C/c1c(Cl)cccc1Cl 58141440 QVBBVHQQWXENAH-CMDGGOBGSA-N 361.232 3.708 0 40 FHAB Cc1ccc(Cc2nnc(SCC(=O)NC3CCCCC3)o2)cc1C 20196955 IKNZGQFLWSVZBD-UHFFFAOYSA-N 359.495 3.818 0 40 FHAB CC(C)(C)OCCSc1nc2ccccc2c(=O)n1Cc1cccnc1 58245137 XAUBVGMKNHTVFM-UHFFFAOYSA-N 369.490 3.747 0 40 FHAB O=C(Cc1noc2ccccc12)NCCCCOc1ccc(Cl)cc1 12740507 HXBBGNVPYYGINU-UHFFFAOYSA-N 358.825 3.999 0 40 FHAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(N3CCCC3=O)cc2)c1 20108158 OWIIMSWPAGEPDO-UHFFFAOYSA-N 352.434 3.756 0 40 FHAB COc1cc(S(=O)(=O)NC(C)(C)CC(C)(C)C)c(OC)cc1Cl 54363245 IERJBESHUOFCIR-UHFFFAOYSA-N 363.907 3.850 0 40 FHAB CC1(C)CC(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)CC(C)(C)N1 10816650 ULAHTDWSZZPUAD-UHFFFAOYSA-N 366.509 3.789 0 40 FHAB CC(C)/N=c1/ccccn1C(=O)CCCc1nc(-c2cccs2)no1 101771928 HYVVSCJWYBMISS-CYVLTUHYSA-N 356.451 3.572 0 40 FHAB COc1ccc([C@H](O)[P@](=O)(OC(C)C)c2ccc(N(C)C)cc2)cc1 2379825 NIDVRFJAHFQOSJ-KBMIEXCESA-N 363.394 3.781 0 40 FHAB CN(Cc1ccc(F)c(F)c1)CN1N=C(c2ccc(F)cc2)CCC1=O 48340472 YBJBVUOMYLKZMJ-UHFFFAOYSA-N 361.367 3.520 0 40 FHAB Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)n[nH]2)s1 28833030 AWWKIRAIKITMMO-INIZCTEOSA-N 370.478 3.607 0 40 FHAB CCN(CC)Cc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(OC)cc1 11715950 WCRAVESHLOIEID-QGZVFWFLSA-N 370.493 3.621 0 40 FHAB CCCOc1ccc(-c2nonc2NC(=O)c2cccc(OC)c2)cc1 12062630 STXJBRNIICAJJJ-UHFFFAOYSA-N 353.378 3.786 0 40 FHAB CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1cccs1 3597715 CGZWIQWHIKYSSQ-CHWSQXEVSA-N 364.540 3.814 0 40 FHAB Cc1ccc(-c2nnc(S)n2CC(=O)N[C@H](C)c2ccccc2C)cc1 12992063 QZYVJQYQOVUJBP-OAHLLOKOSA-N 366.490 3.728 0 40 FHAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccccc2)cc1 12923257 GBSVQSACRDTREY-UHFFFAOYSA-N 354.435 3.645 0 40 FHAB CNc1snc(C)c1C(=O)N(C)Cc1ccccc1OC(F)(F)F 12980557 IJAUWCNFRITHRP-UHFFFAOYSA-N 359.373 3.664 0 40 FHAB CN1CCN(c2ccc(NC(=O)CCCSc3ccccc3)cc2)CC1 9117974 BOMFDAHXDALCMA-UHFFFAOYSA-N 369.534 3.949 0 40 FHAB O=C(Cc1ccc2ccccc2c1)N[C@H](CN1CCCC1=O)c1ccccc1 48957869 XAWOYPZWIVXYHU-JOCHJYFZSA-N 372.468 3.862 0 40 FHAB CCOc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)c(C)cc1OC 409080803 OGYVZQMNVOCIQG-WJDWOHSUSA-N 374.506 3.793 0 40 FHAB CC[C@H](C)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 4085272 HZPFSRUNQYWHBA-JBZDTAIVSA-N 373.456 3.553 0 40 FHAB biogenic CCc1ccc(OCc2nnc(NC(=O)c3ccc(OC)cc3)s2)cc1 4181161 REQCRWBDRRFISZ-UHFFFAOYSA-N 369.446 3.940 0 40 FHAB Brc1cncc(-c2nnc3sc(Cc4ccccc4)nn23)c1 13730226 BNWLVUHIPKBCCC-UHFFFAOYSA-N 372.251 3.601 0 40 FHAB Cc1ccccc1CN(C)C(=O)CSc1nnc(-c2ccccc2)n1C 6140434 GHBPSSXGRQWVAC-UHFFFAOYSA-N 366.490 3.541 0 40 FHAB COCCCNC(=O)CSc1ncnc2sc(-c3ccccc3)cc12 6114518 UPCDSSDVAMVKJQ-UHFFFAOYSA-N 373.503 3.603 0 40 FHAB CCOc1cc(C(=O)O[C@@H](C)c2nc3ccccc3n2C)ccc1OC 72310762 WLCWGSXPTFOHJP-ZDUSSCGKSA-N 354.406 3.899 0 40 FHAB CN(Cc1ccccc1N1CCOCC1)C(=O)Cc1ccc2ccccc2c1 9368585 OSZSOHFTBZVAPY-UHFFFAOYSA-N 374.484 3.878 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2ccc3c(c2)OCCCO3)c1C 6436733 AIZWJLPKKOEQIC-UHFFFAOYSA-N 359.447 3.970 0 40 FHAB COc1ccccc1CN(C)C(=O)CCC(=O)c1ccc2c(c1)CCC2 14231650 UGNFOSNWLJDMOR-UHFFFAOYSA-N 351.446 3.805 0 40 FHAB O=C(COc1ccc(-c2nc3ccccc3s2)cc1)NC[C@@H]1CCCO1 6507246 RTUOBYRDHAZJJK-INIZCTEOSA-N 368.458 3.637 0 40 FHAB O=C1CCCN1CC[C@H]1CN(Cc2ccncc2Cl)c2ccccc21 83404557 IOBLFIOUXHQYJH-HNNXBMFYSA-N 355.869 3.851 0 40 FHAB COc1ccc(-c2nonc2NC(=O)c2ccccc2Br)cc1 6747721 VUJLNQRORSRBSI-UHFFFAOYSA-N 374.194 3.760 0 40 FHAB Cn1cnnc1SCC(=O)c1c(-c2ccccc2)n(C)c2ccccc12 4840126 BNRYMGKSROJMTA-UHFFFAOYSA-N 362.458 3.949 0 40 FHAB O=C1c2ccccc2C(=O)N1Cc1ccc(Br)cc1Cl 60822812 CPSDZWUWQNPAEO-UHFFFAOYSA-N 350.599 3.899 0 40 FHAB CS(=O)(=O)Nc1ccc(C(=O)COc2cccc(Cl)c2Cl)cc1 7026081 QWYVOEHVRIPAAU-UHFFFAOYSA-N 374.245 3.627 0 40 FHAB O=C(CCc1nc(-c2ccccc2)no1)NCCc1c[nH]c2ccccc12 9419209 BUDUHEDQEMFFKV-UHFFFAOYSA-N 360.417 3.509 0 40 FHAB CC(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)s1 9512186 QTZMMGZEPPWQRR-AWEZNQCLSA-N 357.431 3.699 0 40 FHAB O=C(CSc1ccc(F)cc1F)Nc1ccc(N2CCOCC2)cc1 7906631 QPNYTPKSANBUPI-UHFFFAOYSA-N 364.417 3.532 0 40 FHAB O=C(Nc1cccc(Cl)c1F)C1CCN(C(=O)c2ccco2)CC1 8852604 SUGXBQFYJJSYRA-UHFFFAOYSA-N 350.777 3.563 0 40 FHAB O=C(NCc1ccccc1F)NC[C@H]1CCCN(Cc2cccs2)C1 72049932 RQHDAULYGMSJEG-OAHLLOKOSA-N 361.486 3.599 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)c1cn(Cc2ccccc2)nn1 25167789 IXMJPGLHMOFVGR-UHFFFAOYSA-N 356.813 3.549 0 40 FHAB O=C(CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)Nc1cccc(F)c1 409220531 BCJKNQBZLRJYCY-OVCLIPMQSA-N 374.368 3.640 0 40 FHAB Cc1cc(C(F)(F)F)nc(SCc2nc(O)c3ccccc3n2)n1 408582004 KXHBAFYKGNCOLV-UHFFFAOYSA-N 352.341 3.745 0 40 FHAB CCN(CC)[C@H]1CCN(C(=O)c2c(-n3cccc3)sc3c2CCC3)C1 533956277 JUUCHTOEDRUWSP-HNNXBMFYSA-N 357.523 3.584 0 40 FHAB O=C(Nc1nnc(SCCN2CCCCC2)s1)c1ccc(F)cc1 35316087 NRXOSAGFKVDOEY-UHFFFAOYSA-N 366.487 3.508 0 40 FHAB O=C(Nc1nc2c(s1)CCCC2)C1CN(c2nc3ccccc3s2)C1 62023088 UYKDLASMZIVLJZ-UHFFFAOYSA-N 370.503 3.707 0 40 FHAB O=C(CCc1ccc(Cl)cc1)NCc1ccccc1CN1CCCC1=O 31949944 AQQXECYPTBQHFN-UHFFFAOYSA-N 370.880 3.711 0 40 FHAB CC(C)C(=O)N1CCN(C(=O)c2sc3cc(F)ccc3c2Cl)CC1 36728514 KHUGHUBNMMPRLB-UHFFFAOYSA-N 368.861 3.634 0 40 FHAB COc1cccc(CN2C[C@H]3CCC[C@](O)(c4ccccc4OC)[C@@H]3C2)c1 72340975 HYMIIRVRJSDLIF-AAIMPIBUSA-N 367.489 3.824 0 40 FHAB COC(=O)[C@@H]1CC(=O)N(c2cccc(-c3nc4ccccc4s3)c2C)C1 45886833 NNGFQBOZYLFZBY-CYBMUJFWSA-N 366.442 3.798 0 40 FHAB CCc1cccc(C)c1NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 222454160 COFKPXFMONCKAW-UHFFFAOYSA-N 360.479 3.514 0 40 FHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCCN1CCCCCC1 223248773 MPBJWBUESNKRTF-GOSISDBHSA-N 358.526 3.715 0 40 FHAB C[C@@H](COc1ccccc1)NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 223615354 DRUQWWFXOGGDPO-IRXDYDNUSA-N 353.462 3.916 0 40 FHAB CCc1ccc(OCC(=O)Nc2cc(N)ccc2N2CCCCC2)cc1 226253205 IJZYAWDTAULMAD-UHFFFAOYSA-N 353.466 3.839 0 40 FHAB O=C(NCc1cccc(Cl)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 42646039 OIOMDYHQEKOGHG-UHFFFAOYSA-N 357.624 3.902 0 40 FHAB Cc1cc(C)n(-c2ccc(NC(=O)c3cc(-c4cccnc4)n[nH]3)cc2)n1 96118340 NVLDGVUSKJPWSX-UHFFFAOYSA-N 358.405 3.527 0 40 FHAB CC(C)N1CCC2(CC1)C[C@H](COCC1CC1)N(Cc1cccnc1)C2 96219127 DTMUPLFCPIZAFK-OAQYLSRUSA-N 357.542 3.573 0 40 FHAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3)C2=O)c1C 96583551 XIJPITHPYMDJIM-GZTJUZNOSA-N 366.442 3.978 0 40 FHAB CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H]1CCc1ccnc(C)c1 257280978 ONEBKHBIXPGPKF-GOSISDBHSA-N 354.498 3.967 0 40 FHAB Cc1ccc(S(C)(=O)=O)cc1NCc1cc(=O)oc2c(C)c(C)ccc12 26781969 NASLDSMVPCPWLS-UHFFFAOYSA-N 371.458 3.734 0 40 FHAB Cc1cc2c(c(=O)n1Cc1ccncc1)C=C1COc3ccccc3[C@H]1O2 257286116 PKIXBDADAQCNKN-NRFANRHFSA-N 358.397 3.510 0 40 FHAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(Cc4cccnc4)[C@@H]3C[C@H]21 257264819 LWCHUOGYYGISRH-UKAVVXHISA-N 350.462 3.973 0 40 FHAB C[C@@H]1C[C@@H](NC[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c2nccn21 624107692 UDECOGLRKSGOMJ-MAODMQOUSA-N 372.472 3.876 0 40 FHAB COc1cc(S(=O)(=O)NC(C)(C)CCC(C)(C)C)c(OC)cc1C 584906185 HTMKSYFMALZPOE-UHFFFAOYSA-N 357.516 3.895 0 40 FHAB Cc1ccccc1CN1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 58288925 XTYXKQHBBHNPAC-GOSISDBHSA-N 362.477 3.924 0 40 FHAB Cc1cc(C(=O)O[C@@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc2n1 5356627 KMOXNHISFAWTLR-YEWWUXTCSA-N 354.450 3.783 0 40 FHAB COc1c(Cl)cc(C(=O)NC(=S)Nc2cccnc2)cc1Cl 5570054 GUKXDROSTJUGGO-UHFFFAOYSA-N 356.234 3.524 0 40 FHAB CCN(CC)C(=O)CN1CCC2(C=Cc3cc(Cl)c(C)cc3O2)CC1 12187973 CAEFYDCEKJPVCP-UHFFFAOYSA-N 362.901 3.757 0 40 FHAB COCCn1cc(C(=O)N[C@H](C)c2ccc(OC)c(F)c2)c2ccccc21 19458666 LLZFLDNNHJJXRI-CQSZACIVSA-N 370.424 3.926 0 40 FHAB Cc1nc(C)c(CC(=O)Nc2ccccc2Sc2ccccc2)c(=O)[nH]1 19937500 AAWWGTAAOXLOQO-UHFFFAOYSA-N 365.458 3.719 0 40 FHAB CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2c(F)cccc2F)cc1 7255348 WLYCAMUCDZTATH-DHZHZOJOSA-N 361.344 3.559 0 40 FHAB CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1 17590298 JWFWBXYAVBQANU-UHFFFAOYSA-N 372.471 3.607 0 40 FHAB Cc1cc(C)c2cc(C(=O)N3CCC[C@](CO)(c4ccccc4)C3)[nH]c2c1 513110596 QTBMPWRSBOSROD-QHCPKHFHSA-N 362.473 3.951 0 40 FHAB CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(C(N)=O)c1 643230934 RZHSVTLUSAECJJ-INIZCTEOSA-N 364.804 3.620 0 40 FHAB CC(=O)Nc1ccc(SCC(=O)NCCSCc2ccccc2)cc1 18149954 TVPYIDOSEFLSNU-UHFFFAOYSA-N 374.531 3.787 0 40 FHAB O=C(CCc1ccc(-c2ccccc2)o1)OCc1cc(=O)n2ccccc2n1 18354600 WGLIJOCPLSMYMP-UHFFFAOYSA-N 374.396 3.631 0 40 FHAB O=C(Nc1nnc(Cc2ccccc2)s1)c1cccc(OC(F)F)c1 6334420 LCJRZHAFLWDHKT-UHFFFAOYSA-N 361.373 3.983 0 40 FHAB Cc1cc(C)c(N2C(=O)[C@H]3[C@@H]4CC(=O)[C@H](c5ccccc54)[C@@H]3C2=O)c(C)c1 100047766 VWJPUFXKYFMOKC-GTAWCEEGSA-N 359.425 3.571 0 40 FHAB COc1ccc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2OC)cc1 4033135 PXZGCLQDYKZJKU-UHFFFAOYSA-N 374.400 3.666 0 40 FHAB O=C(C1CCCCC1)N(c1cccc(Cl)c1)[C@@H]1C=CS(=O)(=O)C1 4165238 VZKSBVHQXXXVIL-MRXNPFEDSA-N 353.871 3.564 0 40 FHAB CCCCn1cc(S(=O)(=O)c2ccc(OC)cc2)c(=O)c2ccccc21 4193404 OXPVECIXCZWDPT-UHFFFAOYSA-N 371.458 3.643 0 40 FHAB O=C(Nc1ccc(Cl)cc1)c1cccn(Cc2ccccc2F)c1=O 5270347 RHHSXBGFKSRFSR-UHFFFAOYSA-N 356.784 3.941 0 40 FHAB Cc1ccc(-c2nc3n(c2CNC(=O)c2cccs2)CCS3)cc1 17051306 YPVWMRXRQOHWSY-UHFFFAOYSA-N 355.488 3.956 0 40 FHAB Cc1cccc([C@@H](c2sc3nc(C)nn3c2O)N2CCC[C@@H](C)C2)c1 22626076 OWEOZWPOVTUCPZ-CJNGLKHVSA-N 356.495 3.935 0 40 FHAB Cc1cccc(C2=NC3(CCN(Cc4ccccc4Cl)CC3)NC2=O)c1 35430864 OYWUMFFDZQJMQH-UHFFFAOYSA-N 367.880 3.560 0 40 FHAB Cc1c(Cl)cccc1NC(=O)C(=O)NCc1ccc(-c2ccoc2)o1 575610565 PTIXXTJAEUMDPD-UHFFFAOYSA-N 358.781 3.756 0 40 FHAB O=C(NCc1ccc(-c2cccs2)o1)C(=O)Nc1ccccc1Cl 575607839 DIDOGUTYWSZGGL-UHFFFAOYSA-N 360.822 3.916 0 40 FHAB Cc1cccn2cc(CN3CCN(Cc4c(F)cccc4Cl)CC3)nc12 22056070 ZNWIHTSACITHPZ-UHFFFAOYSA-N 372.875 3.753 0 40 FHAB CCN(CC)[C@@H](CNC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccsc1 31987887 NDNAJMQTAOCUPU-INIZCTEOSA-N 361.511 3.709 0 40 FHAB Cc1ccc(-c2nc(CC(=O)Nc3ccc4c(c3)OCCO4)cs2)o1 32815548 ZIOFTBBSHJOIBL-UHFFFAOYSA-N 356.403 3.664 0 40 FHAB CCC(CC)NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 32945339 DAWAIVBCNBWWMK-ZDUSSCGKSA-N 356.466 3.754 0 40 FHAB COc1ccc(CN(Cc2nnc(-c3ccc(OC)cc3)o2)C2CC2)cc1 22090004 MIZQUMBWEGXKCD-UHFFFAOYSA-N 365.433 3.918 0 40 FHAB Cn1ccnc1CN(C(=O)c1ccc(Br)cc1Cl)C1CC1 54039448 CPJLRTKGHQBRMG-UHFFFAOYSA-N 368.662 3.641 0 40 FHAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3ccco3)C(=O)[C@@H]12 840490 ZDDKSSYMZSIYSA-YQORSWRPSA-N 369.420 3.846 0 40 FHAB C[C@@H]1Cc2cc(-c3csc(-c4ccoc4)n3)ccc2N1S(C)(=O)=O 78526970 SUIXLDYTPVHXFC-LLVKDONJSA-N 360.460 3.781 0 40 FHAB CCOc1ccc2nc(NC(=O)[C@H](OC(C)=O)c3ccccc3)sc2c1 9015643 ULZJKDVVHINXDX-QGZVFWFLSA-N 370.430 3.938 0 40 FHAB O=c1c2ccccc2nc(-c2ccccc2)n1-c1nnc(C(F)(F)F)s1 1572107 JVVQLXZBWQTXMT-UHFFFAOYSA-N 374.347 3.923 0 40 FHAB CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2)nnc1-c1cccnc1 917238 UOEMDBLPPNBPCG-CQSZACIVSA-N 367.478 3.788 0 40 FHAB Nc1c(-c2ccc(Br)cc2)cnn1-c1ccc(C(=O)O)cc1 4290734 GKNZQLDEDRKBKQ-UHFFFAOYSA-N 358.195 3.582 0 40 FHAB COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2)ccc1OCC(C)C 6456403 RYLSRRKWKCPEHB-OAHLLOKOSA-N 371.433 3.914 0 40 FHAB CC(C)n1ncc2cc(C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)cnc21 25279896 BEPHBRKGXHGIBK-NSHDSACASA-N 355.467 3.846 0 40 FHAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NOCc1ccccc1 8096851 FGVQYYBINDNPKO-UHFFFAOYSA-N 355.825 3.755 0 40 FHAB C[C@H](CNC(=O)Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1 44141387 YFCFOLRFOAYEFU-MRXNPFEDSA-N 351.450 3.848 0 40 FHAB O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)NC1CCCC1 57487303 SURTXOLZGZLNNJ-UHFFFAOYSA-N 370.840 3.917 0 40 FHAB O=C(Nc1ccc(Oc2cnccn2)cc1)c1ccccc1-n1cccn1 44553296 FYCHIDUZHZPSID-UHFFFAOYSA-N 357.373 3.707 0 40 FHAB Cc1ccc2c(CC(=O)Nc3ccc(C)c(NS(C)(=O)=O)c3)coc2c1 58099065 YYFLCFAOAJRZIZ-UHFFFAOYSA-N 372.446 3.602 0 40 FHAB Cc1cccc(OCCNC(=O)N[C@H](C)c2nc(-c3ccccc3)c[nH]2)c1 58066626 QJQVXJYEUVGKSM-MRXNPFEDSA-N 364.449 3.824 0 40 FHAB CCOc1ccc([C@H](NC(=O)NCCN(CC)CC)c2ccccc2)cc1 58209393 KLUQLANDHKQZHD-OAQYLSRUSA-N 369.509 3.816 0 40 FHAB CC[C@@H](C(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1)c1ccccc1 58210092 WTKILMVLIOIWSX-HXUWFJFHSA-N 356.510 3.677 0 40 FHAB C[C@H]1CCCCN1CCCCNC(=O)Nc1ccccc1-n1cccn1 48148723 VAVBOVYGYDPPMC-KRWDZBQOSA-N 355.486 3.648 0 40 FHAB O=C(CNc1ccc(OC(F)(F)F)cc1)N1CCc2ccccc2C1 58337622 YEXMNUZNBVPDAC-UHFFFAOYSA-N 350.340 3.582 0 40 FHAB CCN(Cc1ccc(OC)c(F)c1)Cc1nc(-c2cccc(OC)c2)no1 36396104 LDRFVXFOVCFYKT-UHFFFAOYSA-N 371.412 3.915 0 40 FHAB Cc1cc(NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2)C(C)C)ccc1O 95430593 OJOWKBFFBHKNQX-QGZVFWFLSA-N 360.841 3.747 0 40 FHAB COc1cc(OC)nc(NC(=O)CSc2cc(Cl)ccc2Cl)n1 11288501 GYFVFLHGZVYXFA-UHFFFAOYSA-N 374.249 3.531 0 40 FHAB CCCn1nc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)ccc1=O 3344315 DYOULKCGRHVBHG-UHFFFAOYSA-N 374.872 3.549 0 40 FHAB Cc1csc(SCC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)n1 11578436 YCNQOCWAFVYAMT-UHFFFAOYSA-N 362.455 3.816 0 40 FHAB Cc1ccccc1Nc1oc2c(c1-c1ccccc1)c(=O)n(C)c(=O)n2C 11614575 NKAIBARSIOHSFJ-UHFFFAOYSA-N 361.401 3.549 0 40 FHAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 45988427 NMJFUISQLISYSU-APWZRJJASA-N 373.497 3.639 0 40 FHAB CCOc1cc2c(cc1N[C@@H](C)C(=O)NCc1cccs1)O[C@@H](C)C2 12807691 QSWWQDHSSBCMKO-STQMWFEESA-N 360.479 3.587 0 40 FHAB O=C(c1ccccc1Oc1ccccc1)N1CCN(c2nccs2)CC1 29656996 VGRLKYLERRDGPA-UHFFFAOYSA-N 365.458 3.898 0 40 FHAB O=C(c1ccnc(N2CCc3ccccc3C2)c1)N1CCc2ccccc2C1 12813563 CZUTWEAOMZMKHS-UHFFFAOYSA-N 369.468 3.843 0 40 FHAB CCN(CC)C(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 2627292 LKWNKHJGYWOMLE-UHFFFAOYSA-N 368.458 3.989 0 40 FHAB C[C@@H](Oc1ccccc1F)c1nnc(S[C@@H](C(N)=O)c2ccccc2)o1 12949529 XOZINTIMACFSQJ-IAQYHMDHSA-N 373.409 3.667 0 40 FHAB O=C(NC1CC1)c1ccc(NC(=O)c2ccccc2Br)cc1 12912139 LUDXTEOACSWWNT-UHFFFAOYSA-N 359.223 3.594 0 40 FHAB O=C(COC(=O)Cc1ccc(Cl)cc1)NCc1ccc(F)cc1Cl 72333753 GOBWKLYJXUYICL-UHFFFAOYSA-N 370.207 3.535 0 40 FHAB COC(=O)Nc1ccc(NC(=O)c2ccc(OC3CCCC3)nc2)cc1 96005628 VINLIULYDBQKGM-UHFFFAOYSA-N 355.394 3.834 0 40 FHAB CN(C[C@H]1CCCC[C@H]1O)C(=O)c1cn(-c2ccccc2)nc1C(C)(C)C 97233347 NOABGILNOSGZAO-VQIMIIECSA-N 369.509 3.793 0 40 FHAB COc1ccc(Cc2nn3c(-c4cc(F)ccc4F)nnc3s2)cc1 13624634 KGCVCHQWJQOJBD-UHFFFAOYSA-N 358.373 3.730 0 40 FHAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)Cc1ccsc1 6085618 DDYCQEKMJLUAPB-UHFFFAOYSA-N 350.871 3.740 0 40 FHAB COc1ccccc1N1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 5094623 JUQYJDMRZSHRQX-UHFFFAOYSA-N 370.518 3.988 0 40 FHAB CC[C@]1(C)Cc2ccccc2-c2nc(NN)n(-c3ccc(C)cc3)c(=O)c21 5066214 QEVMPHJXKSCLOY-JOCHJYFZSA-N 360.461 3.717 0 40 FHAB COc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 4385089 XOLKPKDNECLPAQ-ZDUSSCGKSA-N 358.825 3.649 0 40 FHAB Cc1cccc(-c2nnc(SCC(=O)N3[C@@H](C)CCC[C@H]3C)n2C)c1 9366203 GLDCCAGJMLEKEM-GASCZTMLSA-N 358.511 3.672 0 40 FHAB O=c1c2cc(-c3ccccc3)sc2ncn1Cc1ccc2c(c1)OCO2 5320076 QQJDHHOBMBUEKL-UHFFFAOYSA-N 362.410 3.902 0 40 FHAB CCCC[C@H](CC)CNC(=O)[C@H](C(=O)c1ccccc1)n1ccccc1=O 4548294 QQADIGBZXCAATD-PXNSSMCTSA-N 368.477 3.605 0 40 FHAB COc1ccc(OCc2nn3c(-c4cccc(C)c4)nnc3s2)cc1 4511665 GHVQMTMATBYQPL-UHFFFAOYSA-N 352.419 3.749 0 40 FHAB C[C@H]1CCCN(c2cnn(Cc3ccccc3Cl)c(=O)c2Cl)C1 6670442 YHQAVAQYPKKWJI-LBPRGKRZSA-N 352.265 3.835 0 40 FHAB COC(=O)COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1 14897410 OWVUHZXIZQKBSL-UHFFFAOYSA-N 353.296 3.779 0 40 FHAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)Cc1c[nH]c2ccccc12 6882274 JNNUYTPSHISPKD-UHFFFAOYSA-N 350.418 3.530 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)c1 6811391 CRQMNUALADXROT-UHFFFAOYSA-N 353.374 3.679 0 40 FHAB CCOC(=O)c1sc2cccc(F)c2c1CSc1nncn1C 6848885 PJMWTZVVPUCHGB-UHFFFAOYSA-N 351.428 3.638 0 40 FHAB CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@@H]1c1cccc(F)c1F 6820065 JATURJYBOYWPHJ-CQSZACIVSA-N 351.393 3.822 0 40 FHAB COc1cc(SC)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1 4902010 IYIPWJPRUCXGOO-UHFFFAOYSA-N 358.463 3.506 0 40 FHAB COc1ccccc1C1(c2nnc(-c3ccc(F)cc3)o2)CCOCC1 71889754 KIMURSOKHBTHNE-UHFFFAOYSA-N 354.381 3.981 0 40 FHAB CN(Cc1cc(=O)n2ccsc2n1)C(c1ccccc1)c1ccccc1 7623932 KRCKOQYYPZIRBB-UHFFFAOYSA-N 361.470 3.977 0 40 FHAB C[C@H](NC(=O)[C@@H](C)NC(=O)c1ccco1)c1cc(F)c(Cl)cc1Cl 7990823 MICARWVFTOKBSQ-DTWKUNHWSA-N 373.211 3.721 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1 16467340 WLBQVWWHYUXHFU-UHFFFAOYSA-N 368.824 3.796 0 40 FHAB COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 8277162 ZYVKSSMCRGDAEO-GOSISDBHSA-N 374.440 3.518 0 40 FHAB Cc1c(O)ccc2c(CSc3nnc(C4CC4)n3C3CC3)cc(=O)oc12 17280719 GTTUBKGBZYGODL-UHFFFAOYSA-N 369.446 3.903 0 40 FHAB Cc1nc(C)c(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)s1 70690793 DJLRIJFMQVBOIK-UHFFFAOYSA-N 359.432 3.864 0 40 FHAB CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccoc3C)o2)cc1 8734203 XVXOTMXIQHLAIY-NSHDSACASA-N 371.418 3.960 0 40 FHAB C[C@H]1C[C@@H](Sc2nc(-c3ccc(Br)cc3)c[nH]2)C(=O)O1 8719973 ZKXUQITTWSLOJL-QPUJVOFHSA-N 353.241 3.635 0 40 FHAB Fc1cncc(N2CCCN(Cc3csc(-c4ccco4)n3)CC2)c1 89797980 AGDQACRWROPNRG-UHFFFAOYSA-N 358.442 3.650 0 40 FHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2C)c1 26527823 CEHVYCRWCSMXSO-UHFFFAOYSA-N 374.245 3.889 0 40 FHAB Cc1ccccc1-c1noc(C)c1C(=O)N1CC(=O)N(C)c2ccccc21 558835283 PZRKLIRZKVFAGE-UHFFFAOYSA-N 361.401 3.582 0 40 FHAB Cc1cccc2nc(C(=O)Nc3ccnn3Cc3ccccc3Cl)cn12 23272738 GIGKHLXOQVOAQA-UHFFFAOYSA-N 365.824 3.793 0 40 FHAB CC(C)c1nccn1-c1cncc([C@@H]2CCCN2C(=O)C2CCCC2)n1 72378515 QNYJGBGIQVAGTR-KRWDZBQOSA-N 353.470 3.639 0 40 FHAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)N3CCCCCC3)C(=O)[C@@H]2C1 408686749 SSKJAZHDOKFXJS-FUHWJXTLSA-N 366.461 3.549 0 40 FHAB CS(=O)(=O)[C@@H]1CCCN(CC(c2ccccc2)c2ccccc2)CC1 513521669 UEUASHVUVYRDCD-HXUWFJFHSA-N 357.519 3.718 0 40 FHAB COc1cc2c(cc1OC)[C@@H](c1cc(C)no1)N(C(=O)C1CCCC1)CC2 72342691 BKVMZKLRZZJNDW-FQEVSTJZSA-N 370.449 3.665 0 40 FHAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)[C@H](C)Oc2cccc(Cl)c2)C1 216324801 IQZFMELLLJIXEM-XHSDSOJGSA-N 352.906 3.592 0 40 FHAB COc1cc(NC(=S)NC(=O)c2cccc(F)c2)c(OC)cc1Cl 408618603 DNOSQJZTJKCFOR-UHFFFAOYSA-N 368.817 3.623 0 40 FHAB O=C(Nc1ccccc1F)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1 75165252 IYDCJRUQQNBNIT-VIFPVBQESA-N 358.295 3.639 0 40 FHAB CC(C)(C)C[C@@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1ccc(F)cc1 49387759 LRXGAOVDCBFYDI-GOSISDBHSA-N 371.456 3.901 0 40 FHAB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1 223884037 IVYRRSBYEOYPGT-MOPGFXCFSA-N 363.490 3.653 0 40 FHAB CN(c1ccccc1C(=O)O)S(=O)(=O)c1cc(Cl)ccc1Cl 192466278 FLEIZPIGPFFTTJ-UHFFFAOYSA-N 360.218 3.517 0 40 FHAB CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1ccc(C)cc1 224465193 OMFQUYJLTZQZJK-HXUWFJFHSA-N 369.461 3.882 0 40 FHAB Cc1ccc(CN2CCC(C(=O)NCCSC3CCCC3)CC2)cc1 224176920 BHGKFDUZZCNNEQ-UHFFFAOYSA-N 360.567 3.999 0 40 FHAB CSc1ccc(S(=O)(=O)Nc2nnc(SC(C)C)s2)cc1 222958779 GSDVSRPJMNMDPX-UHFFFAOYSA-N 361.539 3.561 0 40 FHAB CN(C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1ccccc1 40141390 KGIYLDMPWXNIMR-UHFFFAOYSA-N 353.372 3.916 0 40 FHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1cc(C)ccn1 225688830 YBBMLSARGABBSW-OAHLLOKOSA-N 357.479 3.987 0 40 FHAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1nnc(-c2ccccc2)s1 225025493 AKWNIXXVICZMPY-UHFFFAOYSA-N 365.867 3.800 0 40 FHAB Cc1cccc(CNC(=O)[C@@H](C)Oc2nn(-c3ccccc3)cc2Cl)c1 227152928 AGNTZUSVAAZMBL-OAHLLOKOSA-N 369.852 3.918 0 40 FHAB Cc1cccc(CN(C(=O)Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)c1 225515045 NJJOKFLDTCBSEY-QGZVFWFLSA-N 370.468 3.619 0 40 FHAB CC(C)C(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCc1ccccc1 222911660 LGPSLJNYJQBSBU-INIZCTEOSA-N 356.441 3.515 0 40 FHAB O=C(Nc1nc2ccccc2s1)c1ccnc(O[C@@H]2CCSC2)c1 225721553 VHGWYLGGYBAEQI-GFCCVEGCSA-N 357.460 3.828 0 40 FHAB CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1)c1ccccc1 225850878 ISSPBCPEKGUKQS-MRXNPFEDSA-N 367.854 3.556 0 40 FHAB C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCCc2occc2C1 585083950 UNPVKXFZLPIRAU-CQSZACIVSA-N 369.490 3.685 0 40 FHAB O=C(NC[C@@](O)(c1ccoc1)c1cccs1)C1(c2ccc(F)cc2)CC1 238861359 KSWHUEZAXCWWCY-HXUWFJFHSA-N 371.433 3.564 0 40 FHAB CCc1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 243366168 MDEUGMACAZDIBX-UHFFFAOYSA-N 374.506 3.777 0 40 FHAB Cc1nc(C)c(CC(=O)N2C[C@H]3[C@@H](Oc4ccccc4)CC[C@H]3C2)s1 257242581 IDFDJHQCAJGKOX-JQHSSLGASA-N 356.491 3.618 0 40 FHAB Cc1nc(O)c2c(n1)C[C@H]1CC[C@@H](C2)N1Cc1ccc(OCC(C)C)cc1 257255603 KIDRPTLXTRSOTG-ZWKOTPCHSA-N 367.493 3.657 0 40 FHAB CSC1CCN(c2nnc([C@@H]3Cc4ccccc4O3)n2CC2CC2)CC1 601905959 XCDROSBLZAQXBG-SFHVURJKSA-N 370.522 3.696 0 40 FHAB Cc1oc2ccccc2c1CNc1ccc(N2CC[C@H](N(C)C)C2)cn1 1178232287 PEDVUWBMGKJYBJ-KRWDZBQOSA-N 350.466 3.889 0 40 FHAB COc1ccc(C(=O)[C@@H](C)Sc2ccc(C(=O)N3CCCC3)cn2)cc1 32789445 YGSSKTGAZGUFGK-CQSZACIVSA-N 370.474 3.690 0 40 FHAB COc1cc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)O2)cc(OC)c1OC 1515844 LCRCHHKLPAYEHK-RIYZIHGNSA-N 373.792 3.710 0 40 FHAB Cc1ccc(C)c(NC(=O)CSc2nc3sc(C)cc3c(=O)n2C)c1 5017125 OXOVWKYWSBUWQX-UHFFFAOYSA-N 373.503 3.651 0 40 FHAB CCn1c2ccccc2c2cc(NC(=O)CNC(=O)c3ccco3)ccc21 5689767 LCGGYMLKVLUTER-UHFFFAOYSA-N 361.401 3.776 0 40 FHAB C[C@@H](OC(=O)c1nc(Cl)ccc1Cl)C(=O)N[C@H]1CCCC[C@H]1C 11712564 FKHDQJUUJLDAQN-FOGDFJRCSA-N 359.253 3.629 0 40 FHAB C[C@H](C(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1)c1ccccc1 12220854 STAUYBDMTVHJSS-HNNXBMFYSA-N 362.433 3.641 0 40 FHAB CSc1nnc(S[C@@H](C(=O)N2CCCC2)c2ccccc2)s1 14136230 RBFZXEYSCSRTLQ-GFCCVEGCSA-N 351.522 3.716 0 40 FHAB COc1cc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)c(OC)cc1Cl 15970102 PDLPEPIAFOWQMZ-AWEZNQCLSA-N 361.781 3.598 0 40 FHAB CCC[C@@H](C)NC(=O)COC(=O)c1cc(C)n(Cc2ccccc2)c1C 16685145 QZMBJTGTXYIBKP-OAHLLOKOSA-N 356.466 3.615 0 40 FHAB COCCc1ncc(CN[C@@H]2[C@H]3CCCC[C@H]3[C@H]2c2ccccc2)cn1 19593868 YKSBZZSRYMGFJO-NPDDRXJXSA-N 351.494 3.728 0 40 FHAB Cn1c(=O)oc2cc(NC(=O)CC3CCN(C4CCCCC4)CC3)ccc21 19748855 NFQGYFQUPMRHMT-UHFFFAOYSA-N 371.481 3.505 0 40 FHAB Cc1cc(C)c2[nH]c(C)c(CN3CCN(c4ccccc4)CC3)c(=O)c2c1 19793692 BEVCRDPNHOIONG-UHFFFAOYSA-N 361.489 3.776 0 40 FHAB Cc1cccc2c1NCC[C@H]1CC[C@@H](CN(C(=O)C3CCCC3)C2)N1C 643578268 KYTMKFIWYTXPIB-UXHICEINSA-N 355.526 3.792 0 40 FHAB Cc1ccc(-n2nnnc2SCc2cn3cc(C)ccc3n2)c(C)c1 5253596 HUFCESOQOOYRTJ-UHFFFAOYSA-N 350.451 3.528 0 40 FHAB COc1ccc(CN(C)C(=O)c2cc(Cl)c3c(c2)OCCCO3)cc1 20919596 MMZUWHVKGPPCCV-UHFFFAOYSA-N 361.825 3.782 0 40 FHAB Cc1ccc(CNC(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)cc1 21703514 VXVICJXGLPQCSM-UHFFFAOYSA-N 369.424 3.624 0 40 FHAB CC(=O)NCCc1nc2ccccc2n1CCOc1cccc2ccccc12 2438573 USBZUQTVUPQMGZ-UHFFFAOYSA-N 373.456 3.947 0 40 FHAB Cc1ccc(NC(=O)CCn2c(=S)[nH]c3ccccc3c2=O)cc1C 2971870 HJDYIENPPPMHIQ-UHFFFAOYSA-N 353.447 3.705 0 40 FHAB Cc1cccc(NC(=O)c2cccn(Cc3cccc(F)c3)c2=O)c1C 5268814 NDUQOYWMSBTRHU-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccccc2)NC(=S)N1 5415179 SEAOPSCPAVQAPJ-GOSISDBHSA-N 351.475 3.735 0 40 FHAB O=C(Nc1nnc([C@@H]2CCCO2)o1)c1cccc(Oc2ccccc2)c1 10970969 NGAYHYPYTJUYOD-INIZCTEOSA-N 351.362 3.966 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2[C@H](C)Nc3ncnn3[C@H]2c2ccccc2)c(C)c1 11694766 JMRCVXZLNOMVQX-IPELMVKDSA-N 361.449 3.553 0 40 FHAB O=C(COc1ccc(F)cc1)Nc1sccc1-c1nc(C2CC2)no1 206890828 OIRWZAANDYMHOG-UHFFFAOYSA-N 359.382 3.832 0 40 FHAB O=C(NC[C@@H](c1cccs1)n1cccn1)c1ccc2ncsc2c1 575612530 AZZKDEDHCPCBLR-AWEZNQCLSA-N 354.460 3.574 0 40 FHAB CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)O)cc2)cc1 6563767 GHGDXMYXKNMEIP-UHFFFAOYSA-N 372.446 3.546 0 40 FHAB CC(=O)Nc1cccc([C@H](C)NC(=O)c2cc(-c3ccccc3F)on2)c1 30041761 XAEXWJOGFCHUSI-LBPRGKRZSA-N 367.380 3.930 0 40 FHAB CSc1ccccc1NS(=O)(=O)c1c(Cl)nc2ccccn12 40150892 MGLHWVUPKSUAQD-UHFFFAOYSA-N 353.856 3.510 0 40 FHAB CCc1ccc(CNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)s1 40108995 FVNMXFNZEZQQTD-ZDUSSCGKSA-N 352.500 3.574 0 40 FHAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc(=O)n(C)c1 40118664 CXIXISYUOMDFRL-UHFFFAOYSA-N 356.809 3.571 0 40 FHAB CCCCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2)cc1 31227151 FZFHRGRUUKTZIO-UHFFFAOYSA-N 350.415 3.620 0 40 FHAB CCCOc1ccccc1N1C(=O)C[C@H](Nc2ccccc2CC)C1=O 102272473 RBVNSUQLKMXYTJ-KRWDZBQOSA-N 352.434 3.782 0 40 FHAB COc1ccc(C)cc1[C@H](C)NS(=O)(=O)C1=Cc2ccccc2CC1 32811053 WGAMHUFVJYHWBC-HNNXBMFYSA-N 357.475 3.971 0 40 FHAB CC[C@@H](C)[C@@H](C(=O)Nc1ccc(N2CCOCC2)nc1)c1ccccc1 32903600 GJXBYBGRGFEREY-OXQOHEQNSA-N 353.466 3.687 0 40 FHAB CC(C)(C)c1nc2cc(NC(=O)CNC(=O)Nc3ccccc3)ccc2o1 33215983 HKMRCJSIKZDRAT-UHFFFAOYSA-N 366.421 3.886 0 40 FHAB Cn1cc(Cl)cc1C(=O)OCc1cc(Cl)c2c(c1)OCCCO2 22003247 QYIUXCRDPRVCHR-UHFFFAOYSA-N 356.205 3.850 0 40 FHAB COc1cc(C)ccc1Oc1ccc(NC(=O)/C=C/c2cnn(C)c2)cn1 41948463 SPZRVKKVSWEMHM-VMPITWQZSA-N 364.405 3.576 0 40 FHAB Cc1cc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)ccc1Oc1cccnc1 103768016 RBILLJWLJNQMFZ-LSOMNZGLSA-N 364.401 3.644 0 40 FHAB O=C(NCc1ccccc1N1CCCC1)c1nc(Cl)ccc1Cl 84504871 CRNPJULHWNAMOE-UHFFFAOYSA-N 350.249 3.919 0 40 FHAB CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccccc2)cc1 666529 GUGQNCDZLDTZBT-SFHVURJKSA-N 367.474 3.517 0 40 FHAB CCOC(=O)N[C@]1(C(Cl)(Cl)Cl)Oc2ccc(Cl)cc2O1 721020 HAURKXAZNFVGAW-LLVKDONJSA-N 361.008 3.881 0 40 FHAB Cc1cc(-n2cc(C(=O)O)c3c2[C@@H](c2ccc(Cl)cc2)CC(=O)N3)no1 61718265 YSZIZVXHBVVPDM-GFCCVEGCSA-N 371.780 3.599 0 40 FHAB CC(C)OC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)o1 875999 MSFAHGMTJCLHAQ-UHFFFAOYSA-N 350.440 3.816 0 40 FHAB Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc(O)cc1 899278 YBSNQOAWBVGSAP-UHFFFAOYSA-N 374.853 3.572 0 40 FHAB CCS(=O)(=O)c1ccc(O)c(NC(=O)Nc2cccc3ccccc23)c1 1032433 WJWLQQOUWFWOPN-UHFFFAOYSA-N 370.430 3.983 0 40 FHAB O=C(Nc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)s1)c1ccco1 23693813 PKURPRPEPQEMEO-CYBMUJFWSA-N 368.414 3.847 0 40 FHAB Cc1cc(C)n2nc(SCCCC(=O)Nc3c(C)cccc3C)nc2n1 3450051 NCKZGSJBHNKAIQ-UHFFFAOYSA-N 369.494 3.869 0 40 FHAB COc1cc2c(cc1NC(=O)[C@H](C)N1CCO[C@@H](C)C1)oc1ccccc12 24014574 WEHANCTXNQPQDZ-KBPBESRZSA-N 368.433 3.642 0 40 FHAB CCc1cccc(C)c1NC(=O)[C@H]1CCCN(c2nc(C)cc(C)n2)C1 4968004 KTRCZRPPJIOQKG-SFHVURJKSA-N 352.482 3.819 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1c(C)cc(C)cc1C 6362007 YADOPKNMSNWBAL-MRXNPFEDSA-N 374.506 3.941 0 40 FHAB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O 6654519 UYKBXEARRLBNNB-JUBDITTISA-N 372.490 3.928 0 40 FHAB CCOc1cccc(-c2nc(O)c3c(n2)Oc2c(C)cccc2C3)c1O 6748497 SGXKCYNEDXTGSO-UHFFFAOYSA-N 350.374 3.958 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C)c1C 6913898 NRIWLBZPQQXXNE-UHFFFAOYSA-N 370.453 3.969 0 40 FHAB COc1cccc(C(=O)Sc2nnc(-c3ccc(OC)cc3OC)o2)c1 7939521 DSOKWMYBRDGALS-UHFFFAOYSA-N 372.402 3.695 0 40 FHAB O=S(=O)(Nc1ccc(-n2ccnc2)cc1)c1ccccc1C(F)(F)F 24750049 NBIMMNHULLTYFN-UHFFFAOYSA-N 367.352 3.692 0 40 FHAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)Cc2ccc(Cl)cc2)c1 10112349 JEVOCEURYHNUNR-UHFFFAOYSA-N 367.854 3.767 0 40 FHAB CN1C(=O)C(C)(C)COc2cc(NC(=O)c3c(F)cccc3F)ccc21 10971816 RTYSALAHRKPESN-UHFFFAOYSA-N 360.360 3.599 0 40 FHAB Cc1cccc(C2=NN(C(=O)[C@@H]3CCCO3)[C@H](c3cccc(F)c3)C2)c1 89669276 SRZASRAURGAUFA-PMACEKPBSA-N 352.409 3.991 0 40 FHAB CC(C)NC(=O)CN(C)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 25175602 HYQNTZCJGQWZMB-UHFFFAOYSA-N 371.428 3.785 0 40 FHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@@H]1CCCC[C@@H]1C 9663039 BKVOAPNNGHBBNP-DOTOQJQBSA-N 372.538 3.676 0 40 FHAB C[C@@H](NC(=O)c1cccnc1N1CCCC1)c1ccc(OC(F)F)cc1 44619428 GERFXYDZTBHUPM-CYBMUJFWSA-N 361.392 3.774 0 40 FHAB O=C(Nc1ccnn1Cc1ccccc1)c1cc(Cl)c2c(c1)OCO2 57623938 QGIZSCPDSXYQDM-UHFFFAOYSA-N 355.781 3.566 0 40 FHAB O=C(c1cc(Cl)ccc1F)N1CCC(c2nnc3ccccn23)CC1 28737085 HDWDMLLYRRXGLV-UHFFFAOYSA-N 358.804 3.542 0 40 FHAB CC[C@H](NC(=O)Cn1nccc1-c1cccnc1)c1ccc(Cl)cc1 177486185 ZODQHBDBAIECDI-KRWDZBQOSA-N 354.841 3.866 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)NCc2nc(C)cs2)c(Br)c1 45040336 CJSKALSBLRWVMU-NSHDSACASA-N 369.284 3.606 0 40 FHAB CC(C)c1ncc(Cl)c(C(=O)NC2CCN(Cc3ccccc3)CC2)n1 58423410 RVVKHJYEFBWIGN-UHFFFAOYSA-N 372.900 3.648 0 40 FHAB CN(Cc1nc(-c2cccs2)no1)C(=O)CCCOc1ccccc1 28189643 MFGFJGXLCODCGU-UHFFFAOYSA-N 357.435 3.616 0 40 FHAB COc1ccc2ccccc2c1CNC(=O)c1c(C)nn2c(C)cc(C)nc12 95356825 PFRYUJFSQRABCH-UHFFFAOYSA-N 374.444 3.746 0 40 FHAB CCOc1ccc([C@H]2C[C@H](c3ccc(F)cc3)n3nc(N)nc3N2)cc1 2374865 XRXWNGQBTQIXHY-IAGOWNOFSA-N 353.401 3.544 0 40 FHAB Cc1nn(C)c2sc(C(=O)N(C)Cc3nc4ccccc4s3)cc12 12731666 ZQZKHMNGVFMCHK-UHFFFAOYSA-N 356.476 3.825 0 40 FHAB O=C(O)c1ccc(OC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 2368654 GEKAWNLLVQPPQC-MRXNPFEDSA-N 361.397 3.933 0 40 FHAB Cc1ccc(-n2ncc(C(=O)NCCc3ccccn3)c2C(F)(F)F)cc1 22991270 BIDKSLSSQFUTGH-UHFFFAOYSA-N 374.366 3.567 0 40 FHAB COc1ccc2cc(C(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)[nH]c2c1 29117774 PDEXTRMQSTZPET-LJQANCHMSA-N 354.381 3.529 0 40 FHAB CC(=O)N(c1nc(CSc2nnc(C)[nH]2)cs1)c1ccccc1F 11702988 JHTTXAMBJTYBMC-UHFFFAOYSA-N 363.443 3.686 0 40 FHAB Cc1nc(O)c2c(n1)C[C@H]1CC[C@H](C2)N1Cc1ccc(C(F)(F)F)cc1 100214615 SHKSJFUSVLTJGE-HUUCEWRRSA-N 363.383 3.641 0 40 FHAB COc1cccc(CN(C)CC(=O)Nc2ccc(Cl)cc2F)c1OC 3430323 VIWIOVMQCSQZDU-UHFFFAOYSA-N 366.820 3.567 0 40 FHAB O=C(COC(=O)c1ccc(F)cc1Cl)N[C@@H]1CCCc2ccccc21 3449841 NBZXSCXKSJZLNQ-QGZVFWFLSA-N 361.800 3.830 0 40 FHAB CC(C)Oc1ccc(Cl)cc1C(=O)NC[C@]1(O)CCc2ccccc21 84621988 HBEUPBMAIHAKFT-HXUWFJFHSA-N 359.853 3.691 0 40 FHAB Cc1oc(-c2cccs2)nc1COC(=O)c1ccc2c(c1)CCC(=O)N2 12915039 RFIOMMSPTJBWBI-UHFFFAOYSA-N 368.414 3.953 0 40 FHAB COc1ccc(CC(=O)Nc2ccc3[nH]c(-c4cccnc4)nc3c2)cc1 71283726 GZHYBROBLKFEQR-UHFFFAOYSA-N 358.401 3.815 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(-c2ccc(O)cc2)cc1 4220912 GWNXCMRSLSPXQR-YWZLYKJASA-N 367.445 3.911 0 40 FHAB CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 5103177 CIDYAROHOLKGDP-UHFFFAOYSA-N 369.417 3.551 0 40 FHAB COc1cc2c(c(CN(C)Cc3nc4ccccc4n3C)c1)O[C@H](C)C2 93363876 WHSFPCWNFDLWLI-CQSZACIVSA-N 351.450 3.537 0 40 FHAB COc1cccc(-c2noc(COC(=O)c3cc4c(s3)CCC4)n2)c1 5308156 VJGKCBBVOUDBCR-UHFFFAOYSA-N 356.403 3.652 0 40 FHAB CCOc1ccc(OCC(=O)Nc2ccc(NC(C)=O)c(Cl)c2)cc1 14123247 OBAVOPAUZXRFDX-UHFFFAOYSA-N 362.813 3.715 0 40 FHAB CCn1c(CCc2ccccc2)nnc1SCC(=O)Cc1ccccc1 6451389 NKBORMYXXBNVSK-UHFFFAOYSA-N 365.502 3.987 0 40 FHAB Cc1ccc(C(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)c1 4547823 HHSMDZNERGSCKN-UHFFFAOYSA-N 374.436 3.965 0 40 FHAB C[C@H]1CCCc2sc3nc(NCc4cccnc4)n4ncnc4c3c21 5516155 JDMAPSJVXZNKGK-NSHDSACASA-N 350.451 3.786 0 40 FHAB Cc1c(C)n(Cc2ccncc2)c2ncn3nc(-c4ccccc4O)nc3c12 9344251 FVLOHUNGPYUUDD-UHFFFAOYSA-N 370.416 3.512 0 40 FHAB O=C(Nc1nnc(CCCOc2ccccc2)s1)c1cccc(F)c1 4815811 MRMUJBMMIUGEKK-UHFFFAOYSA-N 357.410 3.941 0 40 FHAB CCSc1ncc(Cl)c(C(=O)Nc2cc(OC)ccc2OC)n1 6810451 ZPCGEVILLVMJFG-UHFFFAOYSA-N 353.831 3.512 0 40 FHAB Cc1nc(Cc2nnc(SCC(=O)c3ccc4c(c3)CCC4)o2)cs1 5832693 ZGOKOYAJDDYTEP-UHFFFAOYSA-N 371.487 3.889 0 40 FHAB COc1ccc(SCCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 9337846 GZQNIDYEUIJEHG-UHFFFAOYSA-N 370.474 3.708 0 40 FHAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccccc1-n1ccnc1 20044638 JRJOJECQDLNPBR-FQEVSTJZSA-N 363.461 3.963 0 40 FHAB Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)N3CCCC3)n2n1 8131350 AFICZKSFHBMXDE-UHFFFAOYSA-N 366.490 3.728 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)CN(C)Cc2ccc(Cl)s2)c1 8157939 WQOHMVPJWJNOHG-UHFFFAOYSA-N 366.870 3.567 0 40 FHAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)NCc4ccco4)cc3C2=O)c1 17304858 ZGKGQPQFGISYQK-UHFFFAOYSA-N 374.396 3.627 0 40 FHAB CCOc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(=O)[nH]1 8569325 LRAQRLXNHOKKQD-UHFFFAOYSA-N 354.431 3.817 0 40 FHAB O=C(COc1ccccc1)Nc1nn(Cc2ccc(F)cc2)cc1Cl 28305905 JRTSMYHARFFKFO-UHFFFAOYSA-N 359.788 3.741 0 40 FHAB CSc1ncc(Br)c(C(=O)Nc2ccc(Cl)cc2)n1 8915223 YDSYIBABBWPQFA-UHFFFAOYSA-N 358.648 3.867 0 40 FHAB CN(c1ccc(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)cc1F)C1CCCCC1 96998606 RYCZOQYGHOMIHY-AWEZNQCLSA-N 373.472 3.544 0 40 FHAB CCSc1nc2ccc(NC(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)cc2s1 408748500 AZQRWURIPUJMIL-FCIDVOKBSA-N 374.487 3.870 0 40 FHAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1cccc(Br)c1 408706845 FYIIJVDKXYYXTC-LBPRGKRZSA-N 355.276 3.720 0 40 FHAB CCCCc1nnc(SCC(=O)Nc2ccccc2OCC)n1CC 408561013 UYJDVGOUOLYBIX-UHFFFAOYSA-N 362.499 3.770 0 40 FHAB COc1ccc(C(=O)c2ccc(I)cc2)cc1F 35423902 YNGSWSIHTKGLMP-UHFFFAOYSA-N 356.134 3.670 0 40 FHAB C[C@@H]1CCC2=NN(C(=O)c3ccccc3Cl)[C@](O)(C(F)(F)F)[C@H]2C1 409057036 SZVRVRXHGKJCFY-BPYAMOTFSA-N 360.763 3.839 0 40 FHAB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1C 409226650 VVZPPWTTXUJWCC-WOJGMQOQSA-N 367.426 3.923 0 40 FHAB O=C(CC1(Cn2cccc2)CCCCC1)N1CC[C@@]2(O)CCCC[C@H]2C1 524733515 PUIGLWGXQPGCPF-UGKGYDQZSA-N 358.526 3.982 0 40 FHAB COc1ccc([C@H](O)CNC(=O)CCc2ccc(-c3ccccc3)o2)cc1 31582237 DMJNOQFFUXZXOU-HXUWFJFHSA-N 365.429 3.738 0 40 FHAB O=C(O)CC[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)C(=O)CCCC3)C1 1574692072 LLJDERZOSRCZDY-AWEZNQCLSA-N 358.438 3.704 0 40 FHAB Cc1ccc(CN2CCC(C(=O)NCCSCc3ccco3)CC2)cc1 39742645 OSUYNNOXMQWFIG-UHFFFAOYSA-N 372.534 3.850 0 40 FHAB Cc1ccccc1N[C@@H]1CC(=O)N(c2ccccc2Br)C1=O 36635812 MLNXZSQVFXNNKQ-CQSZACIVSA-N 359.223 3.502 0 40 FHAB CCc1ccc(NC(=O)[C@H](C)N(c2ccc(CC)cc2)S(C)(=O)=O)cc1 220265704 YEJQASDKKHATPQ-HNNXBMFYSA-N 374.506 3.605 0 40 FHAB CSc1ccc(NC(=O)[C@H](C(C)C)n2nnc(-c3ccccc3)n2)cc1 48369051 LNZGVFIXMNACAH-KRWDZBQOSA-N 367.478 3.898 0 40 FHAB COc1ccc(CNC(=S)Nc2ccc(N3CCCCCC3)nc2)cc1 223927370 GWJMGKFUMGNNSU-UHFFFAOYSA-N 370.522 3.957 0 40 FHAB CC(C)(C)c1ccc(CS(=O)(=O)CCC(=O)Nc2ccccc2)cc1 40070045 FQRHGMQOPXDXQH-UHFFFAOYSA-N 359.491 3.928 0 40 FHAB O=C(CSCc1ccccc1)OC1CN(c2nc3ccccc3s2)C1 77200623 ITDMCJUQJFZUHO-UHFFFAOYSA-N 370.499 3.962 0 40 FHAB CC(C)Oc1cccc(CNC(=O)C2(c3ccccc3)CCOCC2)c1 46664174 JAFMHZROQWZYOT-UHFFFAOYSA-N 353.462 3.838 0 40 FHAB COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COC(C)C 224427248 AHGJEMFNQQTQIK-UHFFFAOYSA-N 357.406 3.644 0 40 FHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)[nH]1 223485436 XGJPWSZRGINUKW-MOPGFXCFSA-N 363.490 3.594 0 40 FHAB Cc1ccc(C(=O)N2CC[C@]3(C[C@H]3C(=O)Nc3cccc(F)c3)C2)cc1 96227214 LTELXZDFODIDDE-RXVVDRJESA-N 352.409 3.625 0 40 FHAB O=C(COc1ccc(Cl)cc1Cl)NCC[C@@H](O)c1ccccc1 81253102 TYGPCIYJMUWMAD-OAHLLOKOSA-N 354.233 3.612 0 40 FHAB Cc1nccn1-c1ccc([C@H](C)Nc2cnn([C@H]3CCOC3)c2C)cc1 579795362 HUYLGOMUUFUJMG-LIRRHRJNSA-N 351.454 3.820 0 40 FHAB O=C(c1ccco1)N1N=C(c2ccco2)C[C@@H]1c1ccc2c(c1)OCO2 95116090 KDHXHJFEBJJLQW-CQSZACIVSA-N 350.330 3.593 0 40 FHAB Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1C 231427570 QFSWPTNPFRCRDQ-PHIMTYICSA-N 360.317 3.733 0 40 FHAB CC(C)N(CC(=O)N1CCCCCC1)C(=O)c1cc2cc(F)ccc2[nH]1 585082748 XDOONBMMSKQXFO-UHFFFAOYSA-N 359.445 3.560 0 40 FHAB O=C(Nc1cccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c1)[C@H]1CCCO1 245237304 ITAMIXQWAPNZQD-KFKAGJAMSA-N 356.466 3.599 0 40 FHAB CNC(=O)c1sc2nc([C@H]3CCCN3Cc3ccccc3)ccc2c1N 257330865 XQIQNNYQANXSIA-MRXNPFEDSA-N 366.490 3.575 0 40 FHAB CC(C)(CNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](CN)C1)C1=CCCCC1 627015516 SLOLWYIATGPJRD-UKRRQHHQSA-N 361.452 3.682 0 40 FHAB C[C@H]1CCc2[nH]nc(C(=O)N3CCc4cc(-c5ccccc5)oc4C3)c2C1 1775986952 MGVVLVGHILHMTE-AWEZNQCLSA-N 361.445 3.993 0 40 FHAB C[C@H](OC(=O)CCSc1ccccc1)C(=O)Nc1ccc(Cl)cn1 5991189 SAIKSZFUTWGING-LBPRGKRZSA-N 364.854 3.788 0 40 FHAB Cc1csc([C@H](Cc2ccsc2)NC(=O)CCn2nc(C)cc2C)n1 12227287 KYWNQBKFMSRPNB-INIZCTEOSA-N 374.535 3.817 0 40 FHAB CCCn1cc2c(C(F)(F)F)cc(N3CCC(CC(=O)O)CC3)nc2n1 12398947 MXLJVNAANVPBEM-UHFFFAOYSA-N 370.375 3.551 0 40 FHAB O=C(NCCSCc1ccccc1F)c1coc(Br)c1 12989504 DQGXQMHOQUYFBA-UHFFFAOYSA-N 358.232 3.844 0 40 FHAB Cc1ncc(-c2ccncc2)c(-c2ccc(CNC(=O)[C@H]3C[C@@H]3C)cc2)n1 13228128 MGZIKKKLFTZCRI-LIRRHRJNSA-N 358.445 3.786 0 40 FHAB CCOc1ccc(C(=O)N(CC)Cc2cc3cccc(C)c3[nH]c2=O)cc1 13479862 VLNKEPRIROUHNO-UHFFFAOYSA-N 364.445 3.898 0 40 FHAB CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO 13532428 HDIFHQMREAYYJW-IHZMKLEDSA-N 372.546 3.891 0 40 FHAB biogenic,in-vitro CC(=O)N(c1ccccc1C)[C@@H]1SC(=O)N(c2ccc(C)cc2)C1=O 16661811 CVQJQMQKLACUIS-GOSISDBHSA-N 354.431 3.882 0 40 FHAB OC1(Cn2ccc3ccncc32)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1F 19348743 BDFRTDLDWXJDAB-QIDMFYOTSA-N 365.452 3.734 0 40 FHAB COc1cc(C)ccc1OCCNC(=O)c1cc2cc(F)ccc2nc1C 19718316 DOFWQWWFGIKIDB-UHFFFAOYSA-N 368.408 3.808 0 40 FHAB CNc1ncc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4[nH]3)c2)cn1 19666047 SEUZIXSJZJBZBN-UHFFFAOYSA-N 358.405 3.622 0 40 FHAB COc1ccc(N2C3=[N+](CCCC3)[C@@H](C)[C@]2(O)c2ccc(Cl)cc2)cc1 3092955 GAIBYRYSJVLECI-BTYIYWSLSA-N 371.888 3.997 0 40 FHAB CCc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3ccccc3F)ccc12 5465158 BRIGISODUKYSIO-GFCCVEGCSA-N 355.365 3.901 0 40 FHAB C[C@H]1CCCN(C(=O)CSc2nnc(Nc3cccc(F)c3)s2)C1 7577024 CJMXRISQCRLEHA-NSHDSACASA-N 366.487 3.771 0 40 FHAB CC(C)(C)NC(=O)[C@@H]1CCN(c2ccnc3cc(C(F)(F)F)ccc23)C1 1889128329 ZXDBWMAJGCIFCQ-GFCCVEGCSA-N 365.399 3.995 0 40 FHAB Cc1nc(NC(=O)COc2ccccc2Cl)ccc1Br 6571275 OSZZNSLFBHHIAP-UHFFFAOYSA-N 355.619 3.823 0 40 FHAB Cc1ccc(Nc2nccc([C@@H]3CCCN3Cc3ccc(O)cc3)n2)nc1 2037635269 VTABYYPEGQVXFG-IBGZPJMESA-N 361.449 3.966 0 40 FHAB C[C@@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]12 100060884 BYVFOFBKVZWNOW-MPTQWLOMSA-N 371.742 3.582 0 40 FHAB Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccc(F)cc2F)n1 2476409 MLLBMHAAOHVQGC-UHFFFAOYSA-N 363.311 3.813 0 40 FHAB CCOCC(=O)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12 5035388 IQWBKUZJZIAKDO-UHFFFAOYSA-N 356.353 3.799 0 40 FHAB COCCn1cc(NC(=O)Nc2ccc(NC(C)=O)cc2)c2ccccc21 5266503 MRGFGWQIXBNRSP-UHFFFAOYSA-N 366.421 3.890 0 40 FHAB O=C(NCc1cc(-c2ccccc2F)on1)c1ccc(Br)o1 16838505 FNYVSJGDPOZBFY-UHFFFAOYSA-N 365.158 3.766 0 40 FHAB CCS(=O)(=O)N1CCCc2ccc(NC(=O)CCC3CCCC3)cc21 17316173 YCSDYRDGDVYSAO-UHFFFAOYSA-N 364.511 3.698 0 40 FHAB CCN1CCc2nc(NC(=O)c3ccc(Br)s3)sc2C1 22698989 PDCRYNWDVZUBKP-UHFFFAOYSA-N 372.313 3.597 0 40 FHAB COc1cccc(-c2nc(C(=O)N3CCCCC3)nn2-c2ccccc2)c1 13519541 NLNHUSMCSGHHJG-UHFFFAOYSA-N 362.433 3.569 0 40 FHAB O=c1c2ccccc2nc(SCc2ccccc2)n1C[C@H]1CCCO1 905645 RUVMBMKQQWWUBV-MRXNPFEDSA-N 352.459 3.868 0 40 FHAB Cn1nccc1-c1nn2c(-c3cccc(Cl)c3Cl)nnc2s1 40267359 KAJFVDNPYBPGKR-UHFFFAOYSA-N 351.222 3.560 0 40 FHAB Cc1nn(C)c(C)c1C(=O)C(=O)Nc1cc(Cl)ccc1N1CCCCC1 32902345 KSCGXELAXYMGGU-UHFFFAOYSA-N 374.872 3.502 0 40 FHAB CN1CCN(Cc2ccc(C(=O)c3ccc(C(F)(F)F)cc3)cc2)CC1 22027936 VOQJSIBEKQISJJ-UHFFFAOYSA-N 362.395 3.684 0 40 FHAB c1ccc(COc2ccccc2CNCc2cccnc2-n2cccn2)nc1 42226848 QEFVQIOXVKTVAB-UHFFFAOYSA-N 371.444 3.531 0 40 FHAB CCn1c(SCC(=O)N2CCCC[C@H]2C)nnc1-c1cccs1 779344 DXMQXCOVWIFOTI-GFCCVEGCSA-N 350.513 3.520 0 40 FHAB COc1ccccc1OCc1ccc(C(=O)Nc2ccnn2CC(C)C)o1 78795724 HXXHPNVDOQGPEL-UHFFFAOYSA-N 369.421 3.972 0 40 FHAB Cn1cc(CCCC(=O)NC2CC(C)(C)NC(C)(C)C2)c2ccccc21 79501606 NWNJCTGBSYEXAM-UHFFFAOYSA-N 355.526 3.926 0 40 FHAB CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccoc1C 4860530 RXDNGXNDYGKFMI-UHFFFAOYSA-N 372.450 3.606 0 40 FHAB S=c1[nH]ncn1NCc1ccc(-c2ccc(Br)cc2)o1 7602222 FJSQLFNHOYWNQZ-UHFFFAOYSA-N 351.229 3.707 0 40 FHAB O=C(c1cnn(-c2ccccc2)c1)N1CC=C(c2c[nH]c3ncccc23)CC1 25250157 TVYIXLOHCGSZTQ-UHFFFAOYSA-N 369.428 3.678 0 40 FHAB COc1ccc(CCNC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)cc1 3271017 NQYWXGYZAHXFKZ-UHFFFAOYSA-N 369.461 3.508 0 40 FHAB Cc1ccc2nc(C)c(C(=O)Nc3cccc(S(C)(=O)=O)c3)cc2c1 25889443 GGMBRDWEBKZCEQ-UHFFFAOYSA-N 354.431 3.507 0 40 FHAB CCCN1C(=O)CCc2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc21 9107035 LOFMJCBKARYLBH-UHFFFAOYSA-N 368.433 3.645 0 40 FHAB C[C@@H](NC(=O)Nc1ccccc1N1CCN(C)CC1)c1ccc(F)cc1F 43800746 LLHLKPDOQANCTG-CQSZACIVSA-N 374.435 3.599 0 40 FHAB Cc1c([C@@H](C)NC(=O)/C=C/c2nccs2)cnn1-c1ccc(F)cc1 56876562 LTFLPEPTSRJEDV-ABZNLYFFSA-N 356.426 3.667 0 40 FHAB O=C(CNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)NC1CCCCC1 108706148 LDQZAKZGDTXKEK-VQTJNVASSA-N 350.462 3.508 0 40 FHAB COc1cccc([C@@H](NC(=O)Nc2ccc(C)cc2)c2nccn2C)c1 9115409 WUGBRWWNMANAIK-GOSISDBHSA-N 350.422 3.648 0 40 FHAB O=C(CSc1ccc(Cl)cc1)NCc1nc(-c2ccccc2)no1 44779190 ADJFIRYTJLVGQW-UHFFFAOYSA-N 359.838 3.799 0 40 FHAB Cc1nn(-c2ccc(NC(=O)CCc3cnn(C)c3C)cc2)c(C)c1Cl 28573039 IQQPZSYXQOJVEV-UHFFFAOYSA-N 371.872 3.756 0 40 FHAB COc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(-c2cnco2)c1 48205207 CIULIDSNLZZVOC-UHFFFAOYSA-N 360.373 3.788 0 40 FHAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc3c(c2)NC(=O)CO3)c1 27580609 PAVFIYHRBDDCSP-CQSZACIVSA-N 368.433 3.855 0 40 FHAB c1ccc(Oc2ccccc2CSc2nnnn2C[C@@H]2CCCO2)cc1 12745710 KJCKRUWCTBLWBB-KRWDZBQOSA-N 368.462 3.937 0 40 FHAB COc1ccccc1/C=C1\SC(=O)N(CCOc2ccccc2)C1=O 106757660 OLOMCEDMXAEUOL-LGMDPLHJSA-N 355.415 3.811 0 40 FHAB Cc1nn(-c2ccccc2)c(Cl)c1Cn1cnc2sccc2c1=O 27856404 QJVYVBGNCDHHEL-UHFFFAOYSA-N 356.838 3.654 0 40 FHAB O=C1C[C@H](C(=O)N(Cc2ccccc2)c2ccccc2)CN1Cc1ccco1 3348685 LQKXSDJWNQKVLZ-IBGZPJMESA-N 374.440 3.862 0 40 FHAB CCOc1ccc(C(F)(F)F)cc1NCc1cc(=O)n2ccccc2n1 58394160 PFWYPSJNHZSKDC-UHFFFAOYSA-N 363.339 3.724 0 40 FHAB Cc1ccc(Nc2ccccc2NS(=O)(=O)c2cn(C)c(C)n2)cc1 58358195 MWUXGOAMSLVOSM-UHFFFAOYSA-N 356.451 3.581 0 40 FHAB O=C(Nc1ccc(Cl)cc1)c1c(O)n2c3c(cccc3c1=O)CCC2 2243869 HJQOFZZAXCJOAB-UHFFFAOYSA-N 354.793 3.559 0 40 FHAB OCCNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CCCC3 2289912 UVTGOUYVGALYRA-UHFFFAOYSA-N 366.446 3.783 0 40 FHAB CCn1nccc1CN(C)C(=O)c1ccc(COc2cc(C)ccc2C)o1 28237808 FMPAWYVJLPHQHX-UHFFFAOYSA-N 367.449 3.964 0 40 FHAB CCCOC(=O)c1c(N)n(Cc2cccs2)c2nc3ccccc3nc12 2426301 IGODAMKJNDXLHY-UHFFFAOYSA-N 366.446 3.843 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(NC(=O)C3CC3)s2)c1 11414812 PNPLOXBVYXNGQC-NSHDSACASA-N 374.462 3.605 0 40 FHAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)c2ccc(N3CCCC3=O)cc2)o1 29244238 VBHKQYMQWILWKJ-RDTXWAMCSA-N 352.434 3.802 0 40 FHAB C[C@H]1C[C@H](C)CN(C(=O)C2=Cc3cc(Br)ccc3OC2)C1 29515937 NVBOFHBDWKZEGE-RYUDHWBXSA-N 350.256 3.729 0 40 FHAB CCCn1c(C)cc(C(=O)CSc2nnc(N3CCCC3)s2)c1C 64655706 HEVVMOUGUSUCDR-UHFFFAOYSA-N 364.540 3.942 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(N2CCCC2)nc1 22391737 YCMCZZYNBGXOCV-UHFFFAOYSA-N 350.397 3.930 0 40 FHAB COc1cc(CC(=O)Nc2ccc3nc(C)sc3c2)cc(OC)c1OC 2628726 IFKJHVQVOUDHNV-UHFFFAOYSA-N 372.446 3.812 0 40 FHAB CC(C)(C)c1cc(NC(=O)CSc2nncs2)n(-c2ccccc2)n1 3413113 FPFWXDDLMKPAKW-UHFFFAOYSA-N 373.507 3.752 0 40 FHAB O=C(CSc1nncn1-c1ccccc1)Nc1ccc(F)c(Cl)c1 3543043 WLABZJPTBGZERO-UHFFFAOYSA-N 362.817 3.791 0 40 FHAB COc1cccc([C@@H](CNC(=O)Nc2ccc(C)cc2)N2CCCC2)c1 12978612 QQONMSJQNJOHTJ-HXUWFJFHSA-N 353.466 3.962 0 40 FHAB O=S(=O)(c1ccccc1)N1CCC[C@H](c2nc3ccccc3s2)C1 12983694 PEYWRBPIOMOPAK-AWEZNQCLSA-N 358.488 3.865 0 40 FHAB CC(C)(C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 13021162 OVKKDXRBBPRUMJ-UHFFFAOYSA-N 370.880 3.602 0 40 FHAB C[C@@H](CCc1cn(C)c2ccccc12)NS(=O)(=O)c1ccc(F)cc1 3765555 RDHIKQYSDVTULB-AWEZNQCLSA-N 360.454 3.617 0 40 FHAB COc1ccc2nc(SCC(=O)N[C@H]3CCCc4ccccc43)[nH]c2c1 13133141 YBUXXBLQMZRFFZ-INIZCTEOSA-N 367.474 3.857 0 40 FHAB aggregator CC(C)c1ccccc1NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 22796058 ALTJWNBPPJNPKS-HNNXBMFYSA-N 351.450 3.986 0 40 FHAB Cc1nc(C(=O)N(C)Cc2ccccc2Cl)nn1-c1ccc(F)cc1 14139986 MSCHTCFZKAPRCF-UHFFFAOYSA-N 358.804 3.640 0 40 FHAB Cc1ccc(-c2nnn(CC(=O)Nc3ccccc3-c3ccccc3)n2)cc1 5491804 RMUPHRGOHQDZAJ-UHFFFAOYSA-N 369.428 3.954 0 40 FHAB CC(=O)N1CCC(C(=O)OCc2ccc(Cl)cc2)(c2ccccc2)CC1 6561088 XHMKVTUUQXKHQF-UHFFFAOYSA-N 371.864 3.964 0 40 FHAB CCOC(=O)c1cc(C)n(CC(=O)OCc2c(F)cccc2Cl)c1C 6586196 XOLKQSXFTBHOOP-UHFFFAOYSA-N 367.804 3.818 0 40 FHAB CC1=C(C(=O)Nc2ccccc2)[C@@H](/C=C/c2ccccc2)n2ncnc2N1 6849251 OOYLGBQFZOFCPY-QFQMRYFISA-N 357.417 3.871 0 40 FHAB O=C1SCCN1CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 9516640 GYHMSGPQBCXMKL-CYBMUJFWSA-N 361.492 3.519 0 40 FHAB Cc1[nH]c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccnn3C(C)C)cc2c1C 9551664 DYDRZDZQHZHNJT-AWEZNQCLSA-N 368.437 3.746 0 40 FHAB O=C(O[C@@H](C(=O)N1CCCC1)c1ccccc1)c1nccc2ccccc12 71837429 AQPVMKNSCCYECG-HXUWFJFHSA-N 360.413 3.755 0 40 FHAB COc1ccc(OC)c(NC(=O)CN(C2CC2)[C@@H]2CCc3ccccc32)c1 67712311 KXPJRFQBRGVNMT-HXUWFJFHSA-N 366.461 3.794 0 40 FHAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1Cl 8076797 WBXCGUROOLXIBS-SFHVURJKSA-N 374.868 3.907 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1 8160851 LPGREAKDPYLYAB-JXFKEZNVSA-N 355.434 3.959 0 40 FHAB CCN(Cc1ccc(OC)c(F)c1)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 8214204 XMJSHMHYQBNGQK-AWEZNQCLSA-N 372.440 3.886 0 40 FHAB C[C@@H](Sc1ccccc1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 9709272 KZHBVWROEHKTSZ-CYBMUJFWSA-N 365.462 3.794 0 40 FHAB COc1ccc(CCNC(=O)N[C@@H](c2ccccc2)C2CC2)cc1OC 9878594 MBESTEKAXGBIKF-FQEVSTJZSA-N 354.450 3.697 0 40 FHAB O=C(Oc1ccccc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccccc1F 18148871 SNPYIURFVSWEGR-ZIAGYGMSSA-N 367.376 3.725 0 40 FHAB COC(=O)[C@@H](c1ccccc1)c1ccccc1S(=O)(=O)c1ccccc1 18194191 ADDFIXRSDYVWCK-FQEVSTJZSA-N 366.438 3.824 0 40 FHAB Cn1c(SCc2nc(-c3ccsc3)no2)nnc1-c1cccs1 8705946 ZDUUYSHFYVXWHA-UHFFFAOYSA-N 361.477 3.947 0 40 FHAB C[C@H](Oc1ccccc1Br)C(=O)Nc1nc2ccccc2n1C 28227137 HQDINVMHYJUVMZ-NSHDSACASA-N 374.238 3.742 0 40 FHAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(SC)cc2)cc1 20490478 AQKMEENWCLPHDY-CYBMUJFWSA-N 351.493 3.847 0 40 FHAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1OC 20458976 GJQQRZYSOGDPQM-RPHSKFLZSA-N 359.397 3.742 0 40 FHAB COc1ccc(-c2[nH]c(=Nc3cccc(C)c3)sc2CC(=O)O)cc1 408879615 FNFUTXPTJLUFHH-UHFFFAOYSA-N 354.431 3.920 0 40 FHAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccccc1-c1ccccc1 502661198 PAGKNVUCMWHGMP-HXUWFJFHSA-N 359.429 3.572 0 40 FHAB COc1ccc(C(=O)N2CCC[C@@H](c3oncc3-c3cc(C)no3)C2)cc1 72342354 PXMWUWVKQJUDLL-OAHLLOKOSA-N 367.405 3.666 0 40 FHAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)[C@H]1C[C@@](C)(O)[C@@H]2OC(C)=O 33789431 AQYZEWWPIBKYCF-VFPNFYTQSA-N 358.478 3.844 0 40 FHAB C[C@H](C(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2)c1)n1cccn1 32832786 NOEYMFUWUZZZTB-CYBMUJFWSA-N 368.824 3.989 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccnc(O[C@@H]2CCOC2)c1 182211466 JVUCZHDDCLJOND-CQSZACIVSA-N 352.312 3.520 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(OCc2cccnc2)cc1 32930342 WVPHOWNCCGYJTO-QGZVFWFLSA-N 362.429 3.744 0 40 FHAB CCc1noc(-c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)n1 33012605 YQRNOIHJRWRXEL-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB CC1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cccc(C(F)(F)F)c1 71979883 KCMDQYSSIMDGED-CHHLVHLRSA-N 371.355 3.537 0 40 FHAB COc1cccc2cc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)oc12 78660759 FXYVLSMRTGFCDX-GFCCVEGCSA-N 353.374 3.704 0 40 FHAB Cc1ccc(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)C)cc1 225511434 WVJYCXFXMNQJFH-LJQANCHMSA-N 366.505 3.788 0 40 FHAB CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(OC2CCCC2)cc1 45075871 RVTSPEQYJTZAOD-UHFFFAOYSA-N 374.462 3.632 0 40 FHAB Cc1ccc(OCCNC(=O)COc2ccc3c(c2)CCCC3)cc1C 225177037 QSSPOWSBYIFZGS-UHFFFAOYSA-N 353.462 3.756 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C 224267426 AQHLEGASVUYWIV-OAQYLSRUSA-N 366.505 3.789 0 40 FHAB Cc1ccc(CN(C(=O)Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)cc1 225534272 JQNGOWMJTBCFJQ-QGZVFWFLSA-N 370.468 3.619 0 40 FHAB CCCOc1ccc(NC(=O)C2(OCC)CCCC2)cc1C(=O)OCC 225828687 TTYFHWQZFVTHAY-UHFFFAOYSA-N 363.454 3.940 0 40 FHAB COc1ccc2cc(S(=O)(=O)N[C@H](C)COc3ccccc3)ccc2c1 225314716 NFTTZSQAIKBAOT-OAHLLOKOSA-N 371.458 3.594 0 40 FHAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1F 222995302 MNFUINLMAHTHNQ-KRWDZBQOSA-N 370.468 3.702 0 40 FHAB CC[C@H](NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1)c1ccccc1C 223376701 IHGISZQMAQWVEJ-SFHVURJKSA-N 361.463 3.520 0 40 FHAB O=C(Nc1cccnc1)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 77099923 QDLSQQLVTFMMFM-UHFFFAOYSA-N 373.460 3.583 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)C(C)C)cc2)cc1 225199612 JDDGAYXKGXJYRX-OAHLLOKOSA-N 360.479 3.570 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCC(C)C)c2)cc1 224261852 ZVRNQINUIZTARW-UHFFFAOYSA-N 374.506 3.596 0 40 FHAB O=C(NCC1CCN(Cc2ccsc2)CC1)Nc1ccc2c(c1)OCO2 43972205 OHMNYFIPIZRSQA-UHFFFAOYSA-N 373.478 3.511 0 40 FHAB O=C1NCCC[C@H]1Nc1ncnc2cc(-c3ccc(Cl)cc3)sc12 63993033 ABDUHSDGJQCTKX-GFCCVEGCSA-N 358.854 3.702 0 40 FHAB COc1ccc(CN2CCO[C@@]3(CCCN(c4cccc(F)c4)C3)C2)cc1 96049082 AMQPBBQEGNNAFV-QFIPXVFZSA-N 370.468 3.706 0 40 FHAB Cc1ccc(CN2CCC3(CC2)C[C@H](OCc2ccccn2)CO3)cc1 96106884 UUSNNYWNAWKXNS-NRFANRHFSA-N 352.478 3.730 0 40 FHAB O=S(=O)(Nc1cc(F)ccc1F)c1ccc(Br)c(F)c1 95067869 OLZAFIIIMLJDDU-UHFFFAOYSA-N 366.158 3.667 0 40 FHAB COc1ccc(CCCNC(=O)CSCc2ccccc2)cc1OC 149266339 YGPBJIYAKNXXJJ-UHFFFAOYSA-N 359.491 3.686 0 40 FHAB COc1cnc(NC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)cn1 585084724 AQGYOUYERBEEQD-GOSISDBHSA-N 360.417 3.665 0 40 FHAB CN(C)CC(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257297409 RHDMOWRKEJMYBG-KRWDZBQOSA-N 361.873 3.534 0 40 FHAB C[C@@H]1C[C@H](NC[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c2nccn21 624107693 UDECOGLRKSGOMJ-TYCQWZJGSA-N 372.472 3.876 0 40 FHAB O=C(c1cc(C(F)(F)F)cnc1O)N(Cc1cccc(O)c1)CC1CC1 635684115 ORDHUSJPHORKOL-UHFFFAOYSA-N 366.339 3.564 0 40 FHAB CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(C(N)=O)c1 643230935 RZHSVTLUSAECJJ-MRXNPFEDSA-N 364.804 3.620 0 40 FHAB C[C@H](Sc1nc(-c2ccc([C@H](C)O)cc2)n[nH]1)C(=O)c1ccccc1 1776005408 BHSDYDVRCGISPJ-STQMWFEESA-N 353.447 3.889 0 40 FHAB CN(C)C(=O)[C@@]12CC[C@@](C)([C@@H](OC(=O)C(Cl)(Cl)Cl)C1)C2(C)C 675030023 IJNQKVFSXCXLQQ-QCZZGDTMSA-N 370.704 3.573 0 40 FHAB O=C(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)C2CCCCC2)CC1 40121999 NQBHPUCGUBMCSF-UHFFFAOYSA-N 368.399 3.570 0 40 FHAB COC(=O)c1ccc(CNC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)cc1 40150005 SGFGNIHOJBUHDB-INIZCTEOSA-N 366.461 3.984 0 40 FHAB CC[C@H](C(=O)N1CCC(NC(=O)c2ccsc2)CC1)c1ccccc1 56468079 ZRMSSVGMMJODFT-SFHVURJKSA-N 356.491 3.663 0 40 FHAB CC[C@H](C)[C@H](Nc1ncnc2c1cnn2C(C)(C)C)C(=O)OC(C)(C)C 96011415 HGVJVMGPXAKCOV-JSGCOSHPSA-N 361.490 3.750 0 40 FHAB O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1ccc[n+]([O-])c1 42046563 LXOUOZFKQUCVHO-UHFFFAOYSA-N 363.398 3.974 0 40 FHAB O=C(c1cc(-c2ccco2)[nH]n1)N1CC(c2cccc(C(F)(F)F)c2)C1 1297880437 WVGNPFKBXQNPGF-UHFFFAOYSA-N 361.323 3.928 0 40 FHAB CCOC(=O)[C@@H](C)N[C](Cc1ccc(-c2cccc(Cl)c2)cc1)C(=O)O 1560406060 HGOZRVJRQHKCOG-CYBMUJFWSA-N 374.844 3.707 0 40 FHAB CCc1ccc(NC(=O)CSc2nc3sc(C)cc3c(=O)n2C)cc1 5017142 UDNJVFREZQGDFF-UHFFFAOYSA-N 373.503 3.597 0 40 FHAB Cc1ccc(-c2n[nH]c(SCC(=O)NCCC3=CCCCC3)n2)cc1 5866289 CQBIASDTRJNLBJ-UHFFFAOYSA-N 356.495 3.879 0 40 FHAB O=C(Nc1cnn(Cc2ccc(F)cc2)c1)[C@H]1Cc2cc(Cl)ccc2O1 12192987 SLKBVFWSQZOLCE-GOSISDBHSA-N 371.799 3.666 0 40 FHAB O=C(NC1CCCC1)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 12226187 KNKAFTXFQHHQCE-SFHVURJKSA-N 374.456 3.564 0 40 FHAB COc1ccc2nc(CN3CCC(O)(c4ccccc4F)CC3)ccc2c1 12240438 QMKAIISWBMUOPE-UHFFFAOYSA-N 366.436 3.866 0 40 FHAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1OCC 13671427 AKKMBDBWOZHLMG-ZDUSSCGKSA-N 367.442 3.663 0 40 FHAB Cc1ccc(CCCNC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 13676612 QWUPNJWGQAYQSB-UHFFFAOYSA-N 358.441 3.857 0 40 FHAB COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2c(C)n[nH]c2C)cc1 14404677 SDCSDNXWQSCPDL-UHFFFAOYSA-N 364.405 3.540 0 40 FHAB COc1ccc([C@H]2CC(=O)c3cnn(-c4ccccc4F)c3C2)cc1OC 17075204 ZVWJBGIONFYYNR-CQSZACIVSA-N 366.392 3.941 0 40 FHAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](CC(C)C)[C@@H]3C2=O)c1 18182446 KBXOHNGGERDOMT-UFYCRDLUSA-N 364.445 3.720 0 40 FHAB C[C@@H]1Cc2cc([C@H](O)CN(C)Cc3ccccc3)ccc2N1C(=O)C1CC1 19497834 DJGIJPOUZSNHIL-OPAMFIHVSA-N 364.489 3.540 0 40 FHAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)c2c(C)cc(C)[nH]c2=O)n1 19566657 CMDRVPQBMRKFKQ-CQSZACIVSA-N 373.503 3.532 0 40 FHAB CC(C)C(=O)N1CCC(c2nc(N(C)C)ncc2-c2cccc(F)c2)CC1 19694154 SJLSDIQEBIRPCU-UHFFFAOYSA-N 370.472 3.711 0 40 FHAB CCC(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2cccc(Cl)c2)C1 19694573 GOWVHBZATRUPJF-OAHLLOKOSA-N 372.900 3.979 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2nnc(SC(C)C)s2)cc1OC 7345408 HBLUHIDZVQMGSL-SOFGYWHQSA-N 365.480 3.708 0 40 FHAB CCCCCNCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 2641374 MPLGUYKURMZOQS-UHFFFAOYSA-N 369.465 3.666 0 40 FHAB COc1ccc(C)cc1NC(=O)COc1ccc(Br)cc1F 5102154 YQAWZHKCCLOVDN-UHFFFAOYSA-N 368.202 3.923 0 40 FHAB Brc1cccc(-c2nn3c(-c4ccncc4)nnc3s2)c1 1007448 WPJABYRTQZOJRT-UHFFFAOYSA-N 358.224 3.677 0 40 FHAB Cc1csc2ncc(C(=O)Nc3ccc(Cl)cc3Cl)c(=O)n12 4121166 ILURFRNUUXLXBE-UHFFFAOYSA-N 354.218 3.624 0 40 FHAB CCCCn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(C)ccc21 4193408 HXRYLRVFLXJNDY-UHFFFAOYSA-N 355.459 3.943 0 40 FHAB CCc1ccc([C@@H](c2sc3nc(CC)nn3c2O)N2CCCC2)cc1 22852976 SUTAXLAOSAOIBW-INIZCTEOSA-N 356.495 3.806 0 40 FHAB O=C(Cc1cccs1)N(CCn1cccn1)c1nc2ccccc2s1 23144702 RSLHJJKLRNHBPY-UHFFFAOYSA-N 368.487 3.830 0 40 FHAB CCOC(=O)CCC(=O)N1CCS[C@H](c2ccccc2Cl)CC1 208045765 ILCBTDRHCBXWNL-HNNXBMFYSA-N 355.887 3.690 0 40 FHAB O=C(NC[C@@H](c1cccs1)n1cccn1)c1nc2ccccc2s1 575612929 DNPHFNYRHTUSQO-ZDUSSCGKSA-N 354.460 3.574 0 40 FHAB O=C(NCc1ccc(F)cc1)NC[C@@H](O)c1ccc(-c2ccco2)cc1 585148161 SFMMRQGKKSRVHX-GOSISDBHSA-N 354.381 3.619 0 40 FHAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2cccc(O)c2)c(OC)c1 40284587 QFHIKXQFWRXOQI-HNNXBMFYSA-N 365.389 3.719 0 40 FHAB CC(C)[C@@H](C(=O)Nc1cc(Cl)ccc1O)N1Cc2ccccc2C1=O 20739003 RQXBNTUVHCEKGP-KRWDZBQOSA-N 358.825 3.665 0 40 FHAB Cc1nc(C)c2c(C)c(C(=O)NCCCOc3ccccc3F)sc2n1 32263775 LOFLAXJAVHYLSX-UHFFFAOYSA-N 373.453 3.955 0 40 FHAB O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@@H]2Nc1ccc(Cl)cc1 32603984 IBUSUGQKYYGPJD-INIZCTEOSA-N 359.857 3.795 0 40 FHAB Cc1cccc(N2C[C@@H](C(=O)Nc3cccc4cnccc34)CC2=O)c1C 21217407 RLHWQSQGTPJNIP-KRWDZBQOSA-N 359.429 3.843 0 40 FHAB C[C@H](OC(=O)c1cc(Cl)c2c(c1)OCCO2)C(=O)c1ccc(F)cc1 21499079 ZAPNCTWMHGUJJW-JTQLQIEISA-N 364.756 3.679 0 40 FHAB COC(=O)c1ccc(NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)s1 32808690 QCPUAQNHMPWZRH-UHFFFAOYSA-N 369.446 3.518 0 40 FHAB CCc1ccc(-c2cc(C(F)(F)F)nc(N3CCC(N)CC3)n2)cc1 12396826 AEVSVHOZFJMYEL-UHFFFAOYSA-N 350.388 3.652 0 40 FHAB Cc1ccc(-c2nnn(CC(=O)Nc3ccccc3-c3ccc(C)o3)n2)cc1 797037 DVDXTJKYDJDPGQ-UHFFFAOYSA-N 373.416 3.856 0 40 FHAB CCC(=O)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccco1 801976 KOKKGOPIYOJAKS-UHFFFAOYSA-N 355.221 3.964 0 40 FHAB O=C(Nc1cc(C(F)(F)F)cc(Cl)n1)[C@@H]1COc2ccccc2O1 806658 IQIQIFNGUYOPMH-NSHDSACASA-N 358.703 3.532 0 40 FHAB C[C@H]1CN(C(=O)[C@@H](C)Sc2ncc(-c3ccc(F)cc3)o2)C[C@@H](C)O1 78406930 CBNPHFNIXRKKHF-FRRDWIJNSA-N 364.442 3.597 0 40 FHAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1cc(C)nc2ccccc12 1458797 NTRXCMBSTUNHLM-LJQANCHMSA-N 350.374 3.842 0 40 FHAB CCOP(=O)(OCC)Oc1cc2c(cc1Br)OCO2 1848540 ALROGCOCZXGYAZ-UHFFFAOYSA-N 353.105 3.738 0 40 FHAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(-n3cccc3)cc2)C1 12516840 UNSLPYKDJQECHT-IBGZPJMESA-N 373.456 3.968 0 40 FHAB CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 3035111 BODQAAOPFMKZHK-QGZVFWFLSA-N 356.809 3.668 0 40 FHAB COC(=O)CSc1nnc(-c2ccoc2C)n1-c1cccc(Cl)c1 4852386 APWQEBIRRLITGH-UHFFFAOYSA-N 363.826 3.754 0 40 FHAB Cc1ccccc1OCC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 12529965 CNUVLGYVZDATIV-IBGZPJMESA-N 369.852 3.667 0 40 FHAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 6590698 VKDBPDHQEVYLGY-UHFFFAOYSA-N 354.737 3.764 0 40 FHAB Cc1ccc(-n2c(S[C@H](C)C(N)=O)nnc2-c2cccc(C)c2)cc1 6830392 VBKBMRZQRYFDJH-CQSZACIVSA-N 352.463 3.517 0 40 FHAB CC(=O)NCCc1ccc(-c2csc(N3CCC[C@@H](C)C3)n2)cc1F 55050970 ZXMXQPVGSASGQD-CYBMUJFWSA-N 361.486 3.864 0 40 FHAB CCOc1ccc(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 7882076 VTNDVRGKEMGRFI-RDJZCZTQSA-N 352.434 3.634 0 40 FHAB O=C1c2ccccc2N[C@H](C2=Cc3ccccc3OC2)N1C[C@@H]1CCCO1 8710979 NUFDSZBVNZZHNU-UWJYYQICSA-N 362.429 3.535 0 40 FHAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCCCC1 3265086 MRCGELDGLSYZOU-VAWYXSNFSA-N 358.445 3.960 0 40 FHAB Cn1cnnc1SCC(=O)Nc1ccccc1Sc1ccccc1 3225356 YLJBQDGKULIRMG-UHFFFAOYSA-N 356.476 3.697 0 40 FHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc2ccccc2cc1O 27333894 DXXJAWQSDLHVMO-SFHVURJKSA-N 350.418 3.705 0 40 FHAB CCc1nnc([C@@H]2Cc3ccccc3CN2c2ncnc3ccccc23)o1 58433940 JKGQRWHSPVMSRZ-SFHVURJKSA-N 357.417 3.879 0 40 FHAB CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)C1CCCC1 10213788 YNSAZQSIUIKBIM-UHFFFAOYSA-N 364.511 3.769 0 40 FHAB Cc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)c(F)c1 12756014 PXMFMOFEIQAJEL-UHFFFAOYSA-N 371.799 3.894 0 40 FHAB COc1ccc(Cc2nnc3sc(-c4ccc(C)cc4)nn23)cc1OC 10311745 SYUMFWUDQZDUQA-UHFFFAOYSA-N 366.446 3.769 0 40 FHAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(C(N)=O)cn3)ccc21 58428216 MFBQUYLMWJJOBC-UHFFFAOYSA-N 358.401 3.561 0 40 FHAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(Br)cn1)CC2=O 100749343 WTCQLVSOOGGDPD-HOTGVXAUSA-N 351.244 3.568 0 40 FHAB C[C@@H](Nc1ccc(Oc2ccccc2Cl)cc1)C(=O)N1CCOCC1 57661208 KHFRJIARZQKXAD-CQSZACIVSA-N 360.841 3.792 0 40 FHAB Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 45287431 QABAAOVNSROPHM-SNVBAGLBSA-N 366.339 3.671 0 40 FHAB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(Cl)cc1 3317195 PINUTCZQFWGEPM-UHFFFAOYSA-N 371.864 3.978 0 40 FHAB COc1cccc(C(=O)O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)c1OC 3385242 JKBBJZFCKUPYJF-HNNXBMFYSA-N 371.433 3.813 0 40 FHAB CSc1ccccc1NC(=O)CN(C)CCO[C@@H]1CCCC[C@@H]1C 48353623 HUBFKQFUQVQGLL-DOTOQJQBSA-N 350.528 3.874 0 40 FHAB CCOc1ccc(C(=O)c2ccc(I)cc2)cc1 36941444 YOMJXEWZXLBEBY-UHFFFAOYSA-N 352.171 3.921 0 40 FHAB CCOc1ccccc1NC(=O)c1nn(-c2cccc(Cl)c2)ccc1=O 12111643 SCQSJAQPDRSFLN-UHFFFAOYSA-N 369.808 3.537 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)c3ccc(Br)cc3)ccc21 12133304 XPAODBQFEZTQJQ-UHFFFAOYSA-N 359.223 3.610 0 40 FHAB Cc1[nH]c2ccc(C(=O)OCC(=O)N[C@@H](C)c3ccccc3)cc2c1C 3442338 XCNLXDNWXGSCII-HNNXBMFYSA-N 350.418 3.819 0 40 FHAB CC(=O)Nc1ccccc1OCC(=O)c1cc(C)n(-c2nccs2)c1C 12971252 PLAZELTZLBILIN-UHFFFAOYSA-N 369.446 3.771 0 40 FHAB COC(=O)c1ccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)c(C)c1 13021433 XFURGWZZQASSQP-UHFFFAOYSA-N 371.481 3.822 0 40 FHAB COc1ccc([C@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc1 49548311 APICRVOAQOIFDL-MRXNPFEDSA-N 366.442 3.656 0 40 FHAB CC[C@@H]1CCC2=NN(C(=O)c3ccc(C)cc3)[C@](O)(C(F)(F)F)[C@@H]2C1 6224391 XOWZPCKHKKQHBL-SUYBPPKGSA-N 354.372 3.884 0 40 FHAB Cc1noc(C)c1CSc1nnc(-c2ccc(Cl)cc2Cl)n1N 4313884 LEIFQWMWSVHMKX-UHFFFAOYSA-N 370.265 3.863 0 40 FHAB COCCn1c(Cc2ccccc2)nnc1SCc1ccc(F)cc1 409108758 VUDQTNQLCYTOKY-UHFFFAOYSA-N 357.454 3.947 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cc3ccccc3[nH]2)cc1 5492277 DJBJJARXITZRCC-ZDUSSCGKSA-N 350.374 3.555 0 40 FHAB Cc1ccccc1[C@@H](C)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 14706737 UHKKPGPHLLAVBM-LLVKDONJSA-N 372.774 3.706 0 40 FHAB CCOc1ccc(C(=O)[C@@H](C)Sc2nnc(C(F)(F)F)n2C)cc1 6850880 SOYGTGFAKJKKLI-SECBINFHSA-N 359.373 3.596 0 40 FHAB COC(=O)c1ccc(COC(=O)Cc2coc3cc4c(cc23)CCC4)o1 6946454 BCTUDDPMVNOGHU-UHFFFAOYSA-N 354.358 3.587 0 40 FHAB C[C@H](Oc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc2c(c1)CCC2 9607799 JPYOVUBOHPVSON-HNNXBMFYSA-N 364.445 3.708 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)c2cc(Br)ccc2F)c1 7801370 XEAPQTBUPFBBOP-UHFFFAOYSA-N 366.186 3.936 0 40 FHAB CC[C@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1 409204504 HKYKMRWDPHAEJM-CCNLRRDASA-N 350.418 3.957 0 40 FHAB COc1ccc2nc(S[C@@H](C)c3nc4ccccc4c(=O)[nH]3)[nH]c2c1 8568916 HYPCXBDBFXWAAR-JTQLQIEISA-N 352.419 3.661 0 40 FHAB CCc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 408706924 FESPIVGCYZECTR-MRXNPFEDSA-N 356.853 3.572 0 40 FHAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(C(=O)OC)cc3)S2)cc1 408782487 JDNZJGDCKOTNCB-MJLBXUHQSA-N 368.458 3.635 0 40 FHAB Brc1ccc(Cc2nc3ccc(-n4cnnc4)cc3o2)cc1 70461421 IANWTPVYHZWRFP-UHFFFAOYSA-N 355.195 3.762 0 40 FHAB Cn1c(CN2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)nc2ccccc21 36753023 PJSVDKMZZISKCI-MRXNPFEDSA-N 359.477 3.904 0 40 FHAB CCCCc1ccc(NS(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1 78234735 HNEQPBAIPZBWDV-UHFFFAOYSA-N 360.479 3.813 0 40 FHAB COc1ccc(O[C@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)cc1 224150929 GBOHQYQTYPAFME-CQSZACIVSA-N 363.841 3.620 0 40 FHAB O=C(Cc1ccccc1Cl)NCCc1cnc(-c2ccccc2)nc1 225591761 IFCGQEZZSFRUDZ-UHFFFAOYSA-N 351.837 3.698 0 40 FHAB OC[C@]1(Cc2ccccc2)CCCN(Cc2c[nH]nc2-c2ccsc2)C1 568704910 PQIRQOMJKBFFGE-NRFANRHFSA-N 367.518 3.955 0 40 FHAB CCO[C@]1(C(=O)Nc2ccc(OCCCN(C)C)cc2)CCC[C@@H](C)C1 225715591 PTJFQWOYIGMKLQ-DYESRHJHSA-N 362.514 3.941 0 40 FHAB CCOc1ccc(-c2noc(CNC(=O)c3cc(C)c(C)cc3C)n2)cc1 225653139 AYZHHJILCPWXPN-UHFFFAOYSA-N 365.433 3.991 0 40 FHAB COC(=O)c1ccc(C)c(NC(=S)NCCCc2ccccc2OC)c1 225550238 SGHZTAFZJYVTQF-UHFFFAOYSA-N 372.490 3.709 0 40 FHAB COc1ccc(NC(=O)COc2nn(-c3ccccc3)cc2Cl)cc1 227152112 GUWMSLOEZYUGJT-UHFFFAOYSA-N 357.797 3.552 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 223060471 VQFKAQOJQQNEPL-IBGZPJMESA-N 370.518 3.641 0 40 FHAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc2c(c1)OCCO2 222737956 ZBOVDOGXYBUHBI-CQSZACIVSA-N 353.418 3.743 0 40 FHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccccc2)no1 95482457 BEYWIEUHDFVRSA-MRXNPFEDSA-N 371.824 3.864 0 40 FHAB O=C(c1ccco1)N1N=C(c2ccco2)C[C@H]1c1ccc2c(c1)OCO2 95116089 KDHXHJFEBJJLQW-AWEZNQCLSA-N 350.330 3.593 0 40 FHAB Cc1ccc(OCc2nc(C)c(C(=O)NCc3cccnc3)s2)cc1 17169161 PYXQJUKCIPJGDH-UHFFFAOYSA-N 353.447 3.664 0 40 FHAB CC(C)(C)c1ccc(OCc2n[nH]c([C@H](N)c3ccc(F)cc3)n2)cc1 95533344 ZZAIUAPVSWQKEU-GOSISDBHSA-N 354.429 3.868 0 40 FHAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cc2ccccc2o1 257273465 NGRIOMKJRKNGAL-QRXQEZHUSA-N 366.461 3.827 0 40 FHAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccnc1O[C@@H]1CCOC1 253400489 LHTHNIQSWLATMF-LLVKDONJSA-N 370.302 3.660 0 40 FHAB Cc1ccsc1CN1CC2(C1)OCC[C@@H]2CCOCc1ccncc1 253598388 ALANDHWIDFNKDR-SFHVURJKSA-N 358.507 3.649 0 40 FHAB CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2oc3ccc(F)cc3c2C)C1 267368826 FIFIXLHEXBMMPO-XACMVJRISA-N 351.443 3.690 0 40 FHAB O=C(NCc1ccccc1CC(F)(F)F)NCc1cccc2c1OCO2 623446695 NYZQNCWOVNYVPF-UHFFFAOYSA-N 366.339 3.520 0 40 FHAB Cc1cc(Oc2ncccn2)ccc1NC(=O)C1(C(=O)O)CC2(CCC2)C1 659122019 OSTHOZSKQSCJRK-UHFFFAOYSA-N 367.405 3.551 0 40 FHAB c1ccc(OCCn2ccnc2)c(CN2CCC(c3ccncc3)CC2)c1 72436603 DLPSEJIVNBPGGK-UHFFFAOYSA-N 362.477 3.737 0 40 FHAB O=C(/C=C/c1ccccc1)NCCn1nc(-c2ccccn2)cc1C1CC1 96121710 ATRJJEWMJPHPMO-FMIVXFBMSA-N 358.445 3.652 0 40 FHAB CCc1nccn1CC(=O)Nc1ccc(Oc2ccc3c(c2)OCO3)cc1 12116832 AXQASUNKVDHUNV-UHFFFAOYSA-N 365.389 3.605 0 40 FHAB CCCCCC1=NN(C(=O)c2ccc(OC)cc2)[C@](O)(C(F)(F)F)C1 15223956 FXJRBEJCKUUZQK-MRXNPFEDSA-N 358.360 3.728 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)Oc2ccccc2F)cc1OC 19078660 SLFUQDODZQJQNZ-RHSMWYFYSA-N 373.424 3.974 0 40 FHAB CCc1onc(C)c1C(=O)N[C@@H](C)c1nc2ccccn2c1NC(C)(C)C 19521168 FABGMSQZXZBADU-ZDUSSCGKSA-N 369.469 3.895 0 40 FHAB O=C(Nc1ccc([C@@H]2CCc3nncn3C2)cc1)c1nccc2ccccc12 19699070 JNAGGAQEDNPEHG-QGZVFWFLSA-N 369.428 3.809 0 40 FHAB COc1cc(/C=C/C(N)=O)ccc1OCc1ccc(Br)cc1 226337230 VMZDYINXMOYPMJ-WEVVVXLNSA-N 362.223 3.535 0 40 FHAB COc1ccccc1OCCN1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 557546890 IFTCDWMHQQYVPE-MAUKXSAKSA-N 373.453 3.536 0 40 FHAB Cc1nc(-c2cccs2)c(CCC(=O)Nc2ccc(C(N)=O)cc2)s1 19819514 XITLHYXHZFNHQH-UHFFFAOYSA-N 371.487 3.850 0 40 FHAB O=C(COC(=O)CCC(=O)c1cccs1)Nc1ccccc1Cl 3276157 QMGQSGWCZVPKML-UHFFFAOYSA-N 351.811 3.546 0 40 FHAB CCn1c(SCC(=O)N2C[C@@H](C)C[C@@H](C)C2)nnc1-c1cccs1 18119707 BRWOVMCIYXZYBB-BETUJISGSA-N 364.540 3.623 0 40 FHAB Cc1nc(C)c(CCC(=O)Nc2ccccc2Oc2ccccc2)c(=O)[nH]1 9726128 LSETXBCROFUFBC-UHFFFAOYSA-N 363.417 3.750 0 40 FHAB COc1ccc(Cn2nnnc2SCc2c(F)cccc2Cl)cc1 11622189 PWUYTXSOUYBCRE-UHFFFAOYSA-N 364.833 3.815 0 40 FHAB CN(C1CC1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 24681575 SNMCZFBRDVLKFT-UHFFFAOYSA-N 359.072 3.539 0 40 FHAB COc1ccc(-c2nnc(NC(=O)c3ccc(F)cc3)s2)c(OC)c1 3227462 OTBVNEKKWAHSGW-UHFFFAOYSA-N 359.382 3.614 0 40 FHAB O=C(CSc1nnc2ccc(-c3cccs3)nn12)c1cccs1 4376913 HKDVCIVGVMQXOX-UHFFFAOYSA-N 358.473 3.889 0 40 FHAB O=c1oc2ccc(Br)cc2cc1-c1nc(-c2cccnc2)no1 6867988 SXINZDJPJPECOK-UHFFFAOYSA-N 370.162 3.668 0 40 FHAB C[C@H]1C[C@@H](C)CN([C@@H](c2ccc(F)cc2)c2sc3ncnn3c2O)C1 17244310 WKCKYDHEKIQGKJ-ZOWXZIJZSA-N 360.458 3.703 0 40 FHAB C[C@]1(C(=O)N2CCC[C@]3(CC2)CN(Cc2ccoc2)CCO3)CC=CCC1 2055793272 JLJDBENIXWNJRB-VXKWHMMOSA-N 372.509 3.610 0 40 FHAB CCOC(=O)c1c(NCc2ccc(OC)cc2)c2cccc(C)c2[nH]c1=O 49001452 XOEDAMGPAJZBOJ-UHFFFAOYSA-N 366.417 3.634 0 40 FHAB Cc1ccc2c(c1)OCC(=O)N2CC(=O)Nc1ccc(Cl)c(Cl)c1 51316406 JBTLHSVOFZUAJL-UHFFFAOYSA-N 365.216 3.666 0 40 FHAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CN(Cc1ccccc1)Cc1ccccc1 101114801 UOEPNNGXPJHKQJ-OYRHEFFESA-N 360.457 3.598 0 40 FHAB Cc1ccc(Sc2ncccc2C(=O)NC2CCC(O)CC2)cc1C 32958353 QQAXYSMFHIZVGZ-UHFFFAOYSA-N 356.491 3.883 0 40 FHAB COc1cccc(CC(=O)NCc2ccc(CN3CCC[C@H](C)C3)cc2)c1 32930087 XTUMYGCOGZXUMV-SFHVURJKSA-N 366.505 3.786 0 40 FHAB O=C(NCc1cccnc1OCC(F)(F)F)C1(c2ccccc2)CCC1 33108812 JQDUSNCDVZADSK-UHFFFAOYSA-N 364.367 3.761 0 40 FHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)OCc1nc(C(C)C)no1 22751469 MNPNKBAMGJSSSB-UHFFFAOYSA-N 365.455 3.905 0 40 FHAB CC(C)CNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 918384 RNUQENUHJOQDHY-MFKMUULPSA-N 356.348 3.522 0 40 FHAB CCCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccco1 1364338 JCKSDJBQGDBQQE-UHFFFAOYSA-N 356.451 3.987 0 40 FHAB C[C@@H](NNC(=S)N1CC2CCC(CC2)C1)c1nccc2ccccc12 1578276 MCDJEIOIHGIMNU-QQFBHYJXSA-N 354.523 3.797 0 40 FHAB C[C@@H](C(=O)c1ccccc1)[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21 2501820 HNJKBZFXEQRSDP-XDHUDOTRSA-N 371.436 3.940 0 40 FHAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1=NCCS1 2559113 NQMWYMBKUQRXIF-UHFFFAOYSA-N 356.234 3.789 0 40 FHAB Cc1ccc(N[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1F 2649549 HICCSHUFSHPKMX-OAHLLOKOSA-N 366.314 3.897 0 40 FHAB Cc1csc(NC(=O)c2ccn(COc3ccc(F)c(Cl)c3)n2)n1 2788007 VDOGEEMAMNAQPI-UHFFFAOYSA-N 366.805 3.729 0 40 FHAB COc1ccc(C(=O)OCCc2sc[n+](Cc3ccccc3)c2C)cc1 3176552 PJZDZUKUNOUURJ-UHFFFAOYSA-N 368.478 3.800 0 40 FHAB COc1ccc(CCNS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 3356171 XSUKZYKEAAIECW-UHFFFAOYSA-N 361.507 3.822 0 40 FHAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(Br)c(C)c2)cc1 3388299 ZVUSVJARUFYFCS-UHFFFAOYSA-N 362.223 3.861 0 40 FHAB COc1ccc(C)cc1NCC(=O)Nc1ccc(Br)cc1F 3398446 IYEIHSQALZROHP-UHFFFAOYSA-N 367.218 3.956 0 40 FHAB Cc1ccc(/C=C/C(=O)OCC(=O)NCc2ccc(Cl)cc2Cl)o1 3407341 XHGWBUPKMXMSNZ-VOTSOKGWSA-N 368.216 3.768 0 40 FHAB COc1ccc([C@H](CNC(=O)Cc2ccccc2F)N2CCCCC2)cc1 3415483 WAIVTHFYHCTICS-NRFANRHFSA-N 370.468 3.720 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)C[C@H](NC(C)=O)c1ccccc1 3444140 KSPKFFSRKYVKNG-INIZCTEOSA-N 360.841 3.863 0 40 FHAB O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)NC1CC1 3578160 UTILTRRGRUJTNW-UHFFFAOYSA-N 374.485 3.960 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 3580029 GPORSJXCZDQDDB-WMLDXEAASA-N 366.461 3.575 0 40 FHAB Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc2c(c1)OCO2 4033079 ZERUCAAHCORNBT-UHFFFAOYSA-N 372.384 3.686 0 40 FHAB COc1cccc([C@@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)c1 4554075 JOQRXJFDUAKZNY-QGZVFWFLSA-N 357.479 3.952 0 40 FHAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc3c(C)ccc(C)c3s2)c1 4585842 SHISOYAYYKBTEP-UHFFFAOYSA-N 374.487 3.959 0 40 FHAB O=C(c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F 4673522 YVXWMEBUEDIYPP-MRXNPFEDSA-N 368.742 3.841 0 40 FHAB Cc1ccc(Nc2nc(C(=O)N(CCO)Cc3ccccc3)cs2)cc1 4675235 YWPGNJFSZBZQDX-UHFFFAOYSA-N 367.474 3.830 0 40 FHAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@@H](c2cccnc2)N1 5071761 AZHLDQSAPUJWLU-HXUWFJFHSA-N 367.412 3.880 0 40 FHAB Cc1ccc(-c2cn3c(CC(=O)NCc4cccnc4)csc3n2)cc1 5147115 FEUWDCPJNUFNNR-UHFFFAOYSA-N 362.458 3.625 0 40 FHAB Cc1ccc(C)c(Cn2cccc(C(=O)Nc3cccc(F)c3)c2=O)c1 5269992 JDTSNFLTCKZFFZ-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB CCOP(=O)(OCC)/C(=C/n1c(=S)[nH]c2ccccc21)C(=O)OC 5499843 HNJUDWYNIHDMGL-JLHYYAGUSA-N 370.367 3.936 0 40 FHAB Cc1ccc2c(CSc3nc4ccccc4c(=O)[nH]3)cc(=O)oc2c1 6516913 MLWJPXLZXOBACC-UHFFFAOYSA-N 350.399 3.630 0 40 FHAB C[C@@H](C(=O)NCc1ccco1)n1c(-c2cscn2)nc2ccccc21 6551198 XYRBDHBCMJFZKA-LBPRGKRZSA-N 352.419 3.630 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)c1C 6998158 JXPJROIJXYSILG-UHFFFAOYSA-N 367.401 3.914 0 40 FHAB CC(=O)NCCc1ccc(-c2csc(NC(=O)c3ccccc3)n2)cc1 7037547 GULMGMMOBMPBSY-UHFFFAOYSA-N 365.458 3.741 0 40 FHAB CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1C1CC1 7618064 YGXAIWMXAUDEES-UHFFFAOYSA-N 370.400 3.925 0 40 FHAB CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 7899704 DEUPBZFOYYLHNI-UHFFFAOYSA-N 356.491 3.644 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(CN3CCCC3)cc2)c1 7923795 VHJMNZFCLAMXRT-SFHVURJKSA-N 352.478 3.675 0 40 FHAB COC(=O)c1cc(-c2ccccc2OC)nc2c1c(C)nn2-c1ccccn1 8429681 YJXHJALBFFPCOZ-UHFFFAOYSA-N 374.400 3.586 0 40 FHAB O=C(CSc1nc2sccc2c(=O)[nH]1)Nc1cccc2ccccc12 8456470 CVFZQLQTXRIRGA-UHFFFAOYSA-N 367.455 3.869 0 40 FHAB CCOc1cccc(-c2nc3c(c(=O)[nH]2)Cc2cc(Cl)ccc2O3)c1O 8569368 AGPPQQNNRZOQHB-UHFFFAOYSA-N 370.792 3.891 0 40 FHAB COc1ccc(-c2noc(CCC(=O)NCc3ccc(Cl)cc3)n2)cc1 8761843 JKTYYIDBFDGWBU-UHFFFAOYSA-N 371.824 3.648 0 40 FHAB CC(C)CN1C(=O)CCc2cc(NS(=O)(=O)C3CCCCC3)ccc21 8840861 GFVGDBJELCHOOC-UHFFFAOYSA-N 364.511 3.696 0 40 FHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cc(C)cc(C)c1 9364753 CZZUVVWJNOSSOX-UHFFFAOYSA-N 369.852 3.856 0 40 FHAB Cc1c(-c2ccccc2)n[nH]c1C(=O)NCCCN1CCCc2ccccc21 12143763 GDNOCUJSBZUCFG-UHFFFAOYSA-N 374.488 3.958 0 40 FHAB COc1ccc([C@@H]2[C@@H](NC(=O)c3cccnc3)[C@H]3CCCC[C@H]32)cc1OC 12162482 HCGPWYBTIKQQKW-SEONNTABSA-N 366.461 3.801 0 40 FHAB CCCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 12583413 VRFASNXMMNNFMH-UHFFFAOYSA-N 358.463 3.788 0 40 FHAB CCCc1noc(CSc2nnc(NCCc3cccs3)s2)n1 12733567 IODCCAOQROGHIP-UHFFFAOYSA-N 367.525 3.882 0 40 FHAB COc1ccc([C@@H]2CCCN2S(=O)(=O)/C=C/c2ccccc2)cc1OC 12758638 IELAVEWDTOBPBR-SZEUEKNRSA-N 373.474 3.841 0 40 FHAB Cc1ccc(NC(=O)CCNC(=O)c2ccsc2)c(Br)c1 12978969 SRCBPNVEJGMDEO-UHFFFAOYSA-N 367.268 3.578 0 40 FHAB COc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2nc(N)nn21 13127567 XRXXLNJDHFEFHF-LSDHHAIUSA-N 355.829 3.669 0 40 FHAB CCOc1ccc(OCCSCC(=O)NCc2cccs2)cc1 13140763 PVWZDFIWJXCXOC-UHFFFAOYSA-N 351.493 3.575 0 40 FHAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3cccnc3)cc2c1 13811661 POGNUMXOPSBBQZ-UHFFFAOYSA-N 373.412 3.667 0 40 FHAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2cccc(F)c2)NC(=S)N1 14251241 OIWHZEOQFAIZFF-KRWDZBQOSA-N 355.438 3.566 0 40 FHAB CC(C)[C@H](C(=O)OCc1cc(=O)n2ccccc2n1)c1ccc(Cl)cc1 14759215 JHKAEYNIMBKHCY-IBGZPJMESA-N 370.836 3.831 0 40 FHAB Cc1ccc(NC(=O)c2sccc2-c2ccccc2)cc1S(N)(=O)=O 15817095 HMKXFZFNDLORME-UHFFFAOYSA-N 372.471 3.623 0 40 FHAB C[C@H]1C[C@@H](C)CN(C(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)C1 15931347 PTDGAQBCSQJBSV-CDXGLEHBSA-N 352.434 3.555 0 40 FHAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)N(C)Cc1ccc(Cl)cc1Cl 16378463 CKRWSEWFGOMXBV-LBPRGKRZSA-N 369.296 3.803 0 40 FHAB Cc1cc(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)nc(C(C)C)n1 16454653 CLDXDFGPORGOKC-GOSISDBHSA-N 371.506 3.601 0 40 FHAB CCCC[C@@H]1[C@@H]2C(=O)N(c3ccccc3C)C(=O)[C@H]2ON1c1ccccc1 17837342 SXZFTHLDQXMSFV-AABGKKOBSA-N 364.445 3.864 0 40 FHAB Cc1nc([C@H](Cc2ccsc2)NC(=O)[C@@H](C)n2nccc2C)sc1C 19238313 VXGJKOACVBDQSO-CJNGLKHVSA-N 374.535 3.988 0 40 FHAB Cn1cnc2cc(C(=O)Nc3ccc4c(c3)nc(C(F)(F)F)n4C)ccc21 19718498 VWZKPPWSQDQAHG-UHFFFAOYSA-N 373.338 3.731 0 40 FHAB CC[C@H](CN1CCCC1)n1cncc1-c1cc2c(cc1OC)OCCCO2 19719951 KLPIIHBKUZIIQI-MRXNPFEDSA-N 371.481 3.767 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccccc1 20427317 YAUXHJHPABATNP-RDTXWAMCSA-N 358.825 3.507 0 40 FHAB COc1ccc(SCC(=O)NCc2ccccc2-n2ccnc2C)cc1 20486457 VSIPRDAFAOMRSP-UHFFFAOYSA-N 367.474 3.598 0 40 FHAB O=c1c(C[P@@](=O)(O)CCc2ccccc2)cc2cccc3c2n1CC3 20735571 IWFLFNAKNKPKRN-UHFFFAOYSA-N 353.358 3.571 0 40 FHAB Cc1cc(C)cc(NC(=O)CSc2nnnn2-c2cccc(C)c2C)c1 21498166 HXZHRAFYHRSSOG-UHFFFAOYSA-N 367.478 3.627 0 40 FHAB COc1cccc(O[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)c1 22528379 CSMZCGOQYJSUGJ-QGZVFWFLSA-N 353.462 3.944 0 40 FHAB C[C@@H]1CCc2ccccc2N1C(=O)CSc1nccc(C(F)(F)F)n1 22614654 VZWNXLOTARMUET-LLVKDONJSA-N 367.396 3.955 0 40 FHAB CC(C)n1ncc2cc(C(=O)OCCCOc3ccc(F)cc3)cnc21 23077127 JJQSRLVYFFWGGE-UHFFFAOYSA-N 357.385 3.777 0 40 FHAB O=C(Nc1cccnc1-n1cccn1)c1cc(F)c(Cl)cc1Cl 23177208 JMGKYNMYLRYUOD-UHFFFAOYSA-N 351.168 3.966 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)Cc1c(C)[nH]c2ccccc12 24568085 IGGPVVWIKWLZLI-UHFFFAOYSA-N 351.406 3.625 0 40 FHAB O=C(COCc1nc2ccccc2s1)Nc1ccc(-n2cccn2)cc1 24711120 NHOHEYOFPJDTDV-UHFFFAOYSA-N 364.430 3.637 0 40 FHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 26527640 MNOQMGINJAWINQ-UHFFFAOYSA-N 360.218 3.581 0 40 FHAB CCn1cc(C(=O)Nc2ccc(Br)cc2C(F)(F)F)cn1 27938213 FPNODDMMZBFZCZ-UHFFFAOYSA-N 362.149 3.937 0 40 FHAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 28043329 ZUXWNXGIANPKHW-QGZVFWFLSA-N 351.855 3.874 0 40 FHAB CCOC(=O)N1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 28197603 JPWSLLPUEBCUKG-UHFFFAOYSA-N 362.813 3.514 0 40 FHAB COc1cccc(-c2cc(C(=O)Nc3ccc(-n4ccc(C)n4)cc3)n[nH]2)c1 28242948 MTMMJODDFUGNGL-UHFFFAOYSA-N 373.416 3.832 0 40 FHAB O=C(c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)N1CCOCC1 29507345 NBJUVJBGAZABPN-UHFFFAOYSA-N 352.365 3.620 0 40 FHAB CCC(=O)Nc1cccc(NC(=O)/C=C/c2cnn(-c3ccccc3)c2)c1 32764614 RXNMEYBWOCOWJQ-VAWYXSNFSA-N 360.417 3.873 0 40 FHAB CCOc1cc2c(cc1CNC(=O)NCCc1ccccc1C)O[C@H](C)C2 32863371 YLHIEILYJVVZOO-MRXNPFEDSA-N 368.477 3.759 0 40 FHAB Cc1nn(C)c2ncc(C(=O)N[C@H](Cc3ccccc3)c3ccccc3)cc12 32899715 GPFAPMZXSIIFCT-OAQYLSRUSA-N 370.456 3.991 0 40 FHAB Cc1nc(-c2ccc(CNC(=O)c3cnc4onc(C)c4c3)cc2)cs1 32908308 FATBHTDCXWBOAZ-UHFFFAOYSA-N 364.430 3.893 0 40 FHAB COC(=O)[C@H](CC(C)C)N[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 36107737 PMGRWZMIVIGETJ-VQTJNVASSA-N 366.461 3.519 0 40 FHAB CCCCNC(=O)c1c(C(F)(F)F)nn([C@@H]2CCCN(C(C)C)C2)c1C 36704550 PIJVBUHBMCRFEG-CQSZACIVSA-N 374.451 3.786 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)NCCSCc1ccccc1F 39535574 UTXKWYVMZZZVHL-UHFFFAOYSA-N 361.438 3.537 0 40 FHAB O=C1CC[C@]2(C(=O)N[C@@H]3CCCc4ccccc43)Sc3ccccc3N12 40017158 YTGBLPVLJNRMEV-IIBYNOLFSA-N 364.470 3.809 0 40 FHAB CC(C)c1ccc(OCCOC[C@@H](O)Cn2cnc3ccccc32)cc1 40373382 LYWPFUOKWMDXML-SFHVURJKSA-N 354.450 3.616 0 40 FHAB O=C(NCCCc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 42645901 DFBRJMXJVWUPEJ-UHFFFAOYSA-N 351.233 3.681 0 40 FHAB CN(C1CCCCC1)S(=O)(=O)N(C)[C@@H](c1ccccc1)c1ccccn1 42746661 JYRIVLRZUZMTQF-FQEVSTJZSA-N 373.522 3.612 0 40 FHAB COC(=O)c1cc(NC(=O)C2(c3ccc(F)cc3)CCC2)c(F)cc1F 43494288 VSFWWVCKOSBSCL-UHFFFAOYSA-N 363.335 3.951 0 40 FHAB C[C@@H](SCc1ccccc1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 43848596 HYRNKKYBUQVFIP-HUUCEWRRSA-N 357.475 3.957 0 40 FHAB C[C@@H](NC(=O)c1csc(-c2ccco2)n1)c1ccc2c(c1)CCC(=O)N2 45977204 BEEYISKCLJIBSZ-LLVKDONJSA-N 367.430 3.779 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)O)c2)c(Cl)c1 47318139 IOSCBIDGENBXDG-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB Cc1nc(COc2ccc(C(=O)N3CCC[C@H]4CCCC[C@@H]43)cc2)no1 48333547 YZPLICQMKMMISO-QAPCUYQASA-N 355.438 3.752 0 40 FHAB CC(=O)Nc1ccc(Cn2cnc(C(=O)Nc3ccc(F)cc3C)c2)cc1 49422168 XRBRCDAGYMHMLR-UHFFFAOYSA-N 366.396 3.590 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 53086203 MRVKNFYUCRKATI-OAHLLOKOSA-N 371.868 3.602 0 40 FHAB CCn1c(CNCc2ccc(NC(=O)NC(C)C)cc2)nc2ccccc21 54176281 OXNDIKCGNTYLCU-UHFFFAOYSA-N 365.481 3.876 0 40 FHAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)N(C)Cc1ccc(C(F)(F)F)cc1 57908826 JVIWMTXGSHUCAJ-ZDUSSCGKSA-N 368.403 3.515 0 40 FHAB CCN(C[C@H]1CCOC1)C(=O)c1ccccc1Nc1ccc(OC)cc1 58291014 NLWGUIGGUPFVGT-MRXNPFEDSA-N 354.450 3.937 0 40 FHAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 59227356 XBSWRTVFLNGNSH-MRXNPFEDSA-N 352.434 3.694 0 40 FHAB Nn1c(SCc2cccc(C(F)(F)F)c2)nc2cc(F)ccc2c1=O 71327740 MIKJNTWQLHLTIA-UHFFFAOYSA-N 369.343 3.561 0 40 FHAB COc1ccccc1-c1nccnc1[C@H]1CCCN(Cc2cccnc2)C1 72358578 LQNFRZZWVXJNRM-SFHVURJKSA-N 360.461 3.927 0 40 FHAB COc1ccc2c(c1)c([C@@H]1CN(Cc3ccsc3)C[C@H]1N(C)C)cn2C 72395504 CTSVOFHQLSFRSL-PZJWPPBQSA-N 369.534 3.778 0 40 FHAB Cc1ccccc1-c1cc(NC(=O)c2cccc(-n3cccn3)c2)n(C)n1 74286790 UURCZCUXFAWJIO-UHFFFAOYSA-N 357.417 3.834 0 40 FHAB Cc1cccc(Cn2nccc2NC(=O)c2ccc(-c3nnc(C)o3)cc2)c1 78899816 ZRESRNRSKTYLJP-UHFFFAOYSA-N 373.416 3.851 0 40 FHAB FC(F)(F)CCN(c1cc(C(F)(F)F)nc2ncnn12)C1CCCC1 79055893 OMYMXLSWYCAZBS-UHFFFAOYSA-N 367.297 3.845 0 40 FHAB Cc1ccc(-c2nn(CC(=O)NCc3ccco3)cc2Br)cc1 79110491 CYGMWEWJJIFXFL-UHFFFAOYSA-N 374.238 3.530 0 40 FHAB CS(=O)(=O)N1N=C(c2ccsc2)C[C@H]1c1ccc(Cl)c(F)c1 95945211 UKPVSCRCFNILHU-AWEZNQCLSA-N 358.847 3.651 0 40 FHAB CCC(=O)Nc1cc(Br)ccc1-c1nc2ccccc2[nH]c1=O 95945880 VCZZPEHGDDYIPV-UHFFFAOYSA-N 372.222 3.701 0 40 FHAB Cc1ccc(C)c(NC(=O)Nc2ccc(F)cc2CS(C)(=O)=O)c1 95946266 SXPDNCRARPZZLS-UHFFFAOYSA-N 350.415 3.631 0 40 FHAB C[C@@](O)(Cc1nc(-c2ccc(N3CCCCC3)nc2)no1)c1ccccc1 96003506 WWERRQVMUWEJML-OAQYLSRUSA-N 364.449 3.572 0 40 FHAB COc1ccc(CN2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)cc1 96057070 KDSCUESDDWYUPH-RBBKRZOGSA-N 368.477 3.540 0 40 FHAB CN(Cc1ccccc1)[C@H]1COC2(CCN(C(=O)CC(C)(C)C)CC2)C1 96073283 AZNWOVLNDBLNSK-LJQANCHMSA-N 358.526 3.705 0 40 FHAB COCCO[C@H]1CCC2(CCN(C(=O)c3ccc[nH]3)CC2)c2ccccc21 96079631 UQWRRMNMDCLYRG-FQEVSTJZSA-N 368.477 3.687 0 40 FHAB C[C@H]1C[C@@H](C)CN(C(=O)CCCN2C(=O)CC(C)(C)c3ccccc32)C1 96184039 JAPFTAWHPGSISP-CALCHBBNSA-N 356.510 3.986 0 40 FHAB C[C@H]1C[C@@H](C)CN(C(=O)c2csc(Nc3ccc4c(c3)OCO4)n2)C1 96572374 UBMOUBBRNPNZPM-TXEJJXNPSA-N 359.451 3.734 0 40 FHAB O=C(O)C1=C[C@@H](c2cccc(Br)c2)n2c(nc3ccccc32)N1 101100828 PYPNKZMNGOABQB-HNNXBMFYSA-N 370.206 3.782 0 40 FHAB O=C1C[C@@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1cccc(F)c1 101276565 HXXSSTMPSYCMNC-CQSZACIVSA-N 353.180 3.877 0 40 FHAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccc(O)cc2)C[C@H](c2ccccc2O)C1 102566892 DXCDFXMMCZNKDJ-RNODOKPDSA-N 374.400 3.755 0 40 FHAB Cc1nc2cc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)ccc2n1-c1ccccc1 102938959 OJQHCTGZCDSFSS-LATRNWQMSA-N 369.424 3.645 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)CN(C)[C@H](C)c2cccs2)c1 106546593 NRNDIIDAOMAEFD-ZIAGYGMSSA-N 362.495 3.636 0 40 FHAB Cc1ccc(-c2noc(CCN3C(=O)[C@@H](C)Oc4ccccc43)n2)cc1F 109506364 NWRQCRBVOMTUFZ-CYBMUJFWSA-N 367.380 3.541 0 40 FHAB Cc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(C)c(C)c3)n2)c1 219521063 CGYITECVCBFBRG-INIZCTEOSA-N 365.433 3.746 0 40 FHAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222709525 QPAAMSHOJONNFM-LSDHHAIUSA-N 355.434 3.665 0 40 FHAB CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 223877329 SKSWOQDDUTZLOS-MOPGFXCFSA-N 364.474 3.786 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224601692 VPMYQRYHWLGRLF-MRXNPFEDSA-N 371.477 3.955 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)NCc2ccccc2CN2CCCC2)c(C)c1 224791113 RDHBDZBEAXBMFH-LJQANCHMSA-N 366.505 3.983 0 40 FHAB Cc1ccc(NC(=O)Cn2cc(-c3cccc(Br)c3)cn2)nc1 227164213 FVZQZWKWEOSOJL-UHFFFAOYSA-N 371.238 3.655 0 40 FHAB O=C(c1nccc2ccccc12)N1Cc2nccn2C[C@H]1c1ccccc1 257204645 AVSHQKCPLNWQEU-IBGZPJMESA-N 354.413 3.829 0 40 FHAB O=C(CC1CCOCC1)N1CCC[C@@H](Cc2cccc3ncccc23)C1 257281542 OPRRSJKXQBUADS-SFHVURJKSA-N 352.478 3.833 0 40 FHAB Fc1ccc(F)c(CN2CCC(c3nccnc3-c3ncc[nH]3)CC2)c1 257287822 PRQUFSGZXCAIOH-UHFFFAOYSA-N 355.392 3.525 0 40 FHAB Cc1cccc(Nc2nccnc2[C@H]2CCCN(CC3CCOCC3)C2)n1 257306622 SVBKVVVQELVXHS-SFHVURJKSA-N 367.497 3.530 0 40 FHAB CC(C)(C)c1ccc2c(c1)[C@@H]1O[C@@H]3CCN(CC(=O)O)[C@H]3C[C@H]1C(C)(C)O2 257307216 SXRRBMCFMYLBPX-HNAWSFBYSA-N 373.493 3.760 0 40 FHAB CCCC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 514471842 CMBXRJWRWWYCAB-LDDOYCOJSA-N 364.511 3.528 0 40 FHAB COc1ccc([C@@H](NC(=O)Nc2cnc3c(c2)CCCC3)C2CC2)cn1 529054470 IVZUWYDAPQFANY-IBGZPJMESA-N 352.438 3.637 0 40 FHAB O=C(NC[C@@H](c1ccsc1)n1cccn1)c1ccc2ncsc2c1 575612674 BVTDTQXIKIVJGJ-HNNXBMFYSA-N 354.460 3.574 0 40 FHAB COC(=O)c1ccc(C(=O)NC[C@H](c2ccco2)c2cccs2)cc1 585146811 SOUCIOYARDMSQJ-OAHLLOKOSA-N 355.415 3.690 0 40 FHAB CC(C)COc1ncccc1C(=O)NC1CCN(c2cccc(F)c2)CC1 1321995389 OCHITSJBLHANTQ-UHFFFAOYSA-N 371.456 3.654 0 40 FHAB CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1noc2c1CC(C)(C)CC2 1587328135 CHAKSZUUHLVURN-KRWDZBQOSA-N 356.466 3.694 0 40 FHAB COc1ccc(C)cc1CCNC(=O)NC[C@H]1CCCc2ccccc21 1675898941 OJNJTMQLHTVMQD-LJQANCHMSA-N 352.478 3.965 0 40 FHAB Cc1ccc(-n2c(COc3ccccc3)nnc2S[C@H](C)C(=O)O)cc1 916876 BMEMZYSOCPZPAR-CQSZACIVSA-N 369.446 3.720 0 40 FHAB CCOc1ccccc1NC(=O)CSCC(=O)Nc1ccc(F)cc1 958760 BKKMSZCPMZVBLL-UHFFFAOYSA-N 362.426 3.535 0 40 FHAB Cc1cc(I)ccc1NC(=O)c1cccnc1Cl 994016 DONXMIVCRVLHJK-UHFFFAOYSA-N 372.593 3.900 0 40 FHAB Cn1c(CC(=O)NC(C)(C)CO)c(Sc2ccccc2)c2ccccc21 1022378 DTLOPFQYOFOEIK-UHFFFAOYSA-N 368.502 3.759 0 40 FHAB Nc1ccc(C(=O)OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 1051208 LKZKGOGJQFGIMX-UHFFFAOYSA-N 374.396 3.561 0 40 FHAB Cc1sc2ncn([C@H](C)C(=O)Nc3ccc(Cl)cc3)c(=O)c2c1C 1980964 NHUGSYIJMPOZBC-SNVBAGLBSA-N 361.854 3.928 0 40 FHAB C[C@H]1CCCCN1C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 2624179 UBVXOGWWQQJNEG-AWEZNQCLSA-N 356.495 3.638 0 40 FHAB CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1cccnc1 2911379 ZHPMOHHOHGICJS-UHFFFAOYSA-N 367.478 3.708 0 40 FHAB O=C(Nc1ccc(N2CCOCC2)cc1)C1(c2ccccc2)CCCC1 3350039 ZJKXVTRJBWOSKC-UHFFFAOYSA-N 350.462 3.974 0 40 FHAB COc1ccc(CCNC(=O)Cc2cccc(C(F)(F)F)c2)cc1OC 3614694 WAMYVKXDSRMMHD-UHFFFAOYSA-N 367.367 3.624 0 40 FHAB COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 4176505 PNBVWIODOOPKDM-UHFFFAOYSA-N 354.387 3.800 0 40 FHAB COc1cc(OC)cc(-c2nnc(NC(=O)c3cccc(SC)c3)o2)c1 4517548 HRRUNPQRKCWAAX-UHFFFAOYSA-N 371.418 3.728 0 40 FHAB CC(C)N(Cc1ccccc1)C(=S)NC(=O)[C@]1(C)CC1(Cl)Cl 5783363 VUCVUPDIZISQBT-HNNXBMFYSA-N 359.322 3.882 0 40 FHAB COc1c(C)cccc1C(=O)NC(=S)Nc1cccc2cc(O)ccc12 6044804 JEIMLOPHHNOJKK-UHFFFAOYSA-N 366.442 3.989 0 40 FHAB COc1ccccc1N1C(=O)c2ccccc2N[C@H]1C(=O)c1ccccc1 6235417 IJIFJFGGRSQMIG-OAQYLSRUSA-N 358.397 3.977 0 40 FHAB COc1ccccc1/C=C/C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 6519384 VXHMUQSVNHKPNS-JLHYYAGUSA-N 350.418 3.583 0 40 FHAB CCc1ccc(OC)c(S(=O)(=O)n2cc(C)nc2-c2ccccc2)c1 7425080 JDMYEVHJRHYSLW-UHFFFAOYSA-N 356.447 3.667 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)CSc1ccc(F)c(F)c1 7851366 BPWHXMHWYYLSTK-UHFFFAOYSA-N 366.389 3.663 0 40 FHAB Cc1csc(N(C(=O)Cn2c(=O)oc3ccccc32)c2ccccc2)n1 7990708 ARWQPJSZFOLLCF-UHFFFAOYSA-N 365.414 3.724 0 40 FHAB CN(CCOc1ccc(F)cc1)C(=O)NCCc1ccc(Cl)cc1 8128273 WJBSOUCTWQQQKN-UHFFFAOYSA-N 350.821 3.742 0 40 FHAB C[C@H]1CCc2sc(C(=O)OCC(=O)N[C@@H](C)c3ccccc3)cc2C1 8389387 GIMMRHLMMVVQTM-KBPBESRZSA-N 357.475 3.907 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)Nc1cccc(Br)c1 8496191 LHSVKEFJTQJLOW-NSHDSACASA-N 350.212 3.864 0 40 FHAB COC(=O)c1ccc(Oc2c(-c3ccc(OC)cc3O)n[nH]c2C)cc1 8996140 DQZQSMAQQCQZTB-UHFFFAOYSA-N 354.362 3.678 0 40 FHAB Cc1ccc(-n2nc(C)c3c(=O)c(C(=O)Nc4ccccc4)c[nH]c32)cc1 10166798 DBKKCHQLATYZPM-UHFFFAOYSA-N 358.401 3.583 0 40 FHAB COc1cc(SC)ccc1C(=O)NCCc1ccc(-n2cccn2)cc1 10222101 BHBBIKDDBGVLEQ-UHFFFAOYSA-N 367.474 3.575 0 40 FHAB Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1NS(C)(=O)=O 10315136 CMFLWKBOJMLPBS-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1C(F)(F)F 10514373 UMGAMVBROHIOOF-UHFFFAOYSA-N 359.325 3.513 0 40 FHAB C[S@@](=O)c1ccc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1 10884769 HDKUUUCQKDUOSP-SANMLTNESA-N 366.486 3.925 0 40 FHAB Cc1ccc2cc(COC(=O)CN3CCCCCC3=O)c(Cl)nc2c1 11383393 BBSVFDZEJFGJDI-UHFFFAOYSA-N 360.841 3.642 0 40 FHAB O=C(NC1CCN(C(=O)c2ccco2)CC1)c1ccc(Cl)cc1Cl 11555670 RHARHLORKMPVGW-UHFFFAOYSA-N 367.232 3.621 0 40 FHAB COc1cccc(C2(NC(=O)c3cnn4c(C)cc(C)nc34)CCCC2)c1 12143096 LLJMCARMYSYFJM-UHFFFAOYSA-N 364.449 3.554 0 40 FHAB Cc1ncsc1C(=O)N1CCC(C(=O)c2nc3ccccc3s2)CC1 12184385 MGJFKRSEHUPHRS-UHFFFAOYSA-N 371.487 3.796 0 40 FHAB O=C(Nc1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1)c1ccco1 12549602 LPEKOWRJMKJYOY-UHFFFAOYSA-N 363.398 3.894 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@@H](CCN2CCCCC2)c2ccccc2)cc1 12812337 JGMIWXDEIQYHBA-NRFANRHFSA-N 372.534 3.891 0 40 FHAB COc1ccccc1NC(=O)[C@@H](C)Nc1ccc(F)c(NC(=O)C2CC2)c1 12972857 VVZXTOLLYBQSAU-GFCCVEGCSA-N 371.412 3.622 0 40 FHAB CC(=O)Nc1cccc(NC(=O)CSc2nc(-c3ccccc3)c[nH]2)c1 13598889 FOMWPESCEKBBAJ-UHFFFAOYSA-N 366.446 3.766 0 40 FHAB CCOC(=O)c1ccc(NC(=O)CCCOc2ccc(OC)cc2)c(C)c1 13646645 KKPBFDIQQFPJLO-UHFFFAOYSA-N 371.433 3.978 0 40 FHAB S=C(Nc1ccc2c(c1)OCO2)Nc1ccccc1Br 13787185 SZMJGHYHYQEBCD-UHFFFAOYSA-N 351.225 3.987 0 40 FHAB O=C1Nc2ccc(F)cc2[C@]12Nc1ccccc1-c1nc3ccccc3n12 13787628 IHIWLKNPHDBEAE-OAQYLSRUSA-N 356.360 3.921 0 40 FHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(CCc2ccccc2)CC1 14159826 VQGATWWQEZYOQA-UHFFFAOYSA-N 351.446 3.595 0 40 FHAB Cc1cc(Br)ccc1NC(=O)CN1CCn2cccc2[C@H]1C 14182463 OQYGUVAZBVFIFD-CYBMUJFWSA-N 362.271 3.574 0 40 FHAB COc1ccc([C@@H](NS(=O)(=O)c2ccc(F)c(F)c2)C(C)C)cc1 14196630 UMRNSTHBGGIBFH-KRWDZBQOSA-N 355.406 3.649 0 40 FHAB COC(=O)c1ccc(NC(=O)c2ccc(Br)cc2F)cc1 14197656 LCSBDBQUTVMABN-UHFFFAOYSA-N 352.159 3.627 0 40 FHAB COc1ccc(CC(=O)Nc2ccnn2Cc2ccc(Cl)cc2)cc1 14197911 CCOCWKWZQUBGCO-UHFFFAOYSA-N 355.825 3.775 0 40 FHAB COc1ccc(Cl)cc1CN(C)C[C@H](O)COc1cc(C)ccc1C 14200931 FMTSCQLKKKHAPZ-SFHVURJKSA-N 363.885 3.837 0 40 FHAB Cc1cc(C)cc(OCC(=O)Nc2ccccc2C(=O)NCC(C)C)c1 14398802 JVMBUSSAZSTPLQ-UHFFFAOYSA-N 354.450 3.707 0 40 FHAB C[C@H](C(=O)Nc1c(F)cccc1F)N1CCC(C(=O)c2ccccc2)CC1 14809245 HIFCMKMVXAYMQX-CQSZACIVSA-N 372.415 3.887 0 40 FHAB CCOc1ccc(NC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)cc1 15190316 NLBUPEOKYZVZEQ-UHFFFAOYSA-N 356.813 3.880 0 40 FHAB CCc1sc(NC(=O)CCC(=O)O)c(C(=O)OC)c1-c1ccccc1 17074403 FSESSEBVTOCVAP-UHFFFAOYSA-N 361.419 3.567 0 40 FHAB C[C@@H]1Cc2cc(CN3C[C@@H]4CCC[C@H](C3)C4(O)c3cccnc3)ccc2O1 19498165 KFAQMCUSCMTESQ-LHGIQQMGSA-N 364.489 3.525 0 40 FHAB CCN1CCC[C@H]1CN(CC1=Cc2ccccc2OC1)Cc1ccncc1 19527210 AAFPQTYXLAXXPI-QFIPXVFZSA-N 363.505 3.844 0 40 FHAB COc1ccc(C(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)c(OC)c1 19551888 SQUHPGWNNUWZRG-UHFFFAOYSA-N 365.433 3.600 0 40 FHAB CC(=O)N1CC[C@H]2[C@H]1CCCCCN2C(=O)CCc1ccc(Cl)cc1 19711632 AWLCJMOUXVTETF-MOPGFXCFSA-N 362.901 3.665 0 40 FHAB CCOC(=O)c1n[nH]cc1-c1cncn1C[C@H](C)Oc1ccccc1Cl 19719700 MHGBSLXCGFNCFZ-LBPRGKRZSA-N 374.828 3.571 0 40 FHAB COCc1ccccc1CNC(=O)CC1CCN(C2CCCCC2)CC1 19748776 LEVFUVYFWMAKHE-UHFFFAOYSA-N 358.526 3.884 0 40 FHAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)c(N)c2)cc1 20154161 FHKVLHMWCNFGPH-BJMVGYQFSA-N 365.477 3.881 0 40 FHAB COc1cccc(NC(=O)[C@H]2CC(O)=Nc3c(-c4ccccc4)cnn32)c1 20732119 QAWMJMZZNRQJPT-QGZVFWFLSA-N 362.389 3.730 0 40 FHAB Cc1ccc(Cn2nc(C)c(C(=O)NCc3ccccn3)c2Cl)cc1 20898521 SZFOZFOGUDXYGA-UHFFFAOYSA-N 354.841 3.527 0 40 FHAB CCn1cc(C(=O)NCc2ccc(C)cc2)c(=O)c2cc(Cl)ccc21 22234839 QCSLDQLFWUISQJ-UHFFFAOYSA-N 354.837 3.913 0 40 FHAB Cc1ccccc1CN1CCN(C(=O)NCC2(c3ccccc3)CC2)CC1 22427015 HRRCKAPPPCWTLB-UHFFFAOYSA-N 363.505 3.554 0 40 FHAB O=C(Nc1ccc(OC(F)F)cc1)c1ccc(CN2CCCC2=O)cc1 22881395 OWAOPWDQCPYAJQ-UHFFFAOYSA-N 360.360 3.663 0 40 FHAB CCCc1cc(=O)[nH]c(SCc2noc(-c3ccccc3Cl)n2)n1 23950387 DDWISJONDDVBDC-UHFFFAOYSA-N 362.842 3.718 0 40 FHAB Cc1ccc(-n2cc(C(=O)Nc3cnn(C)c3)c(-c3ccccc3)n2)cc1 25306783 BMIVNKFPMXSYME-UHFFFAOYSA-N 357.417 3.834 0 40 FHAB CC[C@H](C)c1ccc([C@@H](O)CN2CCN(C(=O)c3cccs3)CC2)cc1 25571738 VCECKLPMFIIXSX-LPHOPBHVSA-N 372.534 3.753 0 40 FHAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc(-c2ccco2)on1 28296049 GPKKDTMOHWUDLH-QGZVFWFLSA-N 351.406 3.502 0 40 FHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCc1ccc(OC)c(OC)c1 30861064 NNLLGIPBKNXXGP-SFHVURJKSA-N 371.477 3.837 0 40 FHAB CCCn1nc(C(=O)OCc2nc3ccccc3c(C)c2Cl)ccc1=O 32568750 MMLWYDVRXLAUEE-UHFFFAOYSA-N 371.824 3.520 0 40 FHAB CCCCC(=O)Nc1ccc(C)c(OCc2cc(=O)n3oc(C)cc3n2)c1 35428403 WKSINHZUWDVIIQ-UHFFFAOYSA-N 369.421 3.612 0 40 FHAB Cc1nc(C2(NC(=O)CCCOc3ccccc3C)CCCCC2)no1 40050505 BWMIMOHWRSEBHH-UHFFFAOYSA-N 357.454 3.821 0 40 FHAB CCN(CC)C(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2cccc(Cl)c2)C1 40091878 HYLKMUQJGHNAFP-GOEBONIOSA-N 365.905 3.691 0 40 FHAB CCN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 40104592 WLWVZLPULRHVQV-UHFFFAOYSA-N 351.450 3.977 0 40 FHAB O=C(CCc1nc(Cc2ccccc2)no1)N1CCC[C@H]2CCCC[C@H]21 40107291 MDYCKVQACLBZPB-QZTJIDSGSA-N 353.466 3.774 0 40 FHAB C[C@@H](NC(=O)COCCOc1ccccc1)c1cccc(C(F)(F)F)c1 40130410 QBRLSEVASWJCQZ-CQSZACIVSA-N 367.367 3.978 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(c2ncccc2Cl)C1 40134913 VCWXTNQGTRXWQH-GDBMZVCRSA-N 355.869 3.929 0 40 FHAB O=C(NCc1ccc(O)cc1)c1cc(-c2ccncc2)nc2ccccc12 45889545 INWIJZJOMNIVGR-UHFFFAOYSA-N 355.397 3.932 0 40 FHAB Cc1ccc(-c2noc(CN3CCO[C@@H](c4ccc(F)cc4)C3)n2)cc1F 48250426 HYFFOOMKQMNXGA-GOSISDBHSA-N 371.387 3.897 0 40 FHAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@H](C)c1ccc(F)c(F)c1 48333683 PQDSGNLLQBEXKP-GFCCVEGCSA-N 361.392 3.858 0 40 FHAB CCCCn1c(SCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)nc(C)c1C 53741236 IDAGPVDVVQJNAI-DLBZAZTESA-N 365.543 3.562 0 40 FHAB CC(C)(C)OC(=O)NC1CCN(CCCc2nc3ccccc3o2)CC1 54809385 RELAVEKJUHWAAM-UHFFFAOYSA-N 359.470 3.750 0 40 FHAB Cc1nc(CN(C)C(=O)NCCc2ccc(OC(F)(F)F)cc2)cs1 58210426 GZKIVJCHMVFOPL-UHFFFAOYSA-N 373.400 3.734 0 40 FHAB CC1(C)[C@H](Cc2cc(CN3CCCCC3)on2)C[C@@H]1NC(=O)c1ccco1 67890114 XDJABYANPCJACA-BEFAXECRSA-N 371.481 3.641 0 40 FHAB biogenic,in-vitro COCCN1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 72359359 BHGLLPYLRIZMOS-OAHLLOKOSA-N 365.399 3.988 0 40 FHAB CCCOc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1OCCC 72414193 MMXZBGXQBVIRHF-HOTGVXAUSA-N 369.527 3.931 0 40 FHAB Cc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)on1 78372534 WZRQFCYQBRKGKZ-CYBMUJFWSA-N 361.250 3.816 0 40 FHAB FC(F)n1ccnc1CN1CCN([C@H]2CCCCc3ccccc32)CC1 86230360 GRPGPWNSIUXUMO-SFHVURJKSA-N 360.452 3.864 0 40 FHAB CCCn1cnc(S(=O)(=O)Nc2cccc(C3SCCS3)c2)c1 89960740 OMFACCOITLFRCT-UHFFFAOYSA-N 369.537 3.573 0 40 FHAB CSc1ccccc1C(=O)N1CCC(CSc2nccn2C)CC1 90608199 NIYRJKPEIHNQBN-UHFFFAOYSA-N 361.536 3.787 0 40 FHAB Cc1nc(CCN[C@@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)cs1 95466844 XHYFVWTWLJOQTR-XJKSGUPXSA-N 353.532 3.762 0 40 FHAB Cc1ccc(CN2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)CC2)o1 96047534 WMBBMMOPPDCJAY-OAQYLSRUSA-N 353.466 3.530 0 40 FHAB CC(C)Cn1cnc(S(=O)(=O)N2c3ccccc3CC[C@@H]2C(C)C)c1 97117197 XODCFBBLOOSJKA-QGZVFWFLSA-N 361.511 3.705 0 40 FHAB Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 100632533 YHEQVPNGNDZSSY-CPLUKWAASA-N 372.424 3.559 0 40 FHAB Cc1c(CC(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)c(=O)oc2cc(O)ccc12 100786817 CPKJLZZWQIYGFO-RCDICMHDSA-N 369.461 3.777 0 40 FHAB COC(=O)[C@@H]1CCC[C@H]1NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 107052191 VMZFWPRSMURGMA-CWFSZBLJSA-N 367.445 3.579 0 40 FHAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc4c(c3)OCO4)N21 222650514 JDRYWWUCMWBESS-FSPWUOQZSA-N 353.447 3.790 0 40 FHAB COC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 222768930 HVAYUQGFLFKVHG-CQSZACIVSA-N 353.418 3.758 0 40 FHAB COc1ccc(CCC(=O)NCc2nc(-c3ccccc3C)no2)cc1C 223697183 SNZPEWOTWLHYLT-UHFFFAOYSA-N 365.433 3.611 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c1 224045390 VZSKQRBIVNVKGY-JKSUJKDBSA-N 357.450 3.965 0 40 FHAB Cc1cccc(CN2CCC(C(=O)NCCc3ccc(F)cc3)CC2)c1 224528679 QPGVIYZSJUSORQ-UHFFFAOYSA-N 354.469 3.705 0 40 FHAB CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc(Cl)cc1 224714162 SSYPTJPSALKCPX-UHFFFAOYSA-N 367.854 3.650 0 40 FHAB CCOc1ccccc1CNC(=S)Nc1cccc(N2CCCC2=O)c1 225443787 JCBJZCQPDGLCAB-UHFFFAOYSA-N 369.490 3.699 0 40 FHAB C[C@@H](Cc1ccc2c(c1)CCO2)NS(=O)(=O)c1cccc2ccccc12 225602506 PWSDHCRVUABSAL-HNNXBMFYSA-N 367.470 3.684 0 40 FHAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)CC3)cc1 226862153 FFDMKMIQFAQLCD-UHFFFAOYSA-N 366.442 3.698 0 40 FHAB Cc1ccc(NC(=O)C2CCN(C(=O)Cc3ccccc3)CC2)cc1C 243338197 LRIDEBAJVSUPEJ-UHFFFAOYSA-N 350.462 3.723 0 40 FHAB O=C1CCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)[C@@H](C(=O)O)N2Cc1ccccc1 254286891 PHRDQWTYDOYLKH-GBAJDQEWSA-N 363.457 3.867 0 40 FHAB CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)C(C)(C)Oc1ccc(F)cc1 257341959 ZMOOEXZIXAFDKN-YNFBMLRVSA-N 374.500 3.847 0 40 FHAB CO[C@@](C)(C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1)C1CC1 260812609 HPNWLUCIFZUJJA-IIBYNOLFSA-N 360.498 3.693 0 40 FHAB O=C1c2cccn2[C@H]2CN(Cc3cccs3)C[C@H]2N1Cc1cccs1 306129280 HZESFJZYERNBNZ-ZWKOTPCHSA-N 369.515 3.693 0 40 FHAB COc1c(C)cccc1C(=O)NC(=S)Nc1c(O)ccc2ccccc12 408622909 QFIGSJHPJXLXNW-UHFFFAOYSA-N 366.442 3.989 0 40 FHAB CCN(CC)c1ccc2cc(C(=O)N[C@H]3CCCC[C@H]3C)c(=O)oc2c1 408806313 MOGKDNNWXZTPDH-KDOFPFPSSA-N 356.466 3.948 0 40 FHAB C[C@H](NC(=O)c1cc(N(C)C)nc2ccccc12)[C@H]1COc2ccccc21 509191871 MPMXBJNCIYMFDW-KBXCAEBGSA-N 361.445 3.595 0 40 FHAB Cc1ccc2sc(CN(Cc3ccccc3)[C@@]3(CO)CCOC3)nc2c1 528491615 QDEFVXJRLWTLRK-OAQYLSRUSA-N 368.502 3.758 0 40 FHAB CC[C@@H](C(=O)Nc1nc(-c2c(F)cc(F)cc2F)c(C)s1)C(=O)OC 549302967 NINFNNJZFUPNCB-VIFPVBQESA-N 372.368 3.674 0 40 FHAB C[C@@H](Cc1ccccc1Cl)C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 560676034 AZKBUNIHMRNNTB-KXBFYZLASA-N 372.896 3.724 0 40 FHAB Cc1nc([C@H]2CCN(C(=O)Nc3ccccc3-c3cccs3)C2)n[nH]1 572013086 GGHQPXFNWLBDDW-ZDUSSCGKSA-N 353.451 3.863 0 40 FHAB O=C(O)c1ccc(-c2nc(CN3CCO[C@@H]4CCCC[C@@H]43)cs2)cc1 652396965 HDKUORNMDVUZSM-DLBZAZTESA-N 358.463 3.652 0 40 FHAB O=C(Cn1nnc2ccccc21)N1CCCC[C@H]1c1cccc(Cl)c1 1626437005 CCZQVVQVXUBCAV-KRWDZBQOSA-N 354.841 3.839 0 40 FHAB C[C@H](Sc1nc(-c2ccc([C@@H](C)O)cc2)n[nH]1)C(=O)c1ccccc1 1776005405 BHSDYDVRCGISPJ-OLZOCXBDSA-N 353.447 3.889 0 40 FHAB Cc1csc(N2CC[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]32)n1 1889095538 VSHMGSFYPVAYNM-YPMHNXCESA-N 354.401 3.580 0 40 FHAB Clc1cnccc1N1CCC(Oc2ncc(-c3ccncc3)cn2)CC1 1889149500 JATPOWDXJQYVGP-UHFFFAOYSA-N 367.840 3.635 0 40 FHAB Cc1cnc(N(C)[C@@H]2CCCN(C(=O)Nc3ccccc3Cl)C2)nc1 1889176694 XUXJOZTZSLUYHP-CQSZACIVSA-N 359.861 3.571 0 40 FHAB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl 820439 BWZNPWFJNYGIMW-MDWZMJQESA-N 361.184 3.660 0 40 FHAB O=C(Nc1ccccc1)c1nn(-c2cccc(C(F)(F)F)c2)ccc1=O 1394397 UKVYKQAYLLUULJ-UHFFFAOYSA-N 359.307 3.504 0 40 FHAB O=C(O)/C=C/C(=O)Nc1ccc2c(c1)Cc1cc(Br)ccc1-2 1681548 WPHKDSMPONFTIF-AATRIKPKSA-N 358.191 3.600 0 40 FHAB Clc1ccc(-n2ncc3c2ncn2nc(CCc4ccccc4)nc32)cc1 2223513 ONJUPJJUOKWCLZ-UHFFFAOYSA-N 374.835 3.902 0 40 FHAB COc1ccc(-c2cc(C(=O)OCC(C)=O)c3ccccc3n2)cc1OC 2644726 FXWQDPODWPKBNJ-UHFFFAOYSA-N 365.385 3.665 0 40 FHAB COc1ccc(-n2nnnc2SCc2ccc(F)cc2Cl)cc1 2645697 LFZUHHZZLCRDOZ-UHFFFAOYSA-N 350.806 3.756 0 40 FHAB O=C1N[C@@]2(CCS1)Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 4523420 OEAITSXEKASUBS-VQIMIIECSA-N 351.431 3.730 0 40 FHAB O=C(O)c1cc(NC(=S)NC(=O)c2ccccc2Cl)ccc1Cl 4604051 GPTWFFCQAPRNED-UHFFFAOYSA-N 369.229 3.818 0 40 FHAB Fc1ccccc1[C@@H]1C2=C(N=C3N=CNN31)c1cc(Cl)ccc1OC2 5577013 OFBUFVSZMBDWBU-QGZVFWFLSA-N 354.772 3.542 0 40 FHAB Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 5578477 LQGMXLYIFWYRFJ-UHFFFAOYSA-N 370.880 3.817 0 40 FHAB COC(=O)c1ccccc1NS(=O)(=O)c1cccc(Cl)c1Cl 6007842 VUCCKKKAZRXXHM-UHFFFAOYSA-N 360.218 3.581 0 40 FHAB COc1ccc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc1O 6478718 QARCTZRNWSEKND-LICLKQGHSA-N 355.415 3.946 0 40 FHAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)Nc1cccnc1 6671886 YORPBKORBDTJQU-UHFFFAOYSA-N 372.380 3.873 0 40 FHAB biogenic O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Br)c(Cl)c1 6861858 BRNUHOSGBYYTJJ-NXEZZACHSA-N 360.635 3.932 0 40 FHAB O=C(Nc1nccs1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 7015613 RXIFLVGSCIMFBS-UHFFFAOYSA-N 371.487 3.961 0 40 FHAB CCC[C@@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1 7037521 SNVIRPCQOVVLJD-LJQANCHMSA-N 364.445 3.720 0 40 FHAB Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(F)cc1F 7052680 CPMAGTNCXOUTGU-UHFFFAOYSA-N 362.195 3.837 0 40 FHAB CCCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1 7262829 XOHSNZPMIFYHFT-UHFFFAOYSA-N 354.431 3.536 0 40 FHAB CC(C)c1ccc(-c2nnn(CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 7414398 GROQTGVEYFOTMF-HKUYNNGSSA-N 367.497 3.645 0 40 FHAB CC(=O)Nc1ccc(-c2nnc(SCc3cccc(C(=O)O)c3)o2)cc1 7605195 CTWWHHSRKOCJQJ-UHFFFAOYSA-N 369.402 3.686 0 40 FHAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)N[C@H](C)c2ccccc2)c1 7717379 ALPMVARFXLZYFH-OXQOHEQNSA-N 368.477 3.718 0 40 FHAB C[C@H](NC(=O)COc1ccc2c(c1)CCC2)c1ccc(-n2ccnc2)cc1 7738221 XJDNXVHSICLEIM-INIZCTEOSA-N 361.445 3.617 0 40 FHAB COc1cccc(NC(=O)Nc2ccc(I)cc2)c1 8167988 GHVFGSNNYJJPKD-UHFFFAOYSA-N 368.174 3.944 0 40 FHAB Cc1cc(OCC(=O)NCCn2c(C)nc3ccccc32)ccc1Cl 8172939 IQHLKLMFLYJKOW-UHFFFAOYSA-N 357.841 3.502 0 40 FHAB C[C@H](CNC(=O)CCn1c(=O)oc2cc(Cl)ccc21)c1ccccc1 8304012 XWCXYLFRTXRBRY-CYBMUJFWSA-N 358.825 3.558 0 40 FHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)COc1cccc(Cl)c1 8349665 NKDBQBKRXZCVJA-AWEZNQCLSA-N 370.840 3.519 0 40 FHAB O=C1CCSc2ccc(C(=O)OCc3nc4ccccc4o3)cc2N1 8365793 XCHUGSALVFENEZ-UHFFFAOYSA-N 354.387 3.619 0 40 FHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(C)c2C)cc1 8413518 HYGJSYQKUQUWNA-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB COc1ccccc1OCC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 8775128 OLAFRYKFGULDKQ-GFCCVEGCSA-N 353.340 3.970 0 40 FHAB C[C@@H](Sc1nnnn1Cc1cccs1)c1nnc(-c2ccccc2)o1 9155540 XEQHKZQSKFBCTP-LLVKDONJSA-N 370.463 3.686 0 40 FHAB Cc1c(C(=O)CSc2nnnn2Cc2cccs2)oc2ccccc12 9586298 IFTQCKHKPPECRY-UHFFFAOYSA-N 370.459 3.813 0 40 FHAB CCn1nnc2cc(C(=O)OCC(=O)c3ccc4ccccc4c3)ccc21 10854631 RWYOYCVAXSKMLW-UHFFFAOYSA-N 359.385 3.644 0 40 FHAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1cnn(-c2ccccc2)c1 10965487 KRWRYASYNLQHQD-KRWDZBQOSA-N 353.422 3.978 0 40 FHAB Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)cc1Cl 11914136 LQIKOOMXKVYDDJ-UHFFFAOYSA-N 357.772 3.586 0 40 FHAB Cc1ccc(NC(=O)CNc2ccccc2N2CCCC2=O)cc1Cl 12562670 QCXNWORBMSYCSU-UHFFFAOYSA-N 357.841 3.826 0 40 FHAB CN1CCCc2cc(CCNC(=O)c3ccccc3Br)ccc21 13006694 JLHDBMDUGLQJCT-UHFFFAOYSA-N 373.294 3.804 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)N1CCCN(Cc2ccccc2)CC1 13010381 GOIFPJRCNPGYEF-UHFFFAOYSA-N 361.489 3.835 0 40 FHAB C[C@@H]1CCCCN1C(=O)CSc1nnc(NC2CCCCC2)s1 14137593 LRMRUBCGLSQSHG-GFCCVEGCSA-N 354.545 3.776 0 40 FHAB Cc1ccc(CCC(=O)Nc2cccc(S(C)(=O)=O)c2)cc1Cl 14198448 ODLQETWPELWOKH-UHFFFAOYSA-N 351.855 3.623 0 40 FHAB Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)NC1CCCCCCC1 14199373 GNHPEHLVBNRCQB-UHFFFAOYSA-N 373.472 3.775 0 40 FHAB O=C(/C=C/c1ccc2c(c1)OCO2)OCc1nc2ccccc2n1C(F)F 14815417 MJLRUOINPUIYLP-SOFGYWHQSA-N 372.327 3.917 0 40 FHAB COc1ccc(-c2c(-c3ccc(Cl)s3)[nH]c3[nH]c(=O)[nH]c(=O)c23)cc1 15085060 HQIRNQICGCNOIB-UHFFFAOYSA-N 373.821 3.602 0 40 FHAB Cc1ccc(NC(=S)N2CCC(NC(=O)c3ccccc3)CC2)cc1 15936043 NCVZHTDJVJFWBH-UHFFFAOYSA-N 353.491 3.586 0 40 FHAB CC(C)N(CCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(C)C 16600122 VKRXBYHGCHLPPD-UHFFFAOYSA-N 363.502 3.882 0 40 FHAB COc1cc(C)ccc1CN1CCCC[C@@H]1c1ncc2c(n1)CCN(C)C2 19134054 NXHWDADDGXBMCK-HXUWFJFHSA-N 366.509 3.509 0 40 FHAB Cc1noc2nc(C(C)C)cc(C(=O)N(C)CCOc3ccc(F)cc3)c12 19714747 XJFKPQTXNPRGAT-UHFFFAOYSA-N 371.412 3.945 0 40 FHAB CCc1cccc(NC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)c1 19911223 KMMRRBVKDJCXIW-UHFFFAOYSA-N 372.375 3.992 0 40 FHAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)CCC(C)C 20151351 QLWJDWQBIRVVLN-UHFFFAOYSA-N 360.479 3.997 0 40 FHAB CCCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2)c2ccccc21 20722320 CIGPCGAHSFYWDW-JOCHJYFZSA-N 372.428 3.907 0 40 FHAB Cc1nn(-c2ncccn2)c2c1[C@H](c1ccc(F)cc1F)SCC(O)=N2 20728904 VSFVYRYSXFODMJ-HNNXBMFYSA-N 373.388 3.673 0 40 FHAB Cc1nn(-c2ncccn2)c2c1[C@H](c1cccc(OC(C)C)c1)CC(O)=N2 20745896 RAOKUGHTGRCXJE-INIZCTEOSA-N 363.421 3.882 0 40 FHAB c1ccc2sc(N3CCN(Cc4ccc5c(c4)CCO5)CC3)nc2c1 21674136 CKQHVXJSELYFLZ-UHFFFAOYSA-N 351.475 3.553 0 40 FHAB CN(C)[C@H](CNCc1cc(Cl)c2c(c1)OCCCO2)Cc1ccccc1 21841814 HKESSPYKWDPYNX-SFHVURJKSA-N 374.912 3.764 0 40 FHAB CCN(CC)C1=NC(=O)[C@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)S1 22195131 DCDQVFKXYSYDHH-LBPRGKRZSA-N 374.293 3.662 0 40 FHAB C[C@@H](c1nnc(-c2ccc(F)cc2)o1)N1CCN(Cc2ccccc2)CC1 22200910 UXXJIUVTKSOZRP-INIZCTEOSA-N 366.440 3.755 0 40 FHAB C[C@@H](NC[C@H](c1ccco1)N1CCCCC1)C(=O)Nc1ccc(F)cc1 22804463 RTUNJAOKVMRPCL-CRAIPNDOSA-N 359.445 3.563 0 40 FHAB NC(=O)c1ccc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1 23045195 XTONHFOEIFCDJI-UHFFFAOYSA-N 365.429 3.873 0 40 FHAB C[C@@H](Sc1ccc(Cl)nn1)C(=O)NC12CC3CC(CC(C3)C1)C2 23203674 XWQLIVXUYUEVQI-LKBWSCCASA-N 351.903 3.696 0 40 FHAB Clc1ccccc1-c1nnc(CN2CCN(Cc3ccccc3)CC2)o1 23249161 MFUHRCRCWRMMAD-UHFFFAOYSA-N 368.868 3.708 0 40 FHAB CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 24870946 AIVZNAJYSAGFRZ-UHFFFAOYSA-N 365.454 3.735 0 40 FHAB CNC(=O)c1ccc(C)c(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 24921158 YBNNKIFCIRQTBG-UHFFFAOYSA-N 361.445 3.967 0 40 FHAB COC(=O)COc1cccc(NC(=O)C2(c3cccc(Cl)c3)CCC2)c1 25468279 RHBVZDYYQCBISY-UHFFFAOYSA-N 373.836 3.952 0 40 FHAB CC(C)[C@H](CNC(=O)c1cccnc1Cl)N1CCc2ccccc2C1 29173737 VUDNZUREYDJDIA-SFHVURJKSA-N 357.885 3.548 0 40 FHAB COc1ccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)cc1C 30334486 BJYLYARMDQVYLC-UHFFFAOYSA-N 371.458 3.514 0 40 FHAB COc1cc2c(cc1CN[C@H](c1ccccc1)c1nccn1C)O[C@H](C)C2 30643474 XLPGIVOPMKAQCC-QVKFZJNVSA-N 363.461 3.631 0 40 FHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)c1 30751565 KPFRQMJTQXEXME-GOSISDBHSA-N 363.461 3.881 0 40 FHAB CCc1ccc(OCC(=O)Nc2cccc(SC)c2)c(-n2cnnc2)c1 32646868 HEDHDGFWBJMKAP-UHFFFAOYSA-N 368.462 3.569 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@H](C)c1nc2ccccc2[nH]1 32768753 BZGXZVKOAMIPPB-JLTOFOAXSA-N 374.444 3.704 0 40 FHAB CCC[C@@H](C)NC(=O)CCc1c(C)nc(SCc2ccccc2)[nH]c1=O 32901756 XAXMPKUWILSTML-CQSZACIVSA-N 373.522 3.608 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3ccc4nsnc4c3)no2)cc1 35671136 OISKGCZMUSURJS-UHFFFAOYSA-N 352.375 3.607 0 40 FHAB Cc1nnc(NC(=O)CCn2ccc3cc(Br)ccc32)s1 36357038 QSNGZPRAQRVVFM-UHFFFAOYSA-N 365.256 3.593 0 40 FHAB Cc1ccc(OCCN(C)C(=O)c2cnn(-c3ccccc3F)c2C)cc1 36664418 CCSQYRNLUDBTQB-UHFFFAOYSA-N 367.424 3.779 0 40 FHAB Cc1cc2nc([C@H]3CCCN(CC[C@H](C)c4ccc(C)o4)C3)cc(N)n2n1 36719059 YBOGQKCZIQEJOG-YOEHRIQHSA-N 367.497 3.895 0 40 FHAB Cc1ccc(-c2csc(CNC(=O)c3cccc(NC(N)=O)c3)n2)cc1 40115230 IUCFUGCAJVCWMP-UHFFFAOYSA-N 366.446 3.539 0 40 FHAB C[C@H](NC(=O)COCCOc1ccccc1)c1cccc(C(F)(F)F)c1 40130408 QBRLSEVASWJCQZ-AWEZNQCLSA-N 367.367 3.978 0 40 FHAB CCCCOc1cccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)c1 41014674 NZLLJYYBBQEKKM-CQSZACIVSA-N 368.433 3.862 0 40 FHAB NC(=O)c1c(NC(=O)C2(c3ccccc3)CCCC2)sc2c1CCC2 41091659 XXCDVIPGODFYGG-UHFFFAOYSA-N 354.475 3.786 0 40 FHAB O=C(NCCc1cnn(-c2ccccc2)c1)[C@@H]1CCC[C@H](C(F)(F)F)C1 44414296 NWKPRIDSHLXDBQ-CVEARBPZSA-N 365.399 3.900 0 40 FHAB O=C(Nc1ccnn1Cc1cccc(Br)c1)c1ccccc1 44532463 IFFIRPBBFDCVEW-UHFFFAOYSA-N 356.223 3.946 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)NCc1ccc(OC(C)C)nc1 44740051 CKRSXOFEOYALNQ-UHFFFAOYSA-N 353.397 3.795 0 40 FHAB CCN(Cc1ccccc1Cl)C(=O)CN1C(=O)CSc2ccccc21 45396411 POBKVXPHYYGIBE-UHFFFAOYSA-N 374.893 3.827 0 40 FHAB COC(=O)[C@H]1CC(=O)N(c2cc(-c3nc4ccccc4o3)ccc2Cl)C1 45887462 FDUGIIMLJCHWQD-LBPRGKRZSA-N 370.792 3.674 0 40 FHAB CC[C@@H](NC(=O)N1CCN(c2nccs2)CC1)c1cccc(Cl)c1 46041086 SGLQTKLDOATKFE-OAHLLOKOSA-N 364.902 3.779 0 40 FHAB CC(C)(C)OC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 47539672 DROWWMOQDRCQGK-UHFFFAOYSA-N 369.303 3.938 0 40 FHAB Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N2CCCC[C@H]2CCO3)c(C)o1 49030254 AVELEPMBVDAKTL-INIZCTEOSA-N 368.433 3.926 0 40 FHAB CC(C)(C)NC(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1 57487301 ZQFMGORRSYXLPV-UHFFFAOYSA-N 358.829 3.773 0 40 FHAB CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(C)nc3ccccc23)cc1 57986745 FNWIIIKJMFEJOL-UHFFFAOYSA-N 369.446 3.557 0 40 FHAB NC(=O)N[C@@H](CC(=O)Nc1cccc(-c2nccs2)c1)c1cccs1 58209736 KOZFMKFTUZFNCZ-ZDUSSCGKSA-N 372.475 3.610 0 40 FHAB CCOc1ccc(CCC(=O)Nc2[nH]nc(-c3ccncc3)c2C)cc1 58225244 YETACDJTWPPOBT-UHFFFAOYSA-N 350.422 3.750 0 40 FHAB O=C(NCc1ccc(-n2ccnc2)nc1)c1cc2c(F)cccc2s1 58226693 QMOMRJOSWJENQW-UHFFFAOYSA-N 352.394 3.551 0 40 FHAB CN(C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2)[C@H]1CCCCNC1=O 58309584 JSMPLGGYZMDZOE-CABCVRRESA-N 362.539 3.640 0 40 FHAB CC(C)OCCC(=O)NCc1ccc(CN2CCc3ccccc32)cc1 58774727 HJNIVSDOJKMQOU-UHFFFAOYSA-N 352.478 3.681 0 40 FHAB Cc1cc(C)cc(N(C)S(=O)(=O)c2cc(C(=O)O)c(F)cc2Cl)c1 63877813 BQUXGUMFTOEHCJ-UHFFFAOYSA-N 371.817 3.619 0 40 FHAB C[C@](O)(CNC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 70639845 VULDFIWOBWNOJY-QHCPKHFHSA-N 360.457 3.983 0 40 FHAB COc1cc(C)cc2c(C)c(C(=O)OCc3cccc(C(N)=O)c3)oc12 72305564 FJEGVHUMEHCPJH-UHFFFAOYSA-N 353.374 3.514 0 40 FHAB CC(C)CCn1cc(C(=O)N[C@@H]2CCOC(C)(C)C2)c2ccccc2c1=O 72325665 RBJYCTGPPIANSL-MRXNPFEDSA-N 370.493 3.735 0 40 FHAB biogenic CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)C2CCCC2)nc1C 72345520 CCOZRJJGNXZBJW-GOSISDBHSA-N 372.513 3.511 0 40 FHAB Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(Cc3ccccn3)C2)n1 72345971 JPHDDEAOKQYZHE-MRXNPFEDSA-N 363.440 3.640 0 40 FHAB O=C(CSc1ccc2c(c1)CCC2)Nc1ccc(N2CCOC2=O)cc1 78648466 FTILSMBZWXFTRT-UHFFFAOYSA-N 368.458 3.863 0 40 FHAB C[C@H]1CN(CCCCNc2ncnc3c2oc2ccccc23)C[C@@H](C)O1 79063607 KOEPTOYJNUGADY-GASCZTMLSA-N 354.454 3.677 0 40 FHAB Cc1csc(NC(=O)CCc2nc(-c3ccc4cc[nH]c4c3)no2)n1 79474729 QNWWDVADMBJBRA-UHFFFAOYSA-N 353.407 3.554 0 40 FHAB CC(C)n1nc(O)c2c1N=C(O)CS[C@@H]2c1c[nH]nc1-c1ccccc1 79484383 CJCIAXZZJSRDAY-MRXNPFEDSA-N 369.450 3.984 0 40 FHAB COC(=O)c1nc(NC(=O)CCc2ccc3c(c2)CCO3)sc1C(C)C 79493320 PKEZFRVWRYFKPB-UHFFFAOYSA-N 374.462 3.559 0 40 FHAB Cc1nc(N(C[C@H]2CCCO2)C[C@H]2CCCO2)c2c3c(sc2n1)CCC3 84271685 XVJBJPLNXLUQNK-HUUCEWRRSA-N 373.522 3.653 0 40 FHAB COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)c1cnc(-c2ccsc2)s1 89919293 MUYMIXYYFFQZMX-PXAZEXFGSA-N 364.492 3.723 0 40 FHAB C[C@H](CSc1ccc(F)cc1)C(=O)NCC1([C@@H](C)CCO)CCC1 95463252 HPLPXRANHIYWFG-CABCVRRESA-N 353.503 3.859 0 40 FHAB Cc1nc2cc(CSc3nnc(NC[C@@H]4CCCO4)s3)ccc2[nH]1 95941661 LLYMWGVCUFMZQZ-LBPRGKRZSA-N 361.496 3.606 0 40 FHAB O=c1ccnc2sc(N3CCCCC[C@@H]3/C=C/c3ccccc3)nn12 95945015 UPBQULOENFJVBV-SIFUEBAJSA-N 352.463 3.613 0 40 FHAB COc1ccc(CNc2ccc(-n3cccn3)nc2)cc1OCC(C)C 97143598 FYDQAKQIEFRZRJ-UHFFFAOYSA-N 352.438 3.923 0 40 FHAB COc1ccccc1-c1ccc(=O)n(CN2C[C@]3(C)C[C@@H]2CC(C)(C)C3)n1 101351913 AISXYADEAKLWAX-KSFYIVLOSA-N 367.493 3.777 0 40 FHAB COc1ccc(OC)c(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 109477336 UFBAPYDPDPVLBX-UHFFFAOYSA-N 365.433 3.818 0 40 FHAB Cc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1C 225469123 UAAQCXVAXUGUSD-IBGZPJMESA-N 366.505 3.788 0 40 FHAB O=C(CSCc1ccccc1)Nc1cnc2cc(C(F)(F)F)nn2c1 225571481 ZTRDMQPPJDOJDY-UHFFFAOYSA-N 366.368 3.620 0 40 FHAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc3c(c2)OCCO3)cc1C 225790390 HKEWPWJIQXHQJC-HNNXBMFYSA-N 372.490 3.829 0 40 FHAB CCOc1ccc(-c2noc(CNC(=O)Cc3ccc(CC)cc3)n2)cc1 225795208 WRCNIHSXWDZCBL-UHFFFAOYSA-N 365.433 3.557 0 40 FHAB COC(=O)c1cc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)ccc1OC(C)C 225807507 PYIHUXVPIXCAJZ-XOBRGWDASA-N 363.454 3.794 0 40 FHAB CCCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCCC2)n1 225885225 RJVWBCONCVVHJB-UHFFFAOYSA-N 371.510 3.956 0 40 FHAB CC1(C(=O)Nc2ccc(OC(F)(F)F)cc2)COC2(CCCC2)OC1 225916179 NNDCVVAEIMBOCQ-UHFFFAOYSA-N 359.344 3.847 0 40 FHAB CC1(c2ncc(Cc3ccccc3)o2)CCN(C(=O)c2ccncc2)CC1 257296459 RCXSEEPHSPMBHY-UHFFFAOYSA-N 361.445 3.854 0 40 FHAB O=C(Cc1ccsc1)N1CCC[C@@H]1c1ccc(CN2CCCC2)cn1 257340342 ZFPHILLXUDJSPN-LJQANCHMSA-N 355.507 3.645 0 40 FHAB O=C(c1cc(-c2cccs2)[nH]n1)N1CCC[C@]2(C1)OCc1ccccc12 330043258 CKBLJGZYYJVYCE-HXUWFJFHSA-N 365.458 3.800 0 40 FHAB O=C(c1ccc2c(n1)CCCC2)N1C[C@H](n2cccn2)Cc2ccccc21 333435728 IQMUIFVPMMFQOD-GOSISDBHSA-N 358.445 3.601 0 40 FHAB COc1cccc(NC(=O)Cn2nc(-c3ccc(C)cc3)oc2=S)c1 409158778 LSHFQENTKBKPSF-UHFFFAOYSA-N 355.419 3.828 0 40 FHAB C[C@@H]1CCC[C@H]2C1=NN(C(=O)CCc1ccccc1)[C@@]2(O)C(F)(F)F 409183829 VIRFGNFKMHKNRO-IFIJOSMWSA-N 354.372 3.505 0 40 FHAB O=C(CN1C(=O)S/C(=C\c2ccccn2)C1=O)c1ccc(Cl)cc1 409311775 HYFAEUAPCNLSNH-DHDCSXOGSA-N 358.806 3.654 0 40 FHAB CC[C@@H]1C[C@H](C(=O)Nc2ccccc2Oc2cccc(F)c2)CC(=O)N1 542612778 ZTMAMMKPGFDXQX-DZGCQCFKSA-N 356.397 3.861 0 40 FHAB Oc1nnc(-c2nc(C(F)(F)c3ccc(F)cc3)no2)c2ccccc12 547078737 YXSMSFHEGDJOAB-UHFFFAOYSA-N 358.279 3.665 0 40 FHAB O=C(O)c1ccc(-c2nc(CN3CCOC[C@H](C4CCC4)C3)cs2)cc1 565600549 OVUGGERPZSICQB-QGZVFWFLSA-N 372.490 3.757 0 40 FHAB Fc1ccccc1C=C1CCN(Cc2nnc([C@@H]3CCCOC3)o2)CC1 644248377 BXWUMCWMUAVDSN-QGZVFWFLSA-N 357.429 3.782 0 40 FHAB Cc1ccc(NC(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)cc1Cl 664327205 IFHBBIOPGOXFCH-GOSISDBHSA-N 373.884 3.537 0 40 FHAB O=C(CCc1ccccc1F)NC[C@@H](O)c1ccc(-c2ccco2)cc1 675008333 SBUYNSJWVADOBV-LJQANCHMSA-N 353.393 3.868 0 40 FHAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@@H](CC)c2cc(F)ccc2OC)c1 1638716025 HSMMEABXSFCPBZ-INIZCTEOSA-N 372.396 3.546 0 40 FHAB Cc1ccccc1CN1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1 1888930397 FXGOEHOKEPVBMY-UHFFFAOYSA-N 365.452 3.756 0 40 FHAB Cc1cnc(N(C)[C@H]2CCCN(C(=O)Nc3ccccc3Cl)C2)nc1 1889176692 XUXJOZTZSLUYHP-AWEZNQCLSA-N 359.861 3.571 0 40 FHAB O=C(NC[C@]1(O)CSCc2ccccc21)c1ccccc1C(F)(F)F 2087154452 SOMRZYHFGRKUQH-KRWDZBQOSA-N 367.392 3.570 0 40 FHAB C[C@@H]1CCCCN1C(=O)CSc1nnc2n1C(C)(C)Cc1ccccc1-2 882935 HFWLLNGZXQDGPP-CQSZACIVSA-N 370.522 3.729 0 40 FHAB CC(C)Cn1cc(C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2c1=O 79188767 IMCRNAGRJVKCOW-UHFFFAOYSA-N 364.401 3.639 0 40 FHAB biogenic O=C(CSc1nnc2c(Cl)cc(Cl)cn12)NC1CCCCCC1 3336609 ZLMJTUYGECIVHW-UHFFFAOYSA-N 373.309 3.967 0 40 FHAB CCOC(=O)c1cnc(SC)nc1Nc1cc(-c2ccccc2)nn1C 1017283 VHDWTZZDSIHDSI-UHFFFAOYSA-N 369.450 3.519 0 40 FHAB O=c1nc(SCc2ccc(Br)cc2)c2c([nH]1)CCCC2 4317114 YKOHSUUEZOEHII-UHFFFAOYSA-N 351.269 3.704 0 40 FHAB CCc1cccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc(C(=O)OC)cc23)c1 4852899 KSOGZOZUEGFAIV-DYESRHJHSA-N 366.417 3.805 0 40 FHAB O=C(NC[C@H]1CCCO1)c1cc2sccc2n1Cc1ccc(F)cc1 4971372 IDKMAVQEVUHJJQ-OAHLLOKOSA-N 358.438 3.799 0 40 FHAB COc1cccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 6762165 UQKHEPSPRARUBS-UHFFFAOYSA-N 372.380 3.748 0 40 FHAB O=C(c1cc2c(s1)CCCCCC2)N1CCN(c2nccs2)CC1 10269552 XBHSTIRUBFQGTI-UHFFFAOYSA-N 361.536 3.826 0 40 FHAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1 25106841 GAIWYKHTRCENNQ-KZULUSFZSA-N 374.820 3.857 0 40 FHAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccccc1C(F)(F)F 10454549 ZPJZJDYAVPUKMJ-UHFFFAOYSA-N 362.351 3.762 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)NCCSc1ccc(Cl)cc1 10759679 MSBWCYXFEYQROR-UHFFFAOYSA-N 363.866 3.910 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(-c2ccc(C=O)o2)cc1 8222086 PFQWYMOKXAXLLO-RDTXWAMCSA-N 369.417 3.611 0 40 FHAB Cc1cc(CSc2nnc(N3CCCCC3)n2-c2ccccc2)on1 8529522 QWCJTKSOBDIXMT-UHFFFAOYSA-N 355.467 3.846 0 40 FHAB CCc1ccc([C@@H](NC(=O)NC2CCC3(CC2)OCCO3)C(C)C)cc1 43864669 HNSQRAOSDGLIIO-IBGZPJMESA-N 360.498 3.931 0 40 FHAB O=c1cc(CN2CCCc3cc(F)c(F)cc32)nc2ccc(Cl)cn12 26344082 LYFMSENGOCYKCH-UHFFFAOYSA-N 361.779 3.579 0 40 FHAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)NC1CCCCC1 3228843 PPPKONZDEQJTOP-UHFFFAOYSA-N 351.446 3.811 0 40 FHAB CC(C)(C)C(=O)Cn1c(-c2ccsc2)c(-c2ccsc2)nnc1=O 57773490 BQKPDFUBBOEYKU-UHFFFAOYSA-N 359.476 3.711 0 40 FHAB CCOC(=O)Nc1cccc(NCC(=O)Nc2ccccc2C(C)=O)c1C 58162223 OWXWOOSXUASAGR-UHFFFAOYSA-N 369.421 3.817 0 40 FHAB Cc1nn(C)c(C)c1[C@@H]1CC(O)=Nc2c1c(=O)[nH]n2C1CCCCCC1 71279785 QAZBRQXMXXSOCM-AWEZNQCLSA-N 357.458 3.546 0 40 FHAB C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1cccc(CN2CCCC2=O)c1 48290488 YKDIMFNMQBCLLQ-QFBILLFUSA-N 373.497 3.526 0 40 FHAB O=C1C[C@@H](N(O)c2ccccc2)C(=O)N1c1cc(Cl)cc(Cl)c1 2261316 CXUMIBXWRDNFEW-CQSZACIVSA-N 351.189 3.521 0 40 FHAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NCCSc1ccc(C)cc1 12757159 HOQLDSJYDVVIBA-MRXNPFEDSA-N 366.486 3.719 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc3ccccc3c2)c1C 10732958 ULRCERLIDAGXSM-UHFFFAOYSA-N 365.385 3.611 0 40 FHAB CC(C)C[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1ccccc1 101032900 IGKFVPFUHTWJMI-QYZOEREBSA-N 368.408 3.550 0 40 FHAB Cc1noc2nc(C(C)C)cc(C(=O)Nc3nnc([C@H]4CCCO4)s3)c12 36366309 URLXMRMGCQXUQQ-GFCCVEGCSA-N 373.438 3.610 0 40 FHAB C[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1 12763324 QWXWNVQFJPYTKK-CQSZACIVSA-N 356.853 3.887 0 40 FHAB CC(C)(C)c1nc(CSc2nnc([C@@H]3COc4ccccc4O3)o2)no1 36735362 IVWXMYZVKWUYSU-LBPRGKRZSA-N 374.422 3.555 0 40 FHAB Cc1nccn1-c1ccc(CNC(=O)c2ccc(CN3CCCC3)cc2)cc1 20451423 VTZFHRJVLUGXHO-UHFFFAOYSA-N 374.488 3.707 0 40 FHAB Cc1ccc(-c2cc(C(=O)NCc3cccnc3)c3c(C)noc3n2)s1 29899564 YLEXCWUREMIECS-UHFFFAOYSA-N 364.430 3.893 0 40 FHAB Cc1ccccc1[C@H](C)NS(=O)(=O)c1cccc(OC(F)(F)F)c1 24370351 PBJVORPJMDTALP-LBPRGKRZSA-N 359.369 3.933 0 40 FHAB Cc1c(Br)c(-c2nnc(Cc3ccc(Cl)cc3)o2)nn1C 2804568 UBIXSAJFPMWNAS-UHFFFAOYSA-N 367.634 3.785 0 40 FHAB CC(=O)N1CCC(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)CC1 12925255 OHKZIVZSGDDYAH-KRWDZBQOSA-N 371.506 3.608 0 40 FHAB COc1ccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c(OC)c1 12987821 MUQMUACRIMLJRJ-LJQANCHMSA-N 366.417 3.607 0 40 FHAB Cc1ccc(-n2ncc3c(Nc4ccc5c(c4)OCCO5)ncnc32)cc1 6660437 HZWREBNCTCRZES-UHFFFAOYSA-N 359.389 3.639 0 40 FHAB CCOc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccc(C)cc3)o2)cc1 14720952 SXOSQJNJKBEUDZ-CQSZACIVSA-N 367.405 3.850 0 40 FHAB CC(=O)Nc1cc(NC(=O)CC2(CC(=O)O)CCCCC2)c(F)cc1F 66873825 DDEHIBWUQGPNSV-UHFFFAOYSA-N 368.380 3.677 0 40 FHAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2F)n1C 7236498 GVHGMPGSPYCRCZ-NSHDSACASA-N 360.414 3.642 0 40 FHAB COc1ccc(-c2noc([C@@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)n2)cc1 7615836 NCROUFDIKMLTER-MRXNPFEDSA-N 363.417 3.883 0 40 FHAB COc1ccc(NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 110040053 KWODCEMZVCQMEM-UHFFFAOYSA-N 372.730 3.945 0 40 FHAB CCOc1ccc(CN(C)C(=O)NCCc2ccc(F)cc2)cc1OC 9516025 QSPUZYGBTVRVAG-UHFFFAOYSA-N 360.429 3.617 0 40 FHAB CCNC(=O)NC(=O)[C@H](C)Nc1cccc(-c2nc3ccccc3s2)c1 7777406 ZDUAGACYSYVIQM-LBPRGKRZSA-N 368.462 3.609 0 40 FHAB Cc1cc(OCC(=O)NCc2nnc3ccccn23)c(C(C)C)cc1Cl 7780521 FDBDDIGKDLSXPL-UHFFFAOYSA-N 372.856 3.510 0 40 FHAB Fc1ccccc1[C@@H]1C=C(c2ccncc2)Nc2nc(C(F)(F)F)nn21 8192611 PXTQXERPBUMULW-AWEZNQCLSA-N 361.302 3.887 0 40 FHAB CC(C)c1ccccc1NC(=O)Cn1cnc2ccc(Cl)cc2c1=O 8225101 BKOBFFNZXGQBIX-UHFFFAOYSA-N 355.825 3.812 0 40 FHAB Cc1ccc(SCCN2CCN(Cc3cn4ccccc4n3)CC2)cc1 96997512 NREIWMCXQMCYKO-UHFFFAOYSA-N 366.534 3.553 0 40 FHAB O=C(NC1CCN(Cc2csc(-c3ccoc3)n2)CC1)c1ccsc1 95953659 INIZCTOZAHPOEW-UHFFFAOYSA-N 373.503 3.859 0 40 FHAB Cn1ccc(NC(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)n1 95999669 BZSVNAVEFWUFRH-HNNXBMFYSA-N 366.425 3.619 0 40 FHAB COc1cc(C=O)c(Br)cc1OCc1cccc(C(=O)O)c1 408859558 VCUXOWFPNIABNJ-UHFFFAOYSA-N 365.179 3.547 0 40 FHAB O=C(N[C@@H]1CCN(Cc2ccsc2)C1)c1ccc(-n2cccc2)cc1 675007981 ITEFRPMVJFPRRB-GOSISDBHSA-N 351.475 3.543 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)c1C 216267608 INCKOEMBLZRBSE-MRXNPFEDSA-N 354.450 3.848 0 40 FHAB CCOc1ccc(-c2nc(N)ncc2-c2ccc(OC)c(OC)c2)c(O)c1 5352235 AMIINTJGPBEVFA-UHFFFAOYSA-N 367.405 3.514 0 40 FHAB biogenic CCCCNc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(=O)O 217581869 ILGFIWQARMYUMR-UHFFFAOYSA-N 368.499 3.598 0 40 FHAB O=C(c1cnccn1)N1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 72357832 JZKZTCVZAQPQBM-FQEVSTJZSA-N 362.408 3.579 0 40 FHAB CCN1CCN(c2ccccc2NC(=O)c2ccc(F)cc2Cl)CC1 32504938 RVKYHOJRGMNROV-UHFFFAOYSA-N 361.848 3.873 0 40 FHAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1coc(NC(=O)C2CC2)n1 70638793 FIPQQEQGKQOERE-UHFFFAOYSA-N 359.385 3.847 0 40 FHAB C[C@H]1CCC[C@H](C)N1C[C@@H](O)COCCOC12CC3CC(CC(C3)C1)C2 72238839 OOGFLUIOEMMFGW-XYOAMNRESA-N 365.558 3.612 0 40 FHAB CCc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(OC)cc2OC)cc1 72329160 XRNIJUKGJVXXCA-UHFFFAOYSA-N 365.433 3.586 0 40 FHAB CCOc1ccccc1N1C(=O)C[C@H](Nc2c(C)cc(C)cc2C)C1=O 36635670 QTZXTDAXHREKKO-INIZCTEOSA-N 352.434 3.755 0 40 FHAB Cc1ccnn1-c1ccc(C(=O)NCCCCN2C[C@@H](C)C[C@H](C)C2)cc1 40108511 MSSGMHBFLMPHOW-ROUUACIJSA-N 368.525 3.669 0 40 FHAB Cc1ccccc1OCC(=O)Nc1cc(N)ccc1N1CCCC[C@H]1C 226253339 GTMCZCAAHQUTQM-MRXNPFEDSA-N 353.466 3.974 0 40 FHAB CC(C)(C)OC(=O)N1CCC(=O)[C@H](Cc2cccc(Br)c2)C1 228909957 UTADSQVKICTQEX-CYBMUJFWSA-N 368.271 3.818 0 40 FHAB COc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1Cl 40114269 ZDFRYHWUVBHFPA-UHFFFAOYSA-N 365.260 3.964 0 40 FHAB CCOC(=O)c1cc(NC(=O)C(C)(C)OCC)ccc1OCC(C)C 225813976 YRYHBGSBDXNZPT-UHFFFAOYSA-N 351.443 3.652 0 40 FHAB Cc1cccc(OCCNS(=O)(=O)Cc2c(Cl)cccc2Cl)c1 224213226 SWLOCMVPTHKAID-UHFFFAOYSA-N 374.289 3.800 0 40 FHAB Cc1ccc([C@H]2[C@H](C(=O)Nc3c(C)nn(C(C)C)c3C)CC(=O)N2C)cc1 96181246 GKBCQZSXTQUKIF-XLIONFOSSA-N 368.481 3.547 0 40 FHAB Cc1cccc(O[C@@H]2CCN(C(=O)c3cc(Br)cs3)C2)n1 238872521 NGFSFRKVJLOIIB-GFCCVEGCSA-N 367.268 3.508 0 40 FHAB Cc1nc([C@H](Cc2ccsc2)NC(=O)[C@H]2C[C@H]3C=C[C@H]2O3)sc1C 251981874 GBYWVDVCHUMISO-FXUDXRNXSA-N 360.504 3.565 0 40 FHAB O=C(c1cnco1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257337472 YSXQMUMOFMDIQV-AWEZNQCLSA-N 371.824 3.927 0 40 FHAB CN(C)c1nc([C@H]2CCCN2C(=O)c2ccccc2F)cn2cccc12 257323284 WJMRRDQWUNALQE-QGZVFWFLSA-N 352.413 3.517 0 40 FHAB Cc1ccc(Nc2nc([C@@H]3CCCN3Cc3nccn3C)cs2)nc1 257323031 WIMOQTCJRICSDC-HNNXBMFYSA-N 354.483 3.661 0 40 FHAB Cc1cccc(Nc2nccnc2[C@@H]2CCCN2C(=O)c2cccc(C)n2)n1 257254298 KCNCZSZVQDNASI-KRWDZBQOSA-N 374.448 3.604 0 40 FHAB O=C(c1cccnc1N1CCOCC1)N1Cc2ccccc2-c2ccccc21 612665348 PHJZRMCOLWUUDO-UHFFFAOYSA-N 371.440 3.746 0 40 FHAB CO[C@@H](C(=O)N(c1ccc(F)c(Cl)c1)c1nccs1)[C@H]1CCOC1 622835055 GXBDOAYUZMRSLK-IINYFYTJSA-N 370.833 3.652 0 40 FHAB O=C(c1cnc(CN2CCCC2)s1)N1CCCC[C@@H]1c1cccnc1 97295070 GLEJIBBFIBIUIQ-MRXNPFEDSA-N 356.495 3.501 0 40 FHAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)NC(=O)CO2 84734576 VLIMKQUOPYSPQL-HKUYNNGSSA-N 364.445 3.816 0 40 FHAB CN(C)Cc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1 1578606 NOHFHPIPRSKJQF-UHFFFAOYSA-N 359.429 3.922 0 40 FHAB in-vitro O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc(OCc2ccccc2)cc1 20144996 JXRWJVHZZNBCNF-UHFFFAOYSA-N 363.369 3.922 0 40 FHAB O=c1oc2ccccc2n1[C@@H]1CCCN(Cc2ccc3ncccc3c2)C1 12089307 OTNCQPUYGFHQJG-GOSISDBHSA-N 359.429 3.980 0 40 FHAB Cc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c2c(C)noc2n1 19715844 LNGHXLGIHABODF-OAHLLOKOSA-N 351.406 3.872 0 40 FHAB CC[C@@H](CN1CCOCC1)n1cncc1-c1[nH]c2ccccc2c1Cl 19719314 UFPICQXCNPHJLA-AWEZNQCLSA-N 358.873 3.968 0 40 FHAB O=C(NCC1CCN([C@H]2CCSC2)CC1)c1cccc(C(F)(F)F)c1 225570181 HSXOHZGWBVFKTC-INIZCTEOSA-N 372.456 3.653 0 40 FHAB Brc1ccc2c(c1)CNCCN(Cc1ccccc1)CCCN2 643588390 WEPIKHAVJOURBM-UHFFFAOYSA-N 374.326 3.857 0 40 FHAB Cc1cc([C@@H]2CN(C(=O)c3[nH]c4ccc(F)cc4c3C)CCO2)ccn1 1848352165 WTFHMQMXFHURAL-SFHVURJKSA-N 353.397 3.533 0 40 FHAB Cc1cc(C)cc(-c2nnc(SCC(=O)N3C[C@@H](C)C[C@H](C)C3)o2)c1 5794239 SZQPVGLNGVAELV-GJZGRUSLSA-N 359.495 3.950 0 40 FHAB O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H]1c1ccccc1 12946414 SLIOGSGCOQNPFB-INIZCTEOSA-N 366.280 3.975 0 40 FHAB Cc1ccccc1NC(=O)N1C[C@@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888897362 MELVYHQPOVFZEY-YWZLYKJASA-N 370.428 3.637 0 40 FHAB COc1ccc(-c2cs/c(=N\c3ccccc3)n2CCCO)cc1OC 9317559 GZYLDAHZAOYQBD-MRCUWXFGSA-N 370.474 3.849 0 40 FHAB CC(=O)Nc1ccc(-n2c(C)cs/c2=N\C(=O)c2ccccc2)cc1 100840899 NSFJWSREFVUCCF-VZCXRCSSSA-N 351.431 3.547 0 40 FHAB Cn1cc([C@@H]2CN(C(=O)CCc3ccccc3F)Cc3ccccc32)cn1 585410292 ZFSAZDLWWIHFPZ-FQEVSTJZSA-N 363.436 3.666 0 40 FHAB COc1ccc([C@H]2C3=C(Nc4ncnn42)c2ccccc2CC3)cc1OC 13123940 XSLPWONOXQYFGE-FQEVSTJZSA-N 360.417 3.668 0 40 FHAB Cc1ccc(-c2cc(C(=O)N3CCN(C)C[C@H]3c3ccccc3)[nH]n2)cc1 30030589 CQLAQOPKKIYQKQ-NRFANRHFSA-N 360.461 3.514 0 40 FHAB O=C(CCNC(=O)c1ccsc1)OCc1ccc(C(F)(F)F)cc1 30517513 OEEOPYXAIHTRBW-UHFFFAOYSA-N 357.353 3.630 0 40 FHAB Cc1ccc(F)c(S(=O)(=O)NCc2cc3cc(F)ccc3s2)c1 40135562 POHWGOQJNOFMCQ-UHFFFAOYSA-N 353.415 3.966 0 40 FHAB O=C(CCS(=O)(=O)C1CCCC1)N[C@@H](c1cccs1)C1CCCC1 40134277 DJJNONOQGKHPLM-GOSISDBHSA-N 369.552 3.843 0 40 FHAB Cc1cnc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)s1 40140520 QSFVAWDMCOQMSR-UHFFFAOYSA-N 360.389 3.656 0 40 FHAB CCOC(=O)Cc1csc(SCC(=O)c2ccc(F)c(F)c2)n1 40159190 NBPKZPQYZBLRPT-UHFFFAOYSA-N 357.403 3.502 0 40 FHAB O=C(Cc1cc2ccccc2[nH]c1=O)Nc1ccccc1N1CCCCC1 40143458 UNZVJWRRDUIVQE-UHFFFAOYSA-N 361.445 3.700 0 40 FHAB C[C@H](OCC(F)(F)F)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 31712944 HUAGWXIHZVEXJV-KWQFWETISA-N 353.793 3.961 0 40 FHAB CCc1c(C)sc2nc(NC[C@H](C)O)n3nc(-c4ccccc4)nc3c12 32091130 CUHIZRJMJKWMPN-NSHDSACASA-N 367.478 3.670 0 40 FHAB O=c1ccc2ccc(OS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2o1 21224454 YXHDJILOTZKLLU-UHFFFAOYSA-N 371.197 3.868 0 40 FHAB C[C@@H]1CCc2sc(C(=O)Nc3ccccc3SCC(N)=O)cc2C1 32741087 MTTAOBNBCKVFQN-LLVKDONJSA-N 360.504 3.703 0 40 FHAB Cc1ccc2nc(-c3ccccc3)c(CSc3nnnn3C3CC3)n2c1 32830343 ARPKWINFJNEQMP-UHFFFAOYSA-N 362.462 3.923 0 40 FHAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3nnc(CC(C)C)s3)c12 21996853 AZKMBHWWWBVUQO-UHFFFAOYSA-N 357.439 3.711 0 40 FHAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)Nc1cc(-c2cccs2)n[nH]1 103689845 NMTZUCQQLVJSHR-NYYJTOMGSA-N 357.479 3.798 0 40 FHAB CCOC(=O)c1cc2sccc2n1CC(=O)N1c2ccccc2C[C@H]1C 1338138 RUTPMPRKXUCPQD-CYBMUJFWSA-N 368.458 3.857 0 40 FHAB aggregator C[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(-n2ccnc2)cc1 12506900 BXGSDLJOTQBSHJ-CQSZACIVSA-N 355.825 3.782 0 40 FHAB Cc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)oc2c(Cl)cccc12 23080106 WXXFJPLGSWEJQP-UHFFFAOYSA-N 372.808 3.586 0 40 FHAB Cn1ccnc1[C@H](NC(=O)Cc1ccc2c(c1)CCCC2)c1ccccc1 23774867 JSTOUNAXMHTCQL-JOCHJYFZSA-N 359.473 3.747 0 40 FHAB O=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)N1CCCc2ccccc21 4315045 HMHSWLASDRXFQZ-UHFFFAOYSA-N 374.488 3.722 0 40 FHAB CCOc1ccc(C(=O)Nc2nnc(CCc3ccccc3)s2)cc1 4695034 NWGGAQIADWITAH-UHFFFAOYSA-N 353.447 3.974 0 40 FHAB O=C(NC1CCN(C(=S)Nc2ccc(Cl)cc2)CC1)c1ccco1 4888647 VXDKCNZIIORNFT-UHFFFAOYSA-N 363.870 3.524 0 40 FHAB CCOC(=O)c1ccsc1NC(=O)CN[C@H](C)c1ccc(Cl)cc1 12553293 RXMMBAKPBLSWPG-LLVKDONJSA-N 366.870 3.868 0 40 FHAB O=S(=O)(NCCSCc1ccccc1)c1ccc(F)c(Cl)c1 7689488 NGLLJJJNSRKSIS-UHFFFAOYSA-N 359.875 3.691 0 40 FHAB Cc1cc(C)cc(OCC(=O)OCC(=O)c2cc(C)n(C3CC3)c2C)c1 7794398 IWKXHIMFSAYQEZ-UHFFFAOYSA-N 355.434 3.862 0 40 FHAB CCC(=O)Nc1ccc(NC(=O)N[C@H]2CCOc3ccccc32)cc1C 47968732 HXIVTHBVPVPQJO-KRWDZBQOSA-N 353.422 3.989 0 40 FHAB COc1cc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc(OC)c1 24964829 HHHVISREJWJAOI-UHFFFAOYSA-N 357.797 4.000 0 40 FHAB COCc1cccc(C(=O)Nc2ccc(C)cc2OC[C@H]2CCCO2)c1 55653391 FHINLJQXTIAALC-GOSISDBHSA-N 355.434 3.952 0 40 FHAB COCCOc1ncccc1C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 84673352 DHXWLJUSGVSIGO-GOSISDBHSA-N 354.450 3.649 0 40 FHAB CCCOC(=O)c1cccc(NC(=O)[C@]23CC[C@@](C)(C(=O)C2)C3(C)C)c1 100814682 IHTLCXDXZUISPB-SFTDATJTSA-N 357.450 3.977 0 40 FHAB O=Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(Br)c1 9397068 OIQUNTATIBALLA-UHFFFAOYSA-N 368.614 3.933 0 40 FHAB Cc1ccc(C(=O)N[C@H](C)c2cccc(Cl)c2)cc1NS(C)(=O)=O 44285330 AOZAXMXZZCBWNY-GFCCVEGCSA-N 366.870 3.511 0 40 FHAB C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[C@@H](C)c3ccc(F)cc3)CC2)C1 57474088 CHXAZUAUZKZPQG-IAGOWNOFSA-N 374.500 3.816 0 40 FHAB CCc1nnsc1C(=O)NCCc1ccc(-c2csc(C)n2)cc1 48262446 YUIZGOUTTMOULD-UHFFFAOYSA-N 358.492 3.505 0 40 FHAB C[C@H](NC(=O)CSc1nc(C2CC2)nn1-c1ccccc1)c1ccco1 10028938 UXGQOLKZBLTWAY-ZDUSSCGKSA-N 368.462 3.707 0 40 FHAB COc1cc(N[C@@H](C)C(=O)Nc2ccccc2C)ccc1N1CCCC1=O 10184971 SAMSRPUZPHJNRR-HNNXBMFYSA-N 367.449 3.570 0 40 FHAB O=C(Nc1ccc(-n2cncn2)c(F)c1)c1ccccc1C(F)(F)F 58162397 YNKABKHDWMXMSC-UHFFFAOYSA-N 350.275 3.678 0 40 FHAB COc1ccc(OCCNC(=O)Cc2coc3cc4c(cc23)CCC4)cc1 12796529 OOANQVSTKMOTLB-UHFFFAOYSA-N 365.429 3.668 0 40 FHAB Cc1cc(S(=O)(=O)NCc2cccs2)c(C)cc1Br 27823999 WJBKNTUURGPFQQ-UHFFFAOYSA-N 360.298 3.606 0 40 FHAB COc1ccc(C(=O)COC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1OC 3390001 PPJNITYACKRDBJ-LBPRGKRZSA-N 374.458 3.930 0 40 FHAB CC(=O)N[C@H]1C(=O)N(CCOc2cccc3ccccc23)c2ccc(C)cc21 100485486 LFCLSYKMYCCYAQ-JOCHJYFZSA-N 374.440 3.751 0 40 FHAB CC(C)c1ccc2c(c1)CCCN2C(=O)c1ccc(CNC(N)=O)cc1 58456795 QEGCADTWTOTFSA-UHFFFAOYSA-N 351.450 3.571 0 40 FHAB CCOC(=O)[C@@](NC(=O)CC(C)C)(Nc1ccc(C)cc1C)C(F)(F)F 2271645 XYPLSDNWFZQPFC-KRWDZBQOSA-N 374.403 3.699 0 40 FHAB CCOc1ccc(N[C@H](C)c2ccc(F)cc2)cc1S(=O)(=O)N(C)C 36397409 JMKBVUHJGDYBIJ-CYBMUJFWSA-N 366.458 3.648 0 40 FHAB O=C(COC(=O)C1(c2ccccc2)CC1)c1ccccc1Br 20863636 KVPVKZPZHMTCON-UHFFFAOYSA-N 359.219 3.907 0 40 FHAB CCc1nnsc1C(=O)NCc1ccc(CN2C[C@@H](C)C[C@@H](C)C2)cc1 48310341 YVYHVDOXTORDBU-GASCZTMLSA-N 372.538 3.508 0 40 FHAB Cc1nc(CCNC(=O)c2cc3cc(Br)ccc3[nH]2)cs1 23024155 ZYFVJXQIUCZFTL-UHFFFAOYSA-N 364.268 3.668 0 40 FHAB CCN(CC)S(=O)(=O)c1cccc(-c2csc(-c3cccnc3)n2)c1 2416939 JVCHOGUSVOTRCA-UHFFFAOYSA-N 373.503 3.903 0 40 FHAB COC(=O)[C@H](c1ccccc1Cl)N1CCO[C@@H](c2ccc(F)cc2)C1 29658437 ZSUHWVDFGFSSPT-MSOLQXFVSA-N 363.816 3.767 0 40 FHAB Clc1ccc(-n2nnnc2SCc2nnc(-c3ccccc3)o2)cc1 3531722 WKSDLRFOYQTPND-UHFFFAOYSA-N 370.825 3.658 0 40 FHAB CCOC(=O)c1sc(NC(=O)COc2ccccc2Cl)cc1C 3553182 QNNPDKJLKCVFOD-UHFFFAOYSA-N 353.827 3.904 0 40 FHAB O=C(Nc1ccccc1)c1sc(N2CCOCC2)nc1-c1ccccc1 2705612 CULSAAANTMTVNI-UHFFFAOYSA-N 365.458 3.899 0 40 FHAB Cc1cccc(C(=O)O)c1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 13464625 QWDGODFZVIRJMB-UHFFFAOYSA-N 359.325 3.513 0 40 FHAB CN(C)C(=O)[C@H](c1ccccc1)N(C)Cc1ccc(Br)cc1 39985895 OSDJFMYLRWVEGC-KRWDZBQOSA-N 361.283 3.710 0 40 FHAB C[C@H](NC(=O)COc1ccc2ccc(=O)oc2c1)c1ccccc1Cl 5222636 FIONNHKFBCUSAW-LBPRGKRZSA-N 357.793 3.703 0 40 FHAB Nn1c(SCc2ccc(Br)cc2)nnc1-c1cccs1 9290967 RACISQYAVASQRG-UHFFFAOYSA-N 367.297 3.775 0 40 FHAB Cc1ccccc1SCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 14139925 FLKPWMVNXQYAMU-UHFFFAOYSA-N 360.504 3.765 0 40 FHAB O=C(CCCOc1ccccc1)NCc1nc(-c2ccc(Cl)cc2)no1 5422774 RKKXYMHCUSQDRF-UHFFFAOYSA-N 371.824 3.865 0 40 FHAB CCOC(=O)[C@@]1(c2c[nH]c3ccccc23)Sc2ccccc2NC1=O 6784439 OLPIFCGLVYIENC-IBGZPJMESA-N 352.415 3.671 0 40 FHAB COC(=O)c1c(NC(=O)NC2CCCCC2)sc2c1CC(C)(C)OC2 6764244 CRKNJUOCYGEFKX-UHFFFAOYSA-N 366.483 3.840 0 40 FHAB CCC(=O)N1c2ncnn2[C@H](c2ccccc2)C[C@@H]1c1ccc(OC)cc1 4815105 DFWOHHFCNGPSGZ-MOPGFXCFSA-N 362.433 3.764 0 40 FHAB COc1cc(C(=O)Nc2cc(-c3ccccc3)no2)cc(OC)c1OC 6811471 QSCVGRKSPUKLQD-UHFFFAOYSA-N 354.362 3.620 0 40 FHAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OC)c(OC)c3)S2)cc1 408781703 DBWZOOBRFVAXTN-SQWSFHKJSA-N 370.474 3.866 0 40 FHAB Cc1ccccc1C(=O)N1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1 7038613 XUNCNCPJURMWSQ-KRWDZBQOSA-N 350.462 3.725 0 40 FHAB CC(=O)N(C)Cc1nc2ccccc2n1CCCOc1ccccc1C 7425413 ITJKUGZZVJTHJB-UHFFFAOYSA-N 351.450 3.792 0 40 FHAB CCc1cc2c(CSc3nnc(C4CC4)n3CC)cc(=O)oc2cc1O 7618494 CWFMLOUHRGQGTN-UHFFFAOYSA-N 371.462 3.842 0 40 FHAB Cc1ccc(-c2nc(NC(=O)c3ccccc3Br)n[nH]2)cc1 9504119 DIOKRGUPVDNMMD-UHFFFAOYSA-N 357.211 3.795 0 40 FHAB COc1cccc(-c2nc(-c3ccc4c(c3)CC(=O)N4)cs2)c1OC 7987658 FUKBILSGTZIPAQ-UHFFFAOYSA-N 352.415 3.989 0 40 FHAB CCOC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@H]1c1ccc(F)cc1 16494836 OLNSTDQCHQBTRX-KRWDZBQOSA-N 374.437 3.991 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1nnc(C2CC2)n1C1CC1 8257667 ZMKWIHZYOBXQNO-GFCCVEGCSA-N 372.494 3.927 0 40 FHAB CNC(=O)NC(=O)[C@H](Sc1cc(C)c2ccccc2n1)c1ccccc1 8344362 XIXTYNJFVNILJR-GOSISDBHSA-N 365.458 3.832 0 40 FHAB COC(=O)N(C)c1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1 83869361 VYZTYDMEZIDXMA-UHFFFAOYSA-N 356.275 3.698 0 40 FHAB COC(=O)c1cccc(C(=O)Nc2cccc(C3SCCS3)c2)n1 83897420 FIPQTJQOLJPPRU-UHFFFAOYSA-N 360.460 3.599 0 40 FHAB O=S(=O)(CCN1CCC(Cc2cccc(F)c2)CC1)c1ccccc1 71953124 HRQNYKHKAXHVLL-UHFFFAOYSA-N 361.482 3.554 0 40 FHAB Cc1csc(NC(=O)c2cc3cc(Br)ccc3oc2=O)n1 8772076 LQICSHZHVKGZAB-UHFFFAOYSA-N 365.208 3.573 0 40 FHAB Cc1nn(CC(C)C)c(Cl)c1C(=O)NC[C@@H](c1ccccc1)N(C)C 8772304 MPAQVRFBLGQZLT-INIZCTEOSA-N 362.905 3.534 0 40 FHAB C[C@@H](NC(=O)CSc1ncnc2sccc12)c1ccc(F)cc1F 8940993 NEXTXTZKCNIJHI-SECBINFHSA-N 365.430 3.939 0 40 FHAB Cc1cccc(-c2n[nH]c(SCC(=O)Nc3nc(C)c(C)s3)n2)c1 72191999 UAZQXWVZDQFRMZ-UHFFFAOYSA-N 359.480 3.584 0 40 FHAB c1ccc2c(c1)OC[C@H](c1nnc(SCc3cn4ccccc4n3)o1)O2 9885092 AJEJNDLADKKVSU-OAHLLOKOSA-N 366.402 3.522 0 40 FHAB Fc1cccc(NCc2noc3c2CCCC3)c1I 95976120 OESBEYJYXAZDHE-UHFFFAOYSA-N 372.181 3.909 0 40 FHAB Cc1ccc(-c2noc(-c3cccc(NC(=O)[C@H]4CCCO4)c3)n2)cc1F 95955923 NOABGRSKUMLDPN-QGZVFWFLSA-N 367.380 3.969 0 40 FHAB CCOC(=O)c1c(C2CC2)csc1NC(=O)NCCCOCC1CC1 72309712 WAVYMFOYKIKUBA-UHFFFAOYSA-N 366.483 3.740 0 40 FHAB CCOc1ccccc1-c1n[nH]c(SCc2ccc(C(=O)OC)o2)n1 26806787 ROLGANAXKFMKBU-UHFFFAOYSA-N 359.407 3.542 0 40 FHAB COc1ccc(S(=O)(=O)NCc2ccccc2F)c(Cl)c1Cl 113935655 RMJFYNMQOKPHAW-UHFFFAOYSA-N 364.225 3.620 0 40 FHAB CCCN1C(=O)S/C(=C/c2cc(Br)cc(OC)c2O)C1=O 409228645 BYUUJEUDXZNZRU-IZZDOVSWSA-N 372.240 3.610 0 40 FHAB COc1cc2c(cc1OC)[C@@H](NC(=O)c1cc(-c3cccs3)[nH]n1)CC2 524732396 YXEZRLGRSQYJJF-ZDUSSCGKSA-N 369.446 3.573 0 40 FHAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCc1nc(-c2ccccc2)no1 219048198 SWUGPOYIUOYJBB-OAHLLOKOSA-N 373.412 3.974 0 40 FHAB Cc1cc(Oc2ccccc2)nc([C@@H]2CCCN2C(=O)c2coc(C)n2)n1 72384499 ROUFUGQIJOULDI-KRWDZBQOSA-N 364.405 3.851 0 40 FHAB COCCn1ccc2c(NC(=O)c3cc(-c4ccccc4)nn3C)cccc21 79475045 VPLLQXVQXCOEEN-UHFFFAOYSA-N 374.444 3.941 0 40 FHAB CCCCc1ccc(NC(=O)CSc2ccc(-n3ccnc3)nn2)cc1 70688624 DXGXLJJGKGICDQ-UHFFFAOYSA-N 367.478 3.736 0 40 FHAB O=C(O)c1csc(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1 565601253 WHPVQWZVBJPJJZ-CYBMUJFWSA-N 373.261 3.722 0 40 FHAB O=C(O)c1cc(NC(=S)Nc2cccc(Cl)c2)cc(C(=O)O)c1 216930665 MBCLGRIDQQHGNC-UHFFFAOYSA-N 350.783 3.545 0 40 FHAB COc1ccc(-c2n[nH]cc2[C@H]2SCC(O)=Nc3c2c(C)nn3C)cc1 79502337 WQRSIBKGCKTHHR-QGZVFWFLSA-N 369.450 3.551 0 40 FHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1 224974399 OOEPVTITDBWUIL-MSOLQXFVSA-N 352.478 3.561 0 40 FHAB C[C@H]1CN(C(=O)CCCn2cc(-c3ccc(Cl)cc3)cn2)C[C@H](C)O1 227154428 RPFPATMAFJOUOP-GJZGRUSLSA-N 361.873 3.620 0 40 FHAB CN(c1ccc(Cl)c(C(=O)NC2CCCCCCC2)c1)S(C)(=O)=O 222498948 KORDVNNFLYGUNY-UHFFFAOYSA-N 372.918 3.579 0 40 FHAB CCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 225796182 AIFKUULCAGBSEC-BFUOFWGJSA-N 351.443 3.794 0 40 FHAB CCCCCCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 42646660 YOFRQIGYSPTEOZ-UHFFFAOYSA-N 350.768 3.994 0 40 FHAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl 222391670 GLEXQFKNZUUWLK-INIZCTEOSA-N 372.896 3.744 0 40 FHAB Cc1cc(C)c2c(=O)ccn(CC(=O)N[C@@H](C)CCc3ccccc3)c2c1 225757851 OJEOCIHLMMFGPX-SFHVURJKSA-N 362.473 3.756 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2c(C)cc(N)cc2Br)c1 226763296 FYSOUOZHHAJTRE-UHFFFAOYSA-N 365.227 3.609 0 40 FHAB CCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCc1ccccc1Cl 222748430 WQLFIQTYWWAROP-HNNXBMFYSA-N 358.869 3.784 0 40 FHAB Cc1cc(N)c(N2CCOCC2)cc1NC(=O)c1ccc(C(C)(C)C)cc1 226264144 ASVVWIGPVUDNJT-UHFFFAOYSA-N 367.493 3.964 0 40 FHAB COc1ccc([C@@H](C)NC(=O)CCc2nc(-c3cccs3)no2)cc1 225841883 RHBKEQXOEKLOBZ-GFCCVEGCSA-N 357.435 3.617 0 40 FHAB Cc1ccc(NC(=O)c2cc(F)cc3nn[nH]c23)cc1C(=O)c1ccccc1 1587756714 UFHXZRPTJYVEPR-UHFFFAOYSA-N 374.375 3.889 0 40 FHAB COc1cccc(-c2ccc3c([C@H]4CCCN4c4ncccn4)nnn3c2)c1 96267921 IISVCPAJMLBDRM-GOSISDBHSA-N 372.432 3.536 0 40 FHAB COc1ccc2nc(C(F)(F)F)nc(N(C[C@H]3CCOC3)C3CC3)c2c1 585083312 QFWYFPYPSYXFCI-LLVKDONJSA-N 367.371 3.663 0 40 FHAB COCC[C@H]1CCOC12CCN(C(=O)c1ccc3ccccc3c1)CC2 247891572 UCQOLOVAVVGUON-FQEVSTJZSA-N 353.462 3.888 0 40 FHAB O=C(O)CN(CCc1ccc(F)cc1)C1CCN(c2ccccc2F)CC1 257283670 OZHRGIDTQGLMPM-UHFFFAOYSA-N 374.431 3.563 0 40 FHAB CCN1C(=O)CC[C@@H](C(=O)NCCc2ccccc2)[C@@H]1c1ccc(C)cc1 257306713 SVMLXWWUPIWHTH-IRLDBZIGSA-N 364.489 3.654 0 40 FHAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@H](C)[C@H]3CCCOC3)c12 541874015 VAJYQPYPUNOYSR-CJNGLKHVSA-N 365.433 3.743 0 40 FHAB O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)c1nc2cnccc2s1 622566758 XFTNGEBQFBGWPZ-LBPRGKRZSA-N 355.316 3.706 0 40 FHAB COc1ccc(-c2nc(CCNC(=O)c3cc(C)cc(F)c3)co2)cc1 1142964925 GLUAHGFWSOTOGL-UHFFFAOYSA-N 354.381 3.770 0 40 FHAB C=CC(=O)Nc1ccc(C(=O)N2CCC[C@H](Cc3nc(C)cs3)C2)cc1 1178074121 HTDAOKCMPKKCPR-OAHLLOKOSA-N 369.490 3.671 0 40 FHAB COc1ccc(-c2cnc3n2CCN(C(=O)CC2CCCCC2)CC3)cc1 585111665 ZOTMLIUAQFSJLS-UHFFFAOYSA-N 367.493 3.914 0 40 FHAB O=C(NCc1cncc(-c2cccnc2)c1)c1cccc(OC(F)(F)F)c1 828172338 FVKCENMJWSNFGL-UHFFFAOYSA-N 373.334 3.972 0 40 FHAB CCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 40104780 ZMTKOTSYQPTYNC-LJQANCHMSA-N 367.449 3.858 0 40 FHAB Cc1cnc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)cn1 5637025 CFLCMDLJHQOKJI-HNNXBMFYSA-N 361.401 3.636 0 40 FHAB O=Cc1ccc(OCc2ccc(F)cc2)c(I)c1 5768537 VJASHQPJHMRFLX-UHFFFAOYSA-N 356.134 3.822 0 40 FHAB CC(C)c1ncc(CN2Cc3ccccc3OC3(CCOCC3)C2)cn1 12220551 DCQJCOHGEWBETP-UHFFFAOYSA-N 353.466 3.544 0 40 FHAB Cc1nn(CCC(=O)N2CCc3c([nH]c4ccc(Cl)cc34)C2)c(C)c1C 12290120 VLPPSCVASKBJCP-UHFFFAOYSA-N 370.884 3.918 0 40 FHAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2cnn(-c3ccc(F)cc3)c2)on1 12366541 TTZUNUJQPINUCB-OXJNMPFZSA-N 354.429 3.809 0 40 FHAB COc1cccc(C2=NN(C(=O)C(C)C)[C@H](c3ccc4nccnc4c3)C2)c1 12420772 YTZHWPPTWQLQGI-NRFANRHFSA-N 374.444 3.972 0 40 FHAB C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccc2c(c1)OCO2 14483747 KEASMKUPWHNVNQ-LLVKDONJSA-N 362.223 3.598 0 40 FHAB CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2C)cc1OCC 15922646 ZIAOVWMZPYAKOK-UHFFFAOYSA-N 357.406 3.831 0 40 FHAB O=C(O)c1ccc(/C=C2\CCn3c2nc2ccc(Cl)cc2c3=O)cc1 16386442 LSICDYYCQHVRDU-UKTHLTGXSA-N 352.777 3.692 0 40 FHAB O=c1cc([C@@H]2CCCCN2Cc2ccc(F)cc2)nc(-c2ccccn2)[nH]1 19402747 JIVTXHYSWQABRC-IBGZPJMESA-N 364.424 3.698 0 40 FHAB CCN1CCC[C@@H]1CN(Cc1cnc(SC)nc1)Cc1cccs1 19527207 MGPSTFITFIPPPK-MRXNPFEDSA-N 362.568 3.747 0 40 FHAB C[C@H](N[C@@H]1CCN(c2ncccc2Cl)C1)c1ccc(C(F)F)nc1 657904729 MINOIEJGRAILBW-WCQYABFASA-N 352.816 3.997 0 40 FHAB COC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CCCCC1 1003614 CCBQHMKWDFLCQY-UHFFFAOYSA-N 358.463 3.626 0 40 FHAB CCN(CC)c1ccc(C(=O)OCC(=O)Nc2cc(C)cc(C)c2)cc1 3238989 RCZMTHDZWADYAA-UHFFFAOYSA-N 354.450 3.945 0 40 FHAB O=C(OCC(=O)N1CCCCC1)/C(=C/c1cccs1)c1cccs1 3245735 KSYSLSIMNDLMBG-NTCAYCPXSA-N 361.488 3.906 0 40 FHAB O=C(COc1ccccc1-c1nc2ccccc2s1)NC[C@@H]1CCCO1 3440999 UCTOKOSRMBIBJX-AWEZNQCLSA-N 368.458 3.637 0 40 FHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc2c(Cl)cc(Cl)cn12 6099647 SJVXLELOPUESBD-NXEZZACHSA-N 373.309 3.918 0 40 FHAB O=C1COC2(CCN(Cc3ccccc3Cl)CC2)CN1c1ccccc1 1203379296 PWSZVUYKZGOHTC-UHFFFAOYSA-N 370.880 3.738 0 40 FHAB COc1ccc(C(C)=O)cc1CC(=O)Nc1nc(-c2ccccn2)cs1 6822562 PBNUNZXPTPQDRA-UHFFFAOYSA-N 367.430 3.598 0 40 FHAB Cn1cc(C(F)(F)F)nc1-c1cc(C(=O)NC2CC2)c(Cl)cc1F 1888875991 AWMAPWKDDJHJHH-UHFFFAOYSA-N 361.726 3.791 0 40 FHAB Cc1ccccc1C(=O)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037912011 BLMITILKFXETNH-NRFANRHFSA-N 357.425 3.570 0 40 FHAB COC(=O)c1sc2ccccc2c1NC(=O)c1cc(OC)cc(OC)c1 4176809 YCMSSXFOCXJFLT-UHFFFAOYSA-N 371.414 3.957 0 40 FHAB Cc1cccc(OCC(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c1 9137784 ABUYIDXWEDBBPT-UHFFFAOYSA-N 366.461 3.948 0 40 FHAB COc1cc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)nc(C)n1 12225234 NFJTXJDQBYFVET-UHFFFAOYSA-N 352.369 3.929 0 40 FHAB COc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1ccccc1Cl 12444009 ISRJKVIQIFUNCZ-UHFFFAOYSA-N 359.788 3.603 0 40 FHAB O=C(C1c2ccccc2Oc2ccccc21)N1CC(COc2cccnc2)C1 1775968761 UWDAODGWUYWGHN-UHFFFAOYSA-N 372.424 3.857 0 40 FHAB Cc1ccc(-c2ccc3nn(Cc4cccc(Cl)c4)c(=O)n3n2)cc1C 49399427 SXUWNCIHYFTDQT-UHFFFAOYSA-N 364.836 3.877 0 40 FHAB Cc1nc2cc(Nc3ncnc4c3ncn4C[C@@H]3CCCO3)ccc2s1 2298117640 FHWDYTGDAQZOGX-ZDUSSCGKSA-N 366.450 3.667 0 40 FHAB O=C([C@@H]1CCCN(Cc2ccccc2Cl)C1)N1CCC(F)(F)CC1 2298212737 UXDIQJDZELUPGN-OAHLLOKOSA-N 356.844 3.810 0 40 FHAB Cc1oc(-c2ccccc2)nc1C(=O)NCc1cnn(-c2ccccc2)c1 10498604 AQQXKUIEEBISPE-UHFFFAOYSA-N 358.401 3.766 0 40 FHAB CS(=O)(=O)c1ccc(F)c(NC(=O)C2(c3cccc(Cl)c3)CC2)c1 40059845 GKVZSRPVEUIWQM-UHFFFAOYSA-N 367.829 3.553 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)CN(Cc1cccs1)C1CC1 40063286 XIMCTIXPQRCKHC-UHFFFAOYSA-N 358.463 3.528 0 40 FHAB Cc1nc2cc(F)cc(C(=O)NC[C@@H](C)N(C)c3ccccc3)c2nc1C 40154635 PHNNROUIWGXCED-CYBMUJFWSA-N 366.440 3.640 0 40 FHAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccccc2COc2ccccc2)C1 40160577 UVDVBYSXEVXXBC-KRWDZBQOSA-N 367.445 3.681 0 40 FHAB Cc1cc(O[C@H](C)C(=O)c2ccc(Cl)cc2)ccc1N1C(=O)CCC1=O 20352499 DNGCQTZLMZZIMI-CYBMUJFWSA-N 371.820 3.952 0 40 FHAB CC(C)c1ccc(NC(=S)N2CCN(Cc3cccnc3)CC2)cc1 20664472 ZOWULJYNVRBENH-UHFFFAOYSA-N 354.523 3.720 0 40 FHAB COc1ccccc1CN1COc2ccc3c4c(c(=O)oc3c2C1)CCC4 20610370 PLYKMMMTQBOTKM-UHFFFAOYSA-N 363.413 3.642 0 40 FHAB biogenic COc1ccc([C@H](C)NC[C@@H](O)CO[C@@H]2CCCc3ccccc32)cc1F 32751156 KPCJFBUWSHCIGF-RRMPHLOHSA-N 373.468 3.940 0 40 FHAB COCc1cccc(C(=O)NCc2cccc(OCC(F)(F)F)c2)c1 32930621 IIFHYEQMLMPQJO-UHFFFAOYSA-N 353.340 3.704 0 40 FHAB CCCc1nn(C)c(-c2nn3c(-c4ccccc4)nnc3s2)c1Cl 633079 YILXILZFOHCWJD-UHFFFAOYSA-N 358.858 3.859 0 40 FHAB CC(C)NC(=O)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1 703744 RWTQYGUCVRJWLC-UHFFFAOYSA-N 351.372 3.908 0 40 FHAB CNC(=S)N(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C1CCCCC1 878484 GZEGMFSVRBJRNZ-UHFFFAOYSA-N 357.523 3.784 0 40 FHAB CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccc(O)cc1 886679 DOIBVXGRDDRTJH-UHFFFAOYSA-N 368.462 3.710 0 40 FHAB O=C(Nc1cccn(Cc2ccccc2)c1=O)N1CCc2sccc2C1 79072469 VEJWSBXVNQGMIG-UHFFFAOYSA-N 365.458 3.548 0 40 FHAB O=C(Nc1ccc(-n2cncn2)cc1)c1occc1COc1ccccc1 23056389 RBUUICUMHSZWQR-UHFFFAOYSA-N 360.373 3.692 0 40 FHAB CCOc1ccc(-c2nc(NC(=O)CCCn3cncn3)sc2C)cc1 54149251 AUQSYJSGSGYPIG-UHFFFAOYSA-N 371.466 3.528 0 40 FHAB CCOc1cc(C=O)ccc1OCC(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 3249577 VMBCQDUHSOHVOB-KKSFZXQISA-N 359.466 3.704 0 40 FHAB CC(=O)c1cccc(OCC(=O)Nc2ccc(Br)c(C)c2)c1 3499985 BXVKPGJKRURJLH-UHFFFAOYSA-N 362.223 3.978 0 40 FHAB C[C@@H]1C[C@H](OC[C@@H](O)CN2C(C)(C)CC(O)CC2(C)C)CC(C)(C)C1 6007714 DBIRBMRBTJPLEL-NJAFHUGGSA-N 355.563 3.593 0 40 FHAB COc1cccc(NC(=O)[C@H](Sc2ncccn2)c2ccccc2)c1 6910847 RQWPRRBHBJBZRG-QGZVFWFLSA-N 351.431 3.957 0 40 FHAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 7495495 IDTRBWDRWCGQFY-QGZVFWFLSA-N 356.441 3.559 0 40 FHAB Cc1ccc(OCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1C 7504987 ALUZSFQJZVUHQB-UHFFFAOYSA-N 372.896 3.993 0 40 FHAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cccc(C(=O)OC)c1C 8041702 VDHTZNVDAQYLNQ-MRXNPFEDSA-N 357.406 3.586 0 40 FHAB Cc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)NC(C)(C)C)cc1 8571310 XRSSQWMNIVNQGZ-UHFFFAOYSA-N 374.506 3.643 0 40 FHAB Cc1ccc(N2C(=O)N(CCOc3ccccc3Cl)C(=O)[C@H]2C)cc1 8637913 FPOGKLBUILEMCM-CQSZACIVSA-N 358.825 3.885 0 40 FHAB COc1ccc(OC)c2c1CN(C(=O)Nc1ccccc1C(C)C)C[C@H]2O 43230326 YUHRQVNZTFFTGL-QGZVFWFLSA-N 370.449 3.908 0 40 FHAB COc1ccc(CCNC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1OC 26519341 XCFBOBGJPSZKCH-LBPRGKRZSA-N 364.392 3.585 0 40 FHAB O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)NC1CCCC1 57486752 SBNAEMSWLCTERL-UHFFFAOYSA-N 370.840 3.917 0 40 FHAB CN(C)c1cc(C(=O)O[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c2ccccc2n1 108396601 BRCKMYMYBDZUDL-ZOCIIQOWSA-N 354.450 3.661 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CC=C(c3ccccc3)CC2)c1C 57672120 ZBXJTLDPUYVWKN-INIZCTEOSA-N 366.461 3.779 0 40 FHAB CCC(CC)NC(=O)CSc1nnc(Nc2ccc(OC)cc2)s1 3290948 FGFHMARNWLULPY-UHFFFAOYSA-N 366.512 3.687 0 40 FHAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2oc(C)nc2c1 27013043 BEBLXDHYWZDUOH-DJJJIMSYSA-N 365.433 3.919 0 40 FHAB O=C(COC(=O)CCc1ccccc1)Nc1cccc(C(F)(F)F)c1 1934565 ZBLQXQZYTSQWGE-UHFFFAOYSA-N 351.324 3.820 0 40 FHAB CC(=O)N[C@H](CC(=O)N[C@@H](C)c1ccccc1Cl)c1cccs1 10081288 UTAKKQFFHIQUNH-XHDPSFHLSA-N 350.871 3.846 0 40 FHAB Cc1cccnc1NC(=O)[C@@H]1CCCN(c2cccc(C(F)(F)F)n2)C1 58184552 VFWNSBIERJVQPM-CYBMUJFWSA-N 364.371 3.659 0 40 FHAB c1cncc(-c2nnc3n2C[C@H](CSc2nc4ccccc4o2)S3)c1 95465674 CBPSGOYFTFYPNJ-GFCCVEGCSA-N 367.459 3.748 0 40 FHAB CC(C)c1nc(CCNC(=O)Nc2ccc3c(c2)OC(F)(F)O3)cs1 58297647 GCRZPAGIBGACJE-UHFFFAOYSA-N 369.393 3.952 0 40 FHAB CNC(=O)c1ccc(OCc2csc(COc3ccccc3)n2)cc1 58281271 PEMJTNZVFLKSIX-UHFFFAOYSA-N 354.431 3.661 0 40 FHAB CCN1CCN(C(=O)C23C[C@H]4C[C@@H](CC(Cc5ccccc5)(C4)C2)C3)CC1 101113797 WEEDVZDWNMVNFV-CQNRZJDLSA-N 366.549 3.980 0 40 FHAB O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)Nc1cn[nH]c1 58393393 NAJAVSMKHDIHJF-UHFFFAOYSA-N 360.373 3.589 0 40 FHAB CCc1ccc(O[C@@H](C)C(=O)Nc2ccnn2Cc2cccs2)cc1 28404259 KSGNKGZENJEGQD-AWEZNQCLSA-N 355.463 3.961 0 40 FHAB CCC(CC)NC(=O)COC(=O)c1cc(Br)ccc1Cl 3316590 YPHCQRSGKUXGBO-UHFFFAOYSA-N 362.651 3.564 0 40 FHAB COc1cc(C)c(NC(=O)NCCO[C@@H]2CCCC[C@H]2C)cc1OC 45974826 XXTLETFSGYKPIW-CZUORRHYSA-N 350.459 3.729 0 40 FHAB C[C@@H]1C[C@@H](C)CN(C(=O)C2=Cc3cc(Br)ccc3OC2)C1 29515933 NVBOFHBDWKZEGE-VXGBXAGGSA-N 350.256 3.729 0 40 FHAB CCN(CC)CCCNc1nc(Cl)nc(Nc2ccc(F)cc2F)n1 2534561 LGBHNOHWIUXIAG-UHFFFAOYSA-N 370.835 3.691 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)COc1cc(C)nc(C(C)C)n1 2664178 MOQOYSPDTUXZFI-UHFFFAOYSA-N 363.845 3.896 0 40 FHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(SC)cc2)cc1C 20029910 ZKESEILMRFWBNR-ZDUSSCGKSA-N 351.493 3.765 0 40 FHAB Cc1cc(OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)ccc1Cl 12882705 TYOAKNPLNZMIGG-UHFFFAOYSA-N 358.825 3.558 0 40 FHAB C[C@@H]1CCCN(C(=O)COc2ccc(NC(=O)c3cccs3)cc2)C1 2640090 HJLQXSSOLMRLJF-CQSZACIVSA-N 358.463 3.638 0 40 FHAB CCOc1ccc2c(c1)c(=O)c(C(=O)N[C@@H](C)c1ccc(F)cc1)cn2C 22606080 BHEPCPAHMQPSTI-ZDUSSCGKSA-N 368.408 3.567 0 40 FHAB Cc1ccc(-n2cc(C(=O)NCc3ccc(F)c(Cl)c3)nn2)cc1C 67261901 PSOBSXQGDBLQAQ-UHFFFAOYSA-N 358.804 3.607 0 40 FHAB COc1ccc([C@H](CNC(=O)Nc2ccccc2F)N2CCCC2)cc1 12977077 IAFXCSRSBCEUIS-IBGZPJMESA-N 357.429 3.793 0 40 FHAB CCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nc2ccccc2c1=O 12981589 LKRJYFLIOUHEHR-NSHDSACASA-N 358.467 3.950 0 40 FHAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCc2ccccc2C)cc1 12980691 NFCTXSKPBNNSSU-UHFFFAOYSA-N 366.490 3.931 0 40 FHAB CCOc1ccc(CN(C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 13038282 PRNIOXGIUOHGMF-UHFFFAOYSA-N 357.841 3.607 0 40 FHAB CCCCn1c(=S)[nH]c2cc(S(=O)(=O)N3CCCCC3)ccc21 13144465 GIHLXAVXLHASGP-UHFFFAOYSA-N 353.513 3.674 0 40 FHAB O=C(O)c1nnn(-c2cc(C(F)(F)F)ccc2Cl)c1-c1ccncc1 71327494 SUDOBBXXGMPBKF-UHFFFAOYSA-N 368.702 3.700 0 40 FHAB in-vitro Cn1c2c(sc1=O)[C@@H](c1c(F)cccc1F)CC(=O)N2c1ccccc1 49548945 SNTWKMSBLYGDGB-GFCCVEGCSA-N 372.396 3.925 0 40 FHAB CCC(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 4119614 ANQBBNFKGNJBJE-UHFFFAOYSA-N 359.417 3.919 0 40 FHAB COc1cccc(N2C(=O)S/C(=C\c3cccc4nccnc34)C2=O)c1 13690590 UKURVHNDYIFPFZ-YBEGLDIGSA-N 363.398 3.879 0 40 FHAB O=C(Nc1ccccc1)c1ccc(Cn2nnc(-c3ccc(F)cc3)n2)cc1 5036769 YYNYDVRWZVUZPD-UHFFFAOYSA-N 373.391 3.780 0 40 FHAB O=S(=O)(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cccs1 4249136 RFKNZIDFJURIKN-UHFFFAOYSA-N 361.473 3.925 0 40 FHAB Cc1ccc([C@@H](C)NC(=O)CSc2nnc(-c3cccnc3)o2)cc1C 6100079 POKBAWRIBOSIQG-CQSZACIVSA-N 368.462 3.718 0 40 FHAB O=C(CCNc1ccc(I)cc1)c1ccccc1 6269534 WZOIBYAACXODIY-UHFFFAOYSA-N 351.187 3.976 0 40 FHAB CC(C)(c1ccccc1)c1ccc(OC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 4392778 DYTUKBQWMRECDW-MRXNPFEDSA-N 372.486 3.743 0 40 FHAB COc1cccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(C)CC2)c1 5254030 SYYKMDWJAUSQSW-FQEVSTJZSA-N 363.461 3.661 0 40 FHAB CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccncc3)=NN12 5296149 QZJUSLSPHLPBGZ-HXUWFJFHSA-N 362.477 3.827 0 40 FHAB COc1cc(/C=C/C(=O)OCCCc2ccccc2)cc(OC)c1OC 14165510 UJLREXARESDLBM-VAWYXSNFSA-N 356.418 3.902 0 40 FHAB Cc1cc(NC(=O)CCCn2c(C)csc2=O)ccc1Br 14189666 LDLUPMHGURBFCX-UHFFFAOYSA-N 369.284 3.708 0 40 FHAB Cc1ccc(NC(=O)CSc2n[nH]c(COc3ccccc3F)n2)cc1 409386496 URZTUMKUEUOFSN-UHFFFAOYSA-N 372.425 3.562 0 40 FHAB CC(=O)NCc1ccc(C2=NN=C(Nc3ccc(Cl)cc3)SC2)cc1 9315506 IRKYHTYCYDPZKU-UHFFFAOYSA-N 372.881 3.895 0 40 FHAB Cc1ccc(-n2nnnc2SCC(=O)c2ccc(Cl)cc2)c(C)c1 5414997 GPJCKCLJFJFYGA-UHFFFAOYSA-N 358.854 3.908 0 40 FHAB Cc1ccc(NC(=O)Nc2cc(Cl)ccc2[C@H]2COC(=O)C2=N)cc1 4649555 UKMMDHOUQIUQKG-CQSZACIVSA-N 357.797 3.953 0 40 FHAB CS(=O)(=O)Oc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1 5527630 UGEBUFYCPMVWAQ-UHFFFAOYSA-N 365.760 3.683 0 40 FHAB COC(=O)c1ccc(OC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1 6626309 LOXYOBFKIMTCRT-UHFFFAOYSA-N 370.792 3.840 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)[C@@H]1C[C@@H]1C)c1ccccc1 6639708 MHXLGEQJEDZCLL-ZSZQSSIHSA-N 353.418 3.883 0 40 FHAB O=C(CCc1nc(-c2cccs2)no1)Nc1ccc2c(c1)OCCCO2 9448532 MMXOMKARRRLMBC-UHFFFAOYSA-N 371.418 3.531 0 40 FHAB O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCC(N2CCCCC2)CC1 6942295 XUWYIPRGAWKEBN-UHFFFAOYSA-N 372.900 3.821 0 40 FHAB CCOc1c(Cl)cc(CN[C@H](C)c2nnc3ccccn23)cc1OC 15594210 HCXRPSDMBIWQNV-GFCCVEGCSA-N 360.845 3.641 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC(=O)Nc2ccccc21 15683045 AANSZVZIUDRKQJ-SNVBAGLBSA-N 365.216 3.746 0 40 FHAB Cc1cc(S(=O)(=O)N(C2CCCC2)C2CC2)ccc1Br 24687088 CSWSPTSJBKQIDP-UHFFFAOYSA-N 358.301 3.853 0 40 FHAB Brc1cncc(-c2nn3c(Cc4ccccc4)nnc3s2)c1 9547038 SZVYIEUVRLKEAO-UHFFFAOYSA-N 372.251 3.601 0 40 FHAB COC(=O)c1sc2[nH]c(/C(Cl)=C/c3cccs3)nc(=O)c2c1C 7488911 ZHTRUYOIZVQHEL-TWGQIWQCSA-N 366.851 3.878 0 40 FHAB Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N(C)C)o1 15860397 UJHSPDSZWVUYOP-INIZCTEOSA-N 373.840 3.929 0 40 FHAB Cc1ccc2oc(C(=O)Nc3cc4c(cc3Cl)OCO4)cc(=O)c2c1 9530913 PGFBLCDQWUWFMN-UHFFFAOYSA-N 357.749 3.736 0 40 FHAB CCOC(=O)Cn1nc(-c2ccc(OC)cc2)cc1-c1ccc(OC)cc1 17075222 NPZDEOKJPLJUBH-UHFFFAOYSA-N 366.417 3.797 0 40 FHAB COc1ccc(OC)c(NC(=O)[C@H](C)Sc2ncccc2Cl)c1 8726499 NGFWVYAIYFMNGE-JTQLQIEISA-N 352.843 3.872 0 40 FHAB Cc1ncc(S(=O)(=O)N2CCC(Cc3ccc(Cl)cc3)CC2)s1 1561842958 HTSOLXHDDPUKBM-UHFFFAOYSA-N 370.927 3.748 0 40 FHAB CCOc1cc(/C=C(/C)[N+](=O)[O-])ccc1OC(=O)c1ccc2c(c1)OCO2 408536883 SZEDWTSAZBFGEU-WQLSENKSSA-N 371.345 3.671 0 40 FHAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccc(Br)cc1F 408707888 SHAJEFIDTZFKPJ-NSHDSACASA-N 373.266 3.859 0 40 FHAB CC(C)CC(=O)NC(=S)Nc1ccc(NC(=O)Cc2ccccc2)cc1 408626973 JTOKMHWFMGZNQI-UHFFFAOYSA-N 369.490 3.727 0 40 FHAB CCc1sc(C(=O)NCCCN2CCN(c3ccccc3)CC2)cc1C 32831044 DSELNEOVLSWNPD-UHFFFAOYSA-N 371.550 3.561 0 40 FHAB CCN(Cc1ccccc1)C(=O)CN1CC=C(c2c[nH]c3ncccc23)CC1 533344219 UREUSNGWWHAHAR-UHFFFAOYSA-N 374.488 3.701 0 40 FHAB Cc1ccc(C(=O)Nn2c(CCC(=O)O)ccc2-c2ccc(F)cc2)o1 408559616 ACKHUKCXCUJSTB-UHFFFAOYSA-N 356.353 3.597 0 40 FHAB COc1cccc(C(=O)NCCc2c(C)[nH]c3c(F)cccc23)c1OC 32611090 XDGVWFZTGQYLRO-UHFFFAOYSA-N 356.397 3.605 0 40 FHAB CC(=O)Nc1ccc(NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1 39761625 UKDNOCXPEVUKGQ-UHFFFAOYSA-N 365.477 3.804 0 40 FHAB O=C(CCSc1ncnc2sc3c(c12)CCC3)Nc1nccs1 40284384 HXUQJJYGCNPLOG-UHFFFAOYSA-N 362.505 3.757 0 40 FHAB CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)C(C)(C)C 223642450 JGKIKKJELUFQON-UHFFFAOYSA-N 352.232 3.504 0 40 FHAB COCc1ccc(CNC(=O)c2cc(Br)ccc2F)cc1 40074597 ZKBLXHDVTRFHHF-UHFFFAOYSA-N 352.203 3.665 0 40 FHAB Cn1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 224415647 PBVVOONYCOENJN-ROUUACIJSA-N 352.438 3.736 0 40 FHAB CN(C)c1nc(Cl)c(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)s1 48366776 IMIMDQISNQRCQC-YFHOEESVSA-N 368.245 3.860 0 40 FHAB COc1ccc(CNC(=O)C2(c3ccccc3)CCCC2)c(OC)c1OC 193237628 FONPCYRGUFFFAI-UHFFFAOYSA-N 369.461 3.841 0 40 FHAB CC[C@H](NC(=O)N1Cc2cnn(-c3ccccc3)c2C1)c1c(C)noc1C 571635303 GKPYVENIIYVYCV-KRWDZBQOSA-N 365.437 3.654 0 40 FHAB C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)c1cc(Br)cs1 225600342 WIUDVIXXZSWATE-JTQLQIEISA-N 366.280 3.807 0 40 FHAB COC(=O)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]32)cc1 138933204 XYEPZFXWJXPTAL-ZQNQSHIBSA-N 373.499 3.875 0 40 FHAB Cc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225590168 FQNIUGAPRFVZDF-KRWDZBQOSA-N 370.468 3.619 0 40 FHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 223129937 PFQFZSJFAMKBOF-IBGZPJMESA-N 372.896 3.682 0 40 FHAB CC[C@H](C(=O)Nc1cccc(C)c1C)N(c1cccc(C)c1)S(C)(=O)=O 220498320 HNXVVFJZWWKSIV-LJQANCHMSA-N 374.506 3.795 0 40 FHAB Fc1ccc2c(c1)nc1n2[C@@H](CNCc2c[nH]c3ccccc23)COC1 96112725 RAEKPMCXGAVSNV-HNNXBMFYSA-N 350.397 3.518 0 40 FHAB biogenic,in-vitro COCC1=CCN(C(=O)Nc2cnc(N3CCCC[C@H]3C)c(C)c2)CC1 332553371 QSIGQXVFMFHAMA-MRXNPFEDSA-N 358.486 3.579 0 40 FHAB CC(C)(C)OC(=O)N1CCC(N)(Cc2ccc(C(F)(F)F)cc2)CC1 98213810 RQMIIWSSYIGKLM-UHFFFAOYSA-N 358.404 3.976 0 40 FHAB CCc1n[nH]c(C(=O)N2C[C@H]3[C@@H](Oc4ccccc4Cl)CC[C@H]3C2)c1C 257236743 HDOFVZBDFKOTAO-VBQJREDUSA-N 373.884 3.864 0 40 FHAB COc1ccc(Cl)cc1C(=O)NCCCN1c2ccccc2C[C@H]1C 260842600 HUMVBFWUQMAKEB-CQSZACIVSA-N 358.869 3.920 0 40 FHAB C[C@H](c1nc(Cc2ccc(F)cc2)no1)N1CCc2ccc(O)cc2CC1 1615882677 JROBDFRLVCZSHH-CQSZACIVSA-N 367.424 3.667 0 40 FHAB O=C(COc1ccc(-c2ccccc2)cc1)N1CC[C@@H](OCC2CC2)C1 390829888 HIMHQMOFRHXMBH-OAQYLSRUSA-N 351.446 3.760 0 40 FHAB CC(C)OC(=O)NC1CC2(CCN(Cc3cc(F)ccc3F)CC2)C1 585103009 KTMRCBIURVMTNG-UHFFFAOYSA-N 352.425 3.844 0 40 FHAB CCc1ccc([C@@H](CNC(=O)Nc2cccc(C(C)=O)c2)N(C)C)cc1 43239657 CAAQDTCQMDYATN-HXUWFJFHSA-N 353.466 3.876 0 40 FHAB Cc1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)ccc1Oc1cccnc1 58167314 JLKJKYKEPAKRQA-IAGOWNOFSA-N 352.390 3.788 0 40 FHAB Cc1cc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)on1 12115929 TYZUKDSNJBIYKB-CYBMUJFWSA-N 369.400 3.924 0 40 FHAB Cc1nc(C)c(C(=O)N2[C@H](COc3ccc(F)cc3)[C@H]3CC[C@@H]2C3)s1 12408079 YYWNUSJYMHKMSA-YSVLISHTSA-N 360.454 3.971 0 40 FHAB CCc1cccc(C)c1NC(=O)[C@H](CC)N(c1ccccc1)S(C)(=O)=O 13711458 TWKUCHBCKADBGV-SFHVURJKSA-N 374.506 3.741 0 40 FHAB COc1ccc(C)cc1NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 15082026 UUTBDBHNCFQPGB-UHFFFAOYSA-N 367.449 3.886 0 40 FHAB Cc1c([C@@H](C)NC(=O)c2ccc(Cl)c(N3CCCCC3)c2)cnn1C 19714946 UQDWPILIEOUCRA-CYBMUJFWSA-N 360.889 3.863 0 40 FHAB Cn1c(N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)nc2ccccc21 7343361 HZDJFRYGLPIOHI-CIAFOILYSA-N 360.373 3.978 0 40 FHAB Cc1cc(C)c(NC(=O)c2ccc(I)cc2)c(N)c1 226347043 NFLQJMQMPBAZDU-UHFFFAOYSA-N 366.202 3.743 0 40 FHAB Cc1ccc2c(c1Br)CN(C(=O)NCC[C@H]1CCCOC1)C2 528097055 JVGQXZTUWXHBLB-CYBMUJFWSA-N 367.287 3.599 0 40 FHAB CCOc1ccc(Oc2cc(CNC(=O)N3CC[C@@H]4C[C@H]4C3)ccn2)cc1 663752144 FICWSHUDSNDZRP-SJORKVTESA-N 367.449 3.824 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H](C)Sc1nc(CC2CCCC2)n[nH]1 12155641 OLNFOOPAZOIXMD-ZDUSSCGKSA-N 374.510 3.974 0 40 FHAB COc1cccc(CC(=O)N2CC(n3c(C(C)C)nc4ccccc43)C2)c1 1888951540 NUTCUEDFDMREJP-UHFFFAOYSA-N 363.461 3.794 0 40 FHAB CCOc1ccc(-c2nnc(SCC(=O)NC3CCCCC3)o2)cc1 2720334 ALVKIEYOVXSHBI-UHFFFAOYSA-N 361.467 3.676 0 40 FHAB CCc1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc(F)c2)c1 7573801 MWSAKOVTTPEXLA-UHFFFAOYSA-N 350.393 3.850 0 40 FHAB CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccccc3)ccc21 8840734 TUJZCUNGYBYBNB-UHFFFAOYSA-N 358.463 3.567 0 40 FHAB COC(=O)c1ccccc1C(=O)N1CCS[C@@H](c2ccccc2)CC1 208040338 CMHWQHBFZHTOSM-GOSISDBHSA-N 355.459 3.794 0 40 FHAB CSc1ccc(/C=C/C(=O)NC[C@@](O)(c2cccs2)C2CC2)cc1 206700571 NYCIDIDUWQKGKR-NJGYHNCTSA-N 359.516 3.897 0 40 FHAB COc1ccc(Br)cc1S(=O)(=O)Nc1cc(C)ccc1C 7052227 CYEQKWQUGBYKSA-UHFFFAOYSA-N 370.268 3.875 0 40 FHAB CCOC(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1 20358215 LMFVWWGLYZTSDJ-MRXNPFEDSA-N 357.793 3.803 0 40 FHAB CN(C)c1nc2cc(C(=O)O)sc2n1-c1ccc(Br)cc1 32627001 UMHKWEVMUSNGCY-UHFFFAOYSA-N 366.240 3.614 0 40 FHAB in-vitro Cc1ccc(C)c(NC(=O)[C@H](C)Sc2ccc3c(c2)NC(=O)CO3)c1 32899277 DGELSNPSKSPESB-ZDUSSCGKSA-N 356.447 3.754 0 40 FHAB Cc1ccc2c(c1)CCCN2CCC(=O)NCCc1c[nH]c2ccccc12 32870817 QMUFJAPGHGDFNW-UHFFFAOYSA-N 361.489 3.978 0 40 FHAB C[C@@H](NC(=O)c1cc2c(s1)CCCCCC2)c1nnc2ccccn12 32809138 NJEKZRGWUDRLCF-CYBMUJFWSA-N 354.479 3.941 0 40 FHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccccc1N1CCCCC1 32958734 HGGHSYAXSJUFCU-UHFFFAOYSA-N 372.490 3.641 0 40 FHAB Cc1cccc(CC2(Cc3cccc(C)c3)C(=O)OC(C)(C)OC2=O)c1 1085429 FKUUHMWYOYEJER-UHFFFAOYSA-N 352.430 3.911 0 40 FHAB CCc1nc(SCC(=O)Nc2ccc(N(C)C)cc2)c2ccccc2n1 1332577 OLEVNZWKVOAFRW-UHFFFAOYSA-N 366.490 3.989 0 40 FHAB O=C(c1ccccc1)N1CCO[C@@](O)(c2ccccc2)[C@@H]1c1ccccc1 1664734 AKDFQEHQNVGHEX-GMAHTHKFSA-N 359.425 3.746 0 40 FHAB CCc1cccc(CC)c1NC(=O)COC(=O)COc1ccc(C)cc1 959645 MQKZLSOYGOPZKM-UHFFFAOYSA-N 355.434 3.681 0 40 FHAB N=C1c2ccccc2CN1c1cc(C(F)(F)F)ccc1N1CCOCC1 3201915 XMJLQZOKFVYLAZ-UHFFFAOYSA-N 361.367 3.888 0 40 FHAB CCC(=O)N(Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O 4231093 GYOZYAMEOARFCQ-UHFFFAOYSA-N 364.445 3.784 0 40 FHAB CC[C@H](C)c1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1 1000120 IPCPHCYPMPRJCO-AWEZNQCLSA-N 367.478 3.907 0 40 FHAB NC(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)nc2ccccc12 4936737 KMSWDYZTQYLDLG-UHFFFAOYSA-N 353.491 3.675 0 40 FHAB CNC(=S)Nc1ccc(-c2ccc(NC(=S)NC)c(C)c2)cc1C 6275794 BWPKXJSVZJYFPA-UHFFFAOYSA-N 358.536 3.803 0 40 FHAB C[C@@H](OC(=O)C1CCC1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 6639320 QZXCIGFIBKLMMU-SECBINFHSA-N 366.389 3.759 0 40 FHAB CCN(C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)C1CCCCC1 7985509 ONBCOWOMNOERMZ-UHFFFAOYSA-N 364.795 3.702 0 40 FHAB CCOc1ccc2c(c1)O[C@](c1ccc(C)cc1)(C(F)(F)F)NC2=O 3180040 DNNOJTRLPRSEFP-QGZVFWFLSA-N 351.324 3.931 0 40 FHAB Cc1ccc(OC[C@H](O)Cn2c(-c3cscn3)nc3ccccc32)cc1 12560393 JAJNADNKNDWFKF-OAHLLOKOSA-N 365.458 3.908 0 40 FHAB O=C(Nc1nc2ccccc2s1)[C@@H]1CCCN(C(=O)c2cccs2)C1 24829518 LRGSBJJLWXBVMB-GFCCVEGCSA-N 371.487 3.849 0 40 FHAB CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1 1305291 QYCFQGUHACQZFO-SFHVURJKSA-N 367.474 3.517 0 40 FHAB Cc1ccccc1-n1nc(C)c(CN(C)C(=O)c2n[nH]c3ccccc23)c1C 55492589 AZHYIFBSENDTCO-UHFFFAOYSA-N 373.460 3.946 0 40 FHAB Cc1cc(C)nc(S[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)n1 1470175 VDNPWYKNDZPTTA-SNVBAGLBSA-N 356.706 3.654 0 40 FHAB COCCn1c([C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)nc2ccccc21 8845075 NTUUIZRIYSSCKC-QGZVFWFLSA-N 363.461 3.820 0 40 FHAB CNC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(SC)cc1 1431406 RDSAPQLJGCNFQL-SFHVURJKSA-N 364.474 3.793 0 40 FHAB CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)o2)c1 9062105 LIFYDJNDVOOAPN-UHFFFAOYSA-N 364.405 3.974 0 40 FHAB NC(=O)Nc1ccc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)cc1 56343404 UKSYJTZEAGXOPX-IBGZPJMESA-N 361.401 3.936 0 40 FHAB Cc1nn(C)c(Cl)c1C(=O)OCC(=O)c1sc2ccccc2c1C 43894556 JCSAJMXYGLBVDM-UHFFFAOYSA-N 362.838 3.945 0 40 FHAB CC[C@](C)(NC(=O)Nc1cnn(Cc2cccnc2)c1)c1nc(C)cs1 72309677 PJERVSLFFSHABI-SFHVURJKSA-N 370.482 3.538 0 40 FHAB CC(C)CC[C@](C)(O)CNC(=O)CCCc1ncc(-c2ccccc2)o1 72304309 VNEZXZFJUKHGHM-NRFANRHFSA-N 358.482 3.968 0 40 FHAB Cc1cccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)c1O 72313309 ABOUWRHAVZBVNP-UHFFFAOYSA-N 372.222 3.901 0 40 FHAB CC(C)Oc1ccc(-c2nc(C(=O)OCCc3cnn(C)c3)cs2)cc1 95397433 NJUWQLHXKMAWTC-UHFFFAOYSA-N 371.462 3.730 0 40 FHAB CC(C)Oc1ccc(CNS(=O)(=O)Cc2c(F)cccc2Cl)cc1 20047560 FXKOCKXWWZPNNH-UHFFFAOYSA-N 371.861 3.886 0 40 FHAB CCCN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 58157195 PNHXEQNWUYLJTP-UHFFFAOYSA-N 374.488 3.707 0 40 FHAB COc1ccc2cc(C(=O)Nc3nnc(C(F)F)s3)c(C)nc2c1 58159997 UMRJZBBWRGBIKY-UHFFFAOYSA-N 350.350 3.593 0 40 FHAB Cc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc2nsnc2c1 21596117 SSTKICZNYSPHDG-UHFFFAOYSA-N 362.867 3.780 0 40 FHAB COc1cccc(CN(C)C(=O)c2oc3ccccc3c2C[S@](C)=O)c1 72295248 WVEMJSVERMBQJE-AREMUKBSSA-N 371.458 3.592 0 40 FHAB O=C(Nc1cc(F)c(F)c(F)c1)[C@@H]1CC(O)=Nc2nc3ccccc3n21 44893204 WXFJKKGQUYLPAR-ZDUSSCGKSA-N 360.295 3.625 0 40 FHAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NCC1(c2ccccc2)CCC1 10221382 FZCAZDYLROLSRE-FQEVSTJZSA-N 364.489 3.679 0 40 FHAB Cc1ccc2nc(NC(=O)[C@@H](C)n3cc(Br)cn3)sc2c1 28224512 WSVMNOWKPWMPBS-SECBINFHSA-N 365.256 3.763 0 40 FHAB CCOc1cc(/C=C/C(=O)Nc2nnc(CC)s2)cc(Cl)c1OC 12780039 QENUDPUPXJWYIW-VOTSOKGWSA-N 367.858 3.813 0 40 FHAB O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 12738083 RSDPVABWLSDHTR-OXQOHEQNSA-N 372.484 3.859 0 40 FHAB CC[C@H](CO)Nc1nc(CN2CCC(C)CC2)nc2sc3c(c12)CCC3 12755148 GDQZLFKICKYXSV-CQSZACIVSA-N 374.554 3.595 0 40 FHAB C[C@@H]1CC(=O)c2c(OCC(=O)NCc3ccc(Cl)cc3)ccc(F)c21 12748067 NPNHVQHYKFUADK-LLVKDONJSA-N 361.800 3.864 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cc(C(C)C)nc3onc(C)c23)c1 36358387 KLWWEWBNPFAJHN-UHFFFAOYSA-N 355.394 3.924 0 40 FHAB CC(=O)CCc1ccc(OC[C@H](O)CN2CCC[C@@H]3CCCC[C@H]32)cc1 36392129 QEPLIBYYEBCJRH-TUNNFDKTSA-N 359.510 3.603 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H](C)Nc1ccc(NC(=O)C2CC2)cc1 10842164 DFALPEIVKITEFX-AWEZNQCLSA-N 367.449 3.791 0 40 FHAB CCOc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCOCC2)cc1 57179512 YGKLEWDPHJHHLA-UHFFFAOYSA-N 369.417 3.501 0 40 FHAB CCOc1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1 11916829 UIBUEQYZLCSPLZ-UHFFFAOYSA-N 366.373 3.764 0 40 FHAB C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2cccc3cccnc23)CC1=O 12851947 WLYRCZWCRAVHCQ-CRAIPNDOSA-N 359.429 3.783 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2ccnn2Cc2ccccc2Cl)c1 12805561 HWHMOHQPTGHMDD-UHFFFAOYSA-N 371.824 3.854 0 40 FHAB CC[C@@H](C(=O)Nc1nc2ccccc2s1)n1cnc2ccccc2c1=O 8997055 XDQXKLODAGMXJW-HNNXBMFYSA-N 364.430 3.596 0 40 FHAB CCc1cccc(NC(=O)COC(=O)c2ccccc2Br)c1 3506761 NVELZYWBGACEFM-UHFFFAOYSA-N 362.223 3.807 0 40 FHAB Cc1cc(NC(=O)CN(C)Cc2cccc(F)c2)n(-c2ccc(F)cc2)n1 12918101 RNXVTSSBTJSYOS-UHFFFAOYSA-N 370.403 3.529 0 40 FHAB COCc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1 9690720 QWTKBLRJCUMKFD-UHFFFAOYSA-N 368.414 3.938 0 40 FHAB Cc1cc2oc(=O)cc(CN3C(=O)NC4(CCCCCC4)C3=O)c2cc1C 4287911 SGKSBCVFKHLTPW-UHFFFAOYSA-N 368.433 3.555 0 40 FHAB CCn1c(SCC(=O)N2CCc3ccccc3C2)nc2ccccc21 4484564 XCMPVSPUXHBISQ-UHFFFAOYSA-N 351.475 3.733 0 40 FHAB CC(C)n1ncc2cc(C(=O)Nc3ccc(N4CCCCC4)nc3)cnc21 25000435 JPQPZTKHRZPKTL-UHFFFAOYSA-N 364.453 3.650 0 40 FHAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1(C)C 14188322 KPTNPZSDRGMSIP-VQIMIIECSA-N 367.493 3.732 0 40 FHAB NC(=O)COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 14180665 XREKKZJXARIWJX-UHFFFAOYSA-N 362.385 3.595 0 40 FHAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN1CCC[C@@H]1c1ccccc1)C2=O 14183929 ZIQCQDRUJIAQQJ-RADWXHQJSA-N 369.509 3.918 0 40 FHAB CCc1ccc(Cl)c(CC)c1NC(=O)c1n[nH]c(=O)c2ccccc12 6587248 OKDYFHQKTPQJEJ-UHFFFAOYSA-N 355.825 3.954 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)c1cc(C)nc3ccccc13)CC2 14790251 HQUXJQOZHVZSOR-UHFFFAOYSA-N 362.429 3.759 0 40 FHAB CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 9897151 ZVQAEMLHNBLJDV-AWEZNQCLSA-N 366.417 3.644 0 40 FHAB COc1ccc(OCCCC(=O)NCCCc2cccc(OC)c2)cc1 66436412 YRSXZJRPSVOXNO-UHFFFAOYSA-N 357.450 3.612 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)N1CCN(c2ccccc2F)CC1 6923468 CYFZBJQGBILXRX-UHFFFAOYSA-N 351.425 3.588 0 40 FHAB Cc1ccc(C(=O)O[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)c1 7548711 FYYGRBALVLBADY-BZSISCHUSA-N 355.478 3.934 0 40 FHAB CC[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cccnc2)n1C1CC1 7797862 INLRPEHNLUYUML-OAHLLOKOSA-N 371.510 3.558 0 40 FHAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCCCCC2)cc1 8181494 ZMAYLROMSLVGBY-UHFFFAOYSA-N 372.490 3.812 0 40 FHAB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)Nc1ccc2c(c1)OCCO2 95373558 JRIUCNIGJBMXIA-HNNXBMFYSA-N 370.453 3.608 0 40 FHAB O=C(NCc1cc2ccccc2[nH]1)[C@@H]1CC(c2ccc(Cl)s2)=NO1 84594669 XOWXTEBDQWTAAM-AWEZNQCLSA-N 359.838 3.692 0 40 FHAB Cc1nc2cc(C(=O)N3CCc4cc(Br)ccc43)ccc2n1C 60298691 KWGRGEWQWTWASI-UHFFFAOYSA-N 370.250 3.847 0 40 FHAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(Cl)cc1F 9959055 KSKVVIRHEZYXTC-UHFFFAOYSA-N 357.776 3.720 0 40 FHAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1 22513032 DIBFEYJBEAVFAJ-QKLQHJQFSA-N 360.542 3.945 0 40 FHAB COc1ccc(S[C@@H](C)C(=O)NCCSC(C)(C)C)cc1OC 20040496 LLTQGZRIUOMFOL-LBPRGKRZSA-N 357.541 3.832 0 40 FHAB O=C(O)c1ccccc1Cc1nc2c(-c3ccccc3)csc2c(=O)[nH]1 26572051 BRCNNUUSEOPBNG-UHFFFAOYSA-N 362.410 3.941 0 40 FHAB O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)NCCc1ccccn1 524734482 JRZHUGGHCAHTBD-IBGZPJMESA-N 353.853 3.875 0 40 FHAB CN(C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)[C@@H]1CCCc2ccccc21 32481270 GGDZANSSBCBUQD-VQIMIIECSA-N 366.436 3.715 0 40 FHAB CCOc1ccccc1NC(=O)COc1nc(CC)nc2ccccc12 33141696 MWLYZFBCZAEDIV-UHFFFAOYSA-N 351.406 3.608 0 40 FHAB CCOCCCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38856812 SUGBLSRWIZDNKE-OAHLLOKOSA-N 373.324 3.748 0 40 FHAB CC(C)(C)OC(=O)NCCCCC(=O)c1cccnc1N1CCCCC1 72216142 DMHCJMTUZARKQL-UHFFFAOYSA-N 361.486 3.950 0 40 FHAB COc1ccc(CN(C)C(=O)[C@@H](C)Oc2cccc(C)c2C)cc1OC 32478831 HMENSCGDDHDYIA-MRXNPFEDSA-N 357.450 3.747 0 40 FHAB Cc1nc(C(=O)N2CCS/C2=C/c2csc(-c3cccnc3)n2)co1 225262305 KPWZCNPUKKKQDS-VIZOYTHASA-N 370.459 3.689 0 40 FHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCN(c2ccccc2)CC1 48261276 CWCFAXAWBDHHTJ-HLAWJBBLSA-N 358.526 3.813 0 40 FHAB CCCOC1(C(=O)Nc2ccc(OCCOC)nc2C)CCCCCC1 225910201 XPTSBCZFMBIQKC-UHFFFAOYSA-N 364.486 3.873 0 40 FHAB COc1cccc(O[C@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)c1 223713256 OLABZHXXVAOJPE-MRXNPFEDSA-N 371.477 3.955 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCOc1cc(C)cc(C)c1 224092358 CQZLUQXBRUVUGE-FQEVSTJZSA-N 357.450 3.665 0 40 FHAB COCc1nc(CNC(=O)N2CC3(CCCCC3)[C@H]2C(C)C)cs1 580699171 IEYSMLZXJRCMAW-MRXNPFEDSA-N 351.516 3.790 0 40 FHAB Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C[C@H](C)NC(=O)C2CCCC2)o1 246769369 GBNGKCPHADYFIR-MPGHIAIKSA-N 360.498 3.973 0 40 FHAB Cc1cccc2c1CCCN2C(=O)Cc1csc(NC(=O)C(C)(C)C)n1 608135895 QTZZUOKIWARQDT-UHFFFAOYSA-N 371.506 3.958 0 40 FHAB O=C(CCCc1nc(-c2ccco2)no1)N1CCCC[C@@H]1c1cccnc1 604405954 UUTICAJHSHGKQL-MRXNPFEDSA-N 366.421 3.801 0 40 FHAB biogenic O=C1CC[C@@H](C(=O)N2CCc3cc(C(F)(F)F)ccc3C2)n2cccc21 629027941 PCNPLWGJDQXBLP-INIZCTEOSA-N 362.351 3.609 0 40 FHAB C[C@H]1COCC[C@H]1NC(=O)N1CCC(CCc2ccc(F)cc2F)CC1 654546580 WHOMPONUSMTXEZ-IFXJQAMLSA-N 366.452 3.744 0 40 FHAB O=C(O)c1cnn(C2CCN(C(=O)c3cccc(C4CCCC4)c3)CC2)c1 659159433 OJCHLBUKGVICRJ-UHFFFAOYSA-N 367.449 3.716 0 40 FHAB Cc1c(NC(=O)NCc2c(C3CC3)cnn2C)cccc1-c1ncco1 667130754 DHJFPLUBRPGXQT-UHFFFAOYSA-N 351.410 3.583 0 40 FHAB COc1ccc(-c2n[nH]c3c2CCN(C(=O)C2CCCCC2)CC3)cc1 585110318 DZDHPRCAIMRJPB-UHFFFAOYSA-N 353.466 3.593 0 40 FHAB CCCCCn1c(O)c(C(=O)Nc2ccc(C)cn2)c(=O)c2ccccc21 5764828 JNDCMXHXYYWUNE-UHFFFAOYSA-N 365.433 3.853 0 40 FHAB Cc1c(C(=O)N[C@H](C)c2nc(-c3cccnc3)no2)oc2c(C)cccc12 12202378 WAOTTWBETVZONO-CYBMUJFWSA-N 362.389 3.986 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc2c(c1)C[C@@H](C)N2C(C)=O 12204445 SBZQTVQGEUVIPN-BFUOFWGJSA-N 370.424 3.919 0 40 FHAB O=C(c1cc(-c2cccnc2)c(N2CCOCC2)s1)N1CCCCCC1 13266277 COLZAKZEHVURBI-UHFFFAOYSA-N 371.506 3.663 0 40 FHAB Cc1c(Cl)cccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 19982613 IKBGZFWYKZFPNY-UHFFFAOYSA-N 365.216 3.666 0 40 FHAB O=C(NCC1CCN(C2CCSCC2)CC1)c1ccc(F)cc1Cl 244955861 GCPAQMSWAUANLB-UHFFFAOYSA-N 370.921 3.817 0 40 FHAB Cc1cccc(OCCSc2nnc(-c3ccc(Cl)cc3)n2N)c1 4469685 AHTIEEIVRQHYTJ-UHFFFAOYSA-N 360.870 3.792 0 40 FHAB COc1ccc2sc(NC(=O)c3cc(C(F)(F)F)nc(C)n3)nc2c1 1888898018 LIHINNCPKWBZED-UHFFFAOYSA-N 368.340 3.674 0 40 FHAB CCc1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 5196035 GXSQCWWETYQTOP-MRXNPFEDSA-N 357.841 3.829 0 40 FHAB COc1ccc(-c2nc(O)c3c(n2)Oc2ccc(C)cc2C3)cc1OC 6748473 IYCQIMVKLFECSR-UHFFFAOYSA-N 350.374 3.871 0 40 FHAB COC(=O)c1ccccc1C(=O)N1CCCC[C@@H](c2ccc(OC)cc2)C1 208003731 LPRNMZCJARRNOF-QGZVFWFLSA-N 367.445 3.892 0 40 FHAB Cc1cc(N)n(-c2ccc(C(=O)NCC(C)(C)c3ccc(F)cc3)cc2)n1 19717859 PLGCEAZVLCWHRR-UHFFFAOYSA-N 366.440 3.610 0 40 FHAB Cc1cc([C@H]2CCCN2C(=O)c2sc(-c3ccccn3)nc2C)on1 40115324 MLXDINLNWSXMQF-CQSZACIVSA-N 354.435 3.787 0 40 FHAB CSc1ccc(C(=O)COC(=O)c2coc(Br)c2)cc1 30876301 YDONEVFIZVRZSU-UHFFFAOYSA-N 355.209 3.804 0 40 FHAB OCCCc1nc2n(n1)[C@@H](c1ccccc1Cl)C=C(c1ccccc1)N2 100708134 MRDRSCFVBJHJLT-GOSISDBHSA-N 366.852 3.912 0 40 FHAB Clc1ccc(COc2cccc(CNCCCN3CCOCC3)c2)cc1 20457158 KDGXRGCEOAKDQB-UHFFFAOYSA-N 374.912 3.731 0 40 FHAB Nc1nn(C(=O)CCc2ncc(-c3ccccc3F)o2)c2ccccc12 32912318 VYUUMOWBUPYXEA-UHFFFAOYSA-N 350.353 3.686 0 40 FHAB CN(C(=O)COc1ccc(Br)cc1)[C@H]1CCc2ccccc21 32905291 JHWMAWZOBYXHCB-KRWDZBQOSA-N 360.251 3.974 0 40 FHAB CCOC(=O)[C@@H]1C(=O)C[C@](O)(c2ccc(Cl)cc2)C[C@H]1c1ccccc1 2234326 DDDMZQZGOCQJOC-CUWPLCDZSA-N 372.848 3.854 0 40 FHAB COc1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1 2623472 IDPDNPYOGOIGKD-UHFFFAOYSA-N 355.507 3.646 0 40 FHAB CCCCCOc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1 3082500 KUQAYLSYVJWZHN-UHFFFAOYSA-N 371.462 4.000 0 40 FHAB Cc1ccc(Nc2nnc(SCC(=O)NCc3ccco3)s2)cc1 3530481 JHLDEYNXSFQQBA-UHFFFAOYSA-N 360.464 3.592 0 40 FHAB COc1ccc(C(=O)N2CCN=C2SCc2cccc(F)c2)c(OC)c1 4119862 RXZSQVOETSEOEE-UHFFFAOYSA-N 374.437 3.588 0 40 FHAB CCCC[C@@H](Sc1ccc2nnc(-c3ccc(F)cc3)n2n1)C(=O)O 4164487 NGKDWZGDYCFYIW-CYBMUJFWSA-N 360.414 3.666 0 40 FHAB CCCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(OC)ccc21 4193307 WPNRSHLDAAJUAH-UHFFFAOYSA-N 371.458 3.561 0 40 FHAB CN(C)CCN(C(=O)CCc1ccccc1)c1nc2ccccc2s1 4585291 OPYFPTHCCWTMLG-UHFFFAOYSA-N 353.491 3.824 0 40 FHAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1ccc2c(c1)OCO2 4962840 JPUQYPULZQTDSH-JLJPHGGASA-N 362.422 3.576 0 40 FHAB COCCOC(=O)CSc1ncccc1-c1nc2cc(C)c(C)cc2[nH]1 5000591 VSOLQUZAOCYKSY-UHFFFAOYSA-N 371.462 3.523 0 40 FHAB Cc1ccc(-c2csc3ncn(CC(=O)NCC(C)C)c(=O)c23)cc1C 5498516 QIKAKKZYRPDOBU-UHFFFAOYSA-N 369.490 3.514 0 40 FHAB CCOC(=O)[C@H](C)Oc1ccc(Oc2coc3cc(O)ccc3c2=O)cc1 5901168 OFHJBEYLFNWJLA-LBPRGKRZSA-N 370.357 3.621 0 40 FHAB biogenic CCN(CC)CCSC(=O)[C@](O)(c1ccccc1)c1cccc(C)c1 6382335 OGOKMCAPVDEHOL-NRFANRHFSA-N 357.519 3.833 0 40 FHAB COc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 6662292 ZAIIRPMYOUJDSO-NSHDSACASA-N 373.796 3.805 0 40 FHAB C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1ccc(F)cc1F 7260081 NWXVXGINBOUTJV-QMMMGPOBSA-N 366.418 3.931 0 40 FHAB Cc1cccc(NC(=O)c2ccc(=O)n(Cc3cccc(F)c3)c2)c1C 7573840 UGTBNUKPNBFQHY-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3C(=O)NC3CC3)cc2)n1 7814893 QBDZXKQMSIAXIE-UHFFFAOYSA-N 374.444 3.634 0 40 FHAB C[C@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1cccc2ccccc12 7987993 MWCMCKRDIRKDKR-HNNXBMFYSA-N 367.470 3.875 0 40 FHAB COc1ccc(C)cc1[C@H](C)NC(=O)C[C@@H]1Sc2ccccc2NC1=O 8128827 OUKKJWWGDULRPM-UGSOOPFHSA-N 370.474 3.684 0 40 FHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2)cc1 8413953 ORYUFORPRVIWHL-UHFFFAOYSA-N 374.824 3.549 0 40 FHAB CC[C@@H]1CCCCN1CCCNC(=O)C1CCN(Cc2ccccc2)CC1 9062530 YSYQSXWEJBDDOP-JOCHJYFZSA-N 371.569 3.669 0 40 FHAB Cc1cc(C(=O)N(Cc2ccccn2)c2nc3ccccc3s2)no1 9206310 XNZMAQAYOFVXLY-UHFFFAOYSA-N 350.403 3.835 0 40 FHAB CC(=O)C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2c(C)cc(C)cc21 9319485 CPBSZIQPSHWRIG-FQEVSTJZSA-N 357.837 3.670 0 40 FHAB COc1ccc(C)cc1NCC(=O)Nc1c(C)nn(-c2ccccc2)c1C 9336743 NTGCSVXSXVFMHQ-UHFFFAOYSA-N 364.449 3.857 0 40 FHAB O=C(COc1ccc2c(c1)OC1(CCCCC1)CC2=O)Nc1ccccn1 9422166 VPXFMOJOKROYLO-UHFFFAOYSA-N 366.417 3.767 0 40 FHAB Cc1ccc(NC(=O)C2CCCC2)cc1S(=O)(=O)N1CCCCCC1 9450875 HNBJMNCYQFWJKI-UHFFFAOYSA-N 364.511 3.688 0 40 FHAB COc1ccc(-c2cc(NC(=O)c3ccc4[nH]nnc4c3)ccc2OC)cc1 12035274 MYCMNGIPFKDZBX-UHFFFAOYSA-N 374.400 3.894 0 40 FHAB CCOc1ccc(-n2nnc(C(=O)OCc3ccc(Cl)cc3)c2C)cc1 12415991 SIJYSOWXQRGOOD-UHFFFAOYSA-N 371.824 3.985 0 40 FHAB O=C1[C@@H](Cc2ccc3ccccc3c2)NC(=S)N1CCc1ccccc1 12848559 SWTLVYIYIMWFNQ-HXUWFJFHSA-N 360.482 3.710 0 40 FHAB CC[C@@H](OC(=O)/C=C/c1nc2ccccc2o1)C(=O)Nc1ccccc1 12859894 XPGULEXJBRJMMY-CJTWTEFWSA-N 350.374 3.802 0 40 FHAB CC(C)NC(=O)CN1CCC(c2nc3cc(Cl)ccc3s2)CC1 12916914 KDLQSWFMIKBPJF-UHFFFAOYSA-N 351.903 3.654 0 40 FHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1cccc(Cl)c1 12986075 WAHWMCYUIMFMTO-AWEZNQCLSA-N 371.868 3.536 0 40 FHAB COc1ccc2c(C)c(CCC(=O)Nc3cccc(C)c3)c(=O)oc2c1 12988384 XDICEGMFEWJGKL-UHFFFAOYSA-N 351.402 3.990 0 40 FHAB Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccccc2C(N)=O)c1Cl 13058177 UGFNPYHWVPKITD-UHFFFAOYSA-N 373.261 3.510 0 40 FHAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2ccc(Br)cc2)C1 13613768 FOFNIRKYJOUSMY-KBPBESRZSA-N 353.304 3.547 0 40 FHAB COc1cc(C(=O)Nc2nc(C)c(C)s2)cc(OC)c1Br 14242029 OYDXVSFSYWSODR-UHFFFAOYSA-N 371.256 3.792 0 40 FHAB O=C(NCc1cc(-c2ccc3c(c2)OCO3)on1)c1c(F)cccc1Cl 16838552 GDHVFHRYQVYCBY-UHFFFAOYSA-N 374.755 3.793 0 40 FHAB O=C1c2ccccc2C(=O)N1CN[C@@H](Cc1ccccc1)c1ccccc1 20223254 XKORRSVKSHMDSO-NRFANRHFSA-N 356.425 3.814 0 40 FHAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2C)cc1 20595036 DDJAULRYUPRTGI-INIZCTEOSA-N 366.527 3.512 0 40 FHAB O=C(Nc1cc(F)cc(F)c1)C1(S(=O)(=O)c2ccccc2)CCCC1 21487672 JRDVLBZKXLRWRK-UHFFFAOYSA-N 365.401 3.690 0 40 FHAB O=C(NCC1(c2ccccc2)CC1)c1ccc(OC[C@@H]2CCCO2)cc1 21523591 VIDCZRUODACXRK-FQEVSTJZSA-N 351.446 3.706 0 40 FHAB CCOC(=O)c1ccc(NC(=O)CNc2cccc(C(F)(F)F)c2)cc1 21885641 KXFWEIZBMTUBQA-UHFFFAOYSA-N 366.339 3.933 0 40 FHAB CCn1cc(C(=O)NC2CCCCCCC2)c(=O)c2cc(OC)ccc21 22236022 SBGCIIUUGVINRU-UHFFFAOYSA-N 356.466 3.873 0 40 FHAB O=C(N[C@H]1CCc2ccccc21)c1ccc(CSc2ncn[nH]2)cc1 22322341 KERPNOXCHQOCOJ-KRWDZBQOSA-N 350.447 3.514 0 40 FHAB CC(C)c1ccc(-c2nnn(Cc3cc(F)cc4c3OCOC4)n2)cc1 24419892 GUHMPFWJDPTDED-UHFFFAOYSA-N 354.385 3.517 0 40 FHAB Cc1nc(NC(=O)COC(=O)c2ccnc(Cl)c2)c(Cl)cc1Cl 25860091 JSDFXBNFJAWREH-UHFFFAOYSA-N 374.611 3.541 0 40 FHAB COc1ccc(-c2nonc2NC(=O)c2cc(-c3ccccc3)on2)cc1 27990947 VOOKJSISFDGEHH-UHFFFAOYSA-N 362.345 3.653 0 40 FHAB O=C(NCCc1ccccc1)c1ccc(COc2ccc3c(c2)OCO3)o1 28304359 NRGQJTGXBTYEGW-UHFFFAOYSA-N 365.385 3.560 0 40 FHAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc2c(c1)OCCO2 29081697 PSYNFTUOOWIQFF-UHFFFAOYSA-N 368.364 3.823 0 40 FHAB CN(Cc1c(F)cccc1Cl)C(=O)CCNC(=O)Nc1ccccc1 29367513 INUDVGZQOPWQJL-UHFFFAOYSA-N 363.820 3.649 0 40 FHAB O=C(CCC1CCCC1)N1CCN(C(=O)c2cc3ccccc3o2)CC1 30393709 FXAPLBVXFBAKKO-UHFFFAOYSA-N 354.450 3.688 0 40 FHAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1(c2cccc(Cl)c2)CCCC1 32050563 MIWLIAHMCXMTNB-UHFFFAOYSA-N 355.825 3.960 0 40 FHAB CC(C)CNC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1 32579061 RTRIICKDCLXLII-UHFFFAOYSA-N 351.406 3.555 0 40 FHAB O=C(COc1cccc(NC(=O)C2CC2)c1)Nc1ccc2ccccc2n1 32827283 HZGDIUURWAQWJM-UHFFFAOYSA-N 361.401 3.601 0 40 FHAB NC(=O)[C@H](OC(=O)c1ccc(C2SCCCS2)cc1)c1ccccc1 32882389 RKBNCDPPMATHCV-MRXNPFEDSA-N 373.499 3.939 0 40 FHAB O=C(O)[C@H]1CS[C@H](c2ccc(F)cc2)N1C(=O)c1ccc(Cl)cc1 35110293 WOHVAZXZWUTCHL-GDBMZVCRSA-N 365.813 3.820 0 40 FHAB O=C(c1ccc(F)cc1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)no1 35319100 MQZNEXOVIFMHOF-INIZCTEOSA-N 355.344 3.992 0 40 FHAB CCOc1ccccc1C(=O)NCN1CCC(Cc2ccccc2)CC1 36646323 ZZNLEFHWNBVEOA-UHFFFAOYSA-N 352.478 3.727 0 40 FHAB O=C(Cc1ccccc1)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 38903569 WAYWBSOOWHZGLM-UHFFFAOYSA-N 365.408 3.824 0 40 FHAB CCc1ccc(C(=O)N[C@H](C)CCN2CCN(c3ccccc3)CC2)s1 40092560 TYEYKYKKRVUUOZ-QGZVFWFLSA-N 371.550 3.641 0 40 FHAB C[C@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1cccc2ccccc12 40162025 VZVXRBJVRKUMDX-RDJZCZTQSA-N 350.462 3.808 0 40 FHAB O=C(NCCCc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 42645925 LKTHJWBZQUFHFZ-UHFFFAOYSA-N 351.233 3.681 0 40 FHAB O=C(NCc1cccc2ccccc12)NCC1CCN(c2ccccn2)CC1 43976554 ODBLSFAMALLLPJ-UHFFFAOYSA-N 374.488 3.951 0 40 FHAB CCc1ccccc1NC(=O)COc1cc(C)nc(N2CCCCCC2)n1 44170024 WTWYKVHRIHLRKK-UHFFFAOYSA-N 368.481 3.745 0 40 FHAB COc1ccc(CNC(=O)Nc2cc(OC)ccc2OC(F)F)cc1 47922491 RWZHDXPGVOGLQT-UHFFFAOYSA-N 352.337 3.627 0 40 FHAB CC[C@@H](CNC(=O)c1ccc2c(O)[nH]c(=S)nc2c1)c1ccccc1 47932558 KRLXRXDWHWLDHP-LBPRGKRZSA-N 353.447 3.922 0 40 FHAB CSc1ccc(C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)cc1 48230339 RIYZAJGBEXEODM-UHFFFAOYSA-N 355.459 3.849 0 40 FHAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCCN1C(=O)C1CC1 48367121 RLNYRNUGSFAXMF-ZDUSSCGKSA-N 360.763 3.698 0 40 FHAB Cc1nc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)nn1-c1ccc(F)cc1 58408591 NZJQRVPPEVCXFG-LBPRGKRZSA-N 356.376 3.687 0 40 FHAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1C[C@@H]1c1cccc(F)c1 67033508 ZSUMHFBTTLBLAM-RTBURBONSA-N 352.409 3.804 0 40 FHAB COc1cccc(-c2nc(C)c(C(=O)N[C@@H]3CCOC(C)(C)C3)s2)c1 71285808 MLBFUABLJWTDBB-CQSZACIVSA-N 360.479 3.815 0 40 FHAB Cc1cc(OCC(=O)Nc2cc(N3CCOC3=O)ccc2C)ccc1Cl 72304570 QEAZGWRUMHJUMZ-UHFFFAOYSA-N 374.824 3.931 0 40 FHAB Cc1nc2ccccn2c1CN1CCN(Cc2cccc(Cl)c2)CC1 75568024 ZXSBHOBKKVITFN-UHFFFAOYSA-N 354.885 3.614 0 40 FHAB CN(C(=O)CCn1c(=S)[nH]c2ccccc2c1=O)C1CCCCCC1 78276486 JSQDOAPKGVNKRB-UHFFFAOYSA-N 359.495 3.630 0 40 FHAB O=C(CCNc1ncnc2sc3c(c12)CCCC3)N1CCCCCC1 84618597 BOPWLHZHWINPGU-UHFFFAOYSA-N 358.511 3.775 0 40 FHAB COc1cccc2c1CCCCN2CC(=O)N1CCC[C@@H](C(F)(F)F)C1 89471549 XDXWAKPRPFGIEI-CQSZACIVSA-N 370.415 3.639 0 40 FHAB CC(C)N(CCc1nccs1)C(=O)CC[C@@H]1Cc2ccccc2NC1=O 89869596 AIEJLMRJEZUUBO-MRXNPFEDSA-N 371.506 3.514 0 40 FHAB C[C@H](C(=O)N(C)c1ccccc1)N1CCN(Cc2ccc(Cl)cc2)CC1 96035917 UMDNTJHRNLGTTM-QGZVFWFLSA-N 371.912 3.509 0 40 FHAB CNC(=O)C[C@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21 96053248 LYBXZCYWUJPCML-KRWDZBQOSA-N 370.518 3.785 0 40 FHAB COc1ccccc1[C@@H](CNC(=O)Cc1c(F)cccc1Cl)OC 96384797 JDOUPVAYQGXURT-QGZVFWFLSA-N 351.805 3.534 0 40 FHAB CC1(C)C[C@H]2C[C@@](C)(CN2Cc2c(O)occ(CN3CCCCC3)c2=O)C1 100797374 BGMYQYRUPAWSIA-HTAPYJJXSA-N 374.525 3.732 0 40 FHAB biogenic O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 108891567 AMDORTJEUIHAAZ-KKUMJFAQSA-N 367.415 3.575 0 40 FHAB C[C@H](CN1CCC(C(=O)N[C@H](C)CCCC(C)(C)O)CC1)c1ccccc1 199423583 MTWFMTLOARDNDQ-RTBURBONSA-N 374.569 3.948 0 40 FHAB COc1cc(C)c(S(=O)(=O)NCc2ccc3ccccc3c2)c(C)c1 222820953 PUZRWNZRDZGPAA-UHFFFAOYSA-N 355.459 3.944 0 40 FHAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 223045204 PEHJJQOQQAUEGJ-LJQANCHMSA-N 366.505 3.871 0 40 FHAB COC(=O)c1ccc(NC(=O)c2ccc(OC)c(COC(C)C)c2)cc1 224427725 KGMFPJLHOYDCST-UHFFFAOYSA-N 357.406 3.659 0 40 FHAB Cc1cccc(CS(=O)(=O)NCc2cccc(CN3CCCCC3)c2)c1 224672116 HCUGUGKIBJFZEE-UHFFFAOYSA-N 372.534 3.601 0 40 FHAB COc1ccccc1[C@@H](C)NS(=O)(=O)Cc1c(F)cccc1Cl 225137271 MKORLTSAKIYYFP-LLVKDONJSA-N 357.834 3.668 0 40 FHAB COc1ccc(NC(=O)c2snnc2-c2ccc(C)cc2)c(OC)c1 225774788 FVLHWAZRPYYESE-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](C)COc2ccccc2)c1 225783556 OODRETCECOFOJM-OAHLLOKOSA-N 372.490 3.926 0 40 FHAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1 225799572 ZFCUVLFKLCSPSN-IBGZPJMESA-N 351.443 3.794 0 40 FHAB C[C@@H](NC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccc2c(c1)CCCO2 248252260 MQRBZZIOSNFXQY-GVWLRFCXSA-N 355.478 3.520 0 40 FHAB CC(C)C(=O)N1CC[C@@H](c2ccnc3ncc(-c4ccc(F)cc4)n23)C1 257230604 GDAZDVNWRMNSEI-OAHLLOKOSA-N 352.413 3.507 0 40 FHAB COc1ccccc1CN(C)C(=O)c1ccc(-c2scnc2C)nc1 257271643 MZDZPQHKSZADGN-UHFFFAOYSA-N 353.447 3.794 0 40 FHAB O=C(O)c1ccccc1-c1ccc(CN2CCC(c3ccn[nH]3)CC2)o1 257271733 MZOTWNMJVZODSA-UHFFFAOYSA-N 351.406 3.748 0 40 FHAB Cc1cn(C)c([C@H]2CCCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C2)n1 257325021 WRCQOCFCAVFCAX-KRWDZBQOSA-N 350.466 3.846 0 40 FHAB O=C(Oc1ccccc1Cl)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408674148 YMVWPJRRFWKVSA-LLVKDONJSA-N 350.201 3.952 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 408709121 XUSXVRJFSITMIC-WWGRRREGSA-N 368.399 3.753 0 40 FHAB Cc1cc(C(=O)N2N=C3CCCC[C@H]3[C@@]2(O)C(F)(F)F)ccc1Cl 409182103 IVQNOFIOPJGOIC-IAQYHMDHSA-N 360.763 3.901 0 40 FHAB Cc1cc(NCc2ncc(CN(C)C)s2)cnc1N1CCCC[C@H]1C 508624060 COIGKRGXQYKSEN-OAHLLOKOSA-N 359.543 3.899 0 40 FHAB C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1Cc1ccc(Oc2ccccc2)o1 583615071 WPSJJOYJDQVMOP-ZJOUEHCJSA-N 357.450 3.824 0 40 FHAB CCc1n[nH]cc1C(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 624174538 WVQOSZIBSHFRED-UHFFFAOYSA-N 361.445 3.894 0 40 FHAB O=C(O)c1cccnc1CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 652432210 QCCFINBICXXROE-JTQLQIEISA-N 371.384 3.635 0 40 FHAB C[C@@H](Nc1ccc(S(=O)(=O)N(C)C)cn1)c1cccc(C(F)(F)F)c1 1319518299 LRKUABZAWFUTQP-LLVKDONJSA-N 373.400 3.524 0 40 FHAB Cc1oncc1CN1CCC[C@H](COc2ncccc2C(F)(F)F)C1 1775995829 KPWDRMYZVSPVJZ-ZDUSSCGKSA-N 355.360 3.688 0 40 FHAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(CC2CCCC2)CC1 1888856779 MDKVCVWYLGVIOU-UHFFFAOYSA-N 357.473 3.746 0 40 FHAB O=C1CC2(CCN(CCCc3ccccc3)CC2)Nc2ccccc2CN1 2037980904 MPJFKIOULUZPOD-UHFFFAOYSA-N 363.505 3.586 0 40 FHAB CCC1=NN(C(=O)c2ccc(Cl)cc2)[C@](O)(c2ccc(OC)cc2)C1 799723 DVLUHRZOFOSITG-LJQANCHMSA-N 358.825 3.806 0 40 FHAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)CCOc2ccc(C)cc2)cc1 2633737 QMJXWHKHVMMDGE-MRXNPFEDSA-N 355.434 3.897 0 40 FHAB CC(C)COC(=O)[C@H](C)n1cnc2sc(-c3ccccc3)cc2c1=O 954144 XIPNHOCQEBDDEU-ZDUSSCGKSA-N 356.447 3.885 0 40 FHAB CCOc1cc2c(cc1NS(=O)(=O)c1ccc(CC)cc1)O[C@H](C)C2 12584887 DECZHKGQLZKGFN-CYBMUJFWSA-N 361.463 3.772 0 40 FHAB Cn1c(=O)c2ccccc2n2c(CNc3cc(Cl)ccc3Cl)nnc12 12562783 WYVOCTGFFQZDDZ-UHFFFAOYSA-N 374.231 3.500 0 40 FHAB Cc1cc2oc(=O)cc(COC(=O)c3ccc(N(C)C)cc3)c2cc1C 4507099 ZBEDMUKQRJCLOX-UHFFFAOYSA-N 351.402 3.833 0 40 FHAB O=C1c2ccccc2-c2ccccc2N(C(=O)C(Cl)(Cl)Cl)[C@@H]1O 4983942 UGPVDIXBJGOXGM-CQSZACIVSA-N 370.619 3.572 0 40 FHAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1nc2ccc(F)cc2s1 4997829 YUZSYNBMJUCPKZ-OAHLLOKOSA-N 360.366 3.734 0 40 FHAB Cc1ccccc1-n1c(C)nnc1S[C@@H](C)C(=O)N1CCCCCC1 7189072 GCFARLKPAGCXKC-HNNXBMFYSA-N 358.511 3.767 0 40 FHAB CCOc1cc(C(=O)O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 7604147 DPDQUTPRRXHIPZ-UHFFFAOYSA-N 363.797 3.763 0 40 FHAB O=C(/C=C/c1ccc2c(c1)CCO2)N1CC=C(c2c[nH]c3ncccc23)CC1 25250201 CQQITHZJCCLRDH-GQCTYLIASA-N 371.440 3.827 0 40 FHAB C[C@@H]1CCCCN1C(=O)c1nnc2sc(-c3cccc(Cl)c3)nn12 57354630 LWYPOECNECYVRG-SNVBAGLBSA-N 361.858 3.521 0 40 FHAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccccc1 8277107 DIKXRZJROYZHQU-UHFFFAOYSA-N 360.413 3.878 0 40 FHAB COc1ccc(OC)c(C(=O)COC(=O)c2ccc(F)cc2Cl)c1 3228632 IMMYBIRUKKALDR-UHFFFAOYSA-N 352.745 3.536 0 40 FHAB CCOc1ccc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1 3258730 QNAZIXVBJFRFNY-UHFFFAOYSA-N 369.204 3.583 0 40 FHAB Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CC(=O)N[C@H](C)C(C)C)n1 58014631 QQTPAJCDFRHJHX-SNVBAGLBSA-N 355.269 3.721 0 40 FHAB COc1cc(C(=O)CSc2nc3ccccc3o2)cc(OC)c1OC 3248238 DQWFUVBFIVDEDI-UHFFFAOYSA-N 359.403 3.829 0 40 FHAB Clc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCSCC2)cc1 57613903 IMIWDYRMURQUCO-INIZCTEOSA-N 363.918 3.580 0 40 FHAB O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc(F)cc1F 12614994 PFOWLFCSAFAWKO-UHFFFAOYSA-N 356.328 3.740 0 40 FHAB CC(C)[C@H](CNC(=O)c1cc(-c2cccnc2)on1)Nc1ccccc1 45078274 UYRDIFRJCCEVNH-SFHVURJKSA-N 350.422 3.603 0 40 FHAB O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)N=C(O)CS2 36366269 YRNGQPRHJXLOJJ-UHFFFAOYSA-N 354.840 3.835 0 40 FHAB COc1ccc(OC)c(CC(=O)Nc2cccc(Br)c2)c1 20447813 DAMYBAVEMMOLEH-UHFFFAOYSA-N 350.212 3.648 0 40 FHAB CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C2 107325027 DCTHVLSDKDXVPO-IAISJRAMSA-N 371.449 3.628 0 40 FHAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccccc1F 12878848 LKPWYDWWRWHCAD-UHFFFAOYSA-N 358.394 3.971 0 40 FHAB O=C(NO[C@H]1CCCCO1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 60333192 GXJQFNOGFMGOAA-UXHICEINSA-N 365.433 3.568 0 40 FHAB C[C@H](NC(=O)CCC(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2)[C@@H]1C[C@@H]2CC[C@@H]1C2 101708810 BFIMPPVMZHKIOV-QOFRVKGVSA-N 360.542 3.648 0 40 FHAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1ccc(F)cc1F 3497395 RECFOACWZADYMX-UHFFFAOYSA-N 372.327 3.724 0 40 FHAB Cc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)o1 3431587 ORDJSVCMGPGSMC-BRAIEQGRSA-N 369.204 3.873 0 40 FHAB C[C@H]1CCCC[C@@H]1OCC(=O)NCc1ccnc(N2CCCCCC2)c1 112817294 YKZYQISBOVLTKO-HKUYNNGSSA-N 359.514 3.674 0 40 FHAB O=C(CCCNC(=O)c1ccsc1)Nc1ccc(Br)cc1 12997846 DXYFLRDLUOAKAS-UHFFFAOYSA-N 367.268 3.659 0 40 FHAB C[C@H](c1cccs1)N(C)C(=O)c1[nH]nc(C2CC2)c1Br 49158855 LYOSZOMBFWUYTD-MRVPVSSYSA-N 354.273 3.944 0 40 FHAB CSc1cccc(-n2nnc(C(=O)Nc3cc(Cl)ccc3C)c2N)c1 13682264 ZLZXDXZTISDMEW-UHFFFAOYSA-N 373.869 3.786 0 40 FHAB Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccccc3)[nH]c(=O)c2c1C 6083049 MSVDVSBFEXAIIA-GFCCVEGCSA-N 373.503 3.862 0 40 FHAB CCOc1ccc(OCCCC(=O)Nc2ccc3c(c2)OCCO3)cc1 6336651 GPTDBWUHFWNAJQ-UHFFFAOYSA-N 357.406 3.654 0 40 FHAB Cc1nc(-c2cccc(NC(=O)c3ccc(-c4nnn[nH]4)cc3)c2)cs1 14077393 YKPJXPZVZUNNCA-UHFFFAOYSA-N 362.418 3.551 0 40 FHAB COC(=O)C1=C(C)N(CCc2cccs2)C(=O)N[C@H]1c1ccc(F)cc1 14231901 MMIILZIZEDFCIX-KRWDZBQOSA-N 374.437 3.643 0 40 FHAB CSCc1c(C(=O)OCC(=O)NC2CCCCC2)oc2ccccc12 6509341 IKJORRKZJMYVBR-UHFFFAOYSA-N 361.463 3.902 0 40 FHAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1nccs1 5574453 ZNZNZRPIQFEFBY-INIZCTEOSA-N 351.431 3.643 0 40 FHAB CCN(CC)C(=O)c1ccccc1-c1nc(-c2ccc(OC)cc2)no1 5574108 LOPRKPINAOGRRZ-UHFFFAOYSA-N 351.406 3.894 0 40 FHAB O=C(COC(=O)c1cc(Cl)ccc1Cl)NCCc1ccccc1 6889754 JTBWTGQKBLPKNB-UHFFFAOYSA-N 352.217 3.509 0 40 FHAB O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)c2cccs2)CC1 9452383 GQNBRGIKPIWLFM-UHFFFAOYSA-N 369.273 3.653 0 40 FHAB COC(=O)c1ccccc1Nc1c(-c2ccc(O)cc2)nc2cnccn12 15414468 AFTRXPBGSABOQU-UHFFFAOYSA-N 360.373 3.632 0 40 FHAB COc1cc(C(=O)Nc2cccc3ccc(C)nc23)cc(OC)c1OC 15835226 ICAUKTQHKCKFKD-UHFFFAOYSA-N 352.390 3.821 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)NCCSCc2ccccc2F)c1 7688907 IQXGOHOCQFKFPM-UHFFFAOYSA-N 353.484 3.654 0 40 FHAB C[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 16089404 QWTHGKLASLJEMU-VIFPVBQESA-N 352.681 3.523 0 40 FHAB Cc1nn(C)c(C)c1[C@@H]1Nc2ccccc2C(=O)N1CCc1ccccc1 7884681 NTTOEONKTKLXEY-OAQYLSRUSA-N 360.461 3.846 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ncc3ccccn23)c1C 7985751 PVRDYFYGAWLOQX-CYBMUJFWSA-N 371.462 3.819 0 40 FHAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@H]1CCN(CC(F)(F)F)C1 71845413 MXUDOAKPRBFVLS-GXTWGEPZSA-N 373.419 3.537 0 40 FHAB Cn1nnnc1SCc1nc2cc(Cl)ccc2n1Cc1ccccc1 29308545 WXPVCLLPBZXZLM-UHFFFAOYSA-N 370.869 3.554 0 40 FHAB CC(=O)N1CCCCC[C@H]1C1CCN(c2ncnc3sccc23)CC1 70037020 USSOBMYURVTFBV-KRWDZBQOSA-N 358.511 3.699 0 40 FHAB CCn1c(SCC(=O)OC)nnc1[C@@H](C)Oc1cc(C)ccc1Cl 17075824 JRRRIMUUTXIJBS-LLVKDONJSA-N 369.874 3.665 0 40 FHAB CC1CCN(C(=S)SCC(=O)Nc2cccc3cccnc23)CC1 17367738 BCZQMDUYHWKONI-UHFFFAOYSA-N 359.520 3.923 0 40 FHAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1 8715811 VNMYODFQLYKUGI-UHFFFAOYSA-N 363.435 3.626 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)c2c(C)nn(C)c2C)cnc1N1CCCC[C@@H]1C 95468436 YFJRYRBXUGFIFN-GJZGRUSLSA-N 369.513 3.861 0 40 FHAB CCOC(=O)C1=C(C)N=C2SC=C(C)N2[C@H]1c1ccc(OC)cc1OC 408992599 UGMMTXNXRMOICL-KRWDZBQOSA-N 374.462 3.862 0 40 FHAB COc1ccc(C)cc1CN(C)C(=O)c1cccc(NC(=O)C2CC2)c1 24085507 NCSGUXSRKSHGIP-UHFFFAOYSA-N 352.434 3.624 0 40 FHAB COc1ccc(N[C@H](C)CCCN2C(=O)c3ccccc3C2=O)cc1F 95990595 BNFWBIBNEKGFMZ-CYBMUJFWSA-N 356.397 3.711 0 40 FHAB Cc1cc(CSc2ccccc2C(=O)NCCC2=CCN(C)CC2)on1 89608719 DMGBCAYGVIFBEM-UHFFFAOYSA-N 371.506 3.657 0 40 FHAB CSc1ccc(Cl)c(C(=O)N2CCCC[C@@H]2C(=O)NC(C)(C)C)c1 89643072 HIEQHQMZIKQHTD-OAHLLOKOSA-N 368.930 3.971 0 40 FHAB CC[C@H](NC(=O)CCc1ccc(C)o1)[C@@H](c1ccc(C)cc1)n1cncn1 89941930 YSPHSJSKBKBZQI-PZJWPPBQSA-N 366.465 3.605 0 40 FHAB CCOC(=O)c1cnc2c(-c3ccc(Cl)cc3)c(C)nn2c1COC 409136147 SUACNIPJRYHFKP-UHFFFAOYSA-N 359.813 3.681 0 40 FHAB O=C(Nc1ccc2c(c1)CCC2)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 408709013 WJOVBVGHIZXXNG-HNNXBMFYSA-N 354.837 3.820 0 40 FHAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Oc2cc(C)ccc2C)CC1=O 408660888 LWGXYZQUEPRQED-CQSZACIVSA-N 373.836 3.924 0 40 FHAB Cc1cc(C(=O)O)ccc1NC(=S)NC(=O)c1ccc(OC(C)C)cc1 20152883 USIZXUDZJXXUFX-UHFFFAOYSA-N 372.446 3.607 0 40 FHAB CCCOc1ccc(N2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C)CC2=O)cc1 408707664 LLGIJSAFRWTNEQ-MDZRGWNJSA-N 358.482 3.523 0 40 FHAB CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)N(C)C1=S 409046049 RAVQSSLPVFMTHA-UYRXBGFRSA-N 366.486 3.994 0 40 FHAB O=C(N[C@@H]1CCCc2c1[nH]c1ccccc21)c1ccccc1-n1cnnc1 524733417 PXUJQHQNSHYMPN-GOSISDBHSA-N 357.417 3.556 0 40 FHAB COc1cccc([C@@H](O)c2nc(-c3ccncc3)cc3ncccc23)c1OC 72391710 NEEMSFPPMVHYRE-OAQYLSRUSA-N 373.412 3.791 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)NCCCN1CCCc2ccccc21 219586026 QRQWCBYWCHFWMK-HXUWFJFHSA-N 370.468 3.942 0 40 FHAB COc1cccc2c1CCN(C(=O)N[C@@H]1CCCOc3cc(F)ccc31)C2 182654501 VPQKGZSVAKDRMN-GOSISDBHSA-N 370.424 3.816 0 40 FHAB O=C(c1cc2ccccc2o1)N1CCC[C@@H](c2nnc(C(F)(F)F)o2)C1 77197807 LRLHXNGYMMPRBL-LLVKDONJSA-N 365.311 3.854 0 40 FHAB C[C@H]1CC(=O)c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)c(=O)[nH]c2C1 72448384 DNNRSAIZLZXWFP-MRVPVSSYSA-N 365.216 3.699 0 40 FHAB Cc1cccc(Nc2ccc([C@H]3CCCN3Cc3cnn(C)c3C)nc2)n1 72353081 NWWJANNLCYBHJW-HXUWFJFHSA-N 362.481 3.908 0 40 FHAB CC(C)Oc1cccc(CNC(=S)Nc2ccc(C(=O)N(C)C)cc2)c1 225525015 RWHVBGRZWINASE-UHFFFAOYSA-N 371.506 3.662 0 40 FHAB COc1ccc2[nH]c(C(=O)N3CC[C@]4(CCc5ccccc5O4)C3)cc2c1 569774321 CAQKMYZLHRUVMM-JOCHJYFZSA-N 362.429 3.786 0 40 FHAB CC[C@H](C(=O)N1CC(c2nc(-c3cccs3)no2)C1)c1ccccc1 49484217 UJIFHISGFIUJJW-HNNXBMFYSA-N 353.447 3.918 0 40 FHAB O=C(NCc1ccc2c(c1)OCO2)c1snnc1-c1ccc(Cl)cc1 225771513 TUOOENWUCQULGD-UHFFFAOYSA-N 373.821 3.517 0 40 FHAB Cc1nc(C(F)(F)F)ccc1NC(=O)Nc1cnn(C2CCOCC2)c1 575442454 RTZOGXWACOZFDM-UHFFFAOYSA-N 369.347 3.601 0 40 FHAB COc1cccc(O[C@H](C)C(=O)Nc2nnc(SCC(C)C)s2)c1 223502505 MPMJSQZJCXALFF-LLVKDONJSA-N 367.496 3.701 0 40 FHAB O=C(Cc1cccs1)NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1 225757246 HHKGUYFEWQBWCH-UHFFFAOYSA-N 372.519 3.527 0 40 FHAB COc1cccc2cc(C(=O)Nc3ccc4c(c3)sc(=O)n4C)oc12 225041354 KWOVRPWCECAZKQ-UHFFFAOYSA-N 354.387 3.607 0 40 FHAB Cc1cccc(CNC(=O)[C@H](C)Oc2nn(-c3ccccc3)cc2Cl)c1 227152933 AGNTZUSVAAZMBL-HNNXBMFYSA-N 369.852 3.918 0 40 FHAB CC[C@H](NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1c(C)nn(C)c1C 81261936 PXIRMQBXCVXDTI-HNNXBMFYSA-N 357.502 3.747 0 40 FHAB CC[C@H](C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 98003441 HUUUDZSAIPGCNX-IWQAVIMZSA-N 366.870 3.539 0 40 FHAB O=C(O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242547810 KTOWDRUKIHSHEU-RBSFLKMASA-N 371.241 3.634 0 40 FHAB O=S(=O)(/C=C/c1ccccc1)N1CCN(C2CC2)C[C@H]1c1ccccc1 252518007 XCTPFXAZVAAMGN-WMJZSHNHSA-N 368.502 3.508 0 40 FHAB C[C@@H]1CN(C(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)C[C@@]1(C)CO 666773398 IDFLSRFTWDEGEC-DGFSRKRXSA-N 364.795 3.603 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(Oc2cccnn2)CC1 96102923 POJDADLUTGLBJX-UHFFFAOYSA-N 367.236 3.859 0 40 FHAB Cc1c[nH]c(-c2cc(C[C@@H]3CCN(Cc4cccc5[nH]ccc45)C3)ncn2)n1 585182522 AHDOZWVMBULGLP-INIZCTEOSA-N 372.476 3.721 0 40 FHAB CN(CCc1ccc(F)cc1)C(=O)c1cnn2c(-c3ccccc3)ccnc12 55371908 XNTFALFOIHPFHB-UHFFFAOYSA-N 374.419 3.850 0 40 FHAB CCCCC[C@](C)(O)/C=C/[C@@H]1[C](O)C[C@H](O)[C@H]1C/C=C/CCCC(=O)O 1560405351 JRGCBOGTKOYSRN-XTJGERMQSA-N 367.506 3.977 0 40 FHAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O 7078115 DNFULJBTIPKNCL-XNFYSYIQSA-N 353.827 3.718 0 40 FHAB Cc1sc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)nc1-c1ccc(F)cc1 5792494 ALWYQLPHYBYLCO-OSRDXIQISA-N 372.421 3.719 0 40 FHAB O=C(CS[C@@H]1N=C2C=CC=C[C@@H]2O1)c1ccc(Br)cc1 5944630 LBPHRMZUQIYBNE-LSDHHAIUSA-N 350.237 3.614 0 40 FHAB CN(Cc1ccccc1OCc1ccccn1)Cc1n[nH]c2c1CCCC2 12116814 HTMFEORTXXMZQG-UHFFFAOYSA-N 362.477 3.895 0 40 FHAB Cc1sc2nc(C)n(C3CCN(Cc4ccncc4)CC3)c(=O)c2c1C 12145413 YAOLMJKZPYQCNU-UHFFFAOYSA-N 368.506 3.615 0 40 FHAB COc1ccc(CNC(=O)COc2ccc3ccccc3c2)cc1OC 12918502 AJRLMSSPYXZQLN-UHFFFAOYSA-N 351.402 3.552 0 40 FHAB C[C@@H](NC(=O)COc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 13494936 ISBPBEWBVPMDIJ-GFCCVEGCSA-N 357.797 3.646 0 40 FHAB Cc1ccccc1OC1CCN(C(=O)c2cn3cc(Cl)ccc3n2)CC1 19660774 VHUWOAMEUPVIQN-UHFFFAOYSA-N 369.852 3.980 0 40 FHAB CCSc1ccccc1C(=O)NCC1CCN([C@H]2CCSC2)CC1 225569811 RXOBMNOGAIRLKU-INIZCTEOSA-N 364.580 3.746 0 40 FHAB Cc1nnc(CN(C)C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)s1 660657465 QHWFPUCOYOMXBN-LBPRGKRZSA-N 371.293 3.982 0 40 FHAB COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)CCCn2ccnc2)cc1 19557469 RDABXXOMZNTEKS-LGGPRVQUSA-N 367.493 3.761 0 40 FHAB Cc1cc(C(=O)CCC(=O)OCc2nc(N)c3ccccc3n2)c(C)s1 18262547 CPONHDCKOHEBIO-UHFFFAOYSA-N 369.446 3.597 0 40 FHAB O=C(NCc1ccnc(-c2cccnc2)c1)c1ccc(OC(F)(F)F)cc1 238873519 NLXMDVAQOOVCIE-UHFFFAOYSA-N 373.334 3.972 0 40 FHAB CCOc1ccc(C(=O)N(CN2CCCC2=O)c2cccc(Cl)c2)cc1 4137946 KFAXJXPEUAHTMB-UHFFFAOYSA-N 372.852 3.965 0 40 FHAB COCCNC(=O)Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 9523604 XHWWRANSOFDULB-UHFFFAOYSA-N 356.853 3.648 0 40 FHAB COc1ccc(Cl)cc1-n1c(N)c(C(=O)N2CCCC2)sc1=S 12416079 DZRIZJPORPSWIS-UHFFFAOYSA-N 369.899 3.748 0 40 FHAB O=C(COc1ccc(Cl)cc1)Nc1ccc(CC(=O)N2CCCC2)cc1 13714099 WOELYGLELAGOIW-UHFFFAOYSA-N 372.852 3.522 0 40 FHAB COc1ccc(CCC(=O)NCc2cc(-c3ccc(F)cc3F)on2)cc1 16953671 AKIROARYPVRMBG-UHFFFAOYSA-N 372.371 3.877 0 40 FHAB C[C@@H](NC(=O)C(=O)NCc1cc(-c2ccco2)cs1)c1ccccc1 1775968852 NOTGCUGLFFASBY-CYBMUJFWSA-N 354.431 3.502 0 40 FHAB O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1ccc2cc[nH]c2c1 206787976 SJWVYHMNVOFAEV-HNNXBMFYSA-N 374.366 3.590 0 40 FHAB CN1C(=O)c2cccc3c(S(=O)(=O)Oc4ccc(Cl)cc4)ccc1c23 11691618 WENMHKNZJCNYNG-UHFFFAOYSA-N 373.817 3.851 0 40 FHAB Cc1ccc(S(=O)(=O)c2ccc(C(=O)NC3CCCCC3)cn2)cc1C 67240344 NLVZURKSWYUHBB-UHFFFAOYSA-N 372.490 3.594 0 40 FHAB S=C(Nc1ccccc1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 13577102 LCOUYPXNEIZLIA-HXUWFJFHSA-N 351.519 3.559 0 40 FHAB O=C(CSc1ccc2c(c1)OCCO2)Nc1ccc(N2CCCC2)cc1 10429008 FZHUAOTVUPSUHB-UHFFFAOYSA-N 370.474 3.789 0 40 FHAB CCCCCNC(=O)C1CCN(C(=O)[C@H](C)Oc2cccc(C)c2C)CC1 40121279 ZFYMGACMBRMVMR-SFHVURJKSA-N 374.525 3.616 0 40 FHAB COc1ccc(NC(=O)[C@H]2CC(O)=Nc3nc4ccccc4n32)cc1Cl 40267006 HEGIEGPCGSOVCV-CQSZACIVSA-N 370.796 3.870 0 40 FHAB Cc1ccccc1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 100744243 SOPSZIDTQABLCC-HZVDNRATSA-N 372.424 3.559 0 40 FHAB COC(=O)[C@@H](NC(=O)c1cc2sccc2n1Cc1ccccc1)C(C)C 40809190 IUWYSURXAIAHLJ-SFHVURJKSA-N 370.474 3.679 0 40 FHAB O=C(CCC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1cccs1 21870204 VBULTIPWCLWIFL-XBXARRHUSA-N 368.502 3.569 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)(C)C)ccc2C)cc1 667748 WNCRYDMSLGVENR-UHFFFAOYSA-N 360.479 3.633 0 40 FHAB CC(C)NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 865737 FOFUNFQXOZNCSI-BXKDBHETSA-N 358.389 3.743 0 40 FHAB Cc1ccccc1S(=O)(=O)Nc1ncc(C(F)(F)F)cc1Cl 2659775 BZPWSRASLBTRRQ-UHFFFAOYSA-N 350.749 3.863 0 40 FHAB O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccc(F)cc1Cl 3276211 URRQZSVMHIRUNQ-UHFFFAOYSA-N 358.756 3.823 0 40 FHAB O=C(COC(=O)/C=C/c1cccs1)Nc1ccccc1OC(F)F 3279932 BBFCWLFRUXNQME-BQYQJAHWSA-N 353.346 3.545 0 40 FHAB COc1cc(C(=O)OCc2c(F)cccc2Cl)cc(OC)c1OC 3315441 CUMGHBQQQIKELC-UHFFFAOYSA-N 354.761 3.862 0 40 FHAB COc1cc(/C=C2/N=C(c3ccccc3F)OC2=O)ccc1OC(F)F 3338088 CGCYNTANPXNJNU-MDWZMJQESA-N 363.291 3.780 0 40 FHAB Cc1ccccc1CN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O 4308627 KQVPWULALUEHGG-LJQANCHMSA-N 360.360 3.564 0 40 FHAB Cc1ccc(C(=O)NC2CCN(C(=S)Nc3ccccc3)CC2)cc1 4857475 RZQSNWUDDSOTME-UHFFFAOYSA-N 353.491 3.586 0 40 FHAB O=C(CSc1ncnc2sccc12)Nc1ccnn1C1CCCC1 6115285 HGRWVVPNFUPLCU-UHFFFAOYSA-N 359.480 3.734 0 40 FHAB O=C(O)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)s1 6588869 ATSHNTORVCLZRM-UHFFFAOYSA-N 352.220 3.554 0 40 FHAB CSc1nc(N2CCCC2)c2cc(C(=O)N3CCCCC3)sc2n1 7604278 AHLPNHFNOHSYQT-UHFFFAOYSA-N 362.524 3.640 0 40 FHAB CC(=O)Nc1ccccc1OCC(=O)N[C@@H](C)c1cc2ccccc2o1 7895625 ZNMOPTFHCRPCIM-ZDUSSCGKSA-N 352.390 3.647 0 40 FHAB O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc2c(c1)CCC2 7927417 TUEOOBOBUDCIOO-IBGZPJMESA-N 370.518 3.857 0 40 FHAB CCOCCCNCc1cc(Br)c(OCC)c(OCC)c1 8253132 KFZWPDULZQEBFA-UHFFFAOYSA-N 360.292 3.763 0 40 FHAB Cc1ccc(-c2nnc3n2N=C(c2cccs2)[C@H](CC(=O)O)S3)cc1 8391847 ZXMMFWWDIMGSEB-ZDUSSCGKSA-N 370.459 3.516 0 40 FHAB COc1cccc(OCCOCCN2CCCC[C@@H]2c2cccnc2)c1 8792456 FQSIMOGMYYIYQY-OAQYLSRUSA-N 356.466 3.713 0 40 FHAB biogenic O=C1C[C@H](c2ccccc2O)Cc2nc(N3CCc4ccccc43)ncc21 9264508 MVDAXVAYWNRIEQ-OAHLLOKOSA-N 357.413 3.789 0 40 FHAB CN(C)C(=O)[C@@H](Sc1nnc2sc3ccccc3n12)c1ccccc1 9322806 KKNNJUZEDWTWTM-HNNXBMFYSA-N 368.487 3.866 0 40 FHAB CC(C)c1csc(NC(=O)CNC(=O)c2ccc3ccccc3c2)n1 9836354 QCLPELOOLSYKBJ-UHFFFAOYSA-N 353.447 3.788 0 40 FHAB CC(C)[C@H](Sc1n[nH]c2nc3ccccc3n12)C(=O)Nc1ccccc1 9908725 KWNFCKDCKHACQA-INIZCTEOSA-N 365.462 3.966 0 40 FHAB CC[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)c1ccc(Cl)cc1 10423801 MXZLLAGJUAOPLG-QGZVFWFLSA-N 369.852 3.708 0 40 FHAB O=S(=O)(N[C@H]1CCSc2ccc(F)cc21)c1cc(F)cc(F)c1 10517971 LUSSSMFSURGIHK-AWEZNQCLSA-N 359.394 3.619 0 40 FHAB CCc1nnc(-c2ccc(NC(=O)c3cccc(OC)c3OC)cc2)o1 12443881 FVQNAOMFSGADGY-UHFFFAOYSA-N 353.378 3.569 0 40 FHAB Cc1cccc(C(=O)NCCC(=O)Nc2ccccc2N2CCCCC2)c1 12732349 HHLKCCPIOCLPQU-UHFFFAOYSA-N 365.477 3.744 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1occc1C 12737193 YRLKVRHMRLXNAU-NSHDSACASA-N 351.786 3.742 0 40 FHAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCC[C@H]2c2ccc(F)cc2)c1 12814779 WMJVCVNMDXYGDF-IBGZPJMESA-N 354.425 3.536 0 40 FHAB Cc1cccc(-n2ncc(C(=O)N3CCN(c4ccccc4C)CC3)c2C)c1 12822973 DDBRVACIZRPCBF-UHFFFAOYSA-N 374.488 3.760 0 40 FHAB C[C@H](NC(=O)COc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 13494937 ISBPBEWBVPMDIJ-LBPRGKRZSA-N 357.797 3.646 0 40 FHAB O=c1/c(=C\c2ccccc2Cl)sc2nnc(-c3ccc(Cl)cc3)n12 13547415 DBADSSITJDZZCV-NTEUORMPSA-N 374.252 3.673 0 40 FHAB Cc1ccc(NC(=O)c2ccccc2NC(=O)CCCC(=O)O)cc1C 14013085 XQDHPIIXFOTWPL-UHFFFAOYSA-N 354.406 3.749 0 40 FHAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)C1CCCCC1 14122422 DAHQDEBASKTDGD-UHFFFAOYSA-N 364.511 3.770 0 40 FHAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1(C)C 14188318 KPTNPZSDRGMSIP-APWZRJJASA-N 367.493 3.732 0 40 FHAB Cc1ccc(NC(=O)c2cn(C)cc3c(=O)n(-c4ccccc4)nc2-3)c(C)c1 17025932 GBUIKLSEUUYVEP-UHFFFAOYSA-N 372.428 3.545 0 40 FHAB Cc1cc(C)n([C@H](C)CC(=O)N2CCCC[C@H]2CN2CCCCCC2)n1 19572894 ZIPBHABVJLPPRW-UXHICEINSA-N 360.546 3.708 0 40 FHAB CCN(C(=O)c1sc(-c2ccccc2F)nc1C)C1CCN(C)CC1 19666240 WOGSFQXQLDPESN-UHFFFAOYSA-N 361.486 3.814 0 40 FHAB CC(C)c1ccc(OCc2cc([C@H]3CCN(Cc4ncc[nH]4)C3)[nH]n2)cc1 19704656 SELCXVYYKUGSBK-KRWDZBQOSA-N 365.481 3.825 0 40 FHAB Cc1nn(-c2ncccn2)c2c1[C@H](c1ccccc1OC(C)C)CC(O)=N2 20724660 OOPXYJLGAMLTSB-HNNXBMFYSA-N 363.421 3.882 0 40 FHAB C[C@H](c1ccccc1)N(C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 20814465 GNVUDQSVQHETAW-CQSZACIVSA-N 369.856 3.552 0 40 FHAB COC(=O)c1sccc1NC(=O)c1ccc(F)cc1Br 21589357 WJKXHVYNQWAQSO-UHFFFAOYSA-N 358.188 3.689 0 40 FHAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1cc(C)ccc1C)cn2C 22237154 GIKXNZTYNVLNQQ-UHFFFAOYSA-N 350.418 3.806 0 40 FHAB C[C@@H](CNC(=O)c1cccc(OCc2ccccc2Cl)c1)CN(C)C 22258300 JPSWDGDWJYAGSW-HNNXBMFYSA-N 360.885 3.847 0 40 FHAB CC(=O)Nc1ccc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1 22472528 DJUCOWCUQOOZLV-UHFFFAOYSA-N 366.339 3.516 0 40 FHAB COc1ccc(NCC(=O)Nc2ccccc2C(C)=O)cc1OC(F)F 23902670 AIMBXYCJTNOETR-UHFFFAOYSA-N 364.348 3.550 0 40 FHAB O=C(c1ccoc1)N1CCC(Nc2ncnc3c2oc2ccccc23)CC1 24206689 VREFAVLUBRWTAQ-UHFFFAOYSA-N 362.389 3.686 0 40 FHAB COc1cc(NC(=O)C[C@H](C)c2ccccc2)c(C(=O)N(C)C)cc1OC 25214395 VWUMTWXCXLQVOA-AWEZNQCLSA-N 370.449 3.538 0 40 FHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 26527586 YORWTYXVONAFLZ-UHFFFAOYSA-N 374.245 3.889 0 40 FHAB CCCOc1cccc(C(=O)NC[C@H](c2ccccc2OC)N(C)C)c1 27992468 QGEVGCSMAOEWIS-LJQANCHMSA-N 356.466 3.517 0 40 FHAB biogenic CCS(=O)(=O)Nc1cccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)c1 29915795 WLLCWMAGNYXJME-GFCCVEGCSA-N 366.870 3.593 0 40 FHAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2ccccc2-n2ccnc2C)c1 30751376 RMIYBWIDLXJPNU-KRWDZBQOSA-N 363.461 3.881 0 40 FHAB COc1cc(CN[C@H](C)[C@@H]2CCCO2)ccc1OCc1c(C)noc1C 30908429 GIKJWFLRUICSBJ-KDOFPFPSSA-N 360.454 3.536 0 40 FHAB Cc1cccc(-c2nc(CSc3nc(N)c4ccsc4n3)no2)c1 32330340 UIUCDLOLQWFADU-UHFFFAOYSA-N 355.448 3.924 0 40 FHAB C[C@H](C1CC1)N(C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)C1CC1 32810339 LFWOMDAKBSNPQI-CYBMUJFWSA-N 353.441 3.903 0 40 FHAB O=C(/C=C/c1cccc(Br)c1)Nc1ccc2c(c1)CCC(=O)N2 33065843 JLBJHRLXXXAZHE-XBXARRHUSA-N 371.234 3.986 0 40 FHAB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCC2)Nc1ccccc1F 33632300 RCTXIBZWHYWMRM-UHFFFAOYSA-N 371.359 3.854 0 40 FHAB S=C(NCc1ccccc1)N1CCC(n2cnc3ccccc32)CC1 35291830 KDYGJABJFBHLOP-UHFFFAOYSA-N 350.491 3.748 0 40 FHAB CCC(C)(C)NCC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 36396285 UQLKKDSMZIZVJQ-UHFFFAOYSA-N 374.506 3.831 0 40 FHAB O=C(C[C@H]1NCCc2c([nH]c3ccccc23)C1=O)Nc1ccc(Cl)cc1 38570993 QKXNAZRJACIQKZ-QGZVFWFLSA-N 367.836 3.547 0 40 FHAB biogenic Cc1ccccc1CCNC(=O)Cc1csc(-n2c(C)ccc2C)n1 40130687 KBGFGIBWENBNKX-UHFFFAOYSA-N 353.491 3.760 0 40 FHAB O=C(Cc1ccc(Cl)cc1)NCc1cccc(NC(=O)N2CCCC2)c1 54630831 WYJWYZKIWIHORD-UHFFFAOYSA-N 371.868 3.827 0 40 FHAB CN(C)c1ncccc1C(=O)Nc1ccc(-c2noc(C(C)(C)C)n2)cc1 57359330 PKEGCWROCRACGS-UHFFFAOYSA-N 365.437 3.747 0 40 FHAB C[C@H]1CN(C(=O)c2c(Cl)nc3ccccn23)C[C@H](c2ccccc2)O1 65529522 ZGAPZPXKVWXSJY-DZGCQCFKSA-N 355.825 3.590 0 40 FHAB O=C(/C=C/c1c(F)cccc1F)NCc1cccc(N2CCCCC2=O)c1 65875898 FEKJONWVQFGOMP-ZHACJKMWSA-N 370.399 3.811 0 40 FHAB O=C(NCc1cccc(O)c1)NCC1(c2cccc(C(F)(F)F)c2)CC1 67407077 QXWCMKGAOJEDSW-UHFFFAOYSA-N 364.367 3.942 0 40 FHAB Cc1nc(-c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)n[nH]1 69981200 XTKRTLLUNUFCSX-UHFFFAOYSA-N 364.430 3.734 0 40 FHAB CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)c2ccc(Cl)cc2)CC1 72203979 GRQGZWDMDLUAPY-UHFFFAOYSA-N 373.902 3.761 0 40 FHAB COc1ccc(-c2noc([C@H]3CCN(Cc4cccc(OC)c4)C3)n2)cc1 72369924 HGHOZMSIGOZAKC-KRWDZBQOSA-N 365.433 3.743 0 40 FHAB Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H](c1ccccc1)N1CCCC[C@@H]1C 72390419 WUTXIZZJCLRCEZ-HRAATJIYSA-N 368.525 3.611 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@](O)(c1ccco1)C1CC1 75154937 UIJNQGQNRTZDCC-LJQANCHMSA-N 363.841 3.504 0 40 FHAB COCCn1cc(CCCC(=O)N[C@H]2CCOC(C)(C)C2)c2ccccc21 79189495 PJIGYOQZHBVSCX-SFHVURJKSA-N 372.509 3.684 0 40 FHAB biogenic COc1ccc(CN2CCC3(CCC(CC(=O)N(C)C)CC3)CC2)cc1 96049274 NZXNDLSKFFOXTI-UHFFFAOYSA-N 358.526 3.946 0 40 FHAB CCOC(=O)c1sc(NCC(C)C)nc1CSc1nnc(C)s1 98087245 CGWDJPMULOFHNY-UHFFFAOYSA-N 372.541 3.840 0 40 FHAB O=C(O)C1=C[C@H](c2cccc(Cl)c2)n2nc(-c3ccccc3)nc2N1 100247786 DPDXRYQDAQYMHU-OAHLLOKOSA-N 352.781 3.582 0 40 FHAB Fc1cccc(CN2CCC[C@]3(C[C@@H](CNc4ccncc4)CO3)C2)c1 107790842 JDTZOSNZFMVBSC-RXVVDRJESA-N 355.457 3.704 0 40 FHAB CC[C@@H]1CN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC[C@@H]1NC(=O)OC(C)(C)C 108136160 BTAPQEKSDGUSBC-ADHGMGHFSA-N 364.530 3.965 0 40 FHAB O=C(O)c1ccc(NC2CCCC2)c(S(=O)(=O)Nc2ccccc2)c1 217503814 LNZSVPKUMHTKPP-UHFFFAOYSA-N 360.435 3.540 0 40 FHAB CC(C)Oc1ccc(CCCNC(=O)CCc2ccc3c(c2)OCO3)cc1 222652255 PRAXRMIUJAQJCK-UHFFFAOYSA-N 369.461 3.884 0 40 FHAB CCSc1nnc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)s1 222692638 ZTWJABURMLDUJB-LBPRGKRZSA-N 351.497 3.981 0 40 FHAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(CCOC)c1C 222870943 HJOVKRHGXMSZFH-MOPGFXCFSA-N 372.538 3.529 0 40 FHAB CCOC(=O)c1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1C 223171015 DHZSQFDJXVHATA-UHFFFAOYSA-N 367.445 3.859 0 40 FHAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CC 223315522 GZYKTOOBXXTOAG-LJQANCHMSA-N 372.896 3.826 0 40 FHAB CC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccco1)c1ccccc1 223335343 TVSYKHGHZAJFMP-OAQYLSRUSA-N 362.429 3.686 0 40 FHAB CC[C@@H](NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1)c1ccccc1C 223376645 IHGISZQMAQWVEJ-GOSISDBHSA-N 361.463 3.520 0 40 FHAB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccco2)cc1 223882107 BRMSNJQGOUSQQR-MOPGFXCFSA-N 364.474 3.918 0 40 FHAB Oc1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc[nH]1 224859879 XJBPTTKFMYUWKA-DLBZAZTESA-N 370.865 3.946 0 40 FHAB COc1ccccc1CNC(=S)Nc1nccc(-c2cccs2)n1 225185796 PKKDTVSVUIQLBC-UHFFFAOYSA-N 356.476 3.700 0 40 FHAB Fc1ccccc1CSCCNC(=S)Nc1ccc2c(c1)OCO2 225412149 BFNSYOMFDGWURQ-UHFFFAOYSA-N 364.467 3.774 0 40 FHAB CCCOc1ccccc1CCCNS(=O)(=O)c1ccc(F)cc1C 225597891 MNADMSSAQSVSEZ-UHFFFAOYSA-N 365.470 3.834 0 40 FHAB CCCOC1(C(=O)Nc2ccc(OCC)c(C(=O)OC)c2)CCCCC1 225851229 IFNHBIPLLSPKII-UHFFFAOYSA-N 363.454 3.940 0 40 FHAB CCCO[C@](C)(CC(C)C)C(=O)Nc1cnc(OCCOC)c(C)c1 225905036 FLNIEKNMUPBLOQ-LJQANCHMSA-N 352.475 3.585 0 40 FHAB C[C@@H]1C[C@@H](C)CN(c2cc(Cl)nc(NC(=S)NC3CCCC3)n2)C1 226007289 FKNTYDJNRVPBLC-VXGBXAGGSA-N 367.950 3.841 0 40 FHAB Cc1ccccc1OCC(=O)Nc1cc(N)ccc1N1CCCC[C@@H]1C 226253329 GTMCZCAAHQUTQM-INIZCTEOSA-N 353.466 3.974 0 40 FHAB COc1ccccc1CC(=O)N1C[C@H]2[C@@H](Oc3cccc(F)c3)CC[C@H]2C1 257200120 ACCBICOZLGQDEX-SCWSEQNSSA-N 369.436 3.693 0 40 FHAB c1ccc(-c2ccc3nnc(C4CCN(Cc5ccccn5)CC4)n3n2)cc1 306127727 GFPWWXHMQIPZGC-UHFFFAOYSA-N 370.460 3.566 0 40 FHAB FC(F)c1n[nH]c(=NCC2(c3ccc(Br)s3)CCC2)o1 330342244 AQWPJEZEDDLMAM-UHFFFAOYSA-N 364.215 3.787 0 40 FHAB COc1cc(C(=O)Oc2ccccc2/C=C(\C)[N+](=O)[O-])cc(OC)c1OC 408536953 UDFANBRRZDJXPV-FMIVXFBMSA-N 373.361 3.569 0 40 FHAB C[C@@H]1CCC2=NN(C(=O)c3cccc(Cl)c3)[C@](O)(C(F)(F)F)[C@H]2C1 409055426 BUIVTZFLZAJYPE-MURWCNHISA-N 360.763 3.839 0 40 FHAB c1ccc([C@@H]2C[C@@H]3CC[C@H](C2)N3c2cc(N3CCSCC3)ncn2)cc1 509482146 ZMVBYIJMADVJSV-REPLKXPHSA-N 366.534 3.945 0 40 FHAB CCc1oc2ccccc2c1CC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 528911426 YHHKJHYRYMRSLT-UHFFFAOYSA-N 371.458 3.888 0 40 FHAB Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)c2cccc(-n3cccn3)c2)C1 575414683 TZHKVVYERJAQNG-LJQANCHMSA-N 371.444 3.618 0 40 FHAB Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccco2)c2cccs2)c1C 585146787 PVPXIVDGHDRGMX-OAHLLOKOSA-N 368.458 3.845 0 40 FHAB Cn1c(NC(=O)Cc2c[nH]c3ncccc23)nc2cc(Cl)c(Cl)cc21 1648845320 LOKJUMRNVVKORG-UHFFFAOYSA-N 374.231 3.938 0 40 FHAB Cc1cccc(NC(=O)C(=O)NCCc2ccc(-c3ccco3)s2)c1C 2086896714 SKJTYXLIHRUQPT-UHFFFAOYSA-N 368.458 3.922 0 40 FHAB CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nc2ccccc2c1=O 905573 HSPZNBGENBBXHA-UHFFFAOYSA-N 367.474 3.764 0 40 FHAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CN(CC)CC 1036436 AETZGAIUIIDVFQ-UHFFFAOYSA-N 360.479 3.872 0 40 FHAB CC(=O)N(Cc1cc2cc(C)c(C)cc2n2nnnc12)C1CCCCC1 1367432 SFWZKQDVJXFCJD-UHFFFAOYSA-N 351.454 3.576 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC(c3cc(-c4ccco4)[nH]n3)CC2)cc1 1403399 SENUHCFJMCAWSP-UHFFFAOYSA-N 371.462 3.546 0 40 FHAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1Cl 1466574 VDPLAPQOTXGYLV-UHFFFAOYSA-N 363.200 3.618 0 40 FHAB O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc(C(F)(F)F)c2)N1 2109518 BCAAQHIVHZXLCQ-HOTGVXAUSA-N 360.335 3.875 0 40 FHAB biogenic CCc1cc(-c2nc(N)ncc2-c2ccc(OC)cc2)c(O)cc1OC 2126377 KAJZGYFJEAWMRE-UHFFFAOYSA-N 351.406 3.678 0 40 FHAB biogenic C[C@@]12COc3ccc(Br)cc3[C@H]1c1sc(=O)[nH]c1SC2 2483264 NCLGKAGYNWJNJI-HZMBPMFUSA-N 370.293 3.835 0 40 FHAB CCCCc1ccc(NC(=O)c2cc3c(=O)n4ccccc4nc3n2C)cc1 2917109 SJBDAFFIZDNECX-UHFFFAOYSA-N 374.444 3.781 0 40 FHAB C[C@H](NC(=S)NCCc1ccccc1)[C@@H](c1cccs1)N1CCCC1 3211443 NRQMKRQAOPNFFE-LPHOPBHVSA-N 373.591 3.980 0 40 FHAB Cc1ccc(NC(=O)COC(=O)CCc2nc3ccccc3s2)cc1F 3316733 GLGCVNPUDVZKCT-UHFFFAOYSA-N 372.421 3.858 0 40 FHAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cccc(N(C)C)c1 3345512 RLZXRCQTYAJKDQ-MNEFBYGVSA-N 361.482 3.913 0 40 FHAB O=c1oc2c(F)cc(F)cc2cc1S(=O)(=O)c1ccc(Cl)cc1 4484176 LKWSPUZLBXHDDL-UHFFFAOYSA-N 356.733 3.557 0 40 FHAB O=C(c1ccc(N[S@](=O)C23CC4CC(CC(C4)C2)C3)cc1)N1CCCC1 4512168 AACLEWLQJUVUPK-QPAIIGOXSA-N 372.534 3.967 0 40 FHAB CC(=O)N1CCCc2cc(NS(=O)(=O)c3cc(C)c(C)cc3C)ccc21 5099504 LYJVSHAYEACUKP-UHFFFAOYSA-N 372.490 3.712 0 40 FHAB Cc1cc(OCC(=O)OCC(=O)c2c[nH]c3ccccc23)ccc1Cl 6500934 RYJXAZFUANANPV-UHFFFAOYSA-N 357.793 3.935 0 40 FHAB CC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3n2C)c(F)c1 6974816 APQMNFRGXOGBEB-UHFFFAOYSA-N 357.410 3.646 0 40 FHAB Oc1ccc(C(=S)N2CCN(c3ccccc3F)CC2)cc1Cl 7091940 CPQGWVHSDLPESI-UHFFFAOYSA-N 350.846 3.682 0 40 FHAB COc1cc(C(C)=O)ccc1O[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 7200801 YMXAFPXNPUYTSB-AWEZNQCLSA-N 355.390 3.506 0 40 FHAB Cc1cc(NC(=O)[C@H](C)Sc2nc(C3CC3)n(-c3ccccc3)n2)no1 7538372 AKTSEOFONXPHID-LBPRGKRZSA-N 369.450 3.560 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1c2ccccc2C[C@@H]1C 7587508 OLDNHWLXKDSQMX-HNNXBMFYSA-N 360.461 3.879 0 40 FHAB Cc1ccc(C(=O)CCC(=O)OCc2nc(-c3ccsc3)no2)s1 7820827 UIFQPURGIYOOIZ-UHFFFAOYSA-N 362.432 3.874 0 40 FHAB COc1ccc(/C=C/C(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1F 7843511 TWMUGFLQDUCCGD-PKNBQFBNSA-N 365.408 3.692 0 40 FHAB O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1c(F)cccc1F 7927231 RJFDVBCPBDMMTG-ZDUSSCGKSA-N 366.433 3.646 0 40 FHAB COc1ccc(C(=O)NC(=S)Nc2cccnc2Cl)cc1Cl 8071864 UNYQMEGWGHTWCY-UHFFFAOYSA-N 356.234 3.524 0 40 FHAB CSCc1ccc(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 8349668 NZXLSIFDKOSGAO-OAHLLOKOSA-N 366.490 3.964 0 40 FHAB CCOc1ccc([C@H]2NC(=O)NC3=C2CCc2ccccc23)cc1OC 8970091 LYXUVTILUPPHIA-LJQANCHMSA-N 350.418 3.805 0 40 FHAB COC(=O)c1sc2nc(C)nc(Nc3ccc4c(c3)OCCO4)c2c1C 9353446 UYBBRNPZPFOESC-UHFFFAOYSA-N 371.418 3.610 0 40 FHAB CCCSc1ncc(Cl)c(C(=O)Nc2nnc(CC(C)C)s2)n1 9431837 MDNNRDUEBMBJLH-UHFFFAOYSA-N 371.919 3.934 0 40 FHAB C[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NC[C@H]1CCCO1 9495042 LTLYICMHFHKMGZ-GXSJLCMTSA-N 356.900 3.726 0 40 FHAB Cc1cc(C)n(C[C@H](C)NCc2cc(-c3ccc(Cl)cc3)c[nH]c2=O)n1 12187477 AKUGWKBYXCZQNR-AWEZNQCLSA-N 370.884 3.687 0 40 FHAB C[C@H]1CCC[C@H](NC[C@@H](O)COCCOc2ccc(Cl)cc2)[C@@H]1C 12549380 OSISLWGQAJWPLM-MGTHKWJCSA-N 355.906 3.511 0 40 FHAB COc1ccc(-c2nc(CC(=O)N[C@@H](C)c3cccnc3)cs2)cc1 12551896 PVWVQETWAHWKHD-ZDUSSCGKSA-N 353.447 3.634 0 40 FHAB CCC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1cc(OC)ccc1OC 12779294 YVJQYXBABAFOGO-IBGZPJMESA-N 368.433 3.800 0 40 FHAB COc1ccc(NCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1Cl 12871929 UDZADFHWRHZNTE-UHFFFAOYSA-N 373.840 3.524 0 40 FHAB CCc1cc2c(CN(C)CCOc3cccc(C)c3)cc(=O)oc2cc1O 12926760 GDTKVKVMMQSHOI-UHFFFAOYSA-N 367.445 3.880 0 40 FHAB O=C(N[C@H](c1ccccc1)C1CC1)c1cccc(NC(=O)[C@H]2CCCO2)c1 13005577 MHELLAPBEZQPEL-WOJBJXKFSA-N 364.445 3.685 0 40 FHAB CCN(CC)CCCNC(=O)c1cc(-c2cccs2)nc2onc(C)c12 13641887 AMJBHOGJOYMLRL-UHFFFAOYSA-N 372.494 3.721 0 40 FHAB Cc1cc2oc(=O)cc(CSCC(=O)NCc3ccco3)c2cc1C 13984399 RIVJTNXKOJNGIF-UHFFFAOYSA-N 357.431 3.552 0 40 FHAB C[C@@H](NC(=O)Cc1csc(NC(=O)c2ccccc2)n1)c1ccccc1 14049171 QPKJYMLXGDOQAX-CQSZACIVSA-N 365.458 3.815 0 40 FHAB CC[C@]1(c2ccccc2)NC(=O)N(Cc2coc(-c3cccs3)n2)C1=O 14116070 BZBDXWZYFAHJNT-LJQANCHMSA-N 367.430 3.760 0 40 FHAB O=C(NCCCN1CCCCC1)c1ccc(NC(=O)c2cccs2)cc1 14181495 NTAREGXPQMLDMB-UHFFFAOYSA-N 371.506 3.606 0 40 FHAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccc(Cn3cccn3)c2)c1C 14232494 HMOATOYZIHSGEK-UHFFFAOYSA-N 369.490 3.966 0 40 FHAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 14397700 VIKVFHSNXRZUEK-UHFFFAOYSA-N 370.833 3.517 0 40 FHAB COc1ccc2cc(CN(C)S(=O)(=O)Cc3ccccc3)ccc2c1 15335034 IHCQUDMDSOHQPH-UHFFFAOYSA-N 355.459 3.810 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 16022685 CFOCFBIQYFQSEV-HNNXBMFYSA-N 366.436 3.656 0 40 FHAB CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)C1CCC1 19017550 XWJDNLKCCXQYIV-NJDAHSKKSA-N 354.494 3.572 0 40 FHAB Cc1nccn1C[C@H](C)C(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C 19287751 CMZANBKOEOYXAK-MGPUTAFESA-N 371.481 3.502 0 40 FHAB CCc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)C4CC4)C3)noc2n1 19521936 SFBPTHOHGJFSOZ-NSHDSACASA-N 367.371 3.920 0 40 FHAB COc1ccccc1CCC(=O)N1CCC[C@@H](c2cc3ncccc3[nH]2)C1 19569840 QDGSUPQFHKQFQF-QGZVFWFLSA-N 363.461 3.910 0 40 FHAB CC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)NCCCOc3ccccc3F)c2C1 19661510 YHJDXLWOMVLJFG-CQSZACIVSA-N 373.472 3.899 0 40 FHAB C[C@H](NC(=O)c1ccc2c(c1)ncn2C1CC1)c1ccc2c(c1)OCCO2 19663079 HAMPLEXKZTVKOC-ZDUSSCGKSA-N 363.417 3.633 0 40 FHAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(C)c(O)c(C(=O)O)c2)c1 20144117 WNNJYBURQJCSDL-UHFFFAOYSA-N 357.406 3.848 0 40 FHAB Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCC3=O)cc2)c(C)c1 20454745 OBHNFPSCRXYLCE-QGZVFWFLSA-N 350.462 3.917 0 40 FHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc3[nH]cnc3c2)c1 21204269 MOTLRRUFEXLGLI-SFHVURJKSA-N 351.406 3.557 0 40 FHAB O=C(CCCc1nc2ccccc2s1)OCc1nnsc1Cl 21245010 YFJANMGMNGSIGA-UHFFFAOYSA-N 353.856 3.867 0 40 FHAB Cc1csc(CNC(=O)c2cccc(OCc3csc(C)n3)c2)n1 21482993 QEQNGRLRXVAGGC-UHFFFAOYSA-N 359.476 3.725 0 40 FHAB Cc1c(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cnn1-c1ccccc1 22008221 DVWDHAIUSBRVRT-UHFFFAOYSA-N 357.316 3.755 0 40 FHAB COc1cc(CNCCN(C)C)cc(Cl)c1OCc1cccs1 22107619 UTMPQZHSVKEKCJ-UHFFFAOYSA-N 354.903 3.640 0 40 FHAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1OC 22508727 HYVGFTORPPMCOV-NSHDSACASA-N 361.419 3.552 0 40 FHAB C[C@H](Sc1nnc(N)s1)C(=O)N[C@H](C)c1cccc2ccccc12 22738345 ZRTKDCAXJOJWFM-MNOVXSKESA-N 358.492 3.632 0 40 FHAB C[C@@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 23548373 OFWWKHGVBHHCAC-GFCCVEGCSA-N 368.424 3.789 0 40 FHAB CN(Cc1cccc(Cl)c1)C(=O)c1ccc(CN2CCCC2=O)cc1 25451837 XMHZKGQPIPXDCO-UHFFFAOYSA-N 356.853 3.735 0 40 FHAB COC[C@H](C)NC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc(OC)cc1)(C3)C2 27472294 SRBKDOYCFNFVHD-JZIXJXCISA-N 357.494 3.684 0 40 FHAB Cc1nc(COc2ccccc2/C=C/C(=O)N2CCOC(C)(C)C2)cs1 27641091 UQTAIIXPTJSWDS-CMDGGOBGSA-N 372.490 3.681 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccnn1Cc1cccs1 28403594 NVKRISZDCCLAQV-HNNXBMFYSA-N 359.426 3.928 0 40 FHAB Cc1ccc(C(=O)N2N=C(c3ccc(C)cc3)C[C@]2(O)C(F)(F)F)cc1 32101064 MIINVJGHPGJTJR-SFHVURJKSA-N 362.351 3.805 0 40 FHAB CNC(=O)[C@H]1CCCCN1C(=O)c1oc2c(ccc3ccccc32)c1C 33211917 WPZQRPBERFJNIE-QGZVFWFLSA-N 350.418 3.635 0 40 FHAB Cc1nc2n(c(=O)c1C)CN(Cc1ccccc1)CN2c1ccc(F)cc1 35581025 SSEADEVDTZQHAH-UHFFFAOYSA-N 364.424 3.568 0 40 FHAB COc1cc(CN2CCN(Cc3cccs3)CC2)ccc1OC(F)F 39978299 JMFHUJRVSZSNFE-UHFFFAOYSA-N 368.449 3.676 0 40 FHAB C[C@@H](c1ccccc1)N(C)C(=O)NCc1ccccc1CN1CCCC1=O 40069073 BAENWBSUDVTFNG-KRWDZBQOSA-N 365.477 3.712 0 40 FHAB CN(C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)C1CCCCCC1 40104859 AHKMQCBBYVVKLA-UHFFFAOYSA-N 357.454 3.522 0 40 FHAB COc1ccc(CCC(=O)NCc2ccc(N3CCCCCC3)nc2)cc1 40122067 MTWYMXPVYYWGED-UHFFFAOYSA-N 367.493 3.720 0 40 FHAB CCOC(=O)Nc1ccc(NC(=O)N[C@H]2CCOc3ccccc32)cc1 47945714 YCHJJFPGCQCGQF-INIZCTEOSA-N 355.394 3.900 0 40 FHAB CCCN1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 48338640 ZIUILOXWKVCCAC-GFCCVEGCSA-N 359.297 3.751 0 40 FHAB CCc1ccc(NC(=O)CSc2cc(-n3nc(C)cc3C)ncn2)cc1 49404069 KHNXNGRMEZIASO-UHFFFAOYSA-N 367.478 3.572 0 40 FHAB CCc1nc(C)c(C(=O)NCC2(c3ccccc3OC)CCOCC2)s1 50344115 MUTBUTNZTGYRCS-UHFFFAOYSA-N 374.506 3.501 0 40 FHAB O=C(CCc1ccccc1O)NCc1cccc(NC(=O)C2CCCC2)c1 55832787 KNRKFYJKKOAEHB-UHFFFAOYSA-N 366.461 3.770 0 40 FHAB Cc1cc([C@H]2CCCN2C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)no1 57154923 MLWJYMKFAJQRJS-UYAOXDASSA-N 353.466 3.559 0 40 FHAB Cc1cc(NC(=O)c2cnn(C)c2-n2cccc2)ccc1Oc1cccnc1 57309967 CSHWPDGDDDADGE-UHFFFAOYSA-N 373.416 3.959 0 40 FHAB O=C(CNC(=O)c1ccco1)N[C@H](c1ccc(Cl)cc1)c1ccsc1 58167276 VNOTXWGZHVSUQK-QGZVFWFLSA-N 374.849 3.630 0 40 FHAB CC(=O)Nc1cc(NS(=O)(=O)c2cc(C)sc2C)ccc1Cl 58172125 DOMMRXNKNRWWOQ-UHFFFAOYSA-N 358.872 3.778 0 40 FHAB C[C@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1ncc(-c2ccc(F)cc2)o1 65492710 LQXVSFWLVKOMHI-GUYCJALGSA-N 365.408 3.848 0 40 FHAB O=C(NC1CCCCC1)[C@@H]1CCCN(C(=S)Nc2ccccc2F)C1 84506879 OOKHTUUJXREDSS-CQSZACIVSA-N 363.502 3.683 0 40 FHAB Fc1ccc(-c2nc(CN3CCN(c4ccccn4)CC3)cs2)cc1 84610259 XZBJIDPYNQGDNQ-UHFFFAOYSA-N 354.454 3.666 0 40 FHAB CC(C)c1sc(Br)nc1C(=O)N[C@@H]1CCOC(C)(C)C1 85876800 GKFVHHOEGKTFMI-SECBINFHSA-N 361.305 3.716 0 40 FHAB biogenic O=S(=O)(Nc1ccc(F)cc1F)c1ccc(Br)c(F)c1 95067867 RMDBRSKFOSKWRU-UHFFFAOYSA-N 366.158 3.667 0 40 FHAB CCc1ccc(OCCc2nnc(NC(=O)c3ccccc3)s2)cc1 95116395 FQQUKCWUIDQPAZ-UHFFFAOYSA-N 353.447 3.974 0 40 FHAB O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(O)c(Cl)c1 95367629 IJRHSBXTEVHJLV-GOSISDBHSA-N 359.809 3.698 0 40 FHAB COc1cc(C(=O)O)cc(NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)c1OC 95424831 HQGNOERYWIIAIP-VXGBXAGGSA-N 361.419 3.514 0 40 FHAB CCOc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 95430808 GTSHKLJYZDSELD-UHFFFAOYSA-N 367.295 3.582 0 40 FHAB Cc1ccc(CN2CCC3(CC2)CO[C@@H](COCc2ccccn2)C3)o1 96106172 RWUNVCLWXOVVKR-HXUWFJFHSA-N 356.466 3.571 0 40 FHAB Cn1cc(CNC2(c3noc(CC4CCCC4)n3)CCCCCC2)cn1 97101246 WDRMRPSHEULXCC-UHFFFAOYSA-N 357.502 3.875 0 40 FHAB Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 104739799 YIWMSWDMMHRENB-WMEZAQDKSA-N 368.525 3.767 0 40 FHAB C[C@@H]1C(=O)Nc2cc(C(=O)N[C@H](c3ccccc3)C(C)(C)C)ccc2N1C 108458279 XDBIDBNSLOUUTH-AUUYWEPGSA-N 365.477 3.981 0 40 FHAB CN1CCCN(C(=O)c2cnc(-c3ccccn3)s2)c2cc(F)ccc21 122778753 WCPGIADSMIPLRL-UHFFFAOYSA-N 368.437 3.831 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@@H]1C(=O)NCc1ccoc1 171678328 KCNJFIUYOGXHNL-MNEFBYGVSA-N 366.461 3.680 0 40 FHAB O=C(c1ccc(OC(F)(F)F)cc1)N(Cc1ccco1)C1CCOCC1 206672855 FVNWWZGGFRBLMA-UHFFFAOYSA-N 369.339 4.000 0 40 FHAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N1CCN(c2ccc(F)cc2)CC1 222951085 KMDBQROFHDETFY-HXUWFJFHSA-N 370.468 3.949 0 40 FHAB C[C@@]1(C(=O)NCCCc2ccccc2F)CC(c2ccccc2F)=NO1 223272249 PRLDTPAUQFZQJF-FQEVSTJZSA-N 358.388 3.597 0 40 FHAB COc1ccc(F)cc1S(=O)(=O)Nc1ccc(OC2CCCC2)cc1 223694187 DIZSEFUSQFAOGD-UHFFFAOYSA-N 365.426 3.957 0 40 FHAB CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 224725289 NLZZAWXESLPTNO-UHFFFAOYSA-N 360.660 3.928 0 40 FHAB CCC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC1CCCCC1 225149575 NPZKVQGAWRYYBT-AWEZNQCLSA-N 350.890 3.916 0 40 FHAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1C 225262701 BXRMDVJUNJDAEL-UHFFFAOYSA-N 368.477 3.961 0 40 FHAB Cc1ccc(-c2noc(CN(C)C(=O)CCc3ccccc3F)n2)cc1 225690872 AWHKIVRWYMKLRH-UHFFFAOYSA-N 353.397 3.775 0 40 FHAB O=C(NCC1CCN(C2CCSCC2)CC1)c1cc2ccccc2[nH]1 238832628 GGWQZDQABPJQSV-UHFFFAOYSA-N 357.523 3.505 0 40 FHAB Cc1nc(CN2[C@H](c3ccc(F)cc3)C[C@H]3NC(=O)CCCC[C@@H]32)cs1 257270968 MWJCRGJBHOIKCT-QYZOEREBSA-N 373.497 3.965 0 40 FHAB Cc1ncoc1C(=O)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 257282785 OVHKTKDTQNJMRL-HNNXBMFYSA-N 364.405 3.585 0 40 FHAB CCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(CC)cc2)cc1 408627705 NEGZPPLBDDNAIR-UHFFFAOYSA-N 370.474 3.943 0 40 FHAB CCCCCC1=NN(C(=O)c2ccc(N(C)C)cc2)[C@@](O)(C(F)(F)F)C1 408948704 DECAZGGLTCQUPI-KRWDZBQOSA-N 371.403 3.786 0 40 FHAB Cc1ccccc1[C@H](CO)NC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 536500226 ZYYNTTCDDJNZFX-SQNIBIBYSA-N 363.379 3.967 0 40 FHAB Cc1c(C(=O)N2CC[C@H](n3cnc4ccccc43)C2)cnn1-c1ccccc1 575617325 NVECNBKEJYSUMP-SFHVURJKSA-N 371.444 3.618 0 40 FHAB COC[C@H]1CN(Cc2ccco2)CC12CCN(Cc1ccc(C)o1)CC2 585102711 BHPZCSBGGMRBCQ-GOSISDBHSA-N 358.482 3.542 0 40 FHAB C=CC(=O)N1CCCC[C@@H]1c1nc(C)cc(Nc2nc(C)c(C)s2)n1 585291609 SJWPBFUPYWGLAV-CQSZACIVSA-N 357.483 3.842 0 40 FHAB C[C@H](O)C[C@H]1CCCCCN1C(=O)c1ccc(Nc2cccnc2)cc1 614721090 GSDCYOBAKTYJOQ-OXJNMPFZSA-N 353.466 3.981 0 40 FHAB O=C(Nc1cc(Cl)ccc1OCC1CCC1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 626529976 RSIOEWHOJVUUFH-FDQGKXFDSA-N 364.873 3.896 0 40 FHAB COC1CCC(CNC(=O)c2ccccc2-c2ccccc2C(=O)O)CC1 630293347 RCNCSCPXVJHLKG-UHFFFAOYSA-N 367.445 3.987 0 40 FHAB Cc1noc(C)c1-c1ccc(OCc2nnc([C@H]3CCCOC3)o2)cc1 643650148 XAZFHWFEUTVAND-HNNXBMFYSA-N 355.394 3.814 0 40 FHAB C[C@H](NC(=O)N(C)Cc1cn(C)nn1)c1ccc(-c2ccc(F)cc2)cc1 664567637 BBLNEFDPPVGXKP-AWEZNQCLSA-N 367.428 3.524 0 40 FHAB CC(C)(CNC(=O)C(=O)Nc1ccccc1C(F)(F)F)c1ccsc1 1565519223 FFVBVXYCHBCIKQ-UHFFFAOYSA-N 370.396 3.799 0 40 FHAB O=C(NC1CCCC1)N1CCC[C@H](COc2ncccc2C(F)(F)F)C1 1776000682 FTQIJWGECAHOCO-ZDUSSCGKSA-N 371.403 3.843 0 40 FHAB CC(C)(C)OC(=O)NCC1(CC(=O)Nc2nccs2)CCCCC1 12409678 OAIKAGLHBRQKGQ-UHFFFAOYSA-N 353.488 3.947 0 40 FHAB CC(=O)N(Cc1cccs1)Cc1cc2cc(C)c(C)cc2n2nnnc12 1367464 BFFYIDPLTAASGC-UHFFFAOYSA-N 365.462 3.505 0 40 FHAB COc1ccc2c(c1)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 1682340 FEPNCXXZWLXIHV-QGZVFWFLSA-N 371.433 3.511 0 40 FHAB COc1ccc(OC[C@H](O)CN(C)Cc2ccc(C)o2)c(C(C)(C)C)c1 23701628 ILUQASNGZJKJLP-MRXNPFEDSA-N 361.482 3.766 0 40 FHAB CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)n[nH]2)cc1 3550485 VQWXRTRQJWCDPS-UHFFFAOYSA-N 354.435 3.601 0 40 FHAB COc1cc(NC(=O)N[C@H](C)CCc2ccccc2)cc(OC)c1OC 43170647 SYTNSALNOSNRIG-CQSZACIVSA-N 358.438 3.855 0 40 FHAB CCN1C(=O)N/C(=C/c2cn(Cc3cccc(C)c3)c3ccccc23)C1=O 6630209 RMBKQSWLPPTDGA-XDHOZWIPSA-N 359.429 3.911 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 8015167 PICZWWPKQBWXAF-INIZCTEOSA-N 358.869 3.765 0 40 FHAB Cc1sc2nc(CN3CCOCC3)nc(Oc3ccccc3)c2c1C 25423608 LTKYIMMGJDSUJI-UHFFFAOYSA-N 355.463 3.933 0 40 FHAB COCc1ccccc1CNC(=O)CN1CC[C@H](C)Sc2ccccc21 84700100 XEKYRWIEMAVJPH-INIZCTEOSA-N 370.518 3.840 0 40 FHAB COc1ccc(/C=C/C(=O)NCCOc2ccccc2Cl)cc1OC 59475256 UIIRXRCLXRNWFJ-CSKARUKUSA-N 361.825 3.566 0 40 FHAB COc1ccccc1/C=C1\SC(=O)N(CC(=O)c2ccccc2)C1=O 108129777 STEFCNPIEFDFTE-BOPFTXTBSA-N 353.399 3.614 0 40 FHAB Cc1nnc([C@H](C)Sc2cc(C(=O)NC3CC3)c3ccccc3n2)o1 48188818 VSIDVZPKAZSOJP-JTQLQIEISA-N 354.435 3.672 0 40 FHAB CCOC(=O)C1CCN(C(=O)c2sc(-c3ccccc3)cc2OC)CC1 48189883 BNJRWKNFIXMTNW-UHFFFAOYSA-N 373.474 3.839 0 40 FHAB CCCCc1nc(CN2CCN(Cc3ccc4c(c3)CCO4)CC2)cs1 48265587 PLCVTPHKXUEPLI-UHFFFAOYSA-N 371.550 3.738 0 40 FHAB COc1ccc2cc(CN(C)CC(=O)NCc3ccc(C)cc3)ccc2c1 12792910 AFZPHSFNNRJUEL-UHFFFAOYSA-N 362.473 3.905 0 40 FHAB C[C@H](C(=O)Nc1cccc2ccccc12)N1CCc2ccc(O)cc2CC1 58315001 VSEJEDQLRNTEEE-MRXNPFEDSA-N 360.457 3.973 0 40 FHAB CC(C)Cc1ccc([C@H](C)NC(=O)c2ccc(CNC(N)=O)cc2)cc1 12787083 FBTWZITYVAYJRK-HNNXBMFYSA-N 353.466 3.544 0 40 FHAB CCOC(=O)C1(C(=O)OCC)[C@@H](C(C)C)[C@]1(CC)C(=O)c1ccccc1 2296783 UPNSWUDTUTYFNY-OXJNMPFZSA-N 360.450 3.664 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)N2C[C@H](C)O[C@@H](C)C2)c1 45310771 TUBNICCBRGFMGQ-QYWGDWMGSA-N 366.461 3.678 0 40 FHAB Brc1ccc2nc(-c3ccccc3)nc(N3CCOCC3)c2c1 2308969 OORUNTYWHOUVRR-UHFFFAOYSA-N 370.250 3.896 0 40 FHAB CCCC[C@H](CC)CN[C@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)O 3354674 QDKTVLIHTGGCJU-XJKSGUPXSA-N 354.878 3.928 0 40 FHAB CC(C)C(=O)Nc1ccc(N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 11261212 ALHZLEBINGDCDW-IBGZPJMESA-N 369.440 3.852 0 40 FHAB CN(Cc1ccnn1C)c1nc(-c2cccs2)cc(C(F)(F)F)n1 36613459 NZVVBIIOISQQHP-UHFFFAOYSA-N 353.373 3.594 0 40 FHAB COc1ccc2nc(NC(=O)c3cncn3-c3ccccc3)sc2c1 28838523 OZSUTCRUYJRVSK-UHFFFAOYSA-N 350.403 3.743 0 40 FHAB CS(=O)(=O)c1ccccc1NC(=O)Cc1ccc(-c2ccccc2)cc1 12892736 QKRUAODNWGOLNR-UHFFFAOYSA-N 365.454 3.938 0 40 FHAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)/C=C/c2ccccc2F)C1 12885734 AKRLOWWMJUZAOI-GZKZCVOOSA-N 352.409 3.716 0 40 FHAB CCCCc1nnc2n1N1C(=CS[C@H]1c1ccc(C(=O)O)cc1)S2 20719787 WFBRIHZGLAGAIZ-AWEZNQCLSA-N 360.464 3.607 0 40 FHAB Cc1cc(C)n(CCCNC(=O)N(C)[C@@H](C)c2cc(F)ccc2F)n1 119967309 METICIVEZZULNS-AWEZNQCLSA-N 350.413 3.571 0 40 FHAB Cn1nc(C(=O)Nc2ccccc2Oc2ccccc2)c2ccccc2c1=O 3551860 SUJQGHSYHREGSY-UHFFFAOYSA-N 371.396 3.978 0 40 FHAB FC(F)(F)c1ccc(-n2ncc3c2COC[C@@H]3NCc2ccoc2)cc1 306138640 SCXSBLJJIMYACS-INIZCTEOSA-N 363.339 3.845 0 40 FHAB COC(=O)[C@@H](Cc1ccc(Cl)cc1)c1cc(=O)oc2cc(OC)ccc12 13721362 ALJXBYOWTOPUMN-KRWDZBQOSA-N 372.804 3.954 0 40 FHAB Cc1ccc2nc(CSc3nnc(-c4ccccc4F)n3C)cn2c1 6106353 WBDSZOVERKUGPY-UHFFFAOYSA-N 353.426 3.870 0 40 FHAB Cc1nc(CN(C)C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)cs1 65516702 ITUOURDBPMOTNB-WMZOPIPTSA-N 359.495 3.761 0 40 FHAB COc1cccc([C@@H](CNc2ncnc3sccc23)N2CCCC2)c1 14123929 MEJATGJKAUKNLS-QGZVFWFLSA-N 354.479 3.949 0 40 FHAB CSc1nc(C)c(CCC(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1 9377358 LBZKQFZQARCGNG-UHFFFAOYSA-N 359.539 3.833 0 40 FHAB CC[C@H]1CCc2nc(NC(=O)CN(C)c3ccc(Cl)cn3)sc2C1 65796323 RDOOUBXVAKLPLB-NSHDSACASA-N 364.902 3.781 0 40 FHAB CCSc1cc(C(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)ccn1 65838641 FAHAPLANMIYEIF-CYBMUJFWSA-N 371.462 3.641 0 40 FHAB COc1cccc(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 9499442 ZEAGGJPWKJIBNG-UHFFFAOYSA-N 352.434 3.503 0 40 FHAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)o1 4704650 USKYOHOLWGLDQT-CXUHLZMHSA-N 370.430 3.880 0 40 FHAB C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1sccc1C(N)=O 9479889 BSMVONDZMWQJSS-MRVPVSSYSA-N 363.489 3.576 0 40 FHAB Fc1ccc(CN2CC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cc1 306134544 NRAQIDKPUFETEM-IBGZPJMESA-N 373.435 3.920 0 40 FHAB O=C(OCc1cc(=O)oc2cc(O)ccc12)c1cc2ccccc2cc1O 5842229 MMSJTACPYIEZLZ-UHFFFAOYSA-N 362.337 3.714 0 40 FHAB CCCn1nnc(NCc2ccc(-c3ccc(Br)cc3)o2)n1 15356949 IAIHLJPPAZVDFP-UHFFFAOYSA-N 362.231 3.718 0 40 FHAB O=C(O)c1nnn(-c2ccc(Oc3ccccc3)cc2)c1-c1ccncc1 67323666 QWYGMSJJSITZSV-UHFFFAOYSA-N 358.357 3.820 0 40 FHAB in-vitro COc1ccccc1OCC(=O)NCc1csc(-c2ccccc2)n1 15832332 PUGIXJQCYSEGQS-UHFFFAOYSA-N 354.431 3.514 0 40 FHAB CCc1ccc(NC(=O)Cc2nc(-c3ccc(O)cc3O)cs2)cc1 9591359 AVPBUSZNSDWBTR-UHFFFAOYSA-N 354.431 3.965 0 40 FHAB CCn1c2ccccc2c2cc(NC(=O)C3CCN(C(N)=O)CC3)ccc21 72515122 SJDRCYRNKVRMFC-UHFFFAOYSA-N 364.449 3.544 0 40 FHAB CC[C@@H](C)[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1 7843192 GRMGTYBTOHQXON-BEFAXECRSA-N 374.506 3.705 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)c1ccc(CN2CCSCC2)cc1 71853515 OIDQUTYCRQQDJS-GOSISDBHSA-N 368.546 3.987 0 40 FHAB CCCn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nc2ccccc2c1=O 8195412 CJODEVQKVXWADH-HUUCEWRRSA-N 373.522 3.688 0 40 FHAB CCOc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1Cl 408586716 QDFYGEJIQOYDMB-UHFFFAOYSA-N 360.262 3.871 0 40 FHAB CCc1c(C(=O)OC)cnn1-c1cc(Oc2cc(C)cc(C)c2)nc(C)n1 19910300 CUMBUJZZFIZPSG-UHFFFAOYSA-N 366.421 3.729 0 40 FHAB CCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1cccc(Cl)c1)C3 20796353 ONFRRILHKFVKOO-LLVKDONJSA-N 358.854 3.802 0 40 FHAB O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1cccs1 18097063 ILJLSRKKLKJEIE-UHFFFAOYSA-N 362.501 3.900 0 40 FHAB O=C(Nc1ccccc1N1CCOCC1)c1cc(-c2ccccc2F)on1 69873219 AYDMZJHBOHIOFY-UHFFFAOYSA-N 367.380 3.570 0 40 FHAB COc1cccc(C2=CCN(C(=O)Nc3cc(NC(C)=O)ccc3F)C2)c1 95467046 BEVGUIPISYKDHC-UHFFFAOYSA-N 369.396 3.724 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)cc1Cl 20030020 ZTPONVITMYFGAS-UHFFFAOYSA-N 365.760 3.957 0 40 FHAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(OC(C)(C)C)cc1 88390631 XPFAKSCAHYYBFR-HNNXBMFYSA-N 357.458 3.674 0 40 FHAB C[C@H]1CCCC[C@@]12NC(=O)N(Cc1csc(-c3ccsc3)n1)C2=O 9951668 MHQRVSRWPZKKKX-APPDUMDISA-N 361.492 3.872 0 40 FHAB O=C(CC1CCCC1)NC1CCC(C(=O)Oc2ccc3[nH]ncc3c2)CC1 75092199 SGFVLWSKQBJALU-UHFFFAOYSA-N 369.465 3.724 0 40 FHAB COc1ccc(CN2CCOC[C@H]2c2nc(-c3ccc(C)cc3)c[nH]2)cc1 67898659 UXDBWZWAAHCVKS-NRFANRHFSA-N 363.461 3.967 0 40 FHAB biogenic,in-vitro Cc1ccc2scc(N3CCN(Cc4ccccc4)CC3)c(=O)c2c1 56925374 RLAVTFCDWFOZPI-UHFFFAOYSA-N 350.487 3.892 0 40 FHAB CCOc1cc(C(N)=O)cc(Br)c1OCc1cccc(F)c1 216835630 UMSKKYXFUHXECD-UHFFFAOYSA-N 368.202 3.665 0 40 FHAB O=C(Cc1noc(COc2cccc(Cl)c2)n1)Nc1ccccc1F 34791722 CJNJTERKGOGENE-UHFFFAOYSA-N 361.760 3.622 0 40 FHAB Cc1cc(C)nc([C@@H]2CCN(C(=O)c3cc(C4CCCCC4)no3)C2)n1 72369767 KAKKIMSBMHYPEP-MRXNPFEDSA-N 354.454 3.759 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cnc(Cl)c(C)c2)cc1 72217790 CNGWVBYXWGIYSG-INIZCTEOSA-N 350.871 3.878 0 40 FHAB O=C(Nc1ccc2c(c1)OCCCO2)c1cc2c(cc1Cl)OCCO2 41126455 WAUSQJFYBRYFOW-UHFFFAOYSA-N 361.781 3.525 0 40 FHAB Cc1nc2nc3ccn(CC(C)C)c(=O)c3c(-c3cccc(Cl)c3)n2n1 40398346 CRENIAIKIMHCKU-UHFFFAOYSA-N 367.840 3.724 0 40 FHAB COc1ccccc1CNC(=O)c1sc(NCc2ccco2)nc1C 44901359 OZBNCOWYIZSUPL-UHFFFAOYSA-N 357.435 3.595 0 40 FHAB CCCCC[C@](C)(OCC)C(=O)Nc1cnc(OCCOC)c(C)c1 225897991 ZUJIHHJQDYKAGZ-IBGZPJMESA-N 352.475 3.729 0 40 FHAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1C 225524870 UEXLIPJNHSOPEH-UHFFFAOYSA-N 366.461 3.811 0 40 FHAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCc1ccc(C)cc1 222906748 HQWOPHZYQPHPBJ-KRWDZBQOSA-N 370.468 3.968 0 40 FHAB O=C(CCc1nc(-c2cccs2)no1)N1CC[C@H]1Cc1ccccc1 530878197 SAJYBDINXOYLMP-HNNXBMFYSA-N 353.447 3.574 0 40 FHAB CCOc1ccc2c(c1)OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O 225820519 ZORSQMLPYZYYOE-UHFFFAOYSA-N 361.438 3.820 0 40 FHAB CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1COC(C)C 224713822 YBVWLEMEMXIYFZ-UHFFFAOYSA-N 357.450 3.949 0 40 FHAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1ccccc1 222630317 MHMVRQZISUGENP-SFHVURJKSA-N 366.505 3.951 0 40 FHAB O=C(N=c1cc(-c2ccccc2F)o[nH]1)N1CCC(c2ccncc2)CC1 577342190 SFKWFIHRJFZKLA-UHFFFAOYSA-N 366.396 3.709 0 40 FHAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1OC 96586422 URDHOWOUZQFAIS-CQSZACIVSA-N 355.434 3.989 0 40 FHAB CC(C)(C)OC(=O)N1CCC2(CC[C@@H](COCc3ccccc3)N2)CC1 95829415 IBPUOPZDGOEOMN-SFHVURJKSA-N 360.498 3.725 0 40 FHAB Cc1nc(CO[C@@H]2CCOC3(C2)CN(Cc2ccccc2C)C3)cs1 248140767 FMEHJMWTWHMPCS-LJQANCHMSA-N 358.507 3.710 0 40 FHAB COc1cccc(Nc2cc(C)nc([C@@H]3CCN(c4ncccn4)C3)c2)c1 257340546 ZGQWXSOWSSZUFD-MRXNPFEDSA-N 361.449 3.926 0 40 FHAB Cc1cccc(Nc2cc([C@@H]3CCCCN3Cc3cc[nH]n3)nc(C)n2)n1 257234160 GSKOGJLPSTWMHT-SFHVURJKSA-N 363.469 3.682 0 40 FHAB CC(=O)Nc1cc(CCC2CCN(C(=O)CC3CCCC3)CC2)ccn1 257326162 WWBJEQPGPGBGST-UHFFFAOYSA-N 357.498 3.792 0 40 FHAB COc1ccc(NC(=O)NC[C@H]2CCCN2C)cc1Cc1ccccc1 620322019 RNDKMRHMLBKQCU-LJQANCHMSA-N 353.466 3.502 0 40 FHAB O=C(Oc1ccc(I)cc1)c1ccc(F)c(F)c1 95932815 RTXRSAQSTUURRN-UHFFFAOYSA-N 360.097 3.789 0 40 FHAB CC(C)(C)c1cc2nc(C3CCN(Cc4ccoc4)CC3)cc(N)n2n1 12120854 LYROADQPGGPRGV-UHFFFAOYSA-N 353.470 3.582 0 40 FHAB CCC[C@H]1c2cccn2CCN1C(=O)c1cc2ccc(OC)cc2n1C 12148687 LWMCGEAFXNYLHC-SFHVURJKSA-N 351.450 3.986 0 40 FHAB O=C(c1ccc(F)cc1)N1CCCc2cc([C@@H](O)CN3CCCC3)ccc21 12291334 BKYSWMLEZSHCMW-NRFANRHFSA-N 368.452 3.548 0 40 FHAB COc1ccc(/C=C(/C(=O)NCCCN2CCCC2)c2ccccc2)cc1 13612837 XJDNIFUGEKEMSZ-RELWKKBWSA-N 364.489 3.838 0 40 FHAB COc1ccc(CC(=O)NC[C@H](c2ccc(C)o2)N2CCC(C)CC2)cc1 15860325 VQRBEZIIHZGSQS-HXUWFJFHSA-N 370.493 3.729 0 40 FHAB Cc1cnc(-c2nnc([C@H]3CCN(Cc4ccc(C(C)C)cc4)C3)o2)cn1 19239177 AWTSEQYHNYKIBH-SFHVURJKSA-N 363.465 3.948 0 40 FHAB COc1ccc([C@@H]2[C@@H](NC(=O)C[C@@H](C)n3ccnc3)[C@H]3CCCC[C@H]32)cc1 19455498 INXUSRUAMUXTRN-WGHVLJOSSA-N 367.493 3.931 0 40 FHAB C[C@@H](Cc1ccc(F)cc1)N1CC[C@@]2(CCc3ccccc3C(=O)N2)C1 19456787 CCWNOGYVXNWTQL-AOMKIAJQSA-N 352.453 3.577 0 40 FHAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN(CC3CC3)C2)c1 19694545 DNABPEMDGRJQCV-GOSISDBHSA-N 366.509 3.808 0 40 FHAB Cc1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1Cl 19983670 GIVPNVFTLAORBH-UHFFFAOYSA-N 365.216 3.666 0 40 FHAB C[C@H](NC(=O)CSc1nnc(-c2cccs2)o1)c1cccs1 6462754 FJXZWJBQHZKDRA-VIFPVBQESA-N 351.478 3.829 0 40 FHAB CC(C)(C)n1nc2c(c1NC(=O)c1cccc3ccccc13)C[S@@](=O)C2 2725165 XQTUDZAOJIQVAE-SANMLTNESA-N 367.474 3.806 0 40 FHAB CS(=O)(=O)c1cccc(C(=O)Nc2nc3c(Cl)cccc3s2)c1 4517824 OOCMFSMBOJPMSI-UHFFFAOYSA-N 366.851 3.606 0 40 FHAB CCc1ccc(-n2c(=O)c3ccccc3n(Cc3ccc(F)cc3)c2=O)cc1 4905872 YOVSRSGOJXOVKI-UHFFFAOYSA-N 374.415 3.902 0 40 FHAB CSc1ccccc1NC(=O)N[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 5123537 XIRVUQSTPXYSPF-CQSZACIVSA-N 355.463 3.644 0 40 FHAB Cc1ccc(NC(=O)c2cccn(Cc3ccccc3F)c2=O)cc1C 5270411 PJOAQNPDIHHVER-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB O=C(NC[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1cccc(Cl)c1 9039786 GIBOEHAPBNMBKF-LBPRGKRZSA-N 361.804 3.654 0 40 FHAB Cc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)Nc1ccccc1 16842237 MPZGYFVVEWQUGC-UHFFFAOYSA-N 367.405 3.697 0 40 FHAB FC(F)(F)c1ccnc(OC2CCN(CCCc3ccccc3)CC2)n1 1775975899 PSSYIMGZEXAGDU-UHFFFAOYSA-N 365.399 3.971 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)NCc1ccc([C@H](O)c2ccccc2)s1 207969703 FLYWJIDLWGZLIL-FOIQADDNSA-N 367.470 3.914 0 40 FHAB O=C(NCc1ccnc(-c2cccs2)c1)c1cc(-c2cccnc2)on1 225652350 ZQSGEIBSDSEACU-UHFFFAOYSA-N 362.414 3.790 0 40 FHAB O=S(=O)(NCc1ccc(-c2ccco2)o1)c1cccc2cccnc12 575610200 MAGFRWONVPATAN-UHFFFAOYSA-N 354.387 3.566 0 40 FHAB Cc1cccc2c(=O)n(CCCC(=O)Nc3ccc(Cl)cc3)cnc12 10405370 PHALWHPBTZDBJA-UHFFFAOYSA-N 355.825 3.777 0 40 FHAB O=C(NCCC1=CCCCC1)C1(S(=O)(=O)c2ccccc2)CCCC1 40032270 BQZSSKHIJCVJNZ-UHFFFAOYSA-N 361.507 3.780 0 40 FHAB O=C(Cn1ccc2ccc(F)cc21)Nc1nnc(Cc2ccccc2)s1 40268640 SRGOWWOIUJJBNP-UHFFFAOYSA-N 366.421 3.861 0 40 FHAB COc1ccc(OCC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)cc1 31953394 UDDKTXFOFJQIHY-GFCCVEGCSA-N 369.339 3.850 0 40 FHAB O=C1c2ccccc2N[C@]2(C(=O)Nc3ccccc32)N1c1ccc(F)cc1 101621194 PDZBQSWIKRBOKS-NRFANRHFSA-N 359.360 3.703 0 40 FHAB Cc1cccc(C)c1OCC(=O)N1CCCC[C@H]1CCN1CCCCC1 21170473 YEXZYILDCGTLDU-FQEVSTJZSA-N 358.526 3.939 0 40 FHAB C[C@H](NC(=O)CCNC(=O)c1cccs1)c1cccc2ccccc12 32716688 MJZXEPTYWOEUML-AWEZNQCLSA-N 352.459 3.899 0 40 FHAB CC(=O)c1c(F)cccc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 52449611 IXLBLEFNLHMLHL-UHFFFAOYSA-N 355.413 3.587 0 40 FHAB C[C@@H](NC(=O)c1cn(-c2cccc(Br)c2)nn1)c1ccccc1 32815584 QOHFIRDOFBBCPJ-GFCCVEGCSA-N 371.238 3.521 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)NCCc1cc(Cl)c2c(c1)OCCO2 32863242 LPNHNZRZDKBRIG-WFASDCNBSA-N 352.862 3.532 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1noc(-c2ccccc2C)n1 21806700 PYGHZQUOMHFBDO-INIZCTEOSA-N 355.369 3.980 0 40 FHAB CCOc1ccc([C@@H]2NCCc3cc(OC)c(OC)cc32)cc1OCC 718331 MFMMJAAVIGZLIL-NRFANRHFSA-N 357.450 3.736 0 40 FHAB biogenic CCC(CC)[C@H](CNC(=O)c1cc(Cl)ccc1Cl)N1CCOCC1 22755361 NLCRDKSVGAVZKT-KRWDZBQOSA-N 373.324 3.860 0 40 FHAB O=C1N(CCc2ccccc2)c2ccccc2[C@]1(O)c1c[nH]c2ccccc12 2241408 GRTDTILBELIDKW-DEOSSOPVSA-N 368.436 3.993 0 40 FHAB CCn1c(SCCC(C)C)nc2nc3c(cc2c1=O)COC(C)(C)C3 2364221 VAXVWLXOYTZXHD-UHFFFAOYSA-N 361.511 3.801 0 40 FHAB Cc1ccc(C(=O)CSc2nnc(-c3ccc(Cl)nc3)n2C)cc1 2565152 INAISRHCNBIIAZ-UHFFFAOYSA-N 358.854 3.814 0 40 FHAB CCOc1ccc(C(C)=O)cc1CSc1nnnn1-c1cccc(C)c1 2634037 FJBIWJPWYRNPNS-UHFFFAOYSA-N 368.462 3.864 0 40 FHAB Cc1ccc(-c2cc(C(=O)OCC(=O)NC(C)C)c3ccccc3n2)cc1 2642337 NKLJHUAASCGSCO-UHFFFAOYSA-N 362.429 3.892 0 40 FHAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)/C=C/c1ccc(F)cc1 3256474 HVZOTFSHGDXUMP-VDUMAWNISA-N 350.437 3.982 0 40 FHAB CC(C)C[C@@H](C(=O)Nc1ccc(F)cc1F)N1C(=O)c2ccccc2C1=O 3259057 IAGLQCPNAVBUMO-KRWDZBQOSA-N 372.371 3.614 0 40 FHAB O=C(COC(=O)/C=C/c1cccc(F)c1)Nc1ccc(OC(F)F)cc1 3270319 YPQUEZKJRWZHIS-RUDMXATFSA-N 365.307 3.622 0 40 FHAB C[C@H](OC(=O)c1ccncc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3291730 OBNFHFAZZKQULO-VIFPVBQESA-N 372.730 3.938 0 40 FHAB CCN(CC)c1ccc(C(=O)OCC(=O)c2ccc(OC)cc2OC)cc1 3396485 NPEDJGHYZCIBAR-UHFFFAOYSA-N 371.433 3.590 0 40 FHAB COc1cc(OC)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)c1 3398038 FWOGAUUHSKLRFT-NSHDSACASA-N 363.797 3.541 0 40 FHAB O=C(C[C@H]1Sc2ccccc2NC1=O)N[C@@H]1CCCc2ccccc21 3441455 UVNDUSRIFSFFTC-CRAIPNDOSA-N 352.459 3.683 0 40 FHAB COc1cccc(C(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3)no2)c1 4490197 LULZIYJBOAIDOJ-KRWDZBQOSA-N 367.380 3.862 0 40 FHAB Cc1cccc(C)c1NC(=O)CCC(=O)OCC(=O)c1ccc(F)cc1 4543974 YDLNWXYGIMIGLH-UHFFFAOYSA-N 357.381 3.587 0 40 FHAB C[C@@H](CC(=O)NCc1ccco1)CC(=O)Nc1cccc(C(F)(F)F)c1 4681831 GCOBNWCGZZEHLP-LBPRGKRZSA-N 368.355 3.970 0 40 FHAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1 4835109 WSDQRBZRITVUDB-MRXNPFEDSA-N 356.491 3.784 0 40 FHAB CC(=O)c1cccc(Nc2c(Cc3ccccc3)c(C)nc3ncnn23)c1 4898006 WXCPASGOTQEOAI-UHFFFAOYSA-N 357.417 3.970 0 40 FHAB Cc1ccc(OCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1C 5429165 ANSPTYOVYRJNJI-UHFFFAOYSA-N 371.824 3.702 0 40 FHAB CCCOc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C(C)C)cc1 6073272 SPGOCVIMUAHYKV-MRXNPFEDSA-N 361.467 3.970 0 40 FHAB O=C(NCc1cccnc1)c1cc(-c2ccccc2)nn1-c1ccccc1 6248251 TWAWOJDNTDXARX-UHFFFAOYSA-N 354.413 3.864 0 40 FHAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccc2c(c1)OCCO2 6653558 TTXHIWDJMLTKKK-UHFFFAOYSA-N 363.417 3.786 0 40 FHAB COc1ccc(CNC(=O)CSc2cc(C)c3ccccc3n2)cc1 6832143 LOKAKXGPIRLKAE-UHFFFAOYSA-N 352.459 3.960 0 40 FHAB C[C@@H](Nc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Br)cc1 7221180 SMQNLNJUSAPTNM-SNVBAGLBSA-N 363.211 3.617 0 40 FHAB Cc1cccc(C)c1NC(=O)CN(C)[C@H](C)C(=O)c1c[nH]c2ccccc12 7682852 LDKWAANUGMJUMQ-MRXNPFEDSA-N 363.461 3.926 0 40 FHAB O=C1c2ccccc2N[C@@H](c2cccc(O)c2)N1c1ccc2c(c1)OCO2 7885059 QDXLXEVHXRZHCM-HXUWFJFHSA-N 360.369 3.892 0 40 FHAB CC1CCC(NC(=O)CN2CCC(c3nc4ccccc4o3)CC2)CC1 7988257 BVRWYVXHDYXZOX-UHFFFAOYSA-N 355.482 3.702 0 40 FHAB CN(C(=O)CN1CCCCC1)[C@@]1(c2ccccc2Cl)CCCCC1=O 8263372 LLCPMJDCRSNLTA-HXUWFJFHSA-N 362.901 3.623 0 40 FHAB O=C(Cc1csc(-c2ccccc2)n1)NC[C@H]1COc2ccccc2C1 8326619 QJHAEWXYBYBJGY-HNNXBMFYSA-N 364.470 3.720 0 40 FHAB Cc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cnn1-c1ccccn1 8715158 POAHZXSYNFBWOK-UHFFFAOYSA-N 362.311 3.727 0 40 FHAB CCCOc1ccc(C(=O)CCC(=O)Nc2nc3ccccc3[nH]2)cc1 8746350 NLPHRVSPJMDFAC-UHFFFAOYSA-N 351.406 3.953 0 40 FHAB CC1=C(C(=O)Nc2ccccc2F)[C@H](c2cccc(Cl)c2)NC(=O)N1 8767269 WWMQBXQXTZYJIE-INIZCTEOSA-N 359.788 3.746 0 40 FHAB O=C(CCc1cccs1)Nc1ccccc1C(=O)NCC(F)(F)F 8850864 PZSGNBYSOXCAPA-UHFFFAOYSA-N 356.369 3.612 0 40 FHAB COc1ccc(CC(=O)Nc2ccccc2OC(F)(F)F)cc1OC 8980672 OUAAUEXTMZLBLG-UHFFFAOYSA-N 355.312 3.784 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)NCCCSc1ccccc1 9455202 LVUJAIICJHYNHZ-UHFFFAOYSA-N 373.474 3.575 0 40 FHAB CCc1cccc(CC)c1NC(=O)c1ccc(N(CC)S(C)(=O)=O)cc1 10008588 BGALUCUEGDYFDW-UHFFFAOYSA-N 374.506 3.850 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)ns1 11917195 YXFVTAPQVYLHHW-LLVKDONJSA-N 373.409 3.759 0 40 FHAB CC(C)c1nccn1CC(=O)N[C@H](Cc1ccsc1)c1nccs1 12087887 RNVHAWOBEZLBNB-CQSZACIVSA-N 360.508 3.625 0 40 FHAB COc1ccccc1CN1CCCC[C@H]1c1cc2nc(C)c(C)c(O)n2n1 12337778 ZGDSASYLROJTDW-SFHVURJKSA-N 366.465 3.788 0 40 FHAB COc1ccccc1CC(=O)OCc1nc(-c2cccc(Cl)c2)no1 12575938 YMWOZCWFGPQKCJ-UHFFFAOYSA-N 358.781 3.685 0 40 FHAB O=C(OCc1nnc(-c2ccc(Br)s2)o1)c1ccoc1 12910026 RKLXGUZYPMKFMU-UHFFFAOYSA-N 355.169 3.511 0 40 FHAB COc1ccc(C(=O)NCCCc2cccc(OC(C)C)c2)cc1OC 13674792 FPYXSMQJFBKJDB-UHFFFAOYSA-N 357.450 3.854 0 40 FHAB CC(=O)c1c[nH]c(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1 14108786 KYXGLULVBPTKEJ-ZDUSSCGKSA-N 353.447 3.847 0 40 FHAB COC(=O)c1c(NC(=O)c2cncc(Br)c2)sc(C)c1C 15323550 AUYGUAIKVDVWFA-UHFFFAOYSA-N 369.240 3.561 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1 15796683 XWANZASVUSUTDU-INIZCTEOSA-N 372.490 3.810 0 40 FHAB COC(=O)c1cc(CNC(=O)[C@@H](C)Sc2ccc(C)cc2)ccc1OC 18069454 MJOIVSNSVGSWHQ-CQSZACIVSA-N 373.474 3.587 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)[C@H](C)Oc2ccccc2F)c(OC)c1 19078729 MBSUOADGQWFCBC-KBXCAEBGSA-N 373.424 3.974 0 40 FHAB Cc1nc(C2CCN(C(=O)c3cccs3)CC2)sc1-c1ccncn1 19560746 ZBAYXKPDRVLUED-UHFFFAOYSA-N 370.503 3.990 0 40 FHAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)c1ccc(SC)cc1 20029837 CDNSSEMKOTUMEX-CYBMUJFWSA-N 351.493 3.765 0 40 FHAB CN1C(=O)C[C@H](C(=O)Nc2cccc(Br)c2)[C@H]1c1ccccc1 20427351 VNJSPWKDWNKUKR-DOTOQJQBSA-N 373.250 3.607 0 40 FHAB CC[C@H](C)c1ccccc1OC[C@H](O)CN1CCN(c2ccccc2)CC1 20807197 LQTRZGRKWASDLG-PZJWPPBQSA-N 368.521 3.762 0 40 FHAB CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)CCC2=O)c1 21337150 GEZHNKAPXLPVHJ-UHFFFAOYSA-N 350.418 3.717 0 40 FHAB CCn1c(=O)c(C)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc21 21483923 DADIMIPJIXWIJN-UHFFFAOYSA-N 359.788 3.770 0 40 FHAB CN(C)Cc1ccccc1CNC(=O)c1csc(-c2cccs2)n1 21938451 GNFJWXXCOMSECA-UHFFFAOYSA-N 357.504 3.863 0 40 FHAB O=C(NC[C@H]1COc2ccccc2O1)c1cc(-c2ccc(Cl)cc2)on1 22084118 OPVIMWIEAYLOOR-AWEZNQCLSA-N 370.792 3.565 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)c1 22088106 MLTBZYOWYXKVQH-UHFFFAOYSA-N 363.417 3.631 0 40 FHAB O=C(CN1C(=O)COc2ccccc21)Nc1ccc2c(c1)-c1ccccc1C2 22972769 OGFVOSLHYKRVIN-UHFFFAOYSA-N 370.408 3.622 0 40 FHAB CCn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1ccncc1 23104417 NDZSHURLNPOEHZ-UHFFFAOYSA-N 371.441 3.620 0 40 FHAB COc1ccc(OC[C@@H](O)CN(C)Cc2ccc(C)o2)c(C(C)(C)C)c1 23701624 ILUQASNGZJKJLP-INIZCTEOSA-N 361.482 3.766 0 40 FHAB COc1ccc(NC(=O)COc2cccc(Oc3ccccn3)c2)cc1 24254757 GGQFDKHRKYJTJE-UHFFFAOYSA-N 350.374 3.900 0 40 FHAB CN(C)C(=O)c1ccc(NC(=O)c2csc(-c3ccc(F)cc3)n2)cc1 27225488 AAACBJFZUCRICM-UHFFFAOYSA-N 369.421 3.903 0 40 FHAB Cc1ccc([C@@H](CNC(=O)COc2ccccc2Cl)N2CCCC2)cc1 27793046 NEGFPPNZJJNQAM-LJQANCHMSA-N 372.896 3.981 0 40 FHAB CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)[C@H]2CC=CCC2)CC1 30253930 YAAYVKKWXYJZNA-AWEZNQCLSA-N 367.415 3.752 0 40 FHAB C[C@@H](C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1)n1cnc2ccccc21 30633986 JKWDKVHVQFGQJB-YJBOKZPZSA-N 365.433 3.794 0 40 FHAB Cc1ccccc1O[C@@H](C)C(=O)N1CCN(c2cccc(Cl)c2)CC1 30864393 XBDMUIRKWQOKRA-INIZCTEOSA-N 358.869 3.765 0 40 FHAB COc1ccc(C(C)=O)cc1CC(=O)NCc1cccc(C(F)(F)F)c1 32675384 QVRJJMJUOZEJFM-UHFFFAOYSA-N 365.351 3.776 0 40 FHAB CC(CNC(=O)[C@@H]1COc2ccccc2O1)(c1ccccc1)c1ccccc1 32788987 KNUHRIGAPBMZDZ-QFIPXVFZSA-N 373.452 3.949 0 40 FHAB C[C@@H](CNS(=O)(=O)c1ccc2ccccc2c1)N1CCc2ccccc21 32814999 QLEYCQPORBPAHZ-INIZCTEOSA-N 366.486 3.569 0 40 FHAB CCc1nc(SCC(=O)Nc2ccc3c(c2)OCO3)c2ccccc2n1 35288938 QXXOUCGSVQEZFH-UHFFFAOYSA-N 367.430 3.652 0 40 FHAB COc1cc(OC)cc(C(=O)NCCc2csc(-c3ccccc3)n2)c1 36104308 UMOQBBYGYXWWSY-UHFFFAOYSA-N 368.458 3.800 0 40 FHAB Cc1ccsc1CNC(=O)CCOc1cccc(Br)c1 40071040 CLFBEHREICPWTN-UHFFFAOYSA-N 354.269 3.904 0 40 FHAB COc1ccc(Cl)cc1C[S@](=O)CC(=O)Nc1ccc(C)cc1 40071055 VBHPMXWEBSJKSM-HSZRJFAPSA-N 351.855 3.544 0 40 FHAB CC(C)c1ccc(CS(=O)(=O)[C@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 40105994 ZYEQUZCPLLGRNJ-IXDOHACOSA-N 365.539 3.618 0 40 FHAB O=C(Nc1ccc(F)c(Cl)c1)c1nc(N2CCCC2)ncc1Cl 40119525 AXWDVDXAHOTFSK-UHFFFAOYSA-N 355.200 3.775 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)NCCSCc1ccccc1 43668871 HANFAHRWNKDPGD-UHFFFAOYSA-N 373.478 3.709 0 40 FHAB Cc1cccc(CSCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1 45903769 KDJUAWBOFQXPMZ-OAHLLOKOSA-N 357.475 3.877 0 40 FHAB CCC(=O)Nc1ccc(NC(=O)NC[C@@H](C)Cn2nc(C)cc2C)cc1C 47967647 XHULOPSAVSSPHU-CYBMUJFWSA-N 371.485 3.615 0 40 FHAB CCN(CC)c1ccc(NC(=O)N2CCc3[nH]c4ccccc4c3C2)cn1 48174041 XKVSKICYZIDOGU-UHFFFAOYSA-N 363.465 3.999 0 40 FHAB Cc1n[nH]c(C(=O)N2CCC[C@@H]2CCc2ccccc2)c1Br 54096944 ABVBZABTLFKMFM-CQSZACIVSA-N 362.271 3.718 0 40 FHAB COc1ccc(C[C@H]2CCCN2C(=O)c2ccc(F)c(NC(C)=O)c2)cc1 54097906 RMPOOLRLDYAXMB-QGZVFWFLSA-N 370.424 3.640 0 40 FHAB COc1ccc(-c2cc3c(=O)n(Cc4ccccc4Cl)ccn3n2)cc1 64977396 VGUGOHJMHNYYJN-UHFFFAOYSA-N 365.820 3.873 0 40 FHAB Cc1ccc(C)c(Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)c1 64977510 WETJUPZPGWZTOK-UHFFFAOYSA-N 373.412 3.557 0 40 FHAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1 64983395 BSHJDJUIZWHISQ-KRWDZBQOSA-N 354.450 3.546 0 40 FHAB COc1cc(Cl)cc2c1OCC(=O)N(Cc1ccc(F)cc1F)C2 65184552 DOQVZMIJDQEXHI-UHFFFAOYSA-N 353.752 3.548 0 40 FHAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(NC2CCCCC2)cc1 70007664 JFVPPDAZPRIICY-CQSZACIVSA-N 355.438 3.781 0 40 FHAB CC(C)(C)OC(=O)NCCCCC(=O)c1cccnc1Br 72211649 KGVONZKHUDODFQ-UHFFFAOYSA-N 357.248 3.722 0 40 FHAB COc1ccc(OC)c2c1cc(C(=O)Nc1ccc(C(C)=O)cc1)n2C 72402330 YBRNGJNPHDCXQD-UHFFFAOYSA-N 352.390 3.650 0 40 FHAB C[C@H]1CN(C)c2ccccc2CN1C(=O)Cc1csc(C(C)(C)C)n1 81612489 PVTKYPRIKHNIGM-AWEZNQCLSA-N 357.523 3.850 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)N2CCC(Cc3cccc(F)c3)CC2)c1C 84007881 GRCKPIXVXCOIHX-UHFFFAOYSA-N 372.440 3.652 0 40 FHAB Cc1cc(C(=O)N[C@@H](C)Cc2nc3ccccc3s2)c2c(C)noc2n1 84083187 YJHJGRDWFCRBHP-NSHDSACASA-N 366.446 3.810 0 40 FHAB C[C@@H](NC(=O)[C@H]1CCCN1c1nccs1)C12CC3CC(CC(C3)C1)C2 84633287 IUIPDKNSRZBQBY-BWSDNOOPSA-N 359.539 3.833 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)Nc1cnc(Oc2ccccc2F)nc1 85472028 LOPXEJFJIPWCAB-CYBMUJFWSA-N 353.353 3.814 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCCCC12OCCO2 89448796 DMXRMXIREDDACR-IAQYHMDHSA-N 374.264 3.563 0 40 FHAB Cc1nc2cc(NC(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)ccc2[nH]1 89497072 KULLIHZELLJNAL-UHFFFAOYSA-N 372.469 3.847 0 40 FHAB CC(=O)N1N=C(c2cccc(Cl)c2)C[C@@H]1c1ccc2nccnc2c1 89930419 QZLSNLCYPUZDML-LJQANCHMSA-N 350.809 3.981 0 40 FHAB CCC(=O)N1CSC[C@@H]1C(=O)N1Cc2ccccc2-c2ccccc2C1 95348995 LWIRDZGALHQZIS-LJQANCHMSA-N 366.486 3.507 0 40 FHAB C[C@@H](CO)N1Cc2cccc(NC(=O)/C=C/c3cc4ccccc4o3)c2C1 95458484 AINMEMBQLKBCPL-FEAKQIBJSA-N 362.429 3.781 0 40 FHAB Cn1cc(NC(=O)NCCc2cc(F)cc(F)c2)c(-c2ccccc2)n1 95460772 PVEDGASRGAAGNE-UHFFFAOYSA-N 356.376 3.730 0 40 FHAB COc1ccc2nc(SC[C@H]3CN(c4ccccc4)C(=O)O3)[nH]c2c1 95960309 PJEHWJPYQPWWFC-CQSZACIVSA-N 355.419 3.689 0 40 FHAB C[C@H](NC(=O)CC1(n2cccc2)CCSCC1)c1nc2ccccc2[nH]1 96231730 OTJDHXFEDXXOSU-HNNXBMFYSA-N 368.506 3.854 0 40 FHAB O=C(c1ccccc1O)N1CCC[C@@H]1c1nc(-c2cccc(F)c2)no1 97102696 ZOZUIBPGNZCNGQ-OAHLLOKOSA-N 353.353 3.559 0 40 FHAB COc1cccc(OC)c1CN1[C@@H]2CC[C@@H]1c1cnc(C(C)C)nc1C2 100205195 GNCWJQAACMERPK-RDTXWAMCSA-N 353.466 3.879 0 40 FHAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(Br)cc1Cl 102232556 XCXWNYGUCIDXKV-VLIVSTDHSA-N 370.630 3.564 0 40 FHAB C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 105120822 JDXMEEWFXZRHKT-LLYLOPHFSA-N 369.509 3.555 0 40 FHAB C[C@@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@]4(C)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118914966 UUNZVNLAFCAUHR-ZAPKHSMRSA-N 350.543 3.892 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CCN(c2ccccn2)C1 159760219 GWZDOKJXPCFSDJ-LBPRGKRZSA-N 351.237 3.789 0 40 FHAB CC[C@@H]1CCCCN1CCCNC(=O)C1(c2ccccc2)CCOCC1 222723585 DLKASNGMTPHLJJ-HXUWFJFHSA-N 358.526 3.506 0 40 FHAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCc1ccco1 222779386 IYRGTWWKURPKMO-PDGQHHTCSA-N 366.442 3.737 0 40 FHAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1C 222994884 AIUPAVBECQYSTK-IBGZPJMESA-N 366.505 3.871 0 40 FHAB C[C@@H]1Cc2ccccc2N1CCCNC(=O)Cc1ccc(Cl)cc1F 224681509 OEMKHUDLKBNVNF-CQSZACIVSA-N 360.860 3.979 0 40 FHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1F 225012498 IBJFVRIUPORISA-IRXDYDNUSA-N 370.468 3.700 0 40 FHAB Cc1nccc(C(=O)N2CCC[C@H](Cc3cnc4ccccc4c3)CC2)n1 257325580 WTPPQBDAKYXECG-KRWDZBQOSA-N 360.461 3.818 0 40 FHAB Cc1nc(C(=O)N2CCC(Cc3nc4ccccc4[nH]3)CC2)c(C)s1 329053067 AGHOGYNOZQJJTL-UHFFFAOYSA-N 354.479 3.731 0 40 FHAB COc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OC 409008002 UELDOYOYUSSHNT-AQTBWJFISA-N 369.442 3.983 0 40 FHAB CCCN(C(=O)c1c[nH]c(C(=O)N2CCCC2)c1)[C@@H]1CCc2ccccc21 520151831 LIZYXLXKKFGBPB-HXUWFJFHSA-N 365.477 3.790 0 40 FHAB CSCCc1ccccc1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 601717719 CLDLRMOOEPUAAS-IBGZPJMESA-N 369.534 3.838 0 40 FHAB Cc1cc(O)c(-c2c(-c3ccc(O)cc3)oc3cc(C)oc(=O)c23)c(=O)o1 604403850 AKOLTNBIOJPHMM-UHFFFAOYSA-N 366.325 3.701 0 40 FHAB biogenic CC(=O)N1CCCCCN(C)C(=O)c2ccccc2OC[C@@H]1CC(C)C 643564157 PKKWZMOHEBEHRQ-SFHVURJKSA-N 360.498 3.585 0 40 FHAB C[C@@]1(Cc2cccc3ccccc23)CCCN1C(=O)c1csc(CN)n1 662936923 NIUDMBRBDYRMFZ-NRFANRHFSA-N 365.502 3.992 0 40 FHAB Cc1onc(-c2cccs2)c1C(=O)N1C[C@H](CO)Cc2ccccc21 1641264463 CVZFWMCJODDGMA-CYBMUJFWSA-N 354.431 3.523 0 40 FHAB CNC(=S)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 874702 CZHUDGLYRMFRNU-UHFFFAOYSA-N 357.523 3.784 0 40 FHAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)nc2)cc1 1353044 JEHYKXMVQOBOTF-UHFFFAOYSA-N 353.403 3.656 0 40 FHAB COc1ccc(C(=O)c2ccccc2CN2C(=O)c3ccccc3C2=O)cc1 1704252 NOFGRVKPXZZNRL-UHFFFAOYSA-N 371.392 3.722 0 40 FHAB CC(=O)c1ccccc1OC[C@@H](O)CN1CCC(Cc2ccccc2)CC1 2701387 CYURWTUTRZNZFG-NRFANRHFSA-N 367.489 3.584 0 40 FHAB CCCOc1ccc([C@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)cc1OC 6678828 HNVDZWPEPXJLSX-MEDUHNTESA-N 361.467 3.679 0 40 FHAB O=C(O)/C=C/c1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 12557206 CLVRAYCWJMLSFH-JLHYYAGUSA-N 353.399 3.738 0 40 FHAB Cc1ccc(OCCCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 7640110 MYPCOAHCJQJUNI-UHFFFAOYSA-N 352.434 3.920 0 40 FHAB Cc1ccc(-c2nnc(SCN3C(=O)c4ccccc4C3=O)o2)cc1C 7780403 ZCILVFSDNFECBQ-UHFFFAOYSA-N 365.414 3.699 0 40 FHAB Cc1cc(NC(=O)CNc2ccccc2CN(C)C2CCCCC2)no1 12554419 FYZHGWSNEMIHIP-UHFFFAOYSA-N 356.470 3.798 0 40 FHAB CCC(C)(C)C1CCC(NC(=O)Cn2nc(C)c3ccccc3c2=O)CC1 24841908 ZLXOIVFZEKGQLN-UHFFFAOYSA-N 369.509 3.816 0 40 FHAB CC(=O)c1cc(Cl)ccc1OCC(=O)NCCc1c[nH]c2ccccc12 8519177 IXWDSBGJNLZWEP-UHFFFAOYSA-N 370.836 3.762 0 40 FHAB Cc1ccccc1OCc1nn(CC(=O)NC2CCCCC2)c(=S)o1 8571582 NNVKDTKRXQKOIZ-UHFFFAOYSA-N 361.467 3.542 0 40 FHAB O=C(NCCc1ccc(OC(F)F)cc1)c1cccnc1SC(F)F 8988152 XCHCOVSFUUUGHV-UHFFFAOYSA-N 374.359 3.970 0 40 FHAB CCC(C)(C)NC(=O)c1ccc(NCC(=O)N2CCc3ccccc32)cc1 55879274 IIIOMNSYLAPABJ-UHFFFAOYSA-N 365.477 3.606 0 40 FHAB CC[C@H](C)NC(=O)[C@H]1C[C@@H](C)N(Cc2noc(C3CC3)n2)c2ccccc21 107090508 KKJLRMVPKCBHEB-VBQJREDUSA-N 368.481 3.744 0 40 FHAB C[C@@H](CN1CCCC1=O)NC(=O)N1CCC[C@@H]1c1cccc2ccccc12 56740924 BCGQNDWQGURKQO-OXJNMPFZSA-N 365.477 3.697 0 40 FHAB O=C(Nc1ccccc1F)N1CCN(c2nc3ccccc3s2)CC1 35314984 SDERJOAYUUWFDZ-UHFFFAOYSA-N 356.426 3.790 0 40 FHAB Cn1cnn(CN(CCc2ccccc2)CCc2ccccc2)c1=S 3258193 SNWYBORPBGHKFV-UHFFFAOYSA-N 352.507 3.696 0 40 FHAB CCCCC(=O)NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1 57327686 UEDJNXDKOJISAH-UHFFFAOYSA-N 368.462 3.571 0 40 FHAB O=C(N[C@@H]1CCc2ccccc21)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 57416573 RBAIQYUAUYYABJ-FZKQIMNGSA-N 372.827 3.636 0 40 FHAB COc1ccc(C(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)cc1 2140469 CHNMVDSSSFRLSA-KRWDZBQOSA-N 355.463 3.796 0 40 FHAB biogenic Cc1ccccc1C(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F 72310412 BZERCUOPXDTSKA-AWEZNQCLSA-N 367.367 3.526 0 40 FHAB CC(=O)N[C@@H](CC(=O)N(C)Cc1ccsc1)c1ccc(Cl)cc1 48248789 RBWORQRCARHHTF-INIZCTEOSA-N 350.871 3.627 0 40 FHAB COc1ccc(Cl)cc1C(=O)NCCc1ccc(-n2cccn2)cc1 10820320 QUZCUWMUOFONRX-UHFFFAOYSA-N 355.825 3.507 0 40 FHAB Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 12736216 OMJMUFYRKWEAAD-GOSISDBHSA-N 373.474 3.682 0 40 FHAB CC(C)c1nn(C)c(Cl)c1CN[C@@H]1CCCN(Cc2ccccc2)C1 84622400 NNDNMFIIXKQGNX-QGZVFWFLSA-N 360.933 3.951 0 40 FHAB Cn1cc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CCCC2)c2ccccc21 2321365 UHMAVQXJDDBGGX-HKWRFOASSA-N 373.456 3.572 0 40 FHAB CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnc2ccccn12 3355085 FGRQQXHVTNSHHD-UHFFFAOYSA-N 354.479 3.649 0 40 FHAB O=C(CCS(=O)(=O)C1CCCC1)Nc1ccccc1OC1CCCC1 46666494 IGAFZNFQNAJCTN-UHFFFAOYSA-N 365.495 3.694 0 40 FHAB COc1cc(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)cc(OC)c1OC 12831428 QQTHJLVZUKTWNN-KRWDZBQOSA-N 359.447 3.676 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3ccc(-n4ccnc4C)cc3)n[nH]2)cc1 28239856 JMVOGVFYIOYTKV-UHFFFAOYSA-N 373.416 3.832 0 40 FHAB C[C@H](c1ccccc1)N(C)C(=O)Cn1c(S)nnc1-c1cccs1 12852670 UKNHMJODLACHON-GFCCVEGCSA-N 358.492 3.515 0 40 FHAB COC(=O)C1(NC(=O)Cc2coc3cc4c(cc23)CCC4)CCCCCC1 12945399 SLKBQUKAIWXSAD-UHFFFAOYSA-N 369.461 3.846 0 40 FHAB CCOc1ccc(C(C)=O)cc1COC(=O)c1ccc2nccnc2c1 9267032 XVCLOGNJIALROZ-UHFFFAOYSA-N 350.374 3.588 0 40 FHAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCc2ccccc2)cc1 6190212 LULDXDOUXVAEPB-PGMHBOJBSA-N 374.440 3.718 0 40 FHAB COc1ccc(NC(=O)[C@H](C)Oc2c(F)c(F)cc(F)c2F)cc1OC 9388576 GBMZQCAPLBENEF-QMMMGPOBSA-N 373.302 3.666 0 40 FHAB C[C@H](NC(=O)c1cn(C)nc1-c1cccnc1)C12CC3CC(CC(C3)C1)C2 65495524 ZNYZTXDDWDTUAC-HIGJEIRPSA-N 364.493 3.817 0 40 FHAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1Cc1ccccc1C(F)(F)F 4469027 LGOIEQBAVDXLLJ-IBGZPJMESA-N 374.362 3.989 0 40 FHAB Cc1ccc(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1C 65515280 JHVRSAVEWDVRCK-UHFFFAOYSA-N 358.432 3.976 0 40 FHAB Cc1ccc(NC(=O)CN2CCc3cc4c(cc3[C@@H]2C)OCCCO4)cc1 5354977 PYADRGAWVNDOCF-INIZCTEOSA-N 366.461 3.714 0 40 FHAB NC(=O)[C@H](c1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 14167530 ZCFODGVQGJYKPO-SFHVURJKSA-N 351.475 3.702 0 40 FHAB Cc1nc2ccc(Nc3ccc4nnc(C(F)(F)F)n4n3)cc2s1 14260543 ODVWBURYEDXFFH-UHFFFAOYSA-N 350.329 3.805 0 40 FHAB Cc1n[nH]c(C)c1[C@H]1CCCN1CC(=O)Nc1cccc(C(F)(F)F)c1 95446834 WMXQXXQBETZRGI-OAHLLOKOSA-N 366.387 3.821 0 40 FHAB COc1cccc(C(=O)NC(=S)Nc2nc(-c3ccccc3)cs2)c1 4614911 DESGBXUJOBOUDU-UHFFFAOYSA-N 369.471 3.946 0 40 FHAB CCOC(=O)[C@@H]1CCCN(c2ncnc3sc4c(c23)CC[C@@H](C)C4)C1 5560004 WZEIXFQTJKDHNP-CHWSQXEVSA-N 359.495 3.596 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccccc1OC(F)F 14793139 LPZBTTUMWGPUGD-UHFFFAOYSA-N 350.321 3.507 0 40 FHAB C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1)C(=O)NC1CC1 4937677 QCMOLJDDHXOHBO-ZJUUUORDSA-N 363.508 3.682 0 40 FHAB C[C@@H](C(=O)Nc1cc2[nH]c(O)nc2cc1Br)c1ccccc1 408529401 JMDLMKROYVZKEP-SECBINFHSA-N 360.211 3.773 0 40 FHAB NC(=O)c1cccc(Oc2ccc(NC(=O)c3ccccc3F)cc2)c1 68148214 WKSWFYRRTPIGLQ-UHFFFAOYSA-N 350.349 3.969 0 40 FHAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1 7726730 KCTHPODJMVSITL-UHFFFAOYSA-N 372.490 3.912 0 40 FHAB Cc1nc2cc(NS(=O)(=O)c3ccccc3C(F)(F)F)ccc2o1 8110298 DGHCIPHQYOOKEJ-UHFFFAOYSA-N 356.325 3.956 0 40 FHAB CCC(CC)NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 69437929 OXKVECGPYGZDQG-OAHLLOKOSA-N 357.281 3.903 0 40 FHAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1ccc(F)c(Cl)c1 8404278 ALKYBTPGUJOUFQ-QGZVFWFLSA-N 365.857 3.888 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc(-c3n[nH]c4ccccc34)o2)c1 8685870 KYJWCVZJIZBMGU-UHFFFAOYSA-N 365.418 3.652 0 40 FHAB COc1ccc(Cc2noc(C3(c4ccc(F)cc4)CCOCC3)n2)cc1 69974407 MOXUNUGRYYDSQC-UHFFFAOYSA-N 368.408 3.905 0 40 FHAB CC(C)N(CC(=O)OC(C)(C)C)C(=O)[C@@H]1SCCc2sccc21 95451959 IHRUIMWURUIIBG-OAHLLOKOSA-N 355.525 3.657 0 40 FHAB CCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CC)c1 8845822 BHZHBTBOIMJZJV-FQEVSTJZSA-N 363.417 3.746 0 40 FHAB Cc1occc1-c1nnc(S[C@H]2C[C@H](C)OC2=O)n1Cc1ccccc1 9722123 MVVRBMGUJZZIMK-LRDDRELGSA-N 369.446 3.691 0 40 FHAB C[C@H](NC(=O)N1CCOC2(CCCCC2)C1)c1cccc(-n2cccn2)c1 74939837 HRLBVXCBYMBNJF-KRWDZBQOSA-N 368.481 3.678 0 40 FHAB CC[C@@H](NC(=O)CN1Cc2ccccc2C1)c1nc(C(F)(F)F)cs1 89947981 YSJITYVPBOSQSP-CYBMUJFWSA-N 369.412 3.745 0 40 FHAB Cc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1 113958362 ZHKXHPVTSIGAKR-UHFFFAOYSA-N 372.490 3.563 0 40 FHAB O=C(c1ccccc1)N1CCC[C@]2(CC1)CN(Cc1cccs1)CCO2 306127444 FYSTUBWDCPCJEY-NRFANRHFSA-N 370.518 3.645 0 40 FHAB CC[C@H]1CN(C(=O)c2cn(-c3ccc(F)cc3C)nn2)c2ccccc2O1 503416712 XCQKFHHZVMHTFS-HNNXBMFYSA-N 366.396 3.533 0 40 FHAB CC(C)OCc1ccc(C(=O)N2Cc3cnn(-c4ccccc4)c3C2)cc1 554713044 RPBHZDMLCWTIJT-UHFFFAOYSA-N 361.445 3.953 0 40 FHAB Cc1nnc(N(C)S(=O)(=O)c2ccc(C3CCCCC3)cc2)s1 519676791 OSRXHMDLUHLANM-UHFFFAOYSA-N 351.497 3.719 0 40 FHAB COCc1ccc(C(=O)Nc2cccnc2Oc2ccc3c(c2)OCO3)o1 72401180 QWGYHDIOQPZQIM-UHFFFAOYSA-N 368.345 3.594 0 40 FHAB Cc1cc(C)n(CCCN(C)Cc2c(-c3ccccc3)nn(C)c2C)n1 72391964 RDWBZQNWPBCTIC-UHFFFAOYSA-N 351.498 3.731 0 40 FHAB CCc1cc(CNc2cc(CCn3ncc4ccccc43)nc(C)n2)on1 72391836 SRGMQGAUVJMUBK-UHFFFAOYSA-N 362.437 3.540 0 40 FHAB Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(Cc3ccncc3)C2)n1 72345944 IJWSPPVTEOHGSZ-QGZVFWFLSA-N 363.440 3.640 0 40 FHAB O=C(CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)Nc1ccccc1 210806063 NEXCFAPUZAOQFZ-XNTDXEJSSA-N 356.378 3.501 0 40 FHAB C[C@H](CC(=O)Nc1ccc(Cl)cc1)NCC1(N(C)C)CCCCC1 38709181 PGJAVWOIMLKVJE-OAHLLOKOSA-N 351.922 3.911 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C 223195015 FOUVSSGTUKXNFG-LJQANCHMSA-N 372.896 3.744 0 40 FHAB CCN1CCN(C(=O)c2cccc(OCc3ccccc3Cl)c2)CC1 225777511 LCFZZUYPPSPXNE-UHFFFAOYSA-N 358.869 3.697 0 40 FHAB COC(=O)c1cccc(NC(=S)NCCSc2ccc(C)cc2)c1 225286685 OZEBTOJTRAPHFM-UHFFFAOYSA-N 360.504 3.860 0 40 FHAB CCSc1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)cn1 63611698 JKPZMJZJJGFPHI-UHFFFAOYSA-N 355.463 3.963 0 40 FHAB CCOC(=O)[C@@H]1CC(=O)N(c2cccc(-c3nc4ccccc4s3)c2)C1 45958762 IDDSNOWLLSFHNT-CQSZACIVSA-N 366.442 3.879 0 40 FHAB COc1cccc(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)c1 225832624 QTAKYLTWGUODFL-UHFFFAOYSA-N 374.853 3.885 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H](COc2ccc(Br)cn2)C1 90397342 FGOFVVVQMWCWPY-GFCCVEGCSA-N 371.275 3.870 0 40 FHAB C/C(=C\C(=O)N1CCC[C@@H](c2nnc(S)n2C(C)C)C1)c1ccccc1 584906826 WOBARFVLPBNTSF-OKACTXMXSA-N 370.522 3.957 0 40 FHAB Cc1cnc(C(=O)N2CCC[C@@H](Cc3cncc4ccccc34)CC2)cn1 257237206 HFOOPZDYOVSCFE-QGZVFWFLSA-N 360.461 3.818 0 40 FHAB CC(C)(C)C(=O)N1CC[C@H](c2ccnc3ncc(-c4ccc(F)cc4)n23)C1 257343291 ZSHKIWSBCFZXGC-HNNXBMFYSA-N 366.440 3.897 0 40 FHAB Cc1ccc(CNC(=S)Nc2nc(C)cc(N3CCCC[C@H]3C)n2)cc1 260717709 PEWXZEXUYFEEMA-MRXNPFEDSA-N 369.538 3.959 0 40 FHAB CCO[C@H](c1nc(-c2cn3ccc(Br)cc3n2)no1)C(C)C 624628798 QNMNEVKQTAZHKR-ZDUSSCGKSA-N 365.231 3.880 0 40 FHAB O=C(Nc1cc(C2CC2)ccn1)N[C@@H](c1ccccc1)C1(CO)CCC1 1672006952 PIVLEWCSMJSQGT-IBGZPJMESA-N 351.450 3.984 0 40 FHAB COc1ccc2c(c1)C(C)(C)C[C@@H]2NC[C@@H]1CCO[C@H]1c1nccn1C 658277832 XKYKDNXCNGDCGS-ZOCIIQOWSA-N 355.482 3.519 0 40 FHAB NC(=O)CC1CCN(C(=O)NCCc2ccc(C3CCCCC3)cc2)CC1 661525612 URMQUSMIWVDOCM-UHFFFAOYSA-N 371.525 3.574 0 40 FHAB O=S(=O)(NCCCc1cc2ccccc2o1)c1cccc2cccnc12 390830068 INAPTBOZNFYQBG-UHFFFAOYSA-N 366.442 3.892 0 40 FHAB CC(C)(C)c1ccc(O)c(NC(=O)c2csc(-c3ncccn3)n2)c1 47303971 DOUMCFISVBIDSY-UHFFFAOYSA-N 354.435 3.856 0 40 FHAB CN(CC(=O)Nc1cccc(-c2nccs2)c1)C(=O)c1cccs1 57265352 SJUBEDRWNPQWGW-UHFFFAOYSA-N 357.460 3.582 0 40 FHAB CN(CC(=O)NCc1ccccc1Cl)Cc1nc2ccccc2s1 57331930 MIILVTXLJVVVEM-UHFFFAOYSA-N 359.882 3.698 0 40 FHAB COc1cc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc(OC)c1C 5269295 MXABURPJLOFBEF-HNNXBMFYSA-N 365.433 3.689 0 40 FHAB CCN(CC)CCNc1ncc(-c2cc(C)no2)c(-c2ccoc2C)n1 12251491 UHEOJUIXSLGNJW-UHFFFAOYSA-N 355.442 3.762 0 40 FHAB CCCNC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(C)cc3)nc12 12846171 FREBVBNITOHMQO-UHFFFAOYSA-N 362.355 3.863 0 40 FHAB CCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1 13583042 DJNIGZZCXZZYKU-UHFFFAOYSA-N 372.490 3.594 0 40 FHAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cc2c(s1)-c1ccccc1CC2 15645154 BNWTWILZGASDQC-UHFFFAOYSA-N 373.441 3.742 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)c(Br)c1 16147281 UXKPIOLJPSNMDJ-UHFFFAOYSA-N 362.195 3.837 0 40 FHAB COc1ccccc1-c1csc(NC(=O)CCCn2ccnc2C)n1 19288125 DFEVSCDUELRZSG-UHFFFAOYSA-N 356.451 3.743 0 40 FHAB CC(C)CC(=O)N[C@@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccc(F)cc1 19446616 FNTKAMIZNVGANF-SFHVURJKSA-N 371.456 3.623 0 40 FHAB Cn1ncc(-c2csc(NC(=O)c3cccnc3)n2)c1-c1ccccc1 19697073 MASCXTXYBDNKNC-UHFFFAOYSA-N 361.430 3.858 0 40 FHAB O=C(Nc1cccc(OCc2cscn2)c1)c1[nH]nc2c1CCCC2 101523532 ZTNKPKIIMXWJHE-UHFFFAOYSA-N 354.435 3.576 0 40 FHAB CC(=O)N/C(=C\c1ccccc1)C(=O)OCc1nc2ccccc2s1 4564484 AMSJZIDSQSNADB-WJDWOHSUSA-N 352.415 3.517 0 40 FHAB Cn1nccc1-c1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)o1 1889101119 RBHWDNMQRHPGCK-UHFFFAOYSA-N 350.205 3.917 0 40 FHAB CCc1nnsc1C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 23200102 IUPQEUBBJRJRJI-UHFFFAOYSA-N 367.434 3.997 0 40 FHAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc(Br)cc1 7305782 DIJFSRWKUWNWGP-SNVBAGLBSA-N 358.232 3.628 0 40 FHAB CN(C)C(=O)c1sc2nccnc2c1[C@H]1CCN(C2CCCCC2)C1 2037845503 GOXKCRHMMFDDEV-ZDUSSCGKSA-N 358.511 3.515 0 40 FHAB COc1cccc(C(=O)N2CCN=C2SCc2ccc(F)cc2)c1OC 4119935 CDVWCVUIIJLLFZ-UHFFFAOYSA-N 374.437 3.588 0 40 FHAB CCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc(C)c(C)c3)cc21 17316251 JGMWVUZAKIQUAC-UHFFFAOYSA-N 372.490 3.658 0 40 FHAB O=C(N[C@@H](c1cccnc1)C1CCOCC1)NC12CC3CC(CC(C3)C1)C2 225623466 HQJCDNMNLUZVLI-ILYDUKKLSA-N 369.509 3.817 0 40 FHAB CCOc1ccccc1-c1noc(-c2nnn(-c3ccc(F)cc3)c2C)n1 49001899 YTVQMNXGGSSLHI-UHFFFAOYSA-N 365.368 3.831 0 40 FHAB N=C(N)c1c(CSc2ccc(Cl)cc2)nn(-c2ccccc2)c1O 19939927 DKXHXHAOAQJAJG-UHFFFAOYSA-N 358.854 3.808 0 40 FHAB O[C@H](c1ccccc1)C1CCN(Cc2nc(-c3ccsc3)no2)CC1 40050244 XXSMHPRNYLTZGW-GOSISDBHSA-N 355.463 3.744 0 40 FHAB O=C(CN(Cc1ccc(C(F)(F)F)cc1)C1CC1)Nc1nccs1 40063133 XVWVZZBTCVCFIS-UHFFFAOYSA-N 355.385 3.765 0 40 FHAB C[C@H]1CN(c2ccc(NC(=O)NCCC3=CCCCC3)cn2)C[C@H](C)O1 40121082 ONAABSGUUNYGBX-HOTGVXAUSA-N 358.486 3.707 0 40 FHAB CCC(C)(C)C1CCC(NC(=O)CNC(=O)NCc2ccccc2)CC1 31172010 RUACBVJEYDTNRP-UHFFFAOYSA-N 359.514 3.597 0 40 FHAB Cc1ccc(NC(=O)c2ccc(Cl)cc2I)nc1 32488976 OWSCIXNMIPNQTD-UHFFFAOYSA-N 372.593 3.900 0 40 FHAB O=C(N[C@@H](c1ccccc1)C1CC1)[C@@H]1CCCN(C(=O)c2cccs2)C1 32760251 IASUYYHBLWGVKN-MJGOQNOKSA-N 368.502 3.868 0 40 FHAB COc1ccc(NC(=O)c2ccccc2OC)cc1OCc1ccncc1 32832267 GTCPZRGSWQUIRP-UHFFFAOYSA-N 364.401 3.930 0 40 FHAB COc1ccc2c(c1)CCCN2C(=O)c1ccc(OCC(F)(F)F)nc1 22311303 AYEVJYFFAYEPFY-UHFFFAOYSA-N 366.339 3.624 0 40 FHAB COc1ccc(-c2nnc(N(C)C(=O)c3cccc(F)c3)s2)cc1OC 1356548 ROIXRPDAGKKWOH-UHFFFAOYSA-N 373.409 3.638 0 40 FHAB Cc1ccc(N2C(=O)[C@@H](C)S[C@@]23C(=O)Nc2ccc(Cl)cc23)cc1 1609974 YSSLFHRIMYVOBL-ZMZPIMSZSA-N 358.850 3.922 0 40 FHAB CCc1ccc(NC(=O)COC(=O)c2ccc(Br)cc2)cc1 1987236 WOMNRCSTKQNFRV-UHFFFAOYSA-N 362.223 3.807 0 40 FHAB O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)cc1)C2(c1ccccc1)c1ccccc1 2251030 HHVWJCYWHZDFDC-WOJBJXKFSA-N 357.384 3.931 0 40 FHAB COC(=O)c1c(NC(=O)CCOc2cccc(C)c2)sc2c1CCC2 2259367 ZEIANHXZZHELTK-UHFFFAOYSA-N 359.447 3.739 0 40 FHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)Cc1ccc(Cl)cc1 3324304 BIVDMKXBQCZONC-AWEZNQCLSA-N 360.841 3.613 0 40 FHAB Cc1csc(N(C(=O)[C@@H]2COc3ccccc3O2)c2ccccc2)n1 3554698 DADZRZRIXOTNOB-KRWDZBQOSA-N 352.415 3.956 0 40 FHAB COc1ccc(NC(=O)COC(=O)c2cccc(Cl)c2)cc1Cl 3620080 MATWHSVSJQHMLJ-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB CCCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCCC(C)C 3899916 WMCZCBURMMAJLY-SFHVURJKSA-N 360.454 3.693 0 40 FHAB C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(Cl)s2)o1 4101539 VSISXXIZZNUZKP-SECBINFHSA-N 357.888 3.945 0 40 FHAB O=C1c2ccccc2C(=O)N1CN(C(=O)c1cccs1)c1ccccc1 4554228 GXVSNUNVVXUMAJ-UHFFFAOYSA-N 362.410 3.649 0 40 FHAB Cc1cc(C)n2c(SCC(=O)c3cc(C)n(C(C)C)c3C)nnc2n1 6325938 UUQRHAFFLCOFDA-UHFFFAOYSA-N 357.483 3.715 0 40 FHAB CCCn1nc(C(=O)Nc2ccc(F)c(Cl)c2)c2ccccc2c1=O 6431987 QRBAONSIJIOXQU-UHFFFAOYSA-N 359.788 3.851 0 40 FHAB O=C(CSc1cccc(C(F)(F)F)c1)NC(=O)Cc1ccccc1 6509349 IUOSYSIQBJUBQE-UHFFFAOYSA-N 353.365 3.683 0 40 FHAB CCCN1C(=O)S/C(=C/c2cc(Br)ccc2OC)C1=O 6656076 UCLJHYQRQGCADJ-XYOKQWHBSA-N 356.241 3.904 0 40 FHAB CNc1oc(/C=C/c2ccc(OC)cc2)nc1S(=O)(=O)c1ccccc1 6662484 RPIOZJVURGLHAO-JLHYYAGUSA-N 370.430 3.728 0 40 FHAB CSc1cccc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c1 6886928 CBRKUJATQYGRDI-UHFFFAOYSA-N 353.447 3.952 0 40 FHAB CCC[C@@H](C)NC(=O)NCc1cccc(CNC(=O)N[C@H](C)CCC)c1 6937082 FLCGPBALNQMGCT-HZPDHXFCSA-N 362.518 3.662 0 40 FHAB C[C@@H](Sc1ccc(F)cc1F)C(=O)c1ccc(NS(C)(=O)=O)cc1 6937917 NSGAXJGLEJBNAX-SNVBAGLBSA-N 371.430 3.700 0 40 FHAB CCSc1nnc(NC(=O)/C=C/c2ccc(OC(F)F)cc2)s1 6948201 YBAQFEAPXCMSTR-VMPITWQZSA-N 357.407 3.903 0 40 FHAB O=C(Nc1nc(-c2cccnc2)cs1)c1cncc(Br)c1 6969264 BMCZAQOIBULTAB-UHFFFAOYSA-N 361.224 3.615 0 40 FHAB Cc1cc2oc(=O)cc(CN3C(=O)CC4(CCCCC4)C3=O)c2cc1C 7046904 SHPXWYXNKDKJNV-UHFFFAOYSA-N 353.418 3.619 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(NCc2ccco2)s1 7161776 IKPGZSYRDJFKDX-YPMHNXCESA-N 366.512 3.530 0 40 FHAB O=C(OCc1nc(-c2ccsc2)no1)c1ccc(-n2cccc2)cc1 7190529 HYBLUJZCKZTSPH-UHFFFAOYSA-N 351.387 3.946 0 40 FHAB Cc1cccc(N2CCN(C(=O)c3cc(Cl)c4c(c3)OCO4)CC2)c1C 7283723 IANUIUVGZQWBDS-UHFFFAOYSA-N 372.852 3.648 0 40 FHAB O=C(Cc1cccc(C(F)(F)F)c1)NC[C@@H](c1ccco1)N1CCCC1 7597293 CUXXXPQKMBWOCB-INIZCTEOSA-N 366.383 3.794 0 40 FHAB CC[C@H]1CCCCN1C(=O)CSc1nnc(-c2cccnc2)n1C1CC1 7797865 INLRPEHNLUYUML-HNNXBMFYSA-N 371.510 3.558 0 40 FHAB CCCN1C(=O)c2ccccc2N[C@@H]1c1cc(OC)c(OC)cc1OC 7886365 BYQVNISDIWDESC-IBGZPJMESA-N 356.422 3.689 0 40 FHAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1ccc(F)c(F)c1 8077456 FZJJQRHAPDSUOD-UHFFFAOYSA-N 352.724 3.555 0 40 FHAB O=C(Cc1ccc(F)cc1)Nc1cccc(-c2nnc3n2CCCCC3)c1 8312687 BDDVQZBRHISROZ-UHFFFAOYSA-N 364.424 3.992 0 40 FHAB O=C(CSc1ccc(Br)cc1)Nc1ccccc1C(=O)O 8391326 CDLIBRQUNAUJEQ-UHFFFAOYSA-N 366.236 3.878 0 40 FHAB Cc1cc(C)cc(NC(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)c1 9067389 WUCFANOJODSUSP-UHFFFAOYSA-N 365.477 3.593 0 40 FHAB Fc1ccc(F)c(-c2nnc3sc(-c4ccc5c(c4)OCO5)nn23)c1 9576516 MWKBWIMOIJYJOO-UHFFFAOYSA-N 358.329 3.527 0 40 FHAB Cc1ccc(CNC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 9711054 QFTCVNRXHXQZLR-FQEVSTJZSA-N 354.450 3.963 0 40 FHAB CCC(CC)NC(=O)CSc1nnc(NCCc2cccs2)s1 9952593 QJKVEVPAYCFYGR-UHFFFAOYSA-N 370.569 3.651 0 40 FHAB COc1ccc(OC)c(NC(=O)c2ccc(F)cc2Br)c1 9954931 XVXKJIUTVJIROY-UHFFFAOYSA-N 354.175 3.858 0 40 FHAB CCc1nc2ccccc2c(C(=O)O[C@H](C)C(=O)Nc2cc(C)on2)c1C 10028251 SSNSIFLKHWOZKD-CYBMUJFWSA-N 367.405 3.586 0 40 FHAB COc1ccc(O[C@@H](C)C(=O)NCCSCc2ccc(C)cc2)cc1 11708506 OUDOIDSNJWGEOJ-INIZCTEOSA-N 359.491 3.821 0 40 FHAB Cc1ccccc1NC(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1 11856820 GPTAWVCGLGATRI-UHFFFAOYSA-N 353.349 3.919 0 40 FHAB O=C(Nc1nc(-c2cccs2)ns1)c1cc2ccccc2oc1=O 11914748 WLRJTESIQOZBHG-UHFFFAOYSA-N 355.400 3.625 0 40 FHAB O=c1oc2ccccc2n1[C@@H]1CCCN(Cc2ccc3ccccc3n2)C1 12089299 LYZBRTARHFJLID-GOSISDBHSA-N 359.429 3.980 0 40 FHAB Cc1c(C(=O)NCCCOCc2ccccc2)cnn1-c1ccccc1F 12910630 UMMSRIOMEJGRGB-UHFFFAOYSA-N 367.424 3.657 0 40 FHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)NCc1cccc(Cl)c1 12934436 PZDXGKRCENJAMM-UHFFFAOYSA-N 368.868 3.926 0 40 FHAB Cc1cnc(NC(=O)C2CCC(CNC(=O)OC(C)(C)C)CC2)s1 13692927 WOQDUNHIPIMVLF-UHFFFAOYSA-N 353.488 3.721 0 40 FHAB CCc1ccccc1[C@H](CC(=O)OC)N[C@H]1C(C)=C(C)C(=O)N1C(C)(C)C 13893026 BPEQGMXSCPTRIG-AZUAARDMSA-N 372.509 3.746 0 40 FHAB Cc1cccc(C)c1NC(=O)CCCSc1nnnn1C1CCCC1 14189277 LQHWEHIHRGPHBY-UHFFFAOYSA-N 359.499 3.916 0 40 FHAB Cc1csc(N(C(=O)[C@H]2Cc3ccccc3C(=O)O2)c2ccccc2)n1 14199832 HOYRUUSRRRONKP-QGZVFWFLSA-N 364.426 3.898 0 40 FHAB Cc1nn2c(nc1=O)SC[C@H](Sc1ccccc1)[C@@H]2c1ccccc1 16779252 YVFSJUHCEQPPGQ-IRXDYDNUSA-N 367.499 3.803 0 40 FHAB O=S(=O)(NCc1ccncc1)c1ccc(Cl)c(Cl)c1Cl 16780668 HRGBPKMDSRZSJL-UHFFFAOYSA-N 351.642 3.520 0 40 FHAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(Br)cn2)c1 17074854 ZRQJPXKAXVWTJM-UHFFFAOYSA-N 364.268 3.588 0 40 FHAB COc1ccccc1N1CCN(C(=O)N[C@H](C)CCc2ccccc2)CC1 17116026 KGCJGZPERKAFSP-GOSISDBHSA-N 367.493 3.548 0 40 FHAB C/C(=C\c1ccccc1)CN1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 19014406 XQCFENRZTPATLO-ZPBCLNFZSA-N 362.521 3.747 0 40 FHAB CCN(C(=O)Cc1c[nH]c2ccccc12)[C@@H]1CN(C)C2(CCCCC2)C1 19695725 YTWLLOURGVRFHS-SFHVURJKSA-N 353.510 3.966 0 40 FHAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CCCC1 22534827 MEFCIFLHOBDBMN-INIZCTEOSA-N 366.461 3.891 0 40 FHAB Cc1cnc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cn1 22700115 DDTSSVAYRXSSGM-UHFFFAOYSA-N 372.222 3.738 0 40 FHAB Cc1ccc(S(=O)(=O)NC2(c3noc(C)n3)CCCCCC2)c(C)c1 24689087 YEECVSXEGJSDBC-UHFFFAOYSA-N 363.483 3.523 0 40 FHAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccccc1Cl)CC3 25452161 YCULCNUPCWHDAS-UHFFFAOYSA-N 368.820 3.806 0 40 FHAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cccc(C(F)(F)F)c1 28727194 ZAGGAWZTXSFMAY-GFCCVEGCSA-N 372.412 3.546 0 40 FHAB O=C(Cc1c(F)cccc1Cl)Nc1cccc(CN2CCCC2=O)c1 29286770 WJMOVIUQYNHPOY-UHFFFAOYSA-N 360.816 3.783 0 40 FHAB CCc1ccccc1O[C@H](C)C(=O)NCc1ccccc1-n1ccnc1C 30849395 SRBAWUSWSMKJCB-MRXNPFEDSA-N 363.461 3.827 0 40 FHAB COc1ccc(-c2csc(CCNC(=O)COc3ccccc3)n2)cc1 31848832 MERLBVMDTDFTFN-UHFFFAOYSA-N 368.458 3.556 0 40 FHAB O=C(NC1CCCCC1)c1ccc2c(=O)n(-c3ccccc3F)cnc2c1 32096976 DOTLCPCJFKMRPU-UHFFFAOYSA-N 365.408 3.587 0 40 FHAB CCn1cc(C(=O)NCCc2ccccc2)c(=O)c2cc(Cl)ccc21 32607741 WBYHGSUBRISDTQ-UHFFFAOYSA-N 354.837 3.647 0 40 FHAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(C)cc3)C2=O)o1 33621871 BNFOYEUDZMRHLA-OQLLNIDSSA-N 357.387 3.611 0 40 FHAB Cc1c(-c2nn3c(-c4cc(Cl)ccc4Cl)nnc3s2)cnn1C 36366668 OYSNUHWTTCDWQH-UHFFFAOYSA-N 365.249 3.869 0 40 FHAB CC(C)(C)c1ccccc1NC(=O)COc1ccc2c(c1)CCC(=O)N2 36732741 LNNKYSDNOYXQOS-UHFFFAOYSA-N 352.434 3.886 0 40 FHAB O=C(COc1cccc(Br)c1)NCCc1c[nH]c2ccccc12 40159389 SNLIAOLDAFTDFQ-UHFFFAOYSA-N 373.250 3.668 0 40 FHAB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@H](C)O3)cc1 41014458 IHQGCUDUARQWOJ-AWEZNQCLSA-N 368.433 3.862 0 40 FHAB Cc1cc(OCC(=O)Nc2ccc(C)c(C)c2)nc(N2CCC[C@H](C)C2)n1 44168721 PFSHJEYUOOOXCR-AWEZNQCLSA-N 368.481 3.656 0 40 FHAB O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)N1CCCCCC1 44356496 MTAVBYRYGPYSDZ-UHFFFAOYSA-N 350.484 3.811 0 40 FHAB O=C1CN(C(=O)c2cc(-c3cccc4ccccc34)[nH]n2)c2ccccc2N1 44838388 UANJNAIZHWFAEN-UHFFFAOYSA-N 368.396 3.829 0 40 FHAB COc1cccc(CCCNC(=O)c2ccc(CN3CCCC3)cc2)c1 44906906 ADGBZXJWBOYKAW-UHFFFAOYSA-N 352.478 3.654 0 40 FHAB C[C@H](SCc1ccccc1)C(=O)NCc1nc(-c2ccccc2)no1 51260873 HNOCYYUQNBMXON-AWEZNQCLSA-N 353.447 3.675 0 40 FHAB Cc1c(C(=O)N2CCC(C(=O)N3CCCC3)CC2)sc2ccc(F)cc12 53027776 CLVLNMYEGPEVFP-UHFFFAOYSA-N 374.481 3.823 0 40 FHAB COc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc(OC)c1C 53357162 PHIASSCLBNHAHZ-KRWDZBQOSA-N 365.433 3.866 0 40 FHAB CCc1nc(CN2CCN(C(=O)Nc3ccccc3Cl)CC2)cs1 56518899 ZNCXTZNNJQDKJM-UHFFFAOYSA-N 364.902 3.709 0 40 FHAB O=C(Cc1csc(-c2ncccn2)n1)N1CCCSc2ccccc21 58357679 GCFLXHOKJDEYTF-UHFFFAOYSA-N 368.487 3.672 0 40 FHAB Cc1ccc(-n2cc(C(=O)NCc3ccccc3C(F)(F)F)nn2)cc1C 67261903 JNNPJMWWLZRXET-UHFFFAOYSA-N 374.366 3.833 0 40 FHAB COC(=O)c1ccc(CNC(=O)CCc2ccc(-c3ccccc3)o2)cc1 68768005 KURVEWSTBGPXRT-UHFFFAOYSA-N 363.413 3.982 0 40 FHAB C[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)c2ccccc21 72098111 WCSJIRVXQRJBLK-IUODEOHRSA-N 370.371 3.690 0 40 FHAB COc1ccc(CCC(=O)NCCN2CCC(c3cccs3)CC2)cc1 77103996 NFJRLVQVZYIBLF-UHFFFAOYSA-N 372.534 3.685 0 40 FHAB CCc1noc(CN(C)C(=O)c2ccc3noc(-c4ccccc4)c3c2)n1 83830499 KOLPYMJFCHTPGG-UHFFFAOYSA-N 362.389 3.712 0 40 FHAB O=C(CCc1ncc(-c2ccccc2)o1)NC[C@@H]1CCCN2CCCC[C@H]12 85875861 ILVGJMCPDZFZOX-RBUKOAKNSA-N 367.493 3.655 0 40 FHAB biogenic C[C@@H]1[C@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 86255947 KVCDRFYMLTZBJM-ZIAGYGMSSA-N 351.402 3.731 0 40 FHAB OC[C@H]1CN(Cc2ccc(-c3cccc(Cl)c3)o2)C[C@H]1CN1CCCC1 91364470 WRLYSZKIKYTAMJ-QZTJIDSGSA-N 374.912 3.736 0 40 FHAB O=C(O)C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccco1)c1ccc(Cl)c(F)c1 95464063 HHLYIOPEBALTDZ-WDMOLILDSA-N 351.761 3.508 0 40 FHAB COc1ccccc1/C=C/C(=O)NCc1nc(-c2ccccc2Cl)no1 95482221 OQVYQIBCYDWGSS-ZHACJKMWSA-N 369.808 3.728 0 40 FHAB CCCc1nc(C(=O)N(C)c2cccc(C)n2)nn1-c1ccccc1Cl 95960445 LOYMWSZGBATCNB-UHFFFAOYSA-N 369.856 3.853 0 40 FHAB CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)[C@@H](C)c1c(C)noc1C 95994197 DWFWICOOKJVQKP-ZMNCSTGQSA-N 350.846 3.941 0 40 FHAB COc1cccc(N2C(=O)C[C@H](Nc3ccc(Cl)c(Cl)c3)C2=O)c1 101275948 BURGTDZJYJZZFM-HNNXBMFYSA-N 365.216 3.746 0 40 FHAB CCCC[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2ON1c1ccccc1 102732706 PRSOMMYGWKCUOK-GUDVDZBRSA-N 350.418 3.555 0 40 FHAB Nc1ccc(S[C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1 103715945 SUJFNCACEIXCFT-AWEZNQCLSA-N 366.364 3.712 0 40 FHAB COc1cc(/C=C2/SC(=N)NC2=O)ccc1OCc1ccc(F)cc1 113831632 VESRCYGOHSWZPH-CXUHLZMHSA-N 358.394 3.552 0 40 FHAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)[C@H]1COc2ccccc2O1 134265309 GASXSILRXAVEOL-CQSZACIVSA-N 373.821 3.637 0 40 FHAB O=C(N[C@@H]1CCN(c2ccccn2)C1)C1(c2ccc(Cl)cc2)CCCC1 152483321 LFVADGKSLFZGQN-GOSISDBHSA-N 369.896 3.942 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)NCC1(Sc2ccccc2)CCOCC1 211071170 QNRVTDBVJYCHLO-KRWDZBQOSA-N 371.502 3.912 0 40 FHAB Cc1ccc(OCCNC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 219861303 OELPAHDQMOLLJL-UHFFFAOYSA-N 352.478 3.715 0 40 FHAB CN(c1ccc(C(=O)NC2CCCCCCC2)c(Cl)c1)S(C)(=O)=O 222517703 KNGMZIPIRBPPRN-UHFFFAOYSA-N 372.918 3.579 0 40 FHAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCc1ccc(OC)c(OC)c1 222948727 CCTOMNFWVDGAIE-GOSISDBHSA-N 371.477 3.837 0 40 FHAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N1CCN(Cc2ccccc2)CC1 222950632 VODMYTXPRVQDQW-OAQYLSRUSA-N 366.505 3.805 0 40 FHAB CCOc1ccccc1CNC(=S)Nc1cccc(C(=O)OC)c1C 225442393 YCMAHGWWFUXOEU-UHFFFAOYSA-N 358.463 3.667 0 40 FHAB CN(C[C@H](O)COCCOC12CC3CC(CC(C3)C1)C2)C1CCCCC1 226072377 CMDQADNQFUBQEP-OTNIWXAGSA-N 365.558 3.614 0 40 FHAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc3nc(NN)sc3c2)cc1 226312652 RNLUUBKKIAJBJZ-UHFFFAOYSA-N 370.478 3.897 0 40 FHAB CCCC[C@]12Oc3c(OC)ccc4c3[C@@]13CCN(C)[C@@H](C4)C3=CC=C2OC 253505413 VIVDQLUAHPGFOS-PDIWNELESA-N 367.489 3.985 0 40 FHAB biogenic,in-vitro O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccc(F)cc3)N2Cc2cccnc2)N1 257238407 HKWGFDDSHRGUOO-AABGKKOBSA-N 353.441 3.595 0 40 FHAB CNc1cc([C@H]2CCCN2C(=O)C(C)(C)c2ccccc2F)nc(C)n1 257282287 OTDQAACKDXIQHG-QGZVFWFLSA-N 356.445 3.607 0 40 FHAB Oc1nc(=NC[C@H](c2ccccc2Cl)N2CCCC2)[nH]c2ccccc12 520989386 BIFZPCWKKFUIPF-GOSISDBHSA-N 368.868 3.660 0 40 FHAB O=C(N[C@@H]1CCCc2c[nH]nc21)c1ccc(N2CCc3ccccc3C2)cc1 532273652 LDZDKTJGIPZSAU-OAQYLSRUSA-N 372.472 3.780 0 40 FHAB Cc1cc(=NC(=O)c2cccc(Br)c2)[nH]n1-c1cccc(F)c1 538433591 MSZLLTBBCROQFF-UHFFFAOYSA-N 374.213 3.757 0 40 FHAB COc1cccc(-c2ccc(C(=O)N3CCC[C@@H](C(=O)O)C3)c(C)c2)c1 573139017 YJUIVUIBHAVQJP-QGZVFWFLSA-N 353.418 3.607 0 40 FHAB Clc1ccc(CN2CCN(c3cc4c(nn3)CCC4)CC2)c(Cl)c1 575621592 ZCTSJCLKZXVARY-UHFFFAOYSA-N 363.292 3.594 0 40 FHAB Cc1cc(CN[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)ccc1Oc1cccnc1 585081895 WRTNDUANOPBSGV-WIYYLYMNSA-N 367.493 3.965 0 40 FHAB O=C(NC[C@@H](c1ccco1)c1cccs1)c1ccc2nsnc2c1 585146749 KKMDKNWQQSLIDL-LBPRGKRZSA-N 355.444 3.908 0 40 FHAB Oc1cccc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1Cl 645156675 YSVIBCGQCAWFDS-CJNGLKHVSA-N 359.775 3.670 0 40 FHAB C[C@H](NC(=O)NC[C@@H]1CCOC1(C)C)c1ccc(OC(F)(F)F)cc1 660320396 DMEXYBDQWSSBDU-AAEUAGOBSA-N 360.376 3.761 0 40 FHAB Cc1ccc(NC(=O)N(C)Cc2cn(C)nn2)cc1OCC1CCCCC1 666167735 DAZBQOXXTASMLJ-UHFFFAOYSA-N 371.485 3.747 0 40 FHAB Cc1cccc(C(=O)N[C@@]2(C(=O)O)CCc3ccccc32)c1CC(C)C 685939944 AJDBNVHUAMMPNJ-QFIPXVFZSA-N 351.446 3.850 0 40 FHAB CC(C)N(CC(=O)Nc1ccc(F)cc1)Cc1cnc(O)c2ccccc12 1559645940 YGEVFUUOBWYACR-UHFFFAOYSA-N 367.424 3.929 0 40 FHAB O=C(Cc1ccccc1Cl)NC[C@H](O)c1ccc(-c2ccco2)cc1 1775966769 YCYNMSOMZBROBF-SFHVURJKSA-N 355.821 3.992 0 40 FHAB Cc1cc(OC[C@H]2CCCN(C(=O)Cc3ccc(Cl)cc3)C2)ccn1 1776000603 ALGLMOKKLKHBPU-KRWDZBQOSA-N 358.869 3.904 0 40 FHAB CC1(C)C[C@]2(C[C@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 894202 KKICBWUQDFVRIQ-MOPGFXCFSA-N 372.446 3.761 0 40 FHAB CCC[C@@H]1CO[C@@](Cn2c[n+](CC)cn2)(c2ccc(Cl)cc2Cl)O1 896418 ZMIUUEUCMUEWIG-RHSMWYFYSA-N 371.288 3.566 0 40 FHAB Cc1nc(-c2ccncc2)sc1-c1nn2c(C(F)(F)F)nnc2s1 61719636 HSNDYUGRULXZBA-UHFFFAOYSA-N 368.369 3.699 0 40 FHAB O=C1Nc2ccccc2[C@]12Oc1ccccc1[C@@H]1CC(c3ccco3)=NN12 903139 BEZSJOPYXMZJRL-UWJYYQICSA-N 357.369 3.628 0 40 FHAB COc1ccc(C(=O)Nc2cc3c(C)cc(=O)oc3cc2C)cc1OC 917761 YYVMCIQHYSPKCN-UHFFFAOYSA-N 353.374 3.679 0 40 FHAB Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)NCc2ccccc2Cl)cc1 1347019 GLQJSZOILBDZHG-SFHVURJKSA-N 371.868 3.961 0 40 FHAB CCOC(=O)C=C(c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 1704085 QYMOELWCJFCHOU-UHFFFAOYSA-N 372.417 3.716 0 40 FHAB O=S(=O)(c1cccnc1)N1CCc2sccc2[C@@H]1c1cccs1 79896953 DWLQGOLBACYWQC-MRXNPFEDSA-N 362.501 3.541 0 40 FHAB Cc1ccc(-n2c(=O)c3c4c(sc3n3c(C)nnc23)CCCC4)cc1 985030 KIZAFEMXEUGTAC-UHFFFAOYSA-N 350.447 3.591 0 40 FHAB COC(=O)C[C@H]1c2ccc3cc(OC)ccc3c2CC[C@]1(C)C(=O)OC 4721436 SVKRYUBDXQSLOP-RXVVDRJESA-N 356.418 3.621 0 40 FHAB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2ccc(CC)cc2)C1=O 6654537 CDQXWDIXNTWFPD-LGMDPLHJSA-N 374.506 3.934 0 40 FHAB COc1ccc(CN(C)C[C@H](O)CO[C@@H]2CCCc3ccccc32)cc1 6940528 GMYMEZZHOLIHEL-SIKLNZKXSA-N 355.478 3.582 0 40 FHAB COc1ccc(C(=O)CN(C2=NCCCC2)c2ccccc2OC)cc1 7275444 SUBSKZRMCSOBOE-UHFFFAOYSA-N 352.434 3.976 0 40 FHAB CCN(CC)C(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 7408350 UFGQDFSQYMQVMI-CQSZACIVSA-N 358.413 3.714 0 40 FHAB C[C@H](OC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1nnc(-c2cccs2)o1 7780463 NOQQLNMFBUHXIR-ACJTYDJDSA-N 360.435 3.798 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCc1cn2cccc(C)c2n1 12520136 IAGHIDLMHGUIPT-UHFFFAOYSA-N 374.444 3.861 0 40 FHAB C[C@@H](c1nc2ccccc2s1)N(C)C[C@@H](O)COc1ccc(F)cc1 24954322 SMTLLCZTTANBQR-DZGCQCFKSA-N 360.454 3.868 0 40 FHAB Cc1ccc(C)c(NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 10368907 YVHFMFOZTMXVHR-QGZVFWFLSA-N 374.506 3.713 0 40 FHAB NC(=O)c1cc(-c2csc(-c3ccc(Br)o3)n2)ccc1O 25043910 OGGJUWYMHNALIT-UHFFFAOYSA-N 365.208 3.637 0 40 FHAB Cc1occc1C(=O)Nc1cc(N[C@@H](C)C(=O)NC(C)(C)C)ccc1F 56154844 OFZHGYUFUHFIEB-NSHDSACASA-N 361.417 3.695 0 40 FHAB CCNC(=O)CCCC(=O)NCc1ccccc1Sc1ccccc1 107356049 ZPDXGBXNDPDZEY-UHFFFAOYSA-N 356.491 3.760 0 40 FHAB O=C(CCc1ccc2c(c1)OCCO2)Nc1nc(-c2cccnc2)cs1 12515812 GQRDCQCONPPHHW-UHFFFAOYSA-N 367.430 3.548 0 40 FHAB Cc1ccc(CN(C)C(=O)NCc2ccc(Cn3cccn3)cc2)c(C)c1 26393213 UVUJNEANNNPRIW-UHFFFAOYSA-N 362.477 3.890 0 40 FHAB CCc1ccc(/C=c2/sc3nnc(-c4ccc(Cl)cc4)n3c2=O)cc1 9189116 PVCXIPKUWGGFTE-LFIBNONCSA-N 367.861 3.582 0 40 FHAB Cc1cc(C)c(N(CC(=O)Nc2c(C)cccc2C)S(C)(=O)=O)c(C)c1 22379441 KNLKFAOSLDGCCM-UHFFFAOYSA-N 374.506 3.633 0 40 FHAB CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(Cl)c1 20110841 YONVIZHAAYINPK-UHFFFAOYSA-N 371.817 3.598 0 40 FHAB COC(=O)c1ccc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1 12613694 PHJXSFGOWKWCIG-UHFFFAOYSA-N 366.442 3.835 0 40 FHAB CCOC(=O)C1=C(C)Nc2nc(SC)nn2[C@H]1c1ccc(Cl)cc1 10272207 IKPNAIVSKQELDM-ZDUSSCGKSA-N 364.858 3.505 0 40 FHAB Cc1ccc([C@H](CNC(=O)COc2c(C)cccc2C)N2CCCC2)cc1 27749461 BUCWASZDXZOMKJ-NRFANRHFSA-N 366.505 3.944 0 40 FHAB Cc1ccccc1C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12749734 QZDSKAGDPAKENP-UHFFFAOYSA-N 365.429 3.501 0 40 FHAB O=C(O)c1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)ccc1F 23716873 OWAKCWLNZWGRDQ-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB CC(C)c1ncc(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)cn1 100763539 CDVOXBFGNDDVPJ-RTBURBONSA-N 355.457 3.754 0 40 FHAB C[C@]12COc3ccc(Br)cc3[C@@H]1c1sc(=O)[nH]c1SC2 2483266 NCLGKAGYNWJNJI-QMTHXVAHSA-N 370.293 3.835 0 40 FHAB COc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc(OC)c1O 50547894 DCAIENJZMJGDJO-DHDCSXOGSA-N 372.402 3.504 0 40 FHAB CCN1CCN(c2ccc(NC(=O)c3cccc4cccnc34)cc2C)CC1 11323983 CQTUIBYVKJASHV-UHFFFAOYSA-N 374.488 3.937 0 40 FHAB Cc1ccc(C)c(NC(=O)c2cccc(CN3C(=O)CSC3=O)c2)c1 29459772 DPOQCZXWSITHDY-UHFFFAOYSA-N 354.431 3.751 0 40 FHAB Cc1cc(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c2c(C)noc2n1 11762601 QFSFDUVEJBMSBF-UHFFFAOYSA-N 364.405 3.527 0 40 FHAB Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1Cc1ccccc1 3342103 LEGRJEBRNAXPCZ-UHFFFAOYSA-N 358.492 3.562 0 40 FHAB COCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 12891357 IKJXUFFADXHMTB-UHFFFAOYSA-N 369.852 3.798 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1 3458877 IQIQMUGOGBFDEL-UHFFFAOYSA-N 372.215 3.592 0 40 FHAB CC(=O)c1cccc(OCC(=O)Nc2ccc(C)cc2Br)c1 3510217 YLKSFECYNHXCHP-UHFFFAOYSA-N 362.223 3.978 0 40 FHAB CCCCN(CC)C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 12917023 AYHAVVSAVKFQQL-UHFFFAOYSA-N 364.445 3.745 0 40 FHAB C[C@@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCCO2 12973566 CJQRTJNPHDSJKP-GFCCVEGCSA-N 365.351 3.897 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)Sc2nc(Cc3ccccc3)c(C)[nH]2)no1 9114793 XZKSVNDHHUEXEY-CYBMUJFWSA-N 356.451 3.725 0 40 FHAB CCCN1CC[C@@H](CNC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)C1 97174627 LIFVTVIJKXEONS-KRWDZBQOSA-N 368.525 3.789 0 40 FHAB CCOC(=O)[C@@H]1C(=O)C[C@](O)(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 13583567 DDDMZQZGOCQJOC-LMNJBCLMSA-N 372.848 3.854 0 40 FHAB O=C(CCn1ccc2ccc(Br)cc21)NCc1cccnc1 13691414 OZVPQOVTKKVFKG-UHFFFAOYSA-N 358.239 3.505 0 40 FHAB CC[C@@H](C)c1ccccc1OCC(=O)N1CCCc2c(C(N)=O)cccc21 49734890 FGNBPLFPRJCIMX-OAHLLOKOSA-N 366.461 3.657 0 40 FHAB CCOc1ccc(CCNC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1OCC 5005641 SITJTVWOALQJJI-UHFFFAOYSA-N 372.465 3.604 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)c1C 39978533 JUMQADNBWMSDOK-GFCCVEGCSA-N 371.462 3.861 0 40 FHAB COc1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)c(OC)c1 4393793 HNBJNQZZFHKHGP-UHFFFAOYSA-N 359.765 3.716 0 40 FHAB CCN(Cc1ccc(Cl)s1)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 14021164 LEZJUKULFXSVBS-SJCJKPOMSA-N 369.918 3.682 0 40 FHAB Cc1ccccc1C(=O)NCCC(=O)N(C)Cc1c(F)cccc1Cl 14188143 JPXUVNQNOJLAQR-UHFFFAOYSA-N 362.832 3.566 0 40 FHAB Cc1ccc(C)c(/C=C(/C(=O)N2CCOCC2)c2nc3ccccc3[nH]2)c1 14358767 QHUAYNSZPQCHNA-NBVRZTHBSA-N 361.445 3.579 0 40 FHAB COc1ccc(CC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1OC 5527302 CZMQBWGTKDJNEP-UHFFFAOYSA-N 361.266 3.581 0 40 FHAB COc1ccc(CC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 6789996 PKLJDMFMYBRPHY-JOCHJYFZSA-N 369.461 3.913 0 40 FHAB O=C(OCc1ncc(-c2ccccc2)o1)c1cncc(Br)c1 6916929 FBBNXJOORYMJGU-UHFFFAOYSA-N 359.179 3.856 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(NC(C)=O)cc1 7003176 GEVHVRZWRLHDIS-UHFFFAOYSA-N 362.813 3.633 0 40 FHAB O=C(COC(=O)c1ccc2c(c1)CCCC2)Nc1ccc(F)c(F)c1F 7143558 VUJWIJAZVRBGRL-UHFFFAOYSA-N 363.335 3.778 0 40 FHAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1n[nH]c(=O)c2ccccc12 7140917 PFIVJBAGOBTQCV-UHFFFAOYSA-N 362.433 3.556 0 40 FHAB Cc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2)ccc1Br 7308042 DQSYSRIYWRIILI-LBPRGKRZSA-N 354.269 3.797 0 40 FHAB Cc1ccc(CN2C[C@@H](C(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1 7406694 REYNCBYJMOQJQG-INIZCTEOSA-N 356.853 3.944 0 40 FHAB COc1cc2c(cc1OC)CN(c1nc3cc(C)nn3c3ccccc13)CC2 7779332 JFATVRFITCDWAO-UHFFFAOYSA-N 374.444 3.771 0 40 FHAB O=C(CCc1ccccc1)NCc1ccc(C(=O)N2CCCCC2)cc1 16142462 XUAISXJEUUZVOI-UHFFFAOYSA-N 350.462 3.562 0 40 FHAB c1ccc(-c2noc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)cc1 9591806 KUEHFAGFTLJSIK-KRWDZBQOSA-N 363.417 3.845 0 40 FHAB O=C(NC[C@H]1CCCO1)[C@@H](Sc1nc2ccccc2o1)c1ccccc1 9583664 DKXHYMJLOXDAEO-QAPCUYQASA-N 368.458 3.956 0 40 FHAB CCOCc1c(C(=O)Nc2cccc(S(C)(=O)=O)c2)oc2ccccc12 7944416 ZIGLZFLQYLLQNK-UHFFFAOYSA-N 373.430 3.625 0 40 FHAB Cc1cc(C)cc(Nc2nc(NCCO)nc3c2cnn3-c2ccccc2)c1 17010867 GVUSYOCSPUMKFH-UHFFFAOYSA-N 374.448 3.580 0 40 FHAB Brc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3nnnn32)cc1 8518561 HOPJMXGWSCILBZ-GJZGRUSLSA-N 356.227 3.582 0 40 FHAB C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)Oc4ccccc4)c3)C(=O)[C@@H]2C1 17987159 VCZXULSCNXPJGH-NIKGAXFTSA-N 363.413 3.831 0 40 FHAB COc1ccc(C(=O)Oc2ccc(/C=C3/SC(=O)N(C)C3=O)cc2)cc1 409310885 XDJBUOOFLACRTO-LFIBNONCSA-N 369.398 3.581 0 40 FHAB CC(=O)N[C@H](C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)C(C)C 8850904 CXBFHPFQIRIDQW-AWEZNQCLSA-N 351.859 3.563 0 40 FHAB CN(C)c1cccc(Cl)c1CNCc1ccc(CN2CCOCC2)cc1 95450135 BWVBSCNTXYKOPI-UHFFFAOYSA-N 373.928 3.528 0 40 FHAB CCCc1csc(NC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)n1 95982037 PFXMSIDEKFKUSV-MRVPVSSYSA-N 358.389 3.581 0 40 FHAB CC(C)[C@@H](NC(=O)N(C)CC(=O)NC(C)(C)C)c1ccc(Cl)cc1 9940992 FRAMXTKAHKUAQR-MRXNPFEDSA-N 353.894 3.593 0 40 FHAB Cc1noc(C)c1CCC(=O)NCc1ccc(COCC(F)(F)F)cc1 21522502 QRHHNTTVVJDOMR-UHFFFAOYSA-N 370.371 3.619 0 40 FHAB CCC[C@@H]1CCN(C(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)C1 76091522 NMKWIXYKOPMHSL-JBVUFVISSA-N 354.494 3.587 0 40 FHAB CC[C@@H](NC(=O)Cn1nccc1-c1cccnc1)c1ccc(Cl)cc1 177486203 ZODQHBDBAIECDI-QGZVFWFLSA-N 354.841 3.866 0 40 FHAB O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1cnc2ccccc2n1 56906044 QIFXSYINJFGCQO-UHFFFAOYSA-N 371.400 3.811 0 40 FHAB O=C(Cc1ccc2c(c1)OCCCO2)Nc1nc(-c2cccnc2)cs1 72401692 HWXYQAOVABPAOL-UHFFFAOYSA-N 367.430 3.548 0 40 FHAB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC#N 43079651 FLNMYNKADJEMLR-NTEUORMPSA-N 367.792 3.797 0 40 FHAB COc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(N)c2)cc1OC 226268405 XBHITJUOYSAQEX-UHFFFAOYSA-N 369.465 3.775 0 40 FHAB Cc1cccc(-c2noc(CN(C)C(=O)Cc3ccccc3Cl)n2)c1 225442701 IDIQDSRIIBAGIF-UHFFFAOYSA-N 355.825 3.900 0 40 FHAB COc1ccc([C@@H](C)NC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1 225798079 UQWBBGSBCIJDKO-CYBMUJFWSA-N 369.396 3.694 0 40 FHAB CCOC(=O)c1c(NCc2ccccc2C)c2cc(F)ccc2[nH]c1=O 49001425 IQPYESDEOMNJSJ-UHFFFAOYSA-N 354.381 3.764 0 40 FHAB COc1nc2ccccc2nc1NCC1CCN(C(=O)OC(C)(C)C)CC1 43220422 MVPMJLQAYYEPDE-UHFFFAOYSA-N 372.469 3.697 0 40 FHAB Cc1ccc(CS(=O)(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 44874790 RBVQQIUVUJTUMM-UHFFFAOYSA-N 372.534 3.601 0 40 FHAB CCOc1ccc(-c2noc(CNC(=S)Nc3ccc(C)cc3)n2)cc1 225829676 YWLRQNSGTFGUDZ-UHFFFAOYSA-N 368.462 3.930 0 40 FHAB CN1CCN(C(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)CC1 224927465 XWLUYJGPSYKSHZ-UHFFFAOYSA-N 365.408 3.535 0 40 FHAB c1cc(CNCc2ccc(C3CCCC3)cc2)cc(N2CCOCC2)n1 577157078 YOXUGZQPEOUURY-UHFFFAOYSA-N 351.494 3.866 0 40 FHAB O=C(c1ccc(F)cc1)N1C[C@H]2CCC[C@@]2(COCc2ccccn2)C1 96109336 DELAYWPSVWDJPU-UTKZUKDTSA-N 354.425 3.680 0 40 FHAB CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1cnc2c(F)cccc2c1 1130705080 PZOWDABRFUNWMS-INIZCTEOSA-N 359.445 3.889 0 40 FHAB Cc1cccc(-c2noc(CSc3nnc(-c4cccs4)n3C)n2)n1 680715600 OBGUPSHLKKXOEM-UHFFFAOYSA-N 370.463 3.589 0 40 FHAB Cc1nsc(N2CCC[C@H](COc3ncccc3C(F)(F)F)C2)n1 1776001545 ZENDJWXDJVGJID-NSHDSACASA-N 358.389 3.556 0 40 FHAB O=C(CCSc1nnc(Cc2ccccc2)o1)Nc1ccccc1F 54439208 RHAMHRVONBOUOP-UHFFFAOYSA-N 357.410 3.920 0 40 FHAB O=C(CN1CC[C@@H]1c1ccc(Cl)cc1)NCCCOCc1ccccc1 76093266 SPKBTPZXQSGTTD-HXUWFJFHSA-N 372.896 3.810 0 40 FHAB CCOc1ccccc1C(=O)Nc1cccc(SCCC(=O)OC)c1 89270093 FAARSFXTUJVEAL-UHFFFAOYSA-N 359.447 3.993 0 40 FHAB CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccccc2C(F)(F)F)NC(=S)N1 5787934 YEGLOVHNCRMOMJ-ZDUSSCGKSA-N 372.412 3.840 0 40 FHAB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(OC(C)C)cc1 5897344 HWWGGEBFJBEGIJ-UHFFFAOYSA-N 372.446 3.607 0 40 FHAB CCCCC[C@@](C)(O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O 5978233 XSGQFHNPNWBVPT-MYAMZRJESA-N 366.498 3.641 0 40 FHAB COc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3)n2C)c1 13003942 KULWXWHIEPQHSB-UHFFFAOYSA-N 368.462 3.530 0 40 FHAB CCc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)CC)cc1 13610408 DWVRCQPPBACLJC-UHFFFAOYSA-N 372.490 3.604 0 40 FHAB CCc1nn2c(C)c(C(C)=O)nnc2c1-c1ccc(Br)cc1 14164778 NSCYGBLUDINVFN-UHFFFAOYSA-N 359.227 3.627 0 40 FHAB Cc1ccc(SCC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c(C)c1 14182016 MHXCBGGIGJQMLT-MRXNPFEDSA-N 366.490 3.854 0 40 FHAB FC(F)(F)c1ccc(NC(=S)NCc2ccc3c(c2)OCO3)cc1 16237515 JQTBRTZMQJQUSB-UHFFFAOYSA-N 354.353 3.921 0 40 FHAB CC[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(OC)cc1 18131496 UENFCDHUJADAOR-LJQANCHMSA-N 352.434 3.703 0 40 FHAB CCc1noc(CC)c1C(=O)NCc1c(C)nn(-c2ccc(F)cc2)c1C 19521337 HYXXCMSFNQEFAQ-UHFFFAOYSA-N 370.428 3.671 0 40 FHAB CC1CCN([C@H](C)Cn2cncc2-c2cnn(Cc3ccccc3)c2)CC1 19719505 IPTCXXPTDUUFSD-LJQANCHMSA-N 363.509 3.915 0 40 FHAB Clc1ccc(NCc2nnc3n2N=C(c2ccccc2)CS3)cc1 19897532 GGFNLVIAQVCOGZ-UHFFFAOYSA-N 355.854 3.902 0 40 FHAB CC(C)c1ccc(OCC(=O)Nc2ccc3nc(NN)sc3c2)cc1 226312660 HTTHXCFBQPIZOA-UHFFFAOYSA-N 356.451 3.723 0 40 FHAB COc1ccc([C@H](OC(=O)c2cccs2)C(=O)NCCC(C)C)cc1 4889885 ODWXBWPTSSBORZ-KRWDZBQOSA-N 361.463 3.817 0 40 FHAB COc1ccc(-c2c/c(=N\CCC(=O)O)c3cc(C)ccc3o2)cc1OC 19911686 HQWBTCVKLHZDNN-CJLVFECKSA-N 367.401 3.801 0 40 FHAB COC1(OC)CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)C(=O)CC[C@@]32O)C1 253617373 JQRLVXRTTRZQBF-KZNVXQLXSA-N 350.499 3.702 0 40 FHAB CCCCn1c(=O)c2ccccc2n2c(SCC(=O)C(C)(C)C)nnc12 4509866 ZLTKSLYWMJLVBQ-UHFFFAOYSA-N 372.494 3.552 0 40 FHAB CCc1cc2c(C)cc(=O)oc2cc1OC(=O)COc1ccccc1C 7063866 BWWJKKQUNFRWSG-UHFFFAOYSA-N 352.386 3.957 0 40 FHAB O[C@]1(c2ccccc2)CN(c2ccc(Br)cc2)C2=[N+]1CCCC2 2966175 YRKDGLJQEMFVGK-IBGZPJMESA-N 372.286 3.709 0 40 FHAB CCCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OC1CCCCC1 4113542 HKMONENGJNJRIA-LJQANCHMSA-N 372.465 3.979 0 40 FHAB COc1cc(NC(=O)COc2cccc(C)c2)ccc1N1CCCCC1=O 5441558 VWYYIHMXAJFJNB-UHFFFAOYSA-N 368.433 3.538 0 40 FHAB O=C(CC1CCCCC1)NCCn1nc(-c2ccc(Cl)cc2)ccc1=O 9660941 JQSZCZMWRFTOBW-UHFFFAOYSA-N 373.884 3.650 0 40 FHAB CCOc1ccc([C@@H](c2sc3nc(CC)nn3c2O)N2CCCC2)cc1 22852997 PXENRKVJMAYZHY-INIZCTEOSA-N 372.494 3.643 0 40 FHAB COCCN(Cc1ccoc1)C(=O)CCc1ccc(C(F)(F)F)cc1 207975925 XACGUZPCNKJEDX-UHFFFAOYSA-N 355.356 3.906 0 40 FHAB CC(C)(C)NC(=O)N1CCC(CNC(=O)c2cccc3ccccc23)CC1 43978463 OXLWIVILOHCAAX-UHFFFAOYSA-N 367.493 3.790 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 30056915 UYJMNWKDNAEJOE-DOTOQJQBSA-N 370.880 3.830 0 40 FHAB CC(C)[C@H](NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1)c1ccccc1 40131611 SFTSJCWQIAAEAL-IBGZPJMESA-N 359.491 3.996 0 40 FHAB O=C(NCc1cccc(Cl)c1)c1nc(-c2c[nH]c3ccccc23)no1 20745305 CGIATKSZVGVYBO-UHFFFAOYSA-N 352.781 3.801 0 40 FHAB Cc1noc2ncc(C(=O)N(C)[C@@H](C)c3nc4ccccc4s3)cc12 32342390 VAVPVAJKZPDYHQ-NSHDSACASA-N 352.419 3.974 0 40 FHAB CS(=O)(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2Cl)cc1 32764414 DUVHKSHCKSBBAS-UHFFFAOYSA-N 372.273 3.968 0 40 FHAB CC(C)c1c(C(=O)NCCCOC2CCCCC2)cnn1-c1ccccn1 32912186 AODYCFASDNWTMN-UHFFFAOYSA-N 370.497 3.860 0 40 FHAB CCc1sc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cc1C 32930474 MXLNZVZWKGPASU-GASCZTMLSA-N 373.522 3.558 0 40 FHAB CC(C)(C)NC(=O)Cc1ccc(NC(=O)[C@]2(C)CC2(Cl)Cl)cc1 33073655 DLHBOVQRIRTOFK-INIZCTEOSA-N 357.281 3.666 0 40 FHAB O=C(COC(=O)c1ccnc(Cl)c1)Nc1cc(Cl)cc(Cl)c1 53154542 ZHKKYEWBFMBIPU-UHFFFAOYSA-N 359.596 3.837 0 40 FHAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccco2)cc1F 12487533 CVAALVDLNJBCPZ-UHFFFAOYSA-N 352.365 3.909 0 40 FHAB Cc1cccc(Cc2cnc(NC(=O)[C@H]3COc4ccccc4O3)s2)c1 818331 DCAYBWBZSQDACQ-GOSISDBHSA-N 366.442 3.821 0 40 FHAB CCN1CCN(c2ccc(NC(=O)CCc3ccccc3)c(C)c2)CC1 12545297 AJATVBQRFAEKJV-UHFFFAOYSA-N 351.494 3.708 0 40 FHAB O=C(Nc1cccc(Cl)c1F)[C@H]1CCCN(C(=O)c2ccoc2)C1 23053839 VPKNKYOHXFQYST-NSHDSACASA-N 350.777 3.563 0 40 FHAB CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@@H]2CCC[C@H](C)C2)cc1 1193591 PMGWXNCNYNOQLI-BOFPYLFWSA-N 372.465 3.835 0 40 FHAB Cn1ncc2c1N=C(O)CS[C@H]2c1cccc(OCc2ccccn2)c1 79478972 YZPUEJDEMMYEAA-SFHVURJKSA-N 366.446 3.818 0 40 FHAB CCc1cccc(C)c1N(C(=O)Cn1cnc2ccccc21)[C@@H](C)COC 937523 BYEDTISUAXWONZ-KRWDZBQOSA-N 365.477 3.975 0 40 FHAB COc1ccc(C)cc1NC(=O)COCc1cc(-c2ccc(F)cc2)on1 6876435 ZIOBQXBPYFATMR-UHFFFAOYSA-N 370.380 3.953 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)CCn1c(=O)oc2ccccc21 7269691 GXOZOCHKEOJCFJ-UHFFFAOYSA-N 360.797 3.594 0 40 FHAB COc1ccc(OC)c(-c2csc(NC(=O)c3cccc(C)n3)n2)c1 24730720 HMJZWMOKNZRHCJ-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CSCN1C(=O)c1ccccc1 55289401 ZQZHHCAVUAMASQ-HNNXBMFYSA-N 364.829 3.633 0 40 FHAB COc1ccc(C)cc1CN1C[C@H]2CCC[C@H](C1)C2(O)c1ncccc1C 100775435 MVIJRIXUBRTWSZ-WOJBJXKFSA-N 366.505 3.827 0 40 FHAB O=C(N[C@@H]1CCOc2ccccc21)c1cccnc1SCC(F)(F)F 25061266 PRQRUYZDSTZBJZ-CYBMUJFWSA-N 368.380 3.990 0 40 FHAB C[C@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)c1ccc(F)cc1 25043540 UTHLYMFOVLFDKO-GWCFXTLKSA-N 367.471 3.632 0 40 FHAB COc1ccc(C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)c(O)c1 57129293 IZEJSHYYWJKAMF-UHFFFAOYSA-N 356.809 3.734 0 40 FHAB COc1ccc(CCNC2CCC(C(=O)OC(C)(C)C)CC2)c(OC)c1 95454115 MEETUQQRLSRYOF-UHFFFAOYSA-N 363.498 3.736 0 40 FHAB Cc1cccc(CSc2nnc(NC(=O)c3snnc3C)s2)c1 9250907 IFULRZRBDGSWJA-UHFFFAOYSA-N 363.493 3.551 0 40 FHAB Cc1ccc(-c2noc(-c3cccn3CC(=O)Nc3nccs3)n2)cc1 57486907 QQFXAGQAVVZOFH-UHFFFAOYSA-N 365.418 3.609 0 40 FHAB CCOc1cccc(/C=C2\NC(=S)N(c3ccc(Cl)cc3)C2=O)c1O 9722450 BXCKFHVXPLKLNA-UVTDQMKNSA-N 374.849 3.707 0 40 FHAB COc1ccc([C@@]2(O)CN(c3ccc(C)cc3)C3=[N+]2CCCCC3)cc1 22408121 UHESDVZWMMWICE-QFIPXVFZSA-N 351.470 3.654 0 40 FHAB CC(=O)N[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1)C(C)C 12755944 IHMYDGVHUXIQJY-GOSISDBHSA-N 371.506 3.788 0 40 FHAB O=C(NCc1ccccc1OC(F)F)[C@H]1COc2ccc(Cl)cc2C1 10114935 QXGAJJADPOVFNU-CYBMUJFWSA-N 367.779 3.809 0 40 FHAB Fc1cccc([C@H]2CCCN2C[C@H]2CN(Cc3ccccc3)CCO2)c1 58166160 MGTNBLMEXLEPLM-FGZHOGPDSA-N 354.469 3.864 0 40 FHAB COc1ccc(-c2csc3ncnc(NCCc4nc(C)no4)c23)cc1 58175726 CYSPJRHJSLFHJJ-UHFFFAOYSA-N 367.434 3.713 0 40 FHAB Cc1ccc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3C(=S)NCC(C)C)cc1 100426784 PAEOHARENRTHNZ-OALUTQOASA-N 373.566 3.641 0 40 FHAB Cc1cccc(-n2nnnc2SCC(=O)c2ccc(Cl)cc2)c1C 23265851 ZHRUDOQQXQWJED-UHFFFAOYSA-N 358.854 3.908 0 40 FHAB CCSc1ncc(Br)c(C(=O)Nc2ccccc2C)n1 27743719 JUQZLEANIGWJEL-UHFFFAOYSA-N 352.257 3.912 0 40 FHAB O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1 12738081 RSDPVABWLSDHTR-OXJNMPFZSA-N 372.484 3.859 0 40 FHAB COc1ccc2c(c1)c1[nH]c(=S)n(Cc3ccccc3)c(=O)c1n2C 102923422 BERNVGMFZWOJFU-UHFFFAOYSA-N 351.431 3.608 0 40 FHAB O=C(C1=Cc2ccccc2OC1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10546595 RGFIXZGTLJYTAC-INIZCTEOSA-N 359.429 3.745 0 40 FHAB Cc1cccc(-c2nnc(SCC(=O)c3cc(C)n(C)c3C)n2C)c1 3398003 FDJLKAWGSJETKF-UHFFFAOYSA-N 354.479 3.721 0 40 FHAB CSc1ncccc1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)cc1Cl 3388851 BDDRFVZRVAEOMN-VIFPVBQESA-N 368.817 3.780 0 40 FHAB CC(C)Cc1nc2sc3c(NCCCO)ncnc3c2c2c1CCC2 2220613 OETHTBVCIHULHR-UHFFFAOYSA-N 356.495 3.721 0 40 FHAB COc1cccc([C@@H]2C[C@H](c3cccc(Cl)c3)n3nc(N)nc3N2)c1 2396192 MZELGKBTALBKDW-JKSUJKDBSA-N 355.829 3.669 0 40 FHAB Cc1nc(COc2ccc(C(=O)N3CCC[C@@H]4CCCC[C@@H]43)cc2)no1 48333548 YZPLICQMKMMISO-YJBOKZPZSA-N 355.438 3.752 0 40 FHAB Cc1noc(C2CCN(C(=O)Cc3coc4c(C)c(C)ccc34)CC2)n1 48374613 WSLADBOGDLTGLS-UHFFFAOYSA-N 353.422 3.690 0 40 FHAB Cc1ccc(C(=O)Nc2cccc(C(=O)NCC(F)(F)F)c2)c(C)c1 11447557 KQQWBAPKVVYEJD-UHFFFAOYSA-N 350.340 3.848 0 40 FHAB CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(NC(=O)C2CC2)cc1 36732646 WLPWXPGNQLQLTD-UHFFFAOYSA-N 372.852 3.840 0 40 FHAB CC(=O)Nc1ccc(CC(=O)Nc2ccc(N3CCCC3)cc2C)cc1 11572848 OOUSZWATYWBEJP-UHFFFAOYSA-N 351.450 3.735 0 40 FHAB O=S1(=O)C[C@H]2[C@H]1[C@@]1(c3ccccc3)O[C@@]2(c2ccccc2)c2ccccc21 100498865 OTRXFUPTBFSOCH-MLCQCVOFSA-N 374.461 3.631 0 40 FHAB CC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3nc2C)cc1 29282044 BNMJTPRKSOFXJH-UHFFFAOYSA-N 351.431 3.872 0 40 FHAB CNc1snc(C)c1C(=O)N(C)Cc1ccc(OC(F)(F)F)cc1 12949000 XJZYBQOOQSSAKO-UHFFFAOYSA-N 359.373 3.664 0 40 FHAB O=c1ccc(-c2cccs2)nn1Cc1ccc(OC(F)(F)F)cc1 61720620 PAIAZQINYWBZNM-UHFFFAOYSA-N 352.337 3.919 0 40 FHAB CCOC(=O)CC1=Nn2c(nnc2-c2ccc(C(C)(C)C)cc2)SC1 3886465 OVKGAOZDROEACM-UHFFFAOYSA-N 358.467 3.506 0 40 FHAB O=C(Nc1ccccc1)c1nnsc1[S@@](=O)c1ccc(Cl)cc1 4051847 WILVTSRBYJQXPP-HSZRJFAPSA-N 363.851 3.611 0 40 FHAB aggregator COc1ccc2nc(S[C@H](C)C(=O)c3ccc(NC(C)=O)cc3)[nH]c2c1 4252306 WAIOUYSCNYMYAD-LLVKDONJSA-N 369.446 3.893 0 40 FHAB COc1cccc(C(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)c1 14119961 DVGWNLHXHXDDCV-UHFFFAOYSA-N 352.312 3.925 0 40 FHAB CC(=O)N1CC=C(c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)CC1 14180838 WPHKWVXGFLKEGV-UHFFFAOYSA-N 364.445 3.648 0 40 FHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)Nc1ccc(F)c(Cl)c1)(C3)C2 14190577 UXQKYEHSGRNMAA-NFAYLAGKSA-N 364.848 3.893 0 40 FHAB CC(C)CC(=O)NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20151391 OKQQDZSZTHVCFF-UHFFFAOYSA-N 366.870 3.951 0 40 FHAB CCC[C@@H](C(=O)NC[C@H](c1ccc(OC)cc1)N(C)C)c1ccccc1 6934684 BNSDOIQSEDKUGI-NHCUHLMSSA-N 354.494 3.998 0 40 FHAB CCc1ccc(S(=O)(=O)N(C)Cc2cc(Cl)ccc2OC)cc1 15365397 KYQCNRYWMIMORH-UHFFFAOYSA-N 353.871 3.732 0 40 FHAB C[C@@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)c1ccccc1Cl 7134755 OEOOEQRSLWTJSB-LLVKDONJSA-N 356.900 3.839 0 40 FHAB O=S(=O)(c1ccccc1F)N1CCC[C@@H]1c1nc2ccccc2s1 7217410 HLFHTDDMQBHJAP-CQSZACIVSA-N 362.451 3.961 0 40 FHAB O=C(CN1CCC[C@@H]1c1cccs1)NCCOc1ccc(Cl)cc1 7443111 XXTWOEFYBAMEQU-MRXNPFEDSA-N 364.898 3.734 0 40 FHAB O=C(c1cccs1)N1CCC(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)CC1 7626824 ONBGKXQAKILJKE-RDJZCZTQSA-N 360.523 3.639 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c(C)c1 16824639 YVRSPMPIJZQXJJ-VPSFDDGASA-N 357.450 3.569 0 40 FHAB CCc1cccc(C)c1NC(=O)Cn1nnc(-c2ccccc2Cl)n1 8221416 KNJJYGANJPOZAI-UHFFFAOYSA-N 355.829 3.503 0 40 FHAB COc1ccc(CCN(C)[C@H](C)C(=O)Nc2ccccc2C)cc1OC 8328589 XTFKLDHZBUFSPJ-MRXNPFEDSA-N 356.466 3.514 0 40 FHAB C[C@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)N1CCCC1 8327460 SSDJHXCDVCEQKR-YJBOKZPZSA-N 367.518 3.962 0 40 FHAB COCCN1C(=O)S/C(=C/c2cccn2-c2ccc(C)c(C)c2)C1=O 409136970 SRYQUGJTFHGJSB-SFQUDFHCSA-N 356.447 3.777 0 40 FHAB C[C@H](NC(=O)C(=O)Nc1cnc2ccccc2c1)c1ccc2c(c1)CCCC2 70795055 MCRJXDABTCKPQY-HNNXBMFYSA-N 373.456 3.930 0 40 FHAB CCOC(=O)c1ccoc1CSc1nnc(-c2ccccc2C)n1C 8935412 JEQOEXWNFKLLTK-UHFFFAOYSA-N 357.435 3.853 0 40 FHAB CC(C)[C@H](C)CC(=O)N1C[C@@H]2CCCN(C(=O)C[C@@H](C)C(C)C)[C@@H]2C1 75092607 HBZLEBRTGZKYTD-AKHDSKFASA-N 350.547 3.800 0 40 FHAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(OC)c(OC)c1 20111858 RIECQDOPAKJZGQ-OAHLLOKOSA-N 363.841 3.831 0 40 FHAB CCc1cccc(CC)c1NC(=O)c1ccccc1NC(=O)/C=C\C(=O)O 38784951 GETYBTGLRCVAJE-SEYXRHQNSA-N 366.417 3.643 0 40 FHAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)c1C 408559702 BILIIHSSIZAKHQ-UHFFFAOYSA-N 373.478 3.732 0 40 FHAB Cc1[nH]/c(=N\S(=O)(=O)c2cccc(COc3ccccc3)c2)sc1C 72264754 VNBRKBLKVQXRDJ-UHFFFAOYSA-N 374.487 3.562 0 40 FHAB Cc1cccc(NC(=O)N2CCC(NC(=O)c3cccc(C)c3)CC2)c1 35289447 UGYBNDGPCODMCK-UHFFFAOYSA-N 351.450 3.730 0 40 FHAB CN1CCC(Oc2ccc(CNC(=O)c3cccc(Cl)c3)cc2)CC1 78578674 ZYRDSRWXNZYRDQ-UHFFFAOYSA-N 358.869 3.743 0 40 FHAB Cc1cc(C)c(S(=O)(=O)NCc2ccccc2)cc1Br 36638866 XBWBJSUZXFGIGG-UHFFFAOYSA-N 354.269 3.544 0 40 FHAB C[C@@H](C(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccncc2)C1)c1ccccc1 72334779 ZPZCHAADGSGCDF-VQIMIIECSA-N 360.461 3.981 0 40 FHAB COc1cccc(CN2C[C@@H]3[C@@H](CCC[C@]3(O)c3ccccc3OC)C2)c1 72340974 HYMIIRVRJSDLIF-ZEYPLWLESA-N 367.489 3.824 0 40 FHAB COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 223660318 MOVMZWVBXMAPQZ-UHFFFAOYSA-N 361.463 3.908 0 40 FHAB COc1ccc([C@@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2CC(C)C)cc1 49466895 HKAVJJZFWLVSAZ-RBUKOAKNSA-N 353.418 3.717 0 40 FHAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCN(C)C)cc1 225623246 JPHBDJRMZMMVMR-HXUWFJFHSA-N 350.503 3.941 0 40 FHAB CCOc1ccc(NC(=O)C2(C3(C(=O)N(C)C)CC3)CC2)c2ccccc12 225925682 OQHPLZKNQZAOSF-UHFFFAOYSA-N 366.461 3.826 0 40 FHAB CS(=O)(=O)Cc1ccccc1OCc1ncc(-c2ccc(F)cc2)o1 572906523 IKFDDPQRLXGILR-UHFFFAOYSA-N 361.394 3.604 0 40 FHAB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)c1 225702242 ZXDQUYSZIMEPPH-UHFFFAOYSA-N 362.476 3.753 0 40 FHAB Cc1ccc(CNC(=S)Nc2nc(C)cc(N3CCC(C)CC3)n2)cc1 225944704 YPOHBQNHWMWXMG-UHFFFAOYSA-N 369.538 3.816 0 40 FHAB CC(C)CC(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC(C)C)c1ccccc12 96241958 NKVPDFLWZKVHSG-GOSISDBHSA-N 370.537 3.995 0 40 FHAB CCCc1nc(C)sc1C(=O)N1CCc2cc(OC)c(OC)cc2C1 96114757 PXJUMRIXALOVOC-UHFFFAOYSA-N 360.479 3.620 0 40 FHAB biogenic COc1ccc(C(=O)CNC(=O)c2ccc3c(ccn3C(C)C)c2)cc1 95472269 SOXNYAFCGFJELE-UHFFFAOYSA-N 350.418 3.844 0 40 FHAB CC(C)N(C)c1cccc(NC(=O)N2CCC[C@H](N3CCCC3=O)CC2)c1 585140142 SDJUPXANOPKBMD-SFHVURJKSA-N 372.513 3.540 0 40 FHAB CCc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 244047823 TUEUOYPPFJPIBV-UHFFFAOYSA-N 374.506 3.777 0 40 FHAB O=C(c1ccccc1)N1CCC[C@H](c2cccc(Nc3cnccn3)n2)C1 257297981 RJPLKMBGJIVAQU-KRWDZBQOSA-N 359.433 3.635 0 40 FHAB O=C(N1CCC[C@H](c2cnccn2)C1)C1(Oc2ccccc2)CCCCC1 257307555 SZEZKEMZDRZEGJ-SFHVURJKSA-N 365.477 3.965 0 40 FHAB COC(=O)c1ccc(C2CCN(C(=O)COc3ccc(C)cc3)CC2)cc1 85473033 FIYHMDHTZIWVTI-UHFFFAOYSA-N 367.445 3.567 0 40 FHAB O=C(C1CCCC1)N1CCO[C@H](c2cccc(Cc3ccccc3F)n2)C1 257293746 QQZNBRSBWUGTMA-NRFANRHFSA-N 368.452 3.902 0 40 FHAB c1cc(CN2CCC[C@H](Cc3cncc(-c4ncc[nH]4)n3)C2)c2cc[nH]c2c1 257213621 CIJJMZQLZCTXFQ-MRXNPFEDSA-N 372.476 3.803 0 40 FHAB Cn1cc(-c2ncccc2C(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)cn1 611965825 UJIHQQUMTGJNDL-IUODEOHRSA-N 366.387 3.581 0 40 FHAB C[C@H]1C[C@@H](n2cc([C@H](N[C@H]3C[C@@H](CO)C3)C(F)(F)F)cn2)CC[C@H]1C 1775985453 HKIMFACWMYVDFY-QMDRRDLFSA-N 359.436 3.844 0 40 FHAB Cc1cc(C)n(-c2cccc(-c3ccc4c(c3)S(=O)(=O)CCC4)c2)n1 1616044350 ZKUWROSHOYJMPC-UHFFFAOYSA-N 352.459 3.876 0 40 FHAB Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3CN(Cc4cccnc4)C[C@H]23)o1 585109622 FSGXWTJQLCMZDS-JAXLGGSGSA-N 373.456 3.683 0 40 FHAB Cc1nc(-c2ccccn2)nc(N2CCO[C@@H](c3ccccc3F)C2)c1C 68699357 QUWTXRBXFCEWIH-LJQANCHMSA-N 364.424 3.872 0 40 FHAB CCN1CCN(c2ccc(NC(=O)/C=C/c3ccccc3F)cc2)CC1 18892053 VNDQAZYDNGXHPN-KPKJPENVSA-N 353.441 3.620 0 40 FHAB O=C(NCc1ccc(Cl)cc1)NCC1(c2ccsc2)CCOCC1 952989615 JTNUKQQEEIJRLD-UHFFFAOYSA-N 364.898 3.949 0 40 FHAB Cc1cccc(N2CCN(C(=O)c3ccc(OC(F)F)cc3)CC2)c1C 5200195 VELSIYWLHFPKMA-UHFFFAOYSA-N 360.404 3.867 0 40 FHAB CCc1nc2cc(NC(=O)c3cccc(Cn4ccnc4)c3)ccc2n1C 12147373 JNIIZXXCSWABFG-UHFFFAOYSA-N 359.433 3.633 0 40 FHAB CCSc1ncc(CN2CCC[C@@](O)(c3ccc(F)cc3)CC2)cn1 12188848 AHXPKXBRGRBMSW-IBGZPJMESA-N 361.486 3.601 0 40 FHAB CC(C)C[C@H](N[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 12751479 DPFWUYMXHYMRFZ-KDOFPFPSSA-N 366.465 3.560 0 40 FHAB CCn1c(S[C@H](C(=O)N2CCCC2)c2ccccc2)nnc1C1CC1 14023074 NQPYTMVWTRPYAL-INIZCTEOSA-N 356.495 3.631 0 40 FHAB O=C(c1ccccc1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCCC1 15987551 XJWPYAVJKBOZPO-UHFFFAOYSA-N 361.445 3.898 0 40 FHAB O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1cc2ccccc2o1 17073361 IOGSRHLSFMUZSQ-UHFFFAOYSA-N 354.475 3.862 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3cccc(-n4cccn4)c3)on2)cc1 19718919 QEVIWYVQTJWHGU-UHFFFAOYSA-N 360.373 3.788 0 40 FHAB C[C@@H](NC(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1)c1c(F)cccc1Cl 625981322 OOIFZZNENKUVPX-UKRRQHHQSA-N 374.843 3.819 0 40 FHAB C[C@]1(Cc2ccccc2)CCCN1C(=O)NCc1noc2c1CCCC2 585083204 WLVVSMMSOAFGBG-OAQYLSRUSA-N 353.466 3.860 0 40 FHAB CNc1cc([C@@H]2CCCN(C(=O)c3cc4ccc(F)cc4[nH]3)C2)ccn1 1848352323 BICUHUDCERXGOR-OAHLLOKOSA-N 352.413 3.764 0 40 FHAB COc1ccccc1-c1nnc(NC(=O)CSc2ccc(F)cc2)o1 4496780 AVWZSXLCXFSCDG-UHFFFAOYSA-N 359.382 3.615 0 40 FHAB O=C(C[C@H]1CCCO1)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1889803127 LMKULEAZJDNYRZ-MRXNPFEDSA-N 359.857 3.558 0 40 FHAB O=C(C[C@@H]1CCCO1)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1889803126 LMKULEAZJDNYRZ-INIZCTEOSA-N 359.857 3.558 0 40 FHAB COc1ccc2oc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)c(C)c2c1 9532725 ZBLQAQUXCAGENE-KRWDZBQOSA-N 368.433 3.910 0 40 FHAB COc1ccc(C(=O)c2nccc3cc(OC)c(OC)cc23)cc1OC 1609699 QJTBIAMBPGGIGI-UHFFFAOYSA-N 353.374 3.500 0 40 FHAB endogenous,in-man COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2ccnc2C)cc1 30696218 YQKJYBOVJJKKQN-OAQYLSRUSA-N 374.444 3.578 0 40 FHAB COc1ccc(OC)c(CNCc2ccc(OCc3ccncc3)cc2)c1 30629570 XMUULJPXDDXAHF-UHFFFAOYSA-N 364.445 3.968 0 40 FHAB O=C(CCc1ccc(F)cc1)Nc1cccc(CN2CCCCC2=O)c1 50474537 LBFYBEYSGSVVHA-UHFFFAOYSA-N 354.425 3.910 0 40 FHAB COc1ccccc1CCNC(=O)Cc1csc(-c2ccc(C)o2)n1 32816161 ZYSLOJVXTWQWHS-UHFFFAOYSA-N 356.447 3.622 0 40 FHAB Cc1noc(C(C)C)c1C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 21710730 DHJARSOFBWFCGC-UHFFFAOYSA-N 352.438 3.623 0 40 FHAB CCOc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1C 779365 JYKRFCJTHOTRIF-UHFFFAOYSA-N 374.491 3.673 0 40 FHAB COc1ccc2cc(-c3n[nH]cc3CN(C)C[C@H]3CCCN3C)ccc2c1 22851520 NOGASNABZBYSPC-HXUWFJFHSA-N 364.493 3.765 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc23)cc1 886832 FPKBYRRKCAYMEQ-UHFFFAOYSA-N 367.409 3.684 0 40 FHAB O=C(NC(=S)Nc1cccnc1Cl)c1ccc(Br)cc1 2687387 NVBRUBFVIONKKQ-UHFFFAOYSA-N 370.659 3.624 0 40 FHAB CO[C@@H](C)c1cccc(NC(=O)c2nn(-c3ccccc3F)cc2O)c1 104887071 AKNZEEXTOAGCKK-LBPRGKRZSA-N 355.369 3.677 0 40 FHAB COCCOc1cccc(CN2[C@@H]3CC[C@@H]2c2cnc(C4CC4)nc2C3)c1 100728963 YYNYMGNONIYXEB-DYESRHJHSA-N 365.477 3.641 0 40 FHAB Cn1cc(/C=C/C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)cn1 55908447 IBZNFWXULSHSQQ-YPHWWSSASA-N 374.282 3.853 0 40 FHAB O=C(Nc1cccc(C(=O)N2CCC[C@@H]2C2CCCC2)c1)[C@@H]1CCCO1 56034706 JWYPWUBVWOYXIP-MOPGFXCFSA-N 356.466 3.599 0 40 FHAB O=C(Nc1nccs1)[C@H]1CCCN(C(=O)Nc2ccccc2Cl)C1 56529998 QUYPLECSFNAQQF-NSHDSACASA-N 364.858 3.679 0 40 FHAB Cc1ccc(-c2cc(C(=O)NCc3ccccc3Cn3cccn3)[nH]n2)cc1 9735279 NISUUJUBUQSVCF-UHFFFAOYSA-N 371.444 3.560 0 40 FHAB COc1ccc(OC)c(NC(=O)[C@H](C)Sc2ccccc2C(=O)O)c1 12759427 QNOXUJYZKNTKRQ-NSHDSACASA-N 361.419 3.521 0 40 FHAB CCCCCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1 2052141 CMDIDMXYVRKNLT-UHFFFAOYSA-N 359.451 3.925 0 40 FHAB FC(F)Oc1ccc(-c2nnc(SCc3nnc(C4CC4)o3)o2)cc1 58165840 DACUJCXQVFUJGJ-UHFFFAOYSA-N 366.349 3.891 0 40 FHAB O=C(N[C@H](N1CCCC1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 27016353 HJNDBMYXUWNGQD-GFCCVEGCSA-N 356.080 3.862 0 40 FHAB Cc1cccc(OCCCC(=O)N2CCN(c3ccccc3F)CC2)c1 44817729 LQNJIBYHHHWCNB-UHFFFAOYSA-N 356.441 3.642 0 40 FHAB Cc1[nH]c2ccccc2c1C1CCN(C(=O)[C@H](C)OC[C@@H]2CCCO2)CC1 58428553 RHKQMPZRFSCMHH-WMZOPIPTSA-N 370.493 3.766 0 40 FHAB COc1ccccc1[C@H](NC(=O)c1ccccc1Cl)c1nccn1C 48302448 RUDOYNDIJFWDDK-KRWDZBQOSA-N 355.825 3.602 0 40 FHAB CCc1nnsc1C(=O)NCc1ccccc1CN1C[C@H](C)C[C@@H](C)C1 48354730 FNXYIYYADVTGJA-HUUCEWRRSA-N 372.538 3.508 0 40 FHAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc2cc(F)ccc2s1 12874642 YPBZVWLKBZVRLH-OAHLLOKOSA-N 357.406 3.555 0 40 FHAB O=C(CCOc1cccc(F)c1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 89866473 OZDRRTNWURRIIJ-OAHLLOKOSA-N 367.424 3.877 0 40 FHAB C[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1ccc2ccccc2c1 12862464 WCECGLVKNCCXDC-CQSZACIVSA-N 350.393 3.586 0 40 FHAB COC(=O)C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 59959760 BTENPUXRFGAWNL-HNNXBMFYSA-N 369.314 3.879 0 40 FHAB CCCCOc1ccc(-c2cc(C(=O)Nc3nnc(C)s3)no2)cc1 46086165 QMYNYANEAMUDDQ-UHFFFAOYSA-N 358.423 3.933 0 40 FHAB CCOC(=O)c1c(N)c(C(=O)c2ccc3c(c2)CCCC3)n2ccccc12 22760137 YGCUZJTZCGTESD-UHFFFAOYSA-N 362.429 3.808 0 40 FHAB Cc1cccc(CN2CCN([C@@H](C)c3nnc(-c4ccccc4)o3)CC2)c1 22925193 OUAAMACIXMEDML-SFHVURJKSA-N 362.477 3.924 0 40 FHAB Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(N2CCCC2)cn1 60625941 SMJILHXZNUFLQW-UHFFFAOYSA-N 354.435 3.959 0 40 FHAB Cc1cccc(Cn2cc(NS(=O)(=O)c3ccc(Cl)cc3)cn2)c1 2804963 SQZVAWJCQGEGAM-UHFFFAOYSA-N 361.854 3.694 0 40 FHAB CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 9190508 WXACYKMHFXLBLM-UHFFFAOYSA-N 365.227 3.823 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Oc1ccc2c(c1)OCO2 9112132 FSJWVTKJHOOVEG-NSHDSACASA-N 363.797 3.792 0 40 FHAB CCc1ccc(-c2nc(C)c(C(=O)N3C[C@H]4[C@@H](O)CC[C@H]4C3)s2)cc1 96010785 FYVVUTFWVGTJFN-BBWFWOEESA-N 356.491 3.524 0 40 FHAB CC1(C)COCCN1C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 64812335 MLCPBGOXRNDNLZ-UHFFFAOYSA-N 353.466 3.528 0 40 FHAB CC(=O)N[C@H](CC(=O)OCc1ncc(-c2ccccc2)o1)c1ccccc1 4220112 BHAMHVCCAJBBTO-GOSISDBHSA-N 364.401 3.652 0 40 FHAB CCN1CCC2(CC1)OCCN2C(=O)c1oc2c(C)c(C)ccc2c1C 13721863 FKAAUPOCFGSPRZ-UHFFFAOYSA-N 356.466 3.642 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3F)o2)cc1 409386513 UZXFUKAJHVDLKV-UHFFFAOYSA-N 373.409 3.827 0 40 FHAB Cc1cccc(NC(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)c1 5211124 DVKARMIKSQPBDU-UHFFFAOYSA-N 363.417 3.593 0 40 FHAB Cc1c(C(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)oc2c1C(=O)CCC2 65514025 HNMLJVXPNUNVBE-UGSOOPFHSA-N 353.418 3.709 0 40 FHAB O=C(CCSc1ccccc1)NCCc1cnc(-c2ccccc2)nc1 225592197 LJWZOABYGTUYTG-UHFFFAOYSA-N 363.486 3.985 0 40 FHAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2ccccc2)n1 6464184 MYTYDVYTFUGVDL-UHFFFAOYSA-N 374.853 3.865 0 40 FHAB C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)c1ccc(Cl)cc1 4555265 QZKABEWLXKGTPH-ZFWWWQNUSA-N 371.820 3.508 0 40 FHAB COc1cc(OC)c(/C=C2\C(=O)Nc3ccccc32)cc1Br 4690194 LEFCXLFRLCCIBN-GHXNOFRVSA-N 360.207 3.959 0 40 FHAB Cc1csc(CCCCNC(=O)c2ccc3c(O)[nH]c(=S)nc3c2)n1 66143807 CXTJCAQWZBFXKH-UHFFFAOYSA-N 374.491 3.516 0 40 FHAB COc1ccc2c(C)c(CCC(=O)NCc3ccc(C)cc3)c(=O)oc2c1 4743607 SIPDPVMUXHMZFL-UHFFFAOYSA-N 365.429 3.667 0 40 FHAB Cc1ccc(Cl)cc1-n1ncc2c(NCc3cccnc3)ncnc21 20661987 TZKSWXWEYFACHC-UHFFFAOYSA-N 350.813 3.784 0 40 FHAB CC(=O)c1cccc(OCC(=O)N[C@H]2CCSc3ccc(F)cc32)c1 15199626 CMDLKFYYNXQFSQ-KRWDZBQOSA-N 359.422 3.760 0 40 FHAB COc1cccc(N2C(=O)/C(=C/NCCC(C)C)c3ccccc3C2=O)c1 6906656 LJDZCNBENQDJON-XSFVSMFZSA-N 364.445 3.859 0 40 FHAB CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(N2CCCC2=O)cc1 6942605 DFKTVGVATGBDFE-UHFFFAOYSA-N 360.816 3.878 0 40 FHAB CCN(Cc1ccccc1)C(=O)[C@H](C)Nc1cc(NC(C)=O)ccc1OC 7057969 VWDHQKMWYKMNKU-HNNXBMFYSA-N 369.465 3.503 0 40 FHAB CC(C)(C)C(=O)N1CCN(C(=O)Nc2cccc(SC(F)F)c2)CC1 67355848 OXXWPVOWLXKGTG-UHFFFAOYSA-N 371.453 3.724 0 40 FHAB CC(C)CN(C(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 9452357 OGCQNKMOYIAPAW-FQEVSTJZSA-N 371.502 3.639 0 40 FHAB O=C(COC(=O)Cc1ccccc1Cl)Nc1ccc(Cl)cc1F 7535771 BTRYZWNEINQZBW-UHFFFAOYSA-N 356.180 3.857 0 40 FHAB O=S(=O)(Oc1ccccc1-c1ccccc1)c1ccc2c(c1)OCCO2 16090223 IGFDNGXYIIGBFH-UHFFFAOYSA-N 368.410 3.893 0 40 FHAB CCOc1ccc2oc(C(=O)OCC(=O)N[C@@H]3CCCC[C@@H]3C)c(C)c2c1 7780663 IONALKXYPXWPGN-SUMWQHHRSA-N 373.449 3.992 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3ccco3)o2)c1C 7726478 DPEUOSVJSRZZDZ-NSHDSACASA-N 359.407 3.841 0 40 FHAB Fc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4cccs4)C2)OC3)cc1 306139958 UFFXAKQVOGRVAQ-HXUWFJFHSA-N 369.465 3.926 0 40 FHAB COc1ccc(OC)c(NC(=O)CNc2cccc(Br)c2)c1 7953205 WBWHIGZZYZGJJB-UHFFFAOYSA-N 365.227 3.517 0 40 FHAB CS(=O)(=O)c1ccccc1C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 8268612 LIWZYPCDIXXZJZ-KRWDZBQOSA-N 363.866 3.625 0 40 FHAB O=C(CN(C1=NCCCC1)c1ccccc1)c1ccc2c(c1)OCCO2 8436122 SZLTXDZXGAUWQX-UHFFFAOYSA-N 350.418 3.730 0 40 FHAB NC(=O)CCSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 8746152 XSQCPEAFCAGKPZ-UHFFFAOYSA-N 372.881 3.614 0 40 FHAB O=C(/C=C/c1ccco1)N1CCc2n[nH]c(-c3ccc(Cl)cc3)c2C1 8914157 CXNBRRBELIPWFU-BQYQJAHWSA-N 353.809 3.921 0 40 FHAB Cc1ccc([C@H](CNC(=O)/C=C/c2ccnc(Cl)c2)N2CCCC2)o1 84195143 QXCHQJIEYPLQPS-YERXGYGTSA-N 359.857 3.603 0 40 FHAB O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1csc(Cl)n1 95945663 FLWSLKFAHPBKEQ-SNVBAGLBSA-N 355.822 3.779 0 40 FHAB O=C(NCCc1nc2c(s1)CCCC2)c1ncoc1-c1cccs1 89800054 XVQOKBQJBDBIHE-UHFFFAOYSA-N 359.476 3.711 0 40 FHAB CCOc1ccccc1CNS(=O)(=O)c1ccc2cc(OC)ccc2c1 223874375 GVXJQRAPZZSTMS-UHFFFAOYSA-N 371.458 3.726 0 40 FHAB COc1ccc(CC(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)cc1 20137325 HYYAACNURHVYSK-UHFFFAOYSA-N 367.401 3.637 0 40 FHAB O=C(NCc1cccnc1)c1ccccc1NC(=S)Nc1ccccc1 408562555 AWXBFABQTIDFGA-UHFFFAOYSA-N 362.458 3.821 0 40 FHAB CCCCCN1C(=O)[C@H](C(=O)OCC)[C@@H](C(C)C)n2c1nc1ccccc12 20675505 OUWGCJRMTRGRLZ-QZTJIDSGSA-N 371.481 3.950 0 40 FHAB CC(=O)Oc1c(Br)cc(Br)cc1Br 1596296 SLENHFBXWIEZCY-UHFFFAOYSA-N 372.838 3.899 0 40 FHAB biogenic,in-vitro CCCn1cc(CNC(=O)c2cc(C3CC3)nc3onc(C4CC4)c23)cn1 36617416 KITISXWDUUOCPE-UHFFFAOYSA-N 365.437 3.514 0 40 FHAB COc1cccc(O[C@H](C)C(=O)Nc2cc(OC)c(Cl)cc2OC)c1 30857890 BEGNAHSPXMVISZ-LLVKDONJSA-N 365.813 3.772 0 40 FHAB Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2C(=O)C2CCC2)n1 72376987 QDMZGIZBUWRGJZ-KRWDZBQOSA-N 354.429 3.719 0 40 FHAB O=C([C@@H]1C[C@]12CCc1ccccc12)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 553040343 ADQRARZFRDWHCL-WGWBVWISSA-N 373.496 3.922 0 40 FHAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)[C@@H](C)Oc2cccc(Cl)c2)C1 216324758 IQZFMELLLJIXEM-OWCLPIDISA-N 352.906 3.592 0 40 FHAB N[C@@H]1C(=O)N(c2ccc(Br)cc2)[C@@H]1c1cccc(Cl)c1 72227306 GPKMRNYMPWWSLH-UONOGXRCSA-N 351.631 3.518 0 40 FHAB COc1ccccc1N1CCN(C(=O)CCc2ccc(Cl)cc2)CC1 78231186 BODGBZHZJJMQPB-UHFFFAOYSA-N 358.869 3.630 0 40 FHAB CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224805424 SYXNZLVOHBNJFD-UHFFFAOYSA-N 369.870 3.881 0 40 FHAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1 223785558 AFLJLEKWORBHCK-RBUKOAKNSA-N 364.474 3.986 0 40 FHAB Cn1c(CN2CCN(Cc3cccc(Cl)c3)CC2)nc2ccccc21 49372159 YUYRTPKZDJAMRW-UHFFFAOYSA-N 354.885 3.545 0 40 FHAB CCc1ccc(OCCNC(=O)[C@@H](CC)Oc2cccc(OC)c2)cc1 224464369 GNKWWLFLIZLLMJ-HXUWFJFHSA-N 357.450 3.610 0 40 FHAB C[C@@H](NC(=O)Cn1ccc(=O)c2ccc(Cl)cc21)c1ccc(F)cc1 225737371 MWGQTTBQFKNQGA-GFCCVEGCSA-N 358.800 3.671 0 40 FHAB COC(=O)[C@H]1CC(=O)N(c2cc(-c3nc4ccccc4s3)ccc2C)C1 45886772 UMUOEYSGJRKJIY-AWEZNQCLSA-N 366.442 3.798 0 40 FHAB CCOc1ccc(C(=O)NCCN2CCC(c3cccs3)CC2)cc1 77103965 BJYHLVOGVCELIP-UHFFFAOYSA-N 358.507 3.756 0 40 FHAB O=C(Nc1scnc1C1CC1)N1CCC[C@](CO)(Cc2ccccc2)C1 578691935 MNBKIABZXBVRJG-FQEVSTJZSA-N 371.506 3.870 0 40 FHAB O=C(N[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21)c1n[nH]c2c1CCC2 96118408 GDSKVLYFVBCWDY-INIZCTEOSA-N 354.841 3.841 0 40 FHAB O=C(NCc1cccs1)[C@@H]1C[C@]12CCN(C(=O)c1cccc(Cl)c1)C2 96227624 SLZVDFVDGWGHEI-LPHOPBHVSA-N 374.893 3.570 0 40 FHAB CN(C)CCN1CCC2(CC1)C[C@@H](NCc1cccs1)c1ccccc12 96241441 OKZOBKJZKFTJEG-OAQYLSRUSA-N 369.578 3.878 0 40 FHAB Cc1cc(Nc2nc(C)cs2)nc([C@@H]2CCN(Cc3cccnc3)C2)n1 257304852 SNJXCPHBUWGPQE-MRXNPFEDSA-N 366.494 3.678 0 40 FHAB CN1CCC[C@@]2(C)[C@@H]1CCCCN2C(=O)c1cccnc1-c1cncs1 257218619 DDUUGXDIZUXLQP-PXNSSMCTSA-N 370.522 3.684 0 40 FHAB Cn1cc(C(=O)CCC(=O)N[C@@H]2CCC(C)(C)C[C@H]2c2ccccc2)cn1 1636379911 BGFDDUSUOIRCOR-RBUKOAKNSA-N 367.493 3.862 0 40 FHAB Cc1cc(S(=O)(=O)NC[C@H](O)c2cccc3ccccc23)sc1C 1655975767 UUMHMOVAAOJABU-KRWDZBQOSA-N 361.488 3.530 0 40 FHAB C[C@@H]1CN(C(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)C[C@]1(C)CO 666773400 IDFLSRFTWDEGEC-WDBKCZKBSA-N 364.795 3.603 0 40 FHAB Cc1cc(C)n([C@@H](CNC(=O)Cc2ccc(F)cc2)c2ccsc2)n1 575613638 IXFCTYMAFCXENY-SFHVURJKSA-N 357.454 3.649 0 40 FHAB O=C(Nc1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1)c1ccccc1 5899590 LAAZFAYKNOBYRO-UHFFFAOYSA-N 373.456 3.971 0 40 FHAB Cc1ccccc1C1(O)CCN(Cc2c[nH]nc2-c2ccc(O)cc2)CC1 12116817 AORAUALJAMYVPA-UHFFFAOYSA-N 363.461 3.574 0 40 FHAB O=C(Nc1ccc(-c2ocnc2C(=O)N2CCCC2)cc1)c1cccs1 12185605 FGYXSBLHBHCXEK-UHFFFAOYSA-N 367.430 3.891 0 40 FHAB CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccc(F)cc2)NC(=S)N1 12601698 OWIRYIHIRUAYQW-KRWDZBQOSA-N 355.438 3.566 0 40 FHAB O=C(Nc1cc(Cl)ccc1-n1cncn1)c1cc(F)c(F)c(F)c1F 12903874 OURSBARFPQCPAG-UHFFFAOYSA-N 370.693 3.729 0 40 FHAB COc1ccccc1NC(=O)Cc1csc(NCCc2ccccc2)n1 13998669 QKTVODXVSTUBFQ-UHFFFAOYSA-N 367.474 3.988 0 40 FHAB O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1cccc(Cl)c1 14004921 FCWALCKPVNVFBR-HNNXBMFYSA-N 358.825 3.501 0 40 FHAB COC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 14209546 DCVYFMIKTQVAFB-UHFFFAOYSA-N 368.364 3.839 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 14871177 QRRYDAATARBFJY-CQSZACIVSA-N 360.841 3.583 0 40 FHAB O=C(N[C@@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccccc1)c1ccccc1 19369344 ZIKMQMLCWQMXJH-FQEVSTJZSA-N 373.456 3.751 0 40 FHAB Cc1cc(C)n(CC(=O)N[C@H](Cc2ccsc2)c2nc(C)c(C)s2)n1 19573439 SCGPPASWXYTPDN-MRXNPFEDSA-N 374.535 3.735 0 40 FHAB CC(C)OC(=O)NC1CC2(CCN(Cc3ccc(F)cc3F)CC2)C1 2056226578 VIDSTRGOPUSWAZ-UHFFFAOYSA-N 352.425 3.844 0 40 FHAB CCCCNc1nc(SCC(=O)Nc2cc(C)on2)nc2ccccc12 2941555 CBQSCIGHFMOYAY-UHFFFAOYSA-N 371.466 3.869 0 40 FHAB CCN1CCc2c(sc(NC(=O)c3ccc(C)c(C)c3)c2C(=O)OC)C1 4223519 RTEDRSFTSGMNCG-UHFFFAOYSA-N 372.490 3.782 0 40 FHAB CC(C)(C)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2 5136644 WXRVCQSFGBWTHF-UHFFFAOYSA-N 372.490 3.813 0 40 FHAB O=C(Cc1ccc(F)cc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 5268344 JHKSQANJUWUGFA-UHFFFAOYSA-N 370.405 3.902 0 40 FHAB COc1ccc(CC(=O)NC[C@@H](c2cccc3ccccc23)N(C)C)cc1 10330379 DXMXORQXAMKKEF-QFIPXVFZSA-N 362.473 3.810 0 40 FHAB Cc1ccc(CC(=O)N2[C@H]3CC[C@H]2CC(n2cc(C(C)(C)C)nn2)C3)cc1 1775975606 KGCZTGNNSUFBFU-ROUUACIJSA-N 366.509 3.821 0 40 FHAB O=C(/C=C/c1cccs1)NC[C@H]1CCCN1c1nc2ccccc2o1 206770983 RQOMEBJDOKDUQR-ATWMFIQVSA-N 353.447 3.688 0 40 FHAB Cc1nccn1[C@H]1C[C@H]2CN(C3CCCC3)C[C@H]2C[C@@H]1Oc1ccccn1 2332242678 HTZLQOPVYLVRDG-YHELAOLJSA-N 366.509 3.860 0 40 FHAB O=C(Nc1ccccc1SCC(F)(F)F)[C@@H]1CC(=O)N(CC2CC2)C1 40073970 CXPKWOJJZWBORP-GFCCVEGCSA-N 372.412 3.538 0 40 FHAB COc1cc(CN[C@H](C)[C@H]2CCCO2)ccc1OCc1c(C)noc1C 30908431 GIKJWFLRUICSBJ-RDTXWAMCSA-N 360.454 3.536 0 40 FHAB O=C(NCCc1ccc2c(c1)OCO2)c1cc(C2CC2)nc2ccccc12 32741227 ZWHOOHOHOYDCQA-UHFFFAOYSA-N 360.413 3.813 0 40 FHAB CSc1nc2cc(S(=O)(=O)NCc3ccccc3F)ccc2s1 645774 HRYPKIXFSPWGFJ-UHFFFAOYSA-N 368.480 3.636 0 40 FHAB CC(C)OC(=O)C1=C(N)S[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 705857 BSLGUYDUCVWHIZ-APWZRJJASA-N 367.470 3.890 0 40 FHAB O=c1oc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2s1 950307 XZLJGIAEERMHCG-UHFFFAOYSA-N 357.412 3.809 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 994527 KPAWMSOGCXCNBT-ZRDIBKRKSA-N 355.390 3.532 0 40 FHAB Cc1cc(C)n([C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(=O)n1 1994284 IXONXHBTBJIBNJ-JTQLQIEISA-N 373.762 3.732 0 40 FHAB CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1OC 2360944 IFNLVECWWFLDHI-KBMIEXCESA-N 363.394 3.782 0 40 FHAB CCOc1ccc(-c2nn3c(-c4ccc(OC)cc4)nnc3s2)cc1 2371487 VZMNXENJPGCSNA-UHFFFAOYSA-N 352.419 3.927 0 40 FHAB CC(C)CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccn1 2380027 BDRVQEMFJKLJAO-UQBPGWFLSA-N 362.410 3.805 0 40 FHAB CCc1cccc(C)c1NC(=O)CSc1nnc(C2CCCCC2)n1N 2387167 AYZNHCWKIQYPPB-UHFFFAOYSA-N 373.526 3.641 0 40 FHAB CCCNC(=O)COC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12 2629593 NOEMXBVXBJQOBM-UHFFFAOYSA-N 362.429 3.893 0 40 FHAB COc1ccc(NC(=O)CSc2nccn2-c2ccc(F)cc2)cc1 2723632 JWSNZMQBOUACOF-UHFFFAOYSA-N 357.410 3.751 0 40 FHAB CCc1ccc(C(=O)CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)cc1 3263195 YFRYPYSIESANOU-OAHLLOKOSA-N 350.418 3.597 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)O 4018761 PRKZFRQGWUQYOG-FRXJQHJJSA-N 355.478 3.993 0 40 FHAB CC1=NN(C(=O)c2ccccc2Br)[C@@](O)(c2ccccc2)C1 4142698 YSTLSNHHEXAWNY-KRWDZBQOSA-N 359.223 3.516 0 40 FHAB Cc1ccc(-n2ncc3c(=O)n(Cc4c(F)cccc4Cl)cnc32)cc1 4165861 OZFORZMNUDDBLA-UHFFFAOYSA-N 368.799 3.731 0 40 FHAB Cc1ccccc1-c1nsc(SCC(=O)NCc2ccccc2)n1 4167482 OUAQYZRXPFHMOE-UHFFFAOYSA-N 355.488 3.922 0 40 FHAB CCOc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(C)=O)cc1 4317745 CTHZDDMILKGADQ-IBGZPJMESA-N 368.433 3.800 0 40 FHAB CC1(C)[C@]2(C(=O)Nc3ccc(F)cc3Br)CC[C@@]1(C)C(=O)O2 4808959 NWYTVZOHIKJKTI-JKSUJKDBSA-N 370.218 3.649 0 40 FHAB COc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)cc1 5136313 NSBOCPNICOJLIP-UHFFFAOYSA-N 352.434 3.883 0 40 FHAB Cc1ccccc1-n1nnnc1SCCCC(=O)c1ccc(F)cc1 5353745 LYQCFLCBSAUWOG-UHFFFAOYSA-N 356.426 3.865 0 40 FHAB CN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccccc1 5555114 JYPRTKVDJXINDG-OAHLLOKOSA-N 370.202 3.731 0 40 FHAB O=C(CSc1nnc(-c2ccco2)o1)Nc1ccc(F)c(Cl)c1 5814027 JCZWOQDOYHCLBA-UHFFFAOYSA-N 353.762 3.853 0 40 FHAB Cc1ccc(NC(=O)CN(C)C(=O)c2nc(-c3ccccc3)oc2C)cc1 5937528 QWRSCSLNGJMAGO-UHFFFAOYSA-N 363.417 3.669 0 40 FHAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O 6327920 HDTHFVAVJZPTOQ-IZZDOVSWSA-N 374.245 3.981 0 40 FHAB CCOC(=O)[C@@H]1CCCN(C(=O)CCSc2ccc(Cl)cc2)C1 6350019 TTZMOGDDPVIQQZ-CYBMUJFWSA-N 355.887 3.624 0 40 FHAB O=C(NCC1CCN(C(=O)Nc2ccccc2)CC1)Nc1ccccc1 6475593 JOWBBZPLOJFKND-UHFFFAOYSA-N 352.438 3.752 0 40 FHAB O=c1/c(=C/C=C\c2ccccc2)sc2nc(-c3cccc(Cl)c3)nn12 6495810 UFZQUMWYIAJWMM-NQTKTJBGSA-N 365.845 3.684 0 40 FHAB C[C@@H]1CCN(C(=O)COc2ncnc3ccccc23)c2ccccc2S1 6553599 OFEZAISNPHAGDG-CQSZACIVSA-N 365.458 3.926 0 40 FHAB O=C(Cn1nnc2ccccc21)N(CCc1ccccc1)Cc1ccccc1 6652477 LXWPBMNHXIVJJN-UHFFFAOYSA-N 370.456 3.703 0 40 FHAB CCOC(=O)[C@]1(c2c(C)cc3ccccn23)Sc2ccccc2NC1=O 6787005 YJUITVZDMSPORH-HXUWFJFHSA-N 366.442 3.751 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cc(=O)c3cc(CC)ccc3o2)cc1 6811291 LYSAURQRQIIGQF-UHFFFAOYSA-N 365.385 3.784 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cc1 7247541 LGYAIFSCEJRSKI-UHFFFAOYSA-N 371.380 3.729 0 40 FHAB Cc1ccc(NC(=O)CSCC(=O)NCc2cccc(Cl)c2)cc1 8034590 JHJVTPHZWRFQFF-UHFFFAOYSA-N 362.882 3.637 0 40 FHAB CCn1nnc2cc(C(=O)Nc3ncc(Cc4ccccc4)s3)ccc21 8343594 LXCMDDLPENYEBH-UHFFFAOYSA-N 363.446 3.751 0 40 FHAB C[C@H]1CCc2sc(C(=O)OCC(=O)N[C@H](C)c3ccccc3)cc2C1 8389393 GIMMRHLMMVVQTM-UONOGXRCSA-N 357.475 3.907 0 40 FHAB CCCc1cc(=O)[nH]c(SCc2cc(=O)oc3c(C)c(C)ccc23)n1 8692304 HLITWPMVDCSQQC-UHFFFAOYSA-N 356.447 3.738 0 40 FHAB C[C@H](Sc1nnc2n(C)c(=O)c3ccccc3n12)c1ccc(F)cc1 9157515 OQXSSNMKPZKXPD-NSHDSACASA-N 354.410 3.574 0 40 FHAB COc1ccc([C@@H](NC(=O)Nc2cccc(Cl)c2)c2nccn2C)cc1 9338086 JFRJSYINLKIANA-QGZVFWFLSA-N 370.840 3.993 0 40 FHAB COc1cccc(NS(=O)(=O)c2ccc(-c3[nH]nc(C)c3C)s2)c1 9686636 MZFSMASLONUKCY-UHFFFAOYSA-N 363.464 3.564 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)N(Cc1cccs1)C[C@H]1CCCO1 9977194 AMZSMIZRIOAMIK-CQSZACIVSA-N 360.435 3.690 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)/C=C/c1ccc(N2CCCC2=O)cc1 11515472 XESGYLDVURIGER-WSYSLRRZSA-N 364.445 3.713 0 40 FHAB NC(=O)N[C@@H](CC(=O)OCc1ccccc1C(F)(F)F)c1ccccc1 11939429 XXRCVLAMURWLKD-HNNXBMFYSA-N 366.339 3.548 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(N2CCOCC2)cc1 12642058 SGBWNCGCSPFBLL-UHFFFAOYSA-N 365.408 3.771 0 40 FHAB O=C1C[C@H](C(=O)Nc2cccc(Br)c2)c2ccc(F)cc2N1 12754639 BYURNQASHNHPAV-ZDUSSCGKSA-N 363.186 3.653 0 40 FHAB Cc1cccc(NC(=O)CN(C)CCC(=O)Nc2cccc(Cl)c2)c1C 12788132 PSYBDRSTJLAGPC-UHFFFAOYSA-N 373.884 3.856 0 40 FHAB C[C@H](c1ccc(F)cc1)N(C)CC(=O)Nc1ccc(N2CCCC2=O)cc1 12789469 ZECKBHVOBYAKDO-OAHLLOKOSA-N 369.440 3.584 0 40 FHAB COc1cc2nc(NC(=O)C3(c4ccccc4)CC3)sc2cc1OC 12953455 YNAGSLZURFZRGF-UHFFFAOYSA-N 354.431 3.984 0 40 FHAB C[C@H](NCc1ccccc1Cn1cccn1)C(=O)Nc1ccc2c(c1)CCC2 12974361 IOPYAYMWOYNSSO-KRWDZBQOSA-N 374.488 3.537 0 40 FHAB CCc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)c1 13056882 FHQWEGKOEWVILD-CQSZACIVSA-N 372.852 3.903 0 40 FHAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)N(C)Cc1cccc(Cl)c1Cl 16376434 HHSJJDLIELIRFO-LBPRGKRZSA-N 369.296 3.803 0 40 FHAB CCOc1ccc(NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 16506495 YPWSWVBXNYAUPF-UHFFFAOYSA-N 363.417 3.709 0 40 FHAB Clc1ccc(-c2ccc(CNCCc3nnc4ccccn34)o2)cc1 17319010 KJWQJLJMCGRIKL-UHFFFAOYSA-N 352.825 3.975 0 40 FHAB O[C@](/C=C/c1ccc(Br)cc1)(Cn1ccnc1)c1ccncc1 18191408 RFONFZXETRHMQH-KRZKXXONSA-N 370.250 3.642 0 40 FHAB C[C@@H](C(=O)N1CCC[C@H](COc2ccccc2F)C1)n1cc(Cl)cn1 19078253 MPWVCQUTRREFPD-KBPBESRZSA-N 365.836 3.554 0 40 FHAB O=C(C1CCCC1)N1C[C@@H]2CCCCN(Cc3ccc(F)c(F)c3)[C@@H]2C1 19292941 UOOGYKDYRNTMDL-FXAWDEMLSA-N 362.464 3.968 0 40 FHAB Cc1oc2c(c1C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C)CCCC2 19581339 HXOZAQDNOMDEQZ-IBGZPJMESA-N 367.424 3.859 0 40 FHAB CCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1cccc(Cl)c1)C3 20796357 ONFRRILHKFVKOO-NSHDSACASA-N 358.854 3.802 0 40 FHAB CCc1n[nH]c(S[C@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)n1 21588315 ULGBHOWITBSUNW-MRVPVSSYSA-N 373.463 3.778 0 40 FHAB CC[C@H](NS(=O)(=O)c1cccc(C(=O)OC)c1)c1ccc(Cl)cc1 24367586 GMUCCYZFEDMWQD-INIZCTEOSA-N 367.854 3.556 0 40 FHAB Cc1cccc(OCCNC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c1 24748590 OJVULHJXPJPHOH-QGZVFWFLSA-N 364.449 3.620 0 40 FHAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(-n2ccnc2)nc1 25285986 NOBKNQRSBIRAFI-OAQYLSRUSA-N 368.440 3.981 0 40 FHAB COc1ccc([C@@H](C)NC(=O)NCCOc2ccc(Cl)cc2)cc1F 25989998 GTMJOJIFHLSXDW-GFCCVEGCSA-N 366.820 3.927 0 40 FHAB CCN(CC)[C@H](CNC(=O)c1cc(=O)c2ccccc2o1)c1ccccc1 28402760 JFYMEUOTHQFLOG-GOSISDBHSA-N 364.445 3.606 0 40 FHAB Cc1nc(/C=C/C(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)cs1 29174373 LZYVYQGASSGLQH-IBDYFIJFSA-N 369.534 3.664 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)CCc1ccccc1F)c1ccccc1F 29999664 ISLNKXGSLBWRKW-IBGZPJMESA-N 355.388 3.537 0 40 FHAB Cc1ccccc1CC(=O)Nc1nc2cc3c(cc2s1)OCCCO3 32719664 NSSXVIBDTOHPOO-UHFFFAOYSA-N 354.431 3.947 0 40 FHAB Cc1noc2nc(C3CC3)cc(C(=O)O[C@H](C)C(=O)c3ccc(F)cc3)c12 32869361 FBHFCDAKWDALKO-LLVKDONJSA-N 368.364 3.976 0 40 FHAB O=C(NCc1ccccc1)[C@H]1Cc2ccccc2CN1Cc1ccc(O)cc1 36217801 MUEHDRCEFILVAE-HSZRJFAPSA-N 372.468 3.636 0 40 FHAB Cc1nc2cc(NC(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)ccc2o1 36395434 AUQFDWFLDOKHAF-XJKSGUPXSA-N 363.417 3.684 0 40 FHAB COc1ccc(-c2cc(C(=O)N3CCCCCC3)c3cnn(C)c3n2)cc1 36616088 DXPMJABLQOINRA-UHFFFAOYSA-N 364.449 3.660 0 40 FHAB O=C(NC1CCCC1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 40073454 SMMANBUMIHLBEB-HNNXBMFYSA-N 355.265 3.657 0 40 FHAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)Cc1cccc(F)c1 40108496 DFSJTBMEQKSJLQ-LBPRGKRZSA-N 350.231 3.878 0 40 FHAB CCCc1noc2nc(C3CC3)cc(C(=O)N3CCO[C@@H]4CCCC[C@@H]43)c12 46482643 AOQZPRYNOVYIDJ-ZWKOTPCHSA-N 369.465 3.836 0 40 FHAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(F)cc2Br)C1 47416752 VFHXSIRHPMZCBX-CHWSQXEVSA-N 371.294 3.686 0 40 FHAB Cc1cc(C)nc(SCC(=O)Nc2ccc(N(C)C)c(Cl)c2)n1 48243288 NPLVUPANVLZGAL-UHFFFAOYSA-N 350.875 3.544 0 40 FHAB COc1cc([C@@H](C)NC(=O)[C@@H]2CCCO2)ccc1OCc1ccccc1 48367406 ZVOTWDZTXSPSSR-BEFAXECRSA-N 355.434 3.630 0 40 FHAB N#CCOc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc1 50547978 JVWJTVGPDGZBNL-WJDWOHSUSA-N 351.387 3.683 0 40 FHAB CC[C@@H](NC(=O)N[C@H]1CCCN(CC)C1)c1ccccc1OC(F)F 52526924 WAAUDJCZRCGXOQ-DZGCQCFKSA-N 355.429 3.523 0 40 FHAB C[C@@H](Nc1cc(C(=O)N2CCOCC2)c2ccccc2n1)c1cccs1 53214732 TYTNLDLPKKEONL-CQSZACIVSA-N 367.474 3.942 0 40 FHAB CCCn1c(SCC(=O)Nc2ccc(C)cc2)nc2ccsc2c1=O 57425121 PFKVMRAPRURYQO-UHFFFAOYSA-N 373.503 3.907 0 40 FHAB C[C@H](N[C@H](C)C(=O)NC(=O)NC1CCCCC1)c1ccc(Cl)cc1 57679520 GQCDOMQAWPVHTN-QWHCGFSZSA-N 351.878 3.538 0 40 FHAB CCN1CCN(c2ccc(N[C@H](C)c3nc(C(C)(C)C)no3)c(C)c2)CC1 58173339 SYKLLNRXCSGWHT-MRXNPFEDSA-N 371.529 3.991 0 40 FHAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCc1ccccc1CO 58216926 CJMWEMCIZZCDDV-UHFFFAOYSA-N 357.404 3.549 0 40 FHAB Cc1c(C(=O)Cn2nc(-c3cccs3)ccc2=O)c2ccccc2n1C 61721191 BCJUNFFFVNIOTH-UHFFFAOYSA-N 363.442 3.655 0 40 FHAB Cc1cc(C)cc(Oc2ccc(CNC(=O)c3ccc(O)nn3)cc2C)c1 63274081 MHGTZJYDUIEWNS-UHFFFAOYSA-N 363.417 3.830 0 40 FHAB O=C(Nc1cc(F)cc(N2CCOCC2)c1)c1ccc2c(c1)CCCC2 65487721 VPCORESPSHDVHW-UHFFFAOYSA-N 354.425 3.793 0 40 FHAB COc1cc(Cl)ccc1C(=O)OCC(=O)N[C@H](C)c1ccc(C)cc1 67198395 NVHUPLWPSFOIKZ-CYBMUJFWSA-N 361.825 3.691 0 40 FHAB O=C(NCc1ccccc1Cl)c1n[nH]nc1Nc1cccc(Cl)c1 67284081 KNDUNUYURAFUPN-UHFFFAOYSA-N 362.220 3.785 0 40 FHAB COC(=O)c1sc(-c2ccccc2Cl)cc1NC(=O)[C@H]1CCOC1 69357424 NPICWIJOQQAGEA-JTQLQIEISA-N 365.838 3.830 0 40 FHAB Cc1ccsc1C(=O)N[C@H]1CCCc2nc(-c3cccnc3)ncc21 71195788 JOSGAYBONBKRRI-INIZCTEOSA-N 350.447 3.716 0 40 FHAB CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccs1 71980443 WWTVKPNKYBVXQD-XYEKJYRLSA-N 351.468 3.606 0 40 FHAB C[C@@H](NS(=O)(=O)CC1CCCCC1)c1ccc(NC(=O)C2CC2)cc1 72230491 PFYVCSDRUFKMEN-CQSZACIVSA-N 364.511 3.596 0 40 FHAB COc1ccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)cc1OC 75106429 ZTJXHESDRZVNEO-AWEZNQCLSA-N 365.433 3.689 0 40 FHAB CC[C@](C)(CC(=O)OC)NCC(=O)Nc1ccccc1Oc1ccccc1 75110923 UMVHXRXVVQSSHJ-OAQYLSRUSA-N 370.449 3.739 0 40 FHAB Cc1csc(-c2nnc(NC(=O)C3(c4ccccc4)CCOCC3)o2)c1 77180419 UZKQIDWWDBFXAW-UHFFFAOYSA-N 369.446 3.793 0 40 FHAB O=C(NC[C@H](O)c1ccc2ccccc2c1)c1cc(-c2ccccc2)no1 78593562 IFNMTMFCCNLOLL-FQEVSTJZSA-N 358.397 3.958 0 40 FHAB O=C(CSc1ccc(O)cc1)N(Cc1ccccc1)CC1CCOCC1 79092907 PCFQNOSDCQFYRO-UHFFFAOYSA-N 371.502 3.940 0 40 FHAB COc1ccc(-c2n[nH]cc2[C@@H]2SCC(O)=Nc3c2c(C)nn3C)cc1 79502340 WQRSIBKGCKTHHR-KRWDZBQOSA-N 369.450 3.551 0 40 FHAB CN(C(=O)c1cccc(NC(=O)C2CCCCC2)c1)C1CCC(CO)CC1 83855517 KSXODUCZQCJIDY-UHFFFAOYSA-N 372.509 3.829 0 40 FHAB CCSc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1ccccc1 95953279 HOENEKXVFZQVOG-INIZCTEOSA-N 372.515 3.952 0 40 FHAB COC[C@@H]1COCCC12CCN(C(=O)c1cc3ccccc3s1)CC2 96106376 NJMZBGAEWMNLNA-MRXNPFEDSA-N 359.491 3.807 0 40 FHAB O=C(c1cc(Br)cs1)N1CCO[C@@H](c2ccccc2)C1 96120163 BSQFBPKJYRPQNO-CYBMUJFWSA-N 352.253 3.724 0 40 FHAB O=C(NCc1cccnc1)c1ccc2onc(-c3coc(C4CC4)n3)c2c1 96154293 KWSNIZFUHWYIEX-UHFFFAOYSA-N 360.373 3.685 0 40 FHAB NC[C@H]1CCC2(CCN(C(=O)c3ccc(-c4cccs4)cc3)CC2)CO1 96157041 UHRYABRLKODCGX-GOSISDBHSA-N 370.518 3.775 0 40 FHAB CCOc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CN)CC1 100750298 XQPLZJZQYOWTNX-FVJLSDCUSA-N 367.493 3.717 0 40 FHAB O=C(COC(=O)[C@H]1C[C@H]1c1ccco1)Nc1ccc(C(F)(F)F)cc1 128282480 CMVUGLOEEMXUQE-OLZOCXBDSA-N 353.296 3.584 0 40 FHAB CN1C(=O)CC[C@H](C(=O)Nc2cc(C3CCCC3)[nH]n2)[C@@H]1c1ccccc1 172335972 UHQKNIVCCVXLMD-JXFKEZNVSA-N 366.465 3.616 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 219329101 HNZLFHXXIWWHLK-KRWDZBQOSA-N 369.396 3.692 0 40 FHAB COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1ccccc1)CC(C)(C)O2 219490226 QBFHTDQDDVTKBQ-KBXCAEBGSA-N 355.434 3.881 0 40 FHAB CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F 222750750 FWNDMGZNRJXIRD-ROUUACIJSA-N 352.438 3.614 0 40 FHAB CCc1ccc(CC(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 223179620 ODBOAWYZYOPBPK-UHFFFAOYSA-N 355.825 3.811 0 40 FHAB CC1(C)CC(=O)Nc2ccc(C(=O)NCCCc3ccccc3F)cc21 223271351 LHVQXEDXRJQCBF-UHFFFAOYSA-N 354.425 3.808 0 40 FHAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccco2)cc1 223745537 ANDWLOCCMGOCDP-ZWKOTPCHSA-N 351.431 3.860 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 224884974 LSBLCWZZJJOJFR-NSHDSACASA-N 355.312 4.000 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)C(C)C)cc2)cc1 225199573 JDDGAYXKGXJYRX-HNNXBMFYSA-N 360.479 3.570 0 40 FHAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)N[C@@H](C)C(C)C 225204474 OWVGEEGEIQWKAQ-HNNXBMFYSA-N 360.479 3.570 0 40 FHAB COC1(C(=O)Nc2ccc(OCCN3CCC[C@@H](C)C3)cc2)CCCC1 225625983 CTSZYFRDWITRSD-QGZVFWFLSA-N 360.498 3.695 0 40 FHAB CC[C@@H](C)Oc1ccc(NC(=O)C2(OC)CCCCC2)cc1C(=O)OC 225805029 SGQQVNDLZWPVIK-CQSZACIVSA-N 363.454 3.938 0 40 FHAB CCOC(=O)N1CCC2(CC1)CC(=O)c1cccc(C(F)(F)F)c1O2 225827288 FWHYNUYKRHKOAF-UHFFFAOYSA-N 357.328 3.662 0 40 FHAB CCCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N(CC)CC 226276482 JSOWTCNMUCSFFP-UHFFFAOYSA-N 360.376 3.625 0 40 FHAB CCOC(=O)c1cc(Cl)c(OC(=O)c2ccc(OC)cc2)c(OC)c1 226307327 FTRPXCJCIPSOHR-UHFFFAOYSA-N 364.781 3.753 0 40 FHAB CC(C)(C)C(=O)N1CCC(c2cncc(-c3cccc(C(=O)O)c3)n2)CC1 257268396 MLMUCEBYDWRFOO-UHFFFAOYSA-N 367.449 3.594 0 40 FHAB C[C@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN1C(=O)c1ccccn1 257310023 UDKCOQQHSOHPQC-OAQYLSRUSA-N 365.408 3.951 0 40 FHAB COCCn1c(Cc2ccccc2)nnc1SCc1cccc(F)c1 409103447 BMZGMEIPDVLNGD-UHFFFAOYSA-N 357.454 3.947 0 40 FHAB COc1cc2c(cc1OC)[C@@H](NC(=O)c1cc3ccccc3n1C)CC2 524732411 ALXGXDLJXUFJGX-INIZCTEOSA-N 350.418 3.613 0 40 FHAB O=C(NCC1(Cc2nnc3ccccn23)CCCCC1)NC1CCCCC1 524733491 NQOVIEWWXFKMLP-UHFFFAOYSA-N 369.513 3.854 0 40 FHAB Cc1cccc(C(=O)N2CC3(C[C@H](OCc4cccc(C)n4)CS3)C2)c1 575405758 ZWNUZZLPDVKNMG-IBGZPJMESA-N 368.502 3.615 0 40 FHAB Fc1ccccc1C=C1CCN(Cc2nnc([C@H]3CCCOC3)o2)CC1 644248375 BXWUMCWMUAVDSN-KRWDZBQOSA-N 357.429 3.782 0 40 FHAB CCc1noc(C)c1C(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1 654202764 FLUWKAKFZDAMRW-UHFFFAOYSA-N 354.328 3.863 0 40 FHAB O=C(O)[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)C1 679392632 CMLSSADNSLIGCU-ZACQAIPSSA-N 354.450 3.765 0 40 FHAB Cn1cncc1C1CCN(C(=O)c2cccc(Oc3ccccn3)c2)CC1 1350942739 UNDBFLVDHHEKIY-UHFFFAOYSA-N 362.433 3.627 0 40 FHAB CCCC[C@@H](C)C(=O)NC1(C2CCN(c3ncnc4c3CCC4)CC2)CC1 1775992651 UGZBPOOVFNYKOG-MRXNPFEDSA-N 370.541 3.657 0 40 FHAB Cc1cccnc1OCC1CCN(C(=O)Nc2c(F)cccc2F)CC1 1775996212 BDAFLEUOYVVMKU-UHFFFAOYSA-N 361.392 3.991 0 40 FHAB Cc1csc(C(=O)N2CCC[C@]3(CC2)CN(Cc2ccoc2)CCO3)c1 2055793473 IQIFJVUFZDSQFD-FQEVSTJZSA-N 374.506 3.547 0 40 FHAB C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1C1CCN(C(=O)OC2CCCC2)CC1 2056225323 KWUAPPAZGICWES-LZQZEXGQSA-N 362.514 3.815 0 40 FHAB CC(=O)O[C@@H](COc1ccc(F)cc1)Cn1cnc2cc(C)c(C)cc21 644897 IJRUIMVVRXOVID-GOSISDBHSA-N 356.397 3.803 0 40 FHAB CC(=O)c1ccc(NC(=O)c2cccc(I)c2)cc1 682185 XMYCTSKUHKVDPK-UHFFFAOYSA-N 365.170 3.746 0 40 FHAB CCOC(=O)c1cc(-c2nnc(-c3ccccc3OC)o2)c(C)nc1C 720291 PTUVZRBBTKKTIZ-UHFFFAOYSA-N 353.378 3.601 0 40 FHAB Cc1ccc2cc(C)c3nnc(SCC(=O)NC(C)(C)C)n3c2c1C 903217 SSHAXLXUMUCVRL-UHFFFAOYSA-N 356.495 3.815 0 40 FHAB O=C1C[C@@H](C(=O)c2ccccc2)NC(Nc2ccc(Cl)cc2Cl)=N1 1051888 PIBMFKXZXYLQER-AWEZNQCLSA-N 362.216 3.533 0 40 FHAB C[C@H]1CCCN(C(=O)C2(NC(=O)Nc3cccc(F)c3)CCCCC2)C1 1344839 XCGDPHPWJJOIRA-HNNXBMFYSA-N 361.461 3.909 0 40 FHAB FC(F)(F)c1cc(N2CCCNCC2)c2cc(Br)ccc2n1 2243383 LYMSMOVYSJPGBI-UHFFFAOYSA-N 374.204 3.816 0 40 FHAB biogenic Cc1c(Br)c(C(F)F)nn1CC(=O)N1[C@@H](C)CCC[C@@H]1C 2778487 QDMYBVIRZVFQMJ-IUCAKERBSA-N 364.234 3.681 0 40 FHAB Cc1c(Cl)cccc1NC(=O)COC(=O)CCC(=O)c1cccs1 3314090 FLWMOOIEYRCDBY-UHFFFAOYSA-N 365.838 3.855 0 40 FHAB CCOCc1c(C(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)oc2ccccc12 3544399 BYOSFEGGPDMEEG-GJZGRUSLSA-N 373.449 3.916 0 40 FHAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Oc2ccccc2)cc1 3551491 IIXWFIBEIPWYOZ-UHFFFAOYSA-N 367.426 3.731 0 40 FHAB CCOc1ccc(C(=O)NCCc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 3911827 XZQKGSOSUVCHJR-UHFFFAOYSA-N 364.445 3.516 0 40 FHAB COc1ccc(N2C[C@H](NC(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 4373566 GDPMWCBZHTUKHG-CYBMUJFWSA-N 373.840 3.584 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)s2)c1 4562907 QDWUSXHTMYKLBN-JTQLQIEISA-N 351.811 3.788 0 40 FHAB CCOc1cc(CNc2ncc(-c3ccc4c(c3)OCO4)n2C)ccc1O 4678617 JSKSUXGAGBZDNQ-UHFFFAOYSA-N 367.405 3.532 0 40 FHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccs2)n2ncnc2N1 4716241 YIKVKRPCQNDXNT-QGZVFWFLSA-N 365.462 3.884 0 40 FHAB COc1cc(NC(=O)c2cc(-c3cccc(O)c3)on2)c(OC)cc1Cl 4881088 GQHXAADRYCODCC-UHFFFAOYSA-N 374.780 3.970 0 40 FHAB Cc1cc2c(=O)n(C)c(SCC(=O)c3ccc(Cl)s3)nc2s1 5001016 JMYGNQWKAJJFFQ-UHFFFAOYSA-N 370.908 3.993 0 40 FHAB Cc1cc(OCC(=O)Nc2ccnn2Cc2ccccc2)ccc1Cl 5256442 XRNDAKAUXBOZCB-UHFFFAOYSA-N 355.825 3.911 0 40 FHAB COC(=O)[C@H]1CS[C@@H](c2ccc(Cl)cc2)N1C(=O)c1ccccc1 5660418 GNDPXWULPZLZEP-WBVHZDCISA-N 361.850 3.769 0 40 FHAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)/C=C/c2ccco2)c1 6386470 FNCZPWLERQKAEK-ZHACJKMWSA-N 371.462 3.935 0 40 FHAB CCC(=O)Nc1ccc(C(=O)COC(=O)CCCc2cccs2)cc1 6395438 VSEHYEDQKDPKQB-UHFFFAOYSA-N 359.447 3.845 0 40 FHAB Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)n1 7048711 FMPUBLRQERVPCJ-QMMMGPOBSA-N 357.266 3.793 0 40 FHAB O=S(=O)(c1ccc(F)c(F)c1F)N1CCC(Cc2ccccc2)CC1 7308698 CLBUFGMJAPVEAF-UHFFFAOYSA-N 369.408 3.747 0 40 FHAB COCc1c(C(=O)Nc2cc(NC(C)=O)ccc2OC)oc2ccccc12 7758304 BDPJJMGTMBTMTH-UHFFFAOYSA-N 368.389 3.799 0 40 FHAB COc1ccc(-c2nc(CC(=O)Nc3nc4c(s3)CCC4)cs2)cc1 8116749 MRBYORMLTJGCTB-UHFFFAOYSA-N 371.487 3.945 0 40 FHAB Cc1ccc(F)cc1NC(=O)c1nn(-c2ccccc2Cl)c(C)cc1=O 8132091 SRVLSXLNFUAKDY-UHFFFAOYSA-N 371.799 3.894 0 40 FHAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2 8959143 DIMGCIXZFQXQQV-UHFFFAOYSA-N 354.406 3.695 0 40 FHAB Cc1ccc(NC(=O)CN(C)C(=O)Cc2ccc(C(F)(F)F)cc2)cc1 9458930 IHESOEWHORORRA-UHFFFAOYSA-N 364.367 3.653 0 40 FHAB COc1ccc(C(C)(C)C)cc1NC(=O)CSc1nc(C(C)C)n[nH]1 9497530 KPPXUCGHVFZUPN-UHFFFAOYSA-N 362.499 3.965 0 40 FHAB CC(C)(C)C(=O)Nc1nc(CC(=O)NCc2ccc(Cl)cc2)cs1 9659448 LQJWAMUUPAUZGK-UHFFFAOYSA-N 365.886 3.640 0 40 FHAB CCN(C(=O)[C@H](C)Sc1nnc(-c2ccncc2)o1)c1ccccc1 9691567 ONJHRAFMQCYYES-ZDUSSCGKSA-N 354.435 3.665 0 40 FHAB COc1ccc2[nH]cc(CCNC(=O)CSCc3ccccc3)c2c1 10146650 RZOKIOLPCSKDJT-UHFFFAOYSA-N 354.475 3.769 0 40 FHAB O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc3ccccc3n2)CC1 10445227 HKFSPIYZTZZVGY-UHFFFAOYSA-N 359.429 3.726 0 40 FHAB COc1ccc(C(=O)COC(=O)c2ccc(C)s2)cc1Br 10647572 CGAVBRGYPGDGJX-UHFFFAOYSA-N 369.236 3.867 0 40 FHAB C[C@@H]1Nc2ncnn2[C@H](c2cccs2)[C@@H]1C(=O)Nc1ccc(Cl)cc1 11694932 JHIMLQOTZNDHAE-COLVAYQJSA-N 373.869 3.651 0 40 FHAB C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)OC12CC3CC(CC(C3)C1)C2 12401798 XKRHHNLTSWRYOC-BZSISCHUSA-N 356.510 3.856 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)Cc1ccccc1Cl)CC3 12408653 OWBKXGULXIPYLR-UHFFFAOYSA-N 354.837 3.957 0 40 FHAB COc1ccccc1CCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1 12422184 JOAMIQXZIJWWBA-UHFFFAOYSA-N 370.836 3.905 0 40 FHAB CC(=O)c1ccc(N2CCN(C(=O)N[C@@H](C)c3ccccc3)CC2)c(F)c1 12532871 AHDBYJSAUBPFFQ-HNNXBMFYSA-N 369.440 3.621 0 40 FHAB Cc1ccc(-c2cc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)n[nH]2)cc1 13366583 PPAGFUVMCLWWBO-UHFFFAOYSA-N 374.488 3.964 0 40 FHAB COc1cc(C(=O)O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 13419540 MWUBBCLPLFJJPG-UHFFFAOYSA-N 370.188 3.718 0 40 FHAB CCOc1ccccc1C(=O)N[C@H](C)c1nc(-c2ccccc2C)no1 13495331 MYYXLFFTXKZIFS-CQSZACIVSA-N 351.406 3.935 0 40 FHAB COc1cccc(C(=O)COC(=O)c2csc(-c3ccsc3)n2)c1 14180890 YCFBSKJUVCBKFZ-UHFFFAOYSA-N 359.428 3.920 0 40 FHAB C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)OCO2 14254143 PPRLBYVRNXEPMF-CYBMUJFWSA-N 361.463 3.752 0 40 FHAB O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc2ccccc2c1 16479373 BXCIYKNPYOFTGQ-UHFFFAOYSA-N 363.436 3.740 0 40 FHAB COc1cccc(Nc2nn3c(=O)c4cc(Cl)ccc4nc3s2)c1 16960526 HQXZWWQFCCDQRK-UHFFFAOYSA-N 358.810 3.710 0 40 FHAB COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1OC 16986077 IPQZXOHPKUXYRC-UHFFFAOYSA-N 359.397 3.530 0 40 FHAB CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccnc2)C1 19081987 WTBFKTLBPMKSLY-ICSRJNTNSA-N 366.509 3.592 0 40 FHAB CN1CCCC[C@@H]1c1ncc2c(n1)CCN(Cc1ccc(Cl)c(F)c1)C2 19589004 DMNHPKJFVMXOBG-LJQANCHMSA-N 374.891 3.984 0 40 FHAB CN(C)c1ccc2cc(C(=O)N3CCc4[nH]c5ccccc5c4C3)[nH]c2c1 19656472 DFZXEKAWSCWTFZ-UHFFFAOYSA-N 358.445 3.914 0 40 FHAB COc1ccc(-c2cnc(N(C)C)nc2C2CCN(CC3CC3)CC2)cc1 19695167 VBIAPZRXOFPZGO-UHFFFAOYSA-N 366.509 3.808 0 40 FHAB COC(=O)c1cc(CN(C)C(=O)c2ccc3[nH]c(C)c(C)c3c2)oc1C 21966008 HTOLMAJOIVLDDD-UHFFFAOYSA-N 354.406 3.745 0 40 FHAB O=S(=O)(CCSc1nccn1-c1cccc(F)c1)c1ccccc1 22082066 NOMOFICTABLKBW-UHFFFAOYSA-N 362.451 3.577 0 40 FHAB CCN(CC)[C@H](CNC(=O)c1cc(C2CC2)[nH]n1)c1ccccc1Cl 23081611 LOQIQCVRUGDZGD-GOSISDBHSA-N 360.889 3.753 0 40 FHAB COc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCC(C)CC2)cc1 23157254 MQEUCYRADWUTLD-MRXNPFEDSA-N 372.494 3.635 0 40 FHAB CCOC(=O)c1cnn(-c2ccc(NC(=O)c3occc3C)cc2)c1C 24572864 TXXGJCCHKUOUBJ-UHFFFAOYSA-N 353.378 3.511 0 40 FHAB CCOC(=O)c1cc2cc(C(=O)Nc3nc4c(s3)CCC4)ccc2[nH]1 24862727 LIBVDRBECCCKDF-UHFFFAOYSA-N 355.419 3.542 0 40 FHAB O=C(NCc1ccccn1)c1nc(-c2ccc(F)cc2)n2c1CCCCC2 24962575 QQPQNDYKUCOODL-UHFFFAOYSA-N 364.424 3.741 0 40 FHAB CC(=O)c1cccc(NC(=O)c2ccccc2SCC(=O)NC2CC2)c1 25054750 LLAJBAMSUSTIPF-UHFFFAOYSA-N 368.458 3.512 0 40 FHAB O=c1ccc2cc(S(=O)(=O)Oc3ccc4ccccc4c3)ccc2o1 25671989 GAWQSBUZZKNVNT-UHFFFAOYSA-N 352.367 3.714 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccccc2C)cc1 26311129 CJQDHMGJIBFLTQ-QGZVFWFLSA-N 360.523 3.876 0 40 FHAB Cc1cccc(OCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)c1 27344173 UMTRXLZWTFIHSX-FQEVSTJZSA-N 372.896 3.981 0 40 FHAB Cc1cccc(C2(C(=O)NCc3ccc(N4CCCC4=O)cc3)CCC2)c1 30399053 ZQALJVLKYOBWDA-UHFFFAOYSA-N 362.473 3.860 0 40 FHAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(N3CCCC3)cn2)cc1 30854333 FVQMSGOQVRXLAM-KDOFPFPSSA-N 364.449 3.529 0 40 FHAB Cc1cc(C)n(-c2ccc(CCNC(=O)Cc3cccc(F)c3)cc2)n1 32930416 SHYOAOIDILNRAQ-UHFFFAOYSA-N 351.425 3.530 0 40 FHAB O=C(c1ccccc1F)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)no1 33860138 ANHHKBNWOLRORN-INIZCTEOSA-N 355.344 3.992 0 40 FHAB Cc1cc(C(=O)Nc2nnc(-c3ccc(Br)o3)o2)c(C)o1 35586419 UQTWRENGTQZWAB-UHFFFAOYSA-N 352.144 3.554 0 40 FHAB CSc1ccc([C@@H]2CC(O)=Nc3nc(N4CCOCC4)sc32)cc1 36354115 KJFVPTOTYPAYGS-ZDUSSCGKSA-N 361.492 3.825 0 40 FHAB COC(=O)COc1ccccc1[C@H]1CC(=O)Nc2c1ccc1ccccc21 36612581 SUTNCOUMZSJEOW-GOSISDBHSA-N 361.397 3.866 0 40 FHAB O=C(CCS(=O)(=O)Cc1ccc(Cl)cc1Cl)Nc1ccccc1 40070057 BALJUFRHSUPBBT-UHFFFAOYSA-N 372.273 3.937 0 40 FHAB O=C(/C=C/c1c(F)cccc1F)Nc1cccc(CN2CCCC2=O)c1 40106578 XGTCYKDCUOIYLT-MDZDMXLPSA-N 356.372 3.739 0 40 FHAB CC[C@@H](C)Cc1c(C)sc2nc(SCCn3cccn3)[nH]c(=O)c12 40157826 OFYFHASFWDETGX-LLVKDONJSA-N 362.524 3.870 0 40 FHAB CC1(C)CCCC(C)(C)N1C[C@H](O)COCCOc1ccc(F)cc1 41690233 YNNYDKWLKIMXDU-KRWDZBQOSA-N 353.478 3.625 0 40 FHAB O=C(COc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1)N1CCCC1 44974426 XZGSXQFSLGKQIX-UHFFFAOYSA-N 367.380 3.544 0 40 FHAB Cc1c([C@@H](C)NC(=O)Nc2cc(C(N)=O)ccc2F)oc2ccccc12 47875830 DVLDTSWDHOXVJA-LLVKDONJSA-N 355.369 3.862 0 40 FHAB O=C(Nc1cc(F)ccc1C(=O)N1CCc2ccccc2C1)c1ccoc1 48167535 LPQWDWSSLAFMGT-UHFFFAOYSA-N 364.376 3.870 0 40 FHAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1cccc(Cn2ccnc2)c1 48288451 KUDOUDWBAPPHCE-APWZRJJASA-N 356.470 3.648 0 40 FHAB COc1ccc(Cl)cc1-n1nnc(C(=O)NC2CCC(C)CC2)c1C 51317545 OTYKIESTAWKREK-UHFFFAOYSA-N 362.861 3.546 0 40 FHAB CCN(Cc1cccc(NS(=O)(=O)/C=C/c2ccc(C)cc2)c1)C(C)=O 55587300 DHLLVSNRNUYMLY-OUKQBFOZSA-N 372.490 3.776 0 40 FHAB O=C(Cn1cccc1-c1nc(-c2ccc(F)cc2)no1)Nc1ccccc1 57486561 XAWJQRFKIXDJKP-UHFFFAOYSA-N 362.364 3.983 0 40 FHAB O=C(NCCOc1cccc(Cl)c1)[C@H]1CCCN(Cc2ccccc2)C1 58173176 AORKSWVWUYNTSG-SFHVURJKSA-N 372.896 3.747 0 40 FHAB COC(=O)c1cc(C(C)C)ccc1NCc1cc(=O)n2cc(C)ccc2n1 60875874 WSQLQEUDKXZOLS-UHFFFAOYSA-N 365.433 3.525 0 40 FHAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cn1 65487782 LXWFORMPQRNAAK-UHFFFAOYSA-N 365.355 3.962 0 40 FHAB Cc1noc(C)c1CCC(=O)N[C@@H]1CCc2c(Br)cccc21 68033206 IRAYJXQCKDCMBB-MRXNPFEDSA-N 363.255 3.790 0 40 FHAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1nc(-c2cccs2)no1 78579686 IKEVDBQCMFRZPD-CYBMUJFWSA-N 357.435 3.580 0 40 FHAB COc1cc(CNC[C@@H](c2ccco2)N2CCCC2)cc(Cl)c1OC 78940974 AQJFTYMDOIQEOL-INIZCTEOSA-N 364.873 3.877 0 40 FHAB CC[C@@H](CCS(=O)(=O)c1ccccc1)NC(=O)c1ccc(Cl)cc1 80345745 NMVUTSAZWCLVRG-INIZCTEOSA-N 365.882 3.712 0 40 FHAB COc1ccccc1C(=O)Nc1ccc(I)cc1F 84847275 NEQGZEMMFACOQY-UHFFFAOYSA-N 371.149 3.691 0 40 FHAB Cn1ccnc1SCC1CCN(C(=O)c2c(F)cccc2Cl)CC1 90608174 IUFAPTJALZZODZ-UHFFFAOYSA-N 367.877 3.857 0 40 FHAB CN(C)c1cc(C(F)(F)F)cc(-c2ccc(-c3cc[nH]c(=O)n3)cc2)n1 91695773 GONOUZLUUNIYNE-UHFFFAOYSA-N 360.339 3.584 0 40 FHAB CCC(=O)N1N=C(c2cccc(NC(C)=O)c2)C[C@H]1c1ccc(F)cc1 95116623 RXGMSSFVLVEBNA-IBGZPJMESA-N 353.397 3.872 0 40 FHAB C[S@@](=O)Cc1cccc(C(=O)N[C@H]2CCSc3c(F)cccc32)c1 95347439 KKFHAZJMIPLJGG-FYSMJZIKSA-N 363.479 3.671 0 40 FHAB Cc1cnc(CNC(=O)c2cc3c(c4ccccc4n3C(C)C)n2C)cn1 96037339 WMEWVNNBCJKZRP-UHFFFAOYSA-N 361.449 3.742 0 40 FHAB CN(C)C(=O)C[C@@H]1CC2(CCN(Cc3ccoc3)CC2)Oc2ccccc21 96053145 XVQCVGXTRCBQSH-GOSISDBHSA-N 368.477 3.659 0 40 FHAB O=C(CSc1nnc(-c2ccc(Cl)cc2)[nH]1)N[C@H]1C[C@@H]2CC[C@@H]1C2 100276252 CHWABAWPEQSGGM-QKCSRTOESA-N 362.886 3.522 0 40 FHAB N[C@@H](C(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 199809604 IDRUGDMUZDSGDX-OAQYLSRUSA-N 363.413 3.929 0 40 FHAB CCOc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1Cl 223253097 RCEBPJZBQDDZEA-LBPRGKRZSA-N 351.855 3.879 0 40 FHAB CC(C)Sc1nnc(NC(=O)COc2ccc3c(c2)CCCC3)s1 223292797 ALLOGUGLLLUWNF-UHFFFAOYSA-N 363.508 3.935 0 40 FHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1nnc(SC(C)C)s1 223302483 JRKAEDDWVLJDLC-CYBMUJFWSA-N 367.496 3.843 0 40 FHAB Cc1ccc(OCCNC(=O)c2ccc(N3CCCC3=O)cc2)cc1Cl 224159138 WGRFGVZKPLTHEJ-UHFFFAOYSA-N 372.852 3.584 0 40 FHAB CCc1ccccc1O[C@@H](C)C(=O)NCc1ccccc1CN1CCCC1 224787032 BBLIVHWBMKBSFV-SFHVURJKSA-N 366.505 3.929 0 40 FHAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 225057304 UWPWNEXONUUZDM-GJZGRUSLSA-N 357.450 3.911 0 40 FHAB COc1cccnc1NC(=S)NCCCc1ccc(OC(C)C)cc1 225570260 GCAUAEHEQPTLCV-UHFFFAOYSA-N 359.495 3.797 0 40 FHAB Cc1cc(C)c(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1C 225647791 BEBFOZYQHXXLSM-KRWDZBQOSA-N 366.461 3.773 0 40 FHAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC)c(C(=O)OC)c1 225799518 FMKGYTDRJSJNNM-IBGZPJMESA-N 351.443 3.796 0 40 FHAB COC(=O)c1cc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)ccc1OC(C)C 225807486 PYIHUXVPIXCAJZ-VBKZILBWSA-N 363.454 3.794 0 40 FHAB COc1cccc(CNC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)c1 225834945 JUPLITVGRKXPLJ-UHFFFAOYSA-N 369.490 3.617 0 40 FHAB CCCO[C@]1(C(=O)Nc2ccc(OCCOC)nc2C)CCC[C@H](C)C1 225911247 RGYWMTWIWUGGGB-MGPUTAFESA-N 364.486 3.729 0 40 FHAB C[C@H]1C[C@H](C)CN(c2cc(Cl)nc(NC(=S)NC3CCCC3)n2)C1 226007315 FKNTYDJNRVPBLC-RYUDHWBXSA-N 367.950 3.841 0 40 FHAB O=C(c1cncs1)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257230978 GERYGBAJGPYIOP-CQSZACIVSA-N 371.437 3.881 0 40 FHAB CC(C)(C)c1nnc(CNC(=O)NCC2CCc3ccccc3CC2)s1 527824142 WDKDJTXLZPCTST-UHFFFAOYSA-N 372.538 3.830 0 40 FHAB O=C(NCC[C@H](CCO)c1cccs1)c1cc(Br)cs1 575607778 JNANMFVJBHWXMY-SNVBAGLBSA-N 374.325 3.858 0 40 FHAB O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@H](Oc2ccncn2)C1 575609165 JZBLWBDKFVHRKH-FQEVSTJZSA-N 373.456 3.679 0 40 FHAB O=C(Nc1cccc(Cl)c1)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 575609883 RKITZUVENAOTGT-AWEZNQCLSA-N 367.236 3.859 0 40 FHAB O=C(CCSc1ccccc1)N1CC[C@H](n2cnc3ccccc32)C1 575617635 QBIQTKBMNJQTDB-INIZCTEOSA-N 351.475 3.992 0 40 FHAB Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)n1 589579406 FOCDDRJVBMEXKA-SJLPKXTDSA-N 369.465 3.586 0 40 FHAB O=C(Nc1ccc(C2CCC2)cn1)N[C@H](C[C@@H]1CCCO1)C(F)(F)F 654104713 UHJDRKPONGRNRB-UONOGXRCSA-N 357.376 3.971 0 40 FHAB COc1ccc(C[C@@H]2CCN2C(=O)c2c(C(F)F)nc3ccccn23)cc1 1545352975 ACWPTLQWVXJGDR-AWEZNQCLSA-N 371.387 3.738 0 40 FHAB O=S(=O)(c1ccccc1)C1CCN(c2cccc(C(F)(F)F)n2)CC1 1776008693 MOKBRRGXBNXMIO-UHFFFAOYSA-N 370.396 3.543 0 40 FHAB COc1cccc(N2C(=O)N(CC3CCC3)c3ccccc3S2(=O)=O)c1 1889091587 DNFALOLREAWMQY-UHFFFAOYSA-N 372.446 3.631 0 40 FHAB COc1cccc(-c2cc3c(=O)n(Cc4ccc(C)c(C)c4)ccn3n2)c1 1889122741 WQUKMVSZCKUNNQ-UHFFFAOYSA-N 359.429 3.837 0 40 FHAB CC(C)NC(=O)C1(Nc2ccccc2)CCN(Cc2ccccc2F)CC1 2055759316 LBBODVVTEJRJFY-UHFFFAOYSA-N 369.484 3.797 0 40 FHAB CCOc1cccc2sc(N3CCC(NC(=O)C(C)(C)C)CC3)nc12 2087136704 ALBUPUXPAHGDAZ-UHFFFAOYSA-N 361.511 3.826 0 40 FHAB CCn1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1ccncc1 886919 RLNNARDZJPKPQW-UHFFFAOYSA-N 364.434 3.702 0 40 FHAB COc1cc(Cl)c(S(=O)(=O)N(C)C2CCCCC2)cc1Cl 944409 IXGDZVFHFORGLI-UHFFFAOYSA-N 352.283 3.955 0 40 FHAB Cc1cc(C)nc(O[C@H](C(=O)O)C(C)(c2ccccc2)c2ccccc2)n1 1487463 IUOKTIGWXRJRIQ-LJQANCHMSA-N 362.429 3.932 0 40 FHAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)NN1C 2186374 BFIZLGJLKBXUOM-QGZVFWFLSA-N 363.248 3.851 0 40 FHAB CCOc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OCC 2225177 JIPZNWPNBYTGTM-UHFFFAOYSA-N 372.440 3.586 0 40 FHAB Brc1ccc(-c2nc(N3CCOCC3)c3ccccc3n2)cc1 2316936 MXKSHRXCAMVDIH-UHFFFAOYSA-N 370.250 3.896 0 40 FHAB CCN(CC)c1ccc(C(=O)OCc2cc(=O)oc3cc(O)ccc23)cc1 2636596 ZQQDGXBHYGCVIL-UHFFFAOYSA-N 367.401 3.702 0 40 FHAB COc1cccc(NC(=O)CSc2nccn2-c2ccc(F)cc2)c1 2723649 BMNQJXWBELAINW-UHFFFAOYSA-N 357.410 3.751 0 40 FHAB Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1N1C(=O)CCC1=O 2730601 UXZBAGMCNBENGX-UHFFFAOYSA-N 352.221 3.508 0 40 FHAB O=C(NCCc1ccccc1)/C(=C/c1ccccc1)NC(=O)c1ccccc1 3055473 JVYLNHMIFABVOZ-PYCFMQQDSA-N 370.452 3.816 0 40 FHAB biogenic CSc1ccc(Cl)c(C(=O)OCC(=O)NCC2CCCCC2)c1 3234788 GGVJZXYHDBPMDM-UHFFFAOYSA-N 355.887 3.915 0 40 FHAB S=C(NCCc1ccccc1)NC[C@@H](c1ccco1)N1CCCCC1 3335612 LAZFFFRIVAOXRY-SFHVURJKSA-N 357.523 3.513 0 40 FHAB C[C@H](Sc1nnc(N)s1)C(=O)Nc1ccccc1-c1ccccc1 3372055 SRRCDFFLSAEZRP-NSHDSACASA-N 356.476 3.907 0 40 FHAB CC(C)[C@@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2 3536614 MJWJPOPQQOIYEV-HUUCEWRRSA-N 368.477 3.677 0 40 FHAB COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc(C)cc1 4033129 NKIVBWZCCPCTKS-UHFFFAOYSA-N 358.401 3.966 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2nnc(-c3ccccc3C)s2)c1 4070421 SUBMUQBBBLYRIE-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB O=S(=O)(c1cccc(F)c1)N1CCn2cccc2[C@@H]1c1ccccc1F 4853858 YPQCYPMDMVLRDB-IBGZPJMESA-N 374.412 3.560 0 40 FHAB CCOc1ccccc1OCc1nn2c(-c3ccoc3C)nnc2s1 4939064 YYARPFOIDPKNFJ-UHFFFAOYSA-N 356.407 3.732 0 40 FHAB COc1ccc(CC(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc1 4950293 OAYNXTRNPQNEFJ-UHFFFAOYSA-N 358.401 3.586 0 40 FHAB CC(C)C(=O)N1CCCc2cc(NC(=O)COc3ccc(F)cc3)ccc21 5099496 SHQXZMHALHTZQQ-UHFFFAOYSA-N 370.424 3.778 0 40 FHAB O=S(=O)(c1cccc(-c2cn3ccccc3n2)c1)N1CCCCCC1 5461992 OFKRLDHLYXSRSL-UHFFFAOYSA-N 355.463 3.566 0 40 FHAB CCOc1ccc(-c2nnc(NC(=O)CCc3ccc(OC)cc3)o2)cc1 6948142 LGNOQMFTBCMHOS-UHFFFAOYSA-N 367.405 3.715 0 40 FHAB COc1cc(NC(=S)NCc2ccc(Cl)cc2)cc(OC)c1OC 6951486 RTCABKQEDRMEPF-UHFFFAOYSA-N 366.870 3.852 0 40 FHAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccs1 7404123 PKRKFHZVPJDXCK-UHFFFAOYSA-N 357.262 3.695 0 40 FHAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2ccccn2)cc1 7499628 RLPRTBXXKNXWOV-UHFFFAOYSA-N 369.424 3.809 0 40 FHAB Cc1cc(C)cc(-n2nnnc2SCc2nc(-c3ccsc3)no2)c1 7880284 JVXOBORGDWYXRD-UHFFFAOYSA-N 370.463 3.683 0 40 FHAB C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)C(=O)c1ccccc1 7881594 RVYPYFASNPKTQC-HIFRSBDPSA-N 371.820 3.508 0 40 FHAB COc1ccc(NC(=O)CN(C)Cc2ncc(-c3ccc(F)cc3)o2)cc1 7915601 XZKJSKFWTURUJM-UHFFFAOYSA-N 369.396 3.560 0 40 FHAB Cc1cccc(NC(=O)CN(C)Cc2cc(Cl)cc3c2OCOC3)c1C 8152658 AAOXFOFZQHUUCF-UHFFFAOYSA-N 374.868 3.894 0 40 FHAB C[C@H](OC(=O)c1cccc(O)c1)C(=O)Nc1c(Cl)cccc1Cl 8327343 ABZDHGHKCSNKEA-VIFPVBQESA-N 354.189 3.883 0 40 FHAB COc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1 8816543 DBHIIBONPUGLJS-CYBMUJFWSA-N 358.825 3.649 0 40 FHAB COc1ccccc1NC(=O)C1CCN(c2nc3ccccc3o2)CC1 8941140 VZLPNIJMGZQNNA-UHFFFAOYSA-N 351.406 3.692 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)SCc2cc(Cl)c3c(c2)OCO3)no1 9586531 LPDMQYNWPDGGSK-SECBINFHSA-N 354.815 3.626 0 40 FHAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccc(Cl)c(Cl)c1 10329732 UPPDSWGFZPGDSF-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB COc1ccc(S(=O)(=O)NCCCc2ccccc2Cl)cc1Cl 10543223 HQRFZFLKRFFMPP-UHFFFAOYSA-N 374.289 3.913 0 40 FHAB CCN(CC)C(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)cc1 11404036 SCLLRLSHFRSYGS-SFHVURJKSA-N 354.475 3.824 0 40 FHAB CCOc1cccc2cc(-c3cc(=O)oc4cc(O)ccc34)c(=O)oc12 11865123 FGIPCSKEYJKNDE-UHFFFAOYSA-N 350.326 3.671 0 40 FHAB biogenic COc1cc(C)c(CNC(=O)c2cc(-c3ccccn3)n[nH]2)cc1C(C)C 12147211 RNNTVHFUYYUAJH-UHFFFAOYSA-N 364.449 3.842 0 40 FHAB CCn1ncc(S(=O)(=O)Nc2ccc(-c3ccccc3OC)cc2)c1C 12147753 MHWFXFIVLIJYHL-UHFFFAOYSA-N 371.462 3.688 0 40 FHAB CCOc1ccc(-n2nnc(C(=O)OCc3cc(C)ccc3C)c2C)cc1 12415988 OANYESCSRQPZDF-UHFFFAOYSA-N 365.433 3.948 0 40 FHAB CCN(CC)c1ccc(NC(=O)[C@H](C)n2c(=O)oc3ccccc32)cc1 12542263 XHAFXQFDEXDZDE-AWEZNQCLSA-N 353.422 3.640 0 40 FHAB Cc1cccc(-c2nnc(S)n2CCC(=O)NCc2ccccc2C)c1 12792252 FDQUHIVVXRNTRC-UHFFFAOYSA-N 366.490 3.557 0 40 FHAB COc1ccc([C@H]2C[C@H](c3cccc(Cl)c3)n3nc(N)nc3N2)cc1 13132260 AZJUETRGZAYPMI-HZPDHXFCSA-N 355.829 3.669 0 40 FHAB Cc1ccc(CS(=O)(=O)NCCCc2ccc(OC(C)C)cc2)cc1 13613610 IUGNVWBTGDWSDE-UHFFFAOYSA-N 361.507 3.834 0 40 FHAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2ccc(OC)cc2)c1 13669166 QNKKOYQHVDOXRR-SFHVURJKSA-N 357.406 3.668 0 40 FHAB CCOc1ccc2nc(Nc3nc(-c4ccccc4)cc(=O)[nH]3)nc(C)c2c1 13756543 QFNJJXXFRZYQKE-UHFFFAOYSA-N 373.416 3.831 0 40 FHAB C[C@@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)N1CCCC1 14108701 KIGPFPBYQQKVRA-CYBMUJFWSA-N 353.447 3.993 0 40 FHAB C[C@H]1CN(C(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)C[C@@H](C)O1 14138183 OVITZMRQDFOAQT-GASCZTMLSA-N 363.417 3.653 0 40 FHAB NC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)cc1 14245004 OIPVQZHFYLJRRN-UHFFFAOYSA-N 350.349 3.969 0 40 FHAB O=C(Cc1ccccc1)NC(=S)Nc1cc(Cl)cc(Cl)c1O 14257542 RGBYAGWXPAQVCQ-UHFFFAOYSA-N 355.246 3.755 0 40 FHAB COc1ccc(CN2C[C@@H]3CCCN3C[C@@H]2Cc2ccccc2)cc1OC 19561190 VGKRGIPEKDENKC-SFTDATJTSA-N 366.505 3.595 0 40 FHAB Cc1ncc(CN2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cn1 19564396 IUHAGCYXAORIGR-AWEZNQCLSA-N 373.407 3.947 0 40 FHAB CCCN1C(=O)COc2ccc(-c3csc(NC(=O)C(C)C)n3)cc21 19820263 REQVMQXRZWDCDK-UHFFFAOYSA-N 359.451 3.540 0 40 FHAB CCn1c(SCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)nnc1-c1cccc(C)c1 19927614 UICWCDQOPRENCF-ZMSDIMECSA-N 370.522 3.670 0 40 FHAB COc1cc(OC)c(NC(=O)CN2CCCc3ccccc32)cc1Cl 22056818 NTIJCEYTQMZGBX-UHFFFAOYSA-N 360.841 3.749 0 40 FHAB O=C(C[C@@H]1Oc2ccccc2NC1=O)OCc1ccccc1C(F)(F)F 24091923 PMUSPHWNZISGTR-HNNXBMFYSA-N 365.307 3.538 0 40 FHAB O=C(Nc1ccccc1Oc1ccccc1)c1n[nH]c(=O)c2ccccc12 25985039 UEQDOULOSKFBEZ-UHFFFAOYSA-N 357.369 3.968 0 40 FHAB CC(C)[C@H](CNC(=O)NCc1ccc(F)cc1)N1CCc2ccccc2C1 26170122 VFZNUVRRXBFYJG-NRFANRHFSA-N 369.484 3.708 0 40 FHAB CN(C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)[C@@H]1CCc2ccccc21 26199340 DJZURTCQBYZROC-UXHICEINSA-N 364.445 3.564 0 40 FHAB C[C@@H]1C[C@@H](OC[C@@H](O)CN2C(C)(C)CC(O)CC2(C)C)CC(C)(C)C1 26781179 DBIRBMRBTJPLEL-BPQIPLTHSA-N 355.563 3.593 0 40 FHAB CCN(CC)C(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 27475172 UMSQZABTKSKQBP-UHFFFAOYSA-N 366.870 3.623 0 40 FHAB CCOc1ccc(-c2nonc2NC(=O)COc2cccc(C)c2)cc1C 27741148 HDCKDAOQNTTWFR-UHFFFAOYSA-N 367.405 3.770 0 40 FHAB CC[C@H](NC(=O)C1CCN(c2ccc(Cl)nn2)CC1)c1ccc(C)cc1 28094779 WAUMULXYXVCTJQ-KRWDZBQOSA-N 372.900 3.922 0 40 FHAB CC(C)CC[C@@H](C)NC(=O)CSc1nc(CCC2CCCC2)n[nH]1 29621926 DKDKGCCGGNXQMT-CQSZACIVSA-N 352.548 3.961 0 40 FHAB COC(=O)[C@H]1CCCCN1Cc1csc(Cc2ccc(Cl)cc2)n1 29710676 MRXMGCPLGOCXRM-MRXNPFEDSA-N 364.898 3.915 0 40 FHAB O=C(CN1CCCSc2ccccc21)Nc1cccc2nsnc12 32511284 PQMXAFCWQRRROZ-UHFFFAOYSA-N 356.476 3.632 0 40 FHAB Cc1cc(C)c(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)c1 33728854 WGLUBFJCGBERCA-BOPFTXTBSA-N 372.490 3.661 0 40 FHAB O=C(CSc1nccn2nc(-c3ccccc3)cc12)NC1CCCC1 35506082 JYXNYBZSLWCRGW-UHFFFAOYSA-N 352.463 3.547 0 40 FHAB CC(C)(C)c1cc(NC(=O)NC2CCC(O)CC2)n(-c2ccc(F)cc2)n1 44365926 AYTQORWFTZEHLR-UHFFFAOYSA-N 374.460 3.734 0 40 FHAB Cc1ncsc1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1Cl 48235725 FUVZSECAMBWBOZ-AWEZNQCLSA-N 366.870 3.918 0 40 FHAB CCOc1ccccc1-c1nc([C@@H]2CC(=O)N(c3ccc(C)cc3)C2)no1 49060489 BVWLGCQXYTZQCT-OAHLLOKOSA-N 363.417 3.964 0 40 FHAB Cc1noc(C)c1CC(=O)NCc1ccc(Br)cc1Cl 49315160 JKQOCMNLJCXHKF-UHFFFAOYSA-N 357.635 3.566 0 40 FHAB Cn1c2c(sc1=O)[C@H](c1c(F)cccc1F)CC(=O)N2c1ccccc1 49548943 SNTWKMSBLYGDGB-LBPRGKRZSA-N 372.396 3.925 0 40 FHAB Cc1cc(C)n(-c2ccc(NC(=O)CCc3c(C)noc3C)cc2F)n1 55716784 OFMPIXNFWMAFTB-UHFFFAOYSA-N 356.401 3.804 0 40 FHAB O=C(Nc1ccccc1)[C@@H](NC[C@@H]1COc2ccccc2O1)c1ccccc1 57352274 SDPRPTRHGZCLGG-KNQAVFIVSA-N 374.440 3.796 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@@H](C)CC[C@H]1CCCO1 58178255 RTIPWCLUYSLOHI-IFXJQAMLSA-N 373.472 3.635 0 40 FHAB CN(C)c1c(Cl)cccc1NS(=O)(=O)c1ccc(F)c(F)c1F 58190392 ULVCBVYPXSRNHG-UHFFFAOYSA-N 364.776 3.624 0 40 FHAB CCc1nc(C(=O)N(C)CCC(F)(F)F)nn1-c1ccccc1Cl 58266477 XLPQFOCLTSJIRS-UHFFFAOYSA-N 360.767 3.508 0 40 FHAB O=C(CNC(=O)c1cc2sc3ccccc3c2s1)Nc1nccs1 63658069 YMTUMTZXTIFSMC-UHFFFAOYSA-N 373.484 3.941 0 40 FHAB C[C@H](CC(=O)N1CCCN2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1 65587488 JGEPTCUNNGJRSO-RHSMWYFYSA-N 354.416 3.896 0 40 FHAB Cn1ncc2c1NC(=O)C[C@H]2c1ccc(OCc2ccc(F)cc2)cc1 66091714 PSQWDNYRUDQULY-KRWDZBQOSA-N 351.381 3.612 0 40 FHAB CCn1nc(C)c(NC(=O)c2nnsc2-c2ccc(Cl)cc2)c1C 72242887 SVHOPKIHCWMVII-UHFFFAOYSA-N 361.858 3.944 0 40 FHAB Cn1ccc(CNc2cc(C(F)(F)F)ccc2N2CCCC2)cc1=O 72313882 TWJQNLJXIOMRDL-UHFFFAOYSA-N 351.372 3.616 0 40 FHAB CCSc1nnc(NC(=O)CN2CCC(c3cccs3)CC2)s1 75172433 WHBXCSQXGFRYCI-UHFFFAOYSA-N 368.553 3.530 0 40 FHAB CCc1nc(C)c([C@@H](C)OC(=O)c2cc(S(C)(=O)=O)ccc2C)s1 76020334 FKDDQODGRVZDPM-GFCCVEGCSA-N 367.492 3.644 0 40 FHAB COc1ccc(NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)cc1 78314956 XVCGGIUNLDUARA-UHFFFAOYSA-N 368.433 3.683 0 40 FHAB CCC[C@@H]1CN(C(=O)c2cc(C)oc2C)CCN1C(=O)c1cc(C)oc1C 79056221 UAPULSSBNLVCOP-QGZVFWFLSA-N 372.465 3.873 0 40 FHAB CN1CCC[C@H](NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 83877783 VPWFJEPOCHKNTP-NSHDSACASA-N 369.309 3.940 0 40 FHAB COC(=O)c1c(NC(=O)c2ccc(N3CCC(C)=N3)cc2)sc(C)c1C 95350658 HCWQJWPRSWBBLB-UHFFFAOYSA-N 371.462 3.990 0 40 FHAB COc1cc(NC(=O)Cc2ccc(Cl)cc2)ncc1Br 95447636 YYXMWQOOKKPPFU-UHFFFAOYSA-N 355.619 3.687 0 40 FHAB O=C1CCC2(CCN(Cc3ccc(F)cc3)CC2)N1Cc1ccccc1 96049418 LORQCSCOMBWSBX-UHFFFAOYSA-N 352.453 3.983 0 40 FHAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C)CC2)n1 100148338 FZXWDHRNGGDASN-BGTYHANMSA-N 364.493 3.893 0 40 FHAB CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Nc2nc3ccccc3[nH]2)CC1 100181421 UBBRDCGRQQNRQZ-OKILXGFUSA-N 372.469 3.833 0 40 FHAB Cc1noc(C)c1CCc1cc(O)n2nc(-c3ccc(F)cc3)cc2n1 100776464 SLIVIJINPLGEDO-UHFFFAOYSA-N 352.369 3.631 0 40 FHAB O=C1C[C@@H](Nc2cccc(Cl)c2Cl)C(=O)N1c1cccc(F)c1 101276559 JBWFUTBMXRRVAA-CYBMUJFWSA-N 353.180 3.877 0 40 FHAB Cc1ccc(-c2cc(CNc3cc(S(C)(=O)=O)ccc3F)on2)cc1 172867707 SYMUNCOKGLGVBA-UHFFFAOYSA-N 360.410 3.805 0 40 FHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)n1cc(C(=O)OC)c2ccccc21 222606336 MJCWGLZUIWKQPW-LJQANCHMSA-N 367.401 3.934 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C 223231361 ZUAJHAIGWUPUJJ-FQEVSTJZSA-N 370.468 3.538 0 40 FHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)CCc1ccccc1F 223715780 FZRUYHURNGRNQH-UHFFFAOYSA-N 359.426 3.919 0 40 FHAB COc1ccc(S(=O)(=O)N(C)Cc2cccc3ccccc23)cc1C 223722306 FMOKXTCOSMOWDP-UHFFFAOYSA-N 355.459 3.978 0 40 FHAB O=C(Cc1ccc(Cl)cc1F)Nc1ccccc1C(=O)N1CCCC1 223918144 KZHLNAWYVGZXAU-UHFFFAOYSA-N 360.816 3.896 0 40 FHAB CCOc1ccc(S(=O)(=O)N(C)c2cccc(Br)c2)cc1 224582540 VXNLNANVFTXEEE-UHFFFAOYSA-N 370.268 3.673 0 40 FHAB CCOc1cccc(NC(=S)N[C@H](C)COc2ccc(OC)cc2)c1 225266975 PLABUBBBPSRICW-CQSZACIVSA-N 360.479 3.848 0 40 FHAB COc1ccc(Cl)cc1C(=O)NCc1ccc(-c2cccnc2)nc1 225764363 HHYVRODSRLRYKZ-UHFFFAOYSA-N 353.809 3.736 0 40 FHAB CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2cccc3ccccc23)c1 225967313 RTOAMVRZHLIIJA-UHFFFAOYSA-N 368.458 3.878 0 40 FHAB COCCN(Cc1cccn1C(C)C)C(=O)c1ccc2[nH]c(Cl)nc2c1 225984876 LTUHPAKCKVOSCQ-UHFFFAOYSA-N 374.872 3.888 0 40 FHAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2c(C)cccc2C)C1 244448825 ZAMZAEMSINPTIP-INIZCTEOSA-N 352.434 3.694 0 40 FHAB O=C1C[C@]2(CC[C@@H]3[C@@H](C(=O)NCc4ccccc4F)[C@@H]32)Oc2ccccc21 247850594 GXBAPDJCFYVWNO-XVJMICLVSA-N 365.404 3.502 0 40 FHAB Cc1cnc(C(=O)N2CCC[C@H](Cc3cncc4ccccc34)CC2)cn1 257237205 HFOOPZDYOVSCFE-KRWDZBQOSA-N 360.461 3.818 0 40 FHAB CC(C)c1cc(NC(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)no1 272880769 WUQAFIOCTMJJSQ-NSHDSACASA-N 371.363 3.882 0 40 FHAB CCN1C(=O)/C(=C/c2ccccc2OCc2cccc(C)c2)N(C)C1=S 409034214 MTRPDQPEZWBUGA-AQTBWJFISA-N 366.486 3.994 0 40 FHAB COCCCN1C(=O)S/C(=C/c2cccc(OC)c2OC(C)C)C1=O 409244778 IOTDPNKSBFJQDU-RVDMUPIBSA-N 365.451 3.555 0 40 FHAB O=C(NCc1nc(C2CCSCC2)no1)c1ccccc1C(F)(F)F 575608158 RAPOMKUXTUVITF-UHFFFAOYSA-N 371.384 3.629 0 40 FHAB CCn1cnnc1[C@H]1CCCN(C(=O)Nc2ccccc2CCSC)C1 603079645 TXIXOIXDAPYERS-INIZCTEOSA-N 373.526 3.615 0 40 FHAB COc1ccc2c(c1)OC(C)(C)CN(C(=O)Nc1cn(C)nc1C1CC1)C2 643265846 RYERPRSPRJNGQY-UHFFFAOYSA-N 370.453 3.511 0 40 FHAB O=C(Nc1cccc2cccnc12)[C@H]1CCCN(c2ccc(C3CC3)nn2)C1 827736205 AALHPKDLFSBPFS-KRWDZBQOSA-N 373.460 3.757 0 40 FHAB CCOc1ccc(Cn2ccc(=O)c3cccc(OC(F)(F)F)c32)nc1 1615627958 PRPHYAVQFMBJNU-UHFFFAOYSA-N 364.323 3.742 0 40 FHAB C[C@H]1CCCN(C(C)(C)CNc2nc(-c3cccnc3)nc3c2CCC3)C1 1655068841 KCTVZTQOOARGST-INIZCTEOSA-N 365.525 3.950 0 40 FHAB CCOc1ccc2nc(NC(=O)c3cc(C)nc(C4CC4)n3)sc2c1 1888901210 VHFIUMIWPPJXJH-UHFFFAOYSA-N 354.435 3.923 0 40 FHAB O=C(O)Cc1c(O)nc2ccc(Br)cc2c1-c1ccccc1 9043879 BUKVDFRKLWQRDI-UHFFFAOYSA-N 358.191 3.997 0 40 FHAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1c(-c2ccccc2)nc2sccn12 12535819 XJCXSBZUZOIPNQ-ZIAGYGMSSA-N 367.430 3.668 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(C)n1C[C@H]1CCCO1 915440 MYRNNOHZFUUWTL-GDBMZVCRSA-N 374.510 3.502 0 40 FHAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(CC)cc2)C1 831387 NFBBQBRWJLVAHB-INIZCTEOSA-N 352.434 3.639 0 40 FHAB CC(=O)N1CCCN(CC(=O)Nc2ccc(C)c(C)c2)c2ccccc21 72308679 NYKJTPHZJHLPJJ-UHFFFAOYSA-N 351.450 3.505 0 40 FHAB CN(C)c1cccc([C@H]2CCCN2S(=O)(=O)CC2CCCCC2)c1 78775513 QFPRDSQVSURPDU-LJQANCHMSA-N 350.528 3.800 0 40 FHAB COc1ccc(C(O)(c2ccc(OC)cc2)c2ccccc2OC)cc1 4692463 TTXGDBLXRHYDJN-UHFFFAOYSA-N 350.414 3.997 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3)[nH]2)cc1C 6477975 XIPUQNUMOJCJDS-UHFFFAOYSA-N 368.462 3.731 0 40 FHAB Cc1ccc(OCC(=O)Nc2ccc(-n3nc(C)cc3C)nc2)c(C)c1 24571982 RHEZYNZLVUGXJQ-UHFFFAOYSA-N 350.422 3.518 0 40 FHAB CCOc1ccc(C[C@@H]2SC(=O)N(CC(C)C)C2=O)cc1OCC 6964432 ZMBKEVZTDVKBBY-INIZCTEOSA-N 351.468 3.747 0 40 FHAB CCC(=O)Nc1ccc(C)c(NCC(=O)N[C@@H](C)c2ccc(F)cc2)c1 55847817 NORDPUAWHHNDHO-AWEZNQCLSA-N 357.429 3.772 0 40 FHAB C[C@H](c1ccccc1)N(C)C(=O)CCC(=O)N1CCC(c2ccccc2)=N1 25613924 KZIVKFKZUWIQRP-QGZVFWFLSA-N 363.461 3.623 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)c2ccc3cc(OC)ccc3n2)c1 26069648 AYXUJOISXXZBME-UHFFFAOYSA-N 350.374 3.591 0 40 FHAB CSc1ccccc1NC(=O)COC(=O)CSc1ccc(C)cc1 9213407 HXKXTJLPBRHEFV-UHFFFAOYSA-N 361.488 3.991 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3F)n[nH]2)c(OC)c1 57412958 FVMSQUMIZUZZNF-UHFFFAOYSA-N 359.332 3.624 0 40 FHAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc(-n2ccnc2C)cc1 20107337 NWMINDYZWIIMCP-HXUWFJFHSA-N 363.461 3.963 0 40 FHAB CCOc1cccc(CNC(=O)CSc2ccc(OC)c(OC)c2)c1 22513527 YVRUHVMFLDTPLJ-UHFFFAOYSA-N 361.463 3.511 0 40 FHAB O=C(Nc1cccnc1N1CCCC1)N1CCC[C@H]1c1ccc(O)cc1 58201394 HICAOPNUZDWLME-SFHVURJKSA-N 352.438 3.756 0 40 FHAB Cc1oc(C)c(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)c1C 58201002 DOWLYJZLZNHFPB-UHFFFAOYSA-N 363.417 3.782 0 40 FHAB CC(=O)Nc1cc(N[C@H](C)C(=O)Nc2ccc3c(c2)CCC3)ccc1F 12752104 ZOZULOVNHURFQG-GFCCVEGCSA-N 355.413 3.712 0 40 FHAB COc1ccc(N/C=C\c2nnnn2-c2ccc(Br)cc2)cc1 100662160 FIROPRPTDLRILV-KHPPLWFESA-N 372.226 3.516 0 40 FHAB CN(C)[C@H](CNC(=O)Nc1cc(-c2ccccc2)ns1)c1ccco1 72309658 DPVUACPFMANBEW-OAHLLOKOSA-N 356.451 3.828 0 40 FHAB O=C(O)c1c(F)cccc1NS(=O)(=O)c1cccc(Cl)c1Cl 58370801 RHVUDZBWHSQIPX-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB COc1cc(CNC(=O)CCCC(=O)c2c(C)cc(C)cc2C)ccn1 48354204 PGAOCHZCVODHCG-UHFFFAOYSA-N 354.450 3.685 0 40 FHAB O=C1c2ccccc2N[C@@H](c2ccc(OC[C@@H]3CCCO3)cc2)N1C1CC1 11034721 KPMXFZKDNPBHNP-GHTZIAJQSA-N 364.445 3.973 0 40 FHAB CC(C)OC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 11020011 LMPGMNWKILUUEN-UHFFFAOYSA-N 357.435 3.630 0 40 FHAB O=C(CSCc1nc2ccccc2s1)Nc1ccc2c(c1)OCCO2 11102186 VDMWLNAMHGKPRN-UHFFFAOYSA-N 372.471 3.939 0 40 FHAB O=C(NCCc1ccccc1)c1csc(COc2ccc(F)cc2)n1 12822693 OSFFEXVNLVDYSK-UHFFFAOYSA-N 356.422 3.834 0 40 FHAB O=C(Nc1cc(Cl)ccc1F)[C@@H]1CC(=O)N(CCc2ccccc2)C1 36832517 ANJAAXKVVHXRJD-CQSZACIVSA-N 360.816 3.509 0 40 FHAB CCOc1cc(/C=C2/SC(=S)N=C2O)cc(Br)c1O 2532841 BGGOTMVGOYPFNW-WEVVVXLNSA-N 360.254 3.883 0 40 FHAB Cc1ccccc1NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 2658242 YXDXJTYZJZTYSY-IBGZPJMESA-N 360.413 3.794 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)COc1ccc(C)cc1C 10473036 SMGGGWWZZPDCQX-UHFFFAOYSA-N 354.450 3.851 0 40 FHAB Cc1ccc(NC(=O)COC(=O)c2ccccc2Br)cc1C 3506939 WXIPAPLXRBSYKX-UHFFFAOYSA-N 362.223 3.861 0 40 FHAB O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cc(Br)c[nH]1 12929769 RUBGCOIMTRTVRD-UHFFFAOYSA-N 363.133 3.971 0 40 FHAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN(C(=O)c2ccco2)C1 12953071 XLRJOWDWYVBGNW-LLVKDONJSA-N 350.777 3.563 0 40 FHAB CCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccc(OC)cc1 9158699 FWEREHBINRCFNI-UHFFFAOYSA-N 364.445 3.898 0 40 FHAB COc1cccc(/C=C/C(=O)OC[C@@H]2CCCN3CCCC[C@H]23)c1OC 4028966 AMTPWEOSAFWDMM-AAIOHFERSA-N 359.466 3.525 0 40 FHAB biogenic COc1ccc(-c2c(C)c3cc(OCC(C)=O)ccc3oc2=O)cc1OC 4340633 SGOUDXCIMWRURE-UHFFFAOYSA-N 368.385 3.753 0 40 FHAB biogenic Cc1ccc(-c2cc(NC(=O)c3cccc(C[S@@](C)=O)c3)[nH]n2)s1 65576609 NJWYNVIOMKOVBJ-DEOSSOPVSA-N 359.476 3.577 0 40 FHAB O=C1C[C@@H](c2cc(Cl)c3c(c2)OCO3)c2c(ccc3nsnc23)O1 96232094 NHXWTFXZLQMILQ-QMMMGPOBSA-N 360.778 3.514 0 40 FHAB CN1C(=O)N/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C1=O 4739726 VKAWLQXGVOXLAT-LICLKQGHSA-N 365.820 3.866 0 40 FHAB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(F)cc4)cc3n2)cc1 4785513 MVEWJKKAPULCKI-UHFFFAOYSA-N 362.364 3.821 0 40 FHAB Cc1cc(C)c(C)c(OCC(=O)NCc2ccc(-n3ccnc3C)cc2)c1 20462242 DSFRCOVJAPLYPG-UHFFFAOYSA-N 363.461 3.801 0 40 FHAB CC[C@@H](CNC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccccc1 9478247 JBOGUXMEPXYTCC-SFHVURJKSA-N 350.462 3.666 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 4815922 XTGOVSBHNICBEQ-MRXNPFEDSA-N 352.434 3.612 0 40 FHAB CC(=O)N(c1nc(COC(=O)c2ccco2)cs1)c1ccccc1F 5854927 WJFWORDGRHLEEZ-UHFFFAOYSA-N 360.366 3.917 0 40 FHAB CN(CCOc1ccc(Cl)cc1)CC(=O)Nc1cc(C(C)(C)C)no1 6977227 HJJDVEYBGUNODJ-UHFFFAOYSA-N 365.861 3.575 0 40 FHAB Cc1cccc(C)c1O[C@H](C)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 4993452 ODYSMMFFIACLPT-CYBMUJFWSA-N 372.490 3.749 0 40 FHAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN(Cc1ccccc1)Cc1ccccc1 15981583 UOEPNNGXPJHKQJ-SFTDATJTSA-N 360.457 3.598 0 40 FHAB CS(=O)(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2Cl)c1 7943365 HZCZLHNBCCUIHP-UHFFFAOYSA-N 358.246 3.578 0 40 FHAB Cc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c(O)c1 23529507 WWQWNOBOYOQOJP-UHFFFAOYSA-N 367.232 3.718 0 40 FHAB CCc1nnsc1C(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 8061400 VZKMDKQFYJAFOB-UHFFFAOYSA-N 360.464 3.793 0 40 FHAB COc1ccc2oc(C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)c(C)c2c1 8014482 PTOZFLUYVLGGMN-NSHDSACASA-N 366.373 3.722 0 40 FHAB Cc1sc(NC(=O)CCCC(=O)O)c(C(=O)NC2CCCCC2)c1C 17075280 CABHGRFPYRFHGJ-UHFFFAOYSA-N 366.483 3.621 0 40 FHAB C[C@@H](Nc1cccc(N2CCCCC2)c1)C(=O)NC(=O)NC1CCCCC1 83927607 FHYXSQSTNGCRPG-MRXNPFEDSA-N 372.513 3.636 0 40 FHAB O=S(=O)(c1ccc2c(c1)CCC2)N(Cc1ccc(F)cc1F)C1CC1 69978897 MTRGDBGXLHMBEN-UHFFFAOYSA-N 363.429 3.807 0 40 FHAB CCc1nc2ccccc2n1CC(=O)Nc1nc(-c2cccnc2)cs1 8725288 OQGZVRFYMIMSRT-UHFFFAOYSA-N 363.446 3.756 0 40 FHAB Cc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c1 8906128 PELFJLGCSRXKOJ-UHFFFAOYSA-N 360.369 3.637 0 40 FHAB CN(C)C(=O)C1(CNC(=O)Nc2cccc(-c3nccs3)c2)CCCC1 95959314 SNHFCKMALFKQEZ-UHFFFAOYSA-N 372.494 3.580 0 40 FHAB COc1ccc(C)cc1[C@H](C)NC(=O)c1cc(=O)c2cc(C)ccc2o1 9919175 OLXUVGQCKMVLOG-AWEZNQCLSA-N 351.402 3.909 0 40 FHAB CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1cc2c(s1)CCSC2 89948283 ZOKVXILGGWLEMD-GXTWGEPZSA-N 367.536 3.874 0 40 FHAB O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cccc(Nc2ncccn2)c1 24983882 UAMBGYVYBZDGCH-UHFFFAOYSA-N 373.416 3.821 0 40 FHAB Cc1cc(C)c(OCC(=O)Nc2cc(C)c(O)c(C(=O)O)c2)c(Cl)c1 20144393 NCQKEMOAXRNWIZ-UHFFFAOYSA-N 363.797 3.687 0 40 FHAB O=c1[nH]c(=S)n(-c2ccccc2Cl)c2c1CN(Cc1ccco1)CN2 20567552 YLPQZGOEESPAJY-UHFFFAOYSA-N 374.853 3.527 0 40 FHAB CC[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2C)C1)C(=O)c1ccccc1 408652998 PKUAHWMSJREIEE-IEBWSBKVSA-N 365.429 3.553 0 40 FHAB Cc1cc(C)n(Cc2ccc(C(=O)NCCCN3CCCCCC3)cc2)n1 61619955 UQNCZHHDDZJICO-UHFFFAOYSA-N 368.525 3.544 0 40 FHAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccc(C)c2)cc1OC 36620672 JHKNRPQTBXRFNO-KRWDZBQOSA-N 361.463 3.538 0 40 FHAB O=C(NC1CCCC1)c1ccc2c(c1)C[C@H](c1ccc(F)cc1)OC2=O 36635963 SBNGIVYKKDJPMT-LJQANCHMSA-N 353.393 3.952 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 32869808 IFVXTRQIWQCYEL-OAHLLOKOSA-N 368.389 3.556 0 40 FHAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@](C)(O)[C@@H]2OC(C)=O 33789433 AQYZEWWPIBKYCF-FACDWMFESA-N 358.478 3.844 0 40 FHAB COc1ccc(CC(=O)Nc2cnn(Cc3ccc(F)cc3Cl)c2)cc1 32610034 FFPSPHQOCFPEKV-UHFFFAOYSA-N 373.815 3.914 0 40 FHAB C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)OCCO2 39516453 FLLMPDOZCJOMTO-LLVKDONJSA-N 351.324 3.968 0 40 FHAB CCn1cc(-c2cc(C(F)(F)F)nc(NCc3ccco3)n2)c(C)n1 36618654 SDZNPJSQLXSXSA-UHFFFAOYSA-N 351.332 3.892 0 40 FHAB Cc1cccc(OCC(=O)Nc2c(C)cc3nc(NN)sc3c2C)c1 45889993 XJLXBDKWIPLCLP-UHFFFAOYSA-N 356.451 3.525 0 40 FHAB NC(=O)c1cn(C(=O)COc2ccc(Cl)cc2Cl)c2ccccc12 216749337 GNFYYQDGFATVQQ-UHFFFAOYSA-N 363.200 3.766 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)N2CCc3cc(Br)ccc32)c1 225926963 QYPTZADEAIAGTK-UHFFFAOYSA-N 366.280 3.817 0 40 FHAB C[C@H]1CCCCN1c1cc(Cl)nc(NC(=S)NC2CCCC2)n1 226007270 DCPYPUSAYPHJNC-NSHDSACASA-N 353.923 3.738 0 40 FHAB CCOc1cccc(CNC(=S)Nc2cc(C(=O)OC)ccc2C)c1 225439298 XLQLXOYSOGYZDU-UHFFFAOYSA-N 358.463 3.667 0 40 FHAB O=C(/C=C/c1ccccc1)NCCc1nc(C2CC2)cc(C(F)(F)F)n1 75170742 KPHRXLUFGQHCPU-RMKNXTFCSA-N 361.367 3.745 0 40 FHAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225121638 BROKBECSBCNOAY-MRXNPFEDSA-N 356.447 3.879 0 40 FHAB COc1ccc(CN2CC[C@H]3COC(=O)N3c3cc(C)ccc3C2)cc1 225487819 HFMIRPUHVGXFRU-SFHVURJKSA-N 352.434 3.735 0 40 FHAB biogenic,in-vitro COc1ccc(-c2csc3nc(-c4ccncc4)[nH]c(=O)c23)cc1OC 46438510 GVEVDVIWKPAUDJ-UHFFFAOYSA-N 365.414 3.731 0 40 FHAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C(C)(C)C)c1 223047904 OIBYVXYAJPMSDP-ZWKOTPCHSA-N 372.538 3.647 0 40 FHAB COc1cccc(OCCc2nnc(NC(=O)Nc3ccccc3)s2)c1 95116471 OUEGVTGFDUDOQA-UHFFFAOYSA-N 370.434 3.812 0 40 FHAB O=C(c1ccc(F)cc1)N1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 96109312 ANQSWUYKBPBGSE-NQIIRXRSSA-N 354.425 3.680 0 40 FHAB CCN1C(=O)CC[C@@H](C(=O)NCc2ccccc2)[C@@H]1c1cccc(Cl)c1 257250699 JNQGDUZWKCOPLF-QUCCMNQESA-N 370.880 3.956 0 40 FHAB Cc1nc(-c2ccco2)sc1CNC(=O)NCCOc1ccccc1 90593466 FFCHEFHFGYVRPR-UHFFFAOYSA-N 357.435 3.590 0 40 FHAB CCn1c(CN2CC[C@@](C)(c3ccccc3)C2)nc2cc(C(=O)O)ccc21 652428425 KQPAUNZTWSXFGX-JOCHJYFZSA-N 363.461 3.918 0 40 FHAB CCC(=O)NC1(C(=O)Nc2ccc(Br)cc2)CCCCC1 75137657 WWZKOTURFVIOPH-UHFFFAOYSA-N 353.260 3.617 0 40 FHAB O=C(NCc1ccc(Cl)cc1)c1cn(Cc2ccc(Cl)cc2)nn1 39643953 NYCJJTKUBQXPIK-UHFFFAOYSA-N 361.232 3.563 0 40 FHAB CCCCCCOc1ccc(/C=C/C(=O)NC[C@@H]2CCCO2)cc1OC 4039402 OWYBOPWDJDKXBK-KSEUIEODSA-N 361.482 3.963 0 40 FHAB COc1ccc(-c2n[nH]cc2CN(Cc2sccc2C)C[C@H](C)O)cc1 12147047 RZMPZJMLAGPTCD-HNNXBMFYSA-N 371.506 3.838 0 40 FHAB COc1ccc(/C=C2\SC(=O)N(Cc3cccc(C(=O)O)c3)C2=O)cc1 13016608 ISBZCYWYYYAQNY-YBEGLDIGSA-N 369.398 3.630 0 40 FHAB C[C@@H](NC(=O)c1ccc(I)cc1)c1ccc(F)cc1 17916189 DZAJMZIBHGHKSX-SNVBAGLBSA-N 369.177 3.921 0 40 FHAB CC(C)C[C@@H](NC(=O)CCn1c(=O)oc2ccccc21)c1ccccc1 18706246 OUECVFVJMFLARJ-QGZVFWFLSA-N 352.434 3.888 0 40 FHAB Cc1ccc(-c2nnc(C3CCN(C(=O)c4ccccc4F)CC3)o2)cn1 19215250 OOYUREODJRXQFQ-UHFFFAOYSA-N 366.396 3.599 0 40 FHAB COc1ccc(O[C@@H](C)CNC(=O)c2cccc3c(C)c(C)[nH]c23)cc1 19576948 GBKYHLFCIZFQMK-ZDUSSCGKSA-N 352.434 3.991 0 40 FHAB CCCn1cnc(NC(=O)c2cc(-c3cccnc3)nc3c(C)cccc23)n1 19664538 FUZONGDRNDVRCF-UHFFFAOYSA-N 372.432 3.859 0 40 FHAB Cn1c(=O)sc2cc(S(=O)(=O)Nc3cccc4ccccc34)ccc21 204092904 LZDAFOVHWGVBCI-UHFFFAOYSA-N 370.455 3.554 0 40 FHAB Cc1ccc2c(C)c(CCC(=O)NCCc3ccc(F)cc3)c(=O)oc2c1 14164628 WEUPQIPSVHFSST-UHFFFAOYSA-N 367.420 3.840 0 40 FHAB CC(=O)c1cccc(S(=O)(=O)N[C@H]2CCSc3c(F)cccc32)c1 16736181 QGJXZNSRHYUSJY-INIZCTEOSA-N 365.451 3.544 0 40 FHAB Cc1ccccc1CSC1=NCCN1C(=O)[C@@H](C)Oc1ccccc1 4120037 PDWWHTKWOQBEBU-MRXNPFEDSA-N 354.475 3.894 0 40 FHAB CSc1ccccc1NC(=O)c1cccn(Cc2ccccc2)c1=O 4940240 YIZNZROGFTWBJI-UHFFFAOYSA-N 350.443 3.871 0 40 FHAB O=C(Nc1cc2c3c(c1)CCC(=O)N3CCC2)c1c(F)cccc1Cl 5154067 OPAGCQRBMOGGIO-UHFFFAOYSA-N 358.800 3.957 0 40 FHAB COc1ccc([C@H]2CC(=O)Nc3[nH]nc(Nc4ccccc4)c32)cc1OC 15085020 FHUXJYWDYQXJFQ-CQSZACIVSA-N 364.405 3.645 0 40 FHAB O=C(Cn1ccc2ccccc21)N1CCN(c2ccccc2Cl)CC1 38490463 NAUMMUUTFUKICS-UHFFFAOYSA-N 353.853 3.644 0 40 FHAB CC(C)Sc1ccc(CC(=O)NCc2cn(-c3ccsc3)nn2)cc1 575617474 CNPDITUPSKQCKM-UHFFFAOYSA-N 372.519 3.688 0 40 FHAB CC(C)[C@H](Sc1nncn1C1CC1)C(=O)Nc1ccc2c(c1)CCC2 30732322 MXRBUAXQAAARCI-KRWDZBQOSA-N 356.495 3.857 0 40 FHAB CCCC[C@@H]1[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)[C@H]2ON1c1ccccc1 101069246 UKOUKZBOOUCPFU-AABGKKOBSA-N 364.445 3.864 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)Nc2noc(-c3ccc(F)cc3)n2)c1C 32624292 HJLBFLLBXDTQBT-ZDUSSCGKSA-N 355.369 3.899 0 40 FHAB C[C@H](CNC(=O)c1cc(F)ccc1Br)N(C)c1ccccc1 32931210 GMPNJZKVJLHYGZ-GFCCVEGCSA-N 365.246 3.843 0 40 FHAB CN1CCN(Cc2ccc(C(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1 22027953 MZSJTZAGIVVAOO-UHFFFAOYSA-N 363.288 3.972 0 40 FHAB CCOc1cc([C@H]2N[C@@H](C(=O)O)CS2)ccc1OCc1cccc(C)c1 807752 WGTNRVFHDJIHAW-APWZRJJASA-N 373.474 3.761 0 40 FHAB CC(C)(C)c1ccc(OC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 826189 YSGPNYKECGFIMK-UHFFFAOYSA-N 351.402 3.857 0 40 FHAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN(CC)CC 1466009 XJOLAWUDLMYOTD-UHFFFAOYSA-N 360.479 3.872 0 40 FHAB biogenic Cc1cccc(NC(=O)COC(=O)c2cccc(Br)c2)c1C 1993399 RMTNEWNKGVVJNT-UHFFFAOYSA-N 362.223 3.861 0 40 FHAB O=C(Nc1ccccc1C(F)(F)F)N[C@@H](Cc1ccccc1)C(=O)O 2402811 UWSXNHNTTUZANQ-AWEZNQCLSA-N 352.312 3.523 0 40 FHAB O=C1c2ccccc2C(=O)N1c1nc(-c2cc3ccccc3oc2=O)cs1 3175302 ALRAROBYPPGTHH-UHFFFAOYSA-N 374.377 3.717 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(Cl)cc2)cc1 3194455 RGOABGPFDSYUNH-UHFFFAOYSA-N 367.854 3.590 0 40 FHAB NC(=O)c1c(NC(=O)CCc2c[nH]c3ccccc23)sc2c1CCCC2 3398299 HEGFULQGRXUKER-UHFFFAOYSA-N 367.474 3.778 0 40 FHAB CCOc1ccc([C@H](CC(=O)O)NC(=O)C[C@H](C)c2ccccc2)cc1 3624701 KLTPKDWETZFLCT-KXBFYZLASA-N 355.434 3.911 0 40 FHAB CCOc1ccc(-c2ccc(SCC(=O)N3CCC(C)CC3)nn2)cc1 4355925 ZGRZWWNBHPSPGN-UHFFFAOYSA-N 371.506 3.893 0 40 FHAB Cc1ccc(C)c(C(=O)COC(=O)c2cc(O)c3ccccc3c2O)c1 4516733 JHIURQCNRSVNIZ-UHFFFAOYSA-N 350.370 3.908 0 40 FHAB CCCC[C@@H](CC)CN[C@@H](CC(=O)Nc1ccc(F)cc1F)C(=O)O 5258741 UAMVQSCENRIJKN-WBMJQRKESA-N 356.413 3.553 0 40 FHAB CC1(C)OC(=O)C(Cc2cn(Cc3ccccc3)c3ccccc23)C(=O)O1 5348379 JMBQNVIDBJTDBX-UHFFFAOYSA-N 363.413 3.684 0 40 FHAB COc1ccc(CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC 5444032 MZBNCRXVRJERHZ-DFLMZXFUSA-N 357.494 3.967 0 40 FHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cc3ccccc3o2)c1 5591635 LASBZFCWCBPRBR-UHFFFAOYSA-N 372.446 3.716 0 40 FHAB CCN(CC)CCCN(C(C)=O)[C@H](C)C(=O)Nc1c(C)cc(C)cc1C 5657018 FZPIMZDJRNFOPS-GOSISDBHSA-N 361.530 3.519 0 40 FHAB CCn1c(C)cc(C(=O)COC(=O)c2ccccc2Br)c1C 5691321 YGKWKHWMMJDMHZ-UHFFFAOYSA-N 364.239 3.927 0 40 FHAB COc1ccc(C(C)(C)C)cc1NC(=O)CSc1nncn1C(C)C 5938123 GCJVOWJCRIROBU-UHFFFAOYSA-N 362.499 3.896 0 40 FHAB CCCN1C(=O)S/C(=C\c2ccccc2I)C1=O 6204425 MEZHWDSOPFRDKX-FLIBITNWSA-N 373.215 3.738 0 40 FHAB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2F)SC1=S 6635815 FGRZCHUUSDRMHZ-OQZOHAQUSA-N 353.440 3.670 0 40 FHAB COc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)c1ccco1 6849398 LBJSBAVMHKMSEJ-SCWSEQNSSA-N 355.434 3.797 0 40 FHAB biogenic Cc1ccccc1-c1noc(-c2nnn(-c3ccc(F)c(Cl)c3)c2N)n1 6868253 RTXXYMBMBDCSHV-UHFFFAOYSA-N 370.775 3.667 0 40 FHAB C#CCn1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c2ccccc21 6967288 RBVDVRBIZCTJOD-DEDYPNTBSA-N 369.424 3.676 0 40 FHAB CN(Cc1ccccc1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S 8061679 AIIDOBFQMKPBEV-UHFFFAOYSA-N 351.479 3.900 0 40 FHAB COc1cc(OC)c(NC(=O)CCc2ccc3c(c2)OCO3)cc1Cl 8705397 QHBCNQHSBSRZGJ-UHFFFAOYSA-N 363.797 3.657 0 40 FHAB CC(=O)N[C@H](CC(=O)Nc1cccc(Br)c1)c1cccs1 8728924 TZJDICZKKXOPFN-CYBMUJFWSA-N 367.268 3.717 0 40 FHAB C[C@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1ccc(Cl)c(Cl)c1 8992345 DWMXPHCUZPLOQU-ZETCQYMHSA-N 368.249 3.779 0 40 FHAB CCc1ccccc1NC1=NN=C(c2ccc3c(c2)CC(=O)N3C)CS1 9321976 PJLCHLMYTSYLAS-UHFFFAOYSA-N 364.474 3.687 0 40 FHAB CCCCn1cnc2cc(NC(=O)COc3ccc(OC)cc3)ccc21 9356224 OFTFTFKAKPZUKN-UHFFFAOYSA-N 353.422 3.863 0 40 FHAB C[C@@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)Nc1ccccc1Cl 9499719 KOXARGKARUHUQP-SECBINFHSA-N 353.205 3.760 0 40 FHAB CCc1nnc(SCC(=O)Nc2ccc(F)cc2F)n1CC(C)C 9582860 BDEAWUZFAUPFKC-UHFFFAOYSA-N 354.426 3.506 0 40 FHAB c1ccc(-c2noc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)n2)cc1 9591803 KUEHFAGFTLJSIK-QGZVFWFLSA-N 363.417 3.845 0 40 FHAB CSc1ccc(C(=O)COC(=O)c2ccc(F)cc2)cc1NC(C)=O 9641948 IHBILRBSEVGJQW-UHFFFAOYSA-N 361.394 3.546 0 40 FHAB O=C(CSCc1nc2ccccc2s1)Nc1ccc2c(c1)OCO2 11101499 QDOWQGBQGSCUPW-UHFFFAOYSA-N 358.444 3.897 0 40 FHAB Cc1cc(F)ccc1NC(=O)[C@@H]1CCCN1c1ncnc2ccccc12 11249972 URHXNJXRSHCQTL-SFHVURJKSA-N 350.397 3.685 0 40 FHAB Cc1cccc(C)c1NC(=O)CSc1nnc(N2CCCC2)n1C1CC1 11375121 DETPVAPTLZLBET-UHFFFAOYSA-N 371.510 3.561 0 40 FHAB Cc1nnc(-c2cn(CC(=O)N3CCCc4ccccc43)c3ccccc23)o1 11695929 ZUTWOZACFJOJPF-UHFFFAOYSA-N 372.428 3.979 0 40 FHAB COc1cc(C(=O)Nc2ccc3c(c2)OCCCO3)ccc1OC(F)F 11723491 MTPZYBKSSBGFMC-UHFFFAOYSA-N 365.332 3.710 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1nc2ccccc2[nH]1 11752856 UEVYAIOIHBBDGF-ZDUSSCGKSA-N 357.841 3.733 0 40 FHAB C[C@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccc(-n2ccnc2)cc1 12529995 AZEZMCVZIKVWGA-KRWDZBQOSA-N 371.444 3.608 0 40 FHAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(Cc3cccs3)n2C)cc1 12748610 UJFOHVCKYSRSCU-GFCCVEGCSA-N 373.503 3.840 0 40 FHAB Cc1ccccc1OCC(=O)Nc1nc(CN2C[C@@H](C)C[C@@H](C)C2)cs1 12773517 KMNONAIKDYAZPH-GASCZTMLSA-N 373.522 3.947 0 40 FHAB CCOc1ccc(CCNC(=O)C2(c3ccccc3)CC2)cc1OCC 12780697 FPYBIDGTPDTJTJ-UHFFFAOYSA-N 353.462 3.875 0 40 FHAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc2ccccc2s1 12886581 AVCYKZSVIRRKAN-OAHLLOKOSA-N 372.515 3.766 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1 14001677 JNPLSOZQTHQYMG-OAHLLOKOSA-N 354.450 3.929 0 40 FHAB C[C@H](NC(=O)c1ccc(Cn2cncn2)cc1)c1ccc2c(c1)CCCC2 14084653 QRRXVIGIZKJFMW-INIZCTEOSA-N 360.461 3.696 0 40 FHAB CC(=O)N[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCCC1 14189424 ROHHGFKWUFUMFZ-AWEZNQCLSA-N 362.779 3.992 0 40 FHAB Cc1ccc(Cn2nc(C)c(NS(=O)(=O)Cc3ccccc3)c2C)cc1 14224685 IWVITUBVNRNLMZ-UHFFFAOYSA-N 369.490 3.799 0 40 FHAB COc1ccc(N2CCn3c(SCc4ccc(F)cc4)nnc32)cc1 16954015 FSBNYRSDMNGCAX-UHFFFAOYSA-N 356.426 3.870 0 40 FHAB Cc1csc([C@H](Cc2ccsc2)NC(=O)Cc2csc(C)n2)n1 19240181 FRAIGKLKXHLJFT-AWEZNQCLSA-N 363.533 3.921 0 40 FHAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 19286814 XBJSGUQUVXRHPM-SFHVURJKSA-N 350.466 3.743 0 40 FHAB CO[C@@H]1CCC[C@H](C(=O)N2CCC(c3onc4c3C[C@H](C)CC4)CC2)C1 19497171 MHGSFUAYPNOSCY-HYVNUMGLSA-N 360.498 3.711 0 40 FHAB CC[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccc(OC)cc1 19933263 BUKQJXXSHZLIHQ-KRWDZBQOSA-N 353.871 3.919 0 40 FHAB O=C(Cc1ccccc1)NCCC(=O)Nc1ccccc1Cc1ccccc1 22240311 RLSNTSQDBUJJIH-UHFFFAOYSA-N 372.468 3.965 0 40 FHAB Cc1cc(C)c(OCC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c(C)c1 22402761 SZZRGQUGUGSMFP-IBGZPJMESA-N 370.493 3.927 0 40 FHAB Cc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCC(C)CC2)cc1 23156847 CHPBFHBJPCBIBE-MRXNPFEDSA-N 356.495 3.935 0 40 FHAB O=C1C(=O)N(CN2CCc3sccc3[C@@H]2c2ccccc2)c2ccccc21 23908047 LOJKBWYGWMLDBL-FQEVSTJZSA-N 374.465 3.883 0 40 FHAB Cc1ccc(C)c2sc(NC(=O)c3ccc(CS(C)(=O)=O)cc3)nc12 24553790 KOFGRBJLKAUOMC-UHFFFAOYSA-N 374.487 3.710 0 40 FHAB COc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1F 27999368 TUERUJDPLFAFBE-UHFFFAOYSA-N 353.397 3.730 0 40 FHAB CC(C)Cc1ccc([C@H](C)N[C@@H](C)C(=O)NC(=O)NC2CCCC2)cc1 28877798 AIJWKZCRCIIXAR-HOTGVXAUSA-N 359.514 3.693 0 40 FHAB Cc1cc(OCC(=O)NCc2ccccc2-n2ccnc2)ccc1Cl 30850580 URMLXARXCZLVQO-UHFFFAOYSA-N 355.825 3.529 0 40 FHAB COc1cc(CN(C)C(=O)c2ccc(C(C)=O)s2)ccc1OC(F)F 32768286 TYSAVQOEQXHBRV-UHFFFAOYSA-N 369.389 3.833 0 40 FHAB O=C1COc2ccc(NC(=O)c3cccc4c5c([nH]c34)CCCC5)cc2N1 32795945 GVVXEFNYQRTIAF-UHFFFAOYSA-N 361.401 3.630 0 40 FHAB O=[S@@](CCOc1cccc(Cl)c1)Cc1nc(-c2cccs2)no1 32801189 MNTABIVOKWDFOZ-HSZRJFAPSA-N 368.867 3.779 0 40 FHAB CC(=O)c1cc2c(cc1NC(=O)Cc1coc3cc(C)ccc13)OCO2 32994736 BVYBWGJHJKYFNL-UHFFFAOYSA-N 351.358 3.854 0 40 FHAB COc1cc(NC(=O)c2ccc(C)cc2)c(C(=O)N2CCCC2)cc1OC 36398355 OUDSLGLIBNSXSV-UHFFFAOYSA-N 368.433 3.501 0 40 FHAB COc1ccc(OC)c(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)c1 39857476 HNBQEXBEJVFQSB-BOPFTXTBSA-N 371.414 3.953 0 40 FHAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1cc[nH]n1 40105387 IEHNTFKCHHYIAC-UHFFFAOYSA-N 366.368 3.790 0 40 FHAB CC(C)(C)c1ccc(O)c(NC(=O)c2nc(N3CCCC3)ncc2Cl)c1 40135754 MBGNVFFVCHDCAF-UHFFFAOYSA-N 374.872 3.986 0 40 FHAB Cn1ccnc1COc1ccc(NC(=O)c2ccc3ccccc3n2)cc1 42763098 SEAZLGCZDNMOPO-UHFFFAOYSA-N 358.401 3.800 0 40 FHAB O=C(N[C@@H]1CCCc2[nH]c(=O)ccc21)c1cccc2c3c([nH]c12)CCCC3 45262168 YBNHCEPOOJYVDX-LJQANCHMSA-N 361.445 3.542 0 40 FHAB CCCc1noc2nc(C3CC3)cc(C(=O)N3CCO[C@H]4CCCC[C@@H]43)c12 46482642 AOQZPRYNOVYIDJ-ROUUACIJSA-N 369.465 3.836 0 40 FHAB C[C@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1ccncc1 48265032 FBUYFHIVBGGOFA-LBPRGKRZSA-N 356.813 3.595 0 40 FHAB Cc1nn(-c2ccccc2)c2c1[C@H](c1cnn(C)c1C)SCC(O)=N2 49549467 LAISODOFNFIEIC-KRWDZBQOSA-N 353.451 3.647 0 40 FHAB CC(C)(C)OC(=O)N(CCCNC(=O)[C@@H]1CC=CCC1)Cc1cccnc1 54776064 IYVMLHWNHITNRU-GOSISDBHSA-N 373.497 3.681 0 40 FHAB COC(=O)N(C)c1ccc(NC(=O)c2ccccc2Br)cc1 56448339 KHWUFQPCIHNBML-UHFFFAOYSA-N 363.211 3.904 0 40 FHAB COc1cc(NC(=O)N(C)Cc2ccc(O)cc2)c(OC)cc1Cl 58109709 CGMUYUWHGMRJJA-UHFFFAOYSA-N 350.802 3.727 0 40 FHAB CCC[C@@H](NC(=O)[C@@H]1CC=CCC1)C(=O)Nc1cccc(N2CCCC2)c1 58323123 JHPIMXCFUCMXLY-YLJYHZDGSA-N 369.509 3.867 0 40 FHAB C[C@H](CCc1ccccc1)CC(=O)NC1CCN(Cc2ccccn2)CC1 58370771 XMJVEWALRFMBQI-LJQANCHMSA-N 365.521 3.821 0 40 FHAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1C 65505101 WOHJTDSTJSTPHK-JYJNAYRXSA-N 356.466 3.588 0 40 FHAB Cc1nccc(C(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)n1 67067863 BRUAPIHWEWXLSX-CQSZACIVSA-N 350.447 3.766 0 40 FHAB O=C(NCC1CCN(c2ccncc2)CC1)c1cccc(C(F)(F)F)c1 70928610 SKFGRDZRGAGJLL-UHFFFAOYSA-N 363.383 3.747 0 40 FHAB Oc1cc(C2CCN(Cc3cccs3)CC2)nc(-c2cccnc2)n1 72392741 JQGHSYOQNCURMC-UHFFFAOYSA-N 352.463 3.685 0 40 FHAB C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)Nc2cccc(Cn3cccn3)c2)C1 75094198 LOKKJESCSAGKEY-KKSFZXQISA-N 370.497 3.630 0 40 FHAB CC[C@H](NC(=O)Nc1ccc(OC)c(OC(F)F)c1)c1cnn(CC)c1 75104741 LEMCWWJOPSQNSK-ZDUSSCGKSA-N 368.384 3.786 0 40 FHAB Cc1cc(C(=O)Nc2ccc(Br)cn2)nn1-c1ccccc1 78784081 AUNLIOHCSFSSEY-UHFFFAOYSA-N 357.211 3.591 0 40 FHAB CN1CCCc2ccc(S(=O)(=O)Nc3ccnn3C3CCCCC3)cc21 79061510 PRBUWVLIOFJNOX-UHFFFAOYSA-N 374.510 3.572 0 40 FHAB CC(=O)Nc1cccc(NC(=O)Cc2ccc3c(c2)CCC(C)(C)O3)c1 79479226 DKQVIZLARCXJKY-UHFFFAOYSA-N 352.434 3.930 0 40 FHAB Cc1ccc2c(c1C)OC[C@H]2NC(=O)N(C)Cc1nc2c(s1)CCCC2 83212555 UBWBUUNDXXPLPV-MRXNPFEDSA-N 371.506 3.914 0 40 FHAB FC(F)n1ccnc1CN1CCN(Cc2cccc3ccccc23)CC1 84598440 LYIWIKKYFATGOY-UHFFFAOYSA-N 356.420 3.749 0 40 FHAB O=C(Cc1cccc(Br)c1)N1C(=O)OC[C@@H]1Cc1ccccc1 95080012 QKFKQBZNBAWXGG-INIZCTEOSA-N 374.234 3.582 0 40 FHAB in-vitro CC(=O)[C@@H]1C[C@H](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1(C)C 95939767 CAFWSKKAEVXHAA-FGTMMUONSA-N 371.477 3.763 0 40 FHAB CCn1ccnc1/C=C/C(=O)N1CCCCC[C@H]1c1noc(C(C)C)n1 96001248 RYVZJTDOAHHGFV-FEAKQIBJSA-N 357.458 3.567 0 40 FHAB Cc1cccc(CN2CC[C@@]3(CCN(Cc4ccc(C)s4)C3)C2=O)c1 96050572 WJSNWCPRSCEGPR-OAQYLSRUSA-N 354.519 3.990 0 40 FHAB Cc1ccsc1CN1CCn2c(COc3cccnc3)cnc2[C@H]1C 96109831 DYGUQHVECDBUDH-OAHLLOKOSA-N 354.479 3.804 0 40 FHAB COc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@H](C4)[C@H]23)ccc1O 100511924 KNUWZJNVRUBDEL-ZTYZJHNASA-N 361.488 3.803 0 40 FHAB CCc1ccccc1N1C(=O)N[C@H]2C[C@@]1(C)Oc1ccc(C(=O)OC)cc12 101085208 LPGBGQFNYOUILP-HRAATJIYSA-N 366.417 3.805 0 40 FHAB CC(C)Oc1ccc(C(=O)N2[C@H]3CC[C@H]2CN(Cc2ccccc2)C3)cc1 101328595 CJOAWQVNOIFJQE-SFTDATJTSA-N 364.489 3.963 0 40 FHAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1Nc1c(Cl)cc(Cl)cc1Cl 101640280 VJMRSAOJZSLDHY-WBAAPLAPSA-N 357.624 3.781 0 40 FHAB CCN(CC(=O)Nc1c(C)cccc1C)S(=O)(=O)c1cc(C)ccc1C 173567645 AOYAQFXQZYDNOV-UHFFFAOYSA-N 374.506 3.570 0 40 FHAB CC[C@@H](NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1)c1ccc(C)cc1 222462407 LHGDKFUNSHRWQA-GOSISDBHSA-N 374.506 3.580 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)NCCCc1ccccc1Cl 225655081 AURKVUOSUHTNPZ-UHFFFAOYSA-N 374.289 3.913 0 40 FHAB CC(=O)Nc1ccc(CC(=O)NCc2cncc(-c3cccs3)c2)cc1 225665365 PQDCVFWLIAMBAG-UHFFFAOYSA-N 365.458 3.627 0 40 FHAB C[C@@H]1CCCN(CCCNC(=S)Nc2cccc(Br)c2)C1 225735579 LUQZEPJJLKQWLS-CYBMUJFWSA-N 370.360 3.858 0 40 FHAB O=C(N[C@@H]1CC[C@H]2OCCO[C@H]2C1)c1cccc(Oc2ccc(F)cc2)c1 244986045 JDEVGXMCDHCZRB-AHRSYUTCSA-N 371.408 3.684 0 40 FHAB Cc1cn2c([C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)cccc2n1 257211448 BYWUUTFUCIZRKR-QGZVFWFLSA-N 351.425 3.731 0 40 FHAB Cc1cnc(CN2CCC[C@@H](c3ccc(-c4c(C)noc4C)cn3)C2)cn1 257249718 JJMUQAHHFBJBAY-GOSISDBHSA-N 363.465 3.831 0 40 FHAB CNc1cc([C@H]2CCCN2C(=O)C2(c3ccc(OC)cc3)CC2)ccn1 257302385 SCSNYQNGASLYQF-GOSISDBHSA-N 351.450 3.527 0 40 FHAB O=C(CSc1nnc(-c2ccccc2Cl)o1)N[C@H]1C[C@H]2CC[C@H]1C2 260492686 IKYCUVQDHMUTNY-MJVIPROJSA-N 363.870 3.787 0 40 FHAB O=C(c1nc2cccnc2s1)N1CCOc2ccc(C(F)(F)F)cc21 513807996 LUKVTNQWOOZYMK-UHFFFAOYSA-N 365.336 3.749 0 40 FHAB CCOC1(C)CCN(Cc2csc(-c3cccc(C(=O)O)c3)n2)CC1 576361806 XVECGVNYHFDXCJ-UHFFFAOYSA-N 360.479 3.899 0 40 FHAB COCc1csc(NC(=O)NC2(c3c(F)cccc3F)CCC2)n1 626412061 KNCXQZRULWMMNZ-UHFFFAOYSA-N 353.394 3.769 0 40 FHAB CCC(=O)Nc1cccc(CNC(=O)N2CCCc3ccccc3CC2)c1 655007928 XPNWPMNWLUQJIQ-UHFFFAOYSA-N 365.477 3.736 0 40 FHAB CC(=O)N[C@H](CC(C)C)C(=O)N1CCC(Cc2ccc(C)c(C)c2)CC1 1527792156 HIGHRVJWAJVDAJ-OAQYLSRUSA-N 358.526 3.635 0 40 FHAB C=CC(=O)Nc1cccc(C(=O)N2CCc3c(F)cc(F)cc3[C@H]2C)c1 1545729776 KRKZLAHLUNEESA-GFCCVEGCSA-N 356.372 3.849 0 40 FHAB Cc1cc(C(=O)N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)no1 1888904211 VSTUHCAMIDDRRE-UHFFFAOYSA-N 362.433 3.823 0 40 FHAB CC(C)(C)OC(=O)N1CCN(c2cc(C(C)(C)C)nc(C3CC3)n2)CC1 1888967304 FGBLCCSWEMIEHJ-UHFFFAOYSA-N 360.502 3.709 0 40 FHAB O=C1N(c2ccccc2)CCCC[C@]12CN(Cc1ccc(F)cc1)CCO2 2037981184 YIVVARRLXUJYMR-QFIPXVFZSA-N 368.452 3.614 0 40 FHAB O=C(c1ccccn1)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 633485 NVYQNUQYALZZJN-UHFFFAOYSA-N 362.410 3.504 0 40 FHAB COc1ccc(NC(=O)COc2ccc(C)cc2Br)cc1 671674 VLKYVRDSMFXUIJ-UHFFFAOYSA-N 350.212 3.784 0 40 FHAB CCc1ccc(-c2csc3ncn(CC(=O)OC(C)C)c(=O)c23)cc1 790712 OVLMSSXZGQZZCK-UHFFFAOYSA-N 356.447 3.639 0 40 FHAB Cc1ccc2c(SCC(=O)N(C)C)nc(-c3ccc(F)cc3)nc2c1 1367700 VUDSAIJIZSRBKE-UHFFFAOYSA-N 355.438 3.925 0 40 FHAB Cc1cc(C)nc(SCNC(=O)COc2ccc(Cl)cc2Cl)n1 1447759 AWEIYMBUYKLVIH-UHFFFAOYSA-N 372.277 3.645 0 40 FHAB CC[C@@H]1CCc2c(sc3ncn4nc(-c5cc(C)nn5C)nc4c23)C1 2803624 UPAZPHNQZHHTLO-LLVKDONJSA-N 352.467 3.563 0 40 FHAB Cc1cc(=O)oc2cc(OCC(=O)c3ccc(OC(F)F)cc3)ccc12 3329503 STDABXAPWRNIKL-UHFFFAOYSA-N 360.312 3.965 0 40 FHAB O=C(O)CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 3893740 QWFOTGYKIXAPED-KRWDZBQOSA-N 356.809 3.883 0 40 FHAB C[C@H](OC(=O)c1cc2c(s1)CCCC2)c1nc2ccccc2c(=O)[nH]1 4274926 OSHWODHOXBHKSV-NSHDSACASA-N 354.431 3.781 0 40 FHAB CCn1c2ccccc2c2cc(CNCCNC(=O)c3ccco3)ccc21 4451572 DXUHBLGPGNRSFI-UHFFFAOYSA-N 361.445 3.927 0 40 FHAB COC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(C)cc3)cc12 4735779 HTLUHVMQLXAYEI-UHFFFAOYSA-N 373.430 3.945 0 40 FHAB Cc1c(CC(=O)NCc2ccccc2Cl)c(=O)oc2c(C)c(O)ccc12 4742753 CDDJGTNBNUQEBU-UHFFFAOYSA-N 371.820 3.628 0 40 FHAB COc1ccc([C@@H](OC(=O)c2cccs2)C(=O)NCCC(C)C)cc1 4889883 ODWXBWPTSSBORZ-QGZVFWFLSA-N 361.463 3.817 0 40 FHAB Cc1cc2c(cc(C(=O)O[C@H](C(=O)NC3CCCCC3)C(C)C)n2C)o1 4967210 HLWFEYZJXYAIPZ-SFHVURJKSA-N 360.454 3.710 0 40 FHAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccccn2)n1C 5100909 VJCDJVHSTVMZCK-UHFFFAOYSA-N 373.869 3.570 0 40 FHAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(Cl)cc1O 5102009 NHXMQILWWJNGLX-UHFFFAOYSA-N 370.188 3.503 0 40 FHAB COc1cc(OC)c(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 5120985 HUTKPZUGKDPPQE-UHFFFAOYSA-N 362.234 3.811 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)c1C 5126903 RGLNQKIHNJIXGV-UHFFFAOYSA-N 357.450 3.776 0 40 FHAB CCn1c(=O)c(C(=O)Nc2ccccc2C(F)(F)F)cc2cccnc21 5304029 FAFRMQDMAMMTSQ-UHFFFAOYSA-N 361.323 3.688 0 40 FHAB COc1ccccc1-c1nn2c(-c3ccc(N(C)C)cc3)nnc2s1 5349084 ZTRVUOJBWXCCLP-UHFFFAOYSA-N 351.435 3.594 0 40 FHAB CCOc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1OCC 5439805 DAVFPKDCKPEHES-UHFFFAOYSA-N 368.433 3.863 0 40 FHAB COc1ccc(OC)c([C@H]2c3cc4c(cc3O[C@@](C)(OC)[C@H]2C)OCO4)c1 6202461 ZTEKYRBIKZVOMH-IOSSYPJHSA-N 372.417 3.956 0 40 FHAB Cc1ccc(NC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cc1F 6508542 UUMKPRKREZUKPA-UHFFFAOYSA-N 354.303 3.521 0 40 FHAB CC[C@H](C)NC[C@@H](O)COC(c1ccc(OC)cc1)c1ccc(OC)cc1 6553079 CIBXAFWEOIRJJM-QFBILLFUSA-N 373.493 3.559 0 40 FHAB CCOC(=O)c1sc(NC(=O)CC2(CC(=O)O)CCCC2)cc1C 6847279 NQBBONBIWBZYEI-UHFFFAOYSA-N 353.440 3.597 0 40 FHAB CCN(CC)CCC[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 7612696 OCGDEGMUPQOUNB-LBPRGKRZSA-N 367.342 3.782 0 40 FHAB Cc1cc(C)cc(-n2nnnc2SCC(=O)Nc2ccc(C)c(C)c2)c1 8022245 ASEVAYLQWRLHAP-UHFFFAOYSA-N 367.478 3.627 0 40 FHAB COc1ccc(/C=C/C(=O)NCCC(=O)Nc2ccc(SC)cc2)cc1 8024064 OAMCCZGFYNTYHP-LFYBBSHMSA-N 370.474 3.575 0 40 FHAB C[C@H](c1ccccc1)N(C)C(=O)/C=C/c1nnc2c3ccccc3cnn12 8404599 XRZMFJPDQWWRFF-RDRICISKSA-N 357.417 3.510 0 40 FHAB Cc1cccc(NC(=O)NC[C@@H]2CN(c3cccc(Cl)c3)C(=O)O2)c1 8839526 FGFMMZCTACKDLQ-MRXNPFEDSA-N 359.813 3.795 0 40 FHAB C[C@@H](NC(=O)[C@H]1COc2ccccc2O1)c1cccc(C(F)(F)F)c1 9683363 PDPPXIAIVNRHLZ-BDJLRTHQSA-N 351.324 3.723 0 40 FHAB COc1cccc(OC)c1C(=O)OCc1ccc(F)cc1Br 9734304 ZFTYUZGIUAHIQJ-UHFFFAOYSA-N 369.186 3.962 0 40 FHAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cccc(C)c2)cc1 9882783 SMKKZEZTTWGEFS-UHFFFAOYSA-N 368.462 3.954 0 40 FHAB CC[C@@H]1CCCCN1C(=O)[C@H](C)N(C)CC(=O)Nc1c(C)cc(C)cc1C 9951084 CSIPSIRASRKUSE-RBUKOAKNSA-N 373.541 3.662 0 40 FHAB Cc1ccc([C@H](CNC(=O)c2ccccc2Br)N(C)C)cc1 10328909 PMLJANYOAVCJIQ-KRWDZBQOSA-N 361.283 3.790 0 40 FHAB O=C(c1ccc(O)cc1)C1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1 12537300 GHQOHSHNIKJABM-UHFFFAOYSA-N 374.440 3.918 0 40 FHAB CN(C(=O)CSc1nccn1C)C(c1ccccc1)c1ccccc1 12880037 PTZLTGXDACSVFU-UHFFFAOYSA-N 351.475 3.760 0 40 FHAB O=C(NCc1ccccc1Cl)c1nn(-c2ccccc2)c2c1CCC2 12882870 WOJDLRLFOJHZGO-UHFFFAOYSA-N 351.837 3.944 0 40 FHAB Cc1ccc(CNC(=O)CCn2c(S)nnc2-c2cccc(C)c2)cc1 12926046 XBDUULWBRZHJAX-UHFFFAOYSA-N 366.490 3.557 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 12973750 VUIPXPUUNJNSRE-GOSISDBHSA-N 363.866 3.972 0 40 FHAB CCN(CC)[C@@H](CNC(=O)Cc1ccc(C)cc1)c1cccc(OC)c1 13008846 FHCGFGVURDNPTI-NRFANRHFSA-N 354.494 3.745 0 40 FHAB Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)[C@@H]3C[C@H]3C)cc2)n1 13228125 ATSJTEWTVOZJLF-RDTXWAMCSA-N 358.445 3.786 0 40 FHAB Cc1ccc(CSc2nc3nc4c(cn3n2)C(=O)CC(C)(C)C4)cc1 13634203 QRSYRHIQCDTRFH-UHFFFAOYSA-N 352.463 3.880 0 40 FHAB CCC[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 14085742 SUJYDBMAFYCDAE-CYBMUJFWSA-N 370.415 3.862 0 40 FHAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(S(C)(=O)=O)c1 14139135 MTJZNGGOAQVCEH-UHFFFAOYSA-N 372.471 3.774 0 40 FHAB Cc1cc(C)c(N2C(=O)C[C@@H](Sc3ccccc3C(=O)O)C2=O)c(C)c1 16899721 QHLQJZYLTNPTHQ-MRXNPFEDSA-N 369.442 3.734 0 40 FHAB O=C(/C=C/c1ccccc1)NC(=S)Nc1nc2ccc(O)cc2s1 17073478 PROXLOCMVXUVEJ-RMKNXTFCSA-N 355.444 3.528 0 40 FHAB COc1ccc(-c2[nH]c3ncccc3c2CN2C[C@@H](C)O[C@H](C)C2)cc1 19497539 SYFATPZOLSEJKU-HUUCEWRRSA-N 351.450 3.848 0 40 FHAB COc1cccc(C(=O)N2CC[C@H](c3ccccc3)[C@H]3NCCCC[C@H]32)c1 19564706 IZPXBWYJYISHMU-YPAWHYETSA-N 364.489 3.836 0 40 FHAB Clc1cccc(OCCc2cc([C@H]3CCCN3c3cnccn3)n[nH]2)c1 19703696 IBELEJNFZSDQPL-GOSISDBHSA-N 369.856 3.816 0 40 FHAB CCc1cc(CN2CCN(CC)CC2)c(NC(=O)c2ccccc2)s1 19880643 IPFNSCBUFFVKGY-UHFFFAOYSA-N 357.523 3.700 0 40 FHAB Cc1ccc(N(CC(=O)Nc2cccc3ccccc23)S(C)(=O)=O)cc1 19946244 STLHSZPNGKENJS-UHFFFAOYSA-N 368.458 3.553 0 40 FHAB CC[C@H](Oc1ccccc1Cl)C(=O)N1CCN(c2ccccc2)CC1 20452215 XWYSLKLUJISDGQ-SFHVURJKSA-N 358.869 3.846 0 40 FHAB CC(C)(C)c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 20512090 SWLGXSQPDMHQHN-UHFFFAOYSA-N 366.505 3.707 0 40 FHAB Cc1cnc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)s1 20736800 YPIVZKOTYCUKBZ-SECBINFHSA-N 370.261 3.750 0 40 FHAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCc2ccccc21)c1ccccc1 21278162 NRXKEZOSCVNUPD-NRFANRHFSA-N 370.452 3.617 0 40 FHAB CC(=O)Nc1cc(NCC(=O)NCCc2ccc(C(C)C)cc2)ccc1F 24368345 CMOBCUBTONKUFE-UHFFFAOYSA-N 371.456 3.678 0 40 FHAB COCc1c(C(=O)N[C@@H]2CCCc3c2cnn3C)sc2cccc(F)c12 24991121 UUBCQKCECDMXQD-CQSZACIVSA-N 373.453 3.728 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)[C@H]2CCCC[C@H]2C)c(Br)c1 28043932 XJZCYVOAZZDUTI-OCCSQVGLSA-N 360.317 3.957 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccnn1Cc1ccccc1 28291071 STFACMOUBINBSM-GOSISDBHSA-N 353.397 3.867 0 40 FHAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)Nc3ncccc3O)c12 28838305 LLEKCFZZLOXJQP-UHFFFAOYSA-N 364.336 3.690 0 40 FHAB C[C@H](C(=O)N[C@@H](c1ccccc1)c1ccccn1)n1cnc2ccccc21 30604262 JOJIXECVGSMCBO-IERDGZPVSA-N 356.429 3.898 0 40 FHAB COc1ccc(CN(C)C(=O)c2cc3cccc(OC)c3o2)cc1OC 30855390 XGFXNIHTIJHSEZ-UHFFFAOYSA-N 355.390 3.731 0 40 FHAB C[C@H]1CN([C@@H](C)CNC(=O)/C=C/c2ccc(Cl)cc2Cl)C[C@@H](C)O1 32429814 BHCQBEMURIRTJE-BVGADEKGSA-N 371.308 3.621 0 40 FHAB Cc1cc(O[C@H](C)C(=O)Nc2ccnn2Cc2ccco2)ccc1Cl 32593349 UZCPMKLQAVHSNC-CYBMUJFWSA-N 359.813 3.892 0 40 FHAB Cc1c(Cl)ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)c1Cl 32601675 PZLKNWTZRUVXIL-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB COc1ccc(-c2nnc(CN(C)CCOc3ccccc3Cl)o2)cc1 32851047 WXWJKJJBNHZZEQ-UHFFFAOYSA-N 373.840 3.909 0 40 FHAB CCn1c(SCC(=O)N2c3ccccc3C[C@H]2C)nc2cccnc21 35289504 SMAHYSNKTXKSIP-CYBMUJFWSA-N 352.463 3.521 0 40 FHAB COc1cccc(CC(=O)NCc2ccccc2CN2CCC[C@@H](C)C2)c1 36394287 UIKUOPRCBZAIJO-GOSISDBHSA-N 366.505 3.786 0 40 FHAB CCOc1cc(C(=O)O)cc(Br)c1OCc1cccnc1 36824959 URNSPJOSIJYLKI-UHFFFAOYSA-N 352.184 3.520 0 40 FHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 37330466 QIDQCLHDUIGVIJ-AEGPPILISA-N 372.387 3.539 0 40 FHAB O=C(Nc1ccccc1-c1ccccc1)[C@H]1CC(=O)N(CC(F)(F)F)C1 40073479 KWJKCWFKQJRETH-AWEZNQCLSA-N 362.351 3.703 0 40 FHAB COc1ccccc1CC(=O)NCc1ccc(OCc2cccnc2)cc1 40106770 NXUAGDUPHYJUSY-UHFFFAOYSA-N 362.429 3.528 0 40 FHAB C[C@H]1CN(Cc2ccccc2CNC(=O)c2ccccc2Cl)C[C@@H](C)O1 48345451 IKOAIRPEYLYASV-IYBDPMFKSA-N 372.896 3.879 0 40 FHAB O=c1c(Cl)c(N2CCc3ccccc3C2)cnn1-c1ccc(F)cc1F 51086551 MPKBCXJERJDDCC-UHFFFAOYSA-N 373.790 3.727 0 40 FHAB O=C(NC1(c2ccc(F)cc2)CCC1)c1ccc2c(O)[nH]c(=S)nc2c1 51419293 QKHMCNGYVLKDIY-UHFFFAOYSA-N 369.421 3.946 0 40 FHAB C[C@@H]1Sc2ccc(C(=O)NC3(c4ccccc4)CCC3)cc2NC1=O 53473028 UOEANZVCDXJTHO-ZDUSSCGKSA-N 352.459 3.929 0 40 FHAB Cc1oncc1C(=O)Nc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1 54349448 RFRJTQUPNPNQJQ-UHFFFAOYSA-N 374.400 3.979 0 40 FHAB O=C(Nc1ccc(C(=O)N2CCCc3cc(F)c(F)cc32)cc1)NC1CC1 55283003 ORQFLXLNUNAALT-UHFFFAOYSA-N 371.387 3.842 0 40 FHAB CCOc1cc(CNC(=O)N(C)Cc2ccco2)ccc1OC(F)F 56410956 NQUDVELMDVGTPX-UHFFFAOYSA-N 354.353 3.621 0 40 FHAB CCC(=O)N[C@@H](CCSC)C(=O)N[C@H](C)c1oc2ccccc2c1C 57036481 WBUYZKKQLMIFAC-HIFRSBDPSA-N 362.495 3.566 0 40 FHAB Cc1cc(C)c(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)c(C)c1 57363998 WGQCGNPCRGAWDL-UHFFFAOYSA-N 355.457 3.512 0 40 FHAB COc1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1OC 57412220 JRMKIYHQGGCDNP-UHFFFAOYSA-N 357.797 4.000 0 40 FHAB O=C(NCCc1cccc2cccnc12)Nc1ccc2c(c1)OC(F)(F)O2 58378115 PYDHOIQYIKBJHV-UHFFFAOYSA-N 371.343 3.921 0 40 FHAB O=C1C[C@@H](c2cccs2)c2c(c(C(=O)O)cn2-c2cc(F)cc(F)c2)N1 61718590 PLWWEUDIAUWKLK-LBPRGKRZSA-N 374.368 3.989 0 40 FHAB CCCCOc1ccccc1/C=C/C(=O)N[C@H](Cc1ccccc1)C(=O)O 62714951 FLXZBEBONZKDOJ-JKIKYLSZSA-N 367.445 3.691 0 40 FHAB CCCCOc1ccc(/C=C/C(=O)N[C@H](C(=O)O)C(C)C)cc1OCC 62715298 CCFXQCQUBCNCKF-JARZOMNASA-N 363.454 3.503 0 40 FHAB CCc1cccc(NC(=O)COc2cc(C)nc(N3CCC[C@@H](C)C3)n2)c1 65101737 HRXWIMQTCCRIPP-OAHLLOKOSA-N 368.481 3.601 0 40 FHAB C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1ncc(-c2ccc(F)cc2)o1 65492707 LQXVSFWLVKOMHI-DYVFJYSZSA-N 365.408 3.848 0 40 FHAB C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)CC2(C(=O)O)CCCC2)cc1 71817317 BCWUBSLDZMPRGC-OAHLLOKOSA-N 372.465 3.675 0 40 FHAB Nc1cc(Cl)c(NC(=O)c2cncc(Br)c2)cc1Cl 72229487 WSWMADJKJAREKR-UHFFFAOYSA-N 361.026 3.985 0 40 FHAB O[C@@H](c1nccs1)c1ccccc1N1CCN(Cc2cccs2)CC1 72340474 GPJXGGSMVKOMGM-GOSISDBHSA-N 371.531 3.609 0 40 FHAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CC[C@H](n2cnc3cccnc32)C1 72366047 ZYGWIMLJUKGUAT-AWEZNQCLSA-N 365.824 3.653 0 40 FHAB COc1ccc(CN2CCC[C@H](c3cccc(-n4ccnc4C)n3)C2)cc1 72379120 ZQCWNXUUQIQYMY-IBGZPJMESA-N 362.477 3.964 0 40 FHAB CCN(CCNC(=O)c1ccc(-c2nnc(C)o2)cc1)c1ccccc1C 76060661 ONLUJWCGOVCCKD-UHFFFAOYSA-N 364.449 3.610 0 40 FHAB O=C(O)c1ccc(S(=O)(=O)Nc2cccc(C(F)F)c2)cc1Cl 78938638 MMQOKDOPTPKFCR-UHFFFAOYSA-N 361.753 3.777 0 40 FHAB O=C(NCCCn1ccnc1-c1ccccc1)c1cc(-c2ccco2)on1 85555082 AMLAYJQEPMEADN-UHFFFAOYSA-N 362.389 3.618 0 40 FHAB Cc1ccc(NC(=O)N2C[C@H](CO)CC[C@@H]2C)c(OCC(F)(F)F)c1 95431764 SRHNKIBEVDWKPO-QWHCGFSZSA-N 360.376 3.561 0 40 FHAB COc1ccc(C(=O)N2CCCCC[C@H]2c2c(C)n[nH]c2C)cc1OC 95453186 SFWRYVRLHVTUMC-INIZCTEOSA-N 357.454 3.801 0 40 FHAB Cc1ccc(CN2CCC3(CC2)C[C@H](OCc2ccncc2)CO3)s1 96106818 VWCUEMDJJRVHQJ-SFHVURJKSA-N 358.507 3.792 0 40 FHAB COc1ccc2c(c1)OCC(/C=C1/N=C(c3ccc(F)cc3F)OC1=O)=C2 96939648 GHSIRHGAIAACDN-REZTVBANSA-N 369.323 3.637 0 40 FHAB O=C(NC[C@H]1CCCN(Cc2cccs2)C1)C12CC(C(F)(F)F)(C1)C2 97165147 SCGOMVINKWPACD-NVPAJSRCSA-N 372.456 3.809 0 40 FHAB O=C(NCc1cc(F)ccc1F)N1CCC[C@H]1c1cccc2c1OCCO2 104804355 JAAQJDHYDCDSLD-KRWDZBQOSA-N 374.387 3.783 0 40 FHAB CC[C@H](C)c1ccccc1N1C[C@H](C(=O)O[C@H](C)c2nnc(C)o2)CC1=O 107346169 QCJBVKXZOLZSPX-GZBFAFLISA-N 371.437 3.549 0 40 FHAB Cn1nccc1C1CCN(C(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 187451022 ICXLNJPYHXOVBB-ICSRJNTNSA-N 366.509 3.721 0 40 FHAB O=C(NC[C@H]1CCCN1c1nc2ccccc2o1)c1cc2ccccc2o1 206771124 FGLYQQGCLMVXEK-OAHLLOKOSA-N 361.401 3.973 0 40 FHAB O=C(c1ccc(F)c(F)c1)N(CCc1cccs1)C1CCOCC1 207962849 DKDTUBDTZNRXGF-UHFFFAOYSA-N 351.418 3.890 0 40 FHAB c1csc(CCNc2ncncc2-c2nc(-c3ccsc3)no2)c1 225580005 AQHWKFBRPZSCNY-UHFFFAOYSA-N 355.448 3.971 0 40 FHAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(OC)nc1)CC(C)(C)O2 225684911 VXKFDDGMGJTUGC-HNNXBMFYSA-N 373.478 3.688 0 40 FHAB COc1cccc(-c2noc(CNC(=S)Nc3cc(C)cc(C)c3)n2)c1 225821741 MHQQZDHAUQVYHQ-UHFFFAOYSA-N 368.462 3.849 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2ccc(N3CCCCC3)c(N)c2)c1 226268584 OTGWZXZTXOPIBX-UHFFFAOYSA-N 355.438 3.529 0 40 FHAB Cc1cccc(Nc2cc([C@H]3CCCN(Cc4nccn4C)C3)ccn2)n1 257242747 IDYQMMNQNFDWOH-SFHVURJKSA-N 362.481 3.642 0 40 FHAB O=C(c1cnccn1)N1CCCC[C@H]1c1ncc(Cc2ccccc2F)o1 257270498 MULYSPJQFRLZCW-SFHVURJKSA-N 366.396 3.562 0 40 FHAB Cn1nccc1C(=O)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257284309 PCDROGHRBSTHMY-INIZCTEOSA-N 370.840 3.630 0 40 FHAB O=C(c1ccc2sccc2c1)N1CCC[C@H]1Cn1cc(C2CC2)nn1 329032816 QFLHAIQSVAIBIQ-INIZCTEOSA-N 352.463 3.675 0 40 FHAB O=C(c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)N1CCCCC1 409382572 UFFLWJNTZBSEMD-FQEVSTJZSA-N 370.474 3.680 0 40 FHAB Cc1[nH]nc2ncc(CN3CCN(CC(F)(F)F)c4ccccc43)cc12 507733809 MGQAYNPSVDGGMI-UHFFFAOYSA-N 361.371 3.655 0 40 FHAB Cc1cc(C(F)(F)F)nn1CC(=O)N1CCCCC[C@H]1c1ccco1 558547098 KRZDXEASEVIGNI-ZDUSSCGKSA-N 355.360 3.947 0 40 FHAB COc1cccc2cc(C(=O)NCC[C@@H](CCO)c3cccs3)oc12 575608807 ZCGUVBDDLRPETD-ZDUSSCGKSA-N 359.447 3.789 0 40 FHAB O=C(N[C@H]1COc2ccccc21)N1CCC(c2ccc3cccnc3n2)CC1 585091093 XJXHVNFPJZLREI-IBGZPJMESA-N 374.444 3.653 0 40 FHAB CCc1ccc(C(=O)N2CC3(C[C@H](OCc4ccccn4)CS3)C2)cc1 585103691 CZDIKIAGAJVXAD-IBGZPJMESA-N 368.502 3.561 0 40 FHAB CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCN1C(=O)C1CC1 643583984 HFCHPNKOHGFMDB-SFHVURJKSA-N 372.509 3.585 0 40 FHAB C=CC(=O)Nc1ccc(O)c(C(=O)N(C)[C@H]2CCCc3ccccc32)c1 1542538025 CTCPSTYKORWTNZ-SFHVURJKSA-N 350.418 3.666 0 40 FHAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(OC(C)C)cc2)c1 1889147540 DRWZIJITLJPYIF-DFNIBXOVSA-N 353.466 3.987 0 40 FHAB O=C(c1cncc(O)c1)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 2087095722 ABRKARGCNZYAIW-UHFFFAOYSA-N 374.444 3.628 0 40 FHAB COC(=O)[C@H](c1cccc(Cl)c1)n1c(O)nc2cc(Cl)ccc21 2362797565 HVNCUZUDEXTSOC-AWEZNQCLSA-N 351.189 3.811 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 885123 FAABZHLRRHMGRD-UHFFFAOYSA-N 362.234 3.811 0 40 FHAB COC(=O)c1cccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)c1C 802974 TXBPPRRJVXAXGX-UHFFFAOYSA-N 374.396 3.534 0 40 FHAB COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(C)(C)C)CC2=O)cc1 800908 PRGOEKQFTNOSTP-HNNXBMFYSA-N 366.461 3.984 0 40 FHAB CC(C)(C)c1ccc(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2)cc1 78544160 UYICSMZNXMCSAP-GOSISDBHSA-N 350.462 3.562 0 40 FHAB CC(C)CNc1nnc(SCC(=O)Nc2cc(C(C)(C)C)no2)s1 23227516 VBIUKJWAXXANJQ-UHFFFAOYSA-N 369.516 3.622 0 40 FHAB O=C(CNc1ccccc1N1CCCC1=O)Nc1cc(Cl)ccc1F 12514893 BMBQZRSACOULFB-UHFFFAOYSA-N 361.804 3.657 0 40 FHAB CC(=O)Nc1cccc2c1CCN(C(=S)N[C@H](C)c1ccccc1)C2 54991166 DSMNIMXHBBOKTH-CQSZACIVSA-N 353.491 3.639 0 40 FHAB O=C(O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2 6919396 SCXZUZWVNQCXLF-UHFFFAOYSA-N 351.786 3.816 0 40 FHAB O=C(Nc1cccc(-c2nnco2)c1)c1ccc(OC[C@@H]2CCCO2)cc1 24696903 FMNLGCCQBAMXJG-SFHVURJKSA-N 365.389 3.547 0 40 FHAB Cc1cc(OCNC(=O)c2ccc(Cl)cc2)nc(SC(C)C)n1 1447760 POBYDGABKOIOMD-UHFFFAOYSA-N 351.859 3.705 0 40 FHAB COc1ccc2nc(C)c(C(=O)NC[C@@H](c3ccsc3)N(C)C)cc2c1 25814043 IRDFBESCTHFLFU-IBGZPJMESA-N 369.490 3.646 0 40 FHAB COc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3Cl)n[nH]2)cc1 57477247 ISUANYCBOSRTNV-UHFFFAOYSA-N 359.788 3.808 0 40 FHAB CCc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)cc1 57416408 IRNKFLFIAFLDCP-OAHLLOKOSA-N 374.843 3.711 0 40 FHAB Cc1cc2nc(NC[C@H](c3cccs3)N(C)C)c3ccccc3n2n1 26761582 FOXFUDPOWSDPGL-MRXNPFEDSA-N 351.479 3.967 0 40 FHAB CC[C@H](Sc1nc(-c2ccc(C)cc2)n[nH]1)C(=O)NCc1ccccc1 12622149 QIPFOGKSZQEZJO-KRWDZBQOSA-N 366.490 3.967 0 40 FHAB CCN1CCN(C(=O)C23C[C@@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)CC1 100561864 WCAGOGZPKWWQEL-LMHXZZLNSA-N 366.549 3.997 0 40 FHAB Cc1c(C(=O)NC2CCN(C(=O)CC(C)C)CC2)sc2ccccc12 58173578 UJILBHVUZAGUJD-UHFFFAOYSA-N 358.507 3.977 0 40 FHAB O=S(=O)(Nc1ccc2nc(N3CCCC3)sc2c1)c1cccs1 12652093 RMHBQAQWUQHPSE-UHFFFAOYSA-N 365.505 3.759 0 40 FHAB Cc1cccc(OCCNC(=O)N[C@@H](C)c2nc(-c3ccccc3)c[nH]2)c1 58066619 QJQVXJYEUVGKSM-INIZCTEOSA-N 364.449 3.824 0 40 FHAB CC(=O)N[C@@H](CC(=O)N[C@H](C)c1cccc(Cl)c1)c1cccs1 10081424 YBTHMCZNTNBRDT-ABAIWWIYSA-N 350.871 3.846 0 40 FHAB COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=S)Nc2ccccc2)cc1 100857960 WBJWPEBEJNZLQQ-KRWDZBQOSA-N 353.447 3.763 0 40 FHAB Cc1ccc(NC(=O)CCCN2C(=O)c3ccc(C)cc3C2=O)c(C)c1 12798171 WABSKXSPWSPKDJ-UHFFFAOYSA-N 350.418 3.627 0 40 FHAB CC(C)Cc1nnc(NC(=O)c2ccc(CN3CCCCC3)cc2)s1 25445460 ODLWWMHFJLEIGY-UHFFFAOYSA-N 358.511 3.975 0 40 FHAB Cc1cc(C)c(N2C(=O)[C@@H]3[C@@H]4CC(=O)[C@H](c5ccccc54)[C@H]3C2=O)c(C)c1 101114660 VWJPUFXKYFMOKC-GSEOLPGOSA-N 359.425 3.571 0 40 FHAB C[C@@H]1CCC[C@H](NC(=O)[C@@H](C)n2c(S)nnc2-c2cccs2)C1 58421315 IJWYQZNVXIHWGR-UTUOFQBUSA-N 350.513 3.551 0 40 FHAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccccc1S(C)(=O)=O 3349475 JJPQOLBLBJOGTO-UHFFFAOYSA-N 361.463 3.649 0 40 FHAB COc1ccc(C)cc1NC(=O)COC(=O)c1nc(Cl)ccc1Cl 3367443 LLOSXPADOQTSPB-UHFFFAOYSA-N 369.204 3.501 0 40 FHAB CNC(=O)c1ccc(Cl)c(NC(=O)c2csc(-c3ccco3)n2)c1 46022470 UJFCQFXUNJCDEC-UHFFFAOYSA-N 361.810 3.668 0 40 FHAB CC[C@H](C)n1nccc1NC(=O)[C@@H](C)OC(=O)c1cc2ccccc2[nH]1 3429920 QSZHHNXGGHJIIS-QWHCGFSZSA-N 354.410 3.519 0 40 FHAB CCN1CCc2nc3sc(C(=O)Nc4ccccc4C)c(N)c3cc2C1 20289936 RVAVISQZYACXLB-UHFFFAOYSA-N 366.490 3.817 0 40 FHAB CCOc1ccc(-c2nonc2NC(=O)COc2cc(C)cc(C)c2)cc1 12062599 XSJFZEJPTZICPO-UHFFFAOYSA-N 367.405 3.770 0 40 FHAB CCCc1noc2nc(C3CC3)cc(C(=O)N[C@H](C)c3ccccn3)c12 46740258 NQSCVQBIGNKCEE-GFCCVEGCSA-N 350.422 3.939 0 40 FHAB O=C(COC(=O)c1cccc2ccccc12)NCc1ccc(Cl)cc1 3439962 UWFKDCLIRJLKMF-UHFFFAOYSA-N 353.805 3.966 0 40 FHAB CCC[C@H](N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)c1ccc(Cl)cc1 95463511 WVTLVYLGWZLITL-OKZBNKHCSA-N 371.930 3.507 0 40 FHAB COC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1C 3420922 FOQCWWDTVVUIOG-UHFFFAOYSA-N 374.849 3.613 0 40 FHAB O=C(NC1CCN(C(=O)/C=C/c2cc3ccccc3o2)CC1)c1ccccc1 12919962 XVXFFMNKDOYYBL-ZHACJKMWSA-N 374.440 3.867 0 40 FHAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 20044018 SSGSIVCDEZXKQO-OAHLLOKOSA-N 352.434 3.782 0 40 FHAB O=C(C[C@@H]1NCCc2c([nH]c3ccccc23)C1=O)Nc1ccc(Cl)cc1 38570995 QKXNAZRJACIQKZ-KRWDZBQOSA-N 367.836 3.547 0 40 FHAB biogenic O=C(NC1CCCC1)c1nnn(-c2ccccc2Cl)c1-c1cccnc1 64676661 MGUFBULYGOZYTQ-UHFFFAOYSA-N 367.840 3.655 0 40 FHAB O=C(COC(=O)c1cccnc1Cl)Nc1ccc(C(F)(F)F)cc1 6064702 HXKWKXZGNWGSSS-UHFFFAOYSA-N 358.703 3.549 0 40 FHAB COc1ccc(OC)c(C(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)c1 6112504 GJYMWRRUCJAAOU-UHFFFAOYSA-N 369.446 3.772 0 40 FHAB Cc1ccc(-c2nnc(S)n2CC(=O)NC(C)(C)CC(C)(C)C)cc1 65494229 KDFRSFMKWVOCOM-UHFFFAOYSA-N 360.527 3.873 0 40 FHAB CCCCCC[C@H](C)NC[C@H](O)COc1ccc(C(=O)OCC)cc1 14094907 VVXQWQNIIRTXJZ-WMZOPIPTSA-N 351.487 3.552 0 40 FHAB O=C1C[C@H](C(F)(F)F)c2scc(S(=O)(=O)c3ccccc3)c2N1 66089642 JPWKCMNPHCOTKU-VIFPVBQESA-N 361.366 3.569 0 40 FHAB COc1ccc(/C=C/C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@@H]32)cc1 5524842 BDEKRAAFNLQIJJ-WFUMWBPUSA-N 362.473 3.851 0 40 FHAB O=C(C1CC1)n1nc(-c2cccnc2)nc1NCc1cccc(Cl)c1 4732431 KTAUUWCKUGJVHZ-UHFFFAOYSA-N 353.813 3.656 0 40 FHAB Cc1ccc(N2C[C@@H](c3nc(-c4cccnc4)no3)CC2=O)cc1Cl 9318561 HMACJGZDESMYMC-ZDUSSCGKSA-N 354.797 3.614 0 40 FHAB Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccc2c(c1)OCO2 6764233 RUMBSHJAVYNYIO-UHFFFAOYSA-N 352.415 3.777 0 40 FHAB O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CC(=O)N(C2CCCC2)C1 6881270 NXYZPJVPAHKAIE-LLVKDONJSA-N 361.492 3.601 0 40 FHAB COc1ccc(CCNC(=O)Cc2coc3cc(C)cc(C)c23)cc1OC 6809787 OILNANSXUDIJSJ-UHFFFAOYSA-N 367.445 3.968 0 40 FHAB CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 9447803 ZWFXBDXTCHUPFL-UHFFFAOYSA-N 372.490 3.528 0 40 FHAB Cc1ccc(Nc2nn[nH]c2C(=O)NCc2ccccc2Cl)cc1C 67283930 ADIKGPLDCBTREF-UHFFFAOYSA-N 355.829 3.749 0 40 FHAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cccc(C(F)(F)F)c2)[C@@H]1C 5981302 DZAUXWGQCGSJEG-JMSVASOKSA-N 357.372 3.803 0 40 FHAB Cc1cccc(-n2c(SCCO)nc3sc(C)c(C)c3c2=O)c1C 7038139 CXGNTINRKNUYCZ-UHFFFAOYSA-N 360.504 3.765 0 40 FHAB C[C@@H](OC(=O)c1csc(-c2ccccc2)n1)C(=O)NC1CCCCC1 7162403 CRLKBOKLPMLALW-CYBMUJFWSA-N 358.463 3.804 0 40 FHAB C[C@@H](NC(=O)CSc1nnc2ccccn12)c1ccc2c(c1)CCCC2 7829499 HTRMPNAUJSCTLN-CQSZACIVSA-N 366.490 3.578 0 40 FHAB Cc1csc(-c2nonc2NC(=O)COc2ccccc2C(C)C)n1 8075438 NSGAHJKQJUWCFV-UHFFFAOYSA-N 358.423 3.642 0 40 FHAB Cc1ccc(-c2nnc(NC(=O)COc3ccc(Cl)c(C)c3)[nH]2)cc1 8117093 WAQGIEDUBUUROP-UHFFFAOYSA-N 356.813 3.759 0 40 FHAB C[C@H](Sc1nnc2sc3ccccc3n12)C(=O)N1CCCCCC1 8780537 NPZMZOJHLWWZMI-LBPRGKRZSA-N 360.508 3.827 0 40 FHAB O=C(Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1 95998706 YKNPSBYSVOSWNU-SFHVURJKSA-N 374.444 3.682 0 40 FHAB Cc1cc(NC(=O)Cc2ccc(Cl)nc2C)n(Cc2ccccc2)n1 89594263 MFGMRQOJNLILGP-UHFFFAOYSA-N 354.841 3.778 0 40 FHAB CCc1ccccc1OCC(=O)N1CCC[C@H]1CC(=O)c1cccs1 75106616 UJOXASJZGPOAKF-INIZCTEOSA-N 357.475 3.953 0 40 FHAB C[C@@H](CNC(=O)c1ccc(NC(=O)N(C)C)cc1Cl)c1ccccc1 89901233 HQWWRBYCTOVJDS-ZDUSSCGKSA-N 359.857 3.967 0 40 FHAB Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(N4CCCC4)ccc(c23)C1=O 408529888 KKRPSXCJQUDQEW-UHFFFAOYSA-N 360.417 3.581 0 40 FHAB COC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc(C)c1-c1ccc(F)cc1 28284580 AVPURTUHITWBQN-ZDUSSCGKSA-N 363.410 3.767 0 40 FHAB CCCCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 409410917 AKLIIXWLIBGUCZ-IBGZPJMESA-N 358.463 3.584 0 40 FHAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(C)c(C(=O)NC(C)C)c1 408597940 WVMCRWVFHVAXFG-UHFFFAOYSA-N 374.506 3.805 0 40 FHAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCCN3CCCCCC3)cc2)C1 38772286 IGOHKKBDCHTTCO-HXUWFJFHSA-N 371.569 3.914 0 40 FHAB COCC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3ccccc3[nH]2)C[C@H]1C(C)C 72320795 ZNFGBIGGDRQBAK-BZSNNMDCSA-N 369.509 3.723 0 40 FHAB biogenic,in-vitro COc1ccc(NC(=O)Cn2cc(-c3ccc(C)cc3)c(N(C)C)n2)cc1 62006980 BIZATPKDNYFYLG-UHFFFAOYSA-N 364.449 3.572 0 40 FHAB O[C@H](CSc1ccccc1)CN1CCN(c2ccc(Cl)cc2)CC1 31666889 ZQCBFAAEASIQQB-SFHVURJKSA-N 362.926 3.615 0 40 FHAB Cc1ccc(/C=C/C(=O)NCCNc2ccc(C(F)(F)F)cn2)s1 36394065 WIAMJOHAMSALLA-FNORWQNLSA-N 355.385 3.712 0 40 FHAB Cn1ccnc1CN1CCC[C@H](c2nccnc2Oc2ccccc2F)C1 72362775 GNEZQLAXLKTOMY-HNNXBMFYSA-N 367.428 3.521 0 40 FHAB CCCCOc1ccc(NC(=O)[C@](C)(CC)OCC)cc1C(=O)OC 225816573 ILABVFPJOKCDJC-IBGZPJMESA-N 351.443 3.796 0 40 FHAB O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccc2c(c1)OCO2 225328241 KAOVQUHTPJKIOF-UHFFFAOYSA-N 352.217 3.971 0 40 FHAB COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1C 223797921 RCFSGZKIIDUTTH-UHFFFAOYSA-N 374.245 3.889 0 40 FHAB O=C(CCC[C@H](O)c1ccc(F)cc1)N1C(=O)CC[C@@H]1c1ccccc1 137607452 UYCXTKYCCPHMEA-MOPGFXCFSA-N 355.409 3.920 0 40 FHAB Cc1cc(OCC(=O)Nc2cc(Cl)ccc2C)nc(N2CCCCC2)n1 44168265 SRPKZSPLAQSEQD-UHFFFAOYSA-N 374.872 3.755 0 40 FHAB COc1ccc(Cl)cc1NC(=O)Cn1ccc(=O)c2cc(C)ccc21 225745739 LVFYEESTKOOMFN-UHFFFAOYSA-N 356.809 3.611 0 40 FHAB Cc1cccnc1OC1CCN(C(=O)c2cnc3ccc(F)cc3c2)CC1 572831372 XHALDLRDIXYVEW-UHFFFAOYSA-N 365.408 3.761 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1cc(OC)ccc1OC 225030063 HPLDVJCSOWXHGI-KUHUBIRLSA-N 373.449 3.747 0 40 FHAB CCCOc1ccc(NC(=O)[C@](C)(OCCC)C2CC2)cc1C(=O)OC 225857584 IRMQUNOVEKRVCQ-HXUWFJFHSA-N 363.454 3.796 0 40 FHAB COc1cccc(-c2nnsc2C(=O)NCc2ccc(Cl)cc2)c1 225764769 NPQFRACTTHINQX-UHFFFAOYSA-N 359.838 3.797 0 40 FHAB COc1cc(/C=C2/N=C(c3cc(C)cc(C)c3)OC2=O)cc(OC)c1OC 97987520 FVCZLOLSPFXTRT-CXUHLZMHSA-N 367.401 3.674 0 40 FHAB CN(C)c1cc([C@@H]2c3ccccc3CCCN2C(=O)c2ccco2)ccn1 96087145 YSPXCLDLPAHCIX-OAQYLSRUSA-N 361.445 3.919 0 40 FHAB Cc1cccc(C)c1NC(=O)C1CCN(C(=O)Cc2ccccc2)CC1 242750186 DGNBYMZDCYMMIF-UHFFFAOYSA-N 350.462 3.723 0 40 FHAB CC[C@H]1CCc2sc(C(=O)Nc3ccc(N4CCOCC4)nc3)cc2C1 26491070 YSJJWJSRBJTKSS-AWEZNQCLSA-N 371.506 3.747 0 40 FHAB Cc1csc([C@H]2CCCCN2C(=O)C[C@H](C(=O)O)c2ccccc2)n1 634877300 KPZXBOHKMNEYCM-JKSUJKDBSA-N 358.463 3.764 0 40 FHAB O=C(c1cn(C2CCC2)nn1)N1CCSC[C@@H]1c1ccc(Cl)cc1 648290641 HZCOTEKUBDUUKZ-MRXNPFEDSA-N 362.886 3.587 0 40 FHAB O=C(O)c1ccc(OCCN2CCC[C@@H]([C@@H]3CCCCO3)C2)c(Cl)c1 656767575 HHVWXBKHEIMCGF-WBVHZDCISA-N 367.873 3.698 0 40 FHAB O=C(NCc1ccc(-c2ccccc2)cc1F)N1C[C@H]2CC[C@H]1[C@H](CO)C2 661222768 AWNUORAQYVOOMC-ZRCAFCQKSA-N 368.452 3.795 0 40 FHAB C[C@@H](O)[C@H](NC(=O)NCCc1ccc(C(F)(F)F)cc1)c1ccccc1 663400466 QOQMNQUGTWCAOE-DYVFJYSZSA-N 366.383 3.669 0 40 FHAB CC[C@H](NC(=O)N[C@@H](c1cccs1)C(C)(C)CO)c1c(C)noc1C 664535601 PRYQRVSNYXLIBJ-BBRMVZONSA-N 365.499 3.863 0 40 FHAB c1cncc(O[C@@H]2CSC3(C2)CN(Cc2ccc4ccccc4n2)C3)c1 585105552 ZMVXYOSDDGCCIX-IBGZPJMESA-N 363.486 3.769 0 40 FHAB C[C@H]1C[C@H](C)CN(C(=O)c2nc3c(o2)CCN(CC2CCCCC2)C3)C1 585112726 UMNZHQDPLBNDIR-HOTGVXAUSA-N 359.514 3.731 0 40 FHAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2C(=O)NC1CCCCC1)c1ccccc1 12499549 HENKLOZAHOILCD-IHWFROFDSA-N 369.509 3.844 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 18092104 ZOFKHZUNANTZQG-CYBMUJFWSA-N 358.825 3.873 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)Oc2ccccc2F)c(OC)c1 19078726 MBSUOADGQWFCBC-KSSFIOAISA-N 373.424 3.974 0 40 FHAB Clc1ccccc1CN1C[C@H]2CCc3nnc(-c4ccncc4)n3[C@H]2C1 19349479 JHSNKUSRGKJVMH-AEFFLSMTSA-N 365.868 3.613 0 40 FHAB C[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)c(N3CCOCC3)s2)C1 19496472 IWCXQFXRFCXRAY-OAHLLOKOSA-N 371.506 3.519 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c2nc3c(cc12)CN(C1CCC1)C(=O)O3 19565662 GBDFFNSZAOVJMP-UHFFFAOYSA-N 352.369 3.735 0 40 FHAB Nc1cccc(Cl)c1NC(=O)COc1ccc(Br)cc1 226359036 DASMQIFRGNQOJB-UHFFFAOYSA-N 355.619 3.702 0 40 FHAB Cc1cnn(CC2CN(C(=O)C3c4ccccc4Oc4ccccc43)C2)c1 1889273841 RELYLTKUJSLEFY-UHFFFAOYSA-N 359.429 3.588 0 40 FHAB O=C(c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)N1CCCCC1 24837425 CQEUOXRMSNRGFB-UHFFFAOYSA-N 356.426 3.761 0 40 FHAB O=C1CC(=O)N(c2cccc(C(F)(F)F)c2)C(=S)N1c1ccccc1 2454980 ZJMAVSVZXWVADZ-UHFFFAOYSA-N 364.348 3.760 0 40 FHAB COc1ccc(C(=O)Nc2nc3c(F)cc(F)cc3s2)cc1OC 2714008 PTRFHUWLYACPCQ-UHFFFAOYSA-N 350.346 3.844 0 40 FHAB O=c1ccc(-c2cccc(Br)c2)nn1Cc1cccc(F)c1 5388318 UAEDJXXPUHYSDT-UHFFFAOYSA-N 359.198 3.860 0 40 FHAB COc1ccc([C@H]2c3cccn3CCN2C(=O)NC2CCCCC2)cc1 12344213 MJYPGGFAFWQHON-FQEVSTJZSA-N 353.466 3.944 0 40 FHAB Cc1ccc2c(c1)c(O)nc1c(C(=O)NCc3ccco3)sc(=S)n12 32946500 XDQYGKCDEVWLSJ-UHFFFAOYSA-N 371.443 3.816 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)NCC1(Sc2ccccc2)CCOCC1 211071197 QNRVTDBVJYCHLO-QGZVFWFLSA-N 371.502 3.912 0 40 FHAB COc1nn(C)cc1C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 36645997 SUIGRHXONHLEBV-UHFFFAOYSA-N 368.462 3.683 0 40 FHAB O=C(NCCSc1nc(-c2ccccc2)c[nH]1)NCc1ccc(F)cc1 38677374 IXVOVAXDVNMHSM-UHFFFAOYSA-N 370.453 3.807 0 40 FHAB Cc1cc(C)n([C@H](CNC(=O)c2ccc3ncsc3c2)c2ccco2)n1 585148145 NVQYOQVKFKRQNX-MRXNPFEDSA-N 366.446 3.722 0 40 FHAB CC1(C(=O)OCC(=O)c2ccccc2)COC(c2ccc(Cl)cc2)OC1 6782458 XSQQFBQQTJAUPD-UHFFFAOYSA-N 374.820 3.818 0 40 FHAB CCc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(C(=O)OC)cc23)cc1 101085216 SYZNFFAQXRIHPL-LAUBAEHRSA-N 366.417 3.805 0 40 FHAB Cc1ccc(CN(C)C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 40103704 GYSCGXQZYVVKIE-UHFFFAOYSA-N 368.405 3.655 0 40 FHAB Cc1c(C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)oc2c(Cl)cccc12 50447272 CIDWODSSTRBBMX-GFCCVEGCSA-N 360.841 3.525 0 40 FHAB COc1ccc(-n2cc(C(=O)O)c3c2[C@@H](c2cccnc2)CC(O)=N3)cc1 40310149 CPRLELMSPPABBX-OAHLLOKOSA-N 363.373 3.703 0 40 FHAB biogenic O=C1c2cccc3cccc(c23)N1C[C@@H](O)COCc1ccccc1F 32765380 NSTAYQZXXLNSKW-MRXNPFEDSA-N 351.377 3.517 0 40 FHAB O=C(COc1cc(Cl)ccc1Cl)Nc1ccc2c(c1)CCC(=O)N2 32817352 CBICEKXIOGUIFC-UHFFFAOYSA-N 365.216 3.896 0 40 FHAB CCCc1ccc(NC(=O)[C@H](NC(=O)COc2ccccc2)C(C)C)cc1 32986262 RKGNGJALUWRNRC-OAQYLSRUSA-N 368.477 3.797 0 40 FHAB CCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 102986726 ZTVSUNWOSNKKIZ-LSOMNZGLSA-N 355.434 3.708 0 40 FHAB CC(=O)c1c(C)cc(C)c(CN2CCN(Cc3ccccn3)CC2)c1C 22134209 KKOINUCEKKISEK-UHFFFAOYSA-N 351.494 3.527 0 40 FHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2C)c1 667728 QDFSJLNFLKBCLR-UHFFFAOYSA-N 353.827 3.544 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(C)c2)cc1 1343063 WIPXNJLLHZWUDM-IBGZPJMESA-N 365.433 3.833 0 40 FHAB COc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccc(C)c(F)c2)cc1 1379837 DTIXCTHLXKZMNZ-SFHVURJKSA-N 371.412 3.778 0 40 FHAB CC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 1424251 KZWBNVWZFMRKQQ-FQEVSTJZSA-N 361.445 3.569 0 40 FHAB O=C(O)c1cccc2c1C(=O)N(c1ccc3c(c1)Cc1ccccc1-3)C2=O 1698876 ICRLKFKCKVNVOS-UHFFFAOYSA-N 355.349 3.757 0 40 FHAB CN1CCN(c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)CC1 2304948 IAAOZTOIHFDXIO-UHFFFAOYSA-N 356.779 3.568 0 40 FHAB Cn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccco1 2387028 TWNRPHAMOCVXDT-UHFFFAOYSA-N 366.805 3.598 0 40 FHAB O=C(Nc1ccccc1)c1sc(=S)n2c1[nH]c(=O)c1ccccc12 3034434 LAHQOFXBSPJCQY-UHFFFAOYSA-N 353.428 3.824 0 40 FHAB Cc1csc(SCc2cc(=O)n3cc(Br)ccc3n2)n1 3406276 PUOFYMRMORJLEK-UHFFFAOYSA-N 368.281 3.514 0 40 FHAB O=C(Nc1ccccc1OC(F)F)[C@@H]1CCCN1C(=O)c1cccs1 3457705 HGTQUDCWHGKSGD-LBPRGKRZSA-N 366.389 3.593 0 40 FHAB Cc1ccc(-n2nnnc2SCC(=O)Nc2cc(Cl)ccc2C)cc1 3498992 LAEINUNQQNGGIQ-UHFFFAOYSA-N 373.869 3.663 0 40 FHAB CN1C(=O)[C@](O)(CC(=O)c2cccc3ccccc23)c2cc(Cl)ccc21 4556188 SPIIAPVZKWRBQI-NRFANRHFSA-N 365.816 3.930 0 40 FHAB C[C@H]1NC(=O)N[C@@H]1CCCCCC(=O)Nc1ccc2c3c(cccc13)CC2 4687140 RWTRESXQFYFWTI-RDTXWAMCSA-N 365.477 3.897 0 40 FHAB Cc1c(CCC(=O)NCc2ccc(F)cc2)c(=O)oc2c(C)c(O)ccc12 4743367 HWXZMDZGHHRUKX-UHFFFAOYSA-N 369.392 3.504 0 40 FHAB CCOC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc[nH]1)n2CC 4829620 QACJQQKQCYCLRT-UHFFFAOYSA-N 357.435 3.536 0 40 FHAB CCOc1ccc(C2=NNC(c3ccncc3)=Nc3ccc(OC)cc32)cc1 5444505 MAQWUMHEBQVODP-UHFFFAOYSA-N 372.428 3.923 0 40 FHAB Cn1c(S[C@H](C(=O)N2CCCCC2)c2ccccc2)nnc1C1CC1 5471941 LLKOJKUFSCYQQS-INIZCTEOSA-N 356.495 3.538 0 40 FHAB CCOC(=O)c1nc[nH]c1-n1nc(-c2cccs2)cc1C(F)(F)F 5799572 BFNZSIFCQWCCRM-UHFFFAOYSA-N 356.329 3.519 0 40 FHAB Cc1cc(OCC(=O)OCC(=O)c2ccc3c(c2)CCC3)ccc1Cl 5994006 RBJWBOUUXYABSR-UHFFFAOYSA-N 358.821 3.942 0 40 FHAB COc1cc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)ccc1OCC#N 6441215 NTTYVUKOJVXCRO-XNTDXEJSSA-N 368.776 3.595 0 40 FHAB O=C(COCc1cc(-c2ccc(F)cc2)on1)NCCCc1ccccc1 6876451 FYKDUAPFSASNJM-UHFFFAOYSA-N 368.408 3.746 0 40 FHAB Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1Cc1cccs1 6903136 SUKPWKRUXDAWKU-UHFFFAOYSA-N 364.521 3.623 0 40 FHAB COc1ccc([C@H](NC(=O)CN2CCc3ccccc32)c2ccccc2)cc1 7359112 VGFYAGQREUKFRQ-XMMPIXPASA-N 372.468 3.964 0 40 FHAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(N2CCCC2=O)cc1 7612520 OLWJEQKJACCJKW-UHFFFAOYSA-N 358.825 3.793 0 40 FHAB CC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=S)NC3=O)c2C)c1 7918718 WSLXSCBXARNCPW-SXGWCWSVSA-N 356.472 3.786 0 40 FHAB COc1cc(C(=O)OCc2nnc(-c3cccs3)o2)ccc1OC(C)C 8230339 UOEJRQGTVWAQOI-UHFFFAOYSA-N 374.418 3.951 0 40 FHAB COc1ccc(C(C)=O)cc1CC(=O)OCc1cc(-c2ccccc2)on1 8370984 VQXMFJYMYWJWBJ-UHFFFAOYSA-N 365.385 3.839 0 40 FHAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1OC 8480235 QPTXMMKQVJSOME-OAHLLOKOSA-N 370.449 3.583 0 40 FHAB O=C(c1cc(-c2csc(COc3ccccc3)n2)c[nH]1)N1CCCC1 9882844 QTCPTYCIKMIJTC-UHFFFAOYSA-N 353.447 3.953 0 40 FHAB COc1cccc([C@H]2CCCN2CC(=O)NCc2ccc(Cl)cc2)c1 10225810 WQFHIYUIHITUBW-LJQANCHMSA-N 358.869 3.802 0 40 FHAB CCCCCOc1cccc(C(=O)Nc2nnc(-c3cc(C)n(C)n3)o2)c1 11027410 HHRXOFCAXDRGMS-UHFFFAOYSA-N 369.425 3.600 0 40 FHAB CC(C)N(CC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccccc1 11035151 PUMTUNMXGFCXSE-UHFFFAOYSA-N 365.477 3.663 0 40 FHAB O=C(NCc1ccc(OC(F)F)cc1)[C@H]1COc2ccc(Cl)cc2C1 11515662 BHRVVTHYLFAAFL-CYBMUJFWSA-N 367.779 3.809 0 40 FHAB Cc1ccc(C)c(C(=O)NC[C@@H](c2cccn2C)N2CCCCCC2)c1 11846315 BONRTLXYJXRVFN-NRFANRHFSA-N 353.510 3.989 0 40 FHAB CCCC(=O)N1CC[C@H](c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)C1 12242070 DAHUNCCKCXXXOE-LBPRGKRZSA-N 368.403 3.988 0 40 FHAB COC(=O)c1ccccc1NC(=O)C1=C(c2ccccc2)SCCO1 12408700 UDWUUCOJCZYCEB-UHFFFAOYSA-N 355.415 3.544 0 40 FHAB CCCNC(=O)c1ccccc1NS(=O)(=O)C1=Cc2ccccc2CC1 12521091 PUBKTOSXYCZMDO-UHFFFAOYSA-N 370.474 3.555 0 40 FHAB CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@@H](C)CCC(C)C 12552040 FWMBVWCHHXKDLJ-MAUKXSAKSA-N 365.493 3.735 0 40 FHAB Cn1/c(=N/C(=O)/C=C/c2ccc(OC(F)F)cc2)sc2ccccc21 12563786 BMYNCBSBIFRZHS-GIFQJZIXSA-N 360.385 3.982 0 40 FHAB Cc1occc1-c1nn(C2CCN(C(=O)CC3CCCCC3)CC2)c(=O)o1 12740111 NIZKKVGHHALREM-UHFFFAOYSA-N 373.453 3.539 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)CCN(C)Cc2ccc([C@H]3C[C@@H]3C)o2)c1 12743126 YTCPXGLSOWDHBT-WMZOPIPTSA-N 361.507 3.926 0 40 FHAB Cc1cc(NC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)no1 12790737 DIPGQLAFWKFVNY-UHFFFAOYSA-N 369.381 3.684 0 40 FHAB COc1cc(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)cc(OC)c1OC 12831330 RJJQOTBPUNEUJV-UHFFFAOYSA-N 367.405 3.663 0 40 FHAB CC[C@@H]1c2ccsc2CCN1C(=O)CNC(=O)c1ccccc1Cl 12925485 HRMFAYVYKRRDMF-OAHLLOKOSA-N 362.882 3.667 0 40 FHAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NCCC1=CCCCC1 13012777 QYIRTXAIGNFXIO-SFHVURJKSA-N 364.436 3.726 0 40 FHAB CC(C)c1ccc([C@H](C)NC(=O)COc2ccc(Cl)cc2C(N)=O)cc1 13095230 HIDUPNDJZKROID-ZDUSSCGKSA-N 374.868 3.819 0 40 FHAB O=C(CCn1ccc2ccc(F)cc21)N1CCN(c2ccccc2)CC1 13728993 FNNOOTSKYFGSRF-UHFFFAOYSA-N 351.425 3.519 0 40 FHAB CN(C)C(=O)CSc1ccccc1C(=O)Nc1ccc2c(c1)CCC2 14014368 JUYXEXYDBJAYIR-UHFFFAOYSA-N 354.475 3.608 0 40 FHAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc(C)c(C)c2)C1=O 14093590 FPLLPSYHGHSLDK-QFIPXVFZSA-N 364.445 3.734 0 40 FHAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(Cn2cncn2)cc1 14806429 NNIVWLCHRAYZHH-UHFFFAOYSA-N 364.449 3.885 0 40 FHAB CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1O 15013185 JCHUDONHCYBNGM-RIYZIHGNSA-N 358.781 3.542 0 40 FHAB Cc1noc2nc([C@H]3CCCN(C(=O)c4cccnc4)C3)cc(C(F)F)c12 19564172 RBTHNARLIDFOJY-ZDUSSCGKSA-N 372.375 3.884 0 40 FHAB Cc1ncc(CN2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cn1 19564392 IUHAGCYXAORIGR-CQSZACIVSA-N 373.407 3.947 0 40 FHAB CC(=O)N1CCO[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 19693006 AYUANZGURRHNNS-GOSISDBHSA-N 364.367 3.611 0 40 FHAB CCSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)CC)cc1 20457810 ZBMLBTWWTFEZIB-UHFFFAOYSA-N 364.492 3.813 0 40 FHAB Cc1cc(C(=O)O[C@@H](C)c2nnc(-c3ccccc3)o2)c2c(C)noc2n1 22613498 CVVDUOGDUAXGIF-LBPRGKRZSA-N 364.361 3.808 0 40 FHAB CCCCCOc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1 23342291 RKWYSTSIDVRNGR-UHFFFAOYSA-N 354.406 3.839 0 40 FHAB CN(Cc1ncc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1cccs1 24216889 HJXIXKRZBVTCID-UHFFFAOYSA-N 368.867 3.877 0 40 FHAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2ccccc2Cl)s1 24749413 YQFKEKSGGSFVSQ-OAHLLOKOSA-N 362.838 3.869 0 40 FHAB C[C@@H]1Oc2ccc(N[C@@H](C)c3nnc(-c4ccccc4)o3)cc2NC1=O 25703856 XKUVISPQBAXNMH-RYUDHWBXSA-N 350.378 3.629 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2cccc(F)c2)cc1 26311204 SVKHLVHBIRLCFQ-HNNXBMFYSA-N 364.486 3.707 0 40 FHAB O=C(CN1CCC(N2CCCCC2)CC1)Nc1cccc2ccccc12 26439248 CGOCNQOZTZPDOV-UHFFFAOYSA-N 351.494 3.729 0 40 FHAB Cc1cccc(-c2nc3s/c(=C/c4ccc(C(C)C)cc4)c(=O)n3n2)c1 26533785 NDNFIRNXQVZNER-LDADJPATSA-N 361.470 3.798 0 40 FHAB CC[C@@H](CNC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccccc1 27014427 BEZQLMCKWFYPNP-SFHVURJKSA-N 350.462 3.733 0 40 FHAB COc1ccc(C(=O)N[C@H](C)c2ccc(-n3cccc3)cc2)cc1OC 28303921 FCYVGUYARKXTJL-OAHLLOKOSA-N 350.418 3.986 0 40 FHAB O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2Nc1ccc(Cl)cc1 32603983 IBUSUGQKYYGPJD-MRXNPFEDSA-N 359.857 3.795 0 40 FHAB O=S(=O)(Nc1cccc(OC[C@H]2CCCO2)c1)c1cccc(Cl)c1 32776762 HTNHQMUMNJTHRG-MRXNPFEDSA-N 367.854 3.699 0 40 FHAB COCc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)o1 32841499 HFCZZNCEBOYQDG-UHFFFAOYSA-N 366.421 3.663 0 40 FHAB CC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)N[C@H]1CCCC[C@H]1C 32908146 OIIRIKGUEFDUCO-ABAIWWIYSA-N 361.511 3.652 0 40 FHAB CC(C)NC(=O)Nc1ccc(CNC(=O)CCCc2cccs2)cc1 32925194 LOUODUFNLSGWQY-UHFFFAOYSA-N 359.495 3.917 0 40 FHAB COc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2C)cc1 35289391 XZBKNLXAAQTMDM-SFHVURJKSA-N 353.422 3.639 0 40 FHAB COc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)ccc1O 36359258 OUHDGXLDVKHSOI-AWEZNQCLSA-N 353.353 3.849 0 40 FHAB O=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 40073368 RHMZUFANENWKPK-GFCCVEGCSA-N 370.261 3.693 0 40 FHAB CCc1ccccc1O[C@@H](C)C(=O)NCc1ccc(CN2CCCC2)cc1 44872832 YITPYQJBKCWXEZ-SFHVURJKSA-N 366.505 3.929 0 40 FHAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 44884625 ZSUOZLYUHAWXSF-HNNXBMFYSA-N 371.868 3.843 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccn(-c2ccccc2)n1 46350669 FMWQLVBOFIBXKB-UHFFFAOYSA-N 359.385 3.702 0 40 FHAB CCOc1ccc(Nc2cc(N)nc(-c3ccc(OC)c(OC)c3)n2)cc1 49468193 HBBQXPNJUWOPSW-UHFFFAOYSA-N 366.421 3.885 0 40 FHAB O=C(CSc1nc2cc(F)c(F)cc2[nH]1)N(C1CCCC1)C1CC1 53769101 AKJOWXMIOQWVMH-UHFFFAOYSA-N 351.422 3.867 0 40 FHAB CC(=O)NCCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 57084371 VLPWERRACGVMJL-KRWDZBQOSA-N 350.871 3.523 0 40 FHAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccc2c(c1)NC(=O)CO2 58014324 PQWMHOXMCJDAKY-UHFFFAOYSA-N 362.385 3.849 0 40 FHAB CSc1ccc(Cl)c(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1 58178802 SUDOWSJIIDBOLD-UHFFFAOYSA-N 361.854 3.505 0 40 FHAB CCC[C@@H]1CCCN(C(=O)CCn2c(=S)[nH]c3ccccc3c2=O)CC1 58415990 YNOFVTGNJTXAMR-OAHLLOKOSA-N 373.522 3.878 0 40 FHAB O=C(N[C@@H]1CCCOc2ccc(F)cc21)N(Cc1ccccn1)C1CC1 65546912 SYHHQOHGBUVGLX-GOSISDBHSA-N 355.413 3.809 0 40 FHAB O=C(Nc1ccc(C(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)cc1)NC1CC1 65815298 LPKMQRMDBYNOLU-WWMCIYDGSA-N 353.466 3.621 0 40 FHAB CC[C@@H](NC(=O)c1ccc([S@@](C)=O)cc1)c1nc(-c2ccccc2)c[nH]1 69419132 XYBGMPLBSLNJCV-QUGAMOGWSA-N 367.474 3.695 0 40 FHAB CCOc1ccccc1NC(=O)NC[C@](O)(c1ccccc1)C(F)(F)F 70636624 LVZNODOHLRNYFO-KRWDZBQOSA-N 368.355 3.657 0 40 FHAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)N[C@@H]1CCCN(c2ccccc2)C1 77710614 LCDOPCJBDVJZQM-GOSISDBHSA-N 361.449 3.867 0 40 FHAB CC(C)Oc1cccnc1C(=O)N(C)Cc1ccccc1N1CCCC1 79507528 YXWYZMDSOVPNAR-UHFFFAOYSA-N 353.466 3.741 0 40 FHAB Cn1ccc(C(=O)Nc2ccc(Oc3ccnc4ccccc34)cc2)cc1=O 95959113 KNOUSUAIZUORKS-UHFFFAOYSA-N 371.396 3.978 0 40 FHAB Cc1cccc(N2C[C@@]3(CCN(C(=O)Nc4ccc(F)cc4)C3)CC2=O)c1 96238535 RYUBEAZYRXQGCL-NRFANRHFSA-N 367.424 3.795 0 40 FHAB CO[C@H](CNS(=O)(=O)c1cccc2ccccc12)c1cccc(F)c1 96388492 KIQQALDVMSZUQU-GOSISDBHSA-N 359.422 3.645 0 40 FHAB COc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(OC)c1 96562380 TXRAPBOQTSWOQW-PDGQHHTCSA-N 369.442 3.983 0 40 FHAB CCOC(=O)c1cccc(NC(=S)NCCSCc2ccco2)c1 107001589 ARIUESVDKVPDSP-UHFFFAOYSA-N 364.492 3.676 0 40 FHAB Cc1ccccc1N(CC(=O)O)S(=O)(=O)c1cc(Cl)ccc1Cl 113874128 OMICXVNTWHNSBO-UHFFFAOYSA-N 374.245 3.582 0 40 FHAB CCc1ccccc1NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 113968274 RZSMFOVQUXOFJL-UHFFFAOYSA-N 374.506 3.742 0 40 FHAB CC1CCN(c2ccc(C(=O)NC(C)(C)CN3CCCCC3)cc2)CC1 141537938 JEZPUHLWTKFXKN-UHFFFAOYSA-N 357.542 3.917 0 40 FHAB CC(C)(CNC(=O)[C@]1(C)CC(c2ccccc2F)=NO1)c1ccccc1F 141567519 BDIDZCGJJXFDRU-NRFANRHFSA-N 372.415 3.942 0 40 FHAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CC 224108999 FAZOEERQFCCWNG-NRFANRHFSA-N 366.505 3.871 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(Cl)c2)cc1 224901439 FZJVMCBLBYSBTP-UHFFFAOYSA-N 373.261 3.777 0 40 FHAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCOCC)nc1 225897522 NSGOCSKUYKPAIY-IBGZPJMESA-N 352.475 3.811 0 40 FHAB CCc1nnc2sc(C3=CCN(Cc4ccccc4Cl)CC3)nn12 226250511 MZEVGHDUXJCZDN-UHFFFAOYSA-N 359.886 3.691 0 40 FHAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)C(C)(C)OC)o1 257221538 DPMNFAYENQZWTK-KRWDZBQOSA-N 372.465 3.753 0 40 FHAB Cc1cc(-c2c(C)noc2C)nc([C@@H]2CCCCN2Cc2cc[nH]n2)n1 257331891 XUSONNGVINZRME-KRWDZBQOSA-N 352.442 3.507 0 40 FHAB c1ccc(CN2C[C@]3(CCN(Cc4cccnc4)C3)c3ncccc32)cc1 306126726 FDKPUYOXHRKGSY-HSZRJFAPSA-N 356.473 3.641 0 40 FHAB COc1cccc(C(=O)Nc2ccc(I)cc2F)c1 408619419 BYUFCMWVKIEBTQ-UHFFFAOYSA-N 371.149 3.691 0 40 FHAB CCc1ccc(C(=O)NC(=S)Nc2ccc(Br)cn2)cc1 408628530 UPQNROXCZJPTPZ-UHFFFAOYSA-N 364.268 3.533 0 40 FHAB Cc1ccn2c(CN3CCCC[C@@H]3c3nnc([C@H]4CCCO4)o3)cnc2c1 583621936 VYHWITPIYRCUHN-IAGOWNOFSA-N 367.453 3.604 0 40 FHAB Cc1nc(C[C@@H]2CCCNCC2)cc(-c2cnc3ccc(Cl)cn23)n1 585262751 CABZHPBAZKHNOY-CQSZACIVSA-N 355.873 3.685 0 40 FHAB Nc1nc(NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)nc2ccccc12 677879247 YVWFTTFBZDYYSZ-ZDUSSCGKSA-N 353.857 3.804 0 40 FHAB O=C(C1CCN(c2ccc3ccccc3n2)CC1)N1CCC(F)(F)CC1 1889133899 HMZUVSHLWGYZIK-UHFFFAOYSA-N 359.420 3.709 0 40 FHAB CCc1ccc(C(=O)N2CCC[C@](O)(COc3ccc(C)c(C)c3)C2)cc1 2037913187 YCYQJVDKKXPGNG-HSZRJFAPSA-N 367.489 3.912 0 40 FHAB CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)Nc1ccc(C)cc1 711280 RUAQKARPNVFSER-UHFFFAOYSA-N 351.402 3.990 0 40 FHAB biogenic O=c1oc2c(cc(NS(=O)(=O)c3cccs3)c3ccccc32)s1 793391 RMPQNJFCVJWVFN-UHFFFAOYSA-N 363.441 3.870 0 40 FHAB CCOc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1OCC 917370 MMFFBYJSLRKGTB-UHFFFAOYSA-N 372.440 3.586 0 40 FHAB O=C(N[C@H](Nc1nccs1)C(Cl)(Cl)Cl)c1ccccc1 1013803 OGXMPKWNIAVMDA-SNVBAGLBSA-N 350.658 3.681 0 40 FHAB COc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc(OC)c1OC 1107903 IEVLBLHBVULADI-UHFFFAOYSA-N 355.312 3.984 0 40 FHAB biogenic,in-vitro O=C(O[C@H](C(=O)NCc1ccco1)c1ccc(Cl)cc1)c1ccco1 1381084 YJTFXFKUJFAXLS-INIZCTEOSA-N 359.765 3.741 0 40 FHAB O=C1S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1CNc1ccc(F)cc1 3092175 AXWVAFPXJQFWGW-PXNMLYILSA-N 372.377 3.660 0 40 FHAB CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc2ccccc2o1 3328181 XOSUYMQAKKZYLD-UHFFFAOYSA-N 366.417 3.932 0 40 FHAB COc1cccc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1 3440965 ZDIIVMCHRVLVKG-UHFFFAOYSA-N 372.424 3.691 0 40 FHAB O=c1[nH]c2ccc(NC(=S)Nc3ccccc3C(F)(F)F)cc2[nH]1 3503640 CVZIOOOLKQYZQH-UHFFFAOYSA-N 352.341 3.684 0 40 FHAB Cn1c([C@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21 4225245 OLEPUJSHSFZSBR-LBPRGKRZSA-N 370.250 3.856 0 40 FHAB CCOc1ccccc1N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 4478352 CERXFJHZAWSIBN-UHFFFAOYSA-N 368.521 3.950 0 40 FHAB O=C(NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1)Oc1ccccc1 4518898 TXPDZGPAMJWZKK-SFHVURJKSA-N 371.414 3.583 0 40 FHAB CSc1cccc(-c2nnc(NC(=O)CCOc3ccccc3)o2)c1 4585593 VZGFCXKKXHXTAP-UHFFFAOYSA-N 355.419 3.866 0 40 FHAB O=C(Nc1nonc1-c1ccc(F)cc1)c1ccc(Br)cc1 5485391 XBETYPFNMLFLIQ-UHFFFAOYSA-N 362.158 3.891 0 40 FHAB Cc1cc(OCC(=O)NC[C@H](c2ccco2)N2CCCC2)ccc1Cl 5704746 SJNMSJJWXVYJAQ-QGZVFWFLSA-N 362.857 3.574 0 40 FHAB Cc1ccc(/C=C/C(=O)OCC(=O)Nc2nc(C)c(Cl)cc2Cl)o1 5938159 HDLOHVYUBJQURS-AATRIKPKSA-N 369.204 3.793 0 40 FHAB O=C(COc1ccc(Cl)cc1Cl)NCCSc1ccccn1 6258262 FARQFNIJHBQTSH-UHFFFAOYSA-N 357.262 3.676 0 40 FHAB CCCCn1nc(C(=O)Nc2cc(F)ccc2C)c2ccccc2c1=O 6429955 YPCLXFBXTMHSGU-UHFFFAOYSA-N 353.397 3.896 0 40 FHAB Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)NC3CCCCC3)C2)c1C 6549729 NAXARLQNSJGRDX-KRWDZBQOSA-N 357.498 3.996 0 40 FHAB COc1cccc(NC(=O)[C@H](C)OC(=O)COc2c(C)cc(C)cc2C)c1 6551678 LJCOSGYIRLDTJG-INIZCTEOSA-N 371.433 3.570 0 40 FHAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NC2CC2)[C@H]1c1cccs1 6875909 NYTXQNAIDORCQS-RTBURBONSA-N 368.502 3.963 0 40 FHAB Cc1occc1-c1nnc(S[C@H](C(=O)NC2CC2)c2ccccc2)o1 7086653 HRVVJNAQXTVZTB-HNNXBMFYSA-N 355.419 3.750 0 40 FHAB CCCNC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 7129979 KQRLAAGTZFRWDQ-JTQLQIEISA-N 351.497 3.541 0 40 FHAB CNC(=O)c1cccc(N[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 7221063 XLKBSPYUFRRGRA-NSHDSACASA-N 365.355 3.504 0 40 FHAB COc1ccc(OCCSc2nnc(-c3ccc(C)cc3)n2C)cc1 7341895 UHOOQYWUKOFZOW-UHFFFAOYSA-N 355.463 3.970 0 40 FHAB COc1ccc(CC(=O)NCc2ccccc2CN2CCCCC2)cc1 7849966 IRWAHONXGYVGDQ-UHFFFAOYSA-N 352.478 3.540 0 40 FHAB COc1ccc2oc(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)c(C)c2c1 8014483 PTOZFLUYVLGGMN-LLVKDONJSA-N 366.373 3.722 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NC(=O)[C@@H]1CC=CCC1 8071954 DBCYZKMBYZKQGJ-CQSZACIVSA-N 364.401 3.962 0 40 FHAB CCCOc1ccc(/C=C2\N=C(c3ccc4c(c3)OCO4)OC2=O)cc1 8179852 FLSVWOAYKBLVNL-YBEGLDIGSA-N 351.358 3.549 0 40 FHAB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccccc4)cc3)C(=O)[C@@H]21 8469987 IFPQSKVYRVLEHW-MDASCCDHSA-N 360.413 3.641 0 40 FHAB O=C(COC(=O)c1cc(C2CC2)nc2ccccc12)NCc1cccs1 8540399 PPAIXEQYFGMDAM-UHFFFAOYSA-N 366.442 3.647 0 40 FHAB CCCOc1ccc2nc(C)c(CN(C)C3CCN(C)CC3)c(O)c2c1 8717143 VGRRGISYSMNGKU-UHFFFAOYSA-N 357.498 3.564 0 40 FHAB O=c1cc(O)c2sc3nc(-c4cccnc4)cc(C(F)(F)F)c3c2[nH]1 8773124 RKJVIPPDRQKDOQ-UHFFFAOYSA-N 363.320 3.924 0 40 FHAB Cc1cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)nn1C 9001711 DLHQFWBXAGFLSK-UHFFFAOYSA-N 364.430 3.963 0 40 FHAB Cc1cc(C(=O)N(Cc2ccccn2)c2nc3ccccc3s2)n(C)n1 9002662 JIBORRBQRKSBAC-UHFFFAOYSA-N 363.446 3.580 0 40 FHAB Cc1csc2nc(CNc3ccccc3SC(F)F)cc(=O)n12 9221102 MMMYODAKJQRXNO-UHFFFAOYSA-N 353.419 3.991 0 40 FHAB Clc1ccc(-c2cnc(COc3ccc(-n4cnnn4)cc3)o2)cc1 9503410 GJRKKPBGXUQQOP-UHFFFAOYSA-N 353.769 3.550 0 40 FHAB C[C@]1(c2ccccc2Cl)NC(=O)N(Cc2cccc3cccnc23)C1=O 10213141 CJWONUGVIIACSM-HXUWFJFHSA-N 365.820 3.855 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(CN3CCCC3)cc2)c1 10336411 LSTNGXCWSSKMHB-UHFFFAOYSA-N 352.434 3.630 0 40 FHAB O=C(CSc1ccccn1)Nc1ccnn1Cc1cccc(Cl)c1 10555349 BNMYCXBNDJIQSG-UHFFFAOYSA-N 358.854 3.711 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H]1CCCN1c1ncnc2ccccc12 11247518 SRCLNOKLBNVLAL-GOSISDBHSA-N 362.433 3.554 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc(Cl)cc1 11326534 IRPVIJLVQXEAHN-UHFFFAOYSA-N 353.809 3.964 0 40 FHAB O=C(c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1)N1CCCC1 11694422 YANCMNBOLUPVOH-UHFFFAOYSA-N 365.408 3.826 0 40 FHAB CCNC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C(C)C 12137187 IOZWNDXLXBRKMJ-UHFFFAOYSA-N 354.450 3.886 0 40 FHAB CC1(C)Cc2nc(N3CCCC3)ncc2[C@@H](NC(=O)C2CCCCC2)C1 12220992 DRYXJWDJBGOGJK-KRWDZBQOSA-N 356.514 3.787 0 40 FHAB Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1C 12293493 TVUCETDCRVUAOQ-SFTDATJTSA-N 367.489 3.688 0 40 FHAB Nc1nc(CSc2nnc(-c3ccc(F)cc3)o2)nc2ccccc12 12534366 FUDBWKUSKSDGFG-UHFFFAOYSA-N 353.382 3.693 0 40 FHAB O=C(c1ccc(-n2cccn2)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12627324 QMRRNDNUFYBOHJ-IBGZPJMESA-N 357.417 3.726 0 40 FHAB O=C(NCc1cc(-c2ccc(Cl)cc2)on1)c1ccc2c(c1)OCO2 12636148 FJXKBPSRGWSURR-UHFFFAOYSA-N 356.765 3.654 0 40 FHAB O=C(Cc1cccc2ccccc12)N1CCC[C@@H]1c1nnc2ccccn12 12846391 GOMVLXGNSNXLPN-LJQANCHMSA-N 356.429 3.789 0 40 FHAB COc1cc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc(OC)c1OC 12867589 NVPSDTNNYOXHGN-GFCCVEGCSA-N 355.390 3.950 0 40 FHAB CCc1ccc(CN(C)C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1 12878820 OCKTVSLDNABHOQ-UHFFFAOYSA-N 365.477 3.939 0 40 FHAB COC(=O)C1=C(C)N(CCc2cccs2)C(=O)N[C@@H]1c1cccs1 12975962 VVJHPLYQFSJTEW-OAHLLOKOSA-N 362.476 3.566 0 40 FHAB CCS(=O)(=O)N1CCc2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc21 13610325 OVPCGNBJMVEGRJ-UHFFFAOYSA-N 372.490 3.576 0 40 FHAB C[C@H]1Sc2ccc(C(=O)Nc3ccc(F)c(F)c3F)cc2NC1=O 15001619 KJRDJUAXVWCKDT-SSDOTTSWSA-N 352.337 3.789 0 40 FHAB Cc1ccc([C@@H](CNC(=O)COc2ccccc2C)N2CCC(C)CC2)o1 15860294 UPRODHQMQDCDDT-LJQANCHMSA-N 370.493 3.865 0 40 FHAB CN1CCN(C(=O)c2ccc(Br)cc2)[C@H](c2ccccc2)C1 18232276 OBOCQMAQZAKFAK-KRWDZBQOSA-N 359.267 3.578 0 40 FHAB CCOc1ccc([C@H]2CCCN2Cc2cnc(N3CCOCC3)s2)cc1 19715686 YECSPGFDSNKOID-LJQANCHMSA-N 373.522 3.716 0 40 FHAB CCc1c(-c2nn3c(-c4ccccc4)nnc3s2)cnn1-c1ccccn1 19910346 PMYSMFCWTAPHLB-UHFFFAOYSA-N 373.445 3.663 0 40 FHAB Cc1cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc(C(=O)O)c1O 20144341 GLXWTDPWIZXAQK-UHFFFAOYSA-N 363.797 3.687 0 40 FHAB Cc1nc2sc([C@H](c3ccc(F)cc3)N3CCC(C)CC3)c(O)n2n1 23157455 PZFVMGYVOUXPFM-HNNXBMFYSA-N 360.458 3.765 0 40 FHAB O=C(CCCc1cccs1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 23879857 HTSQVHAFPPDEBA-INIZCTEOSA-N 372.538 3.795 0 40 FHAB CCCOc1ccccc1OCC(=O)Nc1ccc(-n2ccnc2)cc1 23889425 LZUSTKVJEHHFFO-UHFFFAOYSA-N 351.406 3.679 0 40 FHAB CC(C)c1noc2ncc(C(=O)Nc3ccc(N4CCCCC4)nc3)cc12 25065020 YXYVJJQPWINBEM-UHFFFAOYSA-N 365.437 3.984 0 40 FHAB CCc1ccc(Nc2nnc(SCc3cccs3)n(C)c2=O)cc1 28536767 RFPUNZUAPSFJCE-UHFFFAOYSA-N 358.492 3.835 0 40 FHAB O=C(NCCc1ccccn1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 29440425 IQMPRWUEHRETPE-QFIPXVFZSA-N 370.456 3.748 0 40 FHAB C[C@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccccc1Cl 29764747 GXIIHRLCTNDVNF-AWEZNQCLSA-N 356.853 3.953 0 40 FHAB O=C(Nc1nnc(C2CC2)s1)c1ccc(OCc2ccncc2)cc1 29784119 NBIFPMQAZCKSLJ-UHFFFAOYSA-N 352.419 3.642 0 40 FHAB COc1cccc(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)c1 31663230 WEIXBBWCYXWLAY-UHFFFAOYSA-N 355.369 3.846 0 40 FHAB CCCn1c(C)cc(C(=O)CSc2nc(C)c(C)n2CCOC)c1C 32893998 NGAZCSBXDHXFBV-UHFFFAOYSA-N 363.527 3.950 0 40 FHAB CCCCC(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)CC)CC1 33687878 LZVNBBGJQLTMDX-UHFFFAOYSA-N 351.878 3.527 0 40 FHAB CCc1nc2sc([C@@H](c3cccs3)N3CCC[C@H](C)C3)c(O)n2n1 36104774 CCCRCDJWOSBCLC-SMDDNHRTSA-N 362.524 3.942 0 40 FHAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)[C@@H](C)NC(=O)c1ccco1 39975757 UDLKZWHSQJLFFC-MRXNPFEDSA-N 370.493 3.671 0 40 FHAB CC(C)c1ccc(OC(=O)C2=C(c3ccccc3)S(=O)(=O)CCO2)cc1 40266613 IUWCFAQHDRLQMF-UHFFFAOYSA-N 372.442 3.529 0 40 FHAB CCCOCc1ccccc1CNC(=O)Nc1cnc2c(c1)c(C)nn2C 47099737 IUXZOZQGTWREOB-UHFFFAOYSA-N 367.453 3.525 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 47715231 SZWKAHQRYOGKGK-OAHLLOKOSA-N 374.431 3.513 0 40 FHAB C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1cccc(Cn2ccnc2)c1 48288457 KUDOUDWBAPPHCE-QFBILLFUSA-N 356.470 3.648 0 40 FHAB Cc1c(Cl)cccc1S(=O)(=O)N(C1CC1)[C@H](C)c1ccccn1 48309258 QLJSRMJNUZTQJQ-CYBMUJFWSA-N 350.871 3.958 0 40 FHAB Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)c1cccnc1 55593088 UOTFYYQLRCRSJL-GASCZTMLSA-N 351.450 3.760 0 40 FHAB C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1ccc[nH]c1=S 55628630 IGUUFPYNTXAWEQ-JTQLQIEISA-N 356.369 3.960 0 40 FHAB C[C@H](NCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1 57475461 OTCVIFWBWHMHMR-AWEZNQCLSA-N 371.868 3.756 0 40 FHAB Cc1ccnc(-n2c(S[C@@H]3CCCCC3=O)nc3ccccc3c2=O)c1 57731379 FDBUYDBLRRDBTM-QGZVFWFLSA-N 365.458 3.693 0 40 FHAB Cc1nc([C@@H](NC(=O)Cc2ccc(C(F)(F)F)cc2)c2ccccc2)n[nH]1 57797029 PXMYQPAECUCSQU-KRWDZBQOSA-N 374.366 3.580 0 40 FHAB CN(C)CCOc1ccccc1C(=O)N[C@H]1CCSc2ccc(F)cc21 59856538 SYMCOPKTJJCQNC-KRWDZBQOSA-N 374.481 3.733 0 40 FHAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCN(C)CC(F)(F)F 69924682 ICZIXDGNKZXOOW-CQSZACIVSA-N 374.447 3.752 0 40 FHAB CC1(C)OCC2(CO1)CN(C(=O)c1ccccc1Oc1ccccc1)C2 70971403 AKHIUEKZAQZBGS-UHFFFAOYSA-N 353.418 3.704 0 40 FHAB COc1cc(-c2cc(-c3ccc(F)cc3)nc(N)n2)cc(OC)c1OC 71977711 FQMJWSOFFQQFQC-UHFFFAOYSA-N 355.369 3.558 0 40 FHAB COc1c(C)cc([C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C(=O)O)cc1C 72233817 LELVUHMHGRFSDU-JKSUJKDBSA-N 363.454 3.880 0 40 FHAB O=C(CCc1ccc(F)cc1)N1CCC[C@H]1c1cccc(-n2ccnc2)n1 72378824 RLMKPQUDHVJUSU-IBGZPJMESA-N 364.424 3.703 0 40 FHAB O=C(c1ccco1)N1N=C(c2ccc[nH]2)C[C@H]1c1cccc2nccnc12 75149051 RORUBPPDHMDTBW-KRWDZBQOSA-N 357.373 3.542 0 40 FHAB COc1cccc2c1O[C@@H](C)C(=O)N(c1cccc(Br)c1)C2 75165553 DRNCLWGXOLGQFW-NSHDSACASA-N 362.223 3.772 0 40 FHAB O=C(/C=C/c1cccs1)N1CC(Oc2nc3c(F)cccc3s2)C1 85471125 CZPMNJKXPHWYBD-VOTSOKGWSA-N 360.435 3.800 0 40 FHAB COC(=O)[C@H](NCc1ccccc1OC(F)F)c1cc(C)c(O)c(C)c1 96012829 ADZUCLBFUXWPQK-MRXNPFEDSA-N 365.376 3.614 0 40 FHAB CCCCN(CC)C(=O)c1nc2c(s1)CCCN2c1ccc(C)nn1 96037472 RDTHBEDOAVUVIJ-UHFFFAOYSA-N 359.499 3.588 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1ccccc1OC 96231799 OONJOAWUUIBBPO-SFHVURJKSA-N 350.418 3.993 0 40 FHAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)c3ccccc3F)CC2)C1(C)C 97135870 OUVBSWOXBSIONV-MJGOQNOKSA-N 372.484 3.739 0 40 FHAB Cc1cc(C)c(NC(=O)COC(=O)[C@H](C)c2c(C)n[nH]c2C)c(Cl)c1 97164534 WXUBMRGATXSMAY-LLVKDONJSA-N 363.845 3.582 0 40 FHAB CO[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccsc2)c2nccs2)CC1 100199063 GPTWDJIKKVDLME-QLFBSQMISA-N 350.509 3.810 0 40 FHAB O=C(NC1CCCCC1)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 100789266 XYFFWKNNDVHJII-VURPSTOHSA-N 357.542 3.924 0 40 FHAB biogenic Cc1cc(C)cc(N2C(=O)[C@H]3N=NN(c4ccc(F)c(Cl)c4)[C@H]3C2=O)c1 101260747 YONAABIEVDSBOE-JKSUJKDBSA-N 372.787 3.594 0 40 FHAB CC(C)(Cc1ccccc1)NS(=O)(=O)Cc1c(F)cccc1Cl 223280996 BSVXEFLFDVWTKT-UHFFFAOYSA-N 355.862 3.920 0 40 FHAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)o1 223483000 BOYHCQAMTFFNFD-MSOLQXFVSA-N 350.447 3.551 0 40 FHAB Cc1ccccc1OCC(=O)NCc1cccc(CN2CCCCC2)c1 224642281 HKGVDKMWFKXTGK-UHFFFAOYSA-N 352.478 3.676 0 40 FHAB CN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(Br)cc1 224734085 OTAVUYCDRLDAEZ-UHFFFAOYSA-N 362.195 3.552 0 40 FHAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 225133636 XZJQLRBTMWAAIM-NRFANRHFSA-N 366.505 3.871 0 40 FHAB Cc1ccccc1CN(C(=O)Cc1ccccc1F)[C@@H](C)C(=O)NC(C)C 225496351 HDHCQJZTPHZTMC-KRWDZBQOSA-N 370.468 3.619 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)NCCSCc1ccc(Cl)cc1 225592194 RFLMEPTYCPRPFE-UHFFFAOYSA-N 373.902 3.999 0 40 FHAB CC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1 225602340 WRXUPVWGGBHFQZ-CBGDNZLLSA-N 362.514 3.797 0 40 FHAB C[C@@H]1CCCCN1c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1N 226262447 TVJXBRFDVHPTDG-SECBINFHSA-N 350.677 3.956 0 40 FHAB COc1ccc2oc(C(=O)OCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c(C)c2c1 245263836 BEFBYNRDFVVVTI-OGHNNQOOSA-N 373.449 3.848 0 40 FHAB Cc1nccc(C(=O)N2CCC[C@H](Cc3cccc4cccnc34)CC2)n1 257241992 IAOGPGIHYBBPAQ-KRWDZBQOSA-N 360.461 3.818 0 40 FHAB O=C(c1ccc2ncccc2c1)N1CCCC[C@H]1c1ccn2nccc2n1 257316011 VDTCOQJFIFSLLP-IBGZPJMESA-N 357.417 3.645 0 40 FHAB O=C(NC[C@H]1CCCO1)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 260825636 ILNISRZLVAETCD-GOEBONIOSA-N 371.308 3.501 0 40 FHAB Cc1ccc(C(=O)N2CC[C@]3(CCn4c(-c5cccnc5)cnc43)C2)s1 306137713 RDSBQJWLQRDHQD-FQEVSTJZSA-N 364.474 3.503 0 40 FHAB CC[C@]1(C)CCCN(c2nnc(-c3ccccn3)n2Cc2ccco2)C1 585080669 CXPSVOBCYWRMME-HXUWFJFHSA-N 351.454 3.998 0 40 FHAB Cc1cccc(CN2CC3(C[C@H](OCc4cccc(C)n4)CCO3)C2)c1 585105279 SCFYYHVJRURNJV-OAQYLSRUSA-N 352.478 3.649 0 40 FHAB CC(C)n1cccc1C(=O)N1CCN(Cc2cc3ccccc3[nH]2)CC1 629385706 AUJMZUQWZLPOOY-UHFFFAOYSA-N 350.466 3.508 0 40 FHAB CC(C)(C)c1[nH]cnc1C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 630777316 OQAFMZBINRCRCH-UHFFFAOYSA-N 360.845 3.505 0 40 FHAB O=C(c1coc(-c2c(F)cccc2F)n1)N1CC2(CCOCC2)[C@@H]1C1CC1 643352998 UYKZVBUXLUOCEY-KRWDZBQOSA-N 374.387 3.651 0 40 FHAB CO[C@@H]1CCC[C@H]1[C@H]1COCCN1C(=O)Nc1ccccc1C(C)(F)F 653564443 GQVFCLKFAKCCJR-IAOVAPTHSA-N 368.424 3.846 0 40 FHAB Cc1cccc([C@@H]2CCN(C(=O)N[C@@H](C[C@H]3CCCO3)C(F)(F)F)C2)c1 654263292 GPUZAKHKVFPCEP-ZACQAIPSSA-N 370.415 3.994 0 40 FHAB CC1(C)C[C@]2(CCCN2C(=O)CN2CCCCC2)CN1c1cccc(F)c1 1615119044 HFXHMDSJISMWMA-JOCHJYFZSA-N 373.516 3.662 0 40 FHAB CSc1nc(C2CCC2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)n1 2086896931 ZPYVQMBGNOBZIY-UHFFFAOYSA-N 364.515 3.523 0 40 FHAB O=C(Oc1ccc2ccccc2c1)c1ccc(=O)n(-c2ccc(F)cc2)n1 47440091 VHUZGZMUISJQOL-UHFFFAOYSA-N 360.344 3.744 0 40 FHAB Cc1cc(C(=O)NCc2ccc3c(c2)OCO3)c(C)n1Cc1cccs1 12455833 CHPAAYWXWYULMH-UHFFFAOYSA-N 368.458 3.873 0 40 FHAB CN(C)[C@@H](CNC(=O)CCc1ncc(-c2ccccc2)o1)c1cccs1 23074398 MTXPDQOFOAJIKY-INIZCTEOSA-N 369.490 3.755 0 40 FHAB CCOC(=O)c1cc2sccc2n1CC(=O)N1c2ccccc2C[C@@H]1C 1338140 RUTPMPRKXUCPQD-ZDUSSCGKSA-N 368.458 3.857 0 40 FHAB aggregator CC(=O)c1cccc(NC(=O)NC(C)(C)c2cn(-c3ccccc3)nn2)c1 79072145 QFEGTUPVPBTFQI-UHFFFAOYSA-N 363.421 3.527 0 40 FHAB CC(C)Cc1nc2sc3c(NC[C@H](C)O)ncnc3c2c2c1CCC2 2264402 ZDFNBIGPWCUENG-NSHDSACASA-N 356.495 3.719 0 40 FHAB O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1ccc2ccccc2n1 54348775 FTUUXFXQHAFRLT-UHFFFAOYSA-N 374.444 3.793 0 40 FHAB CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)n2)cc1 104802531 CCJXMTMUVUWPNK-BHYGNILZSA-N 369.490 3.821 0 40 FHAB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2OC)SC1=S 6635816 OXNCGQFETCPDNQ-LQELWAHVSA-N 365.476 3.540 0 40 FHAB CC(C)(C)c1ccccc1OCC(=O)N1CCN(c2ccccc2)CC1 7382508 CUYMLUJLYNVBGO-UHFFFAOYSA-N 352.478 3.712 0 40 FHAB O=C(CN1CCCC1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 1241049 BSORSBJEHBVCGI-QGZVFWFLSA-N 357.841 3.707 0 40 FHAB O=S(=O)(Cc1ccc(Br)cc1)NCCCc1ccccc1 10110363 YBLKZXHOAPXAIL-UHFFFAOYSA-N 368.296 3.501 0 40 FHAB COc1cccc2c1OCC(C(=O)NCc1cccc(C(F)(F)F)c1)=C2 1388119 HZILYKJTVXTJOO-UHFFFAOYSA-N 363.335 3.806 0 40 FHAB Cc1nn(C)c(C)c1CCNC(=O)N[C@H](c1cccs1)C1CCCC1 62028099 GNELPNYVMTVXPA-SFHVURJKSA-N 360.527 3.872 0 40 FHAB Cc1cc(C)c(NC(=O)[C@@H](C)N2CCN(c3ccccc3F)CC2)c(C)c1 57024357 REKWPRDFBBCNKE-GOSISDBHSA-N 369.484 3.900 0 40 FHAB Cc1ccc(-c2noc(CN3CCN(c4ccc(F)cc4)CC3)n2)cc1 57270734 GFNDZQMIFAGELC-UHFFFAOYSA-N 352.413 3.506 0 40 FHAB O=C(COC1CCCC1)Nc1cc(C(F)(F)F)ccc1-n1cccn1 44364951 ACZCSSHLPAXJET-UHFFFAOYSA-N 353.344 3.789 0 40 FHAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc3oc(-c4ccc(C)cc4)nc3c2)C1 57326920 BJNTXSDTADIOGB-OAHLLOKOSA-N 364.401 3.719 0 40 FHAB Cc1cc2oc(=O)cc(CN3CCN(c4ccc(F)cc4)CC3)c2cc1C 54105874 QUOADMSAIQCEGK-UHFFFAOYSA-N 366.436 3.871 0 40 FHAB biogenic Cc1ccc(CNC(=O)COC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1 3383607 LOCLBDJAIVZBKV-CQSZACIVSA-N 357.475 3.655 0 40 FHAB CCOc1ccc([C@H]2C[C@@H](c3ccc(OC)cc3)Nc3ncnn32)cc1 2220691 KGHSQIYQIKCVPT-RBUKOAKNSA-N 350.422 3.832 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N(C)Cc1cscn1 48302824 AAXZSKFHOZXHRK-LLVKDONJSA-N 353.875 3.573 0 40 FHAB COc1cc([C@@H](C)NC(=O)c2cnc(C)cn2)ccc1OC1CCCC1 48339204 PXJDLRAWQMREQB-CQSZACIVSA-N 355.438 3.606 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)c1sc(-c2ccccn2)nc1C 12893451 VQLOWMHOMLVECQ-UHFFFAOYSA-N 367.430 3.943 0 40 FHAB CC(=O)c1c(C)nn(C[C@@H](O)Cn2c3ccccc3c3ccccc32)c1C 36640153 HQIVDRCYMDXLDN-KRWDZBQOSA-N 361.445 3.872 0 40 FHAB O=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)NCc1ccccc1 2407338 JSTDDKHKKOWRFF-UHFFFAOYSA-N 372.494 3.621 0 40 FHAB COc1ccc(CC(=O)Nc2nn(C)c3nc4c(C)cccc4cc23)cc1 2424383 KSODQWBNOCORLN-UHFFFAOYSA-N 360.417 3.620 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)Nc2cccc(N3CCCC3=O)c2)c(C)c1 28912107 MBHMBLSJKFLZNO-MRXNPFEDSA-N 351.450 3.869 0 40 FHAB O=C(COc1ccc2ccccc2c1)N1CCO[C@@H](c2ccc(F)cc2)C1 29112595 YDLPNAPDIXMAMG-OAQYLSRUSA-N 365.404 3.958 0 40 FHAB COc1ccc2c(c1)CCCN2C(=O)CSc1ncnc2ccccc12 29343636 FSLSXWDGDKAJOY-UHFFFAOYSA-N 365.458 3.710 0 40 FHAB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](F)[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118930381 BSKXCSHQVSHDCE-DAMZQARASA-N 352.490 3.658 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)OCC(=O)N1CCC[C@H]1c1cccs1 24600756 WBQFBYNXOXRFPM-KRWDZBQOSA-N 368.458 3.679 0 40 FHAB C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCc2sccc2C1 12214300 LELBYIVDEXTYJB-CQSZACIVSA-N 370.518 3.749 0 40 FHAB Cc1ccc([C@@H](CNC(=O)COc2c(C)cccc2C)N2CCCC2)cc1 27749452 BUCWASZDXZOMKJ-OAQYLSRUSA-N 366.505 3.944 0 40 FHAB Cc1sc(NC(=O)CN2CCSC2=O)nc1-c1ccc(F)c(F)c1 12977971 GGBQOSBOMAKGMK-UHFFFAOYSA-N 369.418 3.504 0 40 FHAB CCc1ccc([C@H](NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)C(C)C)cc1 12972744 DIUJCRIUROVJGC-POAQFYNOSA-N 360.523 3.516 0 40 FHAB O=C(COc1ccc(C(F)(F)F)cc1)c1c[nH]c(C(=O)N2CCCC2)c1 12937192 FSZMSAKOAKJOEM-UHFFFAOYSA-N 366.339 3.531 0 40 FHAB O=C(Nc1ccc(C(=O)n2cccc/c2=N\C2CCCCC2)s1)C1CC1 12911929 BEZSYOGNYJSODP-HEHNFIMWSA-N 369.490 3.820 0 40 FHAB Cc1cc(C)n(C[C@H](C)C(=O)N[C@H]2[C@H](c3ccccc3)[C@H]3CCC[C@H]32)n1 409412855 SUMNUBBZRYWASY-UURVTBTISA-N 351.494 3.835 0 40 FHAB O=C(NC1=NCCS1)c1ccccc1-c1ncc(-c2ccccc2F)o1 13005442 VATNMJKOKWKEFW-UHFFFAOYSA-N 367.405 3.980 0 40 FHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccc(C(F)(F)F)c1 6083441 DMWWXKBALYWUFJ-UHFFFAOYSA-N 354.303 3.555 0 40 FHAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3cn4ccccc4n3)c2)C1 6244495 NMJSVLKCZCJSDG-HZPDHXFCSA-N 369.490 3.668 0 40 FHAB O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccn(-c2cccc(F)c2)n1 65475567 KADYEJAZCUIHCH-NRFANRHFSA-N 372.403 3.926 0 40 FHAB C[C@@H](OC(=O)c1cc2c(s1)CCCC2)C(=O)N1CCc2ccccc21 5307570 IXCVGICWMJSMNN-CYBMUJFWSA-N 355.459 3.762 0 40 FHAB O=C(c1cc2c(s1)CCCC2)N1CCC[C@H]1c1nnc2ccccn12 14161366 FQCFJNYMSGVCQJ-AWEZNQCLSA-N 352.463 3.647 0 40 FHAB Cc1c(C(=O)NCc2nnc3ccccn23)oc2c1ccc1ccccc12 14137717 LLBRXGIJYCJQHD-UHFFFAOYSA-N 356.385 3.867 0 40 FHAB C[C@@H](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccc(F)c(F)c1 14900077 OOLZNCXDIDPJPZ-DOMZBBRYSA-N 358.388 3.733 0 40 FHAB CC(C)C[C@H]1C[C@@H](NC(=O)Nc2ccn(Cc3ccccc3)n2)CCO1 95464582 AUQOXHHUHTXKLZ-ROUUACIJSA-N 356.470 3.647 0 40 FHAB CCCN1C(=O)COc2ccc(-c3csc(NC(=O)CC(C)C)n3)cc21 19820273 XGRMJFVOWKGLKO-UHFFFAOYSA-N 373.478 3.930 0 40 FHAB O=C(COc1ccc2ccccc2c1)Nc1ccc(N2CCOCC2)cc1 4902141 RNLRMKUNFAPXFC-UHFFFAOYSA-N 362.429 3.694 0 40 FHAB O=C(Nc1ccccc1)c1ccccc1NS(=O)(=O)c1cccs1 7050829 KIOMQHBLHFOSLO-UHFFFAOYSA-N 358.444 3.801 0 40 FHAB Cc1nc(S[C@@H](C)C(=O)NC(=O)NC(C)(C)C)n(C2CCCC2)c1C 7178879 MAKYUNJRRQXMRL-ZDUSSCGKSA-N 366.531 3.720 0 40 FHAB Cc1nc(C)c(CCC(=O)Nc2ccccc2Cc2ccccc2)c(=O)[nH]1 9500471 QYIXPDJIDLYKMA-UHFFFAOYSA-N 361.445 3.549 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Oc2ccc3c(C)cc(=O)oc3c2)c1C 7549924 NHGQKGVQFIRFAI-AWEZNQCLSA-N 367.401 3.899 0 40 FHAB O=C(OCc1ccccc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 7537627 HWADAXYECATHPK-UHFFFAOYSA-N 357.837 3.936 0 40 FHAB CC(C)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 28208335 XYQHDOVDWQRUIM-UHFFFAOYSA-N 374.506 3.632 0 40 FHAB O=C(Cc1c(Cl)cccc1Cl)N1CCN(c2ccccc2O)CC1 7951882 XSGYAGAPCIZORT-UHFFFAOYSA-N 365.260 3.590 0 40 FHAB CCn1c(S)nc2cc(C(=O)Nc3cccc(SC)c3)ccc2c1=O 16598489 VIVVVPDOJCSVRV-UHFFFAOYSA-N 371.487 3.679 0 40 FHAB C[C@H]1C[C@@H](Sc2nnc(-c3cccs3)n2-c2ccccc2)C(=O)O1 8192538 DRLUQTPLXBXKEB-SMDDNHRTSA-N 357.460 3.792 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc(C)cc2Br)cc1C 19943417 AYEKOGGMZRVRNS-UHFFFAOYSA-N 370.268 3.875 0 40 FHAB C[C@H]1C[C@@H](C)CN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 18030118 KTFAQCRYKCNWHQ-GASCZTMLSA-N 362.901 3.697 0 40 FHAB O=C1CSc2ccc(C(=O)N3CC=C(c4ccccc4)CC3)cc2N1 8734696 OOFWUGRYIJUEJR-UHFFFAOYSA-N 350.443 3.660 0 40 FHAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(C)c(C)c1)cn2C 22237160 VGQRUHGQRPKIBX-UHFFFAOYSA-N 350.418 3.806 0 40 FHAB COc1ccc(CNc2cn(C)nc2-c2ccncc2)cc1Br 95455347 FUIZZDOUUHNNRC-UHFFFAOYSA-N 373.254 3.865 0 40 FHAB CCc1ccc(-c2ccc3c(c2)-c2c(cnn2CC)S(=O)(=O)N3C)cc1 95587174 LWMFYSSKMYKGNI-UHFFFAOYSA-N 367.474 3.938 0 40 FHAB in-vitro CC(C)n1ccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)n1 95958947 WNTPAJRMONMCPB-HNNXBMFYSA-N 354.454 3.731 0 40 FHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@@H]2C[C@@H]2C2CCCCC2)c1 95939131 DZHCMHHFHPDQNA-FXAWDEMLSA-N 371.481 3.550 0 40 FHAB CCN(CCOc1ccccc1)CCN(CC)CCOc1ccccc1 22581216 BBGLIPLEMLVXGZ-UHFFFAOYSA-N 356.510 3.788 0 40 FHAB Cc1cccc([C@@H](C)C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)c1 545452809 UFBSHVVVWXDGJQ-MRXNPFEDSA-N 364.445 3.776 0 40 FHAB NC[C@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 218646792 BRRGQCIVCSWALV-OWCLPIDISA-N 356.274 3.508 0 40 FHAB COc1ccccc1C1(CNC(=O)N[C@H]2CCCOc3ccccc32)CC1 522470221 LMMGOLJXKAUTSB-SFHVURJKSA-N 366.461 3.940 0 40 FHAB O=C(NCc1ccc(Cl)s1)N1CCN(c2cccc3[nH]ccc23)CC1 527652339 NEXNYBXEOYVQOU-UHFFFAOYSA-N 374.897 3.915 0 40 FHAB Cc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3cc(C)cc(C)c3)n2)cc1 219552329 MHGOFEXILMBBGX-MRXNPFEDSA-N 365.433 3.746 0 40 FHAB O=S(=O)(Cc1c(F)cccc1Cl)N[C@H]1CCCc2ccccc21 38772370 BPPGEWSGDDWJLH-KRWDZBQOSA-N 353.846 3.976 0 40 FHAB NC[C@@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 218646871 BRRGQCIVCSWALV-HRCADAONSA-N 356.274 3.508 0 40 FHAB O=c1c2c3c(sc2ncn1Cc1nc2ccccc2s1)CSCC3 32850517 WIRGOTCIJWHRMC-UHFFFAOYSA-N 371.512 3.905 0 40 FHAB COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1cccc(Cl)c1 38841852 PXXTUBBLCCJTKH-UHFFFAOYSA-N 357.793 3.927 0 40 FHAB in-vitro CCc1cccc(C)c1NC(=O)CN(C)Cc1cc(F)cc2c1OCOC2 32937640 FMJWXWXGLSQVOJ-UHFFFAOYSA-N 372.440 3.634 0 40 FHAB CCCCCC[C@H](O)C/C=C/CCCCCCCC(=O)OC[C@H](O)CO 35052109 HDIFHQMREAYYJW-WQEUXLNQSA-N 372.546 3.891 0 40 FHAB Cc1ccc(CC(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)cc1 32817301 SZUSOAGRUJHRIF-UHFFFAOYSA-N 357.475 3.893 0 40 FHAB O=C(NC1CCCC1)[C@H]1CCCN(c2ncnc3c2oc2ccccc23)C1 33290478 BFIINOBIJUTVKS-AWEZNQCLSA-N 364.449 3.651 0 40 FHAB CCc1nc(CNC(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)cs1 567567969 GYIZDPVVOOPKLM-SFHVURJKSA-N 371.506 3.769 0 40 FHAB CCCCc1ccc(NC(=O)Cn2c(CC)nc3ccccc3c2=O)cc1 40478715 WZQADETXCSCWBS-UHFFFAOYSA-N 363.461 3.940 0 40 FHAB COC(=O)Cc1csc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)n1 47339124 VWXIIVQDOZHEHG-HWKANZROSA-N 371.245 3.817 0 40 FHAB O=S(=O)(Cc1ccccc1Cl)Nc1nnc(-c2ccccc2)s1 225593059 GDSFAAXMSOZPGP-UHFFFAOYSA-N 365.867 3.800 0 40 FHAB Cc1cccc(CN(C(=O)Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 222713232 ISVUVGLEZQUNIS-GOSISDBHSA-N 366.505 3.870 0 40 FHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)[nH]1 223333019 GHCLJERQZKTIDB-ROUUACIJSA-N 352.463 3.792 0 40 FHAB O=C(O)c1ccccc1[C@@H]1c2sc(=O)[nH]c2S[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]21 137974265 CVZSTKXZJGBVGW-GAYPLBFYSA-N 359.472 3.787 0 40 FHAB COc1ccccc1NC(=O)Nc1ccccc1C(=O)N1CCCCC1 225768171 XVHFMQIGVJTXIR-UHFFFAOYSA-N 353.422 3.965 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2snnc2-c2ccc(C)cc2)cc1 225775169 VMUXAEVGZUIMSB-UHFFFAOYSA-N 352.419 3.724 0 40 FHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 222797928 BCDPDKNCOCTGHU-OALUTQOASA-N 364.474 3.570 0 40 FHAB Cn1cc(NC(=O)Nc2cccc(OCc3cscn3)c2)c(C2CC2)n1 573535698 UCBOBKPLEWJMCP-UHFFFAOYSA-N 369.450 3.977 0 40 FHAB CCOc1ccc(C(=O)Nc2c(Br)cc(N)cc2OC)cc1 227147228 VPRHNEYXPNRUCG-UHFFFAOYSA-N 365.227 3.691 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)cc1 224776610 YHSBMRUOGGDZNM-GOSISDBHSA-N 353.462 3.627 0 40 FHAB CCC(=O)N1N=C(c2cc(OC)c(OC)c(OC)c2)C[C@@H]1c1ccccc1 96191647 MKEZMJOFFXUJJZ-QGZVFWFLSA-N 368.433 3.800 0 40 FHAB O=C(Nc1cccc(F)c1)[C@H]1C[C@]12CCN(C(=O)CCc1ccccc1)C2 96075048 KZTDVOOMGROPSQ-KNQAVFIVSA-N 366.436 3.636 0 40 FHAB CC(C)(C)OC(=O)N1CCCCC[C@@H]2[C@H]1CCN2C(=O)c1cncs1 257331102 XRJABKFXNYECSC-ZIAGYGMSSA-N 365.499 3.537 0 40 FHAB CC(C)[C@H](NC(=O)NCc1ccnc(N2CCCC2)c1)c1ccccc1 26302865 ADKXYTQUEWKNEA-FQEVSTJZSA-N 352.482 3.878 0 40 FHAB O=C(c1cnc2ccccc2c1)N1CCCC[C@H]1c1ccn2ccnc2n1 257251803 JSIBBMVQCSCXFY-IBGZPJMESA-N 357.417 3.645 0 40 FHAB Cn1ccnc1SCC1CCN(C(=O)c2nc3ccccc3s2)CC1 90608206 KITRNHIGEXAXJC-UHFFFAOYSA-N 372.519 3.674 0 40 FHAB C[C@H](OC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1nc2ccccc2[nH]1 64358985 XHBODTRPBVIREB-WFASDCNBSA-N 359.426 3.567 0 40 FHAB COc1ccc(C[C@@](C)(O)CNC(=O)C2(c3cccs3)CCCC2)cc1 75155566 YBUJAQGOSDPWHR-HXUWFJFHSA-N 373.518 3.678 0 40 FHAB CSc1ccc([C@H](O)CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 96103312 YBDULPPTGKTGOZ-XAPRQVHKSA-N 360.523 3.710 0 40 FHAB CCN(CC)C(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1Cl 5007857 LOJFBQHNLKEIIT-NBVRZTHBSA-N 356.853 3.979 0 40 FHAB COc1ccc(-c2cc(CNC(=O)c3cccc(Cl)c3)no2)cc1OC 12638610 DYXXWQSZCRIVCH-UHFFFAOYSA-N 372.808 3.942 0 40 FHAB O=C(NC1CCN(CC2(c3ccccc3)CCCCC2)CC1)[C@H]1CCCO1 19369758 FYNHOTYPUKCJSI-OAQYLSRUSA-N 370.537 3.648 0 40 FHAB CC(C)OCCCNc1ncc(-c2ccc(F)cc2)c(-c2nccn2C)n1 19450421 KPSLQVJXGPFJEY-UHFFFAOYSA-N 369.444 3.910 0 40 FHAB CN1C(=O)S/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)C1=O 6440536 AGUSGXSXUNUCQD-IZZDOVSWSA-N 365.773 3.728 0 40 FHAB COc1ccc(OCC(=O)Nc2cc(Cl)c3nc(N)sc3c2)cc1 226312140 XBOGFDMRCCUSRR-UHFFFAOYSA-N 363.826 3.558 0 40 FHAB O=C(Cc1cccc(F)c1)N1CCCCC[C@H]2NC[C@@H](c3ccccc3)[C@@H]21 19373777 AATDTGGOKFCJBR-XJUOHMSHSA-N 366.480 3.895 0 40 FHAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3sc(C)nc3C)c2C)no1 6367370 JXDHZBZUMSRQMA-UHFFFAOYSA-N 373.434 3.504 0 40 FHAB Brc1ccccc1CN1CC[C@H]2CN(c3ccccn3)C[C@@H]21 1889125174 CHESJSDMWUDWQB-RDJZCZTQSA-N 358.283 3.555 0 40 FHAB CC(C)c1ccc(O)c(C(=O)N[C@@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)c1 2037873287 UDVYFJFVGOSYFM-HMXCVIKNSA-N 369.461 3.606 0 40 FHAB Cc1nccc(CN2CCC[C@@]23CN(c2ccc(F)cc2)C(C)(C)C3)n1 2037988751 HCTXCYAHPZTOCM-OAQYLSRUSA-N 354.473 3.948 0 40 FHAB CC(C)c1ccc(NC(=O)N[C@@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 5193840 ABQONXXCPRHDDH-QGZVFWFLSA-N 355.413 3.876 0 40 FHAB Cc1ccc(C)c(NC(=O)c2ccc(=O)n(Cc3cccc(F)c3)c2)c1 7573842 HYGHZTRFRBJNFV-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB COc1ccc(Nc2nc(Nc3ccc(OC)cc3)c3nccnc3n2)cc1 9074456 YDDOBXQSYXOSSR-UHFFFAOYSA-N 374.404 3.924 0 40 FHAB O=C(CSc1nc2ccccc2o1)OCc1cc(-c2ccco2)on1 19038601 LCBKOMZDKMQESK-UHFFFAOYSA-N 356.359 3.911 0 40 FHAB Cc1ccc(C(=O)NC[C@@H](c2cccc3ccccc23)N2CCOCC2)cc1 23106496 TZVBKXFPQSRRET-QHCPKHFHSA-N 374.484 3.952 0 40 FHAB CC(C)(C)[C@H]1CNC(=O)[C@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1 585149878 WSLUZDGGQQSUTH-OALUTQOASA-N 366.461 3.612 0 40 FHAB Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccccc3)co2)n1 4377165 HFAGPEPGSQYARK-UHFFFAOYSA-N 368.414 3.558 0 40 FHAB CCOc1ccc([C@@H]2CC(c3ccc4c(c3)OCO4)=NN2C(C)=O)cc1 96137000 RTNHOAWDPIWJJX-SFHVURJKSA-N 352.390 3.512 0 40 FHAB C[C@@H]1CCCN(Cc2ccccc2CNC(=O)COc2ccccc2)C1 40107105 CEDLHKDTRCLSMS-GOSISDBHSA-N 352.478 3.614 0 40 FHAB Cc1ccc(C(=O)O[C@H](C(=O)Nc2ccc3c(c2)CCC3)C(C)C)cn1 30788956 DWWFDFAQOCJRHS-IBGZPJMESA-N 352.434 3.699 0 40 FHAB Cc1ccc(-c2nc(CSc3nc(C)c(CC(N)=O)s3)cs2)o1 32330651 DHZNBWWRFDZIIW-UHFFFAOYSA-N 365.505 3.797 0 40 FHAB CC(C)C(=O)N1CCC(C(=O)NCC2(c3ccccc3)CCCCC2)CC1 32824826 ZDANWOZBCDRBAL-UHFFFAOYSA-N 370.537 3.899 0 40 FHAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)Cc3cccc(F)c3)n2)C1 22292959 HNYRXLGOGIJRKX-OKILXGFUSA-N 361.486 3.941 0 40 FHAB COc1ccccc1N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 997017 UVBJDNSTWNLQBV-UHFFFAOYSA-N 365.260 3.964 0 40 FHAB Cc1noc(C)c1Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 1290771 KRYVQMARYKULIL-UHFFFAOYSA-N 355.394 3.917 0 40 FHAB CCOc1ccc([C@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)OC3)cc1 1431763 QKRADUFFWRJSQG-QGZVFWFLSA-N 367.376 3.556 0 40 FHAB Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Br)cc2)CC1=O 1445075 GWSHGIPVBLXMCJ-ZDUSSCGKSA-N 373.250 3.749 0 40 FHAB Cc1ccc(C)c(NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 1741850 MDEGCOPIIZWWGM-UHFFFAOYSA-N 350.422 3.745 0 40 FHAB CCCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(OC)cc2OC)c1 1914407 UFQVEZLXKBHRIT-PKNBQFBNSA-N 369.417 3.923 0 40 FHAB Cc1cccc(-c2nc3s/c(=C\c4cccc5ccccc45)c(=O)n3n2)c1 2380120 BJDXYQUPGFYFCI-UYRXBGFRSA-N 369.449 3.827 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1 3174545 POGPFUBSLIIKSP-UHFFFAOYSA-N 366.870 3.623 0 40 FHAB COc1ccc(NC(=O)CNc2ccc(C(F)(F)F)cc2)cc1OC 3342076 QIMKBADZGNLXOU-UHFFFAOYSA-N 354.328 3.773 0 40 FHAB COC(=O)c1ccc(C(=O)Nc2nc3c(OC)ccc(C)c3s2)cc1 4292226 JHDUBNBHLPJQBX-UHFFFAOYSA-N 356.403 3.652 0 40 FHAB CC(=O)N1[C@@H](C(=O)NCc2ccc(C)cc2)CS[C@H]1c1ccc(C)cc1 4699337 UBTWNHHBEBKBTA-CTNGQTDRSA-N 368.502 3.582 0 40 FHAB Cc1ccc2c(c1)C(=O)C(=O)N2CC(=O)Nc1ccccc1-c1ccccc1 4968073 CSOQGBAGRSSKGC-UHFFFAOYSA-N 370.408 3.830 0 40 FHAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC2CCCCC2)cc1 5009977 WUPNRWYQQCKPJN-RGEXLXHISA-N 352.434 3.808 0 40 FHAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1ccccc1F 5152739 QUCQRXXCAAHECK-LJQANCHMSA-N 350.393 3.953 0 40 FHAB Cc1cccc(OCCN2C(=O)C(=O)c3cc(Br)cc(C)c32)c1 5234825 PNUCCMKCZUVRIR-UHFFFAOYSA-N 374.234 3.674 0 40 FHAB O=c1oc2c3c(c(Cl)cc2c2c1CCC2)OCN(c1cccnc1)C3 5345452 WPFLPIXXBNDMOD-UHFFFAOYSA-N 354.793 3.687 0 40 FHAB O=C(Nc1ccc(Br)cc1)c1ccc(N2CCCC2=O)cc1 5558253 HXCNIHGFSAEFGN-UHFFFAOYSA-N 359.223 3.828 0 40 FHAB Cc1ccc(Cl)c(OCC(=O)N2CCN(c3ccccc3F)CC2)c1 5689629 CBIITTFHYKVUJV-UHFFFAOYSA-N 362.832 3.515 0 40 FHAB Cc1csc(NC(=O)c2cccc(C(=O)Nc3nc(C)cs3)c2)n1 5815949 VCSQCLBFYULPHM-UHFFFAOYSA-N 358.448 3.721 0 40 FHAB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)cc1 5859408 HRCFLTHFRBSTGG-UHFFFAOYSA-N 369.417 3.566 0 40 FHAB COc1ccc(/C=C2/SC(=O)N(CNc3ccc(OC)cc3)C2=O)cc1 6136556 PDWDDSXNGCFYTF-GZTJUZNOSA-N 370.430 3.810 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3)o2)cc1 6212742 QWISQIWTPCVDPI-UHFFFAOYSA-N 355.419 3.688 0 40 FHAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc(Cl)c2)NC(=O)N1 6348443 FZZLIXXIIZESNE-MRXNPFEDSA-N 359.788 3.746 0 40 FHAB COC(=O)c1cc(COC(=O)/C=C/c2ccc(OC(F)F)cc2)oc1C 6550348 CJVSDXZMLWIVKD-VMPITWQZSA-N 366.316 3.733 0 40 FHAB Cc1cc(C2=NN=C(NC3CC3)SC2)c(C)n1CCc1ccccc1 6602388 XUWVMBUQGOZMSU-UHFFFAOYSA-N 352.507 3.907 0 40 FHAB CC(C)[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1nc2ccccc2[nH]1 6604654 XKDXVXXSWLFBPW-FZKQIMNGSA-N 355.413 3.983 0 40 FHAB COc1ccc(Cc2nnc3sc(-c4cccc(N(C)C)c4)nn23)cc1 6673447 RWPSBBWLTVXXBP-UHFFFAOYSA-N 365.462 3.518 0 40 FHAB Cc1cnc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)s1 6815351 DHRSQUQRIIFNEJ-UHFFFAOYSA-N 367.430 3.991 0 40 FHAB O=C(CSc1ccc(-c2cccs2)nn1)N1CCc2ccccc21 6858810 BEXGTSDLWDDNLT-UHFFFAOYSA-N 353.472 3.887 0 40 FHAB O=C(NCCc1ccccc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 7609071 USOJWXGIMJIVGN-UHFFFAOYSA-N 370.880 3.551 0 40 FHAB COc1cc(SC)ccc1C(=O)NCCCn1cnc2ccccc21 8174063 BXPARYAYVKQKOQ-UHFFFAOYSA-N 355.463 3.587 0 40 FHAB CCOc1cc2c(cc1OCC)CN(C(=O)c1cc(F)cc(F)c1)CC2 8388569 DFAKUGFMVUIGEJ-UHFFFAOYSA-N 361.388 3.961 0 40 FHAB Cc1nc(COc2ccc([C@@H]3NC(=O)c4ccccc4N3)cc2)cs1 8721499 QAGJKTMBZOFRON-SFHVURJKSA-N 351.431 3.885 0 40 FHAB COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2ncccc2Cl)c1 8726501 NGFWVYAIYFMNGE-SNVBAGLBSA-N 352.843 3.872 0 40 FHAB CC[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 8761855 DBHKHMVYRKEUCS-INIZCTEOSA-N 351.855 3.625 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)/C=C/c1ccc(F)cc1)c1cccc(F)c1 9335944 QFNYEYOYFXXCMQ-VQFGERMISA-N 353.372 3.617 0 40 FHAB COc1ccc(-n2cnnc2SCCOc2ccccc2C(C)=O)cc1 9379443 IQDKYFNZIREPLL-UHFFFAOYSA-N 369.446 3.650 0 40 FHAB CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C 10314816 GSOAKHAPZZPQPY-UHFFFAOYSA-N 360.479 3.586 0 40 FHAB O=S(=O)(N[C@H](c1ccccc1)C1CC1)c1ccc(Br)s1 10677668 OYFSHIVHGGPHHD-CQSZACIVSA-N 372.309 3.940 0 40 FHAB CCCOc1ccc(C(F)(F)F)cc1NCC(=O)Nc1cc(C)on1 11623710 QYEAPCLGAIXCMT-UHFFFAOYSA-N 357.332 3.841 0 40 FHAB COc1ccc(CC(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)cc1 11913743 SZCFAIPQUHLDTA-UHFFFAOYSA-N 367.405 3.714 0 40 FHAB COC(=O)[C@H](C)Sc1nnc(Cc2ccccc2)n1-c1ccccc1 12105306 FAAXHBKQKSXRNM-AWEZNQCLSA-N 353.447 3.512 0 40 FHAB O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CCc2sccc2C1 12216316 REMRTHUVOCHAHW-UHFFFAOYSA-N 374.469 3.740 0 40 FHAB COc1ccc2cc3c(nc2c1)OC(=O)N(CCc1cccc(F)c1)C3 12222675 UXLUAQOJLLTMDX-UHFFFAOYSA-N 352.365 3.940 0 40 FHAB CCc1cccc(N[C@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 12633702 XDIOWZFHFQTLKF-YMXMSLLWSA-N 369.509 3.844 0 40 FHAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1cccc(Cl)c1 12786653 BCHYVZFMNUVLRU-UHFFFAOYSA-N 355.825 3.695 0 40 FHAB COc1ccc(CCC(=O)NC[C@@H](c2ccsc2)N2CCCC2)cc1 13011481 SOTGZLQOEZQKTM-IBGZPJMESA-N 358.507 3.643 0 40 FHAB O=C1C[C@H](Nc2ccc3cc[nH]c3c2)C(=O)N1c1cccc(C(F)(F)F)c1 13577264 IITKHHIXKFSYRR-INIZCTEOSA-N 373.334 3.931 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)/C=C/c3ccc([C@H]4C[C@@H]4C)o3)ccc21 14168995 HRMWNIXCONTECG-GJUQAPNCSA-N 350.418 3.964 0 40 FHAB Cc1cnc(C(=O)Oc2ccc(NC(=O)c3ccccc3Cl)cc2)cn1 14630383 UTYBDPPSPFTARD-UHFFFAOYSA-N 367.792 3.910 0 40 FHAB O=C(c1ccccc1)N1CCC(NC(=S)Nc2ccccc2Cl)CC1 16705098 PJAWXKHBBDGRBM-UHFFFAOYSA-N 373.909 3.931 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 18109369 GBNDMJMRHUKKJA-OLZOCXBDSA-N 361.825 3.756 0 40 FHAB CCOc1ccccc1NC(=O)[C@H](C)Sc1nnc(NC2CC2)s1 18467246 RKUZGTOWQKIYGF-JTQLQIEISA-N 364.496 3.630 0 40 FHAB COc1ccc(OC)c([C@@H](O)CN2CCc3[nH]c4c(C)cccc4c3C2)c1 19236582 WOFMNKFZKWVRHG-FQEVSTJZSA-N 366.461 3.585 0 40 FHAB CCS(=O)(=O)c1ccccc1C(=O)N[C@@H](C)c1ccccc1Cl 20011445 JLMBVCCIDDLGCT-LBPRGKRZSA-N 351.855 3.625 0 40 FHAB CC[C@H](C(=O)Nc1ccccc1OC)n1nc(-c2ccccc2)ccc1=O 20095375 UUOCWTIOCBLGHK-GOSISDBHSA-N 363.417 3.509 0 40 FHAB COC(=O)[C@H](C)Sc1nnc(-c2ccoc2C)n1Cc1ccccc1 21119468 XTFFFLBGWOCLRM-ZDUSSCGKSA-N 357.435 3.548 0 40 FHAB C[C@@H]1Oc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2NC1=O 21641038 SGHWYMFHWBUADW-QMMMGPOBSA-N 351.189 3.965 0 40 FHAB Cc1ccc(C)c(OC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c1C 22961282 AXNIWGMMEDNZNN-GOSISDBHSA-N 353.418 3.949 0 40 FHAB C[C@H](NS(=O)(=O)c1cccc(F)c1)c1ccc(Br)cc1 25655516 UZCHPNQFTAPSAF-JTQLQIEISA-N 358.232 3.628 0 40 FHAB CC(C)C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2 27663656 XTCKRXFFJPMIEL-UHFFFAOYSA-N 357.479 3.546 0 40 FHAB O=C(COc1ccc2ccccc2c1)NC[C@@H]1CCN(c2ccccc2)C1 27844597 DHVIBTBELXRANR-SFHVURJKSA-N 360.457 3.861 0 40 FHAB COC(=O)C[C@H](NC(=O)NCCc1ccc(Cl)cc1)c1cccs1 29317170 QHKPLEBQNFBSCT-AWEZNQCLSA-N 366.870 3.548 0 40 FHAB CCOc1ncccc1CNC(=O)c1ccc(C2SCCS2)cc1 30308797 NMSBXDHMENSMEF-UHFFFAOYSA-N 360.504 3.889 0 40 FHAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCCN1CCCCC1 30758139 BHZADZIUMJHRNX-HXUWFJFHSA-N 354.494 3.989 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 32755480 XLKIHXGQUKURLH-FUHWJXTLSA-N 370.518 3.738 0 40 FHAB COCCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nc(C)c1C 32893867 QLSOOSFXOJYRNL-UHFFFAOYSA-N 367.902 3.839 0 40 FHAB COc1cc2c(cc1O)CCN(CC(=O)c1c(C)[nH]c3ccccc13)[C@@H]2C 35361939 UIDIDRUAVRZRAM-CQSZACIVSA-N 364.445 3.993 0 40 FHAB biogenic COc1ccc(OC[C@H](O)CN(Cc2ccco2)Cc2cccs2)cc1 35672084 WCWGKARDJZPVIR-MRXNPFEDSA-N 373.474 3.792 0 40 FHAB C[C@H]1CCN(C(=O)c2ccccc2S(C)(=O)=O)c2ccccc2S1 36619834 XFPYRUQWCVOSEI-ZDUSSCGKSA-N 361.488 3.621 0 40 FHAB CSc1nc(C)c(CCC(=O)NCCOc2c(C)cccc2C)c(C)n1 40113814 GEGXHVMEFTXEOY-UHFFFAOYSA-N 373.522 3.560 0 40 FHAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2occc2COc2ccccc2)n1 40121508 DYXLUHPPYIDONQ-OAHLLOKOSA-N 367.449 3.738 0 40 FHAB COc1ccc([C@@H](CC(=O)N2CCCCc3ccccc32)NC(C)=O)cc1 40133961 QONLOFVEYKUEEV-HXUWFJFHSA-N 366.461 3.632 0 40 FHAB C[C@@H](Sc1nnc(C2CCCCC2)o1)c1nnnn1-c1ccccc1 41575110 QGHPLCHWCVFEJX-GFCCVEGCSA-N 356.455 3.946 0 40 FHAB O=C(Nc1cccc(Oc2ncccn2)c1)N1CCc2sccc2C1 44244950 TUTJHJHVFMVUAH-UHFFFAOYSA-N 352.419 3.921 0 40 FHAB CCN1CCc2nc(NC(=O)/C=C/c3ccc([C@H]4C[C@@H]4C)o3)sc2C1 48353857 ZOZKASDYEMQXJD-COWJPUMTSA-N 357.479 3.889 0 40 FHAB COc1ccc([C@H](C)NC(=O)COC(=O)c2ccc(F)cc2Cl)cc1 51357218 QHUJDUWUONIESJ-NSHDSACASA-N 365.788 3.522 0 40 FHAB Cc1noc(C)c1CC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 55771316 IALYLSJVGOWTBF-UHFFFAOYSA-N 367.380 3.864 0 40 FHAB C[C@H]1CCCCN1CCCNC(=O)N[C@@H]1CCOc2c(Cl)cccc21 56804816 UQJKYJKUHCATAX-WMLDXEAASA-N 365.905 3.727 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3C)n[nH]2)c(OC)c1 57413046 DZNNPGDKPTWYSB-UHFFFAOYSA-N 355.369 3.794 0 40 FHAB CCOC(=O)C[C@H](NC(=O)CSc1ccc(F)cc1)c1ccccc1 58017033 SCHVSYGAXTYLFU-KRWDZBQOSA-N 361.438 3.729 0 40 FHAB Cc1ccccc1[C@@H]1CCCN1C(=O)C[C@H](NC(N)=O)c1cccs1 58264388 QJJVSOGOIBTZMS-HOTGVXAUSA-N 357.479 3.520 0 40 FHAB Fc1cc2c(c(CSc3nnc(Cc4ccccc4)o3)c1)OCOC2 58371213 KCYLYBPHAHMZOD-UHFFFAOYSA-N 358.394 3.958 0 40 FHAB CCc1nc(CN(C)C(=O)COc2ccc(Br)cc2)cs1 60064236 GKWDOQVAPJQMDK-UHFFFAOYSA-N 369.284 3.505 0 40 FHAB Cc1c(NC(=O)N(C)[C@@H](C)c2ccccc2)c(=O)n(-c2ccccc2)n1C 62582104 MUSNDFLMKWNEOK-HNNXBMFYSA-N 364.449 3.709 0 40 FHAB O=C(Nc1nnc(-c2ccccn2)[nH]1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 68757955 VJIXLWOWJDEFNS-MNOVXSKESA-N 374.231 3.916 0 40 FHAB O=C(NC[C@H](O)c1cccc2ccccc12)c1ccc(Br)o1 70636030 RIDPQJMZXJPAGX-AWEZNQCLSA-N 360.207 3.659 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc2c(ccn2C)c1)CC3 72324434 LGHDCBSJIRIYCW-UHFFFAOYSA-N 359.429 3.867 0 40 FHAB biogenic Cc1nccn1-c1cccc([C@@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 72378886 CIDFUUMTWNCBKJ-LJQANCHMSA-N 360.461 3.524 0 40 FHAB CC(=O)N[C@H](CC(=O)Nc1cc(C)cc2cccnc12)c1ccc(F)cc1 72399274 RSPXDOZVNKWOAS-GOSISDBHSA-N 365.408 3.888 0 40 FHAB O=C1CCCC[C@H]1[C@@H]1CCCN1C(=O)c1cccc(Br)c1 75092875 AVFPXOKDDAHEEW-GJZGRUSLSA-N 350.256 3.813 0 40 FHAB O=C(c1ccc(Oc2cccnc2)cc1)N1CC[C@@H](CN2CCCCC2)C1 76041949 NAMXGOAMHCLEHU-SFHVURJKSA-N 365.477 3.822 0 40 FHAB COc1cccc(OCCn2c(CN3CCCC3)nc3ccccc32)c1 76555519 PKVXLQNJPQDDSR-UHFFFAOYSA-N 351.450 3.720 0 40 FHAB O=C(Cn1c(SC(F)F)nc2ccccc21)Nc1ccc2[nH]ncc2c1 89873322 WAXVWGKMDQDWOA-UHFFFAOYSA-N 373.388 3.866 0 40 FHAB CC(C)c1cc(C(=O)N2CCc3ccccc3C2)nc(N2CCCCC2)n1 96101215 IBMLOIVTVCUWGW-UHFFFAOYSA-N 364.493 3.789 0 40 FHAB CCOC[C@@H]1CCC2(CCN(C(=O)c3ccccc3)CC2)N1CC1CC1 96207497 JDYNFKAPEIPBCC-FQEVSTJZSA-N 356.510 3.572 0 40 FHAB CCc1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)cc1 96590605 QFCBWKCKSOTMAK-AWEZNQCLSA-N 372.852 3.903 0 40 FHAB CCOC(=O)c1nc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)oc1C 97101483 QCUXMHBCDVSMTO-CYBMUJFWSA-N 374.437 3.863 0 40 FHAB Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2cccc(O)c2)c1 98073415 BOUVTCIKJNDDAP-UHFFFAOYSA-N 353.447 3.926 0 40 FHAB CC(C)(C)C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2C(=O)Nc1ccc(F)cc1 100426576 FQSYCUVEBMMXKF-IRXDYDNUSA-N 361.461 3.905 0 40 FHAB COc1cccc2c1O[C@]1(C)C[C@@H]2NC(=S)N1CCc1ccccc1 101183343 ZAIAQKNMRAEKCW-OXJNMPFZSA-N 354.475 3.668 0 40 FHAB CC(=O)Nc1cccc(C(=O)/N=c2/sccn2Cc2ccc(C)cc2)c1 103047564 UXSVJPHQUUWXIC-LSDHQDQOSA-N 365.458 3.606 0 40 FHAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1O 106701783 ATJZCQKUMJAXIS-YVLHZVERSA-N 355.415 3.946 0 40 FHAB CC[C@H](Oc1cccc(C)c1C)C(=O)N1CCN(Cc2ccccc2)CC1 216346236 JOFNYKXKXRKBTK-NRFANRHFSA-N 366.505 3.805 0 40 FHAB COc1ccc(OCC(=O)NCCOc2ccccc2C(C)(C)C)cc1 223663700 SZRFCHIZTFRVIS-UHFFFAOYSA-N 357.450 3.567 0 40 FHAB Cc1cccc(OCC(=O)NCC2(c3ccccc3)CCOCC2)c1C 224158044 KTIPOHKSMWQYCB-UHFFFAOYSA-N 353.462 3.547 0 40 FHAB CC1CCN(Cc2ccc(C(=O)NCCOc3ccc(F)cc3)cc2)CC1 224332276 VLNGGDFEECTLIN-UHFFFAOYSA-N 370.468 3.866 0 40 FHAB CCCCOCc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1OC 224439046 DMCLNZBZSKMYHK-UHFFFAOYSA-N 357.406 3.993 0 40 FHAB O=C(NCC[C@H](O)c1cccc(Cl)c1)c1ccc(Br)o1 225609272 VEPRZABCCBMLBZ-NSHDSACASA-N 358.619 3.549 0 40 FHAB O=C(NCc1cccnc1-c1ccsc1)c1cc(-c2ccco2)n[nH]1 225647171 XVCKNHFXJUOBKX-UHFFFAOYSA-N 350.403 3.723 0 40 FHAB Cc1nc(CO[C@@H]2CN(Cc3sccc3C)Cc3ccnn3C2)cs1 248064970 WQXITVHCRYNPOT-QGZVFWFLSA-N 374.535 3.619 0 40 FHAB C[C@]1(Cc2ccccc2F)Cc2cc(C(=O)NC3CCOCC3)ccc2O1 257326420 WXDLNAYRNJOLGR-QFIPXVFZSA-N 369.436 3.671 0 40 FHAB Cc1ccccc1CC(=O)N1C[C@H]2Cn3c(-c4ccsc4)cnc3[C@H]2C1 306123316 AJVIEEAJDCGOSW-ROUUACIJSA-N 363.486 3.718 0 40 FHAB COc1ccccc1N(Cc1ccc(Cl)cc1Cl)S(C)(=O)=O 408627427 MGTIAZVDQNNHMQ-UHFFFAOYSA-N 360.262 3.968 0 40 FHAB COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc(Cl)c1O 409035467 JCIKGTRSZZBOTC-ZROIWOOFSA-N 374.849 3.659 0 40 FHAB O[C@@H]1CCOc2c(NCc3ncc(Cl)cc3Br)cccc21 527693129 QJSUTZIINHJDGX-CQSZACIVSA-N 369.646 3.926 0 40 FHAB C[C@H](Cc1csc2ccccc12)NS(=O)(=O)CCC(F)(F)F 575619962 HEQPWEWTTOBMFG-SNVBAGLBSA-N 351.415 3.704 0 40 FHAB COc1ccc([C@@H](CN(C)C)NCc2cccc3c2OC(C)(C)C3)cc1 585081277 ORHGAGZUSKHSNT-HXUWFJFHSA-N 354.494 3.801 0 40 FHAB COc1ccc(-c2nc(C(=O)Nc3cnccc3C)cs2)cc1OC 591239864 IZQWTPUEGNJIBC-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB O=C(Cc1ccccc1Cl)N1CC[C@@H](Oc2cnc3ccccc3n2)C1 618254867 FXDVNQNEHCEAOH-OAHLLOKOSA-N 367.836 3.506 0 40 FHAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc(F)c1 812077 AZWOXECSVCQEAF-UHFFFAOYSA-N 354.337 3.932 0 40 FHAB CCCCN(C(=O)c1cc2c(=O)n3ccccc3nc2n1C)c1ccccc1 2917089 VSLCQLIMPPGOAQ-UHFFFAOYSA-N 374.444 3.633 0 40 FHAB Cc1cc(Nc2ccc(N3CCOC[C@H]3C)cc2)nc(-c2ccncc2)n1 78019945 UAKYVWWEDIZEBN-MRXNPFEDSA-N 361.449 3.816 0 40 FHAB COc1ccccc1NC(=O)c1ccc(I)cc1 1087153 GPIAXYSOLDVNFJ-UHFFFAOYSA-N 353.159 3.552 0 40 FHAB O=C(O)C(Cc1ccc2c(c1)CCC2)(Cc1ccc2c(c1)CCC2)C(=O)O 1645328 CTDGBRNHJQUFAI-UHFFFAOYSA-N 364.441 3.605 0 40 FHAB COc1cccc(C(=O)NCCSc2ccc(Br)cc2)c1 3133706 VYGWQOUAXOADJP-UHFFFAOYSA-N 366.280 3.980 0 40 FHAB O=C(Cn1cnc2cc(F)c(F)cc21)Nc1ccccc1OC(F)F 24425349 YRSUJDXJFVPIRH-UHFFFAOYSA-N 353.275 3.555 0 40 FHAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CCC(=O)O 4804278 QIZQZYDEIVNNAA-ANWZHMNCSA-N 362.510 3.906 0 40 FHAB CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1ccoc1C 4860794 FPUMSHXHTRZCLG-IUODEOHRSA-N 362.499 3.653 0 40 FHAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1C 6416196 XEXSIENUMSZHOU-UHFFFAOYSA-N 372.490 3.730 0 40 FHAB Cc1ccccc1C(=O)NC(=S)Nc1cccc(-c2ccc(CO)o2)c1 20418394 AQNDKZFWKMOLDH-UHFFFAOYSA-N 366.442 3.874 0 40 FHAB COc1cc(C(=O)NCCCn2ccc3ccccc32)cc(OC)c1C 12536747 OKTMPCMIFKGESJ-UHFFFAOYSA-N 352.434 3.787 0 40 FHAB CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)o1 9062127 AAKAGGKPDVUNKF-UHFFFAOYSA-N 364.405 3.974 0 40 FHAB CCOc1cccc(N2CCN([C@@H](C)c3ncc(C(C)(C)C)o3)CC2)n1 175214107 QZMMXHRMIXBPTO-HNNXBMFYSA-N 358.486 3.649 0 40 FHAB CN(Cc1nc2c(s1)CCCC2)C(=O)C[C@@H]1OCCc2ccccc21 83012896 RMUFJHZKPHBZDK-KRWDZBQOSA-N 356.491 3.684 0 40 FHAB O=C(NC1CCCC1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 20241723 LAWGWVIQGZMMCO-UHFFFAOYSA-N 363.505 3.681 0 40 FHAB CC[C@H](NC(=O)N1CCC(C(F)(F)F)CC1)c1ccc2c(c1)OCCO2 174206014 WBXGNBIJSNUMEC-AWEZNQCLSA-N 372.387 3.893 0 40 FHAB CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)c3cccs3)c12 2262898 WVDGOKGKRSRHKQ-UHFFFAOYSA-N 372.446 3.986 0 40 FHAB Cc1ccc(C[C@@H](CCN2C(=O)CCC2=O)[C@H]2CCOC(C)(C)C2)cc1 2295938 YZZPUNIKSFOYEO-MOPGFXCFSA-N 357.494 3.898 0 40 FHAB Cc1cccn2c(=O)cc(CN3CCc4sccc4[C@H]3C3CC3)nc12 12787784 GVCRPLUZBYXJSI-LJQANCHMSA-N 351.475 3.574 0 40 FHAB C[C@H](OC(=O)c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(Cl)cn1 3382158 QKKDWRGKDUZYIJ-VIFPVBQESA-N 370.739 3.520 0 40 FHAB CC[C@@H](Sc1nncn1[C@H](C)c1ccccc1)C(=O)Nc1cc(C)on1 48355501 KMSWDFBJRSNABH-UKRRQHHQSA-N 371.466 3.693 0 40 FHAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)C[C@@H]2Sc3ccccc3NC2=O)o1 108985630 XGWNNLZDOQYTCX-YEWDVWPNSA-N 370.474 3.865 0 40 FHAB Cc1ncsc1C(=O)NCc1ccc(CN2C[C@H](C)C[C@@H](C)C2)cc1 48310264 LBVNQKNSTYXOGM-HUUCEWRRSA-N 357.523 3.859 0 40 FHAB Cc1ccc(S(=O)(=O)[C@H](CN2CCCCC2)C(=O)c2ccccc2)cc1 55107247 RBFYUNLUTIBTEA-HXUWFJFHSA-N 371.502 3.506 0 40 FHAB CCc1ccc(N2C(=O)[C@H]3N=NN(c4ccc(F)c(Cl)c4)[C@@H]3C2=O)cc1 101261212 SVLZSRCPZWECJR-HOTGVXAUSA-N 372.787 3.539 0 40 FHAB CC1(C)C[C@@H]2C[C@@](C)(CN2Cc2c(O)occ(CN3CCCCC3)c2=O)C1 100797371 BGMYQYRUPAWSIA-VGOFRKELSA-N 374.525 3.732 0 40 FHAB COCc1ccc(C(=O)N[C@H](CC(=O)OC)c2ccccc2Cl)cc1 12858129 FEZAGXCTTKVHCD-QGZVFWFLSA-N 361.825 3.521 0 40 FHAB Cc1ccc(CNC(=O)c2ccc(Cl)cc2N2CCCC2=O)cc1F 12888218 XEUAAAOMMHRXBC-UHFFFAOYSA-N 360.816 3.844 0 40 FHAB CC[C@H](SCCOc1ccc(OC)cc1)C(=O)Nc1cc(C)on1 12814981 ULDJOXWIMXMVBZ-HNNXBMFYSA-N 350.440 3.521 0 40 FHAB COC(=O)c1ccc(C)c(OCC(=O)N2c3ccccc3CC[C@@H]2C)c1 12983017 MICHYGRPSMLCGP-HNNXBMFYSA-N 353.418 3.528 0 40 FHAB Cc1noc2ncc(C(=O)N3CCCCC[C@H]3c3noc(C(C)C)n3)cc12 96001240 OOTVIVJLGGMQTM-HNNXBMFYSA-N 369.425 3.795 0 40 FHAB CCCCCOC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1 4188347 UXYUROSYYKWISY-MHGIMSBQSA-N 355.434 3.569 0 40 FHAB CC(C)c1nc([C@H]2CCCCCN2C(=O)Cc2cn3ccccc3n2)no1 96001242 ZLLKIIBLBYIWIK-MRXNPFEDSA-N 367.453 3.527 0 40 FHAB COc1ccc(NC(=O)CNc2ccc(Br)cc2)c(OC)c1 5172875 YUJQDELVJCSJGA-UHFFFAOYSA-N 365.227 3.517 0 40 FHAB Cc1ccc(NC(=O)COCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1Cl 13879862 VESUGRZOBNUSRC-DXCKQFNASA-N 366.889 3.544 0 40 FHAB COc1ccc(NC(=O)CCCCCn2cnc3ccccc3c2=O)cc1 5305332 CXGRUSWCISIKIO-UHFFFAOYSA-N 365.433 3.604 0 40 FHAB Cc1cc(C(=O)N[C@H]2CCSc3ccc(F)cc32)c2c(C)nn(C)c2n1 14167198 HIUQVGCKCRXUDB-HNNXBMFYSA-N 370.453 3.691 0 40 FHAB CC(=O)Nc1ccc(C)cc1NC(=O)CC[C@@H]1COc2ccccc2O1 5450970 ATKCGMRQXPTYMC-OAHLLOKOSA-N 354.406 3.512 0 40 FHAB C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 15197110 TXKFKIFMBDEFJT-YFTXEMMHSA-N 363.866 3.634 0 40 FHAB Cc1cccc(NC(=O)[C@H](C)Sc2nnc(-c3ccoc3C)n2C)c1 7236542 JULQRMPSORHYNN-ZDUSSCGKSA-N 356.451 3.811 0 40 FHAB C[C@@H]1CCC2=NN(C(=O)CCc3ccccc3)[C@](O)(C(F)(F)F)[C@@H]2C1 409051547 AQHBXMDWQXNEII-SUYBPPKGSA-N 354.372 3.505 0 40 FHAB Cc1ccc(CSc2nnc(NC(=O)c3c(C)noc3C)s2)cc1 7699093 KDCYRMOZKUKXID-UHFFFAOYSA-N 360.464 3.996 0 40 FHAB O=C(N[C@H](c1ccccc1)c1cccs1)[C@@H]1COc2ccccc2O1 7739238 WLOVKKBFWDXTEW-PKOBYXMFSA-N 351.427 3.794 0 40 FHAB O=C(NCc1cccc(OC(F)F)c1)N[C@H]1CCOc2ccc(F)cc21 69089530 DTTZAFLSLRWJOT-HNNXBMFYSA-N 366.339 3.750 0 40 FHAB O=C1c2cccn2[C@@H]2CN(CCc3ccccc3)C[C@@H]2N1Cc1ccccc1 306137651 RCKKTKNZQWLFJP-PKTZIBPZSA-N 371.484 3.612 0 40 FHAB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccnc3)c2C)C1=O 409252592 STWSNPAHGLPMNS-GZTJUZNOSA-N 371.462 3.562 0 40 FHAB CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nc3ccccc3n2C)cc1 8778789 QCKYTDZSDBWVSH-LBPRGKRZSA-N 353.447 3.895 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)NCc1ccc(N2CCCC2=O)cc1 9738842 ZVWHXRSVXXSEEK-UHFFFAOYSA-N 361.445 3.544 0 40 FHAB CC1(C)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O1 88613699 QEVUGTQUQFVVTP-SFHVURJKSA-N 351.402 3.619 0 40 FHAB in-vitro Cc1ccsc1C(=O)OCC(=O)NCc1ccccc1C(F)(F)F 72333921 QYNKFKSUIGMBRW-UHFFFAOYSA-N 357.353 3.549 0 40 FHAB COc1ccc(-c2noc(CN3c4ccccc4C[C@H]3C)n2)c(OC)c1 72710242 RPAMGHLCPQXYPK-CYBMUJFWSA-N 351.406 3.705 0 40 FHAB C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1nnc(-c2ccccc2)n1C 89920339 KEYLEUDRBQUABH-CRAIPNDOSA-N 350.441 3.999 0 40 FHAB COCCN(Cc1ccncc1)C(=O)Cc1ccc(SC(C)C)cc1 61974805 HLHHVPRTJQSOTF-UHFFFAOYSA-N 358.507 3.800 0 40 FHAB O=C(Nc1nc(C(=O)NCc2ccccc2Cl)co1)c1ccccc1 62022994 HFVYHFZMPSMCOF-UHFFFAOYSA-N 355.781 3.510 0 40 FHAB CC(C)COc1ccc(NC(=O)C(=O)NCc2cccc(Cl)c2)cc1 408708044 GDFBJJSKXRVWCG-UHFFFAOYSA-N 360.841 3.630 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Cl)nc2C)cc1 72217910 YUTODKYAHCERDJ-INIZCTEOSA-N 350.871 3.878 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)NCCCN2CCCc3ccccc32)cc1 218975462 OHAMXDVIOLSZMV-GOSISDBHSA-N 352.478 3.721 0 40 FHAB CN(C)[C@@H]1CN(Cc2cccc(F)c2)C[C@H]1c1cn(C)c2ccccc12 72395133 REVVXMWGHLAAON-RBBKRZOGSA-N 351.469 3.847 0 40 FHAB O=C(CCc1ccccc1)Nc1cccc(S(=O)(=O)C2CCCC2)c1 33051794 RNVKBLOXLTXEAY-UHFFFAOYSA-N 357.475 3.974 0 40 FHAB O=C(NCC[C@@H]1CCOC1)N1Cc2ccccc2C[C@@H]1c1ccccc1 544332205 KGIZJBIVVRYKMY-DYESRHJHSA-N 350.462 3.922 0 40 FHAB COc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccc(F)cc3)n2)c1 72322096 FZCUPBQSYJAFID-FQEVSTJZSA-N 367.424 3.798 0 40 FHAB biogenic,in-vitro Cc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)n2)c1 219520984 CGYITECVCBFBRG-MRXNPFEDSA-N 365.433 3.746 0 40 FHAB COc1cc2cc(C(=O)N[C@@H]3CCc4ccccc43)[nH]c2c(OC)c1OC 48356194 YUUBXTDQKUIKCS-OAHLLOKOSA-N 366.417 3.611 0 40 FHAB CCOC(=O)c1ccc(NC(=O)COc2ccccc2F)cc1Cl 222777055 RAPDIUUEWWVSEI-UHFFFAOYSA-N 351.761 3.673 0 40 FHAB CCOc1ccc(C(=O)N[C@@H](C)COc2ccc(OC)cc2)cc1Cl 225098126 CJJIWXCHZWNTAL-ZDUSSCGKSA-N 363.841 3.945 0 40 FHAB Cc1ccc(CN2CCC3(CC2)C[C@@H](N(C)Cc2cccnc2)CO3)s1 96047985 LXYQRERNWLVSLS-LJQANCHMSA-N 371.550 3.707 0 40 FHAB O=C1CC[C@]2(CCCN(Cc3ccncc3)CC2)N1Cc1cccc(F)c1 96047561 XAWAHFMTHJRZMD-QFIPXVFZSA-N 367.468 3.768 0 40 FHAB COc1ccc(-c2noc(C(=O)O)c2[C@@H](C)NC(=O)c2ccccc2)cc1 96296818 GPCYRRFBENFGKP-GFCCVEGCSA-N 366.373 3.539 0 40 FHAB biogenic,in-vitro Cc1ccc(CN2CCC3(CC2)C[C@@H](N(C)Cc2ccccc2)CO3)o1 96220968 VSQOOQYTVGXACY-HXUWFJFHSA-N 354.494 3.844 0 40 FHAB Cc1ccc(CN2CCC3(CCC(=O)N3Cc3cccnc3)CC2)s1 96049377 ZRCCAXSXDDZJEP-UHFFFAOYSA-N 355.507 3.609 0 40 FHAB Cc1ccccc1C(=O)N1CCC2(CCOC[C@@H]2COCC2CC2)CC1 96106484 YFYGFWKKZJJIJH-LJQANCHMSA-N 357.494 3.681 0 40 FHAB COc1ncccc1C(=O)N1CCC[C@H](Cc2cccc3ncccc23)C1 257271363 MXZNZYDGYUNYNB-MRXNPFEDSA-N 361.445 3.733 0 40 FHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(N2CCCC2)c(C)c1 25970584 KBJJZINTZNSNJZ-UHFFFAOYSA-N 372.490 3.641 0 40 FHAB CNc1cc([C@H]2CCCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)ccn1 257244954 INLOEQPTILNQEZ-AWEZNQCLSA-N 352.413 3.764 0 40 FHAB COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CC(C)(C)C)OCC[C@@]31C2 257218714 DEFAIZIOERGYNC-BRUGHKRESA-N 351.531 3.785 0 40 FHAB COc1ccc(CN(C)Cc2nc(N)c3c(C)c(C)sc3n2)c(OC)c1 684541054 ZIVCWFVIBCGHGF-UHFFFAOYSA-N 372.494 3.540 0 40 FHAB O=C(NCCn1nc(-c2ccccn2)cc1C1CC1)c1ccc(F)cc1F 96121715 WONLALKKEFHQRU-UHFFFAOYSA-N 368.387 3.531 0 40 FHAB Cc1ccc2[nH]c(C(=O)N3CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C3)cc2c1 1643583971 WODSYUIVVYCMJW-GDBMZVCRSA-N 356.466 3.916 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)NCCc1ccc(-c2ccoc2)s1 390830223 JPYLSJZOPKXPLF-UHFFFAOYSA-N 365.451 3.977 0 40 FHAB COc1ccc(Cl)cc1C(=O)NC1(c2cccs2)CCOCC1 390828072 OJIKIWRRLKGCNR-UHFFFAOYSA-N 351.855 3.846 0 40 FHAB CN1C(=O)CN=C(c2cccc(Br)c2)c2cc(Cl)ccc21 675082193 IXDNPIWRAOEGIY-UHFFFAOYSA-N 363.642 3.916 0 40 FHAB COC(=O)[C@](C)(c1ccccn1)N(C)CCCOc1cccc(Cl)c1 95459803 DWVBSPNOSVTRJD-IBGZPJMESA-N 362.857 3.524 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CC(N2C[C@H]3CCC[C@@H]3C2)C1 1775967592 XGQIOBXSXHTWTI-VXGBXAGGSA-N 354.281 3.941 0 40 FHAB COc1cccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)c1 5003466 QFLMGCJHZWWAEW-XMHGGMMESA-N 362.385 3.698 0 40 FHAB O=C(Nc1ccc(F)c(F)c1)c1cc(O)c(OCc2ccccc2)cn1 12168141 RRKYKCADDIWEQZ-UHFFFAOYSA-N 356.328 3.897 0 40 FHAB CCOc1cc(CCC(=O)N2CCc3[nH]c4c(C)c(C)ccc4c3C2)on1 12275616 VSDDTVUEDFYTEV-UHFFFAOYSA-N 367.449 3.689 0 40 FHAB COc1ccc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2ccc(OC)cc2)cc1 12361601 NQBTVEXWNSQKSA-DETIRCLXSA-N 367.489 3.824 0 40 FHAB Cc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)NCc2ccccc2)C1 12470739 AMSHDADWZPLOKI-GOSISDBHSA-N 351.450 3.555 0 40 FHAB Cc1ccccc1OCCN(C)C(=O)c1cc(Br)ccc1O 12872510 DWAFGEUJXXDKEA-UHFFFAOYSA-N 364.239 3.614 0 40 FHAB O=C(NC1CC1)[C@@H](Sc1nc(CC2CCCC2)n[nH]1)c1ccc(F)cc1 12156332 OQGZJTPXGBTQMG-KRWDZBQOSA-N 374.485 3.789 0 40 FHAB FC(F)(F)c1ccc(CN2CCC(c3n[nH]c4nccnc34)CC2)cc1 19333793 ZGQZMKXDHLAHIM-UHFFFAOYSA-N 361.371 3.751 0 40 FHAB C[C@H]1CN(CCOC(=O)Nc2ccc(Cl)cc2)CCN1C(C)(C)C 19365091 UMQSCSIFZSHZAJ-AWEZNQCLSA-N 353.894 3.693 0 40 FHAB CC(C)c1cc(C(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)no1 19452694 MXNCMFXMMNAKEM-HNNXBMFYSA-N 364.449 3.948 0 40 FHAB CCc1nccn1C[C@@H](C)C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 19523529 SSWSSPYAVRPXER-IAGOWNOFSA-N 373.472 3.538 0 40 FHAB COc1cccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c1 8166640 KQVQPHVHQYEMLD-LICLKQGHSA-N 350.399 3.803 0 40 FHAB CCOc1ccc(-n2c(S[C@@H]3CCOC3=O)nc3ccccc32)cc1 3496833 XNEWBEHAZIXHRH-QGZVFWFLSA-N 354.431 3.832 0 40 FHAB C[C@H](Sc1nnc2n1CCCCC2)C(=O)N[C@H]1CCCc2ccccc21 6097913 GTVYRZNWCQMVOF-YOEHRIQHSA-N 370.522 3.679 0 40 FHAB COc1ccc(-c2nnc(NC(=O)c3nc4ccccc4s3)o2)cc1 4276074 WCNPEHNEMZLQTG-UHFFFAOYSA-N 352.375 3.607 0 40 FHAB CCn1c(SCc2c(F)cccc2Cl)nc2c(c1=O)SCC2 4339357 WXAADLRDLHCODY-UHFFFAOYSA-N 356.875 3.996 0 40 FHAB COc1cccc(C(=O)NCc2cc(-c3ccc(Cl)cc3)on2)c1OC 12235640 HCRCHKLJCUNNEV-UHFFFAOYSA-N 372.808 3.942 0 40 FHAB Cc1nc2c(SCC(=O)N3CCCC3)nnc(-c3ccccc3)c2s1 12232770 MTTCNJSIODMBRA-UHFFFAOYSA-N 370.503 3.776 0 40 FHAB COCCNC(=O)Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 13717209 AIUXGPMDQYDDDM-UHFFFAOYSA-N 368.477 3.542 0 40 FHAB CSc1ccccc1NC(=O)C(=O)NCc1ccc(-c2ccco2)o1 575609460 BXRCKSLHZHQAJZ-UHFFFAOYSA-N 356.403 3.516 0 40 FHAB Cc1noc(C)c1CCC(=O)NCCn1nc(C)c(-c2ccsc2)c1C 575615532 QEFYELNWWQNANV-UHFFFAOYSA-N 372.494 3.582 0 40 FHAB COc1ccc(CCC(=O)NC[C@@H](O)c2ccc(-c3ccco3)cc2)cc1 585147853 CKWVCZYKKYDDPJ-HXUWFJFHSA-N 365.429 3.738 0 40 FHAB CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3ccc(F)cc3)oc2c1 1193554 OVSZUDCBTWIXMG-ATJXCDBQSA-N 353.397 3.749 0 40 FHAB Cc1ccc(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)cc1C 40090614 DQJDTDIEVFGVIV-UHFFFAOYSA-N 352.434 3.557 0 40 FHAB O=C(CSc1nc(C2CCCC2)n[nH]1)c1ccc2c(c1)OCCCO2 31796842 KUGABORJRMQBKO-UHFFFAOYSA-N 359.451 3.599 0 40 FHAB CCN(Cc1ccc(Br)s1)C(=O)c1ccc2c(c1)OCO2 32721772 IUFPPHINEWAVGO-UHFFFAOYSA-N 368.252 3.902 0 40 FHAB COc1ccc(-c2csc(NC(=O)CCn3nc(C)cc3C)n2)cc1F 32888517 HZMTXJMGXKERCZ-UHFFFAOYSA-N 374.441 3.800 0 40 FHAB C[C@@H](NC(=O)[C@@H](C)S(=O)(=O)Cc1ccc(Cl)s1)c1ccccc1 32929861 SGLPJJGMFZBDSG-VXGBXAGGSA-N 371.911 3.582 0 40 FHAB O=C(NCc1ccc(-n2cccn2)cc1)c1ccc(Br)s1 32925627 UJBNCSLEMIAYFR-UHFFFAOYSA-N 362.252 3.626 0 40 FHAB CC(C)Oc1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)cn1 33231045 LOXPJNWLNYEMRI-UHFFFAOYSA-N 371.418 3.502 0 40 FHAB O=C(Nc1cccc(OC(F)F)c1)c1ccc2c(O)[nH]c(=S)nc2c1 53434560 ZGVURSKNALKRBA-UHFFFAOYSA-N 363.345 3.852 0 40 FHAB O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 676474 GEXJPSNDGCHLGO-UHFFFAOYSA-N 373.478 3.942 0 40 FHAB O=C(Nc1ccc(Cl)cc1)/C(=C\c1cccnc1)NC(=O)c1ccco1 811543 OOKDYCCNZQQCSU-LFIBNONCSA-N 367.792 3.738 0 40 FHAB O=S(=O)(N[C@@H]1CCCc2ccccc21)c1ccc(Br)cc1 1002692 GTKMPQQVLOJQKH-MRXNPFEDSA-N 366.280 3.805 0 40 FHAB O=C(/C=C/c1ccco1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 1098939 ZAJGXLBTFBRRBS-GQCTYLIASA-N 366.339 3.787 0 40 FHAB O=C(CN1C(=O)S/C(=C\c2ccccc2F)C1=O)Nc1ccccc1 1207151 UOSGEAPRKQHLTC-GDNBJRDFSA-N 356.378 3.501 0 40 FHAB O=C(Cc1ccccc1S(=O)(=O)Nc1ccccc1)c1ccccc1 1707714 SUULIAZEIFDBIU-UHFFFAOYSA-N 351.427 3.913 0 40 FHAB Cc1cnc(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cn1 3219338 MAPLNWFBSSQEJW-UHFFFAOYSA-N 374.611 3.541 0 40 FHAB Cc1cc(C)cc(NC(=O)COC(=O)COc2ccc(Cl)cc2C)c1 3231761 BWXULDSJHXPJNJ-UHFFFAOYSA-N 361.825 3.826 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc2sc3ccccc3n12 3495616 TUHNEKVVRFOHIP-RYUDHWBXSA-N 360.508 3.731 0 40 FHAB COc1ccc(Cc2nnc(NC(=O)c3ccccc3F)s2)cc1OC 4190365 FTUIYIIYRSXETA-UHFFFAOYSA-N 373.409 3.538 0 40 FHAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccncc2)o1 4279702 JLVRRQJXNJHBRG-UHFFFAOYSA-N 360.826 3.824 0 40 FHAB CCOC(=O)C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1 4653403 SWEXZDPZCFSDEM-KRWDZBQOSA-N 361.825 3.773 0 40 FHAB CCOC(=O)C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1 4653404 SWEXZDPZCFSDEM-QGZVFWFLSA-N 361.825 3.773 0 40 FHAB CCOc1ccccc1NC(=O)c1nnn(-c2ccccc2OCC)c1C 4938488 AKOFDVWEXJDJNE-UHFFFAOYSA-N 366.421 3.625 0 40 FHAB CCc1cccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)c1 5141223 SUSNCXLUIIRJSM-UHFFFAOYSA-N 361.445 3.938 0 40 FHAB CCOC(=O)c1sc(NC(=O)c2c(-c3ccccc3)noc2C)nc1C 6047305 FTWFSWRORLXLQE-UHFFFAOYSA-N 371.418 3.844 0 40 FHAB CC(C)c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1 6050100 LUOXNXNDHMKGNT-UHFFFAOYSA-N 356.245 3.686 0 40 FHAB CC(=O)Nc1ccccc1OCC(=O)NCc1ccc(Cl)cc1Cl 6085533 NWIKIJVPENMKKT-UHFFFAOYSA-N 367.232 3.647 0 40 FHAB COc1ccc(CCSc2nnc3c(n2)[nH]c2ccc(F)cc23)cc1 6230375 OFWIDDOHRIXEDP-UHFFFAOYSA-N 354.410 3.989 0 40 FHAB CCc1ccc(N2C(=O)/C(=C/c3ccccc3Cl)C(=O)NC2=S)cc1 6359159 QSZSCWDNAMHSSA-RVDMUPIBSA-N 370.861 3.734 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)/C=C/c1cccc(Cl)c1 6586675 FQQNSMIUADVGKU-ATWMFIQVSA-N 355.821 3.874 0 40 FHAB Cc1cc(S(=O)(=O)Nc2cc(F)ccc2F)ccc1Br 6639528 AMZRRVWSXNOGNP-UHFFFAOYSA-N 362.195 3.837 0 40 FHAB C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)N(C)c1ccccc1 7161800 KHJAPLCBHJHMFZ-LBPRGKRZSA-N 374.491 3.887 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 7309484 ONTGFKGWWLNTSY-QGZVFWFLSA-N 373.474 3.600 0 40 FHAB CCC(CC)c1nnc(NC(=O)c2cc(OC)c(OC)cc2OC)s1 7814208 XQLJIPWHTMMUTA-UHFFFAOYSA-N 365.455 3.720 0 40 FHAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(C)cc2)CC1=O 7881886 LHPXANKGGJTUGU-ZDUSSCGKSA-N 358.825 3.649 0 40 FHAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cccc(Oc2ccccc2)c1 8231772 PCLZNYOYGPVJNM-OAQYLSRUSA-N 372.424 3.531 0 40 FHAB O=C(CCC(=O)N1CC[C@H]2CCCC[C@H]2C1)c1ccc2c(c1)OCCCO2 8394203 HHYOXVIHDLWLHL-AEFFLSMTSA-N 371.477 3.850 0 40 FHAB C[C@H](NC(=O)CSc1ccc(F)cc1F)c1ccc(-n2cncn2)cc1 8776720 NJHFTMRFTXEGEM-LBPRGKRZSA-N 374.416 3.515 0 40 FHAB COc1cc(Cl)c(S(=O)(=O)NCCc2ccccc2)cc1Cl 9061817 YVHAGLAZAFBIFK-UHFFFAOYSA-N 360.262 3.523 0 40 FHAB CCOC(=O)CC1=Nn2c(nnc2-c2ccc(Cl)cc2Cl)SC1 9341882 PZRBFPPYAUFMJZ-UHFFFAOYSA-N 371.249 3.515 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)NCc3ccccc3C)n2C)cc1 9722527 JMQZZCXMYRQBBT-UHFFFAOYSA-N 366.490 3.507 0 40 FHAB CCc1ccccc1NC(=O)CNC(=O)N[C@H](c1ccccc1)C1CC1 9935901 SWQSTVXJTCECQQ-HXUWFJFHSA-N 351.450 3.638 0 40 FHAB CC1=CC(C)(C)N(C(=O)CSc2nnc(N)s2)c2cc(C)ccc21 10157752 ZHRYQKZBSGRXSY-UHFFFAOYSA-N 360.508 3.750 0 40 FHAB Cc1cc(C)cc(NC(=O)c2cnc3sc4c(n3c2=O)CCCC4)c1 10327315 XGTYPFHRYLKWJD-UHFFFAOYSA-N 353.447 3.504 0 40 FHAB COc1ccc(CNC(=O)[C@H](C)Sc2ncccc2Cl)cc1OC 11251224 BCNKXDFLXNEXPD-NSHDSACASA-N 366.870 3.549 0 40 FHAB COc1ccc(-c2n[nH]cc2C(=O)NCCc2c[nH]c3ccccc23)cc1 11256698 ZBECMISCRHJPES-UHFFFAOYSA-N 360.417 3.539 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2[C@H](C)Nc3ncnn3[C@@H]2c2ccccc2)c(C)c1 11694768 JMRCVXZLNOMVQX-KFKAGJAMSA-N 361.449 3.553 0 40 FHAB COc1ccc(N[C@@H]2SC(=O)N(CCNc3cccc(C)c3)C2=O)cc1 12113030 CIFBPQKNPFLRGJ-QGZVFWFLSA-N 371.462 3.549 0 40 FHAB C[C@@H](Sc1ncnc2sccc12)C(=O)Nc1ccc(N(C)C)cc1 12534480 BFHNVZSKQPHFAL-LLVKDONJSA-N 358.492 3.877 0 40 FHAB O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1nc2c(s1)CCCCC2 12829609 NUIKHNMVELFQIG-HNNXBMFYSA-N 373.503 3.854 0 40 FHAB O=C(CSCc1coc(-c2ccc(Cl)cc2)n1)NCC(F)(F)F 12920888 XSAKBRZYPJOVJI-UHFFFAOYSA-N 364.776 3.907 0 40 FHAB C[C@H]1CN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C[C@@H](C)O1 13320167 UXRFYEJEGFGHJL-DTORHVGOSA-N 351.661 3.695 0 40 FHAB CC(C)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1Cc1ccco1 14093054 JJIBNCOPMCUKSU-UHFFFAOYSA-N 374.441 3.913 0 40 FHAB Brc1ccc(OCCSC2=N[C@@H]3CCCC[C@H]3N2)cc1 14196658 PPILQTAUVKFEMP-ZIAGYGMSSA-N 355.301 3.832 0 40 FHAB Cc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)OCCO3)c(Cl)c1 14257771 LAFSZGKRAVAZED-UHFFFAOYSA-N 362.838 3.546 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)CCOc1cc(C)ccc1C 14793570 UQQMITCDEDUQQG-UHFFFAOYSA-N 356.422 3.678 0 40 FHAB CCc1ccccc1NC(=O)CN(C)Cc1nc(-c2ccccc2C)no1 15294904 MHDSNQSVAJRDCF-UHFFFAOYSA-N 364.449 3.678 0 40 FHAB O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(Cc2ccc(Cl)cc2)C1 15674077 LJEXSUISHNBWDB-SJORKVTESA-N 355.825 3.698 0 40 FHAB biogenic,in-vitro COc1ccc(S(=O)(=O)N2CCc3cc4cccc(C)c4nc32)c(C)c1 15842073 UYCLMHXVDWJSEH-UHFFFAOYSA-N 368.458 3.612 0 40 FHAB O=C(NCCSCc1ccccc1F)c1ccc(N2CCCC2=O)cc1 17604317 HAIDTQUWRSJETH-UHFFFAOYSA-N 372.465 3.616 0 40 FHAB COc1ccc([C@@H](O)c2nc(-c3ccncc3)cc3ncccc23)cc1OC 19559922 NXIBHRSJNUXHJS-JOCHJYFZSA-N 373.412 3.791 0 40 FHAB Cc1ccc(-n2nnc(C(=O)Nc3ccc(Br)cc3)c2C)cc1 20467824 UGBFTZUEVXWIJS-UHFFFAOYSA-N 371.238 3.899 0 40 FHAB CC(C)NC(=O)NCc1ccc(C(=O)Nc2cccc3ncccc23)cc1 20925893 BRHSRXAQCHYWCI-UHFFFAOYSA-N 362.433 3.695 0 40 FHAB Cn1c(Cc2cccs2)nnc1SCc1nc(-c2ccccc2)no1 21462904 TXJVQFWBAHHZPZ-UHFFFAOYSA-N 369.475 3.810 0 40 FHAB Cc1ccc(NC(=O)C[C@@H](C)NC[C@@H](c2ccco2)N2CCCC2)cc1 22095758 NGJDQZWKXVCYAB-MJGOQNOKSA-N 355.482 3.732 0 40 FHAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3cc(Cl)c[nH]3)n2)C1 22295566 NYPQMMHWPUOVOQ-GHMZBOCLSA-N 352.891 3.855 0 40 FHAB CC(C)c1cc(-c2nnc3sc(COc4ccc(Cl)cc4)nn23)[nH]n1 22502501 BTZMEONWTUUKGJ-UHFFFAOYSA-N 374.857 3.932 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc3[nH]cnc3c2)cc1OC 23386071 CBRIFXOXOJEKJW-KRWDZBQOSA-N 351.406 3.557 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc(CN2CCOCC2)cc1 23990188 DLIWVGUAKJSKNF-UHFFFAOYSA-N 363.461 3.571 0 40 FHAB Cc1ccc(CCC(=O)Nc2ccccc2NS(C)(=O)=O)cc1Cl 24893046 CESJTYUHLDTNKY-UHFFFAOYSA-N 366.870 3.591 0 40 FHAB CC(C)c1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1 25500524 XCVNFRIGEMOFBE-SFHVURJKSA-N 358.507 3.675 0 40 FHAB C[C@H](NC(=S)Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCOCC1 25514835 KCXCDPAATICFIF-HNAYVOBHSA-N 373.497 3.574 0 40 FHAB CCCC(=O)Nc1ccccc1OCc1cc(=O)n2cc(Cl)ccc2n1 33068214 CODURSILQLUKEW-UHFFFAOYSA-N 371.824 3.666 0 40 FHAB O=C(NCc1cccnc1OCC(F)(F)F)C12CC3CC(CC(C3)C1)C2 33108470 FQJHJSFBTDRPSM-UHFFFAOYSA-N 368.399 3.855 0 40 FHAB Cc1ccc(C(=O)NC2CCN(C(=O)Nc3cccc(F)c3)CC2)cc1 35311810 XXLWOPGKSZVGKB-UHFFFAOYSA-N 355.413 3.560 0 40 FHAB CCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccccc3)c2c1=O 35527769 FMWIAYPYRZQMLL-UHFFFAOYSA-N 372.428 3.524 0 40 FHAB O=C(c1cccs1)N1CCC[C@H](c2nnc(Cc3ccc(F)cc3)o2)C1 35596873 LNYHAWQRQVZUEQ-AWEZNQCLSA-N 371.437 3.881 0 40 FHAB OC1=Nc2nc(N3CCOCC3)sc2[C@H](c2cc(Cl)ccc2F)C1 36357096 YXNHDFGHZNYXOY-NSHDSACASA-N 367.833 3.896 0 40 FHAB COCCCN(CC1(c2ccc(Cl)cc2)CC1)C1CCN(C)CC1 36743639 LRNVOTJGFDZIAF-UHFFFAOYSA-N 350.934 3.804 0 40 FHAB Cc1cc([C@@H](C)NC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)c(C)s1 40074247 RWFBGZYIKOVVCX-QRWLVFNGSA-N 372.534 3.926 0 40 FHAB C[C@H]1CCCN(Cc2ccccc2CNC(=O)COc2ccccc2)C1 40107106 CEDLHKDTRCLSMS-SFHVURJKSA-N 352.478 3.614 0 40 FHAB C[C@@H]1CCCN(Cc2ccc(NC(=O)CCNC(=O)C3CCCC3)cc2)C1 40121251 IABXXWBQBXXOJN-QGZVFWFLSA-N 371.525 3.554 0 40 FHAB CN1C(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3F)cc2C1=O 40130143 MBYOHVCPJWYTIG-UHFFFAOYSA-N 374.371 3.971 0 40 FHAB COc1ccc(Oc2ncccc2NS(=O)(=O)c2ccc(F)cc2)cc1 41615907 MOTYZNWCQIAWLX-UHFFFAOYSA-N 374.393 3.822 0 40 FHAB CCOC(=O)c1ccc(N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)nc1 43534080 BROPOKPXWPKYSO-OAHLLOKOSA-N 350.422 3.519 0 40 FHAB CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(Cn2ccnc2C)cc1 44908393 LDUZISMNLSIYOP-OAQYLSRUSA-N 368.525 3.624 0 40 FHAB COc1ccc2oc(-c3cc(OC)c(OC)cc3OC)c(OC)c(=O)c2c1 48057094 ZXWIEOLDGKAQFT-UHFFFAOYSA-N 372.373 3.503 0 40 FHAB biogenic CC[C@H]1c2ccsc2CCN1C(=O)NCc1ncc(C)c(OC)c1C 51755665 NVXZKAZAVGETAP-INIZCTEOSA-N 359.495 3.988 0 40 FHAB CC(C)[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)n1nnc(-c2ccccc2)n1 58009080 QRUWLQFKHAVNPF-KDOFPFPSSA-N 367.428 3.554 0 40 FHAB O=C(NC1CCCCC1)[C@H]1CCCN(CCCc2nc3ccccc3o2)C1 58411605 HSITYZIOQAOQTI-KRWDZBQOSA-N 369.509 3.921 0 40 FHAB O=S(=O)(c1ccccc1N1CCC(n2cccc2)CC1)C(F)(F)F 58555053 JVQXZHZBSGROKD-UHFFFAOYSA-N 358.385 3.623 0 40 FHAB Cc1nc(COC(=O)C2(NC(=O)OC(C)(C)C)CCC(C)CC2)oc1C 58598369 ATRBFTXJIFIJQS-UHFFFAOYSA-N 366.458 3.808 0 40 FHAB O=C(COc1ccc(C2SCCS2)cc1)N[C@@H]1COc2ccccc21 58727471 VXIJVUDVJWNWGQ-MRXNPFEDSA-N 373.499 3.794 0 40 FHAB COc1ccc(N(C)C(=O)c2ccccc2C(=O)c2cccs2)cn1 65622365 SIFITKZDIQDVQK-UHFFFAOYSA-N 352.415 3.659 0 40 FHAB CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)c1nc2c(F)cccc2s1 70973686 QSVHATSSOCCZJS-UHFFFAOYSA-N 373.497 3.957 0 40 FHAB O=C1[C@@H](C2CCN(c3cccnc3)CC2)CC=CCN1Cc1ccccc1 72380028 VXJQWZFIAOJQDE-JOCHJYFZSA-N 361.489 3.903 0 40 FHAB Cc1noc(-c2ccccc2C(=O)N(C)Cc2nc3ccccc3s2)n1 76041352 OELNZVNTXLVQGB-UHFFFAOYSA-N 364.430 3.927 0 40 FHAB COc1ncccc1CNC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 80069393 VUPXGMVTHMPSFY-LJQANCHMSA-N 351.450 3.842 0 40 FHAB Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)CNC(=O)c2ccoc2C)cc1 85686830 YYJZWXLOUWLGCX-FOIQADDNSA-N 354.450 3.626 0 40 FHAB O=C(Nc1ccc(N2CCC(O)CC2)cc1)[C@@H]1C[C@H]1c1ccc(F)cc1 89783292 VZRXIVFBSGUKAR-VQTJNVASSA-N 354.425 3.529 0 40 FHAB C[C@@H]1CCCN(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)[C@@H]1CO 89868989 GYCCSDVKGLPIBJ-CXAGYDPISA-N 351.878 3.565 0 40 FHAB C[C@@H]1CN(C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21 89941170 SWBVOZQIUFVRMU-GFCCVEGCSA-N 362.351 3.586 0 40 FHAB CN(Cc1ccc(Cl)cc1)c1nc(Br)cn2ccnc12 94488252 ZENYFHKZJGXJJZ-UHFFFAOYSA-N 351.635 3.782 0 40 FHAB O=C(O)Cc1sc(N2CCCC2)nc1-c1ccc(Br)cc1 95097151 YKWXISCZBYLNKY-UHFFFAOYSA-N 367.268 3.800 0 40 FHAB O=C(CCn1ccc2ccc(Cl)cc21)Nc1ccc2c(c1)COC2=O 95476753 NYBJAJVVLXBECB-UHFFFAOYSA-N 354.793 3.994 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 95482259 UCBADINOASXBIG-CYBMUJFWSA-N 371.824 3.816 0 40 FHAB COC(=O)CCCN1CCC(N[C@@H]2CCCC[C@H]2Cc2ccccc2)CC1 95986442 NKLNROKCUHYQHU-RBBKRZOGSA-N 372.553 3.795 0 40 FHAB O=S(=O)(NCc1ccccc1)c1cccc(COc2ccccc2)c1 96182351 RLTVRQIEWAYIJE-UHFFFAOYSA-N 353.443 3.744 0 40 FHAB CC(C)Cn1cnc(S(=O)(=O)N2c3ccccc3CC[C@H]2C(C)C)c1 97117199 XODCFBBLOOSJKA-KRWDZBQOSA-N 361.511 3.705 0 40 FHAB O=C(c1ccc(F)c(F)c1)N1[C@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2 100160273 WKXJPGWWFWMEPX-HOTGVXAUSA-N 361.363 3.759 0 40 FHAB CCn1c(C)cc(C(=O)OCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c1C 104014657 YJQZUZNMBFEOKV-IERDGZPVSA-N 360.498 3.709 0 40 FHAB Cc1cccc(N(CCCC(=O)Nc2c(C)cccc2C)S(C)(=O)=O)c1 113956160 ASKSGSISNQQLNZ-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cnc(-c3ccc(F)cc3)nc2C)c1 222583218 LRMLAMPAUKPCLE-UHFFFAOYSA-N 367.380 3.861 0 40 FHAB CCCc1ccc(OCCNC(=O)CCc2ccc(OC)c(OC)c2)cc1 224396074 AZKGDKOUHCHRFP-UHFFFAOYSA-N 371.477 3.784 0 40 FHAB Cc1ccc(C(=O)Nc2cccc(F)c2)c(I)c1 225014350 IKZPQXMZKVSJNW-UHFFFAOYSA-N 355.150 3.991 0 40 FHAB O=C(CCSc1ccccc1)NCC1CCN([C@H]2CCSC2)CC1 225569881 YUPMFXIKMZFOLK-KRWDZBQOSA-N 364.580 3.503 0 40 FHAB O=C(c1ccc2nsnc2c1)N1CCc2cc(-c3ccncc3)ccc21 225638347 FYKFAEZHIAABDE-UHFFFAOYSA-N 358.426 3.956 0 40 FHAB Cc1cccc(CO[C@@H]2CSC3(C2)CN(C(=O)c2cc(C)oc2C)C3)n1 247994389 CCWVGKIGZBABRW-KRWDZBQOSA-N 372.490 3.517 0 40 FHAB CC(C)(C)c1cc(C(=O)N2C[C@H]3[C@@H](Oc4ccccc4)CC[C@H]3C2)[nH]n1 257269626 MQSLVDCDTZFBHV-LESCRADOSA-N 353.466 3.637 0 40 FHAB COc1cc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCCC[C@H]3O2)ccc1N1CCCC1 257287014 POBYLXOTXBAOPH-UYWIDEMCSA-N 372.509 3.820 0 40 FHAB Cc1nc(Nc2ccccn2)cc([C@@H]2CCCCN2Cc2c[nH]nc2C)n1 257326735 WYJWMXUIWWUUTO-SFHVURJKSA-N 363.469 3.682 0 40 FHAB Cc1nc(C(=O)N2CC[C@@]3(CCn4c(-c5cccs5)cnc43)C2)cs1 306141572 WAUDBIIJWBNQOM-GOSISDBHSA-N 370.503 3.564 0 40 FHAB Cc1ccccc1CC(=O)N1C[C@H]2Cn3c(-c4ccccc4)cnc3C[C@H]2C1 306141884 WIYOTKRHTHCKCL-SFTDATJTSA-N 371.484 3.732 0 40 FHAB O=C(Nc1cccc2[nH]ccc12)c1cc(=O)c(OCc2ccccc2)c[nH]1 524733834 UJRGZJXQCQPNDP-UHFFFAOYSA-N 359.385 3.688 0 40 FHAB Cn1nccc1[C@H]1C[C@@H](NCc2ccc(Cl)c3cccnc23)CCO1 556173623 KXQBJSUEVCKALU-KBXCAEBGSA-N 356.857 3.632 0 40 FHAB CN(C(=O)c1occ2c1CCC2)c1ccc(OCCN2CCCC2)cc1 585082059 WGFSDKWNOBVQAX-UHFFFAOYSA-N 354.450 3.520 0 40 FHAB CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1cc(Cl)sc1Cl 678368629 UWJKPQHTACEWTG-SECBINFHSA-N 374.297 3.543 0 40 FHAB CCN(CC)C(=O)CCC1CCN(c2ccnc3c(O)cccc23)CC1 684580050 QKYUZXBEHYAKJS-UHFFFAOYSA-N 355.482 3.805 0 40 FHAB Cc1ccc(N2CCN(c3ncnc4sc5c(c34)CCC5)CC2)cc1 641441 PDXQFKUVTSLULM-UHFFFAOYSA-N 350.491 3.815 0 40 FHAB COc1ccc(C(=O)/N=c2\sc(C)c(-c3ccccc3)n2C)cc1OC 687697 YFASWHJGKQWALA-MRCUWXFGSA-N 368.458 3.820 0 40 FHAB O=C(Nc1ccccc1F)c1cc2cc(Br)ccc2oc1=O 783461 XGBAOUYMTLQWBF-UHFFFAOYSA-N 362.154 3.947 0 40 FHAB COC(=O)C1=CN(C2CCCC2)C=C(C(=O)OC)C1c1ccc(C)s1 815743 ZIYNCALLBUMXMT-UHFFFAOYSA-N 361.463 3.512 0 40 FHAB COC(=O)c1cccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)c1 950130 UUVDOOMKFGTEFV-UHFFFAOYSA-N 355.419 3.534 0 40 FHAB COc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)O2)cc1 1215184 WJOWCUXELKMNQS-XNTDXEJSSA-N 358.191 3.802 0 40 FHAB O=C(C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(F)cc1 1624353 JBFSDQSHSSHAOT-MRXNPFEDSA-N 354.164 3.545 0 40 FHAB Nc1c(-c2nnc(S)n2-c2ccc(Cl)cc2)cnn1-c1ccccc1 2523150 MFFPBQXKCKMVFF-UHFFFAOYSA-N 368.853 3.644 0 40 FHAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1n[nH]c(=O)c2ccccc12 3330077 SMJVBKFOTOIZFU-UHFFFAOYSA-N 367.714 3.848 0 40 FHAB CN(CCOc1ccccc1)CC(=O)Nc1ccc(C(F)(F)F)cc1 3442626 HYUQCZCRJTUITI-UHFFFAOYSA-N 352.356 3.655 0 40 FHAB Nn1c(SCCCC(=O)c2ccc(F)cc2)nnc1C1CCCCC1 3446349 DEPNLLBPVRYHLV-UHFFFAOYSA-N 362.474 3.934 0 40 FHAB COc1ccc(/C=C(/NC(=O)/C=C/c2ccccc2)C(=O)OC(C)C)cc1 4545248 IOWOWCCAEIVKPA-LPCVSTDKSA-N 365.429 3.817 0 40 FHAB COc1cccc([C@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)c1 4554074 JOQRXJFDUAKZNY-KRWDZBQOSA-N 357.479 3.952 0 40 FHAB Nn1c(SCc2c(F)cccc2F)nnc1-c1ccccc1Cl 5025845 INFBJSUVRADENO-UHFFFAOYSA-N 352.797 3.883 0 40 FHAB CCCCOCCOCCN(CCOCCCC)CCOCCCC 5420200 VOYMFFCLVRAYIK-UHFFFAOYSA-N 361.567 3.755 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 7381455 JHEQXYFZIRMSJP-UHFFFAOYSA-N 371.842 3.557 0 40 FHAB C[C@@H]1c2ccsc2CCN1C(=O)C1CCN(C(=O)c2cccs2)CC1 7830533 WODKOHZBHPBKTA-CYBMUJFWSA-N 374.531 3.808 0 40 FHAB COc1cc(NC(=O)[C@@H](C)Oc2ccccc2OC)c(OC)cc1Cl 8050163 BSXAYDAGFMSXRM-LLVKDONJSA-N 365.813 3.772 0 40 FHAB COc1cc(/C=C2\N=C(S)N(C)C2=O)ccc1OCc1cccc(F)c1 8091491 VJWXZONWLSZJHF-DHDCSXOGSA-N 372.421 3.512 0 40 FHAB COc1ccc([C@@H](CNC(=O)Cc2cccs2)N2CCCCC2)cc1 8131820 XNSCESHYFLWCGQ-LJQANCHMSA-N 358.507 3.643 0 40 FHAB Cc1cc(C)nc(SCC(=O)OCc2ncc(-c3ccccc3)o2)n1 8345495 VECGEFREWMYZSD-UHFFFAOYSA-N 355.419 3.584 0 40 FHAB CC(C)(C)c1ccc(-c2[nH]nc(SCC(=O)O)[n+]2-c2ccccc2)cc1 8557527 OIABDBWVECDPBC-UHFFFAOYSA-O 368.482 3.828 0 40 FHAB O=S(=O)(Nc1cnc2ccccc2c1)c1ccccc1Br 8674508 JJUIKFZKUVEGIB-UHFFFAOYSA-N 363.236 3.798 0 40 FHAB CC(=O)N1CCC(C(=O)Nc2cccc(C)c2C)(c2ccccc2)CC1 8772189 BLCHMRGTGWRKLO-UHFFFAOYSA-N 350.462 3.822 0 40 FHAB Cn1ccnc1[C@H](NC(=O)/C=C/c1ccc(F)cc1)c1cccc(F)c1 9335943 QFNYEYOYFXXCMQ-QPGLYAHGSA-N 353.372 3.617 0 40 FHAB COC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 9570842 WNUXZTHNBQRPDC-UHFFFAOYSA-N 373.865 3.777 0 40 FHAB Cn1ccnc1SCC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 9928132 WYWCAYHIVNBWTE-UHFFFAOYSA-N 364.902 3.795 0 40 FHAB COc1ccc(C(=O)Nc2ccccc2OC(F)F)c(OC)c1OC 10213865 WEBSZMUICGVYBW-UHFFFAOYSA-N 353.321 3.566 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cc(C)c3[nH]c(=O)cc(C)c3c2)c(C)c1 10274244 XISLHYYIBTVSCZ-UHFFFAOYSA-N 356.447 3.563 0 40 FHAB C[C@H]1Oc2ccc(-c3csc(NC(=O)c4ccccc4)n3)cc2NC1=O 11904347 QCANPZSPSQOABM-LLVKDONJSA-N 365.414 3.782 0 40 FHAB C[C@@H]1Cc2cc(CN3C[C@@H]4CCC[C@H](C3)C4(O)c3ccccn3)ccc2O1 12135207 GTPPEZDUZPHZMZ-WHPUMZMWSA-N 364.489 3.525 0 40 FHAB O=C(c1cccnc1)C1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 12143298 ONZUTYLPRQQFJS-UHFFFAOYSA-N 360.816 3.538 0 40 FHAB COc1ccc(-c2nc(CC(=O)Nc3cccc(C)n3)cs2)cc1OC 12324995 JMTHYNHKRDIJOU-UHFFFAOYSA-N 369.446 3.712 0 40 FHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCSCc1ccco1 12781733 LWWFGIGGLJHGCP-UHFFFAOYSA-N 358.467 3.577 0 40 FHAB CCCCc1noc(CSc2nc3ccccc3c(=O)n2C(C)C)n1 12877081 SCJAAGVTNBUPMR-UHFFFAOYSA-N 358.467 3.995 0 40 FHAB Cc1ccc(OCC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c(C)c1 12884874 UQJKJHUPQZODLN-SFHVURJKSA-N 366.461 3.560 0 40 FHAB CC(C)Cc1ccc([C@H](C)NC(=O)CNC(=O)NCc2ccccc2)cc1 12930060 YOFOPGVDEKYDCJ-KRWDZBQOSA-N 367.493 3.562 0 40 FHAB CCOc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)c(OCC)c1 13320378 VPDZBXWKQVICDM-UHFFFAOYSA-N 360.498 3.575 0 40 FHAB O=C(OCc1cc2ccccc2[nH]c1=O)c1ccccc1Br 13770660 BVVMTUFHDRSXCU-UHFFFAOYSA-N 358.191 3.648 0 40 FHAB COc1cc(C)c(CN2CCC(O)(c3cccc(C)c3)CC2)cc1OC 13998295 FEGSBTXRSPSGCY-UHFFFAOYSA-N 355.478 3.804 0 40 FHAB Cc1ccccc1OCCOC(=O)[C@@]12CCC(=O)N1c1ccccc1S2 14068283 FBGPLCOCXHRKDF-FQEVSTJZSA-N 369.442 3.546 0 40 FHAB CC[C@H](Sc1nnc(-c2ccc(C)cc2)o1)C(=O)Nc1cc(C)on1 14139093 FDWGWOAITPHSCW-ZDUSSCGKSA-N 358.423 3.851 0 40 FHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)/C=C/c1ccccc1 15619484 BHEZXIKUVJGHLW-JXMROGBWSA-N 373.250 3.526 0 40 FHAB O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 16101627 VYBZLNLZVGKKFF-UHFFFAOYSA-N 360.218 3.565 0 40 FHAB CCCOC(=O)c1ccc(NC(=S)NC(=O)c2cc(C)cc(C)c2)cc1 17075937 ANONQLUZYYPAEF-UHFFFAOYSA-N 370.474 3.997 0 40 FHAB CCC(=O)N1CCCc2ccc(NC(=O)Cc3ccc(OC)cc3)cc21 17247732 UJOLFJYWCZHGGV-UHFFFAOYSA-N 352.434 3.566 0 40 FHAB Cc1c(-c2cc(C(=O)N[C@H](C)CCCc3ccccc3)no2)cnn1C 19554077 IOMCDUNCCSXJMO-CQSZACIVSA-N 352.438 3.525 0 40 FHAB CCOC1CCN(C(=O)c2cc(-n3nc(C)cc3C)ccc2Cl)CC1 19718324 ZRWJOUAVJPSHPM-UHFFFAOYSA-N 361.873 3.784 0 40 FHAB Cc1occc1-c1nnc(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)o1 21332163 SIYXDJMKKQALSH-JTQLQIEISA-N 354.391 3.728 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2cccc3cccnc23)C1 21552482 RVHDCHHNEHOJSF-OAHLLOKOSA-N 355.438 3.820 0 40 FHAB COc1ccc(C(C)C)cc1S(=O)(=O)N[C@@H](C)c1ccc(F)cc1 22540387 AGJGDGDRCZAZDT-ZDUSSCGKSA-N 351.443 3.997 0 40 FHAB NC(=O)CCn1c(SCc2ccc(Cl)cc2Cl)nnc1C1CC1 23363347 KKUZENVQMSRORS-UHFFFAOYSA-N 371.293 3.630 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cnc2ccccc2n1 23730851 VGCWABJUETVYKE-UHFFFAOYSA-N 371.444 3.705 0 40 FHAB COC[C@@H](C)NC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc(OC)cc1)(C3)C2 27472289 SRBKDOYCFNFVHD-WKUAPKQTSA-N 357.494 3.684 0 40 FHAB COc1ccc(Cn2nccc2NC(=O)COc2c(C)cccc2C)cc1 28403148 UGDFRSNGBRUONU-UHFFFAOYSA-N 365.433 3.574 0 40 FHAB O=C(Nc1ccc2ccccc2c1)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 28404237 ROCSWHKXUYBLCK-GOSISDBHSA-N 362.404 3.966 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1cccc(OC(C)C)c1 30753905 WVAXWIUXRPMJCZ-FQEVSTJZSA-N 357.450 3.956 0 40 FHAB COc1cc(CN[C@@H](C)[C@@H]2CCCO2)ccc1OCc1c(C)noc1C 30908427 GIKJWFLRUICSBJ-KSSFIOAISA-N 360.454 3.536 0 40 FHAB Cc1cccc(N2CCN(C(=O)c3ccc(Cn4ccnc4)cc3)CC2)c1C 30945016 PJIIFASGWUIUDP-UHFFFAOYSA-N 374.488 3.511 0 40 FHAB CC(C)C[C@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1 32795622 JXENQXCFQAQRFF-MOPGFXCFSA-N 352.482 3.597 0 40 FHAB CC(C)c1nc2cc(NC(=O)CCNC(=O)c3cccs3)ccc2o1 32818779 LAQLLNSXDUOVPF-UHFFFAOYSA-N 357.435 3.771 0 40 FHAB O=C(NCc1ccccc1F)C1CCN(c2nc3ccccc3s2)CC1 35290279 SQDWBVPKDNMXLL-UHFFFAOYSA-N 369.465 3.968 0 40 FHAB COc1ccc(CC(=O)NCc2ccccc2CN2CCCC[C@@H]2C)cc1 36392049 DTHQFMFYRQLPBV-SFHVURJKSA-N 366.505 3.929 0 40 FHAB COc1cccc(CO[C@H](C)C(=O)Nc2ccc(N3CCCCC3)nc2)c1 40093342 HPUANWRFOKEFMI-MRXNPFEDSA-N 369.465 3.624 0 40 FHAB C[C@H]1CCCCN1CCCCNC(=O)CCCc1nc2ccccc2[nH]1 40112650 ZIEPJBAZPZSTCQ-KRWDZBQOSA-N 356.514 3.656 0 40 FHAB CCOCCCC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl 40131899 KRSGTAYKYGULMI-UHFFFAOYSA-N 356.253 3.993 0 40 FHAB CNC(=O)COc1ccc(/C=C/c2nc3ccccc3s2)cc1OC 40139586 KLGGWDYUTSFJJE-CSKARUKUSA-N 354.431 3.600 0 40 FHAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc(Oc3ccccc3)nc2)n1 40142535 MMTJORWERHBCIQ-HNNXBMFYSA-N 364.449 3.753 0 40 FHAB Cc1cc(OCC(=O)Nc2cccc(Cl)c2)nc(N2CCC[C@H](C)C2)n1 44168793 IRQVRADQYVAARI-ZDUSSCGKSA-N 374.872 3.692 0 40 FHAB COc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 44933199 CQWZUCZOPYPKQP-QFBILLFUSA-N 370.468 3.924 0 40 FHAB C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 45904035 FDGQRRNQIVSATP-STQMWFEESA-N 361.825 3.756 0 40 FHAB O=C(Nc1cccc(OC(F)(F)F)c1)c1csc(-c2ncccn2)n1 47210252 OPQRNNYFKDJORK-UHFFFAOYSA-N 366.324 3.751 0 40 FHAB CCN1CCC(NC(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 47979781 UFNVCLKIJMZPRZ-HNNXBMFYSA-N 353.919 3.660 0 40 FHAB C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1cccnc1N1CCCC1 48252031 FZPNLKDSYMOAES-OAHLLOKOSA-N 351.450 3.577 0 40 FHAB Cn1c2c(sc1=O)[C@@H](c1ccc(F)cc1F)CC(=O)N2c1ccccc1 49547924 PHKLRIWYSYPULN-CQSZACIVSA-N 372.396 3.925 0 40 FHAB O=C1C[C@H](c2ccncc2)c2c(c(C(=O)O)cn2-c2ccccc2Cl)N1 49548685 KFTUXCDFODJILI-GFCCVEGCSA-N 367.792 3.698 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@@H](C)Nc1cccc(CN2CCOC2=O)c1 56160896 PGXQEBBYTWUJNT-MRXNPFEDSA-N 367.449 3.695 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3C)n[nH]2)c(OC)c1 57412848 AKHKPWDXNIALJY-UHFFFAOYSA-N 351.406 3.963 0 40 FHAB Cc1ccc(-c2noc(CCC(=O)N3CCc4sccc4C3)n2)cc1F 57447261 JAJLWZXCWVOGHK-UHFFFAOYSA-N 371.437 3.763 0 40 FHAB CN(Cc1cc(Br)ccc1F)C(=O)/C=C/c1nccs1 58281635 RLTSXEQDAZZERN-SNAWJCMRSA-N 355.232 3.717 0 40 FHAB Cc1noc2nc(C3CC3)cc(C(=O)NCCO[C@@H]3CCCC[C@@H]3C)c12 60574860 MGXOFWVOHAHQBG-YVEFUNNKSA-N 357.454 3.734 0 40 FHAB CCOC(=O)Nc1cccc(C(=O)NC2CCN(CC3CCCC3)CC2)c1 62580425 AWIOTDLTNQZXCJ-UHFFFAOYSA-N 373.497 3.639 0 40 FHAB Cc1ccc(-c2nnc(Cc3nc(-c4ccc(F)cc4)no3)o2)cc1F 65185430 OWGVWYLUKDOPEQ-UHFFFAOYSA-N 354.316 3.964 0 40 FHAB Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cccc(N(C)C)c1 72058207 VTMNGZLBUKINJC-UHFFFAOYSA-N 369.534 3.862 0 40 FHAB O=C(c1cc[nH]n1)N1CCC[C@@H]1c1cncc(Oc2ccc(Cl)cc2)n1 72384030 ZVAHXQMGLQTMFW-MRXNPFEDSA-N 369.812 3.623 0 40 FHAB Cc1cc(NCCc2nc(-c3ccccc3)c(C)s2)n2ncnc2n1 75109740 LSCSWGPYMLIFON-UHFFFAOYSA-N 350.451 3.519 0 40 FHAB CC[C@@H](NC(=O)Nc1nc(-c2ccccc2)ns1)c1cnn(CC)c1 78954169 QGYKCYOIDMPKBM-CQSZACIVSA-N 356.455 3.694 0 40 FHAB O=C(CCn1ccc2ccc(Cl)cc21)N1CC[C@@]2(O)CCCC[C@H]2C1 79477099 DIQPPDVUPXARTH-JXFKEZNVSA-N 360.885 3.838 0 40 FHAB COC(=O)c1cc2ccccc2cc1NC(=O)c1cc(=O)c2ccccc2o1 83895680 HNQWZPFSYRONNF-UHFFFAOYSA-N 373.364 3.985 0 40 FHAB Cc1ccc(-c2noc(CSc3nnc(-c4ccncc4)o3)n2)cc1F 84185437 FLZCPBIWOJAPFE-UHFFFAOYSA-N 369.381 3.921 0 40 FHAB CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1cc2c(s1)CCSC2 89948281 ZOKVXILGGWLEMD-TZMCWYRMSA-N 367.536 3.874 0 40 FHAB O=C(CC1CCN(Cc2cccn2Cc2cccs2)CC1)N1CCCC1 92055593 XIPVHVXFEQEMBA-UHFFFAOYSA-N 371.550 3.822 0 40 FHAB Cc1cc(NC(=O)C[C@H](Cn2cccc2)c2ccc(Cl)cc2)nn1C 95478346 TTXIYKBZRMJSJP-MRXNPFEDSA-N 356.857 3.996 0 40 FHAB Cc1cc(C)c2c(c1)CCCN2S(=O)(=O)c1cccc2cccnc12 95944098 RCGQLZWGWQSSGF-UHFFFAOYSA-N 352.459 3.993 0 40 FHAB CN1C(=O)C[C@H](c2ccccc2)C12CCN(Cc1ccc(F)cc1)CC2 96061438 QMLFRBVPKGGRHG-HXUWFJFHSA-N 352.453 3.806 0 40 FHAB Cc1ccccc1C(=O)N1CCc2c(CN3CCCC3)nn(C(C)C)c2C1 96255939 NDPFZTZRGZIKNA-UHFFFAOYSA-N 366.509 3.567 0 40 FHAB C[C@@H](NC(=O)c1ccccn1)c1onc(-c2ccc(Cl)cc2)c1C(=O)O 96296955 ZOZVXLXWVWYVLG-SNVBAGLBSA-N 371.780 3.579 0 40 FHAB biogenic,in-vitro CCS(=O)(=O)C(Cl)(Cl)[C@@H](O)c1ccc(Cl)cc1Cl 96519677 ALUWBPFEMPYZLU-VIFPVBQESA-N 352.066 3.593 0 40 FHAB CCN1c2cc(C(=O)Nc3ccc(F)cc3)ccc2C(=O)N2CCCC[C@@H]21 97944088 JNYJRGBFBYQTPE-LJQANCHMSA-N 367.424 3.870 0 40 FHAB Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)Nc2cccc(O)c2)c1 98066555 IZJZXVWEHFVDJC-UHFFFAOYSA-N 368.462 3.629 0 40 FHAB CCc1cccc(C)c1NC(=O)[C@H](C)N(c1cccc(C)c1)S(C)(=O)=O 220132642 FQVFJMPRIBSWGY-INIZCTEOSA-N 374.506 3.659 0 40 FHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)[nH]1 223523922 ZUUYAKOHZVFRSJ-RTBURBONSA-N 363.490 3.594 0 40 FHAB CSc1ccc(CN(C)S(=O)(=O)c2ccc(SC)cc2)cc1 223734975 IYWDCFUVKKACCP-UHFFFAOYSA-N 353.534 3.951 0 40 FHAB Cc1noc(C)c1/C=C1/SCCN1C(=O)COc1ccccc1Cl 225247148 OSDDXWHKAJBGSB-RQZCQDPDSA-N 364.854 3.898 0 40 FHAB COc1ccccc1CN1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 225486672 PIXOHDSMHOYPAQ-KRWDZBQOSA-N 356.397 3.565 0 40 FHAB biogenic,in-vitro C[C@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)N(C)Cc1cccnc1 253401397 MUUWKRAHJHGFPA-LBPRGKRZSA-N 371.824 3.716 0 40 FHAB biogenic,in-vitro COc1ccccc1/C=C/C(=O)N1CCN(C/C=C/c2ccccc2)CC1 255941747 VQMNMCOHLBITLE-CDITWBNYSA-N 362.473 3.566 0 40 FHAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCCN2Cc2ncc[nH]2)n1 257230286 GBOZXOJJRZKJFR-HNNXBMFYSA-N 369.498 3.744 0 40 FHAB Cc1ncc(C(=O)N2CCC[C@H](Cc3ccc4cnccc4c3)CC2)cn1 257247517 IZIFZZQQMMGPIE-KRWDZBQOSA-N 360.461 3.818 0 40 FHAB Cc1cnc(CN2CCC[C@H](c3ccc(-c4c(C)noc4C)cn3)C2)cn1 257249719 JJMUQAHHFBJBAY-SFHVURJKSA-N 363.465 3.831 0 40 FHAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)c1 408598263 YNQBIZBWDKNFBW-UHFFFAOYSA-N 372.490 3.649 0 40 FHAB Cc1c(F)cccc1NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 408998202 APEJAMBPPHBDDJ-GOSISDBHSA-N 356.397 3.874 0 40 FHAB O=C(CN1C(=O)S/C(=C/c2ccoc2)C1=O)Nc1ccccc1Cl 409253131 YTMNWUSVMQPJOP-NTUHNPAUSA-N 362.794 3.608 0 40 FHAB O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1cnc(-c2ccco2)s1 513254149 IIPUYXDWCHFESN-INIZCTEOSA-N 367.474 3.798 0 40 FHAB COc1c(CNC(=O)N2CCCC[C@H]2c2cc[nH]n2)oc2ccccc12 570117252 GNGQSKPGSZXSAQ-HNNXBMFYSA-N 354.410 3.601 0 40 FHAB COc1ccc(C[C@@H](C)CNC(=O)c2ccc3c(c2)NC(=O)C3(C)C)cc1 570832700 MNJOMNBHIXXZSW-CQSZACIVSA-N 366.461 3.534 0 40 FHAB O=C(CCSc1ccccc1)NC[C@@H](c1ccsc1)n1cccn1 575612913 DCUIBMGQOXQFMU-KRWDZBQOSA-N 357.504 3.833 0 40 FHAB Cc1ncc(CN2CC[C@]23CCCN(C(=O)C2(C)CCCCC2)C3)s1 585101734 CJHKZLXHBGQSEW-FQEVSTJZSA-N 361.555 3.989 0 40 FHAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(Cc2ccccc2C)C3)n1 585105222 QQSIXZZCIITWHO-OAQYLSRUSA-N 352.478 3.649 0 40 FHAB CO[C@H]1CN(C(=O)/C=C/c2csc(C)n2)CC[C@@H]1Cc1ccc(C)cc1 585290980 YSTHRFGDPHVXNS-ZZHWGSSASA-N 370.518 3.879 0 40 FHAB CCCc1ccc(-c2ccc(NC(=O)[C@@H]3CC[C@@H](C(=O)O)NC3)cc2)cc1 657221938 ZUZWBMRHFRFKHS-QUCCMNQESA-N 366.461 3.697 0 40 FHAB O=S(=O)(c1ccc(Br)cc1)N1CC[C@H](c2ccsc2)C1 667383999 WEKYVIMCHOCIMT-NSHDSACASA-N 372.309 3.689 0 40 FHAB Cc1cc(NC(=O)C(C)(C)c2ccc3c(c2)OCCO3)nn1[C@@H](C)C1CC1 680043837 SKVYMKXUSPXYNJ-AWEZNQCLSA-N 369.465 3.850 0 40 FHAB CC[C@@H]1CN(C(=O)c2cccc(N[C@@H](C)C(C)C)c2C)C[C@]2(CCOC2)O1 684523866 NKVWJILJPNTRQV-SVMVAKDDSA-N 374.525 3.862 0 40 FHAB Cc1ccn(C(=O)c2cc3c(C)nn(C)c3s2)/c(=N/C2CCCCC2)c1 1087030959 MDFHRKJDUKUUOV-DYTRJAOYSA-N 368.506 3.975 0 40 FHAB CN1CCN(S(=O)(=O)c2cc3ccccc3s2)[C@H](c2ccccc2)C1 1185426555 QXHPXMTXLIFZOY-KRWDZBQOSA-N 372.515 3.579 0 40 FHAB Cc1nc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c2ccncc2n1 2298070644 KYRVLOMORZMODI-UHFFFAOYSA-N 373.382 3.679 0 40 FHAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 694556 PHMFAIZNHTYKOP-HTEOGMQZSA-N 359.731 3.820 0 40 FHAB CC(C)(C)NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 918387 SOJTWVFECLBLEK-BXKDBHETSA-N 356.348 3.665 0 40 FHAB O=c1c(-c2ccc3c(c2)OCCO3)coc2ccc(Br)cc12 939011 DFWWTUJMDNBGPC-UHFFFAOYSA-N 359.175 3.994 0 40 FHAB biogenic CCOC(=O)c1cc2sccc2n1CC(=O)Nc1ccc(OC)cc1 1338056 RVLZUDQJPJDAGP-UHFFFAOYSA-N 358.419 3.527 0 40 FHAB Cc1ccc(C(=O)OCC(=O)c2ccc(OC(=O)c3ccco3)cc2)cc1 992962 RUOFAMBQTNCIJC-UHFFFAOYSA-N 364.353 3.847 0 40 FHAB CCCSc1nnc(CSc2ncccn2)n1-c1ccc(OC)cc1 2706091 MISDNCFUTIESHT-UHFFFAOYSA-N 373.507 3.860 0 40 FHAB Cc1ccc(CN(C)Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)cc1 23731140 LUDUDOYFPKABAR-UHFFFAOYSA-N 361.367 3.882 0 40 FHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(F)cc1Cl 12598687 USAKLSYJCFKWCW-UHFFFAOYSA-N 367.760 3.535 0 40 FHAB Cc1cc(C)c(C(=O)COC(=O)c2cc(=O)c3ccccc3o2)cc1C 3587759 VJPYNQWUQDKUIH-UHFFFAOYSA-N 350.370 3.758 0 40 FHAB CCCn1c(NC(=O)CCCNC(=O)c2cccs2)nc2ccccc21 12559751 HNIUFJMVOHKEKH-UHFFFAOYSA-N 370.478 3.657 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN1C(=O)OCC(C)C 6159652 RVVRHMPQKDVUBF-CQSZACIVSA-N 354.834 3.544 0 40 FHAB O=C(NC[C@@H]1COc2ccccc2O1)C1c2ccccc2Oc2ccccc21 6260979 AUGGRKVMLAZNIK-OAHLLOKOSA-N 373.408 3.880 0 40 FHAB CCOc1ccc(NC(=O)CCN2C(=O)CSc3ccccc32)cc1 6788973 JSFQPZDSFMQEHB-UHFFFAOYSA-N 356.447 3.553 0 40 FHAB CN(C(=O)COC(=O)/C=C/c1ccc(F)cc1)[C@@H]1CCCc2ccccc21 8515025 HNXYOYPCPFMJKM-RDPWEWGOSA-N 367.420 3.918 0 40 FHAB CCN1CCN(c2ccc(NC(=O)/C=C/c3ccco3)cc2Cl)CC1 1854284 QSULJURGFIOCCG-SOFGYWHQSA-N 359.857 3.727 0 40 FHAB CCOc1cccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1 1907096 KULWRSRRYKXMST-UHFFFAOYSA-N 356.809 3.517 0 40 FHAB CC(=O)Nc1ccc(OC[C@@H](O)COc2ccc3ccccc3c2)cc1 27211882 HAUKZISOELGSDG-LJQANCHMSA-N 351.402 3.617 0 40 FHAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)c1ccccc1F 22906935 YDJIPWZFWRVFFS-FQEVSTJZSA-N 364.420 3.948 0 40 FHAB CC(C)Oc1ccc(C(=O)N(C)Cc2nc(-c3cccs3)no2)cc1 28189067 NNMRQMVXNASEFJ-UHFFFAOYSA-N 357.435 3.858 0 40 FHAB CC(C)Cc1ccc([C@H](C)NC(=O)c2cccc(S(C)(=O)=O)c2)cc1 12786142 QIZPJICKNHRBJF-HNNXBMFYSA-N 359.491 3.780 0 40 FHAB COc1ccc(OCc2nn3c(-c4cccc(F)c4)nnc3s2)cc1 10311616 CQBFDWUZQYVDSG-UHFFFAOYSA-N 356.382 3.580 0 40 FHAB CCn1cnnc1-c1cccc(NC(=O)NCCO[C@H]2CCCC[C@H]2C)c1 58310847 JVQMKKQCJYNRMC-QAPCUYQASA-N 371.485 3.682 0 40 FHAB Cc1cc(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c(C)o1 3317862 VCAXNZDAXRGLBM-UHFFFAOYSA-N 363.413 3.959 0 40 FHAB CCOc1ccc(NC(=O)[C@H](NC(=O)c2ccccc2)[C@@H](C)CC)cc1 3350619 TVIDKOCBLIMSHU-HNAYVOBHSA-N 354.450 3.869 0 40 FHAB Cc1ccc(C(=O)COC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c(C)c1 3364972 MQSJBSJJHYOPIR-LJQANCHMSA-N 368.429 3.901 0 40 FHAB CC(C)CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccn1 2380033 BDRVQEMFJKLJAO-CLOONOSVSA-N 362.410 3.805 0 40 FHAB O=C(NC1CCCCCC1)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 3362666 OLXPGYDBHRHNGR-LJQANCHMSA-N 366.461 3.686 0 40 FHAB C[C@H]1C[C@H](C)CN(CCCCNC(=O)Nc2ccccc2-n2cccn2)C1 48314889 AIBWXVXKRGBGCT-ROUUACIJSA-N 369.513 3.752 0 40 FHAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2C[C@H](C)O[C@H](C)C2)o1 28654362 WVCRCVQXAPZUHP-IYBDPMFKSA-N 365.433 3.690 0 40 FHAB Cc1ccc(CC(=O)N[C@@H](c2ccccn2)[C@H]2CC[C@H](CN)CC2)cc1 100749985 GIUFFZPTHDNBES-XQBPLPMBSA-N 351.494 3.555 0 40 FHAB O=C1N/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1Cc1ccc(Cl)cc1 27551299 WOJIYIIPUMNEBY-ZSOIEALJSA-N 363.200 3.792 0 40 FHAB CC(C)(C)OC(=O)N[C@H](Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)O 2583337 RUQLVQSODALTBB-QGZVFWFLSA-N 373.405 3.705 0 40 FHAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(C)Cc1c(F)cccc1Cl 3457329 HBFXHZJBWGYLTD-LLVKDONJSA-N 364.804 3.667 0 40 FHAB CCOc1ccc(NC(=O)CSc2nnc(-c3cccs3)o2)cc1 3475186 KTGKOYARTDLUMH-UHFFFAOYSA-N 361.448 3.928 0 40 FHAB CCOc1cccc2cc(C(=O)Nc3nc4c(s3)CN(C)CC4)oc12 20886096 SUBIPTJBPWMMMF-UHFFFAOYSA-N 357.435 3.528 0 40 FHAB CCC(=O)Nc1cccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c1 13619515 XNQXCBGXOWDKTG-LJQANCHMSA-N 368.433 3.845 0 40 FHAB C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)N1c2ccccc2C[C@H]1C 6035417 GYNVQZSFBBAOHH-VXGBXAGGSA-N 370.503 3.992 0 40 FHAB COc1ccccc1[C@H](NC(=O)Nc1ccc(Cl)cc1)c1nccn1C 9318350 HZFMYFXHEQZHHS-KRWDZBQOSA-N 370.840 3.993 0 40 FHAB O=C(Nc1ccccc1OCc1cscn1)[C@H]1Cc2ccccc2O1 65474935 BGIUTUABXFWFQA-GOSISDBHSA-N 352.415 3.664 0 40 FHAB C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1cc(Cl)nc(Cl)c1 65566568 OYYZSKOZOUTPER-MFKMUULPSA-N 350.249 3.756 0 40 FHAB Cc1cc(C(=O)CSc2nc(C(C)C)n[nH]2)c(C)n1CC(F)(F)F 14162254 PSZJXNGXCDHORH-UHFFFAOYSA-N 360.405 3.884 0 40 FHAB CC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1 14115485 PCDQQBAYYMBUEF-CQSZACIVSA-N 365.385 3.710 0 40 FHAB COc1cccc(Cl)c1CN1CCn2c(nnc2-c2ccccc2)C1 93842646 GMQYKULCMSOGJH-UHFFFAOYSA-N 354.841 3.623 0 40 FHAB COc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1OC 14796976 KSIVDXSIGDCETH-UHFFFAOYSA-N 351.406 3.759 0 40 FHAB Cc1cccc(-n2cccc2/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c1 409223296 YTHSLHZZFTZUDQ-XSFVSMFZSA-N 357.413 3.879 0 40 FHAB Cc1nc(S[C@H](C)C(=O)NC(=O)NC(C)(C)C)n(C2CCCC2)c1C 7178880 MAKYUNJRRQXMRL-CYBMUJFWSA-N 366.531 3.720 0 40 FHAB COCc1cccc(NC(=O)c2cccc(I)c2)c1 25334878 APFBIFKYSGZOSS-UHFFFAOYSA-N 367.186 3.690 0 40 FHAB CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)NCc2ccccc2)CC1=O 7608848 PFQOIZRTUDJBQY-WMZOPIPTSA-N 350.462 3.869 0 40 FHAB Cc1nnc(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)n1C1CC1 7617813 KKTKONUOUJULGV-GFCCVEGCSA-N 374.535 3.931 0 40 FHAB CC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1 7708691 TZDMSNFSUYFYJC-UHFFFAOYSA-N 359.234 3.579 0 40 FHAB Cc1cccc(OCC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c1 8124447 CMLDRIHCNFBPTQ-NRFANRHFSA-N 355.434 3.659 0 40 FHAB Cc1oc(-c2ccco2)nc1CC(=O)N1Cc2ccccc2N(C)C[C@H]1C 81612773 BZRAQDIIYCTGPF-CQSZACIVSA-N 365.433 3.653 0 40 FHAB COc1ccc(NC(=O)c2ccc(N3CCCCCC3)nc2)cc1OC 71802055 MANFDOHJPYPLGB-UHFFFAOYSA-N 355.438 3.732 0 40 FHAB CCOC(=O)c1s/c(=N\C(=O)c2ccccc2)n(-c2ccccc2)c1C 26441896 GABZGJVQWRQJME-MRCUWXFGSA-N 366.442 3.765 0 40 FHAB Cc1ccc(CN2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)s1 97032700 CIVQPJAKYSZDHM-MRXNPFEDSA-N 368.506 3.985 0 40 FHAB CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]1c1ccc(F)cc1 84200254 CPYWPUCBPCIDPW-IXDOHACOSA-N 362.445 3.587 0 40 FHAB Cc1cccc(C)c1OC1CCN(C(=O)Nn2cnc3ccccc32)CC1 84225210 OGYLTQKUBPKFLA-UHFFFAOYSA-N 364.449 3.860 0 40 FHAB CC(C)(C(=O)OCc1ncc(-c2ccccc2)o1)[C@@H](O)c1cccc(O)c1 89621111 ARGHQAIPHVPCCF-IBGZPJMESA-N 367.401 3.850 0 40 FHAB CCOC(=O)c1cc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)c[nH]1 75258570 RHCOYHBKHYJIDF-UHFFFAOYSA-N 360.369 3.655 0 40 FHAB CC1=C(C(=O)OC(C)C)C(c2ccc(O)cc2)C(C(=O)OC(C)C)=C(C)N1 35183255 KJWHFSCAOODUQD-UHFFFAOYSA-N 373.449 3.530 0 40 FHAB COc1cc(C2(C(=O)N[C@H]3CCCc4nn(C)cc43)CCCC2)ccc1C 549090617 VCAGJVSYXOKCMI-SFHVURJKSA-N 367.493 3.743 0 40 FHAB CCC(=O)NC(=S)Nc1cc2nn(-c3ccc(CC)cc3)nc2cc1C 408624118 BCMAOXCUFAVVOB-UHFFFAOYSA-N 367.478 3.514 0 40 FHAB c1ccc([C@]2(N3CCOCC3)C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)cc1 31960025 GACFZQUGMQKXMO-ISJGIBHGSA-N 369.488 3.640 0 40 FHAB COc1ccc(CN(C)C(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 30946128 ZNIWWLJFSFKPMR-IBGZPJMESA-N 370.468 3.705 0 40 FHAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2OC)c(C)c1 219497753 OSDLZRMCYGLDLQ-AWEZNQCLSA-N 357.406 3.586 0 40 FHAB O=C(c1ncoc1C1CC1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 563806078 SQLMELFLJNQWKV-UHFFFAOYSA-N 350.422 3.523 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cnc(N(C)C)cc2C)cc1 72218719 WLKFFBGKLRBCCJ-IBGZPJMESA-N 373.522 3.680 0 40 FHAB CC[C@H](Oc1ccccc1OC)C(=O)NCCOc1ccc(Cl)cc1 224612442 OGLAVNGRJOCIRT-INIZCTEOSA-N 363.841 3.701 0 40 FHAB CCCCOCCOC(=O)COc1nc(Cl)cc(Cl)c1Cl 87492895 IMTJIJSBFIPGRM-UHFFFAOYSA-N 356.633 3.781 0 40 FHAB CCC[C@@H](C)NC(=O)c1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1 224361024 YMKOTRNWVDCRJE-MRXNPFEDSA-N 374.506 3.820 0 40 FHAB O=[N+]([O-])c1ccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cn3)o2)cc1 43984045 RUEYRIWETVLLDT-VCHYOVAHSA-N 353.294 3.604 0 40 FHAB CCOc1ccccc1NC(=S)N[C@H](C)COc1ccc(OC)cc1 225264685 VYAQCUCSCIKILS-CQSZACIVSA-N 360.479 3.848 0 40 FHAB Cc1ccc(CNC(=S)Nc2ccc(N3C[C@@H](C)C[C@@H](C)C3)nc2)o1 223906960 NENBNEUFADGVBI-OKILXGFUSA-N 358.511 3.952 0 40 FHAB Cc1ccc(-c2nnc(NS(=O)(=O)Cc3ccc(F)cc3)s2)cc1 224154497 LSEAAJUZBVCFPC-UHFFFAOYSA-N 363.439 3.595 0 40 FHAB CCN(c1ccc2sc(C(N)=O)cc2c1)S(=O)(=O)c1ccc(C)cc1 46059029 WEDQTGHSXBIRLB-UHFFFAOYSA-N 374.487 3.524 0 40 FHAB C[C@@H]1C[C@@H](C)CN(CCNC(=O)c2cc(Br)ccc2Cl)C1 225073947 MXLBEOPANJWELN-VXGBXAGGSA-N 373.722 3.810 0 40 FHAB COc1cccc(NC(=O)CNc2ccccc2OCC(F)(F)F)c1 40039044 XKXIWWANTJPEOV-UHFFFAOYSA-N 354.328 3.687 0 40 FHAB O=S(=O)(Cc1c(Cl)cccc1Cl)NCCOCc1ccccc1 224214128 BGQBEQYZERKDMJ-UHFFFAOYSA-N 374.289 3.630 0 40 FHAB O=C(Nc1ccccc1C(=O)NC1CC1)c1cc(-c2ccccc2F)on1 40087706 LNOBWZSPIHYTIS-UHFFFAOYSA-N 365.364 3.625 0 40 FHAB CCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223311623 CBLNDEPLLJQKCJ-RXVVDRJESA-N 366.505 3.951 0 40 FHAB O=c1c2cc(-c3ccc(F)cc3)nn2ccn1Cc1cc(F)cc(F)c1 98212935 JQGYLANTTDSPLU-UHFFFAOYSA-N 355.319 3.629 0 40 FHAB Cc1cc(Cl)cc2c1OCCC[C@H]2NC1CCN(c2ncccn2)CC1 585081518 UKMJJWKGWJKVEU-GOSISDBHSA-N 372.900 3.911 0 40 FHAB CN(C)c1cccc(C(=O)NC[C@@H](O)c2ccc(-c3cccs3)o2)c1 1775967961 HBRAPPLCWJKFKF-OAHLLOKOSA-N 356.447 3.538 0 40 FHAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCc3sccc3[C@H]2CC)c1 1290848016 NQJPIIIRJNWLET-OAHLLOKOSA-N 356.447 3.728 0 40 FHAB COCCn1c(C)cc(C(=O)CSc2nc(-c3ccccc3)n[nH]2)c1C 5209598 IGYMLUFCQZOPFW-UHFFFAOYSA-N 370.478 3.511 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 5636673 PDOQXGKDCQVTIF-UHFFFAOYSA-N 372.446 3.716 0 40 FHAB O=C(COc1ccc2ccccc2c1)NCCc1cnn(-c2ccccc2)c1 11147404 XLYSTVJXTQNMIT-UHFFFAOYSA-N 371.440 3.763 0 40 FHAB COc1cc(CNc2n[nH]c3nc(C)cc(C(F)(F)F)c23)cc(OC)c1 12115912 CZUPFAJKDDNHBB-UHFFFAOYSA-N 366.343 3.914 0 40 FHAB COc1ccc(-c2nc(NC(=O)[C@]3(C)CCCO3)sc2C)cc1F 12191873 RVGFFIJJRRFDOB-KRWDZBQOSA-N 350.415 3.774 0 40 FHAB Cc1ccc(-c2cnc(NC(=O)CCc3nc(C(C)C)no3)n2C)cc1C 19663694 OOHMCHNPBIJWHA-UHFFFAOYSA-N 367.453 3.782 0 40 FHAB COc1ccccc1OCc1nnc(SCc2ccc(C(=O)O)cc2)o1 19928409 SAARSQKDOCLYKG-UHFFFAOYSA-N 372.402 3.648 0 40 FHAB S=C(Nc1cccnc1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 208213739 YNNDBOMTKAJCIE-ONCXSQPRSA-N 368.550 3.673 0 40 FHAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)NCc1cccs1 4966487 QHQOFUHRRNJTSD-UHFFFAOYSA-N 371.531 3.854 0 40 FHAB O=C(C1CCCCC1)N1CCO[C@@H](c2cccc(Nc3nccs3)n2)C1 643550886 RVMHOFRFQMMVGX-MRXNPFEDSA-N 372.494 3.762 0 40 FHAB O=C(CCc1nc(O)c2ccccc2n1)N1CCC[C@@H]1CC1CCCC1 655365753 KSVZFBTTWOBVJB-MRXNPFEDSA-N 353.466 3.839 0 40 FHAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cc(F)c(F)cc2Cl)[C@@H]1C 4847086 IVCNLWXIPVWAFA-FCHSOHFDSA-N 359.800 3.716 0 40 FHAB COc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1 6054460 AQKJRJWMTCDZBL-FCEHDVOZSA-N 365.429 3.618 0 40 FHAB C[C@@H](c1nc(=O)c2ccccc2[nH]1)N1CCC(C(=O)c2ccccc2)CC1 14110450 UGPNIHJTMPAAGK-HNNXBMFYSA-N 361.445 3.579 0 40 FHAB O=C1N(c2ccccc2)CCCC[C@@]12CN(CCc1ccccc1)CCO2 2037981119 VVYRFPVKDUSJMV-HSZRJFAPSA-N 364.489 3.517 0 40 FHAB Cc1ccnc(N2CCC[C@@]3(CCCN(C(=O)c4sccc4F)C3)C2)n1 2056223716 BPUXEMGTXCAYOS-LJQANCHMSA-N 374.485 3.508 0 40 FHAB CCOc1ccc(CC(=O)Nc2nc3c(OC)ccc(OC)c3s2)cc1 7614953 KUDLPQHYZRXSRK-UHFFFAOYSA-N 372.446 3.893 0 40 FHAB CC(C)CNC(=O)C[C@@H]1CC2(CCN(C(C)C)CC2)Oc2ccccc21 2055738740 NNVVUFQCIRMULZ-GOSISDBHSA-N 358.526 3.958 0 40 FHAB COc1cccc(S(=O)(=O)N2CCS[C@H](c3ccccc3)CC2)c1 208044162 VOZSSBNYDLJATE-SFHVURJKSA-N 363.504 3.564 0 40 FHAB O=C(NC[C@H](c1ccsc1)N1CCC1)c1cc(-c2ccccc2)on1 225593843 WVZCDNUESSHTIC-QGZVFWFLSA-N 353.447 3.580 0 40 FHAB Brc1cccc([C@H]2C[C@H](c3ccccc3)n3nnnc3N2)c1 13123721 BIFUUINQYFIGMS-HUUCEWRRSA-N 356.227 3.582 0 40 FHAB O=C(NCc1cccnc1)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 22225678 BYRXPTRHUPVEDD-UHFFFAOYSA-N 364.424 3.605 0 40 FHAB CCn1nnc2cc(C(=O)Nc3cc(C)nn3-c3ccc(C)cc3)ccc21 40023541 FATCJNFHAFEJBF-UHFFFAOYSA-N 360.421 3.506 0 40 FHAB COc1ccc(C2=CCN(C(=O)[C@H]3Cc4cc(Cl)ccc4O3)CC2)cc1 40122422 MPONMGDXTHRZCP-HXUWFJFHSA-N 369.848 3.968 0 40 FHAB COc1cc(CNC(=O)C2CCCCC2)ccc1OCc1ccncc1 40121662 UGGWISIRGRKSRK-UHFFFAOYSA-N 354.450 3.866 0 40 FHAB Cc1ccc(C[C@H]2CC(=O)N([C@@H](C)c3ccc(-n4ccnc4)cc3)C2=O)cc1 100188271 XBSWHCIBLCFYRB-PXNSSMCTSA-N 373.456 3.860 0 40 FHAB C[C@H]1CN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C[C@H](C)O1 20572407 UXRFYEJEGFGHJL-IUCAKERBSA-N 351.661 3.695 0 40 FHAB O=C(Nc1ccc2c([C@H](C(=O)O)N3CCCC3)c[nH]c2c1)c1ccccc1 32088091 QYNKSXUBAAMIFM-LJQANCHMSA-N 363.417 3.642 0 40 FHAB O=C1N(CC2CCCCC2)c2ccccc2[C@]12CC(O)=Nc1[nH]ncc12 20736587 ACAUDVNEMOKOTL-FQEVSTJZSA-N 350.422 3.614 0 40 FHAB C[C@H](O)CNCc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 32739822 CEWPYKVGVHOPST-HNNXBMFYSA-N 355.869 3.722 0 40 FHAB COC(=O)c1cc(NCc2c(F)cccc2Cl)cc(C(=O)OC)c1 32819335 AYCIRFBWNWGESW-UHFFFAOYSA-N 351.761 3.664 0 40 FHAB Cc1cc(C)nc(SCC(=O)N2CCCCC[C@H]2c2cccn2C)n1 32905048 ZRDWPWYWBYGSMF-KRWDZBQOSA-N 358.511 3.668 0 40 FHAB O=C(Nc1ccccc1Br)c1cncc(Br)c1 682912 QVZDEFXPERBWNS-UHFFFAOYSA-N 356.017 3.859 0 40 FHAB COc1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)c(OC)c1OC 854776 HJXXTWMXJBKMBS-UVTDQMKNSA-N 373.792 3.710 0 40 FHAB COc1cccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)c1 903563 JTXHZKPRECVSRG-UHFFFAOYSA-N 368.462 3.530 0 40 FHAB C[C@@H](NC(=O)CSc1nnc(COc2ccccc2)o1)c1ccccc1 2399732 IFUPPCSKMCCMAT-CQSZACIVSA-N 369.446 3.618 0 40 FHAB Cc1cccc(N2C[C@](O)(c3ccc(OC(F)F)cc3)[N+]3=C2CCCC3)c1 2966470 PROPKMANOPGBSD-NRFANRHFSA-N 373.423 3.857 0 40 FHAB C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)n1cc(C(F)(F)F)ccc1=O 3363013 YVRNIAKDFSZULI-MLGOLLRUSA-N 364.367 3.622 0 40 FHAB Cc1ccccc1NC(=O)COC(=O)/C=C/c1ccc(Br)o1 3399491 HOLYQQBEZGYTBG-VQHVLOKHSA-N 364.195 3.546 0 40 FHAB CCc1cccc(CC)c1NC(=O)COC(=O)Cc1ccc(OC)cc1 3436518 FFFFMWPHCQDTIK-UHFFFAOYSA-N 355.434 3.544 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(-c2cn3cccnc3n2)c1 4033036 WALLFISGVSBAQH-OAHLLOKOSA-N 358.401 3.802 0 40 FHAB COC(=O)c1sc2ccccc2c1NC(=O)c1c(OC)cccc1OC 4176833 FFEUMMJPWTWVLB-UHFFFAOYSA-N 371.414 3.957 0 40 FHAB CCC1=NN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@](O)(C(F)(F)F)C1 4200081 CEQDSTPOSKHLPH-QGZVFWFLSA-N 372.387 3.612 0 40 FHAB CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(C(=O)O)cc2)c1 4663656 IWCCLFNWEDBSTP-UHFFFAOYSA-N 372.446 3.691 0 40 FHAB Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccccc3O)cc2C1=O 4680185 IVFYWCFHOOITEY-UHFFFAOYSA-N 372.380 3.754 0 40 FHAB O=c1c2ccccc2nc(/C=C/c2ccc(O)cc2)n1-c1ccccc1O 4828687 IMXQUFPGBUCBBA-SDNWHVSQSA-N 356.381 3.967 0 40 FHAB Cc1ccc([C@@H](OC(=O)c2ccco2)C(=O)NCCc2ccccc2)cc1 4900579 RENAFYOHZXINJZ-HXUWFJFHSA-N 363.413 3.845 0 40 FHAB O=C1CCCC(=O)C12Cc1ccc(Br)cc1N1CCCC[C@@H]12 4914349 YPHRPAVGYDPJCA-OAHLLOKOSA-N 362.267 3.673 0 40 FHAB COc1ccc(NC(=O)CN2CCC(C(=O)c3ccc(C)cc3)CC2)cc1 4966671 RMJWPPXTBVYPGO-UHFFFAOYSA-N 366.461 3.537 0 40 FHAB CC(C)c1ccc(NC(=O)c2cccn(OCc3ccccc3)c2=O)cc1 5054728 GRQRWKZNMUBDLD-UHFFFAOYSA-N 362.429 3.853 0 40 FHAB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2Cl)c(O)c1 5226046 NWADADWPTGBAFF-SNVBAGLBSA-N 351.761 3.677 0 40 FHAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H](C)c2ccncc2)cc1 5227075 POROCCNNDOZGON-AWEZNQCLSA-N 365.433 3.685 0 40 FHAB O=C(CCc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 5395053 KKQVQKVEKRUXKG-UHFFFAOYSA-N 362.395 3.987 0 40 FHAB COCc1cc(C)nc2sc(C(=O)N[C@@H](C)c3ccccc3)c(N)c12 5739776 XWEOXSNCSORFTA-LBPRGKRZSA-N 355.463 3.824 0 40 FHAB Cc1cccc(-n2nnnc2SCC(=O)C23CC4CC(CC(C4)C2)C3)c1 6083217 PNDIGWGVSNOWPC-UHFFFAOYSA-N 368.506 3.848 0 40 FHAB Cc1nnc2n(C3CCCCC3)c(=O)c3c4c(sc3n12)COC(C)(C)C4 6499075 HVUWKEZJAGLYTC-UHFFFAOYSA-N 372.494 3.771 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nc(-c2ccccc2)n[nH]1 6649604 QCDYMMKXHWONCU-ZDUSSCGKSA-N 350.447 3.542 0 40 FHAB CCCN1C(=O)[C@](O)(CC(=O)c2ccc(Cl)cc2)c2cc(C)ccc21 6670072 OHASRWZTRLXFEM-FQEVSTJZSA-N 357.837 3.866 0 40 FHAB O=C(O)[C@H]1COC2(CCCCC2)N1C(=O)c1ccc(Cl)c(Cl)c1 6727672 JCKFGVABHPLGFP-CYBMUJFWSA-N 358.221 3.579 0 40 FHAB C[C@@H](CNC(=O)c1nnc(Cc2c(F)cccc2Cl)o1)c1ccccc1 6822550 LNDCKMSYYGMHNP-LBPRGKRZSA-N 373.815 3.986 0 40 FHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CC2CCCC2)ccc1C 6882314 DCVYBAGGRUGEIL-UHFFFAOYSA-N 352.500 3.544 0 40 FHAB O=C(COC(=O)Cc1ccc(Cl)c(Cl)c1)Nc1cccnc1Cl 7060128 RVVMLVGLWZFMGA-UHFFFAOYSA-N 373.623 3.766 0 40 FHAB O=C(CCc1nc(-c2ccsc2)no1)NCCc1ccc(Cl)cc1 7954758 XRUSKMQNSVNJQE-UHFFFAOYSA-N 361.854 3.743 0 40 FHAB NC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)C1 7989649 LCQLZSGWJPJPPM-JTQLQIEISA-N 367.232 3.591 0 40 FHAB Cc1nc(NCC(=O)Nc2ccc(F)c(F)c2)c2c3c(sc2n1)CCC3 8063246 XQVPEKUPQYWONN-UHFFFAOYSA-N 374.416 3.817 0 40 FHAB COc1ccc(NC(=O)CN(C)Cc2ccc3ccccc3c2)cc1OC 8127502 PXXKIZNNWNXMLZ-UHFFFAOYSA-N 364.445 3.928 0 40 FHAB C[C@@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1ccco1 8163069 HCVAPOTVPRLPPS-GFCCVEGCSA-N 352.419 3.630 0 40 FHAB CC[C@H](OC(=O)c1cc2ccccc2cc1OC)C(=O)Nc1cc(C)on1 9076978 KMXGOECXBNUYNJ-INIZCTEOSA-N 368.389 3.719 0 40 FHAB Cc1c(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)sc2ccccc12 9112515 IVHPGNASPOQNEA-UHFFFAOYSA-N 356.447 3.647 0 40 FHAB COc1ccc(NC(=O)c2cc3cc(OC)ccc3nc2C)c(OC)c1 9337605 HGXCPXLUNVJZSI-UHFFFAOYSA-N 352.390 3.821 0 40 FHAB Cc1ccc2nc(CSc3nc(-c4ccc(F)cc4)c[nH]3)cc(=O)n2c1 9337933 BXEIPCYMKJSIAF-UHFFFAOYSA-N 366.421 3.824 0 40 FHAB O=C(COc1ccc2c(c1)OC1(CCCCC1)CC2=O)Nc1cccnc1 9422147 ITBIHZHYYVHSBG-UHFFFAOYSA-N 366.417 3.767 0 40 FHAB Cc1ccc(-n2nc(C)c3c(=O)c(C(=O)Nc4cccc(C)c4)c[nH]c32)cc1 10166801 SGXRNAJMBGECAG-UHFFFAOYSA-N 372.428 3.891 0 40 FHAB CCc1ccc(NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 10328611 PZPQLSAKNZQEEQ-INIZCTEOSA-N 374.506 3.659 0 40 FHAB Cc1ccc(CS(=O)(=O)NCCCc2cccc(OC(C)C)c2)cc1 10543286 NUONSAYJUQYFMH-UHFFFAOYSA-N 361.507 3.834 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)NCCCc2nc3ccccc3s2)c1 10750844 JDIKACZFTQDZSM-UHFFFAOYSA-N 360.504 3.824 0 40 FHAB O=C(Nc1nnc(-c2ccc(Br)s2)o1)c1cccs1 11695442 IOSFQJQYSTWVBB-UHFFFAOYSA-N 356.226 3.874 0 40 FHAB Cn1nc(C2CC2)cc1C(=O)N[C@H](c1ccncc1)c1ccc(Cl)cc1 12148542 BHTBACCJQGLZKK-IBGZPJMESA-N 366.852 3.865 0 40 FHAB COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccsc1)N1CCCC1 12355723 VYLHWHGQHLJXQC-INIZCTEOSA-N 364.898 3.977 0 40 FHAB O=C(COc1ccc(Oc2ccccn2)cc1)Nc1nnc(C2CC2)s1 12521799 VCCHIMZOBDBFGS-UHFFFAOYSA-N 368.418 3.620 0 40 FHAB Cn1c(CNC(=O)c2cc(F)c(Cl)cc2Cl)nc2ccccc21 12547759 TUVDRFKOJJHHOV-UHFFFAOYSA-N 352.196 3.949 0 40 FHAB CC(C)c1noc(CSc2nnc(NCCc3ccccc3)s2)n1 12647996 MYIIHAUBEYUCHY-UHFFFAOYSA-N 361.496 3.991 0 40 FHAB O=C(O[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccc(CO)cc1 12940327 UDRNMGVFNXPTCR-HXUWFJFHSA-N 361.397 3.716 0 40 FHAB Cc1ccc(C(=O)Nc2c(C)cccc2C)cc1S(=O)(=O)N1CCCC1 13583032 IEDIICSPBOGYSP-UHFFFAOYSA-N 372.490 3.649 0 40 FHAB CCN(CC)C(=O)C(=O)c1cn(Cc2ccccc2F)c2ccccc12 14136081 ADPVAINYSQTIQS-UHFFFAOYSA-N 352.409 3.880 0 40 FHAB O=c1ccc(C(F)(F)F)cn1Cc1nc(-c2ccccc2Cl)no1 14159272 MHTNFZZTKKZEMM-UHFFFAOYSA-N 355.703 3.619 0 40 FHAB CCOc1cc(S(=O)(=O)NC2CCCCCC2)c(OCC)cc1C 16780122 CLFRGJIZBVCUSQ-UHFFFAOYSA-N 355.500 3.794 0 40 FHAB Cn1ccnc1-c1nc(N2CCSCC2)ncc1-c1ccc(Cl)cc1 19291602 RPXLDHMTOVVLHD-UHFFFAOYSA-N 371.897 3.751 0 40 FHAB CC1=C(C(=O)OC(C)C)C(c2ccccc2)C(C(=O)OC(C)C)=C(C)N1 19680809 SLUUOGRBGOLHOG-UHFFFAOYSA-N 357.450 3.825 0 40 FHAB Cc1ccc(-c2ncc(CN3CC[C@@](O)(c4ccc(C)cc4)C3)cn2)cc1 19715867 HJQMBKGHCWUHRH-QHCPKHFHSA-N 359.473 3.854 0 40 FHAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Cc1c(C)[nH]c2c(C)ccc(C)c12 19716881 HTMVANWIDSZMIE-AWEZNQCLSA-N 366.509 3.733 0 40 FHAB O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)c1ccccc1F 19819249 CIIHTHJMEGMHPQ-UHFFFAOYSA-N 361.376 3.676 0 40 FHAB COc1ccc(CN(C)C(=O)[C@H](C)Oc2cc(C)ccc2C)cc1OC 20049023 GUXIVXYZUPABLP-INIZCTEOSA-N 357.450 3.747 0 40 FHAB CN1C(=O)C[C@H](C(=O)Nc2cccc(Br)c2)[C@@H]1c1ccccc1 20427347 VNJSPWKDWNKUKR-RDJZCZTQSA-N 373.250 3.607 0 40 FHAB Cc1csc(CNC(=O)COC(c2ccccc2)c2ccccc2)n1 21482580 FMIVWDKQLRQJKH-UHFFFAOYSA-N 352.459 3.874 0 40 FHAB Cc1noc(C)c1COC(=O)[C@H](NC(=O)c1cccs1)c1ccccc1 21853071 GKXVPXXEWMSROP-QGZVFWFLSA-N 370.430 3.567 0 40 FHAB Cc1ccc(C)c(OCC(=O)NCc2ccc(CN3CCCCC3)cc2)c1 24186524 BMUQCXMBNYJYGK-UHFFFAOYSA-N 366.505 3.985 0 40 FHAB CN(Cc1ccccc1N1CCCCC1)C(=O)c1cnc2ccccc2n1 24391804 QZUDDXYLCGXNPW-UHFFFAOYSA-N 360.461 3.892 0 40 FHAB COc1ccccc1CCNC(=O)Cc1nc(-c2ccccc2)oc1C 24498844 SPBJLYPIPIFFAF-UHFFFAOYSA-N 350.418 3.560 0 40 FHAB COCc1ccccc1CNC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 26146954 GLSUTBRMXZFPNV-INIZCTEOSA-N 364.449 3.579 0 40 FHAB COc1ccc(NC(=O)c2cc(=O)c3ccc(Br)cc3o2)cc1 27793909 IKIIEHCWHFEKSU-UHFFFAOYSA-N 374.190 3.816 0 40 FHAB O=C(N[C@H]1C=CCC[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 32099079 OTYJADWWVDSUOQ-QUCCMNQESA-N 363.413 3.945 0 40 FHAB Cc1cc(C)c2c(C)c(C(=O)N3CC(=O)Nc4ccccc43)sc2n1 32865691 LENZODNPJBGMOQ-UHFFFAOYSA-N 351.431 3.820 0 40 FHAB Cc1ccc(-c2nc(CNC(=O)C34CC5CC(CC(C5)C3)C4)no2)cc1 33665803 BSHXGPNVCBIRPB-UHFFFAOYSA-N 351.450 3.878 0 40 FHAB C[C@@H](OC(=O)c1ccc(-c2ccccc2F)o1)C(=O)NCc1ccco1 39973614 BCDUSEXWLVDKOB-GFCCVEGCSA-N 357.337 3.540 0 40 FHAB CN1CCN(C(=O)c2csc(-c3ccccc3)n2)[C@H](c2ccccc2)C1 40013015 NHQUYZGUBFFKNX-IBGZPJMESA-N 363.486 3.939 0 40 FHAB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)/C(O)=N/S(C)(=O)=O 48478995 IUSOIGFCYPQFSS-NSHDSACASA-N 372.796 3.711 0 40 FHAB Cc1ncsc1C(=O)NCc1ccccc1CN1C[C@@H](C)C[C@@H](C)C1 48884312 RJZLKWCQXHSUBV-GASCZTMLSA-N 357.523 3.859 0 40 FHAB O=C(NCCCN1CCCCCC1)c1cc(F)ccc1Br 53271571 CHUGDNOMHKVIKQ-UHFFFAOYSA-N 357.267 3.584 0 40 FHAB CC(C)c1ccc(-c2noc(CCC(=O)N3CCO[C@H]4CCC[C@@H]43)n2)cc1 53382975 JKCLLZDBHDNLQW-ROUUACIJSA-N 369.465 3.573 0 40 FHAB COc1ccc(S(=O)(=O)N(C)Cc2cccc3ccccc23)cc1OC 56100765 YIDFMLAQLVSIRH-UHFFFAOYSA-N 371.458 3.678 0 40 FHAB O=C(Nc1ccccc1)c1cccc(CSCC(=O)N2CCCC2)c1 56264305 BTWJZPDAZKWETI-UHFFFAOYSA-N 354.475 3.795 0 40 FHAB CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@@H](C)c2sc(C)nc2C)c1 56487229 XFCJWWJEXJWSNE-JQWIXIFHSA-N 360.483 3.840 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c1 57412217 RVTKVYFCSIWDCR-UHFFFAOYSA-N 357.797 4.000 0 40 FHAB O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)NCc1ccc(F)cc1 57476780 IESNTSJEYNNXJX-SFHVURJKSA-N 362.404 3.662 0 40 FHAB COc1ccc(CNCc2ccc(-n3ccnc3C)c(F)c2)cc1OC 58168764 SPSRGMYKQNKBJR-UHFFFAOYSA-N 355.413 3.627 0 40 FHAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCCCCn1ccnc1 58168924 CFPWRBCAHDXREG-GFCCVEGCSA-N 356.253 3.554 0 40 FHAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCCNC(=O)C(C)(C)C 58264369 DRKVTIOSUWKGJH-CQSZACIVSA-N 355.482 3.556 0 40 FHAB CCN(CC)c1nc2sc(C(=O)O[C@H]3CCCCC3=O)cc2s1 62293914 BGIAUAGXKBVFOE-NSHDSACASA-N 352.481 3.873 0 40 FHAB CCOc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 67665300 NRDNQJUHWODZBN-LPHOPBHVSA-N 355.434 3.586 0 40 FHAB in-vitro Clc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccccn3)n2)cc1 67898537 USHJFVFPXNDYLM-SFHVURJKSA-N 354.841 3.699 0 40 FHAB biogenic,in-vitro CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CNC(=O)/C=C/c1ccco1 71844269 NKHQGSYVIBJCNX-RXKWHAPPSA-N 366.461 3.594 0 40 FHAB Cc1ccc([C@H](C)CCN2CCc3nc(-c4ccncc4)nc(O)c3C2)o1 72339830 HJGUWYQNISKYNZ-CQSZACIVSA-N 364.449 3.698 0 40 FHAB O=C(NC1CCCCC1)C1CCN(Cc2cnc(-c3cccs3)[nH]2)CC1 75109095 ZOTYBVKDVSCEHM-UHFFFAOYSA-N 372.538 3.799 0 40 FHAB O=C(NC1CCOCC1)c1cc(-c2ccc(F)cc2)nc2ccccc12 84590954 HBMSOVHGOWQPFW-UHFFFAOYSA-N 350.393 3.950 0 40 FHAB O=C(NCc1cc2ccccc2o1)Nc1cccc(N2CCOCC2)c1 84594970 YIEZITFCSISHPF-UHFFFAOYSA-N 351.406 3.591 0 40 FHAB Cc1cccc([C@@H](C)NC(=O)NCC2CCN(c3ccncc3)CC2)c1C 89218597 IVHWMZLFQBETAZ-GOSISDBHSA-N 366.509 3.975 0 40 FHAB CCC(CC)[C@H](CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1)OC 89943079 YRHYSGBSQNMNGK-KYNGSXCRSA-N 360.498 3.852 0 40 FHAB Cc1ccc(C)n1-c1c(C(=O)N2CCCc3cc(F)c(F)cc32)cnn1C 95369524 JDFORAKGYNLFDT-UHFFFAOYSA-N 370.403 3.699 0 40 FHAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2)no1 98212217 SQUOWAXDRLFDRQ-QGZVFWFLSA-N 369.371 3.921 0 40 FHAB CC(C)(C)OC(=O)N1CCC(N)(Cc2ccccc2C(F)(F)F)CC1 98213863 NUWAIWKGEXSMDS-UHFFFAOYSA-N 358.404 3.976 0 40 FHAB O=C(C[C@H]1CC[C@@H](C(=O)O)CC1)c1cccc(I)c1 100449372 WZTJTPOZAYVYAV-XYPYZODXSA-N 372.202 3.755 0 40 FHAB COc1ccc(OC)c2c1s/c(=N\C(=O)c1cccc(Cl)c1)n2C 100908603 AFDVYDQXMWWWLI-ZPHPHTNESA-N 362.838 3.652 0 40 FHAB COc1ccccc1N[C@@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O 101277113 YZDFZODTNPNXMZ-CYBMUJFWSA-N 365.216 3.746 0 40 FHAB CCC[C@@H](NC(=O)N[C@H](C)Cn1cncn1)c1ccc(Cl)c(Cl)c1 102009825 VEYWOYLXVXWKCK-IAQYHMDHSA-N 370.284 3.814 0 40 FHAB Cc1ccc(CN2CCC3(CC2)C[C@@H](Nc2ncccn2)CCO3)cc1C 108535654 BEHRMKSGQJKHDC-FQEVSTJZSA-N 366.509 3.719 0 40 FHAB NC[C@@H]1[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218645916 CCBRIIRNEXJGBX-BZUAXINKSA-N 356.274 3.508 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)COc1ccc(OC)cc1 219574133 FBGMIAGKHZYNQK-KSSFIOAISA-N 361.413 3.575 0 40 FHAB CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 223877426 SKSWOQDDUTZLOS-OALUTQOASA-N 364.474 3.786 0 40 FHAB COc1ccc(CCNC(=S)Nc2c(F)cccc2F)cc1OC 225316434 WJUOJGVYFRFFFH-UHFFFAOYSA-N 352.406 3.511 0 40 FHAB CCOc1cccc(NC(=S)NCCCN2CCc3ccccc3C2)c1 225743474 ALXYNEMVMAKWLB-UHFFFAOYSA-N 369.534 3.820 0 40 FHAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1 225821454 JIYYEFPFGNUSFK-LJQANCHMSA-N 351.443 3.794 0 40 FHAB O=C(N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1)c1cccc(Oc2ccc(F)cc2)c1 244986046 JDEVGXMCDHCZRB-LSTHTHJFSA-N 371.408 3.684 0 40 FHAB COc1cccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(C)=O)c1F 257244677 IMIQUSMFEBMOEC-NEBOSXTKSA-N 361.457 3.853 0 40 FHAB CCOCC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257294040 QSEPQYZCNTUHKD-HNNXBMFYSA-N 362.857 3.661 0 40 FHAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1 408703399 QVIDXTBPZSNUCZ-UHFFFAOYSA-N 366.870 3.687 0 40 FHAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc3ccccc23)cc1 408704283 ZVBWKGDWTMPTSE-UHFFFAOYSA-N 354.431 3.854 0 40 FHAB O=C(CN1C(=O)S/C(=C/c2ccsc2)C1=O)Nc1cccc(F)c1 409240070 OFYSMQBTVWAWBW-AWNIVKPZSA-N 362.407 3.562 0 40 FHAB O=C(C[C@@H](c1ccsc1)n1cccc1)NC[C@@H]1CCCN2CCCC[C@H]12 524731421 XGRSIXZOTWQRMI-SXLOBPIMSA-N 371.550 3.910 0 40 FHAB biogenic CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)c1ccoc1C)CC2 548680353 MWPUVTAHAYCKSN-SFHVURJKSA-N 372.490 3.693 0 40 FHAB CCN(C[C@H]1CCCN1CC)C(=O)c1ccc(F)c(COC(C)C)c1 585083115 JSAJBNQKBWTCAY-GOSISDBHSA-N 350.478 3.697 0 40 FHAB O=C(NC[C@H](c1ccco1)c1cccs1)c1ccc2nsnc2c1 585146748 KKMDKNWQQSLIDL-GFCCVEGCSA-N 355.444 3.908 0 40 FHAB CC(C)(C)[C@H]1CC[C@H](N2CCOC[C@@](O)(COc3ccccc3)C2)CC1 585284951 BDJMGZJZTDKMJL-WOIUINJBSA-N 361.526 3.734 0 40 FHAB CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)Nc1ccc2c(c1)OCCCO2 1565519786 HJDSWBMHHQTXSX-WMZOPIPTSA-N 373.497 3.576 0 40 FHAB biogenic Brc1cnccc1O[C@@H]1CCN(c2nc3ccccc3o2)C1 1775974891 VTHYHDFFOPALEN-LLVKDONJSA-N 360.211 3.643 0 40 FHAB CCc1cnc(OC2CCN(c3cccc(C(F)(F)F)n3)CC2)nc1 1776008715 NKYACPLTFUGDNE-UHFFFAOYSA-N 352.360 3.501 0 40 FHAB Cc1cnn(CC2CN(c3nc(C)nc4sc5c(c34)CCCC5)C2)c1 1889151996 BHXDSHFVGBJXFS-UHFFFAOYSA-N 353.495 3.520 0 40 FHAB CC(C)NC(=O)Nc1cccc(C(=O)N(C)CCN(C)C2CCCCC2)c1 47675776 SRVDFQWGHKJYGQ-UHFFFAOYSA-N 374.529 3.553 0 40 FHAB Cc1cc2ccccc2n1CC(=O)Nc1cccc(CN2CCCC2=O)c1 23149508 IMAIKABJQBBKTG-UHFFFAOYSA-N 361.445 3.711 0 40 FHAB Cc1ccc(-c2csc3ncn(Cc4nc(C(C)C)no4)c(=O)c23)cc1 12552883 YRECSOCFTWIQMD-UHFFFAOYSA-N 366.446 3.988 0 40 FHAB O=C(Nc1cccc(C2SCCCS2)c1)NC1CCC(O)CC1 78413762 ZHUHIZWIDAWABK-UHFFFAOYSA-N 352.525 3.980 0 40 FHAB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)CSc1ccc(O)cc1 78597226 YMMYDJVJPJHFSA-MRXNPFEDSA-N 359.495 3.630 0 40 FHAB FC(F)(F)c1c(-c2nnnn2-c2ccccc2)cnn1-c1ccccc1 1041281 HEELYLQIVNPCPB-UHFFFAOYSA-N 356.311 3.534 0 40 FHAB CCCOC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc12 2400823 KBFSIHKBINKZLE-UHFFFAOYSA-N 374.444 3.976 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)N1CCCCC1 2641648 IYUTYYBPOSSYHP-SNVBAGLBSA-N 361.294 3.648 0 40 FHAB C[C@H](CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 42646019 VMEWKISLYICEFR-LLVKDONJSA-N 351.233 3.852 0 40 FHAB COc1ccc(NC(=O)N2CCC[C@H](C(=O)NCC3CCCCC3)C2)cc1 4965712 FRVSMLHEMZEPOK-KRWDZBQOSA-N 373.497 3.636 0 40 FHAB Cc1cc(=O)oc2cc(OCC(=O)Nc3cccc(F)c3)c(Cl)cc12 6365481 QIBNPIDGCSEMDC-UHFFFAOYSA-N 361.756 3.911 0 40 FHAB C[C@@H](OC(=O)c1ccc(Cl)cc1O)C(=O)NC[C@H](C)c1ccccc1 7199474 CLJYPJFVHUJQBL-QWHCGFSZSA-N 361.825 3.511 0 40 FHAB Cc1ccc(C)c(OCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 7724549 DOTHIGDPUHDXHI-UHFFFAOYSA-N 372.896 3.993 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)NCc2ccc(CN3CCCC3)cc2)c1 7923796 VHJMNZFCLAMXRT-GOSISDBHSA-N 352.478 3.675 0 40 FHAB COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)cc1 1293481 BCUBXOZIRJFLPJ-IBGZPJMESA-N 365.433 3.579 0 40 FHAB CC(C)c1nnc(NC(=O)COc2ccc(Cl)c3cccnc23)s1 43269513 YIVWCIIDZLVHBQ-UHFFFAOYSA-N 362.842 3.881 0 40 FHAB Cc1ccc(-c2nnc(CCC(=O)NCc3ccc(F)c(C)c3)o2)cc1 24983608 GACSMRAWZIUAPO-UHFFFAOYSA-N 353.397 3.742 0 40 FHAB CS(=O)(=O)c1ccc(NC(=O)Cc2c(Cl)cccc2Cl)cc1 8488307 CIBJDZJXEMXOBU-UHFFFAOYSA-N 358.246 3.578 0 40 FHAB COc1cc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc(OC)c1OC 25534296 WBYVKBRNHBGCMD-MRXNPFEDSA-N 359.397 3.829 0 40 FHAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1 1506039 HTKOFDSGMSFEMG-UHFFFAOYSA-N 372.490 3.730 0 40 FHAB CC(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 25785858 PTPFZDNLMPTJQB-LBPRGKRZSA-N 358.781 3.920 0 40 FHAB Cc1cc(C)c(NC(=O)Cn2c(-c3ccccc3)nc(C)cc2=O)c(C)c1 57526399 CXHQHNUMYYLZIX-UHFFFAOYSA-N 361.445 3.783 0 40 FHAB C[C@@]12CC3CC(C(=O)NCCc4nnc(S)n4C4CC4)(C1)C[C@](C)(C3)C2 109059145 SOCYVLCOFPREIL-GOSFSIBNSA-N 374.554 3.557 0 40 FHAB CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2ccccc2C)cc1OC 20485895 SDLJMYAVHRRLDW-QGZVFWFLSA-N 371.477 3.919 0 40 FHAB Cc1noc2nc(-c3cccs3)cc(C(=O)NCCCOC(C)C)c12 12774625 JRRQDCHHKMTOLT-UHFFFAOYSA-N 359.451 3.805 0 40 FHAB COc1ccc([C@@H](NC(=O)NCc2cn3ccc(C)cc3n2)C(C)C)cc1 58218794 AHRCVNYBGMYEMX-FQEVSTJZSA-N 366.465 3.848 0 40 FHAB CNC(=O)c1cccc(CN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c1 95959499 GFXZMWIHBCVEHL-UHFFFAOYSA-N 363.436 3.956 0 40 FHAB COC[C@H](C)NC(=O)c1ccc(-c2cccc(Br)c2)nc1C 58392134 ZZPAVYFPCHPRRT-NSHDSACASA-N 363.255 3.584 0 40 FHAB CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(/C=C/C(=O)O)cs1 3394979 XMCXTGRBAIZQCC-AATRIKPKSA-N 356.325 3.944 0 40 FHAB CCN1CCC[C@H]1CNC(=O)C[C@H](Cn1cccc1)c1ccc(Cl)cc1 108246196 UHJPXULDELKMGQ-QUCCMNQESA-N 373.928 3.916 0 40 FHAB CCCCc1nc2sc3c(NC[C@H](C)O)ncnc3c2c2c1CCC2 2378511 RRANQHVWEOXQEC-NSHDSACASA-N 356.495 3.864 0 40 FHAB CC(C)CN1CCC(NC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)CC1 45463332 FJJCEYFNLMHIEY-AWEZNQCLSA-N 369.456 3.769 0 40 FHAB CC[C@@]1(C)Cc2c(sc3nc(SCCCC(C)=O)nc(N)c23)CO1 2418810 OTDCLHKOLCHFQZ-KRWDZBQOSA-N 365.524 3.976 0 40 FHAB CCn1cc(C(=O)N[C@@H](C)c2ccc(OC)cc2)c(=O)c2ccccc21 22234537 RFAAVEIJXPCUQU-AWEZNQCLSA-N 350.418 3.521 0 40 FHAB Cc1cccc(C(=O)N[C@H](C(=O)N(C)Cc2ccc(F)cc2)C(C)C)c1 36768089 OTLZWXCCAAGVIC-IBGZPJMESA-N 356.441 3.547 0 40 FHAB CC(C)CNC(=S)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1 100424771 FJYVVHJBMJBGOO-RTBURBONSA-N 363.546 3.831 0 40 FHAB Cc1cccc(Cc2cnc(NC(=O)Cc3cn4ccsc4n3)s2)c1 11582837 ACDIZSXYZMUKBF-UHFFFAOYSA-N 368.487 3.933 0 40 FHAB CC(C)Oc1ccc(Cl)cc1C(=O)NC[C@@]1(O)CCc2ccccc21 84621990 HBEUPBMAIHAKFT-FQEVSTJZSA-N 359.853 3.691 0 40 FHAB CCOc1ccc(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C)cc1 2638859 BIUHMUNGSMMCEJ-UHFFFAOYSA-N 371.437 3.995 0 40 FHAB COc1cc(C(=O)O)cc(NC(=O)[C@H]2C[C@@H]2c2ccc(C)s2)c1OC 95424830 HQGNOERYWIIAIP-RYUDHWBXSA-N 361.419 3.514 0 40 FHAB O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(Br)o1 27604456 BLAKJTVVWPWXRO-NSHDSACASA-N 369.284 3.671 0 40 FHAB COc1ccc(-c2nnc(SCc3nc4ccccc4s3)n2N)cc1 3405885 NJTUOQNQGRMYQQ-UHFFFAOYSA-N 369.475 3.570 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)NCCC3=CCCCC3)o2)cc1 3610388 KIKOAGORSJNWJC-UHFFFAOYSA-N 373.478 3.844 0 40 FHAB C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)Nc1ccccc1 14017412 IAPHODFGXRMQIS-ZDUSSCGKSA-N 365.462 3.794 0 40 FHAB Cc1c(Cl)cccc1NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O 5399612 LOWOZSOJZCJSSY-UHFFFAOYSA-N 371.799 3.650 0 40 FHAB O=C(NC1CC1)c1ccc(/C=C/C(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)cc1 65821406 JSNJOGLJXNYZQM-IBAGJYMESA-N 364.489 3.629 0 40 FHAB CN(C)c1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1 5711178 UQPKYVGOZNPLSW-UHFFFAOYSA-N 367.232 3.855 0 40 FHAB CC1=NN(C(=O)COc2cc(C)ccc2C(C)C)[C@@](O)(c2ccccc2)C1 4860558 PRWSDRIEWKEIHJ-QFIPXVFZSA-N 366.461 3.951 0 40 FHAB CCN(C(=O)CSc1nnc(-c2ccoc2C)n1C)C1CCCCC1 7236693 JTJGYHKKJZATRB-UHFFFAOYSA-N 362.499 3.657 0 40 FHAB CC1(C)CC(=O)c2ccc(OCC(=O)Nc3ccc4[nH]ccc4c3)cc2O1 9531478 ITOZVCDFZOPTNO-UHFFFAOYSA-N 364.401 3.929 0 40 FHAB Cc1cccc(OCC(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1C 7723933 MMUNVYGSPMYMAM-UHFFFAOYSA-N 374.868 3.811 0 40 FHAB CCCN1C(=O)c2ccccc2N[C@H]1c1cc(OC)c(OC)cc1OC 7886364 BYQVNISDIWDESC-LJQANCHMSA-N 356.422 3.689 0 40 FHAB O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(F)c(F)c1 7927213 WYYWWIBHCFSNMM-AWEZNQCLSA-N 366.433 3.646 0 40 FHAB Cc1ccc(S(=O)(=O)CCC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 8238407 ZOJBQRRAXAIYNO-OAHLLOKOSA-N 371.458 3.782 0 40 FHAB Cc1cc(-n2c(C)cc(C3=NN=C(NC4CCCC4)SC3)c2C)no1 8316489 ILYRFTHXEGFBBL-UHFFFAOYSA-N 357.483 3.730 0 40 FHAB Cc1ccc(-c2ccsc2C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 8312683 PEJANZATBTWTBO-UHFFFAOYSA-N 361.430 3.952 0 40 FHAB CCSc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)o1 8479333 KZIRKVNEYBDVNP-UHFFFAOYSA-N 364.430 3.607 0 40 FHAB O=C(CSc1nc2ccccc2s1)c1c[nH]c(C(=O)N2CCCC2)c1 8526611 NVCGDLFTEUSBLF-UHFFFAOYSA-N 371.487 3.835 0 40 FHAB Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@H](C)n2cncn2)c(C)c1 97002284 YKOGNWYMQYAFII-HNNXBMFYSA-N 366.469 3.578 0 40 FHAB CCC(CC)c1cc(C(=O)N(C)CC(=O)Nc2c(C)cccc2C)on1 72295252 QOMMEZZCGMKGBM-UHFFFAOYSA-N 357.454 3.906 0 40 FHAB O=C(NO[C@H]1CCCCO1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 84335377 YDZKGXTVSNNZIF-NSHDSACASA-N 357.250 3.912 0 40 FHAB COC[C@@](C)(NC(=O)Nc1cnc2c(cnn2C(C)C)c1)c1ccccc1 75106247 HDJPQLKMYRKVCJ-HXUWFJFHSA-N 367.453 3.696 0 40 FHAB Cc1nn(CCC(=O)NCc2ccc(Cl)cc2)c(C)c1Br 27969261 OAJCFPCTTLLUAK-UHFFFAOYSA-N 370.678 3.622 0 40 FHAB Cc1noc(C)c1CC(=O)N1CCC[C@H](c2n[nH]cc2-c2ccccc2)C1 72380391 PGTKWSYGPMUDNX-KRWDZBQOSA-N 364.449 3.630 0 40 FHAB Cc1ccc(-c2nnc(CN(C)C(=O)COc3cccc(C)c3C)o2)cc1 408714966 ZONQRDWEVPZHKA-UHFFFAOYSA-N 365.433 3.699 0 40 FHAB CCc1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 22521954 YQSLJDSUDUJGMN-UHFFFAOYSA-N 352.843 3.526 0 40 FHAB CCOCC(=O)Nc1cnc(C)n1-c1nc(-c2ccc(C)cc2)cs1 32616201 QMHZQIADNFTXKR-UHFFFAOYSA-N 356.451 3.588 0 40 FHAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1-n1ccnc1 216448227 RABFTYNQWUZIOW-AWEZNQCLSA-N 355.825 3.609 0 40 FHAB C[C@H]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 36006918 HBHJSSIOIPAXOO-FXAWDEMLSA-N 372.534 3.725 0 40 FHAB COc1ccccc1NC(=O)CSCc1cc(=O)c2ccc(C)cc2[nH]1 33063621 MUIXECJNUNOTKO-UHFFFAOYSA-N 368.458 3.717 0 40 FHAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCN2C2CCOCC2)n1 72360367 ZHLBXUFIICMHJX-INIZCTEOSA-N 359.499 3.609 0 40 FHAB COC(=O)c1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)c(OC)c1 31701414 UAUWKRJRPFNMQW-UHFFFAOYSA-N 374.780 3.764 0 40 FHAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 211960775 DARWRKHQDOJAJK-LFIBNONCSA-N 352.415 3.670 0 40 FHAB CCCCNC(=O)CSc1ncnc2c(-c3ccc(F)cc3)c[nH]c12 71328185 LGFHCGMGASHQKK-UHFFFAOYSA-N 358.442 3.772 0 40 FHAB COc1cccc(-c2noc(CN(C)C(=O)CCc3ccc(C)cc3)n2)c1 78579416 ONLVPZSYNRFCAA-UHFFFAOYSA-N 365.433 3.645 0 40 FHAB COc1ccc(C)cc1NC(=O)CN1CCC[C@@H]1CN(C)c1ccccc1 62582399 YUYOIWPXDDWXMQ-LJQANCHMSA-N 367.493 3.543 0 40 FHAB CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cn1 225874715 CVUDPVZITLQIDZ-UHFFFAOYSA-N 358.413 3.696 0 40 FHAB CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1 223297321 YJHIDEKPCHAVET-QXAKKESOSA-N 370.522 3.616 0 40 FHAB COCCn1ccc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc21 85879562 ROTGNYKDBNWVNI-UHFFFAOYSA-N 361.445 3.742 0 40 FHAB biogenic CCc1nc(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)sc1C 40118976 OHBXIPUVXDKPIK-UHFFFAOYSA-N 364.467 3.611 0 40 FHAB Cc1cc(C)cc(OCC(=O)Nc2c(C)cc3nc(NN)sc3c2C)c1 45890128 JUVYPDCHYZHPPQ-UHFFFAOYSA-N 370.478 3.833 0 40 FHAB CCCSc1nnc(NC(=O)Cc2cccc(Br)c2)s1 225624554 HEFIHFFCVPCGJU-UHFFFAOYSA-N 372.313 3.984 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C 222430241 IPXSONYQNGLYNJ-UHFFFAOYSA-N 366.870 3.605 0 40 FHAB Cc1ccc(NC(=S)N2CCN(Cc3cccc(O)c3)CC2)cc1C 225219916 UEKMGVPZVDGUBR-UHFFFAOYSA-N 355.507 3.524 0 40 FHAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 222815489 OYXHQSAPYUWHOB-RTBURBONSA-N 363.490 3.648 0 40 FHAB C[C@@H](C(=O)Nc1c(-c2nc3ccccc3[nH]2)cnn1C)c1ccsc1 1588196724 BXWTXABMXXJRLG-LLVKDONJSA-N 351.435 3.767 0 40 FHAB CCc1cccc(NC(=O)N2CC[C@]3(C[C@H]3C(=O)Nc3cccnc3)C2)c1 96226896 UZQNQMCXYJPQAZ-RXVVDRJESA-N 364.449 3.527 0 40 FHAB Cc1ccc(CN2CC[C@]3(CCCN(C(=O)c4cccnc4)C3)C2)s1 96047043 GLVFMGXWLDBOFY-HXUWFJFHSA-N 355.507 3.580 0 40 FHAB Cc1noc(C)c1CN1CC[C@@]2(CCCN(CCOc3ccccc3)C2)C1 96216278 DYSNMLCHGORSGO-JOCHJYFZSA-N 369.509 3.658 0 40 FHAB O=C(NC1CCCCCCC1)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2 97097203 FUGOHDQKEUBUOW-GOSISDBHSA-N 372.444 3.531 0 40 FHAB CC(C)N1CCC[C@@H](c2cnc(N3CC4(CCCCC4)OC3=O)cn2)C1 257208976 BOIYIJKZKYKYIB-MRXNPFEDSA-N 358.486 3.724 0 40 FHAB CC(=O)N1CCC(Cc2cccc(N3CC4(CCCCC4)OC3=O)n2)CC1 257274584 NLSSLZGJDMRJRX-UHFFFAOYSA-N 371.481 3.542 0 40 FHAB Nc1nc(I)cnc1-c1cccc(Cl)c1Cl 616567830 DKCWCBUYSUKSIL-UHFFFAOYSA-N 365.989 3.637 0 40 FHAB Oc1cccc(CNCc2ccc(OCCN3CCCC3)cc2)c1Cl 645155177 LFQQITYGVJOYSM-UHFFFAOYSA-N 360.885 3.810 0 40 FHAB COc1c(Cl)cccc1NC(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F 653952681 OWNNTKQXRLWVBZ-CABZTGNLSA-N 366.767 3.970 0 40 FHAB CCCC(=O)N1CCCC[C@H]1c1nc(-c2ncccc2OC(C)C)no1 664994196 DOSYCYAQFMSHIA-AWEZNQCLSA-N 358.442 3.773 0 40 FHAB O=C(NCc1ccccc1)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]21 1075999179 PHPWGEMSZMRUSS-CZYKHXBRSA-N 365.521 3.791 0 40 FHAB C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1ccc[nH]c1=S 55628632 IGUUFPYNTXAWEQ-SNVBAGLBSA-N 356.369 3.960 0 40 FHAB Cc1cc(C)nc(SCC(=O)N2CCc3c([nH]c4ccccc34)[C@H]2C)n1 58202392 ZVSJYFUSURGMDI-CQSZACIVSA-N 366.490 3.813 0 40 FHAB O=C(NCCCc1ccccc1)c1cccc(I)c1 5443616 DVOOFHKZINRBAL-UHFFFAOYSA-N 365.214 3.654 0 40 FHAB CCC(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 12241478 UBFYGDCGYUMRIO-UHFFFAOYSA-N 355.463 3.848 0 40 FHAB CCCn1nc(C)c(CN2CCC[C@](O)(c3ccc(F)cc3)CC2)c1C 12242227 WBJKJTCBYJGMJZ-OAQYLSRUSA-N 359.489 3.923 0 40 FHAB Cc1ccc(C)c(O[C@H](C)C(=O)N2CCN(c3ccccc3F)CC2)c1 13710488 LMNXPRACCSTODX-QGZVFWFLSA-N 356.441 3.559 0 40 FHAB O=C1N[C@]2(CCS1)Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 16712050 OEAITSXEKASUBS-APWZRJJASA-N 351.431 3.730 0 40 FHAB COc1cc(CNC(=S)Nc2ccc(Cl)cc2)cc(OC)c1OC 18165654 QJQBSCUMLMGQCG-UHFFFAOYSA-N 366.870 3.852 0 40 FHAB Cc1nc(C2CCN(C(=O)c3ccco3)CC2)sc1-c1ccncn1 19560743 ZFOSPFHZXGXRBO-UHFFFAOYSA-N 354.435 3.521 0 40 FHAB O=C(NCc1ccn(C2CCCC2)n1)N1CCc2c(F)cc(F)cc2C1 152243788 XLGWIGGWNHGMKD-UHFFFAOYSA-N 360.408 3.544 0 40 FHAB C[C@@H](O)CNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 5528886 FBPXXPDKESCXIE-CQSZACIVSA-N 368.458 3.598 0 40 FHAB c1ccc2[nH]c(-c3ccc(Sc4nnnn4C4CCCC4)nc3)nc2c1 8013534 HBTJJFBZFRQBFE-UHFFFAOYSA-N 363.450 3.878 0 40 FHAB O=C(CSc1nc2ccccc2s1)Nc1ccc2c(c1)COC2=O 1080707 IANXJXWZHPOITR-UHFFFAOYSA-N 356.428 3.698 0 40 FHAB O=C(CCc1ccccc1)N1CCN(c2nc3ccccc3s2)CC1 1437041 JPCUMZHJNRENLU-UHFFFAOYSA-N 351.475 3.578 0 40 FHAB COc1ccc(-n2nnc3c(SCc4ccccc4F)ncnc32)cc1 4166781 OBZJYYAFROTPON-UHFFFAOYSA-N 367.409 3.651 0 40 FHAB CC[C@H](C(=O)N(c1ccc(F)cc1)[C@H]1C=CS(=O)(=O)C1)c1ccccc1 4165455 ZGOJWYREMXTGAU-OALUTQOASA-N 373.449 3.663 0 40 FHAB CCOC(=O)c1c(C)c(C(=O)Nc2ccc(OC)cc2OC)c(C)n1CC 5054633 LRGGDPZWJHUNJM-UHFFFAOYSA-N 374.437 3.571 0 40 FHAB CCc1ccccc1N(C(=O)c1cccc(C)c1)[C@H]1C=CS(=O)(=O)C1 6805822 AUXVHLIVZYJRIO-SFHVURJKSA-N 355.459 3.515 0 40 FHAB O=C(NCc1nc(C2CCC(F)(F)CC2)no1)c1c[nH]c2ccccc12 575616993 PHNKDIVIUUYQQL-UHFFFAOYSA-N 360.364 3.774 0 40 FHAB O[C@H]1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C[C@@H]1n1ccnc1-c1ccccc1 2332242864 WOFGBAZWZZIIEI-BJESRGMDSA-N 373.500 3.994 0 40 FHAB CC[C@@H](NC(=O)CCc1c(C)[nH]c(=S)[nH]c1=O)c1ccc(Cl)cc1 10423805 CEEFTGNYAKXFLO-CQSZACIVSA-N 365.886 3.594 0 40 FHAB Cc1noc(CSc2ccc(C(=O)N3CCc4ccccc43)cc2)n1 40042987 RMWBPJXOMZFDCH-UHFFFAOYSA-N 351.431 3.873 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COCCOc1ccccc1 40132095 PHXOYDDJAISPOO-UHFFFAOYSA-N 365.433 3.523 0 40 FHAB O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 50446134 DNASGOBZANGSAY-CYBMUJFWSA-N 372.852 3.731 0 40 FHAB COc1ccc(N[C@H]2CC(=O)N(c3c(C)cccc3C)C2=O)cc1Cl 102123618 UQVVCGCPFLGMPC-HNNXBMFYSA-N 358.825 3.709 0 40 FHAB CCN1CCC(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 32732000 AZACARYPRQJGRJ-UHFFFAOYSA-N 355.463 3.770 0 40 FHAB CC(=O)c1ccc(C(=O)N(C)Cc2ccccc2Br)s1 32768220 BDHMKPWYXZETAW-UHFFFAOYSA-N 352.253 3.985 0 40 FHAB COc1cc2cc(C(=O)NCc3cccc(Cl)c3)[nH]c2c(OC)c1OC 32824862 SGEURSRFQXLIHC-UHFFFAOYSA-N 374.824 3.777 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)NCCc1cc(Cl)c2c(c1)OCCO2 32863240 LPNHNZRZDKBRIG-DOMZBBRYSA-N 352.862 3.532 0 40 FHAB OC1=C2C(=Nc3nonc3N[C@@H]2c2ccc(O)cc2)C[C@@H](c2ccco2)C1 102751571 PMDCRLRZLHARNO-PIGZYNQJSA-N 364.361 3.997 0 40 FHAB COc1cccc(C(=O)N[C@H](C)c2ccc(Br)cc2)c1OC 668092 GMSMXXHSSGGQRT-LLVKDONJSA-N 364.239 3.957 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CCC4)cc1 793398 RCZCFVIMBGESDL-UHFFFAOYSA-N 371.414 3.761 0 40 FHAB COC(=O)COc1ccc2c(=O)c(Oc3ccc(F)cc3)c(C)oc2c1 894887 ZJAIVQUIDZVUPP-UHFFFAOYSA-N 358.321 3.585 0 40 FHAB CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc(C(=O)O)cc1 716964 PIKVMEOACZZYBY-UHFFFAOYSA-N 366.373 3.862 0 40 FHAB biogenic Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)N2CCCCC2)cc1 824982 ALNNKTADVTYQDP-NBVRZTHBSA-N 354.475 3.840 0 40 FHAB Cc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)C(=O)CCC3 1246374 ZNLXWJRSDSUTLW-UHFFFAOYSA-N 351.431 3.958 0 40 FHAB COc1ccccc1NC(=O)c1ccc(O[C@@H](C)C(=O)OCC(C)C)cc1 1939184 MNWGAAPBBAYYAF-HNNXBMFYSA-N 371.433 3.914 0 40 FHAB FC(F)(F)C12C3(C(F)(F)F)[C@]45C=C[C@]1(CC[C@]21C=C[C@@]3(CC4)O1)O5 2518898 KDYYIGLVOYNXIM-UGEYFSKZSA-N 350.258 3.827 0 40 FHAB CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1cccc(F)c1)C(C)C 3517805 WPVIEISNXKAVTN-SFHVURJKSA-N 358.413 3.618 0 40 FHAB CCc1cccc(C)c1NC(=O)COC(=O)c1ccc2ncsc2c1 3572907 OXTSDCRZVQOUHR-UHFFFAOYSA-N 354.431 3.963 0 40 FHAB CC[C@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCCc1ccccc1 3895897 CAYDQTWMYYDYFQ-CAOKTKFFSA-N 358.526 3.703 0 40 FHAB CC[C@H](Sc1ncnc2c1cnn2-c1ccc(Cl)cc1)C(=O)OC 4341673 GZQLCSSMLRUMLC-ZDUSSCGKSA-N 362.842 3.513 0 40 FHAB CCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 4592888 ZTVSUNWOSNKKIZ-FTUNRGFVSA-N 355.434 3.708 0 40 FHAB O=S(=O)(NCCSCc1ccc(Cl)cc1)c1ccc(F)cc1 4743251 IKPGZIHCJHPGQD-UHFFFAOYSA-N 359.875 3.691 0 40 FHAB COc1ccccc1N1CCN(c2ncnc3c2[nH]c2cccc(C)c23)CC1 5149969 CDLBMRQLWPIOIF-UHFFFAOYSA-N 373.460 3.755 0 40 FHAB CCOc1ccccc1NS(=O)(=O)c1ccc(Br)cc1 5214482 KVRGSZVKGSEQSM-UHFFFAOYSA-N 356.241 3.649 0 40 FHAB O[C@H](c1ccccc1)n1c(=S)sc(=S)n1[C@H](O)c1ccccc1 5684858 MPHYXTLFUUJVBN-ZIAGYGMSSA-N 362.501 3.888 0 40 FHAB O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)N1CCCCC1 6531456 UZXADEDGPXRYQF-UHFFFAOYSA-N 371.506 3.616 0 40 FHAB COc1cc([C@@H]2C3=C(Nc4ncnn42)c2ccccc2CCC3)ccc1O 6590511 FPBTXFZKFWGNFP-HXUWFJFHSA-N 360.417 3.755 0 40 FHAB COc1cccc(N2CCN(C(=O)c3cc4ccccc4cc3O)CC2)c1 6976328 BPVSYFUPGGPMJY-UHFFFAOYSA-N 362.429 3.516 0 40 FHAB Cc1nnc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)n1C1CC1 6993299 OJJUQFSSBMFRBA-UHFFFAOYSA-N 371.510 3.643 0 40 FHAB COc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CC(=O)N4)cs2)c1 7036760 APDZXHYLVRFCMX-UHFFFAOYSA-N 365.414 3.566 0 40 FHAB CCc1cccc(C)c1NC(=O)COc1cccc(N2CCCC2=O)c1 7064303 MANBGGDGBMAVEI-UHFFFAOYSA-N 352.434 3.702 0 40 FHAB COc1ccc2cc(CN(C)CC(=O)NCc3ccccc3F)ccc2c1 7806061 XBOCFXWIVKLFAC-UHFFFAOYSA-N 366.436 3.736 0 40 FHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(-c2ccc(F)cc2)o1 7963591 QDQCUWXWDZSLOS-UHFFFAOYSA-N 370.355 3.936 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C)c(C)c1 8040766 ZZEKTNHIHSNLEQ-INIZCTEOSA-N 354.450 3.849 0 40 FHAB Cc1sc2ncnc(Sc3nnc(-c4cccnc4)n3C)c2c1C 8718116 WMYVLBREGNWQOZ-UHFFFAOYSA-N 354.464 3.650 0 40 FHAB C[C@@H](Cc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1)c1ccccc1 9196739 ZZFXZCCFVFKJIZ-LBPRGKRZSA-N 367.430 3.865 0 40 FHAB CC(=O)N[C@@H](CC(=O)Nc1ccccc1Br)c1ccccc1 9690555 CKNICQNPEYSRLR-INIZCTEOSA-N 361.239 3.655 0 40 FHAB C[C@@H](NC(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1)c1ccccc1 11856802 MQQFCVPEIKFDOV-CQSZACIVSA-N 367.376 3.849 0 40 FHAB CCc1ccc(OCC(=O)Nc2nc(-c3ccc(F)cc3)ns2)cc1 11913872 NDOYJADFWIICEN-UHFFFAOYSA-N 357.410 3.924 0 40 FHAB Cc1c(C(=O)N[C@@H](C)c2nc(-c3cccnc3)no2)oc2c(C)cccc12 12202382 WAOTTWBETVZONO-ZDUSSCGKSA-N 362.389 3.986 0 40 FHAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)Cc2ccc(C)c(C)c2)c1 12546147 ZZVADANOINNDOS-UHFFFAOYSA-N 366.461 3.871 0 40 FHAB CN(C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccccc1 12745536 FNCCFLCJJUNSOH-UHFFFAOYSA-N 355.397 3.662 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)N[C@H]1CCSc2ccc(F)cc21 12851465 QZGKROVVRQNHCD-HNNXBMFYSA-N 359.422 3.840 0 40 FHAB CCOC(=O)c1cccc(NC(=O)CCn2ccc3cc(OC)ccc32)c1 13720968 VRXZHQCRRLWDQF-UHFFFAOYSA-N 366.417 3.855 0 40 FHAB CC(C)C[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1ccccc1 13751648 IGKFVPFUHTWJMI-OTWHNJEPSA-N 368.408 3.550 0 40 FHAB CCC(CC)C(=O)Nc1nnc([C@H]2CC(=O)N(c3ccc(C)cc3)C2)s1 13944494 CQTJWEVQELSFEP-AWEZNQCLSA-N 372.494 3.742 0 40 FHAB CCN(Cc1cccs1)C(=O)CSc1nnc(-c2ccccc2)n1C 14171829 NZBXBTUVSNFALA-UHFFFAOYSA-N 372.519 3.684 0 40 FHAB Nc1c(Cl)cc(NC(=O)CCNC(=O)NC2CCCCC2)cc1Cl 14899261 YYFVCOVYJMSYKP-UHFFFAOYSA-N 373.284 3.536 0 40 FHAB CCc1ccc2cc(C(=O)N3CCN(CCc4ccccc4)CC3)[nH]c2c1 15480658 YDASLDVBXKMZJT-UHFFFAOYSA-N 361.489 3.731 0 40 FHAB O=C(c1cccc(F)c1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1 15987548 QWXUZAPBRFVNMG-UHFFFAOYSA-N 365.408 3.647 0 40 FHAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CC2CCCCC2)cc1 16740381 MVPCWKZFTODEDY-AWEZNQCLSA-N 352.500 3.672 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2ccc(OCc3cscn3)cc2)cc1 19179641 FEXVNOGNWXGSGY-UHFFFAOYSA-N 367.430 3.933 0 40 FHAB Cn1ccnc1-c1nc(NCc2ccccn2)ncc1-c1cccc(F)c1 19291724 PBFDZTNKIOCHNS-UHFFFAOYSA-N 360.396 3.690 0 40 FHAB Cc1ccc(-n2cc(CN(Cc3ccccn3)C[C@@H]3CCCO3)cn2)cc1 19664433 DRNDWCCADCFVDC-QFIPXVFZSA-N 362.477 3.757 0 40 FHAB CCOC(=O)[C@]1(Cc2ccc(Cl)cc2Cl)C(=O)Nc2ccccc21 20031760 DWBPCKNPUQQHND-SFHVURJKSA-N 364.228 3.989 0 40 FHAB Cc1cc(C)cc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c1 20104200 KOKVTHPVIQWMDJ-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB CS(=O)(=O)Nc1ccc(NC(=O)c2occc2-c2ccccc2)cc1 21193977 FXMMNTYJCTZMLF-UHFFFAOYSA-N 356.403 3.570 0 40 FHAB CC(C)(C)C(=O)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1 21596364 ULYRGTCDFMKXQJ-UHFFFAOYSA-N 354.435 3.749 0 40 FHAB Cc1ccc(NC(=O)CN(C)C(=O)CNc2ccccc2C(C)C)cc1 22185556 BBCFZFCWOCIOAP-UHFFFAOYSA-N 353.466 3.627 0 40 FHAB O=c1[nH]c2ccccc2n1CN1CCC(c2nc3ccccc3s2)CC1 23865495 SPQJEZAPAFGPNW-UHFFFAOYSA-N 364.474 3.776 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)CCc2ccc3c(c2)OCO3)c1 24697874 AVZPOFRHWGPRJH-UHFFFAOYSA-N 357.406 3.784 0 40 FHAB Cc1c(C(=O)NCC2(N(C)C)CCCCCC2)[nH]c2c1C(=O)CC(C)(C)C2 25443488 SNIIDIFYCGIGLC-UHFFFAOYSA-N 373.541 3.863 0 40 FHAB CCC[C@H](C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccccc1 26061329 UZTYOKMWVQLNHK-IBGZPJMESA-N 372.490 3.650 0 40 FHAB C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N(C)Cc1cnn(C)c1 27539543 KFZPQZIPRFLBHH-SNVBAGLBSA-N 374.794 3.551 0 40 FHAB COc1ccccc1C(=O)Nc1cnn(Cc2c(F)cccc2Cl)c1 28574315 ISOWPFDFPOBHLC-UHFFFAOYSA-N 359.788 3.985 0 40 FHAB O=C(O)CCn1c(/C=C/c2ccc(Cl)s2)nc2ccccc2c1=O 29736920 AYMONPJAYRGKDZ-SOFGYWHQSA-N 360.822 3.757 0 40 FHAB Cc1ccc(S(=O)(=O)NC[C@@H](NC2CCCCC2)c2ccccc2)cc1 32223268 PHZFQBDGZCWYLN-OAQYLSRUSA-N 372.534 3.937 0 40 FHAB Cc1cc(NC(=O)c2ccc(Br)o2)n(-c2ccc(F)cc2)n1 32610517 FRRIQOGUTGMOQF-UHFFFAOYSA-N 364.174 3.928 0 40 FHAB O=C(Nc1ccc(F)c(NC(=O)c2ccoc2)c1)c1ccc2c(c1)OCO2 32796350 YILVBSULNHHDDD-UHFFFAOYSA-N 368.320 3.652 0 40 FHAB O=C(O)COc1c(Cl)cc(/C=C2\SC(=S)N=C2O)cc1Cl 33739823 RDEYQTCZVCCTKL-BAQGIRSFSA-N 364.231 3.786 0 40 FHAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)cc1 35289589 RCVUBWQQDSZNKM-QGZVFWFLSA-N 373.840 3.984 0 40 FHAB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S 35648952 TUISGDNDXZHQIF-VUUNSECVSA-N 359.831 3.544 0 40 FHAB O=C([C@H]1CC(c2cccc(F)c2)=NO1)N(Cc1ccccc1F)C1CC1 36760319 CKBPZWXNRUEXLP-LJQANCHMSA-N 356.372 3.649 0 40 FHAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)Cc1ccc(F)cc1 40108446 USJVKLDTTKGODX-LBPRGKRZSA-N 350.231 3.878 0 40 FHAB CCCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1OCCC 41096566 FDHJQRZJPKDGQO-UHFFFAOYSA-N 355.500 3.829 0 40 FHAB O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2Nc1ccccc1Cl 41104813 JTSXGRICXGIDPR-MRXNPFEDSA-N 359.857 3.795 0 40 FHAB Cc1oc(-c2cccs2)nc1C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2 46206578 JWVMLULJHROAFT-JTQLQIEISA-N 367.430 3.697 0 40 FHAB CC1CCN([C@H](CNS(=O)(=O)Cc2ccccc2)c2ccccc2)CC1 48309549 ZBVKBPGMMHDCFO-OAQYLSRUSA-N 372.534 3.579 0 40 FHAB C[C@H](Nc1ccc(OCC(F)(F)F)nc1)C(=O)Nc1cccnc1Cl 56156070 CKDNTORXSZHDQB-VIFPVBQESA-N 374.750 3.510 0 40 FHAB CCc1cccc(C)c1NC(=O)Cn1c(SC)nc2ccsc2c1=O 57505051 OMNMWGGPVNJNLI-UHFFFAOYSA-N 373.503 3.689 0 40 FHAB O=C(CCc1nc(-c2ccsc2)no1)Nc1cnn(-c2ccccc2)c1 58159516 LACXROGPNWFRQH-UHFFFAOYSA-N 365.418 3.555 0 40 FHAB Cc1cc(C)n(C[C@H](C)CNCc2cc(Cl)c3c(c2)OCCCO3)n1 58171312 AFHMNUOCYFHADK-CYBMUJFWSA-N 363.889 3.741 0 40 FHAB COc1ccc(F)cc1CS(=O)(=O)c1nccn1-c1ccc(C)c(C)c1 58226052 SSFQFJHIYWVYCD-UHFFFAOYSA-N 374.437 3.611 0 40 FHAB Cc1nc(CSc2ccccc2C(=O)N[C@H]2COc3ccccc32)no1 58728790 WGPFWHGLHBRWHE-HNNXBMFYSA-N 367.430 3.534 0 40 FHAB Cc1ccc(-c2noc(-c3ccccc3OCC(=O)NC(C)C)n2)cc1 64579644 NMOGKGMSZZUBDQ-UHFFFAOYSA-N 351.406 3.615 0 40 FHAB CC(=O)N1CCCCC[C@H]1C1CCN(c2ncnc3ccccc23)CC1 69779135 NVPMYEMUOOJHHU-FQEVSTJZSA-N 352.482 3.637 0 40 FHAB COc1ccc2cc(C(=O)[C@@H]3CCCN(CCc4cn[nH]c4)C3)ccc2c1 71639260 LBUDLSPOYQDAGG-HXUWFJFHSA-N 363.461 3.709 0 40 FHAB CCOCCCNc1ncc(-c2cnccn2)c(-c2ccc(C)s2)n1 72340293 GYGQHTCGNNDIMH-UHFFFAOYSA-N 355.467 3.809 0 40 FHAB CCc1ccc(-c2nsc(NC(=O)Cc3ccc(OC)cc3)n2)cc1 72427657 YTDRPTPYJGGBGU-UHFFFAOYSA-N 353.447 3.957 0 40 FHAB COc1ccc(CNC(=O)CCc2ccccc2Cl)c(OC)c1OC 74384657 VHLYIKHSIJELLQ-UHFFFAOYSA-N 363.841 3.615 0 40 FHAB Cc1cc(C(F)(F)F)nc(CCNC(=O)c2cccc3ccccc23)n1 75170690 LYFBFBJCMQZHNK-UHFFFAOYSA-N 359.351 3.930 0 40 FHAB CC(C)[C@@H](NC(=O)Nc1ccc(-c2cc[nH]n2)cc1)c1nc(C2CC2)no1 77711725 ISHOZORHFBDIKW-MRXNPFEDSA-N 366.425 3.856 0 40 FHAB O=C(c1ccccc1Cl)c1ccccc1CN1CCC2(CC1)OCCO2 85651586 MENXPWLPHGGFQX-UHFFFAOYSA-N 371.864 3.910 0 40 FHAB CCN1C[C@H](c2ccccc2)CC2(CCN(c3cc(OC)ncn3)CC2)C1 91390929 ZVEYJJGLMQYSKW-LJQANCHMSA-N 366.509 3.581 0 40 FHAB Cc1cc(-c2nn3c(-c4ccc(Br)s4)nnc3s2)on1 95477137 SBOMQMLUMMUQRT-UHFFFAOYSA-N 368.241 3.640 0 40 FHAB O=C(Nc1cc(Cl)ccc1-c1nc2ccccc2[nH]c1=O)C(F)(F)F 95945895 JZYNEHPOOWTLDX-UHFFFAOYSA-N 367.714 3.744 0 40 FHAB CSc1nc(C(=O)N2CCC[C@@H](O)c3cc(F)ccc32)c2ccccn12 96011726 IHXLPXJUUBMSDD-MRXNPFEDSA-N 371.437 3.669 0 40 FHAB Cc1ccc(CN2CCC3(CC[C@@H]3NC(=O)c3ccn(C)c3)CC2)s1 96051696 XIGJNUXPMPKGDF-SFHVURJKSA-N 357.523 3.570 0 40 FHAB CC(=O)N[C@H]1C(=O)N(Cc2ccccc2OC(C)C)c2c(C)cccc21 100485528 NWTZIFOSTYDZOA-LJQANCHMSA-N 352.434 3.506 0 40 FHAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](CC(C)C)[C@H]3C2=O)cc1 101073430 ZUPSITHYXMCPQV-ZCNNSNEGSA-N 364.445 3.720 0 40 FHAB CC(C)C[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2ON1c1ccccc1 102725347 IGKFVPFUHTWJMI-IPMKNSEASA-N 368.408 3.550 0 40 FHAB COc1ccc(NC(=O)c2ccc(N3CC[C@@H](OC)C3)cc2)cc1Cl 206767324 RLNOYVBQEDUQSX-MRXNPFEDSA-N 360.841 3.826 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1C 224180508 ZENBCONNHOCYEW-NRFANRHFSA-N 366.505 3.789 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1nnc(SC(C)C)s1 224189390 IAKWAHFGPQXXDE-CYBMUJFWSA-N 367.496 3.843 0 40 FHAB Cc1cc(OCC(=O)NCCOc2ccc(F)cc2)cc(C)c1Cl 224259770 YGLXUDYUMJMEDH-UHFFFAOYSA-N 351.805 3.670 0 40 FHAB Cc1ccc(C)c(OCC(=O)Nc2nnc(SCC(C)C)s2)c1 224424116 LNZAIGJMVSHGDG-UHFFFAOYSA-N 351.497 3.921 0 40 FHAB CCOc1ccc(C(=O)N2CCOCC2)cc1COc1cc(C)cc(C)c1 224535872 XHFGMNSTTDEOPB-UHFFFAOYSA-N 369.461 3.754 0 40 FHAB COc1ccc(CC(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1C 224888110 GRQOPFGHMQPYOA-UHFFFAOYSA-N 365.433 3.563 0 40 FHAB COc1ccc(CCC(=O)NCC2(c3ccccc3)CCOCC2)cc1C 224965285 NXZHNDQMABSRDV-UHFFFAOYSA-N 367.489 3.801 0 40 FHAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 225133601 XZJQLRBTMWAAIM-OAQYLSRUSA-N 366.505 3.871 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccc(OC)cc2)c1 225314517 YKNAORDBSSEDEX-UHFFFAOYSA-N 358.463 3.667 0 40 FHAB C[C@H](Oc1ccccc1F)C(=O)N1[C@H]2CC[C@H]1CC(Oc1ccncc1)C2 238823520 DEWFQCHGVDFSGS-JYJNAYRXSA-N 370.424 3.589 0 40 FHAB CC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[C@H](C1CCOCC1)O2 257244091 IJUSNQAAQWLRDY-NHCUHLMSSA-N 357.494 3.757 0 40 FHAB CCNc1cc([C@H]2CCCN2CC2=Cc3ccccc3OC2)nc(C)n1 257309491 UBDPWJQNBHPRMR-LJQANCHMSA-N 350.466 3.830 0 40 FHAB O=C(CC1CCOCC1)N1CCC[C@@H](Cc2cnc3ccccc3c2)C1 257323064 WIOZUPVCTFVRHK-SFHVURJKSA-N 352.478 3.833 0 40 FHAB O=C(CC1CCOCC1)N1CCC[C@H](Cc2ccc3[nH]ncc3c2)CC1 257327052 WZRVSBSXRIIYPN-INIZCTEOSA-N 355.482 3.551 0 40 FHAB O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(Cc2cnoc2C2CC2)C1 583615374 CXZPSZZJAPBRFK-CVEARBPZSA-N 352.356 3.879 0 40 FHAB O=C(c1ccc2ncsc2c1)N1CC[C@H](c2ccc3c(c2)CCO3)C1 585148752 CLUMJHFYPQFSAR-INIZCTEOSA-N 350.443 3.861 0 40 FHAB c1cnc(Nc2nc([C@@H]3CCCCN3Cc3cscn3)cs2)cn1 1848353809 XCDUTGBRECDKMX-AWEZNQCLSA-N 358.496 3.860 0 40 FHAB CN1CCC[C@H](c2cncc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1 2037844516 VCFJVHZBYRKBAS-LBPRGKRZSA-N 361.371 3.619 0 40 FHAB COc1ccccc1CN1CCC(C(=O)N(C)Cc2ccccc2)CC1 785801 LENSAMRKUKNAAE-UHFFFAOYSA-N 352.478 3.566 0 40 FHAB COc1ccc(NC(=O)COc2cc3oc(=O)cc(C)c3cc2Cl)cc1 938928 HRNRFKHMPASJKA-UHFFFAOYSA-N 373.792 3.781 0 40 FHAB CC[C@@H](C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cn1 1400372 NDHLDQUFTDGMEO-LLVKDONJSA-N 352.843 3.560 0 40 FHAB Cc1cccc(N2C(=O)C[C@H](c3cccc(Cl)c3)C3=C2COC3=O)c1 1429381 DMLXNSWLMMBXKK-MRXNPFEDSA-N 353.805 3.980 0 40 FHAB Cc1ccc(S(=O)(=O)NCC[C@@]2(C(C)C)CCOC(C)(C)C2)cc1 2397865 SGARNWUALYQSGO-LJQANCHMSA-N 353.528 3.895 0 40 FHAB Cc1cccn2c(=O)c3cc(C(=O)Nc4ccc(F)cc4)sc3nc12 2466929 GIJZRJURORXLOX-UHFFFAOYSA-N 353.378 3.609 0 40 FHAB C[C@@H](NC(=S)c1cccc2ccccc12)c1ccc(S(N)(=O)=O)cc1 3338775 VZQOQVHIFRPICW-CYBMUJFWSA-N 370.499 3.514 0 40 FHAB Cc1noc(C)c1CSc1nnc(Cc2cccc3ccccc23)n1N 3405317 RNLFADZYWWXTMZ-UHFFFAOYSA-N 365.462 3.633 0 40 FHAB O=C(CSc1nncn1-c1ccccc1)Nc1ccc(F)cc1Cl 3543195 JCVNFEHHJSBUNV-UHFFFAOYSA-N 362.817 3.791 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2ccc(Br)s2)cc1 4070203 BZBRLAUYIZRISX-UHFFFAOYSA-N 354.225 3.940 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)CCC(=O)O)cc1 4593117 PEBGEUBUEAYNCP-UHFFFAOYSA-N 360.797 3.704 0 40 FHAB Cc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc(C)c3)c2=O)cc1 4904986 GFIFRMDXIWGVOL-UHFFFAOYSA-N 356.425 3.818 0 40 FHAB CNC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1CC[C@H](C)C2 5055637 SHFVHXMASCMOKB-ZDUSSCGKSA-N 356.491 3.804 0 40 FHAB CCn1c(SCC(=O)N(C)Cc2ccccc2OC)nc2ccccc21 5071478 NUTCQBFWZUYZJP-UHFFFAOYSA-N 369.490 3.816 0 40 FHAB O=C1C[C@@H](c2ccc(F)cc2)Cc2nc(NCCc3ccco3)ncc21 5425500 GRCJNLSTXZLOBS-AWEZNQCLSA-N 351.381 3.776 0 40 FHAB Cc1cc(C)c(NC(=O)CSc2nc(-c3ccccc3O)n[nH]2)c(C)c1 5488555 NFGUWGXVTZZRCC-UHFFFAOYSA-N 368.462 3.833 0 40 FHAB O=C(OCc1cn2ccccc2n1)c1ccccc1C(=O)c1ccccc1 5655058 YNJRMIXRHDFJMA-UHFFFAOYSA-N 356.381 3.922 0 40 FHAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1 6362268 XRHPDUFUASZXMI-UHFFFAOYSA-N 370.430 3.950 0 40 FHAB CCCN1C(=O)c2[nH]nc(-c3ccc(F)cc3)c2[C@H]1c1ccc(O)cc1 6747866 BBDUALBPGCORRG-LJQANCHMSA-N 351.381 3.877 0 40 FHAB COc1ccccc1NC(=O)CSc1nccn1Cc1ccc(F)cc1 7391634 BJBPLYZBRSDQTN-UHFFFAOYSA-N 371.437 3.810 0 40 FHAB Cc1ccc(C)c(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)c1 7399680 PQXDTPWDWAKLIY-UHFFFAOYSA-N 354.494 3.965 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCCOc1ccccc1F 7477603 BICUBTUMQGAMFE-UHFFFAOYSA-N 354.381 3.864 0 40 FHAB COCCn1c(C)cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c1C 7902976 NKUKSGJWWGFYSN-UHFFFAOYSA-N 374.510 3.530 0 40 FHAB Cc1cc(C)cc(-n2nnnc2SCC(=O)Nc2cccc(Cl)c2)c1 8022225 HFFZGVJFJNUINF-UHFFFAOYSA-N 373.869 3.663 0 40 FHAB CC1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)CC1 8170108 NFQDLTFGBLPSDK-UHFFFAOYSA-N 352.434 3.946 0 40 FHAB COc1ccc(CSC2=N[C@@H]3CCCC[C@H]3N2)cc1Br 8328791 QSZVDWTXWCZWCZ-CHWSQXEVSA-N 355.301 3.961 0 40 FHAB Cc1cc(C(=O)CCC(=O)N(C)C[C@@H]2COc3ccccc3O2)c(C)s1 8343718 MAEATYPMGGSSOL-OAHLLOKOSA-N 373.474 3.626 0 40 FHAB Cc1cc(C)c(NC(=O)CSc2nc3sccc3c(=O)[nH]2)c(C)c1 8456533 KEUBKUKXOTUSSV-UHFFFAOYSA-N 359.476 3.641 0 40 FHAB COc1ccc([C@H](CNC(=O)c2ccccc2F)N2CCCCC2)cc1 8916787 IEJQMOFBHFNVNI-FQEVSTJZSA-N 356.441 3.791 0 40 FHAB biogenic COC1CCN(C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1 8984940 BTSNQPAAUBDCSL-UHFFFAOYSA-N 355.463 3.646 0 40 FHAB C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)NC[C@@H](C)c1ccccc1 9450871 CLYLKGRRCBIQGM-CABCVRRESA-N 366.490 3.872 0 40 FHAB COc1ccc(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 10024343 QOSAFTDDGGDVJM-LJQANCHMSA-N 367.445 3.763 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)CNc1ccc(C)cc1Cl 11154112 QCUAAXHKNRWLCE-UHFFFAOYSA-N 361.829 3.666 0 40 FHAB COc1cc(C(=O)N[C@H](c2ccc(C)cc2)C2CC2)cc(OC)c1OC 11234025 XVUYVPOGPKFJME-LJQANCHMSA-N 355.434 3.902 0 40 FHAB Nc1nc2c(s1)[C@@H](c1cccc(OCCc3ccccc3)c1)CC(=O)N2 12376335 NETVIWKEYFFYQW-MRXNPFEDSA-N 365.458 3.821 0 40 FHAB Cc1ccc(-n2ncc(C(=O)N3CCN(c4ccccc4C)CC3)c2C)cc1 12545706 RSDIJCWGLFZHNX-UHFFFAOYSA-N 374.488 3.760 0 40 FHAB COc1ccc(-c2nc(C(=O)OCc3cccnc3)cs2)cc1OC 12555821 XHQTYNOLRJGGSV-UHFFFAOYSA-N 356.403 3.579 0 40 FHAB CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3cc(Cl)ccc3C)ccc21 12606721 QXDKMTITZHFYSW-CYBMUJFWSA-N 371.868 3.997 0 40 FHAB C[C@@H](Oc1ccccc1F)c1nnc(S[C@H](C(N)=O)c2ccccc2)o1 12949537 XOZINTIMACFSQJ-ABAIWWIYSA-N 373.409 3.667 0 40 FHAB CCOc1ccccc1-n1nnn(CN(C)Cc2ccccc2C)c1=S 12972976 QYEJQFZEWPJUHA-UHFFFAOYSA-N 369.494 3.595 0 40 FHAB CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)O)cc2)cc1 13345501 PDRJRWHXXSNMEQ-AWNIVKPZSA-N 359.447 3.883 0 40 FHAB O=C(Nc1ccc(-n2cnc3ccccc32)cc1)[C@H]1CC=CC[C@H]1C(=O)O 13468158 PIOMBFGYBHQXIW-DLBZAZTESA-N 361.401 3.631 0 40 FHAB CC[C@@H](C(=O)Nc1cc(C)ccc1C)N(c1ccc(C)cc1)S(C)(=O)=O 13713049 ZJGFFVXECWRMFO-IBGZPJMESA-N 374.506 3.795 0 40 FHAB COc1c(Br)cc(Cl)cc1NC(=O)c1c(C)noc1C 14200169 FLPJDYIPXIHMBK-UHFFFAOYSA-N 359.607 3.968 0 40 FHAB Cc1ccc(C)c(NC(=O)c2ccc(=O)n(Cc3ccccc3F)c2)c1 15883183 SAEAGKHNSXJOCU-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB O=C(Oc1ccccc1-c1cc(=O)n2c(n1)CCCCC2)c1ccccc1 16768635 AYHXHNBISWQQGF-UHFFFAOYSA-N 360.413 3.856 0 40 FHAB CC(=O)N1CCC[C@@](Cc2ccccc2-c2ccccc2)(C(=O)N(C)C)C1 19016920 APRVXIJFNLVGHA-QHCPKHFHSA-N 364.489 3.613 0 40 FHAB Cc1ccc2c(NC(=O)c3noc4c3C[C@H](C(C)(C)C)CC4)n[nH]c2n1 19715645 KNJRBBUULMWOLT-LLVKDONJSA-N 353.426 3.658 0 40 FHAB Cc1c([C@H](C)NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cnn1C 19718306 XZMUGDCPPSEBON-AWEZNQCLSA-N 371.444 3.830 0 40 FHAB CC[C@H](CN1CCOCC1)n1cncc1-c1[nH]c2ccccc2c1Cl 19719315 UFPICQXCNPHJLA-CQSZACIVSA-N 358.873 3.968 0 40 FHAB Cc1nn2c(ncc3c(=O)n(-c4ccncc4)ccc32)c1-c1ccc(F)cc1 19821351 XTRQXZWJNHBJBY-UHFFFAOYSA-N 371.375 3.543 0 40 FHAB CCc1c(C(=O)Nc2cccc(OC(F)F)c2)nnn1-c1ccccc1 19910920 REEARXFNIHTKBK-UHFFFAOYSA-N 358.348 3.683 0 40 FHAB O=C(c1ccc(Br)cc1)[C@H](CN1CCOCC1)c1ccccc1 20264560 GBENPFHLRCFAOS-GOSISDBHSA-N 374.278 3.748 0 40 FHAB CC(C)(C)NC(=O)COc1ccccc1-c1nc(-c2ccccc2)no1 21524608 ANFNAYKLNVERGZ-UHFFFAOYSA-N 351.406 3.697 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)CSc2ccc(C(F)(F)F)cn2)c1C 21637751 FJGXRLWXFFYTOO-UHFFFAOYSA-N 372.368 3.807 0 40 FHAB CCN(CC)c1ccc(NC(=O)COC(=O)c2ccc(F)c(F)c2)cc1 22429808 SNBRRFNCTKWUQS-UHFFFAOYSA-N 362.376 3.607 0 40 FHAB CCC(CC)[C@H](CNC(=O)c1ccc2[nH]c(C)c(C)c2c1)N1CCOCC1 22898361 PSJQNWIPPANGOG-NRFANRHFSA-N 371.525 3.652 0 40 FHAB O=C(CCN1CCN(Cc2cccs2)CC1)Nc1cccc(Cl)c1 22933300 RHCYMSZDQOEHTQ-UHFFFAOYSA-N 363.914 3.548 0 40 FHAB Cc1ccc(C)c(OC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c1C 22961279 AXNIWGMMEDNZNN-SFHVURJKSA-N 353.418 3.949 0 40 FHAB COc1cccc(N2C[C@@H](C(=O)N[C@@H](C)c3cccc(Cl)c3)CC2=O)c1 24748115 GCRCYGSGDDPXJX-ZFWWWQNUSA-N 372.852 3.579 0 40 FHAB CCCCN(C)C(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 25610787 GWADNHJXXXGYQR-UHFFFAOYSA-N 374.506 3.976 0 40 FHAB COc1ccc(Cl)cc1CN1CCN(c2cc(C)nc(C(C)C)n2)CC1 27545692 WTEJANGYTRIYNP-UHFFFAOYSA-N 374.916 3.893 0 40 FHAB C[C@H]1CCCN(Cc2csc(NC(=O)[C@@]3(C)CC3(Cl)Cl)n2)C1 28683771 KUCSFPTUYSENCF-IINYFYTJSA-N 362.326 3.897 0 40 FHAB C[C@@H](CC(=O)N(C)[C@@H]1CCCc2ccccc21)NC(=O)c1ccccc1 29258017 OPTJUZHNZKJKML-OXJNMPFZSA-N 350.462 3.731 0 40 FHAB CC(C)OC(=O)c1ccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)cc1 29485788 LZVCSOPGJCELQM-FQEVSTJZSA-N 366.461 3.810 0 40 FHAB CC(C)CNc1nnc(SCc2nc(Cc3ccccc3)no2)s1 31654036 AUHVEFVDXHGFLA-UHFFFAOYSA-N 361.496 3.872 0 40 FHAB C[C@@H](C(=O)NCc1cccnc1OC1CCCC1)n1cnc2ccccc21 31993689 TVYGLJKKSAUERE-HNNXBMFYSA-N 364.449 3.630 0 40 FHAB COc1ccc(CNC(=O)CCCc2nc(-c3ccc(F)cc3)no2)cc1 32488097 SHLUDDDIRZPWLG-UHFFFAOYSA-N 369.396 3.523 0 40 FHAB O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cc2cccc(Br)c2o1 32637757 GGUHRYYGOFTEFW-UHFFFAOYSA-N 373.162 3.882 0 40 FHAB COc1cccc(CN(C)C(=O)c2cc(Cl)c(Cl)n2C)c1OC 32681659 TWUPRMUCFYQYML-UHFFFAOYSA-N 357.237 3.621 0 40 FHAB C[C@H]1CN(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)[C@@H](C)CO1 32801619 ISTMTRNLBWPCDX-RNVJXAMWSA-N 351.446 3.915 0 40 FHAB O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCC(c2ccc(O)cc2)CC1 32893003 KTQWDTIYMHKYQU-IBGZPJMESA-N 357.837 3.755 0 40 FHAB COc1ccc(CC(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)c(OC)c1 32906465 XPGUEGZJRWMUPX-UHFFFAOYSA-N 370.449 3.870 0 40 FHAB O=C(O[C@@H]1CCCCC1=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 32947265 UYLQCMJAQQITQI-CQSZACIVSA-N 358.415 3.855 0 40 FHAB CC(C)(C)c1nc2cc(NC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)ccc2o1 33216097 JJPCLMXAAMMWAR-BFUOFWGJSA-N 373.478 3.518 0 40 FHAB CCn1cc(-c2nc(-c3ccccc3OC)no2)c(=O)c2cc(F)ccc21 38654241 POGMRRQTYAOACO-UHFFFAOYSA-N 365.364 3.886 0 40 FHAB CC(C)CNc1nc(C(=O)Nc2nnc(Cc3ccccc3)s2)cs1 40287358 RFZVINWNPYXYBL-UHFFFAOYSA-N 373.507 3.906 0 40 FHAB C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(NC(=O)Nc2ccccc2)cc1 42091780 XZIOPQGHDIVPGJ-KDOFPFPSSA-N 353.422 3.687 0 40 FHAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1OC 43030247 RRYNBELUATUYNW-CVEARBPZSA-N 357.450 3.965 0 40 FHAB CC(C)(C)NC(=O)c1ccc(NCC(=O)NCc2ccc(Cl)cc2)cc1 48374992 WLNXIFNXZMZEGW-UHFFFAOYSA-N 373.884 3.597 0 40 FHAB Cc1ccc2c(c1)OCC(=O)N2Cc1nc(-c2ccc(Cl)c(F)c2)no1 49002860 WPSMJERPHIOZAV-UHFFFAOYSA-N 373.771 3.763 0 40 FHAB Cc1ccc(C)c(NC(=O)CSc2nccnc2-n2nc(C)cc2C)c1 49404421 YRMUQECLGWVZLN-UHFFFAOYSA-N 367.478 3.627 0 40 FHAB CC[C@H](C)C[n+]1c(O)cc2nn(-c3nc4ccccc4s3)c(O)c2c1C 49623494 HXDDSWIKIJQYAP-NSHDSACASA-O 369.470 3.688 0 40 FHAB CCCCN(C(=O)Cn1nc(-c2ccccc2)ccc1=O)c1ccccc1 54915253 WWQXEYWCMAORHH-UHFFFAOYSA-N 361.445 3.744 0 40 FHAB COc1ccccc1CN1COc2ccc3c(C)c(C)c(=O)oc3c2C1 55402543 XFGHCPZOCXNIKO-UHFFFAOYSA-N 351.402 3.771 0 40 FHAB biogenic Cc1ccccc1-c1noc(CN2CCN(c3cccc(C)c3C)CC2)n1 58029876 LGFVNJBNFIKMPA-UHFFFAOYSA-N 362.477 3.984 0 40 FHAB O=C(C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)c1ccc2c(c1)CCC2 58174798 ZMGPRUIQGYCXCU-SFHVURJKSA-N 374.440 3.905 0 40 FHAB Cc1nc(CSc2nnc(COc3ccc(Cl)cc3)n2C)oc1C 58209470 DOHHVSOXMWYZJN-UHFFFAOYSA-N 364.858 3.945 0 40 FHAB Cc1nc(SCc2noc(C(C)(C)C)n2)n(C[C@H]2CCCO2)c1C 58266623 APVOHVSEEWJCJG-CYBMUJFWSA-N 350.488 3.652 0 40 FHAB Cc1cc(CN2CCCN(C(=O)Nc3cccc4c3CCCC4)CC2)no1 58394233 JVJBCOJFQPODQF-UHFFFAOYSA-N 368.481 3.602 0 40 FHAB COC[C@@H](C)N(C)C(=O)Nc1ccc(OC)c(NC(=O)OC(C)(C)C)c1 62640022 UJALUPZOQHZNBY-GFCCVEGCSA-N 367.446 3.541 0 40 FHAB Cc1noc(C)c1COC(=O)c1c[nH]cc1-c1cnn(-c2ccccc2)c1 64094972 FWCBZHMXTVLYDJ-UHFFFAOYSA-N 362.389 3.829 0 40 FHAB Cc1cc(C)n(-c2ccc(NC(=O)N3C[C@@H](C)OC(C)(C)C3)cc2F)n1 65464395 VKCMVGDMNANVGU-CQSZACIVSA-N 360.433 3.659 0 40 FHAB C[C@@H](C(=O)NC(C)(C)c1ccccc1)n1c(S)nnc1-c1cccs1 65575548 GOANXXJHRGLLDE-LBPRGKRZSA-N 372.519 3.908 0 40 FHAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCn1c(C)csc1=O 71844313 KDVAWKRWHZTRGN-ZWKOTPCHSA-N 358.507 3.793 0 40 FHAB COc1ccc(S(=O)(=O)c2cnc3cc(F)ccc3c2Cl)cc1 72329777 SHCZMSRFCPNYNL-UHFFFAOYSA-N 351.786 3.869 0 40 FHAB CCCc1ccc(C(=O)N2CCC(n3c(=O)oc4ccccc43)CC2)o1 72347857 YPPYBSGJVICDLF-UHFFFAOYSA-N 354.406 3.617 0 40 FHAB Cn1ccnc1Sc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1 84331713 KFAJQMLQNAMIRR-SJORKVTESA-N 350.447 3.709 0 40 FHAB CC1=C(C(=O)Nc2ccccc2)C2(CCCCC2)[C@H](C(N)=S)C(=N)O1 95117510 VGWACDHPSPLTIB-HNNXBMFYSA-N 357.479 3.759 0 40 FHAB CCOc1ccc([C@@H](N)c2n[nH]c(-c3ccccc3Cl)n2)cc1OCC 95534569 UJFYCESXXJTHKV-QGZVFWFLSA-N 372.856 3.971 0 40 FHAB O=C(N[C@H]1C[C@@H]1c1cccc(Cl)c1Cl)c1cccc(-n2ccnc2)n1 96008226 JXMPOBPHEPDWRR-DOMZBBRYSA-N 373.243 3.860 0 40 FHAB COc1cccc(CN2CC[C@]3(CCN(Cc4ccc(C)s4)C3)C2=O)c1 96050659 QBRGDNOPCHCWNX-NRFANRHFSA-N 370.518 3.690 0 40 FHAB CC(C)N1CCC2(CC1)C[C@@H](COCC1CC1)N(Cc1cccnc1)C2 96219128 DTMUPLFCPIZAFK-NRFANRHFSA-N 357.542 3.573 0 40 FHAB CCNC(=O)N1CCN(Cc2cnc(-c3ccc(C(C)C)cc3)s2)CC1 96966859 WFSNKFIGHKQQFR-UHFFFAOYSA-N 372.538 3.781 0 40 FHAB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(OC(F)(F)F)cc1 105921686 PSSDIAVXEHXKPO-RWMBFGLXSA-N 371.355 3.893 0 40 FHAB CCc1nccn1[C@H]1CCCN(C(=O)COc2cccc(C(C)C)c2)C1 109678377 WUAVXEZLLADFAC-SFHVURJKSA-N 355.482 3.811 0 40 FHAB Brc1ccc(CN2CCN(C[C@@H]3C[C@@H]4C=C[C@@H]3C4)CC2)cc1 222205557 RYOUYIJYULFNQK-KURKYZTESA-N 361.327 3.779 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C 223050907 JXJUCGDPMOTPFU-OAQYLSRUSA-N 366.505 3.708 0 40 FHAB CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1 223298096 YJHIDEKPCHAVET-YTQUADARSA-N 370.522 3.616 0 40 FHAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 223663069 URQPEEVVSLCKNW-UHFFFAOYSA-N 374.462 3.549 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)CCc2ccc(OC)c(C)c2)cc1 224401824 AWZDCCIHIQBRFD-MRXNPFEDSA-N 357.450 3.529 0 40 FHAB Cc1nccn1-c1ccccc1CNC(=O)Cc1ccc(Cl)cc1F 224533523 GDHNWLOZSKFGLQ-UHFFFAOYSA-N 357.816 3.832 0 40 FHAB CCCCNC(=O)CCc1ncc(-c2cccc(Br)c2)o1 224882833 YESVGHASBRZWNK-UHFFFAOYSA-N 351.244 3.953 0 40 FHAB CCOc1ccc(C(=O)NCCOc2ccccc2Cl)cc1OCC 225065782 BWGCGXBBLQZDBK-UHFFFAOYSA-N 363.841 3.946 0 40 FHAB COc1ccccc1N1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1 225097208 MPIFOQRBXLLPTK-UHFFFAOYSA-N 364.489 3.856 0 40 FHAB Cc1ccc(C(=O)N[C@@H](C)C(C)C)cc1S(=O)(=O)Nc1ccccc1 225199761 NKMQFRHGJCRZQX-HNNXBMFYSA-N 360.479 3.570 0 40 FHAB Cc1cc(-c2nc(C)c[nH]2)nc([C@@H]2CCCCN2C(=O)c2ccccc2)n1 257257982 KRWRRSOPFGZSAU-SFHVURJKSA-N 361.449 3.851 0 40 FHAB CN(C)c1nc([C@@]2(C)CCCN(C(=O)c3ccccc3)C2)cn2cccc12 257258393 KTRGNVOUNZRXRI-QFIPXVFZSA-N 362.477 3.594 0 40 FHAB O=C(c1cccc2ncccc12)N1CCC[C@H](c2ccc3cn[nH]c3n2)C1 257314574 UXOCSFSIPIKWAX-HNNXBMFYSA-N 357.417 3.526 0 40 FHAB CCn1cc(CN2CCO[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)cn1 257328463 XFSRDMIAWCRXEO-OAQYLSRUSA-N 366.440 3.678 0 40 FHAB Cc1cc(N2CCCC[C@H]2C)nc(NC(=S)NCc2ccccc2)n1 260723446 YKOLRSOOWTYCMW-OAHLLOKOSA-N 355.511 3.650 0 40 FHAB Cn1cc([C@@H]2CCN(C(=O)Nc3nc([C@@H]4C[C@H]5CC[C@H]4C5)cs3)C2)cn1 333038844 DVEVWDNYYJTWSS-TTZDDIAXSA-N 371.510 3.802 0 40 FHAB O=C(NCc1nccnc1-c1ccco1)c1nc(-c2cccs2)cs1 390830146 JCHRKZRDNJNCRI-UHFFFAOYSA-N 368.443 3.852 0 40 FHAB COc1ccc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc1 409053535 KRMPHFGPKMVCQL-ATVHPVEESA-N 373.405 3.950 0 40 FHAB CCCNC(=O)C1CCN(C(=O)[C@@H](C)c2cccc(CC(C)C)c2)CC1 505927982 GUHTZWKHFLGKJD-KRWDZBQOSA-N 358.526 3.753 0 40 FHAB Cc1cc(NC(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2)ccc1-n1cnnn1 554380533 IOCVCPPTWIOSRT-IFXJQAMLSA-N 362.437 3.586 0 40 FHAB COc1ccc(NC(=O)c2cc(C)nn2C2CCOCC2)c2ccccc12 637614928 KOKMZEWGCFAKNV-UHFFFAOYSA-N 365.433 3.957 0 40 FHAB CC(C)Oc1ccc(N(C)C(=O)Nc2cnnn2-c2ccccc2)cc1 1678729652 KLEAITZCULWMQS-UHFFFAOYSA-N 351.410 3.723 0 40 FHAB CCC(CC)C(=O)NC[C@@H]1[C@@H](C)C[C@@H]2[C@H]1CC(=O)N2Cc1ccccc1 1775964206 WTRHWHUTRRELMK-KCUHQSDYSA-N 356.510 3.612 0 40 FHAB biogenic,in-vitro O=C(c1cc2ccccn2c1)N1CCC(c2ccc3cccnc3n2)CC1 1888921846 SBKMTARYIYESEN-UHFFFAOYSA-N 356.429 3.902 0 40 FHAB O=C(c1cccc(Cl)c1)N1CCc2c(COCC3CC3)cncc2C1 2055772961 CREIGXZZXXDVNA-UHFFFAOYSA-N 356.853 3.860 0 40 FHAB Nc1nc(CSc2nnc3sc4ccccc4n23)nc2ccccc12 12534475 ZOKBPOGBXNKNBY-UHFFFAOYSA-N 364.459 3.762 0 40 FHAB CC[C@@H](NC(=O)[C@@H](c1ccccc1)N1CCCCC1=O)c1nc(C)cs1 78621786 CNRGVXQULLABSU-SJLPKXTDSA-N 371.506 3.773 0 40 FHAB Cc1cc(C)cc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)c1 976818 VVJVUBNINUBJNE-UHFFFAOYSA-N 366.490 3.754 0 40 FHAB O=C(COC(=O)CCCc1nc2ccccc2s1)Nc1ccccc1F 3319321 MNEWTTWXVSUBHQ-UHFFFAOYSA-N 372.421 3.940 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCCOc1ccccc1 24199421 LWCQKJFXAUOUFY-HXUWFJFHSA-N 351.402 3.573 0 40 FHAB CCn1c(SCC(=O)OCc2ccc(F)cc2)nnc1-c1ccco1 4788305 SRTFRSOEPAQSHL-UHFFFAOYSA-N 361.398 3.533 0 40 FHAB O=C(CSc1ccc2ccccc2c1)CS(=O)(=O)c1ccccc1 1385775 CXQMHXLTCIAAMD-UHFFFAOYSA-N 356.468 3.975 0 40 FHAB Oc1ccc(C2=CCN(C[C@@H](O)COCc3ccccc3Cl)CC2)cc1 25062057 ZNFZVEJZNJRUAW-HXUWFJFHSA-N 373.880 3.712 0 40 FHAB CN(C)S(=O)(=O)c1ccc(C(=O)OC2CCC(C(C)(C)C)CC2)cc1 3258263 QZXODTIOGBJXRA-UHFFFAOYSA-N 367.511 3.699 0 40 FHAB Cc1c(Br)cc2c(c1C)OC[C@H](N1CCCC[C@@H]1C)C2=O 55125457 MJIALHBFRVZOGC-BONVTDFDSA-N 352.272 3.884 0 40 FHAB CCCOc1ccc(-c2csc3ncn([C@@H](C)C(=O)OC)c(=O)c23)cc1 1911964 WRWPOGBOXYVOLO-LBPRGKRZSA-N 372.446 3.648 0 40 FHAB Cc1ccc(NC(=O)C[C@H]2SC(=O)N(Cc3ccccc3)C2=O)cc1 10152167 CQQCKEPVVXFQNW-MRXNPFEDSA-N 354.431 3.588 0 40 FHAB O=C(Nc1cccc2ccccc12)N[C@H](Cc1ccccc1)C(=O)NC1CC1 58177788 ZEARMGGSDZYEPL-OAQYLSRUSA-N 373.456 3.851 0 40 FHAB Cc1ccc(C(=O)NCC(=O)Nc2nc(-c3ccccc3)cs2)s1 10275779 NDJAVNGIKVJDNT-UHFFFAOYSA-N 357.460 3.549 0 40 FHAB C[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccccc1Cl 12755248 AKVCBEZBCRBPIG-AWEZNQCLSA-N 356.853 3.887 0 40 FHAB Cc1ccc(Cn2nccc2NC(=O)c2ccc(Br)o2)cc1 28292900 CKSMRLPZMMSYGM-UHFFFAOYSA-N 360.211 3.848 0 40 FHAB Cc1cnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2)s1 36360296 KZWNMQUOJLNXKN-SECBINFHSA-N 370.261 3.750 0 40 FHAB Cc1cc(CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)no1 48354582 FDRCNRWBAMAPOG-CYBMUJFWSA-N 362.480 3.774 0 40 FHAB CCn1cc(C(=O)N[C@@H](C)c2ccccc2OC)c(=O)c2cc(C)ccc21 22234781 WXLVPFBLTZFIAB-HNNXBMFYSA-N 364.445 3.829 0 40 FHAB CC(=O)c1cc2c(cc1NC(=O)COc1cccc3ccccc13)OCO2 2633996 BAQUFOWVHVTXQJ-UHFFFAOYSA-N 363.369 3.789 0 40 FHAB CCc1ccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 12875820 OMXZVYFQFKKMCC-GFCCVEGCSA-N 367.417 3.736 0 40 FHAB CCn1ncc([C@H](C)NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)c1C 2804051 SXJSGHGFXNXBDT-JSGCOSHPSA-N 358.486 3.841 0 40 FHAB O=C(CSc1nnc(-c2ccncc2)n1C1CC1)N1CCCCCCC1 9155926 SFURLTPBMOEPFA-UHFFFAOYSA-N 371.510 3.560 0 40 FHAB C[C@@H](Sc1ncnc2ccccc12)C(=O)Nc1ccc2c(c1)OCCO2 3490712 HJDYDKCUQGCABU-GFCCVEGCSA-N 367.430 3.520 0 40 FHAB O=C1Cc2ccc(Cl)cc2N1Cc1ccc(NC(=S)NC2CC2)cc1 62700112 IPBLLYSZYLXYTM-UHFFFAOYSA-N 371.893 3.878 0 40 FHAB COc1cc(CC(=O)N[C@H](C)c2cccc(Cl)c2)cc(OC)c1OC 13063599 FSHYUKYOLRNGFT-GFCCVEGCSA-N 363.841 3.786 0 40 FHAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1-n1ccnc1 20104983 VYTAJGUNXMOHEE-SFHVURJKSA-N 369.852 4.000 0 40 FHAB Fc1ccccc1CN1CCC(N2CCN(c3ccccc3)CC2)CC1 4140878 IRZPFUUMKXVPGH-UHFFFAOYSA-N 353.485 3.612 0 40 FHAB Cc1cc(C)cc(NCCC(=O)Nc2cccc(CN3CCOCC3)c2)c1 68230056 AMFDCSFGZBUBJF-UHFFFAOYSA-N 367.493 3.576 0 40 FHAB CCCSc1nc2sc3c(c2c2nnc(S)n12)CC(C)(C)OC3 5100463 GTWWRLMAMSIKPI-UHFFFAOYSA-N 366.537 3.981 0 40 FHAB Cc1ccc2c(CC(=O)Nc3sc4c(c3C(N)=O)CCCC4)coc2c1 6450438 YGDXTZMOERVMPQ-UHFFFAOYSA-N 368.458 3.962 0 40 FHAB CC(C)Cc1ccc([C@H](C)C(=O)N2CCN(c3ccccn3)CC2)cc1 9340579 FZFHVNOYUKOSLR-SFHVURJKSA-N 351.494 3.732 0 40 FHAB Cc1csc(=O)n1CC(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 6590433 HEJSYZCMUATYIK-UHFFFAOYSA-N 373.474 3.692 0 40 FHAB C[C@H](NC(=O)COc1ccccc1F)c1ccc(Br)cc1 5559399 RWLHNRVXWZEUBP-NSHDSACASA-N 352.203 3.844 0 40 FHAB O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCc2ccccc2C1 4746291 IUAONBMJEDCALY-HXUWFJFHSA-N 352.453 3.623 0 40 FHAB C[C@H]1CCc2c(sc3nc([C@H](C)OC(=O)c4ccco4)[nH]c(=O)c23)C1 5666146 ONTJXQQTDFXBRW-UWVGGRQHSA-N 358.419 3.620 0 40 FHAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CCc1c[nH]c2ccccc12 6993631 SOLUWBOXCPVTIW-UHFFFAOYSA-N 369.852 3.851 0 40 FHAB CCCCC(=O)Nc1nc(-c2ccc3c(c2)N(C)C(=O)CO3)c(C)s1 19820103 WGNJRTWCSRJHSY-UHFFFAOYSA-N 359.451 3.602 0 40 FHAB Cc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccccc2F)cc1C 15670745 KOXNDTXIEBAROU-ZDUSSCGKSA-N 355.369 3.899 0 40 FHAB Cc1csc([C@@](O)(CC(=O)N2c3ccccc3C[C@@H]2C)C(F)(F)F)n1 67706913 KMYOSEDRMXOCTE-ZBEGNZNMSA-N 370.396 3.569 0 40 FHAB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)cc2F)[nH]1 7341992 PAOLVRTZYSZHEP-UHFFFAOYSA-N 360.389 3.789 0 40 FHAB COCCn1ccnc1[C@@H]1CN(Cc2ccsc2)Cc2ccccc21 306142720 XHJAEQKUVRQRFY-LJQANCHMSA-N 353.491 3.739 0 40 FHAB CCNc1nc(S[C@@H](C)C(=O)N2CCCCCC2)nc2ccccc12 16397705 YUSQCMAKAGDGJZ-AWEZNQCLSA-N 358.511 3.945 0 40 FHAB CC(=O)N[C@@H]1C(=O)N(CCOc2ccccc2Cl)c2c(C)cc(C)cc21 8047817 UZWZNCWSNIJEOS-SFHVURJKSA-N 372.852 3.560 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1C 8264798 GKUMWTQCYADBSD-INIZCTEOSA-N 368.433 3.583 0 40 FHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CSc1ccc(F)cc1 8349568 QZKBMDVTKSDOPW-CQSZACIVSA-N 370.453 3.718 0 40 FHAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H](C)c2cccnc2)cc1 8390184 PYSPRNBYWKFHEC-AWEZNQCLSA-N 365.433 3.685 0 40 FHAB COC(=O)c1csc(NC(=O)COc2cccc(C(F)(F)F)c2)c1 83895665 RHXUBRUIZHRHMM-UHFFFAOYSA-N 359.325 3.571 0 40 FHAB CCn1nc(C(=O)N2CCC[C@H]2CC2CCCCC2)c2ccccc2c1=O 83834485 DVQHMOAVSVODTE-KRWDZBQOSA-N 367.493 3.991 0 40 FHAB CC(=O)NC(C)(C)c1noc(-c2sc(Cc3ccc(F)cc3)nc2C)n1 71905164 VIPNAFSJILMGGQ-UHFFFAOYSA-N 374.441 3.603 0 40 FHAB COc1ccc(C(=O)OCc2csc(NC(C)=O)n2)c2ccccc12 9602229 SWBMNOYAQZDGEK-UHFFFAOYSA-N 356.403 3.620 0 40 FHAB C[C@H]1Oc2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2NC1=O 8936707 REXAIRVWWXWIOE-MRVPVSSYSA-N 351.189 3.965 0 40 FHAB Cn1c(CN2CCC[C@@H](OCc3ccccn3)C2)cc2cc(F)ccc21 72129708 KFWUVHXNCNFEMZ-HXUWFJFHSA-N 353.441 3.894 0 40 FHAB CCC[C@@H](N[C@H](C)Cc1ccc(OC)c(OC)c1)C(=O)OC(C)(C)C 95943446 CMENPTNVFKAYDT-GDBMZVCRSA-N 351.487 3.735 0 40 FHAB CC(C)(CC(=O)N1CCC[C@H]1c1cccc(Br)c1)C(=O)O 87726106 WCCFSOVXGQHHLW-ZDUSSCGKSA-N 354.244 3.614 0 40 FHAB CCn1cc(CCC(=O)NCc2csc(-c3ccccc3)n2)c(C)n1 28574929 PSMSUIRLTIAMRN-UHFFFAOYSA-N 354.479 3.584 0 40 FHAB CC(C)c1ccc(OCc2ccc(C(=O)NCCCn3ccnc3)o2)cc1 27983862 HCJGUJUUAWDXRU-UHFFFAOYSA-N 367.449 3.999 0 40 FHAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccc(Br)cc1 408708249 WJUZDNAMGVRNFS-LBPRGKRZSA-N 355.276 3.720 0 40 FHAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](CN(C)C)c2ccccc2)c1C 30499320 AMUGPCOEYUPMCG-IBGZPJMESA-N 360.523 3.501 0 40 FHAB Cc1nc2c(c(Nc3nccs3)n1)CN(C(=O)CC1CCCCC1)CC2 72380807 VBLVRDBYMMZTLS-UHFFFAOYSA-N 371.510 3.840 0 40 FHAB O=C(c1cnccn1)N1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 72349186 LZABTJUNRVKOLW-MRXNPFEDSA-N 362.408 3.698 0 40 FHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1nc(-c2ccccc2)no1 219332892 LKWTYEJAOAUJGA-SFHVURJKSA-N 365.433 3.827 0 40 FHAB Cc1cc(C)c2c(n1)sc1c(SCC(=O)N3CCCCC3)ncnc12 32071168 VOBJVVCCUIGVTC-UHFFFAOYSA-N 372.519 3.961 0 40 FHAB COc1ccc(CNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 38848868 KASBDJSNBPCSCW-SFHVURJKSA-N 372.896 3.877 0 40 FHAB COc1ccc(CNC(=O)Nc2ccc(Cl)cc2)c(OC)c1OC 47324857 RTBQVJDKFBXRPV-UHFFFAOYSA-N 350.802 3.688 0 40 FHAB O=C(c1cc(-c2ccccc2)ns1)N1CCCCC[C@@H]1c1ncon1 329931740 ATWQMMIJMISLPE-OAHLLOKOSA-N 354.435 3.951 0 40 FHAB Cc1nccn1-c1ccc(CNC(=S)Nc2ccc(F)c(F)c2)cc1 225457764 KYVAUFYFEAJBNR-UHFFFAOYSA-N 358.417 3.946 0 40 FHAB COc1ccccc1OCCNC(=O)CCCOc1ccc(Cl)cc1 224145245 MJJHNLLLZFCBQX-UHFFFAOYSA-N 363.841 3.703 0 40 FHAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)cc1 223745436 ANDWLOCCMGOCDP-ROUUACIJSA-N 351.431 3.860 0 40 FHAB COc1ccc(CN(C)S(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1 223027146 LXLKYZHBHLFDHD-UHFFFAOYSA-N 371.458 3.678 0 40 FHAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1c2c(nn1C)CSC2 85431233 GYQDGHPRNHMYNS-UHFFFAOYSA-N 356.476 3.851 0 40 FHAB CC(C)[C@H](NC(=O)c1n[nH]c2c1CCCCC2)c1nc2ccccc2[nH]1 96223642 TWXRPAGJRBXLBJ-KRWDZBQOSA-N 351.454 3.682 0 40 FHAB Cc1cc(CNC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)nc(C)n1 585081149 ATEURVNVVDLQTB-JOCHJYFZSA-N 372.472 3.951 0 40 FHAB Cc1cccc(-c2n[nH]cc2CN2CCC[C@@](CO)(c3ccccc3)C2)c1 585080712 VVPTZWGLBPVVBO-HSZRJFAPSA-N 361.489 3.911 0 40 FHAB Cc1ccc(CN2CCC[C@@H](c3ccnc(Nc4ncccn4)c3)C2)cn1 257283983 PATSDCSTPMTKOS-LJQANCHMSA-N 360.465 3.698 0 40 FHAB COc1ccc(O)c(NC(=O)[C@@H]2C[C@H]2c2csc(Br)c2)c1 528907125 QAZCJCJBFYOLTR-WDEREUQCSA-N 368.252 3.967 0 40 FHAB O=C(NC[C@@H](c1ccco1)N1CCSCC1)c1cccc2ccccc12 253394163 ANANNTODBFZNSI-IBGZPJMESA-N 366.486 3.953 0 40 FHAB CC(=O)N1CCC[C@@H](Cc2cncc(-c3cnc(CC(C)C)s3)n2)C1 257275949 NRQZFZADIPDOMN-HNNXBMFYSA-N 358.511 3.600 0 40 FHAB CCn1nccc1[C@@H]1OCCC[C@H]1CN1CCC[C@H]1c1nc(C)cs1 667571809 CSSYASGFFOOHLC-RYQLBKOJSA-N 360.527 3.973 0 40 FHAB CCCSCc1nnc2sc(-c3ccc(OC)cc3OC)nn12 1772491273 MGVPBJIZJUVDIJ-UHFFFAOYSA-N 350.469 3.513 0 40 FHAB C[C@H]1C[C@@H](n2cc([C@@H](N[C@H]3C[C@@H](CO)C3)C(F)(F)F)cn2)CC[C@H]1C 1775985452 HKIMFACWMYVDFY-GLKQTYBESA-N 359.436 3.844 0 40 FHAB COc1cc(C(=O)[C@H](Br)CBr)ccc1Cl 394503515 DCVBQNJASLFNJZ-SSDOTTSWSA-N 356.441 3.690 0 40 FHAB O=C(NCc1ccsc1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 67059867 AHAKCMZZXYRILT-HNNXBMFYSA-N 354.834 3.824 0 40 FHAB O=C(COCc1ccccc1Cl)Nc1cccc(N2CCCC2=O)c1 44355563 NQBBAXZPRGBKDS-UHFFFAOYSA-N 358.825 3.622 0 40 FHAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(N2CCOCC2)cc1 1032997 SSVXTBIWZSZQKW-UHFFFAOYSA-N 363.417 3.739 0 40 FHAB CCCc1cc(=O)[nH]c(SCc2cc(=O)oc3cc(C)c(C)cc23)n1 11443450 TYHGJMHHNCCRAI-UHFFFAOYSA-N 356.447 3.738 0 40 FHAB CC(C)c1cccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1 11869615 YDBCLMHKRWUZEY-UHFFFAOYSA-N 358.463 3.503 0 40 FHAB CCc1cccc(C)c1NC(=O)c1ccc(N(C)S(=O)(=O)CC)cc1 14400763 WWKGOMDFDGXMOE-UHFFFAOYSA-N 360.479 3.596 0 40 FHAB CC[C@@H]1c2ccsc2CCN1C(=O)COc1ccc2ccc(=O)oc2c1 16778520 DJOGKWLMVODJAE-MRXNPFEDSA-N 369.442 3.769 0 40 FHAB CCOc1ccccc1CN1CCC[C@H](c2nn(C)c3ncccc23)C1 19520174 HQWVIHUPBZGVGY-KRWDZBQOSA-N 350.466 3.747 0 40 FHAB Cc1ccc(-c2cc(C(=O)N3CC[C@@](O)(c4ccc(C)cc4)C3)no2)cc1 19715044 FHVYZIQTQVGGDG-QFIPXVFZSA-N 362.429 3.692 0 40 FHAB COC(=O)C(=C/c1ccc(OC)cc1)/C(C(=O)O)=C(/C)c1ccccc1 1630590 ZDZQBUYPFIHYOD-JIBZRZDWSA-N 352.386 3.810 0 40 FHAB Nc1cc(S)n2nc(-c3ccc(Cl)cc3)c(Br)c2n1 5579557 JMGGZDCNURCVQF-UHFFFAOYSA-N 355.648 3.683 0 40 FHAB Cc1nc(Cc2ccccc2)sc1C(=O)N[C@H]1CCCc2nn(C)cc21 512849627 OXZZANIKBBNMME-INIZCTEOSA-N 366.490 3.583 0 40 FHAB O=S(=O)(NC[C@@H](O)c1cccc2ccccc12)c1sccc1Cl 1664379130 PUWGQAAHRUSBCP-OAHLLOKOSA-N 367.879 3.567 0 40 FHAB CCc1cccc(NC(=O)[C@@H](NC(=O)c2ccc(OC)cc2)C(C)C)c1 6543857 PBHMVRNXKCWZFL-IBGZPJMESA-N 354.450 3.651 0 40 FHAB Cc1ccc(C)c(N2C(=O)N(CC3CC3)c3ccccc3S2(=O)=O)c1 1889090933 LIMNQXQLHVLMIQ-UHFFFAOYSA-N 356.447 3.849 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cc(F)ccc2F)c(Br)c1 8106149 TVAYNZDMXBUERH-UHFFFAOYSA-N 362.195 3.837 0 40 FHAB CCOc1ccccc1NC(=O)CSc1ccc(-c2ccco2)nn1 4357786 ORFRYRQRUGAYHN-UHFFFAOYSA-N 355.419 3.866 0 40 FHAB CCC(=O)N1CCCc2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc21 17248067 MHFHJQDJDMOAJT-UHFFFAOYSA-N 368.433 3.645 0 40 FHAB Cc1cccc(NC(=O)CN2CCN(c3cccc(Cl)c3)C2=O)c1C 49026210 WDKKUFHVMRTJID-UHFFFAOYSA-N 357.841 3.838 0 40 FHAB O=C1NC(=O)c2cc(NC(=O)c3sc4ccccc4c3Cl)ccc21 4263874 QBNPNOINJVBCTG-UHFFFAOYSA-N 356.790 3.691 0 40 FHAB Cc1nc(S(=O)(=O)Cc2cc(-c3ccccc3)on2)n(CC(C)C)c1C 40152218 CYRZCFHEJQSHAE-UHFFFAOYSA-N 373.478 3.785 0 40 FHAB CCc1nc(NC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)sc1C 40118936 ZDNDKLXQLLIIDH-MRXNPFEDSA-N 359.495 3.715 0 40 FHAB Cc1nc(-c2ccc3c(c2)N(Cc2c(C)noc2C)C(=O)CO3)cs1 20162608 CZYPAWLCNJUYKQ-UHFFFAOYSA-N 355.419 3.649 0 40 FHAB COc1cc(NC(=O)c2ccc(Cn3ccnc3)cc2)c(OC)cc1Cl 30942774 UJNKUNQRZGBAPT-UHFFFAOYSA-N 371.824 3.854 0 40 FHAB Cc1ccc(-c2cc(C(=O)N3CCN(C)CC3)c3ccccc3n2)s1 20407530 CZHMWEHLZHATJY-UHFFFAOYSA-N 351.475 3.659 0 40 FHAB Cc1ccc(O)c(/C(=C\C(=O)O)C[P@](=O)(O)CCc2ccccc2)c1 32123787 DTXBUZQCAJVSQP-VBKFSLOCSA-N 360.346 3.682 0 40 FHAB biogenic CCc1ccc(N(CC(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)cc1 664504 NDZAUMPKRHTBPP-UHFFFAOYSA-N 374.506 3.777 0 40 FHAB COC(=O)c1ccc(C)c(OC(=O)c2cc(F)c(Cl)nc2Cl)c1 632953 SOOJVJKNRDDESI-UHFFFAOYSA-N 358.152 3.842 0 40 FHAB COc1ccc(-c2cnc(NCc3cccc(OC)c3OC)n2C)cc1 819118 OWAXPPNTLXXGFW-UHFFFAOYSA-N 353.422 3.725 0 40 FHAB CC(=O)c1ccc(N2CCN(Cc3nc4ccccc4s3)CC2)cc1 23814216 HCJSLAWHDYFCFZ-UHFFFAOYSA-N 351.475 3.821 0 40 FHAB COc1ccc(C(=O)[C@@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1 4286711 FIBZZCQNYGUTDY-CQSZACIVSA-N 351.402 3.924 0 40 FHAB O=S(=O)(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1 6052342 KRAFDHZRVRSSFJ-UHFFFAOYSA-N 355.444 3.864 0 40 FHAB O=C(/C=C/c1cccc(Cl)c1)N1CCC(C(=O)N2CCCCCC2)CC1 6987330 KCHSNPYFHJBSEE-CMDGGOBGSA-N 374.912 3.994 0 40 FHAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 7304640 NOJRQCOIFJITTJ-UHFFFAOYSA-N 373.808 3.609 0 40 FHAB O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc2c(c1)OCCO2 7598696 YAFHYLZRTXXCAN-UHFFFAOYSA-N 352.415 3.763 0 40 FHAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1nn(-c2ccccc2)c2c1CCC2 12544412 HNHMNTGNWSTAIN-UHFFFAOYSA-N 371.444 3.510 0 40 FHAB CCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc(OC)cc1 10111064 TZBQMIWPCXTPMF-MRXNPFEDSA-N 357.450 3.610 0 40 FHAB O=C(c1ccc(F)cc1)c1oc2ccccc2c1NC(=O)[C@H]1CCCO1 61997248 NWMOKLMWGFCSNN-MRXNPFEDSA-N 353.349 3.920 0 40 FHAB CNC(=O)[C@H]1Cc2ccccc2N1C(=O)C(c1ccccc1)c1ccccc1 10255934 GXKNBLSFXZKNCN-OAQYLSRUSA-N 370.452 3.522 0 40 FHAB Cc1nnnn1-c1cccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2)c1 58896587 ZGFRANQQRKXREN-LLVKDONJSA-N 356.817 3.507 0 40 FHAB COc1cc(OC)c(NC(=O)CNc2cc(F)cc(F)c2)cc1Cl 10630443 IEJBCKIQQNNWCV-UHFFFAOYSA-N 356.756 3.686 0 40 FHAB Cc1cc(C)n2c(SCC(=O)Nc3ccc4ccccc4c3)nnc2n1 3221048 RAGBTVQBBXWCKP-UHFFFAOYSA-N 363.446 3.625 0 40 FHAB C/C(=N\Nc1ncnc2c1cnn2-c1ccccc1)c1cccc([N+](=O)[O-])c1 43977415 HWUNVEXQGBJOSE-YDZHTSKRSA-N 373.376 3.560 0 40 FHAB COc1ccc(CN[C@H](c2ccc3c(c2)OCCO3)C(C)C)c(OC)c1 26312441 OPLDRYZKAFVFCM-NRFANRHFSA-N 357.450 3.962 0 40 FHAB Cc1nc(-c2ccc(CNC(=O)c3c(C)nn(C)c3Cl)cc2)cs1 48252930 KXMWXRAJFVOJHP-UHFFFAOYSA-N 360.870 3.744 0 40 FHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1ccc(-n2cccn2)cc1 27541789 RMXAATIYJQJYQM-QGZVFWFLSA-N 358.449 3.646 0 40 FHAB COc1ccc(N2C(=O)S/C(=C\c3cnc4ccccc4n3)C2=O)cc1 54361204 VHFVOSYSTZBAMJ-YVLHZVERSA-N 363.398 3.879 0 40 FHAB COC[C@H](C)n1c(SCCc2ccccc2)nc2ccccc2c1=O 12780548 XCHGEDNOLJWQPH-HNNXBMFYSA-N 354.475 3.939 0 40 FHAB CC(=O)[C@@]1(C)[C@H]2[C@@H]3CC[C@H]4O[C@H]5O[C@@H]6CC[C@@H]7[C@H]6[C@H]1[C@H]1[C@H]2[C@@H]([C@H]34)[C@]5(C)[C@@H]71 104294563 RCDJTDHAGCPXDZ-BTODZDFUSA-N 354.490 3.516 0 40 FHAB Cc1oc(-c2ccccc2)cc1C(=O)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 2136998 ROMRZCLBMNAWCR-SJLPKXTDSA-N 374.440 3.676 0 40 FHAB biogenic C[C@@H](NC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1Br 12772416 RYFGTERUHSWTDD-LLVKDONJSA-N 371.234 3.782 0 40 FHAB COC(=O)CCCCCNC(=O)[C@H](SCc1ccccc1)C(C)C 58355488 IXGRWJSRDXDGRQ-GOSISDBHSA-N 351.512 3.794 0 40 FHAB CCOC(=O)[C@H]1CCCN(Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)C1 3347156 IQQGGSNCZZANSZ-INIZCTEOSA-N 371.477 4.000 0 40 FHAB COc1ccc(OC)c(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 10545741 CVEJQCRAAVBJJH-CQSZACIVSA-N 365.433 3.600 0 40 FHAB O=c1oc(-c2cccs2)nn1Cc1ncc(-c2cccc(Cl)c2)o1 28189813 ACFCSZBASURWNJ-UHFFFAOYSA-N 359.794 3.922 0 40 FHAB c1ccc2c(c1)OC[C@H](CNc1ncnc3sc4c(c13)CCCC4)O2 3341684 TXWNDYKLIGUAGZ-LBPRGKRZSA-N 353.447 3.822 0 40 FHAB CCCCOc1ccccc1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 28289202 OXBFEAWDUIVZLG-CYBMUJFWSA-N 354.406 3.837 0 40 FHAB O=C(Nc1nc[nH]n1)c1ccccc1Oc1cccc(Br)c1 57996913 AAHJFZJMQKYARJ-UHFFFAOYSA-N 359.183 3.612 0 40 FHAB CCOc1ccc(C(=O)NC(=S)Nc2cccnc2Cl)cc1Cl 57315844 MYDBGDAAOZSNOW-UHFFFAOYSA-N 370.261 3.914 0 40 FHAB C[C@H]1CN(C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21 58902389 SWBVOZQIUFVRMU-LBPRGKRZSA-N 362.351 3.586 0 40 FHAB CN(Cc1ccc(F)cc1F)C(=O)COc1cccc2c1OC(C)(C)C2 84673798 FLYQWYISXVNLEV-UHFFFAOYSA-N 361.388 3.716 0 40 FHAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NCCc1ccccc1 36866256 PTGGRQKTQMCICX-JOCHJYFZSA-N 372.468 3.907 0 40 FHAB COc1ccccc1CNC(=O)[C@H](C)N(C)Cc1ccc2ccccc2c1 12886874 KGKOEUJACMCLSY-KRWDZBQOSA-N 362.473 3.985 0 40 FHAB C[C@H]1CN(C(=O)Nc2ccccc2F)CCN1C(=O)Nc1ccccc1F 2652814 ZPVHIGODLIQNLC-ZDUSSCGKSA-N 374.391 3.735 0 40 FHAB COc1cc(NC(=O)[C@](F)(Cl)C(F)(F)F)c(OC)cc1Cl 2751813 NBLGHNDAGNHFQJ-SNVBAGLBSA-N 350.095 3.763 0 40 FHAB CCC[C@H]1NC(=O)N(CN(C)[C@@H](c2ccccc2)c2ccc(F)cc2)C1=O 12815681 QLZNOLZVSRRYIY-MOPGFXCFSA-N 369.440 3.525 0 40 FHAB CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1nonc1N 9189877 FDADTBNPMMOXMS-UHFFFAOYSA-N 371.253 3.529 0 40 FHAB Cc1ccc(-n2c(SC[C@@H]3CCCO3)nc3ccccc3c2=O)cc1 6032939 UVLWJMCCQYBHLT-INIZCTEOSA-N 352.459 3.965 0 40 FHAB O=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N1C[C@@H]2CCCCC[C@H]21 95409227 OUUWMXBDCMQJKW-QFBILLFUSA-N 361.507 3.808 0 40 FHAB c1cncc(CN2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 306137932 RKGNRFLJMRVDNS-FQEVSTJZSA-N 370.460 3.566 0 40 FHAB C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1csc(-c3cccs3)n1)C2=O 9366074 XBTMPIDIWIDENC-PIGZYNQJSA-N 361.492 3.872 0 40 FHAB CCc1ccccc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)CC 20448991 RCKHHMAHYZMXAO-AWEZNQCLSA-N 372.490 3.602 0 40 FHAB COc1ccc(N2C[C@@H](c3nc(-c4ccccc4)no3)CC2=O)cc1Cl 9320901 HFEAAZPTMKCCJJ-ZDUSSCGKSA-N 369.808 3.919 0 40 FHAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cccc(C[S@](C)=O)c1 65565952 IZBKBXAYXORJOH-IYJVBRSBSA-N 366.486 3.806 0 40 FHAB CCCCc1ccc(Nc2nnc(SCC(=O)NC3CC3)s2)cc1 6650618 SOFXMOYQHIWYRV-UHFFFAOYSA-N 362.524 3.995 0 40 FHAB O=C1N/C(=C\c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccc(F)cc1 4702407 AZFIQMYWQMFBHH-DHDCSXOGSA-N 364.298 3.937 0 40 FHAB Nn1c(SCc2ccc(F)cc2Cl)nc2cc(Cl)ccc2c1=O 71768840 PXBAOSGTJMBXHQ-UHFFFAOYSA-N 370.236 3.849 0 40 FHAB Cn1ccnc1SCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 8068231 UACVDTCUPHKSRJ-MRXNPFEDSA-N 361.467 3.619 0 40 FHAB CCOc1ccc(CN(C)C(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 18074324 SIZLYNPYKVCSSG-GOSISDBHSA-N 370.474 3.547 0 40 FHAB CN(Cc1ccc(Br)s1)c1nccc(C(F)(F)F)n1 69951231 MUICWFRVRUAQCX-UHFFFAOYSA-N 352.179 3.956 0 40 FHAB C[C@H]1CCCCN1Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 8745267 ROIPHKMPAYOVBG-NSHDSACASA-N 350.875 3.818 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)OC2CCCCCCC2)no1 70735328 NCYJNKVPWSFFPW-CYBMUJFWSA-N 354.472 3.699 0 40 FHAB c1ccc2c(c1)OC[C@@H](c1nnc(SCc3cn4ccccc4n3)o1)O2 9885093 AJEJNDLADKKVSU-HNNXBMFYSA-N 366.402 3.522 0 40 FHAB CC[C@H](C[C@@H](C)CO)NC(=O)C(C)(C)c1ccc(Br)cc1 89942972 JXGOHLUMESZQTG-IUODEOHRSA-N 356.304 3.640 0 40 FHAB O=C(Nc1ccc(Br)cc1F)c1c[nH]c2ccccc2c1=O 22233915 NACCNIYRTUIXFR-UHFFFAOYSA-N 361.170 3.682 0 40 FHAB C[C@H](NC(=O)c1ccc(Cl)cc1)[C@H](c1ccccc1)N1CCOCC1 25329482 OBNKGUWRXYIFFA-HNAYVOBHSA-N 358.869 3.532 0 40 FHAB CN1C(=O)N/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C1=O 409191900 PWMBMTOYHPJKJU-CPNJWEJPSA-N 358.397 3.941 0 40 FHAB CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 36393670 QKEYYQKAVDTWOK-CQSZACIVSA-N 374.462 3.862 0 40 FHAB CCN(CC)C(=O)Oc1cccc(I)c1Cl 34504853 UZLXXWLIMASULG-UHFFFAOYSA-N 353.587 3.785 0 40 FHAB CCOC(=O)CCCCCCC(=O)c1ccccc1CN1CCOCC1 43211515 IMPAMVWJDLXZSK-UHFFFAOYSA-N 361.482 3.605 0 40 FHAB COC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 222903882 YKMJVJYYTMBVKM-AWEZNQCLSA-N 353.418 3.758 0 40 FHAB O=C(NCC1(O)Cc2ccccc2C1)C1(c2ccc(Cl)cc2)CCCC1 225715389 GVOHUKFAAAJOIK-UHFFFAOYSA-N 369.892 3.798 0 40 FHAB Cc1cccc(NC(=S)N2CCN(C3CCSCC3)CC2)c1Cl 225215858 LCKXNELIROEQFJ-UHFFFAOYSA-N 369.987 3.858 0 40 FHAB COCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c(C)n1 225859403 IVSOFKVIUQSNJK-UHFFFAOYSA-N 354.450 3.866 0 40 FHAB CC(=O)N(c1nc(C)c(C(=O)Nc2ncc(C)s2)s1)C1CCCC1 44918013 ZVVYHGGMWMQYHU-UHFFFAOYSA-N 364.496 3.764 0 40 FHAB CCOc1ccc(-c2nc(NC(=O)C(C)(C)C)sc2CC(=O)O)cc1 85397417 DKAHNZZGNQTZIT-UHFFFAOYSA-N 362.451 3.821 0 40 FHAB O=C(CSc1ccc(F)cc1)OC1CN(c2nc3ccccc3s2)C1 77200627 XPDQQMQGIHPMCT-UHFFFAOYSA-N 374.462 3.960 0 40 FHAB COC(=O)c1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)cc1 40268062 SFRLTGBKBVYXAH-MRXNPFEDSA-N 365.364 3.922 0 40 FHAB Oc1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc[nH]1 224859918 XJBPTTKFMYUWKA-IAGOWNOFSA-N 370.865 3.946 0 40 FHAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 222823133 ZMAUILMZEFYHJZ-MOPGFXCFSA-N 366.490 3.905 0 40 FHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1cccc(C)c1 222756704 ZRSCEZVNJCOZEC-SFHVURJKSA-N 355.434 3.801 0 40 FHAB O=C(O)CN(CCc1ccccc1)C(=O)c1ccc(Cl)cc1Cl 225317660 USAMZLVLZAWONM-UHFFFAOYSA-N 352.217 3.763 0 40 FHAB CCOC(=O)c1cc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)ccc1OC 225831720 NSUSUDDBDMIZBG-XOBRGWDASA-N 363.454 3.796 0 40 FHAB CCN(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1cc(C)ccc1C 225933091 IZSVPXDVVAZGOX-UHFFFAOYSA-N 374.506 3.570 0 40 FHAB CN(C)c1cc(C(F)(F)F)cc(-c2cccc(-c3ccnc(N)n3)c2)n1 91695722 YGOQJSYMSLWEJF-UHFFFAOYSA-N 359.355 3.873 0 40 FHAB Cc1ccc(CN2CCC3(CC2)CN(Cc2ccccc2)CCO3)s1 96048952 OJFPOTPCAVGNTJ-UHFFFAOYSA-N 356.535 3.924 0 40 FHAB Cc1ncc2c(n1)[C@]1(CCN(Cc3ccc(C(C)(C)C)cc3)C1)COC2 248192751 MMLLWKAZPNHEDR-QFIPXVFZSA-N 351.494 3.756 0 40 FHAB Cc1scc(CN2CCC(=O)N(C[C@H]3CCCC3(F)F)C2=O)c1C 1775997208 YALJAXPOIVZUDU-CQSZACIVSA-N 356.438 3.955 0 40 FHAB O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(Br)s1 3907377 LESYDUKETSWYKA-UHFFFAOYSA-N 352.662 3.965 0 40 FHAB CC(C)(C)OC(=O)N[C@H]1CCCN(c2c(F)c(F)c(F)c(F)c2F)C1 96011540 RVDIOSUQWMMYCR-QMMMGPOBSA-N 366.330 3.876 0 40 FHAB COc1cccc(NC(=O)CCCCCn2cnc3ccccc3c2=O)c1 5324999 ZEXHGXIBRSDGIS-UHFFFAOYSA-N 365.433 3.604 0 40 FHAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NC[C@H]3CCCO3)c2n1 5732685 LRJUFHPIXXMDIX-LLVKDONJSA-N 369.248 3.524 0 40 FHAB Cc1ccsc1CN(Cc1cncn1Cc1ccccc1)C[C@@H](C)O 12143703 SVOUFNSZOJISGA-QGZVFWFLSA-N 355.507 3.684 0 40 FHAB Cc1ccc2n1CCN(C(=O)c1cccc(N3CCCC3=O)c1)[C@H]2C(C)C 12325602 YQAAOEFVNFOTPG-NRFANRHFSA-N 365.477 3.776 0 40 FHAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 14001680 SHNFXMZMUYCVNT-HNNXBMFYSA-N 354.450 3.929 0 40 FHAB Cc1ccccc1/C=C/C(=O)N1CCC(C(=O)Nc2ccccc2O)CC1 16112325 BHTZOEAQJXDPTI-ZHACJKMWSA-N 364.445 3.591 0 40 FHAB Cc1ccc(NC(=O)CSc2nc(=O)c3c(C)c(C)sc3[nH]2)c(C)c1 17751646 SFEMVSQTENOCEI-UHFFFAOYSA-N 373.503 3.949 0 40 FHAB CC(C)[C@@H](NC(=O)c1cc(C2CC2)on1)c1ccc2c(c1)OCCCO2 19445823 ZJZHKPPUUPVFHC-LJQANCHMSA-N 356.422 3.840 0 40 FHAB Cc1cc(-c2ccccc2)cc(C2CCN(C(=O)c3cnn(C)c3)CC2)n1 19691420 PVUOVNPCICHWLC-UHFFFAOYSA-N 360.461 3.810 0 40 FHAB O=C(O)COc1ccccc1/C=C1\N=C(c2ccc3ccccc3c2)OC1=O 8179778 RIXSNNMPFQRKDU-PDGQHHTCSA-N 373.364 3.648 0 40 FHAB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1ccccc1 6348330 JOKQAJOBZQUYSZ-UNOMPAQXSA-N 361.397 3.766 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(F)cc2)cc1 35289404 FLCLCQNFCPRISN-GOSISDBHSA-N 369.396 3.663 0 40 FHAB C[C@H](O)CNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 5527844 FBPXXPDKESCXIE-AWEZNQCLSA-N 368.458 3.598 0 40 FHAB O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cc(O)ccc1Cl 516941722 TUIMGRPWXDHUEY-JTQLQIEISA-N 369.223 3.847 0 40 FHAB CCOc1ccc(CC(=O)Nc2c3c(nn2C(C)(C)C)CSC3)cc1 4341913 XIXMXSBHVKFAHE-UHFFFAOYSA-N 359.495 3.965 0 40 FHAB O=C(COc1ccc(F)cc1Cl)N1CCc2[nH]c3ccccc3c2C1 9901988 HYWRBPRMKHFICU-UHFFFAOYSA-N 358.800 3.924 0 40 FHAB CC[C@H](C)[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)C(=O)OC 8987883 DFYIURJXERYZEU-KXBFYZLASA-N 355.434 3.583 0 40 FHAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@](O)(COc2ccccc2)CC1 2037912990 JLKZGDRQYJDWBK-JOCHJYFZSA-N 364.445 3.604 0 40 FHAB CCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)O[C@H]1CCC[C@H](C)C1 823504 BDOHNOAWXFPNGF-ZUEVXXBESA-N 372.465 3.835 0 40 FHAB COc1ccc2cc(CCNC(=O)CCC3CCCCC3)c(=O)[nH]c2c1 3911782 WKKMUGHAHJFRAF-UHFFFAOYSA-N 356.466 3.556 0 40 FHAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCO[C@H](c2ccccc2)C1 12441581 KXWSQPKZXVTZPD-HNNXBMFYSA-N 372.273 3.756 0 40 FHAB O=C(NCCn1nc(C2CC2)cc1C1CC1)c1nc2ccccc2s1 585299989 FFLCKBXOLPECKE-UHFFFAOYSA-N 352.463 3.678 0 40 FHAB COc1cc(/C=C2/SC(=O)N(c3ccccc3OC)C2=O)ccc1O 16695961 RDHSODZLCYKYCY-MHWRWJLKSA-N 357.387 3.650 0 40 FHAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@H]1CCCN(c2cnccn2)C1 40063387 RPHKTKVCHLTNEZ-SFHVURJKSA-N 366.509 3.649 0 40 FHAB COC(=O)C1CCN(C(=O)c2sc3cc(F)ccc3c2Cl)CC1 40160217 JPXFOMDULKJOSG-UHFFFAOYSA-N 355.818 3.719 0 40 FHAB CC(=O)N(c1nc(C)c(C(=O)Nc2nc(C)c(C)s2)s1)C(C)C 40268138 SPLNTUMTZKQSSA-UHFFFAOYSA-N 352.485 3.538 0 40 FHAB O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1nnc2ccccn12 31499618 YFTJNFQNDWLJIN-LJQANCHMSA-N 373.460 3.897 0 40 FHAB CC(C)(C)c1nc2cc(NC(=O)CN3CCCCCCC3=O)ccc2o1 52641989 QYNUZXWNBRHDKT-UHFFFAOYSA-N 357.454 3.857 0 40 FHAB Fc1cc(CCNc2ncnc3sc4c(c23)CCC4)c2c(c1)COCO2 32916254 ASTZCEXVTYIAMM-UHFFFAOYSA-N 371.437 3.840 0 40 FHAB CC(=O)Nc1sc(C)c(C)c1CN1CCN(Cc2ccccc2)CC1 22037288 NVJZBSZPMXCVBY-UHFFFAOYSA-N 357.523 3.641 0 40 FHAB CCOc1ccc(Nc2ncnc3c2cnn3-c2ccc(OC)cc2)cc1 756724 APZZJBPMPBJAAK-UHFFFAOYSA-N 361.405 3.966 0 40 FHAB O=C(NCc1ccncc1)c1sc(-n2cccc2)nc1-c1ccccc1 61717937 WMPZRKLZXOMVBI-UHFFFAOYSA-N 360.442 3.926 0 40 FHAB O=C(NCC1(c2cccc(Br)c2)CCOCC1)c1ccoc1 54319098 RDGUQFLBBGAKHC-UHFFFAOYSA-N 364.239 3.520 0 40 FHAB COc1ccc(S(=O)(=O)N2CCSc3ccncc32)c2ccccc12 79060930 LBETXNCBFNNSRF-UHFFFAOYSA-N 372.471 3.544 0 40 FHAB CCN(CC)CCOC(=O)[C@](O)(c1cccc(C)c1C)C1CCCCC1 1710834 PLNDOSVUFDEAFR-JOCHJYFZSA-N 361.526 3.956 0 40 FHAB CCOc1ccc(NC(=O)c2c3c(nc4ccccc24)CCN(C)C3)cc1 23873000 JSPVLHKUYNCMHH-UHFFFAOYSA-N 361.445 3.874 0 40 FHAB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1Cl 3253743 AKPJGNVWRXUDAQ-UHFFFAOYSA-N 368.172 3.518 0 40 FHAB COc1ccc(C)cc1[C@H](C)NC(=O)c1sc(-c2ncccn2)nc1C 55045686 RSYBKLXBQYLGMP-LBPRGKRZSA-N 368.462 3.717 0 40 FHAB CCC[C@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)NC2CCCCC2)c1 6415592 VHZQJLLEPVVERW-HNNXBMFYSA-N 366.527 3.524 0 40 FHAB CCc1ccc(OCC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 7447925 YATNWUPYWDGFAF-UHFFFAOYSA-N 366.505 3.930 0 40 FHAB CCOc1cccc2c(C)nc(Nc3ncc4c(n3)C[C@H](C)CC4=O)nc12 10157458 RKCJGTKPYNQWNT-NSHDSACASA-N 363.421 3.636 0 40 FHAB COc1ccc(NC(=O)CN(C)C(=O)CCCSc2ccccc2)cc1 8936896 PFBFRHANWNDURO-UHFFFAOYSA-N 372.490 3.665 0 40 FHAB CCOC(=O)c1ccc(S(=O)(=O)Nc2cccc3c(O)cccc23)cc1 3250442 JNRPUQUHBBIOIB-UHFFFAOYSA-N 371.414 3.523 0 40 FHAB O=C(Nc1ccc(N2CCCC2)cc1)[C@H]1CCCN1C(=O)C1CCCCC1 48215169 GGLYQUBQFPFBAV-HXUWFJFHSA-N 369.509 3.797 0 40 FHAB Cc1csc(CCNC(=O)CCc2ccc(Br)cc2F)n1 58228813 DWBLYLUIYHOVIZ-UHFFFAOYSA-N 371.275 3.645 0 40 FHAB CCn1c(SCC(=O)Nc2cccc(C)c2)nc2ccsc2c1=O 27818431 CRABCHKNYZIIJM-UHFFFAOYSA-N 359.476 3.517 0 40 FHAB Cc1noc(CNc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)n1 58325251 YDSBSIPJFMQWQV-UHFFFAOYSA-N 366.299 3.854 0 40 FHAB Cc1nccc(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)n1 58416647 TYFUOYARXHLTBF-SFHVURJKSA-N 356.429 3.828 0 40 FHAB COc1ccc(-c2n[nH]cc2CNCCCn2cnc3ccccc32)cc1 12774413 KOIXYVJYTWHFBS-UHFFFAOYSA-N 361.449 3.615 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 26529415 KMGATYLKSRTOHY-INIZCTEOSA-N 358.869 3.765 0 40 FHAB C[C@@H]1CCCCN1C(=O)CSc1nnc(NCc2ccccc2)s1 3318798 KOCPKUBTCFCWFA-CYBMUJFWSA-N 362.524 3.643 0 40 FHAB O=C(Cc1ccc2c(c1)OCCO2)N1CC=C(c2c[nH]c3ccccc23)CC1 11073220 SSSNRDLCQQRKGM-UHFFFAOYSA-N 374.440 3.798 0 40 FHAB O=C(c1sc2ccccc2c1Cl)N1CCN(c2nccs2)CC1 11187460 VRLWEJMUKRRMLJ-UHFFFAOYSA-N 363.895 3.974 0 40 FHAB CC[C@@H](C)c1ccc(NC(=O)CN2CCN(c3ccccc3O)CC2)cc1 57363709 CYCRRJRQABRYAY-QGZVFWFLSA-N 367.493 3.666 0 40 FHAB Cc1cc(NC(=O)c2cccc(OC(F)F)c2)ccc1N1CCCC1=O 11740333 SQSNKBBDQQLWPF-UHFFFAOYSA-N 360.360 3.976 0 40 FHAB O=C(CS[C@@H]1CCc2ccccc2N=C1O)NC1Cc2ccccc2C1 11865852 XTZYDNRRUWJGGV-LJQANCHMSA-N 366.486 3.606 0 40 FHAB COc1cccc(-c2nc(C(=O)NCCc3cccs3)cs2)c1OC 12825006 WLBHERFAFKGEBW-UHFFFAOYSA-N 374.487 3.861 0 40 FHAB O=C(Cc1cccs1)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 60640187 BGMCFQDLLRCAMQ-UHFFFAOYSA-N 369.471 3.938 0 40 FHAB COc1ccc(-c2nsc(NC(=O)[C@H](C)Oc3ccc(F)cc3)n2)cc1 12111420 CRHUDIKWAAMFAD-NSHDSACASA-N 373.409 3.759 0 40 FHAB Cc1noc(C)c1COc1cccc(C(=O)Nc2ccnn2C(C)C)c1 22288251 XQDGSNQGIKANKM-UHFFFAOYSA-N 354.410 3.900 0 40 FHAB S=C(Nc1cnn(Cc2ccccc2Cl)c1)n1cc(Cl)cn1 2802930 PPPSMKPUVBDFHQ-UHFFFAOYSA-N 352.250 3.680 0 40 FHAB CC(C)c1ccc(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 48780299 BGMNXNZJEONVAW-MRXNPFEDSA-N 360.523 3.911 0 40 FHAB Cn1cnnc1SCc1csc(-c2cccc(Br)c2)n1 6063630 XYMJBBSJDKWLAH-UHFFFAOYSA-N 367.297 3.993 0 40 FHAB CC(C)(C)OC(=O)N1CCN([C@H](C(=O)O)c2ccc3ccccc3c2)CC1 4241883 VCKNXQIHLAMSSE-SFHVURJKSA-N 370.449 3.518 0 40 FHAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)[C@@H]1C 6266011 LUNSEULJLQMMSX-MDZRGWNJSA-N 370.493 3.975 0 40 FHAB Cc1cc(C)nc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)n1 6255644 IFDAAALELMHDIF-UHFFFAOYSA-N 356.495 3.815 0 40 FHAB Cn1c(CCN2CCCC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21 5206978 LPKRUTKBQOXDBB-UHFFFAOYSA-N 366.440 3.603 0 40 FHAB Cc1cc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2F)c2ccccc2n1 5357287 UMIZEUBVZRBGNZ-UHFFFAOYSA-N 374.318 3.756 0 40 FHAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cc(F)cc(N2CCCC2)c1 65624667 HMZGYCNKBDRGML-GQCTYLIASA-N 354.381 3.807 0 40 FHAB Fc1ccc(-c2cnc(Cn3nnc(-c4ccc(Cl)cc4)n3)o2)cc1 14238568 VBPWCOBBQLGXMX-UHFFFAOYSA-N 355.760 3.836 0 40 FHAB O=C(c1ccc(SC(F)(F)F)cc1)N1CCN(c2ccccn2)CC1 14226932 JCJWNVYJGUDANE-UHFFFAOYSA-N 367.396 3.656 0 40 FHAB CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)NCc2ccccn2)cc1 4675956 RBIQRYNENAQCOU-INIZCTEOSA-N 353.466 3.876 0 40 FHAB O=S(=O)(c1cccs1)N1CCc2nc(-c3ccccc3)sc2C1 6661431 UOVFKPYCKJWMET-UHFFFAOYSA-N 362.501 3.619 0 40 FHAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)Nc3nnc(C)s3)c2C)cc1 14715168 VFBBHKYGITZEBO-MDZDMXLPSA-N 367.478 3.668 0 40 FHAB CCOC(=O)c1cnc2ccc(I)cc2c1Cl 5651765 PJJMPIMYGDXLRF-UHFFFAOYSA-N 361.566 3.670 0 40 FHAB Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CCCC(=O)O 5721377 IYWSHDGXQHABLQ-UHFFFAOYSA-N 354.233 3.919 0 40 FHAB Cc1ccccc1-c1nnn(Cc2ccc(C(=O)Nc3ccccc3)cc2)n1 4956776 QUCQADXLHJAICG-UHFFFAOYSA-N 369.428 3.949 0 40 FHAB O=C(CCc1ccco1)Nc1cccc(-c2nnc3n2CCCCC3)c1 9449591 BJIBYIWQDYNBIL-UHFFFAOYSA-N 350.422 3.836 0 40 FHAB CCNc1nnc(SCC(=O)N[C@H](C)c2cc3ccccc3o2)s1 7248957 YYXDNYDSCVOABT-SNVBAGLBSA-N 362.480 3.686 0 40 FHAB CCCNC(=O)CSc1nnc(SCc2cccc(C)c2)s1 7290262 PIDUUGZKVXVZGE-UHFFFAOYSA-N 353.538 3.757 0 40 FHAB O=C(COC(=O)c1cc(F)c(Cl)cc1Cl)c1ccc2c(c1)OCO2 7551845 ZAWBTNRVDPHUQM-UHFFFAOYSA-N 371.147 3.901 0 40 FHAB CC[C@H](C)[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1 7843195 GRMGTYBTOHQXON-HNAYVOBHSA-N 374.506 3.705 0 40 FHAB COCc1c(C(=O)Nc2ccc(N(C)C)cn2)sc2cccc(F)c12 68805118 PFRLUIQWKFBOOT-UHFFFAOYSA-N 359.426 3.900 0 40 FHAB COC(=O)c1c(NC(=O)Cc2c[nH]c3ccccc23)sc2c1CCC2 83891623 KLVNVAXYLQAJFB-UHFFFAOYSA-N 354.431 3.686 0 40 FHAB CC(C)Cc1ccc([C@H](C)NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 8311968 UKCCANCCZMIOBN-HNNXBMFYSA-N 359.491 3.780 0 40 FHAB CC(=O)c1ccccc1NC(=O)COC(=O)c1oc2ccc(F)cc2c1C 8543902 XWULQLWPUCSSQB-UHFFFAOYSA-N 369.348 3.878 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)CCC(=O)c1ccc(C)cc1 8881159 MXYKZAJYLWEYJE-UHFFFAOYSA-N 354.406 3.564 0 40 FHAB COC(=O)c1ccc(F)c(NC(=O)N[C@H](C2CCCC2)C(F)(F)F)c1 95982844 XQYLWTPHARBSLD-CYBMUJFWSA-N 362.323 3.855 0 40 FHAB CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1 46544697 TUZBYXUUCZZIRW-KRWDZBQOSA-N 366.461 3.812 0 40 FHAB CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)N(C)C1=S 409033854 GGUNGLWRJVCQTB-WJDWOHSUSA-N 372.877 3.949 0 40 FHAB Cc1cc(=NC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)[nH]n1C(C)C 521856501 NQRUFAFXAGRURR-QGZVFWFLSA-N 366.469 3.830 0 40 FHAB CSCC[C@@H](NC(=O)CCn1c(C)ccc1C)c1nc2ccccc2[nH]1 526052636 YUTMDKBTTJHQKD-GOSISDBHSA-N 370.522 3.982 0 40 FHAB COc1c(S(=O)(=O)c2ccc(Cl)cc2)cnc2cc(F)ccc12 72332517 IVSITCMBQZARMX-UHFFFAOYSA-N 351.786 3.869 0 40 FHAB Cc1ccc(-c2nc(CNC(=O)c3cccc(Br)c3)no2)cc1 33729289 WYHRZNMDAQXHMV-UHFFFAOYSA-N 372.222 3.738 0 40 FHAB O=S(=O)(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(Cl)nc1 7986837 LWYQNIWZZJEIDY-OAHLLOKOSA-N 357.262 3.818 0 40 FHAB Cc1nn(-c2ccc(O)nn2)c2c1[C@H](c1ccc(F)cc1Cl)CC(O)=N2 31819981 QHHLDUMKDBUOAU-NSHDSACASA-N 373.775 3.592 0 40 FHAB CCOc1ccc2c(c1)cc(C(=O)Nc1ccc3c(c1)OCCO3)n2C 35476047 QZHFOBIASJQMPM-UHFFFAOYSA-N 352.390 3.601 0 40 FHAB CC[C@H](Oc1ccccc1OC)C(=O)NCCCc1ccc(OC)cc1 219558026 DYRCQKUUWHAIOD-SFHVURJKSA-N 357.450 3.610 0 40 FHAB C[C@@H](NC(=O)c1ccc2c(c1)OCCCO2)c1ccc2c(c1)OCCCO2 32281645 TZOYOAWMCFKLGD-CQSZACIVSA-N 369.417 3.500 0 40 FHAB CC[C@H](Oc1cccc(C)c1)C(=O)NCc1nc(-c2cccc(C)c2)no1 219318824 WMYIAZZOYCMPLQ-SFHVURJKSA-N 365.433 3.827 0 40 FHAB CCC(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(=O)NC)CC1 72345171 FSKIVNBYJWKEDV-UHFFFAOYSA-N 370.518 3.722 0 40 FHAB Fc1cccc(CN2CCC[C@@H](c3nnc(-c4ccncc4)o3)C2)c1F 72389966 GONSLVPZOVYTCP-OAHLLOKOSA-N 356.376 3.789 0 40 FHAB Cc1nc2nc(SCC(=O)N(c3ccccc3)C(C)C)nn2c(C)c1C 40119230 PZPLNQOKQKUTID-UHFFFAOYSA-N 369.494 3.583 0 40 FHAB CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)n1nnc2ccccc21 41091896 XQQDQQWIIDMSBY-UHFFFAOYSA-N 373.478 3.755 0 40 FHAB CCCSc1nnc(NC(=O)CCCOc2ccc(OC)cc2)s1 40990434 DVWOBHZFKVKRLX-UHFFFAOYSA-N 367.496 3.847 0 40 FHAB CCOc1ccc(CCC(=O)Nc2nnc(-c3cccnc3)s2)cc1 40311751 XZAUXTDHFXCVRM-UHFFFAOYSA-N 354.435 3.570 0 40 FHAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1Cl 44899918 DFYHANLOXCNBSR-UHFFFAOYSA-N 359.234 3.617 0 40 FHAB C[C@H]1CN(Cc2csc(NC(=O)C[C@H]3C[C@@H]4CC[C@@H]3C4)n2)C[C@@H](C)O1 195558563 XVUHSBOELMAKFU-YIDVYQOGSA-N 363.527 3.517 0 40 FHAB Cc1cccc(OCCNC(=O)C2CCN(Cc3ccccc3F)CC2)c1 224551046 JAUGIMYFVVEKPZ-UHFFFAOYSA-N 370.468 3.541 0 40 FHAB CCCc1nnc2sc(NC(=O)CSc3ccc(Cl)cc3)nn12 41076396 RAGMTAURPHCZOH-UHFFFAOYSA-N 367.887 3.523 0 40 FHAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc3c(c2)OCCO3)cc1 225641371 PCRLWYWWDCUMLS-CQSZACIVSA-N 358.463 3.520 0 40 FHAB COC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2SC)cc1 223438237 GAEQARSEKCJPIZ-UHFFFAOYSA-N 371.867 3.649 0 40 FHAB O=C(c1ccc2cc[nH]c2c1)N1CCC(O)(c2ccc(Cl)cc2)CC1 96117410 QBADTEDOFAWEDP-UHFFFAOYSA-N 354.837 3.945 0 40 FHAB c1cncc(COC[C@H]2CC3(CCN(Cc4ccsc4)CC3)CO2)c1 96106139 ZRZSGNVTKCBVIY-LJQANCHMSA-N 358.507 3.731 0 40 FHAB O=C(c1ccc(Br)cc1)N1CCC(Oc2ccncc2)CC1 252492650 MRLWYMKYTQMNEC-UHFFFAOYSA-N 361.239 3.528 0 40 FHAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)C3CCCC3)CCO2)n1 257237104 HFEQIWFXPGTNRY-IBGZPJMESA-N 369.465 3.698 0 40 FHAB O=C(c1ccc(Cl)s1)N1CCN(C2CC2)C[C@@H]1Cc1ccccc1 85472693 RSGLJGXSEIBDHI-INIZCTEOSA-N 360.910 3.933 0 40 FHAB C[C@@H](c1ccc(C(=O)N2CCC(c3ncc[nH]3)CC2)o1)N1CCCCC1 72424368 MQWCRXGWKFPKFA-HNNXBMFYSA-N 356.470 3.569 0 40 FHAB Cc1noc(Cc2ccccc2NC(=O)CSCc2ccccc2)n1 96097046 YYIJOOPZPQHBRL-UHFFFAOYSA-N 353.447 3.841 0 40 FHAB O=C(/C=C/c1ccco1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 96119026 OWGZPWYHRXHYRU-GFUIURDCSA-N 355.419 3.811 0 40 FHAB COc1ccccc1[C@@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)OC 96384781 KUZSHJMSNGUDJY-MRXNPFEDSA-N 369.339 3.711 0 40 FHAB O[C@@H]1[C@@H](NCCc2ccc(Cl)cc2)CCC[C@H]1Oc1cccc(F)c1 585290006 PKYCIGFHTGBZKM-XUVXKRRUSA-N 363.860 3.972 0 40 FHAB CC(=O)Nc1ccc(N[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1 48375027 NBQBBNLPBQGOIX-HOTGVXAUSA-N 353.466 3.583 0 40 FHAB CC(C)N(Cc1ccccn1)C(=O)[C@H]1CC(c2ccc(Cl)s2)=NO1 55739771 OQLQJNONIPLZAR-CQSZACIVSA-N 363.870 3.727 0 40 FHAB Cn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cnccn1 2393557 MLTJCFYKGPWZKR-UHFFFAOYSA-N 352.250 3.871 0 40 FHAB O=Cc1cc(Br)ccc1OCC(=O)Nc1cccc(Cl)c1 5871754 XBNOVKAAGNZBHP-UHFFFAOYSA-N 368.614 3.933 0 40 FHAB Cc1cc(OCC(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)ccc1Cl 13126059 YCFQJZQTQOQBPP-SUYBPPKGSA-N 367.873 3.511 0 40 FHAB N=C1S/C(=C\c2ccc(Br)o2)C(=O)[C@@H]1c1nccs1 13162953 FMASUBQOTWOFME-PNNFAKIXSA-N 355.238 3.916 0 40 FHAB Cc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)C4CC4)C3)noc2n1 19568565 YUOKFIQXOBNDGY-NSHDSACASA-N 353.344 3.666 0 40 FHAB Cc1ccc([C@@H](OC(=O)c2ccco2)C(=O)NCc2ccc(F)cc2)cc1 1381040 RKLDRFSALMUNTR-LJQANCHMSA-N 367.376 3.942 0 40 FHAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H]1CCCOc2c(Cl)cccc21 678881540 LRFUKLFCKICXSL-ZBEGNZNMSA-N 361.873 3.824 0 40 FHAB CCc1cccc(NC(=O)CCc2c(C)nc3nc(SC)nn3c2C)c1 7063843 BKFDGUQFZMZYMM-UHFFFAOYSA-N 369.494 3.597 0 40 FHAB CN(c1ccccn1)C1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 1889149364 RWRIYADVONOHMQ-UHFFFAOYSA-N 361.848 3.544 0 40 FHAB O=C(Cc1ccc(F)cc1)N1CC[C@H](Oc2cccc3cccnc23)C1 244975260 IIONGCXGNNHVAB-SFHVURJKSA-N 350.393 3.596 0 40 FHAB COc1cccc2cc(C(=O)N3[C@H]4CC[C@H]3CC(n3ccnc3)C4)oc12 1565520266 LXDFNAPJGAVHLZ-GJZGRUSLSA-N 351.406 3.646 0 40 FHAB CCOc1ccc(-c2ccc(SCC(=O)NC3CCCC3)nn2)cc1 4355905 KOVJLQYVHQFEKG-UHFFFAOYSA-N 357.479 3.693 0 40 FHAB Cc1ccc(-n2ccnc(SCC(=O)Nc3cccc(C)c3)c2=O)cc1 9320435 LOPMLJZUTUFNGH-UHFFFAOYSA-N 365.458 3.580 0 40 FHAB COC(=O)N[C@H](C)c1nc2ccccc2n1CCOc1cccc(OC)c1 10381634 OKODPXXWCQFQEX-CQSZACIVSA-N 369.421 3.541 0 40 FHAB CC(C)CCNC(=O)Cc1csc(SCC(=O)c2ccccc2)n1 11694998 QYCOWGMBKFQVKP-UHFFFAOYSA-N 362.520 3.823 0 40 FHAB O=C(NC[C@H](c1cccs1)n1cccn1)c1ccccc1C(F)(F)F 575614490 URBJOLHJLUTTMB-CQSZACIVSA-N 365.380 3.983 0 40 FHAB COc1ccc(Nc2n[nH]nc2C(=O)Nc2cccc(SC)c2)cc1 38487353 JDJDTJYUYIMIKL-UHFFFAOYSA-N 355.423 3.531 0 40 FHAB C[C@H](CNC(=O)CCCc1nc2ccccc2[nH]1)N(C)c1ccccc1 40108904 AQRRRWJHTGBLND-MRXNPFEDSA-N 350.466 3.527 0 40 FHAB CC(=O)c1ccc(O[C@@H](C)C(=O)NCc2nc3ccccc3s2)cc1 30972048 WDEYOGMLUNIBIA-ZDUSSCGKSA-N 354.431 3.583 0 40 FHAB COC(=O)CS[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 21141292 VLNRMXINPHLPLN-ZETCQYMHSA-N 355.765 3.592 0 40 FHAB O=C1COc2ccc(NC(=O)c3cc(F)c(Cl)cc3Cl)cc2N1 32741119 LHKHCYDPBCVGIU-UHFFFAOYSA-N 355.152 3.716 0 40 FHAB C[C@H]1CCCCN1C(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 32945340 GCGHACWXFHXKGM-CABCVRRESA-N 368.477 3.851 0 40 FHAB C[C@H]1CCc2ccccc2N1C(=O)CSc1nccc(C(F)(F)F)n1 22614656 VZWNXLOTARMUET-NSHDSACASA-N 367.396 3.955 0 40 FHAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cccs3)n2C)c1 778516 XYCQSAMFCCUAGJ-UHFFFAOYSA-N 358.492 3.891 0 40 FHAB O=C1c2cccc3cccc(c23)N1CN1CCN(Cc2cccs2)CC1 22811306 XMIJXIIVXYZSOW-UHFFFAOYSA-N 363.486 3.637 0 40 FHAB COC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 915825 UNLLGIGANTYVRJ-CYBMUJFWSA-N 351.431 3.859 0 40 FHAB CCc1cccc(CC)c1N1C(=O)C[C@H](Sc2ccccc2N)C1=O 1045055 ICQXBWDMGFGBQD-KRWDZBQOSA-N 354.475 3.818 0 40 FHAB Fc1ccccc1N1CCN(c2ncnc3sc4c(c23)CCC4)CC1 1094851 SMLHVAUZKKPVJC-UHFFFAOYSA-N 354.454 3.646 0 40 FHAB O=S(=O)(c1ccccc1)c1cnc(-c2ccccc2)nc1N1CCCC1 1398566 URJHTGIFSKEOLE-UHFFFAOYSA-N 365.458 3.577 0 40 FHAB CCc1ccccc1NC(=O)COC(=O)c1ccc(Br)cc1 1934133 VIAQLRFGYMEGAD-UHFFFAOYSA-N 362.223 3.807 0 40 FHAB O=C(Nc1cccc(F)c1)/C(=C/c1ccco1)NC(=O)c1cccs1 2269647 JDSSEUOTSWNYGT-PTNGSMBKSA-N 356.378 3.890 0 40 FHAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCCCO 2699379 SFDJCJAKXXNEMM-UHFFFAOYSA-N 368.458 3.599 0 40 FHAB CCSc1nnc(SCC(=O)Nc2ccc3c(c2)CCC3)s1 3546060 KUDUUCZDAJWBAT-UHFFFAOYSA-N 351.522 3.870 0 40 FHAB Cn1c(SCC(=O)N2CCCCCC2)nnc1-c1ccc(Cl)cc1 4287932 XVEMJGLJOVWSKZ-UHFFFAOYSA-N 364.902 3.630 0 40 FHAB COc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc32)cc1 4305004 ZBRAZSSUZUUNKU-FQEVSTJZSA-N 362.429 3.822 0 40 FHAB COc1cccc2cc(C(=O)Nc3ccccc3Br)c(=N)oc12 4676355 ROBTYJYYTPXPMV-UHFFFAOYSA-N 373.206 3.936 0 40 FHAB COCc1c(C(=O)OCC(=O)c2ccc(F)c(F)c2)oc2ccccc12 5199476 TZCUWNGJYIXJSF-UHFFFAOYSA-N 360.312 3.897 0 40 FHAB O=C1OCC/C1=C/OCCCCCCCCCCO/C=C1\CCOC1=O 5201487 ZKODMILGLBETIF-JRDMOELTSA-N 366.454 3.802 0 40 FHAB CCOc1ccc(OCC(=O)OCc2nc(-c3ccccc3C)no2)cc1 5287090 FVHCVFUVZHNVOA-UHFFFAOYSA-N 368.389 3.566 0 40 FHAB NC1=Nc2nc3ccccc3n2[C@@H](c2ccccc2Oc2ccccc2)N1 5317956 OEAXNDHELDLRRI-IBGZPJMESA-N 355.401 3.925 0 40 FHAB CC(=O)Nc1cccc(OCC(=O)NC(c2ccccc2)c2ccccc2)c1 5460771 WTETZQQRDOMIOE-UHFFFAOYSA-N 374.440 3.930 0 40 FHAB Cc1csc(S[C@@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)n1 6053847 DZYWZQVTDLAWGI-CQSZACIVSA-N 364.467 3.904 0 40 FHAB CCOC(=O)Nc1ccc2c(CN3CCc4ccccc43)cc(=O)oc2c1 6831559 QIHAWWNTSNHSOW-UHFFFAOYSA-N 364.401 3.924 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1cccc(C)c1 6859838 HVCIHBONEZWZNT-UHFFFAOYSA-N 360.841 3.724 0 40 FHAB COC(=O)c1ccc(/C=C(\Cl)c2nc3c(C)cccc3c(=O)[nH]2)cc1 7136667 GXHHYNBBNGJZNA-GDNBJRDFSA-N 354.793 3.755 0 40 FHAB O=C(CNC(=O)c1ccc(Br)o1)Nc1cccc2ccccc12 8040530 GAXWHRIFBXHDIJ-UHFFFAOYSA-N 373.206 3.564 0 40 FHAB COc1ccc(NC(=O)CN(C)Cc2csc(-c3ccccc3)n2)cc1 8093204 IZSGBTDMUSRBEK-UHFFFAOYSA-N 367.474 3.889 0 40 FHAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc2[nH]cnc2c1 8718778 BGANKIOOGXXVJS-UHFFFAOYSA-N 362.414 3.643 0 40 FHAB O=C(Nc1nc(C(=O)N2CCc3ccccc3C2)cs1)c1ccccc1 8806803 BEQWXHJIBRCYOF-UHFFFAOYSA-N 363.442 3.594 0 40 FHAB O=C(Cc1cn(Cc2ccccc2)c2ccccc12)NCc1ccccn1 9523480 OFTQTVFNKOXMNP-UHFFFAOYSA-N 355.441 3.944 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)N1CCC[C@@H]1c1ccccc1 9955851 GJMAYUWDWAGLCF-GOSISDBHSA-N 353.418 3.640 0 40 FHAB CC(=O)Nc1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)cc1 10093749 AZPQJTGPCAMOES-UHFFFAOYSA-N 357.498 3.564 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)NCCc1ccc(-n2cccn2)cc1 10222227 WLCRQAPWHDAMMX-UHFFFAOYSA-N 358.445 3.645 0 40 FHAB O=C(C[C@H]1Nc2ccccc2OC1=O)Nc1ccc(Cl)cc1Cl 10325563 YNSLIXSUKDWUJD-CYBMUJFWSA-N 351.189 3.722 0 40 FHAB CC[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccc(Cl)cc1 10423342 FQXIOZATDKBMDN-MRXNPFEDSA-N 372.852 3.723 0 40 FHAB O=C(Cn1cc(-c2nnc(-c3ccccc3)o2)c2ccccc21)N1CCCC1 11695941 NKBVJUMHAQYJLB-UHFFFAOYSA-N 372.428 3.981 0 40 FHAB CCC[C@@H](NC(=O)c1cnc(C(C)(C)C)nc1)c1ccc2c(c1)OCCO2 12205457 QQPWILNHWIXSFJ-MRXNPFEDSA-N 369.465 3.817 0 40 FHAB O=C(c1ccc2c(c1)OCCO2)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 12221897 WVADMCLZKCQSHV-QGZVFWFLSA-N 363.417 3.702 0 40 FHAB O=C1NCCCC[C@@H]1Sc1nnc(-c2cccs2)n1-c1ccccc1 12543597 DXQQNPVLWQBLGW-HNNXBMFYSA-N 370.503 3.757 0 40 FHAB CCOC(=O)c1cc(-c2cccnc2)nc2c1c(C)nn2-c1ccccc1 12583472 HXWRGBGPZDTVJY-UHFFFAOYSA-N 358.401 3.968 0 40 FHAB Cc1ccnc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)c1 12823310 GGOXQKPIEDMQOI-UHFFFAOYSA-N 364.302 3.986 0 40 FHAB Cc1ccc(-n2nc(C)c3c2NC(=O)C[C@H]3c2ccc3c(c2)OCO3)cc1 13548876 CXSDQQBHJBVCHH-INIZCTEOSA-N 361.401 3.692 0 40 FHAB Cc1n[nH]c2c1[C@@H](c1ccc(O)cc1)N(CCc1c[nH]c3ccccc13)C2=O 13736670 SAMDAEOVUTYJBN-OAQYLSRUSA-N 372.428 3.693 0 40 FHAB Cc1ccc(-c2nnc([C@H](C)N(C)CC(=O)Nc3ccc(F)cc3)o2)cc1 14134670 PCRSWPSWAMGBQQ-AWEZNQCLSA-N 368.412 3.816 0 40 FHAB CCOc1ccc([C@@H]2CCCN2S(=O)(=O)c2cccc(C(C)=O)c2)cc1 14185646 SIEJZKNHDQFWDH-FQEVSTJZSA-N 373.474 3.814 0 40 FHAB O=c1cc(CSCc2cc(Cl)c3c(c2)OCO3)nc2sccn12 14200234 VWNBBUMHAGDMRS-UHFFFAOYSA-N 366.851 3.572 0 40 FHAB COc1ccc(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 15014141 WJEKSVHPOUOEMB-UHFFFAOYSA-N 355.365 3.936 0 40 FHAB COc1ccc(OCC(=O)Nc2ccc(C)cc2Br)cc1 15316231 DAHOMYCBGNWIBK-UHFFFAOYSA-N 350.212 3.784 0 40 FHAB C[C@H](Sc1ccccc1Br)C(=O)NC(=O)NC1CCCC1 16549055 NSAWKBNUSXPWQQ-JTQLQIEISA-N 371.300 3.698 0 40 FHAB Clc1cccc(CN2CCc3nc([C@H]4CCCN4)ncc3C2)c1Cl 19292619 SMURKOJPGVZTQR-MRXNPFEDSA-N 363.292 3.766 0 40 FHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@H]4C[C@@H]4C)C3)cc2N1 19520789 IBDNXZBAMCWNDX-IHWVXMPCSA-N 370.419 3.553 0 40 FHAB CCc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)C4CC4)C3)noc2n1 19521935 SFBPTHOHGJFSOZ-LLVKDONJSA-N 367.371 3.920 0 40 FHAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc(-c2ccccc2Cl)no1 19716806 DUWRJUZLCGVZQA-NSHDSACASA-N 372.856 3.706 0 40 FHAB Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCCC2)cc1 20381114 DTHBVAIRBCCLBJ-UHFFFAOYSA-N 352.459 3.976 0 40 FHAB CCCCN1CNc2c(c(=O)[nH]c(=S)n2-c2ccc(Cl)cc2)C1 20567656 VTLSKWUMAOYLQE-UHFFFAOYSA-N 350.875 3.534 0 40 FHAB CC(=O)O[C@@H]1C[C@H]2C(=CC1=O)CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H](OC(C)=O)CC[C@H]12 25542630 LTUDQVYYMMOMDZ-FXQCRCGESA-N 374.477 3.602 0 40 FHAB Cc1ccsc1CNC(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 26175997 BBIMVWPQANWJIH-ZDUSSCGKSA-N 357.479 3.965 0 40 FHAB O=C(Nc1ccc(F)cc1)c1cc(=O)c2ccc(Br)cc2o1 27793944 SXINDMJLBWFBLR-UHFFFAOYSA-N 362.154 3.947 0 40 FHAB Cc1ccc(-c2nc(CCNC(=O)COc3ccc(F)cc3)cs2)cc1 27989056 GTSPNAWOGPIAAR-UHFFFAOYSA-N 370.449 3.995 0 40 FHAB CCCOc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)OCCO3)cc1 28647574 GLLJTYWLQBCXRR-UHFFFAOYSA-N 369.417 3.848 0 40 FHAB O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C[C@@H](O)c1ccccc1 29340384 IHBMQAXGUPYBPC-HXUWFJFHSA-N 360.388 3.936 0 40 FHAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1cccc(Nc2ncccn2)c1 30611986 NSVLFYLKKMNAKI-UHFFFAOYSA-N 370.315 3.794 0 40 FHAB C[C@H]1C[C@@H](OC(=O)c2ccc(-c3nc4ccccc4s3)s2)C(=O)O1 32736372 YJAFRGXJYNIBRD-GXSJLCMTSA-N 359.428 3.886 0 40 FHAB CCOc1ccc(CC(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc1 35596697 RIMPDVLSXVUDLH-UHFFFAOYSA-N 361.445 3.941 0 40 FHAB O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CC(c2cccc(F)c2)=NO1 36833064 NHPUTVMGQZDRDF-GUTXKFCHSA-N 358.335 3.556 0 40 FHAB CC(C)COc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)cc1 41014522 HVTGOUXQQYSGCF-CQSZACIVSA-N 368.433 3.717 0 40 FHAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 42645605 MHLOUKPZLVZRLP-ZDUSSCGKSA-N 358.413 3.760 0 40 FHAB O=C(CSCc1cccc(Cl)c1)NCc1nc(-c2ccccc2)no1 43995725 JLKDJODLKRSWAA-UHFFFAOYSA-N 373.865 3.940 0 40 FHAB CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(NC(=O)COC)cc1 44119730 LJYVCCXQEZFDSA-INIZCTEOSA-N 373.478 3.874 0 40 FHAB Cc1cccc(-c2csc3c(=O)n(CC(=O)OC(C)(C)C)cnc23)c1 44166737 RJOBEHNDYNZFAK-UHFFFAOYSA-N 356.447 3.775 0 40 FHAB O=S(=O)(c1cc(Cl)cc(Cl)c1)N(Cc1ccncc1)C1CC1 48355906 VGZZYHNUDIXUHY-UHFFFAOYSA-N 357.262 3.742 0 40 FHAB Cc1nn(C)c2c1[C@H](c1cccc(Br)c1)SCC(O)=N2 49543890 HGQQHQSYWQFWSP-ZDUSSCGKSA-N 352.257 3.915 0 40 FHAB CN1CC(=O)Nc2cc(C(=O)Nc3ccc(Oc4ccncc4)cc3)ccc21 50805347 MEUQKPRNOIDYLK-UHFFFAOYSA-N 374.400 3.515 0 40 FHAB Cc1c(C(=O)N[C@@H](C(N)=O)c2ccccc2)oc2c1ccc1ccccc12 53944919 XNGKFQJDHODOCF-GOSISDBHSA-N 358.397 3.851 0 40 FHAB CC(=O)Nc1cccc2c1CCN(Cc1nc(-c3cccc(C)c3)no1)C2 54393008 OXSKXXPRYXAVKJ-UHFFFAOYSA-N 362.433 3.562 0 40 FHAB O=C(NCCOc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1 58210115 ZLRVKDUDSMBHHR-UHFFFAOYSA-N 365.389 3.732 0 40 FHAB CC1CCC(NC(=O)OC(C)(C)C)(C(=O)N(C)Cc2cscn2)CC1 58700207 MLTJVDMWKLNVIF-UHFFFAOYSA-N 367.515 3.575 0 40 FHAB CCOc1cc(/C=C2/N=C(C)OC2=O)cc(Br)c1OCC 59484419 LLIYVDFESBHHRF-KPKJPENVSA-N 354.200 3.563 0 40 FHAB O[C@H]1CCCN(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)C1 70945254 LVSORXTTZGOBNZ-KRWDZBQOSA-N 355.869 3.695 0 40 FHAB O=C(c1ccc2[nH]c(=S)oc2c1)N(C[C@@H]1CCCO1)[C@H]1CCSC1 73424985 TVGLBNMRZTYEDX-STQMWFEESA-N 364.492 3.617 0 40 FHAB CCCOc1c(Cl)cc(/C=C/C(=O)N(C[C@H](C)O)C(C)C)cc1OC 84756744 VMFFEZLLKYSAMR-NPQIQWPPSA-N 369.889 3.768 0 40 FHAB CCCc1noc2nc(C3CC3)cc(C(=O)N[C@H](CC)[C@H]3CCCO3)c12 89960433 CUMUKVSQQAMQGE-RHSMWYFYSA-N 357.454 3.740 0 40 FHAB O=C(Nc1ccc2c(c1)OCCO2)N1CCSC[C@@H]1c1cccs1 95403774 SNAXLYFZIGKQFM-CYBMUJFWSA-N 362.476 3.841 0 40 FHAB COc1ccccc1Oc1ccc(NC(=O)NCC(=O)OC(C)(C)C)cc1 95407374 CWHAHHUAQHBIML-UHFFFAOYSA-N 372.421 3.951 0 40 FHAB Cn1cnnc1[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 95981965 WVJUVZRPRFRGLL-ILXRZTDVSA-N 365.264 3.589 0 40 FHAB O=C(Cc1ccc(F)cc1)NCc1nn(C2CCCC2)c2c1CCCC2 96099215 FMRLAHLECVCHLI-UHFFFAOYSA-N 355.457 3.875 0 40 FHAB CSc1ccc(/C=C/C(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)cc1 96103566 WDYJZVWCEQBKOC-BJMVGYQFSA-N 368.458 3.525 0 40 FHAB Cc1nc(C(=O)Nc2ccccc2Cc2nc(-c3ccco3)no2)cs1 96357662 NZZJQTWDFAGNIP-UHFFFAOYSA-N 366.402 3.938 0 40 FHAB Cc1ccsc1C(=O)NC1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 98212599 YSOBQDOWBJUOJM-UHFFFAOYSA-N 366.490 3.845 0 40 FHAB COc1cccc(NC(=O)N2[C@@H]3CCC[C@@H]2CC(NC(=O)C(C)(C)C)C3)c1 100426353 SGEHRLCKCLJUHB-IAGOWNOFSA-N 373.497 3.775 0 40 FHAB COCc1nn2c(O)cc(Cc3ccccc3F)nc2c1-c1ccccc1 100776120 XLEIKONHLNXPMR-UHFFFAOYSA-N 363.392 3.978 0 40 FHAB COc1ccccc1N[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 100849972 IDQIZMBMSYOZFS-AWEZNQCLSA-N 365.216 3.746 0 40 FHAB O=C(Nc1cccc(C(F)(F)F)n1)c1ccn(-c2cccc(F)c2)n1 101822447 XMISSIFWYBECGO-UHFFFAOYSA-N 350.275 3.678 0 40 FHAB C[C@H]1CC[C@@H]2C(=O)N(c3ccccc3OC(=O)c3cccs3)C(=O)[C@@H]2C1 101967430 VROIQTUKVPMSDX-MELADBBJSA-N 369.442 3.893 0 40 FHAB Cc1ccccc1OC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 102593519 BJMUZOXHYBIEIV-FVCZOJIISA-N 373.408 3.526 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nnc(C(F)(F)F)[nH]1 104861941 FTVSJTVUVJVESL-RXMQYKEDSA-N 369.130 3.536 0 40 FHAB C[C@H]1CN([C@H](CNC(=O)CC(C)(C)C)c2c(F)cccc2Cl)CCO1 105724108 MXNJTCFRMMCIRH-XJKSGUPXSA-N 370.896 3.793 0 40 FHAB CO[C@H](CNC(=O)c1cncc(Br)c1)c1ccccc1Cl 121722984 PWLHWVREJUNENT-CQSZACIVSA-N 369.646 3.615 0 40 FHAB Brc1ccc(CCN2CCN(Cc3ccccc3)CC2)cc1 199737731 HBZSWJVOGQLBSV-UHFFFAOYSA-N 359.311 3.809 0 40 FHAB O=C(CSc1nnc(-c2ccccc2Cl)[nH]1)N[C@H]1C[C@@H]2CC[C@@H]1C2 216032633 GIBJOMBVSYFVQQ-GYSYKLTISA-N 362.886 3.522 0 40 FHAB Cc1ccc(-c2noc(CNC(=O)CCc3ccccc3Cl)n2)cc1 220020410 DAEQWXNUVLZMIC-UHFFFAOYSA-N 355.825 3.947 0 40 FHAB CCCc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc(OC)cc2)cc1 224155925 LVJDHHOODAVSMQ-MRXNPFEDSA-N 357.450 3.610 0 40 FHAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCOc1ccc(Cl)cc1 224612397 OGLAVNGRJOCIRT-MRXNPFEDSA-N 363.841 3.701 0 40 FHAB CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1O 224620665 QFCOVOHKQZHMJY-OALUTQOASA-N 364.474 3.786 0 40 FHAB COc1cccc(-c2cnc(CCC(=O)Nc3ccccc3OC)o2)c1 224846751 YHVSGUXQNOIUBV-UHFFFAOYSA-N 352.390 3.930 0 40 FHAB COc1ccccc1CNC(=O)c1snnc1-c1ccc(Cl)cc1 225771585 DNDOIUOHVVNLIF-UHFFFAOYSA-N 359.838 3.797 0 40 FHAB COc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)oc2ccccc12 252509030 YBLRWYMQFZOKGK-UHFFFAOYSA-N 352.390 3.530 0 40 FHAB Cc1ncc(CN2CC[C@H]3O[C@H]4c5ccccc5OC(C)(C)[C@@H]4C[C@H]32)cn1 257230092 GAUHFZCSWCTOGJ-UKAVVXHISA-N 365.477 3.677 0 40 FHAB c1cncc(-c2ccc3nc([C@@H]4CCCN(Cc5ccncc5)C4)nn3c2)c1 306131392 KDCYUZSIJVQSIM-HXUWFJFHSA-N 370.460 3.566 0 40 FHAB O=C(c1cncnc1C1CC1)N1CCCc2c([nH]c3c(F)cccc23)C1 562627627 RTMXIOBHNIVNMY-UHFFFAOYSA-N 350.397 3.563 0 40 FHAB COc1ccc2[nH]c(C(=O)N3CC[C@@]4(CCc5ccccc5O4)C3)cc2c1 569774322 CAQKMYZLHRUVMM-QFIPXVFZSA-N 362.429 3.786 0 40 FHAB O=C(NCc1cn(-c2ccsc2)nn1)C1(c2cccs2)CCCC1 575617459 BQMBRBWQKHQSFQ-UHFFFAOYSA-N 358.492 3.519 0 40 FHAB CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1nnn(C(C)(C)C)n1 622777425 RELMHIFPKRECBR-ZDUSSCGKSA-N 371.485 3.759 0 40 FHAB Cn1ccnc1[C@@H]1OCC[C@H]1CN[C@@H]1CC(C)(C)Oc2cc(F)ccc21 658273691 DIHJPLPJOXMEIS-FDQGKXFDSA-N 359.445 3.529 0 40 FHAB CC(C)C[C@H](NC(=O)N1CCc2c(cccc2C(N)=O)C1)c1cccs1 663771776 RCRPJRHCHCIEMR-KRWDZBQOSA-N 371.506 3.702 0 40 FHAB COc1ccc(-c2cc(CN3CC[C@H]4[C@H](CCCN4C4CC4)C3)on2)cc1 676712854 OOVXSWSPUPHUTR-VGSWGCGISA-N 367.493 3.799 0 40 FHAB COc1ccc(-c2nnc(-c3cc4ccc(OC)cc4oc3=O)o2)cc1 952990042 SIAOFOUACHWWRT-UHFFFAOYSA-N 350.330 3.527 0 40 FHAB Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1cccc(C(F)(F)F)c1 1185854180 LVSFEVZMFWTJEM-INIZCTEOSA-N 355.381 3.980 0 40 FHAB COC(=O)[C@@H](NC(=O)c1cccc(C)c1F)c1cccc(C(F)(F)F)c1 1288528115 XSVAFIDOPRCGSZ-HNNXBMFYSA-N 369.314 3.797 0 40 FHAB COC(=O)/C=C/CNC(=O)c1c(C)n(C2CCCC2)c2ccc(OC)cc12 1535144610 ONZCVJIBENGLKN-RMKNXTFCSA-N 370.449 3.532 0 40 FHAB CC(C)(C)C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2N3C(=O)c2cccs2)C1 1775990611 CXMOUVVOZPPKGA-UIEKQHFFSA-N 360.523 3.682 0 40 FHAB Cc1ncsc1CN1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889091923 VZGAKPYPLVNZFN-TZMCWYRMSA-N 368.428 3.576 0 40 FHAB CN(Cc1ccco1)C(=O)c1ccc(OCc2cn3ccccc3n2)cc1 12544375 JCYSWGUMBGBUDH-UHFFFAOYSA-N 361.401 3.779 0 40 FHAB C[C@H]1CCCCN1C(=O)CSc1nnc2n1C(C)(C)Cc1ccccc1-2 882934 HFWLLNGZXQDGPP-AWEZNQCLSA-N 370.522 3.729 0 40 FHAB O=C(c1cccc(Br)c1)N1CCC[C@@H](NCc2ccccc2)C1 79096492 GPMOXCYJWGUWAA-GOSISDBHSA-N 373.294 3.844 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCC[C@@H]2CCCC[C@H]21 54670648 PXXZCRIABFXNJF-PKOBYXMFSA-N 365.477 3.853 0 40 FHAB Cc1csc(NC(=O)CSc2nccn2-c2cccc(C)c2C)n1 12573656 MQEYNKBAAIAJPX-UHFFFAOYSA-N 358.492 3.985 0 40 FHAB COc1ccc(C)cc1-n1nnnc1S[C@H](C)C(=O)c1ccc(C)cc1 3491563 GRVWJILHCIXPHD-CQSZACIVSA-N 368.462 3.651 0 40 FHAB COc1ccccc1NC(=O)CCCc1nc(-c2ccccc2OC)no1 4434005 DIBZNFLJGCATHJ-UHFFFAOYSA-N 367.405 3.715 0 40 FHAB CN(C(=O)COc1ccc(Br)cc1)c1nc2ccccc2o1 24927914 JJVPRSGBTCPIOB-UHFFFAOYSA-N 361.195 3.632 0 40 FHAB CC1CCN(c2ccc(CNC(=O)C3(c4ccc(F)cc4)CC3)cn2)CC1 61900250 MITVJDIGQWMLMU-UHFFFAOYSA-N 367.468 3.805 0 40 FHAB Cc1cc(NC(=O)CSc2ncn(-c3ccccc3)n2)ccc1Cl 8336222 ABXBCAMDYRWWCW-UHFFFAOYSA-N 358.854 3.960 0 40 FHAB CC(C)c1nnc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)s1 25055660 JBFLEDNQDUBTNJ-UHFFFAOYSA-N 353.831 3.729 0 40 FHAB CCCCCc1ccc(NC(=O)CNC(=O)c2ccccc2OC)cc1 8772659 IUTHCQTYKOBIOK-UHFFFAOYSA-N 354.450 3.796 0 40 FHAB Cc1cccc(NCc2nc(-c3ccsc3)no2)c1C(=O)N1CCCC1 55846372 YPDVXSBEILIYSX-UHFFFAOYSA-N 368.462 3.955 0 40 FHAB O=C(OCC(=O)N1CCCCC1)c1cc(-c2ccco2)nc2ccccc12 3241233 FHQBIZXXOKJVQT-UHFFFAOYSA-N 364.401 3.664 0 40 FHAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1c(OCC)ccc2ccccc12 1467308 WIGOWMPGKSTBFE-GOSISDBHSA-N 370.474 3.594 0 40 FHAB C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 25493500 LZICYVDUXKNANR-AUUYWEPGSA-N 370.424 3.776 0 40 FHAB CC(=O)N(C)Cc1cccc(NC(=O)c2csc(Br)c2)c1 25962165 OCARWRQDAGJKKX-UHFFFAOYSA-N 367.268 3.741 0 40 FHAB CCCCOc1ccc(NC(=O)C(=O)NCc2ccc(CC)cc2)cc1 9232682 HBHHFHOSIGAJFD-UHFFFAOYSA-N 354.450 3.683 0 40 FHAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cc[nH]c(=S)c1 58174643 HSCYHXIPZXATNM-UHFFFAOYSA-N 357.416 3.849 0 40 FHAB CC(C)(C)OC(=O)NC(C)(C)c1noc(CSc2ccccn2)n1 58163755 OIOMWQXRTDNEPB-UHFFFAOYSA-N 350.444 3.517 0 40 FHAB COc1ccc(C2(O)[C@H]3CCC[C@H]2CN(Cc2cccc(OC)c2)C3)cc1 100766736 QGRPGBNUSPWUCE-PMACEKPBSA-N 367.489 3.824 0 40 FHAB COc1ccc(CNCC2(c3cc(C)ccc3OC)CCOCC2)cc1O 58216770 KQXFVKNSVNJVQD-UHFFFAOYSA-N 371.477 3.556 0 40 FHAB O=S(=O)(c1ccccc1F)N(Cc1ccco1)Cc1ccccc1F 58379088 LOIAZHYMSNNVGG-UHFFFAOYSA-N 363.385 3.949 0 40 FHAB CN1c2cc(C(=O)Nc3cccc(Cl)c3)ccc2C(=O)N2CCCC[C@H]21 97139396 WAWSIOAZUWEPEW-SFHVURJKSA-N 369.852 3.994 0 40 FHAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)C1 10640649 BXYXIPYUICTAHF-MRXNPFEDSA-N 369.486 3.929 0 40 FHAB CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc3cccnc23)CC1 21069570 LNAFEPBTQOWQAY-UHFFFAOYSA-N 355.438 3.820 0 40 FHAB COc1ccc(NC(C)=O)cc1NCc1nc(-c2cccc(Cl)c2)no1 11620524 OQTOVCYWSOIBMC-UHFFFAOYSA-N 372.812 3.969 0 40 FHAB CCN1C(=O)/C(=C/c2ccc(OCc3cccc(C)c3)cc2)NC1=S 105200505 FAGAOZFYMZDKRD-PDGQHHTCSA-N 352.459 3.652 0 40 FHAB O=C(Nc1nc2c(s1)CCCCC2)c1cncn1-c1ccc(F)cc1 12828778 STRCGKONTQOPNN-UHFFFAOYSA-N 356.426 3.989 0 40 FHAB Cc1noc(C)c1CC(=O)O[C@H](C)C(=O)Nc1cccc(Cl)c1Cl 12808637 FGOHAWRERIZIKX-SNVBAGLBSA-N 371.220 3.711 0 40 FHAB CCOc1cc(C)ccc1NC(=O)N1CCc2c(nc(C(C)C)n2C)C1 95467066 UKHQYNJZQFVIFV-UHFFFAOYSA-N 356.470 3.841 0 40 FHAB COc1ccccc1CN1C[C@@H]2CCC[C@@H](C1)C2(O)c1ccc(C)cn1 100149267 NPDXQYGWODGFKQ-OALUTQOASA-N 352.478 3.518 0 40 FHAB Cc1cc(NC(=O)[C@H](OC(=O)C2C3CC4CC(C3)CC2C4)C(C)C)no1 60695116 CLJOZZLGRKKUSD-NEPSPCKVSA-N 360.454 3.562 0 40 FHAB Cc1cccc(Nc2nnc(SCc3cccs3)n(C)c2=O)c1C 28536865 FWZVWEMRNKXVHP-UHFFFAOYSA-N 358.492 3.890 0 40 FHAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)COc2cccc(Cl)c2)C1 12936699 ZGUHAXVBIOODIF-HNNXBMFYSA-N 372.852 3.596 0 40 FHAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc2nccnc2c1 12997074 BZUMTNLUSVRUME-UHFFFAOYSA-N 374.425 3.941 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)CN2CCc3sccc3[C@@H]2C)c1 12912863 ICFAJLMCRGTFSB-KGLIPLIRSA-N 374.506 3.562 0 40 FHAB O=S(=O)(N[C@H]1CCSc2ccc(F)cc21)c1ccc(F)c(F)c1 13003289 GDJYOAYZPIKRQT-AWEZNQCLSA-N 359.394 3.619 0 40 FHAB O=C(O)[C@H]1C2CCC(CC2)[C@H]1C(=O)N1CCC(Cc2ccccc2)CC1 13320372 LVTNBUDAGKFJFO-TUNPWDSISA-N 355.478 3.605 0 40 FHAB Cc1ccc2nc(Cn3cc(-c4cnn(Cc5ccccc5)c4)cn3)cn2c1 49611716 AYQNOWGPXKEBBJ-UHFFFAOYSA-N 368.444 3.799 0 40 FHAB CC[C@@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(N)=O)CCCCC2 6119829 LRVHCHZXTNZIOK-OAHLLOKOSA-N 372.490 3.912 0 40 FHAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2nncn2C)cs1 5118678 GCBCPEUNJHTFKA-UHFFFAOYSA-N 373.507 3.865 0 40 FHAB Cc1c(C(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)oc2c1C(=O)CCC2 65514036 HNMLJVXPNUNVBE-FZKQIMNGSA-N 353.418 3.709 0 40 FHAB O=C(/C=C/c1ccsc1)N1CCN(Cc2nc3ccccc3s2)CC1 14134614 ATZLZNVEBIVBOJ-AATRIKPKSA-N 369.515 3.715 0 40 FHAB Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1 4575517 MIWAKJCUFNDDFF-UHFFFAOYSA-N 367.430 3.601 0 40 FHAB COc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)N(C(C)=O)c3ncnn32)cc1 4816749 LGNNQWROJCAUIB-VQTJNVASSA-N 362.433 3.682 0 40 FHAB Cc1ccc(CSc2nc3ccccc3c(=O)n2CCN(C)C)cc1C 67258692 RGGIPFGMXRMJMS-UHFFFAOYSA-N 367.518 3.867 0 40 FHAB Nc1ccccc1Oc1nc(Br)nn1Cc1ccc(F)cc1 15869097 CXHADFWXCHQMAN-UHFFFAOYSA-N 363.190 3.603 0 40 FHAB CCOC(=O)Nc1ccc(C(=O)N(C)CCOc2ccc(C)cc2)cc1 16174344 QSEWHZKNGMERBJ-UHFFFAOYSA-N 356.422 3.714 0 40 FHAB COc1ccccc1CNc1nc(-c2ccc3c(c2)CC(=O)N3)cs1 8208413 LCFZROVMYJWJIF-UHFFFAOYSA-N 351.431 3.925 0 40 FHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)COc1ccc(Cl)cc1 8349365 ACPOXBNKTFELTD-AWEZNQCLSA-N 370.840 3.519 0 40 FHAB COc1cc(OC)c(NC(=O)COC(=O)c2ccc(C)s2)cc1Cl 9654191 CKGVMMNOLAFFHV-UHFFFAOYSA-N 369.826 3.523 0 40 FHAB COc1ccc(-c2noc(C3(c4ccc(F)cc4)CCOCC3)n2)cc1 69968762 ZERVXXQOPDPFRF-UHFFFAOYSA-N 354.381 3.981 0 40 FHAB C[C@H](CNC(=O)CSc1nc(-c2cccs2)n[nH]1)c1ccccc1 8734491 KOUMYFYGGKHPKB-GFCCVEGCSA-N 358.492 3.545 0 40 FHAB CCCc1cc(O)nc(S[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)n1 8723956 FLDYWQMVNCDKQD-GFCCVEGCSA-N 361.467 3.646 0 40 FHAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CCOc2ccccc2)C1=O 8886464 HUXRAKZXALPKGH-QFIPXVFZSA-N 360.413 3.686 0 40 FHAB O=c1[nH]c(-c2cc(Br)cc(Cl)c2O)nc2ccccc12 8914142 APENMDSZGQHVBL-UHFFFAOYSA-N 351.587 3.712 0 40 FHAB Cc1ccc(NC(=O)CSc2nc(C(C)C)n[nH]2)c(Br)c1 9954678 AESFRSPKDUDVEA-UHFFFAOYSA-N 369.288 3.730 0 40 FHAB CC[C@H](C[C@H](C)CO)NC(=O)C(C)(C)c1ccc(Br)cc1 89942974 JXGOHLUMESZQTG-SWLSCSKDSA-N 356.304 3.640 0 40 FHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(-n2ccnc2)cc1 20460510 DSHAOXHVQWKPJG-LJQANCHMSA-N 369.852 4.000 0 40 FHAB CC(C)CN1CCO[C@]2(CCCC[C@@H]2NC(=O)/C=C/c2cccs2)C1 306132713 LQBGODNFXGGIAW-LAYSSIRVSA-N 362.539 3.547 0 40 FHAB Cc1nc2c(n1C(C)C)CN(Cc1ccccc1F)CC21CCN(C)CC1 306127066 FNQXIANJUPJBQO-UHFFFAOYSA-N 370.516 3.891 0 40 FHAB CNc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c(C)n1 72219139 YFVFTZQPCDPSHK-SFHVURJKSA-N 359.495 3.656 0 40 FHAB O=C(O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218473292 KTOWDRUKIHSHEU-KFWWJZLASA-N 371.241 3.634 0 40 FHAB CCOc1ccc(NC(=O)COc2cccc(-c3nc(CC)no3)c2)cc1 72242814 ZIDSNKSNINGBPJ-UHFFFAOYSA-N 367.405 3.715 0 40 FHAB Cc1cccc(Oc2cncc([C@H]3CCCN(C(=O)c4ccccn4)C3)n2)c1 72362270 SUJSVGKNAIXOQC-KRWDZBQOSA-N 374.444 3.992 0 40 FHAB CCc1ccccc1O[C@@H](C)C(=O)N(C)Cc1nc(-c2ccccc2)no1 219296773 GASPRXYQQCEOEA-HNNXBMFYSA-N 365.433 3.725 0 40 FHAB O=C(NCc1cncc(-c2cccs2)c1)c1cc(-c2ccco2)n[nH]1 225666595 OLFSATIDDYDNHG-UHFFFAOYSA-N 350.403 3.723 0 40 FHAB Cc1ccnc(NC(=O)C(C)(C)Oc2nn(-c3ccccc3)cc2C)c1 227151230 PZKOAWKIOQUMBV-UHFFFAOYSA-N 350.422 3.680 0 40 FHAB CCOc1ccc(Cl)cc1S(=O)(=O)N(C)c1ccc(OC)cc1 223005101 DOIZDVXNUBJWKP-UHFFFAOYSA-N 355.843 3.572 0 40 FHAB Cc1noc2nc(-c3ccccc3)cc(C(=O)NCCOCC3CCC3)c12 571103696 FDKDTFWRMADZAG-UHFFFAOYSA-N 365.433 3.745 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H]1CNCc1cccc(Br)c1 83264775 CQAFCJUKRLQFIK-OAHLLOKOSA-N 369.303 3.938 0 40 FHAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCCCN2Cc2cc[nH]n2)n1 257299651 RQYNTJAPLXBYSY-MRXNPFEDSA-N 369.498 3.744 0 40 FHAB Cc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(C)n3ccnc3n2)s1 257221611 DPVNOCFPFHHEIE-QGZVFWFLSA-N 354.479 3.704 0 40 FHAB O=C(Nc1ccc(-c2ncco2)cc1)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F 654025939 VMBVQEPYUCBRIV-KBPBESRZSA-N 369.343 3.963 0 40 FHAB Cc1cnc(C2CCN(C(=O)N[C@@H](C)c3csc(C)n3)CC2)s1 683355683 FQYUSGHXEJQDPF-NSHDSACASA-N 350.513 3.867 0 40 FHAB C[C@@H]1CCc2[nH]nc(C(=O)N3CCc4cc(-c5ccccc5)oc4C3)c2C1 1775986953 MGVVLVGHILHMTE-CQSZACIVSA-N 361.445 3.993 0 40 FHAB Cc1ccc(CC2CN(C(=O)N[C@H](c3ccccc3)[C@@H]3CCOC3)C2)cc1 664574284 AXWLODUGCQQNOO-FGZHOGPDSA-N 364.489 3.957 0 40 FHAB c1cc2c(cc1CN1CCC3(CC1)OCC[C@@H]3CCOCC1CC1)OCO2 585104709 LGQFZWGUOGADNZ-IBGZPJMESA-N 373.493 3.603 0 40 FHAB Cc1nn(CC(C)C)c2sc(C(=O)Nc3c4c(nn3C)CCC4)cc12 58414626 CBLHNTATYAUWOD-UHFFFAOYSA-N 357.483 3.537 0 40 FHAB Cc1cccc(C(=O)N2CCCC2)c1NCc1nc(-c2cccs2)no1 55851963 DEFBKCSKNZBITL-UHFFFAOYSA-N 368.462 3.955 0 40 FHAB Cc1ccc(COc2ccc(C=O)cc2I)cc1 5698735 VLDKUTUSQOXBCA-UHFFFAOYSA-N 352.171 3.991 0 40 FHAB CCn1c(=O)n(CC(=O)Nc2ccccc2-c2ccccc2)c2cccnc21 12117572 FRMDCXVCWVRNHO-UHFFFAOYSA-N 372.428 3.524 0 40 FHAB Cc1ccc(CN(Cc2c[nH]nc2-c2ccc(O)cc2)C[C@@H]2CCCO2)o1 12143720 DMFLKKRYYKCOHH-IBGZPJMESA-N 367.449 3.865 0 40 FHAB CCc1cc2c(CN(C)CCOc3ccccc3C)cc(=O)oc2cc1O 12934998 CRIPNBLBAVOHBY-UHFFFAOYSA-N 367.445 3.880 0 40 FHAB C[C@@H](Sc1ncnc2[nH]cnc12)C(=O)Nc1cc(Cl)ccc1Cl 13578867 XXZFDQAVSIYUCN-SSDOTTSWSA-N 368.249 3.779 0 40 FHAB CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N[C@H](C)C(C)C)cc2)cc1 16728336 BUDBYFNTQIGCQL-CQSZACIVSA-N 360.479 3.635 0 40 FHAB COc1c(C)cccc1C(=O)N1CCC[C@@H]1c1n[nH]cc1-c1cc(C)no1 19235833 SGMNGOVWUDQNOC-MRXNPFEDSA-N 366.421 3.667 0 40 FHAB C[C@@H]1C[C@@H]1C(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1 19495891 MREHILJAZLOOGJ-KDOFPFPSSA-N 364.424 3.523 0 40 FHAB c1ccc(COc2cccc(CN3CC[C@@H]4NCCCCC[C@H]43)c2)nc1 19712064 CDLOSLBXNGKYJS-FCHUYYIVSA-N 351.494 3.767 0 40 FHAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 156742439 MFXQZMVSFPYRCY-UHFFFAOYSA-N 367.854 3.798 0 40 FHAB CCn1c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nnc1-c1ccccc1 3501571 GCLSLASPFJJNQW-GJZGRUSLSA-N 358.511 3.847 0 40 FHAB CCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OCC)cc2)SC1=S 7262876 MDHWNDWOYFLUSF-LFGHMXSPSA-N 365.476 3.540 0 40 FHAB Cc1ccsc1CN1CCC[C@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 1848353178 KGEAPZJVOFMTFQ-OAHLLOKOSA-N 353.495 3.691 0 40 FHAB Cc1ccc(C(=O)OCC(=O)Nc2nc(C)c(Cl)cc2Cl)s1 5937762 HXERXLSHKHAOPX-UHFFFAOYSA-N 359.234 3.862 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cccc(Br)c2)c(C)c1O 32935321 ANUBKSAMFHKPTC-UHFFFAOYSA-N 356.241 3.572 0 40 FHAB O=C(O)[C@H]1CS[C@H](c2ccccc2Cl)N1C(=O)c1ccccc1F 974395 IHTFQSGSXXUYSH-GDBMZVCRSA-N 365.813 3.820 0 40 FHAB CCOc1ccc(-c2nnc(SCC(=O)N3CCCC[C@@H]3C)o2)cc1 2720345 RNZNWWNGLMPJOA-ZDUSSCGKSA-N 361.467 3.628 0 40 FHAB C[C@H]1NC(=O)N[C@H]1CCCCCC(=O)Nc1ccc2c3c(cccc13)CC2 4687136 RWTRESXQFYFWTI-KDOFPFPSSA-N 365.477 3.897 0 40 FHAB CCOc1cc(S(=O)(=O)Nc2ccccc2OCC)ccc1Cl 4744744 DBNQTGJVNAGZLK-UHFFFAOYSA-N 355.843 3.938 0 40 FHAB COc1ccc(-n2nnc(C(=O)OCc3ccccc3C)c2C)cc1Cl 12416110 WYJNXPIPOLSSPK-UHFFFAOYSA-N 371.824 3.903 0 40 FHAB CC(C)c1ccccc1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 23224646 LLILXNIYNVEYTA-HXUWFJFHSA-N 372.484 3.511 0 40 FHAB Cc1ccc(NC(=O)c2ccc(Br)o2)cc1N1CCCC1=O 5440710 DCNTUIUAPTWKJY-UHFFFAOYSA-N 363.211 3.730 0 40 FHAB CCC[C@@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 40005255 MLGUWQPRVGKFGF-HNAYVOBHSA-N 359.491 3.851 0 40 FHAB O=C(Cc1csc(-c2ccco2)n1)NCc1ccc(-c2ccn[nH]2)cc1 40115632 IFNHISLLRZGZAV-UHFFFAOYSA-N 364.430 3.652 0 40 FHAB Cc1cc(C)n(-c2cccc(NC(=O)[C@@H]3CC(=O)Nc4ccccc43)c2)n1 40134061 MYIPOFAWQJYXCZ-GOSISDBHSA-N 360.417 3.554 0 40 FHAB Cc1noc(C(C)C)c1C(=O)NCc1cccc(OCC(F)(F)F)c1 40107873 JFGISHJWJAYNBJ-UHFFFAOYSA-N 356.344 3.978 0 40 FHAB Cc1oc(-c2cccs2)nc1CN1CCC[C@@H]1C(=O)NCc1ccco1 31558024 FTNWPHLVIBZDAW-MRXNPFEDSA-N 371.462 3.585 0 40 FHAB COc1ccc(N2C(=O)c3ccccc3N[C@]23C(=O)Nc2ccccc23)cc1 101647188 PUEVAKKFBSAJDM-QFIPXVFZSA-N 371.396 3.573 0 40 FHAB COc1ccccc1OCC(=O)N1CCCC[C@@H]1CCN1CCCCCC1 21148714 CQLYCVQJVCBCAY-LJQANCHMSA-N 374.525 3.721 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1nc2c(s1)CCC2 52397382 DZEFCYQPFNSPQN-UHFFFAOYSA-N 352.463 3.616 0 40 FHAB Cc1cccc(C(=O)NCc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c1O 32914589 KQFPQQFYVBNJDT-INIZCTEOSA-N 366.461 3.645 0 40 FHAB CN(C)C(=O)c1ccc(Cl)c(NC(=O)CSCc2ccccc2)c1 33173523 PLRPCUOMKMEURL-UHFFFAOYSA-N 362.882 3.914 0 40 FHAB Cc1nc2ccccc2n1C[C@@H](O)Cn1c(C(F)(F)F)nc2ccccc21 644439 MMOUCXVOYKZSPD-CYBMUJFWSA-N 374.366 3.774 0 40 FHAB CC(=O)CSc1nc(SCC(C)=O)c2c3c(sc2n1)CCCC3 642415 KJEHPSNSGIPGJR-UHFFFAOYSA-N 366.533 3.932 0 40 FHAB CCOc1ccccc1Oc1ccc(CNC(=O)Nc2cccnc2)cn1 47564872 QVZHQVBYZRQKGL-UHFFFAOYSA-N 364.405 3.989 0 40 FHAB Cc1nn(C)c2c1[C@@H](c1cc(Cl)c3c(c1)OCO3)SCC(O)=N2 61718569 GAVCTGAZRFWXIR-CQSZACIVSA-N 351.815 3.535 0 40 FHAB O=C(NCCc1nc2ccccc2[nH]1)NCc1cccc(C(F)(F)F)c1 12525544 VOUQBQXAGIKMAL-UHFFFAOYSA-N 362.355 3.624 0 40 FHAB O=C(c1csc(-c2cccs2)n1)N1CC[C@H](OCc2cccnc2)C1 79021627 LTHUCWBONGSPPT-AWEZNQCLSA-N 371.487 3.698 0 40 FHAB CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)[C@@H]1C[C@@H](C(C)(C)O)C(=O)O1 2518271 ONTNQSPOVPJIPN-OAGGEKHMSA-N 369.502 3.553 0 40 FHAB O=C(CSc1ncccc1C(=O)O)Nc1ccc(SC(F)F)cc1 3169573 KZIZILFJGNHODY-UHFFFAOYSA-N 370.402 3.825 0 40 FHAB CC(C)c1ccccc1NC(=O)CSc1nnc(C(F)(F)F)n1C 3414194 NCWNYWHOEICMLR-UHFFFAOYSA-N 358.389 3.688 0 40 FHAB CCc1cc(Cl)ccc1O[C@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 42783124 WFHFKGFBJLRQKK-KBPBESRZSA-N 369.845 3.744 0 40 FHAB COc1ccc(Cl)cc1NCC(=O)N[C@@H](C)c1ccc(F)cc1F 24214734 KKVYFVMVTJYRQI-JTQLQIEISA-N 354.784 3.916 0 40 FHAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 106088367 NVXGPWPUHQINDK-GDBMZVCRSA-N 372.513 3.585 0 40 FHAB COc1cccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 7214780 IBJIWILMZTUSKP-UHFFFAOYSA-N 360.262 3.823 0 40 FHAB COc1ccc(OCCNC(=O)COc2ccc(Cl)cc2Cl)cc1 7815171 APLPSAHAKVBBMH-UHFFFAOYSA-N 370.232 3.576 0 40 FHAB Cc1cc(C(=O)NCCCO[C@H](C)c2ccccc2)c2c(C)noc2n1 24929398 RXYULEDNRCZODT-OAHLLOKOSA-N 353.422 3.737 0 40 FHAB COc1ccc(Cl)cc1NC(=O)CSc1ncn(-c2ccccc2)n1 8161814 PENIPYNMXWEQGC-UHFFFAOYSA-N 374.853 3.660 0 40 FHAB CC[C@@H](CO)NCc1cc(Cl)c(OCc2cccs2)c(OC)c1 8326298 KGYHFJFKMHSEBH-ZDUSSCGKSA-N 355.887 3.850 0 40 FHAB Cc1cccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2)c1 8413145 CMRZENOBMHLWEF-UHFFFAOYSA-N 374.824 3.549 0 40 FHAB CN(C)Cc1ccc(CNC(=O)c2c3c(nc4ccccc24)CCC3)cc1 95385768 WFMLVRQZIDQFJC-UHFFFAOYSA-N 359.473 3.715 0 40 FHAB O=S(=O)(NC1CCC(C(F)(F)F)CC1)c1cccc2cnccc12 56013654 YHZXPTRFCYTEJR-UHFFFAOYSA-N 358.385 3.634 0 40 FHAB C[C@@H](NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCO2 25597992 MWNUUABBYZPMLO-LLVKDONJSA-N 366.339 3.723 0 40 FHAB O=C(NCCc1cnn(-c2ccccc2)c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 44414300 NWKPRIDSHLXDBQ-HZPDHXFCSA-N 365.399 3.900 0 40 FHAB CCn1nc(C)c(CN(C)C(=O)Nc2cc(Cl)ccc2OC)c1C 27929430 OLFMKKOFCHTFCG-UHFFFAOYSA-N 350.850 3.846 0 40 FHAB O=C1Nc2ccccc2CC[C@@H]1Sc1nnc(-c2ccco2)n1C1CC1 20731590 YEIKNNHEFAGJGF-INIZCTEOSA-N 366.446 3.919 0 40 FHAB Cc1ccc([C@@H](CNC(=O)COc2ccc(F)cc2)N2CCCCC2)cc1 27581591 NLRFBIKLMVNKAM-OAQYLSRUSA-N 370.468 3.856 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccs3)oc2C)cc1 12753531 AZZUNXRBRBMKAJ-UHFFFAOYSA-N 362.476 3.841 0 40 FHAB Cc1onc(-c2ccccc2)c1C(=O)NC[C@H](O)c1cccc(Cl)c1 58109451 UAQXIUZNCUPUNV-INIZCTEOSA-N 356.809 3.767 0 40 FHAB CC(C)OCc1ccccc1CNC(=O)[C@@H]1CCCN(c2ccccn2)C1 58178721 WEUNXQFHGGGXDG-LJQANCHMSA-N 367.493 3.539 0 40 FHAB Cc1ccc([C@@H]2C=C(c3cccs3)Nc3nc(CCCO)nn32)cc1 100892422 FJUCRHWWBWNBEW-INIZCTEOSA-N 352.463 3.629 0 40 FHAB COc1ccc([C@H](C)NC(=O)c2ccc(N3CCCCC3=O)cc2)cc1F 25322906 NELDZABIABMQPK-AWEZNQCLSA-N 370.424 3.842 0 40 FHAB COc1ccccc1N1CCN(c2ncnc3c2[nH]c2ccc(C)cc23)CC1 2283595 HRBISJGVEKNRNH-UHFFFAOYSA-N 373.460 3.755 0 40 FHAB Nn1c(SCc2c(F)cccc2Cl)nnc1-c1ccccc1F 2264437 IBXPVGUXKMZUFZ-UHFFFAOYSA-N 352.797 3.883 0 40 FHAB COc1ccc(OCCNC(=O)c2cc3cc(C)ccc3nc2C)cc1 12858679 NHJRMOIANAPIRX-UHFFFAOYSA-N 350.418 3.669 0 40 FHAB O=C(Nc1ccc2c(c1)OCCO2)N1CCC[C@@H]1c1nc2ccccc2[nH]1 54376370 QDJRQOLPDOEZIO-MRXNPFEDSA-N 364.405 3.703 0 40 FHAB Cc1ccc(NC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1F 12815705 AHPXMEOBCCXNRR-GOSISDBHSA-N 368.408 3.784 0 40 FHAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)/C=C/c2ccccc2F)C1 12885738 AKRLOWWMJUZAOI-UJGDBWEASA-N 352.409 3.716 0 40 FHAB CSCC[C@@H](NC(=O)c1ccc(Cl)cc1)c1nnc2ccccn12 12892749 BEHGQDMWYRZMOR-CQSZACIVSA-N 360.870 3.607 0 40 FHAB CCN(c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1)S(C)(=O)=O 10008582 XAFOJEUBLJCUFD-UHFFFAOYSA-N 370.833 3.517 0 40 FHAB Cc1c(Cl)c(C(F)(F)F)nn1Cc1nc2c3ccccc3ncn2n1 2806488 FXAIEYDDNQEOCT-UHFFFAOYSA-N 366.734 3.503 0 40 FHAB COCCn1c(SCc2cc(C)ccc2C)nc2ccccc2c1=O 3493559 YVHRCCGDCQLWCL-UHFFFAOYSA-N 354.475 3.952 0 40 FHAB C[C@@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1 12921821 LUMFQYTXWSFHTG-CYBMUJFWSA-N 369.852 3.777 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)O)cc2)c(Cl)c1 13345606 ZSFGPDPMHQVMTP-WEVVVXLNSA-N 351.811 3.547 0 40 FHAB Cc1nc2ccc(NC(=O)c3cccn(Cc4ccccc4)c3=O)cc2o1 63722334 IEFWXEKGHVKDAQ-UHFFFAOYSA-N 359.385 3.599 0 40 FHAB O=C(NC[C@H]1CCC[C@H](CNC(=O)c2cccs2)C1)c1cccs1 4118700 XJNYOLRKBKVAQA-KBPBESRZSA-N 362.520 3.776 0 40 FHAB CCCCn1cnc2c(c(C)c(C)n2-c2ccc(Br)cn2)c1=N 13729611 WMQZTLBAOVGTSE-UHFFFAOYSA-N 374.286 3.881 0 40 FHAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1COc2ccccc2O1 49940774 QWGDSBJTEHTCKI-INIZCTEOSA-N 351.324 3.504 0 40 FHAB CC(=O)c1cc(Cl)ccc1OCC(=O)N1CCC(c2ccccc2)=N1 14076234 WJHVQRZHIOGEIS-UHFFFAOYSA-N 356.809 3.558 0 40 FHAB CCOc1ccccc1NC(=O)c1ccc(OCc2noc(C)n2)cc1 14197040 HMYAIQOLLUEDQP-UHFFFAOYSA-N 353.378 3.608 0 40 FHAB C[C@H]1CN([C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C[C@@H](C)O1 14158946 XMCFMQAXWOYPAK-OUAUKWLOSA-N 364.795 3.795 0 40 FHAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc(O)cc2)S1 96117469 OINHZXXIAXFGON-CJNGLKHVSA-N 373.478 3.898 0 40 FHAB CC[C@@](C)(C(=O)NC1CCCC1)N(C(=O)c1cccs1)[C@@H]1CCCO1 6440610 PYMKJBXFFNQRFU-LPHOPBHVSA-N 364.511 3.554 0 40 FHAB COc1ccc(Cc2nn3c(-c4cccc(C)c4)nnc3s2)cc1OC 4511664 SWCQWPXVRZMMSY-UHFFFAOYSA-N 366.446 3.769 0 40 FHAB CC(C)CCn1nc(C(=O)NCc2ccc(F)cc2)c2ccccc2c1=O 6508631 QTKOKPBILUQABF-UHFFFAOYSA-N 367.424 3.512 0 40 FHAB COc1ccc2nc(SCC(=O)c3[nH]c(C)c(C(C)=O)c3C)[nH]c2c1 6586687 CGWAKRZDRLQKJI-UHFFFAOYSA-N 357.435 3.694 0 40 FHAB O=C1C[C@@H](c2cccc(F)c2)c2c(c(C(=O)O)cn2-c2cccc(F)c2)N1 66087444 ABSSGPYIXKQBOD-HNNXBMFYSA-N 368.339 3.928 0 40 FHAB COc1ccc(-c2nn3c(COc4ccc(F)cc4)nnc3s2)cc1 6661422 VLINQKKUPCXWTP-UHFFFAOYSA-N 356.382 3.580 0 40 FHAB O=C(CCc1ccsc1)Nc1cc(Cl)ccc1N1CCOCC1 9366227 FSYXNEKYWBLJSW-UHFFFAOYSA-N 350.871 3.809 0 40 FHAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CCCc2ccccc2)cc1 4740427 KTCDTRCNIDNMQQ-INIZCTEOSA-N 374.506 3.725 0 40 FHAB CCCCc1cc(=O)oc2cc(OCC(=O)Nc3nccs3)ccc12 6755248 UJNYAEUBZJNUMV-UHFFFAOYSA-N 358.419 3.610 0 40 FHAB CCOC(=O)C1CCN(C(=O)Cc2coc3ccc4ccccc4c23)CC1 6843510 LOXSOVCSIZLIGM-UHFFFAOYSA-N 365.429 3.930 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)c1C 7086360 KMGSOONCOSPILM-UHFFFAOYSA-N 373.796 3.895 0 40 FHAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cccc(C(=O)OC(C)C)c3)C(=O)[C@H]21 409342464 GJRGSRCGCSMATC-PSBWJHGTSA-N 365.429 3.510 0 40 FHAB COc1ccc(OC)c(CNCCc2c(C)[nH]c3ccc(OC)cc23)c1 19848512 CJNAJEAZKILMNO-UHFFFAOYSA-N 354.450 3.834 0 40 FHAB CC[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1ccccc1 23019574 UZXVPNAGPSETFS-WMZOPIPTSA-N 370.518 3.910 0 40 FHAB CCc1ccccc1Nc1nnc(SCc2ccc(F)cc2)n(C)c1=O 28537358 AOTMTLMFGVBYRV-UHFFFAOYSA-N 370.453 3.913 0 40 FHAB CN(CC12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1ccc(F)c(F)c1F 16737135 ASDAGWRCCCGUOZ-UHFFFAOYSA-N 373.440 3.941 0 40 FHAB COc1cn(-c2ccccc2)nc1C(=O)NCCc1ccc(Cl)cc1 8275632 MKFYQDFZAMGSML-UHFFFAOYSA-N 355.825 3.507 0 40 FHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)CCCc1c[nH]c2ccccc12 8314127 WLEMESJKIBSUPC-UHFFFAOYSA-N 367.424 3.727 0 40 FHAB COc1ccc(Cl)cc1NC(=O)C[C@H]1c2ccccc2CCN1C(C)=O 8767765 CDZZAAACCFUAQX-SFHVURJKSA-N 372.852 3.823 0 40 FHAB Cc1cc(OCn2ccc(C(=O)NCc3cccnc3)n2)cc(C)c1Cl 27972855 AFYWEWMNXAAMPL-UHFFFAOYSA-N 370.840 3.515 0 40 FHAB Cc1nnc(NC(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)s1 69678496 DILCONNNBGBSRQ-GFCCVEGCSA-N 354.382 3.647 0 40 FHAB CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CCOC)C1=O 409141592 VUBZMMZFPMWGLY-SFQUDFHCSA-N 357.431 3.921 0 40 FHAB COCCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3cccs3)cc12 2341762 ZSIXIIOPSAXEQA-UHFFFAOYSA-N 373.430 3.571 0 40 FHAB biogenic O=C(NC1CCCCC1)N(Cc1cccnc1)c1ccc2c(c1)OCCO2 32604004 ILHFNQGNJLQTBL-UHFFFAOYSA-N 367.449 3.902 0 40 FHAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](C)COc1ccc(OC)cc1 30865056 HGRLEDOEBAQMLZ-VQIMIIECSA-N 357.450 3.745 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H]1CNc1cccc(Br)n1 72203342 OSIGMSMZJUWAJD-NSHDSACASA-N 356.264 3.656 0 40 FHAB CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2)c2cccc(C)c21 32096106 OLMZYHKQULSEME-JOCHJYFZSA-N 372.428 3.825 0 40 FHAB CCn1nc(C)cc1-c1nn2c(-c3cc(Cl)ccc3F)nnc2s1 36360230 HSAQLXARVJMMMH-UHFFFAOYSA-N 362.821 3.837 0 40 FHAB Cc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)c3cccnc3)C2)c1 72358695 RTMOVUAFOBVBJX-LJQANCHMSA-N 358.445 3.867 0 40 FHAB Cc1noc([C@H]2CCCN([C@@H](C(=O)O)c3ccc(Cl)cc3Cl)C2)n1 563893150 UWEIZRRFKAFCFM-IINYFYTJSA-N 370.236 3.690 0 40 FHAB CNc1cc(C)c([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72219079 CLOMZIACGATONB-SFHVURJKSA-N 359.495 3.656 0 40 FHAB O=C(CCc1ccc(Cl)cc1)NCc1cccc(N2CCCC2=O)c1 225309160 UPVYHJMPOCWRPM-UHFFFAOYSA-N 356.853 3.716 0 40 FHAB CC(C)c1ccccc1OCCNC(=O)CCc1ccc2c(c1)OCO2 223827141 MGGMGKOUZJUKNS-UHFFFAOYSA-N 355.434 3.667 0 40 FHAB CC(C)CCNC(=O)[C@@]1(Cc2ccccc2)NC(=O)c2ccccc2S1 41128169 HWOUWPPEHXRNNT-NRFANRHFSA-N 368.502 3.623 0 40 FHAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1 225611453 XQWNQTBWYQCCGV-DYESRHJHSA-N 362.514 3.941 0 40 FHAB Cc1nc(C(C)C)ncc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 222573593 ZZTNOAUQOHWFAW-UHFFFAOYSA-N 358.873 3.524 0 40 FHAB COC(=O)C1CCN(C(=O)c2sc(-c3ccc(C)cc3C)nc2C)CC1 63636192 SLMRLOWCESKEBQ-UHFFFAOYSA-N 372.490 3.761 0 40 FHAB COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2CC(C)C)cc1 49466898 HKAVJJZFWLVSAZ-OALUTQOASA-N 353.418 3.717 0 40 FHAB CC[C@@H](NC(=O)CCc1ccc(C)c(C)c1)c1ccc(S(C)(=O)=O)cc1 223015219 RMCJWCOEWXOYJK-HXUWFJFHSA-N 373.518 3.907 0 40 FHAB O=C(Cc1cccc(F)c1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 40081820 RRQOZBZQOGKDJC-FQEVSTJZSA-N 363.436 3.807 0 40 FHAB CC1(C)OC[C@H]2C[C@]21NC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 528874797 IGJVONTUHNEJHU-XIKOKIGWSA-N 361.442 3.562 0 40 FHAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 40140868 NSQADSWRDFKNFN-NWDGAFQWSA-N 360.351 3.591 0 40 FHAB COC(=O)c1cc(NC(=O)C(Cl)(Cl)Cl)ccc1OCC(C)C 225783469 NFOYXEPBUXYOFD-UHFFFAOYSA-N 368.644 3.817 0 40 FHAB O=C(c1ccc(CN2CCSCC2)cc1)c1cc(F)c(F)c(F)c1 85651307 HDSQKBOXPXCETR-UHFFFAOYSA-N 351.393 3.884 0 40 FHAB c1ccc(CCN2CCC[C@]3(C[C@H](CNc4nccs4)CO3)C2)cc1 96075711 ODTCPRFBVSPXNF-QUCCMNQESA-N 357.523 3.669 0 40 FHAB CCO[C@](C)(C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1)C1CC1 260814679 MFRTUJJWHVWCIW-JTSKRJEESA-N 374.525 3.941 0 40 FHAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@@H](C(=O)O)c2ccccc21 669436130 AUWFRASGABZAAI-CYBMUJFWSA-N 364.323 3.628 0 40 FHAB CC[C@@H]1CN(C(=O)c2cccc(N[C@@H](C)C(C)C)c2C)C[C@@]2(CCOC2)O1 684523865 NKVWJILJPNTRQV-NJNPRVFISA-N 374.525 3.862 0 40 FHAB CCOc1ccc(-c2nn3c(CSCC)nnc3s2)cc1OCC 1775972177 KVUZGAFDDMMFSD-UHFFFAOYSA-N 364.496 3.903 0 40 FHAB Cn1ccnc1[C@H](NC(=O)CCCCCn1cccc1)c1ccccc1 604418710 NYVDLDUGRWCIAX-HXUWFJFHSA-N 350.466 3.688 0 40 FHAB O=C(Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1)[C@H]1CCCO1 72276841 MBIKPFLCRMJACV-CQSZACIVSA-N 351.328 3.962 0 40 FHAB O=C(NC1CCCCC1)c1snc(-c2ccccn2)c1NC(=O)C1CC1 49007797 KMRRSFQHDLHZQG-UHFFFAOYSA-N 370.478 3.616 0 40 FHAB Nc1ncnc(N2CCC[C@H]2c2ccc(Br)s2)c1Cl 584522975 OTEBXKMBDWKGRK-ZETCQYMHSA-N 359.680 3.878 0 40 FHAB O=C(CSCc1ccccc1)NCC1(c2ccsc2)CCOCC1 952989851 OLMLVPGNCXIPMY-UHFFFAOYSA-N 361.532 3.846 0 40 FHAB C[C@@H]1C[C@@H](C)CN(C(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)C1 1009830 PTDGAQBCSQJBSV-OJTJRJJXSA-N 352.434 3.555 0 40 FHAB COc1ccc(CN2Cc3cc4ccc(OC)cc4nc3OC2=O)cc1 12222598 BNSGSKFYVYBOEA-UHFFFAOYSA-N 350.374 3.767 0 40 FHAB CCCC[C@H]1[C@H]2C(=O)N(c3ccccc3C)C(=O)[C@H]2ON1c1ccccc1 13511353 SXZFTHLDQXMSFV-ZCNNSNEGSA-N 364.445 3.864 0 40 FHAB Cc1cccc(N2C[C@H](C(=O)NCc3cccc(Cl)c3)CC2=O)c1C 14262181 GWFHGLBNNCDSNS-MRXNPFEDSA-N 356.853 3.626 0 40 FHAB CCCC(=O)N1CCC[C@@](Cc2ccc(-c3ccccc3)cc2)(C(N)=O)C1 19501188 ZBHLKQXJVPPCHU-QHCPKHFHSA-N 364.489 3.790 0 40 FHAB CCc1noc(CC)c1C(=O)N1CCC[C@H](c2cc3ncccc3[nH]2)C1 19521319 OQNRTBBBWUUERS-ZDUSSCGKSA-N 352.438 3.696 0 40 FHAB CCc1sc(NC(=O)[C@@H](C)n2ccnc2)nc1-c1ccc(OC)cc1 19521607 OVNFFCABDSQNGN-GFCCVEGCSA-N 356.451 3.777 0 40 FHAB Cc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c2c(C)nn(C)c2n1 19716314 QXFVXRXMPNWSHP-MRXNPFEDSA-N 364.449 3.617 0 40 FHAB CC(C)[C@H](NC(=O)c1cnn2c1OCCC2)c1cccc(C(F)(F)F)c1 550110138 KKSKZYYAWKBOPA-HNNXBMFYSA-N 367.371 3.812 0 40 FHAB CCOc1ccc([C@@]2(O)CN(c3cccc(C)c3)C3=[N+]2CCCC3)cc1 2966465 AYVUSZORELEFSU-QFIPXVFZSA-N 351.470 3.654 0 40 FHAB Cc1cc2nc(N3CCN(C(=O)c4cccs4)CC3)sc2cc1C 5299319 OMHOATQJBZVBGJ-UHFFFAOYSA-N 357.504 3.937 0 40 FHAB O=C(NC[C@]1(O)C=CCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 618257318 VJQKVJNOCRMYLN-AWEZNQCLSA-N 367.289 3.925 0 40 FHAB COc1ccc(-c2nc(C(=O)Nc3ccnc(C)c3)cs2)cc1OC 10165210 GWDZPJFOPVGCJW-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB CC(C)[C@@H](NC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1cccs1 40024005 LEEUYKMAUDKOGP-MEDUHNTESA-N 359.451 3.986 0 40 FHAB CC(=O)c1ccccc1NCC(=O)Nc1c(C)nn(-c2ccccc2)c1C 30291492 SZXHPDMEORKTII-UHFFFAOYSA-N 362.433 3.742 0 40 FHAB C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(N2CCCC2=O)cc1 31700428 OWTDCCBYFACYBP-HNNXBMFYSA-N 364.445 3.708 0 40 FHAB COc1cccc([C@@H]2CC(=O)Nc3n[nH]cc32)c1OCc1cccc(F)c1 20745185 KGZVRVVCEKKNMR-HNNXBMFYSA-N 367.380 3.611 0 40 FHAB CN(C)[C@H](CNCc1ccc(-n2ccnc2)cc1)c1ccccc1Cl 32735868 REMOQXIWHIZBOE-HXUWFJFHSA-N 354.885 3.918 0 40 FHAB Cc1nc2ccccc2n1CCNC(=O)c1sccc1-n1cccc1 32899541 NHFFYVVFOKAIEX-UHFFFAOYSA-N 350.447 3.627 0 40 FHAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(C)CC(=O)Nc2cccc(F)c2)o1 32836621 GXXNPYFLEBYCFA-TZHILJJTSA-N 356.397 3.652 0 40 FHAB CCN(CC)C1=NC(=O)[C@@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)S1 22195128 DCDQVFKXYSYDHH-GFCCVEGCSA-N 374.293 3.662 0 40 FHAB CCC(=O)N(Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O 1358606 VGHBLGLUMNWRMW-UHFFFAOYSA-N 364.445 3.784 0 40 FHAB COc1ccc([C@@H]2CCCCC[C@H]2SCC(=O)O)c(OC)c1OC 1751508 ATSFFHQJSIKTHL-SWLSCSKDSA-N 354.468 3.947 0 40 FHAB C[C@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1S2)[C@@H]1C[C@H]2CC[C@H]1C2 104896203 OFQGHFPECRBQRL-ZSORPBTDSA-N 356.491 3.556 0 40 FHAB CC(C)c1ccccc1NC(=O)CSc1nnc(C2CCCCC2)n1N 2384448 PFAJYSYPFWYUQW-UHFFFAOYSA-N 373.526 3.894 0 40 FHAB O=C(COC(=O)c1ccccc1NCc1ccco1)Nc1ccccc1 3496718 NCIFFWLLIAJZEY-UHFFFAOYSA-N 350.374 3.687 0 40 FHAB COc1cccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)c1 4093679 FGAGATOZKQVQMN-UHFFFAOYSA-N 358.401 3.990 0 40 FHAB CC[C@H]1c2ccsc2CCN1C(=O)Nc1cccc(N2CCNC2=O)c1 47893476 HNZVRMCDGVVAAC-INIZCTEOSA-N 370.478 3.819 0 40 FHAB O=C(Nn1cnc2ccccc21)c1cc(Br)ccc1Cl 12551806 VYSAOWBCPNBTKI-UHFFFAOYSA-N 350.603 3.836 0 40 FHAB CN(C)CCN1C(=O)CC[C@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 4705795 TZYDTPVLMWSHME-KDLOKWSHSA-N 374.569 3.658 0 40 FHAB in-vitro C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1cccc(Br)c1 24369615 GUPVKNTXMOEHKV-GFCCVEGCSA-N 371.234 3.903 0 40 FHAB O=C(CSc1nnc(-c2ccccc2F)o1)NCCCc1ccccc1 6785511 WQNGWRWIWANOFX-UHFFFAOYSA-N 371.437 3.717 0 40 FHAB O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)C1)Nc1cccc(F)c1 106866936 BSAAOHVDBOJIDI-IUVQAAGXSA-N 373.472 3.622 0 40 FHAB O=C(N[C@H]1CCc2ccccc21)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 57416576 RBAIQYUAUYYABJ-UGSOOPFHSA-N 372.827 3.636 0 40 FHAB CC(C)NC(=O)CSc1nccn2nc(-c3ccc(Cl)cc3)cc12 35506094 PGUHHUQHLPAWHT-UHFFFAOYSA-N 360.870 3.666 0 40 FHAB COc1cccc(OC)c1C(=O)Nc1nc(COc2ccccc2)cs1 3217189 IFFBSEHGHLXECR-UHFFFAOYSA-N 370.430 3.992 0 40 FHAB CCC(=O)c1ccsc1NC(=O)C[C@@H]1Nc2cc(C)c(C)cc2NC1=O 9871070 QERRGTKZZMXXKU-HNNXBMFYSA-N 371.462 3.719 0 40 FHAB CS(=O)(=O)Nc1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1 24881407 PPTHJVZICUZHLN-UHFFFAOYSA-N 359.234 3.617 0 40 FHAB CCC(=O)Nc1cccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)c1 72309363 QZOXIJRMMAKDQX-SFHVURJKSA-N 373.884 3.721 0 40 FHAB C[C@H](NC(=O)C1CCCC1)c1cc(O)n2nc(-c3cccs3)cc2n1 100769328 ITUQUHDSAYTQDF-NSHDSACASA-N 356.451 3.531 0 40 FHAB CCn1ncc2c(C(=O)Nc3nccs3)cc(-c3cccs3)nc21 11326635 RUPFCFTZUWXHML-UHFFFAOYSA-N 355.448 3.889 0 40 FHAB O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cccnc1Cl 11483116 KCBYDUVSPNBRJE-UHFFFAOYSA-N 358.747 3.744 0 40 FHAB Cc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2O)c1C 12743010 HXCHSHDJHGLQMX-UHFFFAOYSA-N 353.447 3.926 0 40 FHAB CC(C)[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1cccs1 24317317 IVUNYUBBRSIEBA-HXUWFJFHSA-N 373.474 3.996 0 40 FHAB CN(Cc1cccc(Cl)c1)C(=O)Cc1ccc(N2CCCC2=O)cc1 12779928 QBQUBGCQROJJAU-UHFFFAOYSA-N 356.853 3.668 0 40 FHAB O=C(CCc1nc2ccccc2s1)NCc1cnn(-c2ccccc2)c1 11560581 OHRGIHOKZBPMAH-UHFFFAOYSA-N 362.458 3.731 0 40 FHAB CC(C)CN1CCC(NC(=O)CCCc2nc3ccccc3s2)CC1 46049857 HNOPXEYETAAUOT-UHFFFAOYSA-N 359.539 3.856 0 40 FHAB Cc1c(-c2nnnn2-c2ccc(Cl)cc2)cnc2cc3c(cc12)OCO3 2597190 ONBNSJCHVPGWPG-UHFFFAOYSA-N 365.780 3.568 0 40 FHAB O=C(Cn1c(=O)oc2ccccc21)Nc1ccccc1Cc1ccccc1 2638757 NHOVJAZNXCWSRV-UHFFFAOYSA-N 358.397 3.824 0 40 FHAB CC(=O)[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Br)cc3)=NN12 28467421 SGASZZNXZRENLB-WMZOPIPTSA-N 371.234 3.908 0 40 FHAB COC(=O)C[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118929059 AHQOETYKJDAWOY-VAHRBOLPSA-N 362.510 3.604 0 40 FHAB CCn1c(S[C@@H](C)C(=O)NC2CCCC2)nnc1-c1cccs1 3516821 PYWVGBDYERASCL-NSHDSACASA-N 350.513 3.566 0 40 FHAB O=C(/C=C/c1ccccc1OC(F)F)Nc1ccc(-n2cncn2)cc1 12943848 DGRGTMDZOKTDLR-BJMVGYQFSA-N 356.332 3.521 0 40 FHAB COc1ccc([C@H](NC(=O)NCc2ccc3c(c2)OCCO3)C(C)C)cc1 12972292 XCGNOCIWTNLWPW-HXUWFJFHSA-N 370.449 3.663 0 40 FHAB CCCN1C(=O)[C@@](O)(CC(=O)c2ccc(-n3cccc3)cc2)c2ccccc21 4122636 FOCPGGWQWAKRHR-HSZRJFAPSA-N 374.440 3.695 0 40 FHAB O=C(O[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cncc2ccccc12 96012721 MDNXWRBWGUGCOB-LJQANCHMSA-N 364.376 3.551 0 40 FHAB Cc1ccc(F)c(C(=O)O[C@H](C(=O)Nc2ccccc2F)C(C)C)c1N 95392575 LPHTXOMWQRKSCS-KRWDZBQOSA-N 362.376 3.676 0 40 FHAB O=C(Nc1cccc(Cl)c1)c1nn(-c2cccc(Cl)c2)ccc1=O 5451073 ASTZKLSBNTWEGC-UHFFFAOYSA-N 360.200 3.792 0 40 FHAB O=C(Nc1ccc(Cl)cc1F)[C@@H]1CC(=O)N(CCc2ccccc2)C1 6638378 ODOIPIAOCRZNKA-CQSZACIVSA-N 360.816 3.509 0 40 FHAB C[C@@H]1CCc2c(C(=O)Nc3ccn(Cc4ccncc4)n3)csc2C1 84700253 VHYQLQBJOGKEEG-CYBMUJFWSA-N 352.463 3.765 0 40 FHAB COc1ccccc1CN(C)[C@H](C)C(=O)N[C@@H]1CCCc2ccccc21 6881546 WDBCAYZDCREMJO-OXQOHEQNSA-N 352.478 3.709 0 40 FHAB C[C@H](NC(=O)CN(C)[C@@H]1CCCc2ccccc21)c1ccc2c(c1)OCO2 15291680 OYELSPUMAYANNP-HNAYVOBHSA-N 366.461 3.602 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4976850 WAICTUHVRDQKRN-ZFWWWQNUSA-N 354.837 3.671 0 40 FHAB COC(=O)c1ccc(C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)cc1 9479961 NTLOYGYLAPJCST-UHFFFAOYSA-N 366.369 3.553 0 40 FHAB COc1cc(NC(C)=O)c(Cl)cc1C(=O)N1c2ccccc2C[C@@H]1C 9489230 SSDKCDWRMMPTCF-NSHDSACASA-N 358.825 3.898 0 40 FHAB CCN(C(=O)COC(=O)COc1ccc(Cl)c(C)c1)c1ccccc1 8276855 PBBWWNDOUGLTST-UHFFFAOYSA-N 361.825 3.624 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCCc2ccc(Cl)cc2)C1 8275721 CPPDAEYSTLDKGE-OAHLLOKOSA-N 366.889 3.646 0 40 FHAB CCC[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2ON1c1ccccc1 18128069 LTTLSGHQIKASEQ-KURKYZTESA-N 370.836 3.819 0 40 FHAB Cc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)Nc3cc(C)on3)cs2)cc1 18530047 BCBPPCOINRLVOL-LBPRGKRZSA-N 371.418 3.599 0 40 FHAB CN(c1ccccc1)C1CCN(C(=O)c2cnc([C@@H]3CCCO3)s2)CC1 89758869 PNBFWJWAFWBEEZ-KRWDZBQOSA-N 371.506 3.736 0 40 FHAB Cc1occc1C(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 22183334 HTNKQGIGGOZPRW-UHFFFAOYSA-N 367.474 3.670 0 40 FHAB O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2CN(Cc3ccsc3)C[C@@H]21 306140208 UNABMRBKHZNBML-HKUYNNGSSA-N 371.483 3.763 0 40 FHAB COCCn1ccnc1[C@H]1CN(Cc2cccs2)Cc2ccccc21 306123493 AOWKTXYAYJEAJL-IBGZPJMESA-N 353.491 3.739 0 40 FHAB CCc1nc2cc3c(cc2n1CC(=O)Nc1c(C)cccc1C)OCCO3 64795125 NURNJVXGMXMJTJ-UHFFFAOYSA-N 365.433 3.625 0 40 FHAB CN(CCN(C)c1ccccc1)Cc1cccc(C(=O)N2CCCCC2)c1 518626943 CPOVFLVQDYJMFD-UHFFFAOYSA-N 365.521 3.881 0 40 FHAB CCCC[C@@H](CC)COc1cc(C(=O)OC)c(OC)cc1C(=O)OC 3848712 PKYKQSDTAQUFDB-CYBMUJFWSA-N 352.427 3.864 0 40 FHAB biogenic CN(CC1CCCCC1)C(=O)CN1CCC(c2c[nH]c3ncccc23)CC1 533380987 NXCABTIMVYNBES-UHFFFAOYSA-N 368.525 3.781 0 40 FHAB Cc1ccccc1CSc1nnc(NC(=O)c2c(C)noc2C)s1 35671704 LOKGUCVRMOGUKO-UHFFFAOYSA-N 360.464 3.996 0 40 FHAB CCOc1ccc(CCCNC(=O)[C@H](C)Oc2cccc(OC)c2)cc1 219305669 UBUJWDCMPJYVFW-INIZCTEOSA-N 357.450 3.610 0 40 FHAB Cc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)Cc3cccnc3)C2)c1 72358815 SYSMNBVAJDFMPT-HXUWFJFHSA-N 372.472 3.796 0 40 FHAB CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)/C=C\c1ccccc1 71980502 ILKBJUMPNXIDHL-VNKQQBGWSA-N 371.477 3.944 0 40 FHAB Cn1cc(CN(Cc2ccccc2F)C2CC(C)(C)NC(C)(C)C2)cn1 36740476 JYZOCRUMSIBGJQ-UHFFFAOYSA-N 358.505 3.871 0 40 FHAB CCCCc1ccc(NC(=O)COC(=O)Cc2ccccc2OC)cc1 72333735 WNYYONOLQAPGEJ-UHFFFAOYSA-N 355.434 3.762 0 40 FHAB CCOC(=O)c1cccc(NC(=S)NCc2cccc(OCC)c2)c1 225439977 QESRVNXLFJTEHP-UHFFFAOYSA-N 358.463 3.749 0 40 FHAB COc1ccc2oc(=O)c(C(=O)N[C@H](C)c3ccc(Cl)cc3)cc2c1 226038615 HFSXGMXKSVAQLG-LLVKDONJSA-N 357.793 3.946 0 40 FHAB CCCC[C@@H](CC)CNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 224406127 QEBZXWSAMOTKFV-GFCCVEGCSA-N 360.907 3.658 0 40 FHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 225004703 MTXCBDONXWRDDX-LJQANCHMSA-N 374.868 3.973 0 40 FHAB CCOc1ccc(NC(=O)NCC2CCN(c3ccnc(C)c3)CC2)cc1 244933223 CHZJPOLCFXEHQG-UHFFFAOYSA-N 368.481 3.827 0 40 FHAB Cc1csc(-c2cc(CC3CCN(C(=O)C(C)(C)C)CC3)ncn2)n1 257292655 QMLYHGDKVKVZRU-UHFFFAOYSA-N 358.511 3.736 0 40 FHAB CCOc1cc(-c2cc(-c3cc(C)c(O)c(C)c3)nn2CCO)ccc1O 257320828 VYUIIVURUKFKIZ-UHFFFAOYSA-N 368.433 3.636 0 40 FHAB Cc1cc(N2CCC(CNC(=O)c3nc4ccccc4s3)CC2)ccn1 253394695 BISGCHOPFSEOGT-UHFFFAOYSA-N 366.490 3.646 0 40 FHAB CC(C)(C)OC[C@H]1CCCN1c1ccc2nnc(-c3ccccc3)n2n1 1643164345 YJRCAHNHBGYANP-MRXNPFEDSA-N 351.454 3.575 0 40 FHAB O=C(c1cc(N2CCCC2=O)ccc1Cl)N1CCC=C(c2ccco2)C1 671855498 YGRXXWRVLCNREI-UHFFFAOYSA-N 370.836 3.989 0 40 FHAB NC(=O)/C=C/c1ccc(-c2cc(Br)ccc2Br)o1 675030625 ASPPZGKRBVJVBA-ZZXKWVIFSA-N 371.028 3.970 0 40 FHAB Cc1noc(Cc2ccccc2NC(=O)CSc2ccc(F)cc2)n1 96097061 YNVOVLDPRVWCPK-UHFFFAOYSA-N 357.410 3.839 0 40 FHAB CO[C@H]1CN(C(=O)/C=C/c2csc(C)n2)CC[C@@H]1Cc1cccc(C)c1 585289859 LGBIAOHPFXWVQL-TWPWWVQHSA-N 370.518 3.879 0 40 FHAB Cc1noc(C)c1CN1CCC(COc2cc(C3CCC3)ncn2)CC1 1565521961 GIQJSTABDUHJDN-UHFFFAOYSA-N 356.470 3.640 0 40 FHAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cc2ccccc2o1 5675222 NNGFRPCNJWKOJF-UHFFFAOYSA-N 352.390 3.542 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc(COc3ccccc3)o2)c1C 12249407 QFNYXQRHFWCQGA-UHFFFAOYSA-N 369.446 3.996 0 40 FHAB COc1ccccc1C1(O)CCN(Cc2ccc3c(c2)C[C@@H](C)O3)CC1 12293067 ZDSJXVXGWLUCJT-MRXNPFEDSA-N 353.462 3.502 0 40 FHAB CCc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 13583040 SMQPVAHGELXUAE-UHFFFAOYSA-N 372.490 3.594 0 40 FHAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 13673588 HDQSBWAGJAJKAW-UHFFFAOYSA-N 353.827 3.626 0 40 FHAB CCOc1ccc(/C=C2/N=C(c3cccc(OC)c3)OC2=O)cc1OCC 4616519 HLLLSNZJQBTUFQ-GZTJUZNOSA-N 367.401 3.837 0 40 FHAB Cc1ccccc1N1CCN(C(=O)Nc2cc(-c3ccoc3C)on2)CC1 683804531 ZJPKZEUCHLQOPE-UHFFFAOYSA-N 366.421 3.906 0 40 FHAB Fc1ccc([C@@H]2CN(Cc3n[nH]cc3Br)CCO2)cc1Cl 1663736447 YYBPCQMOBRVEPC-AWEZNQCLSA-N 374.641 3.538 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1ccc(N)cc1Br 36738497 QAZGKZLKASOZOJ-UHFFFAOYSA-N 355.619 3.946 0 40 FHAB O=C(CSc1ccc(-c2ccco2)nn1)NCc1ccccc1Cl 4357961 VXEFVRXHVQLCES-UHFFFAOYSA-N 359.838 3.799 0 40 FHAB Cc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2CCC(C)CC2)cc1 23156846 CHPBFHBJPCBIBE-INIZCTEOSA-N 356.495 3.935 0 40 FHAB O=C(Nc1cccc2ccc(-n3ccnc3)nc12)c1cc(-c2ccco2)on1 49028021 NWDBAZHNAZQJEP-UHFFFAOYSA-N 371.356 3.921 0 40 FHAB O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1cnccn1 71814250 IWFFGJXWAVJUDD-UHFFFAOYSA-N 352.781 3.635 0 40 FHAB Cc1noc(C)c1CSc1ncccc1C(=O)NCc1ccc(O)cc1 40051083 CPJAGAMULXEOJO-UHFFFAOYSA-N 369.446 3.614 0 40 FHAB O=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1ccccc1NCCO 40034686 GIWQDAOQKRQJOD-UHFFFAOYSA-N 372.808 3.756 0 40 FHAB Cc1nc(CN2CCN(C(=O)c3cc4ccccc4s3)CC2)cs1 31259790 WNYRXSKBMUNCHY-UHFFFAOYSA-N 357.504 3.624 0 40 FHAB Cc1c(C(=O)N(C)C[C@H]2COc3ccccc3O2)oc2ccc(F)cc12 32718936 YWGSQDKUCWTYFR-AWEZNQCLSA-N 355.365 3.792 0 40 FHAB CCOc1cc2c(cc1CNC(=O)NCCc1ccccc1C)O[C@@H](C)C2 32863373 YLHIEILYJVVZOO-INIZCTEOSA-N 368.477 3.759 0 40 FHAB CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc(F)cc2C)c1 32906718 LPNOJYIDAVWRAW-UHFFFAOYSA-N 353.415 3.732 0 40 FHAB Cc1ccc(/C=C/c2nc(SCC(=O)N(C)Cc3ccc(C)o3)n[nH]2)o1 32903492 BMPDLDFPGASSNL-CMDGGOBGSA-N 372.450 3.529 0 40 FHAB CNC(=O)c1ccccc1NC(=O)c1sc(-c2ccc(C)o2)nc1C 33160789 CRNZXLYQWXHFMO-UHFFFAOYSA-N 355.419 3.632 0 40 FHAB Cc1cc(C)c(-c2csc(NC(=O)CN3C[C@H](C)O[C@@H](C)C3)n2)cc1C 22240606 MNTGVMMABXKRLB-HOTGVXAUSA-N 373.522 3.783 0 40 FHAB CC(C)CNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 821556 CEWUUPBXLZBWLL-OAQYLSRUSA-N 368.502 3.847 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)c3ccccc3F)o2)cc1OC 882380 HWOFEGCJAXJRRI-UHFFFAOYSA-N 374.393 3.868 0 40 FHAB CC1CCC2(CC1)CCN(C(=O)NCC[S@](=O)c1ccccc1F)C2 77853121 DRKZUHRYQMYRPI-VKNUARCASA-N 366.502 3.545 0 40 FHAB CSCC[C@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)C(=O)O 1668568 OZWJUQFCMGFZLN-QMMMGPOBSA-N 356.658 3.583 0 40 FHAB COc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(Cl)cc3)C2=O)cc1 4039996 OTZHAUCHOQMGOU-UHFFFAOYSA-N 363.200 3.784 0 40 FHAB C[C@H](NC(=O)c1cc2c(nc3sccn32)s1)c1ccc2c(c1)OCO2 54910072 OHPIOFMNCKKUBL-VIFPVBQESA-N 371.443 3.830 0 40 FHAB O=C(CSc1ncnc2sc3c(c12)CCC3)NCc1cccs1 4538973 YNHIMXZABYFHTR-UHFFFAOYSA-N 361.517 3.650 0 40 FHAB CC(C)Cn1c(SCC(=O)N2CCCCC2)nnc1-c1ccccc1 6327401 VEZGHIICAOEIKI-UHFFFAOYSA-N 358.511 3.706 0 40 FHAB Cc1ccc(-c2nnc3sc(NC(=O)c4ccc(F)cc4)nn23)cc1 6818063 JSWARLRRFPOAMZ-UHFFFAOYSA-N 353.382 3.553 0 40 FHAB Cc1cccc(NC(=O)CN(C)C(=O)c2cc(-c3ccccc3)on2)c1C 24862505 SAMMDNYODXOLQG-UHFFFAOYSA-N 363.417 3.669 0 40 FHAB CCCOc1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)c(C)c1 55990227 KOAACHJYAJHKKW-UHFFFAOYSA-N 370.449 3.868 0 40 FHAB O=C(c1cc(=O)c2ccccc2o1)N(Cc1ccccc1)C[C@@H]1CCCO1 56149818 XIKFBTVWYVOGOV-KRWDZBQOSA-N 363.413 3.614 0 40 FHAB Cc1nc(C)c([C@@H](C)NC(=O)Nc2cccc(N3CCCC3=O)c2)s1 56574119 QUROGZFTBWNZSO-GFCCVEGCSA-N 358.467 3.769 0 40 FHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)cc2C)cc1 8413369 FRGDSTUSPRXICD-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB O=C(N/N=C/c1ccc(-c2ccccc2C(=O)O)o1)c1ccc(F)cc1 8812233 OMEULYSIOSYKJX-SRZZPIQSSA-N 352.321 3.548 0 40 FHAB O=C(CNC(=O)c1ccccc1Cl)OCc1cccc(C(F)(F)F)c1 3276596 SATXEZQNDAQSEK-UHFFFAOYSA-N 371.742 3.832 0 40 FHAB Cc1cc(NC(=O)[C@H](C)Nc2ccc(NC(=O)c3cccs3)cc2)on1 58192815 CSDYPHGELHEGFE-LBPRGKRZSA-N 370.434 3.736 0 40 FHAB CCN(CC)c1ccc(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cn1 48173576 NMPMUOGXAPEYJD-SFHVURJKSA-N 372.444 3.672 0 40 FHAB C[C@H](Cn1ccnc1)NC(=O)Nc1cccc(OCc2cccc(F)c2)c1 48162724 DSHOEKKLJYRHTF-OAHLLOKOSA-N 368.412 3.811 0 40 FHAB Cc1ccc([C@H](CNC(=O)COc2cccc(C)c2C)N2CCCC2)cc1 27793081 HBGQUAHWHRDMHL-NRFANRHFSA-N 366.505 3.944 0 40 FHAB Cc1nnc([C@@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)s1 23140527 MALCPDRBEFYMFS-GFCCVEGCSA-N 355.385 3.885 0 40 FHAB CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1F 2397106 CLJIJIFISDTYTN-HOYKHHGWSA-N 351.358 3.911 0 40 FHAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2cccc(Cl)c2)CC1 100809447 OJAGFVBDIJMXNB-GASCZTMLSA-N 352.862 3.906 0 40 FHAB Cn1c(C(=O)Nc2cccc3ccccc23)cc2c(=O)n3ccccc3nc21 2438330 VWMXYZXOABKRER-UHFFFAOYSA-N 368.396 3.592 0 40 FHAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)/C=C/c1ccccc1 3334455 ZAJPQMVLHLYEBG-JLHYYAGUSA-N 356.853 3.518 0 40 FHAB O=C(c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)N1CCCCC1 11559040 LUVVTFVEAUXSSD-UHFFFAOYSA-N 356.426 3.761 0 40 FHAB O=C(NCc1ccc(-n2ccnc2)cc1)c1ccccc1Br 115994833 IHXLLLWVGDACKC-UHFFFAOYSA-N 356.223 3.565 0 40 FHAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(CN2CCCC2)cc1 24114994 NCQJYGPGIHTHPB-MRXNPFEDSA-N 356.441 3.505 0 40 FHAB Cc1ccc(N2C(=O)S[C@@H](Nc3ccc(C(=O)O)cc3)C2=O)cc1C 2709847 VQWJATGQWFIUOU-OAHLLOKOSA-N 356.403 3.640 0 40 FHAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC(Cc2ccccc2)CC1 3434601 WVFZAFPLXLNKJY-MRXNPFEDSA-N 366.461 3.697 0 40 FHAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)[C@@H]1Cc2ccccc2O1 12997860 SFIRYXNJTVDVPJ-SFHVURJKSA-N 364.426 3.687 0 40 FHAB COc1ccc(NC(=O)c2ccc(C(N)=O)cc2)cc1Cc1ccccc1 12907431 VBIKWGQZAXVKBN-UHFFFAOYSA-N 360.413 3.637 0 40 FHAB O=C(Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CCN(Cc2ccccc2)C1 13003227 UBYBEHYDZSYWIY-GOSISDBHSA-N 362.395 3.639 0 40 FHAB CCOc1c(Cl)cc(CNC(=O)[C@@H](C)NC(C)(C)CC)cc1OC 96013683 IVPILHPOKSXHAA-GFCCVEGCSA-N 356.894 3.530 0 40 FHAB CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 3893141 MQAUKKKYKAOLLM-UHFFFAOYSA-N 358.463 3.765 0 40 FHAB Cc1ccccc1OCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 14094515 PEEKEDHEATVVKT-QGZVFWFLSA-N 353.418 3.509 0 40 FHAB CCCC[C@@H](CC)CNC(=O)[C@@H](C(=O)c1ccccc1)n1ccccc1=O 4548289 QQADIGBZXCAATD-YLJYHZDGSA-N 368.477 3.605 0 40 FHAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(C)cc1Br 4660773 VUYBNQWAZFTOPS-UHFFFAOYSA-N 370.268 3.875 0 40 FHAB CC(C)=CCOc1ccc2c(C)c(CC(=O)NC3CC3)c(=O)oc2c1C 6624104 PWQCZMNNVCSCKM-UHFFFAOYSA-N 355.434 3.576 0 40 FHAB biogenic CS(=O)(=O)N(Cc1ccc(Br)cc1)c1ccccc1F 9426016 GSTAZQZYCUBNBX-UHFFFAOYSA-N 358.232 3.554 0 40 FHAB Cc1cc(Br)cc(Cl)c1OCC(=O)NCc1ccco1 6790303 ZJKOVUZOGZFOKK-UHFFFAOYSA-N 358.619 3.699 0 40 FHAB O=C(CCc1cc(Cl)no1)NCCc1c[nH]c2ccc(Cl)cc12 9420103 UVHSWOPOODECDR-UHFFFAOYSA-N 352.221 3.754 0 40 FHAB Cc1cccc(C)c1NC(=O)CN(C)[C@@H](C)c1ccc(-n2cncn2)cc1 9446048 FAARFNUZNJIOLQ-KRWDZBQOSA-N 363.465 3.516 0 40 FHAB O=C(Cn1c(CO)nc2ccccc21)Nc1ccccc1Oc1ccccc1 6909365 KDCQGJWHOICCPP-UHFFFAOYSA-N 373.412 3.960 0 40 FHAB CCc1ccc(-n2cc(C(=O)NCc3ccc(C(F)(F)F)cc3)nn2)cc1 67262109 JHVGVUSJWWBFNV-UHFFFAOYSA-N 374.366 3.779 0 40 FHAB O=S(=O)(Nc1cccnc1Nc1ccc(Cl)cc1)c1cccnc1 84425201 TVMMCAXBHUZWRT-UHFFFAOYSA-N 360.826 3.674 0 40 FHAB COc1cc(/C=C/C(=O)Nc2ccc(F)c(Cl)c2)cc2c1OCCO2 7211792 TUMTZQCMEIXQPA-GORDUTHDSA-N 363.772 3.911 0 40 FHAB Cc1ccc([C@@H](CNC(=O)COc2ccc(C)c(C)c2)N2CCCCC2)o1 15860195 QIHLVXKAORASOU-HXUWFJFHSA-N 370.493 3.927 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 16145861 UYLHEHNGGOUQHF-UHFFFAOYSA-N 361.445 3.967 0 40 FHAB CC(C)c1ccc(-n2nnnc2S[C@@H](C)C(=O)N2CCCCCC2)cc1 7876415 DGWXYQKWDRENJZ-HNNXBMFYSA-N 373.526 3.669 0 40 FHAB O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(F)cc1F 7927221 HNMWNVCFIIVWER-AWEZNQCLSA-N 366.433 3.646 0 40 FHAB COc1ccccc1NC(=O)c1nnn(-c2cc(C)ccc2Cl)c1C 8022311 LKOOQIDNTURMIU-UHFFFAOYSA-N 356.813 3.798 0 40 FHAB CSCc1cccc(C(=O)N(C)CC(=O)Nc2cc(C)ccc2C)c1 8185411 XUJZNXABRQAUOL-UHFFFAOYSA-N 356.491 3.877 0 40 FHAB O=C(c1cncn1-c1ccccc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 8707755 SWRFQHBIGWNTLE-INIZCTEOSA-N 371.444 3.768 0 40 FHAB Clc1ccc(-c2nnn(Cc3cc(Cl)cc4c3OCOC4)n2)cc1 8718114 OXHGLSXJHJCYRW-UHFFFAOYSA-N 363.204 3.562 0 40 FHAB COC(=O)c1ccc(COC(=O)c2sc(-c3cccs3)nc2C)o1 19298483 NQZMIVDHVWXRTJ-UHFFFAOYSA-N 363.416 3.917 0 40 FHAB COCCN1CCN(Cc2cnc(-c3ccc(C(C)C)cc3)s2)CC1 96993914 WTCTUWJGQBEJKK-UHFFFAOYSA-N 359.539 3.698 0 40 FHAB O=C(OCc1csc(Br)c1)c1ccc(N2CCCC2)nc1 95989752 MGDUALRYCGUFEF-UHFFFAOYSA-N 367.268 3.863 0 40 FHAB O=C(CCn1ccc2ccccc21)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 75107489 CQKJITGFELZOGO-VXKWHMMOSA-N 373.500 3.622 0 40 FHAB CCO[C@H](CCNC(=O)c1cccc(N2CCCC2=O)c1)C1CCCC1 76094228 GPYBYSQJHFOPGD-LJQANCHMSA-N 358.482 3.529 0 40 FHAB Cc1cccc(Nn2c(N)nn(CC(=O)c3cc(C)cc(C)c3)c2=S)c1 36625689 AMBYZPDRNMRNST-UHFFFAOYSA-N 367.478 3.680 0 40 FHAB Cc1nn(C)c(Cl)c1C(=O)OCc1nc(-c2cccs2)oc1C 22379587 XXMPGDJCYZGZEF-UHFFFAOYSA-N 351.815 3.764 0 40 FHAB Cc1cccc(N2C[C@H](C(=O)NCc3ccc(C(C)C)cc3)CC2=O)c1 408709306 ZFKPMISZABHQGE-LJQANCHMSA-N 350.462 3.788 0 40 FHAB CC[C@H](Oc1ccccc1)C(=O)NCc1cccc(CN2CCCC2)c1 32462563 HUUNDNKTPFWJAC-NRFANRHFSA-N 352.478 3.756 0 40 FHAB Cc1ccc(OCC(=O)Nc2cccc(Cl)c2C)c(-n2cnnc2)c1 32646684 UDQQOVLPKUXGJA-UHFFFAOYSA-N 356.813 3.555 0 40 FHAB C[C@H](NC(=O)N[C@H](C(N)=O)C(C)(C)C)c1ccc(-c2ccc(F)cc2)cc1 540410828 DRZZNNMIQVRCPT-SCLBCKFNSA-N 371.456 3.753 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)c1 73955757 ZKQBAAFOEBIVRI-GOSISDBHSA-N 353.462 3.627 0 40 FHAB CC[C@@H](NC(=O)Cc1ccc(C)c(C)c1)c1ccc(S(C)(=O)=O)cc1 218811246 GFZFAORTOJIPGL-LJQANCHMSA-N 359.491 3.517 0 40 FHAB Nc1cc(-c2c[nH]nc2[C@H]2CCCN(CCCc3ccccc3)C2)ccn1 72357461 QMCXMSTYYGFBRX-IBGZPJMESA-N 361.493 3.866 0 40 FHAB CCN1CCN(c2ncc(-c3cc(C)no3)c(-c3ccc(C)s3)n2)CC1 72337388 YRHOHSUMEDFPJA-UHFFFAOYSA-N 369.494 3.619 0 40 FHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1nc(-c2cccs2)no1 219381760 FRNWIODDIJHVQJ-AWEZNQCLSA-N 371.462 3.889 0 40 FHAB CCc1cc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)ccc1OC 223248432 FIRVIKFZYPGDLO-AWEZNQCLSA-N 359.491 3.786 0 40 FHAB CC(=O)NC1CCC(NC(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)CC1 569730329 MWWVAWHQTQMIFK-UHFFFAOYSA-N 359.857 3.512 0 40 FHAB Cc1ccccc1OC[C@@H](C)NC(=O)Cc1cccc(Br)c1 225620994 PIXWWMDESPLXCP-CQSZACIVSA-N 362.267 3.884 0 40 FHAB Cc1ccc(OCc2ccc(C(=O)NCC(=O)Nc3ccccc3)o2)cc1 47080969 VPOJFVXKXNGLHQ-UHFFFAOYSA-N 364.401 3.536 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H](c2csc(Nc3ncccn3)n2)C1 44029578 IRMKHSNVYHVODM-GFCCVEGCSA-N 361.471 3.791 0 40 FHAB O=C(CCn1ccc2c(Cl)cccc21)NCc1ccc(C(=O)O)cc1 40267213 PFBGVUHOXWHRJJ-UHFFFAOYSA-N 356.809 3.699 0 40 FHAB CC[C@H](Oc1ccccc1OC)C(=O)NCCOc1ccccc1Cl 224612570 AYTMGNVZIGVYPR-HNNXBMFYSA-N 363.841 3.701 0 40 FHAB O=C(CN1CCC[C@@H]2CCCC[C@H]21)Nc1cc(Cl)ccc1-n1cncn1 229988904 OVSPXCMOPYZHSQ-WMLDXEAASA-N 373.888 3.514 0 40 FHAB CCOc1ccc([C@@H](N)c2n[nH]c(-c3ccccc3C)n2)cc1OCC 95534573 MEJKCEBKXUUSOI-GOSISDBHSA-N 352.438 3.626 0 40 FHAB COc1cccc(CC(C)(C)NC(=O)c2cncc(C(F)(F)F)c2)c1 585083699 PIRSJSCHYPCULI-UHFFFAOYSA-N 352.356 3.860 0 40 FHAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1ccc(F)c(F)c1F 95477561 DPJJCPHSOLHEAQ-CYBMUJFWSA-N 357.357 3.599 0 40 FHAB CCCCN1CCC[C@@](C[C@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)O)C1 248249781 RWEPBTHRJRNWLQ-XLIONFOSSA-N 362.445 3.676 0 40 FHAB CCc1ccccc1NC(=O)C1CCN(C(=O)c2cccc(OC)c2)CC1 242497461 BSYJGQFBWJIUKY-UHFFFAOYSA-N 366.461 3.749 0 40 FHAB Cc1noc(C)c1-c1cncc([C@H]2CCCN2Cc2ncccc2F)n1 257260842 LERDTMPWYZQQKK-GOSISDBHSA-N 353.401 3.620 0 40 FHAB Cc1ccc(C(=O)N2CCC[C@H](c3ccnc(Nc4ccccn4)c3)C2)cn1 257265078 LXFZIHSIKFQYHU-IBGZPJMESA-N 373.460 3.943 0 40 FHAB CCO[C@](C)(CC)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1 260812418 BFBBFILPLDMGKM-LAUBAEHRSA-N 362.514 3.941 0 40 FHAB O=C(NC[C@H](O)c1ccc2c(c1)CCO2)Nc1ccc(Cl)c(Cl)c1 90611427 KXVVFAREJKLAPV-HNNXBMFYSA-N 367.232 3.783 0 40 FHAB Cc1nc(-c2ncc(C)s2)cc([C@@H]2CCCN(C(=O)C(C)(C)C)C2)n1 585179619 LQTGIFVNZUUTHU-CQSZACIVSA-N 358.511 3.969 0 40 FHAB O=C(COc1cccc(Oc2ccccn2)c1)N1CCCc2ncccc21 73905430 VDGSVFIDQOTWEY-UHFFFAOYSA-N 361.401 3.627 0 40 FHAB CS(=O)(=O)[C@H]1CCCN(CC(c2ccccc2)c2ccccc2)CC1 513521667 UEUASHVUVYRDCD-FQEVSTJZSA-N 357.519 3.718 0 40 FHAB COc1cc(C2(C(=O)N[C@@H]3CCCc4nn(C)cc43)CCCC2)ccc1C 549090616 VCAGJVSYXOKCMI-GOSISDBHSA-N 367.493 3.743 0 40 FHAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2ncccc2O)N1c1cccc(F)c1 1615155056 HJBOXXKCMSXCMU-IRXDYDNUSA-N 369.440 3.588 0 40 FHAB CC[C@@H]1c2cccn2CCN1C(=O)c1cc2c(OC)ccc(OC)c2n1C 12148692 JHKHYAIPJFIYST-OAHLLOKOSA-N 367.449 3.604 0 40 FHAB COc1ccc(CNC(=O)[C@@H](OC(=O)c2ccco2)c2ccccc2)cc1 12471959 YEGIMTDZGGJWAQ-IBGZPJMESA-N 365.385 3.503 0 40 FHAB CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1ccccc1)S(C)(=O)=O 13711033 YGJVFMXGLPTYEB-LJQANCHMSA-N 374.506 3.993 0 40 FHAB CCOc1ccc(CCNC(=O)/C=C/c2ccc(OC)cc2)cc1OCC 14511070 PLIHPHHTJORASG-UKTHLTGXSA-N 369.461 3.865 0 40 FHAB COc1cc(N[C@@H](C)CCCN[C@H]2CN3CCC2CC3)c2ncccc2c1 19364689 XZCBNFPCVYRZNI-KKSFZXQISA-N 368.525 3.508 0 40 FHAB CCc1nccn1C[C@H](C)C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 19523530 SSWSSPYAVRPXER-DLBZAZTESA-N 373.472 3.538 0 40 FHAB CCn1c(SCC(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)nnc1-c1cccc(C)c1 19927617 UICWCDQOPRENCF-UXLLHSPISA-N 370.522 3.670 0 40 FHAB O=C(CSc1nnc(-c2ccc(Cl)s2)o1)NC1CCCCC1 2720369 NJBDSHSRXWGMAD-UHFFFAOYSA-N 357.888 3.993 0 40 FHAB Cc1cccc(C(=O)OCCOc2ccc(Br)cc2)c1O 3294793 QZAHDEMMYFJZCL-UHFFFAOYSA-N 351.196 3.699 0 40 FHAB Cc1cc(Br)ccc1NC(=O)CN(C)Cc1cccs1 3491633 CFDMQGUHDKUZAX-UHFFFAOYSA-N 353.285 3.890 0 40 FHAB Cc1c(Cl)ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)c1Cl 1430051 OQVRGBZPOMWTFT-UHFFFAOYSA-N 356.234 3.979 0 40 FHAB COc1ccc(CC(=O)N2CCN=C2SCc2ccc(F)cc2)cc1 4119967 ISCASOHDWHSIGH-UHFFFAOYSA-N 358.438 3.508 0 40 FHAB CCOc1ccccc1-n1ccnc(NCc2ccc(Cl)cc2)c1=O 10273215 WMHVSAJDIDOUQZ-UHFFFAOYSA-N 355.825 3.897 0 40 FHAB CCn1/c(=N/C(=O)c2cc3ccccc3oc2=O)sc2cccc(F)c21 100909324 WWIILXAXUIEVAU-VZCXRCSSSA-N 368.389 3.709 0 40 FHAB O=C(NC[C@@H](O)c1cccc(Cl)c1)Nc1ccc(OC(F)F)cc1 40099279 CSQUBEJAVWWBGX-CQSZACIVSA-N 356.756 3.797 0 40 FHAB CC(C)c1nnc(NC(=O)NCCCCOc2ccc(F)cc2)s1 40104043 UBKFBJZSEJXWFV-UHFFFAOYSA-N 352.435 3.781 0 40 FHAB CCN1CCc2c(sc3nc(SC)n(Cc4ccccc4)c(=O)c23)C1 20123605 YZRARLCJPKICGQ-UHFFFAOYSA-N 371.531 3.606 0 40 FHAB Cc1cccc(N2C(=O)/C(=C\Nc3ccc(O)cc3)c3ccccc3C2=O)n1 102415727 FUVJAMULRNAFAS-UYRXBGFRSA-N 371.396 3.736 0 40 FHAB O=C(COc1ccc(Br)cc1F)N[C@H]1CCc2ccccc21 32843538 KEHKYGKXJDCOGK-HNNXBMFYSA-N 364.214 3.771 0 40 FHAB O=C(c1ccccc1)N1C[C@@H](COc2ccccc2)O[C@@H](c2ccoc2)O1 710002 WFIDAVWEPLDZFJ-PZJWPPBQSA-N 365.385 3.830 0 40 FHAB O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)c1cc(Cl)c2c(c1)OCCO2 22763696 WBZDDXHIOJPAEY-JQWIXIFHSA-N 363.763 3.962 0 40 FHAB CCc1ccccc1NC(=O)CSc1nnc(COc2ccccc2)o1 852496 WGDLLDNLKXHNBE-UHFFFAOYSA-N 369.446 3.942 0 40 FHAB Cc1c(C(=O)OC[C@H]2CCCO2)[nH]c2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 1080577 BVSOOESBDJERGK-GOEBONIOSA-N 371.408 3.711 0 40 FHAB CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccncc1 1106306 XEJZICUGQHFZDB-UHFFFAOYSA-N 358.854 3.988 0 40 FHAB O=c1oc2c3c(ccc2c2c1CCC2)OCN(c1ccc(F)cc1F)C3 2244736 HLLLNBLWLJOGKL-UHFFFAOYSA-N 355.340 3.916 0 40 FHAB CCc1cccc2c(C(=O)CSc3nnc4nc(C)cc(C)n34)c[nH]c12 2620736 WNEUPQOPJMABKA-UHFFFAOYSA-N 365.462 3.760 0 40 FHAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCO3)c2C(N)=O)C1 2742520 IZFRUQUJFVCGJO-WCQYABFASA-N 364.511 3.506 0 40 FHAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)O 2765935 UEKYJAMFVJOBET-VXGBXAGGSA-N 367.467 3.878 0 40 FHAB Cc1nn(C[C@H](C)C(=O)Nc2cc(F)ccc2F)c(C)c1Br 2794229 JOWJXNZHZFAIAP-QMMMGPOBSA-N 372.213 3.815 0 40 FHAB Cc1ccc2c(CC(=O)OCC(=O)N[C@H](C)c3ccccc3)coc2c1 3288491 GEMXXSBWORNKHL-OAHLLOKOSA-N 351.402 3.704 0 40 FHAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)/C=C/c3ccccc3)c2C)no1 3391101 JWIPMPWKCPOJLI-MDZDMXLPSA-N 364.401 3.830 0 40 FHAB CCc1ccccc1NC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 3958729 IKLKNBSVNOLLER-LJQANCHMSA-N 364.445 3.898 0 40 FHAB CCOc1ccc(N2C(=O)c3[nH]nc(C)c3[C@@H]2c2ccc(OC)cc2)cc1 4686801 ATEPRVLYLGFYQE-FQEVSTJZSA-N 363.417 3.875 0 40 FHAB CCCCCNC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O 4689048 COUYBPHSMBRXNV-UHFFFAOYSA-N 374.506 3.573 0 40 FHAB COc1ccc(C2=Nn3c(nnc3-c3ccccc3C)SC2)cc1OC 5119457 SZSOQWWQFQARJA-UHFFFAOYSA-N 366.446 3.629 0 40 FHAB CCOc1ccc(C(=O)NC(=S)Nc2nc3ccccc3s2)cc1 5652637 JXTBHCQRJADNRD-UHFFFAOYSA-N 357.460 3.822 0 40 FHAB COc1ccc(/C=C/C(=O)O[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1 6054458 AQKJRJWMTCDZBL-LSALWYQZSA-N 365.429 3.618 0 40 FHAB COc1cccc(C2=N/C(=C\c3cc(Br)cs3)C(=O)O2)c1 6400490 OPKSYDKQWPQEHP-QPEQYQDCSA-N 364.220 3.864 0 40 FHAB C[C@@]12CC[C@@H]3c4ccc(OP(=O)(O)O)cc4CC[C@@H]3[C@@H]1CCC2=O 6491314 XYNRXDLLYXFCRS-MUQADHOPSA-N 350.351 3.583 0 40 FHAB in-vitro CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2ccc(C(=O)O)cc2)c1 6570318 RUGGITASGVZEED-GFCCVEGCSA-N 372.446 3.689 0 40 FHAB CC(C)Sc1ncc(Cl)c(C(=O)Nc2nnc(C(C)C)s2)n1 6748106 RXVNXMDNFWKPAC-UHFFFAOYSA-N 357.892 3.858 0 40 FHAB CCOc1cc2c(cc1/C=C/C(=O)NCc1ccccc1F)O[C@H](C)C2 7754878 VZCGJMXOXJTRNH-MYSGNRETSA-N 355.409 3.877 0 40 FHAB Cc1nc(CC(=O)NCc2ccccc2)sc1C(=O)Nc1ccccc1 8103153 RJXNCPQJXMGJOV-UHFFFAOYSA-N 365.458 3.563 0 40 FHAB CCNC(=O)c1cccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 8312940 OYDATBATRVZTJW-UHFFFAOYSA-N 374.444 3.752 0 40 FHAB O=C(CSc1ccccc1)Nc1cccc(C(=O)NCC(F)(F)F)c1 8707602 GTKDIZKVAWQEDV-UHFFFAOYSA-N 368.380 3.710 0 40 FHAB C[C@@H](Sc1ccc2ccccc2n1)C(=O)Nc1sccc1C(N)=O 8721141 MQUVOHURZSHYSU-SNVBAGLBSA-N 357.460 3.515 0 40 FHAB CC(C)c1ccccc1NC(=S)NC(=O)c1ccc2c(c1)OCCO2 9064012 LMIKZRYSKJGFOL-UHFFFAOYSA-N 356.447 3.708 0 40 FHAB C[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 10111975 HXOFLNKCDSSVHW-AWEZNQCLSA-N 374.506 3.847 0 40 FHAB COc1ccc(/C=C/C(=O)N2c3ccccc3C[C@H]2C)c(OC)c1OC 10449670 RMONGOFDLCURAM-IEZBTEQYSA-N 353.418 3.703 0 40 FHAB CC(C)(C)c1ccc(NC(=O)NCc2nnnn2C2CCCCC2)cc1 10608621 NKLOCRZAAFGRHH-UHFFFAOYSA-N 356.474 3.798 0 40 FHAB CC[C@H](C)Nc1nnc(S[C@@H](C(=O)NC2CC2)c2ccccc2)s1 10769129 KNWLQSJBVVWZMP-SMDDNHRTSA-N 362.524 3.861 0 40 FHAB CC(C)N(C(=O)CSc1nc(Cc2cccs2)n[nH]1)c1ccccc1 11599909 WLMHMZBKHLAVOG-UHFFFAOYSA-N 372.519 3.991 0 40 FHAB COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(OC)cc1NC(=O)c1ccccc1 11651822 QCDNDIVORCSDKH-GXTWGEPZSA-N 354.406 3.551 0 40 FHAB O=C(Cn1c(-c2cccs2)cc2cccnc21)NCCc1ccncc1 12118267 WFRJZIOISXUPHJ-UHFFFAOYSA-N 362.458 3.519 0 40 FHAB Cc1ccc2nc(C(=O)NCc3nc(-c4ccccc4Cl)no3)[nH]c2c1 12147346 OIZOQFHGRKNGKZ-UHFFFAOYSA-N 367.796 3.505 0 40 FHAB COc1ccc(CN(Cc2[nH]c3ccccc3c2C)C[C@H](C)O)cc1OC 12185545 OWPZRJNRXHONRH-HNNXBMFYSA-N 368.477 3.877 0 40 FHAB O=C(CCC(=O)N1CCC[C@@H](c2cc3ccccc3cn2)C1)c1cccnc1 12188266 AYWHOPGEPBYNSS-HXUWFJFHSA-N 373.456 3.999 0 40 FHAB CC(=O)c1cc(C(=O)N[C@@H]2CC3(CCOCC3)Oc3ccccc32)cs1 12219616 PKZTXPSVQZYZAT-MRXNPFEDSA-N 371.458 3.754 0 40 FHAB C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)n1c(=O)oc2ccccc21 12555334 JCGPNRJUDYRUDE-OAHLLOKOSA-N 365.433 3.785 0 40 FHAB CC[C@@H](CNC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccccc1 12613843 ONULFPKSGOIEBW-KSSFIOAISA-N 354.475 3.800 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 12818312 GRVKJNXXJBGLHC-XIKOKIGWSA-N 372.852 3.811 0 40 FHAB COc1ccc(NC(=O)c2ccccc2OC[C@H]2CCCO2)c(OC)c1 12926095 OAGAXANZOMPGPJ-OAHLLOKOSA-N 357.406 3.514 0 40 FHAB CS(=O)(=O)Cc1cccc(C(=O)Nc2ccc(Cl)cc2Cl)c1 12976914 RZVICXKZGBEWGL-UHFFFAOYSA-N 358.246 3.790 0 40 FHAB NC(=O)[C@@H](OC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 13005512 NJJFUAPFNLSVFC-NRFANRHFSA-N 359.425 3.855 0 40 FHAB CCNC(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1OC 14093098 SRTKJNMQYAMEOV-BUHFOSPRSA-N 361.445 3.756 0 40 FHAB CCc1ccccc1NC(=O)CN(C)C(=O)c1cc(C)n(C2CC2)c1C 14142091 LQAXKOXZZBBKAR-UHFFFAOYSA-N 353.466 3.713 0 40 FHAB CC[S@@](=O)c1ccccc1C(=O)O[C@@H](C)C(=O)c1c[nH]c2ccccc12 14199130 BJZCIBVWSJZSRP-NRRJATNASA-N 369.442 3.724 0 40 FHAB COc1cc(NC(=O)c2ccc(Br)cc2F)cc(OC)c1 14199974 YUJVRYJZEWUWFJ-UHFFFAOYSA-N 354.175 3.858 0 40 FHAB CCOCCCNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 14328825 JKVMVDLSMSWDLV-UHFFFAOYSA-N 351.406 3.560 0 40 FHAB CCOc1c(Br)cc(C(=O)Nc2cccnc2)cc1OC 15436401 FHJKTRHRROFXQV-UHFFFAOYSA-N 351.200 3.504 0 40 FHAB CCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1 16639745 MUSMFDASFGKHGV-UHFFFAOYSA-N 365.433 3.696 0 40 FHAB O=C(NCc1ccccc1)[C@]1(Cc2ccccc2-c2cccnc2)CCNC1 19372653 AQMODGPHQMSAJV-DEOSSOPVSA-N 371.484 3.587 0 40 FHAB CCN1CCC[C@H]1CN(Cc1ccccn1)Cc1c(C)nc2sccn12 19527148 OVJLTTMCMMEUDM-SFHVURJKSA-N 369.538 3.586 0 40 FHAB CN(C)C1CCC2(CC1)CN(C(=O)C1CCCC1)Cc1ccccc1O2 19583973 GYPPZVWQUYJROI-UHFFFAOYSA-N 356.510 3.841 0 40 FHAB CC(C)(CNC(=O)c1cccc(CN2CCCC2=O)c1)c1ccc(F)cc1 19717158 NLZBFVLQNULPAI-UHFFFAOYSA-N 368.452 3.656 0 40 FHAB Cc1cccn2cc(C(=O)Nc3ccc4c(c3)nc(C(F)(F)F)n4C)nc12 19718789 LBYAYKGEQXBTBV-UHFFFAOYSA-N 373.338 3.801 0 40 FHAB O=C(COc1ccccc1)Nc1nc([C@H]2COc3ccccc3O2)cs1 20447609 GQSBNYLAEGKOIM-QGZVFWFLSA-N 368.414 3.673 0 40 FHAB CCN(Cc1ccc(Cl)s1)C(=O)CCNC(=O)c1ccccc1 25055188 MOMFWKZKIVIUJN-UHFFFAOYSA-N 350.871 3.570 0 40 FHAB O=C(CCc1nc(-c2ccccc2)no1)Nc1cccc(Cn2ccnc2)c1 25173328 ZQDAJTQIZDGTBI-UHFFFAOYSA-N 373.416 3.553 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccnc(Cl)c1 25386253 AKJAITADWTYEBE-UHFFFAOYSA-N 354.841 3.810 0 40 FHAB O=C(NCc1ccccc1)c1ccc(Cn2cc(Br)cn2)cc1 27970018 VUIWSRQAIJOIAO-UHFFFAOYSA-N 370.250 3.624 0 40 FHAB CCOc1ccc(-c2nsc(NC(=O)c3cccs3)n2)cc1OC 28286724 BSRPRYYCBHZOHU-UHFFFAOYSA-N 361.448 3.926 0 40 FHAB CN(Cc1cccs1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 31522117 PFKFYNOFLMYXRW-UHFFFAOYSA-N 357.479 3.651 0 40 FHAB CC(=O)NCc1ccc(C(=O)CSc2ccc(C(F)(F)F)cn2)s1 31743342 TVRQKMKJGNUYJJ-UHFFFAOYSA-N 374.409 3.773 0 40 FHAB CC(C)c1cc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc2n1 31811770 KXDCOPAHBVUZEB-UHFFFAOYSA-N 360.461 3.716 0 40 FHAB Clc1nc(Nc2ccc3c(c2)OCO3)c2cnn(-c3ccccc3)c2n1 32500097 VWCYXDDTUSKGLM-UHFFFAOYSA-N 365.780 3.941 0 40 FHAB CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2)nnc1-c1cccnc1 32579420 XZPQECJCIFIGIW-LBPRGKRZSA-N 371.441 3.618 0 40 FHAB COc1ccc(OCc2noc(CN[C@H](c3ccccc3)C3CC3)n2)cc1 32868834 NHGPKGKWDSOAQE-OAQYLSRUSA-N 365.433 3.898 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)NCc1cccc2ccccc12 33933079 DWVOMDZPOYNWFD-UHFFFAOYSA-N 361.850 3.980 0 40 FHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CC1CCCCC1 36037040 VPDPLPNVPWNQAH-UHFFFAOYSA-N 367.287 3.783 0 40 FHAB CCc1nc2sc([C@H](c3ccco3)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 36104877 WEYKRRMZTFAVNK-HUBLWGQQSA-N 360.483 3.719 0 40 FHAB COc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)ccc1O 36356902 WGVPIQVWVJZNLB-LBPRGKRZSA-N 353.353 3.849 0 40 FHAB COc1ccc(Nc2nc(Cn3cnc4sccc4c3=O)cs2)cc1 40068570 MDKXXEMDGNETLO-UHFFFAOYSA-N 370.459 3.715 0 40 FHAB C[C@@H](Sc1nncs1)C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 40138893 BPGQVVGNJBOTLX-NEPJUHHUSA-N 374.491 3.566 0 40 FHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC[C@H](C)C2)nc1 40160673 QMCYOSRTUNZYMW-INIZCTEOSA-N 359.495 3.533 0 40 FHAB COC(=O)N1CCC(CNC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 43982945 WDHOEPDRFQCJGU-UHFFFAOYSA-N 360.241 3.593 0 40 FHAB COc1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc(Cl)c1OCC(C)C 48354045 OOQQSFTVYOSDKL-CHWSQXEVSA-N 355.862 3.633 0 40 FHAB O=C(CNc1ccc(Br)cc1Cl)NCc1cccs1 48398501 RTZPPWSUFCONHK-UHFFFAOYSA-N 359.676 3.892 0 40 FHAB Cc1nn(Cc2ccccc2Cl)c(C)c1CNC[C@@H](C1CC1)N(C)C 48776210 SYIXJSRUKDFJEV-FQEVSTJZSA-N 360.933 3.631 0 40 FHAB Cc1nc(-c2cccc(F)c2)sc1C(=O)N[C@@H](C(=O)O)c1ccccc1 49546734 XTROYUZWTMEUFL-OAHLLOKOSA-N 370.405 3.813 0 40 FHAB COc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc1[N+](=O)[O-] 50547864 XLBDGELHPPDYFN-DHDCSXOGSA-N 371.374 3.698 0 40 FHAB CC1(C)CC(=O)c2sc(NC(=O)CCC(=O)c3ccccc3)nc2C1 52776912 HIEYCVPEIUTKGE-UHFFFAOYSA-N 356.447 3.900 0 40 FHAB O=C(NCc1nnc2ccccn12)Nc1ccc(Oc2ccccc2)cc1 53976310 GKIHSRWIBRJBMK-UHFFFAOYSA-N 359.389 3.843 0 40 FHAB Cc1sc2nc(CC(=O)NC3CCCC3)[nH]c(=O)c2c1-c1ccccc1 55501990 YGUZYFBBPVQCQG-UHFFFAOYSA-N 367.474 3.561 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)C1(c2ccc(Cl)cc2)CCOCC1 57178780 YVQGWSFVCDKIDG-UHFFFAOYSA-N 359.809 3.756 0 40 FHAB CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(CC)cc2)c1C 58166126 SMVMTRJJMPPLEV-UHFFFAOYSA-N 360.479 3.961 0 40 FHAB CC(C)c1cc(C(=O)Nc2nnc(C3CC3)s2)n(-c2ccccc2)n1 61717872 YGACHJCPUUQJNR-UHFFFAOYSA-N 353.451 3.977 0 40 FHAB COc1ccccc1Oc1ncccc1CNCc1ccc2nonc2c1 64006512 JBZCNJGVXQXFFC-UHFFFAOYSA-N 362.389 3.709 0 40 FHAB O=c1n(Cc2ccccc2)c2ccccc2c2nc(-c3ccccc3)nn12 64977835 ZSQXMEMRJGASJQ-UHFFFAOYSA-N 352.397 3.760 0 40 FHAB CCC(=O)Nc1c(-c2ccccn2)nsc1C(=O)NC1CCCCC1 65149977 NSNFOWUGJLHGSR-UHFFFAOYSA-N 358.467 3.616 0 40 FHAB CCCN(C(=O)c1nc(C)n(-c2ccccc2)n1)[C@H]1CCc2ccccc2C1 68091757 BYGJOUOHCJHZAW-NRFANRHFSA-N 374.488 3.985 0 40 FHAB CCc1nc(C(=O)N(C)[C@@H](C)c2ccccn2)nn1-c1ccccc1Cl 71847895 GKPQMKKVVMMCQQ-ZDUSSCGKSA-N 369.856 3.711 0 40 FHAB CC(C)c1cccc(O[C@@H](C)C(=O)NC[C@H](CO)Cc2ccccc2)c1 78821250 HHJHLMNXXQDLBY-PKOBYXMFSA-N 355.478 3.545 0 40 FHAB OC[C@@H]1CCCN1Cc1csc(-c2ccc(Br)cc2)n1 84421654 BSFAORAGANPUNC-AWEZNQCLSA-N 353.285 3.529 0 40 FHAB CC(C)c1cc(C(=O)Nc2cccc(N3CCOCC3)c2)nn1C(C)(C)C 84622466 GEORHVOKVNPSOG-UHFFFAOYSA-N 370.497 3.850 0 40 FHAB CC(C)c1ccc(N2Cc3ccc(NC(=O)Cn4ccnn4)cc3C2)cc1 89219937 OHTHQVCRJFHBEN-UHFFFAOYSA-N 361.449 3.560 0 40 FHAB Cc1ccc(C)c(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1 89611949 ZBLVRJZOILGLTD-UHFFFAOYSA-N 372.490 3.730 0 40 FHAB O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)NCC1CCOCC1 95475351 HNBBZECMMDGLJM-SFHVURJKSA-N 360.885 3.858 0 40 FHAB CCCOCCOC(=O)c1cc(C)nc2cc(Br)ccc12 95952912 DCYCRCDWOJSIOO-UHFFFAOYSA-N 352.228 3.889 0 40 FHAB COc1cccc(OC)c1C(=O)Nc1cccc(-n2nc(C)cc2C)c1 95954956 FFQNSSNWRJEAAQ-UHFFFAOYSA-N 351.406 3.759 0 40 FHAB O=C(Cc1ccon1)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1 96001365 GTBRDGZWAKVUSS-INIZCTEOSA-N 370.384 3.550 0 40 FHAB CNC(=O)C[C@H]1CC2(CCN(Cc3cccs3)CC2)c2ccccc21 96052564 VCDZIDAUHMHVOO-INIZCTEOSA-N 354.519 3.905 0 40 FHAB Fc1ccccc1CN1CCC2(CC1)C[C@H](OCc1ccncc1)CO2 96106850 YNHHZALEBQMHEZ-IBGZPJMESA-N 356.441 3.561 0 40 FHAB C[C@H](c1ccccc1)N(C)C(=O)c1ccc(/C=C2/SC(=O)NC2=O)cc1 96925001 SWWCCDRVQQYBLF-LVLBFHFTSA-N 366.442 3.844 0 40 FHAB CC1CCC(NC(=O)[C@H]2[C@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@@H]32)CC1 100123909 WMFQZJOXVFTIGJ-QFHQEVAWSA-N 353.462 3.742 0 40 FHAB CCc1nn2c(O)cc(CCc3c(C)n[nH]c3C)nc2c1-c1ccccc1 100775875 QUBLYQDWCNTMLE-UHFFFAOYSA-N 361.449 3.789 0 40 FHAB O=C1C[C@H](Nc2cccc(F)c2)C(=O)N1c1cccc(Cl)c1Cl 101277073 OKGUJVYJXCJPGR-LBPRGKRZSA-N 353.180 3.877 0 40 FHAB CN(Cc1ccccc1C(F)(F)F)C(=O)C[C@H]1C(=O)Nc2ccccc21 102378297 YZWFZVFMSVOKAN-CQSZACIVSA-N 362.351 3.790 0 40 FHAB Cc1ccc(-c2noc([C@H]3CC(=O)N(CCc4ccccc4)C3)n2)cc1F 109505150 UCYGBEYFBFRYMF-KRWDZBQOSA-N 365.408 3.743 0 40 FHAB C[C@@H]1SC[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 111219328 WFCIGOQMPVAAGQ-SGTLLEGYSA-N 369.442 3.784 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)NCC(C)C 137302582 BKLAJBVBVAQQAK-UHFFFAOYSA-N 360.841 3.987 0 40 FHAB O=C1OC2(CCN(C(=O)NCc3ccc(Cl)cc3)CC2)c2ccccc21 207984758 HKTFLEPEEYDOQL-UHFFFAOYSA-N 370.836 3.711 0 40 FHAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 216324891 IQZFMELLLJIXEM-OAGGEKHMSA-N 352.906 3.592 0 40 FHAB CCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 224192255 GCRWRPIQASYQRI-HXUWFJFHSA-N 366.505 3.951 0 40 FHAB COc1cccc(C(=O)Nc2cnc(Oc3ccccc3F)nc2)c1OC 224282316 FHIRXNGHQBHEOC-UHFFFAOYSA-N 369.352 3.678 0 40 FHAB CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1ccccc1C 224371022 YBJFIZHDSCSCGA-IBGZPJMESA-N 369.461 3.882 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCCC2)cc1 224938254 VEUUJDVWFRKXMA-UHFFFAOYSA-N 366.870 3.750 0 40 FHAB Cc1ccccc1CN(C(=O)CCc1ccccc1)[C@@H](C)C(=O)NC(C)C 225478750 YYRVZHBDFKXWOW-IBGZPJMESA-N 366.505 3.870 0 40 FHAB COc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(F)cc1F 225786579 XQKJUFHGEGRVON-LLVKDONJSA-N 352.406 3.727 0 40 FHAB O[C@@H]1CCN(Cc2c([C@@H]3CCCO3)[nH]c3ncccc23)[C@@H]2CCCC[C@H]12 248006910 UHNBMDICIJZVPS-AITUJVMLSA-N 355.482 3.540 0 40 FHAB O=C(c1cncs1)N1CCC[C@@H](c2ncc(Cc3ccccc3F)o2)C1 257205921 BBBKWLALEMNBBG-CQSZACIVSA-N 371.437 3.881 0 40 FHAB Cc1onc(C(C)C)c1C(=O)N1CCCC[C@@H]1c1ccn2nccc2n1 257213158 CGJVOFUFGLKWAK-OAHLLOKOSA-N 353.426 3.517 0 40 FHAB COc1ccc(/C=C/C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 408627214 LHYIGYHMAZVJBB-QPJJXVBHSA-N 370.518 3.668 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 408709119 XUSXVRJFSITMIC-IOASZLSFSA-N 368.399 3.753 0 40 FHAB CCSc1nc2ccc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)cc2s1 408748502 AZQRWURIPUJMIL-NBLIUIFLSA-N 374.487 3.870 0 40 FHAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccccc2O)S1 408814344 PANRERNUOPSZCH-UHFFFAOYSA-N 361.830 3.817 0 40 FHAB O=C1CCc2cc(C(=O)N3C[C@H](c4ccccc4)[C@@H]4CCC[C@H]43)ccc2N1 552959210 UTGVSTMQPVXEQF-QKNQBKEWSA-N 360.457 3.980 0 40 FHAB CC(C)(CNC(=O)c1coc(C2CCOCC2)n1)c1ccc(Cl)cc1 558687844 ZTSULJKGLGGOOA-UHFFFAOYSA-N 362.857 3.930 0 40 FHAB COc1ccccc1-c1noc(C2CCN(c3cc(C)nc(C)n3)CC2)n1 584209758 OLMLSELWFQLUAB-UHFFFAOYSA-N 365.437 3.536 0 40 FHAB CC(C)(C)OC(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2F)cn1 593134424 NHHDZCWUPULLSJ-UHFFFAOYSA-N 364.804 3.759 0 40 FHAB O=C(N[C@H]1CCCCC12CCCC2)c1nc(N2CCCC2)ncc1Cl 643312432 CTOVDIPGUHTNSH-HNNXBMFYSA-N 362.905 3.963 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1Cl)c1nc(Cc2cncn2C)no1 664825241 SBTBBKJURSYAIQ-VIFPVBQESA-N 353.209 3.841 0 40 FHAB Cc1ccsc1CN1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 1615119514 HDJZBICMRBWPLG-OAQYLSRUSA-N 370.518 3.845 0 40 FHAB COc1cc(C(C)=O)ccc1Oc1cc(-n2nc(C)cc2C)nc(C)n1 12391441 RKNNALLCEBPNTQ-UHFFFAOYSA-N 352.394 3.591 0 40 FHAB Cc1n[nH]c2ncc(C(=O)N(Cc3c(F)cccc3Cl)C3CC3)cc12 47404233 JGDBWZJVVROWMD-UHFFFAOYSA-N 358.804 3.864 0 40 FHAB CNC(=O)Cc1ccc(N[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1 78352122 XNHNXSBOMPLKLG-ZDUSSCGKSA-N 368.412 3.646 0 40 FHAB COc1ccc(-c2nnc3n2C(=O)C[C@H](c2ccc(F)cc2)S3)cc1 957038 GGILFOGMBVKTAY-OAHLLOKOSA-N 355.394 3.970 0 40 FHAB C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1C(=O)c2ccccc2C1=O 951400 ZITSOQFIINUWCJ-VIFPVBQESA-N 363.200 3.617 0 40 FHAB CCCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccco1 1364362 UWXKHFIWOATESC-UHFFFAOYSA-N 372.450 3.688 0 40 FHAB O=C(N[C@H]1CC(c2ccccc2)(c2ccccc2)OC1=O)c1ccccc1 2024345 BXJJJXASSLWUSX-FQEVSTJZSA-N 357.409 3.676 0 40 FHAB NC(=O)c1c(NC(=O)c2cc(-c3cccs3)on2)sc2c1CCCC2 2497921 XZOMDSYAQFGCCP-UHFFFAOYSA-N 373.459 3.695 0 40 FHAB CCC[C@@H](C)NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1 3446764 KRAKNPPYPYNOPL-CQSZACIVSA-N 351.874 4.000 0 40 FHAB CC(=O)N1N=C(c2c(C)nc3cc(C)ccn23)O[C@@H]1c1ccc(Cl)cc1 1016632 ZRHPFNPAXRRTQY-LJQANCHMSA-N 368.824 3.844 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2ccc3c(c2)CCCC3)c1C 4548214 VBUPUALJJMTOQD-UHFFFAOYSA-N 353.418 3.753 0 40 FHAB Cc1nc(-c2ncccn2)sc1C(=O)N1CCC[C@@H]1c1cccs1 55008369 UIMPPAROUMUYOV-GFCCVEGCSA-N 356.476 3.947 0 40 FHAB C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)C1)n1c(S)nnc1-c1cccs1 106531078 IJWYQZNVXIHWGR-WOPDTQHZSA-N 350.513 3.551 0 40 FHAB Cc1cc(C)cc(OCCN(C)[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c1 57273623 VDZPNYCZYUEWKC-INIZCTEOSA-N 351.450 3.612 0 40 FHAB Cc1ccc(CSCCNC(=S)Nc2ccc3c(c2)OCCO3)cc1 53579725 FRPSVLOWRKDRRD-UHFFFAOYSA-N 374.531 3.986 0 40 FHAB Cc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2cc(C)on2)c(C)c1 12506944 CXKQPRUDKFBSGB-CQSZACIVSA-N 356.451 3.905 0 40 FHAB O=C(CCC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccccc1 27242845 QRUKVPHBUBGEGB-GOSISDBHSA-N 364.445 3.527 0 40 FHAB O=C(NCC1CCCCC1)c1cccc(NS(=O)(=O)c2ccccc2)c1 22406574 ZEORZKLNUJHUEI-UHFFFAOYSA-N 372.490 3.798 0 40 FHAB NC(=O)C1CCN(c2ccc(NC(=O)CCC3CCCCC3)cc2)CC1 58289912 ZIEHIHJPNMKLID-UHFFFAOYSA-N 357.498 3.687 0 40 FHAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc3oc(-c4ccc(F)cc4)nc3c2)C1 57326998 NHVRHYJPEAOCCJ-CYBMUJFWSA-N 368.364 3.550 0 40 FHAB O=S(=O)(NCc1ccc(Cl)s1)c1cccc(C(F)(F)F)c1 28317679 FRRMFDLCAULQQI-UHFFFAOYSA-N 355.790 3.899 0 40 FHAB O=C(NCc1coc(-c2cccs2)n1)N1CCC[C@H]1c1ccncc1 45345376 QJWZVWMMEMNQFE-HNNXBMFYSA-N 354.435 3.845 0 40 FHAB Nn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccccn1 2372546 DVQODWGOVNVAJN-UHFFFAOYSA-N 352.250 3.653 0 40 FHAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]21 100737157 QFKKOOAREIAMNX-DARAHFNDSA-N 358.235 3.707 0 40 FHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2c(C)cccc2C)c1 26529915 MDTQUBPGHPJVFN-UHFFFAOYSA-N 353.827 3.544 0 40 FHAB COCCn1c(SCC(=O)Nc2ccc(F)cc2)nc2ccccc21 2619324 IRGQEFWWUOAQOD-UHFFFAOYSA-N 359.426 3.553 0 40 FHAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 23140224 ATHMBSHGQXUWML-CQSZACIVSA-N 371.437 3.886 0 40 FHAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C)C(=O)c2ccc(C)cc2)c1C 3483741 TYEKQXYDFWJVSY-AWEZNQCLSA-N 357.406 3.545 0 40 FHAB O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN1C(=O)c1cccs1 3455817 QFOOXKIUJWLREY-SJORKVTESA-N 354.475 3.547 0 40 FHAB O=C(c1ccc(Cl)cc1)c1ccc(OCC(=O)N2CCCCC2)cc1 3406720 KJECDWXETQDEHF-UHFFFAOYSA-N 357.837 3.962 0 40 FHAB COc1ccc(CNC(=O)CSc2nc(C)c(-c3ccccc3)[nH]2)cc1 9191556 QEVMANRNTFJBTQ-UHFFFAOYSA-N 367.474 3.802 0 40 FHAB Cc1ccccc1COC(=O)C1CCN(C(=O)c2ccccc2C)CC1 12925798 RBVREYBSGRMBJM-UHFFFAOYSA-N 351.446 3.899 0 40 FHAB COc1ccc([C@@H]2CCCN2CC(=O)NCc2cccc(Cl)c2)cc1 12992611 YAOWRCRIKAQSFK-IBGZPJMESA-N 358.869 3.802 0 40 FHAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc2cc(F)ccc2[nH]1 13007244 WJSQCXGIPUJUBB-FQEVSTJZSA-N 351.425 3.874 0 40 FHAB Cc1nn(C(C)C)c(C)c1NC(=O)c1cc(-c2ccc3c(c2)CCO3)n[nH]1 96117937 IAUUCVDMZGUXLF-UHFFFAOYSA-N 365.437 3.658 0 40 FHAB O=C(CSc1nnc(-c2cccc(Cl)c2)o1)c1ccc(O)cc1O 9364580 UPGSPAKPYKATHY-UHFFFAOYSA-N 362.794 3.776 0 40 FHAB O=C(CCc1nnc(-c2ccccc2)o1)NC12CC3CC(CC(C3)C1)C2 13985528 XRMKNQUYJXJBFV-UHFFFAOYSA-N 351.450 3.754 0 40 FHAB CCc1ccccc1Nc1nnc(S[C@@H](C)C(=O)N2CCCC2)s1 14094887 DGDQUQLAZITETR-LBPRGKRZSA-N 362.524 3.947 0 40 FHAB CC(C)C(=O)Nc1ccc(NC(=O)NC[C@]2(N(C)C)CCC[C@@H](C)C2)cc1 65513925 ZBUGEDCIGQBLSB-IERDGZPVSA-N 374.529 3.913 0 40 FHAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N2CCc3ccccc3C2)c1 14182087 CXKIFFUURQIOBG-UHFFFAOYSA-N 364.474 3.501 0 40 FHAB NC(=O)c1ccc(CSc2nnc(C3CC3)n2Cc2ccccc2)cc1 14201536 DRPVHCAPGYLCTK-UHFFFAOYSA-N 364.474 3.595 0 40 FHAB COc1ccc(N2C(=O)/C(=C\c3cccs3)NC2=S)cc1Cl 4801711 DCXQLKGEYLCUQG-XYOKQWHBSA-N 350.852 3.672 0 40 FHAB COC(=O)c1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2ccc(F)cc2F)C(=O)N1 4852883 IOKWDTUDCFPOIM-AUUYWEPGSA-N 374.343 3.521 0 40 FHAB COc1ccc(NC(=O)c2c(O)cc(Cl)cc2Cl)cc1NC(C)=O 72311848 YUYTURNMECFHMW-UHFFFAOYSA-N 369.204 3.918 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@H]2CCSc3ccc(F)cc32)cc1C 15360089 ZQAIFLBOIMMQKJ-INIZCTEOSA-N 351.468 3.958 0 40 FHAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCC2CCCCC2)cc1 7007496 RPYKLFITIAQSJA-UHFFFAOYSA-N 374.510 3.703 0 40 FHAB NC(=O)[C@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)C1 84351310 QHTHKRLVIUSHLR-JTQLQIEISA-N 369.273 3.669 0 40 FHAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@@H]1CCS(=O)(=O)C1 67982685 UXGBNPFIZMQEQS-JRQWYPPZSA-N 373.518 3.528 0 40 FHAB COc1c(Cl)cc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1Cl 19942919 SFVODPXNBGPMLV-AOOOYVTPSA-N 352.283 3.669 0 40 FHAB O=C(COc1ccc(-c2nnco2)cc1)N1CCC[C@H]1c1cccs1 8075078 UEKODIKYMCVGGA-HNNXBMFYSA-N 355.419 3.541 0 40 FHAB CCOc1ncccc1C(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C 8072600 JZJNANJSGXATDT-UHFFFAOYSA-N 364.449 3.555 0 40 FHAB O=C(CCC(=O)N1CC[C@@H]2CCCC[C@H]2C1)c1ccc2c(c1)OCCCO2 8394202 HHYOXVIHDLWLHL-WMZOPIPTSA-N 371.477 3.850 0 40 FHAB O[C@@H](CNc1ncc(C(F)(F)F)cc1Cl)COc1ccc(F)cc1 72027489 BABVHDUPXAEHLH-NSHDSACASA-N 364.726 3.745 0 40 FHAB O=C(OCc1ccc(-n2cccn2)cc1)c1cc(O)c2ccccc2c1O 95349033 KCFDDCNNRCWPCV-UHFFFAOYSA-N 360.369 3.794 0 40 FHAB COc1cc2c(cc1OC)[C@@H](c1cc(Br)ccc1F)NCC2 20507054 AWNWKFCKJKFYHO-KRWDZBQOSA-N 366.230 3.841 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CNCc1nnc(C(C)(C)C)s1 95965337 KULLVVUYVJBZGY-UHFFFAOYSA-N 355.511 3.928 0 40 FHAB CCCOc1cc(CNC(=O)Cc2ccccc2C(F)(F)F)ccn1 89960282 GNLZZEMTPGHETD-UHFFFAOYSA-N 352.356 3.748 0 40 FHAB COc1ccc(C(=O)N[C@H](C)c2cccc(Br)c2)cc1OC 20025294 YJCABIMWCIERTE-LLVKDONJSA-N 364.239 3.957 0 40 FHAB CSc1ncc(Br)c(C(=O)Nc2ccccc2Cl)n1 27741892 WOLLCSKMFAAVKN-UHFFFAOYSA-N 358.648 3.867 0 40 FHAB Cn1cc([C@@H]2C[C@H]2C(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)cn1 60247410 WBFYWETYWZVFAD-QWHCGFSZSA-N 352.265 3.882 0 40 FHAB CCc1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Br)cc1 35684134 LTNCFTPAJGRJFE-UHFFFAOYSA-N 371.238 3.845 0 40 FHAB CSc1nc(Cl)cc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)n1 72203252 LVLQWPXWJSQMHT-UHFFFAOYSA-N 372.922 3.688 0 40 FHAB O=C(NCCSC(F)(F)F)c1cccc(OCc2cscn2)c1 36396945 YAUXPJRYLOVXBQ-UHFFFAOYSA-N 362.398 3.705 0 40 FHAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@H](C)COc1ccccc1C 219564328 RVPXAGUBOLHVED-SJORKVTESA-N 357.450 3.745 0 40 FHAB C[C@H](c1cccs1)N(C)C(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 32463926 UYFFJSJVWYFUDW-OLZOCXBDSA-N 362.882 3.974 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)COc1ccc(OC)cc1 44904969 BSFZKQBWIHKVKI-IFXJQAMLSA-N 361.413 3.575 0 40 FHAB Cc1cccc(CSCC(=O)Nc2ccc3c(c2)sc(=O)n3C)c1 225066025 AXISOQDLTJROGP-UHFFFAOYSA-N 358.488 3.780 0 40 FHAB COc1ccccc1CNC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 225313606 LPTDBXCGDINITM-UHFFFAOYSA-N 369.490 3.617 0 40 FHAB C[C@@H](NC(=O)c1noc(-c2cccnc2)n1)c1cccc(C(F)(F)F)c1 85335801 CDBYVRMSAMZHIA-SNVBAGLBSA-N 362.311 3.641 0 40 FHAB O=C(NC[C@H](O)c1csc2ccccc12)c1ccc(C(F)(F)F)nc1 225695266 CLWPRUHSSOGZBX-ZDUSSCGKSA-N 366.364 3.779 0 40 FHAB CCOc1ccc(CNC(=S)Nc2cccc(N3CCCC3=O)c2)cc1 225432226 HGRBRTXUFZTLTD-UHFFFAOYSA-N 369.490 3.699 0 40 FHAB CC(C)c1sc(Br)nc1C(=O)N[C@H]1CCOC(C)(C)C1 85876802 GKFVHHOEGKTFMI-VIFPVBQESA-N 361.305 3.716 0 40 FHAB biogenic COc1cc(C)c(S(=O)(=O)N2CCc3ccccc3C2)cc1C(C)C 223953224 RDPXFZWMSXXZPR-UHFFFAOYSA-N 359.491 3.874 0 40 FHAB Cn1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(Cl)c2ccccc21 40143244 ZJZJNLWRFQDKRE-UHFFFAOYSA-N 371.843 3.933 0 40 FHAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC1CCCCC1 224817619 MKTMSXZWWGEXGO-CQSZACIVSA-N 350.890 3.916 0 40 FHAB CSc1ccc(CNC(=O)c2cn(-c3ccc(Cl)cc3)nn2)cc1 44166337 GUQCCXBXDIRCCC-UHFFFAOYSA-N 358.854 3.573 0 40 FHAB CCOC[C@H]1CCC2(CCN(C(=O)c3ccccc3)CC2)N1CC1CC1 96207498 JDYNFKAPEIPBCC-HXUWFJFHSA-N 356.510 3.572 0 40 FHAB Fc1cccnc1O[C@H]1CCOC2(C1)CN(Cc1cccc3[nH]ccc13)C2 247512761 IUKJTIBADQFKKL-INIZCTEOSA-N 367.424 3.514 0 40 FHAB CC(C)N1CC[C@@H](CCc2ccc(NC(=O)c3cc[nH]n3)cc2)[C@H](C)C1 248037820 ZPDOVFWOQIPZDK-SJLPKXTDSA-N 354.498 3.961 0 40 FHAB CC(C)c1cc(C(=O)N2CCC[C@@H]2c2nccc(CN(C)C)n2)cs1 257258019 KSBFDIMPSHXPOK-MRXNPFEDSA-N 358.511 3.700 0 40 FHAB CC1(C)Oc2ccccc2[C@H]2OCC3(C[C@@H]21)CN(Cc1ccncc1)C3 257234602 GUHYLIKIJACRMG-AZUAARDMSA-N 350.462 3.832 0 40 FHAB Clc1ccccc1CN1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 585105313 SVPNQUTWKPTNJR-QGZVFWFLSA-N 367.942 3.843 0 40 FHAB CC(C)CCN1C[C@H]2c3ccccc3[C@@H](NC(=O)CC3CCOCC3)[C@H]2C1 585109715 LDUPIZRQYWIMGX-QNWVGRARSA-N 370.537 3.736 0 40 FHAB O=C1N[C@](c2ccccc2)(C(F)(F)F)C(=O)N1Cc1ccc(Cl)cc1 60361676 LNYPTVNFTZHCCX-INIZCTEOSA-N 368.742 3.850 0 40 FHAB CCOc1cc(/C=C2/N=C(c3cccs3)OC2=O)ccc1OC(=O)CC 994419 ILPPYTRAZFFDLL-JLHYYAGUSA-N 371.414 3.807 0 40 FHAB C[C@H](NC(=O)c1cc2c([nH]c1=O)CCCCC2)c1ccc2c(c1)CCC2 12194918 BVVJEFZNNBAOGW-AWEZNQCLSA-N 350.462 3.624 0 40 FHAB Cc1cccc(C2(O)CCN(Cc3cc(Cl)c4c(c3)OCO4)CC2)c1 12328424 ZDYNNNMQJIRFCG-UHFFFAOYSA-N 359.853 3.861 0 40 FHAB Cc1cccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)c1 12887412 AZJAWKGGXOAQHI-MDZDMXLPSA-N 364.445 3.591 0 40 FHAB COc1ccc(NC(=O)COc2c(C(=O)O)ccc3ccccc23)cc1 13086010 HJTHPPXNXADCBQ-UHFFFAOYSA-N 351.358 3.564 0 40 FHAB CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccc(O)cc1 13126038 BEOOGPYKWWJPEN-UHFFFAOYSA-N 368.462 3.710 0 40 FHAB COc1ccc(C(=O)N2CCC[C@H](c3cc4cnccc4[nH]3)C2)cc1F 19559521 YCRWNKGWUJLPBO-AWEZNQCLSA-N 353.397 3.730 0 40 FHAB Cc1cc(C)n(CC(=O)N[C@@H](Cc2ccsc2)c2nc(C)c(C)s2)n1 19573436 SCGPPASWXYTPDN-INIZCTEOSA-N 374.535 3.735 0 40 FHAB O=C(CSc1nnc(-c2ccccc2Cl)o1)N[C@H]1C[C@H]2CC[C@@H]1C2 19928099 IKYCUVQDHMUTNY-WDMOLILDSA-N 363.870 3.787 0 40 FHAB COc1cc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)ccc1C 18111484 IAEYUJCAXWOUMI-UHFFFAOYSA-N 364.898 3.677 0 40 FHAB Cc1ccc(C)c(C(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)c1 3527653 LLGFMKVESSYORP-HXUWFJFHSA-N 370.836 3.607 0 40 FHAB COc1ccc2nc(S[C@H](C)C(=O)N3CCc4ccccc43)[nH]c2c1 4252487 OFOWFDLYSIGNJL-GFCCVEGCSA-N 353.447 3.641 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc(-c2ccccc2)n[nH]1 6649598 QCDYMMKXHWONCU-CYBMUJFWSA-N 350.447 3.542 0 40 FHAB COC(=O)c1ccc(COC(=O)CCc2nc3ccccc3s2)cc1 6626676 JBZAVXBMGDRSCV-UHFFFAOYSA-N 355.415 3.759 0 40 FHAB Cn1cc(-c2ccc(CCNC(=O)CSc3ccc(F)cc3)cc2)cn1 1889264773 NHYSHSKQIMQQEL-UHFFFAOYSA-N 369.465 3.677 0 40 FHAB O=C(OC1CCCC1)N1CCC([C@H]2CCCCN2C(=O)C2(F)CC2)CC1 2056226780 ZSIHWACHVGSOAD-QGZVFWFLSA-N 366.477 3.661 0 40 FHAB CCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)O[C@@H](C)C(C)(C)C 706458 YSPKMEHEJZOWNY-SUMWQHHRSA-N 360.454 3.691 0 40 FHAB COc1ccc(-c2nc(CCNC(=O)c3ccccc3F)cs2)cc1 4167093 LLPWDKAPRTYBRV-UHFFFAOYSA-N 356.422 3.930 0 40 FHAB O=C(NCC1(c2ccsc2)CCOCC1)c1ccc(Br)o1 952985853 AHTGMBBSIJGOSX-UHFFFAOYSA-N 370.268 3.582 0 40 FHAB O=c1c2ccccc2nc(SCc2ccccc2)n1C[C@@H]1CCCO1 905646 RUVMBMKQQWWUBV-INIZCTEOSA-N 352.459 3.868 0 40 FHAB COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NC5=NCCS5)(C4)C2)C3)cc1 100773182 QGYUILARGSKXFD-VKFLQFAXSA-N 370.518 3.752 0 40 FHAB CC(=O)N[C@@H]1C(=O)N(Cc2ccccc2OCCC(C)C)c2ccccc21 101134707 GVLPHPSZUOLDGY-NRFANRHFSA-N 366.461 3.836 0 40 FHAB COc1ccc2c(ccn2CC(=O)N[C@@H](C)Cc2c[nH]c3ccccc23)c1 20761355 LYTLKPPNQNKOGH-HNNXBMFYSA-N 361.445 3.879 0 40 FHAB biogenic Cc1ccc(-c2cc(C(=O)Nc3cccc(N4CCOC4=O)c3)[nH]n2)cc1 32370851 RTIAORNDZZBAAQ-UHFFFAOYSA-N 362.389 3.594 0 40 FHAB O=[S@](CCOc1cccc(Cl)c1)Cc1nc(-c2cccs2)no1 32801186 MNTABIVOKWDFOZ-QHCPKHFHSA-N 368.867 3.779 0 40 FHAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1 32994787 JHMYYXLBJDTERZ-GFCCVEGCSA-N 365.355 3.532 0 40 FHAB O=C(CCOc1cccc(Cl)c1)NCc1cnn(-c2ccccc2)c1 32925123 MWABHMFKMAJDAU-UHFFFAOYSA-N 355.825 3.611 0 40 FHAB O=C(C[C@]1(O)C(=O)Nc2ccc(Cl)cc21)c1cccc2ccccc12 783789 LYYWZJILJNAVRR-HXUWFJFHSA-N 351.789 3.906 0 40 FHAB C[C@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 104004817 PAMHQJDEOXYCIL-OTRWWLKZSA-N 360.523 3.541 0 40 FHAB CC1=C(C(=O)N(C(C)C)C(C)C)CC(C(=O)N(C(C)C)C(C)C)=C(C)N1 634386 IMATVYPGZFFBLR-UHFFFAOYSA-N 363.546 3.819 0 40 FHAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)c1 806723 CRWPLGLKZNHWEN-MRXNPFEDSA-N 352.434 3.774 0 40 FHAB O=C1CN(c2ccccc2)C(=O)N1Cc1ccc(F)c(Br)c1 54271930 JMLXPGLRWFPLEO-UHFFFAOYSA-N 363.186 3.557 0 40 FHAB CCn1c(SCC(=O)Nc2c(C)cccc2C)nc2ccccc2c1=O 887449 UQWAHNVGEZNQKA-UHFFFAOYSA-N 367.474 3.764 0 40 FHAB Clc1ccccc1OCCN1CCN(c2ncnc3sccc23)CC1 54372146 WOSHRWQAUPXPFQ-UHFFFAOYSA-N 374.897 3.546 0 40 FHAB Cc1nc(N2CCN(C(=O)C3CCCCC3)CC2)c2c(C)c(C)sc2n1 1377229 QEXZGMWTUOGKGV-UHFFFAOYSA-N 372.538 3.845 0 40 FHAB CC(=O)OC[C@]12CO[C@H](c3ccc4c(c3)OCO4)[C@H](C(C)=C[C@H]1C)[C@@H]2C 4026736 OTAZKNLOTKUEQR-IZRPIXQDSA-N 358.434 3.884 0 40 FHAB O=C(NC(c1ccccc1)c1ccccc1)C1CCN(c2ncccn2)CC1 4965905 SMMJIGYOCQGRJQ-UHFFFAOYSA-N 372.472 3.599 0 40 FHAB COc1ccc(OCC(=O)NCc2cc3cc(Cl)ccc3n2C)cc1 4973503 OARVVIGXCXLERP-UHFFFAOYSA-N 358.825 3.536 0 40 FHAB CC1CCC(NC(=O)c2nnc(Cc3c(F)cccc3Cl)o2)CC1 6822556 AZYPBTOHSXANDF-UHFFFAOYSA-N 351.809 3.761 0 40 FHAB Nn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cccnc1 1291474 SHHSZQPOIPNSLC-UHFFFAOYSA-N 352.250 3.653 0 40 FHAB CC(=O)c1ccc(OC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1 7401926 RDMIDKZJVZLEPA-UHFFFAOYSA-N 350.374 3.786 0 40 FHAB COC(=O)c1cc(NC(=O)CCc2c[nH]c3ccccc23)c(F)cc1F 24972463 UTJXJFFWTNELRG-UHFFFAOYSA-N 358.344 3.804 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2cnnc3ccccc23)c1 12592940 VYLBWQOWPSXYJQ-CYBMUJFWSA-N 351.431 3.952 0 40 FHAB COc1ccc(C)cc1CN1C[C@H]2CCC[C@H](C1)C2(O)c1ccccn1 100775429 DOQGQOKEQZDWNL-RTBURBONSA-N 352.478 3.518 0 40 FHAB COc1ccc(-n2ccnc2S[C@H](C)C(=O)NCc2ccccc2)cc1 10871622 JCKUEWRYOQSCMV-OAHLLOKOSA-N 367.474 3.678 0 40 FHAB O=C(COc1ccc(F)cc1Cl)N[C@H](Cc1ncc[nH]1)c1ccccc1 12539996 HUJDOMCTJHLYSC-MRXNPFEDSA-N 373.815 3.681 0 40 FHAB CCN(CC)c1ccc2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)oc2c1 1616710 PNOSSPSHRNZMJP-UHFFFAOYSA-N 371.458 3.780 0 40 FHAB Cc1ccc2nsnc2c1NC(=S)NC(=O)c1ccc(Cl)cc1 58840256 QVLDYLXASGCGDT-UHFFFAOYSA-N 362.867 3.780 0 40 FHAB Cc1cc2oc(C(=O)Nc3nnc(CC(C)C)s3)cc(=O)c2cc1C 9330893 QGCIZEZJLSTCCH-UHFFFAOYSA-N 357.435 3.712 0 40 FHAB CC/C(=C/c1sc2ccc(C)cc2[n+]1CCCS(=O)(=O)O)SC 1881871 BBLJOUQSLOHUGG-QBFSEMIESA-O 372.557 3.889 0 40 FHAB Cc1ccc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)o1 57896533 KNBQJAVBSCPYDW-UHFFFAOYSA-N 360.211 3.848 0 40 FHAB O=C(NCc1ccoc1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 48125183 QQUMRWLFBPWDDV-UHFFFAOYSA-N 353.353 3.993 0 40 FHAB COc1cccc(OCc2nn3c(CCc4ccccc4)nnc3s2)c1 10311917 LQYISXRRBUOZGP-UHFFFAOYSA-N 366.446 3.559 0 40 FHAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(C(N)=O)nc3)ccc21 58420117 HKJSGHNTODTCKY-UHFFFAOYSA-N 358.401 3.561 0 40 FHAB Cc1cccc(CSc2nc(=O)n(C[C@H]3CCCO3)c3c2CCC3)c1 28286954 WRJCOVHYMJGYSH-MRXNPFEDSA-N 356.491 3.512 0 40 FHAB O=C(c1ccco1)N1CCN(C(=O)c2sccc2-c2ccccc2)CC1 3378591 RQXAQNLLFXFZKO-UHFFFAOYSA-N 366.442 3.606 0 40 FHAB O=C(C[C@H]1CCCO1)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 45819476 IZNWICCRIKQNDB-IEBWSBKVSA-N 367.424 3.602 0 40 FHAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccc2c(c1)OCCCO2 29253761 UOKRADXLVFKBDB-UHFFFAOYSA-N 353.403 3.619 0 40 FHAB CCNC(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1Cc1ccco1 11647545 VMRSRUGYBVZSFZ-CQSZACIVSA-N 355.463 3.808 0 40 FHAB Cc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1O 12888420 WYWLODPQEYKFBI-OAHLLOKOSA-N 367.445 3.614 0 40 FHAB Cc1cccc(-c2nnc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)n2C)c1 3400640 GLDCCAGJMLEKEM-GJZGRUSLSA-N 358.511 3.672 0 40 FHAB O=C(COC(=O)c1ccc(O)cc1O)Nc1ccccc1-c1ccccc1 3529465 KCOYGSQIVISAFL-UHFFFAOYSA-N 363.369 3.560 0 40 FHAB Cc1ccc([C@@]2(C)NC(=O)N(CCCOc3cc(C)cc(C)c3)C2=O)cc1 12982702 WVEPGLBDVMNCPO-JOCHJYFZSA-N 366.461 3.848 0 40 FHAB CCOc1cc2c(cc1NC(=O)Cc1noc3ccccc13)O[C@@H](C)C2 12939596 HNQDAHNGMGLHMS-LBPRGKRZSA-N 352.390 3.731 0 40 FHAB COc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2cc(C)cc(C)c2)cc1 13000618 GMVYIZXECKVUBT-UHFFFAOYSA-N 368.462 3.872 0 40 FHAB O=C1C[C@H](NC(=O)C2(c3ccccc3F)CCCC2)CN1c1ccccc1 84549311 YTUPZZFHOXPERK-INIZCTEOSA-N 366.436 3.559 0 40 FHAB CCOc1ccc(-c2cc(C(=O)Nc3cc(C)no3)no2)cc1OCC 13729535 JZDJOHOWOQAAEN-UHFFFAOYSA-N 357.366 3.688 0 40 FHAB Cc1ccc(Nc2ccccc2NS(=O)(=O)c2c(C)nn(C)c2C)cc1 39996414 PHQJKMLOXYKPHA-UHFFFAOYSA-N 370.478 3.890 0 40 FHAB C[C@@H](NCC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1cccs1 14244621 WMTMSWVVNHRGQU-CQSZACIVSA-N 371.506 3.710 0 40 FHAB COC(=O)CCCNC(=O)c1cccnc1Sc1ccc(C)cc1C 6509508 ZSMDUKYTXGYKII-UHFFFAOYSA-N 358.463 3.533 0 40 FHAB COc1ccccc1-c1noc(CCC(=O)Nc2ccc(Cl)cc2)n1 5556795 OIJSWFLUERDNJI-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB CC(=O)Nc1cccc(N2C(=O)c3cccc4c(C(C)=O)ccc(c34)C2=O)c1 6950013 FWZUGCHPAWCKQB-UHFFFAOYSA-N 372.380 3.801 0 40 FHAB CCCCn1c(SCC(=O)Nc2ccccc2)nc2cc(C)[nH]c2c1=O 67238432 GROKFQWRCPPPNL-UHFFFAOYSA-N 370.478 3.564 0 40 FHAB CCCn1c(NC(=O)CCOc2ccc(OC)cc2)nc2ccccc21 15497767 RYQXXNGOHKVYJY-UHFFFAOYSA-N 353.422 3.863 0 40 FHAB NC(=O)c1ccc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1 9548498 MSTOJSRYRQGBKV-UHFFFAOYSA-N 357.822 3.815 0 40 FHAB C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1c(F)cccc1F 7260087 VEORWYPKUXCODV-QMMMGPOBSA-N 366.418 3.931 0 40 FHAB O=C(OCc1cc(-c2cccs2)on1)c1cc2ccccc2c(=O)[nH]1 7319748 WQUTWBYEJYWBRZ-UHFFFAOYSA-N 352.371 3.602 0 40 FHAB Cc1nnc(S[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)n1C1CC1 7617678 VNTVWEUGCNENDL-YVEFUNNKSA-N 356.495 3.596 0 40 FHAB CN(c1ccc(-c2csc(-c3cccs3)n2)cc1)S(C)(=O)=O 7736646 XFHTWXOLDIIHDQ-UHFFFAOYSA-N 350.490 3.934 0 40 FHAB Nc1cc(Cl)ccc1NC(=O)c1cccc(I)c1 20480540 ZUVYGPSUOICSPY-UHFFFAOYSA-N 372.593 3.779 0 40 FHAB COP(=O)(OC)[C@H](NC(=O)c1cccs1)C(Cl)(Cl)Cl 16750999 ZXZRZDDESSLIPF-QMMMGPOBSA-N 366.590 3.660 0 40 FHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)N(C)Cc1ccc2c(c1)OCCO2 8225975 YATVSOQJYRQYFP-ZDUSSCGKSA-N 360.841 3.570 0 40 FHAB COc1cccc(C(=O)Nc2ccnn2-c2ccc(Cl)cc2)c1OC 95962182 FEQUAKABQAQFBN-UHFFFAOYSA-N 357.797 3.795 0 40 FHAB CC(=O)N1CCC(C(=O)Nc2nc3c(ccc4ccccc43)s2)CC1 9721262 RNFIBTPNMYASSC-UHFFFAOYSA-N 353.447 3.647 0 40 FHAB Cc1ccc(NC(=O)NC(=O)COc2c(F)c(F)cc(F)c2F)c(C)c1 8429235 BFRXGFDJFGAESZ-UHFFFAOYSA-N 370.302 3.587 0 40 FHAB COc1ccc(CN2CCNC(=O)C[C@@H]2c2ccccc2)c(OC(C)C)c1 92075813 IYRKLBPORGDCKP-HXUWFJFHSA-N 368.477 3.546 0 40 FHAB CN(Cc1cccc(Cl)c1)C(=O)C[C@@H]1Sc2ccccc2NC1=O 18009272 DENWBGUPUFFXIG-INIZCTEOSA-N 360.866 3.802 0 40 FHAB CC(C)Cn1ccc2cc(NC(=O)Cn3c(=O)cnc4ccccc43)ccc21 70773918 UTPJJWVVDOBSCO-UHFFFAOYSA-N 374.444 3.646 0 40 FHAB CN(Cc1ccc(F)c(F)c1)C(=O)c1ccc2c(c1)NC(=O)CCS2 23041745 QPUUODYZHPZMMW-UHFFFAOYSA-N 362.401 3.671 0 40 FHAB CCO[C@@H]1C[C@@H](NC(=O)Cc2cc(C(C)=O)ccc2OC)C12CCCCC2 76042194 FYAYWUODQCRQDF-WOJBJXKFSA-N 373.493 3.684 0 40 FHAB CCCCc1nnc(SCc2cc(=O)c3c(C)cc(C)cc3[nH]2)n1C 21098871 VNIUEMDNZLLWLZ-UHFFFAOYSA-N 356.495 3.908 0 40 FHAB COc1ccc(C)cc1NC(=O)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 22540735 FVXFRJZBXGVJQL-MRXNPFEDSA-N 354.450 3.745 0 40 FHAB Cc1cccc(Nn2c(N)nn(CC(=O)c3ccccc3Cl)c2=S)c1 36625718 XSYYAEPDHOWXNH-UHFFFAOYSA-N 373.869 3.716 0 40 FHAB COc1ccccc1N(Cc1c(Cl)cccc1Cl)S(C)(=O)=O 408628257 VKHXOOHUJJWXOZ-UHFFFAOYSA-N 360.262 3.968 0 40 FHAB Cc1cccc(Nc2cc(C)nc([C@H]3CCCCN3C(=O)C(C)C)n2)n1 72383674 RHPFCHKHXDJJDI-MRXNPFEDSA-N 353.470 3.942 0 40 FHAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccc(Cl)cc1)c1cscn1 72396969 TUANMLBXVQNUDW-OAHLLOKOSA-N 372.881 3.849 0 40 FHAB Cc1ccc(CN(CC(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)cc1 224239563 DDZSPJPNQYBYIA-UHFFFAOYSA-N 374.506 3.519 0 40 FHAB COc1ccc(OC)c([C@@H](O)CNC(=O)Nc2ccc(C)c(Cl)c2)c1 40088336 WONFBMSPKPQTPD-INIZCTEOSA-N 364.829 3.521 0 40 FHAB CCOC(=O)c1cnc2ccc(Br)cc2c1Br 47913107 VVAKXJZEXZQQIS-UHFFFAOYSA-N 359.017 3.937 0 40 FHAB CCOC(=O)c1ccc(NC(=O)COc2cccc(OC)c2)cc1Cl 222792926 HUMIRYKECYJUSK-UHFFFAOYSA-N 363.797 3.543 0 40 FHAB CN(C)C(=O)c1ccc(NC(=S)NCCSCc2ccccc2)cc1 225291620 UVZCDMXVMXLXHM-UHFFFAOYSA-N 373.547 3.608 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2c(C)cccc2C)cc1 40142988 VMQZCJXDSPTJHG-UHFFFAOYSA-N 374.506 3.651 0 40 FHAB CC(=O)NCc1ccc(C(=O)NCC2(c3ccc(F)cc3)CCCC2)cc1 48333232 XKVODIOZOGYBLN-UHFFFAOYSA-N 368.452 3.704 0 40 FHAB CCOC(=O)[C@]12CCCN(Cc3ccc(C)s3)C[C@H]1CN(C(C)C)C2 96055905 SFVMHYUDOPOOII-PXNSSMCTSA-N 364.555 3.542 0 40 FHAB Cc1ccc(Nc2nc([C@H]3CCCN3Cc3nccn3C)cs2)nc1 257323032 WIMOQTCJRICSDC-OAHLLOKOSA-N 354.483 3.661 0 40 FHAB FCCC1(c2nc(-c3cccc(I)c3)no2)CC1 589360337 XTMGWCITQJCCIN-UHFFFAOYSA-N 358.154 3.732 0 40 FHAB Cc1cc(C)c(NS(=O)(=O)c2ccnn2CCc2ccccc2)c(C)c1 621994140 HZUZRHKXZAUVLT-UHFFFAOYSA-N 369.490 3.852 0 40 FHAB Cc1cn2c(n1)C[C@H](C(=O)N(Cc1cccnc1)Cc1ccccc1C)CC2 624531198 JNLHQXFRQVZSLZ-HXUWFJFHSA-N 374.488 3.686 0 40 FHAB CCc1nnsc1C(=O)N1C[C@@H](c2ccccc2Cl)OCC1(C)C 110512779 OJQBJARKOBXRNR-AWEZNQCLSA-N 365.886 3.746 0 40 FHAB Cc1ccc(C(=O)NC[C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NO2)cn1 96011884 RCWZQCOTWDQOFG-NRFANRHFSA-N 371.440 3.980 0 40 FHAB Cc1ccccc1CN1CCC(Oc2ncc(Br)cn2)CC1 1203706503 GGDNGHKGMNXLCL-UHFFFAOYSA-N 362.271 3.591 0 40 FHAB C[C@@H](NC(=O)C1CCN(c2nc3ccccc3n2C)CC1)c1ccccc1 12116342 FNIHXDXUCBCEBP-MRXNPFEDSA-N 362.477 3.667 0 40 FHAB Cc1csc(NC(=O)c2sc3nc(-c4ccccn4)ccc3c2N)n1 12463239 JGJAPFVVEXKDKY-UHFFFAOYSA-N 367.459 3.958 0 40 FHAB CCOc1ccc(C(=O)Nc2cccc(C(=O)N(CC)CC)c2)cc1OC 14168118 SHOVDSKUCQBPDK-UHFFFAOYSA-N 370.449 3.828 0 40 FHAB CCCNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 14734341 VHKLBLBFSSMGPZ-UHFFFAOYSA-N 374.506 3.532 0 40 FHAB COc1cc(OC)nc(NC(=S)Nc2ccc(Cl)cc2Cl)n1 16215074 WBNOOCFENOCWCU-UHFFFAOYSA-N 359.238 3.610 0 40 FHAB COc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2)c(OC)c1 17052454 MROXQCVGZHUHIX-UHFFFAOYSA-N 361.405 3.885 0 40 FHAB CC(C)OCCN1CCC(NC(=O)N[C@H]2CC(C)(C)c3ccccc32)CC1 150984677 XPVJZCXGIFISRE-FQEVSTJZSA-N 373.541 3.598 0 40 FHAB Cc1noc(C)c1[C@@H](C)CNC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1 151461944 NNRPTTXXSPMAER-HNAYVOBHSA-N 370.497 3.705 0 40 FHAB COc1ccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)cc1 4550934 QEDWFKCRSAUUHO-XMHGGMMESA-N 362.385 3.698 0 40 FHAB CC(=O)N1CCCCCCCCN(CC(=O)NC(C)C)Cc2ccccc21 643575603 NZIFUPOJIMXLRV-UHFFFAOYSA-N 373.541 3.720 0 40 FHAB Cc1ccc2nc(COC(=O)c3cc4c(s3)CC[C@H](C)C4)cc(=O)n2c1 5429910 ABNCPVJWMYZLSQ-LBPRGKRZSA-N 368.458 3.546 0 40 FHAB Cc1cc(C)c(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)c(Cl)c1 7046992 RUIDHNDLUNAANX-UHFFFAOYSA-N 362.857 3.605 0 40 FHAB O=C(N[C@@H](c1cccs1)C1CCOCC1)c1cnc2ccccc2n1 1565523187 IPWUHALOWYUBCG-GOSISDBHSA-N 353.447 3.589 0 40 FHAB CN(C)CCN(C(=O)c1cccs1)c1nc2c(F)cc(F)cc2s1 5121738 OCVSFOZAWJVLAK-UHFFFAOYSA-N 367.446 3.844 0 40 FHAB COc1ccccc1N1CCN(C(=O)Nc2cn(C)c3ccccc23)CC1 5265612 OXYYNTUHLSGESP-UHFFFAOYSA-N 364.449 3.541 0 40 FHAB CC(=O)N(C)Cc1nc2ccccc2n1CCCOc1ccc(C)cc1 7425423 FKLKNBDHGCGXCU-UHFFFAOYSA-N 351.450 3.792 0 40 FHAB O=C(NC[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)Nc1ccccc1F 9040216 SDCIZFHNHIRSGS-GFCCVEGCSA-N 361.804 3.654 0 40 FHAB CCN1CCN([C@H](c2cccs2)[C@H](C)NC(=O)c2cccc(C)c2)CC1 22460087 BNNOXCNTTHVEHA-PXNSSMCTSA-N 371.550 3.554 0 40 FHAB O=c1[nH]c2ccc(S(=O)(=O)Oc3ccc(C4CCCCC4)cc3)cc2[nH]1 41091372 JIJDYOFPEXBUGL-UHFFFAOYSA-N 372.446 3.672 0 40 FHAB O=C(Nc1cc2c3c(c1)CC(=O)N3CCC2)c1ccccc1Br 4850539 CFYUWAZHVGKDCX-UHFFFAOYSA-N 371.234 3.537 0 40 FHAB CCCN(CCC)S(=O)(=O)c1cc(Br)c(C)cc1OC 27588211 HOZYNVGRCVGDPX-UHFFFAOYSA-N 364.305 3.577 0 40 FHAB C=CC(=O)Nc1ccc(C(=O)N[C@H]2CCSc3c(F)cccc32)cc1 77580112 UGPSWICYPSJCJZ-INIZCTEOSA-N 356.422 3.917 0 40 FHAB CC[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccc(Cl)cc1 10423349 JJKZUHDNTKVFLU-KRWDZBQOSA-N 365.882 3.766 0 40 FHAB CC1CCC(NC(=O)[C@H](C)S(=O)(=O)Cc2ccc(C(C)C)cc2)CC1 40106001 SFDMRECCRMRUHX-WUJZJPHMSA-N 365.539 3.808 0 40 FHAB Cc1cc(C)cc(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)c1 32002592 ROGTWYCBPHFJQE-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB COc1cc(C(=O)Nc2ccc(N(C)C)nc2)ccc1OCCC(C)C 32883907 DWBFFAYIGKZSNQ-UHFFFAOYSA-N 357.454 3.833 0 40 FHAB COCCOc1cc(NC(=O)c2c[nH]cc2-c2ccccc2)ccc1OC 52666648 QXAQRXOZVBHSFZ-UHFFFAOYSA-N 366.417 3.968 0 40 FHAB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1F)C2(c1ccccc1)c1ccccc1 103130178 CNPVNARTQLVODB-WOJBJXKFSA-N 357.384 3.931 0 40 FHAB Cc1cc(C)nc(SCC(=O)Nc2ccc3oc(C4CC4)nc3c2)n1 33213989 IHNXKEUXKHPRPT-UHFFFAOYSA-N 354.435 3.843 0 40 FHAB COc1cc(OC)c(CNC[C@@H](c2ccco2)N2CCCCC2)c(OC)c1 22024827 WXSMOZTUNBXGQH-SFHVURJKSA-N 374.481 3.622 0 40 FHAB O=C(Cn1ccc2ccc(Cl)cc21)NCCCc1nc2ccccc2[nH]1 53191568 POOSZKMLEKQPLZ-UHFFFAOYSA-N 366.852 3.920 0 40 FHAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1cnc2c(c1)c(C)nn2C 22472976 NNENHHRDFRPBBX-UHFFFAOYSA-N 363.446 3.961 0 40 FHAB CN(C)c1ccc(CCCNC(=O)c2ccccc2Br)cc1 23001825 QGSKNSVZMHGIQL-UHFFFAOYSA-N 361.283 3.878 0 40 FHAB O=C(Nc1cnc2sc3c(n2c1=O)CCCC3)c1ccc(Cl)cc1 12429044 ZBSIOUKNDKJIBM-UHFFFAOYSA-N 359.838 3.541 0 40 FHAB CCOc1ccc(NC(=O)c2ccccc2NC(=O)c2cccnc2)cc1 3073194 ZQTYEBIULJXMLZ-UHFFFAOYSA-N 361.401 3.985 0 40 FHAB CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccccc1SC(F)F 78800970 OOYDPWODJMFNDX-CYBMUJFWSA-N 373.469 3.576 0 40 FHAB Cn1cc(CCC(=O)NCCCc2nc3ccccc3[nH]2)c2ccccc21 79488206 QOMYIFRTZKQMLC-UHFFFAOYSA-N 360.461 3.736 0 40 FHAB NC(=O)Cc1ccc(NC(=O)c2ccc(OCc3cccs3)cc2)cc1 24493200 VCFAYDBAMWSUDO-UHFFFAOYSA-N 366.442 3.607 0 40 FHAB CCOC(=O)Nc1cc(NC(=O)OCC)c(C)c(NC(=O)OCC)c1 4778148 HBZWMMPXPFFHGF-UHFFFAOYSA-N 353.375 3.700 0 40 FHAB Cc1cccc(C(=O)NC2CCN(C(=S)Nc3ccccc3)CC2)c1 4857488 NWMZKGPAWWOLEO-UHFFFAOYSA-N 353.491 3.586 0 40 FHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccccc1C(C)C 6347863 ZRQYQODIGOKTJJ-UHFFFAOYSA-N 358.463 3.954 0 40 FHAB COc1cc(C(=O)OCc2ncc(-c3ccccc3)o2)cc(OC)c1OC 6611217 BCSURBZGAYBXTI-UHFFFAOYSA-N 369.373 3.724 0 40 FHAB CSc1cccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1 7127973 LRJUBDKAFQNTKG-UHFFFAOYSA-N 360.504 3.961 0 40 FHAB CC[C@@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccc(C)cc1 25046628 JDUWVSFAAUTEEB-GOSISDBHSA-N 363.461 3.822 0 40 FHAB COCCOc1ccc(NC(=O)Cc2coc(-c3ccccc3)n2)cc1F 55726553 FKHGKRVJLGHPPB-UHFFFAOYSA-N 370.380 3.687 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)c3cc(C)n(C)c3C)o2)cc1 3284008 JJSUCUZPOXXAOO-UHFFFAOYSA-N 357.435 3.676 0 40 FHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1nccn1Cc1ccccc1 26906907 LILVGNDOFIBKRI-GOSISDBHSA-N 372.476 3.705 0 40 FHAB O=S(=O)(NN(Cc1ccccc1)Cc1ccccc1)c1ccccc1 20970512 PFGQOULYMYHZEP-UHFFFAOYSA-N 352.459 3.582 0 40 FHAB C[C@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)N[C@@H]1CCCC[C@@H]1C 107444820 PONQUAMEYVTXBO-WKUJHEPZSA-N 366.461 3.875 0 40 FHAB Cc1ccc(CN2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 9063136 ORNPQMAKYCUIEA-UHFFFAOYSA-N 366.461 3.617 0 40 FHAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 107567864 JRDIDRDZYAUWKC-JKQORVJESA-N 370.522 3.857 0 40 FHAB CCCOc1ccc(CNCCOc2ccccn2)cc1Br 57356050 ZEKAVZGAMZTBCZ-UHFFFAOYSA-N 365.271 3.802 0 40 FHAB O=S(=O)(c1ccc(Oc2cc(Cl)cc(Cl)c2)nc1)N1CCCC1 12606579 ZTYNFVHOMAWEPX-UHFFFAOYSA-N 373.261 3.965 0 40 FHAB Cc1ccc2c(CN(C)Cc3ccc4c(c3)OCCO4)cc(=O)oc2c1C 57878379 PYKLEKNDHMWFNW-UHFFFAOYSA-N 365.429 3.813 0 40 FHAB Cc1cccc(OCC(=O)NC[C@@H](c2cccs2)N2CCCCC2)c1 27663923 WUIKHIBFPMGWRC-SFHVURJKSA-N 358.507 3.779 0 40 FHAB Cc1ccc(S[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 58104430 LTALLIVKUAQZTM-HKUYNNGSSA-N 354.519 3.866 0 40 FHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2cccc(F)c2)CC1 58537580 QDBLJNUDQZSJBU-UHFFFAOYSA-N 355.409 3.692 0 40 FHAB O=C(NCc1sccc1Br)N1CCC[C@H]1c1ccncc1 58587394 ICSIZMSBINHQRR-ZDUSSCGKSA-N 366.284 3.952 0 40 FHAB CC[C@H](Oc1ccccc1C)C(=O)NCCCN1CCc2ccccc21 20044375 BCIZLTYJODMWFF-FQEVSTJZSA-N 352.478 3.721 0 40 FHAB CCc1nnc(NC(=O)CSc2nccn2-c2cc(C)cc(C)c2)s1 2468168 OMQZRJFSQMIWGD-UHFFFAOYSA-N 373.507 3.634 0 40 FHAB CCCCOc1ccccc1NC(=O)CCc1nc(-c2cccnc2)no1 48369201 RAQKJCWOXHWOFO-UHFFFAOYSA-N 366.421 3.882 0 40 FHAB Cc1ccsc1C(=O)NCc1ccccc1CN1C[C@H](C)O[C@H](C)C1 48358477 HAVQKAJMTOLAMJ-IYBDPMFKSA-N 358.507 3.596 0 40 FHAB CCc1ccc(Cn2nccc2NC(=O)c2ccc(OC)cc2F)cc1 29766233 BTAUYIBYRVVUAS-UHFFFAOYSA-N 353.397 3.894 0 40 FHAB CCCCCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 10329398 SYORUFBBEFHWEX-UHFFFAOYSA-N 360.479 3.716 0 40 FHAB CCc1nc2ccccc2c(C(=O)OCC(=O)N(C)c2ccccc2)c1C 2642417 WKNULKVXBPSGTP-UHFFFAOYSA-N 362.429 3.925 0 40 FHAB O=S(=O)(c1ccc(Br)s1)N1CCCc2ccccc21 10449583 ZSYRWEAYKVNKRR-UHFFFAOYSA-N 358.282 3.652 0 40 FHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)CSc1nnc(-c3cccnc3)o1)C2 101314607 RODFAPBESPEXQA-KSMMKXTCSA-N 372.494 3.555 0 40 FHAB Cc1ccc(OCn2ccc(C(=O)Nc3ccc(Cl)cn3)n2)c(C)c1 2795747 QHENEOUTUVXLKA-UHFFFAOYSA-N 356.813 3.837 0 40 FHAB CCOc1ccccc1C(=O)Nc1nnc(COc2ccccc2)s1 2746350 JXDNGMOKPDKELN-UHFFFAOYSA-N 355.419 3.768 0 40 FHAB CN(Cc1cccs1)C(=O)CCCNC(=O)c1ccc(Cl)cc1 3504406 TVZKCYGJSSVDLL-UHFFFAOYSA-N 350.871 3.570 0 40 FHAB CCCc1ccc([C@H](Nc2ccc3nnnn3n2)c2cccs2)cc1 12947665 GTDGCFNATSFJAG-SFHVURJKSA-N 350.451 3.735 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1N1CCCC1=O 13000477 AAXXXKORMNMPKA-ZDUSSCGKSA-N 358.825 3.873 0 40 FHAB O=C1COc2ccc(C3=NN=C(Nc4ccccc4Cl)SC3)cc2N1 13015941 YVBBUILFZLFFNV-UHFFFAOYSA-N 372.837 3.590 0 40 FHAB COc1cc(CNC(C)(C)CO)cc(Cl)c1OCc1cccs1 5019669 IDFQGCDNHLTXRF-UHFFFAOYSA-N 355.887 3.850 0 40 FHAB CCOc1ccc(NC(=O)c2ccc(NC(=S)NC3CC3)cc2)cc1 13865287 XHSOYRBBWXXYSK-UHFFFAOYSA-N 355.463 3.786 0 40 FHAB CC(C)(C)c1ccc(C(=O)CN2C(=O)N[C@@](C)(c3cccs3)C2=O)cc1 9219206 BQLARSZQTAMALJ-FQEVSTJZSA-N 370.474 3.696 0 40 FHAB CCOc1ncccc1C(=O)Nc1ccnn1Cc1ccc(CC)cc1 14188982 CZOVEWSJBBCJPW-UHFFFAOYSA-N 350.422 3.540 0 40 FHAB Cc1cccc(-c2nnc3sc([C@H]4COc5ccccc5O4)nn23)c1 4511671 XLJKDQLZKNNVIJ-OAHLLOKOSA-N 350.403 3.674 0 40 FHAB CCn1c(SC[C@@H]2COc3ccccc3O2)nnc1-c1cccs1 6541896 ZCLITZBBSUYRFZ-LBPRGKRZSA-N 359.476 3.959 0 40 FHAB CCOC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CCCCCC2 4611835 PVFMLMPJVNZFDG-ZDUSSCGKSA-N 351.468 3.701 0 40 FHAB O=c1c2ccccc2nc(CNC2CCCCC2)n1-c1ccc(F)cc1 4662430 SXZBUQWFJWZGEO-UHFFFAOYSA-N 351.425 3.947 0 40 FHAB CC(C)(C)OC(=O)N1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1 4699270 TVWBZPMRDIDEIG-GOSISDBHSA-N 358.482 3.827 0 40 FHAB C[C@H](NS(=O)(=O)c1ccc(F)c(F)c1)C12CC3CC(CC(C3)C1)C2 5560469 UCRYAXCLNDPCDW-IWERZKIRSA-N 355.450 3.848 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)N2CCCC2)n1-c1ccccc1 4843413 XYLJZUBQZWGFQW-UHFFFAOYSA-N 368.462 3.550 0 40 FHAB COc1cc(C)ccc1OC(=O)CCCc1nc(-c2ccccc2)no1 27450742 NLIKTAUGVHJBMO-UHFFFAOYSA-N 352.390 3.982 0 40 FHAB COc1cc(CCC(=O)N2CCCc3ccccc32)cc(OC)c1OC 7608311 AWSDDKTXDDUKDL-UHFFFAOYSA-N 355.434 3.624 0 40 FHAB CCc1ccccc1NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1C 7724175 VWYKBGUDLKHRCP-UHFFFAOYSA-N 374.506 3.840 0 40 FHAB CS(=O)(=O)c1cccc(NC(=O)c2cc(C3CC3)nc3ccccc23)c1 7944736 DZPPFNFFYBFBSO-UHFFFAOYSA-N 366.442 3.768 0 40 FHAB CCOc1ccccc1C(=O)Nc1nnc(Cc2ccccc2OC)s1 9582155 HWDCNOWTXGKNII-UHFFFAOYSA-N 369.446 3.789 0 40 FHAB CCC(CC)NC(=O)COc1ccc(NC(=O)c2ccccc2OC)cc1 8274018 MFVAJPODDXDTTF-UHFFFAOYSA-N 370.449 3.631 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C3CCCC3)c2)cc1 20041492 BYLFSGGTJOLZSR-UHFFFAOYSA-N 372.490 3.810 0 40 FHAB O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccsc1 8751910 PKJGGSMCCXECJA-UHFFFAOYSA-N 350.443 3.973 0 40 FHAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1cccc(OC(F)F)c1 95478361 WWWPBSGCFVFESN-CYBMUJFWSA-N 369.393 3.783 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3cccs3)nc2C)no1 9883577 XYKVCHZEYKFIHW-GFCCVEGCSA-N 371.418 3.599 0 40 FHAB CCn1c(C)cc(C(=O)CSc2nnc(Cc3ccccc3)n2C)c1C 9818123 OFDWYILFLNTMNK-UHFFFAOYSA-N 368.506 3.819 0 40 FHAB O=C(COc1ccc(C(=S)N2CCCCC2)cc1)Nc1ccccc1 409229186 KWSBJPKFTNNZHM-UHFFFAOYSA-N 354.475 3.866 0 40 FHAB COc1ccc(N(Cc2cccs2)C(=O)c2c[nH]c(=O)c(Cl)c2)cc1 89444130 XKQHZKABNBGCOT-UHFFFAOYSA-N 374.849 3.945 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)c1cn(-c2ccc(Cl)cc2)nn1 24841940 YCTMNXQYBOJMRS-CQSZACIVSA-N 354.841 3.672 0 40 FHAB CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(c2ccccc2)CC1 20452213 XWYSLKLUJISDGQ-GOSISDBHSA-N 358.869 3.846 0 40 FHAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cccs1 20152356 RKMSFRCWNDYPCN-UHFFFAOYSA-N 372.471 3.936 0 40 FHAB COc1cc(OC)cc(C(=O)N[C@@H](C)c2cccc(Br)c2)c1 20025280 COJHAZWASCVEBU-NSHDSACASA-N 364.239 3.957 0 40 FHAB COc1ccc(N2C[C@@H](C(=O)NC3CCC(C(C)(C)C)CC3)CC2=O)cc1 408708332 PFGWFSCTMNFRTQ-GTPINHCMSA-N 372.509 3.769 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N(C)Cc1ccc(OC)c(OC)c1 20492193 BSNDQTZBFHEWMZ-SFHVURJKSA-N 373.449 3.528 0 40 FHAB COc1ccc(CCNC(=O)Cc2csc(-c3ccc(C)o3)n2)cc1 32815778 TWPOHZMNJVINOJ-UHFFFAOYSA-N 356.447 3.622 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 33028702 VEEKSZGZZUZPKY-BEFAXECRSA-N 372.490 3.796 0 40 FHAB Cc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)[C@H]4C[C@@H]4C)C3)noc2n1 72390235 MBYJENLOSVXTAX-WCQGTBRESA-N 367.371 3.912 0 40 FHAB COc1ccc(OC)c2c1cc(C(=O)Nc1cccc(C(C)=O)c1)n2C 72402434 FYRDTGXQCNBFPC-UHFFFAOYSA-N 352.390 3.650 0 40 FHAB O=C(CCc1ccc(F)cc1)NCc1nc(-c2ccccc2Cl)no1 224550785 BUFZSDSIWWKYSI-UHFFFAOYSA-N 359.788 3.778 0 40 FHAB COc1ccc(-c2nnsc2C(=O)Nc2cc(C)ccc2OC)cc1 225762644 LDQPQBTYXMNYNV-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccc(F)cc1 225190136 ZYFMQXDLSZZLDX-HNNXBMFYSA-N 357.425 3.667 0 40 FHAB CC[C@H]1CCCCN1CCCNC(=O)COc1cccc(C(F)(F)F)c1 225813540 DLVIPRLTFXCAKK-INIZCTEOSA-N 372.431 3.855 0 40 FHAB O=C(c1cccs1)N1CCC(C(=O)N2CCCc3cc(F)ccc32)CC1 46295508 HFQXMYRHEWPAJM-UHFFFAOYSA-N 372.465 3.719 0 40 FHAB CN(Cc1nc(-c2ccccc2)no1)C(=O)Cc1ccc(Cl)cc1F 223139009 RGPVYJRHYHEXGJ-UHFFFAOYSA-N 359.788 3.730 0 40 FHAB COc1ccc(S(=O)(=O)N2CCC(c3ccsc3)CC2)cc1Cl 77099791 UTZGJRNRHSHUDX-UHFFFAOYSA-N 371.911 3.978 0 40 FHAB COc1ccc(CCNC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 225112869 ZBRYCALMMIOGEA-INIZCTEOSA-N 353.462 3.700 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C 224740602 IFXRIRNVCUPXKS-LJQANCHMSA-N 366.505 3.789 0 40 FHAB C[C@H](Oc1ccccc1Cl)C(=O)NCC1(c2ccccc2)CCOCC1 225862587 MWQVNTGBSWTNHI-INIZCTEOSA-N 373.880 3.972 0 40 FHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(OC)cc1 224445371 BUXGTEOURQAJSY-GOSISDBHSA-N 363.841 3.701 0 40 FHAB C[C@@H](COc1ccccc1)NC(=O)[C@H](C)Oc1cccc2c1CCCC2 224907018 HILLDWNKYHSUBQ-IRXDYDNUSA-N 353.462 3.916 0 40 FHAB O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)N1CCC[C@@H](c2ncc[nH]2)C1 333762681 WBCXJDCVXZCPJO-GUDVDZBRSA-N 352.482 3.710 0 40 FHAB Cn1cc(CN2CCCN(CC(F)F)CC2)c(-c2cc3ccccc3o2)n1 585084624 RSCBYPYZCUOMDC-UHFFFAOYSA-N 374.435 3.606 0 40 FHAB O=C(CC1=CCCCC1)N1CC2(C[C@@H](OCc3cccnc3)CS2)C1 247805912 BBJYCFSAWFCIJX-GOSISDBHSA-N 358.507 3.575 0 40 FHAB Cc1cc(-c2nccn2C)nc(C2CCN(Cc3ccsc3)CC2)n1 257292554 QMBWAKIBXINLBT-UHFFFAOYSA-N 353.495 3.627 0 40 FHAB Cc1cc2cc(C(=O)NCc3cnc([C@H]4CCCCO4)nc3)ccc2o1 257340726 ZHHSLHNABIIDCF-GOSISDBHSA-N 351.406 3.703 0 40 FHAB Cc1cc(C[C@H](C)NC(=O)Nc2cnc(N3CCCC[C@H]3C)c(C)c2)n[nH]1 547833961 LRIZNKDLBMFISY-GOEBONIOSA-N 370.501 3.553 0 40 FHAB C[C@@H](NC(=O)c1ccn(C2CCOCC2)n1)c1cccc(C(F)(F)F)c1 623473309 RJIHNSMPTQOTJO-GFCCVEGCSA-N 367.371 3.744 0 40 FHAB CC[C@@H](NC(=O)N[C@H]1CCc2ccccc2NC1=O)c1cc(F)ccc1F 654456091 QVXSEKYTDJPUKU-AEFFLSMTSA-N 373.403 3.669 0 40 FHAB CCc1noc([C@H]2CC[C@@H](NC(=O)N3CCc4c(Cl)cccc43)C2)n1 1685475459 UUNJFICGERJSFU-NWDGAFQWSA-N 360.845 3.694 0 40 FHAB CC(C)C[C@@H](NC(=O)N1CCc2c(cccc2C(N)=O)C1)c1cccs1 663771777 RCRPJRHCHCIEMR-QGZVFWFLSA-N 371.506 3.702 0 40 FHAB CN(C)Cc1cc([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)ccn1 585182244 CSRMBCCQYPCKRA-QGZVFWFLSA-N 355.507 3.671 0 40 FHAB COc1ccccc1C1(CNC(=O)N[C@@H]2CCOc3ccc(F)cc32)CC1 69090919 BSMVSYDKYHJGIK-QGZVFWFLSA-N 370.424 3.689 0 40 FHAB COC[C@H]1CCCN(C(=O)Nc2ccc(OCCc3ccccc3)nc2)C1 77527738 DZRHAWNLUAARKH-SFHVURJKSA-N 369.465 3.593 0 40 FHAB Cc1cnc(Br)c(NC(=O)C2=NO[C@@H](c3ccccc3)C2)c1 1538309015 DPHFJNJDYNNHDR-CQSZACIVSA-N 360.211 3.609 0 40 FHAB COc1ccccc1C1(CNC(=O)c2cc3c(s2)CCC3)CCOCC1 56459622 BGEFZXDNCDPFSI-UHFFFAOYSA-N 371.502 3.724 0 40 FHAB O=C(C1CCC1)N1CCN(c2nc3c(C(F)(F)F)cccc3s2)CC1 77101068 USWIUFCBBZPBHI-UHFFFAOYSA-N 369.412 3.764 0 40 FHAB CCOC(=O)C(C(=O)OCC)[C@H](c1ccccc1)c1ccccc1OC 5574384 TYAMSNNHAVTTSR-GOSISDBHSA-N 356.418 3.570 0 40 FHAB CC(C)c1ccc2[nH]c3nc(SCC(=O)NC(C)(C)C)nnc3c2c1 5625167 GWLZRFVCYHIQGI-UHFFFAOYSA-N 357.483 3.636 0 40 FHAB O=C(C[C@@H]1Nc2ccccc2OC1=O)Nc1ccc(Cl)c(Cl)c1 14165512 MYWGCGZNKDDKLE-ZDUSSCGKSA-N 351.189 3.722 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)CN1C(=O)c2cccc3cccc1c23 14214621 UECCHLHUFMDOTG-AWEZNQCLSA-N 360.413 3.686 0 40 FHAB COc1ccc(CNC(=O)[C@H](C)Oc2cccc3ccccc23)cc1OC 15332338 KSWCMNOVFAKQCM-HNNXBMFYSA-N 365.429 3.941 0 40 FHAB CC(=O)N(c1ccccc1C)[C@H]1SC(=O)N(c2ccc(C)cc2)C1=O 16661812 CVQJQMQKLACUIS-SFHVURJKSA-N 354.431 3.882 0 40 FHAB CCCn1ncc(C(=O)NCC2(c3cc(C)cc(C)c3)CCOCC2)c1C 19525900 SYSCVNKPUUTTBR-UHFFFAOYSA-N 369.509 3.697 0 40 FHAB COc1ccc(Br)c(C(=O)N2[C@H]3CC[C@H]2CC(SC)C3)c1 206758042 YVLFJJGOKJVERO-QWRGUYRKSA-N 370.312 3.956 0 40 FHAB COc1ccc(CCC(=O)N2[C@H]3C=CC[C@H]2CC3)cc1Br 208018645 NOPZXJUDNCMJSA-KBPBESRZSA-N 350.256 3.710 0 40 FHAB O=C(OCC(=O)N1CCc2ccccc21)c1ccc(Cl)c(Cl)c1 5118486 NOLGDVDVESCKDC-UHFFFAOYSA-N 350.201 3.740 0 40 FHAB O=C(c1ccccn1)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1889975176 QWKBYPBFYLLABG-UHFFFAOYSA-N 352.825 3.698 0 40 FHAB CNC(=O)c1c(NC(=O)c2ccc(Br)s2)sc(C)c1C 5144940 ZTXROXRAASFOSF-UHFFFAOYSA-N 373.297 3.801 0 40 FHAB Cc1ccc(NC(=O)Nc2nc(CC(=O)N3CCC[C@@H](C)C3)cs2)cc1 9784753 VLPDGWOPZAOMBQ-CQSZACIVSA-N 372.494 3.897 0 40 FHAB O=C(Nc1cc(F)ccc1F)c1ccc(=O)n(Cc2cccc(F)c2)c1 15882922 UWULFKOUYZJEGY-UHFFFAOYSA-N 358.319 3.566 0 40 FHAB O=C(NCc1cc(-c2ccccc2F)on1)c1cc(=O)c2ccccc2o1 16838528 IMZAKTTYVPACNJ-UHFFFAOYSA-N 364.332 3.517 0 40 FHAB Cc1nc(C)c(C(=O)N2CC(n3c(C4CC4)nc4ccccc43)C2)s1 1775970431 MSHMEJMTMUICNS-UHFFFAOYSA-N 352.463 3.684 0 40 FHAB O=C(CC(c1ccccc1)c1ccccc1)N1CC[C@@H](Oc2ncccn2)C1 575609969 DBZMMQGAASHSDD-HXUWFJFHSA-N 373.456 3.679 0 40 FHAB Cc1nc2ccccc2n1[C@H]1C[C@H]2CN(C3CCCCC3)C[C@H]2C[C@@H]1O 2332242610 CTVMZPFEFHSSIF-YVCBRDFCSA-N 353.510 3.921 0 40 FHAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(F)cc1)C2(c1ccccc1)c1ccccc1 101008363 HHVWJCYWHZDFDC-PMACEKPBSA-N 357.384 3.931 0 40 FHAB O=C(COC(=O)C1CCCC1)Nc1nc(-c2ccc(F)c(F)c2)cs1 32722782 ANAZNAZJLIGCFK-UHFFFAOYSA-N 366.389 3.760 0 40 FHAB Cc1nn(C)c2ncc(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)cc12 32899714 GPFAPMZXSIIFCT-NRFANRHFSA-N 370.456 3.991 0 40 FHAB CCN(C(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1ccccc1 21786183 AUFXTTJMMZUZIK-UHFFFAOYSA-N 350.374 3.780 0 40 FHAB COC(=O)c1ccc(/C=C/c2cccc(NC(=O)C(F)(F)F)c2)nc1 32936537 VNVRAIRPNBMYHG-FNORWQNLSA-N 350.296 3.539 0 40 FHAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc2c1CCCC2 32906546 JQKDPXURFSFQNA-UHFFFAOYSA-N 363.866 3.631 0 40 FHAB Cc1cccc2c(=O)[nH]c(COC(=O)C3(c4ccc(F)cc4)CCC3)nc12 32906244 IGXLIABCHPTIFS-UHFFFAOYSA-N 366.392 3.536 0 40 FHAB CN(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)C1CCCC1 53436576 WRFGSSBDWZSGOQ-MRXNPFEDSA-N 357.479 3.893 0 40 FHAB CCCOc1ccc(CNC(=O)c2ccc3c(O)[nH]c(=S)nc3c2)cc1 53949991 QDGGYDSLRIQDOE-UHFFFAOYSA-N 369.446 3.717 0 40 FHAB O=C(c1ccccc1Cl)N1N=C(C(F)(F)F)C[C@]1(O)c1ccccc1 827438 DVBGAWLJXIVLAB-INIZCTEOSA-N 368.742 3.950 0 40 FHAB CSCC[C@H](Nc1nc(-c2ccccc2)nc2ccccc12)C(=O)O 1745085 ZXIXLVOWWPTBCT-INIZCTEOSA-N 353.447 3.915 0 40 FHAB CC(=O)COc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1 2115853 ZATKHVNPZRWMQC-UHFFFAOYSA-N 362.337 3.534 0 40 FHAB biogenic O=C(Nc1ncc2c(n1)C[C@@H](c1ccco1)CC2=O)c1ccc(Cl)cc1 2393255 XKXHFVMQJWWIPG-GFCCVEGCSA-N 367.792 3.888 0 40 FHAB COc1ccc([C@H]2C[C@@H](c3ccccc3Cl)n3nc(N)nc3N2)cc1 2409190 AUSQOHWKPBLYFN-CVEARBPZSA-N 355.829 3.669 0 40 FHAB O=C(O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)N1CCCCC1 3175649 DDPRLBDMKCWXIA-VFUGHAIPSA-N 361.441 3.607 0 40 FHAB CC[C@@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCc1ccccc1 3895893 CAYDQTWMYYDYFQ-YTQPIUFNSA-N 358.526 3.703 0 40 FHAB CCCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OC1CCCCC1 4113543 HKMONENGJNJRIA-IBGZPJMESA-N 372.465 3.979 0 40 FHAB CCOc1ccc(C(=O)N2CCN=C2SCc2cccc(F)c2)cc1 4119860 WJDHIYNLEMOXEG-UHFFFAOYSA-N 358.438 3.970 0 40 FHAB NC(=O)c1c(NC(=O)c2nc3ccccc3s2)sc2c1CCCCC2 4134723 SNZSYWVITCQKTQ-UHFFFAOYSA-N 371.487 3.978 0 40 FHAB Cc1ccccc1CSc1ncnc2c1nnn2-c1ccc(F)cc1 4166706 GARHMOHOPVSBRU-UHFFFAOYSA-N 351.410 3.950 0 40 FHAB CCCOc1ccc(N2C[C@H](C(=O)Nc3ccc(F)cc3F)CC2=O)cc1 4454449 HBGIQXFCEHKOSK-CYBMUJFWSA-N 374.387 3.745 0 40 FHAB O=C(Nc1cc2c3c(c1)CCN3C(=O)CC2)c1cccc(Br)c1 5153370 VILXESROVLKNOV-UHFFFAOYSA-N 371.234 3.537 0 40 FHAB COc1ccccc1[C@@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1C 5555617 IBSFZFOPLCPYFB-MRXNPFEDSA-N 355.777 3.630 0 40 FHAB COc1cccc(CN(C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)c1 5937399 HQYRLDKEQFAXLC-ZDUSSCGKSA-N 362.857 3.816 0 40 FHAB COc1ccc([C@@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)cc1 6256299 ARYHBKZHNAUSLY-QGZVFWFLSA-N 357.479 3.952 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc(Cl)cc1F 6387557 PBUIVIJFCPCYNN-UHFFFAOYSA-N 351.761 3.708 0 40 FHAB CCCNC(=O)[C@H](C)NC(=O)c1cc(-c2ccccc2)nc2ccccc12 6547069 KNHXTQYBQLGWDX-HNNXBMFYSA-N 361.445 3.546 0 40 FHAB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)N1c2ccccc2C[C@H]1C 6642638 GAMMTBRBKAZCNP-CQSZACIVSA-N 373.836 3.548 0 40 FHAB Cc1ccc(-n2c(C)nnc2SCC(=O)NC2CCCCCC2)cc1 6784327 UEPZDUTWCJCJBD-UHFFFAOYSA-N 358.511 3.815 0 40 FHAB CCOc1ccc(/N=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)cc1 6962231 DJZZWPQMQXWRMK-KEBDBYFISA-N 363.797 3.961 0 40 FHAB C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)N(C)c1ccccc1 7161801 KHJAPLCBHJHMFZ-GFCCVEGCSA-N 374.491 3.887 0 40 FHAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cccs1 7979253 QOZUCJVHVLFPOZ-UHFFFAOYSA-N 361.854 3.690 0 40 FHAB COC(=O)c1cc(NS(=O)(=O)c2c(C)cc(C)cc2C)ccc1Cl 8333643 ICLJFLMZZRYHQS-UHFFFAOYSA-N 367.854 3.853 0 40 FHAB COc1ccc(CCNC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1 8726708 YUNUQJHNODMQNF-UHFFFAOYSA-N 370.449 3.859 0 40 FHAB O=C(CCn1c(=O)oc2ccc(Cl)cc21)Nc1nc2ccccc2s1 8744418 NXGRCCAUOZCOGO-UHFFFAOYSA-N 373.821 3.886 0 40 FHAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CCOc2ccccc2)C1=O 8886466 HUXRAKZXALPKGH-JOCHJYFZSA-N 360.413 3.686 0 40 FHAB CCOc1ccc(NC(=O)[C@H](NC(=O)[C@@H]2CCCC[C@@H]2C)C(C)C)cc1 9195052 UGIPMRSORYECDE-KFKAGJAMSA-N 360.498 3.991 0 40 FHAB Cn1c(SCc2ccc(F)cc2)nnc1-c1ccc2c(c1)OCCO2 9356043 LFIVYMVBNFNLOI-UHFFFAOYSA-N 357.410 3.685 0 40 FHAB O=C1CCc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc2N1 9828282 HLCSJQUMNZZYMZ-UHFFFAOYSA-N 352.415 3.525 0 40 FHAB COc1ccc(C(=O)C2CCN(C(=O)/C=C/c3ccccc3F)CC2)cc1 9983964 HTBZQJIYQXQBHA-DHZHZOJOSA-N 367.420 3.969 0 40 FHAB Cc1cccc(OCCCNC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1 10031832 MMGPUGKFJWGPKZ-AWEZNQCLSA-N 370.474 3.627 0 40 FHAB Cc1cc(C)n2nc(C(=O)NCCCc3ccc(F)cc3)c(Cl)c2n1 12193611 XBSWPBHPWAXVCH-UHFFFAOYSA-N 360.820 3.501 0 40 FHAB CC(=O)N1c2ccc(NC(=O)C[C@@H](C)n3nc(C)c(C)c3C)cc2C[C@H]1C 12204352 GZOQTBMACPZHID-CHWSQXEVSA-N 368.481 3.696 0 40 FHAB COc1cccc(F)c1-c1nc(C)c(C(=O)NCc2cccnc2)s1 12321332 KEPAKWPJCDKQNY-UHFFFAOYSA-N 357.410 3.591 0 40 FHAB COc1ccc2cc(C(=O)NCCCn3cnc4ccccc43)c(C)nc2c1 12491621 ZPGPPZYAZDLHOI-UHFFFAOYSA-N 374.444 3.722 0 40 FHAB CC(C)C(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 12596302 QZPALQHMIFDEMG-GFCCVEGCSA-N 360.845 3.769 0 40 FHAB COC(=O)c1cnc(NC(=O)CCSc2ccc(Cl)cc2)s1 12936319 OZPGFIPYZCXPDE-UHFFFAOYSA-N 356.856 3.704 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1sccc1C(N)=O 12974793 ZQHPINSCJHRMNN-SSDOTTSWSA-N 359.234 3.560 0 40 FHAB CCOC(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1 13612978 ISJLWJCFGPCNPY-UHFFFAOYSA-N 361.463 3.898 0 40 FHAB CC(=O)N1CCc2c([nH]c3ccccc23)[C@@]12C(=O)N(C(C)C)c1ccccc12 13635223 CEUGVTDLAINMHE-QHCPKHFHSA-N 373.456 3.571 0 40 FHAB COc1ccccc1-c1cc(CSc2nnnn2-c2ccccc2)on1 14135820 VWWPSODUSJSJMI-UHFFFAOYSA-N 365.418 3.618 0 40 FHAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1csc(-c2ccccc2)n1 14231571 CAEFQJYBRNFNCD-QGZVFWFLSA-N 367.474 3.970 0 40 FHAB CC[C@@H](C)c1nn2c(=O)c(NC(=O)c3ccccc3Cl)cnc2s1 14291558 VLPDMSXNHJFKLD-SECBINFHSA-N 362.842 3.570 0 40 FHAB Cc1ccc2nc3c(c(C(=O)O[C@@H](C)C(=O)NC(C)(C)C)c2c1)CCCC3 16903927 ZQLUHZBBBGKTPU-AWEZNQCLSA-N 368.477 3.882 0 40 FHAB O=C(COc1ccc(N2CCCC2=O)cc1)Nc1ccc(F)cc1Cl 16960639 VYHNDOAIWYZBFB-UHFFFAOYSA-N 362.788 3.623 0 40 FHAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccco4)[C@@H]3C2=O)c1 18045681 UUGGYUOCROHAJQ-ZCNNSNEGSA-N 374.396 3.639 0 40 FHAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)C4CC4)C3)cc2N1 19451314 CLBWDPZFSBDBOA-KCQAQPDRSA-N 370.419 3.553 0 40 FHAB Cc1cccc(N2CCN(C[C@H](O)c3c(C)[nH]c4ccccc34)CC2)c1C 20444419 OYEQUBUEWXNEPF-QFIPXVFZSA-N 363.505 3.949 0 40 FHAB CC(=O)N[C@H](CC(=O)N(C)[C@H](C)c1ccc(F)cc1)c1ccc(C)cc1 21484222 VHESYTDOCKMJND-FOIQADDNSA-N 356.441 3.921 0 40 FHAB COc1cccc(CN(C)C(=O)CCC(=O)c2ccc(C)s2)c1OC 21914325 LSOBKTQRTBOQQU-UHFFFAOYSA-N 361.463 3.695 0 40 FHAB O=c1c2cnc(N3CCCCC3)nc2ccn1-c1cccc(C(F)(F)F)c1 22608839 HQLQKOLUMDBRDE-UHFFFAOYSA-N 374.366 3.790 0 40 FHAB O=C(COc1ccc(F)cc1F)Nc1ccccc1C(=O)NC1CCCC1 23198256 CTVFNOQTIANUGQ-UHFFFAOYSA-N 374.387 3.655 0 40 FHAB CCc1c(C(=O)Nc2ccc(OC)nc2)cnn1-c1cccc(Cl)c1 24489664 LASFVAPDAGJLNC-UHFFFAOYSA-N 356.813 3.744 0 40 FHAB Cc1cccc(NC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1 24694654 HNWUYWKJGFNAJH-UHFFFAOYSA-N 355.413 3.560 0 40 FHAB COc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccccc2F)cc1C 27740799 JIHODGQYKTVAJR-LBPRGKRZSA-N 371.368 3.599 0 40 FHAB O=C([C@H]1C[C@H]1c1ccccc1)N1CCN(Cc2c(F)cccc2Cl)CC1 27931324 QEOIKPMNXGVBLM-IRXDYDNUSA-N 372.871 3.927 0 40 FHAB CCCCCC(=O)Nc1ccc(C(=O)CSc2nc(C)cc(N)n2)cc1 28616813 YSWDDKWHBPPPMZ-UHFFFAOYSA-N 372.494 3.861 0 40 FHAB CC(C)Oc1cccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)c1 30862770 ZFUOPVYEDRNQQG-UHFFFAOYSA-N 352.434 3.849 0 40 FHAB O=C(NCc1ccc(-n2ccnc2)nc1)c1ccc(-c2ccc(F)cc2)o1 31556359 VYMJVXHHBJHRDO-UHFFFAOYSA-N 362.364 3.596 0 40 FHAB Cc1ccc(SCC(=O)NCc2cccc(CN3CCCC3)c2)cc1 32462803 RZRGENBBXKWHLD-UHFFFAOYSA-N 354.519 3.999 0 40 FHAB COc1ccc(CC(=O)NCc2ccccc2CN2CCC[C@@H](C)C2)cc1 36396105 IHCMSLVZHLKVMD-GOSISDBHSA-N 366.505 3.786 0 40 FHAB CN(C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)[C@@H]1CCc2ccccc21 40158640 HBOSCECEORKEFN-CQSZACIVSA-N 351.328 3.545 0 40 FHAB CCN(C(=O)CCn1cnc2c(C)cccc2c1=O)c1ccc(C)cc1C 45511028 GKZWDMYYOSFJGA-UHFFFAOYSA-N 363.461 3.765 0 40 FHAB CC(C)CNC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F 46079035 BTQIPUZBSRVBBF-UHFFFAOYSA-N 354.425 3.805 0 40 FHAB O=C(NCc1cccc(N2CCOC2=O)c1)Nc1nc2ccccc2s1 47270358 HTTROTDGFZYLDB-UHFFFAOYSA-N 368.418 3.575 0 40 FHAB Cc1nn(C(C)C)c(C)c1NC(=O)Nc1ccccc1Cn1cccn1 48310917 APAAPADNAMQYNL-UHFFFAOYSA-N 352.442 3.970 0 40 FHAB Cn1ncc2c1NC(=O)C[C@@H]2c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 49548068 ZARDZPYPQRCEAV-JTQLQIEISA-N 371.780 3.506 0 40 FHAB COc1ccc(CCCNC(=O)N[C@@H](C)c2cccc(NC(C)=O)c2)cc1 56489095 DHXGHODFFZJBFY-HNNXBMFYSA-N 369.465 3.647 0 40 FHAB CCc1cc(=O)n(CC(=O)Nc2cc(C)ccc2C)c(-c2ccccc2)n1 57527267 JYLWYURBYYBPLG-UHFFFAOYSA-N 361.445 3.728 0 40 FHAB CC(C)[C@H](C(=O)N[C@H](C)c1ccc(F)cc1)n1nnc(-c2ccccc2)n1 58009083 QRUWLQFKHAVNPF-RDTXWAMCSA-N 367.428 3.554 0 40 FHAB C[C@H](Sc1nc2ccccc2[nH]1)c1nc(N)nc(Nc2ccccc2)n1 58450313 CVKVPVLOFMZVRW-NSHDSACASA-N 363.450 3.927 0 40 FHAB CCN(CC)c1ccc(C(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)c(O)c1 63109936 VIPWRLDGFUBSPT-KKSFZXQISA-N 368.477 3.841 0 40 FHAB C[C@@H](NC(=O)c1csc(-c2ncccn2)n1)C12CC3CC(CC(C3)C1)C2 65591155 ZDILCXAILZPKSC-JSFDKUKPSA-N 368.506 3.935 0 40 FHAB Cc1ccc(Cn2c(=O)n(-c3ccccc3F)c(=O)c3sccc32)cc1 67258192 RYMNFPUVHYSKEO-UHFFFAOYSA-N 366.417 3.710 0 40 FHAB O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1nc2c(s1)C(=O)CCC2 68002444 LSBGRWALARIOOX-UHFFFAOYSA-N 359.838 3.978 0 40 FHAB C[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)s1)c1nnc2n1CCC2 71846609 NBQMLIZPRZQKAS-LLVKDONJSA-N 356.426 3.583 0 40 FHAB CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2cccc(Br)n2)C1 72203633 ZWTKROMSKPIPCC-LBPRGKRZSA-N 370.291 3.680 0 40 FHAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccc2F)C1)C1CC1 72398549 YKWLJDCNBGOAHX-NQIIRXRSSA-N 367.468 3.700 0 40 FHAB Cc1ccc([C@H]2C[C@@H]2C(=O)OCc2nnc(-c3ccccc3)n2C)s1 89656450 IRLFSGDKIFRMPF-GJZGRUSLSA-N 353.447 3.699 0 40 FHAB Cc1c([C@@H]2SCC(O)=Nc3ncn(-c4ccc(Cl)cc4)c32)cnn1C 95479935 MNFSAHYXONVLFG-INIZCTEOSA-N 373.869 3.992 0 40 FHAB Cc1ccc(-c2noc(CNC(=O)CSCc3ccc(F)cc3)n2)cc1 95482310 YMNIQXWSTWZTAC-UHFFFAOYSA-N 371.437 3.734 0 40 FHAB CC(C)(C)OC(=O)N(CCc1ccccc1)C[C@H](O)c1ccc(N)cc1 95829954 AZGARKDKPWEIFE-IBGZPJMESA-N 356.466 3.782 0 40 FHAB in-vitro N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(C(=O)O)cc1 96663353 AEKOKBOVPJNLHH-LCYFTJDESA-N 358.300 3.532 0 40 FHAB COc1ccccc1-c1cc(C(=O)N(C)CCn2ccc3ccccc32)[nH]n1 97117659 VWPKMXNSUCXBFM-UHFFFAOYSA-N 374.444 3.812 0 40 FHAB CCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2c(C)ccc(OC)c21 100908772 GJOXSKZUAAGTKP-MRCUWXFGSA-N 368.458 3.983 0 40 FHAB C[C@@H](NC(=O)CCCNC(=O)c1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@H]1C2 103360778 HUZDMXGSUNCYNT-YQYZPQCESA-N 362.901 3.791 0 40 FHAB C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C)C[C@H]1c1ccccc1 105766142 SFCJVNYNTUTFHK-KXBFYZLASA-N 358.869 3.623 0 40 FHAB Brc1ccc(OC[C@@H]2CN(Cc3ccccc3)CCO2)cc1 217499461 YLRRTWMAQYUBLA-SFHVURJKSA-N 362.267 3.729 0 40 FHAB COc1ccc(-c2c(N)c(=O)n(-c3ccc(Cl)cc3Cl)n2C)cc1 222553444 RSLATLALQBXKPG-UHFFFAOYSA-N 364.232 3.741 0 40 FHAB COc1ccc(S(=O)(=O)NCCSc2ccc(C)cc2)c(C)c1C 223614392 RHUFORBYQZOJSS-UHFFFAOYSA-N 365.520 3.691 0 40 FHAB CC[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(OC)c(C)c1 223928098 XKIABCRSIBEORL-MRXNPFEDSA-N 373.449 3.911 0 40 FHAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCc1ccccc1 224256908 ZOPYOOQKECIHIM-PGMHBOJBSA-N 374.440 3.718 0 40 FHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(N2CCOCC2)cc1 225005353 ITUHZLVDSOZAOJ-FQEVSTJZSA-N 368.477 3.936 0 40 FHAB COC(=O)c1cc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)ccc1OC(C)C 225807475 PYIHUXVPIXCAJZ-VLIAUNLRSA-N 363.454 3.794 0 40 FHAB C[C@H]1CCCCN1c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1N 226262459 TVJXBRFDVHPTDG-VIFPVBQESA-N 350.677 3.956 0 40 FHAB Cc1ccc(N(CC(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)c(C)c1 243697961 PKXLYILMIWBLIR-UHFFFAOYSA-N 374.506 3.832 0 40 FHAB Cc1ccc(CN2CC3(C[C@@H](OCc4csc(C)n4)CCO3)C2)s1 248123305 WBHAMCOGFSNTEO-INIZCTEOSA-N 364.536 3.772 0 40 FHAB Cn1c(C(=O)N2CCC(C)(c3nccs3)CC2)cc2cc(F)ccc21 257209775 BRVSQSUUJJMACN-UHFFFAOYSA-N 357.454 3.968 0 40 FHAB Cc1cccnc1Nc1cc([C@H]2CCCN(Cc3cn(C)cn3)C2)ccn1 257267962 MJSCVEIORYBXLQ-SFHVURJKSA-N 362.481 3.642 0 40 FHAB COc1cc(OC)cc(C(=O)Oc2ccc(-c3ccc(C)c(C)c3)nn2)c1 408532474 YWIBLCGGBPLBQN-UHFFFAOYSA-N 364.401 3.997 0 40 FHAB Cc1c(Cl)cccc1N1C[C@H](C(=O)NC[C@@H](C)c2ccccc2)CC1=O 408709295 ZCXIMBLSOOOKHH-RHSMWYFYSA-N 370.880 3.921 0 40 FHAB Cc1c(F)cccc1NC(=O)[C@H]1CSCN1C(=O)OCc1ccccc1 408737278 NCDOBGHPNIKNPQ-QGZVFWFLSA-N 374.437 3.784 0 40 FHAB O=C1OC(c2ccccc2)=N/C1=C/c1ccccc1OC(=O)c1ccco1 408843598 MKIXTJBCNHIKKC-DTQAZKPQSA-N 359.337 3.843 0 40 FHAB CCOc1ccc2ccc(OCC)c(/C=C3\NC(=S)N(CC)C3=O)c2c1 409007135 OIVHSRURTSEVEO-ATVHPVEESA-N 370.474 3.715 0 40 FHAB O=C(O)COc1ccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1 409097753 HFXJMSPGJCYPLK-AUWJEWJLSA-N 363.291 3.662 0 40 FHAB O=C(c1cccc2nc(O)[nH]c12)N1CC2(CCCC2)c2c(F)cccc21 578246547 VJYAKRCVRVNOOB-UHFFFAOYSA-N 351.381 3.880 0 40 FHAB Cn1cccc1C(=O)N1CCCC[C@H]1c1nnc(-c2ccccc2F)o1 583622111 PDDJGDQCULMSGV-HNNXBMFYSA-N 354.385 3.582 0 40 FHAB O=C(c1ccccc1F)N1Cc2cccn2C[C@@H](CCOCC2CC2)C1 585095423 QKEICUPMJAPAPC-QGZVFWFLSA-N 356.441 3.716 0 40 FHAB Cc1ccc(C(=O)N2CCC[C@@]3(CCN3Cc3c(C)noc3C)C2)c(C)c1 585102120 SKPDIKFNDCYGDW-JOCHJYFZSA-N 367.493 3.789 0 40 FHAB CC(C)(C)n1nnc(CN[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)n1 623755963 NWVSUFICQVHETM-OAHLLOKOSA-N 358.877 3.730 0 40 FHAB Cc1nc([C@@H]2CCOC2)sc1C(=O)Nc1ccc2oc(C(=O)O)cc2c1 630169155 BLPBTLIPJMDCOQ-SNVBAGLBSA-N 372.402 3.652 0 40 FHAB CC(=O)N1CCCN(Cc2ccccc2)CCNCc2cc(Cl)ccc21 643589149 OQJGBDHEIJDBSQ-UHFFFAOYSA-N 371.912 3.688 0 40 FHAB Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CNC(=O)c1ccc2c(c1)CCC=C2 665648851 XRUPEUWIFNRPOB-PZJWPPBQSA-N 365.477 3.504 0 40 FHAB COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1cc(-c2ccc(C)o2)[nH]n1 1138093065 HEONFFGVBPTAOK-HNNXBMFYSA-N 365.433 3.837 0 40 FHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1nc(C)n(-c2ccccc2)n1 1544046000 VDWNVGLTPRGPIB-KRWDZBQOSA-N 350.422 3.680 0 40 FHAB C[C@@H]1CN(C(=O)c2nc(-c3ccccc3)n3c2COCC3)[C@H]2CCCC[C@@H]12 1553235104 DICMFQAIXWORHD-NJAFHUGGSA-N 365.477 3.731 0 40 FHAB CCCn1c(=O)c2sccc2n(Cc2ccccc2C(F)(F)F)c1=O 1565523816 XMIKYEXNYHNICJ-UHFFFAOYSA-N 368.380 3.702 0 40 FHAB C=CC(=O)Nc1ccc(C(=O)NCC2(c3ccccc3OC)CCC2)cc1 1567395280 YSHDUMUMAYSXEL-UHFFFAOYSA-N 364.445 3.671 0 40 FHAB O=C(Nc1c(O)n[nH]c1-c1ccccc1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 1636373066 WRNGBJJTIXODAK-NEPJUHHUSA-N 373.334 3.942 0 40 FHAB COc1ccc(Br)c(C(=O)NCC2(c3ccsc3)CC2)c1 1888920822 VKQHFZRWUFPIIS-UHFFFAOYSA-N 366.280 3.981 0 40 FHAB COc1ccc([C@@H]2NC(=O)CN2Cc2ccc(-c3ccccc3)cc2)cc1O 95376599 PVZMYAUOLHFBKE-HSZRJFAPSA-N 374.440 3.698 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)c(C)c1 862434 DAWHWLJTFWRWLL-UHFFFAOYSA-N 363.446 3.854 0 40 FHAB CCOC(=O)c1ccc(NC(=O)Oc2cc(=O)oc3ccccc23)cc1 1753036 AYOCUJAQEITLEN-UHFFFAOYSA-N 353.330 3.581 0 40 FHAB COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(C)nc2)c1 23447566 HFVBDBCMKHQEJS-UHFFFAOYSA-N 361.401 3.903 0 40 FHAB COc1ccc2oc(C(=O)OCC(=O)N[C@H](C)c3ccccc3)c(C)c2c1 4524981 SERVZJHLPNZBOK-CQSZACIVSA-N 367.401 3.784 0 40 FHAB CC[C@@H](C)Oc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 6554869 IQWCYNJWKWCRHP-LLVKDONJSA-N 358.463 3.765 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCC3=O)cc2)c(C)c1 12563185 FUNXSANQDCTJGW-MRXNPFEDSA-N 351.450 3.869 0 40 FHAB CCCc1noc(CSc2nc(-c3cc(Cl)ccc3OC)n[nH]2)n1 24987353 SSQPEGZMAPPOQN-UHFFFAOYSA-N 365.846 3.762 0 40 FHAB Cc1cccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccco2)c1C 8473649 PQKZMGZIJCJNJT-UHFFFAOYSA-N 374.396 3.797 0 40 FHAB Cc1cccc(Oc2ncccc2NC(=O)c2cnn3cccnc23)c1C 55828234 ZHGCODKJTZDNGF-UHFFFAOYSA-N 359.389 3.786 0 40 FHAB CC(C)(CNC(=O)Cc1c[nH]c2ccccc12)N1CCc2ccccc2C1 25460951 OMATVFJRYPYUNW-UHFFFAOYSA-N 361.489 3.664 0 40 FHAB C[C@@]1(c2ccccc2Cl)NC(=O)N(Cc2nc3ccccc3s2)C1=O 3274433 ZWTQBOVMZNBVOD-SFHVURJKSA-N 371.849 3.917 0 40 FHAB O=C(C[C@H](Cc1ccc(Br)cc1)C(=O)O)Nc1ccccc1 35142357 YMSPKLWTBCEEGU-ZDUSSCGKSA-N 362.223 3.721 0 40 FHAB CC[C@@H](NC(=O)c1c(Br)cnn1CC)c1ccc(C)cc1 28237069 VHIKNAZOFOYIKF-CQSZACIVSA-N 350.260 3.855 0 40 FHAB NS(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc(-c2ccccc2)cc1 27550660 ARGBGLXPVHNRKT-UHFFFAOYSA-N 364.470 3.564 0 40 FHAB Cc1cccc(S(=O)(=O)Nc2ccccc2OCc2cscn2)c1 58162569 HMYGFGGGIFOFQC-UHFFFAOYSA-N 360.460 3.831 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)COc2ccccc2F)cc1OC 48286153 JVJKLQFTOAFDIY-MRXNPFEDSA-N 359.397 3.585 0 40 FHAB COC(=O)[C@@H](NC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)C(C)C 100970312 WPORGYYEHRWUMG-BTOYLZDOSA-N 369.505 3.838 0 40 FHAB O=S(=O)(N[C@@H]1CCSc2ccc(F)cc21)c1cc(F)cc(F)c1 10517970 LUSSSMFSURGIHK-CQSZACIVSA-N 359.394 3.619 0 40 FHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccccc1O 10633652 IRDBMTPKXCJHTK-UHFFFAOYSA-N 360.417 3.776 0 40 FHAB CCn1c(NC(=O)c2ccc(OC(F)F)c(OC)c2)nc2ccccc21 10650913 CGIQEMCJIZFQSL-UHFFFAOYSA-N 361.348 3.919 0 40 FHAB CCn1c(SCC(=O)N(C)c2ccccc2)nnc1-c1cccs1 3321876 RJVWLPJSURTBJX-UHFFFAOYSA-N 358.492 3.782 0 40 FHAB COc1cccc(/C=C/C(=O)OCC(=O)c2ccc(C)c(C)c2)c1OC 3314149 BOXLISZXTCSZDJ-ZHACJKMWSA-N 354.402 3.760 0 40 FHAB Cc1ccc(S(=O)(=O)n2ncc3c2N(c2c(C)cccc2C)CC3)cc1 2269830 YMWBDOLSCWSJKG-UHFFFAOYSA-N 367.474 3.740 0 40 FHAB CC(=O)c1ccc(NC(=S)NC[C@H](c2ccco2)N2CCCC2)cc1 3330113 HSQLSPXKFVHSIA-QGZVFWFLSA-N 357.479 3.606 0 40 FHAB COc1ccc2c(c1)CCCN2C(=O)c1cccnc1OCC(F)(F)F 45341447 GHDGKGHJVSPEMB-UHFFFAOYSA-N 366.339 3.624 0 40 FHAB CCCOc1ccc([C@H](C)NC(=O)[C@@H]2COc3ccccc3C2)cc1OC 48355542 FPHAEALYYUQRBR-YJBOKZPZSA-N 369.461 3.913 0 40 FHAB Fc1cccc(-c2nn3c([C@@H]4COc5ccccc5O4)nnc3s2)c1 2354433 CHKVBIGSGPUKQQ-AWEZNQCLSA-N 354.366 3.504 0 40 FHAB Cc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1-n1cnnn1 58894614 MJTKIEQQXHHKFV-LBPRGKRZSA-N 356.817 3.507 0 40 FHAB CCCn1ncc(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccccc2F)C3)c1C 100765523 GTRXGQLSHLSBRV-QZTJIDSGSA-N 357.473 3.755 0 40 FHAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1cccc(C(=O)NC2CC2)c1 12812640 PSWRBMOBNLAQDO-UHFFFAOYSA-N 361.401 3.795 0 40 FHAB C[C@@H]1Oc2ccc(-c3csc(NC(=O)c4ccccc4)n3)cc2NC1=O 11904346 QCANPZSPSQOABM-NSHDSACASA-N 365.414 3.782 0 40 FHAB CCCCn1c(SC(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21 12045852 HRGPDYQKRWCSFU-UHFFFAOYSA-N 355.529 3.587 0 40 FHAB Cc1ccc(NC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)c(Cl)c1 12913813 XZJRSXWWMHLQOZ-CYBMUJFWSA-N 358.825 3.791 0 40 FHAB COC(=O)C[C@H](NC(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 12937422 IVPMZQBDVOQFLY-INIZCTEOSA-N 366.244 3.957 0 40 FHAB CCc1cccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)c1 13002322 IPVBRNWZCIRBNP-UHFFFAOYSA-N 367.474 3.607 0 40 FHAB C[C@H](c1ccc2ccccc2c1)N(C(=O)C1CCN(C(N)=O)CC1)C1CC1 64313336 QRZBMVUATQPUFQ-OAHLLOKOSA-N 365.477 3.683 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3cc(F)c(F)c(F)c3)n(C)n2)cc1 72404826 KKXGPDVHKVSYCE-UHFFFAOYSA-N 361.323 3.765 0 40 FHAB Cc1cccc(-c2nn3c([C@@H]4COc5ccccc5O4)nnc3s2)c1 4384004 JARBIWTVYZQCHZ-HNNXBMFYSA-N 350.403 3.674 0 40 FHAB CCOc1ccccc1NC(=O)c1nnn(-c2cccc(Cl)c2)c1C 4393769 SLKYXJRXEFQHBV-UHFFFAOYSA-N 356.813 3.880 0 40 FHAB CC(=O)NCCc1ccc(-c2csc(NC(=O)C[C@@H]3C=CCC3)n2)cc1 13987874 YROWHSDJRAZSES-MRXNPFEDSA-N 369.490 3.784 0 40 FHAB CCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1 5262299 SZONOKIRKMVZNS-UHFFFAOYSA-N 358.232 3.951 0 40 FHAB Cc1cc(C)c(NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)c(C)c1 14094876 IBJFVFVZGODPKG-UHFFFAOYSA-N 351.855 3.921 0 40 FHAB CCCC[C@@H](CC)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 4547879 JXENVZUAVATLRL-OAHLLOKOSA-N 352.500 3.626 0 40 FHAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2csc3c2CCCC3)c1 6582527 BKGYCQPKCVPDRB-UHFFFAOYSA-N 369.895 3.936 0 40 FHAB O=C(COCC(=O)N(c1ccccc1)c1ccccc1)NC1CCCCC1 4739536 NNDSNJKBNPWCDR-UHFFFAOYSA-N 366.461 3.817 0 40 FHAB O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccc(F)c(F)c1 66802935 GXJDMHCECDPWFP-UHFFFAOYSA-N 354.360 3.812 0 40 FHAB Cc1ccccc1-c1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1C 5861293 DEWCOSXEDOFXOV-OAHLLOKOSA-N 366.490 3.760 0 40 FHAB CC[C@H](COc1cccc(C)c1)NC(=O)c1cc(OC)c(OC)c(OC)c1 80344782 RDNAWSSSHUMVMI-MRXNPFEDSA-N 373.449 3.608 0 40 FHAB Cc1cccc(N2N=C([N+](=O)[O-])[C@@H](c3ccco3)N[C@H]2c2ccco2)c1 19805168 IDBLEEIPVIDKIW-IAGOWNOFSA-N 352.350 3.621 0 40 FHAB Cc1cccc(C)c1OCC(=O)NC[C@H](c1ccco1)N1CCCCC1 15860031 DSSZYNYPKLXKOS-GOSISDBHSA-N 356.466 3.619 0 40 FHAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2sc(C)nc2-c2ccccc2)no1 7521301 MMDSQEHISMVDSM-NSHDSACASA-N 371.418 3.599 0 40 FHAB COC(=O)[C@@H](CCSC)NC(=O)Nc1ccc(Oc2ccccc2)cc1 15999096 YYQPAKBSJDEBDL-QGZVFWFLSA-N 374.462 3.895 0 40 FHAB Cc1cc(C)c(OCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)c(C)c1 7831272 BOZYXEVFFNJNSR-UHFFFAOYSA-N 363.461 3.835 0 40 FHAB COc1ccc(-c2noc(CSc3nc4ccc(OC)cc4[nH]3)n2)cc1 7901441 YLJHYTAMQWOZMW-UHFFFAOYSA-N 368.418 3.922 0 40 FHAB NC(=O)N[C@H](CC(=O)N[C@@H]1CCCc2ccccc21)c1ccc(Cl)cc1 8076548 IHXMXAQEEFDECF-QZTJIDSGSA-N 371.868 3.633 0 40 FHAB Cc1cc(C)c([C@@H](C)NC(=O)CNCCOc2ccccc2F)cc1C 16695489 LXXVMOBCOLCWSO-QGZVFWFLSA-N 358.457 3.597 0 40 FHAB CC(=O)N1N=C(c2ccsc2)C[C@@H]1c1cn(-c2ccccc2)nc1C 69374861 IDCVDRIZMJFIAK-LJQANCHMSA-N 350.447 3.940 0 40 FHAB CC1=Nc2c(c(O)nn2C2CCOCC2)[C@@H](c2ccc(C(=O)O)cc2)S1 95477143 DGLMQRIHKNGYDW-OAHLLOKOSA-N 373.434 3.525 0 40 FHAB CC(C)COC[C@@H](O)CNC1CCC(O)(c2ccc(C(C)C)cc2)CC1 95454546 KDJPGGLNUZZXNV-ORFBVSJDSA-N 363.542 3.563 0 40 FHAB CCOc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccncc3)o2)cc1 9722485 BXDAPDYJCYCFFK-LBPRGKRZSA-N 355.419 3.894 0 40 FHAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3cccs3)nc2C)no1 9883579 XYKVCHZEYKFIHW-LBPRGKRZSA-N 371.418 3.599 0 40 FHAB COc1ccc(CC(=O)Sc2nnc(-c3ccccc3OC)o2)cc1 408618485 CXZPZKWDYNLFRB-UHFFFAOYSA-N 356.403 3.615 0 40 FHAB CC(C)(C)OC(=O)N1CC([C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 95698617 DXIUEVCSPZDMNJ-MRXNPFEDSA-N 360.454 3.512 0 40 FHAB in-vitro CC(C)CCNC(=O)[C@@H](C)Sc1nc(O)c2ccc(Cl)cc2n1 74784183 PFGNIJPXXRSNIV-SNVBAGLBSA-N 353.875 3.632 0 40 FHAB COC(=O)c1c(C(=O)OC)c(-c2ccccc2)n(-c2ccccc2)c1F 408734530 YECJAGXCHBLETQ-UHFFFAOYSA-N 353.349 3.857 0 40 FHAB COC(=O)c1cc(OCc2cccc(F)c2)c2cc(OC)c(OC)cc2n1 65033503 VMLYNZUFCBVSPM-UHFFFAOYSA-N 371.364 3.757 0 40 FHAB CCc1nn2c(C)c(C(=O)Nc3ccccc3)nnc2c1-c1ccccc1 20633676 VPEWDWLCIBNDJU-UHFFFAOYSA-N 357.417 3.914 0 40 FHAB CC(C)COc1ccc(C(=O)NC(=S)Nc2cccnc2Cl)cc1 21595848 ZVTPQJOAJNPFRQ-UHFFFAOYSA-N 363.870 3.897 0 40 FHAB COC(=O)c1c(NC(=O)[C@H]2CCCO2)sc(C)c1-c1ccc(F)cc1 28284582 AVPURTUHITWBQN-CYBMUJFWSA-N 363.410 3.767 0 40 FHAB COc1cccc(-c2nc(CC(=O)Nc3nnc(C4CC4)s3)cs2)c1 36367172 GUBGYHDFDSQMME-UHFFFAOYSA-N 372.475 3.729 0 40 FHAB CCc1oc2ccccc2c1CC(=O)Nc1cnn([C@@H]2CCOC2)c1C 529460495 OTLLCZZMYFUWPL-CQSZACIVSA-N 353.422 3.643 0 40 FHAB Cc1c(Br)ccc(NC(=O)COC(=O)c2ccccc2)c1C 409196194 NUHZGLRXFYXGJG-UHFFFAOYSA-N 362.223 3.861 0 40 FHAB CSc1nc(Cl)cc(OC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 72203149 BIWPMBZSRQXUHR-NSHDSACASA-N 373.906 3.878 0 40 FHAB O=C(O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1F 30321086 LPCSYHJPLLVQJW-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB COc1ccc(Cl)cc1NC(=O)c1n[nH]nc1Nc1ccc(F)cc1 38487156 TUQUNZROOPLWPA-UHFFFAOYSA-N 361.764 3.602 0 40 FHAB CC(C)c1ccccc1NC(=O)CCCN(C)S(=O)(=O)c1ccccc1 219716088 DBEHXHXGPPREEC-UHFFFAOYSA-N 374.506 3.849 0 40 FHAB CCOC(=O)[C@H]1CC(=O)N(c2ccccc2-c2nc3ccccc3s2)C1 45886915 HFOWFSPWAGZYMR-ZDUSSCGKSA-N 366.442 3.879 0 40 FHAB O=C(NCc1cccnc1-c1cccs1)c1cccc(-n2cccn2)c1 225761922 RFQYSASAWRYPLI-UHFFFAOYSA-N 360.442 3.926 0 40 FHAB C[C@@H]1CN(CCOc2ccc(C(=O)O)cc2Cl)Cc2ccccc2O1 568664139 KAPSNFUZEYGQKI-CYBMUJFWSA-N 361.825 3.700 0 40 FHAB COc1ccc(NC(=O)C(C)(C)Sc2ccccc2)cc1C(=O)N(C)C 225960148 FSZVSPGYRFUUGH-UHFFFAOYSA-N 372.490 3.906 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSc1ccccc1 223548732 YANJQJLLUIBJAS-QGZVFWFLSA-N 370.518 3.641 0 40 FHAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1ccc2c(c1)OCCO2 225795633 YKXPUIQDLUNLRK-UHFFFAOYSA-N 365.364 3.615 0 40 FHAB Cc1ccc(OCCNC(=O)c2ccc(CN3CCCC3)cc2)c(C)c1 224094751 DUWCBYGBJMMRMH-UHFFFAOYSA-N 352.478 3.708 0 40 FHAB COCCOc1ccc(C(=O)NCc2cncc(-c3cccs3)c2)cc1 225665409 YZQBXUCOLZXGKV-UHFFFAOYSA-N 368.458 3.765 0 40 FHAB CCc1ccccc1O[C@H](C)C(=O)NCc1cccc(CN2CCCC2)c1 224623415 URUSGOUVUOIWNL-GOSISDBHSA-N 366.505 3.929 0 40 FHAB O=C(NCc1cccnc1-c1cccs1)c1cc2ccccc2oc1=O 225759809 KGYBXDPHNMRMOP-UHFFFAOYSA-N 362.410 3.847 0 40 FHAB CCc1cccc(NC(=O)N2CCCn3cnc(CN(C)C(C)C)c3C2)c1 96259257 KDAJDSMDKONIFU-UHFFFAOYSA-N 369.513 3.724 0 40 FHAB Cc1ccc(C(=O)N2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)cc1 243215891 KHUCKLNYSOBKFD-KRWDZBQOSA-N 350.462 3.725 0 40 FHAB CCCc1ncc(CN2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@H]3C2)cn1 248148456 AOMHEQYOLXBIKC-RBDMOPTHSA-N 369.484 3.688 0 40 FHAB O=C(c1ccc2ncccc2c1)N1CCCC[C@@H]1c1ccn2nccc2n1 257316012 VDTCOQJFIFSLLP-LJQANCHMSA-N 357.417 3.645 0 40 FHAB Cn1cc(CCC(=O)N2CCCCC[C@@H]3NCC[C@@]32C)c2ccccc21 257202448 ALUWQPLTQASQIL-UNMCSNQZSA-N 353.510 3.634 0 40 FHAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@]2(O)CCC(=O)O 252445503 QIZQZYDEIVNNAA-LBCMOLISSA-N 362.510 3.906 0 40 FHAB O=C(c1ncccn1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257279363 OGGFSQGSQXLKBW-KRWDZBQOSA-N 366.396 3.562 0 40 FHAB CC[C@@H]1CCCCN1CCCNC(=O)[C@H](C)Sc1ccc(OC)cc1 260449421 SRPCWYIPCBTALJ-DLBZAZTESA-N 364.555 3.947 0 40 FHAB C[C@@H](c1nc(COc2ccc(F)cc2)no1)n1ccc(C(F)(F)F)n1 632035602 WXZBMQLBHWRAIF-VIFPVBQESA-N 356.279 3.612 0 40 FHAB O=C(O)c1ccc(OCCN2CCC[C@@H]([C@H]3CCCCO3)C2)c(Cl)c1 656767573 HHVWXBKHEIMCGF-NVXWUHKLSA-N 367.873 3.698 0 40 FHAB Cc1ccc(CN2CCC(Oc3ncc(Br)cn3)CC2)cc1 1204171822 QXJFXTUBIUOFHC-UHFFFAOYSA-N 362.271 3.591 0 40 FHAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)N[C@H](C)c1ccccc1 5539146 NAPWUWAKODMNFX-CQSZACIVSA-N 364.401 3.684 0 40 FHAB CC[C@@H](CN1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 12362898 LTPYSCWDHASMKS-SFHVURJKSA-N 371.550 3.960 0 40 FHAB O=C(CCNC(=O)c1cc2ccccc2[nH]1)Nc1nc2ccccc2s1 13690082 ZRTAOCBNSXQKSQ-UHFFFAOYSA-N 364.430 3.536 0 40 FHAB CCCC1=C(C(=O)OCC)[C@@H](c2cccc(Cl)c2)n2nc(C)nc2N1 14163384 RYUSUZADBVLPCV-MRXNPFEDSA-N 360.845 3.872 0 40 FHAB COc1ccc(-n2nnc(C(=O)OCc3ccccc3)c2C)cc1Cl 16991751 PGHXVCXIAWZYSY-UHFFFAOYSA-N 357.797 3.595 0 40 FHAB Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2cccc(Cl)c2)on1 19120024 WHIZPPXDARZCLI-MRXNPFEDSA-N 370.840 3.689 0 40 FHAB c1cncc(-c2noc([C@H]3CCN(Cc4cccc5cccnc45)C3)n2)c1 19347293 ULWWSJOIHUAKPE-SFHVURJKSA-N 357.417 3.669 0 40 FHAB O=c1cc([C@@H]2CCCCN2Cc2cccc(F)c2)nc(-c2ccccn2)[nH]1 19402752 IGSJAZYADOWPOR-IBGZPJMESA-N 364.424 3.698 0 40 FHAB CCc1nccn1C[C@H](C)C(=O)Nc1ncc(Cc2ccccc2F)s1 19523602 CXGNNXJDUUECJS-ZDUSSCGKSA-N 372.469 3.907 0 40 FHAB CC(=O)Oc1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cc1 6296326 PNFLMTHCYLIXMC-GZTJUZNOSA-N 353.399 3.848 0 40 FHAB Cc1ocnc1CNC(=O)N1CCC(CCc2ccc(F)cc2F)CC1 654518437 UVBCWAGFAPLMBW-UHFFFAOYSA-N 363.408 3.816 0 40 FHAB O=C(Nc1ccccc1Cn1cccn1)c1ccc(Br)cc1 36398339 REODMUBMRXIIDR-UHFFFAOYSA-N 356.223 3.946 0 40 FHAB Cc1ccsc1C(=O)OCC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 5110331 HSXWIUYAOSDVMI-IVKJLDKCSA-N 361.507 3.934 0 40 FHAB Cc1ccc(C)c(CN2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c1 1889128361 YUGRSOVNPQHXFA-UHFFFAOYSA-N 350.453 3.773 0 40 FHAB CC(C)n1nccc1NC(=O)CSc1nc(/C=C/c2cccs2)n[nH]1 14809580 XFWVPBNMWVHKNW-AATRIKPKSA-N 374.495 3.545 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)Nc2cc3c4c(c2)[C@@H](C)C(=O)N4CCC3)c1 5153789 UMPMWFFKONOJLJ-CQSZACIVSA-N 370.474 3.501 0 40 FHAB O=c1oc2ccc(Cl)cc2cc1-c1nc(-c2ccc3c(c2)OCO3)no1 6867980 CZNMAJOPGUOPEQ-UHFFFAOYSA-N 368.732 3.892 0 40 FHAB CC(C)(C)NC(=O)N1CCC(COc2cccc(C(F)(F)F)n2)CC1 1775968283 XGVMBRFCUVKMII-UHFFFAOYSA-N 359.392 3.699 0 40 FHAB CCOC(=O)c1c(NCc2ccccc2)c2cccc(Cl)c2[nH]c1=O 49001489 CVRBNGKFGHUREB-UHFFFAOYSA-N 356.809 3.970 0 40 FHAB CCOC(=O)c1sc(NC(=O)c2cc(C)no2)nc1-c1ccccc1 12422389 BSFMDSMJRPUUDE-UHFFFAOYSA-N 357.391 3.536 0 40 FHAB Cc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)C(C)C)cc3)nn2)n1 13009796 MSVQYJYCMXYEGI-UHFFFAOYSA-N 350.426 3.617 0 40 FHAB CCc1nc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)sc1C 40118921 PDVPQWZQFWCAPT-UHFFFAOYSA-N 360.414 3.774 0 40 FHAB Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)n1 20531125 JGEAMJDBUCOKJH-HXUWFJFHSA-N 371.440 3.596 0 40 FHAB O=C(NCc1cccs1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O 20531048 DDLJCTBSXJGSQA-LJQANCHMSA-N 362.454 3.762 0 40 FHAB COC(=O)c1cnc(NC(=O)C2c3ccccc3Oc3ccccc32)s1 32493796 FUAYXTGADVWCRH-UHFFFAOYSA-N 366.398 3.806 0 40 FHAB CSc1ncc(Cl)c(C(=O)N(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)n1 32970340 OMRUTJFRRVEWER-GXSJLCMTSA-N 351.859 3.841 0 40 FHAB O=C(COc1ccccc1)NCc1cccnc1Oc1cccc(F)c1 32924737 RNHHEWATCBGPJU-UHFFFAOYSA-N 352.365 3.708 0 40 FHAB NC(=O)CSc1nnc(SCc2ccc(Cl)cc2Cl)s1 22533859 BDGGMDXJGYVGPK-UHFFFAOYSA-N 366.320 3.715 0 40 FHAB OCCNc1nc2ccccc2n1Cc1c(Cl)ccc2cccnc12 54172885 IYIPMKDWJXKODU-UHFFFAOYSA-N 352.825 3.690 0 40 FHAB Cc1ccc(NC(=O)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nc1 47324865 PVYNDPPJXCWGIZ-UHFFFAOYSA-N 372.856 3.926 0 40 FHAB CCN(CCO)C(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 95360847 XMBCHWISFHCCLL-UHFFFAOYSA-N 369.852 3.647 0 40 FHAB Cc1nc(SCC(=O)N2CCCCCC2)c2c3c(sc2n1)CCC3 724053 FDMPHJOJXQWPOZ-UHFFFAOYSA-N 361.536 3.983 0 40 FHAB CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1cccs1 779363 NSHXRSJFFCQFCM-UHFFFAOYSA-N 374.491 3.766 0 40 FHAB C[C@@H](Sc1ccccn1)C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 79060155 UPHASLQFSHKJJL-QMTHXVAHSA-N 371.289 3.719 0 40 FHAB Cc1nn(CC(=O)N2CCCC[C@@H]2c2cccnc2)c2c1[C@H]1[C@@H](C2)C1(C)C 2090816 CFHSVXWZTYDVSM-CBGDNZLLSA-N 364.493 3.636 0 40 FHAB biogenic COc1ccc(NCN2C(=O)S/C(=C\c3ccccc3OC)C2=O)cc1 1052447 OVPHEONCIFQROP-BOPFTXTBSA-N 370.430 3.810 0 40 FHAB CN(CCOc1c(Cl)cccc1Cl)S(=O)(=O)c1cccs1 23986077 KRZQWMCKDSZIFT-UHFFFAOYSA-N 366.291 3.754 0 40 FHAB CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(CC)c3)C2)cc1 24758054 IOPGHFCJMRLXCZ-INIZCTEOSA-N 352.434 3.639 0 40 FHAB Cc1nn(C)c2ncc(NC(=O)c3ccc(-c4ccccc4F)o3)cc12 55395895 SVUMHYUBOHVASQ-UHFFFAOYSA-N 350.353 3.928 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCCOc1ccc(F)cc1 6212990 QUORBRLYWKCRCK-UHFFFAOYSA-N 354.381 3.864 0 40 FHAB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Br)o2)cc1 6612222 XZRBGQLYXLVSMB-JTQLQIEISA-N 366.211 3.789 0 40 FHAB COC(=O)c1sccc1NC(=O)N(C)Cc1nc2ccccc2s1 25079020 FTELYOXUOCIKDI-UHFFFAOYSA-N 361.448 3.808 0 40 FHAB COc1ccc([C@H](CNc2nc3ccccc3s2)N2CCOCC2)cc1 25370318 XCDNXTSXBCSXJH-SFHVURJKSA-N 369.490 3.790 0 40 FHAB CC(C)Cn1nc(C(=O)N[C@@H](C)c2cccs2)c2ccccc2c1=O 43545191 WUKVOZQLIXGUDL-ZDUSSCGKSA-N 355.463 3.605 0 40 FHAB C[C@H](NC(=S)Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCOCC1 25514843 KCXCDPAATICFIF-KXBFYZLASA-N 373.497 3.574 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)COC(=O)COc1ccccc1Cl 3261894 NEVYJIVPRQWWBT-UHFFFAOYSA-N 368.216 3.863 0 40 FHAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(CC(=O)O)cc1 20144527 ZYPBUAJYSYNQPI-UHFFFAOYSA-N 368.216 3.946 0 40 FHAB CC1(C)CC2=C(CC[C@@]3(O2)C(=O)CC(C)(C)N([O])C3(C)C)C(C)(C)N1[O] 100741033 QDAFKIPHFUVRPG-HXUWFJFHSA-N 364.486 3.576 0 40 FHAB CC(C)n1ncc2cc(C(=O)N[C@H](c3ccccc3)c3ccccn3)cnc21 12610396 YECXFVYXXYIADQ-HXUWFJFHSA-N 371.444 3.927 0 40 FHAB O=C1C[C@@H](c2ccccc2)N1CN(Cc1ccccc1)C[C@@H]1CCCO1 57995092 HRJGMWXBQCNKNT-SFTDATJTSA-N 350.462 3.599 0 40 FHAB COc1ccc2c(CC(=O)OCC(=O)c3c[nH]c4ccccc34)coc2c1 3362485 XEIJGFZAGAICMH-UHFFFAOYSA-N 363.369 3.891 0 40 FHAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(Oc2cnccn2)cc1 58356376 XPRUJONMSZWYDR-QAPCUYQASA-N 370.453 3.986 0 40 FHAB CCn1c(CN(C)C(=O)N[C@H](C)CCc2ccco2)nc2ccccc21 58363981 ARMZSQAAIXULSM-OAHLLOKOSA-N 354.454 3.812 0 40 FHAB CC(C)c1nnc(NC(=O)c2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)s1 27995294 ACXAEVWNWCUIFC-SNVBAGLBSA-N 370.434 3.892 0 40 FHAB CCc1nc2sc3c(NCCN(C)C)ncnc3c2c2c1CCCC2 2274790 IHHAGZWQEFITLI-UHFFFAOYSA-N 355.511 3.654 0 40 FHAB CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)C23CC4CC(CC(C4)C2)C3)cc1 10800653 FNNGGHYZPOXLPM-KYGZHNPESA-N 369.461 3.976 0 40 FHAB CCCCCCn1c(N)c(C(=O)NCCC)c2nc3ccccc3nc21 2392055 XDPNIHDTEPOKRF-UHFFFAOYSA-N 353.470 3.887 0 40 FHAB Cc1cc(C)c(C(=O)CCCC(=O)NCc2cn3ccccc3n2)c(C)c1 48364191 UVUNYKKBRHNRAB-UHFFFAOYSA-N 363.461 3.929 0 40 FHAB CCS(=O)(=O)c1ccc(NC(=O)Cc2coc3cc(C)ccc23)cc1 11542166 CYZNYRNQFLXSAL-UHFFFAOYSA-N 357.431 3.716 0 40 FHAB Cc1nc(C(=O)N[C@H](c2cccs2)C(C)C)nn1-c1ccc(F)cc1 10854197 PVUGHERGRSLDDG-INIZCTEOSA-N 358.442 3.903 0 40 FHAB Cn1c(=O)n(C)c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc21 109557525 PCOMLJDRARZRPD-UHFFFAOYSA-N 357.413 3.796 0 40 FHAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc2c(c1)NC(=O)CO2 25672907 IMCBCOGMOIPEEQ-KGLIPLIRSA-N 367.449 3.970 0 40 FHAB COCCn1c(SCCOc2ccccc2C)nc2ccccc2c1=O 2620673 CYHDDLPCLURPRB-UHFFFAOYSA-N 370.474 3.522 0 40 FHAB CCCCc1ccc(NC(=O)COC(=O)COc2ccccc2OC)cc1 2653361 XYXXWUQYUGKHKY-UHFFFAOYSA-N 371.433 3.599 0 40 FHAB COC(=O)c1ccc(CNC(=O)c2csc(-c3ccsc3)n2)cc1 12904229 NNABTOTVPQLNSP-UHFFFAOYSA-N 358.444 3.588 0 40 FHAB Cc1nc2ccc(C(=O)NCc3ccc(CN4CCCC4)cc3)cc2nc1C 12939705 DRXPKEMYOADDGG-UHFFFAOYSA-N 374.488 3.772 0 40 FHAB CC(=O)Nc1cccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c1 12977098 BNRFFPAWUNNCEE-UHFFFAOYSA-N 350.418 3.735 0 40 FHAB O=C(Nc1nccs1)c1cnn(-c2cc(F)cc(F)c2)c1-n1cccc1 49548324 BITDDCFUDBCQDT-UHFFFAOYSA-N 371.372 3.650 0 40 FHAB CCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(C)o3)=NN12 5093372 VRCSSUFNQVRNTF-SFHVURJKSA-N 351.450 3.944 0 40 FHAB C[C@H](NC(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1)C(=O)O 62715554 UXXKQPVIZMCAIB-YKWSONSWSA-N 359.809 3.522 0 40 FHAB CCCNC(=O)c1ccccc1-c1nc(-c2ccc(OC)c(OC)c2)no1 4384059 VTRLDLNBGVPIRX-UHFFFAOYSA-N 367.405 3.561 0 40 FHAB COc1ccc2[nH]cc(C3CCN(C[C@@H](O)COC(C)(C)C)CC3)c2c1 65575421 RRMYTTJDIVDDHU-MRXNPFEDSA-N 360.498 3.532 0 40 FHAB C[C@H]1CCCCN1C(=O)CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1 14174142 RPJBNUJEEYYSDX-RSPDNQDQSA-N 360.458 3.607 0 40 FHAB CC(C)(C)c1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 4616764 LYIHEGQUMJOGRH-LJQANCHMSA-N 364.445 3.891 0 40 FHAB CNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1cccc(C)c1 6649544 BOKAWZRTVGPNCV-UHFFFAOYSA-N 372.881 3.734 0 40 FHAB COc1ccccc1[C@@H](NC(=O)c1cccc(Cl)c1)c1nccn1C 9319062 UQBIJASXXNLSAF-QGZVFWFLSA-N 355.825 3.602 0 40 FHAB CN1CCN(Cc2ccc(C(=O)c3cc(Cl)ccc3Cl)cc2)CC1 22027950 ZSQRLMNQMLTDGX-UHFFFAOYSA-N 363.288 3.972 0 40 FHAB CC1=C(C(N)=O)[C@H](c2ccccc2)N=C(SCc2ccc(F)cc2)N1 4893098 PBJVTCMANZLNJY-KRWDZBQOSA-N 355.438 3.519 0 40 FHAB Cn1nc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)c2ccccc2c1=O 7596169 VNUFOMLVULYQML-UHFFFAOYSA-N 367.408 3.757 0 40 FHAB O=C(O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1cc[n+]([O-])cc1 7681503 LMPMFZPOIKKJSA-OAQYLSRUSA-N 372.380 3.582 0 40 FHAB O=C(c1ccccc1)c1ccc(OS(=O)(=O)c2ccc(Cl)nc2)cc1 16092420 NVIYHBFOWSYBSE-UHFFFAOYSA-N 373.817 3.734 0 40 FHAB Cc1nc(-c2cccc(NC(=O)[C@@H]3COc4ccccc4O3)c2)cs1 9516030 YLTZZIQVAXFMDX-SFHVURJKSA-N 352.415 3.897 0 40 FHAB Cc1cc(CNC(=O)COC(=O)c2cccc3ccccc23)cc(C)c1O 7974357 VXNGPDVVNWACJG-UHFFFAOYSA-N 363.413 3.635 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 8277387 HVKDFWZTBVWHBO-KSSFIOAISA-N 362.901 3.887 0 40 FHAB CC(C)c1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1 19987583 NYIYMBXEJFTQJN-UHFFFAOYSA-N 358.825 3.828 0 40 FHAB O=C(COc1ccc(Cl)c(Cl)c1)c1c[nH]c(C(=O)N2CCCC2)c1 8539296 SIAIPLUNRPNEJW-UHFFFAOYSA-N 367.232 3.819 0 40 FHAB Cc1sc2nc(COC(=O)c3cc4ccccc4[nH]3)nc(N)c2c1C 8705111 CZLSWMVTFBARPW-UHFFFAOYSA-N 352.419 3.729 0 40 FHAB CCc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(OC)c(OC)c2)cc1 72329162 LWTNMXOBLBZVRO-UHFFFAOYSA-N 365.433 3.586 0 40 FHAB O=C(CN1CCCCC[C@H]1C[C@@H](O)c1ccccc1)NCc1cccs1 75107786 XWEQHUNSEYXIGS-AZUAARDMSA-N 372.534 3.733 0 40 FHAB CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 20490713 BSXLRGAJXPDZOU-UHFFFAOYSA-N 366.870 3.669 0 40 FHAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1ccc(OC)cc1 408732097 RYJZWOHDIJAPTK-LJQANCHMSA-N 366.417 3.803 0 40 FHAB Cc1ccc(-n2nc(C(=O)Nc3ccc(OC(F)F)cn3)cc2C)cc1 554298897 SNDIPCUGHPPCQX-UHFFFAOYSA-N 358.348 3.738 0 40 FHAB O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@H]2CN(C3CCC3)C[C@H]21 306143946 YRKUXILSNJBNQT-UYAOXDASSA-N 357.450 3.600 0 40 FHAB COc1c[nH]c(C(=O)Nc2ccc3c(ccn3CCC(C)C)c2)cc1=O 524733389 NEQORMAEZUOSTF-UHFFFAOYSA-N 353.422 3.637 0 40 FHAB CCOC(=O)c1ccc(NC(=O)COc2ccccc2OC)c(Cl)c1 216481281 BLSABFJBGYRQRO-UHFFFAOYSA-N 363.797 3.543 0 40 FHAB O=C(c1cc(-c2ccccc2)on1)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 62330179 SJTGZBDFSHGGJD-MRXNPFEDSA-N 362.385 3.700 0 40 FHAB O=C(Nc1cccc(CN[C@@H]2CCCC[C@H]2O)c1)c1ccccc1Cl 78724809 RCRYPFVFSIVZMD-RTBURBONSA-N 358.869 3.985 0 40 FHAB O=c1ccc(-c2ccc(Br)cc2)nn1CN1CCCCCC1 72402235 KVENSOUAIYQBOA-UHFFFAOYSA-N 362.271 3.506 0 40 FHAB COc1ccccc1CN1C[C@@H](N(C)C)[C@H](c2cn(C)c3ccccc23)C1 72395134 CXQQECCQTKSQKN-RBBKRZOGSA-N 363.505 3.717 0 40 FHAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc4c(c3)OCO4)N21 222650446 JDRYWWUCMWBESS-DOPJRALCSA-N 353.447 3.790 0 40 FHAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)N1CCC(Cc2ccccc2)CC1 225746146 KZUHSRIJZFTXJU-UHFFFAOYSA-N 374.484 3.791 0 40 FHAB O=C(c1ccc(F)cc1F)c1ccccc1CN1CCC2(CC1)OCCO2 85651612 KPLFFBJGUPGXQY-UHFFFAOYSA-N 373.399 3.535 0 40 FHAB CN(C)c1nc(N2CCCCC2)ncc1NC(=O)Nc1cccc(Cl)c1 224143823 WCJGDAJUSSNOLI-UHFFFAOYSA-N 374.876 3.830 0 40 FHAB COc1ccccc1N(CCO)Cc1ncc(Cl)cc1Br 529571724 NIEMZRGPAUCVOS-UHFFFAOYSA-N 371.662 3.505 0 40 FHAB Cc1ccccc1OCC(=O)OC1CN(c2nc3ccc(F)cc3s2)C1 77200608 KFCPEBDZSNYCAD-UHFFFAOYSA-N 372.421 3.555 0 40 FHAB CCCCC[C@](C)(O)/C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O 195762050 XSGQFHNPNWBVPT-IXZUAGLXSA-N 366.498 3.641 0 40 FHAB COc1ccc(C2(C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)CCOCC2)cc1 248250106 LPKCUCYVEZYXSX-OGNFBWPZSA-N 357.494 3.684 0 40 FHAB CNc1cc([C@@H]2CCCN2C(=O)C(C)(C)c2cccc(F)c2)nc(C)n1 257303061 SFQIERONGKVKOX-KRWDZBQOSA-N 356.445 3.607 0 40 FHAB O=C(c1cncs1)N1CCC[C@@H]1c1ncc(Cc2ccccc2F)o1 257215162 COYQKFLEHJDEKA-OAHLLOKOSA-N 357.410 3.838 0 40 FHAB O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccnc2cc(Cl)ccc12 1601866789 GTACCOIJHXRZTQ-SFHVURJKSA-N 366.804 3.540 0 40 FHAB Cc1ccc2c(CCNC(=O)N3CCC[C@@H]3c3cc(C)no3)cn(C)c2c1 547711507 COLIJGXCBGTCHD-GOSISDBHSA-N 366.465 3.872 0 40 FHAB Cc1nc(C)c(CCC(=O)N2CCCCc3cc(Cl)ccc32)c(O)n1 622960333 KUYDSJMUJIPXOX-UHFFFAOYSA-N 359.857 3.755 0 40 FHAB O=C(O)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)[C@H]2CCCC[C@@H]21 659194670 NCGGKPHGJDZWNS-KHMAMNHCSA-N 361.404 3.847 0 40 FHAB CCOc1cccc(C(=O)NCCc2nc(-c3ccccn3)cs2)c1 109881045 ZWOKZMWYUMFMKG-UHFFFAOYSA-N 353.447 3.576 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N(C)Cc1cnn(-c2ccccc2)c1 31817268 FCRGOVGQCDDMDS-UHFFFAOYSA-N 372.428 3.503 0 40 FHAB FC(F)(F)c1cccnc1OC[C@H]1CCCN(Cc2ccccn2)C1 1775995656 CZHBUKZWQRXZNM-AWEZNQCLSA-N 351.372 3.786 0 40 FHAB CC(C)c1ccc(N)c(C(=O)OCC(=O)N2CCC[C@H]2c2ccsc2)c1 61327398 KTPMOBXNUXPKSZ-SFHVURJKSA-N 372.490 3.974 0 40 FHAB CNC(=O)[C@@H]1CCCN(C(=O)N[C@@H](CC(C)C)c2ccc(Cl)cc2)C1 74483880 WWWKUDUTKRVINL-WBVHZDCISA-N 365.905 3.595 0 40 FHAB Cc1cc(/C=C2/NC(=S)NC2=O)c(-c2ccccc2)n1-c1ccccc1 1176175 KIDLXHQRJDEVPN-QGOAFFKASA-N 359.454 3.798 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc(C)n2-c2cccc(C)c2)c1 5359746 ZLASSYOPRQOKFC-UHFFFAOYSA-N 352.463 3.923 0 40 FHAB COc1ccccc1C1(O)CCN(Cc2ccccc2N2CCCC2)CC1 12328601 ONTUUOBSRVTQLW-UHFFFAOYSA-N 366.505 3.779 0 40 FHAB COc1ccc2[nH]cc([C@@H]3CCC[C@H](NC(=O)c4cn(C)nc4C)C3)c2c1 12671110 FDVZPMFBBQYGAM-CABCVRRESA-N 366.465 3.675 0 40 FHAB CCOC(=O)CC(=O)CSc1nc(CC)nc2c1oc1ccccc12 14000067 HHXZWPQHBDTBDM-UHFFFAOYSA-N 358.419 3.553 0 40 FHAB O=C(NC[C@H]1CCC[C@@H](CNC(=O)c2ccccc2)C1)c1ccccc1 18044633 ZKTVNVAMZHNMJN-HDICACEKSA-N 350.462 3.653 0 40 FHAB c1cncc(-c2noc([C@@H]3CCN(Cc4ccnc5ccccc45)C3)n2)c1 19376058 LXQANRQSOKTLIM-QGZVFWFLSA-N 357.417 3.669 0 40 FHAB Cc1noc2nc(C3CCN(C(=O)c4cccnc4)CC3)cc(C(F)F)c12 19564909 WYAZMZJJVXVNQN-UHFFFAOYSA-N 372.375 3.884 0 40 FHAB COc1ccc(-c2n[nH]cc2-c2cncn2C[C@@H](C)N2CCCCC2)cc1 19719570 GYLHDVSDKXMJGL-MRXNPFEDSA-N 365.481 3.823 0 40 FHAB O=C1OC(c2ccccc2Br)=N/C1=C\c1ccc2c(c1)OCO2 4589105 SHNYRDVFZKVUAC-QPEQYQDCSA-N 372.174 3.522 0 40 FHAB O=C(c1ncsc1-c1ccccc1)N1CCC(Cc2ncc[nH]2)CC1 564878151 IQQQMMSVBPWFMU-UHFFFAOYSA-N 352.463 3.628 0 40 FHAB Fc1ncnc(Nc2cnn(-c3ccccc3Cl)c2)c1Br 1650735374 PGHGRYLPKMTHQV-UHFFFAOYSA-N 368.597 3.961 0 40 FHAB NC(=O)c1ccc(C(=O)Nc2cccc(C3SCCCS3)c2)cc1 18112816 VJJNFLBGIRKDEN-UHFFFAOYSA-N 358.488 3.907 0 40 FHAB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Br 5121337 SEDSJHABGIVMBE-UHFFFAOYSA-N 366.280 3.899 0 40 FHAB CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)C12CC3CC(CC(C3)C1)C2 6063644 DTBIBOIPVZQWEI-IVKJLDKCSA-N 359.470 3.551 0 40 FHAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(OCC(F)(F)F)nc2)cc1 10611760 AAYZJFDPHJOFIQ-GFCCVEGCSA-N 368.355 3.912 0 40 FHAB Cc1cc(N2CCC(CNC(=O)CSc3ccc(F)cc3)CC2)ccn1 1888875656 HPDAFPAKFXZWDX-UHFFFAOYSA-N 373.497 3.654 0 40 FHAB COc1ccc2sc(N3CCC(c4nnc(C5CC5)o4)CC3)nc2c1 1888913084 BLLURNSCXNZHJX-UHFFFAOYSA-N 356.451 3.949 0 40 FHAB COc1ccc(Cl)cc1NC(=O)Cc1ccc(OC)c(OC)c1OC 14183538 GXGLELXMAAPBAC-UHFFFAOYSA-N 365.813 3.556 0 40 FHAB O=C(Nc1ccnn1Cc1ccccc1)c1ccc(Br)cc1 5256259 RZIMTQNOHUVTSG-UHFFFAOYSA-N 356.223 3.946 0 40 FHAB COc1ccc(Br)cc1CSc1nnc2ccccn12 8528341 QRLVHEIQBYKLER-UHFFFAOYSA-N 350.241 3.793 0 40 FHAB Cc1cccc(O[C@H]2CCN(C(=O)c3ccccc3SC(F)F)C2)n1 238919155 SUUIZBIFNWDHTF-ZDUSSCGKSA-N 364.417 3.998 0 40 FHAB O=C1CCCN1c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1 5329479 YYPVRKSZGSLCSJ-UHFFFAOYSA-N 366.442 3.767 0 40 FHAB CCOc1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc(F)c2)c1 7573818 FREQERBZCKBHEC-UHFFFAOYSA-N 366.392 3.687 0 40 FHAB CCOc1ccc(-c2cs/c(=N\c3ccccc3OC)n2CCO)cc1 9317529 YQWPNPNSIUBLAM-MRCUWXFGSA-N 370.474 3.849 0 40 FHAB O=C(NCc1c(-c2ccc(F)cc2)nc2n1CCS2)c1ccccc1 17178290 HCSMDECFRPGTIJ-UHFFFAOYSA-N 353.422 3.725 0 40 FHAB CCc1nccn1CC1CN(c2ccc3ccc(Br)cc3n2)C1 2086889467 FVRJIKXYEPEEAS-UHFFFAOYSA-N 371.282 3.893 0 40 FHAB CC[C@@H]1CN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCO1 40062964 VTWQIVIJYOGNOO-GFCCVEGCSA-N 355.278 3.975 0 40 FHAB O=C(CNc1ccc(SC(F)F)cc1)Nc1ccc2c(c1)OCO2 40162255 HONKQYRCKKFKKF-UHFFFAOYSA-N 352.362 3.781 0 40 FHAB CS(=O)(=O)c1ccc(C(=O)N[C@@H](c2cccs2)C2CCCC2)cc1 31805191 BEVDQNBZSNHRFU-QGZVFWFLSA-N 363.504 3.813 0 40 FHAB CCOc1cccc(CNC(=O)c2nnn(-c3cccc(Cl)c3)c2C)c1 51317636 DSMOAMUJZFXEBS-UHFFFAOYSA-N 370.840 3.558 0 40 FHAB CCOC(=O)c1ccc(N2C(=O)C[C@H]([C@@H](C)c3ccccc3)C2=O)cc1 101270983 NPBSKIBOOTZWLV-KBXCAEBGSA-N 351.402 3.547 0 40 FHAB O=C(N[C@@H](c1cccs1)C1CCCC1)C1CCN(C(=O)C2CC2)CC1 32396752 SJDGHQSOZFMHLN-GOSISDBHSA-N 360.523 3.744 0 40 FHAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(C(N)=O)cc2)cc1 32810729 UZFSTILOWYOROZ-LJQANCHMSA-N 352.434 3.552 0 40 FHAB CCOC(=O)N1CCC(NC(=O)CCc2ccc(-c3ccccc3)o2)CC1 21970400 YIFGWCDHQANJBI-UHFFFAOYSA-N 370.449 3.616 0 40 FHAB CNc1nnc(Sc2nc3c(Cl)c(C)nn3c3ccccc23)s1 22062049 FVGHCXLZTJGTOA-UHFFFAOYSA-N 362.871 3.889 0 40 FHAB O=C(NCc1ccccn1)c1cc(Br)ccc1Br 682484 LUTWXCJLDCBIFV-UHFFFAOYSA-N 370.044 3.537 0 40 FHAB CCOC(=O)c1sc2nc(Cc3ccc(Cl)cc3)[nH]c(=O)c2c1C 634211 ZBZNPOOAAQJFDM-UHFFFAOYSA-N 362.838 3.714 0 40 FHAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NCc3ccccn3)c12 42195378 IGBNXFUDWOVJHE-UHFFFAOYSA-N 365.481 3.943 0 40 FHAB Cc1ccccc1NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 812767 XCIDWHIHTGYTNB-LBPRGKRZSA-N 367.474 3.530 0 40 FHAB Cc1cc(C(F)F)n2nc(C(=O)Nc3ccc(Cl)cc3Cl)nc2n1 815198 LFTCHAGGJQJCSJ-UHFFFAOYSA-N 372.162 3.929 0 40 FHAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(O)cc2)o1 863680 AZVSHZPOMXUXGB-UHFFFAOYSA-N 355.419 3.790 0 40 FHAB CCC(=O)N(Cc1cc2cc(C)ccc2n2nnnc12)C1CCCCC1 1376908 MJUSGLZYMHGGRC-UHFFFAOYSA-N 351.454 3.657 0 40 FHAB COc1ccc(NC(=O)N2CCC(n3nnc4cc(C)ccc43)CC2)cc1 1380669 CYZTXTKCUBKHKO-UHFFFAOYSA-N 365.437 3.617 0 40 FHAB CCOC(=O)[C@H](C)c1c(C(=O)c2ccc(C)nc2)c2ccccc2n1C 1617301 WLCYHJXUIPJJET-CQSZACIVSA-N 350.418 3.779 0 40 FHAB O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 2386294 KQKYKWUUVQMRPX-LJQANCHMSA-N 351.402 3.778 0 40 FHAB CCc1c(C)sc2ncn3nc(Cn4nc(C)c(Cl)c4C)nc3c12 2808856 SYTMEJHPRKBRII-UHFFFAOYSA-N 360.874 3.725 0 40 FHAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(-c2ccccc2)cc1 3370145 RFNYEVFQIVEHTM-UHFFFAOYSA-N 362.429 3.791 0 40 FHAB CCOC(=O)c1cc(NC(=O)c2ccc(C)s2)cc(C(=O)OCC)c1 3429485 BLXWBKLHSULEMO-UHFFFAOYSA-N 361.419 3.662 0 40 FHAB O=C1c2ccccc2C(=O)N1N=S(=O)(c1ccccc1)c1ccccc1 3847923 ZORDSBWNPWKISI-UHFFFAOYSA-N 362.410 3.784 0 40 FHAB biogenic O=S(=O)(Nc1cccc(-c2cn3c(n2)SCC3)c1)c1cccs1 4249113 RPOMAWXRILNXGJ-UHFFFAOYSA-N 363.489 3.518 0 40 FHAB Fc1ccccc1N1CCN(C2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)CC1 4712146 LVVWIRQWTFKIOR-AABGKKOBSA-N 369.528 3.624 0 40 FHAB COc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCO3)cc1 4735170 PSIAGONHNQGWNX-UHFFFAOYSA-N 360.373 3.877 0 40 FHAB Cc1ccccc1OCC(=O)NCCSc1nc2ccccc2s1 4839039 MJAGZUWGPZCTOS-UHFFFAOYSA-N 358.488 3.892 0 40 FHAB O=C(NCc1cccc(F)c1)c1ccc2c(c1)[nH]c(=O)n2C1CCCCC1 5001818 NTYFXAXFKHPLCE-UHFFFAOYSA-N 367.424 3.904 0 40 FHAB CCCOc1ccc(OCCSc2nc3ccccc3c(=O)[nH]2)cc1 5125733 GNMCNNSSCVYGMR-UHFFFAOYSA-N 356.447 3.883 0 40 FHAB COc1ccc(NC(=O)COc2cccc3ccc(C)nc23)c(OC)c1 5198707 LQSCFGPOFRGQBK-UHFFFAOYSA-N 352.390 3.578 0 40 FHAB COc1ccc(CNC(=O)CSc2nc(C)c(C)n2CC(C)C)cc1 5262850 XQTYYIGRKGUTFY-UHFFFAOYSA-N 361.511 3.573 0 40 FHAB COc1ccc(OCCCC(=O)NCCOc2cc(C)cc(C)c2)cc1 5749809 APWLMTLCDSXDJP-UHFFFAOYSA-N 357.450 3.666 0 40 FHAB COc1ccc(C(=O)COc2ccccc2Br)cc1OC 5999819 OMLJRCIEAQOGHV-UHFFFAOYSA-N 351.196 3.728 0 40 FHAB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1ccccc1 6080055 JMRZXEBBLFNBFW-UHFFFAOYSA-N 352.415 3.566 0 40 FHAB CCCOc1cccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3o2)c1 6324710 WWPQQRPDHIULRN-UHFFFAOYSA-N 353.378 3.827 0 40 FHAB Cc1cc(N)nc(S[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)n1 7048032 GFQZTQFSZHCJGU-SECBINFHSA-N 356.373 3.505 0 40 FHAB Cc1cc(OCC(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)ccc1Cl 7082616 SURPSXIHLAOMPX-LJQANCHMSA-N 373.836 3.590 0 40 FHAB CC(C)CCn1c(S[C@@H]2CCOC2=O)nc2cc(Cl)ccc2c1=O 7238119 SFZCWAWYCLQXHM-CQSZACIVSA-N 366.870 3.504 0 40 FHAB CCN(CC(=O)Nc1ccccc1OC)Cc1coc(-c2cccs2)n1 7360923 OUIFQSOFBVKUGC-UHFFFAOYSA-N 371.462 3.872 0 40 FHAB Cc1cc(C)c(NC(=O)CN(C)Cc2cn3cccc(C)c3n2)c(C)c1 7487973 GTLJMPBJMBKIBP-UHFFFAOYSA-N 350.466 3.638 0 40 FHAB C[C@H](NC(=O)CCc1nc2ccccc2s1)c1ccc2c(c1)OCCO2 7990418 IDYDNSSGOLTDTF-ZDUSSCGKSA-N 368.458 3.878 0 40 FHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)NCc1ccccc1Cl 8076923 ACJUBTZLNSUEOH-UHFFFAOYSA-N 359.788 3.778 0 40 FHAB COc1ccc2c(CC(=O)NC[C@@H](c3ccco3)N3CCCC3)coc2c1 8342631 BKAQJCWLGOBTBZ-SFHVURJKSA-N 368.433 3.530 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc4nc(C)sc4c3)CC2=O)cc1 8351592 APGJLHKQQBYKMD-CQSZACIVSA-N 365.458 3.905 0 40 FHAB COc1ccc(-c2noc(COC(=O)c3ccc(Cl)cc3)n2)cc1OC 8447582 HNHKKDGEUKOVSH-UHFFFAOYSA-N 374.780 3.764 0 40 FHAB O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccc2c(c1)OCCO2 8719690 GPRZVPHDHJKPRJ-UHFFFAOYSA-N 370.405 3.902 0 40 FHAB O=C(Nc1c(C(=O)Nc2ccccc2)oc2ccccc12)c1csnn1 9250853 XTVPCFMWFYVDKR-UHFFFAOYSA-N 364.386 3.789 0 40 FHAB Cc1sc2nc(CSc3ncnc4ccsc34)[nH]c(=O)c2c1C 9389690 JPTREHXCLOTLFB-UHFFFAOYSA-N 360.489 3.898 0 40 FHAB C[C@@H](Sc1nncs1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 9577578 XTEJDCDVXDWMNR-MRVPVSSYSA-N 366.468 3.920 0 40 FHAB Cc1ccccc1Cc1c(C)nc(Nc2nc(C)c3ccccc3n2)[nH]c1=O 9936698 PZQFSONHMZHTEK-UHFFFAOYSA-N 371.444 3.973 0 40 FHAB CC(=O)N(C)Cc1ccc(C2=NN=C(Nc3cccc(C)c3)SC2)cc1 9945575 GDVWHXDNXHYZCL-UHFFFAOYSA-N 366.490 3.892 0 40 FHAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)/C=C/c2cccc(F)c2)C1 11001752 NEXKGVSAEDLJFM-FMQWLBJXSA-N 352.409 3.716 0 40 FHAB O=C(CCC(=O)N1CCC[C@H](c2cc3ccccc3cn2)C1)c1cccnc1 12188269 AYWHOPGEPBYNSS-FQEVSTJZSA-N 373.456 3.999 0 40 FHAB Cc1ccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)cc1 12630393 FLGQMFVRIXWTOL-UHFFFAOYSA-N 362.195 3.837 0 40 FHAB Cc1sc2ncnc(N3CCC[C@H](c4nnc5ccccn45)C3)c2c1C 12903428 UMRKSVGOAXFNBM-AWEZNQCLSA-N 364.478 3.735 0 40 FHAB CC1CCN(Cn2nc(-c3cccnc3)n(Cc3ccco3)c2=S)CC1 12943005 NJAZMUZLOFWMJZ-UHFFFAOYSA-N 369.494 3.807 0 40 FHAB O=C(CCCNC(=O)c1ccsc1)Nc1ccc(C(F)(F)F)cc1 12981515 PZNDDBWHBJHHFY-UHFFFAOYSA-N 356.369 3.916 0 40 FHAB Cc1ccc(-n2c(C)nnc2SCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 13284405 BGTUDJSROOWSNF-GASCZTMLSA-N 358.511 3.766 0 40 FHAB COCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccc(C)c(C)c1 13479860 VCVLCZYMYAPLOD-UHFFFAOYSA-N 364.445 3.633 0 40 FHAB COc1cccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)c1 14153134 PHYMGEGLLDJENG-UHFFFAOYSA-N 374.849 3.932 0 40 FHAB CCc1nnc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)s1 14208840 HOEUNHMSQYRCMH-UHFFFAOYSA-N 365.418 3.864 0 40 FHAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2OC(F)F)c(C)o1 15818314 JGJLDTVPFOTQEJ-LLVKDONJSA-N 353.321 3.682 0 40 FHAB Cc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 16087424 WTXSMMRVHQICTA-LBPRGKRZSA-N 359.369 3.933 0 40 FHAB COc1cc(OC)c(OC)cc1CNC(=O)/C=C/c1ccc([C@@H]2C[C@@H]2C)o1 16234314 HOFJWHMTNJXKFT-HDZMBNNRSA-N 371.433 3.758 0 40 FHAB Cc1ccccc1CSc1n[nH]c(=O)c2cc(-c3cccs3)nn12 16844011 HUFLQODPIBLPKC-UHFFFAOYSA-N 354.460 3.747 0 40 FHAB CCN(CC)CCn1c(=N)n(CCOc2ccc(C)cc2)c2ccccc21 20069476 LPQOEWVMYXKCIH-UHFFFAOYSA-N 366.509 3.651 0 40 FHAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Cl)cc2)c1 20495019 IXFBOKJDILPBEU-UHFFFAOYSA-N 359.234 3.617 0 40 FHAB C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccc(F)cc1 21843454 IMFLLPPYAPZWPF-YOEHRIQHSA-N 372.415 3.694 0 40 FHAB CC(=O)N(c1nn(CN(C)[C@@H]2CCc3ccccc32)c(=S)s1)C1CC1 22758692 YHHKTQRPYNQWPG-MRXNPFEDSA-N 374.535 3.766 0 40 FHAB Cc1cc(C(=O)OCc2nc3ccccc3s2)c2c(C)nn(C)c2n1 24362564 TUCVAYUOHNJBFR-UHFFFAOYSA-N 352.419 3.552 0 40 FHAB CCOC(=O)c1oc2ccccc2c1COC(=O)[C@@H]1Cc2ccccc2O1 27419848 LWXVWVXZHBIMBQ-SFHVURJKSA-N 366.369 3.656 0 40 FHAB CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(OC)cc1OC 27975779 HZIABINTVBVEIY-LJQANCHMSA-N 355.434 3.989 0 40 FHAB Cc1cccc2c(=O)n(CCCC(=O)Nc3cccc(Cl)c3F)cnc12 28696162 ZEKZNWLXSZFEKM-UHFFFAOYSA-N 373.815 3.916 0 40 FHAB COc1ccc(OC)c([C@@H](O)CNC(=O)Nc2cccc3ccccc23)c1 32912612 HGHOOPGERPOVTL-IBGZPJMESA-N 366.417 3.712 0 40 FHAB O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1cc(Cl)ccc1F 32924650 CVRSCXYHHDHKLI-UHFFFAOYSA-N 366.864 3.780 0 40 FHAB COC(=O)c1sccc1NC(=O)c1csc(Cc2ccccc2)n1 33159798 DIHFWCWQTAZKPO-UHFFFAOYSA-N 358.444 3.834 0 40 FHAB Cc1ccc(NC(=O)C(C)(C)C)cc1OCc1cc(=O)n2ccccc2n1 33268536 HQIXSAWOMYPVCC-UHFFFAOYSA-N 365.433 3.567 0 40 FHAB Cc1ccc2c(c1)c1nnc(SCc3nc4ccccc4[nH]3)nc1n2C 35313012 DSCPSMFFYIEDEX-UHFFFAOYSA-N 360.446 3.994 0 40 FHAB Cc1cc(C(=O)N2CCCC[C@@H]2C)c2cnn(-c3ccccc3F)c2n1 36615997 NVLMCEFHKXUDKT-AWEZNQCLSA-N 352.413 3.883 0 40 FHAB CC[C@H](C(=O)Nc1nnc(CCc2ccccc2)s1)n1nc(C)cc1C 36752587 JYFSVBIJAUWQES-MRXNPFEDSA-N 369.494 3.726 0 40 FHAB CC(C)(C)c1cc(NC(=O)CNc2ccccc2OC(F)(F)F)on1 40017916 MZUWQZYNGNUUJE-UHFFFAOYSA-N 357.332 3.921 0 40 FHAB C[C@@H]1CCC[C@@H](NC(=O)[C@@H](C)N2CCO[C@H](c3ccc(F)cc3)C2)[C@@H]1C 40061000 PNKNKOHTAWTGAW-BIQFIRCYSA-N 362.489 3.528 0 40 FHAB O=c1c(Cl)c(Cl)cnn1Cc1csc(-c2ccc(F)cc2)n1 40161772 ILAPDJXXVOTKNF-UHFFFAOYSA-N 356.209 3.861 0 40 FHAB CCOCCOCc1cccc(NC(=O)N[C@@H]2CCOc3ccccc32)c1 47604464 DDQLNBDUMITHRU-LJQANCHMSA-N 370.449 3.885 0 40 FHAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N(C)Cc1ccc(C(F)(F)F)cc1 57908824 JVIWMTXGSHUCAJ-CYBMUJFWSA-N 368.403 3.515 0 40 FHAB CN(C(=O)c1ccc2c(O)[nH]c(=S)nc2c1)[C@@H]1CCc2ccccc21 58434333 OJGVURDWRJIPGW-MRXNPFEDSA-N 351.431 3.757 0 40 FHAB COc1ccc2c(=O)c(C(=O)N(C)Cc3ccc4ccccc4c3)c[nH]c2c1 58490264 RKASZWGNEUYEFP-UHFFFAOYSA-N 372.424 3.962 0 40 FHAB O=C(c1ccccc1Br)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 62189387 BXUHYNOFGHPVGA-CYBMUJFWSA-N 374.234 3.808 0 40 FHAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)n2c(S)nnc2-c2cccs2)o1 69351009 HYXBCOLXWHVAKF-MNOVXSKESA-N 362.480 3.635 0 40 FHAB CCN(CC)Cc1nnc2sc(COc3ccc(C(C)(C)C)cc3)nn12 71260563 OTAKOWVGQONXIR-UHFFFAOYSA-N 373.526 3.904 0 40 FHAB Cc1cc2ncn(C[C@H](NC(=O)[C@@H]3C[C@@H]3c3cccnc3)C3CC3)c2cc1C 75106636 KQNLUGSTSYPOAT-SBHAEUEKSA-N 374.488 3.747 0 40 FHAB CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccncc2)cc1 76196158 QYXPINIYROVOMX-KRWDZBQOSA-N 369.490 3.533 0 40 FHAB CN(C)CCn1cc(NCc2c(OC(F)F)ccc3ccccc23)cn1 83851158 AVUNLJNZCNRZLA-UHFFFAOYSA-N 360.408 3.811 0 40 FHAB Cc1cccc(OC2CCN(C(=O)c3cc(-c4cccs4)n[nH]3)CC2)n1 96119478 XRHHOXVZYHQPJE-UHFFFAOYSA-N 368.462 3.525 0 40 FHAB Cc1cc(C)c(N2C(=O)[C@H]3[C@@H]4C(=O)C[C@H](c5ccccc54)[C@H]3C2=O)c(C)c1 100047764 VWJPUFXKYFMOKC-MDNKFWRPSA-N 359.425 3.571 0 40 FHAB CC(C)n1cc(C(=O)N2[C@H]3CC[C@@H](C3)[C@H]2COc2ccc(F)cc2)cn1 100113120 SIZLQLKLMQSUJX-UCLAIMLFSA-N 357.429 3.675 0 40 FHAB CC1CCC(NC(=O)[C@@H]2[C@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@@H]32)CC1 100123907 WMFQZJOXVFTIGJ-YCDSOTHPSA-N 353.462 3.742 0 40 FHAB Cc1noc(C)c1[C@@H](C)CNC(=O)N(C)[C@H]1CCCN(c2ccccc2)C1 151462084 NNRPTTXXSPMAER-KXBFYZLASA-N 370.497 3.705 0 40 FHAB Brc1ccccc1OC[C@@H]1CN(Cc2ccccc2)CCO1 217496804 WXYOIHOZQKLMKL-INIZCTEOSA-N 362.267 3.729 0 40 FHAB COc1cccc(O[C@@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)c1 223713204 OLABZHXXVAOJPE-INIZCTEOSA-N 371.477 3.955 0 40 FHAB Cc1cccc(CS(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)c1 224169211 LRORXTYOQPKZDD-UHFFFAOYSA-N 361.507 3.791 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NCC(C)C)ccc2C)cc1 224303194 AUWJLCWCGSNSBO-UHFFFAOYSA-N 374.506 3.514 0 40 FHAB Cc1ccc(C)c(OCC(=O)NCc2cccc(CN3CCCCC3)c2)c1 224675613 ZPNJERDSBINBOM-UHFFFAOYSA-N 366.505 3.985 0 40 FHAB Cc1cc(C)cc(NC(=S)N2CCN(Cc3cccc(O)c3)CC2)c1 225219859 JLMLOTBLMGZSLO-UHFFFAOYSA-N 355.507 3.524 0 40 FHAB Cc1cccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)c1 225771788 YCLMSRFDHDXDQU-UHFFFAOYSA-N 369.534 3.955 0 40 FHAB COc1ccc(NC(=S)NCCOc2ccccc2Cl)c(OC)c1 225779594 PZWZJVUTSPEKFB-UHFFFAOYSA-N 366.870 3.723 0 40 FHAB CCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCCC[C@@H]1C 226277261 FZXKCXNNYZKFSO-NSHDSACASA-N 358.360 3.743 0 40 FHAB CCOc1ccccc1[C@@H](CC)NC(=O)CN1CCC[C@H]1c1ccc[nH]1 252548530 QABROQISDHCDGN-MJGOQNOKSA-N 355.482 3.818 0 40 FHAB Cc1cc(-c2c(C)noc2C)nc([C@H]2CCCCN2Cc2cnccn2)n1 257209856 BSERFLTZAQSVCG-GOSISDBHSA-N 364.453 3.574 0 40 FHAB CC(C)c1cc(C(=O)N2C[C@H]3[C@@H](Oc4ccccc4F)CC[C@H]3C2)on1 257245457 IPOWPZXBNUAIBV-VBQJREDUSA-N 358.413 3.867 0 40 FHAB Cc1cnc(Nc2nccnc2[C@@H]2CCCN(Cc3cscn3)C2)s1 257265787 MAGDMIWAYXGHEG-CYBMUJFWSA-N 372.523 3.821 0 40 FHAB Cc1ccc2c(C(=O)N3CCC([C@@H]4C[C@H](N)CCO4)CC3)csc2c1 333296877 PLRJPCLGXCNTQZ-QAPCUYQASA-N 358.507 3.568 0 40 FHAB O=C(NCc1cccc2ccccc12)N1CCC[C@@H](Oc2ccncc2)C1 575612252 KJKMLNXNMMNDSD-HXUWFJFHSA-N 361.445 3.988 0 40 FHAB COc1ccccc1CN(C)[C@H]1CCC[C@@H](Oc2ccccc2C)[C@@H]1O 585288990 MBPFOODCMIKUQH-VLCRHTCISA-N 355.478 3.796 0 40 FHAB CCSCc1ccc(C(=O)N2CC(=O)N(C)c3ccccc3C2)cc1 598944543 PNMQBFFCMKCMSE-UHFFFAOYSA-N 354.475 3.559 0 40 FHAB c1cc2cc(c1)Cc1cc(-c3cccnc3)ccc1OCCOCCNC2 643554376 HONZXYYHRRAVMR-UHFFFAOYSA-N 360.457 3.838 0 40 FHAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2ccc(O)nc2)N1c1cccc(F)c1 1615122712 AHYRZEMDGRKFEG-ROUUACIJSA-N 369.440 3.588 0 40 FHAB O=C(c1cccc(Br)c1)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1888853837 FJEZDKABDYWYJG-GJZGRUSLSA-N 360.255 3.654 0 40 FHAB c1cncc(COC[C@H]2CN(CC3CCCCC3)Cc3ccnn3C2)c1 2055713221 IGBUGAWMMJXTER-FQEVSTJZSA-N 354.498 3.507 0 40 FHAB Cc1cc(N2CC[C@@H]3CN(C(=O)c4sccc4F)C[C@@H]3CC2)ccn1 2056224802 WJPUAXDJEBKNLF-GASCZTMLSA-N 359.470 3.579 0 40 FHAB Cc1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 790757 HOSGBPYCNONOHP-CYBMUJFWSA-N 367.474 3.530 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2cccs2)n1C 905411 DTVZRJVTZQVULA-GFCCVEGCSA-N 370.503 3.614 0 40 FHAB Cc1nn2c(nc(N(C)CCc3ccccn3)c3ccccc32)c1Cl 12550206 PTHAUQABDLVEHL-UHFFFAOYSA-N 351.841 3.918 0 40 FHAB Cc1sc2nc(SCC(=O)Nc3cccc(F)c3)nc(N)c2c1C 12540600 MOFVJPHJEPVLOB-UHFFFAOYSA-N 362.455 3.760 0 40 FHAB C[C@@](O)(c1ccccc1)c1ccccc1S(=O)(=O)Nc1ccccc1 4809114 NRPTYJGKSNGZCG-HXUWFJFHSA-N 353.443 3.743 0 40 FHAB C[C@@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)N[C@H]1CCCC[C@H]1C 4897829 FGXOEPBVVWLKSN-BZPMIXESSA-N 369.494 3.682 0 40 FHAB CC(C)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 55176122 JAVOAZGEIUGUPV-BBRMVZONSA-N 368.424 3.502 0 40 FHAB Cc1ccc(NC(=O)CN(C)C(=O)CCC(=O)c2cc(C)ccc2C)cc1 8375697 PPCXJZBHCKRQED-UHFFFAOYSA-N 366.461 3.672 0 40 FHAB O=C(NCCCN1CCCC1=O)c1ccc(-c2ccc(Cl)cc2)s1 25705308 DELKSIJREYLLPO-UHFFFAOYSA-N 362.882 3.811 0 40 FHAB CC(C)[C@H](OC(=O)/C=C/c1cscn1)C(=O)NC1CCCCCC1 95392989 PRKSZACSVZDUJY-FVNWOWOISA-N 350.484 3.563 0 40 FHAB Cc1cc(N[C@H](C)c2ccc(F)cc2F)n2nc(C(F)(F)F)nc2n1 26693543 HQVHDHDPQMMPGQ-MRVPVSSYSA-N 357.286 3.903 0 40 FHAB CCOc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccccc2C)cc1 9643881 JYRJYFWOXHPQBB-UHFFFAOYSA-N 368.462 3.954 0 40 FHAB COc1ccccc1N1CCN(C(=S)Nc2ccc(C)cc2C)CC1 9877145 RGCBVBUQCBRZOR-UHFFFAOYSA-N 355.507 3.831 0 40 FHAB O=C(NCc1ncc(-c2ccccc2)[nH]1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 109094578 OAAGATWNPLFLCL-HUUCEWRRSA-N 353.372 3.775 0 40 FHAB CC1=NN(c2ccc(C(=O)NCCc3nc4c(s3)CCCC4)cc2)CC1 84677959 ONNCXIQZMMZSNV-UHFFFAOYSA-N 368.506 3.580 0 40 FHAB O=C(COC(=O)c1ccnc(Cl)c1)Nc1ccccc1C(F)(F)F 21742959 OJARPTSOJGLRFJ-UHFFFAOYSA-N 358.703 3.549 0 40 FHAB O=c1[nH]c2c(c(=O)[nH]1)[C@@H](c1cccc3ccccc13)C=C(c1ccccc1)N2 100942076 AUTFNXLFUKNTNR-GOSISDBHSA-N 367.408 3.815 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1 12736292 MSLQNMPRHXTNKO-OAHLLOKOSA-N 366.200 3.722 0 40 FHAB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2ccsc2c1=O 27818979 ILVFVNNRUBFTPE-UHFFFAOYSA-N 373.503 3.826 0 40 FHAB COc1cccc(CC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1 12773666 PHTUCTIJIHPZRI-OAQYLSRUSA-N 355.434 3.522 0 40 FHAB C[C@H](Sc1cc(C(N)=O)c2ccccc2n1)C(=O)Nc1cccc(F)c1 12788311 AZGKTDWWBANWBV-NSHDSACASA-N 369.421 3.592 0 40 FHAB CC(C)n1ncc2cc(C(=O)N[C@@H]3CCSc4ccccc43)cnc21 12783124 NLMSPODINWEDRW-MRXNPFEDSA-N 352.463 3.979 0 40 FHAB O=C1C[C@H](c2ccc(C(=O)O)cc2)c2ncn(-c3ccc(Cl)cc3)c2N1 36358648 RAZLUZWPIYZOCX-OAHLLOKOSA-N 367.792 3.698 0 40 FHAB CC(C)c1ccc(C(=O)N2CCN(C(=O)c3cc(F)cc(F)c3)CC2)cc1 12781686 WQRVKERINVUWJT-UHFFFAOYSA-N 372.415 3.686 0 40 FHAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)Nc1ccc(OC)cc1 2332420 ICTUESRHUIFFEB-UHFFFAOYSA-N 353.378 3.916 0 40 FHAB Fc1ccc(-n2ncc3c2ncn2nc(-c4ccc(Cl)cc4)nc32)cc1 2430910 XRLGMSXBHZRKQU-UHFFFAOYSA-N 364.771 3.923 0 40 FHAB Cc1csc(=O)n1CCC(=O)N[C@H](c1cccs1)C1CCCC1 48300255 UENXRPBBYGACQD-INIZCTEOSA-N 350.509 3.718 0 40 FHAB Cc1sc2nc(SCc3noc(C(C)(C)C)n3)n(C)c(=O)c2c1C 36735336 WJYBYMKOZPTKFB-UHFFFAOYSA-N 364.496 3.585 0 40 FHAB COc1cc(NC(=O)c2cnn(-c3ccccc3)c2)c(OC)cc1Cl 12899379 DBGPUOARFKOTRY-UHFFFAOYSA-N 357.797 3.795 0 40 FHAB COc1ccccc1C(=O)N1CCN(Cc2csc3ccccc23)CC1 12854830 LHWBVHQCPLBRPP-UHFFFAOYSA-N 366.486 3.868 0 40 FHAB CCc1cc2c(SCC(=O)NCc3ccc(F)cc3)ncnc2s1 2624636 FKTUUMKWSIOCDG-UHFFFAOYSA-N 361.467 3.801 0 40 FHAB COC[C@H](C)N(C)C(=O)Nc1ccc(OC)c(NC(=O)OC(C)(C)C)c1 62640021 UJALUPZOQHZNBY-LBPRGKRZSA-N 367.446 3.541 0 40 FHAB CCCNC(=O)COC(=O)c1oc2ccccc2c1COc1ccccc1 3530416 AKWCOVGAPCQFMH-UHFFFAOYSA-N 367.401 3.695 0 40 FHAB CCN(CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)Cc1ccccc1 12910820 VFGDUPMGTIXHJJ-UHFFFAOYSA-N 366.440 3.780 0 40 FHAB O=C(Nc1ccnn1Cc1ccccc1Br)[C@@H]1CC=CCC1 12947139 FNIPHCFMDNOQPQ-CYBMUJFWSA-N 360.255 3.989 0 40 FHAB CSc1ccc(NC(=O)C(=O)N[C@@H]2CCSc3ccccc32)cc1 48767225 IQMBIAGTBFAKDC-OAHLLOKOSA-N 358.488 3.700 0 40 FHAB Cc1ccc(OCCCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 115127750 RIBQNOIHBSSKJT-MRXNPFEDSA-N 355.434 3.803 0 40 FHAB CCn1ccnc1/C=C/C(=O)N1CCCCC[C@@H]1c1noc(C(C)C)n1 96001247 RYVZJTDOAHHGFV-BOLDSZDNSA-N 357.458 3.567 0 40 FHAB Cn1c(SCc2ccc(Br)cc2)nnc1-c1ccccn1 5094132 JHPMKBHOIOUOPN-UHFFFAOYSA-N 361.268 3.932 0 40 FHAB Cc1c(-c2ccccc2)oc2c(C(=O)NC3=NCCS3)cccc2c1=O 9216850 RNJCPQKDWZOULK-UHFFFAOYSA-N 364.426 3.601 0 40 FHAB Cc1ccc(-c2nc(C(=O)NCCCO)cc3c2[nH]c2ccccc23)cc1 6173657 PJUCNQAYJGDTTH-UHFFFAOYSA-N 359.429 3.804 0 40 FHAB biogenic O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2CN(Cc3ccoc3)C[C@H]21 306144322 ZCEPWCZINWGQTG-QFBILLFUSA-N 371.483 3.763 0 40 FHAB CCOC(=O)c1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 6368640 LUHNWYDIONGTDM-UHFFFAOYSA-N 373.352 3.683 0 40 FHAB CC1CCN(C(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)CC1 9336113 YNQRTOLRHMOHGA-CQSZACIVSA-N 372.412 3.767 0 40 FHAB CCN(CC)C(=O)CN(C)c1ncnc2sc(-c3ccccc3)c(C)c12 9497883 QCLMQXPABCHVAF-UHFFFAOYSA-N 368.506 3.971 0 40 FHAB CCOc1ccccc1[C@H]1SCC(=O)Nc2c1c(O)nn2C1CCCC1 5967685 ZGECIOBJMNIHPN-QGZVFWFLSA-N 373.478 3.877 0 40 FHAB O=C1COc2ccc(C(=O)COc3cc(Cl)cc(Cl)c3)cc2N1 21736397 JAHKBFVQFFJOLL-UHFFFAOYSA-N 352.173 3.586 0 40 FHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc(-c2cccs2)on1 15859722 WABQXEZVXWUXPD-AWEZNQCLSA-N 357.435 3.563 0 40 FHAB O=C(NCc1cccc(C(F)(F)F)c1)c1cncc(Br)c1 15977023 OCHCYLIZLBTNSL-UHFFFAOYSA-N 359.145 3.793 0 40 FHAB CC(=O)[C@@H](C)Sc1nnc(COc2ccccc2Cl)n1C1CC1 9579095 RDCBDARKELGTOV-LLVKDONJSA-N 351.859 3.915 0 40 FHAB CSc1nc(N2CCCC2)c2cc(C(=O)NC(C)(C)C)sc2n1 408626153 ZNAXSZHNXBLLPQ-UHFFFAOYSA-N 350.513 3.542 0 40 FHAB C[C@H]1Oc2ccc(NC(=O)CCc3nc4ccccc4s3)cc2NC1=O 8014336 OJBGGRZDQFAMJD-LLVKDONJSA-N 367.430 3.587 0 40 FHAB Cc1nc(C(=O)Nc2ccc3c(c2)COC3)nn1-c1ccccc1C(C)C 91675211 QBDZJTOFCXNNPO-UHFFFAOYSA-N 362.433 3.982 0 40 FHAB CN(C)c1cc(-c2noc(-c3cc(-c4ccccc4F)on3)n2)ccn1 83854225 MPFLQCYHGMBPIL-UHFFFAOYSA-N 351.341 3.659 0 40 FHAB O=C(NCc1ccccc1F)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 9679790 QFWRFLQUABODSU-HNNXBMFYSA-N 352.413 3.791 0 40 FHAB COc1cc(C2=N/C(=C/c3ccc(C)cc3)C(=O)O2)ccc1OC(F)F 96635185 FRWFCUGDVVRFOW-NTEUORMPSA-N 359.328 3.950 0 40 FHAB Cc1[nH]c2[nH]n(-c3ccccc3)c(=O)c2c(=O)c1Cc1cccc(Cl)c1 18155237 AGBREWYSFIEQCN-UHFFFAOYSA-N 365.820 3.560 0 40 FHAB CC1=CC[C@H]2C(=O)N(c3ccc(OC(=O)c4cccs4)cc3)C(=O)[C@@H]2C1 18241566 OHUGWADGBUTBRV-HZPDHXFCSA-N 367.426 3.813 0 40 FHAB CCOc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)Nc1ccccc1 18275863 DJWKANXHLCJTRI-GOSISDBHSA-N 367.474 3.517 0 40 FHAB Cc1ccc(CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)cc1 8887741 NOACHWMKRXPRAO-GOSISDBHSA-N 373.250 3.725 0 40 FHAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc(Cl)c(Cl)[nH]1 97037069 UYZQLGBPACKWQD-OAHLLOKOSA-N 352.265 3.888 0 40 FHAB CCC(CC)C(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 95998712 FFFOHXDROAWZGF-QGZVFWFLSA-N 368.481 3.804 0 40 FHAB Cc1cccc(C2=NN(C(=O)[C@H]3CCCO3)[C@H](c3cccc(F)c3)C2)c1 89669280 SRZASRAURGAUFA-VQTJNVASSA-N 352.409 3.991 0 40 FHAB O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2)no1 35319101 MQZNEXOVIFMHOF-MRXNPFEDSA-N 355.344 3.992 0 40 FHAB Cc1ccc(-c2ccc3c([C@H]4CN(Cc5ccco5)CCO4)nnn3c2)cc1 306141330 VSBPDBHFBZSFQN-OAQYLSRUSA-N 374.444 3.871 0 40 FHAB CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)[C@@H](c2ccccc2)C1 25909533 RLLQGIKSKLXKBK-OAQYLSRUSA-N 366.486 3.517 0 40 FHAB CC(C)CCn1c(SCc2ccc(F)cc2)nc2nccnc2c1=O 6818630 OEMONDXPAVVTMK-UHFFFAOYSA-N 358.442 3.664 0 40 FHAB Cc1nc(-c2cccc(NS(=O)(=O)CCOc3ccccc3)c2)cs1 70637758 RUKVXPKEBLTRHP-UHFFFAOYSA-N 374.487 3.939 0 40 FHAB Cc1ccc(CC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1C 218811933 UBVIDMDGGSMEOF-UHFFFAOYSA-N 355.825 3.866 0 40 FHAB O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1c(F)cccc1F 33053783 RHDOCLJAPBTHJY-UHFFFAOYSA-N 365.401 3.933 0 40 FHAB CC1=C(C(N)=O)[C@H](c2cccc(Cl)c2Cl)NC(SC(C)C)=N1 33858565 SOEYXVIAGUMDPR-ZDUSSCGKSA-N 358.294 3.895 0 40 FHAB C[C@H]1SC[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 38528919 WFCIGOQMPVAAGQ-KZULUSFZSA-N 369.442 3.784 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCCN1CCCC[C@@H]1CC 216141095 IFJFHGQVMURPJP-PXNSSMCTSA-N 362.514 3.623 0 40 FHAB C[C@@]1(C(=O)NCCCc2ccc(F)cc2)CC(c2ccccc2F)=NO1 223284827 OLUWHIHJPAGFCR-FQEVSTJZSA-N 358.388 3.597 0 40 FHAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCC)c1ccccc1 223479451 CAIZEXHAKJAZBO-HXUWFJFHSA-N 356.441 3.832 0 40 FHAB C[C@H]1CC(C(=O)O)C[C@H](C)N1Cc1cc(Cl)c2c(c1)OCCCO2 530175050 CLWZWDRTAVRERH-RYUDHWBXSA-N 353.846 3.575 0 40 FHAB COc1cc(C)c([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OC 222564947 CBYGHSMHRGHXNH-MJXNMMHHSA-N 369.490 3.997 0 40 FHAB CCOc1cccc(CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)c1 223732752 WYJUOCPWTJHTFS-UHFFFAOYSA-N 369.870 3.568 0 40 FHAB Cc1ccc(CN(CC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 224341583 YQWOCKHYHQEWKY-UHFFFAOYSA-N 374.506 3.519 0 40 FHAB O=C(Nc1ccc(Oc2cccnc2)nc1)c1cc(F)c(F)c(O)c1F 579409614 ZPMPLSYWZAQUDI-UHFFFAOYSA-N 361.279 3.644 0 40 FHAB Cc1cc(CNC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)n(C)n1 585081176 CWYIQKOSJHTCLE-NRFANRHFSA-N 360.461 3.586 0 40 FHAB CCc1ccc(N(CC(=O)Nc2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 243175927 JUWSASDXTMWGSY-UHFFFAOYSA-N 374.506 3.579 0 40 FHAB COC(C)(C)C(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2 257297875 RJDCUPYAEVWEPY-PYRYHMDCSA-N 370.537 3.544 0 40 FHAB O=C(c1ccc2ccccc2n1)N1CCC[C@H](c2cccc3nccn23)C1 257313917 UURGXCODFZWDQS-KRWDZBQOSA-N 356.429 3.902 0 40 FHAB CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)Nc1ccc(N(C)C(C)=O)cc1 678462648 KENQACUNFVPBPS-DJJJIMSYSA-N 373.428 3.706 0 40 FHAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)s1)c1noc2c1CCCC2 1775966434 DQXUGWLZHIIEGV-CYBMUJFWSA-N 374.487 3.807 0 40 FHAB CC(C)(C)c1ccc2c(c1)CN(C(=O)c1cnn(-c3cccnc3)c1)CC2 679696772 XAPCIXSHEHOLCN-UHFFFAOYSA-N 360.461 3.763 0 40 FHAB COCCN1CCN(C(=O)Nc2cccc(Sc3ccccc3)c2)CC1 594909724 NQCXCLZVUMINBP-UHFFFAOYSA-N 371.506 3.634 0 40 FHAB O=C(c1ccc(Cl)cc1)C1CCN(C[C@@H](O)COc2ccccc2)CC1 58414236 PKYZLTBEXDNSFI-LJQANCHMSA-N 373.880 3.675 0 40 FHAB COc1ccc2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCC(=O)N4)[nH]c2c1 58423864 YVMAIXCZMFMUEU-GFCCVEGCSA-N 363.417 3.552 0 40 FHAB Cc1oc(-c2ccsc2)nc1CC(=O)N1CC[C@H](OCCC(C)C)C1 75107281 OMXIMCWYWFCKSW-INIZCTEOSA-N 362.495 3.918 0 40 FHAB CC(C)c1ccc(CN(C(=O)c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 5254172 WCBZRRPELDVFGD-FQEVSTJZSA-N 371.502 3.640 0 40 FHAB O=C(CCn1ncc2ccccc21)N1CCC[C@H]1c1nc2ccccc2[nH]1 12116066 KDUXSGBQKYSDBX-IBGZPJMESA-N 359.433 3.666 0 40 FHAB Cc1cccc(CN2CCc3nc4cc(C(C)(C)C)nn4c(O)c3C2)c1 12142907 WWZQQYZHHBJZJU-UHFFFAOYSA-N 350.466 3.599 0 40 FHAB CC(C)n1cc(C(=O)N2[C@H](COc3ccc(F)cc3)[C@H]3CC[C@@H]2C3)cn1 12220634 SIZLQLKLMQSUJX-POZUXBRTSA-N 357.429 3.675 0 40 FHAB O=C(CNC(=O)c1sc2ccccc2c1Cl)NCc1ccccc1 12902307 PJPGINOGSPEIGU-UHFFFAOYSA-N 358.850 3.601 0 40 FHAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)on1 13225949 MCRSPSTVPKZECK-KGLIPLIRSA-N 358.467 3.564 0 40 FHAB Cc1ccc(N2CCN(CC(=O)Nc3ccccc3Cl)C[C@@H]2C)cc1 13737030 OBVDCMRGIAJTLF-INIZCTEOSA-N 357.885 3.798 0 40 FHAB C[C@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2ccccc2)n1C 13849535 ABMGLMSNFXYNBZ-AWEZNQCLSA-N 368.462 3.686 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)cc2)n1 16966124 ZBKGKLUSFLLWCR-UHFFFAOYSA-N 374.444 3.634 0 40 FHAB CC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccccc3Br)C(=O)[C@H]21 17073887 XZKPWLYCANZKAH-OXUXUCFPSA-N 358.235 3.707 0 40 FHAB Cc1nc(C[C@H](NC(=O)C2CCCCC2)c2ccc(Cl)cc2)cc(=O)[nH]1 19285293 RSKCMXSKOMPEJU-SFHVURJKSA-N 373.884 3.712 0 40 FHAB Cc1nccn1C[C@H](C)C(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C 19287752 CMZANBKOEOYXAK-YWZLYKJASA-N 371.481 3.502 0 40 FHAB Cc1cnccc1C(=O)Nc1nc2ccc(CN(C)C3CC3)cc2s1 617865327 BMNSHSZOKAJUFJ-UHFFFAOYSA-N 352.463 3.846 0 40 FHAB CCOc1ccccc1NC(=O)CCN1C(=O)CSc2ccccc21 5404679 NIWCDYGALBXYEA-UHFFFAOYSA-N 356.447 3.553 0 40 FHAB CC(C)(C)OC(=O)CSc1nc2sccc2c(=O)n1-c1ccccc1 6907285 UWYQKPDKNGERKT-UHFFFAOYSA-N 374.487 3.881 0 40 FHAB COc1ccccc1CN(C)C(=O)c1ccccc1NC(=O)c1ccco1 23594505 VJEJKAITSCVUKJ-UHFFFAOYSA-N 364.401 3.813 0 40 FHAB Cc1cc(Nc2ncc(C)s2)nc([C@@H]2CCN(Cc3cccnc3)C2)n1 2037835926 KYRXQGBAWSWGMA-MRXNPFEDSA-N 366.494 3.678 0 40 FHAB O=C(NCc1cccc(C(F)(F)F)c1)c1cc2ccc(Cl)cn2n1 2037838730 YXZJEWAAZZSWKV-UHFFFAOYSA-N 353.731 3.937 0 40 FHAB O=C1CO[C@@]2(CCCN(Cc3cccs3)CC2)CN1c1cccc(F)c1 2037841180 ZHPNQMOZRZOQEM-HXUWFJFHSA-N 374.481 3.675 0 40 FHAB CCOc1ccc(-c2cn3c(CC(=O)NC(C)(C)C)csc3n2)cc1 5146907 JAUPCSMDZMYRRQ-UHFFFAOYSA-N 357.479 3.919 0 40 FHAB Cc1ccc(-n2nnnc2CNC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 17052213 FGGVRFZVADVMHS-UHFFFAOYSA-N 364.453 3.590 0 40 FHAB CN(C)c1cccc(C(=O)NCc2ccc([C@H](O)c3ccccc3)s2)c1 207969472 STDZBMABNUFFPN-HXUWFJFHSA-N 366.486 3.826 0 40 FHAB COc1ccc(N2C[C@@H](c3noc(-c4ccc(C)c(C)c4)n3)CC2=O)cc1 44417499 LJGSNJIAHNMPQM-INIZCTEOSA-N 363.417 3.883 0 40 FHAB CN(CCCNc1cc(=O)oc2ccccc12)C(=O)c1cccc(F)c1 101664998 NAQCQVCSPJRWLG-UHFFFAOYSA-N 354.381 3.506 0 40 FHAB Cc1cc(C)c(S(=O)(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c(C)c1 32771265 GMLPZORZWDXDPM-SFHVURJKSA-N 363.454 3.513 0 40 FHAB C[C@H](NC(=O)CN1CCn2cccc2[C@@H]1C)c1ccc2c(c1)CCCC2 21579478 XCXQTJIWUKBRJN-IRXDYDNUSA-N 351.494 3.621 0 40 FHAB Cc1cc(C)n(-c2ccc(CCNC(=O)Cc3ccccc3F)cc2)n1 32930412 YHLZOOGILVJDNZ-UHFFFAOYSA-N 351.425 3.530 0 40 FHAB O=C(/C=C/c1cccc(Cl)c1Cl)NCc1ccc(-n2ccnc2)nc1 33042893 ZDRLDCMCUYDAJJ-FNORWQNLSA-N 373.243 3.904 0 40 FHAB Cc1nccn1-c1ncccc1CNC(=O)C1(c2cccc(Cl)c2)CC1 53181183 KXUPUNSTTKTJIG-UHFFFAOYSA-N 366.852 3.577 0 40 FHAB CC(C)Sc1ncccc1C(=O)NC1CCN(c2ccccc2)CC1 53264733 VUAMWUILQOOVRJ-UHFFFAOYSA-N 355.507 3.981 0 40 FHAB O=C(N[C@@H](Cc1ncc[nH]1)c1ccccc1)c1cc(-c2ccccc2)[nH]n1 12507651 AJWPGRMLCRPEFV-KRWDZBQOSA-N 357.417 3.514 0 40 FHAB COc1ccccc1N1C(=O)c2ccccc2N[C@@]1(C(=O)O)c1ccccc1 1068880 UYTUOMYZUMIHAB-QFIPXVFZSA-N 374.396 3.705 0 40 FHAB Cn1cc([C@@H]2SCC(O)=Nc3c2c(O)nn3C2CCCCCC2)cn1 79481670 DLRDOGPFRWKJIP-HNNXBMFYSA-N 361.471 3.642 0 40 FHAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)ccc1C 3479879 MTUQSOXATSZPJN-MRXNPFEDSA-N 374.506 3.517 0 40 FHAB CCc1ccc([C@@H](NC(=O)CCCn2cncn2)c2cccs2)cc1 54710603 QOVTWTLYFGJOBL-LJQANCHMSA-N 354.479 3.588 0 40 FHAB COc1ccc([C@@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2C)cc1OC 4909191 ICOXQZMZBCTGCW-HXUWFJFHSA-N 363.417 3.577 0 40 FHAB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NNC(=S)NCc1ccccc1 6228427 SSNLDXVLLZLBLC-UHFFFAOYSA-N 370.356 3.605 0 40 FHAB C[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 12526053 OOXDNJYGFRRTPG-OAHLLOKOSA-N 358.463 3.502 0 40 FHAB Cn1c(Cc2cccs2)nn(CN2CCc3ccccc3C2)c1=S 6985959 ZBLIGBQDDPTEQO-UHFFFAOYSA-N 356.520 3.619 0 40 FHAB CCCOc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 7598533 GVHJGSIOWPNAOZ-UHFFFAOYSA-N 365.433 3.526 0 40 FHAB Cc1cccc(OCCC(=O)NCc2ccc(N3CCCC3=O)cc2)c1C 24752001 YGQSRBPXXPAZDC-UHFFFAOYSA-N 366.461 3.516 0 40 FHAB CC1(C)Cc2cc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2O1 10298964 VVUMJUMXFQUHAV-DHDCSXOGSA-N 363.373 3.854 0 40 FHAB COc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 10464538 ZRABCOXDRAHSOV-UHFFFAOYSA-N 356.397 3.961 0 40 FHAB CCOc1ccc(-c2cc(C(F)(F)F)n(-c3cc(C)nc(N)n3)n2)cc1 1407787 NIWJHYSMEAKKHB-UHFFFAOYSA-N 363.343 3.637 0 40 FHAB CCOc1ccc(-c2nc3c(sc(=S)n3C)c(=O)[nH]2)cc1OCC 1444476 VDJVATQZXVQMGM-UHFFFAOYSA-N 363.464 3.517 0 40 FHAB CCc1ccc(NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1 8051092 DFEXDXUOBDZJGV-UHFFFAOYSA-N 374.506 3.742 0 40 FHAB CCc1ccccc1OCC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C 8128790 ZJKQYESXIOXTLR-JOCHJYFZSA-N 369.461 3.913 0 40 FHAB O=c1c2cc(Cl)ccc2ncn1Cc1ccc(OC(F)(F)F)cc1 26399957 AIPNZNHHBMTISY-UHFFFAOYSA-N 354.715 3.997 0 40 FHAB O=C(CSc1ccccc1F)NC[C@H](c1ccco1)N1CCCCC1 26407730 DBYXXPCUKBTJRG-MRXNPFEDSA-N 362.470 3.854 0 40 FHAB Cc1sc2ncnc(N3CCC(C(=O)NC4CCCC4)CC3)c2c1C 26537533 JNEGZVVRQKRDCZ-UHFFFAOYSA-N 358.511 3.583 0 40 FHAB CCNC(=O)[C@@H](C)Nc1nc(-c2cccs2)nc2sc(C)c(C)c12 12685695 LVNLYEBOIQSRGE-SNVBAGLBSA-N 360.508 3.973 0 40 FHAB CCn1cc(C(=O)NCc2ccc(OC)cc2)c(=O)c2cc(Cl)ccc21 22234851 VPLUEVLMHOVMTE-UHFFFAOYSA-N 370.836 3.613 0 40 FHAB Cc1nn(CCC(=O)NCc2ccccc2Cl)c(C)c1Br 27969332 JZNMXLYIKKLZQO-UHFFFAOYSA-N 370.678 3.622 0 40 FHAB CCOc1ccccc1OCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12627524 ZJTQMYBXOQYPCT-QGZVFWFLSA-N 365.433 3.704 0 40 FHAB COc1ccc(CN(Cc2ccccc2)Cc2nnnn2C(C)(C)C)cc1 57614055 WPVVCBVTKVYQRN-UHFFFAOYSA-N 365.481 3.639 0 40 FHAB O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)NCc1ccco1 9140898 DZEJJLFLTWMKLB-GQCTYLIASA-N 355.246 3.791 0 40 FHAB Cc1nc(CCNC(=O)c2sc(-c3ccc(F)cc3)nc2C)cs1 58154116 NOCVOMRQFVHXHK-UHFFFAOYSA-N 361.467 3.995 0 40 FHAB CCO[C@@H]1C[C@@H](NC(=O)CCc2nc3ccccc3[nH]2)C12CCCCC2 175845131 FYSSJRUBEWSNIK-QZTJIDSGSA-N 355.482 3.740 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 20042743 IVWPJLCZKUPJAZ-ZIAGYGMSSA-N 363.841 3.700 0 40 FHAB C[C@H](OC[C@H]1CCCO1)C(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 58381707 SBXYPNPRCOQFAX-WMLDXEAASA-N 372.440 3.507 0 40 FHAB Cc1sc2ncnc(OCC(=O)N3CCCc4ccccc43)c2c1C 3387821 XXUNUSSRVUSRNC-UHFFFAOYSA-N 353.447 3.666 0 40 FHAB O=C(Cc1ccccc1Cl)NCc1cccnc1OCC(F)(F)F 36390889 GUILXYZKJPBUMI-UHFFFAOYSA-N 358.747 3.535 0 40 FHAB COc1ccc(C(=O)NCc2csc(-c3ccccc3)n2)c(OC)c1 10893748 CAHXBAZCSFQVLV-UHFFFAOYSA-N 354.431 3.757 0 40 FHAB COC(=O)Cc1c(C)c2ccc(OCc3ccccc3)c(C)c2oc1=O 2342388 NARQQCLJEZAJCO-UHFFFAOYSA-N 352.386 3.704 0 40 FHAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2C2CCCCC2)cc1 2415178 CAGQEDJVRQQLNG-UHFFFAOYSA-N 351.450 3.519 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccnn1Cc1cccs1 28403589 NVKRISZDCCLAQV-OAHLLOKOSA-N 359.426 3.928 0 40 FHAB CCOc1ncccc1C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 11480016 XMJRBAHUVOEVSK-UHFFFAOYSA-N 359.769 3.541 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(F)cc2Cl)c1C 3587840 GNKADWDBXLCDQV-UHFFFAOYSA-N 351.761 3.666 0 40 FHAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)N[C@@H](C)c2ccccc2)c1 12910703 ALPMVARFXLZYFH-JXFKEZNVSA-N 368.477 3.718 0 40 FHAB O=C(CSc1ccc2c(c1)OCCO2)Nc1ccccc1OC(F)F 5018518 GKBZSZRWSLORLI-UHFFFAOYSA-N 367.373 3.790 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccnc2)N1Cc1ccco1 4295370 XGFYBBOJZHFEPF-SFHVURJKSA-N 358.353 3.526 0 40 FHAB C[C@@H](NC(=O)[C@@H]1CCCN1c1nccs1)C12CC3CC(CC(C3)C1)C2 84633283 IUIPDKNSRZBQBY-GWNJHRMDSA-N 359.539 3.833 0 40 FHAB O=C(Cn1nnc(-c2ccccc2)n1)N(c1ccccc1)C1CCCCC1 4549142 YQAUFJHUMSBCLE-UHFFFAOYSA-N 361.449 3.706 0 40 FHAB COC(=O)c1ccc(COc2ccccc2C(=O)NCc2ccccc2)o1 5404555 UBCZMRMUYIDAPS-UHFFFAOYSA-N 365.385 3.575 0 40 FHAB C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc12)c1nnc(-c2cccs2)o1 6649839 WGOMAQMVYIWLTJ-JTQLQIEISA-N 367.386 3.558 0 40 FHAB N#C[C@H](C(=O)CCl)c1nc(-c2ccc(Br)cc2)cs1 5715795 JJVGFGBVTLKNMZ-SNVBAGLBSA-N 355.644 3.988 0 40 FHAB O=c1c2oc3ccccc3c2ncn1Cc1cc(Cl)c2c(c1)OCCO2 6850703 SQARHSASQRGBQA-UHFFFAOYSA-N 368.776 3.616 0 40 FHAB C[C@H]1C[C@@H](CC(=O)NCCc2n[nH]c(=S)n2C2CC2)CC(C)(C)C1 67078392 IHXIGXIVPARNNU-STQMWFEESA-N 350.532 3.787 0 40 FHAB CCCCC[C@@H](O)CC[C@H]1[C@@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 15111073 DPOINJQWXDTOSF-MTNOOBJLSA-N 356.503 3.699 0 40 FHAB Cc1ccc(OS(=O)(=O)c2ccc(Cl)nc2)c(Br)c1 16090608 QEEXSMIZSNQXNN-UHFFFAOYSA-N 362.632 3.574 0 40 FHAB O=C(N[C@@H](c1ccccc1)c1cccs1)[C@@H]1COc2ccccc2O1 7739233 WLOVKKBFWDXTEW-HKUYNNGSSA-N 351.427 3.794 0 40 FHAB COc1ccc(CC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1F 8125017 WGCWODGKSWKSOW-NRFANRHFSA-N 373.424 3.662 0 40 FHAB CN(Cc1ccc(Cl)cc1)Cc1cc(=O)n2c3c(sc2n1)CCCC3 8393184 ZFULIAAYDRKXMX-UHFFFAOYSA-N 373.909 3.920 0 40 FHAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(Cl)cc1 17958985 JFQUNVJAJHKNTN-SNVBAGLBSA-N 373.808 3.827 0 40 FHAB COC(=O)[C@H](CC(C)C)NCc1ccc(OCc2csc(C)n2)cc1 97164441 KMVOUSOFUGVGKB-SFHVURJKSA-N 362.495 3.708 0 40 FHAB CC(C)n1cc(C(=O)NCCn2ccc3ccccc32)c2ccccc2c1=O 72400553 HGTATOOTOKIJHT-UHFFFAOYSA-N 373.456 3.967 0 40 FHAB C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)CCc1ccncc1 95982824 JVRDHKZTBLBBCE-GFCCVEGCSA-N 352.265 3.890 0 40 FHAB CCCCCC(=O)Nc1ccc(N2CCN(C(=O)CC)CC2)c(Cl)c1 408629066 KSIGXMHECQOFNA-UHFFFAOYSA-N 365.905 3.917 0 40 FHAB Cc1ccc2nc(NC(=O)[C@H](C)NC(=O)OCc3ccccc3)sc2c1 408739120 XTIWESXWUGLTIA-ZDUSSCGKSA-N 369.446 3.858 0 40 FHAB c1csc(-c2cnc(NC[C@@H]3COCCO3)nc2-c2ccsc2)c1 72342896 ZXRGWFXPUKQJOC-CYBMUJFWSA-N 359.476 3.761 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2ccccc2OC)c1 219497593 URXCLTHBKWDDQA-AWEZNQCLSA-N 357.406 3.586 0 40 FHAB CSCc1cccnc1C(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 565864130 INUKRKGDUVTSAB-KSSFIOAISA-N 360.454 3.591 0 40 FHAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1nc(-c2ccc(C)cc2)no1 219318863 ZBXMQVBDLXILJP-GOSISDBHSA-N 365.433 3.827 0 40 FHAB COc1ccc(CNC(=S)Nc2ccc(C)cc2C)c(OC)c1OC 44252135 PULHTDOJJSPPQX-UHFFFAOYSA-N 360.479 3.816 0 40 FHAB O=C(COCCOc1ccccc1)Nc1nc(-c2ccc(F)cc2)cs1 40128888 IMXBSMISEVDQCE-UHFFFAOYSA-N 372.421 3.983 0 40 FHAB Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1cc2cc(F)ccc2s1 328994580 WBCPXLTUJJNSPL-CQSZACIVSA-N 359.426 3.594 0 40 FHAB O=C(NCC1([C@H]2CCCCO2)CCC1)c1cc(Br)cs1 1587286874 HRZFJWLDYOGRHE-CYBMUJFWSA-N 358.301 3.980 0 40 FHAB CSc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccccc2C1 223438879 HWDUBSRMGLVECP-UHFFFAOYSA-N 353.896 3.809 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 224119993 XLGCQEUJRXHPOJ-NRFANRHFSA-N 366.505 3.871 0 40 FHAB COC[C@@H](C)Oc1ccc(NC(=O)C(C)(C)Br)cc1Cl 225595836 DSNSAXWDSAAKNW-SECBINFHSA-N 364.667 3.866 0 40 FHAB Cc1cc(C)c(S(=O)(=O)NCCOc2ccccc2Cl)c(C)c1 223853937 OGSRWRONCROWJN-UHFFFAOYSA-N 353.871 3.623 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)cc1C 224121561 BVRJSBVCARSBMR-IBGZPJMESA-N 367.489 3.935 0 40 FHAB CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2F)cc1 223369585 SPXOBHMCBKISSY-UHFFFAOYSA-N 351.399 3.667 0 40 FHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1ccc(C)c(C)c1 225286990 SQRULTCZDAPBMN-UHFFFAOYSA-N 371.433 3.679 0 40 FHAB CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224965787 KZFKOBCSJQNRPQ-UHFFFAOYSA-N 361.797 3.842 0 40 FHAB COc1cc2c(cc1OC)C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O 91302762 ZLVHLKCLZIAUKY-UHFFFAOYSA-N 361.438 3.559 0 40 FHAB C[C@@H]1[C@@H](NC[C@@H](O)COCCOc2ccc(Cl)cc2)CCC[C@H]1C 245228302 OSISLWGQAJWPLM-GFIVTLFCSA-N 355.906 3.511 0 40 FHAB c1cc(CN2CCC[C@@H](Cc3cncc(-c4ncc[nH]4)n3)C2)c2cc[nH]c2c1 257213620 CIJJMZQLZCTXFQ-INIZCTEOSA-N 372.476 3.803 0 40 FHAB CCCCC(=O)N1CCC[C@H](N2CCc3cc(OC)c(OC)cc3[C@H]2C)C1 253588958 BPMSWIXPPOYMTI-AEFFLSMTSA-N 374.525 3.804 0 40 FHAB c1cc(-c2cn[nH]c2)nc([C@@H]2CN(Cc3cccc4ncccc34)CCO2)c1 257290045 QBHWIWXMUZNTDF-QFIPXVFZSA-N 371.444 3.593 0 40 FHAB Cc1cccc(C(=O)N[C@H](C)C(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)c1 608553460 MXOYFCSPTQCOCQ-JFIYKMOQSA-N 354.450 3.706 0 40 FHAB O=S(=O)(NCc1cccc2[nH]ccc12)c1cc(Cl)cc(Cl)c1 1194018544 OMTZPMQAIZBZDC-UHFFFAOYSA-N 355.246 3.953 0 40 FHAB CO[C@@H]1CN(Cc2ccc(C(=O)O)cc2)CC[C@@H]1Cc1ccccc1F 585278314 BUOXBLOSYUFNQJ-UYAOXDASSA-N 357.425 3.604 0 40 FHAB Cc1nc(-c2cccc(CN=c3nc(C4CCOCC4)[nH]s3)c2)cs1 585139164 AHMNKWVPHXNSKF-UHFFFAOYSA-N 372.519 3.898 0 40 FHAB COc1ccc([C@H]2[C@@H](C(=O)N(C)C)CCC(=O)N2c2ccc(C)cc2)cc1 30806260 QWCRXVIZJJSZOX-FPOVZHCZSA-N 366.461 3.576 0 40 FHAB Cc1cc(C(=O)N2CCC(COc3cc(C4CCC4)ncn3)CC2)c(C)o1 1565523027 XSWUGQFWPSWCKF-UHFFFAOYSA-N 369.465 3.885 0 40 FHAB Cc1csc(CCNC(=O)c2cccnc2Nc2cccc(F)c2)n1 76835957 PKPQVQGDMHIIFF-UHFFFAOYSA-N 356.426 3.702 0 40 FHAB O=C(CCn1cccn1)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 40080002 KIWHEDXLLFICME-ULKQQTICSA-N 357.457 3.687 0 40 FHAB CO[C@@H](C(=O)OCc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1 83897653 JHPNDSMWRZGWDY-QGZVFWFLSA-N 362.809 3.932 0 40 FHAB COc1ccc(C(=O)N2CCN(c3ccccc3F)C[C@@H]2C)c(C)c1OC 585082521 CAIGUEASOMAGHR-AWEZNQCLSA-N 372.440 3.502 0 40 FHAB CC(=O)N(c1ccccc1)c1nc(CNc2cccc(C(N)=O)c2)cs1 679368461 HFCVTQQQTPCYRS-UHFFFAOYSA-N 366.446 3.539 0 40 FHAB CCCCC[C@](C)(O)/C=C/[C@@H]1[C](O)C[C@H](O)[C@H]1C/C=C\CCCC(=O)O 1560405350 JRGCBOGTKOYSRN-RDZWQQORSA-N 367.506 3.977 0 40 FHAB C[C@@H](Sc1ncn[nH]1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 5736626 XATRNPUTGGDANC-ZCFIWIBFSA-N 350.753 3.596 0 40 FHAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)C2CCCC2)C1 12221138 SAWVRKMYEONVBC-SFHVURJKSA-N 350.466 3.859 0 40 FHAB Cc1occc1-c1nc(N(C)CCc2ccccn2)ncc1-c1cnccn1 12222816 REGWJTMBDWAKLY-UHFFFAOYSA-N 372.432 3.576 0 40 FHAB O=C(CC1CCCC1)N1CCC[C@@H](c2nc(O)cc(-c3ccccn3)n2)C1 13267921 RJMGZTIJVZDAAR-MRXNPFEDSA-N 366.465 3.531 0 40 FHAB O=C1C[C@H](c2ccc(Cl)cc2)CN1S(=O)(=O)c1ccc(Cl)cc1 13730647 KBFCOHDGPYUCFL-LBPRGKRZSA-N 370.257 3.698 0 40 FHAB O=C(NC[C@@H]1COc2ccccc2O1)C1(c2cccc(F)c2)CCCC1 14085794 YLKSHZWHSDXCCX-QGZVFWFLSA-N 355.409 3.594 0 40 FHAB CC(C)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 16121191 NLPYWVWWEMOJRK-UHFFFAOYSA-N 372.490 3.847 0 40 FHAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc(C)cc(C)c2)cc1 16740376 GLVYAPJUYSPOMQ-OAHLLOKOSA-N 360.479 3.633 0 40 FHAB COc1ccc(C(=O)N2CC[C@@H](c3cc4ccccc4cn3)C2)c(OC)c1 19551870 SDSKZBRLQIUVMS-QGZVFWFLSA-N 362.429 3.882 0 40 FHAB O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CC(c2ccccc2Cl)=NO1 19662449 FWCSEBQTLFSNPG-GOSISDBHSA-N 366.808 3.657 0 40 FHAB CC(C)C(=O)N1CCC(CC(=O)NCC(C)(C)c2ccc(F)cc2)CC1 19748720 IAMHVVKUCOPDIJ-UHFFFAOYSA-N 362.489 3.504 0 40 FHAB CC(C)N(C(=O)CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)C(C)C 6327466 IWZIBIFEQPTABJ-DHDCSXOGSA-N 364.442 3.507 0 40 FHAB O=C1OC(c2ccccc2)=N/C1=C\c1coc2ccc(Cl)cc2c1=O 4590401 VECUWFLTPUNNLN-NVNXTCNLSA-N 351.745 3.791 0 40 FHAB biogenic CC(=O)N1CCN(Cc2ccccc2)CCCNc2cc(F)c(F)cc2C1 618017544 NDXANLSEHZDJCB-UHFFFAOYSA-N 373.447 3.631 0 40 FHAB COc1ccc(Cl)cc1COC(=O)c1ccc2c(c1)NC(=O)CS2 16756393 PWOCWUPAEOYDDR-UHFFFAOYSA-N 363.822 3.750 0 40 FHAB COc1ccc(-c2nsc(SCC(=O)NCc3ccccc3)n2)cc1 3007385 SVTQDHNNXGZASU-UHFFFAOYSA-N 371.487 3.622 0 40 FHAB O=C(c1ccc(F)c(F)c1)N1CCN=C1SCc1ccc(F)cc1 4119951 DVMAFQVUNORSJU-UHFFFAOYSA-N 350.365 3.849 0 40 FHAB CCCn1cc(C(=O)Nc2ccccc2)c2nn(-c3ccccc3)c(=O)c-2c1 9661515 AGHFOZHILFHTRH-UHFFFAOYSA-N 372.428 3.801 0 40 FHAB O=C(CSc1nc2ccccc2o1)Nc1cccc(-c2cc[nH]n2)c1 24884111 NFXZQOWSIVYABI-UHFFFAOYSA-N 350.403 3.949 0 40 FHAB CCCCn1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1cccc(Cl)c1 101113603 DLWXNSMPABARSS-HAVVHWLPSA-N 370.840 3.916 0 40 FHAB O=C(N[C@H]1CCN(c2nccs2)C1)c1ccc(-c2cccs2)cc1 206813140 NCHYMAOPUMXKMG-HNNXBMFYSA-N 355.488 3.880 0 40 FHAB O=S(=O)(C1CCCCC1)N1CCS[C@@H](c2ccccc2F)CC1 219158946 MFLRQYRHFATNNV-QGZVFWFLSA-N 357.516 3.968 0 40 FHAB O=C(NCCSCc1ccccc1)c1c[nH]nc1-c1ccc(F)cc1 10432292 UXEFQFLJEUEWRN-UHFFFAOYSA-N 355.438 3.879 0 40 FHAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(C(F)(F)F)cc1 40040503 FTUHEQJRUFTDBZ-QEJZJMRPSA-N 355.356 3.652 0 40 FHAB Cc1nc(COc2ccccc2/C=C/C(=O)N2C[C@H](C)O[C@@H](C)C2)cs1 40032224 IYEIIZIHKKTLLP-JJGIJDNGSA-N 372.490 3.680 0 40 FHAB CN(C)C(=O)N1CCC[C@@H](C(=O)N[C@H](CC(C)(C)C)c2ccccc2)C1 40134272 ZTKLPCHKPIPRFI-QZTJIDSGSA-N 359.514 3.674 0 40 FHAB CC(=O)Nc1nc(COC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cs1 101560352 DACVJGDWNGQDKW-VDQHWBOFSA-N 368.886 3.723 0 40 FHAB CC(C)N(C(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)C(C)C 102225920 CNPTWSSXTINXQG-QAQJPARQSA-N 355.906 3.753 0 40 FHAB CC(=O)Nc1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)c(C(F)(F)F)c1 21901154 RXOPVTKZWVKDAK-INIZCTEOSA-N 364.323 3.606 0 40 FHAB Cc1cc(C(=O)COC(=O)c2c(NC(=O)C3CC3)sc(C)c2C)c(C)[nH]1 22416543 QNLMKYKKRRROAH-UHFFFAOYSA-N 374.462 3.698 0 40 FHAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1C 779138 MFWXQWJIGXFKNL-UHFFFAOYSA-N 368.462 3.612 0 40 FHAB COC(=O)[C@H](C)Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 915822 UNLLGIGANTYVRJ-ZDUSSCGKSA-N 351.431 3.859 0 40 FHAB C[C@@H]1CCc2c(sc3ncnc(N(CCO)Cc4ccccc4)c23)C1 1987094 QYRKTBBAXPLUPX-CQSZACIVSA-N 353.491 3.815 0 40 FHAB COc1ccc2nc(SCC(=O)Nc3ccc(F)c(F)c3F)[nH]c2c1 2620137 NAGSWOMNHISJLE-UHFFFAOYSA-N 367.352 3.720 0 40 FHAB CCCn1cc(S(=O)(=O)CC(=O)Nc2ccc(F)cc2)c2ccccc21 2722218 IIEKVQGCPWNNNS-UHFFFAOYSA-N 374.437 3.603 0 40 FHAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCOc1ccccc1 3403282 NWLWKEQYOWAUBS-UHFFFAOYSA-N 355.825 3.643 0 40 FHAB COC(=O)c1c(NC(=O)c2ccco2)sc2c1CC(C)(C)NC2(C)C 4303118 FQRBSIMUBYNLDU-UHFFFAOYSA-N 362.451 3.539 0 40 FHAB COc1ccc([C@@H]2C[C@@H](c3ccc(C)cc3)n3ncnc3N2C(C)=O)cc1 4816555 MEBILJNXTXZQFS-PMACEKPBSA-N 362.433 3.682 0 40 FHAB O=C(NCc1ccccc1F)/C(=C/c1ccco1)NC(=O)c1ccccc1 4954058 HODLNQZKMYEFQZ-UYRXBGFRSA-N 364.376 3.506 0 40 FHAB Cc1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c(C)c1 5188422 OXBRTQHBGISDJL-KRWDZBQOSA-N 351.450 3.847 0 40 FHAB Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)N3CCc4ccccc43)n2)cc1 5211027 FWJROBQUZBLHEL-CQSZACIVSA-N 364.474 3.850 0 40 FHAB Cc1nccn1C[C@@H](O)COc1ccc2ccccc2c1Br 5613022 SOLZJAGDTRPVDG-CQSZACIVSA-N 361.239 3.547 0 40 FHAB CCCC[C@@H]1C[C@@](C)(C(=O)CSc2nc(-c3ccccc3)n[nH]2)OC1=O 5849711 QYUGBJNYJPZQLB-KUHUBIRLSA-N 373.478 3.645 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(Br)cc1 5965424 GIBOWFLQUBZMAS-LLVKDONJSA-N 350.212 3.864 0 40 FHAB Nn1c(SCCOc2ccc(F)cc2)nnc1-c1ccccc1Cl 6609350 RPTGADZNXOEZLH-UHFFFAOYSA-N 364.833 3.623 0 40 FHAB Cc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c(C)c1 7050189 YSBIJGYAOSFOTL-KRWDZBQOSA-N 369.490 3.837 0 40 FHAB Cc1ccc(C)c(C(=O)Cn2nnc(-c3ccc(Br)cc3)n2)c1 7148616 IOOBMOKPLDOCOR-UHFFFAOYSA-N 371.238 3.602 0 40 FHAB O=S(=O)(NCC(c1ccccc1)c1ccccc1)c1ccc(F)cc1 7310225 CEIJKMSVMOUHTE-UHFFFAOYSA-N 355.434 3.936 0 40 FHAB O=C1c2ccccc2N[C@@H](c2ccccn2)N1Cc1ccc2c(c1)OCO2 7885226 LNHZBMISGBOLIT-HXUWFJFHSA-N 359.385 3.577 0 40 FHAB CCN(CC)C(=O)CN(C)c1ncnc2scc(-c3ccc(C)cc3)c12 7979870 KAPIKEZJNNCMIM-UHFFFAOYSA-N 368.506 3.971 0 40 FHAB COC(=O)c1cc(NC(=O)COc2ccc(Cl)cc2)ccc1Cl 8092191 DIAOMBSVFKWMIU-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)C(=O)c1ccc(F)cc1 8716345 MOYFPTGKNYPHHC-GHMZBOCLSA-N 373.405 3.687 0 40 FHAB C[C@H]1C(=O)Nc2ccc(-c3csc(NC(=O)c4ccccn4)n3)cc21 8940742 HNUSZYUMQOAWLN-SNVBAGLBSA-N 350.403 3.513 0 40 FHAB Cc1cc(C(=O)COc2ccc(NC(=O)c3ccco3)cc2)c(C)n1C 9313911 CJFUNOZKJRXQEH-UHFFFAOYSA-N 352.390 3.749 0 40 FHAB CN1CCCN(C(=O)Cc2ccccc2Cl)c2nc3ccccc3nc21 9446274 FNJOABRLRONDNM-UHFFFAOYSA-N 366.852 3.699 0 40 FHAB CN(C)[C@H](CNc1ncnc2c1cnn2-c1ccccc1)c1ccccc1 9513526 JJGBOKNBQZQSKO-LJQANCHMSA-N 358.449 3.530 0 40 FHAB COc1ccc2cc(C(=O)N(C)CC(=O)Nc3cccc(F)c3)ccc2c1 9986444 YNUYEISZHQSUSL-UHFFFAOYSA-N 366.392 3.698 0 40 FHAB O=c1c2ccccc2n(Cc2ccccc2)c(=O)n1-c1ccc(Cl)cc1 10338861 CHWZEKSSBREJJF-UHFFFAOYSA-N 362.816 3.854 0 40 FHAB Cc1ccc(-c2nnc(SCCOc3c(C)cccc3C)n2N)cc1 10784999 SVVRUINJAFZTHQ-UHFFFAOYSA-N 354.479 3.755 0 40 FHAB CCOc1ccc2nc(NC(=O)Cc3ccc4c(c3)CCO4)sc2c1 11327760 KUMVYEVBPRNMQQ-UHFFFAOYSA-N 354.431 3.811 0 40 FHAB CCCc1cc(=O)[nH]c(S[C@@H](C)C(=O)Nc2ccccc2SC)n1 11443509 LIROAMZXQDPLHF-NSHDSACASA-N 363.508 3.564 0 40 FHAB C[C@@H]1Oc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2N(C)C1=O 12168245 AJGFUPIQXHPESO-ZDUSSCGKSA-N 352.434 3.980 0 40 FHAB Cc1cc(C)n(CCC(=O)N[C@@H](Cc2cccs2)c2nccs2)n1 12225738 ZRIRRQDDWZYDFE-HNNXBMFYSA-N 360.508 3.508 0 40 FHAB C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCC[C@@H]1c1cccs1 12533897 JSLVRTSJDMQJMU-PKOBYXMFSA-N 369.534 3.622 0 40 FHAB CC(C)Cc1noc(CSc2nc3ccccc3c(=O)n2CC(C)C)n1 12758640 YRNDFMVHQWZVQE-UHFFFAOYSA-N 372.494 3.926 0 40 FHAB CCc1cc2c(CN(C)CCOc3ccc(C)cc3)cc(=O)oc2cc1O 12855419 OMWWJHPOQHRQBV-UHFFFAOYSA-N 367.445 3.880 0 40 FHAB Cc1ccc(-n2nc(C)cc2NC(=O)CN(C)Cc2cccc(F)c2)cc1 12906387 OZUFIYXUGMCLAF-UHFFFAOYSA-N 366.440 3.699 0 40 FHAB NC(=O)C1CCN(Cc2cc(-c3ccccc3)cnc2-c2ccncc2)CC1 13267203 OSCOGDVPOUVQCQ-UHFFFAOYSA-N 372.472 3.508 0 40 FHAB COCC(=O)N(Cc1cc2cc(C)ccc2nc1O)c1cccc(C)c1 13479868 GOAONRMXJDPIMC-UHFFFAOYSA-N 350.418 3.737 0 40 FHAB Cc1cc(C)c([C@@H](C)NC(=O)CSc2nnc3ccccn23)cc1C 14108607 CYAONTVADOIUEH-OAHLLOKOSA-N 354.479 3.624 0 40 FHAB CCN(CC)C(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 14834665 CQRKQNCFTZGZLI-INIZCTEOSA-N 354.450 3.883 0 40 FHAB COC(=O)c1ccc(CS[C@@H](C)C(=O)NCc2ccc(F)cc2)cc1 15490349 KQCKPRYRKYZBSU-ZDUSSCGKSA-N 361.438 3.550 0 40 FHAB CCCc1cc(=O)[nH]c(SCc2nc(-c3cccc(Cl)c3)no2)n1 16048669 CXSHCNZOQVVXBL-UHFFFAOYSA-N 362.842 3.718 0 40 FHAB FC(F)(F)c1cc(N2CCNCC2)c2cc(Cl)cc(Cl)c2n1 16158438 GANUKJJMANECSN-UHFFFAOYSA-N 350.171 3.970 0 40 FHAB Cc1ccc(-c2nc(Cn3nnc(-c4cccc(F)c4)n3)cs2)cc1 19064425 PSQMBMIAJVDXEM-UHFFFAOYSA-N 351.410 3.959 0 40 FHAB CCCNC(=O)c1cc([C@H]2CCCN(Cc3ccc(Cl)cc3)C2)no1 19503681 QFXGBGHQXQRGOM-HNNXBMFYSA-N 361.873 3.847 0 40 FHAB CC[C@@H](C)c1ccccc1OC[C@@H](O)CN1CCN(c2ccccc2)CC1 20807188 LQTRZGRKWASDLG-CTNGQTDRSA-N 368.521 3.762 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)Cc1csc(-c2ccco2)n1 22963652 SICBUWDDAQZXRT-UHFFFAOYSA-N 369.446 3.724 0 40 FHAB O=C(CN1CCc2ccccc21)Nc1ccc2c(c1)OC1(CCCC1)O2 24926543 SAKLLBLQPJRJRM-UHFFFAOYSA-N 350.418 3.729 0 40 FHAB Cc1ccc(OC[C@H](O)CN(CCO)Cc2ccccc2)c(C(C)(C)C)c1 27531061 IKQSZGYUGSPOJM-HXUWFJFHSA-N 371.521 3.527 0 40 FHAB O=C(NCCCOC1CCCCC1)c1ccc(N2CCCCC2=O)cc1 31498133 AXGQYLOIJDNSPK-UHFFFAOYSA-N 358.482 3.673 0 40 FHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc3c(c2)CCO3)c1 32454088 HNXNFLKTGZYJNR-SFHVURJKSA-N 353.418 3.616 0 40 FHAB CNC(=O)c1ccc(CNC(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)cc1 32795304 ZUXBHOFAGWYCTE-SFHVURJKSA-N 373.884 3.896 0 40 FHAB Cc1cc2nc(C3CCN(CC(=O)N4CCCCCC4)CC3)[nH]c2cc1C 35292241 YBGOKSIFOGZCJC-UHFFFAOYSA-N 368.525 3.762 0 40 FHAB Cc1ccc(C(=O)NC2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1 35311802 GPOJWHIUPHASKN-UHFFFAOYSA-N 351.450 3.730 0 40 FHAB COc1cccc2c(SCC(=O)NCCc3ccccc3)nccc12 36708189 JHFQJESCSBAECY-UHFFFAOYSA-N 352.459 3.694 0 40 FHAB Cc1ccc(C)c(C(=O)[C@H](C)OC(=O)c2ccc3c(c2)CCC(=O)N3)c1 40012708 LIDYUJQBWVFTRB-AWEZNQCLSA-N 351.402 3.616 0 40 FHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H](C)CCc1ccccc1 40068695 PQPAMFVQTLCRIA-INIZCTEOSA-N 354.450 3.968 0 40 FHAB CS(=O)(=O)/N=C(\O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 42279480 YGDUJYUUGNGZEQ-UHFFFAOYSA-N 359.325 3.762 0 40 FHAB COc1cccc(-c2ccc(=O)n(Cc3ccccc3Br)n2)c1 44891716 HVFZPUULMILUCJ-UHFFFAOYSA-N 371.234 3.730 0 40 FHAB O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)N1CCc2ccccc2C1 47580869 AHYWCEOYNIBHJV-FQEVSTJZSA-N 352.434 3.835 0 40 FHAB C/C=C/c1cc(C(=O)Nc2cccnc2N2CCCC2)cc(OC)c1OC 48236026 KNYCPRWBJMGRCQ-XBXARRHUSA-N 367.449 3.984 0 40 FHAB CCn1c(CNC2CCN(C(=O)C3CCCCC3)CC2)nc2ccccc21 54174820 MIBNNGMHZCNKRP-UHFFFAOYSA-N 368.525 3.717 0 40 FHAB COCC(=O)Nc1ccc(NC(=O)C(C)(C)c2ccc(Cl)cc2)cc1 55177426 YCKLLFJIYLSBHP-UHFFFAOYSA-N 360.841 3.841 0 40 FHAB Cc1ccccc1C1(CNC(=O)CCC(=O)c2cccs2)CCOCC1 55760531 RJLPFXOOMZYSAV-UHFFFAOYSA-N 371.502 3.884 0 40 FHAB CCCn1c(SCC(=O)Nc2cccc(C)c2)nc2ccsc2c1=O 57425183 PJDTZICWHDJXOJ-UHFFFAOYSA-N 373.503 3.907 0 40 FHAB O=C(Nc1ccc2c(c1)C(=O)NC2)c1csc(-c2cccc(Cl)c2)n1 57560538 STBDGYKTVGXCHV-UHFFFAOYSA-N 369.833 3.959 0 40 FHAB C[C@@H](N[C@H](C)c1ccc(Cl)cc1)C(=O)NC(=O)NC1CCCCC1 57679523 GQCDOMQAWPVHTN-CHWSQXEVSA-N 351.878 3.538 0 40 FHAB O=C(NCc1ccc(-n2ccnc2)cc1)c1cc(F)cc(Br)c1 58161067 QUWVDVPTXHKICX-UHFFFAOYSA-N 374.213 3.704 0 40 FHAB CC(C)N1CCC(NC(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)CC1 69509838 ZWLOLAKSSBRXQF-UHFFFAOYSA-N 369.387 3.669 0 40 FHAB C[C@]1(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)CC1(Cl)Cl 69515615 JHDNGTONKWZGGJ-MRXNPFEDSA-N 352.265 3.853 0 40 FHAB O=C(NCc1ccc(F)cc1)c1cn[nH]c1-c1cccc(Br)c1 72329055 NCTLWLNOPAHQMK-UHFFFAOYSA-N 374.213 3.908 0 40 FHAB CCN1CCC[C@H]1CNc1ncc(-c2cc(C)no2)c(-c2ccc(C)o2)n1 72340117 WUUMNUCJLPRFHG-HNNXBMFYSA-N 367.453 3.905 0 40 FHAB c1csc(-c2cnc(NC[C@H]3COCCO3)nc2-c2ccsc2)c1 72342897 ZXRGWFXPUKQJOC-ZDUSSCGKSA-N 359.476 3.761 0 40 FHAB CC(C)c1nccn1-c1nccnc1[C@H]1CCCN(Cc2ccccn2)C1 72350570 JJNUQKMQKMDWHM-KRWDZBQOSA-N 362.481 3.560 0 40 FHAB COc1cccc(Cc2cccc([C@@H]3CCCN3Cc3cnn(C)c3)n2)c1 72358129 XEYQAETWEXXLJU-QFIPXVFZSA-N 362.477 3.752 0 40 FHAB CCc1ccc(-c2nsc(NC(=O)COc3ccc(OC)cc3)n2)cc1 72427646 IKLIUJDXWXNUQM-UHFFFAOYSA-N 369.446 3.794 0 40 FHAB CCOC(=O)CSc1cncc(NCc2cccc(C(F)(F)F)c2)n1 79057917 LGCFHLPAOUZEAF-UHFFFAOYSA-N 371.384 3.763 0 40 FHAB Cc1ccc(N2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)nn1 84191760 VKLYHPQLPFNLAS-UHFFFAOYSA-N 371.794 3.569 0 40 FHAB Cn1cc(-c2cccs2)nc1CCNC(=O)CCSc1ccccc1 90606953 FTJXDXLAOUEOPW-UHFFFAOYSA-N 371.531 3.990 0 40 FHAB CCCOc1ccc(NC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)cc1Cl 95458172 KGUKFIGRPPIEMX-KDOFPFPSSA-N 368.861 3.588 0 40 FHAB Clc1ccc2ccc(N3CCN(c4cnccn4)CC3)nc2c1Cl 95462944 AIIYWRWQEDRHCV-UHFFFAOYSA-N 360.248 3.658 0 40 FHAB CCCN(C)c1ccc(C(=O)N2CCC(Oc3cccc(C)n3)CC2)cc1 95465431 QVKQQWCNKFUMKF-UHFFFAOYSA-N 367.493 3.920 0 40 FHAB COc1ccc(-c2noc(Cc3ccc(F)c(Br)c3)n2)cn1 95955940 ZQBZGKLNGYPIRJ-UHFFFAOYSA-N 364.174 3.633 0 40 FHAB CN1C(=O)C[C@@H](c2ccccc2)C12CCN(Cc1ccc(F)cc1)CC2 96061439 QMLFRBVPKGGRHG-FQEVSTJZSA-N 352.453 3.806 0 40 FHAB COC(=O)N1CCc2ccc(NC(=O)CCc3ccccc3F)cc2C1 96103691 IVRAWXNRGQOMKQ-UHFFFAOYSA-N 356.397 3.522 0 40 FHAB COC(=O)C[C@H](c1oc(C)cc(=O)c1O)c1ccc(OC)c2ccccc12 96114368 MUOAEPYMAHLFGI-INIZCTEOSA-N 368.385 3.511 0 40 FHAB biogenic Cc1ccc(-c2nc(CN3CCN(Cc4csc(C)n4)CC3)co2)cc1 97601807 UWJXFISHHCQHIQ-UHFFFAOYSA-N 368.506 3.733 0 40 FHAB Cc1ccnn1C[C@H](C)c1cc(O)n2nc(-c3ccc(F)cc3)cc2n1 100775905 QOQNKRFUEALHBE-LBPRGKRZSA-N 351.385 3.550 0 40 FHAB Cc1nn(CCC(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c(C)c1Br 101616428 NETKLWUSJJMSHT-QZKOUSHUSA-N 368.319 3.593 0 40 FHAB O=C(NC1CCN(C2CC2)CC1)c1ccc(-c2ccc(F)cc2)cc1F 106011593 KKPMUZPJHWIYRF-UHFFFAOYSA-N 356.416 3.988 0 40 FHAB Cc1ccc(C)c(O[C@@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)c1 219078173 GSUAEYXNTGYMCY-AWEZNQCLSA-N 371.462 3.841 0 40 FHAB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3cccnc3)C2)n1 220808382 DFKYHLVACJDNIL-MRXNPFEDSA-N 362.433 3.535 0 40 FHAB COC(=O)c1ccccc1NC(=O)c1cnc(-c2ccc(Cl)cc2)nc1 222606628 LAKVBJKBKHMLKP-UHFFFAOYSA-N 367.792 3.836 0 40 FHAB Cc1cccc(OCC(=O)NCc2cccc(CN3CCCCC3)c2)c1C 224696571 DNGXBLIGNDGCKD-UHFFFAOYSA-N 366.505 3.985 0 40 FHAB COc1cccc2cc(C(=O)NCCn3ccc(-c4ccsc4)n3)oc12 225577794 ICPXGMJDYFBPGF-UHFFFAOYSA-N 367.430 3.796 0 40 FHAB CCc1cccc(C)c1NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 243316882 LKZATIOVXQFQKI-UHFFFAOYSA-N 374.506 3.579 0 40 FHAB O=C(Nc1ccccc1F)C1CCN(C(=O)c2cccc(Cl)c2)CC1 244227202 WDIIUGCAEMHGBA-UHFFFAOYSA-N 360.816 3.970 0 40 FHAB Cc1ccc2nsnc2c1NC(=S)NC(=O)/C=C/c1ccccc1 408576180 VOSFRRBFMZQYFK-CSKARUKUSA-N 354.460 3.526 0 40 FHAB CCn1cc(C(=O)Nc2cc(C)ccc2OC)c(=O)c2cc(C)ccc21 408713467 ZWMQIALEFVYSLN-UHFFFAOYSA-N 350.418 3.899 0 40 FHAB COC(=O)C(=Cc1cc(Cl)c(OCC(C)C)c(Cl)c1)C(=O)OC 409045268 FYRQBWLCPBNJCE-UHFFFAOYSA-N 361.221 3.758 0 40 FHAB O=C(O)CN1C(=O)S/C(=C/c2ccc(Sc3ccccc3)o2)C1=O 409138076 ZQHJJTJZLXUVHX-XYOKQWHBSA-N 361.400 3.552 0 40 FHAB C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC2(CCCCC2)C1 521601861 JVFUXYBCBJSJLR-AZUAARDMSA-N 355.526 3.873 0 40 FHAB O=C(O)c1c[nH]c2ncc(-c3cc(F)ccc3OC[C@H]3CCCO3)cc12 569709314 ASMWYJDNRXOKCG-CYBMUJFWSA-N 356.353 3.625 0 40 FHAB O=C(/C=C/c1cccs1)NCc1nc(C2CCC(F)(F)CC2)no1 575618095 ZDZBNEPSQWJNLD-ONEGZZNKSA-N 353.394 3.754 0 40 FHAB CC(C)c1noc2ncc(C(=O)Nc3cnn(Cc4ccccc4)c3)cc12 617177756 HVZHOZHDQSJVRB-UHFFFAOYSA-N 361.405 3.843 0 40 FHAB COc1ccc(N(CCC(C)C)C(=O)[C@@H]2CNC(=O)c3ccccc32)cc1 626778487 NYANGYYJKZPHHQ-HXUWFJFHSA-N 366.461 3.602 0 40 FHAB Cn1c2c(ccc1=O)[C@H](N[C@H]1CCCc3nn(-c4ccccc4)cc31)CCC2 652334362 JURNUMWANUDBCW-UXHICEINSA-N 374.488 3.616 0 40 FHAB CC[C@H](NC(=O)N1CCc2cc(Cl)nnc2C1)c1cc(F)ccc1F 1261454127 ZDPOOWOYIUKQRG-AWEZNQCLSA-N 366.799 3.627 0 40 FHAB CC(C)c1cc(N2CCO[C@@H](c3ccc(Cl)s3)C2)n2ncnc2n1 1319255474 HHPRSSWCOWAVKX-GFCCVEGCSA-N 363.874 3.541 0 40 FHAB CN1Cc2ccccc2NC2(CCN(CCc3ccccc3)CC2)CC1=O 1615529121 FPDPUHMDSTVXSS-UHFFFAOYSA-N 363.505 3.538 0 40 FHAB CC(C)(C)[C@@H](O)C(=O)Nc1ccc2ccn(Cc3ccc(CO)cc3)c2c1 1643887080 BVNHEGJVILJKCZ-FQEVSTJZSA-N 366.461 3.527 0 40 FHAB Cc1ccc(COc2ccc3c(C)c(CC(=O)O)c(=O)oc3c2C)cc1 2092835 UBOSGWLARRGJKR-UHFFFAOYSA-N 352.386 3.924 0 40 FHAB biogenic COc1ccc(S(=O)(=O)Oc2cccc(Cl)c2Cl)cc1OC 2182625 MCMXVDSUFSDAJI-UHFFFAOYSA-N 363.218 3.778 0 40 FHAB CC(C)C[C@H](NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)c1ccccc1 2360759 PDYMKULBIKQYGY-BEFAXECRSA-N 364.445 3.575 0 40 FHAB Clc1cccc(-n2ncc3c2ncn2nc(-c4cccs4)nc32)c1 2418733 LAPNZCVRWRYGOL-UHFFFAOYSA-N 352.810 3.845 0 40 FHAB Cc1cccn2c(=O)c3cc(C(=O)N[C@H]4CCC[C@H](C)[C@@H]4C)sc3nc12 2498397 LCDBOTKYKDTHSM-WHOFXGATSA-N 369.490 3.772 0 40 FHAB CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)C[C@@H](C)CC3)cc1 4071936 ZLQJYVXHVJGLIZ-NSHDSACASA-N 358.463 3.623 0 40 FHAB COc1cccc(-n2c(/C=C/c3ccccn3)nc3ccccc3c2=O)c1 4450433 YEIBOASUJWYKIS-OUKQBFOZSA-N 355.397 3.960 0 40 FHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C)o3)C2=O)cc1 4470778 IHODLHXODJDLAZ-OQLLNIDSSA-N 356.403 3.571 0 40 FHAB COc1ccc(N2C[C@@H](NC(=O)Nc3c(C)cc(C)cc3C)CC2=O)cc1 4479621 KDOIIDGNKVKNRA-INIZCTEOSA-N 367.449 3.547 0 40 FHAB CC(C)c1ccc(CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 4788082 FRFBJSOMYHRDNX-NRFANRHFSA-N 366.417 3.506 0 40 FHAB COc1ccc(NC(=O)CNc2cccc(C(F)(F)F)c2)c(OC)c1 4903838 OTWALBHPJPQMJR-UHFFFAOYSA-N 354.328 3.773 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1Cc1cccnc1 5516521 QLAPSFAGCQVRCP-FQEVSTJZSA-N 368.392 3.933 0 40 FHAB Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)NCc1ccccc1 5537853 VHMBKCIHOZNECQ-HNNXBMFYSA-N 364.401 3.512 0 40 FHAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1cccc(Cl)c1 5560086 WMDDSWCVBIJRPM-UHFFFAOYSA-N 372.833 3.641 0 40 FHAB COC(=O)c1ccc(CSc2nnc(Cc3csc(C)n3)o2)cc1 5834057 PGJCXRNVZAIUGB-UHFFFAOYSA-N 361.448 3.504 0 40 FHAB CSc1nnc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)s1 5872430 HLGQTQIKQSJLPJ-DTWKUNHWSA-N 357.501 3.757 0 40 FHAB CCCCCC(=O)NC(=S)Nc1ccc(OC)c(Br)c1 6240690 DOIIURXKPPQZSL-UHFFFAOYSA-N 359.289 3.851 0 40 FHAB CCOC(=O)CN(C(=O)COc1ccc2ccccc2c1)c1ccccc1 6463457 SREDZPRUWTWSRY-UHFFFAOYSA-N 363.413 3.815 0 40 FHAB CCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1cccc(O)c1 6752997 JDBQHWLCUSRWLP-HXUWFJFHSA-N 363.417 3.833 0 40 FHAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1 7052258 XGADOHSFTWIKOC-UHFFFAOYSA-N 358.419 3.671 0 40 FHAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1O 7113373 BQMIFLSVXUCABX-HNNXBMFYSA-N 352.312 3.530 0 40 FHAB O=C(CCc1nc(-c2cccs2)no1)OCc1cc(-c2ccco2)on1 7316922 KEAFQDGUSPGWFD-UHFFFAOYSA-N 371.374 3.722 0 40 FHAB C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc2ccccc2c1 7736570 OXAMEYOREVNPRL-AWEZNQCLSA-N 369.442 3.651 0 40 FHAB CCN(CC)Cc1ccc(CNC(=O)COc2ccc(C)c(C)c2)cc1 7828527 YNUNYJCOBZTTED-UHFFFAOYSA-N 354.494 3.840 0 40 FHAB O=C(CN1CCC[C@H]1c1nc2ccccc2s1)NCCc1ccccc1 7909943 FBYFTKWEQGRMFV-SFHVURJKSA-N 365.502 3.792 0 40 FHAB O=C(NCc1ccccc1F)c1ccc(Cn2nnc3ccccc32)cc1 7960923 SVXSOLPUKBKHIM-UHFFFAOYSA-N 360.392 3.549 0 40 FHAB Cc1cc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c(C)o1 8037978 DRYNNKZBMRZUTD-UHFFFAOYSA-N 357.435 3.595 0 40 FHAB O=C(NCCCn1cnc2ccccc21)c1cccc(Br)c1 8136154 MGABWTGJLLKDII-UHFFFAOYSA-N 358.239 3.619 0 40 FHAB Cc1[nH]c2ccc(C(=O)OCc3cc(=O)oc4cc(O)ccc34)cc2c1C 8156270 GBTXZIPNSMPVLO-UHFFFAOYSA-N 363.369 3.954 0 40 FHAB COc1ccc(-c2nc(CC(=O)OCc3ccccn3)cs2)cc1OC 8194246 TVTCHUSQKFDZDR-UHFFFAOYSA-N 370.430 3.508 0 40 FHAB CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cccnc2Cl)cc1 8449639 YNNCRICGTSSVAU-GFCCVEGCSA-N 374.824 3.758 0 40 FHAB CCCCCCn1c(O)c(C(=O)Nc2ccncc2)c(=O)c2ccccc21 8609580 MUUIWQZGZLJQHL-UHFFFAOYSA-N 365.433 3.935 0 40 FHAB CC(=O)Nc1ccc(SCC(=O)N[C@H](C)c2ccc(F)cc2F)cc1 8705665 YGBOWTKBWMZCSJ-LLVKDONJSA-N 364.417 3.893 0 40 FHAB CCNC(=O)c1cccc(NC(=O)COc2c(Cl)cccc2Cl)c1 8754713 FKNKCURSXFGWRO-UHFFFAOYSA-N 367.232 3.761 0 40 FHAB O=C(Nc1nnc(CCc2ccccc2)s1)C(Cl)(Cl)Cl 9190828 HUJZCBPETXYVNN-UHFFFAOYSA-N 350.658 3.632 0 40 FHAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc2cc(O)ccc2c1 9477864 HIYYKWPEOOAVKI-CYBMUJFWSA-N 365.385 3.738 0 40 FHAB COc1ccc(C(C)=O)cc1CC(=O)NCC12CC3CC(CC(C3)C1)C2 9909762 PHSCWRPEDBLGAU-UHFFFAOYSA-N 355.478 3.773 0 40 FHAB COc1cc(OC)cc(C(=O)NCc2csc(-c3ccccc3)n2)c1 10893749 NMNBFLPLGHKENZ-UHFFFAOYSA-N 354.431 3.757 0 40 FHAB CCc1cccc(CC)c1NC(=O)CSc1nc2c(c(=O)[nH]1)CCCC2 11903560 BRWVPLUUVCYCIO-UHFFFAOYSA-N 371.506 3.504 0 40 FHAB CCCc1cc(CNC(=O)c2cnc3cc(Cl)ccc3c2OC)on1 12147193 UAFOWEIKDFBFIT-UHFFFAOYSA-N 359.813 3.767 0 40 FHAB CC(C)C[C@@H](NC(=O)Cc1ccc(F)cc1)c1nc2cccnc2n1C 12220134 SJVCETVYXLRFAE-QGZVFWFLSA-N 354.429 3.554 0 40 FHAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N[C@@H]1CCc2ccccc21 12506917 VNYVSNVNOMXJEV-CQSZACIVSA-N 359.351 3.859 0 40 FHAB CCOc1ccc(OCCn2c([C@H](C)NC(C)=O)nc3ccccc32)cc1 12585098 WMADAIDABHZLFR-HNNXBMFYSA-N 367.449 3.711 0 40 FHAB CCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c1C 13612445 ACTRVMWWUOFFPH-ZRDIBKRKSA-N 369.417 3.841 0 40 FHAB COc1cccc(CCC(=O)Nc2ccc(CN3CCCC3)cc2)c1OC 14141769 QSBKOQFROXTMTD-UHFFFAOYSA-N 368.477 3.871 0 40 FHAB Cc1ccc(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)c(O)c1 15544226 QUCKYUWVZBZPBT-HNNXBMFYSA-N 362.838 3.796 0 40 FHAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)C(C)C)ccc2C)c1 17056199 XRCMDOCKLVXUEN-INIZCTEOSA-N 374.506 3.879 0 40 FHAB C[C@@H](C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1)n1cc(Cl)cn1 19078231 SQLMICHOTIXCOY-KBPBESRZSA-N 365.836 3.554 0 40 FHAB CNc1cc(C[C@H](NC(=O)C(C)C)c2cccc(C)c2)nc(C2CC2)n1 19234471 OLSXXXHUHOAZHR-SFHVURJKSA-N 352.482 3.760 0 40 FHAB CCC(=O)N1CCC[C@](Cc2cccc(-c3cccs3)c2)(C(=O)NC)C1 19498642 BSUQMOBUKQONLJ-OAQYLSRUSA-N 370.518 3.722 0 40 FHAB Cc1cc(C)c2nc(C)c(C(=O)N3CCC(N4CCCC4)CC3)cc2c1 19715325 YLCJXZNEDKXSKK-UHFFFAOYSA-N 351.494 3.860 0 40 FHAB O=S(=O)(c1cc(-c2ccc(Cl)nn2)ccc1Cl)N1CCCCC1 20096019 QMJNNUWRPHWBAM-UHFFFAOYSA-N 372.277 3.625 0 40 FHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CCN(Cc2ccccc2)CC1 20458869 KEPMPIFSTUZFOG-OAQYLSRUSA-N 366.505 3.805 0 40 FHAB Cc1ccc(-n2nc(C)c(NC(=O)CN3CCc4ccccc4C3)c2C)cc1 20962523 DAUJYIJQZFBKQU-UHFFFAOYSA-N 374.488 3.794 0 40 FHAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1cccc2cnccc12 21219620 MMVOJAROQICDIB-UHFFFAOYSA-N 354.793 3.841 0 40 FHAB CC(C)(C)C(=O)NC(=S)Nc1c(F)cc(F)cc1Br 21596385 GANCIDNXWMHDPP-UHFFFAOYSA-N 351.216 3.586 0 40 FHAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nn1cnc2ccccc21 22276876 CDWNVVPMKUIJPM-UHFFFAOYSA-N 350.353 3.533 0 40 FHAB Cc1nc2sc([C@H](c3ccccc3F)N3CCC[C@H](C)C3)c(O)n2n1 22626071 UIWGSIXDYDVEPO-NHYWBVRUSA-N 360.458 3.765 0 40 FHAB CCOc1ccc(NC(=O)Cc2cc(-c3ccc4c(c3)OCO4)on2)cc1 23127323 OMJJXKRPECZNIE-UHFFFAOYSA-N 366.373 3.650 0 40 FHAB C[C@@H](Sc1nnc2ccc(C(F)(F)F)cn12)C(=O)NC1CCCCC1 24142959 HCDGHGSAZFOBHB-SNVBAGLBSA-N 372.416 3.678 0 40 FHAB CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 25091249 YPQJEHBIUUOYGI-IRXDYDNUSA-N 356.466 3.675 0 40 FHAB O=C(Nc1cccc(Cn2ccnc2)c1)c1ccccc1Br 25263882 ZVGPUNKCGOYVID-UHFFFAOYSA-N 356.223 3.946 0 40 FHAB Cc1cc(-n2c(C)cc(-c3csc(CCN4CCCC4=O)n3)c2C)no1 30447835 BAEMOLPMWJXEPE-UHFFFAOYSA-N 370.478 3.679 0 40 FHAB COc1ccc([C@H]2[C@H](C(=O)N(C)C)CCC(=O)N2c2ccc(C)cc2)cc1 30806265 QWCRXVIZJJSZOX-CTNGQTDRSA-N 366.461 3.576 0 40 FHAB COC(=O)c1cc(NC(=O)COc2ccccc2Cl)ccc1Cl 31054700 AMLXTBMXCJOIDU-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB O=C(COc1ccccc1)Nc1ccc(-c2nc3cnccc3o2)c(O)c1 32095653 YTLVDSSTMUUROP-UHFFFAOYSA-N 361.357 3.613 0 40 FHAB O=S(=O)(Nc1nn(Cc2ccccc2F)cc1Cl)c1cccs1 32610008 GNCNKRARTJLDDC-UHFFFAOYSA-N 371.846 3.586 0 40 FHAB CC(C)C[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccccc1 32721490 PRBMZGHSCDJDEW-IBGZPJMESA-N 364.445 3.857 0 40 FHAB CC(=O)c1cc(CCC(=O)Nc2nc(-c3ccccn3)cs2)oc1C 32784679 XDSYNMIHXISFFP-UHFFFAOYSA-N 355.419 3.880 0 40 FHAB COc1cccc(OCCNC(=O)c2cc3cc(C)ccc3nc2C)c1 32797080 GKCUELVHSOKLHJ-UHFFFAOYSA-N 350.418 3.669 0 40 FHAB CN(CCO)c1ncnc2cc(-c3ccc(Br)cc3)sc12 32806197 IBYVCPWSZZKOFV-UHFFFAOYSA-N 364.268 3.549 0 40 FHAB C[C@H](NC(=O)c1cc2c(s1)CCCCCC2)c1nnc2ccccn12 32809140 NJEKZRGWUDRLCF-ZDUSSCGKSA-N 354.479 3.941 0 40 FHAB CC[C@H](CNC(=O)[C@]12CCC(=O)N1c1ccccc1S2)c1ccccc1 32845073 LSWQGGJOWSXQCI-QVKFZJNVSA-N 366.486 3.925 0 40 FHAB CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc3oc(C4CC4)nc3c2)CC1 33214373 QEORTJDMVXBLLN-UHFFFAOYSA-N 369.465 3.928 0 40 FHAB CCOc1ccc(NC(=O)COc2ccccc2-c2noc(CC)n2)cc1 33325211 SBQVYVKPPJNHFF-UHFFFAOYSA-N 367.405 3.715 0 40 FHAB O=S(=O)(Oc1ccc(Oc2ccccn2)cc1)c1c(F)cccc1F 37150162 WZIXGAHCGSSDBS-UHFFFAOYSA-N 363.341 3.920 0 40 FHAB COc1nn(C)cc1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 38575377 LZZRGPRDTPIZAM-UHFFFAOYSA-N 354.844 3.519 0 40 FHAB C[C@H](CNC(=O)c1ccccc1Br)N1CCc2ccccc21 40072797 FDLDYDFTJQBOQT-CYBMUJFWSA-N 359.267 3.630 0 40 FHAB O=C(Cc1ccc(F)cc1)NCc1cccc(COCc2ccco2)c1 40089375 SSZQCDREHVFWQU-UHFFFAOYSA-N 353.393 3.994 0 40 FHAB Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc(F)cc2)cs1 40128134 RUOQJSZVCLQJPK-UHFFFAOYSA-N 359.382 3.617 0 40 FHAB Cc1nc2cc(NC(=O)c3csc(-c4cnccn4)n3)ccc2s1 44124286 YIDKJRONMIMCLU-UHFFFAOYSA-N 353.432 3.771 0 40 FHAB COc1ccc(C(=O)N2CCC(Oc3c(C)cccc3C)CC2)c(O)c1 46395431 JCBKUMWLDPOXIM-UHFFFAOYSA-N 355.434 3.701 0 40 FHAB CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccccc2Cl)CC1 46901990 HIFXZICDAAMLAZ-UHFFFAOYSA-N 353.850 3.861 0 40 FHAB C[C@H](NCc1cccc(Cl)c1)c1ccc(OCC(=O)NC2CC2)cc1 48744678 ATTFGEVIQBJTJT-AWEZNQCLSA-N 358.869 3.848 0 40 FHAB COC(=O)Nc1cccc(OS(=O)(=O)C2=Cc3ccccc3CC2)c1 56094311 QSWRBHXFRBETHB-UHFFFAOYSA-N 359.403 3.561 0 40 FHAB O=C(CSc1ncn[nH]1)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 58246600 UHHNZSQIKLCRMH-MRXNPFEDSA-N 372.881 3.650 0 40 FHAB C[C@]1(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)CC1(Cl)Cl 58368764 HEVMOTJYQHPHGY-CYBMUJFWSA-N 359.234 3.590 0 40 FHAB O=S(=O)(c1cc(F)ccc1F)N1CCCC[C@@H]1Cc1ccccc1 60343314 YAIKOEABUFUIGA-MRXNPFEDSA-N 351.418 3.751 0 40 FHAB O=C(/C=C/c1cccc(C(F)(F)F)c1)NCc1n[nH]c(=S)n1C1CC1 67070326 CQYOMPRJPVNOCU-QPJJXVBHSA-N 368.384 3.624 0 40 FHAB COc1ccccc1CC(=O)Nc1ccc2[nH]c(-c3cccnc3)nc2c1 71279292 KYKDAZKFBWLAEE-UHFFFAOYSA-N 358.401 3.815 0 40 FHAB COc1ccc(NC(=O)c2cn(C3CC3)c(=O)c3ccccc23)c(OC)c1 71285449 OWFSAUJETUATAR-UHFFFAOYSA-N 364.401 3.606 0 40 FHAB COc1cc([C@H]2CC(O)=Nc3c2cnn3Cc2cccs2)ccc1O 72406489 AUCVSUIBURWGGF-CYBMUJFWSA-N 355.419 3.831 0 40 FHAB CCO[C@@H](C)c1noc(CNc2cc(N3CCCC3=O)ccc2Cl)n1 76713538 RMCQMKYAZQNJFU-NSHDSACASA-N 364.833 3.559 0 40 FHAB CC(C)c1cccc(O[C@H](C)C(=O)NC[C@@H](CO)Cc2ccccc2)c1 78821282 HHJHLMNXXQDLBY-MJGOQNOKSA-N 355.478 3.545 0 40 FHAB Cc1ccccc1C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl 80943334 UIGILKGAUXCGFW-UHFFFAOYSA-N 358.747 3.871 0 40 FHAB C[C@H](c1nc2ccccc2n1CC(=O)N1CCCCCC1)N1CCCCC1 82086971 GADKGXYQLRQSGC-GOSISDBHSA-N 368.525 3.986 0 40 FHAB COc1ncccc1CNC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 83915322 OIEUFJQXNJDMIP-KGLIPLIRSA-N 350.340 3.529 0 40 FHAB O=C(c1ccsc1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 85471720 FDCLSYKMVSHENC-UHFFFAOYSA-N 356.369 3.846 0 40 FHAB COc1ccc([C@H](O)[C@@H](C)NC(=O)c2cc(C)nc3ccc(C)cc23)cc1 89657504 WSQFQFYSZAEWCE-QVKFZJNVSA-N 364.445 3.712 0 40 FHAB CC1CCN(Cc2ccc(CNC(=O)c3cnoc3C3CC3)cc2)CC1 89929978 OTRQLSPSYQSUNB-UHFFFAOYSA-N 353.466 3.714 0 40 FHAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)NC(=N)N1C#N 96336834 QYZHDUNWEUDYQC-KRWDZBQOSA-N 365.824 3.615 0 40 FHAB COc1ccc(C(=O)CC(C)(C)C(=O)N2CCc3ccccc3C2)cc1 97055974 MIMWSDLKOJABPN-UHFFFAOYSA-N 351.446 3.879 0 40 FHAB Cc1cc(NC(=O)Cc2coc3c(C)c(C)ccc23)ccc1OCCO 97083410 UUXHENDMHDQJKS-UHFFFAOYSA-N 353.418 3.910 0 40 FHAB CCN1C(=O)[C@H](C(=O)Nc2cccc(C)c2)[C@H]2C[C@@]1(C)Oc1ccccc12 101275541 ONJDWDQDFWVAMC-LQBOVUBWSA-N 364.445 3.694 0 40 FHAB Cc1nc(-n2cccc2)sc1C(=O)NC[C@H]1CCCN1c1ccccc1 206784945 ZLPFJTYXIJSMTF-QGZVFWFLSA-N 366.490 3.641 0 40 FHAB O=C(CCCN1C(=O)c2cccc3cccc1c23)Nc1ccc2c(c1)OCO2 219456636 STMGSCVXMZLCJQ-UHFFFAOYSA-N 374.396 3.948 0 40 FHAB COc1cccc(OCC(=O)NCCSCc2ccc(Cl)cc2)c1 222787347 TUQIJOQASUHOKS-UHFFFAOYSA-N 365.882 3.777 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 224119853 NMHDHJBXQDDZNG-IBGZPJMESA-N 372.896 3.826 0 40 FHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCOc1cccc(OC)c1 224467529 XWOYAAKTWZANET-LJQANCHMSA-N 357.450 3.665 0 40 FHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCN(C)c1ccccc1 225827341 BIXKWBJJIHGMCV-QGZVFWFLSA-N 352.478 3.585 0 40 FHAB CCCCc1nc2ccc(NC(=O)C[C@@H](C)NC(=O)C3CCCC3)cc2[nH]1 532038900 MCFIXWPFVSHJBA-CQSZACIVSA-N 370.497 3.929 0 40 FHAB CCc1c[nH]c(=NCc2cc(OC)c(OC)cc2Br)s1 541835187 YYBGWBGAPBTHLK-UHFFFAOYSA-N 357.273 3.519 0 40 FHAB O=C(NCc1cnc2n1CCCC2)N1CCC[C@@H]1Cc1ccccc1Cl 560113908 MLVULXXEBHZCAS-MRXNPFEDSA-N 372.900 3.790 0 40 FHAB O=C(NCC[C@H](CCO)c1ccsc1)c1ccccc1Br 575605773 DHFYPSNEPKQEIW-GFCCVEGCSA-N 368.296 3.797 0 40 FHAB Cc1ccc2sc(C(=O)N3CC[C@H](C(=O)N4CCCC4)C3)c(C)c2c1 585082824 PHIZZYPGOZNLRZ-HNNXBMFYSA-N 356.491 3.603 0 40 FHAB O=C(c1ccsc1)N1Cc2cccn2C[C@@H](CCNc2ccccn2)C1 585095596 ZPEPWWHRUROZQC-MRXNPFEDSA-N 366.490 3.719 0 40 FHAB C[C@@H]1C[C@@H](C(=O)Nc2nc3ccccc3n2-c2ccccc2F)CCO1 678949079 BTKDHLLYVWGXPO-KGLIPLIRSA-N 353.397 3.918 0 40 FHAB Oc1nc2cccc(I)c2c(O)c1-c1ccccc1 685937170 KSJXRZOPPQZSAH-UHFFFAOYSA-N 363.154 3.918 0 40 FHAB CCC[C@@H](C)C(=O)NC1(CC)CCN(C(=O)c2cnc(CC)s2)CC1 1775996840 KFAYYGJOZIADJS-CQSZACIVSA-N 365.543 3.643 0 40 FHAB CO[C@]1(COc2ccccc2)CCCN(C(=O)CCc2ccccc2F)C1 2037909305 PXZYRAQIHGPODG-JOCHJYFZSA-N 371.452 3.845 0 40 FHAB O=C(NCc1cccc2ccccc12)C(=O)NCc1cccc2ccccc12 2049614513 UJFILYKONHUVCH-UHFFFAOYSA-N 368.436 3.926 0 40 FHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 642694 SPVCXHYZDKKXNS-UHFFFAOYSA-N 369.417 3.810 0 40 FHAB Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1 670983 KWYKXIFYWRITGA-UHFFFAOYSA-N 372.490 3.668 0 40 FHAB COc1ccc([C@H]2NC(=O)N(C)C(C)=C2C(=O)Nc2ccc(C)cc2)cc1 828832 OSTANIUJPANLOT-LJQANCHMSA-N 365.433 3.612 0 40 FHAB Cc1ccccc1NC(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc12 907458 XHMZQOJXKLHSIB-UHFFFAOYSA-N 367.409 3.684 0 40 FHAB CC1(C)Cc2nc3nc(SCc4ccc(F)cc4)nc(N)c3cc2CO1 1429187 GBEVWADZMLOMPY-UHFFFAOYSA-N 370.453 3.890 0 40 FHAB Cc1ccccc1/N=c1\oc2ccc(Br)cc2cc1C(N)=O 1509175 YNILEMPMWJDYIK-JZJYNLBNSA-N 357.207 3.835 0 40 FHAB CC[C@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@@H](c3ccccc3)N2C1=O 2463494 MHUNLHPJSWTLBC-NVXWUHKLSA-N 372.490 3.925 0 40 FHAB Cc1cccc(N2CCN(C(=O)c3cnc(Cl)c(Cl)c3)CC2)c1C 2639537 ISXUDFNXOXVYGA-UHFFFAOYSA-N 364.276 3.968 0 40 FHAB Cc1cc(S[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)ncn1 2659842 YVNJPTIVLHWISA-NSHDSACASA-N 356.706 3.736 0 40 FHAB CCOC(=O)c1ccc(N[C@@H]2SC(=O)N(c3ccc(C)cc3)C2=O)cc1 3145324 LGQMWXOKSJMVAK-MRXNPFEDSA-N 370.430 3.810 0 40 FHAB O=Cc1ccc(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 3252874 SVVRFYKEPVVJQK-UHFFFAOYSA-N 373.408 3.562 0 40 FHAB O=C(COC(=O)CCc1c[nH]c2ccccc12)NCc1ccccc1Cl 3348085 QMINFOIHCUFFFX-UHFFFAOYSA-N 370.836 3.614 0 40 FHAB COc1ccc(CNC(=O)COc2ccc(Cl)cc2Cl)cc1OC 3382432 WCFXKVOCGURZLO-UHFFFAOYSA-N 370.232 3.706 0 40 FHAB O=C(NCCC1=CCCCC1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 3645848 XNYYNFJPXKHMHX-UHFFFAOYSA-N 365.477 3.743 0 40 FHAB O=C(Nc1cccc(-c2cn3c(n2)SCC3)c1)c1ccc(Cl)nc1 4292246 QQPYZQFZDZOMOU-UHFFFAOYSA-N 356.838 3.957 0 40 FHAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 4502804 SMSOZDIQMOTLOH-CYBMUJFWSA-N 372.490 3.749 0 40 FHAB COc1cccc(-c2noc(C3CCN(C(=O)c4cccs4)CC3)n2)c1 4513805 TVSTVGDILUAPSU-UHFFFAOYSA-N 369.446 3.827 0 40 FHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc2ccccc12 4834197 RIPDZRCXZMTVTQ-UHFFFAOYSA-N 365.385 3.896 0 40 FHAB O=C(O)CCCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 4860330 UMJMQWSMMAQWAN-OAHLLOKOSA-N 360.797 3.866 0 40 FHAB CC(=O)c1cnn(-c2cc(Nc3cccc(C(F)(F)F)c3)ncn2)c1C 5346826 ILLCYUGSTDUXTJ-UHFFFAOYSA-N 361.327 3.936 0 40 FHAB CCCCn1c(O)c(C(=O)Nc2ncc(C)s2)c(=O)c2ccccc21 5737797 KUUGSLLRXYQBAA-UHFFFAOYSA-N 357.435 3.524 0 40 FHAB Cc1ccc(C(C)C)c(OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 5927835 SMYBHCMMFVIYDJ-UHFFFAOYSA-N 372.490 3.785 0 40 FHAB C[C@H](OC(=O)CCc1ccccc1)C(=O)Nc1ncc(Cl)cc1Cl 6375358 KQLOIXMZMVGAKN-NSHDSACASA-N 367.232 3.891 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(Br)cc1 6880024 UQRUISUKKPTJGR-UHFFFAOYSA-N 361.239 3.841 0 40 FHAB COc1cc(C(=O)NCCCOC2CCCCC2)ccc1OC(F)F 6988981 JHZANZFMLGWSSX-UHFFFAOYSA-N 357.397 3.766 0 40 FHAB CCCCc1ccc(CC(=O)NCc2cc(OC)c(OC)cc2OC)cc1 8404195 PDWTUBCQRDYZCV-UHFFFAOYSA-N 371.477 3.914 0 40 FHAB CC(C)CN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1F 9242803 AYORCCXKOQJNHG-UHFFFAOYSA-N 352.409 3.966 0 40 FHAB O=C1Nc2cc(C(F)(F)F)ccc2S[C@H]1CC(=O)N1CCCCCC1 9336109 GHGNEGOXUAAPFX-AWEZNQCLSA-N 372.412 3.911 0 40 FHAB CCOc1ccc(NC(=S)NCc2cnn(-c3ccccc3)c2)cc1 10841494 QNACLHAVMZOUIL-UHFFFAOYSA-N 352.463 3.758 0 40 FHAB CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2ccc3ccccc3n2)CC1 10962080 PAQJQARQRSTWDJ-AWEZNQCLSA-N 372.490 3.517 0 40 FHAB CC(C)CNC(=O)CN(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 11087954 HEJSYVANSZRPBG-QGZVFWFLSA-N 367.493 3.704 0 40 FHAB Cc1c(C(=O)NC(C)C)nnn1-c1ccc2noc(-c3ccccc3)c2c1 12274458 ABHXFZPXAWDSLN-UHFFFAOYSA-N 361.405 3.522 0 40 FHAB Cc1ccc(SCCCC(=O)Nc2nnc(-c3cc(C)n(C)n3)o2)cc1 12443100 SYLWPSUSFINAIN-UHFFFAOYSA-N 371.466 3.598 0 40 FHAB Cc1nc(CCNC(=O)c2cccc(NC(=O)c3cccs3)c2)cs1 12775891 JVBGUOUVHFZESP-UHFFFAOYSA-N 371.487 3.738 0 40 FHAB CCOC(=O)c1sc2nc(Cc3c[nH]c4ccccc34)[nH]c(=O)c2c1C 12941577 HPKXQTQNXBMZAU-UHFFFAOYSA-N 367.430 3.542 0 40 FHAB CCCCN1C(=O)c2ccc(C(=O)N(C)[C@H](C)c3ccccc3)cc2C1=O 13003457 XVDBJEHKEWFFCV-OAHLLOKOSA-N 364.445 3.916 0 40 FHAB O=C(c1ccc(F)c(F)c1)N1[C@H]2CC[C@@H]1CC(O)(c1ccc(F)cc1)C2 13265965 WKXJPGWWFWMEPX-NYTJIUQPSA-N 361.363 3.759 0 40 FHAB O=C(CC1CCCC1)N1CCC(c2nc(O)cc(-c3ccccn3)n2)CC1 13267943 NPSWCICEXYKJOS-UHFFFAOYSA-N 366.465 3.531 0 40 FHAB CCOc1cc(/C=C/C(=O)Nc2ccc(C(=O)O)cc2C)ccc1OC 13390904 QEZIILSGFWCGOF-UXBLZVDNSA-N 355.390 3.752 0 40 FHAB CCn1c(C2CC2)nn(CN(C)Cc2cnn(-c3ccccc3)c2)c1=S 14121060 RLDISKBWZFLSCB-UHFFFAOYSA-N 368.510 3.587 0 40 FHAB COc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 15882990 QCKHIWBDWYIOJD-UHFFFAOYSA-N 368.820 3.811 0 40 FHAB COC(=O)[C@@H](CCSC)NC(=O)N(C1CCCCC1)C1CCCCC1 15999193 GXVFNNRFINLESM-QGZVFWFLSA-N 370.559 3.958 0 40 FHAB CC(C)c1ccc(NC(=S)N2CCN(Cc3ccccn3)CC2)cc1 16704549 DJYKDWMMJYCVFK-UHFFFAOYSA-N 354.523 3.720 0 40 FHAB COP(=O)(OC)c1nc(-c2cccs2)oc1NCc1cccnc1 16752211 SJNAVHZVFXIGJJ-UHFFFAOYSA-N 365.351 3.521 0 40 FHAB CC[C@H]1c2ccsc2CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 16778138 NLJPJUTXEVRYDO-AWEZNQCLSA-N 361.463 3.924 0 40 FHAB Cc1ccc(C(=O)Oc2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)cc1 18148869 DHUONFGEZUEDGK-KDURUIRLSA-N 363.413 3.894 0 40 FHAB CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccncc2)C1 19081995 CTSCWYPRJHWGPV-ICSRJNTNSA-N 366.509 3.592 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)Nc2nc(-c3cnn(C)c3C)cs2)cc1C 19214250 JCPFARTYXZBNQG-CQSZACIVSA-N 370.478 3.875 0 40 FHAB Cn1cc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2cccc(F)c2)n1 19290081 NHUWTWZQPGAEBV-IBGZPJMESA-N 364.424 3.989 0 40 FHAB O=c1cc([C@@H]2CCCCN2Cc2ccc(F)cc2)nc(-c2cccnc2)[nH]1 19340870 ZXJLUBMIHQYAGN-IBGZPJMESA-N 364.424 3.698 0 40 FHAB CC(C)[C@H](NC(=O)C[C@@H](C)n1cccn1)c1ccc2c(c1)OCCCO2 19445793 VGMOIAHCCPZIAS-QRWLVFNGSA-N 357.454 3.509 0 40 FHAB COc1cccc(NC(=O)[C@@H]2CC(O)=Nc3c(-c4ccccc4)cnn32)c1 20732115 QAWMJMZZNRQJPT-KRWDZBQOSA-N 362.389 3.730 0 40 FHAB CN(Cc1ccc(Br)cc1)Cc1nc(O)c2sccc2n1 21134129 WBEWFXOICJJTDX-UHFFFAOYSA-N 364.268 3.791 0 40 FHAB C[C@@H](OCCCNC(=O)c1cnn(Cc2ccccc2)c1)c1ccccc1 23021606 DHHFXPSXIJIVHU-GOSISDBHSA-N 363.461 3.829 0 40 FHAB Cc1ccc(OC[C@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)cc1 23115076 LISXGLNYRLQXAL-LJQANCHMSA-N 374.912 3.519 0 40 FHAB CC(C)N(C(=O)CSc1nc(O)c2ccccc2n1)c1ccccc1 26441890 XKRUZTONKGFLBN-UHFFFAOYSA-N 353.447 3.869 0 40 FHAB Cc1nc(-c2ccc(CNC(=O)NCCCOCC(C)C)o2)cs1 29326811 AUSUROOAFMNMLM-UHFFFAOYSA-N 351.472 3.573 0 40 FHAB CCOc1ccccc1N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 29630740 JUVDILKJXQKDAY-UHFFFAOYSA-N 362.832 3.840 0 40 FHAB Cc1oc(-c2ccccc2)nc1C(=O)N1CCN(C)C[C@@H]1c1ccccc1 30030432 GARHTGDIDNTVDI-LJQANCHMSA-N 361.445 3.779 0 40 FHAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 30329096 YQHNPINOLDXWHU-LBPRGKRZSA-N 369.870 3.787 0 40 FHAB COc1cccc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)cnc3c2)c1 32100911 BFYBBJGFSIVUJJ-UHFFFAOYSA-N 371.396 3.647 0 40 FHAB C[C@@H](NC(=O)c1cccs1)C(=O)N[C@@H](c1cccs1)C1CCCC1 32397435 FNZMSJHZYWYSQV-MLGOLLRUSA-N 362.520 3.976 0 40 FHAB C[C@@H]1C[C@@H](OC(=O)c2cc3sc(Nc4ccccc4)nc3s2)C(=O)O1 32850668 YDJSBMUDKCSLGQ-MWLCHTKSSA-N 374.443 3.962 0 40 FHAB O=C(NC[C@H]1COc2ccccc2O1)C1(c2ccc(Cl)cc2)CCC1 32995817 CYLBURYFJCDCRE-INIZCTEOSA-N 357.837 3.718 0 40 FHAB Cc1cc(N2CCOCC2)ccc1NC(=O)CSCc1cccs1 33186440 YOCGIOCIEWMUED-UHFFFAOYSA-N 362.520 3.765 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)NCc2ccccc2CN2CCCC2)c1C 33223359 OURPZYJVLVUYRB-LJQANCHMSA-N 366.505 3.983 0 40 FHAB O=C(Nc1ccccc1F)c1cc(=O)c(OCc2ccccc2F)co1 36360275 YBSQJAIIRLLFOE-UHFFFAOYSA-N 357.312 3.749 0 40 FHAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C[C@H](NC(N)=O)c1ccccc1 40146778 UWZYVMBYNVYLNX-DLBZAZTESA-N 369.465 3.517 0 40 FHAB O=C1C[C@H](c2cccnc2)c2ncn(-c3cccc(C(F)(F)F)c3)c2N1 40288336 FLXOLICIOZGFAB-CQSZACIVSA-N 358.323 3.760 0 40 FHAB COc1ccc(NC(=O)NC[C@H](c2cccs2)N(C)C)cc1Cl 43332286 QXVKCSYUILYRPQ-CYBMUJFWSA-N 353.875 3.835 0 40 FHAB COc1ccccc1NS(=O)(=O)c1cc(-c2onc(C)c2C)cs1 44921023 HWNGVSJFVKIZAB-UHFFFAOYSA-N 364.448 3.829 0 40 FHAB O[C@H]1c2cc(Cl)cc(Cl)c2O[C@@]2(N3CCOCC3)CCCC[C@@H]12 45028134 AHNURJARIRFRSR-QRTARXTBSA-N 358.265 3.638 0 40 FHAB O=c1cc(CN(Cc2ccco2)C2CCCC2)nc2ccc(Cl)cn12 48374604 ABETXXHLZRZUNF-UHFFFAOYSA-N 357.841 3.886 0 40 FHAB C=CC(=O)NCc1ccc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1 58823329 UTHCRDYBAFWZCT-UHFFFAOYSA-N 364.232 3.630 0 40 FHAB C[C@H](C(=O)Nc1ccccc1F)[S@@](=O)Cc1c(F)cccc1Cl 66301370 WKOKUNUKFHUVQH-DJNLSKAYSA-N 357.809 3.894 0 40 FHAB COc1ccc(-c2nc(C)cc(SCC(=O)NC3CCCC3)n2)cc1 67257559 NGXAJRFDDYGHHO-UHFFFAOYSA-N 357.479 3.612 0 40 FHAB Cc1ccnc2nc(C(=O)N[C@H](C)c3ccc(Oc4ccccc4)cc3)nn12 72065689 PGGULGFTGQKEGT-OAHLLOKOSA-N 373.416 3.716 0 40 FHAB COc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)c3cccnc3)C2)c1 72358706 JFCWMFRHBFZRFM-SFHVURJKSA-N 374.444 3.567 0 40 FHAB Cc1ccc(N(C(=O)c2cccc(-n3cccn3)n2)C2CCCCC2)nc1 76345181 WYRKHIHMOZHECJ-UHFFFAOYSA-N 361.449 3.950 0 40 FHAB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccccc1C(=O)NC1CCCC1 77385973 SJBRHKTXBPWJPN-HOTGVXAUSA-N 358.482 3.527 0 40 FHAB COc1ccc2oc(C(=O)Nc3ccccc3C(=O)N(C)C)c(C)c2c1 84067767 CIXZKYVZEWWTHF-UHFFFAOYSA-N 352.390 3.704 0 40 FHAB COc1ccc(C2(CNC(=O)Nc3cc(C)nn3C)CCCCC2)cc1 84101900 UGXVWSHWQQYDES-UHFFFAOYSA-N 356.470 3.761 0 40 FHAB CCOc1ccc(Br)cc1NC(=O)N(CC(C)(C)O)C(C)C 84810512 RWFDMFRFOOQCSC-UHFFFAOYSA-N 373.291 3.861 0 40 FHAB COC(=O)c1cc(-c2csc(N)n2)ccc1OCc1cccc(F)c1 85397501 IJOCTEAIQRZOFW-UHFFFAOYSA-N 358.394 3.897 0 40 FHAB COC(=O)c1ccc(CNCC(=O)Nc2c(C)cccc2C(C)C)cc1 89688816 XBVBXOAYJGZZKB-UHFFFAOYSA-N 354.450 3.633 0 40 FHAB COC(=O)NCC(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1 95377602 KVSXRFLPTLMUQM-UHFFFAOYSA-N 368.311 3.792 0 40 FHAB Cc1ccc(N2C(=O)C[C@@H](Nc3ccc(Br)cc3)C2=O)cc1 101275161 CBSLTJPMADDWOO-OAHLLOKOSA-N 359.223 3.502 0 40 FHAB CC(C)N1C[C@@H](C(=O)NCCC(c2ccccc2)c2ccccc2)CC1=O 105633963 ZWMKXECJXYANQB-FQEVSTJZSA-N 364.489 3.582 0 40 FHAB COc1cccc(NC(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 113530451 DSTLWPGTICUAJD-UHFFFAOYSA-N 353.422 3.965 0 40 FHAB CC(C)OC(=O)c1ncc(Br)cc1NC(=O)OC(C)(C)C 144745892 AUFXOCSUFBSTAQ-UHFFFAOYSA-N 359.220 3.756 0 40 FHAB C[C@@H]1CN(Cc2csc(NC(=O)C[C@H]3C[C@@H]4CC[C@@H]3C4)n2)C[C@@H](C)O1 195558560 XVUHSBOELMAKFU-OXGONZEZSA-N 363.527 3.517 0 40 FHAB O=C(NCCCc1ccc(Cl)cc1)c1cccc(N2CCCC2=O)c1 219211842 KWQKPDWTUOFVEJ-UHFFFAOYSA-N 356.853 3.829 0 40 FHAB CC[C@H]1CCCCN1CCCNC(=O)COc1ccc2c(c1)CCCC2 222818170 FQFDGTXDNCGGTA-FQEVSTJZSA-N 358.526 3.715 0 40 FHAB CCCC[C@@H](CC)CNC(=O)CCCN(c1ccccc1)S(C)(=O)=O 224624775 RCIPTXLDCDCBIY-QGZVFWFLSA-N 368.543 3.565 0 40 FHAB COc1ccc(S(=O)(=O)N(C)c2ccc(OC(C)C)cc2)cc1Cl 224969310 FIYJJXQYJCHHTD-UHFFFAOYSA-N 369.870 3.961 0 40 FHAB COc1ccc(S(=O)(=O)N(C)c2cc(Cl)cc(Cl)c2)cc1F 225103203 LIHYQYKXSNYGOG-UHFFFAOYSA-N 364.225 3.966 0 40 FHAB COc1ccc(CCNc2ccc(N)cc2C(=O)OC(C)C)cc1OC 225459771 JEPDXRODPWPZKU-UHFFFAOYSA-N 358.438 3.506 0 40 FHAB O=C(NCc1ccnc(-c2ccco2)c1)C1(c2ccccc2)CCOCC1 225655164 SIZJBDNFAPXQHO-UHFFFAOYSA-N 362.429 3.706 0 40 FHAB CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccccc1 225683242 SPARYYPAJIGDLW-LJQANCHMSA-N 366.505 3.604 0 40 FHAB CCOc1ccc(-c2noc(CN(C)C(=O)NC3CCCCC3)n2)cc1 225758759 HLPGPUBIUOIWRB-UHFFFAOYSA-N 358.442 3.609 0 40 FHAB COc1cccc(NC(=S)NCc2nc(-c3cccc(C)c3)no2)c1 225814463 YVQUPZRMIOPIAB-UHFFFAOYSA-N 354.435 3.540 0 40 FHAB CCOc1ccc(-c2noc(CNC(=S)Nc3cccc(F)c3)n2)cc1 225831496 GNHRLLDHSHHNAI-UHFFFAOYSA-N 372.425 3.761 0 40 FHAB COc1ccc(C2OCC(C)(C(=O)Nc3ccc(OC)cc3C)CO2)cc1 225916932 WINHUZARAHVSDW-UHFFFAOYSA-N 371.433 3.703 0 40 FHAB CCOC(=O)c1cnc(-c2cccc(N)c2)nc1Nc1ccc(OC)cc1 226103949 MJBNOTPALCOJNP-UHFFFAOYSA-N 364.405 3.655 0 40 FHAB Cc1ccc(Nc2nccc(C3CCN(Cc4cccnc4)CC3)n2)nc1 257305079 SOJDXTWMZIDPDF-UHFFFAOYSA-N 360.465 3.698 0 40 FHAB CCn1c(SCC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)nnc1-c1cccc(C)c1 260492753 UICWCDQOPRENCF-YQQAZPJKSA-N 370.522 3.670 0 40 FHAB CCOc1ccc(Cl)cc1S(=O)(=O)N(C)Cc1ccc(OC)cc1 408595800 UUQSKEHUAIVOIF-UHFFFAOYSA-N 369.870 3.568 0 40 FHAB COc1ccc(C(=O)Sc2nnc(-c3ccccc3OC)o2)c(OC)c1 408625131 WMMYSDYIVXTGEO-UHFFFAOYSA-N 372.402 3.695 0 40 FHAB CCOc1ccccc1C(=O)N(C)Cc1nnc(-c2ccc(C)cc2)o1 408714236 LVGZKRLLVYFLFT-UHFFFAOYSA-N 351.406 3.716 0 40 FHAB COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc2c1OCO2 408966806 QQECDKJXBQCSIE-OQLLNIDSSA-N 355.371 3.665 0 40 FHAB C[C@@H]1CCC2=NN(C(=O)CCc3ccccc3)[C@](O)(C(F)(F)F)[C@H]2C1 409051539 AQHBXMDWQXNEII-HACGYAERSA-N 354.372 3.505 0 40 FHAB Cn1nccc1-c1ccccc1CN1CCC[C@@H](c2nnc3ccccn23)C1 572787282 HRGREKDVWOZEOI-GOSISDBHSA-N 372.476 3.509 0 40 FHAB COC[C@@H]1CN(Cc2ccccn2)CC12CCN(CC1CCCCC1)CC2 585103188 MOCXANFNXDEEEE-NRFANRHFSA-N 371.569 3.822 0 40 FHAB O=C(Cc1c(F)cccc1Cl)N1CC[C@H](c2ccc3c(c2)CCO3)C1 585148849 JSLLFOVJFWRHMM-HNNXBMFYSA-N 359.828 3.973 0 40 FHAB CCc1noc(C2CCC3(CC2)NC(C)(C)C(=O)N3CC2CCCCC2)n1 639422100 NUXNBELWLLERTR-UHFFFAOYSA-N 374.529 3.777 0 40 FHAB COc1ccc2cc(C(=O)N3CCC[C@@H](COc4ccncc4)C3)[nH]c2c1 1775970916 JPURYBJQRVGAKZ-OAHLLOKOSA-N 365.433 3.503 0 40 FHAB FC(F)(F)c1cccc(CN2CCC(COc3ncccn3)CC2)c1 1888863703 XTKYCRXUDVWCLT-UHFFFAOYSA-N 351.372 3.786 0 40 FHAB Cc1cccc(CN2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@H]32)n1 1889114179 QSHDJNBAFIZHMY-WMLDXEAASA-N 362.399 3.515 0 40 FHAB CC(C)COC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2C)CC1 2056225606 SYWFIOYGXFTMNZ-SZMVWBNQSA-N 350.503 3.528 0 40 FHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc2nc(N3CCOCC3)sc2c1 104657615 YADBJDNODHJIKU-KKUMJFAQSA-N 371.506 3.898 0 40 FHAB CC(C)(C)NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 918386 SOJTWVFECLBLEK-JOYOIKCWSA-N 356.348 3.665 0 40 FHAB COc1ccc(NC(=O)c2ccc(I)cc2)cc1 970414 XZJJPDTWBWYEPQ-UHFFFAOYSA-N 353.159 3.552 0 40 FHAB CC(=O)c1c(N2CCOCC2)nnc(-c2ccccc2)c1-c1ccccc1 1106207 ZBNPHGCEKWBVNW-UHFFFAOYSA-N 359.429 3.850 0 40 FHAB COc1ccc(C)cc1[C@H](C)NC(=O)NCc1ccc(-c2ccn[nH]2)cc1 78945765 SUTXIBGVMHDLHD-HNNXBMFYSA-N 364.449 3.954 0 40 FHAB CCC(=O)N(Cc1cc2cccc(C)c2n2nnnc12)C1CCCCC1 1376747 JLXAVMCZMMEBHP-UHFFFAOYSA-N 351.454 3.657 0 40 FHAB CN(C(=O)Nc1cccc(Oc2ccccc2)c1)C1CCS(=O)CC1 79101150 DLICWOYQFMAZGP-UHFFFAOYSA-N 358.463 3.854 0 40 FHAB O=C(NCc1ccnc(N2CCCCC2)c1)C1(c2cccc(F)c2)CCC1 79255864 VJZISESCXHFWLI-UHFFFAOYSA-N 367.468 3.949 0 40 FHAB C[C@H](Sc1ncccn1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 12567813 HNLHLODQWPKRMY-VIFPVBQESA-N 356.432 3.888 0 40 FHAB O=C(O)[C@@H](c1cc2ccccc2[nH]1)N1CCN(c2ccc(Cl)cc2)CC1 2527391 LMTKXZWWIZVFQT-LJQANCHMSA-N 369.852 3.769 0 40 FHAB Cc1ccc(COC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 3392686 MIJGXOWSSURCDI-UHFFFAOYSA-N 373.474 3.527 0 40 FHAB O=C(Cc1ccc(-n2cccc2)cc1)Nc1ccnn1Cc1ccccc1 24575324 SUFDKPBYQXTPQY-UHFFFAOYSA-N 356.429 3.903 0 40 FHAB O=c1c(=O)n(-c2cccc3ccccc23)ccn1Cc1ccccc1Cl 4569888 UPUMMRBLXJLHEU-UHFFFAOYSA-N 362.816 3.854 0 40 FHAB CC(C)c1ccccc1NC(=O)Cn1cnc2sc3c(c2c1=O)CCC3 6111324 XVVBDZNIDMUZDK-UHFFFAOYSA-N 367.474 3.709 0 40 FHAB Cc1cc2sc(NC(=S)NC(=O)c3ccco3)nc2cc1Cl 6826417 HVBVQEKEMJWESO-UHFFFAOYSA-N 351.840 3.978 0 40 FHAB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)ccc1O 6944468 LVZLJFQQLNEBHP-MDWZMJQESA-N 372.808 3.999 0 40 FHAB COc1cc(C(=O)OCc2ccccc2)cc(OC)c1Br 7269341 RDXVZQOPCASGSE-UHFFFAOYSA-N 351.196 3.823 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1C(C)C 7360531 DHELHWCWNLJWKD-UHFFFAOYSA-N 362.451 3.578 0 40 FHAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CSc1ccc(F)cc1 26567862 KCRQIAWPKPUBRP-UHFFFAOYSA-N 373.497 3.617 0 40 FHAB CN(C(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccccc1 48231719 JBTYIQBYEGVJDF-UHFFFAOYSA-N 362.429 3.867 0 40 FHAB Cn1cccc1[C@@H]1CCCN1CC(=O)Nc1ccccc1C(F)(F)F 9690460 LTZAPTALPBUTDO-INIZCTEOSA-N 351.372 3.820 0 40 FHAB CCn1nnc2cc(C(=O)NCc3ccc(F)cc3C(F)(F)F)ccc21 48263514 CCQSXVBNQIUQRW-UHFFFAOYSA-N 366.318 3.539 0 40 FHAB Cc1cccn2c(=O)cc(CN[C@@H](c3ccccc3)c3cccs3)nc12 9741202 ZCWZBUDJSQJWNE-FQEVSTJZSA-N 361.470 3.944 0 40 FHAB O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)NC(=O)CO2 12790968 PMHSTLJOKWHLJX-UHFFFAOYSA-N 351.189 3.506 0 40 FHAB CCc1noc(C)c1C(=O)Nc1nc(-c2ccc(OC)c(OC)c2)cs1 23078259 OTVMJEKFFQTWMN-UHFFFAOYSA-N 373.434 3.938 0 40 FHAB CSc1nc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)cc2s1 59478026 ZUZVWPHCLDXJAK-WDEREUQCSA-N 350.465 3.848 0 40 FHAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc3c(c2)NC(=O)CO3)c1 27580605 PAVFIYHRBDDCSP-AWEZNQCLSA-N 368.433 3.855 0 40 FHAB COc1ccc(N(C(=O)c2ccc(S(C)(=O)=O)cc2)[C@@H](C)C2CC2)cc1 58195593 PMJNATGDQHCDRW-AWEZNQCLSA-N 373.474 3.544 0 40 FHAB CCc1ccc2oc(C(=O)Nc3onc4c3C[C@@H](C)CC4)cc(=O)c2c1 27748239 ZVRCGJYNCLNLFL-NSHDSACASA-N 352.390 3.721 0 40 FHAB FC(F)(F)c1cnc(Sc2nnnn2-c2ccccc2)c(Cl)c1 3343844 KYVWGHUACCYMQT-UHFFFAOYSA-N 357.748 3.881 0 40 FHAB CCCCn1c(N)c(C(=O)NC2CCCC2)c2nc3ccccc3nc21 2257223 LZRWQVCBKYGKMI-UHFFFAOYSA-N 351.454 3.639 0 40 FHAB O=C(NCc1ccc(F)cc1C(F)(F)F)C1C[C@@H]2CCC[C@H](C1)C2=O 36391136 PTLFZDDXGWXCDV-QYJAPNMZSA-N 357.347 3.856 0 40 FHAB Nc1nccnc1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 10935679 VMDZKASVKODVOM-UHFFFAOYSA-N 361.430 3.512 0 40 FHAB Nc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)C=C(c1ccccc1)N2 102952168 LMCSVSQTNVAJGH-CQSZACIVSA-N 350.809 3.604 0 40 FHAB O=C(CSc1nncc2ccccc12)Nc1ccccc1OC(F)F 12848885 ICHFTCHTAOSVKU-UHFFFAOYSA-N 361.373 3.962 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)OCc2ccc(Br)cc2)c1C 2642379 NGSKLXHESMVWCC-UHFFFAOYSA-N 350.212 3.954 0 40 FHAB O=C(COC(=O)c1ccc(-c2ccccc2)cc1)NCCc1ccccc1 2635209 RODFKQUSYHGFAU-UHFFFAOYSA-N 359.425 3.869 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(C(F)(F)F)cc1 12845932 ISIYWZCZHIQVHG-UHFFFAOYSA-N 351.324 3.683 0 40 FHAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Cn4cccn4)c3)n[nH]2)s1 29913739 XQXXAEQMSQAOCF-UHFFFAOYSA-N 363.446 3.944 0 40 FHAB Cc1occc1C(=O)Nc1ccccc1NS(=O)(=O)c1cccs1 37133244 ASBMIDOANSONKB-UHFFFAOYSA-N 362.432 3.703 0 40 FHAB Cc1cc(C(=O)CCC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c(C)s1 13012287 PMKSZDNGMITMID-LLVKDONJSA-N 372.446 3.686 0 40 FHAB CC(C)CCNC(=O)C1CCN(c2cc(Oc3ccccc3)ncn2)CC1 71328235 AHQQTFIYSWNNFG-UHFFFAOYSA-N 368.481 3.648 0 40 FHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cc1cccs1 22404206 JYTPOXIFCJZSDL-UHFFFAOYSA-N 370.396 3.797 0 40 FHAB CC(C)N1C(=O)[C@](O)(CC(=O)c2cccc(-n3cccc3)c2)c2ccccc21 4122641 IUTTUNCDTWTGPZ-QHCPKHFHSA-N 374.440 3.693 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)/C=C/c1c(F)cccc1F)c1ccccc1F 49617702 LRDOJNYOCCIEFL-YXBWYFRISA-N 371.362 3.756 0 40 FHAB Cc1ccc(C)c(NC(=O)CCC(=O)Nc2nnc(CC(C)C)s2)c1 5157761 DJHRMXCJZYFUBQ-UHFFFAOYSA-N 360.483 3.711 0 40 FHAB CCOC(=O)c1ccc2ncc(C(=O)OCC)c(NCc3ccco3)c2c1 19681952 YLAXYEBUWDHFFA-UHFFFAOYSA-N 368.389 3.793 0 40 FHAB COc1ccc2oc(C(=O)Nc3ccccc3N3CCOCC3)c(C)c2c1 6248569 ZELYAHRIIXWONN-UHFFFAOYSA-N 366.417 3.839 0 40 FHAB O=C1Nc2cc(C(F)(F)F)ccc2S[C@H]1CC(=O)N1CCCCC1 9365522 TTYGWVDEIUPJMI-ZDUSSCGKSA-N 358.385 3.521 0 40 FHAB COc1ccc2c(C)nc(Nc3ncc4c(n3)CC(C)(C)CC4=O)nc2c1 9361181 ZYCQHKRZUSQFOL-UHFFFAOYSA-N 363.421 3.636 0 40 FHAB C[C@@H]1CCCN(Cc2csc(NC(=O)COc3ccc(F)cc3)n2)C1 14141717 GIKYECXSTZHOCC-CYBMUJFWSA-N 363.458 3.532 0 40 FHAB CCn1c2ccc(C)cc2c2nnc(SCCN3CCCCC3)nc21 5478556 HIWLGEQTJTUJIU-UHFFFAOYSA-N 355.511 3.886 0 40 FHAB O=C1N[C@H](c2cccc(OCCOc3ccccc3)c2)Nc2ccccc21 66132835 UOQVJQIWUKQQGT-OAQYLSRUSA-N 360.413 3.999 0 40 FHAB CCSc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCOCC1 4783260 QMLFSEDLOGDKEG-UHFFFAOYSA-N 370.474 3.523 0 40 FHAB Cc1ccc(C2=NN(C(=O)CCN3CCCC3)[C@@H](c3ccco3)C2)cc1 4897838 JXJRLWASGFFJBH-LJQANCHMSA-N 351.450 3.752 0 40 FHAB Nc1nc2c(s1)[C@H](c1cccc(OCc3cccc(F)c3)c1)CC(=O)N2 15081972 MZJXHOWAIDESPD-HNNXBMFYSA-N 369.421 3.918 0 40 FHAB CC(C)c1ccc(-n2nnnc2S[C@H](C)C(=O)N2CCCCCC2)cc1 7876417 DGWXYQKWDRENJZ-OAHLLOKOSA-N 373.526 3.669 0 40 FHAB C[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccc(-n2ccnc2)cc1 8013609 PRFQNXOOBZDPJG-LLVKDONJSA-N 367.883 3.627 0 40 FHAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCc1ccc(F)cc1 8136674 GNAFWDJMSZEBKA-UHFFFAOYSA-N 359.788 3.778 0 40 FHAB CCOC(=O)c1ccc2c(c1)ncn2/C=C/NC(=O)c1ccc(Cl)cc1 9615112 MNBHDUDBBGRMIU-MDZDMXLPSA-N 369.808 3.725 0 40 FHAB C[C@@]1(C(=O)N[C@H]2CCSc3ccc(F)cc32)Cc2ccccc2C(=O)O1 70813397 FGFLNAYOHDWXLK-JXFKEZNVSA-N 371.433 3.651 0 40 FHAB Cc1cc(C)nc(NCc2cccc(C(=O)N[C@H](C)c3ccncc3)c2)n1 95996823 KDHAKVXMSDTYOB-MRXNPFEDSA-N 361.449 3.592 0 40 FHAB CCN(Cc1ccc(Cl)s1)C(=O)c1ccc2c(c1)CCN2C(C)=O 26861770 FQZYMFCVKJGIJU-UHFFFAOYSA-N 362.882 3.973 0 40 FHAB CCc1c(C(=O)N(C)CCOc2ccccc2)cnn1Cc1ccccc1 97294808 XXEKNTPZLHWFHT-UHFFFAOYSA-N 363.461 3.645 0 40 FHAB C[C@@H]1Oc2ccccc2N(CCN(Cc2ccco2)C2CCCC2)C1=O 89919843 GULGVVVHSWQIGM-INIZCTEOSA-N 354.450 3.838 0 40 FHAB COc1ccc(CCC(=O)N(Cc2ccccn2)Cc2ccco2)cc1 62018042 FXPNIGNAYSAXBX-UHFFFAOYSA-N 350.418 3.845 0 40 FHAB O=C(CCc1nc(-c2ccccn2)no1)Nc1cccc(C(F)(F)F)c1 20894241 TVZZRGIKWUUHBL-UHFFFAOYSA-N 362.311 3.722 0 40 FHAB Cc1cc(CN2CCC3(CC2)C[C@H](CN2CCC(F)(F)CC2)O3)oc1C 306137838 RHTMYTCORCHNRM-GOSISDBHSA-N 368.468 3.751 0 40 FHAB O=C(C[C@@H](c1ccccc1)n1cccc1)NC[C@@H]1CCCN2CCCC[C@H]12 524731225 OQRRYWQLAGKMIX-BDTNDASRSA-N 365.521 3.848 0 40 FHAB biogenic CC[C@@H](NC(=O)c1cnnc2ccccc12)c1nc(C(F)(F)F)cs1 528725454 YMPMZBQNQOLTTJ-LLVKDONJSA-N 366.368 3.986 0 40 FHAB Cc1cc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cnc1N1CCOCC1 72219368 XKDWKFSXRHWGJJ-KRWDZBQOSA-N 361.486 3.689 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)Nc2noc(-c3ccc(F)cc3)n2)cc1C 32624289 CQFCUXRXNCCUQE-ZDUSSCGKSA-N 355.369 3.899 0 40 FHAB CCOc1cccc(CNC(=O)C2CCN(c3ccc(C)cc3)CC2)c1 219862957 OKIMWDMQMBBTNF-UHFFFAOYSA-N 352.478 3.927 0 40 FHAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 219547203 VGNDWDBCOMENFE-INIZCTEOSA-N 352.434 3.836 0 40 FHAB CN(Cc1cccc2ccccc12)C(=O)C(=O)Nc1cccc2ccncc12 563675412 IFZJWRLQBNWBMO-UHFFFAOYSA-N 369.424 3.985 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=S)NCc2ccccc2OC)c1 225312809 XTXFNVVXLVGORW-UHFFFAOYSA-N 364.854 3.622 0 40 FHAB Cc1ccc(CS(=O)(=O)Nc2nnc(SCC(C)C)s2)cc1 225722352 JVIXJMXZZBUEAP-UHFFFAOYSA-N 357.526 3.537 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 223798710 ROWSDVOZEJOWJA-KRWDZBQOSA-N 370.468 3.620 0 40 FHAB COC(=O)c1cccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)c1C 225060527 FRTPKUKCGOCASH-UHFFFAOYSA-N 369.442 3.760 0 40 FHAB COc1cccc(-c2noc(CCC(=O)NCCC3=CCCCC3)n2)c1 41185211 HJWOKKNZWWTUCB-UHFFFAOYSA-N 355.438 3.685 0 40 FHAB COc1ccc(Br)cc1C(=O)Nc1ccc([C@@H](C)O)cc1 226273256 SGDHOWFCCLOUCV-SNVBAGLBSA-N 350.212 3.763 0 40 FHAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2cccc(CN3CCCC3)c2)c1 224626734 LEBKHBGGADMFCO-IBGZPJMESA-N 366.505 3.983 0 40 FHAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccs2)N1Cc1cccnc1 223447761 MGQGQKHZDNAGBW-IRXDYDNUSA-N 352.488 3.711 0 40 FHAB Cc1nn(-c2cccc(Cl)c2)nc1C(=O)N(C)C1CCC(F)(F)CC1 585083254 HYMKMTDTUBIBHT-UHFFFAOYSA-N 368.815 3.879 0 40 FHAB Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)NC4CCCCC4)C3)C2)n1 96216267 GNYBGWLTWHWNRK-JOCHJYFZSA-N 370.541 3.720 0 40 FHAB COc1ccc(C[C@H]2CN(C(=O)c3cccc(F)c3)CC[C@H]2OC)cc1 96110246 ZNNSZLQNSLCRQT-FXAWDEMLSA-N 357.425 3.554 0 40 FHAB COCC[C@@H]1CCOC12CCN(C(=O)c1ccc3ccccc3c1)CC2 247891576 UCQOLOVAVVGUON-HXUWFJFHSA-N 353.462 3.888 0 40 FHAB Cc1ccc(=Nc2cccc(C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c2)[nH]n1 522984687 GXKFBAYORMCQCN-PASDCYSWSA-N 350.466 3.505 0 40 FHAB CC(C)n1nccc1-c1cncc(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)n1 257330552 XOWPCYQGKIYWFI-MRXNPFEDSA-N 369.513 3.748 0 40 FHAB COCCC(=O)N[C@@H]1C[C@H](c2cccc(Cl)c2)O[C@@H]2CCCC[C@@H]12 257262404 LLGHNJYLYMVRMG-BSDSXHPESA-N 351.874 3.882 0 40 FHAB CC(C)(C)c1csc([C@@H]2CN(C(=O)c3ccncc3Cl)CCO2)n1 283370649 QWVSHALYBCDTIN-ZDUSSCGKSA-N 365.886 3.703 0 40 FHAB COC1(CNC(=O)c2ccc3ncsc3c2)C2CC3CC(C2)CC1C3 96123854 JTSGIFAAYLRORL-UHFFFAOYSA-N 356.491 3.867 0 40 FHAB C[C@@H](NC(=O)N1CCC(c2ccon2)CC1)c1ccccc1-n1cccn1 660894393 DKXHTQMSKNILGF-OAHLLOKOSA-N 365.437 3.511 0 40 FHAB CC(=O)NCCNc1ncc(-c2ccccc2C)c(-c2ccc(C)cc2)n1 65467071 MERVKRAGLUIZLA-UHFFFAOYSA-N 360.461 3.975 0 40 FHAB CC(C)CC(=O)N1CC[C@]2(C1)c1cccn1-c1ncccc1N2CC1CC1 585107034 ORWFZTGZYGINTN-QFIPXVFZSA-N 364.493 3.576 0 40 FHAB C[C@H](CC(=O)N1CCC[C@@H](c2n[nH]c(=S)n2C)C1)C1CCCCC1 78622052 VQCUBAWCMVLJFM-UKRRQHHQSA-N 350.532 3.790 0 40 FHAB CCN1C[C@H](CN(C)C(=O)N[C@@H](C)c2cc(C)oc2C)Oc2ccccc21 84779940 PUJRDXCFIRDZER-RDJZCZTQSA-N 371.481 3.886 0 40 FHAB CCc1cc(O)n2nc([C@H]3CCCCN3Cc3ccccc3OC)cc2n1 12276480 QFLYOEIYBJQBOP-GOSISDBHSA-N 366.465 3.733 0 40 FHAB Fc1ccc(F)c(CN2CCC(c3noc(-c4ccccn4)n3)CC2)c1 12668492 MQTBUSRPTSZPJF-UHFFFAOYSA-N 356.376 3.789 0 40 FHAB Cc1ccc(OCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1C 14001670 NSXSHECIUGAEMA-UHFFFAOYSA-N 354.450 3.849 0 40 FHAB CCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@H]1c1ccc(Cl)cc1Cl 14137632 CKGVSBSFLZXYJL-AWEZNQCLSA-N 357.237 3.869 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)NCc2ccc(CN3CCCCC3)cc2)c1 15357222 FQLNZXVTZNCXRE-UHFFFAOYSA-N 372.534 3.768 0 40 FHAB CCCn1c(=O)n(CC(=O)Nc2cccc(Cl)c2C)c2ccccc21 16705654 MAQBPSFKCSCEMR-UHFFFAOYSA-N 357.841 3.814 0 40 FHAB Cc1cc([C@H](C)NC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)c(C)s1 152210864 AFGUYADSSLVAEB-GOEBONIOSA-N 373.526 3.526 0 40 FHAB C[C@](O)(CNC(=O)C1(c2ccc(Cl)cc2)CCCC1)Cc1ccco1 206616771 GPCXYBRGELXTNN-LJQANCHMSA-N 361.869 3.855 0 40 FHAB O=C(CNC(=O)c1ccccc1)O[C@H](C(=O)c1ccccc1)c1ccccc1 3235011 VEGQCBGCQFPFBT-QFIPXVFZSA-N 373.408 3.584 0 40 FHAB aggregator CSc1sc(SC)c(C[n+]2ccccc2)c1C[n+]1ccccc1 754355 YQYAEFFYYXVDDD-UHFFFAOYSA-N 360.573 3.864 0 40 FHAB Cc1ccccc1-c1nnc(NC(=O)[C@@H](C)SC2=NCCS2)s1 4174517 CITJEIPMBLDYJJ-SNVBAGLBSA-N 364.521 3.677 0 40 FHAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1nc(C)cs1 11694412 HXRYMYAZIGMSIJ-UHFFFAOYSA-N 360.414 3.817 0 40 FHAB C[C@@H]1Nc2ncnn2[C@H](c2ccccc2)[C@@H]1C(=O)Nc1ccc(Cl)cc1 11694760 PPYDHAFKAWNMRG-JCURWCKSSA-N 367.840 3.590 0 40 FHAB O=S(=O)(Cc1noc2ccccc12)NCc1cc(-c2ccoc2)cs1 1775969518 AWQUKIHYFPKTEZ-UHFFFAOYSA-N 374.443 3.769 0 40 FHAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(Cl)cc(Cl)c1 40040517 QLXQXERPPPEXLK-ONERCXAPSA-N 356.249 3.940 0 40 FHAB C[C@@H]1C[C@H](OC(=O)c2ccc(-c3nc4ccccc4s3)s2)C(=O)O1 32736373 YJAFRGXJYNIBRD-KOLCDFICSA-N 359.428 3.886 0 40 FHAB O=C(Oc1ccc(Cl)cc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccco1 102592161 FLTWDMYJNGXVLN-CHWSQXEVSA-N 373.792 3.832 0 40 FHAB CCCN(Cn1nc(-c2ccc(OC)cc2)[nH]c1=S)CC(F)(F)F 32916180 FVGVQMJZXFAPHN-UHFFFAOYSA-N 360.405 3.848 0 40 FHAB CCc1ccc(OCC(=O)Nc2noc(-c3ccc(Cl)cc3)n2)cc1 21800678 ZQJDVERXYVCGOW-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB COc1ccc(NC(=O)CSCC(=O)Nc2ccccc2Cl)cc1 646397 HDWHVKBVTGUODH-UHFFFAOYSA-N 364.854 3.659 0 40 FHAB O=C(Nc1ccc(F)cc1)c1nnc(CN2CC[C@H]3CCCC[C@@H]3C2)s1 22893105 UCEURENELBHAFF-ZIAGYGMSSA-N 374.485 3.942 0 40 FHAB Cc1nc2ccccc2c(C)c1CC(=O)NCCCn1cnc2ccccc21 12489680 IWDAXZMFPFRFKN-UHFFFAOYSA-N 372.472 3.950 0 40 FHAB Cc1cccc(C)c1NC(=O)CSc1nnc(C)n1Cc1ccccc1 899770 NDYRHYOOHVHBRB-UHFFFAOYSA-N 366.490 3.982 0 40 FHAB O[C@@](c1ccccc1)(C(F)(F)F)[C@](O)(c1ccccc1)C(F)(F)F 1559252 AJBYSHYIHCXTJQ-ZIAGYGMSSA-N 350.258 3.887 0 40 FHAB O=C(N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1)N1CCCCC1 2457608 HHBDYKWEXWIXEP-AWEZNQCLSA-N 350.724 3.523 0 40 FHAB CCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C(C)C)cc2)cc1 6594486 CIKVFHVIGJEWRG-UHFFFAOYSA-N 374.506 3.680 0 40 FHAB CC1=C(C(=O)OCc2ccccc2)[C@H](/C=C/c2ccccc2)n2ncnc2N1 6848108 JQFBKJPAKNFMFX-HYSAVQALSA-N 372.428 3.976 0 40 FHAB O=C(COC(=O)Cc1cccc(F)c1)Nc1ccccc1C(F)(F)F 7492445 RYYQCJCXVFHHGT-UHFFFAOYSA-N 355.287 3.569 0 40 FHAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1C(=O)NC1CC1 7777658 MSMVCSCVHSQNAG-UHFFFAOYSA-N 362.351 3.779 0 40 FHAB C[C@@H](NC(=O)CSc1nccc(C(F)(F)F)n1)[C@H]1C[C@H]2CC[C@H]1C2 106859398 MKESMYDCRFRKBI-NOOOWODRSA-N 359.417 3.528 0 40 FHAB COC(=O)[C@H]1CC(=O)N(c2ccc3oc(-c4cccc(Cl)c4)nc3c2)C1 57327313 QFODOGRHMFWSPP-LBPRGKRZSA-N 370.792 3.674 0 40 FHAB CCOc1cc(NC(=O)NC[C@H]2CCN(C)c3ccccc32)ccc1OC 56629787 ZTXYNQGVNOZSQQ-OAHLLOKOSA-N 369.465 3.839 0 40 FHAB O=C1N(Cc2ccncc2)CCCC12CCN(C[C@@H]1CC=CCC1)CC2 108527987 RPKSMPGARQIXJB-LJQANCHMSA-N 353.510 3.643 0 40 FHAB Cc1cnc(C(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)cn1 12798764 NLRQPCNQYDKHIC-UHFFFAOYSA-N 364.474 3.967 0 40 FHAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)c1ccoc1 12775913 XOORYJIRSWQWJH-UHFFFAOYSA-N 374.440 3.999 0 40 FHAB O=C(NCCCn1ccc2ccccc21)c1cnc(-c2ccccc2)nc1 58417104 UEZPLRDOFMNZHF-UHFFFAOYSA-N 356.429 3.918 0 40 FHAB O=C(NCc1ccc(-n2cccn2)nc1)c1cc(Cl)sc1Cl 58416870 NLLKPNBGCJOCBK-UHFFFAOYSA-N 353.234 3.566 0 40 FHAB CC(C)C[C@@H](C)n1nccc1NC(=O)c1cncc(Br)c1 36395634 LTYIMUYEYZXIMU-LLVKDONJSA-N 351.248 3.900 0 40 FHAB COc1cc(OC)cc(C(=O)N(C)Cc2ccccc2N2CCCCC2)c1 10899277 LBJHLCVRMRDPRE-UHFFFAOYSA-N 368.477 3.966 0 40 FHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 12857301 IUGGFRHMELULEF-GFCCVEGCSA-N 358.825 3.638 0 40 FHAB CS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 12849544 FIIJOMLXHFYVJJ-QGZVFWFLSA-N 363.866 3.625 0 40 FHAB CCOCCSc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1 3436797 RAIFENMJHBLDFP-UHFFFAOYSA-N 356.447 3.523 0 40 FHAB CCc1ccc(CC)c(C(=O)CN2C(=O)N[C@](C)(c3ccsc3)C2=O)c1 60346597 APHSGTXBZIPRJY-HXUWFJFHSA-N 370.474 3.523 0 40 FHAB CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1C(C)C 20802579 OPHZQQOHWKMYQS-MSOLQXFVSA-N 371.481 3.805 0 40 FHAB O=C1C[C@@H](C(=O)OCc2cc(-c3ccccc3)no2)c2ccc(F)cc2N1 22286968 BXDBQYPZEUBLNJ-MRXNPFEDSA-N 366.348 3.650 0 40 FHAB COc1ccc([C@@H](CNC(=O)c2cccc(F)c2)N2CCCCC2)cc1 3402861 JWBLIAMYGCSCBI-HXUWFJFHSA-N 356.441 3.791 0 40 FHAB CC[C@@H](CO)Nc1ncnc2c1oc1nc(CC(C)C)c3c(c12)CCC3 13217729 FNIWFQPNLCRXAM-LBPRGKRZSA-N 354.454 3.641 0 40 FHAB CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 21002228 CKLXGVJRMVSJPA-UHFFFAOYSA-N 366.870 3.527 0 40 FHAB Cc1ccc(-n2ccc(=O)c(C(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 9304025 PXIPJVUTFOHRDS-UHFFFAOYSA-N 373.334 3.812 0 40 FHAB CC(C)Cn1ccc2c(NC(=O)Cn3cnc4ccccc4c3=O)cccc21 72325879 URUNRXMSGPIRAC-UHFFFAOYSA-N 374.444 3.646 0 40 FHAB biogenic CCCNC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 13955636 KSULZCSXZMHSED-OAQYLSRUSA-N 361.445 3.629 0 40 FHAB COc1cc(CO)ccc1OCC(=O)Nc1c(Cl)cccc1Cl 14135745 MIIKHLCINXDGFX-UHFFFAOYSA-N 356.205 3.512 0 40 FHAB Cc1cc(NC(=O)[C@H](OC(=O)c2cc(C)oc2C)c2ccccc2)no1 14108232 CEIFAZDLXZOISV-QGZVFWFLSA-N 354.362 3.730 0 40 FHAB COc1ccc(C(=O)COc2ccc(F)c3c2C(=O)C[C@H]3C)cc1OC 14196591 YGJQACHQYUJDDZ-LLVKDONJSA-N 358.365 3.795 0 40 FHAB CC(=O)c1ccccc1OCCSc1nnc(-c2ccccc2F)n1C 9499854 YSYOMKLQUTWXCW-UHFFFAOYSA-N 371.437 3.995 0 40 FHAB Cc1ccc(C)c(C(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)c1 6560272 KGHMQQNAPCZFNE-UHFFFAOYSA-N 374.436 3.965 0 40 FHAB COc1cccc(-c2nc(COC(=O)c3ccc4c(c3)OCO4)cs2)c1 6610402 MKMRXDFNURBXIB-UHFFFAOYSA-N 369.398 3.904 0 40 FHAB COc1cccc(CC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)c1 14604329 DEZTZWRYHUUMCY-UHFFFAOYSA-N 352.356 3.961 0 40 FHAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(F)c(F)c2F)no1 14731909 MBPUYWBZOAFOLM-UHFFFAOYSA-N 363.295 3.627 0 40 FHAB Cc1cc(C)n2nc(CC(=O)Nc3ccc(-c4ccccc4)cc3)nc2n1 6758486 CUTVOOYFUCBCMC-UHFFFAOYSA-N 357.417 3.589 0 40 FHAB CC[C@@H](Oc1ccccc1OC)C(=O)NCc1ccc(OC(C)C)cc1 113960443 KMNLYHLLUNTNML-GOSISDBHSA-N 357.450 3.956 0 40 FHAB O=C(CCSc1ccccc1F)NCc1ccc(N2CCCC2=O)cc1 9503701 VLWJAPIRRYIHPC-UHFFFAOYSA-N 372.465 3.751 0 40 FHAB C[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 15197107 TXKFKIFMBDEFJT-YQJFHSMKSA-N 363.866 3.634 0 40 FHAB O=C(Cc1ccc(Cl)cc1)NCCc1csc(-c2ccccn2)n1 19942294 KPMMHEYYCWSXOS-UHFFFAOYSA-N 357.866 3.760 0 40 FHAB Cc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1ccc(OC(F)F)cc1 19911213 GDVLBKDQUKGULO-UHFFFAOYSA-N 362.311 3.569 0 40 FHAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(-n3cnnn3)cc2)c1 15835141 ORIJCHOFKTZGBV-OAHLLOKOSA-N 365.437 3.500 0 40 FHAB COc1cccc([C@@H]2C[C@@H](c3ccc(SC)cc3)n3nnnc3N2)c1 15866425 ZZYUCVTWPFTBBF-IRXDYDNUSA-N 353.451 3.550 0 40 FHAB COc1ccc(CCC(=O)N2CCC[C@H]2c2nc3ccccc3n2C)cc1 68002855 BTKKFYOFPYBZES-FQEVSTJZSA-N 363.461 3.878 0 40 FHAB O=C1CCCN1Cc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1 9613951 OGOAIOANVLLOQS-UHFFFAOYSA-N 360.457 3.739 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc2c(c1)CCC2 7750235 MVUPBHHLDNFTKL-CYBMUJFWSA-N 373.836 3.778 0 40 FHAB Cc1cc(OCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)ccc1Cl 7831202 MCYPPRQDWKBUJA-UHFFFAOYSA-N 369.852 3.872 0 40 FHAB CCCn1c(SCC(=O)N2[C@@H](C)CCC[C@H]2C)nc2ccccc2c1=O 8195410 CJODEVQKVXWADH-GASCZTMLSA-N 373.522 3.688 0 40 FHAB CC(=O)Nc1ccc(CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 8429516 NWFOQXSSEMEBNY-UHFFFAOYSA-N 366.417 3.868 0 40 FHAB CCC[C@](O)(c1ccc(OC)cc1)[C@H](CN1CCOCC1)c1ccccc1 20756579 MCPXRMSANKDTNK-PKTZIBPZSA-N 369.505 3.799 0 40 FHAB Cc1cc(C)n(C[C@H](C)CN[C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 95996296 NJPVPHULKXWQDZ-JLSDUUJJSA-N 364.534 3.514 0 40 FHAB O=C(C[C@H]1CCOc2ccccc21)n1ccc(=NCC(F)(F)F)cc1 89857792 WWAKHQMVUZPWKO-CYBMUJFWSA-N 350.340 3.548 0 40 FHAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(CN2CCOCC2)cc1 20238798 MEZHJIKYGOMGBY-UHFFFAOYSA-N 364.367 3.790 0 40 FHAB C[C@H](Sc1nccc(C(F)(F)F)n1)C(=O)Nc1cc(F)ccc1F 22614532 CJXPRADAKFNFAD-ZETCQYMHSA-N 363.311 3.893 0 40 FHAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1c[nH]c2ccccc2c1=O 22234099 BREPRJGJEHZFEO-UHFFFAOYSA-N 350.271 3.938 0 40 FHAB O=C1COc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)cc2N1 25849821 MUZFJZUGMPVDBZ-UHFFFAOYSA-N 369.764 3.578 0 40 FHAB Cc1cc(C)cc(-n2ncc3c2N=C(O)C[C@]32C(=O)N(C)c3ccccc32)c1 32097480 ZAISGYHZIPFLKY-JOCHJYFZSA-N 372.428 3.743 0 40 FHAB COc1ccc2c(c1)C(=O)CC1(CCN(Cc3ccccc3F)CC1)O2 39227040 XYTSWRKZNPAURZ-UHFFFAOYSA-N 355.409 3.834 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)CN(C)c1nc2ccccc2s1 70972739 PJPZWUTZSKZTAL-OAHLLOKOSA-N 353.491 3.870 0 40 FHAB C[C@]1(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)Cc2ccccc2C(=O)O1 79181636 GGKPPALFXPTABP-MAUKXSAKSA-N 363.335 3.578 0 40 FHAB O=C(CN1C(=O)S/C(=C/c2ccco2)C1=O)Nc1ccc(Cl)cc1 210809343 SQMMDMBXNWMEIL-MDWZMJQESA-N 362.794 3.608 0 40 FHAB O=C(O)c1ccc(CN2CC[C@H](c3nnc(-c4ccccc4F)o3)C2)cc1 49170518 FYBCYCCMTKVRJX-HNNXBMFYSA-N 367.380 3.563 0 40 FHAB biogenic,in-vitro CCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C 224765772 YQYXCXHLALHDME-NRFANRHFSA-N 366.505 3.951 0 40 FHAB O=C(CN1Cc2cccn2-c2ccc(Cl)cc2C1=O)Nc1ccccc1 225378914 QVVLLFRUGWXEBR-UHFFFAOYSA-N 365.820 3.725 0 40 FHAB O=C(C[C@@H]1CCCC[C@H]1C(=O)O)c1cccc(I)c1 43879408 KRBZJRBTKJYOEH-GXFFZTMASA-N 372.202 3.755 0 40 FHAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1ccccc1Cl 224290369 POHQMNNJZFFJRV-GFCCVEGCSA-N 354.233 3.956 0 40 FHAB Cc1cc(N)c(N2CCOCC2)cc1NC(=O)c1ccc(C(C)C)cc1 226264153 SZOIXOSBFCUYEE-UHFFFAOYSA-N 353.466 3.790 0 40 FHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)cn1 222773275 RCTZFLVFLACWJR-OALUTQOASA-N 363.490 3.568 0 40 FHAB COc1cc2c(cc1S(=O)(=O)N[C@@H](C)c1ccccc1C)CCCC2 225130350 KYUOYTRPWAGWJF-HNNXBMFYSA-N 359.491 3.922 0 40 FHAB Fc1ccc(CN2CCC3(CC2)C[C@H](OCc2ccncc2)CO3)cc1 96106824 RTNYDLLFFGUHNW-FQEVSTJZSA-N 356.441 3.561 0 40 FHAB Cc1ccc(CNC(=O)c2nc(-c3cn(C(C)C)cn3)n3ccccc23)o1 96266857 KIEXCSORVWWCDZ-UHFFFAOYSA-N 363.421 3.610 0 40 FHAB C[C@@H]1CN([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CCc2ccc(F)cc21 1590304037 OQYVRVCNUJTPML-KGLIPLIRSA-N 351.429 3.729 0 40 FHAB c1ccc(COC[C@]23CCCO[C@@H]2CCN(Cc2cccs2)C3)nc1 96040223 IMVTZFCPCLNRMK-WOJBJXKFSA-N 358.507 3.731 0 40 FHAB CCc1ccc(NC(=O)N2Cc3c(CN4CCCCC4)nn(C)c3C2)cc1 96259139 NMJLYRURBCNDQO-UHFFFAOYSA-N 367.497 3.516 0 40 FHAB Cc1ccc(CNC(=O)c2cc3c(s2)CCN3C(=O)c2ccccc2)o1 96264545 FEFRUAHOUAEJKM-UHFFFAOYSA-N 366.442 3.782 0 40 FHAB COc1ccc(CN2CC[C@@]3(CCCN(Cc4cccc(C)n4)C3)C2)cc1 96216133 AVXBVSFSBGYLSI-HSZRJFAPSA-N 365.521 3.887 0 40 FHAB Cn1nccc1C(=O)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257323636 WLFJORMNXGWPKD-MRXNPFEDSA-N 370.840 3.630 0 40 FHAB Cc1cccc(Nc2cnc([C@@H]3CCCN(Cc4cncs4)C3)cn2)n1 257284136 PBIXSZPBJPJZIL-OAHLLOKOSA-N 366.494 3.760 0 40 FHAB CCc1ccc(-c2n[nH]c(SCC(=O)c3ccc4c(c3)CCO4)n2)cc1 26258744 DITDAEUKYUOAPL-UHFFFAOYSA-N 365.458 3.944 0 40 FHAB CCO[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]4OB(O)O[C@@H]4C[C@H]32)C1 263606807 RHGZNNOBMYWNIZ-KPXVZXTGSA-N 362.319 3.805 0 40 FHAB CCCCOc1ccccc1-c1cc(C(=O)NCc2ccccn2)[nH]n1 90610293 LCTMMNAPZXFGKM-UHFFFAOYSA-N 350.422 3.581 0 40 FHAB COc1ccc(NC(=O)NC[C@@H]2CCCN2C)cc1Cc1ccccc1 620322018 RNDKMRHMLBKQCU-IBGZPJMESA-N 353.466 3.502 0 40 FHAB O=S(=O)(CCc1ccc(F)cc1)N(Cc1ccc(F)cc1)C1CC1 656867430 RRVAXEZDBGCFSQ-UHFFFAOYSA-N 351.418 3.502 0 40 FHAB CC[C@@H](NC(=O)N[C@H](c1cccs1)C(C)(C)CO)c1c(C)noc1C 664535605 PRYQRVSNYXLIBJ-CZUORRHYSA-N 365.499 3.863 0 40 FHAB CN(C)[C@H](CNC(=O)Nc1c(F)cccc1F)c1cn(C)c2ccccc12 96096350 LJIGPZPDGSWNSV-GOSISDBHSA-N 372.419 3.881 0 40 FHAB O=C(Cc1ccsc1)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 96103613 PJNVLVVYYVQAJH-UHFFFAOYSA-N 366.442 3.721 0 40 FHAB O=C1CC2(CCN(C(=O)c3ccsc3)CC2)CN1Cc1cccc(F)c1 585099790 ZUFWPJOTUVHBRA-UHFFFAOYSA-N 372.465 3.542 0 40 FHAB O=C(C1CCN(c2nc3ccccc3s2)CC1)N1CCC(F)(F)CC1 684520776 WBXWKIKYGQBKHF-UHFFFAOYSA-N 365.449 3.770 0 40 FHAB O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)[C@@H]1CCCc2ccccc21 40122153 QWXBJTAHHBNSLT-RTWAWAEBSA-N 362.473 3.586 0 40 FHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1c(C)cc(C)cc1C 75955508 ZRGDBJAXMCHVML-UHFFFAOYSA-N 364.449 3.902 0 40 FHAB CCOC(=O)c1cn(C(=O)C(Cl)=C(Cl)Cl)nc1C(F)(F)F 2148994 GPNQMAJTJXQKHP-UHFFFAOYSA-N 365.522 3.604 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)OCc2ncc(-c3ccccc3)o2)c1C 5326437 LULNASHSIRULAU-UHFFFAOYSA-N 368.389 3.820 0 40 FHAB Cc1nc(C)c(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)s1 5040618 OHRGDZIEVKTANZ-UHFFFAOYSA-N 372.418 3.870 0 40 FHAB COc1cc(C)c(NC(=O)/C=C/c2cc(F)cc3c2OCOC3)cc1OC 16231655 QNRBGZJQSNDAGU-SNAWJCMRSA-N 373.380 3.670 0 40 FHAB COc1c(C)cccc1CN1CCc2nc([C@H]3CCCCN3C)ncc2C1 19236000 NWHOCCVNLVZFHN-HXUWFJFHSA-N 366.509 3.509 0 40 FHAB O=C(Cc1cccs1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 19343178 ZYTUZXDLXCWYEG-UHFFFAOYSA-N 359.476 3.808 0 40 FHAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)CCn2ccnc2)sc1C 19559761 BVJFSVBMRDNCSW-OAHLLOKOSA-N 360.508 3.508 0 40 FHAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@@H](c3cc4cccnc4[nH]3)C2)n1 19572814 KECNOWFBKHMMCF-FUHWJXTLSA-N 365.481 3.734 0 40 FHAB CC(=O)Oc1c(C)s/c(=N\c2cccc(Cl)c2Cl)n1C(C)=O 5375723 IVFOKTSTXLOAQK-VKAVYKQESA-N 359.234 3.983 0 40 FHAB COc1c2cc(c(O)c1OC)CCCC[C@H](O)CCc1ccc(O)c-2c1 14611785 SBGBAZQAEOWGFT-HNNXBMFYSA-N 358.434 3.802 0 40 FHAB biogenic,in-vitro O=C(Cc1ccccc1Cl)NC[C@@](O)(c1ccsc1)c1ccco1 245015186 LPSUDGDELQHFCG-GOSISDBHSA-N 361.850 3.589 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)N1CCN=C1SCc1cccc(F)c1 4119897 CFDSEHNHXWHULH-AWEZNQCLSA-N 358.438 3.725 0 40 FHAB C/C=C\C(=O)Nc1cc(C)nn1-c1nc(-c2cccc(OC)c2)cs1 12442090 XUGIRVBWUOESKY-XQRVVYSFSA-N 354.435 3.827 0 40 FHAB CCc1nc2ccc(C(=O)N3CCC[C@@H](c4cnn(C)c4)C3)cc2s1 1775965440 QYKHEXWITJWFKZ-CQSZACIVSA-N 354.479 3.612 0 40 FHAB Cc1nc2sc([C@H](c3cccs3)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 23158206 DUJNAGSMLZWJSU-MJVIPROJSA-N 362.524 3.934 0 40 FHAB O=C(NCc1ccc(-c2ccco2)o1)C(=O)Nc1ccc(F)c(Cl)c1 575610854 QPANQJXCZFCQDS-UHFFFAOYSA-N 362.744 3.587 0 40 FHAB c1ccc(-c2nc(CN3CCC[C@@H](COc4cnccn4)C3)cs2)cc1 2298227083 DWYZHLKCQAXDMO-MRXNPFEDSA-N 366.490 3.891 0 40 FHAB CN(C)[C@H](CNC(=O)CCOc1ccc(Cl)cc1)c1ccsc1 40107424 WZZJNXGIUMWIKF-MRXNPFEDSA-N 352.887 3.590 0 40 FHAB O=c1ccc(-c2ccc(F)cc2)nn1Cc1cccc(Br)c1 40283330 ARDLQQRJCZCFOG-UHFFFAOYSA-N 359.198 3.860 0 40 FHAB CC(=O)N[C@H]1C(=O)N(Cc2ccc(OC(C)C)cc2)c2c(Cl)cccc21 100485800 GNZGIWVTUZQWJF-GOSISDBHSA-N 372.852 3.851 0 40 FHAB C[C@H](OCC(F)(F)F)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 31691106 HCFUTYWMWKPNOR-NSHDSACASA-N 355.360 3.669 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)cc1C 33026485 HYQVEDHQCCBMNL-KBXCAEBGSA-N 358.463 3.699 0 40 FHAB O=C(O)CCC(=O)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 33405877 JLULDRWPVOVHHE-RSCKOCQQSA-N 368.389 3.860 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)c(Cl)c1 22514153 GHWBFZYSOOVBOY-UHFFFAOYSA-N 364.854 3.576 0 40 FHAB CCc1ccc(NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1 728077 DCHCMQCVSQFCBA-SFHVURJKSA-N 350.418 3.508 0 40 FHAB COc1ccccc1COc1ccc2c(C)c(CCC(=O)O)c(=O)oc2c1 2145418 FZHPRLXSPFNHRX-UHFFFAOYSA-N 368.385 3.706 0 40 FHAB biogenic CCn1c(=O)c2c3c(sc2n(Cc2ccccc2Cl)c1=O)CCCC3 2890489 JZBVRWPIAMMBLI-UHFFFAOYSA-N 374.893 3.825 0 40 FHAB CSc1ccc(Cl)c(C(=O)OCC(=O)NCc2ccc(F)cc2)c1 3301635 NUKVBHNERKPRMX-UHFFFAOYSA-N 367.829 3.674 0 40 FHAB CC(C)NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1 3465695 IQUYLGDRGWJFRY-UHFFFAOYSA-N 372.519 3.672 0 40 FHAB COc1ccc(Cl)cc1C(=O)OCC(=O)NC1CCCCCCC1 3497951 MNINETHGSAASLI-UHFFFAOYSA-N 353.846 3.735 0 40 FHAB Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)n1-c1ccccc1F 4072946 FJYAGUWMCZKUJQ-UHFFFAOYSA-N 372.709 3.538 0 40 FHAB CSc1cccc(NC(=O)c2nnn(Cc3ccc(Cl)cc3)c2N)c1 4934150 BDVYLRLSFZJHOX-UHFFFAOYSA-N 373.869 3.536 0 40 FHAB O=C(NCCc1ccccc1)[C@H]1CCCN(c2nc3ccccc3s2)C1 4967885 WLOZGYDOZLNMQE-KRWDZBQOSA-N 365.502 3.872 0 40 FHAB Cc1ccc(C(=O)N(c2cc(C)cc(C)c2)[C@H]2C=CS(=O)(=O)C2)cc1 5082600 XFDBTFZICRWMRA-SFHVURJKSA-N 355.459 3.569 0 40 FHAB COc1ccc(C(=O)NCCOc2cccc3ccccc23)cc1OC 5745369 BNGMWKPPRXNLDC-UHFFFAOYSA-N 351.402 3.666 0 40 FHAB CCOc1cccc(/C=C2/Sc3ccccc3C2=O)c1OCC(=O)O 6355729 QCOHBIHFSLCKOD-MHWRWJLKSA-N 356.399 3.878 0 40 FHAB CSc1ccc(/C=C/C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 6362919 RFOVJLYMJCWNFS-LTANLBFYSA-N 361.507 3.906 0 40 FHAB COC(=O)c1sccc1NS(=O)(=O)c1cc(C(C)(C)C)ccc1C 6623470 WGJPKHVWJAWCCT-UHFFFAOYSA-N 367.492 3.941 0 40 FHAB Cc1cc(-n2c(C)cc(C(=O)CSc3nnc(C4CC4)o3)c2C)no1 7289638 MOFWIPJXQFGDRZ-UHFFFAOYSA-N 358.423 3.626 0 40 FHAB CC(=O)COC(=O)c1cccnc1Sc1ccc(Br)cc1 7814128 ZJHSXNVPQDEIPI-UHFFFAOYSA-N 366.236 3.741 0 40 FHAB COC(=O)c1ccccc1NC(=O)CNc1cc(Cl)cc(Cl)c1 7972352 HSFNVHYOCSEBGQ-UHFFFAOYSA-N 353.205 3.831 0 40 FHAB CC[C@@H](CO)NCc1cc(Br)ccc1OCc1ccccc1 8326317 XMWMUOAWBIIXIC-KRWDZBQOSA-N 364.283 3.889 0 40 FHAB CN(C)C1(CNC(=O)Cc2csc(-c3ccccc3)n2)CCCCC1 9053270 HFVWIJHXOPQINQ-UHFFFAOYSA-N 357.523 3.733 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)Sc2nnc(NC3CCCCC3)s2)no1 9315496 FLYHYGUTOPQEQE-SNVBAGLBSA-N 367.500 3.698 0 40 FHAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCc1ccc(F)cc1 11694373 PKQJHAMESIFLGQ-UHFFFAOYSA-N 371.387 3.522 0 40 FHAB COc1cccc2s/c(=N/C(=O)c3nc4ccccc4s3)n(C)c12 11847454 UTPCTENZTJORSC-HTXNQAPBSA-N 355.444 3.599 0 40 FHAB CC[C@H](NC(=O)CSc1ncn(-c2ccccc2)n1)c1ccc(C)cc1 12267804 SEIOKWICDZWVTE-SFHVURJKSA-N 366.490 3.935 0 40 FHAB CC1CCN(C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)C(C)(C)C)CC1 12326749 STTTVKVONMZWIJ-HXUWFJFHSA-N 358.526 3.777 0 40 FHAB COc1ccccc1C1(O)CCN(Cc2c(C)nn(C(C)C)c2C)CC1 12344574 BFAMTNQSCNHRES-UHFFFAOYSA-N 357.498 3.573 0 40 FHAB Cc1cc(NC(=O)[C@@H](OC(=O)c2cccc(F)c2)c2ccccc2)no1 12567985 WTVVJQKZWBFRDB-KRWDZBQOSA-N 354.337 3.659 0 40 FHAB Cc1ccccc1NC(=O)c1sc(NC(=O)c2ccncc2)nc1C 12640208 KEUINGJDBDNRSA-UHFFFAOYSA-N 352.419 3.660 0 40 FHAB Cc1cccc(CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 12936141 UGKSKXUPQNTBNA-UHFFFAOYSA-N 351.446 3.861 0 40 FHAB CC1CCC(CNC(=O)Nc2cccc(Cl)c2)(N2CCOCC2)CC1 13964993 LQVYCINEMJIVGZ-UHFFFAOYSA-N 365.905 3.743 0 40 FHAB COC(=O)C[C@@H](NC(=O)c1cccs1)c1ccc(Br)cc1 14167174 OUEIINHLWKNBQG-GFCCVEGCSA-N 368.252 3.545 0 40 FHAB COc1ccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)cc1OC 14232885 MBQMVWHHZBEVGA-SFHVURJKSA-N 366.417 3.607 0 40 FHAB COc1cccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c1OC(C)C 15013214 PQBVPWUQUSHMJN-SFQUDFHCSA-N 366.417 3.575 0 40 FHAB Cc1ccc(/C=C/C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 16103293 HYFRWDDCMOUUGD-MDZDMXLPSA-N 364.493 3.579 0 40 FHAB COC(=O)Cc1sc(Nc2cccc3ccccc23)nc1C(=O)OC 16189860 QDVLRTSEGRYCNK-UHFFFAOYSA-N 356.403 3.542 0 40 FHAB Cc1ccccc1Nc1nc(NCCCO)nc2c1cnn2-c1ccccc1 17136024 URSHTIUHXVYACB-UHFFFAOYSA-N 374.448 3.662 0 40 FHAB O=C(CC(c1ccccc1)c1ccccc1)Nc1nnc2n1CCS2 17178325 BMKWQKXUANYOCU-UHFFFAOYSA-N 350.447 3.545 0 40 FHAB CC(=O)N[C@@H]1CCO[C@H](c2ccc(NC(=O)Cc3ccc(C)cc3)cc2)C1 19711891 UUMZVBBASRPPPG-RTWAWAEBSA-N 366.461 3.532 0 40 FHAB CCS(=O)(=O)N1c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2C[C@H]1C 20448982 NISZNEYDRCFXOM-OAHLLOKOSA-N 372.490 3.656 0 40 FHAB Cc1cc(C)c2c(CN3CCN(Cc4ccccc4)CC3)cc(=O)oc2c1 20479513 XDAGLZQVAFKDDB-UHFFFAOYSA-N 362.473 3.728 0 40 FHAB Cc1ccc(-c2nc(COC(=O)c3ccccc3NCCO)cs2)cc1 21124786 PGOYVUWSCUHQEV-UHFFFAOYSA-N 368.458 3.880 0 40 FHAB C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1cccc(Cl)c1 21911382 DSSWFAXTZFXUNL-WFASDCNBSA-N 362.882 3.884 0 40 FHAB Cc1occc1C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCCC1 24494892 PSRHCEUIJUUKFR-UHFFFAOYSA-N 350.459 3.936 0 40 FHAB COc1ccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 24560034 MNZZWSLHZHUZBQ-FQEVSTJZSA-N 361.445 3.747 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)OCC(=O)N1CCC[C@@H]1c1cccs1 24600754 WBQFBYNXOXRFPM-QGZVFWFLSA-N 368.458 3.679 0 40 FHAB CC(=O)Nc1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 25327597 RYSXMLOOYGJOAR-ZDUSSCGKSA-N 360.841 3.691 0 40 FHAB CC(=O)CCc1ccc(Oc2cc(C)nc3nc(C(F)(F)F)nn23)cc1 26691897 ROINNXOHCGOYFE-UHFFFAOYSA-N 364.327 3.765 0 40 FHAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc(-c4ccccc4)n[nH]3)o2)n1 28246932 MFBRTYVXCLDPLV-UHFFFAOYSA-N 361.405 3.784 0 40 FHAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1 28289224 QWCPJTGXWGLKPE-AWEZNQCLSA-N 368.433 3.855 0 40 FHAB CCCCC(=O)Nc1ccc(NC(=S)NC(=O)C(C)(C)C)cc1OC 32115310 NIHRWEWGMSYREY-UHFFFAOYSA-N 365.499 3.683 0 40 FHAB COC(=O)c1cnc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)s1 32493996 FMHTWEXHAZHRHI-ZDUSSCGKSA-N 352.843 3.961 0 40 FHAB Cc1nnc(NC(=O)c2csc(Nc3cccc(Cl)c3)n2)s1 36704633 VCADRZPQFMKZNZ-UHFFFAOYSA-N 351.844 3.952 0 40 FHAB O=C(c1ccsc1)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 38518958 GZENKARHVCWLNN-UHFFFAOYSA-N 357.410 3.957 0 40 FHAB CCOc1ccccc1-c1n[nH]c(SCc2cccc(C(=O)O)c2)n1 39369581 LVUXPXZILQVCGP-UHFFFAOYSA-N 355.419 3.861 0 40 FHAB CN(CCOc1ccc(F)cc1)C(=O)c1cccc(OC[C@@H]2CCCO2)c1 40047184 DULRQJLDGHFWED-FQEVSTJZSA-N 373.424 3.535 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccco2)CC1 40097867 DZYZGCYBPSDFLQ-UHFFFAOYSA-N 353.344 3.648 0 40 FHAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cc1 40129450 XMSVJHDGYSONAR-UHFFFAOYSA-N 366.508 3.875 0 40 FHAB CCCn1nc(C(=O)N(C2CC2)[C@H](C)c2ccc(Cl)cc2)ccc1=O 45397594 YKOCVCIJHGQKKK-CYBMUJFWSA-N 359.857 3.673 0 40 FHAB Cc1cccc(C)c1OCCC(=O)NCc1ccc(Cn2ccnc2)cc1 46354540 GAJDVOYEPFPLPQ-UHFFFAOYSA-N 363.461 3.634 0 40 FHAB O=C(CCOc1ccccc1Cl)NCc1ccc(Cn2ccnc2)cc1 46354597 ZATDGKDDJOHIQC-UHFFFAOYSA-N 369.852 3.670 0 40 FHAB COc1ccc(OCCN(C)C(=O)CCC(=O)c2ccc(C)s2)cc1 47531713 CLLSCGGADJXUHJ-UHFFFAOYSA-N 361.463 3.565 0 40 FHAB CC(C)OCc1cccc(CNC(=O)CCCc2nc(C(C)(C)C)no2)c1 49149996 SYIHDZMOHQIYIK-UHFFFAOYSA-N 373.497 3.931 0 40 FHAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)CCCOc1ccc(C(C)(C)C)cc1 58061061 RHXKNTGBATXXFN-JKSUJKDBSA-N 362.514 3.563 0 40 FHAB CC(C)CCC[C@H](C)NC(=O)c1cccc(Oc2ccc3nncn3n2)c1 61722120 WXQHQJTUGXFHEJ-HNNXBMFYSA-N 367.453 3.861 0 40 FHAB CN(C)CCn1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)n1 62582287 FSMDYLICLONPPT-UHFFFAOYSA-N 358.442 3.565 0 40 FHAB C[C@H]1CN(c2ccc(NC(=O)c3cc(Cl)c[nH]3)cc2F)C[C@@H](C)O1 65477242 STJXKJMGFAOXKC-PHIMTYICSA-N 351.809 3.673 0 40 FHAB COc1cc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2)ccc1N1CCCC1=O 67032423 MMVUONPLOGIXQK-SJORKVTESA-N 368.408 3.703 0 40 FHAB CCOc1ccc(C(=O)Cn2nc(-c3cccc(Cl)c3)ccc2=O)cc1 67206822 GPMKGKKGFOWGTO-UHFFFAOYSA-N 368.820 3.845 0 40 FHAB Cc1ccc(-n2cc(C(=O)NCCc3ccc(Cl)cc3)nn2)cc1C 67261917 CUGHLGKQSPHZHC-UHFFFAOYSA-N 354.841 3.510 0 40 FHAB C[C@]1(C(=O)O)CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 70051637 VOQFOIAFEGUNRZ-OAQYLSRUSA-N 351.402 3.875 0 40 FHAB CCC(CC)[C@@H](CNC(=O)NCc1ccccc1COC)N1CCCC1 71925654 UKQPCNNKEPXCFJ-HXUWFJFHSA-N 361.530 3.533 0 40 FHAB C[C@@H]1CCCN(C(=O)c2cc(-c3cccnc3)c(N3CCOCC3)s2)C1 72396910 CCMDKERFXWINKZ-OAHLLOKOSA-N 371.506 3.519 0 40 FHAB O=C(NCCn1ccc2ccc(F)cc21)c1ccc(Br)o1 72400532 RZRQRLOWIRXGLV-UHFFFAOYSA-N 351.175 3.566 0 40 FHAB O=C(NCc1ccccc1N1CCOCC1)c1cc2c(s1)CCCCC2 84504892 AFLBCWMFQCZREZ-UHFFFAOYSA-N 370.518 3.784 0 40 FHAB Cc1cc(C)cc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)c1 95482434 RVMKCKHOLBVRHM-AWEZNQCLSA-N 371.462 3.841 0 40 FHAB C[C@@H](OC(=O)c1ccnc(C2CC2)n1)c1c(F)cccc1-n1cccn1 95970889 KEVGIYXKLVENSK-GFCCVEGCSA-N 352.369 3.597 0 40 FHAB Cc1ccc(-c2nc(C(=O)NCc3ccc(OC(C)C)cc3)no2)cc1 96105476 OTXJIBGMLOEBHI-UHFFFAOYSA-N 351.406 3.762 0 40 FHAB Cc1cc2nc(CO[C@H]3CN(C(=O)c4ccccc4)C[C@H]3F)[nH]c2cc1C 96112083 RISOSVMGECRIAR-APWZRJJASA-N 367.424 3.559 0 40 FHAB biogenic,in-vitro COc1ccc(-c2ccnc3nc(Cc4cc(F)cc(F)c4)nn23)c(F)c1 96345080 RDWBMJAIPNAHCK-UHFFFAOYSA-N 370.334 3.808 0 40 FHAB Cc1ccc(C(=O)c2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)cc1C 100508860 GSIUFUBNIGAUMP-LRGYGIHKSA-N 371.436 3.846 0 40 FHAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](CC(C)C)[C@H]3C2=O)c1 101034643 KBXOHNGGERDOMT-AQNXPRMDSA-N 364.445 3.720 0 40 FHAB O=C(Cc1cccc(Cl)c1)NCc1nc(-c2cccc(Cl)c2)no1 115408978 QIVSXTRYZPTDDR-UHFFFAOYSA-N 362.216 3.902 0 40 FHAB O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(C(F)(F)F)cn1 215713030 RGDZZIAYVZOZLH-UHFFFAOYSA-N 352.341 3.708 0 40 FHAB O=C(O)[C@H]1CCCN(c2cc(Nc3ccc(C(F)(F)F)cc3)ncn2)C1 217366342 YSLPCROORUFMLC-NSHDSACASA-N 366.343 3.540 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C)cc1 222926611 QZFXXXKXEDJJTF-INIZCTEOSA-N 372.896 3.744 0 40 FHAB Cc1cc(C)cc(OCCNC(=O)COc2cccc3c2CCCC3)c1 224109021 OKNBVUPEQGUHFO-UHFFFAOYSA-N 353.462 3.756 0 40 FHAB O=C(NCc1nccc(N2CCCCC2)n1)Nc1ccc2ccccc2c1 224162875 FETGXDABSJRFFS-UHFFFAOYSA-N 361.449 3.942 0 40 FHAB COC[C@H](C)NC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2C)c1 224284077 BLBWGYGTTAEEGE-INIZCTEOSA-N 371.477 3.964 0 40 FHAB COCc1cc(C(=O)Nc2ccccc2Br)ccc1OC 224396587 FMPMBKUEGPTUFP-UHFFFAOYSA-N 350.212 3.856 0 40 FHAB CSc1nnc(NC(=O)CSCc2c(F)cccc2Cl)s1 225380173 XGKRIJXZBVCZCL-UHFFFAOYSA-N 363.892 3.924 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)NCc1ccnc(-c2cccs2)c1 225652933 ULIKMWNIWFQSBZ-UHFFFAOYSA-N 362.451 3.736 0 40 FHAB COC(=O)c1cc(NC(=S)NCc2cccc(OC)c2)ccc1Cl 225834570 JCFNADWNIDQSII-UHFFFAOYSA-N 364.854 3.622 0 40 FHAB CCOCCOc1ccc(NC(=O)C2(OCC)CCCCCC2)c(C)n1 225899584 AONMZWARSZDGLX-UHFFFAOYSA-N 364.486 3.873 0 40 FHAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N(C)C)[C@@H]1c1cccs1 257173720 VQEPTPBLFZKNJB-MSOLQXFVSA-N 356.491 3.773 0 40 FHAB CC[C@](C)(OC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@H](C)C2)cc1 260818179 WRXUPVWGGBHFQZ-FIKGOQFSSA-N 362.514 3.797 0 40 FHAB Cc1cc(C)c2nc(NC(=O)c3cn(C4CC4)c(C)cc3=O)sc2c1 283794709 WKSQTSVLXDNBFH-UHFFFAOYSA-N 353.447 3.970 0 40 FHAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3cc4ccccc4s3)C2)c1F 390828108 OUNICOXSEWQXTL-CYBMUJFWSA-N 371.437 3.686 0 40 FHAB O=C(O)[C@@H]1CS[C@H](c2ccc(Sc3nc4ccccc4s3)o2)N1 408994539 ZOWWNPGSLOWSRD-TVQRCGJNSA-N 364.473 3.829 0 40 FHAB COc1cc(OC)cc([C@H](C(=O)O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)c1 563282240 GLDVBSHWBWYRSQ-ONGXBYRLSA-N 369.461 3.955 0 40 FHAB Cc1c(Cl)cccc1S(=O)(=O)NCc1ccc(-c2ccoc2)o1 575611844 YFLOUUCCSOCDSP-UHFFFAOYSA-N 351.811 3.980 0 40 FHAB CN(CCN[C@H]1CCC[C@@H](Oc2ccccc2Cl)[C@@H]1O)c1ccccc1 585290537 XUHMOBFTIYRSJO-CEWLAPEOSA-N 374.912 3.727 0 40 FHAB CSCC1(CCNC(=O)c2nn(C(C)(C)C)cc2Br)CC1 597987592 VPMMLPXKYVZTOI-UHFFFAOYSA-N 374.348 3.664 0 40 FHAB COc1cccc(C2(CNC(=O)N3CCC[C@@H]3c3cccnc3)CC2)c1 638139513 UKQMUWBWYLLDLF-LJQANCHMSA-N 351.450 3.669 0 40 FHAB C[C@H]1CN(CCOc2ccc(C(=O)O)cc2Cl)CC2(CCCCC2)O1 656192537 ZPRBTBVVQVHCAS-AWEZNQCLSA-N 367.873 3.841 0 40 FHAB CO[C@@H](Cn1cnc2c(F)ccc(Br)c2c1=O)C1CCCC1 664102857 RBWMVWIWGUAJHU-ZDUSSCGKSA-N 369.234 3.503 0 40 FHAB CN(C)c1cccc(CNC(=O)c2cc(-c3ccc4ccccc4c3)[nH]n2)n1 1566536208 CUBSFGHVSVIYHY-UHFFFAOYSA-N 371.444 3.621 0 40 FHAB COc1cc(CNCc2ccc(Br)cc2)cc(OC)c1OC 1192875 GGUKKMZUOIQIQQ-UHFFFAOYSA-N 366.255 3.765 0 40 FHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc12 1366341 CMBYFLASZPCAQG-GHMZBOCLSA-N 373.457 3.527 0 40 FHAB COc1cccc(NC(=O)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccco2)c1 1369161 FHNPRHRFEKDWLJ-QZTJIDSGSA-N 369.465 3.995 0 40 FHAB COc1ccc(-c2nc(CC(=O)N[C@H](C)c3cccnc3)cs2)cc1 12551899 PVWVQETWAHWKHD-CYBMUJFWSA-N 353.447 3.634 0 40 FHAB O=C(Nc1ccc(Br)cn1)c1c(F)c(F)c(F)c(F)c1F 2772671 QTGDSVOYMXTIIT-UHFFFAOYSA-N 367.071 3.792 0 40 FHAB CCOC(=O)C1=C(N)Oc2c(ccc3cccnc23)[C@H]1c1cccc(F)c1 3073378 CAOUNIWKBXELJL-MRXNPFEDSA-N 364.376 3.632 0 40 FHAB O=C(NCc1cnn(-c2ccccc2)c1)N1CC=C(c2ccc(O)cc2)CC1 55076913 UJVUIDMXMIXKLN-UHFFFAOYSA-N 374.444 3.577 0 40 FHAB C[C@H](OC(=O)c1c[nH]nc1-c1ccccc1)C(=O)c1c[nH]c2ccccc12 25048520 ZWFAPIDEYMNJIW-ZDUSSCGKSA-N 359.385 3.986 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Cc1c[nH]c2ccccc12 8388151 OOLUITWTECHZFW-UHFFFAOYSA-N 358.445 3.829 0 40 FHAB CN(C(=O)COC(=O)c1ccc2ccccc2n1)[C@H]1CCCc2ccccc21 8447775 LKJDHHNUBSQXLW-NRFANRHFSA-N 374.440 3.928 0 40 FHAB C[C@H]1CCc2ccccc2N1CC(=O)N(C)Cc1cnn(-c2ccccc2)c1 25452854 CMBVEEICZLEGQV-SFHVURJKSA-N 374.488 3.672 0 40 FHAB O=C(NCCc1cnn(-c2ccccc2)c1)c1[nH]c2ccccc2c1Cl 56324976 DSUPRZKDENKEOE-UHFFFAOYSA-N 364.836 3.980 0 40 FHAB CCN(CC)C(=O)Oc1cccc(Cl)c1I 26896193 ANBZHVNIALJFQJ-UHFFFAOYSA-N 353.587 3.785 0 40 FHAB Fc1ccc(-c2nnc(SC[C@@H]3CCCO3)n2C[C@@H]2CCCO2)cc1 44171756 ZXXDLBLSOZSJOJ-HOTGVXAUSA-N 363.458 3.534 0 40 FHAB O=C1N[C@@H]2[C@@H](Cc3ccccc3O)c3ccccc3CN2c2ccccc21 1788272 ZYKNBHAKRJETJG-UGKGYDQZSA-N 356.425 3.808 0 40 FHAB CCc1cc(=O)n(CC(=O)Nc2ccccc2CC)c(-c2ccccc2)n1 57527154 JCKJOIVUNVGSIF-UHFFFAOYSA-N 361.445 3.674 0 40 FHAB CC[C@H](C)n1nccc1NC(=O)N(CCO)[C@H]1CCCc2ccccc21 95446397 HFGOFQZHKKUWTD-YJBOKZPZSA-N 356.470 3.758 0 40 FHAB Cc1cc(C)cc(COC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)c1 10242568 FVQJBXFXCLZTLV-UHFFFAOYSA-N 352.839 3.717 0 40 FHAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)c3cccnc3)n2)cn1 44921178 OJMMPENRFWCBSI-UHFFFAOYSA-N 357.373 3.754 0 40 FHAB CC1CCC(N(C)C(=O)c2cccc(NC(=O)CCn3ccnc3)c2)CC1 58380908 OKODDNXOFUBCNP-UHFFFAOYSA-N 368.481 3.563 0 40 FHAB COc1cc2c(cc1OC)-c1cc(Nc3cccc(C)c3)nc(=O)n1CC2 2393182 BUXHCEJLLKQAGC-UHFFFAOYSA-N 363.417 3.536 0 40 FHAB CCOc1ccc(C(=O)OCc2nnc(-c3cccs3)o2)cc1OC 3363144 DBJWCDNFJHSNAE-UHFFFAOYSA-N 360.391 3.562 0 40 FHAB CCN(CC)c1ccc(-c2nn3c(-c4cccnc4)nnc3s2)cc1 2349225 OSWNMRLFEDXYOC-UHFFFAOYSA-N 350.451 3.761 0 40 FHAB CN(C)[C@@H](CNC(=O)Cc1csc(-c2ccccc2)n1)c1ccccc1 3310034 WHWQLYTWLXBJBU-IBGZPJMESA-N 365.502 3.772 0 40 FHAB COc1ccc(N[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c(OC)c1 28795606 DDEXMIATWAXYRX-SECBINFHSA-N 370.236 3.845 0 40 FHAB C[C@@H](SCc1ccccc1)C(=O)NC[C@@H]1CCN(c2ccccc2)C1 48356113 FAFCEPZCTOPHSE-MJGOQNOKSA-N 354.519 3.951 0 40 FHAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C(C)C)c1 29377268 QXRDZBDELKJREH-NRFANRHFSA-N 363.461 3.977 0 40 FHAB O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1cccc(Cl)c1 2514730 ZSFVUHVKLGOLBA-UHFFFAOYSA-N 371.864 3.910 0 40 FHAB O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)N1CCc2ccccc2C1 60127572 URXHVDKOPULUFX-OAHLLOKOSA-N 371.431 3.559 0 40 FHAB O=C(c1cc2cc(Br)ccc2o1)N1CC[C@H](N2CCCC2)C1 60373982 VQZRLKPYHKMMLH-AWEZNQCLSA-N 363.255 3.506 0 40 FHAB Cc1c(C(=O)Nc2ccc(Br)cc2)nnn1-c1ccccc1 2692761 SGAZBMNURNAFCI-UHFFFAOYSA-N 357.211 3.591 0 40 FHAB Cc1nnc(SCC(=O)c2ccc(F)c(F)c2)n1Cc1ccccc1 2644449 AAUQBQSDICACKD-UHFFFAOYSA-N 359.401 3.888 0 40 FHAB COC(=O)Cn1c(SCCOc2cccc(C)c2C)nc2ccccc21 12062282 ILDGSBVXRRWHSJ-UHFFFAOYSA-N 370.474 3.997 0 40 FHAB C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 3485753 ZKTAUUWOUWGLFB-GFCCVEGCSA-N 364.902 3.629 0 40 FHAB CCOC(=O)c1c(C)nc(Nc2nc(C)c3cc(C)ccc3n2)nc1C 20634091 SOZSOCQQNFKQDH-UHFFFAOYSA-N 351.410 3.574 0 40 FHAB CCCc1cc(C(=O)OCC)c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)s1 2767480 FKWCOLVJWHZVLL-CHWSQXEVSA-N 367.467 3.707 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCC2)s1 24070862 FBKNHALCZYXRBC-UHFFFAOYSA-N 364.492 3.530 0 40 FHAB COC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 12918177 QZBQNPMUAMKFOI-UHFFFAOYSA-N 360.218 3.581 0 40 FHAB Cc1ccc(C(=O)N2[C@@H](C(=O)O)CS[C@H]2c2ccccc2Cl)cc1 3620464 BDCKQLQRWJGVHI-WBVHZDCISA-N 361.850 3.989 0 40 FHAB NC(=O)Nc1ccc(C(=O)OCc2csc(-c3cccs3)n2)cc1 13016215 DNXSFYQHAVXEDU-UHFFFAOYSA-N 359.432 3.719 0 40 FHAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccnn1C[C@@H]1CCOC1 63827536 VOBXPVXXCURKEX-OHVSUOQFSA-N 366.248 3.878 0 40 FHAB O=C1C[C@@H](c2nc3ccccc3[nH]2)CN1c1ccc(Br)cc1 4033367 AJXPVJMOBKEQDM-LLVKDONJSA-N 356.223 3.846 0 40 FHAB COc1cccc(-c2nc(Cn3nc(C)nc3-c3ccccn3)cs2)c1 84280417 OEKKODCBDVQVAG-UHFFFAOYSA-N 363.446 3.829 0 40 FHAB CC(C)CNc1nnc(S[C@@H](C(=O)NC2CC2)c2ccccc2)s1 14094433 YVNAUPGHRFRURD-CQSZACIVSA-N 362.524 3.718 0 40 FHAB CC(=O)c1ccc(-c2ccc(C(=O)NCc3ccc4c(c3)OCO4)o2)cc1 14171709 ANTCMSLWNSFWPT-UHFFFAOYSA-N 363.369 3.808 0 40 FHAB COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H](NC(=O)c1ccco1)C(C)C 14242004 DVKFGJKNPMYHBL-SFHVURJKSA-N 372.465 3.979 0 40 FHAB CS(=O)(=O)N(Cc1ccccn1)Cc1csc(C2CCCCC2)n1 65947841 HWTCINUSJVCHKN-UHFFFAOYSA-N 365.524 3.548 0 40 FHAB CCOc1ccccc1C(=O)NCCCC(=O)Nc1cccc(SC)c1 9335566 WBKUEXFCIQOTQJ-UHFFFAOYSA-N 372.490 3.956 0 40 FHAB O=C(CCNc1ccc(C(=O)c2ccncc2)cc1)c1ccc2c(c1)OCO2 4708656 HSZIZWGAYHSFNO-UHFFFAOYSA-N 374.396 3.726 0 40 FHAB Cc1occc1-c1nnc(S[C@@H]2C[C@@H](C)OC2=O)n1-c1ccccc1 9471148 RUQDQFGHSKWZFU-IAQYHMDHSA-N 355.419 3.632 0 40 FHAB O=c1c2sccc2n(Cc2ccc(F)cc2)c(=O)n1-c1cccc(F)c1 67258286 KFUHOIOOMKDXAZ-UHFFFAOYSA-N 370.380 3.540 0 40 FHAB Cc1cc(=O)c(C(=O)Nc2ccccc2Cl)nn1-c1ccccc1F 15576290 QRCDZOWYCHEVDR-UHFFFAOYSA-N 357.772 3.586 0 40 FHAB O=C(CCCc1cccs1)Nc1ccc(S(=O)(=O)C(F)F)cc1 15998731 FHUYHMFYABFGSS-UHFFFAOYSA-N 359.419 3.706 0 40 FHAB CCN1CCC[C@H]1CNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 7960766 KGASUGDVMKMWAM-INIZCTEOSA-N 368.506 3.610 0 40 FHAB Cc1ccc(OCC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c(C)c1 8160390 DPHXOPCOAWXFCO-LJQANCHMSA-N 355.434 3.879 0 40 FHAB CCCCS(=O)(=O)Nc1c(C)nn(Cc2ccc(F)cc2Cl)c1C 28577218 BFCHYDNWZDKKHA-UHFFFAOYSA-N 373.881 3.883 0 40 FHAB O=C(CNc1ccc(C(F)(F)F)cc1)Nc1cccc2nsnc12 19096502 LZBXIOKYPWFYSX-UHFFFAOYSA-N 352.341 3.761 0 40 FHAB Cc1nc(C)c(COC(=O)Cc2cc(Br)ccc2F)s1 95972098 FFTZTIPNHQIPKT-UHFFFAOYSA-N 358.232 3.947 0 40 FHAB CC(C)[C@@H](O)c1ccccc1NC(=O)c1ccc(NC(=O)C2CC2)cc1 89801793 XFRIZKCPKDATKD-LJQANCHMSA-N 352.434 3.977 0 40 FHAB CCc1nnc2sc(-c3ccc(NC(=O)c4ccc(C)cc4)cc3)nn12 20609711 YQRVVPDXUCODKQ-UHFFFAOYSA-N 363.446 3.976 0 40 FHAB CN1C(=O)CC[C@@H](C(=O)Nc2cc(C3CCCC3)[nH]n2)[C@@H]1c1ccccc1 172335966 UHQKNIVCCVXLMD-UZLBHIALSA-N 366.465 3.616 0 40 FHAB O=C(Cc1ccccc1)NC(=S)Nc1ccc(Br)cc1F 408624864 CULMGNMUNHAHDE-UHFFFAOYSA-N 367.243 3.644 0 40 FHAB CC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 408708828 UCTZYWOOBGZCLA-VIQWUECVSA-N 356.510 3.756 0 40 FHAB COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(Br)cc1O 409021638 RGSKABLTSMKLMS-LFYBBSHMSA-N 372.240 3.608 0 40 FHAB CC(C)(C)C1CC(C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)C1 556715229 BDMKNDHFOXIVCJ-UHFFFAOYSA-N 356.466 3.737 0 40 FHAB COc1ccc(C)cc1NC(=O)CNC(=O)C1CCC(C(C)(C)C)CC1 32754004 WULZOAPPMQEAKU-UHFFFAOYSA-N 360.498 3.911 0 40 FHAB O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1cccs1 31854054 GHHCMKKXQNVLTH-UHFFFAOYSA-N 367.474 3.601 0 40 FHAB Cc1ccc(C)c(N2C(=O)C[C@@H](Nc3ccccc3Br)C2=O)c1 36635491 FKOJURJADNXYJD-OAHLLOKOSA-N 373.250 3.810 0 40 FHAB CC1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(Cl)c(Cl)c1 71979869 CUVPKIDXIXNODW-FBUIMKQZSA-N 372.248 3.825 0 40 FHAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CC[C@@H](n2cnc3cccnc32)C1 72366046 ZYGWIMLJUKGUAT-CQSZACIVSA-N 365.824 3.653 0 40 FHAB COC(=O)c1cccc(NC(=O)C2CCN(Cc3ccccc3)CC2)c1C 39741420 SHWDBIJCYVJTIZ-UHFFFAOYSA-N 366.461 3.632 0 40 FHAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCC(c2noc3ccccc23)CC1 32646446 XSONCURIJPHWFI-UHFFFAOYSA-N 373.412 3.689 0 40 FHAB O=C(c1ccccc1Cl)N1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21 40386335 DFTMIZAGNDUKLM-QGZVFWFLSA-N 368.820 3.522 0 40 FHAB CCO[C@](C)(C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1)C1CC1 225723423 FOPZTXGGECWUEX-QFIPXVFZSA-N 374.525 3.941 0 40 FHAB C[C@]1(C(=O)NCCCc2cccc(F)c2)CC(c2cccc(F)c2)=NO1 223278739 YAKBBPKAXUGLMW-HXUWFJFHSA-N 358.388 3.597 0 40 FHAB COc1cccc(OCCNC(=O)CCCOc2ccc(Cl)cc2)c1 224145475 PIXPHNAFKUWDCJ-UHFFFAOYSA-N 363.841 3.703 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)c(C)c1 225092744 GIAYZAPXDWSQDU-IBGZPJMESA-N 367.489 3.935 0 40 FHAB O=C([C@@H]1Cc2nc(-c3ccccc3)sc2N1CC1CC1)N1CCCCC1 96264428 HWUWGQKCIFAXSH-SFHVURJKSA-N 367.518 3.964 0 40 FHAB CCCC(=O)Nc1nc2ccc(NC(=O)Cc3cnccc3C)cc2s1 585101398 HBYJUGBLNIYFAP-UHFFFAOYSA-N 368.462 3.920 0 40 FHAB CN(C[C@H]1CC=CCC1)C1CCC2(CC1)CNC(=O)c1ccccc1O2 257307136 SXIOYFKOWDAKET-LYGNXSNRSA-N 354.494 3.778 0 40 FHAB O=C(c1cncnc1)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257235266 GXCMKKLSFXSRMN-KRWDZBQOSA-N 368.824 3.686 0 40 FHAB Cc1cccc(Nc2cncc(C3CCN(C(=O)c4ccccc4)CC3)n2)n1 257280633 OLQRBLVYZGAFTQ-UHFFFAOYSA-N 373.460 3.943 0 40 FHAB O=C(NC1CC1)C1(Cc2ccc(-c3cccnc3)cc2F)CCOCC1 257209910 BSJRMMQXFYFZIW-UHFFFAOYSA-N 354.425 3.506 0 40 FHAB Cc1cc([C@@H]2CCCN(C(=O)N[C@H](C)c3cn(C(C)(C)C)nc3C)C2)[nH]n1 282785780 PFLMNFKCQHZJSW-GDBMZVCRSA-N 372.517 3.628 0 40 FHAB CC(C)[C@H](NC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1)C1CC1 620044150 AAKBHMCOLGBXLZ-SFHVURJKSA-N 363.523 3.714 0 40 FHAB C[C@](CNC(=O)c1cscc1C(F)(F)F)(C(=O)O)c1ccccc1 621537303 MZGNCBIWNOKFJL-OAHLLOKOSA-N 357.353 3.539 0 40 FHAB C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1Cc1nc(C(=O)O)co1 629377201 MAHLQDBZOSWSGG-CMPLNLGQSA-N 365.227 3.513 0 40 FHAB CC(C)C[C@H](C)n1nccc1NC(=O)Nc1ccn(C2CCOCC2)n1 666676811 AMDGBRCIBQSZJU-AWEZNQCLSA-N 360.462 3.682 0 40 FHAB COc1ccc(Nc2cc(N[C@@H](C)c3cncs3)ncn2)c(OC)c1 1615539781 UUUNBILIQREXGX-NSHDSACASA-N 357.439 3.867 0 40 FHAB Cc1cccc(CN2CC3(C[C@@H](OCc4cccc(C)n4)CCO3)C2)c1 585105278 SCFYYHVJRURNJV-NRFANRHFSA-N 352.478 3.649 0 40 FHAB CC[C@H](C(=O)Nc1nc(-c2c(F)cc(F)cc2F)c(C)s1)C(=O)OC 549302966 NINFNNJZFUPNCB-SECBINFHSA-N 372.368 3.674 0 40 FHAB CCc1ccc(C)cc1OCC(=O)N1CCc2cc(OC)c(OC)cc2C1 95452509 OEJKPSLRBQJYNY-UHFFFAOYSA-N 369.461 3.538 0 40 FHAB COc1cc(Cl)cc(C(=O)NCCc2ccn(-c3ccccc3)n2)c1 550008393 SFYAUTADPUZWKU-UHFFFAOYSA-N 355.825 3.507 0 40 FHAB Cn1c(N2CCC(C(=O)N[C@H]3CCc4ccccc43)CC2)nc2ccccc21 12116346 CKDAVFPOXTWTAE-IBGZPJMESA-N 374.488 3.593 0 40 FHAB COc1ccc(CN(C)C(=O)COc2ccc(Cl)cc2C)c(OC)c1 13096229 POXCQCYOLGUWCB-UHFFFAOYSA-N 363.841 3.703 0 40 FHAB CN(C)C(=O)Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 13715345 AYZCOAPQFUNTBA-UHFFFAOYSA-N 350.340 3.588 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 18109365 GBNDMJMRHUKKJA-STQMWFEESA-N 361.825 3.756 0 40 FHAB CC(C)CC(=O)N1CC[C@@](Cc2ccc(-c3cccs3)cc2)(C(N)=O)C1 19446176 KGYUNLXYRINOCA-NRFANRHFSA-N 370.518 3.708 0 40 FHAB Nc1nc(-c2ccccc2)nc2nc([C@H]3CCCN(CC4CC4)C3)ccc12 19743344 IMDLMHAHCIHNJK-KRWDZBQOSA-N 359.477 3.863 0 40 FHAB COc1ccccc1NC(=S)NC(=O)c1cc(Cl)nc(Cl)c1 2243740 MYCDZRSPGVOWTH-UHFFFAOYSA-N 356.234 3.524 0 40 FHAB O=C1OC(c2cccc3ccccc23)=N/C1=C/c1ccc2c(c1)OCCO2 719556 CJNYETWLVFTPJB-LDADJPATSA-N 357.365 3.956 0 40 FHAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 4988601 HXQNGZZDBVIKLU-OXJNMPFZSA-N 368.429 3.981 0 40 FHAB Cc1csc(=O)n1CCCC(=O)Nc1nc2ccc(Cl)cc2s1 9515315 WLWYNXNPJNDLLX-UHFFFAOYSA-N 367.883 3.900 0 40 FHAB Cc1cc(NC(=O)[C@H](OC(=O)Cc2cccs2)c2ccccc2)no1 16743315 GZSCBRZRTDZAHH-QGZVFWFLSA-N 356.403 3.510 0 40 FHAB Cc1ccc(-c2nc(C)sc2CC(=O)N(C)Cc2cc(C)on2)cc1 25135587 JTQBSGSJFHWLBG-UHFFFAOYSA-N 355.463 3.924 0 40 FHAB CCOc1ccc(N2C[C@@H](c3nc(-c4ccc(C)cc4)no3)CC2=O)cc1 9318629 NMTRGRCLOKCFOR-INIZCTEOSA-N 363.417 3.964 0 40 FHAB C[C@@]1(C(=O)N2CCC[C@@]3(CC2)CN(Cc2ccoc2)CCO3)CC=CCC1 2055793271 JLJDBENIXWNJRB-FGZHOGPDSA-N 372.509 3.610 0 40 FHAB C[C@H](NC(=O)c1ccc(Cl)cc1)[C@H](c1cccs1)N1CCOCC1 23181008 GSNHPMOHBGCPTK-SUMWQHHRSA-N 364.898 3.593 0 40 FHAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCC(n2ccnn2)CC1 206938954 YDIKKQYXQHVYDO-UHFFFAOYSA-N 373.416 3.564 0 40 FHAB O=C(NCc1nccnc1-c1ccsc1)c1ccccc1Br 575619737 PCNKQBJNUFIOEF-UHFFFAOYSA-N 374.263 3.898 0 40 FHAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc2c(c1)OCC(=O)N2 40056870 BHMWIBYRSNTXGX-GFCCVEGCSA-N 350.374 3.597 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H](Nc1ccn(C)n1)c1ccccc1 40039038 ZRDHPTJEJKKBCL-IBGZPJMESA-N 350.422 3.611 0 40 FHAB CCC(=O)Nc1ccc([C@H](C)NC(=O)c2oc3c(c2C)C(=O)CCC3)cc1 40133883 HKVTVYSPWGVTHE-ZDUSSCGKSA-N 368.433 3.947 0 40 FHAB Cc1nc(-c2ccccc2)ccc1C(=O)OCC(=O)N1C[C@H](C)C[C@@H](C)C1 31316351 SHDMNORNLGGGGV-HZPDHXFCSA-N 366.461 3.718 0 40 FHAB Cn1cc(C(=O)Nc2ccccc2F)c(-c2ccc3c(c2)OCCCO3)n1 20897234 AZBVMLXZOWARQP-UHFFFAOYSA-N 367.380 3.640 0 40 FHAB CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)cc3)on2)nc1C 21149530 MFSHPKBZTISTGN-UHFFFAOYSA-N 371.418 3.844 0 40 FHAB O=C1C[C@H](C(=O)Nc2ccccc2OC(F)(F)F)c2ccccc2N1 21898783 GTASPWDJXTYXIW-NSHDSACASA-N 350.296 3.650 0 40 FHAB Cc1cc(C)cc(C2(C(=O)NCc3cccnc3-n3ccnc3C)CC2)c1 53182774 ULXKXKXNPAFHIT-UHFFFAOYSA-N 360.461 3.541 0 40 FHAB Cc1[nH]c2ccc(-c3nnc(SCC(=O)NC(C)(C)C)o3)cc2c1C 1223305 FXFGACZEHIJTLI-UHFFFAOYSA-N 358.467 3.842 0 40 FHAB CCOC(=O)CSc1ncc(OC)c(Sc2ccccc2Cl)n1 1388547 RJWJLWJVHGZHHO-UHFFFAOYSA-N 370.883 3.945 0 40 FHAB CCOc1ccc([C@H]2C[C@@H](c3ccccc3OC)n3ncnc3N2)cc1 2369336 JJVIPUHAVYLQPG-MSOLQXFVSA-N 350.422 3.832 0 40 FHAB CC(C)C(=N)N[C@H](NC(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl 3109672 RICNYAJJWJTAOJ-GFCCVEGCSA-N 371.095 3.989 0 40 FHAB Cc1ccc(Nc2nnc(SCC(=O)NC(C)(C)C)s2)c(C)c1 3291791 ISJOQDCGCKLIBB-UHFFFAOYSA-N 350.513 3.905 0 40 FHAB CCOc1ccc(CC(=O)NCC2(N3CCCCC3)CCCCC2)cc1 3314413 JYGHQMDQLLQMSN-UHFFFAOYSA-N 358.526 3.933 0 40 FHAB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c2ccccc2n1 3366797 SGVVZNPMPVYQFE-LBPRGKRZSA-N 369.808 3.776 0 40 FHAB COC(=O)c1ccc(CSc2nnc3c(Cl)cc(Cl)cn23)o1 3404032 WALKKMRODCYMIX-UHFFFAOYSA-N 358.206 3.708 0 40 FHAB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCC#N 3615918 UILNNFRQLWBHDC-GZTJUZNOSA-N 361.401 3.760 0 40 FHAB CC(C)COc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 4332883 TYTYIFFNBXISDK-INIZCTEOSA-N 355.434 3.756 0 40 FHAB COc1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3C)o2)cc1OC 4479448 OKZAAZUIVXEZKX-UHFFFAOYSA-N 353.378 3.623 0 40 FHAB CC[C@H](Oc1ccccc1)C(=O)Nc1nnc(Cc2ccccc2)s1 4814238 MLHFUXOJOYFUQX-INIZCTEOSA-N 353.447 3.925 0 40 FHAB COc1cc2ccccc2cc1C(=O)OCC(=O)N[C@H]1CCCC[C@@H]1C 4836147 GOVHUJNNKCRNCM-KSSFIOAISA-N 355.434 3.700 0 40 FHAB CCOc1ccc(Cc2nnc(Nc3cc(C)ccc3C)[nH]c2=O)cc1 5154400 BBMGSZWYKSXSOY-UHFFFAOYSA-N 350.422 3.515 0 40 FHAB Cc1ccc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c(C)c1 5439692 BXFJTUJVMNLFPT-UHFFFAOYSA-N 372.490 3.794 0 40 FHAB CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2ccccc2C(=O)O)c1 6570321 JITVDIQHKHELHU-GFCCVEGCSA-N 372.446 3.689 0 40 FHAB CCSc1nnc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)s1 6788564 CBKUFOQZPJDDFR-UHFFFAOYSA-N 359.480 3.705 0 40 FHAB C[C@H](CNC(=O)[C@@H](C)OC(=O)c1ccc(Cl)cc1O)c1ccccc1 7199482 CLJYPJFVHUJQBL-CHWSQXEVSA-N 361.825 3.511 0 40 FHAB O=C(Nc1cccc(Br)c1)c1cccc(CN2CCCC2=O)c1 7914371 ORXRPDISQBJSEB-UHFFFAOYSA-N 373.250 3.824 0 40 FHAB CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2cn3ccccc3n2)cc1 8054028 LTASAIGLFAWRDG-UHFFFAOYSA-N 366.421 3.611 0 40 FHAB Cc1ccc(-c2nnn([C@H](C)C(=O)c3ccc(OC(F)F)cc3)n2)cc1 8429045 IWSORSHXOCQRQU-GFCCVEGCSA-N 358.348 3.694 0 40 FHAB C[C@H](OC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)C(=O)c1ccc(F)cc1 8716343 MOYFPTGKNYPHHC-WDEREUQCSA-N 373.405 3.687 0 40 FHAB C[C@@H](c1ccccc1)N(C)C(=O)Cc1csc(NC(=O)c2ccco2)n1 8775912 OCEDWPOXYQYBSC-ZDUSSCGKSA-N 369.446 3.751 0 40 FHAB Cc1cc(CNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)ccc1F 10612934 HXMDNROUUGNFNO-UHFFFAOYSA-N 367.399 3.878 0 40 FHAB CCn1nnc2cc(C(=O)O[C@@H](C)C(=O)c3cc(C)c(C)cc3C)ccc21 10855610 RLNBQCDXGAKOPW-HNNXBMFYSA-N 365.433 3.805 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[C@H]1OC(=O)c2ccccc21 11059937 UCPOECHEULKPOI-GOSISDBHSA-N 361.401 3.729 0 40 FHAB COc1cccc(NC(=O)Cn2cc(-c3nnc(C)o3)c3ccccc32)c1 11695933 GUBQOEXQCBNRBI-UHFFFAOYSA-N 362.389 3.647 0 40 FHAB C[C@@H]1CN(C)CC[C@@H]1CCc1ccc(NC(=O)c2n[nH]c3c2CCC3)cc1 12144912 ZDJXYZAJHDCBSI-WBVHZDCISA-N 366.509 3.671 0 40 FHAB O=c1c(-c2ncc(C(F)(F)F)cc2Cl)c[nH]c2cc3c(cc12)OCO3 12338534 GKIRCQYDDIEJFY-UHFFFAOYSA-N 368.698 3.991 0 40 FHAB CCOc1ncccc1CNC(=O)N[C@H]1CCSc2ccc(F)cc21 12544979 IMNHGZSJBGRSMP-HNNXBMFYSA-N 361.442 3.656 0 40 FHAB COc1cc(SC)ccc1C(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 12599595 CSNRVDFVKCIHGP-DVOMOZLQSA-N 365.495 3.515 0 40 FHAB C[C@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1 12921825 LUMFQYTXWSFHTG-ZDUSSCGKSA-N 369.852 3.777 0 40 FHAB O=C(COc1c(Cl)cccc1Cl)N1CCN(c2ccccc2)CC1 13097150 MYVATDQDQRVTIT-UHFFFAOYSA-N 365.260 3.721 0 40 FHAB Cc1nnc(SCC(=O)Nc2ccc(F)cc2F)n1-c1ccccc1 13098792 QNNNCNRFTDVLBW-UHFFFAOYSA-N 360.389 3.585 0 40 FHAB CCOC(=O)c1sc2nc([C@@H](C)Nc3cccc(C)c3)[nH]c(=O)c2c1C 13135236 RYEQAGDCHRCPTE-GFCCVEGCSA-N 371.462 3.951 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1C 14014713 KSAKIXKPKMKNCQ-UHFFFAOYSA-N 367.449 3.713 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)c1 14398766 QOGZGNSFKNZZTF-INIZCTEOSA-N 354.450 3.787 0 40 FHAB CCCCCC1=NN(C(=O)c2ccc(OC)cc2)[C@@](O)(C(F)(F)F)C1 15223954 FXJRBEJCKUUZQK-INIZCTEOSA-N 358.360 3.728 0 40 FHAB Cc1ccc(C(=O)NCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1C 15566526 BNPNYYGJXLAJBB-UHFFFAOYSA-N 350.340 3.691 0 40 FHAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cccnc1Cl 15978105 STNPSGFUDYYQLF-IPYPFGDCSA-N 353.846 3.896 0 40 FHAB COc1ccc(-c2nc(CC(=O)N3CCC[C@@H](C)C3)cs2)cc1OC 16641840 YDQDOQCGXTYQLO-CYBMUJFWSA-N 360.479 3.628 0 40 FHAB Cc1cccc(N2C(=O)/C(=C/Nc3ccccc3O)c3ccccc3C2=O)n1 17723928 SMVQIGJVLUNBQW-GHRIWEEISA-N 371.396 3.736 0 40 FHAB O=C([C@@H](Sc1nnc(-c2ccc[nH]2)o1)c1ccccc1)N1CCCCC1 18367585 KLXGZIVOKUFEHQ-INIZCTEOSA-N 368.462 3.911 0 40 FHAB CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccncc2)C1 19081993 CTSCWYPRJHWGPV-UYAOXDASSA-N 366.509 3.592 0 40 FHAB CN1CCN(C2(CNC(=O)c3ccc(C(C)(C)C)cc3)CCCCC2)CC1 19902182 NKXGFAHVHMZMBQ-UHFFFAOYSA-N 371.569 3.664 0 40 FHAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)C1 20490484 SNFPUROPGGJRBV-INIZCTEOSA-N 366.461 3.942 0 40 FHAB C[C@@H](NC(=O)Cn1nnc2ccccc21)c1cc(F)c(Cl)cc1Cl 21901490 OGJTUPVBXBLXFZ-SECBINFHSA-N 367.211 3.755 0 40 FHAB CN1CCN(Cc2cccc(C(=O)c3cccc(C(F)(F)F)c3)c2)CC1 22028047 ODWYKRKEGBTIQT-UHFFFAOYSA-N 362.395 3.684 0 40 FHAB Cc1cc(C)c(-c2csc(NC(=O)CN3C[C@@H](C)O[C@H](C)C3)n2)cc1C 22240604 MNTGVMMABXKRLB-HZPDHXFCSA-N 373.522 3.783 0 40 FHAB Cc1ccccc1[C@H](C)NC(=O)c1ccc(CSc2ncn[nH]2)cc1 22241342 FVYUMNIUNMAWSO-AWEZNQCLSA-N 352.463 3.896 0 40 FHAB Cc1cc(C)cc(OCCNC(=O)Cc2ccc(Br)cc2)c1 22480120 IMIRLVFMPJCGLL-UHFFFAOYSA-N 362.267 3.804 0 40 FHAB CC(=O)N[C@@H](CC(=O)N1CCc2sccc2[C@H]1C)c1ccc(C)cc1 24277390 ZGJKHULPURDODX-KDOFPFPSSA-N 356.491 3.770 0 40 FHAB C[C@@H]1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)c2ccccc2S1 24585087 SAYNHJKURFJRQJ-CYBMUJFWSA-N 361.488 3.621 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(-n2ccnc2)nc1 25011346 INIIQRGNBBZNNN-UHFFFAOYSA-N 356.813 3.717 0 40 FHAB C[C@H](NS(=O)(=O)Cc1ccccc1)c1ccccc1Br 25766177 HOROVSKSPXXOGL-LBPRGKRZSA-N 354.269 3.630 0 40 FHAB C[C@H]1CCCN(C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)C1 25966841 IKHGEXQSRYAZDN-FXAWDEMLSA-N 350.462 3.806 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 26842923 UZHKSCHOXJARRT-UHFFFAOYSA-N 371.776 3.875 0 40 FHAB Cc1ccc(S(=O)(=O)n2ccc3c2C(=O)[C@H](C)[C@H]3c2ccccc2)cc1 26897220 NECHEGOFASDHLR-BEFAXECRSA-N 365.454 3.998 0 40 FHAB CN(C)CCNCC[C@@]1(Cc2ccccc2Cl)CCOC(C)(C)C1 27579166 RSAJPJNXJQMVBQ-FQEVSTJZSA-N 352.950 3.999 0 40 FHAB CCOc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)cc1 27793060 YCZQNNBTLMMKIY-NRFANRHFSA-N 352.478 3.961 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)Nc1cc(C)nn1Cc1ccccc1 28243979 NHBRVYDLOLMDLJ-INIZCTEOSA-N 365.433 3.654 0 40 FHAB C[C@@H](C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1)n1cccn1 31612837 LCVSLMCXOIRDTD-ZDUSSCGKSA-N 368.824 3.989 0 40 FHAB Cc1cc(C)c2[nH]c(C)c(CCNC(=O)c3ccccc3C(=O)O)c2c1 32610971 YFOAHBOJSDDIFN-UHFFFAOYSA-N 350.418 3.764 0 40 FHAB Cc1cc(C)n2ncc(C(=O)N(Cc3c(F)cccc3Cl)C3CC3)c2n1 32795941 MQUHBUAWINELBN-UHFFFAOYSA-N 372.831 3.943 0 40 FHAB C[C@H](c1ccc(F)cc1)N(C)C(=O)CCC(=O)c1ccc2c(c1)OCCO2 33233285 RLQXMTIXGTVNOV-CQSZACIVSA-N 371.408 3.779 0 40 FHAB c1ccc(Cn2c(SCCN3CCCC3)nnc2-c2cccnc2)cc1 35314813 PLOQPDGKPJDXCN-UHFFFAOYSA-N 365.506 3.576 0 40 FHAB CC(C)NC(=O)Nc1ccc(CNC(=O)c2ccc(F)cc2Cl)cc1 36391224 BVWGLTQXHUTZPA-UHFFFAOYSA-N 363.820 3.939 0 40 FHAB O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCC[C@H](C(F)(F)F)C1 37133108 CHKYTHWOIQJBCR-DYLGSBMWSA-N 355.356 3.662 0 40 FHAB O=C1CCCc2[nH]c(=O)c(C(=O)Nc3ccccc3Oc3ccccc3)cc21 40039682 PPIQCOMVJKOSNL-UHFFFAOYSA-N 374.396 3.939 0 40 FHAB O=C(NCc1cccnc1Oc1cccc(F)c1)c1ccc2c(c1)CCO2 40094429 XTVJNOFMLVSQKY-UHFFFAOYSA-N 364.376 3.878 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H](COc2cccc(Br)n2)C1 40434953 BIWFCUZPVIMTCB-LBPRGKRZSA-N 371.275 3.870 0 40 FHAB Cc1ccc(C)c(NC(=O)COc2cc(C)nc(N3CCC(C)CC3)n2)c1 44169092 COFJDMBRIUMBAE-UHFFFAOYSA-N 368.481 3.656 0 40 FHAB CN1CCN(c2ccc(NC(=O)C3CCCC3)c(C(F)(F)F)c2)CC1 44796605 AJPHTDOSODZOTG-UHFFFAOYSA-N 355.404 3.586 0 40 FHAB O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)OCC(F)(F)F 48263834 DTDMPNHMTHIZBR-UHFFFAOYSA-N 351.346 3.514 0 40 FHAB COc1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc(Cl)c1OCC(C)C 48354043 OOQQSFTVYOSDKL-BETUJISGSA-N 355.862 3.633 0 40 FHAB Cn1cc(CN2CC[C@H](c3nnc(-c4cccnc4)o3)C2)c2ccccc21 49169714 DIAOIUAALVNZJV-INIZCTEOSA-N 359.433 3.613 0 40 FHAB biogenic,in-vitro CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)NCc2ccc(C)nc2)CC1=O 49195880 FRJOMNXJCWIYJX-QAPCUYQASA-N 365.477 3.573 0 40 FHAB Clc1cc(CNC2CCN(Cc3ccccc3)CC2)cc2c1OCCO2 57281496 CVIPFPWGDUUODQ-UHFFFAOYSA-N 372.896 3.865 0 40 FHAB CCCCN(C)C(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1 58225210 OZPIQQALQKPDNO-UHFFFAOYSA-N 363.465 3.873 0 40 FHAB CS(=O)(=O)Cc1ccccc1NC(=O)N1CCC[C@@H]1c1cccs1 58665516 SVRYCGDFWZZDJF-OAHLLOKOSA-N 364.492 3.662 0 40 FHAB O=C(NC1CCN(c2ccccn2)CC1)c1cccnc1Oc1ccccc1 69325896 YMOKQYKUFUWSLK-UHFFFAOYSA-N 374.444 3.668 0 40 FHAB CC(=O)N(CCC(=O)N(C)[C@H](C)Cc1ccsc1)Cc1ccccc1 72311351 NDAGPRBGUPBYDE-MRXNPFEDSA-N 358.507 3.576 0 40 FHAB Cn1cc(CN2CCOC[C@H]2c2nc(C(C)(C)C)c[nH]2)c2ccccc21 72322159 SKWQQPLXTHFOIX-SFHVURJKSA-N 352.482 3.772 0 40 FHAB biogenic,in-vitro COCC(=O)N1CCC[C@@H](c2cc(Cc3ccccc3Cl)cc(C)n2)C1 72353872 QHYVXWJZIKAHTO-GOSISDBHSA-N 372.896 3.987 0 40 FHAB c1cnc(Nc2nccc([C@H]3CCCN(CC4CCCCC4)C3)n2)nc1 72377843 UDFCJMSBSMAHLW-KRWDZBQOSA-N 352.486 3.770 0 40 FHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc2nc(C)oc2c1 76102404 HREZDWOMJPTDQH-UHFFFAOYSA-N 353.378 3.919 0 40 FHAB Cn1cc(Nc2cccc(NC(=O)c3cc(Br)c[nH]3)c2)cn1 78994877 RDZDKZZIZSHTSW-UHFFFAOYSA-N 360.215 3.507 0 40 FHAB Cc1ccc(NC(=O)COC(=O)c2[nH]nc(C3CC3)c2Cl)cc1Cl 79106341 VXYPIYXARKKIPT-UHFFFAOYSA-N 368.220 3.698 0 40 FHAB COc1cc(N[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc(OC)c1 79111544 CQYCUHNFWSOQPV-INIZCTEOSA-N 358.413 3.560 0 40 FHAB O=C(NOCc1cn2cc(Cl)ccc2n1)c1cccc(C(F)(F)F)c1 84364300 WYFGWCYGPYZYCB-UHFFFAOYSA-N 369.730 3.868 0 40 FHAB O=C(CSc1nncc2ccccc12)N[C@H]1CCCC[C@@H]1C(F)(F)F 84598791 GLHYZCSYFDFZFI-KBPBESRZSA-N 369.412 3.959 0 40 FHAB CCOc1ccc(NC(=O)N2CCC(CSc3nccn3C)CC2)cc1 90608220 SGRPSALQIMXHNY-UHFFFAOYSA-N 374.510 3.855 0 40 FHAB COc1ccc2[nH]cc(CC(=O)Nc3ccncc3Br)c2c1 95441774 LQRPSQPLNJSBPY-UHFFFAOYSA-N 360.211 3.515 0 40 FHAB Cc1ncsc1CCOC(=O)[C@@H]1CCn2c(cnc2-c2ccccc2)C1 96013406 XZDPQUHYYWDTOQ-MRXNPFEDSA-N 367.474 3.663 0 40 FHAB Cc1nn(C)c2c1[C@@H](c1ccc(OCc3ccccc3F)cc1)CC(=O)N2 96335698 ZITPSWVBRSHBOG-QGZVFWFLSA-N 365.408 3.921 0 40 FHAB CCCNC(=O)C1(NCc2ccc(OC)c(SC)c2)CCCCC1 97143566 FUQNUUUVKVZARQ-UHFFFAOYSA-N 350.528 3.736 0 40 FHAB Cc1n[nH]c(C)c1[C@H](C)c1nc(-c2ccc(N3CCCCC3)nc2)no1 97164387 YIRMGJVXFJNVKX-LBPRGKRZSA-N 352.442 3.614 0 40 FHAB CC(C)c1ncc(CN2[C@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cn1 100763543 CDVOXBFGNDDVPJ-OALUTQOASA-N 355.457 3.754 0 40 FHAB Cc1ccc(-c2nc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)sc2C)cc1 102206846 MNIUQIMUATZZEH-JONQDZQNSA-N 368.458 3.888 0 40 FHAB C[C@H]1C[C@@H](C)CN([C@H](c2ccc(F)cc2)c2sc3ncnn3c2O)C1 102825254 WKCKYDHEKIQGKJ-TYNCELHUSA-N 360.458 3.703 0 40 FHAB CCCOc1ccc(N2C[C@H](C(=O)Nc3ccc(C)c(F)c3)CC2=O)cc1 103717745 UCBLARYIKIYBQF-OAHLLOKOSA-N 370.424 3.915 0 40 FHAB COc1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(OC)c1 222562415 QLKRUNSLKXAZMQ-RZAIGCCYSA-N 355.463 3.688 0 40 FHAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCOc1cccc(C)c1C 223949571 FFKAKBSUKGVNKX-QGZVFWFLSA-N 357.450 3.665 0 40 FHAB CC1CCN(Cc2ccc(C(=O)NCCOCc3ccccc3)cc2)CC1 224331613 BSPQDCURJNOVSU-UHFFFAOYSA-N 366.505 3.865 0 40 FHAB CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2 224830790 NIGWXHIJXBGSRT-UHFFFAOYSA-N 374.245 3.590 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1cc(OC)ccc1OC 225030020 HPLDVJCSOWXHGI-AUUYWEPGSA-N 373.449 3.747 0 40 FHAB O=C(c1ccc(NC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1)N1CCCCC1 225324741 WUAKLUBTVUUSBL-KYJSFNMBSA-N 357.523 3.788 0 40 FHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3cccc(F)c3)ccc21 225706422 AFKOCCXNRKMHHY-UHFFFAOYSA-N 366.439 3.584 0 40 FHAB CCOC1(C(=O)Nc2ccc(OC(C)C)c(C(=O)OC)c2)CCCCC1 225829560 AMNCJGXHKUFDLR-UHFFFAOYSA-N 363.454 3.938 0 40 FHAB CCOc1ccc(NC(=O)C2(OCC)CCCCCC2)cc1C(=O)OC 225830429 JCROEJPLHYQRFU-UHFFFAOYSA-N 363.454 3.940 0 40 FHAB O=C1CCCC[C@H]2[C@H]1[C@@H](c1ccccc1)CN2S(=O)(=O)c1ccccc1 226076585 HGOCZJSDHNELIL-SVFBPWRDSA-N 369.486 3.603 0 40 FHAB Fc1ccc(Cc2cnc([C@@H]3CCCN(Cc4cnccn4)C3)o2)cc1 257213784 CJBGBNZVPWPIAE-MRXNPFEDSA-N 352.413 3.574 0 40 FHAB Cc1ncc(-c2cccc([C@@H]3CCCN(Cc4cscn4)C3)n2)n1C 257267800 MITXRMNTFXRXJE-OAHLLOKOSA-N 353.495 3.627 0 40 FHAB Cc1ccc(OCC2(O)CCN(Cc3ccc4[nH]ccc4c3)CC2)cc1 257317282 VJCPUIAOMGATTF-UHFFFAOYSA-N 350.462 3.882 0 40 FHAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1 260818200 XQWNQTBWYQCCGV-LAUBAEHRSA-N 362.514 3.941 0 40 FHAB CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1 260927146 YJHIDEKPCHAVET-BHIYHBOVSA-N 370.522 3.616 0 40 FHAB CCOC(=O)c1cnc(SCc2c(Cl)cccc2Cl)[nH]c1=N 388603585 KTUDURUMZSWGNJ-UHFFFAOYSA-N 358.250 3.665 0 40 FHAB CCn1c(=O)n(CC)c2cc(NC(=O)CSc3ccc(C)cc3)ccc21 408541530 BXIUMXDTLBGMHZ-UHFFFAOYSA-N 369.490 3.882 0 40 FHAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1ccc(C(=O)N3CCCCC3)cc1)C2=O 408722004 OBGKGRHYNGGIAH-HTAPYJJXSA-N 368.477 3.628 0 40 FHAB COC[C@@H]1CCN(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)C1 510242305 IGLPVFNOCOHKRU-CQSZACIVSA-N 359.445 3.575 0 40 FHAB C[C@@H](c1ccccc1)S(=O)(=O)N(C)Cc1cccnc1C(F)(F)F 530168445 CCSCYKZMBXWBMK-LBPRGKRZSA-N 358.385 3.623 0 40 FHAB Cn1cc([C@H]2CN(C(=O)c3nc4ccccc4s3)Cc3ccccc32)cn1 575620281 SBUKPUGTGBKUKY-QGZVFWFLSA-N 374.469 3.818 0 40 FHAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)cc1)c1noc2c1CCCC2 585148151 PTJPWTRZGAJYER-QGZVFWFLSA-N 368.458 3.745 0 40 FHAB CCC(=O)N1CCOCCOc2ccc(C)cc2Cc2cccc(c2)C1 643572656 LPKATWBXFHLEPS-UHFFFAOYSA-N 353.462 3.733 0 40 FHAB CC1(C)[C@H](CNC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1(F)F 660513299 FSAJDAYUUAUUSZ-HIFRSBDPSA-N 371.497 3.551 0 40 FHAB Cc1ccnc(-c2cccc(NC(=O)c3c(C(F)(F)F)n[nH]c3C)c2)n1 673743089 PYZQZCPHLBZCNJ-UHFFFAOYSA-N 361.327 3.755 0 40 FHAB O=C(Nc1ccc2nccn2c1)N1CCc2cc(Br)ccc21 1207824961 GMLPPEGAQBLJHL-UHFFFAOYSA-N 357.211 3.691 0 40 FHAB CC1(C)C(=O)Nc2ccc(C(=O)Nc3ccc(N=c4cc[nH]cc4)cc3)cc21 1300213237 MUBZKDPRCJWIHE-UHFFFAOYSA-N 372.428 3.729 0 40 FHAB CC(=O)N[C@H]1CCCN(C(=O)CCC2CCCC2)[C@H]1Cc1ccccc1 1615145684 UVVSTGKZGFHDEH-SFTDATJTSA-N 356.510 3.695 0 40 FHAB CCN(C1CCOCC1)[C@H]1CCOC2(CCN(c3ccccc3)CC2)C1 1615191218 MISDOURNRMBPQC-NRFANRHFSA-N 358.526 3.706 0 40 FHAB CSc1ccc2nc(N3C[C@@H]4CN(c5ccccn5)C[C@H]4C3)sc2c1 2298100662 KMKLTAHBEAICPE-KBPBESRZSA-N 368.531 3.986 0 40 FHAB O=C(COC(=O)/C=C/c1ccc(Cl)c(Cl)c1)NC1CCCCC1 956117 IUONVKCYVYAJKJ-VQHVLOKHSA-N 356.249 3.999 0 40 FHAB CCN(CC)C(=S)S[C@H]1CCCCN(C(=O)c2ccccc2)C1=O 939170 SHEQJKSTPOKUMN-HNNXBMFYSA-N 364.536 3.568 0 40 FHAB Cc1nc(N2CCN(C(=O)c3ccccc3)CC2)c2c(C)c(C)sc2n1 1377221 PNDIKGYNJPTAQE-UHFFFAOYSA-N 366.490 3.579 0 40 FHAB CCOC(=O)c1ncoc1[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 2585699 UKQXDOWZSBHJKM-AWEZNQCLSA-N 360.410 3.660 0 40 FHAB Cc1cccc(C)c1NC1=NN=C(c2ccc3c(c2)CC(=O)N3)CS1 12591360 GFYBNSZHZSGTHX-UHFFFAOYSA-N 350.447 3.717 0 40 FHAB O=C(c1ccccc1Cl)N1N=C2CCCCC[C@H]2[C@@]1(O)C(F)(F)F 4163597 LETUVIFYFAIFPM-IAQYHMDHSA-N 360.763 3.983 0 40 FHAB O=C(COc1ccccc1)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 6885411 QVCUQRDADLZYRB-UHFFFAOYSA-N 372.380 3.505 0 40 FHAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 7654592 HQLNXMNBTAREJX-CQSZACIVSA-N 362.351 3.693 0 40 FHAB O=c1c2cc(Br)ccc2nc(-c2ccccc2Cl)n1O 1382206 XGBDZTBAAWDOGT-UHFFFAOYSA-N 351.587 3.717 0 40 FHAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc(C(F)(F)F)nc1O 25058959 ACRLZYOHCQHTAP-UHFFFAOYSA-N 367.352 3.688 0 40 FHAB Cc1cccc(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)c1C 3233033 MNZWODAOOFUNEQ-UHFFFAOYSA-N 365.473 3.942 0 40 FHAB CCCCc1ccc(NC(=O)C(=O)NCCOc2ccc(Cl)cc2)cc1 59483862 LTSNQPNZSREOTF-UHFFFAOYSA-N 374.868 3.816 0 40 FHAB O=C(c1cc(=O)c2ccccc2o1)N(Cc1ccccc1)C[C@H]1CCCO1 56149819 XIKFBTVWYVOGOV-QGZVFWFLSA-N 363.413 3.614 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(C)cc(=O)oc3c2)c1 8984877 UNWMVJMOYWBMAY-AWEZNQCLSA-N 365.385 3.710 0 40 FHAB CCCCc1noc([C@@H](C)Nc2cccc(-c3nc(CC)cc(=O)[nH]3)c2)n1 56176620 PMDABLJWLCTTCJ-CYBMUJFWSA-N 367.453 3.898 0 40 FHAB CN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 95349248 XRLWIHSDSLFRMY-IBGZPJMESA-N 372.415 3.618 0 40 FHAB CC[C@H](CNC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccccc1 27014432 BEZQLMCKWFYPNP-GOSISDBHSA-N 350.462 3.733 0 40 FHAB C[C@H](C(=O)Nc1cccc(Cl)c1)N(C)Cc1nccn1CC(F)(F)F 57844612 XPQFOXYUOYXKRX-LLVKDONJSA-N 374.794 3.558 0 40 FHAB O=C1c2ccccc2N[C@H](c2cnc(N3CCCC3)nc2)N1c1ccccc1 54680043 MSBLPMGTIQXBTD-FQEVSTJZSA-N 371.444 3.848 0 40 FHAB Cc1ccc2nc(C)c(C(=O)NC[C@H](O)c3cccc(Cl)c3)cc2c1 48234918 FOFOWFDPGWQAKR-IBGZPJMESA-N 354.837 3.968 0 40 FHAB CC(C)[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)NCc1cccnc1 58193371 IIBKLRWKXFDDBV-MRXNPFEDSA-N 368.462 3.565 0 40 FHAB O=C1[C@H]2Cc3c([nH]c4ccccc34)CN2C(=O)N1c1ccc(Cl)cc1 2139891 DJKVXAJPMVXLKV-QGZVFWFLSA-N 351.793 3.715 0 40 FHAB biogenic,in-vitro CCCn1c(=O)n(CCC(=O)Nc2cc(F)ccc2C)c2ccccc21 12778145 LHZYCASWINTWOQ-UHFFFAOYSA-N 355.413 3.689 0 40 FHAB Cc1nc(COC(=O)[C@@H]2CC(=O)N(c3cccc(C(C)C)c3)C2)oc1C 58308881 TTZOURUGTGMKBT-MRXNPFEDSA-N 356.422 3.511 0 40 FHAB CCCOC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 2242419 WPVZFASEPZTDIR-UHFFFAOYSA-N 360.417 3.782 0 40 FHAB COc1ccc([C@H](O)CNC(=O)N[C@H](C)c2ccc(F)c(Cl)c2)cc1 56942997 WWZVZGQQUPDYBV-PIGZYNQJSA-N 366.820 3.582 0 40 FHAB CC(C)Oc1ccc([C@@H]2CC(O)=Nc3nc(N4CCOCC4)sc32)cc1 36352614 XWPMESISOAOHPC-HNNXBMFYSA-N 373.478 3.891 0 40 FHAB COc1ccc(C)cc1-c1csc(NC(=O)Cc2c(C)nn(C)c2C)n1 10824453 VFBFHBFSKILWTF-UHFFFAOYSA-N 370.478 3.659 0 40 FHAB O=C(OCc1csc(-c2ccco2)n1)[C@H]1CCCN1c1nccs1 97164499 QMVCKTQAAUVISS-GFCCVEGCSA-N 361.448 3.572 0 40 FHAB C[C@H](NC(=O)CCCNC(=O)c1ccsc1)c1cccc(Cl)c1 36625869 DOGYPSXWTKKJEZ-LBPRGKRZSA-N 350.871 3.789 0 40 FHAB COc1cc(/C=C/C(=O)OCC(=O)c2ccc(Cl)s2)ccc1O 3300519 PUFOHRUBJOYUQW-XVNBXDOJSA-N 352.795 3.555 0 40 FHAB CCN(C(=O)c1cccc(C(=O)OC)n1)[C@@H](Cc1ccc(F)cc1)C(C)C 72303435 OAKCGISFSMKVLR-IBGZPJMESA-N 372.440 3.737 0 40 FHAB O=C(NC(=S)Nc1ccc2oc(=O)ccc2c1)c1cccc(Cl)c1 2404401 PNXRXQQJTHQGLU-UHFFFAOYSA-N 358.806 3.573 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc3[nH]cnc3c2)c(OC)c1 11549037 RWNRBNGCOTXODA-SFHVURJKSA-N 351.406 3.557 0 40 FHAB C[C@H](Sc1ncnc2c1cnn2C)C(=O)Nc1ccc2ccccc2c1 11681532 BXDLFDYCKKCEAB-LBPRGKRZSA-N 363.446 3.636 0 40 FHAB CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC1CCCCC1 60019489 YFZSVJJHPWAULZ-JOCHJYFZSA-N 366.505 3.972 0 40 FHAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2)c1 3447065 MLXZRAJLDLTBBA-UHFFFAOYSA-N 366.442 3.764 0 40 FHAB Cc1ccnc(NC(=O)c2ccn(COc3ccc(F)c(Cl)c3)n2)c1 2787949 OSVAMBUVTHXXFT-UHFFFAOYSA-N 360.776 3.668 0 40 FHAB CCOC(=O)Cn1nc(C2CC2)c2c(C(F)(F)F)cc(C3CC3)nc21 12396339 ZYRLMGUCOMLRNN-UHFFFAOYSA-N 353.344 3.768 0 40 FHAB COc1ccc(-c2cc(-c3nn4c(-c5ccco5)nnc4s3)[nH]n2)cc1 12323296 UPANCVCRPRPNSO-UHFFFAOYSA-N 364.390 3.512 0 40 FHAB Cc1noc(C)c1CSCC(=O)NCc1ccc(COC(C)C)cc1 49134057 URTOQPMCKAORHA-UHFFFAOYSA-N 362.495 3.766 0 40 FHAB O=C(COc1cc(Cl)ccc1Cl)NCc1nc2ccccc2[nH]1 9338314 RTPADPDUOLNBQC-UHFFFAOYSA-N 350.205 3.565 0 40 FHAB C[C@@H](Sc1ncnc2sc3c(c12)CCCC3)C(=O)NCc1ccco1 6112001 WFUBMKAJVAUVNU-LLVKDONJSA-N 373.503 3.960 0 40 FHAB COc1ccc2c(CC(=O)O[C@@H](C)C(=O)Nc3cccc(C)c3)coc2c1 6156557 OPORSIXLYMGLGN-AWEZNQCLSA-N 367.401 3.863 0 40 FHAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 5114399 YNCAKUVFRZCDRS-LLVKDONJSA-N 367.323 3.898 0 40 FHAB Cc1ccccc1-n1cnnc1SCC(=O)N1CC[C@H]2CCCC[C@H]2C1 9364174 ADORKIIAVZKMON-SJORKVTESA-N 370.522 3.707 0 40 FHAB Cc1c(C)n(Cc2ccncc2)c2ncn3nc(Cc4ccccc4)nc3c12 9306691 HIGXHABJAOAPTH-UHFFFAOYSA-N 368.444 3.730 0 40 FHAB Cc1nnc(SCc2nc3ccsc3c(=O)[nH]2)n1C1CCCCC1 4492684 REKOLBYMPSMFAZ-UHFFFAOYSA-N 361.496 3.682 0 40 FHAB COc1ccc(OC)c(NC(=O)c2sc(-c3ccccn3)nc2C)c1 14076321 OZCWLWGQQPEAST-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB CCOC(=O)N1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(OC)cc1OC 6463587 LCFDWUSJFVKNSI-XKGZKEIXSA-N 363.454 3.528 0 40 FHAB biogenic O=C(CN1C(=O)CCOc2ccccc21)OCc1cccc2ccccc12 6585113 PUPFMOLGYMLUPQ-UHFFFAOYSA-N 361.397 3.699 0 40 FHAB CC(C)C(=O)Nc1nnc(SCC(=O)c2ccc(Cl)cc2)s1 4681363 IHSCPHXLKKBCKY-UHFFFAOYSA-N 355.872 3.761 0 40 FHAB CC[C@H](CO)NCc1cc(Br)c(OC2CCCC2)c(OC)c1 4657699 BPWPQFZFHUZYKO-CYBMUJFWSA-N 372.303 3.640 0 40 FHAB CC1=NN(C(=O)COc2ccc(C)c(C)c2)[C@@](O)(c2ccc(Cl)cc2)C1 4860307 ZPGYQDJMEHNYMJ-FQEVSTJZSA-N 372.852 3.789 0 40 FHAB COc1ccccc1-n1c(SC[C@@H]2CCCO2)nnc1N1CCCCC1 6994224 SNBQUMJFRKBZHS-HNNXBMFYSA-N 374.510 3.537 0 40 FHAB CCCOc1ccc(NC(=O)C(=O)NCCCCc2ccccc2)cc1 408707422 AMWJUDOWBYMSNF-UHFFFAOYSA-N 354.450 3.553 0 40 FHAB COc1ccc(CC(=O)NCc2ccc(-c3csc(C)n3)o2)cc1F 9502909 VRABIHIUDJRXTO-UHFFFAOYSA-N 360.410 3.718 0 40 FHAB FC(F)(F)c1ccc(SC[C@H]2CNC(c3ccccc3)=NO2)nc1 60376447 KWXXPSGHOIRXFY-CYBMUJFWSA-N 353.369 3.543 0 40 FHAB CCOc1ccccc1NC(=O)CSCC(=O)N(C)C1CCCCC1 7310659 ZRYBXCMESSQIAK-UHFFFAOYSA-N 364.511 3.548 0 40 FHAB Cc1cccc(Nc2nc(N3C[C@H](C)C[C@@H](C)C3)nc3c2cnn3C)c1 7448660 PSQIGYSXZKWMGK-HUUCEWRRSA-N 350.470 3.898 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc3ccccc3n2)c1C 7548865 LQHUTHQNDALCHO-CQSZACIVSA-N 364.401 3.811 0 40 FHAB COc1ccccc1C(=O)COC(=O)CCC(=O)c1cc(C)ccc1C 7987896 SCTJGDXCSRAVTQ-UHFFFAOYSA-N 354.402 3.701 0 40 FHAB O=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)NC1CCCCCC1 96523360 MFWNXFLHKHIUTM-GXDHUFHOSA-N 364.492 3.623 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)c1 16753730 RDXHHNINLHFXED-UHFFFAOYSA-N 359.765 3.716 0 40 FHAB COc1cccc(N2C[C@H](C(=O)Nc3c(C)cc(C)cc3C)CC2=O)c1 8247919 GVDGZCIUNZBLNA-MRXNPFEDSA-N 352.434 3.612 0 40 FHAB CCN(CC)c1ccc(C(=O)N2CCC(N(C)c3ccccc3)CC2)cn1 70006561 UAFOHJZPVOOZGN-UHFFFAOYSA-N 366.509 3.669 0 40 FHAB O=C(CN1CCC(Cc2ccccc2)CC1)N1N=CC[C@@H]1c1ccccc1 8559887 XLNSAKYUEHNFKB-JOCHJYFZSA-N 361.489 3.901 0 40 FHAB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1)C2(c1ccccc1)c1ccccc1 17784656 HHVWJCYWHZDFDC-BGYRXZFFSA-N 357.384 3.931 0 40 FHAB CCc1cc2c(SCC(=O)c3ccc4c(c3)OCO4)ncnc2s1 8641057 CMCBGSFVGPBRMB-UHFFFAOYSA-N 358.444 3.957 0 40 FHAB Cc1c(C(=O)Nc2ccc(Br)cc2)cnn1-c1ccccn1 8715135 JGERHYBQABTXTM-UHFFFAOYSA-N 357.211 3.591 0 40 FHAB Cc1nc(COc2ccc(CNCC3([C@@H](O)C(C)C)CC3)cc2)cs1 95989212 MYVDYPQRJJUTFQ-IBGZPJMESA-N 360.523 3.917 0 40 FHAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc4c(c3)OCO4)S2)cc1 408776530 OZLWCFAPDNLQOW-WSDUQJHMSA-N 354.431 3.577 0 40 FHAB CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=O)N(C)C3=O)o2)cc1 408817315 WAWHOWHEUFPWQR-GDNBJRDFSA-N 357.387 3.789 0 40 FHAB O=C(CC1CC1)N1Cc2ccccc2[C@H](c2nccn2Cc2cccnc2)C1 306143895 YQBZFLHUVFUNFA-OAQYLSRUSA-N 372.472 3.601 0 40 FHAB O=C(O)[C@@H]1CS[C@@H](c2ccc(Sc3cccc4cccnc34)o2)N1 408988787 FXLXZKMBDYEFOR-ZBEGNZNMSA-N 358.444 3.767 0 40 FHAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)[C@H](C)Oc1ccc(F)cc1 1525364158 SKTRPYDXVRDXOK-ZRCAFCQKSA-N 368.452 3.736 0 40 FHAB Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)Cn1nccc1-c1cccnc1 533675284 NOJJLWQTHGSPGA-IBGZPJMESA-N 365.477 3.991 0 40 FHAB CCCCCCNC(=O)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(C)cc23)C1 35476060 CFARTQNPGIHAAZ-SFHVURJKSA-N 369.509 3.564 0 40 FHAB CCOc1ccccc1NC(=O)COc1ccc(-c2nc(CC)no2)cc1 33012627 CFNGRCGYYZBWDL-UHFFFAOYSA-N 367.405 3.715 0 40 FHAB Cc1ccc(C(=O)N2CCC[C@@H](c3cncc(Oc4ccccc4)n3)C2)cn1 72384104 IVNORCQJTCYVPU-GOSISDBHSA-N 374.444 3.992 0 40 FHAB C[C@@H](Oc1ccccc1F)C(=O)Nc1noc(-c2cccc(Cl)c2)n1 32623289 OVESGOSXSUIMTI-SNVBAGLBSA-N 361.760 3.935 0 40 FHAB COCCCN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)Nc1ccccc1 1565520257 PSGQJSOZTMUQGG-UYAOXDASSA-N 359.514 3.822 0 40 FHAB biogenic COc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1 36171633 QIEAFMNSKDESRP-UHFFFAOYSA-N 372.852 3.840 0 40 FHAB C[C@H](NC(=O)Cc1nsc2ccccc12)[C@H]1OCCc2sccc21 563001394 DKRNGMYMXWFTTN-BBATYDOGSA-N 358.488 3.719 0 40 FHAB C[Si](C)(C)c1c(Br)cc(Br)c(C(=O)O)c1F 219789199 OMPOISHAEIJDTB-UHFFFAOYSA-N 370.088 3.594 0 40 FHAB Cn1cc(CN2CCC[C@@H](c3cccc(Cc4ccccc4F)n3)C2)cn1 72349975 WDMHBJWIQHYPOF-LJQANCHMSA-N 364.468 3.925 0 40 FHAB COc1cc(Oc2ccccc2)nc(NC(=S)NC2CCCCC2)n1 226007591 AZKXAUCVNGIWMC-UHFFFAOYSA-N 358.467 3.897 0 40 FHAB O=C(/C=C/c1ccc2c(c1)OCO2)NCc1cccnc1-c1ccsc1 225645380 QNLXPKIJHNSZCC-GQCTYLIASA-N 364.426 3.868 0 40 FHAB COC(=O)c1cc(NC(=S)NCCSC(C)(C)C)ccc1Cl 225351467 IXAZTZAKPHTQQL-UHFFFAOYSA-N 360.932 3.945 0 40 FHAB O=C(NCc1ccc(C2CCCCC2)cc1)N1CC[C@@H](c2nc[nH]n2)C1 570326209 BJGACTUAPRARLW-GOSISDBHSA-N 353.470 3.552 0 40 FHAB c1cc(NCc2cnc(N3CCCC3)nc2)cc(-c2ncc3n2CCCC3)c1 576218820 FCTNCNDSRHHTCW-UHFFFAOYSA-N 374.492 3.889 0 40 FHAB CC[C@@H](C)NC(=O)CCc1ncc(-c2ccc(Br)cc2)o1 224874089 MGYOIQCXJPWWJG-LLVKDONJSA-N 351.244 3.951 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 223042465 YFPUMKSVVCUUAW-OAQYLSRUSA-N 366.505 3.789 0 40 FHAB COc1cc(CO)cc(CSC)c1OC(=O)c1ccccc1Cl 226288967 LVFNZUJRSXOTNY-UHFFFAOYSA-N 352.839 3.923 0 40 FHAB Fc1ccc(CCCNC(=S)Nc2ccc(Br)cn2)cc1 223965206 URWOGYGFJKYDDO-UHFFFAOYSA-N 368.275 3.902 0 40 FHAB Cc1cc(N2CCC(C)CC2)nc(NC(=S)NCc2ccccc2)n1 225928982 FSMNPIIOLWULEK-UHFFFAOYSA-N 355.511 3.508 0 40 FHAB Cc1ccc(SCCNC(=O)CCc2ccc3c(c2)OCCO3)cc1 222638178 LSXFXIBSYBWROP-UHFFFAOYSA-N 357.475 3.607 0 40 FHAB CO[C@@H]1CCN(C(=O)c2cc(C3CC3)on2)C[C@@H]1Cc1cccc(C)c1 96110230 FNVYLPVYTSFZRR-PKOBYXMFSA-N 354.450 3.580 0 40 FHAB COc1ccc2[nH]c(C(=O)N3CCO[C@@H](c4ccccc4)C3)c(C)c2c1 96118803 LNPZKVHCASTHDH-LJQANCHMSA-N 350.418 3.699 0 40 FHAB O=C(NCc1ccc2occc2c1)NC[C@@H]1CCN(c2ccc(F)cc2)C1 660469488 ZHFRCYNWKINGGA-INIZCTEOSA-N 367.424 3.898 0 40 FHAB Cc1cc(NC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)nc(O)n1 679849484 GXGSNKKQBRRAHV-UHFFFAOYSA-N 371.400 3.596 0 40 FHAB COc1cccc(CN2CC3(C[C@@H](OCc4cccc(C)n4)CS3)C2)c1 585105527 YWJHQNYNXFUJPM-HXUWFJFHSA-N 370.518 3.675 0 40 FHAB O=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)C1CCOCC1 31826301 AAZKSBHBMPNGIS-UHFFFAOYSA-N 360.357 3.603 0 40 FHAB Cc1c(NC(=O)c2cc(F)ccc2Br)cccc1C(=O)O 37500405 DAOPPVNOWFCNQU-UHFFFAOYSA-N 352.159 3.847 0 40 FHAB C[C@H](CC[S@@](C)=O)NCc1cc(Cl)ccc1OCc1cccnc1 75110419 FLIAMOHAZDJUPX-SHACYNPGSA-N 366.914 3.561 0 40 FHAB O=c1c2cc(-c3ccccc3)sc2nnn1CCCOc1ccccc1 5182245 AWXVFNSVBRKERO-UHFFFAOYSA-N 363.442 3.989 0 40 FHAB CCOc1ccc(NC(=O)CNc2ccc(F)c(F)c2F)cc1OCC 11041313 ACTZWJQFJDSTML-UHFFFAOYSA-N 368.355 3.952 0 40 FHAB Cc1n[nH]c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 11657524 UOXRQNNIZICYGU-UHFFFAOYSA-N 350.753 3.516 0 40 FHAB Cc1cc(C(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)c(C)[nH]1 12117278 WRFIRKPZWLUCAE-UHFFFAOYSA-N 360.461 3.979 0 40 FHAB Cc1cc(C)n([C@H](C)CC(=O)N2CCC(c3cc4cccnc4[nH]3)CC2)n1 12133487 RSRKUQQRGXZQPE-MRXNPFEDSA-N 365.481 3.734 0 40 FHAB O=c1[nH]cc(-c2ccc(F)cc2)cc1CNc1ccc2c(c1)OCCO2 12143886 OLBJSYOUYYEVSJ-UHFFFAOYSA-N 352.365 3.564 0 40 FHAB O=C(CNC(=O)c1ccccc1F)Nc1ccccc1Oc1ccccc1 12751726 RKRAPAKIZYVCDZ-UHFFFAOYSA-N 364.376 3.987 0 40 FHAB Cc1cccc(NC(=O)CN(C)C(=O)CCCOc2ccc(F)cc2)c1C 12901598 ZVXWDSCDVLFZCP-UHFFFAOYSA-N 372.440 3.699 0 40 FHAB Cc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 14000302 ZMEIMQKPUYXKCP-QFQMRYFISA-N 364.445 3.556 0 40 FHAB CC(C)c1ccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 14343333 RYOAVHRZHPNIBJ-HNNXBMFYSA-N 355.434 3.837 0 40 FHAB Cc1ccccc1Nc1nc(NC[C@H](C)O)nc2c1cnn2-c1ccccc1 17136020 BECOXUHSTQUBSF-HNNXBMFYSA-N 374.448 3.660 0 40 FHAB Cc1cc(-c2c[nH]nc2[C@H]2CCCCN2C(=O)Cc2ccccc2F)on1 19120870 HXDKCZWBQYWDSG-QGZVFWFLSA-N 368.412 3.809 0 40 FHAB Cc1cccnc1CN(Cc1ccccc1)C(=O)Cn1ccnc1C(C)C 19237769 HMKSEPWZHPKEMG-UHFFFAOYSA-N 362.477 3.939 0 40 FHAB Cc1noc2nc([C@@H]3CCCN(C(=O)[C@@H]4C[C@@H]4C)C3)cc(C(F)(F)F)c12 19563782 RPBFQADZXMQREJ-MVWJERBFSA-N 367.371 3.912 0 40 FHAB COc1ncc(Br)cc1CN[C@H]1CCCc2c(O)cccc21 660395741 GCQPZQCYKVKJQW-HNNXBMFYSA-N 363.255 3.726 0 40 FHAB CC(=O)N[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 3446916 KTDOLQSEYYAZQH-INIZCTEOSA-N 350.340 3.911 0 40 FHAB Cc1nn(C)c(C)c1/C=C/C(=O)O[C@H](C)C(=O)c1c(C)[nH]c2ccccc12 5775059 FVGBVVHKVVULLO-AUECHBEKSA-N 365.433 3.654 0 40 FHAB C[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1ccc(S(C)(=O)=O)cc1 10967385 JJXNSQVNBXLGCV-OAHLLOKOSA-N 367.470 3.663 0 40 FHAB C[C@@H](c1nc2ccccc2s1)N(C)Cn1nc(-c2cccs2)oc1=O 24528911 PVXMDOQADOUNMN-NSHDSACASA-N 372.475 3.825 0 40 FHAB Cc1cccc(O[C@H]2CCN(C(=O)c3ccccc3OC(F)(F)F)C2)n1 238845856 IHROYCKNONHKQX-ZDUSSCGKSA-N 366.339 3.582 0 40 FHAB Cc1cccn2c(=O)nc(SCc3ccc(Cl)c(Cl)c3)nc12 4504226 CQVDNPDNWYXJPB-UHFFFAOYSA-N 352.246 3.997 0 40 FHAB Cc1ccc(-n2ncc3c(=O)n(Cc4cccc(Cl)c4)cnc32)cc1C 5139659 GKMDUYOBSDLPRE-UHFFFAOYSA-N 364.836 3.901 0 40 FHAB Cc1cc(C)cc(N2C(=O)[C@H]3N=NN(c4ccc(F)c(Cl)c4)[C@@H]3C2=O)c1 101260738 YONAABIEVDSBOE-HOTGVXAUSA-N 372.787 3.594 0 40 FHAB COc1ccc(-c2cc(Nc3ccc(N4CCOCC4)cc3)ncn2)cc1 36708971 KMZSAWNOWGRWHJ-UHFFFAOYSA-N 362.433 3.732 0 40 FHAB C[C@@H](N[C@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc(Cl)cc1 30282963 SXUKIRXCUQIQLF-BEFAXECRSA-N 358.869 3.591 0 40 FHAB CC(C)CC[C@@H](C)NC(=O)CS(=O)(=O)Cc1ccc(C(C)C)cc1 40106003 GZQOQIFFVWMMSY-MRXNPFEDSA-N 353.528 3.666 0 40 FHAB Cc1nnc(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)s1 31533641 CDRLHTUNILSFNB-UHFFFAOYSA-N 353.451 3.689 0 40 FHAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2cccc(C(F)(F)F)c2)CCC[C@H]1C 102483573 DZAUXWGQCGSJEG-XUJVJEKNSA-N 357.372 3.803 0 40 FHAB C[C@H](OC(=O)CCc1c[nH]c2ccccc12)c1nc(-c2cccnc2)no1 32876042 QHFKZSUZLMHXLS-ZDUSSCGKSA-N 362.389 3.850 0 40 FHAB Cc1nn(-c2ccccc2)nc1C(=O)N1CCCCC[C@@H]1c1cccn1C 32841746 KZDHMLKNMBRQPL-LJQANCHMSA-N 363.465 3.672 0 40 FHAB O=C(/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1)N1CCOCC1 32906114 BXZJKJZZISEFCN-NBVRZTHBSA-N 359.372 3.687 0 40 FHAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(C)nc3)n2)c(F)c1 22415750 YBHUYGUDICCBCO-UHFFFAOYSA-N 370.409 3.863 0 40 FHAB Cc1sc(-c2ccco2)nc1C(=O)Nc1ncn(Cc2ccccc2)n1 95361084 OJWVSQDAJAFOMK-UHFFFAOYSA-N 365.418 3.604 0 40 FHAB CC(=O)N1N=C(c2ccc(C)cc2)O[C@H]1c1ccc(Br)cc1 828193 VVIAOVQAUVXUMH-KRWDZBQOSA-N 359.223 3.997 0 40 FHAB CC(C)n1ncc2cc(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)cnc21 12578911 LGFBBGZPFBESRH-SFHVURJKSA-N 374.448 3.866 0 40 FHAB CCC(CC)S(=O)(=O)[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 78799074 NCUWYBCKPKXRMC-LLVKDONJSA-N 356.875 3.978 0 40 FHAB C[C@@H](NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccs1 23435932 BTNJPDIOYRSWOK-XXWNAHEMSA-N 360.523 3.648 0 40 FHAB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Nc1ccc3ccccc3c1)C(=O)C2 1454986 OELNENRGDZBHDO-OXQOHEQNSA-N 357.475 3.977 0 40 FHAB S=c1n(Cc2ccccc2)ccn1CN1CCN(c2ccccc2)CC1 24234145 ODKVGOOWUNZBLR-UHFFFAOYSA-N 364.518 3.847 0 40 FHAB CCc1ccc(C2=NN(C(=O)OC(C)(C)C)[C@](O)(C(F)(F)F)C2)cc1 4351805 RYLYWZKVAMJXBU-MRXNPFEDSA-N 358.360 3.845 0 40 FHAB Cc1cccc(C(=O)NC2CCN(C(=S)Nc3ccccc3C)CC2)c1 4857684 RJEBPABTRLKEBY-UHFFFAOYSA-N 367.518 3.895 0 40 FHAB CCCCOc1ccc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)cc1 4966187 XMHMPUJPHCYXEV-MRXNPFEDSA-N 354.454 3.511 0 40 FHAB CC(=O)[C@@H]1CC[C@H]2[C@H]3CC=C4N(CCO)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 6363608 JLCADYKUNFKFDQ-QZFITCGQSA-N 359.510 3.543 0 40 FHAB COc1cc(NC(=O)COCc2cc(-c3cccs3)on2)cc(OC)c1 6876597 BBKJPSOFMYOKOV-UHFFFAOYSA-N 374.418 3.576 0 40 FHAB CCC[C@@H](C)NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 6945669 DFQICYUYWHXTEO-MRXNPFEDSA-N 374.506 3.739 0 40 FHAB CCOc1ccc2ccc(OCC)c(/C=C(\C#N)C(=O)NC3CC3)c2c1 6964592 WAESFVXJSJYMOY-RVDMUPIBSA-N 350.418 3.823 0 40 FHAB O=C(COc1ccc(Cl)cc1)NCCSCc1ccccc1F 7637915 LTGUKQABCMKBCM-UHFFFAOYSA-N 353.846 3.908 0 40 FHAB O=C(COc1ccc(F)cc1)NCc1ccccc1CN1CCCCC1 7850585 YSVYPHNAHMRABG-UHFFFAOYSA-N 356.441 3.507 0 40 FHAB CCOc1ccc(Br)cc1CNCc1ccc(C(=O)O)cc1 8324583 WGZFDECHGAVFJU-UHFFFAOYSA-N 364.239 3.836 0 40 FHAB CCNC(=O)C(=O)c1c(-c2ccc(OC)c(Cl)c2)cc2ccccn12 10119170 QODHOGAAYNVMAU-UHFFFAOYSA-N 356.809 3.587 0 40 FHAB CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc2[nH]c(C)cc2c1 25129195 KOWMACLNTYWYKJ-UHFFFAOYSA-N 356.447 3.912 0 40 FHAB CCOC(=O)N1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 3273309 USWWQGQWYUWZCD-UHFFFAOYSA-N 368.462 3.637 0 40 FHAB CCC(CC)[C@H](NC(=O)[C@H](C)Sc1nncn1C)c1cccs1 56008513 NNUNUMZCWPQVLL-FZMZJTMJSA-N 352.529 3.651 0 40 FHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1cccn(Cc3ccccc3)c1=O)C2 107342958 NQEYAAUCOYNQPZ-LTMIRXACSA-N 364.489 3.841 0 40 FHAB CC(C)N(Cc1ccccc1)C(=O)COC(=O)CCC(=O)c1cccs1 3337844 WSXIKPRNTICMHZ-UHFFFAOYSA-N 373.474 3.691 0 40 FHAB COc1ccc(Cn2c(CNC(=O)c3ccco3)nc3ccccc32)cc1 28048256 GWJXLOURJSIAPH-UHFFFAOYSA-N 361.401 3.616 0 40 FHAB O=C(c1ccnc(Cl)c1)N1CCN(Cc2cccc3ccccc23)CC1 28020819 MHJDJVHWVBFBSC-UHFFFAOYSA-N 365.864 3.846 0 40 FHAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc(Cl)cc1N1CCCC1=O 48304167 QLDQOTZMUOSSBL-MRXNPFEDSA-N 370.836 3.720 0 40 FHAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10546379 KJGKXLAXYVSYIV-INIZCTEOSA-N 371.444 3.973 0 40 FHAB CC(C)CNC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 2249248 AEVPEXIITDLXEC-UHFFFAOYSA-N 373.460 3.601 0 40 FHAB COc1ccc(Cl)cc1CN(C)C(=O)c1cnc2c(cnn2C(C)C)c1 12889288 MVHFHSZJFVUNBV-UHFFFAOYSA-N 372.856 3.946 0 40 FHAB Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3ccc(F)cc3)ccc12 2397491 USIZOMSCVIIADD-UHFFFAOYSA-N 356.349 3.755 0 40 FHAB COc1ccc(S[C@@H](C)C(=O)NCCCN2CCCCCC2)cc1 20109157 VOMXXWGXVLMCSP-INIZCTEOSA-N 350.528 3.558 0 40 FHAB C[C@]1(C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)CC1(Cl)Cl 3510349 JBXUDHSHNCKVNW-QGZVFWFLSA-N 367.228 3.909 0 40 FHAB Clc1ccccc1-c1nc(CSc2nncn2Cc2ccco2)no1 12916996 KXIIEUDDRNJBEX-UHFFFAOYSA-N 373.825 3.915 0 40 FHAB Cc1ccc(-c2nn(CC(=O)NCCc3ccccc3)c(=S)o2)cc1 409154782 PVDMXNTXUZTWHX-UHFFFAOYSA-N 353.447 3.540 0 40 FHAB COc1cc([C@@H]2CC(=O)Nc3[nH]nc(-c4ccc(Cl)cc4)c32)ccc1O 6239329 WDLQWKOUECBQGG-ZDUSSCGKSA-N 369.808 3.918 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)cc1 5345904 UCJIFCOGAFVTOK-UHFFFAOYSA-N 350.374 3.621 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1cccc(C(=O)NC2CC2)c1 9337228 IGEZYBURIFXUBJ-UHFFFAOYSA-N 363.392 3.827 0 40 FHAB CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3ccccc3Cl)n2)cc1 6747763 JLZPRKAENZPUAA-UHFFFAOYSA-N 369.808 3.537 0 40 FHAB Cc1nc2c3ccccc3nc(SCC(=O)Nc3ccccc3C)n2n1 6918751 FXHIXTXDPCESNK-UHFFFAOYSA-N 363.446 3.625 0 40 FHAB COc1cc(C)c(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1OC 7050708 VSZBAZJCOOXIFG-UHFFFAOYSA-N 359.806 3.606 0 40 FHAB Cc1ccnc(SCc2nc3cc(NC(=O)C(C)C)ccc3n2C)n1 9421452 YIZVWHBIJVUERR-UHFFFAOYSA-N 355.467 3.559 0 40 FHAB COc1ccc(-n2nnnc2SCc2coc(-c3ccccc3)n2)cc1 9499871 MGRVFXABOPLFLS-UHFFFAOYSA-N 365.418 3.618 0 40 FHAB O=C(C[C@@H]1OC(=O)c2ccccc21)NCCc1ccc(C(F)(F)F)cc1 15651124 FNDSHAASWOMNEY-INIZCTEOSA-N 363.335 3.666 0 40 FHAB C[C@@H]1c2ccsc2CCN1C(=O)c1cccc(CN2CCCC2=O)c1 7830871 RSKWYEKOFNQRKG-CQSZACIVSA-N 354.475 3.630 0 40 FHAB O=C(Cn1nnc2ccccc21)NCCC(c1ccccc1)c1ccccc1 7982657 TULLTDVUYDQBIM-UHFFFAOYSA-N 370.456 3.770 0 40 FHAB COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c1 8058850 BZQJCZYHSRLCIL-GOSISDBHSA-N 361.463 3.538 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)N(Cc2cccs2)C[C@H]2CCCO2)c1 8059840 PPJLEOQTBKVQHF-MRXNPFEDSA-N 365.520 3.735 0 40 FHAB CCN1CCN(c2ccc(NC(=O)c3cccc(-n4cccc4)c3)cc2)CC1 8191728 CCEAAEVZVSJTQW-UHFFFAOYSA-N 374.488 3.872 0 40 FHAB O=C(NCc1ccccc1CN1CCCC1)c1ccc2ncsc2c1 8342641 KADFBOLHRWAJEN-UHFFFAOYSA-N 351.475 3.822 0 40 FHAB COc1cccc(OC)c1-c1nn2c(Cc3ccccc3F)nnc2s1 8715035 WKBIWXZVYXIIJU-UHFFFAOYSA-N 370.409 3.600 0 40 FHAB CC[C@H]1CCCCN1C(=O)CSc1nncn1-c1ccc(C)cc1C 8709020 MBXKLTQHESFCSV-INIZCTEOSA-N 358.511 3.767 0 40 FHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)NC14CC5CC(CC(C5)C1)C4)(C3)C2 70707440 GSJMDGSSPQJCMI-ULMLSQDPSA-N 370.537 3.547 0 40 FHAB O=C(c1ccc(Br)o1)N1CCc2n[nH]c(-c3ccccc3)c2C1 8914982 TWWFQPNLLITDQE-UHFFFAOYSA-N 372.222 3.631 0 40 FHAB Cn1cc(-c2cccc(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)c2)cn1 72295269 JEFOJIIZGYTPHF-UHFFFAOYSA-N 374.444 3.575 0 40 FHAB Cc1cc2occ(CC(=O)N3CCCC[C@@H]3C(=O)N3CCCC3)c2cc1C 72276943 LBZORYMARLMKCP-LJQANCHMSA-N 368.477 3.596 0 40 FHAB Cn1cc(NC(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)cn1 95999260 NOHPZMWPYQOKQZ-MRXNPFEDSA-N 366.425 3.619 0 40 FHAB FC(F)(F)Oc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1 61718322 OJANWUHYKMAXAU-UHFFFAOYSA-N 363.324 3.813 0 40 FHAB Cc1ccc(C)c(-n2ccnc2SCc2nnnn2-c2ccccc2)c1 24837355 XNEJPNOJEHOISP-UHFFFAOYSA-N 362.462 3.757 0 40 FHAB O=C(Nc1nnc(SCc2ccccc2Cl)s1)[C@H]1CCCO1 61997256 JIBURFAKDNOOST-LLVKDONJSA-N 355.872 3.601 0 40 FHAB O=C(CCc1ccc(O)nc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 559080794 DXXCSXMLOSIYTC-OAHLLOKOSA-N 367.474 3.736 0 40 FHAB O=C(C1CCCC1)N1CCCC[C@@H]1c1ccnc(Nc2ccccn2)n1 72377947 MVPHVXREIGXESH-QGZVFWFLSA-N 351.454 3.859 0 40 FHAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(Cl)c1)c1ccc(OC)cc1 30323441 HYLVUHLOLQSLLU-INIZCTEOSA-N 369.870 3.787 0 40 FHAB CCSc1ccccc1NS(=O)(=O)Cc1ccc(C(=O)OC)cc1 216277391 HMRNMBOGUULJIE-UHFFFAOYSA-N 365.476 3.527 0 40 FHAB Cn1cc([C@@H](NC(=O)N2CCCC(C)(C)CC2)c2ccc(F)cc2)cn1 185993818 DQWFLTFJBWENIY-SFHVURJKSA-N 358.461 3.870 0 40 FHAB Cc1cccc(-c2cncc([C@@H]3CCCN(C(=O)c4ccncc4)C3)n2)c1 72359506 AOKXVDZWSXDPIB-LJQANCHMSA-N 358.445 3.867 0 40 FHAB O=C(CN1CC(c2nc(Cc3ccccc3)no2)C1)c1ccc(Cl)cc1 75156427 ZXRIMMPJNCVDGH-UHFFFAOYSA-N 367.836 3.596 0 40 FHAB Cc1ccc(C(=O)NCc2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)s1 40087479 WFCSZMVUIYCNAC-GASCZTMLSA-N 358.507 3.596 0 40 FHAB C[C@H](COc1ccccc1)NC(=S)Nc1cccc(N2CCCC2=O)c1 225784258 MHRXWRHCHVTWOL-OAHLLOKOSA-N 369.490 3.567 0 40 FHAB COc1ccc(NC(=O)c2csc(Nc3ncccn3)n2)cc1Cl 49032220 LFKLUBNXMICWDY-UHFFFAOYSA-N 361.814 3.591 0 40 FHAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)C[C@@H]2Sc3ccccc3NC2=O)o1 195544823 XGWNNLZDOQYTCX-DFHBCGBQSA-N 370.474 3.865 0 40 FHAB COc1ccc(CC(=O)NCc2nc(-c3ccccc3Cl)no2)cc1C 224791033 IRYMJWLAERVLLK-UHFFFAOYSA-N 371.824 3.566 0 40 FHAB CCCN(CC(=O)Nc1ccccc1C)C(=O)Cc1noc2ccccc12 46560852 HODWOHHWROIEGL-UHFFFAOYSA-N 365.433 3.556 0 40 FHAB Cn1cc(C(=O)Nc2ccc(Br)cc2)c(=O)c2ccccc21 41056892 NYHFGAPJGFZFTN-UHFFFAOYSA-N 357.207 3.553 0 40 FHAB C[C@@H](NC(=O)c1ccc(NC(N)=O)cc1)c1ccc(OC(F)(F)F)cc1 40081215 UWPYANXXLJFFGT-SNVBAGLBSA-N 367.327 3.567 0 40 FHAB O=C(NCc1cccnc1-c1ccncc1)C1(c2ccccc2)CCOCC1 225748782 IGMBCDOYISTHMO-UHFFFAOYSA-N 373.456 3.508 0 40 FHAB Cc1nccn1-c1ccc([C@@H](C)Nc2cnn([C@@H]3CCOC3)c2C)cc1 579795359 HUYLGOMUUFUJMG-AUUYWEPGSA-N 351.454 3.820 0 40 FHAB NC[C@@H]1[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242437478 CCBRIIRNEXJGBX-PMPSAXMXSA-N 356.274 3.508 0 40 FHAB C[C@@H](NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 242565695 CFHRBPYQOJZQBM-GOSISDBHSA-N 372.468 3.812 0 40 FHAB COc1ccc2ccccc2c1CNC[C@@H]1CCCO[C@H]1c1cn[nH]c1 623768376 UEKIFSOAVRPFPO-HRAATJIYSA-N 351.450 3.829 0 40 FHAB CCCS(=O)(=O)Nc1cccc(NC(=O)N2[C@@H](C)CCC2(C)C)c1C 639653039 ZIFGZBBFADCZRE-ZDUSSCGKSA-N 367.515 3.942 0 40 FHAB COc1ccc2c(c1)[C@@H](C(=O)N[C@H](CC(=O)O)c1cccs1)CCC2 656231782 DVBMGTGAJSRKRI-GOEBONIOSA-N 359.447 3.509 0 40 FHAB O[C@@H]1[C@@H](NCCCOc2ccccc2)CCC[C@H]1Oc1ccc(F)cc1 585290077 ZOXAJIGHLJLPMH-PWRODBHTSA-N 359.441 3.545 0 40 FHAB c1cncc(O[C@H]2CSC3(C2)CN(Cc2cccc4[nH]ccc24)C3)c1 585103363 AVFIBUANWNCEPK-QGZVFWFLSA-N 351.475 3.702 0 40 FHAB c1cc(CN2CCC(c3nccnc3-c3ncc[nH]3)CC2)c2cc[nH]c2c1 585182566 RYWCBFZNQHEKHO-UHFFFAOYSA-N 358.449 3.728 0 40 FHAB O=C(/C=C/c1cccc(F)c1)OCC(=O)c1ccc(OC(F)F)cc1 3258765 JAFRRWYRDRFVIF-RUDMXATFSA-N 350.292 3.866 0 40 FHAB Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CN[C@H]3CCc4ccccc43)cc12 12186425 SXPPSEZERVXURQ-NRFANRHFSA-N 370.456 3.799 0 40 FHAB CCc1c(C)sc2ncn(C3CCN(C(=O)C4CCCC4)CC3)c(=O)c12 12276435 HTJIOBCAYZJEBP-UHFFFAOYSA-N 373.522 3.683 0 40 FHAB COc1ccccc1C1(O)CCN(Cc2cn(C)c3ccccc23)CC1 12328790 UMMJOEVAFMEOQK-UHFFFAOYSA-N 350.462 3.671 0 40 FHAB CNC(=O)c1ccc(/C=C/C(=O)NCc2ccc(Cl)cc2Cl)cc1 13005579 WMUZDPGHERGWQT-RUDMXATFSA-N 363.244 3.683 0 40 FHAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(F)cc2)cc1 13008834 WFPIEFNHWAYZEY-UHFFFAOYSA-N 372.425 3.784 0 40 FHAB Cc1ccc(OCCNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 13649101 ZKNRDLLEYMXVKM-UHFFFAOYSA-N 360.262 3.659 0 40 FHAB CCC(CC)NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 15615407 ZYMNEGJAWPDQKL-UHFFFAOYSA-N 360.479 3.714 0 40 FHAB C[C@@H](Sc1ccccc1Br)C(=O)NC(=O)NC(C)(C)C 16549048 KPYHUKUYCSJXAN-SECBINFHSA-N 359.289 3.554 0 40 FHAB CCC[C@H](C(=O)N(C)C[C@H]1OCCc2ccccc21)n1nc(C)cc1C 19501777 WAKBPULMDUSNHT-WOJBJXKFSA-N 355.482 3.614 0 40 FHAB CCCCOC(=O)/C(=C/c1cccc(OC)c1)NC(=O)c1ccccc1 1735389 XNTWVEAEOSDZCB-CYVLTUHYSA-N 353.418 3.809 0 40 FHAB COc1ccc(CCN2C(=O)CS[C@@H]2c2ccc(C)cc2)cc1OC 19898661 XPAIPWBUHCFJJQ-HXUWFJFHSA-N 357.475 3.829 0 40 FHAB Cc1sc2nc(CSc3nnc(C4CC4)n3C3CC3)[nH]c(=O)c2c1C 5165973 LFTZHCBJKXHPRO-UHFFFAOYSA-N 373.507 3.698 0 40 FHAB COc1ccc(C)c2sc(N3CCC(NC(=O)C(C)(C)C)CC3)nc12 2087132265 RPNLOQCGKWMJPK-UHFFFAOYSA-N 361.511 3.744 0 40 FHAB Cc1scc(C(=O)N2CCC3(CCCN(c4ncccn4)C3)CC2)c1C 1565553599 FTTAWRFWDPYEDA-UHFFFAOYSA-N 370.522 3.678 0 40 FHAB COc1ccc(C)cc1NC(=O)CSc1ccc(-c2cccnc2)nn1 4358229 QVIIMCVSYBFJTP-UHFFFAOYSA-N 366.446 3.586 0 40 FHAB CCc1cccc2sc(N3CCN(C(=O)Cc4ccccc4)CC3)nc12 4583479 MOXOTSBEOCNTHO-UHFFFAOYSA-N 365.502 3.750 0 40 FHAB O=C(Nc1cccc2c1C(=O)NC2=O)c1ccc(Oc2ccccc2)cc1 5165442 ALMVIYNQUXKHPZ-UHFFFAOYSA-N 358.353 3.615 0 40 FHAB O=C(CSc1ccc(-c2ccccn2)nn1)Nc1ccc(F)cc1F 6859358 AEHZIKKBMXSYNW-UHFFFAOYSA-N 358.373 3.548 0 40 FHAB FC(F)(F)c1ccccc1CN1CCC[C@H](COc2cnccn2)C1 2298206640 PCBXPMUYVWMCAW-AWEZNQCLSA-N 351.372 3.786 0 40 FHAB CC(C)=C[C@H]1[C@H](C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)C1(C)C 25611985 GTYUESRNEPUSFF-QFBILLFUSA-N 369.509 3.953 0 40 FHAB CNC(=O)c1ccc(C)c(NC(=O)c2ccc(COc3ccccc3)o2)c1 40074099 VCXDBVIZYOZBQY-UHFFFAOYSA-N 364.401 3.779 0 40 FHAB Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(C(F)(F)F)cn3)cn2)n1 40088984 OXFPEFIVIWOTGS-UHFFFAOYSA-N 361.327 3.550 0 40 FHAB COc1ccc(-c2nc(CN3CCN(C(=O)CC(C)C)CC3)cs2)cc1 30568378 GQBJJRXQPCVVQR-UHFFFAOYSA-N 373.522 3.509 0 40 FHAB CC(C)n1ncc2cc(NS(=O)(=O)c3ccc(Cl)s3)cnc21 32097946 PLEGSNCXTLRXEQ-UHFFFAOYSA-N 356.860 3.528 0 40 FHAB Cc1ccc(N2CCN([C@@H](C(=O)O)c3c[nH]c4ccccc34)CC2)c(C)c1 20722345 ONAMTOIHRMFQTH-OAQYLSRUSA-N 363.461 3.733 0 40 FHAB COc1cccc(NC(=O)[C@@H](NC(=O)c2cc3ccccc3o2)C(C)C)c1 20763218 KJHBRUNOEJKMDG-IBGZPJMESA-N 366.417 3.835 0 40 FHAB biogenic CCOC(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3csc(C)n3)cc2)C1 32764531 UAGNGDSIKUBREU-HNNXBMFYSA-N 373.478 3.926 0 40 FHAB CCN1C[C@H](CN(C)Cc2nc(-c3cccs3)no2)Oc2ccccc21 32797331 CAVOWADEKOAKRX-AWEZNQCLSA-N 370.478 3.517 0 40 FHAB O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Nc1ccc(F)cc1 52781588 QRWXOFNSQPPVFR-AWEZNQCLSA-N 350.802 3.921 0 40 FHAB CCCC[C@@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2ON1c1ccccc1 102735559 TYGWXDDSOQBXNU-VAMGGRTRSA-N 364.445 3.864 0 40 FHAB Fc1cccc([C@H]2C=C(c3cccnc3)Nc3nc(C(F)(F)F)nn32)c1 103265318 KVTMCUPMDADCMF-CQSZACIVSA-N 361.302 3.887 0 40 FHAB O=S(=O)(c1ccccc1)N(C[C@H]1CC1(Cl)Cl)c1nccs1 22473669 KPHRCXCLLOCMPH-SNVBAGLBSA-N 363.291 3.532 0 40 FHAB Cc1ccc(C(=O)Nc2cccc(CNC3CCN(C4CC4)CC3)c2)cc1 22820511 PWERUMSCUFZEMO-UHFFFAOYSA-N 363.505 3.964 0 40 FHAB O=c1c2cc(Br)ccc2ncn1Cc1ccc(F)cc1Cl 22986952 HKMDFWXQNCDYCX-UHFFFAOYSA-N 367.605 4.000 0 40 FHAB CCCc1n(C[C@@H](O)COc2ccc(Cl)cc2)c2ccccc2[n+]1CC 781063 ATZYLDCRGXMBGE-QGZVFWFLSA-N 373.904 3.995 0 40 FHAB COc1ccccc1N[C@H](NC(=O)c1ccccn1)C(Cl)(Cl)Cl 836840 TYIFLICXKFAKRB-CQSZACIVSA-N 374.655 3.628 0 40 FHAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Nc1ccc(F)c(Cl)c1)C(=O)C2 947878 GVZMQDRHSHYFNZ-QFYYESIMSA-N 359.850 3.616 0 40 FHAB COC(=O)c1c(NC(C)=O)sc(C(=O)Nc2ccc(C)cc2C)c1C 976166 KZONZWZPIQOCRX-UHFFFAOYSA-N 360.435 3.671 0 40 FHAB O=C(Nc1ccc(F)cc1F)NC1(C(=O)N2CCCCC2)CCCCC1 1344920 MYNBOPKZGSHSKV-UHFFFAOYSA-N 365.424 3.802 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)NC(C)(C)C)n1CC(C)C 1361177 QDTVJLYRWHGRRF-UHFFFAOYSA-N 350.488 3.509 0 40 FHAB O=C(CNc1ccccc1N1CCCC1=O)Nc1ccc(F)c(Cl)c1 12558170 OQWWKZMKHGEBCU-UHFFFAOYSA-N 361.804 3.657 0 40 FHAB COC(=O)[C@@]1(C)CCc2c(cc(OC)c3cccc(OC)c23)[C@@H]1CC(=O)O 1596023 KVWMGGAYCRYXGY-BTYIYWSLSA-N 372.417 3.541 0 40 FHAB OC1=Nc2[nH]ncc2[C@H](c2cccc(OCc3cccnc3)c2)SC1 79492169 JPCBEODEXNZRHU-KRWDZBQOSA-N 352.419 3.808 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)O)c(O)c1 2042934 IYVQSOWJCLATKA-MRVPVSSYSA-N 370.188 3.803 0 40 FHAB Cc1noc([C@H]2CCCN(C(=O)Cc3coc4c(C)c(C)ccc34)C2)n1 54660531 PPCGKFRIQKODKK-HNNXBMFYSA-N 353.422 3.690 0 40 FHAB CCOc1ccc(-c2nc3cc(NC(=S)NC(C)=O)ccc3o2)cc1 6242696 VBMXFTYRENDESB-UHFFFAOYSA-N 355.419 3.726 0 40 FHAB CC[C@@H](C)Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 6554863 YTSBOFVZWQJCQY-LLVKDONJSA-N 358.463 3.765 0 40 FHAB Cc1ccc(-n2nc(C)cc2NC(=O)CN(C)Cc2ccc(F)cc2)cc1 6976661 PBOLKYQBLVGFBP-UHFFFAOYSA-N 366.440 3.699 0 40 FHAB Cc1ccc(C)c(N[C@H]2CC(=O)N(c3ccccc3Br)C2=O)c1 7212474 OYBYIVVWXPWRQU-HNNXBMFYSA-N 373.250 3.810 0 40 FHAB O=C(CCCn1cnc2ccccc2c1=O)OCc1cc2ccccc2o1 24864343 XCQLOURYBUDGLJ-UHFFFAOYSA-N 362.385 3.666 0 40 FHAB CCc1ccc(-c2noc(CCC(=O)NCc3cccc(OC)c3)n2)cc1 24926583 HMUCMZNENDRVHO-UHFFFAOYSA-N 365.433 3.557 0 40 FHAB Cc1cccc(C)c1NC(=O)N1[C@@H]2CC[C@@H]1CC(O)(c1cccnc1)C2 100463760 HQVADHZGIZLPKB-QZTJIDSGSA-N 351.450 3.745 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1N[C@H](C(=O)NC1CC1)c1ccccc1 25066056 JHBWBKSYYFWDDI-NRFANRHFSA-N 360.461 3.921 0 40 FHAB Cc1cc(C(=O)CSc2nnnn2-c2cccc(C)c2C)c(C)s1 8316301 SFGFMRFKBDKOSC-UHFFFAOYSA-N 358.492 3.932 0 40 FHAB O=C(Nc1cccc(Cn2ccnc2)c1)C1(c2ccccc2)CCOCC1 25180660 ZRXSFUCHRCPLMX-UHFFFAOYSA-N 361.445 3.618 0 40 FHAB C[C@H]1CCc2[nH]c3ccc(C(=O)OCc4ccc(C(N)=O)cc4)cc3c2C1 12689526 NEOTZKFIXUONEW-ZDUSSCGKSA-N 362.429 3.749 0 40 FHAB Cc1ccc(CN2CN=C(Nc3nc(C)c4cc(C)cc(C)c4n3)NC2)cc1 20634237 GKCJNZICTLFWDJ-UHFFFAOYSA-N 374.492 3.652 0 40 FHAB C[C@H]1NC(=S)N(c2ccc(-c3ccccc3)c(C(F)(F)F)c2)C1=O 55180326 BBDLSBUWWNZGLR-SNVBAGLBSA-N 350.365 3.982 0 40 FHAB CCN(CC)[C@H](CNC(=O)Nc1ccc(N(C)C)cc1)Cc1ccccc1 72280564 UGAQJLKMVIAPLH-NRFANRHFSA-N 368.525 3.827 0 40 FHAB Cc1cc(OCC(=O)NCc2cccc(NC(=O)C3CC3)c2)ccc1Cl 12744786 CWKIVUJXXBRUST-UHFFFAOYSA-N 372.852 3.692 0 40 FHAB CN(C)c1ccc(NC(=O)c2c[nH]c3ccc(Br)cc23)cn1 25107289 PIGQMLSASCEMKX-UHFFFAOYSA-N 359.227 3.644 0 40 FHAB S=C(SCCCCOc1ccccc1)N1CCC2(CC1)OCCO2 2049103 WRBSTEVCUYEPDB-UHFFFAOYSA-N 367.536 3.703 0 40 FHAB CSc1nnc(Cn2nc(-c3cccs3)c3ccccc3c2=O)s1 58391917 FFLJBLVCAHHWEH-UHFFFAOYSA-N 372.500 3.747 0 40 FHAB CCN(c1ccc(C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1)S(C)(=O)=O 113945067 KMJLOHLFZWJXAX-INIZCTEOSA-N 374.506 3.580 0 40 FHAB C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 58413040 HDJPORDKTVQRQB-CZUORRHYSA-N 371.462 3.585 0 40 FHAB Cc1cc(=O)n(CC(=O)Nc2ccc(Cl)cc2F)c(-c2ccccc2)n1 57526429 LNVIXZKGJYVLPB-UHFFFAOYSA-N 371.799 3.650 0 40 FHAB COc1ccc(-c2cc(C(=O)O)n3nc(-c4ccc(F)cc4)cc3n2)cc1 36615672 UHHBLCAUHNVIJF-UHFFFAOYSA-N 363.348 3.909 0 40 FHAB CN(C(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1cc(F)ccc1F 60340382 VALJGWSKHOUWNK-UHFFFAOYSA-N 353.752 3.595 0 40 FHAB O=C(CSc1ccc(Cl)cc1)OCC(=O)N1CCc2ccccc21 2657371 JNRWAXGDLISOCV-UHFFFAOYSA-N 361.850 3.565 0 40 FHAB CCn1cc(C(=O)N[C@H](C)c2ccc(F)cc2)c(=O)c2cc(C)ccc21 22606020 PORYDYASBXVATJ-CQSZACIVSA-N 352.409 3.960 0 40 FHAB CCCCc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 2760660 RACSEDFWGMDPQZ-UHFFFAOYSA-N 358.507 3.540 0 40 FHAB Cc1cc(NC(=O)COc2c(C)cc(Br)cc2Cl)no1 3503785 IQWAHWRLTMDJJT-UHFFFAOYSA-N 359.607 3.725 0 40 FHAB Cc1cc(NC(=O)COc2ccccc2)n(-c2ccc3ccccc3n2)n1 12292295 XEWUYTFGJSVIPM-UHFFFAOYSA-N 358.401 3.746 0 40 FHAB Cc1nc(C(C)(C)C)sc1C(=O)NCc1cccc(N2CCOC2=O)c1 61406700 XNTYQEWIVGJTPP-UHFFFAOYSA-N 373.478 3.636 0 40 FHAB COC(=O)c1ccc(C)c(OCC(=O)N2c3ccccc3CC[C@H]2C)c1 12983019 MICHYGRPSMLCGP-OAHLLOKOSA-N 353.418 3.528 0 40 FHAB COC(=O)c1cccc2c1CCCN2C(=O)CSc1ccccc1C 12996405 FGQHDEGALMGWEF-UHFFFAOYSA-N 355.459 3.853 0 40 FHAB CCc1cc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)sc1C 72303278 OBISAWPTCZNHFW-KURKYZTESA-N 368.502 3.506 0 40 FHAB CCn1nc(C)c(-c2cc(C(=O)O)n3ncc(-c4ccccc4)c3n2)c1C 13645308 VLDNPMOIQAPCJJ-UHFFFAOYSA-N 361.405 3.595 0 40 FHAB CCN(CC)c1nc(Nc2ccc(OC)c(Cl)c2)c2cnn(C)c2n1 9212244 LFBVWXIBQNKTQI-UHFFFAOYSA-N 360.849 3.615 0 40 FHAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3cccnc3)n2C)c(C)c1 5047229 XTQXJNISDNZRHS-UHFFFAOYSA-N 367.478 3.533 0 40 FHAB Cc1ccc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCCC2)cn1 24496458 XPENHLDMXWGBGO-UHFFFAOYSA-N 361.486 3.738 0 40 FHAB Cc1nc2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2s1 6215979 UNSVIFINSKEWBQ-UHFFFAOYSA-N 351.431 3.984 0 40 FHAB O=C(Nc1ccc(Oc2ccc3c(c2)N=C(O)CC3)nc1)[C@@H]1CCCO1 72404729 NGXYQVKCPKTSDV-INIZCTEOSA-N 353.378 3.526 0 40 FHAB C[C@@H](Sc1nncn1C1CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 14092979 HZCQIBBRANJRHR-SECBINFHSA-N 372.372 3.631 0 40 FHAB Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1cn2ccccc2n1 65562053 HRHDCLYGRJLISY-UHFFFAOYSA-N 362.433 3.567 0 40 FHAB Cc1nn(CC(C)C)c2sc(C(=O)NC[C@@H](O)c3ccccc3)cc12 65517832 UTUROCCQDFXGFX-MRXNPFEDSA-N 357.479 3.526 0 40 FHAB CNC(=O)c1ccc(NC(=O)/C=C/C2=Cc3cc(Cl)ccc3OC2)cc1 14140297 RWRKGXJNWNAMPZ-XNWCZRBMSA-N 368.820 3.670 0 40 FHAB CSc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)OCCCO2 9366050 GPERHWHRLBJUTE-UHFFFAOYSA-N 369.446 3.558 0 40 FHAB COc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1OC 14263996 KNYKSOMWJUOJJB-UHFFFAOYSA-N 353.378 3.678 0 40 FHAB O=C(Nc1cc2c(cc1Cl)OCCO2)c1ccc(-n2cccn2)cc1 14245650 MXPGCBOOVPFFTJ-UHFFFAOYSA-N 355.781 3.549 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1nonc1-c1ccc(C)cc1 5483448 FGTNBCJGWLFXBS-OAHLLOKOSA-N 355.369 3.980 0 40 FHAB CCc1nn2c(=O)cc(CSc3nc4ccccc4s3)nc2s1 6588477 KUALLDFFDRVZLE-UHFFFAOYSA-N 360.489 3.615 0 40 FHAB O=C(c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F 4673523 YVXWMEBUEDIYPP-INIZCTEOSA-N 368.742 3.841 0 40 FHAB O=c1c(Cc2cc(Cl)c3cccnc3c2O)c(O)oc2ccccc12 84585671 XDZORBRRRCXXCV-UHFFFAOYSA-N 353.761 3.997 0 40 FHAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1c[nH]c2ccccc12 4742000 FKKWPMPUUBAPIQ-LJQANCHMSA-N 358.401 3.980 0 40 FHAB CCOc1ccc(NC(=O)CCN2CCN(c3ccccc3C)CC2)cc1 4996006 DFJSLEODIISWNW-UHFFFAOYSA-N 367.493 3.545 0 40 FHAB CCN(CC)c1ccc(C(=O)OCc2nc(-c3ccccc3)no2)cc1 7179934 HAUKQOKBLHWUMA-UHFFFAOYSA-N 351.406 3.940 0 40 FHAB Cc1nnc(SCC(=O)N[C@@H](C)c2cc3ccccc3o2)n1C1CC1 7533785 MTQVQXAWHBVBCL-NSHDSACASA-N 356.451 3.637 0 40 FHAB Cc1cccc(C)c1-n1nnnc1SCc1nc(-c2ccccc2)no1 7798558 LUMZUOLDZPKWDC-UHFFFAOYSA-N 364.434 3.621 0 40 FHAB Cn1c(SCC(=O)c2cc3ccccc3o2)nc2sccc2c1=O 7778210 BQYNEBANNAUYKU-UHFFFAOYSA-N 356.428 3.716 0 40 FHAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)NCc1ccco1 408571312 ABETXQGUJMJSAO-PKNBQFBNSA-N 352.415 3.744 0 40 FHAB COc1ccccc1CNC(=O)Cc1csc(-c2ccc(C)cc2)n1 8277247 ASXLXGLFEWUUGD-UHFFFAOYSA-N 352.459 3.986 0 40 FHAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccc2c(c1)OC(F)(F)O2 9647382 OIHMHRBWPJIMTE-GFCCVEGCSA-N 366.389 3.845 0 40 FHAB CC(C)n1nccc1NC(=O)[C@H](C)N(C)Cc1ccc(C(F)(F)F)cc1 96791704 GKRHOMATCHHPOV-ZDUSSCGKSA-N 368.403 3.942 0 40 FHAB CCc1nc2ccccc2n1CC(=O)Nc1cccc(Br)c1 17335008 GLPUENWLIGAZTM-UHFFFAOYSA-N 358.239 4.000 0 40 FHAB CC(C)c1ccc([C@@H](NC(=O)N2CCN(C(=O)C3CC3)CC2)C(C)C)cc1 9759192 XRIGJGSILDPKDD-FQEVSTJZSA-N 371.525 3.771 0 40 FHAB OCc1nc2ccccc2n1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 21473941 LPYUEHCJZBSMFE-LJQANCHMSA-N 374.440 3.636 0 40 FHAB O=C(CSc1nncs1)N[C@@H](c1ccc(F)cc1)c1cccs1 8505414 OJVSHADHJSXAEB-AWEZNQCLSA-N 365.480 3.737 0 40 FHAB C[C@@H](NC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1)c1ccon1 95468898 JLMDRXQUPVRLSZ-CQSZACIVSA-N 364.405 3.834 0 40 FHAB COc1cccc(/C=C/C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1 8704413 RCRCJDIJJLOMAV-DHZHZOJOSA-N 350.418 3.782 0 40 FHAB C[C@H]1CCC[C@H](C)N(C(=O)c2oc3ccccc3c2CS(C)(=O)=O)C1 97002782 LVRNOGNEALWINF-KBPBESRZSA-N 363.479 3.628 0 40 FHAB Cc1cc(C(=O)NC(C)C)ccc1NCc1noc(-c2ccccc2)n1 75103431 QWYBQPSNOMDINN-UHFFFAOYSA-N 350.422 3.795 0 40 FHAB Cc1ccc(OCCC(=O)Nc2cccc(NC(=O)NC3CC3)c2)c(C)c1 24441177 VDRWMXXVUVGSIE-UHFFFAOYSA-N 367.449 3.995 0 40 FHAB C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 123300644 MULSOMSXPSGJAM-SRNHMFRHSA-N 364.526 3.698 0 40 FHAB O=C(C[C@H](c1ccsc1)n1cccc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 524732820 QHWXDGZRYGJATN-GGPKGHCWSA-N 358.507 3.683 0 40 FHAB Cc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(F)cc2)cn1 72347585 TYJWXSKMDVWRKB-GOSISDBHSA-N 350.397 3.522 0 40 FHAB COc1ccccc1-n1ncc2c(C)nnc(SCc3cccnc3)c21 36705181 CBAQVTZHYYBANF-UHFFFAOYSA-N 363.446 3.820 0 40 FHAB COC(=O)c1ccc(CN(C)C(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 30210959 MIAHQRCDJMSSBC-CYBMUJFWSA-N 361.825 3.553 0 40 FHAB Cc1nc(-c2ccccc2O)nn1CC(=O)c1ccc(Br)cc1 72370104 IVULFMQDDIQUTM-UHFFFAOYSA-N 372.222 3.605 0 40 FHAB Cc1ccc(-c2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4)C3)no2)cc1 44428551 HSIHKESLRPGTPM-INIZCTEOSA-N 351.381 3.700 0 40 FHAB COc1cccc([C@H](CNC(=O)CCCc2ccccc2)N2CCCC2)c1 40107426 VATJZIFLHDDRNA-QFIPXVFZSA-N 366.505 3.971 0 40 FHAB COCc1cc(C(=O)Nc2cccc(Br)c2)ccc1OC 224396666 VWVQQOAERSBGMG-UHFFFAOYSA-N 350.212 3.856 0 40 FHAB O=C(CCSc1ccccc1Br)NCc1cccnc1 40107207 JKGRTXQQDGOSPC-UHFFFAOYSA-N 351.269 3.643 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)NCc1ccccc1CN1CCCC1 224791445 LAHUWXWGDVGGKP-FQEVSTJZSA-N 370.468 3.895 0 40 FHAB CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1cc(F)c(F)c(F)c1 96116784 HHCCMZCSEAFRRS-UHFFFAOYSA-N 361.323 3.656 0 40 FHAB CO[C@H]1CCN(C(=O)c2cc(C)nc(C)c2)C[C@@H]1Cc1cccc(C)c1 96207281 MEWGSXXOOGWZGY-SFTDATJTSA-N 352.478 3.727 0 40 FHAB CCCn1nccc1-c1nccnc1CC1CCN(C(=O)C(C)(C)C)CC1 257340596 ZGVJTSPVTDGMPT-UHFFFAOYSA-N 369.513 3.577 0 40 FHAB Cc1nc(-c2cccs2)sc1CNS(=O)(=O)c1ccccc1F 90592836 IWIHKDRHINYXKF-UHFFFAOYSA-N 368.480 3.798 0 40 FHAB Cc1cccc([C@@H]2CCN(C(=O)N[C@H](C[C@@H]3CCCO3)C(F)(F)F)C2)c1 654263291 GPUZAKHKVFPCEP-IXDOHACOSA-N 370.415 3.994 0 40 FHAB C[C@@H](O)[C@@H](NC(=O)NCCc1ccc(C(F)(F)F)cc1)c1ccccc1 663400465 QOQMNQUGTWCAOE-CXAGYDPISA-N 366.383 3.669 0 40 FHAB C[C@H](CF)NC(=O)N1CCC(C)(c2ccc(Br)cc2)CC1 673575696 KSWKKKGCIVWROR-GFCCVEGCSA-N 357.267 3.870 0 40 FHAB CC(C)[C@@]1(CO)CCCN(c2nc(-c3cc(F)cc(F)c3)ns2)C1 645249489 AQBCSXFVAMPIMU-KRWDZBQOSA-N 353.438 3.718 0 40 FHAB COc1ccc(CN2CC[C@@H](c3nc(-c4ccc(OC)cc4)no3)C2)cc1 585172048 NKGKOLWMMNETIL-QGZVFWFLSA-N 365.433 3.743 0 40 FHAB Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1ccnc2c1ncn2C 575148536 NIFAQTYUFCTXRP-UHFFFAOYSA-N 361.380 3.730 0 40 FHAB Cc1cc(I)ccc1NC(=O)Cc1ccccc1 1230835 BPGRQZDEXXUYTK-UHFFFAOYSA-N 351.187 3.781 0 40 FHAB Cc1ccc(-n2nc(C)c(NC(=O)CSc3nnc(C)s3)c2C)cc1 5053860 ZSHAFIYCJCTWRL-UHFFFAOYSA-N 373.507 3.688 0 40 FHAB COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1 5546496 XFBONJLYCGLWBW-UHFFFAOYSA-N 358.401 3.990 0 40 FHAB O=C(NC[C@@H]1COc2ccccc2O1)Nc1ccc(Cl)c(Cl)c1 5604807 XMOKZRXQUHKQDF-LLVKDONJSA-N 353.205 3.955 0 40 FHAB C[C@@H](NC(=O)C1CCN(c2nc3ccccc3n2C)CC1)c1cccs1 12116349 ORCLAVBEBBCJPH-CQSZACIVSA-N 368.506 3.729 0 40 FHAB COc1ccc2cc(CN(C)[C@H](C)Cc3ccccn3)c(OC)nc2c1 12148177 KDPUDVQJKPYIQY-OAHLLOKOSA-N 351.450 3.710 0 40 FHAB CC(=O)Nc1cccc(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1 15440040 ZUCCTOHRRSKZCT-UHFFFAOYSA-N 350.340 3.636 0 40 FHAB CN1CCCCC[C@@H]2N(C(=O)c3cnn(C)c3)[C@H](c3ccccc3)C[C@@]21C 19713546 GZVMEMXAHXTELX-ONTIZHBOSA-N 366.509 3.640 0 40 FHAB CC(C)Oc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1Br 6307285 NGJDIOIPAOLBPE-GHXNOFRVSA-N 356.241 3.902 0 40 FHAB CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccccc2Cl)C1=O 6326946 VZXUSWHGCDOXQU-NTUHNPAUSA-N 353.827 3.576 0 40 FHAB C[C@H](O)c1ccc(C2(CNS(=O)(=O)c3cccs3)CCCC2)s1 225683573 ADYFTJDCNAGKNW-LBPRGKRZSA-N 371.549 3.653 0 40 FHAB CCN1CCc2cc(OC)c(OC)cc2[C@@H]1Cc1ccc(OC)c(OC)c1 4610556 LEMXXRFPPUUCQG-SFHVURJKSA-N 371.477 3.883 0 40 FHAB biogenic,in-vitro O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)c1ccc(Cl)cc1 3015164 HLNUMTGNJQAULW-UHFFFAOYSA-N 358.850 3.873 0 40 FHAB O=C(Cc1ccsc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 5200063 ZKZFFPVACDDPSN-UHFFFAOYSA-N 370.396 3.785 0 40 FHAB COc1cc(C(=O)OCC(=O)c2ccc(F)c(F)c2)ccc1OC(F)F 6170113 SUUQAPPWTCOFJH-UHFFFAOYSA-N 372.270 3.615 0 40 FHAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NCC(F)(F)F)c2n1 12970570 DPWWPWIJXMTLBV-UHFFFAOYSA-N 367.154 3.907 0 40 FHAB O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(Br)s1 29982174 AIPHJQJZBQAABD-UHFFFAOYSA-N 352.257 3.758 0 40 FHAB Cc1cccc(CN2CCC3(CC[C@@H](CNC(=O)OC(C)C)OC3)CC2)c1 2056225071 ANKBYSDVYFLGIJ-FQEVSTJZSA-N 374.525 3.891 0 40 FHAB COCCO[C@@H]1CCN(C(=O)[C@@]2(C)CC=CCC2)[C@H]1Cc1ccccc1 1565555209 ARNZVIZIUPOOAQ-VWPQPMDRSA-N 357.494 3.608 0 40 FHAB CCCCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCCC 4087437 UQMJXDPTJPEIAC-UHFFFAOYSA-N 362.499 3.519 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 4373960 MNOWQSZLNOQGJO-AWEZNQCLSA-N 361.804 3.715 0 40 FHAB O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1cccc(F)c1 4479515 ZIXLJWMWCSUVBF-UHFFFAOYSA-N 362.158 3.891 0 40 FHAB Cc1ccc(CSc2nc(=O)n(Cc3ccco3)c3c2CCC3)cc1 4940129 RCEQGNQAOYRELM-UHFFFAOYSA-N 352.459 3.974 0 40 FHAB CC(C)Oc1ccc(-c2noc(-c3nn(-c4ccccc4)ccc3=O)n2)cc1 49006316 YSJICDLZPZYSGG-UHFFFAOYSA-N 374.400 3.737 0 40 FHAB COc1ccccc1NC(=O)COc1ncnc2sc3c(c12)CCCC3 3366299 YMYYBMYCHRXAEM-UHFFFAOYSA-N 369.446 3.596 0 40 FHAB COc1cccc(CN(Cc2ccco2)C[C@H](O)COc2ccccc2)c1 32622456 RYFOCPACPXUFLM-IBGZPJMESA-N 367.445 3.730 0 40 FHAB Cc1nc2ccccc2n1[C@H]1C[C@H]2CN(Cc3ccsc3)C[C@H]2C[C@@H]1O 2332242654 GFTFSUQWNURHGV-JWWGGVBKSA-N 367.518 3.850 0 40 FHAB Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)c1nc2ccccc2s1 40040115 IQRRZRLGPPXAHX-UHFFFAOYSA-N 356.495 3.971 0 40 FHAB C[C@H](C(=O)Nc1cccc(NC(=O)NC2CC2)c1)n1cnc2ccccc21 30562249 NTEKVEDQOLPFDZ-CYBMUJFWSA-N 363.421 3.520 0 40 FHAB CCCN(Cc1ccccc1)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1 40104848 KKZXJOUCZFZRIL-UHFFFAOYSA-N 369.465 3.598 0 40 FHAB CCCCn1c(S[C@H](C)c2nc3ccccc3n2C(F)F)n[nH]c1=O 30672820 ALNUMMFFZHSMOT-SNVBAGLBSA-N 367.425 3.970 0 40 FHAB CCc1ccc([C@@H](C)NC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1 32863022 OIYASWKDTZYGCS-MRXNPFEDSA-N 365.477 3.936 0 40 FHAB O=S(=O)(c1cccc(NCc2ccccc2Cl)c1)N1CCCC1 32904986 NQBNLTBANGWCAH-UHFFFAOYSA-N 350.871 3.737 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(N(C)C)cc3)CC2=O)cc1Cl 800569 MLVKMOMMTSDFAD-CQSZACIVSA-N 371.868 3.706 0 40 FHAB Cc1ccc2cc(C)c3nnc(SCC(=O)N4CCC(C)CC4)n3c2c1 903111 ALCFFYBOXXZKOK-UHFFFAOYSA-N 368.506 3.850 0 40 FHAB CCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)OC)c2)cc1OC 944761 FQWGKNSOXPMGPU-PKNBQFBNSA-N 355.390 3.532 0 40 FHAB COc1cc(OC)c(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(OC)c1 1012747 ANFOUMQFXPVCQH-BOPFTXTBSA-N 371.414 3.953 0 40 FHAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C 1225065 WZJCDMVXGVTWMP-GFCCVEGCSA-N 358.492 3.971 0 40 FHAB CCN(CC)C(=O)c1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1 1396428 RSYBXMTZOJFLOG-UHFFFAOYSA-N 353.249 3.685 0 40 FHAB Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3cccc(F)c3)ccc12 2148665 KWGHOPKGQKLTEJ-UHFFFAOYSA-N 356.349 3.755 0 40 FHAB biogenic NNc1nc2c(c(=O)n1-c1ccccc1)C1(CCCC1)Cc1ccccc1-2 2286009 AWGHPWGLEOCPRZ-UHFFFAOYSA-N 358.445 3.553 0 40 FHAB O=S(=O)(Nc1nc2ccccc2s1)c1ccc(Br)cc1 2700156 TZKGLAAZNDOASV-UHFFFAOYSA-N 369.265 3.860 0 40 FHAB O=C(Cc1ccccc1)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 3008147 RHFRHAJWAJQAOR-UHFFFAOYSA-N 353.422 3.939 0 40 FHAB Cc1nc(NC[C@H]2COc3ccccc3O2)c2c3c(sc2n1)CCC3 3343920 KQAXVTIAUNIGHV-LBPRGKRZSA-N 353.447 3.740 0 40 FHAB CN(C)[C@@H](CNC(=O)c1cccnc1Sc1ccccc1)c1ccco1 3414491 SZOCRTAHZVCDBY-KRWDZBQOSA-N 367.474 3.859 0 40 FHAB CCOc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1OC(F)F 3462018 LWEOONGDWNRHRN-UHFFFAOYSA-N 351.305 3.668 0 40 FHAB CCOc1ccc([C@@H](CC(=O)O)NC(=O)C[C@@H](C)c2ccccc2)cc1 3624696 KLTPKDWETZFLCT-DNVCBOLYSA-N 355.434 3.911 0 40 FHAB COc1ccccc1C(=O)NCCSc1ncc(-c2ccc(F)cc2)[nH]1 4315662 HDYLONZFGOLQSO-UHFFFAOYSA-N 371.437 3.747 0 40 FHAB O=c1c2oc3ccccc3c2n(Cc2ccccc2)c(=O)n1Cc1ccco1 4316094 SIICHDZPRMAEEN-UHFFFAOYSA-N 372.380 3.599 0 40 FHAB CNc1nc(Nc2ccccc2)nc(OC(C(F)(F)F)C(F)(F)F)n1 4600445 IQWQRKAECXHZKW-UHFFFAOYSA-N 367.253 3.529 0 40 FHAB CC[C@H](C)NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 5043591 UIFUXZCJCAGXFM-OPQQBVKSSA-N 356.348 3.665 0 40 FHAB Clc1ccccc1-n1ncc2c1ncn1c(CCc3ccccc3)nnc21 5241786 NXOGRIFAFXHEJC-UHFFFAOYSA-N 374.835 3.902 0 40 FHAB C[C@@H](Nc1ccc2c3c(cccc13)C(=O)N(CCO)C2=O)c1ccccc1 5357968 DQWJJPVGSHRAIE-CQSZACIVSA-N 360.413 3.601 0 40 FHAB CCN(CC(=O)Nc1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 6593934 XIFAYZGCTNRZJH-UHFFFAOYSA-N 374.506 3.570 0 40 FHAB COc1ccc2c(C)c(CC(=O)Nc3cccc(C)c3)c(=O)oc2c1OC 6660309 QZZXCAUOOWYLGC-UHFFFAOYSA-N 367.401 3.608 0 40 FHAB Cc1nc2ncnn2c(Nc2ccc(N(C)C)cc2)c1Cc1ccccc1 6672537 XOBUTKWXQCXNEP-UHFFFAOYSA-N 358.449 3.833 0 40 FHAB CCOc1ccccc1C[C@@H]1SC(=O)N(CCOc2ccccc2)C1=O 7066082 ZOGHVGLBWSRDAM-SFHVURJKSA-N 371.458 3.771 0 40 FHAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)NC(=O)[C@H]1CCCN21 7104868 QQCYDUMJURKQJN-MRXNPFEDSA-N 359.788 3.652 0 40 FHAB O=C(c1cc(F)ccc1Br)N1CCN(c2ccccc2)CC1 7372559 VXCGEYKSERUYHF-UHFFFAOYSA-N 363.230 3.551 0 40 FHAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc2c(c1)CCC2 7889024 AGEBOGDTXGNKGY-UHFFFAOYSA-N 372.852 3.548 0 40 FHAB COc1ccc2ccc(OCC(=O)NCCOc3cccc(C)c3)cc2c1 8243294 YSEOSGAOWUZOMH-UHFFFAOYSA-N 365.429 3.731 0 40 FHAB C[C@@H]1Oc2c(C(=O)Nc3ccc(N4CCCC4=O)cc3)cccc2[C@@H]1C 8280164 RQZUUHSFODMWPN-KGLIPLIRSA-N 350.418 3.950 0 40 FHAB COc1ccc(NC(=O)CN(C)C(=O)CSc2ccc(C)c(C)c2)cc1 8312952 ILTVLYCADGSHKD-UHFFFAOYSA-N 372.490 3.501 0 40 FHAB CC(=O)c1ccc(-n2c(S)nnc2-c2cc(-c3ccccc3)n[nH]2)cc1 8555695 YDXLVWAICFOUIG-UHFFFAOYSA-N 361.430 3.816 0 40 FHAB NC(=O)c1cccc(NC(=O)CCc2ccc(-c3ccccc3F)o2)c1 8942272 MNBSPJCZTVNXDA-UHFFFAOYSA-N 352.365 3.756 0 40 FHAB CCCC(=O)NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1 9140730 IEEBQIGHURTNNF-UHFFFAOYSA-N 353.447 3.786 0 40 FHAB CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)C(c1ccccc1)c1ccccc1 10255932 GXKNBLSFXZKNCN-NRFANRHFSA-N 370.452 3.522 0 40 FHAB CCOC(=O)c1ccc(NC(=O)COc2ccc(F)cc2Cl)cc1 11028279 YVPKFYIWBMLSDV-UHFFFAOYSA-N 351.761 3.673 0 40 FHAB Cc1ccccc1OCC(=O)N1CCC(c2nc3ccccc3o2)CC1 11999861 WINZTVDMLCPEOA-UHFFFAOYSA-N 350.418 3.921 0 40 FHAB Cc1cc(C)c2c(n1)nn1c(NCc3ccc4c(c3)OCO4)cc(C)nc21 12114014 GZLSGTGOAHZQIY-UHFFFAOYSA-N 361.405 3.544 0 40 FHAB O=C(CCc1ncc(-c2ccccc2F)o1)OCC(=O)c1ccccc1 12273098 QZOHKZIPFZREOB-UHFFFAOYSA-N 353.349 3.839 0 40 FHAB CCOc1ccc2[nH]c(C(=O)N(C)[C@H](C)Cc3ccccn3)c(C)c2c1 12290393 HTAVBFRPBPFTJD-CQSZACIVSA-N 351.450 3.973 0 40 FHAB Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(F)cc3)CC1)O2 12293759 MCZKOYYYOZMNKA-VQTJNVASSA-N 371.452 3.518 0 40 FHAB CSc1ccccc1NC(=O)[C@@H](C)Nc1ccc2c(c1)CCN2C(C)=O 12594359 ZWPYECUYRZBJMA-CYBMUJFWSA-N 369.490 3.757 0 40 FHAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCCOc1ccccc1C 12799764 GWMMIPPEKHRFCZ-UHFFFAOYSA-N 361.463 3.505 0 40 FHAB Cc1ccc(CCC2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)cc1 12811911 DUSTVILHXGKDPW-UHFFFAOYSA-N 368.506 3.617 0 40 FHAB Cn1c(-c2ccccc2F)nn(CN2CCc3sccc3C2)c1=S 12924452 ZJYHSFZPTFYVEG-UHFFFAOYSA-N 360.483 3.834 0 40 FHAB CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1 12974716 OTCNPIUTLJJXCU-UHFFFAOYSA-N 358.463 3.533 0 40 FHAB COc1cc([C@@H]2Oc3c(OC)cc([C@H](OC)[C@@H](C)O)cc3[C@H]2C)ccc1O 13340384 DHRVKFSLKMAPEL-IIBDXVJDSA-N 374.433 3.715 0 40 FHAB endogenous,in-man Cc1c(CC(=O)Nc2ccc(F)c(Cl)c2)c(=O)oc2cc(O)ccc12 13690517 BMLBCELQGYJOSI-UHFFFAOYSA-N 361.756 3.781 0 40 FHAB COc1ccccc1CNC(=O)CSCc1nc2ccccc2s1 13987460 LQRHPIQRTFHREA-UHFFFAOYSA-N 358.488 3.855 0 40 FHAB O=C(Nc1cccc(Cl)c1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 14000328 DSXULPOCFBAOQM-OAHLLOKOSA-N 373.840 3.893 0 40 FHAB Cc1cc(NC(=O)[C@@H](Sc2nc(C(C)C)n[nH]2)c2ccccc2)no1 14084022 VRNXANQRABVLJJ-AWEZNQCLSA-N 357.439 3.697 0 40 FHAB O=S(=O)(Cc1ccccc1)Nc1ccn(Cc2ccc(Cl)cc2)n1 14222103 YVZFLBLVFKSUFD-UHFFFAOYSA-N 361.854 3.527 0 40 FHAB O=S(=O)(Nc1cccc(Cn2cccn2)c1)c1ccc2ccccc2c1 14232485 NSGDNCPIMMMFIX-UHFFFAOYSA-N 363.442 3.885 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)Sc2n[nH]c(/C=C/c3ccc(F)cc3)n2)no1 14898032 QNHHADKTIXUDID-AYLMVEPYSA-N 373.413 3.530 0 40 FHAB CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(N2CCOCC2)cc1 15631891 CPCXDIRYXDHEFJ-UHFFFAOYSA-N 368.477 3.838 0 40 FHAB Cc1nn(-c2cccc(Cl)c2)nc1C(=O)NCCSc1ccccc1 15833312 XRQCSSHDLKPTMQ-UHFFFAOYSA-N 372.881 3.751 0 40 FHAB CN(CCCNC(=O)c1ccccc1Cl)C(=O)c1ccccc1Cl 16188531 IGZJMMBYJMLGFR-UHFFFAOYSA-N 365.260 3.886 0 40 FHAB CCC(=O)N[C@H](c1nccs1)[C@H]1CCCN(Cc2ccccc2F)C1 19499267 QAMNTSOZPXCCRN-YJBOKZPZSA-N 361.486 3.762 0 40 FHAB O=C(Nc1nc(-c2ccc[nH]2)cs1)c1c[nH]nc1-c1ccc(F)cc1 21448750 RFLPTEJSNIYGCB-UHFFFAOYSA-N 353.382 3.920 0 40 FHAB O=C(Nc1cccc(C(=O)N(Cc2ccccc2)C2CC2)c1)[C@@H]1CCCO1 26070891 NWNWIRTXUZJHKY-FQEVSTJZSA-N 364.445 3.609 0 40 FHAB CC(=O)Nc1ccc(C(=O)N[C@@H](C)c2cccc(Br)c2)cc1 27745768 JRZABNHFEYDOQC-NSHDSACASA-N 361.239 3.899 0 40 FHAB CN(CCCNC(=O)N[C@@H](c1ccccc1)c1ccccn1)c1ccccc1 29730203 VDBQYVSPQHDYPA-QFIPXVFZSA-N 374.488 3.997 0 40 FHAB O=C(NCc1ccnc(N2CCCC2)c1)NC1CCC(C(F)(F)F)CC1 29733532 WUCBRIYTOFDMDA-UHFFFAOYSA-N 370.419 3.602 0 40 FHAB O=C1C[C@H](C(=O)N2CCCSc3ccccc32)CN1c1ccccc1F 32676017 IUKRIUBMFPQERC-AWEZNQCLSA-N 370.449 3.708 0 40 FHAB O=C(CCNC(=O)c1sccc1-c1ccccc1)Nc1ccccn1 40154440 WJLRUYRONDJMFS-UHFFFAOYSA-N 351.431 3.569 0 40 FHAB Cc1ccc(C)c(O[C@H](C)C(=O)NCc2ccc(CN3CCCC3)cc2)c1 44872551 HGPJMGVOPBSBRA-LJQANCHMSA-N 366.505 3.983 0 40 FHAB CCc1nnsc1C(=O)NCc1ccc(CN2C[C@H](C)C[C@@H](C)C2)cc1 48310345 YVYHVDOXTORDBU-HUUCEWRRSA-N 372.538 3.508 0 40 FHAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CCc2sccc2C1 48340611 IXNAGMMOMFVTPR-UHFFFAOYSA-N 355.463 3.995 0 40 FHAB COCCn1ncc2ccc(NC(=O)c3csc(-c4ccco4)n3)cc21 48364449 LGPBULSJYOBJIS-UHFFFAOYSA-N 368.418 3.652 0 40 FHAB CC(=O)c1ccc(NC(=O)c2cc(O)c(OCc3ccccc3)cn2)cc1 49551491 BUXSGDLVDPEEFC-UHFFFAOYSA-N 362.385 3.821 0 40 FHAB COC(=O)c1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc1 50548023 DWUZXCKIPNUJJT-GDNBJRDFSA-N 354.387 3.567 0 40 FHAB CC(=O)Nc1cc(C(=O)N2CCCCC[C@@H]2c2ccncc2)ccc1F 53513037 ZRCDPTURZSJPIO-LJQANCHMSA-N 355.413 3.937 0 40 FHAB Cc1sc2nc(CC(=O)Nc3cccc4ccccc34)[nH]c(=O)c2c1C 55492920 XZLXAGCXENBFDL-UHFFFAOYSA-N 363.442 3.936 0 40 FHAB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1nc(C2CC2)no1 55714587 FXBYDXSUYQCJLE-AWEZNQCLSA-N 363.417 3.698 0 40 FHAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@@H](C)c2sc(C)nc2C)c1 56487231 XFCJWWJEXJWSNE-PWSUYJOCSA-N 360.483 3.840 0 40 FHAB Fc1cccc([C@H]2CCCN2C[C@@H]2CN(Cc3ccccc3)CCO2)c1 58166159 MGTNBLMEXLEPLM-FCHUYYIVSA-N 354.469 3.864 0 40 FHAB Cc1cc(C)n(CC2CCN(C(=O)CSCc3ccccc3)CC2)n1 62130906 JXPJAIRGRBSARO-UHFFFAOYSA-N 357.523 3.672 0 40 FHAB COc1ccc(C(=O)N(C)C)cc1NC(=O)NC1(c2ccccc2)CCC1 63160479 RJFRJNVMPYUUNT-UHFFFAOYSA-N 367.449 3.598 0 40 FHAB Cc1c(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)oc2c1C(=O)CCC2 65514029 HNMLJVXPNUNVBE-ACJLOTCBSA-N 353.418 3.709 0 40 FHAB Cc1ccc(-c2[nH]ncc2C(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1 72328650 LTNXFDVDJJVXMA-UHFFFAOYSA-N 374.488 3.964 0 40 FHAB COC(=O)[C@H](C(C)C)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 75092794 LMUWGUGCABFMMK-INIZCTEOSA-N 350.846 3.858 0 40 FHAB CCOC(=O)N1CCN(c2nc3c(C(F)(F)F)cccc3s2)CC1 75166729 SYANHGROAWNYEU-UHFFFAOYSA-N 359.373 3.594 0 40 FHAB CCc1noc(CC)c1Cc1nc(-c2ccc(Br)o2)no1 88337592 NESNZKXUZZHOGK-UHFFFAOYSA-N 352.188 3.796 0 40 FHAB CN(C)[C@@H](CNC(=O)Nc1c(F)cccc1F)c1cn(C)c2ccccc12 96096351 LJIGPZPDGSWNSV-SFHVURJKSA-N 372.419 3.881 0 40 FHAB COC[C@@H]1CN(C(=O)C[C@@H]2C=CCC2)Cc2cnn(CC3CCCC3)c21 96198443 OKOMYTZQZCVYIM-APWZRJJASA-N 357.498 3.502 0 40 FHAB COc1cc(CNCc2ccc(N3CCCC3)nc2)cc(Cl)c1OC 97079670 ZJDWPGWHNXJFIH-UHFFFAOYSA-N 361.873 3.642 0 40 FHAB O=C1C[C@@H](Nc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 101276630 BKUKKECZNQITBI-CQSZACIVSA-N 353.180 3.877 0 40 FHAB COc1cccc2ccc(/C=C3\NC(=S)N(c4ccccc4)C3=O)nc12 101350524 PBVYSLCTUKQKSV-VBKFSLOCSA-N 361.426 3.506 0 40 FHAB CCN1CCC[C@@H]1CN1CC(O)=C(c2nc(-c3ccccc3)cs2)C1=N 102732970 PICVJRZEIJBKCI-OAHLLOKOSA-N 368.506 3.856 0 40 FHAB Cn1cc([C@H](NC(=O)N2CCCC(C)(C)CC2)c2ccc(F)cc2)cn1 185993838 DQWFLTFJBWENIY-GOSISDBHSA-N 358.461 3.870 0 40 FHAB COC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc2c1CCCC2 222768989 HVAYUQGFLFKVHG-AWEZNQCLSA-N 353.418 3.758 0 40 FHAB COc1cc(CNC(=O)COc2ccc(C)cc2C)ccc1OC(C)C 222825754 CGAPDKMTYIMTOP-UHFFFAOYSA-N 357.450 3.794 0 40 FHAB COc1ccc2cc(S(=O)(=O)Nc3ccc(NC(C)=O)cc3)ccc2c1 223082833 NGDSDFVKZPULQH-UHFFFAOYSA-N 370.430 3.608 0 40 FHAB Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc(Cl)cc3)s2)cc1 223158825 AOYAWWSPHDFDHW-UHFFFAOYSA-N 365.867 3.968 0 40 FHAB CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224795662 VRHVWQRMUCIYGA-UHFFFAOYSA-N 355.843 3.572 0 40 FHAB CCOC(=O)c1cc(N(CC)S(=O)(=O)c2cccs2)ccc1Cl 225141975 JODOEUYILKTXBE-UHFFFAOYSA-N 373.883 3.793 0 40 FHAB O=S(=O)(c1ccc(Cl)cc1)[C@H]1[C@@H](CO)[C@@H]1c1cccc(Cl)c1 225664663 KAANBJQCTHHYLY-JYJNAYRXSA-N 357.258 3.542 0 40 FHAB CCOC(=O)c1cccc(NC(=S)N[C@H](C)COc2ccccc2)c1C 225783500 CNIDPEOQABSCCG-CQSZACIVSA-N 372.490 3.926 0 40 FHAB CCOc1ccc(NC(=O)C2(C)COC(c3ccc(F)cc3)OC2)cc1 225919590 CBDABTXPGXYIJP-UHFFFAOYSA-N 359.397 3.915 0 40 FHAB Cc1ncc2c(n1)[C@@]1(CCN(Cc3ccc(C(C)(C)C)cc3)C1)COC2 248192750 MMLLWKAZPNHEDR-JOCHJYFZSA-N 351.494 3.756 0 40 FHAB CC(C)N1CC[C@@H](c2ccnc(Nc3cc(C(F)(F)F)ccn3)n2)C1 257302909 SEYBDRLQGKSHJD-GFCCVEGCSA-N 351.376 3.832 0 40 FHAB CC(C)(C)CNc1cc(-c2c[nH]nc2[C@@H]2CCN(C(=O)C3CC3)C2)ccn1 257341624 ZLDHIZCMSYMEEB-MRXNPFEDSA-N 367.497 3.656 0 40 FHAB Fc1ccc(CN2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cc1 306132422 LIDAXTKCRXMPSD-LJQANCHMSA-N 373.435 3.920 0 40 FHAB O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2CN(Cc3ccco3)C[C@H]21 306143537 YFBHLAYSUFOAED-IEBWSBKVSA-N 371.483 3.763 0 40 FHAB COC(=O)Cn1cc(/C=C2\SC(=O)N(CC(C)C)C2=O)c2ccccc21 409140255 QLWRYNPCGJBRJG-PXNMLYILSA-N 372.446 3.507 0 40 FHAB COc1cc2c(cc1OC)[C@@H](NC(=O)c1ccc3c(ccn3C)c1)CC2 524733137 YIENGPGFEIHGRV-KRWDZBQOSA-N 350.418 3.613 0 40 FHAB CC1(C)CN(Cc2ccc(C(=O)O)cc2F)C[C@@H](COc2ccccc2)O1 563454561 FSMNEZNJRHYDNS-SFHVURJKSA-N 373.424 3.582 0 40 FHAB O=C(NCC[C@@H](CCO)c1cccs1)c1ccc(OC(F)(F)F)cc1 575620019 HPFLDKZGWKAXOM-LBPRGKRZSA-N 373.396 3.933 0 40 FHAB O=C(NCCc1c[nH]c2c(Cl)cccc12)c1cc(O)nc(C2CC2)c1 629881959 XYTUUDAWFXINHV-UHFFFAOYSA-N 355.825 3.772 0 40 FHAB COc1c(Cl)cc(Cl)cc1CN1C[C@H](OC)C[C@H]1c1ncc[nH]1 643773115 FOAVSANCCFSNJK-OCCSQVGLSA-N 356.253 3.687 0 40 FHAB COc1cc(NC(=O)N2C[C@H](C)OC3(CCCCC3)C2)c(C)c(OC)c1 654064243 OFZWYMYAKAKWEI-AWEZNQCLSA-N 362.470 3.968 0 40 FHAB C=CC(=O)Nc1cccc(C(=O)N2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1 1159567629 ZXFIRAZIEBHFBB-GOSISDBHSA-N 370.836 3.758 0 40 FHAB Cc1cc(C)cc(NC(=O)Nc2ccc(OCCN3CCOCC3)cc2)c1 1202848694 DEWVRMSXFBGLRQ-UHFFFAOYSA-N 369.465 3.658 0 40 FHAB Cc1cc(CN2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)no1 1206818788 GAVQXZFVAXIUIZ-UHFFFAOYSA-N 356.344 3.925 0 40 FHAB Cc1ccc([C@@H](Cn2ccnc2)NCc2cnc3c(C)cccn23)c(C)c1 1662017971 KOEXDPXNGVHFPG-OAQYLSRUSA-N 359.477 3.987 0 40 FHAB CC(C)(C)NC(=O)[C@H]1CCN(c2ccnc3cc(C(F)(F)F)ccc23)C1 1889128330 ZXDBWMAJGCIFCQ-LBPRGKRZSA-N 365.399 3.995 0 40 FHAB CCc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 5878762 JHBYLDREZCNBOV-UHFFFAOYSA-N 374.396 3.891 0 40 FHAB CCn1ccc(=O)c(NC(=O)CCCOc2cccc(Cl)c2Cl)c1 89309932 CZUKLIQLCSRBST-UHFFFAOYSA-N 369.248 3.973 0 40 FHAB C[C@H]1CN(c2ccc(NC(=O)OCC(F)(F)F)cc2F)C[C@H](C)O1 40158831 WZBWMFIICCROCS-UWVGGRQHSA-N 350.312 3.550 0 40 FHAB in-vitro Cc1cc2cc3c(cc2nc1SCC(=O)NCc1cccs1)OCO3 930052 ZTPHWZLFSLKXMR-UHFFFAOYSA-N 372.471 3.742 0 40 FHAB CCN(Cc1ccccc1)C(=O)Nc1cccc(CN2CCCC2=O)c1 40104949 FXEHKIHJOQLMQA-UHFFFAOYSA-N 351.450 3.863 0 40 FHAB C[C@@H]1CN1C(=O)Nc1ccc(Cc2ccc(NC(=O)N3C[C@H]3C)cc2)cc1 4722655 HBAVTFLDZROSFF-GIIQFKMGSA-N 364.449 3.749 0 40 FHAB CCOc1cc(C(=O)O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 6350939 JOMKGWGQQDWNMP-UHFFFAOYSA-N 367.760 3.594 0 40 FHAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccco2)cc1 6630423 TWKRPWRFSYUGCD-UHFFFAOYSA-N 350.374 3.698 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1 7382431 JUTLIMHUIWSBNM-QGZVFWFLSA-N 356.441 3.559 0 40 FHAB COc1ccc2nc(NC(=O)CC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)sc2c1 101728860 IJNAKHWQAHMDEP-CJKMCJCZSA-N 372.490 3.965 0 40 FHAB O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2Oc1ccc(Cl)cc1 32603959 RYKADMJZFQFXMZ-MRXNPFEDSA-N 360.841 3.762 0 40 FHAB CCOc1cccc(/C=C2\NC(=S)N(c3ccc(C)cc3C)C2=O)c1O 9335929 KYOLSBMJMYEFRW-PTNGSMBKSA-N 368.458 3.670 0 40 FHAB CCN1CCN(c2ncnc3cc(-c4ccc(OC)cc4)sc23)CC1 9364187 PHRBCIQVBXQAAA-UHFFFAOYSA-N 354.479 3.509 0 40 FHAB Cc1cccc(Cc2cnc(NC(=O)[C@@H]3Cc4ccccc4O3)s2)c1 9575736 MRLZXPXBRCLICL-SFHVURJKSA-N 350.443 3.985 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)N2C[C@@H](C)O[C@H](C)C2)c1 32799586 TUBNICCBRGFMGQ-ZOCZFRKYSA-N 366.461 3.678 0 40 FHAB O=C(OCc1c(F)c(F)c(F)c(F)c1F)c1cc(O)nc2ccccc12 11462184 CWSQMHNKQFIQBN-UHFFFAOYSA-N 369.245 3.993 0 40 FHAB COc1cc(C(=O)OCc2ccccc2F)cc(OC)c1Br 21628063 GXRPROOLMNBYKE-UHFFFAOYSA-N 369.186 3.962 0 40 FHAB Cc1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cc1NS(C)(=O)=O 29107357 NNHJDXHJIAPFAY-LJQANCHMSA-N 374.506 3.884 0 40 FHAB O=C(NCCCCc1ccccc1)NCc1ccnc(N2CCCC2)c1 29334108 MVSBYELTISMQRD-UHFFFAOYSA-N 352.482 3.504 0 40 FHAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)Nc1cccc2ncccc12 32902327 VFNGLGDSNWTRCL-UHFFFAOYSA-N 367.459 3.856 0 40 FHAB O=C(Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)c1ccccc1 32913560 SGEFTRKLSJQBQN-UHFFFAOYSA-N 370.274 3.708 0 40 FHAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)[C@H]1CCCO1 32900598 NHLBMBOJGKPFJO-HNAYVOBHSA-N 352.434 3.637 0 40 FHAB CCc1ccc(NC(=O)[C@H](C)Nc2cccc(N3CCCC3=O)c2)cc1 25701719 LVWMLPLWYOOQTL-HNNXBMFYSA-N 351.450 3.815 0 40 FHAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc(-c2ccccc2)on1 11905194 YHBPFSLYJPTCCC-HXUWFJFHSA-N 361.445 3.909 0 40 FHAB Cc1cc(C)c(S(=O)(=O)NCc2ccccc2-n2ccnc2C)c(C)c1 20111034 PONHQZSPSUSOIG-UHFFFAOYSA-N 369.490 3.584 0 40 FHAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1CCCc2ccccc21 17280103 HAMKEISAYPNQBF-CYBMUJFWSA-N 368.506 3.950 0 40 FHAB CC(=O)Nc1ccc2nc(NC(=O)CCC(=O)c3cccs3)sc2c1 22501664 YYAPDLONMYHSDB-UHFFFAOYSA-N 373.459 3.918 0 40 FHAB COc1ccc(C(=O)Nc2cc(C(=O)NCC(C)C)ccc2Cl)cc1 1006635 FXMSLNMVLXNHPP-UHFFFAOYSA-N 360.841 3.987 0 40 FHAB Cc1nccn1-c1ccc(CNC(=O)CSCc2ccc(F)cc2)cc1 20045568 LXOMCSXELFAWIZ-UHFFFAOYSA-N 369.465 3.869 0 40 FHAB CC1(C)Cc2c(sc3ncn4nc(COc5ccccc5)nc4c23)CO1 1305891 UOEULDCKBZPTDZ-UHFFFAOYSA-N 366.446 3.769 0 40 FHAB CC(=O)CCc1ccc(Oc2cc(-n3nc(C)cc3C)nc(C)n2)cc1 12323227 LZLPOTRFWUOJHN-UHFFFAOYSA-N 350.422 3.901 0 40 FHAB O=C(c1cccnc1)N1CCc2[nH]c3c(Br)cccc3c2C1 55730976 XIQJWUSSCQYSDM-UHFFFAOYSA-N 356.223 3.524 0 40 FHAB Cc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)c3cnoc3C)cc2)o1 57236280 ZCLMBDHJPHCMAO-MDZDMXLPSA-N 351.362 3.789 0 40 FHAB CCCCc1nc2ccccc2n1CCS(=O)(=O)Oc1ccccc1 23296062 CMXFKXGNCHYLTG-UHFFFAOYSA-N 358.463 3.788 0 40 FHAB COc1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1OC 3133759 RWWJPJWFHCLWHM-UHFFFAOYSA-N 351.855 3.879 0 40 FHAB Cc1cccc(C(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)c1C 27126948 SQHXYLBBDSDWDO-INIZCTEOSA-N 362.433 3.952 0 40 FHAB CC(C)c1ccc(S(=O)(=O)Nc2ccn(Cc3cccc(F)c3)n2)cc1 27916671 BPEBWADNDSEUNC-UHFFFAOYSA-N 373.453 3.995 0 40 FHAB O=C(Nc1ccccn1)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 12555447 ZGNCKLUCEKSQKZ-UHFFFAOYSA-N 350.397 3.928 0 40 FHAB Cc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c(C)cc1Br 27824104 RNZAVOPWXKJEMT-QWRGUYRKSA-N 360.317 3.733 0 40 FHAB O=C(NCC1CCCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 12602073 ZGPFHFUXJJYTAI-UHFFFAOYSA-N 362.901 3.889 0 40 FHAB O=C(/C=C/c1ccc(F)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12793388 KHZWKMNKRUQCIC-YPHWWSSASA-N 353.393 3.974 0 40 FHAB CN(C)C(=O)[C@@H](OC(=O)c1[nH]c2ccccc2c1Cl)c1ccccc1 48375498 BAGIEOFKMVHUBK-KRWDZBQOSA-N 356.809 3.808 0 40 FHAB C[C@H](NC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 12867706 ZQMVRCPMBXRFEE-INIZCTEOSA-N 351.450 3.808 0 40 FHAB COc1ccc(CCCN(C)C(=O)c2ccc3ccccc3n2)cc1OC 12887714 AEIQMYCNTSSUGQ-UHFFFAOYSA-N 364.445 3.957 0 40 FHAB CN(C)[C@@H](CNC(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 3437587 ZMHWYGWVWWUMJD-KRWDZBQOSA-N 351.277 3.955 0 40 FHAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccccc2)o1 3497233 OBTRBGXDFJJRBG-UHFFFAOYSA-N 355.419 3.784 0 40 FHAB CC(C)CNc1nc(-c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cs1 7273848 QXCHJMRUARXHIN-GFCCVEGCSA-N 365.524 3.589 0 40 FHAB Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1 3461893 GLFFGVXXIFXFSU-UHFFFAOYSA-N 366.373 3.851 0 40 FHAB CC1CCN(C(=O)CN2C(=O)S/C(=C/C=C\c3ccccc3)C2=O)CC1 409305829 XNIPAWJXJJGKBI-ZOTODKCHSA-N 370.474 3.538 0 40 FHAB CC[C@@H](NC(=O)Cc1c(C)n[nH]c1C)c1ccc(Br)cc1 8337682 VXHKKMBUZWJPDL-OAHLLOKOSA-N 350.260 3.599 0 40 FHAB Cn1ncc2c(Nc3ccc(F)cc3)nc(NCCc3ccccc3)nc21 15682345 IUKFDLPQYBKFJE-UHFFFAOYSA-N 362.412 3.901 0 40 FHAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(=O)n3c(nc2c1)CCC3 15631540 RBJPTRAGKWERPX-UHFFFAOYSA-N 374.227 3.902 0 40 FHAB C[C@H](NC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1)C12CC3CC(CC(C3)C1)C2 7397932 AMWZFBDFFJRBKR-UGGUVPCJSA-N 367.489 3.879 0 40 FHAB COCCCn1c(SCc2ccc(-c3ccccc3)cc2)n[nH]c1=O 7348716 RUINRQZVMZZATJ-UHFFFAOYSA-N 355.463 3.567 0 40 FHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)Nc1ccc4ccccc4n1)(C3)C2 49082243 QJROETIKWFEPIP-MBWAJUJLSA-N 363.461 3.648 0 40 FHAB Cc1noc(C2(NC(=O)c3ccc(Br)cc3)CCCCC2)n1 65257828 PMCYFRIHCFHDFQ-UHFFFAOYSA-N 364.243 3.730 0 40 FHAB Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1ccccc1Cc1ccccc1 7738436 MQSCAVSPYHGSEI-UHFFFAOYSA-N 359.385 3.668 0 40 FHAB O=C(NCCc1nc2ccccc2n1Cc1ccccc1F)c1ccco1 4386807 RWRFYVSGLGMJAM-UHFFFAOYSA-N 363.392 3.789 0 40 FHAB c1cncc(CN2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 306137933 RKGNRFLJMRVDNS-HXUWFJFHSA-N 370.460 3.566 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)n[nH]2)c1 5209439 NAQHBFLHFIVSFE-ZDUSSCGKSA-N 366.446 3.794 0 40 FHAB CCC(C)(C)C1CCC(NC(=O)Cn2cnc3sccc3c2=O)CC1 14016169 KJCHVUBCMKTKCE-UHFFFAOYSA-N 361.511 3.569 0 40 FHAB CC(C)(C)c1ccc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cc1 14121706 ZJZSOCMMFGCIEM-UHFFFAOYSA-N 371.481 3.567 0 40 FHAB O=c1oc(-c2ccc(F)cc2)nn1Cc1csc(-c2ccsc2)n1 14250959 IIZQOHUUEQRLSG-UHFFFAOYSA-N 359.407 3.876 0 40 FHAB COc1cc2c(cc1OC)[C@@H](C)N(CC(=O)Nc1ccc(C)c(C)c1)CC2 5450779 ASWJAALUTIYYKY-MRXNPFEDSA-N 368.477 3.878 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)COc1cccc2ccc(C)nc12 14339493 JSQAHMQRFMHCDG-OAHLLOKOSA-N 350.418 3.808 0 40 FHAB O=C(CCC(=O)N1CCCC1)Nc1ccc(OCc2ccccc2)cc1 4672353 GECUPXFHDRANPV-UHFFFAOYSA-N 352.434 3.607 0 40 FHAB CC(C)[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1nc2ccccc2[nH]1 6604652 XKDXVXXSWLFBPW-ACJLOTCBSA-N 355.413 3.983 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 14729126 DBSAHJWNINDNRX-UHFFFAOYSA-N 369.490 3.748 0 40 FHAB COc1ccc(Cc2nnc3sc(CCc4ccccc4)nn23)cc1 6756133 YGPZYVXVMBDCFM-UHFFFAOYSA-N 350.447 3.570 0 40 FHAB CC[C@H]1CCc2sc(C(=O)OCN3C(=O)c4ccccc4C3=O)cc2C1 6784937 UUZJUNNUGJUZDE-LBPRGKRZSA-N 369.442 3.674 0 40 FHAB Cc1cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)nc(C(C)C)n1 17744073 NPINCIJHTSQYAO-UHFFFAOYSA-N 373.888 3.916 0 40 FHAB Cc1nc(COc2ccc(CN3CCN(C)C[C@@H]3C(C)C)cc2)cs1 96003692 KFMPBRJAUNHGES-HXUWFJFHSA-N 359.539 3.803 0 40 FHAB Cc1cc2ncn(C[C@H](NC(=O)[C@H]3C[C@@H]3c3cccnc3)C3CC3)c2cc1C 75106640 KQNLUGSTSYPOAT-DYXWJJEUSA-N 374.488 3.747 0 40 FHAB CC[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc(OC)cc1 21836406 RCSXRROBJDIKDA-UTGRISEESA-N 355.434 3.993 0 40 FHAB COC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c(C)c1 95349929 FEASXZXPJYUKRU-UHFFFAOYSA-N 363.417 3.836 0 40 FHAB CCCOC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cccn2C)cc1 84756687 MOHTVZUOYJSPNG-GOSISDBHSA-N 355.438 3.961 0 40 FHAB COc1ccc(C2(NC(=O)c3ccc(NC(C)=O)cc3)CCCC2)cc1 84774063 NUFUNIRCFFPABT-UHFFFAOYSA-N 352.434 3.853 0 40 FHAB CC(C)(C)OC(=O)N1CCC2(CC[C@H](COCc3ccccc3)N2)CC1 95829414 IBPUOPZDGOEOMN-GOSISDBHSA-N 360.498 3.725 0 40 FHAB COc1ccc2c(c1)C[C@@H](C(=O)N1CCCCC[C@@H]1c1ccncc1)CO2 78933461 YFBLCAZVSPATKP-UYAOXDASSA-N 366.461 3.785 0 40 FHAB O=C(NC1CCCCC1)c1ccc2c(c1)nc1n2CCN(C2CCCC2)C1 23411573 SGBNJSAPOUAPIE-UHFFFAOYSA-N 366.509 3.857 0 40 FHAB CCC1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)CC1 408706756 DEVTXOSGHODCAY-LXPRWKDFSA-N 372.509 3.912 0 40 FHAB COc1ccc([C@@H](NC(=O)CC2(n3cccc3)CCOCC2)C(C)C)cc1 524729241 KXLUMZRPHWUGBK-NRFANRHFSA-N 370.493 3.906 0 40 FHAB biogenic CCOc1ccccc1Oc1cnc(N)nc1-c1ccc(OC)cc1O 5576966 UJBYEDYTIDYJBX-UHFFFAOYSA-N 353.378 3.631 0 40 FHAB biogenic CCCCOC(=O)c1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1 32649081 ZJLAJCYQSQEAON-UHFFFAOYSA-N 364.401 3.737 0 40 FHAB CCOc1cc(/C=C/C(=O)N[C@H](C)c2nc3ccccc3[nH]2)ccc1OC 32738315 CLUXQZRERSTJNH-IEZBTEQYSA-N 365.433 3.861 0 40 FHAB Cc1ccc(C)c(NC(=O)CNC(=O)Cc2coc3cc(C)c(C)cc23)c1 72427613 RBOOHJUQKUUQRF-UHFFFAOYSA-N 364.445 3.964 0 40 FHAB O=C(NCc1c(Cl)cccc1-n1ccnc1)OCCc1ccccc1 1561594197 LRDURHCEFGYBLU-UHFFFAOYSA-N 355.825 3.995 0 40 FHAB Cc1nc(N2CCOCC2)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72219653 WVBJEMJUYMPBPJ-KRWDZBQOSA-N 361.486 3.689 0 40 FHAB Cc1cccc(Nc2nc(C(=O)NCc3ccc(F)cc3F)cs2)n1 62022570 QAYNXSBWXDVJSE-UHFFFAOYSA-N 360.389 3.798 0 40 FHAB COc1ccc(CC(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1 224283279 JHFSOYNZJZLWLV-UHFFFAOYSA-N 353.353 3.598 0 40 FHAB CCOc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1Cl 223238018 SCFXWJZPDOCGFK-UHFFFAOYSA-N 362.832 3.840 0 40 FHAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)c1 225280539 BUSRFBBFVDCZSZ-DLBZAZTESA-N 369.461 3.842 0 40 FHAB CC(C)Oc1ccccc1C(=O)NCc1ccc(CN2CCCC2)cc1 224506643 BGRBATVRXWFXNC-UHFFFAOYSA-N 352.478 4.000 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)COc2ccccc2C(C)(C)C)cc1 222797057 OQGOBAMCNWDADQ-MRXNPFEDSA-N 371.477 3.955 0 40 FHAB COc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3C)no2)cc1Cl 225882249 GLTMQWLESBJNJP-UHFFFAOYSA-N 371.824 3.979 0 40 FHAB C[C@@H]1CN(C(=O)Nc2cccnc2-c2ccccc2)C[C@]2(CCO[C@@H]2C)O1 333371525 ZOSBJJJRRIMVBU-ZOCZFRKYSA-N 367.449 3.549 0 40 FHAB CCC(=O)N1CCC2(CC1)C[C@@H](CC(=O)N(CC)CC)c1ccccc1O2 96243274 SBSXICBZAWGWBS-QGZVFWFLSA-N 372.509 3.582 0 40 FHAB CC[C@@H](C)[C@H](CO)NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1Cl 230211754 UMFHBWPJSNOYRN-OTYXRUKQSA-N 356.253 3.520 0 40 FHAB CCc1oc2ccccc2c1CC(=O)NC[C@H]1CCCn2cc(C)nc21 528885686 WAAQIKMRJQXSKH-OAHLLOKOSA-N 351.450 3.736 0 40 FHAB OCC[C@H]1CCCCCN1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 585081329 FIKMHSKOCFOPIT-OAHLLOKOSA-N 369.387 3.882 0 40 FHAB Clc1ccccc1Cc1cccc([C@H]2CN(Cc3ncc[nH]3)CCO2)n1 257272419 NCIMMEFRADRUCQ-LJQANCHMSA-N 368.868 3.622 0 40 FHAB CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CCN1C(=O)c1cnco1 647054249 PDEHNQSFANBIJY-KRWDZBQOSA-N 361.873 3.701 0 40 FHAB Cc1ccc(-c2nc(C)c(C(=O)N3CCCC[C@H]3c3ncon3)s2)o1 89656163 QAUKGBKPRCSUTL-LBPRGKRZSA-N 358.423 3.770 0 40 FHAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)C(=O)c1ccccc1-2 11605054 ZNPNUDIPGYTXCI-UHFFFAOYSA-N 357.365 3.922 0 40 FHAB Cc1cc(C(=O)N2CCC[C@@H](c3ncncc3-c3ccncc3)C2)c(C)[nH]1 12117202 HCTFLSDTBKJEMO-QGZVFWFLSA-N 361.449 3.503 0 40 FHAB O=C1C[C@@H](C(=O)Nc2cccc3ccccc23)n2c(nc3ccccc32)N1 17073575 BDTZVJBJCMJJRH-SFHVURJKSA-N 356.385 3.712 0 40 FHAB O=C(Cc1csc(N2CCCC2=O)n1)Oc1ccc(Cl)c(Cl)c1 18078574 CNCAMFSRNATDON-UHFFFAOYSA-N 371.245 3.725 0 40 FHAB Cc1cccc(C)c1OCC(=O)N1CCC(c2cc3ncccc3[nH]2)CC1 19236034 GNFFWEHJTUAQNT-UHFFFAOYSA-N 363.461 3.965 0 40 FHAB O=C(NC1CC1)c1cc([C@@H]2CCCN(Cc3cccc(Cl)c3)C2)no1 19293405 VFTOTJPRLXVFMO-CQSZACIVSA-N 359.857 3.600 0 40 FHAB COc1cccc([C@H](C(=O)O)N2CC[C@H](Oc3ccccc3Cl)C2)c1 634691691 MNSMBQIODOKYFI-MAUKXSAKSA-N 361.825 3.628 0 40 FHAB Cc1ccc(C)c(-n2nnnc2SCC(=O)c2ccc(F)c(F)c2)c1 3292976 XYBRMUSQMQFVQP-UHFFFAOYSA-N 360.389 3.532 0 40 FHAB CCOC(=O)N1CCC[C@@H](C(=O)N(C)Cc2ccc3ccccc3c2)C1 23082076 XICIRDGEYUIQAI-LJQANCHMSA-N 354.450 3.667 0 40 FHAB Cc1cc(OC[C@]2(O)COCCN(C3CCC(C)(C)CC3)C2)ccc1F 2037946885 ODTSEUIYEPJUOQ-OAQYLSRUSA-N 365.489 3.545 0 40 FHAB COc1cccc2cc(S(=O)(=O)c3ccc(C(C)C)cc3)c(=O)oc12 2686658 PDGFJIGLFACCPE-UHFFFAOYSA-N 358.415 3.758 0 40 FHAB COc1cccc(-c2cn3c(C(=O)Nc4ccncc4)csc3n2)c1 11902281 JQZRAXCLSQKYOX-UHFFFAOYSA-N 350.403 3.719 0 40 FHAB c1cnc(OC[C@H]2CCCN(Cc3csc(C4CCCC4)n3)C2)cn1 2298192563 PPIKKTKYHMXWAC-HNNXBMFYSA-N 358.511 3.882 0 40 FHAB Cc1cc(C)c(OCC(=O)Nc2ccc(NC(=O)C3CC3)cc2)c(C)c1 10926445 YIPFIPDDVYNBMS-UHFFFAOYSA-N 352.434 3.978 0 40 FHAB CCOc1ccc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1OC 15951127 BIGCOBAWTFUIED-UHFFFAOYSA-N 353.374 3.761 0 40 FHAB Cc1cccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)c1 872868 CAZBDXZPANSRCH-UHFFFAOYSA-N 373.503 3.651 0 40 FHAB COc1ccc(N(CC(=O)NC2CCCC2)C(=O)c2ccc(C)s2)cc1 1330214 XQJJGIOTWOCSRA-UHFFFAOYSA-N 372.490 3.771 0 40 FHAB COc1cccc(OC)c1C(=O)Nc1nnc(-c2ccc(F)cc2)s1 1356129 NIELLPWNUAZBGO-UHFFFAOYSA-N 359.382 3.614 0 40 FHAB COc1ccc([C@@H]2CCCCC[C@@H]2SCC(=O)O)c(OC)c1OC 1751512 ATSFFHQJSIKTHL-WFASDCNBSA-N 354.468 3.947 0 40 FHAB O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(F)cc1 6885821 BQOSDXGZLAEUKS-UHFFFAOYSA-N 360.344 3.879 0 40 FHAB Cc1ccc(NC(=O)Cc2cccc(O)c2)cc1NC(=O)c1ccncc1 101660396 SZZZPRNQGUZENF-UHFFFAOYSA-N 361.401 3.529 0 40 FHAB Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccc(C)c(C)c2)c1 2410015 ZFJQGTUOPNMMCU-UHFFFAOYSA-N 373.456 3.620 0 40 FHAB CCCOc1ccccc1NC(=O)CNc1ccc2c(C)cc(=O)oc2c1 102517089 CBNBEVCUMZZWND-UHFFFAOYSA-N 366.417 3.941 0 40 FHAB O=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 2658457 VRYFFGIZMQHLBR-UHFFFAOYSA-N 374.396 3.598 0 40 FHAB O=C(NCC1CCN(Cc2ccco2)CC1)c1ccccc1C(F)(F)F 23128015 VVLPKDLGHDQZAY-UHFFFAOYSA-N 366.383 3.940 0 40 FHAB CCOC(=O)c1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)[C@@H](C)C2=O)cc1 103441992 AAVCOXQQMAGJPK-BEFAXECRSA-N 365.429 3.540 0 40 FHAB COCCCN1COc2ccc3c(=O)c(-c4ccc(F)cc4)coc3c2C1 54313656 SUPOFWCUFPFYCC-UHFFFAOYSA-N 369.392 3.788 0 40 FHAB biogenic CN(C)c1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cn1 22419603 YXCDHVXSCIZQFS-UHFFFAOYSA-N 366.446 3.714 0 40 FHAB Cc1cc(NC(=O)CN(C)C(=O)c2cc(C)n(C3CCCCC3)c2C)no1 53761413 WOLBTIFDXMRWII-UHFFFAOYSA-N 372.469 3.617 0 40 FHAB O=C(c1cccc(Cl)c1)N1N=C(C(F)(F)F)C[C@@]1(O)c1ccccc1 59488930 GLKIQYSZKBZBRP-MRXNPFEDSA-N 368.742 3.950 0 40 FHAB Cc1nn(C)c2sc(C(=O)N[C@@H](c3ccccc3)c3ccccn3)cc12 54671062 KGIAJVKNDXMVBG-SFHVURJKSA-N 362.458 3.858 0 40 FHAB Cc1sc2c(c1C)CN(Cc1ccncc1)CN2C(=O)c1ccco1 20192545 XVIRJCHXURZDMW-UHFFFAOYSA-N 353.447 3.973 0 40 FHAB O=C(NCCCOc1ccccc1F)c1cccnc1SC(F)F 12392165 MBAUPLUDLDLQAB-UHFFFAOYSA-N 356.369 3.734 0 40 FHAB CCCC(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1 1312090 RBLAQSWBLNKNND-UHFFFAOYSA-N 359.417 3.919 0 40 FHAB CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1cc(C)c(C(=O)O)s1 55679619 BZPKCYRBMMWWPC-UHFFFAOYSA-N 353.465 3.587 0 40 FHAB COc1ccc(OCCN2CCN(c3nc4ccccc4s3)CC2)cc1 25369766 PEFURVVBHGURMZ-UHFFFAOYSA-N 369.490 3.506 0 40 FHAB O=C([C@H]1C[C@H]1c1ccccc1)N1CCN(Cc2ccccc2Cl)CC1 27924417 JKHIEEJUWLBWRF-OALUTQOASA-N 354.881 3.788 0 40 FHAB CC[C@H](C(=O)N1CCC(NC(=O)C[C@H](C)C2CC2)CC1)c1ccccc1 58357236 IEMLVULFBLKGTP-JXFKEZNVSA-N 356.510 3.724 0 40 FHAB COc1ccc(CC(=O)NCCc2ccc(Br)s2)cc1F 22994427 WFUOGVXEFQTZLM-UHFFFAOYSA-N 372.259 3.560 0 40 FHAB O=C(COC(=O)Cc1ccsc1)NC(c1ccccc1)c1ccccc1 3219263 WMKHIKPPAOZABH-UHFFFAOYSA-N 365.454 3.740 0 40 FHAB C[S@](=O)c1ccc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1 10884771 HDKUUUCQKDUOSP-AREMUKBSSA-N 366.486 3.925 0 40 FHAB O=C(C[C@H]1C=CCC1)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 8050213 AWROGRPJABMTIZ-AWEZNQCLSA-N 374.437 3.921 0 40 FHAB O=C(OCc1noc(-c2ccsc2)n1)c1ccc(-n2cccc2)cc1 23007000 BHPIXGOVEGCLNV-UHFFFAOYSA-N 351.387 3.946 0 40 FHAB CCSc1ccccc1NS(=O)(=O)c1cc(C)c(C(=O)O)s1 48382779 DOUCIPXMEVEQPK-UHFFFAOYSA-N 357.478 3.668 0 40 FHAB COc1ccc(-c2cc(=O)n3nc(C)c(-c4ccc(OC)cc4)c3[nH]2)cc1 18222286 VPNMUBBZHPZCHM-UHFFFAOYSA-N 361.401 3.682 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc2sc3ccccc3n12 3495613 TUHNEKVVRFOHIP-NWDGAFQWSA-N 360.508 3.731 0 40 FHAB Cc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)o1 3431581 ORDJSVCMGPGSMC-PORFMDCZSA-N 369.204 3.873 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nncn2-c2ccccc2)c1 3452602 QDSGNOCEOQLCNP-AWEZNQCLSA-N 366.446 3.589 0 40 FHAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(Cl)cc1 3512389 DIOFDTXPYZBFRI-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB Cc1nc(-c2ccc(CNc3nnnn3-c3ccccc3)s2)cs1 12918887 DINFEYQGPQCDJA-UHFFFAOYSA-N 354.464 3.768 0 40 FHAB COc1ccc([C@H]2[C@H](C(=O)O)CCC(=O)N2c2ccc(C)cc2)cc1OC 3888150 KZRIPBOEXHKWGY-UZLBHIALSA-N 369.417 3.581 0 40 FHAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1cc2c(s1)CCC2 8278220 XMVIOHHPHOZJCR-UHFFFAOYSA-N 363.866 3.982 0 40 FHAB COc1ccc(C(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC 5126922 DUNFBEDQOMZOFB-UHFFFAOYSA-N 358.434 3.646 0 40 FHAB Nc1n[nH]c2nc(Nc3ccccc3)c3c(c12)CCN(C1CCCCC1)C3 5207650 NDHXKRVDYQGKOP-UHFFFAOYSA-N 362.481 3.975 0 40 FHAB O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCc2sccc2C1 65513944 KIDAXZSOYVGJDP-QGZVFWFLSA-N 358.482 3.684 0 40 FHAB O=C(CSc1c(Cl)cccc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1 14182631 ZXYOIDKHBXTYPN-UHFFFAOYSA-N 368.245 3.894 0 40 FHAB C[C@H](NCc1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)ccc1Cl 14254280 BQTUGBMVHLJYBB-JTQLQIEISA-N 367.232 3.839 0 40 FHAB Cc1ccc(CSc2nc3c(c(N4CCN(C)CC4)n2)CCCC3)cc1 5541233 JDHXXRFYFFMOCH-UHFFFAOYSA-N 368.550 3.708 0 40 FHAB CCCc1cc(=O)oc2c(C)c(OCC(=O)Nc3nccs3)ccc12 6661839 XAJRKEXTTWPNQE-UHFFFAOYSA-N 358.419 3.528 0 40 FHAB COc1ccc(NC(=S)NC(=O)COc2ccc(Cl)cc2C)cc1 4747009 JOUXJTDDGZPIBF-UHFFFAOYSA-N 364.854 3.549 0 40 FHAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1cccc2ccc(C)nc12 4820001 CXMIKJHUDMQRHY-LJQANCHMSA-N 350.374 3.842 0 40 FHAB Cc1ccc(S[C@H](C)C(=O)NCc2ccccc2-n2ccnc2)cc1 20494535 JAYPJNABYFPZCT-MRXNPFEDSA-N 351.475 3.978 0 40 FHAB CN(Cc1cccc(F)c1)C(=O)CSc1nnc(Cc2ccccc2)o1 9512421 JSDVDLWDQIMIDD-UHFFFAOYSA-N 371.437 3.550 0 40 FHAB COc1cc(C)c2c(n1)oc1c(=O)n(CCCCc3ccccc3)cnc12 96194183 FEJGRKHFSHJKNK-UHFFFAOYSA-N 363.417 3.878 0 40 FHAB COc1ccc(CN(C)C(=O)CSc2cc(C)nc(C(C)C)n2)cc1 9389769 QCGAFAIIEPHEIF-UHFFFAOYSA-N 359.495 3.668 0 40 FHAB Cc1nc(-c2ccccc2)nc2sc(C(=O)NCc3ccco3)c(N)c12 9305315 YYDMPJDUQOGUKI-UHFFFAOYSA-N 364.430 3.772 0 40 FHAB Cc1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)on1 19894447 FTACCLZLUYNBOJ-UHFFFAOYSA-N 361.445 3.530 0 40 FHAB O=C(NCCc1cccs1)NCc1ccc(COCC(F)(F)F)cc1 9756836 OOGCBOPWSGVBCQ-UHFFFAOYSA-N 372.412 3.869 0 40 FHAB CCc1cc(=O)n2nc(N[C@H](Cc3ccccc3)C(C)(C)C)sc2n1 72286533 XBSHWCHGCGXRAC-OAHLLOKOSA-N 356.495 3.783 0 40 FHAB O=C(Nc1ccc(SC2CCCC2)cc1)C(=O)N1CCCSCC1 95365136 STSYPAXLVNXPRZ-UHFFFAOYSA-N 364.536 3.625 0 40 FHAB Cc1ccc(Cl)cc1S(=O)(=O)NCc1ncoc1-c1ccccc1 79099809 GXLITYWVDMSCAI-UHFFFAOYSA-N 362.838 3.782 0 40 FHAB COc1ccc2nc(C)cc(OCC(=O)N3CCc4sccc4C3)c2c1 95947218 NGUIZQIEVUPPAE-UHFFFAOYSA-N 368.458 3.577 0 40 FHAB CS(=O)(=O)c1cccc(NC(=O)c2cc(F)c(Cl)cc2Cl)c1 9950448 ZWRFKCAVBQXCHL-UHFFFAOYSA-N 362.209 3.788 0 40 FHAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1cc(=O)c2cc(C)ccc2o1 9919176 OLXUVGQCKMVLOG-CQSZACIVSA-N 351.402 3.909 0 40 FHAB COc1ccc(C(=O)Oc2ccc(-c3ccc(F)cc3)nn2)cc1OC 408527545 GAQSFLGNLNRLHH-UHFFFAOYSA-N 354.337 3.519 0 40 FHAB COc1ccc2c(c1)CCCN2C(=O)/C=C/c1ccc2c(c1)OCCCO2 21975750 GNGGEYDNKLNELJ-UXBLZVDNSA-N 365.429 3.849 0 40 FHAB CCn1nc(C)c(CN(C)C(=O)c2ccc(Cc3c(C)noc3C)o2)c1C 32647848 WGWWCYGLBGQUDV-UHFFFAOYSA-N 370.453 3.581 0 40 FHAB Cc1cccc(NC(=O)CCSc2nc3c4ccccc4ncn3n2)c1 32815323 DJSLJHJGNGGPNF-UHFFFAOYSA-N 363.446 3.707 0 40 FHAB O=C(Cn1ccc2ccc(Br)cc21)N1CCc2ccccc2C1 30819263 BREPVNMPVQYCNK-UHFFFAOYSA-N 369.262 3.989 0 40 FHAB CC(C)Cc1ccccc1CNC(=O)N[C@H]1CCC[C@@H](N2CCCC2=O)C1 528043167 LPXCINDCDONUQV-VQTJNVASSA-N 371.525 3.618 0 40 FHAB Cn1nc(C(=O)NCCn2ccc3ccc(Cl)cc32)c2ccccc21 79478016 ZAXHWCZOTVGHFI-UHFFFAOYSA-N 352.825 3.611 0 40 FHAB Cn1cc(CN2CCC[C@@H](c3cncc(-c4cccc(Cl)c4)n3)C2)cn1 72359731 HEESZNLIKPWLML-QGZVFWFLSA-N 367.884 3.910 0 40 FHAB COCC(=O)N1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 72349271 IELLIOAJUJAGBK-INIZCTEOSA-N 358.869 3.678 0 40 FHAB CC(C)c1ccccc1O[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 30850397 PMGGGCCCMJPPSQ-GOSISDBHSA-N 352.478 3.926 0 40 FHAB Cc1cccc(N2CCN([C@H](C)C(=O)N[C@@H](C)c3ccccc3)CC2)c1C 34684888 OMYIVZZQDVTDRA-VQTJNVASSA-N 365.521 3.691 0 40 FHAB COc1ccc(CN(C)C(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1 30946053 LCCIESDORWQESA-FQEVSTJZSA-N 352.478 3.566 0 40 FHAB O[C@H](CSc1ccccc1)CN1CCN(c2ccccc2Cl)CC1 31938430 FRMIMMWRTKNFTH-INIZCTEOSA-N 362.926 3.615 0 40 FHAB Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(Cc3cccnc3)C2)n1 72345954 OEHXYXMMEAGTNM-QGZVFWFLSA-N 363.440 3.640 0 40 FHAB CS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2c2cccc(Cl)c2)o1 520214523 GCUACORKUVVAJC-AWEZNQCLSA-N 367.854 3.704 0 40 FHAB CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1ccccc1C 224371059 YBJFIZHDSCSCGA-LJQANCHMSA-N 369.461 3.882 0 40 FHAB COc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1C 225863034 MWGDNZZYZHOQNW-UHFFFAOYSA-N 371.824 3.979 0 40 FHAB CO[C@@](C)(C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1)C1CC1 225644473 IQEHSDMJHKWJAR-JOCHJYFZSA-N 374.525 3.941 0 40 FHAB COc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(OC)c1C 222564674 PDQQSLDHZUSJBX-JBBXEZCESA-N 369.490 3.997 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 224653645 HWJWLMRZBPLVFB-MRXNPFEDSA-N 372.896 3.826 0 40 FHAB CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 224006592 ZTIJYCSYQLWPOE-UHFFFAOYSA-N 366.870 3.589 0 40 FHAB O=C(N[C@@H]1CCCc2c1[nH]c1ccccc21)[C@@H]1CC(=O)N(c2ccccc2)C1 575443184 NMAJHAUVBWLYGM-FOIQADDNSA-N 373.456 3.715 0 40 FHAB Cc1cc(NC(=O)c2ccc(N=c3cc[nH]cc3)cc2)ccc1-n1ccnc1 1584949310 ZUGZUWCFLSWQGK-UHFFFAOYSA-N 369.428 3.994 0 40 FHAB COc1ccc(CCNC(=O)c2nc(Cl)sc2C(C)C)cc1OC 95473017 ZXPDUUSBBJZSAX-UHFFFAOYSA-N 368.886 3.910 0 40 FHAB O=C(Nc1ccccc1)Nc1ccc2c(ccn2CCN2CCOCC2)c1 523240208 BNTARBQVZGXHLV-UHFFFAOYSA-N 364.449 3.618 0 40 FHAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OC)c(O)c4)OCC[C@@]31C2 257226605 FLIFNSPUHLMYFH-FUBVMCKASA-N 373.493 3.809 0 40 FHAB Cc1cc(-c2cnc(C(C)C)nc2CCNC(=O)C2CCCCC2)on1 12337738 FRXUQEHKOIPNLW-UHFFFAOYSA-N 356.470 3.802 0 40 FHAB COc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1 13494943 MPXHYJWJNGHYPA-NSHDSACASA-N 357.797 3.890 0 40 FHAB O=C1C[C@@H](c2c[nH]c3ccccc23)C(=O)N1c1cccc(Br)c1 13724185 HQQRNTKIGUGJCH-AWEZNQCLSA-N 369.218 3.978 0 40 FHAB C[C@H]1Sc2ccc(C(=O)Nc3ccc(OC(F)F)cc3)cc2NC1=O 15797683 NASFDNGJZCJPBK-SECBINFHSA-N 364.373 3.973 0 40 FHAB CCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(C)cc1OC 19943396 XGWBUXDTKASENA-UHFFFAOYSA-N 353.871 3.868 0 40 FHAB CCc1nnc(S/C(=C\c2cc(C)n(-c3cccnc3)c2C)C(=O)O)o1 7364454 RXRRBOFOBLZUHW-DHDCSXOGSA-N 370.434 3.652 0 40 FHAB O=C(CSc1nnc(Cn2cnc(Cl)c2Cl)o1)c1ccccc1 2142783 XSZCCRCNZZIUBL-UHFFFAOYSA-N 369.233 3.596 0 40 FHAB O=C(N[C@H](C(=O)O)c1ccco1)OCC1c2ccccc2-c2ccccc21 2580853 PCBMJTLDLJORMH-IBGZPJMESA-N 363.369 3.944 0 40 FHAB O=C(CSc1ccc2c(c1)OCCO2)N[C@H]1CCCc2ccccc21 5018469 DDHKHBLIABGDQS-KRWDZBQOSA-N 355.459 3.744 0 40 FHAB Cc1cccc(Oc2ccc(NC(=O)C[C@@H]3CCS(=O)(=O)C3)cc2)c1 7922320 DRMUSIIUFVCRKY-HNNXBMFYSA-N 359.447 3.551 0 40 FHAB C[C@@H](NC(=O)CCC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 27697104 JJJNJTUTEKCZFO-GFCCVEGCSA-N 359.809 3.909 0 40 FHAB Cc1csc(C(=O)N2CCC3(CCN(Cc4cccnc4)CC3)CC2)c1 1565555173 VFLVPQVCUYNPHS-UHFFFAOYSA-N 369.534 3.970 0 40 FHAB COc1ccc(C(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)cc1OC 719802 UCVBZOOQZDFVAE-UHFFFAOYSA-N 374.868 3.628 0 40 FHAB COc1ccc(NC(=O)C2(N(C)C(=O)c3cccnc3)CCCCC2)cc1 4682412 JPTUIOSIAGUVEJ-UHFFFAOYSA-N 367.449 3.504 0 40 FHAB CCOc1ccc(-c2ccc3nnc(SCc4ccccn4)n3n2)cc1 5141883 ZHSKXEREMXZCDC-UHFFFAOYSA-N 363.446 3.877 0 40 FHAB O=C1CCCCN1c1cccc(NS(=O)(=O)c2ccccc2Cl)c1 5330056 CZVBTFMMXCPDRG-UHFFFAOYSA-N 364.854 3.658 0 40 FHAB O=C1CCCCN1c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 5329791 FSLCXSFWLHDMNY-UHFFFAOYSA-N 364.854 3.658 0 40 FHAB CC(=O)N1CCCc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 5373564 OOGCAKSJRZJGNJ-UHFFFAOYSA-N 358.825 3.657 0 40 FHAB C[C@@]1(C(=O)N2CCC[C@]3(CC2)CN(Cc2ccoc2)CCO3)CC=CCC1 2055793273 JLJDBENIXWNJRB-YADHBBJMSA-N 372.509 3.610 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CC(N2C[C@@H]3CCC[C@H]3C2)C1 1775967590 XGQIOBXSXHTWTI-RYUDHWBXSA-N 354.281 3.941 0 40 FHAB Cc1c(Cl)cccc1NC(=O)C1CCN(c2cc3c(nn2)CCC3)CC1 585150617 YOGBYXXJGWKIMS-UHFFFAOYSA-N 370.884 3.782 0 40 FHAB Cc1c(Cl)cccc1-n1nnc(-c2nc(-c3ccccc3F)no2)c1N 5043277 GHAAUXYJYGRVBH-UHFFFAOYSA-N 370.775 3.667 0 40 FHAB CCn1c(=O)n(CCC(=O)Nc2cccc(Cl)c2C)c2ccccc21 10406710 WUKSBIQLPSOKCQ-UHFFFAOYSA-N 357.841 3.814 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1)c1ccccc1 40131612 SFTSJCWQIAAEAL-LJQANCHMSA-N 359.491 3.996 0 40 FHAB CCCOc1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1OC 2302727 HOGVQJFBCVTFPV-WJDWOHSUSA-N 355.365 3.968 0 40 FHAB CCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)NC2CCCCC2)cc1 1379638 AXRMLNDHBCERCY-GOSISDBHSA-N 359.470 3.531 0 40 FHAB O=C(NCCCCCCNC(=O)NC1CCCCC1)NC1CCCCC1 4774880 GVOVGIDQFMFSIQ-UHFFFAOYSA-N 366.550 3.811 0 40 FHAB CC(=O)N[C@@H]1C(=O)N(CCCOc2ccccc2C)c2ccc(Cl)cc21 4993363 FSADGRWXXVTRDN-IBGZPJMESA-N 372.852 3.641 0 40 FHAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(Br)cc3)oc2c1 6305046 VYWQPMDZCLEKPP-UHFFFAOYSA-N 374.194 3.801 0 40 FHAB CCCCCOc1ccc(C(=O)O[C@H](C)C(=O)NCc2ccco2)cc1 6915864 IWWYOKCOFCIITH-OAHLLOKOSA-N 359.422 3.710 0 40 FHAB Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)c3ccc(F)cc3)[nH]n2)cc1 11494365 HMKKOICTDKLOMG-ZDUSSCGKSA-N 352.365 3.952 0 40 FHAB O=C(CN1C(=O)[C@@H]2CCCC2=Nc2ccccc21)N[C@H]1CCc2ccccc21 108892431 LGNMTTKXCKEPOS-MJGOQNOKSA-N 373.456 3.710 0 40 FHAB O=C(COC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)Nc1ccc(SC(F)F)cc1 102190296 JLLWIQCBFKWXRF-MJVIPROJSA-N 353.390 3.695 0 40 FHAB CCn1c(SCc2nnc(-c3cccs3)o2)nnc1-c1ccco1 8039672 VKYWJQWSSOBYPN-UHFFFAOYSA-N 359.436 3.962 0 40 FHAB COc1cc(CNCCCN(C)C)ccc1OCc1ccccc1Cl 8373861 POBQZFOMKQOPDB-UHFFFAOYSA-N 362.901 3.969 0 40 FHAB O=C1C[C@H](c2nc3ccccc3[nH]2)CN1c1cccc(Br)c1 8786486 DLPFCOJVUKNGIN-NSHDSACASA-N 356.223 3.846 0 40 FHAB CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)Nc1nc3c(s1)C[C@@H](C)CC3)[C@H]2C(=O)O 102404909 QMRSLUGJUPOTJO-XHQKLZHNSA-N 374.506 3.900 0 40 FHAB CC(C)(C)c1nc2cc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)ccc2o1 32818757 GEVNNTKIZAKSTE-QGZVFWFLSA-N 364.401 3.846 0 40 FHAB COc1ccc(NC(=O)Cc2ccc(F)cc2)cc1OCc1cccnc1 32832182 WZGAZWVSBJXQPU-UHFFFAOYSA-N 366.392 3.990 0 40 FHAB Cc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(N)[nH]c(=O)c32)cc1 102669234 BUOLHRIAVDYCDA-AWEZNQCLSA-N 350.422 3.511 0 40 FHAB Cc1sc2ncnc(N3CCC(C(=O)NCCC(C)C)CC3)c2c1C 17172552 BQQSTSBQBAUIKL-UHFFFAOYSA-N 360.527 3.687 0 40 FHAB COc1ccc(NC(=O)C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)cc1 41850686 TZFVERSARMENQA-SFHVURJKSA-N 354.450 3.927 0 40 FHAB O=C(/C=C/c1ccc(Br)o1)Nc1ccc(N2CCCC2)nc1 29981952 OTRVJIPDHCXANK-VMPITWQZSA-N 362.227 3.689 0 40 FHAB O=C(Nc1nnc(-c2ccccn2)s1)C1(c2ccc(F)cc2)CCC1 46756447 GQSCOASKAAWFBR-UHFFFAOYSA-N 354.410 3.800 0 40 FHAB COc1ccc(CCNC(=O)c2cc(-c3ccc(C)cc3)on2)cc1OC 815097 XXROZHTWOPGXNZ-UHFFFAOYSA-N 366.417 3.640 0 40 FHAB biogenic CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2C)cc1 812973 WDZZFXOGQUUDSV-UHFFFAOYSA-N 352.463 3.775 0 40 FHAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc2c(s1)CN(C)CC2 23608743 FHYKXYVWMAMESX-UHFFFAOYSA-N 370.503 3.815 0 40 FHAB O=S(=O)(Nc1nc2ccccc2s1)c1cccc(Br)c1 37385845 LESYKZCCRDCHLJ-UHFFFAOYSA-N 369.265 3.860 0 40 FHAB O=C(Nc1ccc(F)cc1F)c1ccc(I)cc1 3093868 PATLVDSIDVYXPU-UHFFFAOYSA-N 359.113 3.822 0 40 FHAB CC(C)C(=O)Nc1cccc(CNC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 106861157 OMQOOZXNBXVCBY-WXSAJPJJSA-N 357.498 3.905 0 40 FHAB C[C@@H](NC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)c1nc(-c2ccc(F)cc2)no1 107348294 HEVZEDXNHVYUKL-REJLFOLJSA-N 360.458 3.589 0 40 FHAB COc1ccccc1OCc1nnc(-c2cnc3onc(C4CC4)c3c2)o1 75136591 HLIQCYOIAGMNOY-UHFFFAOYSA-N 364.361 3.738 0 40 FHAB O=C1OCC[C@@H]1NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 57293267 IYPVYUWXWJFWSS-KXBFYZLASA-N 354.837 3.858 0 40 FHAB O=S(=O)(Nc1ccccc1OCC(F)(F)F)c1cc(F)cc(F)c1 12556967 VCWHAIFGMHBPLH-UHFFFAOYSA-N 367.295 3.707 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3cccc(C)c3C)n[nH]2)c(OC)c1 57412845 SNNFBVMTWQXNFU-UHFFFAOYSA-N 351.406 3.963 0 40 FHAB CCCO[C@H]1CCCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 108351199 SWYRASPCDDUGRO-INIZCTEOSA-N 361.873 3.671 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)CSc1nc([C@@H]2CCCO2)n[nH]1 27226799 UHAXQNREIVRGEN-AWEZNQCLSA-N 360.483 3.819 0 40 FHAB O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccc2nncn2c1 58193664 WOQJJCKJIFXUQO-UHFFFAOYSA-N 369.837 3.682 0 40 FHAB Cc1cccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCC3=O)c(C)c2)c1 10746375 BSOSORJRWJWECJ-MRXNPFEDSA-N 351.450 3.869 0 40 FHAB C[C@@H](OC(=O)c1ccncc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3291732 OBNFHFAZZKQULO-SECBINFHSA-N 372.730 3.938 0 40 FHAB Cc1c(C(=O)N2CCCCCC2)sc2nc3n(c(=O)c12)CCCCC3 12602059 PYELTONVZOHVGP-UHFFFAOYSA-N 359.495 3.509 0 40 FHAB Cc1nn(CC(=O)N[C@@H](C)c2ccc(-n3cccc3)cc2)c(C)c1Cl 28229342 CWDRJAAKUOTSBD-ZDUSSCGKSA-N 356.857 3.821 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(F)c(F)cc1Cl 3317158 FEVTYEKOZMGQRQ-SNVBAGLBSA-N 365.763 3.753 0 40 FHAB COc1cc(CC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc(OC)c1OC 48313506 PTFIAOCSYXGUJD-QGZVFWFLSA-N 373.424 3.758 0 40 FHAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1nc2c(s1)CCCCC2 12828120 ADJVHROTGHGOKR-UHFFFAOYSA-N 353.451 3.553 0 40 FHAB O=C(COc1cc(Cl)c(Cl)cc1Cl)NC(=O)NC1CCCC1 3450808 GDEWILLWBGMFKS-UHFFFAOYSA-N 365.644 3.794 0 40 FHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 13006663 OSYTXXIZUWFDCT-YJBOKZPZSA-N 353.466 3.510 0 40 FHAB COc1ccccc1[C@H](CNc1ncnc2sccc12)N1CCCC1 8338788 HCQSBKCUSLXONK-INIZCTEOSA-N 354.479 3.949 0 40 FHAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 6084023 WZTZMWDLYUDDSI-FTBFDPLKSA-N 372.509 3.755 0 40 FHAB O=C(Cn1nnc2ccccc21)N1CCc2sccc2[C@@H]1c1ccccc1 39527639 NSANWOSWVMZRJM-NRFANRHFSA-N 374.469 3.667 0 40 FHAB CCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccc(F)cc1 13787046 CXWPJJRFOQDWNH-UHFFFAOYSA-N 368.408 3.728 0 40 FHAB Cc1c(C(=O)OC/C=C/c2ccccc2)sc2nc3n(c(=O)c12)CCC3 5246869 XOJDCXFIQHBMOM-RMKNXTFCSA-N 366.442 3.583 0 40 FHAB COc1ccc2c(C)c(CCC(=O)Nc3ccccc3OC)c(=O)oc2c1 14021065 UKYDRRAKNVKEFQ-UHFFFAOYSA-N 367.401 3.690 0 40 FHAB Cc1ccc(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)c(O)c1 14021563 VRRVLMQAVPNMRE-UHFFFAOYSA-N 373.459 3.652 0 40 FHAB CCCC(=O)Nc1ccc(OCC(=O)Nc2cccc(F)c2)c(C(C)=O)c1 14734954 XFCPZESOQAJYIE-UHFFFAOYSA-N 372.396 3.784 0 40 FHAB COc1cccc(-c2nc(CCNC(=O)Cc3ccccc3)cs2)c1 6755451 GFQPMSANYAUGGZ-UHFFFAOYSA-N 352.459 3.720 0 40 FHAB CCCCn1c(O)c(C(=O)N[C@@H](C)c2ccccc2)c(=O)c2ccccc21 5737715 NUPCUGCDZPJGFC-HNNXBMFYSA-N 364.445 3.998 0 40 FHAB CCc1nnc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)s1 5938566 BKTYDGDEYUVNSW-UHFFFAOYSA-N 365.821 3.639 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCCSc2ccccc2)C1 18214759 IWIBWSHOBWHXHX-OAHLLOKOSA-N 364.511 3.542 0 40 FHAB Cc1cccc(NC(=O)CNC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)c1C 8756269 JXQLFPANUHOZPK-WMLDXEAASA-N 354.450 3.707 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1cccc(NC(C)=O)c1 7224526 HCXXFSXYSFMWGR-NSHDSACASA-N 361.829 3.746 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccc(Br)cc2)C1 67801313 WLTNTLZNFINQER-OAHLLOKOSA-N 369.303 3.938 0 40 FHAB CC(C)(C)N1CCn2c(nc3cc(C(=O)NC4CCCCC4)ccc32)C1 23411584 VIZKBTPOZOZXHA-UHFFFAOYSA-N 354.498 3.713 0 40 FHAB Cc1ccnc2nc(C(=O)N[C@H](C)c3ccc(-c4ccccc4)cc3)nn12 9503707 GFLZQFBRCBMPHT-OAHLLOKOSA-N 357.417 3.591 0 40 FHAB Cc1nn(C)c2sc(C(=O)NCc3ccc(OC(F)(F)F)cc3)cc12 9796155 VMRGADUULRXBED-UHFFFAOYSA-N 369.368 3.772 0 40 FHAB C[C@H](NC(=O)Cc1noc2ccccc12)c1nc2ccccc2n1C(F)F 9759880 JMEMETQNTUJNPX-NSHDSACASA-N 370.359 3.993 0 40 FHAB COCCOc1ccccc1C(=O)N(C)[C@H](Cc1ccccn1)C(C)(C)C 72307891 FGAKFIKRKBFLDS-HXUWFJFHSA-N 370.493 3.836 0 40 FHAB CC(C)c1ccc(CCC(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 76022056 RBAIBUWTFGHYFM-RTBURBONSA-N 365.539 3.557 0 40 FHAB C[C@H](CNC(=O)N1CCC(OC2CCCC2)CC1)Oc1ccc(F)cc1 174014547 IMHUEXZIFHOEKR-OAHLLOKOSA-N 364.461 3.726 0 40 FHAB O=C(OCc1cccc2ccccc12)[C@H]1CCCCN1C(=O)c1cccnc1 78999493 TXGQSGSCYIPGLP-OAQYLSRUSA-N 374.440 3.973 0 40 FHAB C[C@H]1C[C@H](C)CN([C@@H](c2ccc(F)cc2)c2sc3ncnn3c2O)C1 22609679 WKCKYDHEKIQGKJ-HUBLWGQQSA-N 360.458 3.703 0 40 FHAB CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 30858431 YFDIKTRSNCIVCV-GFCCVEGCSA-N 366.870 3.669 0 40 FHAB CN1Cc2ccccc2[C@@H](NC(=O)c2occc2COc2ccccc2)C1 535267938 DVRVUZGUKOWARM-FQEVSTJZSA-N 362.429 3.775 0 40 FHAB CCCN1CCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 72216463 BSINKZDALCPDHC-GOSISDBHSA-N 374.529 3.686 0 40 FHAB CC1=C[C@@H](CNC(=O)NC2CCCCC2)[C@H](C(C)C)C[C@H]1CC(=O)O 30882200 YWADQNBRWLINJE-BQFCYCMXSA-N 350.503 3.948 0 40 FHAB biogenic,in-vitro O=S(=O)(NC[C@@H](O)c1cccc2ccccc12)c1ccc(Cl)s1 70636111 NBKMGBYULLXNEL-CQSZACIVSA-N 367.879 3.567 0 40 FHAB O=C(Nc1cccnc1Oc1ccc2c(c1)N=C(O)CC2)[C@@H]1CCCO1 72403403 HRARTNKARIHFSA-INIZCTEOSA-N 353.378 3.526 0 40 FHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCOc1ccc(Cl)cc1 224156656 ICEQEXRPWISDJZ-SFHVURJKSA-N 363.841 3.701 0 40 FHAB Cc1ccc(CNC(=S)Nc2nc(C)cc(N3CCCCC3)n2)cc1 225944662 RXUFZBVCCDOHNE-UHFFFAOYSA-N 355.511 3.570 0 40 FHAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1OC 43030242 RRYNBELUATUYNW-JKSUJKDBSA-N 357.450 3.965 0 40 FHAB CCc1nc(CNC(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)cs1 567567968 GYIZDPVVOOPKLM-GOSISDBHSA-N 371.506 3.769 0 40 FHAB O=C(NCCc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 48586063 CQGIXXCUFSNHFN-UHFFFAOYSA-N 374.440 3.563 0 40 FHAB CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 222724153 WYZVUQNOGLNBEI-NEPJUHHUSA-N 354.298 3.508 0 40 FHAB Cc1cc(S(=O)(=O)Nc2nnc(SCC(C)C)s2)ccc1F 225611030 QWPQISKQKQCOSN-UHFFFAOYSA-N 361.489 3.535 0 40 FHAB CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC)cc1 222389976 MEDYVIQHPLDUBY-GOSISDBHSA-N 366.505 3.653 0 40 FHAB COc1ccc2cc(S(=O)(=O)NCCOc3ccccc3C)ccc2c1 225131904 ABOLXIPYGDHRNC-UHFFFAOYSA-N 371.458 3.514 0 40 FHAB COC(=O)C1CCN(C(=O)COc2cc(C)c(Cl)cc2C(C)C)CC1 40160199 ROLZPMHQCDJVIB-UHFFFAOYSA-N 367.873 3.562 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCSc1ccccc1 223505574 GXODQLIRIHEZQS-QGZVFWFLSA-N 370.518 3.722 0 40 FHAB COc1cccc(OCC(=O)NCCOc2ccccc2C(C)(C)C)c1 223731778 QQJMURADOPGOQP-UHFFFAOYSA-N 357.450 3.567 0 40 FHAB CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 580875991 QJOSGOKVFUDBLI-UKBAYJJMSA-N 364.449 3.548 0 40 FHAB Cc1cccc(CN2CCC(F)(F)[C@@]3(CCN(c4cccnc4)C3)C2)n1 96239567 UHLYBTAAYWKNNY-IBGZPJMESA-N 358.436 3.523 0 40 FHAB COc1ccc(CN2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)cc1 96048745 VPVSLOVRFGSBBG-HXUWFJFHSA-N 356.491 3.776 0 40 FHAB C[C@@H]1Sc2ccccc2N(C(=O)c2ncn(-c3ccccc3)n2)[C@@H]1C 92869522 RMFVMJIAIGMWJV-KGLIPLIRSA-N 350.447 3.797 0 40 FHAB CCc1ccc(NC(=O)C2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 243445207 NEDRCJKEYIIXHZ-UHFFFAOYSA-N 366.461 3.749 0 40 FHAB Cc1nc(C(=O)N2[C@H]3CCCCCN[C@@]3(C)C[C@H]2Cc2ccccc2)co1 257248646 JEPMKZDOLLQHDU-CBQOVEMMSA-N 367.493 3.731 0 40 FHAB Clc1ccc(CN2CC3(C[C@H](OCc4ccncc4)CCO3)C2)cc1 253494875 ZDLLYHNBXOORAQ-LJQANCHMSA-N 358.869 3.685 0 40 FHAB Cc1ccc2oc(C(=O)N3CC[C@H](Oc4ccccc4)[C@@](C)(O)C3)cc2c1 257261322 LGTMIDZXRRNQQY-UNMCSNQZSA-N 365.429 3.786 0 40 FHAB COc1cccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c1OC 260786374 WSQPAEVDIUXOLO-CSMYWGQOSA-N 355.463 3.688 0 40 FHAB Cc1ccc2c(c1)S[C@H](C(=O)N1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C)C2 1325041796 KQHKVLTXIRLXOS-DAYGRLMNSA-N 374.550 3.506 0 40 FHAB C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1cnco1 618237561 DOXQNECFVPLXSU-MRXNPFEDSA-N 354.328 3.811 0 40 FHAB COc1cccc(C2(CNC(=O)N3CCC[C@H]3c3cccc(C)n3)CC2)c1 638104706 LCNPLHLTLRBYBR-FQEVSTJZSA-N 365.477 3.977 0 40 FHAB CN(Cc1cc2ccccc2[nH]1)C(=O)c1cc2c(cc1Cl)NC(=O)C2 1319484196 ZWVAITMUBUCHPH-UHFFFAOYSA-N 353.809 3.588 0 40 FHAB Cc1ccc2c(c1)CN(C(=O)N[C@@H](C)[C@H]1OCCc3sccc31)CCO2 644543599 XXQIXPUSPXPTKE-IFXJQAMLSA-N 372.490 3.663 0 40 FHAB c1nc(C[C@@H]2CCCN(Cc3ccc4cc[nH]c4c3)C2)cc(-c2ncc[nH]2)n1 585182531 FJYXYLDXQSVDRH-INIZCTEOSA-N 372.476 3.803 0 40 FHAB Cc1ccc(C2(O)CCN(Cc3ccc(N4CCCC4=O)cc3)CC2)cc1 12292750 MJNYUZITZXIIDF-UHFFFAOYSA-N 364.489 3.605 0 40 FHAB O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN1C(=O)Nc1ccccc1 12481713 XSFAHBWXHWWUIV-GOSISDBHSA-N 371.868 3.695 0 40 FHAB COc1ccc(C)cc1NC(=O)COc1c(C(=O)O)ccc2ccccc12 13085984 NZLZYWVTNIOLRM-UHFFFAOYSA-N 365.385 3.873 0 40 FHAB Cc1cc(Cl)ccc1OCCCC(=O)O[C@@H](C(N)=O)c1ccccc1 14074739 XBZRTFYYDYTQAE-GOSISDBHSA-N 361.825 3.577 0 40 FHAB Cc1cccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 19946454 ZJIJARLXOLXIRR-UHFFFAOYSA-N 360.479 3.523 0 40 FHAB CCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OC(=O)CC 5417082 IXPNKJQZVRGBOK-VBKFSLOCSA-N 365.385 3.745 0 40 FHAB C[C@@]1(Cc2ccccc2)CCCN1C(=O)NCc1noc2c1CCCC2 585083203 WLVVSMMSOAFGBG-NRFANRHFSA-N 353.466 3.860 0 40 FHAB Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2c[nH]c3ncccc23)C1 588119048 ZJEIFHRHOVHMME-AWEZNQCLSA-N 368.868 3.781 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccccc3)o2)c1C 7166244 GCMOSKOIPKJOJL-UHFFFAOYSA-N 355.419 3.859 0 40 FHAB O=C1C[C@]2(CCCN(CC3CCCCC3)CC2)Nc2ccccc2CN1 2037988893 MTDXIRUMVIYEKM-JOCHJYFZSA-N 355.526 3.923 0 40 FHAB O=S(=O)(Nc1ccc2sncc2c1)c1ccc(Br)cc1 190155449 BHOCICORDBVOIX-UHFFFAOYSA-N 369.265 3.860 0 40 FHAB COc1cc(OC)cc(C(=O)N2CCN=C2SCc2ccc(C)cc2)c1 4120367 KZJBQDVDGFXECP-UHFFFAOYSA-N 370.474 3.757 0 40 FHAB O=C(O)C[C@H](NC(=O)Cc1ccccc1)c1ccc(OC2CCCC2)cc1 4689294 BJAYOCMMKINQOD-FQEVSTJZSA-N 367.445 3.883 0 40 FHAB CC(C)(C)N(C(=O)c1cc(=O)c2ccccc2o1)C(=O)N1CCCCC1 10254433 XXINHVAJHJMALD-UHFFFAOYSA-N 356.422 3.640 0 40 FHAB Cc1ccccc1NC(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1 38590415 GRSXLBVLEKKUGP-UHFFFAOYSA-N 372.900 3.592 0 40 FHAB O=C(c1ccc(Br)o1)N1CCS[C@H](c2ccco2)CC1 207008499 VPBXCNLADMZMDY-LBPRGKRZSA-N 356.241 3.956 0 40 FHAB O=C(CSCc1ccccc1)N1N=C2CCCC[C@H]2[C@]1(O)C(F)(F)F 4742439 QHSLZTTVFRCVMZ-CJNGLKHVSA-N 372.412 3.559 0 40 FHAB O=C(Nc1nc(C2CC2)cs1)c1ccc(NC(=O)c2ccccn2)cc1 40145409 NEWKMGSQXJJVKA-UHFFFAOYSA-N 364.430 3.920 0 40 FHAB CC[C@H](Sc1nnc(-c2cccnc2)n1C)C(=O)Nc1ccccc1F 20171299 CJCZCKOOLXOINO-HNNXBMFYSA-N 371.441 3.526 0 40 FHAB O=C1CCC(=O)N1[C@H](Oc1ccc(Br)cc1)c1ccccc1 1690132 XPACXPKIAHVDJF-QGZVFWFLSA-N 360.207 3.676 0 40 FHAB CCOC(=O)c1ccc(O[C@H]2CCCCO2)c(O[C@@H]2CCCCO2)c1 1727293 KTXMVCSMCQJGMZ-ZWKOTPCHSA-N 350.411 3.674 0 40 FHAB COc1cc(OS(=O)(=O)c2ccc(C)cc2)ccc1Br 2579316 LIIDHYIODBKDJM-UHFFFAOYSA-N 357.225 3.534 0 40 FHAB CN(CC(=O)NCc1ccco1)C(=O)c1ccc(-c2ccc(F)cc2)s1 32719592 QLDNUOPXWKWGDN-UHFFFAOYSA-N 372.421 3.536 0 40 FHAB CC[C@H](NC(=O)N[C@@H]1CCCN(CC)C1)c1ccccc1OC(F)F 52526917 WAAUDJCZRCGXOQ-HIFRSBDPSA-N 355.429 3.523 0 40 FHAB COc1ccc(-c2n(O)c3c([n+]2[O-])-c2cccc4cccc-3c24)cc1OC 6406986 XXCXKDULSZBVLD-UHFFFAOYSA-N 360.369 3.844 0 40 FHAB Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)NC3CCCCC3)C2)c1C 6549728 NAXARLQNSJGRDX-QGZVFWFLSA-N 357.498 3.996 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)CCc1ccccc1 6929477 ORRXDEUHDUNKPH-ZDUSSCGKSA-N 353.871 3.648 0 40 FHAB CC(C)c1ccc(CCNC(=O)CSC(=S)N2CCCC2)cc1 7484295 JSUJYXXNEKFNHU-UHFFFAOYSA-N 350.553 3.583 0 40 FHAB Cc1cc(O[C@@H](C)C(=O)NCCCN2CCCCC2)cc(C)c1Cl 10279895 ASBUBCLQKBQXEF-INIZCTEOSA-N 352.906 3.716 0 40 FHAB Cc1cc(OCC(=O)NCc2ccccc2CN2CCCC2)ccc1Cl 8011901 GKKJPRPTLHYSDB-UHFFFAOYSA-N 372.896 3.939 0 40 FHAB O=Cc1ccc(O[C@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1 677553 HFAAQWLADOYYOF-ZDUSSCGKSA-N 362.596 3.597 0 40 FHAB CC(C)Cn1c(CCC(N)=O)nnc1SCc1ccc(C(C)(C)C)cc1 23329625 YZVFOARMVDCXRC-UHFFFAOYSA-N 374.554 3.942 0 40 FHAB O=C(CSc1cccc[n+]1[O-])Nc1ccc2c(c1)oc1ccccc12 42787485 BZSQUWUAQLEDDK-UHFFFAOYSA-N 350.399 3.950 0 40 FHAB COc1c(C)cccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CN)CC1 100750297 KXVXIPDWBXKBDR-FUHIMQAGSA-N 367.493 3.635 0 40 FHAB CC(C)[C@H](NC(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1cccs1 24318509 RLWMYGCPIGMVAC-INIZCTEOSA-N 350.528 3.846 0 40 FHAB CC(C)CC(=O)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)c(Cl)c1 1312017 YTPBGPICIWNXPP-UHFFFAOYSA-N 365.905 3.629 0 40 FHAB CC(C)C(=O)Nc1cccc(CNC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 106861156 OMQOOZXNBXVCBY-MRHSLFKSSA-N 357.498 3.905 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)cc1 12576816 DEUAOYKCBQEOOZ-KXBFYZLASA-N 367.424 3.541 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)/C=C/c1ccc2ccccc2n1 12597858 CCSFYFGWKHLECA-ZRDIBKRKSA-N 361.401 3.854 0 40 FHAB COc1ccccc1[C@@H](CNC(=O)COc1ccc(C(C)C)cc1)N(C)C 25457414 MDSXEHMMULQFQE-HXUWFJFHSA-N 370.493 3.617 0 40 FHAB O=C(NC1CC1)c1ccc(NCc2cc(Cl)cc3c2OCOC3)cc1 25704172 SEDDQDFPILXEKL-UHFFFAOYSA-N 358.825 3.711 0 40 FHAB Cc1ccc(CN2CCC(C(=O)NCCc3ccccc3F)CC2)cc1 47936634 AGVSGTHPBBPHQO-UHFFFAOYSA-N 354.469 3.705 0 40 FHAB COc1cccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)N2CCCC2)c1 27340895 RPQKUHTXEPAECY-FQEVSTJZSA-N 372.896 3.844 0 40 FHAB O=C(O)/C=C/c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 3227317 IZEATXHGLJMWIR-RMKNXTFCSA-N 371.336 3.604 0 40 FHAB O=C(NCc1ccncc1)c1cn(-c2ccccc2)nc1-c1cccs1 3217383 DKHXNUUAOQXKOR-UHFFFAOYSA-N 360.442 3.926 0 40 FHAB Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1NS(C)(=O)=O 58159929 JOGJEEMJCCXHEF-UHFFFAOYSA-N 353.831 3.664 0 40 FHAB O=C(NCc1ccccc1Cn1cccn1)c1csc(-c2ccccc2)n1 10235177 AIWNSDJFAXJMAK-UHFFFAOYSA-N 374.469 3.985 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)Nc1ccc(F)cc1F)c1ccc(F)cc1 12604489 CQDNOMRNPGSUEO-INIZCTEOSA-N 360.339 3.749 0 40 FHAB O=C(Nc1cccc(COc2cccc(F)c2)c1)c1cnn2cccnc12 48180479 YAJIOCIMUQQBGE-UHFFFAOYSA-N 362.364 3.700 0 40 FHAB CCN(CC)[C@H](CNC(=O)COc1ccccc1Cl)c1ccccc1 28291897 ZXSDJCGRAGHYLU-GOSISDBHSA-N 360.885 3.918 0 40 FHAB CSCc1cccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)c1 10770388 BTQRFCZJMNLCSB-UHFFFAOYSA-N 354.475 3.828 0 40 FHAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2ccccc2)cc1 12769739 PZYWQLFDBUHIHB-UHFFFAOYSA-N 366.490 3.965 0 40 FHAB CC(C)c1ccccc1NC(=O)[C@H](C)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 28888108 SKECDWODCQUMGT-KBPBESRZSA-N 367.449 3.969 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(OCC(F)(F)F)nc1 12771711 LIPTYTKEPVNRNM-LLVKDONJSA-N 354.328 3.522 0 40 FHAB O=C(Cc1ccccc1Cl)Nc1cccc(C(=O)NCC(F)(F)F)c1 11572466 OTRJRXBNAPHURB-UHFFFAOYSA-N 370.758 3.813 0 40 FHAB COC(=O)c1cc(NC(=O)NCC2(c3ccccc3)CC2)c(F)cc1F 48332147 DDNJOXNHWZTHKS-UHFFFAOYSA-N 360.360 3.605 0 40 FHAB COCCOc1nc(C(=O)Nc2cccc(OC)c2)cc2ccccc12 48302208 PIQNLNCFYHQKNZ-UHFFFAOYSA-N 352.390 3.521 0 40 FHAB CC(=O)c1ccc(NC(=O)COC(=O)c2cc3c(s2)CCCC3)cc1 3498887 WCZAEMVJKRNCAE-UHFFFAOYSA-N 357.431 3.625 0 40 FHAB CCc1ccc(OCC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 12906172 HSVXRLDWWMQLRT-GOSISDBHSA-N 366.461 3.505 0 40 FHAB COc1ccc(Nc2ccc(NC(=O)CNC(=O)C(C)(C)C)cc2)cc1 8777244 ZSHPNYCKLAVSIO-UHFFFAOYSA-N 355.438 3.540 0 40 FHAB CN1CCc2c(c3ccccc3n2CCC(=O)Nc2ccc(F)cc2)C1 49545298 DJJMFLWQWTUIPQ-UHFFFAOYSA-N 351.425 3.797 0 40 FHAB Cc1cn(-c2ccccc2Cl)nc1NC(=O)c1ccc([S@](C)=O)cc1 92645538 VKVLQKRAGYPKQH-RUZDIDTESA-N 373.865 3.824 0 40 FHAB O=C(c1cc2nccc(-c3cc(Cl)cc(Cl)c3)n2n1)N1CCCC1 13644915 LDCVVTPICUNVQY-UHFFFAOYSA-N 361.232 3.939 0 40 FHAB Cc1ccccc1CC(=O)OCC(=O)Nc1ccccc1C(F)(F)F 5086880 WNSKWSAXOJEVSR-UHFFFAOYSA-N 351.324 3.738 0 40 FHAB CCc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1C 5046182 WQFDSTYBSPAQID-UHFFFAOYSA-N 358.492 3.837 0 40 FHAB CCOc1ccc([C@@H]2NC(=O)NC3=C2CCc2ccccc23)cc1OC 8970094 LYXUVTILUPPHIA-IBGZPJMESA-N 350.418 3.805 0 40 FHAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2)c(F)c1 6113863 LMRJTOBRLBABGM-SNVBAGLBSA-N 351.761 3.672 0 40 FHAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)cc1 4385144 FVSNZQFTNMLBEM-MRXNPFEDSA-N 352.434 3.694 0 40 FHAB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cccs2)C1=O 4470690 WMNKJACLJHJEBD-NTEUORMPSA-N 358.444 3.732 0 40 FHAB C[C@H](NC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1)c1cccs1 65511959 SYPJFWDUYMHKFM-VHSXEESVSA-N 364.521 3.795 0 40 FHAB Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1[C@@H](O)CC(C)(C)C2 5321370 BDVJQHUJROJNKS-AWEZNQCLSA-N 362.514 3.633 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(S(C)(=O)=O)c1 14196610 ANJLFAYHUXPMFE-UHFFFAOYSA-N 367.854 3.540 0 40 FHAB Cc1cnc(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cn1 65782317 QLUYLCKEYBWHNX-UHFFFAOYSA-N 354.797 3.665 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)N2CCC(Cc3ccccc3)CC2)c1C 14236820 QDISCKBKSMLEHQ-UHFFFAOYSA-N 354.450 3.513 0 40 FHAB CCOc1ccc(NC(=O)c2cc(=O)c3cc(C)ccc3o2)cc1OC 14232313 AORSATCJEALGSY-UHFFFAOYSA-N 353.374 3.761 0 40 FHAB COC(=O)c1sc2c(c1NC(=O)Oc1ccccc1)COC(C)(C)C2 6759398 XKEPFXGEIMAQNR-UHFFFAOYSA-N 361.419 3.997 0 40 FHAB Cc1ccc(C)c(OCc2nnc(S)n2-c2ccc3c(c2)OCCO3)c1 6787951 HQLQITBPPHEVMZ-UHFFFAOYSA-N 369.446 3.523 0 40 FHAB CN(Cc1cc2ccccc2o1)Cc1ccccc1OCC(=O)N(C)C 93689196 HIFSFJOCCBCKOM-UHFFFAOYSA-N 352.434 3.532 0 40 FHAB C[C@@H](OC(=O)Cc1csc(-c2cccs2)n1)C(=O)Nc1ccccc1 7409821 LZICGMYTKCCQRJ-GFCCVEGCSA-N 372.471 3.985 0 40 FHAB O=C(NCc1nc2ccccc2[nH]1)c1cc(C2CC2)nn1-c1ccccc1 9378197 BEKNJQNEDBEKKC-UHFFFAOYSA-N 357.417 3.556 0 40 FHAB Cc1nc(-c2ccccc2)sc1C(=O)O[C@@H](C)C(=O)NC1CCCC1 7618909 VQTVDTLAXKVJCE-ZDUSSCGKSA-N 358.463 3.723 0 40 FHAB COc1ccc(CN(C)C(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1 7814485 JHLNMBJPHYYUBE-UHFFFAOYSA-N 374.868 3.517 0 40 FHAB CSc1cccc(NC(=O)CCN2C(=O)CSc3ccccc32)c1 7940566 FRSFOXVWDHBESB-UHFFFAOYSA-N 358.488 3.876 0 40 FHAB CCOC(=O)c1cc(Nc2ncnc3sccc23)cc(C(=O)OCC)c1 7975136 HNJDUPQXCREZKP-UHFFFAOYSA-N 371.418 3.788 0 40 FHAB Cc1cc2nc(C)c(CCC(=O)Nc3nc(C4CC4)cs3)c(C)n2n1 25561850 OGLRYHIJAUNIDP-UHFFFAOYSA-N 355.467 3.560 0 40 FHAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(F)ccc1C 9499562 RIDIFSQOCRRYBY-UHFFFAOYSA-N 351.761 3.592 0 40 FHAB CC(=O)Nc1ccccc1OCC(=O)N(C)[C@@H]1CCCc2ccccc21 8449596 JKUANUSWZLXBRC-LJQANCHMSA-N 352.434 3.560 0 40 FHAB COc1ccc(-c2noc(COC(=O)c3ccc4ccccc4n3)n2)cc1 8447773 HFLIPDPCYAAXKS-UHFFFAOYSA-N 361.357 3.650 0 40 FHAB COC(=O)[C@@H](Cc1ccco1)C(=O)NCC1(c2cccc(C)c2)CCCC1 95466085 PMXLUKDHENQJIY-IBGZPJMESA-N 369.461 3.548 0 40 FHAB Cc1ccc(CCCC(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)s1 95451214 UZTPGSGFOOOFQC-KBXCAEBGSA-N 365.445 3.992 0 40 FHAB CC[C@H](C)[C@H](NC(=O)Nc1cccc(COC)c1)C(=O)OC(C)(C)C 95440621 FORKYDDAKDBHDE-BBRMVZONSA-N 350.459 3.711 0 40 FHAB O=C(C[C@@H]1OCCc2ccsc21)N(Cc1ccco1)c1ccccn1 89883795 FJHUUOICUSNUQN-INIZCTEOSA-N 354.431 3.973 0 40 FHAB Cc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1Cl 20489499 OTLKIUXYUBSDOS-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB CCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)cc1 408598146 XKODAXHCCZFWCY-UHFFFAOYSA-N 372.490 3.594 0 40 FHAB O=C(c1ccc(-n2cncn2)cc1)N1CC2(CCCC2)c2c(F)cccc21 500144970 RNDDEXZGLBAANH-UHFFFAOYSA-N 362.408 3.879 0 40 FHAB Nn1c(SCc2ccc(F)c3cccnc23)nnc1-c1ccc(F)cc1 32325374 YERKFNWALHKKHR-UHFFFAOYSA-N 369.400 3.778 0 40 FHAB COc1cc2c(cc1OC)[C@@H](C)N([C@@H]1CCCN(C(=O)CC(C)C)C1)CC2 72342509 BXLVLBPVMABBGJ-SJLPKXTDSA-N 374.525 3.660 0 40 FHAB Cc1ccc(CC(=O)N2CCC[C@@H]2c2nn(C)cc2-c2cc(C)no2)cc1 72390705 DFSVRGXONGFMAJ-GOSISDBHSA-N 364.449 3.598 0 40 FHAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1nc(-c2ccccc2)no1 219032887 LIPCMTIXBZKVHX-HNNXBMFYSA-N 373.412 3.974 0 40 FHAB Cc1ccc(CNC(=O)CCc2nc(-c3ccccc3Cl)no2)cc1 75359564 OBQQSDQXPCJZTC-UHFFFAOYSA-N 355.825 3.947 0 40 FHAB COCCn1cc(CCCC(=O)N[C@@H]2CCOC(C)(C)C2)c2ccccc21 79189490 PJIGYOQZHBVSCX-GOSISDBHSA-N 372.509 3.684 0 40 FHAB biogenic Cc1noc(-c2ccnc(SCC(=O)Nc3ccc(C)c(C)c3)c2)n1 49405336 MYPWHRANZYXYNK-UHFFFAOYSA-N 354.435 3.788 0 40 FHAB Cc1c(Cl)cnc(NC(=S)NCc2ccc3c(c2)OCO3)c1Cl 224044129 NUPSBNOCMHTIEW-UHFFFAOYSA-N 370.261 3.912 0 40 FHAB COC(=O)c1cc(-c2csc(N)n2)ccc1OCc1ccc(OC)cc1 85397532 DMLRHSDTFMSQQX-UHFFFAOYSA-N 370.430 3.767 0 40 FHAB Cc1nc(-c2ccccc2)sc1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 85432644 LQZUPSYQQFFXCX-OXJNMPFZSA-N 356.491 3.886 0 40 FHAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 224279780 QXLJOHCLOKQLGN-KRWDZBQOSA-N 370.468 3.558 0 40 FHAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCC)c1ccccc1 223479510 CAIZEXHAKJAZBO-FQEVSTJZSA-N 356.441 3.832 0 40 FHAB CC(C)c1ccc(C[C@H](C(=O)O)N2CCN(c3ccccc3)CC2)cc1 225143109 YMWOLLJHGCWNFV-OAQYLSRUSA-N 352.478 3.628 0 40 FHAB CCc1ccccc1NC(=O)Nc1cnc(N2CCCCC2)nc1N(C)C 224145237 SUCYULSEEOQWJK-UHFFFAOYSA-N 368.485 3.739 0 40 FHAB CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)cc1 222751433 LPKXATYMGNNWNU-QZTJIDSGSA-N 352.438 3.614 0 40 FHAB Cc1ccc(CN2CCC3(CC2)C[C@@H](OCc2ccncc2)CO3)s1 96106819 VWCUEMDJJRVHQJ-GOSISDBHSA-N 358.507 3.792 0 40 FHAB O=C(C[C@@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21)NCC1CC1 96053127 ZAPFFLNVLJRIAD-LJQANCHMSA-N 368.521 3.714 0 40 FHAB COC(=O)c1cc(NC(=O)Cn2cc(C=O)c3ccccc32)ccc1Cl 5929157 VPXMURMWHKWDTM-UHFFFAOYSA-N 370.792 3.533 0 40 FHAB CC(C)(C)OC(=O)N1CCC(OCc2ccc(Br)nc2)CC1 95084447 LNMFXCVUEKDPPE-UHFFFAOYSA-N 371.275 3.760 0 40 FHAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1ccc(F)c(Cl)c1 95472512 YWILDTFVGSINHA-CYBMUJFWSA-N 355.822 3.974 0 40 FHAB Cc1nc2c(c(Nc3ncc(C)s3)n1)CCN(Cc1ccccc1)CC2 257209884 BSGRCSMJKBYBNH-UHFFFAOYSA-N 365.506 3.894 0 40 FHAB Cc1nc(CN2CCOC[C@H](Cc3ccc4ncccc4c3)C2)cs1 257260266 LCBOWOBQBYFLCZ-QGZVFWFLSA-N 353.491 3.691 0 40 FHAB O=C1C[C@H](c2ccsc2)[C@H]2[C@@H](O)CCC[C@H]2N1Cc1cccc(F)c1 257297282 RGPVKJZYIVLDSB-FTEYMNFISA-N 359.466 3.933 0 40 FHAB Cc1ccc(C)c(-n2nc(C(=O)O)c(N3CC[C@@H](c4ccccc4)C3)n2)c1 256046049 CJNVWJVHGPXNHQ-QGZVFWFLSA-N 362.433 3.576 0 40 FHAB Cc1ccc(C(=O)N2CCC[C@@H]2c2nccnc2Nc2cccc(C)n2)cn1 257219009 DFGDXOSKMYVKKZ-QGZVFWFLSA-N 374.448 3.604 0 40 FHAB Cc1ccc(OCCCCNS(=O)(=O)c2cccc3cnccc23)cc1 614607549 QMNOKLHCBXXEPW-UHFFFAOYSA-N 370.474 3.681 0 40 FHAB CC(C)c1nc(N(C)C)nc(N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)n1 680378840 OOUSGBITXLESSE-IAGOWNOFSA-N 373.476 3.557 0 40 FHAB Cc1nnc(CN(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)o1 585087299 ODEMSRDJRQVRHD-AWEZNQCLSA-N 350.422 3.823 0 40 FHAB CCCNC(=O)c1cccc(CNCc2ccc(Br)s2)c1 47794421 BXMINQGQQPYRAX-UHFFFAOYSA-N 367.312 3.940 0 40 FHAB C[C@H](Cn1cccn1)NC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl 52665753 GCTMCBBEPRHWTP-GHMZBOCLSA-N 358.294 3.875 0 40 FHAB COc1ccccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 811319 AHYRVDWHDUBZLI-JXAWBTAJSA-N 362.385 3.698 0 40 FHAB CCOC(=O)[C@H](C)N[C](Cc1ccc(-c2cccc(Cl)c2)cc1)C(=O)O 1560406061 HGOZRVJRQHKCOG-ZDUSSCGKSA-N 374.844 3.707 0 40 FHAB C[C@H]1CN(c2ncc(-c3ccsc3)c(-c3nccs3)n2)C[C@H](C)O1 12240502 DQZYNHYTKMDSDZ-RYUDHWBXSA-N 358.492 3.942 0 40 FHAB COc1cc(-c2c/c(=N\C[C@@H]3CCCO3)c3ccccc3o2)ccc1O 12419101 HGPDZYFENFMJGK-GBPUDXIESA-N 351.402 3.894 0 40 FHAB biogenic,in-vitro CC(=O)Nc1ccc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)cc1 14085368 PHAKDHXUKULRTA-GXDHUFHOSA-N 365.820 3.953 0 40 FHAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN3Cc3ccccn3)cc2n1 19116935 KCAOOIOTMKKPIJ-OAHLLOKOSA-N 361.371 3.789 0 40 FHAB COc1ccc([C@@H]2[C@@H](NC(=O)C[C@@H](C)n3ccnc3)[C@@H]3CCCC[C@H]32)cc1 19455502 INXUSRUAMUXTRN-UFTMSNCASA-N 367.493 3.931 0 40 FHAB Cc1nc(C)c(C(=O)N2CCCC[C@H]2CCNC(=O)c2ccccc2)s1 19748988 ZPGPTYXNCVDKBN-KRWDZBQOSA-N 371.506 3.575 0 40 FHAB Cc1ccc2oc(C(=O)NCC3(N4CCOCC4)CCCCC3)c(C)c2c1 19902018 JZMIMTXHBYUNTN-UHFFFAOYSA-N 370.493 3.815 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(Br)cn3)cc2)n1 6545983 WWPFHUIVKKQICU-UHFFFAOYSA-N 371.238 3.899 0 40 FHAB Cc1nc(C)c(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2Cl)s1 10142990 CNOYLUNAJZTYLJ-MRVPVSSYSA-N 356.806 3.736 0 40 FHAB C[C@@H](NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1F 26680861 URDIQZZIAQMPFJ-XSXQVXRUSA-N 372.484 3.726 0 40 FHAB Cc1cc(N2CCC(N3CCc4sccc4C3)CC2)nc(C2CC2)n1 1776000660 DJCWHOBNEKLQEC-UHFFFAOYSA-N 354.523 3.751 0 40 FHAB O=C(Nc1cccc2cccnc12)c1ccc(OCC2CCOCC2)nc1 253407861 WVZGUASTZYDVLF-UHFFFAOYSA-N 363.417 3.688 0 40 FHAB CC(C)c1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2N)cc1 2383234 PDONVESHTSIISF-UHFFFAOYSA-N 373.526 3.894 0 40 FHAB Nc1c(-c2nc(-c3ccc(Cl)cc3)no2)nnn1-c1ccccc1Cl 4313471 BKFBXKLCUNWLDO-UHFFFAOYSA-N 373.203 3.873 0 40 FHAB CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)c3ccccc23)c1 4585835 ALCQGZPZZAUBJT-UHFFFAOYSA-N 369.442 3.894 0 40 FHAB CCN(CC)CCN(C(=O)c1ccco1)c1nc2ccc(OC)cc2s1 5121810 HGRMXYQVNLJVTL-UHFFFAOYSA-N 373.478 3.887 0 40 FHAB O=C(Nc1cccc(F)c1)c1cccn(Cc2cccc(Cl)c2)c1=O 5270531 SHUHIXOXPNYQRN-UHFFFAOYSA-N 356.784 3.941 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)o2)cc1Cl 6100370 JLPFQOUFSWVZRP-UHFFFAOYSA-N 360.826 3.824 0 40 FHAB O=c1c2cc(Cl)ccc2nc2sc(Nc3ccc(F)cc3F)nn12 17149740 WWHMJKVUBBNLQK-UHFFFAOYSA-N 364.764 3.979 0 40 FHAB O=C(NCc1nccnc1-c1ccsc1)C1(c2ccc(F)cc2)CC1 575620829 VVHGQFOBNFLNOF-UHFFFAOYSA-N 353.422 3.692 0 40 FHAB COc1ccc([C@@H](CNCc2cc(OC)cc(OC)c2)N2CCCC2)cc1 22787451 YURUEYMHJLMTJB-JOCHJYFZSA-N 370.493 3.639 0 40 FHAB O=C(Nc1ccccc1)C1CCN(C(=O)COc2ccc(Cl)cc2)CC1 10445403 YKKJQXPBOOEIRT-UHFFFAOYSA-N 372.852 3.596 0 40 FHAB CCOc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 10445407 QTZQDBBMNCPUKT-UHFFFAOYSA-N 352.434 3.576 0 40 FHAB O=C(NCc1nc2ccccc2s1)Nc1cccc(C(=O)NC2CC2)c1 40104247 GIPHMDWHMABNJX-UHFFFAOYSA-N 366.446 3.510 0 40 FHAB CCN(C(=O)COC(=O)c1ccc(Br)cc1)c1ccccc1 51356386 SFFRMGUUNLGZNY-UHFFFAOYSA-N 362.223 3.659 0 40 FHAB COc1ccc2c(ccn2CC(=O)NCCc2c[nH]c3ccc(F)cc23)c1 20723128 HAVHNHPKPISYIQ-UHFFFAOYSA-N 365.408 3.629 0 40 FHAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)c2ccc(Cl)cc2N)C1 101733363 XGWYJHQRZQXMAE-ORAYPTAESA-N 364.873 3.506 0 40 FHAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2)c1cccc(F)c1 11695802 GLLPIRGVPCSZEB-UHFFFAOYSA-N 361.376 3.676 0 40 FHAB CC(C)NC(=O)CSc1nc(Cc2ccccc2)nc2ccccc12 1342675 FQIBSWCMOYYNSQ-UHFFFAOYSA-N 351.475 3.837 0 40 FHAB Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NCc2ccccc2Cl)cc1 1347021 GLQJSZOILBDZHG-GOSISDBHSA-N 371.868 3.961 0 40 FHAB CC(C)[C@H](NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(F)cc1 32744980 BBJPVHAQSNJGDO-NRFANRHFSA-N 370.468 3.785 0 40 FHAB Cc1cccc(NC(=O)C[S@](=O)Cc2csc(-c3ccco3)n2)c1 32801405 PUZRMSOUKUGBGA-DEOSSOPVSA-N 360.460 3.599 0 40 FHAB CCOC(=O)C1=NN[C@@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C)cc1 4899401 RKUJDFNXSWLLHC-IAGOWNOFSA-N 370.836 3.506 0 40 FHAB Cc1ccccc1-c1nnc2sc(NC(=O)c3cccc(F)c3)nn12 6818138 YNBKICHIUYIJGG-UHFFFAOYSA-N 353.382 3.553 0 40 FHAB COc1ccc(CC(=O)NCc2ccc(CN3CCCC[C@@H]3C)cc2)cc1 32930256 HMEFASOKAQHWEP-SFHVURJKSA-N 366.505 3.929 0 40 FHAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)N(CC)CC 8478616 IEIAMQHLRLHNEW-LJQANCHMSA-N 354.450 3.965 0 40 FHAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(Cl)cc1Cl 22462192 MWIOPCRPZVAJSX-UHFFFAOYSA-N 371.308 3.758 0 40 FHAB O=C(Nc1ccccc1-c1nc(Cc2ccccc2)no1)c1ccncc1 22464363 BVCHFPMGNBHFFV-UHFFFAOYSA-N 356.385 3.975 0 40 FHAB CN(C)[C@@H](CNC(=O)c1ccc2ncsc2c1)c1ccccc1Cl 22619865 INQYUPMGMKSMTM-INIZCTEOSA-N 359.882 3.982 0 40 FHAB Cc1cccc(NC(=O)c2oc3ccccc3c2CSc2ncn[nH]2)n1 12534198 YXNSYONRDMJRAJ-UHFFFAOYSA-N 365.418 3.799 0 40 FHAB O=C(COc1ccc(Cl)cc1)N[C@H](Cc1ncc[nH]1)c1ccccc1 12531633 SUWDUKBWGYVCSP-QGZVFWFLSA-N 355.825 3.542 0 40 FHAB CCOc1ccc(CSc2nnnn2-c2ccccc2F)cc1OCC 1072829 AWBIFJWDKZTAIG-UHFFFAOYSA-N 374.441 3.891 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CCCC[C@@H]3C)CC2)cc1Cl 57698435 GIUIVAMVPPCYOA-MAUKXSAKSA-N 370.946 3.533 0 40 FHAB C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(Br)o2)C1 106135314 YSMCVUZUDHAAQP-TZMCWYRMSA-N 363.255 3.607 0 40 FHAB O=C(COC(=O)CCC(=O)c1cccs1)Nc1ccc(Cl)cc1 3251905 YJZYGFCIBDRJOW-UHFFFAOYSA-N 351.811 3.546 0 40 FHAB CCOC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1Cc1ccco1 57265876 AYKWVWSIEQQDMN-CYBMUJFWSA-N 357.435 3.630 0 40 FHAB C[C@H](Sc1ccccc1)C(=O)NCc1ccc(Cn2cccn2)cc1 12625822 SPGOMSBJYZLKDY-INIZCTEOSA-N 351.475 3.728 0 40 FHAB Cc1cc2nnc(SCC(=O)N3C[C@@H](C)C[C@@H](C)C3)n2c2ccccc12 12692805 HWHAKVKPFMTPSD-OKILXGFUSA-N 368.506 3.788 0 40 FHAB CCCCn1c([C@H](Cc2ccccc2)NC(=O)COC)nc2ccccc21 1927020 ZQUJSKDEHLOAKE-IBGZPJMESA-N 365.477 3.883 0 40 FHAB c1coc(CN2CCN(Cc3ccc(OCc4ccncc4)cc3)CC2)c1 58065257 VTVGRIFZWPVZRR-UHFFFAOYSA-N 363.461 3.571 0 40 FHAB CCc1ccc(NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1 113955429 XKTZCYJXXPTUIV-UHFFFAOYSA-N 374.506 3.742 0 40 FHAB O=C(OCc1nc2ccccc2o1)c1ccc(N2CCCCC2=O)cc1 27823247 VCLUIOXUTXUQJM-UHFFFAOYSA-N 350.374 3.702 0 40 FHAB Cc1cc(C)nc(SCC(=O)Nc2ccccc2OC(F)(F)F)n1 27823201 ZKGHWCPXLLSAJF-UHFFFAOYSA-N 357.357 3.723 0 40 FHAB COc1cccc(CNC(=O)c2sc(NC(=O)c3ccco3)cc2C)c1 12760838 HCJYIOWUTWHYPJ-UHFFFAOYSA-N 370.430 3.840 0 40 FHAB C[C@H](OCCCNC(=O)c1cc2ccccc2oc1=O)c1ccccc1 12748305 MJFWZIIGKSVSKF-HNNXBMFYSA-N 351.402 3.691 0 40 FHAB O=C(CCc1ccc2c(c1)OCCO2)Nc1cccc(Br)c1 12977465 HOTQMOAULQACIV-UHFFFAOYSA-N 362.223 3.792 0 40 FHAB O=C(OCC(=O)N1CCCCCC1)c1c2c(nc3ccccc13)CCCC2 3619160 NIRBYRTWJDNAMA-UHFFFAOYSA-N 366.461 3.673 0 40 FHAB COc1cc(C(C)=O)ccc1OCCN1CCCC[C@H]1c1cccnc1 8741487 WBPVEWGUYWTGGP-IBGZPJMESA-N 354.450 3.899 0 40 FHAB biogenic CCN(CC(=O)Nc1ccccc1)CC(=O)Nc1cc(Cl)ccc1C 13071134 CTUJJGDICNAFNT-UHFFFAOYSA-N 359.857 3.548 0 40 FHAB C[C@H](c1ccccc1)N(C)C(=O)CSc1nc(O)c2ccccc2n1 14016386 LDSKKOGHRZJVSA-CYBMUJFWSA-N 353.447 3.647 0 40 FHAB COc1ccc2cc(C(=O)N(Cc3ccco3)C[C@@H]3CCCO3)[nH]c2c1 5348004 WVTIQHBZLFHFMG-KRWDZBQOSA-N 354.406 3.591 0 40 FHAB COc1ccc(C(=O)N[C@@H](C)c2cccc(Br)c2)cc1OC 20025292 YJCABIMWCIERTE-NSHDSACASA-N 364.239 3.957 0 40 FHAB O=C(NC[C@@H]1CCCO1)c1oc2ccccc2c1COc1ccccc1 6608986 FXVUTGXWKXTBEO-INIZCTEOSA-N 351.402 3.921 0 40 FHAB O=C(c1cc2c(s1)CCCCC2)N1CCN(Cc2ccccc2)CC1 28086544 PGGJBTQNDGYRKF-UHFFFAOYSA-N 354.519 3.975 0 40 FHAB COc1ccc(Cl)cc1C(=O)OCC(=O)N[C@@H](C)c1ccc(C)cc1 67198329 AAKYHBJKRZNIJW-ZDUSSCGKSA-N 361.825 3.691 0 40 FHAB COc1ccc(C(=O)COC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1Cl 7387293 MYKSRORJXCBIOU-UHFFFAOYSA-N 363.797 3.536 0 40 FHAB CC(C)[C@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1cccs1 16172403 ANJRPIAKEMUOQZ-SFHVURJKSA-N 367.474 3.531 0 40 FHAB COc1cc(CN(C)c2ncnc3sccc23)ccc1OC(F)F 7814414 FJXBWQOEUKRXJG-UHFFFAOYSA-N 351.378 3.938 0 40 FHAB CCOc1cc(C(=S)NCCOC)ccc1OCc1ccc(F)cc1 408574878 MZRZKNDKDSSKGA-UHFFFAOYSA-N 363.454 3.715 0 40 FHAB COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1C 8336418 MDYCKDRPMAOQEB-UHFFFAOYSA-N 360.262 3.789 0 40 FHAB COc1ccc(-c2nc(NC(=O)Cc3c(C)noc3C)sc2C)cc1 8305157 CUOYIGMLHDHBOI-UHFFFAOYSA-N 357.435 3.913 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c1C 9378179 MDXCLMSEBJYZLU-ZDUSSCGKSA-N 350.422 3.511 0 40 FHAB COc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2c(C)noc2C)cc1 8427660 JJXQSFKICKDHHI-KRWDZBQOSA-N 364.467 3.606 0 40 FHAB CC(=O)c1ccccc1OCCSc1nnc(-c2ccoc2C)n1C 9499861 WEAXSDKIVGLWFZ-UHFFFAOYSA-N 357.435 3.757 0 40 FHAB COc1ccc(CN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C2CC2)cc1 83944271 HZWVFTWDYPSOJU-RXVVDRJESA-N 356.510 3.841 0 40 FHAB COc1cc(NC(=O)c2sc(C)nc2C)ccc1-n1nc(C)cc1C 72402923 YBEOSUKSWDTYFH-UHFFFAOYSA-N 356.451 3.823 0 40 FHAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc3c(ccn3CC(=O)N(C)C)c2)C1(C)C 84671112 RNZCMSLAGBRGAP-XLIONFOSSA-N 367.493 3.906 0 40 FHAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1[nH]c(C)c(C(C)=O)c1C 9993314 MJUJLKIJUILXLA-UHFFFAOYSA-N 370.409 3.530 0 40 FHAB CCOc1ccc([C@H](C)NC(=O)c2ccc(-c3noc(C)n3)cc2)cc1 75134268 FBIUHWPZQLRSMY-ZDUSSCGKSA-N 351.406 3.935 0 40 FHAB COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccccc1COc1ccccc1 75109825 RPIYJYCQFQSCEU-MJGOQNOKSA-N 368.433 3.729 0 40 FHAB C[C@@H]1C[C@H](NC(=O)N2CCC(Cc3cccc(F)c3F)CC2)c2nccn21 516850305 HZBHPIWQVUXUNT-DYVFJYSZSA-N 374.435 3.831 0 40 FHAB O=C(NCc1ccccc1)[C@@H]1Cc2ccccc2CN1Cc1ccc(O)cc1 36217799 MUEHDRCEFILVAE-QHCPKHFHSA-N 372.468 3.636 0 40 FHAB O=C(Nc1n[nH]c(-c2ccccc2Br)n1)[C@@H]1CC12CCCC2 531333689 LPWNZQHQGCBMPC-NSHDSACASA-N 361.243 3.753 0 40 FHAB Cc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1C(N)=O 550859244 LCTDMPPRQNJUII-UHFFFAOYSA-N 369.808 3.963 0 40 FHAB CCOc1ccc(I)c(CNCc2ccccc2)c1 36612545 WEEIXHDROAMZLT-UHFFFAOYSA-N 367.230 3.980 0 40 FHAB COc1ccc(-c2cn(CC(=O)Nc3cccc(C)c3)nc2N(C)C)cc1 62006993 ZSFSLRCSSWRVMZ-UHFFFAOYSA-N 364.449 3.572 0 40 FHAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 219593409 JAMOYGYAAAMXLD-IBGZPJMESA-N 352.434 3.918 0 40 FHAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2ccccc2OC)c1C 219560150 MTNUJQRFKOJDCF-KRWDZBQOSA-N 371.433 3.976 0 40 FHAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1ccccc1Br 225744585 KXLDERSGWSFIOF-UHFFFAOYSA-N 371.234 3.711 0 40 FHAB CSCc1cccc(C(=O)NCCNc2ccc(C(F)(F)F)cn2)c1 40080745 OERURRXVMFVKBZ-UHFFFAOYSA-N 369.412 3.805 0 40 FHAB Cc1ccc(OCCNC(=O)C2CCN(Cc3ccccc3)CC2)cc1C 224525914 UDVNJOUFJVCDKG-UHFFFAOYSA-N 366.505 3.711 0 40 FHAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 222860242 QFVZPBHHUNTEQS-OALUTQOASA-N 363.490 3.650 0 40 FHAB COc1ccccc1CNC(=O)c1cnc(-c2ccc(Cl)cc2)nc1 222607882 GTLOBNQBXYJMPV-UHFFFAOYSA-N 353.809 3.736 0 40 FHAB O=C(/C=C/c1ccc(Cl)cc1)NCc1cccc(CN2CCOCC2)c1 47227917 XJXZVGGZTDDRDN-RMKNXTFCSA-N 370.880 3.502 0 40 FHAB O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)[C@H]1CC=CCC1 225756124 JMOMXMAQYUEHFG-AWEZNQCLSA-N 356.495 3.580 0 40 FHAB CO[C@@](C)(C(=O)Nc1ccc(OCCCN2CCCCC2)cc1)C1CC1 225644336 NJVDKDOLYZQTER-OAQYLSRUSA-N 360.498 3.695 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 223621206 ARCJKTWDYCZXPA-IBGZPJMESA-N 366.505 3.789 0 40 FHAB Cc1ccccc1CSCC(=O)Nc1ccc2c(c1)sc(=O)n2C 225021194 PHGJRNJQPIYLNE-UHFFFAOYSA-N 358.488 3.780 0 40 FHAB Cc1ccc(C2CCN(S(=O)(=O)c3sc(C)cc3C)CC2)cn1 330252709 AEIVOWVBQPYIBF-UHFFFAOYSA-N 350.509 3.637 0 40 FHAB O=C(NCCCc1nnc2ccccn12)c1cc2c(Cl)cccc2s1 95472784 NZHCLQUQQGNLOY-UHFFFAOYSA-N 370.865 3.960 0 40 FHAB Cc1noc2nc(C3CC3)cc(-c3nc(-c4ccc5nc(O)[nH]c5c4)no3)c12 578808588 JXFKDQFKVNAWKC-UHFFFAOYSA-N 374.360 3.708 0 40 FHAB OC[C@H]1CN(Cc2c[nH]nc2-c2ccccc2F)CC[C@H]1c1ccccc1 585084527 LXPHCFGFTCDDTN-MOPGFXCFSA-N 365.452 3.814 0 40 FHAB CC[C@H](C)n1ncc(C(=O)N[C@@H]2CCCc3nc(O)ccc32)c1C1CC1 270463723 FYUWJDRVWPWETF-YVEFUNNKSA-N 354.454 3.640 0 40 FHAB O=C(N=c1[nH]nc(-c2cc3ccccc3o2)s1)NCC[C@H]1CC1(F)F 621458079 PASNHEJOJFSODD-JTQLQIEISA-N 364.377 3.540 0 40 FHAB C[C@H]1CSc2ccccc2N1C(=O)c1ccc(N2CCOCC2)c(F)c1 674313251 XVFIREUYOYMBNT-AWEZNQCLSA-N 372.465 3.803 0 40 FHAB Cc1ccc2c(c1)[C@H]1NC(=O)N(Cc3cccs3)[C@@]3(CCCO[C@H]13)O2 1776005917 PXFFWHVWWRODKE-LMMKCTJWSA-N 356.447 3.591 0 40 FHAB O=C(O)[C@@H]1CCN(C(=O)c2ccc(-c3cccc(Cl)c3)cn2)C2(CC2)C1 1777615094 VPVQDAKRAZBTPR-CQSZACIVSA-N 370.836 3.871 0 40 FHAB COc1ccc(Cl)cc1C(=O)[C@H](Br)CBr 382696096 KRZWYBAFGDUZLE-MRVPVSSYSA-N 356.441 3.690 0 40 FHAB CO[C@H](CNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1C 96105082 VBWFAHJEXBILNT-MRXNPFEDSA-N 373.396 3.680 0 40 FHAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCC[C@H](C)C2)C3)cc1 585104806 SXELTGKCEFUTEE-FPOVZHCZSA-N 370.537 3.738 0 40 FHAB Cn1cc([C@@H]2CCCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)C2)cn1 681289924 NUMXVJNELMNYIN-CQSZACIVSA-N 361.873 3.637 0 40 FHAB CC(C)c1ccccc1NCC(=O)N1CCN(Cc2ccccc2)CC1 58219027 XHCFKRWFDAPBNN-UHFFFAOYSA-N 351.494 3.566 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC(c3ccc4cccnc4n3)CC2)cc1 655641912 LWMHWKVRSFOBCN-UHFFFAOYSA-N 367.474 3.507 0 40 FHAB CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)[C@H](OC(C)=O)C[C@H]12 5228515 QZQSENRWYLQIPC-UDGWLPKNSA-N 370.445 3.579 0 40 FHAB CC(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 5638326 KNLTTYVCSQFNIS-UHFFFAOYSA-N 372.490 3.847 0 40 FHAB O=C(CCc1cc(Cl)no1)N1CCC(c2cc3ncccc3cn2)CC1 12224124 ZIOZGFBAUBQAOR-UHFFFAOYSA-N 370.840 3.610 0 40 FHAB O=C(NCc1ccc(Cn2cccn2)cc1)c1cccc(Br)c1 12987422 POYOSQRWSWKADQ-UHFFFAOYSA-N 370.250 3.624 0 40 FHAB O=C(N[C@H](c1ccccn1)C1CCN(Cc2ccccc2F)CC1)C1CC1 19348861 IEXZWOJXVQRHRE-NRFANRHFSA-N 367.468 3.700 0 40 FHAB CC(=O)Nc1ccc(-c2nnc(SCC(=O)c3ccc(C)cc3)o2)cc1 19928651 QJJHDEQZSFRPGW-UHFFFAOYSA-N 367.430 3.978 0 40 FHAB CCOc1ccc(C2=N/C(=C\c3ccc(OC)c(OCC)c3)C(=O)O2)cc1 8179971 OORAPVKSFVHKEF-ATVHPVEESA-N 367.401 3.837 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(-c3ccc(C(=O)O)o3)cc2)cc1 226306535 FZVDXOQPCPUUDW-UHFFFAOYSA-N 357.387 3.754 0 40 FHAB COc1ccc(NC(=O)c2ccc(COC(=O)c3cccn3C)cc2)cc1 11321772 IFFGDCIQKNCWOL-UHFFFAOYSA-N 364.401 3.643 0 40 FHAB Cn1nccc1-c1ccc(CCNC(=O)C2(c3ccc(F)cc3)CC2)cc1 1889260337 PSOCFJWVPFCQOJ-UHFFFAOYSA-N 363.436 3.617 0 40 FHAB Cc1ccc2c(CC(=O)NC3(c4noc(C)n4)CCCCC3)coc2c1 23507924 RHAJLVXUCPPFMN-UHFFFAOYSA-N 353.422 3.951 0 40 FHAB CC(=O)c1cc(CCC(=O)OCc2nc(-c3ccc(F)cc3)no2)oc1C 25810395 FPHMQBXFBDPLEQ-UHFFFAOYSA-N 372.352 3.656 0 40 FHAB COc1cc(CNC(=O)c2ccc(C)cc2)ccc1OCc1cccnc1 27174022 ASQPTGKDNDRDDO-UHFFFAOYSA-N 362.429 3.908 0 40 FHAB Cc1cc(C)c2nc(N3CCN(C(=O)c4ccccc4)CC3)sc2c1 5182276 TYVSXQRTNTTZRL-UHFFFAOYSA-N 351.475 3.876 0 40 FHAB CC(C)N(C(=O)CSc1nnc(C2CCCCC2)n1N)c1ccccc1 5257224 OSQHOEVYJLWHDR-UHFFFAOYSA-N 373.526 3.573 0 40 FHAB COc1ccc(SCC(=O)Nc2nc3cc4c(cc3s2)OCO4)cc1 10219234 DAJZISMLICJIMF-UHFFFAOYSA-N 374.443 3.764 0 40 FHAB Cc1cc(C)cc(NC(=O)CCn2cnc3c([nH]c4ccccc43)c2=O)c1 23125943 QKFOHVYHRKOJCJ-UHFFFAOYSA-N 360.417 3.523 0 40 FHAB CCN(CC)c1ccc(-c2noc(CN3CCc4ccccc4C3)n2)cn1 49409706 HYJXFWWRFDCQEN-UHFFFAOYSA-N 363.465 3.536 0 40 FHAB O=c1c2sccc2nc(SCc2c(F)cccc2Cl)n1CCO 585146595 BAMZEIMWWDASNX-UHFFFAOYSA-N 370.858 3.535 0 40 FHAB Cc1ccc(N2C(=O)CS[C@]23C(=O)N(C)c2ccccc23)cc1Cl 6996883 NNCBFQIQRJQTDY-GOSISDBHSA-N 358.850 3.558 0 40 FHAB O=C(NCc1ccc(-n2cccn2)nc1)c1ccc(-c2ccccc2F)o1 40025406 CWXCGZCMARFVNT-UHFFFAOYSA-N 362.364 3.596 0 40 FHAB C[C@H](NC(=O)c1occc1CS(=O)(=O)c1ccccc1)c1ccccc1 40018225 YIFMWRWVGXHWLS-HNNXBMFYSA-N 369.442 3.745 0 40 FHAB C[C@H](NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1ccncc1 40141027 GFTRDJIMKOZBJM-LBPRGKRZSA-N 368.387 3.525 0 40 FHAB C[C@@H](OCC(F)(F)F)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 31712942 HUAGWXIHZVEXJV-KCJUWKMLSA-N 353.793 3.961 0 40 FHAB C[C@H](OC1CCCC1)C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 70860219 INWNPSYEVACLQZ-AWEZNQCLSA-N 354.454 3.568 0 40 FHAB CC(C)(C)[C@H]1CCCN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1 78759306 OBEFXVXPDYVPJD-INIZCTEOSA-N 368.543 3.712 0 40 FHAB Cc1cc(C(=O)COc2ncnc3sccc23)c(C)n1CC(F)(F)F 3497064 VCGBMPTUIWFYCN-UHFFFAOYSA-N 369.368 3.934 0 40 FHAB O=C(CNC(=O)c1ccoc1)N[C@H](c1ccc(Cl)cc1)c1cccs1 53901583 HZWLICPOBVRVAY-QGZVFWFLSA-N 374.849 3.630 0 40 FHAB CCOCCCNc1c(C)c(C)nc2cc(-c3ccc(OC)cc3)nn12 4966199 HPGJRRKCJIELIS-UHFFFAOYSA-N 354.454 3.860 0 40 FHAB COc1cc(SC)ccc1C(=O)Nc1ccccc1N1CCOCC1 6788759 DCFMAAHJVNIZRL-UHFFFAOYSA-N 358.463 3.506 0 40 FHAB COC(=O)c1c(NC(C)=O)c2cc(OCc3ccccc3)ccc2n1C 6857022 DZUDWHDBHDWQLV-UHFFFAOYSA-N 352.390 3.502 0 40 FHAB CCCC(=O)Nc1ccc(C(=O)COc2ccc(-c3nnco3)cc2)cc1 7294302 LJALYBUGCCZPFS-UHFFFAOYSA-N 365.389 3.737 0 40 FHAB CC(C)(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 107670681 PNWZFRADZGJRLJ-UHFFFAOYSA-N 366.870 3.669 0 40 FHAB O=C(COc1ccc(Cl)cc1)Oc1ccc2c3c(c(=O)oc2c1)CCC3 943430 VMRUFRCHGBRWFR-UHFFFAOYSA-N 370.788 3.920 0 40 FHAB CCCCOc1ccc(S(=O)(=O)NCc2ccncc2)c2ccccc12 19943616 UBACQWSYMYDSDQ-UHFFFAOYSA-N 370.474 3.892 0 40 FHAB COc1cc(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)c(C(=O)N(C)C)cc1OC 25219590 YVARYJHNZDDSNE-KBXCAEBGSA-N 374.481 3.583 0 40 FHAB O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc2ccccc2oc1=O 55944323 SZPGSQXFOOMULQ-RTBURBONSA-N 367.376 3.582 0 40 FHAB COCc1nc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2[nH]1 72403129 HWWNVIUKPKYJQB-UHFFFAOYSA-N 367.430 3.663 0 40 FHAB Cc1ccc(NC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 56353169 MMLQOVSXVMEMHI-UHFFFAOYSA-N 372.856 3.926 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 22514530 RWLAFKJJCNOJMW-KBXCAEBGSA-N 373.449 3.747 0 40 FHAB COc1ccc(OC[C@@H](O)CN(Cc2ccco2)Cc2cccs2)cc1 35672086 WCWGKARDJZPVIR-INIZCTEOSA-N 373.474 3.792 0 40 FHAB O=S(=O)(NCCC(c1ccccc1)c1ccccc1)N1CCCCCC1 12768191 IDZJALGVTRHYIT-UHFFFAOYSA-N 372.534 3.919 0 40 FHAB Fc1ccc(-n2nnnc2/C=C/Nc2ccc(OC(F)(F)F)cc2)cc1 101003823 ADBYTZKXQVMBKN-MDZDMXLPSA-N 365.290 3.783 0 40 FHAB CN(Cc1nc2ccccc2s1)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 12762077 HXTHAYJNFWWMLM-HNNXBMFYSA-N 358.850 3.912 0 40 FHAB O=C(Cc1ccccc1)NCCC(=O)Nc1cc(Cl)ccc1Cl 12765652 PLXYEQISJMQWNB-UHFFFAOYSA-N 351.233 3.681 0 40 FHAB O=C(c1ccc(Cl)cc1)C1CCN(C[C@H](O)COc2ccccc2)CC1 58414238 PKYZLTBEXDNSFI-IBGZPJMESA-N 373.880 3.675 0 40 FHAB Cc1cc(C)c(NC(=O)CNC(=O)CCCOc2ccccc2C)c(C)c1 24937680 ABCJXIHDIOTERJ-UHFFFAOYSA-N 368.477 3.834 0 40 FHAB O=c1[nH]c(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)nc2ccccc12 28807129 QPKLLSPJGUDACY-UHFFFAOYSA-N 369.837 3.654 0 40 FHAB COc1ccc2cc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c(C)nc2c1 11423844 NCCSAPUTNYWLPN-UHFFFAOYSA-N 355.482 3.591 0 40 FHAB C[C@@H](C(=O)Nc1ncc(Cl)cc1Cl)n1ccc(C(F)(F)F)n1 27973864 YAEHSHFQJFCTPY-LURJTMIESA-N 353.131 3.803 0 40 FHAB O=S(=O)(Nc1ncnc2c1oc1ccccc12)c1ccc(Cl)s1 2622145 DNMDQIKUGMACSK-UHFFFAOYSA-N 365.823 3.892 0 40 FHAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccccc2F)n1-c1ccccc1 3409766 NNQLHHMGMPSFOK-LBPRGKRZSA-N 356.426 3.834 0 40 FHAB Cc1[nH]c2ccc(C(=O)OCC(=O)N[C@H](C)c3ccccc3)cc2c1C 3442340 XCNLXDNWXGSCII-OAHLLOKOSA-N 350.418 3.819 0 40 FHAB C[C@H](Sc1nnc2ccccn12)C(=O)Nc1ccc(F)cc1Cl 3505510 IBOCETUDCDFCTJ-VIFPVBQESA-N 350.806 3.641 0 40 FHAB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(C)cc2)n2ncnc2N1 3906635 WBGGYIPUVBEGCE-GOSISDBHSA-N 352.438 3.751 0 40 FHAB C[C@@H](c1ccccc1F)N(C)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 63809586 WNXHOYZZKOWPPU-JTQLQIEISA-N 357.410 3.970 0 40 FHAB CN(C)c1cc(C[S@@](=O)c2ccc(Cl)cc2)nc(-c2ccccn2)n1 4060052 XXDXXAQQPGBXDQ-VWLOTQADSA-N 372.881 3.566 0 40 FHAB COc1ccc2c(c1CC=C(C)C)O[C@H]1c3ccc(O)cc3OC[C@@]21O 4098607 ZHPYEBFYLDGZKF-LEWJYISDSA-N 354.402 3.623 0 40 FHAB endogenous,in-man O=c1n(Cc2ccccc2Cl)c2sc3c(c2c2ncnn12)CCCC3 4295838 CXMQSCNDPBVQEJ-UHFFFAOYSA-N 370.865 3.686 0 40 FHAB COc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccccc2C)cc1 4369321 ZJVDWKKZNKLCQR-AWEZNQCLSA-N 358.463 3.703 0 40 FHAB C[C@H]1CCc2c(sc(NC(=O)Cc3ccccc3Cl)c2C(N)=O)C1 14068320 CFIOEAGLJQJGEG-JTQLQIEISA-N 362.882 3.806 0 40 FHAB Cc1ccc(S(=O)(=O)n2ccc3c2C(=O)[C@@H](C)[C@H]3c2ccccc2)cc1 26897222 NECHEGOFASDHLR-KXBFYZLASA-N 365.454 3.998 0 40 FHAB Cc1cc(C)cc(N2C[C@@H](c3nnc(NC(=O)C(C)(C)C)s3)CC2=O)c1 9199876 DEAWXPATPJERMG-ZDUSSCGKSA-N 372.494 3.660 0 40 FHAB Cc1ccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 14250290 ATEFBWSIMQRYCB-UHFFFAOYSA-N 367.474 3.674 0 40 FHAB COc1ccc(OCCCC(=O)NCCSCc2ccccc2)cc1 14400957 QLXDUSKSDPVJNY-UHFFFAOYSA-N 359.491 3.904 0 40 FHAB COCc1nnc(NC(=O)C2c3ccccc3Oc3ccccc32)s1 4696160 CJSGVEYQSWDSBG-UHFFFAOYSA-N 353.403 3.561 0 40 FHAB COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(F)cc3)C(C)C)cc2c1 9233819 ASNLISIMGLOOHW-UHFFFAOYSA-N 368.408 3.727 0 40 FHAB CC(C)C[C@@H](CNC(=O)c1ccc(-c2ccccc2)cc1)N1CCOCC1 22611748 IYCNTHNANCDLAZ-QFIPXVFZSA-N 366.505 3.830 0 40 FHAB COC(=O)C1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1 6881230 WJSAIFUGANUXQS-UHFFFAOYSA-N 350.871 3.849 0 40 FHAB CC(C)(C)c1ncc(NC(=O)N2CCO[C@H](c3cccc(F)c3)C2)cn1 67282220 FVZRHNHZEJGFNB-INIZCTEOSA-N 358.417 3.519 0 40 FHAB Cc1cccc(N2CCN(C(=O)CSc3ccccc3F)C[C@H]2C)c1 5939212 AVJPPJBBICDTCK-MRXNPFEDSA-N 358.482 3.964 0 40 FHAB COC(=O)c1cccc(NC(=O)/C=C/c2cc3cc(OC)ccc3o2)c1 67339533 TXXYDZVJLVIHSF-VQHVLOKHSA-N 351.358 3.880 0 40 FHAB C[C@H](Sc1ccccc1)C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1 7187225 HPIUBJQUJKPBPP-KSSFIOAISA-N 355.459 3.730 0 40 FHAB COc1ccc2[nH]cc(CCn3c(=S)[nH]c4ccccc4c3=O)c2c1 9625927 QAMPLJVAZVYHCJ-UHFFFAOYSA-N 351.431 3.792 0 40 FHAB O=C(Nc1ccncc1)c1ccccc1OCc1nc(-c2ccccc2)no1 33012866 FKZKTVMHEYYKIW-UHFFFAOYSA-N 372.384 3.963 0 40 FHAB COc1ccc(-c2[nH]ncc2[C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 9337741 NGCFCGNXITXIEO-HXUWFJFHSA-N 360.417 3.814 0 40 FHAB CN(C(=O)Cc1ccccc1)c1ccccc1C(=O)NC1CCCCC1 8375211 YJUSHQDWQKKPAN-UHFFFAOYSA-N 350.462 3.955 0 40 FHAB O=C1CC[C@@]2(C(=O)Nc3ccc4c(c3)CCC4)Sc3ccccc3N12 17578358 UXKVRYZVZBQQPU-FQEVSTJZSA-N 350.443 3.743 0 40 FHAB Cc1ccc(OC[C@@H](C)NC(=O)C2(c3ccccc3)CCOCC2)cc1 67087766 CSUUEMLQWZYZSE-GOSISDBHSA-N 353.462 3.627 0 40 FHAB Cn1c(S[C@@H]2CCCCC2=O)nnc1-c1cccc(Br)c1 8705631 OYORCBHEJBQLSF-CYBMUJFWSA-N 366.284 3.848 0 40 FHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(C)Cc2ccco2)cc1 8745026 ICADXOOCEULMGJ-UHFFFAOYSA-N 373.412 3.559 0 40 FHAB Cn1cc([C@@H]2C[C@H]2C(=O)Nc2ccnn2Cc2cccc3ccccc23)cn1 72277081 KMWMKVIESPNODN-VQTJNVASSA-N 371.444 3.560 0 40 FHAB Cc1nnc(COC(=O)C2(c3ccc(Br)cc3)CCCC2)o1 84291516 DRXGAICSUPXDBU-UHFFFAOYSA-N 365.227 3.696 0 40 FHAB C[C@H]1CN(C(=O)NCCc2csc(-c3ccccc3)n2)CC(C)(C)O1 175662030 OBUSPBHQKTVGGS-AWEZNQCLSA-N 359.495 3.562 0 40 FHAB Cc1ccc(NC(=O)C2=Cc3ccccc3OC2)c(OC[C@H]2CCCO2)c1 89623782 GVLHKWOBMGDXEG-GOSISDBHSA-N 365.429 3.967 0 40 FHAB O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccc(Cl)cc1 20528495 UORKFMTYRCYEEW-UHFFFAOYSA-N 355.810 3.759 0 40 FHAB COCCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C 28497831 VQMUXEBRNAWWQF-DEDYPNTBSA-N 365.477 3.771 0 40 FHAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1 408701775 FOAFBLQHMRWYCS-UHFFFAOYSA-N 352.843 3.662 0 40 FHAB COc1ccc(C(C)C)cc1S(=O)(=O)NCc1ccc(Cl)cc1 408701374 WWNFQWFQBBTWCF-UHFFFAOYSA-N 353.871 3.951 0 40 FHAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN1C(=O)c1cccnc1 33094088 AHQTVBHJNDZPFX-HNNXBMFYSA-N 364.232 3.632 0 40 FHAB Cc1cc(OCc2ccc([C@H]3N[C@@H](C(=O)O)CS3)o2)ccc1Cl 36624042 XJESZXOUKUJGHR-HIFRSBDPSA-N 353.827 3.609 0 40 FHAB Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 72346090 XSUJEWDBQOGYHK-MRXNPFEDSA-N 368.456 3.761 0 40 FHAB CCS(=O)(=O)Nc1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cc1 216384566 ORYQZLANRGZCHP-LJQANCHMSA-N 374.506 3.965 0 40 FHAB CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1Br 37383649 ROZRKCRKCYTFCR-UHFFFAOYSA-N 354.269 3.660 0 40 FHAB COc1ccc(CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 35313152 YKBVBPAATGWSQE-UHFFFAOYSA-N 367.445 3.561 0 40 FHAB O=C(O)[C@H](c1cccnc1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 563282825 UEOQRPLYWFMYBB-BBRMVZONSA-N 367.232 3.667 0 40 FHAB COc1ccc([C@@H](C)NS(=O)(=O)Cc2c(F)cccc2Cl)cc1 44843617 SDSXBNAEIDHVMG-LLVKDONJSA-N 357.834 3.668 0 40 FHAB Cc1ccccc1OC[C@H](C)NC(=O)COc1cccc(C(F)(F)F)c1 225813632 ACUMSFIWWHSHTO-AWEZNQCLSA-N 367.367 3.976 0 40 FHAB COc1ccc(C)cc1NC(=O)Cn1ccc(=O)c2c(C)cc(C)cc21 225756001 XGAICRZRBRJXPA-UHFFFAOYSA-N 350.418 3.574 0 40 FHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1 224977600 BGBSVYPFXCZHID-OALUTQOASA-N 366.505 3.951 0 40 FHAB COc1ccccc1CCCNC(=O)Cc1cccc(Br)c1 225620397 NGKLUUFDZJIJAM-UHFFFAOYSA-N 362.267 3.749 0 40 FHAB CC(C)(C)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1 41105647 ZZOVSQQJKSXQGU-UHFFFAOYSA-N 360.317 3.921 0 40 FHAB CC(C)c1ccccc1OCC(=O)N(C)Cc1nc(-c2ccccc2)no1 222814477 FJLAWQGGBYCTCM-UHFFFAOYSA-N 365.433 3.897 0 40 FHAB COc1ccc(C)cc1N(C)S(=O)(=O)c1ccc(Br)cc1 224730403 OMSVPLXZRGJQPP-UHFFFAOYSA-N 370.268 3.591 0 40 FHAB CCOC1CC2(CCN(C(=O)N[C@H](c3ccc(OC)cc3)C3CC3)C2)C1 576727468 LVWYBXXQBNBOBQ-SCCNAQOGSA-N 358.482 3.747 0 40 FHAB O=C(c1cscn1)N1CC2(CCN(Cc3cccc(Cl)c3)CC2)C1 96203015 CEQIFNIFWCEYEI-UHFFFAOYSA-N 361.898 3.535 0 40 FHAB O=c1nc2n(c3ccccc13)CC/C2=C/c1cc(Br)ccc1O 96562038 IAVSPZUUGBYUKZ-LUAWRHEFSA-N 369.218 3.809 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc4c(c3)COC4)cc2F)n1 92052100 ACLLGMDWPJYKCD-UHFFFAOYSA-N 351.381 3.911 0 40 FHAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@]2(O)CCC(=O)O 253524978 QIZQZYDEIVNNAA-UORBNBSKSA-N 362.510 3.906 0 40 FHAB CCCn1nccc1-c1cc(C)nc([C@@H]2CCCN2C(=O)C(C)(C)C)n1 257199707 AAOMQQVKXPXKKV-KRWDZBQOSA-N 355.486 3.768 0 40 FHAB Cc1ncc(C(=O)N2CCC[C@H](Cc3ccc4ncccc4c3)CC2)cn1 257202249 ALAZEXSLCUTTHR-KRWDZBQOSA-N 360.461 3.818 0 40 FHAB CO[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H](C)C1)C1CC1 1769667390 ZDVGNUPDYIPUPN-KHYOSLBOSA-N 372.488 3.525 0 40 FHAB COC(=O)[C@H]1CCc2nnc([C@@H](C)Oc3ccc4ccccc4c3)n2CC1 601043654 GUKMPBZVFSVPNB-ZBFHGGJFSA-N 365.433 3.697 0 40 FHAB Cc1cnn(C)c1C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 1124414074 YZKOMRODCJNMCR-SFHVURJKSA-N 358.445 3.772 0 40 FHAB c1cc(C2CC2)nnc1OCC1CCN(Cc2nc3c(s2)CCC3)CC1 1775995670 DJEKZZUGZZLPJR-UHFFFAOYSA-N 370.522 3.590 0 40 FHAB Cc1csc(NC(=O)c2c(Br)c3ccccc3n2C)n1 48289395 VFJOMSDBZXLOQJ-UHFFFAOYSA-N 350.241 3.958 0 40 FHAB Cc1cccc(NC(=O)CN2CCC(c3nnc(C(C)C)o3)CC2)c1C 49377103 OSUUJUBQEGYRSF-UHFFFAOYSA-N 356.470 3.628 0 40 FHAB COc1ccccc1NS(=O)(=O)c1cc(Br)ccc1C 18707135 CBAVXNRZNQSVCT-UHFFFAOYSA-N 356.241 3.567 0 40 FHAB COc1cccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c1O 1016199 AEOOLSCXUXAGAW-OQLLNIDSSA-N 359.378 3.776 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)OCc2ccccc2)c(C)c1 5542339 GUTXDRKRJSXMOS-SFHVURJKSA-N 370.474 3.954 0 40 FHAB O=S(=O)(NCc1ccccc1OC(F)F)c1ccc2c(c1)CCCC2 14208457 KAUFXWAAMYOBEI-UHFFFAOYSA-N 367.417 3.645 0 40 FHAB Cc1cc2nc(C)c(CCC(=O)N3CC[C@H](c4ccccc4)C3)c(C)n2n1 19657194 OTZILRGKRQYESV-IBGZPJMESA-N 362.477 3.603 0 40 FHAB Cn1cnc2cc(C(=O)NCCc3cn(C)c4ccc(Cl)cc34)ccc21 19666062 WZHPHJNYTCQTJQ-UHFFFAOYSA-N 366.852 3.691 0 40 FHAB Cc1nnc(S/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(=O)O)[nH]1 6329728 YCBJSRIZMXCHDN-YBEGLDIGSA-N 354.435 3.738 0 40 FHAB FC(F)c1ccc(-c2noc([C@H]3CN(Cc4ccccc4)CCO3)n2)cn1 664959116 XHOWGMGRLVEYEG-MRXNPFEDSA-N 372.375 3.643 0 40 FHAB Cn1cnc2c(NCc3cccc(NC(=O)Nc4ccccc4)c3)ncnc21 590770567 AHAIBQOXHORECC-UHFFFAOYSA-N 373.420 3.619 0 40 FHAB O=C(c1ccc2cc[nH]c2c1)N1C[C@H](c2ccccc2)[C@@H](c2ncon2)C1 245070491 QMDSHDYLJDGHTF-MSOLQXFVSA-N 358.401 3.574 0 40 FHAB O=C(N[C@H](c1cccs1)C1CCOCC1)[C@@H]1CCc2ccccc2O1 1565523151 GRGFKLRXKJSSPP-HKUYNNGSSA-N 357.475 3.726 0 40 FHAB CC(C)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 825718 SHZKKQCJIMGABE-FQEVSTJZSA-N 354.475 3.599 0 40 FHAB COc1ccc(CC(=O)OCc2cc(-c3cccs3)on2)cc1OC 7550615 UDMBAQHINMVAMG-UHFFFAOYSA-N 359.403 3.706 0 40 FHAB O=C(Nc1ccccc1)Nc1nc(C(=O)NCc2ccc(F)cc2)cs1 9317161 JYPKMPMKNXIJON-UHFFFAOYSA-N 370.409 3.856 0 40 FHAB CC(C)c1ccc(S(=O)(=O)NCCCc2ccc(N(C)C)cc2)cc1 11693699 NVSFLPUDTJXZDX-UHFFFAOYSA-N 360.523 3.787 0 40 FHAB Cc1ccc(Cn2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2=O)cc1 15883138 RRIHBYGMPXEEMD-UHFFFAOYSA-N 354.356 3.736 0 40 FHAB Cc1cc(O[C@H]2CCCN(C(=O)c3cc4ccccc4o3)C2)nc(C)n1 575610841 YYENSNARJBDEQZ-INIZCTEOSA-N 351.406 3.523 0 40 FHAB O=C(NC[C@@H]1CCCN1c1ccccc1)c1ccccc1Br 207992261 KMGJLKRVCIFIEB-HNNXBMFYSA-N 359.267 3.848 0 40 FHAB O=C(NCc1cccc2ccccc12)NC[C@@](O)(c1cccs1)C1CC1 75155360 NGIZCYHIEUIARI-NRFANRHFSA-N 366.486 3.998 0 40 FHAB Cc1onc(-c2ccccc2Cl)c1C(=O)N=c1[nH]c2ccccc2[nH]1 5387183 FXXAKMHJSWKECJ-UHFFFAOYSA-N 352.781 3.854 0 40 FHAB O=C1CCCN1c1cc(C(=O)N2CCC[C@@H]2c2ccncc2)ccc1Cl 40051034 YYVFWQUEJXVOPO-QGZVFWFLSA-N 369.852 3.839 0 40 FHAB Cc1noc(C)c1CSCC(=O)N1CCCc2c(F)cc(F)cc21 40090393 LBYOEXHQKKGLDJ-UHFFFAOYSA-N 352.406 3.782 0 40 FHAB COc1ccc(OCCNC(=O)N[C@H]2CCSc3ccccc32)cc1 40068771 IKFKYSRURSAXRJ-KRWDZBQOSA-N 358.463 3.610 0 40 FHAB CC(=O)N[C@H]1C(=O)N(CCCOc2cccc(C)c2)c2ccc(Cl)cc21 100485775 JAESBMZYXUZILJ-LJQANCHMSA-N 372.852 3.641 0 40 FHAB O=S(=O)(c1ccc(Br)cc1)N1CCCCc2ccccc21 32913171 GQCLUJHNMFPREE-UHFFFAOYSA-N 366.280 3.981 0 40 FHAB CN1CCN(Cc2cccc(C(=O)c3ccc(C(F)(F)F)cc3)c2)CC1 22028050 KDBIWFQGRGCTIJ-UHFFFAOYSA-N 362.395 3.684 0 40 FHAB CCOc1cc(Cl)c(S(=O)(=O)NCCc2ccccc2)cc1Cl 644673 WQUWBAXFKJJAAZ-UHFFFAOYSA-N 374.289 3.913 0 40 FHAB CCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2C)c1 687824 CBRCEIHZFOTZBV-UHFFFAOYSA-N 366.870 3.507 0 40 FHAB COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(F)cc3)cc12 1901950 MJYZOYSYQMQLPL-UHFFFAOYSA-N 372.348 3.903 0 40 FHAB biogenic COc1cccc(C(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)c1 2239532 XEIZKBPTYYJRDU-UHFFFAOYSA-N 350.370 3.552 0 40 FHAB CCc1ccc(NC(=O)[C@H](C)OC(=O)CCOc2ccc(C)cc2)cc1 2633738 QMJXWHKHVMMDGE-INIZCTEOSA-N 355.434 3.897 0 40 FHAB COc1ccc(NCN2C(=O)S/C(=C\c3cccc(F)c3)C2=O)cc1 3112330 DNLWXMOECUKVAK-YBEGLDIGSA-N 358.394 3.940 0 40 FHAB CCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)o1)c1ccccc1 3459159 ADRRCXVWVQBXHP-UHFFFAOYSA-N 369.446 3.890 0 40 FHAB O=C(COC(=O)c1ccccc1Br)Nc1ccc(F)cc1F 3506961 GTYSNJXTONBWCN-UHFFFAOYSA-N 370.149 3.523 0 40 FHAB CCn1c(S[C@@H](C)C(=O)NCc2ccc(OC)cc2)nc2ccccc21 4484476 JSJCTVJYYUBRCC-AWEZNQCLSA-N 369.490 3.862 0 40 FHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(C)o2)n2ncnc2N1 4724035 PVCJVWFWWYLAJY-SFHVURJKSA-N 363.421 3.724 0 40 FHAB O=C(COC(=O)c1ccc2c(c1)OCCO2)c1cccc(C(F)(F)F)c1 5018560 JVVXDWAGMUKEKQ-UHFFFAOYSA-N 366.291 3.516 0 40 FHAB Cc1cccc(C)c1NC(=O)c1cccn(Cc2cccc(F)c2)c1=O 5268821 CBLWIJLTDICDLB-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB O=C(Nc1cc(F)ccc1F)c1ccccc1I 5676976 CXDROHLEPROCKW-UHFFFAOYSA-N 359.113 3.822 0 40 FHAB O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1cccc(F)c1 6251167 PVYGIQNNKGNVLO-UHFFFAOYSA-N 359.209 3.965 0 40 FHAB COc1ccc(OC)c(NC(=O)[C@@H](C)SCCOc2ccccc2)c1 6560367 FARGJVSYYPRKIQ-CQSZACIVSA-N 361.463 3.843 0 40 FHAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1sc2ccccc2c1Cl 6852100 OXXNJTNKZFBLON-AWEZNQCLSA-N 370.861 3.607 0 40 FHAB CCOc1c(Br)cc(CNCc2ccncc2)cc1OC 6870200 OFNIZRQAAWRZMY-UHFFFAOYSA-N 351.244 3.541 0 40 FHAB CCc1noc(C)c1C(=O)OCC(=O)Nc1cc(C(C)(C)C)ccc1OC 6945064 RBDPUHXKBIWHMU-UHFFFAOYSA-N 374.437 3.647 0 40 FHAB CCN(C(=O)CSc1nnc(Cc2ccccc2)n1C)c1ccccc1 6950719 YFDXOUKZXHVYLS-UHFFFAOYSA-N 366.490 3.551 0 40 FHAB CCn1c(SCc2nc3c(C)cccc3c(=O)[nH]2)nc2ccccc21 7153981 SMMDYVMNZUUUGK-UHFFFAOYSA-N 350.447 3.893 0 40 FHAB COc1ccc(F)cc1-c1csc(CC(=O)NCc2ccccc2)n1 8103477 LTZGVYXNFAZRKH-UHFFFAOYSA-N 356.422 3.817 0 40 FHAB COc1ccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1Cl 8135310 FMJQWAZUXWODGR-UHFFFAOYSA-N 358.825 3.657 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2cccnc2)s1 8279003 FPMFKLXUSNAYRY-SNVBAGLBSA-N 360.826 3.660 0 40 FHAB Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)Nc1nccs1 8567068 JXIZLAMACYUKEP-SNVBAGLBSA-N 355.257 3.928 0 40 FHAB O=C(Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2)c1ccc(F)cc1F 9037976 DTLDDMURVPZPJT-UHFFFAOYSA-N 356.372 3.512 0 40 FHAB Cc1ccc(N2C[C@H](CNC(=O)NCc3ccc(Cl)cc3)CC2=O)cc1 9040519 RRFSQOLWDVXTRF-INIZCTEOSA-N 371.868 3.501 0 40 FHAB Cc1ccc(-n2nc(C)c3c2NC(=O)C[C@H]3c2ccc(C(=O)O)cc2)cc1 9576980 JOFHVKWAPGLGFB-KRWDZBQOSA-N 361.401 3.661 0 40 FHAB O=C(OCc1ccc(F)cc1Br)c1ccc2c(c1)OCO2 9733862 UCZVSUJRZWOKMV-UHFFFAOYSA-N 353.143 3.674 0 40 FHAB CSc1ccc(S(=O)(=O)NCCSCc2ccccc2F)cc1 10281702 AXKQWFUYUDAQDC-UHFFFAOYSA-N 371.524 3.759 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCC2)cc1 10369432 BKSOUEATGQTNJW-UHFFFAOYSA-N 365.477 3.675 0 40 FHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)[C@@H]3C[C@@H]3C)cc2N1 12181356 BISQCRGCBIDFLI-PGKPSXLWSA-N 370.419 3.900 0 40 FHAB COc1cccc(CC(=O)OCc2nc(-c3cccc(Cl)c3)no2)c1 12355283 LMARRCYYBJCQBE-UHFFFAOYSA-N 358.781 3.685 0 40 FHAB Cc1[nH]c(=S)sc1CC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 12547745 DHHZTEKPPLTMTN-LLVKDONJSA-N 358.492 3.720 0 40 FHAB O=C(CC[C@H]1Cc2ccccc2NC1=O)NCCSCc1ccccc1 12756917 QBLGTLHQQWEZFS-SFHVURJKSA-N 368.502 3.627 0 40 FHAB O=C(CN1CCc2ccccc2C1)NCC(c1ccccc1)c1ccccc1 12791183 DCNRKILGCFMRNC-UHFFFAOYSA-N 370.496 3.993 0 40 FHAB CSc1ccc(/C=C/C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 13141798 RFOVJLYMJCWNFS-OUSUJMKMSA-N 361.507 3.906 0 40 FHAB Cn1cc(-c2cc(-c3cnn(C)c3)n(-c3cc(Cl)cc(Cl)c3)n2)cn1 17076390 IXLHNSCJOWQMNU-UHFFFAOYSA-N 373.247 3.980 0 40 FHAB CCc1nn2c(C)c(C(=O)OC(C)C)nnc2c1-c1ccc(Cl)cc1 20797765 WAPFRIYKDYEMQO-UHFFFAOYSA-N 358.829 3.881 0 40 FHAB Cn1nnnc1NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 22112095 LNNRCVZWTKAICD-UHFFFAOYSA-N 364.236 3.708 0 40 FHAB C[C@@H]1C[C@H]1C(=O)NCC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1 23188263 BOMFBAHHHGUYGS-IUODEOHRSA-N 371.506 3.818 0 40 FHAB COC(=O)C[C@H](NC(=O)Cc1ccc2c(c1)CCCC2)c1ccc(C)cc1 24490817 FTPICJLBHGAFKR-NRFANRHFSA-N 365.473 3.837 0 40 FHAB O=C(Nc1ccc(Cl)cc1F)[C@@H]1CCCN(C(=O)c2ccco2)C1 24987234 UIAHLJILZKLQSD-LLVKDONJSA-N 350.777 3.563 0 40 FHAB CCOc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1 25106846 GAIWYKHTRCENNQ-KPZWWZAWSA-N 374.820 3.857 0 40 FHAB Cc1ccc(NC(=S)N[C@@H](C)[C@H](c2ccccc2)N2CCOCC2)cc1 25329500 JTMQPHASPXIUHE-FXAWDEMLSA-N 369.534 3.743 0 40 FHAB CCCCN(CC)c1nc(CN2CCOCC2)nc2sc3c(c12)CCC3 25425775 PPNOPADBLUBFBP-UHFFFAOYSA-N 374.554 3.639 0 40 FHAB COc1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c(OC)c1 27970428 XIVQCTLCTLNQGG-UHFFFAOYSA-N 365.433 3.818 0 40 FHAB CN(C)Cc1ccc(CNC(=O)c2cccc(NC(=O)C(C)(C)C)c2)cc1 28022575 ITVXCQWLYARHIK-UHFFFAOYSA-N 367.493 3.663 0 40 FHAB CC(=O)c1cccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)c1 29472005 CRPOFQWKSRSLEI-UHFFFAOYSA-N 353.353 3.650 0 40 FHAB COc1cccc([C@@H](NC(=O)c2cc(C)c(C)s2)c2nccn2C)c1 29987276 SLHHPLDVMHTJGG-QGZVFWFLSA-N 355.463 3.626 0 40 FHAB CCOC(=O)C1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CC)CC1 32611349 BCCWJAZPGMZGFY-UHFFFAOYSA-N 356.466 3.693 0 40 FHAB Cc1ccccc1CN1CCN(C(=O)c2cccc3c2O[C@H](C)[C@@H]3C)CC1 32820191 BLZYUBLYNKUZEK-ZWKOTPCHSA-N 364.489 3.837 0 40 FHAB CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc(C)ccn1 32843882 FLEFVEJAEFFTAZ-CRAIPNDOSA-N 355.438 3.670 0 40 FHAB CC(C)c1ccc(NC(=O)[C@H](NC(=O)COc2ccccc2)C(C)C)cc1 32999832 QPJQPYZXCQOHNV-OAQYLSRUSA-N 368.477 3.968 0 40 FHAB Cc1ccc(NC(=O)CSCc2cc(=O)c3cccc(F)c3[nH]2)cc1 33063828 SCSCFBHLJNDPAA-UHFFFAOYSA-N 356.422 3.848 0 40 FHAB Cc1cc(C)cc(OCCC(=O)NCC(=O)Nc2cccc(Cl)c2C)c1 40060257 LXWKITXZFWBGHV-UHFFFAOYSA-N 374.868 3.789 0 40 FHAB CCN(CC)CCN(CC(C)C)C(=O)/C=C/c1cc(OC)ccc1OC 40089847 ACRDTECBAOQKCZ-FMIVXFBMSA-N 362.514 3.543 0 40 FHAB O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccc2c(c1)CCCC2 40122133 FJQPWOLRBXGLHN-NRFANRHFSA-N 362.473 3.659 0 40 FHAB CN(C)[C@@H](CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1ccsc1 40141902 BFQAERCCXKVXIO-KRWDZBQOSA-N 374.897 3.620 0 40 FHAB Cc1cc([C@@H](C)NC(=O)c2nc(N3CCCC3)ncc2Cl)c(C)s1 40141944 WETWBPPKFQIRAP-LLVKDONJSA-N 364.902 3.900 0 40 FHAB COc1ccc(C(=O)NCCn2ccc3ccc(Cl)cc32)cc1OC 40819763 WOPMRPSWLGULGZ-UHFFFAOYSA-N 358.825 3.742 0 40 FHAB Cc1ncsc1C(=O)Nc1nc(CN2C[C@@H](C)C[C@H](C)C2)cs1 43286184 PUDZUVPXNDLSKU-QWRGUYRKSA-N 350.513 3.638 0 40 FHAB O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)N1CCOCC1 43620952 LNHHECFDPJKZDI-UHFFFAOYSA-N 372.277 3.905 0 40 FHAB Cn1cc(-c2nc(C(=O)NCc3ccc(Cl)cc3Cl)cs2)cn1 44818268 GEQRAGYEUQPXJD-UHFFFAOYSA-N 367.261 3.780 0 40 FHAB C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 45904037 FDGQRRNQIVSATP-OLZOCXBDSA-N 361.825 3.756 0 40 FHAB NC(=O)c1ccc(NCC(=O)Nc2cccc(Oc3ccccc3)c2)cc1 46170222 OXFZNHNSSJVHNJ-UHFFFAOYSA-N 361.401 3.628 0 40 FHAB O=C(NC1CC1)c1cccc(OC(=O)c2cc(F)c(F)cc2Cl)c1 46603290 QLCXVFLAENZLGC-UHFFFAOYSA-N 351.736 3.730 0 40 FHAB COc1c(C)cnc(CNC(=O)N2CCCCC[C@H]2c2ccncc2)c1C 51755599 QQHCVBIPMOLNAN-IBGZPJMESA-N 368.481 3.929 0 40 FHAB Cc1ccc(NC(=O)C2CC2)cc1NCC(=O)N[C@H](C)c1ccc(F)cc1 55849237 RIBVQOPQJHBQTA-CQSZACIVSA-N 369.440 3.772 0 40 FHAB CCn1cnnc1-c1cccc(NC(=O)NCCO[C@H]2CCCC[C@@H]2C)c1 58310837 JVQMKKQCJYNRMC-YJBOKZPZSA-N 371.485 3.682 0 40 FHAB Cc1cc2c(cc1CNC(=O)c1ccc3c(c1)CCCC3)OCCCO2 64987226 VYGMLGODLMPLOU-UHFFFAOYSA-N 351.446 3.965 0 40 FHAB C[C@H](CNC(=O)NCc1ccc2c(c1)OCO2)c1nc2ccccc2s1 69559040 GFNFZDCYAWRHSG-GFCCVEGCSA-N 369.446 3.628 0 40 FHAB O=C(Nc1cccnc1)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 69915006 PODMJASEFXTAIQ-UHFFFAOYSA-N 373.478 3.973 0 40 FHAB CC(C)(C)c1noc(CCCC(=O)N(C[C@H]2CCOC2)c2ccccc2)n1 69951446 POAVTCNWMQSPIV-MRXNPFEDSA-N 371.481 3.760 0 40 FHAB CCN(CC)Cc1ccccc1CNC(=O)CN(CC)c1ccccc1 70010775 VHTJBFZDDNJMRV-UHFFFAOYSA-N 353.510 3.671 0 40 FHAB Cc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4ccc(=O)[nH]c4)C3)n2)c1 72349903 LQBKAMLDSBOMNS-IBGZPJMESA-N 373.456 3.765 0 40 FHAB CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(C)C)C1 72395937 QMNJPKAERDBZSS-OAQYLSRUSA-N 355.482 3.511 0 40 FHAB C[C@@H]1CCN(C(=O)COc2ccc3c(c2)CCC(=O)N3)[C@H](c2ccco2)C1 75389034 ROVXEUKTNQQSOD-KDOFPFPSSA-N 368.433 3.543 0 40 FHAB Cc1cc(C)nc(SCc2ccc(C(=O)NC[C@H]3C[C@@H]4C=C[C@H]3C4)o2)n1 79480935 OPSQNQOLEHMVQV-OWCLPIDISA-N 369.490 3.921 0 40 FHAB CCOC(=O)C[C@@H](NC(=O)c1scnc1C1CC1)c1ccc(F)cc1 89782004 AEFLCYLSCSJDAU-CQSZACIVSA-N 362.426 3.584 0 40 FHAB CC(C)[C@H](C(=O)Nc1cccc2c1ccn2C)N1Cc2ccccc2C1=O 95479168 CLFFNSGJECCLMZ-HXUWFJFHSA-N 361.445 3.797 0 40 FHAB biogenic O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc2cc[nH]c2c1 95479305 DPMQUNMVGOKPBJ-UHFFFAOYSA-N 351.425 3.701 0 40 FHAB COc1cccc(-c2ccc3nc(C4CCN(CC5CC5)CC4)nn3c2)c1 96038237 RIQKBSUHCNCOKM-UHFFFAOYSA-N 362.477 3.994 0 40 FHAB O=C(c1ccccc1F)N1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 96109322 WNVOVAKKVXRMEW-UTKZUKDTSA-N 354.425 3.680 0 40 FHAB O=C(/C=C/c1cc(Br)cs1)Nc1cccc2c1OCO2 97238654 DMGCRQZXNYCYOV-SNAWJCMRSA-N 352.209 3.891 0 40 FHAB CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cn1 151524803 ZHOHPXDEVJIODF-UHFFFAOYSA-N 360.841 3.821 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 218974541 BMCIWHJQOGMLRJ-CYBMUJFWSA-N 371.824 3.782 0 40 FHAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 222518209 WYDRRCNGKUMRQC-MRXNPFEDSA-N 372.896 3.744 0 40 FHAB COc1ccc(C(=O)NCc2ccco2)cc1COc1ccccc1OC 224239324 MLVXFXRQYUOPHE-UHFFFAOYSA-N 367.401 3.806 0 40 FHAB Cc1cc(OCC(=O)NCc2cccc(CN3CCCC3)c2)ccc1Cl 224618206 YCFYKWVBFYCAKK-UHFFFAOYSA-N 372.896 3.939 0 40 FHAB CO[C@@]1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCC[C@H](C)C1 225635062 HDUUDDQKRIJQIP-UWJYYQICSA-N 360.498 3.695 0 40 FHAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 225643323 NGHMQIBAQOOTIP-IDTSFGKNSA-N 374.849 3.925 0 40 FHAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC)c(C(=O)OC)c1 225841928 QDXHGHJZAUHUHW-LJQANCHMSA-N 351.443 3.796 0 40 FHAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2cccc(C)c2)cc1 225869035 LUIFEJAEVLIZCR-STZFKDTASA-N 374.440 3.984 0 40 FHAB Cc1ccc(OCC(=O)Nc2cc(N)ccc2N2CCCCC2)c(C)c1 226253066 HYBYYMORMXPAIB-UHFFFAOYSA-N 353.466 3.893 0 40 FHAB O=C(N1CC[C@@H](n2cc(C3CC3)nn2)C1)C1(c2cccs2)CCCC1 240068162 SLBQXDDEWZTZBS-OAHLLOKOSA-N 356.495 3.502 0 40 FHAB CC(C)n1nccc1-c1ccc(C[C@H]2CCN(C(=O)C(C)(C)C)C2)cn1 257272102 NBBRHLFSLVEGPH-QGZVFWFLSA-N 354.498 3.963 0 40 FHAB O=C(N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1)N1CCc2ccccc21 329111563 QWVAPMDKXNHWOF-UHFFFAOYSA-N 373.460 3.834 0 40 FHAB CSc1nc(N2CCCCC2)c2cc(C(=O)NC(C)(C)C)sc2n1 408621739 PITOWBRIKHHCOO-UHFFFAOYSA-N 364.540 3.932 0 40 FHAB O=C(c1ccc2ncsc2c1)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 585148754 CLUMJHFYPQFSAR-MRXNPFEDSA-N 350.443 3.861 0 40 FHAB FC(F)(F)c1cccc(OCC2CCN(Cc3cccnc3)CC2)n1 585532058 MBVIRGMLJKCLKE-UHFFFAOYSA-N 351.372 3.786 0 40 FHAB Nc1ncnc2cc(C(=O)N3CC4(CCCC4)c4c(F)cccc43)ccc12 667747652 BJLYOUCBALGQQO-UHFFFAOYSA-N 362.408 3.823 0 40 FHAB Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccsc2)c2ccco2)c1C 675007773 ORQQRMCDEZLOOQ-MRXNPFEDSA-N 368.458 3.845 0 40 FHAB O=C(O)[C@@H]1CCC[C@H](C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)C1 679392628 CMLSSADNSLIGCU-BBWFWOEESA-N 354.450 3.765 0 40 FHAB CC(C)n1nc(-c2ccccc2)cc1NC(=O)Nc1cnn(CCF)c1 685939095 BOGAPWPGBKWGKW-UHFFFAOYSA-N 356.405 3.941 0 40 FHAB O=C1NCCN1c1cccc(C(=O)N2CCC[C@@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)c1 1251523766 XEGHYBHRKSKRSG-PBWTXFEYSA-N 367.493 3.647 0 40 FHAB C[C@]1(NC(=O)c2ccc(N3CCCCCC3)cc2)CCCC[C@@H]1C(=O)O 1604591356 AFOIROMIGROOOH-NQIIRXRSSA-N 358.482 3.830 0 40 FHAB Cc1nc(C(=O)N2CCC[C@]23CN(c2ccc(F)cc2)C(C)(C)C3)co1 1615125205 ZWYBSCSEXXOBHK-FQEVSTJZSA-N 357.429 3.786 0 40 FHAB Cc1cc(OC[C@H]2CCCN(C(=O)c3nc4ccccc4s3)C2)ccn1 1775970726 QAWGHDPGDUTHNS-HNNXBMFYSA-N 367.474 3.931 0 40 FHAB CC(C)OC(=O)NC[C@@H]1CCC2(CCN(CC3CCCCC3)CC2)CO1 2056225579 RYBSAZHIYWCNOO-IBGZPJMESA-N 366.546 3.963 0 40 FHAB CCc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)O)cc1 80796 HCMTWVWSTHQKRG-LJQANCHMSA-N 350.418 3.792 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc(C)n2-c2ccccc2)c1C 897337 WGBRQRJZZKYNEN-UHFFFAOYSA-N 352.463 3.923 0 40 FHAB CCOC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 3092832 UITKRNHIJPLEEZ-UHFFFAOYSA-N 353.447 3.513 0 40 FHAB COC[C@@H]1CN(c2noc3cc(OCCCC(F)(F)F)ccc23)C(=O)O1 3929387 SQMNCLANJWZZOG-NSHDSACASA-N 374.315 3.521 0 40 FHAB COc1cccc(C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)c1OC 4079166 YCIKKCRRASBKCG-UHFFFAOYSA-N 361.467 3.654 0 40 FHAB CCC[C@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 6946978 ZPUPHHHOUGUELD-INIZCTEOSA-N 374.506 3.739 0 40 FHAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)c1ccc(Cl)s1 3280789 KLADVCLTPDCZJR-UHFFFAOYSA-N 372.759 3.957 0 40 FHAB O=c1cc(-c2ccco2)[nH]c2nc(SCc3ccc(Cl)cc3)nn12 101981619 HEPALFCLIHZHOI-UHFFFAOYSA-N 358.810 3.623 0 40 FHAB Cc1cc(C)c2c(N)c(-c3nnnn3-c3ccc(Cl)cc3)sc2n1 53994104 NTVBCJVPXIWLPW-UHFFFAOYSA-N 356.842 3.791 0 40 FHAB CCOc1ccc(NC(=O)c2cc(O)nc3ccccc23)cc1OCC 12787829 WSSOZXBSEFUOPY-UHFFFAOYSA-N 352.390 3.990 0 40 FHAB CC[C@@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(C)cc1 12755504 JTHOZFWMJMEQIQ-LJQANCHMSA-N 364.445 3.525 0 40 FHAB CC(C)c1ccc(O)c(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c1 58228234 SHAUDOAQVWSQPO-UHFFFAOYSA-N 362.470 3.645 0 40 FHAB CCc1ccc(C(=O)CCC(=O)NCc2noc(-c3cccs3)n2)cc1 58294004 KPYDCJOSFZYSFQ-UHFFFAOYSA-N 369.446 3.640 0 40 FHAB COc1ccc(NC(=O)c2ccc(CSc3nccn3C)cc2)cc1 10392810 OSJGXAHGXREAAG-UHFFFAOYSA-N 353.447 3.973 0 40 FHAB Cc1cccc(Nc2nnc(SCC(=O)N3CCC(C)CC3)s2)c1 3302885 WYLKMRGOWAAZAZ-UHFFFAOYSA-N 362.524 3.941 0 40 FHAB Cc1ccc(C)c(OCCN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)c1 3301157 HPMODJOSEMNKCB-HXUWFJFHSA-N 372.852 3.803 0 40 FHAB CC[C@H](C)NC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc12 2221025 BFOYPPXAEBJJGI-AWEZNQCLSA-N 373.460 3.993 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccnn1Cc1ccccc1 28291057 PESROXPJCMDUSV-KRWDZBQOSA-N 353.397 3.867 0 40 FHAB Cc1nc2cc(NC(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)ccc2o1 36395437 AUQFDWFLDOKHAF-CJNGLKHVSA-N 363.417 3.684 0 40 FHAB Cc1cccc(NC(=O)CSc2nncn2CCc2cccs2)c1C 10958226 HCXSZJULMGMMSG-UHFFFAOYSA-N 372.519 3.930 0 40 FHAB Cc1cc(NC(=O)[C@H](C)Sc2nc(Cc3ccccc3)c(C)[nH]2)no1 9114794 XZKSVNDHHUEXEY-ZDUSSCGKSA-N 356.451 3.725 0 40 FHAB COc1ccccc1-n1c(S)nnc1-c1cccc(Br)c1 2372547 KNOZEFQQUREWSR-UHFFFAOYSA-N 362.252 3.994 0 40 FHAB O=C(OCc1csc(-c2ccco2)n1)c1ccccc1N1CCCC1=O 36661772 RQCMSQJUPVQKFV-UHFFFAOYSA-N 368.414 3.887 0 40 FHAB CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](c2ccccc2)C2CC2)c1 36638323 YSNXJLJLIOSTRS-QGZVFWFLSA-N 363.866 3.625 0 40 FHAB COc1ccc([C@H]2C[C@H](c3ccccc3Cl)n3nc(N)nc3N2)cc1 2409192 AUSQOHWKPBLYFN-HZPDHXFCSA-N 355.829 3.669 0 40 FHAB Cc1cc2occ(CC(=O)Nc3cccc(C(=O)N(C)C)c3)c2cc1C 12819435 SNAVVZSSKOBBMU-UHFFFAOYSA-N 350.418 3.933 0 40 FHAB CC(C)C(=O)N1CCC[C@H](C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)C1 46197258 YSJZLKQMELWNPL-RDJZCZTQSA-N 356.466 3.847 0 40 FHAB CC[C@@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(OC)cc1 24616141 ITNFFEJEIMNSQK-GOSISDBHSA-N 355.434 3.667 0 40 FHAB COc1cc(OC)c(C2=CCN(C(=O)c3ccc(C)o3)CC2)c(OC)c1 11918272 RIJSPDJPLWEXQH-UHFFFAOYSA-N 357.406 3.543 0 40 FHAB CC(=O)Nc1cccc(NC(=O)COc2cccc(C(F)(F)F)c2)c1 10860179 QLCFPWIDNORTKI-UHFFFAOYSA-N 352.312 3.681 0 40 FHAB C[C@H](NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cc2ccccc2o1 46690739 MXXAUJTYMPIJNX-DOTOQJQBSA-N 369.465 3.538 0 40 FHAB Cc1cc(C)cc(OCC(=O)N2CCN(c3cccc(C)c3C)CC2)c1 3613587 NSJIIYMCPHBEGY-UHFFFAOYSA-N 352.478 3.648 0 40 FHAB Cc1nc2c3ccccc3nc(SCc3cn4cccc(C)c4n3)n2n1 13229586 FAHCXMODUZRUHP-UHFFFAOYSA-N 360.446 3.834 0 40 FHAB O=C(O)c1cc2ccccc2cc1NS(=O)(=O)c1ccccc1Cl 13263020 ACLSKYXANCBJLW-UHFFFAOYSA-N 361.806 3.992 0 40 FHAB CC(=O)Nc1cccc(NC(=O)CN(C2CC2)[C@@H]2CCc3ccccc32)c1 72580395 KKFSTHPACLZJFX-OAQYLSRUSA-N 363.461 3.735 0 40 FHAB CC(C)(Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc2c(c1)OCCO2 13327426 ALUPRJMREWDBPL-UHFFFAOYSA-N 353.418 3.743 0 40 FHAB COc1cc(OC)c(N[C@@H](C)C(=O)Nc2ccccc2F)cc1Cl 9253185 UGMAWILKAJKNJB-JTQLQIEISA-N 352.793 3.935 0 40 FHAB CCNC(=O)NC1CCC(OC(=O)Cc2c(C)[nH]c3ccc(C)cc23)CC1 84791070 ZVBXGBYKKQIYII-UHFFFAOYSA-N 371.481 3.501 0 40 FHAB Cc1nc(-c2cccc(NC(=O)COC(=O)c3c(C)noc3C)c2)cs1 9315982 XUWZAWPFNMSNNY-UHFFFAOYSA-N 371.418 3.519 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnnn1-c1cccc(F)c1 5220001 PBNXZOJRROIJHK-UHFFFAOYSA-N 367.409 3.566 0 40 FHAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCc2ccc(N3CCCC3=O)cc2)o1 14139736 SOQOEORWIBFXSZ-KXBFYZLASA-N 366.461 3.779 0 40 FHAB c1cc(CNCc2ccnc(N3CCCCC3)c2)c2c(c1)OCCCO2 65611079 YIJHXPSNTNZPRV-UHFFFAOYSA-N 353.466 3.523 0 40 FHAB O=C(COc1ccc2ccccc2c1)Nc1cccc(C(=O)NC2CC2)c1 14482082 WKRWTQSLHLANPK-UHFFFAOYSA-N 360.413 3.750 0 40 FHAB CCN(CC)CCNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 4672332 XOZPJGNUSMCWHZ-UHFFFAOYSA-N 367.493 3.590 0 40 FHAB Nc1nnc(Sc2c(-c3ccccc3)c3ccccc3[nH]c2=O)s1 4742078 IUECLPYCLNMKNT-UHFFFAOYSA-N 352.444 3.780 0 40 FHAB CCCCCC(=O)Nc1ccc(N2CCOCC2)c(C(=O)OCCC)c1 4711593 XEEXTHXJMAYXPI-UHFFFAOYSA-N 362.470 3.609 0 40 FHAB Cc1cc(C(=O)CSc2cccc[n+]2[O-])c(C)n1Cc1ccccc1 5780147 GSJBSJTVIBCBBH-UHFFFAOYSA-N 352.459 3.762 0 40 FHAB CCOC(=O)c1cnc(C)c(NC(=O)[C@H]2SCCc3ccccc32)c1 95453919 SLWSVNGQDVLSOW-KRWDZBQOSA-N 356.447 3.536 0 40 FHAB C[C@H](OC(=O)c1ccc(O)cc1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 7164910 SXQQZCJBQRROGC-ZDUSSCGKSA-N 369.417 3.805 0 40 FHAB COc1ccc2nc(SCC(=O)c3ccc4c(c3)OCCCO4)[nH]c2c1 7219982 PJPQPQVYVAVZOU-UHFFFAOYSA-N 370.430 3.708 0 40 FHAB COc1c(C)cccc1C(=O)Nc1ccc(I)cc1 408621256 LBNZKKYDJALONR-UHFFFAOYSA-N 367.186 3.861 0 40 FHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nc2ccccc2c(=O)n1C1CC1 7859980 KLTAVEGFJWEMSS-ZIAGYGMSSA-N 371.506 3.613 0 40 FHAB COC(=O)C[C@H](NC(=O)CCC(=O)c1ccc(C)c(C)c1)c1ccccc1 8198251 ZJXVTRKTUPYPRZ-IBGZPJMESA-N 367.445 3.687 0 40 FHAB C[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1cc2ccccc2o1 8156300 VOIFGCFENDSTGZ-HNNXBMFYSA-N 362.429 3.980 0 40 FHAB Cc1ccc(Cn2ncc3c(C(=O)Nc4cc(C)on4)cc(C)nc32)cc1 9609365 MQHRTZRGVQUHCA-UHFFFAOYSA-N 361.405 3.645 0 40 FHAB CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)[C@H]3C[C@H]3c3ccco3)cc21 84140079 CLAQZDVYPPYEJD-CABCVRRESA-N 368.433 3.793 0 40 FHAB O=C(Cc1csc(-c2cccs2)n1)NCc1nc2ccccc2[nH]1 8746460 RRVPMJBQNJKSPN-UHFFFAOYSA-N 354.460 3.607 0 40 FHAB CN(Cc1ccccc1)[C@H]1CCCN(CC(=O)Nc2ccc(F)cc2)CC1 89361358 ICXDSFKFHYLEEB-NRFANRHFSA-N 369.484 3.751 0 40 FHAB O=C(OCCNc1ncnc2ccccc12)c1ccc(-c2ccncc2)o1 89872932 YIGYNWLJVLMQMV-UHFFFAOYSA-N 360.373 3.554 0 40 FHAB C[C@H](C(=O)NCc1cccs1)[S@](=O)Cc1cccc2ccccc12 75495968 AHHPWPDNADQRJZ-SHACYNPGSA-N 357.500 3.855 0 40 FHAB O=C(NCc1cccc(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 408707782 DZQFBWZBCOJAJV-UHFFFAOYSA-N 356.731 3.614 0 40 FHAB CN(CCOc1ccc(Cl)cc1)Cn1c(=O)oc2cc(Cl)ccc21 24045786 ADQXDAJKVKRXRY-UHFFFAOYSA-N 367.232 3.870 0 40 FHAB COc1ccccc1CNC(=O)C1(c2ccc(Br)cc2)CC1 24733481 ZYINJLWBFFTOJU-UHFFFAOYSA-N 360.251 3.806 0 40 FHAB Cc1ccccc1C[C@@H]1CCCN1CC(=O)N[C@H]1CCOc2ccccc21 514181564 BGXPVEVDYQEIQN-FPOVZHCZSA-N 364.489 3.642 0 40 FHAB O[C@@H](COc1ccccc1-n1ccnc1)CO[C@@H]1CCCc2ccccc21 550175325 XNZKNZKQDAGDIZ-WIYYLYMNSA-N 364.445 3.706 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1CC(O)=Nc2c1c(=O)[nH]n2C(C)C 71280705 NMBZSGMNCCXSAK-OAHLLOKOSA-N 365.437 3.683 0 40 FHAB O=C(c1cnccn1)N1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 72349188 NXVZTJXZPXIYKU-OAHLLOKOSA-N 362.408 3.698 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1 219066495 CNKDTZXVBOZWPK-DLBZAZTESA-N 357.450 3.663 0 40 FHAB COc1ccc(NC(=S)NCCSCc2ccco2)c(OC)c1 225347466 QSOGVJCKLYYQMU-UHFFFAOYSA-N 352.481 3.517 0 40 FHAB COc1ccc(S(=O)(=O)NCc2cccc(Cl)c2)cc1C(C)C 223739775 GUKXROKZDKHYJF-UHFFFAOYSA-N 353.871 3.951 0 40 FHAB CCCCOc1ccc(NC(=O)[C@@](C)(CC)OC)cc1C(=O)OCC 225790778 CAXWRSYIEOMXLS-LJQANCHMSA-N 351.443 3.796 0 40 FHAB CCCC(=O)N(Cc1cccc(OC)c1)[C@H](CC)C(=O)NC1CCCC1 224564779 CILRCWBOOJHTNY-LJQANCHMSA-N 360.498 3.661 0 40 FHAB Cc1ccc2nc(CO[C@H]3CN(C(=O)Nc4ccccc4)C[C@H]3F)[nH]c2c1 96112081 HECXUAYLIIRDMB-QAPCUYQASA-N 368.412 3.642 0 40 FHAB biogenic,in-vitro O=C1N[C@@H](Cc2nc(C3CCCC3)nn2CC(F)(F)F)c2ccccc21 91656754 GSTOJGJOHMPBFI-AWEZNQCLSA-N 364.371 3.525 0 40 FHAB Cc1ccc(CN2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)s1 96056434 YUYLUMOJRIHOFA-MISYRCLQSA-N 358.507 3.790 0 40 FHAB O=C(Cc1cccs1)N1CCC2(CC1)C[C@H](Oc1ccccc1)CO2 96221838 WROJWFBFFPEVGL-KRWDZBQOSA-N 357.475 3.520 0 40 FHAB Cn1cc([C@H]2CCCCN2C(=O)c2ccc(O[C@@H]3CC3(F)F)cc2)cn1 529096947 LHIPWMXWUHMULQ-IAGOWNOFSA-N 361.392 3.574 0 40 FHAB Cc1nc([C@@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)O)o3)C2)no1 257250080 JKYDEPBNCYURPM-CQSZACIVSA-N 367.405 3.716 0 40 FHAB Cc1ccsc1CN1CC2(C[C@@H](OCC3CCOCC3)CS2)C1 253599703 SVRSSAHSTMDHIL-MRXNPFEDSA-N 353.553 3.560 0 40 FHAB COc1cccc(-c2nc(N3CC[C@H](O)C(F)(F)C3)c3ccccc3n2)c1 664262605 ZROUNHDEZLCYOQ-KRWDZBQOSA-N 371.387 3.512 0 40 FHAB Fc1cc(N2CCN(CCCOc3cccc4ccccc34)CC2)ccn1 1307782459 CEXIOAQRRFKUAZ-UHFFFAOYSA-N 365.452 3.965 0 40 FHAB O=C(c1ccc(Cn2cccc2)cc1)N1CCN(CC2CCCCC2)CC1 1318296524 RYDRJOQKDJBPJL-UHFFFAOYSA-N 365.521 3.875 0 40 FHAB c1cc(-c2nnc(CCc3nc(-c4ccoc4)no3)o2)c2cccnc2c1 1326238170 LMPBVGAITGYCEC-UHFFFAOYSA-N 359.345 3.713 0 40 FHAB O=C(c1ccncc1)N1CCC[C@]2(CCCN2Cc2cccc(F)c2)CC1 585100697 TWTOOAJMPTWONU-QFIPXVFZSA-N 367.468 3.882 0 40 FHAB Cc1cccc(N=c2cncc(C3CCN(C[C@H]4CC=CCC4)CC3)[nH]2)n1 585176622 AIGZRRCARNRZON-SFHVURJKSA-N 363.509 3.881 0 40 FHAB CC(C)C(=O)Nc1nc(CC(=O)N2CCc3ccc(Cl)cc32)cs1 58724567 XHCLSNSZSJKZJZ-UHFFFAOYSA-N 363.870 3.523 0 40 FHAB COc1cc(OC)c(NC(=O)C2CCN(CC(C)C)CC2)cc1Cl 40150778 KOOURWDFPWKCSE-UHFFFAOYSA-N 354.878 3.664 0 40 FHAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(C[C@H]2CCCO2)CC1 57606372 YPXAHTYGBGWDMG-OAHLLOKOSA-N 374.868 3.537 0 40 FHAB CC(C)Oc1ccc(C(=O)N2CCC(CSc3nccn3C)CC2)cc1 90608168 HYCXJVXFEICLHG-UHFFFAOYSA-N 373.522 3.852 0 40 FHAB CCn1c(S[C@@H](C)C(=O)NCc2ccccc2)nnc1-c1ccccc1 5311832 ANUKVMXHPKVVRM-HNNXBMFYSA-N 366.490 3.762 0 40 FHAB Cc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(C)c(Cl)c3)n2)cc1 5451942 DRKHYTGRSIHWJA-UHFFFAOYSA-N 353.809 3.755 0 40 FHAB Cc1ccc(-c2noc(CCC(=O)Nc3nnc(C(C)C)s3)n2)cc1 16966039 ZNZKJXRZADXNGB-UHFFFAOYSA-N 357.439 3.591 0 40 FHAB Cc1ccc2[nH]cc([C@H](O)CN3CCN(c4ccccc4Cl)CC3)c2c1 19220568 AMEBLQLJCCJZJW-OAQYLSRUSA-N 369.896 3.985 0 40 FHAB c1ccc(N2CCCCC2)c(CN2CCC(Oc3cnccn3)CC2)c1 19658688 BCHDKVDKTZYATO-UHFFFAOYSA-N 352.482 3.510 0 40 FHAB O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 206789545 DKFQFXLOJRJKAI-CQSZACIVSA-N 368.334 3.640 0 40 FHAB COc1cccc([C@H]2CN(C(C)=O)[C@@H]3CCN(Cc4ccccc4)C[C@H]23)c1 19019445 LTYQWYIOWNAHML-DNVJHFABSA-N 364.489 3.532 0 40 FHAB O=C(c1cccc(Oc2ccccn2)c1)N1[C@H]2CC[C@H]1c1cncnc1C2 244986260 JNARJYKLHRLGIG-KXBFYZLASA-N 358.401 3.566 0 40 FHAB COc1ccc(N=c2oc3ccc(Br)cc3cc2C(N)=O)cc1 245226138 IZIPEGZJVXLNJW-UHFFFAOYSA-N 373.206 3.535 0 40 FHAB CCCCC(=O)Nc1nnc(SCC(=O)Nc2ccc(C)cc2)s1 4077755 VQGPBHGMGVIVLL-UHFFFAOYSA-N 364.496 3.706 0 40 FHAB CCN(CCCNC(=O)C(=O)c1c(C)[nH]c2ccccc12)c1ccccc1 4062362 OGTQLANNSSTRRV-UHFFFAOYSA-N 363.461 3.692 0 40 FHAB COc1cccc(C(=O)N2CCN=C2SCc2ccccc2F)c1OC 4120524 XZNUUKOKMRDVDD-UHFFFAOYSA-N 374.437 3.588 0 40 FHAB Cc1ccc(NC(=O)c2cccn(Cc3ccccc3F)c2=O)c(C)c1 5270408 HDOTZWSWVABCSC-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB CN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(OC(F)F)cc1 40103177 GPPJVFQOFIMHLX-UHFFFAOYSA-N 350.321 3.681 0 40 FHAB COc1cccc(NC(=O)CSCc2nc(-c3ccccc3)no2)c1 32778893 JLRBPCTUYHTXHE-UHFFFAOYSA-N 355.419 3.617 0 40 FHAB COc1ccc(OC)c(COC(=O)c2ccccc2NC(=O)NC(C)C)c1 32777642 DUTFZFZEQOMEJX-UHFFFAOYSA-N 372.421 3.591 0 40 FHAB CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)Nc1nc3c(s1)C[C@H](C)CC3)[C@H]2C(=O)O 102404906 QMRSLUGJUPOTJO-OIPARRNGSA-N 374.506 3.900 0 40 FHAB COc1cc(NC(=O)c2ccn(-c3ccccc3)n2)c(OC)cc1Cl 33155490 FHORXYCBXSCRLD-UHFFFAOYSA-N 357.797 3.795 0 40 FHAB CCOC(=O)c1cnc2ccccc2c1Nc1ccc(C(=O)OC)cc1 706844 QSTQTYWMBHFCNC-UHFFFAOYSA-N 350.374 3.942 0 40 FHAB CCN1C(=O)[C@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 915127 JQYAFHLZVZOUGV-QFIPXVFZSA-N 351.446 3.811 0 40 FHAB CCOc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 1016172 XXYAECRMLRHHIL-ZDUSSCGKSA-N 358.825 3.730 0 40 FHAB O=C(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 1336810 HZXNPUZZRGKFCZ-UHFFFAOYSA-N 363.866 3.624 0 40 FHAB Cc1nc2oc3c(NC[C@@H]4CCCO4)ncnc3c2c2c1COC(C)(C)C2 2239645 MLLIYHMCHJFJJJ-LBPRGKRZSA-N 368.437 3.522 0 40 FHAB C[C@H](OC(=O)COc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1 2309519 CXJGQKZTXXJFJB-NSHDSACASA-N 368.216 3.943 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)N1CCc2ccccc21 3219441 MUOGBUSPAMHVQO-UHFFFAOYSA-N 373.836 3.630 0 40 FHAB CCOC(=O)c1c(NC(=S)NC(=O)C2CCCC2)sc(C)c1C 3258895 GKJBDCVENHFRHG-UHFFFAOYSA-N 354.497 3.545 0 40 FHAB CCOCCSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F 3270176 GIIHLAZINKQKSW-UHFFFAOYSA-N 362.401 3.793 0 40 FHAB O=C(CSc1ncc(C(F)(F)F)cc1Cl)NCc1ccco1 3290402 IJNPPOKZDDPRAS-UHFFFAOYSA-N 350.749 3.755 0 40 FHAB COC[C@H](C)n1c(C)cc(C(=O)COC(=O)/C=C/c2cccc(F)c2)c1C 3309060 NPZQVZPJNZKCBY-HVHJFMEUSA-N 373.424 3.891 0 40 FHAB CCOc1cc(C(=O)Nc2cccnc2)cc(Br)c1OC 3344721 WOCXQLFWVAKDNG-UHFFFAOYSA-N 351.200 3.504 0 40 FHAB Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)o1 3407956 KBXGSTJKHBXDJW-CMDGGOBGSA-N 353.296 3.802 0 40 FHAB Cc1cc(-n2c(C)cc(C(=O)COc3ncnc4sccc34)c2C)no1 3497066 XLOTXLCUMBPBCO-UHFFFAOYSA-N 368.418 3.657 0 40 FHAB O=c1oc2c(cc(NS(=O)(=O)c3ccccc3)c3ccccc32)s1 3653665 RFUVHVPIIFUTOA-UHFFFAOYSA-N 357.412 3.809 0 40 FHAB Clc1ccc(-n2nnnc2CN2CCC(Cc3ccccc3)CC2)cc1 4183493 MRDOIZWOVVQTOQ-UHFFFAOYSA-N 367.884 3.770 0 40 FHAB CC(C)(C)c1ccc(COC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 4250134 VWXCKEDKOPHSKL-UHFFFAOYSA-N 364.445 3.897 0 40 FHAB C[C@@]12COc3ccc(Br)cc3[C@@H]1c1sc(=O)[nH]c1SC2 4302809 NCLGKAGYNWJNJI-YGRLFVJLSA-N 370.293 3.835 0 40 FHAB O=C(Cn1ccc2ccccc21)N1CCN(c2cccc(Cl)c2)CC1 4676471 CBLZNKNIOVMODT-UHFFFAOYSA-N 353.853 3.644 0 40 FHAB O=C(c1cccc(Cl)c1)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F 4676641 NBFRMWDNROHTAR-INIZCTEOSA-N 368.742 3.841 0 40 FHAB COc1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2F)n[nH]1 4878740 VIXNHRFIIMUHIB-NSHDSACASA-N 372.425 3.739 0 40 FHAB Cc1cc2oc(=O)sc2cc1NS(=O)(=O)c1cccc2cccnc12 4914193 NPNNMCNSBKIIIV-UHFFFAOYSA-N 372.427 3.512 0 40 FHAB CC1CCC(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)CC1 4979566 UPOIUCHYIFNIDK-UHFFFAOYSA-N 366.461 3.575 0 40 FHAB CC1(C)O[C@H]2CO[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2O1 5063349 ZTORIHMLNGCWDS-DOIPELPJSA-N 370.445 3.665 0 40 FHAB O=C(O)c1ccc2ncc(C(=O)O)c(Nc3cc(Cl)ccc3O)c2c1 5610191 QWZZVFIHCYJBQG-UHFFFAOYSA-N 358.737 3.734 0 40 FHAB O=C(Nc1cccc(Cl)c1)N[C@H](Cc1ccc(Cl)cc1)C(=O)O 5892148 OTUXKZHQBLKNHY-CQSZACIVSA-N 353.205 3.811 0 40 FHAB CCOC(=O)c1c(NC(=O)NCc2ccccn2)sc2c1CCCC2 6669480 YFPJIQWIHJVMCS-UHFFFAOYSA-N 359.451 3.520 0 40 FHAB COc1ccc(-c2noc(CN(C)C(=O)CCC3CCCC3)n2)cc1OC 6757050 LEYUOZLJPCQRPX-UHFFFAOYSA-N 373.453 3.683 0 40 FHAB O=C(Cc1c(F)cccc1Cl)O[C@@H](C(=O)NC1CC1)c1ccccc1 6986995 KILINYYANACKIZ-GOSISDBHSA-N 361.800 3.585 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1OCC 7927707 XHCCXKXSZOXVFW-UHFFFAOYSA-N 355.843 3.938 0 40 FHAB COc1ccc(-c2nnc(SC(=O)Cc3ccccc3)o2)c(OC)c1 7939517 IHAKJBWMAMGEMV-UHFFFAOYSA-N 356.403 3.615 0 40 FHAB Cc1[nH]c2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cn3)cc2c1C 7981732 NAXNCCWVPJWTME-UHFFFAOYSA-N 357.797 3.629 0 40 FHAB CC(=O)N[C@@H]1C(=O)N(CCOc2cccc3ccccc23)c2c(C)cccc21 8047593 BYNVYKCYNUBZOU-NRFANRHFSA-N 374.440 3.751 0 40 FHAB COC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(C)cc1 8090775 IAHYPOOBABHGCG-UHFFFAOYSA-N 357.410 3.647 0 40 FHAB O=C(COc1ccccc1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 8327704 MTCHRZDZUGPLGX-UHFFFAOYSA-N 353.418 3.766 0 40 FHAB COc1cc(SC)ccc1C(=O)NC[C@H](c1ccco1)N1CCCC1 8428970 ICCLXPPYDSFHFP-MRXNPFEDSA-N 360.479 3.577 0 40 FHAB O=S(=O)(c1ccc(Cl)s1)N1CCC[C@H]1c1nc2ccccc2[nH]1 8775882 SHHLDUWNUMVKLZ-LBPRGKRZSA-N 367.883 3.804 0 40 FHAB O=S(=O)(NC[C@H](c1ccsc1)N1CCCCCC1)c1ccccc1 8901273 XMGKBSRRLJXKFP-GOSISDBHSA-N 364.536 3.644 0 40 FHAB CCn1c2ccc(OC)cc2c2nnc(SCCN3CCCCC3)nc21 9061288 DRWDLDCTNGAODU-UHFFFAOYSA-N 371.510 3.586 0 40 FHAB Cc1ccc([C@]2(C)NC(=O)N(Cc3coc(-c4cccs4)n3)C2=O)cc1 9450034 FFTHXIMLCRZTRF-IBGZPJMESA-N 367.430 3.679 0 40 FHAB C[C@@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1ccc(F)cc1 9533098 DGVLALGWISYMAI-LLVKDONJSA-N 373.409 3.547 0 40 FHAB CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccc(C)cc2)C2CC2)cc1 10682668 RJYMHGWIYJFJTO-IBGZPJMESA-N 373.474 3.601 0 40 FHAB Cc1cc(S(=O)(=O)N[C@@H]2CCc3ccccc32)ccc1Br 10752688 VCWPLXYJPSUZCY-MRXNPFEDSA-N 366.280 3.723 0 40 FHAB COc1ccc(-c2cc(C(=O)O)c3nc(-c4ccccc4)[nH]c3n2)cc1O 11694706 CANMQPASZHQVAO-UHFFFAOYSA-N 361.357 3.704 0 40 FHAB O=C(c1ncoc1-c1ccc(F)cc1)N1CCN(c2ccccc2F)CC1 12115089 NNHQTGMXBUHIBF-UHFFFAOYSA-N 369.371 3.582 0 40 FHAB O=C(Cc1cnc(-c2ccccc2F)s1)NC1Cc2ccccc2C1 12390527 MQSCWRQEBGDXMF-UHFFFAOYSA-N 352.434 3.775 0 40 FHAB O=C(CN1CCc2ccccc21)Nc1nc(-c2ccc(F)cc2)cs1 12537726 DVLOTPQHLVVHTB-UHFFFAOYSA-N 353.422 3.950 0 40 FHAB Cc1ccc(C(=O)Nc2cccc3cn[nH]c23)cc1NC(=O)c1ccco1 12754684 LDVCYBZKPNPCHS-UHFFFAOYSA-N 360.373 3.969 0 40 FHAB COc1ccc([C@H]2CCCN2CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 12918157 PSPBAPPKMZWSEN-MGPUTAFESA-N 356.441 3.849 0 40 FHAB NC(=O)c1cc(NC(=O)c2ccc(F)cc2Br)ccc1Cl 13017019 AEQQVORHJHEUCI-UHFFFAOYSA-N 371.593 3.593 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)c(Cl)c1 13069737 OBGIIIOIWAILMT-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB O=C(NC[C@H]1CCCO1)c1cc2ccccc2o/c1=N\c1ccc(F)cc1 13426923 UKTXNECRZOKOFX-PJXFJRINSA-N 366.392 3.713 0 40 FHAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 13947120 CMGLLWRUMFVLBB-KRWDZBQOSA-N 358.507 3.711 0 40 FHAB CCCc1nc2cc(NC(=O)[C@H]3OCOc4ccccc43)ccc2n1C 13996112 RWMITWHBANNNBK-IBGZPJMESA-N 351.406 3.572 0 40 FHAB Brc1ccc(-c2nnc(CSc3nncs3)o2)cc1 14159436 MVFIWLYNSRKOBW-UHFFFAOYSA-N 355.242 3.643 0 40 FHAB O=C(/N=c1\ccccn1Cc1ccccc1)c1cnn(Cc2ccccc2)c1 14180830 CAQONENOTPHHFW-YYDJUVGSSA-N 368.440 3.522 0 40 FHAB CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)/C=C/c2ccccc2)cc1 14831683 QSKNZHKKGUFLIN-MDWZMJQESA-N 367.474 3.808 0 40 FHAB COCc1cc(C)nc2sc(-c3nc(Cc4ccccc4)no3)c(N)c12 15107935 FRELZTKGFQFKND-UHFFFAOYSA-N 366.446 3.974 0 40 FHAB CSc1ncc(C(=O)N2CCc3ccccc32)n1-c1ccc(F)cc1 15326645 UMQYZYRHEMKGII-UHFFFAOYSA-N 353.422 3.936 0 40 FHAB CN(C)Cc1ccccc1CNS(=O)(=O)c1cccc(Cl)c1Cl 15360870 MCHURIPPSPYUHM-UHFFFAOYSA-N 373.305 3.534 0 40 FHAB COc1ccc(N2CCn3c(SCCc4ccccc4)nnc32)cc1 16954003 ONRXPTVANUEKAX-UHFFFAOYSA-N 352.463 3.773 0 40 FHAB O=C1O[C@H](CC(=O)c2ccccc2)C(Nc2ccccc2)=C1Br 17988978 QKBKZLJEBUWXLF-OAHLLOKOSA-N 372.218 3.903 0 40 FHAB CCNc1nnc(SCCCC(=O)Nc2ccccc2C(C)=O)s1 18663551 WSCIKBCCSTWQPM-UHFFFAOYSA-N 364.496 3.684 0 40 FHAB CN1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)[C@H]1CCCCO1 19590803 FQVUGRRMENTATC-BQJUDKOJSA-N 374.500 3.564 0 40 FHAB Cc1nc2ccccn2c1CN1CCC[C@H](c2nc3ccccc3n2C)C1 19714578 CXXVPWCXLOLEAF-KRWDZBQOSA-N 359.477 3.909 0 40 FHAB CCc1ccc2oc(=O)cc(CN3CCN(Cc4ccccc4)CC3)c2c1 20502475 WYDPVVGJZBNUNT-UHFFFAOYSA-N 362.473 3.673 0 40 FHAB Oc1ccccc1-c1nnc(S)n1-c1ccc(OC(F)(F)F)cc1 20745086 CKVAYFDPBFGHDW-UHFFFAOYSA-N 353.325 3.827 0 40 FHAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCc1ccccn1 20898508 LEOIBISZHPTZTH-UHFFFAOYSA-N 354.841 3.527 0 40 FHAB O=C(/C=C/c1ccccc1Cl)NCC1(N2CCOCC2)CCCCC1 22375355 XFSUQOUJGRHDAZ-CMDGGOBGSA-N 362.901 3.505 0 40 FHAB Cc1[nH]c2ccccc2c1CNC[C@H](c1cccs1)N1CCN(C)CC1 22781212 XLOOVGBTBDSMEJ-HXUWFJFHSA-N 368.550 3.616 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)N(C)C[C@H]1COc2ccccc2O1 24662083 VXDMHYBDUFHBMC-INIZCTEOSA-N 366.392 3.594 0 40 FHAB C[C@H](NC(=O)CNC(=O)NCc1ccccc1)c1cccc2ccccc12 24714483 RJNIAUBPAQOGBY-INIZCTEOSA-N 361.445 3.516 0 40 FHAB COc1cc(/C=C/C(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc(OC)c1 24756953 JBSDKVBYUUROKI-HOSRBBHYSA-N 358.463 3.937 0 40 FHAB CCS(=O)(=O)c1ccccc1C(=O)NCCc1ccc(C(C)C)cc1 25158093 XQYGFGSDLLYHMQ-UHFFFAOYSA-N 359.491 3.576 0 40 FHAB COc1cc2c(cc1CNC[C@@H](c1ccco1)N1CCCCC1)O[C@H](C)C2 25355202 XMPLALCPPFBONS-APWZRJJASA-N 370.493 3.928 0 40 FHAB Cc1ccc(C(=O)Nc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)cc1F 31611497 XCGGKUONHQPUAC-CQSZACIVSA-N 366.396 3.783 0 40 FHAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)N3CCC(O)CC3)ccc21 33040080 HKNRAEFPMOEBMJ-HNNXBMFYSA-N 365.477 3.598 0 40 FHAB O=C(Cc1csc(-c2ccccc2F)n1)NCc1cccc(C(=O)O)c1 36357044 OQWJBFJBWJBEFO-UHFFFAOYSA-N 370.405 3.506 0 40 FHAB CC(=O)Nc1ccc(C(=O)Nc2cccc(-n3cc[nH]c3=S)c2)cc1 40087137 QVMRDUDYTJUYRY-UHFFFAOYSA-N 352.419 3.746 0 40 FHAB O=C(NCCNc1ncnc2sc3c(c12)CCC3)c1ccccc1Cl 40091236 FIUPLVASRCPPMO-UHFFFAOYSA-N 372.881 3.675 0 40 FHAB CCc1sc(C(=O)NCCNc2ncccc2C(F)(F)F)cc1C 40152055 WXHVUTRBDCVHJM-UHFFFAOYSA-N 357.401 3.875 0 40 FHAB COc1ccccc1CNC(=O)CCc1nc(-c2ccccc2Cl)no1 41184677 ZVICLZWHORVQEH-UHFFFAOYSA-N 371.824 3.648 0 40 FHAB O=C(C[C@H]1CCCC[C@H]1C(=O)O)c1ccc(I)cc1 43879342 PBRAGIZIEINLNK-DGCLKSJQSA-N 372.202 3.755 0 40 FHAB Cc1noc(-c2csc(S(=O)(=O)N(C)C3CCCCC3)c2)c1C 44890514 BXBWNXMFCMLNFG-UHFFFAOYSA-N 354.497 3.973 0 40 FHAB Cc1c(-c2nc3cc(Cl)ccc3o2)cccc1N1C[C@H](C(=O)O)CC1=O 45887236 AYWAXGGNQQQSGQ-LLVKDONJSA-N 370.792 3.894 0 40 FHAB COc1cc([C@H](C)NC(=O)[C@H]2CCCO2)ccc1OCc1ccccc1 48367408 ZVOTWDZTXSPSSR-HNAYVOBHSA-N 355.434 3.630 0 40 FHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N(C)[C@H](C)c2ccc(C)s2)c1 54584675 IVDFXNVJZMMDOO-GFCCVEGCSA-N 373.478 3.807 0 40 FHAB COc1ccc(C(=O)OCC(=O)Nc2cc(F)ccc2Cl)c(C)c1 57472079 UKYWBFUQKNXQQO-UHFFFAOYSA-N 351.761 3.592 0 40 FHAB COc1cc(CCC(=O)Nc2nc(-c3ccccc3)ns2)cc(OC)c1 57996870 NKCSPEAFSUCBAS-UHFFFAOYSA-N 369.446 3.794 0 40 FHAB CC(C)c1cc(-c2nn3c(Cc4ccc(Cl)cc4)nnc3s2)n(C)n1 61718804 LGWNNZNCUBLECQ-UHFFFAOYSA-N 372.885 3.954 0 40 FHAB COc1ccc(CCCNC(=O)CSCc2ccc(C)cc2)cc1OC 65087087 BPOQHQPGLFVBTP-UHFFFAOYSA-N 373.518 3.994 0 40 FHAB COc1ccc(CN2CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1F 65237669 IVKXITUGSLMUFL-HNNXBMFYSA-N 352.450 3.714 0 40 FHAB O=C(NC[C@@]1(O)CCc2ccccc21)Nc1ccc(Cl)c(Cl)c1 75155797 FQUZCIFDRBQSBD-KRWDZBQOSA-N 351.233 3.949 0 40 FHAB Cc1noc(C)c1CN1CCC[C@](C)(c2nc(-c3ccccc3)no2)C1 75876550 OPWBNEGYMKTRBO-FQEVSTJZSA-N 352.438 3.895 0 40 FHAB COC(=O)Nc1ccc(Nc2cc(-c3ccccc3)nc3ncnn23)cc1 76841143 QWKQTFFWIBDCCK-UHFFFAOYSA-N 360.377 3.713 0 40 FHAB Cc1cccc2[nH]c(CCC(=O)N(CC3CCC3)CC(F)(F)F)nc12 85430081 JQGYBEOBENKYMO-UHFFFAOYSA-N 353.388 3.995 0 40 FHAB c1ccc(COC[C@]23CCCO[C@H]2CCN(Cc2ccsc2)C3)nc1 96040229 YPRXXSKNFOKYLV-VQTJNVASSA-N 358.507 3.731 0 40 FHAB COc1ccc(CN2CCC3(CC2)CCN(Cc2cccnc2)C3)cc1 96046512 QUTOTGDYEFJATB-UHFFFAOYSA-N 351.494 3.578 0 40 FHAB CCCN1CCC2(CC1)CN(C(=O)c1cccnc1)c1ccc(F)cc12 96161058 RGSPIISPDLIVJO-UHFFFAOYSA-N 353.441 3.625 0 40 FHAB COC(=O)C[C@@H](c1ccc(F)c(Cl)c1)c1c(O)ccc2nsnc12 96222961 NKQQJASJWDITEX-VIFPVBQESA-N 366.801 3.884 0 40 FHAB CCC1CCC(NC(=O)C(=O)Nc2ccc(C)cc2Br)CC1 97074673 GYNTUVJBRNGOJO-UHFFFAOYSA-N 367.287 3.781 0 40 FHAB CCOc1ccc(C2=C[C@H](c3ccccc3F)n3nnnc3N2)cc1Cl 102799275 AWZZJPWUMZZGJM-MRXNPFEDSA-N 371.803 3.920 0 40 FHAB COc1ccc(CCN[C@@H]2CCN([C@H](C)c3ccccc3)C2)cc1OC 108095135 SAWRYBBRTMXXEP-YLJYHZDGSA-N 354.494 3.671 0 40 FHAB O=S(=O)(C1CCCCC1)N1CCS[C@H](c2ccccc2F)CC1 219158876 MFLRQYRHFATNNV-KRWDZBQOSA-N 357.516 3.968 0 40 FHAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 222815108 GOSAOZXKNFDHQS-MOPGFXCFSA-N 363.490 3.648 0 40 FHAB CC[C@H](Oc1ccccc1)C(=O)NCCCN1CCCc2ccccc21 222870058 SXSUTLSHRUJTAZ-NRFANRHFSA-N 352.478 3.803 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C)cc1 222926556 QZFXXXKXEDJJTF-MRXNPFEDSA-N 372.896 3.744 0 40 FHAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccs2)N1Cc1cccnc1 223447719 MGQGQKHZDNAGBW-IAGOWNOFSA-N 352.488 3.711 0 40 FHAB CCC(C)(C)NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 224026814 OBNPKFIPFXRMDV-UHFFFAOYSA-N 360.479 3.714 0 40 FHAB Cc1ccc(OCCNC(=O)C2(c3ccccc3)CCOCC2)cc1Cl 224188171 KEACFFMGSHZXFD-UHFFFAOYSA-N 373.880 3.892 0 40 FHAB Cc1ccccc1CN1CCC(C(=O)NCCOCc2ccccc2)CC1 224526974 TVECONXGAKOTKZ-UHFFFAOYSA-N 366.505 3.540 0 40 FHAB CCc1ccc(CC)c(CNS(=O)(=O)c2cc(Cl)ccc2OC)c1 225551269 HAWUACKJWLOULW-UHFFFAOYSA-N 367.898 3.952 0 40 FHAB Cc1cc(C)c(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 225644613 UKEINNSVUYXWPG-UHFFFAOYSA-N 372.490 3.649 0 40 FHAB COc1ccc(C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1C 225673845 QFWWRMBEURZVKP-UHFFFAOYSA-N 351.406 3.634 0 40 FHAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCOCC)nc1C 225886939 FDPPJSNKEUKBPK-LJQANCHMSA-N 352.475 3.729 0 40 FHAB CCCCOC(=O)c1cccc(NC(=O)c2cc(N)ccc2N(C)C)c1 226324145 LGJGZMWFHGDCEK-UHFFFAOYSA-N 355.438 3.544 0 40 FHAB Cc1cccc(OCC(=O)Nc2c(C)cc(N)cc2Br)c1C 227145162 KTXGHKRVGOJSOC-UHFFFAOYSA-N 363.255 3.974 0 40 FHAB Cc1ccc([C@@H](NC(=O)CCN2CCCC[C@H]2C)c2cccnc2)cc1 248138438 DSPBPKLMHZTKCQ-XMSQKQJNSA-N 351.494 3.860 0 40 FHAB Cc1csc(Nc2cccc(C3CCN(C4CCOCC4)CC3)n2)n1 257333864 YDKSNTAYBCEBBU-UHFFFAOYSA-N 358.511 3.949 0 40 FHAB c1ccc(CN2C[C@@]3(CCN(Cc4cccnc4)C3)c3ncccc32)cc1 306126727 FDKPUYOXHRKGSY-QHCPKHFHSA-N 356.473 3.641 0 40 FHAB O=C1CCCC[C@@H]1[C@H]1CCCCCN1C(=O)CCn1cnc2ccccc21 333320550 KZZBOJNAGAUTEB-IEBWSBKVSA-N 367.493 3.957 0 40 FHAB COc1cccc(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)C)cc3)CC2=O)c1 408673676 XMMBMQWGCBSYDO-HNNXBMFYSA-N 367.445 3.951 0 40 FHAB Cc1sc2nc(-c3ccc(I)o3)nc(O)c2c1C 408735371 QUBWSUWKANUYHV-UHFFFAOYSA-N 372.187 3.878 0 40 FHAB Cc1ccc2c(c1)[C@H](CCO)O[C@H]([C@@H](C)c1cc(O)c(C)c(=O)o1)[C@H]2C 514288047 KYRDITCXPNFIBT-MAVFNCMMSA-N 358.434 3.692 0 40 FHAB biogenic,in-vitro CCc1ccc([C@H]2CCCCCN2Cc2cc(=O)n3ccccc3n2)o1 532571961 HGDQQVGJQAXFMF-GOSISDBHSA-N 351.450 3.967 0 40 FHAB O=C([C@@H]1C[C@]12CCc1ccccc12)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 553040342 ADQRARZFRDWHCL-DFMMODLASA-N 373.496 3.922 0 40 FHAB Cn1cc([C@@H]2CN(C(=O)Nc3c(F)cccc3F)Cc3ccccc32)cn1 575620203 RSLNQMJYBXFPHA-INIZCTEOSA-N 368.387 3.878 0 40 FHAB CCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1CCCC1)C2 585106747 HKVQQFSXAARLLQ-JOCHJYFZSA-N 364.493 3.720 0 40 FHAB Cn1cc([C@H]2CN(C(=O)c3ccc4[nH]ccc4c3)Cc3ccccc32)cn1 585409612 QVYNONCXCMILJU-HXUWFJFHSA-N 356.429 3.689 0 40 FHAB O=C(O)[C@H]1CC[C@@H](c2ccccc2)N1C(=O)c1ccc(OC(F)F)cc1 621587521 DPGQNTCKJCKJGD-JKSUJKDBSA-N 361.344 3.719 0 40 FHAB C[C@H](Oc1ccc(NC(=O)c2scnc2C(C)(C)C)cc1F)C(=O)O 630259394 ZFPKHXREPNGSKE-VIFPVBQESA-N 366.414 3.684 0 40 FHAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cc2nccnc2cc1F 684255081 HWNIMIITCBEBHW-IBGZPJMESA-N 352.413 3.865 0 40 FHAB Cc1nccc(CN2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)n1 2037988870 MEAXPAKPVADSNX-UZLBHIALSA-N 354.473 3.804 0 40 FHAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2Cl)n2ncnc2N1 940401 XPXIFTJVKLLKDH-CQSZACIVSA-N 367.236 3.825 0 40 FHAB CCc1nnc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)s1 904307 ZYOQKYONWIYKAB-UHFFFAOYSA-N 368.487 3.894 0 40 FHAB CCOC(=O)c1cc(-c2ccccc2)c(OC)c(=O)nc1-c1ccccc1 1579592 RKMFVSQWOGBUST-UHFFFAOYSA-N 361.397 3.961 0 40 FHAB COC(=O)c1ccoc1COC(=O)C(c1ccccc1)c1ccccc1 23446730 WLTXDROEJVSJDM-UHFFFAOYSA-N 350.370 3.942 0 40 FHAB O=C1N(Cc2ccc(Cl)c(Cl)c2)c2ccccc2C12OCCO2 4105281 ONKIUBBYLWCLLO-UHFFFAOYSA-N 350.201 3.740 0 40 FHAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Cl)c(C(N)=O)c2)cc1 55178675 SZOMAKUDVUJSQO-JTQLQIEISA-N 364.854 3.567 0 40 FHAB COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2)ccc1OCC(C)C 6456401 RYLSRRKWKCPEHB-HNNXBMFYSA-N 371.433 3.914 0 40 FHAB CCc1ccc(-n2c(C)nnc2SCC(=O)N(C(C)C)C(C)C)cc1 6943765 IIWDKEGNFBOYDG-UHFFFAOYSA-N 360.527 3.876 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 7882168 FYLNXISBCYRFML-UKRRQHHQSA-N 372.852 3.897 0 40 FHAB CC(=O)c1ccc(NC(=O)CCn2c(S)nnc2-c2cccs2)cc1 24762502 AYZRATUEKAKCAR-UHFFFAOYSA-N 372.475 3.527 0 40 FHAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccc(-n2ccnc2)nc1 24860443 ZYNXZBXCIAFRJQ-UHFFFAOYSA-N 372.432 3.596 0 40 FHAB O=C(NCc1ccc(Br)cc1)c1cc(-c2cccs2)[nH]n1 57413835 GFDJXFSHHJRCPC-UHFFFAOYSA-N 362.252 3.831 0 40 FHAB O=c1c2ccccc2cnn1C[C@@H](O)Cn1c2ccccc2c2ccccc21 25249143 FDKDDKSJWYYZLU-KRWDZBQOSA-N 369.424 3.566 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1 8041095 FYEMFHXZUKMNNJ-MRXNPFEDSA-N 354.450 3.931 0 40 FHAB O=C(COc1ccc(Cl)cc1Br)NCc1ccc(F)cc1 8265406 JNKRUTUVVFJKNK-UHFFFAOYSA-N 372.621 3.937 0 40 FHAB Cc1c(Cl)cccc1NC(=S)N1CCN(c2ccc(O)cc2)CC1 1440798 XYRGOOPYIAYZCW-UHFFFAOYSA-N 361.898 3.873 0 40 FHAB COc1ccc(CC(=O)Oc2ccccc2Br)c(OC)c1 24549966 BOLZQGPNHSDENC-UHFFFAOYSA-N 351.196 3.614 0 40 FHAB COc1ccc(CCNC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1OC 12796751 RQHXPXQXVCTOEL-CYBMUJFWSA-N 362.857 3.960 0 40 FHAB O=C(Nc1ccc2c(c1)OCCO2)N(Cc1cccnc1)Cc1ccco1 95348946 WMLFQGYGJCQSQS-UHFFFAOYSA-N 365.389 3.680 0 40 FHAB COc1ccc(CC(=O)N[C@H]2CCCc3c2cnn3C(C)(C)C)cc1F 58227265 GSNFCASQRWEALT-INIZCTEOSA-N 359.445 3.522 0 40 FHAB Cc1nc(CN2C(=O)N[C@@](C)(c3ccc(Cl)c(Cl)c3)C2=O)oc1C 58203494 AZHVAAPGJCTOLI-INIZCTEOSA-N 368.220 3.565 0 40 FHAB Cc1cc(NC(=O)CCCNC(=O)c2cccs2)ccc1N1CCCC1 11325834 ZYJBHYZUGJYTFZ-UHFFFAOYSA-N 371.506 3.805 0 40 FHAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cccc(F)c1)O[C@@H](C)C2 12811888 SNINPLQKHZOLSS-QWHCGFSZSA-N 358.413 3.987 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)N[C@@H]1CCSc2ccc(F)cc21 12851460 QZGKROVVRQNHCD-OAHLLOKOSA-N 359.422 3.840 0 40 FHAB C[C@@H](NC(=O)CCCNC(=O)c1ccc(Cl)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102963721 HUZDMXGSUNCYNT-SZXPJGKVSA-N 362.901 3.791 0 40 FHAB O=C1c2cccc3cccc(c23)N1CN1CCO[C@@H](c2ccc(F)cc2)C1 29895639 WJWGDNHUIFMSNG-HXUWFJFHSA-N 362.404 3.970 0 40 FHAB COc1ccccc1-c1n[nH]c(SCc2ccc(OC)c([N+](=O)[O-])c2)n1 26806731 KRNWZMHTNVNOKR-UHFFFAOYSA-N 372.406 3.689 0 40 FHAB O=C(CNCc1ccco1)Nc1ncc(Cc2ccc(Cl)cc2)s1 2887562 ISKQPQWGYRQVJD-UHFFFAOYSA-N 361.854 3.709 0 40 FHAB CC(C)N(CC(=O)N1c2ccccc2NC(=O)C[C@H]1C)Cc1ccccc1 12909995 NBVACZPBDCJARY-QGZVFWFLSA-N 365.477 3.661 0 40 FHAB COc1ccccc1CNC(=O)c1cc(C)nc2c1cnn2C1CCCC1 71285542 XWHZMONLRIAZET-UHFFFAOYSA-N 364.449 3.793 0 40 FHAB CCOc1cccc([C@@H](C)NC(=O)c2ccc3c(O)[nH]c(=S)nc3c2)c1 63341206 ARADDXACDJTBGU-LLVKDONJSA-N 369.446 3.888 0 40 FHAB O=C(Cc1cccc(C(F)(F)F)c1)N1CC[C@](O)(c2ccc(F)cc2)C1 95464362 LSKCPCYERNBTQU-GOSISDBHSA-N 367.342 3.507 0 40 FHAB Cc1ccc(C)c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c1 5019455 DBLNNJJTXLILTL-UHFFFAOYSA-N 372.446 3.515 0 40 FHAB Cc1ccc(NC(=O)COCC(=O)Nc2ccc(Cl)cc2)cc1Cl 13844744 IBJJVVJBXMTCQU-UHFFFAOYSA-N 367.232 3.896 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)CN[C@H](C)c1ccc(CC)cc1 14185774 HMUGHDYTAKDWQU-OAHLLOKOSA-N 354.450 3.715 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)Cc1csc(-c2ccccn2)n1 14109398 JRXPLTXJOCNEKF-ZDUSSCGKSA-N 353.447 3.634 0 40 FHAB O=C(COc1ccc(Cl)cc1)NC[C@H](c1cccs1)N1CCCC1 14246676 SKJWULBECSSGBO-MRXNPFEDSA-N 364.898 3.734 0 40 FHAB COc1ccc(OC)c(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c1 14240870 PFCRQIBTVYDQJH-LJQANCHMSA-N 366.417 3.607 0 40 FHAB COc1cc(NC(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1OC 5577476 GIHLYZSTKBZAJJ-UHFFFAOYSA-N 355.312 3.984 0 40 FHAB COC(=O)[C@@H](Oc1cc(C)cc2oc(=O)c3c(c12)CCC3)c1ccccc1 4747483 PERCLRUAKNOOLQ-FQEVSTJZSA-N 364.397 3.883 0 40 FHAB Cc1ccc(CNC(=O)CCc2c(C)c3ccc(O)c(C)c3oc2=O)cc1 4743360 CCDOCJFWGCLKGA-UHFFFAOYSA-N 365.429 3.673 0 40 FHAB O=S(=O)(c1ccc(Oc2cccc3cccnc23)nc1)N1CCCCC1 5687573 UDQWBHQVOQWIAC-UHFFFAOYSA-N 369.446 3.597 0 40 FHAB CCn1nnc2cc(C(=O)OCc3nc4ccccc4n3C(F)F)ccc21 14901868 UYXDZWSYEFYVCJ-UHFFFAOYSA-N 371.347 3.553 0 40 FHAB COC(=O)c1cnc(NC(=O)C(c2ccccc2)c2ccccc2)s1 9479087 HEECRMSSEYKWCR-UHFFFAOYSA-N 352.415 3.700 0 40 FHAB C[C@H](OC(=O)c1ccccc1OCc1ccccc1Cl)C(=O)NC1CC1 6936251 BAVAQNBHYWJRAI-ZDUSSCGKSA-N 373.836 3.743 0 40 FHAB Cc1c(F)cccc1-n1nnc(C(=O)N[C@@H](C)c2ccc(F)cc2)c1C 67264060 HFKKSJRCKAYIMM-LBPRGKRZSA-N 356.376 3.653 0 40 FHAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 27916770 PHBAWXZBUAXNBM-UHFFFAOYSA-N 352.434 3.964 0 40 FHAB Cc1cc(C)c(OC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)c(C)c1 15604820 YVKSUUCUACAUKP-UHFFFAOYSA-N 366.392 3.824 0 40 FHAB CNC(=O)NC(=O)[C@@H](Nc1cc(C(C)(C)C)ccc1OC)c1ccccc1 7370581 IGXRFLKMSMXVBE-SFHVURJKSA-N 369.465 3.602 0 40 FHAB CCc1ccc(O[C@@H](CC)C(=O)N2CCN(c3ccccc3)CC2)cc1 113969008 OCVMEUHQTVUGOZ-NRFANRHFSA-N 352.478 3.755 0 40 FHAB CCCC(=O)Nc1ccc(O)c(C(=O)C[C@H]2OC(=O)c3ccccc32)c1 7636253 DYGYDJZSPAOQPF-GOSISDBHSA-N 353.374 3.615 0 40 FHAB CCOc1ccc(-c2nonc2NC(=O)c2ccccc2F)cc1OCC 16753013 OOODUCYYBCFYNQ-UHFFFAOYSA-N 371.368 3.925 0 40 FHAB CCOC(=O)c1sc(NC(C)=O)c(C(=O)OCC)c1-c1ccccc1 409118581 OJKBBRHWLALXHE-UHFFFAOYSA-N 361.419 3.727 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3cccs3)n2C)cc1 8748403 UDVTWOMYOPFXGV-CYBMUJFWSA-N 372.519 3.822 0 40 FHAB COc1cc(C2=N/C(=C/c3cccc(C)c3)C(=O)O2)ccc1OC(F)F 96635064 CANCTBRCRQHWLK-NTEUORMPSA-N 359.328 3.950 0 40 FHAB COc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)cc1 8917446 BFCHERDOMKMVQI-NRFANRHFSA-N 368.477 3.661 0 40 FHAB biogenic COc1ccc2cc(/C=C/C(=O)NC3CCN(C(C)C)CC3)ccc2c1 8937819 BNMJENHQQKCXMS-WEVVVXLNSA-N 352.478 3.851 0 40 FHAB CC(C)c1nnc(NC(=O)N[C@@H](C)c2nc3c(s2)CCCC3)s1 72289190 NUPFADUHUGHHGB-VIFPVBQESA-N 351.501 3.880 0 40 FHAB O=C(Cc1ccc(-n2cccc2)cc1)Nc1cccc(C(=O)NC2CC2)c1 24575542 FNJBSWDQQCNTKU-UHFFFAOYSA-N 359.429 3.551 0 40 FHAB O=C(CCc1nc(-c2cccc(F)c2)no1)N[C@H]1CCc2ccccc21 72332177 VRXXQLQHLKLFOV-KRWDZBQOSA-N 351.381 3.612 0 40 FHAB CCCCOc1ccc(/C=C/C(=O)Nc2nc(CC(=O)O)cs2)cc1 62715084 IHZJNRXOFQEWTO-RMKNXTFCSA-N 360.435 3.601 0 40 FHAB Cc1ccc(-n2cccc2/C=c2\sc3nc4ccccc4n3c2=O)c(C)c1 408960786 IYMHNWKFXJAQES-MOSHPQCFSA-N 371.465 3.864 0 40 FHAB Cc1oc(-c2ccccc2)nc1CSc1nc2c(c(=O)[nH]1)CCCC2 4952929 PZZYVYJTEQDIRL-UHFFFAOYSA-N 353.447 3.904 0 40 FHAB O=C(C1CC1)[C@H]1CN(Cc2csc(-c3ccc(Cl)cc3)n2)CCO1 514206464 PTGRJGGCJMBSIS-MRXNPFEDSA-N 362.882 3.643 0 40 FHAB CO[C@H](C)c1nc(CNC(=O)NCC2CCc3ccccc3CC2)cs1 527792645 COARZCTUKYXVAZ-CQSZACIVSA-N 373.522 3.845 0 40 FHAB CCc1ccccc1O[C@H](C)C(=O)NCCCN1CCCc2ccccc21 219297655 SEOIJIZCGSXTJL-GOSISDBHSA-N 366.505 3.975 0 40 FHAB Cc1csc(N(C(=O)CCNC(=O)c2cccs2)c2ccccc2)n1 32716542 RTRHUNWPIPQZJJ-UHFFFAOYSA-N 371.487 3.998 0 40 FHAB COc1cccc(-c2noc(CNC(=O)c3ccc(C(C)(C)C)cc3)n2)c1 75359005 ZDGNKGRUXQXDCI-UHFFFAOYSA-N 365.433 3.973 0 40 FHAB O=C(Nc1ccc(Br)c(Cl)c1)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 217993108 WQBDPEPULFNCMM-HYRRULHTSA-N 370.630 3.564 0 40 FHAB Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c1 30763399 AKQUCYAJSJSFTF-OXQOHEQNSA-N 366.461 3.912 0 40 FHAB Cc1cc(Nc2ccccn2)nc([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 72359978 NSCINHVLUFFONI-SFHVURJKSA-N 373.460 3.943 0 40 FHAB CCOc1ccccc1CCCNC(=O)c1ccc(N2CCCC2=O)cc1 219201945 KPUUWUJTXXGOOL-UHFFFAOYSA-N 366.461 3.575 0 40 FHAB COc1ccc(Oc2nccnc2[C@H]2CCCN(C(=O)C(C)C)C2)cc1 72361913 SBUQZBFVSWGBBI-HNNXBMFYSA-N 355.438 3.640 0 40 FHAB C[C@@H]1CCC[C@@H](C)N1C[C@H](O)COCCOC12CC3CC(CC(C3)C1)C2 41689967 OOGFLUIOEMMFGW-LHZZTNLPSA-N 365.558 3.612 0 40 FHAB CC1(N2CCOCC2)CCN(C(=O)Nc2ccc(C3CCC3)cc2)CC1 529086553 VAYXOFUJVMLTHM-UHFFFAOYSA-N 357.498 3.673 0 40 FHAB COc1cccc(NC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)c1 225820348 BTXFRQRPWHLSFV-UHFFFAOYSA-N 374.853 3.885 0 40 FHAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 223665854 DJXGNKBZXAFMCV-AWEZNQCLSA-N 357.475 3.930 0 40 FHAB Cc1ccc(OCC(=O)NCCCN2CCCc3ccccc32)c(C)c1 222831190 WBJJCTVMTAXSJY-UHFFFAOYSA-N 352.478 3.641 0 40 FHAB COc1ccc(OC)c(C[C@H](Oc2ccc(Cl)c(C)c2)C(=O)O)c1 225115155 VRKWPRBBTOCSMS-KRWDZBQOSA-N 350.798 3.740 0 40 FHAB COc1ccc(CCNc2ccc(C(=O)OC(C)C)cc2N)cc1OC 225414002 LFTKFBGYXDIWCT-UHFFFAOYSA-N 358.438 3.506 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 224667215 SDUXGNFRPIPFRA-IBGZPJMESA-N 366.505 3.789 0 40 FHAB CCOc1ccc(C(=O)N2CCOCC2)cc1COc1ccc(C)c(C)c1 224624272 YGWYDFIDCMXALS-UHFFFAOYSA-N 369.461 3.754 0 40 FHAB COc1ccccc1NC(=O)c1cc(-c2ccc(OC)c(OC)c2)on1 46086604 GRMFEUCVKDHCCF-UHFFFAOYSA-N 354.362 3.620 0 40 FHAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1 224631003 HYUZENCFFRPAHM-OAQYLSRUSA-N 366.505 3.524 0 40 FHAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc3c(c2)OCCO3)cc1C 225790368 HKEWPWJIQXHQJC-OAHLLOKOSA-N 372.490 3.829 0 40 FHAB O=C(Cc1ccc(Cl)cc1F)NCc1ccc(CN2CCCC2)cc1 224516669 KIUHVEQDXAKPLD-UHFFFAOYSA-N 360.860 3.934 0 40 FHAB COc1ccc(/C=C/C(=O)N2CCS/C2=C/c2c(C)noc2C)cc1 225247301 QPLZFDGDYFCMEC-YKIVCEQRSA-N 356.447 3.887 0 40 FHAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1 225838511 ACBCVXYUVDDUPO-LJQANCHMSA-N 351.443 3.794 0 40 FHAB CN(C)C(=O)C[C@H]1CC2(CCN(Cc3ccco3)CC2)c2ccccc21 96161223 JVNLUOXIEWPNOD-KRWDZBQOSA-N 352.478 3.779 0 40 FHAB Cn1cc(-c2cnc(-c3ccccc3)nc2)cc1C(=O)Nc1cccnc1 96037618 SXJJCKZHVXHCLK-UHFFFAOYSA-N 355.401 3.796 0 40 FHAB CO[C@H]1C[C@@H](N(C)Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 585084558 WMACYIDHMCXIQH-OYRHEFFESA-N 362.477 3.603 0 40 FHAB O=C(c1cccnn1)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257307107 SXGSPLDGVJIWKW-KRWDZBQOSA-N 368.824 3.686 0 40 FHAB NC(=O)C1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 26535460 YFHCDXHYYJKCIB-UHFFFAOYSA-N 357.262 3.546 0 40 FHAB O=C(O)c1ccc(CN2CCC[C@H]2c2nccc(C(F)(F)F)n2)cc1 656760312 CDQRWVHLLDPGFN-ZDUSSCGKSA-N 351.328 3.531 0 40 FHAB O=S(=O)(Cc1ccccc1)Cc1cccc(N[C@H]2COC3(CCC3)C2)c1 657968426 XZSZCGGVQXBOHK-HXUWFJFHSA-N 371.502 3.925 0 40 FHAB CC(=O)N(C)[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3F)cc2)C1 97413352 BYRNVUMOJYPJKN-MRXNPFEDSA-N 371.412 3.703 0 40 FHAB Cc1nc(CN2CCC(C(=O)N3C[C@H](C)c4ccccc43)CC2)cs1 109255856 JOIYKVWFBOJXHN-AWEZNQCLSA-N 355.507 3.814 0 40 FHAB CN(Cc1cc(Br)cs1)C(=O)Cc1noc2ccccc12 48069632 XXDAKSDYANCNFF-UHFFFAOYSA-N 365.252 3.853 0 40 FHAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(-c3noc(C)n3)cc2)cc1 75134266 FBIUHWPZQLRSMY-CYBMUJFWSA-N 351.406 3.935 0 40 FHAB Cc1ncc(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)cn1 1615122985 BRAVXYWOJGWYNE-OAQYLSRUSA-N 368.456 3.588 0 40 FHAB CCn1c(S[C@H](C)C(=O)Nc2cccc(C)c2)nc2ccccc2c1=O 5213703 YUHZXYSLSPNJFO-CQSZACIVSA-N 367.474 3.844 0 40 FHAB COc1ccc2[nH]c3nc(SCC(=O)c4ccccc4F)nnc3c2c1 5485436 AMWJCEHFFBOEMS-UHFFFAOYSA-N 368.393 3.629 0 40 FHAB Cc1c(-c2ccccc2)n[nH]c1C(=O)NC(C)(C)CN1CCC[C@@H](C)C1 12143799 WGJISNWLJJQROS-OAHLLOKOSA-N 354.498 3.625 0 40 FHAB COc1cccc(C2(NC(=O)c3ccc(Cn4cccn4)o3)CCCC2)c1 12155322 LILVZHOWSLAUOO-UHFFFAOYSA-N 365.433 3.732 0 40 FHAB COc1cc(OC)cc(C(=O)NCc2cc(-c3ccc(C)cc3)on2)c1 12235534 AWDNHQAXOHSICP-UHFFFAOYSA-N 352.390 3.597 0 40 FHAB O=C(CSCc1nc(-c2ccccc2)no1)Nc1ccc(F)c(F)c1 12920814 VUSHZOWODFYPEO-UHFFFAOYSA-N 361.373 3.887 0 40 FHAB S=C(c1ccc(Br)cc1)N1CCN(c2ccccc2)CC1 13547284 YKJSZFIIJQKSQJ-UHFFFAOYSA-N 361.308 3.947 0 40 FHAB Cc1ccc(C)c(OC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c1C 15960425 YNVQLQLKWNIOSF-IBGZPJMESA-N 351.446 3.608 0 40 FHAB Cc1ccc(CN2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)cc1C 19213986 XSSUOCDDCMSFKV-NRFANRHFSA-N 350.510 3.809 0 40 FHAB Cc1ccc(Cc2ccc([C@H]3CCCN3C(=O)c3ccc(N)nc3)nc2)cc1 19688517 SJOAQUNYRASYSO-OAQYLSRUSA-N 372.472 3.935 0 40 FHAB Cc1nc2ccc(F)cc2cc1C(=O)Nc1cccc(Cn2cncn2)c1 19718315 FBSWRGORZNPIGD-UHFFFAOYSA-N 361.380 3.574 0 40 FHAB Cc1c(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)cnn1C 659232987 SBSOADVBKHCRFE-MRXNPFEDSA-N 362.271 3.689 0 40 FHAB Cc1ccc(NC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)cc1 5278284 DCXMBVZVZZJVOP-UHFFFAOYSA-N 353.809 3.755 0 40 FHAB COc1ccc(Cl)cc1NCC(=O)Nc1ccc(N2CCCC2=O)cc1 11549311 MNHVMZGSBADWES-UHFFFAOYSA-N 373.840 3.526 0 40 FHAB CCCc1nc2c3ccccc3n(Cc3ccc(Cl)cc3)c(=O)n2n1 1889070494 IUKXQXZPOVXIDY-UHFFFAOYSA-N 352.825 3.698 0 40 FHAB CC(=O)Nc1cccc(NC(=O)CN(C)Cc2c(F)cccc2Cl)c1 25222264 JFRNFTPNLJQMQU-UHFFFAOYSA-N 363.820 3.508 0 40 FHAB CCOc1ccccc1C(=O)N1CCN=C1SCc1ccccc1F 4120515 YQQLNAPLRNCLBS-UHFFFAOYSA-N 358.438 3.970 0 40 FHAB CC(=O)c1cccc(NC(=O)c2cccn(Cc3ccccc3C)c2=O)c1 5269161 WCLDUTWCBHZBGE-UHFFFAOYSA-N 360.413 3.660 0 40 FHAB Cc1ccc(NC(=O)[C@H]2[C@@H](c3cccs3)n3ncnc3N[C@@H]2C)c(C)c1 11694941 AVSIXKSRHTWGDQ-KBRIMQKVSA-N 367.478 3.615 0 40 FHAB COc1ccccc1C1(CNC(=O)Cc2ccccc2Cl)CCOCC1 44226383 YOXGESSVUTXSMG-UHFFFAOYSA-N 373.880 3.756 0 40 FHAB O=C(Nc1ccccc1Cn1cccn1)c1ccccc1Br 40090480 ICVDFEHYVZISTI-UHFFFAOYSA-N 356.223 3.946 0 40 FHAB CN(C(=O)CCc1nc(-c2cccnc2)no1)[C@H]1CCCc2ccccc21 40082157 FVQXCQGYLILTCR-SFHVURJKSA-N 362.433 3.600 0 40 FHAB COc1ccc(OC)c([C@@H](O)CNC(=O)Nc2ccc(C(C)C)cc2)c1 40096957 CPXUMLFRURHPEL-SFHVURJKSA-N 358.438 3.682 0 40 FHAB CCCOc1cccc(C(=O)N2CCC(c3nnc4ccccn34)CC2)c1 40145106 VBGMSNICOFLRBV-UHFFFAOYSA-N 364.449 3.538 0 40 FHAB COc1ccc(NC(=O)[C@@H]2CC(O)=Nc3cc(-c4ccccc4)nn32)cc1 20732765 PGDULXLIJBFXIT-KRWDZBQOSA-N 362.389 3.730 0 40 FHAB Cc1nn(C)c(C)c1CCC(=O)N(C)[C@H](C)c1nc2ccccc2s1 32342161 GEHZEKXLZNMBGV-CQSZACIVSA-N 356.495 3.799 0 40 FHAB COc1ccc(OCCOc2ccc(NC(=O)c3ccco3)cc2)cc1 32957736 PVBWXHCEKFRALW-UHFFFAOYSA-N 353.374 3.998 0 40 FHAB COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCO[C@@H](C)C2)cc1 22384979 IQXRMCYGAGOEHW-KRWDZBQOSA-N 363.461 3.769 0 40 FHAB CCOC(=O)Nc1cccc(C(=O)Nc2cc(-c3nnco3)ccc2C)c1 47320343 ZMHKPBUXOPRXGK-UHFFFAOYSA-N 366.377 3.866 0 40 FHAB O=C(NC1CCN(C(=O)C2CCC2)CC1)c1ccc(-c2ccccc2)cc1 61718103 SVXMVGVXRDGVGK-UHFFFAOYSA-N 362.473 3.875 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2cccc(F)c2)o1 928213 JNCXFKVKIVBPRX-GFCCVEGCSA-N 369.421 3.946 0 40 FHAB CCc1nc(SCC(=O)N2CCCC2)c2c3c(sc2n1)CCCC3 1357934 RLCOFGSUTOGSEU-UHFFFAOYSA-N 361.536 3.847 0 40 FHAB Cc1ccc(-n2c(C)nnc2SCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 4835983 BGTUDJSROOWSNF-GJZGRUSLSA-N 358.511 3.766 0 40 FHAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cc(OC)c(OC)cc1C 6349543 BUNOXWSQUISSOG-QGZVFWFLSA-N 374.462 3.780 0 40 FHAB O=c1c2cc(Br)ccc2nc(-c2cccc(Cl)c2)n1O 1382207 GYUZLZSUQLLJAL-UHFFFAOYSA-N 351.587 3.717 0 40 FHAB C[C@H](NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCO2 25597998 MWNUUABBYZPMLO-NSHDSACASA-N 366.339 3.723 0 40 FHAB C[C@@H](NC(=O)c1ccc(CSc2nccn2C)o1)[C@H]1C[C@H]2CC[C@H]1C2 107331370 OXGCRCCHPNTPME-ORIJERBGSA-N 359.495 3.860 0 40 FHAB C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccccc2N(C)C)C1 107340232 VKBNHXRZQXTXJM-SJLPKXTDSA-N 352.482 3.710 0 40 FHAB Cc1ccc(OCC(=O)NCc2ccc(CN3CCCC3)cc2)cc1C 8429985 VUGYRMPMGKYCMK-UHFFFAOYSA-N 352.478 3.594 0 40 FHAB O=C(NCCc1c(F)cccc1F)c1c[nH]c(=S)n1-c1ccccc1 57110359 VFTCESKNBJYXOO-UHFFFAOYSA-N 359.401 3.786 0 40 FHAB O=S1(=O)c2cccc3cccc(c23)N1Cc1ccc(-c2nnco2)cc1 3231478 ILHXOVKTOROISJ-UHFFFAOYSA-N 363.398 3.599 0 40 FHAB C[C@H](CCCOc1ccccc1C(N)=O)N[C@H](C)c1ccc(F)cc1F 97162448 PUIDXAXJSWAQKH-ZIAGYGMSSA-N 362.420 3.962 0 40 FHAB COc1ccc(-c2oc3ccccc3c(=O)c2O[C@H](C)C(C)=O)cc1OC 1994076 PMOIYZZIJABTLO-CYBMUJFWSA-N 368.385 3.834 0 40 FHAB COc1ccc(NC(=O)CN2CCC(c3c[nH]c4ccccc34)CC2)cc1 10139685 PRSSFPZCAWQUIP-UHFFFAOYSA-N 363.461 3.995 0 40 FHAB CCOC1CCN(C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC1 58181180 NRZHETVNSJVVAM-HOTGVXAUSA-N 352.272 3.580 0 40 FHAB COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=S)Nc2ccccc2)cc1 100857976 FXWCPIWWJKZLTF-KRWDZBQOSA-N 369.515 3.928 0 40 FHAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)[C@H]1COc2ccccc2O1 12603021 BIWKOHNBUCXSPH-LJQANCHMSA-N 363.417 3.541 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)N3CCCc4c(F)cc(F)cc43)cn2)n1 48275184 QNOQHZKVVATMAA-UHFFFAOYSA-N 368.387 3.755 0 40 FHAB C[C@]1(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)CC1(Cl)Cl 48242078 PLPBPKQTQRGTDA-MRXNPFEDSA-N 361.232 3.919 0 40 FHAB O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc(C(F)(F)F)c2)N1 2109517 BCAAQHIVHZXLCQ-CVEARBPZSA-N 360.335 3.875 0 40 FHAB biogenic CCOC(=O)/C=C1/C[C@H]2c3cc(OC)c(OC)cc3CCN2C[C@H]1CC 104185049 XVPICYCPIBJEBT-MNZZCWISSA-N 359.466 3.522 0 40 FHAB Cc1cc(C)cc(COc2ccc3c(C)c(CC(=O)O)c(=O)oc3c2)c1 2149435 JIFWKYFOJRYKLL-UHFFFAOYSA-N 352.386 3.924 0 40 FHAB biogenic Cc1cccc(C(=O)NCCC(=O)N(Cc2ccco2)c2ccccc2)c1 24841172 MLRHNPUENLGOGG-UHFFFAOYSA-N 362.429 3.941 0 40 FHAB O=C(c1c[nH]c2ncccc12)N(Cc1cccc(F)c1)C[C@H]1CCCO1 84372494 PXMJBHCCLDRCBB-MRXNPFEDSA-N 353.397 3.523 0 40 FHAB O=C(OCC(=O)N1CCCc2ccccc21)c1ccc(Br)cc1 3314002 WTKBIYYQQVJHFH-UHFFFAOYSA-N 374.234 3.585 0 40 FHAB CC(C)Oc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 3376223 LWTVQYKBJMDIPH-LBPRGKRZSA-N 362.813 3.706 0 40 FHAB C[C@@H](NC(=O)CSc1ccc(Br)cc1)c1ccccn1 28779653 DJBDYLQPFHPFDJ-LLVKDONJSA-N 351.269 3.814 0 40 FHAB Cc1ccsc1C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 27931259 DOVHSGFVDFQXSU-UHFFFAOYSA-N 352.862 3.807 0 40 FHAB Clc1ccc(-c2nc(CSc3nnnn3-c3ccccc3)no2)cc1 29296248 QQVZTWOBOSKMSO-UHFFFAOYSA-N 370.825 3.658 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cc3cc(OC)ccc3nc2C)cc1 25765535 JVGGMJAQQMZTMG-UHFFFAOYSA-N 364.401 3.981 0 40 FHAB Cc1ccnc(NC(=O)Cc2csc(COc3ccc(F)cc3)n2)c1 11700807 NPNCCYLBMZDQQL-UHFFFAOYSA-N 357.410 3.746 0 40 FHAB Cc1ccc(-c2nc(CC(=O)NCc3cccc(CN(C)C)c3)cs2)o1 46380457 KSUQXKRUCVTQCP-UHFFFAOYSA-N 369.490 3.632 0 40 FHAB O=C(Nc1ccc(C(=O)c2cccs2)cc1)c1ccc2c(c1)OCO2 12374956 BVXJSSYPZQBZTE-UHFFFAOYSA-N 351.383 3.960 0 40 FHAB Cc1ccc(C(=O)OCC(=O)c2cccs2)cc1NC(=O)c1ccco1 3488218 FMOBTVBUWKRORW-UHFFFAOYSA-N 369.398 3.942 0 40 FHAB COc1ccccc1-c1noc(CN(C)CCOc2ccccc2Cl)n1 12916976 CGMKHWQDOXOWNK-UHFFFAOYSA-N 373.840 3.909 0 40 FHAB COc1ccc(NC(=O)c2ccc(OC(F)F)c(OC)c2)c(OC)c1 3606686 ZLBRVHONVKILKF-UHFFFAOYSA-N 353.321 3.566 0 40 FHAB Cc1nnc2sc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)nn12 13482214 YKEOPZHCTVEYQE-UHFFFAOYSA-N 353.382 3.553 0 40 FHAB CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OCCCC 4113549 MHTGMNDFESSUDE-SFHVURJKSA-N 360.454 3.837 0 40 FHAB CSc1ncc(Cl)c(C(=O)Nc2ccc(NC(C)=O)c(Cl)c2)n1 39555890 WYQNJELTPLFBRU-UHFFFAOYSA-N 371.249 3.716 0 40 FHAB CCN(CC)CCCNc1ncnc2c1c(C)c(C)n2-c1ccncc1 5346120 HCJHMXMFNZHBBU-UHFFFAOYSA-N 352.486 3.576 0 40 FHAB Cc1nnc(COC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)o1 14186417 RWNLSBCSVKWASH-UHFFFAOYSA-N 368.418 3.503 0 40 FHAB C[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccco1 14169446 RISYUPXMFNVZAN-SNVBAGLBSA-N 363.826 3.953 0 40 FHAB COc1ccc(-c2csc(NC(=O)c3cnc(C)cn3)n2)cc1Cl 14633757 VEMGPJHCNMNHNF-UHFFFAOYSA-N 360.826 3.823 0 40 FHAB Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c(Cl)c1 14831517 VIMLNGWNCIOHOO-UHFFFAOYSA-N 353.809 3.506 0 40 FHAB CSc1ccc(CNCCCSc2nnnn2-c2ccccc2)cc1 6767735 FOKKQJQMHOBXAC-UHFFFAOYSA-N 371.535 3.656 0 40 FHAB CCOCCCNc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 5889980 XBGJJLVAVGCDSS-UHFFFAOYSA-N 372.494 3.929 0 40 FHAB Cc1ccc2c(=O)cc(C(=O)Nc3ccc4nsnc4c3)oc2c1C 15841374 YKUNXVJBYSVCDR-UHFFFAOYSA-N 351.387 3.667 0 40 FHAB Cc1cc(C)c(NC(=O)CN(C)Cc2ccc3c(c2)OCO3)c(Cl)c1 7641718 QQZPOPWIPTZXDX-UHFFFAOYSA-N 360.841 3.756 0 40 FHAB O=C(CSc1nc(-c2ccccc2)n[nH]1)c1ccc2c(c1)OCCCO2 7733325 URXAGVIQVHZSJN-UHFFFAOYSA-N 367.430 3.608 0 40 FHAB C[C@H]1Oc2ccccc2N(CCC(=O)N[C@H](C)c2cccc(Cl)c2)C1=O 16204893 XSYPPUZDVMRZPJ-ZIAGYGMSSA-N 372.852 3.721 0 40 FHAB C[C@H](Sc1nnnn1C(C)(C)C)C(=O)Nc1cccc2ccccc12 16290710 RUNPSQDMPOHKDH-LBPRGKRZSA-N 355.467 3.701 0 40 FHAB COc1ccc(NC(=O)CN(C)[C@H]2CCCc3ccccc32)c(OC)c1 8072768 IWSGMTXDSRTZTL-IBGZPJMESA-N 354.450 3.652 0 40 FHAB C[C@H](NC(=O)CNC(=O)c1ccccc1Cl)c1ccc(Cl)cc1 8086015 YTMXBHSPBFIMEV-NSHDSACASA-N 351.233 3.601 0 40 FHAB CC[C@H](C)Oc1ccc(NC(=O)N2CCC[C@@H](c3nc(C)no3)C2)cc1 69037312 YSLOICODISNDNK-DZGCQCFKSA-N 358.442 3.967 0 40 FHAB Cc1cccc(C(=O)NCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1 8170124 HJXUIYUHYSMNCY-UHFFFAOYSA-N 365.477 3.600 0 40 FHAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1ncc(Cc2ccccc2)s1 8395065 DQHMRALANLDGIM-UHFFFAOYSA-N 366.368 3.588 0 40 FHAB C/C=C/c1cc(C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OC 17358414 BZOSGJGZUHYCJX-XBXARRHUSA-N 366.461 3.699 0 40 FHAB Cc1ccc(CN(C)C(=O)/C=C/c2nnc3c4ccccc4cnn23)c(C)c1 9721283 YEDZSZQOZCCVIH-ZHACJKMWSA-N 371.444 3.566 0 40 FHAB CC(C)C[C@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccccc1 18131281 LDBQEPJHHOSYQB-SFHVURJKSA-N 366.461 3.706 0 40 FHAB COCCOc1ccc(C(=O)Nc2ccccc2Br)cc1 8723058 ODSRRMSURMYYNM-UHFFFAOYSA-N 350.212 3.727 0 40 FHAB O=C(CCn1nc(-c2cccs2)oc1=O)Nc1cccc2ccccc12 8724090 QUWCFTAZIXBFBV-UHFFFAOYSA-N 365.414 3.747 0 40 FHAB Cc1ccc(-c2cc(C(F)(F)F)nc(N(C)Cc3ccn(C)n3)n2)cc1 36618602 LZMXMOJBICRWKM-UHFFFAOYSA-N 361.371 3.841 0 40 FHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)NC(C)C 408705380 DHDINERJCSOZHM-LJQANCHMSA-N 370.449 3.630 0 40 FHAB Clc1cc(Cl)cc(-c2nc(=NCCCCn3ccnc3)o[nH]2)c1 537603750 BHPDCMKAKZAUOI-UHFFFAOYSA-N 352.225 3.554 0 40 FHAB C[C@H]1CCN(C(=O)C(Cc2ccccc2)Cc2ccccc2)C[C@@H]1C(=O)O 567048698 NSBKWTLTOLANMI-UWJYYQICSA-N 365.473 3.657 0 40 FHAB CC1(C)OCC2(CO1)CN(C(=O)NC(c1ccccc1)c1ccccc1)C2 70640757 LYVSXMWJZJQCGC-UHFFFAOYSA-N 366.461 3.571 0 40 FHAB O=C(Nc1cnn(Cc2cccc(Cl)c2)c1)c1ccc2c(c1)OCCO2 32610535 SNAGOJWAWJGXMY-UHFFFAOYSA-N 369.808 3.608 0 40 FHAB CCN(C)Cc1cccc(CNC(=O)c2cc(NC)nc3ccccc23)c1 76017656 LHRDBMBQQQGPMJ-UHFFFAOYSA-N 362.477 3.658 0 40 FHAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)cc1O 36365615 NOROZVOQWGQYAH-CQSZACIVSA-N 353.353 3.849 0 40 FHAB COc1ccc(C)cc1NC(=O)COC(=O)c1cc(F)ccc1Cl 72330161 JXIYHSYNLRBJIY-UHFFFAOYSA-N 351.761 3.592 0 40 FHAB O=C(CSCc1ccccc1)NCc1ccc(CN2CCCC2)cc1 44857205 IQKPQCIEGAMZET-UHFFFAOYSA-N 354.519 3.832 0 40 FHAB CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cn1 222755660 DHNYJTRPCXTOCC-IAGOWNOFSA-N 369.881 3.523 0 40 FHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)[nH]1 223845650 LWRKNDTUJBESGE-MOPGFXCFSA-N 364.474 3.909 0 40 FHAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 223038029 FIIKRJFXGAWVHP-GJZGRUSLSA-N 367.927 3.806 0 40 FHAB CCOc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1Cl 223350097 BLKOSMZAPYVYAN-UHFFFAOYSA-N 362.832 3.840 0 40 FHAB O=C(Nc1cc(N2CCCC2)ncn1)C(c1ccccc1)c1ccccc1 75166321 CQPFNPXPURNXBV-UHFFFAOYSA-N 358.445 3.847 0 40 FHAB O=C(c1nc2ccccc2s1)N1CC[C@H](c2ccc3c(c2)OCO3)C1 225676226 AQTWUWLNDSWFKM-ZDUSSCGKSA-N 352.415 3.655 0 40 FHAB CO[C@H](CNS(=O)(=O)c1ccc(F)cc1C)c1ccc(Cl)s1 225705735 ASZOZCAVRCTGQX-LLVKDONJSA-N 363.863 3.515 0 40 FHAB Cc1ccc(NC(=O)C(=O)NCCC2=CCCCC2)c(Br)c1 42646277 OPMQCBNEEPUYQZ-UHFFFAOYSA-N 365.271 3.703 0 40 FHAB O=C1CCCCC[C@@H](C(=O)N2CCC(Oc3cncc(Cl)c3)CC2)C1 571416034 IHNCQYFILDNTTK-CQSZACIVSA-N 364.873 3.644 0 40 FHAB COC(=O)c1ccc(CN2CCC(c3nnc(-c4ccco4)s3)CC2)o1 77198188 VSLLYFDLPIGYTJ-UHFFFAOYSA-N 373.434 3.557 0 40 FHAB CCC(CC)NC(=O)c1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1 224367178 WPBCXOFVRXFTHH-UHFFFAOYSA-N 374.506 3.820 0 40 FHAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NC[C@@H]1COc2ccccc2O1 225261571 KEYGHTKLMINQGJ-DNVCBOLYSA-N 363.413 3.563 0 40 FHAB Cn1nccc1C1CCN([C@H](C(=O)O)c2cccc(Cl)c2Cl)CC1 573975416 QAYZWBWSCRJXRL-INIZCTEOSA-N 368.264 3.732 0 40 FHAB Cc1cc(C)c(C)c(OCC(=O)NCC2(c3ccccc3)CCOCC2)c1 224195479 MPFTZQBAUUNPFM-UHFFFAOYSA-N 367.489 3.855 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 224849646 UWUOMURYBNVYKQ-KRWDZBQOSA-N 370.468 3.702 0 40 FHAB COc1ccc(CN2C[C@H](OCc3nc4ccccc4o3)[C@H](F)C2)cc1 96112087 CTSMAVLYJNXCMS-APWZRJJASA-N 356.397 3.576 0 40 FHAB biogenic,in-vitro COCCO[C@@H]1CCN(C(=O)c2cccc(Cl)c2)[C@H]1Cc1ccccc1 96261293 XTJHBKQWELLGRZ-VQTJNVASSA-N 373.880 3.829 0 40 FHAB COC[C@@H]1CN(Cc2ccco2)CC12CCN(Cc1ccc(F)cc1)CC2 247879626 PRUAQKGROQNVMU-IBGZPJMESA-N 372.484 3.779 0 40 FHAB COCCNC(=O)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 257214605 CMPPSJIXYHSNRA-UHFFFAOYSA-N 371.452 3.595 0 40 FHAB CSc1cccc(NC(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)c1 253395529 BYZDJFKOMCMOKE-ZDUSSCGKSA-N 364.854 3.877 0 40 FHAB CC(=O)N[C@H](CC(=O)N1c2ccccc2N(C)CC[C@H]1C)c1cccs1 607714457 XBMDEBISBRKVMM-GDBMZVCRSA-N 371.506 3.577 0 40 FHAB COc1ccccc1CC(C)(C)C(=O)N1CCC(c2cc(C)[nH]n2)CC1 622481882 KLKRVTUXYHXRBB-UHFFFAOYSA-N 355.482 3.702 0 40 FHAB Cn1cncc1[C@H]1C[C@@H]1C(=O)NCC1(Cc2ccccc2)CCCCC1 1615558323 SFLLSGMUAWAUFK-OALUTQOASA-N 351.494 3.833 0 40 FHAB C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)NCc1cccnc1 623334800 IJSBTRZTQNHIPE-CJNGLKHVSA-N 374.282 3.932 0 40 FHAB CN(CC(F)(F)F)C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 642309955 QMDXWFMUINMGEJ-UHFFFAOYSA-N 374.366 3.628 0 40 FHAB CCCCc1ccc(C(=O)N[C@@H](C[C@@H]2CNc3ccccc32)C(=O)O)cc1 670417856 VKODPLHWBVQGSA-XLIONFOSSA-N 366.461 3.812 0 40 FHAB CCCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)CC(C)C)C2 585106553 AWGOOQSOTLRTQY-JOCHJYFZSA-N 366.509 3.966 0 40 FHAB CCN1C(=O)c2cccc3c(S(=O)(=O)Oc4ccccc4C)ccc1c23 11691614 NWAIKFJVUWBLDI-UHFFFAOYSA-N 367.426 3.896 0 40 FHAB CCCC[C@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2ON1c1ccccc1 13142180 TYGWXDDSOQBXNU-UFYCRDLUSA-N 364.445 3.864 0 40 FHAB Cc1ccc(S(=O)(=O)NC(=O)OCc2ccc(Cl)c(Cl)c2)cc1 16310255 BSJZFLOMHKGIDL-UHFFFAOYSA-N 374.245 3.917 0 40 FHAB Cc1ccc(C)c(-n2nnnc2SCC(=O)c2ccc(C)c(C)c2)c1 16627037 SRMYSZBULNTVQN-UHFFFAOYSA-N 352.463 3.871 0 40 FHAB O=C(Cn1nc(-c2ccncc2)oc1=S)c1ccc(OC(F)F)cc1 16768867 XXIFSFIQMJMSNO-UHFFFAOYSA-N 363.345 3.752 0 40 FHAB Cc1noc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)Cc2ccccc2F)c1C 19558050 JTVLPKCYHRZRNU-KRWDZBQOSA-N 368.412 3.727 0 40 FHAB CC(C)c1ncnc(N(C)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1F 1888879638 XFVIKMPDAGTEFM-MRXNPFEDSA-N 371.460 3.872 0 40 FHAB O=C(NC[C@]1(O)CCCc2sccc21)c1ccccc1C(F)(F)F 1889119529 NKERYHUVNJHJSK-MRXNPFEDSA-N 355.381 3.721 0 40 FHAB C[C@H](CC(=O)Nc1ccccc1)NC[C@H](c1ccco1)N1CCCCC1 22800212 MWXLFVMZSCMTSG-IEBWSBKVSA-N 355.482 3.814 0 40 FHAB O=C(CSc1nccn1-c1ccc(F)cc1)NCc1ccc(F)cc1 2723647 GEXWBCJOQVJKLC-UHFFFAOYSA-N 359.401 3.559 0 40 FHAB COc1ccc(C(=O)N(C(=O)N2CCCCC2)c2ccccc2)cc1OC 10254446 KBKHJFBZZPDYFC-UHFFFAOYSA-N 368.433 3.957 0 40 FHAB CC[C@@H](C(=O)NCc1cc(-c2ccc3c(c2)OCO3)on1)c1ccccc1 16838605 KZMMIXNWYGXICT-QGZVFWFLSA-N 364.401 3.880 0 40 FHAB O=C(CC1=CCCCC1)N1CCO[C@@]2(CCCN(c3cccc(F)c3)C2)C1 2055822725 RESFYHKKBCKQMM-JOCHJYFZSA-N 372.484 3.914 0 40 FHAB O=C(CSCc1ccccc1)N1CC[C@H](c2ccc3c(c2)CCO3)C1 585149003 QCZCWWKGRBCKKC-IBGZPJMESA-N 353.487 3.871 0 40 FHAB Clc1ccc([C@@H](CCNCCN2CCOCC2)c2ccccc2)cc1 20589657 QRKHJZKPWWACDF-NRFANRHFSA-N 358.913 3.784 0 40 FHAB Cc1cc(C(F)(F)F)c2c(C)nn(CC(=O)Nc3cccc(F)c3)c2n1 20601997 ROMJALSISVJPON-UHFFFAOYSA-N 366.318 3.845 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H]2CC(O)=Nc3cc(-c4ccccc4)nn32)c1 20722362 FBDAJWXXCFDJKH-GOSISDBHSA-N 374.400 3.924 0 40 FHAB O=C(Nc1cccc(F)c1)[C@@H]1CC(O)=Nc2cc(-c3ccccc3)nn21 20719052 JSQYNOCXMKURQZ-INIZCTEOSA-N 350.353 3.861 0 40 FHAB CCc1ccc(OCC(=O)OCC(=O)N[C@@H](C)c2ccc(CC)cc2)cc1 21975456 NPHOVMJWLLCUIA-INIZCTEOSA-N 369.461 3.611 0 40 FHAB Cc1noc(C)c1CCC(=O)Nc1c2c(nn1-c1ccccc1)CCC2 22088693 BNQJIPHFXDMLEM-UHFFFAOYSA-N 350.422 3.537 0 40 FHAB CC(C)n1nccc1NC(=O)c1ccc(Cn2nnc3ccccc32)cc1 22290533 QHXATVUVZDETRL-UHFFFAOYSA-N 360.421 3.509 0 40 FHAB C[C@H](NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1C[C@H]2CC[C@H]1C2 103469074 LNOCKXMAXPWDEM-HTGZKKLLSA-N 372.553 3.650 0 40 FHAB COc1ccc(Cc2nnc(NC(=O)[C@H](C)Oc3ccccc3)s2)cc1 789963 DESZHKOGMKDRSS-ZDUSSCGKSA-N 369.446 3.544 0 40 FHAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1nnc([C@@H]2CCCO2)s1 959135 FOOIVQURKMZRDH-MFKMUULPSA-N 367.858 3.757 0 40 FHAB CCOC(=O)c1c(NS(=O)(=O)c2ccc(C)cc2)sc(C)c1CC 1717098 ZDJJHEMQMXMTCU-UHFFFAOYSA-N 367.492 3.905 0 40 FHAB CC(C)(C)c1ccc(-c2noc(CCC(=O)NCc3ccco3)n2)cc1 2193992 KFTDPBMULWTNGW-UHFFFAOYSA-N 353.422 3.876 0 40 FHAB O=C(Nc1ccc(Br)cc1)O/N=C/c1ccc([N+](=O)[O-])cc1 3084497 FKWQYORJYJPUBR-CXUHLZMHSA-N 364.155 3.940 0 40 FHAB CCOC(=O)COc1ccc2c(=O)c(-c3ccc(F)cc3)c(C)oc2c1 3244372 XEXPNSBEDSGTBK-UHFFFAOYSA-N 356.349 3.849 0 40 FHAB O=C(CCN1c2ccccc2Sc2ccccc21)O[C@H]1CCOC1=O 3249195 OOPKHFPTZLNXBQ-HNNXBMFYSA-N 355.415 3.538 0 40 FHAB CCN(CC)c1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)cc1 3351494 UYGZFMOYNZEDSI-UHFFFAOYSA-N 366.461 3.669 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H](Sc1nncn1C)c1ccccc1 3359421 FKNWGJMUHWKPSN-QGZVFWFLSA-N 368.462 3.604 0 40 FHAB Cc1cc(Cl)ccc1OCC(=O)OCc1nnc(-c2ccccc2)o1 3440738 MUZROQPUNICLSE-UHFFFAOYSA-N 358.781 3.821 0 40 FHAB COc1ccccc1[C@H](CNc1ncnc2sc3c(c12)CCC3)N(C)C 3456015 RWGDKHFSBBOWID-HNNXBMFYSA-N 368.506 3.903 0 40 FHAB Cc1ccccc1C(=O)OCC(=O)Nc1ncc(Cl)c(C)c1Cl 3487142 MILJETUAHMJUKF-UHFFFAOYSA-N 353.205 3.801 0 40 FHAB CNC(=O)NC(=O)[C@H](Sc1cccc(C(F)(F)F)c1)c1ccccc1 3558561 KTRKPJOTIHYZOK-CQSZACIVSA-N 368.380 3.994 0 40 FHAB CCOc1ccc(N2C[C@H](C(=O)Oc3ccc(C)c(C)c3)CC2=O)cc1 3566079 SIRWNYFWRLRIEV-MRXNPFEDSA-N 353.418 3.661 0 40 FHAB CCn1cc(SCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 4060566 OILZBHHKNUNCCR-UHFFFAOYSA-N 368.458 3.798 0 40 FHAB O=C(NC1CCCCCCCCCCC1)c1cnc2n(c1=O)CCS2 4089003 YXBHYSFAFZTGOX-UHFFFAOYSA-N 363.527 3.752 0 40 FHAB COc1ccc(OC)c(NC(=O)COc2ccc(Cl)cc2C(C)=O)c1 4283671 PCZPOGFECGCSHB-UHFFFAOYSA-N 363.797 3.577 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 4385142 YQMMUZIAWJTGPA-CYBMUJFWSA-N 358.825 3.730 0 40 FHAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)c2ccncc2)c1 4659879 ZPSQZXWNALMVGK-UHFFFAOYSA-N 361.401 3.985 0 40 FHAB Cc1ccc(C)c(OCc2nn3c(Cc4ccccc4)nnc3s2)c1 4667804 UDXIHMNDZXHZBJ-UHFFFAOYSA-N 350.447 3.972 0 40 FHAB Cc1cc(C)c(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c(C)c1 4689299 UGHMKNANOMZIQG-UHFFFAOYSA-N 374.506 3.633 0 40 FHAB CCCCCCC1O[C@@H](C(=O)OCCCC)[C@H](C(=O)OCCCC)O1 4726156 YKLWNOFSYWLFML-IAGOWNOFSA-N 358.475 3.754 0 40 FHAB O=C(NCc1cccc(F)c1)c1nc(-c2ccc(C(F)(F)F)cc2)no1 4726701 WEHICAMMNHLHHF-UHFFFAOYSA-N 365.286 3.825 0 40 FHAB COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1 4880994 WIHYYYHPUSRXRL-UHFFFAOYSA-N 372.764 3.985 0 40 FHAB CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(Cl)c1Cl)CC(=O)N2 4944272 VGCAGYDFQFVJMV-MRVPVSSYSA-N 370.261 3.663 0 40 FHAB Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2OC(C)C)c1 5030192 SWACLLNINDZSDW-UHFFFAOYSA-N 357.435 3.526 0 40 FHAB CCC(CC)(COC(=O)C(O)(c1ccccc1)c1ccccc1)CN(C)C 5064909 LHHMCPYOPXKWNW-UHFFFAOYSA-N 369.505 3.834 0 40 FHAB Cc1cc(NC(=O)/C=C/c2cccc(F)c2)n(-c2nc3ccccc3[nH]2)n1 5343388 KABDPCWQXYWDRZ-MDZDMXLPSA-N 361.380 3.848 0 40 FHAB COc1ccc(CCNC(=O)COc2ccccc2C(C)(C)C)cc1OC 5380113 PKAYMWNVVWIVSU-UHFFFAOYSA-N 371.477 3.739 0 40 FHAB COc1cccc(-c2noc(CCC(=O)Nc3cccc(C)c3C)n2)c1 5575131 PMVCLALUOKILPG-UHFFFAOYSA-N 351.406 3.933 0 40 FHAB COc1cccc(-c2nc(COC(=O)c3ccc(O)cc3)cs2)c1OC 5694387 YMQPGPVTNQGIMQ-UHFFFAOYSA-N 371.414 3.890 0 40 FHAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 6084024 WZTZMWDLYUDDSI-SNHMRICDSA-N 372.509 3.755 0 40 FHAB Cc1cccc(NC(=O)CSCC(=O)N[C@H]2CCCc3ccccc32)c1 6433885 SBSMUCWBLCSLAL-IBGZPJMESA-N 368.502 3.861 0 40 FHAB O=C(CSc1nnc(COc2ccccc2)[nH]1)Nc1ccc(Cl)cc1 6496010 ODJDVHCGMOCAFI-UHFFFAOYSA-N 374.853 3.768 0 40 FHAB CCCN1C(=O)S/C(=C/c2ccc(N(C)C)c(Br)c2)C1=O 6629553 OTHCJNZURTZEDA-UKTHLTGXSA-N 369.284 3.961 0 40 FHAB O=c1c(Cl)c(N2CCCCCC2)cnn1Cc1ccccc1Cl 6758324 KJRKLAYWKOBKBA-UHFFFAOYSA-N 352.265 3.979 0 40 FHAB O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1ccc(Cl)nc1 6986708 HCRIUMKSBHGMEO-UHFFFAOYSA-N 350.161 3.795 0 40 FHAB Cc1nc(N2CCN(c3cccc(Cl)c3)CC2)nc2c1C(=O)C[C@@H](C)C2 7499186 KYZMSEBKGYDPHY-ZDUSSCGKSA-N 370.884 3.530 0 40 FHAB C[C@@H](NC(=O)CSc1ccc(F)c(F)c1)c1ccc2c(c1)OCCO2 7806962 XTIGKLLLWMXSEN-LLVKDONJSA-N 365.401 3.706 0 40 FHAB C/C=C/C=C/C(=O)OCC(=O)Nc1cc(C)c(Br)c(C)c1 8433678 ROZPLEUWEHGTOJ-YTXTXJHMSA-N 352.228 3.680 0 40 FHAB CC(=O)N[C@H](C)c1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1 8981966 DFDCSNKJLFOZRE-LLVKDONJSA-N 355.419 3.853 0 40 FHAB O=C(CSc1ncn[nH]1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 9194172 SZAVMSUHAWBIKH-UHFFFAOYSA-N 370.278 3.573 0 40 FHAB C[C@@H](NC(=O)CCn1c(=O)oc2cc(Cl)ccc21)c1cccs1 9365535 GOIKWSHLPKPNQO-SNVBAGLBSA-N 350.827 3.577 0 40 FHAB Cn1c(CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)nc2ccccc21 9366886 ANNRDNBIEMHZDG-UHFFFAOYSA-N 371.444 3.566 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Sc1nnc2n1CCCCC2 9608773 SPUAMYVYVVHDHM-JKSUJKDBSA-N 372.538 3.623 0 40 FHAB CCOc1cc2c(cc1NC(=O)c1cc(OC)cc(OC)c1)O[C@@H](C)C2 9643797 SMFQQCMSWIEZAO-LBPRGKRZSA-N 357.406 3.678 0 40 FHAB COc1ccccc1NS(=O)(=O)c1ccc(-c2[nH]nc(C)c2C)s1 9686857 DRVBYKLNSJQJAI-UHFFFAOYSA-N 363.464 3.564 0 40 FHAB CC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccs3)=NN12 10214271 MMDWCQXMQORQTL-KRWDZBQOSA-N 367.474 3.630 0 40 FHAB Cc1cc2nnc(SCC(=O)NCc3ccco3)n2c2c(C)cccc12 11903158 CFRYOHNVJGHCPU-UHFFFAOYSA-N 366.446 3.501 0 40 FHAB C[C@@H](NC(=O)[C@@H]1CCCN(c2nc3ccccc3n2C)C1)c1ccccc1 12145807 KQOGQNHCCYUNTL-SJLPKXTDSA-N 362.477 3.667 0 40 FHAB COc1ccccc1C1(O)CCN(Cc2cnn(C3CCCCC3)c2)CC1 12330726 HBXNHKWVWAQGDC-UHFFFAOYSA-N 369.509 3.881 0 40 FHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(Cl)cc1 12909551 QDFIIWCQGFQUMD-AWEZNQCLSA-N 369.856 3.552 0 40 FHAB CC(C)[C@@H](NC(=O)CCCNC(=O)c1ccc(F)cc1F)c1ccccc1 13006806 RZOIQUXHKIYEJI-HXUWFJFHSA-N 374.431 3.988 0 40 FHAB NC(=O)c1c(NC(=O)c2ccc(F)cc2F)sc2c1CCCCC2 13073315 LZNBPHMCZMVYCW-UHFFFAOYSA-N 350.390 3.646 0 40 FHAB CCN(CC(=O)NC(C)C)C(=O)c1ccc(C2SCCCS2)cc1 13985614 NRNYPHYZLQXIEC-UHFFFAOYSA-N 366.552 3.542 0 40 FHAB CC(C)c1ccc(OCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 14343334 RYOAVHRZHPNIBJ-OAHLLOKOSA-N 355.434 3.837 0 40 FHAB COc1ccc(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)cc1OC 15593794 RMOKNUCMLRPCSB-SFHVURJKSA-N 353.422 3.707 0 40 FHAB Cc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)s1 16104221 XFFKXSXIYRIXNI-UHFFFAOYSA-N 353.346 3.980 0 40 FHAB CCC(=O)N1CCCc2ccc(NC(=O)COc3ccc(F)cc3)cc21 17247692 LLFLQOOILWJSPM-UHFFFAOYSA-N 356.397 3.532 0 40 FHAB CC(C)c1cc(C(=O)O[C@H](C)C(=O)NCc2ccco2)c2ccccc2n1 18024475 YQKVLUDRZRNYMN-CQSZACIVSA-N 366.417 3.813 0 40 FHAB Cc1ccc(-c2cc(C(=O)N(C)Cc3nnc(-c4ccccc4)o3)no2)cc1 19665765 FVLNNQMYOPCSBN-UHFFFAOYSA-N 374.400 3.972 0 40 FHAB S=c1n(CN2CCOCC2)nc(-c2ccccc2)n1C1CCCCC1 19875069 AHHHICCIBGRESJ-UHFFFAOYSA-N 358.511 3.876 0 40 FHAB CCOc1ccccc1-c1nnc(NC(=O)/C=C/c2ccc(OC)cc2)o1 19927201 JWSDKFURZDNTMY-JLHYYAGUSA-N 365.389 3.796 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1-n1ccnc1 20452581 MRZAFIJVVPKGFW-AWEZNQCLSA-N 355.825 3.609 0 40 FHAB Cc1nccn1-c1ccc(CNC(=O)[C@@H](C)Sc2ccccc2)cc1 20456570 XVESSBSCILJXBT-OAHLLOKOSA-N 351.475 3.978 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)NCc1ccc(CN2CCCCC2)cc1 21637671 SUNWIJWNXZZJQX-SFHVURJKSA-N 352.478 3.756 0 40 FHAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)Cc3cccc(F)c3)n2)C1 22292957 HNYRXLGOGIJRKX-ZIAGYGMSSA-N 361.486 3.941 0 40 FHAB COc1ccc(CN(C)C(=O)c2ccc(Br)s2)cc1OC 22367106 WHYZVAGLWLOTRU-UHFFFAOYSA-N 370.268 3.800 0 40 FHAB C[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1Cn1ccnc1 24437862 OBIVTPVYSLIXGQ-OAHLLOKOSA-N 369.852 3.669 0 40 FHAB CCOCc1ccc(CNC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)cc1 24745524 CCIKEAAFLDSDPT-QRWLVFNGSA-N 366.461 3.748 0 40 FHAB O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)C1CC1 25132151 VQCQQFRDQSGVQW-UHFFFAOYSA-N 368.817 3.628 0 40 FHAB COc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCC2)cc1 27583903 MVOKRMWMBCMZRV-NRFANRHFSA-N 352.478 3.961 0 40 FHAB biogenic C[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1C(F)(F)F 28871441 LPDCRRONXFEBTQ-LLVKDONJSA-N 366.339 3.916 0 40 FHAB CC(C)C[C@@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1)c1ccccc1 29107192 TUHYXYKWZVZPLY-MOPGFXCFSA-N 353.466 3.690 0 40 FHAB CC(=O)Nc1nc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cs1 31819370 XLGNLURYDDTWRG-UHFFFAOYSA-N 358.448 3.786 0 40 FHAB CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3C(C)(C)C)c2cccc(C)c21 32102829 YCSKIRZMYSOGLQ-FQEVSTJZSA-N 352.438 3.591 0 40 FHAB O=c1cc(CSc2ccc(Cl)cn2)nc2sc3c(n12)CCCC3 32778766 HLHXFJKWJDLPJP-UHFFFAOYSA-N 363.895 3.976 0 40 FHAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)c1ccoc1 32817398 KQZFLSNOVVCMOI-AWEZNQCLSA-N 353.205 3.830 0 40 FHAB CCc1sc(C(=O)NCc2cccc(C(=O)N3CCCC3)c2)cc1C 32930523 MATQNGQFOYGPEM-UHFFFAOYSA-N 356.491 3.785 0 40 FHAB Cc1cccc(OCCNC(=O)c2c(NC(=O)C3CC3)sc(C)c2C)c1 36391153 RTZYTCZDSKKTQZ-UHFFFAOYSA-N 372.490 3.831 0 40 FHAB O=C(CC1(Cn2cnnn2)CCCCC1)Nc1ccc(Cl)cc1Cl 44919290 IWHRYSNLXXPFJA-UHFFFAOYSA-N 368.268 3.959 0 40 FHAB Cc1nc(C2(NC(=O)Cc3ccc(-n4cccc4)cc3)CCCCC2)no1 46406053 GERKCQFWXXIIRX-UHFFFAOYSA-N 364.449 3.687 0 40 FHAB CCNC(=O)c1cccc(C)c1OCC(=O)N[C@H](C)c1ccc(C)c(C)c1 48234741 NVKODZPRCVJBPF-QGZVFWFLSA-N 368.477 3.618 0 40 FHAB CCC[C@@H](NC(=O)Cn1nc(-c2ccccc2)ccc1=O)c1ccccc1 48385893 VFULASBUXNVURF-LJQANCHMSA-N 361.445 3.568 0 40 FHAB CC(=O)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 52412363 AUCNPTZXEIWGFW-AWEZNQCLSA-N 357.793 3.501 0 40 FHAB O=C(c1ccc(-n2cc[nH]c2=S)cc1)N1CCC[C@@H]1c1ccccn1 55523780 HVYMUOLIWVMONN-QGZVFWFLSA-N 350.447 3.907 0 40 FHAB O=C(Cc1coc2cc3c(cc12)CCC3)Nc1ccccc1Cn1cncn1 55968536 WBMNLEWLIBRURJ-UHFFFAOYSA-N 372.428 3.743 0 40 FHAB COc1ccc([C@@H](O)CNC(=O)N[C@H](C)c2ccc(F)c(Cl)c2)cc1 56942995 WWZVZGQQUPDYBV-DIFFPNOSSA-N 366.820 3.582 0 40 FHAB COc1ccc(-c2noc(CN(C)C(=S)Nc3ccccc3)n2)cc1 59294741 DNMXECQMIYAXLT-UHFFFAOYSA-N 354.435 3.574 0 40 FHAB CCOc1ccc(NC(=O)CSc2nc3ccccc3n2C(C)=O)cc1 59434442 PGDWRXMNOITUSS-UHFFFAOYSA-N 369.446 3.826 0 40 FHAB CC1CCN(C[C@@H]2CCCN(C(=O)[C@@H](C)OCc3ccccc3)C2)CC1 60275009 WGTILHOOMYKTLU-CTNGQTDRSA-N 358.526 3.562 0 40 FHAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cccc(COCC2CC2)c1 65081495 YEFCJVMNMKSIAG-XOBRGWDASA-N 353.418 3.780 0 40 FHAB O=S(=O)(CC1CCCCC1)NC1(c2ccc(Br)cc2)CC1 72230514 GGFXWBNNWRXVBA-UHFFFAOYSA-N 372.328 3.938 0 40 FHAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4ccccc4)[nH]3)CC2)cc1 72275484 RMFJHKUGLPYXJB-UHFFFAOYSA-N 373.456 3.847 0 40 FHAB COc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)c3ccncc3)C2)c1 72358726 YWBZTENSWBFPPM-SFHVURJKSA-N 374.444 3.567 0 40 FHAB O=C(c1ccccc1)N1CCC[C@H](c2cncc(-c3ccc(CO)cc3)n2)C1 72359331 UPUFSMWDVCFIML-FQEVSTJZSA-N 373.456 3.656 0 40 FHAB CO[C@@H]1CCCC[C@@H]1OC(=O)Cn1c(SC(F)F)nc2ccccc21 83897715 OFLGPERNENDQPK-KGLIPLIRSA-N 370.421 3.852 0 40 FHAB Cc1c(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cnn1-c1ccncc1 90089408 KNGWAFICQHSBMY-OAHLLOKOSA-N 360.461 3.946 0 40 FHAB CC(C)c1sc(Cl)nc1C(=O)Nc1nnc([C@H]2CCCO2)s1 95473239 DYDZBCUCQZGUEM-SSDOTTSWSA-N 358.876 3.875 0 40 FHAB CCCCOc1ccc(S(=O)(=O)/N=c2/cc(C)cc[nH]2)c2ccccc12 95946076 UDUYGCWCUGTIPD-UHFFFAOYSA-N 370.474 3.945 0 40 FHAB O=C(c1ccc2ccccc2n1)N1CCC(Oc2ccc(Cl)cn2)CC1 96096906 YQWMQSPQPXBBNU-UHFFFAOYSA-N 367.836 3.967 0 40 FHAB Cc1cnc(CNC(=O)c2cc3c(c4ccccc4n3CC3CC3)n2C)cn1 96146491 HZGHLTWKLRLKIL-UHFFFAOYSA-N 373.460 3.571 0 40 FHAB CC[C@](CNS(=O)(=O)c1ccccc1Cl)(OC)c1ccccc1 96391886 FGHYAMPSSVDLQO-QGZVFWFLSA-N 353.871 3.570 0 40 FHAB C[C@H](CCc1ccco1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 97032892 SAWDKTYLNRJOSD-SJKOYZFVSA-N 350.821 3.788 0 40 FHAB C[C@H](CC(F)(F)F)N[C@H](CN(C)C1CCN(C)CC1)c1ccccc1 97228349 FPXBYKNMENJQSI-CRAIPNDOSA-N 357.464 3.684 0 40 FHAB Cc1ccc([C@H]2CC(=O)c3cnc4[nH]n(-c5ccccc5)c(=O)c4c3C2)cc1 100130359 XUHOVTHXWQWVEH-MRXNPFEDSA-N 369.424 3.935 0 40 FHAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)[C@H]1CCCC[C@@H]1C(F)(F)F 106125170 LOUKZYJXKZQJDB-XIRDDKMYSA-N 354.416 3.998 0 40 FHAB C[C@@H]1[C@@H](NC(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)CCC[C@H]1C 106865787 MOBQBLXAIUIQBG-DFEOGRTESA-N 363.546 3.682 0 40 FHAB COc1ccc(S[C@@H](C)C(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1 216207039 QGLPVVUUDCRGQV-ZACQAIPSSA-N 364.555 3.660 0 40 FHAB Cc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(C)cc3C)n2)cc1 219536419 XSKSWJYWMHAJLY-MRXNPFEDSA-N 365.433 3.746 0 40 FHAB O=C(COc1cccc(Cl)c1)NCCSCc1ccccc1F 222768336 PEPQUUSWATUYKW-UHFFFAOYSA-N 353.846 3.908 0 40 FHAB O=C(NCc1ccc(Cl)cc1Cl)c1cn2c3c(cccc3c1=O)CC2 223091873 VHOHFOVXTKQYBY-UHFFFAOYSA-N 373.239 3.794 0 40 FHAB COc1ccccc1OCCNC(=O)[C@H](C)Oc1ccc2ccccc2c1 224284988 QNHFNUSHFMXRGA-INIZCTEOSA-N 365.429 3.811 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)Cc1ccc(OC)c(C)c1 224304523 VLIIIQXBFDLGAS-UHFFFAOYSA-N 354.450 3.715 0 40 FHAB Cc1ccccc1OCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 224552785 YSYHDAYRCNPSIV-UHFFFAOYSA-N 370.468 3.541 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1C 224703926 CIEMHVWBGMCZAJ-LJQANCHMSA-N 366.505 3.789 0 40 FHAB COc1ccc(CCCNC(=O)COc2ccc3c(c2)CCCC3)cc1 225251178 SONLVYBXKCOJQQ-UHFFFAOYSA-N 353.462 3.702 0 40 FHAB O=C(NCc1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 244251107 WHDBSVRDCUZQHF-UHFFFAOYSA-N 374.721 3.753 0 40 FHAB O=C(c1ccccc1OC(F)(F)F)N1CCC(Oc2ccncc2)CC1 244970111 HKJXTLBCKLSRFA-UHFFFAOYSA-N 366.339 3.664 0 40 FHAB CCN(CC)CC[C@H](C)N[C@@H](c1nnnn1-c1c(C)cccc1C)C(C)C 255188780 LOMZMUNJURXOMN-RBUKOAKNSA-N 372.561 3.686 0 40 FHAB Cc1cccc(CC(=O)N[C@H](c2ccccn2)[C@H]2CC[C@H](CN)CC2)c1 257242046 IAVMHKVDDWJUKA-JLMWRMLUSA-N 351.494 3.555 0 40 FHAB C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccnc(NC(=O)C3CC3)c2)C1 556839405 HTKVSTSUROZWSS-JOCHJYFZSA-N 363.461 3.624 0 40 FHAB O=C1c2ccccc2CN1CC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 594631459 FXPUOLGHLSJOIJ-NRFANRHFSA-N 373.456 3.878 0 40 FHAB Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N1CCCCc2cc(Cl)ccc21 622959776 NLENTDRMPHMLQY-SJLPKXTDSA-N 373.884 3.911 0 40 FHAB CCC(CC)C(=O)N1CCO[C@@H](c2cccc(Nc3ncc(C)s3)n2)C1 643550683 MPOUJYORWTVSBH-MRXNPFEDSA-N 374.510 3.926 0 40 FHAB COc1cc(COc2cc(Br)cnc2C=O)ccc1Cl 1166919155 UQPBUVHFVYHDKG-UHFFFAOYSA-N 356.603 3.898 0 40 FHAB Cn1ccc(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)cc1=O 1521797428 XDBIUGLSOPYSBH-UHFFFAOYSA-N 362.307 3.916 0 40 FHAB CC1(C)C[C@@H]2CN(C(=O)c3cscn3)CC[C@@H]2N1c1cccc(F)c1 1615159044 SIRWOQVITAUKGG-DYVFJYSZSA-N 359.470 3.802 0 40 FHAB CCOc1c(S(=O)(=O)N2CCC[C@@H](C)C2)ccc(Cl)c1Cl 644627 WTZJSVDULNQITN-SNVBAGLBSA-N 352.283 3.813 0 40 FHAB COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1O 1011363 FVTURISTIOGOHE-CXUHLZMHSA-N 359.378 3.776 0 40 FHAB COc1cc(NC(=O)Cc2ncc(C(F)(F)F)cc2Cl)cc(OC)c1 1383804 IRPCAMXJYNHBLP-UHFFFAOYSA-N 374.746 3.952 0 40 FHAB Cn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1cccs1 2356258 ZZCNTPZZJSADMQ-UHFFFAOYSA-N 366.418 3.553 0 40 FHAB CCCCCCOC(=O)c1c(N)n(CCOC)c2nc3ccccc3nc12 2415262 LWCOHOSQHZRPLM-UHFFFAOYSA-N 370.453 3.550 0 40 FHAB COc1cccc(-c2nc3nc4ccccc4nc3n2C[C@H]2CCCO2)c1 2416911 JQEQJLPEFCKDIL-MRXNPFEDSA-N 360.417 3.834 0 40 FHAB COc1ccc(OC)c(NC(=O)N2CCN(c3ccc(C)cc3)[C@@H](C)C2)c1 2858137 DVYRZNLXEALZMY-INIZCTEOSA-N 369.465 3.755 0 40 FHAB Cc1ccsc1C=C(C(=O)NCCC(C)C)C(=O)NCCC(C)C 3226069 MMCUKBCMYBODIY-UHFFFAOYSA-N 350.528 3.765 0 40 FHAB C[C@H](C(=O)NCC1CCCCC1)N(C)Cc1ccc(Br)cc1 3417159 QJCHHMVRPCRHFA-CQSZACIVSA-N 367.331 3.966 0 40 FHAB Cc1ccc(C)c(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)c1 3527636 IYFINBAYAFLKBJ-FQEVSTJZSA-N 370.836 3.607 0 40 FHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccs3)C2=O)cc1 4470965 RNHWOFGGFRHTEX-NTEUORMPSA-N 358.444 3.732 0 40 FHAB CCc1ccc2nc(N3CCN(C(=O)c4ccccc4)CC3)sc2c1 4583410 KXBSDSNNXJUICQ-UHFFFAOYSA-N 351.475 3.821 0 40 FHAB CCOc1cc(/C=C2\SC(=O)NC2=O)ccc1OC(=O)c1ccccc1 4838780 JVWCVVDIUOCPDT-WJDWOHSUSA-N 369.398 3.628 0 40 FHAB O=C1N/C(=C/c2cc(Cl)ccc2O)C(=O)N1Cc1ccc(Cl)cc1 6241887 VWKFZKNMHGCNNY-RIYZIHGNSA-N 363.200 3.792 0 40 FHAB Cc1ccc(OCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c(C)c1 6811181 OKAZUIBFVNBOTP-UHFFFAOYSA-N 371.824 3.702 0 40 FHAB O=C(CSc1ncccn1)Nc1nc(-c2cc(F)ccc2F)cs1 6912187 BTTBWLYZKZJDQH-UHFFFAOYSA-N 364.402 3.609 0 40 FHAB CCn1c(S[C@@H](C)c2ccccc2)nc2cc(S(N)(=O)=O)ccc21 6976999 QRFRMAZMYGSLQZ-LBPRGKRZSA-N 361.492 3.557 0 40 FHAB CCC(=O)Nc1nc2ccc(NC(=S)NC(=O)CC(C)C)cc2s1 7388585 WYNIJHNYWSQNLM-UHFFFAOYSA-N 364.496 3.504 0 40 FHAB Cc1ccc2c(c1)c1c(n2C[C@H](O)CNC2CCCCC2)C(=O)CCC1 7572531 CVPHOXGBNXUIMJ-QGZVFWFLSA-N 354.494 3.752 0 40 FHAB CCOc1ccc(CN(C)S(=O)(=O)c2cccc(Cl)c2)cc1OC 7780057 ZSENQEPUAQSPAN-UHFFFAOYSA-N 369.870 3.568 0 40 FHAB CC1CCN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)CC1 7814785 DJODMNFQIBYARZ-INIZCTEOSA-N 357.479 3.751 0 40 FHAB CCc1nnc(NC(=O)c2ccc(OCc3csc(C)n3)cc2)s1 7921390 ASCFCARKSPHJIO-UHFFFAOYSA-N 360.464 3.697 0 40 FHAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)Cc1c[nH]c2ccccc12 7988281 JOKMPKVJGRAYSL-UHFFFAOYSA-N 364.405 3.792 0 40 FHAB Cc1nc2ccc(N[C@@H](C(=O)N3CCOCC3)c3ccccc3)cc2s1 8159842 CRVDKSQCTXKABF-LJQANCHMSA-N 367.474 3.617 0 40 FHAB O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccc2c(c1)OCO2 8376729 KDVXRJUMOCEAGV-UHFFFAOYSA-N 369.229 3.849 0 40 FHAB COC(=O)c1ccc(O[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 8491966 HURWTNMISPZGCF-AWEZNQCLSA-N 369.417 3.718 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)OCc1nnc(-c2cccs2)o1 8650033 UBIBAKMUSDKHPW-UHFFFAOYSA-N 353.403 3.955 0 40 FHAB Nc1c(Br)cc(-c2nc3ncccc3o2)cc1Br 8702058 NFYNWRZELAOKSD-UHFFFAOYSA-N 369.016 3.997 0 40 FHAB C[C@@H](NC(=O)Cc1noc2ccccc12)c1nc2ccccc2n1C(F)F 9759881 JMEMETQNTUJNPX-LLVKDONJSA-N 370.359 3.993 0 40 FHAB CC(C)n1nccc1NC(=O)CCn1c(C(F)(F)F)cc2cccnc21 12220576 QCRWOOVMJFTFDK-UHFFFAOYSA-N 365.359 3.861 0 40 FHAB CCCn1ncc(C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)c1C 12221204 ZEJXMTUOPIWHPI-SFHVURJKSA-N 351.454 3.845 0 40 FHAB COc1ccc(-c2nnc3sc(-c4cnn(-c5ccccc5)c4)nn23)cc1 12406934 FBQMLBOZOHYXMU-UHFFFAOYSA-N 374.429 3.714 0 40 FHAB COc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1OC 12556101 USGCOSFECJITCC-UHFFFAOYSA-N 355.419 3.804 0 40 FHAB COc1ccc(C)cc1NC(=O)c1ccc(OCc2noc(C)n2)cc1 12687360 HOTRBMZKOMYAHO-UHFFFAOYSA-N 353.378 3.526 0 40 FHAB Cc1ccc(C(=O)NCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1 12806438 FIVHCMHSZYVYCY-AWEZNQCLSA-N 367.474 3.554 0 40 FHAB Cc1ccc2nc(C)c(C(=O)N3CCN(Cc4ccccc4)CC3)cc2c1 12866620 YWOWBNKSCWCGRO-UHFFFAOYSA-N 359.473 3.810 0 40 FHAB CCCn1c(=O)n(CCC(=O)Nc2cc(C)cc(C)c2)c2ccccc21 12993581 CPIYJFNNGZCPPW-UHFFFAOYSA-N 351.450 3.859 0 40 FHAB CC(=O)Nc1cccc2nc(-c3ccccn3)n(CCc3ccccn3)c12 13213013 ZISZPTIGLJBBIL-UHFFFAOYSA-N 357.417 3.694 0 40 FHAB Cc1c(Cl)cccc1NS(=O)(=O)c1cc(C(=O)O)ccc1Cl 13340391 NRORQDZDYLDSLA-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccc(OC)cc1 13769962 ASXWTHKFWFWELY-UHFFFAOYSA-N 364.445 3.898 0 40 FHAB COc1ccc(OC)c(C(=O)Nc2nc3c(s2)Cc2ccccc2-3)c1 13972485 CPUNWIZYNWAMAP-UHFFFAOYSA-N 352.415 3.984 0 40 FHAB Cc1ccc(-n2nc(C)c(C(=O)Nc3cccc4cccnc34)n2)c(C)c1 14138902 WYYPMKLWEZGISV-UHFFFAOYSA-N 357.417 3.993 0 40 FHAB CCc1nnc(-c2cc3ccccc3n2CC(=O)NCCc2ccccc2)o1 15881406 HEIVBHQIFMIADR-UHFFFAOYSA-N 374.444 3.613 0 40 FHAB COc1ccc(Nc2nc(NC3CCCCC3)nc3c2cnn3C)cc1 17148949 VPBAAZNITRLSHQ-UHFFFAOYSA-N 352.442 3.860 0 40 FHAB Cc1[nH]c2[nH]n(-c3ccccc3)c(=O)c2c(=O)c1Cc1ccc(Cl)cc1 18240739 FRCLADKYCGXJII-UHFFFAOYSA-N 365.820 3.560 0 40 FHAB Cc1cc(C(=O)N2CCC[C@@H](c3nc(C)cc(-c4cccs4)n3)C2)on1 19117773 HFJIBNZWRHTQDT-CQSZACIVSA-N 368.462 3.830 0 40 FHAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)[C@H](C)n2nccc2C)n1 19238318 LSZYFXWSWSVKAD-DZGCQCFKSA-N 360.508 3.679 0 40 FHAB Cc1nc(C[C@@H](NC(=O)C2CCCCC2)c2ccc(Cl)cc2)cc(=O)[nH]1 19285292 RSKCMXSKOMPEJU-GOSISDBHSA-N 373.884 3.712 0 40 FHAB C[C@@H](Cc1ccccn1)NC(=O)[C@@H](C)Oc1cccc(C(F)(F)F)c1 19456982 PILYLAIVUQJPJL-QWHCGFSZSA-N 352.356 3.615 0 40 FHAB O=C(C1CCC1)N1CCC[C@H]1c1cc(CCOc2ccccc2F)[nH]n1 19703618 FRKRAKLUEDWAIJ-SFHVURJKSA-N 357.429 3.634 0 40 FHAB CCOC(=O)c1cnc2cc3c(cc2c1OCc1ccc(F)cc1)OCO3 19897593 BAAMXNVLQYQDGE-UHFFFAOYSA-N 369.348 3.858 0 40 FHAB CCOc1ccc(N2C(=O)CS[C@H]2c2ccc(OC)c(OC)c2)cc1 19927257 BEXPKFZCVRPDLV-IBGZPJMESA-N 359.447 3.881 0 40 FHAB COc1ccc(CN(C)C(=O)c2ccc(CN3CCCC3)cc2)cc1OC 20041716 CJGLRXSYQCXVCI-UHFFFAOYSA-N 368.477 3.572 0 40 FHAB Cc1ccc(SCC(=O)NCc2ccc(-n3ccnc3C)cc2)cc1 20046197 MOMNPKLPAUGTLQ-UHFFFAOYSA-N 351.475 3.898 0 40 FHAB O=C(NC[C@@H]1CCCO1)c1ccc(COc2ccc3ccccc3c2)o1 20149792 UPOWLVCAMZKVQX-SFHVURJKSA-N 351.402 3.921 0 40 FHAB COc1cc(CNCCc2ccccc2F)cc(Br)c1OC 20228215 JGELUAYCYITWOW-UHFFFAOYSA-N 368.246 3.938 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)CCC(=O)c3ccc(C)c(C)c3)ccc21 20925113 FNTXYXCLICIOHD-UHFFFAOYSA-N 364.445 3.814 0 40 FHAB CCOc1ccc(Oc2ccc(N[C@H]3CC(=O)N(C4CC4)C3=O)cc2)cc1 22195238 VDMAJPOTXPKOHN-IBGZPJMESA-N 366.417 3.579 0 40 FHAB O=C(O)CCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 26893148 XBRKRZUQZJDDQO-OAQYLSRUSA-N 372.896 3.912 0 40 FHAB in-man O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cc2ccccc2oc1=O 26980629 MLVVJZKBWQVPGT-UHFFFAOYSA-N 371.776 3.860 0 40 FHAB O=C(Nc1cccc(OCC(=O)N2CCCC2)c1)c1ccc(Cl)cc1 27453089 DEHJTIYSEXPMOY-UHFFFAOYSA-N 358.825 3.594 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCOc2ccccc21 30578058 RJHZPXDDWBOBEU-GOSISDBHSA-N 372.852 3.520 0 40 FHAB COc1ccc(C(=O)Nc2ccc(O)c(-c3nc4cnccc4o3)c2)cc1 32072894 MGLDZGDGRBRWNN-UHFFFAOYSA-N 361.357 3.856 0 40 FHAB CCc1c(C)sc2nc(NCCCO)n3nc(-c4ccccc4)nc3c12 32088392 XOCWERILOOUBTL-UHFFFAOYSA-N 367.478 3.671 0 40 FHAB CCN(Cc1cccs1)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32795651 ODQULQPRKBJNAL-QGZVFWFLSA-N 368.502 3.638 0 40 FHAB CC(=O)Nc1ccc(C(=O)OCc2nc3ccccc3n2C(F)F)s1 32885680 VWTRZPPIHJYOEQ-UHFFFAOYSA-N 365.361 3.808 0 40 FHAB Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(Cl)n1 32932498 HKHAWAZIJZIPCJ-UHFFFAOYSA-N 350.249 3.659 0 40 FHAB COc1ccc(NC(=O)COc2cc(C)nc(-c3ccc(C)cc3)n2)cc1 32951214 DLPIRRPDFCADRK-UHFFFAOYSA-N 363.417 3.787 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)c2ccn(-c3ccccc3)n2)c1 33157490 SLZPWYGIXPNVEJ-UHFFFAOYSA-N 351.406 3.922 0 40 FHAB Cc1c(/C=C2\Sc3nnc(C(F)F)n3N=C2c2ccccc2)cnn1C 35667870 CDTMKAUFPFIKPH-JYRVWZFOSA-N 372.404 3.657 0 40 FHAB OCc1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1CO 36040030 QJIJNGQOZQUGPH-UHFFFAOYSA-N 370.452 3.708 0 40 FHAB COCCCNC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 36182094 ZEXMPSSATFJTIB-UHFFFAOYSA-N 367.474 3.567 0 40 FHAB C[C@H]1C[C@H](OC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)C(=O)O1 36396504 QOEXXANDPDSWKU-LIRRHRJNSA-N 352.386 3.564 0 40 FHAB O=C(Nc1cccc(N2CCOC2=O)c1)c1ccc(Br)cc1 36397547 KNEBPVAXUYQSLF-UHFFFAOYSA-N 361.195 3.658 0 40 FHAB C[C@H](CCN1CC[C@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1)c1ccccc1 36719527 WTNDVPBYVSXRMO-XLIONFOSSA-N 374.488 3.815 0 40 FHAB O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)[C@H]1CC(c2cccc(F)c2)=NO1 36833067 NHPUTVMGQZDRDF-KCQAQPDRSA-N 358.335 3.556 0 40 FHAB CCC(=O)N1CCc2cc(C(=O)Nc3nc4c(s3)CCCCC4)ccc21 40144352 OZBGMGFANHYEQG-UHFFFAOYSA-N 369.490 3.963 0 40 FHAB CCN1CCC[C@H]1CNC(=O)c1c(-c2c(F)cccc2Cl)noc1C 40160255 VBPFFZRYLVQOQE-LBPRGKRZSA-N 365.836 3.657 0 40 FHAB CNC(=O)c1ccc(C)c(NC(=O)N2CCC[C@H]2c2ccc(OC)cc2)c1 44182203 RUQWRBNHLDHGSD-IBGZPJMESA-N 367.449 3.732 0 40 FHAB Cc1cc(C)c(NC(=O)NC2CCN(Cc3ccncc3)CC2)c(C)c1 47323598 JRNWFZLSOSWVPF-UHFFFAOYSA-N 352.482 3.793 0 40 FHAB CCOc1cccc(CNC(=O)c2nnn(-c3ccc(Cl)cc3)c2C)c1 51318093 UTCKCIRFJPWUOF-UHFFFAOYSA-N 370.840 3.558 0 40 FHAB COc1ccc(-c2cc(NC(=O)[C@@H]3CCOC3)ccc2OC(F)F)cc1 58174378 OEFGHDAVMQADBA-CYBMUJFWSA-N 363.360 3.939 0 40 FHAB O=C(NC[C@H](C(=O)O)c1c[nH]c2ccccc12)c1ccc2ccccc2c1 58297516 HTGXXUUFNDPBES-IBGZPJMESA-N 358.397 3.919 0 40 FHAB CC(C)[C@H](NC(=O)c1ccccc1Cl)c1nc(-c2cccnc2)no1 58312149 KRPHBMFEOINNPH-HNNXBMFYSA-N 356.813 3.912 0 40 FHAB C[C@H](c1ccccc1)n1cnnc1SCc1ccc2c(c1)OCCO2 65845409 ZIHZKNFTILRPIH-CQSZACIVSA-N 353.447 3.951 0 40 FHAB COCc1ccccc1CNC(=O)NC[C@H](c1cccs1)N1CCCC1 71913338 NEZFNPCCKBREPH-GOSISDBHSA-N 373.522 3.531 0 40 FHAB O=C(NCc1ccc(F)cc1C(F)(F)F)C1=NO[C@H](c2ccccc2)C1 71965776 DKIZEWMXWUWCSB-INIZCTEOSA-N 366.314 3.978 0 40 FHAB COc1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 72414510 VYFAHWSYGGLZQJ-UHFFFAOYSA-N 353.443 3.841 0 40 FHAB O=C(C[C@H]1OCCc2ccsc21)N(Cc1ccco1)c1ccccn1 89883791 FJHUUOICUSNUQN-MRXNPFEDSA-N 354.431 3.973 0 40 FHAB CCCCC[C@@](C)(O)/C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 90428109 XSGQFHNPNWBVPT-HAZYIFOBSA-N 366.498 3.641 0 40 FHAB O=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N1C[C@H]2CCCCC[C@@H]21 95409224 OUUWMXBDCMQJKW-APWZRJJASA-N 361.507 3.808 0 40 FHAB COc1ccc([C@@H](O)[C@H](C)NC(=O)c2ccc3ccc(Cl)cc3n2)cc1 95444114 FEXNNMUZIBNBRX-BUXKBTBVSA-N 370.836 3.749 0 40 FHAB COc1cc(OC)c(NC(=O)N2CCC[C@@]2(C)CCCO)cc1Cl 95468208 BELIJOVTCHYDAT-KRWDZBQOSA-N 356.850 3.516 0 40 FHAB O=C(Nc1c[nH]nc1[C@H]1CCCN(C(=O)C2CCCCC2)C1)C1CCCC1 95998728 JVBGZLHPMDWMGR-KRWDZBQOSA-N 372.513 3.825 0 40 FHAB COc1ccc(C[C@H]2CN(C(=O)c3cccc(F)c3)CC[C@@H]2OC)cc1 96110559 ZNNSZLQNSLCRQT-PXNSSMCTSA-N 357.425 3.554 0 40 FHAB Cc1n[nH]c(C)c1CCC(=O)N[C@@H]1CCCc2c1[nH]c1ccc(F)cc21 96117744 KIQUMMXARDUOTH-GOSISDBHSA-N 354.429 3.773 0 40 FHAB CO[C@@H]1CCN(c2ccc(NC(=O)NCc3ccc(Cl)cc3)cc2)C1 96122333 LHUVNFMJJQOYKN-GOSISDBHSA-N 359.857 3.887 0 40 FHAB COc1ccc(/C=C2/N=C(c3ccccc3C)OC2=O)cc1OC(F)F 96635174 YKUVLPJWIVCEBR-NTEUORMPSA-N 359.328 3.950 0 40 FHAB O[C@@H](CNCc1ccc(Cl)c(Cl)c1)CN1CCc2ccccc2C1 96797774 UOJIHWBBJXSABY-KRWDZBQOSA-N 365.304 3.502 0 40 FHAB Cc1ccc(CN2CCN([C@@H](C)c3nc(-c4ccccc4)no3)CC2)s1 97032699 CIVQPJAKYSZDHM-INIZCTEOSA-N 368.506 3.985 0 40 FHAB CC(C)=C[C@H]1[C@H](C(=O)N2CCCN(C(=O)c3ccccc3F)CC2)C1(C)C 97135866 OUVBSWOXBSIONV-PKOBYXMFSA-N 372.484 3.739 0 40 FHAB CCOC(=O)c1c(N/C=C2\N=C(c3ccccc3)OC2=O)sc(C)c1C 100209399 KWHNCYPZSPQQLI-UVTDQMKNSA-N 370.430 3.799 0 40 FHAB CCOc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@@]3(C)CC)cc1 102112369 PPQUVYBKYFGHOU-OAQYLSRUSA-N 362.433 3.879 0 40 FHAB O=C(O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1NC1CCCC1 217637173 JPLXCWANOHPTBB-UHFFFAOYSA-N 360.435 3.540 0 40 FHAB Cc1ccc(C)c(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c1 222507645 PVXMDADOZHLGTR-UHFFFAOYSA-N 366.870 3.605 0 40 FHAB COc1cccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1OC 222575412 WSQPAEVDIUXOLO-VUCTXSBTSA-N 355.463 3.688 0 40 FHAB COc1ccc(NS(=O)(=O)c2cc(Cl)ccc2SC)c(OC)c1 223437435 DWASNLLZGXMLKY-UHFFFAOYSA-N 373.883 3.880 0 40 FHAB Cc1ccc(OCCNC(=O)CCc2ccc3c(c2)OCO3)cc1Cl 224182210 YHGGVULBXKMYBC-UHFFFAOYSA-N 361.825 3.505 0 40 FHAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCOc1ccc(C)cc1C 224614215 FUBGBIXWWQCXLT-QGZVFWFLSA-N 357.450 3.665 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 225029977 HPLDVJCSOWXHGI-LIRRHRJNSA-N 373.449 3.747 0 40 FHAB Cc1ccccc1OCC(=O)Nc1cc(C)c(O)c(Br)c1 226243012 QJAJQPRHNWBXFB-UHFFFAOYSA-N 350.212 3.789 0 40 FHAB COC(=O)c1cc(Cl)c(OCc2cccnc2)c(Br)c1 226340643 NHJIRRKFKLHSIR-UHFFFAOYSA-N 356.603 3.863 0 40 FHAB Cc1noc(C)c1-c1cc(C[C@@H]2CCCN(C(=O)C(C)C)CC2)ncn1 257205353 AYQQLRIQKCJLRT-MRXNPFEDSA-N 356.470 3.576 0 40 FHAB O=C(c1cnccn1)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257216969 CWXKJQOSRFTGQB-KRWDZBQOSA-N 368.824 3.686 0 40 FHAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@](O)(c3ccoc3)CC[C@]12O 271773229 AEAPORIZZWBIEX-HIEUDIASSA-N 374.521 3.986 0 40 FHAB COc1ccc2nc(Sc3oc(C=O)cc3Br)[nH]c2c1 408555661 HWDAZKIPXDUKSZ-UHFFFAOYSA-N 353.197 3.891 0 40 FHAB CC[C@@H](C)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 409380299 BLHCBNIWYHCYFL-YJYMSZOUSA-N 358.463 3.582 0 40 FHAB C[C@H]1NCC[C@@H]1C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 580711527 GQCDLXXZVSIEGI-YGRLFVJLSA-N 369.412 3.689 0 40 FHAB Cc1cc(C(=O)Nc2c(C)cccc2OC(F)F)n(C2CCOCC2)n1 636767931 KOYNUEKKLDUVCZ-UHFFFAOYSA-N 365.380 3.705 0 40 FHAB Cc1cc(C(=O)N2CCC[C@H]2CC(=O)c2cnn(C)c2)c(C)cc1Cl 684463527 BRHGBALNOPJESC-HNNXBMFYSA-N 359.857 3.568 0 40 FHAB Cc1ccc(S(=O)(=O)C2=NNc3c(-c4ccccc4)cnn3[C@@H]2C)cc1 1548338246 PSCOTXPESUWNLO-CQSZACIVSA-N 366.446 3.632 0 40 FHAB CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC1CCC(C2CCCCC2)CC1 1658064272 DOHILROMTWFPFQ-CQJJOKNBSA-N 370.603 3.823 0 40 FHAB COc1ccccc1-c1nnc(C2CCN(c3ncncc3F)CC2)s1 1888904119 VLDIOAVSABJBHK-UHFFFAOYSA-N 371.441 3.527 0 40 FHAB O=C(Nc1cccnc1Cl)c1cc2nc(C(F)F)cc(C(F)F)n2n1 652800 VORZNIFSGSPOQQ-UHFFFAOYSA-N 373.697 3.905 0 40 FHAB CCOc1ccc([C@H]2NC(=O)N(C)C(C)=C2C(=O)Nc2ccccc2)cc1 675859 XJMGZCJFPAGTOM-LJQANCHMSA-N 365.433 3.694 0 40 FHAB NNc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCc1ccccc1-3 797598 WJXQYMQNOCZFKI-UHFFFAOYSA-N 374.469 3.558 0 40 FHAB Cc1ccc(OCc2nnc(S[C@@H](C)C(=O)O)n2-c2ccccc2)cc1 915908 PYDRCMJVYYEFPU-AWEZNQCLSA-N 369.446 3.720 0 40 FHAB O=C(O)[C@@H]1CS[C@H](c2ccccc2Cl)N1C(=O)c1ccccc1F 974397 IHTFQSGSXXUYSH-GOEBONIOSA-N 365.813 3.820 0 40 FHAB COc1ccc2[nH]cc(CCn3cnc4c([nH]c5ccc(C)cc54)c3=O)c2c1 2154308 YHBZLLHMKXJBAX-UHFFFAOYSA-N 372.428 3.919 0 40 FHAB biogenic O=C1CCCN1CCCNc1ncnc2scc(-c3ccccc3)c12 3444804 ADZYHKRYTRTHFJ-UHFFFAOYSA-N 352.463 3.783 0 40 FHAB Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 3481583 CQXIORRNDQMITB-UHFFFAOYSA-N 372.490 3.812 0 40 FHAB CCOc1cc([C@H]2c3c(C)n[nH]c3C(=O)N2c2ccc(C)cc2)ccc1O 4040180 SYCGSKDDMSLKCH-FQEVSTJZSA-N 363.417 3.881 0 40 FHAB Cc1ccc(NC(=O)COCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1Cl 4681347 VESUGRZOBNUSRC-HACGYAERSA-N 366.889 3.544 0 40 FHAB O=C1OC(c2ccccc2)=N/C1=C\c1cc2c(cc1Br)OCO2 4696728 IGGZYVYYJFVEBP-MLPAPPSSSA-N 372.174 3.522 0 40 FHAB CCc1ccccc1N1C(=O)N[C@H]2C[C@]1(C)Oc1ccc(C(=O)OC)cc12 4852896 LPGBGQFNYOUILP-KKSFZXQISA-N 366.417 3.805 0 40 FHAB Cc1ccc(OCCCn2nnc3sc4c(c3c2=O)CCCC4)cc1 5182256 YVWXZMXZKGBPJV-UHFFFAOYSA-N 355.463 3.509 0 40 FHAB CC(C)c1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 5194868 VEMGVDWBZIKANJ-KRWDZBQOSA-N 355.413 3.876 0 40 FHAB COc1ccc(C)cc1NC(=O)c1cccn(Cc2ccccc2C)c1=O 5269227 SGUWIOCXIKZOQO-UHFFFAOYSA-N 362.429 3.774 0 40 FHAB Cc1ccc(C)c(Cn2cccc(C(=O)Nc3ccc(F)cc3)c2=O)c1 5269994 YNISFNPLBJHRDL-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB O=C(COC(=O)c1cc2c(s1)CCCC2)NCCCc1ccccc1 5307841 UKSHLVJJIKCFNZ-UHFFFAOYSA-N 357.475 3.533 0 40 FHAB CCCn1c(C)cc(C(=O)COC(=O)Cc2c[nH]c3ccccc23)c1C 5400596 FQOKSIPEOMUXCN-UHFFFAOYSA-N 352.434 3.965 0 40 FHAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N(C)Cc1ccccc1 5400668 NORHVAUMQVETFN-ZDUSSCGKSA-N 356.495 3.630 0 40 FHAB Cc1sc(N)nc1-c1cc(Br)cc(Br)c1O 5587348 TTXDCIUHIFEHLE-UHFFFAOYSA-N 364.062 3.931 0 40 FHAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)OC/C=C/c2ccccc2)c1 5623406 ZYBLEDISSFHUTI-DHZHZOJOSA-N 373.474 3.586 0 40 FHAB CC(=O)NCCc1ccc(C(=O)CSc2nc3cc(C)ccc3[nH]2)cc1 6608530 JBJNELYHRLTVRT-UHFFFAOYSA-N 367.474 3.525 0 40 FHAB CC1(C)[C@]2(C(=O)N(Cc3ccccc3)c3ccccn3)CC[C@@]1(C)C(=O)O2 6661117 UWXBAVGGXXDSEK-FCHUYYIVSA-N 364.445 3.737 0 40 FHAB Cc1ccc(CC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1C 6790696 IZNALMODGINILG-UHFFFAOYSA-N 358.869 3.975 0 40 FHAB Cn1nc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1C(F)(F)F 6925465 DGIJJZLSLLDFKT-UHFFFAOYSA-N 352.360 3.957 0 40 FHAB COc1ccc2nc(S[C@H](C)C(=O)N(C)Cc3cccc(F)c3)[nH]c2c1 6972485 LEQIOARSTRGEBB-GFCCVEGCSA-N 373.453 3.850 0 40 FHAB CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 7054073 QGVKVDKPSDBSLO-UHFFFAOYSA-N 372.899 3.684 0 40 FHAB O=C(NCc1ccccc1CN1CCCCC1)c1cc(-c2ccccc2)[nH]n1 7118823 CDYHXINPLITQME-UHFFFAOYSA-N 374.488 3.993 0 40 FHAB CCOc1cc2c(cc1/C=C/C(=O)NCc1ccc(F)cc1)O[C@@H](C)C2 7345600 PVYNSRQEAQXIMO-MRZGDXHCSA-N 355.409 3.877 0 40 FHAB Cc1ccccc1OCC(=O)N1CCN(c2cc(Cl)ccc2C)CC1 7724543 BHXAXAKVSBAZCA-UHFFFAOYSA-N 358.869 3.684 0 40 FHAB CCCCn1nc(C(=O)NCCC2=CCCCC2)c2ccccc2c1=O 7989519 QHBRGETVSDGRME-UHFFFAOYSA-N 353.466 3.817 0 40 FHAB Cc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8310282 DTATYOIEPYFIFK-LJQANCHMSA-N 366.461 3.932 0 40 FHAB CCOc1ccc(CNn2c(-c3ccncc3)n[nH]c2=S)cc1OCC 8324960 MOTCTUOCDNOVIN-UHFFFAOYSA-N 371.466 3.544 0 40 FHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2c(C)cccc2C)cc1 8433705 JXEROGALSQFDIB-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB Cc1cccc(OCCOC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1 8713494 IAMQFDQMZHLVCD-ZDUSSCGKSA-N 357.431 3.664 0 40 FHAB COc1ccc2c(c1)c1nnc(SC)nc1n2Cc1ccc(F)cc1 9060905 GBJQKPXNDYKJGN-UHFFFAOYSA-N 354.410 3.897 0 40 FHAB C[C@H]1CCCN(C(=O)c2oc3ccccc3c2CSc2ncn[nH]2)C1 9113245 LVCPQANVFXREHU-LBPRGKRZSA-N 356.451 3.715 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)OCc1nc(N)c2ccccc2n1 9157328 KCQLHYSXIFGXKR-UHFFFAOYSA-N 362.364 3.565 0 40 FHAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1nc(-c2ccccc2)no1 9576840 KQTHTKWEHBRUOJ-UHFFFAOYSA-N 366.808 3.844 0 40 FHAB Cc1ccc(CNC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCC2)cc1 11387126 KLKXPADJWCHOJL-UHFFFAOYSA-N 371.864 3.930 0 40 FHAB Cc1cc2nc(C3CCN(Cc4ccc(Cl)cc4)CC3)cc(N)n2n1 12121501 TUMPHMPUOVDRNR-UHFFFAOYSA-N 355.873 3.653 0 40 FHAB Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1C 12293492 TVUCETDCRVUAOQ-NHCUHLMSSA-N 367.489 3.688 0 40 FHAB Cc1cccc(N2CCN(Cn3nc(C4CC4)n(C4CC4)c3=S)CC2)c1 12543092 ASWASPODVXSTFF-UHFFFAOYSA-N 369.538 3.715 0 40 FHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CSc2nncs2)cs1 12886718 HZFWTBSVVQGNMQ-UHFFFAOYSA-N 374.516 3.651 0 40 FHAB Cc1cc(C)c(OCC(=O)Nc2ccccc2N2CCCC2=O)c(C)c1 12917540 RTUHWMUKAWUEEY-UHFFFAOYSA-N 352.434 3.756 0 40 FHAB COc1cccc(C(=O)Nc2nonc2-c2nc3ccccc3s2)c1 13364801 ZKEVNXLHTSERNW-UHFFFAOYSA-N 352.375 3.607 0 40 FHAB COc1ccc(SCC(=O)Nc2cc(C)nn2-c2ccccc2)cc1 13701232 SPUMKZBIEBIZIT-UHFFFAOYSA-N 353.447 3.920 0 40 FHAB Cc1ccc(N(Cc2ccco2)C(=O)c2ccc(S(C)(=O)=O)cc2)cc1 15497668 OECDNICOZKRUQZ-UHFFFAOYSA-N 369.442 3.839 0 40 FHAB Cc1ccc(-n2ncc3c(Nc4ccc5c(c4)OCO5)ncnc32)cc1C 17120460 SEHQBWOPBLRCPY-UHFFFAOYSA-N 359.389 3.905 0 40 FHAB CC(C)c1ccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)c(=O)[nH]1 19453133 HKLPWNIIOIWYMN-UHFFFAOYSA-N 357.429 3.880 0 40 FHAB CCN(Cc1cccc(F)c1)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 19541020 JNLRNBNJGISOJW-UHFFFAOYSA-N 357.454 3.635 0 40 FHAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(C(=O)O)c(Cl)c2)c1 20152160 ZCVSLXJIRLBUGU-UHFFFAOYSA-N 362.838 3.782 0 40 FHAB COc1ccc([C@H](C)NC(=O)CSc2ccc(OC)c(OC)c2)cc1 20459929 JMCDPOJUSPRTLF-ZDUSSCGKSA-N 361.463 3.682 0 40 FHAB Cc1sc(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)nc1-c1ccccc1 23078705 UCOHWCUSJLSLCL-FZKQIMNGSA-N 373.503 3.511 0 40 FHAB O=C(Nc1nncs1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 24770404 JFXQCJJDZGEZCJ-UHFFFAOYSA-N 371.809 3.890 0 40 FHAB CC(=O)Nc1ccc(CC(=O)OCc2nc3ccccc3n2C(F)F)cc1 25620586 UGNVBRCYDGKWCA-UHFFFAOYSA-N 373.359 3.676 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1nnc(CC(C)C)s1 26767666 DTIVACWQQHNMIN-UHFFFAOYSA-N 369.494 3.720 0 40 FHAB Cc1nc(S[C@@H](C)C(=O)NC(=O)Nc2ccccc2)n(CC(C)C)c1C 29445606 PBUBHQWENDQEHV-HNNXBMFYSA-N 374.510 3.985 0 40 FHAB Cn1c(=O)n2nc(-c3ccccc3)nc2c2c(-c3ccccc3)csc21 32106262 JYLHFNXVLRXLMG-UHFFFAOYSA-N 358.426 3.977 0 40 FHAB O=C(Cc1cn2ccccc2n1)N1CC=C(c2c[nH]c3ccccc23)CC1 32461693 UWZABINIGJFIJY-UHFFFAOYSA-N 356.429 3.674 0 40 FHAB CCc1ccc(OCC(=O)Nc2cccc(Cl)c2)c(-n2cnnc2)c1 32646881 BALCFYRSAWBLFT-UHFFFAOYSA-N 356.813 3.501 0 40 FHAB COc1cc(/C=C/C(=O)Nc2ccc(NC(C)=O)c(C)c2)cc(OC)c1 32754069 PGGDPJAETOWQAA-VMPITWQZSA-N 354.406 3.623 0 40 FHAB FC(F)(F)c1ccc(N2CCC[C@@H]2c2nnc3n2CCCCC3)nc1 32779209 KNLPKQZQAQMROL-CYBMUJFWSA-N 351.376 3.760 0 40 FHAB COC(=O)c1cccc(CSc2nccn2-c2cccc(OC)c2)c1 32865526 WZUYJNAIMFBBDZ-UHFFFAOYSA-N 354.431 3.960 0 40 FHAB CC(=O)c1c(C)nc(-c2ccco2)nc1SCC(=O)Nc1ccccc1 32902138 IOUKHNRVOXZCGW-UHFFFAOYSA-N 367.430 3.978 0 40 FHAB O=C(NCc1cccc(OCc2ccccn2)c1)c1ccc(F)cc1F 32930590 HUTJLNUPSGWJDG-UHFFFAOYSA-N 354.356 3.869 0 40 FHAB C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)N4CCCC[C@H]4C)cc3c2C1 32945343 GCGHACWXFHXKGM-LSDHHAIUSA-N 368.477 3.851 0 40 FHAB O=C(NC1CCCCCC1)/C(=C/c1ccco1)NC(=O)c1ccccc1 34694834 FDYZEIQAMOHAJS-CYVLTUHYSA-N 352.434 3.890 0 40 FHAB C[C@H]1CCCC[C@@H]1OCCNC(=O)c1cc(F)ccc1Br 36393520 ICPGFAQNAPQHKK-NHYWBVRUSA-N 358.251 3.913 0 40 FHAB CCCn1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3CCC)n1 36616806 JIQIWAIRHYPEJD-UHFFFAOYSA-N 352.442 3.578 0 40 FHAB COc1cc(C(=O)N2CCO[C@@H](C)C2)cc(Cl)c1OCCC(C)C 40024223 GHRZNNLVQIPHFX-ZDUSSCGKSA-N 355.862 3.634 0 40 FHAB COCCCC(=O)Nc1cccc(C(=O)N2CCc3sccc3C2)c1C 40132727 AJQOYIXTFXICBT-UHFFFAOYSA-N 372.490 3.620 0 40 FHAB O=C(c1cccs1)N1CCC(C(=O)N2CCCCc3ccccc32)CC1 40133970 ATHGSSPHHRJAAM-UHFFFAOYSA-N 368.502 3.970 0 40 FHAB CCC(=O)N1CCC[C@@H](C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)C1 40146619 TZNHGSBWCJWWCT-BEFAXECRSA-N 374.481 3.741 0 40 FHAB Cc1cccc(OCCNC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1 44017367 OZBPWSRJZOWYCV-UHFFFAOYSA-N 369.465 3.724 0 40 FHAB CN(Cc1ccco1)C(=O)COc1ccc(Br)cc1Cl 44508782 OHSZPPIHIDBAEY-UHFFFAOYSA-N 358.619 3.733 0 40 FHAB COC(=O)c1ccoc1CN1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 47257359 JPDWVMQDYSAHME-UHFFFAOYSA-N 366.417 3.845 0 40 FHAB Cc1ccc(NC(=O)CSc2nccnc2-n2nc(C)cc2C)c(C)c1 49404418 QFGGRHPTWNHUCD-UHFFFAOYSA-N 367.478 3.627 0 40 FHAB CN(Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1)Cc1ccco1 57327253 NNCCEZLNYVICAT-UHFFFAOYSA-N 351.431 3.877 0 40 FHAB COc1ccc(NC(=O)[C@H]2CCCN2Cc2csc(C(C)C)n2)cc1 58065386 FENCZYCGDPJOAO-QGZVFWFLSA-N 359.495 3.878 0 40 FHAB COc1ccc(CNC(=O)[C@H](C)NCc2cccc(C(F)(F)F)c2)cc1 58137770 OEKYKPCODCAABJ-ZDUSSCGKSA-N 366.383 3.509 0 40 FHAB O=C(c1nnn(-c2ccccc2Cl)c1-c1cccnc1)N1CCCCC1 67262539 MTFFBBVMLUCCIL-UHFFFAOYSA-N 367.840 3.609 0 40 FHAB O=C(c1cccc[n+]1[O-])N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 72313418 VCVJQAJBHRAODZ-OAHLLOKOSA-N 350.340 3.706 0 40 FHAB Fc1ccc(Oc2nccnc2C2CCN(C3CCOCC3)CC2)cc1 72362855 GNFDVRXBZUXNAZ-UHFFFAOYSA-N 357.429 3.766 0 40 FHAB Cc1nn(C(C)C)c(C)c1-c1nn2c(Cc3ccccc3)nnc2s1 79488410 BLAPTXWIPURHDG-UHFFFAOYSA-N 352.467 3.838 0 40 FHAB COCCOC[C@@H]1CCN(C(=O)c2ccccc2Nc2ccccc2)C1 81267189 TWPZLTQYZBTBLY-QGZVFWFLSA-N 354.450 3.555 0 40 FHAB Cc1ccccc1N1CC[C@@H](CNC(=O)c2ccc3nc(C)c(C)nc3c2)C1 95379598 FPPLUCBFLUJQES-SFHVURJKSA-N 374.488 3.811 0 40 FHAB CCC1(CNC(=O)c2ccc(Cl)cc2I)CC1 95964151 UIRPWZZOGRDMNQ-UHFFFAOYSA-N 363.626 3.865 0 40 FHAB Cc1ccc(CN(CCO)C(=O)Cc2c(Cl)cccc2Cl)cc1 96009091 KDHPYRCRXSGLLR-UHFFFAOYSA-N 352.261 3.865 0 40 FHAB CNC(=O)C[C@H]1CC2(CCN(C(=O)C3CCCCC3)CC2)c2ccccc21 96079440 VCRNMCRRNICNOB-SFHVURJKSA-N 368.521 3.751 0 40 FHAB Cc1nc(N(C)C)nc(C)c1NC(=O)Nc1cccc(C(F)(F)F)c1 96098638 OMUCXVUUUAYHOF-UHFFFAOYSA-N 353.348 3.822 0 40 FHAB CCc1ccc(NC(=O)N2CC[C@@]3(C[C@@H]3C(=O)Nc3cccnc3)C2)cc1 96226899 VYSHIZQHEWEMAE-WIYYLYMNSA-N 364.449 3.527 0 40 FHAB c1ccc(-c2nc3nc(-c4cccs4)nc(N4CCOCC4)c3o2)cc1 96346486 BDNRVSIBBBGBRB-UHFFFAOYSA-N 364.430 3.850 0 40 FHAB COc1ccc2c(c1)CN(C(=O)Nc1ccn(C)n1)[C@@H](C1CCCCC1)C2 97164696 LMBBMENYBXGKNA-LJQANCHMSA-N 368.481 3.968 0 40 FHAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccccc1 98174790 QNIQCNVCVMLXAZ-HBMCJLEFSA-N 370.408 3.738 0 40 FHAB CN(C(=O)Cn1cccc1-c1nc(-c2ccccc2)no1)c1ccccc1 98211337 DBVALZGPQAGHFL-UHFFFAOYSA-N 358.401 3.868 0 40 FHAB CC(=O)N[C@@H]1C(=O)N(CCOc2ccc(Cl)cc2)c2c(C)cc(C)cc21 100485663 VUGONEFBLNQXJS-SFHVURJKSA-N 372.852 3.560 0 40 FHAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@@H](c4cccnc4)C3=C(O)C2)cc1 102674735 HMMCCBYGWYXRHO-YWZLYKJASA-N 373.416 3.747 0 40 FHAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1ccco1 222830831 ZGRKXIGIGDEPHU-AWEZNQCLSA-N 362.857 3.767 0 40 FHAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CC 224328605 UJTPDSVFALMCJG-FQEVSTJZSA-N 370.468 3.702 0 40 FHAB CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccccc1 224669493 XPWCMZUEDJIGDU-UHFFFAOYSA-N 354.269 3.973 0 40 FHAB O=C(NCc1cncc(-c2cccs2)c1)Nc1ccc2c(c1)OCO2 225668065 IHOJSQUQSIACAZ-UHFFFAOYSA-N 353.403 3.861 0 40 FHAB CCCCOc1ccc(NC(=O)[C@](C)(OC)C2CC2)cc1C(=O)OCC 225812258 MQHNNTMBFPQFOW-HXUWFJFHSA-N 363.454 3.796 0 40 FHAB CCCn1nccc1-c1cc(C)nc([C@H]2CCCN2C(=O)C(C)(C)C)n1 257199708 AAOMQQVKXPXKKV-QGZVFWFLSA-N 355.486 3.768 0 40 FHAB O=C(NC[C@@H]1CCCC[C@H]1c1ccccc1)N1CCO[C@@]2(CCCOC2)C1 333704780 SAXUVCRFSVTBSP-ONTIZHBOSA-N 372.509 3.551 0 40 FHAB CCCCNC(=O)c1cc2c(N3CCCC3)nc(SC)nc2s1 408617707 DOBPWBOQZUKHGT-UHFFFAOYSA-N 350.513 3.543 0 40 FHAB NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1-c1ccccc1 502661196 PAGKNVUCMWHGMP-FQEVSTJZSA-N 359.429 3.572 0 40 FHAB Cc1[nH][nH]c(=NC(=O)[C@@H](C)[C@H]2OCCc3sccc32)c1-c1ccccc1 517679951 FHQCUQQVXCAASF-KPZWWZAWSA-N 367.474 3.757 0 40 FHAB Cc1ccc(=Nc2cccc(C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c2)[nH]n1 522984686 GXKFBAYORMCQCN-IUVQAAGXSA-N 350.466 3.505 0 40 FHAB O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)N[C@H]1CCCn2ccnc21 655712137 QJUSBUWPDLIEEM-VQTJNVASSA-N 360.461 3.558 0 40 FHAB O=C(NCc1nccnc1-c1cccs1)c1ccc(-n2cccc2)cc1 675008308 QDXNCYYKOGVKEL-UHFFFAOYSA-N 360.442 3.926 0 40 FHAB COc1ccc2[nH]c(C(=O)N(C)C[C@@H]3CCCN4CCCC[C@@H]34)c(C)c2c1 1565519205 VCKSGUBHYBXYPS-JXFKEZNVSA-N 369.509 3.821 0 40 FHAB biogenic Cc1ncnc(N2CCC(COc3cccc(C(F)(F)F)n3)CC2)c1C 1775995149 FKRZMXHDIXUUKT-UHFFFAOYSA-N 366.387 3.803 0 40 FHAB C[C@@H](c1ccccc1)N1CCC(Oc2ncc(Br)cn2)CC1 1888859947 ZODJGDRPVBQVKM-ZDUSSCGKSA-N 362.271 3.844 0 40 FHAB C=CC(=O)Nc1cccc(-c2ncnc3c2CCN3C(=O)OC(C)(C)C)c1 2362804400 WDDWVKMUJLXOGA-UHFFFAOYSA-N 366.421 3.566 0 40 FHAB c1ccc(-n2c(SCCN3CCCCC3)nnc2-c2cccnc2)cc1 892488 NUBKMAIRGSYMHP-UHFFFAOYSA-N 365.506 3.907 0 40 FHAB CCCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1cccnc1 1362291 GAWOIZBRMTVDTJ-GOEBONIOSA-N 373.526 3.537 0 40 FHAB O=C(c1ccc(Br)cc1)N1C=CC(C(F)(F)Cl)=NCC1 1396109 XTULUFMXOTXIKU-UHFFFAOYSA-N 363.589 3.691 0 40 FHAB CCOC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2C)nc1C 2739219 JEMYLZLPLKUXPO-UHFFFAOYSA-N 368.842 3.608 0 40 FHAB Cc1nn(C)cc1-c1cc(C(F)(F)F)n2nc(C)c(Br)c2n1 2787659 YYNRSUOZGUJANP-UHFFFAOYSA-N 374.164 3.528 0 40 FHAB COc1ccc(-n2nc(C(=O)Nc3ccccc3)c3ccccc3c2=O)cc1 3015938 CECGNGKBIVORSA-UHFFFAOYSA-N 371.396 3.647 0 40 FHAB O[C@H](CN1CCc2ccccc2C1)Cn1c2c(c3ccccc31)CCCC2 3181552 BXUIDPQAETUCEV-HXUWFJFHSA-N 360.501 3.939 0 40 FHAB O=C(COC(=O)c1c(F)cccc1F)Nc1nc(-c2ccccc2)cs1 3223127 RQQDAQZJOWRNKM-UHFFFAOYSA-N 374.368 3.884 0 40 FHAB Cc1cc(Br)ccc1NC(=O)COC(=O)c1cccs1 3379345 IKUPOKQDNHRELV-UHFFFAOYSA-N 354.225 3.615 0 40 FHAB CN1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(Cl)c2)CC1 3552996 ZDLVMIBRPNGQHI-UHFFFAOYSA-N 364.276 3.998 0 40 FHAB CCOC(=O)c1oc2ccccc2c1NC(=S)NC(=O)c1ccccc1 4135341 DIRWQZKTZPQSHR-UHFFFAOYSA-N 368.414 3.736 0 40 FHAB CCOc1ccc(CNc2n[nH]c(NCc3ccc(OCC)cc3)n2)cc1 4704917 UVBOUHNKLVAIKU-UHFFFAOYSA-N 367.453 3.826 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)c3ccccc3)o2)c(OC)c1 5170813 QGAQUSPROOINQK-UHFFFAOYSA-N 356.403 3.729 0 40 FHAB Cc1ccc(C(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)cc1 5181274 WTLUZMSBHOQOCD-UHFFFAOYSA-N 355.438 3.706 0 40 FHAB COc1cc2c(cc1OC)CN(CC(=O)C13CC4CC(CC(C4)C1)C3)CC2 5244475 WBKRUUDJWJXTKU-UHFFFAOYSA-N 369.505 3.847 0 40 FHAB O=C(Nc1ccc(F)cc1)c1cnc2scc(-c3ccccc3)n2c1=O 6344809 LRRITDLGRZYMLF-UHFFFAOYSA-N 365.389 3.814 0 40 FHAB c1cncc(-c2nc(NC[C@H]3CCCO3)c3c4c(sc3n2)CCC4)c1 6399438 YTVCNDUGSRTEOO-CYBMUJFWSA-N 352.463 3.833 0 40 FHAB COc1ccc(OC)c(C(=O)OCC(=O)Nc2cccc3ccccc23)c1 6552045 QCXAHVNKLKCQLG-UHFFFAOYSA-N 365.385 3.653 0 40 FHAB C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCc2ccccc21 6553035 IFPPYKFQTFZFTB-LBPRGKRZSA-N 350.340 3.975 0 40 FHAB CCCCCC(=O)OCC(=O)Nc1nc2c(F)c(F)c(F)cc2s1 7015514 KWIIZWROKOSKCK-UHFFFAOYSA-N 360.357 3.776 0 40 FHAB O=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccc2c(c1)OCO2 8193976 JGJYDYFHCPJBRI-UHFFFAOYSA-N 370.430 3.711 0 40 FHAB Cc1nc(Cc2nnc(SCc3cc(-c4ccco4)on3)o2)cs1 8312353 SUUCKDSBCMNNND-UHFFFAOYSA-N 360.420 3.966 0 40 FHAB C[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1cccc2ccccc12 8313716 ZFWKPLDWCKQDER-AWEZNQCLSA-N 353.443 3.734 0 40 FHAB CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3cccs3)ccc21 8840716 DMJQNDDEXNOTCK-UHFFFAOYSA-N 364.492 3.628 0 40 FHAB CC(=O)NC(=S)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1 9064225 LLZGMDIIUJOZLN-UHFFFAOYSA-N 353.403 3.518 0 40 FHAB Cc1ccc(NC2=NN=C(c3ccc4c(c3)NC(=O)CO4)CS2)cc1C 9155938 CNRQLZGKWXKKSI-UHFFFAOYSA-N 366.446 3.553 0 40 FHAB O=C1N[C@H](c2cc(Br)ccc2OC(F)F)Nc2ccccc21 9221289 UCTPOVKHYOWAAB-CYBMUJFWSA-N 369.165 3.905 0 40 FHAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(-c2nccs2)cc1 9337229 IBEMFPMONJIIJJ-SJKOYZFVSA-N 352.415 3.977 0 40 FHAB O=C(CSc1nc2ccccc2n1C(F)F)NCCc1ccccc1 9367290 BBTICMZRWRKBLS-UHFFFAOYSA-N 361.417 3.882 0 40 FHAB CC(=O)Nc1nc(-c2ccccc2)c(NC(=O)Cc2ccccc2)s1 9485991 WLLMNFMDRLXDNP-UHFFFAOYSA-N 351.431 3.950 0 40 FHAB CCC1CCC2(CC1)NC(=O)N(Cc1ccc(Br)cc1)C2=O 9953419 HLQHXAIRTCAIEZ-UHFFFAOYSA-N 365.271 3.840 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)N(Cc1cccs1)C[C@@H]1CCCO1 9977193 AMZSMIZRIOAMIK-AWEZNQCLSA-N 360.435 3.690 0 40 FHAB O=C1NC2(CCCCC2)C(=O)N1CN1CCC(CCc2ccccc2)CC1 10032766 FUECTWRBZDABJJ-UHFFFAOYSA-N 369.509 3.543 0 40 FHAB COc1cc(C(=O)NCC2(c3ccccc3)CCC2)cc(OC)c1OC 10221318 AXKPCWJTEWCNGH-UHFFFAOYSA-N 355.434 3.564 0 40 FHAB O=C(NC1CCN(C(=O)c2ccco2)CC1)c1ccc2c3c(cccc13)CC2 11531130 LQONQGPUIHAGJW-UHFFFAOYSA-N 374.440 3.566 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)CCCCCC(=O)Nc2ccccc2)cc1 11667620 GMPQASWUBHVEPX-UHFFFAOYSA-N 374.506 3.815 0 40 FHAB COc1cc2c(cc1CN1CCC(O)(c3ccc(F)cc3)CC1)CCC2 12363599 IFPYZSPCWQHAFM-UHFFFAOYSA-N 355.453 3.807 0 40 FHAB COc1cccc(NC(=O)N2CCC[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C)C2)c1 12471734 OASMZMFZFUKDCS-TXPKVOOTSA-N 373.497 3.634 0 40 FHAB O=C(N[C@H](Cc1ncc[nH]1)c1ccccc1)c1ccc(OC(F)F)cc1 12531934 XRAARQAPRUUHKY-MRXNPFEDSA-N 357.360 3.725 0 40 FHAB COc1cc(OC)c(C(=O)N(C)Cc2c(F)cccc2Cl)cc1OC 12622692 KZGDQMMDGQLHIB-UHFFFAOYSA-N 367.804 3.777 0 40 FHAB O=C(NCc1ccc(Cn2cccn2)cc1)c1ccccc1Br 12625956 KGSRGXWZNBSSQD-UHFFFAOYSA-N 370.250 3.624 0 40 FHAB COc1cc(NC(=O)Cc2nc(-c3cccs3)oc2C)cc(OC)c1 12732929 INSJZCCWWHTOQT-UHFFFAOYSA-N 358.419 3.910 0 40 FHAB O=C(c1cccc(F)c1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 12868008 SCDIHNGNBNGTHK-UHFFFAOYSA-N 362.404 3.577 0 40 FHAB COc1ccc(CC(=O)Nc2cccc3c2CCCC3)c(OC)c1OC 12930510 YFLAJXBLUKMOJE-UHFFFAOYSA-N 355.434 3.772 0 40 FHAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1ccc(Cl)cc1F 15591831 CJADBOKGBXEBCA-UHFFFAOYSA-N 363.772 3.852 0 40 FHAB O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 15961262 LNZUWUFBYHAPLI-MRXNPFEDSA-N 374.843 3.648 0 40 FHAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c(C)c1 16031571 LLJWQQATGJJKRI-UHFFFAOYSA-N 372.490 3.649 0 40 FHAB Cc1cc(C(=O)OCC(=O)N2CCCC[C@@H]2C)c(C)n1Cc1ccccc1 16685143 AOHQBHYUJFVOJO-INIZCTEOSA-N 368.477 3.711 0 40 FHAB CCC[C@H](C)c1c(O)nc(Nc2nc(C)c3cccc(C)c3n2)[nH]c1=O 17950006 BHSMAYWFIYHKBS-JTQLQIEISA-N 353.426 3.683 0 40 FHAB Cn1nc(-c2ccc(F)cc2)cc1NC(=O)CCNc1ccc(Cl)cn1 19660828 IOHJQPFMZLXBSN-UHFFFAOYSA-N 373.819 3.715 0 40 FHAB COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(C)cc1C)N(C)CC3)OCO2 20112441 NSRIASSFWODPJL-QGZVFWFLSA-N 367.445 3.843 0 40 FHAB biogenic Cc1c(C(=O)N2CCC[C@@H](C(F)(F)F)C2)[nH]c2c1C(=O)CC(C)(C)C2 21961195 ZFLVCCFAXMPALR-LLVKDONJSA-N 356.388 3.893 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c1 22018666 APJCZRBGUWBEMP-UHFFFAOYSA-N 357.797 4.000 0 40 FHAB COCc1ccc(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)cc1 24060956 BBXDMSABZJZGIA-UHFFFAOYSA-N 374.484 3.944 0 40 FHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc2c3c(cccc13)CC2 24662824 FUDGGCFISBIRRV-QGZVFWFLSA-N 359.425 3.850 0 40 FHAB O=C1CCCN1Cc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cc1 25453375 GLFLXMDOUMCDCI-QGZVFWFLSA-N 354.475 3.848 0 40 FHAB COc1ccc(CC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 27662189 AHOXJWOHDZHXJV-FQEVSTJZSA-N 372.896 3.844 0 40 FHAB biogenic COc1ccc([C@@H](CNC(=O)Nc2ccccc2C)N2CCCC2)cc1 28247773 OQXQPTMJKHTTCB-HXUWFJFHSA-N 353.466 3.962 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CSc1ccncc1 32525782 DCKCHCIAMBJIBV-UHFFFAOYSA-N 366.490 3.635 0 40 FHAB Cc1ccc(C(=O)CCC(=O)N(C)C[C@H]2COc3ccccc3O2)cc1C 32747916 WHTCQKMVLNWLSM-SFHVURJKSA-N 367.445 3.565 0 40 FHAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1nc2ccccc2s1 32829823 NJAWEJUAZVFTPF-CYBMUJFWSA-N 370.430 3.654 0 40 FHAB CC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)N[C@@H]1CCCC[C@H]1C 32908148 OIIRIKGUEFDUCO-IAQYHMDHSA-N 361.511 3.652 0 40 FHAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1cccc2cccnc12 32983126 RKMWGGGRFHRSRF-UHFFFAOYSA-N 362.385 3.608 0 40 FHAB O=C(O)CCCn1cc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cn1 35316229 SBBAQZZFARROIF-GQCTYLIASA-N 368.220 3.707 0 40 FHAB CCN(CC)[C@@H](CNC(=O)CCC(=O)c1cccs1)c1ccccc1 39975658 JSFNRTNJTJZAOZ-KRWDZBQOSA-N 358.507 3.910 0 40 FHAB CCN(CC)C[C@@H](NC(=O)NCCc1ccc(F)cc1)c1ccccc1 40058079 XKWZECGHPCXHRU-HXUWFJFHSA-N 357.473 3.751 0 40 FHAB CCN1CCc2nc(NC(=O)/C=C/c3ccc([C@@H]4C[C@@H]4C)o3)sc2C1 41974113 ZOZKASDYEMQXJD-LFHSMUGYSA-N 357.479 3.889 0 40 FHAB CCN1CCC(NC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 47979779 UFNVCLKIJMZPRZ-OAHLLOKOSA-N 353.919 3.660 0 40 FHAB CSc1cccc(NC(=O)CSc2nccc(N3CCCC3)n2)c1 49399586 XZIJYSVNVMZWIS-UHFFFAOYSA-N 360.508 3.530 0 40 FHAB Cc1oncc1C(=O)Nc1ccc(NC(=O)CCc2ccccc2F)cc1 54269715 PSRZMKVEOSCYIK-UHFFFAOYSA-N 367.380 3.946 0 40 FHAB Cc1cccc(NC(=O)Cc2nc3sc4c(c3c(=O)[nH]2)CCCCC4)c1 55502410 KUHJAXQRQKTZEW-UHFFFAOYSA-N 367.474 3.743 0 40 FHAB CCc1noc(C)c1C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 55754081 GLJMFNXEWHTZFC-ZDUSSCGKSA-N 355.438 3.812 0 40 FHAB COc1c(F)cc(NC(=O)CCc2c(C)nc3cc(C)nn3c2C)cc1F 55947949 ZWRMMJXQFSSNMJ-UHFFFAOYSA-N 374.391 3.513 0 40 FHAB O=C(Nc1cccc(C2SCCS2)c1)C(=O)NC1CCCCC1 57904620 FNSJMMGHYZOPGJ-UHFFFAOYSA-N 350.509 3.553 0 40 FHAB O=C(Nc1ccc(NC(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1)c1ccco1 58162484 DAUFPOOIZDBSLQ-IAGOWNOFSA-N 369.421 3.707 0 40 FHAB O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1cc(Cl)cc(Cl)c1 58213408 BIWREQDHIVMKRY-UHFFFAOYSA-N 360.200 3.996 0 40 FHAB CCOC(=O)/C(=C/c1ccc(OCc2cscn2)cc1)c1nccn1C 58266662 INPOHAFNLVPBAV-LICLKQGHSA-N 369.446 3.559 0 40 FHAB CCOc1ccc(CNCc2cccc(OCCCOC)c2)cc1OC 63913918 HWZYQNRTWFCWNR-UHFFFAOYSA-N 359.466 3.799 0 40 FHAB CCO[C@H]1CCCN(C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)C1 67582711 CMUWRQKJNFZQLK-AWEZNQCLSA-N 353.413 3.598 0 40 FHAB Cn1cc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c2ccccc21 68605847 FLUWJJHKMWWXIU-UHFFFAOYSA-N 360.461 3.658 0 40 FHAB Cc1c(Cl)cccc1NC(=S)Nc1ccc(S(C)(=O)=O)cc1 71761786 AMYDKKNNCROLIZ-UHFFFAOYSA-N 354.884 3.861 0 40 FHAB Cc1nn(C)c(=O)c(-c2nc(CN(CCC(C)C)C3CC3)cs2)c1C 72309082 YJFXNWLUPUTZSA-UHFFFAOYSA-N 360.527 3.531 0 40 FHAB Cc1ccccc1OCC(=O)NCC(O)(c1cccs1)c1cccs1 90617045 AHICYNFLULYZNY-UHFFFAOYSA-N 373.499 3.549 0 40 FHAB O=S(=O)(N[C@H](C1CCCC1)C(F)(F)F)c1cc(F)c(F)cc1F 95454466 MRMBVTFIRVMQEM-GFCCVEGCSA-N 361.307 3.503 0 40 FHAB C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)CCc1ccncc1 95982823 JVRDHKZTBLBBCE-LBPRGKRZSA-N 352.265 3.890 0 40 FHAB O=C(Cc1cccnc1)N1CCC2(CCN(Cc3ccsc3)CC2)CC1 96047328 OJRCDZMDDKVAGT-UHFFFAOYSA-N 369.534 3.590 0 40 FHAB O=C(c1ccc2[nH]ccc2c1)N1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 98211706 HBYYETRWOAMEEN-UHFFFAOYSA-N 371.444 3.520 0 40 FHAB Cc1cc(Br)cc(C)c1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100397615 SUWDGXUJCJKDOO-UKRFAEJPSA-N 372.262 3.623 0 40 FHAB C[C@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 104095795 RJRLFRZPHMGDFA-OFVDUGFESA-N 372.484 3.619 0 40 FHAB Cc1ccc(SCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 115251560 CKSWUQNCXJKIRO-UHFFFAOYSA-N 354.475 3.962 0 40 FHAB Cc1sc2ncc(C(=O)Nc3cc(Cl)cc(Cl)c3)c(=O)n2c1C 183410861 OCRJRTCTECWQGW-UHFFFAOYSA-N 368.245 3.932 0 40 FHAB OCc1ccc2oc(-c3ccc(I)cc3)nc2c1 216796584 KTJRNNRXMCBREF-UHFFFAOYSA-N 351.143 3.592 0 40 FHAB CC(C)(C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCCCC1 217450485 VBIAZWYFCKVTLU-UHFFFAOYSA-N 368.499 3.596 0 40 FHAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 219547279 VGNDWDBCOMENFE-MRXNPFEDSA-N 352.434 3.836 0 40 FHAB CCC(CC)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1 223946145 BQMKSSXXSMBRDB-UHFFFAOYSA-N 360.479 3.714 0 40 FHAB CC[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(c1ccccc1)S(C)(=O)=O 224297025 HSZWMQMCEVZPNE-MRXNPFEDSA-N 368.543 3.562 0 40 FHAB Cn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1F 224439285 ZLVZBGCXYSOEEL-MSOLQXFVSA-N 352.438 3.736 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1CN1CCCC1 224787772 OYCOFXJQYHGPAL-OAQYLSRUSA-N 370.468 3.895 0 40 FHAB COc1ccc(O[C@@H](Cc2cccc(Br)c2)C(=O)O)cc1 225063864 HBYDTSQFPBKAED-HNNXBMFYSA-N 351.196 3.532 0 40 FHAB Cc1cccc(OCCNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1 225122754 WFAMFTYLQVRYFI-KRWDZBQOSA-N 353.462 3.836 0 40 FHAB COC(=O)c1cccc(NC(=S)N[C@@H]2CCCc3cc(OC)ccc32)c1 225704333 RPZIJQFNFCLVQK-GOSISDBHSA-N 370.474 3.846 0 40 FHAB COc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3cccc(C)c3)s2)cc1 225784313 VSRZKAUQKWQZOD-ZDUSSCGKSA-N 369.446 3.928 0 40 FHAB CCCOc1ccc(NC(=O)[C@@](C)(OCCC)C2CC2)cc1C(=O)OC 225857563 IRMQUNOVEKRVCQ-FQEVSTJZSA-N 363.454 3.796 0 40 FHAB O=C(NC[C@@H](c1ccsc1)N1CCC1)c1cc(Br)cs1 240122655 WFFOYVCHJJUNOC-LBPRGKRZSA-N 371.325 3.749 0 40 FHAB Cc1c[nH]c(-c2cc([C@@H]3CCCCN3C(=O)c3ccccc3)nc(C)n2)n1 257216063 CSYHSNYABCLHDP-IBGZPJMESA-N 361.449 3.851 0 40 FHAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CO[C@H]21)CN(C(=O)C1CCC1)C3 257298393 RLLGHTGHUHMNFI-FUHWJXTLSA-N 371.477 3.573 0 40 FHAB Cc1csc(Nc2cc([C@@H]3CCCCN3Cc3c[nH]cn3)nc(C)n2)n1 257323887 WMGMRRWCUBCOEC-INIZCTEOSA-N 369.498 3.744 0 40 FHAB Cc1ncoc1C(=O)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257336709 YPRQFTZBBQDLLG-INIZCTEOSA-N 355.369 3.678 0 40 FHAB O=C(NC(=S)Nc1ccc(Br)cc1F)c1ccccc1F 408595367 IITUMSSZEYHQBJ-UHFFFAOYSA-N 371.206 3.854 0 40 FHAB COc1ccc(Cc2nnc(SC(=O)c3ccc(OC)cc3)o2)cc1 409392238 OINDKFFCNFCWJP-UHFFFAOYSA-N 356.403 3.610 0 40 FHAB O=C(Nc1scnc1C1CC1)N1CCC[C@@](CO)(Cc2ccccc2)C1 578691936 MNBKIABZXBVRJG-HXUWFJFHSA-N 371.506 3.870 0 40 FHAB Cc1ccc([C@H](C)CNC(=O)N[C@H]2CCO[C@H](c3ccncc3)C2)cc1 653147669 CPXBFQSZGYMMLN-UXPWSPDFSA-N 353.466 3.713 0 40 FHAB C[C@@H](NC(=O)N(C)Cc1cn(C)nn1)c1ccc(-c2ccc(F)cc2)cc1 664567640 BBLNEFDPPVGXKP-CQSZACIVSA-N 367.428 3.524 0 40 FHAB O=C(c1ccc(-c2cccc(Cc3ccccc3)c2)cc1)N1CCNCC1 1240131912 KOXPTCKXMSVTER-UHFFFAOYSA-N 356.469 3.990 0 40 FHAB Cc1csc(CNC(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)n1 47861424 APHVZGGALRZLTB-UHFFFAOYSA-N 352.410 3.652 0 40 FHAB S=C(NCCc1c[nH]c2ccccc12)SCc1cn2cccnc2n1 1448704 ZFWSPOOACJCWFC-UHFFFAOYSA-N 367.503 3.561 0 40 FHAB CCOc1ccc(NC(=O)c2nnn(-c3ccc(OCC)cc3)c2C)cc1 2713306 LZEWWYTVSPJHFC-UHFFFAOYSA-N 366.421 3.625 0 40 FHAB CC(C)CN1CCO[C@H](CSc2ncnc3c2oc2ccccc23)C1 23844361 LAZYFSZXNNIGQK-AWEZNQCLSA-N 357.479 3.825 0 40 FHAB COc1ccccc1OCCSc1nc2ccc(Cl)cc2c(=O)[nH]1 3021170 HQRMTWXRGSPFIT-UHFFFAOYSA-N 362.838 3.756 0 40 FHAB COc1ccc(C(=O)C2CCN(C(=O)C[C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 105637551 RLIJNGMWUDUUGB-ZYSHUDEJSA-N 355.478 3.943 0 40 FHAB O=C(Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1)C1CCC1 4855883 XEFOZIDQJJVLIX-UHFFFAOYSA-N 353.441 3.891 0 40 FHAB CCOc1ccccc1NS(=O)(=O)c1ccccc1Br 7057444 MRSGAQGETZYJKJ-UHFFFAOYSA-N 356.241 3.649 0 40 FHAB C[C@@H](NC(=O)Cn1ccc(C(F)(F)F)n1)C12CC3CC(CC(C3)C1)C2 7265211 RYYVHMNVYXXHDC-SFCYXTAJSA-N 355.404 3.623 0 40 FHAB Cc1ccccc1OCC(=O)NCc1ccccc1CN1CCCCC1 7850055 SLGCCVPJKIBFMS-UHFFFAOYSA-N 352.478 3.676 0 40 FHAB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)C1=NO[C@H](c2ccccc2)C1 55288529 TWSCHMXAQAEKIC-LPHOPBHVSA-N 366.465 3.649 0 40 FHAB Cc1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20488642 ZOHRLMCQQYKQQI-UHFFFAOYSA-N 372.490 3.563 0 40 FHAB CCc1ccc2oc(-c3cc(NC(=S)NC(C)=O)ccc3O)nc2c1 9064232 QBGAOKMCAHOHOA-UHFFFAOYSA-N 355.419 3.596 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CC=C(c3ccccc3)CC2)c1C 57672117 ZBXJTLDPUYVWKN-MRXNPFEDSA-N 366.461 3.779 0 40 FHAB CC(=O)Nc1ccc2c(COC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)cc(=O)oc2c1 108858484 XLYVLUBSJMDEFQ-SOUVJXGZSA-N 369.417 3.621 0 40 FHAB O=C1CC[C@@H](C(=O)Nc2ccccc2NC23CC4CC(CC(C4)C2)C3)CN1 58202027 CMVDOGSIXXEFQT-GOWZHPGHSA-N 367.493 3.532 0 40 FHAB O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCCN(c2nccs2)CC1 58245127 IQMZJXSCPUTVTN-JKSUJKDBSA-N 361.898 3.639 0 40 FHAB CC[C@H](CNC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccccc1 12613847 ONULFPKSGOIEBW-KDOFPFPSSA-N 354.475 3.800 0 40 FHAB CCOc1ccccc1-c1nn2c(-c3cccc(OC)c3)nnc2s1 10311665 UZCZRXIUMOUGLQ-UHFFFAOYSA-N 352.419 3.927 0 40 FHAB CC1(C)CC[C@H](NC(=O)[C@H]2CCCN(c3cnccn3)C2)c2ccccc21 58421800 IRUSHNQGEUFGBS-LPHOPBHVSA-N 364.493 3.622 0 40 FHAB C[C@H](C(=O)NCc1cccs1)N(C)Cc1ccc(C(F)(F)F)cc1 12751316 QXNPTQZACLLSSC-GFCCVEGCSA-N 356.413 3.904 0 40 FHAB COc1ccc(-c2noc(N)c2-c2cc(OC)c(OC)c(OC)c2)cc1 45384213 LAJLHJJYAMSQAL-UHFFFAOYSA-N 356.378 3.625 0 40 FHAB Cc1cc(C)cc(OCCN(C)Cc2cc(=O)oc3cc(O)ccc23)c1 12758576 NPVDTSJUWYSEBO-UHFFFAOYSA-N 353.418 3.626 0 40 FHAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccccn2)n1C 2367526 OLTNBJDWCOMQDZ-UHFFFAOYSA-N 373.869 3.570 0 40 FHAB Cc1cccc(OCC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)c1C 11082679 XKYLECSKXBAVRB-UHFFFAOYSA-N 363.461 3.586 0 40 FHAB COc1ccccc1CC(=O)Nc1nnc(CCc2ccccc2)s1 59132932 APHINXQCPVMVEU-UHFFFAOYSA-N 353.447 3.513 0 40 FHAB CC1CCC(C(=O)N[C@H](C(=O)N2CCc3ccccc3C2)C(C)C)CC1 2460111 QSFQVPISEAZTBK-NLPFYKDJSA-N 356.510 3.538 0 40 FHAB Cc1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)sc1C(=O)O 45774818 VZKDENVPVTXWJE-UHFFFAOYSA-N 365.354 3.574 0 40 FHAB Cn1ccnc1[C@H](NC(=O)NCCc1cccs1)c1ccc(Cl)cc1 29324634 YIVMXSJASMZNBD-MRXNPFEDSA-N 374.897 3.766 0 40 FHAB Cc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)cc1 12856667 LTUYHERJKFJIKH-UHFFFAOYSA-N 357.841 3.638 0 40 FHAB Cc1cc(S(=O)(=O)N(C)Cc2ccsc2)ccc1Br 12858708 ANCGAQXYONKLIJ-UHFFFAOYSA-N 360.298 3.640 0 40 FHAB CCCn1c(=O)n(CCC(=O)Nc2cccc(C)c2C)c2ccccc21 12894129 GREAYUXNUJAISK-UHFFFAOYSA-N 351.450 3.859 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 2644500 ZKEPORVIFDOTNR-BEFAXECRSA-N 361.445 3.694 0 40 FHAB COc1ccccc1-c1ccnc2[nH]n(-c3nc4ccccc4s3)c(=O)c12 10338973 OXLYVJNQYCTGEH-UHFFFAOYSA-N 374.425 3.999 0 40 FHAB CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1 2630870 ZDGANLOLFZAIEE-CYBMUJFWSA-N 357.479 3.830 0 40 FHAB O=C1C[C@@H](C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)c2ccccc2N1 37133207 JDHJXZIJEBJERL-MRXNPFEDSA-N 374.444 3.827 0 40 FHAB Cc1noc(C)c1COc1ccc(CC(=O)NCc2ccccc2)cc1 3437545 ARAYBCDOKOBHKY-UHFFFAOYSA-N 350.418 3.729 0 40 FHAB C[C@@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1cc2ccccc2o1 12934512 VAIFFLDFBBXDIN-IAQYHMDHSA-N 352.365 3.875 0 40 FHAB Cc1cc(NC(=O)c2cc3cc(F)ccc3[nH]2)ccc1N1CCCC1=O 12971840 PGBKWQWSVVLZMC-UHFFFAOYSA-N 351.381 3.995 0 40 FHAB O=C(O)C1CCN(C(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)CC1 13167420 UNWYONCGUFHPJD-DUXPYHPUSA-N 361.747 3.695 0 40 FHAB Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccsc3)N(C)C)no2)cc1 71195101 VBTMJTHPXFBQTJ-QGZVFWFLSA-N 355.463 3.744 0 40 FHAB Cc1ccc(N2CCN(CC(=O)Nc3cc(C)ccc3C)C[C@H]2C)cc1 13737013 PDFKFKTTWXERBC-LJQANCHMSA-N 351.494 3.761 0 40 FHAB CCCc1nc(C(C)(C)NC(=O)c2cnc(-c3ccccc3F)s2)no1 65405090 BWQWQULKTBRJNW-UHFFFAOYSA-N 374.441 3.950 0 40 FHAB COc1ccc(OS(=O)(=O)c2cc(Br)ccc2C)cc1 25873902 FQFOCFYKWIIGFA-UHFFFAOYSA-N 357.225 3.534 0 40 FHAB CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nnc1-c1ccoc1C 5364788 BXNLPXPDLDYVLL-CYBMUJFWSA-N 356.451 3.986 0 40 FHAB COc1cc(/C=C/C(=O)OCC(=O)c2cc(C)c(C)cc2C)ccc1O 6418668 OHDISDADSMUWSZ-SOFGYWHQSA-N 354.402 3.765 0 40 FHAB CC(C)c1nnc(SCC(=O)Nc2ccc(Cl)cn2)n1C1CC1 9314200 OQEMWXMSTJAGQY-UHFFFAOYSA-N 351.863 3.516 0 40 FHAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(OC(F)(F)F)cc1 6652558 WUYSPNQVJWONKD-OAHLLOKOSA-N 368.355 3.745 0 40 FHAB O=C1C[C@@H](C(=O)N2CCCc3ccccc32)CN1c1ccc(Cl)cc1 4731827 NCVDFEDJWWVFGH-OAHLLOKOSA-N 354.837 3.672 0 40 FHAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccc2c(c1)OCO2 6879532 GOHLSGUQBOGVIS-UHFFFAOYSA-N 356.378 3.859 0 40 FHAB Cc1ccc(-c2noc(CCC(=O)NCc3cccc(Cl)c3)n2)cc1 9446338 AWSQNIYTRAROOI-UHFFFAOYSA-N 355.825 3.947 0 40 FHAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccccc1-c1ccccc1)CS2 9499920 XFBSCXCUHAQAMM-PXNSSMCTSA-N 352.459 3.746 0 40 FHAB CCn1c(=N)n(CC(=O)c2ccc(Br)cc2)c2ccccc21 19847959 SGTLSWBZAZJZBR-UHFFFAOYSA-N 358.239 3.588 0 40 FHAB CCCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 7690072 DWKRHGOPODKSND-UHFFFAOYSA-N 372.490 3.676 0 40 FHAB CN(C)[C@@H](CNC(=O)COc1cccc2ccccc12)Cc1ccccc1 8038732 MGNFSQUDOSSPKA-HXUWFJFHSA-N 362.473 3.508 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)COc1ccc(F)cc1 8009728 BXCNKVWYAQPTKH-UHFFFAOYSA-N 367.424 3.666 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Cc1ccccc1F 8133419 JZCVXNVOXDGLEI-UHFFFAOYSA-N 351.425 3.829 0 40 FHAB CN(Cc1nc2ccccc2c(=O)[nH]1)Cc1ccccc1N1CCCCC1 8308080 CRKDWQOVHIWBGK-UHFFFAOYSA-N 362.477 3.545 0 40 FHAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1cc(Cl)ccn1 8341645 HUCOBLAKFRLGSQ-UHFFFAOYSA-N 353.809 3.599 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)N2c3cccc4cccc(c34)S2(=O)=O)cc1 28731376 ACLFYRJXTLEQKQ-CQSZACIVSA-N 366.442 3.684 0 40 FHAB O=C(Nc1nnc(CCCc2ccccc2)s1)c1ccc2c(c1)OCO2 9667424 QMOAIRZXTAXJNT-UHFFFAOYSA-N 367.430 3.694 0 40 FHAB CC(=O)[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccccc1 8724073 FXLRJJPBCQLWNA-INIZCTEOSA-N 354.387 3.888 0 40 FHAB O=C(COc1ccc(Cl)cc1)N1CCc2n[nH]c(-c3ccccc3)c2C1 8738825 MNVHOWWUJJEELA-UHFFFAOYSA-N 367.836 3.694 0 40 FHAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cccc2cccnc12 8704166 AFDFWWIUBGQTNC-UHFFFAOYSA-N 353.809 3.647 0 40 FHAB O=C(Cc1csc(-c2ncccn2)n1)Nc1ccc(-c2ccccc2)cn1 84562672 KUIHUFLYQAQMPK-UHFFFAOYSA-N 373.441 3.843 0 40 FHAB Cc1ccc(CC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1O 89452462 ZDAGEXCVXJKFDB-UHFFFAOYSA-N 355.278 3.586 0 40 FHAB CCCCCNC(=O)c1cc2c(N3CCCC3)nc(SC)nc2s1 408620132 KMSZTXNSVHFUDP-UHFFFAOYSA-N 364.540 3.933 0 40 FHAB C[C@@H](CNC(=O)C(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 408708869 MNBXLURPGHULKP-LBPRGKRZSA-N 350.340 3.564 0 40 FHAB Cc1ccc(C)c(OCC(=O)NCCCN2CCCc3ccccc32)c1 218953215 FIJXYBWYGJDIJB-UHFFFAOYSA-N 352.478 3.641 0 40 FHAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCOc2ncc(C)cc21 126384649 UZVIHACURVMQKM-MRXNPFEDSA-N 352.434 3.634 0 40 FHAB CCCCC[C@@](C)(O)/C=C\[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 38152830 CTXLUMAOXBULOZ-MCGUNVPXSA-N 366.498 3.641 0 40 FHAB CC(C)NC(=O)CSc1nc2ccccc2n1Cc1ccc(F)cc1 35314669 DXKKEEFSVXAONM-UHFFFAOYSA-N 357.454 3.840 0 40 FHAB CC(=O)N1CCC(N2CCC[C@@H]2c2cccc(Cc3ccccc3)n2)CC1 72358184 LAONGVPNLUKESG-HSZRJFAPSA-N 363.505 3.820 0 40 FHAB Cc1csc(Nc2nccnc2[C@@H]2CCCN(C(=O)CC(C)C)C2)n1 72363561 VWRZOIXVUQXPTJ-CQSZACIVSA-N 359.499 3.737 0 40 FHAB O=C(C[C@H]1CCCC[C@H]1C(=O)O)c1cccc(I)c1 43879339 KRBZJRBTKJYOEH-ZWNOBZJWSA-N 372.202 3.755 0 40 FHAB Cc1ccc([C@H](C)NC(=O)c2cccc(CN3CCOCC3)c2)c(C)c1 44847341 QRUBSSSVQFDNRK-SFHVURJKSA-N 352.478 3.627 0 40 FHAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 40140862 NSQADSWRDFKNFN-NEPJUHHUSA-N 360.351 3.591 0 40 FHAB CSCC[C@H](C(=O)N[C@H](C)c1nc2ccccc2n1C)n1cccc1 575443062 FLWGZTLFEGEPBQ-RHSMWYFYSA-N 356.495 3.546 0 40 FHAB CCOc1ccccc1NC(=S)N[C@@H](C)COc1ccccc1OC 225785666 QKOMCUQQBCIZSM-AWEZNQCLSA-N 360.479 3.848 0 40 FHAB CCCC[C@@H](CC)C(=O)N1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21 40386267 FYFWJYOQJDVQPI-CRAIPNDOSA-N 356.466 3.771 0 40 FHAB CCOC(=O)c1cccc(NC(=O)COc2cccc3c2CCCC3)c1 225427831 QRXIBFQYVJTCKO-UHFFFAOYSA-N 353.418 3.760 0 40 FHAB COc1ccc(NC(=O)c2cc3cccc(Cl)c3oc2=O)c(OC)c1 226039874 PGCKCZGUYXDTOH-UHFFFAOYSA-N 359.765 3.716 0 40 FHAB Cc1ccc(NC(=O)c2c3c(NCC4CC4)ncnc3n3ccccc23)cn1 96264402 CDLXQYGBKANNJV-UHFFFAOYSA-N 372.432 3.660 0 40 FHAB O=C1CC[C@@]2(CCCN(Cc3ccco3)CC2)N1Cc1cccc(F)c1 96047544 WGWQBNVVMOTPSX-OAQYLSRUSA-N 356.441 3.966 0 40 FHAB C[C@H]1CCC[C@H](N(C)c2nnc(-c3ccccn3)n2Cc2ccco2)C1 585085302 IZHCDXQOGYGZKV-HOTGVXAUSA-N 351.454 3.996 0 40 FHAB Cc1cnc(NC(=O)CCCOc2ccc(-c3cnn(C)c3)cc2)s1 252479847 BNUQGKMDQGBVSM-UHFFFAOYSA-N 356.451 3.650 0 40 FHAB O=C(c1cccnn1)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257252321 JUJIMMBWDSBWQG-QGZVFWFLSA-N 368.824 3.686 0 40 FHAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 96119063 JQWTZYJLEMUXGR-CQSZACIVSA-N 371.437 3.886 0 40 FHAB Cc1cc(Cl)cc2cc(-c3noc([C@]45C[C@H]6C[C@@H](C(=O)N4)[C@H]5C6)n3)oc12 650594365 GIAVJDMBNZRFJX-USOZJOHNSA-N 369.808 3.816 0 40 FHAB CCc1nc(=NCc2csc(Cc3ccc(Cl)cc3)n2)s[nH]1 585139198 QHANHIBGXDQTPP-UHFFFAOYSA-N 350.900 3.835 0 40 FHAB Cn1ncc(NCc2ccc(OCc3cccc(F)c3)cc2)c(Cl)c1=O 47511011 JOTFAZSOTGGWGX-UHFFFAOYSA-N 373.815 3.764 0 40 FHAB COc1ccc(CNC(=O)c2cccc(OCc3cscn3)c2)cc1 12757929 KVGOIJVRPNYAMG-UHFFFAOYSA-N 354.431 3.661 0 40 FHAB CC[C@@H](C(=O)Nc1cccc(C)c1C)N(c1ccc(C)cc1)S(C)(=O)=O 13713180 ODUUWDLIAZEYDV-IBGZPJMESA-N 374.506 3.795 0 40 FHAB Cc1nc([C@H](Cc2ccsc2)NC(=O)CCc2ccno2)sc1C 19559758 FEZBEVVLJJYTAK-HNNXBMFYSA-N 361.492 3.842 0 40 FHAB COc1ccc(CN2CCC(c3nnc(-c4scnc4C)o3)CC2)cc1 19563191 KWLPOIHJAIIVLZ-UHFFFAOYSA-N 370.478 3.890 0 40 FHAB Cn1nc(C(=O)N[C@H]2CCOc3ccccc32)cc1-c1ccc(Cl)cc1 19660456 OWFKZFDELOHRKG-INIZCTEOSA-N 367.836 3.994 0 40 FHAB COc1ccc(OC)c(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)c1 7342848 CDVOVZMYGYZOBE-YBEGLDIGSA-N 356.403 3.798 0 40 FHAB Cc1ccc(-c2cc(C(=O)OCC(=O)NC3CC3)c3ccccc3n2)cc1 2630567 SJIVRDZZGMKIDL-UHFFFAOYSA-N 360.413 3.646 0 40 FHAB CC[C@H]1CCc2sc(C(=O)OCc3cc(=O)n4ccsc4n3)cc2C1 3433888 KXGQPUZVJMRQSK-NSHDSACASA-N 374.487 3.689 0 40 FHAB CC(C)(C)OC(=O)N1CC[C@H](COc2ccc(-c3ccccc3)nn2)C1 1888926478 YLVFHVASTUVPGA-HNNXBMFYSA-N 355.438 3.779 0 40 FHAB CC[C@H](C(=O)N1CCC(N(C)c2ncc(Cl)cn2)CC1)c1ccccc1 1889152015 NLVCVERDSLDMKX-SFHVURJKSA-N 372.900 3.751 0 40 FHAB Cc1cc2c(N3CC(n4c(C(C)(C)C)nc5ccccc54)C3)nccn2n1 1889224534 GHGFRWUVXXDSQQ-UHFFFAOYSA-N 360.465 3.746 0 40 FHAB COc1ccc(S(=O)(=O)N[C@@H](C)Cc2cc3ccccc3o2)c(C)c1 244933274 CKAILJRWJNPOIQ-AWEZNQCLSA-N 359.447 3.659 0 40 FHAB O=C(Cc1ccc(Cl)cc1)Nc1nc2cc3c(cc2s1)OCCO3 12347730 DGNKKGSKZZYGSJ-UHFFFAOYSA-N 360.822 3.902 0 40 FHAB O=C1NN=C2CCCCCCC[C@H]3C(=O)NN=C3CCCCCCC[C@H]12 103553500 KRDAPKLDJJSAJY-IYBDPMFKSA-N 360.502 3.665 0 40 FHAB Cc1ccc(NC(=O)CSc2cc(-n3nc(C)cc3C)ncn2)c(C)c1 49404082 MQHUAUKZDJPVLS-UHFFFAOYSA-N 367.478 3.627 0 40 FHAB O=C(Cc1c(F)cccc1Cl)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 585148854 JSLLFOVJFWRHMM-OAHLLOKOSA-N 359.828 3.973 0 40 FHAB COc1ccc(Br)c(C(=O)N(Cc2cccn2C)C2CC2)c1 62150599 CECIHFWIVNAJHX-UHFFFAOYSA-N 363.255 3.601 0 40 FHAB CS(=O)(=O)Nc1cccc(NC(=O)c2ccccc2-c2ccccc2)c1 30231386 WARXQSRGFGJVTB-UHFFFAOYSA-N 366.442 3.977 0 40 FHAB Cc1cc(SCC(=O)NC[C@@H](C)c2nc3ccccc3s2)nc(C)n1 50248143 WYQZZSLMXODBFM-LLVKDONJSA-N 372.519 3.715 0 40 FHAB O=C(Oc1ccccc1N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccccc1F 100839133 SNPYIURFVSWEGR-OKILXGFUSA-N 367.376 3.725 0 40 FHAB COc1cccc(S[C@@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)c1 31817646 MUJKJHXXFILOEK-ZDUSSCGKSA-N 355.459 3.968 0 40 FHAB CC(=O)Nc1ccc2c(CN[C@@H](C)c3ccc(F)cc3F)cc(=O)oc2c1 33040111 ACZGTKZPLODJJI-NSHDSACASA-N 372.371 3.880 0 40 FHAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(N4CCCC4)nc3)c12 22391761 AVHCIUAKMKTEQE-UHFFFAOYSA-N 363.421 3.656 0 40 FHAB CCc1noc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 22931158 GKDLYHYGUCKZSZ-UHFFFAOYSA-N 362.477 3.539 0 40 FHAB COc1ccc(C(=O)NC(=S)Nc2cccc3ccccc23)cc1OC 881642 GJEOFOCEFCLWDK-UHFFFAOYSA-N 366.442 3.984 0 40 FHAB O=C1C[C@H](c2ccc3c(c2)OCCO3)Oc2ccc(Br)cc21 938990 HSYIPPYVHYDFJD-MRXNPFEDSA-N 361.191 3.927 0 40 FHAB biogenic O=C(NC(Nc1ccccc1)(C(F)(F)F)C(F)(F)F)c1cccnc1 1042117 UIRMYBCMMNHANW-UHFFFAOYSA-N 363.261 3.744 0 40 FHAB Cc1nc2sc(NCc3ccccc3)nc(=O)c2c2c1COC(C)(C)C2 1277365 YHIHLGKRYBLOLM-UHFFFAOYSA-N 367.474 3.823 0 40 FHAB CC(C)c1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 2120442 IIJCXRQMGKKPRD-WBVHZDCISA-N 351.450 3.623 0 40 FHAB biogenic CCOc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1OCC 2308286 CYLOVZJEWIANJS-YBEGLDIGSA-N 355.365 3.968 0 40 FHAB Cc1ccc(Oc2ccc(OCC(=O)N[C@@H](CC(C)C)C(=O)O)cc2)cc1 3207908 JBHPJQWYPKWYFT-IBGZPJMESA-N 371.433 3.782 0 40 FHAB Cn1nc(C(=O)Nc2ccccc2Cc2ccccc2)c2ccccc2c1=O 3284401 ZHEGYQDXHLKOAU-UHFFFAOYSA-N 369.424 3.777 0 40 FHAB COc1ccccc1NC(=O)COC(=O)c1ccccc1C(F)(F)F 3385375 IPNINDFNXVSWAA-UHFFFAOYSA-N 353.296 3.510 0 40 FHAB CCCc1nc2ccccc2c(C(=O)OCC(=O)NCC(C)C)c1CC 3580041 FILCGNHVOQJOQB-UHFFFAOYSA-N 356.466 3.679 0 40 FHAB Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccc(Cl)cc1 3886656 QKFYVRLUWICUGC-UHFFFAOYSA-N 366.870 3.889 0 40 FHAB COc1ccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)c(OC)c1 4078145 RJWFCPIDFACWEV-UHFFFAOYSA-N 367.405 3.634 0 40 FHAB CCC[C@H](C)c1nnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)s1 4998705 RYFWLPPKYWUVHB-KBPBESRZSA-N 372.494 3.742 0 40 FHAB Cc1cccc(NC(=O)[C@@H](C)N2c3cccc4cccc(c34)S2(=O)=O)c1 5293305 LHOALXPKPHOJKZ-CQSZACIVSA-N 366.442 3.684 0 40 FHAB COc1cccc(NC(=O)CSc2nnc(-c3cccc(C)c3)o2)c1 5434618 KJUMRNIQXPMSEK-UHFFFAOYSA-N 355.419 3.784 0 40 FHAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cncc(Br)c1 5769769 ZACIGOYLYRPLSO-UHFFFAOYSA-N 361.117 3.995 0 40 FHAB CC(=O)c1ccc(-n2c(S)nnc2-c2cc(-c3cccs3)n[nH]2)cc1 5789540 OFANAONBRYPLSG-UHFFFAOYSA-N 367.459 3.877 0 40 FHAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)C(C)(C)C)c1 5856789 ZBUUCDBCEIGVKJ-UHFFFAOYSA-N 355.891 3.938 0 40 FHAB COc1cc2ccccc2cc1C(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 6266053 ZSBQEEZIFRCJQM-SPYBWZPUSA-N 369.461 3.946 0 40 FHAB C[C@@H](Sc1nnnn1-c1cccc(F)c1)c1nnc(-c2cccs2)o1 6851474 ROHMZNSFPNRALK-SECBINFHSA-N 374.426 3.766 0 40 FHAB O=C(CSc1nnc(-c2ccncc2)o1)Nc1ccc(F)c(Cl)c1 6861856 PNSPRCCLDHSBES-UHFFFAOYSA-N 364.789 3.655 0 40 FHAB O=C(OCc1ccc(I)cc1)c1ccc(F)cc1 6863283 LYPFBMKSUVIMDE-UHFFFAOYSA-N 356.134 3.787 0 40 FHAB CSc1ccc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1 7056529 NKBVLKWNVBTDFE-UHFFFAOYSA-N 353.447 3.606 0 40 FHAB Cc1ccc(C)c(OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 7924756 JZGJYNMSXRKLCB-UHFFFAOYSA-N 366.461 3.560 0 40 FHAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1oc2ccccc2c1C 7967848 DINHONQPDZAJHH-UHFFFAOYSA-N 366.417 3.851 0 40 FHAB COc1cccc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)c1 8166600 JRQSAONIRYJVQB-GZTJUZNOSA-N 353.399 3.614 0 40 FHAB C[C@H]1CCCCN1C(=O)CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O 8267953 LXRLDENFUWIRKM-NCLHQFCTSA-N 370.474 3.680 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)cc2C)cc1 8291496 SFMCUOVKRUYIRV-UHFFFAOYSA-N 360.479 3.586 0 40 FHAB CCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3cccc(C)c3)ccc21 8840607 BFPHNLOPBHGQBR-UHFFFAOYSA-N 372.490 3.626 0 40 FHAB COc1ccc(-c2cc(COC(=O)c3cccc(OC)c3OC)on2)cc1 11151083 VVVQJGBTPWFVDL-UHFFFAOYSA-N 369.373 3.724 0 40 FHAB CC(C)C(=O)N1CC[C@@H](c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)C1 12220414 CBMSRKHLSBJYDE-GFCCVEGCSA-N 368.403 3.843 0 40 FHAB C[C@@H]1CN(c2ncc(-c3ccsc3)c(-c3nccs3)n2)C[C@@H](C)O1 12240492 DQZYNHYTKMDSDZ-VXGBXAGGSA-N 358.492 3.942 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(c2ccccc2F)CC1 12607021 CZNQBRGQHSRSDN-UHFFFAOYSA-N 367.399 3.784 0 40 FHAB O=C(Cn1c(-c2ccc(F)cc2)cc2cccnc21)NCc1ccncc1 12669633 HIDMDXQKRDZMBG-UHFFFAOYSA-N 360.392 3.554 0 40 FHAB COc1ccc(-c2cc(CC(=O)NCc3ccc(C)cc3)no2)cc1OC 12867709 MTGVLMGIJPVEKO-UHFFFAOYSA-N 366.417 3.526 0 40 FHAB CCc1cccc(N2C[C@H](C(=O)N[C@@H](C)c3cccc(F)c3)CC2=O)c1 12921554 CFCCTFBHJNCKHO-WMLDXEAASA-N 354.425 3.618 0 40 FHAB CCOc1ccc([C@H]2C[C@@H](c3ccc(OC)cc3)n3ncnc3N2)cc1 13132337 MNMBYPWITWMIAR-MOPGFXCFSA-N 350.422 3.832 0 40 FHAB COc1ccccc1NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 13324928 QTMMTSUXRSEXJQ-UHFFFAOYSA-N 365.886 3.760 0 40 FHAB CC[C@@H]1CCCCN1CCCNC(=O)c1ccccc1Br 13669584 WTLLDWUZGRRFHM-CQSZACIVSA-N 353.304 3.834 0 40 FHAB CCc1cccc(C)c1NC(=O)c1ccccc1SCC(=O)N(C)C 14118619 XYJGQSMWLGTCEF-UHFFFAOYSA-N 356.491 3.990 0 40 FHAB Cc1noc(C)c1CC(=O)NCCSc1ccc(Br)cc1 14119379 OSUNHWJKEMGYSM-UHFFFAOYSA-N 369.284 3.505 0 40 FHAB O=C(Cc1csc(N2CCCC2=O)n1)Nc1cc(Cl)cc(Cl)c1 14139666 MMSDSJJPBMKZDN-UHFFFAOYSA-N 370.261 3.758 0 40 FHAB C[C@H](c1nnc(-c2cccs2)o1)N(C)CC(=O)Nc1ccc(F)cc1 14139856 CJOAXVYZMZPEEQ-LLVKDONJSA-N 360.414 3.569 0 40 FHAB CC(C)c1n[nH]c(SCC(=O)N2CCC(Cc3ccccc3)CC2)n1 14140406 DWRLBWIGODGDDF-UHFFFAOYSA-N 358.511 3.502 0 40 FHAB Cc1ccc(C(C)C)cc1OCC(=O)NCc1cnn(-c2ccccc2)c1 14406994 NEEBQBULKNLNQF-UHFFFAOYSA-N 363.461 3.999 0 40 FHAB O=C(Nc1ccc(F)c(F)c1F)[C@H]1CC(=O)N(c2ccccc2Cl)C1 15002583 GSRJVBOKWJQMQX-VIFPVBQESA-N 368.742 3.749 0 40 FHAB Cc1cccc(C)c1NC(=O)c1ccc(=O)n(Cc2ccccc2F)c1 15883185 UGSFJBUXRWEHRN-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB C[C@@H](OC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)NC(C)(C)C 16320643 DCBCMRVMYQOANR-CYBMUJFWSA-N 361.413 3.865 0 40 FHAB CCc1noc(C)c1C(=O)N1CCC[C@@H]1c1n[nH]cc1-c1ccncc1C 19521220 OFZHXQKJMASBDJ-QGZVFWFLSA-N 365.437 3.616 0 40 FHAB COc1ccc(CNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1OC 20493724 DYJRPXIZESVBNJ-INIZCTEOSA-N 357.450 3.713 0 40 FHAB Nc1ccc(S[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 22866287 YTNHRAXNHNSPCJ-AWEZNQCLSA-N 367.257 4.000 0 40 FHAB Cc1ccn(C(=O)c2ccc(Cn3cccn3)cc2)/c(=N/C2CCCCC2)c1 23199650 HDCLDVSROSQOPF-YYDJUVGSSA-N 374.488 3.963 0 40 FHAB CCOC(=O)c1ccsc1NC(=O)CN1CCC[C@@H]1c1cccs1 24841666 ZSRIRBNKVNDKDE-CYBMUJFWSA-N 364.492 3.762 0 40 FHAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 24864508 CBJBNGZRQJBATG-LLVKDONJSA-N 350.777 3.563 0 40 FHAB COc1cc(C(=O)Nc2ccc(N3CCCC3)nc2)ccc1OC(F)F 24992040 JOWZZAKKNJNWAU-UHFFFAOYSA-N 363.364 3.544 0 40 FHAB O=C(Cc1ccccc1)Nc1ccc(-n2cc(Br)cn2)cc1 28247591 RTAWNHSYOCHEDH-UHFFFAOYSA-N 356.223 3.816 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)OCC(=O)NC1CCCCCC1 29557351 VTPXGXVRZFIWKC-UHFFFAOYSA-N 358.413 3.678 0 40 FHAB Cn1cnnc1-c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 32833647 DNTBSUBOADPPET-UHFFFAOYSA-N 370.478 3.580 0 40 FHAB COCc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 32897069 MWMRAFRBYIEZTJ-UHFFFAOYSA-N 350.418 3.994 0 40 FHAB O=C(NC1CCCCC1)c1cccnc1Nc1ccc2c(c1)OCCO2 35288572 INEVPBOEGYGHHW-UHFFFAOYSA-N 353.422 3.659 0 40 FHAB O=C(CNCCc1ccccc1)Nc1nc(-c2ccc(F)cc2)cs1 35291627 JTRNRFSWJNGKMH-UHFFFAOYSA-N 355.438 3.720 0 40 FHAB COc1cccc(-c2noc(CCC(=O)Nc3cccc(C(C)=O)c3)n2)c1 41185371 CPMQAULTBVEJRU-UHFFFAOYSA-N 365.389 3.519 0 40 FHAB Cc1nnnn1-c1cccc(NC(=O)N[C@H](C)c2ccccc2Cl)c1 45689588 QIPAZRRRONFIRC-LLVKDONJSA-N 356.817 3.507 0 40 FHAB C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1cc2c(cc1Br)OCCO2 48354811 WEZBOCCIDGBOEM-VXGBXAGGSA-N 366.255 3.754 0 40 FHAB COc1ccc(NC(=O)[C@@H]2CCCN2Cc2ncc(C(C)(C)C)o2)cc1 52715161 YZJGLBUXCINIEI-INIZCTEOSA-N 357.454 3.584 0 40 FHAB NC(=O)c1ccc(-c2nc(CSC(=S)N3CCCC3)cs2)cc1 52889287 GZSUPUHSIMMDAC-UHFFFAOYSA-N 363.533 3.523 0 40 FHAB COc1ccc(C2(CNc3ncnc4ccsc34)CCOCC2)cc1 57149980 KSVVWMOOAFNFSB-UHFFFAOYSA-N 355.463 3.860 0 40 FHAB COc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2Cl)c(C)c1 57472071 CEWICGPXUIALSC-UHFFFAOYSA-N 351.761 3.592 0 40 FHAB C[C@H](O)CN(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 58168395 UPSVUPNMPWXWRZ-ZDUSSCGKSA-N 352.356 3.531 0 40 FHAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)C1(c2ccc(F)cc2)CC1 58296900 WJVGMTNNJGEJSW-UHFFFAOYSA-N 370.405 3.877 0 40 FHAB O=C(c1csc(-c2cnccn2)n1)N(CCc1cccc(F)c1)C1CC1 70960807 XHWFIUAQNNDDTN-UHFFFAOYSA-N 368.437 3.587 0 40 FHAB CCOC(=O)C1CCN(C(=O)c2ccc(Oc3ccc(C)cc3)o2)CC1 72264853 LINFZQYZZOVUKY-UHFFFAOYSA-N 357.406 3.796 0 40 FHAB O=C(c1cccnc1)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1 72358700 PHPQTKBKBADPNM-INIZCTEOSA-N 362.408 3.698 0 40 FHAB C[C@@H]1Cc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2N1 78403955 RMVHROFJIKGIGG-SNVBAGLBSA-N 356.369 3.863 0 40 FHAB COCCn1ccc2c(C(=O)NCCc3c[nH]c4ccccc34)cccc21 79189910 GCEHXWOKOXFFSR-UHFFFAOYSA-N 361.445 3.742 0 40 FHAB biogenic O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1cc(-c2ccc(Cl)cc2)n[nH]1 85879147 UOVDWAMJYCHVQU-HNAYVOBHSA-N 372.900 3.724 0 40 FHAB biogenic Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@H]3CCCC[C@H]3O)cc12 89568275 CXTKCMVMSVIXIS-JKSUJKDBSA-N 373.453 3.568 0 40 FHAB COC(=O)c1ccc2c(O)nc(/C(Cl)=C/c3ncccc3C)nc2c1 95469218 HZCUOHGVXUAJGX-LCYFTJDESA-N 355.781 3.562 0 40 FHAB Cc1cccc(CN2CC[C@]3(CCCN(Cc4ccc(F)cc4)C3)C2=O)n1 96048796 UHMVGFGCPGDLFV-QFIPXVFZSA-N 367.468 3.544 0 40 FHAB c1ccc2nc(CN3CCC4(CC3)C[C@H](OCC3CC3)CO4)ccc2c1 96205998 DESUUDVVJMVKCB-FQEVSTJZSA-N 352.478 3.785 0 40 FHAB COc1ccc(C(=O)N2CCO[C@H](c3nccs3)C2)c2ccccc12 110877684 IPZICPRLQJJWPL-KRWDZBQOSA-N 354.431 3.519 0 40 FHAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H](C)COc1ccc(C)cc1 219564491 NRZBNKPDYNLZMJ-WMZOPIPTSA-N 357.450 3.745 0 40 FHAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 222815308 OYXHQSAPYUWHOB-OALUTQOASA-N 363.490 3.648 0 40 FHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)o1 223447427 JPKOXXFIVWYLJW-QZTJIDSGSA-N 350.447 3.551 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)NCCOc1ccccc1Cl 224615818 HKGZOVKBWZRGCL-HNNXBMFYSA-N 351.805 3.832 0 40 FHAB COc1ccc(C[C@H](Oc2ccc3ccccc3c2)C(=O)O)c(OC)c1 225113361 ANSLJNPFVJIUPO-FQEVSTJZSA-N 352.386 3.932 0 40 FHAB COc1ccc(CCNC(=S)Nc2ccc(OC)c3ncccc23)cc1 225316115 USOPNTVZOLNLNX-UHFFFAOYSA-N 367.474 3.781 0 40 FHAB COc1cccc(NC(=S)NCc2ccccc2-n2ccnc2C)c1 225449080 WIAGPBQUCFALFO-UHFFFAOYSA-N 352.463 3.676 0 40 FHAB CC(C)CSc1nnc(NC(=O)/C=C/c2ccc3c(c2)OCO3)s1 225854799 ACGFPTZDGHNOMF-GQCTYLIASA-N 363.464 3.667 0 40 FHAB O=C1C[C@]2(CC[C@@H]3[C@H](C(=O)NCc4ccccc4F)[C@H]32)Oc2ccccc21 247850585 GXBAPDJCFYVWNO-BZDYGPBWSA-N 365.404 3.502 0 40 FHAB CCOCC[C@H]1CCOC12CCN(C(=O)c1ccnc3ccccc13)CC2 253381355 DLOYVHUFEITUNG-KRWDZBQOSA-N 368.477 3.673 0 40 FHAB O=C(NC[C@@H](c1ccoc1)N1CCSCC1)Nc1ccccc1Cl 253408188 XEKRCVJDXMHVTL-INIZCTEOSA-N 365.886 3.845 0 40 FHAB O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2CN(Cc3cccs3)C[C@@H]21 306135290 OMNOJRDGMGDTEL-LPHOPBHVSA-N 371.483 3.763 0 40 FHAB CCc1cccc(C)c1NC(=S)NC(=O)c1ccc(OC)c(OC)c1 408595018 JWQYYQIAHVSMCO-UHFFFAOYSA-N 358.463 3.701 0 40 FHAB CC(F)(F)[C@]1(O)CC(c2ccc(Cl)cc2)=NN1C(=O)c1ccccc1 409003355 SCRPNKQCFCJSRG-GOSISDBHSA-N 364.779 3.934 0 40 FHAB CCN1C(=O)S/C(=C\c2cc(Br)cc(Cl)c2O)C1=O 409069308 ILBTUVDPPSBHFL-WTKPLQERSA-N 362.632 3.864 0 40 FHAB Cc1cccc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCC[C@H](C)C2)C3)c1 585103151 DOKSTYXWDQIQNN-PZJWPPBQSA-N 370.537 3.738 0 40 FHAB Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1 630327430 HLPFFBFDDZVJPX-UONOGXRCSA-N 364.323 3.849 0 40 FHAB O=S(=O)(Cc1ccccc1Cl)NCC(c1ccco1)c1ccco1 670859430 ABTCXIOWUNLIBL-UHFFFAOYSA-N 365.838 3.778 0 40 FHAB CC(=O)N(C)C1CCC2(CC1)CN(C1CCCC1)Cc1ccccc1O2 1615122805 RTPHVNPYBWTPDW-UHFFFAOYSA-N 356.510 3.983 0 40 FHAB CCN(Cc1scnc1C)[C@@H]1CCOC2(CCN(C(C)C)CC2)C1 1615158219 QSONFFCRWLTCNR-QGZVFWFLSA-N 351.560 3.695 0 40 FHAB CC1(C)C[C@@]2(CCCN2C(=O)c2ccccn2)CN1c1cccc(F)c1 1615159517 VUAIJRHOOXVVKN-NRFANRHFSA-N 353.441 3.884 0 40 FHAB O=S(=O)(C[C@@H]1C[C@H]2CC[C@H]1C2)NCCCc1c[nH]c2ccc(F)cc12 1661952125 WFKNAOFQJIVNCW-DZKIICNBSA-N 364.486 3.595 0 40 FHAB CC(C)(C)OC(=O)N1CCC(=O)[C@H]1Cc1cccc(Br)c1 1857775974 NJIJPMUNIBCHLC-CYBMUJFWSA-N 354.244 3.570 0 40 FHAB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 998360 GOYIMMXNZFRJMR-UHFFFAOYSA-N 365.260 3.964 0 40 FHAB COc1cccc(-c2nnc(SCc3c(F)cccc3Cl)n2N)c1 2378459 AMMQCPVUTWJJJZ-UHFFFAOYSA-N 364.833 3.752 0 40 FHAB Cc1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)cc1 2640369 HNZVSBGHYGDKLJ-FQEVSTJZSA-N 352.478 3.764 0 40 FHAB Cc1ccc([C@@H](NC(=O)N2CCOCC2)C(Cl)(Cl)Cl)cc1F 3177701 RBIHXGLRYVEHKM-GFCCVEGCSA-N 369.651 3.587 0 40 FHAB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)cc2)n1C 4349613 FGPPPSFSBMQTKG-UHFFFAOYSA-N 356.426 3.660 0 40 FHAB Cc1ccc(-n2c(S[C@H](C)C(N)=O)nnc2-c2ccccc2)cc1C 4835594 HHZNJCZHAUFXMK-CQSZACIVSA-N 352.463 3.517 0 40 FHAB Cc1ccc([C@H](OC(=O)c2ccco2)C(=O)NCCc2ccccc2)cc1 4900575 RENAFYOHZXINJZ-FQEVSTJZSA-N 363.413 3.845 0 40 FHAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(F)cc2F)NC(=S)N1 6378371 NCMRZOWYRNGNCE-KRWDZBQOSA-N 374.412 3.501 0 40 FHAB Cc1c(C(=O)Oc2cccc(-n3cnnn3)c2)oc2c(Cl)cccc12 7780350 OFNNABORPKIWPZ-UHFFFAOYSA-N 354.753 3.590 0 40 FHAB CCc1ncc2c(n1)CN(Cc1ncc(-c3ccc(Cl)cc3)o1)CC2 106375140 PXQNTYOSJLUYMC-UHFFFAOYSA-N 354.841 3.906 0 40 FHAB Cc1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)oc2ccc(Br)cc12 3296434 KQHMXVSJTJKYBL-UWVGGRQHSA-N 352.228 3.753 0 40 FHAB COc1ccc(Cl)cc1C[S@@](=O)CCC(=O)Nc1ccccc1 71801121 WHSCBCRHSUNNBQ-HSZRJFAPSA-N 351.855 3.626 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1-n1ccnc1 20452579 MRZAFIJVVPKGFW-CQSZACIVSA-N 355.825 3.609 0 40 FHAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc2[nH]c3c(c2c1)CCCC3 25983883 QVHPYNGLXJAQRX-HNNXBMFYSA-N 362.429 3.617 0 40 FHAB CSc1cccc(N2C[C@H](C(=O)Nc3cc(F)ccc3C)CC2=O)c1 12607445 IVHBFNQOEIUWDA-CYBMUJFWSA-N 358.438 3.848 0 40 FHAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cc(C)n(C)n1 9001775 PHBUOLYGSUWJCL-UHFFFAOYSA-N 369.446 3.886 0 40 FHAB O=C(NC[C@@H]1Cc2ccccc2O1)Nc1ccc(-c2nccs2)cc1 48277355 KPMFEFHWRAUMHX-INIZCTEOSA-N 351.431 3.935 0 40 FHAB COc1ccc(OC)c(N(CC(=O)c2ccccc2)C2=NCCCS2)c1 27027366 KPBVQBQRPCLCBV-UHFFFAOYSA-N 370.474 3.886 0 40 FHAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(C(=O)c2ccoc2)C1 24864513 CBJBNGZRQJBATG-NSHDSACASA-N 350.777 3.563 0 40 FHAB CCCCc1ccc(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 12781664 ONLDFWJJHUCGAU-INIZCTEOSA-N 373.518 3.853 0 40 FHAB Cc1c(NC(=O)CCc2c[nH]c3ccccc23)c(=O)n(-c2ccccc2)n1C 3314920 RNBKBGYUBUTRLC-UHFFFAOYSA-N 374.444 3.537 0 40 FHAB O=C(NC[C@H]1Cc2ccccc2O1)N1CCC(Cc2ccccc2)CC1 28404272 PUXYBUKSJWJJPD-HXUWFJFHSA-N 350.462 3.654 0 40 FHAB C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)CC[C@@H]2CCCO2)C1 48313402 KJEIFEBGOPQSEM-OPYAIIAOSA-N 358.526 3.740 0 40 FHAB CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1F 2397104 CLJIJIFISDTYTN-MHECFPHRSA-N 351.358 3.911 0 40 FHAB C[C@@H]1CCCN(c2ncc(-c3cccc(F)c3)c(-c3nccn3C)n2)C1 57775444 GTAJMUYFHLGJIB-CQSZACIVSA-N 351.429 3.920 0 40 FHAB CC(=O)N[C@H](CC(=O)NCC1(c2ccccc2)CC1)c1ccc(Cl)cc1 48325475 UNFWSPYRQZDNDG-LJQANCHMSA-N 370.880 3.755 0 40 FHAB CC(=O)c1cccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 12877748 PGNAYERDBPABPB-SFHVURJKSA-N 363.866 3.972 0 40 FHAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc2ccsc2[nH]1 29915611 FOUSZJBAEBUVHQ-UHFFFAOYSA-N 354.479 3.542 0 40 FHAB CCN(C(=O)COC(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1 2635175 IEBOOKAEDPTXQH-UHFFFAOYSA-N 367.323 3.795 0 40 FHAB Cc1ccc(C)c(N([C@H](C)C(=O)Nc2c(C)cccc2C)S(C)(=O)=O)c1 10365883 BVLWQPBGEXNOEZ-QGZVFWFLSA-N 374.506 3.713 0 40 FHAB CCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2cc(OC)ccc21 22235692 SQXKVBZFPSZONX-CQSZACIVSA-N 350.418 3.521 0 40 FHAB Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)NCc1ccc(F)cc1 28236933 XBNARFGLNYABFI-VIFPVBQESA-N 363.742 3.880 0 40 FHAB COc1ccccc1CNC(=O)c1sc(NC(=O)c2ccco2)cc1C 12995135 ZLBYRDZOYKPASI-UHFFFAOYSA-N 370.430 3.840 0 40 FHAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccccc1OC 20141181 IQLCFLQJGQQHLL-UHFFFAOYSA-N 353.374 3.708 0 40 FHAB Cc1ccc(NC(=O)CN(C)C(=O)CCCOc2ccccc2C)cc1 13001362 MHCAHELCXCBUGW-UHFFFAOYSA-N 354.450 3.560 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)cc1C 408589029 DKVGXLCRNFQZAL-UHFFFAOYSA-N 372.490 3.649 0 40 FHAB CCC(=O)Nc1cccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c1 13619514 XNQXCBGXOWDKTG-IBGZPJMESA-N 368.433 3.845 0 40 FHAB CC(C)C(=O)N1CCN(c2nnc(-c3cccs3)c3ccccc23)CC1 39976585 WZDVQWKUEZDNJB-UHFFFAOYSA-N 366.490 3.663 0 40 FHAB Cc1ccc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1C 4384020 DXRCZUOLZFZOJM-UHFFFAOYSA-N 360.446 3.868 0 40 FHAB O=C(CNc1ccc(F)cc1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 65521692 GRAJQKZDBKIYRL-MRXNPFEDSA-N 353.353 3.802 0 40 FHAB CCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1C 6564458 DYWAOOZSEIOJAE-UHFFFAOYSA-N 361.405 3.792 0 40 FHAB C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCc2ccccc21 6553036 IFPPYKFQTFZFTB-GFCCVEGCSA-N 350.340 3.975 0 40 FHAB O=C(c1ccc(F)cc1)N1CCC[C@@H](c2nc(-c3ccccc3)no2)C1 6618576 XXWXHIOXVHKIQD-MRXNPFEDSA-N 351.381 3.896 0 40 FHAB CCCc1n[nH]c(SCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)n1 14897645 RFJUMCYRXSOTKL-ZDUSSCGKSA-N 358.511 3.606 0 40 FHAB O=C(COC(=O)/C=C/c1cccc(Cl)c1)NC12CC3CC(CC(C3)C1)C2 6932249 BDZAFGXCPWIVTI-SNAWJCMRSA-N 373.880 3.981 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)C1CC1 5936885 FGOCGKWNOLHAST-UHFFFAOYSA-N 364.854 3.798 0 40 FHAB COc1cccc(-n2c(C)nc3c(sc4nc(C)cc(C)c43)c2=O)c1 19797267 FMIMIOCPZJSNEL-UHFFFAOYSA-N 351.431 3.929 0 40 FHAB O=C(COC(=O)c1cc(C2CC2)nn1-c1ccccc1)Nc1ccccc1 7233361 KLKMQTCBAKFISQ-UHFFFAOYSA-N 361.401 3.545 0 40 FHAB C[C@@H](Sc1nnc(-c2cccs2)n1C)C(=O)N(C)Cc1ccccc1 9494258 BILWLOPXPZBQEZ-CYBMUJFWSA-N 372.519 3.683 0 40 FHAB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1c(F)cccc1Cl 7552468 BDIWAUDGERHJTD-HNNXBMFYSA-N 352.793 3.545 0 40 FHAB Cc1ccc(CN(C)CC(=O)Nc2ccc(N3CCCC3=O)cc2)c(C)c1 7593030 JGPNWIDVCPTIRH-UHFFFAOYSA-N 365.477 3.501 0 40 FHAB CCOC(=O)c1sc(NC(=O)c2cnc(Cl)c(Cl)c2)nc1C 7786177 DTIIHNKQWFLLOZ-UHFFFAOYSA-N 360.222 3.582 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)Cc1ccc(F)cc1 8120326 DNBOQEVRUIEVQS-UHFFFAOYSA-N 366.440 3.699 0 40 FHAB Cc1[nH]c2ccccc2c1[C@H](c1cccs1)N1CCC(C(N)=O)CC1 19864054 XNKLPDHFLDOPGJ-IBGZPJMESA-N 353.491 3.825 0 40 FHAB C[C@H](NC(=O)[C@H](C)n1c(S)nnc1-c1cccs1)c1ccccc1 69483701 BKMILDASGXNBOC-RYUDHWBXSA-N 358.492 3.734 0 40 FHAB C[C@H](OC(=O)c1cccc2c1O[C@H](C)[C@@H]2C)C(=O)N1CCc2ccccc21 8481402 SMCMPNIZBKBMSQ-ZNMIVQPWSA-N 365.429 3.706 0 40 FHAB C[C@H](Sc1nccn1C)C(=O)N(c1nccs1)C1CCCCC1 8746635 PKULCUWGWPZWTQ-LBPRGKRZSA-N 350.513 3.723 0 40 FHAB CCN(Cc1ccccc1)C(=O)COC(=O)c1ccc(C(F)(F)F)cc1 72330055 KZSXSZMSKYOUEL-UHFFFAOYSA-N 365.351 3.911 0 40 FHAB O=S(=O)(CCCSC(=S)N1CCCC1)c1ccc(Cl)cc1 84419227 DZSDYGCJJCJXMM-UHFFFAOYSA-N 363.957 3.618 0 40 FHAB C[C@@](O)(c1ccc(OCC(=O)Nc2cccc(F)c2)cc1)C(F)(F)F 84651589 CKGOGGIEDYJJFM-MRXNPFEDSA-N 357.303 3.613 0 40 FHAB C[C@@H](SCc1ccn(C)n1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 95939255 UOFFORATDZXKCE-SNVBAGLBSA-N 372.475 3.973 0 40 FHAB COc1ccc(NC(=O)NCCC(=O)OCc2cc(C)ccc2C)cc1 9990446 YVEHBVCNHMAJHQ-UHFFFAOYSA-N 356.422 3.567 0 40 FHAB CC(C)OC(=O)[C@@H](C)CNC(=O)c1cc2c(s1)-c1ccccc1CC2 75148524 HUPHCDHAWAIWRN-ZDUSSCGKSA-N 357.475 3.831 0 40 FHAB CC(C)CCOc1ccc(S(=O)(=O)Nc2cccnc2Cl)cc1 89821172 GKYCOGUBGCLSML-UHFFFAOYSA-N 354.859 3.961 0 40 FHAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2CC)cc1 408556221 ZQFGBBZIGZGVPF-UHFFFAOYSA-N 362.451 3.927 0 40 FHAB CCC(=O)Oc1ccccc1/C=C1\N=C(c2ccccc2Cl)OC1=O 409192135 AVBYQARADZZGHF-PTNGSMBKSA-N 355.777 4.000 0 40 FHAB CC(=O)Nc1cccc(OCCNC(=O)N2CCC3(CCCCC3)CC2)c1 78447454 JUYAGIXFESKGAN-UHFFFAOYSA-N 373.497 3.780 0 40 FHAB FC(F)(F)c1cnc(NCCOc2ccc3c(c2)OCO3)c(Cl)c1 71955194 GGTBRCVZTXKWQE-UHFFFAOYSA-N 360.719 3.973 0 40 FHAB CN1CCN(c2ccc([C@H]3CCCCN3Cc3ccccc3)cn2)CC1 72216549 IFCDAYCFPSVIIY-OAQYLSRUSA-N 350.510 3.561 0 40 FHAB CCN(CC)C(=O)CN1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 72357641 KHJWJGIVBZWJJZ-OAQYLSRUSA-N 369.484 3.817 0 40 FHAB Nc1c(Cl)cc(-c2nn3c(C(F)(F)F)nnc3s2)cc1Cl 73634302 OVBOESORZZVUKA-UHFFFAOYSA-N 354.144 3.761 0 40 FHAB CC[C@H](C)NC(=O)c1nnn(-c2ccccc2Cl)c1-c1cccnc1 38487946 ZTFPZOUGCOPNGD-LBPRGKRZSA-N 355.829 3.511 0 40 FHAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc(OC)c1)c1ccc(OC)c(OC)c1 219307310 ZTASSKIFSWBBIN-KBXCAEBGSA-N 373.449 3.747 0 40 FHAB C[C@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1noc(CCCC(=O)O)n1 566015133 KKMLOKDWMYIGSW-SNVBAGLBSA-N 372.252 3.977 0 40 FHAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCc2ccccc21 40015936 LVGIWUXYBVVNQP-MOPGFXCFSA-N 370.880 3.898 0 40 FHAB COc1cc(OC)c([C@@H]2CC(O)=Nc3c2cnn3C(C)(C)C)cc1OC 49549410 HGBOBOFORSATPR-NSHDSACASA-N 359.426 3.788 0 40 FHAB CC[C@@H](NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(C)cc1 44935878 RJTDTPLJGMLMCL-OAQYLSRUSA-N 352.478 3.708 0 40 FHAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C)cc1 223768500 JTIBLEACBIPANT-RTBURBONSA-N 364.474 3.606 0 40 FHAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2cc(F)ccc2Br)C1 47415641 YLTGEQKHQFLOPE-CHWSQXEVSA-N 371.294 3.686 0 40 FHAB CCCCOc1ccc(C(=O)NCc2ccnc(N3CCCCC3)n2)cc1 224207433 JIMLXRJWSDCTPE-UHFFFAOYSA-N 368.481 3.576 0 40 FHAB Cc1nc([C@H]2CCCOC2)sc1C(=O)NC1(Cc2ccc(F)cc2)CC1 333972015 WSROKBRKAIIFNB-HNNXBMFYSA-N 374.481 3.990 0 40 FHAB COc1ccc(C[C@H]2CN(C(=O)c3ccc(C)cc3)CC[C@H]2OC)cc1 96110244 MKDORVVCVYLBQC-PZJWPPBQSA-N 353.462 3.723 0 40 FHAB Cn1cc(CCCC(=O)NCCc2nc3ccccc3[nH]2)c2ccccc21 96117502 ZTECKKBGNHERCA-UHFFFAOYSA-N 360.461 3.736 0 40 FHAB COc1ccccc1NN/C=C1\C(=O)N(c2ccc(Cl)cc2)N=C1C 95471518 NHWACHHSIFXDNR-PTNGSMBKSA-N 356.813 3.572 0 40 FHAB O=C1C[C@H](c2cccc(O)c2)c2c(ccc3nn(-c4ccc(F)cc4)nc23)N1 96117347 VGTSLJUXIJWFQU-MRXNPFEDSA-N 374.375 3.739 0 40 FHAB CC(C)Cc1nc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)n[nH]1 96118309 GHCZGQDJPNRUQO-UHFFFAOYSA-N 372.432 3.866 0 40 FHAB CC(=O)Nc1ccc(CN2C[C@@H]3CC[C@@](O)(c4ccc(F)cc4)[C@H]3C2)cc1 247902106 BEHBBQOBFMKGLB-BULFRSBZSA-N 368.452 3.514 0 40 FHAB Cc1cccc(N(CC(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)c1C 244055013 TVJIWUKIDQDBSM-UHFFFAOYSA-N 374.506 3.832 0 40 FHAB CCCn1nccc1-c1ccc(C[C@@H]2CCN(C(=O)C(C)(C)C)C2)cn1 257248246 JCURSDBCJZEKIX-KRWDZBQOSA-N 354.498 3.792 0 40 FHAB CCn1cc(CC(=O)N2CCCN(Cc3ccccc3)c3ccccc32)cn1 585080956 GFIRKKKXSXTLMM-UHFFFAOYSA-N 374.488 3.889 0 40 FHAB COC1(C(=O)Nc2ccc(OCCN3CCCC[C@H]3C)cc2)CCCC1 260812556 GGOGBNIWUPQZMW-QGZVFWFLSA-N 360.498 3.838 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N[C@H](C)C(C)C)c2)cc1 260897695 KCKPVHNTZXUHRZ-MRXNPFEDSA-N 374.506 3.594 0 40 FHAB C[C@@H](NC(=O)N1CCC[C@H](n2ccnc2)C1)c1ccc(F)c(Cl)c1 590859874 CEZQVVWUYMQBPU-OCCSQVGLSA-N 350.825 3.783 0 40 FHAB O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccc(C2CC2)cc1 667312573 UKYSOKNOYPMPER-NRFANRHFSA-N 368.452 3.506 0 40 FHAB CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)[C@H]3C[C@H]4C=C[C@H]3C4)cc21 102138504 BRZJZUFLXBDTEF-DZKIICNBSA-N 354.450 3.609 0 40 FHAB O[C@@H](CNC1CCCCCCC1)COCCOc1ccc(Cl)cc1 5867439 ZFAFCMYAUPCOHU-SFHVURJKSA-N 355.906 3.799 0 40 FHAB Cc1c(CCC(=O)NCC(C)C)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 12902953 SYTDMDDFXOJHII-UHFFFAOYSA-N 371.477 3.910 0 40 FHAB biogenic COc1ccc2ccccc2c1/C=c1/sc2nc3ccccc3n2c1=O 12917952 CMUWSXZJJUBOML-XDHOZWIPSA-N 358.422 3.619 0 40 FHAB Cc1n[nH]c(C)c1NC(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 14404433 KNJFYXPYKIGFJF-MDWZMJQESA-N 360.417 3.931 0 40 FHAB CC(C)Oc1ccc(/C=C/C(=O)NC[C@H]2OCCc3ccccc32)cc1 16849617 PRWLQDVOTNZUNZ-VZOQVYJPSA-N 351.446 3.917 0 40 FHAB COc1ccccc1-n1nnc(C(=O)OCc2cc(C)ccc2C)c1C 16845694 DBKBJXJSLZEROB-UHFFFAOYSA-N 351.406 3.558 0 40 FHAB C[C@@H](Oc1ccccc1F)C(=O)N1CCC(c2cc3ncccc3[nH]2)CC1 19077982 QTKMLAFOKLBDOA-CQSZACIVSA-N 367.424 3.876 0 40 FHAB COCCCN(Cc1ccccn1)Cc1ccc2cc(OC)ccc2n1 19593277 PWRLHSDUJVBGDJ-UHFFFAOYSA-N 351.450 3.677 0 40 FHAB CCC(=O)N1CCC(c2nc(N(C)C)ncc2-c2cccc(Cl)c2)CC1 19695169 PVZTXJROPHCVIZ-UHFFFAOYSA-N 372.900 3.979 0 40 FHAB O=C(/C=C/c1ccccc1)N1CCN(c2nc3ccc(F)cc3s2)CC1 4583446 KDZNGYNABCPGTK-RMKNXTFCSA-N 367.449 3.797 0 40 FHAB Cc1c(C(N)=O)c2ccccc2n1C(=O)Cc1ccc(Br)cc1 226366198 SAPRCJISIKUKDK-UHFFFAOYSA-N 371.234 3.694 0 40 FHAB CO[C@H](C(=O)N(c1ccc(F)c(Cl)c1)c1nccs1)[C@H]1CCOC1 622835054 GXBDOAYUZMRSLK-HZMBPMFUSA-N 370.833 3.652 0 40 FHAB COc1ccc(C(=O)CCC(=O)Nc2cc3c(cc2C)OCCO3)cc1C 12196320 BHVLMRWMDNOIQZ-UHFFFAOYSA-N 369.417 3.685 0 40 FHAB COc1ccc([C@@H]2[C@@H](NC(=O)CCCn3ccnc3)[C@H]3CCCC[C@H]32)cc1 19557466 RDABXXOMZNTEKS-WAGURGNTSA-N 367.493 3.761 0 40 FHAB CC(C)n1c(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)nc2ccccc21 1888999947 NIVNJGRLYNHAAI-HZPDHXFCSA-N 370.497 3.920 0 40 FHAB O=C(c1ccc2cc[nH]c2c1)N1C[C@H](c2ccccc2)[C@H](c2ncon2)C1 245070492 QMDSHDYLJDGHTF-QZTJIDSGSA-N 358.401 3.574 0 40 FHAB CC1(C)CC(=O)c2sc(NC(=O)CSC(=O)c3ccccc3)nc2C1 753942 WAJKPHQAAFRJLN-UHFFFAOYSA-N 374.487 3.810 0 40 FHAB O=C(CN1C(=O)C[C@@H](c2ccco2)Sc2ccccc21)NC1CCCC1 4162844 DXDWHRBUZLMHNL-SFHVURJKSA-N 370.474 3.909 0 40 FHAB Cc1ccccc1-n1ncc2c(=O)n(Cc3ccccc3Cl)cnc21 4479085 SCKAQCJKVCMZEL-UHFFFAOYSA-N 350.809 3.592 0 40 FHAB CCSc1ccc(CC(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 10252487 YACUDOSVSGJPSL-UHFFFAOYSA-N 354.431 3.825 0 40 FHAB COc1ccc(S(=O)(=O)NCC2(c3cccs3)CCCC2)cc1C 13804463 JGTSLDRAFDRCGB-UHFFFAOYSA-N 365.520 3.855 0 40 FHAB O=S(=O)(NCC1CCN(C2CCCC2)CC1)c1cccc2ccccc12 22999907 JKMWEUUTTPFUOT-UHFFFAOYSA-N 372.534 3.773 0 40 FHAB O=S(=O)(C/C=C/c1ccccc1)Cc1cc(Cl)c2c(c1)OCCO2 40105951 KYODUNAJQBIYKK-QPJJXVBHSA-N 364.850 3.739 0 40 FHAB Cc1c(Cl)c(COC(=O)CCNC(=O)c2ccco2)nc2ccccc12 21336464 CPNYXHUGILZACF-UHFFFAOYSA-N 372.808 3.653 0 40 FHAB CC(=O)c1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)s1 32768670 YUVCUDLODLWZKH-GOSISDBHSA-N 359.447 3.849 0 40 FHAB C[C@@H]1c2cccn2CCN1Cc1nc2scc(-c3ccco3)c2c(=O)[nH]1 22089388 TUGJFHRKCAMPIL-GFCCVEGCSA-N 366.446 3.623 0 40 FHAB CC(C)(C)NC(=O)COc1ccc(Br)cc1Br 674082 RZXVANHFXROJPX-UHFFFAOYSA-N 365.065 3.505 0 40 FHAB COc1cc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc(OC)c1OC 1051260 PFAPAMIMZMHFGT-RIYZIHGNSA-N 373.792 3.710 0 40 FHAB c1nc(NCCc2ccc3c(c2)OCCO3)c2c3c(sc2n1)CCCC3 1465598 WWTDUJQXSIUUBR-UHFFFAOYSA-N 367.474 3.996 0 40 FHAB C[C@H](NC[C@@H]1C(=O)O[C@@H]2CC3=CCC[C@H](C)[C@@]3(C)[C@@H](O)[C@@H]21)c1ccccc1 2119126 YSIINEYFHDVBCW-RYIVQDHCSA-N 369.505 3.622 0 40 FHAB CCCCc1nc2sc3c(SCC(N)=O)ncnc3c2c2c1CCC2 2356582 LWUDHQLWDKVRND-UHFFFAOYSA-N 372.519 3.648 0 40 FHAB CCSc1nc(NCCN(C)C)c2c3c(sc2n1)COC(C)(C)C3 2401441 VANYINQECGLBKL-UHFFFAOYSA-N 366.556 3.628 0 40 FHAB O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)NCc1cccs1 3247224 OMHFFORQMMNBIL-UHFFFAOYSA-N 361.438 3.559 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)CSc1ncnc2ccccc12 3253767 FJHJXAJCHKJRAP-HNNXBMFYSA-N 351.475 3.859 0 40 FHAB CN(C)C(=S)SCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 3353658 UDYLLKRUOXNUOP-UHFFFAOYSA-N 356.822 3.877 0 40 FHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCC(C)C)cc1 3559959 AFAAAYGBHWZFRM-UHFFFAOYSA-N 374.506 3.678 0 40 FHAB CN(C)c1cc(C[S@](=O)c2ccc(Cl)cc2)nc(-c2ccccn2)n1 4060053 XXDXXAQQPGBXDQ-RUZDIDTESA-N 372.881 3.566 0 40 FHAB CCOc1ccc(C(=O)NCCc2csc(-c3cccnc3)n2)cc1 4167032 UQYCAAUIDJZXTR-UHFFFAOYSA-N 353.447 3.576 0 40 FHAB CCOC(=O)c1ccsc1NC(=O)c1ccccc1Br 4281413 HODJOXOLCLNQMC-UHFFFAOYSA-N 354.225 3.940 0 40 FHAB COc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2C(C)C)c1 4736119 UIHLRHSSSVACMY-UHFFFAOYSA-N 372.450 3.858 0 40 FHAB O=C(O)C[C@H](NC(=O)c1cccc(Br)c1)c1ccc(F)cc1 4954399 IJCBRDUWUMQTOS-AWEZNQCLSA-N 366.186 3.534 0 40 FHAB Cc1c(Cl)cnc(NC(=O)COC(=O)/C=C/c2ccccc2)c1Cl 5113409 PHYCGIYMRRMEBL-BQYQJAHWSA-N 365.216 3.892 0 40 FHAB CC(=O)c1cccc(NC(=O)c2cccn(Cc3cccc(C)c3)c2=O)c1 5269668 JCEIILPFALHRGJ-UHFFFAOYSA-N 360.413 3.660 0 40 FHAB O=C1[C@H](c2ccccc2)N(c2ccccc2)C(=O)CN1c1ccccc1F 5482967 AUPXCUOPRFHZCO-NRFANRHFSA-N 360.388 3.947 0 40 FHAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NC[C@@H]3CCCO3)c2n1 5732673 LRJUFHPIXXMDIX-NSHDSACASA-N 369.248 3.524 0 40 FHAB COc1ccc(C)cc1NC(=O)CSc1ccc(-c2ccccn2)nn1 6859361 VOZXZULYEBALSO-UHFFFAOYSA-N 366.446 3.586 0 40 FHAB c1csc(-c2noc(CSc3nnc4[nH]c5ccccc5n34)n2)c1 6983123 AZGBMZHEMAJQJY-UHFFFAOYSA-N 354.420 3.614 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2ccc(OC)c(Cl)c2)c1C 7389787 HXUULRJJQZAGMV-NSHDSACASA-N 364.829 3.763 0 40 FHAB COc1cc(C(=O)NCc2ccc(CN3CCCCC3)cc2)ccc1C 7448909 VQICBIRSCOITJW-UHFFFAOYSA-N 352.478 3.920 0 40 FHAB Cc1cc(C(=O)O[C@@H](C)C(=O)NCCC2=CCCCC2)c(C)n1C1CC1 7575506 HGRDKBQJYXSKCV-INIZCTEOSA-N 358.482 3.992 0 40 FHAB Cc1cccc(NC(=O)CSCC(=O)NCc2ccc(Cl)cc2)c1 7608680 QKIQDVRKJZROSG-UHFFFAOYSA-N 362.882 3.637 0 40 FHAB CCNC(=O)NC(=O)[C@@H](C)Nc1cccc(-c2nc3ccccc3s2)c1 7777405 ZDUAGACYSYVIQM-GFCCVEGCSA-N 368.462 3.609 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCCc1ccc(F)cc1 8077568 UEONDNBJJWSVOA-UHFFFAOYSA-N 351.425 3.660 0 40 FHAB Cc1ccc(-c2nc(CC(=O)Nc3cccc(C(N)=O)c3)cs2)c(C)c1 9533012 UQNJWDUOZZBJSX-UHFFFAOYSA-N 365.458 3.707 0 40 FHAB COc1ccccc1CCNC(=O)Cc1csc(-c2cccs2)n1 9690702 OGJLENMDUGOZNC-UHFFFAOYSA-N 358.488 3.782 0 40 FHAB CCCCCc1nnc(NC(=O)c2cnc3c(cnn3C(C)C)c2)s1 9953262 KKWSQJKDURXAQE-UHFFFAOYSA-N 358.471 3.849 0 40 FHAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCOCC2)cc1 9953771 GHYOUAVILKCJMH-UHFFFAOYSA-N 364.445 3.635 0 40 FHAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc(C)cc3C)CC2)c(F)c1 11007308 KNGZWQHIJWQKIN-UHFFFAOYSA-N 354.425 3.608 0 40 FHAB Cc1cc(C)n(-c2ccc(SCc3nnc(-c4cccs4)o3)nn2)n1 11140041 FWCJNSBXDLXWFQ-UHFFFAOYSA-N 370.463 3.683 0 40 FHAB COc1ccc(C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)cc1 12111329 BXLCTXZFEAVHBX-UHFFFAOYSA-N 353.378 3.785 0 40 FHAB COc1ccc(CC(=O)N2CCC(c3onc4c3C[C@H](C)CC4)CC2)cc1 12119819 BXKSQSXOSHMIPD-OAHLLOKOSA-N 368.477 3.757 0 40 FHAB Cn1c(N2CCC(C(=O)Nc3ccccc3F)CC2)nc2ccccc21 12221695 UGZKUJTXJYLWJQ-UHFFFAOYSA-N 352.413 3.568 0 40 FHAB CCOCc1cc(CN2CCC(O)(c3ccccc3F)CC2)ccc1OC 12363516 LCNIAWMMIDZVTB-UHFFFAOYSA-N 373.468 3.854 0 40 FHAB COC(=O)c1ccc2ccccc2c1OCC(=O)Nc1cccc(F)c1 12757126 PGMJVPDJXRUZFC-UHFFFAOYSA-N 353.349 3.783 0 40 FHAB CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C(C)(C)c2ccccc2)c1 12763580 KZSDDLBLERLWRW-UHFFFAOYSA-N 374.506 3.680 0 40 FHAB O=C(NC1CC1)[C@H](NCCCCOc1ccc(F)cc1)c1ccc(F)cc1 12855024 ZXOKBIHOVBAVQN-HXUWFJFHSA-N 374.431 3.733 0 40 FHAB CCN(CC)C(=O)[C@@H](Sc1nnc(NC2CC2)s1)c1ccccc1 12909940 HAWLUYVQSAKOEO-AWEZNQCLSA-N 362.524 3.814 0 40 FHAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccc(F)cc1Cl 12916461 VYVLKFKKENDGAC-UHFFFAOYSA-N 373.815 3.834 0 40 FHAB O=C1CC2(CCN(C(=O)NC3CCCCC3)CC2)Oc2ccc(F)cc21 13266612 LARBJJQGSQKGQI-UHFFFAOYSA-N 360.429 3.668 0 40 FHAB Cc1cc(C)cc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c1 13583037 KXLFJZNLVBDIEH-UHFFFAOYSA-N 372.490 3.649 0 40 FHAB COc1cc([C@H]2CC(=O)Nc3sc4c(c32)CCCC4)cc(OC)c1O 15086003 VDACTEJRBDXTTO-GFCCVEGCSA-N 359.447 3.824 0 40 FHAB Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1ccc(N2CCCC2=O)cc1 15091145 DTWZVFQYSIFOHT-UHFFFAOYSA-N 374.872 3.880 0 40 FHAB Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccccn1 16756011 PQTQQHOUMBHLRF-UHFFFAOYSA-N 352.250 3.653 0 40 FHAB C[C@H]1CCc2c(C(=O)N3CCN(Cc4ccccc4)CC3)csc2C1 17357838 WVDAGBHSSYFZPD-INIZCTEOSA-N 354.519 3.831 0 40 FHAB Cc1ccc([C@@]2(C)NC(=O)N(CCCOc3cc(C)ccc3C)C2=O)cc1 17478913 ACVVFVIVOHTFOO-JOCHJYFZSA-N 366.461 3.848 0 40 FHAB Cn1cc(-c2csc(NC(=O)c3ccccn3)n2)c(-c2ccccc2)n1 19697100 GBOUBSSNBHKZBF-UHFFFAOYSA-N 361.430 3.858 0 40 FHAB CC[C@H]1CCCCN1CCCNC(=O)[C@@H](CC)Oc1ccc(F)cc1 20490987 DVQKKJLAHZBQCH-PKOBYXMFSA-N 350.478 3.754 0 40 FHAB CCN(CC)CCNCc1ccc(OCCc2ccccc2)c(OC)c1 22107715 QZWXDLMPDGYUIR-UHFFFAOYSA-N 356.510 3.748 0 40 FHAB C[C@@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1cccnc1 22692847 OOGCSKOHKVCPDM-GFCCVEGCSA-N 356.813 3.595 0 40 FHAB COc1cc(Br)c(CN[C@@H](C)c2ccccn2)cc1OC 25359106 IYSMDJPIDLQIBS-NSHDSACASA-N 351.244 3.712 0 40 FHAB Cc1ccc(-c2nnc(CN(C)[C@@H](C)c3ccc(-n4cncn4)cc3)o2)cc1 25926535 ILVRWGSBMBUNEN-INIZCTEOSA-N 374.448 3.819 0 40 FHAB COc1ccc(Cn2nccc2NC(=O)COc2ccc(C)c(C)c2)cc1 28293653 RRRATOKEMZKTGE-UHFFFAOYSA-N 365.433 3.574 0 40 FHAB Cc1cc(C)c(NC(=O)CSc2nc3ccccc3c(=O)n2C)c(C)c1 28606938 DRYJBIXDUNGFQH-UHFFFAOYSA-N 367.474 3.590 0 40 FHAB COc1cc(C(=O)N[C@H]2CCOc3ccccc32)ccc1OCC(C)C 28665407 IYXBGPJOSRSUSS-KRWDZBQOSA-N 355.434 3.984 0 40 FHAB O=C(NCc1ccnc(OCC(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2 32293603 CJVYHLSQUIJIKQ-UHFFFAOYSA-N 368.399 3.855 0 40 FHAB COCCn1c(SCCC(=O)Nc2cccc(F)c2)nc2ccccc21 32870841 RUSIWMVQLFALAZ-UHFFFAOYSA-N 373.453 3.943 0 40 FHAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 33604718 FYPBOWFUZRJRIK-UHFFFAOYSA-N 361.467 3.670 0 40 FHAB O=C(O)[C@@H]1CS[C@H](c2ccc(COc3c(Cl)cccc3Cl)o2)N1 36612346 TZRQVNAOFSMRFZ-SMDDNHRTSA-N 374.245 3.954 0 40 FHAB Cc1cccc(-n2c(SCCN3C(=O)CCC3=O)nc3ccccc32)c1 40068498 IUGWNUDWIZBMNE-UHFFFAOYSA-N 365.458 3.575 0 40 FHAB CN(C)[C@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)c1ccsc1 40070896 WJCVNBNJUVWBDX-OAHLLOKOSA-N 356.413 3.729 0 40 FHAB COc1ccc(OC)c([C@H](O)CNC(=O)Nc2ccc(C(C)C)cc2)c1 40096960 CPXUMLFRURHPEL-GOSISDBHSA-N 358.438 3.682 0 40 FHAB Cc1nn(CC(C)C)c(C)c1CC(=O)NCCOc1cccc(Cl)c1 40108411 HPVRBAWZCCTIAV-UHFFFAOYSA-N 363.889 3.547 0 40 FHAB Cn1cc(C(=O)Nc2cccc(Br)c2)c(=O)c2ccccc21 41056898 LBCJJFLNANHNKD-UHFFFAOYSA-N 357.207 3.553 0 40 FHAB O=C(NC1CCC(O)CC1)N1CCCC[C@H]1c1nc2ccccc2s1 42961261 HOSDDKUPCGDVPP-XUJLQICISA-N 359.495 3.836 0 40 FHAB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc1O 44028590 AVXGSRTWCQQONX-XYOKQWHBSA-N 373.206 3.709 0 40 FHAB C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 45988431 NMJFUISQLISYSU-VQIMIIECSA-N 373.497 3.639 0 40 FHAB Cc1ccc(NC(=O)c2cc3cc(Br)ccc3oc2=N)nc1 57523780 DFBGTGLZOVHUKQ-UHFFFAOYSA-N 358.195 3.630 0 40 FHAB CCC[C@@H]1CCCN(C(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)CC1 58418807 NMUMONNHFURJSG-MRXNPFEDSA-N 359.470 3.646 0 40 FHAB C[S@@](=O)c1ccc(C(=O)Nc2cccc(Cl)c2-n2cccn2)cc1 65605696 NGZNXSOPCYFHPY-DEOSSOPVSA-N 359.838 3.515 0 40 FHAB O=C(N[C@@H]1CCc2ccccc21)c1n[nH]nc1Nc1ccc(Cl)cc1 67283700 KLRJYZDNZKTWRY-OAHLLOKOSA-N 353.813 3.619 0 40 FHAB Cn1c(=O)n(C)c2cc(/C=C3\SC(=O)N=C3Nc3ccccc3)ccc21 71284293 ZFRHLEJJUZPHHC-WJDWOHSUSA-N 364.430 3.595 0 40 FHAB O=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@@H]1c1ccccc1Cl 80408595 BSHUBOHONAOJDG-QGZVFWFLSA-N 352.825 3.898 0 40 FHAB Cn1ccnc1Sc1ccc(NC(=O)c2ccc([S@@](C)=O)cc2)cc1 84331723 GUVAFADYXUEHTD-VWLOTQADSA-N 371.487 3.561 0 40 FHAB COCCOc1ccc(C(=O)N2[C@H](C)Cc3cc(F)ccc3[C@H]2C)cc1 95455924 PHUOLAVBMMGCJF-HUUCEWRRSA-N 357.425 3.999 0 40 FHAB OCCCc1cn(Cc2coc(-c3cccc(F)c3)n2)nc1C(F)(F)F 95460297 ORLSBDANKQNIIN-UHFFFAOYSA-N 369.318 3.669 0 40 FHAB Cc1ccc(-c2nc(CC(=O)N3CC[C@H](C(C)(C)C)[C@H](O)C3)cs2)o1 95464976 BRNCFUSBNAJOPV-LSDHHAIUSA-N 362.495 3.510 0 40 FHAB O=C(CSc1ccccc1)N1CCC[C@@H](n2nccc2C(F)(F)F)C1 95466104 WICJDEHGQNDVQE-CYBMUJFWSA-N 369.412 3.858 0 40 FHAB CC(C)c1cc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)n(-c2ccccc2)n1 95474674 FQYHUSDAYMMPIR-JTSKRJEESA-N 367.493 3.763 0 40 FHAB Cc1cccc(C)c1NC(=O)c1ccccc1OCC(=O)NC(C)(C)C 96191933 BTWXNZWEMOTNCC-UHFFFAOYSA-N 354.450 3.849 0 40 FHAB CC1(C)CCc2cc(CC(=O)NCC3(CC(=O)O)CCCCC3)ccc2O1 96230903 VWHKXQWETWSZCE-UHFFFAOYSA-N 373.493 3.874 0 40 FHAB COc1ccc(C(=O)Nc2ccc(I)cc2F)cc1 98071630 NHWIPQMQCDZMPS-UHFFFAOYSA-N 371.149 3.691 0 40 FHAB Clc1cccc(CN2C[C@@H]3CCC[C@@H](C2)C3N2CCOCC2)c1Cl 100214038 YKGLZZKVLQIVQY-HOTGVXAUSA-N 369.336 3.926 0 40 FHAB Cc1cc(C)c2s/c(=N\C(=O)c3cc(=O)c4ccccc4o3)n(C)c2c1 100908827 GOXLHVRIZHBOQT-MRCUWXFGSA-N 364.426 3.704 0 40 FHAB Cc1cccc(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)c1C 116180683 ZEDCAJURZSORDU-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@]2(O)CCC(=O)O 118931290 QIZQZYDEIVNNAA-BSMDRJKDSA-N 362.510 3.906 0 40 FHAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(C(F)(F)F)cc2)C1=O 205732591 HDFHNZRSGXLIRC-KPKJPENVSA-N 373.352 3.693 0 40 FHAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2nc(-c3cccc(C)c3)no2)c1 219552230 BEAKQNDKLATJPK-INIZCTEOSA-N 365.433 3.746 0 40 FHAB Cc1ccc(N2CCC(C(=O)NCCSCc3ccco3)CC2)cc1 219853941 SLCQYJAYRIXPOF-UHFFFAOYSA-N 358.507 3.854 0 40 FHAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H](C)COc2ccc(OC)cc2)cc1 222892644 FUGMSRODRWRERR-HRAATJIYSA-N 371.477 3.999 0 40 FHAB CC1(C)CCc2cc(S(=O)(=O)Nc3ccc(F)c(F)c3)ccc2O1 223664043 DYKXSPJOCDUUNA-UHFFFAOYSA-N 353.390 3.869 0 40 FHAB S=C(NCc1ccccc1)Nc1ncc(Br)cc1Cl 223921211 CWLOQJSZKMQBAE-UHFFFAOYSA-N 356.676 3.984 0 40 FHAB COc1ccc(S(=O)(=O)N(C)c2ccc(OC3CCCC3)cc2)cc1 224872686 QPWCDKKDZMNFOX-UHFFFAOYSA-N 361.463 3.842 0 40 FHAB C[C@@H](COc1ccccc1)NC(=S)Nc1ccc(N2CCCC2=O)cc1 225783639 YCAVTMYWWVONHQ-HNNXBMFYSA-N 369.490 3.567 0 40 FHAB CCc1ccc(NC(=S)NCc2nc(-c3cccc(OC)c3)no2)cc1 225822073 STWBRKOCFYZPDL-UHFFFAOYSA-N 368.462 3.794 0 40 FHAB CC(C)NC(=S)Nc1nc(N2CCCCCC2)cc(C(F)(F)F)n1 225890167 NXJFKMMAMAMJND-UHFFFAOYSA-N 361.437 3.571 0 40 FHAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCOCC)nc1 225904600 GJGBOPMPAPUCPR-IBGZPJMESA-N 352.475 3.667 0 40 FHAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c3c(cccc13)CC2 226862079 MLYQFVVPVCCRNX-UHFFFAOYSA-N 367.426 3.526 0 40 FHAB COc1cccc(Cc2cnc([C@@H]3CCN(C(=O)C4CCCC4)C3)o2)c1 257300475 RULBADOYOFNCEE-QGZVFWFLSA-N 354.450 3.780 0 40 FHAB O=C(O)c1cccc(-c2nc(CN3CC[C@@H](c4cccnc4)C3)cs2)c1 567619723 AJACIZUKJRJMBO-QGZVFWFLSA-N 365.458 3.893 0 40 FHAB Cc1ccc(-c2n[nH]cc2CN2CC[C@@H](c3ccccc3)[C@@H](CO)C2)cc1 585084465 CLOYTXBZGLLCCM-YADHBBJMSA-N 361.489 3.983 0 40 FHAB CC1([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)CC1 687314298 PIPCRBGGPCPBKS-SFHVURJKSA-N 351.402 3.778 0 40 FHAB O=C(c1ccccc1)N1C[C@@H](COc2ccccc2)O[C@H](c2ccoc2)O1 710003 WFIDAVWEPLDZFJ-FPOVZHCZSA-N 365.385 3.830 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 800600 USTKHOXPPAJSSI-CYBMUJFWSA-N 358.825 3.730 0 40 FHAB CCc1cccc(CC)c1NC(=O)[C@@H]1CCCN(c2nccc(C)n2)C1 1358092 GDKVARJFONIDRS-GOSISDBHSA-N 352.482 3.765 0 40 FHAB COc1ccccc1[C@H](OC(=O)c1cccs1)C(=O)NC1CCCC1 1381166 XAGZTYGFBAHENY-KRWDZBQOSA-N 359.447 3.714 0 40 FHAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cccc2cn[nH]c12 1430708 BQGFLIFGQNIQPT-UHFFFAOYSA-N 365.842 3.724 0 40 FHAB O=C(NC1CCCCC1)Nn1c(-c2ccccc2)nc2ccccc2c1=O 2284696 NJIVOIFJMGUOBY-UHFFFAOYSA-N 362.433 3.649 0 40 FHAB Cc1ccccc1C(=O)c1ccc(CN2CCC3(CC2)OCCO3)cc1 2514714 VDENTMPRWGHSAO-UHFFFAOYSA-N 351.446 3.565 0 40 FHAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(OC(F)(F)F)cc2)c1 2652470 YSRUETQCJQRORW-UHFFFAOYSA-N 367.323 3.998 0 40 FHAB S=C(NCCC(c1ccccc1)c1ccccc1)NC[C@H]1CCCO1 2774834 OTUIFBOYUSJOFZ-LJQANCHMSA-N 354.519 3.852 0 40 FHAB Cc1ccc(CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc23)cc1 3037037 FUFMGFUKFOUHHG-UHFFFAOYSA-N 371.234 3.529 0 40 FHAB Cc1ccc(C)c(-n2nnnc2S[C@H](C)C(=O)c2ccc(F)c(F)c2)c1 3293495 ICPDOZBQXJAQPR-GFCCVEGCSA-N 374.416 3.921 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(C)s2)c(Br)c1 3389304 XAZGWEAKKBYKSM-UHFFFAOYSA-N 358.286 3.648 0 40 FHAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H](C)C(=O)c2ccc(C)cc2)c1C 3483744 TYEKQXYDFWJVSY-CQSZACIVSA-N 357.406 3.545 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1 3899960 PZSVFCDKMAIWOJ-UHFFFAOYSA-N 359.234 3.753 0 40 FHAB CCCCCCN[C@H](CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)O 4280178 SMDDDWBTTWQOJR-CQSZACIVSA-N 361.269 3.945 0 40 FHAB Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)N(C)c3ccc(Cl)cc32)c(C)c1 4556190 FHQOJWPSLZMFAZ-HXUWFJFHSA-N 357.837 3.702 0 40 FHAB CC[C@@H](CO)NCc1cc(Br)c(OC2CCCC2)c(OC)c1 4657698 BPWPQFZFHUZYKO-ZDUSSCGKSA-N 372.303 3.640 0 40 FHAB COc1ccc([C@H]2CC(=O)c3cnc(NCCc4ccco4)nc3C2)cc1 4777126 LOSVTROPSGLBFS-OAHLLOKOSA-N 363.417 3.646 0 40 FHAB Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1C1CCCCC1 5866175 OCGLKCJCWWRMMH-UHFFFAOYSA-N 374.466 3.551 0 40 FHAB CCOc1ccc(/C=C2\SC(=N)[C@H](c3nnc(CC)s3)C2=O)cc1 6160419 ILMINFQMTSJKJJ-QNORNXTCSA-N 359.476 3.917 0 40 FHAB COC(=O)c1ccc(/C=C2\N=C(c3ccc(C)c(Cl)c3)OC2=O)cc1 6478112 RNSIYMNESQCAMT-SXGWCWSVSA-N 355.777 3.780 0 40 FHAB Cc1ccccc1-c1noc(-c2nnn(-c3ccc(C(C)C)cc3)c2N)n1 6868249 KOMDSIYPGOIWGG-UHFFFAOYSA-N 360.421 3.998 0 40 FHAB Cc1nn(-c2ccccc2)nc1C(=O)OCc1nc2ccccc2s1 7292335 NZAPRIXJQNOMBC-UHFFFAOYSA-N 350.403 3.542 0 40 FHAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccccc1Cc1ccccc1)CS2 7344676 LGZZDASUFZHOJO-RXVVDRJESA-N 366.486 3.670 0 40 FHAB CCn1c(SCC(=O)N2CC=C(c3ccccc3)CC2)nnc1C1CC1 7533879 YPWKRADIBOJUNC-UHFFFAOYSA-N 368.506 3.583 0 40 FHAB O=C(COC(=O)CSc1ccc(Cl)cc1)Nc1cccc(F)c1 7698955 AOMIZOJYSVRMOA-UHFFFAOYSA-N 353.802 3.753 0 40 FHAB COc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1F 7941395 VUIZHDWBTAERCC-UHFFFAOYSA-N 356.441 3.750 0 40 FHAB COCc1c(C(=O)Nc2cccc(C(=O)NC3CC3)c2)oc2ccccc12 8075864 ZSQABQKNGMZKSP-UHFFFAOYSA-N 364.401 3.724 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnnn1C1CCCC1 8343117 KOLXGSPAMGIHGL-GFCCVEGCSA-N 355.467 3.941 0 40 FHAB CCOc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1OCC 8498951 YBIOXOLUCAKQGY-UHFFFAOYSA-N 369.870 3.616 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)cc1C 8499730 NXBRQZCLJKSMLI-MRXNPFEDSA-N 354.450 3.848 0 40 FHAB CC(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccco3)C2)cc1 8775005 TZKPNLDERUPIHG-QGZVFWFLSA-N 363.373 3.823 0 40 FHAB COc1ccccc1Nc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 9315714 QWHHTWOVZVDQMY-UHFFFAOYSA-N 360.460 3.966 0 40 FHAB C[C@H](Sc1nncn1-c1ccccc1)C(=O)NC[C@@H](C)c1ccccc1 9322096 ZQDKXSNHMWEVAV-CVEARBPZSA-N 366.490 3.668 0 40 FHAB COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc(F)cc1 9646329 DEOKSUOUHFDCRP-UHFFFAOYSA-N 365.407 3.628 0 40 FHAB CN(C(=O)Cc1csc(NC(=O)c2ccccc2)n1)c1ccccc1 9787399 DXBXIHGTAQWUMY-UHFFFAOYSA-N 351.431 3.601 0 40 FHAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2-c2ccccc2)c1 10363786 QHGAZEHKYLPORF-UHFFFAOYSA-N 366.442 3.977 0 40 FHAB CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 10370432 HLFWPMCWFBRPJK-OAHLLOKOSA-N 360.479 3.633 0 40 FHAB Cc1csc(NC(=O)Cc2csc(COc3ccc(F)cc3)n2)n1 11650654 PKMWWSCMBGPJBO-UHFFFAOYSA-N 363.439 3.807 0 40 FHAB CCCCN1CCC(C[C@@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)O)CC1 12242112 XMSKYCUDNXLPAV-KRWDZBQOSA-N 362.445 3.676 0 40 FHAB Nc1nc2c(s1)[C@@H](c1ccccc1OCc1ccccc1F)CC(=O)N2 12375572 AYMXBWDETYFREP-CYBMUJFWSA-N 369.421 3.918 0 40 FHAB O=C(Cc1csc(SCC(=O)c2ccccc2)n1)NCc1ccco1 12444143 QTBGIRTUZKJVDA-UHFFFAOYSA-N 372.471 3.570 0 40 FHAB CC(C)[C@H](CNC(=O)c1cc(-c2cccnc2)nc2ccccc12)N(C)C 12540575 ILWAJFJKFLROOG-NRFANRHFSA-N 362.477 3.613 0 40 FHAB C[C@@H](NC(=O)CCNC(=O)c1ccco1)c1ccc(-c2ccccc2)cc1 12824606 CMZBBTFMNHSCMN-MRXNPFEDSA-N 362.429 3.944 0 40 FHAB O=C(COc1cc(Cl)cc(Cl)c1)c1c[nH]c(C(=O)N2CCCC2)c1 12909680 FZOBQSWDLVTSKV-UHFFFAOYSA-N 367.232 3.819 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)c2cc(-c3csc(C)n3)cn2C)c1 12915321 MUWSIPADIWXYRP-UHFFFAOYSA-N 369.446 3.804 0 40 FHAB O=C(N[C@H]1CCc2ccccc21)c1ccc(I)cc1 12945333 NBXBMDZTGCYVLU-HNNXBMFYSA-N 363.198 3.709 0 40 FHAB CC1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)CC1 12986175 AFMDMBOGAPYDSN-UHFFFAOYSA-N 362.473 3.750 0 40 FHAB C[C@@H](NCC(=O)N1c2ccccc2NC(=O)C1(C)C)c1ccc(Cl)cc1 13039946 QUDBUVCSAUXJAL-CYBMUJFWSA-N 371.868 3.755 0 40 FHAB CSc1ccc2cc(CNc3ccc(NC(C)=O)cc3)c(=O)[nH]c2c1 13561377 OLSXIFYOIBZJIJ-UHFFFAOYSA-N 353.447 3.821 0 40 FHAB Cc1nn(Cc2ccccc2Cl)c(=O)c2c1cnn2-c1ccccc1 13970595 HQRZGHFWCOEMBP-UHFFFAOYSA-N 350.809 3.592 0 40 FHAB COc1cc(CC(=O)NCc2ccc(OC(F)(F)F)cc2)ccc1C 14018530 IDRVBHIUNQFMCR-UHFFFAOYSA-N 353.340 3.761 0 40 FHAB CCC[C@H](C)NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 14085744 SUJYDBMAFYCDAE-ZDUSSCGKSA-N 370.415 3.862 0 40 FHAB CCc1ccc(-c2nc(CC(=O)Nc3nnc(CC)s3)cs2)cc1 14108954 KEVSRDUMPKGBQH-UHFFFAOYSA-N 358.492 3.968 0 40 FHAB CCc1nc2sc([C@@H](c3cccs3)N3CCC[C@@H](C)C3)c(O)n2n1 16690063 CCCRCDJWOSBCLC-BXUZGUMPSA-N 362.524 3.942 0 40 FHAB Cc1c(Br)cc2c(c1C)OC[C@@H](N1CCCC[C@H]1C)C2=O 19205187 MJIALHBFRVZOGC-MEBBXXQBSA-N 352.272 3.884 0 40 FHAB CCCN1CCc2c(sc3nc(SC)n(-c4ccccc4)c(=O)c23)C1 19707834 OCYSDKAEANCQCE-UHFFFAOYSA-N 371.531 3.937 0 40 FHAB COc1cccc(C(=O)Cn2cnc3sc4c(c3c2=O)CCCCC4)c1 19796967 BBJMZJREISTFLA-UHFFFAOYSA-N 368.458 3.618 0 40 FHAB CCOC(=O)[C@]1(Cc2ccc(Cl)c(Cl)c2)C(=O)Nc2ccccc21 20031768 DXUZFKIDNASICH-SFHVURJKSA-N 364.228 3.989 0 40 FHAB Cc1nn(-c2ncccn2)c2c1[C@H](C(=O)c1ccc(Cl)cc1)CC(O)=N2 20732101 WVZDJOKRCNEJED-CYBMUJFWSA-N 367.796 3.582 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)NCc3ccccc3Cl)CC2=O)cc1C 21450686 SNGWNBUTMWHQDE-MRXNPFEDSA-N 356.853 3.626 0 40 FHAB CC(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3cccnc3)C2)cc1 23175966 VOYJZFMLKSZJJH-IBGZPJMESA-N 374.400 3.625 0 40 FHAB COc1cc(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c(C(=O)N(C)C)cc1OC 25219580 YVARYJHNZDDSNE-RDTXWAMCSA-N 374.481 3.583 0 40 FHAB Cc1ccc(C(=O)NC[C@H](c2ccsc2)N(C)C)cc1-n1cccc1 25331826 CQWQGWIBLWTBKZ-LJQANCHMSA-N 353.491 3.880 0 40 FHAB COc1ccc(OC)c(NC(=O)CN2CCCc3cc(Cl)ccc32)c1 26339833 AQVAEVWPRLSIJI-UHFFFAOYSA-N 360.841 3.749 0 40 FHAB CCOCc1c(C(=O)Nc2ccccc2C(=O)NC)oc2ccccc12 27401523 MVGBEQGVOMTWEB-UHFFFAOYSA-N 352.390 3.581 0 40 FHAB O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCN(Cc2c(F)cccc2Cl)CC1 27931301 QEOIKPMNXGVBLM-IAGOWNOFSA-N 372.871 3.927 0 40 FHAB CCn1cc(Br)c(C(=O)Nc2nc3ccccc3s2)n1 27971400 PCMOTTFPWYCJSW-UHFFFAOYSA-N 351.229 3.528 0 40 FHAB O=C(NCc1ccc(F)cc1)c1ccc(COc2ccc3c(c2)OCO3)o1 28235097 JJGLIRMQZSLANH-UHFFFAOYSA-N 369.348 3.656 0 40 FHAB CCOc1ccc(SCC(=O)N(C)Cc2nc3ccccc3[nH]2)cc1 30658464 KPPRPEFLZWUCKJ-UHFFFAOYSA-N 355.463 3.712 0 40 FHAB Cc1nc(-c2c[nH]c(C(=O)NC[C@@H]3CCN(c4ccccc4)C3)c2)cs1 31235793 RARIMGIUWGXELG-HNNXBMFYSA-N 366.490 3.703 0 40 FHAB Cc1ccc(NC(=O)CN(C)C(=O)Cc2coc3cc(C)c(C)cc23)cc1 31405229 CNZHIEQIXHQGLK-UHFFFAOYSA-N 364.445 3.998 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)C1(c2ccc3c(c2)OCCO3)CCCC1 32841379 UQINDJCVKOTPLP-UHFFFAOYSA-N 367.401 3.637 0 40 FHAB CN(Cc1cccc(Cl)c1)C(=O)NCc1cnn(-c2ccccc2)c1 32891580 TVYRZRXAISKSIM-UHFFFAOYSA-N 354.841 3.867 0 40 FHAB Cc1cc(C(=O)CN2CCc3ccccc3C2)c(C)n1C[C@H]1CCCO1 35349153 BLBNCLFZLOGHLO-HXUWFJFHSA-N 352.478 3.525 0 40 FHAB CCCCCCNC(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(C)cc23)C1 35476059 CFARTQNPGIHAAZ-GOSISDBHSA-N 369.509 3.564 0 40 FHAB CC[C@@H](C)NC(=O)c1nnn(-c2ccccc2Cl)c1-c1cccnc1 38487944 ZTFPZOUGCOPNGD-GFCCVEGCSA-N 355.829 3.511 0 40 FHAB CC(=O)c1ccc(NC(=O)N(C)CC(=O)Nc2cccc(Cl)c2)cc1 40088353 OEOCAZJUHOWZET-UHFFFAOYSA-N 359.813 3.645 0 40 FHAB COc1cccc(CC(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)c1 40106740 TZCJLUDEFVNRIQ-UHFFFAOYSA-N 374.440 3.806 0 40 FHAB O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1ccc2c(c1)CCC(=O)N2 40133520 WWWYOQCIWNFZBY-UHFFFAOYSA-N 364.323 3.651 0 40 FHAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)NCc1cccc(Br)c1 40721482 VGIPIUCDDYCTJQ-KRWDZBQOSA-N 373.250 3.716 0 40 FHAB O=C(O)CCCn1c(/C=C/c2ccc(F)cc2F)nc2ccccc2c1=O 46102309 CLAAKDUSWATTDD-CSKARUKUSA-N 370.355 3.710 0 40 FHAB COCCOCc1cccc(NC(=O)N2CCC[C@H]2c2ccncc2)c1 47591251 FMZNYNGANPHVAC-IBGZPJMESA-N 355.438 3.614 0 40 FHAB CC(=O)N(C)c1nc(CSc2nc(-c3ccc(C)cc3)n[nH]2)cs1 52889377 KTZLRHOQRGXGCM-UHFFFAOYSA-N 359.480 3.512 0 40 FHAB COc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc(OC)c1OC 53387936 WABXTLQCJLGHQR-ZDUSSCGKSA-N 355.434 3.692 0 40 FHAB Cc1nn(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c(=O)c2ccccc12 54466632 CXIZVGZTZCTYOM-MRXNPFEDSA-N 374.444 3.683 0 40 FHAB O=C1Nc2ccccc2S[C@H]1CC(=O)N(Cc1ccsc1)C1CC1 58218188 LYOMJUAYMWXOSU-INIZCTEOSA-N 358.488 3.742 0 40 FHAB Cc1cc(SCC(=O)Nc2cc(C)on2)nc(-c2ccc(F)cc2)n1 67257112 KJTZSHVSKQVAHK-UHFFFAOYSA-N 358.398 3.618 0 40 FHAB Cc1cc(CN2CCC3(CC2)C[C@@H]3c2nnc(-c3cccc(F)c3)o2)on1 71890570 APUUJBLVLOPEBM-QGZVFWFLSA-N 368.412 3.942 0 40 FHAB COc1cccc(OC)c1[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 72221429 KLXKHFBDICFEPD-MRXNPFEDSA-N 361.463 3.538 0 40 FHAB Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 72346092 VLOKGARVBHQPPA-MRXNPFEDSA-N 368.456 3.761 0 40 FHAB COc1ccc(C)cc1C(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 75107172 RZOBAASXYCMOKL-GOSISDBHSA-N 369.852 3.873 0 40 FHAB Cc1cnc(NC(=O)[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)s1 84264920 PVFQPTCYOWIQIC-OAHLLOKOSA-N 373.478 3.925 0 40 FHAB O=C(CNc1cc(F)c(F)cc1Br)Nc1ccccc1F 89814130 ZASSZULQMCGQCG-UHFFFAOYSA-N 359.145 3.917 0 40 FHAB O=C(CCc1ccccc1OC(F)(F)F)N[C@H]1CCCCC[C@@H]1CO 95426724 MYVASNYXCCYSOK-CABCVRRESA-N 359.388 3.575 0 40 FHAB CC(C)COc1ccc(CC(=O)N2CC[C@@H](O)c3ccccc3C2)cc1 95467814 NLUQAFMAZMPXKU-OAQYLSRUSA-N 353.462 3.730 0 40 FHAB CN1C[C@H](c2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)C1=O 96100288 KSCABMGNLBJTRI-HXUWFJFHSA-N 352.453 3.664 0 40 FHAB O=C(c1cccc(F)c1)N1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 96109313 HTYSIDFCLJSRSD-NQIIRXRSSA-N 354.425 3.680 0 40 FHAB COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2Cl)c(OC)c1 98086725 VIZJPLWQTVCGOV-UHFFFAOYSA-N 357.797 3.795 0 40 FHAB COC(=O)c1cn(C(=O)c2ccc(Br)cc2)c2ccccc12 222568339 BORQIDJHLALTCC-UHFFFAOYSA-N 358.191 3.879 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2C)cc1 222584068 DZSKHGRTFAKDBI-UHFFFAOYSA-N 364.380 3.802 0 40 FHAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222710767 LTLWUIVSIQRBNV-QAPCUYQASA-N 355.434 3.801 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)NCCOc1cccc2ccccc12 223578947 BILSOMDMTRZRLX-UHFFFAOYSA-N 359.422 3.645 0 40 FHAB COc1cc([C@H](O)c2ccc3c(c2)OCC(C)(C)CO3)cc(OC)c1OC 225356792 PSYVQHZBLMODAE-LJQANCHMSA-N 374.433 3.592 0 40 FHAB CCOC1(C(=O)Nc2ccc(OCCCN(C)C)cc2)CCC(C)CC1 225720499 ZTPODGQQDQSPKV-UHFFFAOYSA-N 362.514 3.941 0 40 FHAB CCCOc1ccc(NC(=O)C2(OCCC)CCCC2)cc1C(=O)OC 225849482 NRFTUGXNBIDBLI-UHFFFAOYSA-N 363.454 3.940 0 40 FHAB O=C(NCc1ccccc1)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1c1nc(O)c2ccccc2n1 253500858 VMLGKNQIBCPOOP-XAMWDVODSA-N 371.440 3.558 0 40 FHAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccn2C[C@H]2CCCO2)S1 260758893 DQVOFCNTHZRMDZ-OHDICMOHSA-N 368.506 3.651 0 40 FHAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc3c(c2)OCCO3)cc1 408626324 GMQJIJJSLVFOSZ-UHFFFAOYSA-N 370.474 3.882 0 40 FHAB C[C@H](CNC(=O)C(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 408708868 MNBXLURPGHULKP-GFCCVEGCSA-N 350.340 3.564 0 40 FHAB O=C(C[C@H](c1ccsc1)n1cccc1)NC[C@@H]1CCCN2CCCC[C@H]12 524731420 XGRSIXZOTWQRMI-DFQSSKMNSA-N 371.550 3.910 0 40 FHAB biogenic O=C(c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H](Oc2ccncc2)C1 575611958 HKDTZSIWELSFIE-MRXNPFEDSA-N 366.339 3.664 0 40 FHAB Cc1cc(Br)cn2c(CNC3CC(C(F)(F)F)C3)cnc12 584136036 IIEZYYGBOVQQCY-UHFFFAOYSA-N 362.193 3.836 0 40 FHAB CC(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)CC2CCCCC2)CC1 584906633 AXOULIHRYNECPZ-QFIPXVFZSA-N 370.537 3.943 0 40 FHAB Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@]2(CCN2C[C@@H]2CCCO2)C1 585102216 ULWIPTDSVMSXMI-JTSKRJEESA-N 374.525 3.745 0 40 FHAB COc1ccc2c(c1)OC[C@H](NC(=O)N1CCC[C@@H]1c1ccsc1)C2 678116632 IPNIQYWLJZSXJF-NVXWUHKLSA-N 358.463 3.607 0 40 FHAB Cc1cc(NC(=O)c2nc(C3(c4ccc(F)cc4F)CCCC3)no2)no1 685398621 SAUCUUKTBKBUHD-UHFFFAOYSA-N 374.347 3.757 0 40 FHAB CSc1ncccc1C(=O)NC[C@@H](O)c1ccc(-c2cccs2)cc1 1775976548 BGXZZYHSJFKPGS-MRXNPFEDSA-N 370.499 3.995 0 40 FHAB CN(c1ccccn1)C1CCN(c2cnc3cc(Cl)ccc3n2)CC1 1889186291 DDFGUQCYAVZNNV-UHFFFAOYSA-N 353.857 3.783 0 40 FHAB O=C(Nc1cccnc1)C1(Nc2ccccc2)CCN(CC2CCC2)CC1 2055759359 PDHYERAOWMFGFY-UHFFFAOYSA-N 364.493 3.767 0 40 FHAB Cc1ccc(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)s1 3265807 OQUSFBFYLZRQPM-UHFFFAOYSA-N 357.475 3.695 0 40 FHAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2cccc(Cl)c2)NC(=O)N1 862549 LITGHWFRVBHBAX-KRWDZBQOSA-N 355.825 3.915 0 40 FHAB O=C(Nc1ccc2nc(C3CC3)n(Cc3ccccc3)c(=O)c2c1)C1CC1 1363073 ZEHPKNYJMXGALT-UHFFFAOYSA-N 359.429 3.671 0 40 FHAB C[C@H](NCC1(c2ccccc2)CC1)[C@@H](c1ccccc1)N1CCOCC1 79015263 LBNOIYPUMFXBDE-UGKGYDQZSA-N 350.506 3.770 0 40 FHAB O=C(CCc1nc(-c2ccco2)no1)N1CCC[C@H]1Cc1ccc(F)cc1 79253455 YZCUJGXIMBAGLB-INIZCTEOSA-N 369.396 3.635 0 40 FHAB Cc1ccccc1OCC(=O)N(C)Cc1nc2ccccc2n1C(F)F 23880478 KQQVYWKDUADJSP-UHFFFAOYSA-N 359.376 3.777 0 40 FHAB COc1ccccc1-c1nc2c3c4c(sc3ncn2n1)COC(C)(C)C4 2204683 PWTXIJKYRDPPIL-UHFFFAOYSA-N 366.446 3.866 0 40 FHAB COc1ccc(C(=O)CSc2nnc(C)n2-c2ccccc2)c(OC)c1 3409819 JRNGNAZHLVVNOZ-UHFFFAOYSA-N 369.446 3.568 0 40 FHAB COc1ccc(-c2noc(CCC(=O)NCCC3=CCCCC3)n2)cc1 4933042 DKVWDMOXSHKIBT-UHFFFAOYSA-N 355.438 3.685 0 40 FHAB C[C@@H]1OC2(C[C@@H](OCc3ccccc3)[C@@H]1OCc1ccccc1)OCCO2 6004886 CYNNHJZSXYWLJA-IOMROCGXSA-N 370.445 3.667 0 40 FHAB Cc1noc(C)c1S(=O)(=O)NCCC(c1ccccc1)c1ccccc1 6582179 ZEJQXEMBIQBFGW-UHFFFAOYSA-N 370.474 3.792 0 40 FHAB O=C([C@H](Sc1nc2ccccc2s1)c1ccccc1)N1CCOCC1 6840825 CHEWMXJMLYJLML-QGZVFWFLSA-N 370.499 3.989 0 40 FHAB CCOc1ccc2nc(SCc3nc4ccsc4c(=O)[nH]3)[nH]c2c1 7986939 WQOOBMLDKYVMKN-UHFFFAOYSA-N 358.448 3.552 0 40 FHAB COc1ccc(C)cc1NC(=O)CCc1nc(-c2ccc(F)cc2)no1 8075838 IRPSHSSMTAJZPA-UHFFFAOYSA-N 355.369 3.764 0 40 FHAB CCCNC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(C)c(C)c2)n1 8476987 XHQRQTOYRDWGND-UHFFFAOYSA-N 352.413 3.830 0 40 FHAB COc1cc(NC(=O)c2cccc3c2O[C@H](C)[C@@H]3C)cc(OC)c1OC 12745688 REEBTEWIEIUBAT-NWDGAFQWSA-N 357.406 3.849 0 40 FHAB COc1ccc(Nc2n[nH]nc2C(=O)Nc2ccc(C)c(Cl)c2)cc1 57510669 SVSZTABOZUCVNF-UHFFFAOYSA-N 357.801 3.771 0 40 FHAB Cc1cc2oc(=O)cc(Cn3ncc(Cl)c(Cl)c3=O)c2cc1Cl 3358235 UMHWLKJFKVMLSH-UHFFFAOYSA-N 371.607 3.667 0 40 FHAB O=C(C[C@H]1C=CCC1)Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 27597415 OZNXVJBGZACOQT-AWEZNQCLSA-N 364.401 3.962 0 40 FHAB CCN(CCC(F)(F)F)C(=O)NCc1ccc(N2CCCCC2=O)cc1 58264510 KZOIJQRIQDIXMO-UHFFFAOYSA-N 371.403 3.687 0 40 FHAB COCc1cccc(C(=O)NCCc2ccc(Br)s2)c1 22225916 GCCJICAFCACOAI-UHFFFAOYSA-N 354.269 3.630 0 40 FHAB O=c1/c(=C/c2ccccc2Cl)sc2nnc(-c3ccc(Cl)cc3)n12 27904992 DBADSSITJDZZCV-ZROIWOOFSA-N 374.252 3.673 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(Br)c[nH]1 58442535 MUVJPNOZUOQFFZ-UHFFFAOYSA-N 359.227 3.832 0 40 FHAB COc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2F)c(C)c1 57472075 XLVJWWYAJZNOLU-UHFFFAOYSA-N 351.761 3.592 0 40 FHAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCCC3)cc2)cc1 3534163 VFJWXGJVBJFOCJ-UHFFFAOYSA-N 374.462 3.625 0 40 FHAB Cc1ccc(NC(=O)Cn2nc(-c3ccc(C)c(C)c3)ccc2=O)cc1C 57427552 RZYXMNDXFPGMBO-UHFFFAOYSA-N 361.445 3.783 0 40 FHAB Cc1c(C(=O)N2CCCC[C@H]2C)cnn1-c1ccc(Br)cc1 12949352 CBPYHNXWACNKRU-GFCCVEGCSA-N 362.271 3.958 0 40 FHAB CN(C)[C@@H](CNC(=O)[C@H]1Cc2ccccc2S1)c1ccccc1Cl 12912298 OWOVCNJNTDJAQH-FUHWJXTLSA-N 360.910 3.776 0 40 FHAB O=C(CSc1ncnc2c1cnn2Cc1ccccc1)c1ccccc1 2446772 UDMIGHIEJRSRCV-UHFFFAOYSA-N 360.442 3.850 0 40 FHAB O=C(NCc1ccc(F)cc1)c1nn(-c2ccc(F)cc2)c2c1CCC2 11470885 RYJIHOPUHUZZIY-UHFFFAOYSA-N 353.372 3.569 0 40 FHAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(Br)o1 20139773 BQIKNYIKUXBWGA-UHFFFAOYSA-N 374.574 3.655 0 40 FHAB O=C(Cc1cc2ccccc2[nH]c1=O)Nc1ccc2oc(C3CC3)nc2c1 47090912 ZKKQLAVKMLUNJG-UHFFFAOYSA-N 359.385 3.728 0 40 FHAB Cc1ccc2cc(CN(Cc3ccco3)C(=O)c3ccncc3)c(=O)[nH]c2c1 9233962 SSMFFQZWHXMJPY-UHFFFAOYSA-N 373.412 3.667 0 40 FHAB CSc1nsc(SCC(=O)Nc2nc3c(C)cccc3s2)n1 5059834 HABUJQBCDGNLFC-UHFFFAOYSA-N 368.534 3.909 0 40 FHAB O=C(COC(=O)/C=C/c1nc2ccccc2s1)Nc1cccnc1Cl 6165640 NDZWHFBDGVTBFE-BQYQJAHWSA-N 373.821 3.540 0 40 FHAB CC(C)Nc1nnc(S[C@@H](C)C(=O)Nc2cc(F)ccc2F)s1 14075271 AHCFHHHVYDOVJP-QMMMGPOBSA-N 358.439 3.756 0 40 FHAB CN(Cc1ccco1)C(=O)c1oc2ccccc2c1CSc1nnc[nH]1 14016617 MQPRUNVEBLUEGX-UHFFFAOYSA-N 368.418 3.708 0 40 FHAB Cn1cccc1-c1csc(NC(=O)C2=NO[C@H](c3ccccc3)C2)n1 65637344 VQEBEOGMEVYAEH-INIZCTEOSA-N 352.419 3.605 0 40 FHAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c1C 14210736 OBHVKBLWFSTOEV-HNNXBMFYSA-N 361.463 3.688 0 40 FHAB CN(C)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1F 65852141 VAESNNOQFSVWNO-RTBURBONSA-N 360.404 3.681 0 40 FHAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(OC)c2ncccc12 65871080 IMNJXHKOQPTJPQ-UHFFFAOYSA-N 373.412 3.699 0 40 FHAB C[C@H]1c2cc3c(cc2CCN1C(=O)c1ccc(F)cc1F)OCCCO3 6661758 YAIGLJXNAPMLQJ-LBPRGKRZSA-N 359.372 3.886 0 40 FHAB CSc1cccc(NC(=O)[C@@H](NC(=O)c2ccccc2F)C(C)C)c1 6778841 AOCSFZBWTXVELC-KRWDZBQOSA-N 360.454 3.941 0 40 FHAB Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)N2CCCCCC2)cc1 6784420 QWYVCLZOFADHKF-OAQYLSRUSA-N 372.534 3.891 0 40 FHAB Cc1ccc(-c2ccsc2C(=O)OCC(=O)Nc2cc(C)on2)cc1 6850370 AESKYEQNIXQJEJ-UHFFFAOYSA-N 356.403 3.815 0 40 FHAB CCOc1cc2c(cc1/C=C/C(=O)Nc1cccnc1N(C)C)O[C@@H](C)C2 84805191 VOMRHCNHWCZKIT-VFNNOXKTSA-N 367.449 3.522 0 40 FHAB C[C@@H]1CCc2c(C(=O)Nc3ccccc3N3CCOCC3)csc2C1 7814448 SDVNGTRRZLNDCM-CQSZACIVSA-N 356.491 3.962 0 40 FHAB O=C(CCc1nc(-c2ccccc2)no1)Nc1nc2ccccc2s1 8061984 MEHKYRLRYHHXPM-UHFFFAOYSA-N 350.403 3.918 0 40 FHAB CC(=O)N[C@H]1C(=O)N(Cc2ccccc2OC(C)C)c2c(Cl)cccc21 8048089 MGVFIONERKXWHS-GOSISDBHSA-N 372.852 3.851 0 40 FHAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@H]1COc2ccccc2C1 8156253 JVMUAGWVQZZRGI-OAHLLOKOSA-N 351.402 3.918 0 40 FHAB Cc1cc(C)n(-c2ccccc2NC(=O)N(C[C@@H]2CCOC2)C2CC2)n1 71850109 RRBHMVVYSZFJAW-INIZCTEOSA-N 354.454 3.522 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)c2cc(F)ccc2Br)c1 8249325 NVHRRVLYNMXXFE-UHFFFAOYSA-N 366.186 3.936 0 40 FHAB CNC(=O)c1cccc(CSc2nnc(Nc3ccccc3)s2)c1 83882338 UGDMLQACPMKIRT-UHFFFAOYSA-N 356.476 3.934 0 40 FHAB Cc1ccc(C2=NN=C(NCc3ccc4c(c3)OCO4)SC2)cc1C 9690020 ZFGSLCFODXYCCV-UHFFFAOYSA-N 353.447 3.629 0 40 FHAB Cc1cc(C)c(S(=O)(=O)NCCOc2ccc(Cl)cc2)c(C)c1 223853881 PLFHUAKNRGDODL-UHFFFAOYSA-N 353.871 3.623 0 40 FHAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccccc2-c2nnnn2C2CC2)C1(C)C 74070456 SZXYHHVVZIDZOH-NVXWUHKLSA-N 351.454 3.852 0 40 FHAB CC(C)Nc1nnc(S[C@@H](C)C(=O)Nc2ccc(F)cc2F)s1 9050857 XULVMMOXPKZGPG-QMMMGPOBSA-N 358.439 3.756 0 40 FHAB CC[C@H](C)[C@H](NC(=O)c1ccc(-n2ccnn2)cc1)c1nc2ccccc2[nH]1 89942223 VCBIFZYMRPESQV-LIRRHRJNSA-N 374.448 3.661 0 40 FHAB CCC(CC)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 68935562 YBTOKASMOJHQDD-UHFFFAOYSA-N 360.479 3.714 0 40 FHAB COc1ccc(SCC(=O)NCc2ccc(-n3ccnc3C)cc2)cc1 20452795 FQGIRCKSCALURY-UHFFFAOYSA-N 367.474 3.598 0 40 FHAB CCOc1ccc(C(=O)NCc2ccc(CN3CCCC3)cc2)cc1C 224516925 SETPCMSNISULOK-UHFFFAOYSA-N 352.478 3.920 0 40 FHAB COCCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1 225572163 VZJKDXGMHQWSFI-UHFFFAOYSA-N 373.424 3.538 0 40 FHAB O=C(O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C1=O 409133261 PPNIHVXMISGRAN-NTUHNPAUSA-N 363.778 3.721 0 40 FHAB CCc1ccc2c(COC(=O)c3ccc(C(C)=O)s3)cc(=O)oc2c1 32776792 HMMMSUCCUMLMTA-UHFFFAOYSA-N 356.399 3.977 0 40 FHAB NC1=Nc2nc3ccccc3n2[C@H](c2ccccc2Oc2ccccc2)N1 5317955 OEAXNDHELDLRRI-LJQANCHMSA-N 355.401 3.925 0 40 FHAB O=C(c1ccccc1)c1ccc(OCc2nc(-c3ccccn3)no2)cc1 74120723 JLHKDXCLQSDGGB-UHFFFAOYSA-N 357.369 3.942 0 40 FHAB COCCN(C(=O)c1ccccc1Cl)c1nnc(-c2cccnc2)s1 35310918 PJPQLLNNBWPTNV-UHFFFAOYSA-N 374.853 3.547 0 40 FHAB Cc1ccccc1-c1cncc(C2CCN(C(=O)c3c[nH]nc3C)CC2)n1 72359683 VTRNPQHJJLTPOR-UHFFFAOYSA-N 361.449 3.503 0 40 FHAB c1ccc(CNc2nc3ccccc3c3nc(-c4ccncc4)nn23)cc1 6805457 HASVQELPAMJMJJ-UHFFFAOYSA-N 352.401 3.952 0 40 FHAB NC(=O)c1cc(NC(=O)c2ccc(Br)cc2F)ccc1Cl 32769491 WTFZAYHYXIDJOI-UHFFFAOYSA-N 371.593 3.593 0 40 FHAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCCc1ccc(OC)c(OC)c1 219317004 RNQKJCNRXKEEAC-LJQANCHMSA-N 371.477 3.919 0 40 FHAB C[C@H]1CCCN(Cc2ccccc2CNC(=O)c2cccnc2S)C1 40112279 YXNZZADBJCODRF-HNNXBMFYSA-N 355.507 3.532 0 40 FHAB O=C(NCc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 42646006 ZBNATRAGIWVDFB-UHFFFAOYSA-N 357.624 3.902 0 40 FHAB Cc1cc(N2CCc3ccccc3C2)nc(NC(=S)NC2CCCC2)n1 226006775 ITYUUIKCBKNQQQ-UHFFFAOYSA-N 367.522 3.577 0 40 FHAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 223667602 AGTULMVCVBPWCZ-UHFFFAOYSA-N 374.462 3.549 0 40 FHAB CC[C@@H](NC(=S)Nc1ccc(OC)nc1)c1ccc(OC)c(OC)c1 225721691 GNIDKRHRAGEWOJ-CQSZACIVSA-N 361.467 3.545 0 40 FHAB COc1ccc(CCCNC(=O)c2ccc(CN3CCCC3)cc2)cc1 44907112 BYRXOWOGPIOFCA-UHFFFAOYSA-N 352.478 3.654 0 40 FHAB C[C@@H](c1noc([C@H]2COCCN2C2CCCC2)n1)c1c(F)cccc1F 574556362 QJBSBEFIWFYLQL-MLGOLLRUSA-N 363.408 3.816 0 40 FHAB CCC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)C 224845844 WFQFACXQMYYAII-OAQYLSRUSA-N 366.505 3.870 0 40 FHAB Cc1ccc(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)nc1 225833947 VXCRIYJBWGCSNM-UHFFFAOYSA-N 359.842 3.580 0 40 FHAB C[C@@H]1C[C@@H](C)CN(C(=O)CCCN2C(=O)CC(C)(C)c3ccccc32)C1 96184042 JAPFTAWHPGSISP-IAGOWNOFSA-N 356.510 3.986 0 40 FHAB CCOc1cc([C@@H](N)c2n[nH]c(-c3ccc(Cl)cc3)n2)ccc1OC 95534383 LRUIWAFSKAKAEM-MRXNPFEDSA-N 358.829 3.581 0 40 FHAB CN(C)CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257297410 RHDMOWRKEJMYBG-QGZVFWFLSA-N 361.873 3.534 0 40 FHAB COCc1ccccc1CNC(=O)NCc1coc(-c2cccs2)n1 26390180 OIFWURIKKMPRHK-UHFFFAOYSA-N 357.435 3.549 0 40 FHAB CO[C@H]1CCN(Cc2ccc(C(=O)O)cc2)C[C@H]1Cc1ccccc1F 585277095 SIXYXEQEWHQUJM-QUCCMNQESA-N 357.425 3.604 0 40 FHAB O=C(NC1=NCCS1)c1cc2ccccc2n1Cc1ccccc1F 44260357 AYPVIFWBWLLMJP-UHFFFAOYSA-N 353.422 3.661 0 40 FHAB CC1(C)CCN(C(=O)Nc2ccc(Oc3cccnc3)cc2)CC[S@]1=O 571045402 HIGGEIDQLTUWEH-AREMUKBSSA-N 373.478 3.639 0 40 FHAB COc1ccc(-c2nsc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)n2)cc1 1537377175 UZBBLYQQLZQFPD-CVEARBPZSA-N 351.431 3.956 0 40 FHAB Cc1nn(-c2ccccc2)c2c1[C@H]1C(=C(N)S2)C(=O)Oc2ccccc21 5490378 SQWISFKKIGBKJV-INIZCTEOSA-N 361.426 3.508 0 40 FHAB COc1ccc(C)cc1S(=O)(=O)Nc1nc2ccc(F)cc2s1 11615526 BHMKLPNTZHUQTJ-UHFFFAOYSA-N 352.412 3.553 0 40 FHAB Cc1ccc2c(CN(C)[C@H](C)c3ccc(-n4cncn4)cc3)cc(=O)oc2c1 17306040 SIDDJHZQIBQDIW-MRXNPFEDSA-N 374.444 3.875 0 40 FHAB CC[C@@H](NC(=O)c1ccc(-n2cnnc2)cc1Cl)c1ccc(F)cc1 12148563 YACTWALMFYHPCF-QGZVFWFLSA-N 358.804 3.941 0 40 FHAB COc1ccc2cnc([C@@H]3CCCN(C(=O)c4cc(C)no4)C3)cc2c1C 12187956 XTINWRAVNAQFHT-MRXNPFEDSA-N 365.433 3.868 0 40 FHAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC(C)C)cc1OC 13015499 QCDDKAFEJMDTCW-UHFFFAOYSA-N 365.433 3.695 0 40 FHAB COCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccc(C)cc1C 13479853 RAGFTUOLRHPOJL-UHFFFAOYSA-N 364.445 3.633 0 40 FHAB O=C(NCCN(Cc1ccccn1)Cc1cccs1)c1cccs1 13991080 ZYHBQXARHZFQDG-UHFFFAOYSA-N 357.504 3.637 0 40 FHAB CC(=O)Nc1ccc(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 13993972 KVEZMONWOHMJJR-OAQYLSRUSA-N 356.441 3.965 0 40 FHAB Cc1nn(C)c(C)c1NC(=O)CN(Cc1ccccc1F)C1CCCC1 19715542 NERBQLYELYYVGJ-UHFFFAOYSA-N 358.461 3.559 0 40 FHAB Cc1cc(C)c(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c(C)c1 14426315 VXOUOMSUEQINLJ-LJQANCHMSA-N 350.462 3.642 0 40 FHAB CCc1ccc(-c2n[nH]c(SCCS(=O)(=O)c3ccccc3)n2)cc1 11387489 AGIILDPWIBQJRO-UHFFFAOYSA-N 373.503 3.600 0 40 FHAB O=c1cccc2n1C[C@H]1C[C@H]2CN(c2ncc(C(F)(F)F)cc2Cl)C1 1888863637 FYLWDGUTCQFNCX-QWRGUYRKSA-N 369.774 3.539 0 40 FHAB Cc1cc(C(=O)N2CCC(c3ccc4cc(Cl)cnc4n3)CC2)no1 1888891050 HGORMXAYFCQMHE-UHFFFAOYSA-N 356.813 3.599 0 40 FHAB COc1cccc(-c2cc3c(=O)n(Cc4cc(C)ccc4C)ccn3n2)c1 1889122721 OWNRBLVJIMRQQC-UHFFFAOYSA-N 359.429 3.837 0 40 FHAB NC(=O)N[C@H](CC(=O)Nc1ccc2c(c1)-c1ccccc1C2)c1ccccc1 14523209 IHLJKSUEGDVIMB-OAQYLSRUSA-N 371.440 3.996 0 40 FHAB Cc1ccc(NC(=O)CCCn2nc(-c3cccs3)ccc2=O)cc1F 13698611 UGXQMPYXPAZXSD-UHFFFAOYSA-N 371.437 3.838 0 40 FHAB COc1ccc(OC)c2sc(NC(=O)Nc3ccc4c(c3)OCO4)nc12 36709368 GYAVOOMYDXVUIB-UHFFFAOYSA-N 373.390 3.686 0 40 FHAB CCCCc1nnc(SCCCOc2ccc(C(=O)O)cc2)n1CC 8731781 ICOWBPVKKBBONE-UHFFFAOYSA-N 363.483 3.900 0 40 FHAB COc1ccc2nc(S[C@@H](C)C(=O)Nc3ccc(F)cc3F)[nH]c2c1 7096465 RNXFRIOTBVDZOT-VIFPVBQESA-N 363.389 3.969 0 40 FHAB Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nnc(C)o2)c1 7787333 ITAJWUCFFUPLEA-UHFFFAOYSA-N 359.389 3.791 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)n1c(C)nc2ccccc2c1=O 30579066 HIFIVFDLIKQPCI-NSHDSACASA-N 371.824 3.567 0 40 FHAB Cc1ccc2nc(C)c(C(=O)NCc3ccc(N4CCCC4)nc3)cc2c1 31315893 SMCJZASOBAIESO-UHFFFAOYSA-N 360.461 3.777 0 40 FHAB O=C1O/C(=C\NNc2ncc(C(F)(F)F)cc2Cl)c2ccccc21 100916582 OJSQGDIRWWHNCR-GHXNOFRVSA-N 355.703 3.839 0 40 FHAB O=C(O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c2ccccc12 32601564 AXKTYNROMLHFFS-UHFFFAOYSA-N 361.806 3.992 0 40 FHAB COc1ccc(C(=O)COC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1 102167585 URASPDQZHILYTA-RCRDTURJSA-N 362.853 3.999 0 40 FHAB CC(C)c1cc(C(=O)NCCc2nnc3ccccn23)c(O)c(C(C)C)c1 32741364 FTXMVEKUVHOFCW-UHFFFAOYSA-N 366.465 3.654 0 40 FHAB COc1ccc(CNC(=O)N[C@@H]2CCSc3ccccc32)cc1OC 32794757 RLINTZVCCZCVOI-OAHLLOKOSA-N 358.463 3.740 0 40 FHAB Cc1cc(O[C@@H](C)C(=O)Nc2sc(C)c(C)c2C(N)=O)ccc1Cl 879610 GYPLIRLAQQSSKO-JTQLQIEISA-N 366.870 3.832 0 40 FHAB C[C@H]1CN(Cc2ccccc2NC(=O)N(C)Cc2ccco2)C[C@@H](C)O1 47569483 CDTABBDMUZXIPL-IYBDPMFKSA-N 357.454 3.553 0 40 FHAB CCOC(=O)N[C@@H](C(Cl)(Cl)Cl)P(=O)(OCC)OCC 3012943 PWSSTCDJGVSMCG-SSDOTTSWSA-N 356.570 3.695 0 40 FHAB CCOc1ccc(NC(=O)c2cccc(I)c2)cc1 3483030 KYVCLAUQGIFKJA-UHFFFAOYSA-N 367.186 3.942 0 40 FHAB Cc1ncsc1C(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 54885764 UQLKNSLQJDHNPE-LBPRGKRZSA-N 359.476 3.887 0 40 FHAB Cc1cc(C)nc(NC(=O)COc2ccc(Br)cc2Cl)n1 4749560 UWECLBRUVPWGLP-UHFFFAOYSA-N 370.634 3.527 0 40 FHAB COCCN(C(=O)Cc1cccs1)c1nnc(-c2ccc(C)cc2)s1 4880573 XPWMDPYMGNMVRE-UHFFFAOYSA-N 373.503 3.797 0 40 FHAB S=C(NC[C@H]1CCCO1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 6210586 QAEUTMWFGIFNJU-OAHLLOKOSA-N 352.463 3.695 0 40 FHAB Cc1ccc(CSc2nc3nccnc3c(=O)n2Cc2ccccc2)cc1 6818536 RPWLRMXNEMCUDU-UHFFFAOYSA-N 374.469 3.836 0 40 FHAB CCOc1cc(CNCc2ccccn2)cc(Br)c1OCC 6870224 OWAVPYPPDOJNIX-UHFFFAOYSA-N 365.271 3.931 0 40 FHAB CCc1ccc(-n2c(C)nnc2SCC(=O)N2CCCC[C@@H]2C)cc1 6943809 OZKKHBLCXNKIEZ-AWEZNQCLSA-N 358.511 3.631 0 40 FHAB CCCCCC(=O)Nc1ccc(N2CCN(C(=O)CC(C)C)CC2)cc1 7388160 CLPCQYLUPRPLGT-UHFFFAOYSA-N 359.514 3.900 0 40 FHAB Cc1ccc(CSc2nc3c(c(N4CCOCC4)n2)CCCC3)cc1 1393059 CGJLFFZPUNMVQN-UHFFFAOYSA-N 355.507 3.793 0 40 FHAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nnc(NC3CCCCC3)s2)C1 25389609 XDJMWVOGNXPGTH-BETUJISGSA-N 368.572 3.879 0 40 FHAB O=C(CN1CCC[C@H]1c1ccc(F)cc1)NCCc1c[nH]c2ccccc12 25444763 CZHPTKKMMAHUFH-NRFANRHFSA-N 365.452 3.803 0 40 FHAB O=C(c1cc2ccccc2cc1O)N1CCN(c2ccccc2F)CC1 12606365 JNMXESHQXRRZFW-UHFFFAOYSA-N 350.393 3.647 0 40 FHAB CC(C)c1nnc(SCCCS(=O)(=O)c2ccccc2)n1C1CC1 48188988 DEMAJLGVSVIALF-UHFFFAOYSA-N 365.524 3.693 0 40 FHAB O=C(Nc1ccc(OCC(F)(F)F)nc1)N1CCc2ccccc2C1 48200210 BJUFAYFFDLLERX-UHFFFAOYSA-N 351.328 3.613 0 40 FHAB COc1cccc(CC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c1 12773663 PHTUCTIJIHPZRI-NRFANRHFSA-N 355.434 3.522 0 40 FHAB CC(C)CC[C@@H](C(=O)O)[C@@H](C)CC(=O)Nc1ccn(-c2ccccc2)n1 2062086 VHLWRSHMNSBDCC-DOTOQJQBSA-N 357.454 3.974 0 40 FHAB COc1c(C)cc(Br)cc1C(=O)Nc1cccc(C(=O)O)c1 20143074 XQIHEKQBYFXRQF-UHFFFAOYSA-N 364.195 3.717 0 40 FHAB O=C(NCc1ccccc1Cn1cccn1)c1ccccc1Br 10234883 KCQCYGXUTDRETO-UHFFFAOYSA-N 370.250 3.624 0 40 FHAB CCCC(=O)NC[C@H]1CCCN(C(=O)c2oc3ccc(OC)cc3c2C)C1 58218580 MTYBQZXNPHKBEW-OAHLLOKOSA-N 372.465 3.518 0 40 FHAB COc1ccc(CC(=O)N[C@@H]2CCCc3c2cnn3C(C)(C)C)cc1F 58227263 GSNFCASQRWEALT-MRXNPFEDSA-N 359.445 3.522 0 40 FHAB CCCOc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1C 27823035 BAXQRGBQTNYNKJ-UHFFFAOYSA-N 358.463 3.987 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)N1CCCC1 58102554 GRNACXTXOCMOTC-UHFFFAOYSA-N 358.825 3.837 0 40 FHAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC(C)(C)C)CC1 100750061 RUDPRGHXIJXQQJ-QKLQHJQFSA-N 359.514 3.618 0 40 FHAB O=C(CSc1nncn1C1CC1)Nc1ccc(OC(F)F)c(Cl)c1 10648790 DRWUNEBMYLEYQC-UHFFFAOYSA-N 374.800 3.599 0 40 FHAB Cc1c(Cl)cnc(NC(=O)COC(=O)c2cccnc2Cl)c1Cl 3396888 HFLALHKMJPZOMU-UHFFFAOYSA-N 374.611 3.541 0 40 FHAB O=C(NCc1cccnc1OC1CCCC1)[C@H]1CSc2ccccc2O1 95392999 AWHDJZVNAGAWTO-QGZVFWFLSA-N 370.474 3.573 0 40 FHAB C[C@H](NC(=O)C1CCCC1)c1cc2c(cc1Br)OCCO2 48345830 JAVSWZFPWCLBBV-JTQLQIEISA-N 354.244 3.588 0 40 FHAB O=C(NC[C@@H]1Cc2ccccc2O1)N1CCC(Cc2ccccc2)CC1 28404267 PUXYBUKSJWJJPD-FQEVSTJZSA-N 350.462 3.654 0 40 FHAB Cc1noc(C)c1CC(=O)NCc1ccccc1CN1C[C@@H](C)C[C@@H](C)C1 48332099 WHLAJYPFXDKOHZ-IYBDPMFKSA-N 369.509 3.628 0 40 FHAB O=C(NC1CC1)[C@@H](NCCCCOc1ccc(F)cc1)c1ccc(F)cc1 12855031 ZXOKBIHOVBAVQN-FQEVSTJZSA-N 374.431 3.733 0 40 FHAB CCSc1nc(NCCCO)c2c3c(sc2n1)CO[C@](C)(CC)C3 2415778 NSSSEGUHXVLWBO-QGZVFWFLSA-N 367.540 3.839 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NC(C)(C)C)ccc2C)cc1 10314513 JMQRFTAFSVLCDT-UHFFFAOYSA-N 360.479 3.633 0 40 FHAB O=C(OCc1cc(Cl)c2c(c1)OCO2)c1cc(O)nc2ccccc12 10491649 FGHKBFJJEUGVKP-UHFFFAOYSA-N 357.749 3.680 0 40 FHAB Cc1cc(NC(=O)CN[C@H](C)c2ccc(F)cc2F)n(-c2ccccc2)n1 12874880 CQWOYFOVVQBZRC-CQSZACIVSA-N 370.403 3.748 0 40 FHAB CC(=O)c1ccccc1NC(=O)CNc1cc2c(cc1Cl)OCCCO2 29936668 CWSAXHQHIOVVPM-UHFFFAOYSA-N 374.824 3.755 0 40 FHAB CNC(=O)COC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12 2632213 IFVJDHCEEFAWDA-UHFFFAOYSA-N 370.408 3.958 0 40 FHAB CC(=O)N[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 3560933 SBFGYRKKWVXCBY-MRXNPFEDSA-N 366.339 3.791 0 40 FHAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cc1ccc(Cl)cc1Cl 3563546 JTGQERRXXHDFBQ-GOSISDBHSA-N 361.228 3.887 0 40 FHAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2)C1=O 3563689 JTRDBCQNTUJXKY-IBGZPJMESA-N 374.799 3.519 0 40 FHAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2ncsc2c1 12389051 NWONABCYNMVSLE-UHFFFAOYSA-N 351.475 3.691 0 40 FHAB O=C(Nc1ccc(F)cc1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12972447 OREFWMUCMHWXBM-NAVXVDNBSA-N 370.468 3.972 0 40 FHAB O=C(NCc1ccccc1)C1CCN(c2ncc(Cl)cc2Cl)CC1 13008300 DWNNERIPNJHYSS-UHFFFAOYSA-N 364.276 3.921 0 40 FHAB CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1cccc(OC)c1 9280960 JUDCWPGKLFEICP-UHFFFAOYSA-N 350.418 3.507 0 40 FHAB CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 4176862 YVRKFABVYMHXHY-UHFFFAOYSA-N 358.463 3.767 0 40 FHAB COc1ccc(-c2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)cc1OC 9216363 OUYMXXXKITVUTN-UHFFFAOYSA-N 363.373 3.571 0 40 FHAB Cc1nnc([C@@H]2Cc3ccccc3CN2CCOc2ccc(F)cc2)o1 65517651 IVYYIUQHZGNZTO-IBGZPJMESA-N 353.397 3.696 0 40 FHAB CCN(C(=O)CSc1nnc(-c2ccco2)n1CC)C1=CCCCC1 6589757 NVLWTTVUPQLRNR-UHFFFAOYSA-N 360.483 3.957 0 40 FHAB O=C1N/C(=C\c2ccsc2)C(=O)N1Cc1ccc(Br)cc1 4702356 NNDJYEGIUHJNEW-QPEQYQDCSA-N 363.236 3.604 0 40 FHAB Cc1ccc(C(=O)[C@H](Sc2nc(N)cc(N)n2)c2ccc(C)cc2)cc1 4894063 ZBZDLVAENUGRIB-LJQANCHMSA-N 364.474 3.974 0 40 FHAB Cc1nc(C(=O)Nc2ccc(F)c(F)c2F)nn1-c1ccc(Cl)cc1 15191239 QOHWXCZOIXKJSF-UHFFFAOYSA-N 366.730 3.899 0 40 FHAB COc1ccc(C2=CCN([C@H](C)C(=O)N(C)Cc3cccc(F)c3)C2)cc1 95456012 MUSKQIRNUYAENK-MRXNPFEDSA-N 368.452 3.580 0 40 FHAB COc1cccc([C@H](NC(=O)Cc2ccc(Cl)cc2)c2nccn2C)c1 9466605 BLIVKWTUNRXWDE-IBGZPJMESA-N 369.852 3.530 0 40 FHAB C[C@@H](Sc1nnc(-c2ccccc2F)o1)c1nc2ccccc2c(=O)[nH]1 5982371 CJVRNWIQPZPLDB-SNVBAGLBSA-N 368.393 3.966 0 40 FHAB O=C(CCc1nc(-c2ccccc2)no1)OCc1cc(-c2ccco2)on1 7087463 FVPZKEKIYOXNFD-UHFFFAOYSA-N 365.345 3.661 0 40 FHAB Cc1ccc(-c2nc(Cn3nnc(-c4ccc(F)cc4)n3)cs2)cc1 7006620 SSYYIFDRPAPPMT-UHFFFAOYSA-N 351.410 3.959 0 40 FHAB O=C(COC(=O)Cc1ccc(F)cc1)Nc1ccccc1C(F)(F)F 7514917 PQQLVZDWUGXUHX-UHFFFAOYSA-N 355.287 3.569 0 40 FHAB C[C@H](NC(=O)[C@H](C)N(C)CCOc1cccc(Cl)c1)c1ccccc1 16421810 RAHNBVHFJRJVJM-HOTGVXAUSA-N 360.885 3.917 0 40 FHAB COc1ccc(O[C@H](C)C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1 8160941 KKZSASAAFNHRIB-QRWLVFNGSA-N 371.433 3.659 0 40 FHAB CCOc1ccc(Br)cc1/C=C/C(=O)Nc1cc(C)on1 8187074 ZIUKFXSGXLMARJ-QPJJXVBHSA-N 351.200 3.796 0 40 FHAB CCn1ncc2c(C(=O)Nc3c(C)nn(C)c3C)cc(-c3ccccc3)nc21 22389309 KGIIBRZDQWBHDP-UHFFFAOYSA-N 374.448 3.721 0 40 FHAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1cccc(Br)c1 8751382 TWGSOMXTRJMIQE-UHFFFAOYSA-N 371.234 3.904 0 40 FHAB CN(CC(=O)Nc1cccc2nsnc12)[C@H]1CCCc2ccccc21 19079998 RHTSOBNHAZSGPN-KRWDZBQOSA-N 352.463 3.639 0 40 FHAB CCC1=C(C(=O)OC)[C@H](c2ccccc2Cl)n2nc(SC)nc2N1 8843475 WEDNGAQWNFNYNP-ZDUSSCGKSA-N 364.858 3.505 0 40 FHAB Cc1nc(-c2nc[nH]n2)sc1C(=O)OCc1cc2c(Cl)cccc2[nH]1 72314150 NJNDLOIRLUJEEG-UHFFFAOYSA-N 373.825 3.728 0 40 FHAB CC[C@H](Oc1ccccc1C)C(=O)NCCCc1ccc(OC)c(OC)c1 219313158 KUHHJYYBEXKSHH-SFHVURJKSA-N 371.477 3.919 0 40 FHAB COC(=O)c1cn([C@H](C)C(=O)Nc2cccc(OC)c2)c2ccccc12 409205431 CMYGOGYPHAJTSN-CYBMUJFWSA-N 352.390 3.636 0 40 FHAB C[C@H](C(=O)NC1(Cc2ccccc2)CCC1)n1ccc(C(F)(F)F)n1 1543714024 XQDFGPPVSSDQAA-CYBMUJFWSA-N 351.372 3.745 0 40 FHAB O=C(CN1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1)N1CCCC1 72357648 CAAJSLGQNOZMDP-OAQYLSRUSA-N 367.468 3.571 0 40 FHAB N[C@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 72227960 NEAYWWIENOCPQR-ZIAGYGMSSA-N 351.631 3.518 0 40 FHAB Cc1nc(Nc2nncs2)cc([C@@H]2CCCN2Cc2ccccc2)n1 72360101 CKSAYASFOWJGCB-INIZCTEOSA-N 352.467 3.717 0 40 FHAB O=C(Nc1ccccn1)c1ccc2c(c1)C(=O)N(C1CCCCCC1)C2=O 32106452 MQQRJAQVVILXKZ-UHFFFAOYSA-N 363.417 3.653 0 40 FHAB O=C(CSc1nc2ccccc2o1)NCc1cc(-c2cccs2)on1 36662374 IAUTVIDSGOIVDC-UHFFFAOYSA-N 371.443 3.953 0 40 FHAB Cc1csc(C(=O)NCC2CCN(c3nc4ccccc4o3)CC2)c1 70932034 KNKJALIWONWCAK-UHFFFAOYSA-N 355.463 3.844 0 40 FHAB Cc1ccc(OCCC(=O)NCc2ccc(N3CCCC3=O)cc2)c(C)c1 30398867 IXOHSKNLOJFLAH-UHFFFAOYSA-N 366.461 3.516 0 40 FHAB CCO[C@H](C)c1nc(C)c(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)s1 76565393 WUECZFAXRHZHHF-CYBMUJFWSA-N 370.478 3.869 0 40 FHAB Cc1cccc(-c2cccc([C@@H]3CCCN(CC(=O)N4CCCC4)C3)n2)c1 72348766 RVIAGKIXRJTLAM-HXUWFJFHSA-N 363.505 3.859 0 40 FHAB CCOc1ccc(CNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 44912579 ZSJNCLHOTWCRLT-LJQANCHMSA-N 370.468 3.753 0 40 FHAB CN(CC(=O)NCc1ccccc1F)c1nc2c(Cl)cccc2s1 75162176 VZHQSPSIKMIZPE-UHFFFAOYSA-N 363.845 3.841 0 40 FHAB C[C@@H]1CCCCN1CCCCNC(=O)c1cc(F)ccc1Br 46989774 CFGZQYWWNQEZEE-CYBMUJFWSA-N 371.294 3.973 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccccc2CN2CCCC2)cc1C 224790967 JJTQNZYMJHKHSI-IBGZPJMESA-N 366.505 3.983 0 40 FHAB C[C@@H](NC(=O)c1cc(C2CC2)nc2ccccc12)c1nnc2ccccn12 48374335 AUSGCMZOJRWCHW-CYBMUJFWSA-N 357.417 3.646 0 40 FHAB Fc1ccc(CN2CC[C@H](c3nnc(Cc4ccccc4)o3)C2)cc1F 49169821 QTRAYGNPQZVKQK-INIZCTEOSA-N 355.388 3.928 0 40 FHAB biogenic,in-vitro CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1C 222935250 IZGJPMXEXFYGTP-MRXNPFEDSA-N 372.896 3.744 0 40 FHAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1C2 224326130 JBTCOBPXZFISID-SRHFCSSBSA-N 364.445 3.664 0 40 FHAB C[C@@H]1CCCN(CCCNC(=O)CSCc2ccc(Cl)cc2F)C1 223229773 REXGVWDNKZBJJT-CQSZACIVSA-N 372.937 3.951 0 40 FHAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(C)cn1)CC(C)(C)O2 225684575 WWCRBZMIWGQVJI-HNNXBMFYSA-N 357.479 3.987 0 40 FHAB Cc1cc(N2CCCC2)nc(NC(=S)NCc2ccc(Cl)cc2)n1 225935319 VESNIDZOSHCAMG-UHFFFAOYSA-N 361.902 3.525 0 40 FHAB Cc1cc(C)cc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c1 222507747 ZANCHFSIKJWIIL-UHFFFAOYSA-N 366.870 3.605 0 40 FHAB c1cc(COC[C@]23CCCO[C@H]2CCN(Cc2ccsc2)C3)ccn1 96040177 ZUGYZQHBLMXGKS-VQTJNVASSA-N 358.507 3.731 0 40 FHAB CC(C)c1nc2cc(NC(=O)c3cc(-c4cccnc4)n[nH]3)ccc2n1C 96117280 XPSLZKRYRRFNKH-UHFFFAOYSA-N 360.421 3.734 0 40 FHAB COCc1ccc(OC)c(CN2[C@H]3CC[C@H]2c2cnc(C4CC4)nc2C3)c1 247820597 CWSWESUELHYXBG-PXNSSMCTSA-N 365.477 3.771 0 40 FHAB CCOc1ccc(-c2noc(CN(CC)[C@H]3CCOC(C)(C)C3)n2)cc1 585084882 YYRAAASLDGDDJP-INIZCTEOSA-N 359.470 3.915 0 40 FHAB CCOc1cc(-c2cc(-c3cc(OC)c(O)c(OC)c3)nn2C)ccc1O 257323412 WKARTBUNWHWKFP-UHFFFAOYSA-N 370.405 3.581 0 40 FHAB COc1ccc(Cl)cc1C(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)O 95634051 CDIQUCODMBZZBU-UHFFFAOYSA-N 364.625 3.522 0 40 FHAB Cc1cccc(C(=O)N2CCC3(CC2)CO[C@H](CN2CCC[C@@H](C)C2)C3)c1 585103147 DOKSTYXWDQIQNN-CTNGQTDRSA-N 370.537 3.738 0 40 FHAB Cc1ccc(OCc2nc(CC(=O)Nc3ccc(C)cn3)cs2)cc1 27644622 IHSRRXAICFEUSZ-UHFFFAOYSA-N 353.447 3.915 0 40 FHAB COc1cccc(CNC(=O)CNc2ccc(OCCC(C)C)cc2)c1 76091844 YYYIRWDWEIXGCU-UHFFFAOYSA-N 356.466 3.848 0 40 FHAB O=C(N/C(=C/c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1 638504 FHNHTWQPBGWVJX-SILNSSARSA-N 363.438 3.889 0 40 FHAB Cc1ncoc1C(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 1615157338 MLVWBFRTJOAIJF-PBHICJAKSA-N 357.429 3.642 0 40 FHAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3C)o2)cc1 5435120 GITPKNIPKBDAIT-UHFFFAOYSA-N 367.430 3.978 0 40 FHAB COc1ccc(-c2cc(COC(=O)c3ccc(Cl)c(N)c3)on2)cc1 11197599 UHIKOEJRFCGUMV-UHFFFAOYSA-N 358.781 3.943 0 40 FHAB COc1ccc(O[C@H](C)C(=O)NCCSCc2ccccc2F)cc1 11707615 PISRGALPTNZIJJ-CQSZACIVSA-N 363.454 3.651 0 40 FHAB O=c1oc2ccccc2n1C1CCN(Cc2ccc3ccccc3n2)CC1 12143880 NINPTHFFEOIPFX-UHFFFAOYSA-N 359.429 3.980 0 40 FHAB O=C(Cc1csc(NC(=O)C2CC2)n1)Nc1ccc(C(F)(F)F)cc1 12849823 XTKYVBJERVEZHM-UHFFFAOYSA-N 369.368 3.692 0 40 FHAB Cc1cccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)c2)c1C 15882950 UMIMVYWJYLEJKL-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB O=C(NCc1ccc(F)cc1)[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 15935668 YXMHNTBLVFWJDM-HNNXBMFYSA-N 373.403 3.525 0 40 FHAB CCOc1cccc(/C=C2/C(=O)N(Cc3ccco3)SC2=S)c1O 17122134 JJYRFMXXSYLCBK-LCYFTJDESA-N 361.444 3.785 0 40 FHAB Cc1occc1C(=O)OCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 17276835 YPTQZHAIURBGAW-UHFFFAOYSA-N 373.792 3.975 0 40 FHAB CC(C)OCCCNc1ncc(-c2cccc(F)c2)c(-c2nccn2C)n1 19450425 XOUJRWZDESCPMI-UHFFFAOYSA-N 369.444 3.910 0 40 FHAB COc1ccc(CCC(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)cc1 19554499 BZMHAJWBTZJKGP-UHFFFAOYSA-N 363.461 3.910 0 40 FHAB CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@@H](OC(C)=O)[C@@]3(C)C[C@H]3O[C@@]213 169796371 RTQHUAHEQACVGY-RBFKZVKLSA-N 370.445 3.520 0 40 FHAB C[C@@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(N(C)C)cc1 3489507 OITDLFBVKIJQCC-CYBMUJFWSA-N 358.463 3.643 0 40 FHAB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)N1CCCCC1 6532010 WJENCSUXJMYGAZ-OAHLLOKOSA-N 370.522 3.697 0 40 FHAB CCN1CCN(CC(=O)Nc2ccccc2SCc2ccccc2)CC1 23304004 ROFZCNSZJKJAHH-UHFFFAOYSA-N 369.534 3.555 0 40 FHAB O=C(NC[C@@H](c1ccoc1)N1CCSCC1)c1cccc2ccccc12 253400410 LFSRCJHEKXCOKJ-FQEVSTJZSA-N 366.486 3.953 0 40 FHAB Cc1nc(N2CCN(c3ccccc3F)CC2)c2c3c(sc2n1)CCC3 753811 ZHQQXHNUXUTIEQ-UHFFFAOYSA-N 368.481 3.954 0 40 FHAB CCOc1ccccc1NC(=O)c1cccn(Cc2cccc(C)c2)c1=O 5269654 BLNOEBPPUAPQEM-UHFFFAOYSA-N 362.429 3.856 0 40 FHAB Cc1ccccc1OCC(=O)OCc1cc(-c2ccc3c(c2)OCO3)on1 16838702 SBMVUPHLLKSFPF-UHFFFAOYSA-N 367.357 3.501 0 40 FHAB CC(=O)Oc1cc2c(C(=O)NC[C@H]3CCCO3)c(C)oc2c2ccccc12 937975 OGCAPBOVBMIJQJ-CQSZACIVSA-N 367.401 3.729 0 40 FHAB CCOc1ccc2ccccc2c1[C@H]1NC(=S)N(C)C(C)=C1C(=O)OC 13522797 TXJWWULSRLEBQY-SFHVURJKSA-N 370.474 3.547 0 40 FHAB CN(C(=O)CCc1nc(-c2cccnc2)no1)[C@@H]1CCCc2ccccc21 40082154 FVQXCQGYLILTCR-GOSISDBHSA-N 362.433 3.600 0 40 FHAB CCOc1c(Br)cc(C(=O)N2CCCC[C@@H]2C)cc1OC 40159697 BQIDUBSVSWWPMP-NSHDSACASA-N 356.260 3.871 0 40 FHAB C[C@H]1CCCN(Cc2ccc(NC(=O)CCNC(=O)C3CCCC3)cc2)C1 40121252 IABXXWBQBXXOJN-KRWDZBQOSA-N 371.525 3.554 0 40 FHAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3ncc4ccccn34)ccc21 31634326 AONLOZMTESHORK-CYBMUJFWSA-N 365.458 3.607 0 40 FHAB CCc1ccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(OC)nn2)cc1 32093894 UFYQEUILMPHMPL-HNNXBMFYSA-N 363.421 3.665 0 40 FHAB CCCOc1ccc(CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 20925293 AXYLGDRYALPNLZ-FQEVSTJZSA-N 352.434 3.742 0 40 FHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)CCCc1c[nH]c2ccccc12 102214914 LUNSEULJLQMMSX-JTDSTZFVSA-N 370.493 3.975 0 40 FHAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cc(-c2ccccc2)on1 21805596 UNEXWFFJJLSXGR-GOSISDBHSA-N 365.433 3.892 0 40 FHAB O=S(=O)(Nc1ccccc1-c1nc(-c2ccco2)no1)c1ccccc1 22462341 LWWJEPGXTSROPX-UHFFFAOYSA-N 367.386 3.797 0 40 FHAB CCNC(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2ccccc2OC)cc1 47562201 DAXDTAHLPZMXGM-AWEZNQCLSA-N 355.438 3.670 0 40 FHAB O=C1O[C@H](CCN2CCCCC2)OC1(c1ccccc1)c1ccccc1 608027 DXSUDONPFZKWOO-FQEVSTJZSA-N 351.446 3.706 0 40 FHAB in-man C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)C1 12536162 GCOKTZCWPAUSAX-HZPDHXFCSA-N 372.490 3.606 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccccc2F)o1 928234 HEFUFQXTKMEJNG-LBPRGKRZSA-N 369.421 3.946 0 40 FHAB CC(C)(C)NC(=O)CC[C@H](CC(=O)NC(C)(C)C)OCc1ccccc1 1697812 RSBOUKZJWFVNSW-QGZVFWFLSA-N 362.514 3.572 0 40 FHAB Cc1ccccc1Nc1nnc(SCc2ccc(C(N)=O)cc2)s1 12534213 GUYWWCYLXBNOHD-UHFFFAOYSA-N 356.476 3.981 0 40 FHAB Cc1cc2c(cc(C(=O)O[C@@H](C(=O)NC3CCCCC3)C(C)C)n2C)o1 4967212 HLWFEYZJXYAIPZ-GOSISDBHSA-N 360.454 3.710 0 40 FHAB CCCCc1ccc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 6653009 QEWGLICSUHRQPC-UHFFFAOYSA-N 374.506 3.742 0 40 FHAB COc1cc(NC(=O)N[C@@H](C)CCc2ccc(O)cc2)cc(OC)c1OC 43170240 AAYJTHYJLBMFKX-ZDUSSCGKSA-N 374.437 3.561 0 40 FHAB CCc1ccc(OCC(=O)Nc2nnc(Cc3ccccc3)s2)cc1 7593863 BRXZAZJJYBOTKB-UHFFFAOYSA-N 353.447 3.709 0 40 FHAB Cc1ncsc1C(=O)Nc1nc(CN2C[C@@H](C)C[C@@H](C)C2)cs1 43286182 PUDZUVPXNDLSKU-PHIMTYICSA-N 350.513 3.638 0 40 FHAB CCCCc1ccc(NS(=O)(=O)c2ccc(CCNC(C)=O)cc2)cc1 55549461 CEDDLPCUFYILES-UHFFFAOYSA-N 374.506 3.509 0 40 FHAB Cc1cccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(C)cc(C)c2)c1 8413224 FUMSGNSIPGWACE-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1OC 8480239 QPTXMMKQVJSOME-HNNXBMFYSA-N 370.449 3.583 0 40 FHAB CCCOc1c(Cl)cc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1OCC 84756769 NDNHHLYLKCNYKZ-HUUCEWRRSA-N 355.862 3.561 0 40 FHAB O=C(CN1CCc2sccc2[C@@H]1c1cccs1)NCc1ccco1 35325911 XRKOYRQFMUPXKE-GOSISDBHSA-N 358.488 3.667 0 40 FHAB O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc(Cl)c(Cl)c1 53990194 AXRCXBAHMQDOGZ-UHFFFAOYSA-N 364.276 3.783 0 40 FHAB Cc1cc(C)c2c(C)c(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)sc2n1 25982892 QLNLIFBBOBRFCY-UHFFFAOYSA-N 352.419 3.643 0 40 FHAB O=S(=O)(NC[C@@H]1CCOc2ccccc21)c1ccccc1C(F)(F)F 108875315 UIHNLGHEUXKXHL-LBPRGKRZSA-N 371.380 3.550 0 40 FHAB O=C(COC(=O)c1ccccc1Br)Nc1ccccc1Cl 1993671 MMECVQWJRQBOOJ-UHFFFAOYSA-N 368.614 3.898 0 40 FHAB Cc1oc(-c2ccccc2)nc1C(=O)NC[C@H](c1ccco1)N1CCCC1 27333713 JHJFEISLCMSCGK-QGZVFWFLSA-N 365.433 3.810 0 40 FHAB Cc1ccc(-n2cnnc2SCC(=O)Nc2nc(C)c(C)s2)c(C)c1 10193409 HTXGZNLJKPGQLE-UHFFFAOYSA-N 373.507 3.688 0 40 FHAB O[C@@H](CNCc1csc(-c2ccsc2)n1)c1ccc(F)c(F)c1 58161359 JWHHFNTYLMWINJ-HNNXBMFYSA-N 352.431 3.973 0 40 FHAB CC(C)C[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1ccccc1 101032902 IGKFVPFUHTWJMI-FHWLQOOXSA-N 368.408 3.550 0 40 FHAB CCN(CC)C(=O)c1ccccc1NC(=O)/C=C/c1ccc2c(c1)OCO2 56340499 HSYNQDSZDKMSJL-ZRDIBKRKSA-N 366.417 3.549 0 40 FHAB COc1cccc([C@H]2CCCN2CC(=O)NCc2ccccc2Cl)c1 10225904 RVKGWGZYSLMXQY-LJQANCHMSA-N 358.869 3.802 0 40 FHAB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)C[C@H]2Sc3ccccc3NC2=O)o1 53643003 XGWNNLZDOQYTCX-WPKBUWHJSA-N 370.474 3.865 0 40 FHAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cccnc1Cl 21595505 VKYXYVKRQXGPSP-UHFFFAOYSA-N 356.234 3.524 0 40 FHAB Clc1ccc(-c2cc(CN3CCN(c4ccccn4)CC3)on2)cc1 12766172 KURDNHFHXGQDFD-UHFFFAOYSA-N 354.841 3.712 0 40 FHAB COC(=O)C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1cccs1 12744679 QEXMSZCEEWDSQI-CYBMUJFWSA-N 371.380 3.730 0 40 FHAB Cc1ccc(C(=O)[C@H](C)Sc2nnnn2-c2ccc(C)cc2C)cc1 3367863 DQKBOOMOWOBQCP-HNNXBMFYSA-N 352.463 3.951 0 40 FHAB COc1ccc(Cn2c(S)nc3c(-c4ccccc4)c[nH]c3c2=O)cc1 100071578 SCPCQGQDYDDDTI-UHFFFAOYSA-N 363.442 3.737 0 40 FHAB CNc1ccccc1C(=O)OCc1nc(N)c2c3c(sc2n1)CCCC3 95469629 GIKWDIURVWIOMT-UHFFFAOYSA-N 368.462 3.551 0 40 FHAB CCOc1cc(C(=O)OCC(=O)c2ccccc2)cc(OCC)c1OCC 3341811 OCSGSWLDCZMFND-UHFFFAOYSA-N 372.417 3.922 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1sccc1C 3314657 KIZXNSYCGNXGIA-UHFFFAOYSA-N 353.827 3.822 0 40 FHAB CC(C)(CN1CCCC1)CN1[C@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2 100763494 PMXVSZGZRAMYHV-PMACEKPBSA-N 360.517 3.762 0 40 FHAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2C)NC(=S)N1 28466933 YTUGNUPVHLHIOG-KRWDZBQOSA-N 355.438 3.566 0 40 FHAB CCOc1ccc([C@H](C)NC(=O)c2cccc(N3CCCC3=O)c2)cc1 11173423 RFGTXJUOKZQHQI-HNNXBMFYSA-N 352.434 3.703 0 40 FHAB C[C@H](Oc1cccc2c1CCC2=O)C(=O)Nc1ccc(Br)cc1 11100368 ZYCFJFAHVZFASG-NSHDSACASA-N 374.234 3.984 0 40 FHAB COc1ccc(CCn2cnc3c([nH]c4cccc(Cl)c43)c2=O)cc1 2450688 BOONAXSJDXOPRF-UHFFFAOYSA-N 353.809 3.783 0 40 FHAB Cn1c(=O)c2ccccc2n2c(CNc3ccc(Cl)cc3Cl)nnc12 11549347 XYWSBPSTMUGQRV-UHFFFAOYSA-N 374.231 3.500 0 40 FHAB Cc1cnc2c(S(=O)(=O)N3CCC[C@@H](C(F)(F)F)C3)cccc2c1 29317792 DJJLVRALBZHHQZ-CYBMUJFWSA-N 358.385 3.506 0 40 FHAB C[C@H](Sc1nccn1-c1ccc(Cl)cc1)C(=O)NCc1ccco1 10270689 YIIMTXLZYKOIIL-LBPRGKRZSA-N 361.854 3.916 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)c1cccc(NS(C)(=O)=O)c1C 10315331 SCNPIXVWMNWZFU-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB COC(=O)C[C@@H](NC(=O)CC(C)(C)C)c1cccc(Br)c1 53412980 GPTBRZXLJYMBMN-CYBMUJFWSA-N 356.260 3.606 0 40 FHAB C[C@H](Sc1nnc2ccccn12)C(=O)Nc1ccc(C(F)(F)F)cc1 2637219 WWXSWXJYXIKJJL-JTQLQIEISA-N 366.368 3.867 0 40 FHAB O=c1c2oc3ccccc3c2ncn1C[C@H](O)c1ccccc1C(F)(F)F 60522868 TVEJAAFTCNCQRA-AWEZNQCLSA-N 374.318 3.895 0 40 FHAB Nc1c(C(=O)N2CCOCC2)sc2nc(-c3ccc(Cl)cc3)ccc12 12249749 IJMRTCCEQFYMLE-UHFFFAOYSA-N 373.865 3.671 0 40 FHAB CCOc1ccc(C(=O)NCc2cc3c(cc2OCC)C[C@H](C)O3)cc1 12979902 CINKHXUNPOAFMX-AWEZNQCLSA-N 355.434 3.737 0 40 FHAB CCn1c(SCCOc2ccccc2C(C)=O)nc2ccsc2c1=O 12900889 WUZNONULCKJOGW-UHFFFAOYSA-N 374.487 3.852 0 40 FHAB COc1ccc2[nH]c(C)c(CCNCc3cc(OC)c4c(c3)OCO4)c2c1 3622374 IPFIQMHJJGTQGQ-UHFFFAOYSA-N 368.433 3.555 0 40 FHAB CCc1nc(CN(C)C(=O)/C=C/c2ccc(Br)o2)cs1 49036444 YOBSVSVQBUETRD-FNORWQNLSA-N 355.257 3.733 0 40 FHAB CCOCCOc1ccccc1C(=O)Nc1ccc(NC(=O)CC)cc1 13614226 RCGKKWXDTASFCH-UHFFFAOYSA-N 356.422 3.703 0 40 FHAB Cc1cc(C)c(N2CC(=O)N(c3c(C)cc(C)cc3C)CC2=O)c(C)c1 6084519 BSIHNNWPVWIXDN-UHFFFAOYSA-N 350.462 3.917 0 40 FHAB Fc1ccc(-c2[nH]ncc2-c2nnnn2-c2ccc(Cl)cc2)c(F)c1 4284995 JRETWWHFFWCJCN-UHFFFAOYSA-N 358.739 3.651 0 40 FHAB O[C@]1(c2ccc(OC(F)F)cc2)C[N+]2=C(CCCCC2)N1c1ccccc1 13765753 YFVAFEYZJQWCGY-NRFANRHFSA-N 373.423 3.938 0 40 FHAB CCC(=O)Nc1ccc(C2=NN=C(NCCc3ccccc3)SC2)cc1 6111850 HRTMVDXFLMLVSU-UHFFFAOYSA-N 366.490 3.674 0 40 FHAB COCCn1c(-c2ccc(F)cc2)cnc1NCc1ccccc1OC 4679266 YOEDZXVMVVPBKL-UHFFFAOYSA-N 355.413 3.956 0 40 FHAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1nc2ccccc2[nH]1 6971253 GRPRSZVGRTUKSF-JTQLQIEISA-N 360.211 3.731 0 40 FHAB Cc1cc(C)n(CCCNC(=O)c2ccc(-n3cnc4ccccc43)cc2)n1 9468570 TXLIIFFYEZYPNA-UHFFFAOYSA-N 373.460 3.659 0 40 FHAB COc1cc2nc(/C(Cl)=C/c3cccc(F)c3)[nH]c(=O)c2cc1OC 7275056 HLDQHSBMHQKDGS-QPEQYQDCSA-N 360.772 3.816 0 40 FHAB Cc1noc(C)c1COc1ccccc1C(=O)NOCc1ccccc1 25039445 JJICOVDNVSNEFR-UHFFFAOYSA-N 352.390 3.732 0 40 FHAB COc1ccc(CCN2C(=O)c3ccccc3N[C@@H]2c2ccccn2)cc1 7884490 PFWVBKVLBLKXHD-NRFANRHFSA-N 359.429 3.899 0 40 FHAB Cc1ccc(OCCCN2C(=O)C3(OCCCO3)c3cccc(C)c32)cc1 8059803 AUVSEUINQRFPPP-UHFFFAOYSA-N 367.445 3.709 0 40 FHAB COc1ccc(C2(c3nc(COc4ccccc4)no3)CCOCC2)cc1 71890015 FEWFQQYARLCIAI-UHFFFAOYSA-N 366.417 3.754 0 40 FHAB CCn1nnnc1-c1cccc(NC(=O)/C=C/c2cccc3cccnc23)c1 83836982 NDVXFZLQDAOVOU-VAWYXSNFSA-N 370.416 3.560 0 40 FHAB COCC(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1C(=O)OC 83897840 XJPRBGRGMWNTFW-UHFFFAOYSA-N 367.323 3.744 0 40 FHAB O=C(CSc1ncc2ccccn12)N(Cc1ccccc1F)C1CC1 8710130 LZCJBMUNGNJHAC-UHFFFAOYSA-N 355.438 3.757 0 40 FHAB CCn1cc(C(=O)Nc2cc(Cl)ccc2OC)c(=O)c2ccccc21 408713304 RYGAEFYETCDMLD-UHFFFAOYSA-N 356.809 3.936 0 40 FHAB CC(=O)Nc1ccc(N[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1 8706869 BUNREPXWWFANRI-LJQANCHMSA-N 364.405 3.733 0 40 FHAB O=C(/C=C/c1nc2ccccc2s1)Nc1cccc(Cn2cnnc2)c1 95405264 YRDSJYJUBVRPAJ-CMDGGOBGSA-N 361.430 3.588 0 40 FHAB CC[C@@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccc(OC)cc1 20112309 DIJIRWWMKKWVGA-QGZVFWFLSA-N 353.871 3.919 0 40 FHAB Cc1nc2cc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)ccc2o1 9951872 HXIMUMVPCUAIPB-KRWDZBQOSA-N 352.390 3.946 0 40 FHAB Cc1n[nH]c(C)c1NC(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 89522942 JNJMUNJWEUZXBV-UHFFFAOYSA-N 365.890 3.877 0 40 FHAB CCOc1cc([C@H]2NC[C@@H](C(=O)O)S2)ccc1OCc1cccc(C)c1 408979224 QFEZADUJHWUJAC-OALUTQOASA-N 373.474 3.761 0 40 FHAB Cc1ccc(-c2noc(N3CCCN(Cc4csc(C)n4)CC3)n2)cc1 302046442 NJFSJMXSQNSQMV-UHFFFAOYSA-N 369.494 3.522 0 40 FHAB O=C(NCc1cc2c(cc1OC(F)F)OCO2)N[C@H]1CC12CCCCC2 538873961 MQIAWFQQKKMEOR-HNNXBMFYSA-N 368.380 3.539 0 40 FHAB CCOc1ccc(-c2cc3c(=O)n(Cc4cccc(F)c4)ccn3n2)cc1 64977460 KATVWIVGCJIGQP-UHFFFAOYSA-N 363.392 3.749 0 40 FHAB Cc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)c3c[nH]nc3C)C2)c1 72359006 FOJNKSHLUQRBNS-KRWDZBQOSA-N 361.449 3.503 0 40 FHAB O=C(Cc1cccc(Br)c1)NCCCN1CCc2ccccc21 225620452 AJLLFZUPKWDRGV-UHFFFAOYSA-N 373.294 3.561 0 40 FHAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 225611394 HAGFSFHRMRRAFN-OAQYLSRUSA-N 362.514 3.941 0 40 FHAB COC(=O)c1cccc(NC(=S)NCCCc2ccc(F)cc2)c1C 225547513 WKJXXDQRSNMDJR-UHFFFAOYSA-N 360.454 3.840 0 40 FHAB COc1ccc(-c2noc(C(=O)N(C)Cc3ccccc3)c2[C@H](C)O)cc1 225431133 FYVBGLDHGQWDDI-AWEZNQCLSA-N 366.417 3.676 0 40 FHAB biogenic,in-vitro CCC(CC)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2C)c1 224127770 CIYWJWKNUVERIA-UHFFFAOYSA-N 374.506 3.739 0 40 FHAB CN(C)CCOc1ccc(CNC(=O)c2cc(Cl)ccc2Cl)cc1 48365191 IFFRLKNJQIUBKC-UHFFFAOYSA-N 367.276 3.864 0 40 FHAB COc1cccc(-c2noc(CNC(=O)c3ccc4c(c3)CCCC4)n2)c1 225635254 MHNXMJYFOMVDOI-UHFFFAOYSA-N 363.417 3.554 0 40 FHAB Cc1n[nH]c(-c2ccc(Cl)cc2)c1CC(=O)NCCc1ccc(O)cc1 95479929 OKKPYBLQEOPAFB-UHFFFAOYSA-N 369.852 3.646 0 40 FHAB Cc1ccc(C(=O)N2CC[C@@]3(C[C@@H]3C(=O)NCc3cccs3)C2)cc1C 96227647 FGKQXIJHSWJHRA-WIYYLYMNSA-N 368.502 3.534 0 40 FHAB COc1ccc(CN2CCO[C@]3(CCCN(c4cccc(F)c4)C3)C2)cc1 96049081 AMQPBBQEGNNAFV-JOCHJYFZSA-N 370.468 3.706 0 40 FHAB c1cnc(N2CCC3(CC2)C[C@H](NCc2cccnc2)c2ccccc23)nc1 96241497 XYZHSNAHPRRQKC-NRFANRHFSA-N 371.488 3.644 0 40 FHAB O=C(c1ccc(Cl)cc1)N1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 98211658 JECDFLJLPUUOPA-UHFFFAOYSA-N 366.852 3.693 0 40 FHAB CN(C)CCOc1cccc(CN(C)Cc2cnc(-c3ccccc3)[nH]2)c1 585084632 VLJIAAQUMCGPLH-UHFFFAOYSA-N 364.493 3.649 0 40 FHAB Cc1cc(N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)nc(C)n1 585083503 XHVAQGQXYZHXAV-OAHLLOKOSA-N 353.344 3.570 0 40 FHAB Cc1cc(N2CCC[C@H](c3ncc(Cc4cccc(F)c4)o3)C2)ncn1 257241451 HYBTZMPOWHPISE-INIZCTEOSA-N 352.413 3.887 0 40 FHAB O=C(Nc1cccc(-c2nnco2)c1)N[C@H]1CCC[C@H](C(F)(F)F)C1 44086225 CVYVWKGRIIUYAE-AAEUAGOBSA-N 354.332 3.979 0 40 FHAB CC(=O)Oc1ccc(C(=O)COC(=O)c2cc3ccccc3cc2O)cc1 5976370 NCZDDVDBAPRJED-UHFFFAOYSA-N 364.353 3.510 0 40 FHAB CCCc1nc2cc(NC(=O)c3cnc(C(C)(C)C)nc3)ccc2n1C 12116914 DCWVFHNLNZMEKI-UHFFFAOYSA-N 351.454 3.866 0 40 FHAB COc1cccc(NC(=O)N2[C@H]3CCC[C@@H]2CC(NC(=O)C(C)(C)C)C3)c1 12481308 SGEHRLCKCLJUHB-ALOPSCKCSA-N 373.497 3.775 0 40 FHAB COc1ccccc1C(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 13152602 FDLCAYMOZUDADK-YQQQUEKLSA-N 350.462 3.621 0 40 FHAB Cc1cccc(Nc2nc(NC[C@@H](C)O)nc3c2cnn3-c2ccccc2)c1 17135427 MXOHAESIQZMMNK-OAHLLOKOSA-N 374.448 3.660 0 40 FHAB Cc1cc(-c2cnc(NC(C)C)nc2C2CCN(C(=O)C(C)C)CC2)on1 19122738 BKSZSLXNBOZYCE-UHFFFAOYSA-N 371.485 3.622 0 40 FHAB Fc1cccc(CN(Cc2ccnn2[C@@H]2CCCCO2)C[C@H]2CCCO2)c1 19293773 WKFDTFIGJCVQGL-RTWAWAEBSA-N 373.472 3.903 0 40 FHAB CCCn1nc(C)c(CN2CCN(CC3(c4ccccc4)CC3)CC2)c1C 19525845 QCPCSZFKWPKLNX-UHFFFAOYSA-N 366.553 3.759 0 40 FHAB CN(C)[C@@H](C(=O)NCc1ccccc1N1CCCC1)c1ccc(Cl)cc1 19716702 ZYODGASMWWJPKH-HXUWFJFHSA-N 371.912 3.859 0 40 FHAB CN(C(=O)COC(=O)Cc1coc2cc3c(cc12)CCC3)C1CCCCC1 3442595 DINHXGAVHZNSBL-UHFFFAOYSA-N 369.461 3.798 0 40 FHAB O=C(/C=C/c1ccsc1)OCC(=O)c1cccc(Br)c1 5197497 JLHDZMWMYXVFMQ-SNAWJCMRSA-N 351.221 3.950 0 40 FHAB O=C(Nc1cccc(Cl)c1)N1CCC(N(c2ccncn2)C2CC2)CC1 1888876248 USGHVZAELAGKRQ-UHFFFAOYSA-N 371.872 3.795 0 40 FHAB COc1ccc(C(=O)NC[C@H](O)c2ccc(-c3ccco3)s2)cc1F 1888963702 RLTBBWDMDCZCER-ZDUSSCGKSA-N 361.394 3.619 0 40 FHAB Cc1ccc(SCCNC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 19934630 YSHMKFOSDMTWKD-UHFFFAOYSA-N 368.502 3.640 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc(NC(=O)CC(C)C)s2)c1 4077812 YVZNHUMLFHEFLI-UHFFFAOYSA-N 364.496 3.562 0 40 FHAB COc1ccc(CC(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)cc1 5099443 VBSAJCVJKBFJRK-UHFFFAOYSA-N 366.461 3.812 0 40 FHAB Cc1nnc(-c2cn(CC(=O)N3CCc4ccccc43)c3ccccc23)o1 11695930 CIJIREANQRTYPN-UHFFFAOYSA-N 358.401 3.589 0 40 FHAB CCC(=O)N1CCCc2cc(NS(=O)(=O)c3cc(C)ccc3C)ccc21 17248132 JLSCKTZQMMMEPW-UHFFFAOYSA-N 372.490 3.793 0 40 FHAB Cc1nc2ccccc2n1C1CN(C(=O)CSCc2ccccc2)C1 1775974447 RREKSVOICHWYEO-UHFFFAOYSA-N 351.475 3.661 0 40 FHAB Cc1cc2cc(CNC(=O)c3ccc(O[C@H]4CCSC4)nc3)ccc2[nH]1 225717240 CKFIWQZIHSIJQD-KRWDZBQOSA-N 367.474 3.686 0 40 FHAB COc1ccc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCCO3)c(O)c1 8740587 UMTVUIVCCWBBHM-UHFFFAOYSA-N 352.390 3.928 0 40 FHAB biogenic CC(C)c1cc(C(=O)N2CCC(c3nc4ccccc4cc3N)CC2)no1 12087850 HEFAUWRVCAKQNB-UHFFFAOYSA-N 364.449 3.948 0 40 FHAB COc1ccc(CNc2ncnc3c2[nH]c2cc(OC)c(OC)cc23)cc1 13865222 OGALKEQQTXGZLC-UHFFFAOYSA-N 364.405 3.749 0 40 FHAB C[C@H](NCc1csc(Br)c1)c1ccc(-n2cncn2)cc1 30545456 RXOUTMWIRPRBSF-NSHDSACASA-N 363.284 3.942 0 40 FHAB O=C(CCN1CCSC1=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 40118518 NHYOQDCRPNZBOQ-QGZVFWFLSA-N 350.459 3.732 0 40 FHAB CCOc1ncccc1CNC(=O)Cc1csc(-c2ccsc2)n1 31324517 ZAMLONOPFFPGCP-UHFFFAOYSA-N 359.476 3.524 0 40 FHAB CCCCCOc1cc(C)c(C)cc1S(=O)(=O)NCc1ccco1 31903961 RFQDVIQOFCELEX-UHFFFAOYSA-N 351.468 3.944 0 40 FHAB COc1cccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)c1 51364448 ADXUJJLNBZLAMT-SFHVURJKSA-N 360.413 3.854 0 40 FHAB Cc1ccccc1-n1c2c(c(=O)[nH]c1=S)CN(Cc1ccccc1)CN2 20567430 XDQLHGACKCNLRG-UHFFFAOYSA-N 364.474 3.589 0 40 FHAB COc1ccc(N2C(=O)C[C@H]([C@@H]3CCCC=C3N3CCCCC3)C2=O)cc1 101130491 FCHGOTAXHIXVHB-RBUKOAKNSA-N 368.477 3.745 0 40 FHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1csc(-c2ccco2)n1 32753147 QKNZWXMCCUJOGD-UHFFFAOYSA-N 356.403 3.794 0 40 FHAB CCc1ccc(-c2noc(CS(=O)(=O)c3ccc(F)c(F)c3)n2)cc1 52614621 HWIHPETUNOHKHO-UHFFFAOYSA-N 364.373 3.551 0 40 FHAB CCOc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ncnn32)ccc1O 102656877 NQVRWBTXIFQKTI-QGZVFWFLSA-N 354.410 3.690 0 40 FHAB Cc1ccccc1N1C(=O)[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccco2)C1=O 102761323 GDRZUJHCHDPAKO-SLFFLAALSA-N 374.396 3.639 0 40 FHAB O=C(NCc1ccc(OCC(F)(F)F)cc1)c1cc(-c2ccco2)[nH]n1 23056232 FKAQKEUKJYIQBO-UHFFFAOYSA-N 365.311 3.541 0 40 FHAB Cc1cc(C)c(OCC(=O)OCC(=O)N2c3ccccc3C[C@H]2C)c(C)c1 23074529 HQSMJMXYLMZIAV-QGZVFWFLSA-N 367.445 3.512 0 40 FHAB O=C(COC(=O)c1ccccn1)Nc1cc(C(F)(F)F)ccc1Cl 807523 CHDAENDZTASCIW-UHFFFAOYSA-N 358.703 3.549 0 40 FHAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 1023610 CLDIDNDLLYYBGS-JTQLQIEISA-N 350.752 3.610 0 40 FHAB CC1(C)Cc2c(sc3ncn4nc(-c5ccccc5O)nc4c23)CO1 1305302 OYDFAOULFXGZCH-UHFFFAOYSA-N 352.419 3.563 0 40 FHAB CCCC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2F)cc1OC 1324306 QRFAWFKNBRGORX-UHFFFAOYSA-N 360.385 3.834 0 40 FHAB Cc1cc(C)cc(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)c1 1365622 DVWDWHYXINROTP-UHFFFAOYSA-N 357.498 3.996 0 40 FHAB COc1ccc(N[C@@H](NC(=O)c2ccccc2)C(=O)c2ccccc2)cc1 1450995 ZDEFFVZSLDONHY-NRFANRHFSA-N 360.413 3.746 0 40 FHAB CCCOC(=O)c1ccc(OC(=O)c2ccccc2OCC)c(OC)c1 2069718 FRWLPXLMXIYKEX-UHFFFAOYSA-N 358.390 3.880 0 40 FHAB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O[C@H](C)C(=O)OC 2286631 QUTJOQDQOKHANN-LLVKDONJSA-N 373.430 3.728 0 40 FHAB C[C@H]1CCc2c(sc3ncn4nc(-c5ccccc5C(=O)O)nc4c23)C1 2441731 RTLMQSNSBGWVRA-JTQLQIEISA-N 364.430 3.829 0 40 FHAB O=C(Nc1ccc(F)c(F)c1)c1cccc(I)c1 2750190 ZHJRDSDZZJCSDC-UHFFFAOYSA-N 359.113 3.822 0 40 FHAB FC(F)(F)c1cnc(NNC(=S)NCCc2ccccc2)c(Cl)c1 3305030 IGYZZXDQNVEVBE-UHFFFAOYSA-N 374.819 3.788 0 40 FHAB CCc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 3414470 UHMRZPDSHNJHAN-HNNXBMFYSA-N 353.466 3.666 0 40 FHAB CCC[C@H](C)NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 3575907 GXVKYYHDPAWXPN-AWEZNQCLSA-N 366.417 3.956 0 40 FHAB CCOc1ccc(C(=O)Nc2nc3ccc(C(=O)OC)cc3s2)cc1 4275326 PDVJGTYOSSKYPT-UHFFFAOYSA-N 356.403 3.734 0 40 FHAB Cc1ccc(NC(=O)c2ccc(C[C@H]3SC(=O)NC3=O)cc2)cc1Cl 4484425 JXCOLQCEAIDSLO-OAHLLOKOSA-N 374.849 3.795 0 40 FHAB CCCCCOc1ccc(NC(=O)C(=O)NCc2ccc(OC)cc2)cc1 4699410 QKFVPHRVVOBIAW-UHFFFAOYSA-N 370.449 3.519 0 40 FHAB biogenic,in-vitro COc1cc(N[C@H](C)C(=O)Nc2cccc(Cl)c2)cc(OC)c1OC 5119091 TVTTYOOBJHJPPJ-LLVKDONJSA-N 364.829 3.805 0 40 FHAB CCOC(=O)c1ccc(O[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)cc1 5429034 QXHXNGKADRLECB-MGPUTAFESA-N 367.445 3.824 0 40 FHAB CN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccccc1 5555141 JYPRTKVDJXINDG-HNNXBMFYSA-N 370.202 3.731 0 40 FHAB COc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1 6054464 AQKJRJWMTCDZBL-TZCWYCDXSA-N 365.429 3.618 0 40 FHAB O=C(/C=C/c1ccccc1)Nc1nc2ccc(N3CCOCC3)cc2s1 6423102 ZYPJNHXKZYRJQZ-RMKNXTFCSA-N 365.458 3.785 0 40 FHAB C[C@H]1CCCN(C(=O)COC(=O)c2cccc(Oc3ccccc3)c2)C1 6485719 RCRUPBVFSXRWNE-INIZCTEOSA-N 353.418 3.894 0 40 FHAB COc1ccc(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 6610822 ARCIQWLXEXCIKS-ZDUSSCGKSA-N 356.447 3.551 0 40 FHAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(Br)c(C)n1 6614616 UEXUWNRDPWBHMX-UHFFFAOYSA-N 364.268 3.588 0 40 FHAB COc1cccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 6976332 WWHXJXZSQXYLLA-UHFFFAOYSA-N 364.367 3.676 0 40 FHAB CSc1ccccc1NS(=O)(=O)c1ccccc1Br 7056683 NHGJGDZBWFNWHK-UHFFFAOYSA-N 358.282 3.972 0 40 FHAB COc1ccc(C(=O)CSc2nccn(-c3cccc(C)c3)c2=O)cc1 7615758 HUPVXVAPKKWMOQ-UHFFFAOYSA-N 366.442 3.525 0 40 FHAB CCN(CC(=O)Nc1ccccc1-c1ccccc1)CC(=O)NC(C)(C)C 7684994 RHKHZWONZJTMNF-UHFFFAOYSA-N 367.493 3.529 0 40 FHAB CCN(CC(=O)NCc1cccs1)C(=O)c1oc2c(F)cccc2c1C 7735513 SBCHXKCDXBJKEF-UHFFFAOYSA-N 374.437 3.720 0 40 FHAB CC(C)[C@@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccccc1 8003246 ZSAJUVGRMSTLOF-OAQYLSRUSA-N 365.477 3.504 0 40 FHAB O=C(NCc1ccccc1CN1CCCC1)c1cc(Cl)c2c(c1)OCO2 8012465 VQJIGIMIKGVSKW-UHFFFAOYSA-N 372.852 3.595 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)CCCn1c(=O)oc2ccccc21 8074878 MPWBGZARHQRVHH-MRXNPFEDSA-N 352.434 3.512 0 40 FHAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1ncc(-c2ccccc2)o1 8157115 CDXJRCMVUNBQBL-JOCHJYFZSA-N 373.412 3.625 0 40 FHAB C[C@H]1Oc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2NC1=O 8942290 WEODBSSXECKHIL-SECBINFHSA-N 350.296 3.677 0 40 FHAB Cc1ccccc1NC(=O)CC[C@@H]1N=C(O)N([C@@H](C)c2ccccc2)C1=O 8991494 PXOUVTBTWKZDIH-YJBOKZPZSA-N 365.433 3.600 0 40 FHAB CCCCC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)s1 9224802 FYECZEFRIBXUMV-CQSZACIVSA-N 372.494 3.804 0 40 FHAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1ccc2[nH]nnc2c1 9319006 XWXYHLLPGQVIQP-KRWDZBQOSA-N 352.394 3.678 0 40 FHAB Cc1ccc(NC(=O)[C@@H](Nc2cccc(C(N)=O)c2)c2ccccc2)cc1 9608073 ZOMYDTDYHCZPLT-FQEVSTJZSA-N 359.429 3.886 0 40 FHAB COc1cccc(CNC(=O)NCc2ccc3cc(OC)ccc3c2)c1 9711107 QLWMSOBTFLUDMJ-UHFFFAOYSA-N 350.418 3.856 0 40 FHAB O=C(CCCn1c(=O)oc2ccccc21)N1CCC[C@H]1c1cccs1 10025704 QUSYYNMBSKXLQW-HNNXBMFYSA-N 356.447 3.800 0 40 FHAB O=C(CCc1ncc(-c2ccccc2)o1)NCCc1nc2ccccc2[nH]1 10432480 DUXLMWDTZLYYHY-UHFFFAOYSA-N 360.417 3.509 0 40 FHAB O=C(CCc1csc(NC(=O)c2ccco2)n1)NCCC1=CCCCC1 11835261 MRGBKIORKSLTCZ-UHFFFAOYSA-N 373.478 3.928 0 40 FHAB COc1cc2c(cc1NC(=O)[C@@H]1CC(=O)N(C3CC3)C1)oc1ccccc12 12738635 JGBQLDYZYYMNRD-GFCCVEGCSA-N 364.401 3.544 0 40 FHAB COc1ccc2cc(CNC(=O)[C@@H]3Oc4ccccc4O[C@H]3C)ccc2c1 12845494 BKSDRAAOQZWXKM-LHSJRXKWSA-N 363.413 3.693 0 40 FHAB CN(C)C(=O)c1cccc(NC(=O)c2cc(F)ccc2Br)c1 13001011 UUDZRBJFMXQFQZ-UHFFFAOYSA-N 365.202 3.542 0 40 FHAB CC(C)(C)C(=O)COC(=O)c1cc2ccccc2cc1NC(=O)C1CC1 14198656 SBEDASAODCOTSJ-UHFFFAOYSA-N 353.418 3.960 0 40 FHAB Cc1ccc(CN2C[C@@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 14494655 NBXAKSBTYALFRW-INIZCTEOSA-N 356.853 3.944 0 40 FHAB C[C@@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccc(F)c(F)c1 14575180 HJYQDYWCJNPLDC-SECBINFHSA-N 373.808 3.513 0 40 FHAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)cc3)ccc21 15867559 ALRKVAZBIQEDRU-UHFFFAOYSA-N 371.462 3.584 0 40 FHAB CC[C@H](C(=O)NCc1cc(-c2ccc3c(c2)OCO3)on1)c1ccccc1 16838607 KZMMIXNWYGXICT-KRWDZBQOSA-N 364.401 3.880 0 40 FHAB CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2Cc1cccc(C)n1 19236325 DZAOSZIEWRNXOZ-YPAWHYETSA-N 367.468 3.508 0 40 FHAB Cn1nccc1CN1CCC(c2ccc(Cc3ccc(F)cc3)cn2)CC1 19690537 HNTIOQOPNSQVNG-UHFFFAOYSA-N 364.468 3.925 0 40 FHAB CCN(C(=O)Cc1c[nH]c2ccccc12)[C@H]1CN(C)C2(CCCCC2)C1 19695726 YTWLLOURGVRFHS-GOSISDBHSA-N 353.510 3.966 0 40 FHAB CCN(CC)C1CCN(Cc2cn(C)c3cc(OC)cc(OC)c23)CC1 19715820 KAFXVCPRVRPBSF-UHFFFAOYSA-N 359.514 3.502 0 40 FHAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)COc1ccc(OC)cc1 20488706 IMXNTLVSMJAEAI-JXFKEZNVSA-N 357.450 3.745 0 40 FHAB Cc1cc(C)c(-c2csc(NC(=O)CN3C[C@H](C)O[C@H](C)C3)n2)cc1C 22240605 MNTGVMMABXKRLB-IYBDPMFKSA-N 373.522 3.783 0 40 FHAB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)Cc3cccc(F)c3)n2)C1 22292961 HNYRXLGOGIJRKX-KBPBESRZSA-N 361.486 3.941 0 40 FHAB O=c1c2c(cnn2-c2ccc(F)cc2)c(C2CC2)nn1CCc1ccccc1 22768088 CRGYFNUFHLHAJG-UHFFFAOYSA-N 374.419 3.841 0 40 FHAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)N1CCOc2ccccc21 24586059 UHYCVLRSNFANLP-UHFFFAOYSA-N 370.355 3.978 0 40 FHAB O=C(Nc1cccc(Cn2ccnc2)c1)c1cc(-c2cccs2)on1 25179200 NTZGJTVINUVYIG-UHFFFAOYSA-N 350.403 3.900 0 40 FHAB CCn1nc(C)cc1NC(=O)[C@@H](C)n1nc(C(F)(F)F)c(Cl)c1C 28245290 OVPYWTGUXSCXLH-SECBINFHSA-N 363.771 3.588 0 40 FHAB COc1cccc(OC)c1C(=O)NCc1csc(-c2ccccc2)n1 28246003 WXNXKXOXDHQILG-UHFFFAOYSA-N 354.431 3.757 0 40 FHAB O=C(Nc1ccc(-n2cc(Cl)cn2)cc1)c1ccc2c(c1)OCCO2 28306398 KWPRRCYCJMBOIG-UHFFFAOYSA-N 355.781 3.549 0 40 FHAB O=C(Nc1ccc(-n2cccn2)nc1)c1csc(-c2ccsc2)n1 29198554 IUTDCEAICJBYIB-UHFFFAOYSA-N 353.432 3.705 0 40 FHAB O=C(OCc1nnsc1Cl)c1ccc(C(=O)c2ccccc2)cc1 32776000 FUCRYXYZBRTZRQ-UHFFFAOYSA-N 358.806 3.780 0 40 FHAB COc1ccc2c(C)c(CCC(=O)Nc3ccncc3Cl)c(=O)oc2c1 32879903 YVCHPOLPEJJMIO-UHFFFAOYSA-N 372.808 3.730 0 40 FHAB O=C([C@@H]1Cc2ccccc2S1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 32882922 WJSVSQNNHJUZLY-KXBFYZLASA-N 363.486 3.986 0 40 FHAB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Br)c1O 33293545 OZVIKSJWZUMBJW-YRNVUSSQSA-N 372.240 3.610 0 40 FHAB COC(=O)c1cc(Br)c(OCc2ccccc2)cc1OC 39951727 INNHZNYXHMIODB-UHFFFAOYSA-N 351.196 3.823 0 40 FHAB C[C@H](c1ccccc1)N(C)C(=O)NCc1ccccc1CN1CCCC1=O 40069074 BAENWBSUDVTFNG-QGZVFWFLSA-N 365.477 3.712 0 40 FHAB CC[C@H](NC(=O)N1CCN(c2nccs2)CC1)c1cccc(Cl)c1 46041085 SGLQTKLDOATKFE-HNNXBMFYSA-N 364.902 3.779 0 40 FHAB Cc1nc(C(=O)N(C)CCCCc2ccccc2)nn1-c1ccc(F)cc1 46634115 RCVMEKLFEZURRS-UHFFFAOYSA-N 366.440 3.810 0 40 FHAB CCc1nc2ccccc2n1CC(=O)Nc1cccc(Cl)c1N(C)C 48236027 HBVKXFJAQTXYKQ-UHFFFAOYSA-N 356.857 3.957 0 40 FHAB COc1cc(NC(=O)[C@H](C)Sc2nc3ccccc3[nH]2)cc(OC)c1 48263269 CCPGSYNOBYJSHP-NSHDSACASA-N 357.435 3.699 0 40 FHAB C[C@H](NC(=O)c1csc(-c2ccccc2)n1)c1ccc2c(c1)CC(=O)N2 48331467 HGJRQQWUGPLXPZ-LBPRGKRZSA-N 363.442 3.796 0 40 FHAB COC(=O)c1ccc(-c2nc(CSc3nncn3C3CC3)cs2)cc1 50247802 MLSYSKRREZFGOR-UHFFFAOYSA-N 372.475 3.815 0 40 FHAB Cc1cc(Br)c(S(=O)(=O)N2CCCC[C@H]2C)cc1Cl 54363161 MEQALOPYKNEAPJ-SNVBAGLBSA-N 366.708 3.974 0 40 FHAB O=C(NCCc1nnc2n1CCCCC2)c1cc2c(s1)CCCCCC2 54450869 ZXZFWKTVISVIEP-UHFFFAOYSA-N 372.538 3.698 0 40 FHAB O=C(c1cc2ccccc2oc1=O)N1CCC(COc2ccccc2)CC1 55423500 PFNNUIZOOJLYKK-UHFFFAOYSA-N 363.413 3.724 0 40 FHAB Cc1cc(CNC(=O)CCc2c(C)nn(C)c2C)c2[nH]c(C)c(C)c2c1 58061479 MCLXXXUTEZSVTB-UHFFFAOYSA-N 352.482 3.693 0 40 FHAB CC(C)[C@@H](NC(=O)Nc1ccc(OCC(=O)N(C)C)cc1)c1ccccc1 58145090 QQVOHSFJUIZNJC-HXUWFJFHSA-N 369.465 3.672 0 40 FHAB O=C(Nc1ccn(Cc2ccccn2)n1)c1c2c(nc3ccccc13)CCC2 58201360 LZGLUWQZFQQQGO-UHFFFAOYSA-N 369.428 3.616 0 40 FHAB Cc1nc(C2(NC(=O)CCC(=O)c3ccccc3)CCCCCC2)no1 58209225 OKTHEOIDSLHHHW-UHFFFAOYSA-N 355.438 3.707 0 40 FHAB Cc1nnc2ccc(C(=O)Nc3nc(-c4c[nH]c5ccccc45)cs3)cn12 58218535 XYBGXONPJRUVAT-UHFFFAOYSA-N 374.429 3.895 0 40 FHAB COc1ccc(NC(=O)c2ccc(NC(=O)NCc3ccoc3)cc2)cc1 58281236 QIQARYMZBGFYJG-UHFFFAOYSA-N 365.389 3.862 0 40 FHAB COc1cc(NC(=S)Nc2cc(C)ccc2F)cc(OC)c1OC 65695369 DJELZCVYROWUOQ-UHFFFAOYSA-N 350.415 3.969 0 40 FHAB Cc1nc(-c2ncccn2)sc1C(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 65815215 NKTHXBMGTQBMJJ-DGKWVBSXSA-N 354.479 3.559 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2NCC(C)C)cc1 72213264 QLWSIXIMZISGDK-IBGZPJMESA-N 373.522 3.984 0 40 FHAB Cc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)c4cc[nH]n4)C3)n2)c1 72349797 HZDULTDIULLPRJ-GOSISDBHSA-N 360.461 3.724 0 40 FHAB COc1ccccc1-c1nccnc1[C@@H]1CCCN(C(=O)c2cccnc2)C1 72358703 JBNDIMCUWGIUEM-QGZVFWFLSA-N 374.444 3.567 0 40 FHAB O=C(CN1CCCCC[C@@H]1C[C@H](O)c1ccccc1)NCc1cccs1 75107791 XWEQHUNSEYXIGS-QUCCMNQESA-N 372.534 3.733 0 40 FHAB C[C@H](CC[S@](C)=O)NCc1cc(Cl)ccc1OCc1cccnc1 75110416 FLIAMOHAZDJUPX-JBEBIEQOSA-N 366.914 3.561 0 40 FHAB CCCOc1c(Cl)cc(/C=C/C(=O)N(C[C@@H](C)O)C(C)C)cc1OC 84756743 VMFFEZLLKYSAMR-HSBSLETESA-N 369.889 3.768 0 40 FHAB CS(=O)(=O)c1ccc(-c2csc(-c3cccc(C(=O)O)c3)n2)cc1 89490116 GYQWKJXBHRSTMF-UHFFFAOYSA-N 359.428 3.579 0 40 FHAB Cn1ccnc1-c1sc(NC(=O)Cc2ccco2)nc1-c1ccccc1 89761490 PIFUDBMUTQLJLG-UHFFFAOYSA-N 364.430 3.985 0 40 FHAB CO[C@@](C)(CNC(=O)NCc1ccc(F)cc1)c1cccc(Cl)c1 96393257 VFSAOOWXMOODGM-SFHVURJKSA-N 350.821 3.840 0 40 FHAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(Br)cc1)OC2=O 100260788 XCUNTGVGLLEZPR-HOTGVXAUSA-N 352.228 3.510 0 40 FHAB CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C2CCCCC2)CC1 100750028 MEZNJWCOFVCNMG-UEXGIBASSA-N 371.525 3.762 0 40 FHAB CCOC(=O)c1s/c(=N/C(=O)c2ccccc2)n(-c2ccccc2)c1C 102632668 GABZGJVQWRQJME-QZQOTICOSA-N 366.442 3.765 0 40 FHAB O=C1COc2ccc(C(=O)N[C@H](c3ccc(Cl)cc3)C3CCC3)cc2N1 104462690 FNGSYGGLBRFIEW-IBGZPJMESA-N 370.836 3.942 0 40 FHAB C[C@H](OC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1ccc(N2CCCC2)cc1 107329651 HLXAYUZZDRXEEX-XLAORIBOSA-N 370.493 3.983 0 40 FHAB CCCCN(C)C(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc(O)cc1 199425574 YAKWRZGBROHRIN-NRFANRHFSA-N 352.478 3.578 0 40 FHAB CCCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCCc1ccccc1 222753180 RHNDNZZUQMAELV-GOSISDBHSA-N 352.478 3.563 0 40 FHAB O=S(=O)(Cc1cccc(Cl)c1)NCc1cccc(C(F)(F)F)c1 223474395 UZFNRLMJXHBQLA-UHFFFAOYSA-N 363.788 3.978 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C 224740639 IFXRIRNVCUPXKS-IBGZPJMESA-N 366.505 3.789 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C 224879584 YOUFJRPOANTREN-KRWDZBQOSA-N 370.468 3.620 0 40 FHAB CCn1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3ccccc3C)ccc21 225107259 LEXHILPCMRLHEO-CYBMUJFWSA-N 356.447 3.797 0 40 FHAB CCOC(=O)c1cc(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)ccc1Cl 225323750 VCODTTBSGKYZEP-RWSFTLGLSA-N 352.887 3.992 0 40 FHAB COc1ccc(NC(=O)c2ccc(O[C@H]3CCSC3)nc2)cc1Cl 225714961 HVUSLNWZEXVLBQ-ZDUSSCGKSA-N 364.854 3.880 0 40 FHAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCOC)nc1C 225907350 UASSZXCNIQOTIZ-LJQANCHMSA-N 352.475 3.729 0 40 FHAB CCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCC(C)CC1 226277168 KKAJBRSGLSPPPM-UHFFFAOYSA-N 372.387 3.625 0 40 FHAB CC(C)Sc1ccc(CC(=O)N2[C@H]3CC[C@H]2CC(n2nccn2)C3)cc1 238864235 LJXKPPCSKYTGAX-IRXDYDNUSA-N 370.522 3.716 0 40 FHAB Cc1ncoc1C(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]21 257341079 ZITRBKCBNOQVKC-LFEHRJTNSA-N 368.433 3.515 0 40 FHAB COCCn1ccnc1[C@H]1CN(Cc2ccc(F)cc2)Cc2ccccc21 306133674 MSMZEESRXCHWMF-NRFANRHFSA-N 365.452 3.816 0 40 FHAB C[C@H](NS(=O)(=O)CC1CCCCC1)c1nc2ccccc2n1C(F)F 331945559 NKMKVWALBRXNGX-LBPRGKRZSA-N 371.453 3.992 0 40 FHAB CC(F)(F)[C@@]1(O)CC(c2ccc(Cl)cc2)=NN1C(=O)c1ccccc1 409003356 SCRPNKQCFCJSRG-SFHVURJKSA-N 364.779 3.934 0 40 FHAB CCCN1C(=O)N/C(=C/c2ccccc2OCc2ccc(F)cc2)C1=O 409238678 LNCIIYNVOMKHIV-SFQUDFHCSA-N 354.381 3.707 0 40 FHAB CC(C)OC[C@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)o2)CCO1 547786227 KAPDQRSAEBQQRH-CQSZACIVSA-N 363.841 3.866 0 40 FHAB Fc1cc(Cl)ccc1-c1nnc(N2CCCC2)n1C[C@H]1CCCCO1 550029662 YBZPDFMFJOVJHF-CQSZACIVSA-N 364.852 3.907 0 40 FHAB Cc1cc(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)ccn1 576069761 HQTVTCLOVZHDDK-UHFFFAOYSA-N 364.474 3.928 0 40 FHAB CSc1ccccc1NC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O 585172454 OFEQHMGTBDZZCU-UHFFFAOYSA-N 365.458 3.579 0 40 FHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCO[C@@H]2CCC[C@H]21 620432676 SMVBWVFHEDUJHT-ZIAGYGMSSA-N 364.804 3.836 0 40 FHAB c1cc2sc(N3CCC(COc4ccc(C5CC5)nn4)CC3)nc2cn1 1775969285 IWEMZLREVPVZLM-UHFFFAOYSA-N 367.478 3.654 0 40 FHAB Cc1nc(C)c(CN2CCN(c3ccc(-c4ccccc4)nn3)CC2)s1 1775974653 KTYPGSPQWORRJL-UHFFFAOYSA-N 365.506 3.539 0 40 FHAB COc1ccc(Cl)cc1NC(=O)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1775975751 NEAJVJBIONRMOK-KBPBESRZSA-N 360.845 3.945 0 40 FHAB CCC1=NN(C(=O)c2cccc(Cl)c2)[C@](O)(c2ccc(OC)cc2)C1 715027 ACNABPRSIWWORT-LJQANCHMSA-N 358.825 3.806 0 40 FHAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 806740 CVNMKAZQYMQZGT-INIZCTEOSA-N 352.434 3.694 0 40 FHAB CCNC(=S)N(Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 879521 CWWOMUGPMFBYJJ-UHFFFAOYSA-N 373.522 3.566 0 40 FHAB Cc1cc(C)c2c3c(oc2n1)C(=O)N(c1cccc(Cl)c1)CC(=O)N3 1036538 MASUZEIZYCBPHY-UHFFFAOYSA-N 355.781 3.697 0 40 FHAB Cc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCC(C)CC2)cc1 1330593 VNONSUKWQUTRDV-OAQYLSRUSA-N 361.493 3.851 0 40 FHAB O=C(c1ccc(Cl)cc1)C1CCN(C(=S)NCc2ccco2)CC1 1336948 IFVMQZGUBAOQIU-UHFFFAOYSA-N 362.882 3.902 0 40 FHAB OCCNc1ncnc2scc(-c3ccc(Br)cc3)c12 2322500 DFVARRDBHLIANX-UHFFFAOYSA-N 350.241 3.525 0 40 FHAB C[C@H](C(=O)c1ccccc1)[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21 2501821 HNJKBZFXEQRSDP-OSPHWJPCSA-N 371.436 3.940 0 40 FHAB CCN(CC)c1ccc(C(=O)OCc2nnc(-c3ccccc3)o2)cc1 2643167 BTDJKUJXTXELOS-UHFFFAOYSA-N 351.406 3.940 0 40 FHAB COc1ccccc1NC(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1 3255037 MBAKVZKACHKEEY-UHFFFAOYSA-N 371.408 3.828 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(Br)cc1 3317172 YKBARKIPZPMPJA-GFCCVEGCSA-N 374.234 3.584 0 40 FHAB Cc1cc(C)cc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c1 3317702 ITLVXKODXVFREV-UHFFFAOYSA-N 358.747 3.776 0 40 FHAB O=C(COc1ccc2ccccc2c1)NC[C@H](c1ccco1)N1CCCC1 3324617 LYQOBJVZSKNJTL-HXUWFJFHSA-N 364.445 3.765 0 40 FHAB CCNC(=O)COc1ccc(/C=C/c2nc3ccccc3s2)cc1OC 5130156 YGQGBNVKDQTDKC-PKNBQFBNSA-N 368.458 3.990 0 40 FHAB COC(=O)[C@@H](NC(=O)Nc1cccc(-c2nc3ccccc3o2)c1)C(C)C 5205163 DINVGHQYCWTHBT-KRWDZBQOSA-N 367.405 3.814 0 40 FHAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NC1CCCCC1 5557855 YAEBGIULNJPGHR-HXUWFJFHSA-N 350.462 3.997 0 40 FHAB CCOC(=O)C1=C(C)Oc2cc3c(cc2[C@H]1c1ccc(OC)cc1)OCO3 5663539 RZBWFPVZIUJPKV-HXUWFJFHSA-N 368.385 3.785 0 40 FHAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)CCC2 5979487 UULOGSONLBGVJO-UHFFFAOYSA-N 363.335 3.990 0 40 FHAB CCc1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)n[nH]2)cc1 6171291 HRECSJZXYRFOJP-UHFFFAOYSA-N 368.462 3.774 0 40 FHAB CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 6432742 JMUKEKXIKOMYBT-UHFFFAOYSA-N 373.884 3.664 0 40 FHAB CC[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1 6934091 IDDFQDMJDUKMSN-NSHDSACASA-N 360.298 3.940 0 40 FHAB CCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc(Cl)cc1 8090018 LVSQUPXZMOSHOC-UHFFFAOYSA-N 364.902 3.723 0 40 FHAB COc1ccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1OC(F)F 8179718 JXSLLPGHPHJFQL-JYRVWZFOSA-N 363.291 3.780 0 40 FHAB CC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 8312693 AWPRKJPAWBGNCQ-UHFFFAOYSA-N 352.390 3.939 0 40 FHAB C[C@H](Sc1nnc2c(Cl)cc(Cl)cn12)C(=O)N1CCCCCC1 8778276 KFJYAJFYIKTOBV-JTQLQIEISA-N 373.309 3.919 0 40 FHAB CCc1ccc(-c2nnn(Cc3cc(-c4ccc(OC)cc4)no3)n2)cc1 8851026 XYXFFTOFIDQUTN-UHFFFAOYSA-N 361.405 3.614 0 40 FHAB Cc1ccc(C(=O)OCc2nc(N)c3c4c(sc3n2)CCCCC4)o1 9465983 MUMQGWFNIVBVLP-UHFFFAOYSA-N 357.435 3.801 0 40 FHAB O=C(Nc1nccs1)c1cn(Cc2ccccc2)nc1-c1cccnc1 9549877 KUSKYSIHXPTVME-UHFFFAOYSA-N 361.430 3.702 0 40 FHAB COc1ccccc1CNC(=O)CSc1nnc(C)n1C1CCCCC1 10032117 IVIBRNFAGYZRSG-UHFFFAOYSA-N 374.510 3.509 0 40 FHAB CNC(=O)c1ccc(NC(=O)CNc2ccccc2-c2ccccc2)cc1 10185958 KDHWAWFQROTHCJ-UHFFFAOYSA-N 359.429 3.764 0 40 FHAB CCOc1cccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1 10294223 HJYYMPUDEDUNTK-ZRDIBKRKSA-N 357.406 3.763 0 40 FHAB CC(=O)Nc1cccc(NC(=O)Cc2cc(-c3ccc(F)cc3)on2)c1 11693170 ARLPSWQQFIKUDP-UHFFFAOYSA-N 353.353 3.620 0 40 FHAB Cc1nc(/C=C/C(=O)O[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cs1 11941956 CNNQACRYQWMEDS-OTQAPUNGSA-N 368.817 3.828 0 40 FHAB CCc1ncc(CN2CCC(c3nc4ccc(F)cc4cc3N)CC2)cn1 12087927 WQMLTBCKTZYWSS-UHFFFAOYSA-N 365.456 3.688 0 40 FHAB C[C@@H]1CCc2noc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)c2C1 12119827 VDEVCHFCAOWCSU-CQSZACIVSA-N 356.441 3.887 0 40 FHAB O=C(O)c1cccc(Cn2c(S)nnc2-c2ccc3ccccc3n2)c1 12408241 QHANQUAWTXMZOZ-UHFFFAOYSA-N 362.414 3.529 0 40 FHAB O=C(CCCNC(=O)c1ccco1)Nc1ccc(Cl)c2ncccc12 12526698 CHIJXXPZXUIJML-UHFFFAOYSA-N 357.797 3.630 0 40 FHAB CCn1c(-c2ccccc2)cs/c1=N\c1ccc(S(=O)(=O)O)cc1 12558713 BVQGWRSKFRSMFC-ZCXUNETKSA-N 360.460 3.716 0 40 FHAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)OC/C=C/c1ccccc1 12771797 PISAZLAOCBMNCW-QPJJXVBHSA-N 352.386 3.677 0 40 FHAB Cc1cccc(NC(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)c1C 12906060 WYKUSAGBXRUAQA-SFHVURJKSA-N 365.477 3.593 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)N1CC=C(c2ccccc2)CC1 12973773 UFEHXLVBJFNGKN-UHFFFAOYSA-N 365.429 3.593 0 40 FHAB CC(=O)c1ccc(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)s1 13003971 HHSOAUGPDKRYOC-CQSZACIVSA-N 350.871 3.637 0 40 FHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)C3CC3)cc2n1 13225456 DEHMTVRIOLJIHM-ZDUSSCGKSA-N 352.360 3.520 0 40 FHAB O=C(c1cccc(Oc2ncccn2)c1)N1CCc2ncc(Cl)cc2C1 13265931 ZSMNXECKLURFGC-UHFFFAOYSA-N 366.808 3.516 0 40 FHAB Cc1nc(-c2ccsc2)sc1C(=O)O[C@@H](C)C(=O)NC1CCCC1 14234672 WERARYWWZVPOLK-NSHDSACASA-N 364.492 3.784 0 40 FHAB C[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 15197324 JSJMMKKXUPCDIX-SRXBQZRASA-N 363.866 3.634 0 40 FHAB CCn1cc([C@H](NC(=O)[C@H]2CCCO2)c2ccc(F)cc2)c2ccncc21 19524818 ISAPSUPEMRELOD-WOJBJXKFSA-N 367.424 3.580 0 40 FHAB Cc1cccc2c(C(=O)N(C)CC3(C)COC3)cc(-c3cccnc3)nc12 19664529 NPKIBOPXLBOXNW-UHFFFAOYSA-N 361.445 3.714 0 40 FHAB CCCN1CCc2c(sc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)C1 19690822 PTDXTSJDRKXOKU-UHFFFAOYSA-N 357.504 3.878 0 40 FHAB CCCCc1nnc2n1N1C(=CS[C@@H]1c1ccc(C(=O)O)cc1)S2 20719791 WFBRIHZGLAGAIZ-CQSZACIVSA-N 360.464 3.607 0 40 FHAB COc1ccc(-c2cc(CN3CCN(Cc4ccccc4)CC3)on2)cc1 22932112 IUXYVTDDXWWPIK-UHFFFAOYSA-N 363.461 3.668 0 40 FHAB Cc1sc2ncn(CCC(=O)N[C@H](C)CCCC(C)C)c(=O)c2c1C 23395766 ZZVSSKLWNYFJSC-CYBMUJFWSA-N 363.527 3.796 0 40 FHAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NOCc1ccccc1 25035441 WRSFMURZRBATQT-OAQYLSRUSA-N 374.440 3.796 0 40 FHAB Cc1ccnc(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)c1 27648242 AFUORNLBAINMMN-UHFFFAOYSA-N 370.412 3.650 0 40 FHAB Cc1cc(NC(=O)C2CCN(Cc3ccccc3C(F)(F)F)CC2)no1 28142291 XEOJILBKKCDTLG-UHFFFAOYSA-N 367.371 3.853 0 40 FHAB Cc1c2c(=O)n(-c3nc4ccccc4s3)[nH]c2cc(=O)n1C1CCCC1 30822903 ITDOMZFQYMZDSW-UHFFFAOYSA-N 366.446 3.514 0 40 FHAB C[C@H]1CCCC[C@]12NC(=O)N(Cc1ccc(Cl)c3cccnc13)C2=O 31645191 QZIMPHNSKJHCOZ-BUXKBTBVSA-N 357.841 3.889 0 40 FHAB CCn1c(SCCC(=O)NCc2ccccc2Cl)nnc1C1CC1 31756256 KAWXIJASKABDFL-UHFFFAOYSA-N 364.902 3.627 0 40 FHAB O=C(Cn1ccc2ccc(F)cc21)NCCc1c[nH]c2ccc(F)cc12 32073739 VYBFAXFPPKRFFT-UHFFFAOYSA-N 353.372 3.760 0 40 FHAB CCN1C[C@@H](CN(C)Cc2nc(-c3cccs3)no2)Oc2ccccc21 32797330 CAVOWADEKOAKRX-CQSZACIVSA-N 370.478 3.517 0 40 FHAB Cc1nc(CC(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cs1 32869006 QABIVMCBMCWIHO-UHFFFAOYSA-N 357.460 3.691 0 40 FHAB C[C@H](OC(=O)[C@@H]1COc2ccccc2O1)C(=O)C12CC3CC(CC(C3)C1)C2 32940091 KNKUOCYDGDQSEX-GEWFPCITSA-N 370.445 3.544 0 40 FHAB COCc1cccc(C(=O)NCCCc2cn(-c3ccccc3)nc2C)c1 36397860 YPARQVONZWRHHR-UHFFFAOYSA-N 363.461 3.690 0 40 FHAB CN(C)C(=O)c1ccc(OC(=O)Cc2csc(-c3cccs3)n2)cc1 41860809 MTCZMROYKQNKAB-UHFFFAOYSA-N 372.471 3.722 0 40 FHAB O=C(NCc1cccc(Cl)c1)Nc1ccc(-c2nnnn2C2CC2)cc1 44016773 GZHYDABHKNWIOL-UHFFFAOYSA-N 368.828 3.650 0 40 FHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCc2ccccc2-n2ccnc2)c1 44901936 TTWOFPAWYKTEST-SFHVURJKSA-N 363.461 3.881 0 40 FHAB COc1cc(C)ccc1Oc1ccc(NC(=O)N2CCSCC2)cn1 48239191 MVDHIZNMJCTUQZ-UHFFFAOYSA-N 359.451 3.772 0 40 FHAB CCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cc(C)sc2C)c1 48355017 JDGOCPKGVKODBL-UHFFFAOYSA-N 352.481 3.823 0 40 FHAB O=C(Nc1cccc2ccc(-n3ccnc3)nc12)c1ccc2nsnc2c1 49028085 VTTZAFXSHOXVSH-UHFFFAOYSA-N 372.413 3.678 0 40 FHAB CN(c1ccccc1)C1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 50076760 GWVXZWMEPAVMBY-UHFFFAOYSA-N 353.422 3.548 0 40 FHAB COc1ccc(Cl)cc1-n1nnc(C(=O)NCCC2=CCCCC2)c1C 51317548 JOQKFRUZTXCPBS-UHFFFAOYSA-N 374.872 3.858 0 40 FHAB Cc1nc(C)c([C@H](C)NC(=O)NCc2cccc(CN3CCCC3)c2)s1 57285355 QOSMONCHVBIBKX-HNNXBMFYSA-N 372.538 3.916 0 40 FHAB CC[C@@H]1CCCCN1C(=O)Cn1c(-c2cccc(Cl)c2)nc(C)cc1=O 57526743 UFIDOEYGKKVNLV-QGZVFWFLSA-N 373.884 3.663 0 40 FHAB CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1n[nH]c(O)n1 58158302 AYAOWUWLNJYTES-UHFFFAOYSA-N 357.241 3.506 0 40 FHAB COc1cccc(Oc2nccnc2[C@H]2CCCN(C(=O)C(C)C)C2)c1 72361917 ZGCSVONXAJZLPD-HNNXBMFYSA-N 355.438 3.640 0 40 FHAB COc1ccc([C@H]2CC(O)=Nc3c2cnn3Cc2ccco2)c(OC)c1 72402741 QPCRBXIBUHNABH-OAHLLOKOSA-N 353.378 3.665 0 40 FHAB CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)Nc1nncs1 72403253 VQPQIMLQYRMIEF-NSHDSACASA-N 372.277 3.995 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H]1CNCc1cccc(Br)c1 83264808 CQAFCJUKRLQFIK-HNNXBMFYSA-N 369.303 3.938 0 40 FHAB CC(C)=C[C@H]1[C@H](C(=O)NCc2ccc(OCC(F)(F)F)nc2)C1(C)C 84671019 BXEZQUIAXZJBKE-DZGCQCFKSA-N 356.388 3.877 0 40 FHAB CC(C)c1nc2n(n1)C[C@@H](NCc1c(Cl)cccc1N1CCCC1)CC2 89893736 ZLPNXMSSRCDJJT-HNNXBMFYSA-N 373.932 3.760 0 40 FHAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1cccc2ncccc12 95377606 YXFQRUQRGNXXCF-OAHLLOKOSA-N 369.465 3.754 0 40 FHAB O=C(Nc1ccccc1)c1ccc(NC(=O)c2ccnc(C3CC3)n2)cc1 95958399 XQIYLJPSCXBWEJ-UHFFFAOYSA-N 358.401 3.859 0 40 FHAB COc1nc2ccccc2cc1CN1CCN(C(=O)C(C)(C)C)CC1(C)C 95997179 OBDPCGDGWXSKKO-UHFFFAOYSA-N 369.509 3.712 0 40 FHAB Cc1c(-c2nnc3sc(CCN4CCCCC4)nn23)oc2ccccc12 96194446 WKCHABVRRAFZRM-UHFFFAOYSA-N 367.478 3.936 0 40 FHAB O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)Nc1cccc(F)c1 96583561 IGPGCXJXOTYNSH-OQLLNIDSSA-N 356.378 3.501 0 40 FHAB Brc1ccccc1CN1CCN(C[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 101110955 FPFAVNASDIGYQB-BQFCYCMXSA-N 361.327 3.779 0 40 FHAB CCc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3c3ccc(F)c(Cl)c3)C2=O)cc1 101261213 SVLZSRCPZWECJR-CVEARBPZSA-N 372.787 3.539 0 40 FHAB CC(=O)N1CC[C@@]2(C(=O)Nc3ccccc3Oc3ccccc3)C[C@@H]2C1 101427206 MDJUPVYZDWPOOU-IIBYNOLFSA-N 350.418 3.676 0 40 FHAB CCCCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 199425634 LKPCVPNHICTJLR-OAQYLSRUSA-N 361.445 3.629 0 40 FHAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl 222436464 RWNHFXJPQBPUBU-MRXNPFEDSA-N 372.896 3.744 0 40 FHAB COc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccc(C)cc3)s2)cc1 223529878 RYGZAMMOABNABX-ZDUSSCGKSA-N 369.446 3.928 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSc1ccccc1 224632060 SNNTWBRUVWWECF-QGZVFWFLSA-N 370.518 3.722 0 40 FHAB CCCC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC1CCCC1 224670946 GXJYTFJUCMCIBT-CQSZACIVSA-N 350.890 3.916 0 40 FHAB COc1cccc(-c2noc(CNC(=S)Nc3cccc(Cl)c3)n2)c1 225821822 SEGWOZGWNWBCDJ-UHFFFAOYSA-N 374.853 3.885 0 40 FHAB Cc1cc(C)cc(C(=O)N2CC3(C[C@@H](OCc4ccncc4)CS3)C2)c1 247860895 GDRSMMPCHLGAKC-LJQANCHMSA-N 368.502 3.615 0 40 FHAB Cc1nc(Nc2nc(C)c(C)s2)cc([C@@H]2CCN(C(=O)CC(C)C)C2)n1 257340906 ZIAHYVGTKCPKPT-OAHLLOKOSA-N 373.526 3.964 0 40 FHAB Cc1cc([C@H]2CCCN(C(=O)N[C@H](C)c3cn(C(C)(C)C)nc3C)C2)[nH]n1 282785783 PFLMNFKCQHZJSW-ZBFHGGJFSA-N 372.517 3.628 0 40 FHAB COc1ccc(-c2ccc(OC(=O)c3ccc(F)cc3)nn2)cc1OC 408534251 UMYFQLDTJLRHEW-UHFFFAOYSA-N 354.337 3.519 0 40 FHAB CCc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 408707625 LARWDHUHQICUNG-QGZVFWFLSA-N 370.880 3.880 0 40 FHAB Cc1ccc(Cc2nc(C(=O)N[C@@H]3CCOC4(CCC4)C3)cs2)cc1 534335394 WASUCLYHKWFHLD-MRXNPFEDSA-N 356.491 3.874 0 40 FHAB CS(=O)(=O)Nc1ccc(-c2noc([C@H](c3ccccc3)C3CC3)n2)cc1 544108592 PIVQHNSAZKTHDJ-QGZVFWFLSA-N 369.446 3.650 0 40 FHAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](Oc2ccncc2)C1 575604789 BHYDIPOPZWQXLI-MRXNPFEDSA-N 350.340 3.784 0 40 FHAB O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccccc3F)N2C(=O)c2ccccc2)N1 585261222 PLWBUXUXRNGBCX-AABGKKOBSA-N 366.436 3.840 0 40 FHAB c1ccc(-c2cnc(Nc3cc(C[C@@H]4CNCCOC4)ccn3)s2)cc1 585263248 RWZDNNJIFUINQI-MRXNPFEDSA-N 366.490 3.727 0 40 FHAB Cn1ccnc1[C@@H](Cc1ccccc1)NCc1ccc(-n2ccnc2)cc1 1179070841 AWFPYVZFAJSQGP-OAQYLSRUSA-N 357.461 3.679 0 40 FHAB Cc1nccn1CC1CN(C(=O)c2cccc(Oc3ccc(F)cc3)c2)C1 1889269658 KZOQHDXMEXHPQV-UHFFFAOYSA-N 365.408 3.895 0 40 FHAB Cc1sc2nc(SCc3ccc(Cl)cc3)n(N)c(=O)c2c1C 642592 HXXHTPZGBTUORJ-UHFFFAOYSA-N 351.884 3.734 0 40 FHAB CN(C)C(=O)N[C@H](Sc1nc2ccccc2o1)C(Cl)(Cl)Cl 828160 QVYYSRZPBYXUSU-SECBINFHSA-N 368.673 3.887 0 40 FHAB Cc1nnc(SCC(=O)Nc2ccccc2)n1CCc1ccccc1 891374 OZWREHMIMBUIBW-UHFFFAOYSA-N 352.463 3.560 0 40 FHAB CCOC(=O)CCc1c(C)c2ccc(OCC(=O)C(C)(C)C)cc2oc1=O 2092899 DDKPLNZGUOAZNW-UHFFFAOYSA-N 374.433 3.591 0 40 FHAB biogenic Cc1cccc(C(=O)Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1 2308369 RZOOQAHXNYPUTM-UHFFFAOYSA-N 355.397 3.756 0 40 FHAB Cc1onc(-c2ccccc2)c1-c1nc(CSc2cccc[n+]2[O-])no1 2387791 VCTKARMMKDFQLX-UHFFFAOYSA-N 366.402 3.626 0 40 FHAB O=C1C[C@@H](c2cccc(Br)c2)c2cc3c(cc2N1)OCCO3 2602264 CWEJJALEUQZUMV-LBPRGKRZSA-N 360.207 3.694 0 40 FHAB C[C@@H]1CN(C(=O)[C@@H](C)OC(=O)c2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 2641215 WJRSNCVRIYLUSS-BRWVUGGUSA-N 367.445 3.535 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccccc3o2)c1C 2657533 UGBGWBOXINDNIW-UHFFFAOYSA-N 358.419 3.924 0 40 FHAB O=C(NCCSc1c[nH]c2ccccc12)c1cc2ccccc2oc1=O 2721012 ATVXFRPVOBBPCC-UHFFFAOYSA-N 364.426 3.796 0 40 FHAB O=C(COC(=O)/C=C/c1cccc(Cl)c1)Nc1c(F)cccc1F 3225102 ZMKMVQDWDXAFEK-BQYQJAHWSA-N 351.736 3.813 0 40 FHAB O=C(Cc1coc2ccc3ccccc3c12)Nc1ccc(-n2cnnn2)cc1 3435228 WHXLFQINSDLCLO-UHFFFAOYSA-N 369.384 3.743 0 40 FHAB O=C(c1ccc(Cl)s1)N1CCN(c2nc3ccccc3s2)CC1 4088282 KWSWBTQEYVUUNE-UHFFFAOYSA-N 363.895 3.974 0 40 FHAB CC(=O)NCCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1 4385686 XIDTZDFGQQMGHK-UHFFFAOYSA-N 371.868 3.837 0 40 FHAB CCOc1ccc(NC(=O)C[C@@H]2SC(Nc3ccccc3)=NC2=O)cc1 4599058 TWFRHGMYTCVQKF-INIZCTEOSA-N 369.446 3.524 0 40 FHAB Cc1c(CC(=O)O)c(=O)oc2cc(OCc3ccccc3Cl)ccc12 5047241 JQZQYTZIWFFSMH-UHFFFAOYSA-N 358.777 3.961 0 40 FHAB Cc1cccc(OCC(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)c1 5099493 DFUQVMVILJKNRV-UHFFFAOYSA-N 366.461 3.948 0 40 FHAB O=C(Nc1ccc(F)cc1F)c1cccn(Cc2ccc(F)cc2)c1=O 5268986 ISVHYUZGDCAFQG-UHFFFAOYSA-N 358.319 3.566 0 40 FHAB COc1ccc(F)cc1C(=O)COC(=O)Cc1cccc2ccccc12 5713824 FKDOMUOUQCNYGX-UHFFFAOYSA-N 352.361 3.956 0 40 FHAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(Cl)c1Cl 5786320 MPCBCGOEIPBVBW-AWEZNQCLSA-N 372.321 3.655 0 40 FHAB Cn1c(SCc2cc(Cl)cc3c2OCOC3)nnc1-c1ccco1 5863778 BATSYFTVJJTSCN-UHFFFAOYSA-N 363.826 3.887 0 40 FHAB CCOC(=O)c1ccc(-c2c(O)c3cc(CC)c(OC)cc3oc2=O)o1 5908529 PRJMXDUROWQFSX-UHFFFAOYSA-N 358.346 3.506 0 40 FHAB biogenic COc1cc(C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OC(F)F 6336400 AYKQPZPHEGCVLW-UHFFFAOYSA-N 350.321 3.507 0 40 FHAB CC(C)Cn1nc(C(=O)NCc2cccc(Cl)c2)c2ccccc2c1=O 6377503 ZXRRFIRNHGNFCX-UHFFFAOYSA-N 369.852 3.636 0 40 FHAB COc1ccccc1-n1cnnc1SCc1nc(-c2ccccc2)no1 6534851 UDGKFFWAEOQPCZ-UHFFFAOYSA-N 365.418 3.618 0 40 FHAB Cc1ccc(C(=O)Oc2ccc3c(c2)OCO3)cc1NC(=O)c1ccco1 6948186 QOVIRRDCXBCTSR-UHFFFAOYSA-N 365.341 3.788 0 40 FHAB CC1CCN(c2ccc(NC(=O)CSc3nnc(C4CC4)o3)cc2)CC1 7290304 PIOWNKTVPLUDAZ-UHFFFAOYSA-N 372.494 3.914 0 40 FHAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(Oc3ccccc3)cc1)CS2 7670087 QLIYJMJVPOGRCY-PXNSSMCTSA-N 368.458 3.871 0 40 FHAB CCCCc1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 8316577 QPOUKDGGCNCPGS-UHFFFAOYSA-N 366.870 3.582 0 40 FHAB CNC(=O)c1cccc(NC(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)c1 8338524 PPGLPMHBGSMPSD-CQSZACIVSA-N 362.429 3.950 0 40 FHAB COc1cc(CNCCO)ccc1OCc1c(Cl)cccc1Cl 8471289 KVNZPGQWNZVHBF-UHFFFAOYSA-N 356.249 3.663 0 40 FHAB O=S(=O)(Nc1cc2c(cc1Cl)OCCO2)c1ccccc1Cl 8877645 FXTJYMWOUPGDGA-UHFFFAOYSA-N 360.218 3.565 0 40 FHAB COc1cc(NC(=O)C[C@@H](C(=O)O)c2ccccc2)c(OC)cc1Cl 8986843 COQNVEGWAWOKJQ-GFCCVEGCSA-N 363.797 3.554 0 40 FHAB O=c1cc(CSc2nc3ccccc3o2)nc(Nc2ccccc2)[nH]1 9264637 WVWZNQIUSUYBLX-UHFFFAOYSA-N 350.403 3.947 0 40 FHAB Cc1ccc2nc(CSc3nccn3Cc3ccccc3)cc(=O)n2c1 9366941 LYQFALMCWXLREP-UHFFFAOYSA-N 362.458 3.540 0 40 FHAB CC(=O)N(c1cccc(C)c1)c1nc(CSc2nnc(C)[nH]2)cs1 11702743 UMYNBKYJOMXEIQ-UHFFFAOYSA-N 359.480 3.855 0 40 FHAB CCC(=O)N1CCCc2cc(NS(=O)(=O)Cc3cccc(C)c3)ccc21 12180404 DQFSEFHJLDWDIX-UHFFFAOYSA-N 372.490 3.626 0 40 FHAB NC(=O)c1cc2ccccc2nc1[C@H]1CCCN(C(=O)C2CCCCC2)C1 12255437 JTFWFIYSLRFRIF-KRWDZBQOSA-N 365.477 3.620 0 40 FHAB CCOc1cc(S(=O)(=O)N(C)C2CCCCC2)c(OCC)cc1C 12420571 ZDQUPESQNROIKG-UHFFFAOYSA-N 355.500 3.746 0 40 FHAB COc1cc(NC(=O)c2cc(-c3ccccc3)[nH]n2)c(OC)cc1Cl 12506678 PCPIYTRUOHDIOQ-UHFFFAOYSA-N 357.797 4.000 0 40 FHAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1cccc(F)c1 12785334 UXFZTDVHLWCPBH-UHFFFAOYSA-N 371.437 3.505 0 40 FHAB COc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(Cl)cc3)n2)cc1 13495101 GAXRLWUUFWZYFH-LLVKDONJSA-N 357.797 3.890 0 40 FHAB COc1ccc(-c2cc(C(=O)N3CCO[C@H](C)C3)c3ccccc3n2)cc1 14139436 XFFBKFNUXGYFQH-OAHLLOKOSA-N 362.429 3.771 0 40 FHAB CCN(CC)C1=NC(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)S1 14190631 FJAVEDKXWAENGF-LLVKDONJSA-N 374.293 3.662 0 40 FHAB COc1cc(/C=C/C(=O)Nc2ccnn2C2CCCC2)cc(OC)c1OC 14514416 WKVYOGNKTLVLMZ-CMDGGOBGSA-N 371.437 3.676 0 40 FHAB Cc1cccn2c(=O)c3cc(C(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)sc3nc12 15441539 LCDBOTKYKDTHSM-UXIGCNINSA-N 369.490 3.772 0 40 FHAB Cc1ccc(C(=O)[C@H](C)Sc2n[nH]c(=O)n2Cc2ccccc2)cc1C 16802715 ZRHAUIRISFMBNA-HNNXBMFYSA-N 367.474 3.600 0 40 FHAB COc1cc(C(=O)NCCc2cccs2)cc(OC)c1Br 17909842 XXNMNKJJAYUPNF-UHFFFAOYSA-N 370.268 3.500 0 40 FHAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cc(C(F)(F)F)[nH]n1 19334856 DAXSKMNTRWKOPH-UHFFFAOYSA-N 370.331 3.867 0 40 FHAB CC(C)[C@H](NC(=O)CCc1nc(-c2ccccn2)no1)c1ccc(F)cc1 19445765 UIGWOWDTDHGPID-IBGZPJMESA-N 368.412 3.717 0 40 FHAB Cc1cc(C)n([C@H](C(=O)Nc2cccc(Cn3cccn3)c2)C(C)C)n1 19659570 RRYGLTMDEXMNEW-IBGZPJMESA-N 351.454 3.581 0 40 FHAB COc1nc2ccccc2nc1CCC(=O)N1CC[C@H](c2ccccc2)C1 19714190 OVGLIJYBFNXRSC-KRWDZBQOSA-N 361.445 3.587 0 40 FHAB Cc1cccc(N2N=C([N+](=O)[O-])[C@@H](c3ccco3)N[C@@H]2c2ccco2)c1 19805164 IDBLEEIPVIDKIW-SJORKVTESA-N 352.350 3.621 0 40 FHAB O=C1Nc2ccccc2CC[C@H]1Sc1nnc(-c2ccncc2)s1 20718147 SPCRQTDCVNGJHL-CQSZACIVSA-N 354.460 3.646 0 40 FHAB COc1cc(C(C)=O)ccc1OC(=O)c1ccc(Br)s1 20989153 BVQDXNDTQXHDMG-UHFFFAOYSA-N 355.209 3.941 0 40 FHAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N(C)Cc1ccc(Br)cc1 23718189 LKAAQJNZSNHGEX-LBPRGKRZSA-N 372.266 3.879 0 40 FHAB CCOc1ccc(C(=O)NC[C@@H](c2cccs2)N(C)C)cc1OCC 25720703 UEPVIJALPKDXKY-HNNXBMFYSA-N 362.495 3.578 0 40 FHAB COc1cc(CNC(=O)c2ccccc2OC(F)F)ccc1OC(F)F 26384398 PREQSIJMOFNHIW-UHFFFAOYSA-N 373.302 3.828 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)OCc2noc(-c3ccc(Cl)cc3)n2)c1C 29276384 IKPFHSKRFREVLR-UHFFFAOYSA-N 373.796 3.895 0 40 FHAB CCSCn1nnc(-c2ccc(OC)cc2)c1C(=O)Nc1ccccc1 32611860 XSBGWMFYBDHRBA-UHFFFAOYSA-N 368.462 3.917 0 40 FHAB O=C(COc1ccccc1)Nc1ccc(-n2cccn2)cc1C(F)(F)F 32817232 LGNMASCQGHKMSP-UHFFFAOYSA-N 361.323 3.909 0 40 FHAB O=C(NCc1cccnc1Oc1cccc(F)c1)c1n[nH]c2ccccc12 32924773 OUZLCTCNNKKCEX-UHFFFAOYSA-N 362.364 3.819 0 40 FHAB CCCCN1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 35042200 GLSNYZXTUKAJBD-GXDHUFHOSA-N 351.424 3.549 0 40 FHAB Cc1cc(=O)c(C(=O)N(C)Cc2cccs2)nn1-c1ccc(Cl)cc1 37115217 UMAVGLOLVDSRCU-UHFFFAOYSA-N 373.865 3.528 0 40 FHAB O=C(Nc1nnc(-c2ccc(F)cc2F)o1)c1ccc(Br)o1 38933046 HXOQDXZTJZOUOD-UHFFFAOYSA-N 370.109 3.623 0 40 FHAB Cn1ccnc1[C@H](NC(=O)CSc1ccccc1)c1cccc(F)c1 40013230 MTSRDHUZDWOZME-GOSISDBHSA-N 355.438 3.557 0 40 FHAB CN(Cc1ccc(C(N)=O)cc1)C(=O)c1ccc(-c2ccccc2Cl)o1 40059996 PZEBIVIUKRTYLX-UHFFFAOYSA-N 368.820 3.971 0 40 FHAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)cc1O 40267073 MZQXEIARXQXZBY-CQSZACIVSA-N 353.353 3.849 0 40 FHAB O=C(CCc1nc(-c2cccs2)no1)NCc1nc2ccccc2s1 48302241 HBJHQEZBDIGSKO-UHFFFAOYSA-N 370.459 3.657 0 40 FHAB Cc1nc(SCC(=O)N(C)Cc2ccsc2)n(CC(C)C)c1C 48309372 CTOZQLZVLCOLQM-UHFFFAOYSA-N 351.541 3.968 0 40 FHAB O=C(Cc1ccc(OC(F)(F)F)cc1)N1CCC[C@@H]1c1ccncc1 48325850 NBRUETFWTQECLJ-MRXNPFEDSA-N 350.340 3.886 0 40 FHAB C[C@H]1c2[nH]c3ccccc3c2CCN1S(=O)(=O)N(C)C1CCCCC1 56123296 YUSIIHHNPRAVLA-AWEZNQCLSA-N 361.511 3.596 0 40 FHAB C[C@H](NCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1Cl 57524918 QBYPOSVCEHMYMB-AWEZNQCLSA-N 371.868 3.756 0 40 FHAB O=C1CCCN1CCCSc1nnc(-c2ccc3ccccc3c2)o1 58172472 JVQISTAYTGQZRQ-UHFFFAOYSA-N 353.447 3.994 0 40 FHAB Cc1cccc(-c2cncc([C@@H]3CCCN(C(=O)c4cccnc4)C3)n2)c1 72359491 LKZGYJSPUCWXLA-LJQANCHMSA-N 358.445 3.867 0 40 FHAB Cc1cccnc1Nc1ccc(C2CCN(Cc3ccnn3C)CC2)nc1 72374256 PARJNHCPEFDROU-UHFFFAOYSA-N 362.481 3.642 0 40 FHAB Cn1ncc(Cl)c1-c1nnc2sc(-c3cc(F)ccc3Cl)nn12 79477836 ILDBGLCRWYJKJJ-UHFFFAOYSA-N 369.212 3.699 0 40 FHAB CCOc1c(F)cccc1C(=O)Nc1ccc(-n2nc(C)cc2C)nc1 79522481 SSOWLAVXSMOFGT-UHFFFAOYSA-N 354.385 3.674 0 40 FHAB O=C(NC1CC1)C1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 84522636 VXRYCAOXCGDDNR-NRFANRHFSA-N 352.453 3.906 0 40 FHAB O=C(CCn1ccc2ccc(Cl)cc21)N1CC[C@]2(O)CCCC[C@@H]2C1 85431200 DIQPPDVUPXARTH-OXQOHEQNSA-N 360.885 3.838 0 40 FHAB NC(=O)[C@H](CNCc1c(Cl)cccc1Cl)Cc1ccc(F)cc1 89768050 HBXFSABXLMVNDG-LBPRGKRZSA-N 355.240 3.566 0 40 FHAB O=C([C@@H]1CCOc2ccccc21)N1CCC(OCc2ccc(F)cc2)CC1 92074757 ODHMDSSJZXZXQH-HXUWFJFHSA-N 369.436 3.900 0 40 FHAB Cc1ccc(OCc2nc(CNC[C@@H](C)Cn3ccnc3)cs2)cc1 95959242 PUDDXEKJDZBXFT-MRXNPFEDSA-N 356.495 3.653 0 40 FHAB COCc1nc([C@H]2CCCCCN2C(=O)Nc2c(F)cccc2F)no1 95999015 PGUNKWXJGSBMEF-CYBMUJFWSA-N 366.368 3.643 0 40 FHAB CC(=O)CCCCCCC(=O)OC[C@@H]1CC(=O)N(Cc2ccccc2)C1 96013435 BYLUSNZCVMYOJT-LJQANCHMSA-N 359.466 3.508 0 40 FHAB COc1cccc(CN2CCC3(CC2)CCN(Cc2ccccn2)CC3)c1 96071758 QOZFJCIMCKFHQU-UHFFFAOYSA-N 365.521 3.968 0 40 FHAB CCN1CCCC[C@H]1CNC(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 97001846 RDPZPDFHTOGHTK-KRWDZBQOSA-N 373.476 3.624 0 40 FHAB COc1ccc(NC(=O)CN(C)[C@@H](C)c2cccc(Cl)c2)cc1OC 97492905 GJMYWQJHNZDOSB-ZDUSSCGKSA-N 362.857 3.989 0 40 FHAB COc1ccc(C2(O)C[C@H]3CC[C@H](C2)N3CC(C)(C)CN2CCCC2)cc1 100727107 DJTYLKLGKCPIDX-WOJBJXKFSA-N 372.553 3.632 0 40 FHAB O=C(Nc1ccc(Cn2ccnc2)cc1)c1cccc(CN2CCCC2)c1 108254194 NEWXDIMEJWNPFT-UHFFFAOYSA-N 360.461 3.780 0 40 FHAB Cc1ccccc1CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC(C)(C)C 222674702 RIGGEZCMPIUMNK-GOSISDBHSA-N 366.505 3.870 0 40 FHAB Cc1cccc(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)c1 224674635 TYCAJNXZKGBXML-QGZVFWFLSA-N 370.468 3.619 0 40 FHAB CCOC(=O)c1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1Cl 225323908 BBOZYZMSICDFBG-RWSFTLGLSA-N 352.887 3.992 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2C(=O)C[C@@](C)(O)C[C@H]2c2ccccc2)c(C)c1 247902981 ZZCYFVLFXLNREF-XJABCFGWSA-N 351.446 3.756 0 40 FHAB CN(C)c1nc(C2CCN(C(=O)C3CCCCC3)CC2)cn2cccc12 257206115 BBXNLPQKVQPWRN-UHFFFAOYSA-N 354.498 3.687 0 40 FHAB Cc1cnc(C(=O)N2CCC[C@@H](Cc3cnc4ccccc4c3)CC2)cn1 257341962 ZMOSPPWSRURFGK-QGZVFWFLSA-N 360.461 3.818 0 40 FHAB COc1ccc(/C=C\C(N)=O)cc1OCc1ccc(Br)cc1 361634193 UICXOXOKYQXBOB-UITAMQMPSA-N 362.223 3.535 0 40 FHAB CN1C(=O)c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)cc2C1=O 408573824 ONAHPQSMSFNHFU-FMIVXFBMSA-N 372.380 3.824 0 40 FHAB Cc1ncsc1CCC(=O)N1CCOC[C@H]1c1nc2ccccc2s1 520533025 HFMCXNQFIIBPSO-AWEZNQCLSA-N 373.503 3.594 0 40 FHAB Cc1nc(-c2ccc([C@@H](C)NC(=O)[C@H]3CCc4c[nH]nc4C3)cc2)cs1 525198964 ACUXMGQQAHICEI-WBMJQRKESA-N 366.490 3.824 0 40 FHAB C[C@@H]1CCN(C(=O)C(Cc2ccccc2)Cc2ccccc2)C[C@@H]1C(=O)O 567048697 NSBKWTLTOLANMI-UTKZUKDTSA-N 365.473 3.657 0 40 FHAB Cc1ccc(CN2C(=O)CC[C@@H]2c2nc(-c3n[nH]c4ccccc34)no2)cc1 569886774 BQWJSOZROVNZOY-QGZVFWFLSA-N 373.416 3.785 0 40 FHAB C[C@@H](c1ccc(F)cc1)N1CC[C@@H](Nc2cc3oc(O)nc3cc2F)C1=O 656661033 QRSDHEJAGQLNLN-IINYFYTJSA-N 373.359 3.586 0 40 FHAB Cc1c([C@@H](C)NC(=O)c2onc3c2CCCC3)cnn1-c1ccc(F)cc1 666204856 OPTOTRITMWERGJ-GFCCVEGCSA-N 368.412 3.678 0 40 FHAB CN(C)[C@H](CNS(=O)(=O)c1cccs1)c1csc2ccccc12 669739127 HLKLHYUYJPEYNS-CQSZACIVSA-N 366.533 3.544 0 40 FHAB O=S(=O)(NC[C@@H](c1ccsc1)c1ccco1)c1c(F)cccc1F 675007654 DHKLFPVRHJWLPN-LBPRGKRZSA-N 369.414 3.730 0 40 FHAB O=C(NCc1ccc(Oc2ccccc2)nc1)c1ncoc1[C@@H]1CCCO1 1318571898 OMRRLSWZEROSEX-INIZCTEOSA-N 365.389 3.643 0 40 FHAB O=C(NC[C@@]1(O)CCCc2sccc21)c1ccc(OC(F)(F)F)cc1 1889237064 VWEFZKGUNKNIBR-INIZCTEOSA-N 371.380 3.601 0 40 FHAB O=C(N[C@H]1CCCC[C@H]1n1cccn1)c1cccc(Oc2ccncc2)c1 72307223 AOFXJYYCUKTACU-VQTJNVASSA-N 362.433 3.984 0 40 FHAB O=C(Cn1ccc2ccc(Cl)cc21)NC[C@@H]1CCCN2CCCC[C@H]12 79189268 VEYZTPPOQABOJQ-FUHWJXTLSA-N 359.901 3.675 0 40 FHAB biogenic COc1ccccc1-n1cnn(CN2CCC[C@@H](C(F)(F)F)C2)c1=S 12534732 XSWRCSJVWIYHHG-GFCCVEGCSA-N 372.416 3.644 0 40 FHAB O=C(O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(Br)cc1 4399350 PPNBMQUTFASJPB-SJORKVTESA-N 360.251 3.749 0 40 FHAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2C(=O)Nc1ccccc1Cl)C1CC1 4888252 MOYZLDASJCJQKP-GOOCMWNKSA-N 361.873 3.784 0 40 FHAB Cc1cccc(C(=O)NC2CCN(C(=S)Nc3ccc(F)cc3)CC2)c1 4888667 BRYGNXUEMBIUSY-UHFFFAOYSA-N 371.481 3.725 0 40 FHAB COc1cccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 7609869 DTBVNEIJFWUJIE-UHFFFAOYSA-N 372.852 3.840 0 40 FHAB Cc1cc(C(=O)Nc2nc3c(C)cccc3s2)c2c(C)nn(C)c2n1 25170634 PVPCWFNBNAXOFP-UHFFFAOYSA-N 351.435 3.756 0 40 FHAB COC(=O)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1 8132851 CKBJCZYQKFNDPC-NSHDSACASA-N 374.849 3.693 0 40 FHAB C[C@H]1CN(Cc2csc(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)n2)C[C@@H](C)O1 107134217 XVUHSBOELMAKFU-QRJUGERDSA-N 363.527 3.517 0 40 FHAB C[C@H]1CCc2c(sc(NC(=O)c3c(F)cccc3F)c2C(N)=O)C1 3209232 YUQFJCWZUULWIV-QMMMGPOBSA-N 350.390 3.502 0 40 FHAB COc1ccc(-c2cnc(CCC(=O)NCc3ccc(C)cc3)o2)cc1 109417703 QNFBJTQPHWCTSN-UHFFFAOYSA-N 350.418 3.908 0 40 FHAB O=C(O)c1ccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 9063367 YRKWHSHHYKQQGL-UHFFFAOYSA-N 372.852 3.889 0 40 FHAB CCC[C@H](NC(=O)Cn1cnc2sc(CC)cc2c1=O)c1ccccc1 57954353 LURONFJQUCPFEQ-KRWDZBQOSA-N 369.490 3.678 0 40 FHAB C[C@@H]1CCCN(Cc2ccccc2CNc2cncc(-n3cccn3)n2)C1 57984852 HRVMLAIZHCNBHR-QGZVFWFLSA-N 362.481 3.506 0 40 FHAB O=C(CSc1ncnc2ccccc12)Nc1ccccc1OC(F)F 3246410 GNECPOISFDRAHT-UHFFFAOYSA-N 361.373 3.962 0 40 FHAB Cc1cc(C)c(NC(=O)CN2C(=O)COc3cc(Cl)ccc32)c(C)c1 44841737 WSTKKXSPDFLEEX-UHFFFAOYSA-N 358.825 3.629 0 40 FHAB O=C(Nc1nnc(Cc2nc3ccccc3[nH]2)s1)c1cccc(Cl)c1 20533751 HGSMOOIKKDNVEX-UHFFFAOYSA-N 369.837 3.911 0 40 FHAB C[C@H](NC(=O)CN1CC[C@H](Nc2ccccc2)C1)c1ccccc1Cl 58289268 VBOKUNVRJAVPBT-RDJZCZTQSA-N 357.885 3.704 0 40 FHAB COc1ccc(-c2noc(CNC(=O)CCc3ccccc3Cl)n2)cc1 62259748 COXQXTGMLXYJMF-UHFFFAOYSA-N 371.824 3.648 0 40 FHAB C[C@H](Oc1ccccc1Cl)C(=O)NC1CCN(CC2CCCC2)CC1 58406578 PLNCYSJHWFHWBA-HNNXBMFYSA-N 364.917 3.878 0 40 FHAB COc1ccc(CCNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1OC 20492544 PYGHZNZUWXMHEP-KRWDZBQOSA-N 371.477 3.755 0 40 FHAB CO[C@H]1CCN(C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)C1 72313213 APUVGRVTLQNTNW-INIZCTEOSA-N 363.413 3.629 0 40 FHAB C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)NC[C@@H]1CCCO1 3353527 PFWWXYAMMGJVIH-SCZZXKLOSA-N 368.808 3.530 0 40 FHAB Cc1ccccc1OCCN(C)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 11077759 CZUSYHVDEFFBJF-AWEZNQCLSA-N 370.474 3.579 0 40 FHAB Cc1ccccc1NC(=O)CC[C@@H]1N=C(O)N([C@H](C)c2ccccc2)C1=O 36597244 PXOUVTBTWKZDIH-QAPCUYQASA-N 365.433 3.600 0 40 FHAB COc1ccc(N[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c(OC)c1 28795605 DDEXMIATWAXYRX-VIFPVBQESA-N 370.236 3.845 0 40 FHAB Cn1ccnc1Sc1ccc(NC(=O)[C@H]2C[C@H]2c2cccnc2)cc1 84331716 KFAJQMLQNAMIRR-IRXDYDNUSA-N 350.447 3.709 0 40 FHAB O=C(NCc1ccccc1CN1CCCC1)c1ccccc1OC(F)F 29065597 VORDNNSMHJWAER-UHFFFAOYSA-N 360.404 3.814 0 40 FHAB Nc1cc(Cl)ccc1C(=O)OCCOc1ccc(Br)cc1 3311947 JCEGTHNYXSWTKF-UHFFFAOYSA-N 370.630 3.921 0 40 FHAB COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccc(F)cc1 11613850 ZWUPGDXICQDNCO-UHFFFAOYSA-N 374.231 3.706 0 40 FHAB CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@H](C)C(=O)Nc1ccccc1C 3365717 VLWFKOVYIINSCR-GFCCVEGCSA-N 374.462 3.816 0 40 FHAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2cccs2)n1N 2617658 JGRWFGUQWIFCJL-UHFFFAOYSA-N 374.491 3.614 0 40 FHAB Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)no1 12028929 GWJGSXYIUDSEJM-ZDUSSCGKSA-N 368.220 3.533 0 40 FHAB COc1ccccc1C(=O)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1 100423422 FDLCAYMOZUDADK-OALUTQOASA-N 350.462 3.621 0 40 FHAB CC(=O)Nc1cc(NC(=O)c2cc(F)ccc2Br)ccc1F 12806599 IFRZGXPYKWAKCH-UHFFFAOYSA-N 369.165 3.938 0 40 FHAB CCc1cc2c3c(c1)[C@]1(NC(=O)c4ccccc4N1)C(=O)N3C(C)(C)C=C2C 10325935 AEQQZVMZISXOKN-QHCPKHFHSA-N 373.456 3.799 0 40 FHAB COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1 47060375 VUUCPYLWKHMEGZ-NSHDSACASA-N 369.446 3.806 0 40 FHAB O=C(c1cc(F)cc2[nH]cnc12)N(Cc1cccc(F)c1)C[C@H]1CCCO1 50661049 SBITXNKJUSLJEI-MRXNPFEDSA-N 371.387 3.663 0 40 FHAB COc1ccc2c(CC(=O)OCC(=O)Nc3cc(C)ccc3C)coc2c1 3419592 QOOWQPQOYAYMIB-UHFFFAOYSA-N 367.401 3.783 0 40 FHAB C[C@@H]1CCC2=NN(C(=O)CCCc3ccccc3)[C@@](O)(C(F)(F)F)[C@H]2C1 409056816 OCBAPACYDQHWTD-XUWXXGDYSA-N 368.399 3.895 0 40 FHAB CC(C)(C)OC(=O)N1CCC(COC(=O)Cc2cccc(F)c2)CC1 63546157 CNHUGRXGNKLNNW-UHFFFAOYSA-N 351.418 3.559 0 40 FHAB C[C@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccc(Cl)cc1Cl 23555641 OETGPEIXYKAFIQ-NWDGAFQWSA-N 369.292 3.962 0 40 FHAB O=C(NCCc1cnc(-c2ccccc2)[nH]1)c1ccc(Br)cc1 13607286 PKEVRXHYFQRNLX-UHFFFAOYSA-N 370.250 3.812 0 40 FHAB COc1ccc2c(CC(=O)O[C@H](C)C(=O)Nc3cccc(C)c3)coc2c1 6156556 OPORSIXLYMGLGN-CQSZACIVSA-N 367.401 3.863 0 40 FHAB O=C(Nc1nccs1)C1CCN(C(=O)c2cccc3ccccc23)CC1 14120863 HOCSKNGKXKBZDC-UHFFFAOYSA-N 365.458 3.787 0 40 FHAB CCCCC[C@H](CCOC(=O)[C@H](C)SC)OC(=O)[C@@H](C)SC 95440741 PKVIDKUWRLEMQG-BFHYXJOUSA-N 350.546 3.915 0 40 FHAB C[C@@H](NC(=O)c1ccc(F)cc1Cl)c1cccc(N2CCOC2=O)c1 65838326 WJJKNYTWCWOCOW-LLVKDONJSA-N 362.788 3.927 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3ccccc3[nH]2)cc1 5492278 DJBJJARXITZRCC-CYBMUJFWSA-N 350.374 3.555 0 40 FHAB CCc1nnc(NC(=O)CSc2ccc(Br)cc2)s1 5509151 HKDKUQDMVQSFFW-UHFFFAOYSA-N 358.286 3.594 0 40 FHAB COC(=O)c1cc(OC)c(OC)cc1NC(=S)N[C@H](C)c1ccccc1 9482172 FZZATBLUNCZMOI-GFCCVEGCSA-N 374.462 3.538 0 40 FHAB O=C(CSc1ncn[nH]1)N1c2ccccc2SC[C@@H]1c1ccccc1 6988896 DZJNPGOZPGCCJY-OAHLLOKOSA-N 368.487 3.777 0 40 FHAB CN(Cc1ccc(OC(F)F)cc1)S(=O)(=O)c1ccc2c(c1)CCC2 7216850 MZZGBENHTWNXLI-UHFFFAOYSA-N 367.417 3.597 0 40 FHAB C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(-n2ccnc2)cc1 20494742 CEEQCOMXQZGTSL-AWEZNQCLSA-N 355.825 3.609 0 40 FHAB COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 7348849 GYQCOPVDAVMHII-CQSZACIVSA-N 370.449 3.573 0 40 FHAB Cc1nc(-c2ccc(NC(=O)c3cccc(NC(N)=O)c3)cc2)cs1 7438152 BXGLERPVVSVGHV-UHFFFAOYSA-N 352.419 3.861 0 40 FHAB Cc1ccc(C)c(OCCC(=O)Nc2ccccc2N2CCOCC2)c1 7718112 VWSPUWJZPPQCGD-UHFFFAOYSA-N 354.450 3.548 0 40 FHAB CN1CCC2(CC1)C[C@@H](NC(=S)Nc1ccccc1)c1ccccc1O2 7982599 MULGBFNWQUKCJI-GOSISDBHSA-N 367.518 3.961 0 40 FHAB COc1ccc([C@H](C)NC(=O)c2ccc(-n3cccn3)c(F)c2)c(OC)c1 71803740 QTXXAFCJCRQXMN-ZDUSSCGKSA-N 369.396 3.520 0 40 FHAB O=S(=O)(NC1(c2ccccc2)CCC1)c1ccccc1OC(F)(F)F 71802029 JZAVWMWIPFRZNV-UHFFFAOYSA-N 371.380 3.943 0 40 FHAB C[C@H](NC(=O)CSCc1ccccn1)c1nc(-c2ccccc2)c[nH]1 69456058 JUKWGFWIMBXFCR-AWEZNQCLSA-N 352.463 3.582 0 40 FHAB CCOc1cccc([C@H]2C[C@@H]2Nc2ccc3nnc(C(F)(F)F)n3n2)c1 95463039 MYIJAVAOBIDERR-OLZOCXBDSA-N 363.343 3.510 0 40 FHAB CCN(C(=O)CSc1nnc(NC)s1)c1cccc2ccccc12 17979033 PUYKCDUFEKRMFZ-UHFFFAOYSA-N 358.492 3.878 0 40 FHAB O=C(NCc1nnc2n1CCCCC2)c1ccc(Oc2ccccc2)cc1 8734000 PJWGZKZKQLMZNM-UHFFFAOYSA-N 362.433 3.727 0 40 FHAB COc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)c(OC)c1C 409082654 SZIABVQJKSNBCT-VBKFSLOCSA-N 374.506 3.745 0 40 FHAB CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1 8981957 HPVJQUWWSHTDBV-UHFFFAOYSA-N 369.446 3.724 0 40 FHAB Cc1cnc(CNC(=O)Nc2c(F)cc(F)cc2Br)s1 97117643 ZNCQXVHYRVONEX-UHFFFAOYSA-N 362.199 3.814 0 40 FHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC12CCOCC2 97105240 VOWWZGMRHDXKQN-UHFFFAOYSA-N 364.804 3.838 0 40 FHAB Cc1ccc(N(CCCC(=O)Nc2cc(C)cc(C)c2)S(C)(=O)=O)cc1 113956464 SEFBOCZYZXLSCM-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1ccc2c(c1)OCO2 32127288 CKMGDUCQQWDXTG-UHFFFAOYSA-N 368.336 3.561 0 40 FHAB O=C(NCCN1CCc2ccccc2C1)c1csc(-c2ccsc2)n1 30318587 GXZZFFOKVWRWTN-UHFFFAOYSA-N 369.515 3.660 0 40 FHAB Cc1ccccc1CSc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12 64593291 RVSNLKTUVNNCQI-UHFFFAOYSA-N 366.421 3.620 0 40 FHAB COc1ccc([C@H]2CC(O)=Nc3c2cnn3Cc2cccs2)cc1O 72405663 GRBUMUXCEPMGKG-CYBMUJFWSA-N 355.419 3.831 0 40 FHAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1nc(-c2cccs2)no1 219372142 IRGYIPVFBHTZMK-AWEZNQCLSA-N 371.462 3.889 0 40 FHAB O=C(Cc1ccc(F)cc1F)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 225739469 RLCNPUJIFUOMQK-QGZVFWFLSA-N 368.383 3.735 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 223665990 DFOJDYFNDFRLDH-INIZCTEOSA-N 372.896 3.744 0 40 FHAB COc1cc(/C=C2/N=C(c3ccc(C)c(C)c3)OC2=O)cc(OC)c1OC 83312948 SYBXJWVHOQGZKT-CXUHLZMHSA-N 367.401 3.674 0 40 FHAB O=C(NC[C@H](O)c1csc2ccccc12)C1(c2ccc(F)cc2)CC1 225693972 WQGIMTBLGBOLML-KRWDZBQOSA-N 355.434 3.922 0 40 FHAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C)c2)cc1 223779271 GISVRUKATYDQTI-OALUTQOASA-N 364.474 3.606 0 40 FHAB CC(C)c1ccc(OCC(=O)NCc2ccc(-c3cccnc3)nc2)cc1 225764508 WSEQHMWVVVVBNE-UHFFFAOYSA-N 361.445 3.962 0 40 FHAB Cc1c(Cl)cnc(NC(=S)NCc2ccco2)c1Br 223901046 RLSUHAXWTDPLDR-UHFFFAOYSA-N 360.664 3.886 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccc(CN2CCCC2)cc1 44873161 DONCPNSYNUILQY-HXUWFJFHSA-N 370.468 3.895 0 40 FHAB Cc1cc(C)c(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1C 225647824 BEBFOZYQHXXLSM-QGZVFWFLSA-N 366.461 3.773 0 40 FHAB Cc1ncsc1CN1CCC2(CC1)OCC[C@@H]2CCOc1ccccn1 248042796 PHSHVCHENBXTPL-KRWDZBQOSA-N 373.522 3.687 0 40 FHAB O=C(Nc1ccc(F)c(Cl)c1)c1ccnc(OCC2CCOCC2)c1 253397983 GIUJVCVBEYTIIR-UHFFFAOYSA-N 364.804 3.932 0 40 FHAB O=C(c1ccc2ncccc2c1)N1CCCC[C@H]1c1ccn2ccnc2n1 257335622 YLCADKMIZZXEGD-IBGZPJMESA-N 357.417 3.645 0 40 FHAB CCN1CCO[C@@H](CNC(=O)N[C@@H](C)c2ccsc2)[C@@H]1c1ccccc1 661132247 HCCFETMCRJSVFY-SNRMKQJTSA-N 373.522 3.570 0 40 FHAB CN1CCC[C@@]12CCCN(C(=O)CCCc1c[nH]c3ccccc13)CC2 585100238 IQRQUMRASFGCCS-QFIPXVFZSA-N 353.510 3.968 0 40 FHAB C[C@]12CCCN(C[C@]3(O)CC[C@@H](c4ccccc4)CC3)[C@H]1CCCC(=O)N2 585283963 PVNOJCAXNZSTCK-BAMDZGJYSA-N 370.537 3.599 0 40 FHAB O=C1CCC(C(=O)N2CCC[C@@H]2c2ccsc2)=NN1c1ccccc1 57997329 MYWILRLWIKOURD-QGZVFWFLSA-N 353.447 3.595 0 40 FHAB Cc1cccc(-n2cc([C@@H]3NC(C)(C)C(=O)N3CC(C)(C)C)c(C)n2)c1 639425190 LWRQTDDVPHKRQC-GOSISDBHSA-N 354.498 3.744 0 40 FHAB CCSc1nnc(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)s1 5254579 SWLXHKDAIIWCJB-MRVPVSSYSA-N 350.494 3.740 0 40 FHAB COCCn1c([C@H]2CC(=O)N(c3c(C)cccc3C)C2)nc2ccccc21 12062037 DFPHKCCZERSGLL-KRWDZBQOSA-N 363.461 3.820 0 40 FHAB O=C(c1cccs1)N1CCC(n2nc(-c3cccs3)ccc2=O)CC1 12129316 XCXQUECJSGWOLA-UHFFFAOYSA-N 371.487 3.511 0 40 FHAB Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CN[C@H](C)c3cccs3)cc12 12186432 SMFUTYDVCQQXJQ-CQSZACIVSA-N 364.474 3.935 0 40 FHAB COCc1nn2c3c(nnc2c1-c1cccc2ccccc12)C(=O)CCC3 13639391 QKIICSTXKRHGKD-UHFFFAOYSA-N 358.401 3.610 0 40 FHAB O=C(Cc1ccc(F)cc1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 19333216 YVUVVSAZXWMMTF-UHFFFAOYSA-N 371.437 3.886 0 40 FHAB Cc1c(-c2cccc(Cl)c2)nn2c(O)cc([C@@H](C)n3ccnc3)nc12 19557372 JUEHAKHKNQMDOH-GFCCVEGCSA-N 353.813 3.870 0 40 FHAB CCN[C@@H]1CN(C(=O)CCCOc2ccc(OC)cc2)C2(CCCCC2)C1 19703992 IUDGNNVLEGTNSE-SFHVURJKSA-N 374.525 3.768 0 40 FHAB CN(C(=O)[C@H]1CC=CCC1)C1CCC2(CC1)CNCc1ccccc1O2 19586700 FVRJNBSBXUXQIG-QXAHSBQVSA-N 354.494 3.665 0 40 FHAB O=C(COc1ccc(NC(=O)c2ccco2)cc1)c1ccc2c(c1)OCO2 6084982 PLRSVDGHAZCSJW-UHFFFAOYSA-N 365.341 3.522 0 40 FHAB Cc1ccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@H](c3ccco3)C2)cc1 4247968 JZRWKFBXUGFALT-FQEVSTJZSA-N 365.477 3.998 0 40 FHAB CS(=O)(=O)c1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 4304817 PMTGSWJYNPUJJA-UHFFFAOYSA-N 355.246 3.795 0 40 FHAB CCOc1ccc(N2C[C@H](NC(=O)c3cccc4ccccc34)CC2=O)cc1 4497255 OQLKMCGEHLSANE-QGZVFWFLSA-N 374.440 3.774 0 40 FHAB COc1ccc([C@@H](NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c2ccccc2)cc1 4573470 CLDXKPCFEJOELW-UFYCRDLUSA-N 365.429 3.568 0 40 FHAB O=C(Cc1ccc(F)cc1)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2 5252285 CMYXUOHXKXCLNH-UHFFFAOYSA-N 352.409 3.696 0 40 FHAB Cc1cc(C)cc(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)c1 17010706 WICJGVJTUVZOBY-UHFFFAOYSA-N 355.419 3.786 0 40 FHAB Cc1ccc(CN2CCC(Nc3ccccc3)(C(=O)N(C)C)CC2)s1 2055754560 AWXGXRALNXRNKD-UHFFFAOYSA-N 357.523 3.591 0 40 FHAB O=C(Nc1nc(-c2ccco2)cs1)c1csc(-c2cnccn2)n1 44123672 LKFKIWLJFPRIJV-UHFFFAOYSA-N 355.404 3.569 0 40 FHAB O=C(CCCC1CCCCC1)Nc1nc(CN2CCOCC2)cs1 40161775 VMZRCVKDDDPLEK-UHFFFAOYSA-N 351.516 3.664 0 40 FHAB NC(=O)c1ccc(CN(C(=O)Cc2cccc3ccccc23)C2CC2)cc1 31169685 QHCLHXFEMVTRRD-UHFFFAOYSA-N 358.441 3.672 0 40 FHAB O=C(Nc1nnc(C(F)(F)F)s1)c1cc(Br)ccc1F 31565554 HILMGULGVPWUFX-UHFFFAOYSA-N 370.125 3.711 0 40 FHAB CCc1ccc(-n2ncc3c2N=C(O)C[C@]32C(=O)Nc3ccccc32)cc1 20745395 MZDSEIZLYPVEKT-OAQYLSRUSA-N 358.401 3.665 0 40 FHAB Cc1cc(Br)ccc1NC(=O)N(CCO)Cc1ccsc1 52232184 PPGQJKFWHDGMTK-UHFFFAOYSA-N 369.284 3.845 0 40 FHAB Cc1ccc(C(=O)CCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1C 32747872 NWVKDSXSNYZVSI-MRXNPFEDSA-N 367.445 3.915 0 40 FHAB CC(=O)N[C@H](CC(=O)N1CCC(Cc2ccccc2)CC1)c1cccs1 32879231 FIYSCGVADCVTMR-LJQANCHMSA-N 370.518 3.797 0 40 FHAB CC(=O)Nc1ccc(C(=O)N(C)Cc2nc3ccccc3n2C(F)F)cc1 32895246 OXSGFDSKDRDFOC-UHFFFAOYSA-N 372.375 3.662 0 40 FHAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(-c2cccc(F)c2)no1 33160413 RFOSFCZZORRTPX-UHFFFAOYSA-N 365.364 3.860 0 40 FHAB CC(C)c1nc2cc(NC(=O)c3ccccc3SCC(N)=O)ccc2o1 33217078 WWGCQTPOCFBFTD-UHFFFAOYSA-N 369.446 3.781 0 40 FHAB O=C(CCOc1ccc(F)cc1F)N[C@H]1CCCOc2ccc(F)cc21 53369986 MPUQZAWQZOLECY-INIZCTEOSA-N 365.351 3.903 0 40 FHAB COc1cc(C(=O)Oc2ccc(O)c(C(C)(C)C)c2)cc(OC)c1OC 682518 SRBHYAXDLQTJHM-UHFFFAOYSA-N 360.406 3.935 0 40 FHAB C[C@H](CC(=O)Nc1ccccc1)NC[C@@H](c1ccco1)N1CCCCC1 22800200 MWXLFVMZSCMTSG-MJGOQNOKSA-N 355.482 3.814 0 40 FHAB O=C(CSc1nncs1)Nc1ccc(Cl)cc1C(F)(F)F 23077819 YREBBQJMTOZZSE-UHFFFAOYSA-N 353.778 3.941 0 40 FHAB CCc1cc2c(=O)c(-c3csc(C)n3)coc2cc1O[C@@H](C)C(=O)O 937123 HWOXVKNHXRSFOH-VIFPVBQESA-N 359.403 3.639 0 40 FHAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)NCc1ccccc1 1379668 ZNAHZYGMPSBSAG-KRWDZBQOSA-N 357.841 3.653 0 40 FHAB CC(C)C[C@@H](CO)NC(=O)Nc1ccc(N2CCc3sccc3C2)cc1 78772305 UKGMUCORFDOCNI-KRWDZBQOSA-N 373.522 3.839 0 40 FHAB COc1ccc([C@H]2COc3ccccc3C(=O)N2C(=O)c2ccco2)cc1 1399601 MHJNLRUMVAJJHX-QGZVFWFLSA-N 363.369 3.705 0 40 FHAB CCN(CC)CCC[C@@H](C)NC(=O)Nc1cc(OC)cc2cccnc12 1729631 PCCURHYZQJRWEO-OAHLLOKOSA-N 358.486 3.875 0 40 FHAB CC[C@@H]1c2ccsc2CCN1C(=O)CN1CCCc2sccc2C1=O 89949342 MEELYLKHVCUIBI-OAHLLOKOSA-N 374.531 3.734 0 40 FHAB Cc1cccc(-c2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)n2C)c1 3400353 LHOYIOQPXPWULR-ZBFHGGJFSA-N 358.511 3.578 0 40 FHAB Cc1ccc(-n2c(COc3ccccc3)nnc2S[C@@H](C)C(=O)O)cc1 4126782 BMEMZYSOCPZPAR-AWEZNQCLSA-N 369.446 3.720 0 40 FHAB COc1ccc(-c2csc(Cc3nnc4n3CCCCC4)n2)cc1OC 3236052 BNRJAZHWYUDYMY-UHFFFAOYSA-N 370.478 3.736 0 40 FHAB CCCCCNC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 6597315 CDOKTTISBHTVEF-UHFFFAOYSA-N 374.506 3.740 0 40 FHAB COc1ccc(CCNC(=O)N[C@@H](C)c2ccccc2Cl)cc1OC 24968418 FXXFFHQINZDABZ-ZDUSSCGKSA-N 362.857 3.960 0 40 FHAB CCOC(=O)[C@H](C)SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 25067379 GOMVXAVNDRDLNB-NSHDSACASA-N 374.487 3.836 0 40 FHAB CN(C)CCOc1ccccc1C(=O)N[C@H]1CCc2cc(Cl)ccc21 55739646 RHXLVMGGCDZVAD-SFHVURJKSA-N 358.869 3.698 0 40 FHAB CC(C)(C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc2c(c1)OCO2 56172985 HBOKRBDJNKRHLX-PKNBQFBNSA-N 366.417 3.596 0 40 FHAB O=C(Nc1ccccc1F)c1cccc(NS(=O)(=O)c2ccccc2)c1 8289047 FUBODIDOBTVUMR-UHFFFAOYSA-N 370.405 3.879 0 40 FHAB Cc1cccc(C)c1OCCCn1c([C@@H](C)NC=O)nc2ccccc21 35145622 HXIIGWALSFAUEM-QGZVFWFLSA-N 351.450 3.929 0 40 FHAB COc1ccc(CNC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1OC 57413505 VNVPKVQJKCIBNH-UHFFFAOYSA-N 371.824 3.677 0 40 FHAB CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3cccc4ncccc34)ccc21 26984348 DJAOHZSENHCNHW-AWEZNQCLSA-N 374.444 3.583 0 40 FHAB O=C(Cc1ccc2c(c1)CCCC2)NC[C@@H](c1ccco1)N1CCCC1 44714876 UMMNEENVQTUNCS-FQEVSTJZSA-N 352.478 3.654 0 40 FHAB CCCCCCOc1ccc(OC[C@@H](O)Cn2nnc3ccccc32)cc1 2060297 QFEXZLKRIFETIG-KRWDZBQOSA-N 369.465 3.830 0 40 FHAB CCN1CCC[C@@H]1CNC(=O)Cc1csc(-c2ccccc2Cl)n1 53274899 JDMQLXZTLZLQFY-CQSZACIVSA-N 363.914 3.607 0 40 FHAB Cc1cccc(C(=O)NCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c1 12750272 HCLKYNSGAMDOOH-AWEZNQCLSA-N 367.474 3.554 0 40 FHAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)CCc2cccc(F)c2F)c1 58202428 OQAAHGUEYWCJLS-UHFFFAOYSA-N 373.808 3.593 0 40 FHAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccccc1Br)OC2=O 100261060 UMKUNFLYVYUETK-HOTGVXAUSA-N 352.228 3.510 0 40 FHAB CCN(C(=O)CN1CCC[C@@H]1c1cc(OC)ccc1OC)c1ccccc1 12789427 WFVDKTAYHQOTCJ-HXUWFJFHSA-N 368.477 3.894 0 40 FHAB CC(=O)c1ccc(-c2ccc(C(=O)NC[C@@H](c3ccco3)N(C)C)o2)cc1 3344731 YHSXAHNOUOVHNB-KRWDZBQOSA-N 366.417 3.775 0 40 FHAB O=C(/C=C/c1ccc(Cl)cc1Cl)OCC(=O)N1CCCCCC1 3314638 TWHLGCDYZJHVIF-SOFGYWHQSA-N 356.249 3.952 0 40 FHAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(-n3cncn3)c(F)c2)cc1 48312709 DFFYPFUWJBMWPH-ZDUSSCGKSA-N 374.441 3.721 0 40 FHAB CCCc1nc2sc3c(NCCCO)ncnc3c2c2c1CCCC2 2298786 ZIOGFMNQOPSWLC-UHFFFAOYSA-N 356.495 3.865 0 40 FHAB O=C(NC[C@@H]1CCCO1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 12851269 IHZVDAMODBGEBL-HNNXBMFYSA-N 371.824 3.695 0 40 FHAB O=C(Nn1cnc2scc(-c3cccs3)c2c1=O)[C@@H]1CC=CCC1 12815310 VAXGVUHDBYWMFH-LLVKDONJSA-N 357.460 3.613 0 40 FHAB O=C([C@H]1CC(c2cccc(F)c2)=NO1)N1CCCSc2ccccc21 36833041 OBDIJNVZLWDKMA-QGZVFWFLSA-N 356.422 3.848 0 40 FHAB COC(=O)c1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1C 10338038 GEBDQYHNWFHCFX-UHFFFAOYSA-N 352.434 3.630 0 40 FHAB Cc1csc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)n1 10555538 JCOBXIFZZJMFFL-UHFFFAOYSA-N 373.459 3.505 0 40 FHAB Cn1nc(C(=O)Nc2cccc(Oc3ccccc3)c2)c2ccccc2c1=O 3449430 BIFLLKLGSYKPBA-UHFFFAOYSA-N 371.396 3.978 0 40 FHAB CC(C)Cn1c(SCn2nnc3ccccc3c2=O)nc2ccccc21 3498704 XZLAWZHJIQFYJV-UHFFFAOYSA-N 365.462 3.547 0 40 FHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccn(Cc2ccccc2)n1 28247273 XWDQILCXADFNPQ-CQSZACIVSA-N 355.825 3.991 0 40 FHAB Cc1ccccc1-c1ccc(N2CCC(C(=O)Nc3ccncc3)CC2)nn1 23143317 HCTCRPHWQZSDQW-UHFFFAOYSA-N 373.460 3.702 0 40 FHAB COc1ccc(-c2noc(CSc3ccccc3C(=O)O)n2)cc1OC 12978290 QKETWLVWFNDDSM-UHFFFAOYSA-N 372.402 3.744 0 40 FHAB CCn1cc(Br)c(C(=O)Nc2nc3ccc(C)cc3s2)n1 28235839 XHOYZOLMGSXVDW-UHFFFAOYSA-N 365.256 3.836 0 40 FHAB CC[C@H](C)NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC(C)(C)CC3 4089853 SKZACRWNFIJPPI-LBPRGKRZSA-N 357.450 3.662 0 40 FHAB biogenic COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)C(C)C)cc1 9281769 XLJSPMSTRLBZDV-UHFFFAOYSA-N 350.418 3.588 0 40 FHAB COc1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2Cl)c(F)c1 5088436 RYNWMSJQEGQJED-UHFFFAOYSA-N 351.761 3.592 0 40 FHAB NC1=N[C@H](c2cccc(OCc3ccccc3)c2)n2c(nc3ccccc32)N1 5072189 YFLJSPZGOYVLSF-FQEVSTJZSA-N 369.428 3.902 0 40 FHAB CC(=O)OC[C@@]12CO[C@H](c3ccc4c(c3)OCO4)[C@@H](C(C)=C[C@H]1C)[C@@H]2C 4318378 OTAZKNLOTKUEQR-AWMXANOHSA-N 358.434 3.884 0 40 FHAB biogenic CC(=O)Nc1sc(C)c(C)c1C(=O)OCCOc1ccc(F)cc1 5326570 KYBRIQOCVOMGHZ-UHFFFAOYSA-N 351.399 3.698 0 40 FHAB O=C(Nn1c(C2CC2)n[nH]c1=S)c1ccc(SC(F)(F)F)cc1 9313751 TWAINVNVLOYXIC-UHFFFAOYSA-N 360.386 3.814 0 40 FHAB O=C(CSCC(=O)Nc1ccccc1F)Nc1ccc2c(c1)CCC2 14200461 AHMFYLOIIUPUFX-UHFFFAOYSA-N 358.438 3.625 0 40 FHAB O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)C1=NO[C@@H](c2ccccc2)C1 65810323 WTDBFEAKPYCGAV-VAMGGRTRSA-N 368.408 3.680 0 40 FHAB O=c1c(Cl)cc(C(F)(F)F)cn1Cc1nc(-c2ccc(F)cc2)no1 6560083 RVGGPPLCTMECTH-UHFFFAOYSA-N 373.693 3.758 0 40 FHAB COCc1c(C(=O)Nc2cc(C(=O)OC)ccc2C)oc2ccccc12 5609378 ZOQSUXCLTPJSDJ-UHFFFAOYSA-N 353.374 3.927 0 40 FHAB O=C(CN1CCSC1=O)Nc1nc2c(Cl)c(Cl)ccc2s1 9456714 HCHDPRDCZVLQRF-UHFFFAOYSA-N 362.263 3.710 0 40 FHAB COc1ccccc1-c1noc(COC(=O)Cc2ccc(Cl)cc2)n1 7125733 PTJJTAXZRIZLBT-UHFFFAOYSA-N 358.781 3.685 0 40 FHAB O=C1OC(c2ccccc2)=N/C1=C\c1cc(Cl)c2c(c1)OCCCO2 7925221 JJTUBGAWCDSFSA-GDNBJRDFSA-N 355.777 3.846 0 40 FHAB O=C(COc1ccccc1-c1nc(-c2ccccc2)no1)Nc1ccccn1 21524651 WRAVYTDXFYCUNF-UHFFFAOYSA-N 372.384 3.816 0 40 FHAB C1=NN2C(SCc3nnc(-c4ccco4)o3)=Nc3ccccc3[C@H]2C1 8429183 OHPDBWOUQFJVIV-CYBMUJFWSA-N 351.391 3.997 0 40 FHAB Brc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nnnn32)cc1 8518764 HOPJMXGWSCILBZ-CABCVRRESA-N 356.227 3.582 0 40 FHAB CN1CCC[C@@H](NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 83877785 VPWFJEPOCHKNTP-LLVKDONJSA-N 369.309 3.940 0 40 FHAB COc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 8735590 PAYYVHYOLQTKNP-UHFFFAOYSA-N 351.381 3.761 0 40 FHAB COc1ccc(-c2noc(-c3nc(Cc4ccc(F)cc4)no3)n2)cc1 98212341 YXEYIDNZZGQCAQ-UHFFFAOYSA-N 352.325 3.525 0 40 FHAB CC(C)c1[nH]ncc1C(=O)OCc1nn(-c2ccc(F)cc2)c2c1CCC2 89891149 MLEYXOUCKHZNGN-UHFFFAOYSA-N 368.412 3.704 0 40 FHAB O=C(NC(=S)Nc1cccc2ccccc12)c1ccc2c(c1)OCCO2 408625582 YSJSBBOZJLCFBO-UHFFFAOYSA-N 364.426 3.738 0 40 FHAB CC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 301218712 SALOIFKXFFBZQI-KRWDZBQOSA-N 351.446 3.938 0 40 FHAB COc1ccc(SCC(=O)NCCOc2ccc(Cl)cc2)cc1 25689733 GBZXKUUICRCDPU-UHFFFAOYSA-N 351.855 3.636 0 40 FHAB CCOC(=O)c1nc(-c2ccc(I)cc2)cs1 65886777 NXSMTYVQZLQOLO-UHFFFAOYSA-N 359.188 3.591 0 40 FHAB CC[C@@H]1C=CCN1Cc1ccc(OCc2ccc(C(=O)O)o2)c(OC)c1 1506399177 KJABMEROPCLYJM-OAHLLOKOSA-N 357.406 3.716 0 40 FHAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cc2c(s1)CCCCC2 30032017 GDFAOYMVVHRMAZ-UHFFFAOYSA-N 373.503 3.587 0 40 FHAB COc1ccc(Oc2nccnc2[C@H]2CCCN(C3CCOCC3)C2)cc1 72362845 ADAILIAEIFPQBV-INIZCTEOSA-N 369.465 3.636 0 40 FHAB Cc1ccc(C[C@@H](C)N(C)S(=O)(=O)c2ccccc2OC(F)F)cc1 524122029 ACVXZGGSKFVESN-CQSZACIVSA-N 369.433 3.848 0 40 FHAB CCOc1cc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)cc1Cl 48044525 FCDUFBVKTITLNC-JTQLQIEISA-N 352.283 3.813 0 40 FHAB COc1cc2c(cc1S(=O)(=O)N[C@H](C)c1ccccc1C)CCCC2 225130389 KYUOYTRPWAGWJF-OAHLLOKOSA-N 359.491 3.922 0 40 FHAB CC[C@@H](NC(=O)Cc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 225441184 UFNRYKYHKNUZBE-QGZVFWFLSA-N 365.882 3.554 0 40 FHAB FC(F)(F)c1ccc(O[C@H]2CCN(Cc3ccc4c[nH]nc4c3)C2)nc1 576385657 BRKGCYQLMYVVII-HNNXBMFYSA-N 362.355 3.630 0 40 FHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 225053940 VQSUXNVIVWGXHB-OALUTQOASA-N 366.505 3.870 0 40 FHAB CC[C@@H](NC(=S)Nc1cccc(C)c1)c1ccc(S(C)(=O)=O)cc1 225721888 UHFDQBIUEMYIRN-QGZVFWFLSA-N 362.520 3.836 0 40 FHAB CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1 224613767 JVMLBKHXWQBYEO-INIZCTEOSA-N 372.896 3.824 0 40 FHAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc21 40015940 LVGIWUXYBVVNQP-OALUTQOASA-N 370.880 3.898 0 40 FHAB Cc1cc(C)cc(NC(=S)NCc2ccc(CN3CCCC3=O)cc2)c1 225647983 MGVKWDGXKJSDHA-UHFFFAOYSA-N 367.518 3.912 0 40 FHAB O=C(NCc1cccnc1-c1ccsc1)c1cncc(Br)c1 225646543 PFJHDVYBNDHYFW-UHFFFAOYSA-N 374.263 3.898 0 40 FHAB O=C(O)C[C@H](NC(=S)Nc1ccncc1)c1ccc(Cl)cc1Cl 225218355 PUUYHVVBWYWOGR-ZDUSSCGKSA-N 370.261 3.891 0 40 FHAB COc1cc(OC)cc([C@H](C(=O)O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c1 583089891 PNXLHCIGEFTYNA-ZSOFBXJNSA-N 373.424 3.847 0 40 FHAB Cc1c(Cl)cccc1N1C[C@H](C(=O)N[C@@H](C)c2ccccc2)CC1=O 240803881 BBGFGXOVDFIQMB-GOEBONIOSA-N 356.853 3.879 0 40 FHAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(C(=O)c4cccnc4)[C@@H]3C[C@H]21 257271871 NADKIFQQQJPLGG-LFGUQSLTSA-N 364.445 3.614 0 40 FHAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCCCN2Cc2ncc[nH]2)n1 257230287 GBOZXOJJRZKJFR-OAHLLOKOSA-N 369.498 3.744 0 40 FHAB CN(C)Cc1cnn(-c2ccccc2C(=O)NCc2ccc(Cl)cc2)c1 257278765 ODOSQYXGLTYSKZ-UHFFFAOYSA-N 368.868 3.517 0 40 FHAB Cc1ncc(C(=O)N2[C@@H](c3ccccc3)C[C@H]3[C@H]2CCCCN3C)c(C)n1 257211327 BYMKVPXKZCYOON-NJYVYQBISA-N 364.493 3.534 0 40 FHAB Cc1noc(C)c1-c1cc(C2CCN(C(=O)c3cscn3)CC2)ccn1 257203482 AQGMYZCVHJKEJB-UHFFFAOYSA-N 368.462 3.830 0 40 FHAB O=C(c1cccc2ccccc12)N1CC(COc2ccc3c(c2)OCO3)C1 252497449 QHZQMFUZJFRVLW-UHFFFAOYSA-N 361.397 3.720 0 40 FHAB CC1(C)C[C@H](c2ccccc2)N(C(=O)Nc2ccc(F)c(C(N)=O)c2)C1 644989778 WQRNTGXKSBRMFG-QGZVFWFLSA-N 355.413 3.930 0 40 FHAB Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N1Cc2c[nH]nc2C1 647794411 DOCVEXNQAZIBGQ-UHFFFAOYSA-N 362.311 3.548 0 40 FHAB O=C(NCc1ccnc(-c2ccncc2)c1)c1cccc(OC(F)(F)F)c1 390828038 NUYURICBVCZOFF-UHFFFAOYSA-N 373.334 3.972 0 40 FHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1C 5186818 ZOEZHJNSEQBUHC-GZTJUZNOSA-N 366.442 3.978 0 40 FHAB O=C(C1CC1)N(Cc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 5626490 LMXVQRXNLNWONM-UHFFFAOYSA-N 367.836 3.515 0 40 FHAB CCSc1nc2nc3c(cc2c(=O)n1-c1ccccc1)CC(C)(C)OC3 5673882 FCFGTGFKVSSXAV-UHFFFAOYSA-N 367.474 3.744 0 40 FHAB Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 5748551 QLKPKSFTKUYKCS-MRXNPFEDSA-N 372.490 3.810 0 40 FHAB COc1cccc(C(=O)O[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)c1OC 11131846 ZLBMCVNOAXQWHR-CYBMUJFWSA-N 367.401 3.922 0 40 FHAB c1cn2c(NC[C@@H]3CCCO3)c(-c3ccc(N4CCCC4)cc3)nc2cn1 12113873 AXCRDHOEGWJTAQ-SFHVURJKSA-N 363.465 3.587 0 40 FHAB Cc1cc2oc(C(=O)NCCCN3C[C@H](C)C[C@@H](C)C3)cc(=O)c2cc1C 12205100 VIAKKOUCRUKDOC-HUUCEWRRSA-N 370.493 3.508 0 40 FHAB COc1ccc(CN2CCC(c3noc(-c4ccccn4)n3)CC2)cc1 12328602 PLHKEKXGFTXHNU-UHFFFAOYSA-N 350.422 3.520 0 40 FHAB Cc1cc(-c2cnn(CCNC(=O)C(C)(C)C)c2-c2cccs2)on1 13226726 UPOIHZVHVHUVRU-UHFFFAOYSA-N 358.467 3.737 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3cccc(-n4cccn4)c3)no2)cc1 19661084 ZCZOCFHHWQMYGR-UHFFFAOYSA-N 360.373 3.788 0 40 FHAB NC(=O)c1cc(C(=O)N[C@@H](c2cccc(Cl)c2)C2CCCCC2)c[nH]1 675513245 SCXMRUASVXWXMU-QGZVFWFLSA-N 359.857 3.818 0 40 FHAB O=C(Cc1ccsc1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 390832141 XPZJTQUALXKOFK-UHFFFAOYSA-N 371.428 3.977 0 40 FHAB Cc1ccccc1-n1cnnc1SCC(=O)N1c2ccccc2C[C@@H]1C 4501178 SPBXAUGDBWGOTQ-HNNXBMFYSA-N 364.474 3.646 0 40 FHAB Cc1cccc(N2CCN(C(=O)c3cnc(Cl)c(Cl)c3)CC2)c1 16279190 CNZGZSQFIXRRQH-UHFFFAOYSA-N 350.249 3.659 0 40 FHAB C=CC(=O)Nc1ccc(O)c(C(=O)N(CCC)Cc2ccccc2F)c1 1557514747 CESFWCNUGKEIKZ-UHFFFAOYSA-N 356.397 3.708 0 40 FHAB CCN(C(=O)C(=O)c1c(C)n(C)c2ccccc12)c1ccc(OC)cc1 4062763 NWZPHDQKGLNOLP-UHFFFAOYSA-N 350.418 3.731 0 40 FHAB CCn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(C)ccc21 4193360 BSVSNPMZJHHYQB-UHFFFAOYSA-N 361.850 3.816 0 40 FHAB O=C(Nc1cc(Cl)ccc1Cl)N[C@@H]1CC(=O)N(c2ccccc2)C1 4359908 FCMRZHUVDUVBIB-GFCCVEGCSA-N 364.232 3.920 0 40 FHAB Cc1ccc(NC(=O)CSc2ccc(-c3ccccn3)nn2)c(C)c1 6859347 VSKCAZLQIJHPSC-UHFFFAOYSA-N 350.447 3.886 0 40 FHAB CN1CCCC[C@H]1C1CCN(C(=O)c2cnc(Cl)cc2Cl)CC1 2055772496 NSNWBFMRGHAQFV-HNNXBMFYSA-N 356.297 3.725 0 40 FHAB O[C@@H](CNc1ncnc2cnccc12)c1ccc(-c2ccsc2)s1 1775970283 AGWKCKMXSQRYMQ-AWEZNQCLSA-N 354.460 3.960 0 40 FHAB Cc1ccc([C@@H](CNC(=O)c2cccc3ccccc23)N2CCOCC2)cc1 23105840 NCWNBHQZPGABEY-HSZRJFAPSA-N 374.484 3.952 0 40 FHAB COc1ccc(CNC(=O)NC[C@H](OC)c2ccc(Cl)s2)cc1 225709464 CUDUTFFPKUJQDR-ZDUSSCGKSA-N 354.859 3.597 0 40 FHAB Cn1nccc1[C@@H]1CCCCN1C(=O)c1ccc(OC(F)(F)F)cc1 410293344 KNNFOEFSHKHDEK-HNNXBMFYSA-N 353.344 3.686 0 40 FHAB O=S(=O)(NCC1(c2cccs2)CC1)c1ccc(Br)cc1 22686478 KBENDNUIIUBIPX-UHFFFAOYSA-N 372.309 3.521 0 40 FHAB O=C(COc1ccc(F)cc1)NCC[C@H](O)c1cccc2ccccc12 77116743 QNMQWRRPISXWCW-FQEVSTJZSA-N 353.393 3.598 0 40 FHAB CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 12889399 DBEPLOCGEIEOCV-BIZDQQMVSA-N 372.553 3.815 0 40 FHAB biogenic CCOc1cc2c(cc1CNC(=O)CCc1ccc(F)cc1)O[C@H](C)C2 32741050 ITLLKHFHUZLKLB-CQSZACIVSA-N 357.425 3.797 0 40 FHAB CCN(C(=O)CCNC(=O)c1ccccc1C)C12CC3CC(CC(C3)C1)C2 21588622 VNRSBWOOYRIIAW-UHFFFAOYSA-N 368.521 3.932 0 40 FHAB CCOC(=O)c1ccc(NC(=O)Cc2ccc(OCC)c(OCC)c2)cc1 674867 VXWCSPLIIYRORK-UHFFFAOYSA-N 371.433 3.842 0 40 FHAB O=C(NCc1ccccc1)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 646289 WJYTZHVSSVRXQQ-INIZCTEOSA-N 372.730 3.827 0 40 FHAB COc1ccccc1N(C)Cc1csc(-c2ccc(C(N)=O)cc2)n1 53611389 BAROKGGDTPKIJB-UHFFFAOYSA-N 353.447 3.554 0 40 FHAB CC(C)n1nccc1NC(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1C 23292445 NRUFFWRUPSKPSA-CQSZACIVSA-N 369.494 3.984 0 40 FHAB COc1cccc(OC)c1C(=O)Nc1cccc(NC(=O)c2ccco2)c1 778490 JMUJYMPYRVQGHJ-UHFFFAOYSA-N 366.373 3.801 0 40 FHAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1ccccn1 12532064 PTPXPNVTWLHMTE-UHFFFAOYSA-N 358.401 3.649 0 40 FHAB COc1cccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(Cl)cc2)c1 1016449 PVRKLKZSPPCXGF-KRWDZBQOSA-N 371.824 3.615 0 40 FHAB CCc1cc2c(=O)n(Cc3ccc(C(=O)OC(C)C)cc3)cnc2s1 958877 JAXMRNGWRIGWBF-UHFFFAOYSA-N 356.447 3.634 0 40 FHAB CCc1ccc(Nc2nnc(SCC(=O)NCc3ccco3)s2)cc1 2661253 VPTQLCUORGPXTQ-UHFFFAOYSA-N 374.491 3.846 0 40 FHAB O=C(N[C@H](n1nnc2ccccc21)C(Cl)(Cl)Cl)c1ccccc1 4714277 POOIYAHTUIUZLU-CQSZACIVSA-N 369.639 3.730 0 40 FHAB COC(=O)c1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(c2ccc(F)cc2F)C(=O)N1 4852882 IOKWDTUDCFPOIM-LIRRHRJNSA-N 374.343 3.521 0 40 FHAB CCc1ccc(NC(=S)N2CCC(NC(=O)c3ccccc3)CC2)cc1 4857573 SHCQHWZFCVWJSP-UHFFFAOYSA-N 367.518 3.840 0 40 FHAB Cc1ccc(-c2ccc(C(=O)NC(=S)NCc3cccnc3)o2)cc1C 6044499 UUUTWNCTLZCCIX-UHFFFAOYSA-N 365.458 3.763 0 40 FHAB O=C(CSc1nnc2n1CCCCC2)Nc1ccccc1C(F)(F)F 6098333 KQOUIGPOWCJVBJ-UHFFFAOYSA-N 370.400 3.754 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(C)ccc2C)cc1 6560927 BHRNIFKKQPNRJX-UHFFFAOYSA-N 360.479 3.586 0 40 FHAB CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2cccc(Cl)c2)c1 6680426 PKDSZZMIDWLTBJ-UHFFFAOYSA-N 372.899 3.684 0 40 FHAB Cc1ccc([C@@H](NS(=O)(=O)c2c(C)noc2C)c2ccccc2)cc1 7307190 NHTLNTZURVFXJD-SFHVURJKSA-N 356.447 3.668 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1OCC 7361145 HPEIOUFPDIVHMA-UHFFFAOYSA-N 365.451 3.602 0 40 FHAB CCN1CCC[C@@H]1CN[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 25606645 XFYNEJAINDSACU-PKOBYXMFSA-N 367.493 3.880 0 40 FHAB COc1ccc(-c2nc(CC(=O)Oc3ccc4c(c3)OCO4)cs2)cc1 8113323 GMWOABMTLQSGKV-UHFFFAOYSA-N 369.398 3.696 0 40 FHAB COc1ccc(OC)c(NC(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c1 8114842 BSJMMZNVWZLKJT-UHFFFAOYSA-N 370.384 3.732 0 40 FHAB O=C(NCc1ccc(OC(F)F)cc1)Nc1ccccc1-n1cccn1 48150857 CJBIXKHQLKQWON-UHFFFAOYSA-N 358.348 3.795 0 40 FHAB CCCN(CCC)C(=O)CSc1nc2ccccc2c(=O)n1CCC 57472407 QLLHICFJWMYFCA-UHFFFAOYSA-N 361.511 3.547 0 40 FHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc2c(n1)[C@]1(C)CC[C@@H]2C1(C)C 100265433 BHHDRZXOUBBXFT-VGWCWKRBSA-N 374.554 3.928 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)CCc1ccc(OC)cc1 10030245 KTQQFHPJHRIGAZ-UHFFFAOYSA-N 354.450 3.796 0 40 FHAB C[C@H](NC(=O)[C@H]1CSCN1C(=O)Nc1ccc(F)cc1)c1ccccc1 97123896 STORCDLZBBIJRW-SUMWQHHRSA-N 373.453 3.610 0 40 FHAB C[C@H]1Sc2ccc(C(=O)N3CCC[C@@H](C(F)(F)F)C3)cc2NC1=O 10285378 ZJGHKGSBRBJXQP-MWLCHTKSSA-N 358.385 3.534 0 40 FHAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2C2CC2)cc1OC 58201006 QYFHDMCNDYMWMN-LLVKDONJSA-N 373.478 3.871 0 40 FHAB CC(C)(C)c1ccc2c(c1)OCC(=O)N2CC(=O)Nc1ccc(F)c(F)c1 51316230 JYJFRXXWKSXXAM-UHFFFAOYSA-N 374.387 3.626 0 40 FHAB Fc1ccc(NC(=S)NC2C[C@@H]3CC[C@@H](C2)N3Cc2ccco2)cc1 100423674 VOSBFSUBVACZDG-IRXDYDNUSA-N 359.470 3.901 0 40 FHAB Cc1ccc(F)cc1NC(=O)[C@@H](C(C)C)n1nnc(-c2ccccc2)n1 48342938 KFGDMGVEJSALMM-QGZVFWFLSA-N 353.401 3.623 0 40 FHAB CC(C)(C)[C@@H]1CCc2c(sc3nc(SCC(=O)O)nc(N)c23)C1 2286674 PQDXZFSCGCGOFN-MRVPVSSYSA-N 351.497 3.601 0 40 FHAB Cc1ccc(CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)cc1 12818333 PTNPVVZFZBSXCY-SFHVURJKSA-N 373.250 3.725 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)CCC(C)=O)c1ccccc1 11151637 ZXZYIVDUXOUFBP-FQEVSTJZSA-N 369.417 3.596 0 40 FHAB O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)N1CCOCC1 11865906 ZDWOBVGEAICBLY-UHFFFAOYSA-N 357.262 3.518 0 40 FHAB CCCC[C@@](O)(CCN1CCOCC1)c1ccc(Br)cc1 27346426 AYZMUTWUJSDYQR-QGZVFWFLSA-N 356.304 3.549 0 40 FHAB O=C(COC(=O)CCSc1ccc(Cl)cc1)NCc1ccccc1 2619628 BMCMDZWIEWBXGY-UHFFFAOYSA-N 363.866 3.682 0 40 FHAB Cc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc2n1 2632273 AJBLDDIWAQSGLH-UHFFFAOYSA-N 372.428 3.593 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)c1nc(Cc2c[nH]c3ccccc23)no1 12389410 YZYRBICXQCHCHJ-OAHLLOKOSA-N 374.444 3.893 0 40 FHAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)N[C@@H]1CCc2ccccc21 72330073 XHYFHNKQDXRLAM-MRXNPFEDSA-N 363.335 3.666 0 40 FHAB Cc1ccc(O)c(S(=O)(=O)Nc2ccc3nc(C4CC4)sc3c2)c1 63879202 UCQRIQDIWXVHRB-UHFFFAOYSA-N 360.460 3.989 0 40 FHAB Cc1cccc2cc(CN(Cc3ccco3)C(=O)c3ccco3)c(=O)[nH]c12 9238033 YFNBCQWYABTDPV-UHFFFAOYSA-N 362.385 3.865 0 40 FHAB CCOc1cccc(NC(=O)[C@H]2CC(=O)N=C(Nc3ccccc3)S2)c1 4082792 BFGFZVLCRNUVHI-MRXNPFEDSA-N 369.446 3.524 0 40 FHAB Cc1c([C@H]2CC(O)=Nc3c2cnn3Cc2ccccc2Cl)cnn1C 49544394 MGODNFIRHIUMSA-CYBMUJFWSA-N 355.829 3.750 0 40 FHAB CCOc1cccc(C(NC(=O)c2ccccc2)NC(=O)c2ccccc2)c1 4185755 VGXRMXCYCLTFOT-UHFFFAOYSA-N 374.440 3.944 0 40 FHAB COc1ccc(C(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)c(OC)c1 5127133 KJUPUBYXAMSBIK-UHFFFAOYSA-N 358.434 3.646 0 40 FHAB COc1ccc2nc(NC(=O)CN3c4ccccc4C[C@@H]3C)sc2c1 9313986 SPEVPWIESMQMCA-LBPRGKRZSA-N 353.447 3.695 0 40 FHAB O=C(NCc1nccs1)c1ccc(-c2ccc3c(c2)OCCO3)s1 65476518 NORLMQVUMKLRRX-UHFFFAOYSA-N 358.444 3.573 0 40 FHAB C[C@H](NC(=O)COc1ccccc1-c1ccccc1)c1nnc2ccccn12 14190029 XZQGBXIYHGKOKW-INIZCTEOSA-N 372.428 3.653 0 40 FHAB CCNC(=O)c1cccc(NC(=O)c2cc3ccc(F)cc3nc2C)c1 14138854 JAKXZYUDBJIRGG-UHFFFAOYSA-N 351.381 3.684 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(-c2ccn[nH]2)c1 24887188 GPQDASFNXXFUCM-NRFANRHFSA-N 372.428 3.979 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC(C)C)cc2)cc1 6477429 NCOSXIPOULHPDF-UHFFFAOYSA-N 374.506 3.596 0 40 FHAB COc1cc(C=O)cc(OC)c1OCc1ccc(Br)cc1 4558211 YYUXWECKVPMIIL-UHFFFAOYSA-N 351.196 3.858 0 40 FHAB CCN(C(=O)CSc1nncn1-c1ccccc1OC)C1CCCCC1 6534818 AVBKRZAXRLUXDE-UHFFFAOYSA-N 374.510 3.549 0 40 FHAB CN(C)c1ccccc1CN1C[C@@H](CCN2CCCC2=O)c2ccccc21 83403533 AFRNIMHOAYDHPT-GOSISDBHSA-N 363.505 3.869 0 40 FHAB C[C@@H]1CCCc2sc3nc(NCc4cccnc4)n4ncnc4c3c21 5516152 JDMAPSJVXZNKGK-LLVKDONJSA-N 350.451 3.786 0 40 FHAB O=C1[C@@H]2CS[C@@H](c3ccc(F)cc3)N2C(=S)N1c1ccc(F)cc1 4704063 OIBIAJNKACOXMB-HOCLYGCPSA-N 362.426 3.713 0 40 FHAB CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 5699446 RIWDUTOUWKPEQW-UHFFFAOYSA-N 357.353 3.502 0 40 FHAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(F)cc1 6752917 YNJNZHXFNBVNNZ-LJQANCHMSA-N 351.381 3.877 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCCCC1 6866373 FKZHDMCDUOTZQZ-UHFFFAOYSA-N 364.511 3.688 0 40 FHAB COc1ccc([C@@H](NC(=O)Nc2nnc(C(F)F)s2)C2CC2)cc1 67586315 KJRRUTMQKOUINP-NSHDSACASA-N 354.382 3.757 0 40 FHAB c1ccc(CCc2nc3nccc(-c4ccc5c(c4)OCCCO5)n3n2)cc1 96344166 QUWJBXIBCWTEAG-UHFFFAOYSA-N 372.428 3.738 0 40 FHAB Cc1ccc(NC(=O)N[C@H](Cn2cncn2)c2ccccc2)c(Cl)c1 68555331 MVUJTNPSLTZYCN-QGZVFWFLSA-N 355.829 3.803 0 40 FHAB CCn1c(S[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1C1CC1 7826001 UPFKPULWWVYVKB-LBPRGKRZSA-N 360.483 3.686 0 40 FHAB CSc1cccc(NC(=O)c2ccc(CNC(=O)NC(C)C)cc2)c1 7940562 GHZODESKFLZLOY-UHFFFAOYSA-N 357.479 3.868 0 40 FHAB CCOc1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)CCC3)O[C@@H](C)C2 17520640 IHZUKFPFGZYMPT-ZDUSSCGKSA-N 373.474 3.698 0 40 FHAB O=C(c1cc2c(F)cccc2[nH]1)N1CCN(C/C=C/c2ccccc2)CC1 71840176 UJBRRSMGCPQASY-VMPITWQZSA-N 363.436 3.778 0 40 FHAB CN(C)c1cccc(C(=O)Oc2ccccc2C(=O)NC2CCCC2)c1 83855363 HBQVQXPDVIAOLC-UHFFFAOYSA-N 352.434 3.644 0 40 FHAB O=C(Cc1cc2ccccc2[nH]c1=O)N[C@H](CC(F)(F)F)c1ccccc1 69842133 DCQPKUMCUFAPIY-QGZVFWFLSA-N 374.362 3.881 0 40 FHAB CCn1c(SCc2nccn2C(F)F)nc2sc(C)c(C)c2c1=O 8778759 GJNBJRNOZANPMP-UHFFFAOYSA-N 370.450 3.979 0 40 FHAB C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)c1cccc(Cl)c1 8714792 MTOISTDKPPETGR-LLVKDONJSA-N 355.777 3.610 0 40 FHAB O[C@@H](c1ccccc1)c1nccn1Cc1noc(-c2ccc(Cl)cc2)n1 95941615 OZMQRPFOGIGAPZ-KRWDZBQOSA-N 366.808 3.717 0 40 FHAB COCc1c(C(=O)N(CCO)CC(C)(C)C)sc2cccc(F)c12 89643031 RBSUKHIYXVVVHH-UHFFFAOYSA-N 353.459 3.667 0 40 FHAB C[C@@H]1CCC[C@H]2C1=NN(C(=O)c1cccc(Cl)c1)[C@@]2(O)C(F)(F)F 409173059 LGSYHAFFMJJPAV-LYSGOOTNSA-N 360.763 3.839 0 40 FHAB COc1ccc(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1 20144645 CRXKZPFHTQWQAU-UHFFFAOYSA-N 367.401 3.773 0 40 FHAB COc1ccc2c(C(F)(F)F)c(C(=O)O)c(Br)nc2c1 36453044 GOQPTQSYXBNXPB-UHFFFAOYSA-N 350.090 3.723 0 40 FHAB Cc1nc([C@]2(O)CCCNCC2)sc1CCOc1ccccc1Cl 72343625 MTNGFLBZWDVPFH-SFHVURJKSA-N 366.914 3.688 0 40 FHAB CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccccc1F 71980472 YINKQUUKILDXTH-FOCKTWCOSA-N 363.429 3.684 0 40 FHAB Cc1cc(C)cc(O[C@H](C)C(=O)NCc2nc(-c3cccc(C)c3)no2)c1 219552162 BEAKQNDKLATJPK-MRXNPFEDSA-N 365.433 3.746 0 40 FHAB COc1ccc([C@H]2CCCCCN2C(=O)N=c2cc3ccccn3[nH]2)cc1 558468976 KMYIPWBLGNJCDP-LJQANCHMSA-N 364.449 3.914 0 40 FHAB Cc1ncccc1Oc1nccnc1[C@@H]1CCCN(C(=O)CC(C)C)C1 72383722 NOHUPUKBWFOVIF-MRXNPFEDSA-N 354.454 3.724 0 40 FHAB COCCCC(=O)Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1 32609588 KJPNVCFFRVRPEP-UHFFFAOYSA-N 355.369 3.908 0 40 FHAB CCSc1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 30873141 RIBBPJIOBCXNIK-UHFFFAOYSA-N 364.492 3.731 0 40 FHAB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OS(=O)(=O)O 13507169 WAQBISPOEAOCOG-KZYORJDKSA-N 368.495 3.706 0 40 FHAB biogenic,in-vitro COc1ccc(Cl)cc1NC(=S)Nc1ccc(S(C)(=O)=O)cc1 71761629 RHKLIXPQMDILTB-UHFFFAOYSA-N 370.883 3.561 0 40 FHAB COc1ccc2nc(NC(=O)c3cc(Cl)nc(N(C)C)c3)sc2c1 78674645 QIYLWVOUVXRRHJ-UHFFFAOYSA-N 362.842 3.672 0 40 FHAB COc1cc2c(cc1OC)[C@@H](c1cc(C)no1)N(C(=O)C(C)(C)C)CC2 72342788 ZARBWUNPXKXDDJ-SFHVURJKSA-N 358.438 3.520 0 40 FHAB COc1ccc(CNC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)c(OC)c1 45172497 ZOCACIKLBUTPFR-UHFFFAOYSA-N 371.824 3.677 0 40 FHAB Cc1cccc([C@@H]2CCCCN2C(=O)c2ccc(S(C)(=O)=O)o2)c1C 81323301 HOIXQYFBSBEKBH-INIZCTEOSA-N 361.463 3.667 0 40 FHAB COc1c(Cl)cc(C(=O)Nc2cc(N)ccc2N(C)C)cc1Cl 226261834 LUUIUTCUYYQWND-UHFFFAOYSA-N 354.237 3.903 0 40 FHAB O=C(NCc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)C(F)F)cc1 43453384 YELZUFOWFMFRGY-UHFFFAOYSA-N 374.796 3.658 0 40 FHAB Cc1ccc2oc(CCC(=O)NCCOc3ccc(Cl)cc3)nc2c1 224946591 SIOGHZVDRWLEOK-UHFFFAOYSA-N 358.825 3.917 0 40 FHAB C[C@H](c1noc([C@@H]2COCCN2C2CCCC2)n1)c1c(F)cccc1F 574556360 QJBSBEFIWFYLQL-LRDDRELGSA-N 363.408 3.816 0 40 FHAB C[C@@H]1CCCCN1C(=O)c1cc2c(c3ccccc3n2C)n1C(=O)N(C)C 96146314 OVPUFWYXYWVOLN-CQSZACIVSA-N 366.465 3.677 0 40 FHAB CCCCN(C)C(=O)c1cc2c(c3ccccc3n2C)n1-c1ncccn1 96037290 KWDWMPDGMQDKJV-UHFFFAOYSA-N 361.449 3.784 0 40 FHAB COc1ccc(NC(=O)c2cc(C(C)C)nc(N3CCCCC3)n2)cc1 96101108 NGUGAQNLKLWCBI-UHFFFAOYSA-N 354.454 3.851 0 40 FHAB Fc1ccccc1CN1CCC2(CC1)C[C@H](OCc1cccnc1)CO2 96106774 YPSIYXUFTPVHDE-IBGZPJMESA-N 356.441 3.561 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1n[nH]c2ccccc12 96231973 ZYZUGDXYHJPDLJ-SFHVURJKSA-N 360.417 3.860 0 40 FHAB Cc1nccc(C(=O)N2CCC[C@H](Cc3cccc4ncccc34)CC2)n1 257270794 MVRFQAKRUXESKE-KRWDZBQOSA-N 360.461 3.818 0 40 FHAB CC(C)n1nccc1-c1nccnc1[C@H]1CCCN(C(=O)C(C)(C)C)C1 257297556 RHUUYTHIPGEMMD-HNNXBMFYSA-N 355.486 3.673 0 40 FHAB CCn1nc(C(C)C)cc1C(=O)N1CCC[C@H]1CCc1ccnc(C)c1 257280979 ONEBKHBIXPGPKF-SFHVURJKSA-N 354.498 3.967 0 40 FHAB C[C@](CNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)(C(=O)O)c1ccccc1 263268643 HTMUIXOAKYIPNE-HACGYAERSA-N 357.372 3.514 0 40 FHAB CC[C@H](C)n1ncc2c(C(=O)O)cc(/C=C/c3cn(C4CCC4)nn3)nc21 656613123 GOFSQRLEGVJLOC-GUOLPTJISA-N 366.425 3.587 0 40 FHAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O 7071181 DNFULJBTIPKNCL-SEEODLKFSA-N 353.827 3.718 0 40 FHAB O=C(Nc1cc(F)ccc1F)C1CCN(c2nc3ccccc3o2)CC1 11373239 CWEZQJJXZWOXEC-UHFFFAOYSA-N 357.360 3.961 0 40 FHAB CC(=O)N[C@@H](CC(=O)NCc1ccc(Cl)cc1Cl)c1cccs1 11430207 SCSQFZUBMYLMRZ-AWEZNQCLSA-N 371.289 3.939 0 40 FHAB Cc1nc2cccnc2n1C1CCN(C(=O)Nc2cccc(F)c2)CC1 12144606 CGAQLQLBPIUVKX-UHFFFAOYSA-N 353.401 3.748 0 40 FHAB C[C@H](NC(=O)c1ccc2c(c1)NC(=O)C(C)(C)O2)c1ccc2c(c1)CCC2 12194634 XTASWRPMADHPLG-ZDUSSCGKSA-N 364.445 3.776 0 40 FHAB CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc2nccnc2c1 12420892 MZLWNEMLBBHRGS-IBGZPJMESA-N 350.809 3.981 0 40 FHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)c(C)c1 13676286 YADPUXYXSBUICM-UHFFFAOYSA-N 365.476 3.694 0 40 FHAB CCc1noc(C)c1C(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1 14201790 KWRASJJYFPBVIA-UHFFFAOYSA-N 373.434 3.938 0 40 FHAB C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NCc1ccc(Cl)cc1 16827163 DKBBMJAZPRUDTF-GFCCVEGCSA-N 357.793 3.530 0 40 FHAB O=c1[nH]c2ccccc2c(Oc2ccccc2)c1I 16942656 QGQINRXPGQAWNB-UHFFFAOYSA-N 363.154 3.925 0 40 FHAB COc1ccc([C@H]2CC(=O)c3cnn(-c4ccccc4F)c3C2)c(OC)c1 17075206 JTKGUCSCAOSRKY-CYBMUJFWSA-N 366.392 3.941 0 40 FHAB CCn1c(CN2CC[C@](C)(c3ccccc3)C2)nc2cc(C(=O)O)ccc21 652428426 KQPAUNZTWSXFGX-QFIPXVFZSA-N 363.461 3.918 0 40 FHAB CSc1cccc2sc(N3CCN(C(=O)C4CCCC4)CC3)nc12 35590378 DQMXCMLCZCCYEL-UHFFFAOYSA-N 361.536 3.857 0 40 FHAB COc1ccc([C@H]2CCCN2CC(=O)N[C@H](C)c2ccc(F)cc2)cc1 36446855 PSPBAPPKMZWSEN-FOIQADDNSA-N 356.441 3.849 0 40 FHAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)C1 10640650 BXYXIPYUICTAHF-INIZCTEOSA-N 369.486 3.929 0 40 FHAB CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccccc4F)cc1c32 1829487 YBGURPJMGACGLO-UHFFFAOYSA-N 365.360 3.770 0 40 FHAB Cc1nc(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cs1 4034703 OXTHLNRFVHLMQI-UHFFFAOYSA-N 360.460 3.722 0 40 FHAB Cc1[nH]c2c(C)cccc2c1CCNC(=O)c1cc2ccccc2oc1=O 4581457 PHUUOYKHERLCHD-UHFFFAOYSA-N 360.413 3.864 0 40 FHAB Cc1ccc(S(=O)(=O)c2nc(NC[C@H]3CCCO3)sc2Cl)cc1 5043364 PDMPWYLYNZCOLH-LLVKDONJSA-N 372.899 3.529 0 40 FHAB O=C(CSc1nnc2ccc(-c3ccccc3)nn12)c1cccs1 5167369 BJFBKLJKTLGOFF-UHFFFAOYSA-N 352.444 3.828 0 40 FHAB O=S(=O)(c1cccc2ccccc12)N1CCO[C@@H](c2ccccc2)C1 12441616 HGWHLKUJMZNTSO-LJQANCHMSA-N 353.443 3.602 0 40 FHAB COc1ccc(-c2nnc(NC(=O)c3cccc(C)c3)s2)cc1OC 16994589 XPQIYOCHUUNIHW-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB O=C(NC[C@H](c1cccs1)N1CCOCC1)Nc1ccc(Cl)cc1 23105634 POMTXMFNNMQNNH-OAHLLOKOSA-N 365.886 3.597 0 40 FHAB CSc1ccc(/C=C/C(=O)NC[C@@](C)(O)CCc2ccccc2)cc1 206708265 ZRDMCMAMEGYAEY-BGVYSJOJSA-N 355.503 3.922 0 40 FHAB COCCN(Cc1ccoc1)C(=O)CCc1ccccc1Br 207975801 DALILJHTZDZFJN-UHFFFAOYSA-N 366.255 3.650 0 40 FHAB O=C(/C=C\c1ccc2c(c1)OCO2)Nc1nc(-c2cccnc2)cs1 35586292 IGWBSPPOZPVWBX-XQRVVYSFSA-N 351.387 3.586 0 40 FHAB O=C(NCC[C@@H](CCO)c1ccsc1)c1cccc(Br)c1 575605646 BWSZACGOHMQPDM-LBPRGKRZSA-N 368.296 3.797 0 40 FHAB C[C@@H](Sc1nnc(N2CCCC2)n1C1CC1)C(=O)c1ccc(F)cc1 78410848 NAFFISAVUSMICZ-GFCCVEGCSA-N 360.458 3.716 0 40 FHAB CC(C)N(Cc1ccccc1)C(=O)C1CCN(C(=O)c2ccccc2)CC1 9340595 ISCSVPVNRXQLMB-UHFFFAOYSA-N 364.489 3.976 0 40 FHAB Cc1nc2ccccc2nc1N1CCN(Cc2ccc(Cl)cc2)CC1 30003759 AZELJLHRZHGZRF-UHFFFAOYSA-N 352.869 3.914 0 40 FHAB COc1ccc(C2=CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 40119689 JVDCGBHFTQNRKQ-UHFFFAOYSA-N 353.418 3.642 0 40 FHAB O=C(NCc1cccc(OCc2ccccn2)c1)c1ccc(F)c(F)c1 40106887 JWZDGCWJDPPEQX-UHFFFAOYSA-N 354.356 3.869 0 40 FHAB COc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2cc(F)ccc2F)ccc1O 40268247 RKLVGXOXFGTVTB-LBPRGKRZSA-N 371.343 3.988 0 40 FHAB COc1cc([C@H](C)NC(=O)N(C)C(C2CC2)C2CC2)cc(OC)c1OC 51272834 QIXWHRJVBUTRMM-LBPRGKRZSA-N 362.470 3.603 0 40 FHAB O=C(N[C@H](c1ccccc1)C1CC1)[C@@H]1CCCN(C(=O)c2cccs2)C1 32760250 IASUYYHBLWGVKN-IEBWSBKVSA-N 368.502 3.868 0 40 FHAB O=C(CSc1ccc(F)cc1)NC[C@@H](c1cccs1)N1CCCC1 32761388 LTKGGZZPBJNGPM-INIZCTEOSA-N 364.511 3.933 0 40 FHAB CC(=O)Nc1cccc(NC(=O)c2cc(Cl)c3c(c2)OCCO3)c1C 32753720 DWZXMMCGJGDAQU-UHFFFAOYSA-N 360.797 3.630 0 40 FHAB COc1ccccc1NC(=O)C1CCN(CCO[C@H]2CCCC[C@H]2C)CC1 52641791 ZPSNMRGEGSYDPO-XLIONFOSSA-N 374.525 3.941 0 40 FHAB CC[C@H](C)[C@@H](CO)NC(=O)c1sc(-c2ccccc2Cl)nc1C 12407995 JWBZAQHBGAYKIK-IINYFYTJSA-N 352.887 3.909 0 40 FHAB O=C(NCCCCCCNC(=O)c1cccc(F)c1)c1cccc(F)c1 3066248 PPOCPDNRNALPLF-UHFFFAOYSA-N 360.404 3.685 0 40 FHAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)C1 12536165 GCOKTZCWPAUSAX-HOTGVXAUSA-N 372.490 3.606 0 40 FHAB CCOC(=O)CCCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1691737 WJZZGZGHEYFAJF-UHFFFAOYSA-N 361.463 3.534 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)O)c(O)c1 1699869 IYVQSOWJCLATKA-QMMMGPOBSA-N 370.188 3.803 0 40 FHAB C[C@H](NC(=O)COC(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 3488746 KLFCOEFPJBYGLE-LBPRGKRZSA-N 366.244 3.957 0 40 FHAB CC(C)(C)n1nc2c(c1NC(=O)c1cccc3ccccc13)C[S@](=O)C2 4106310 XQTUDZAOJIQVAE-AREMUKBSSA-N 367.474 3.806 0 40 FHAB Cc1ccc(NC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c(C)c1 4159244 DSKWVNIHGIPFNP-LJQANCHMSA-N 364.445 3.953 0 40 FHAB Cc1ccc(NC(=S)NCCc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 4225413 GSBWOYACBJHMIE-UHFFFAOYSA-N 365.502 3.982 0 40 FHAB O=C(CCc1ccc2ccccc2n1)Nc1ccccc1N1CCOCC1 12533825 ZBNTZFZLVJOJSN-UHFFFAOYSA-N 361.445 3.643 0 40 FHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc2c(c1)OCO2 4962831 JPUQYPULZQTDSH-UKPHBRMFSA-N 362.422 3.576 0 40 FHAB Cc1ccccc1N1C[C@@H](C(=O)Nc2nc3ccccc3s2)CC1=O 4975529 PMYKKNMWHAGJAJ-ZDUSSCGKSA-N 351.431 3.596 0 40 FHAB O=C(Cc1ccc2c(c1)OCCO2)Nc1nc(-c2ccc(F)cc2)cs1 7060819 LJAKKMNOEHIKNA-UHFFFAOYSA-N 370.405 3.902 0 40 FHAB Cc1ccc(CN(C)S(=O)(=O)c2ccc(Br)s2)cc1 7217008 RWHXAURMRVCYKK-UHFFFAOYSA-N 360.298 3.640 0 40 FHAB CC[C@@H](C)Oc1ccc(NC(=O)CCc2nc(-c3cccnc3)no2)cc1 55642008 IGSLBMYYNJCHKL-CQSZACIVSA-N 366.421 3.880 0 40 FHAB Cc1cc(C)cc(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 7952036 FXHYLFKYCMAZKA-UHFFFAOYSA-N 358.869 3.684 0 40 FHAB CC(C)(C)c1ccc(OCCC(=O)OCC(=O)NCc2ccccc2)cc1 8194421 HLVMQOIEXOOQNR-UHFFFAOYSA-N 369.461 3.613 0 40 FHAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 8726480 WHOUDAGLWNCQGB-HIGJEIRPSA-N 350.462 3.587 0 40 FHAB COc1ccc([C@H](C)NC(=O)Nc2ccn(-c3ccccc3)n2)c(OC)c1 43621401 PSVVJYBYTMUWHF-AWEZNQCLSA-N 366.421 3.772 0 40 FHAB O=C(CSc1ncnc2ccccc12)Nc1ccc(OC(F)F)cc1 3253512 PBWRSEIRENBHCK-UHFFFAOYSA-N 361.373 3.962 0 40 FHAB COc1ccc(OC[C@@H]2[C@@H]3CC[C@H](C3)N2C(=O)c2sc(C)nc2C)cc1 100113343 GLSHSTPPYBNSSP-IIDMSEBBSA-N 372.490 3.841 0 40 FHAB CCOC(=O)c1ncccc1NC(=O)c1ccc(-c2ccccc2F)o1 109047489 RIECJNGZEOLVLN-UHFFFAOYSA-N 354.337 3.910 0 40 FHAB Nc1nnc(SCc2csc(COc3ccccc3)n2)n1C1CC1 58227718 KMNAWYPWHLLCBU-UHFFFAOYSA-N 359.480 3.523 0 40 FHAB CSc1ncc(Br)c(C(=O)Nc2c(C)cccc2C)n1 27741955 HIUWSJUERFHJKL-UHFFFAOYSA-N 352.257 3.830 0 40 FHAB CC(C)n1ncc2cc(C(=O)N[C@H]3CCSc4ccccc43)cnc21 12783128 NLMSPODINWEDRW-INIZCTEOSA-N 352.463 3.979 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCCN1CCCC[C@H]1CC 20490985 DVQKKJLAHZBQCH-IEBWSBKVSA-N 350.478 3.754 0 40 FHAB O=C1c2ccccc2C(=O)N1CN(C(=O)Cc1ccccc1)c1ccccc1 59502359 FHGVNNUOQPCPSD-UHFFFAOYSA-N 370.408 3.516 0 40 FHAB CCOC(=O)c1sc(=S)n(C)c1NC(=O)c1ccc(Cl)cc1 2358836 AYJKNTAZXPUHAU-UHFFFAOYSA-N 356.856 3.898 0 40 FHAB O=C(NCCc1cnn(-c2ccccc2)c1)c1ccc(C(F)(F)F)cc1 11147219 STPRXHDNGXPFQL-UHFFFAOYSA-N 359.351 3.864 0 40 FHAB Cc1ccc(-c2cc(C(F)(F)F)nc(N(C)Cc3ccn(C)n3)n2)s1 36618622 CVXRUQQAZZEQPI-UHFFFAOYSA-N 367.400 3.902 0 40 FHAB C[C@H](CC(=O)NCCNC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 60158536 LDRUFZYLVAEVKQ-GFCCVEGCSA-N 374.403 3.840 0 40 FHAB O=C([C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21)N1CCCCCC1 46463406 RXVWUOJWKKHSHR-RBUKOAKNSA-N 354.494 3.785 0 40 FHAB CCCc1cc(C(=O)OCC)c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)s1 2767481 FKWCOLVJWHZVLL-STQMWFEESA-N 367.467 3.707 0 40 FHAB Cc1nc2ccc(C(=O)Nc3cccc(-n4nccc4C)c3)cc2nc1C 61197066 LAFZJCHVQFXNHX-UHFFFAOYSA-N 357.417 3.993 0 40 FHAB O=C(NCCn1c(C(F)(F)F)nc2ccccc21)c1ccc(F)cc1 12360416 HBVKWWKPNRLZMX-UHFFFAOYSA-N 351.303 3.624 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)c3ccc(F)cc3)cc2)n1 3469197 GMHCGIAOOAZZIQ-UHFFFAOYSA-N 352.365 3.668 0 40 FHAB CCCN1C(=O)N[C@@H](c2cccc(Cl)c2Cl)C(C(=O)OC)=C1C 13011029 RJDVBZHPFNGSBU-AWEZNQCLSA-N 357.237 3.917 0 40 FHAB COc1cccc([C@H](Nc2ncnc3sccc23)c2nccn2C)c1 9318053 SSZZYXJXWLOGIG-HNNXBMFYSA-N 351.435 3.635 0 40 FHAB CSc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)N2CCCCC2)cc1 13659428 XRIUZNMGGNCTMP-SAPNQHFASA-N 370.474 3.785 0 40 FHAB C[C@@H]1CCc2sc3ncn4c(-c5ccc6c(c5)OCO6)nnc4c3c2C1 13728122 HLETYXYJRMXFRJ-SNVBAGLBSA-N 364.430 3.860 0 40 FHAB CC(C)(C)OC(=O)NCC1(CC(=O)NCc2ccncc2)CCCCC1 13731149 KDNZGZDDABNXTC-UHFFFAOYSA-N 361.486 3.563 0 40 FHAB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3ccnn3C(C)C)n2)cc1 5180562 OXCHAAFOVHEYJR-UHFFFAOYSA-N 370.482 3.542 0 40 FHAB O=C(CSc1ccc(C(F)(F)F)cn1)N1CCc2ccccc2C1 39969214 WEMRHQZFCNPEIH-UHFFFAOYSA-N 352.381 3.777 0 40 FHAB O=C(OCCOc1c(Cl)cccc1Cl)c1cn2ccccc2n1 5268086 VEDFRVAKIDMVCQ-UHFFFAOYSA-N 351.189 3.877 0 40 FHAB CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)CC)cc1)c1ccc(C)cc1 22514610 JAMJLCZODIBERF-IBGZPJMESA-N 374.506 3.662 0 40 FHAB O=C(N[C@@H](Nc1ccccc1F)C(=O)c1ccccc1)c1cccs1 4714270 IBCMMGAEVGKTBU-GOSISDBHSA-N 354.406 3.938 0 40 FHAB c1ccc2c(OCc3nn4c(-c5ccncc5)nnc4s3)cccc2c1 19898729 BHANMUGQULMMQO-UHFFFAOYSA-N 359.414 3.980 0 40 FHAB CCc1ccc2nc(NC(=O)C[C@H]3Oc4ccccc4NC3=O)sc2c1 5937950 VITATGIJPGCVFL-OAHLLOKOSA-N 367.430 3.587 0 40 FHAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C)c(C)n1-c1nccs1 7235558 QVSOMDQUEKTXBB-UHFFFAOYSA-N 373.507 3.532 0 40 FHAB Fc1ccc(CN2CC[C@@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)cc1 306142154 WRNNJBVLUGFNET-HXUWFJFHSA-N 369.465 3.926 0 40 FHAB COc1cccc(NC(=O)CN(C)C(=O)CSc2ccc(C)cc2C)c1 7695950 RHHHYYFWJFFYKA-UHFFFAOYSA-N 372.490 3.501 0 40 FHAB COc1cccc(C(=O)Nc2c(SC)cnn2-c2ccccc2)c1F 90653791 YTULJUFJLZGHOR-UHFFFAOYSA-N 357.410 3.994 0 40 FHAB O=S(=O)(Nc1ccc(Br)cc1F)c1cc(F)cc(F)c1 16129471 JKEGAUUWBFTSIT-UHFFFAOYSA-N 366.158 3.667 0 40 FHAB O=C(CSc1nc2ccccc2o1)NCCOc1ccc(Cl)cc1 7883779 VZTONTCJUDJGSB-UHFFFAOYSA-N 362.838 3.769 0 40 FHAB COc1cc(NC(=O)N(CCO)C2CCCCC2)c(OC)cc1Cl 95467028 LNDXUDZZNKVILC-UHFFFAOYSA-N 356.850 3.516 0 40 FHAB CCC[C@H](Sc1nnc(-c2ccccc2)n1C)C(=O)Nc1cc(C)on1 8774539 GUDUQGKIJSLHKU-AWEZNQCLSA-N 371.466 3.678 0 40 FHAB C[C@@H](NC(=O)CSc1nncc(-c2cccs2)n1)c1ccc(F)cc1 8744741 PWVHFMXXWDXGCN-LLVKDONJSA-N 374.466 3.709 0 40 FHAB CCC(CC)CN(CC)C(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 72280320 GPKPFHJCVWRWPL-UHFFFAOYSA-N 368.543 3.615 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCc1ccc(OC)cc1 29762425 QAUTXPIMSDZIKG-OAHLLOKOSA-N 354.450 3.795 0 40 FHAB COc1cc(NC(=S)Nc2ccc(F)c(C)c2)cc(OC)c1OC 71326117 JTDVERHVFGNEOG-UHFFFAOYSA-N 350.415 3.969 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)NCc1nc(-c2cccc(C)c2)no1 219583527 QAMFRKNPIDDZGH-MRXNPFEDSA-N 369.396 3.658 0 40 FHAB CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 30858437 YFDIKTRSNCIVCV-LBPRGKRZSA-N 366.870 3.669 0 40 FHAB CN1CCC(NC(=O)c2cccc(OCc3ccccc3Cl)c2)CC1 219847890 DHBJBVNMSCWPMT-UHFFFAOYSA-N 358.869 3.743 0 40 FHAB COc1cccc(O[C@@H](C)C(=O)NCCSCc2cccc(C)c2)c1 30853554 VRVMMVNXNXQNKR-INIZCTEOSA-N 359.491 3.821 0 40 FHAB Nc1cccc(Cl)c1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 72230199 QSNLBUMEGUHGSI-UHFFFAOYSA-N 350.249 3.538 0 40 FHAB CCc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(-n2cnnc2)c1 32646890 CIBNRLIRHDWSTL-UHFFFAOYSA-N 356.813 3.501 0 40 FHAB CSc1nc(Cl)cc(NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 72203263 WTAOOERIRZFVKA-NSHDSACASA-N 372.922 3.911 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)NCCOc2cccc3ccccc23)c1 223572376 AOKGKOKGBHPYOU-UHFFFAOYSA-N 355.459 3.814 0 40 FHAB COc1ccc(-c2noc(CNC(=O)c3cc(C)c(C)cc3C)n2)cc1 225652621 APMLJSJLUKCWPH-UHFFFAOYSA-N 351.406 3.600 0 40 FHAB CCc1ccc(CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 223705811 SLZBOSSXTQTREW-UHFFFAOYSA-N 352.478 3.903 0 40 FHAB CC[C@H](C)NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(C)cc2)c1 224303041 SEHUROHHDUDUQE-INIZCTEOSA-N 374.506 3.657 0 40 FHAB COc1cccc(C(=O)Nc2nnc(SCC(C)C)s2)c1OC 225050009 YFWJTIJJMPDGHJ-UHFFFAOYSA-N 353.469 3.556 0 40 FHAB COc1ccc([C@H]2CC(=O)c3sc(Br)nc3C2)cc1OC 85390002 BRNDHPPSOCJEHO-SECBINFHSA-N 368.252 3.836 0 40 FHAB Cc1ccc(C(=O)Nc2nn3c(-c4cccc(F)c4)nnc3s2)cc1F 41076541 IELRTNXYEOWVFE-UHFFFAOYSA-N 371.372 3.692 0 40 FHAB C[C@H]1CCc2nc(NC(=O)C[C@@H](CC(=O)O)c3cccs3)sc2C1 223111033 XCKGYPDIRDRVHH-QWRGUYRKSA-N 364.492 3.917 0 40 FHAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)c1 224266159 KKQZBBXRWDGPAM-IETOAOCLSA-N 364.445 3.664 0 40 FHAB CCCCCNC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 225805433 GEHCACAXDFUILO-UHFFFAOYSA-N 355.360 3.994 0 40 FHAB CCN(CC)c1ccc(N)cc1NC(=O)c1cncc(Br)c1 226260755 OQXUSKVBFXVQRP-UHFFFAOYSA-N 363.259 3.525 0 40 FHAB Cc1ccnc(NS(=O)(=O)c2cc(Br)c(C)cc2C)c1 95946073 NEPUPEOTNFKFIL-UHFFFAOYSA-N 355.257 3.570 0 40 FHAB Cc1sc(Cl)nc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 96232698 BRFSGOICSPIYDV-UHFFFAOYSA-N 371.289 3.882 0 40 FHAB Cc1cccc(CN2CCc3c(COCC4CC4)nn(C(C)C)c3C2)n1 96085024 RSXIXDZAVSQLNT-UHFFFAOYSA-N 354.498 3.652 0 40 FHAB Clc1ccc(CN2CC[C@H](Oc3cccnc3N3CCCC3)C2)cc1 581337161 XTQWHINZSFUTIH-SFHVURJKSA-N 357.885 3.989 0 40 FHAB O=C(c1ccc(Cl)cc1)N1C[C@H](OCc2nc3ccccc3[nH]2)[C@H](F)C1 96112023 ZEJCPZHFDUJKTD-PBHICJAKSA-N 373.815 3.596 0 40 FHAB biogenic,in-vitro C[C@H]1CCCN([C@H](c2cccs2)c2nnnn2CCc2ccccc2)C1 245230731 XTBUYGUTNMGODQ-QFBILLFUSA-N 367.522 3.799 0 40 FHAB COc1ccc([C@H](C)NCc2c(C)nc3sc(C)nn23)c(C)c1OC 585084664 JFMHSKMLUHRVKT-NSHDSACASA-N 360.483 3.584 0 40 FHAB Cc1csc2c(N3CC[C@](CO)(Cc4ccc(F)cc4)C3)ncnc12 585083489 QLUPDGVBMMWKLH-IBGZPJMESA-N 357.454 3.570 0 40 FHAB NC(=O)[C@@]1(c2ccccn2)CCCN1Cc1ccccc1Oc1ccccc1 257268042 MJZHKCKUPCMYIY-QHCPKHFHSA-N 373.456 3.851 0 40 FHAB C[C@@H](C(=O)N[C@H](CO)c1ccccc1)c1ccc(C[C@@H]2CCCC2=O)cc1 253406640 JBTQCLUCMSKYRC-TYCQWZJGSA-N 365.473 3.552 0 40 FHAB COC[C@@H](NC(=O)c1ccccc1N1CCCCC1)c1cccc(OC)c1 622920218 ONCGJRSBPDUOIM-HXUWFJFHSA-N 368.477 3.803 0 40 FHAB O=C(NC[C@@H](O)c1ccc2c(c1)CCO2)Nc1ccc(Cl)c(Cl)c1 90611426 KXVVFAREJKLAPV-OAHLLOKOSA-N 367.232 3.783 0 40 FHAB O=C(Nc1cnn(C[C@H]2CCCCO2)c1)c1ccc(C(F)(F)F)cc1 390825849 IOBPLHNIYJNCHY-OAHLLOKOSA-N 353.344 3.723 0 40 FHAB CCCc1ccc(-c2ccc(NC(=O)[C@H]3CC[C@@H](C(=O)O)NC3)cc2)cc1 657221935 ZUZWBMRHFRFKHS-ICSRJNTNSA-N 366.461 3.697 0 40 FHAB Oc1nc2ccc(I)cc2c(O)c1-c1ccccc1 685936915 CMCIAYSLNNUHFY-UHFFFAOYSA-N 363.154 3.918 0 40 FHAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC[C@@H](c2cccs2)C1 828388931 SZMFUMPKDDOPPO-LLVKDONJSA-N 361.410 3.945 0 40 FHAB C/C=C/c1cc(C(=O)N[C@H](CN(C)C)c2ccccc2)cc(OC)c1OC 32216408 UUNACNZBLQCZET-ZAOIQFLMSA-N 368.477 3.770 0 40 FHAB NC(=O)Nc1ccc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)cc1 56343405 UKSYJTZEAGXOPX-LJQANCHMSA-N 361.401 3.936 0 40 FHAB COC(=O)[C@@H]1CCN(C(=O)c2ccccc2C(F)(F)F)[C@H]2CCCC[C@H]21 598866382 JQRCHUZJBODTKZ-ZENOOKHLSA-N 369.383 3.899 0 40 FHAB Cc1sc2nc(C)n(C3CCN(C(=O)C4CCCC4)CC3)c(=O)c2c1C 12145429 NHMVCPJPYRBELQ-UHFFFAOYSA-N 373.522 3.737 0 40 FHAB O=C(NCc1nc(-c2ccccc2Cl)no1)C1(c2ccccc2F)CC1 12201298 JMKHVVPHWZNLLG-UHFFFAOYSA-N 371.799 3.877 0 40 FHAB Cc1ncc2c(n1)C1(CCN(Cc3ccc(OC(C)C)cc3)CC1)OCC2 12337915 OGERYZUYLSKMBU-UHFFFAOYSA-N 367.493 3.636 0 40 FHAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)c1 13685678 NRDZWBQBOJRASA-MRXNPFEDSA-N 354.450 3.848 0 40 FHAB CCOc1cc([C@@H]2CC(=O)Nc3c2cnn3-c2cccc(F)c2)ccc1O 14000937 TWHRTLIVBRFXBT-HNNXBMFYSA-N 367.380 3.590 0 40 FHAB COc1c(F)c(F)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(F)c1F 14258540 JXTJDHURFMBANE-UHFFFAOYSA-N 357.347 3.950 0 40 FHAB CCOc1ccc(C)cc1-c1csc(NC(=O)Cn2cc(C)cn2)n1 19519876 VEANCELMPIQEFC-UHFFFAOYSA-N 356.451 3.661 0 40 FHAB Fc1ccc(OCCc2cc([C@@H]3CCCN3Cc3cccnc3)n[nH]2)cc1 19703679 YXJCARDMSBNPHP-NRFANRHFSA-N 366.440 3.902 0 40 FHAB O=C(c1ccccc1)N1CC[C@@H](c2cc(COc3cccc(F)c3)[nH]n2)C1 19738939 WJFRCRHMYYAOKI-MRXNPFEDSA-N 365.408 3.758 0 40 FHAB CCc1s/c(=N\c2ccc(F)c(Cl)c2)n(C(C)=O)c1OC(C)=O 5375721 RRLZVMQGOPOPFU-SDXDJHTJSA-N 356.806 3.722 0 40 FHAB C[C@@H](C(=O)NCc1ccccc1)N(C)Cc1ccccc1Br 16388258 PJWUXVDWCIOUCH-AWEZNQCLSA-N 361.283 3.586 0 40 FHAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1F 25655910 RTJCAEOZXBDTMZ-SNVBAGLBSA-N 358.232 3.628 0 40 FHAB Cc1cccc(CN2C(=O)CCC23CCN(CC2CCCCC2)CC3)n1 1201390143 RVHQGXXREWTFJQ-UHFFFAOYSA-N 355.526 3.927 0 40 FHAB CCc1nnc(NC(=O)CSc2ccc(-c3ccc(C)cc3)nn2)s1 4356076 WQQPVULWWBIRMF-UHFFFAOYSA-N 371.491 3.597 0 40 FHAB COc1ccc(NC(=O)NC[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 9040187 HQQBEUCKJWLBHJ-ZDUSSCGKSA-N 373.840 3.523 0 40 FHAB COc1ccc2nc(-c3cccc(NC(=O)c4cccc(C)c4)c3)cn2n1 11693395 ASXIIWZNOFDVHB-UHFFFAOYSA-N 358.401 3.966 0 40 FHAB COc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2CCC[C@H](C)C2)cc1 34690426 KMUYYDKGQKKFLS-LRDDRELGSA-N 372.494 3.635 0 40 FHAB CCOC[C@H]1CCCN(C(=O)NCc2ccc(N3CCCCC3)cc2)C1 73044305 PAKWKGXZJREPSC-IBGZPJMESA-N 359.514 3.635 0 40 FHAB CNC(=O)c1ccc(/C=C/C(=O)NCCC23CC4CC(CC(C4)C2)C3)cc1 40058520 WJJCGENJSNRVDZ-QPJJXVBHSA-N 366.505 3.782 0 40 FHAB CC(C)CS(=O)(=O)CCC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 40117682 GSGQZABJLMPZEN-QGZVFWFLSA-N 373.518 3.992 0 40 FHAB COc1ccccc1-c1ccc(=O)n(Cc2cccc(Br)c2)n1 40285637 XIFZGOMIBATJGA-UHFFFAOYSA-N 371.234 3.730 0 40 FHAB COc1cccc(CC(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)c1 31961010 VRKZXXMGHXAJSL-UHFFFAOYSA-N 373.474 3.593 0 40 FHAB O=C(NCc1cccs1)c1cnn(-c2ccccc2F)c1-n1cccc1 32796474 MICPDTMMRXREFW-UHFFFAOYSA-N 366.421 3.794 0 40 FHAB C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1cccs1)c1cccc(Cl)c1 32973806 DSSWFAXTZFXUNL-SWLSCSKDSA-N 362.882 3.884 0 40 FHAB CC(=O)Nc1ccc2nc(NC(=O)COc3ccccc3C)sc2c1 814045 LLMDQGMHGAKLKL-UHFFFAOYSA-N 355.419 3.581 0 40 FHAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3nccs3)C(=O)[C@H]12 840251 OIVNAPMEONAQFY-RKQJOMJXSA-N 372.449 3.714 0 40 FHAB CCC(=O)N(Cc1cc2ccc(OC)cc2nc1Cl)C[C@@H]1CCCO1 1329037 VFHPIRFIVVFQRD-INIZCTEOSA-N 362.857 3.814 0 40 FHAB CCOC(=O)c1cnc(-n2cc(C)cn2)nc1Nc1ccc(C)c(Cl)c1 2195205 WSOUYNLUUXHWII-UHFFFAOYSA-N 371.828 3.853 0 40 FHAB CC[C@@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3ccccc3)N2C1=O 2463443 YGJKUQALZSSWTA-HOCLYGCPSA-N 358.463 3.677 0 40 FHAB COc1cccc(-n2ccnc2SCC(=O)Nc2cccc(F)c2)c1 2723143 MWYPXOKJIZDBJB-UHFFFAOYSA-N 357.410 3.751 0 40 FHAB CCOc1ccc([C@]2(O)CN(c3ccccc3C)C3=[N+]2CCCC3)cc1 2966434 ITYFREBULDKZJN-JOCHJYFZSA-N 351.470 3.654 0 40 FHAB O=C(COC(=O)c1ccccc1F)Nc1ccc(SC(F)F)cc1 3241977 MRRBZECWCDJPRU-UHFFFAOYSA-N 355.337 3.936 0 40 FHAB CCOc1ccc(NC(=O)[C@@H](NC(=O)C2CCC(C)CC2)C(C)C)cc1 3895800 AIKAWQWPZIKUSQ-RJYAGPCLSA-N 360.498 3.991 0 40 FHAB Cc1cccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Cl)cc2)c1 4157245 FUVCQHLKNSHJOW-UHFFFAOYSA-N 359.809 3.793 0 40 FHAB COc1cc(CNc2ncc(-c3ccccc3)n2C)cc(OC)c1OC 4678345 QFYXJCFVPZBJPJ-UHFFFAOYSA-N 353.422 3.725 0 40 FHAB COc1ccc(OCCSc2nc(-c3ccc(OC)cc3)n[nH]2)cc1 4736062 NTOFAFUAHZHTQJ-UHFFFAOYSA-N 357.435 3.660 0 40 FHAB CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccoc1C 4860512 AWEZNKNWVBFMRG-UHFFFAOYSA-N 372.450 3.606 0 40 FHAB COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(C)=O)c1 5107047 WWGXZMMNMQTALT-UHFFFAOYSA-N 354.362 3.661 0 40 FHAB Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1Cl 5388295 HTXCLTVIXQCKME-UHFFFAOYSA-N 353.809 3.511 0 40 FHAB O=c1[nH]c(SCc2ccc3nsnc3c2)nc2ccc(Cl)cc12 5491283 ZMQLGZDZRBPMOX-UHFFFAOYSA-N 360.851 3.874 0 40 FHAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)/C=C/c2ccc(O)c(OC)c2)cc1 5666578 VLQJWMMFMMLYTB-TZWLIRKLSA-N 370.401 3.627 0 40 FHAB CCCn1nc(C(=O)Nc2cc(Cl)ccc2OC)c2ccccc2c1=O 6431976 FJNNUPVFGBEJDN-UHFFFAOYSA-N 371.824 3.721 0 40 FHAB CCCCC(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 6516124 FTGZZBPCZPTMDT-UHFFFAOYSA-N 365.477 3.778 0 40 FHAB C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(-n2cncn2)cc1 6540952 MIFAWRMEQYJTQA-ZDUSSCGKSA-N 374.366 3.706 0 40 FHAB COCCCNc1nc(SC)nc2c3c(sc12)CC(C)(C)OC3 6662229 WCZJKPNURRTXSG-UHFFFAOYSA-N 353.513 3.713 0 40 FHAB O=C(CSc1nccn(-c2ccccc2)c1=O)Nc1cccc(Cl)c1 6915212 FKSGXGAFPBFHHV-UHFFFAOYSA-N 371.849 3.617 0 40 FHAB COc1cc(NC(=O)c2noc3c2C[C@@H](C)CC3)c(OC)cc1Cl 7000215 FHVIJPNMPLTKBD-VIFPVBQESA-N 350.802 3.722 0 40 FHAB COc1ccc(Br)cc1S(=O)(=O)Nc1cc(C)cc(C)c1 7056387 YSNINQLIDSLBKO-UHFFFAOYSA-N 370.268 3.875 0 40 FHAB COc1ccc(CCN2C(=O)c3ccccc3N[C@H]2c2cccn2C)cc1 7088116 YHPSLZCMNPJDDK-OAQYLSRUSA-N 361.445 3.843 0 40 FHAB COc1ccc(OC)c(C(=O)CN(C2=NCCCS2)c2ccccc2)c1 7275085 IYVYTWCIUSCBOI-UHFFFAOYSA-N 370.474 3.886 0 40 FHAB Cc1nnc(SCC(=O)c2ccc(Br)cc2)n1C1CC1 7617325 JQGJQTJFMATCLV-UHFFFAOYSA-N 352.257 3.659 0 40 FHAB Cc1nnc(COC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)o1 7702370 UYYNGVJIRYPWIC-UHFFFAOYSA-N 366.402 3.649 0 40 FHAB CC(C)C[C@@H](C(=O)OCc1ccccc1F)N1C(=O)c2ccccc2C1=O 7782376 NJANPLLYYPGDNR-SFHVURJKSA-N 369.392 3.580 0 40 FHAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)[C@H]1Cc2ccccc2O1 7960686 AISGIZHGJQHRSK-LJQANCHMSA-N 374.444 3.614 0 40 FHAB COc1ccc(Cl)cc1CC(=O)N(C)CC(=O)Nc1cccc(C)c1C 7965007 KVHNJEYJUJYUOS-UHFFFAOYSA-N 374.868 3.605 0 40 FHAB COc1cc(NC(=O)c2cc(Cl)c3c(c2)OCO3)c(OC)cc1Cl 8305478 JPPVRYWMVLTKBT-UHFFFAOYSA-N 370.188 3.992 0 40 FHAB COc1c(Cl)cc(C(=O)NCCc2nc3ccccc3[nH]2)cc1Cl 8710137 ORWAARPAYVQTRI-UHFFFAOYSA-N 364.232 3.851 0 40 FHAB O=C(Nc1nnc(-c2ccc3c(c2)OCO3)s1)c1ccc(Cl)cc1 8769155 PIXJXBLQVFRARU-UHFFFAOYSA-N 359.794 3.840 0 40 FHAB COC(=O)c1ccc(/C=C2\CC(=O)N(c3cccc4ccccc34)C2=O)cc1 9530448 YKTXGPIXDFCPBX-QGOAFFKASA-N 371.392 3.973 0 40 FHAB COc1ccc(CN(C)[C@H](C)C(=O)Nc2cc(F)ccc2F)cc1F 9725408 OXRILPJMNPWHNF-LLVKDONJSA-N 352.356 3.572 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCCc1c[nH]c2ccccc12 10217895 DTOGKSZXBLPRSQ-JOCHJYFZSA-N 373.456 3.791 0 40 FHAB O=C(NOCc1ccccc1)c1nn(-c2ccc(F)cc2)c2c1CCCC2 10319622 TVKDCBZTLJYLEJ-UHFFFAOYSA-N 365.408 3.752 0 40 FHAB Cc1ccc(NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 10334058 DTNYPPPIYQTSAB-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB O=C(CSc1nc2cc(Cl)ccc2o1)Nc1ccc(C(=O)O)cc1 10489999 MMHBAEZOYFGKCQ-UHFFFAOYSA-N 362.794 3.910 0 40 FHAB O=C(OCc1nc(-c2ccc(F)cc2)no1)[C@H]1Cc2ccccc2S1 10909457 PHPOICMNZBKERT-OAHLLOKOSA-N 356.378 3.636 0 40 FHAB O=C(COc1cccc2ccc(N3CCCC3)nc12)N1CCc2ccccc21 11027626 NDXBJCDIQMCUCO-UHFFFAOYSA-N 373.456 3.803 0 40 FHAB COc1ccc(OC)c(-c2cc(C(=O)Nc3c[nH]c4ccccc34)[nH]n2)c1 12143744 XEXZJEZESZRLJE-UHFFFAOYSA-N 362.389 3.828 0 40 FHAB Cc1cc(-c2snnc2C2CCN(C(=O)C3CCCCC3)CC2)on1 12224051 ZLJDPJCSXHAYPW-UHFFFAOYSA-N 360.483 3.788 0 40 FHAB Cc1nc2cc([C@H]3CCCCN3Cc3ccc(F)cc3)nn2c(O)c1C 12337772 LRJUCWJOTQNHRN-GOSISDBHSA-N 354.429 3.918 0 40 FHAB Cc1c(S(=O)(=O)c2ccccc2)c(N)n(Cc2ccc(F)cc2)c1C 12372616 PNQTVURFWJTUKJ-UHFFFAOYSA-N 358.438 3.707 0 40 FHAB COC(=O)CCc1ccc(/C=C/C(=O)Nc2ccccc2OC(F)F)o1 12612246 VRYJPMROPGIXGB-CSKARUKUSA-N 365.332 3.639 0 40 FHAB Cc1ccccc1CN1CCc2nc3cc(C(C)(C)C)nn3c(O)c2C1 12666881 RTQHTSNEEODKHZ-UHFFFAOYSA-N 350.466 3.599 0 40 FHAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 12736214 OMJMUFYRKWEAAD-SFHVURJKSA-N 373.474 3.682 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)COc2cccc(C)c2)c(OC)c1 12778600 IBNMBCRUGQBHJC-IBGZPJMESA-N 355.434 3.755 0 40 FHAB CCc1ccccc1NC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)CC 13584006 WGFVSQBSSMQRDR-UHFFFAOYSA-N 372.490 3.604 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2c(C)nn(Cc3cccc(F)c3)c2C)cc1 14231599 JPIJSKUVENYAQL-UHFFFAOYSA-N 373.453 3.797 0 40 FHAB C[S@@](=O)c1ccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 14311942 PYCMFGFSISFDCS-QHCPKHFHSA-N 359.781 3.931 0 40 FHAB CSc1ncccc1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1 14398652 TULIARRBQQHUJJ-INIZCTEOSA-N 358.463 3.616 0 40 FHAB CC(C)N(C(C)C)S(=O)(=O)c1ccc(N(C)C2CCCCC2)nc1 15174149 KBQAEXCITFVGNK-UHFFFAOYSA-N 353.532 3.658 0 40 FHAB COc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C)c2)o1 15669895 JYDLGNDHYDLNBC-UHFFFAOYSA-N 355.419 3.784 0 40 FHAB Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C)o3)N(C)C)no2)cc1 15860402 XVFDRHXPSPVEKM-QGZVFWFLSA-N 353.422 3.584 0 40 FHAB CCc1ccc(/C=c2\sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1 16735636 IUOSFJBLRMPSAY-OZGAEJQKSA-N 373.481 3.740 0 40 FHAB CCCCCCn1c(=N)n(C[C@@H](O)COc2ccccc2)c2ccccc21 20331911 XWXYTLPJVCGZPU-GOSISDBHSA-N 367.493 3.942 0 40 FHAB CCc1c(C)nn(-c2nc3ccccc3[nH]2)c1OC(=O)Cc1ccccc1 20478034 GGQUCLDSWPKBIO-UHFFFAOYSA-N 360.417 3.768 0 40 FHAB CCC[C@@](O)(c1ccc(OC)cc1)[C@H](CN1CCOCC1)c1ccccc1 20756584 MCPXRMSANKDTNK-DHIUTWEWSA-N 369.505 3.799 0 40 FHAB O=C(NCCc1cccs1)C1=Cc2cc(Br)ccc2OC1 21095865 OYZLHEBWFPIIEH-UHFFFAOYSA-N 364.264 3.645 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1noc(-c2cccc(C)c2)n1 21806581 JBPFTIYIKVHCRG-MRXNPFEDSA-N 355.369 3.980 0 40 FHAB Cc1ccc(CN(C)C(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)c(C)c1 23040720 JPZONQXABSGBOW-SFHVURJKSA-N 370.518 3.876 0 40 FHAB COc1ccc(CCNCc2cc(OC)c(OC(F)F)c(OC)c2)cc1 23409452 RNSWVILTDQBSTL-UHFFFAOYSA-N 367.392 3.646 0 40 FHAB CC(C)(C)C(=O)N1CCC(C(=O)N2CC=C(c3ccc(F)cc3)CC2)CC1 23641300 GHWILZMHTUKQFC-UHFFFAOYSA-N 372.484 3.726 0 40 FHAB Cc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c2c(C)nn(C)c2n1 28229334 IAXIDZHEUNZHAM-UHFFFAOYSA-N 362.477 3.680 0 40 FHAB O=C1c2cccc3cccc(c23)N1CN1CCO[C@H](c2ccc(F)cc2)C1 29895635 WJWGDNHUIFMSNG-FQEVSTJZSA-N 362.404 3.970 0 40 FHAB O=C(Nc1ccc(O)cc1)[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 32103177 RHPUFNSZIXZMEG-JTQLQIEISA-N 365.216 3.691 0 40 FHAB CC(C)Oc1ccc(NC(=O)c2ccc(-n3ccnc3)nc2)cc1Cl 32370717 NEOBGOKDFHFPNK-UHFFFAOYSA-N 356.813 3.960 0 40 FHAB CC(C)[C@@H](NC(=O)N(C)Cc1ccc(C(N)=O)cc1)c1ccc(Cl)cc1 32779725 FNBZTRNNHRTZSI-GOSISDBHSA-N 373.884 3.978 0 40 FHAB CC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)NCCC1=CCCCC1 32908137 PTIMNEUZRSBHJG-UHFFFAOYSA-N 373.522 3.964 0 40 FHAB COCCNc1ncccc1-c1noc([C@@H]2CCCN2C2CCCCC2)n1 35424867 BJQWQDNJKIIVPE-KRWDZBQOSA-N 371.485 3.660 0 40 FHAB biogenic,in-vitro COc1ccc(C)cc1Nc1nc(C(=O)Nc2nnc(C)s2)cs1 35596810 KFPNFTVOAYADQL-UHFFFAOYSA-N 361.452 3.616 0 40 FHAB CC[C@H](NC(=O)c1cc(-c2ccccc2)nc2ncnn12)c1ccc(C)cc1 36618899 SLXQVOZSFSBXLY-SFHVURJKSA-N 371.444 3.981 0 40 FHAB O=C(NCCCCN1CCO[C@H](c2ccccc2)C1)c1ccc(F)c(F)c1 36700089 DJRRADHIHAFEGT-FQEVSTJZSA-N 374.431 3.548 0 40 FHAB Cc1ccc(CN2CCC(C(=O)NCCOc3ccc(C)cc3)CC2)cc1 39772465 AUIKJEOIXPILMH-UHFFFAOYSA-N 366.505 3.711 0 40 FHAB CC(C)(C)C[C@@H](NC(=O)Nc1ccccc1-n1cnnn1)c1ccccc1 40145951 TTZAKTKLWOIYPL-QGZVFWFLSA-N 364.453 3.961 0 40 FHAB CC(=O)Nc1cc(Cl)ccc1OS(=O)(=O)c1cc(C)c(C)cc1C 41097120 YJTZKNFZVRYGKJ-UHFFFAOYSA-N 367.854 3.991 0 40 FHAB COC(=O)Cc1csc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)n1 42217877 YEODCSLUTDYAEP-HWKANZROSA-N 371.245 3.817 0 40 FHAB O=C(CCOc1ccc(Cl)cc1)NCc1cnn(Cc2ccccc2)c1 46701098 AUICRXJRLNTAKZ-UHFFFAOYSA-N 369.852 3.670 0 40 FHAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(C)c(C)s3)C2)nc1 46818263 IFLQLVGELDWDJL-HNNXBMFYSA-N 357.479 3.559 0 40 FHAB CCC(=O)N1CCCC[C@@H]1C(=O)Nc1nc(C)c(-c2ccccc2)s1 47416878 LEZQZIHPAOICJI-OAHLLOKOSA-N 357.479 3.848 0 40 FHAB Cc1occc1C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1 47907898 RZAYSUDYEGNWEL-UHFFFAOYSA-N 374.393 3.780 0 40 FHAB CCOC(=O)/C=C/c1ccc(NC(=O)N2CCc3sccc3C2)cc1 48066066 GNWCESIIGKUMRV-VMPITWQZSA-N 356.447 3.915 0 40 FHAB Cc1ccc(C(=O)C(=O)N(C)Cc2ccccc2OC(F)(F)F)cc1 58166199 PSZPUTJLAOMXSX-UHFFFAOYSA-N 351.324 3.735 0 40 FHAB O=C(NCCOc1cccc(Cl)c1)[C@@H]1CCCN(Cc2ccccc2)C1 58173178 AORKSWVWUYNTSG-GOSISDBHSA-N 372.896 3.747 0 40 FHAB C[C@H]1C[C@@H](C)CN(CCCCNC(=O)NCCSc2ccccc2)C1 58202201 KJWXXBNOBQNZNW-HDICACEKSA-N 363.571 3.836 0 40 FHAB Cc1nc(/C=C/C(=O)Nc2ccc(CN3CCSCC3)cc2C)cs1 58209665 SPVPQBRNWYEMLC-GQCTYLIASA-N 373.547 3.961 0 40 FHAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCC[C@H]1CC1CCCCC1 58218528 GXRFIZVGEORZKW-KRWDZBQOSA-N 367.493 3.817 0 40 FHAB Cc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 61773720 HDRYCEGAXHBQCO-UHFFFAOYSA-N 370.758 3.922 0 40 FHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@H]1CCN(CC(F)(F)F)C1 71845412 MXUDOAKPRBFVLS-JSGCOSHPSA-N 373.419 3.537 0 40 FHAB CC(=O)Nc1ccc(F)c(NC(=O)N2CC(Cc3ccccc3F)C2)c1 75104749 JXMCOBCZCXJCKZ-UHFFFAOYSA-N 359.376 3.630 0 40 FHAB CCN(CC)[C@H]1CCN(C(=O)Nc2c(SC)cnn2-c2ccccc2)C1 79100939 CQXSNACVCSVBIG-INIZCTEOSA-N 373.526 3.542 0 40 FHAB CC(C)C(=O)c1cc2c(cc1NC(=O)CCc1ccccc1)OCCO2 80340217 KVOXXLZURCNTMU-UHFFFAOYSA-N 353.418 3.868 0 40 FHAB Cc1c(C(=O)N[C@H]2CCCc3occc32)nnn1-c1cccc(Cl)c1 84057925 GFMWSZYMZHXJEF-HNNXBMFYSA-N 356.813 3.630 0 40 FHAB COc1ccc(CNC(=O)c2oc3ccc(OC)cc3c2C)c(OC)c1 84067763 TWGVULWUDMJQKZ-UHFFFAOYSA-N 355.390 3.697 0 40 FHAB Cc1nc2ccccc2n1CCNC(=O)[C@H]1C[C@H]1c1ccccc1Cl 89729980 ARQZRRSIRYMEQU-HOTGVXAUSA-N 353.853 3.918 0 40 FHAB C[C@@H](C[C@H](O)c1cccs1)NC(=O)c1ccccc1Br 89895107 TYLVWIHSHJITFR-GWCFXTLKSA-N 354.269 3.753 0 40 FHAB CCC(=O)N1N=C(c2cc(OC)c(OC)c(OC)c2)C[C@@H]1c1cccs1 95946362 ZWBCGJAZXXOSIL-CQSZACIVSA-N 374.462 3.862 0 40 FHAB S=C(NCc1ccccc1)NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1 100423239 PNNGJEOPMYKQOY-NHCUHLMSSA-N 365.546 3.846 0 40 FHAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1nc2cc(Cl)ccc2n1C 106528141 ZRZKWKVYJSKZPY-PVUWLOKVSA-N 361.873 3.533 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)c(C)c1 219537739 ALLJNGJABFGSPB-MRXNPFEDSA-N 365.433 3.779 0 40 FHAB Cc1cc(C(=O)Nc2ccccc2C(C)C)ccc1N(C)S(C)(=O)=O 222474999 RMKKNPLCTZTJAR-UHFFFAOYSA-N 360.479 3.767 0 40 FHAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccncc1 222831600 ZKNFDICEGBGXHB-OAHLLOKOSA-N 373.884 3.569 0 40 FHAB CC(C)CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 222837378 NCNPSHFFKOKLKJ-HNNXBMFYSA-N 352.906 3.875 0 40 FHAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCOc3ccccc3)cc2)C1 224332778 LSRFHJRKSXRTDX-GOSISDBHSA-N 352.478 3.727 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1 224633879 HHZDUBZUNHPSCL-GOSISDBHSA-N 352.478 3.563 0 40 FHAB COc1ccc(Cl)cc1C(=O)NCCc1cnc(-c2ccccc2)nc1 225592284 CJGGQCKXJBULFL-UHFFFAOYSA-N 367.836 3.778 0 40 FHAB CC1CCN(c2cc(Cl)nc(NC(=S)NC3CCCC3)n2)CC1 226007213 PFMBGSXTDJFJEU-UHFFFAOYSA-N 353.923 3.595 0 40 FHAB COc1ccc(Br)cc1C(=O)Nc1cccc([C@@H](C)O)c1 226274414 UOIUDLLVKTWWNY-SNVBAGLBSA-N 350.212 3.763 0 40 FHAB Cc1[nH]nc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1C 328637247 ASNSEXOJSSATMV-UHFFFAOYSA-N 372.472 3.554 0 40 FHAB COCCCN1C(=O)S/C(=C/c2ccc(N3CCCCCC3)o2)C1=O 409249627 UXIRGVZMPIPFGT-FYWRMAATSA-N 364.467 3.733 0 40 FHAB O=C(NCC1CCc2ccccc2CC1)c1ccc(C(F)(F)F)c(O)n1 529609672 KXPURBPCELXUCD-UHFFFAOYSA-N 364.367 3.731 0 40 FHAB CC[C@@H](C)n1ncc(C(=O)NCc2ccc3cnn(C)c3c2)c1C1CC1 585085277 CABWJIDKBUKNBB-CYBMUJFWSA-N 351.454 3.548 0 40 FHAB c1ccc2c(CN3CCC(c4nccnc4-c4ncc[nH]4)CC3)c[nH]c2c1 585182379 AXWDRFZUFNKOIR-UHFFFAOYSA-N 358.449 3.728 0 40 FHAB CN(CCc1ccccn1)[C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O 585290344 VCBMMSCLFVRMSD-XUVXKRRUSA-N 360.885 3.570 0 40 FHAB Cc1nc(/C=C/C(=O)N2C[C@H]3C[C@H](OCc4ccccc4)C[C@H]3C2)cs1 585291004 YYGSRNVKSGXIJS-BQIDXYTASA-N 368.502 3.919 0 40 FHAB O=C(NCc1ncc[nH]1)C1(c2cccc(Br)c2)CCCCC1 608132853 CZLFFZKXLMZRHB-UHFFFAOYSA-N 362.271 3.691 0 40 FHAB CCN(c1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3)cc1)C(C)C 623282663 RPHWGQBUTPVIGI-OAHLLOKOSA-N 365.477 3.907 0 40 FHAB O=C(Nc1ccc2c(c1)CCCO2)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F 653962592 OBSHWUBJGGHWFP-ZFWWWQNUSA-N 358.360 3.633 0 40 FHAB O=S(=O)(Cc1ccccc1)Cc1cccc(N[C@@H]2COC3(CCC3)C2)c1 657968424 XZSZCGGVQXBOHK-FQEVSTJZSA-N 371.502 3.925 0 40 FHAB C[C@]12COC[C@@H]1CN(C(=O)N[C@H](Cc1ccccc1)c1ccccc1)C2 663470119 JKWQXTQGCRBZJP-VWPQPMDRSA-N 350.462 3.648 0 40 FHAB O=C(O)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c2ccccc21 669435497 IKMXGADDXBUMJG-RBSFLKMASA-N 357.356 3.673 0 40 FHAB O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCCC[C@H]1c1ncccn1 1153913225 YJTRHNIYEVWTTQ-KRWDZBQOSA-N 367.840 3.888 0 40 FHAB Cn1nc(C(C)(C)C)cc1NC(=O)NCc1noc2c1CC(C)(C)CC2 1197065086 UISMCGJLRCWCAN-UHFFFAOYSA-N 359.474 3.542 0 40 FHAB COc1ccc2cc(C(=O)N3CCN(c4ccccc4)CC3)sc2c1 1521588539 FYADHKTXZDGNNX-UHFFFAOYSA-N 352.459 3.872 0 40 FHAB CN(c1ncc(Cl)cn1)C1CCN(Cc2cc(F)ccc2F)CC1 1849132573 FMXFYPWMAZAGTF-UHFFFAOYSA-N 352.816 3.509 0 40 FHAB COc1ccc(-c2nc(CCNC(=O)c3ccc(F)c(C)n3)cs2)cc1 1888921737 KBBIQDGCKYBMTH-UHFFFAOYSA-N 371.437 3.634 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3O)o2)c1C 850360 CXXSXLHUZFBTHT-UHFFFAOYSA-N 355.419 3.790 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)n2C)cc1 876297 GWXJGJSKPLKGFE-UHFFFAOYSA-N 356.426 3.660 0 40 FHAB O=C(O)[C@H]1CS[C@@H](c2ccccc2Cl)N1C(=O)c1ccccc1F 974394 IHTFQSGSXXUYSH-ZBFHGGJFSA-N 365.813 3.820 0 40 FHAB NC(=O)c1c(NC(=O)/C=C/c2ccc(F)cc2)sc2c1CCCCC2 997957 NDZKSBIVWLRFNW-DHZHZOJOSA-N 358.438 3.907 0 40 FHAB Cc1cc(C(=O)COC(=O)/C=C/c2cccs2)c(C)n1C[C@@H]1CCCO1 2662507 YKJHKQLRBVBYGH-WAVCKPEOSA-N 373.474 3.785 0 40 FHAB COc1cccc(NC(=O)CSc2nccn2-c2cccc(C)c2)c1 2723041 CHTVRHWZKXRHBC-UHFFFAOYSA-N 353.447 3.920 0 40 FHAB CC(C)(C)C(=O)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 3263436 RLEJUBDSAQVJQJ-LBPRGKRZSA-N 365.524 3.893 0 40 FHAB Cc1cc(C)c(C(=O)CSc2nnc(-c3cccnc3)n2C)c(C)c1 3284424 CETCBEGEYRJZHP-UHFFFAOYSA-N 352.463 3.777 0 40 FHAB CCOc1ccc(CC(=O)N2CCN=C2SCc2ccc(F)cc2)cc1 4119969 ATHHFEPOCPJHPM-UHFFFAOYSA-N 372.465 3.899 0 40 FHAB CCOc1ccc(S(=O)(=O)c2cn(CC)c3ccc(C)cc3c2=O)cc1 4193362 HKYXKIAUOHITAE-UHFFFAOYSA-N 371.458 3.561 0 40 FHAB CCCCOC(=O)c1ccccc1C(=O)O[C@@H](C)C(=O)OCCCC 4411266 BONVKIQEIFMNFX-AWEZNQCLSA-N 350.411 3.532 0 40 FHAB Cc1cc2oc(=O)cc(COC(=O)c3n[nH]c4ccccc34)c2cc1Cl 4823392 QPMHOGIANQMPEX-UHFFFAOYSA-N 368.776 3.988 0 40 FHAB CCOC(=O)c1cnc(-n2cc(C)cn2)nc1Nc1cc(C)ccc1C 5032942 ZZDFWTQLCIRFNU-UHFFFAOYSA-N 351.410 3.508 0 40 FHAB COc1cn(-c2ccccc2)nc1C(=O)OCc1nc2ccccc2s1 5149764 KNSGXYNUDGRAIW-UHFFFAOYSA-N 365.414 3.848 0 40 FHAB O=C(C[C@H](C(=O)O)N1CCCCC1)Nc1ccc(Nc2ccccc2)cc1 5258007 TUFJIFHEDUFLRW-LJQANCHMSA-N 367.449 3.698 0 40 FHAB CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cccs2)C1=O 5306713 ULSKDNROISMVGM-LJQANCHMSA-N 374.437 3.707 0 40 FHAB COc1ccc(NC(=O)Cc2ccc(F)cc2)cc1N1CCCCC1=O 5441900 YOWWNUKEFCLVMO-UHFFFAOYSA-N 356.397 3.532 0 40 FHAB O=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1c(F)cccc1F 5464574 CSCRBBLKVAJFBN-GOSISDBHSA-N 359.372 3.875 0 40 FHAB Cc1ccc([C@H](CC(=O)O)NC(=O)c2ccccc2Br)cc1 5601033 TUAGJNHFYGZYTG-HNNXBMFYSA-N 362.223 3.703 0 40 FHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cc(C)ccc2C)c1 5636207 PWGHLTCYJUCMND-UHFFFAOYSA-N 360.479 3.586 0 40 FHAB COCCNC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 6323483 LUCYOHUOZFALBY-UHFFFAOYSA-N 354.450 3.613 0 40 FHAB O=C(NC(=S)Nc1ccc(CN2CCCC2)cc1)c1ccc(F)cc1 6548104 XFUGLZPQYDTOCB-UHFFFAOYSA-N 357.454 3.548 0 40 FHAB Cc1ccc(-n2ncc3c(=O)n(CCc4ccccc4)c(C)nc32)cc1C 6662776 IYVKXWIDAOANCZ-UHFFFAOYSA-N 358.445 3.750 0 40 FHAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)cc1 6946183 YVRDOVSMPALAQD-UHFFFAOYSA-N 356.407 3.626 0 40 FHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc(F)cc1Cl 7123128 UWGVXMZQGUQIRI-NSHDSACASA-N 362.788 3.622 0 40 FHAB CC(C)c1ccc(-c2nnn(CC(=O)N3CCC[C@H]4CCCC[C@H]43)n2)cc1 7414401 GROQTGVEYFOTMF-IEBWSBKVSA-N 367.497 3.645 0 40 FHAB COc1cccc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)c1OC 7417988 QYRGUCTZIKZYHZ-UHFFFAOYSA-N 374.780 3.764 0 40 FHAB COc1ccc2oc(C(=O)N(C)Cc3ccc4c(c3)OCCO4)c(C)c2c1 7645107 SXWVLEPDDIYRTP-UHFFFAOYSA-N 367.401 3.793 0 40 FHAB C[C@H](NCc1ccco1)C(=O)Nc1ccc(OCc2ccccc2)cc1 8345211 NILFEDOGLZEEKG-INIZCTEOSA-N 350.418 3.975 0 40 FHAB CC[C@H](C)NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 10314574 LMWHDCNMBNEFLP-HNNXBMFYSA-N 360.479 3.633 0 40 FHAB Nc1cc2ccccc2nc1C1CCN(C(=O)CCCc2ccncc2)CC1 12087837 NJARLVYUXBQBLT-UHFFFAOYSA-N 374.488 3.941 0 40 FHAB COc1ccccc1C1(NC(=O)Cn2c(C)nc3ccccc32)CCCC1 12115978 MGLCDTZVMOOSJY-UHFFFAOYSA-N 363.461 3.939 0 40 FHAB CCC(=O)N1CCCc2cc(NS(=O)(=O)Cc3ccc(C)cc3)ccc21 12180406 AFYDNCFJCKFEKM-UHFFFAOYSA-N 372.490 3.626 0 40 FHAB Cc1cccc(-c2cc(CC3(C(=O)N4CCCC4)CCOCC3)on2)c1 12365648 YIPWGPVDPSEMST-UHFFFAOYSA-N 354.450 3.612 0 40 FHAB Cc1cc(C)c(NC(=O)CN(C)CCC(=O)Nc2cccc(F)c2)c(C)c1 12792693 ICMGMGCVERRVOY-UHFFFAOYSA-N 371.456 3.650 0 40 FHAB CC(C)N(C(=O)CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1)C(C)C 14174147 NNFKPHBRXVWRTD-JXMROGBWSA-N 362.474 3.852 0 40 FHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)NC12CC3CC(CC(C3)C1)C2 14182521 OTHFEHJVEGQBGX-UHFFFAOYSA-N 369.440 3.893 0 40 FHAB O=C1CC[C@]2(C(=O)N3CCCc4ccccc43)Sc3ccccc3N12 14700677 HVIMQVWMNXXHNA-HXUWFJFHSA-N 350.443 3.595 0 40 FHAB COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2cccc(C)c2C)cc1 15936131 ZAGRELLTLMWCNA-LJQANCHMSA-N 367.449 3.947 0 40 FHAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)NC(=O)Nc1ccccc1 16827631 OPQVMWBXKNALJR-UHFFFAOYSA-N 360.826 3.657 0 40 FHAB C[C@H]1CCCN(Cc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)C1 20107107 YXVUYVIQKGZSLJ-INIZCTEOSA-N 363.461 3.517 0 40 FHAB CC1CCN(Cn2nc(-c3ccncc3)n(Cc3ccco3)c2=S)CC1 21321703 IVNUKFQLVYEYNN-UHFFFAOYSA-N 369.494 3.807 0 40 FHAB CCn1cc(C(=O)NCc2ccccc2OC)c(=O)c2cc(Cl)ccc21 22234952 LFYIKSBZDCFFOZ-UHFFFAOYSA-N 370.836 3.613 0 40 FHAB O=C(Nc1ccccc1SC(F)F)c1ccc(Cn2cncn2)cc1 22980928 OKQFRYFHIUKEGV-UHFFFAOYSA-N 360.389 3.893 0 40 FHAB C=C1c2ccccc2NC(=O)N1C[C@@H](c1cccs1)N1CCN(C)CC1 25065984 PRWANLDIXRYTCP-SFHVURJKSA-N 368.506 3.555 0 40 FHAB Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)Nc1cc(Cl)ccc1O 28237222 JDOFPECCMADFHM-MRVPVSSYSA-N 361.751 3.844 0 40 FHAB C[C@H](c1nc(C(C)(C)C)no1)N1CCN(Cc2ccc(Cl)cc2)CC1 29962233 ZVPVOAYIDHXDEV-CQSZACIVSA-N 362.905 3.899 0 40 FHAB Cc1ccc(C(=O)CCC(=O)NCCCOc2ccccc2F)cc1C 32263439 DRDLRMKEAJMABX-UHFFFAOYSA-N 357.425 3.991 0 40 FHAB O=C1c2cccc3cccc(c23)N1C[C@H](O)COCc1ccccc1F 32765381 NSTAYQZXXLNSKW-INIZCTEOSA-N 351.377 3.517 0 40 FHAB COC(=O)c1cc(CSCCC(=O)Nc2ccccc2F)oc1C 32778702 CGHQHVUGIKCCAS-UHFFFAOYSA-N 351.399 3.776 0 40 FHAB COc1ccc(CNC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1F 32803644 GLPVEFKSCIFZQS-UHFFFAOYSA-N 370.346 3.895 0 40 FHAB O=C1c2ccccc2N[C@H](C2=Cc3ccccc3OC2)N1CC(F)(F)F 32869782 SNZYPOFVVOOANQ-KRWDZBQOSA-N 360.335 3.919 0 40 FHAB COc1ccc(CN(C)C(=O)c2cc3ccccc3cc2O)c(OC)c1 32962368 KGBRTWFVYOITSC-UHFFFAOYSA-N 351.402 3.835 0 40 FHAB Cn1cnnc1-c1cccc(NC(=O)c2csc(Br)c2)c1 33133086 NMUUFZOLDJPGLM-UHFFFAOYSA-N 363.240 3.558 0 40 FHAB CCOc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)O)cc3n2)cc1 34928919 XYFLXQAXLOETNS-UHFFFAOYSA-N 351.284 3.512 0 40 FHAB Cc1ccc2c(c1)cc(C)c1nnc(SCC(=O)Nc3cc(C)on3)n12 35313320 MLLLNHFXKTWBMS-UHFFFAOYSA-N 367.434 3.527 0 40 FHAB Cc1cccc2c(C(=O)N[C@@H](C)CN3CCCC3)cc(-c3ccccn3)nc12 35316655 PVJNWOMEJKYDEU-KRWDZBQOSA-N 374.488 3.819 0 40 FHAB Cc1cccc(-n2nc(-c3cn(C)nc3C)c(C)c2-c2cn(C)nc2C)c1 36611565 KLTLGNQDJHLUAR-UHFFFAOYSA-N 360.465 3.907 0 40 FHAB Cn1nccc1-c1nnc(NC(=O)c2cccc(Oc3ccccc3)c2)o1 38661758 GXHSTQHPAKVNLF-UHFFFAOYSA-N 361.361 3.515 0 40 FHAB Cc1ccc(-n2nc(C)c(C(=O)Nc3ccc(N(C)C)cc3C)n2)c(C)c1 40111678 SMNQKSFTWGXQBX-UHFFFAOYSA-N 363.465 3.819 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)N(C)Cc1ccc(Cl)cc1 43667916 KBPVCRBEFVCIDS-UHFFFAOYSA-N 361.829 3.971 0 40 FHAB Clc1cc2c(c(CN3CCC(CN4CCCC4)CC3)c1)OCOC2 47971121 GUGQALJCSFKAKK-UHFFFAOYSA-N 350.890 3.514 0 40 FHAB CCN(C(=O)CN1CCC[C@H]1Cc1ccc(OC)cc1)c1ccc(F)cc1 48290182 OIBWKIKSAVZINA-FQEVSTJZSA-N 370.468 3.894 0 40 FHAB Cc1cccc(N(C)C(=O)CN2C(=O)COc3cc(C(C)(C)C)ccc32)c1 51316212 PHUXPDCCBQRWAC-UHFFFAOYSA-N 366.461 3.681 0 40 FHAB Cc1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)c(Cl)c1 51319586 XUZKVSBFLQPTBJ-UHFFFAOYSA-N 371.799 3.650 0 40 FHAB CCNc1nnc(SC[C@@H](O)CO[C@@H]2CCCc3ccccc32)s1 54169078 BNXNQBBGROCBEJ-DZGCQCFKSA-N 365.524 3.517 0 40 FHAB Cc1cc(NC(=O)CCNC(=O)C(C)(C)C)ccc1Oc1cccnc1 57309904 POYBRSJKURBGLC-UHFFFAOYSA-N 355.438 3.673 0 40 FHAB COc1ccc(CC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)cc1F 57886536 CDLNYJUKNPNXHE-IBGZPJMESA-N 355.413 3.767 0 40 FHAB C[C@H]1CN(c2ccc(NC(=O)CCC(=O)c3cccs3)cc2)C[C@@H](C)O1 58195121 JEYWIYAAFHMLOA-GASCZTMLSA-N 372.490 3.963 0 40 FHAB Cc1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)c(C(=O)O)c1 58377796 GVUQPYLXGUOKGD-CMDGGOBGSA-N 351.811 3.759 0 40 FHAB CCc1ccc(CC)c(C(=O)CN2C(=O)N[C@@](C)(c3ccsc3)C2=O)c1 60346598 APHSGTXBZIPRJY-FQEVSTJZSA-N 370.474 3.523 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1CC(O)=Nc2c1c(=O)[nH]n2C(C)C 71280704 NMBZSGMNCCXSAK-HNNXBMFYSA-N 365.437 3.683 0 40 FHAB O=C(Nc1sccc1C(=O)NC1CC1)c1cnc(Cl)c(Cl)c1 72040490 MMOOSZHCQQDCKH-UHFFFAOYSA-N 356.234 3.594 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2NC2CCC2)cc1 72213908 UUBLSWKWZKCIJQ-IBGZPJMESA-N 371.506 3.880 0 40 FHAB N[C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 72227958 NEAYWWIENOCPQR-UONOGXRCSA-N 351.631 3.518 0 40 FHAB CCc1cc(=O)n2nc(N[C@@H](Cc3ccccc3)C(C)(C)C)sc2n1 72286532 XBSHWCHGCGXRAC-HNNXBMFYSA-N 356.495 3.783 0 40 FHAB C[C@@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)c1cccs1 72325147 IYBIJZGYSJROQC-JTQLQIEISA-N 353.369 3.935 0 40 FHAB COc1cc(NC(=O)c2cc3cc(F)ccc3n2C)cc(OC)c1OC 72405402 DSOFTQQPXXSMPY-UHFFFAOYSA-N 358.369 3.596 0 40 FHAB O=C(Nc1nc(-c2ccncc2)cs1)C1(c2ccccc2)CCOCC1 72406470 HFWQMMMPWDVJCC-UHFFFAOYSA-N 365.458 3.892 0 40 FHAB C[C@H](COCC(F)(F)F)NC(=O)c1cc(-c2cccc(Cl)c2)no1 84640489 UQOCMQYJQJRPET-SECBINFHSA-N 362.735 3.692 0 40 FHAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(F)c(-c2cccs2)c1 84792429 SCKGNUHULLCHMW-MRXNPFEDSA-N 360.410 3.745 0 40 FHAB C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)OC(=O)c1ccco1 95431873 DLQGNPAHKXYSSF-WMLDXEAASA-N 359.422 3.961 0 40 FHAB Cc1cnn(-c2ccncc2NC(=O)c2csc(Br)c2)c1 95434655 ORENVVYYVWAMMX-UHFFFAOYSA-N 363.240 3.652 0 40 FHAB COc1cccc(-c2noc(CNC(=O)CCSc3ccccc3)n2)c1 95481670 FNEGVYPLGUIOCF-UHFFFAOYSA-N 369.446 3.544 0 40 FHAB CN(C)c1nc2cc(N[C@@H](C(=O)N3CCCC3)c3ccccc3)ccc2o1 95967164 WNDHWLODWQBLKE-LJQANCHMSA-N 364.449 3.669 0 40 FHAB CCN(Cc1ccccc1)C(=O)c1nc2c(s1)CCCN2C(=O)C(C)C 96087994 VQIXOCVFRNFJNQ-UHFFFAOYSA-N 371.506 3.741 0 40 FHAB COCc1nn2c(O)cc(Cc3ccsc3)nc2c1-c1ccccc1 100776126 KYSVCFKSZFZDAW-UHFFFAOYSA-N 351.431 3.901 0 40 FHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(C(=O)N2CCSCC2)c1 107348339 HEQOVSMHSCDIRF-ZOBUZTSGSA-N 358.507 3.640 0 40 FHAB Cc1ccc(-c2noc([C@@H]3CC(=O)N(CCc4ccccc4)C3)n2)cc1F 109505144 UCYGBEYFBFRYMF-QGZVFWFLSA-N 365.408 3.743 0 40 FHAB CN(C=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118924364 HLDTUQUVDSWHQL-CPDXTSBQSA-N 359.510 3.948 0 40 FHAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1nc(-c2ccccc2)no1 219299955 FZOCXSFOXZVOEL-HNNXBMFYSA-N 365.433 3.944 0 40 FHAB COc1ccc([C@@H](C)NS(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1 222849011 MXHRZFLGYUBSQZ-CQSZACIVSA-N 371.458 3.897 0 40 FHAB COc1cc2c(cc1S(=O)(=O)Nc1cccc(C(C)=O)c1)CCCC2 223913687 WDDZXDIFVVVIIZ-UHFFFAOYSA-N 359.447 3.577 0 40 FHAB Cc1ccc(CNC(=S)Nc2cc(C)c(Br)cn2)cc1 223942879 TVMNZNOCZDLQGO-UHFFFAOYSA-N 350.285 3.948 0 40 FHAB C[C@H](CNC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccccc1 224551237 PLWLAAUILPGLOJ-QGZVFWFLSA-N 354.469 3.958 0 40 FHAB CC(C)Sc1nnc(NS(=O)(=O)Cc2ccc(Cl)cc2)s1 225269603 AIIRGJABUGGSTJ-UHFFFAOYSA-N 363.917 3.634 0 40 FHAB COC(=O)c1cc(NC(=O)C(C)(C)Br)ccc1OCC(C)C 225786258 ARXJADHDQJZUSQ-UHFFFAOYSA-N 372.259 3.620 0 40 FHAB CCCCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)ncn3C)cc1 225892476 KFTDMANZBBGSOQ-UHFFFAOYSA-N 351.406 3.783 0 40 FHAB COC[C@@H]1CN(C(C)=O)CC12CCN(Cc1cccc3ccccc13)CC2 247954400 SAHMOHGPUZLZFD-NRFANRHFSA-N 366.505 3.547 0 40 FHAB COC(C)(C)C(=O)N1CCC[C@H](c2ccnc(Nc3ncccc3C)c2)C1 257200991 AFRRRNAKVWKDSC-KRWDZBQOSA-N 368.481 3.660 0 40 FHAB Cc1ncc(-c2nccnc2C[C@H]2CCCN(C(=O)C(C)(C)C)C2)s1 257211341 BYNHBANPKIXRCB-CQSZACIVSA-N 358.511 3.736 0 40 FHAB CC(=O)N1CCC(CCc2ccnc(NC(=O)c3ccc(F)cc3)c2)CC1 257268965 MNZNISQTXCNZJE-UHFFFAOYSA-N 369.440 3.664 0 40 FHAB CC(C)n1nccc1-c1nccnc1C[C@H]1CCCN(C(=O)C(C)(C)C)C1 257302780 SEJROWSEODRIFX-MRXNPFEDSA-N 369.513 3.748 0 40 FHAB C[C@@H](NC(=O)Nc1cc([C@H]2CCCO2)nn1C)c1ccc(F)c(Cl)c1 279029265 PWVGUXGLJSIWHV-MEBBXXQBSA-N 366.824 3.947 0 40 FHAB CCCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 408545741 NRFZEQBXFOQUKE-UHFFFAOYSA-N 374.506 3.943 0 40 FHAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cccc(OC)c3OC)S2)cc1 408782385 GPGYBVZITNUPKL-MJLBXUHQSA-N 370.474 3.866 0 40 FHAB CCCN1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 514289379 JGKFRBIKAUIGPI-JAXLGGSGSA-N 370.468 3.532 0 40 FHAB biogenic,in-vitro CC(C)(C)OC(=O)CCc1nc2ccccc2c(=O)n1Cc1ccccc1 584905912 QSSSYCAYAMSBBK-UHFFFAOYSA-N 364.445 3.719 0 40 FHAB C[C@H]1CN(c2cc(C(=O)N3CCC(C)(C)c4ccccc43)ccn2)CCO1 585084112 RSGZPDMJDDPZLJ-INIZCTEOSA-N 365.477 3.635 0 40 FHAB CC(C)N(Cc1ccccc1)[C@@H]1CC[C@@H](N(C)Cc2ccccc2)[C@H]1O 585261339 SDFRFHHOLJJFRR-DNVJHFABSA-N 352.522 3.921 0 40 FHAB Cc1cc(C)n([C@H](CNC(=O)c2ccc(N(C)C)cc2)c2cccs2)n1 585367023 FAQSSICUCWXFAW-GOSISDBHSA-N 368.506 3.647 0 40 FHAB COc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CCCO[C@H]1c1nccn1C 657337333 RFCRWRMUYIECRH-FFZOFVMBSA-N 355.482 3.564 0 40 FHAB COC[C@H](CC(C)(C)C)NC(=O)c1nc(C(C)C)ncc1Br 1530464342 NMCJNBFBHRZDJG-NSHDSACASA-N 372.307 3.544 0 40 FHAB COCCO[C@@H]1CCN(C(=O)c2cc(C)cs2)[C@H]1Cc1ccccc1 1565555598 KWKQNCPRCHXAIM-ZWKOTPCHSA-N 359.491 3.545 0 40 FHAB Fc1ccc(CN2CCC(Oc3nccc(C(F)(F)F)n3)CC2)cc1F 1888860318 UQMHFFRMUPOVKI-UHFFFAOYSA-N 373.325 3.817 0 40 FHAB CO[C@@]1(COc2ccccc2)CCCN(C(=O)Cc2ccccc2C)C1 2037908855 AOMALSUDUNMZAT-QFIPXVFZSA-N 353.462 3.624 0 40 FHAB C[C@H](NC(=O)c1ccccc1I)c1ccccc1 826226 UYBLEQHMEWZXJQ-NSHDSACASA-N 351.187 3.782 0 40 FHAB CCC(=O)Nc1sc(C(=O)Nc2ccc(C)cc2)c(C)c1C(=O)OC 871446 MPSBEMWAPHYWCV-UHFFFAOYSA-N 360.435 3.752 0 40 FHAB Fc1ccc(-c2nnc3sc([C@H]4COc5ccccc5O4)nn23)cc1 1016540 NHKJEYJACBRRFO-CQSZACIVSA-N 354.366 3.504 0 40 FHAB CNC(=S)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccc(OC)c(OC)c1 1298849 AWAPFLPOPIRUCO-KRWDZBQOSA-N 369.490 3.668 0 40 FHAB CC(C)C[C@H](OC(=O)c1ccc(Cl)nc1)C(=O)NC1CCCCC1 1328749 PXOMFDKIMGUFRW-HNNXBMFYSA-N 352.862 3.755 0 40 FHAB COC(=O)COc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C)oc2c1 1447917 VPNPVDTVLDJLSN-UHFFFAOYSA-N 358.777 3.974 0 40 FHAB biogenic O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(Br)cc2)N1 1510865 FPBHUDMWBLCBLN-HOTGVXAUSA-N 371.234 3.619 0 40 FHAB biogenic CCCSc1nc(NC[C@@H](C)O)c2c3c(sc2n1)COC(C)(C)C3 2388588 IVRWWLCONKGLGQ-SNVBAGLBSA-N 367.540 3.837 0 40 FHAB COc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3nc(N)nc3N2)cc1 2409191 AUSQOHWKPBLYFN-HOTGVXAUSA-N 355.829 3.669 0 40 FHAB Cc1ccc(C)c(N2C(=O)C[C@H](Sc3nc4ccccc4o3)C2=O)c1 3322339 KEDJCVYQRKSTJR-INIZCTEOSA-N 352.415 3.869 0 40 FHAB Cc1cccc(-c2nnc(SCC(=O)N3[C@H](C)CCC[C@H]3C)n2C)c1 3400643 GLDCCAGJMLEKEM-HUUCEWRRSA-N 358.511 3.672 0 40 FHAB O=C(COc1ccc2ccccc2c1)N1CCN(c2ccccc2F)CC1 3559547 DMCJDQURGXWJEB-UHFFFAOYSA-N 364.420 3.707 0 40 FHAB COc1ccc(Cl)cc1C(=O)O[C@H](C)C(=O)NCCC1=CCCCC1 4580938 GYDXHZLUBIPQKU-CYBMUJFWSA-N 365.857 3.901 0 40 FHAB CCCCn1c(NC(C)=O)c(C(=O)OCC)c2nc3ccccc3nc21 4823271 CQKIDGWASQOOOQ-UHFFFAOYSA-N 354.410 3.520 0 40 FHAB COc1cccc(C2=N/C(=C/c3cc4ccccc4n3C(C)=O)C(=O)O2)c1 5000784 FNQDWNQYOARVHZ-LDADJPATSA-N 360.369 3.655 0 40 FHAB CCCNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(C)cc1)N2 5200879 UAOJUPQNGSNELW-ZFWWWQNUSA-N 366.387 3.992 0 40 FHAB COc1ccc([S@@](=O)CC(=O)Nc2ccc(Cl)cc2Cl)cc1 5210842 FMWCNCLITMZFKN-JOCHJYFZSA-N 358.246 3.748 0 40 FHAB COc1cc2c(cc1OC)[C@@H](C)N(C(=S)NCCc1ccccc1)CC2 5353486 ICBGYUVSKVVGNO-OAHLLOKOSA-N 370.518 3.740 0 40 FHAB CC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@@H]1/C=C/c1ccccc1 5613246 WQJXTIXMWMNXCO-DXRVJIQQSA-N 358.397 3.831 0 40 FHAB C[C@@H](Sc1nc(-c2cccs2)n[nH]1)c1nc2ccccc2c(=O)[nH]1 6035554 WBYCJFULBRJXJY-SECBINFHSA-N 355.448 3.623 0 40 FHAB COc1ccc(NC(=O)COC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 6430103 BJXHXWVYOGOYBY-UHFFFAOYSA-N 357.450 3.783 0 40 FHAB CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)Nc1nccs1 6607671 KKTTWPJVMSSTNU-SFHVURJKSA-N 367.474 3.618 0 40 FHAB COCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Cl)cc1 6627078 MYVWYZYUPJZPLK-QGZVFWFLSA-N 369.804 3.638 0 40 FHAB CC1=NN(C(=O)COc2cc(C)cc(C)c2)[C@@](O)(c2ccc(Cl)cc2)C1 6732817 YHQFAAFITULQSL-FQEVSTJZSA-N 372.852 3.789 0 40 FHAB Cc1cccnc1NC(=O)c1ccn(COc2ccc(F)c(Cl)c2)n1 6789894 ADHKBJWLFBWGLT-UHFFFAOYSA-N 360.776 3.668 0 40 FHAB O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccccc1F 6885827 IMIRUOCTVGJXMI-UHFFFAOYSA-N 360.344 3.879 0 40 FHAB CCc1nnc(S/C(=C\c2cc(Cl)cc(Cl)c2O)C(=O)O)[nH]1 7342410 OWDADHKZZPCAPY-WTKPLQERSA-N 360.222 3.597 0 40 FHAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)CS2 7344677 LGZZDASUFZHOJO-WIYYLYMNSA-N 366.486 3.670 0 40 FHAB N=c1sc(SCC(=O)Nc2c(F)cccc2F)nc2ccccc12 7652809 UGNFZKKJBWVKDB-UHFFFAOYSA-N 363.414 3.785 0 40 FHAB CC(=O)c1ccc(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)cc1 7927283 ZIAYRXWCKKYXLQ-SFHVURJKSA-N 372.490 3.570 0 40 FHAB C[C@@H](NC(=O)CCc1nc2ccccc2s1)c1ccc2c(c1)OCCO2 7990419 IDYDNSSGOLTDTF-CYBMUJFWSA-N 368.458 3.878 0 40 FHAB COc1ccccc1NC(=O)CSc1nnc2ccc3ccccc3n12 7997323 QCJPMPLATLRFNJ-UHFFFAOYSA-N 364.430 3.622 0 40 FHAB CC(=O)NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1 9064231 VTIQDXPWWVULCZ-UHFFFAOYSA-N 361.810 3.687 0 40 FHAB Cc1cccnc1NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 9154413 URJOSTFODSFZBE-UHFFFAOYSA-N 359.433 3.774 0 40 FHAB COc1ccc(N2C[C@H](c3nc(-c4ccccc4Cl)no3)CC2=O)cc1 9318343 DLTJYSXIYRQSAE-GFCCVEGCSA-N 369.808 3.919 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c(C)c1 10328089 HQBSHAAQBYFMGD-QGZVFWFLSA-N 374.506 3.713 0 40 FHAB CC(=O)N1Cc2cc(C)ccc2O[C@@]2(CCCN(Cc3ccccc3)C2)C1 12087219 BGNWHPCHPXZNQU-HSZRJFAPSA-N 364.489 3.771 0 40 FHAB C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCc2sccc2C1 12214298 LELBYIVDEXTYJB-AWEZNQCLSA-N 370.518 3.749 0 40 FHAB CCN(CC)C(=O)c1ccc(OCc2ccc3nsnc3c2)c(OC)c1 12411581 ZJHLZLOYJSCIGE-UHFFFAOYSA-N 371.462 3.761 0 40 FHAB biogenic,in-vitro C[C@H]1CCCN(Cc2csc(NC(=O)c3n[nH]c4ccccc34)n2)C1 12532131 URMKXIOLXHBFRZ-LBPRGKRZSA-N 355.467 3.504 0 40 FHAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nnc(Nc3ccccc3)s2)C1 12537637 ATDQTWOIFPBXBU-BETUJISGSA-N 362.524 3.878 0 40 FHAB Cc1nc(COc2ccc(/C=C/C(=O)NCc3ccccn3)cc2)cs1 12545680 KCHVYRSQHCJDPZ-JXMROGBWSA-N 365.458 3.755 0 40 FHAB O=C(NCCc1cccc2cccnc12)[C@@H]1COc2ccc(Cl)cc2C1 12798063 CMGFYGSOKBQCOQ-KRWDZBQOSA-N 366.848 3.798 0 40 FHAB O=C(NC[C@H]1CCCO1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 12851276 IHZVDAMODBGEBL-OAHLLOKOSA-N 371.824 3.695 0 40 FHAB O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1 13340850 ACWDIVWLEZGVRM-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB COc1cc(C(=O)O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 13419488 BFGBKLNJRGRCPQ-UHFFFAOYSA-N 370.188 3.718 0 40 FHAB Cc1cccc(CCCNS(=O)(=O)c2ccc(Br)cc2)c1 13674561 XXWGVAYTKXCMRJ-UHFFFAOYSA-N 368.296 3.669 0 40 FHAB C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCC(C(=O)c2ccccc2)CC1 14809247 HIFCMKMVXAYMQX-AWEZNQCLSA-N 372.415 3.887 0 40 FHAB CC[C@H](C(=O)Nc1ccccc1F)n1nnc(-c2ccc(Cl)cc2)n1 15190673 PIDXNBQGGZBTIX-OAHLLOKOSA-N 359.792 3.722 0 40 FHAB C[C@@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 15197321 JSJMMKKXUPCDIX-CNELAYHGSA-N 363.866 3.634 0 40 FHAB COc1cc(C(=O)Oc2ccc(F)cc2)cc(OC)c1Br 15578285 BQUZQSCNFZDDHD-UHFFFAOYSA-N 355.159 3.825 0 40 FHAB Cc1ccc(N2C(=O)C[C@H](N3CCC(c4ccc(F)cc4)CC3)C2=O)cc1 18220168 STKJTSORPRNGOZ-FQEVSTJZSA-N 366.436 3.646 0 40 FHAB C[C@@H](C(=O)N1CCC[C@@H](COc2ccccc2F)C1)n1cc(Cl)cn1 19078247 MPWVCQUTRREFPD-UONOGXRCSA-N 365.836 3.554 0 40 FHAB CCCn1nc(C)c(C(=O)N2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c1C 19525833 RMRZSYKKIXTJLB-QGZVFWFLSA-N 365.481 3.806 0 40 FHAB Cc1cc(N)n(-c2ccc(C(=O)NCC(C)(C)c3cccc(F)c3)cc2)n1 19717858 RIVDYZBCVHCOHV-UHFFFAOYSA-N 366.440 3.610 0 40 FHAB CN1CCN(c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)CC1 20096551 UZDPZGNHXHYMRI-UHFFFAOYSA-N 363.505 3.889 0 40 FHAB COc1ccc(C(=O)OCc2c(C)nn(-c3ccccc3)c2Cl)cn1 21735003 MLQFIMIVGXMCEE-UHFFFAOYSA-N 357.797 3.595 0 40 FHAB COC(=O)c1ccc(NC(=O)c2sc(-c3cccnc3)nc2C)cc1 22237528 GBFUXVLEPAHOML-UHFFFAOYSA-N 353.403 3.552 0 40 FHAB O=C(OCc1nnsc1Cl)c1ccc2c(c1)C(=O)c1ccccc1-2 23215688 SWMUBBWEUVRFLA-UHFFFAOYSA-N 356.790 3.760 0 40 FHAB CCOC(=O)c1sc(NC(=O)CSC(=S)N(CC)CC)cc1C 24785145 CXODXUJJXOKPPC-UHFFFAOYSA-N 374.553 3.532 0 40 FHAB O=C(c1ccc(F)cc1)N1CCC[C@H](C(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1 24884596 VGAGGYIAQCJZOR-QRFRQXIXSA-N 372.484 3.859 0 40 FHAB COc1ccc2cc(C(=O)NCCn3c(C)nc4ccccc43)c(C)nc2c1 27136845 MYKXUUPREWACFD-UHFFFAOYSA-N 374.444 3.640 0 40 FHAB CC(C)n1ncc2cc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cnc21 32097964 WJLGOALTIMFSRS-UHFFFAOYSA-N 368.821 3.606 0 40 FHAB O=C(CCc1nc2ccccc2o1)NC1CCN(Cc2ccccc2)CC1 32518755 AUQWNJICESOYLO-UHFFFAOYSA-N 363.461 3.541 0 40 FHAB Cc1cc(=O)c(C(=O)N[C@H](c2ccccc2)C(C)C)nn1-c1ccccc1 32778169 VTZJZVNZEDTXSF-FQEVSTJZSA-N 361.445 3.668 0 40 FHAB CN(Cc1ccccc1C(F)(F)F)C(=O)NCCOc1ccccc1 32794825 UPFPNAZFEAGCHE-UHFFFAOYSA-N 352.356 3.926 0 40 FHAB CCCc1ccc([C@H](NC(=O)C2=NN(C)C(=O)CC2)c2cccs2)cc1 32836959 GTWQNEJOZBJKQL-IBGZPJMESA-N 369.490 3.514 0 40 FHAB O=C(c1ccccc1Nc1cccc(C(F)(F)F)c1)N1CCOCC1 32980175 QXIVYVQYNNYDGR-UHFFFAOYSA-N 350.340 3.921 0 40 FHAB CN(C)Cc1ccccc1CNC(=O)CSCc1ccc(Cl)cc1 39983292 ASTGWWJWSOGDBL-UHFFFAOYSA-N 362.926 3.951 0 40 FHAB CN(C)[C@@H](CNC(=O)CCOc1ccc(Cl)cc1)c1ccsc1 40107423 WZZJNXGIUMWIKF-INIZCTEOSA-N 352.887 3.590 0 40 FHAB O=C(CCCn1c(=O)oc2ccccc21)Nc1cccc(OC(F)F)c1 40121334 QOFURCJJCNACBT-UHFFFAOYSA-N 362.332 3.615 0 40 FHAB Cc1cc(C)n(-c2cccc(NC(=O)[C@H]3CC(=O)Nc4ccccc43)c2)n1 40134062 MYIPOFAWQJYXCZ-SFHVURJKSA-N 360.417 3.554 0 40 FHAB CC1(C)C[C@H](NC(=O)c2ccc(Cn3ccnc3)cc2)c2ccccc2O1 44918635 SMRPVEKORLAKAQ-IBGZPJMESA-N 361.445 3.964 0 40 FHAB CC(C)CN1CCC(NC(=O)N[C@H](C)Cc2cccc(Cl)c2)CC1 45463501 UAUZBUBFXWHMPS-OAHLLOKOSA-N 351.922 3.691 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1-n1cccn1 48365449 HRHDOKNRPIIXEG-UHFFFAOYSA-N 369.852 4.000 0 40 FHAB COc1ccccc1OCCSc1nnc(-c2sc(C)nc2C)o1 48366877 NBGCZKCXQPIOBK-UHFFFAOYSA-N 363.464 3.990 0 40 FHAB O=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 48582274 VVMJIKJNWCERQH-UHFFFAOYSA-N 357.624 3.902 0 40 FHAB O=C(c1cnn(-c2cc(F)ccc2Cl)c1-n1cccc1)N1CCCC1 49548642 UIUXSTFSICGPQD-UHFFFAOYSA-N 358.804 3.692 0 40 FHAB O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCCCCCC2)CC1 49950385 SAJCCOUGLYMLKU-VAWYXSNFSA-N 354.494 3.731 0 40 FHAB Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3ncc(C(C)(C)C)o3)C2)n1 54205121 ANZRQLMNPUJROX-OAHLLOKOSA-N 356.470 3.526 0 40 FHAB CCc1ccc2c(CNc3ccc(CC(=O)N(C)C)cc3)cc(=O)oc2c1 56171473 WYMJIDXJTUGXBA-UHFFFAOYSA-N 364.445 3.598 0 40 FHAB Cc1nc2ccccc2nc1COC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 58147309 XMLIOVQAVYTYIL-UHFFFAOYSA-N 362.364 3.824 0 40 FHAB CN(Cc1cccc(Cl)c1Cl)Cn1nc(-c2cccs2)oc1=O 58160053 GTRRWNJCUSGXEV-UHFFFAOYSA-N 370.261 3.961 0 40 FHAB O=C(CCCSc1nnc(Cc2ccccc2)o1)Nc1ccccc1O 58341763 OYOLIQHOOKPDBX-UHFFFAOYSA-N 369.446 3.877 0 40 FHAB COc1ccc(C(=O)N(C)C)cc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 58366231 ZEXSPHAWXHOEDN-HUUCEWRRSA-N 372.852 3.793 0 40 FHAB Cc1cc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)sc1C(=O)O 58418926 OPGKWYKBWLYTDQ-UHFFFAOYSA-N 373.455 3.807 0 40 FHAB Cc1nn(C)c2c1[C@H](c1c(Cl)nc3sccn13)SCC(O)=N2 61718867 MPXBTPDTXXSLBC-SNVBAGLBSA-N 353.860 3.515 0 40 FHAB O=C(COC(=O)c1nccc2ccccc12)Nc1ccc(F)cc1Cl 64875245 AZFQCBSXDMINDT-UHFFFAOYSA-N 358.756 3.823 0 40 FHAB O=S(=O)(Oc1ccccc1)C1=Cc2ccc(OC(F)F)cc2CC1 65263577 PTGTXBINHQDLKB-UHFFFAOYSA-N 352.358 3.984 0 40 FHAB C[C@@H](Oc1ccc(C(=O)N=c2[nH]c3ccccc3[nH]2)cn1)c1ccccc1 65488316 HUIJCTKNOXRRPH-CQSZACIVSA-N 358.401 3.772 0 40 FHAB O=C(NCC1CCN(Cc2ccccc2)CC1)c1ccc(-n2cccn2)cc1 67837586 XTZBXXZAEACPIW-UHFFFAOYSA-N 374.488 3.514 0 40 FHAB COc1ccc([C@H](C)NC(=O)c2cn[nH]c2-c2ccc(C)cc2)cc1OC 72328947 SFSURDAYFNUGIO-AWEZNQCLSA-N 365.433 3.893 0 40 FHAB O=C(NCCSc1ccc(Cl)cc1)c1c[nH]c(=O)c2ccccc12 72401098 GYFFEGYYYCFPTG-UHFFFAOYSA-N 358.850 3.704 0 40 FHAB O=C(NCC1CCOCC1)c1sc(-n2cccc2)nc1-c1ccccc1 72402339 IQXISTAGSHGEES-UHFFFAOYSA-N 367.474 3.757 0 40 FHAB Cc1cc(NC(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)no1 73027974 ORODSXLFPFKNOE-UHFFFAOYSA-N 351.288 3.832 0 40 FHAB CCSc1ccc(Cl)cc1NC(=O)NCCCc1n[nH]c(C)n1 75104815 ZSGLTYVFJYCRIU-UHFFFAOYSA-N 353.879 3.633 0 40 FHAB CCC[C@@](C)(O)CNC(=O)/C=C/c1cccc(OCc2ccccc2)c1 76089231 XCELIJGDMRPKOE-CHHLAKQQSA-N 353.462 3.946 0 40 FHAB Cc1cc(CN2CC[C@@H](N3CCCC3)C2)cc(C)c1OCc1ccccn1 92756357 VFZQFXNRUKJOFO-JOCHJYFZSA-N 365.521 3.948 0 40 FHAB CC1=CC(C)(C)N2C(=O)[C@@]3(NC(=O)c4ccccc4N3)c3cc(C)cc1c32 95115711 PYIOMCXFTFMHNA-QFIPXVFZSA-N 359.429 3.545 0 40 FHAB Cc1ccc(CN2CCC3(CC2)CO[C@@H](COCc2cccnc2)C3)o1 96106140 XFHDZJKWSPKFTE-HXUWFJFHSA-N 356.466 3.571 0 40 FHAB CCN1C(=O)CCC[C@]12CCCN(C(=O)c1cccc(C(F)(F)F)c1)C2 96229817 IQYFXWKXNWGMOZ-GOSISDBHSA-N 368.399 3.713 0 40 FHAB Cc1ccc(C(=O)N2CCN(c3cc(-c4cccs4)n[nH]3)CC2)c(C)c1 98211853 HSUDZPZJPBAXCO-UHFFFAOYSA-N 366.490 3.717 0 40 FHAB COc1ccc(/N=c2/oc3ccc(Br)cc3cc2C(N)=O)cc1 100346886 IZIPEGZJVXLNJW-LVZFUZTISA-N 373.206 3.535 0 40 FHAB Brc1ccccc1CN1CCN(C[C@H]2C[C@H]3C=C[C@H]2C3)CC1 101110957 FPFAVNASDIGYQB-XYJFISCASA-N 361.327 3.779 0 40 FHAB Cc1ccccc1CSCCNC(=O)CCc1ccc2c(c1)OCCO2 222639255 PZLFKUAJNNQZPU-UHFFFAOYSA-N 371.502 3.748 0 40 FHAB Cc1ccc(C)c(OCCNS(=O)(=O)c2ccc3ccccc3c2)c1 224003747 IRWYKWQMTCQHKL-UHFFFAOYSA-N 355.459 3.814 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(F)cc1 224775605 VKQZWYNEKOPQTF-KRWDZBQOSA-N 370.468 3.620 0 40 FHAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 225057349 UWPWNEXONUUZDM-LSDHHAIUSA-N 357.450 3.911 0 40 FHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 225210059 RFTVJUAEMTVENK-IRXDYDNUSA-N 370.468 3.700 0 40 FHAB CCOc1cc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)ncn1 225532295 BFKSDNHMIAOGNB-UHFFFAOYSA-N 365.418 3.504 0 40 FHAB Cc1ccc(-c2ccc(C(=O)O)o2)cc1NC(=S)NC(=O)C(C)(C)C 226351006 LSVHDVVVYQVANX-UHFFFAOYSA-N 360.435 3.812 0 40 FHAB O=C1C[C@]2(CC[C@@H]3[C@H](C(=O)NCc4cccc(F)c4)[C@H]32)Oc2ccccc21 247787996 ALNBJXJLAPYGHK-SYNNKVJXSA-N 365.404 3.502 0 40 FHAB O=C(NC[C@](O)(c1ccoc1)c1cccs1)c1nc2ccccc2s1 253472885 QIAAXFWZNYYQSD-SFHVURJKSA-N 370.455 3.617 0 40 FHAB O=C(O)c1nn(-c2cccc(Cl)c2)nc1N1CC[C@H](c2ccccc2)C1 256047779 ORDUKVUXALREMG-AWEZNQCLSA-N 368.824 3.613 0 40 FHAB Cc1ccc(Nc2nc([C@H]3CCCN(Cc4c[nH]cn4)C3)cs2)nc1 257297099 RFVPHXUZLHARCJ-AWEZNQCLSA-N 354.483 3.693 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@@H]1CSCN1C(=O)OCc1ccccc1 408736579 CYINMKGJOKBLEI-KRWDZBQOSA-N 370.474 3.954 0 40 FHAB Cc1cc2c(cc1-c1ccnc(N3CCOCC3)n1)NC(C)(C)C[C@H]2C 575473057 AYLVTTSGSIRZAG-OAHLLOKOSA-N 352.482 3.986 0 40 FHAB C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1ncc[nH]1 585113654 FRTXRDSUMAWKPV-MRXNPFEDSA-N 353.344 3.546 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(C)(C)C)cc2C(=O)O)s1 585123838 DPADABUHQXZTPA-UHFFFAOYSA-N 353.465 3.853 0 40 FHAB CCN(Cc1ccccc1NC(=O)N1CCCC(F)(F)CC1)C(C)=O 626271800 CQXMTRZQHBLEGU-UHFFFAOYSA-N 353.413 3.708 0 40 FHAB Oc1cccc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1Cl 645156677 YSVIBCGQCAWFDS-XJKSGUPXSA-N 359.775 3.670 0 40 FHAB O=C(Nc1cccc(NC(=O)c2ccc(F)cc2)n1)c1ccc(F)cc1 1006341 KBTIBVAUZNSDBA-UHFFFAOYSA-N 353.328 3.864 0 40 FHAB O=C1O[C@@H](c2ccc3c(c2)OCO3)N(C(=O)c2ccccc2)c2ccccc21 1064088 XPADRUGBPMZDFM-NRFANRHFSA-N 373.364 3.931 0 40 FHAB COc1cccc(NC(=O)NC(=O)c2c(C)cc(Cl)nc2Cl)c1 1078029 LORZNZKBPNDVNS-UHFFFAOYSA-N 354.193 3.667 0 40 FHAB O=S(=O)(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccccc1 1408526 MWSMRANBRIJIEB-UHFFFAOYSA-N 351.387 3.691 0 40 FHAB COc1ccccc1-c1nnc(SCc2c(F)cccc2Cl)n1N 2388394 LPINHYZSDSNPRD-UHFFFAOYSA-N 364.833 3.752 0 40 FHAB O=C(CNCCc1ccc(F)cc1)Nc1ccc(N2CCCCC2)cc1 2645159 OLIXUOQRBQPNTK-UHFFFAOYSA-N 355.457 3.587 0 40 FHAB Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)NC1CCCC1 2779282 QIEPNOASWBOXJE-QMMMGPOBSA-N 368.197 3.593 0 40 FHAB COc1ccc(C)cc1NC(=O)c1ccc(I)cc1 3058121 FJZODIYEGOMHJH-UHFFFAOYSA-N 367.186 3.861 0 40 FHAB O=C(CCN1c2ccccc2Sc2ccccc21)NC1=NCCS1 3310001 LCPPCUUTHPAOLY-UHFFFAOYSA-N 355.488 3.898 0 40 FHAB Cc1cnc(C(=O)OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cn1 3319253 PWQNEPLYAICFCZ-UHFFFAOYSA-N 355.438 3.827 0 40 FHAB Cc1sc2ncnc(SCN3C(=O)c4ccccc4C3=O)c2c1C 3352640 MXFXKOGAEVVPII-UHFFFAOYSA-N 355.444 3.654 0 40 FHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)ccc2C)c1 3478962 IVKRQZZTZKLHBT-UHFFFAOYSA-N 360.479 3.586 0 40 FHAB COc1ccc(NC(=O)c2cc(-c3ccccc3OC)on2)cc1OC 3908067 XHBIXZDNPAOEGZ-UHFFFAOYSA-N 354.362 3.620 0 40 FHAB Cc1coc2cc3oc(=O)c(CC(=O)NCc4ccco4)c(C)c3cc12 4084979 LOKNRVTXZAIUDI-UHFFFAOYSA-N 351.358 3.608 0 40 FHAB biogenic C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1csc(-c3ccccc3)n1)C2=O 4308747 XMHGNKNXBLTVSA-BFUOFWGJSA-N 355.463 3.811 0 40 FHAB CCCCC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 4419085 FBRVRPDMRPZMIB-UHFFFAOYSA-N 365.477 3.778 0 40 FHAB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(CC)cc2)CC1=O 5016978 VNLLZUDOGWJDEZ-MRXNPFEDSA-N 352.434 3.639 0 40 FHAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2cccc3ccccc23)c1C 5133624 IDCTZNGEAFHFFX-UHFFFAOYSA-N 355.415 3.956 0 40 FHAB COC(=O)CSc1nnc(-c2ccc(OC)cc2)n1C1CCCCC1 6140739 HFBPLYDYIZYCSF-UHFFFAOYSA-N 361.467 3.724 0 40 FHAB Cc1cccc(C)c1NC(=O)CSc1nnc2[nH]c3ccccc3n12 6507749 YCQFCBFUYLITJK-UHFFFAOYSA-N 351.435 3.558 0 40 FHAB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S 6635800 FTDMUKWPMLQPIA-LFGHMXSPSA-N 365.476 3.540 0 40 FHAB Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1ccc2c(c1)OCCCO2 6647270 ZFCGNUIWDQEDJG-UHFFFAOYSA-N 363.845 3.915 0 40 FHAB O=C(Cc1ccccc1)NC(=S)Nc1ccc(Cc2ccncc2)cc1 6816174 WTOUHHPDWARACU-UHFFFAOYSA-N 361.470 3.728 0 40 FHAB CN(C)C(=O)[C@H](OC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 6847710 SXIIPOICNWVOQV-OAHLLOKOSA-N 352.217 3.980 0 40 FHAB Cc1ccc2nc(SCC(=O)N[C@@H](C)c3ccc4c(c3)OCO4)[nH]c2c1 6908878 VBZVTIIJFBNNKH-LBPRGKRZSA-N 369.446 3.570 0 40 FHAB CCC[C@H](C(=O)NC[C@@H](c1ccc(OC)cc1)N(C)C)c1ccccc1 6934673 BNSDOIQSEDKUGI-SFTDATJTSA-N 354.494 3.998 0 40 FHAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)N(C)Cc2ccccc2)n1C 7236502 VRJWWGRMYDEVQY-AWEZNQCLSA-N 370.478 3.523 0 40 FHAB CCN(CC)Cc1ccc(CNC(=O)/C=C/c2ccc(OC)cc2)cc1 7828374 WSOXBBGAUKTGMX-NTCAYCPXSA-N 352.478 3.867 0 40 FHAB O=C(Nc1cccc(Br)c1)c1cccc(N2CCCC2=O)c1 7914327 MJRCOSVLOWNVGF-UHFFFAOYSA-N 359.223 3.828 0 40 FHAB COc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2N)cc1 8275032 MYOLQRMWDAGGTB-UHFFFAOYSA-N 360.870 3.537 0 40 FHAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(-c2ccc(F)cc2)o1 8345602 RGOLJRQDMUPIDH-INIZCTEOSA-N 367.376 3.998 0 40 FHAB Brc1ccccc1-c1n[nH]c(SC[C@H]2CCCCO2)n1 8394544 PVQUGKJXGISIJZ-SNVBAGLBSA-N 354.273 3.895 0 40 FHAB Cc1c(C(=O)OCC(=O)c2ccc3c(c2)OCO3)oc2ccc(F)cc12 8544043 NWXWTKOAFIMBOU-UHFFFAOYSA-N 356.305 3.649 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2nc3ccccc3s2)c1C 8707543 PKHUJNMLTWBPHV-UHFFFAOYSA-N 371.462 3.690 0 40 FHAB Cc1ccc(OCc2nc(C)c(C(=O)NCc3ccncc3)s2)cc1 8747532 AHEZVOKSCYZLTL-UHFFFAOYSA-N 353.447 3.664 0 40 FHAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cccs2)cc1Cl 9154363 NWSUWEMBCOINTN-CYBMUJFWSA-N 364.854 3.653 0 40 FHAB CCOC(=O)N1CCC(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 9762647 VXYWJDGTIZGTJK-QGZVFWFLSA-N 366.889 3.817 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)CSc2ncnc3sccc23)c1 10214164 NZKWRFGHKJONJL-UHFFFAOYSA-N 373.459 3.517 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(CN3CCCC3)cc2)c1 10324638 JULIRMXSYHIRDC-UHFFFAOYSA-N 372.852 3.975 0 40 FHAB COc1cc(C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)cc(OC)c1OC 11234022 XVUYVPOGPKFJME-IBGZPJMESA-N 355.434 3.902 0 40 FHAB COCc1ccc(C(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)cc1 11549066 XNCRDDFBCSNRAD-IBGZPJMESA-N 355.434 3.828 0 40 FHAB CCOc1cccc(C(=O)Nc2nc(-c3ccc(OC)cc3)ns2)c1 12062948 HDDFPMVJZNKRMN-UHFFFAOYSA-N 355.419 3.865 0 40 FHAB Cc1cccc2c(=O)[nH]c(CSc3ccc(C(F)(F)F)cn3)nc12 12533271 YZXBRLILOMQUER-UHFFFAOYSA-N 351.353 3.938 0 40 FHAB CSc1ccc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)cc1 12667490 DSWBONLFJHBUBU-INIZCTEOSA-N 367.522 3.721 0 40 FHAB COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ncc(C)s2)cc1 12763413 ROWHHEGQTHGEFM-UHFFFAOYSA-N 367.430 3.965 0 40 FHAB O=C(CN1CCC(c2nc3ccccc3o2)CC1)Nc1ccc(Cl)cn1 12893305 QLHDCXLUPXIPBC-UHFFFAOYSA-N 370.840 3.694 0 40 FHAB O=C(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1c[nH]c2ccccc12 12941713 GLXSFZOVNOMECW-UHFFFAOYSA-N 363.442 3.770 0 40 FHAB COc1ccc(Cl)cc1C(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 13011960 VRSDJPGHLNEETQ-ZDUSSCGKSA-N 370.840 3.763 0 40 FHAB CC[C@@H](C(=O)Nc1cccc(C)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716085 IOXKUYGVNLLFCE-IBGZPJMESA-N 374.506 3.795 0 40 FHAB Cc1ccccc1OCC(=O)Nc1ccccc1C(=O)NCc1ccccc1 13991543 UNJCOAWLDGQHAP-UHFFFAOYSA-N 374.440 3.943 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 14232580 CNXOZNNWBBJRPF-UHFFFAOYSA-N 365.389 3.756 0 40 FHAB COc1ccc(OC)c(C(=O)N2CCC[C@@H](c3cc4ncccc4[nH]3)C2)c1 19551040 FDWNISZABZNCEQ-CQSZACIVSA-N 365.433 3.600 0 40 FHAB Cc1nn(C[C@@H](C)C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)c(C)c1C 19576834 CZQSOEZSZBWBAS-GFCCVEGCSA-N 352.482 3.859 0 40 FHAB Cc1ccc2c(c1)cc(C(=O)Nc1nc(-c3cnn(C)c3)cs1)n2C 19661214 CUZLQBCZNMUXMX-UHFFFAOYSA-N 351.435 3.596 0 40 FHAB CN(C)[C@H](CNC(=O)c1c[nH]nc1-c1ccccc1)c1cccc(Cl)c1 19663389 GJYXTDRLPDTDKE-GOSISDBHSA-N 368.868 3.763 0 40 FHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCc1ccc(OC)c(OC)c1 20495289 OXDUPBYXWWIXGJ-GOSISDBHSA-N 371.477 3.837 0 40 FHAB CCOc1ccccc1C(=O)NCc1ccc(OCC(F)(F)F)cc1 22418026 ZYSVPKWUOULZTL-UHFFFAOYSA-N 353.340 3.956 0 40 FHAB O=C1c2ccccc2N[C@@H](c2ccc(O)c(Br)c2)N1C1CC1 24034714 CDFOGOCODPCASM-MRXNPFEDSA-N 359.223 3.884 0 40 FHAB CN(Cc1cccc(Cl)c1)C(=O)NCc1ccc(Cn2cccn2)cc1 26394210 OVCUTTNSJGLIDC-UHFFFAOYSA-N 368.868 3.926 0 40 FHAB Cc1cccc(OCCNC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)c1 27378282 WPRNOTHEGMAYBO-UHFFFAOYSA-N 354.450 3.595 0 40 FHAB CCc1ccc2oc(C(=O)Nc3ccnn3Cc3ccccc3)cc(=O)c2c1 28402750 FPMRLDHJPMRYQR-UHFFFAOYSA-N 373.412 3.853 0 40 FHAB O=C(O)CCn1c(/C=C/c2cccc(Cl)c2)nc2ccccc2c1=O 29736981 XEFMXUQJJLEPED-CMDGGOBGSA-N 354.793 3.695 0 40 FHAB O=C(NCc1cn2ccccc2n1)c1cc(-c2cccc(Cl)c2)on1 30035059 AWYZYKWXYKWKOW-UHFFFAOYSA-N 352.781 3.573 0 40 FHAB COc1ccc(/C=C/C(=O)NCc2cccc(CN3CCCC3)c2)cc1 32461954 LJKIZMIQLHOEHK-FMIVXFBMSA-N 350.462 3.621 0 40 FHAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)CCn1c(=O)oc2ccccc21 32753940 QACXWVZJMQXUTE-CQSZACIVSA-N 364.401 3.950 0 40 FHAB Cc1ccc(CNC(=O)COC(=O)C(c2ccccc2)c2ccccc2)cc1 32797463 HZTSOWLBKXEGHA-UHFFFAOYSA-N 373.452 3.987 0 40 FHAB C[C@@H](C(=O)Nc1ccccc1F)[S@](=O)CCOc1ccccc1Cl 32801061 DTNCDFQJUZBLKP-MCFWBGNESA-N 369.845 3.634 0 40 FHAB O=C(Nc1ccc(NC(=O)c2cccc3nccnc23)cc1)c1ccccn1 35311257 QAKOBHRZROPLKD-UHFFFAOYSA-N 369.384 3.529 0 40 FHAB C[C@H](NC(=O)COc1ccc(F)cc1Br)c1cccs1 36710118 LBNWDZSUNCOCIE-VIFPVBQESA-N 358.232 3.906 0 40 FHAB CC(C)c1ccc(CS(=O)(=O)[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 40105996 ZYEQUZCPLLGRNJ-BRWVUGGUSA-N 365.539 3.618 0 40 FHAB COc1ccc(Cl)cc1CS(=O)(=O)c1nc2ccccc2s1 40152187 VKTJWTFIJNDDLL-UHFFFAOYSA-N 353.852 3.932 0 40 FHAB Cc1ccc(C(=O)Nc2ccnn2Cc2cccc(Br)c2)cn1 44532796 ZSEPQWJEECYHKY-UHFFFAOYSA-N 371.238 3.650 0 40 FHAB Cc1ccc(OCCC(=O)NCc2ccc(Cn3ccnc3)cc2)cc1C 45056059 IVBRSXJZLZKTGU-UHFFFAOYSA-N 363.461 3.634 0 40 FHAB CC(=O)Nc1cccc(-n2nnnc2SCc2ccccc2Cl)c1 46580300 VNCUFCSFKLSPBY-UHFFFAOYSA-N 359.842 3.566 0 40 FHAB O=C(Nc1ccc(-n2cccn2)c(F)c1)c1csc(-c2ccco2)n1 47692430 PERRTMGXQZGDBD-UHFFFAOYSA-N 354.366 3.980 0 40 FHAB CC(C)(C)C(=O)N1CCC(C(=O)N2CCCCC[C@H]2c2ccncc2)CC1 49764519 UTPYVTKBZLTRLT-IBGZPJMESA-N 371.525 3.810 0 40 FHAB O=C(c1ccc(-c2ccccc2F)s1)N1CCCC[C@H]1C1OCCO1 69283329 YDAHCMDJIMPKQM-HNNXBMFYSA-N 361.438 3.922 0 40 FHAB Cc1ccc(C)c(N2CCN(C(=O)c3cn[nH]c3-c3cccs3)CC2)c1 72328767 OXZYGCVLCDSKHX-UHFFFAOYSA-N 366.490 3.717 0 40 FHAB COc1cc(Cl)ccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 72331362 YFAQUDUYSOAAGX-UHFFFAOYSA-N 365.260 3.964 0 40 FHAB O=C(NCCn1ccc2ccc(F)cc21)C1(c2ccccc2)CCOCC1 72401656 GHJLVKOUVXSPGZ-UHFFFAOYSA-N 366.436 3.645 0 40 FHAB COC(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1ccc(F)c(Cl)c1 75165727 UEJKCAHWKUJGIE-INIZCTEOSA-N 362.788 3.783 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)NCC[C@@H](O)c2cccc3ccccc23)c1 77117699 NMASREPUUZRCQT-HXUWFJFHSA-N 369.486 3.859 0 40 FHAB C[C@@H](Oc1cccc(C(=O)/C=C/C=C/c2ccccc2[N+](=O)[O-])c1)C(=O)O 78726006 QEXROEISVNNBLT-ITSDNZTRSA-N 367.357 3.899 0 40 FHAB O=C(CCc1ncc(-c2ccccc2)o1)N1CC(c2nc3ccccc3[nH]2)C1 79095257 QQRONWGISXJLSR-UHFFFAOYSA-N 372.428 3.777 0 40 FHAB CN(C)c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1F 83854322 VAESNNOQFSVWNO-OALUTQOASA-N 360.404 3.681 0 40 FHAB COc1cc(NC(=O)N[C@@H]2CCc3ccccc32)ccc1N1CCCC1=O 83923394 SJWLHNLJCPXMMU-QGZVFWFLSA-N 365.433 3.631 0 40 FHAB C[C@H]1CN(C(=O)NCCc2c(F)cccc2F)C[C@@H](c2ccccc2)O1 84714049 XHDOAFRSCMJRFB-LIRRHRJNSA-N 360.404 3.679 0 40 FHAB C[C@H]1CCCC[C@@H]1OCCNCc1c(C(F)(F)F)nn(C)c1Cl 96006932 RDSJKCWLSCPGKM-JQWIXIFHSA-N 353.816 3.777 0 40 FHAB Fc1ccc(CN2CCC(F)(F)[C@]3(CCN(c4cccnc4)C3)C2)cc1 96051134 IAVKNZPIBOESGJ-LJQANCHMSA-N 361.411 3.958 0 40 FHAB Cc1ccc(CN2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)cc1 96111819 BCLOBMWADSXFDG-FPOVZHCZSA-N 362.473 3.774 0 40 FHAB biogenic,in-vitro C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]12 101136516 TZAFNFPJXKADMZ-CRJCFHLZSA-N 371.742 3.582 0 40 FHAB Cc1ccc(N2N=N[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]32)cc1F 101260351 RWZNEVVUQCHAAZ-HOTGVXAUSA-N 372.787 3.594 0 40 FHAB Cc1ccc(N[C@@H]2CC(=O)N(c3ccccc3Br)C2=O)c(C)c1 101276880 BYXGLSAWKZPFCF-OAHLLOKOSA-N 373.250 3.810 0 40 FHAB COc1ccc2sc(N3C(=O)C[C@H](Cc4ccc(C)cc4)C3=O)nc2c1 101398878 RULBGZIBDBAZRY-AWEZNQCLSA-N 366.442 3.736 0 40 FHAB CCn1c(S)nc2cc(C(=O)Nc3ccccc3Cl)ccc2c1=O 102751746 QQOJLSZWPIPOTP-UHFFFAOYSA-N 359.838 3.611 0 40 FHAB CCCOc1ccc(-n2nc3cc(C)c(N)c(Br)c3n2)cc1 216870251 VNEPEUSEUWSIAK-UHFFFAOYSA-N 361.243 3.862 0 40 FHAB CC[C@@H](NC(=O)COc1cc(OC)cc(OC)c1)c1ccc(C)c(C)c1 218898609 VFFMZCVQYCKLKB-HXUWFJFHSA-N 357.450 3.967 0 40 FHAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)o1 223447582 JPKOXXFIVWYLJW-ROUUACIJSA-N 350.447 3.551 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(CC)cc1 223540072 HHDJPOWGSAXOJC-SFHVURJKSA-N 366.505 3.735 0 40 FHAB CCc1ccc(CC)c(CNC(=O)c2cc(OC)c(OC)c(OC)c2)c1 223911404 GCFVCHAZBVNHIO-UHFFFAOYSA-N 357.450 3.767 0 40 FHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 224314958 PNUMMAYDROMQCK-IFXJQAMLSA-N 373.449 3.747 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)C(C)C)cc2C)cc1 225205165 QUJQHAMSVCJIOB-MRXNPFEDSA-N 374.506 3.879 0 40 FHAB CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2OC)cc1Cl 225331368 AASJBEMAKCLIOY-UHFFFAOYSA-N 363.797 3.786 0 40 FHAB CCCOc1ccccc1CCCNS(=O)(=O)c1ccc(F)c(C)c1 225607960 AYMAFVHLAHNLNT-UHFFFAOYSA-N 365.470 3.834 0 40 FHAB COc1cccc(Cc2cnc([C@]3(C)CCCN(C(=O)C4CCC4)C3)o2)c1 257293624 QQKJDNVYVBZJDM-JOCHJYFZSA-N 368.477 3.954 0 40 FHAB Cc1cncc(C(=O)N2CC[C@@]3(CCn4c(-c5cccs5)cnc43)C2)c1 306132580 LMSQGBKOHNDORZ-HXUWFJFHSA-N 364.474 3.503 0 40 FHAB CNC(=O)c1ccc(/C=C/c2nc(-c3ccc4ncccc4c3)no2)cc1 544200637 SJELXUNORKNJIR-IZZDOVSWSA-N 356.385 3.815 0 40 FHAB CC[C@H](C)Oc1cc(CNC(=O)c2cnnc(-c3ccccc3)c2)ccn1 578565813 NTEFSGHVEVXYKR-HNNXBMFYSA-N 362.433 3.646 0 40 FHAB CCCN(CCN1CCCC1)C(=O)c1cc(C)nc2c1cnn2[C@H](C)CC 585082500 ZQCMNDWBGRLZMP-QGZVFWFLSA-N 371.529 3.659 0 40 FHAB O=C(NC1(c2ccc(F)cc2F)CCC1)c1ccc(C(F)(F)F)c(O)n1 613122967 YJEHFFMUHPAFKK-UHFFFAOYSA-N 372.293 3.893 0 40 FHAB CC(C)[C@@H](CNC(=O)c1cc(C(F)(F)F)cnc1O)Nc1ccccc1 639476349 DFOXCBVVNCVAKQ-OAHLLOKOSA-N 367.371 3.673 0 40 FHAB CCN1CCC[C@@H](CN(C)Cc2ncc(C(C)(C)C)o2)[C@@H]1c1cnn(C)c1 661524280 RFFLRFIRCNCKJX-OXJNMPFZSA-N 373.545 3.611 0 40 FHAB O=C(NCCC1=CCCCC1)C(=O)NC[C@H](c1ccsc1)c1ccco1 675007615 AHGFJHJJENZUOC-QGZVFWFLSA-N 372.490 3.596 0 40 FHAB CCN1CC[C@H]1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 1628930035 BOPIEBHCOYTJHE-KRWDZBQOSA-N 351.475 3.920 0 40 FHAB CC1=CC(C)(C)N2C(=O)[C@](O)([C@@H]3CC[C@@H](C)CC3=O)c3cc(F)cc1c32 1740816803 VTUGJZCQRMESKN-OGXQQIFESA-N 357.425 3.561 0 40 FHAB CC(C)(C)c1ccc(=O)n(C2CCN(c3nc4ccccc4s3)CC2)n1 1775969363 NEYKMLDCPPCSQV-UHFFFAOYSA-N 368.506 3.992 0 40 FHAB Cc1cc(C)c2c(c1)cc(C)c1nnc(SCC(=O)NC3CCCC3)n12 929746 GDOZDKOCXPIUNC-UHFFFAOYSA-N 368.506 3.959 0 40 FHAB C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OP(=O)(O)O 2083221 BBWXLCKRYRQQPL-KFGODFMUSA-N 352.367 3.726 0 40 FHAB in-vitro CCOC(=O)CCCCCC(=O)c1ccc(I)cc1 2580302 QDPTVSXZMUVECU-UHFFFAOYSA-N 374.218 3.988 0 40 FHAB O=C(Nc1cccc(I)c1)c1cc(F)cc(F)c1 2654285 JVFHHLIMYHHDRI-UHFFFAOYSA-N 359.113 3.822 0 40 FHAB O=C(COC(=O)c1ccc(O)cc1)Nc1ccc(Oc2ccccc2)cc1 3271654 NYIFJYYSBKPMGA-UHFFFAOYSA-N 363.369 3.980 0 40 FHAB Cn1c(SCC(=O)NC2CCCCCCC2)nnc1-c1ccccc1 3297429 HFRXDMPRHZEILL-UHFFFAOYSA-N 358.511 3.803 0 40 FHAB Cc1cccc(Nc2nnc(SCC(=O)Nc3cc(C)on3)s2)c1 3316807 HFKVLHQZZTYYLB-UHFFFAOYSA-N 361.452 3.617 0 40 FHAB CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCN(CC)C2 4086891 ACKAETYTTOEJGW-UHFFFAOYSA-N 358.463 3.555 0 40 FHAB O=C(c1ccc2c(c1)OCO2)N1CCN=C1SCc1ccccc1Cl 4120268 XEBGGWZEIOZYQY-UHFFFAOYSA-N 374.849 3.814 0 40 FHAB CCN1C(=O)N/C(=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)C1=O 4702433 OKDVWFRNPZOFJQ-XDHOZWIPSA-N 359.429 3.911 0 40 FHAB CCN(CC)CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 5578606 ANESEFKGCBUFHJ-UHFFFAOYSA-N 362.477 3.611 0 40 FHAB CN(c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)S(C)(=O)=O 6083659 WQCVGQUQIASLAH-UHFFFAOYSA-N 373.261 3.642 0 40 FHAB Cc1ccc(-c2noc(CCC(=O)NCc3ccc(Cl)cc3)n2)cc1 7380585 ULIYOJJGSSUIBI-UHFFFAOYSA-N 355.825 3.947 0 40 FHAB COc1ccccc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 7814892 UCSNPUXSQHHKCZ-UHFFFAOYSA-N 362.433 3.932 0 40 FHAB COc1cccc(/C=C2\N=C(c3ccccc3F)OC2=O)c1OC(F)F 8179270 RVMOOHKRDCQGJZ-LCYFTJDESA-N 363.291 3.780 0 40 FHAB C[C@H]1CN(C(=S)Nc2ccc(Br)cc2Cl)C[C@H](C)O1 8270922 DECNLPJMMKBZSJ-IUCAKERBSA-N 363.708 3.909 0 40 FHAB O=C1c2ccccc2N[C@]2(C(=O)Nc3ccc(F)cc32)N1c1ccccc1 8428560 WHNAOWADPNVTPP-NRFANRHFSA-N 359.360 3.703 0 40 FHAB Cc1c(NC(=O)COC(=O)c2ccco2)ccc(Br)c1Cl 8433686 AXDYMVAZSQHINW-UHFFFAOYSA-N 372.602 3.799 0 40 FHAB Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NCc1ccco1 8567163 CEWYUNFOKRDXST-GFCCVEGCSA-N 352.228 3.743 0 40 FHAB Cc1ccc(CSc2nc(CC(=O)NCc3ccccn3)cs2)cc1 8936337 DQTHGWAKYOPPCQ-UHFFFAOYSA-N 369.515 3.998 0 40 FHAB O=C(CN1CCC[C@@H](C(F)(F)F)C1)NCC12CC3CC(CC(C3)C1)C2 8945551 USFYZCUKQPAXRK-QFQXCOSMSA-N 358.448 3.593 0 40 FHAB O=c1[nH]c(SCc2ccc(F)cc2)nc2c(-c3ccc(F)cc3)cnn12 9106825 SJFGLFOZKVGQBG-UHFFFAOYSA-N 370.384 3.655 0 40 FHAB COc1ccc(-c2nc(C(=O)NCCc3cccc(F)c3)cs2)cc1 10101769 AODVZRIONQJYGC-UHFFFAOYSA-N 356.422 3.930 0 40 FHAB O=C(NCCc1ccc(-n2cccn2)cc1)c1ccc(C(F)(F)F)cc1 10820597 PZJZHSXGQJBJAA-UHFFFAOYSA-N 359.351 3.864 0 40 FHAB CSc1ncccc1C(=O)Nc1cc2c(cc1Cl)OCCCO2 11003612 HBENQTBPFOJZIG-UHFFFAOYSA-N 350.827 3.871 0 40 FHAB Cc1cccc(C)c1OCC(=O)N(C)Cc1cnn(Cc2ccccc2)c1 11082740 WNMWOSGHUYGJAO-UHFFFAOYSA-N 363.461 3.586 0 40 FHAB Cc1sc2ncn(CC(=O)N[C@H](c3ccccc3)C(C)C)c(=O)c2c1C 11236099 TXYDYPQYSMLLPO-SFHVURJKSA-N 369.490 3.588 0 40 FHAB Cc1ccc(NC(=O)CCCn2nc(-c3ccco3)ccc2=O)cc1Cl 11695846 QLOGKBIKFCNFSD-UHFFFAOYSA-N 371.824 3.884 0 40 FHAB CCn1c(N2CCC[C@@H](C(=O)NCc3cccs3)C2)nc2ccccc21 12145823 LCEUIVWJIZBELA-OAHLLOKOSA-N 368.506 3.651 0 40 FHAB CC(C)(C)C(=O)N1CCC(C(=O)N2CC=C(c3ccccc3)CC2)CC1 12614576 AKBSSFRGOUKODA-UHFFFAOYSA-N 354.494 3.587 0 40 FHAB CC(C)c1cccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c1 12743994 GIUHZQZZUQMFRN-UHFFFAOYSA-N 372.490 3.775 0 40 FHAB O=C(CCCNC(=O)c1ccco1)NCc1ccc(-c2ccc(F)cc2)o1 12777168 NKORAVIVLJQKQZ-UHFFFAOYSA-N 370.380 3.505 0 40 FHAB CN(Cc1ccccc1Cl)C(=O)Cc1ccc(N2CCCC2=O)cc1 12779403 XLCJLSIXTXQFLW-UHFFFAOYSA-N 356.853 3.668 0 40 FHAB O=C(Nc1cccc(F)c1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 12859227 XGQWINYTIBXWOK-MDZDMXLPSA-N 352.409 3.716 0 40 FHAB CC(C)[C@H](NC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1cccs1 12971623 GPJNMEPBSLSRGD-SFHVURJKSA-N 356.447 3.529 0 40 FHAB CN(CC(=O)N1c2ccccc2NC(=O)C1(C)C)Cc1ccc(Cl)cc1 13039806 YRJKKGNLJZDULZ-UHFFFAOYSA-N 371.868 3.536 0 40 FHAB Cc1ccsc1CN1CCC[C@@H]2CN(C(=O)c3cccc(F)c3)C[C@@H]21 13227773 VTGHXMXSPMVAET-AEFFLSMTSA-N 358.482 3.932 0 40 FHAB O=C(NCCCn1ccnc1)c1ccc(OCc2ccccc2Cl)cc1 13687858 ULDYROAYXVRTOO-UHFFFAOYSA-N 369.852 3.936 0 40 FHAB COc1cc2c(NCc3cccc(Cl)c3)ncnc2c(OC)c1OC 13834082 ZUPSCXYTJZQJRM-UHFFFAOYSA-N 359.813 3.921 0 40 FHAB COc1cc(OC)c(NCC(=O)Nc2cc(F)ccc2F)cc1Cl 14196953 PPGIDKMXWBVWDU-UHFFFAOYSA-N 356.756 3.686 0 40 FHAB O=C1NC2(CCCCCC2)C(=O)N1Cc1nnc(-c2ccc(Cl)cc2)o1 14202413 YZAZXOIJECOVSP-UHFFFAOYSA-N 374.828 3.535 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 14412871 ATLXWBWRIXSQHW-UHFFFAOYSA-N 360.479 3.767 0 40 FHAB C[C@H](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccc(F)c(F)c1 14900078 OOLZNCXDIDPJPZ-WFASDCNBSA-N 358.388 3.733 0 40 FHAB COC(=O)c1sccc1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 15606539 ZYAYEJHWJJADOQ-UHFFFAOYSA-N 355.419 3.590 0 40 FHAB CC[C@H](NC(=O)c1nn(-c2ccccc2)cc1OC)c1ccc(OC)cc1 18131911 VGGFACUUOZADPE-SFHVURJKSA-N 365.433 3.771 0 40 FHAB COc1cc(/C=C2\S[C@H]3Nc4ccccc4N3C2=O)cc(OC)c1OC 19074896 IOYACGCXSYDNII-LZOLKVDOSA-N 370.430 3.542 0 40 FHAB CCCNC(=O)c1cc([C@@H]2CCCN(Cc3ccccc3Cl)C2)no1 19503710 HFHRPVHQUFIMAJ-OAHLLOKOSA-N 361.873 3.847 0 40 FHAB Cc1noc(C)c1CC(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 19658227 HYRBIRYLGKFRMF-UHFFFAOYSA-N 362.842 3.568 0 40 FHAB CCCC[C@@H](c1nnnn1C(C)(C)C)N1CCN(C2CCCCC2)CC1 20139178 AXRYZIGWIHHBBS-SFHVURJKSA-N 362.566 3.610 0 40 FHAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)COc1ccc(C)cc1C 20144034 RYAKIAJFLKFRFW-UHFFFAOYSA-N 363.797 3.681 0 40 FHAB CCCCCn1c(=N)n(C[C@@H](O)COc2cccc(C)c2)c2ccccc21 20292806 FZFXKVXUQPPZJU-GOSISDBHSA-N 367.493 3.861 0 40 FHAB COc1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccccc2)cc1Cl 20745661 TXYDTMASCONOSZ-KBXCAEBGSA-N 358.825 3.507 0 40 FHAB O=C(NCC[C@H]1C(=O)Nc2ccccc21)c1cc2c(s1)CCCCC2 24392001 SCTHNWLHNCWRED-OAHLLOKOSA-N 354.475 3.873 0 40 FHAB CCc1ccccc1-n1ncc2c1N=C(O)C[C@]21C(=O)Nc2ccccc21 32095258 CYKHNKXSCITYNY-OAQYLSRUSA-N 358.401 3.665 0 40 FHAB COc1ccc(CN(C)[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1F 32718917 LBFDXFVQYUKLFK-DFLMZXFUSA-N 374.500 3.740 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)SCCn2c(=O)oc3ccccc32)cc1F 32809809 AGPCPIJCUWJFNK-ZDUSSCGKSA-N 374.437 3.802 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2ccc(Sc3nccn3C)cc2)c1 32865900 QVTNJPBYJPAKKB-UHFFFAOYSA-N 369.446 3.841 0 40 FHAB CC(=O)c1cccc(OC[C@@H](O)CN(C)[C@H](C)c2ccc(F)c(F)c2)c1 34870246 VZAHBJUSERMORJ-DYVFJYSZSA-N 363.404 3.600 0 40 FHAB CCCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccccn1 35289116 DLZBGPGEJOQRDN-UHFFFAOYSA-N 371.441 3.620 0 40 FHAB CCn1cc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)c(C)n1 36616392 HQBDRFDRSRZZCT-UHFFFAOYSA-N 374.448 3.895 0 40 FHAB COc1cccc2cc(C(=O)NCC3(c4ccccc4)CCOCC3)oc12 38940026 ALTPQYPMEOFRIA-UHFFFAOYSA-N 365.429 3.920 0 40 FHAB Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc(CN3CCOCC3)c2)c1 44900364 SENWOQDISXYMIV-GOSISDBHSA-N 352.478 3.627 0 40 FHAB COc1cc(CNC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)ccn1 45494617 QLZCBADBECBRME-OAHLLOKOSA-N 368.462 3.747 0 40 FHAB O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCCCCC1 48428082 ITGXLTIPUMNTKH-UHFFFAOYSA-N 371.403 3.950 0 40 FHAB Cc1cc(C)n(-c2nccnc2SCC(=O)Nc2ccc(C)c(C)c2)n1 49404406 JCJUYXNOZDYCLW-UHFFFAOYSA-N 367.478 3.627 0 40 FHAB CCOc1ccc(-c2nc(N)cc(Nc3ccccc3C(=O)OC)n2)cc1 49468090 NPHCKIBMIICMIP-UHFFFAOYSA-N 364.405 3.655 0 40 FHAB CN(C(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21)C1CCCCC1 57476752 SZBCEOQLBRAFMM-GOSISDBHSA-N 350.462 3.998 0 40 FHAB O=C(Nc1ccc2nc[nH]c(=O)c2c1)c1cc2c(s1)CCCCCC2 58113017 WQGUFMGPWLTUOL-UHFFFAOYSA-N 353.447 3.896 0 40 FHAB C[C@@H](OC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)C(=O)NC1CC1 58124511 WKSALOVNVGSHLE-SCSAIBSYSA-N 372.035 3.519 0 40 FHAB COc1ccc(C(=O)N(C)C)cc1NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 58366237 ZEXSPHAWXHOEDN-LSDHHAIUSA-N 372.852 3.793 0 40 FHAB COCCn1ncc2ccc(NC(=O)N3CCC[C@@H]3C3CCCC3)cc21 58676255 TUQVFSYLAMBOTF-GOSISDBHSA-N 356.470 3.869 0 40 FHAB O=C1C[C@@H](c2ccsc2)c2c(c(C(=O)O)cn2-c2ccccc2F)N1 61719241 IDOORROSOPMUBD-NSHDSACASA-N 356.378 3.850 0 40 FHAB CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1NC(=O)c1cccc2[nH]ncc12 65888623 RROGOJQTXYGHAK-IAGOWNOFSA-N 372.469 3.519 0 40 FHAB CNc1nc(C)cc(N2CCC[C@@H](c3[nH]ncc3-c3ccc(F)cc3)C2)n1 67741285 CEMCNNQIWQWNGX-OAHLLOKOSA-N 366.444 3.740 0 40 FHAB COc1ccc(-c2csc(CNC(=O)c3ccccc3OC)n2)cc1 72264957 DYDDSRJKIZDLKI-UHFFFAOYSA-N 354.431 3.757 0 40 FHAB CCSCC[C@@H](C)N(C)CC(=O)N(Cc1ccccc1F)C1CC1 72305341 ULXKSGRXSUKZOW-OAHLLOKOSA-N 352.519 3.780 0 40 FHAB CN(C)CC(=O)N1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 72350115 DLTBOQDZNKWJIS-MRXNPFEDSA-N 357.885 3.670 0 40 FHAB O=C(NCCc1c[nH]c2ccc(F)cc12)C1(c2ccccc2)CCOCC1 72402259 STLIDIDHVXAQNF-UHFFFAOYSA-N 366.436 3.714 0 40 FHAB CC[C@@H](NC(=O)CCc1ccc(C)o1)[C@@H](c1ccc(C)cc1)n1cncn1 89941931 YSPHSJSKBKBZQI-TZIWHRDSSA-N 366.465 3.605 0 40 FHAB CN1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1ccco1)CC2 96036976 VLNMPCXLCXHURM-UHFFFAOYSA-N 362.477 3.580 0 40 FHAB Cc1cccc(N2CCC3(CC2)C[C@H](N(C)Cc2ccccc2)CO3)n1 96073280 HEQBTKKOHXGJFS-FQEVSTJZSA-N 351.494 3.650 0 40 FHAB Cc1nn(CCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(C)c1Br 102614160 NETKLWUSJJMSHT-FBUXBERBSA-N 368.319 3.593 0 40 FHAB Cc1ccc(NC(=O)C23C[C@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)c(C)c1 102833571 FYTHXZSXMIXSLB-FBIZOPLVSA-N 350.466 3.829 0 40 FHAB O=C1/C(=C\c2csc(-c3ccsc3)n2)NC(=S)N1Cc1ccco1 103794202 AOQSDEZGZXPIBB-AWNIVKPZSA-N 373.484 3.722 0 40 FHAB O=C(/C=C\c1ccco1)OC(C(=O)c1ccccc1)C(=O)c1ccccc1 105789785 MOJKTSKFXSQWHB-YPKPFQOOSA-N 360.365 3.970 0 40 FHAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NC(C)(C)C)ccc2C)c1 107994162 UJOYEVYEPQYCJJ-UHFFFAOYSA-N 374.506 3.941 0 40 FHAB Cc1nc(COc2ccc(CN3CCN(C)C[C@H]3C(C)C)cc2)cs1 108176562 KFMPBRJAUNHGES-FQEVSTJZSA-N 359.539 3.803 0 40 FHAB COc1ccc([C@@H](C)NC(=O)COc2cccc(C(F)(F)F)c2)cc1 139642008 ZQRAJXZIVCKZOP-GFCCVEGCSA-N 353.340 3.970 0 40 FHAB COc1cc(CNC(=O)[C@@H](C)Oc2ccccc2OC)ccc1OC(C)C 219494125 ZLPOQRIJNLWOQA-OAHLLOKOSA-N 373.449 3.575 0 40 FHAB CCSc1ccccc1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 223875440 MMRRFHZKEFNMNP-ZDUSSCGKSA-N 363.504 3.693 0 40 FHAB CCOc1ccc(S(=O)(=O)N(C)c2ccc(Br)cc2)cc1 224582986 TZLAJGWTDDTGJF-UHFFFAOYSA-N 370.268 3.673 0 40 FHAB CCOCc1cc(C(=O)Nc2cc(OC)ccc2OC)ccc1OCC 224696919 WBUXCAMLMMDNTG-UHFFFAOYSA-N 359.422 3.891 0 40 FHAB COc1cc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1C 225087531 NQLWJWJCXQDAJS-UHFFFAOYSA-N 355.843 3.775 0 40 FHAB COc1ccccc1CN1CC[C@H]2COC(=O)N2c2cc(C)ccc2C1 225489751 LFIJSYDOHAFSHX-SFHVURJKSA-N 352.434 3.735 0 40 FHAB biogenic,in-vitro O=C(NC[C@](O)(c1ccco1)c1cccs1)C1(c2ccc(F)cc2)CC1 225587473 JGZWLJRUGUFGFK-FQEVSTJZSA-N 371.433 3.564 0 40 FHAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN(C)C)cc1 225734198 CMJFGQFUARNYRH-FQEVSTJZSA-N 350.503 3.797 0 40 FHAB Cc1cc(N2CCC(NC(=O)Cc3ccc(SC(C)C)cc3)CC2)n[nH]1 225750577 FCFAYJWXNPVGKO-UHFFFAOYSA-N 372.538 3.546 0 40 FHAB Cc1ncc(CN2CCO[C@H](c3ccc(Nc4ccccn4)cn3)C2)s1 257210809 BWHSVDWBVHMGSX-SFHVURJKSA-N 367.478 3.559 0 40 FHAB O=C(c1nccc2ccccc12)N1CCC[C@H](c2ccc3cn[nH]c3n2)C1 257332694 XYHHUEQQNHFAEG-INIZCTEOSA-N 357.417 3.526 0 40 FHAB CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccc(-c2ccccc2)s1 585082741 VBAQEPJPMLXAAB-RDTXWAMCSA-N 356.491 3.838 0 40 FHAB CCC(=O)c1cccc(NC(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)c1 612683739 QNOOBNWDHYNRAA-FQEVSTJZSA-N 364.445 3.898 0 40 FHAB O=C(NCc1c(F)cccc1OC(F)F)NC[C@H]1CCC2(CCCC2)O1 654468119 OSYGEUFYQPZMAQ-GFCCVEGCSA-N 372.387 3.718 0 40 FHAB Cc1nccc(N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)n1 1148237546 KKCRLQKMEBYJQJ-UHFFFAOYSA-N 353.344 3.731 0 40 FHAB Cn1cc(C(=O)CCC(=O)N[C@H]2CCC(C)(C)C[C@H]2c2ccccc2)cn1 1636379910 BGFDDUSUOIRCOR-OALUTQOASA-N 367.493 3.862 0 40 FHAB Cc1ccc(CN2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)cc1 2037839918 FNXHXPODNIZTRE-HSZRJFAPSA-N 364.489 3.783 0 40 FHAB CC(C)CCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 667179 WVQHOERGVOLNPH-FQEVSTJZSA-N 372.490 3.830 0 40 FHAB CSc1cc(CS(=O)(=O)c2ccccc2)nc(-c2ccccc2)n1 1383063 QGUOLGKOBHYENS-UHFFFAOYSA-N 356.472 3.839 0 40 FHAB Cc1cc(O)cc2c1[C@@H](c1ccccc1)C[C@@]1(CC(C)(C)NC(=S)N1)O2 1441334 IPBDAKITJGHCCH-IERDGZPVSA-N 368.502 3.958 0 40 FHAB CC(C)(C)C(=O)NCCc1nc2ccccc2n1Cc1ccccc1F 2721438 VOPUBTPESBKKAF-UHFFFAOYSA-N 353.441 3.929 0 40 FHAB Cc1cc(C)n(Cc2ccc(C(=O)n3nc(C4CC4)cc3C(F)F)o2)n1 2772032 YASDOGDSCSZOIO-UHFFFAOYSA-N 360.364 3.841 0 40 FHAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCCc1ccccc1 3437151 AYAUVESGFXIOBM-UHFFFAOYSA-N 353.853 3.866 0 40 FHAB COc1cccc(-n2c(C)nc3c(cnn3-c3ccc(Cl)cc3)c2=O)c1 4143795 YVRFNTXAJNMQNG-UHFFFAOYSA-N 366.808 3.542 0 40 FHAB CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2ccccc21 4289595 KLTATNKTOZHECN-UHFFFAOYSA-N 353.447 3.990 0 40 FHAB CCCCN1C(=O)[C@@](O)(CC(=O)c2ccc(OCC)cc2)c2ccccc21 4554960 OWZPTQZEPCQQNO-JOCHJYFZSA-N 367.445 3.693 0 40 FHAB COc1ccccc1-c1nnc2sc(COc3ccc(C)cc3)nn12 4664937 KMMVWIGIDKOTEP-UHFFFAOYSA-N 352.419 3.749 0 40 FHAB COc1ccc(C2=Nn3c(nnc3-c3ccc(C)cc3)SC2)cc1OC 5092975 QANNWAUHUXRHFY-UHFFFAOYSA-N 366.446 3.629 0 40 FHAB CC(C)Cc1nc2sc3c(NCCN(C)C)ncnc3c2c2c1CCC2 5267826 ZHSNSRDKZXSBRL-UHFFFAOYSA-N 369.538 3.900 0 40 FHAB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1ccc(F)cc1 5712035 QZHPOWOITRQFDI-VGOFMYFVSA-N 374.799 3.849 0 40 FHAB O=Cc1ccc(OCc2cccc(F)c2)c(I)c1 5757020 WXBGASXWUTZXPB-UHFFFAOYSA-N 356.134 3.822 0 40 FHAB COC(=O)C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 5944210 KAQLPFNBCYRBNN-UHFFFAOYSA-N 353.447 3.748 0 40 FHAB COc1ccccc1CN(C)[C@H](C)C(=O)N[C@H]1CCCc2ccccc21 6881548 WDBCAYZDCREMJO-UZLBHIALSA-N 352.478 3.709 0 40 FHAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccccc1 7729018 OMVKNNIPPDBGNR-UHFFFAOYSA-N 367.352 3.692 0 40 FHAB CCn1nnc2cc(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)ccc21 7778647 REGKQLUIMWDNCO-UHFFFAOYSA-N 364.405 3.745 0 40 FHAB COc1ccccc1N1C[C@H](C(=O)Nc2ccc(C(C)C)cc2)CC1=O 7842960 YZATWVLDVMSEMW-MRXNPFEDSA-N 352.434 3.810 0 40 FHAB COc1ccc(N2C(=O)/C(=C/c3c(F)cccc3Cl)NC2=S)cc1 8117472 SMOGYFCJEQDGDM-DHDCSXOGSA-N 362.813 3.750 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c1 8160861 LPGREAKDPYLYAB-OXQOHEQNSA-N 355.434 3.959 0 40 FHAB Cc1ccc(Nc2nn(CN3CCC[C@H](O)C3)c(=S)s2)cc1Cl 8993960 RAWNVEIIEWPXGI-LBPRGKRZSA-N 370.931 3.794 0 40 FHAB CCCOc1nn(CCC)cc1C(=O)Nc1ccc(C(=O)OCC)cc1 9070985 LDZCEQKMGDGAPP-UHFFFAOYSA-N 359.426 3.511 0 40 FHAB COc1cc(NC(C)=O)c(Cl)cc1C(=O)N1c2ccccc2C[C@H]1C 9489229 SSDKCDWRMMPTCF-LLVKDONJSA-N 358.825 3.898 0 40 FHAB Cc1ccc(-n2nnnc2CNC(=O)c2ccc(-c3ccccc3)cc2)cc1 9570589 ZQSCAQDJJJZFCO-UHFFFAOYSA-N 369.428 3.568 0 40 FHAB COC(=O)c1cc(NC(=O)c2ccc(CN3CCCC3)cc2)ccc1Cl 10434019 DUEADMVBORVYFN-UHFFFAOYSA-N 372.852 3.975 0 40 FHAB CCn1c(SC(C)C)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 11021657 FEDDGBZCXKZADB-UHFFFAOYSA-N 367.540 3.731 0 40 FHAB Cc1ccc(CCC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 11990515 QCVOBHVLBMWLBF-UHFFFAOYSA-N 374.487 3.580 0 40 FHAB COc1cccc([C@H]2C[C@@H](c3ccccc3Cl)Nc3nc(N)nn32)c1 12469153 QFOZXJJXXRICQD-JKSUJKDBSA-N 355.829 3.669 0 40 FHAB O=C(NC1CC1)[C@@H](Sc1nc(-c2cccs2)n[nH]1)c1ccccc1 12616283 ZKLYROVTYZSBTR-AWEZNQCLSA-N 356.476 3.645 0 40 FHAB O=C(CN1CCCC1=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 12758255 ZVWFEBWOJDPKRW-UHFFFAOYSA-N 352.478 3.715 0 40 FHAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(C)c(F)c3)CC2=O)cc1 12802343 RBLBELWKUBOCEN-AWEZNQCLSA-N 356.397 3.524 0 40 FHAB CC(C)CC[C@H](C)NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 12812400 HUACFOZBJJCYMV-HNNXBMFYSA-N 355.482 3.677 0 40 FHAB COc1ccc(OC)c([C@H]2c3cc4c(cc3O[C@](C)(OC)[C@@H]2C)OCO4)c1 12857498 ZTEKYRBIKZVOMH-NSZCRDCNSA-N 372.417 3.956 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)ccc21 12868881 CYHJGPTUTWVGNB-LBPRGKRZSA-N 358.825 3.655 0 40 FHAB CCn1c(SCc2cccc(C(=O)OC)c2)nc2ccsc2c1=O 12906300 CEOYVCWUXLVDFB-UHFFFAOYSA-N 360.460 3.557 0 40 FHAB CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ncc(C)s2)CC1=O 13005957 KWJJZZBKOWMXFR-OCCSQVGLSA-N 357.479 3.957 0 40 FHAB CN(Cc1ccccc1Cl)Cn1nc(-c2cccnc2)n(C)c1=S 13070388 QMFWBOAMFGNRIO-UHFFFAOYSA-N 359.886 3.756 0 40 FHAB C[C@H]1CN(C(=O)[C@@H](C)OC(=O)c2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 13526307 WJRSNCVRIYLUSS-IXDOHACOSA-N 367.445 3.535 0 40 FHAB CCOc1ccc2[nH]c(=O)c(CNc3c(OC)cccc3OC)cc2c1 13561403 CHDJWAFEENFUBX-UHFFFAOYSA-N 354.406 3.556 0 40 FHAB Cc1[nH]c2ccc(C(=O)OCC(=O)N3CCc4sccc4C3)cc2c1C 14181342 OHIASNRLZASNKT-UHFFFAOYSA-N 368.458 3.588 0 40 FHAB COc1ccc(C)cc1N1C[C@@H](C(=O)Oc2cccc(Cl)c2)CC1=O 14470314 ZAAODHLTVXYGOV-ZDUSSCGKSA-N 359.809 3.616 0 40 FHAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccncc1 15647954 CCMFZPKFSGHERV-UHFFFAOYSA-N 366.248 3.879 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)c1nc(Cl)ccc1Cl)c1ccccc1 16470860 MOUGKHQZEUUELF-AWEZNQCLSA-N 361.232 3.641 0 40 FHAB COc1cc(C(=O)NCCCOc2cccc(C)c2)cc(Cl)c1OC 16709157 UCYWSGLXUWAKGX-UHFFFAOYSA-N 363.841 3.865 0 40 FHAB COc1ccc(-c2nc(C(=O)NCCc3ccccc3OC)cs2)cc1 17845844 VYNKVBGOTCCOCG-UHFFFAOYSA-N 368.458 3.800 0 40 FHAB COc1ccc(CN2CCCCC[C@@H]2c2ccn(C)n2)c(OC)c1OC 19291071 BJKYQHSUTHAPAS-QGZVFWFLSA-N 359.470 3.563 0 40 FHAB CC(C)c1cc(C(=O)N[C@@H](Cc2ccsc2)c2nccs2)n(C)n1 19452267 WFRSYXZDQFTYNY-AWEZNQCLSA-N 360.508 3.775 0 40 FHAB O=C1Nc2ccccc2CC[C@@H]1Sc1nnc2sc3ccccc3n12 20745469 ZWURCYTXCQRRMR-HNNXBMFYSA-N 366.471 3.990 0 40 FHAB CCC[C@](O)(c1ccc(OC)cc1)[C@@H](CN1CCOCC1)c1ccccc1 20756569 MCPXRMSANKDTNK-GOTSBHOMSA-N 369.505 3.799 0 40 FHAB O=C(Cn1c(=O)cnc2ccccc21)N(Cc1ccccc1)c1ccccc1 21336481 WOIDOAMFPIGREN-UHFFFAOYSA-N 369.424 3.630 0 40 FHAB O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cc(-c2ccccc2)on1 21805588 HFCZHGKQCSYCNH-KRWDZBQOSA-N 367.474 3.970 0 40 FHAB CCNc1nc(SCC(=O)c2ccc3c(c2)CCO3)nc2ccccc12 26279806 JUHHWFSIKABZIE-UHFFFAOYSA-N 365.458 3.972 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2sc3cccc(F)c3c2C)no1 27101848 GOCKEDANEURAEQ-SNVBAGLBSA-N 362.382 3.829 0 40 FHAB Cc1ccc(C(=O)N2CCCC[C@@H]2CCS(=O)(=O)c2ccccc2)cc1 27988154 AUZVBPGKABJMAK-LJQANCHMSA-N 371.502 3.854 0 40 FHAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cccc(C[S@](C)=O)c1 30134952 VSJVXUHSMDBQKO-AIEHDKFYSA-N 359.535 3.854 0 40 FHAB Cc1cccc(Cn2nc(C)c(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c2C)c1 32610090 IPEWDSDCMXYPAP-MSOLQXFVSA-N 369.465 3.686 0 40 FHAB O=C(O)CC1(CC(=O)Nc2ccccc2C(=O)N2CCCC2)CCCCC1 32739803 MSQWDDZKFYLBIE-UHFFFAOYSA-N 372.465 3.676 0 40 FHAB NC(=O)Nc1ccc(NC(=O)c2csc(-c3ccc(F)cc3)n2)cc1 32901860 GVOSVFLVCKIMJE-UHFFFAOYSA-N 356.382 3.692 0 40 FHAB CCc1nc(SCC(=O)NC(C)C)nc(N)c1-c1ccc(Cl)cc1 32905963 POLPGFFBRZJPSX-UHFFFAOYSA-N 364.902 3.558 0 40 FHAB CCOc1ccc2ncc(C(=O)c3ccccc3)c(N3CCOCC3)c2c1 36102729 WBPODAUYHGRRKA-UHFFFAOYSA-N 362.429 3.701 0 40 FHAB Cc1nn(C)cc1-c1nn2c(-c3cccc(Cl)c3Cl)nnc2s1 36357565 JMTJOOUWGVIDLG-UHFFFAOYSA-N 365.249 3.869 0 40 FHAB Cc1cccc(C)c1N1C(=O)C[C@@H](Nc2ccc(Br)cc2)C1=O 36635508 LKXGZHZERYOFNL-OAHLLOKOSA-N 373.250 3.810 0 40 FHAB C[C@@H]1CCCN(C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C2CCCC2)C1 36741256 DWGDIURVIOMZOG-VGSWGCGISA-N 370.537 3.921 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)c2n[nH]nc2Nc2ccccc2)c1 38487164 OGJBRESZQIYZBH-UHFFFAOYSA-N 367.409 3.598 0 40 FHAB CCc1ccc(C(=O)N[C@@H](C)CCN2CCN(c3ccccc3)CC2)s1 40092556 TYEYKYKKRVUUOZ-KRWDZBQOSA-N 371.550 3.641 0 40 FHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Nc1ccccc1SCC(N)=O 40120430 PONBMSFKIGWTMF-IJEWVQPXSA-N 363.527 3.846 0 40 FHAB O=C(Nc1nc2ccccc2s1)N1CCC[C@@H]1c1nnc2ccccn12 40151546 VIXCHXWPZBTXGP-CYBMUJFWSA-N 364.434 3.708 0 40 FHAB COc1ccc(NC(=O)CSCc2ccccn2)cc1OC(F)F 40152604 XJRUSSUZLIIAJM-UHFFFAOYSA-N 354.378 3.564 0 40 FHAB Cc1c(C(=O)Nc2ccc(Br)cc2)c(=O)[nH]c2ccccc12 40176367 UASZFFCANZYFAF-UHFFFAOYSA-N 357.207 3.851 0 40 FHAB CC(C)c1ccc(OCCOC[C@H](O)CN2CCc3ccccc3C2)cc1 40373356 UQJGAVXCIYEZHU-JOCHJYFZSA-N 369.505 3.625 0 40 FHAB CCOC(=O)CCCCCCC(=O)c1ccc(OC)c(OC)c1OC 43214418 UDNMZCFRUNOENF-UHFFFAOYSA-N 352.427 3.799 0 40 FHAB O=C(N[C@H](c1cccs1)C1CCCC1)c1cccc(N2CCNC2=O)c1 48362550 SIJLZZOIUMJGGB-SFHVURJKSA-N 369.490 3.939 0 40 FHAB O=C1CCCN1C[C@H](NCc1cnc(-c2ccccc2)nc1)c1ccccc1 48366675 WHQATGLMLDLWJM-NRFANRHFSA-N 372.472 3.597 0 40 FHAB Cc1ccc(NCC(=O)Nc2cccc(I)c2)cc1 48421985 JFKIAUFQIDUABC-UHFFFAOYSA-N 366.202 3.650 0 40 FHAB Cn1c(=O)c([C@H]2CC(O)=Nc3c2cnn3C(C)(C)C)cc2ccccc21 49549539 OJOBFPBPGVYWKZ-CYBMUJFWSA-N 350.422 3.614 0 40 FHAB O=C(COC(=O)c1ccccc1Cl)NCc1cccc(C(F)(F)F)c1 51356242 XLCVSTRGIYVPGQ-UHFFFAOYSA-N 371.742 3.832 0 40 FHAB CN1CCc2nc(NC(=O)c3ccccc3Oc3cccnc3)sc2C1 52147412 AYFPFDKWHCCMBE-UHFFFAOYSA-N 366.446 3.571 0 40 FHAB CN(C(=O)c1ccc(NC(=O)[C@@H]2CCCO2)cc1Cl)C1CCCCC1 55648226 DUHQQFLKKFUGAN-KRWDZBQOSA-N 364.873 3.862 0 40 FHAB CCCN(C(=O)c1ccc(-n2ccnc2)nc1)[C@@H]1CCc2ccccc2C1 56352065 AIBHYWQZSMSZQO-HXUWFJFHSA-N 360.461 3.677 0 40 FHAB CCSCCC(=O)Nc1ccccc1NS(=O)(=O)c1cccs1 56886149 XLPXAMRSUGODJU-UHFFFAOYSA-N 370.521 3.631 0 40 FHAB CCc1cc(=O)n(CC(=O)Nc2ccccc2)c(-c2cccc(Cl)c2)n1 57527679 OPSDJGISWUOUID-UHFFFAOYSA-N 367.836 3.765 0 40 FHAB COc1ccc(NC(=O)[C@@H]2CCCN2Cc2csc(C(C)C)n2)cc1 58065389 FENCZYCGDPJOAO-KRWDZBQOSA-N 359.495 3.878 0 40 FHAB CC(C)(C)OCCN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 58441311 MHNHTWCIHOAZEF-UHFFFAOYSA-N 351.443 3.836 0 40 FHAB C[C@H]1CN(C(=O)c2c(Cl)nc3ccccn23)C[C@@H](c2ccccc2)O1 62517201 ZGAPZPXKVWXSJY-ZFWWWQNUSA-N 355.825 3.590 0 40 FHAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1C[C@H]1c1cccc(F)c1 67033507 ZSUMHFBTTLBLAM-RBUKOAKNSA-N 352.409 3.804 0 40 FHAB CCCCN(C)C[C@H](C)OC(=O)C(O)(c1ccccc1)c1ccccc1 67319149 HDWDSQSFHHWROG-SFHVURJKSA-N 355.478 3.586 0 40 FHAB O=C(O)c1nsc2c1N=C(O)C[C@H]2c1cccc(Br)c1 71283077 LQYQPUDQMFVBOZ-QMMMGPOBSA-N 353.197 3.727 0 40 FHAB CC(=O)NCc1cnc([C@@H]2CCCN2C2CCCC2)cc1C(F)(F)F 72355971 JBAQVYLEWIMHEY-KRWDZBQOSA-N 355.404 3.816 0 40 FHAB O=C(C1CCCCC1)N1CCCC[C@@H]1c1ccnc(Nc2cncnc2)n1 72377679 SOXROFBRMTTXRG-GOSISDBHSA-N 366.469 3.644 0 40 FHAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2nc(C3CC3)cs2)CC1=O 74526079 GLXHBJSBDWDJHU-DOMZBBRYSA-N 355.463 3.569 0 40 FHAB CCC(=O)N1CSC[C@H]1C(=O)Nc1cccc(Oc2ccccc2)c1 78461539 YTMARAYQOSZISZ-KRWDZBQOSA-N 356.447 3.729 0 40 FHAB C[C@H](NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccc2c(c1)CCO2 84651765 RFQBBZFETHOFQS-ZDUSSCGKSA-N 353.466 3.941 0 40 FHAB CC[C@@]1(C(=O)N(C)Cc2cccs2)CCCN1C(=O)OC(C)(C)C 95458704 OUUHILIDBTUVAK-SFHVURJKSA-N 352.500 3.886 0 40 FHAB Cc1ccc(CN2CCO[C@H]3[C@@H]2CC[C@@H]3COCc2nccs2)s1 96055329 PFSNEYAEYKKSAY-UWWQBHOKSA-N 364.536 3.709 0 40 FHAB COC(=O)N1CCc2ccc(NC(=O)c3c(F)cccc3Cl)cc2C1 96096256 FTCAYWMXIDGGMZ-UHFFFAOYSA-N 362.788 3.856 0 40 FHAB Cc1cnc(NC(=O)CCCN2C(=O)CC(C)(C)c3ccccc32)s1 96183650 MHHAAPSMPDNZJU-UHFFFAOYSA-N 357.479 3.885 0 40 FHAB Cc1ccc(CN2CC[C@@]3(COCc4cnc(-c5cccnc5)nc43)C2)cc1 96244253 TUZZMOQXBJRJCD-QHCPKHFHSA-N 372.472 3.521 0 40 FHAB O=C(c1ccccc1)N1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 98211739 MGTVLVROUOTVNU-UHFFFAOYSA-N 366.852 3.693 0 40 FHAB O=C(Cn1nnc2ccccc21)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 100166376 GKFSEUTYXRYZCY-QZTJIDSGSA-N 364.424 3.508 0 40 FHAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2C(=O)N1CCCCC1)C1CCCCC1 100426705 WKSPHKXNQUHVEX-OALUTQOASA-N 361.530 3.674 0 40 FHAB CC(C)Cn1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1ccc(Cl)cc1 101113626 BBXVSVIPIWUTOD-HAVVHWLPSA-N 370.840 3.772 0 40 FHAB Cc1cc(OC2CCN(C(=O)CCSc3ccccc3)CC2)cc(=O)o1 206971075 HHHXDMYZSCJPAP-UHFFFAOYSA-N 373.474 3.500 0 40 FHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N(C)Cc1nc(-c2cccs2)no1 219601168 MOBNGUJBBKKYJR-OAHLLOKOSA-N 371.462 3.923 0 40 FHAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccs2)N1Cc1cccnc1 223447663 MGQGQKHZDNAGBW-DLBZAZTESA-N 352.488 3.711 0 40 FHAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1Cl 223825868 WBZFHPSKOPBJTK-UHFFFAOYSA-N 353.827 3.544 0 40 FHAB Cc1cc(S(=O)(=O)NC(C)(C)CC(C)(C)C)ccc1N1CCCC1=O 224374762 JLJZGRUUMPBKMA-UHFFFAOYSA-N 366.527 3.615 0 40 FHAB COc1ccc(CSCC(=O)Nc2nnc(SC(C)C)s2)cc1 225093421 FQEWADNTMYLWBL-UHFFFAOYSA-N 369.537 3.919 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)C(C)C)cc2C)cc1 225205125 QUJQHAMSVCJIOB-INIZCTEOSA-N 374.506 3.879 0 40 FHAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 225630713 PHMFAIZNHTYKOP-HYRRULHTSA-N 359.731 3.820 0 40 FHAB CCCO[C@@](C)(C(=O)Nc1ccc(OCC)c(C(=O)OCC)c1)C1CC1 225857864 VFDSZJWDPHIWLI-HXUWFJFHSA-N 363.454 3.796 0 40 FHAB CCCC[C@@](C)(OCCC)C(=O)Nc1cnc(OCCOC)c(C)c1 225907597 AFWSVBCFLKVRTA-LJQANCHMSA-N 352.475 3.729 0 40 FHAB Cn1ccc2cc([C@H](O)CNC(=O)C3(c4cccs4)CCCC3)ccc21 245026745 NJUXIXVCLXPICU-GOSISDBHSA-N 368.502 3.901 0 40 FHAB C[C@@H]1CCC2=NN(C(=O)c3ccc(Cl)cc3)[C@@](O)(C(F)(F)F)[C@H]2C1 245297622 VHDNLZPAGIEZFC-LYSGOOTNSA-N 360.763 3.839 0 40 FHAB O=C(COc1ccccc1F)Nc1ccccc1-c1cn2c(n1)SCC2 253472673 OJWCGBUYOBCVDP-UHFFFAOYSA-N 369.421 3.812 0 40 FHAB Cc1ncoc1C(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 257229613 FYTRBJHMMNQVFI-MRXNPFEDSA-N 351.406 3.582 0 40 FHAB Cc1nccc(CN2CCC(c3cccc(-c4c(C)noc4C)n3)CC2)n1 257232014 GIZUUSOHMXQPBL-UHFFFAOYSA-N 363.465 3.831 0 40 FHAB Clc1ccc(Oc2cncc([C@@H]3CCCN3Cc3c[nH]cn3)n2)cc1 257342502 ZOZCBCKEBJUPQO-KRWDZBQOSA-N 355.829 3.983 0 40 FHAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Oc2c(C)cccc2C)CC1=O 408653913 FPSSRDSWKCMFTN-CQSZACIVSA-N 373.836 3.924 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 408998114 AJBUOJCFCCXRIV-JQHSSLGASA-N 360.498 3.817 0 40 FHAB CC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 409381935 PIDVHSKXDABWMU-INIZCTEOSA-N 374.506 3.941 0 40 FHAB CC1(C)CN(C(=O)c2cc3c(cc2F)NC(=O)CC3)Cc2ccccc2O1 566703963 RUUGPUWGOROKDD-UHFFFAOYSA-N 368.408 3.524 0 40 FHAB COCCN1CCC[C@@]12CCCN(C(=O)c1ccc(Cl)c(F)c1)CC2 585100295 JUEBDCDWFSSSRP-LJQANCHMSA-N 368.880 3.586 0 40 FHAB O=C(NC[C@H](O)c1ccc(-c2ccco2)o1)C1(c2ccc(F)cc2)CC1 1775965513 ASWDIVGDJXYAOH-HNNXBMFYSA-N 355.365 3.560 0 40 FHAB COC(=O)c1c(NC(=O)C(C)C)sc(C(=O)Nc2ccccc2C)c1C 871250 FMKLSHJDABBHIY-UHFFFAOYSA-N 374.462 3.998 0 40 FHAB O=c1c2ccccc2n(Cc2ccccc2)c(=O)n1-c1cccc(Cl)c1 1260487 NHAKEBZMLKXFKL-UHFFFAOYSA-N 362.816 3.854 0 40 FHAB CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)OC(C)C 1353704 RAWRZYVDXKDJRP-UHFFFAOYSA-N 372.396 3.699 0 40 FHAB CC[C@@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3ccccc3)N2C1=O 2463446 YGJKUQALZSSWTA-GOEBONIOSA-N 358.463 3.677 0 40 FHAB CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@H](c3ccccc3)N2C1=O 2463488 MHUNLHPJSWTLBC-RDJZCZTQSA-N 372.490 3.925 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)c1cc2c(=O)n3ccccc3nc2s1 2722865 QQLCCNONQATQGN-LBPRGKRZSA-N 361.426 3.501 0 40 FHAB COc1ccc(-n2ccnc2SCC(=O)Nc2cccc(OC)c2)cc1 2723191 CSFYLSZHLFBMRL-UHFFFAOYSA-N 369.446 3.620 0 40 FHAB CC(=O)c1ccc(OCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 3271979 JCKPMAXKEPBYFE-UHFFFAOYSA-N 354.431 3.645 0 40 FHAB COc1ccc(Cl)cc1N[C@H]1CC(=O)N(c2ccc(C)cc2C)C1=O 3324940 UIYMSZURKISWCI-HNNXBMFYSA-N 358.825 3.709 0 40 FHAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3nc(C)sc3c2)cc1 3326852 ZUOJPQXAQZQUEX-UHFFFAOYSA-N 374.487 3.716 0 40 FHAB CC(C)(C)c1ccccc1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 3373316 VUOHSGCFOZMYAN-UHFFFAOYSA-N 361.445 3.841 0 40 FHAB C[C@H](OC(=O)c1ccc2ncsc2c1)C(=O)NCCC1=CCCCC1 3409243 WETAYBWPQDPBKV-ZDUSSCGKSA-N 358.463 3.848 0 40 FHAB CCC(CC)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 3505940 KHUWZGVFUBKBJV-UHFFFAOYSA-N 374.506 3.739 0 40 FHAB C[C@@H](Sc1nnc(-c2ccncc2)n1C)C(=O)Nc1cccc(Cl)c1 3578152 WSLQYARIXNOKAF-LLVKDONJSA-N 373.869 3.650 0 40 FHAB O=C(Nc1ccccc1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 3598373 PHJONBZGEJUKMS-UHFFFAOYSA-N 355.397 3.697 0 40 FHAB COc1ccc(C)cc1NC(=O)c1nnn(-c2c(C)cccc2C)c1C 4484277 KOAKRXBDGRYQPE-UHFFFAOYSA-N 350.422 3.762 0 40 FHAB O=C(Nc1cc2c3c(c1)CC(=O)N3CCC2)c1cccc(Br)c1 4850524 TUDHQPQRBIZHRG-UHFFFAOYSA-N 371.234 3.537 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2Cl)n1C 4860646 DAEFXMYJJXPSFV-UHFFFAOYSA-N 362.842 3.768 0 40 FHAB COc1ccc2c(C)cc(SCC(=O)NCc3ccccc3)nc2c1 5587746 ULQBJDYOASBJFG-UHFFFAOYSA-N 352.459 3.960 0 40 FHAB Cc1ccc(NC(=O)c2ccccc2I)cc1F 5702105 PBGNSHJPAHNHNF-UHFFFAOYSA-N 355.150 3.991 0 40 FHAB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1nnc(C2CC2)s1 5965689 NJWJDCKEFXLLCB-HNNXBMFYSA-N 372.494 3.507 0 40 FHAB O=C(CN1C(=O)c2cccc3cccc1c23)N[C@H]1CCCc2ccccc21 6128180 KKGUJZGERJXAJZ-IBGZPJMESA-N 356.425 3.994 0 40 FHAB Cc1nc2ccc(NC(=O)c3ccc4c(c3)NC(=O)CS4)cc2s1 6215966 ADSCNLHCMWLINW-UHFFFAOYSA-N 355.444 3.901 0 40 FHAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCc2ccccc21)c1ccco1 6586235 CIVCLQNIQAYVOT-IBGZPJMESA-N 374.440 3.600 0 40 FHAB COc1ccc(-n2ccnc(NCCc3ccc(Cl)cc3)c2=O)cc1 6915071 XNVKWPZXYQEQKZ-UHFFFAOYSA-N 355.825 3.549 0 40 FHAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1cccc2ccccc12 7015299 MNURWFDMQIHRCO-QFIPXVFZSA-N 358.397 3.570 0 40 FHAB CC[C@@H](CNC(=O)[C@H](C)Sc1nnc2n1CCCCC2)c1ccccc1 7313613 KWKVXGZBQRLWCE-HOTGVXAUSA-N 372.538 3.795 0 40 FHAB C[C@H]1C(=O)Nc2ccc(C(=O)CSc3ncnc4sccc34)cc21 7329443 GCXORVUAIJQIRJ-SECBINFHSA-N 355.444 3.722 0 40 FHAB CCC[C@H](C)C(=O)Nc1cc(OCC)c(N2CCOCC2)cc1OCC 7952315 BHCOEDIJVXDXLM-HNNXBMFYSA-N 364.486 3.695 0 40 FHAB CN(C)C(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@H](C(C)(C)C)C2 8008208 HECWMLOLDKGMAQ-AWEZNQCLSA-N 368.477 3.631 0 40 FHAB CCOc1ncccc1C(=O)O[C@@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 11480398 AVKPHHMSHNVYIC-JHMRYYBSSA-N 357.450 3.811 0 40 FHAB CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1nnnn1-c1cccc(C)c1C 11623349 MEIOJCBGKRLIDW-HOTGVXAUSA-N 373.526 3.551 0 40 FHAB CC1(C)Cc2nc(-c3cnccn3)ncc2[C@@H](NC(=O)C2CCCCC2)C1 12238843 SLFWYWHCNQRVCL-KRWDZBQOSA-N 365.481 3.644 0 40 FHAB O=C(Cc1cnc(-c2ccccc2F)s1)NCCc1ccc(O)cc1 12389425 QXCLLHFKAWFFTB-UHFFFAOYSA-N 356.422 3.556 0 40 FHAB COC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@H]1c1ccc(C)cc1 12858283 SBEDOVVHZDTUGY-KRWDZBQOSA-N 356.447 3.770 0 40 FHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 12910683 QIDQCLHDUIGVIJ-CFVMTHIKSA-N 372.387 3.539 0 40 FHAB Cc1cc(C)c(NC(=O)CCn2c(=O)n(C)c3ccccc32)c(Cl)c1 12917523 SAORVMGLDUHJBZ-UHFFFAOYSA-N 357.841 3.639 0 40 FHAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCCC1=CCCCC1 13012776 QYIRTXAIGNFXIO-GOSISDBHSA-N 364.436 3.726 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1 14001674 JNPLSOZQTHQYMG-HNNXBMFYSA-N 354.450 3.929 0 40 FHAB CCN(CC(=O)NCc1ccc(F)cc1)Cc1ncc(-c2ccccc2)o1 14094674 IEKPMEUPXAUQMO-UHFFFAOYSA-N 367.424 3.619 0 40 FHAB Cc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)n1Cc1cccs1 14240236 JLMOWEOKQHBQLL-UHFFFAOYSA-N 366.446 3.637 0 40 FHAB Cc1ccc(OCC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 14566728 WOMDVWDNVAIEGK-UHFFFAOYSA-N 352.434 3.639 0 40 FHAB CCOC(=O)C1=C(C)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1Cl 15016961 PYAFORWRAUGDMQ-AWEZNQCLSA-N 357.237 3.917 0 40 FHAB Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)Nc2nc3ccccc3n21 17073395 QMRLUIKHGPBIOZ-OAHLLOKOSA-N 354.797 3.520 0 40 FHAB COc1ccc2[nH]cc(C(=O)NC[C@H](c3ccc(C)cc3)N(C)C)c2c1 19136478 PZCYFUXOWKOKFO-HXUWFJFHSA-N 351.450 3.518 0 40 FHAB CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)CC(C)C 19446592 GCSFRKFHHOACDR-VWPQPMDRSA-N 356.510 3.818 0 40 FHAB COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)c2ccncc2)cc1OC 19561403 SOLBGGOJPPAPQI-USNOLKROSA-N 366.461 3.801 0 40 FHAB CC(=O)N[C@@H]1CN(CCC2=C(C)CCCC2(C)C)C2(CCN(C)CC2)C1 19703851 UEZGADKAJAWHHT-IBGZPJMESA-N 361.574 3.578 0 40 FHAB C[C@@H]1CCCN([C@@H](c2cccs2)c2nnnn2CCc2ccccc2)C1 20143266 XTBUYGUTNMGODQ-APWZRJJASA-N 367.522 3.799 0 40 FHAB CCc1n[nH]c(SCc2nc(N)c3c4c(sc3n2)CCCCC4)n1 22284525 VZUJAXNKZRLRLQ-UHFFFAOYSA-N 360.512 3.515 0 40 FHAB O=S(=O)(c1ccc(F)cc1F)N1CCC(Cc2ccccc2)CC1 22349113 DSIJZAOJKZZMMG-UHFFFAOYSA-N 351.418 3.608 0 40 FHAB COc1ccc(CSCC(=O)NCCSCc2ccccc2)cc1 24605875 WIFRIESBEMZPTB-UHFFFAOYSA-N 361.532 3.978 0 40 FHAB O=C(CCNC(=O)c1ccoc1)Nc1ccc(-c2ccccc2)cc1F 25125506 PQMHTJWEZGNJTJ-UHFFFAOYSA-N 352.365 3.844 0 40 FHAB CN(CCOc1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1 25988352 LWYSFJVIUUWNRM-UHFFFAOYSA-N 352.356 3.926 0 40 FHAB Cc1nn(C[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c(C)c1Br 28234627 KFVQFGZOWZOTFH-MRVPVSSYSA-N 371.666 3.586 0 40 FHAB Cc1nc(CSc2ccccc2C(=O)Nc2nc(C)c(C)s2)no1 29839464 IVPFWVVHEIDXBR-UHFFFAOYSA-N 360.464 3.996 0 40 FHAB CC[C@H](CNC(=O)CCc1cccc(OC)c1)N1CCc2ccccc2C1 29911561 JYFAVUKULSAHFR-OAQYLSRUSA-N 366.505 3.581 0 40 FHAB O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1ccc(F)cc1Cl 30175395 CPUYCCNTQWCCMN-MRXNPFEDSA-N 362.788 3.849 0 40 FHAB CC(=O)N(C)Cc1ccccc1NC(=O)c1ccccc1Br 32043897 RWFIZLKAYILYRU-UHFFFAOYSA-N 361.239 3.680 0 40 FHAB CCOCCOCc1cccc(CNC(=O)c2ccc(Cl)cc2F)c1 32372917 RITQUNUSBKLRPV-UHFFFAOYSA-N 365.832 3.962 0 40 FHAB CN(C(=O)Cc1csc(NC(=O)Cc2cccs2)n1)c1ccccc1 32642569 VTFXLSYBDCYMLB-UHFFFAOYSA-N 371.487 3.591 0 40 FHAB COc1ccc(NC(=O)Cc2csc(COc3ccccc3)n2)cc1 33326277 GADJHOPWTRLDJC-UHFFFAOYSA-N 354.431 3.912 0 40 FHAB O=C(C[C@@H](Cc1ccccc1)C(=O)O)Nc1ccc(OC(F)(F)F)cc1 35141657 ALEYKTIJKNGMHX-CYBMUJFWSA-N 367.323 3.857 0 40 FHAB Cc1ccccc1C(=O)NC1CCN(C(=O)Nc2ccccc2F)CC1 35289073 UXWUHNVBWZQCRL-UHFFFAOYSA-N 355.413 3.560 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)c2ccc(-n3ccnc3)cc2)c1 40105248 XBXGXFBBAFAWSE-UHFFFAOYSA-N 351.406 3.922 0 40 FHAB CCCN(Cc1ccc(C)cc1)C(=O)c1csc(-c2ncccn2)n1 40156683 IGUDAMWIEOUGCS-UHFFFAOYSA-N 352.463 3.961 0 40 FHAB CCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc(OC)c1 41076989 WAIFKZDKGUGHMV-UHFFFAOYSA-N 351.406 3.591 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 44846782 UKSYOOUZCJMWCU-RDJZCZTQSA-N 357.450 3.663 0 40 FHAB Cc1nccn1-c1ccccc1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1 44903079 WZJNPCZSRXIPAG-AWEZNQCLSA-N 369.852 3.918 0 40 FHAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(OCc2cccs2)cc1 48261985 HCPZNMYCXLEAOO-CYBMUJFWSA-N 370.430 3.677 0 40 FHAB O=C(/C=C\c1cc2ccccc2o1)N1CCC[C@H]1c1nnc2ccccn12 48558007 ZVKKZXNNYHIKHG-MQNTZWLQSA-N 358.401 3.852 0 40 FHAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2F)C1 50734335 OUJFBWORAKSKHG-QWHCGFSZSA-N 354.853 3.636 0 40 FHAB CC(C)C(=O)Nc1cccc(NCC(=O)NCC2(c3ccccc3)CC2)c1 50783075 ODVJWAUSTCIAPE-UHFFFAOYSA-N 365.477 3.541 0 40 FHAB O=S(=O)(c1ccc(NC[C@@H]2CCN(c3ccccc3)C2)cc1)C(F)F 52001437 BIGJVSPYBADMQL-AWEZNQCLSA-N 366.433 3.621 0 40 FHAB CN(Cc1ccc(C(F)(F)F)cc1)Cn1nc(C2CC2)n(C)c1=S 56696166 QVWRKGJGWCNUAZ-UHFFFAOYSA-N 356.417 3.937 0 40 FHAB CN(Cc1ccco1)Cc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 57218392 CSGDLLSSNIMIAE-UHFFFAOYSA-N 363.392 3.750 0 40 FHAB c1cnc(-c2nc(CNC[C@H](c3ccco3)N3CCCCC3)cs2)nc1 58108188 IUFGNBLNWONTIL-MRXNPFEDSA-N 369.494 3.510 0 40 FHAB Cc1cc(SC2CCCCC2)ccc1NC(=O)[C@@H](C)S(C)(=O)=O 58230665 ZCGDHERTAXOYSB-CYBMUJFWSA-N 355.525 3.791 0 40 FHAB Cc1c(-c2ccncc2)n[nH]c1NC(=O)CCc1nc2ccccc2s1 58246214 CEAKIPDYQUQJHD-UHFFFAOYSA-N 363.446 3.961 0 40 FHAB CCC(CC)C(=O)N1CCC(NC(=O)NCC[C@H](C)c2ccccc2)CC1 58266387 UADMCBHQTCAXKQ-KRWDZBQOSA-N 373.541 3.907 0 40 FHAB COc1cccc2cc(-c3nn4c(C(F)(F)Cl)nnc4s3)oc12 61721086 QZNXVLHACJNZSV-UHFFFAOYSA-N 356.741 3.896 0 40 FHAB COc1ccc(CNC(=O)c2csc(Nc3cccc(C)n3)n2)cc1 62022558 VFFRMBGAWQOYFR-UHFFFAOYSA-N 354.435 3.529 0 40 FHAB COc1cc(NC(=O)C2(c3ccccc3)CCC2)ccc1N1CCOC1=O 64321774 PETIPTRCIYTPGV-UHFFFAOYSA-N 366.417 3.712 0 40 FHAB C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)c2ccccc21 72098109 WCSJIRVXQRJBLK-DOMZBBRYSA-N 370.371 3.690 0 40 FHAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)NCCC1=CCCCC1 72330052 BLDXTVQFESUPRW-UHFFFAOYSA-N 355.356 3.869 0 40 FHAB O=C(CCc1nc(-c2cccc(F)c2)no1)NCc1ccc(Cl)cc1 72332159 HODVUQYZUXLTNJ-UHFFFAOYSA-N 359.788 3.778 0 40 FHAB Cc1noc(C)c1C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 84022927 VGKAQTFISWUGEW-UHFFFAOYSA-N 356.426 3.952 0 40 FHAB O=C(CNc1ncc(C(F)(F)F)cc1Cl)N1CCc2ccccc21 84582026 NWCQWFRESDXFHW-UHFFFAOYSA-N 355.747 3.755 0 40 FHAB O=C(CN1CCCC1)N1N=C(c2cccs2)C[C@H]1c1cccc(F)c1 95116598 YHBIHLOBMXURAD-KRWDZBQOSA-N 357.454 3.661 0 40 FHAB CCOc1cc(-c2n[nH]c([C@H](N)c3ccc(Cl)cc3)n2)ccc1OC 95534056 QOCASWPUAFLPSS-MRXNPFEDSA-N 358.829 3.581 0 40 FHAB Cc1csc(C(=O)NCCn2nc(-c3ccncc3)c3c2CCCC3)c1 96121439 DCCVPHMDLWHXHV-UHFFFAOYSA-N 366.490 3.624 0 40 FHAB O=C(Nc1cnn([C@H]2CCOC2)c1)C1(c2ccc(Cl)cc2)CCCC1 96123093 AJVQONRQAIXHHC-KRWDZBQOSA-N 359.857 3.948 0 40 FHAB Cc1nnnn1/C(=C/c1ccccc1)C(=O)N(C)c1ccc2ccccc2c1 96545210 NQEGRLXPZOMLML-KGENOOAVSA-N 369.428 3.796 0 40 FHAB CC(C)N(C(=S)/N=c1\sn(C)c(=S)n1-c1ccccc1)C(C)C 100370091 LSJALQBAEPYHDN-ICFOKQHNSA-N 366.581 3.911 0 40 FHAB CCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCC(C)C)c1ccccc1 223337674 MGMQLBYRMIDFFS-NRFANRHFSA-N 352.478 3.939 0 40 FHAB Cc1nc(NC(=S)NC(C)C)c(Br)cc1Br 223873353 NFGZSRWJAPDZNB-UHFFFAOYSA-N 367.110 3.610 0 40 FHAB Cc1ccc(OCCNC(=O)c2cccc(N3CCCC3=O)c2)cc1Cl 224159211 FPVCGXFPVGMUDS-UHFFFAOYSA-N 372.852 3.584 0 40 FHAB Cc1cccc(CN2CCC(C(=O)NCCOc3ccccc3C)CC2)c1 224528739 RPAJCJZZQQSKAQ-UHFFFAOYSA-N 366.505 3.711 0 40 FHAB CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)c1cccnc1 225433829 YXAMBNLIHNWQFN-UHFFFAOYSA-N 350.422 3.701 0 40 FHAB Cc1cccc(CSCCNS(=O)(=O)c2ccc(F)cc2C)c1 225592815 SERQORJRTBKKIA-UHFFFAOYSA-N 353.484 3.654 0 40 FHAB CC[C@H](NC(=S)Nc1ncccc1OC)c1ccc(OC)c(OC)c1 225721785 OOAUGLDIHOHNHX-ZDUSSCGKSA-N 361.467 3.545 0 40 FHAB COC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)COc2ccccc2)c1 225782589 DSAHNNDSXLUKTM-AWEZNQCLSA-N 358.463 3.536 0 40 FHAB CCCCC(=O)NC(=S)Nc1cc(C)ccc1-c1ccc(C(=O)O)o1 226350363 QUFASTXEGZXFDM-UHFFFAOYSA-N 360.435 3.956 0 40 FHAB CC(=O)Nc1ccc(OCC(=O)Nc2c(Cl)cccc2Cl)cc1 226823073 FAIOCGZOLXLYAX-UHFFFAOYSA-N 353.205 3.969 0 40 FHAB Cc1ncc(CN2CCO[C@@H](c3cccc(Nc4ccccn4)n3)C2)s1 257310017 UDJIWUFJASJZTB-QGZVFWFLSA-N 367.478 3.559 0 40 FHAB COc1ccc(-c2cnc3n2C[C@@H]2CN(Cc4cccs4)C[C@H]2C3)cc1 306135171 OJSVPQZBCAVOEE-SJORKVTESA-N 365.502 3.925 0 40 FHAB O=C(N1CC(N2CCc3sccc3C2)C1)C1(c2cccs2)CCCC1 390829092 WPTPZEVPEQFDSD-UHFFFAOYSA-N 372.559 3.891 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)NC[C@@H](C)c3ccccc3)CC2=O)cc1C 408706566 BOCNXIQGOAMHMQ-IEBWSBKVSA-N 350.462 3.576 0 40 FHAB Cn1ccnc1[C@@H]1OCCC[C@H]1CNc1cc(C2CCCCC2)nn1C 657397566 BJBWEDNTKYBHAH-QFBILLFUSA-N 357.502 3.781 0 40 FHAB C[C@@H](NC(=O)NCc1ccn(Cc2ccccc2)n1)c1ccc(F)cc1 1193166019 WOCDHIABIKVWNC-OAHLLOKOSA-N 352.413 3.631 0 40 FHAB O=C(CCc1cccc(Cl)c1)N1CCCN(C2CCSCC2)CC1 1888853737 AXHDQOQECPQPDS-UHFFFAOYSA-N 366.958 3.703 0 40 FHAB CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)C(C)(C)CC)cc1 987042 IZMRFIWGZVTPDV-UHFFFAOYSA-N 354.516 3.872 0 40 FHAB CN(C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)C1CCCCC1 23487964 OBDUHJHDBCMNHK-UHFFFAOYSA-N 358.869 3.955 0 40 FHAB CC(C)[C@@H](NC(=O)Nc1c(F)cccc1F)c1nc(-c2cccnc2)no1 104973509 LFYQQTHQPRTABB-CQSZACIVSA-N 373.363 3.929 0 40 FHAB CCNC(=S)N(Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O 884483 CORAKIRSAITJSV-UHFFFAOYSA-N 371.531 3.795 0 40 FHAB COCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C(F)(F)F)cc1 25067215 SXHVUKMBIPJMNE-INIZCTEOSA-N 350.340 3.918 0 40 FHAB CN(C)CCNC(=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 3171378 QEELLACPXNYTKP-NBVRZTHBSA-N 360.404 3.506 0 40 FHAB CC(C)=C1[C@H]2CC[C@@H]1[C@H](C(=O)O)[C@@H]2C(=O)NCCc1cccc(Cl)c1 4893607 RETBMQRJDXWTDX-ATLSCFEFSA-N 361.869 3.692 0 40 FHAB CCCCC(=O)Nc1nnc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)s1 4904107 SSMGBVNXPUGUEF-RYUDHWBXSA-N 370.544 3.548 0 40 FHAB CC[C@H]1CN(C(=O)Nc2ccccc2)CC[C@H]1CC(=O)NCc1ccco1 6137845 HZZGNZJNUWLKQT-IRXDYDNUSA-N 369.465 3.866 0 40 FHAB biogenic,in-vitro CCCCc1ccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1 6766475 UZLWTFMYLVPQJE-UHFFFAOYSA-N 372.490 3.604 0 40 FHAB O=C(CCSc1ccc(Cl)cc1)OCC(=O)N1CCCCCC1 6997200 BIGNFPRXOGDKAF-UHFFFAOYSA-N 355.887 3.768 0 40 FHAB C[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 7326791 HCZSMMNLBTXRTH-NSHDSACASA-N 368.911 3.791 0 40 FHAB CCn1c(C)cc(C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)c1C 56248012 RKNYWQGRWOTTFH-UHFFFAOYSA-N 368.481 3.551 0 40 FHAB O=C(c1ccc2ccccc2n1)N1CCN(c2cccc(Cl)c2)CC1 26530180 VOUAOMXJMRFLTH-UHFFFAOYSA-N 351.837 3.851 0 40 FHAB Cc1ccc(C(=O)Nc2cccc3ccccc23)cc1NS(C)(=O)=O 10314385 ACRRRYQPRRMWLM-UHFFFAOYSA-N 354.431 3.772 0 40 FHAB O=C(NCCNC(=O)c1ccccc1F)Nc1cccc2ccccc12 58033161 WJHDXEVWBBXLHA-UHFFFAOYSA-N 351.381 3.530 0 40 FHAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NC1CCCC1 2094749 GOGQMDMRYZIENY-UHFFFAOYSA-N 363.413 3.898 0 40 FHAB biogenic CCCCS[C@@H](C)C(=O)N1CCC(C(=O)Nc2nc(C)cs2)CC1 58162506 GUSAMRMMYGPDEZ-ZDUSSCGKSA-N 369.556 3.550 0 40 FHAB Cc1noc(C)c1CC(=O)NC1(c2cccc(Br)c2)CCC1 58201960 UKPPMWDWBDFTIO-UHFFFAOYSA-N 363.255 3.792 0 40 FHAB CC(C)[C@H]1CCc2ccccc2N1C(=O)c1ccc2c(c1)C(=O)N(C)C2=O 84456609 SEJVHLHQGKUKPK-GOSISDBHSA-N 362.429 3.530 0 40 FHAB CC(C)Oc1ccc(CNC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cn1 58441445 ZMTKNFVGHVTBTL-UHFFFAOYSA-N 370.840 3.842 0 40 FHAB Cc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc(C)c1O 12555565 LKHZNMQPAYRRRQ-OXJNMPFZSA-N 352.434 3.755 0 40 FHAB CC[C@H](NC(=O)c1cc(S(C)(=O)=O)ccc1C)c1ccc(Cl)cc1 10918196 XIZLOIURFIUDKI-KRWDZBQOSA-N 365.882 3.933 0 40 FHAB Cc1nc(NC(=O)[C@@H]2COc3ccccc3O2)sc1Cc1ccccc1 36639674 AMUCKTYNEVNMGD-KRWDZBQOSA-N 366.442 3.821 0 40 FHAB CC(C)CCNC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12 2415120 KMGYVDRNXONJFX-UHFFFAOYSA-N 353.470 3.599 0 40 FHAB O=C(CCN1CCC[C@@H](NCc2ccccc2)C1)Nc1ccccc1Cl 84539307 RNBGUSIGUDCJLR-GOSISDBHSA-N 371.912 3.923 0 40 FHAB CC(C)c1ccc(SCCN2C(=O)c3ccccc3S2(=O)=O)cc1 27683433 QYAFYZJAUKEWRJ-UHFFFAOYSA-N 361.488 3.747 0 40 FHAB O=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)NCc1cccs1 84564767 NTJFQKIIKJIWMU-UHFFFAOYSA-N 374.469 3.990 0 40 FHAB CCn1c(SCC(=O)N[C@H]2CCOc3ccccc32)nc2ccccc21 12602951 BQKMXWHSUYAMPO-HNNXBMFYSA-N 367.474 3.788 0 40 FHAB C[C@H]1CN(c2ccc(NC(=O)c3cccnc3Cl)cc2F)C[C@H](C)O1 95351284 PBXDIGFWZPUHDN-RYUDHWBXSA-N 363.820 3.740 0 40 FHAB CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)cc1Cl 22540377 QYETZNVAWDZHKY-LLVKDONJSA-N 357.834 3.917 0 40 FHAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc2c1C(=O)NC2 12789904 CYKLOQIIOUTWCY-UHFFFAOYSA-N 367.792 3.799 0 40 FHAB Cc1cccc(C)c1NC(=O)C1(N(C)C(=O)c2cnccn2)CCCCC1 3625558 VEWMKTSGCDWCMM-UHFFFAOYSA-N 366.465 3.507 0 40 FHAB Cc1cc(C)cc(-n2cc(C(=O)NCc3cccc(C(F)(F)F)c3)nn2)c1 71326412 CCEBBIKWUBCYAE-UHFFFAOYSA-N 374.366 3.833 0 40 FHAB O=C(N[C@@H](Cc1ccccc1Cl)c1ccccc1)N1CCC[C@H](O)C1 63405025 YMPXRBFFGUSORX-HKUYNNGSSA-N 358.869 3.790 0 40 FHAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCc3ccco3)c(C)c12 4090006 FYZHBSAMYYGAEZ-UHFFFAOYSA-N 365.385 3.916 0 40 FHAB biogenic COc1ccc2nc(S[C@@H](C)C(=O)Nc3ccc(Cl)cn3)[nH]c2c1 4273696 SDGUYNAIKAIHKO-VIFPVBQESA-N 362.842 3.739 0 40 FHAB CC(C)Oc1ccc(-c2nc3c4c5c(sc4nc(O)n3n2)CCC5)cc1 13731608 XXVOHSPMLIOAKD-UHFFFAOYSA-N 366.446 3.988 0 40 FHAB COc1ccc(-c2nc3c4cnn(-c5cc(C)ccc5C)c4ncn3n2)cc1 5203737 WOCXUSPTDSQTED-UHFFFAOYSA-N 370.416 3.756 0 40 FHAB COc1ccc2c(c1)N(C(=O)c1ccc(-n3cc(C)cn3)cc1)C[C@@H](C)O2 172714100 MDLCZMDRWAIEMV-OAHLLOKOSA-N 363.417 3.617 0 40 FHAB Cc1ccc([C@@H](CC(=O)NCCCN(C)C)[C@H]2CCOC(C)(C)C2)cc1 5348413 KFXGNULOTVUHLH-VQTJNVASSA-N 360.542 3.742 0 40 FHAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccccc1F 14240594 CJYQNRJPMHMFJX-UHFFFAOYSA-N 357.410 3.524 0 40 FHAB Cc1csc2nc(CSc3nccn3Cc3ccccc3)cc(=O)n12 6657691 OHZIFXUNQHXHFI-UHFFFAOYSA-N 368.487 3.602 0 40 FHAB Cc1cc(NS(=O)(=O)/C=C/c2ccccc2)n(Cc2ccccc2)n1 66250961 BKQCAUKMGLYMIH-OUKQBFOZSA-N 353.447 3.652 0 40 FHAB CCOc1cc(C(=O)O)c(NC(=O)c2ccccc2SC)cc1OC 7002328 AVTYVYRFNKTXNH-UHFFFAOYSA-N 361.419 3.766 0 40 FHAB C[C@H]1CCc2ccccc2N1C(=O)CSc1nnc(NC2CC2)s1 9513978 UQXKDDRPQCBMEY-NSHDSACASA-N 360.508 3.572 0 40 FHAB CC(C)C(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 9514892 QXBBEJMXONXVDX-UHFFFAOYSA-N 360.461 3.601 0 40 FHAB CCn1nc(C)c(CN(C)C(=O)c2c(C)nn(-c3ccccc3)c2C)c1C 28235441 BKNFUTYWOFPYFQ-UHFFFAOYSA-N 365.481 3.595 0 40 FHAB Cc1ccc(Cl)c(OCC(=O)Nc2ccc(N3CCCC3=O)cc2)c1 7640524 AZLQICGQWDKMAH-UHFFFAOYSA-N 358.825 3.793 0 40 FHAB Cc1cc(NC(=O)COC(=O)c2cc3c(s2)-c2ccccc2CC3)no1 7787020 JTGMAYDTTSLUFA-UHFFFAOYSA-N 368.414 3.606 0 40 FHAB CC(=O)c1c(C)cc(C)c(COC(=O)C2CCN(C(=O)C3CC3)CC2)c1C 25167612 IEBYOQXDZYJSNW-UHFFFAOYSA-N 371.477 3.506 0 40 FHAB O=C(CC1CCN(Cc2coc(-c3cccs3)n2)CC1)N1CCCC1 71952369 JFINCYFNETXFAQ-UHFFFAOYSA-N 359.495 3.628 0 40 FHAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccccc1Nc1ccccc1 8163437 PXNVHKMKSNLIDX-UHFFFAOYSA-N 370.412 3.779 0 40 FHAB COC(=O)C[C@@H](Cc1ccccc1)NC(=O)Nc1cccc2cnccc12 72311291 XCGRCTLDMLARMT-QGZVFWFLSA-N 363.417 3.531 0 40 FHAB Cc1c(NC(=O)NCC[C@@H]2CCCO2)cccc1NC(=O)c1ccccc1 69459959 PREOTLATSVNAEH-KRWDZBQOSA-N 367.449 3.938 0 40 FHAB COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NC(C)C)c1 17300314 CXARHTQIYHEMMZ-UHFFFAOYSA-N 365.433 3.695 0 40 FHAB O=C1S/C(=C\c2ccccn2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 18093461 QZVGJUWQGSNHFH-UUASQNMZSA-N 374.805 3.700 0 40 FHAB CCOC(=O)Nc1cccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)c1 8750107 MCHRXBGKGAJDDX-UHFFFAOYSA-N 363.417 3.935 0 40 FHAB CC[C@@H]1CCCCN1C(=O)CSc1nncn1-c1ccc(C)cc1C 8709019 MBXKLTQHESFCSV-MRXNPFEDSA-N 358.511 3.767 0 40 FHAB CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc(C)c4)ccc1c23 8715475 NOUSDFARGPUMNO-UHFFFAOYSA-N 366.442 3.929 0 40 FHAB NC(=O)CSc1ccccc1NC(=O)c1cc2c(s1)CCCCC2 8987209 NVZKWOGVSSDKBW-UHFFFAOYSA-N 360.504 3.847 0 40 FHAB Cc1[nH]nc(O)c1C(c1c(Cl)cccc1Cl)c1c(O)n[nH]c1C 409005341 VBHNFYGMINKPDU-UHFFFAOYSA-N 353.209 3.648 0 40 FHAB CCn1nc(C)c(CNC(=O)c2ccc(-c3cccs3)nc2C)c1C 66478080 BNXRJQNIGNAZST-UHFFFAOYSA-N 354.479 3.882 0 40 FHAB CCNC(=O)c1cc(S(=O)(=O)Nc2c(C)cccc2C(C)C)ccc1C 408610828 WBRNRIHHXRFLBO-UHFFFAOYSA-N 374.506 3.977 0 40 FHAB CC(C)[C@@H](NC(=O)c1cnn2c1OCCC2)c1cccc(C(F)(F)F)c1 550110139 KKSKZYYAWKBOPA-OAHLLOKOSA-N 367.371 3.812 0 40 FHAB O=C(Cc1csc(-c2ccccc2)n1)N1CC[C@]2(O)CCCC[C@@H]2C1 75906119 KYNSHKBJKIYDAD-OXQOHEQNSA-N 356.491 3.506 0 40 FHAB O=C(CSCc1cc(=O)c2cccc(F)c2[nH]1)Nc1ccc(F)cc1 33063833 CYAOBBRHAYMKHK-UHFFFAOYSA-N 360.385 3.678 0 40 FHAB Cc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)[C@@H]4C[C@@H]4C)C3)noc2n1 72390233 MBYJENLOSVXTAX-MVWJERBFSA-N 367.371 3.912 0 40 FHAB CC(C)c1ccc(OCC(=O)N(C)Cc2nc(-c3cccs3)no2)cc1 218963863 VEUZLBDUSNNQGX-UHFFFAOYSA-N 371.462 3.959 0 40 FHAB NC(=O)c1cccc(-c2nccnc2[C@H]2CCCN(C3CCCCC3)C2)c1 72358341 ONHWJZLTQAWGQN-SFHVURJKSA-N 364.493 3.755 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1 222890099 IUMYWYGVOOIUKT-MRXNPFEDSA-N 372.896 3.826 0 40 FHAB CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 46544695 TUZBYXUUCZZIRW-QGZVFWFLSA-N 366.461 3.812 0 40 FHAB O=C(NCc1cccc(Cl)c1)c1n[nH]nc1Nc1cccc(Cl)c1 48990893 BJVNYXNFVOZFMA-UHFFFAOYSA-N 362.220 3.785 0 40 FHAB Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(N)cc2)cc1 225312789 YCFQTYRYRHMIPB-UHFFFAOYSA-N 352.459 3.973 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCOc1cc(C)ccc1C 224025251 FZTDOMHXONDBIT-IBGZPJMESA-N 357.450 3.665 0 40 FHAB CCOC(=O)c1cc(NC(=O)C(Cl)(Cl)Cl)ccc1OC(C)C 225783658 MEYBXLNSBLZJTR-UHFFFAOYSA-N 368.644 3.959 0 40 FHAB CCOc1ccc(NC(=S)N[C@@H](C)COc2ccc(OC)cc2)cc1 225264736 CURMFNZYYQVBAJ-AWEZNQCLSA-N 360.479 3.848 0 40 FHAB CC[C@@H](NC(=S)Nc1ccc(C)cc1)c1ccc(S(C)(=O)=O)cc1 225721957 PNJKANDPMUVGIW-QGZVFWFLSA-N 362.520 3.836 0 40 FHAB CC[C@H](NC(=S)Nc1cccc(C(=O)OC)c1)c1ccc(OC)cc1 225489351 LPXZICXQIPOVOX-KRWDZBQOSA-N 358.463 3.920 0 40 FHAB CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 501232283 KMEHFLMLGLDKRG-MRXNPFEDSA-N 362.433 3.541 0 40 FHAB Cc1cc(C(=O)N[C@H](C)c2c(-c3ccc(F)cc3)noc2C(=O)O)c(C)o1 96296863 DJBTVOONTHGDRV-SNVBAGLBSA-N 372.352 3.880 0 40 FHAB biogenic,in-vitro Cc1ccc(CN2CCC3(CC2)CO[C@@H](COCc2ccncc2)C3)o1 96218326 RROSHTNXBXKDJW-HXUWFJFHSA-N 356.466 3.571 0 40 FHAB Cc1cccc(CN2CCC(F)(F)[C@]3(CCN(c4cccnc4)C3)C2)n1 96239566 UHLYBTAAYWKNNY-LJQANCHMSA-N 358.436 3.523 0 40 FHAB O=Cc1c(Br)cccc1N1CCN(Cc2ccccc2)CC1 95080978 MXLOYLVWYQWCPP-UHFFFAOYSA-N 359.267 3.584 0 40 FHAB O=C(CC1(n2cccc2)CCCCC1)Nc1nnc([C@H]2CCCO2)s1 95473171 QCLCZBNOIIYJOK-CQSZACIVSA-N 360.483 3.879 0 40 FHAB COc1cccc(Cc2cnc([C@@H]3CCCN3c3ccnc(C)n3)o2)c1 257311764 UKWVYVPBUYQDCW-SFHVURJKSA-N 350.422 3.714 0 40 FHAB Cc1cncc(CO[C@@H]2CCOC3(C2)CN(C(=O)CC2=CCCCC2)C3)c1 253604151 QWBYAFUDINYBHE-HXUWFJFHSA-N 370.493 3.557 0 40 FHAB CC(=O)N[C@@H]1C[C@H](c2c(Cl)cccc2Cl)OC2(CCOCC2)C1 257323849 WMBNVZSQPOQRTL-IUODEOHRSA-N 358.265 3.899 0 40 FHAB COc1cccc2cc(C(=O)NC[C@H](c3ccsc3)N3CCC3)oc12 252535987 HJVFZNHZJWHZPK-OAHLLOKOSA-N 356.447 3.680 0 40 FHAB CN(C)c1nc([C@H]2CCCCN2C(=O)Cc2cccs2)cn2cccc12 257211431 BYVBGGCDUVYFBZ-QGZVFWFLSA-N 368.506 3.758 0 40 FHAB CCOCc1ccc(NC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc1 467950087 UMUVAKRVKRWAFK-FQEVSTJZSA-N 367.493 3.867 0 40 FHAB Cc1cccc(OC[C@@H]2CCCN(C(=O)CCc3ccccc3F)C2)n1 1775996207 ANRMGVLVPKWKBW-QGZVFWFLSA-N 356.441 3.779 0 40 FHAB O=C(OCc1ccc(Cl)s1)[C@H]1CCCCN1C(=O)c1ccco1 52389169 HVZVCEFEOXIICO-GFCCVEGCSA-N 353.827 3.733 0 40 FHAB O=C1N/C(=C/c2cccn2-c2ccccc2)C(=O)N1Cc1ccc(F)cc1 4140889 UHPLYHSPQVSQMI-CPNJWEJPSA-N 361.376 3.709 0 40 FHAB CCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2C)c1 5574240 ICBRCTVMLMOSOG-QGZVFWFLSA-N 353.349 3.506 0 40 FHAB COc1ccc(-c2c(C)nn3c(NC[C@@H]4CCCO4)cc(C)nc23)cc1 12113314 XDJUOUXVDMNKPM-KRWDZBQOSA-N 352.438 3.613 0 40 FHAB COc1ccc(CN(Cc2cccc(C)n2)C[C@H]2CCCO2)c(OC)c1 12118237 UERAUDMGODVSFF-HXUWFJFHSA-N 356.466 3.588 0 40 FHAB COc1ccc([C@@H]2[C@@H](NCC3=CCCOC3)[C@@H]3CCCC[C@H]32)cc1OC 12329299 WWULQMSBMWWTIV-UBBRYJJRSA-N 357.494 3.912 0 40 FHAB COC(=O)[C@@H](Cc1ccccc1)c1cc(=O)oc2c(C)c(OC)ccc12 12898638 YKDPSSSFRMWCHC-KRWDZBQOSA-N 352.386 3.609 0 40 FHAB biogenic O=C(NCc1ccccc1CN1CCCC1)c1ccc(Br)cc1 12908978 GBLZCRDKURIVJX-UHFFFAOYSA-N 373.294 3.975 0 40 FHAB CC(C)Cc1cc(-c2nn3c(-c4ccc(N(C)C)cc4)nnc3s2)n[nH]1 13551332 XOSPYFPGRPHDPN-UHFFFAOYSA-N 367.482 3.507 0 40 FHAB COC(=O)c1ccc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 13680266 OZGHHOHRGZOBQL-UHFFFAOYSA-N 374.245 3.722 0 40 FHAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 14001683 SHNFXMZMUYCVNT-OAHLLOKOSA-N 354.450 3.929 0 40 FHAB Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)/C=C/c1cccs1 14404718 FJYVKASYLUDFSQ-MDZDMXLPSA-N 366.446 3.992 0 40 FHAB C=C(c1ccc(N2CCOCC2)s1)c1ccc(N2CCOCC2)s1 16138230 ADDZVNSXQGMKHO-UHFFFAOYSA-N 362.520 3.544 0 40 FHAB Cc1c(C)n(C)c2ccc(NC(=O)c3cc(C(C)C)nc4ncnn34)cc12 19554636 KHGFQGUKGYEOTJ-UHFFFAOYSA-N 362.437 3.609 0 40 FHAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)C(C)C)CC2)n1 100148331 VGAXZZMBJXMVKJ-CALCHBBNSA-N 352.482 3.893 0 40 FHAB COc1cccc(OC)c1CN1CCC[C@H]2NC[C@H](c3ccc(F)cc3)[C@H]21 19567092 JMZWTSIAFBBIGP-SFGWALBWSA-N 370.468 3.563 0 40 FHAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ncc(-c2ccc(F)cc2)n1C 19661397 VYNFDRXVGCPGIY-GFCCVEGCSA-N 357.360 3.771 0 40 FHAB CCc1nc2ccccc2c(C(=O)OCC(=O)N(C(C)C)C(C)C)c1C 3303868 KUMIQTVDCNPZIH-UHFFFAOYSA-N 356.466 3.908 0 40 FHAB Cn1cc(-c2ccc(CCNC(=O)c3ccc4ncsc4c3)cc2)cn1 1889277227 HJOXIIQEHCXPPZ-UHFFFAOYSA-N 362.458 3.669 0 40 FHAB Cc1sc(-n2cccc2)c(C(=O)NC[C@H]2COc3ccccc3O2)c1C 25465594 WJDIYJSEYSVBGC-HNNXBMFYSA-N 368.458 3.725 0 40 FHAB Cc1ccc(O[C@@H]2CCN(C(=O)c3cc(Cl)ccc3Cl)C2)nc1 238879383 OWHXGGGPJYHZNN-CYBMUJFWSA-N 351.233 3.990 0 40 FHAB Cc1cc(Nc2nccs2)nc([C@H]2CCN(C(=O)c3ccccc3)C2)n1 2037836044 NHQXEYOIFUAKLK-HNNXBMFYSA-N 365.462 3.615 0 40 FHAB O[C@@]1(c2ccc(Br)cc2)CN(c2ccccc2)C2=[N+]1CCCC2 2966148 HHAFHWTVFOUYQC-LJQANCHMSA-N 372.286 3.709 0 40 FHAB CCCn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2ccccc21 4193380 PFWJJTJXXFCRHF-UHFFFAOYSA-N 361.850 3.898 0 40 FHAB Cc1cccc(NC(=O)NCCOc2ccc(-c3cccs3)nn2)c1 11694492 FIYIBZDAWIDRBC-UHFFFAOYSA-N 354.435 3.714 0 40 FHAB CCOc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccc(F)cc2)c1 15882942 CCXVHBYFRNMQAS-UHFFFAOYSA-N 366.392 3.687 0 40 FHAB O=C(c1cccc(Cl)c1)N1CCC[C@]2(CCN(c3ccccc3)C2=O)C1 2055835592 PFXTYTVNVWQKOB-NRFANRHFSA-N 368.864 3.999 0 40 FHAB Cc1cc(C)c(S(=O)(=O)NCC2CCN(C3CCCC3)CC2)cc1C 23127602 GHIQXASXSVSOIT-UHFFFAOYSA-N 364.555 3.545 0 40 FHAB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)CC(F)(F)F)C2)n1 220815616 ZYKRPHJKHLWITN-ZDUSSCGKSA-N 367.371 3.779 0 40 FHAB O=C(Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1)NCC(F)(F)F 44035388 ROWLTGQTDHSLAL-UHFFFAOYSA-N 370.758 3.813 0 40 FHAB O=C(Nc1ccccc1O)c1cc2cc(Br)ccc2oc1=O 831014 GFLPRZCKCOIMMJ-UHFFFAOYSA-N 360.163 3.513 0 40 FHAB CC(C)c1csc(NC(=O)c2ccc(OCc3nccn3C)cc2)n1 40119805 PCAHKQZCXOQPCD-UHFFFAOYSA-N 356.451 3.831 0 40 FHAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 102439526 HERQIAJKGCAMKP-VLIVSTDHSA-N 359.731 3.820 0 40 FHAB O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)C1=COCCO1 32837032 DBMWPMOXPIILAP-UHFFFAOYSA-N 361.344 3.706 0 40 FHAB O=C(NCc1ccc(OCc2cccnc2)cc1)c1cc(F)ccc1F 32930334 DQIHPPFLKCHXIN-UHFFFAOYSA-N 354.356 3.869 0 40 FHAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1(C)C 22186372 UVSPMORNQVUPDX-OALUTQOASA-N 354.494 3.646 0 40 FHAB CCN(Cc1cccs1)S(=O)(=O)c1ccccc1Br 22276744 IYHBQHPSFNDUON-UHFFFAOYSA-N 360.298 3.721 0 40 FHAB CCc1nnsc1C(=O)Nc1ccc(Oc2ccc(C)cc2OC)nc1 41948481 UCPMEKDHBFXBPS-UHFFFAOYSA-N 370.434 3.857 0 40 FHAB Cc1ccc(Cn2cccc/c2=N\C(=O)c2ccnc(NC3CC3)c2)cc1 104109610 RRJLPOFINKQNIE-NJNXFGOHSA-N 358.445 3.555 0 40 FHAB Cc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 790059 OGVCQGNYKZHPKG-UHFFFAOYSA-N 372.490 3.730 0 40 FHAB CC(C)c1cccc(-n2cc(O)c(C(=O)NCCc3cccs3)n2)c1 78875609 UBVZSPDINIVJCY-UHFFFAOYSA-N 355.463 3.735 0 40 FHAB C[C@@H](Sc1ccccn1)C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 79060141 UPHASLQFSHKJJL-YGRLFVJLSA-N 371.289 3.719 0 40 FHAB Fc1ccccc1N1CCN(C2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)CC1 1154791 LVVWIRQWTFKIOR-HSALFYBXSA-N 369.528 3.624 0 40 FHAB Cc1cc(C)n2nc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)nc2n1 3449536 TWNFIRCCVICXNH-UHFFFAOYSA-N 369.734 3.666 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccc2c(c1)OCCO2 4926048 CICPKRDLGKMZSR-CYBMUJFWSA-N 365.385 3.676 0 40 FHAB O=C(NCCN(C(=O)c1cccs1)c1ccccc1)c1cccs1 6927507 YBNQAODMEPHFFV-UHFFFAOYSA-N 356.472 3.886 0 40 FHAB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccco1 6947879 PHWMPMBKLPVXDM-VCHYOVAHSA-N 360.211 3.587 0 40 FHAB O=C(Cc1ccccc1)Nc1nc2sc3c(c2c(=O)s1)CCCC3 1462606 DQOOHUJUFYJTRR-UHFFFAOYSA-N 356.472 3.778 0 40 FHAB CN(Cc1nc2ccccc2s1)S(=O)(=O)c1ccc(Cl)cc1 8058514 RDVMHDRFVFRRAI-UHFFFAOYSA-N 352.868 3.770 0 40 FHAB CCn1nnnc1NCc1cc(Cl)ccc1OCc1ccccc1F 8339974 GSWSGTDPSMHNOA-UHFFFAOYSA-N 361.808 3.677 0 40 FHAB CC(C)c1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1C 26099673 QASMXMKCKTTZGU-UHFFFAOYSA-N 373.503 3.849 0 40 FHAB O=C(CSCc1csc(-c2cccs2)n1)NCC(F)(F)F 12552490 NZKKZQYLSUBDNC-UHFFFAOYSA-N 352.428 3.783 0 40 FHAB CC(C)c1nccn1Cc1cccc(NC(=O)NCC[C@H]2CCCO2)c1 58087479 CDBRMMIHWQPZDS-GOSISDBHSA-N 356.470 3.745 0 40 FHAB Cc1c(CCC(=O)O)c(=O)oc2cc(OCc3cccc(F)c3)ccc12 2093855 KBOOKDQRFNJQTK-UHFFFAOYSA-N 356.349 3.837 0 40 FHAB biogenic Cc1ccccc1NC(=O)C[C@@H]1SC(=O)N(Cc2ccccc2)C1=O 10152164 BQGOKCINFMFZKL-INIZCTEOSA-N 354.431 3.588 0 40 FHAB CCOC(=O)c1cccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c1C 10112280 HIEPOFQGSXWYIV-UHFFFAOYSA-N 361.463 3.898 0 40 FHAB NC(=O)Cc1ccc(NC(=O)N[C@@H](c2cccs2)C2CCCC2)cc1 58157437 OZISXYVNWMMWRB-GOSISDBHSA-N 357.479 3.829 0 40 FHAB C[C@@H](CC(=O)Nc1ccn(CCc2ccncc2)n1)c1ccc(F)cc1 58197232 RZOGHDOQRYEDEP-HNNXBMFYSA-N 352.413 3.792 0 40 FHAB C[C@H]1CCC[C@@H](C)N(C(=O)c2oc3ccccc3c2CS(C)(=O)=O)C1 97002786 LVRNOGNEALWINF-UONOGXRCSA-N 363.479 3.628 0 40 FHAB CCc1nnc(O)c(-c2nc(-c3c[nH]c4ncccc34)cs2)c1CC 95462138 TWEMSKKCJJUVJV-UHFFFAOYSA-N 351.435 3.974 0 40 FHAB CC(C)c1ncc(CN2[C@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)cn1 100763536 QJUBGUASLAHJGG-OALUTQOASA-N 355.457 3.754 0 40 FHAB Cc1cc(N2CCCC2)ccc1NC(=O)CN(C[C@@H](C)O)C1CCCCC1 58267589 MYQIFHUZNZRRRE-GOSISDBHSA-N 373.541 3.549 0 40 FHAB CC(=O)Nc1cccc([C@H](C)NC(=O)N2CC[C@@H](c3ccccc3)C2)c1 58226451 MYNAFFHRPDBVSQ-HNAYVOBHSA-N 351.450 3.905 0 40 FHAB CCC(CC)C(=O)N1CCC(NC(=O)NCC[C@@H](C)c2ccccc2)CC1 58266386 UADMCBHQTCAXKQ-QGZVFWFLSA-N 373.541 3.907 0 40 FHAB CCOC(=O)[C@@](NC(=O)CC)(Nc1ccc(C(C)C)cc1)C(F)(F)F 2275311 MVJFMSVQPNFFSC-INIZCTEOSA-N 360.376 3.570 0 40 FHAB CO[C@@H]1[C@H](C)[C@H](NC(=O)c2ccccc2SC[C@@H]2CCCO2)C1(C)C 97034080 URIMOKMUEVATAE-IDCJVQTKSA-N 363.523 3.747 0 40 FHAB C/C(=C/c1ccccc1)[C@@H](O)C(=O)c1nc2ccc(Cl)cc2nc1O 104291139 HSSPPEBUFOKZNP-FPISAVPCSA-N 354.793 3.636 0 40 FHAB CC(=O)c1c(C)cc(C)c(CS(=O)(=O)Cc2cn3ccccc3n2)c1C 58630086 JJXHRSMIEDYOGG-UHFFFAOYSA-N 370.474 3.577 0 40 FHAB COc1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1C 2349750 CNZFKMXIRVXMQL-UHFFFAOYSA-N 368.462 3.530 0 40 FHAB CCc1c(C)c2ccc(OCC(=O)Nc3cccc(C)c3)cc2oc1=O 2315343 YAXJBYPSKIPVCB-UHFFFAOYSA-N 351.402 3.990 0 40 FHAB O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc(NC[C@H]3CCCO3)ncc21 2444663 WFCGOGAFMYDIAT-DZGCQCFKSA-N 357.841 3.634 0 40 FHAB O=C(/C=C/c1cccc(Br)c1)Nc1ccc(-n2cccn2)nc1 29196331 OLLVFVQVOJZTPU-VMPITWQZSA-N 369.222 3.682 0 40 FHAB O=C1C[C@@H](Nc2ccc(F)cc2)C(=O)N1c1cccc(Cl)c1Cl 101277070 ANQJWJPVHYLCRZ-GFCCVEGCSA-N 353.180 3.877 0 40 FHAB Cc1cccc(NC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)n1 47296430 JFMGQFRSTYRPRU-AWEZNQCLSA-N 352.463 3.855 0 40 FHAB Cc1noc(C)c1CSc1nnc(CN2CCCC2)n1-c1ccccc1 12606213 CJMQJDNINNVFJX-UHFFFAOYSA-N 369.494 3.760 0 40 FHAB Cc1cc2oc(=O)cc(CN3C(=O)N[C@@](C)(CCC(C)C)C3=O)c2cc1C 3314607 VHGGDONXJSTPIO-NRFANRHFSA-N 370.449 3.657 0 40 FHAB COCc1c(C(=O)NCc2nc(C)cs2)sc2cccc(F)c12 21482750 NVFPGTFYGFHIBE-UHFFFAOYSA-N 350.440 3.882 0 40 FHAB COc1cc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)ccc1C 12824881 RUFVTXGBYCCNOO-UHFFFAOYSA-N 355.419 3.824 0 40 FHAB Cc1cccnc1NC(=O)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 23142600 XKNNWFRRFOSLDB-GOSISDBHSA-N 373.460 3.702 0 40 FHAB O=S(=O)(NC1(c2ccccc2)CCC1)c1cccc(Br)c1 12948052 WYLSWRBHHULYHG-UHFFFAOYSA-N 366.280 3.807 0 40 FHAB Cn1c([C@@H]2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21 4033461 WRBVKLPIDMNPJE-GFCCVEGCSA-N 370.250 3.856 0 40 FHAB CCOc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)O[C@@H]1CCC[C@@H]1C 4084007 FUPVHRSUYOBPNS-PNPHSEOMSA-N 374.506 3.610 0 40 FHAB COc1ccccc1[C@@H](C)NCC(=O)N(Cc1ccco1)CC(F)(F)F 49590365 IUBZIBIHDUTHTE-CYBMUJFWSA-N 370.371 3.530 0 40 FHAB Cc1cc(C)c(NC(=O)Cn2c(C)nc3cc4c(cc32)OCCO4)c(C)c1 64794941 CWOXMCGHGHBNSA-UHFFFAOYSA-N 365.433 3.680 0 40 FHAB CC[C@H](C)c1ccccc1OCC(=O)N1CCCc2c(C(N)=O)cccc21 49734891 FGNBPLFPRJCIMX-HNNXBMFYSA-N 366.461 3.657 0 40 FHAB CCOc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)no2)cc1 32623954 JAMPWHFLADGYQE-GFCCVEGCSA-N 371.368 3.680 0 40 FHAB COc1cc(OC)cc(C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)c1 6302200 MJMNAYPIBPPBMX-UHFFFAOYSA-N 368.385 3.784 0 40 FHAB CCCCc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)OC)cc1 5347328 OQFSLKDVNHTJDD-IBGZPJMESA-N 354.450 3.935 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nn1cnc2ccccc21 14196438 IBSYCHXSYDNOGQ-SNVBAGLBSA-N 350.205 3.881 0 40 FHAB CS(=O)(=O)NCCc1ccc(-c2csc(Nc3ccccc3)n2)cc1 14102729 JOLIUXOPLYKICB-UHFFFAOYSA-N 373.503 3.645 0 40 FHAB O=C(Nc1nonc1-c1cccs1)c1ccc(Br)cc1 5486916 VORURADCPDCNJZ-UHFFFAOYSA-N 350.197 3.813 0 40 FHAB COc1cc(NC(=O)Cc2ccc(Br)cc2)cc(OC)c1 6542100 LEGKANZYPSXKJG-UHFFFAOYSA-N 350.212 3.648 0 40 FHAB Fc1ccc(N2CC[C@H](CNC(=S)NC3CCCCC3)C2)cc1F 66011963 NIDRXLBVKOWTCJ-CYBMUJFWSA-N 353.482 3.588 0 40 FHAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O 4648645 GUONJQXIFSKFGD-MHWRWJLKSA-N 355.415 3.828 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1nonc1-c1ccc(F)cc1 6719683 MPKZTXQQFBMXTL-AWEZNQCLSA-N 359.332 3.811 0 40 FHAB Cc1sc(NC(=O)[C@@H](C)Oc2ccccc2Cl)c(C(N)=O)c1C 4943294 WWCQDXAULKGWPD-SECBINFHSA-N 352.843 3.523 0 40 FHAB CC(C)N(C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CC1)C(C)C 7042290 NXQKLIQWBUDFFL-CQSZACIVSA-N 373.522 3.857 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1cccc(NC(C)=O)c1 7224528 HCXXFSXYSFMWGR-LLVKDONJSA-N 361.829 3.746 0 40 FHAB CCCCOc1ccc(C(=O)OCC(=O)Nc2c(F)cccc2F)cc1 7748684 OHMLAFOLCQJGKU-UHFFFAOYSA-N 363.360 3.939 0 40 FHAB NC(=O)N[C@@H](CC(=O)N[C@H]1CCCc2ccccc21)c1ccc(Cl)cc1 8076540 IHXMXAQEEFDECF-ROUUACIJSA-N 371.868 3.633 0 40 FHAB COc1ccc2cc(C(=O)NC[C@@H](c3ccccc3)N(C)C)c(C)nc2c1 16600049 BISKBOBQODJTQG-NRFANRHFSA-N 363.461 3.585 0 40 FHAB Cc1csc2nc(CN(Cc3ccco3)Cc3cccs3)cc(=O)n12 8266854 KJUHKHZIWFBUPX-UHFFFAOYSA-N 371.487 3.921 0 40 FHAB O[C@@H](COc1ccccc1)CSc1nnc2c(Cl)cc(Cl)cn12 24100354 AOSCTBRXPKFHKC-NSHDSACASA-N 370.261 3.568 0 40 FHAB Cc1sc2nc(CN3CCCC3)nc(-n3nnc4ccccc43)c2c1C 8325628 CQDHVDXKSVQIHM-UHFFFAOYSA-N 364.478 3.638 0 40 FHAB O=C(NC1CC1)[C@H](Sc1nncn1-c1ccccc1)c1ccc(F)cc1 8708590 JMIOYQFSNNWOMU-QGZVFWFLSA-N 368.437 3.518 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1ccncc1 24828823 OYGZWFBCSRMRCB-SNVBAGLBSA-N 369.646 3.581 0 40 FHAB CC[C@@H](C)NC(=O)C(=O)c1c(-c2ccc(OC)cc2)cc2ccccn12 408675781 KJWALGQJOFOUDX-CQSZACIVSA-N 350.418 3.712 0 40 FHAB Cc1ccc(NC(=O)N(C)Cc2nc(-c3cccnc3)no2)cc1Cl 75110582 SJMNRDSKIRCTAU-UHFFFAOYSA-N 357.801 3.757 0 40 FHAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@H](c1ccccc1)n1cccc1 62021932 JWDBCBIUEYTYLF-NRFANRHFSA-N 361.445 3.553 0 40 FHAB Cc1cc(C(=O)COC(=O)Cc2cccs2)c(C)n1-c1nccs1 22703254 KSDROOVDGBMYMB-UHFFFAOYSA-N 360.460 3.581 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1NC(=O)CC 408699403 WRRDQKBQAFPIJY-UHFFFAOYSA-N 362.451 3.543 0 40 FHAB CCc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)cc1 408708389 YWGSOBHICNGKHT-UHFFFAOYSA-N 351.233 3.811 0 40 FHAB COc1ccccc1OCCNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 31243891 PESILBCXRDUDOO-INIZCTEOSA-N 371.477 3.955 0 40 FHAB Cc1ccc(-c2nnc(CN(C)C(=O)COc3ccccc3Cl)o2)cc1 408714385 PUEVRNKIODPLRT-UHFFFAOYSA-N 371.824 3.736 0 40 FHAB CCOc1ccc(-c2nnc3n2N[C@H](c2ccc(OC)cc2)S3)cc1 3843244 DFHFEMKPYSUBHX-KRWDZBQOSA-N 354.435 3.700 0 40 FHAB biogenic O=C(c1cccnc1)C1CCN(C(=O)c2csc3c2CCCC3)CC1 72346677 AORPZPUYWYPCOV-UHFFFAOYSA-N 354.475 3.757 0 40 FHAB CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2)nnc1-c1cccnc1 32579421 XZPQECJCIFIGIW-GFCCVEGCSA-N 371.441 3.618 0 40 FHAB CC(C)c1nnc(NC(=O)Cc2csc(Cc3ccccc3)n2)s1 30601065 UCZUVHHAKULOGN-UHFFFAOYSA-N 358.492 3.890 0 40 FHAB Cc1cccc(CSCCNC(=O)c2cccc(N3CCCC3=O)c2)c1 219208683 LYIITYNBBQLBSF-UHFFFAOYSA-N 368.502 3.785 0 40 FHAB Cc1nnc(Nc2cncc([C@H]3CCCN3Cc3ccc(F)cc3)n2)s1 72376218 ZNZWANAJQJLRTA-MRXNPFEDSA-N 370.457 3.856 0 40 FHAB CC[C@H](C)Nc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(=O)O 217582101 GHVRTTOEIAQYTL-ZDUSSCGKSA-N 368.499 3.596 0 40 FHAB Cc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)c3cccnc3)C2)c1 72358696 RTMOVUAFOBVBJX-IBGZPJMESA-N 358.445 3.867 0 40 FHAB CCCCCNC(=O)c1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1 224360780 OZFWYGAZQRHHFT-UHFFFAOYSA-N 374.506 3.822 0 40 FHAB Cc1ccc(C)c(NC(=O)CCNC(=O)c2ccc3oc(Cl)nc3c2)c1 225979603 TYXFMGFIMAISDM-UHFFFAOYSA-N 371.824 3.857 0 40 FHAB O=C(NC[C@@](O)(c1ccco1)c1cccs1)c1ccc2ncsc2c1 225586089 ISOLFIBIRFZRDJ-GOSISDBHSA-N 370.455 3.617 0 40 FHAB Cc1ccc(CNC(=S)Nc2ccc(N3Cc4ccccc4C3)nc2)o1 223907445 LNFXJWSHNFHVOW-UHFFFAOYSA-N 364.474 3.990 0 40 FHAB Cc1cn2c(=O)cc(COc3ccccc3NC(=O)CC(C)C)nc2s1 41085745 NJRQFTMNPSBQGY-UHFFFAOYSA-N 371.462 3.628 0 40 FHAB CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](CC)C(=O)NC)cc1 222958002 SCLNVQUWYMVBHQ-NRFANRHFSA-N 366.505 3.735 0 40 FHAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3CCOC)N21 222685785 KQIOUSLLFDFHEI-ZTFGCOKTSA-N 356.495 3.509 0 40 FHAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1F 222995240 MNFUINLMAHTHNQ-QGZVFWFLSA-N 370.468 3.702 0 40 FHAB CCN(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1cc(C)ccc1C 225933061 PPBCFLSJSJJOBK-UHFFFAOYSA-N 374.506 3.570 0 40 FHAB COc1ccc(C(=O)NC[C@H]2CCCO2)cc1CSc1ccccc1 224322710 DIPAXUWYHSOEJF-QGZVFWFLSA-N 357.475 3.896 0 40 FHAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)cc1 223780158 YMXHGECRBMIVRX-MOPGFXCFSA-N 364.474 3.904 0 40 FHAB COc1cc(OC)cc([C@H](C(=O)O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)c1 583089890 PNXLHCIGEFTYNA-OWDMVUQNSA-N 373.424 3.847 0 40 FHAB O=C(Cn1ncc2ccccc21)N[C@H](c1cccc(F)c1F)C(F)(F)F 542202111 XZWQIFIQSMQJAN-MRXNPFEDSA-N 369.293 3.734 0 40 FHAB Cn1cnc2ccc(NC(=O)c3cc(F)cc(Br)c3F)cc21 1652584254 JAJIIYQMTLMNRR-UHFFFAOYSA-N 366.165 3.866 0 40 FHAB CC(=O)N[C@H](Cc1nc(-c2ccc(C(F)F)nc2)no1)c1cccs1 664958567 BLVYCQXTFVHOPY-GFCCVEGCSA-N 364.377 3.551 0 40 FHAB Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cnn(-c3cccnc3)c2)o1 675257514 LSETVGFRPQUIFA-KBXCAEBGSA-N 350.422 3.782 0 40 FHAB CC[C@H](C)C(=O)N1CCN(Cc2csc(-c3ccc(OC)cc3)n2)CC1 29803823 NXMKEJXPSZGZHJ-HNNXBMFYSA-N 373.522 3.509 0 40 FHAB O=C(Cn1c(=O)oc2ccccc21)N[C@@H](c1ccccc1F)C1CCCC1 1322471823 FMXWEKKMBNBFTG-HXUWFJFHSA-N 368.408 3.781 0 40 FHAB CC(C)Sc1ccc(CC(=O)NCc2nn(C)c3c2CCCC3)cc1 96099147 TWFFWUDLIQBUHI-UHFFFAOYSA-N 357.523 3.658 0 40 FHAB CC(C)(C)OC(=O)CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O 5007471 VGJXKEMGJOFDOS-XYOKQWHBSA-N 353.827 3.718 0 40 FHAB COC(=O)[C@]1(C)CCc2c(cc(OC)c3cccc(OC)c23)[C@@H]1CC(=O)O 5732164 KVWMGGAYCRYXGY-YCRPNKLZSA-N 372.417 3.541 0 40 FHAB CC(=O)Nc1ccc(C(=O)COC(=O)c2ccccc2C(F)(F)F)cc1 5978051 NAEBAVKKYRRTJQ-UHFFFAOYSA-N 365.307 3.704 0 40 FHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)C3CC3)cc2N1 12181307 ZSOFVKKYHMBART-MRVWCRGKSA-N 356.392 3.654 0 40 FHAB COc1ccc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2cccc(OC)c2)C3)cc1 12238575 QGRPGBNUSPWUCE-DETIRCLXSA-N 367.489 3.824 0 40 FHAB O=C(C1CCCCC1)N1CCC(c2nc(O)cc(-c3ccncc3)n2)CC1 12256542 SQHIIENFBOHQAL-UHFFFAOYSA-N 366.465 3.531 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnnn2C2CCCCC2)cc1F 16295725 AQKGTGVYGTVVGV-GFCCVEGCSA-N 363.462 3.745 0 40 FHAB COc1ccc(-c2cc(-c3ccc(OC)cc3OC)n(C)n2)c(OC)c1 17073295 HXHUGFQZIDPTGQ-UHFFFAOYSA-N 354.406 3.789 0 40 FHAB CCOC(=O)[C@H]1CCCN(C(=S)Nc2ccc(C(F)(F)F)cc2)C1 17074210 IHGAPDNNQBQGMK-NSHDSACASA-N 360.401 3.677 0 40 FHAB Cc1cc(-c2cnc(C3CCN(C(=O)C4CC4)CC3)nc2C(C)C)on1 19121604 DPGNOAPBLWEJED-UHFFFAOYSA-N 354.454 3.679 0 40 FHAB Cn1cc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)Cc2ccccc2)n1 19290063 GFTTXHDHPXPOSA-FQEVSTJZSA-N 360.461 3.778 0 40 FHAB CC(C)CC(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccnc2)C1 19446668 KMJNYABWAOREAR-KNQAVFIVSA-N 366.509 3.592 0 40 FHAB Cn1cc(CCNC(=O)c2c[nH]nc2-c2ccccc2)c2cc(F)ccc21 19714650 XBANXFRTIGKJNT-UHFFFAOYSA-N 362.408 3.680 0 40 FHAB CC[C@H](c1ccc(F)cc1)N(C)C(=O)c1nn(CC)c(=O)c2ccccc12 19717039 WLMCTBZXABAVCR-GOSISDBHSA-N 367.424 3.779 0 40 FHAB CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nnc1-c1ccccc1 5312116 ASUGEPOMYMVYJN-YQQAZPJKSA-N 372.538 3.998 0 40 FHAB Cn1nccc1-c1ccc(CCNC(=O)CSc2ccc(F)cc2)cc1 1889269636 SDVAIYJKGBBMGN-UHFFFAOYSA-N 369.465 3.677 0 40 FHAB O=C(Cc1csc(-c2ccco2)n1)NCCc1c[nH]c2ccccc12 24603833 XGWRNWKYDOOFTL-UHFFFAOYSA-N 351.431 3.786 0 40 FHAB Cc1ccc(-n2nnc3c(SCc4cccc(F)c4)ncnc32)cc1 4166644 UDQSOXQKZQCVOL-UHFFFAOYSA-N 351.410 3.950 0 40 FHAB Cn1ccnc1SCc1cc(=O)c(OC(=O)CC2CCCCC2)co1 4251316 QFVSEKQICSXBIC-UHFFFAOYSA-N 362.451 3.541 0 40 FHAB Cc1ccc(C)c(-c2ccc(SCC(=O)Nc3cc(C)on3)nn2)c1 5411868 LQUNNCKVVDXVHP-UHFFFAOYSA-N 354.435 3.788 0 40 FHAB Fc1cc(F)c2nc(N3C[C@H]4CN(c5ccccn5)C[C@@H]4C3)sc2c1 2298095516 KGSKVTMPDQDWHX-VXGBXAGGSA-N 358.417 3.542 0 40 FHAB CC(=O)Nc1ccc(CNC(=O)CSc2nc3ccccc3s2)cc1 5291507 KBGDCRSRHRYZCD-UHFFFAOYSA-N 371.487 3.663 0 40 FHAB COc1ccc(NC(=O)c2ccccc2N(C)C(=O)c2cccs2)cn1 40039258 JXOXWEQZHVVVPS-UHFFFAOYSA-N 367.430 3.681 0 40 FHAB COc1ncccc1CNC(=O)c1sc2nc(C3CC3)nc(C)c2c1C 30304465 OWKAYZNAKWSBTE-UHFFFAOYSA-N 368.462 3.519 0 40 FHAB Cn1cc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)c2ccccc21 30506280 RFXWUCSSDFUQSB-LJQANCHMSA-N 363.417 3.548 0 40 FHAB CCCCc1ccc(-c2csc(NC(=O)[C@H](C)S(C)(=O)=O)n2)cc1 40130469 YOLQTOBEWVKKDE-LBPRGKRZSA-N 366.508 3.524 0 40 FHAB Cc1cccc(C)c1NC(=O)CNC(=O)c1cc2ccc(F)cc2nc1C 30619209 NMMOHWQAAWFUSL-UHFFFAOYSA-N 365.408 3.668 0 40 FHAB COc1ccc2c(CC(=O)Nc3ccc(N4CCCC4)nc3)coc2c1 31632806 GNDUHOLBLNZIHA-UHFFFAOYSA-N 351.406 3.618 0 40 FHAB COC(=O)c1ccc(NC(=O)c2ccccc2OCc2ccncc2)cc1 32034838 PDUFMINYJLTKLD-UHFFFAOYSA-N 362.385 3.700 0 40 FHAB COc1ccc(C(=O)Nc2ccc(-c3nc4cnccc4o3)c(O)c2)cc1 32095679 FTEQDFCCOVVDPI-UHFFFAOYSA-N 361.357 3.856 0 40 FHAB Cc1cc2nc(NCC[C@H]3C(=O)Nc4ccccc43)c3ccccc3n2n1 101634194 JQGLAANZGIXOTD-OAHLLOKOSA-N 357.417 3.729 0 40 FHAB CN(CC(=O)N1CCc2sccc2C1)Cc1c(F)cccc1Cl 32888209 FBKFYYQSYPQNER-UHFFFAOYSA-N 352.862 3.557 0 40 FHAB Cc1ccccc1-c1noc(C[S@](=O)Cc2cc(-c3ccco3)on2)n1 32801548 VCRJRIGBBGDPQV-SANMLTNESA-N 369.402 3.742 0 40 FHAB CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc(C(F)(F)F)nc2)c1 33174086 ODVAZYURKKYHEO-UHFFFAOYSA-N 371.746 3.708 0 40 FHAB CCCn1c(NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)nc2ccccc21 22233117 XIWWSTOXRFVVKC-FZKQIMNGSA-N 351.406 3.613 0 40 FHAB Cc1nc2cc(NC(=O)c3ccc(CSc4ncn[nH]4)cc3)ccc2o1 22282321 ZVRFJNGRFMIPHY-UHFFFAOYSA-N 365.418 3.799 0 40 FHAB COc1cc(C(=O)N(C)[C@@H]2CCCc3ccccc32)cc(OC)c1OC 23151898 HOWJCQZYESRSEK-QGZVFWFLSA-N 355.434 3.862 0 40 FHAB C[C@@H](CC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1)c1ccccc1 917623 ASUPIKISFAJHPG-LBPRGKRZSA-N 374.487 3.832 0 40 FHAB Cc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)n1CC(C)C 987282 FJMCSKZOCVUHJG-UHFFFAOYSA-N 357.479 3.822 0 40 FHAB CCc1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 1934905 TWORRQPTPCTBTN-LBPRGKRZSA-N 372.490 3.552 0 40 FHAB C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OP(=O)(O)O 2083224 BBWXLCKRYRQQPL-RSJGLCBASA-N 352.367 3.726 0 40 FHAB in-vitro COc1ccc(Cc2nn3c(Cc4ccccc4C)nnc3s2)cc1 2182918 CFCKMRRLADEFFU-UHFFFAOYSA-N 350.447 3.684 0 40 FHAB CCOc1ccc(-c2nn3c(-c4ccccc4OC)nnc3s2)cc1 2392543 GAWGFOOPWBOAOZ-UHFFFAOYSA-N 352.419 3.927 0 40 FHAB CC[C@@H]1CCc2c(sc3ncn4nc(CCn5ccc(C)n5)nc4c23)C1 2803881 QGNOPDHCSMXLIF-CYBMUJFWSA-N 366.494 3.602 0 40 FHAB COc1ccc(C(=O)n2nc3c4c(cccc42)C(=O)c2ccccc2-3)cc1 3197133 VHKYZCJPGGNMLX-UHFFFAOYSA-N 354.365 3.945 0 40 FHAB CCCCCCN[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)O 4280097 RIDYCJCZJDCQKS-CQSZACIVSA-N 360.376 3.657 0 40 FHAB O=C(CCCCCCCCC(=O)OC[C@@H]1CCCO1)OC[C@@H]1CCCO1 4430147 RHWOXBBBVFKHAN-ROUUACIJSA-N 370.486 3.552 0 40 FHAB CC(=O)Nc1ccc(NC(=O)CCCc2nc(-c3ccccc3)no2)cc1 4433210 ILHGUTUTSKQWBB-UHFFFAOYSA-N 364.405 3.656 0 40 FHAB O=C(COC(=O)c1cc2c(s1)CCCC2)Nc1ccc(F)cc1F 4581331 PFTKVPZVIQPGRO-UHFFFAOYSA-N 351.374 3.701 0 40 FHAB C[C@H](OC(=O)c1nc(Cl)ccc1Cl)C(=O)Nc1ccccc1F 4767387 WVSKIXVHDKHQAV-QMMMGPOBSA-N 357.168 3.712 0 40 FHAB COc1ccc(-c2nnc3sc(-c4cccc(C)c4)nn23)cc1OC 4938723 JPVASSJQITVTLI-UHFFFAOYSA-N 352.419 3.845 0 40 FHAB COc1ccc(-c2nnc(SCCOc3ccc(F)cc3)n2C)cc1 5131518 ZMTFHSGODFKSRN-UHFFFAOYSA-N 359.426 3.801 0 40 FHAB COc1ccc(C(=O)[C@H](C)Sc2nnnn2-c2ccc(C)cc2C)cc1 5414866 WYZFXDWLUQSOGC-AWEZNQCLSA-N 368.462 3.651 0 40 FHAB O=C([C@@H](Sc1nc(-c2cccs2)n[nH]1)c1ccccc1)N1CCCC1 5473096 KWALRTLLJAKCJX-HNNXBMFYSA-N 370.503 3.989 0 40 FHAB O=C(CSc1nc(Cc2ccccc2)n[nH]1)Nc1cccc(Cl)c1 5522833 VKDNYGZWNCJEND-UHFFFAOYSA-N 358.854 3.780 0 40 FHAB COc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(OC)c1OC 6249163 DBOZHLHRMSNWHI-UHFFFAOYSA-N 370.449 3.955 0 40 FHAB C[C@@H]1CCC[C@H](NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)[C@@H]1C 6435589 HJHJWLPOYXGBDT-MDZRGWNJSA-N 357.498 3.871 0 40 FHAB O=c1[nH]c2ccccc2n1CCCSc1nnc(C2CCCCC2)o1 6589525 WLEAOYBZXKWRHF-UHFFFAOYSA-N 358.467 3.943 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)CCn1c(=O)oc2ccc(Cl)cc21 6760172 QKFUFALCIDDWGD-CQSZACIVSA-N 372.852 3.776 0 40 FHAB COc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)c1ccco1 6849486 LBJSBAVMHKMSEJ-BSIFCXSSSA-N 355.434 3.797 0 40 FHAB biogenic O=C(c1cc(Oc2cccc(F)c2)nc2ccccc12)N1CCOCC1 6850650 ZVXUGWURPDLXEU-UHFFFAOYSA-N 352.365 3.639 0 40 FHAB Cc1cccc(CN2C(=O)N/C(=C/c3cccn3-c3ccccc3)C2=O)c1 6967282 ZTWTYUIFBJYPLR-XSFVSMFZSA-N 357.413 3.879 0 40 FHAB O=C(CSc1nnnn1-c1cccc(F)c1)c1ccc2c(c1)CCCC2 7170111 IIEDWMXXBFGAJF-UHFFFAOYSA-N 368.437 3.655 0 40 FHAB O=C(Cc1c(F)cccc1Cl)Nc1cc(Cl)ccc1-n1cncn1 7683488 ORECMFLYGBAIFZ-UHFFFAOYSA-N 365.195 3.894 0 40 FHAB Fc1ccc(N2CCN(Cc3cc(Cl)c4c(c3)OCCO4)CC2)cc1 7905153 PHSLMYWQRYCRMU-UHFFFAOYSA-N 362.832 3.573 0 40 FHAB O=C(O)c1ccc(-c2ccc(OS(=O)(=O)c3ccccc3F)cc2)cc1 7988243 ZABKSKVXPBTHFF-UHFFFAOYSA-N 372.373 3.959 0 40 FHAB COc1ccccc1-n1c(-c2ccccc2)cnc1S[C@@H](C)C(N)=O 8719929 KVGXQYOVGUWJFM-ZDUSSCGKSA-N 353.447 3.514 0 40 FHAB Fc1ccc(NC2=NN=C(c3ccc4c(c3)OCCCO4)CS2)cc1 8993861 VKDZUKYIJLZIHA-UHFFFAOYSA-N 357.410 3.906 0 40 FHAB CCOc1cc2c(cc1CNC(=O)NCCc1ccc(F)cc1)O[C@H](C)C2 9578425 DEDGRZDHVJJSNU-CQSZACIVSA-N 372.440 3.590 0 40 FHAB COc1cc(CNC(=O)c2cc(Cl)cc(Cl)c2)cc(OC)c1OC 9887840 ACMPSUDOYCZDFQ-UHFFFAOYSA-N 370.232 3.949 0 40 FHAB COc1ccccc1[C@H]1CC(=O)c2cnn(-c3nc4ccccc4[nH]3)c2C1 10157241 FUYDNIVJWIBXGT-CYBMUJFWSA-N 358.401 3.670 0 40 FHAB Cc1cc(C)c(CNC(=O)c2oc3ccccc3c2COC(C)C)c(=O)[nH]1 10457653 SQPCINGQSIPCCE-UHFFFAOYSA-N 368.433 3.593 0 40 FHAB Cc1ccc(OCC(=O)N[C@H](C)c2nc(-c3ccccc3)no2)c(C)c1 10537076 FMVWUMPBRQHTET-OAHLLOKOSA-N 351.406 3.610 0 40 FHAB Cc1ccc(C)c(CC(=O)Nc2nc3cc4c(cc3s2)OCCO4)c1 10701596 ZFXMWZMWOHZLFT-UHFFFAOYSA-N 354.431 3.866 0 40 FHAB Cc1ccc(OCCN(C)C(=O)c2cc(C)nc3c2cnn3C(C)C)cc1 10968407 VSDHSJKUFDRRNG-UHFFFAOYSA-N 366.465 3.780 0 40 FHAB COc1ccccc1OCCC(=O)Nc1c(C)nn(-c2ccccc2)c1C 11059514 MALCPMSIXGZRHV-UHFFFAOYSA-N 365.433 3.905 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)CNc1ccc(Cl)cc1C 11080698 YASPKYALHVCTQJ-UHFFFAOYSA-N 361.829 3.666 0 40 FHAB O=C(CCc1nc(-c2ccncc2)no1)Nc1ccc(C(F)(F)F)cc1 11426559 CYKAXEFTSPXTQC-UHFFFAOYSA-N 362.311 3.722 0 40 FHAB Cc1cccc(C(=O)N[C@H](C(=O)OCCOc2ccccc2F)C(C)C)c1 11760993 CYEIEJRQIAYAAR-IBGZPJMESA-N 373.424 3.511 0 40 FHAB Cc1cc(C)n2nc(C(=O)Nc3cccc(/C=C/c4ccccn4)c3)nc2n1 12108547 GPLGFLSQMHQLNB-MDZDMXLPSA-N 370.416 3.559 0 40 FHAB CCOC(=O)C1(Cc2ccccc2-c2ccccc2OC)CCNCC1 12236342 JOXLSGAKZRFFSB-UHFFFAOYSA-N 353.462 3.838 0 40 FHAB CC(=O)N(c1ccccc1)c1nc(CSc2nnnn2C(C)C)cs1 12616405 PSDLPRHPMDFCQN-UHFFFAOYSA-N 374.495 3.687 0 40 FHAB O=C(c1ccccc1)C1CCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1 12977420 VJBDGWHEFJQDGL-UHFFFAOYSA-N 373.456 3.667 0 40 FHAB COC(=O)c1cnc(NC(=O)c2ccc(SC(F)(F)F)cc2)s1 13012787 VTLTXRQQOAHYFF-UHFFFAOYSA-N 362.354 3.794 0 40 FHAB NC(=O)c1ccc(NC(=O)CCCc2ccc(Br)s2)cc1 14136884 UILOHYMFXJFSAX-UHFFFAOYSA-N 367.268 3.571 0 40 FHAB COc1ccc(O[C@H](C)C(=O)NCCSCc2cccc(C)c2)cc1 14398882 HKLCAHILDBKOPT-MRXNPFEDSA-N 359.491 3.821 0 40 FHAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(C)o1 14570446 CNCBVPHXGKCJRI-UHFFFAOYSA-N 359.813 3.530 0 40 FHAB COc1ccc(CC(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@@H]32)cc1F 15497214 QGYHDMQNXCSOPS-XLIONFOSSA-N 368.452 3.520 0 40 FHAB Cc1cc(=O)oc2cc(NC(=O)[C@H]3COc4ccc(Cl)cc4C3)ccc12 15607258 GIXDFSVWAJXRDJ-CYBMUJFWSA-N 369.804 3.945 0 40 FHAB COC(=O)/C(=C/C=C(c1ccccc1)c1ccccc1)N(C(C)=O)C(C)=O 16952364 KNDGHRKWNYSDIS-QNGOZBTKSA-N 363.413 3.570 0 40 FHAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 17822440 PSMRINDZRKPYOZ-AWEZNQCLSA-N 372.852 3.840 0 40 FHAB CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1cccs1 18066016 MVSALTNFRNLWTQ-UHFFFAOYSA-N 369.475 3.555 0 40 FHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3Cc3ccccn3)cc2n1 19116932 KCAOOIOTMKKPIJ-HNNXBMFYSA-N 361.371 3.789 0 40 FHAB O=C1CCCC[C@]2(CN(Cc3ccc(F)cc3)C[C@H]2c2ccccc2F)N1 19368219 DNMXBIUBLVSVHJ-SIKLNZKXSA-N 370.443 3.993 0 40 FHAB CCOC(=O)C1=C(C)NC(C)=C2C(=O)Oc3c(Cl)cc(Cl)cc3[C@@H]12 19690599 QMZCFKKIDZFRJY-AWEZNQCLSA-N 368.216 3.710 0 40 FHAB COc1ccccc1/C=C/CN1CC[C@@]2(C)[C@@H]1CCCCCN2C(C)=O 19713324 IZDNNASDIAKKEU-QOWAQPQZSA-N 356.510 3.964 0 40 FHAB COc1ccc2nc(Nc3nc(-c4ccc(C)cc4)cc(=O)[nH]3)nc(C)c2c1 20633969 YANSFZCRPYCMTO-UHFFFAOYSA-N 373.416 3.749 0 40 FHAB Cc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)o1 23871281 RHXFBVNUUILNDS-SNVBAGLBSA-N 356.205 3.929 0 40 FHAB COC(=O)c1n[nH]c2ccc(NC(=O)C3(c4cccc(Cl)c4)CC3)cc12 25083148 NFMUVBVPSOMYMM-UHFFFAOYSA-N 369.808 3.673 0 40 FHAB CN(C)C(=O)c1ccccc1NC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 25128725 QNTXBFKXRZTORJ-UHFFFAOYSA-N 368.824 3.684 0 40 FHAB C[C@@H](NCc1ccc(OCC(N)=O)cc1)c1ccc(Cl)cc1Cl 27398706 RPSUNZIPIIFFNN-LLVKDONJSA-N 353.249 3.708 0 40 FHAB Cc1ccc(Cn2cc(Br)c(NC(=O)c3cccnc3)n2)cc1 27917092 BSWCOXNZVKKQCC-UHFFFAOYSA-N 371.238 3.650 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)NC1CCN(CCc2ccccc2)CC1 27931741 SMMHNEPYVQONHP-UHFFFAOYSA-N 361.489 3.913 0 40 FHAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1 28196720 XASMXNQBIWCBIZ-UHFFFAOYSA-N 373.352 3.601 0 40 FHAB COc1ccc2[nH]cc(CCNC(=O)Cn3ccc4ccc(F)cc43)c2c1 32101451 DVJVURCFEILHQK-UHFFFAOYSA-N 365.408 3.629 0 40 FHAB CCOc1ccc([C@H](C)NC(=O)c2nc(SC)ncc2Cl)cc1 32753469 JMXQHQHAYYYNQM-JTQLQIEISA-N 351.859 3.742 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCCN(C[C@H]2CCCO2)CC1 32912559 VJZVSLXBENPBHD-CQSZACIVSA-N 372.296 3.712 0 40 FHAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1cccc(C(=O)NC)c1 33040132 OFQUUWGLEYHEDL-HUUCEWRRSA-N 353.466 3.999 0 40 FHAB C[C@@H](NC(=O)Nc1cccc(C(N)=O)c1)c1ccc(C(F)(F)F)cc1 43715886 XDSCMCVMZUMLKX-SNVBAGLBSA-N 351.328 3.687 0 40 FHAB CC[C@H]1CCc2nc(NC(=O)c3ccc(Cn4cncn4)cc3)sc2C1 46783817 SEHXWZWIFHLQNM-ZDUSSCGKSA-N 367.478 3.550 0 40 FHAB CCCCNC(=O)C1CCN(Cc2cccc(Br)c2)CC1 48042747 WPAJQCLSVQXCFY-UHFFFAOYSA-N 353.304 3.577 0 40 FHAB CN(C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccc(F)cc1 48309864 SFSHNKUAXHUQDC-UHFFFAOYSA-N 353.397 3.846 0 40 FHAB Cc1ccc(-c2noc(-c3nn(-c4ccc(F)c(F)c4)ccc3=O)n2)cc1 49006392 BRXREUBNJAGHBC-UHFFFAOYSA-N 366.327 3.536 0 40 FHAB FC(F)(F)c1ccc(Nc2nnnc3c2cnn3-c2ccccc2)cc1 49029830 YYKHZEVSVAIALE-UHFFFAOYSA-N 356.311 3.973 0 40 FHAB O=C(Nc1nccs1)c1cnn(-c2ccc(F)cc2F)c1-n1cccc1 49546395 RDSQDHMUYONEQM-UHFFFAOYSA-N 371.372 3.650 0 40 FHAB O=C(Cn1ccc2ccc(Cl)cc21)NCCc1nc2ccccc2[nH]1 53142656 ZMWAIXATDWXOCG-UHFFFAOYSA-N 352.825 3.530 0 40 FHAB COCCOc1ccc(NC(=O)c2cc(Cl)c(Cl)n2C)cc1F 55727587 HYYOUJBAXBXMGD-UHFFFAOYSA-N 361.200 3.749 0 40 FHAB Cc1noc(C)c1CSCC(=O)N1CCC(N(C)c2ccccc2)CC1 57088996 HEFSQKAEPOIOQS-UHFFFAOYSA-N 373.522 3.652 0 40 FHAB CSc1ccc(-c2noc(CN3CCN(C4CCCCC4)CC3)n2)cc1 57427633 POYMVOORBGJIBD-UHFFFAOYSA-N 372.538 3.909 0 40 FHAB CCCC(=O)NC[C@@H]1CCCN(C(=O)c2oc3ccc(OC)cc3c2C)C1 58218579 MTYBQZXNPHKBEW-HNNXBMFYSA-N 372.465 3.518 0 40 FHAB CCCCS[C@H](C)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 58264007 LXOQSOPJXUGWSR-OAHLLOKOSA-N 363.527 3.721 0 40 FHAB C[C@H](NC(=O)C(=O)Nc1ccc2ncccc2c1)c1ccc2c(c1)CCCC2 61944600 OEOVAQHZYOGRIE-HNNXBMFYSA-N 373.456 3.930 0 40 FHAB C[C@H](Nc1ccc(NC(=O)[C@H]2COCCO2)cc1Cl)c1ccccc1 64658073 HUSXGZHMJLXAMS-SCLBCKFNSA-N 360.841 3.867 0 40 FHAB NC(=O)c1oc2ccccc2c1NC(=O)c1csc(-c2cccs2)n1 68536314 GDAVAZLRFQBHFY-UHFFFAOYSA-N 369.427 3.969 0 40 FHAB CCCN(C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 72308816 ZTWSFFSBFYQQQV-GJZGRUSLSA-N 371.447 3.696 0 40 FHAB Cc1cccc(-c2cncc([C@H]3CCCN(C(=O)Cc4ccncc4)C3)n2)c1 72359584 GKBHVAFZPJUPGF-FQEVSTJZSA-N 372.472 3.796 0 40 FHAB Oc1cc(CN2CCC([C@H](O)c3cccs3)CC2)nc2ccccc12 92065868 BBMUDYAMNSDXTN-FQEVSTJZSA-N 354.475 3.948 0 40 FHAB Cc1cc(C)c(C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)o1 93055593 UUIVYZGXNUNHBV-CYBMUJFWSA-N 354.328 3.604 0 40 FHAB COc1cc(CN[C@H]2CCCCC[C@@H]2CO)ccc1OCC(F)(F)F 95410525 HAACALIOSSHJNM-CABCVRRESA-N 361.404 3.667 0 40 FHAB Cn1cc(-c2cnc(-c3cccc(F)c3)nc2)cc1C(=O)NC1CCCC1 96147646 KJDYNEMXWQMBDM-UHFFFAOYSA-N 364.424 3.961 0 40 FHAB O=C(O)c1c(Br)ccc(Br)c1Br 96171731 IUCILSOWKNCUOC-UHFFFAOYSA-N 358.811 3.672 0 40 FHAB O=C(O)c1ccccc1C[C@H]1SC(Nc2ccc(Cl)cc2)=NC1=O 96306115 ORGPSMOJSKJOQD-CQSZACIVSA-N 360.822 3.691 0 40 FHAB CCc1ccc(/C=C2/N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)cc1 96892221 WVBWCBRHDNJJRU-XMHGGMMESA-N 360.413 3.720 0 40 FHAB O=C1[C@@H]2[C@H](c3ccccc3)[C@]2(Cl)C(=O)[C@@H]2[C@@H](c3ccccc3)[C@@]12Cl 100295416 UNEGTQFQRVOMCV-DMVWQLONSA-N 357.236 3.921 0 40 FHAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)C1C[C@@H]2CCC[C@@H](C1)C2=O 102905005 LWRHDIOFSLOPEI-STQMWFEESA-N 364.825 3.550 0 40 FHAB CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C 223188747 IOWOOEZUDQYESP-OAQYLSRUSA-N 370.468 3.558 0 40 FHAB COc1ccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1Cl 223357290 PVSXFYSDUKAAOM-UHFFFAOYSA-N 360.841 3.987 0 40 FHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccccc1 224523188 AHGYFNVINWDZAV-UHFFFAOYSA-N 370.405 3.879 0 40 FHAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)[nH]1 224621686 VGZVVPHWGXIBDJ-ZWKOTPCHSA-N 350.447 3.601 0 40 FHAB O=C(COc1ccc2c(c1)CCCC2)NCCOc1ccc(Cl)cc1 225110948 UKWLXYVZBFXIMG-UHFFFAOYSA-N 359.853 3.793 0 40 FHAB COc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(C)cn1)CC(C)(C)O2 225684599 WWCRBZMIWGQVJI-OAHLLOKOSA-N 357.479 3.987 0 40 FHAB COC(=O)c1ccc(NC(=O)c2snnc2-c2ccc(C)cc2)cc1 225775041 RYHGTTZWZVSPBL-UHFFFAOYSA-N 353.403 3.552 0 40 FHAB O=C(NCc1cncc(-c2cccs2)c1)c1ccc(Cn2ccnc2)cc1 238834464 GNAPRPRTVXARDX-UHFFFAOYSA-N 374.469 3.985 0 40 FHAB Cc1noc([C@@H]2CN(C(=O)/C=C\c3cccs3)C[C@@H]2c2ccccc2)n1 253401449 MYQSEXCHBHJFGJ-ZWHYWQQASA-N 365.458 3.863 0 40 FHAB Cc1cccc(C[C@H]2CCCN(C(=O)c3ccccc3Cn3cccn3)C2)n1 257250100 JLAWSAKFLNBBED-LJQANCHMSA-N 374.488 3.730 0 40 FHAB Cc1cccc(Nc2cc([C@H]3CCCN3C(=O)c3ocnc3C)ccn2)n1 257278034 OAMKEUSUXFZVCC-MRXNPFEDSA-N 363.421 3.802 0 40 FHAB O=C(c1ccc(F)c(Cl)c1)N1CCC(c2ccnc3ccnn23)CC1 257292965 QNPMSRULOHMSFB-UHFFFAOYSA-N 358.804 3.542 0 40 FHAB C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccccc1 408708442 QFGKJOOTXLFAGR-GOEBONIOSA-N 356.853 3.613 0 40 FHAB O=C(CSCc1cccc(Br)c1)N[C@H]1C[C@H]2CC[C@H]1C2 409184039 HWTPMOKWVCEXCE-WHOFXGATSA-N 354.313 3.987 0 40 FHAB Cc1cccc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1 409272509 QTCRTUSYBAGDRN-UHFFFAOYSA-N 374.506 3.643 0 40 FHAB Cc1nnc(Cn2c(-c3cccc(Oc4ccccc4)c3)noc2=O)s1 539094734 FQEPYTIUPJIXPL-UHFFFAOYSA-N 366.402 3.504 0 40 FHAB Cc1cnn([C@@H]2CCN(C(=O)Nc3cccc(-c4ncco4)c3C)C2)c1 566839736 QFDQINYHMRBVJK-OAHLLOKOSA-N 351.410 3.634 0 40 FHAB CCC1(O)CN(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C(C)C)C1 583308240 OFMZBKWYCQCOPG-UHFFFAOYSA-N 362.861 3.638 0 40 FHAB C[C@H](NC(=O)N1CCC[C@H](n2ccnc2)C1)c1ccc(F)cc1Cl 605981449 PFCUTIDPNAFIBX-JSGCOSHPSA-N 350.825 3.783 0 40 FHAB Cc1cn(C2CCCCC2)nc1NC(=O)NCc1c(C2CC2)cnn1C 666668543 CIBADFZITYLDNX-UHFFFAOYSA-N 356.474 3.629 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[C@H](Oc2cnsn2)C1 1775967031 BWKGYMIHBYEPLS-VIFPVBQESA-N 359.238 3.530 0 40 FHAB Cc1ccc(-n2ccn3c(SCC4CCCC4)nnc3c2=O)c(C)c1 2298139609 IGJBUTGLDIUUCQ-UHFFFAOYSA-N 354.479 3.779 0 40 FHAB O=C(c1ccccc1)N1C[C@H](COc2ccccc2)O[C@@H](c2ccco2)O1 709996 LEHRTFFXYSXILL-WIYYLYMNSA-N 365.385 3.830 0 40 FHAB CCCC(=O)NC(=S)Nc1cc2nn(-c3ccc(C)cc3)nc2cc1C 724335 GVURHUJNZSGBKM-UHFFFAOYSA-N 367.478 3.650 0 40 FHAB COc1ccccc1[C@H]1Nc2ccccc2-c2nnc(SC)nc2O1 822536 LWJRMROLSNLEOW-INIZCTEOSA-N 352.419 3.772 0 40 FHAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccncc3)C(=O)[C@H]12 840481 ZAVGHHQBUCUPQN-ISQHLFTMSA-N 366.420 3.652 0 40 FHAB CC(C)NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2 865739 FOFUNFQXOZNCSI-SKDRFNHKSA-N 358.389 3.743 0 40 FHAB C[C@H]1CCCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)C1 882343 NCXZLEQBJFOJPS-NSHDSACASA-N 351.859 3.741 0 40 FHAB COc1ccc(-c2noc(CCC(=O)Nc3cccc(C)c3)n2)cc1OC 2343998 RHSYUYNBINIFFK-UHFFFAOYSA-N 367.405 3.634 0 40 FHAB COc1ccc(OC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 3097389 SPSGKJZGAZJGPK-UHFFFAOYSA-N 373.364 3.715 0 40 FHAB CN(C(=O)COc1ncnc2c(Cl)cc(Cl)cc12)c1ccccc1 3334419 UGPYYRBLVGXJQZ-UHFFFAOYSA-N 362.216 3.978 0 40 FHAB COc1ccc2c(CC(=O)OCC(=O)Nc3cccc(Cl)c3)coc2c1 3419579 YRVCKUFUPYADHL-UHFFFAOYSA-N 373.792 3.819 0 40 FHAB CC1(C)O[C@@](C)(C(O)(c2ccccc2)c2ccccc2)CC[C@H]1C(=O)O 3845819 AVAHQCHXGWDAEX-GHTZIAJQSA-N 354.446 3.971 0 40 FHAB biogenic O=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccc2ncsc2c1 4325843 RNSMBEWHVBTWBK-UHFFFAOYSA-N 355.400 3.887 0 40 FHAB COc1cccc2cc(C(=O)NC(C)=O)/c(=N/c3cccc(Cl)c3)oc12 4551047 ITSTVZNITXFWLC-QOCHGBHMSA-N 370.792 3.604 0 40 FHAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)Nc1nc2ccc(Cl)cc2s1 4615090 JCYQJCDGWABURO-BCWBERDBSA-N 350.827 3.635 0 40 FHAB CC(=O)[C@H]1[C@H](N2CC2)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4759010 YKAAPHAUSMBTTG-LXGBQXIBSA-N 357.538 3.809 0 40 FHAB O=C(Nc1cccn(Cc2cccc(C(F)(F)F)c2)c1=O)c1cccnc1 5000924 BCRJYNVHOXHZQX-UHFFFAOYSA-N 373.334 3.563 0 40 FHAB C[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1ccc2c(c1)OCCO2 5033942 BMQPRSYVWIXFMG-LLVKDONJSA-N 356.403 3.718 0 40 FHAB O=C(NCCc1ccccc1)N1CCn2cccc2[C@@H]1c1cccs1 5256524 LGCOZITUAKCMIP-LJQANCHMSA-N 351.475 3.907 0 40 FHAB CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)n1nnc2ccccc2c1=O 5304940 DRNCYAWAZAYDNR-GOSISDBHSA-N 350.422 3.505 0 40 FHAB O[C@H](CCCCCCCC[C@@H](O)CN1CCCCC1)CN1CCCCC1 5566879 KSBMOZRBGBWYTL-FGZHOGPDSA-N 368.606 3.801 0 40 FHAB Cc1cc(C)nc(S[C@H](C)C(=O)c2cc(Br)ccc2O)n1 5744166 YXYFAURRPOBPKE-SNVBAGLBSA-N 367.268 3.925 0 40 FHAB Cc1cc2nnc(S[C@H](C)C(=O)N3CCCCC3)n2c2ccccc12 5885617 WGUQBZCHSHICAZ-CQSZACIVSA-N 354.479 3.684 0 40 FHAB CCOC(=O)c1ccccc1NS(=O)(=O)c1cccc(Cl)c1Cl 5927413 JWRIERQDJSGTAO-UHFFFAOYSA-N 374.245 3.971 0 40 FHAB COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccncc1 6126317 VMYAWYVHMDIBQP-UHFFFAOYSA-N 356.378 3.988 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccs2)N1c1ccccn1 6400160 PHSFMJFAXJFVJX-QGZVFWFLSA-N 360.394 3.999 0 40 FHAB CSc1ccc([C@@H]2SCC(=O)N2C[C@H]2COc3ccccc3O2)cc1 6585839 ITDWBTGYFQNGJF-LIRRHRJNSA-N 373.499 3.823 0 40 FHAB CC[C@H](C)n1c(S[C@H](C)C(=O)NC2CCCC2)nc2ccccc2c1=O 7237528 RFYGLPHIWVOZJB-UONOGXRCSA-N 373.522 3.907 0 40 FHAB O=C(NC[C@@H]1COc2ccccc2O1)c1sccc1-c1ccccc1 7783293 PPIUSIPSDQKZTJ-OAHLLOKOSA-N 351.427 3.985 0 40 FHAB O=C(CSc1ncnc2ccccc12)Nc1ccc2c(c1)OCCCO2 8071429 FFJIQFKLVAVMCH-UHFFFAOYSA-N 367.430 3.522 0 40 FHAB COc1ccc(CN(C(=O)c2cc(Cl)c3c(c2)OCO3)C2CC2)cc1 8164897 SVAVYSZGJCGMED-UHFFFAOYSA-N 359.809 3.882 0 40 FHAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc(OCC(=O)O)c1 8215283 BOJAPVXZWLMKOU-GFCCVEGCSA-N 363.797 3.518 0 40 FHAB CN(c1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1)S(C)(=O)=O 8297657 XNJGXBGLSZUBIA-UHFFFAOYSA-N 360.460 3.579 0 40 FHAB O=C(Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2)c1c(F)cccc1F 9037632 FCPMKKVZXNNUEL-UHFFFAOYSA-N 356.372 3.512 0 40 FHAB CCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1cccs1 9304433 UJTFJSPKKSBQCP-UHFFFAOYSA-N 356.447 3.651 0 40 FHAB COc1ccc(/N=c2\scc(-c3cccc(OC)c3)n2CCCO)cc1 9317534 QXQYXZYMNINFAQ-MRCUWXFGSA-N 370.474 3.849 0 40 FHAB Cc1ccnc(SCc2nc3cc(NC(=O)C(C)(C)C)ccc3n2C)n1 9421264 JZPXKUXCHBLQJI-UHFFFAOYSA-N 369.494 3.949 0 40 FHAB COc1ccc(NC(=O)COc2ccccc2C(F)(F)F)c(OC)c1 9544412 PEJNKLFDYLFNOR-UHFFFAOYSA-N 355.312 3.740 0 40 FHAB CN(Cc1ccccc1)C(=O)/C(=C\c1ccc(F)cc1)n1ccccc1=O 9763233 WOSIVUJOXBKKJH-HMMYKYKNSA-N 362.404 3.644 0 40 FHAB CCn1c(=O)n(CCC(=O)Nc2cc(Cl)ccc2C)c2ccccc21 10413515 DUKXHCIAUMXDEC-UHFFFAOYSA-N 357.841 3.814 0 40 FHAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)/C=C/c2cccc(F)c2)C1 11001759 NEXKGVSAEDLJFM-FLVLSHQESA-N 352.409 3.716 0 40 FHAB CCNC(=O)[C@H](C)Sc1ncc(-c2ccccc2)n1Cc1ccco1 11647548 VMRSRUGYBVZSFZ-AWEZNQCLSA-N 355.463 3.808 0 40 FHAB CCOc1ccc2nc3c(cc2c1)CN(Cc1ccco1)C(=O)[C@H](C)O3 12115596 UHDULDBHRAFHJX-ZDUSSCGKSA-N 352.390 3.536 0 40 FHAB Cc1ccc(F)cc1NC(=O)C1CCN(c2nc3ccccc3n2C)CC1 12116329 UTOSJJVQXPQZAL-UHFFFAOYSA-N 366.440 3.876 0 40 FHAB COc1cccc([C@@H]2C[C@H](c3ccccc3Cl)Nc3nc(N)nn32)c1 12469158 QFOZXJJXXRICQD-CVEARBPZSA-N 355.829 3.669 0 40 FHAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CC(c2ccccc2F)=NO1 12848966 MTZHBVRQRDWBGF-OAHLLOKOSA-N 368.286 3.856 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)N1CCn2cccc2[C@@H]1c1ccccc1 12887929 JFGNOGGZINATQM-QHCPKHFHSA-N 374.440 3.781 0 40 FHAB Cc1cccc(NC(=O)CNC(=O)c2csc(-c3ccccc3)n2)c1C 12988608 MDKOTOHTLKEIRE-UHFFFAOYSA-N 365.458 3.795 0 40 FHAB Cc1ccccc1Nc1nc(N2C[C@@H](C)C[C@@H](C)C2)nc2c1cnn2C 13286743 RSROFVBUSAKTBP-OKILXGFUSA-N 350.470 3.898 0 40 FHAB Cc1cc(Cl)ccc1NC(=O)CCn1nc(-c2cccs2)oc1=O 14140085 MEECNNMOCBYGLY-UHFFFAOYSA-N 363.826 3.555 0 40 FHAB O=C(Cc1ccccc1)NN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O 15057006 IDBNKMUQKYQGQE-GDNBJRDFSA-N 372.833 3.650 0 40 FHAB COc1ccc([C@H]2CCCN2CC(=O)N2CCSc3ccccc32)cc1 16339272 JSVVZJBBFCUTNX-GOSISDBHSA-N 368.502 3.971 0 40 FHAB CCN(CC)c1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 16598793 BBTGZNJLVGSEOK-SFHVURJKSA-N 369.490 3.974 0 40 FHAB Cc1cc(OCCCC(=O)OCc2ccc(C(N)=O)cc2)ccc1Cl 16759296 IMWUYKNIFMSBTQ-UHFFFAOYSA-N 361.825 3.650 0 40 FHAB O=c1cc([C@@H]2CCCCN2Cc2ccccc2F)nc(-c2cccnc2)[nH]1 19349092 JXFVUIMHBPFPDC-IBGZPJMESA-N 364.424 3.698 0 40 FHAB CCCN1CCC(C[C@@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)OCC)CC1 19502593 VRFYANCZHCBUIO-IBGZPJMESA-N 372.509 3.933 0 40 FHAB Cc1nccn1Cc1cccc(NC(=O)c2cn3cc(Cl)ccc3n2)c1 19716750 KKGURAJEJXLDAZ-UHFFFAOYSA-N 365.824 3.793 0 40 FHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1CCN(Cc2ccccc2)CC1 20460809 IMYPSTGBWYYROY-QFIPXVFZSA-N 366.505 3.805 0 40 FHAB Cc1cc(=O)c(C(=O)N(C)Cc2ccsc2)nn1-c1ccccc1Cl 21935753 UGLLSIQXZQXZHH-UHFFFAOYSA-N 373.865 3.528 0 40 FHAB Cc1c(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)oc2c(F)cccc12 22384343 LMLZLLVBUXCQOD-UHFFFAOYSA-N 362.382 3.504 0 40 FHAB CC(C)c1cc(-c2nn3c(Cc4ccc(Cl)cc4)nnc3s2)[nH]n1 22504526 JTAUQSZQNOFOAC-UHFFFAOYSA-N 358.858 3.944 0 40 FHAB COc1ccc(F)cc1C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 23452186 PYOAZMGMQFVAHY-UHFFFAOYSA-N 372.377 3.939 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@@H]1CCOc2ccccc21 23786699 WMGADKUZEDUDBM-LJQANCHMSA-N 361.445 3.802 0 40 FHAB COc1cc(CCC(=O)N[C@@H](c2ccccc2)C2CC2)cc(OC)c1OC 24026385 JKIQYVZIEOOVJV-NRFANRHFSA-N 369.461 3.913 0 40 FHAB C[C@@H]1Oc2ccc(N[C@H](C)c3nnc(-c4ccccc4)o3)cc2NC1=O 25703853 XKUVISPQBAXNMH-NEPJUHHUSA-N 350.378 3.629 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2O)CC1 26526307 MSEYLZFTJLKOMW-UHFFFAOYSA-N 374.868 3.552 0 40 FHAB Cc1nc(-c2ccccc2)[nH]c(=O)c1CCC(=O)NC1CCCCCCC1 28928173 PDSSSUWYLIFUSX-UHFFFAOYSA-N 367.493 3.907 0 40 FHAB CN1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2)C1 30997331 SPWIHTVYAMCPHO-IBGZPJMESA-N 370.880 3.818 0 40 FHAB O=C(c1csc(-c2ccco2)n1)N1CCC([C@@H](O)c2ccccc2)CC1 31270572 JCTNYIZHIAKYHN-SFHVURJKSA-N 368.458 3.989 0 40 FHAB CC(=O)Nc1cccc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2C)c1 32417354 UZJSETALKSXISF-LBPRGKRZSA-N 366.870 3.646 0 40 FHAB CCCOc1ccc([C@H](C)NC(=O)c2cnc(C)cn2)cc1OCCC 32504472 SCQFJUQHPABYPY-HNNXBMFYSA-N 357.454 3.854 0 40 FHAB C[C@@H](NC(=O)[C@@H](C)n1cnc2ccccc21)c1ccc2c(c1)OCCCO2 32744225 FFNPGTRLWILBID-HUUCEWRRSA-N 365.433 3.636 0 40 FHAB O=C(CSc1ccc(F)cc1)NC[C@H](c1cccs1)N1CCCC1 32761387 LTKGGZZPBJNGPM-MRXNPFEDSA-N 364.511 3.933 0 40 FHAB COc1ccc(C(C)=O)cc1COC(=O)c1cnc2c(cnn2C(C)C)c1 32866007 JEVQMIPZQDZVDV-UHFFFAOYSA-N 367.405 3.580 0 40 FHAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)[C@@H](C)Oc1ccccc1 32912107 KZPACOVOGXFUFK-GOSISDBHSA-N 363.461 3.697 0 40 FHAB COc1cccc(CC(=O)NCc2ccc(CN3CCCC[C@H]3C)cc2)c1 32930265 OZLFEUSDFQLOCE-GOSISDBHSA-N 366.505 3.929 0 40 FHAB CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@@H]1c1ccccc1)CCCC3 35079571 POYFPBLOVRVCKS-GOSISDBHSA-N 363.461 3.937 0 40 FHAB COc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2c(C)cccc2C)cc1 35289399 SWJLOKUUJPZGOO-SFHVURJKSA-N 367.449 3.947 0 40 FHAB CN(CCOc1ccccc1F)C(=O)Nc1ccccc1N1CCCC1 40103771 IRWSXBBNVYVOBH-UHFFFAOYSA-N 357.429 3.969 0 40 FHAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 40140864 NSQADSWRDFKNFN-RYUDHWBXSA-N 360.351 3.591 0 40 FHAB O=S(=O)(NC1(c2ccc(Br)cc2)CCC1)c1ccccc1 40157114 VUVNXELKPABRSA-UHFFFAOYSA-N 366.280 3.807 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)Nc1ccc(F)c(F)c1F)CC2 43232285 PWFRKOFQQFLOPD-UHFFFAOYSA-N 366.339 3.711 0 40 FHAB CC(=O)Nc1nc2ccc(NC(=O)Cc3noc4ccccc34)cc2s1 43243940 WWTIGZZVJUMQIM-UHFFFAOYSA-N 366.402 3.577 0 40 FHAB Cc1cc(C)cc(NC(=S)NCc2cccc(N3CCCC3=O)c2)c1 44077899 GMJLHNOOMQRMBF-UHFFFAOYSA-N 353.491 3.917 0 40 FHAB CCn1c(C)cc(C(=O)O[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1C 49574131 QYNYYQXUNQMTKE-GOEBONIOSA-N 354.450 3.648 0 40 FHAB Cc1cc(=O)n(CC(=O)Nc2c(C)cccc2Cl)c(-c2ccccc2)n1 57526574 YUEPSFGBSSAPJA-UHFFFAOYSA-N 367.836 3.819 0 40 FHAB O=C(COc1ccc(C2SCCCS2)cc1)NCC(F)(F)F 57988371 ZJJJEHMSZYBGBO-UHFFFAOYSA-N 351.415 3.613 0 40 FHAB Cc1cc(C)n2nc(CCCOC(=O)/C=C/c3ccc(Cl)cc3)nc2n1 59892924 RUOQEYRECILSHI-JXMROGBWSA-N 370.840 3.584 0 40 FHAB COCc1ccc(C(=O)NCC2CCN(Cc3cccs3)CC2)cc1 61568879 XMGCZGDVVXCPAD-UHFFFAOYSA-N 358.507 3.537 0 40 FHAB Cc1ncsc1COC(=O)c1c(C)nn(-c2ccc(F)cc2F)c1C 65553755 CVAFIOILGSDGHU-UHFFFAOYSA-N 363.389 3.889 0 40 FHAB Cc1ccc(OCCCC(=O)NCc2nc(-c3cccs3)no2)cc1 65778643 ZRYJYFWHUDFFAB-UHFFFAOYSA-N 357.435 3.582 0 40 FHAB CCOc1ccccc1NC(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F 70636622 LVZNODOHLRNYFO-QGZVFWFLSA-N 368.355 3.657 0 40 FHAB Cc1ccc(-c2nnc(-c3cc(Br)ccc3N)nc2O)cc1 71922019 PCNNXTCRGKTMTQ-UHFFFAOYSA-N 357.211 3.564 0 40 FHAB Cc1nc(=O)c2cc(Cl)ccc2n1C1=CCN(C[C@@H]2CCC=CO2)CC1 72348330 PZXJUQOTLJAWQN-KRWDZBQOSA-N 371.868 3.598 0 40 FHAB CN(C)[C@H](CNC(=O)c1cccc(Oc2cnccn2)c1)C1CCCCC1 76564873 IDLTZXGMOYIGJG-LJQANCHMSA-N 368.481 3.509 0 40 FHAB Cc1ccccc1CSCC(=O)NCc1nc(-c2cccs2)no1 78579146 QJDARTQJBWVRDZ-UHFFFAOYSA-N 359.476 3.656 0 40 FHAB O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)N[C@H]1CCCCC[C@H]1CO 84335117 QSSUSIPINAEHPN-GUYCJALGSA-N 367.440 3.628 0 40 FHAB C[C@H]1CN(c2ccc(NC(=O)c3cc(-c4ccco4)on3)cc2)C[C@@H](C)O1 84713522 XHOJLOLUDRWPEW-OKILXGFUSA-N 367.405 3.801 0 40 FHAB CN1C[C@@H](NC(=O)c2csc(-c3cccs3)n2)[C@H](c2ccccc2)C1 95448277 ZOOFMLGSIDJCFD-LSDHHAIUSA-N 369.515 3.699 0 40 FHAB Cc1csc([C@@H](NC(=O)c2cccc(-c3noc(C)n3)c2)C2CC2)n1 95961459 OCKQMOMDWGTKER-HNNXBMFYSA-N 354.435 3.691 0 40 FHAB CCn1/c(=N/C(=O)c2ccc(F)cc2)sc2c(OC)ccc(OC)c21 100908648 HSGSHHBWCYHSQE-ZZEZOPTASA-N 360.410 3.620 0 40 FHAB C[C@@H]1[C@@H](NC(=O)COC(=O)CCc2nc3ccccc3s2)CCC[C@H]1C 102218978 DAYBGRBVWYPODG-ILXRZTDVSA-N 374.506 3.713 0 40 FHAB Cn1c(SCC(=O)Nc2ccc(Cl)cc2O)nnc1-c1ccccc1 113688262 OJKDLGIHFOIHJS-UHFFFAOYSA-N 374.853 3.572 0 40 FHAB CCCc1nc(S/C(=C\c2cn(CC)c3ccccc23)C(=O)O)n[nH]1 213385847 MVYSZBHURUDFON-GDNBJRDFSA-N 356.451 3.950 0 40 FHAB CCOC(=O)c1ccc(NC(=O)COc2ccc(OC)cc2)cc1Cl 216250908 OUOJUOOLLRZTGG-UHFFFAOYSA-N 363.797 3.543 0 40 FHAB C[C@@](O)(CNC(=O)NCc1ccc(F)cc1)c1cc2ccccc2s1 217521954 ROVOVTWPYSLNLM-LJQANCHMSA-N 358.438 3.747 0 40 FHAB CC[C@H](Oc1cccc(C)c1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 219319364 UWOMLLNVLWBPKC-SFHVURJKSA-N 365.433 3.861 0 40 FHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 223002752 UHMVEGNSEIJGSR-RBUKOAKNSA-N 370.522 3.617 0 40 FHAB CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 223658607 PROKPNRDMINCFP-UHFFFAOYSA-N 361.463 3.990 0 40 FHAB COc1nc(SC)ncc1/C=C1/SCCN1C(=O)c1ccc(C)cc1 225240214 YIKQFXKMDPTPCQ-XNTDXEJSSA-N 373.503 3.703 0 40 FHAB COc1ccc2c(c1)[C@H](NC(=O)c1ccc(OC)c(F)c1)CC(C)(C)O2 225394381 PICSHNMNBJMWEG-MRXNPFEDSA-N 359.397 3.875 0 40 FHAB CC(=O)N1CCC[C@H](c2[nH]c3cccnc3c2CN2C[C@@H](C)C[C@@H](C)C2)C1 247941995 NQPZJKOBDPBIBW-JZXOWHBKSA-N 368.525 3.767 0 40 FHAB Clc1ccccc1CN1CC2(C1)OCC[C@@H]2COCc1cccnc1 253491156 LIOQBWZMLRRWIZ-GOSISDBHSA-N 358.869 3.543 0 40 FHAB Cc1c(C)n(CCC(=O)N2CCCC[C@H]3[C@@H]2CCN3C)c2ccccc12 257222386 DTBWKLYZJWCXGR-SFTDATJTSA-N 353.510 3.733 0 40 FHAB O=C(CC1CCOCC1)N1CCC(Cc2cnc3ccccc3c2)CC1 257270050 MSOPELHDKXUQBV-UHFFFAOYSA-N 352.478 3.833 0 40 FHAB Cc1cc(-c2nccn2C)nc([C@@H]2CCN(Cc3sccc3C)C2)n1 257345025 ZZQAMZOJVNRROD-OAHLLOKOSA-N 353.495 3.545 0 40 FHAB O=C(O)[C@H]1CS[C@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)N1 408807678 DJAJNFAFBIZKPP-SJLPKXTDSA-N 356.422 3.617 0 40 FHAB COc1ccc(OC)c(-c2nc(NC(=O)c3ccncc3)sc2C)c1 408836802 VSKZTFAVEKXZMA-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB CC[C@@H](NC(=O)c1cnc2ccccn12)c1nc(C(F)(F)F)cs1 536559297 YPOSFAWIKFUTDW-SECBINFHSA-N 354.357 3.691 0 40 FHAB CCOc1ccc(C(=O)N2Cc3ccccc3[C@H](c3cnn(C)c3)C2)cc1 585408031 KDJXEHCOYNBDGF-NRFANRHFSA-N 361.445 3.607 0 40 FHAB Cn1cc([C@H]2CN(C(=O)CCc3ccccc3F)Cc3ccccc32)cn1 585410293 ZFSAZDLWWIHFPZ-HXUWFJFHSA-N 363.436 3.666 0 40 FHAB O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1coc(C2CC2)n1 644679394 HOFTUIAIBRTZHC-MQMHXKEQSA-N 361.239 3.991 0 40 FHAB Cc1cc(CNC(=O)NC2CCN(c3nccs3)CC2)ccc1Cl 684920325 DAAOLFDIFSQTMY-UHFFFAOYSA-N 364.902 3.573 0 40 FHAB COCC1(C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)CCOCC1 685562411 DREVTWAFNHVQOH-KRWDZBQOSA-N 353.462 3.974 0 40 FHAB COc1cc(-c2ccc3c(c2)C(c2ccccc2)=NCC(=O)N3)cc(C)n1 1242748029 DIPFVOYDZXVQEF-UHFFFAOYSA-N 357.413 3.855 0 40 FHAB CCCCn1cc(S(=O)(=O)N2C[C@H](C(C)C)c3ccccc32)c(C)n1 1663141162 NRRWYAXJGQBCSQ-QGZVFWFLSA-N 361.511 3.940 0 40 FHAB COc1ccc(C)cc1CCNC(=O)NC[C@@H]1CCCc2ccccc21 1675898940 OJNJTMQLHTVMQD-IBGZPJMESA-N 352.478 3.965 0 40 FHAB CC(C)(C)C(=O)NC1CCN(c2ncc(Cl)cc2Br)CC1 2087045491 CCOVRGJYZBTSGO-UHFFFAOYSA-N 374.710 3.629 0 40 FHAB FC(F)(F)c1cnc(N2CCC[C@@H](COc3cnccn3)C2)c(Cl)c1 2298053043 QAPHJNLRKOGWSN-LLVKDONJSA-N 372.778 3.839 0 40 FHAB CCc1cccc(NC(=O)c2cc(Br)c(O)c(OC)c2)c1 24577736 ZTMHZRMAYUEZEM-UHFFFAOYSA-N 350.212 3.978 0 40 FHAB C[C@@H](SC(=S)N1CCCC1)C(=O)c1cc(Br)ccc1O 2352649 BNGAUTQLTJQKGF-SECBINFHSA-N 374.325 3.840 0 40 FHAB O=C(c1ccc(C2OCCO2)cc1)c1ccc(Br)c(F)c1 43212658 IVZFMAMVXZEGAQ-UHFFFAOYSA-N 351.171 3.865 0 40 FHAB S=C(NCCC(c1ccccc1)c1ccccc1)NC[C@@H]1CCCO1 2774835 OTUIFBOYUSJOFZ-IBGZPJMESA-N 354.519 3.852 0 40 FHAB O=C1C[C@@H](c2ccc(OCc3ccccc3F)c(Cl)c2)n2ncnc2N1 6528699 NBHVVHAGGVGAJB-HNNXBMFYSA-N 372.787 3.581 0 40 FHAB CC(C)CC(=O)Nc1ccc(S(=O)(=O)Nc2noc3ccccc23)cc1 7363530 XCNPMMMNQLQNFC-UHFFFAOYSA-N 373.434 3.613 0 40 FHAB COc1cc(COC(=O)c2ccc(-n3cccn3)cc2)ccc1OC(F)F 7394601 ZDDVRHVYMFSSPP-UHFFFAOYSA-N 374.343 3.839 0 40 FHAB COc1cc(CNn2cn[nH]c2=S)ccc1OCc1cccc(C)c1 7601208 ONUDLHCKCIIOPY-UHFFFAOYSA-N 356.451 3.580 0 40 FHAB O=c1[nH]c(CN2CCC[C@@H]2Cc2ccccc2)nc2sc3c(c12)CCC3 25440142 UTIZTGYTLNHIPN-OAHLLOKOSA-N 365.502 3.680 0 40 FHAB O=C(Nc1cccc(NS(=O)(=O)c2ccc(F)cc2Cl)c1)C1CC1 12526409 IRZDBTRXNPQQMJ-UHFFFAOYSA-N 368.817 3.628 0 40 FHAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 107567872 JRDIDRDZYAUWKC-QBYUYEEZSA-N 370.522 3.857 0 40 FHAB NC(=O)[C@@H](Sc1nnc(Nc2ccccc2F)s1)c1ccccc1 10428207 JWYFOUXLGKUWNP-ZDUSSCGKSA-N 360.439 3.740 0 40 FHAB CCOc1ccc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 10544150 YMBPGEBSYPXJDS-QGZVFWFLSA-N 361.463 3.666 0 40 FHAB CCOc1ccccc1N1C[C@H](C(=O)Nc2cccc(Cl)c2)CC1=O 8287289 WMXUVUDIQGAZAL-CYBMUJFWSA-N 358.825 3.730 0 40 FHAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 26872881 BUZIYLIIBNPUCK-AWEZNQCLSA-N 367.424 3.605 0 40 FHAB CN(Cc1ccc(F)c(F)c1)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 47933507 WFOAQWUVRJLGCA-UHFFFAOYSA-N 361.373 3.548 0 40 FHAB CSc1cccc(NC(=O)[C@@H]2CC(O)=Nc3nc4ccccc4n32)c1 44891556 QQFKSFNQBQFCFS-HNNXBMFYSA-N 352.419 3.930 0 40 FHAB CC(=O)N[C@@H](C)c1nc2ccccc2n1C[C@H](O)c1ccccc1Cl 58227946 KIDCMXUCDQNIAO-SGTLLEGYSA-N 357.841 3.620 0 40 FHAB O=C(CC1(Cn2cnnn2)CCCCC1)Nc1cccc(C(F)(F)F)c1 44921317 JENGQHBBWUPOTQ-UHFFFAOYSA-N 367.375 3.671 0 40 FHAB CCOc1cc(Cl)c(S(=O)(=O)NCc2cccs2)cc1Cl 27824011 CFAXRLJNLLHJNS-UHFFFAOYSA-N 366.291 3.932 0 40 FHAB COc1ccc(OC)c(CNC(=O)CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1 36390149 SPEVKMSWWCANLF-MOXGXCLJSA-N 363.498 3.797 0 40 FHAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)c1c(F)cccc1F 2427954 NQLVVUFLSPUODA-UHFFFAOYSA-N 374.343 3.884 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)CCn1cnc2sccc2c1=O 11429221 YBNKJMDHXCZMSK-UHFFFAOYSA-N 355.463 3.919 0 40 FHAB Cc1cnc2c(S(=O)(=O)N3CCc4sccc4[C@@H]3C)cccc2c1 29349435 XQQSXBXBUUTZKX-ZDUSSCGKSA-N 358.488 3.913 0 40 FHAB CCCOc1cccc(C(=O)NC(=S)Nc2ccc(C(=O)O)cc2C)c1 20152675 UZUXRWGIRQTFOI-UHFFFAOYSA-N 372.446 3.609 0 40 FHAB CCC1CCC2(CC1)NC(=O)N(CC(=O)c1cc(C)c(C)cc1C)C2=O 2642658 ZOCOFTYUSIDUGO-UHFFFAOYSA-N 356.466 3.685 0 40 FHAB COc1ccc(CN(C)Cn2nc(-c3ccccc3)n(C)c2=S)cc1 2634336 NXJUOAPEYNMLFE-UHFFFAOYSA-N 354.479 3.716 0 40 FHAB COc1ccc(CSc2nnc(SCc3nccn3C)s2)cc1 59337845 SKHHYQKXRNLWKE-UHFFFAOYSA-N 364.521 3.865 0 40 FHAB CC(=O)Nc1cccc(-n2nnnc2SCc2ccc(Cl)cc2)c1 46580296 ICDDSVVSTDOGPS-UHFFFAOYSA-N 359.842 3.566 0 40 FHAB COC(=O)[C@@H](c1ccccc1Cl)N1CCO[C@H](c2ccc(F)cc2)C1 46577515 ZSUHWVDFGFSSPT-ZWKOTPCHSA-N 363.816 3.767 0 40 FHAB O=C(CCn1cnc2sccc2c1=O)Nc1ccc(Cl)c(Cl)c1 12745245 TUFIGADFSJXARD-UHFFFAOYSA-N 368.245 3.794 0 40 FHAB CCc1ccccc1NC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 102301540 XERVJGSKRVAWNZ-KDURUIRLSA-N 374.440 3.957 0 40 FHAB O=C(Nc1cc(F)ccc1F)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 21844201 IUIAGDWUSKJOHI-ZDUSSCGKSA-N 362.351 3.595 0 40 FHAB C(CN1CCN(c2ncccn2)CC1)=C(c1ccccc1)c1ccccc1 68677315 HHXKAMMPSPPARH-UHFFFAOYSA-N 356.473 3.731 0 40 FHAB O=C(CSc1nnc(NC2CCCCC2)s1)N1CCCCCC1 3316266 TYRHZGBPWYOHIL-UHFFFAOYSA-N 354.545 3.777 0 40 FHAB O=C(NNc1ccc(Cl)nn1)N[C@@H](c1cccs1)C1CCCC1 95351437 SOBPXXFXGLCZBD-CQSZACIVSA-N 351.863 3.749 0 40 FHAB CCOc1ccc([C@H]2CCCN2S(=O)(=O)Cc2ccc(F)cc2)cc1 12876354 RLRLIWIVTUXCPS-LJQANCHMSA-N 363.454 3.891 0 40 FHAB COc1ccccc1[C@@H](C)CC(=O)NCC1([C@H](O)c2ccccc2)CC1 84636753 SPUCERKFUMNXPH-HRAATJIYSA-N 353.462 3.819 0 40 FHAB Cc1cc(C)n2nc(SCC(=O)Nc3c(C)cccc3C(C)C)nc2n1 3467363 VYEQVEKIFHWWLG-UHFFFAOYSA-N 369.494 3.904 0 40 FHAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NC2CC2)o1 12927380 UJAWVZDGIXQDBT-WZMLOTFKSA-N 350.418 3.947 0 40 FHAB CSc1nc2nc(C)c(CC(=O)Nc3c(C)cc(C)cc3C)c(C)n2n1 12935873 YIMHCQOTEAEZQF-UHFFFAOYSA-N 369.494 3.570 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)COc1ncnc2sc3c(c12)CCC3 3600080 TUIOLAYQLQFQAX-LBPRGKRZSA-N 365.458 3.537 0 40 FHAB CCN1CCC[C@@H]1CN(Cc1cccnc1)Cc1ccc(OC)c(OC)c1 22931739 KQTSRJVYGXTYMX-HXUWFJFHSA-N 369.509 3.585 0 40 FHAB CC[C@H]1CCCCN1C(=O)CSc1nnc2c(Cl)cc(Cl)cn12 6099526 PRIMJHNEODMGHK-NSHDSACASA-N 373.309 3.919 0 40 FHAB Cc1cc(/C=C/C(=O)N(C)Cc2ccc3c(c2)OCO3)c(C)n1C1CC1 9386101 ZNPQMIJODZLKBU-WEVVVXLNSA-N 352.434 3.840 0 40 FHAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccc3ccccc3c1)C2=O 14093587 OSQQADQWNLTFBZ-LHSJRXKWSA-N 350.418 3.523 0 40 FHAB Cc1cccc(-c2nnc3sc(Cc4ccc5c(c4)OCCO5)nn23)c1 4511672 KKPISFFUQBYJDU-UHFFFAOYSA-N 364.430 3.523 0 40 FHAB CCSc1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1 20111989 OYLJTHDPIYBXSJ-UHFFFAOYSA-N 353.465 3.617 0 40 FHAB O=C(Nc1ccccc1)c1ccccc1NCC(=O)N1CCc2ccccc21 5689342 ZMINCCJGUYNRBK-UHFFFAOYSA-N 371.440 3.940 0 40 FHAB Cc1cccc(NC(=O)Cn2nc(-c3ccccc3)c3c(c2=O)CCCC3)c1 6767378 OXYQLKVTIMZUSC-UHFFFAOYSA-N 373.456 3.736 0 40 FHAB Cc1cccc([C@H]2CC(=O)c3cnc4[nH]n(-c5ccccc5)c(=O)c4c3C2)c1 9484160 ZVLMUJAXKVPPPN-MRXNPFEDSA-N 369.424 3.935 0 40 FHAB COc1ccccc1CCC(=O)N1CCCC[C@H]1c1nc(C(C)C)no1 67350494 MVFCTZFOTPPQEZ-INIZCTEOSA-N 357.454 3.888 0 40 FHAB Cc1cccc(N2CCN(C(=O)[C@H]3Cc4cc(Cl)ccc4O3)CC2)c1C 15585107 VFFLPCKDLOTFBR-HXUWFJFHSA-N 370.880 3.609 0 40 FHAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 7552575 WCNFYMYIMYRHCH-CQSZACIVSA-N 355.221 3.669 0 40 FHAB Cc1nc(-c2ccccn2)nc(N2CCO[C@H](c3cccc(F)c3)C2)c1C 68699386 ZSFYREURLRMUJV-IBGZPJMESA-N 364.424 3.872 0 40 FHAB O=S(=O)(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(Cl)nc1 7986838 LWYQNIWZZJEIDY-HNNXBMFYSA-N 357.262 3.818 0 40 FHAB CC[C@]1(C)CCCN(C(=O)c2nnn(-c3cccc4cccnc34)c2C)C1 81321913 GDICTAOGIQYEOJ-OAQYLSRUSA-N 363.465 3.776 0 40 FHAB O=C(NC[C@@H]1CCCO1)c1cn(Cc2ccccc2)nc1-c1ccccc1 8192391 WJCNUHMTRGENGJ-IBGZPJMESA-N 361.445 3.507 0 40 FHAB C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1ccccc1-c1ccccc1 8231265 KLCXISUELQDETN-ZDUSSCGKSA-N 365.462 3.794 0 40 FHAB O=C(CSc1nnc(-c2ccccc2F)o1)Nc1cccnc1Cl 8334876 RHHGRGATUXDSQD-UHFFFAOYSA-N 364.789 3.655 0 40 FHAB O=C(Nc1cccnc1)c1c(NC(=O)C(F)(F)F)sc2c1CCCC2 409119619 TVZYRZCIZMGPSR-UHFFFAOYSA-N 369.368 3.775 0 40 FHAB O=C(COc1ccccc1)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 9764293 HCUYWNSUQZONJY-IBGZPJMESA-N 359.853 3.927 0 40 FHAB CC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1nc(N)c2ccsc2n1 9737270 MYHLTGHUNLJWQP-SNVBAGLBSA-N 372.475 3.595 0 40 FHAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1O)c1cccc2cccnc12 72301038 KOBTVFQBRVTBSX-UHFFFAOYSA-N 368.336 3.760 0 40 FHAB CO[C@@H]1CCC[C@@H]1OC(=O)Cc1c[nH]c2cccc(Br)c12 89409556 USAHPMXTHDZXFJ-KGLIPLIRSA-N 352.228 3.584 0 40 FHAB CCN(CC)Cc1ccc(CNC(=O)[C@H](C)n2cnc3ccccc32)cc1 89968999 QJPXIANJMPZUHN-KRWDZBQOSA-N 364.493 3.756 0 40 FHAB COc1cc(C)c(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc1OC 409043319 DXBYBRQKXCEWGW-WJDWOHSUSA-N 368.458 3.617 0 40 FHAB CCOc1ccc(NC(=O)CCC(=O)c2ccc(OC)c(OC)c2)cc1 27340059 LAOYTHRMYSELMU-UHFFFAOYSA-N 357.406 3.704 0 40 FHAB O=C(NCc1ccco1)c1ccc2c(c1)C[C@H](c1ccc(F)cc1)OC2=O 36635966 RCLPLKYQOHGIKV-LJQANCHMSA-N 365.360 3.803 0 40 FHAB COc1ccc(CCCNC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1OC 219070635 RALAZHWZPPTCJI-KRWDZBQOSA-N 371.477 3.837 0 40 FHAB COc1cccc(CCCNC(=O)C2CCN(c3ccc(C)cc3)CC2)c1 219861054 FUCVEVBBBVNYDZ-UHFFFAOYSA-N 366.505 3.969 0 40 FHAB Cc1sc(C(=O)O)cc1CN(C)[C@H](C)c1ccc([S@@](C)=O)cc1 563892618 KIVKARIHDUXPPI-QVQLBTGDSA-N 351.493 3.685 0 40 FHAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1 223835470 YQWJTRQZVWFHQS-UHFFFAOYSA-N 374.245 3.889 0 40 FHAB CCCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1c(F)cccc1Cl 40486281 XMEJPWHWUGXGCR-OAHLLOKOSA-N 364.808 3.703 0 40 FHAB O=C(Nc1cnc(-c2ccccc2)s1)[C@H]1CCO[C@@H]1c1cccnc1 567044470 JXDXPPYBPIDQFL-DOTOQJQBSA-N 351.431 3.921 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 224180588 PRLNDLVMNKEOSV-OAQYLSRUSA-N 366.505 3.789 0 40 FHAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(N3CCOCC3)cc2)cc1C 223440871 MUNDELCJPMJSRP-SFHVURJKSA-N 352.478 3.939 0 40 FHAB CC(C)(Oc1nn(-c2ccccc2)cc1Cl)C(=O)Nc1nccs1 227153332 REUKKXTWHNRDIJ-UHFFFAOYSA-N 362.842 3.778 0 40 FHAB CC1CCN(C[C@H](O)COCC(c2ccccc2)c2ccccc2)CC1 40373057 SSVNURBAVCWUAX-QFIPXVFZSA-N 353.506 3.928 0 40 FHAB O=C1CCCN1Cc1ccccc1CNC(=S)Nc1ccccc1Cl 45704488 TWVBRVAUVCKTOK-UHFFFAOYSA-N 373.909 3.949 0 40 FHAB Cc1cccc([C@H](NS(=O)(=O)c2c(C)noc2C)c2ccccc2)c1 224771972 CLCKAWKIJASZOE-GOSISDBHSA-N 356.447 3.668 0 40 FHAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1 223747210 GDISJFZYEDQYLE-MSOLQXFVSA-N 350.447 3.595 0 40 FHAB COc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(OC)c1 222562484 QLKRUNSLKXAZMQ-UYHISHBKSA-N 355.463 3.688 0 40 FHAB O=C(Nc1nc(-c2cccs2)cs1)[C@H]1CC(=O)N(c2ccccc2)C1 45715929 LJAFNEGPWXJLFN-LBPRGKRZSA-N 369.471 3.863 0 40 FHAB Cc1ccc(-c2nc(CC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cs2)cc1 85432538 QAPUWSJJOIQFEX-LAUBAEHRSA-N 370.518 3.815 0 40 FHAB CC(=O)N1CCC2(CC1)C[C@@H](NCc1ccsc1)c1ccccc1O2 96079709 LOLYXKQYFQZMGM-GOSISDBHSA-N 356.491 3.743 0 40 FHAB CN1c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2C(=O)N2CCCC[C@@H]21 97112294 YPTKKCRZSJLABB-GOSISDBHSA-N 369.852 3.994 0 40 FHAB O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(Br)c(F)c1 95067890 ZMCHWSROHYVPBP-UHFFFAOYSA-N 366.158 3.667 0 40 FHAB Cn1nc(CNC(=O)Nc2cccc(C(F)(F)F)c2)c2c1CCCC2 96099191 LZLHKTATMOPRTF-UHFFFAOYSA-N 352.360 3.639 0 40 FHAB Cc1nccn1CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 23368522 DRGFELCGILXUCC-UHFFFAOYSA-N 357.417 3.683 0 40 FHAB Cc1ccnc(NC(=O)CCCN2C(=O)CC(C)(C)c3ccccc32)c1 96183623 JVSMUTHGRKYTPB-UHFFFAOYSA-N 351.450 3.823 0 40 FHAB Cc1ccc(Nc2nc([C@@H]3CCCN(Cc4nccn4C)C3)cs2)nc1 257253599 JZNMMVWRFQTZHU-OAHLLOKOSA-N 368.510 3.703 0 40 FHAB CO[C@](C)(C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@H](C)C2)cc1)C1CC1 260812506 DOECGXLOFRJRNQ-HOIFWPIMSA-N 374.525 3.797 0 40 FHAB CC[C@@H](C)n1ncc(C(=O)N[C@@H]2CCCc3nc(O)ccc32)c1C1CC1 270463717 FYUWJDRVWPWETF-SJKOYZFVSA-N 354.454 3.640 0 40 FHAB CCC(=O)Nc1ccc(C)c(NC(=O)N2Cc3cccc(OC)c3C2)c1 626285389 GKKUQXPZOREMHH-UHFFFAOYSA-N 353.422 3.900 0 40 FHAB Cc1ccc(Cl)c(OC[C@]2(O)CCCN(Cc3ccc(O)cc3)C2)c1 585272990 MDQMKQWUVJGABX-FQEVSTJZSA-N 361.869 3.760 0 40 FHAB Brc1cnc(N2CCC(c3ccc4cccnc4n3)CC2)nc1 656213879 HOUNLVQENZEIGU-UHFFFAOYSA-N 370.254 3.566 0 40 FHAB O=C(NCC1CCN(CC(F)(F)F)CC1)C1(c2cccs2)CCCC1 1775966119 QKSWYUWBSIRFRO-UHFFFAOYSA-N 374.472 3.950 0 40 FHAB CCCOc1cccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2C)c1 5864927 PQMZBRJSEWKIRV-UHFFFAOYSA-N 372.446 3.609 0 40 FHAB CC(=O)c1ccc(OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 11060134 WFNLTHSGAAWJAW-UHFFFAOYSA-N 363.417 3.709 0 40 FHAB C[C@@H]1CCC[C@H](NC[C@@H](O)COCCOc2ccc(Cl)cc2)[C@@H]1C 12549378 OSISLWGQAJWPLM-LFEHRJTNSA-N 355.906 3.511 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1Br 14006542 HGRVXWATBGUVMT-NSHDSACASA-N 350.212 3.864 0 40 FHAB Cc1[nH]c(NC(=N)Nc2ccccc2)nc(=O)c1Cc1ccc(Cl)cc1 17075527 RZMWLYAHMOMGLW-UHFFFAOYSA-N 367.840 3.781 0 40 FHAB Cc1ccccc1-c1ncc(CN(C)Cc2cc(=O)[nH]c3ccccc23)cn1 19237535 GVAAXUJRCJGKBU-UHFFFAOYSA-N 370.456 3.926 0 40 FHAB COCC1(C2CCC2)CN(C(=O)Nc2nn(C3CCCCC3)cc2C)C1 666668906 LNGOXPDHXKPGJJ-UHFFFAOYSA-N 360.502 3.977 0 40 FHAB COc1cccc([C@H]2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)C[C@H]2O)c1 19563969 WGAINASHQCDRLU-NWXPRMMHSA-N 369.505 3.588 0 40 FHAB C[C@@H](OC(=O)Cc1ccc2ccccc2c1)c1nc2ccccc2c(=O)[nH]1 5917636 DTDRHQOKTHFTQQ-CQSZACIVSA-N 358.397 3.923 0 40 FHAB O=C(COc1cccc(Oc2ccccn2)c1)Nc1ccc(Cl)cn1 24934447 FNWPXZDMBKWOQD-UHFFFAOYSA-N 355.781 3.940 0 40 FHAB O=C(NC[C@@H](c1ccco1)N1CCSCC1)c1cc2ccccc2o1 253395035 BNYLZHIZXBITLW-HNNXBMFYSA-N 356.447 3.546 0 40 FHAB O=C(C1CC(F)(F)C1)N1CC(c2ncn3ccc(-c4ccoc4)cc23)C1 1565554492 SRAOQUOTOVYJKE-UHFFFAOYSA-N 357.360 3.565 0 40 FHAB COc1ccccc1[C@H]1SCCN1S(=O)(=O)c1ccc(C)cc1C 887287 ZVFZLBZUUOHPJD-GOSISDBHSA-N 363.504 3.748 0 40 FHAB COc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2OC)c1 2723153 PLHGYWUFBVZLHW-UHFFFAOYSA-N 369.446 3.620 0 40 FHAB COc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2C)CC1=O 4033578 CBZXQXNRQRDXJL-LBPRGKRZSA-N 355.825 3.756 0 40 FHAB CC(=O)c1cccc(NC(=O)c2cccn(Cc3ccc(C)cc3)c2=O)c1 4940388 HSSQVTPAHSPLDR-UHFFFAOYSA-N 360.413 3.660 0 40 FHAB CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc21 17247924 KDPKRFVCDHIWEU-UHFFFAOYSA-N 372.490 3.793 0 40 FHAB COc1ccc(CC(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc1C 38510849 OWNDGANZOVPVNM-UHFFFAOYSA-N 361.445 3.859 0 40 FHAB Cn1cc([C@H]2CN(C(=O)Cc3ccc(Cl)cc3)Cc3ccccc32)cn1 575619101 LXPLOGSUDNIPCL-HXUWFJFHSA-N 365.864 3.790 0 40 FHAB O=C(C1=Cc2ccccc2OC1)N1CCn2cccc2[C@H]1c1ccccc1 40059727 AMFSHKGPUCZTMW-JOCHJYFZSA-N 356.425 3.896 0 40 FHAB CC[C@H](NS(=O)(=O)Cc1ccccc1)c1ccccc1OC(F)F 30371444 PORCKSLAARFLEL-HNNXBMFYSA-N 355.406 3.859 0 40 FHAB O=C1CCCN1CCc1nc(-c2cccc(Br)c2)cs1 30447749 ACOKTPMDTROTNT-UHFFFAOYSA-N 351.269 3.738 0 40 FHAB Cc1ccc(-n2c3c(c(=O)[nH]c2=S)CN(Cc2ccccc2)CN3)cc1 20567536 RKNJUMVCJQWXKV-UHFFFAOYSA-N 364.474 3.589 0 40 FHAB CC(C)c1noc(-c2ccc(OCC(=O)NCc3ccc(F)cc3)cc2)n1 32578797 PCIJNEINECACBJ-UHFFFAOYSA-N 369.396 3.694 0 40 FHAB Cc1cccc(N2CCN(CC[C@H](C)NC(=O)C3CCCCC3)CC2)c1 32579750 GPJFZQZZKJFFOC-IBGZPJMESA-N 357.542 3.592 0 40 FHAB COC(=O)c1ccc2nc(C)cc(NC(=O)c3cccc(OC)c3)c2c1 32606039 IGRDEIMEQNQMAF-UHFFFAOYSA-N 350.374 3.591 0 40 FHAB O=C1N[C@]23c4ccccc4CC[C@]2(C1=O)c1ccccc1N3c1ccccc1 103108175 RXHIGRINJNEEOG-RPWUZVMVSA-N 366.420 3.574 0 40 FHAB COc1ccc(Nc2nc(NC[C@@H]3CCCO3)c3ccccc3n2)cc1 641557 BFNMAAGYASYEHL-INIZCTEOSA-N 350.422 3.973 0 40 FHAB CCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(OC)cc2)CC1 819233 REVNXUJMVLTRSQ-UHFFFAOYSA-N 366.505 3.956 0 40 FHAB O=C(O)CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cccs1 869006 WOFDVMZHISOGRV-AWEZNQCLSA-N 362.838 3.944 0 40 FHAB CC1(C)Cc2c(c(-c3ccco3)nc3sc4c(NN)ncnc4c23)CO1 1259015 GJUMHUVCIXFCFV-UHFFFAOYSA-N 367.434 3.636 0 40 FHAB COC(=O)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 1594570 GBNGNTUQPHZKKX-NRFANRHFSA-N 373.452 3.719 0 40 FHAB CCCC[C@@H](CC)C(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC 2085445 JWBOXGYTHZFQIB-LLVKDONJSA-N 355.456 3.785 0 40 FHAB CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1OC 2360941 IFNLVECWWFLDHI-DFBJGRDBSA-N 363.394 3.782 0 40 FHAB CCOc1ccc(-c2nn3c(-c4cccc(OC)c4)nnc3s2)cc1 2393935 KVVCXGLXAAEWTC-UHFFFAOYSA-N 352.419 3.927 0 40 FHAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(NCCO)ncnc32)cc1 2715202 TWDBFOLKYHMAKS-UHFFFAOYSA-N 374.444 3.890 0 40 FHAB O=C(COC(=O)c1cccc(Cl)c1)Nc1ccccc1OC(F)F 3283926 MHAVIYXSXIOJER-UHFFFAOYSA-N 355.724 3.737 0 40 FHAB CN(C)[C@H](CNC(=O)Cc1csc(-c2ccccc2)n1)c1ccccc1 3310035 WHWQLYTWLXBJBU-LJQANCHMSA-N 365.502 3.772 0 40 FHAB C[C@@H](Nc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc2c(c1)OCO2 3327952 JVIOEASQGWVBAA-SNVBAGLBSA-N 352.312 3.873 0 40 FHAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)N2CCc3ccccc3C2)cc1 3392059 VUPRZQKCBKMMHJ-AWEZNQCLSA-N 354.475 3.711 0 40 FHAB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1 3454155 IPADQFUMWWGLDG-NSHDSACASA-N 352.356 3.572 0 40 FHAB Cc1ccc(NC(=O)[C@@H](Sc2nnnn2C)c2ccccc2)cc1Cl 3513036 DCFKYNUWDQCNMG-HNNXBMFYSA-N 373.869 3.644 0 40 FHAB CC[C@@H](C)c1ccc(NC(=O)CN(C)CC(=O)Nc2cccc(F)c2)cc1 3541773 HCWNOWCMTQTOED-OAHLLOKOSA-N 371.456 3.848 0 40 FHAB C[C@H](c1ccccc1)n1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O 4165933 FWIXDZZFGBCBAT-CYBMUJFWSA-N 350.809 3.845 0 40 FHAB NC(=O)O[C@@H]1CCN(CCCC(=O)c2ccc(F)cc2)[C@H]2CCCC[C@@H]21 4212454 RVPQELWEPXXXPC-JENIJYKNSA-N 362.445 3.517 0 40 FHAB in-man CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(C)=O)cc2c1 4231115 LRVVSQPGEJKPPS-UHFFFAOYSA-N 364.445 3.784 0 40 FHAB Cc1cccc(OC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)c2)c1 4544936 NSPZQBGWTQVWKW-VZJWBNGJSA-N 373.408 3.526 0 40 FHAB Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2nc(C)cs2)n1 4590785 HGPKFFMBDJPHID-UHFFFAOYSA-N 356.476 3.948 0 40 FHAB Cc1cccc(Oc2ccc3c(c2)cc(C(=O)NCCN(C)C)n3C)c1 4749240 GAFICYAKUWYCMO-UHFFFAOYSA-N 351.450 3.570 0 40 FHAB CCc1cc2cc3c(cc2nc1SCC(=O)NC(C)(C)C)OCCO3 4849574 JYAQFCPKGIQXPA-UHFFFAOYSA-N 360.479 3.575 0 40 FHAB CCCSc1nc2c(c(=O)[nH]1)[C@H](c1c(F)cccc1Cl)CC(=O)N2 4944263 DMQTWGDDKHWJTI-QMMMGPOBSA-N 367.833 3.539 0 40 FHAB Cc1ccsc1C(=O)OCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 5110334 HSXWIUYAOSDVMI-XXWNAHEMSA-N 361.507 3.934 0 40 FHAB C[C@H](NC(=O)c1cccc(I)c1)c1cccs1 5579007 VLCZECOKOANPST-VIFPVBQESA-N 357.216 3.844 0 40 FHAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccccc1F 6218680 XUHVBVXXARTNRH-UHFFFAOYSA-N 360.388 3.821 0 40 FHAB COc1c(Cl)cc(C(=O)N[C@@H](C)c2nnc3ccccn23)cc1Cl 6719901 YKEDEIYZYQNBNZ-VIFPVBQESA-N 365.220 3.536 0 40 FHAB COc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1OC 7056294 KJXGJIWESIKIKL-UHFFFAOYSA-N 362.234 3.811 0 40 FHAB Cc1nc2ccc(N[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)cc2s1 7242035 BJOZWGWWLZIFHL-JTQLQIEISA-N 355.419 3.773 0 40 FHAB CCc1ccc2c(COC(=O)c3cccnc3SC)cc(=O)oc2c1 7652495 URKNHRHSXVKAFV-UHFFFAOYSA-N 355.415 3.829 0 40 FHAB CCn1c(S[C@H]2CCOC2=O)nc2sc(-c3ccccc3)cc2c1=O 7786345 CZQMUGHSEPTMCN-ZDUSSCGKSA-N 372.471 3.553 0 40 FHAB COc1cc2ccccc2cc1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 8014215 KOIUMFPJLDSPDW-LBPRGKRZSA-N 362.385 3.820 0 40 FHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1 8414932 BHGMEMWQOXMZKL-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB COCCNCc1cc(Br)ccc1OCc1ccccc1F 8469123 UHJXGCQXUOLWPH-UHFFFAOYSA-N 368.246 3.903 0 40 FHAB C[C@H](Sc1nnc(N2CCCCC2)n1C1CC1)C(=O)Nc1ccccc1 8704104 AZMZVYGJPKXQHI-AWEZNQCLSA-N 371.510 3.723 0 40 FHAB COc1cc(C=O)ccc1OCCCSc1nnc(C(C)(C)C)o1 8731642 OJAGBJFTRZWONU-UHFFFAOYSA-N 350.440 3.749 0 40 FHAB COc1ccc(C(=O)N[C@H](C)c2ccccc2Br)c(OC)c1 9053564 DJUCMMVTBIGSQP-LLVKDONJSA-N 364.239 3.957 0 40 FHAB CCNC(=O)c1cccc(NC(=O)Cc2c(Cl)cccc2Cl)c1 9377610 YMASZGBOECUXKE-UHFFFAOYSA-N 351.233 3.924 0 40 FHAB CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2Cl)CC1 9471037 XVBBVEJRVVSCCW-UHFFFAOYSA-N 364.276 3.998 0 40 FHAB CC(=O)Oc1cccc2cc(-c3nc(-c4ccccc4C)no3)c(=O)oc12 9941201 HGUFXWPUELRMBV-UHFFFAOYSA-N 362.341 3.744 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)COc1ccccc1Cl 10473076 ISTVPGNUIYZYIK-UHFFFAOYSA-N 360.841 3.887 0 40 FHAB CS(=O)(=O)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 10512191 KQYMCKXKWCSLEM-UHFFFAOYSA-N 365.454 3.861 0 40 FHAB O=C(CCn1ccc2ccccc21)N[C@@H](Cc1ncc[nH]1)c1ccccc1 10644403 QXACVIRKMQIRJZ-IBGZPJMESA-N 358.445 3.855 0 40 FHAB COc1cc(NC(=O)CCSc2ccccc2)ccc1N1CCCC1=O 11259118 BYTHNGHHPSYOER-UHFFFAOYSA-N 370.474 3.943 0 40 FHAB Cn1/c(=N\C(=O)c2cccc(Br)c2)sc2cc(F)ccc21 11852997 SIBPZYILYLTOAQ-OBGWFSINSA-N 365.227 3.883 0 40 FHAB O=C(Cn1ccnc1-c1ccccc1)N[C@H](c1ccccc1)c1cccnc1 12116826 BTJMFYBXRXGLOP-JOCHJYFZSA-N 368.440 3.851 0 40 FHAB Cc1cccc(OCCNC(=O)c2c[nH]c(=S)n2-c2ccccc2)c1 12509880 NZTHYTSHWADEBB-UHFFFAOYSA-N 353.447 3.652 0 40 FHAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CC(c2ccccc2F)=NO1 12848972 MTZHBVRQRDWBGF-HNNXBMFYSA-N 368.286 3.856 0 40 FHAB CN(C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 12942239 FXTWFHAXCIXZIW-LJQANCHMSA-N 366.461 3.648 0 40 FHAB COc1ccc(/C=C/C(=O)NCCCc2ccc(C)cc2)c(OC)c1OC 13648521 TVNMSTJSHOMUIB-WYMLVPIESA-N 369.461 3.783 0 40 FHAB CN(C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 13668379 LEAIPEVBNAGFKC-UHFFFAOYSA-N 366.442 3.764 0 40 FHAB O=C(c1ccco1)N1CCc2ccc(NS(=O)(=O)C3CCCCC3)cc21 13696609 DSNLPABOYHNSMQ-UHFFFAOYSA-N 374.462 3.557 0 40 FHAB Cc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1C 13995912 XMQABTPGGVPWGV-UHFFFAOYSA-N 352.434 3.557 0 40 FHAB Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(-n3cccn3)cc2)c1C 14230599 QOLPMSGQFGCTLC-UHFFFAOYSA-N 369.490 3.584 0 40 FHAB CCOc1ccc2oc(C(=O)NC[C@H]3COc4ccccc4O3)c(C)c2c1 14240820 OBFOVYDZBAPLBB-HNNXBMFYSA-N 367.401 3.710 0 40 FHAB COC(=O)C[C@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)c1ccccc1 16182034 DYAVOWLJQCREAC-KRWDZBQOSA-N 371.820 3.536 0 40 FHAB C[C@H]1C=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccccc4)c3)C(=O)[C@H]12 18241246 GXYFNJSDPGWKNK-GDIGMMSISA-N 360.413 3.641 0 40 FHAB Cc1cccc(-c2cc(CNC[C@@H](C)c3ccccc3)c3nnnn3c2)c1 19235289 FLLZCFRGKBHFRY-QGZVFWFLSA-N 357.461 3.993 0 40 FHAB CC(C)Oc1cccc(CN2CC[C@]3(CCc4ccccc4C(=O)N3)C2)c1 19450854 LQGTXSMUTIVOCI-HSZRJFAPSA-N 364.489 3.795 0 40 FHAB CCN(C(=O)c1cc(-n2nc(C)cc2C)ccc1Cl)C1CCN(C)CC1 19666464 UOXZCSPRTJYSML-UHFFFAOYSA-N 374.916 3.699 0 40 FHAB CC(C)(C(=O)N1CCC[C@](C)(C(=O)NC2CCCC2)C1)c1ccc(F)cc1 19746777 ROBHFLDMEXCTBP-QFIPXVFZSA-N 374.500 3.791 0 40 FHAB c1cnc(Sc2nc3ccccc3nc2Sc2ncccn2)nc1 20032167 FXJPTOKFKGUNQU-UHFFFAOYSA-N 350.432 3.512 0 40 FHAB O=C(NCc1ccccc1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 20933878 PTTKKGKFFGAUKI-UHFFFAOYSA-N 360.392 3.732 0 40 FHAB CCN(CC)C1=NC(=O)[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S1 22195136 NCVUMSMSVAYUED-LBPRGKRZSA-N 374.293 3.662 0 40 FHAB O=C(Nc1ccc(N2CCOCC2)nc1)C1(c2ccc(Cl)cc2)CCC1 24114636 HYTZTUWBBUEWNC-UHFFFAOYSA-N 371.868 3.632 0 40 FHAB O=C(COc1ccccc1Cl)Nc1cnn(Cc2ccc(F)cc2)c1 28226761 PQDQVXZPSQBDGP-UHFFFAOYSA-N 359.788 3.741 0 40 FHAB CC[C@@H](C)c1ccccc1NC(=O)/C=C/c1ccc(OCC(N)=O)cc1 32808607 WEILGJPRSKJCHE-NRMKIYEFSA-N 352.434 3.716 0 40 FHAB NC(=O)CCN(C(=O)COc1ccccc1-c1ccccc1)c1ccccc1 32843471 FGCOLTJODAHUGH-UHFFFAOYSA-N 374.440 3.641 0 40 FHAB COc1cc(C(=O)NCCCc2cn(-c3ccccc3)nc2C)ccc1C 32911565 CKMXJEFLMDFBDN-UHFFFAOYSA-N 363.461 3.860 0 40 FHAB Cc1ccn2c(=O)cc(COc3cccc(NC(=O)C(C)(C)C)c3)nc2c1 33268610 IQPCWXHGFRNXRL-UHFFFAOYSA-N 365.433 3.567 0 40 FHAB CCc1ccc([C@@H](CNC(=O)c2ccc(C)c(C)c2)N2CCOCC2)cc1 36097980 POXKJKASDSNFNU-JOCHJYFZSA-N 366.505 3.669 0 40 FHAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)Cc2ccccc2Cl)C1 40017182 NWFCXQJYMXREQE-MRXNPFEDSA-N 356.853 3.760 0 40 FHAB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)/C=C/c1cccc(Cl)c1 40069777 AQSMSCQPVQUJCK-GCOZOQQASA-N 354.837 3.748 0 40 FHAB O=C(CCc1nc(-c2ccccc2Cl)no1)N1CCc2ccccc21 41184724 AZIKDGXTDXKYLI-UHFFFAOYSA-N 353.809 3.912 0 40 FHAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)Nc1ccc2c(c1)OCO2 41184953 TYRBAROZQXDEAR-UHFFFAOYSA-N 371.780 3.690 0 40 FHAB COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1OC 43030238 RRYNBELUATUYNW-HOTGVXAUSA-N 357.450 3.965 0 40 FHAB C[C@H]1CCCCN1CCCCNC(=O)c1cc(F)ccc1Br 46989775 CFGZQYWWNQEZEE-ZDUSSCGKSA-N 371.294 3.973 0 40 FHAB Cc1nc2ccc(C(=O)Nc3ccc(-n4cccn4)c(F)c3)cc2nc1C 47420036 MUEZMTMGTUEVJM-UHFFFAOYSA-N 361.380 3.824 0 40 FHAB O=C(Cc1ccccc1)Nc1cc(NC(=O)NCc2ccoc2)ccc1F 47627948 IJVJXXUJJVOTSJ-UHFFFAOYSA-N 367.380 3.922 0 40 FHAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccccc2SC(F)(F)F)on1 47769722 SVNULAHIKKAXCP-VIFPVBQESA-N 374.340 3.779 0 40 FHAB COC(=O)C[C@@H](NC(=O)c1ccc(COC(C)C)cc1)c1ccccc1 48288567 FOEDWUYYICZDLL-LJQANCHMSA-N 355.434 3.646 0 40 FHAB CC(=O)c1cccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)c1 48354465 LMJHFWIKZIRTHV-UHFFFAOYSA-N 368.414 3.877 0 40 FHAB COc1ccc(N2C(=O)C[C@H](c3ccccc3)c3sc(=O)n(C)c32)cc1 49550650 KJBVSQLZCYRWID-MRXNPFEDSA-N 366.442 3.656 0 40 FHAB Cc1ccc(-n2nnc(C(=O)NCc3ccc(Cl)cc3)c2C)cc1C 51318244 PURODAPNUFMMRM-UHFFFAOYSA-N 354.841 3.776 0 40 FHAB Cc1sc2nc([C@@H](C)OC(=O)C=C(C3CC3)C3CC3)[nH]c(=O)c2c1C 52151304 QJUNSYRQMNCTBK-SNVBAGLBSA-N 358.463 3.952 0 40 FHAB CN(Cc1noc(C(C)(C)C)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 52638721 YNUMQJMBARDYML-ZFWWWQNUSA-N 370.280 3.764 0 40 FHAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)NC2CCCCC2)c(=O)c1C 57527879 DXXHZKQUPMQACV-UHFFFAOYSA-N 373.884 3.629 0 40 FHAB Cc1ccc(-c2[nH]ncc2CN2CCN(c3ccccc3F)CC2)cc1 57547327 BAHPLNNFRDBHMH-UHFFFAOYSA-N 350.441 3.846 0 40 FHAB Cc1csc([C@](O)(CC(=O)N(C)Cc2ccccc2C)C(F)(F)F)n1 58223128 JYZYBOKHTOPTSY-MRXNPFEDSA-N 372.412 3.559 0 40 FHAB Cc1nnc(SC[C@H](O)COc2ccc(C(C)(C)C)cc2)n1C1CC1 58440036 KOQHJNIBJUDIJK-MRXNPFEDSA-N 361.511 3.751 0 40 FHAB Cn1nc(C(C)(C)C)cc1-c1nn2c(Cc3ccc(F)cc3)nnc2s1 61718216 FGPHKMRBBNLZSB-UHFFFAOYSA-N 370.457 3.614 0 40 FHAB Cc1noc(C2CCN(C(=O)NCc3csc4ccccc34)CC2)n1 61864794 SLMCXRUHTMYFRK-UHFFFAOYSA-N 356.451 3.682 0 40 FHAB O[C@@]1(CNCc2c[nH]nc2-c2ccc(F)cc2)CCCc2ccccc21 66906340 QOASFOLCBBHXKE-OAQYLSRUSA-N 351.425 3.530 0 40 FHAB O=C(NCc1cccs1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 67036336 VFRZLFAEAXQAJC-HNNXBMFYSA-N 354.834 3.824 0 40 FHAB Cc1cc(N2CCCC2)nc2sc3c(NCCCN(C)C)ncnc3c12 71283766 HPDFBBBFHKCNLX-UHFFFAOYSA-N 370.526 3.512 0 40 FHAB O=C(Cc1cccnc1)N1CCC[C@H]1c1n[nH]cc1-c1ccccc1F 72380321 ACDQGJZVCGELPG-SFHVURJKSA-N 350.397 3.517 0 40 FHAB COc1ccc(N2CCCC2=O)c(NC(=O)c2cc3ccccc3n2C)c1 72406270 KWIPGSMMXSYKOL-UHFFFAOYSA-N 363.417 3.566 0 40 FHAB Cc1csc(NC(=O)NCCc2nc3ccccc3n2C(F)F)n1 75103839 DRIGLNWEZIVOCM-UHFFFAOYSA-N 351.382 3.561 0 40 FHAB CNC(=S)N1N=C(c2cccc(C)c2)C[C@@H]1c1ccc2nccnc2c1 75109554 YXTOKODSTNDDTN-LJQANCHMSA-N 361.474 3.594 0 40 FHAB CCN(C)[C@@H](C(=O)Nc1nnc(-c2ccsc2)s1)c1ccccc1 95349677 JZPYXHQGGWYTBT-CQSZACIVSA-N 358.492 3.898 0 40 FHAB CCCCC[C@H](CCOC(=O)[C@@H](C)SC)OC(=O)[C@@H](C)SC 95440739 PKVIDKUWRLEMQG-MGPQQGTHSA-N 350.546 3.915 0 40 FHAB COC(=O)c1ccc(CN2CCC(c3nnc(-c4ccsc4)o3)CC2)o1 96024390 COAGCXOEZWVRBG-UHFFFAOYSA-N 373.434 3.557 0 40 FHAB CC1(C)CC(O)CC(C)(C)N1C[C@@H](O)CO[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C 101214119 NVKSSTCWFDFJDJ-PBWVOLNLSA-N 367.574 3.593 0 40 FHAB Cc1ccc2c(c1)nnn2S(=O)(=O)c1cc(C)c(Cl)cc1Cl 107347730 OOEVMHAFENUVGO-UHFFFAOYSA-N 356.234 3.592 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)N[C@H](C)c1cc(OC)ccc1OC 175126104 WTYIXQLZCXLIKQ-DYVFJYSZSA-N 361.413 3.878 0 40 FHAB Cc1noc(-c2sccc2NC(=O)CSc2nc3ccccc3o2)n1 206666069 LYHLERUSZCAFJA-UHFFFAOYSA-N 372.431 3.979 0 40 FHAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 225782394 GOJJVEIVFIHWQA-IWAFAHMVSA-N 364.445 3.664 0 40 FHAB CCOC(=O)c1cc(NC(=O)[C@@](C)(CC(C)C)OC)ccc1OCC 225792786 PUQKVDMLJDVQBH-LJQANCHMSA-N 351.443 3.652 0 40 FHAB COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C)c(C)c3)CC2)cc1 244259966 WMAJSBUQSGWEAF-UHFFFAOYSA-N 366.461 3.803 0 40 FHAB O=C(c1ccccc1F)N1CCC[C@@H]1c1ccc(CN2CCCC2)cn1 257202006 AKBMXKYDWADSBE-HXUWFJFHSA-N 353.441 3.794 0 40 FHAB CCc1nnc(Nc2cccc([C@@H]3CN(CC(C)(C)C)CCO3)n2)s1 257273463 NGRDRRSWRLCLHA-AWEZNQCLSA-N 361.515 3.659 0 40 FHAB CCc1nc2c(s1)[C@@H](N(C)C(=O)Cn1cc3ccccc3n1)CCC2 330062000 OTVZIOMYBLCFJE-INIZCTEOSA-N 354.479 3.591 0 40 FHAB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1ccc(O)cc1O 408840332 APSHFGCJDUQCSU-WLRTZDKTSA-N 350.157 3.749 0 40 FHAB CCOc1ccc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)c(OCC)c1 409077420 FPQZJTIFLHDNSB-ATVHPVEESA-N 358.438 3.709 0 40 FHAB O=C(CN1C(=O)S/C(=C/c2ccco2)C1=O)Nc1ccccc1Cl 409237786 JLYGHLFKLQVXOF-MDWZMJQESA-N 362.794 3.608 0 40 FHAB O=C(c1ccn(-c2ccc(F)cc2F)n1)N1CCC[C@H](c2ccncc2)C1 514633730 KLYGYRAYJFMUDL-HNNXBMFYSA-N 368.387 3.565 0 40 FHAB O=C(N[C@@H](CO)c1cccc(Br)c1)c1ccc2c(c1)CCC=C2 573116148 QMDLHQQALHPUJJ-SFHVURJKSA-N 372.262 3.872 0 40 FHAB OC[C@@]1(c2ccccc2)CCCN(CCCc2ccc3c(c2)CCO3)C1 585080714 YICGTDYXOYYCJA-HSZRJFAPSA-N 351.490 3.580 0 40 FHAB Cc1ccc(C(=O)N2CCCc3cc(C(=O)OC(C)(C)C)ccc32)cn1 598856465 WRHHZMBDHSLAOV-UHFFFAOYSA-N 352.434 3.938 0 40 FHAB COc1ccc(NS(=O)(=O)c2cc(C)c(Br)cc2C)cc1 604858343 ASZWPPBTWDLBGF-UHFFFAOYSA-N 370.268 3.875 0 40 FHAB CC1CCN(c2cccc(NC(=O)c3cnn(C)c3C(F)(F)F)c2)CC1 606791520 VUXVYIYVKLIVKV-UHFFFAOYSA-N 366.387 3.928 0 40 FHAB Nc1c(C(=O)N2CCC[C@H](Nc3ccccc3)C2)sc2ncccc12 635709544 NZVPRAJUWNEOKC-AWEZNQCLSA-N 352.463 3.595 0 40 FHAB CCOc1ccc(CNC(=O)N2CCC([C@@H]3CCCCO3)CC2)cc1F 660597011 LKNZLFGBUINSJA-SFHVURJKSA-N 364.461 3.715 0 40 FHAB Cc1oc2ccccc2c1CCNC(=O)N1Cc2c[nH]nc2CC(C)(C)C1 663194585 AJIHJMJRQNLFJQ-UHFFFAOYSA-N 366.465 3.801 0 40 FHAB Cc1cccc(-c2c(NC(=O)Cn3ccc(C(F)(F)F)n3)n[nH]c2C)c1 1648340605 JWTPLPXFGNRXIA-UHFFFAOYSA-N 363.343 3.548 0 40 FHAB O=C(c1sccc1F)N1CCC[C@]2(CCCN(Cc3cccnc3)C2)C1 2056223294 DQUUBRVYOAYOMW-FQEVSTJZSA-N 373.497 3.801 0 40 FHAB CC(C)(C)Sc1cc(=O)n(-c2ccccc2)c(=O)n1-c1ccccc1 707750 KDCFPVYYLIGMBY-UHFFFAOYSA-N 352.459 3.879 0 40 FHAB COc1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1OC 751865 HLNXIRLIWGFNMQ-UHFFFAOYSA-N 360.435 3.568 0 40 FHAB COc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccccc2C)cc1 937699 ZJVDWKKZNKLCQR-CQSZACIVSA-N 358.463 3.703 0 40 FHAB C[C@@H]1CN(C(=O)/C=C/c2ccccc2)[C@H](C)CN1C(=O)/C=C/c1ccccc1 2086027 STPCOHFWYMIWLU-AFYOVXRGSA-N 374.484 3.861 0 40 FHAB COc1ccccc1NC(=S)NC(=O)Cc1cccc2ccccc12 2137160 UHLCHNBFYNSGHN-UHFFFAOYSA-N 350.443 3.904 0 40 FHAB CCc1ccccc1-n1cc2c(c1-c1cccc(C)c1)c(=O)n(C)c(=O)n2C 2400792 FCWBBNITCUVVQN-UHFFFAOYSA-N 373.456 3.566 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1C[C@H]1CCCO1 2407122 QPBLXBQJFPSLGA-BEFAXECRSA-N 361.397 3.517 0 40 FHAB Cn1c(SCc2ccc(Br)cc2)nnc1-c1cccnc1 2439006 DRYNGICJXQOZSN-UHFFFAOYSA-N 361.268 3.932 0 40 FHAB COC(=O)c1sccc1NS(=O)(=O)c1ccc(Cl)cc1Cl 2543394 OUDIAANQRFWZOO-UHFFFAOYSA-N 366.247 3.642 0 40 FHAB Cc1cc(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)no1 2634886 JHNFMWRBVYUNNV-UHFFFAOYSA-N 351.737 3.781 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2nc3c(F)cc(F)cc3s2)c1 2713999 BXACWHLQJWHUOG-UHFFFAOYSA-N 350.346 3.844 0 40 FHAB O=C(NCCCn1ccnc1)c1ccccc1COc1ccc(F)cc1F 2728976 JSFLZNJXMPQKCC-UHFFFAOYSA-N 371.387 3.560 0 40 FHAB O=C(/C=C/c1cccs1)OCC(=O)c1ccccc1Br 3256791 KKNTWSILCKDUOK-BQYQJAHWSA-N 351.221 3.950 0 40 FHAB COC[C@H](C)n1c(SCC(=O)c2cccs2)nc2ccccc2c1=O 3403485 PRDHUCVSXMNIAG-LBPRGKRZSA-N 374.487 3.640 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 3452023 YLTCUSMJOGGBGC-HNNXBMFYSA-N 372.852 3.644 0 40 FHAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1cccc(Br)c1 3571336 ZQEYAKALJOYEHJ-UHFFFAOYSA-N 358.191 3.970 0 40 FHAB CCOC(=O)C[C@@H](NC(=O)Cc1cccs1)c1ccccc1Cl 3627761 PKEDVIUFWOAXQI-OAHLLOKOSA-N 351.855 3.755 0 40 FHAB CN1CCN(C(=S)c2cn(Cc3cccc(F)c3)c3ccccc23)CC1 4140365 JINAMQIRPMDXCD-UHFFFAOYSA-N 367.493 3.752 0 40 FHAB O=C(/C=C/c1cccs1)N1CCN(c2nc3ccccc3s2)CC1 4224125 XNOQKMFXSCVOHN-BQYQJAHWSA-N 355.488 3.720 0 40 FHAB Cc1ccc(NC(=O)NC2(C(=O)NCc3ccco3)CCCCC2)cc1 4375343 MVUDMMQPGWAULF-UHFFFAOYSA-N 355.438 3.729 0 40 FHAB O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1cccc2ccccc12 4496299 BOGQDQMLHVPMJY-UHFFFAOYSA-N 357.406 3.781 0 40 FHAB Cc1ccc(S(=O)(=O)NCCc2csc(-c3cccc(C)c3)n2)cc1 4570699 SEMKBPFCIQKDSX-UHFFFAOYSA-N 372.515 3.948 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)N1CCn2cccc2[C@@H]1c1cccs1 4854592 VTNZQLXHOVKGRG-GOSISDBHSA-N 367.430 3.915 0 40 FHAB CCN(C(=O)COC(=O)COc1ccc(Cl)cc1C)C1CCCCC1 4979204 MJSWPXAJHRXRFV-UHFFFAOYSA-N 367.873 3.752 0 40 FHAB O=C(Nc1cccc(Cl)c1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 5604872 LDRQFRNYAWPFLF-INIZCTEOSA-N 357.797 3.639 0 40 FHAB COC[C@@H](C)NC1=NN=C(c2ccc3c(c2)-c2ccccc2C3)CS1 6048054 WKFLZSNBECFPPP-CYBMUJFWSA-N 351.475 3.689 0 40 FHAB Cc1cc(C(=O)COC(=O)/C=C/c2ccccc2)c(C)n1-c1nccs1 6054099 DFWBNQHOFWDAMJ-CMDGGOBGSA-N 366.442 3.990 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)N1CCC[C@H]1c1cccs1 6654202 KXQCBPYPLBUMRJ-HNNXBMFYSA-N 359.447 3.702 0 40 FHAB Cn1c(N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)nc2ccccc21 7343428 SKWYRJJZAYNRCS-CIAFOILYSA-N 360.373 3.978 0 40 FHAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC)c(OCC)c2)cc1 7361228 IAFHKVPJPIVBKR-UHFFFAOYSA-N 365.451 3.684 0 40 FHAB O=C([C@H](Sc1ccc2ccccc2n1)c1ccccc1)N1CCOCC1 7920711 NRDFJMDHZNVRPU-HXUWFJFHSA-N 364.470 3.927 0 40 FHAB CSc1nc(=O)c2c(n1C)N=C(O)C[C@H]2c1ccc(Cl)cc1Cl 9012419 NOUBLEZMJYHZGQ-VIFPVBQESA-N 370.261 3.933 0 40 FHAB CN1CCN(c2ccccc2NC(=O)c2ccccc2C(F)(F)F)CC1 9316315 YMOHBIKBSQMRFE-UHFFFAOYSA-N 363.383 3.710 0 40 FHAB COc1ccc([C@H](CNC(=O)c2cc3c(s2)CCC3)N2CCCC2)cc1 9448977 VGRUFVIURIIUEC-SFHVURJKSA-N 370.518 3.812 0 40 FHAB Cc1ccc(F)cc1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 9458883 SFDWBRMRMCCHBO-SFHVURJKSA-N 370.424 3.681 0 40 FHAB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)cc1 9828044 QOMUNXPXJDZDNM-UHFFFAOYSA-N 368.433 3.582 0 40 FHAB COc1ccc(-c2noc(CCC(=O)NC3CCCCCCC3)n2)cc1 11412219 HDZUCIGKHNXONC-UHFFFAOYSA-N 357.454 3.907 0 40 FHAB Cc1c(Cl)cccc1NC(=O)CCCn1nc(-c2ccco2)ccc1=O 11695847 OZKYSRPPLUKRIZ-UHFFFAOYSA-N 371.824 3.884 0 40 FHAB O=C(NCc1ccccc1Cl)c1cc(=O)c(OCc2ccccc2)co1 11856514 RVUUUTLBHBZTNU-UHFFFAOYSA-N 369.804 3.802 0 40 FHAB CCCCc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCCC3)cc1 11903558 GPPPQOUZWFKDHE-UHFFFAOYSA-N 371.506 3.722 0 40 FHAB Cc1cnc2[nH]c(C3CCN(C(=O)CCc4cc(Cl)no4)CC3)cc2c1 12134058 AEJUYXMSXDBRQX-UHFFFAOYSA-N 372.856 3.852 0 40 FHAB O=C(c1ccccc1F)[C@H]1CCCN(C(=O)c2cc(-c3ccco3)on2)C1 12146340 JTCBVQCACIABKW-ZDUSSCGKSA-N 368.364 3.809 0 40 FHAB CCOC(=O)c1sc2nc(C)nc(NCCc3ccccn3)c2c1C 12486962 NXAVVJUNYNELPG-UHFFFAOYSA-N 356.451 3.534 0 40 FHAB Cc1ccc(-n2cnnc2SCC(=O)Nc2cccc(Cl)c2)cc1 12522425 XYUKYBDAZYLUJB-UHFFFAOYSA-N 358.854 3.960 0 40 FHAB COc1ccccc1CCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 12628430 DRIGORQXSLCWDA-UHFFFAOYSA-N 363.461 3.910 0 40 FHAB C[C@H]1CN(C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 12778026 XJWPPZANMLAHBA-OKILXGFUSA-N 357.837 3.820 0 40 FHAB Cc1ccc(CN2C(=O)N/C(=C\c3ccc(OC(C)C)cc3)C2=O)cc1 14009326 WPQPUZVKAGLMDH-UNOMPAQXSA-N 350.418 3.875 0 40 FHAB O=C(CSc1nnc(C2CC2)n1Cc1ccco1)Nc1ccc(F)cc1 14168979 AOXLIVWWZAMSHZ-UHFFFAOYSA-N 372.425 3.667 0 40 FHAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(C)=O)cc3n2)c(C)c1 14258112 PNEDQWKQAXJZIM-UHFFFAOYSA-N 351.454 3.842 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(C)cccc2C(C)C)cc1 16309319 MEKXPNIQFBICQY-UHFFFAOYSA-N 374.506 3.686 0 40 FHAB Cc1cnc(N2C(=O)CS[C@@H]2c2cccc(Br)c2)s1 17198032 WFNVRQWQQCYATC-GFCCVEGCSA-N 355.282 3.993 0 40 FHAB CCC(C)(C)NC(=O)Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O 19354297 KZMWHBRGMCWOTN-UHFFFAOYSA-N 369.490 3.738 0 40 FHAB COc1cccc([C@@H](NC(=O)Cc2c(C)noc2C)c2ccccc2)c1 19580465 HETNVYBDZYBFKC-NRFANRHFSA-N 350.418 3.748 0 40 FHAB COc1cccc(CN(C)C2CCC3(CC2)CNCc2ccccc2O3)c1 19586460 NKWPKGVDPZEEPJ-UHFFFAOYSA-N 366.505 3.991 0 40 FHAB COc1ccc([C@H]2CN(C)[C@@H]3CCCN(C(=O)c4cccc(F)c4)[C@H]23)cc1 19590791 HESSQVYORSHWIQ-NJDAHSKKSA-N 368.452 3.537 0 40 FHAB CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCOCC3)c(N)c2)cc1 20154042 URRJFLNPEQMSJU-UHFFFAOYSA-N 353.466 3.655 0 40 FHAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(Br)cc1 22558544 KLCFVMPXYGYFEH-UHFFFAOYSA-N 358.239 4.000 0 40 FHAB O=C(COc1ccc(Oc2ccccn2)cc1)NOCc1ccccc1 25286848 CGPRVYBQUYFWFT-UHFFFAOYSA-N 350.374 3.501 0 40 FHAB O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)Nc1nc(C2CC2)cs1 26105941 GTVYLEIQAMBPQK-XCVCLJGOSA-N 353.447 3.565 0 40 FHAB CN(C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)[C@@H]1CCc2ccccc21 26199348 DJZURTCQBYZROC-WOJBJXKFSA-N 364.445 3.564 0 40 FHAB Cc1cc(NC(=O)CCn2cc(Br)cn2)c2ccccc2n1 27968921 GFQMUGHIRSNPHF-UHFFFAOYSA-N 359.227 3.531 0 40 FHAB CCn1ncc(Br)c1C(=O)Nc1ccccc1Br 28223711 HRVXFECORRIUPY-UHFFFAOYSA-N 373.048 3.680 0 40 FHAB c1ccc(C(c2ccccc2)N2CCN(Cc3nc(C4CC4)no3)CC2)cc1 29449915 QXEMXSHZWSCXIL-UHFFFAOYSA-N 374.488 3.854 0 40 FHAB COc1ccc(-c2csc(CCNC(=O)c3ccc(F)cc3)n2)cc1 31848787 CJJBTWIWTXMHRG-UHFFFAOYSA-N 356.422 3.930 0 40 FHAB COc1ccc(C(=O)NCc2cccnc2Oc2cccc(F)c2)cc1 32924707 CABQHNIRIXVPBQ-UHFFFAOYSA-N 352.365 3.952 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)N[C@@H](C)CCc2ccccc2)o1 32950345 SVLJVCMNVXRIAG-ZDUSSCGKSA-N 371.462 3.868 0 40 FHAB CCC(=O)N(Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2n2nnnc12 35311765 RCGOGFMJPQDTCF-UHFFFAOYSA-N 373.460 3.833 0 40 FHAB Clc1cccc(CNc2ncnc3c2nnn3Cc2ccccc2)c1 35314892 KASHBBKALAHGQC-UHFFFAOYSA-N 350.813 3.535 0 40 FHAB CCS(=O)(=O)c1ccccc1NC(=O)CCc1ccccc1Cl 40074544 AOMRTXAFXBUKFI-UHFFFAOYSA-N 351.855 3.705 0 40 FHAB CCCn1nc(C(=O)Nc2ccccc2N(C)c2ccccc2)ccc1=O 40114508 CJHZAIACPRDFTR-UHFFFAOYSA-N 362.433 3.674 0 40 FHAB O=C(c1ccccc1-c1ccccc1)N1CCCN(C[C@@H]2CCCO2)CC1 47851445 CLSOSLTVHUNLML-FQEVSTJZSA-N 364.489 3.681 0 40 FHAB Cc1cccc(C)c1OC1CCN(Cn2c(=O)oc3ccccc32)CC1 48288770 GQJCVNRGMWAGEK-UHFFFAOYSA-N 352.434 3.712 0 40 FHAB CCN(CC)[C@@H](CNC(=O)Nc1cccc(N2CCCCC2=O)c1)C(C)C 48355774 GSMHZOQAUHPGEI-IBGZPJMESA-N 374.529 3.691 0 40 FHAB CC(=O)c1cccc(NC(=O)c2csc(Nc3nc(C)cc(C)n3)n2)c1 49032294 VWEZBQNOIRSMRJ-UHFFFAOYSA-N 367.434 3.748 0 40 FHAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc2ccccc2c1 49581056 BYSFBJACSGISND-UHFFFAOYSA-N 352.478 3.605 0 40 FHAB O=C(COC(=O)c1ccc(Cl)cc1)NCc1ccc(F)cc1Cl 51356302 MVTSZRKMUPCGRP-UHFFFAOYSA-N 356.180 3.606 0 40 FHAB Cn1nc2c(c1NC(=O)CCn1ccc3c(Cl)cccc31)CSC2 61719205 UOGLHSFSCYOCHH-UHFFFAOYSA-N 360.870 3.804 0 40 FHAB CCN(CC)c1ccc(C(=O)Nc2ccc3c(c2)OCCCO3)c(O)c1 65043829 ZABHNWLXHUHVGO-UHFFFAOYSA-N 356.422 3.652 0 40 FHAB CCCO[C@@H]1CCCN(c2cc(C(=O)NC3CC3)c3ccccc3n2)C1 67384650 ROBBZHVMILUMAK-MRXNPFEDSA-N 353.466 3.522 0 40 FHAB Cc1nc(Nc2ncccc2C)cc([C@H]2CCCN2Cc2cccnc2)n1 72360204 PTLDHGBYUMETPO-LJQANCHMSA-N 360.465 3.964 0 40 FHAB COc1cccc(CN2CCC[C@H](c3nnc(-c4cccnc4)o3)C2)c1 72389985 BIYHTYDJFVMFGF-KRWDZBQOSA-N 350.422 3.520 0 40 FHAB C[C@H]1C[C@H]1C(=O)Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 75141202 MBUJLUHQHFNVJX-SCLBCKFNSA-N 357.837 3.874 0 40 FHAB CC[C@@H](C(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1)c1ccccc1 75165181 KOUXJPLJKTXUKO-CQSZACIVSA-N 367.371 3.988 0 40 FHAB C[C@@H]1Cc2cc(S(=O)(=O)Nc3cccc(Br)c3)ccc2N1 78403905 ZHAJJNJQLLEFRS-SNVBAGLBSA-N 367.268 3.606 0 40 FHAB CCCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 78539317 RLZOVRJUUQNYPY-UHFFFAOYSA-N 367.417 3.735 0 40 FHAB COc1ccc([C@H](Nc2c(F)c(F)nc(F)c2F)c2nccn2C)cc1 79046783 WMTMMPXMGQTMPP-ZDUSSCGKSA-N 366.318 3.582 0 40 FHAB COc1cccc([C@@H](C)CC(=O)Nc2cccc(-c3noc(O)n3)c2)c1 84540683 XFJUWFZDUJNMHQ-LBPRGKRZSA-N 353.378 3.583 0 40 FHAB C[C@H](N[C@@H]1CCC[C@H]1C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 89551628 DEGFAKGDBQWPOS-ZRGWGRIASA-N 362.495 3.597 0 40 FHAB C[C@H](NC(=O)CN1CCOc2ccc(C(F)(F)F)cc21)c1cccs1 89910166 JTPJJBPPJUJWLE-NSHDSACASA-N 370.396 3.843 0 40 FHAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1nc(-c2ccccc2)no1 95482365 RSWXHWQRRVOWRH-OAHLLOKOSA-N 371.824 3.864 0 40 FHAB CCOc1cc([C@H](N)c2n[nH]c(-c3cccc(Cl)c3)n2)ccc1OC 95534374 JEZLBYVVGCBYML-INIZCTEOSA-N 358.829 3.581 0 40 FHAB C[C@@](O)(CNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1ccccc1Cl 95943421 GJRKEBMQXCYLRO-LJQANCHMSA-N 373.815 3.507 0 40 FHAB Cc1cc(OCc2cccc(S(=O)(=O)N(C)C)c2)c2cccc(C)c2n1 95992745 FZVRPIMTPMSLQD-UHFFFAOYSA-N 370.474 3.681 0 40 FHAB COc1ccc(C)cc1-n1ccc(C(=O)N2CCC(Cl)=C(Cl)C2)n1 95992887 ZPRYCGDWHTVVKE-UHFFFAOYSA-N 366.248 3.724 0 40 FHAB Cc1cccc(C)c1NC(=O)CNC(=O)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 103217501 NVUWIQILSQYLOZ-RKAKKKFESA-N 374.912 3.936 0 40 FHAB O=C(Cc1nc(COC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cs1)Nc1ccccc1 107343049 NELCAJYDWNQFJU-GRDNDAEWSA-N 370.474 3.804 0 40 FHAB Cc1cc(C)c(OCC(=O)n2cc(C(N)=O)c3ccccc32)c(Cl)c1 216808791 VLUOSLCKWUBDBW-UHFFFAOYSA-N 356.809 3.730 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1C 219515667 UAKLVRBMXCUEPX-INIZCTEOSA-N 352.434 3.836 0 40 FHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 222584641 IQDPBPJXLCNFBN-INIZCTEOSA-N 372.896 3.663 0 40 FHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1 224974362 OOEPVTITDBWUIL-ZWKOTPCHSA-N 352.478 3.561 0 40 FHAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1 225421152 OLBAHZLGMRAALN-RBUKOAKNSA-N 366.505 3.604 0 40 FHAB CCN(CC)CC[C@H](C)N[C@H](c1nnnn1-c1c(C)cccc1C)C(C)C 255188779 LOMZMUNJURXOMN-OALUTQOASA-N 372.561 3.686 0 40 FHAB CC1(C)CC2(CCN(CC(=O)Nc3ccccc3OC(F)F)CC2)CO1 257204879 AWRJMQZTYMONME-UHFFFAOYSA-N 368.424 3.508 0 40 FHAB c1c[nH]c(-c2cncc(C[C@H]3CCCN(Cc4ccc5cc[nH]c5c4)C3)n2)n1 257322768 WHIJFJAYSRFRRR-MRXNPFEDSA-N 372.476 3.803 0 40 FHAB Cc1ccc(CNC(=S)Nc2nc(C)cc(N3CCC[C@H](C)C3)n2)cc1 260710253 FXLBKEZEQDKHPP-HNNXBMFYSA-N 369.538 3.816 0 40 FHAB CC[C@@H](C(=O)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1)c1ccccc1 390830455 LFWKHOSQDWTHMD-UXHICEINSA-N 371.502 3.569 0 40 FHAB CN1CCC[C@H](NC(=O)[C@]2(Cc3ccc(Cl)cc3)C[C@H]3CC[C@H]2C3)C1 605304465 VALDBDVGAHBLFR-MEZWHVQBSA-N 360.929 3.899 0 40 FHAB C[C@H](c1ccc(CN2CCC(CCO)(CCO)CC2)cc1)C(F)(F)F 640010680 HURYAPHYZVGOKO-OAHLLOKOSA-N 359.432 3.699 0 40 FHAB CC[C@@H]1CN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)C[C@@H]1O 677708984 AOIYDSPFZRSQIX-YPMHNXCESA-N 358.488 3.868 0 40 FHAB CC(C)c1ocnc1CN1CCC(Oc2nccc(C(F)(F)F)n2)CC1 1776009560 ITSPBOWCPYZDTA-UHFFFAOYSA-N 370.375 3.650 0 40 FHAB CN(CC1CCN(c2nccs2)CC1)c1cc(C(F)(F)F)ccn1 1888904051 CVXXPIPYRNUQLU-UHFFFAOYSA-N 356.417 3.910 0 40 FHAB COCCOC(=O)N1CCC([C@H]2CCCCN2Cc2ccccc2)CC1 2056226465 RWZZXCHKJZIZDI-HXUWFJFHSA-N 360.498 3.536 0 40 FHAB COC(=O)[C@@H](c1cccc(Cl)c1)n1c(O)nc2cc(Cl)ccc21 2362797566 HVNCUZUDEXTSOC-CQSZACIVSA-N 351.189 3.811 0 40 FHAB COc1ccc(N(C(=O)c2cccs2)S(=O)(=O)c2ccccc2)cc1 646772 MQISSZIKPOHVHR-UHFFFAOYSA-N 373.455 3.792 0 40 FHAB CC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2ccc(OCC(N)=O)cc12 798328 ZAVKTDDVAIVWLJ-UHFFFAOYSA-N 356.809 3.659 0 40 FHAB COc1ccc(N[C@H](NC(=O)c2cccnc2)C(Cl)(Cl)Cl)cc1 808606 RNAJHUVHXWGWQR-CQSZACIVSA-N 374.655 3.628 0 40 FHAB Cc1ccc(Cc2cnc(NC(=O)CSc3ncccn3)s2)cc1 818850 WOPUMOOZYHYRGO-UHFFFAOYSA-N 356.476 3.563 0 40 FHAB COc1cc(CNc2ncc(-c3ccc(F)cc3)n2C)cc(OC)c1O 819099 LQIDYQVXMVTJIS-UHFFFAOYSA-N 357.385 3.561 0 40 FHAB Cc1ccc(-c2cnc(-c3ccc4c5c(cccc35)C(=O)N(N)C4=O)o2)cc1 842179 WUYXTZMIOGIGQF-UHFFFAOYSA-N 369.380 3.940 0 40 FHAB N#C[C@@H](C(=O)CCl)c1nc(-c2ccc(Br)cc2)cs1 955008 JJVGFGBVTLKNMZ-JTQLQIEISA-N 355.644 3.988 0 40 FHAB Cc1ccc(S(=O)(=O)NN(Cc2ccccc2)Cc2ccccc2)cc1 1719551 AVLJYAOKBGIWLI-UHFFFAOYSA-N 366.486 3.891 0 40 FHAB CCOc1cccc(-c2nnc(SCc3cc(C)ccc3C)n2N)c1 2233772 GYQHKKRELIHQJQ-UHFFFAOYSA-N 354.479 3.967 0 40 FHAB CCCCCOc1ccc(N2C(=O)C[C@H](N(O)c3ccccc3)C2=O)cc1 2263055 GCIUIOZZUGWXQK-IBGZPJMESA-N 368.433 3.783 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)Nc2cc(Cl)c3oc(=O)sc3c2)c1 2493414 BTRDDNJHVYDRBY-UHFFFAOYSA-N 369.851 3.926 0 40 FHAB Cc1cccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccccc3)cs2)c1 3049236 OESSENJYHZDNEE-UHFFFAOYSA-N 372.471 3.531 0 40 FHAB aggregator O=c1cc(COc2ccc(Cl)cc2)nc2ccc(Br)cn12 3268765 VHYVJWQTEZUFMO-UHFFFAOYSA-N 365.614 3.689 0 40 FHAB CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cccc3ccccc23)cc1 3313278 AVENXUSAQAFJMJ-UHFFFAOYSA-N 362.385 3.594 0 40 FHAB O=C(COC(=O)c1cc(Cl)ccc1Cl)Nc1cccnc1Cl 3369707 PCILAQMFLNFCCG-UHFFFAOYSA-N 359.596 3.837 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)NC(C)(C)C)n2C(C)C)cc1 3373052 LCPBMNKJKWCWCG-UHFFFAOYSA-N 362.499 3.541 0 40 FHAB O=c1c2ccccc2nnn1CSc1nc(-c2ccc(F)cc2)cs1 3406266 KPPQAPHNZMFHRH-UHFFFAOYSA-N 370.434 3.804 0 40 FHAB CCc1ccc2c(CSc3nc4nc(C)cc(C)n4n3)cc(=O)oc2c1 3428439 PGKOVJKLVSVDLD-UHFFFAOYSA-N 366.446 3.702 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccccc2)n1C 3542437 RXHWHFAMQOZSHJ-AWEZNQCLSA-N 364.474 3.552 0 40 FHAB C[C@@]1(CCc2ccccc2)NC(=O)N(CCOc2ccc(Cl)cc2)C1=O 4288551 BOXHDXDWXCRQIY-FQEVSTJZSA-N 372.852 3.662 0 40 FHAB C[C@H]1CC[C@H](C)[C@H](NC(=O)c2ccc(I)cc2)C1 4409158 UKUJCWUKFVTSPO-COPLHBTASA-N 357.235 3.846 0 40 FHAB COc1ccccc1CNc1nc(=S)[nH]c2cc(OC)c(OC)cc12 4918916 GBRSJAGBVJGXOM-UHFFFAOYSA-N 357.435 3.930 0 40 FHAB CC(C)c1ccc(OC[C@H](O)Cn2c([C@H](C)O)nc3ccccc32)cc1 4942774 OUDRASISVZROQK-DOTOQJQBSA-N 354.450 3.653 0 40 FHAB NC1=N[C@@H](c2cccc(OCc3ccccc3)c2)n2c(nc3ccccc32)N1 5072188 YFLJSPZGOYVLSF-HXUWFJFHSA-N 369.428 3.902 0 40 FHAB O=C(Nc1ccc(N2CCCCC2=O)cc1)c1ccc(Br)o1 5441228 SBVFXCLTTYQRAR-UHFFFAOYSA-N 363.211 3.811 0 40 FHAB O=C(Cn1cnc2ccccc2c1=O)Oc1ccc2oc3ccccc3c2c1 5465668 GUOSERJIODLCQT-UHFFFAOYSA-N 370.364 3.902 0 40 FHAB CCOc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)cc1 5525134 UDJCJDFCXCKPIX-FPOVZHCZSA-N 350.462 3.842 0 40 FHAB O=C(NC(=S)Nc1ccccn1)c1cc(Br)ccc1Cl 5674074 QMAVXEMESOOCKH-UHFFFAOYSA-N 370.659 3.624 0 40 FHAB CCn1nnc2cc(C(=O)OCC(=O)c3ccc(C(C)C)cc3)ccc21 5805398 QFNKSWJUMXSMCS-UHFFFAOYSA-N 351.406 3.614 0 40 FHAB COC(=O)c1cc(-c2cnc(C)nc2-c2ccc(OC)c(C)c2O)c(C)o1 5881672 WKXUQCXEMNNOBH-UHFFFAOYSA-N 368.389 3.830 0 40 FHAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1 6570316 LVEWZYZBDZKRLT-MRXNPFEDSA-N 354.450 3.953 0 40 FHAB O=S(=O)(NNc1cc(C(F)(F)F)ccc1Cl)c1ccc(F)cc1 6786430 BTUFZRVBRYWSKE-UHFFFAOYSA-N 368.739 3.803 0 40 FHAB CCCCCn1nc(C(=O)Nc2ccccc2F)c2ccccc2c1=O 6846834 YDCBAYQYFORLLJ-UHFFFAOYSA-N 353.397 3.978 0 40 FHAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)CS2 7344678 LGZZDASUFZHOJO-NQIIRXRSSA-N 366.486 3.670 0 40 FHAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(F)cc2F)CC1 7724538 KHDYGZICFRWAKL-UHFFFAOYSA-N 350.796 3.889 0 40 FHAB Cc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cccc(C)c3)n2)cc1 7780866 NELSXTATZDHTST-MRXNPFEDSA-N 365.433 3.779 0 40 FHAB CCn1c(S[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1C1CC1 7826004 UPFKPULWWVYVKB-GFCCVEGCSA-N 360.483 3.686 0 40 FHAB Cc1ccc(C)c(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)c1 7927245 WZBDGTGSPHBRQU-KRWDZBQOSA-N 358.507 3.985 0 40 FHAB COc1ccc(CC(=O)Sc2nnc(-c3cccc(OC)c3)o2)cc1 7939599 QJELVDTTYNWSRO-UHFFFAOYSA-N 356.403 3.615 0 40 FHAB Cc1nc(-c2cccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)c2)cs1 8232744 AKNABNVYLYATID-UHFFFAOYSA-N 372.471 3.774 0 40 FHAB C[C@@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1cccnc1 8708292 FVXDONNFNMUWGC-CYBMUJFWSA-N 351.431 3.886 0 40 FHAB CN(C)[C@H](CNC(=O)c1ccc(F)cc1Br)c1ccccc1 9479189 JGHMSCSVJYQAKY-MRXNPFEDSA-N 365.246 3.621 0 40 FHAB CCOc1ccccc1OCc1nn2c(-c3cccc(F)c3)nnc2s1 10311617 PNCISPALHPPMOW-UHFFFAOYSA-N 370.409 3.970 0 40 FHAB Cn1nc(-c2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)ccc1=O 10325058 ARBUSAMNCMMUCM-UHFFFAOYSA-N 373.334 3.718 0 40 FHAB O=C(CS(=O)(=O)Cc1ccccc1)Nc1cc(Cl)cc(Cl)c1 10619249 NXIGTHBWZUDSDI-UHFFFAOYSA-N 358.246 3.547 0 40 FHAB Cc1ccc(C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)cc1-n1cccc1 11492186 RKPGURXBQMWNLU-OAQYLSRUSA-N 374.440 3.962 0 40 FHAB CC(C)CCCN1CC[C@H](N2CCN(c3ccccc3)CC2)CCC1=O 11913629 PHJRLFZQBUPRNU-OAQYLSRUSA-N 357.542 3.626 0 40 FHAB COc1ccccc1CNc1ncc(-c2cnccn2)c(-c2ccoc2)n1 12728856 YEKXYIKSXFRWLV-UHFFFAOYSA-N 359.389 3.814 0 40 FHAB CC(C)(C)C(=O)NCCCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 12949584 GHZHWYFXTFYPNY-UHFFFAOYSA-N 363.458 3.830 0 40 FHAB CCC[C@@H]1[C@@H]2C(=O)N(c3ccc(CC)cc3)C(=O)[C@H]2ON1c1ccccc1 13563481 KZVSHWCSDYFGSC-AABGKKOBSA-N 364.445 3.728 0 40 FHAB COc1ccc(OCCSc2nc(O)c3c(C)cc(C)nc3n2)cc1 14119244 SZWGEHXWEDHUCH-UHFFFAOYSA-N 357.435 3.527 0 40 FHAB O=C(CCc1nc(-c2ccsc2)no1)Nc1cccc2cccnc12 14128901 VFVRXMFNUHCWJU-UHFFFAOYSA-N 350.403 3.918 0 40 FHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1C[C@@H](C)O[C@H](C)C1 14158937 XMCFMQAXWOYPAK-MXWKQRLJSA-N 364.795 3.795 0 40 FHAB NC(=O)CCN(Cc1ccccc1)C(=O)c1cccc(Oc2ccccc2)c1 14201981 KLYVHTWDMLZGRI-UHFFFAOYSA-N 374.440 3.997 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 14702239 YLELIPRBYCAPGK-SJPCQFCGSA-N 351.450 3.823 0 40 FHAB Cc1ccccc1OCC(=O)NCc1cc(-c2ccc(F)cc2F)on1 17136055 NHUORMDTGGCUKX-UHFFFAOYSA-N 358.344 3.623 0 40 FHAB Cc1cc(C)n(-c2cc(N3C[C@H](C)O[C@H](C)C3)nc(-c3ccccc3)n2)n1 18188249 XBJDAUWGUXZRDP-CALCHBBNSA-N 363.465 3.560 0 40 FHAB Cc1nc(C)n([C@H](C)CC(=O)N[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)n1 19285670 PUBWDZHSCNWRTH-ZCQPYHSOSA-N 366.509 3.935 0 40 FHAB CCc1nccn1[C@@H](C)C(=O)Nc1ncc(-c2ccc(C)c(C)c2)n1C 19666332 SIRABMGUOHWDPK-HNNXBMFYSA-N 351.454 3.663 0 40 FHAB COC(=O)c1ccc(CNC(=O)[C@@H](C)Sc2ccc(F)c(F)c2)cc1 21493052 RBJKKSZEQRTOFI-LLVKDONJSA-N 365.401 3.548 0 40 FHAB COc1ccc(S[C@H](C)C(=O)N2CCc3ccccc3C2)cc1OC 30751584 VDPATTKKCNZDPM-CQSZACIVSA-N 357.475 3.769 0 40 FHAB CC(C)c1nnc(NC(=O)CCCc2nc(-c3cccs3)no2)s1 31711406 LSZWBNFTTDLDGV-UHFFFAOYSA-N 363.468 3.734 0 40 FHAB O=C(O)c1ccc(-c2oc3ccc(Br)cc3c(=O)c2O)cc1 31773440 JAWDKXJGHMZPQI-UHFFFAOYSA-N 361.147 3.626 0 40 FHAB c1ccc(-c2nnc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)o2)cc1 32665141 PQHJLWDIACQKJA-KRWDZBQOSA-N 363.417 3.845 0 40 FHAB COC[C@@H](C)n1c(C)cc(C(=O)COc2nnc(-c3ccccc3)o2)c1C 32809898 LXXBLELHHUHMKZ-CQSZACIVSA-N 369.421 3.624 0 40 FHAB O=C(CSCc1cc(=O)c2cc(F)ccc2[nH]1)Nc1ccc(F)cc1 33063864 JGHFVZUMMUCJDX-UHFFFAOYSA-N 360.385 3.678 0 40 FHAB Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(F)c(C(N)=O)c2)s1 33064609 VYZSNRUMPKDNLT-UHFFFAOYSA-N 355.394 3.609 0 40 FHAB O=C1COc2cc(NC(=O)c3ccc(Cl)cc3F)c(Cl)cc2N1 33194443 JZXLMITUIWJIRE-UHFFFAOYSA-N 355.152 3.716 0 40 FHAB CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@H]1c1ccccc1)CCCC3 35079573 POYFPBLOVRVCKS-SFHVURJKSA-N 363.461 3.937 0 40 FHAB CCOCc1c(-c2ccc(C)cc2)c2cc3c(cc2[nH]c1=O)OCCO3 36559026 KGIHTDUEFINRFG-UHFFFAOYSA-N 351.402 3.811 0 40 FHAB O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38849075 JVHHHDIRSFGLHS-KGLIPLIRSA-N 371.308 3.501 0 40 FHAB COc1ccc(CN(C)C(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 39768449 UZQDGUZWCCVSNN-UHFFFAOYSA-N 366.505 3.874 0 40 FHAB C[C@H]1CCCN(CCCNC(=O)/C=C/c2ccc(Br)cc2)C1 40108080 RITDZBXDLUODDU-VSGCLNPGSA-N 365.315 3.701 0 40 FHAB CCN(CC)[C@@H](CNC(=O)c1ccc(C)c(NC(C)=O)c1)c1ccsc1 40108812 UZETZLDDGYPFJQ-IBGZPJMESA-N 373.522 3.828 0 40 FHAB COc1ccc(C2=CCN(C(=O)c3cncc(Br)c3)CC2)cc1 40119682 VDUPPVZFQCJUCX-UHFFFAOYSA-N 373.250 3.782 0 40 FHAB CCC(=O)c1ccc(OC(=O)CCc2nc(Cc3ccccc3)no2)cc1 40128609 CACVMSRNGDVXJZ-UHFFFAOYSA-N 364.401 3.791 0 40 FHAB c1cc2c(cc1-c1n[nH]cc1CNCCCOC1CCCCC1)OCO2 40153210 GSECHGVZFQQEHJ-UHFFFAOYSA-N 357.454 3.634 0 40 FHAB COc1ccccc1NC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 42646597 KBWNHUXNKOJIAZ-UHFFFAOYSA-N 374.440 3.582 0 40 FHAB CCOc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)C[C@@H](C)C3)cs2)cn1 44954863 QSMGFUMGIVBSPA-OKILXGFUSA-N 374.510 3.667 0 40 FHAB Cc1cccc(OCC(=O)Nc2c(C)cc3nc(NN)sc3c2C)c1C 45890119 XPFUAIYAWSODOS-UHFFFAOYSA-N 370.478 3.833 0 40 FHAB Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CCC(CO)CC1 54839779 MFQHKOCSOKHNPH-AWEZNQCLSA-N 359.495 3.593 0 40 FHAB Cc1cc(NC(=O)CNc2ccc(Cl)cc2NC(=O)c2ccco2)on1 55852749 BTHPAJIDOFWBTH-UHFFFAOYSA-N 374.784 3.532 0 40 FHAB Cc1cc(=O)oc2cc(NC(=O)NC[C@H](c3cccs3)N(C)C)ccc12 58066998 OEDSFEKBYGSHQI-OAHLLOKOSA-N 371.462 3.587 0 40 FHAB CCn1ccnc1SCC(=O)NC[C@H](C)c1nc2ccccc2s1 58177619 JJVUOTRPQIZALG-LBPRGKRZSA-N 360.508 3.525 0 40 FHAB Cc1ccc(C(=O)OCC(=O)N2CCC[C@@H]2c2cccs2)c(O)c1C 62464648 AHBPHOKSLZYLOZ-OAHLLOKOSA-N 359.447 3.591 0 40 FHAB O=C(c1ccco1)N1CCC(C(=O)N(C2CCCC2)C2CCCC2)CC1 63442744 HQJAYRVDSAADGV-UHFFFAOYSA-N 358.482 3.846 0 40 FHAB CCOc1ccc(CN(C)S(=O)(=O)c2ccc(SC)cc2)cc1 64572560 KKIHHKXULVUIJY-UHFFFAOYSA-N 351.493 3.628 0 40 FHAB O=c1c2ccccc2sn1-c1cccc(I)c1 66148805 PHZMAJFIJFHPHX-UHFFFAOYSA-N 353.184 3.657 0 40 FHAB Cc1noc(C)c1CNC(=O)N1CCC[C@H]1c1nc2ccccc2s1 67759891 VOJCUXCQJGJWSR-HNNXBMFYSA-N 356.451 3.948 0 40 FHAB CS(=O)(=O)c1ccc([C@H]2CC(O)=Nc3c2cnn3C2CCCC2)cc1 71279272 ZPPGXKJRVMUCER-OAHLLOKOSA-N 359.451 3.525 0 40 FHAB Cc1ccc(C(=O)N2[C@@H](C(=O)O)COC23CCC(C(C)(C)C)CC3)cc1 71980436 QSQFISMFVFVZQK-BQIYRTECSA-N 359.466 3.853 0 40 FHAB CC(C)(C)c1cc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)no1 72296587 XEUVOAVLLXAILF-UHFFFAOYSA-N 356.344 3.843 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cccc2c1ccn2C)CC3 72324907 ZCTFXDRXVIQWGQ-UHFFFAOYSA-N 359.429 3.867 0 40 FHAB biogenic Cc1nc2c(c(Nc3ncc(C)s3)n1)CCN(Cc1ccccc1)C2 72380790 RZVUBBPYZNQQAL-UHFFFAOYSA-N 351.479 3.852 0 40 FHAB Cc1cnc(CNC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)s1 75096457 YICJDAJUGYMWSB-CYBMUJFWSA-N 364.902 3.573 0 40 FHAB CCc1nc(C)c([C@H](C)OC(=O)c2cc(S(C)(=O)=O)ccc2C)s1 76020336 FKDDQODGRVZDPM-LBPRGKRZSA-N 367.492 3.644 0 40 FHAB CN1CCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)Cc2ccccc21 84139848 MCXHJDWLVPZVSS-UHFFFAOYSA-N 358.869 3.976 0 40 FHAB CCCC(=O)N1CCCC[C@H]1C(=O)Nc1nc2c(s1)CCCCCC2 84739814 XUNQIQRPWLTMTR-HNNXBMFYSA-N 363.527 3.922 0 40 FHAB C[C@]12CC[C@H](O)C[C@H]1CC[C@]1(O)[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@H]12 87493102 KTLSRQXCTIMHKT-IDARAOKOSA-N 374.521 3.604 0 40 FHAB CC(=O)c1ccc(C(=O)N2CC(Oc3nc4c(F)cccc4s3)C2)cc1 90593970 PSHOFCJDDFUEHH-UHFFFAOYSA-N 370.405 3.541 0 40 FHAB Cc1cccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)c1Br 97162709 DDOORMDBFQIZCB-UHFFFAOYSA-N 369.259 3.753 0 40 FHAB O=C(NCc1cccs1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 97212370 PXGPSQPASYERRL-UHFFFAOYSA-N 353.325 3.747 0 40 FHAB CCS(=O)(=O)Nc1ccc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1C 106128299 JQLDFJPYLYJXKN-KKUMJFAQSA-N 350.484 3.521 0 40 FHAB COCCN(Cc1ccsc1)C(=O)c1cc(Br)cs1 207974845 XUJKRXZZKYFGNG-UHFFFAOYSA-N 360.298 3.861 0 40 FHAB Cc1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c1C 222509875 SEZYCGMESWAUNK-UHFFFAOYSA-N 366.870 3.605 0 40 FHAB Cc1cc(F)ccc1S(=O)(=O)NCCOc1ccccc1C(C)(C)C 223741710 QEZIGERZRGYUJD-UHFFFAOYSA-N 365.470 3.789 0 40 FHAB COc1ccc(CN(C)C(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 224721240 FMCDXIPJBQVKGJ-INIZCTEOSA-N 353.462 4.000 0 40 FHAB Cn1c(/C=C2/SCCN2C(=O)c2ccccc2F)nc2ccccc21 225237509 ZORPUQNPYWXEPF-LDADJPATSA-N 353.422 3.900 0 40 FHAB COC(=O)c1ccc(C)c(NC(=S)NCCCc2ccc(F)cc2)c1 225547298 PNPOQRCCKVBKIF-UHFFFAOYSA-N 360.454 3.840 0 40 FHAB COc1ccc(CCNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 225578203 HPAOYTNFRLOORY-MRXNPFEDSA-N 353.462 3.700 0 40 FHAB CCOc1cccc(NC(=S)NCc2nc(-c3ccccc3C)no2)c1 225829044 RONZXPUQYJSHGC-UHFFFAOYSA-N 368.462 3.930 0 40 FHAB CO[C@@H](CNC(=O)c1ccc(C(F)(F)F)nc1)c1cc2ccccc2o1 253470814 AALVDQDEPOMHJX-HNNXBMFYSA-N 364.323 3.964 0 40 FHAB Cc1noc(C)c1-c1ccnc(C2CCN(C(=O)c3cscn3)CC2)c1 257213166 CGKUTODCHJBPPG-UHFFFAOYSA-N 368.462 3.830 0 40 FHAB Cc1ocnc1C(=O)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 257233196 GOFGZDRYZSXXSW-OAHLLOKOSA-N 364.405 3.585 0 40 FHAB Cc1ccnc(C)c1NC(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 332542925 YDIVRRSMRUXPBL-HZPDHXFCSA-N 353.466 3.560 0 40 FHAB CCCN1C(=O)N/C(=C/c2ccccc2OCc2ccccc2F)C1=O 409231631 DMMZABVHVPFCFU-SFQUDFHCSA-N 354.381 3.707 0 40 FHAB COc1ccc([C@H]2C3=C(N[C]4SCC(=O)N42)c2ccccc2CC3)cc1 409416308 GJWNXXRBFITYQV-FQEVSTJZSA-N 363.462 3.719 0 40 FHAB C[C@H]1C[C@@H](Nc2ncnc3c2ncn3C2CC2)CCN1Cc1ccccc1 576452565 LOGZMGVEISSRBK-RDJZCZTQSA-N 362.481 3.626 0 40 FHAB O=C(NCC1(Cc2ccccc2)CCCCC1)[C@H]1CCCc2nn[nH]c21 597519693 GURBONBUUXVWOP-KRWDZBQOSA-N 352.482 3.534 0 40 FHAB CC[C@@H](C)CN(CC)C(=O)c1ccc2nc(O)n(CC(F)(F)F)c2c1 611934154 KZONGXAZIOJTDD-LLVKDONJSA-N 357.376 3.812 0 40 FHAB CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NC(C)(C)c1cccc(Cl)c1F 655407229 MADUVLMEUYGWRY-CQSZACIVSA-N 368.880 3.868 0 40 FHAB COc1cccc([C@H](NC(=O)[C@@H]2CC23CCOCC3)c2ccccc2)c1 1179321185 SCUGBDGEVACYCH-VQTJNVASSA-N 351.446 3.718 0 40 FHAB O=C(c1ccc2ccccc2c1)N1CCC(n2nc(C3CC3)ccc2=O)CC1 1775966598 NZTVNIGKIWJVHG-UHFFFAOYSA-N 373.456 3.751 0 40 FHAB COc1ccc(NS(=O)(=O)c2cc(Cl)c(OC)cc2Cl)cc1 105589414 NUVYLZGJQXCELR-UHFFFAOYSA-N 362.234 3.811 0 40 FHAB O=C1C[C@@H](N(O)c2ccccc2)C(=O)N1c1c(Cl)cccc1Cl 2261745 KDSQFJVFNDMYOF-CYBMUJFWSA-N 351.189 3.521 0 40 FHAB COc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCC5)cc1OC 1251833 HCSFMODSMMYMLA-UHFFFAOYSA-N 352.419 3.512 0 40 FHAB Cc1cc(OCC(=O)Nc2ccccc2N2CCOCC2)ccc1Cl 3443755 AYSBHEFTWQSJNP-UHFFFAOYSA-N 360.841 3.503 0 40 FHAB C[C@H](NC(=O)c1cc2c(Cl)cccc2[nH]1)c1ccc(-n2cncn2)cc1 24982836 ZRMRYVFZVDKABI-LBPRGKRZSA-N 365.824 3.893 0 40 FHAB CCOC(=O)[C@@H](C)Oc1ccc2cc(-c3ccc(OC)cc3)c(=O)oc2c1 1317635 VVSBLIGYSUFBLF-CYBMUJFWSA-N 368.385 3.799 0 40 FHAB biogenic CCN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 1320422 FWJPPEYTOXVETL-GOSISDBHSA-N 364.228 3.821 0 40 FHAB Cc1nc(Cc2nnc(SCc3cn4cccc(C)c4n3)o2)cs1 6589254 ZIJKZJOPVHLBNB-UHFFFAOYSA-N 357.464 3.674 0 40 FHAB CCc1nncn1-c1ccccc1OCC(=O)Nc1ccc(Cl)cc1 6678062 XOEKRSDSWQLRFK-UHFFFAOYSA-N 356.813 3.501 0 40 FHAB CCCn1cc(NC(=O)c2c(-c3ccc(F)cc3)noc2C)ccc1=O 57144307 XLUAYPRVBJWZMZ-UHFFFAOYSA-N 355.369 3.613 0 40 FHAB CC(C)c1nnc(SCC(=O)Nc2ccc(N(C)C)cc2)n1C1CC1 12550893 RPCZKCXZWZNBEY-UHFFFAOYSA-N 359.499 3.533 0 40 FHAB COc1ccc(-c2nc(NC(=O)c3ccc4[nH]nnc4c3)sc2C)cc1 12559544 GWTRTGNOCLOIMS-UHFFFAOYSA-N 365.418 3.651 0 40 FHAB COc1ccc([C@@H](C)NC(=O)COC(=O)c2cc(Cl)ccc2F)cc1 51357255 SENXDRSRVULSIE-LLVKDONJSA-N 365.788 3.522 0 40 FHAB Cc1ccc(-n2cnnc2SCc2cccc(C(=O)N(C)C)c2)c(C)c1 58209254 XUUKINOLJCPTPH-UHFFFAOYSA-N 366.490 3.878 0 40 FHAB CCc1nc(CCNC(=O)c2cc3ccc(OC)cc3nc2C)sc1C 58322993 RKJCXQZYWWTLPT-UHFFFAOYSA-N 369.490 3.852 0 40 FHAB Cc1cnc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)s1 10628396 BMXKGXGFRVZIKH-UHFFFAOYSA-N 359.838 3.567 0 40 FHAB CC(C)C[C@H](C)n1nccc1NC(=O)c1cncc(Br)c1 36395635 LTYIMUYEYZXIMU-NSHDSACASA-N 351.248 3.900 0 40 FHAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCCC1=O 20452915 IJHMWIMVXAGZHQ-UHFFFAOYSA-N 364.854 3.576 0 40 FHAB COc1cc(Cn2cnc3c(oc4ccccc43)c2=O)ccc1OC(F)F 45427936 IADPZCQJRNHEKQ-UHFFFAOYSA-N 372.327 3.801 0 40 FHAB CCCNC(=O)[C@@H](C)NC(=O)CSC(c1ccccc1)c1ccccc1 45400920 BROZNUGEWZWDAF-MRXNPFEDSA-N 370.518 3.540 0 40 FHAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)N1CCCC1 2629938 VHYLCEJAFQTWBI-UHFFFAOYSA-N 374.440 3.989 0 40 FHAB O=C(COc1cccc(Br)c1)NCc1ccc(Cl)cc1 2630095 XXOLOWRECYIZNC-UHFFFAOYSA-N 354.631 3.798 0 40 FHAB O=C(CSc1ccc(Br)cc1)NCc1ccc(F)cc1 2646448 LDNHYRFPJMGRDC-UHFFFAOYSA-N 354.244 3.997 0 40 FHAB O=C(Nc1cccnc1N1CCOCC1)c1cc(F)c(Cl)cc1Cl 58167632 WBVQOBBLXUBNCJ-UHFFFAOYSA-N 370.211 3.616 0 40 FHAB O=C(O)[C@@H](c1c[nH]c2cc(OCc3ccccc3)ccc12)N1CCCC1 12322124 XWDXUDNNUFPMKB-HXUWFJFHSA-N 350.418 3.968 0 40 FHAB Cc1ccc(S(=O)(=O)N(CC(C)C)C[C@H](O)c2ccc(F)cc2)s1 95461933 IVJIMOMRKMBDSV-INIZCTEOSA-N 371.499 3.576 0 40 FHAB CCc1ccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc1 12783365 KKPWOOKAVAWXEO-KBPBESRZSA-N 359.495 3.567 0 40 FHAB O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)[C@H]1CCCO1 12742209 KOBPCANRNVVAFV-CYBMUJFWSA-N 356.369 3.870 0 40 FHAB Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)NC(C1CC1)C1CC1 48377981 RKWJFPPUBCDWFP-UHFFFAOYSA-N 369.387 3.597 0 40 FHAB CC[C@H](C)c1ccc(NC(=O)CN(C)CC(=O)Nc2cccc(F)c2)cc1 3541774 HCWNOWCMTQTOED-HNNXBMFYSA-N 371.456 3.848 0 40 FHAB CC(C)c1nn(-c2ccccc2)cc1CNCc1ccc(-n2cccn2)nc1 48710729 ZJVFBZJILXKKAJ-UHFFFAOYSA-N 372.476 3.866 0 40 FHAB O=C(CN1CCC(O)CC1)Nc1ccc(Oc2ccccc2Cl)cc1 13011261 BHDSFYOYHLARMQ-UHFFFAOYSA-N 360.841 3.528 0 40 FHAB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1F 9114600 VWEYXQQVEHBUQT-NSHDSACASA-N 352.356 3.572 0 40 FHAB CCOc1ccccc1NC(=O)[C@H](NC(=O)C1CCC(C)CC1)C(C)C 3895822 NIPIGDMAHDGCHW-LADRWXRNSA-N 360.498 3.991 0 40 FHAB CSc1cccc(N2CCn3c(nc4cc(NC(C)=O)ccc43)C2)c1 13690049 VXEKYQTZOQQHCF-UHFFFAOYSA-N 352.463 3.737 0 40 FHAB COCCOc1ccccc1C(=O)Nc1ccc(NC(=O)C(C)C)cc1 9230522 TYXMHSMBZXPSRQ-UHFFFAOYSA-N 356.422 3.559 0 40 FHAB COc1ccc(OC)c(C2=Nn3c(nnc3-c3cccc(C)c3)SC2)c1 5071878 PZCGYZLPAUWKNY-UHFFFAOYSA-N 366.446 3.629 0 40 FHAB O=C(Oc1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)c1ccccc1F 13855886 NAIALCSIEOXFHA-HZPDHXFCSA-N 365.360 3.501 0 40 FHAB O=C(Cn1ccc(=O)c2ccccc21)Nc1ccc(Nc2ccccc2)nc1 65492731 SAIIUKFWOBKXHZ-UHFFFAOYSA-N 370.412 3.779 0 40 FHAB O=C(CCNC(=O)Nc1ccccc1)Nc1cccc(C(F)(F)F)c1 14069402 DQXIQMIYILUYNH-UHFFFAOYSA-N 351.328 3.856 0 40 FHAB CCN(CC)C(=O)c1cccc(NC(=O)c2cc(Cl)c3c(c2)OCO3)c1 14235514 MCIGYTBFCVVRTO-UHFFFAOYSA-N 374.824 3.803 0 40 FHAB C[C@@H](OC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)C(N)=O 5427018 FIJKCECCDLCLCE-LLVKDONJSA-N 372.471 3.619 0 40 FHAB COCCn1c(-c2ccc(F)cc2)cnc1NCc1cccc(OC)c1 4679236 XTVRUNKOZCDLCG-UHFFFAOYSA-N 355.413 3.956 0 40 FHAB CCOc1ccccc1C(=O)N[C@H](C(=O)NC1CCCCCC1)C(C)C 6617900 PULQCCVFGSEFBU-IBGZPJMESA-N 360.498 3.679 0 40 FHAB COc1ccc(Br)c(C(=O)N[C@H](C)CCc2ccco2)c1 9451678 BFFSHDBUEAPCIH-LLVKDONJSA-N 352.228 3.802 0 40 FHAB Cc1cccc(-c2nn(CN3CCOCC3)c(=S)n2-c2ccccc2)c1 72329973 ZCERQBXNUDKGLH-UHFFFAOYSA-N 366.490 3.668 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1N1CCCC1 6820450 NBYKIJOYQAWYGV-HXUWFJFHSA-N 365.477 3.680 0 40 FHAB Cc1ccc2nc(CSc3nnc(C)n3C3CCCCC3)cc(=O)n2c1 5865365 JDBSYQNMDOQEKB-UHFFFAOYSA-N 369.494 3.700 0 40 FHAB Cc1nnc(SCC(=O)Nc2cccnc2Cl)n1C1CCCCC1 5865184 IQVDBOOYFPWRBN-UHFFFAOYSA-N 365.890 3.871 0 40 FHAB COc1ccc(N2C(=O)C[C@H](Nc3ccc(F)cc3C)C2=O)cc1Cl 6936539 OGSJLNRHNAOBBU-HNNXBMFYSA-N 362.788 3.540 0 40 FHAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3N3CCCC3)CC2=O)cc1 15934745 PDDFMXXRWAEABA-KRWDZBQOSA-N 363.461 3.587 0 40 FHAB C[C@@H](Sc1nncs1)C(=O)Nc1ccc(Br)cc1F 7816256 RIYWHNYTGVUXNY-ZCFIWIBFSA-N 362.249 3.559 0 40 FHAB COc1ccc(Cl)cc1NC(=O)Cc1ccc(N2CCCC2=O)cc1 7941073 FKFCGMVLYSSTSV-UHFFFAOYSA-N 358.825 3.657 0 40 FHAB Cc1ccc(OCCC(=O)NCc2nc(-c3ccncc3)cs2)cc1C 69457074 VHWBRTKQRJJULZ-UHFFFAOYSA-N 367.474 3.907 0 40 FHAB CNC(=O)c1ccc(/C=C/C(=O)N2CCSc3ccc(Cl)cc32)cc1 95349438 RYXWEBSMIHPZQN-RUDMXATFSA-N 372.877 3.852 0 40 FHAB CCc1ccc(CN(C)C(=O)C(=O)Nc2cccc([C@H](C)OC)c2)cc1 95423251 VIHJCGNQWFAZEQ-HNNXBMFYSA-N 354.450 3.554 0 40 FHAB C[C@@H]1CCN(CCN2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)C1 75109082 ZNHZFVOVQUKJKH-CXAGYDPISA-N 370.324 3.738 0 40 FHAB CCC(C)(C)C1CCC(NC(=O)c2cccnc2N2CCOCC2)CC1 26895924 XRPYZGAPGQDNRW-UHFFFAOYSA-N 359.514 3.643 0 40 FHAB COc1cccc(C(N)=O)c1OCc1nc2ccccc2c(C)c1Cl 24829737 AQCCELQLEBDMMN-UHFFFAOYSA-N 356.809 3.883 0 40 FHAB CCOC(=O)N1CCN(C(=O)c2cc3c(ccc4ccccc43)o2)CC1 408618666 LBWBDUCOSLLIHY-UHFFFAOYSA-N 352.390 3.500 0 40 FHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(C(=O)OC)ccc1C 408702895 JVWPBMVJBQRFQS-GOSISDBHSA-N 357.406 3.586 0 40 FHAB Cc1ccc2nc(COc3ccccc3NC(=O)CC(C)C)cc(=O)n2c1 33068116 YZSFZBGFNCUJCZ-UHFFFAOYSA-N 365.433 3.567 0 40 FHAB FC(F)(F)c1cc(-c2cccs2)nc(N2CCN3CCC[C@@H]3C2)n1 36613510 YGXIDYZRKRJFMP-LLVKDONJSA-N 354.401 3.508 0 40 FHAB Cc1csc(-c2nc(N3CC[C@@H](O)[C@H](C)C3)ncc2-c2ccsc2)n1 36740440 FTPOSKNMGDQSTC-IAQYHMDHSA-N 372.519 3.844 0 40 FHAB O=C(c1nccs1)C1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 72334858 XJLKGVCHEZVLQE-UHFFFAOYSA-N 374.893 3.950 0 40 FHAB COc1ccc(S[C@H](C)C(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1 44847799 QGLPVVUUDCRGQV-BRWVUGGUSA-N 364.555 3.660 0 40 FHAB CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Br)cc1 48959529 WCWSPPCUVGULAY-UHFFFAOYSA-N 362.195 3.552 0 40 FHAB O=C(Cc1cc2ccccc2c(O)n1)N1C[C@H]2CCCCN2c2ccccc21 564776859 BIEOZWLOVACJDC-GOSISDBHSA-N 373.456 3.889 0 40 FHAB O=c1[nH]c(N2CCCC2)nc2nccc(/C=C/c3cccc(Cl)c3)c12 40388563 FEGARWOTLUXRKL-VOTSOKGWSA-N 352.825 3.742 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)Nc1ccccc1N1CCCC1=O 40104214 ILRVLGHLUCNSMU-INIZCTEOSA-N 351.450 3.956 0 40 FHAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1 225611485 XQWNQTBWYQCCGV-UTKZUKDTSA-N 362.514 3.941 0 40 FHAB CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 223658687 GSGDGDPAAFEWBN-UHFFFAOYSA-N 361.463 3.990 0 40 FHAB CCO[C@@](C)(C(=O)Nc1ccc(O[C@@H](C)COC)c(Cl)c1)C1CC1 225725788 ZRTZKDQKLWAIEV-KPZWWZAWSA-N 355.862 3.897 0 40 FHAB O=C(c1cc2nccnc2cc1F)N1CCCc2c(OC(F)F)cccc21 571356770 UZHWHDYMJGGKRF-UHFFFAOYSA-N 373.334 3.963 0 40 FHAB O=C(COCCOc1ccccc1)Nc1nnc(C2CCCCC2)s1 40131947 ZGDHQDSTRHZXMT-UHFFFAOYSA-N 361.467 3.620 0 40 FHAB CCOCCOc1ncc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cc1C 225900987 YSKOWAWBHNJJBJ-YWZLYKJASA-N 364.486 3.729 0 40 FHAB Cc1nn(CC(=O)N[C@@H](C)c2cccc(Cl)c2)c(C)c1Br 40152577 IVCPEOPRWBMOGF-VIFPVBQESA-N 370.678 3.793 0 40 FHAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC2CCCC2)cc1 222772150 NYBICIXPWMHLCL-AQTBWJFISA-N 370.474 3.586 0 40 FHAB COc1cc2c(cc1S(=O)(=O)NC(C)(C)Cc1ccccc1)CCCC2 225262660 WRSOCMCNOWATPS-UHFFFAOYSA-N 373.518 3.874 0 40 FHAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCOC)nc1C 225897751 JWWHBFCOTSUEGM-IBGZPJMESA-N 352.475 3.729 0 40 FHAB C[C@@H](NC(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1)c1cncc(F)c1 331642975 VECBBIQCGTZEDB-SJKOYZFVSA-N 363.820 3.718 0 40 FHAB COc1ccc(Cc2nc3nccc(-c4ccc(OC)cc4F)n3n2)cc1 95475857 DHBQSCFFMSAKOO-UHFFFAOYSA-N 364.380 3.538 0 40 FHAB O=C(Nc1ccc(F)cc1)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 91690215 RABMLCQOAFNPSS-INIZCTEOSA-N 356.397 3.813 0 40 FHAB Cc1c(-c2nnc3sc(CN4CCCCC4)nn23)oc2ccccc12 96194441 XLUFAZPKJJYBIQ-UHFFFAOYSA-N 353.451 3.893 0 40 FHAB Cc1cccc(N(CC(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)c1 242598052 CJKMSHNATDVQSH-UHFFFAOYSA-N 360.479 3.523 0 40 FHAB CC1(C)Oc2ccccc2[C@H]2OCC3(C[C@@H]21)CN(Cc1ccc(F)cn1)C3 257201776 AJAMPCBEBBJZLY-AZUAARDMSA-N 368.452 3.972 0 40 FHAB CCNC(=O)C1(Cc2cccc(-c3cc(F)ccc3OC)c2)CCOCC1 257198096 SPKZOQCWVJBTCO-UHFFFAOYSA-N 371.452 3.977 0 40 FHAB Cc1noc(C)c1-c1ccc2ccn(CC(=O)NC3CCCCC3)c2n1 257259083 KWTNNCHUEIYYLW-UHFFFAOYSA-N 352.438 3.757 0 40 FHAB Cc1cc(N2CCC[C@H](C)C2)nc(NC(=S)NCc2ccc(F)cc2)n1 260710205 DSWXVOYIMAYAHX-ZDUSSCGKSA-N 373.501 3.647 0 40 FHAB C[C@H](NC(=O)N1CCN(c2cccc3[nH]ccc23)CC1)C1CCC(F)CC1 624381417 OIBJIDKRYYRLPJ-GTPINHCMSA-N 372.488 3.916 0 40 FHAB CC[C@H](C)[C@H](C)C(=O)N(C)CCN(C)C(=O)C12CC(C(C)(C)C)(C1)C2 1615612332 WPOUWAQMINLSAO-RKAKKKFESA-N 350.547 3.802 0 40 FHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)C1(c2ccccc2)CCCC1 36037111 LKDBISXLEVVXOM-UHFFFAOYSA-N 351.446 3.928 0 40 FHAB CCOc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)cc1 1776009372 XSZBMEGXSASEJY-HOTGVXAUSA-N 359.857 3.944 0 40 FHAB c1ccc2sc(N3CCN(c4ncnc5sccc45)CC3)nc2c1 73860925 PKQBGVNKDCVUFR-UHFFFAOYSA-N 353.476 3.628 0 40 FHAB Cc1cc(NC(=O)CC(C)C)c(=O)n(Cc2c(F)cccc2Cl)c1 5000899 IPNHKNWWCPIKKT-UHFFFAOYSA-N 350.821 3.982 0 40 FHAB Cc1noc(C)c1C(=O)OCc1ccc(C(=O)Nc2ccccc2)cc1 5195304 BDEKRSJXFZFCHU-UHFFFAOYSA-N 350.374 3.901 0 40 FHAB Cc1ccccc1-c1nnn(Cc2c(C)nn(-c3ccccc3)c2Cl)n1 5298086 DKBWVWUQGFIEPB-UHFFFAOYSA-N 364.840 3.844 0 40 FHAB CNC(=O)C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 5914029 ULNYPGONSNDZSZ-HNNXBMFYSA-N 351.233 3.601 0 40 FHAB Cc1cc([C@H]2c3cc4c(cc3CCN2C(=O)C2CCCCC2)OCO4)on1 12186260 MDQVQHZSBNZJKV-HXUWFJFHSA-N 368.433 3.766 0 40 FHAB COc1ccccc1C[C@H](C)NC(=O)c1cc(=O)c2cc(C)c(C)cc2o1 12196958 YVVZLFZTEOLBPA-HNNXBMFYSA-N 365.429 3.779 0 40 FHAB O=C(Nc1ccc(N2CCCC2=O)cc1)[C@H]1COc2ccc(Cl)cc2C1 12767868 NUQSMMGCFYBHFA-CQSZACIVSA-N 370.836 3.657 0 40 FHAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cccc(Cl)c2C)cc1 14396247 STZBSJIHYBOEQS-UHFFFAOYSA-N 366.870 3.687 0 40 FHAB Cc1cc(-c2csc(NC(=O)c3ccc(C)n(C)c3=O)n2)ccc1F 19131896 AWHRLSMVIHTOPU-UHFFFAOYSA-N 357.410 3.517 0 40 FHAB O[C@]1(c2ccccc2)CCN(Cc2cccc(OCc3cccnc3)c2)C1 19369775 OOJLCXLYARXGMK-HSZRJFAPSA-N 360.457 3.754 0 40 FHAB CN1CCc2nc([C@@H]3CCCCN3CCCc3ccccc3)ncc2C1 19590310 HTIAXXZBEGUVBM-NRFANRHFSA-N 350.510 3.624 0 40 FHAB Cc1nc(-c2ccccc2F)sc1C(=O)N1CCC[C@@H](N2CCCC2)C1 19714418 QFJULPHQKRCUAK-OAHLLOKOSA-N 373.497 3.958 0 40 FHAB COc1cccc(-c2cc(C(=O)Nc3cccc(-n4cccn4)c3)on2)c1 19718588 JEQHEJMIBQDINT-UHFFFAOYSA-N 360.373 3.788 0 40 FHAB CN1Cc2ccccc2[C@H](NC(=O)c2occc2COc2ccccc2)C1 535267944 DVRVUZGUKOWARM-HXUWFJFHSA-N 362.429 3.775 0 40 FHAB COc1cc(OC)cc(-c2nnc(SCc3cn4ccccc4n3)o2)c1 4492703 NOYKCHMAOFRPJK-UHFFFAOYSA-N 368.418 3.694 0 40 FHAB CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1Cl 5120274 DDHTYJVXYUTDPB-UHFFFAOYSA-N 374.687 3.923 0 40 FHAB Cc1cc(N2CCC[C@@H](c3ncc(Cc4ccc(F)cc4)o3)C2)ncn1 2037666341 BYXPPDHSASYHIX-MRXNPFEDSA-N 352.413 3.887 0 40 FHAB CCCn1cc(S(=O)(=O)c2ccc(OC)cc2)c(=O)c2cc(C)ccc21 4193279 RDMCIUJKRGUFPN-UHFFFAOYSA-N 371.458 3.561 0 40 FHAB O=C(Cc1cc(-c2ccc(Cl)cc2)on1)Nc1ccc2c(c1)OCCO2 12422194 ZICMXPKGUCRIPZ-UHFFFAOYSA-N 370.792 3.947 0 40 FHAB O=C(NC[C@@H]1CCCN1c1nc2ccccc2o1)c1cc2ccccc2o1 206771086 FGLYQQGCLMVXEK-HNNXBMFYSA-N 361.401 3.973 0 40 FHAB O=C(Cc1ccc(F)cc1)OCc1cc(=O)oc2cc(O)c(Cl)cc12 40005230 JGQPOXGHRMPGLS-UHFFFAOYSA-N 362.740 3.577 0 40 FHAB C[C@@H](Sc1nncs1)C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 40138895 BPGQVVGNJBOTLX-VXGBXAGGSA-N 374.491 3.566 0 40 FHAB CCC(CC)c1nnc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)s1 20612765 YYTMFASUEPPJMF-UHFFFAOYSA-N 366.531 3.665 0 40 FHAB Cc1ccc(-n2ncc3c2N=C(O)C[C@@]32C(=O)Nc3ccccc32)cc1C 20725786 LWIUHTVDEQNROM-NRFANRHFSA-N 358.401 3.719 0 40 FHAB COC(=O)c1cnc(NC(=O)/C=C/c2ccc(-c3ccccc3F)o2)s1 32494488 XFOUVBSWZULSLX-VQHVLOKHSA-N 372.377 3.981 0 40 FHAB CCOc1ccc(-c2nc(NC(=O)COc3ccccc3Cl)no2)cc1 32623986 XVCKZBWTOPHYTJ-UHFFFAOYSA-N 373.796 3.806 0 40 FHAB CCc1cc2oc(=O)cc(CN3C(=O)c4ccccc4C3=O)c2cc1Cl 32744868 QQCVXBGVDABTKF-UHFFFAOYSA-N 367.788 3.805 0 40 FHAB CCOc1ccc([C@@H](C)NC(=O)c2nc(SC)ncc2Cl)cc1 32753468 JMXQHQHAYYYNQM-SNVBAGLBSA-N 351.859 3.742 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(F)cc1 32744979 BBJPVHAQSNJGDO-OAQYLSRUSA-N 370.468 3.785 0 40 FHAB CNC(=O)c1cccc(N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)c1 32850988 XWUZHPODLZKKRX-HXUWFJFHSA-N 359.429 3.838 0 40 FHAB Cc1nn(C)c2ncc(NC(=O)c3cc(-c4cccc(Cl)c4)on3)cc12 32830384 GSAIGJWRYXXUBZ-UHFFFAOYSA-N 367.796 3.837 0 40 FHAB Cc1nn(C)c(C)c1CCC(=O)O[C@H](C)C(=O)c1c(C)[nH]c2ccccc12 32862205 PWVVZJIHPQYSQA-OAHLLOKOSA-N 367.449 3.574 0 40 FHAB CCOc1ccc(N2C(=O)C[C@@H](Nc3ccc(SC)cc3)C2=O)cc1 103022450 OOPNNVBELGSYOK-QGZVFWFLSA-N 356.447 3.551 0 40 FHAB Cc1c(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)oc2c(C)cccc12 53154214 JYCRLDWZUAHTFJ-CQSZACIVSA-N 371.458 3.944 0 40 FHAB CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc2ccccc2n1 41776255 GHIVRVUHKHYLDL-UHFFFAOYSA-N 354.431 3.669 0 40 FHAB CC1CCN(C(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 778807 NELDVPRLTMODON-UHFFFAOYSA-N 352.881 3.950 0 40 FHAB c1ccc(-c2csc(CNC3CCN(c4ncccn4)CC3)c2)cc1 54040739 GDXWYIYSQBOAEL-UHFFFAOYSA-N 350.491 3.964 0 40 FHAB Cc1sc2ncn(Cc3ccc(C(=O)OC(C)C)cc3)c(=O)c2c1C 957790 IYUMYJZSSWLMSD-UHFFFAOYSA-N 356.447 3.688 0 40 FHAB COc1ccccc1N1CCN(c2ncnc3sc(C)c(C)c23)CC1 948480 NCXZTDVJNMMTQB-UHFFFAOYSA-N 354.479 3.643 0 40 FHAB COC(=O)c1sc(NC(=O)C2(c3cccc(Cl)c3)CCC2)nc1C 42688420 YNZBAEOGWABROF-UHFFFAOYSA-N 364.854 3.952 0 40 FHAB COc1cc(OC)c([C@@H]2Nc3ccccc3-c3cc(C)nn32)cc1OC 817717 ZPSHBWWRCDRBJV-HXUWFJFHSA-N 351.406 3.857 0 40 FHAB Cc1cc(C)c2cc(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)[nH]c2c1C 24363147 VOSNBJAMDZCNOQ-UHFFFAOYSA-N 374.444 3.602 0 40 FHAB COc1ccccc1[C@H](O)CNC(=O)Nc1cccc(Cl)c1Cl 43263499 YOLCXMASBPXIEB-CYBMUJFWSA-N 355.221 3.857 0 40 FHAB COc1cccc(CSc2nnc(-c3cccc(OC(C)C)c3)n2N)c1 6389422 XOTDQMBLNBAKHR-UHFFFAOYSA-N 370.478 3.747 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1nc2c(C)cccc2s1 6790224 LPGUDXGNTUSLFK-UHFFFAOYSA-N 370.430 3.833 0 40 FHAB COc1ccc(N2C[C@@H](C(=O)Oc3ccc4ccccc4c3)CC2=O)cc1 7928970 GAVOVZKNPDPXBZ-KRWDZBQOSA-N 361.397 3.807 0 40 FHAB CCOc1cc(CNC[C@H](C)O)cc(Cl)c1OCc1ccc(F)cc1 8254006 QTHRDOIHIKAEOC-ZDUSSCGKSA-N 367.848 3.927 0 40 FHAB Cc1ccc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)c(O)c1 8378903 QJQZJTOQWFRJOJ-UHFFFAOYSA-N 354.450 3.757 0 40 FHAB CCCCc1ccc(NC(=O)CCNC(=O)C(C)(C)Br)cc1 8733017 SGBLVHPBAPYMDM-UHFFFAOYSA-N 369.303 3.648 0 40 FHAB O=C(NC1CCN(CCSc2ccccc2F)CC1)c1ccccc1 25828619 CNZHVCBUFKFUKA-UHFFFAOYSA-N 358.482 3.812 0 40 FHAB O=C(N[C@H]1CCc2cc(Cl)ccc21)c1cccc(CN2CCCC2=O)c1 56998795 LDBIJAGVXDJMOI-IBGZPJMESA-N 368.864 3.880 0 40 FHAB Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@H](C1)N2C(=S)NCC(C)C 100426797 JDIHTPXCQWGHNX-QZTJIDSGSA-N 373.566 3.641 0 40 FHAB COc1cccc(CNC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)c1 51364590 ZVGYGIFADXBFAG-IBGZPJMESA-N 374.440 3.531 0 40 FHAB O=C(N[C@@H](Cc1ncc[nH]1)c1ccccc1)c1ccc(OC(F)F)cc1 12531933 XRAARQAPRUUHKY-INIZCTEOSA-N 357.360 3.725 0 40 FHAB CC[C@@H](C)n1nccc1NC(=O)COc1ccc(Br)cc1 9250481 CNPKRGFWCZKKTA-LLVKDONJSA-N 352.232 3.634 0 40 FHAB Cc1noc([C@H](C)N2CCN(Cc3ccc(-c4ccccc4)s3)CC2)n1 27268691 FGBYWZAKNCKQJW-HNNXBMFYSA-N 368.506 3.985 0 40 FHAB COc1ccc(CC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1 27662187 AHOXJWOHDZHXJV-HXUWFJFHSA-N 372.896 3.844 0 40 FHAB biogenic CC(C)(C)OC(=O)N1CCC[C@H](C(C)(C)C(=O)NCCc2ccco2)C1 95453940 VOZGNOLOCZXTPI-HNNXBMFYSA-N 364.486 3.612 0 40 FHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 20043745 GHYZVIPSJIKEHT-RDTXWAMCSA-N 373.449 3.747 0 40 FHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1ccccc1 10506915 PUAKCMAYAVGGIM-UHFFFAOYSA-N 358.445 3.748 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccnn1Cc1ccccc1 28291054 PESROXPJCMDUSV-QGZVFWFLSA-N 353.397 3.867 0 40 FHAB Cc1ccc(Cn2nccc2NC(=O)COc2ccccc2Cl)cc1 28291478 KXGJLLLMGMKTPL-UHFFFAOYSA-N 355.825 3.911 0 40 FHAB CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1 3262100 DGDAJDIQIWBTES-UHFFFAOYSA-N 355.390 3.508 0 40 FHAB CC1(C)CC(O)CC(C)(C)N1C[C@H](O)CO[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C 101214115 NVKSSTCWFDFJDJ-JVGYHMDPSA-N 367.574 3.593 0 40 FHAB CC(C)n1ncc2c(C(=O)N3CCO[C@H](C)C3)cc(-c3ccccc3)nc21 11496354 BLKPNCMVXBQDME-OAHLLOKOSA-N 364.449 3.540 0 40 FHAB CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1 11404039 SCLLRLSHFRSYGS-GOSISDBHSA-N 354.475 3.824 0 40 FHAB O=C(Nc1cccc(OC2CCCC2)c1)C1CCN(C(=O)C2CC2)CC1 29021765 CJKNNHDBDRKUHO-UHFFFAOYSA-N 356.466 3.595 0 40 FHAB COc1ccccc1[C@@H](CNC(=O)[C@H]1C[C@@H]2CC[C@@H]1C2)N1CCCCC1 102779643 RMXACZLFLZOSLX-IZBJGVDFSA-N 356.510 3.775 0 40 FHAB CC(C)(C)[C@@H]1CCc2sc(C(=O)NCc3ccc(C(N)=O)cc3)cc2C1 36727705 QYSYXCRNFPYBPQ-MRXNPFEDSA-N 370.518 3.928 0 40 FHAB CCOC(=O)c1oc2ccccc2c1CNC(=O)c1ccc(OC)cc1 60371234 KZPBBSHBZREWSN-UHFFFAOYSA-N 353.374 3.548 0 40 FHAB CCN(C(=O)c1cc2c(=O)n3ccccc3nc2s1)c1cccc(C)c1 2722835 ICCQVJYOMSOFGT-UHFFFAOYSA-N 363.442 3.884 0 40 FHAB Cn1cc(-c2nnc(Nc3ccn(Cc4ccccc4Cl)n3)s2)cn1 2730616 XQHGWASMFZKTKA-UHFFFAOYSA-N 371.857 3.580 0 40 FHAB O=C(NC1CCCCC1)c1ccccc1NC(=O)c1ccccc1C(=O)O 12291821 UCFSBMQEPIWERG-UHFFFAOYSA-N 366.417 3.700 0 40 FHAB Cc1ccc(NC(=S)N(C)Cc2cc3ccccc3n(C)c2=O)cc1 12324199 CVFAMJWZYMNBSA-UHFFFAOYSA-N 351.475 3.676 0 40 FHAB CCOc1ccc(-c2nnc(NC(=O)/C=C/c3ccc(OC)cc3)o2)cc1 20496025 YEFBRVNGGFWGNH-AWNIVKPZSA-N 365.389 3.796 0 40 FHAB O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1NCN1CCOCC1 21763050 RVMPTKGJVATQND-UHFFFAOYSA-N 369.852 3.550 0 40 FHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(-n2ccnc2)cc1 20112098 LOQWWHKYQFPLMP-CQSZACIVSA-N 355.825 3.609 0 40 FHAB Cc1ccc(CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1 3364512 BPTRPOMSXRACHW-UHFFFAOYSA-N 363.446 3.977 0 40 FHAB CN(CCc1ccccn1)C(=O)c1cc(Br)ccc1Cl 37976359 BZXWBQPNINIFDJ-UHFFFAOYSA-N 353.647 3.812 0 40 FHAB O[C@@H](CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1 25217791 OLYOSAMUPWLZNO-SFHVURJKSA-N 368.374 3.700 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc3ncsc3c2)c1 3478869 GUZYJEYCSRQVPK-GFCCVEGCSA-N 368.414 3.683 0 40 FHAB COc1ccc2c(CC(=O)OCC(=O)Nc3c(C)cccc3C)coc2c1 3419546 VQHGFCRNEVZRSF-UHFFFAOYSA-N 367.401 3.783 0 40 FHAB O=S(=O)(c1cccc(Br)c1)N1CCC[C@H]1c1ccccc1 12915778 AZEVZTDWDNJQDI-INIZCTEOSA-N 366.280 3.975 0 40 FHAB COc1ccccc1NC(=O)c1cnc2c(-c3ccccc3)cnn2c1C 38829577 GDIXZHKNKIWVDK-UHFFFAOYSA-N 358.401 3.966 0 40 FHAB O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1cc2c(s1)CCCCC2 84432664 GBKNVLMPVNVKFV-MRXNPFEDSA-N 372.490 3.531 0 40 FHAB c1ccc(-c2cc3c(nc(NC[C@H]4CCCO4)n4ncnc34)s2)cc1 13680652 RJFJIOFDGAPWDK-CYBMUJFWSA-N 351.435 3.597 0 40 FHAB COc1ccc2c(ccn2CCC(=O)Nc2cccc(NC(C)=O)c2)c1 13693646 SLVFNZAQGDCNSQ-UHFFFAOYSA-N 351.406 3.637 0 40 FHAB COc1ccc(-c2nc(CC(=O)N3CCc4ccccc43)cs2)cc1 13733356 CQPZUJZISCCHBQ-UHFFFAOYSA-N 350.443 3.951 0 40 FHAB Cc1ccc(N2C[C@@H](c3nc(-c4ccncc4)no3)CC2=O)cc1Cl 9318569 BPBJBBIODWYQKL-ZDUSSCGKSA-N 354.797 3.614 0 40 FHAB COc1ccc([C@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)cc1 6256295 ARYHBKZHNAUSLY-KRWDZBQOSA-N 357.479 3.952 0 40 FHAB Cc1ccccc1-c1nn2c([C@H]3COc4ccccc4O3)nnc2s1 4384003 GIVIBXISRCOEJJ-OAHLLOKOSA-N 350.403 3.674 0 40 FHAB CN1CCN(C(=O)CCc2ccccc2Cl)c2nc3ccccc3nc21 25090522 USVWCSBMKXTXPA-UHFFFAOYSA-N 366.852 3.699 0 40 FHAB CCN(Cc1ccccc1)C(=O)c1cc2c(OC)c(OC)c(OC)cc2[nH]1 5346716 UZCNEZUSTJGEPB-UHFFFAOYSA-N 368.433 3.856 0 40 FHAB Cc1ccc2c(CC(=O)OCC(=O)c3ccc4c(c3)OCO4)coc2c1C 5301606 HZZGVYFIUQKQCQ-UHFFFAOYSA-N 366.369 3.747 0 40 FHAB C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)c1ccc(Cl)cc1 4555263 QZKABEWLXKGTPH-DZGCQCFKSA-N 371.820 3.508 0 40 FHAB C[C@H](NC(=O)CSc1ccc(F)c(F)c1)c1ccc(-n2cncn2)cc1 14247997 UQTTWHFRVWJWLY-LBPRGKRZSA-N 374.416 3.515 0 40 FHAB C/C=C/c1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c(OC)c1 5455830 VERMTMJFLANWTN-ONEGZZNKSA-N 355.390 3.517 0 40 FHAB COC(=O)C[C@H](NC(=O)/C=C/c1cccc(F)c1)c1ccc(Cl)cc1 14809917 MKIPTRLYQFEGOW-HQWZXOHUSA-N 361.800 3.913 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)n1cccc/c1=N\C1CCCCC1 14806716 HMWYXJRRMNPAJK-LSDHQDQOSA-N 352.434 3.723 0 40 FHAB CSc1ncc(Cl)c(C(=O)Oc2ccccc2Br)n1 6810428 CFCGQXCLWUXIBS-UHFFFAOYSA-N 359.632 3.834 0 40 FHAB Clc1cc(CN2CCc3c(ncn3C3CC3)C2)cc2c1OCCCO2 95394558 BQJCLLKSHMTZOX-UHFFFAOYSA-N 359.857 3.591 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)COc1cccc(C(F)(F)F)c1 6938924 BLSMRTRKGSAFDJ-GFCCVEGCSA-N 353.340 3.970 0 40 FHAB O=C(NC[C@H](Cc1ccccc1)NC(=O)[C@H]1CC=CCC1)[C@H]1CC=CCC1 68567348 UZKORHJNMPCSSQ-ACRUOGEOSA-N 366.505 3.543 0 40 FHAB COc1ccc(-c2noc(CSc3nnc(C4CC4)n3C3CC3)n2)cc1 7905956 IGRWXJQBEDTQEO-UHFFFAOYSA-N 369.450 3.841 0 40 FHAB O=C(NC[C@@H]1CCCO1)c1cc(-c2cccs2)nn1-c1ccccc1 8132181 DAYWOYYQWSEWAO-HNNXBMFYSA-N 353.447 3.510 0 40 FHAB COc1ccccc1OCCNC(=O)NCCCSc1ccccc1 70037282 RWHRHCWSEDWFJP-UHFFFAOYSA-N 360.479 3.556 0 40 FHAB COCC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccccc2C)CC1 69737442 FIFXCFPTMRJWHR-NRFANRHFSA-N 358.526 3.625 0 40 FHAB C[C@@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)N[C@H]1CCCc2ccccc21 18365872 GCIKEZXAOHSNFU-DOMZBBRYSA-N 368.462 3.739 0 40 FHAB CCCNC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2C)ccc1C 408602675 IQOQXPNONKGQJY-UHFFFAOYSA-N 360.479 3.552 0 40 FHAB CCc1ccccc1NC(=O)CNC(=O)N[C@@H](c1ccccc1)C1CC1 9935898 SWQSTVXJTCECQQ-FQEVSTJZSA-N 351.450 3.638 0 40 FHAB CCNC(=O)C1CCN(C(=O)[C@H](CC)c2cccc(C(F)(F)F)c2)CC1 75108173 LRNIJAYHDZETAF-MRXNPFEDSA-N 370.415 3.574 0 40 FHAB C[C@H](NC(=O)NC[C@H](O)c1ccccc1F)c1ccc2c(c1)CCCC2 61963375 TZYLYKPLAZVNFU-XOBRGWDASA-N 356.441 3.798 0 40 FHAB Cc1cc(C)n(-c2nc3ccc(I)cc3s2)n1 216769327 VGKZKLQABYIZQZ-UHFFFAOYSA-N 355.204 3.703 0 40 FHAB COc1ccccc1N1CCN(C(=O)[C@H](C)SCc2ccccc2)CC1 20238723 GEZVKQQQLBEHBQ-KRWDZBQOSA-N 370.518 3.666 0 40 FHAB COc1cc(C(=S)NC[C@@H]2CCCO2)ccc1OCc1ccccc1 408578172 WKZSFJMYDULKJA-KRWDZBQOSA-N 357.475 3.718 0 40 FHAB O=S(=O)(Oc1c(Cl)cc(Cl)cc1CO)c1ccc(Cl)cc1 409110941 AIQNTUSCJSGZEI-UHFFFAOYSA-N 367.637 3.907 0 40 FHAB Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(C)cc2C)S(C)(=O)=O)c1 33532220 CFQSLVKLOTWHPA-QGZVFWFLSA-N 374.506 3.713 0 40 FHAB Cc1ccccc1C1=NO[C@H](CC2(C(=O)O)CCN(CC(C)C)CC2)C1 72389721 NSOPTCYUQALWHZ-KRWDZBQOSA-N 358.482 3.701 0 40 FHAB Cc1ccccc1[C@@H](C(=O)O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 563285270 XOXYDGQNTGSGDJ-APWZRJJASA-N 355.409 3.855 0 40 FHAB COc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1C 224851236 ATLYPPBWMFGZLG-UHFFFAOYSA-N 352.478 3.920 0 40 FHAB CC(C)(C)OC(=O)N1CCC(CNc2cccc(Br)n2)CC1 40434971 BFDJDFMKFRTORA-UHFFFAOYSA-N 370.291 3.903 0 40 FHAB C[C@@H]1CCCCN1c1cc(Cl)nc(NC(=S)NC2CCCC2)n1 226007260 DCPYPUSAYPHJNC-LLVKDONJSA-N 353.923 3.738 0 40 FHAB CC1CCN(C(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 225804849 LAGSGUXRKFMHLJ-UHFFFAOYSA-N 367.371 3.947 0 40 FHAB COC(=O)c1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1 46895259 OUZDCNGWDAUEPR-UHFFFAOYSA-N 355.781 3.565 0 40 FHAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCCC1=CCCCC1 222901781 VXCZGZGSNHDKGU-MRXNPFEDSA-N 360.473 3.960 0 40 FHAB COC(=O)c1ccccc1NC(=O)c1ccc(OC)c(COC(C)C)c1 224427638 DIRSIVLRVIVGPE-UHFFFAOYSA-N 357.406 3.659 0 40 FHAB Cc1ccc(NC(=O)N[C@H](C)c2ccccc2Cl)cc1-n1cnnn1 44246648 ABRQWGHQMRABKW-GFCCVEGCSA-N 356.817 3.507 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 223801688 OZTMBLRKAWHOSW-QGZVFWFLSA-N 370.468 3.538 0 40 FHAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCCOc1ccc(F)cc1 224289532 RCDMCSDQHKIFGW-OAHLLOKOSA-N 353.393 3.941 0 40 FHAB CC(C)(C)c1ncc(NS(=O)(=O)c2cc(Cl)sc2Cl)cn1 63850221 OTPAEMLELHQKOI-UHFFFAOYSA-N 366.295 3.943 0 40 FHAB Cc1cc([C@H]2CCCCN2Cc2c[nH]cn2)nc(-c2c(C)noc2C)n1 257288540 PUPCZYLLXBNMOD-QGZVFWFLSA-N 352.442 3.507 0 40 FHAB COc1ccc(CC(=S)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 1775969071 WILOMWACTKHUJZ-UHFFFAOYSA-N 364.511 3.554 0 40 FHAB C[C@@H]1C[C@@H](NC[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)c2nccn21 624107691 UDECOGLRKSGOMJ-HBGVWJBISA-N 372.472 3.876 0 40 FHAB O=C(c1ccc(Cl)s1)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 575618183 TXZOLNZSLIDZQS-LBPRGKRZSA-N 373.865 3.589 0 40 FHAB O=C(NCc1cccnc1OCc1ccccc1)c1ccnc(Cl)c1 48332545 ZMZOCZGMBGFCFO-UHFFFAOYSA-N 353.809 3.639 0 40 FHAB C[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccccc1 3212047 WYZUJXRLCCWWJN-UKEODDKASA-N 360.413 3.928 0 40 FHAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2ccccn2)N1c1ccc(F)cc1 1615160967 UZGDBQVVWBJAHC-OALUTQOASA-N 353.441 3.883 0 40 FHAB Cc1sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)nc1-c1ccc(F)cc1 5792522 ALWYQLPHYBYLCO-DHMWGJHJSA-N 372.421 3.719 0 40 FHAB CN(C)c1cccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)c1 11251741 IHFJECBOUBMWQM-UHFFFAOYSA-N 366.383 3.762 0 40 FHAB O[C@H](CN1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc(Cl)cc1 12329739 AFKAZPMURQQVBP-RBUKOAKNSA-N 373.880 3.724 0 40 FHAB Cc1ccc(CN2CCc3nc4cc(C(C)(C)C)nn4c(O)c3C2)s1 12666908 GSIXLIMOGBYCSB-UHFFFAOYSA-N 356.495 3.661 0 40 FHAB CCOc1ccc(C(=O)N(C)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 13479874 KKTWPWPSYRLMOA-UHFFFAOYSA-N 350.418 3.507 0 40 FHAB COCc1ccc(C(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)cc1 15827936 SMYAUQJUASXJEO-IBGZPJMESA-N 355.434 3.828 0 40 FHAB Cc1ccc(Cn2nccc2NC(=O)COc2ccc(Cl)cc2)cc1 18233429 RWZRRNWLRJHURN-UHFFFAOYSA-N 355.825 3.911 0 40 FHAB CCc1nccn1[C@H](C)C(=O)Nc1ncc(-c2ccc(C)c(C)c2)n1C 19666335 SIRABMGUOHWDPK-OAHLLOKOSA-N 351.454 3.663 0 40 FHAB Cc1ccc([C@@H]2CCCN2C(=O)c2cc(-c3cn(C)nc3C)no2)cc1C 19213841 VKWNOZUIBYNORX-IBGZPJMESA-N 364.449 3.978 0 40 FHAB COc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)c(OC)c1OC 21898743 IZXMYSCZELVGPB-CQSZACIVSA-N 359.447 3.679 0 40 FHAB Cc1ccc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)cc1C 1204351345 ILIFEIRDKSGKJX-UHFFFAOYSA-N 364.489 3.701 0 40 FHAB FC(F)c1cc(N2CCN(c3nc4ccccc4o3)CC2)nc(C2CC2)n1 1888913459 MPIBFJPTGDFEQO-UHFFFAOYSA-N 371.391 3.759 0 40 FHAB COc1ccc(C(=O)NCCc2csc(-c3ccc(OC)cc3)n2)cc1 4167113 JUMRCOHBKKNOBX-UHFFFAOYSA-N 368.458 3.800 0 40 FHAB Cc1ccc(-n2ncc3c(=O)n(Cc4cccc(Cl)c4)cnc32)cc1 4268629 MRKGYZHBVSRALF-UHFFFAOYSA-N 350.809 3.592 0 40 FHAB O=C(Cc1ccc(Cl)cc1)Nc1cc2c3c(c1)CCC(=O)N3CCC2 5154025 NCQISIANQDCZJE-UHFFFAOYSA-N 354.837 3.747 0 40 FHAB CCCOc1ccc([C@@H](O)[C@H](CN2CCOCC2)c2ccccc2)cc1 20790174 TVWLDXUMIAMJBJ-FGZHOGPDSA-N 355.478 3.625 0 40 FHAB Cc1ccc(C(=O)N2CCCC[C@H]2CCS(=O)(=O)c2ccccc2)cc1 27988158 AUZVBPGKABJMAK-IBGZPJMESA-N 371.502 3.854 0 40 FHAB O=C(Nc1nc2c(s1)CCCC2)c1ccc(O[C@@H]2CCSC2)nc1 225712036 ZVVRVVSRIOJQSV-GFCCVEGCSA-N 361.492 3.554 0 40 FHAB O=C(NCCn1cc(-c2ccco2)cn1)c1ccccc1SC(F)F 575615058 MEFFRWOXMOHUMY-UHFFFAOYSA-N 363.389 3.888 0 40 FHAB COCCNc1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccccc1 12419242 IMSFGFOSEWDHHV-UHFFFAOYSA-N 372.446 3.541 0 40 FHAB Cc1ccc(CN(C)C(=O)Nc2cccc(CN3CCCC3=O)c2)cc1 40104946 WQHRURUKHBRATF-UHFFFAOYSA-N 351.450 3.781 0 40 FHAB O=C(NCCSCc1ccccc1F)c1cc(-c2cccnc2)on1 40131211 HBRJCHTZDPOVNH-UHFFFAOYSA-N 357.410 3.539 0 40 FHAB O=C(c1ccc(Cl)c(Cl)c1)N1CCC(c2nnc3n2CCC3)CC1 40146911 UXSFGMRHULWMTB-UHFFFAOYSA-N 365.264 3.551 0 40 FHAB O=C(NCCCSc1ccc(F)cc1)NCc1ccc2c(c1)OCO2 31036650 NEVILUXRVMHLRZ-UHFFFAOYSA-N 362.426 3.536 0 40 FHAB COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@@H]2CC[C@H](C)[C@H](C)C2)cc1 101106483 IECONGJAZOYYLQ-TZOHYUNLSA-N 372.465 3.691 0 40 FHAB CC[C@@H](C(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1)c1ccccc1 32994717 VLPPCBQCBZKNBJ-OAQYLSRUSA-N 350.462 3.732 0 40 FHAB O=C(Nc1ncc2c(n1)C[C@H](c1ccc(F)cc1)CC2=O)c1ccccc1 893686 FXRUFDVFSAESRN-HNNXBMFYSA-N 361.376 3.781 0 40 FHAB COc1ccc(C)cc1NC(=O)CCC(=O)Nc1cc(C)ccc1OC 674421 YQDXNXOBCVKPMY-UHFFFAOYSA-N 356.422 3.678 0 40 FHAB COc1cc(OC)c(C(=O)N2CCC(Cc3ccccc3)CC2)cc1OC 808373 UJMUXNCHTVQBFZ-UHFFFAOYSA-N 369.461 3.807 0 40 FHAB C[C@H](C(=O)NCc1ccco1)n1cc(C(=O)c2ccco2)c2ccccc21 811911 MSIZTGSXAQSJIZ-CQSZACIVSA-N 362.385 3.936 0 40 FHAB COc1ccc2nc3sc(C(=O)NCc4ccccc4)c(N)c3cc2c1 862126 PVNWVSHQVNUJJR-UHFFFAOYSA-N 363.442 3.970 0 40 FHAB C[C@H](CC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1)c1ccccc1 917625 ASUPIKISFAJHPG-GFCCVEGCSA-N 374.487 3.832 0 40 FHAB COc1cc(C(=O)Nc2ccccc2N2CCCCC2)cc(OC)c1OC 1045567 ONJMIFREWBTZGZ-UHFFFAOYSA-N 370.449 3.955 0 40 FHAB CCOCc1nnc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)s1 2191223 LETRICRVKRKGAA-UHFFFAOYSA-N 355.847 3.524 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(NC(C)=O)cc1 3357713 CXKZZVUTKGAWGM-LLVKDONJSA-N 362.813 3.713 0 40 FHAB CC(=O)c1cccc(NC(=O)CN(C)Cc2ccc(OC(F)F)cc2)c1 3397956 AIGKRRXJNVTBQG-UHFFFAOYSA-N 362.376 3.561 0 40 FHAB CC(=O)N1CCN(c2nc(-c3cccs3)nc3sc(C)c(C)c23)CC1 3430428 LVSMIZUCBBSFNX-UHFFFAOYSA-N 372.519 3.705 0 40 FHAB CC(C)(C)n1ncc2c(=O)n(Cc3ccc(Cl)c(Cl)c3)cnc21 4166266 BOVZLJMHWKXUOX-UHFFFAOYSA-N 351.237 3.703 0 40 FHAB C[C@H](NC(=O)COc1ccc2ccc(=O)oc2c1)c1cccc(Cl)c1 4580138 IGKJDSKHTLCTBC-LBPRGKRZSA-N 357.793 3.703 0 40 FHAB COc1ccc(Cc2nnc(NC(=O)c3ccccc3C)s2)cc1OC 5549105 GPULHZIBLNBWKY-UHFFFAOYSA-N 369.446 3.707 0 40 FHAB O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1ccccc1Oc1ccccc1 5628444 YXMJBUBNNGAAMO-UHFFFAOYSA-N 364.401 3.712 0 40 FHAB CN(Cc1ccccc1F)C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 5704450 QIWZZBVIDITLEO-UHFFFAOYSA-N 370.468 3.902 0 40 FHAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1COc2ccccc2O1 6890509 DQNWEOSYYQBLDS-CQSZACIVSA-N 355.724 3.720 0 40 FHAB CCc1ccc([C@@H](C)NC(=O)CSc2ccc3c(c2)OCCO3)cc1 6916191 XGJQDMNJUUHKKG-CQSZACIVSA-N 357.475 3.990 0 40 FHAB COc1cc(C(=O)Nc2ncc(C)s2)ccc1OCc1c(C)noc1C 6969165 BTKNWXDPXMZQBK-UHFFFAOYSA-N 373.434 3.896 0 40 FHAB COc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(OC)c1C 8276330 IRMUOPQVTRWBAM-XNTDXEJSSA-N 372.808 3.763 0 40 FHAB CCOC(=O)C1=C(C)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1Cl 8323109 YTDOHKKMZHHCIG-AWEZNQCLSA-N 357.237 3.917 0 40 FHAB Cc1cc(C)cc(NC(=O)c2ccccc2NC(=O)CCCC(=O)O)c1 8434579 LMILOMLWWBNROM-UHFFFAOYSA-N 354.406 3.749 0 40 FHAB Cc1noc(C)c1COc1cccc(C(=O)N[C@H](C)c2cccnc2)c1 8708472 DJQDMRAPQRSVSA-CYBMUJFWSA-N 351.406 3.756 0 40 FHAB CC(C)C(=O)N1CCc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2C1 9036046 AFVPFPAZTAWUBU-UHFFFAOYSA-N 358.388 3.758 0 40 FHAB C[C@H](Cc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1)c1ccccc1 9196744 ZZFXZCCFVFKJIZ-GFCCVEGCSA-N 367.430 3.865 0 40 FHAB C[C@H](NC(=O)COc1ccccc1C(N)=O)c1ccc(-c2ccccc2)cc1 9248087 GLDOYYXBCOCGMT-INIZCTEOSA-N 374.440 3.709 0 40 FHAB Nc1c(C(=O)Nc2nccs2)sc2nc(-c3ccccn3)ccc12 9341584 NBSMBKOTMBLCTJ-UHFFFAOYSA-N 353.432 3.649 0 40 FHAB CCN(C(=O)CSc1nncn1C1CC1)c1cccc2ccccc12 9982083 XWCMQMXYQIJVHN-UHFFFAOYSA-N 352.463 3.911 0 40 FHAB NC(=O)c1ccccc1NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 10770965 GECHGJNRPGTECH-UHFFFAOYSA-N 371.746 3.508 0 40 FHAB O=C(NCc1ccc(COCC(F)(F)F)cc1)c1n[nH]c2ccccc12 11254556 GUTVWWBOJPSYGG-UHFFFAOYSA-N 363.339 3.572 0 40 FHAB CC(C)c1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccc(F)cc2)on1 12145640 SNDVLZQUWKMNCU-INIZCTEOSA-N 368.412 3.930 0 40 FHAB CSc1ccc(CN(C)[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 12744928 RDQRVGXLKRXNGU-LJQANCHMSA-N 358.482 3.999 0 40 FHAB Cc1ccc(OCCCC(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1 12877484 SIAFZBSMQFENFV-UHFFFAOYSA-N 374.868 3.905 0 40 FHAB COc1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)ccc1C 12943528 QPQVBDWPTHTDMI-QGZVFWFLSA-N 353.418 3.752 0 40 FHAB CCCCN1C(=O)CC[C@@H](C(=O)NC2CCCC2)[C@@H]1c1ccccc1OC 12973956 AAHONZVQOHQDFB-NQIIRXRSSA-N 372.509 3.834 0 40 FHAB C[C@@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccccc1Cl 12983618 ZCAHGNIQCJTFKM-CYBMUJFWSA-N 369.852 3.777 0 40 FHAB Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@H](c1cccs1)N(C)C 13003984 JITBUOKWNKIJBB-QGZVFWFLSA-N 369.490 3.673 0 40 FHAB CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1cccc(C)c1 14082085 HIRFVVHTGDUUIV-UHFFFAOYSA-N 358.511 3.814 0 40 FHAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(NC(C)=O)cc2)cc1Cl 14136406 BODVQXKBIYPFAS-NSHDSACASA-N 362.813 3.713 0 40 FHAB COc1cc(OC)c(C(=O)Nc2nc3c(s2)CCCCC3)cc1OC 14158952 RJGHGXSJLLKZLQ-UHFFFAOYSA-N 362.451 3.690 0 40 FHAB Cc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc(F)cc1C)CC3 15841953 PCKYBWBPGTWCSF-UHFFFAOYSA-N 356.422 3.742 0 40 FHAB CCOc1ccc(/C=C/C(=O)Nc2c(O)c3ccccc3oc2=O)cc1 16691403 KNCSUKNYIJQVAK-FMIVXFBMSA-N 351.358 3.549 0 40 FHAB Cc1cc(C(=O)OCc2cc(=O)oc3cc(O)ccc23)c(C)n1C1CC1 17131464 GITRMFSYJBSZHA-UHFFFAOYSA-N 353.374 3.609 0 40 FHAB C[C@@H](CCN1CC[C@@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1)c1ccccc1 19455604 NBDFZZHBQPJTOU-PKOBYXMFSA-N 374.488 3.815 0 40 FHAB Cc1cc(N)cc2nc(-c3ccc(I)cc3)oc12 20134684 ZTGURONTABZLCU-UHFFFAOYSA-N 350.159 3.990 0 40 FHAB CCOC(=O)c1c(NC(=O)c2c(C)noc2C)sc2c1CC[C@H](C)C2 20168385 BPXYCCHKVRXPPX-VIFPVBQESA-N 362.451 3.907 0 40 FHAB CCCCc1c(C)nc(Nc2nc(C)c3cc(OCC)ccc3n2)[nH]c1=O 20634045 ABNVLEHHYMZGLD-UHFFFAOYSA-N 367.453 3.815 0 40 FHAB Cc1ccc(-c2nc(C)c(C(=O)NC[C@@H]3Cc4ccccc4O3)s2)o1 25152784 DNWLRHARVOYBRZ-AWEZNQCLSA-N 354.431 3.753 0 40 FHAB CCn1nc(C)c(CN(C)C(=O)c2ccc(Br)cc2)c1C 28573392 SYYBRMIWBYKMCD-UHFFFAOYSA-N 350.260 3.555 0 40 FHAB Cc1ccc(C(=O)N[C@H](C)c2ccc(C(C)C)cc2)cc1NS(C)(=O)=O 29428730 DTWIPXTWBRCDBG-OAHLLOKOSA-N 374.506 3.981 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)CCSc2nnc(-c3ccccc3)o2)c1 29868743 LDRZKADYMFIWBP-UHFFFAOYSA-N 374.487 3.919 0 40 FHAB Cc1ccc(C(=O)N(CCC(C)C)CCC(C)C)cc1NS(C)(=O)=O 30469194 POAXZQUNGBYNJA-UHFFFAOYSA-N 368.543 3.901 0 40 FHAB COc1ccccc1[C@H](NC(=O)c1ccc(Cl)cc1F)c1nccn1C 32842443 BKYXDDUOUNNUQC-KRWDZBQOSA-N 373.815 3.741 0 40 FHAB CCCS(=O)(=O)c1ccccc1C(=O)N[C@@H](C)c1ccc(CC)cc1 32922818 PZGZPULYLWPXFK-HNNXBMFYSA-N 359.491 3.924 0 40 FHAB C[C@H]1CCCCN1CCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 32931450 HXDBRIUQSGBPSQ-HNNXBMFYSA-N 361.486 3.638 0 40 FHAB O=C1C[C@@H](Nc2ccccc2F)C(=O)N1c1cccc(Cl)c1Cl 36635860 WNUNKWWKODWHNY-GFCCVEGCSA-N 353.180 3.877 0 40 FHAB CCOCCCNC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38856820 FYFPKQMFMVXYKB-CQSZACIVSA-N 373.324 3.748 0 40 FHAB O=C(NCc1ccccc1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 40140084 OIYUDAPIKNUWCJ-UHFFFAOYSA-N 353.372 3.569 0 40 FHAB CC[C@H](C)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N21 43746384 HZPFSRUNQYWHBA-NQZBTDCJSA-N 373.456 3.553 0 40 FHAB biogenic O=C(Cn1ccc(C(F)(F)F)n1)NCC(c1ccccc1)c1ccccc1 43950920 IKYPPDPJNCSNBV-UHFFFAOYSA-N 373.378 3.850 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCCN1CCc2ccccc21 44884939 KHZKTCTWAOCLID-HXUWFJFHSA-N 356.441 3.552 0 40 FHAB CC[C@H]1CCCCN1CCCNC(=O)CSCc1ccc(F)cc1 44899987 JLVGFYLSRBOWKS-SFHVURJKSA-N 352.519 3.830 0 40 FHAB Cc1nc(NC(=O)c2ccccc2-n2cccn2)sc1-c1ccccn1 47249596 MLYXWPCSOVJDEF-UHFFFAOYSA-N 361.430 3.952 0 40 FHAB CCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccc(Cl)s2)c1 48355356 MAGMDWRACKJOJQ-UHFFFAOYSA-N 358.872 3.859 0 40 FHAB O=C(C[C@H]1Sc2ccccc2NC1=O)NCCc1ccc(Cl)s1 53680373 BVASJASTSYLMHW-CYBMUJFWSA-N 366.895 3.563 0 40 FHAB C[C@@H]1Oc2ccccc2N(CCC(=O)N2CCC[C@H]2C2CCCCC2)C1=O 55599969 VUBGLYKUTPAHFZ-WMZOPIPTSA-N 370.493 3.762 0 40 FHAB CCOC(=O)c1cc(-c2ccccc2)ccc1NC(=O)c1ccnc(C)n1 58378062 XSMBZLLCPRYSGN-UHFFFAOYSA-N 361.401 3.881 0 40 FHAB CC(C)CN1CCC(NC(=O)c2ccc(Br)cc2Cl)CC1 58433902 TXDIYOUOERUXGE-UHFFFAOYSA-N 373.722 3.953 0 40 FHAB CCc1noc(C2(NC(=O)COc3ccc(Cl)cc3)CCCCC2)n1 65257766 VCILWFLVKUCYSY-UHFFFAOYSA-N 363.845 3.640 0 40 FHAB O=C1COc2ccc(Br)cc2CN1Cc1cc(F)cc(F)c1 67323798 JKHHMGLEVSGEOZ-UHFFFAOYSA-N 368.177 3.649 0 40 FHAB CC(C)(C)OC(=O)N1CCC(n2c(=S)[nH]c3ccccc3c2=O)CC1 70460279 LMQJQZZZHJIOLX-UHFFFAOYSA-N 361.467 3.631 0 40 FHAB C[C@]1(C(=O)N[C@H]2CCSc3ccc(F)cc32)Cc2ccccc2C(=O)O1 70813396 FGFLNAYOHDWXLK-OXJNMPFZSA-N 371.433 3.651 0 40 FHAB CCN(C)C[C@@H]1CCN(c2nc3c(Cl)c(C)nn3c3ccccc23)C1 72302151 XXEDLHIRKOECIU-AWEZNQCLSA-N 357.889 3.622 0 40 FHAB C[C@H](C(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccncc2)C1)c1ccccc1 72334778 ZPZCHAADGSGCDF-QFBILLFUSA-N 360.461 3.981 0 40 FHAB Cc1cc(Nc2cccc(C3CCN(Cc4cnn(C)c4C)CC3)n2)no1 72376159 IRJJWZZKUZAYCG-UHFFFAOYSA-N 366.469 3.543 0 40 FHAB O=C(COc1ccc(Cl)cc1)Nc1cnc(Oc2ccccc2)nc1 75172114 OGUURHCKOBKKGL-UHFFFAOYSA-N 355.781 3.940 0 40 FHAB Cc1csc(N(C(=O)Cc2csc(-c3cccnc3)n2)C2CC2)n1 76019101 ZEBDVQBYGKUZOF-UHFFFAOYSA-N 356.476 3.708 0 40 FHAB Cc1noc(C)c1CC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 76176757 PEGHZJHONYXECY-UHFFFAOYSA-N 354.450 3.740 0 40 FHAB Cc1csc(C2(NC(=O)c3ccn(-c4cccc(F)c4)n3)CCCC2)n1 79033458 DSKUZHNPYPPZKX-UHFFFAOYSA-N 370.453 3.976 0 40 FHAB CC(=O)c1cc(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)n(C)c1 83815639 OYNWGXCNBMIXJX-INIZCTEOSA-N 362.376 3.637 0 40 FHAB CN(CC(F)(F)F)C(=O)CN1Cc2ccccc2[C@@H](c2ccccc2)C1 83858999 NHZVPYDLPFDHEI-GOSISDBHSA-N 362.395 3.655 0 40 FHAB Cn1cnnc1[C@@H]1CCCN(Cc2ncc(-c3cccc(Cl)c3)o2)C1 89761912 HOIHZVPHOGGZIG-CQSZACIVSA-N 357.845 3.503 0 40 FHAB CCCOc1ccc(NC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)cc1Cl 95458170 KGUKFIGRPPIEMX-RDTXWAMCSA-N 368.861 3.588 0 40 FHAB Cc1ccoc1C(=O)N1CCOC[C@@H]1c1csc(-c2ccccc2)n1 96217364 GAPOSQVAPMCGJG-MRXNPFEDSA-N 354.431 3.925 0 40 FHAB O=C(OC1CCCCC1)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 100623818 VWHFQKYNWMUPLL-LNMJFAINSA-N 367.445 3.712 0 40 FHAB N=c1c2c(ncn1CCO)Oc1c(ccc3ccccc13)[C@@H]2c1ccccc1 101173482 WXTYSEMPSQWCMK-IBGZPJMESA-N 369.424 3.794 0 40 FHAB CCc1nn2c(O)c(CCC(=O)O)c(C)nc2c1-c1ccc(Cl)cc1 102739603 UGTHRUYSNCBJLO-UHFFFAOYSA-N 359.813 3.643 0 40 FHAB CC1(C)CC2=Nc3nonc3N[C@@H](c3ccc4c(c3)OCCO4)C2=C(O)C1 102747981 AOYBQYDFWNXISI-INIZCTEOSA-N 368.393 3.712 0 40 FHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc2nc(N3CCOCC3)sc2c1 104657620 YADBJDNODHJIKU-SOUVJXGZSA-N 371.506 3.898 0 40 FHAB CC(C)C[C@H](NC(=O)c1ccccc1NS(C)(=O)=O)c1ccccc1 216243644 QBRCKIRPLUNOAG-SFHVURJKSA-N 360.479 3.575 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 222609465 UAILPZHFBYJFQV-LJQANCHMSA-N 374.506 3.690 0 40 FHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)[nH]1 223878428 UQGYSGTZRMDCBB-QZTJIDSGSA-N 350.447 3.601 0 40 FHAB Cc1ccc(-c2noc(CN(C)C(=O)Cc3ccccc3Cl)n2)cc1 225442763 RATAGANQQFHLPG-UHFFFAOYSA-N 355.825 3.900 0 40 FHAB CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 225496610 SQVBSMZROIEZDT-LBPRGKRZSA-N 353.871 3.951 0 40 FHAB O=C(NCc1cnn2c1CCCC2)c1ccc2noc(-c3ccccc3)c2c1 225611157 PEZZLDITWMABTG-UHFFFAOYSA-N 372.428 3.958 0 40 FHAB COC1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCCCCC1 225630570 BIJXPWJQNOMMEA-UHFFFAOYSA-N 360.498 3.839 0 40 FHAB CCOc1ccc(NC(=S)NCc2nc(-c3ccc(C)cc3)no2)cc1 225816097 XHJPBRJZWYHNPV-UHFFFAOYSA-N 368.462 3.930 0 40 FHAB Cc1ccc(NC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)nc1 225821490 RCTZVIJJQMAFEV-UHFFFAOYSA-N 359.842 3.580 0 40 FHAB O=C(CC1CCCC1)N1CCC2(CC1)OCC[C@@H]2CCOc1ccccn1 247875996 TVLYUWTWUXMRSD-IBGZPJMESA-N 372.509 3.829 0 40 FHAB CCN(CC)CC[C@H]1CN(C(=O)c2cc3ccccc3o2)Cc2cncn21 248232367 CEMXJOULJIBFDL-KRWDZBQOSA-N 366.465 3.558 0 40 FHAB CSc1ccccc1C(=O)NCC1CCN(C2CCSCC2)CC1 252536600 IYDFCIVCFUDWBB-UHFFFAOYSA-N 364.580 3.746 0 40 FHAB Fc1cccc(CN2CC[C@@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)c1 306131770 KPIDZIHNMRTPPN-HXUWFJFHSA-N 369.465 3.926 0 40 FHAB Cc1ccc([C@@H]2C[C@H](C)N(S(=O)(=O)Cc3noc4ccccc34)C2)cc1 330186579 SDJBBVMHUGQDSC-DOTOQJQBSA-N 370.474 3.844 0 40 FHAB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 408609366 ZUUMFQQGFNDRLK-OAHLLOKOSA-N 362.838 3.566 0 40 FHAB CS(=O)(=O)N(CCCC(=O)Nc1ccccc1Cl)c1ccccc1 408622078 ANGHAQNCXSDKBR-UHFFFAOYSA-N 366.870 3.525 0 40 FHAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(Br)cc3)C2=O)cc1 409249115 SGUATHUFXBAIKO-MHWRWJLKSA-N 371.234 3.850 0 40 FHAB CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccccc1O 409411333 GIGHIIIXXKRLDX-UHFFFAOYSA-N 368.462 3.710 0 40 FHAB COCCCC(=O)Nc1cc2c(cc1Sc1ccccc1)OCCO2 506225538 BXHGFYUKCMGVCV-UHFFFAOYSA-N 359.447 3.974 0 40 FHAB Cc1cc(C(=O)N2Cc3ccccc3C[C@H]2c2nnc(C)o2)c2n[nH]cc2c1 523162139 JFDFTUNZHRJQEG-SFHVURJKSA-N 373.416 3.503 0 40 FHAB C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2cncc(N3CCCC3=O)c2)C1 625872072 JOEXTODBWZVXJW-AUUYWEPGSA-N 367.424 3.571 0 40 FHAB C[C@H](Oc1ccc(NC(=O)C2(c3cccnc3)CCCC2)cc1F)C(=O)O 630260102 HCZYTEJWBHEIGE-ZDUSSCGKSA-N 372.396 3.523 0 40 FHAB Cc1noc2ncnc(N3CCC[C@H]3c3nc4ccc(Cl)cc4[nH]3)c12 669654200 GWZOOUJENDGBMK-ZDUSSCGKSA-N 354.801 3.797 0 40 FHAB C[C@@H]1C[C@H](C(=O)Nc2nc3ccccc3n2-c2ccccc2F)CCO1 678949082 BTKDHLLYVWGXPO-ZIAGYGMSSA-N 353.397 3.918 0 40 FHAB O=C(c1cccc(F)c1)N1CCC2(CC1)CCN(c1ccsc1)C2=O 1565551850 LANCLESDRZOREZ-UHFFFAOYSA-N 358.438 3.547 0 40 FHAB COc1cccc(C(=O)N2N=C(C(F)(F)F)C[C@@]2(O)C2CCCCC2)c1 857375 MJABNKDAIWYTLS-QGZVFWFLSA-N 370.371 3.728 0 40 FHAB COC(=O)c1c(N)sc(C(=O)Nc2cccc(C(F)(F)F)c2)c1C 868894 GBJJEJSCRKJPPW-UHFFFAOYSA-N 358.341 3.696 0 40 FHAB CNC(=S)N(Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 878738 VWVJTJWYOXNUKS-UHFFFAOYSA-N 365.502 3.651 0 40 FHAB O=C1NC(=O)/C(=C\c2ccc(-c3ccc(Br)c(Cl)c3)o2)N1 1053476 JETUHLPEYPCRSX-IZZDOVSWSA-N 367.586 3.543 0 40 FHAB O=C(Cc1ncc(C(F)(F)F)cc1Cl)Nc1cccnc1Cl 1394716 LBNQGDLNXDUEGY-UHFFFAOYSA-N 350.127 3.983 0 40 FHAB COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cccc2ccccc12 2701488 BURUJRCRZDISPL-SFHVURJKSA-N 366.442 3.663 0 40 FHAB CCCSc1cc(=O)n(-c2ccc(Cl)cc2)nc1C(=O)OCC 3134482 XEBRCJMKTBWLFC-UHFFFAOYSA-N 352.843 3.565 0 40 FHAB CN(C)C(=O)COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 3331801 DCGXOGYIIRITJK-UHFFFAOYSA-N 368.820 3.800 0 40 FHAB COc1ccc(C)cc1-n1nnnc1S[C@@H](C)C(=O)c1ccc(C)cc1 3491565 GRVWJILHCIXPHD-AWEZNQCLSA-N 368.462 3.651 0 40 FHAB C[C@H](CCc1cn(C)c2ccccc12)NS(=O)(=O)c1ccc(F)cc1 3765556 RDHIKQYSDVTULB-CQSZACIVSA-N 360.454 3.617 0 40 FHAB O=C(CCn1c(=O)sc2ccccc21)Nc1nc2ccccc2s1 4121596 ZZERUTDBDUESBW-UHFFFAOYSA-N 355.444 3.702 0 40 FHAB CCCCOC(=O)CC[C@@H](CC(=O)OCCCC)C(=O)OCCCC 4428318 BTGZLRVENLYOBI-INIZCTEOSA-N 358.475 3.803 0 40 FHAB COc1ccc(-c2nnc3sc(CCc4ccccc4)nn23)cc1OC 4511716 ISVJTPIKHDWCCJ-UHFFFAOYSA-N 366.446 3.655 0 40 FHAB CC(=O)Nc1ccc2nc(NC(=O)c3cccc(OC(C)C)c3)oc2c1 4703994 CHFSABPOJXDMAQ-UHFFFAOYSA-N 353.378 3.826 0 40 FHAB c1ccc2c(Cn3nnc4c(N5CCCCCC5)ncnc43)cccc2c1 4717520 MWSHHKTZEHFEDJ-UHFFFAOYSA-N 358.449 3.803 0 40 FHAB COc1cc2cc3c(N)c(C(=O)NC4CCCC4)sc3nc2cc1OC 4848863 GWPPDWGWQFKXLP-UHFFFAOYSA-N 371.462 3.721 0 40 FHAB COc1cccc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 4886092 OCRUJRRLNYMPPK-IHWFROFDSA-N 350.462 3.621 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1 5109715 LRCPSNXSMPZMEF-UHFFFAOYSA-N 359.234 3.579 0 40 FHAB Cc1cccc2sc(NC(=O)N[C@@H]3CC(=O)N(c4ccccc4)C3)nc12 5123224 KXKDKIPMVFKIHR-CYBMUJFWSA-N 366.446 3.532 0 40 FHAB CC(C)c1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 5194865 VEMGVDWBZIKANJ-QGZVFWFLSA-N 355.413 3.876 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2nnc(-c3cccc(SC)c3)o2)c1 5240252 ROPGAIXXTIKKCN-UHFFFAOYSA-N 371.418 3.728 0 40 FHAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccc(Br)cc1F 5687556 BZMPUPUSNBGKKC-NSHDSACASA-N 363.230 3.978 0 40 FHAB CCc1cc2c(CSc3nnc(SC)s3)cc(=O)oc2cc1O 5872456 IUZOJBMHNZWMKY-UHFFFAOYSA-N 366.489 3.927 0 40 FHAB CCN(C[C@@H](O)c1cccc(O)c1)C(=O)Nc1cccc(C(F)(F)F)c1 6462932 SNFKTSHZHHHBJP-MRXNPFEDSA-N 368.355 3.998 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)N1CCC[C@@H]1c1cccs1 6654201 KXQCBPYPLBUMRJ-OAHLLOKOSA-N 359.447 3.702 0 40 FHAB CCCN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)cc2)c2cc(C)ccc21 6670070 OHASRWZTRLXFEM-HXUWFJFHSA-N 357.837 3.866 0 40 FHAB CCOc1ccc(NC(=O)Nc2nnc(N3CCCC[C@@H]3C)s2)cc1 6791956 FOCOQKVGSUBKHU-LBPRGKRZSA-N 361.471 3.960 0 40 FHAB Cn1c(C(=O)N2CCN(c3ccccc3F)CC2)cc2cc(Cl)ccc21 6969598 DHNMQNQQIFBTTA-UHFFFAOYSA-N 371.843 3.933 0 40 FHAB O=C(O)/C(=C/c1ccncc1)Sc1nnc(-c2ccc(Cl)cc2)[nH]1 7365584 JJOUOJAAMUMULV-LCYFTJDESA-N 358.810 3.738 0 40 FHAB COc1ccc(NC(=O)COc2ccc(Cl)c3cccnc23)c(OC)c1 7612222 BTGQYVZETNREPA-UHFFFAOYSA-N 372.808 3.923 0 40 FHAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCCCCC3)c2)c1 8181527 PZZVYPIXCMLRAY-UHFFFAOYSA-N 372.490 3.812 0 40 FHAB O=C(CN(Cc1ccco1)C(=O)c1ccc(F)cc1)Nc1ccccc1 8936226 RAQYXVJNDMLNNC-UHFFFAOYSA-N 352.365 3.700 0 40 FHAB O=C(O)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 9063454 BDLFOLPJPLJPNN-UHFFFAOYSA-N 372.852 3.889 0 40 FHAB CCCCOc1ccc(NC(=O)C(=O)NC[C@@H](C)c2ccccc2)cc1 9232689 ZMVHDEMTPLAXAX-MRXNPFEDSA-N 354.450 3.724 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)NCCSCc1cccc(C)c1 9427016 FAJVRKVSOTXNIT-INIZCTEOSA-N 359.491 3.821 0 40 FHAB O=C(Cc1csc(-c2ccc(F)cc2)n1)NCc1ccc2c(c1)OCO2 9645073 DDEMOTZCYPRRET-UHFFFAOYSA-N 370.405 3.537 0 40 FHAB Cc1ccc2[nH]c(SCC(=O)NCCCOCc3ccccc3)nc2c1 10789459 KIHJUUYVRLVENW-UHFFFAOYSA-N 369.490 3.687 0 40 FHAB CC(=O)Nc1cc2ccccc2cc1C(=O)N(C)CCOc1ccccc1 11238739 VFYQSXIUWSQBFR-UHFFFAOYSA-N 362.429 3.949 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)c2ccc3[nH]cnc3c2)c(OC)c1 11549038 RWNRBNGCOTXODA-GOSISDBHSA-N 351.406 3.557 0 40 FHAB Cc1c(-c2ccccc2)n[nH]c1C(=O)NC(C)(C)CN1CCC[C@H](C)C1 12143800 WGJISNWLJJQROS-HNNXBMFYSA-N 354.498 3.625 0 40 FHAB FC(F)(F)c1cccc(N2CN(CCc3ccccc3)CNC2=S)c1 12376293 XINSLWKKOFVTPJ-UHFFFAOYSA-N 365.424 3.860 0 40 FHAB COCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC(F)(F)F)cc1 12644921 GWTVNGGIDOADJB-INIZCTEOSA-N 366.339 3.798 0 40 FHAB Cc1c(NC(=O)/C=C/c2cccc(Cl)c2Cl)cccc1-n1cnnn1 12856871 ZZQWPJVDWAVMJA-CMDGGOBGSA-N 374.231 3.929 0 40 FHAB O=C(CCCNC(=O)c1cccs1)Nc1ccc(C(F)(F)F)cc1 12905860 FEGGXLOLFSGQAD-UHFFFAOYSA-N 356.369 3.916 0 40 FHAB Cc1ccc(/C=C/C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1Cl 12979876 SGTGXMPSLCSHHV-MDZDMXLPSA-N 367.836 3.557 0 40 FHAB CSc1ccc(/C=C/C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 13141800 RFOVJLYMJCWNFS-JLCBHFFPSA-N 361.507 3.906 0 40 FHAB CCc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@H](c1ccco1)C3 13610874 DZHIESSKPVOTDW-CQSZACIVSA-N 358.401 3.859 0 40 FHAB COc1ccc([C@@H]2CCCCCN2Cc2nnnn2-c2ccccc2)cc1 14019726 CWCFFVJGNSJUNM-FQEVSTJZSA-N 363.465 3.788 0 40 FHAB Cc1cc(C)cc(OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 14157955 IJGMCVYIXCUPAK-UHFFFAOYSA-N 366.461 3.560 0 40 FHAB CC(=O)c1ccccc1OCCOC(=O)c1sccc1-n1cccc1 14173237 WYGHCKIYSCEEBS-UHFFFAOYSA-N 355.415 3.977 0 40 FHAB COc1ccc(NC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)cc1Cl 14240703 VMMUTLVSEHYUEP-LJQANCHMSA-N 374.868 3.671 0 40 FHAB CCCCCc1ccc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1 14246443 KTTRWJDMBZKFMY-UHFFFAOYSA-N 368.433 3.517 0 40 FHAB O=C(NCCc1ccc(OC(F)F)cc1)c1ccc(Cn2cccn2)cc1 14525867 SBYKXDOPPPLAJB-UHFFFAOYSA-N 371.387 3.505 0 40 FHAB COc1ccc(C(=O)OCc2nc3ccccc3n2C(F)F)cc1OC 14902216 UTXZTYOANSEMTI-UHFFFAOYSA-N 362.332 3.806 0 40 FHAB COc1ccc2nc(N3CCN(C(=O)C4CCCCC4)CC3)sc2c1 15391664 MRWMNWMXGUBTQW-UHFFFAOYSA-N 359.495 3.534 0 40 FHAB Cc1ccc(OCc2nc(CC(=O)NCc3ccccc3)cs2)cc1 18184319 VRPQIIZBQKZIEG-UHFFFAOYSA-N 352.459 3.889 0 40 FHAB CCOc1ccc(NC(=O)[C@H]([C@@H](C)N2CCCCC2)N2CCCCC2)cc1 19366267 JFEFUMYXQVSUMX-NQIIRXRSSA-N 373.541 3.753 0 40 FHAB COc1ccc(S(=O)(=O)Oc2ccccc2C(C)C)cc1NC(C)=O 19683377 OBZACTVUVCOLQJ-UHFFFAOYSA-N 363.435 3.545 0 40 FHAB COc1cccc(NC(=O)[C@@H](C)OC(=O)c2sccc2-n2cccc2)c1 22888023 JSCOLNALXQGONN-CYBMUJFWSA-N 370.430 3.731 0 40 FHAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1ccc2c3c(cccc13)CC2 22900847 IJLUXABZZCZPPH-UHFFFAOYSA-N 374.440 3.566 0 40 FHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1ccc2c(c1)CCCC2 24330215 GUGICWPWKLPFOM-QGZVFWFLSA-N 374.488 3.908 0 40 FHAB C/C=C/c1ccc(OC[C@@H](O)CN(C)Cc2sccc2C)c(OC)c1 32721088 DHSBVPREELRXGV-RTRPANQVSA-N 361.507 3.970 0 40 FHAB COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 32817147 SWJMDBXVLICWKG-UHFFFAOYSA-N 373.474 3.593 0 40 FHAB COC(=O)C[C@H](NC(=O)c1cccc2c1O[C@H](C)[C@@H]2C)c1ccc(C)cc1 32821123 YYWSKOQFZSSXIP-KHYOSLBOSA-N 367.445 3.914 0 40 FHAB O=C(NCC1(c2ccccc2)CC1)C1CCN(c2ccc(Cl)cn2)CC1 33230900 NYCUDUPSCUAGQH-UHFFFAOYSA-N 369.896 3.799 0 40 FHAB CC[C@@H]1CCc2sc(C(=O)N[C@H](C)[C@H](O)c3ccc(O)cc3)cc2C1 34870808 ARVXQCKBKCDVMP-VPZZIHKRSA-N 359.491 3.821 0 40 FHAB Cc1ccc(C(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)cc1C 36394710 ZPQLBFLYTXPZHD-UHFFFAOYSA-N 364.489 3.657 0 40 FHAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2CC(=O)c3ccccc32)CC1 38671293 SOLDKJCHWBAYAU-SFHVURJKSA-N 368.864 3.667 0 40 FHAB C[C@H](CNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)N1CCc2sccc2C1 44491715 IKJLNWBFGAVJHZ-IPYPFGDCSA-N 374.472 3.980 0 40 FHAB C[C@@H](OCc1ccccc1)C(=O)NCc1cccnc1OC1CCCC1 46717397 HWDRUXKLSWIRGK-MRXNPFEDSA-N 354.450 3.625 0 40 FHAB COC(=O)c1ccc(CN(C)[C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1 48149678 WXQJJZRGCXDTDS-INIZCTEOSA-N 354.450 3.549 0 40 FHAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)CCCn1cncn1 48374840 BXXSBQVAIMNUNC-QGZVFWFLSA-N 363.465 3.614 0 40 FHAB O=C(NC1CCCC1)c1ccc(Oc2nccnc2N2CCCCC2)cc1 49005978 GJLHOUZHUYNFOV-UHFFFAOYSA-N 366.465 3.932 0 40 FHAB CCN(C(=O)CCn1cnc2ccccc2c1=O)c1ccc2ccccc2c1 50380602 FITALOGSIUKNMW-UHFFFAOYSA-N 371.440 3.993 0 40 FHAB CN(C)[C@@H](CNC(=O)Nc1cccnc1Oc1ccccc1)c1ccco1 58014503 SANGQHVSZCYNLX-KRWDZBQOSA-N 366.421 3.891 0 40 FHAB CC(C)[C@H](NC(=O)Nc1ccc(OCC(=O)N(C)C)cc1)c1ccccc1 58145083 QQVOHSFJUIZNJC-FQEVSTJZSA-N 369.465 3.672 0 40 FHAB C[C@H]1CN(c2ccc(NC(=O)CCC(=O)c3cccs3)cc2)C[C@H](C)O1 58195122 JEYWIYAAFHMLOA-GJZGRUSLSA-N 372.490 3.963 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1cccc(-c2nccs2)c1 58202788 YLYMOVLSHMHQFB-MRXNPFEDSA-N 369.446 3.796 0 40 FHAB CN(C[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)C(=O)OC(C)(C)C 58210695 HXLZCHJBNBFTSI-AWEZNQCLSA-N 350.434 3.545 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(NC(=O)CCn2ccnc2)c1 58229889 HBRJXDZJNUMUQS-MRXNPFEDSA-N 374.444 3.503 0 40 FHAB CC[C@H](C)NC(=O)[C@H]1C[C@H](C)N(Cc2noc(C3CC3)n2)c2ccccc21 58244134 KKJLRMVPKCBHEB-ZQIUZPCESA-N 368.481 3.744 0 40 FHAB COc1cccc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[nH]c2=S)c1 58365503 YOKXKSNNGJSAOF-SNVBAGLBSA-N 360.464 3.877 0 40 FHAB CC(C)(C)OC(=O)NC[C@H]1CCCCN1Cc1ncc(C(C)(C)C)o1 60269222 YNKALABSQCPVTN-CQSZACIVSA-N 351.491 3.851 0 40 FHAB COc1ccc(CN(C)C(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 61113975 PEQNSUORUDKYTR-UHFFFAOYSA-N 363.461 3.829 0 40 FHAB COc1ccc(-c2cc(CC3(NCC4CCCCC4)COC3)no2)cc1 67898343 OWDKOILFUSUUDD-UHFFFAOYSA-N 356.466 3.832 0 40 FHAB biogenic,in-vitro CN(C(=O)c1ccc(-c2ccccc2Cl)o1)C1CCS(=O)CC1 72297890 TYSRYHWQZVEZDK-UHFFFAOYSA-N 351.855 3.583 0 40 FHAB CC(C)n1nc(CC(=O)Nc2ccc3[nH]ccc3c2)c2ccccc2c1=O 72324709 KCJQFRAQWROCOK-UHFFFAOYSA-N 360.417 3.640 0 40 FHAB biogenic O=C(Cc1ccccn1)N1CCC[C@H]1c1cccc(Cc2ccccc2)n1 72357932 CRRIMMLPTXHHGS-QFIPXVFZSA-N 357.457 3.974 0 40 FHAB O=C(c1ccccn1)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1 72362243 LDVANWMVRJZBRG-INIZCTEOSA-N 360.417 3.684 0 40 FHAB c1ccc(CCN2CCCC[C@@H]2c2ccnc(Nc3ncccn3)n2)cc1 72377567 WHHJWVKXOVKZHJ-LJQANCHMSA-N 360.465 3.780 0 40 FHAB C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1ccc(=O)[nH]c1)C1CC1 74482484 RNVYHMWADNXMSC-LLVKDONJSA-N 350.340 3.760 0 40 FHAB COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1N 83291120 HALPWNIUJMVGGY-UHFFFAOYSA-N 362.792 3.773 0 40 FHAB CCO[C@@H]1C[C@@H](NC(=O)Nc2nc(-c3ccccc3)ns2)C12CCC2 84800806 LNJXKXNAZJNBAN-ZIAGYGMSSA-N 358.467 3.674 0 40 FHAB Cc1c(C(=O)N[C@@H]2CCCCC[C@@H]2CO)cnn1-c1ccccc1Cl 89545007 NGPSJEDNLKXWLH-RHSMWYFYSA-N 361.873 3.505 0 40 FHAB O=C(CCNC(=O)c1cc(C2CC2)nc2ccccc12)NC1CCCCC1 89866657 LSUZAXSEDFNBCR-UHFFFAOYSA-N 365.477 3.681 0 40 FHAB C[C@@H](NC(=O)c1ccc2c(n1)CCCC2)c1nc(-c2cccnc2)cs1 89913595 XHOULVKJJPEIAS-CYBMUJFWSA-N 364.474 3.970 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)NCc1nn(C2CCCC2)c2c1CCCC2 96103949 DRMDUDHDCSWNNX-MRXNPFEDSA-N 367.493 3.961 0 40 FHAB COc1ccc(C[C@H]2CN(C(=O)c3ccccc3F)CC[C@@H]2OC)cc1 96110569 AGMGNZPZGQHYIZ-JXFKEZNVSA-N 357.425 3.554 0 40 FHAB O=C(NCCCCCc1nc2ccccc2[nH]1)c1cc(=O)[nH]c2ccccc12 96116584 IHMPWHQHTNZDCB-UHFFFAOYSA-N 374.444 3.547 0 40 FHAB O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1ccno1 96358070 ONCPJOGGGSDUAI-UHFFFAOYSA-N 352.375 3.629 0 40 FHAB O=C(Nc1ccc(Oc2cnccn2)cc1)C(=O)c1ccc2c(c1)CCC2 96999404 SBIXLCWMNSQILS-UHFFFAOYSA-N 359.385 3.579 0 40 FHAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc2c(n1)[C@]1(C)CC[C@@H]2C1(C)C 100265428 BHHDRZXOUBBXFT-FTIRYDQDSA-N 374.554 3.928 0 40 FHAB CCOc1ccc(NC(=S)NC2C[C@@H]3CCC[C@@H](C2)N3C2CC2)cc1 100424020 IRSUDVIWFFIYRK-ROUUACIJSA-N 359.539 3.920 0 40 FHAB CC1(C)Cc2cc(CNCc3cccc(N4CCCC4=O)c3)ccc2O1 105418844 CUDLIPKJVFRDJU-UHFFFAOYSA-N 350.462 3.817 0 40 FHAB CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(Br)cs1 222724204 WYZVUQNOGLNBEI-NWDGAFQWSA-N 354.298 3.508 0 40 FHAB COc1ccc2c(c1)[C@@H](NC(=O)COc1cccc(C)c1)CC(C)(C)O2 222756569 LUUSIXZMNRRFHT-SFHVURJKSA-N 355.434 3.801 0 40 FHAB COc1ccc(CCC(=O)N[C@H](C)COc2ccccc2OC)cc1C 222846920 UVCZQMRAGHNFOU-MRXNPFEDSA-N 357.450 3.529 0 40 FHAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(N3CCOCC3)cc2)cc1C 223440817 MUNDELCJPMJSRP-GOSISDBHSA-N 352.478 3.939 0 40 FHAB COc1cc(C)c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c(C)c1 224409930 PAMWSALZUWLTPC-UHFFFAOYSA-N 373.518 3.955 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl 224666316 RTIVKRZDKSJNLZ-INIZCTEOSA-N 372.896 3.826 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1cc(OC)ccc1OC 224929021 WCQLFPIGNQJMLP-FZKQIMNGSA-N 361.413 3.878 0 40 FHAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(F)c1)c1ccc(OC)c(C)c1 224961639 SPJQKZGCQYRLQW-MRXNPFEDSA-N 367.442 3.581 0 40 FHAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225052495 ZFCMNQMEZQVXDH-LBPRGKRZSA-N 356.447 3.568 0 40 FHAB O=C(Nc1ccc2c(c1)C(=O)NCc1cccn1-2)c1cc2ccccc2o1 225380208 MXRBOWDFKQAKJI-UHFFFAOYSA-N 357.369 3.719 0 40 FHAB Cc1ccccc1-c1nc2sc(=Cc3ccc(C(C)C)cc3)c(=O)n2n1 254894514 IBNWIUOTFAPNSL-UHFFFAOYSA-N 361.470 3.798 0 40 FHAB CC(=O)Nc1cc(CCC2CCN(C(=O)C3CCCCC3)CC2)ccn1 257288340 PTVGELXOSZECRW-UHFFFAOYSA-N 357.498 3.792 0 40 FHAB CC1(C)O[C@@H]2C[C@@]3(C)C(=O)CC[C@H]3[C@H]3CC[C@H]4C[C@@H](O)C[C@@H](O1)[C@@]4(C)[C@@H]23 257350578 YOMKZERBLMKYST-NHZBLUIISA-N 362.510 3.699 0 40 FHAB Cc1c(NC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)noc1-c1ccccc1F 279025258 WDSABFGTYXNHET-CYBMUJFWSA-N 369.400 3.924 0 40 FHAB CC(C)COc1ccc(NC(=O)C(=O)NCc2ccccc2Cl)cc1 408708893 MWFNKBGHQRHKMO-UHFFFAOYSA-N 360.841 3.630 0 40 FHAB O=C(CSCc1ccccc1)NCc1nccnc1-c1cccs1 575620857 RCMIMTYHSBSKRT-UHFFFAOYSA-N 355.488 3.755 0 40 FHAB CC(C)(C)C[C@@H](O)Cc1nc(-c2ccc(OCCN3CCCC3)cc2)no1 585084163 BGHVFYUSXNBOHY-KRWDZBQOSA-N 373.497 3.551 0 40 FHAB CC1(C)Cc2n[nH]cc2CN(C(=O)Nc2cc(F)ccc2OCC2CC2)C1 585098051 IPUPRCVRBPAOJY-UHFFFAOYSA-N 372.444 3.954 0 40 FHAB C[C@@H](c1ccc(F)cc1)N1CC[C@H](Nc2cc3oc(O)nc3cc2F)C1=O 656661032 QRSDHEJAGQLNLN-HZMBPMFUSA-N 373.359 3.586 0 40 FHAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@H](C(=O)O)c2ccccc21 669436135 AUWFRASGABZAAI-ZDUSSCGKSA-N 364.323 3.628 0 40 FHAB COc1cc(CN(C)C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)sn1 1124059437 RDAWWBMTWYLMFN-UHFFFAOYSA-N 370.396 3.861 0 40 FHAB Fc1cnc(OC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)nc1 1203807041 WUHPZCPDPGGCHW-UHFFFAOYSA-N 356.228 3.966 0 40 FHAB Cc1ccc2c(c1)[C@@]1(CCN(C(=O)c3ccnc(C(F)(F)F)c3)C1)CO2 2055785130 KEDHSAYUCAHAQL-GOSISDBHSA-N 362.351 3.585 0 40 FHAB Fc1cccc(-n2ncc(-c3nnnn3-c3ccccc3)c2C(F)(F)F)c1 721382 LRSGPJGYOQEDCD-UHFFFAOYSA-N 374.301 3.673 0 40 FHAB O=C1NC(=O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)N1 1005899 CCWPPDMBRSUFLA-CXUHLZMHSA-N 351.793 3.523 0 40 FHAB Cc1cccn2c(=O)c(C=O)c(Nc3ccc(SC(F)F)cc3)nc12 1061931 ZJQYDOOUQIRIOO-UHFFFAOYSA-N 361.373 3.874 0 40 FHAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1nnc(C)s1 1340017 KPFJALJKGKOZQK-UHFFFAOYSA-N 358.492 3.996 0 40 FHAB Cc1cc(C)nc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)n1 2380860 KCPHGKWWLSFSLU-UHFFFAOYSA-N 366.657 3.854 0 40 FHAB CCOc1cccc2cc(-c3nnc(NCc4ccco4)s3)c(=O)oc12 2956133 VMFUKLIOWOJGFF-UHFFFAOYSA-N 369.402 3.915 0 40 FHAB O=S(=O)(Nc1ncc2c(n1)-c1ccccc1CC2)c1ccc(Cl)cc1 3132969 WAXMASWQJBTMFC-UHFFFAOYSA-N 371.849 3.696 0 40 FHAB Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1C 3325439 URURJGLPYBTCAQ-UHFFFAOYSA-N 351.855 3.759 0 40 FHAB O=C(c1ccc2ncsc2c1)N1CCN(c2ccccc2Cl)CC1 3454298 OAPGZXPLUBJJAT-UHFFFAOYSA-N 357.866 3.912 0 40 FHAB Cc1cc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)c2ccccc2n1 3591117 WPGKYOCKNBMGBV-HNNXBMFYSA-N 360.413 3.678 0 40 FHAB CCOC(=O)c1c(NC(=O)c2ccc(N(C)C)cc2)sc2c1CCC2 4116367 ZZLVBWFOFFSYAI-UHFFFAOYSA-N 358.463 3.732 0 40 FHAB COc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)CC(C)C)cc1 4739984 JGLZAGGMZRVTFO-UHFFFAOYSA-N 365.437 3.647 0 40 FHAB Cn1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc2sccc21 4859376 IVQZFSBCBZNWTF-UHFFFAOYSA-N 359.882 3.856 0 40 FHAB O[C@@]1(C(F)(F)F)[C@H]2CCCCC2=NN1c1nc(-c2ccncc2)cs1 4916077 ZKEVILHGHHTJSI-XHDPSFHLSA-N 368.384 3.822 0 40 FHAB COc1cc([C@H]2CC(c3ccc(C)cc3)=NN2C(C)=O)cc(OC)c1OC 4942469 JGSSVHZGIZIRPX-GOSISDBHSA-N 368.433 3.718 0 40 FHAB O=C(CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NC1CC1 5043476 KNSLSZCOFWSCLC-UHFFFAOYSA-N 371.384 3.906 0 40 FHAB Cc1ccc(C(=O)N2N=C(c3ccc(F)cc3)C[C@]2(O)C(F)(F)F)cc1 5101094 QTOAKCILRVXINH-KRWDZBQOSA-N 366.314 3.635 0 40 FHAB CCN(CC)c1ccc(N[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 5236030 VGKZSVLZPMJYLZ-LJQANCHMSA-N 356.422 3.831 0 40 FHAB CC(C)CN(CC(C)C)c1ccc2c3c(cccc13)C(=O)N(CCO)C2=O 5250013 CDIOMYSWQVUGCB-UHFFFAOYSA-N 368.477 3.547 0 40 FHAB C[C@H](NC(=O)COC(=O)Cc1cccs1)C12CC3CC(CC(C3)C1)C2 5786464 VPRMEBZJFJMKJO-IVKJLDKCSA-N 361.507 3.555 0 40 FHAB CCOc1cccc(C(=O)NC(=S)Nc2ccc(NC(=O)CC)cc2)c1 6240562 NNISQPWEUZSGFZ-UHFFFAOYSA-N 371.462 3.561 0 40 FHAB C[C@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1 6401549 NPYIFYZQDZPYJD-INIZCTEOSA-N 351.450 3.808 0 40 FHAB COc1cc(C)c(NC(=O)COc2cccc3c2OC(C)(C)C3)cc1OC 6510245 BOAYHOBGFNAXPT-UHFFFAOYSA-N 371.433 3.743 0 40 FHAB C[C@H](Sc1nnnn1-c1cccc(F)c1)C(=O)c1c[nH]c2ccccc12 6589862 IIYZDPCDCITWGX-NSHDSACASA-N 367.409 3.646 0 40 FHAB Cc1ccc(C)c(-c2csc(NC(=O)CSc3ncccn3)n2)c1 6911911 FRGXVZMGHMMUNR-UHFFFAOYSA-N 356.476 3.948 0 40 FHAB COCCn1c(SCC(C)C)nc2sc3c(c2c1=O)CCCC3 7007836 KTIASBWDGXLSDJ-UHFFFAOYSA-N 352.525 3.731 0 40 FHAB C[C@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)c1ccccc1Cl 7134749 OEOOEQRSLWTJSB-NSHDSACASA-N 356.900 3.839 0 40 FHAB CCOc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 7310660 NRRRAOZFFNLMCV-UHFFFAOYSA-N 370.424 3.715 0 40 FHAB CCCn1c(S[C@@H](C(=O)c2ccccc2)c2ccccc2)n[nH]c1=O 7513423 ZRHBVKQPASBYPU-QGZVFWFLSA-N 353.447 3.698 0 40 FHAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1cccc(Cl)c1 7597600 GSBJKBAPAPITJM-SNVBAGLBSA-N 373.808 3.827 0 40 FHAB CCN(CC(=O)NCc1cccs1)Cc1ccc(Br)cc1 7682083 AVBUWCFZAAEQDS-UHFFFAOYSA-N 367.312 3.649 0 40 FHAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 7708710 JREVJWRQSCZXTH-UHFFFAOYSA-N 364.854 3.576 0 40 FHAB CC[C@H](C)[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1 7843193 GRMGTYBTOHQXON-KXBFYZLASA-N 374.506 3.705 0 40 FHAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1cccc(Br)c1 7914340 NFQRDWNDARNEMF-UHFFFAOYSA-N 373.250 3.757 0 40 FHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)NC2CCC(C)CC2)CC1=O 7928236 QFOKZCFJNXHJPW-OBONGRFPSA-N 356.510 3.859 0 40 FHAB C[C@H]1Oc2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2NC1=O 8014769 LWEQMNKUOXNPFD-SECBINFHSA-N 366.295 3.557 0 40 FHAB Cc1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c(C)cc1Cl 8130444 UHUNXZBXCCVDLJ-UHFFFAOYSA-N 358.935 3.544 0 40 FHAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc2ccccc2s1 8735558 DNKZGUZZEFTOGC-GFCCVEGCSA-N 355.419 3.550 0 40 FHAB O=C(O)CCC(=O)/N=c1/[nH]c(-c2ccccc2)c(-c2ccccc2)s1 8742661 RDWXCYHUOMGOBL-UHFFFAOYSA-N 352.415 3.702 0 40 FHAB CC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1nnnn1-c1cccc(C)c1C 11623343 MEIOJCBGKRLIDW-CVEARBPZSA-N 373.526 3.551 0 40 FHAB COc1ccc(C)cc1S(=O)(=O)N1CCCCC[C@@H]1c1cc(C)no1 12159418 JTESSFAFBYQKKK-OAHLLOKOSA-N 364.467 3.606 0 40 FHAB Cc1[nH]c2c(C(=O)N[C@@H](C)c3nc(-c4cccnc4)no3)cccc2c1C 12202435 UUMXLIMITIXELL-ZDUSSCGKSA-N 361.405 3.721 0 40 FHAB CC1(C)Cc2nc(-c3cnccn3)ncc2[C@H](NC(=O)CC2CCCC2)C1 12238887 PFKWBZGNSQHPPN-MRXNPFEDSA-N 365.481 3.644 0 40 FHAB O=C(N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)C1CC1 12365826 BESPTAZEFHQBGC-SJLPKXTDSA-N 373.497 3.762 0 40 FHAB CSc1nn(CN2CCN(c3cccc(C)c3C)CC2)c(=S)s1 12534409 BHHWUUZUFICGFH-UHFFFAOYSA-N 366.581 3.793 0 40 FHAB CCc1ccc(Cl)c(CC)c1NC(=O)CNc1ccccc1C(N)=O 12737132 ICRWWBPFNPTKNY-UHFFFAOYSA-N 359.857 3.614 0 40 FHAB CCOc1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1 12906920 SWJXABGGJYKJNH-MRXNPFEDSA-N 358.463 3.780 0 40 FHAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NC2CC2)o1 12927384 UJAWVZDGIXQDBT-GGSKKDJASA-N 350.418 3.947 0 40 FHAB CCC[C@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccccc1 12927956 BVJOBEKXPLPYAP-SFHVURJKSA-N 361.445 3.614 0 40 FHAB Cc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C(N)=O)c2ccccc2)cc1 12935849 WAABGMPHDBPDDC-NRFANRHFSA-N 373.408 3.609 0 40 FHAB CC(=O)CCc1ccc(OC[C@H](O)CN2CCC[C@@H]3CCCC[C@@H]32)cc1 14238174 QEPLIBYYEBCJRH-VWPQPMDRSA-N 359.510 3.603 0 40 FHAB CCCn1nc(C(=O)N2CCC[C@H]3CCCC[C@H]32)c2ccccc2c1=O 14245431 FWYOHQOWWGHGRM-CRAIPNDOSA-N 353.466 3.601 0 40 FHAB CCc1nnc(-c2cc3ccccc3n2CC(=O)NCc2ccccc2)o1 15881404 JKFAKUPZRYRURH-UHFFFAOYSA-N 360.417 3.570 0 40 FHAB C[C@H](Nc1ccc2c(c1)OCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1 16695295 RXJOTPYMHBJUEV-JTQLQIEISA-N 368.311 3.753 0 40 FHAB O=C(/C=C\c1ccc2c(c1)OCO2)Nc1nnc(-c2ccc(F)cc2)s1 17169429 LVIHLTYMZVMVPI-WAPJZHGLSA-N 369.377 3.725 0 40 FHAB Cc1cccc(C(=O)N2CCC(c3nnc(-c4ccc(C)nc4)o3)CC2)c1 19234399 KWFBPPYCZQCPHQ-UHFFFAOYSA-N 362.433 3.768 0 40 FHAB Cc1ccc([C@@]2(O)CCN(Cc3c(-c4ccccc4)nn(C)c3C)C2)cc1 19715877 XPZGPHHWFOAFDS-HSZRJFAPSA-N 361.489 3.797 0 40 FHAB CCn1cc(C(=O)Nc2cccc(C)c2C)c(=O)c2cc(OC)ccc21 22235716 FVXOHQHPKPNBGR-UHFFFAOYSA-N 350.418 3.899 0 40 FHAB CCc1ccc(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1 22383427 GMQRCSCPSDONEC-UHFFFAOYSA-N 374.506 3.777 0 40 FHAB CCN(Cc1ccccc1)C(=O)[C@H](C)n1nnc(-c2ccc(Cl)cc2)n1 23942222 XVJSLTLSJPPYJX-AWEZNQCLSA-N 369.856 3.603 0 40 FHAB C[C@@H](Sc1ccc2c(c1)OCCO2)C(=O)N(C)Cc1cccc(F)c1 24726699 ASMPYJAYWNPJGT-CYBMUJFWSA-N 361.438 3.736 0 40 FHAB O=c1[nH]c(CN2CCC[C@H]2Cc2ccccc2)nc2sc3c(c12)CCC3 25440145 UTIZTGYTLNHIPN-HNNXBMFYSA-N 365.502 3.680 0 40 FHAB CC(=O)Nc1cccc(-n2c(S[C@H]3CCCCC3=O)nnc2C2CC2)c1 26132123 LDDBMZCXNQRPLY-KRWDZBQOSA-N 370.478 3.707 0 40 FHAB Cc1cccc(NC(=O)CCn2nc(C)c(Br)c2C)c1C 28238655 OKVDGWCLPAKHCN-UHFFFAOYSA-N 350.260 3.908 0 40 FHAB Cc1ccn(-c2ccc(NC(=O)CCn3nc(C)c(Cl)c3C)cc2)n1 28239966 YIBIBUNZSGCZKT-UHFFFAOYSA-N 357.845 3.676 0 40 FHAB CCn1cc(Br)c(C(=O)Nc2cc(C)nn2C2CCCC2)n1 28246201 WMGKLNHKMAFRQP-UHFFFAOYSA-N 366.263 3.538 0 40 FHAB Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 28577162 ZUNYYLNFLADLDK-UHFFFAOYSA-N 365.817 3.774 0 40 FHAB CCc1ccc(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 29308218 AMIIFYGVLXZTCF-UHFFFAOYSA-N 352.843 3.526 0 40 FHAB CCOc1ncccc1CNC(=O)c1sc(-c2cccs2)nc1C 30308270 OMIZNZGVRQUQLL-UHFFFAOYSA-N 359.476 3.904 0 40 FHAB CCOc1ccccc1NC(=O)C[C@H](NC(C)=O)c1ccccc1Cl 32937429 GFEQPVVRFUOAJE-KRWDZBQOSA-N 360.841 3.945 0 40 FHAB O=C(Cn1ccc2ccccc21)NCCCOc1cccc2cccnc12 38680872 QGCWINVYWIELCB-UHFFFAOYSA-N 359.429 3.775 0 40 FHAB COC(=O)C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccccc1 40017263 WBYGFUZICGHGNJ-OAHLLOKOSA-N 351.324 3.740 0 40 FHAB O=C(Nc1ncn(Cc2ccccc2)n1)c1csc(-c2ccccc2)n1 40155062 YLGIXTRUARJMLV-UHFFFAOYSA-N 361.430 3.702 0 40 FHAB Cc1ccccc1CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 42646676 CYPZXXNASJPXRV-UHFFFAOYSA-N 370.758 3.922 0 40 FHAB O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(c2ncnc3sccc23)C1 47254549 IVDSXAKZMHHAQV-LLVKDONJSA-N 373.869 3.595 0 40 FHAB COC(=O)C[C@H](NC(=O)c1c(F)cccc1Cl)c1ccc(OC)cc1 48272065 YGQZIEXBAIYUKG-HNNXBMFYSA-N 365.788 3.522 0 40 FHAB CCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2ccc(C)s2)c1 55622175 YHOPOUCMMKHCED-UHFFFAOYSA-N 358.872 3.859 0 40 FHAB O=C(Cc1cnn(-c2ccccc2)c1)N[C@@H]1CCCC[C@@H]1C(F)(F)F 58151930 LABXVJYEVJNPPE-JKSUJKDBSA-N 351.372 3.652 0 40 FHAB O=C([C@H]1COc2ccccc2O1)N(Cc1ccccn1)c1ccc(F)cc1 58366999 MJGUUMZCFWLNNI-HXUWFJFHSA-N 364.376 3.594 0 40 FHAB O=C(NCCc1ccc(Cl)s1)NC1CCN(CC2CCCC2)CC1 58412612 ZLGUXXFWGAHYOH-UHFFFAOYSA-N 369.962 3.898 0 40 FHAB Cc1nn(C)c2c1[C@H](c1cc(Cl)c3c(c1)OCO3)SCC(O)=N2 61718570 GAVCTGAZRFWXIR-AWEZNQCLSA-N 351.815 3.535 0 40 FHAB CC(C)Oc1ccc(C(=O)N2CCC(Nc3ccc(F)cc3)CC2)cn1 63584076 SLSQZAFXFIRUHA-UHFFFAOYSA-N 357.429 3.725 0 40 FHAB O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1ccccc1O 65577702 NKVPLQKMLCMJSB-UHFFFAOYSA-N 370.412 3.570 0 40 FHAB Cc1nccn1-c1ccc(CNC(=O)c2cc3c(s2)CCCCC3)cn1 65727853 XBRLMUMRSDDIAP-UHFFFAOYSA-N 366.490 3.836 0 40 FHAB Cc1cccc(CC(=O)N2CCC(c3n[nH]c(=S)n3C(C)C)CC2)c1 68446624 YESAHZYDLQWNQK-UHFFFAOYSA-N 358.511 3.779 0 40 FHAB C[C@@H](c1nc(-c2cccs2)no1)S(=O)(=O)CCCc1ccccc1 69737861 DSZCMOMVABLYRM-ZDUSSCGKSA-N 362.476 3.907 0 40 FHAB CC(C)Cn1ccc2c(NC(=O)[C@H](c3ccccc3)n3cnnn3)cccc21 71288588 CMIQLXSVPNQRFA-FQEVSTJZSA-N 374.448 3.512 0 40 FHAB Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1CCN(Cc2ccccc2)C1 73153009 WLPJRHDFSCUOTH-QGZVFWFLSA-N 353.422 3.754 0 40 FHAB C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1)c1ccc(F)cc1 74193192 OLYVJHLMYWWJED-KDOFPFPSSA-N 355.413 3.699 0 40 FHAB COc1ccc2c(c1)OC[C@H](C(=O)N1CC[C@H](c3ccccc3)[C@@H]1C)C2 75107425 UEZHWAPKVBLNNP-CVAIRZPRSA-N 351.446 3.651 0 40 FHAB Cn1c(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cnc1Cl 79106652 QWXSLKMQULPLAK-UHFFFAOYSA-N 374.171 3.547 0 40 FHAB CCOc1ccc(-c2n[nH]c([C@@H](N)c3ccc(Cl)cc3)n2)cc1OC 95534061 FDURKLWBWFNUJN-INIZCTEOSA-N 358.829 3.581 0 40 FHAB O=C(CCc1ncc(-c2ccccc2Cl)o1)N[C@H]1CCN2CCC[C@@H]2C1 95949522 CXXATKSZDPCJHS-LSDHHAIUSA-N 373.884 3.671 0 40 FHAB C[C@H](CCS(C)(=O)=O)Nc1nc(-c2ccccc2)c2ccccc2n1 95966509 OOBLRSUFCTZOEI-CQSZACIVSA-N 355.463 3.532 0 40 FHAB CO[C@](C)(CNC(=O)NCc1ccc(F)cc1)c1cccc(Cl)c1 96393256 VFSAOOWXMOODGM-GOSISDBHSA-N 350.821 3.840 0 40 FHAB Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](CC(C)C)[C@H]2C1=O 102729793 BMHVPIICEQFDLA-XUVXKRRUSA-N 364.445 3.720 0 40 FHAB CN1O[C@@H]2[C@@H]([C@@H]3C[C@@H]2[C@H]2[C@@H](c4ccccc4)N(C)O[C@H]32)[C@H]1c1ccccc1 103661739 XYSZPVPKJUXUFN-YKRHEYRCSA-N 362.473 3.842 0 40 FHAB CCc1nc([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCCC3)cs1 111363055 GCCVDJUWMHOKOI-LBPRGKRZSA-N 350.509 3.624 0 40 FHAB Cc1cnc(Nc2cc(C3CNC3)nc(-c3ccccc3Cl)n2)s1 147078612 OYOQQFFKGAWGII-UHFFFAOYSA-N 357.870 3.992 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 223154544 YMWSLMRZEIBUPI-LJQANCHMSA-N 372.896 3.826 0 40 FHAB Cc1ccccc1OCCNC(=O)C1CCN(Cc2ccccc2F)CC1 224551118 HHIQPVSNXHLWMF-UHFFFAOYSA-N 370.468 3.541 0 40 FHAB Cc1ccccc1OCCNC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 225129993 PTEALOYKEKIEJS-QGZVFWFLSA-N 353.462 3.836 0 40 FHAB COc1cccc(-c2noc(CN(C)C(=O)c3cc(C)c(C)cc3C)n2)c1 225652914 GITBMFZSKQTJEK-UHFFFAOYSA-N 365.433 3.943 0 40 FHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1cccc(C)n1 225688767 VGNOUYMPZYKMJB-OAHLLOKOSA-N 357.479 3.987 0 40 FHAB CCOc1ccc(OC)cc1-c1ccc(C(=O)NCCO)c(CC(C)C)c1 257282905 OVVADOBHQJJVQF-UHFFFAOYSA-N 371.477 3.682 0 40 FHAB Fc1ccc(CN2CC[C@]3(C2)CN(Cc2ccccn2)c2cccnc23)cc1 306140706 VBKMQAQLEJQTML-QHCPKHFHSA-N 374.463 3.780 0 40 FHAB CCc1ccc(CS(=O)(=O)N2CCC[C@@H]2c2csc(C)n2)cc1 330214331 LPJWPHSCXCPRRM-QGZVFWFLSA-N 350.509 3.681 0 40 FHAB O=C(c1cccc2ccccc12)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575613775 TYDYRXFTRHDMQM-OAHLLOKOSA-N 353.809 3.577 0 40 FHAB C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1ccc(F)c(S(C)(=O)=O)c1 1218042440 UFXUVUBIAGZSJA-RISCZKNCSA-N 356.463 3.566 0 40 FHAB c1nc(N2CCC(COc3ccc(C4CC4)nn3)CC2)c2ccsc2n1 1775965880 NNVURAVRBLAPMO-UHFFFAOYSA-N 367.478 3.654 0 40 FHAB CC(C)Oc1ccc(C(=O)NCc2cc(-c3cccs3)nn2C)cc1 1775966525 JOJAFSKVYCSRAW-UHFFFAOYSA-N 355.463 3.866 0 40 FHAB CCOc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1 646344 AONRVTLBDYPZTR-UHFFFAOYSA-N 358.463 3.704 0 40 FHAB CCOc1ccc(NC2=C(Cl)C(=O)N(c3cccc(OC)c3)C2=O)cc1 939896 QXAUVRHYUWDMSQ-UHFFFAOYSA-N 372.808 3.530 0 40 FHAB CCOC(=O)c1csc(-n2nc(-c3ccco3)cc2C(F)(F)F)n1 1415740 HNFWLPFGCZWEFS-UHFFFAOYSA-N 357.313 3.784 0 40 FHAB Cc1sc2nc(SCC(=O)c3ccc(F)cc3)n(C)c(=O)c2c1C 2371675 XEROJVKRIWHEPH-UHFFFAOYSA-N 362.451 3.726 0 40 FHAB COC(=O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 3191931 KOMNHDDAIBWBMD-UHFFFAOYSA-N 374.396 3.978 0 40 FHAB COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2cccc(C)c2C)c1C 3317786 KQNFORHZXNGHSP-OAHLLOKOSA-N 357.450 3.969 0 40 FHAB C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)NC1CCCC1 3522924 MPADYGSWEMNJDW-ZDUSSCGKSA-N 356.495 3.684 0 40 FHAB Cn1c(SCC(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccco1 3555208 OVUCJCVGGCTHRA-UHFFFAOYSA-N 366.805 3.598 0 40 FHAB Cc1ccc(SCC(=O)Nc2ccc(N3CCN(C)CC3)c(F)c2)cc1 4053826 FQGUTZLKVJPDKK-UHFFFAOYSA-N 373.497 3.617 0 40 FHAB CC(C)(C)OC(=O)N1CCN([C@H](C(=O)O)c2cccc3ccccc23)CC1 4241868 DDVSCUBGOYVIJP-SFHVURJKSA-N 370.449 3.518 0 40 FHAB CC(C)(C)CC(C)(C)NC[C@H](O)COCCOc1ccc(Cl)cc1 4279122 NOGSUFTZWFFFEI-INIZCTEOSA-N 357.922 3.901 0 40 FHAB COc1ccc([C@@H]2c3cc(OC)c(OC)cc3C[C@H]3COC[C@@H]32)cc1OC 4782956 MNYFJOSGQNXLHS-GIMINZRKSA-N 370.445 3.672 0 40 FHAB COc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 4835032 WKVIJYQGYRJPOO-CYBMUJFWSA-N 358.825 3.649 0 40 FHAB CSc1ccc(-c2nnc(NC(=O)c3ccc(C(C)=O)cc3)o2)cc1 5240352 HVUWQQTYCOZDIX-UHFFFAOYSA-N 353.403 3.913 0 40 FHAB COc1cccc(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)c1 5362163 YGQPERFWFTUPFF-UHFFFAOYSA-N 359.447 3.821 0 40 FHAB Cc1cc(C)c2nc(NC(=O)CSc3nnc(C)s3)sc2c1 5429653 CYVIMPFOMMFUQE-UHFFFAOYSA-N 350.494 3.804 0 40 FHAB O=C1C[C@](/C=C/c2ccccc2)(C(=O)NC2CCCC2)N1c1ccccc1 5451758 AZWLXQLNATZNFJ-POICXBNUSA-N 360.457 3.934 0 40 FHAB Cc1nn(C)c(C)c1/C=C/C(=O)O[C@@H](C)C(=O)c1c(C)[nH]c2ccccc12 5775061 FVGBVVHKVVULLO-NKSUMMKUSA-N 365.433 3.654 0 40 FHAB Nc1c(Br)cc2oc(-c3ccncc3)nc2c1Br 6277167 CYLXPPBCZDFHNW-UHFFFAOYSA-N 369.016 3.997 0 40 FHAB Cc1cc(C)c(OCC(=O)O[C@H](C)C(=O)Nc2ccccc2F)c(C)c1 6551565 KQYWNPDSFFXGHU-OAHLLOKOSA-N 359.397 3.700 0 40 FHAB CCCOc1ccc(C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)cc1 6593400 LBDVNTWOLHGFBX-UHFFFAOYSA-N 372.534 3.904 0 40 FHAB COc1ccc(C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)cc1OC 6607869 SXTXFVOSZOQYAE-UHFFFAOYSA-N 368.385 3.784 0 40 FHAB COc1ccc([C@@H](CNC(=O)Nc2ccc(C)cc2)N2CCCC2)cc1 6650247 CWEAGIGFWXKNQS-HXUWFJFHSA-N 353.466 3.962 0 40 FHAB CCOc1cc(Cl)c(S(=O)(=O)n2ccnc2C(C)C)cc1Cl 7348621 JJUGMPMSUXHYPW-UHFFFAOYSA-N 363.266 3.949 0 40 FHAB CN(CC(=O)Nc1ccccc1C(=O)c1ccccc1)Cc1ccccc1 7785790 CAYOTHYMSGZETO-UHFFFAOYSA-N 358.441 3.988 0 40 FHAB COc1ccc(OCC(=O)OCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 7788857 ZIGKHVGTPTXWAF-UHFFFAOYSA-N 371.433 3.553 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)Cc1cccs1 7846053 UZNNGHDSPVSRHR-UHFFFAOYSA-N 354.479 3.621 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 8723092 YOAKYVTVSLIOIR-CQSZACIVSA-N 372.852 3.982 0 40 FHAB COc1ccccc1-n1[nH]c(C)c(Cc2ccc(Br)cc2)c1=O 8990179 YLFVCPRORVLNJM-UHFFFAOYSA-N 373.250 3.836 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 8993702 KWYZOGNSHILEAY-YPMHNXCESA-N 363.508 3.694 0 40 FHAB COCCn1c(S[C@@H](C)C(=O)Nc2ccccc2F)nc2ccccc21 9073818 ZWNDLACMZZEMEO-ZDUSSCGKSA-N 373.453 3.941 0 40 FHAB CCCCOc1ccc(NC(=O)[C@@H](C)Sc2ncnc3nc[nH]c23)cc1 9421732 WFKQMYDFEPAVIB-GFCCVEGCSA-N 371.466 3.651 0 40 FHAB C[C@H](Sc1ncnc2ccccc12)C(=O)N(C)Cc1cccc(F)c1 9499911 VKEHRXNBCAQNBA-ZDUSSCGKSA-N 355.438 3.908 0 40 FHAB CCOC(=O)c1ccc(OCc2nc(-c3ccc(OC)cc3)no2)cc1 9594798 DUFYPQXVVUVXJC-UHFFFAOYSA-N 354.362 3.501 0 40 FHAB COc1cc(CC(=O)N[C@H](c2ccccc2)C2CC2)cc(OC)c1OC 11203671 KLZPKGCDARYXHC-HXUWFJFHSA-N 355.434 3.522 0 40 FHAB CC(C)(C)n1nc([C@H]2CCCN(C(=O)c3ccccn3)C2)c2cccnc21 12219970 YSQXWJGKYVWSMZ-HNNXBMFYSA-N 363.465 3.601 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCc1cc(-c2ccccc2)on1 12235473 CWGSCEPVWGOELQ-UHFFFAOYSA-N 359.385 3.630 0 40 FHAB CSc1nc2ccc(NC(=O)Cc3cn4ccsc4n3)cc2s1 12531803 DQQQNNMGNUGIMQ-UHFFFAOYSA-N 360.489 3.909 0 40 FHAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 12600538 UCVMWSVHIWMDIY-GASCZTMLSA-N 366.461 3.670 0 40 FHAB O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1ccc(=O)[nH]c1 12742627 PLGBNHBPVNDDSG-UHFFFAOYSA-N 355.463 3.552 0 40 FHAB CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1Cl 12884280 BIOOAPSGFBYZHF-UHFFFAOYSA-N 352.843 3.716 0 40 FHAB C[C@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc(-n2cncn2)cc1 12998118 RUSSWLHHLGTSID-ZDUSSCGKSA-N 374.366 3.706 0 40 FHAB Cc1nc(C2(NC(=O)c3ccccc3Br)CCCCC2)no1 14189649 ABDGERKFHDZXLE-UHFFFAOYSA-N 364.243 3.730 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)COc1cc(C)cc(C)c1 14796031 GXBWVWFSCGELRX-UHFFFAOYSA-N 354.450 3.851 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)N2CCc3cc4cccc(C)c4nc32)c1 15842061 RDDLXGBLOKQVRY-UHFFFAOYSA-N 352.459 3.911 0 40 FHAB Brc1ccc([C@@H]2C[C@H](c3cccs3)Nc3nnnn32)cc1 15866471 JVUMKBNQXMNRIY-NEPJUHHUSA-N 362.256 3.643 0 40 FHAB COc1ccc(NC(=O)c2oc3c(c2C)[C@@H](O)CC(C)(C)C3)c(OC)c1 16740250 MOCIVPWQSHKCAC-AWEZNQCLSA-N 359.422 3.863 0 40 FHAB CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)C3CC3)CC2)n1 19084704 SFTUMXNNUQFYRR-UHFFFAOYSA-N 364.493 3.952 0 40 FHAB c1ccc(CC2N3[C@@H](Cc4ccccc4)N[C@@H](Cc4ccccc4)N23)cc1 19167041 FLEMRTPTNCXWLO-FBGVFJRTSA-N 355.485 3.829 0 40 FHAB Cc1nn(C)cc1[C@@H](C)NC(=O)c1c(-c2ccccc2Cl)noc1C 19666678 WXVTYGHWTSEDIV-SNVBAGLBSA-N 358.829 3.836 0 40 FHAB CCOc1cc(CN2CCN(C(=O)CCC3CCCC3)CC2)ccc1OC 19889284 HXFMVHZYEZKATR-UHFFFAOYSA-N 374.525 3.709 0 40 FHAB COC[C@@H](C)N[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 21820016 GNJNNUYVSNVKER-FZKQIMNGSA-N 362.857 3.653 0 40 FHAB CCN1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2cccc(C)c2)CC1 22460076 BNNOXCNTTHVEHA-XLIONFOSSA-N 371.550 3.554 0 40 FHAB Cc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1C 22510426 TXEIAIIHBUSKPW-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cccc(Cn3cccn3)c2)c1 25134146 XZAPIBMHGNVUTI-YWZLYKJASA-N 374.444 3.778 0 40 FHAB COCc1ccccc1CNC(=O)c1ccc(F)cc1Br 25305282 BBAFSICTMVYCBG-UHFFFAOYSA-N 352.203 3.665 0 40 FHAB O=C(Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)C1CCC1 27739296 KSDIMVZCSZCTPC-UHFFFAOYSA-N 364.854 3.879 0 40 FHAB COc1cccc(Cn2nc(C)c(NC(=O)c3cccc(F)c3)c2C)c1 28305186 NBNKWHMSZOIMOA-UHFFFAOYSA-N 353.397 3.948 0 40 FHAB O=C(Nc1cccc(Cn2cccn2)c1)c1cccc(Br)c1 31968852 AHANKZDBDHNNGA-UHFFFAOYSA-N 356.223 3.946 0 40 FHAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN1C(=O)c1ccoc1 33095434 HTDUYNPGRFTXOX-AWEZNQCLSA-N 353.205 3.830 0 40 FHAB CC(C)c1noc(CCC(=O)Nc2ccc(Br)cc2F)n1 33147436 POMSHFLZCMOFMG-UHFFFAOYSA-N 356.195 3.666 0 40 FHAB Cn1c(Cc2ccc(Cl)cc2)nnc1[S@](=O)Cc1ccc(F)cc1 35683104 JBIDXQPAISLMLZ-DEOSSOPVSA-N 363.845 3.506 0 40 FHAB COc1ccc(NC(=O)C2CCN(Cc3ccccc3C)CC2)c(OC)c1 39741289 CTQAHFKIUSDUAS-UHFFFAOYSA-N 368.477 3.863 0 40 FHAB CC(=O)c1ccc(O[C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)cc1 40049854 NJDCDJUQEAUKQS-HNNXBMFYSA-N 354.406 3.622 0 40 FHAB CCOCCn1c([C@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 40251565 WVTZHWSIAUIUHU-KRWDZBQOSA-N 363.461 3.902 0 40 FHAB C[C@@H](Sc1nnc(C(C)(C)C)o1)C(=O)NC12CC3CC(CC(C3)C1)C2 42569724 RMKOSPSIHLUFCL-UZNLNLPZSA-N 363.527 3.933 0 40 FHAB C[C@@H](N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)N1CCCC1 56153317 MJZSZDOPEMSOLN-IAGOWNOFSA-N 365.477 3.600 0 40 FHAB COc1cc([C@@H](C)NC(=O)Nc2ccccc2Cl)ccc1OCCO 57039061 KTSNNDVSJDMJLL-GFCCVEGCSA-N 364.829 3.602 0 40 FHAB COc1ccc2oc(C(=O)NC[C@H](c3cccc(F)c3)N(C)C)c(C)c2c1 60390837 SHOBNRLELMICBU-GOSISDBHSA-N 370.424 3.922 0 40 FHAB COc1cccc2c1ccn2CCC(=O)Nc1nnc(CC(C)C)s1 61719125 ZPNNDCUIFCFWFM-UHFFFAOYSA-N 358.467 3.729 0 40 FHAB Cc1nc(-c2ccccn2)nc(N2CCO[C@H](c3ccccc3F)C2)c1C 68699356 QUWTXRBXFCEWIH-IBGZPJMESA-N 364.424 3.872 0 40 FHAB NC(=O)c1cccc(-c2nccnc2[C@@H]2CCCN(C3CCCCC3)C2)c1 72358340 ONHWJZLTQAWGQN-GOSISDBHSA-N 364.493 3.755 0 40 FHAB O=C(c1cccnc1)N1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1 72358702 CVDVGKUJSJBGCC-KRWDZBQOSA-N 362.408 3.698 0 40 FHAB CC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)CCC2 72372944 OIANMIKRQSNEFF-IBGZPJMESA-N 356.514 3.801 0 40 FHAB Cc1ccc(C(=O)Nc2ccc(Oc3cccc4[nH]ccc34)nc2)c(=O)n1C 72404964 DQHIEHZKICLIIH-UHFFFAOYSA-N 374.400 3.615 0 40 FHAB COc1cccc(S(=O)(=O)CCN2CCC[C@@H](C(C)(C)C)CC2)c1 78759371 ICLQQLFOFXSMKR-MRXNPFEDSA-N 353.528 3.617 0 40 FHAB Cc1ccc([C@@H](CNC(=O)/C=C/c2ccnc(Cl)c2)N2CCCC2)o1 84195142 QXCHQJIEYPLQPS-BIENSFFJSA-N 359.857 3.603 0 40 FHAB Cc1ccc(-c2cnc(CCC(=O)N3CCC[C@H]3[C@@H]3CCCC3=O)o2)cc1 95451314 DMZBCTUTPKPWAY-ROUUACIJSA-N 366.461 3.943 0 40 FHAB O=C(COc1ccccc1OCc1ccccc1)N1CCc2ccncc21 95467843 USFRVOLPDDKYKK-UHFFFAOYSA-N 360.413 3.629 0 40 FHAB O=C(N[C@H]1CCCc2sccc21)c1ccc(OCC(F)(F)F)nc1 95944835 QDYBCTBOSGXPOY-LBPRGKRZSA-N 356.369 3.892 0 40 FHAB COc1cccc([C@@H]2CN(Cc3ccccc3)[C@@H]3CCCCC(=O)N[C@@H]23)c1 95951537 MGBLMIZYLJHQES-XJUOHMSHSA-N 364.489 3.722 0 40 FHAB O=C1N[C@H](c2ccc(OC(F)F)c(Br)c2)Nc2ccccc21 95982504 RQBNIRMYQQWXNA-CYBMUJFWSA-N 369.165 3.905 0 40 FHAB Cc1ccc(NC(=O)c2cc3c(cc2O)CCCC3)cc1C(=O)N(C)C 95982981 UUFACPGPYFBLQK-UHFFFAOYSA-N 352.434 3.534 0 40 FHAB Cn1ccnc1CN1CCC2(CC1)CN(c1cccnc1)c1ccccc12 96241292 MJAQIZZLSZYXQQ-UHFFFAOYSA-N 359.477 3.501 0 40 FHAB Cc1cc(C)nc(SCc2ccc(C(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C4)o2)n1 101407824 OPSQNQOLEHMVQV-JYJNAYRXSA-N 369.490 3.921 0 40 FHAB Cc1ccc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(n2cncn2)(C4)C3)c(C)c1 102833568 FYTHXZSXMIXSLB-AMZMEHNNSA-N 350.466 3.829 0 40 FHAB CC[C@H](C)[C@H](NC(N)=O)C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 104801760 DDJWTLULXXXMCV-KHYOSLBOSA-N 353.466 3.614 0 40 FHAB COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1ccccc1)CC(C)(C)O2 219490154 QBFHTDQDDVTKBQ-KSSFIOAISA-N 355.434 3.881 0 40 FHAB COc1ccc(OCCNC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 224288732 IEAAXZCJXDEJMQ-MRXNPFEDSA-N 365.429 3.811 0 40 FHAB CCN1CCN(C(=O)c2ccc(OC)c(CSc3ccccc3)c2)CC1 224330307 ICIGYRZEMRLADQ-UHFFFAOYSA-N 370.518 3.765 0 40 FHAB CCCCNC(=O)CCc1ncc(-c2ccc(Br)cc2)o1 224873974 XACHTSSDLGLUHG-UHFFFAOYSA-N 351.244 3.953 0 40 FHAB COc1cccc(NC(=O)c2ccc(C)cc2I)c1 225010139 NTNYQEHOTQHFAZ-UHFFFAOYSA-N 367.186 3.861 0 40 FHAB Cc1cccc(OCC(=O)Nc2cc(Cl)c3nc(NN)sc3c2)c1 226312925 UOYHQDJQHRJOIH-UHFFFAOYSA-N 362.842 3.561 0 40 FHAB Cc1cccc(CN2Cc3cccn3[C@H](CCOCC3CCOCC3)C2)n1 247864397 HVUGDOSXZYBLSA-JOCHJYFZSA-N 369.509 3.582 0 40 FHAB COc1cccc2cc(C(=O)NCCn3cc(-c4ccccc4)cn3)oc12 253471288 BSCGQOFJDKTQHX-UHFFFAOYSA-N 361.401 3.735 0 40 FHAB O=c1oc2ccc(-c3ccc(S(=O)(=O)c4ccccc4)cc3)cc2o1 255190833 ZUZJXUMBMXTOSN-UHFFFAOYSA-N 352.367 3.886 0 40 FHAB Cc1nc(-c2cccc(C(=O)O)c2)cc([C@@H]2CCN(C(=O)C(C)(C)C)C2)n1 257240894 HVPHERVZSRVDOX-MRXNPFEDSA-N 367.449 3.512 0 40 FHAB Cn1cncc1-c1cncc(C2CCN(Cc3cc(F)ccc3F)CC2)n1 257298240 RKUYNOKPPWPJSG-UHFFFAOYSA-N 369.419 3.535 0 40 FHAB Cc1ncsc1CN1CCN(C)C[C@@H](Cc2cccc3ncccc23)C1 257339764 ZDBVNCJEHIXHHG-QGZVFWFLSA-N 366.534 3.606 0 40 FHAB CCn1ccnc1[C@H](NC(=O)[C@H]1C[C@H]1c1sccc1C)C1CCOCC1 286910406 PNWAHIRUVWOHDR-IXDOHACOSA-N 373.522 3.661 0 40 FHAB O=C(O)CSc1nnc(Cc2ccccc2)n1Cc1ccc(Cl)cc1 408545044 OCENBAWDDFYZRP-UHFFFAOYSA-N 373.865 3.747 0 40 FHAB Cc1cccc(Cn2cc([C@@H]3NC[C@H](C(=O)O)S3)c3ccccc32)c1 408977254 HVMKVADNBUIRBI-RTBURBONSA-N 352.459 3.786 0 40 FHAB CCOc1cc(Cl)c(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1OC 409014523 PZPRUFRODUXIPZ-OQLLNIDSSA-N 372.808 3.845 0 40 FHAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NC(C)(C)C)ccc2C)c1 409384044 XNSXLJTWENMZPA-UHFFFAOYSA-N 374.506 3.941 0 40 FHAB COc1ccc([C@H](NC(=O)CC2(n3cccc3)CCOCC2)C(C)C)cc1 524729242 KXLUMZRPHWUGBK-OAQYLSRUSA-N 370.493 3.906 0 40 FHAB biogenic Cn1nc(C(=O)N2CCC(c3ccc4cccnc4n3)CC2)c2ccccc21 529513941 SHVNFTKXQMTVHT-UHFFFAOYSA-N 371.444 3.536 0 40 FHAB O=C(NCC1COC1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 530112100 JBHKUCUAGAIDSS-UHFFFAOYSA-N 351.324 3.874 0 40 FHAB Cc1ccc(C(C)(C)CN[C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1 565510147 DCNXGXJPAAXRCG-HXUWFJFHSA-N 372.534 3.587 0 40 FHAB CN1CC[C@@]2(CCN(C(=O)c3ccc4c(ccn4Cc4ccccc4)c3)C2)C1 575460315 ZQRGKJPJOVWPIP-XMMPIXPASA-N 373.500 3.857 0 40 FHAB Cn1ccnc1[C@H](NC1CCC(O)(c2cccc(Cl)c2)CC1)C1CC1 585081837 KAMGFJSCRLASRS-QPIRBTGLSA-N 359.901 3.945 0 40 FHAB Cc1ccc(CN2CCc3oc(C(=O)N4C[C@@H](C)C[C@@H](C)C4)nc3C2)cc1 585112526 RAKYHVAXVBSILB-CALCHBBNSA-N 367.493 3.659 0 40 FHAB CNC(=O)c1cnc(C2(C)CCN(Cc3c[nH]c4ccccc34)CC2)s1 585182402 JDTGQIUQBHEJRH-UHFFFAOYSA-N 368.506 3.538 0 40 FHAB CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1cc(C(F)(F)F)ccc12 585672700 QQSASFWKACEHPN-UHFFFAOYSA-N 370.371 3.926 0 40 FHAB Cc1c(NC(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)cccc1N(C)C 654028891 NIRYTWLFSLXFSU-DOMZBBRYSA-N 359.392 3.683 0 40 FHAB COc1cc(C)nc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1 676412179 DRVSOSPSRTWMJP-JTQLQIEISA-N 358.389 3.653 0 40 FHAB O=C(/C=C/c1cccs1)N1CCc2ncnc(-c3ccsc3)c2CC1 1565550962 KNLPSDMFWYZDET-ONEGZZNKSA-N 367.499 3.907 0 40 FHAB Cc1ccc2c(c1)NC(=O)N(Cc1ccc(CC(C)C)cc1)S2(=O)=O 1644143349 UFUKPEYQBFDMND-UHFFFAOYSA-N 358.463 3.930 0 40 FHAB Cc1ccc(CN2CCC(Oc3nccc(C(F)(F)F)n3)CC2)s1 1888847509 NVHNOUYPTAJMEL-UHFFFAOYSA-N 357.401 3.909 0 40 FHAB O=C1CO[C@]2(CCCN(C3CCCCC3)CC2)CN1c1cccc(F)c1 2037840193 IKRSZQPIFLMTIP-NRFANRHFSA-N 360.473 3.746 0 40 FHAB Cc1cccc(CN2CCC(Nc3ccccc3)(C(=O)N(C)C)CC2)c1 2055751241 ZIOBEJAYHBGIEN-UHFFFAOYSA-N 351.494 3.530 0 40 FHAB COc1ccc(Cc2nn3c(-c4ccc(C)cc4)nnc3s2)cc1OC 632572 BTWIIEXHJAZKAJ-UHFFFAOYSA-N 366.446 3.769 0 40 FHAB Cc1ccccc1C(=O)Nc1ccc(I)c(C)n1 679703 LFMGZUJSVOTOFY-UHFFFAOYSA-N 352.175 3.555 0 40 FHAB COc1cccc(NC(=O)CSc2ncnc3sc4c(c23)CCC4)c1 711325 MRIOKHBWRPWAHL-UHFFFAOYSA-N 371.487 3.919 0 40 FHAB Cc1ccccc1N[C@@H](NC(=O)c1cccnc1)C(Cl)(Cl)Cl 808603 YNIRFGLOBODYIT-AWEZNQCLSA-N 358.656 3.928 0 40 FHAB CCc1ccc(N2C[C@@H](C(=O)Nc3nc4ccccc4s3)CC2=O)cc1 969402 BCYJFEIRNIKIAO-AWEZNQCLSA-N 365.458 3.850 0 40 FHAB O=c1c2cnn(-c3ccccc3Cl)c2ncn1Cc1ccc(Cl)cc1 1330868 JGMHSOKWUGIJOX-UHFFFAOYSA-N 371.227 3.937 0 40 FHAB Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(=O)n1 1994264 CGZMNTNEGYPHGK-INIZCTEOSA-N 363.417 3.852 0 40 FHAB CCCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 2093668 GRUMFCPQJZYFPI-FQEVSTJZSA-N 354.475 3.601 0 40 FHAB O=C(Nc1cccc(Cl)c1Cl)N[C@@H](Cc1ccccc1)C(=O)O 2333606 PLASBCKFEUBJSM-ZDUSSCGKSA-N 353.205 3.811 0 40 FHAB CCCc1nc2sc3c(NCCN(C)C)ncnc3c2c2c1CCC2 2409649 FVJQUVHGWNZFDM-UHFFFAOYSA-N 355.511 3.654 0 40 FHAB COc1ccccc1C(=O)OCC(=O)Nc1nc(-c2ccccc2)cs1 3271186 CQRQWPJWVFZULP-UHFFFAOYSA-N 368.414 3.614 0 40 FHAB O=Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 3386261 IYYYDHNBNYTSLH-UHFFFAOYSA-N 352.173 3.601 0 40 FHAB CCOc1ccccc1NC(=O)COC(=O)c1oc2ccccc2c1C 3537296 RFAFSBKPUUNOHG-UHFFFAOYSA-N 353.374 3.935 0 40 FHAB CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1cccs1 4161531 PPOYSJMEORKLSV-UHFFFAOYSA-N 365.509 3.522 0 40 FHAB CCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OCC)c1 4189358 FJLYSSCSIJBADY-GOSISDBHSA-N 360.454 3.837 0 40 FHAB COc1ccc(-c2c(C)c3cc(OC(=O)N(C)C)ccc3oc2=O)cc1 4340765 ZIZRZIBUDIKVCZ-UHFFFAOYSA-N 353.374 3.837 0 40 FHAB biogenic Cc1ccc(S(=O)(=O)C(=O)Oc2ccc(Br)cc2)cc1 4503116 YJVUKBRQOZVPRU-UHFFFAOYSA-N 355.209 3.730 0 40 FHAB CC1(C)[C@H]2CC[C@]1(C)c1nc(S[C@@H]3Cc4ccccc4C3=O)nnc12 5060026 XVEIPILUCCXLNH-LRDNONRASA-N 351.475 3.946 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1OC 5260075 RYWOTCCYFPVJJV-UHFFFAOYSA-N 361.341 3.523 0 40 FHAB CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccc2[nH]c(=O)[nH]c2c1 5602127 CWPUFGNUNJJCKR-VXPUYCOJSA-N 366.446 3.647 0 40 FHAB C[C@@H]1CCc2c(sc3nc([C@@H](C)OC(=O)c4ccco4)[nH]c(=O)c23)C1 5666135 ONTJXQQTDFXBRW-NXEZZACHSA-N 358.419 3.620 0 40 FHAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)Cc1ccccc1 6478243 UOOIDQMXIJMSCA-UHFFFAOYSA-N 363.446 3.651 0 40 FHAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cnc(Cl)c(Cl)c1 6510535 RXCHGWSLEONFPJ-AWEZNQCLSA-N 368.264 3.938 0 40 FHAB CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2ccccc2C(=O)O)c1 6570355 JITVDIQHKHELHU-LBPRGKRZSA-N 372.446 3.689 0 40 FHAB COC(=O)c1sc2nc(C)nc(Nc3ccc4c(c3)OCO4)c2c1C 6587658 KHZQSJZIQZDVJF-UHFFFAOYSA-N 357.391 3.567 0 40 FHAB CCc1nonc1NC(=O)c1oc2cc(Br)ccc2c1C 6743429 DDPCWWPIKCJUKD-UHFFFAOYSA-N 350.172 3.701 0 40 FHAB O=C(Cc1ccsc1)NCCSc1ccc(Br)cc1 6788461 KACZORFDHCGYPW-UHFFFAOYSA-N 356.310 3.962 0 40 FHAB Cc1cc(NS(=O)(=O)c2ccc(F)c(F)c2)ccc1Br 7056260 KVVIDYPNVNQNTM-UHFFFAOYSA-N 362.195 3.837 0 40 FHAB Cc1nc(-c2ccc(CNC(=O)c3n[nH]c4ccccc34)s2)cs1 7118751 ZQQPEIJNGDHZIP-UHFFFAOYSA-N 354.460 3.986 0 40 FHAB Cc1cc(NC(=O)[C@H](C)Sc2nnc(Nc3ccccc3)s2)no1 7206270 QWRSQSLTGDDDEI-JTQLQIEISA-N 361.452 3.697 0 40 FHAB CCc1nnc2c(NCCCN3CCCC[C@@H]3CC)nc3ccccc3n12 7504204 BSXNCMVFUBYZRJ-INIZCTEOSA-N 366.513 3.906 0 40 FHAB CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)CCC(C)=O)n2)cc1 7515001 IQFDOKKKJREJRA-CYBMUJFWSA-N 374.462 3.612 0 40 FHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CSCc1ccccc1 7523420 JPXVOTKRGJNJLH-UHFFFAOYSA-N 356.491 3.634 0 40 FHAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)c1ccc(F)cc1 7681194 MZFDVYQHSJXKKI-CQSZACIVSA-N 357.429 3.806 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1F 8040975 IOQIQOSADZFBGX-QGZVFWFLSA-N 358.413 3.762 0 40 FHAB COc1cc2ccccc2cc1C(=O)Nc1cccc(C(=O)NC2CC2)c1 8230834 DIWWSMOERBBOMX-UHFFFAOYSA-N 360.413 3.993 0 40 FHAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)N3CCCCCC3)C(=O)[C@H]2C1 8473319 SSKJAZHDOKFXJS-AEFFLSMTSA-N 366.461 3.549 0 40 FHAB COc1ccc(Cl)cc1NC(=O)CSc1nc(C2CCCC2)n[nH]1 8708987 GVIYSKIEXOMGSQ-UHFFFAOYSA-N 366.874 3.855 0 40 FHAB COC(=O)c1ccc2nc(NC(=O)COc3cc(C)cc(C)c3)sc2c1 8904287 CDBVKJSZOJEFEL-UHFFFAOYSA-N 370.430 3.717 0 40 FHAB COCCn1c(S[C@H](C)C(=O)Nc2ccccc2F)nc2ccccc21 9073820 ZWNDLACMZZEMEO-CYBMUJFWSA-N 373.453 3.941 0 40 FHAB O=C(Nc1nnc(SCc2ccccc2Cl)s1)c1csnn1 9250862 WGPFVVXTMVWAGP-UHFFFAOYSA-N 369.884 3.588 0 40 FHAB COC(=O)c1cccc(NC(=O)CNc2ccc3c4c(cccc24)CC3)c1 9368674 IJYMYISPNRBAJR-UHFFFAOYSA-N 360.413 3.776 0 40 FHAB CN(C)C[C@@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1 9578959 PTRWSJDNHNJLLH-OAQYLSRUSA-N 374.488 3.782 0 40 FHAB O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc(F)c(F)c1 9906756 JDKIHPZYYYACAZ-UHFFFAOYSA-N 352.768 3.707 0 40 FHAB COc1ccc([C@H](NC(=O)NCc2nc3ccccc3n2C)C(C)C)cc1 10261093 ZQTZJUXKNUQHLP-HXUWFJFHSA-N 366.465 3.778 0 40 FHAB O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccc(F)cc1 10923180 AFLFCUBHKGVVNK-UHFFFAOYSA-N 355.394 3.716 0 40 FHAB CCS(=O)(=O)c1ccc(NCC(=O)Nc2ccc3ccccc3c2)cc1 11038796 MSTCMDNXHWJVGT-UHFFFAOYSA-N 368.458 3.684 0 40 FHAB CO[C@H]1CCC[C@H](C(=O)N2CCC(c3nc4ccccc4cc3N)CC2)C1 12087779 XNJXIBGTHGHUMH-ROUUACIJSA-N 367.493 3.728 0 40 FHAB CCc1c(C)nc2cc([C@@H]3CCN(Cc4ccc(F)c(F)c4)C3)nn2c1O 12276371 LEFNFKYOZNCZSY-CQSZACIVSA-N 372.419 3.573 0 40 FHAB CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc2nccnc2c1 12420890 MZLWNEMLBBHRGS-LJQANCHMSA-N 350.809 3.981 0 40 FHAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)/C=C/c2ccccc2)c1 12522392 NQZUWHMHNOZPEP-FMIVXFBMSA-N 350.418 3.725 0 40 FHAB O=C(CCCNC(=O)c1ccc(F)cc1F)Nc1ccc(F)c(Cl)c1 12771743 DEZHZRKMEZQDRV-UHFFFAOYSA-N 370.758 3.906 0 40 FHAB O=C(CC[C@H]1Cc2ccccc2NC1=O)NC12CC3CC(CC(C3)C1)C2 12786672 XGEDXVSJYQPKOJ-CONPEVPGSA-N 352.478 3.663 0 40 FHAB Cc1cc(Cl)ccc1OCC(=O)NCc1ccc(Cn2cccn2)cc1 12792466 ORLSVLQKFZBRBP-UHFFFAOYSA-N 369.852 3.588 0 40 FHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCOC(C)C 12939552 KQCLHPQTHKHJGR-UHFFFAOYSA-N 354.809 3.987 0 40 FHAB CCOc1cc2ccccc2cc1C(=O)Nc1n[nH]c(C(F)(F)F)n1 12974016 SCCWDHVCOXENOL-UHFFFAOYSA-N 350.300 3.628 0 40 FHAB CCc1nnc(NC(=O)c2ccccc2SCc2cc(C)on2)s1 14016823 GLIDXUMAIQOKGQ-UHFFFAOYSA-N 360.464 3.942 0 40 FHAB Cc1ccc(CNC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1 14071569 JXIHLGPGAKPXRY-UHFFFAOYSA-N 365.458 3.563 0 40 FHAB O=c1[nH]c(CSc2nnc(-c3cccc(Cl)c3)o2)nc2ccccc12 14170367 YDGRFSLYZILWKK-UHFFFAOYSA-N 370.821 3.919 0 40 FHAB C[C@H]1c2cccn2CCN1CCS(=O)(=O)c1cc(Cl)ccc1Cl 14198935 YRMPVZPXKWNFQT-LBPRGKRZSA-N 373.305 3.645 0 40 FHAB COc1ccc(Br)cc1CN(C)C(=O)c1ccc[nH]c1=S 14236412 XPYFULRMHBYJHD-UHFFFAOYSA-N 367.268 3.787 0 40 FHAB CSc1ccc(NC(=O)CSCC(=O)Nc2ccccc2F)cc1 14252808 SWYBSKPRVOPSGA-UHFFFAOYSA-N 364.467 3.858 0 40 FHAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)NCCc2ccc(Cl)cc2)c1 17112323 HAKNXRJAMMLPPV-UHFFFAOYSA-N 373.884 3.779 0 40 FHAB CC(=O)N[C@H]1C(=O)N(Cc2ccccc2OCCC(C)C)c2ccccc21 18063521 GVLPHPSZUOLDGY-OAQYLSRUSA-N 366.461 3.836 0 40 FHAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)[C@H](C)n2nccc2C)sc1C 19238314 VXGJKOACVBDQSO-XJKSGUPXSA-N 374.535 3.988 0 40 FHAB CCc1nccn1[C@H](C)C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 19666329 JCTLNKAMLNEGKQ-GFCCVEGCSA-N 368.462 3.704 0 40 FHAB O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccc(Cl)c2cccnc12 19683040 FYEOBHOJMJFOIB-UHFFFAOYSA-N 364.766 3.564 0 40 FHAB CC(C)OC(=O)C1=C(N)S[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 20458746 BSLGUYDUCVWHIZ-LPHOPBHVSA-N 367.470 3.890 0 40 FHAB O=C(COC(=O)c1cncn1-c1ccc(F)cc1)c1ccc(Cl)cc1 21508607 JYKWDJWYJTWJPR-UHFFFAOYSA-N 358.756 3.705 0 40 FHAB C[C@@H](NC(=O)COCc1nc2ccccc2s1)c1ccc(F)cc1F 21917358 UUJYWSKEZRPLBF-LLVKDONJSA-N 362.401 3.969 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)c1cn2c3c(cccc3c1=O)CCC2 22235524 XVIUDLRHSJWSIF-MRXNPFEDSA-N 360.457 3.699 0 40 FHAB CC(C)c1noc(COC(=O)c2ccc(OCc3cscn3)cc2)n1 22751355 DRXFDSSRYAWJST-UHFFFAOYSA-N 359.407 3.586 0 40 FHAB COc1ccc(C)cc1CN1CCN(Cc2cc(-c3ccco3)on2)CC1 22801955 UANSOZSBCVJKIN-UHFFFAOYSA-N 367.449 3.569 0 40 FHAB Cc1cc(C)c(C(=O)Cn2cnc3sc4c(c3c2=O)CCC4)c(C)c1 22985369 KETAQOMNRBXFAD-UHFFFAOYSA-N 352.459 3.755 0 40 FHAB CCN(Cc1ccccc1)C(=O)[C@@H](C)n1nnc(-c2ccc(Cl)cc2)n1 23942220 XVJSLTLSJPPYJX-CQSZACIVSA-N 369.856 3.603 0 40 FHAB Cc1ccc2c(c1)C(=O)C(=O)N2CN(C)Cc1ccc(Cl)c(Cl)c1 24104130 LPUINNZICNSIHA-UHFFFAOYSA-N 363.244 3.921 0 40 FHAB CCOc1ccc(N2CCCN=C2NC(=O)c2ccc(Cl)cc2)cc1 28534940 IBBBPCYPFAANLD-UHFFFAOYSA-N 357.841 3.735 0 40 FHAB C[C@@H]1c2ccsc2CCN1CC(=O)Nc1ccccc1OC(F)F 29194346 RNKDOTAQDUTJLF-LLVKDONJSA-N 352.406 3.907 0 40 FHAB COc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2F)N(C)C)cc1 30020086 RXKUFLLFMNJZTQ-KRWDZBQOSA-N 350.821 3.520 0 40 FHAB C[C@@H](C(=O)N[C@H](c1ccccc1)c1ccccn1)n1cnc2ccccc21 30604266 JOJIXECVGSMCBO-HRAATJIYSA-N 356.429 3.898 0 40 FHAB O=C(CN1C(=O)c2ccccc2C1=O)c1ccc(Oc2ccccc2)cc1 31612197 GYFWBXFFIVOTPE-UHFFFAOYSA-N 357.365 3.958 0 40 FHAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)o2)cc1C 32593682 BRBUBGHHURSOMZ-UHFFFAOYSA-N 355.415 3.982 0 40 FHAB COC(=O)C[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccc(C)cc1 32759942 PUHWKQHJUHVUHL-KRWDZBQOSA-N 354.381 3.650 0 40 FHAB CC(=O)NCCc1ccc(-c2csc(Cc3csc(C)n3)n2)cc1 32825926 DHKQCNCUXQRZQT-UHFFFAOYSA-N 357.504 3.844 0 40 FHAB COc1cc(CNC(=O)CC(F)(F)F)ccc1OCc1ccccc1 32908096 ZGAQXGFDEIADOI-UHFFFAOYSA-N 353.340 3.843 0 40 FHAB O=C(O)c1ccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)cc1 32918507 CRRYKTZLRSKPNR-UHFFFAOYSA-N 371.389 3.992 0 40 FHAB COc1cc(C(=O)NCc2ccc(-n3cccn3)cc2)ccc1OC(C)C 32926377 ZCSCBDPYUHWZCS-UHFFFAOYSA-N 365.433 3.598 0 40 FHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2ccc(F)cc2)CC1 35313151 QJGCSAUREVGEFQ-UHFFFAOYSA-N 355.409 3.692 0 40 FHAB C=Cc1ccc(CSc2nnc3n(C)c(=O)c4sccc4n23)cc1 35529216 QZNOMWXQJOLFKL-UHFFFAOYSA-N 354.460 3.578 0 40 FHAB O=C(CCn1ccc2ccc(F)cc21)NC[C@H]1CCCN2CCCC[C@H]12 36585503 LOCALLAVIUZBAU-IEBWSBKVSA-N 357.473 3.551 0 40 FHAB biogenic O=C(Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccccn1 36679005 GPYIJSZNFKAKTO-UHFFFAOYSA-N 359.433 3.781 0 40 FHAB O=C(c1ccc(F)cc1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 38899671 ORXSHCONHWSIJC-ZDUSSCGKSA-N 357.410 3.957 0 40 FHAB CC(C)c1nc(CN2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)cs1 40120368 AQTJPGNNDVREHV-IBGZPJMESA-N 369.534 3.816 0 40 FHAB O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)[C@H]1CCCc2ccccc21 40122155 QWXBJTAHHBNSLT-SFTDATJTSA-N 362.473 3.586 0 40 FHAB Cn1nc(C(C)(C)C)cc1-c1nn2c(-c3ccccc3F)nnc2s1 40284045 RBRASSXWIJVXOY-UHFFFAOYSA-N 356.430 3.690 0 40 FHAB CCc1cccc(C)c1NC(=O)COc1cc(C)nc(N2CCCCC2)n1 44168225 HZBISXYGPOJLJH-UHFFFAOYSA-N 368.481 3.664 0 40 FHAB CCC(=O)Nc1ccc(C)c(NC(=O)N[C@@H]2CCOc3ccccc32)c1 48256991 KZEOENIOTRMYCH-MRXNPFEDSA-N 353.422 3.989 0 40 FHAB Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(C)c(F)c3)CCC2)cc1 48355153 OBCNRHQZPUYXQA-UHFFFAOYSA-N 361.438 3.778 0 40 FHAB O=C(CCC(=O)c1ccc(F)cc1F)Nc1ccc(N2CCCC2=O)cc1 48678172 UCVXGSJVYSBFRS-UHFFFAOYSA-N 372.371 3.693 0 40 FHAB O=C(CNCc1cccc(OCc2ccccn2)c1)Nc1cccc(F)c1 51188774 JMOXBYOTHJUWOR-UHFFFAOYSA-N 365.408 3.528 0 40 FHAB Cc1nccn1-c1ccccc1CNC(=O)c1ccccc1OC(F)F 58005327 ZIUYGPMKLQZHJY-UHFFFAOYSA-N 357.360 3.712 0 40 FHAB CC[C@H](CO)Nc1nc(C(F)(F)F)nc2ccc(Br)cc12 68621475 YSHSWTYTBDVHLM-MRVPVSSYSA-N 364.165 3.594 0 40 FHAB COCCn1ncc2ccc(NC(=O)c3nc(Cl)ccc3Cl)cc21 70773314 VHLCKYLNOMOEHK-UHFFFAOYSA-N 365.220 3.637 0 40 FHAB O=C(NCc1cccc2ccccc12)NC[C@](O)(c1ccccc1)C1CC1 70969597 CIHVVCWQXHJNDT-QHCPKHFHSA-N 360.457 3.937 0 40 FHAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)C1(c2cccc(F)c2)CCCC1 72011841 INKDQEPSBJADGD-SFHVURJKSA-N 357.429 3.652 0 40 FHAB Cc1ccccc1-c1n[nH]c(S[C@H](C)C(=O)Nc2nc(C)c(C)s2)n1 72191814 PRRNHFULKLUVCF-GFCCVEGCSA-N 373.507 3.973 0 40 FHAB COC(=O)c1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CN)C=C3C)nc2c1 72321012 LFELCBRJUYDDOA-ULQDDVLXSA-N 355.482 3.705 0 40 FHAB biogenic,in-vitro COc1ccc2[nH]c3c(c2c1)CN(C(=O)Cn1ccc2ccccc21)CC3 72325049 WQFQJPMJFUYZML-UHFFFAOYSA-N 359.429 3.716 0 40 FHAB biogenic Cc1nn(-c2ccc(NC(=O)c3ccc(Cl)nc3)cn2)c(C)c1Cl 72403345 UTKJSXXRBKCSIF-UHFFFAOYSA-N 362.220 3.838 0 40 FHAB C[C@@H](C(=O)NCc1cccs1)[S@](=O)Cc1cccc2ccccc12 75495966 AHHPWPDNADQRJZ-BSEYFRJRSA-N 357.500 3.855 0 40 FHAB Cc1ccc(C(=O)NCCc2ccc(Cl)s2)c(Br)n1 89626723 FGYIFNGJGZWTFF-UHFFFAOYSA-N 359.676 3.840 0 40 FHAB COc1cccc(CCC(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)c1 94123726 YDLZVKQGHRFKST-UHFFFAOYSA-N 361.482 3.645 0 40 FHAB CC(C)COC1CCN(c2ccnc(C(=O)NCc3ccccc3)c2)CC1 95958639 UZFPYIOTWMWTCB-UHFFFAOYSA-N 367.493 3.653 0 40 FHAB Cc1ccc(Cn2nc(C)c(NS(=O)(=O)c3cccc(F)c3)c2C)cc1 96286891 BDZQPEPXFFNKAL-UHFFFAOYSA-N 373.453 3.797 0 40 FHAB CCCC[C@]12Oc3c(OC)ccc4c3[C@@]13CCN(C)[C@H](C4)C3=CC=C2OC 96316391 VIVDQLUAHPGFOS-MQNAVGNWSA-N 367.489 3.985 0 40 FHAB biogenic,in-vitro CC1CCC(N2C[C@@H](C(=O)Nc3ccc(-c4cnco4)cc3)CC2=O)CC1 108965200 XJMQLDSZQDIHAT-HQVVEAJESA-N 367.449 3.707 0 40 FHAB CC[C@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1)c1ccc(C)cc1 222482834 NJNRWQYPYXFSTK-SFHVURJKSA-N 374.506 3.580 0 40 FHAB CSc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1NC(C)=O 223213341 MTUXSNKDMYYRKI-UHFFFAOYSA-N 364.492 3.785 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 223686072 BIBNYCURWMOOOE-MRXNPFEDSA-N 372.896 3.826 0 40 FHAB COc1ccc(OCCNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 224285422 DWUNFYIYCBSYMD-INIZCTEOSA-N 365.429 3.811 0 40 FHAB CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc2c(c1)OCCO2 224832837 YFSZYCRMXLUQSD-UHFFFAOYSA-N 367.854 3.635 0 40 FHAB CCc1ccc(OCCNC(=O)CCCc2nc3ccccc3o2)cc1 224951454 IKEYFFCCZNYIFI-UHFFFAOYSA-N 352.434 3.908 0 40 FHAB COC(=O)c1ccc(C)c(NC(=S)NC2(c3ccncc3)CCCC2)c1 225856287 CYAMTVJOPKVSHZ-UHFFFAOYSA-N 369.490 3.933 0 40 FHAB O=C1C[C@]2(CC[C@H]3[C@H]2[C@@H]3C(=O)NC2CCCC2)Oc2ccc(Cl)cc21 248006875 UESWYPBEAXCAOH-ULLKRIBWSA-N 359.853 3.759 0 40 FHAB COc1ccc(C2(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)CCOCC2)cc1 248250108 LPKCUCYVEZYXSX-YLAKUSLOSA-N 357.494 3.684 0 40 FHAB Cn1nccc1C(=O)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257297084 RFTKSDMUOOZJGI-INIZCTEOSA-N 370.840 3.630 0 40 FHAB O=C(O)CN(CCCc1ccccc1)C1CCN(c2cccc(F)c2)CC1 257311449 UJNHMFMTYCMASE-UHFFFAOYSA-N 370.468 3.814 0 40 FHAB CCOc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(C)=O)ccc1O 257325196 WRXHMCKWYYVCHM-OXVRBNNJSA-N 373.493 3.809 0 40 FHAB COc1ccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 408713321 SMCRHCHXCQRFHP-UHFFFAOYSA-N 363.826 3.540 0 40 FHAB Cc1csc([C@@H]2COCCN2C(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)n1 529084065 WACGYGWNBYBHPN-BBWFWOEESA-N 360.454 3.684 0 40 FHAB Cc1cc(NC(=O)N2C[C@H](C)C[C@@H]2c2ccccc2)ccc1-n1cnnn1 554380532 IOCVCPPTWIOSRT-AUUYWEPGSA-N 362.437 3.586 0 40 FHAB COc1cc(NC(=O)N2CCOC[C@@H]2CC(C)C)cc(Cl)c1OC 650375693 RVEFGCOEITWLEE-ZDUSSCGKSA-N 356.850 3.636 0 40 FHAB CC(C)Cn1cc(Nc2ccc3nnc(-c4ccc(F)cc4)n3n2)cn1 1559120643 FQLVXJHBTTUXIA-UHFFFAOYSA-N 351.389 3.527 0 40 FHAB Cc1cccc([C@H](CN(C)C)NC(=O)/C=C/c2ccc3ccccc3n2)c1 1776004488 SFIJITRIUCIHAE-TWLJRWAQSA-N 359.473 3.976 0 40 FHAB Cc1cccc(NC(=O)CN2CCC(O)(c3ccc(Cl)cc3)CC2)c1 2087083569 TXCSMLQTAHOJTH-UHFFFAOYSA-N 358.869 3.571 0 40 FHAB CC(=O)c1ccccc1OC[C@H](O)Cn1c(C(C)C)nc2ccccc21 810218 AKRJSLBYMTUSRP-MRXNPFEDSA-N 352.434 3.802 0 40 FHAB CCCCOC(=O)c1ccc(OC(=O)c2cc3ccccc3oc2=O)cc1 1774172 YYOVBEFGZZLKFS-UHFFFAOYSA-N 366.369 3.969 0 40 FHAB biogenic Cc1ccc(NC(=O)COC(=O)c2ccc(Br)cc2)c(C)c1 1993312 GQSDEDQZIDFTJO-UHFFFAOYSA-N 362.223 3.861 0 40 FHAB CCOC(=O)[C@@H](OC(=O)Nc1cccc(C(F)(F)F)c1)C(F)(F)F 2299145 LTBIRRNGZOLSPF-SECBINFHSA-N 359.222 3.748 0 40 FHAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N)cc1 2445502 LHOBDYACORILPR-UHFFFAOYSA-N 367.478 3.513 0 40 FHAB Cc1cccn2c(=O)c3cc(C(=O)Nc4ccc(F)cc4F)sc3nc12 2466927 DVJFAUMCUAQGDL-UHFFFAOYSA-N 371.368 3.748 0 40 FHAB CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(F)cc3)ccc12 2627553 LRRFROMVOAGEDC-UHFFFAOYSA-N 355.365 3.902 0 40 FHAB COc1ccc(CCNC(=O)/C=C/c2ccc(Br)cc2)cc1 2734058 GEJMUFGCOQEPQA-IZZDOVSWSA-N 360.251 3.830 0 40 FHAB CC(=O)c1ccc(NC(=O)COC(=O)c2cc(C)nc3ccccc23)cc1 2746256 HEQOKCWXQXZACT-UHFFFAOYSA-N 362.385 3.541 0 40 FHAB O=C(CSc1cccc[n+]1[O-])Nc1cc(C(F)(F)F)ccc1Cl 3224030 PBIRIYBZKVABTP-UHFFFAOYSA-N 362.760 3.723 0 40 FHAB C[C@@H]1CCc2c(C(=O)Nc3ccc(N4CCOCC4)cc3)csc2C1 3325129 KEEDCRXZCNQKQQ-CQSZACIVSA-N 356.491 3.962 0 40 FHAB Cc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1-c1ccccc1 3409938 PLCBFJCGTTUMSI-CQSZACIVSA-N 352.463 3.545 0 40 FHAB Cc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1Cc1ccccc1 3411517 BEMNUKMVZQIFBO-OAHLLOKOSA-N 366.490 3.604 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1N1CCOCC1 3560495 CVOOQDOSLNPFGL-AWEZNQCLSA-N 360.841 3.583 0 40 FHAB O=C1O[C@@H](c2nn(-c3ccccc3)c(=O)c3ccccc23)c2ccccc21 3845516 VODMQULNJKORTP-HXUWFJFHSA-N 354.365 3.646 0 40 FHAB biogenic COc1cc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc(OC)c1OC 4173345 YGDHXJIUOOGWBP-NEPJUHHUSA-N 361.360 3.563 0 40 FHAB COc1ccc(NC(=O)CSc2nc3ccccc3nc2C)c(OC)c1 4303502 TUURJXAMFBZVIJ-UHFFFAOYSA-N 369.446 3.686 0 40 FHAB COc1ccc(-c2nnc3sc(-c4ccccc4F)nn23)cc1OC 4511707 FNPANXRBSZUFOQ-UHFFFAOYSA-N 356.382 3.676 0 40 FHAB Cc1ccc2c(c1)cc(C(=O)N1CCN(c3ccc(F)cc3)CC1)n2C 4711992 WHRHFAGRDFCSGC-UHFFFAOYSA-N 351.425 3.588 0 40 FHAB CCCN1C(=O)c2ccccc2N(CCCN(C)C)C(=O)c2ccccc21 5430869 OMLMHIGHDVQDRW-UHFFFAOYSA-N 365.477 3.655 0 40 FHAB COc1ccccc1-c1nn2c(-c3cc(-c4ccccc4)n[nH]3)nnc2s1 5455666 LGCZIFGXORAMCG-UHFFFAOYSA-N 374.429 3.919 0 40 FHAB CCCC[C@](C)(O)C/C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 5514860 CNWGPXZGIIOYDL-OWHGPDNUSA-N 368.514 3.865 0 40 FHAB COc1ccccc1CN1C(=S)NC2(CCCCC2)[C@@H]2CCCC[C@@]21O 5515096 LUHWLWQMBLLLGE-GHTZIAJQSA-N 374.550 3.967 0 40 FHAB C[C@H](OC(=O)c1csc2c1CCCC2)C(=O)N(C)Cc1ccccc1 5968311 MISUCDGPWQXFOX-AWEZNQCLSA-N 357.475 3.831 0 40 FHAB Cc1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1C 6087619 KQXWLZHYZADVDS-UHFFFAOYSA-N 367.474 3.592 0 40 FHAB COc1cccc(/C=C/C(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1 6247962 WOAKRKLBAVCMEV-VMPITWQZSA-N 372.852 3.837 0 40 FHAB CC(C)(C)CC(C)(C)NC[C@@H](O)COc1ccc(Br)cc1 6305984 WEYSCXKLSQCPLC-CQSZACIVSA-N 358.320 3.993 0 40 FHAB CC[C@](C)(C(=O)NC1CCCC1)N(C(=O)c1cccs1)[C@H]1CCCO1 6450072 PYMKJBXFFNQRFU-VQIMIIECSA-N 364.511 3.554 0 40 FHAB C[C@H](CNC(=O)COCc1cc(-c2ccc(F)cc2)on1)c1ccccc1 6876462 LXEGFWFRNXDVET-OAHLLOKOSA-N 368.408 3.917 0 40 FHAB C[C@@H](OC(=O)c1c2c(nc3ccccc13)CCC2)C(=O)N1CCCCCC1 7119904 KXRJJSCACZHVBS-OAHLLOKOSA-N 366.461 3.671 0 40 FHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 7380703 DBANWFFYSVXCKR-HXUWFJFHSA-N 356.441 3.640 0 40 FHAB COc1cc(OC)c(N[C@@H](C)C(=O)NCCc2cccs2)cc1Cl 7744071 FIGMNIRFTQHRKZ-NSHDSACASA-N 368.886 3.578 0 40 FHAB Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)NCc1cccs1 7831256 KMAWOKWMVUGIQR-CYBMUJFWSA-N 370.430 3.573 0 40 FHAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)NCC(C)C 8040809 VNGXYONOLQWCLR-IBGZPJMESA-N 354.450 3.869 0 40 FHAB CC(C)(C)OC(=O)NCc1ccc(C(=O)NCCc2cccc(F)c2)cc1 8051414 OLRZWAFWEKRSPQ-UHFFFAOYSA-N 372.440 3.823 0 40 FHAB CCn1nnnc1NCc1cccc(OC)c1OCc1ccccc1Cl 8340142 ZYDIWVZERIDMAZ-UHFFFAOYSA-N 373.844 3.546 0 40 FHAB CCCOc1ccc(S(=O)(=O)NCc2ccccn2)c2ccccc12 8715878 HCRNNQAEHRFUTI-UHFFFAOYSA-N 356.447 3.502 0 40 FHAB CCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(C)cc3C)ccc21 8840557 MFYCRCVVZCILEU-UHFFFAOYSA-N 372.490 3.793 0 40 FHAB CC(=O)N1CCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2C1 9034845 VCIBZTWXCNHDHU-UHFFFAOYSA-N 362.351 3.862 0 40 FHAB O=C(Cc1cccs1)Nc1nnc(CCCOc2ccccc2)s1 9095434 ABYUZPIPAYZDON-UHFFFAOYSA-N 359.476 3.792 0 40 FHAB CCc1ccc2oc(C(=O)Nc3ccc(OC)cc3OC)cc(=O)c2c1 9194339 AXULSBXYWSUJLI-UHFFFAOYSA-N 353.374 3.625 0 40 FHAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)C(C)(C)C)cc2c1 9266226 DGYJAIUOOBIYMR-UHFFFAOYSA-N 363.461 3.806 0 40 FHAB COc1cc(Cl)c(NCC(=O)N[C@@H]2CCCc3ccccc32)cc1OC 11098532 DPDGTUKZHFWPSA-MRXNPFEDSA-N 374.868 3.963 0 40 FHAB CC1CCC(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)CC1 11240084 CCHWKUCTZXMBIX-UHFFFAOYSA-N 357.479 3.633 0 40 FHAB CC(C)N(C(=O)N[C@@H](c1ccc(F)c(F)c1)c1nccn1C)C(C)C 12114985 APGPUDDBJQAYLW-INIZCTEOSA-N 350.413 3.616 0 40 FHAB O=C(c1ccc(F)cc1)N1CCCc2cc([C@H](O)CN3CCCC3)ccc21 12291338 BKYSWMLEZSHCMW-OAQYLSRUSA-N 368.452 3.548 0 40 FHAB COc1ccc(/C=C2/C(=O)N(C)c3ccc(Br)cc32)cc1O 12549584 GCPCGGCAQBUVAR-NTUHNPAUSA-N 360.207 3.680 0 40 FHAB C[C@@H](OC(=O)c1cc(-c2ccccc2)[nH]n1)C(=O)c1c[nH]c2ccccc12 12560430 SBFZLYFUTXYXRQ-CYBMUJFWSA-N 359.385 3.986 0 40 FHAB O=C(NCc1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 12681722 NRPPLWBPAWJBQJ-SFHVURJKSA-N 352.434 3.895 0 40 FHAB CCCCc1oc2ccccc2c1CN(C)C(=O)CN1CCSC1=O 12756846 VAUJUDUGIQADGF-UHFFFAOYSA-N 360.479 3.903 0 40 FHAB O=C(OCc1nc(-c2ccccc2)no1)c1cccnc1SC(F)F 12789734 BKFCQXSGPYKAAS-UHFFFAOYSA-N 363.345 3.803 0 40 FHAB CC(C)COCCCNC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 12859374 REVVCGVRYODVKC-UHFFFAOYSA-N 364.486 3.755 0 40 FHAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cc2ccccc2o1 12894934 JMKSPXNAULWWDM-ZDUSSCGKSA-N 357.431 3.670 0 40 FHAB Cc1ccc(-c2csc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)n2)cc1 12913932 IOIIQJIHFOFAKD-KRWDZBQOSA-N 364.426 3.839 0 40 FHAB O=C(O)c1cc(S(=O)(=O)Nc2ccc3sccc3c2)ccc1F 13454034 NKOFZGUHGGDYAQ-UHFFFAOYSA-N 351.380 3.539 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)NCCSCc1cccc(C)c1 13856385 FAJVRKVSOTXNIT-MRXNPFEDSA-N 359.491 3.821 0 40 FHAB Cc1ccc(C(=O)Nc2nnc(NC(=S)Nc3ccccc3)s2)cc1 13865476 GGGYKZMLOKUQCE-UHFFFAOYSA-N 369.475 3.908 0 40 FHAB CC(=O)N[C@H](CC(=O)NCC12CC3CC(CC(C3)C1)C2)c1cccs1 14043409 BYYARAAFGRLRIN-VQBCORBOSA-N 360.523 3.648 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCC1CCCCC1 15312713 OCGNONXRLBBCLD-UHFFFAOYSA-N 352.500 3.544 0 40 FHAB Cn1c2c(c(=O)n3c(C(=O)Nc4ccccc4)c4ccccc4c13)CCC2 16740332 FOOHZLVHSFKGNX-UHFFFAOYSA-N 357.413 3.532 0 40 FHAB COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NCc2cnc(C)nc2)cc1OC 19287277 NVDHWQJIGBHMKE-GPHNJDIKSA-N 367.493 3.864 0 40 FHAB COc1ccc(OC)c(C(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)c1 19551018 GJRQJVDPVMKNOL-UHFFFAOYSA-N 365.433 3.600 0 40 FHAB Cc1cc(C)n([C@H](C(=O)N[C@@H](C)c2ccc3c(c2)CCCO3)C(C)C)n1 19572637 CPZFUMGQKVEFBK-JXFKEZNVSA-N 355.482 3.899 0 40 FHAB O=C(C1CCCCC1)N1CCO[C@@H](c2nccnc2-c2cccc(F)c2)C1 19693225 CRZSQTFJMJGHLW-GOSISDBHSA-N 369.440 3.763 0 40 FHAB CCCn1cnc2cc(NC(=O)CC3CCN(C(=O)C(C)C)CC3)ccc21 19748359 WAFZWJZJKNLGQP-UHFFFAOYSA-N 370.497 3.670 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)Nc1noc(-c2ccc(Cl)cc2)n1 21800626 KIMAJQQWXMQHJQ-LLVKDONJSA-N 373.796 3.805 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)NCc1cccc(C(F)(F)F)c1 21972906 UUHSFHBIAKUBJZ-UHFFFAOYSA-N 351.324 3.683 0 40 FHAB CSc1ccc(NC(=O)CCc2c(C)nc3cc(C)nn3c2C)cc1 22068205 WOAPWPUKLPEGEO-UHFFFAOYSA-N 354.479 3.948 0 40 FHAB CCOc1ccc(NC(=O)c2cn(CC)c3ccc(OC)cc3c2=O)cc1 22235830 XKIOUFGNKYXIFD-UHFFFAOYSA-N 366.417 3.681 0 40 FHAB CCOc1ccccc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 24250231 HSBORFJDJZSAPX-UHFFFAOYSA-N 361.341 3.785 0 40 FHAB COc1cccc(CN(C)Cc2cc(Cl)cc3c2OCOC3)c1OC 26330860 UHGZWUNXRRHOAY-UHFFFAOYSA-N 363.841 3.856 0 40 FHAB CCOc1ccc(-c2nonc2NC(=O)COc2ccccc2C)cc1C 27740885 ZJQRSHOWFMIGBB-UHFFFAOYSA-N 367.405 3.770 0 40 FHAB COc1ccccc1C(=O)Nc1ccc(-c2nc3n(n2)CCCCC3)cc1 28527102 BGUBWDJBYZGJSM-UHFFFAOYSA-N 362.433 3.932 0 40 FHAB CC(C)C[C@H](C(=O)NC1CCCCCCC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 28883229 ATHKDBDBTGEMFW-GBESFXJTSA-N 374.525 3.581 0 40 FHAB Cc1cc(CNC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)ccc1F 29774705 BEDZGNAWSRQOKY-UHFFFAOYSA-N 371.408 3.575 0 40 FHAB Cc1ccc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1-n1cccc1 30030583 VENZQKGFPVRNBT-QFIPXVFZSA-N 359.473 3.915 0 40 FHAB Cc1cc(OCC(=O)Nc2ccc3cc[nH]c3c2)c2c(C)cc(=O)oc2c1 32124342 GAHCVILFVLJBHW-UHFFFAOYSA-N 362.385 3.909 0 40 FHAB biogenic COc1cccc(N2C[C@H](C(=O)Nc3cccc4c3CCCC4)CC2=O)c1 32759333 JINIHSGFABYJGQ-MRXNPFEDSA-N 364.445 3.566 0 40 FHAB O=C(Nc1nnc(-c2ccc(Br)o2)o1)c1ccc(F)cc1F 35586417 ORSMQSMUAARWCA-UHFFFAOYSA-N 370.109 3.623 0 40 FHAB O=C(O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 36287672 XIVVLFAUTMRRGK-XCVCLJGOSA-N 371.336 3.604 0 40 FHAB C[C@H]1C[C@H](C)CN(C(=O)c2cc3cc(Br)ccc3oc2=O)C1 36627544 KULZUIWSGLNPRT-QWRGUYRKSA-N 364.239 3.674 0 40 FHAB O=C1/C(=C\c2ccco2)c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 38391548 GUVSZVJMJYPYND-WQRHYEAKSA-N 373.364 3.732 0 40 FHAB COc1ccc([C@H](C)NC(=O)c2ccc3c(O)[nH]c(=S)nc3c2)cc1F 40108636 CEADTNLZMGZATL-VIFPVBQESA-N 373.409 3.637 0 40 FHAB COC(=O)c1ccc(Cn2c(C)cc(=O)c3cc(C(F)(F)F)ccc32)o1 40175542 UKFSONJFLPZKFZ-UHFFFAOYSA-N 365.307 3.757 0 40 FHAB O=C(Nc1ccccn1)c1cc(=O)c(OCc2ccc(Cl)cc2)co1 40288182 PRDXLASJXODHGN-UHFFFAOYSA-N 356.765 3.520 0 40 FHAB CC(C)(C)[C@@H](NC(=O)Nc1ccc(-n2cnnn2)cc1)c1cccs1 48290515 JKFTUPIKLWJLOO-HNNXBMFYSA-N 356.455 3.633 0 40 FHAB O=C(c1cncc(Br)c1)N1CCC(Nc2ccccc2)CC1 48291863 WJQNDGWQXVIOMY-UHFFFAOYSA-N 360.255 3.561 0 40 FHAB COc1ccc(NC(=O)c2ccc(CSc3nccn3C)o2)cc1F 53819689 QAHVBROJQADMDQ-UHFFFAOYSA-N 361.398 3.705 0 40 FHAB Cc1c(Br)cc2c(c1C)OC[C@H](N1CCC[C@H](C)C1)C2=O 55125464 JIVMRPJEBPXDAA-BONVTDFDSA-N 352.272 3.742 0 40 FHAB C[C@@H](NC(=O)c1csc(-c2cccs2)n1)c1ccc2c(c1)CC(=O)N2 58379135 BYGMWUYIZHHVQA-SNVBAGLBSA-N 369.471 3.857 0 40 FHAB Cc1nnc(NC(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)s1 58516907 DILCONNNBGBSRQ-LBPRGKRZSA-N 354.382 3.647 0 40 FHAB Cc1ccc([C@@H](C)N(C)C(=O)NCc2ccccc2N2CCOCC2)s1 62560435 IEPXNXGRRPRQNN-MRXNPFEDSA-N 373.522 3.796 0 40 FHAB CCCCOc1ccccc1/C=C/C(=O)Nc1nc(CC(=O)O)cs1 62714961 NEFFCJWJGHLDKD-CMDGGOBGSA-N 360.435 3.601 0 40 FHAB CC[C@@H](C)n1c(SCC(=O)Nc2ccccc2)nc2cc(C)[nH]c2c1=O 67238946 IDUOPYBIUUGYTJ-CYBMUJFWSA-N 370.478 3.735 0 40 FHAB O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1ccc(Cl)cc1 71281140 MFVHOEONGGLHNI-UHFFFAOYSA-N 374.227 3.856 0 40 FHAB Cc1ccc(Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)c(C)c1 71327719 DPZLBAYRWFZRQK-UHFFFAOYSA-N 366.442 3.531 0 40 FHAB Clc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccccn3)n2)c1 72322129 LCNVGCRORHUGPD-SFHVURJKSA-N 354.841 3.699 0 40 FHAB biogenic,in-vitro CCOC(=O)[C@@H]1C[C@H]2CC[C@]1(C)C[C@]21NC(=O)c2cc(Cl)ccc2N1 72327366 OZSYVNDSCSKJEF-CLMKHAMHSA-N 362.857 3.581 0 40 FHAB CCn1ccnc1CN1CCC[C@H]1c1cncc(Oc2ccc(F)cc2)n1 72384467 BIJCXASHCJAXAF-SFHVURJKSA-N 367.428 3.962 0 40 FHAB O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(N2CCCCC2)cc1 81931836 HHQOTYSMTZDPSV-UHFFFAOYSA-N 360.461 3.793 0 40 FHAB CN(C)C1(CNC(=O)Nc2cccc(COCc3ccco3)c2)CCCC1 83847859 IVMNJVRBGAPEDU-UHFFFAOYSA-N 371.481 3.992 0 40 FHAB O=C(NCc1csc2ccccc12)NC[C@H]1COc2ccccc2O1 84593143 VXXFTWBIYVMRKI-AWEZNQCLSA-N 354.431 3.541 0 40 FHAB O=C(N[C@@H](CO)c1ccccc1)c1cc2cc(Br)ccc2o1 95456340 RSQOIMGDRYSERJ-AWEZNQCLSA-N 360.207 3.659 0 40 FHAB O=C(NCCN[C@H]1CC2(CCCC2)Oc2ccccc21)c1ccccc1 95967499 VNMWQKAXNSMDIZ-IBGZPJMESA-N 350.462 3.843 0 40 FHAB CCOC[C@@H]1CC2(CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)CO1 96105930 BCGFGMJLXREBBO-AWEZNQCLSA-N 355.837 3.527 0 40 FHAB Cc1cccc(NS(=O)(=O)c2ccc(Br)cc2F)c1F 96170989 GKWNLGGZLDCYPE-UHFFFAOYSA-N 362.195 3.837 0 40 FHAB c1ccc2c(c1)[C@@H](N[C@H]1CCOC1)CC21CCN(Cc2nccs2)CC1 96241489 YZYFEDWDMSHYBV-LPHOPBHVSA-N 369.534 3.500 0 40 FHAB Fc1cccc(-c2ccc3c([C@H]4CCCN4c4ncccn4)nnn3c2)c1 96267899 ODPQLXPINMTXLY-QGZVFWFLSA-N 360.396 3.667 0 40 FHAB CC[C@H](C)NC(=O)[C@H]1C[C@@H](C)N(Cc2nc(C3CC3)no2)c2ccccc21 106170941 ZEBMNEPNJYPDPU-VBQJREDUSA-N 368.481 3.744 0 40 FHAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl 222483128 SITYOCBQKFLKOA-MRXNPFEDSA-N 372.896 3.744 0 40 FHAB COc1ccc(CNC(=O)COc2ccccc2C(C)C)c(OC)c1OC 222808177 AQSGCQWMBSVBCI-UHFFFAOYSA-N 373.449 3.531 0 40 FHAB CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C 223484032 QLLIVIAQYPMIQQ-LJQANCHMSA-N 356.441 3.688 0 40 FHAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCOc1cccc(OC)c1 224441627 YOUFOKUVAZIPTQ-KRWDZBQOSA-N 363.841 3.701 0 40 FHAB COc1ccc(CCC(=O)NCc2ccccc2-n2ccnc2C)cc1C 224703725 XWRYPWPFQADUSC-UHFFFAOYSA-N 363.461 3.747 0 40 FHAB O=C(O)c1cc(Cl)c(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 226354494 SQFVZTOFMKDGKM-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB C[C@H](NC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccc2c(c1)CCCO2 248252262 MQRBZZIOSNFXQY-NFJMJWFLSA-N 355.478 3.520 0 40 FHAB CC(C)(C)CC(=O)N1CCO[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257211691 BZYOBBDFSSFRIP-KRWDZBQOSA-N 360.429 3.741 0 40 FHAB CC1(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(Cn5cccn5)cc4)OCC[C@@]3(C2)[C@@H]1O 257260894 LEYDQJIJOCBYIC-DOSYZEEDSA-N 352.478 3.806 0 40 FHAB c1ccc(-c2ccc3c([C@@H]4CN(Cc5ccco5)CCO4)nnn3c2)cc1 306137023 QJGUYWSCZQYZIL-FQEVSTJZSA-N 360.417 3.563 0 40 FHAB COc1ccc(-c2[nH]c(=Nc3ccccc3)sc2CC(=O)O)c(OC)c1 408893667 GOXLBPIGDPBGPF-UHFFFAOYSA-N 370.430 3.620 0 40 FHAB COc1ccc([C@H](CN(C)C)NCc2cccc3c2OC(C)(C)C3)cc1 585081275 ORHGAGZUSKHSNT-FQEVSTJZSA-N 354.494 3.801 0 40 FHAB Cc1sc2ncnc(N3CC[C@@](CO)(Cc4ccc(F)cc4)C3)c2c1C 585083505 XLGYPXBJINJVEC-HXUWFJFHSA-N 371.481 3.879 0 40 FHAB COc1cc(F)c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c(F)c1 588625827 ONNXLZSWCGUHQY-UHFFFAOYSA-N 351.733 3.567 0 40 FHAB O=C(NCC1(CF)CCOCC1)N1CCC[C@H](c2ccc(F)c(F)c2)C1 624157669 WUOKPQJNWZOTMV-HNNXBMFYSA-N 370.415 3.620 0 40 FHAB CC(C)C[C@@H](C(=O)N[C@@H](CC(F)(F)F)C(=O)O)c1ccc(Cl)cc1 659150774 GBEAWMNFOBRIMW-OLZOCXBDSA-N 365.779 3.992 0 40 FHAB CC(C)Cn1ccc2c(C(=O)N3CCN(c4ccncc4)CC3)cccc21 683578647 LBALJOHROMUYDK-UHFFFAOYSA-N 362.477 3.655 0 40 FHAB Brc1ccccc1CN1CCC[C@H](COc2ncccn2)C1 1775996200 ZZGITAJLJSQXBI-AWEZNQCLSA-N 362.271 3.530 0 40 FHAB Fc1ccc(N2CCOC[C@H]3CN(Cc4ccccc4F)CC[C@@H]32)cc1 2037980706 FSZCMDJGGCDELT-UTKZUKDTSA-N 358.432 3.692 0 40 FHAB O=C(Cc1ccccc1C(=O)O)Nc1cc(C(=O)O)c(Cl)cc1Cl 71286410 SOBCVODSPJPMGK-UHFFFAOYSA-N 368.172 3.571 0 40 FHAB COc1cccc(CNC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)c1 47727784 YORTVERKEMBBQR-UHFFFAOYSA-N 373.840 3.563 0 40 FHAB CCOC(=O)CSc1nnc(Cc2ccccc2)n1Cc1ccccc1 925208 UTGADLUSMDNBBT-UHFFFAOYSA-N 367.474 3.572 0 40 FHAB CNc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cs1 1354451 JIXVTFLXORCMTL-UHFFFAOYSA-N 371.487 3.603 0 40 FHAB CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccc(N(C)C)cc1 1678313 WXSRHYWHKVWNGE-UHFFFAOYSA-N 370.449 3.785 0 40 FHAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)o2)cc1 4902589 DTIISQYNKMFYQQ-UHFFFAOYSA-N 367.430 3.978 0 40 FHAB COc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc(N)c2)cc1 7468354 PETQCCNYXXWCCM-UHFFFAOYSA-N 361.401 3.782 0 40 FHAB Cc1ccc(N2CCN(c3nc4ccccc4c4nnc(C)n34)CC2)c(C)c1 7500018 FIXLRABPKDJWGW-UHFFFAOYSA-N 372.476 3.529 0 40 FHAB CC(=O)Nc1ccccc1OCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 7750933 DJLKAAGKTXIKLU-HNNXBMFYSA-N 366.461 3.780 0 40 FHAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 7882077 VTNDVRGKEMGRFI-NVXWUHKLSA-N 352.434 3.634 0 40 FHAB CCc1cc(OC(=O)CCN2C(=O)COc3ccccc32)ccc1Cl 26364868 SLRDGOHKWAWGCP-UHFFFAOYSA-N 359.809 3.624 0 40 FHAB O=C(Nc1ccc(Cl)cc1Cl)c1c/c(=N/O)c2ccc(O)cc2o1 104294487 IIHBAMOVYVKHJL-MOSHPQCFSA-N 365.172 3.987 0 40 FHAB O=C(CCN1C(=O)S/C(=C/c2ccccc2)C1=O)Nc1ccccc1 1746654 RPWQLZLKJWFUPG-DTQAZKPQSA-N 352.415 3.752 0 40 FHAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(N(C)C)cc3)n[nH]2)cc1 51315434 SPIYBRHXPRNWPU-UHFFFAOYSA-N 350.422 3.794 0 40 FHAB Cc1cc(C(=O)NCc2nc(-c3cccs3)no2)c2ccc(F)cc2n1 58218039 RFBPPZFEPUBHCH-UHFFFAOYSA-N 368.393 3.724 0 40 FHAB CCCc1ncc(CN2[C@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)cn1 100763694 FINSJTIXVISNCP-OALUTQOASA-N 355.457 3.583 0 40 FHAB C[C@@H](CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 9232488 FUQZENPRYQCUAT-LBPRGKRZSA-N 350.340 3.564 0 40 FHAB Clc1ccc(-n2ncc3c(NC[C@H]4CCCO4)ncnc32)cc1Cl 10386443 ABMSJRWWMTYFBZ-LLVKDONJSA-N 364.236 3.713 0 40 FHAB O=C(CN1CCCCCCC1=O)Nc1cnccc1Oc1ccccc1 58365877 WJHSRRBSLHBDCY-UHFFFAOYSA-N 353.422 3.605 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CCCC2)cc1 10429751 HIDGHWGERZAYSL-HXUWFJFHSA-N 365.477 3.680 0 40 FHAB Cc1cc(-c2csc(-c3cccc(C(=O)O)c3)n2)c(C)n1-c1ncn[nH]1 58474352 NYCQDSBPUKRMMT-UHFFFAOYSA-N 365.418 3.701 0 40 FHAB COc1cccc(-c2nc(N3C[C@@H](C)O[C@H](C)C3)c3ccccc3n2)c1O 2235904 QIRDYARJEYCALQ-ZIAGYGMSSA-N 365.433 3.625 0 40 FHAB O=S1(=O)CC[C@H](NCc2ccc(-c3cccc(Cl)c3Cl)o2)C1 27663808 LZZDVEUFHCROEE-JTQLQIEISA-N 360.262 3.530 0 40 FHAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@H]2CN(O)C[C@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100367391 LBABUPQHIRDXKV-JBTHVSLGSA-N 361.526 3.960 0 40 FHAB CC(=O)N[C@H](CC(=O)N1CCc2sccc2C1)c1ccc(Cl)cc1 10923628 FIPOQMPIJCZNHZ-MRXNPFEDSA-N 362.882 3.554 0 40 FHAB O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccc2c(c1)CCC2 2643383 VOZCZLRJRYYHOZ-UHFFFAOYSA-N 350.447 3.691 0 40 FHAB CCOc1ccc(C(=O)Nc2nnc(-c3ccncc3)s2)cc1OCC 28221425 DWYTWZOKCYSBKR-UHFFFAOYSA-N 370.434 3.650 0 40 FHAB O=C(NCc1cc(-c2ccccc2)no1)N1CCC[C@@H](C(F)(F)F)C1 47084024 BIXGNZQAQHLPJW-CYBMUJFWSA-N 353.344 3.826 0 40 FHAB Cc1cc(C)c(S(=O)(=O)NCc2cccc(CN3CCCC3)c2)c(C)c1 26842945 RZJSVFCCHIWMCB-UHFFFAOYSA-N 372.534 3.686 0 40 FHAB Fc1ccc([C@H]2C[C@H](c3cccc(Br)c3)Nc3nnnn32)cc1 2914569 HFGAQXIVYAIPPL-HUUCEWRRSA-N 374.217 3.721 0 40 FHAB C[C@@H](NC(=O)COC(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1 3224857 PIPIXHUUNOVHRC-GFCCVEGCSA-N 367.323 3.619 0 40 FHAB CN(C(=O)COC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 3312907 FNZBPOFAYKTRNG-UHFFFAOYSA-N 368.216 3.578 0 40 FHAB CC(C)Oc1ccccc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 48356143 YHHUABBYIMTDKP-GOSISDBHSA-N 353.466 3.870 0 40 FHAB C[C@H](Sc1nnc(N2CCCC2)n1C1CC1)c1nc(C(C)(C)C)no1 48325929 OKOVQGATKXJEKJ-NSHDSACASA-N 362.503 3.747 0 40 FHAB COc1ccc(CNC(=O)CCC(=O)c2cc(C)sc2C)cc1OC 3457939 RIBNMPZFWNFJIX-UHFFFAOYSA-N 361.463 3.661 0 40 FHAB CC(=O)c1cccc(S(=O)(=O)NCCc2ccc(Cl)cc2Cl)c1 3432650 FNMYDSHGYLHXJK-UHFFFAOYSA-N 372.273 3.717 0 40 FHAB CN(CCc1ccccn1)C(=O)c1cc2cc(Br)ccc2o1 63682967 UKHJPCZFGPGXES-UHFFFAOYSA-N 359.223 3.905 0 40 FHAB O=C(NCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc2ncccc12 13624249 MSZJRXNTYROFGI-UHFFFAOYSA-N 374.227 3.797 0 40 FHAB COc1ccc(Cc2nn3c(-c4cc5ccccc5[nH]4)nnc3s2)cc1 13724517 CIQIFZMDFQGLIJ-UHFFFAOYSA-N 361.430 3.934 0 40 FHAB Sc1nnc(-c2ccc3ccccc3n2)n1Cc1ccc2c(c1)OCO2 13722637 QCLWWLJGVMNSQD-UHFFFAOYSA-N 362.414 3.559 0 40 FHAB O=C1COc2ccc(Br)cc2CN1Cc1ccc(F)cc1F 65184433 ZGDLLTFBCRCUOU-UHFFFAOYSA-N 368.177 3.649 0 40 FHAB COc1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)n[nH]1 5209849 AOOVFUZIGJLBBE-GFCCVEGCSA-N 354.435 3.600 0 40 FHAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)c1cccc2ccccc12 4473526 YTMFSGIQAZVOMD-UHFFFAOYSA-N 357.365 3.721 0 40 FHAB CC(C)(CNc1nc(-c2ccccc2)nc2ccccc12)N1CCOCC1 14199186 SXLREYVBQYHDET-UHFFFAOYSA-N 362.477 3.820 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)CCc2c[nH]c3ccccc23)c1 14185854 WNRLLNGIPYHCDT-AWEZNQCLSA-N 352.434 3.995 0 40 FHAB O=C1Nc2ccccc2/C1=C1/SC(=O)N(Cc2ccccc2Cl)C1=O 4699058 UZOHSFUFNLJEAS-PFONDFGASA-N 370.817 3.899 0 40 FHAB Cc1ccc(-n2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1C 6662887 DTRXVWSIEKOALW-UHFFFAOYSA-N 350.809 3.842 0 40 FHAB O=c1c(Cl)cc(C(F)(F)F)cn1Cc1ccc(-n2cccn2)cc1 14644227 QKBYEWYRUVMLBL-UHFFFAOYSA-N 353.731 3.755 0 40 FHAB CC(C)C(=O)NCCc1nc2ccccc2n1CCCOc1ccccc1 6752629 KTUGAJRIYQDOMT-UHFFFAOYSA-N 365.477 3.820 0 40 FHAB O=C(CNC(=S)NCc1ccccc1)Nc1cc(Cl)ccc1Cl 6859528 ZLYQQQFVEHZDLY-UHFFFAOYSA-N 368.289 3.596 0 40 FHAB Cc1ccc2c(C)nc(Nc3nc(C)c(Cc4ccccc4)c(=O)[nH]3)nc2c1 6813311 USSJAWLKBJKJAA-UHFFFAOYSA-N 371.444 3.973 0 40 FHAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C)c(C)n1Cc1ccco1 4945856 VJCWDIZOTKRBFJ-UHFFFAOYSA-N 370.478 3.727 0 40 FHAB Cn1cccc1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 7088285 RTGFGNFYLSSRIC-HXUWFJFHSA-N 361.401 3.521 0 40 FHAB COc1ccc(C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1F 7274187 ONWCFORTXYFCGS-UHFFFAOYSA-N 367.424 3.909 0 40 FHAB CN(CC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccccc1Cl 7445813 AXEUPANKYLBBJN-UHFFFAOYSA-N 371.868 3.537 0 40 FHAB O=C(NCc1ccc(F)cc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 15961264 LNZUWUFBYHAPLI-INIZCTEOSA-N 374.843 3.648 0 40 FHAB COc1ccccc1CC(=O)Nc1nn2cc(-c3ccccc3)nc2s1 7723862 FQYCMIQJHZQCEK-UHFFFAOYSA-N 364.430 3.648 0 40 FHAB COc1ccc(-c2nn3c(Cc4ccccc4F)nnc3s2)cc1OC 19910025 IJPKNEIHKYRVBO-UHFFFAOYSA-N 370.409 3.600 0 40 FHAB COc1ccc([C@H]2S[C@@H](C)C(=O)N2c2ncc(C)s2)cc1OC 19927651 SMVJVJXMONMNQJ-ZUZCIYMTSA-N 350.465 3.636 0 40 FHAB O=C(NCCc1cccc(Cl)c1)c1ccc(CSc2ncn[nH]2)cc1 7984763 KUHIJXALWSHCSE-UHFFFAOYSA-N 372.881 3.723 0 40 FHAB Cc1sc2ncnc(N3CCC(C(=O)Nc4ccccn4)CC3)c2c1C 27653951 ONSKOIJMAOBBRJ-UHFFFAOYSA-N 367.478 3.558 0 40 FHAB COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c1 8058853 BZQJCZYHSRLCIL-SFHVURJKSA-N 361.463 3.538 0 40 FHAB Cc1ccc(NC(=S)NC(=O)c2ccc3nsnc3c2)cc1Cl 21596091 UJAVYDGTDWUHFB-UHFFFAOYSA-N 362.867 3.780 0 40 FHAB CCCCOc1ccc(S(=O)(=O)NCc2ccccn2)cc1C(C)C 69511202 JBMMARHZKOBVJN-UHFFFAOYSA-N 362.495 3.862 0 40 FHAB Cc1[nH]c(SCc2nc3ccccc3c(=O)[nH]2)nc1Cc1ccccc1 8569044 MQFOCKLAQVFUBZ-UHFFFAOYSA-N 362.458 3.838 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)Cn2ccnc2-c2cccs2)c1C 95990764 GGRAIJDCRFIQHA-UHFFFAOYSA-N 357.435 3.616 0 40 FHAB CCCN(CC(=O)Nc1ccccc1OC)C(=O)N1[C@@H](C)CCC[C@H]1C 92320143 LNJWCLHJGMYYRA-IYBDPMFKSA-N 361.486 3.729 0 40 FHAB CC(=O)Nc1ccc(SCC(=O)N[C@@H](C)c2ccc(F)cc2F)cc1 8705664 YGBOWTKBWMZCSJ-NSHDSACASA-N 364.417 3.893 0 40 FHAB COc1ccc(-c2n[nH]cc2CN2CCCC[C@@H](N3CCCC3)C2)cc1 92785878 VHSURMPIPXHJHP-LJQANCHMSA-N 354.498 3.536 0 40 FHAB O=C(NCc1sccc1Br)N1CCC[C@@H]1c1ccncc1 84615130 ICSIZMSBINHQRR-CYBMUJFWSA-N 366.284 3.952 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@@H]3CCCC[C@@H]3O)cc12 89568272 CXTKCMVMSVIXIS-CVEARBPZSA-N 373.453 3.568 0 40 FHAB CCOCCn1c([C@@H]2CC(=O)N(c3cccc(C)c3)C2)nc2ccccc21 27792570 XAPOPQJFWPMMCH-QGZVFWFLSA-N 363.461 3.902 0 40 FHAB CCN1C(=O)/C(=C\c2ccc(OCC(=O)O)c(Cl)c2)c2ccccc21 409133423 MKLOWOLKIPUUCO-ZROIWOOFSA-N 357.793 3.711 0 40 FHAB CC(C)c1noc2nc(-c3ccc4c(c3)OCCCO4)cc(C(=O)O)c12 62710609 VMRDVTMLJUUGRY-UHFFFAOYSA-N 354.362 3.873 0 40 FHAB Cc1csc([C@@H]2COCCN2C(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)n1 529084067 WACGYGWNBYBHPN-ULQDDVLXSA-N 360.454 3.684 0 40 FHAB COc1ccccc1NC(=O)Cn1c(=O)cc(C)c2cc(C)cc(C)c21 32530651 QRXZCLDTHIRKCP-UHFFFAOYSA-N 350.418 3.574 0 40 FHAB COc1cccc(O[C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 219305504 HIBVMXUQKQFBIR-KBXCAEBGSA-N 355.434 3.881 0 40 FHAB c1cn2c(NCc3ccc4c(c3)OCO4)c(-c3ccsc3)nc2cn1 72341914 MOSUWHRBKZXIAA-UHFFFAOYSA-N 350.403 3.799 0 40 FHAB CCCOc1ccc(-c2nc(NC(=O)COc3cccc(C)c3)no2)cc1 32623308 NNPHKAVMOPBBCT-UHFFFAOYSA-N 367.405 3.851 0 40 FHAB CC(C)Oc1ccccc1C(=O)N(C)Cc1nc(-c2cccs2)no1 78579848 PMGHSJISGYUYHT-UHFFFAOYSA-N 357.435 3.858 0 40 FHAB CC1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccccc1C(F)(F)F 71979931 UPRQJCHOZZPTTJ-CHHLVHLRSA-N 371.355 3.537 0 40 FHAB CCc1nnc(S/C(=C\c2ccc(N3CCCCCC3)o2)C(=O)O)o1 211525446 GHOQMXQRHAPNMV-QBFSEMIESA-N 363.439 3.823 0 40 FHAB CC1CCN(c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2N)CC1 226262476 RJHZRBXWYVDHNB-UHFFFAOYSA-N 350.677 3.814 0 40 FHAB Cn1c(/C=C2/SCCN2C(=O)COc2ccccc2)nc2ccccc21 225235778 XAXOZWYLSPANLL-DEDYPNTBSA-N 365.458 3.526 0 40 FHAB Cn1c(/C=C2/SCCN2C(=O)c2ccc(F)cc2)nc2ccccc21 225237450 PZXIYBFNZMEQJZ-LDADJPATSA-N 353.422 3.900 0 40 FHAB Cc1cc(NC(=S)NCCCc2ccco2)ccc1N1CCCC1=O 225805593 JOQSUFYAJXKYJF-UHFFFAOYSA-N 357.479 3.634 0 40 FHAB CCCO[C@](C)(C(=O)Nc1ccc(OCCN(CC)CC)cc1)C1CC1 225671738 VGUIUPLDTLZYSD-NRFANRHFSA-N 362.514 3.941 0 40 FHAB CCCCOc1ccc(NC(=O)C(C)(C)Br)cc1C(=O)OC 225786290 ZLZKFBZGAWQSPU-UHFFFAOYSA-N 372.259 3.764 0 40 FHAB COc1cc(OC)cc(C(=O)N2CCS/C2=C/c2csc(C)n2)c1 225258650 CQTPEZNBHZGTAO-LZYBPNLTSA-N 362.476 3.656 0 40 FHAB COc1cccc(OCCNC(=O)CCCc2nc3cc(C)ccc3o2)c1 224950027 DZGFNRPLLHKGFD-UHFFFAOYSA-N 368.433 3.663 0 40 FHAB CC(=O)Nc1cccc(NC(=O)c2cnc(Cc3ccccc3)nc2C)c1 225795419 LMNXAWVKVJWBGW-UHFFFAOYSA-N 360.417 3.587 0 40 FHAB O=C(COc1ccc(F)cc1)NCCSCc1ccccc1Cl 222780138 QYBAUJWSABXSER-UHFFFAOYSA-N 353.846 3.908 0 40 FHAB CN(c1ccc(Cl)c(C(=O)Nc2cccc(Cl)c2)c1)S(C)(=O)=O 222488787 KYCZZXBXVWXVKM-UHFFFAOYSA-N 373.261 3.642 0 40 FHAB CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(F)c1 222750995 JKAOUVSEGKAWDZ-ROUUACIJSA-N 352.438 3.614 0 40 FHAB Cc1nccn1C[C@@H]1CCCN1C(=O)Nc1nc2c(s1)CCC2(C)C 333534122 MRWHBNKEWNSUSF-ZDUSSCGKSA-N 359.499 3.568 0 40 FHAB Cc1csc2ncnc(Nc3ccc(Cc4nnc5n4CCC5)cc3)c12 583611702 IYZNCGMYSAUGDB-UHFFFAOYSA-N 362.462 3.872 0 40 FHAB Cc1nccc(N2CCC[C@H](c3ncc(Cc4ccccc4F)o3)C2)n1 257234475 GTQUBFFJHGDCEZ-INIZCTEOSA-N 352.413 3.887 0 40 FHAB CN1CCCC[C@@H]2N(C(=O)c3cc(-c4cccc(F)c4)no3)CCC[C@@]21C 257307786 TUCYWPRYAVGARI-FPOVZHCZSA-N 371.456 3.960 0 40 FHAB CCCNC(=S)Nc1nc(N2CCCC[C@H]2C)cc(C(F)(F)F)n1 260737394 JQDCLQPLIZKXSP-SNVBAGLBSA-N 361.437 3.571 0 40 FHAB CCCS(=O)(=O)Nc1cccc(NC(=O)N2[C@H](C)CCC2(C)C)c1C 639653038 ZIFGZBBFADCZRE-CYBMUJFWSA-N 367.515 3.942 0 40 FHAB O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CC[C@](O)(C2CC2)C1 1320967014 YGHGMWSRKQSEHW-HSZRJFAPSA-N 373.456 3.526 0 40 FHAB O=C(Nc1ccccc1-c1noc(-c2ncccc2F)n1)c1ccccn1 1615610567 LELQUSINQUWQDV-UHFFFAOYSA-N 361.336 3.585 0 40 FHAB C[C@@H]1CN(C(=O)[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c2cccnc2O1 1616053168 DBVDSIZUSGZHNN-ISTRZQFTSA-N 358.825 3.627 0 40 FHAB Cc1c(Cl)cccc1NC(=O)[C@@H](c1ccccc1)N1CCN(C)CC1 58294806 NYGVMIFJODPQQO-LJQANCHMSA-N 357.885 3.576 0 40 FHAB COCCNc1ccccc1CNC(=O)c1cccc(Cl)c1Cl 79064672 XCYIAUQAUPFRAR-UHFFFAOYSA-N 353.249 3.982 0 40 FHAB Cc1cccc(OCCN(C)C(=O)c2ccc(-c3ccccc3)[nH]c2=O)c1 59251159 GWOZCMQEGCUDHJ-UHFFFAOYSA-N 362.429 3.501 0 40 FHAB CCc1cc2c(=O)n3c(nc2s1)/C(=C\c1ccc(O)c(OC)c1)CC3 96759288 MIYNAQZPLAMKTB-WQLSENKSSA-N 354.431 3.679 0 40 FHAB CCSc1nnc(NS(=O)(=O)c2cc(Cl)ccc2Cl)s1 5392660 JSYOYWSCGYXURI-UHFFFAOYSA-N 370.308 3.758 0 40 FHAB CCCC(=O)N(Cc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 5977895 VCOTYTVSEFJPCU-UHFFFAOYSA-N 369.852 3.905 0 40 FHAB CCCCCCNC(=O)N1CCN(C(=O)NCCCCCC)[C@@H](C)C1 16637964 SAVIHLYIANNRGW-KRWDZBQOSA-N 354.539 3.572 0 40 FHAB CCOc1cccc2sc(NC(=O)Cc3ccc4[nH]cnc4c3)nc12 19662489 JLFAFDQYYSLQEW-UHFFFAOYSA-N 352.419 3.753 0 40 FHAB COc1ccc(/C=C/c2nc(-c3ccc(OC)c(OC)c3)no2)cc1OC 4487180 RPELXESXGMYFQU-UXBLZVDNSA-N 368.389 3.941 0 40 FHAB Cc1nc2ccc(C(=O)NC[C@H](c3ccccc3F)N(C)C)cc2s1 12198522 MTISZTOYLNKJFV-QGZVFWFLSA-N 357.454 3.777 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2csc3c2CCCC3)c1C 5935599 QKZJJQRKPXOAGM-UHFFFAOYSA-N 359.447 3.814 0 40 FHAB CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(-n2cccn2)cc1 8193099 ZZGJTHVKAGWNLX-UHFFFAOYSA-N 360.461 3.745 0 40 FHAB COc1ccc(OCCOC(=O)c2cc3cnn(C(C)C)c3nc2C)cc1 24867544 BUJIZDJIYGGZPX-UHFFFAOYSA-N 369.421 3.565 0 40 FHAB COC(=O)c1ccc(C(=O)NCc2ccnc(-c3cccs3)c2)cc1 238860327 KNRXAYBAPTZHBZ-UHFFFAOYSA-N 352.415 3.527 0 40 FHAB C=CC(=O)Nc1cccc(C(=O)N2CCC[C@H]2COc2ccc(F)cc2)c1 1645644174 VYKMDPCZYSDZBV-SFHVURJKSA-N 368.408 3.634 0 40 FHAB CCn1cc(S(=O)(=O)CC(=O)Nc2ccc(C)cc2C)c2ccccc21 2722206 CXFAXDWGENKKGG-UHFFFAOYSA-N 370.474 3.690 0 40 FHAB CCOc1ccccc1NC(=O)NC[C@H]1CC(=O)N(c2ccc(C)cc2)C1 9040512 NLPYJSNZHCDXBP-MRXNPFEDSA-N 367.449 3.568 0 40 FHAB O=C(CN1C(=O)[C@@H]2CCCC2=Nc2ccccc21)NCCC1=CCCCC1 102301828 XPBXMYPPDHGNFW-QGZVFWFLSA-N 365.477 3.913 0 40 FHAB Cc1csc(SCc2ccc(C(=O)NCCCn3cccn3)cc2)n1 30171809 FNHXHFPRNKTKIK-UHFFFAOYSA-N 372.519 3.760 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CCN[C@]3(C)Cc1ccc(OC)c(OC)c1 20386882 MQXXVBHWDCWVIN-JOCHJYFZSA-N 366.461 3.797 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1noc(-c2ccc(F)cc2)n1 32624316 OLHITPHGGCEKEL-AWEZNQCLSA-N 359.332 3.811 0 40 FHAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1OC 41096734 LNPCDQJBIDZBGV-JTQLQIEISA-N 352.283 3.955 0 40 FHAB O=C(Oc1ccc(Cl)cc1N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccco1 102593069 MMYJFVATTXNYHP-CHWSQXEVSA-N 371.776 3.608 0 40 FHAB CCOC(=O)N(C)c1ccc(NC(=O)c2ccc3c(c2)OCCCO3)cc1 54313033 XGUBNQVPRCWOCQ-UHFFFAOYSA-N 370.405 3.693 0 40 FHAB Cc1noc([C@@H]2CCCN(C(=O)Cc3coc4cc5c(cc34)CCC5)C2)n1 54660581 ASSXDVZFHSLPBS-MRXNPFEDSA-N 365.433 3.562 0 40 FHAB CCOc1ccc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc1OCC 1073150 YNPOHKISBIADLT-SFQUDFHCSA-N 367.401 3.837 0 40 FHAB O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)OCC(F)(F)F 47843684 CJDPOVIWMBNUDK-UHFFFAOYSA-N 351.346 3.514 0 40 FHAB in-vitro CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(N)c1 12569012 UJVCQEOPPBHXDF-JTQLQIEISA-N 364.854 3.828 0 40 FHAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 2940633 KESZUFVGYHAUIF-UHFFFAOYSA-N 371.380 3.816 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2nn(-c3ccccc3)cc2C)c(Cl)c1 106724102 RADYBPRDCRKXSS-UHFFFAOYSA-N 361.854 3.943 0 40 FHAB CCC(CC)C(=O)c1c[nH]c(C(=O)N2CCN(c3ccccc3F)CC2)c1 1403964 XNSFTOQKJHMGFC-UHFFFAOYSA-N 371.456 3.735 0 40 FHAB Cc1ccc(CN(C)C(=O)CSc2nncn2-c2ccccc2)c(C)c1 7371033 RRBLZNLXMBUMFB-UHFFFAOYSA-N 366.490 3.635 0 40 FHAB Cc1ccc(NC(=S)N[C@@H](C)[C@@H](c2ccccc2)N2CCOCC2)cc1 25329505 JTMQPHASPXIUHE-PXNSSMCTSA-N 369.534 3.743 0 40 FHAB Cn1ccnc1SCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 8135358 JWOPXMRMIMTBMO-UHFFFAOYSA-N 366.418 3.553 0 40 FHAB O=C(Nc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1)c1ccccc1 8470057 PHMMCBHHVHJLNR-UHFFFAOYSA-N 360.369 3.889 0 40 FHAB CC(C)C[C@H](CNC(=O)N[C@H](C)c1cc2ccccc2o1)N1CCOCC1 26303977 KIYNBCODIVZGBW-SJLPKXTDSA-N 373.497 3.540 0 40 FHAB Cc1cccc(NC(=O)[C@H](C)ONC(=O)c2cccc(C(F)(F)F)c2)c1 58129165 CLXORDSJFLHRGN-LBPRGKRZSA-N 366.339 3.702 0 40 FHAB Cc1ccc(-c2noc(-c3cccn3CC(=O)NC3CCCC3)n2)cc1 57486867 VPPADWNULFWUSD-UHFFFAOYSA-N 350.422 3.572 0 40 FHAB Nc1ccc(NC(=O)c2ccccc2I)c(Cl)c1 21963332 QCYQPWBKFYCOQR-UHFFFAOYSA-N 372.593 3.779 0 40 FHAB CC(C)c1ccc(/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1 27021514 KDCANHNDDSHDAY-ANMLQGLPSA-N 373.481 3.993 0 40 FHAB CCN(c1ccc(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)cc1)C(C)C 58027811 BIAWSZCAHOPUSZ-UHFFFAOYSA-N 367.371 3.881 0 40 FHAB CCOC(=O)COc1cccc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)c1 58002950 SVUWPMGYHGKATR-CQSZACIVSA-N 359.397 3.601 0 40 FHAB CCOc1cccc(/C=C2\NC(=S)N(c3ccc(C)c(C)c3)C2=O)c1O 9335930 RKDQKULMRAUZBJ-WJDWOHSUSA-N 368.458 3.670 0 40 FHAB O=S(=O)(c1cccc(F)c1)N(CCc1ccccc1)Cc1ccncc1 58175229 NRNHBZXOQRKDMO-UHFFFAOYSA-N 370.449 3.654 0 40 FHAB C[C@@]1(C(=O)OCC(=O)c2ccc(Br)s2)CC1(Cl)Cl 3294193 WZRAQCIEPLJFEQ-JTQLQIEISA-N 372.067 3.820 0 40 FHAB O=S(=O)(c1ccccc1Cl)N1CCC[C@@H]1c1nc2ccccc2[nH]1 10629307 KDKADJDUHSLMQT-OAHLLOKOSA-N 361.854 3.742 0 40 FHAB CC(C)c1cccc(NC(=O)CNc2ccccc2C(=O)NC2CC2)c1 10767520 MCXRYEFBHGIZIV-UHFFFAOYSA-N 351.450 3.753 0 40 FHAB Cc1c(C(=O)Nc2ccccc2)sc2[nH]c(-c3ccccn3)nc(=O)c12 20369418 VKRXVEZUCUTQPB-UHFFFAOYSA-N 362.414 3.607 0 40 FHAB O=C(N[C@@H]1CCc2ccccc21)C1CCN(c2nc3ccccc3o2)CC1 11173120 BXQYSHXWMKDIGZ-GOSISDBHSA-N 361.445 3.848 0 40 FHAB Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)c3ccc(F)cc3)[nH]n2)cc1 11494366 HMKKOICTDKLOMG-CYBMUJFWSA-N 352.365 3.952 0 40 FHAB O=C(NCc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2534499 OFXTVQCLCMISMP-UHFFFAOYSA-N 356.731 3.614 0 40 FHAB COc1ccc(NC(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)cc1 2716078 PTJUFIRFTGUYHU-UHFFFAOYSA-N 360.776 3.629 0 40 FHAB O=C(O)[C@@H](c1c[nH]c2ccccc12)N1CCN(c2ccc(Cl)cc2)CC1 12324928 UZHCEBZOXLCJBN-LJQANCHMSA-N 369.852 3.769 0 40 FHAB O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 103041003 AMDORTJEUIHAAZ-KFWWJZLASA-N 367.415 3.575 0 40 FHAB O[C@H](c1ccccc1)C1CCN(Cc2csc(-c3ncccn3)n2)CC1 48234781 ACIMQDYISKEHQC-GOSISDBHSA-N 366.490 3.546 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)COc2ccccc2F)c(OC)c1 12782990 RLEYMZBJDCPCOB-QGZVFWFLSA-N 359.397 3.585 0 40 FHAB CCOC(=O)N[C@H]1CCCN(C(=O)CCc2cccc(Cl)c2Cl)C1 48333533 CGRHVMGDRWTJCC-ZDUSSCGKSA-N 373.280 3.663 0 40 FHAB COc1ccc(F)cc1C(=O)COC(=O)/C=C/c1cccc2cccnc12 12824219 VIIFMSNXLXKTIQ-JXMROGBWSA-N 365.360 3.822 0 40 FHAB Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nccn2C)o1 9319236 KPYQJLBAKZOMPC-UHFFFAOYSA-N 353.407 3.726 0 40 FHAB Cc1ccc(-c2nc(CCNC(=O)Cc3ccc(Cl)cc3)c[nH]2)cc1 13608043 BERWKCLFKWDLMG-UHFFFAOYSA-N 353.853 3.940 0 40 FHAB O=C(NC1CCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 5000678 RLZGVKFEKJPZON-FQEVSTJZSA-N 370.474 3.726 0 40 FHAB COC[C@@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 29507295 IDFHPCLSDGXCRX-CYBMUJFWSA-N 354.381 3.912 0 40 FHAB CCOc1cc(Br)cc(/C=C2/SC(=O)N(CC)C2=O)c1O 409066325 LDKWQOOVWRMMBF-IZZDOVSWSA-N 372.240 3.610 0 40 FHAB CCOC(=O)c1ccc(NC(=O)CCn2ccc3cc(OC)ccc32)cc1 13731185 FGUCJSMYKWHVHE-UHFFFAOYSA-N 366.417 3.855 0 40 FHAB Cc1ccc(-c2nnc(Cc3nc(-c4ccccc4F)no3)o2)cc1F 65185423 QKTMBVNRNQGRQV-UHFFFAOYSA-N 354.316 3.964 0 40 FHAB O=C(CN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ccc(Cl)cc1 4419319 CETHUXBLZYDMJI-UHFFFAOYSA-N 364.788 3.728 0 40 FHAB Cc1nc(-c2cccs2)sc1C(=O)NCc1ccc2c(c1)OCO2 14167206 GOJZBOVDQYQNGQ-UHFFFAOYSA-N 358.444 3.839 0 40 FHAB CCOc1ccc(CC(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1 25157704 LNUGDKMMYSCEGO-UHFFFAOYSA-N 367.367 3.885 0 40 FHAB Cc1ccc(C)c(Sc2ccc(NC(=O)CN3CCC(O)CC3)cc2)c1 14247683 LDBFKLMMZWBPRY-UHFFFAOYSA-N 370.518 3.850 0 40 FHAB O=C1c2ccccc2N[C@H](c2ccc3c(c2)OCO3)N1c1ccc(O)cc1 9423264 UAHOFGCGXBIRFX-FQEVSTJZSA-N 360.369 3.892 0 40 FHAB COc1ccccc1CNc1nc(-c2cccnc2)nn1C(=O)CC(C)C 4732574 VHRUGHYMIIYUED-UHFFFAOYSA-N 365.437 3.647 0 40 FHAB CC(C)n1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccco1 4736092 VZEHRVOJVFLZAW-UHFFFAOYSA-N 370.478 3.570 0 40 FHAB O=C(Nc1ccc(N2CCCCCC2)cc1)[C@H]1COc2ccccc2O1 5689334 QJTSSLNPOJKYFZ-HXUWFJFHSA-N 352.434 3.846 0 40 FHAB Cc1cc(C)cc(NC(=O)c2nnn(Cc3ccc(F)cc3Cl)c2N)c1 4934078 RHKYMCAOIYEUNT-UHFFFAOYSA-N 373.819 3.570 0 40 FHAB Cc1[nH]c2ccccc2c1[C@@H](c1cccs1)N1CCC(C(N)=O)CC1 19864058 XNKLPDHFLDOPGJ-LJQANCHMSA-N 353.491 3.825 0 40 FHAB COc1ccc([C@H](CNC(=O)c2cc(F)c(F)cc2Cl)N(C)C)cc1 5958725 JFZZJYWIVRSDMG-KRWDZBQOSA-N 368.811 3.660 0 40 FHAB CC(C)Cc1nnc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)s1 15831198 HMIMISJWNLQWDY-UHFFFAOYSA-N 363.826 3.749 0 40 FHAB COc1ccc(-c2nc(C(=O)NCc3ccccc3F)cs2)cc1OC 7960943 VIRFRSOHTUYACX-UHFFFAOYSA-N 372.421 3.896 0 40 FHAB Cc1ccc(CN(C)CC(=O)Nc2ccccc2C(=O)c2ccccc2)o1 7975996 BDKYNKLDAJLZHO-UHFFFAOYSA-N 362.429 3.890 0 40 FHAB CCN(C[C@@H]1CCN(C(=O)c2ccc3c(c2)CCCC3)C1)CC(F)(F)F 81452953 KEANHSRERJJMDR-HNNXBMFYSA-N 368.443 3.912 0 40 FHAB c1ccc(-n2nnnc2N2CCC(c3nc4ccccc4s3)CC2)cc1 8063963 MSMPSWBJVRWCEQ-UHFFFAOYSA-N 362.462 3.656 0 40 FHAB CC(C)n1ncc2c(C(=O)NC[C@@H]3CCCO3)cc(-c3ccccc3)nc21 8133476 HBNBASZRCVERCA-INIZCTEOSA-N 364.449 3.588 0 40 FHAB Fc1ccc(OCc2nnc3sc(CCc4ccccc4)nn23)cc1 8393407 RFCBXFYDZXBSCT-UHFFFAOYSA-N 354.410 3.689 0 40 FHAB C[C@H](Sc1nc2sccc2c(=O)[nH]1)C(=O)Nc1ccc(Cl)cc1 8456772 WVRHOQVYCXAWGQ-QMMMGPOBSA-N 365.867 3.757 0 40 FHAB Cc1ccccc1OCc1n[nH]c(SCC(=O)Nc2cccc(F)c2)n1 8511188 BTFFSOQYHYPGNE-UHFFFAOYSA-N 372.425 3.562 0 40 FHAB Cc1noc([C@H](C)NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 72049594 KQKGHQMFLKNNSM-LURJTMIESA-N 367.249 3.907 0 40 FHAB Cc1cccc(NC(=O)CNC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)c1C 8756271 JXQLFPANUHOZPK-YOEHRIQHSA-N 354.450 3.707 0 40 FHAB C[C@@H](OC(=O)[C@@H]1CSCN1C(=O)C1CCC1)c1ccc(Cl)s1 92487331 MVDUXZFYXORYND-KOLCDFICSA-N 359.900 3.707 0 40 FHAB Cc1nc2sc(C(=O)N3CC=C(c4ccccc4)CC3)c(C)c2c(=O)[nH]1 9834101 XBJQJGFNBZJIDA-UHFFFAOYSA-N 365.458 3.531 0 40 FHAB O=C(c1ccc2[nH]c(=S)oc2c1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 73424983 TVGLBNMRZTYEDX-CHWSQXEVSA-N 364.492 3.617 0 40 FHAB O=C(O)CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cccc(Cl)c1 89827794 ITPCDKKAGUXLJZ-QGZVFWFLSA-N 356.809 3.883 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc(C)cc2)cc1 26311140 XFLSLYDNIUFELU-KRWDZBQOSA-N 360.523 3.876 0 40 FHAB c1cncc(-c2ccc3nc([C@@H]4CCN(Cc5ccsc5)C4)nn3c2)c1 306138239 RTBJDIIISRQQON-GOSISDBHSA-N 361.474 3.842 0 40 FHAB CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)c1ccoc1C)CC2 548680350 MWPUVTAHAYCKSN-GOSISDBHSA-N 372.490 3.693 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)COc1ccc(C)cc1 219358257 GEVFOYIZZJIABH-OXQOHEQNSA-N 357.450 3.745 0 40 FHAB CC(C)(C)OC(=O)NCCC(=O)Nc1cc(C2CCCCCC2)[nH]n1 78820659 IQOZJFQDHNLODG-UHFFFAOYSA-N 350.463 3.701 0 40 FHAB Cc1cc(-n2cncn2)ccc1C(=O)N1CCN(C2CC2)c2c(C)cccc21 184734681 UUIWBCWASIPUGB-UHFFFAOYSA-N 373.460 3.513 0 40 FHAB Cc1ccccc1N1C(=O)C[C@H](Nc2ccc(Br)cc2)C1=O 36635395 SXUSEQRHXIRSMV-AWEZNQCLSA-N 359.223 3.502 0 40 FHAB COc1ccc(OC)c(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1 222976044 PXARJTWEAWFTOP-AWEZNQCLSA-N 355.434 3.989 0 40 FHAB Cc1ccc(NC(=O)NCc2ccnc(N3CCCCC3)n2)c(Cl)c1 224211634 WJDSTBBJRUUQKJ-UHFFFAOYSA-N 359.861 3.750 0 40 FHAB Cc1cccc(CN2CCC(C(=O)NCCSC3CCCC3)CC2)c1 223270013 FONCPPCGCWWTTB-UHFFFAOYSA-N 360.567 3.999 0 40 FHAB Cc1ccc(NC(=O)Cn2ccc(=O)c3ccc(Br)cc32)cc1 225738640 WNQZFQOXNGYQNS-UHFFFAOYSA-N 371.234 3.711 0 40 FHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccccc1OC 224444803 ZPIDDZBIIHPQEP-MRXNPFEDSA-N 363.841 3.701 0 40 FHAB CN(C)CCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cn1 225931417 RDDILIFYZMTIKW-UHFFFAOYSA-N 367.493 3.863 0 40 FHAB C[C@@H](C(=O)NCCc1ccc(O)cc1)c1ccc(C[C@H]2CCCC2=O)cc1 575443395 WBMVRNRMMUSDEF-OXQOHEQNSA-N 365.473 3.766 0 40 FHAB COc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)ccc1O 40285852 HCXSWJQJDJSUIX-AWEZNQCLSA-N 353.353 3.849 0 40 FHAB CCOC(=O)C1CCN(C(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)CC1 223015484 JTECRCFXLFIISC-KRWDZBQOSA-N 367.873 3.608 0 40 FHAB C[C@]1(CN[C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCO[C@H]1C1CC1 577492467 PMJDFEYRSJKWAW-FDFHNCONSA-N 354.538 3.978 0 40 FHAB COc1ccc(NC(=O)[C@H]2CC3(CCN(C)CC3)c3ccccc32)cc1 96241652 CORXAYFUBNYPLZ-IBGZPJMESA-N 350.462 3.785 0 40 FHAB O=C(CC1=CCCCC1)N1CC2(C[C@H](OCc3cccnc3)CS2)C1 247805913 BBJYCFSAWFCIJX-SFHVURJKSA-N 358.507 3.575 0 40 FHAB OC[C@]1(c2ccccc2)CCCN(CCCc2ccc3c(c2)CCO3)C1 585080715 YICGTDYXOYYCJA-QHCPKHFHSA-N 351.490 3.580 0 40 FHAB COc1cccc(C2CCN(C(=O)c3cc4nc[nH]c4cc3F)CC2)c1 644855301 OGQWTWKFQLTEGU-UHFFFAOYSA-N 353.397 3.730 0 40 FHAB C[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1)c1ccc(C(F)F)nc1 657923406 UGIQSDONIOUCNF-CZANMRCUSA-N 371.431 3.827 0 40 FHAB Cc1ccccc1OCCN(C)C(=O)c1c[nH]nc1-c1ccc(F)cc1 36647713 OJNBUDIEPNACLI-UHFFFAOYSA-N 353.397 3.675 0 40 FHAB CCOc1ccc(C(=O)CSc2nnc(N3CCCC3)n2C2CC2)cc1 73323746 VHWZLKBOHBKVOH-UHFFFAOYSA-N 372.494 3.587 0 40 FHAB COc1ccc(N[C@H](C)c2nc(C)no2)cc1NC(=O)c1cccc(F)c1 56155796 YTRPCHDZTGKYIW-LLVKDONJSA-N 370.384 3.951 0 40 FHAB O/C(=N\c1nnnn1-c1ccccc1)c1cc(F)c(Cl)cc1Cl 75583810 DCRCNNADPPFGFP-UHFFFAOYSA-N 352.156 3.745 0 40 FHAB O=C1CCCC[C@H]2[C@H]1[C@@H](c1ccccc1)[C@H](C(=O)O)N2Cc1ccccc1 1547139792 PHRDQWTYDOYLKH-BDKRGJGYSA-N 363.457 3.867 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(=O)[nH]2)cc1 5045352 DSSABWIXLHYFOQ-CQSZACIVSA-N 365.458 3.865 0 40 FHAB COc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1OC 5335843 XLGWRLXPICZDLF-UHFFFAOYSA-N 364.365 3.517 0 40 FHAB CCc1sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)nc1-c1ccccc1 5674247 MJWKACNUDPEBJP-VRKREXBASA-N 368.458 3.834 0 40 FHAB CC(=O)/N=c1\sc(C(C)=O)nn1-c1cc(Cl)c(Cl)cc1Cl 5726494 BDPZMGDIPTYHLE-VBKFSLOCSA-N 364.641 3.544 0 40 FHAB O=C1NCCCC12CCN(Cc1cccc(Oc3ccccc3)c1)CC2 12227885 INAQTDJSOUIFJP-UHFFFAOYSA-N 350.462 3.971 0 40 FHAB COc1cc(/C=C/c2noc(-c3ccccc3O)n2)cc(OC)c1OC 13120394 LHRJHMDQIQUMPG-CMDGGOBGSA-N 354.362 3.638 0 40 FHAB aggregator,biogenic COc1ccc(CCC(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1 16971302 LYOSAKWKIACGCX-UHFFFAOYSA-N 371.452 3.632 0 40 FHAB C[C@H]1CCC[C@H](NC(=O)[C@@]2(C)CC2(Br)Br)[C@@H]1C 17075385 ONPFGMBLRBYCSL-MIZYBKAJSA-N 367.125 3.823 0 40 FHAB CCOc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)ccc1O 6394994 YMRXVZUQCAHXKV-SQWSFHKJSA-N 370.474 3.953 0 40 FHAB Cc1ccccc1[C@@H](NC(=O)c1cnc(C(C)(C)C)nc1)c1ccncc1 12148528 DESJSDPYUUSBHZ-IBGZPJMESA-N 360.461 3.997 0 40 FHAB COc1ccc(NC(=O)c2ccc3nc(C(C)(C)C)cn3n2)cc1Cl 1888911957 OFXHBBYVLZHNIL-UHFFFAOYSA-N 358.829 3.941 0 40 FHAB O=C(O)c1csc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1 13299951 WVOHZADNTNXVML-UHFFFAOYSA-N 352.220 3.554 0 40 FHAB COc1ccccc1-c1nnc(NC(=O)c2nc3ccccc3s2)o1 4276004 LREGFIVXOBKSJK-UHFFFAOYSA-N 352.375 3.607 0 40 FHAB CCn1ncc(-c2ccno2)c1C(=O)Nc1ccc(C(F)(F)F)cc1 4769977 DTKAHYZLJWQZRR-UHFFFAOYSA-N 350.300 3.829 0 40 FHAB COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)CCc1ccccc1 11024782 ODKNCDGWYTYSII-UHFFFAOYSA-N 372.428 3.976 0 40 FHAB Cc1ccccc1-c1noc(CS(=O)(=O)c2ccc(Cl)s2)n1 23126417 PUSQOCDLSAZYOX-UHFFFAOYSA-N 354.840 3.734 0 40 FHAB O=C(NC[C@H]1CCCN1c1nc2ccccc2o1)c1cccc(Cl)c1 206774725 KRQKRAKZIDSLPD-OAHLLOKOSA-N 355.825 3.880 0 40 FHAB COc1ccc2oc(C(=O)N3CCC[C@@H](Oc4ccncc4)C3)cc2c1 575614275 YDXUOTKBFOMRCK-QGZVFWFLSA-N 352.390 3.520 0 40 FHAB COc1ccc(-c2cnc(SCC(N)=O)n2-c2ccc(Cl)cc2)cc1 44087513 JJCNYPOUVDPXED-UHFFFAOYSA-N 373.865 3.779 0 40 FHAB CC(C)c1nnc(NC(=O)CCC(=O)N[C@H]2CCCc3ccccc32)s1 2604672 IFNWDGTXTZETBO-HNNXBMFYSA-N 372.494 3.574 0 40 FHAB C[C@H](N[C@@H]1CCC[C@@H]1C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 89551629 DEGFAKGDBQWPOS-YZVOILCLSA-N 362.495 3.597 0 40 FHAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(O)cc2)c(OC)c1 40268236 YOAIJFIJXIXEGU-OAHLLOKOSA-N 365.389 3.719 0 40 FHAB Cc1nc(N2CCC[C@H](C(=O)O)C2)c2cc(-c3ccccc3)sc2n1 20318881 XXEKFMPZMLMJMJ-AWEZNQCLSA-N 353.447 3.968 0 40 FHAB Cc1cc(N2CCN(CCOc3ccccc3Cl)CC2)nc(C(C)C)n1 32797352 NPOZPCOHXNNOAA-UHFFFAOYSA-N 374.916 3.763 0 40 FHAB O=C(CCCOc1cccc2ccccc12)Nc1ccc2[nH]c(=O)[nH]c2c1 32931358 HSNTWGYGWCPNBE-UHFFFAOYSA-N 361.401 3.807 0 40 FHAB O=c1ccn(-c2ccc(Cl)cc2)nc1-c1nc(-c2ccc(F)cc2)no1 33300470 WVSQFTFOYQOWFV-UHFFFAOYSA-N 368.755 3.742 0 40 FHAB C[C@H]1CN(C(C)(C)CNC(=O)Nc2cccc3ccccc23)C[C@H](C)O1 22357889 MTXMEBPNJBWLBJ-HOTGVXAUSA-N 355.482 3.849 0 40 FHAB Cc1ccc(Oc2cc(CNC(=O)[C@@H](C)n3ccnc3)ccn2)cc1C 53515433 SHDHCBLILCGPPO-MRXNPFEDSA-N 350.422 3.565 0 40 FHAB CNC(=O)COc1ccc(CNCc2cc(-c3ccccc3)cs2)cc1 54176207 MQYJUFLUIQXSCR-UHFFFAOYSA-N 366.486 3.830 0 40 FHAB CCOC(=O)c1nc(Nc2cc(OC)ccc2OC)c2ccccc2n1 956530 JUMBNDWBTNHIOC-UHFFFAOYSA-N 353.378 3.567 0 40 FHAB C[C@@H]1CN(c2ccc(Nc3nccc(C(F)(F)F)n3)cc2)C[C@@H](C)O1 84713562 FECPBYSBMQGLPI-VXGBXAGGSA-N 352.360 3.853 0 40 FHAB CCOc1ccc(-n2nnc(C(=O)Nc3cc(C)ccc3C)c2C)cc1 2713298 LWNIQIIXXIDTRY-UHFFFAOYSA-N 350.422 3.844 0 40 FHAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2c(C)cccc2C(C)C)c1 3399741 YOJNAFYOANBHHI-UHFFFAOYSA-N 371.433 3.931 0 40 FHAB CCOc1ccccc1N1CCN(c2cc(Cl)nc(SC)n2)CC1 1398304 BGZUQYIDDHSPJD-UHFFFAOYSA-N 364.902 3.577 0 40 FHAB COc1ccc2oc(C(=O)OCC(=O)N(C)C3CCCCC3)c(C)c2c1 4319238 SOJZEFXUTNDOCF-UHFFFAOYSA-N 359.422 3.698 0 40 FHAB CCc1ccc(C(=O)N2CC=C(c3c(OC)cc(OC)cc3OC)CC2)o1 25082894 KKOLYQAFPHTBRJ-UHFFFAOYSA-N 371.433 3.797 0 40 FHAB COC(=O)C[C@@H]1c2ccc3cc(OC)ccc3c2CC[C@]1(C)C(=O)OC 4721439 SVKRYUBDXQSLOP-NQIIRXRSSA-N 356.418 3.621 0 40 FHAB CC(C)Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 6345818 PMPLIMUVXFIZOU-AWEZNQCLSA-N 356.397 3.605 0 40 FHAB CC(C)c1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 6616962 IIJCXRQMGKKPRD-DOTOQJQBSA-N 351.450 3.623 0 40 FHAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2CC)C1 7310708 QDKKDRARSPGXKC-INIZCTEOSA-N 352.434 3.639 0 40 FHAB C[C@@H]1CCc2ccccc2N1CC(=O)Nc1cccc(N2CCCC2=O)c1 10053678 PPSPOZYKHCVWSZ-MRXNPFEDSA-N 363.461 3.593 0 40 FHAB CN(C)[C@@H](CNC(=O)Nc1cccc(OC(F)F)c1)c1ccsc1 47906529 IJSLQYKVYHLCRC-AWEZNQCLSA-N 355.410 3.774 0 40 FHAB CC[C@H]1CCCCN1C(=O)Cn1c(-c2cccc(Cl)c2)nc(C)cc1=O 57526746 UFIDOEYGKKVNLV-KRWDZBQOSA-N 373.884 3.663 0 40 FHAB Cc1cc(NC(=O)[C@H](C)[S@@](=O)Cc2ccc(Cl)cc2Cl)no1 58175671 QXNPUCHBODFSKM-GTUYJWLHSA-N 361.250 3.566 0 40 FHAB CC[C@H](C)NC(=O)[C@H]1C[C@H](C)N(Cc2nc(C3CC3)no2)c2ccccc21 58246832 ZEBMNEPNJYPDPU-ZQIUZPCESA-N 368.481 3.744 0 40 FHAB O=C1CN[C@@H](c2ccc(Cl)cc2)c2cc(Br)ccc2N1 72314667 PXWDSUABDPNALQ-HNNXBMFYSA-N 351.631 3.734 0 40 FHAB Cc1ccc(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 3247215 WBUMIHLSESKOLU-UHFFFAOYSA-N 351.446 3.633 0 40 FHAB CCc1nnc(NC(=O)c2cnn(-c3ccccc3C)c2C2CC2)s1 29784073 HXBMVZXRHHQHEI-UHFFFAOYSA-N 353.451 3.724 0 40 FHAB Cc1nc(COc2ccc(C(=O)N3CCCc4ccc(F)cc43)cc2)no1 58419731 OQJMWXVWIPUGCT-UHFFFAOYSA-N 367.380 3.689 0 40 FHAB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2CCCC2=C2CCC[C@@H]23)cc1 101592859 DZPGNKNDQDGSDR-MUGJNUQGSA-N 365.429 3.628 0 40 FHAB O=C(COC(=O)CCc1nc2ccccc2s1)NC1CCCCCC1 3254166 ZSGIBTPFOGMELU-UHFFFAOYSA-N 360.479 3.611 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCc2ccccc21 29110291 SMSOBRFKIYQCFA-SJLPKXTDSA-N 358.482 3.622 0 40 FHAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(C)cc2)N1C(C)=O 11692263 OTLRGBJJBMKOLU-PZJWPPBQSA-N 362.429 3.512 0 40 FHAB CC(=O)N[C@@H]1C(=O)N(Cc2ccccc2OC(C)C)c2c(C)cc(C)cc21 102787810 FIWSBIPLTNYVME-FQEVSTJZSA-N 366.461 3.815 0 40 FHAB CC(C)n1cc(C(=O)N2[C@H]3CC[C@@H](C3)[C@@H]2COc2ccc(F)cc2)cn1 100113240 SIZLQLKLMQSUJX-FNHZYXHNSA-N 357.429 3.675 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 12787536 WXIBVYWJCZHHCZ-ZDUSSCGKSA-N 360.841 3.886 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)Cn1c(C)cc(=O)n2c3ccccc3nc12 20634993 FKZVVZGZMFEPOH-UHFFFAOYSA-N 370.412 3.630 0 40 FHAB Cc1ccc(C)c(N2CCN([C@H](c3nnnn3C(C)(C)C)C(C)C)CC2)c1 57669714 HVVCJGDXGSMKSX-IBGZPJMESA-N 370.545 3.564 0 40 FHAB COc1ccc(C)cc1NC(=O)COc1ncnc2sc(C)c(C)c12 3366406 UIPQVGLRJZPYBR-UHFFFAOYSA-N 357.435 3.643 0 40 FHAB CC(=O)N[C@@H](CC(=O)NCC1(c2ccccc2)CC1)c1ccc(Cl)cc1 48325474 UNFWSPYRQZDNDG-IBGZPJMESA-N 370.880 3.755 0 40 FHAB Cc1ccc(CNC(=O)c2c3c(nc4ccccc24)CCN(C)C3)cc1F 12848541 XOTNWIIRUWIPFT-UHFFFAOYSA-N 363.436 3.600 0 40 FHAB C[C@H](Sc1nnc(-c2ccncc2)n1C)C(=O)Nc1cccc(Cl)c1 3578151 WSLQYARIXNOKAF-NSHDSACASA-N 373.869 3.650 0 40 FHAB O=C(NCCc1cccs1)NCc1ccc(CN2CCCCC2)cc1 12984974 HAENQEZTGMBCMG-UHFFFAOYSA-N 357.523 3.776 0 40 FHAB COc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)C(C)C)c1 9191677 WFYDFTMHQWSGAC-UHFFFAOYSA-N 364.445 3.896 0 40 FHAB Cc1cc(C)cc(OCC(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1 13042488 GFCQHTYBIKCWHR-UHFFFAOYSA-N 374.868 3.811 0 40 FHAB Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)Cc1cccs1 13150522 HJUBHOFAEQGNBX-UHFFFAOYSA-N 364.883 3.862 0 40 FHAB Cc1cnc2c(S(=O)(=O)N3CC=C(c4ccccc4)C3)cccc2c1 95465274 QGTIWPCUHLYKHS-UHFFFAOYSA-N 350.443 3.631 0 40 FHAB Cc1ccccc1NCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O 6044904 RTCPDKWTAYNTEA-MFOYZWKCSA-N 368.414 3.830 0 40 FHAB CC(C)(C)OC(=O)N1C[C@H](Cc2cccc(C(F)(F)F)c2)C[C@H]1C(=O)O 4241454 RWCBEYAFNSRYJW-OCCSQVGLSA-N 373.371 3.958 0 40 FHAB Cn1c(SCC(=O)NC2CCCC2)nnc1-c1ccc2c(c1)CCCC2 13941882 BNMYMFDHETWJKM-UHFFFAOYSA-N 370.522 3.512 0 40 FHAB CC[C@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccc(OC)cc1 20112311 DIJIRWWMKKWVGA-KRWDZBQOSA-N 353.871 3.919 0 40 FHAB O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccc2ccccc2c1 6536885 CWYPQKIRYOYMTO-UHFFFAOYSA-N 366.804 3.857 0 40 FHAB Cc1ccc(-c2nn3c([C@@H]4COc5ccccc5O4)nnc3s2)cc1 4664926 SZVDCKHUMMSRDF-HNNXBMFYSA-N 350.403 3.674 0 40 FHAB COc1ccccc1CNc1nc(-c2cccnc2)nn1C(=O)C(C)(C)C 4732603 MUUGTPVZAPFELS-UHFFFAOYSA-N 365.437 3.647 0 40 FHAB Cc1ccc(C)c(NC(=O)CSc2nccn(-c3ccccc3)c2=O)c1 6915241 YLBQVBIWKVUZFU-UHFFFAOYSA-N 365.458 3.580 0 40 FHAB O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)[C@@H]1CCCO1 4950898 JKLXXLAQKMGMIO-ZDUSSCGKSA-N 356.369 3.870 0 40 FHAB CN(Cc1ccc(F)cc1)Cn1nc(-c2ccc(F)cc2)n(C)c1=S 7141640 HAGHKKAVQNEYQF-UHFFFAOYSA-N 360.433 3.986 0 40 FHAB Cc1nc(NC(=O)c2cccc(I)c2)sc1C 7685730 CTHHAGIKBPFPLO-UHFFFAOYSA-N 358.204 3.617 0 40 FHAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2ccc(C(N)=O)cc2)s1 7770525 GVABBXCEYBYOAL-UHFFFAOYSA-N 369.421 3.538 0 40 FHAB CCC(=O)N(c1nnc(SCc2nc3ccccc3o2)s1)C1CC1 9503186 GSDOISZEVQGLFW-UHFFFAOYSA-N 360.464 3.877 0 40 FHAB Cc1nn(CN(C)[C@@H](c2cccnc2)C(C)C)c(C)c1Br 68618888 BIFQYXVOALWTTJ-MRXNPFEDSA-N 351.292 3.944 0 40 FHAB O=C(Nc1cc(F)cc(F)c1)[C@H]1CCCCN1C(=O)/C=C/c1ccco1 71808692 GMSRWZJWZHRNGI-DKRLNXSXSA-N 360.360 3.591 0 40 FHAB Cc1nc2cc(NC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)ccc2o1 8369434 UTTUNZJHUVKLTO-ZDUSSCGKSA-N 359.426 3.722 0 40 FHAB COc1ccc(CNC(=O)[C@H](C)Oc2ccc(SC)cc2)cc1OC 8767828 LCEWFLUFJQCNOY-ZDUSSCGKSA-N 361.463 3.509 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)Nc1nc(-c2ccccn2)cs1 8729289 AEMDIZMMLXJRLM-UHFFFAOYSA-N 353.403 3.505 0 40 FHAB CC(C)n1ccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)n1 95958946 WNTPAJRMONMCPB-OAHLLOKOSA-N 354.454 3.731 0 40 FHAB CC(C)COC(=O)N1CCC(NC[C@@H]2CCO[C@H]2c2ccccc2)CC1 89157142 XDGLTGFXWDNLDQ-ICSRJNTNSA-N 360.498 3.611 0 40 FHAB CC[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(OC)cc1 20047851 PIUDZGBXIYAOHK-FQEVSTJZSA-N 366.461 3.699 0 40 FHAB CCn1ncc(-c2cc(C(F)F)nc(Nc3c(C)nn(C)c3C)n2)c1C 36613732 PEXLCAAZGGZRSZ-UHFFFAOYSA-N 361.400 3.700 0 40 FHAB O=C(NC[C@@H]1Cc2cc(Cl)cc(-c3cnccn3)c2O1)C1=CCCCC1 12159090 FDGHQFUIGCZEIW-INIZCTEOSA-N 369.852 3.717 0 40 FHAB CC(C)(C)[C@@H]1CCc2onc(C(=O)NCC(C)(C)N3CCCCC3)c2C1 35316575 IDUYJZPVNQTSQJ-OAHLLOKOSA-N 361.530 3.820 0 40 FHAB COc1ccc(CN(C)C(=O)Cc2csc(Cc3ccccc3)n2)cc1 31637357 HUPPQFNSLBGHFC-UHFFFAOYSA-N 366.486 3.944 0 40 FHAB CC(C)c1cc(-c2nn3c(-c4ccc(F)c(F)c4)nnc3s2)n(C)n1 71284135 JVYCGKDHJUDKHH-UHFFFAOYSA-N 360.393 3.655 0 40 FHAB Cc1ccccc1NC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 35289004 JDFNOOVBEHZWNY-UHFFFAOYSA-N 355.413 3.560 0 40 FHAB COc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)c3cccnc3)C2)c1 72358705 JFCWMFRHBFZRFM-GOSISDBHSA-N 374.444 3.567 0 40 FHAB C[C@H](NC(=O)Cc1nsc2ccccc12)[C@@H]1OCCc2sccc21 563001395 DKRNGMYMXWFTTN-VOJFVSQTSA-N 358.488 3.719 0 40 FHAB Cc1c2ccc(NC(=O)N3Cc4ccccc4O[C@@H](C)C3)cc2nn1C 563787476 JTBHBNRAFXSVLJ-ZDUSSCGKSA-N 350.422 3.697 0 40 FHAB CCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)Cc2ccccc2)n1 72378882 DJNXBVNEJQOOGZ-IBGZPJMESA-N 360.461 3.736 0 40 FHAB CC(C)Oc1ccc(C(=O)NCc2cccnc2-c2cccs2)cn1 225761890 RIQZUSYOFFXJOB-UHFFFAOYSA-N 353.447 3.922 0 40 FHAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)N[C@@H](C)c1ccc(Cl)cc1 225747719 GTFQVGFLDIPUHJ-AWEZNQCLSA-N 354.837 3.841 0 40 FHAB Cc1ccc(OCCNS(=O)(=O)Cc2ccc(Cl)cc2)cc1Cl 224151863 XAGXXXCDAUDKOW-UHFFFAOYSA-N 374.289 3.800 0 40 FHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1Cl 225605799 IMFDJQJUDFIJSL-UHFFFAOYSA-N 371.817 3.765 0 40 FHAB Cc1nc(-c2ccc(NC(=O)c3cnc4c(c3)c(C)nn4C)cc2)oc1C 40156358 CBJOHNPVBLQAOB-UHFFFAOYSA-N 361.405 3.801 0 40 FHAB CC(C)(C)c1ccccc1OCCNC(=O)c1ccc2c(c1)OCCO2 223739996 URCOVFURRMBBCW-UHFFFAOYSA-N 355.434 3.564 0 40 FHAB IC12CCC(I)(CC1)CC2 90560627 FWXREWNUAWFVFX-UHFFFAOYSA-N 361.992 3.702 0 40 FHAB COc1ccc(Cl)cc1C(=O)N1CC[C@H](N2CCc3ccccc3C2)C1 238864399 LKVCESYFNUNTFH-SFHVURJKSA-N 370.880 3.621 0 40 FHAB O=C(C[C@H]1CC2(CCN(Cc3ccco3)CC2)c2ccccc21)NC1CC1 96052968 WWACETQFRBWYTC-KRWDZBQOSA-N 364.489 3.969 0 40 FHAB Clc1ccc(CN2CCCC[C@@H]2c2nnc(-c3cnccn3)o2)cc1 257229833 FZQLARPNYFMWPY-MRXNPFEDSA-N 355.829 3.907 0 40 FHAB Cc1cncc(CO[C@H]2CCOC3(C2)CN(C(=O)CC2=CCCCC2)C3)c1 253604150 QWBYAFUDINYBHE-FQEVSTJZSA-N 370.493 3.557 0 40 FHAB Cc1nc(CN2CCN(c3ncnc4ccc(C(C)C)cc34)CC2)oc1C 647866305 NLQVMXFUFIKWRS-UHFFFAOYSA-N 365.481 3.680 0 40 FHAB CCc1nc(NC(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)sc1C 654009880 NKZWDDAJFRWSQY-KOLCDFICSA-N 351.394 3.635 0 40 FHAB COc1cccc(C2(NC(=O)NCc3ccn(C4CCCC4)n3)CCC2)c1 664488844 RWTUWFUHEPVMTK-UHFFFAOYSA-N 368.481 3.885 0 40 FHAB Cc1nn(-c2ccccn2)c(C)c1CNC[C@H]1CSc2ccccc2O1 578768641 KWXOIRCGHWISKO-INIZCTEOSA-N 366.490 3.527 0 40 FHAB COCC[C@@H]1CN(C(=O)c2oc3ccccc3c2C)Cc2cccn2C1 585095249 JELYFWAUPSYUTC-INIZCTEOSA-N 352.434 3.851 0 40 FHAB CN(C)c1ccc(-c2ncn3c2[C@@H](NC(=O)c2ccccc2)CCC3)cc1 585110676 FUHKBJHGZNBZKV-IBGZPJMESA-N 360.461 3.881 0 40 FHAB COCC1(c2noc(CCc3cnn(-c4ccccc4)c3)n2)CCCCC1 558519396 RFYKNBORRQWDQT-UHFFFAOYSA-N 366.465 3.889 0 40 FHAB COc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc(OC)c1OC 1051262 PFAPAMIMZMHFGT-ZSOIEALJSA-N 373.792 3.710 0 40 FHAB O=C1CCCN1c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 5329216 GEWSDSDRCDNVDH-UHFFFAOYSA-N 366.442 3.767 0 40 FHAB Cc1cc(C)cc(NC(=O)CSc2nnnn2-c2ccc(C)c(C)c2)c1 5392132 LRGPJTOXXPHZSB-UHFFFAOYSA-N 367.478 3.627 0 40 FHAB Cc1cccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)c1 11612531 BATMIFDYRQWGQH-SFHVURJKSA-N 372.490 3.567 0 40 FHAB CCOC(=O)CCc1c(C)nc2c(-c3ccc(C)cc3)c(C)nn2c1O 12115631 OTKWYWDJAXGOHV-UHFFFAOYSA-N 353.422 3.523 0 40 FHAB Cc1cc2c(cc1NCc1cc(-c3ccc(F)cc3)c[nH]c1=O)OCCO2 12144078 ORZGYVADTHZUSR-UHFFFAOYSA-N 366.392 3.873 0 40 FHAB COc1cccc(N2C[C@@H](C(=O)N[C@H](C)c3ccc(Cl)cc3)CC2=O)c1 12873013 NSPPBOJRRUFELQ-HIFRSBDPSA-N 372.852 3.579 0 40 FHAB O=C(Cc1ccccc1Cl)Nc1ccc(S(=O)(=O)C(F)F)cc1 15998634 LKAUSHVXUXHOAC-UHFFFAOYSA-N 359.781 3.518 0 40 FHAB Cc1ccc([C@@H](NC(=O)c2c3c(nn2C)CCCC3)c2cccnc2)cc1 19136723 AHAPNINJPQTINM-HXUWFJFHSA-N 360.461 3.522 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cc3ccccc3o2)c1 4332074 YJXOLFFTIBITCP-ZDUSSCGKSA-N 351.358 3.819 0 40 FHAB CCCCNC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 4867802 XYNJIRHEBMYUOR-UHFFFAOYSA-N 361.433 3.629 0 40 FHAB Brc1cccc(Nc2ncnc3c2ncn3C[C@H]2CCCO2)c1 1888913651 LVIXOPQQOBCZSQ-CYBMUJFWSA-N 374.242 3.511 0 40 FHAB COc1ccc(C2(C(=O)NCc3ccccc3Cl)CCOCC2)cc1 16985434 IQZBDWSSVUUOCG-UHFFFAOYSA-N 359.853 3.713 0 40 FHAB O=C1CN(C(=O)c2ccccc2OCc2ccccc2)c2ccccc2N1 13687336 VPKHIGHZAJEOQS-UHFFFAOYSA-N 358.397 3.865 0 40 FHAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1F 25655914 RTJCAEOZXBDTMZ-JTQLQIEISA-N 358.232 3.628 0 40 FHAB COc1ccccc1C(=O)N(CCN(C)C)c1nc2ccccc2s1 4585285 SYOVEYJOIVCVRT-UHFFFAOYSA-N 355.463 3.513 0 40 FHAB COc1ccc(-n2nnc3c(sc4nc(C)c(Cl)c(C)c43)c2=O)cc1 4581407 MYNZCAWKGSCLRN-UHFFFAOYSA-N 372.837 3.669 0 40 FHAB COc1ccccc1C(=O)NCCc1csc(-c2cccc(F)c2)n1 5137481 MEFKCRKTYPLCLF-UHFFFAOYSA-N 356.422 3.930 0 40 FHAB COc1ccccc1Cn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1N 9304445 WPJQDEOYZNZQKU-UHFFFAOYSA-N 370.474 3.577 0 40 FHAB COc1cccc(-c2cc(-c3nc(-c4ccc5c(c4)OCO5)no3)[nH]n2)c1 16846261 GNHVBPKSNWFNOH-UHFFFAOYSA-N 362.345 3.531 0 40 FHAB O=C(NCc1c(-c2ccccc2)nc2n1CCS2)c1ccc(F)cc1F 17191494 MXHARILRYBYCMH-UHFFFAOYSA-N 371.412 3.864 0 40 FHAB COc1ccc2cc(-c3nnc(-c4cccc(N(C)C)c4)o3)c(=O)oc2c1 1775966811 BEMIXOYNBHWPCJ-UHFFFAOYSA-N 363.373 3.585 0 40 FHAB CN(c1ncccc1C(F)(F)F)[C@@H]1CCCN(C(=O)NC(C)(C)C)C1 1889133955 LZVHKYBYSZZXEH-GFCCVEGCSA-N 358.408 3.509 0 40 FHAB Cc1ccc(/C=C/S(=O)(=O)NC[C@@](C)(O)c2cc3ccccc3o2)cc1 217999502 ZIMJEAGAAAANRW-YVNCXZRQSA-N 371.458 3.539 0 40 FHAB Cn1nc(CN(C(=O)/C=C/c2cccs2)C2CCCC2)c2c1CCC2 217908452 DZSVLZBIJYDUBQ-VAWYXSNFSA-N 355.507 3.955 0 40 FHAB COc1ccc(C(=O)NC[C@H](c2cccs2)n2nc(C)cc2C)cc1F 575609416 BORBIWNDHONVNM-MRXNPFEDSA-N 373.453 3.729 0 40 FHAB CCOC(=O)c1ccc2nc(C)cc(NC(=O)COc3ccccc3)c2c1 17306653 BCFOPXWMGMDBHM-UHFFFAOYSA-N 364.401 3.737 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc2c(cc1Br)OCCO2 40023801 YRAXTGJJMJJPSH-PWSUYJOCSA-N 369.259 3.921 0 40 FHAB CCOC(=O)c1csc(NC(=O)Cc2coc3cc4c(cc23)CCC4)n1 40159766 LYHDQRMCNSPDEK-UHFFFAOYSA-N 370.430 3.736 0 40 FHAB C[C@H](OCC(F)(F)F)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 31712940 HUAGWXIHZVEXJV-GZMMTYOYSA-N 353.793 3.961 0 40 FHAB NC(=O)c1ccc(NC(=O)c2csc(Br)c2)cc1Cl 31953817 CAHDCCZZOAGABS-UHFFFAOYSA-N 359.632 3.515 0 40 FHAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)s2)cc1NS(C)(=O)=O 33193495 YWELJPKCMSTVEW-JTQLQIEISA-N 372.899 3.572 0 40 FHAB Cc1cc(CNC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)on1 103823862 NVIWCCJBWDGWSP-QJRTVWDNSA-N 367.287 3.723 0 40 FHAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc(F)ccc2F)CC1 22636313 IDSZSFITCOABGI-UHFFFAOYSA-N 350.796 3.889 0 40 FHAB CN(C)[C@@H](CNC(=O)CCc1nc2ccccc2s1)c1cccs1 22759668 YPEYHXOANASTSR-AWEZNQCLSA-N 359.520 3.710 0 40 FHAB COc1ccc(N2C[C@H](C(=O)Nc3ccc4ccccc4c3)CC2=O)cc1 806856 DIMNJTNRDRALNB-QGZVFWFLSA-N 360.413 3.840 0 40 FHAB O=C(N[C@H](c1cccs1)C1CCCC1)c1ccc(N2CCNC2=O)cc1 42940715 CVMXBEYYBCZMGP-SFHVURJKSA-N 369.490 3.939 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c(C)c1 24429100 GZRJCKWWEVCLPT-UHFFFAOYSA-N 360.479 3.633 0 40 FHAB CN(Cc1ccc(Cl)s1)C(=O)Cn1cnc2cc(F)c(F)cc21 24428058 YXQBLTGVFXTMRW-UHFFFAOYSA-N 355.797 3.688 0 40 FHAB O=C(NC(=O)c1c(Cl)nc2sccn12)Nc1ccc(Cl)cc1 1622881 CQGMCYMCGKVWNT-UHFFFAOYSA-N 355.206 3.665 0 40 FHAB CCCOC(=O)c1cccc(NC(=O)[C@]23CC[C@](C)(C(=O)C2)C3(C)C)c1 1770916 IHTLCXDXZUISPB-RTWAWAEBSA-N 357.450 3.977 0 40 FHAB O=C(c1csc(-c2cccs2)n1)N1CC[C@@H](OCc2cccnc2)C1 79021618 LTHUCWBONGSPPT-CQSZACIVSA-N 371.487 3.698 0 40 FHAB CCCN(Cc1cccnc1OC)C1CCN(C(=O)c2ccccc2)CC1 79105583 AFVMQXRPEYVZIP-UHFFFAOYSA-N 367.493 3.607 0 40 FHAB COc1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c(OC)c1 3606767 BQCMXHFFOCWESZ-UHFFFAOYSA-N 351.406 3.759 0 40 FHAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1ccc(-c2ccccc2F)o1 43271625 VWXOBWHEERMEDC-AWEZNQCLSA-N 355.369 3.714 0 40 FHAB CCOc1cccc2sc(N3CCN(C(=O)c4cccs4)CC3)nc12 4583487 SRLFCOLJUIRGMS-UHFFFAOYSA-N 373.503 3.719 0 40 FHAB Cc1ccc(Sc2ncccc2C(=O)N(C)Cc2cnn(C)c2)c(C)c1 25325638 UIQDMIMIFIPLOV-UHFFFAOYSA-N 366.490 3.855 0 40 FHAB CC(=O)Nc1nc(C(=O)N(Cc2ccco2)Cc2cccs2)cs1 25303560 RZFBCJKTQVXKOB-UHFFFAOYSA-N 361.448 3.599 0 40 FHAB CSc1cccc(NC(=O)COC(=O)c2ccc(F)cc2Cl)c1 7983590 FWPLGMNSEXXORY-UHFFFAOYSA-N 353.802 3.997 0 40 FHAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCC[C@@H]3C[C@H]4CC[C@H]3C4)c12 107334502 BXAQCEYRUGQHBK-CWRNSKLLSA-N 352.482 3.710 0 40 FHAB Cc1ccc(SCC(=O)NCc2ccc(CN3CCCC3)cc2)cc1 8430273 MFIGCJSVPWXDBN-UHFFFAOYSA-N 354.519 3.999 0 40 FHAB COc1cc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)ccc1O 8496103 RDHSODZLCYKYCY-YBEGLDIGSA-N 357.387 3.650 0 40 FHAB Cc1cc(OCC(=O)Nc2ccc(Cl)cc2)nc(N2CCCCCC2)n1 44170149 DKCIWNRAJBNRLE-UHFFFAOYSA-N 374.872 3.836 0 40 FHAB C[C@H](c1ccccc1)N1CC[C@@H](N[C@H](CO)c2cc(F)c(F)c(F)c2)C1 108160535 MYGPGIAZWSVKRK-VVFCZOMOSA-N 364.411 3.562 0 40 FHAB CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)c1cccs1 10087295 HZKJRGYMTQGWGN-NHYWBVRUSA-N 350.871 3.846 0 40 FHAB O=C(NCc1cccnc1Oc1cccc(F)c1)c1cn2ccccc2n1 58145536 LHNJFNVOUZAUPT-UHFFFAOYSA-N 362.364 3.591 0 40 FHAB Cc1cccnc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 27650070 QHJLNKSALVLEQI-UHFFFAOYSA-N 357.841 3.534 0 40 FHAB COc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)cc1 9137418 BSQPUCVNYHIYSW-UHFFFAOYSA-N 352.434 3.883 0 40 FHAB C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)NCCSc2ccccc2)C1 58202203 KJWXXBNOBQNZNW-QZTJIDSGSA-N 363.571 3.836 0 40 FHAB COc1ccc(C(=O)N2CCCCC[C@@H]2c2c(C)n[nH]c2C)cc1OC 95453187 SFWRYVRLHVTUMC-MRXNPFEDSA-N 357.454 3.801 0 40 FHAB CCCCNC(=O)C1(NC(=O)c2nc(Cl)ccc2Cl)CCCCC1 58310434 SAPDTSWLWHVCHD-UHFFFAOYSA-N 372.296 3.737 0 40 FHAB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1sccc1C 2347102 FRVWBMWJJOPOGL-MRXNPFEDSA-N 366.446 3.637 0 40 FHAB CC[C@@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3ccc(C)cc3)N2C1=O 2487185 QUDMIHMBCSZIBD-RDJZCZTQSA-N 372.490 3.985 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(O)c(C(=O)O)c1 20144686 LAILXKWQKAAETG-QMMMGPOBSA-N 370.188 3.803 0 40 FHAB CC(C)C[C@H]1C[C@H](NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)CCO1 95991257 GBDRYSFGGLBQCB-MSOLQXFVSA-N 369.465 3.938 0 40 FHAB Nc1nc2c(s1)[C@H](c1ccccc1OCc1ccccc1F)CC(=O)N2 12375571 AYMXBWDETYFREP-ZDUSSCGKSA-N 369.421 3.918 0 40 FHAB C[C@H]([C@@H](O)c1ccccc1)N(C)S(=O)(=O)c1ccc2ccccc2c1 3219681 UGDOTBUQVPPZOK-FOIQADDNSA-N 355.459 3.582 0 40 FHAB C[C@@H](c1nnc(-c2cccs2)o1)N1CCN(c2ccccc2F)CC1 12610334 YHLQAHNDTBOAPI-ZDUSSCGKSA-N 358.442 3.820 0 40 FHAB CCOc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 12761325 AFHMLWHLUNBKLL-GOSISDBHSA-N 353.418 3.834 0 40 FHAB COc1cc(CN(C)C(=S)NC2CCCCC2)ccc1OC(F)F 3384975 SHDMPRHWHNQLBZ-UHFFFAOYSA-N 358.454 3.936 0 40 FHAB Cc1ccc(NC(=O)NC(=O)CN2CCC[C@H]2c2ccsc2)c(C)c1 48356089 SQZNBJLIVZXHKA-KRWDZBQOSA-N 357.479 3.850 0 40 FHAB O=C(CCn1ncc(=O)c2ccccc21)Nc1cccc(Cl)c1Cl 12876987 GYKWBHMSMAKNAF-UHFFFAOYSA-N 362.216 3.732 0 40 FHAB CCSc1nnc(SCC(=O)c2ccc(OC)cc2OC)s1 3443429 VYELQGLNIFUZRA-UHFFFAOYSA-N 356.494 3.642 0 40 FHAB COc1cccc([C@@H](CNC(=O)Nc2ccc(F)cc2)N2CCCC2)c1 12984519 XPOYLCLDWNIYKU-LJQANCHMSA-N 357.429 3.793 0 40 FHAB C[C@@H](Nc1ccc2c3c(cccc13)CC2)C(=O)N1CC(=O)Nc2ccccc21 9156204 SAPWOKYCDLEAFA-CQSZACIVSA-N 371.440 3.724 0 40 FHAB COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccco3)c3ccccc3)cc2c1 13758691 QTODKJNUQQYUDI-UHFFFAOYSA-N 374.396 3.977 0 40 FHAB CCCCNCc1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 13731352 LVSBFWIUHDCNOY-UHFFFAOYSA-N 356.466 3.911 0 40 FHAB COc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccco1 13768536 KBUMETVSBOFVSW-UHFFFAOYSA-N 374.396 3.977 0 40 FHAB Cc1cccc(N2C[C@H](C(=O)NCCCCc3ccccc3)CC2=O)c1C 408708834 UFRKQRDEFXCBTI-HXUWFJFHSA-N 364.489 3.795 0 40 FHAB CC(C)(C)C(=O)NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20151421 PQACHJQUNMSCKB-UHFFFAOYSA-N 366.870 3.951 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CC1CCCCC1 39982735 YTLJVNYKXWJUSJ-NRFANRHFSA-N 366.509 3.542 0 40 FHAB CSc1nc(C)c(CCC(=O)Nc2cccc3cccnc23)c(C)n1 14071447 WCWYPWDXZDTAJW-UHFFFAOYSA-N 352.463 3.935 0 40 FHAB C[C@H](NC(=O)[C@H](C)n1c(S)nnc1-c1cccs1)c1cccs1 65511964 SYPJFWDUYMHKFM-UWVGGRQHSA-N 364.521 3.795 0 40 FHAB O=C(CCCc1c[nH]c2ccccc12)N1CCN(Cc2ccsc2)CC1 14198832 KGXNHEXRJAQFTC-UHFFFAOYSA-N 367.518 3.897 0 40 FHAB COc1cc(Br)cc(C)c1NC(=O)N1C[C@H](C)OC(C)(C)C1 65829127 OHUAKMZNSQWYKN-NSHDSACASA-N 371.275 3.797 0 40 FHAB CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)c2C#N)C1 5431190 QAGUHPZMIFAYBW-KWCYVHTRSA-N 360.479 3.964 0 40 FHAB Cc1nc2ccccc2n1Cc1nnc(S)n1-c1ccc(Cl)cc1 5491003 NLHMGECPGHZGTC-UHFFFAOYSA-N 355.854 3.916 0 40 FHAB COc1cc(OC)cc(C(=O)Oc2ccc(-c3ccc(F)cc3)nn2)c1 408528567 JEJRGNSWYQVCEO-UHFFFAOYSA-N 354.337 3.519 0 40 FHAB COc1cccc(OC)c1C(=O)OCc1ccccc1Br 5538117 XEYUNHMKUUSSCK-UHFFFAOYSA-N 351.196 3.823 0 40 FHAB CN1CCN(C(=S)c2cccc(OCc3ccccc3Cl)c2)CC1 408571689 CMTZGKKNGADIQR-UHFFFAOYSA-N 360.910 3.842 0 40 FHAB Cc1cccc(C)c1O[C@@H](C)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 4993451 ODYSMMFFIACLPT-ZDUSSCGKSA-N 372.490 3.749 0 40 FHAB CCOc1cc2c(cc1CNC(=O)c1ccc(C)c(OC)c1)O[C@H](C)C2 7116957 XLJAIXAQZORPSW-CQSZACIVSA-N 355.434 3.656 0 40 FHAB COc1cccc(Cl)c1C(=O)Nc1ccc(OCCCC(=O)O)cc1 95463970 FPLUXONBWJWWRL-UHFFFAOYSA-N 363.797 3.845 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 7309485 ONTGFKGWWLNTSY-KRWDZBQOSA-N 373.474 3.600 0 40 FHAB COc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)c(F)c1 7448656 AWQSGHQHUYJYFT-UHFFFAOYSA-N 356.441 3.750 0 40 FHAB CC(=O)c1cccc(S(=O)(=O)N2CCCCC[C@@H]2c2cccn2C)c1 9549174 MIDWQPKXZYUMMQ-LJQANCHMSA-N 360.479 3.534 0 40 FHAB CCCCc1nnc(SCC(=O)Nc2ccc(C)c(Cl)c2)n1C 408560835 PNOPKZBTCLOGHX-UHFFFAOYSA-N 352.891 3.850 0 40 FHAB O=C(Nc1cnn(-c2cnn(-c3ccccc3)c2)c1)c1c(F)cccc1F 21574411 QYKFKYKAOMRVFF-UHFFFAOYSA-N 365.343 3.589 0 40 FHAB C[C@H](C(=O)NCc1ccccc1F)n1c(-c2cccs2)n[nH]c1=S 9530708 IVKVLDSEDFQVIS-SNVBAGLBSA-N 362.455 3.686 0 40 FHAB CCOc1ccc2oc(C(=O)O[C@@H](C)C(=O)N3CCC(C)CC3)c(C)c2c1 7780401 CZYQYQZOKFTVIX-HNNXBMFYSA-N 373.449 3.944 0 40 FHAB CCOc1ccc2nc(NC(=O)/C=C/c3c(C)nn(C)c3C)sc2c1 7768307 BUXFZJLXJUJAJF-VQHVLOKHSA-N 356.451 3.697 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)CNC(=O)c1ccc(C)c(C)c1 8269291 RILALWKUFDYYKZ-UHFFFAOYSA-N 360.841 3.642 0 40 FHAB C[C@@H]1Cc2ccccc2N1Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 8578214 YOEGERCJLNWCLX-LLVKDONJSA-N 359.351 3.893 0 40 FHAB Cc1cc(C)cc(OC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)c1 8830973 AMXVCYRHSFZNJT-UHFFFAOYSA-N 351.358 3.949 0 40 FHAB Cc1cccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3nc(C)c(C)s3)n2)c1 72191867 RLHQAJRRCSELTI-GFCCVEGCSA-N 373.507 3.973 0 40 FHAB COc1ccc(NC(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)cc1 75109223 FRDJNMMRYOYPOZ-LJQANCHMSA-N 363.458 3.510 0 40 FHAB C[C@H](Sc1nnc(Cc2ccccc2)o1)C(=O)N1CCc2ccccc21 21134357 ZTRYEBNUXQEVIE-AWEZNQCLSA-N 365.458 3.730 0 40 FHAB CCN1CCC[C@@H]1CNCc1cccc(OC)c1OCc1ccccc1F 20029443 VWZSBFYGZBKDQS-LJQANCHMSA-N 372.484 3.987 0 40 FHAB COc1ccccc1CN(C[C@H]1CCOC1)C1CC(C)(C)NC(C)(C)C1 36740485 DWHDLFNBJMMUMB-QGZVFWFLSA-N 360.542 3.843 0 40 FHAB Cc1cc(C(=O)Cn2c3c(sc2=O)CCCC3)c(C)n1-c1nccs1 78875082 OYAURIQPTRXAHW-UHFFFAOYSA-N 373.503 3.536 0 40 FHAB C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)COc1ccccc1 36396124 ZXFWJYSPCGSPAR-GOSISDBHSA-N 352.478 3.756 0 40 FHAB Cc1ccc(Nc2nccc([C@H]3CCCN3C(=O)c3ccccc3)n2)nc1 72377506 FELMDFKODGARQD-GOSISDBHSA-N 359.433 3.901 0 40 FHAB Oc1cc(C2CCN(Cc3cccs3)CC2)nc(-c2ccncc2)n1 72392691 VYRTXSBLALGOFD-UHFFFAOYSA-N 352.463 3.685 0 40 FHAB O=C(Nc1ccc(Br)cc1Cl)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 219631786 XCXWNYGUCIDXKV-QQXRRDQMSA-N 370.630 3.564 0 40 FHAB CSc1nccn1-c1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1 40135740 MJBJUKLMKDNYRH-KRWDZBQOSA-N 365.458 3.848 0 40 FHAB Cc1ccnn1-c1ccc(C(=O)NCCCCN2C[C@H](C)C[C@@H](C)C2)cc1 40108512 MSSGMHBFLMPHOW-QZTJIDSGSA-N 368.525 3.669 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222712626 FQPXPGXNUOZIKT-RDTXWAMCSA-N 371.433 3.501 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1cccc(C)c1 223887621 HURMQAIJXJPRTM-QGZVFWFLSA-N 370.468 3.620 0 40 FHAB CC[C@@H](CNC(=S)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1 225633626 NIZDSUCATKLGAB-MRXNPFEDSA-N 369.534 3.944 0 40 FHAB Cc1ccc(CN2C[C@H](C(=O)Nc3ccccc3)C3(CCOCC3)C2)s1 96052255 NSGYEQMYCRFHSG-LJQANCHMSA-N 370.518 3.924 0 40 FHAB O=C(Cn1cccc1-c1nc(-c2ccccc2)no1)N1CCc2ccccc21 98211358 NCKJVFUQJNIEFG-UHFFFAOYSA-N 370.412 3.794 0 40 FHAB Cc1cnc(NC(=O)c2cc(C(C)C)nc(N3CCCCCC3)n2)s1 96192116 PGGPPYMFRSVBDW-UHFFFAOYSA-N 359.499 3.998 0 40 FHAB Cc1c(C)n(C2CCCCC2)c2ncn(Cc3ccc(F)cn3)c(=O)c12 585084770 CMQABWCYDNMPOS-UHFFFAOYSA-N 354.429 3.902 0 40 FHAB Cc1nc(Nc2ccccn2)cc([C@H]2CCCN(Cc3cscn3)C2)n1 257310058 UDNDINUQVASENL-HNNXBMFYSA-N 366.494 3.760 0 40 FHAB Cc1ncsc1CN1CCC[C@H](c2cccc(-c3cncn3C)n2)C1 257206888 BFILSKSXRUAUTI-HNNXBMFYSA-N 353.495 3.627 0 40 FHAB Cc1cnn([C@H]2CCCN(C(=O)Cc3nc(-c4ccccc4)oc3C)C2)c1 109684315 FIHWVQRNMUGGPY-SFHVURJKSA-N 364.449 3.561 0 40 FHAB O=C(NCC[C@@H]1CC1(F)F)Nc1ccc(F)cc1-c1nc(C2CC2)no1 621437605 XBIVVEXCLNBAFU-SNVBAGLBSA-N 366.343 3.920 0 40 FHAB CC(C)c1cc(C(=O)NCCC(=O)Nc2ccncc2)c2ccccc2n1 72280406 KDBMWHZPPVBBMP-UHFFFAOYSA-N 362.433 3.512 0 40 FHAB CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc2[nH]cnc2c1 54084814 FHDWUWONKJKOHJ-UHFFFAOYSA-N 359.433 3.658 0 40 FHAB CCOC(=O)c1cnc2c(Br)cc(C(F)(F)F)cc2c1O 104744010 DHOCGWBQJMRUPY-UHFFFAOYSA-N 364.117 3.898 0 40 FHAB COc1cc(NC(=O)COc2ccccc2C(C)C)cc(OC)c1OC 5577439 SPWILPKLEITNLW-UHFFFAOYSA-N 359.422 3.853 0 40 FHAB COc1ccccc1NC(=O)CSCC(=O)Nc1ccccc1Cl 5556003 PJISYFYCLLLKKY-UHFFFAOYSA-N 364.854 3.659 0 40 FHAB Cc1cccc(NC(=O)[C@H](C)OC(=O)CSc2nc3ccccc3o2)c1 5969820 HCPZGEXTAAFSLD-ZDUSSCGKSA-N 370.430 3.799 0 40 FHAB COc1ccc(-c2n[nH]cc2CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1 12128422 NQRVZNPDBIMNFB-OXJNMPFZSA-N 366.465 3.883 0 40 FHAB CC(C)c1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(F)cc2)on1 12145639 SNDVLZQUWKMNCU-MRXNPFEDSA-N 368.412 3.930 0 40 FHAB O=C(Nc1ccnn1Cc1ccc(Br)cc1)[C@@H]1CC=CCC1 14637547 OJSWKMWGJJUKBF-CQSZACIVSA-N 360.255 3.989 0 40 FHAB Cc1nc(C2CCN(C)CC2)nc2c1CCCN2Cc1ccc(F)cc1 19705754 DKHRBNLNSQOVEC-UHFFFAOYSA-N 354.473 3.686 0 40 FHAB COc1cccc(OC)c1C(=O)OCC(=O)c1ccc2ccccc2c1 2641262 ZOUPCFVWOBFSKY-UHFFFAOYSA-N 350.370 3.897 0 40 FHAB O=C(COC(=O)c1n[nH]c2ccccc12)Nc1ccc(Cl)cc1Cl 6370940 ZCVQQSUSPUPGLI-UHFFFAOYSA-N 364.188 3.665 0 40 FHAB O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccc2c(c1)CCC2 6942253 CSQUNUGYONGDGB-UHFFFAOYSA-N 362.429 3.771 0 40 FHAB CC(C)n1ncc2c(C(=O)NCc3ccco3)cc(-c3ccco3)nc21 10506516 WQJGWGZSZKOCDB-UHFFFAOYSA-N 350.378 3.795 0 40 FHAB CCC(C)(C)C(=O)N1CCC[C@H](N(C)c2ncccc2C(F)(F)F)C1 1889125077 BRSAYFJJZRBDEJ-ZDUSSCGKSA-N 357.420 3.964 0 40 FHAB C[C@@]1(C(=O)N2CCC3(CC2)CCN(c2ccsc2)C3=O)CC=CCC1 1565544540 KMXGFZKIHDAGOV-LJQANCHMSA-N 358.507 3.840 0 40 FHAB Cc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)NC3(C)C)c1 4275254 GRQVDALJVYFTDA-UHFFFAOYSA-N 371.506 3.567 0 40 FHAB COc1ccc(C(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)c(OC)c1 5441814 WGVYDYDXWXKNEF-UHFFFAOYSA-N 368.433 3.781 0 40 FHAB NC(=O)CSc1nc(-c2ccccc2)c(NC(=O)C2CCCC2)s1 12442826 ZOUFNGDZYAMGCR-UHFFFAOYSA-N 361.492 3.516 0 40 FHAB CCC(=O)N1CCCc2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc21 17247764 PAKCAMDEGMISRZ-UHFFFAOYSA-N 368.433 3.645 0 40 FHAB Cc1ccc(-n2nnc(C(=O)NCc3ccccc3)c2-c2cccnc2)cc1 38487465 BDEKVDHOBQESJW-UHFFFAOYSA-N 369.428 3.568 0 40 FHAB O=C(NCc1ccnc(-n2cccn2)c1)c1cc2c(F)cccc2s1 40081257 AQBDFLJYKYZUKI-UHFFFAOYSA-N 352.394 3.551 0 40 FHAB CC(C)c1cc(C(=O)Nc2ccccc2C(=O)NC2CC2)nn1C(C)(C)C 40140970 YVYILHDJCVLNBT-UHFFFAOYSA-N 368.481 3.906 0 40 FHAB CCCCCn1c(=N)n(C[C@@H](O)COc2ccccc2)c2ccccc21 20330026 UBFHLTNHWQMEEL-QGZVFWFLSA-N 353.466 3.552 0 40 FHAB Cc1ccn(C(=O)CCc2nnc(C(C)C)o2)/c(=N/C2CCCCC2)c1 101434843 MDEINSUUSWLSOE-HEHNFIMWSA-N 356.470 3.809 0 40 FHAB Cc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1C 20899422 SHOYAHLBYWTUTF-CYBMUJFWSA-N 355.369 3.899 0 40 FHAB O=C(CCN1CCO[C@H](c2ccc(Cl)cc2)C1)N1CCc2ccccc21 52275965 MKPOBSUSPDWKBV-FQEVSTJZSA-N 370.880 3.693 0 40 FHAB CC(C)C[C@H](NC(=O)[C@H]1CCCN(c2ncccn2)C1)c1ccccc1 32795624 JXENQXCFQAQRFF-OALUTQOASA-N 352.482 3.597 0 40 FHAB Cc1cc(C(=O)N2CCC(CC(N)=O)CC2)sc1-c1ccc(F)cc1 102333813 USSJFWNVZPNIPX-UHFFFAOYSA-N 360.454 3.590 0 40 FHAB CCCc1ccc([C@@H](NC(=O)C2=NN(C)C(=O)CC2)c2cccs2)cc1 32836958 GTWQNEJOZBJKQL-LJQANCHMSA-N 369.490 3.514 0 40 FHAB CCCC[C@@H]1[C@H]2C(=O)N(c3cccc(C)c3)C(=O)[C@@H]2ON1c1ccccc1 102733149 UKOUKZBOOUCPFU-VAMGGRTRSA-N 364.445 3.864 0 40 FHAB CCOC(=O)c1c(NC(=O)CC)sc(C(=O)NC2CCCCC2)c1C 815731 LAMQPFDUOHTJBR-UHFFFAOYSA-N 366.483 3.644 0 40 FHAB CCOC(=O)c1c(NC(=O)COc2ccc(OC)cc2)sc(C)c1C 1009575 BBLIHYYAXIWWGJ-UHFFFAOYSA-N 363.435 3.568 0 40 FHAB Cc1ccc(-c2nnc3sc([C@H]4COc5ccccc5O4)nn23)cc1 1018152 ZCTBPADECTYBBN-OAHLLOKOSA-N 350.403 3.674 0 40 FHAB Cc1c(CCC(=O)O)c(=O)oc2cc(OCc3ccc(F)cc3F)ccc12 2093275 VVENAJXMHOWTJV-UHFFFAOYSA-N 374.339 3.976 0 40 FHAB biogenic CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccc(C)cc4)cc1c32 2202066 GQDMDRXBVHHYGB-UHFFFAOYSA-N 361.397 3.939 0 40 FHAB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)s3)c2C(N)=O)C1 3191657 JQYHLTOPZJACOQ-SSDOTTSWSA-N 354.884 3.939 0 40 FHAB CN(C)S(=O)(=O)c1cccc(CSc2nc3ccccc3s2)c1 3387862 QDGFQGYUGAVXCQ-UHFFFAOYSA-N 364.517 3.839 0 40 FHAB CCOc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2F)C(C)C)cc1 3402616 UCLPIKQCMNLPKG-SFHVURJKSA-N 358.413 3.618 0 40 FHAB O=C1N/C(=C/c2cccn2-c2ccccc2)C(=O)N1Cc1ccccc1F 3659291 ZGYPDFLGNWNNMS-CPNJWEJPSA-N 361.376 3.709 0 40 FHAB CCCC(=O)N1CCN(c2ccc(NC(=O)c3cccc(C)c3)cc2)CC1 4120378 PLSQMSCPVOAYFE-UHFFFAOYSA-N 365.477 3.696 0 40 FHAB O=c1c2cnn(-c3cccc(Cl)c3)c2ncn1Cc1ccccc1Cl 4479168 JHMXPTPIJIPAOC-UHFFFAOYSA-N 371.227 3.937 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccccc2C2=N[C@@H](C(C)C)CO2)cc1 4660812 NYEBDQQKSHSZER-GOSISDBHSA-N 358.463 3.597 0 40 FHAB CCc1cc2cc(OC)ccc2nc1SCC(=O)Nc1nnc(C)s1 4849365 HAAQLMGLDRYWPF-UHFFFAOYSA-N 374.491 3.697 0 40 FHAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 4979655 UCVMWSVHIWMDIY-HUUCEWRRSA-N 366.461 3.670 0 40 FHAB CSCC[C@@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)C(=O)O 5641004 OZWJUQFCMGFZLN-MRVPVSSYSA-N 356.658 3.583 0 40 FHAB CCc1ccc(NC(=O)[C@H](C)OC(=O)/C=C/c2cccc(OC)c2)cc1 5748504 KWCCUIARIWNNHQ-VOMSXAGXSA-N 353.418 3.841 0 40 FHAB C[C@@H](OC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccc(F)cc1Cl 6370764 MXFWTUFOVWBMNY-SECBINFHSA-N 361.760 3.539 0 40 FHAB CCCCC(=O)N(Cc1ccc(C(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 6397752 ZSESKNXBUREGMS-GOSISDBHSA-N 351.512 3.516 0 40 FHAB O=C(NC(=S)Nc1ccc(CN2CCCCC2)cc1)c1ccc(F)cc1 6548107 LJGFIOHSIZSEBK-UHFFFAOYSA-N 371.481 3.938 0 40 FHAB O=C(CSc1nccn(-c2cccc(Cl)c2)c1=O)Nc1ccccc1 6915387 UTWYPWXAPHWYJY-UHFFFAOYSA-N 371.849 3.617 0 40 FHAB O=C(Nc1cccc(F)c1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 6948684 ONAMGBXJUPTOMF-CQSZACIVSA-N 360.816 3.970 0 40 FHAB C[C@H](NC(=O)COc1ccc(-c2nnco2)cc1)c1cc2ccccc2o1 7774132 IURBEGPWCXNTOA-ZDUSSCGKSA-N 363.373 3.739 0 40 FHAB O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1ccc2c(c1)CCC2 7927418 TUEOOBOBUDCIOO-LJQANCHMSA-N 370.518 3.857 0 40 FHAB COc1ccc(C(C)(C)C)cc1NCC(=O)Nc1ccc2c(c1)OCO2 8165466 IXQNVPGSQJZUNJ-UHFFFAOYSA-N 356.422 3.772 0 40 FHAB CN(C)[C@@H](CNC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1 8266878 DFLUGSSLHCVQAN-QFIPXVFZSA-N 374.488 3.782 0 40 FHAB Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CNC[C@H](C)O 8328260 VZHOVFPWFVJADZ-AWEZNQCLSA-N 355.413 3.583 0 40 FHAB COc1cccc(NC(=O)c2ccccc2N2C(=O)c3ccccc3C2=O)c1 8434228 MXNPXFWUAFITAX-UHFFFAOYSA-N 372.380 3.748 0 40 FHAB Cc1nnc(NC(=O)CCC(=O)OCc2ccc(Cl)cc2Cl)s1 8474162 GZBWVCUOJRBMBS-UHFFFAOYSA-N 374.249 3.615 0 40 FHAB Cc1[nH]c2[nH]n(-c3ccccc3)c(=O)c2c(=O)c1Cc1ccccc1Cl 8767586 JYNXPCOKMGVFJX-UHFFFAOYSA-N 365.820 3.560 0 40 FHAB O=C(OCC(=O)N1CCC[C@H]1c1cccs1)c1cc2ccccc2[nH]1 9417726 PIFFJENVJXXTDY-INIZCTEOSA-N 354.431 3.750 0 40 FHAB CC(C)C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1nc2ccccc2[nH]1 10959106 LJJTYQXJEJALQW-INIZCTEOSA-N 351.406 3.809 0 40 FHAB O=C(NC[C@H](O)Cn1c2ccccc2c2ccccc21)NC1CCCCC1 12249863 MVMRTLLFEHQJGW-KRWDZBQOSA-N 365.477 3.787 0 40 FHAB O=C(Cc1cc(-c2ccc(Cl)cc2)on1)Nc1ccc2c(c1)OCO2 12422193 DBUFGOUNGFYASP-UHFFFAOYSA-N 356.765 3.905 0 40 FHAB Cc1noc([C@@H](C)Sc2nc(N)c3c4c(sc3n2)C[C@@H](C)CC4)n1 12539447 VQMHXXYGCVXUOI-JGVFFNPUSA-N 361.496 3.943 0 40 FHAB CCNC(=O)c1cccc(NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)c1 12758385 OWUYDOIAOHSEKE-UHFFFAOYSA-N 368.824 3.732 0 40 FHAB CN(Cc1ccc2ccccc2c1)C(=O)CNC(=O)c1ccccc1Cl 12986881 OXQBHSWCGNMBQO-UHFFFAOYSA-N 366.848 3.882 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@H](C)c1ccc(F)cc1 12997519 FMLIJXBGCPZBMS-CYBMUJFWSA-N 365.408 3.688 0 40 FHAB CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)cc1 13362340 BDLIOIXAXICZSB-UHFFFAOYSA-N 351.399 3.622 0 40 FHAB CC(C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1Cl 13685561 FJEPAIYGJNSFKD-ZDUSSCGKSA-N 360.841 3.884 0 40 FHAB COc1ccc(C(=O)C2CCN(Cc3nc4ccccc4o3)CC2)cc1 14111278 KMNAECNZYVOJDL-UHFFFAOYSA-N 350.418 3.931 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)NCCCc2nc3ccccc3s2)c1C 14199709 BNWHXRSRIJCLSI-UHFFFAOYSA-N 355.463 3.806 0 40 FHAB Cc1cc(C)cc(NC(=O)c2ccc(=O)n(Cc3cccc(F)c3)c2)c1 15882923 RGFDNWYKRBBMCW-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB O=C(Nc1ccc(Br)cc1F)c1ccc2nsnc2c1 15952197 GNYRZYJKRRTCKL-UHFFFAOYSA-N 352.188 3.845 0 40 FHAB O=S(=O)(Oc1cccc2cccnc12)c1ccccc1Br 16089174 GRTWDLYFDYYGNU-UHFFFAOYSA-N 364.220 3.765 0 40 FHAB O=C(NCc1cc(-c2ccc3c(c2)OCO3)on1)c1ccccc1Cl 16838548 ILTNOYRFJOEBBQ-UHFFFAOYSA-N 356.765 3.654 0 40 FHAB Cc1ccc(-n2nc(-c3cnn(C)c3)cc2-c2cnn(C)c2)cc1Cl 17073117 CEVQKTJAXGLHIO-UHFFFAOYSA-N 352.829 3.635 0 40 FHAB Cc1cc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)Cc2cccc(Cl)c2)on1 19121025 QHQDPHPEMWSJHS-INIZCTEOSA-N 370.840 3.933 0 40 FHAB O=C(NCc1ccccc1)[C@@]1(Cc2ccccc2-c2cccnc2)CCNC1 19372652 AQMODGPHQMSAJV-XMMPIXPASA-N 371.484 3.587 0 40 FHAB CCc1nccn1CCC(=O)N[C@H]1[C@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 19523654 IWQBXYMQKMVSRD-GPHNJDIKSA-N 351.494 3.924 0 40 FHAB Cc1ccc(NC(=O)c2cc(=O)n(C)c3ccccc23)c(-c2cc(C)n[nH]2)c1 19714350 PLIZWECBRTYUDH-UHFFFAOYSA-N 372.428 3.798 0 40 FHAB Cc1ccc(-c2nc3c4cnn(-c5ccccc5)c4nc(S)n3n2)cc1 20799495 AAKHJANXFIFMPS-UHFFFAOYSA-N 358.430 3.727 0 40 FHAB COc1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1OC 21904201 HMRBCWRJZFCUDC-UHFFFAOYSA-N 357.450 3.810 0 40 FHAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(N(C)C)nc3)c12 22421294 VZFTVXMHSUYEPR-UHFFFAOYSA-N 363.377 3.505 0 40 FHAB CCCCCOc1cc(S(=O)(=O)NCc2ccccn2)ccc1Cl 27824341 NRMTZCMOUKLXFW-UHFFFAOYSA-N 368.886 3.783 0 40 FHAB O=C(CCSCc1cn2ccccc2n1)NCc1ccc(Cl)cc1 30715610 RAEZHMQBEZGNKU-UHFFFAOYSA-N 359.882 3.927 0 40 FHAB CC(C)[C@H](NC(=O)NCc1ccc2c(c1)OCCO2)c1ccc(F)cc1 32889554 JLXRTCHNFJWSIV-IBGZPJMESA-N 358.413 3.793 0 40 FHAB CC(C)[C@H](C(=O)Nc1ccc(N2CCCC2)nc1)n1cnc2ccccc21 32932571 KTHOGKHOYLQOMQ-HXUWFJFHSA-N 363.465 3.867 0 40 FHAB COc1cccc(CN(C)CCC(=O)Nc2cccc(Cl)c2)c1OC 40025006 GPDSWGZZNMYACV-UHFFFAOYSA-N 362.857 3.818 0 40 FHAB O=C(NCCNc1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1F 40080756 ZLYZMLVVCIWAJP-UHFFFAOYSA-N 361.726 3.735 0 40 FHAB O=C(NCC[C@H]1CCCO1)Nc1cccc(OCCc2ccccc2)c1 40151789 OIOSAKODXXVKSG-LJQANCHMSA-N 354.450 3.999 0 40 FHAB O=C1CCc2ccc(OCCCCOc3ccc(C(=O)O)cc3)cc2N1 40162876 AOIBBXMLOIRGDT-UHFFFAOYSA-N 355.390 3.508 0 40 FHAB Cn1ccnc1COc1ccc(NC(=O)[C@]2(C)CC2(Cl)Cl)cc1 42735296 NSPFNVMVRHDKGU-HNNXBMFYSA-N 354.237 3.522 0 40 FHAB COc1ccc(CNC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 43642809 JQFRVAYSNCWLFF-SFHVURJKSA-N 350.422 3.618 0 40 FHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2ccccc2N(C)C)c(C)c1 44080714 GAVOJUIWSDWLDG-UHFFFAOYSA-N 368.481 3.780 0 40 FHAB Cc1nc(-c2nn3c(-c4ccc(Br)s4)nnc3s2)co1 44903571 UJWSRMIMLSLYOX-UHFFFAOYSA-N 368.241 3.640 0 40 FHAB COc1ccc(-c2noc(-c3ccc(=O)n(Cc4cccc(C)c4)c3)n2)cc1 49007378 OCCQVADVJIZRJH-UHFFFAOYSA-N 373.412 3.931 0 40 FHAB O=c1cc(CN2CCN(c3ccc(F)cc3)CC2)c2cc(Cl)ccc2o1 54147549 MYDBLFGUCKIUKF-UHFFFAOYSA-N 372.827 3.908 0 40 FHAB biogenic O=C(NCCc1ccc(O)cc1)c1cc(-c2ccncc2)nc2ccccc12 54633603 VJTOQMSHZCNQLY-UHFFFAOYSA-N 369.424 3.975 0 40 FHAB C[C@H]1Oc2ccccc2N(CCC(=O)N2CCC[C@H]2C2CCCCC2)C1=O 55599968 VUBGLYKUTPAHFZ-AEFFLSMTSA-N 370.493 3.762 0 40 FHAB O=C(NCc1cccc(N2CCOC2=O)c1)c1[nH]c2ccccc2c1Cl 58202539 OJZZNFFIVFWURT-UHFFFAOYSA-N 369.808 3.708 0 40 FHAB CN(C(=O)Cc1csc(-c2ncccn2)n1)[C@@H]1CCCc2ccccc21 58251395 QNJURYGMJXSPST-QGZVFWFLSA-N 364.474 3.679 0 40 FHAB O=C(c1ccc2c(O)[nH]c(=S)nc2c1)N1CCC[C@H]1Cc1ccccc1 63809229 QQQHYPKGEBLFBS-HNNXBMFYSA-N 365.458 3.845 0 40 FHAB CCOc1cccc(-c2noc(Cc3nnc(-c4ccc(F)cc4)o3)n2)c1 65185495 FNYXQZPNHCAQPJ-UHFFFAOYSA-N 366.352 3.915 0 40 FHAB COc1ccc(-c2n[nH]c(SCc3ncc(C(C)C)o3)n2)c(OC)c1 71904413 DGFSOFNQOKYSHG-UHFFFAOYSA-N 360.439 3.893 0 40 FHAB c1ccc2c(CN3CCOC[C@H]3c3nc(-c4ccncc4)c[nH]3)c[nH]c2c1 72322065 QQHAHBWYYNJYHT-FQEVSTJZSA-N 359.433 3.527 0 40 FHAB biogenic,in-vitro COc1ccc(S(=O)(=O)N2CCC(c3cccs3)CC2)c(C)c1 75157071 BQWDQCXBGLHSDA-UHFFFAOYSA-N 351.493 3.633 0 40 FHAB C[C@H](Sc1ccccc1)C(=O)N(C)Cc1nc(-c2cccs2)no1 78579159 YXHSLWMEXUIRNG-LBPRGKRZSA-N 359.476 3.937 0 40 FHAB CCc1ccccc1O[C@H](C)C(=O)NCc1nc(-c2ccc(C)cc2)no1 78579667 SMLNOYNMZYQLIA-OAHLLOKOSA-N 365.433 3.691 0 40 FHAB C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1nnc(-c2ccccc2)n1C 89920337 KEYLEUDRBQUABH-QAPCUYQASA-N 350.441 3.999 0 40 FHAB COc1ccc(C(=O)/N=c2\sc3cc(Cl)ccc3n2C)cc1OC 100815604 SWSJUYKFTDPSQK-ZPHPHTNESA-N 362.838 3.652 0 40 FHAB Fc1ccccc1[C@@H]1C=C(c2ccc(Br)cc2)Nc2nnnn21 101070172 UANYPENPKQDQJK-HNNXBMFYSA-N 372.201 3.631 0 40 FHAB COc1ccccc1NC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@H]21 102230514 PWGMBDRLVPODKF-QFBILLFUSA-N 351.450 3.843 0 40 FHAB Cc1ccc([C@H]2N=C(Nc3cccc(C)c3)Nc3nc(C)cc(=O)n32)cc1 105330269 WXIQYPALLYLIJH-IBGZPJMESA-N 359.433 3.609 0 40 FHAB C[C@@H](NC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1)[C@H]1C[C@H]2CC[C@H]1C2 107333763 YXDBWHNYDKBNOK-HCCHORAYSA-N 370.493 3.821 0 40 FHAB C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)n1c(S)nnc1-c1cccs1 108071784 CBLIFZBJSWKPKW-GRYCIOLGSA-N 350.513 3.551 0 40 FHAB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)C[C@@H]2Sc3ccccc3NC2=O)o1 108985626 XGWNNLZDOQYTCX-WRSAYESZSA-N 370.474 3.865 0 40 FHAB Cc1nc(CN2CCC(C(=O)N3C[C@@H](C)c4ccccc43)CC2)cs1 109255860 JOIYKVWFBOJXHN-CQSZACIVSA-N 355.507 3.814 0 40 FHAB Cc1cccc(-c2noc(CNC(=O)CCc3ccccc3Cl)n2)c1 220020282 TURGARMUFGGKCP-UHFFFAOYSA-N 355.825 3.947 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1cccc(Cl)c1 222765941 NSZRAELLVIVLBV-ZDUSSCGKSA-N 360.841 3.886 0 40 FHAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1 223562163 SGOHAWKSSLZFIH-OAQYLSRUSA-N 366.505 3.953 0 40 FHAB CC(C)n1c(=O)sc2cc(NC(=O)COc3ccc(F)cc3)ccc21 225176204 UYEXLKRQVIIVCW-UHFFFAOYSA-N 360.410 3.801 0 40 FHAB CCOc1ccc(CNC(=S)Nc2cccc(C(=O)OC)c2C)cc1 225430835 BNWWSSYSXFKZEL-UHFFFAOYSA-N 358.463 3.667 0 40 FHAB COC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1 225572212 ORWUXQYVVVCXSB-CQSZACIVSA-N 353.418 3.758 0 40 FHAB CC[C@@H](NC(=S)Nc1cccc(F)c1)c1ccc(S(C)(=O)=O)cc1 225723712 ANAQUEGEKIUNRB-MRXNPFEDSA-N 366.483 3.667 0 40 FHAB COc1cccc(-c2noc(CNC(=S)Nc3ccc(C)cc3)n2)c1 225821679 VUPODAXZVMNOHR-UHFFFAOYSA-N 354.435 3.540 0 40 FHAB CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2ccc(Cl)cc2C)c1 225967540 VSUUJTJJUHWMEX-UHFFFAOYSA-N 366.870 3.687 0 40 FHAB Cc1ccc(C(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)cc1 244271882 WOVWDYAWQGZJDD-UHFFFAOYSA-N 370.880 3.817 0 40 FHAB C[C@@H]1Nc2ncnn2[C@H](c2cccc(Cl)c2)[C@H]1C(=O)Nc1ccccc1 247984668 YVELEDCTDYXBMH-AFAVFJNCSA-N 367.840 3.590 0 40 FHAB Cc1cccc(CCN(CC(=O)O)C2CCN(c3ccc(F)cc3)CC2)c1 257235648 GYTWGTMKEZSVSX-UHFFFAOYSA-N 370.468 3.732 0 40 FHAB CCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 408543325 CSWBSPBKHQHMLU-UHFFFAOYSA-N 360.479 3.552 0 40 FHAB O=C(NCCCCn1ccnc1)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 576532658 WFJLOMKYZKPRIK-ACDBMABISA-N 352.482 3.784 0 40 FHAB COc1ccccc1-c1n[nH]c2c1CCN(C(=O)C1CCCCC1)CC2 585110367 LDLUQSMBLPBNPK-UHFFFAOYSA-N 353.466 3.593 0 40 FHAB CO[C@H]1CCN(Cc2ccccc2C(=O)O)C[C@H]1Cc1ccc(F)cc1 585275391 AGOUMNSTTQAKIH-XLIONFOSSA-N 357.425 3.604 0 40 FHAB O=C1C[C@@H](c2cccc3ccccc23)c2c(O)nc(N3CCCCC3)nc2N1 670416185 WXYSSZOHRYYEJP-KRWDZBQOSA-N 374.444 3.800 0 40 FHAB Fc1cc(F)cc(CN2CC[C@@H](Oc3ccncc3Br)C2)c1 1888864248 YUAWJFNMFYKORP-CQSZACIVSA-N 369.209 3.776 0 40 FHAB O=C1CO[C@]2(CCCN(C3CCCCCC3)CC2)CN1c1ccccc1 2037850013 HKVRYCJWVSBVFU-QFIPXVFZSA-N 356.510 3.997 0 40 FHAB O=C(c1ccccc1Cl)N1CCN(C(=O)c2ccccc2Cl)CC1 831036 FMVGYZXYYDCOQN-UHFFFAOYSA-N 363.244 3.592 0 40 FHAB CCNC(=S)N(Cc1ccco1)Cc1cc2cc(CC)ccc2[nH]c1=O 916779 VCVCOKJLUFOTRG-UHFFFAOYSA-N 369.490 3.580 0 40 FHAB O=C(NC(=S)Nc1ncc(C(F)(F)F)cc1Cl)c1cccs1 943982 WRUABBCLDXVHGP-UHFFFAOYSA-N 365.789 3.942 0 40 FHAB COc1cc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(C)=O 993558 PUCVPTJKLQZMQF-OQLLNIDSSA-N 371.776 3.618 0 40 FHAB CCOC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 994365 DHIXDIUQDKAVOW-UHFFFAOYSA-N 374.245 3.971 0 40 FHAB COc1ccc(-c2nnc(-c3ccc(Br)o3)o2)cc1OC 994777 CAJCHFLRAUBNQL-UHFFFAOYSA-N 351.156 3.776 0 40 FHAB CC(C)SC(C[C@H](O)[C@H](O)COC(=O)c1ccccc1)SC(C)C 1593142 ABJDSNOICVLRLJ-JKSUJKDBSA-N 372.552 3.565 0 40 FHAB CCc1ccc(-n2cc3c(c2-c2ccc(C)cc2)c(=O)n(C)c(=O)n3C)cc1 2349365 RJXKCXVVPDCNMD-UHFFFAOYSA-N 373.456 3.566 0 40 FHAB COc1ccc(C(=O)NCc2nc3ccccc3n2CC(C)C)cc1OC 2721283 YOOWXVDTSIAIDX-UHFFFAOYSA-N 367.449 3.640 0 40 FHAB CCN(CC)CCOC(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1 3208401 LQBFKWWICDAFMT-VAWYXSNFSA-N 372.490 3.899 0 40 FHAB COc1ccc(C(=O)CNc2ccc(I)cc2)cc1 3296552 BIYNEJFFQWSETO-UHFFFAOYSA-N 367.186 3.595 0 40 FHAB CSc1ccc(Cl)c(C(=O)OCC(=O)NCc2cccs2)c1 3474325 QTGBMYYHRFUWTC-UHFFFAOYSA-N 355.868 3.597 0 40 FHAB Cc1nc(SCC(=O)Nc2cc(C)on2)c2c3c(sc2n1)CCCC3 3495418 YDIXFXKLOIDVCZ-UHFFFAOYSA-N 374.491 3.906 0 40 FHAB C[C@H](NC[C@H]1C(=O)O[C@@H]2CC3=CCC[C@H](C)[C@@]3(C)[C@H](O)[C@H]12)c1ccccc1 4028412 YSIINEYFHDVBCW-DOGNXMAMSA-N 369.505 3.622 0 40 FHAB O=C(CSCCc1ccccn1)Nc1ccc(Br)cc1 4123378 LRRATNAODCVJHE-UHFFFAOYSA-N 351.269 3.759 0 40 FHAB COc1ccc([C@H]2SC[C@H]3C(=O)N(c4cccc(C)c4)C(=O)N32)cc1 4723400 HSPWABTZKCKEMH-FUHWJXTLSA-N 354.431 3.586 0 40 FHAB COC(=O)c1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(c2cccc(Cl)c2)C(=O)N1 4852849 XNFGFTUWPDVFST-KXBFYZLASA-N 372.808 3.896 0 40 FHAB CCn1c(SCC(=O)N2c3ccccc3C[C@H]2C)nnc1-c1ccco1 5046064 CHFIPSDPIVYMJF-CYBMUJFWSA-N 368.462 3.628 0 40 FHAB O=C(NCc1nnc(SCc2ccccc2Cl)o1)c1ccccc1 5107339 BMMCUBCADGQCCO-UHFFFAOYSA-N 359.838 3.945 0 40 FHAB Cc1cccc(-n2ncc3c(=O)n(C/C=C/c4ccccc4)cnc32)c1C 5169258 TZZQLJCPXXVCEM-YRNVUSSQSA-N 356.429 3.912 0 40 FHAB O=C(OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)c1ccco1 5171305 JSQJLFCKSPKYEL-UHFFFAOYSA-N 352.371 3.602 0 40 FHAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(C)c2ccccc2)cc1 5250275 RRAZSIOMLMZFKM-IBGZPJMESA-N 365.433 3.646 0 40 FHAB O=C(N[C@H](CC(=O)N1CCCC1)c1ccccc1)c1ccccc1Cl 5392398 MVLVFORNFYTCPV-GOSISDBHSA-N 356.853 3.824 0 40 FHAB O=C(COc1ccc2ccccc2c1)Nc1cccc(N2CCCC2=O)c1 5440448 YEXAAAWRSGAHMM-UHFFFAOYSA-N 360.413 3.984 0 40 FHAB CCCCn1nc(C(=O)NCc2ccc(Cl)cc2)c2ccccc2c1=O 6204327 RZUCHTPSDDWNJW-UHFFFAOYSA-N 369.852 3.780 0 40 FHAB COc1ccc(CN(C(=O)c2ccco2)[C@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1 6576889 SUTXCIMFRCHMFF-FCEWJHQRSA-N 356.466 3.659 0 40 FHAB Cc1cccn2c(=O)cc(CN(C)Cc3cccc(Cl)c3Cl)nc12 6582895 ZQQMNQGKDFRVOD-UHFFFAOYSA-N 362.260 3.942 0 40 FHAB CCOc1ccc(C(=O)N[C@H](C(=O)NC2CCCCCC2)C(C)C)cc1 6778567 CIFVULJETPCHSE-IBGZPJMESA-N 360.498 3.679 0 40 FHAB COc1cc(CNC(C)(C)CO)cc(Cl)c1OCc1ccccc1F 6883117 NKGHEXJMVMNDOJ-UHFFFAOYSA-N 367.848 3.927 0 40 FHAB C[C@H](OC(=O)c1cc(-c2ccccc2)[nH]n1)C(=O)c1c[nH]c2ccccc12 7028652 SBFZLYFUTXYXRQ-ZDUSSCGKSA-N 359.385 3.986 0 40 FHAB CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3ccc(=O)oc3c2)cc1 7634433 OOJKZAUEYSBHCF-ZDUSSCGKSA-N 353.374 3.598 0 40 FHAB CCOc1ccccc1N1C[C@H](C(=O)Oc2ccc(C)c(C)c2)CC1=O 7929381 PHCNKTNFQWJWPG-MRXNPFEDSA-N 353.418 3.661 0 40 FHAB CC(C)c1ccccc1NC(=O)C[C@@H](C)NCc1cn2ccccc2n1 7985278 KEOPHVBCMOYRJP-MRXNPFEDSA-N 350.466 3.965 0 40 FHAB C[C@@H](Sc1nnnn1C1CC1)C(=O)Nc1ccccc1-c1ccccc1 8231267 KLCXISUELQDETN-CYBMUJFWSA-N 365.462 3.794 0 40 FHAB CCCc1cc(O)nc(S[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)n1 8723955 FLDYWQMVNCDKQD-LBPRGKRZSA-N 361.467 3.646 0 40 FHAB Cc1ccccc1-n1cnnc1SCC(=O)N1CC[C@@H]2CCCC[C@H]2C1 9364173 ADORKIIAVZKMON-IRXDYDNUSA-N 370.522 3.707 0 40 FHAB COc1ccc(-c2[nH]nc3nc(-c4ccccc4O)cc(C(=O)O)c23)cc1 9406685 PYZBNQIUGYQMNZ-UHFFFAOYSA-N 361.357 3.704 0 40 FHAB O=C(COc1ccc(F)cc1)Nc1nonc1-c1ccc2c(c1)CCCC2 9419093 WPWISBCIVSBAFH-UHFFFAOYSA-N 367.380 3.772 0 40 FHAB COc1cc2cc([C@@H]3CC(c4ccco4)=NN3)c(Cl)nc2cc1OC 9517144 SMJBXMUZCNIPAS-ZDUSSCGKSA-N 357.797 3.937 0 40 FHAB C[C@H](NC(=O)c1cc(Br)ccc1F)c1nc2ccccc2[nH]1 9885279 HYMGURVQUQNQNV-VIFPVBQESA-N 362.202 3.956 0 40 FHAB CSc1ccc(CC(=O)Nc2nc3cc4c(cc3s2)OCO4)cc1 10252413 RQGIWFSWOFRJNA-UHFFFAOYSA-N 358.444 3.928 0 40 FHAB CC[C@H]1CCc2sc(-c3nnc(S[C@H](C)C(=O)OC)n3C)cc2C1 10830339 OLELZENHQSLKRE-MNOVXSKESA-N 365.524 3.712 0 40 FHAB Cc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1-n1cccc1 11328490 VBWFOYRZVUVSMY-UHFFFAOYSA-N 361.445 3.875 0 40 FHAB COc1ccccc1Nc1ncccc1C(=O)OCc1nccn1C(F)F 11329239 YWZHDOYPSNTSBQ-UHFFFAOYSA-N 374.347 3.782 0 40 FHAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c3ccccc23)cc1 12291082 KXZMPFDXBRWLGZ-UHFFFAOYSA-N 355.415 3.736 0 40 FHAB Cc1nc(C)c(C(=O)N2[C@H]3CC[C@H](C3)[C@H]2COc2ccc(F)cc2)s1 12408081 YYWNUSJYMHKMSA-UKPHBRMFSA-N 360.454 3.971 0 40 FHAB COc1cc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc(OC)c1 12562093 HCBGLLZGOJAOPI-UHFFFAOYSA-N 355.419 3.804 0 40 FHAB O=C(c1ccc2ccccc2c1)N1CCN(C(=O)c2ccccc2F)CC1 12778998 FILWCEHNYIUUCV-UHFFFAOYSA-N 362.404 3.577 0 40 FHAB O=C([C@H]1Cc2ccccc2O1)N1CCC[C@@H]1c1nc2ccccc2s1 12925925 LHEDJTXNRZDUEB-NVXWUHKLSA-N 350.443 3.964 0 40 FHAB CCCCN1C(=O)CC[C@H](C(=O)NC2CCCC2)[C@@H]1c1ccccc1OC 12973952 AAHONZVQOHQDFB-RXVVDRJESA-N 372.509 3.834 0 40 FHAB CCN(CC(=O)NCc1cccs1)Cc1cccc(Br)c1 12982379 ZUNKPBGRAMVVGZ-UHFFFAOYSA-N 367.312 3.649 0 40 FHAB O=C(CC1(C(=O)O)CCCCC1)Nc1ccccc1C(=O)NC1CCCC1 13469361 KSEDEKJZWSNQBR-UHFFFAOYSA-N 372.465 3.723 0 40 FHAB O=C(CCn1ccc2ccc(Br)cc21)NCc1ccccn1 13720252 SKBACFPVLVRKIT-UHFFFAOYSA-N 358.239 3.505 0 40 FHAB O=C1NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N1 13940165 KKCFXBNENCBJDP-NVNXTCNLSA-N 363.200 3.753 0 40 FHAB COc1ccc(CNC(=O)CCc2ncc(-c3c(F)cccc3F)o2)cc1 14093067 NVDLOFJWPKUMON-UHFFFAOYSA-N 372.371 3.877 0 40 FHAB O=C(CN(Cc1ccco1)C(=O)/C=C/c1ccco1)Nc1ccccc1 14115226 DRQFWVLULZEPRY-ZHACJKMWSA-N 350.374 3.553 0 40 FHAB CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1nc2ccccc2o1 14138836 FOSRLCXYRCSIGS-UHFFFAOYSA-N 363.339 3.917 0 40 FHAB CCC(C)(C)C1CCC(NC(=O)CCc2c(C)nc3ncnn3c2C)CC1 14190444 DCPNQDLLEBKOJH-UHFFFAOYSA-N 371.529 3.785 0 40 FHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCCc1cccs1 14594975 LOKUBPLWYZURGM-UHFFFAOYSA-N 363.435 3.513 0 40 FHAB COc1cc(C(=O)Nc2ccccc2N2CCCC2=O)ccc1OC(C)C 16105523 OCPFFBZFRICUEK-UHFFFAOYSA-N 368.433 3.862 0 40 FHAB CN(C)c1ncccc1CN1CCC[C@@H](Cc2nc3ccc(F)cc3[nH]2)C1 19715721 YODFCZRDNAFUKR-HNNXBMFYSA-N 367.472 3.618 0 40 FHAB O=C(N[C@@H](N1CCCCC1)C(Cl)(Cl)Cl)c1ccc(F)cc1 19925261 PPGLUPYFKYZGQF-ZDUSSCGKSA-N 353.652 3.738 0 40 FHAB O=C(Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccc2c(c1)OCO2 20140699 DYEUDJHANNSNNS-UHFFFAOYSA-N 354.145 3.673 0 40 FHAB CN1C(=O)C[C@H](C(=O)Nc2ccccc2Br)[C@H]1c1ccccc1 20736923 FKSZVNCDGMBMRK-SUMWQHHRSA-N 373.250 3.607 0 40 FHAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1 21912445 PCVQOIKRLIJJSG-UGSOOPFHSA-N 360.404 3.597 0 40 FHAB Cc1ccc(-c2ccnc3nc(N4CCc5ccccc54)[nH]c(=O)c23)cc1 22606811 XHAQZTOCFMWGSV-UHFFFAOYSA-N 354.413 3.988 0 40 FHAB O=C(Nc1ccccc1F)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 22990720 MZRGPCXCXYHKBM-GOSISDBHSA-N 364.376 3.625 0 40 FHAB CS(=O)(=O)Nc1ccccc1NC(=O)Cc1c(Cl)cccc1Cl 24881894 ADTBKUJIVAEQNZ-UHFFFAOYSA-N 373.261 3.546 0 40 FHAB COc1ccc([C@@H](CNC(=O)c2cccc(OC)c2)N2CCCCC2)cc1 27667710 JIFVJIKFDTWTJY-OAQYLSRUSA-N 368.477 3.661 0 40 FHAB biogenic Cc1cc(C)c2oc(C(=O)NC[C@@H](c3cccs3)N(C)C)cc(=O)c2c1 28288305 SVHDJUNXGKKDJG-HNNXBMFYSA-N 370.474 3.504 0 40 FHAB Cc1ccc(Cn2nccc2NC(=O)c2coc3ccc(C)cc3c2=O)cc1 28404586 WISOHBONKXROND-UHFFFAOYSA-N 373.412 3.907 0 40 FHAB CC(=O)[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 28467425 SGASZZNXZRENLB-FUHWJXTLSA-N 371.234 3.908 0 40 FHAB COC(=O)c1ccc(CN(C)C(=O)c2ccccc2Br)cc1 30210747 LLEVQHWVKUZREH-UHFFFAOYSA-N 362.223 3.508 0 40 FHAB CC(C)(C)C[C@H](NC(=O)CNC(=O)Cc1ccccc1)c1ccccc1 32380365 QODSWDOHCKRMLT-IBGZPJMESA-N 352.478 3.639 0 40 FHAB COCCCNC(=O)c1ccc(COc2cccc(Cl)c2Cl)o1 32610808 YHBIYXXAGJGHAJ-UHFFFAOYSA-N 358.221 3.932 0 40 FHAB O[C@H]1Cc2ccc3ccccc3c2N(Cc2nc(-c3cccs3)no2)C1 32819457 DTWCQWBRSFMSDV-HNNXBMFYSA-N 363.442 3.875 0 40 FHAB c1cn(-c2ccc(-c3noc([C@@H]4CCCN4C4CCCCC4)n3)cn2)cn1 35425737 ABQVCZYYENUVRP-KRWDZBQOSA-N 364.453 3.787 0 40 FHAB biogenic,in-vitro CC(C)C(=O)Nc1cc(-c2nc(-c3ccc4c(c3)OCO4)cs2)nn1C 35683173 DTLVVUVHHAXGCQ-UHFFFAOYSA-N 370.434 3.534 0 40 FHAB CC(=O)Nc1ccc(NCC(=O)N[C@@H]2CCCC[C@H]2C)c(C(F)(F)F)c1 36391573 HEJJYSQUGSPTSP-IAQYHMDHSA-N 371.403 3.771 0 40 FHAB Cc1cccc(CC(=O)Nc2nnc(-c3cccc(Br)c3)o2)c1 36681435 GRFDKNMFAOJIKN-UHFFFAOYSA-N 372.222 3.989 0 40 FHAB Cc1cc([C@@H](C)NC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)c(C)s1 40074295 VBWHQMYCXOOSCM-KDOFPFPSSA-N 358.507 3.997 0 40 FHAB CC(C)c1noc(CCC(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C)n1 40156074 JFPPTELYGQVUAC-ZDUSSCGKSA-N 352.438 3.753 0 40 FHAB COC(=O)c1cc(NC(=S)NCc2ccc(OC)cc2)ccc1Cl 44385560 IAWTYOBXNRCWFV-UHFFFAOYSA-N 364.854 3.622 0 40 FHAB Cc1cccc2c1N(C(=O)[C@H]1CCCN(C(=O)c3cccs3)C1)CCC2 44403577 GIMWIMCJPQPANO-KRWDZBQOSA-N 368.502 3.888 0 40 FHAB O=C(NCCCNc1ccccn1)Nc1nnc(C2CCCCC2)s1 47380603 GHBUPRWYUFEJRR-UHFFFAOYSA-N 360.487 3.605 0 40 FHAB Cc1nn(C)c(C)c1-c1ccnc(NC2CC(C)(C)N(C)C(C)(C)C2)n1 48422259 KLJCNZJKQCBFKP-UHFFFAOYSA-N 356.518 3.557 0 40 FHAB CCn1c(CNC(=O)c2oc3ccccc3c2COC)nc2ccccc21 52553011 XNISNXNZWOSQEC-UHFFFAOYSA-N 363.417 3.879 0 40 FHAB Cc1nc(S[C@@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)oc1C 55238236 DNJFXKFKBAWUKJ-LBPRGKRZSA-N 359.451 3.536 0 40 FHAB C[C@H]1CN(C(=O)c2cc(-c3cccs3)on2)[C@@H](C)CN1Cc1ccco1 57796534 MLVKHBXRKFEHSP-KBPBESRZSA-N 371.462 3.731 0 40 FHAB COC(=O)c1ccc(C(=O)Nc2nc3cc(F)c(F)cc3s2)s1 58113166 SPGUPHFYZRXPCJ-UHFFFAOYSA-N 354.359 3.675 0 40 FHAB Cc1cc(NC(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)no1 58182513 IHJUEVIPLZUQIF-GOSISDBHSA-N 361.405 3.781 0 40 FHAB CC1CCN(C(=O)C2CCN(C(=O)c3cc(Cl)ccc3F)CC2)CC1 58192857 HYXCGEAOHHTPNP-UHFFFAOYSA-N 366.864 3.590 0 40 FHAB CCCCOc1ccc(NC(=O)c2ccc(CNC(N)=O)cc2)c(C)c1 58225466 SRNDRNXXCFHJDA-UHFFFAOYSA-N 355.438 3.595 0 40 FHAB CCOC1CCN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)CC1 58407685 CVSUTBMOLUYRCK-UHFFFAOYSA-N 361.445 3.938 0 40 FHAB O=C(O)c1cc(S(=O)(=O)Nc2cccc(F)c2)cc(Cl)c1Cl 58488275 QKFOUPAUKSYXTD-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB CC(C)(C)c1ccc(O)c(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)c1 60613151 FWPZHESPNSVKNF-UHFFFAOYSA-N 373.497 3.556 0 40 FHAB CCc1nc2cc3c(cc2n1CC(=O)Nc1cc(C)cc(C)c1)OCCO3 64795131 NTJWEKXLHSQUPB-UHFFFAOYSA-N 365.433 3.625 0 40 FHAB Cc1cc(N)c2oc(-c3cccc(I)c3)nc2c1 70461428 SNUHGVCBYVGUEJ-UHFFFAOYSA-N 350.159 3.990 0 40 FHAB COc1cc(C(=O)N2CCc3ccccc3C2)nc2c(C)cc(F)cc12 72328778 KXQLMMXNMDSTGP-UHFFFAOYSA-N 350.393 3.889 0 40 FHAB O=C(CCc1nc(-c2cccc(F)c2)no1)NCc1ccccc1Cl 72332157 WGKDPRJAYPIANE-UHFFFAOYSA-N 359.788 3.778 0 40 FHAB CCc1nccn1-c1nccnc1[C@@H]1CCCN(Cc2ccc(F)cc2)C1 72350506 KILBUPKPLHTYPZ-QGZVFWFLSA-N 365.456 3.743 0 40 FHAB CN1CCN(Cc2nnc(-c3ccccc3Cl)o2)c2ccc(F)cc21 72857481 WHNFJVVTUXYRJE-UHFFFAOYSA-N 358.804 3.986 0 40 FHAB Cc1cc(C(=O)/C=C/c2ccc(OCC(=O)O)c([N+](=O)[O-])c2)cc(C)c1F 78870097 WGIYPBPXBVSKQW-HWKANZROSA-N 373.336 3.710 0 40 FHAB CCOC(=O)c1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C 79045369 ZRKQEIUACDKVOZ-UHFFFAOYSA-N 368.368 3.936 0 40 FHAB Cc1cccc2sc(N3CC(OC(=O)[C@H](C)Oc4ccccc4)C3)nc12 85472279 OZFPFNPYWLQDDA-AWEZNQCLSA-N 368.458 3.804 0 40 FHAB CC(C)(C)OC(=O)N1CCCC[C@H](NC(=O)Nc2ccccc2F)C1 89662189 COOACYJIKBVTDB-ZDUSSCGKSA-N 351.422 3.737 0 40 FHAB CCCc1noc2nc(C3CC3)cc(C(=O)N[C@H](CC)[C@@H]3CCCO3)c12 89960431 CUMUKVSQQAMQGE-PBHICJAKSA-N 357.454 3.740 0 40 FHAB CN1C(=O)c2cc(NC(=O)c3cccs3)ccc2Oc2ncccc21 95472225 FOUAKHTYBHBXBA-UHFFFAOYSA-N 351.387 3.778 0 40 FHAB CC(C)C[C@@H]1C[C@@H](NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)CCO1 95991258 GBDRYSFGGLBQCB-ZWKOTPCHSA-N 369.465 3.938 0 40 FHAB C[C@@H]1C[C@H](Nc2ccccc2N2CCC(O)CC2)CN1Cc1ccccc1 95997203 GLCWBGLYXDCCKI-QUCCMNQESA-N 365.521 3.723 0 40 FHAB CC1(C)OC(=O)C[C@@H]1C(=O)Nc1cccc2c1ccn2Cc1ccccc1 96116668 UFRBOXZAKOBHRA-QGZVFWFLSA-N 362.429 3.970 0 40 FHAB CN(C[C@H]1CCCC[C@@H]1O)C(=O)c1cn(-c2ccccc2)nc1C(C)(C)C 97233344 NOABGILNOSGZAO-APWZRJJASA-N 369.509 3.793 0 40 FHAB O=C(COc1ccccc1F)Nc1ccsc1-c1nc(C2CC2)no1 206666952 YIEUAVFSNFCNCG-UHFFFAOYSA-N 359.382 3.832 0 40 FHAB Cc1cc(C)cc(OCC(=O)Nc2nnc(SCC(C)C)s2)c1 223772648 ZFIIHRCRVSHMJO-UHFFFAOYSA-N 351.497 3.921 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)/C=C/c1ccc(OC)c(OC)c1OC 225417707 NHALMOZHMNHQGY-YPDDLIOESA-N 371.433 3.612 0 40 FHAB Cc1cc(NC(=S)NCc2ccccc2F)ccc1N1CCCC1=O 225836141 GFBNJYQSOUXRTN-UHFFFAOYSA-N 357.454 3.748 0 40 FHAB CCOCCOc1ccc(NC(=O)C2(OCC)CCCCCC2)cn1 225899476 JHDVQVPLMHSOGE-UHFFFAOYSA-N 350.459 3.565 0 40 FHAB Cc1cncc(CO[C@@H]2CCOC3(C2)CN(Cc2ccccc2C)C3)c1 253602374 AGBOFALXEHKNPP-OAQYLSRUSA-N 352.478 3.649 0 40 FHAB Cc1nc(Nc2ccccn2)cc([C@@H]2CCCN(CC3CCOCC3)C2)n1 257291060 QFLALJLXQOLARE-GOSISDBHSA-N 367.497 3.530 0 40 FHAB CC(C)c1ncc(C(=O)N2C[C@H](COc3ccccc3)OC(C)(C)C2)s1 329162882 ZWZCHDGFAABOBZ-MRXNPFEDSA-N 374.506 3.965 0 40 FHAB O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)c1ccc(OC(F)(F)F)cc1 390828628 SKXIYEDLRJSLMX-HNNXBMFYSA-N 369.343 3.603 0 40 FHAB Cc1cc(-c2noc(CN[C@@H]3CCc4ccccc4OC3)n2)ccc1F 585080171 ASNJAGAZFBYHPJ-MRXNPFEDSA-N 353.397 3.668 0 40 FHAB CC(=O)N1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 585263145 OPEVLJBHLPTVHB-AWEZNQCLSA-N 354.841 3.776 0 40 FHAB CSCc1c(C(=O)N2CCC[C@@]3(CCN(C)C3)C2)oc2ccccc12 597717108 ZALIWDDCEYOHOF-FQEVSTJZSA-N 358.507 3.854 0 40 FHAB C[C@H](CNC(=O)NCCOc1ccc(C(C)(C)C)cc1)c1ccncc1 674137050 AYJONRHZIKLOFE-MRXNPFEDSA-N 355.482 3.861 0 40 FHAB O=C(NCC1([C@@H]2CCCCO2)CCC1)c1cc(Br)cs1 1587286875 HRZFJWLDYOGRHE-ZDUSSCGKSA-N 358.301 3.980 0 40 FHAB CC(C)COC(=O)N1CCC([C@@H]2CCCCN2Cc2cccnc2)CC1 2056226652 WWGJUUKKJLGEPA-FQEVSTJZSA-N 359.514 3.941 0 40 FHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1ccno1)CC2 23865791 QNECOZKQXUSCQT-OAQYLSRUSA-N 350.418 3.840 0 40 FHAB Cc1ccc(NCc2nnc(SCC(=O)OC3CCCCC3)n2C)cc1 905019 SEUSLNSIPJJWJP-UHFFFAOYSA-N 374.510 3.704 0 40 FHAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(C[C@@H](O)c1ccc(Cl)cc1)C2=O 25044764 OOUVZXXMFQEFFT-PEELUZDISA-N 364.873 3.510 0 40 FHAB Cc1cc(S(=O)(=O)NCc2ccccc2Cl)ccc1Br 6790647 FBZBSSITOQKOGY-UHFFFAOYSA-N 374.687 3.889 0 40 FHAB COc1ccc(NC(=O)COCc2cc(-c3cccs3)on2)cc1OC 6876512 CYZZECWCPXTIJB-UHFFFAOYSA-N 374.418 3.576 0 40 FHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 7055239 DCUYTYYLNTVCBA-UHFFFAOYSA-N 373.352 3.683 0 40 FHAB COc1cc(C)c(N[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1OC 7057810 MNGZLIAANFSNGU-SNVBAGLBSA-N 368.355 3.869 0 40 FHAB CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2cccs2)c1 10031165 ZFBCLJPOCXBIKS-UHFFFAOYSA-N 366.508 3.648 0 40 FHAB CCOC(=O)[C@@H](CNC(=O)Nc1cccc(Cl)c1)Cc1ccccc1 58155724 LXHQCYDRNVTZIC-OAHLLOKOSA-N 360.841 3.884 0 40 FHAB CCN(C(=O)C[C@@H](NC(N)=O)c1cccs1)[C@H](C)c1ccc(F)cc1 58244115 AJMZYIZHQXOVKJ-IUODEOHRSA-N 363.458 3.596 0 40 FHAB Cc1ccccc1Cc1nnc2sc([C@@H]3COc4ccccc4O3)nn12 2182925 IRRVUCJJYIFLHN-INIZCTEOSA-N 364.430 3.598 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)c2ccc(Br)cc2)cc1 10542514 RZGJHHKKEUISFI-GFCCVEGCSA-N 364.239 3.655 0 40 FHAB Cc1ccc(OCC(=O)Nc2nnc(C3CC3)s2)c(Br)c1 9750006 QOOYQNOKXMJFIX-UHFFFAOYSA-N 368.256 3.504 0 40 FHAB O=c1c2c3c(sc2ncn1[C@H]1CCc2ccccc2N=C1O)CCC3 36353485 QOLGXMFDSHOPIT-AWEZNQCLSA-N 351.431 3.722 0 40 FHAB CC[C@@]1(C)Cc2ccccc2-c2nc(-c3ccccc3)n(CCO)c(=O)c21 2383877 QWRPVSPLIJKIAM-QHCPKHFHSA-N 360.457 3.793 0 40 FHAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1F 11526118 ZXTYXEYWMCERNE-UHFFFAOYSA-N 354.337 3.932 0 40 FHAB Cc1noc(C)c1CCC(=O)NCc1ccc(CN2CCC(C)CC2)cc1 29342309 GCSYRRTVAOQMAF-UHFFFAOYSA-N 369.509 3.772 0 40 FHAB CC(C)c1ccccc1NC(=O)COC(=O)c1cc(=O)c2ccccc2o1 3262204 VRUZHMKBGUGSGC-UHFFFAOYSA-N 365.385 3.712 0 40 FHAB COCc1nn2c(O)cc(Cc3ccc(F)cc3)nc2c1-c1ccccc1 100776122 YKYFCJNTVQTNSO-UHFFFAOYSA-N 363.392 3.978 0 40 FHAB CCOc1ccc(-c2nsc(NC(=O)COc3cccc(C)c3)n2)cc1 28287434 FCDKTGKNNNCNTL-UHFFFAOYSA-N 369.446 3.930 0 40 FHAB O=C(COc1ccccc1F)Nc1ccc2nn(-c3ccccc3)nc2c1 20609914 COLJBOMDHUBKJF-UHFFFAOYSA-N 362.364 3.577 0 40 FHAB CCOc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1OCC 3252249 OQHWQOGALKLHSJ-HNNXBMFYSA-N 371.433 3.518 0 40 FHAB CC(=O)Nc1ccc(C(=O)N[C@H](C)c2cccc(Br)c2)cc1 27745759 JRZABNHFEYDOQC-LLVKDONJSA-N 361.239 3.899 0 40 FHAB Cc1cc(C)n2nc(C(=O)Nc3ccc(Oc4ccccc4)cc3)nc2n1 3355748 PROCKISJOHQULL-UHFFFAOYSA-N 359.389 3.786 0 40 FHAB CCCOc1ncccc1CNC(=O)c1c(-c2ccc(F)cc2)noc1C 48302195 IKTJJTTUHYWJAJ-UHFFFAOYSA-N 369.396 3.903 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc2c(c1)OCCO2 3460005 FEIVYBWURDSWQS-UHFFFAOYSA-N 369.417 3.685 0 40 FHAB CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc(C)c(C)c1 3427701 FYNDLZQYLGYMGC-UHFFFAOYSA-N 371.506 3.534 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccc2C(F)(F)F)c1C 3587630 NHTMZCRZNDXAKG-UHFFFAOYSA-N 367.323 3.893 0 40 FHAB CCCCN1C(=O)CC[C@@H](C(=O)NC2CCCC2)[C@H]1c1ccccc1OC 12973958 AAHONZVQOHQDFB-WIYYLYMNSA-N 372.509 3.834 0 40 FHAB CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(C)cc2)N2C(=O)[C@@H](C)SC2=N1 3904334 WJQXZXCWWWSKHR-PBHICJAKSA-N 372.490 3.843 0 40 FHAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@H](C)[C@H]3CCCO3)c12 49674623 SBQCBPZAYSJTFJ-SJKOYZFVSA-N 370.497 3.669 0 40 FHAB COc1ccc(/C=C2\SC(=O)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1 4292085 HXUCMTONVTXJSL-YBEGLDIGSA-N 369.398 3.630 0 40 FHAB Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H](C(F)(F)F)C2)no1 14083103 VCVQOUHTBKKBJT-ZBFHGGJFSA-N 367.371 3.937 0 40 FHAB O=C(CNc1ccc(F)cc1)N1N=C(c2ccco2)C[C@H]1c1ccco1 65521690 GRAJQKZDBKIYRL-INIZCTEOSA-N 353.353 3.802 0 40 FHAB O=C1OCC[C@H]1Sc1nnc(Nc2ccccc2C(F)(F)F)s1 9336022 YKVKGZXCIJMAII-SECBINFHSA-N 361.370 3.708 0 40 FHAB COc1ccc2c(c1)N(C(=O)c1ccc(-n3cc(C)cn3)cc1)C[C@H](C)O2 172714096 MDLCZMDRWAIEMV-HNNXBMFYSA-N 363.417 3.617 0 40 FHAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)NC1CCCC1 14161755 UTYIGNQIHHWRTP-UHFFFAOYSA-N 358.269 3.906 0 40 FHAB c1ccc(N2CCN(c3ncnc4sc5c(c34)CCCCC5)CC2)nc1 6510551 JCAOFFUUUZVRQP-UHFFFAOYSA-N 365.506 3.682 0 40 FHAB O=C(CNc1cccc(Br)c1)NCc1ccc(Cl)cc1 15085156 NBOQSASZHCTQRG-UHFFFAOYSA-N 353.647 3.831 0 40 FHAB COc1cc(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)cc(OC)c1C 6902117 CHUXEIIGSGYWGN-UHFFFAOYSA-N 372.461 3.955 0 40 FHAB CCCCn1c(=O)[nH]c(=O)c2c(C(F)(F)F)cc(-c3cccs3)nc21 6935400 HRTSSALBIJVUOA-UHFFFAOYSA-N 369.368 3.632 0 40 FHAB CC(C)[C@@H]1C[C@@H](NC(=O)c2cccc(OCc3cccnc3)c2)CCO1 95459006 MLKNLGPXCBEBLK-ICSRJNTNSA-N 354.450 3.594 0 40 FHAB CC(C)CNC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 7129941 OXXDESWQOPHKPX-NSHDSACASA-N 365.524 3.787 0 40 FHAB CCOc1ccc2oc(C(=O)OCC(=O)N[C@H]3CCCC[C@@H]3C)c(C)c2c1 7780664 IONALKXYPXWPGN-GUYCJALGSA-N 373.449 3.992 0 40 FHAB Fc1ccc([C@@H]2C=C(c3ccncc3)Nc3nc(C(F)(F)F)nn32)cc1 8192621 XMGAGUAIRNZPSK-AWEZNQCLSA-N 361.302 3.887 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1ccsc1 8256248 CVWVUDUGCAOUKE-SNVBAGLBSA-N 353.827 3.903 0 40 FHAB CC(=O)N[C@H](CC(=O)N[C@@H]1CCSc2ccccc21)c1ccccc1 8267967 QWXWGHIMZYGMNR-QZTJIDSGSA-N 354.475 3.607 0 40 FHAB CCCCOc1ccc(C(=O)NCC(=O)Nc2cc(C)ccc2OC)cc1 8325659 VOKPBMASRYTCSQ-UHFFFAOYSA-N 370.449 3.551 0 40 FHAB COc1ccc(CN2C[C@H]3Cc4ncc(-c5ccccc5)n4C[C@H]3C2)cc1 306134160 NEULACFYEOXMDG-WOJBJXKFSA-N 359.473 3.863 0 40 FHAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc2[nH]cnc2c1 8718775 UXAWJHFOEYSCOI-UHFFFAOYSA-N 367.459 3.959 0 40 FHAB CC[C@H](C(=O)Nc1nc2ccccc2s1)n1cnc2ccccc2c1=O 8994083 XDQXKLODAGMXJW-OAHLLOKOSA-N 364.430 3.596 0 40 FHAB CC[C@@H](OC(=O)c1c(NC(C)=O)sc(C)c1C)C(=O)Nc1ccccc1 9872341 BHMZTVDEFBBFGA-OAHLLOKOSA-N 374.462 3.897 0 40 FHAB CC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1 9095374 UREKUNZVTDSAQU-MRXNPFEDSA-N 368.543 3.974 0 40 FHAB COc1cccc([C@H](OC(=O)c2cnc3ccccn3c2=O)C(C)(C)C)c1 84169190 RTLUJAQAEPZZOW-SFHVURJKSA-N 366.417 3.647 0 40 FHAB Cc1ncsc1CN(C)c1ccc(C(=O)N2CCc3ccccc32)cn1 95958829 IVACBAPOBNTWKZ-UHFFFAOYSA-N 364.474 3.686 0 40 FHAB Cc1cc(C(=O)O)ccc1NC(=S)NC(=O)c1cc2ccccc2o1 20152374 HKMSUQLJECPPPK-UHFFFAOYSA-N 354.387 3.566 0 40 FHAB CCCc1nn2c(N)c(C(=O)OCC)cnc2c1-c1ccc(Cl)cc1 20635973 JOIMUKONCUAXHJ-UHFFFAOYSA-N 358.829 3.761 0 40 FHAB Cc1nnc(-c2cccc(C(=O)Nc3c(-c4ccccc4)n[nH]c3C)c2)o1 547597669 QTAOSIDHNNLKLC-UHFFFAOYSA-N 359.389 3.996 0 40 FHAB CCOc1c(Cl)cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1OC 409017500 WZHYUMDGDLZGBY-XNTDXEJSSA-N 372.808 3.845 0 40 FHAB Cn1c(C(=O)NC[C@@H]2CCCN3CCCC[C@@H]23)cc2c(Cl)cccc21 504401805 VYEVFIWPVHADNM-YOEHRIQHSA-N 359.901 3.826 0 40 FHAB biogenic Cc1cc(-c2nnc(NC(=O)c3cnn(-c4ccccc4)c3C)o2)c(C)o1 56905020 JCUMWBWEIBPXAS-UHFFFAOYSA-N 363.377 3.693 0 40 FHAB Cc1c(-c2ccccc2)c(=O)oc2ccc(OC(=O)N3CCOCC3)cc12 4340771 IQEQTRGPKNTWML-UHFFFAOYSA-N 365.385 3.599 0 40 FHAB biogenic CCOc1cc([C@H]2C=C(c3ccc(Cl)cc3)N=C3N=CNN32)ccc1O 408918035 FJMMWTHNOQKBRB-MRXNPFEDSA-N 368.824 3.745 0 40 FHAB O=C(CSc1nnc2ncccn12)Nc1ccccc1-c1ccccc1 35315853 YYDRCZWWKSZUKL-UHFFFAOYSA-N 361.430 3.522 0 40 FHAB O=C(Cc1cccc(Cl)c1)N[C@H](CO)c1ccc(C(F)(F)F)cc1 536558274 VCRSIAQORKIEEF-OAHLLOKOSA-N 357.759 3.751 0 40 FHAB COc1ccccc1-c1nccnc1[C@@H]1CCCN(Cc2cccnc2)C1 72358577 LQNFRZZWVXJNRM-GOSISDBHSA-N 360.461 3.927 0 40 FHAB C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)C1CC1 70915455 SBWCIRABWAINIK-NRFANRHFSA-N 351.402 3.778 0 40 FHAB COCc1ccc(C(=O)NCc2cccc(OCC(F)(F)F)c2)cc1 36394983 SKKOKMAYDDPJJL-UHFFFAOYSA-N 353.340 3.704 0 40 FHAB Cc1ccsc1C(=O)N[C@@H]1CCCc2nc(-c3cccnc3)ncc21 71195787 JOSGAYBONBKRRI-MRXNPFEDSA-N 350.447 3.716 0 40 FHAB COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1C 225695640 LTBKIMBXSQGAED-UHFFFAOYSA-N 352.434 3.882 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C 223825335 KWIJIXTYGJUPRG-KRWDZBQOSA-N 370.468 3.538 0 40 FHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ncccc1C 225688624 MVWUCHSELDGOIN-OAHLLOKOSA-N 357.479 3.987 0 40 FHAB CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1ccccc1 224360522 RHSDYHKJRLVZNP-LJQANCHMSA-N 355.434 3.573 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl 223681522 GJGBTHQODVTJBV-INIZCTEOSA-N 372.896 3.744 0 40 FHAB Cn1cccc1C(=O)N1CC[C@@H](OCC2CC2)[C@@H](Cc2ccccc2)C1 96111165 MRHFPWHBFKUSPA-PZJWPPBQSA-N 352.478 3.525 0 40 FHAB CC1=C(C(=O)Nc2ccccc2)C2(CCCCC2)[C@@H](C(N)=S)C(=N)O1 95117511 VGWACDHPSPLTIB-OAHLLOKOSA-N 357.479 3.759 0 40 FHAB COCc1cnc2n1CCN(C(=O)c1cc3cc(Cl)ccc3o1)[C@@H]2C 96109638 DJMJLLRFCITVHH-LLVKDONJSA-N 359.813 3.646 0 40 FHAB O=C(c1cccs1)N1CCc2ncnc(-c3ccc(F)cc3)c2CC1 96058709 CAHZAXGVTRDFHX-UHFFFAOYSA-N 353.422 3.585 0 40 FHAB Cc1noc([C@H]2CN(C(=O)/C=C\c3cccs3)C[C@H]2c2ccccc2)n1 253401446 MYQSEXCHBHJFGJ-WBNOOXNUSA-N 365.458 3.863 0 40 FHAB CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2oc3ccc(F)cc3c2C)C1 267368819 FIFIXLHEXBMMPO-ICBMNTSNSA-N 351.443 3.690 0 40 FHAB CN(C(=O)c1nc2cccnc2s1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 278692973 PIVJFNIYPNVARD-GOEBONIOSA-N 371.437 3.823 0 40 FHAB C[C@@H]1NCCO[C@H]1c1ccc(-c2ccccc2OC[C@H]2CCOC2)cc1 629706702 YJNYDZWMDDHTMA-PNLZDCPESA-N 353.462 3.818 0 40 FHAB Cc1ccc(CN2CCc3oc(C(=O)N4C[C@H](C)C[C@@H](C)C4)nc3C2)cc1 585112527 RAKYHVAXVBSILB-IAGOWNOFSA-N 367.493 3.659 0 40 FHAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)c1cccnc1 33096172 DIYMJNQTIUSVBE-HNNXBMFYSA-N 364.232 3.632 0 40 FHAB c1sc(C2CC2)nc1CN1CCC(COc2cc3c(nn2)CCC3)CC1 1775986032 QBAIVBPUVDYSGB-UHFFFAOYSA-N 370.522 3.590 0 40 FHAB C[C@@H](NC(=O)c1ccc(-c2ccccc2F)o1)c1nnc2ccccn12 52769893 FPWNILLZXHOTKC-GFCCVEGCSA-N 350.353 3.619 0 40 FHAB O=C(NCC1CCN(C2CCCC2)CC1)C1(c2ccccc2)CCOCC1 38674345 ZMJALXVNUOYZRN-UHFFFAOYSA-N 370.537 3.506 0 40 FHAB CC(=O)CCC(=O)CC(=O)CCC(=O)Nc1cc(Cl)ccc1Cl 5316859 WIFIITOROCQKJN-UHFFFAOYSA-N 358.221 3.610 0 40 FHAB O=C(Nc1ccccc1)N[C@@H](CCSC(=O)Nc1ccccc1)C(=O)O 5603980 ZUYXILMXSIPLQU-HNNXBMFYSA-N 373.434 3.617 0 40 FHAB CCOP12(OCC)NC(=O)O[C@]1(C(F)(F)F)c1ccccc1O2 5839395 MHGCPAWHYYAZJL-GFCCVEGCSA-N 353.233 3.820 0 40 FHAB O=C(NC1(c2cccc(F)c2)CCCC1)c1cc(-c2ccccn2)n[nH]1 12116862 IUQRPVWXWQYKCY-UHFFFAOYSA-N 350.397 3.810 0 40 FHAB Cc1[nH]c2c(C(=O)N[C@H](C)c3nc(-c4cccnc4)no3)cccc2c1C 12202432 UUMXLIMITIXELL-CYBMUJFWSA-N 361.405 3.721 0 40 FHAB COc1cc(CN(Cc2ccccc2OC)C[C@@H]2CCCO2)ccc1O 13995116 WCEIINAPCIWBDH-SFHVURJKSA-N 357.450 3.591 0 40 FHAB Cc1csc2c([C@@H]3CCN(C(=O)c4cc(C5CC5)on4)C3)nc(C)n12 19240513 BVSRNEARQJHAAX-CYBMUJFWSA-N 356.451 3.508 0 40 FHAB O=C(CCc1ccccc1F)N1CCC[C@H]1c1nnc(-c2ccccn2)o1 19348636 MSAYKOWRMOYECE-KRWDZBQOSA-N 366.396 3.567 0 40 FHAB Cc1noc(C)c1CCC(=O)N1CCC[C@H](c2cc3ncccc3[nH]2)C1 19580665 IYQYUEYYVFPQFO-HNNXBMFYSA-N 352.438 3.507 0 40 FHAB CC(=O)Nc1ccc(F)c(C(=O)Nc2ccn(-c3ccccc3Cl)n2)c1 158494910 IKFACLWTCUWQMW-UHFFFAOYSA-N 372.787 3.876 0 40 FHAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cn1 151642010 KCRSRJPBWJTZLR-UHFFFAOYSA-N 360.841 3.821 0 40 FHAB Cc1ccc(-c2ccc(C(=O)O)o2)c(NC(=S)NC(=O)CC(C)C)c1 226350408 UWFSQISDFGRSGT-UHFFFAOYSA-N 360.435 3.812 0 40 FHAB COc1ccc(-c2cc(CC(=O)N[C@H]3CCCC[C@H]3C)no2)cc1OC 12867663 OZGGLQLZOPLNDY-CJNGLKHVSA-N 358.438 3.596 0 40 FHAB Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c(C)c1 4574947 RZJCYIKGWKNDPS-UHFFFAOYSA-N 372.534 3.740 0 40 FHAB O=C(NCc1ccccc1F)c1nc(-c2ccc(C(F)(F)F)cc2)no1 4726633 QUYRKPANFSNGNK-UHFFFAOYSA-N 365.286 3.825 0 40 FHAB Cc1ccc(CSc2nnc(CNC(=O)c3ccc(F)cc3)o2)cc1 5107480 KAMJVIYJGUJONM-UHFFFAOYSA-N 357.410 3.739 0 40 FHAB Cn1cccc1[C@H](CNC(=O)c1cccs1)N1CCc2ccccc2C1 21151642 DDUGGXAMXVAJRO-IBGZPJMESA-N 365.502 3.616 0 40 FHAB C[C@@H](NC(=O)c1cccc(Cl)c1)[C@@H](c1cccs1)N1CCOCC1 23180996 RZVPOMVMQRGSHT-DYVFJYSZSA-N 364.898 3.593 0 40 FHAB O=C(Cc1ccccc1Cl)N1CC[C@H](Oc2cnc3ccccc3n2)C1 618254862 FXDVNQNEHCEAOH-HNNXBMFYSA-N 367.836 3.506 0 40 FHAB CC(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 4176890 IDLAZZVJNRUCLO-UHFFFAOYSA-N 356.447 3.571 0 40 FHAB COc1cc(CNCCc2c(C)[nH]c3ccccc23)cc(OC)c1OC 36657726 UAHVPDLDGKDQNZ-UHFFFAOYSA-N 354.450 3.834 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 30056911 UYJMNWKDNAEJOE-RDJZCZTQSA-N 370.880 3.830 0 40 FHAB CC(=O)Nc1ccc(NC(=O)CCc2cnn(-c3ccccc3)c2)cc1C 40052647 MCPHOCTYJNYXML-UHFFFAOYSA-N 362.433 3.710 0 40 FHAB O=C(NCc1cccnc1OC1CCCC1)c1ccccc1-n1cccn1 40142093 IKSPKCQJLOCLOE-UHFFFAOYSA-N 362.433 3.519 0 40 FHAB COCc1cccc(NC(=O)c2nc(N3CCCCC3)ncc2Cl)c1 40135779 QPVGIWUFFRWHRQ-UHFFFAOYSA-N 360.845 3.519 0 40 FHAB CCC[C@@H](C)NC(=O)c1ccc(Cl)cc1I 31676967 IBBIHAQLAWGDRE-MRVPVSSYSA-N 351.615 3.863 0 40 FHAB CCOc1ccc(-c2cc(C(=O)Nc3cc(OC)ccc3OC)n[nH]2)cc1 51315419 MZEJEPPPIVMYMU-UHFFFAOYSA-N 367.405 3.745 0 40 FHAB O=C1Nc2ccccc2[C@@]12CC(O)=Nc1c2cnn1-c1ccc(Cl)cc1 20715223 XMZXMHGXHRHTQM-LJQANCHMSA-N 364.792 3.756 0 40 FHAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccccc2)cc1Cl 20745660 TXYDTMASCONOSZ-RDTXWAMCSA-N 358.825 3.507 0 40 FHAB C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1cccc(F)c1 32755136 LNCDIZCATUBSAX-UKRRQHHQSA-N 360.454 3.617 0 40 FHAB COc1cc(NC(=O)c2cnn(-c3ccccc3F)c2C)cc(OC)c1 32903022 ONOMSYZETUYNRJ-UHFFFAOYSA-N 355.369 3.589 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc(N2CCCC2)cc1 33000003 LCCAOISUBAYBBN-KRWDZBQOSA-N 359.470 3.625 0 40 FHAB Cc1cccc(C)c1NC(=S)NC(=O)c1cncc(Br)c1 678575 FDISLEWEGIYDAC-UHFFFAOYSA-N 364.268 3.588 0 40 FHAB Cc1nc(CSc2ccccc2C(=O)N2CCc3sccc3C2)no1 23008975 CJBFMPFUPMCSIO-UHFFFAOYSA-N 371.487 3.930 0 40 FHAB CC(C)c1ccc(CN2CCC(C(=O)NCc3cccnc3)CC2)cc1 819305 BJLXJPQTSLNTLQ-UHFFFAOYSA-N 351.494 3.733 0 40 FHAB COc1ccc([C@H]2C[C@H](c3ccc(F)cc3)Nc3ncnn32)cc1OC 803082 SWTOADYHIHGCBX-HZPDHXFCSA-N 354.385 3.581 0 40 FHAB CC(C)[C@H]1Nc2ccccc2C(=O)N1CC(=O)Nc1ccc2cc[nH]c2c1 61717960 FVJHPHDAEQGFNE-FQEVSTJZSA-N 362.433 3.656 0 40 FHAB CNC(=S)N(Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 883270 YWASFEKMYRRHOX-UHFFFAOYSA-N 365.502 3.651 0 40 FHAB CC[C@@H](NS(=O)(=O)c1cccc(C(=O)OC)c1)c1ccc(Cl)cc1 24367580 GMUCCYZFEDMWQD-MRXNPFEDSA-N 367.854 3.556 0 40 FHAB Cc1cc(OCCCC(=O)Nc2ccccc2C(N)=O)cc(C)c1Cl 1787138 TXJVOVMTCSBOPG-UHFFFAOYSA-N 360.841 3.853 0 40 FHAB Cn1ncc2c1CCC[C@@H]2NC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 24995448 JDJSKSKRUNXOAQ-SFHVURJKSA-N 351.494 3.943 0 40 FHAB COc1ccc(C(=O)CSc2nnc(-c3cccc(OC)c3)o2)cc1 4189477 BCTMDLXOMKBRNY-UHFFFAOYSA-N 356.403 3.729 0 40 FHAB CCOc1c(Cl)cc(CNC(=O)c2cnc3ccccc3n2)cc1OC 55715638 SUIDRAPHWRVRFK-UHFFFAOYSA-N 371.824 3.621 0 40 FHAB COc1ccc(C(=O)N[C@H](C)c2nc(-c3ccccc3C)no2)cc1OC 4998402 UUHWYZRYHGOACM-CYBMUJFWSA-N 367.405 3.553 0 40 FHAB COc1ccc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1OC 6285259 HMTZCVFJZPIAEK-UHFFFAOYSA-N 363.841 3.831 0 40 FHAB COc1ccc2oc(C(=O)O[C@H](C)C(=O)N(C)c3ccccc3)c(C)c2c1 6456109 IQCSICLPNVORJH-CQSZACIVSA-N 367.401 3.958 0 40 FHAB O=S(=O)(c1c(Cl)cccc1Cl)N(Cc1ccncc1)C1CC1 58045913 URQXLCRJTKYWQH-UHFFFAOYSA-N 357.262 3.742 0 40 FHAB C[C@H](C(=O)N(C)Cc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 57024438 WICANPWMDWPIBD-QGZVFWFLSA-N 371.912 3.509 0 40 FHAB O=C1CC[C@H](c2n[nH]c(=S)n2-c2ccccc2)N1Cc1ccccc1 8652880 BMOBEBQTCAJVIG-MRXNPFEDSA-N 350.447 3.794 0 40 FHAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3OC)cc21 8959479 WUUCDTPZHJHCGE-UHFFFAOYSA-N 368.433 3.719 0 40 FHAB CC(C)n1c(S)nnc1CNC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 108899493 QJWXGCQFNXBLFW-DFDFAMMDSA-N 362.543 3.761 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(-n2ccnc2C)cc1 20492699 DJSUFNGCTULXRI-FQEVSTJZSA-N 367.424 3.794 0 40 FHAB O=C1Cc2cc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc2N1 10063836 DAMCDDPIMVQQFR-UHFFFAOYSA-N 364.426 3.649 0 40 FHAB Cc1ccc([C@H](CNC(=O)c2ccc(O)c(Cl)c2)N2CCCC2)cc1 95392569 UUQKHUDAISGMES-SFHVURJKSA-N 358.869 3.921 0 40 FHAB CCN1CCC[C@H]1CN(Cc1cccnc1)Cc1cccc2nccnc12 22931799 ZSAQNCGEPAUDBR-FQEVSTJZSA-N 361.493 3.511 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)c3[nH]c4ccccc4c3Cl)ccc21 45041173 XTQNUCLGURRFFG-UHFFFAOYSA-N 353.809 3.983 0 40 FHAB CC(C)c1ccc(S(=O)(=O)N(C)c2ccc(Br)cn2)cc1 36397021 UAIBJSYURQKREN-UHFFFAOYSA-N 369.284 3.793 0 40 FHAB O=C(c1ccccc1)c1ccc(OCc2cc(=O)n3ccccc3n2)cc1 11150730 QUQQWCQDWKCIHG-UHFFFAOYSA-N 356.381 3.505 0 40 FHAB COc1ccc2cc(C(=O)N3CCO[C@H](c4ccc(F)cc4)C3)[nH]c2c1 29117776 PDEXTRMQSTZPET-IBGZPJMESA-N 354.381 3.529 0 40 FHAB CCc1cccc(N[C@H](C)C(=O)Nc2cc(NC(C)=O)ccc2OC)c1 29409131 SSSRHWHNEIYSEZ-CYBMUJFWSA-N 355.438 3.655 0 40 FHAB CC[C@@H](C)[C@H](C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1 60389226 BYPQWHKIVCXQEF-ACJLOTCBSA-N 350.418 3.681 0 40 FHAB CCN(c1ccc(NC(=O)[C@H]2CCCN(c3cnccn3)C2)cc1)C(C)C 29821381 OCIFIHXCIKOWBN-KRWDZBQOSA-N 367.497 3.566 0 40 FHAB O=c1[nH]c(SCCCOc2ccc(Cl)cc2)nc2c1CCCC2 11905549 DYRSKTFXPBCRNY-UHFFFAOYSA-N 350.871 3.863 0 40 FHAB CN(C)C(=O)Nc1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 47212081 SSWAYXXYTHHHBZ-UHFFFAOYSA-N 369.446 3.734 0 40 FHAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(OC(F)F)cc1 12755313 ONPJEYFSISBJOW-SFHVURJKSA-N 360.404 3.855 0 40 FHAB COc1cccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 12795632 GYGJHZDWCZJCOD-GOSISDBHSA-N 353.418 3.834 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2ccc(Cc3c(C)noc3C)o2)cc1 28242929 JBYSIAPVAKNRMH-UHFFFAOYSA-N 353.378 3.686 0 40 FHAB O=C1O[C@@H](C(=O)N[C@@H](c2ccccc2)c2cccs2)Cc2ccccc21 12871153 TVVCRBWOWUJYJP-MJGOQNOKSA-N 363.438 3.735 0 40 FHAB CC(C)c1ccccc1OCC(=O)Nc1ccc(C(=O)NC2CC2)cc1 12915138 SWFBPWIGTPEYPU-UHFFFAOYSA-N 352.434 3.720 0 40 FHAB CC(C)(C)OC(=O)N1CCc2nc3c(Cl)cccc3c(C(=O)O)c2C1 96032943 OFDAMTIAIIKXMI-UHFFFAOYSA-N 362.813 3.880 0 40 FHAB Cc1[nH]nc2c1[C@H](c1cccc(O)c1)N(CCc1c[nH]c3ccccc13)C2=O 13691644 YGFZTTNQTJJDPT-NRFANRHFSA-N 372.428 3.693 0 40 FHAB CCCCNc1nc2ccccc2n1CC(=O)NCc1ccc(F)cc1 5269264 HVNQYIVXYLEMAD-UHFFFAOYSA-N 354.429 3.704 0 40 FHAB O=C1CSc2ccc(C(=O)Nc3ccc(OC(F)F)cc3)cc2N1 6328856 DJQUAVGCEAGRIK-UHFFFAOYSA-N 350.346 3.585 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 14112300 ZVHWGSUHTRQQBF-UKRRQHHQSA-N 370.419 3.511 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(OCC)c2)cc1 5466559 WWTJLHDYORPRKU-UHFFFAOYSA-N 357.406 3.913 0 40 FHAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)[C@@H]1Cc2ccccc2O1 9494179 JGKQXGYYIZHRTL-KRWDZBQOSA-N 354.406 3.815 0 40 FHAB CCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 6879884 WCGBEBFSZRKSQB-UHFFFAOYSA-N 367.858 3.672 0 40 FHAB COC(=O)[C@@H](C)Sc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1 6831976 WYYSLSKMPNWJLF-CYBMUJFWSA-N 369.446 3.597 0 40 FHAB CCC[C@H](C)NC(=O)NCc1cccc(CNC(=O)N[C@@H](C)CCC)c1 6937078 FLCGPBALNQMGCT-HOTGVXAUSA-N 362.518 3.662 0 40 FHAB COc1ccccc1N1CCN(C(=O)c2cc3ccccc3s2)CC1 7123845 NMTAVUNDUGMNAC-UHFFFAOYSA-N 352.459 3.872 0 40 FHAB Cc1ccc([C@]2(C)NC(=O)N(Cc3ncc(-c4ccccc4)o3)C2=O)cc1 7388922 OGWCDVOZOBATFS-NRFANRHFSA-N 361.401 3.617 0 40 FHAB S=C(Nc1ccc(Oc2ccccc2)cc1)N[C@H]1CN2CCC1CC2 7989872 SHAQOSUHSIUKEG-IBGZPJMESA-N 353.491 3.860 0 40 FHAB O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccc(N2CCOCC2)s1 8179342 PKUAVARSVYJETL-PTNGSMBKSA-N 374.849 3.583 0 40 FHAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCCCc1ccncc1 95947430 ACHCXLCDFUFSIS-UHFFFAOYSA-N 374.440 3.654 0 40 FHAB C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)c2ccccc2)n1C 8388755 COFVKPMMLNCBKU-CQSZACIVSA-N 353.447 3.930 0 40 FHAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1cc(Cl)ccc1OC 8726766 WHRGZLBVJKYQPJ-UHFFFAOYSA-N 356.809 3.804 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1C(=O)N1CCCC1 408596198 RPNHZYAXBVNPCU-UHFFFAOYSA-N 372.490 3.649 0 40 FHAB Fc1ccccc1CN1CC[C@@]2(C1)CN(Cc1cccnc1)c1cccnc12 306138575 SAZFRXITENAZET-HSZRJFAPSA-N 374.463 3.780 0 40 FHAB COCCNC(=S)c1cc(Cl)c(OCc2ccccc2)c(OC)c1 408578213 WVYWYZIHHLKLHL-UHFFFAOYSA-N 365.882 3.839 0 40 FHAB COc1ccc(C2(CNC(=O)CCc3ccccc3F)CCOCC2)cc1 56451949 MEPRHIDNAXDSLN-UHFFFAOYSA-N 371.452 3.632 0 40 FHAB CCn1cc(-c2cc(C(F)(F)F)nc(N3CCC[C@H](C)C3)n2)c(C)n1 36618613 ALGDPAYEZMKJJB-NSHDSACASA-N 353.392 3.924 0 40 FHAB CC(C)COC(=O)c1cccnc1-c1ncccc1C(=O)OCC(C)C 1864880 HNEQSFZVVNCXJX-UHFFFAOYSA-N 356.422 3.769 0 40 FHAB biogenic CC(=O)N1CCN(C(=O)c2ccc(-c3ccc4ccccc4c3)s2)CC1 36367347 SVUAUARNIGZXJP-UHFFFAOYSA-N 364.470 3.873 0 40 FHAB O=C(O)CN1C(=O)S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C1=O 409141627 JHXYRTLANQCFBL-NTUHNPAUSA-N 363.778 3.721 0 40 FHAB C[C@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C 37631836 ZEMPPUAPDWWJPV-HOCLYGCPSA-N 365.470 3.827 0 40 FHAB COc1cccc(Nc2n[nH]nc2C(=O)Nc2cc(Cl)ccc2C)c1 38487535 VOVCJLLUYKZNLS-UHFFFAOYSA-N 357.801 3.771 0 40 FHAB Cc1nn(C)c(C)c1-c1nn2c(-c3cc(Cl)ccc3F)nnc2s1 36359276 DPBMDASCVWOJHN-UHFFFAOYSA-N 362.821 3.663 0 40 FHAB Clc1ccc(CN2CCOC[C@H]2c2nc(-c3ccncc3)c[nH]2)cc1 72322069 ZHNSMOLEGLAAOZ-SFHVURJKSA-N 354.841 3.699 0 40 FHAB biogenic,in-vitro Cc1nn(C)cc1[C@@H]1CC(O)=Nc2c1c(=O)[nH]n2C1CCCCCCC1 71283261 PVGYHENPZDXSOT-AWEZNQCLSA-N 357.458 3.627 0 40 FHAB COc1ccccc1OCCNC(=O)[C@H](C)Oc1cccc2ccccc12 224288229 NGTJSQKRMUKPDC-INIZCTEOSA-N 365.429 3.811 0 40 FHAB COC(=O)c1cn(C(=O)CCc2ccc(OC)c(OC)c2)c2ccccc12 222618368 SCQOODVQAJEAHE-UHFFFAOYSA-N 367.401 3.718 0 40 FHAB CCC[C@@H](C)NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 225805482 HJSSGZQGRGUCCO-LLVKDONJSA-N 355.360 3.993 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCOc1cccc(C)c1C 223945673 XQBIEKJDQABYDL-LJQANCHMSA-N 357.450 3.665 0 40 FHAB COc1ccc(OCCNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 224422660 FCFXVGKFPMFZRI-INIZCTEOSA-N 357.450 3.781 0 40 FHAB COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1 223319437 QWHFJVLDMFIQOH-CQSZACIVSA-N 355.434 3.989 0 40 FHAB C[C@H]1CCCN(C[C@H](O)COCC(c2ccccc2)c2ccccc2)C1 40373217 XNXJVORMCRDQEW-UGKGYDQZSA-N 353.506 3.928 0 40 FHAB O=C(NCc1cccnc1-c1ccncc1)c1ccccc1Br 225749787 SFZDFCGLXWZJND-UHFFFAOYSA-N 368.234 3.836 0 40 FHAB COc1ccc(CCC(=O)NCc2ccc(CN3CCCC3)cc2)cc1C 224517144 OZLVOWMVONBTDE-UHFFFAOYSA-N 366.505 3.848 0 40 FHAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(O)c(OC)c3)N21 222655509 OSKPFECEDJMMDV-JEBQAFNWSA-N 355.463 3.775 0 40 FHAB Cc1nn(-c2ccccn2)c(C)c1CNC[C@@H]1CSc2ccccc2O1 578768644 KWXOIRCGHWISKO-MRXNPFEDSA-N 366.490 3.527 0 40 FHAB Cc1nc(-c2nc(C(=O)Nc3cccnc3)c3ccccn23)cn1C(C)C 96266913 KQSMIWILMWZAQM-UHFFFAOYSA-N 360.421 3.734 0 40 FHAB CCOc1ccccc1NS(=O)(=O)c1ccc(Br)cc1F 96171082 PBLMSWDTTLWWHX-UHFFFAOYSA-N 374.231 3.788 0 40 FHAB Cc1cc(C)cc(NC(=O)c2ccc3c(c2)N(C)[C@@H]2CCCCN2C3=O)c1 97124046 IWZKLOLFAXMUJP-FQEVSTJZSA-N 363.461 3.958 0 40 FHAB Cc1cccc(CO[C@H]2CSC3(C2)CN(C(=O)c2ccc(C)s2)C3)n1 247814594 CALAYEUXDBJLHA-MRXNPFEDSA-N 374.531 3.677 0 40 FHAB CSc1ccccc1C(=O)N1CC(Oc2nc3ccccc3s2)C1 85471150 OUGDDOMOGGTABD-UHFFFAOYSA-N 356.472 3.922 0 40 FHAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@@H](c3cnccn3)C2)o1 257207264 BHALVCWRJFNXEX-OAHLLOKOSA-N 363.417 3.814 0 40 FHAB CCOCc1ccc(NC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc1 467950088 UMUVAKRVKRWAFK-HXUWFJFHSA-N 367.493 3.867 0 40 FHAB Cc1cc(F)ccc1C[C@H](C)NC(=O)N1Cc2c[nH]nc2CC(C)(C)C1 663214423 IPIDNOBUDQJZHM-AWEZNQCLSA-N 358.461 3.582 0 40 FHAB Cc1ccc([C@H]2COCCN2C(=O)Nc2cn(C)nc2C2CCCCC2)o1 296914560 DKDBHEODPBBLEQ-QGZVFWFLSA-N 372.469 3.975 0 40 FHAB CCOCC[C@H]1CN(C(=O)c2ccc3ncccc3c2)Cc2cccn2C1 585095209 IJTUOLRSYQMGTC-QGZVFWFLSA-N 363.461 3.735 0 40 FHAB Brc1cnc(N2CCC[C@H](c3nc4ccccc4o3)C2)nc1 67350562 YEIUWPQZUZPFLJ-NSHDSACASA-N 359.227 3.764 0 40 FHAB Cc1cc(Cc2cccc(F)c2)cc([C@H]2CCN(Cc3ncc[nH]3)C2)n1 72374798 NYOBJHMZFTZWKU-SFHVURJKSA-N 350.441 3.833 0 40 FHAB CC(C)C(=O)N1CCCC[C@@H]1C(=O)N(C)Cc1ccc2ccccc2c1 55170928 BSAKCGMCKNXZBB-HXUWFJFHSA-N 352.478 3.835 0 40 FHAB CC(C)c1ccccc1OC[C@H](O)CN1C(=O)CC2(CCCCC2)CC1=O 60381594 SUOXEOWOGGVEAY-QGZVFWFLSA-N 373.493 3.649 0 40 FHAB O=C([C@@H]1COc2ccccc2O1)N(Cc1ccccn1)c1ccc(F)cc1 58367001 MJGUUMZCFWLNNI-FQEVSTJZSA-N 364.376 3.594 0 40 FHAB CC1(C)CC[C@H](NC(=O)[C@@H]2CSCN2C(=O)C2CCC2)c2ccccc21 78470195 GGEZFGHPCVGVPD-ROUUACIJSA-N 372.534 3.617 0 40 FHAB O=C(OCc1ccccc1)N1CCC[C@H]1c1ncc2c(Cl)nccn12 143356740 CVBYUIZTUMXADS-AWEZNQCLSA-N 356.813 3.856 0 40 FHAB COc1cc(OC)cc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 5476647 UBYGEPHJWZONLI-UHFFFAOYSA-N 355.312 3.740 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc(CNc3ccccc3)n[nH]2)cc1 5448226 URCOHPYKYUKKMP-CQSZACIVSA-N 367.478 3.845 0 40 FHAB Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 5748549 QLKPKSFTKUYKCS-INIZCTEOSA-N 372.490 3.810 0 40 FHAB Cc1ccc(-n2cccc2CN(Cc2ccc(C)s2)C[C@@H](C)O)nc1 12147976 QBYMVZVVJJSUQW-MRXNPFEDSA-N 355.507 3.934 0 40 FHAB CCC[C@H](NC(=O)CN(C)CCOc1ccc(OC)cc1)c1ccccc1 16047068 AKQZXJKYDMQIDO-NRFANRHFSA-N 370.493 3.663 0 40 FHAB Cc1csc(C(=O)N2CCC[C@H]2c2nnc(-c3scnc3C)o2)c1 19124551 YWELCZSXGBRGDL-NSHDSACASA-N 360.464 3.849 0 40 FHAB O=c1cc([C@H]2CCCCN2Cc2ccsc2)nc(-c2ccncc2)[nH]1 19405831 LMMHPCWGNSTPKS-QGZVFWFLSA-N 352.463 3.621 0 40 FHAB Cc1csc([C@H](Cc2ccsc2)NC(=O)c2cc(C)c(C)[nH]c2=O)n1 19566793 RKBWSOYRHYWAEI-HNNXBMFYSA-N 373.503 3.532 0 40 FHAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccccc3)cc2)C1=O 205739884 VKDIRKIUSBKHLY-SFQUDFHCSA-N 367.426 3.953 0 40 FHAB Cc1ncc(C(=O)N2CCCC2)c(CC2CCN(C3CCCCC3)CC2)n1 19754968 SGZPKJYPUJXSAM-UHFFFAOYSA-N 370.541 3.608 0 40 FHAB CC1(C)[C@@H]2C[C@@H]1C[C@@H]1OB(B3O[C@@H]4C[C@H]5C[C@@H](C5(C)C)[C@@]4(C)O3)O[C@@]12C 256007031 VNEZFUGEQURPEN-DBRPEAJCSA-N 358.096 3.521 0 40 FHAB Cc1cc(NC(=O)c2cc(C(F)(F)F)nc(C)n2)n(-c2ccccc2)n1 1888897073 KOHZLASOWUCYON-UHFFFAOYSA-N 361.327 3.550 0 40 FHAB COc1ccc(-c2ccc(SCC(=O)N3CCCCCC3)nn2)cc1 1332336 KSTFIWUKAOVZGQ-UHFFFAOYSA-N 357.479 3.647 0 40 FHAB CN(C)CCCN(C(=O)Cc1ccccc1)c1nc2c(F)cccc2s1 4359781 WEURFFNWIOSMHO-UHFFFAOYSA-N 371.481 3.963 0 40 FHAB Cc1cc(-c2nn3c(Cc4c(Cl)cccc4Cl)nnc3s2)n[nH]1 31810812 OONOFZXHUSZECJ-UHFFFAOYSA-N 365.249 3.782 0 40 FHAB CCOC(=O)c1c(NCc2ccc(F)cc2F)c2cc(C)ccc2[nH]c1=O 49001483 DXUCJHHVKNJWPB-UHFFFAOYSA-N 372.371 3.904 0 40 FHAB Cc1nc2ccccc2n1[C@H]1CCN(C(=O)c2cccc(-n3cccn3)c2)C1 575414682 TZHKVVYERJAQNG-IBGZPJMESA-N 371.444 3.618 0 40 FHAB CN(C)[C@H](CNC(=O)CCOc1cccc(Cl)c1)c1ccsc1 40090292 NZGDYWUKZGMXLK-MRXNPFEDSA-N 352.887 3.590 0 40 FHAB CN(CCCNC(=O)Nc1ccccc1N1CCCC1)c1ccccc1 40103776 FQAHATJJTUITEK-UHFFFAOYSA-N 352.482 3.935 0 40 FHAB O=C(Nc1nc(CN2CCOCC2)cs1)c1cccc(Cl)c1Cl 40161757 WEGDUTXNDBQKRI-UHFFFAOYSA-N 372.277 3.534 0 40 FHAB CCN(C(=O)c1cccc(CS(C)(=O)=O)c1)[C@@H](C)c1ccc(F)cc1 40145809 GCMJKNROVZBDGS-AWEZNQCLSA-N 363.454 3.594 0 40 FHAB CCN(Cc1cccc(F)c1)C(=O)CN(C)c1nc2ccccc2s1 40146575 MWHMTRZZLUAWIU-UHFFFAOYSA-N 357.454 3.920 0 40 FHAB Cc1cc(C(=O)NC[C@@H](C)N2CCc3sccc3C2)c2ccccc2n1 31964238 OMIDAYIWSLPYSA-OAHLLOKOSA-N 365.502 3.781 0 40 FHAB CCN1C[C@@H](CN(C)C(=O)Cc2ccccc2Cl)Oc2ccccc21 32781114 RZDQARSIIQNYLN-MRXNPFEDSA-N 358.869 3.628 0 40 FHAB COc1ccc([C@@H](C)NC(=O)c2cncn2-c2ccc(F)cc2)cc1F 32745027 PIOXFMJTVJWKAL-GFCCVEGCSA-N 357.360 3.650 0 40 FHAB Cc1ccc(C(=O)CCC(=O)NCc2ccc(NC(=O)C(C)C)cc2)cc1 32899069 AQPVATGVMYZBNP-UHFFFAOYSA-N 366.461 3.869 0 40 FHAB CCc1cc2n(Cc3ccc(C(=O)O)cc3)c3ccccc3[n+]2nc1CC 628963 JCPSIKAPABUMMP-UHFFFAOYSA-O 360.437 3.646 0 40 FHAB Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 670548 YIXYYBRKYAVYTC-UHFFFAOYSA-N 372.490 3.812 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)cc1C 856126 JKRHUWDDTITVJG-UHFFFAOYSA-N 363.446 3.854 0 40 FHAB Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)OCc1ccccc1 862018 FRNPSHDYIBTBKP-KRWDZBQOSA-N 356.447 3.645 0 40 FHAB COc1cc(OC)nc([C@@H](Sc2ccc(N)cc2)c2ccccc2)n1 1741920 NZRFMXYVJFBNEM-SFHVURJKSA-N 353.447 3.958 0 40 FHAB CCOc1ccc(NC(=O)CCc2nc(-c3ccc(OC)cc3)no2)cc1 2238593 WOYNHVIWQPILJY-UHFFFAOYSA-N 367.405 3.715 0 40 FHAB Cc1cccc(C)c1C(=O)c1cccc(CN2CCC3(CC2)OCCO3)c1 2515237 ZKMUSAHBNIBMOB-UHFFFAOYSA-N 365.473 3.873 0 40 FHAB NC(=O)c1c(NC(=O)COc2cccc3ccccc23)sc2c1CCC2 3325067 ZPZPUNARFGRFJD-UHFFFAOYSA-N 366.442 3.506 0 40 FHAB O=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1CNc1ccc(F)cc1 5006720 AXWVAFPXJQFWGW-LZYBPNLTSA-N 372.377 3.660 0 40 FHAB Cc1ccc(C(=O)N(c2ccc(C)c(C)c2)[C@@H]2C=CS(=O)(=O)C2)cc1C 5071230 FNRJVCPBKLOCOV-HXUWFJFHSA-N 369.486 3.878 0 40 FHAB O=C(C1=COCCO1)N(Cc1ccccc1)c1nc2ccc(F)cc2s1 5299730 HYVBAWKKSMQRJB-UHFFFAOYSA-N 370.405 3.857 0 40 FHAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2cc(C)ccc2OC)C1=O 5313135 UVKJRJGZFSEPKN-HXUWFJFHSA-N 356.397 3.500 0 40 FHAB Cc1cc(C)c(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)c(C)c1 5399248 IGYCPXATDLPZQV-UHFFFAOYSA-N 365.408 3.613 0 40 FHAB Cc1ccccc1-c1nnc(SCC(=O)NCc2ccc(F)cc2)o1 5434749 RLBGPTVKFCWRSW-UHFFFAOYSA-N 357.410 3.593 0 40 FHAB COc1ccc(NC(=O)CCc2ccccc2)cc1N1CCCCC1=O 5441916 PUQGZATVQZPROC-UHFFFAOYSA-N 352.434 3.783 0 40 FHAB S=c1sc2c(s1)SCCOCCOCCOCCS2 5600163 RXQOHVRFZLKDSY-UHFFFAOYSA-N 356.581 3.787 0 40 FHAB COc1cc(C)c(S(=O)(=O)Oc2cc(C)nc3ccccc23)cc1C 6485785 MYRDMARJJWLPJP-UHFFFAOYSA-N 357.431 3.936 0 40 FHAB CC(C)COc1cccc(C(=O)Nc2ccccc2C(=O)NC2CC2)c1 6589619 CZVAGYJHFBIJCV-UHFFFAOYSA-N 352.434 3.866 0 40 FHAB CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1OC 6658421 LEJUJHLMITYGPA-UHFFFAOYSA-N 368.462 3.704 0 40 FHAB CCNC(=O)c1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)c(C)s1 6680107 NKJIRSLZZGSQSN-UHFFFAOYSA-N 366.508 3.532 0 40 FHAB Cc1cc(C(=O)CSC(=S)N2CCCC2)c(C)n1CC(F)(F)F 6943891 JTXHMDGLHRHDCF-UHFFFAOYSA-N 364.458 3.964 0 40 FHAB Cc1ccc(CC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 7069661 PYGGXVOSAKHYCA-UHFFFAOYSA-N 351.324 3.738 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2F)CC1 7504762 MBKRKDHFCDRBIA-CQSZACIVSA-N 362.832 3.595 0 40 FHAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)c1C 7612580 QZDNKDMMTXIGOY-UHFFFAOYSA-N 372.490 3.848 0 40 FHAB CCOc1ccc(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc1 8007362 QPCNCAMKMSDPRH-UHFFFAOYSA-N 360.797 3.675 0 40 FHAB O=C(CCCOC(=O)c1cncn1-c1ccc(F)cc1)c1ccc(F)cc1 8134799 HOBSAPHGKZCJHQ-UHFFFAOYSA-N 370.355 3.970 0 40 FHAB CC(C)NC(=O)[C@@H](C)OC(=O)c1c2c(nc3ccccc13)CCCCC2 8540895 KQBKZOJPPSNRFT-CQSZACIVSA-N 354.450 3.574 0 40 FHAB Cc1ccc2[nH]/c(=N/C(=O)c3cc(=O)c4cc(C)ccc4o3)sc2c1 9111335 GAMIGTSVLGBIJT-UHFFFAOYSA-N 350.399 3.694 0 40 FHAB Cc1nn(C)c(C)c1CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 9313760 GBSLBTWPFOSROT-UHFFFAOYSA-N 365.462 3.823 0 40 FHAB Cc1c(CCC(=O)Nc2ccc(F)c(F)c2)c(=O)oc2cc(O)ccc12 9482665 LJBRNOFNUJUFJG-UHFFFAOYSA-N 359.328 3.657 0 40 FHAB CCOc1ccccc1Nc1nnc(Cc2ccc(Cl)cc2)c(O)n1 9669235 ODILUYMYNQWQQX-UHFFFAOYSA-N 356.813 3.964 0 40 FHAB NC(=O)[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)c1ccccc1 10498042 ZNQFBAWUMIUYJD-ZDUSSCGKSA-N 363.364 3.967 0 40 FHAB Cc1ccc(OCC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1 11141146 HRYIVDOFXLRKCN-UHFFFAOYSA-N 358.825 3.793 0 40 FHAB Cc1cc2occ(CC(=O)Nc3ccc(NS(C)(=O)=O)cc3)c2cc1C 11144728 QSMWKRHSTZDLDZ-UHFFFAOYSA-N 372.446 3.602 0 40 FHAB C[S@](=O)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 11201746 GMLDKHQZGWPWEQ-AREMUKBSSA-N 368.414 3.522 0 40 FHAB COc1ccc2nc(-c3ccc(NC(=O)c4ccccc4F)cc3)cn2n1 11693473 BDYZZGOXOFVDPV-UHFFFAOYSA-N 362.364 3.796 0 40 FHAB CN(C)c1ccc(CCCNS(=O)(=O)c2ccc3ccccc3c2)cc1 11693691 XZGCEOJEEYKUKL-UHFFFAOYSA-N 368.502 3.817 0 40 FHAB Cc1nc2ccc(C(=O)N[C@@H](c3ccccc3)c3ccnn3C)cc2s1 12194164 PHNLYAUNEIHISF-IBGZPJMESA-N 362.458 3.858 0 40 FHAB COCc1c(C(=O)Nc2cccc(C(N)=O)c2)sc2cccc(F)c12 12692759 HRGNHBCILPZSDJ-UHFFFAOYSA-N 358.394 3.538 0 40 FHAB C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccc(F)c(F)c1 12935419 PHTHDPDIRHMRSE-SECBINFHSA-N 350.390 3.866 0 40 FHAB COc1cccc(Cn2nccc2NC(=O)c2ccc(C)cc2)c1OC 13003101 ABIVUIWLBCWFGC-UHFFFAOYSA-N 351.406 3.509 0 40 FHAB Cc1ccc(C(=O)CCC(=O)NCc2ccnc(N3CCCC3)c2)cc1C 13003533 AAXNXSGNANZOFE-UHFFFAOYSA-N 365.477 3.578 0 40 FHAB COc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@H](c2ccccc2)C4)cc1 13634164 TVRDLNHQWPAPLK-MRXNPFEDSA-N 370.412 3.713 0 40 FHAB Clc1ccc(-c2nn3c(-c4ccc5c(c4)OCO5)nnc3s2)cc1 13727155 ZHWBDCWZHNCZAR-UHFFFAOYSA-N 356.794 3.902 0 40 FHAB COc1ccc(-c2noc(CCC(=O)Nc3cccc4ncccc34)n2)cc1 14064790 SZRFBZARRKLREJ-UHFFFAOYSA-N 374.400 3.865 0 40 FHAB COc1cc(C(=O)NCc2ccco2)cc(OC)c1OCc1ccccc1 14095826 HVPKUEHQQJGYSA-UHFFFAOYSA-N 367.401 3.806 0 40 FHAB COc1cc([C@@H]2CC(=O)Nc3sc4c(c32)CCCC4)cc(OC)c1O 15086001 VDACTEJRBDXTTO-LBPRGKRZSA-N 359.447 3.824 0 40 FHAB COc1ccc(S(=O)(=O)N2CCc3cc4cccc(C)c4nc32)cc1C 15842071 LCXCRMPMYQIKHP-UHFFFAOYSA-N 368.458 3.612 0 40 FHAB CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)[C@@H]2CC=CCC2)c1 16145058 CGXGPDVKPXQGPN-MRXNPFEDSA-N 364.511 3.629 0 40 FHAB CCOc1ccc2nc(Nc3ncc4c(n3)C[C@@H](C)CC4=O)nc(C)c2c1 20634492 YEILQSJZXKWHCH-LLVKDONJSA-N 363.421 3.636 0 40 FHAB Cc1cc(C)cc(OC[C@H](O)CN2CCN(c3cccc(Cl)c3)CC2)c1 23211983 ZZGCNFODKVEKHA-HXUWFJFHSA-N 374.912 3.519 0 40 FHAB O=C(NCCC(c1ccccc1)c1ccccc1)N1CCC[C@H](CO)C1 24563179 LAKSDQIRVINBIT-SFHVURJKSA-N 352.478 3.623 0 40 FHAB Cc1onc(-c2ccccc2)c1C(=O)N1CCN(Cc2ccsc2)CC1 24572951 NIDAJSYTJRXTDA-UHFFFAOYSA-N 367.474 3.670 0 40 FHAB O=C(NC[C@H]1CCN(c2ccccc2)C1)c1ccccc1Br 24817258 SDNNVXSRJGFUNM-CQSZACIVSA-N 359.267 3.705 0 40 FHAB CCOc1ccccc1C(=O)N(C)CC(=O)Nc1cccc2ccccc12 24856218 ROHUZBLNWPZPFB-UHFFFAOYSA-N 362.429 3.949 0 40 FHAB COc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2cccs2)cc1OC 27954314 QEAOMZDONAVXSA-ZDUSSCGKSA-N 367.492 3.600 0 40 FHAB CC(=O)c1cccc(NC(=O)Nc2cnn(Cc3ccccc3F)c2)c1 28220382 QGBRKTPTBPDWID-UHFFFAOYSA-N 352.369 3.917 0 40 FHAB O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1ccc(Br)o1 28220479 CCYDTHUWUWZVOZ-UHFFFAOYSA-N 364.174 3.678 0 40 FHAB Cc1cc(OCC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc(C)c1Cl 28289221 LRHJMUKTXUHEDU-GFCCVEGCSA-N 374.824 3.694 0 40 FHAB COc1ccc(CNC(=O)c2csc(COc3ccc(F)cc3)n2)cc1 29506922 FIIMQNKHSUXJKE-UHFFFAOYSA-N 372.421 3.800 0 40 FHAB CC[C@@H]1CCc2sc(C(=O)N[C@@H](C)[C@@H](O)c3ccc(O)cc3)cc2C1 32731817 ARVXQCKBKCDVMP-XEKQOVJPSA-N 359.491 3.821 0 40 FHAB CN1C(=O)/C(=C/c2c(-c3ccccc3)n(C)c3ccccc23)N(C)C1=S 33497273 DAJGWWGTBSKCQH-AQTBWJFISA-N 361.470 3.875 0 40 FHAB COc1ccc(NC(=O)c2c3c(nc4c2cnn4C(C)C)CCC3)cc1 36365295 XMMFTUVXVFFMAK-UHFFFAOYSA-N 350.422 3.762 0 40 FHAB O=C(CCCc1ccccc1)N1CCC[C@@H]1c1nnc2n1CCCCC2 40107472 PMKPVCBGJLQQEY-GOSISDBHSA-N 352.482 3.691 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1nnc(-c2ccccn2)s1 40145862 ZVJMRLWVGXMWCI-UHFFFAOYSA-N 365.393 3.848 0 40 FHAB CC(C)N1CC[C@H](CNC(=O)c2cc(Br)ccc2Cl)C1 40624706 KHJNCABPFBXPTB-LLVKDONJSA-N 359.695 3.563 0 40 FHAB O=S(=O)(CCNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 43272471 YYTRQCOGMPGDHL-UHFFFAOYSA-N 364.776 3.640 0 40 FHAB O=C(O)[C@H]1CC(=O)N(c2cc(-c3nc4ccccc4o3)ccc2Cl)C1 45887454 FVQHTMANVJUKOI-NSHDSACASA-N 356.765 3.586 0 40 FHAB Cc1cc(NC(=O)CCN2CCC[C@@H]2c2nc3ccccc3s2)no1 46437955 ZLLDDGIUQCAJNO-CQSZACIVSA-N 356.451 3.758 0 40 FHAB CN(C)c1ccccc1NC(=O)NC1CCN(Cc2ccccc2F)CC1 47486723 FSEOZOWHXLMGBQ-UHFFFAOYSA-N 370.472 3.678 0 40 FHAB CC(=O)Nc1sc2c(c1CN1CCN(c3ccccc3)CC1)CCCC2 54072955 AVKXEZTVKKTJNY-UHFFFAOYSA-N 369.534 3.908 0 40 FHAB CCCC(=O)N1CCC[C@H](C(=O)Nc2ccc(N3CCCCC3)cc2)C1 54815124 SQQLUPFZZOLTOX-KRWDZBQOSA-N 357.498 3.654 0 40 FHAB CCN(CC)C(=O)CCNC(=O)N(C)Cc1ccc(-c2ccccc2)cc1 56455500 GCJQRIMNILETFY-UHFFFAOYSA-N 367.493 3.754 0 40 FHAB Cc1ccc(-c2nc(C)sc2CC(=O)NCCCOCC2CC2)cc1 58006206 APOZZUFATRIIAG-UHFFFAOYSA-N 358.507 3.902 0 40 FHAB CC[C@H](C(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1)c1ccccc1 58210091 WTKILMVLIOIWSX-FQEVSTJZSA-N 356.510 3.677 0 40 FHAB Cc1ccc(NC(=O)C(=O)NCCOc2cccc3ccccc23)cc1C 59417431 MTOWCCTVCVFLAA-UHFFFAOYSA-N 362.429 3.590 0 40 FHAB Cc1cccnc1Nc1cccc([C@@H]2CCCN2Cc2cnn(C)c2C)n1 72375343 KOBVDAIUYBPGEY-IBGZPJMESA-N 362.481 3.908 0 40 FHAB O=C(NCC1CCC(c2ccnc(Nc3ccccn3)n2)CC1)C1CCC1 72377856 BVYWEJGWUMPHKE-UHFFFAOYSA-N 365.481 3.805 0 40 FHAB Cc1ccccc1CSCC(=O)N(C)Cc1nc(-c2ccccc2)no1 78579150 PXSUCONHVHODLB-UHFFFAOYSA-N 367.474 3.937 0 40 FHAB C[C@H](c1ccccc1)N(CC(N)=O)Cc1ccc(OCC(F)(F)F)cc1 79098186 XQQPDXASCJHMLX-CQSZACIVSA-N 366.383 3.676 0 40 FHAB CCOC[C@@H]1CCN([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 81522139 WMMXOHNOHWSBNJ-UZLBHIALSA-N 356.441 3.864 0 40 FHAB CCNc1ncc(C(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)s1 84791144 XTLILVOXTMFWKT-NSHDSACASA-N 373.457 3.699 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1 95392597 CBLIFZBJSWKPKW-UTUOFQBUSA-N 350.513 3.551 0 40 FHAB C[C@@H]1CCCC[C@H]1OCCNCc1c(C(F)(F)F)nn(C)c1Cl 96006933 RDSJKCWLSCPGKM-ZYHUDNBSSA-N 353.816 3.777 0 40 FHAB COc1ccc2c(ccn2CCNC(=O)CCc2c[nH]c3ccccc23)c1 96115021 SVQLWJWRZSCHNN-UHFFFAOYSA-N 361.445 3.880 0 40 FHAB biogenic COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccccc1F 222778152 MCOVBFNNHBEDDK-MRXNPFEDSA-N 359.397 3.632 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)c1 223491527 KWRZOYWZRXQPSJ-JKSUJKDBSA-N 357.450 3.965 0 40 FHAB CCCC[C@@H](CC)CNC(=O)[C@@H](CC)N(c1ccccc1)S(C)(=O)=O 224297376 HZQDZIIRRLDEIC-SJLPKXTDSA-N 368.543 3.564 0 40 FHAB CCN(CCCNC(=O)c1cccc(OC)c1OC)c1ccc(C)cc1 225049875 CFCXUFGRNROWPJ-UHFFFAOYSA-N 356.466 3.659 0 40 FHAB COc1ccc(CCCNC(=S)Nc2ccc(OC)c(OC)c2)cc1 225556061 MSNCQIDEWLGARK-UHFFFAOYSA-N 360.479 3.632 0 40 FHAB CC[C@H]1CCCCN1CCCNC(=O)Cc1cccc(Br)c1 225620843 MDCXRPLGNVXIIK-KRWDZBQOSA-N 367.331 3.762 0 40 FHAB O=C(NCc1cncc(-c2cccs2)c1)c1cc2ccccc2oc1=O 225664399 LCVSSDCVLNFOPP-UHFFFAOYSA-N 362.410 3.847 0 40 FHAB CCN1C(=O)C2(c3cc(O)ccc3Oc3ccc(O)cc32)c2ccccc21 226759133 ALLNJSSEGSGJME-UHFFFAOYSA-N 359.381 3.904 0 40 FHAB COc1ccc(C(=O)Nc2ccc(N)cc2Br)cc1Cl 227157297 DXONYAVKZFURMV-UHFFFAOYSA-N 355.619 3.946 0 40 FHAB Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)C3CCC(F)(F)CC3)C2)n1 257209523 BQTBPDZAIFPFNL-OAHLLOKOSA-N 351.441 3.597 0 40 FHAB Cc1csc(Nc2cccc(C3CCN(c4ncccn4)CC3)n2)n1 257280618 OLPDLGGCPDEFPE-UHFFFAOYSA-N 352.467 3.764 0 40 FHAB CCCN1C(=O)S/C(=C\c2cccn2-c2ccc(N(C)C)cc2)C1=O 408959578 BIUGLGXNRBQKFW-LGMDPLHJSA-N 355.463 3.990 0 40 FHAB CO[C@@H](C)c1nc(CNC(=O)NCC2CCc3ccccc3CC2)cs1 527792641 COARZCTUKYXVAZ-AWEZNQCLSA-N 373.522 3.845 0 40 FHAB O=C(CSCc1ccccc1)N1CC[C@H](n2cnc3ccccc32)C1 575615319 CYXJDZLWZJRHTC-KRWDZBQOSA-N 351.475 3.743 0 40 FHAB Cc1nn(CCNC(=O)[C@H](C)Oc2ccccc2)c(C)c1-c1ccsc1 575616076 VRQIYYXTZGFUDW-INIZCTEOSA-N 369.490 3.812 0 40 FHAB COc1ccc(SC)c(OC)c1C(=O)N1CC2(CCCC2)OC[C@@H]1C 622969294 GGEATAXNAXDVBU-ZDUSSCGKSA-N 365.495 3.599 0 40 FHAB O=C(O)c1sccc1CN1CCC(Cc2nc(C3CCC3)no2)CC1 629374126 SGNLNVYBKMMSPI-UHFFFAOYSA-N 361.467 3.552 0 40 FHAB COc1ccnc(CNC(=O)N[C@H](C)[C@H]2CCCc3ccccc32)c1F 952993313 OSDODZGGGZCREZ-UKRRQHHQSA-N 357.429 3.537 0 40 FHAB COC(=O)c1ccc(CNC(=O)c2ccc3ccn(C(C)C)c3c2)cc1 1565524343 GGWLVDAVPWEBEY-UHFFFAOYSA-N 350.418 3.939 0 40 FHAB COc1ccc(-c2nsc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)n2)cc1 1775976816 UZBBLYQQLZQFPD-HZPDHXFCSA-N 351.431 3.956 0 40 FHAB O=C(NC[C@H](O)c1ccc(-n2cccn2)cc1)c1cc2ccccc2s1 1888982184 HFIFMFNNQIRNNQ-KRWDZBQOSA-N 363.442 3.550 0 40 FHAB Cc1cc(C)c(C)c(S(=O)(=O)N2C(=S)N=C(O)[C@H]2CC(C)C)c1C 631305 UAWXOIGLGGWPNG-CQSZACIVSA-N 368.524 3.581 0 40 FHAB O=C(Nc1cccnc1)c1cc(Br)ccc1Br 642747 VNLWZTHRSKBBBN-UHFFFAOYSA-N 356.017 3.859 0 40 FHAB CCc1n(C[C@@H](O)COc2ccc(C(C)C)cc2)c2ccccc2[n+]1C 889904 CBTSSZQMNDUFKB-GOSISDBHSA-N 353.486 3.592 0 40 FHAB CCSc1nnc2n(-c3ccccc3)c(=O)c3c(C)c(C)sc3n12 985191 ZJVFEWKXMSTTKY-UHFFFAOYSA-N 356.476 3.824 0 40 FHAB CSc1nnc2c(n1)O[C@H](C)N(C(=O)c1ccccc1)c1ccccc1-2 1007359 MNYNKQILFQZHQJ-GFCCVEGCSA-N 364.430 3.646 0 40 FHAB CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2ccc(F)cc2)NC(=S)N1 1299607 HUOPVEKRDGLHLI-SFHVURJKSA-N 369.465 3.874 0 40 FHAB CN(C(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2)c1ccccc1 2633383 ZHQNWHKSGSIBAM-UHFFFAOYSA-N 374.440 3.933 0 40 FHAB COc1cccc2cc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)oc12 2686642 WHWNYCCITBAOCA-UHFFFAOYSA-N 372.442 3.932 0 40 FHAB O=C(c1ccccc1)c1ccccc1NC(=O)[C@@H]1COc2ccccc2O1 2708046 RCAIKGYNACNYSI-FQEVSTJZSA-N 359.381 3.696 0 40 FHAB O=C(COC(=O)c1ccc(Br)o1)Nc1cccc2ccccc12 3262578 YZZBTLLHIGKDMM-UHFFFAOYSA-N 374.190 3.991 0 40 FHAB Cc1nnc(S[C@H](C)C(=O)N(C)c2ccccc2)n1Cc1ccccc1 3324511 FEPCMRPGNDAUQU-OAHLLOKOSA-N 366.490 3.778 0 40 FHAB CC1(C)CC(NC(=S)Nc2ccc(OC(F)F)cc2)CC(C)(C)N1 3619729 LFXOPEBBUBETAF-UHFFFAOYSA-N 357.470 3.884 0 40 FHAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C/C(=N\NC(N)=S)CC[C@@]43C)[C@H]1CC[C@@H]2O 4028045 YSALUCJHTGLMGQ-PMFWTRIXSA-N 363.571 3.579 0 40 FHAB O=C1OCC[C@@H]1Sc1nnc(-c2ccccc2F)n1Cc1ccccc1 4244428 HQEQZRBTXJATMZ-INIZCTEOSA-N 369.421 3.540 0 40 FHAB C[C@@H](Sc1nc(-c2ccccc2)cn1N)C(=O)Nc1ccc(F)cc1 4251925 PQGUUOCBCUCPAW-GFCCVEGCSA-N 356.426 3.522 0 40 FHAB CCOc1ccc(-n2c(SCC(=O)NC3CC3)nc3ccccc32)cc1 4253685 LTMPJBFDIMBIKO-UHFFFAOYSA-N 367.474 3.795 0 40 FHAB O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)NCc1ccco1 4496086 PXMSHDKRGJKYBS-UHFFFAOYSA-N 359.838 3.799 0 40 FHAB c1cncc(-c2nnc3sc(COc4ccc5ccccc5c4)nn23)c1 4511771 IBPOJKWQTGPZOR-UHFFFAOYSA-N 359.414 3.980 0 40 FHAB COc1ccc(Cc2nn3c(-c4cccs4)nnc3s2)cc1OC 4511856 NPPXXDPKTIQMQO-UHFFFAOYSA-N 358.448 3.522 0 40 FHAB CCOC(=O)Nc1ccc(NC(=O)CCc2ccc(OC)cc2)cc1OC 4761503 ZPEIWMYCTJRMMK-UHFFFAOYSA-N 372.421 3.844 0 40 FHAB CCCCc1nc(=O)c2c(COC)cc(C)nc2n1Cc1ccccc1 4771569 NGBKMYNGEGRAOZ-UHFFFAOYSA-N 351.450 3.637 0 40 FHAB NC(=O)c1ccccc1NC(=O)c1ncoc1-c1ccc2ccccc2c1 5002075 AMRPWMFRIFZHCZ-UHFFFAOYSA-N 357.369 3.846 0 40 FHAB Cc1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 5506166 ZIMKXIQFLFFOHO-UHFFFAOYSA-N 372.730 3.858 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(Cl)c(C)c2)nc1 5958791 ZXFRQFOUEDEQJI-UHFFFAOYSA-N 354.859 3.866 0 40 FHAB O=C(OCCOc1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1 5970506 YHIIASCIRUPHFZ-UHFFFAOYSA-N 368.433 3.553 0 40 FHAB COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccc(C)cc3)n2)cc1 6141531 VPYJESALIAEWIN-ZDUSSCGKSA-N 368.462 3.908 0 40 FHAB CCc1cccc(C)c1NC(=O)CSc1nnc2[nH]c3ccccc3n12 6473832 UENVFPXAQIMUFL-UHFFFAOYSA-N 365.462 3.812 0 40 FHAB CCc1nonc1NC(=O)c1oc2ccc(Br)cc2c1C 6743420 FUTQJVKZYBBDTN-UHFFFAOYSA-N 350.172 3.701 0 40 FHAB O=C(NC(=S)Nc1cccc(-c2ccc(CO)o2)c1)c1ccccc1F 6815982 ZGFUWDYVGIWNRU-UHFFFAOYSA-N 370.405 3.705 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 7928293 INKDTJKBAGCVJU-CYBMUJFWSA-N 358.825 3.730 0 40 FHAB O=C(Cn1ncc2ccccc2c1=O)Nc1ccccc1-c1ccccc1 8240799 CFLLTXMZHNRUPQ-UHFFFAOYSA-N 355.397 3.702 0 40 FHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1ccccc1Cl 8349537 AMHVGLRGFVUGTD-AWEZNQCLSA-N 354.841 3.683 0 40 FHAB CN(C(=O)c1cccs1)c1ccccc1C(=O)NCCc1ccccc1 8375264 SPLKJVJDCUHERZ-UHFFFAOYSA-N 364.470 3.997 0 40 FHAB C[C@H](OC(=O)c1cccc2c1O[C@@H](C)[C@@H]2C)C(=O)N1CCc2ccccc21 8481405 SMCMPNIZBKBMSQ-KKUMJFAQSA-N 365.429 3.706 0 40 FHAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(F)c(F)c2)c1 10492087 SGLMBUBHBACQTJ-UHFFFAOYSA-N 360.389 3.833 0 40 FHAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)Nc1cccc2cccnc12 10914186 YDRMJYPCSFVQPA-UHFFFAOYSA-N 367.459 3.856 0 40 FHAB COc1cccc(/C=C/C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 11001786 RTVYBVFBTDAGGF-QFQMRYFISA-N 364.445 3.586 0 40 FHAB Cc1cccc(-c2nnc([C@H](C)Sc3nnnn3Cc3ccco3)o2)c1 11313353 BOOMSWKKANQBJS-LBPRGKRZSA-N 368.422 3.526 0 40 FHAB Cn1c(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)nc2ccccc21 12116312 HXNNFUUXQZBYNN-UHFFFAOYSA-N 352.413 3.568 0 40 FHAB COc1cccc(C2(NC(=O)Cc3ccc4c(c3)OCO4)CCCC2)c1 12155289 OUPPGACDSGNTQQ-UHFFFAOYSA-N 353.418 3.552 0 40 FHAB CCCc1ncc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)cn1 12242175 NWPBPVSPDJBKJZ-PMSBKCLSSA-N 355.457 3.583 0 40 FHAB O=C(NCc1nc2ccccc2n1C[C@@H](O)c1ccccc1)c1ccccc1 12540255 COGCWWWZGFFNBT-OAQYLSRUSA-N 371.440 3.700 0 40 FHAB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)CSc1nnnn1-c1ccccc1 12656870 GZMSBOHTKFHPNA-UAGQMJEPSA-N 374.510 3.758 0 40 FHAB O=C(O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 13259464 BXVLVNBARSOGIP-MRXNPFEDSA-N 374.396 3.530 0 40 FHAB Cc1cc(C)cc(N2C[C@H](c3nnc(NC(=O)CC(C)C)s3)CC2=O)c1 13944397 BCAIARCDBGMVSM-CQSZACIVSA-N 372.494 3.660 0 40 FHAB O=C(c1n[nH]c(=O)c2ccccc12)N(Cc1c(F)cccc1Cl)C1CC1 14186815 OUUGUJJYYLYYEH-UHFFFAOYSA-N 371.799 3.520 0 40 FHAB C[C@@H](NC(=O)CSc1ccc(F)c(F)c1)c1ccc(-n2cncn2)cc1 14247994 UQTTWHFRVWJWLY-GFCCVEGCSA-N 374.416 3.515 0 40 FHAB CN(Cc1ccc2ccccc2c1)C(=O)CCNC(=O)NC1CCCCC1 14899230 BTIGXJQRBPJJMZ-UHFFFAOYSA-N 367.493 3.820 0 40 FHAB O=C(CN1CCN(c2ccccc2Cl)CC1)c1c[nH]c2ccccc12 14915498 MWNJJQODGXUDCK-UHFFFAOYSA-N 353.853 3.826 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CN(C[C@H](O)c1cc(C)ccc1C)CC3 19132160 SVCONGBOIOFEPC-QFIPXVFZSA-N 350.462 3.885 0 40 FHAB COc1ccc(C)cc1CN1C[C@@H]2CCC[C@H](C1)C2(O)c1ncccc1C 19133233 MVIJRIXUBRTWSZ-DETIRCLXSA-N 366.505 3.827 0 40 FHAB Fc1ccc(OCc2cc([C@@H]3CCN(Cc4cccnc4)C3)n[nH]2)cc1 19704840 DPEGXQZVHQGKTC-MRXNPFEDSA-N 352.413 3.512 0 40 FHAB CCC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CCc2ccccc2C1 20120941 HHEQFZZYJGMPDN-FQEVSTJZSA-N 361.493 3.966 0 40 FHAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(C)c(O)c(C(=O)O)c1 20141344 BXBSBCAGUNWRNN-UHFFFAOYSA-N 370.188 3.967 0 40 FHAB CCc1nc2ccc(NS(=O)(=O)c3cc(C)ccc3OC)cc2s1 22255068 ACQNRSWGBZNEQF-UHFFFAOYSA-N 362.476 3.977 0 40 FHAB Cc1cc(C(=O)COC(=O)CSc2ccc3c(c2)CCC3)c(C)n1C 22536018 TUVVTMFUOZAUOI-UHFFFAOYSA-N 357.475 3.649 0 40 FHAB c1ccc(-n2cc(CNC[C@H](c3cccs3)N3CCCC3)cn2)cc1 23248931 GJCPGPGNOJJHOW-LJQANCHMSA-N 352.507 3.861 0 40 FHAB COc1ccc(CCC(=O)NCc2ccccc2CN2CCCCC2)cc1 24181945 CCZIWDJRGJODOD-UHFFFAOYSA-N 366.505 3.930 0 40 FHAB CC(=O)c1c(C)cc(C)c(COC(=O)c2ccc3c(c2)OCCO3)c1C 24965037 YUBXKTZDXFQHEQ-UHFFFAOYSA-N 354.402 3.943 0 40 FHAB O=C(CCOc1cccc(Cl)c1)Nc1cccc(N2CCOC2=O)c1 24985421 BXOGXKADEZQMOL-UHFFFAOYSA-N 360.797 3.704 0 40 FHAB CC(C)Oc1ccc([C@@H](O)CCN[C@H](CC(=O)O)c2ccccc2)cc1 27517023 BGWKFZXBUYGAAT-UXHICEINSA-N 357.450 3.703 0 40 FHAB CCOc1cccc(C(=O)Nc2nonc2-c2ccc(OC)c(C)c2)c1 27664656 BALGTKJNJKFGDV-UHFFFAOYSA-N 353.378 3.705 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)Nc1cc(C)nn1-c1ccc(F)cc1 28239893 FGEYYXLLEQAGDT-CQSZACIVSA-N 369.396 3.734 0 40 FHAB CCCCc1ccc(C(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 29477904 UIOPABCUGLDEGY-OAHLLOKOSA-N 374.506 3.510 0 40 FHAB COc1ccc2c(C[P@](=O)(O)CCc3ccccc3)cc(=O)oc2c1 32124520 MSQFFYKANUYSIL-UHFFFAOYSA-N 358.330 3.815 0 40 FHAB biogenic O=C(COc1cccc(NC(=O)c2ccco2)c1)NCC1CCCCC1 32817755 PPDWBRSLTXQZLT-UHFFFAOYSA-N 356.422 3.607 0 40 FHAB COCCn1c(SCC(=O)Nc2ccc(Cl)cc2F)nc(C)c1C 32893919 XINBDTLFFUTMLN-UHFFFAOYSA-N 371.865 3.670 0 40 FHAB COc1ccc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1OC 32901935 UWZOTKBMUVYDTQ-UHFFFAOYSA-N 363.417 3.510 0 40 FHAB Cc1ccc(C)c(CS(=O)(=O)[C@@H](C)C(=O)Nc2ccc(Cl)cc2)c1 32929583 MJZLJQJCWODZJM-AWEZNQCLSA-N 365.882 3.899 0 40 FHAB COc1ccc(CNS(=O)(=O)c2cc(C)c(Cl)cc2Cl)cc1 33875374 QBBZLQVICKTDCU-UHFFFAOYSA-N 360.262 3.789 0 40 FHAB Cc1nn(C)c2ncc(NC(=O)CO[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)cc12 36392379 JDWDKAMTUXPBIU-FDQGKXFDSA-N 358.486 3.693 0 40 FHAB Cc1ccc(CNc2ccc(C(=O)O)cc2I)cc1 39951857 KWWOVYCUDDLISD-UHFFFAOYSA-N 367.186 3.910 0 40 FHAB CN(C)c1c(Cl)cccc1NC(=O)CCCn1c(=O)oc2ccccc21 40105179 RJQOKRFQDDMWHW-UHFFFAOYSA-N 373.840 3.733 0 40 FHAB Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2)c(Br)c1 42646411 VTZLFAHGSMWTEA-LBPRGKRZSA-N 361.239 3.573 0 40 FHAB COC(=O)c1ccc(CS(=O)(=O)Nc2cccc3ccccc23)cc1 44900505 PNOYBZXYGVOIPP-UHFFFAOYSA-N 355.415 3.568 0 40 FHAB Cc1ccc(-c2nn3c(-c4ccccc4Br)nnc3s2)cn1 45221567 RUIHSGIXQQCYIJ-UHFFFAOYSA-N 372.251 3.986 0 40 FHAB Cc1cc([C@@H]2CCCN2C(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)no1 48139263 GVGPRNRGPAAIGX-XZOAIXRZSA-N 353.422 3.555 0 40 FHAB Cc1nc2cc(F)cc(C(=O)Nc3ccc4c(c3)OCCCO4)c2nc1C 48678291 KSFCEIYNKMKIFE-UHFFFAOYSA-N 367.380 3.799 0 40 FHAB CCOC(=O)c1c(NCCc2cccs2)c2cccc(C)c2[nH]c1=O 49001467 FAWDZLJQKKYRIA-UHFFFAOYSA-N 356.447 3.729 0 40 FHAB C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1cccc[n+]1[O-])C1CC1 56223774 AENBQARGTKGTTC-GFCCVEGCSA-N 350.340 3.705 0 40 FHAB Nc1ccc2nn(-c3ccc(Br)cc3)nc2c1Br 57353822 MMSBKUZNOATYKZ-UHFFFAOYSA-N 368.032 3.528 0 40 FHAB O=c1[nH]c(CN2CCC[C@@H]2c2cccs2)nc2sc3c(c12)CCC3 57457282 KOKRYCKBYFSJTA-GFCCVEGCSA-N 357.504 3.872 0 40 FHAB COc1ccc(CN(C(=O)Cc2c(C)nn(CC(C)C)c2C)C2CC2)cc1 58018130 LATXDKZZINMUQF-UHFFFAOYSA-N 369.509 3.898 0 40 FHAB COCCOc1c(Cl)cccc1NC(=O)c1ccn(-c2ccccc2)n1 58190794 ZIOBZPNPSKKXGQ-UHFFFAOYSA-N 371.824 3.803 0 40 FHAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3cn(C)c(C)n3)ccc21 60341818 DFLQGOVELNALDZ-UHFFFAOYSA-N 368.462 3.657 0 40 FHAB O=C(Cc1ccc(-n2cnnn2)cc1)Oc1ccc(Cl)c2ccccc12 65515892 AYVFIHUJUIOGSF-UHFFFAOYSA-N 364.792 3.617 0 40 FHAB CC(C)(C)OC(=O)NCCCC(=O)Nc1ccccc1N1CCCCC1 71804454 REMPZROIZMBZHF-UHFFFAOYSA-N 361.486 3.920 0 40 FHAB O=C(C1CCCC1)N1CCCC[C@H]1c1ccnc(Nc2ccccn2)n1 72377946 MVPHVXREIGXESH-KRWDZBQOSA-N 351.454 3.859 0 40 FHAB Cc1ccc(C)c(N2CCN(c3nc4ccc(C)cc4n4cnnc34)CC2)c1 72422462 RKIKWHKBJDRMGG-UHFFFAOYSA-N 372.476 3.529 0 40 FHAB Cc1noc(-c2ccccc2C(=O)Nc2ccc(NC(=O)C3CC3)cc2)n1 76040676 HETWQSNHASKSIG-UHFFFAOYSA-N 362.389 3.646 0 40 FHAB O=C(c1ccc(Oc2cccnc2)cc1)N1CC[C@H](CN2CCCCC2)C1 76041947 NAMXGOAMHCLEHU-GOSISDBHSA-N 365.477 3.822 0 40 FHAB O[C@@H](c1ccccc1)c1nc2ccccc2n1C[C@@H](O)COc1ccccc1 82086772 ZRDFPSVZSFPBFL-GCJKJVERSA-N 374.440 3.558 0 40 FHAB O=C(N[C@H]1CCCc2occc21)c1nnn(-c2ccc(F)cc2)c1C1CC1 84421906 YQZNRDWEDGWOBE-INIZCTEOSA-N 366.396 3.684 0 40 FHAB Cc1cc(C(=O)NCc2cnc(C)s2)nc(-c2ccc(Cl)cc2)n1 89600659 RMQAVAGCDBEFDN-UHFFFAOYSA-N 358.854 3.800 0 40 FHAB C[C@H](Oc1ccc(-c2cc(C(F)(F)F)cnc2N(C)C)cc1)C(=O)O 91695558 AVVGOXGPSAAELM-JTQLQIEISA-N 354.328 3.685 0 40 FHAB CC(C)N(CC(=O)OC(C)(C)C)C(=O)c1ccc(F)cc1Br 95451964 BMNFRLBEIZGFQG-UHFFFAOYSA-N 374.250 3.781 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)N1CCC(O)(c2ccc(Cl)cc2)CC1 95471747 KEMYFAZWEFPDNI-UHFFFAOYSA-N 368.864 3.874 0 40 FHAB COC[C@H]1CN(Cc2ccc(OC)cc2)Cc2cn(CC3CCCC3)nc21 96059995 FHESDCOEKIDUIT-HXUWFJFHSA-N 369.509 3.828 0 40 FHAB Cc1cccc(COC[C@H]2CC3(CCN(Cc4ccco4)CC3)CO2)n1 96207297 XCCLDRNSRLHJJW-HXUWFJFHSA-N 356.466 3.571 0 40 FHAB CC(C)Cc1sc(Cl)nc1C(=O)Nc1nnc([C@H]2CCCO2)s1 96231422 HJIASZIDJIZOPC-MRVPVSSYSA-N 372.903 3.950 0 40 FHAB Cc1cccc(NC(=O)N2CC[C@@]3(CC(=O)N(c4ccccc4C)C3)C2)c1 96238612 LCCPCFUSDHBIFM-JOCHJYFZSA-N 363.461 3.964 0 40 FHAB C/C=C/c1ccc(OC[C@H](O)CN[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c(OC)c1 107451166 IWELEXKPLMYMSX-AWGFLKMYSA-N 359.510 3.882 0 40 FHAB Cc1nc(CN2CCC(CNC(=O)c3csc(Cl)c3)CC2)oc1C 189274876 HENQVLMUVAZKQA-UHFFFAOYSA-N 367.902 3.648 0 40 FHAB CC[C@@H](NC(=O)COc1cc(OC)cc(OC)c1)c1ccc(C)cc1C 218898784 OYKZELXWWGHELD-HXUWFJFHSA-N 357.450 3.967 0 40 FHAB COc1cccc(O[C@H](C)C(=O)NCCOc2cccc3ccccc23)c1 223550996 JANVJWFOBXSKEX-MRXNPFEDSA-N 365.429 3.811 0 40 FHAB COc1ccc(C(=O)N2CCS/C2=C/c2csc(C)n2)cc1OC 225258143 WOTXBROCAKHMEQ-CXUHLZMHSA-N 362.476 3.656 0 40 FHAB CCSc1nnc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)s1 225295507 CWXZAGPYTYNGTJ-UHFFFAOYSA-N 373.507 3.764 0 40 FHAB COc1cccc(-c2noc(CNC(=S)Nc3ccccc3Cl)n2)c1 225821805 DUMSXJZIEVHTCO-UHFFFAOYSA-N 374.853 3.885 0 40 FHAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@@H]2c2cnccn2)cn1 257203560 AQQYGWMPHBJJKP-HXUWFJFHSA-N 360.417 3.574 0 40 FHAB COCCC(=O)N[C@@]1(C)C[C@H](Cc2ccccc2)O[C@@H]2C[C@H](C)CC[C@H]21 257211222 BXZJHPIETRDEIH-GGPUMOOHSA-N 359.510 3.734 0 40 FHAB Cc1cc(O)cc(C2CN(Cc3ccc(-c4ccccc4C(=O)O)o3)C2)n1 257218486 DDHXQLQFDLGCAE-UHFFFAOYSA-N 364.401 3.653 0 40 FHAB COc1cc(C)c(C(=O)[C@H](Br)CBr)cc1C 382674680 LHKUXMZXEGHZJZ-SNVBAGLBSA-N 350.050 3.653 0 40 FHAB CCc1cccc2c1OCC[C@H]2NC(=O)c1cnn(Cc2ccccc2)c1 507004453 ZWDJUNAMJYRINT-HXUWFJFHSA-N 361.445 3.747 0 40 FHAB O=C(Nc1n[nH]c(-c2ccccc2Br)n1)[C@H]1CC12CCCC2 531333686 LPWNZQHQGCBMPC-LLVKDONJSA-N 361.243 3.753 0 40 FHAB Cc1c(Cl)cccc1S(=O)(=O)NCC[C@H](CCO)c1cccs1 575608261 RITBEMLEDVTPRF-CYBMUJFWSA-N 373.927 3.545 0 40 FHAB COC[C@@H]1CN(Cc2cccs2)CC12CCN(Cc1ccoc1)CC2 585104248 XCRYSKWSQSIYGQ-SFHVURJKSA-N 360.523 3.702 0 40 FHAB O=C(NCCCc1ccccc1)NC[C@@H](O)c1ccc(-c2ccco2)cc1 585148057 BXPQQSJDWRWRCK-HXUWFJFHSA-N 364.445 3.912 0 40 FHAB Cc1ccsc1-c1nc(=NC(=O)N2CCCC(F)(F)CC2)s[nH]1 626506550 OLBLOQIVDAHEHK-UHFFFAOYSA-N 358.439 3.650 0 40 FHAB COc1ccccc1OCC(=O)N1CCOc2c1cccc2C(F)(F)F 653930957 WOAGLGNZZHLUKV-UHFFFAOYSA-N 367.323 3.518 0 40 FHAB O=C(NCc1csc(-c2ccccc2)n1)N1CC[C@@]2(CCCOC2)C1 671209256 UOOZSMBYRIKXDG-IBGZPJMESA-N 357.479 3.522 0 40 FHAB Cn1cnc2c(C(=O)NC(C)(C)c3ccc(C(F)(F)F)cc3)ccnc21 1288319969 ZJWNPOLCGSGKIF-UHFFFAOYSA-N 362.355 3.652 0 40 FHAB CC(=O)Nc1cc(NC(=O)CC2(CC(=O)O)CCCCC2)ccc1F 42734023 SIWWGNZOXLEFSP-UHFFFAOYSA-N 350.390 3.538 0 40 FHAB COc1ccc(-n2nc3ccc(NC(=O)c4ccccc4F)cc3n2)cc1 828054 KJPDXKRLOIZHBC-UHFFFAOYSA-N 362.364 3.821 0 40 FHAB O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCc1ccc(Cl)cc1 869773 YGMOMXDTXNRIKF-UHFFFAOYSA-N 371.790 3.751 0 40 FHAB Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccccc1N 1364420 PMZNUEPMKQKNRN-UHFFFAOYSA-N 358.854 3.693 0 40 FHAB Cn1ncc2c1N=C(O)CS[C@H]2c1cccc(OCc2cccnc2)c1 79495535 XHBXTNJPBXRXPZ-SFHVURJKSA-N 366.446 3.818 0 40 FHAB CCOc1ccc(NC(=O)c2sc3nc(C)cc(COC)c3c2N)cc1 3656389 PPURWRBDYNIQAX-UHFFFAOYSA-N 371.462 3.984 0 40 FHAB NC(=O)c1ccc(NCC(=O)Nc2cc(Cl)ccc2Cl)cc1Cl 55836739 BYWPDPYWPPTJQO-UHFFFAOYSA-N 372.639 3.796 0 40 FHAB Cc1ccccc1NC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 4856789 RSTFYUCCHONANF-NFQUHZNNSA-N 372.424 3.559 0 40 FHAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)N3CCCC3)cc2c1 4861494 XZTLSPZUWMHPSL-UHFFFAOYSA-N 365.433 3.648 0 40 FHAB O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)C1=NO[C@H](c2ccccc2)C1 107340565 WTDBFEAKPYCGAV-HSALFYBXSA-N 368.408 3.680 0 40 FHAB CCc1nn2c(=O)cc(CNc3cccc(Cl)c3Cl)nc2s1 25895067 SSCZIUNXCXHPDB-UHFFFAOYSA-N 355.250 3.632 0 40 FHAB COc1ccc([C@H](C)NC(=O)NCCOc2ccc(Cl)cc2)cc1F 25990005 GTMJOJIFHLSXDW-LBPRGKRZSA-N 366.820 3.927 0 40 FHAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2sc3cccc(F)c3c2C)no1 27101852 GOCKEDANEURAEQ-JTQLQIEISA-N 362.382 3.829 0 40 FHAB COCc1nc(C(=O)O[C@@H](C)c2nc3ccccc3n2C(F)F)cs1 58168631 PUBIDWHHIRHVHD-VIFPVBQESA-N 367.377 3.952 0 40 FHAB COc1ccc(CN(CC(=O)NCC(C)C)[C@H](C)Cc2cccs2)cc1 24892320 HNTLBVTZGHBHGD-QGZVFWFLSA-N 374.550 3.962 0 40 FHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 10237138 DQJHUGOBUGOJCH-ZDUSSCGKSA-N 362.437 3.688 0 40 FHAB CCCC(=O)Nc1cccc(CNC(=O)Cc2cccc3cccnc23)c1 58202521 LEHMBITXHSPMEC-UHFFFAOYSA-N 361.445 3.832 0 40 FHAB C[C@@H](Sc1ncc(-c2ccccc2)o1)C(=O)Nc1sccc1C(N)=O 58210869 WGZGDNPRASZLCA-SNVBAGLBSA-N 373.459 3.621 0 40 FHAB CC1(C)Cc2nc3oc4c(NCc5cccnc5)ncnc4c3cc2CO1 2196252 FJZDOBWENXFTSG-UHFFFAOYSA-N 361.405 3.629 0 40 FHAB CN(C)c1ccc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1F 58305718 KXMODLPZMNWIOW-UHFFFAOYSA-N 364.424 3.698 0 40 FHAB CCOc1ccc(-c2nsc(NC(=O)c3ccccc3)n2)cc1OC 27994137 OQOSWPNNDQFUTR-UHFFFAOYSA-N 355.419 3.865 0 40 FHAB CCc1ccc2oc(C(=O)Nc3nnc(CC(C)C)s3)cc(=O)c2c1 9194521 CIQTYNOPTRJGRN-UHFFFAOYSA-N 357.435 3.658 0 40 FHAB CO[C@H]1CC[C@H](C(=O)N2CCC(c3nc4ccccc4cc3N)CC2)CC1 100198254 MHNMRDQBAXHKAD-MAEOIBBWSA-N 367.493 3.728 0 40 FHAB CCC[C@H](NC(=O)CCn1cnc2sccc2c1=O)c1ccccc1 11238961 VPFZWZGVUJORDZ-INIZCTEOSA-N 355.463 3.506 0 40 FHAB Cc1cc(CNc2nc(-c3cccs3)cc(C(F)(F)F)n2)n(C)n1 36618652 LDVVBPGUZUZWJY-UHFFFAOYSA-N 353.373 3.878 0 40 FHAB Cc1cccc(-c2nnc([C@@H](C)Sc3nnnn3Cc3ccco3)o2)c1 11313348 BOOMSWKKANQBJS-GFCCVEGCSA-N 368.422 3.526 0 40 FHAB COc1ccc(C)cc1NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C 11427347 ABJVQILQAJKEQB-UHFFFAOYSA-N 363.417 3.628 0 40 FHAB Cc1c(Cl)cccc1NCC(=O)Nc1cccc(C(=O)NC2CC2)c1 11549345 QDPYRZJVWKFECV-UHFFFAOYSA-N 357.841 3.591 0 40 FHAB Cc1cccc(CN2CC3(CCN(C[C@H]4CC=CCC4)CC3)CC2=O)n1 108527745 JCROWQNVLMUBSC-IBGZPJMESA-N 353.510 3.561 0 40 FHAB CCc1noc([C@H](C)N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 12633934 JBMDOSHYFURJFN-LBPRGKRZSA-N 354.376 3.534 0 40 FHAB CC(C)(C)c1nc(CN2CCN(Cc3csc4ccccc34)CC2)no1 48234374 FEUPQOCXPMFAOM-UHFFFAOYSA-N 370.522 3.900 0 40 FHAB CC[C@@H](C)c1ccc(NC(=O)[C@@H](C)Oc2cccc(-n3cnnn3)c2)cc1 12735748 GNBANRAKKQAACI-HUUCEWRRSA-N 365.437 3.582 0 40 FHAB O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)NCCc1ccccc1 3307625 JFOANIKZCDJOAJ-UHFFFAOYSA-N 369.436 3.540 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(Cl)ccc2C)c1C 3321428 UUVHNMAARCZNGY-UHFFFAOYSA-N 362.813 3.591 0 40 FHAB O=C(COc1ccc(Cl)cc1Cl)NCCCN1CCCCCC1 10111075 GKULHMNQSHHWHT-UHFFFAOYSA-N 359.297 3.755 0 40 FHAB CCOc1ncccc1C(=O)OCc1cc(=O)oc2c(C)c(C)ccc12 3416190 NTKCVZWBUUFTHJ-UHFFFAOYSA-N 353.374 3.561 0 40 FHAB O=C(NC1CC1)c1cccc(OCc2ccc(OC[C@H]3CCCO3)cc2)c1 95454306 SUAQYHHPJAQECP-OAQYLSRUSA-N 367.445 3.716 0 40 FHAB Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c1 3442865 DQBYRAKKQZCDSV-SNVBAGLBSA-N 353.205 3.881 0 40 FHAB COc1ccc([C@H](C)NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cc1 28238325 QVYRPJRVSPGWFQ-NSHDSACASA-N 367.371 3.665 0 40 FHAB COc1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1C 12943534 QPQVBDWPTHTDMI-KRWDZBQOSA-N 353.418 3.752 0 40 FHAB COc1cccc(NC(=O)CN2CC=C(c3c[nH]c4ccccc34)CC2)c1 12917520 SVWQSAAZZQSNKE-UHFFFAOYSA-N 361.445 3.904 0 40 FHAB Cc1cc(C)c(NC(=O)CNC(=O)CCCC(=O)c2cccs2)c(C)c1 13014738 PVSGLNVFRODSRM-UHFFFAOYSA-N 372.490 3.781 0 40 FHAB C[C@@H]1Cc2ccc(Br)cc2[C@H]1NCCCOC[C@@H]1CCOC1 95451032 INOYTRZJPUSKDE-GLJUWKHASA-N 368.315 3.715 0 40 FHAB O=C1C=C(N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)C2(CCCCC2)O1 4101122 ROTMHQLXSBSDJI-UHFFFAOYSA-N 370.537 3.716 0 40 FHAB COc1cccc([C@H](NC(=O)Cc2ccccc2Cl)c2nccn2C)c1 29090969 INNQFXGWYRYDEP-IBGZPJMESA-N 369.852 3.530 0 40 FHAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CN(C)c1ccc2ccccc2c1 5262067 WVXUCSNOVZUQKR-QFIPXVFZSA-N 360.457 3.593 0 40 FHAB C[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1nnc2ccccn12 14119850 HUMHXXYWUKLBBZ-SECBINFHSA-N 350.209 3.919 0 40 FHAB CC(=O)Nc1cccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 14180332 CGFVDNYUQZZZTJ-UHFFFAOYSA-N 350.378 3.619 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1C 6438985 XHXXGDDIJHCMSS-KRWDZBQOSA-N 374.506 3.713 0 40 FHAB O=C(CCC(=O)NC1CCCCCCCCCCC1)NC[C@@H]1CCCO1 4678995 LACXGVDGGMHJMM-IBGZPJMESA-N 366.546 3.851 0 40 FHAB Cc1ccc(C2=Nn3c(CNc4ccc(F)cc4)nnc3SC2)cc1 19897520 CWWNHAMYXYVWPR-UHFFFAOYSA-N 353.426 3.696 0 40 FHAB Cc1nc(Cc2nnc(SCC(=O)Nc3c(C)cccc3C)o2)cs1 5834256 OZCIZDFTGWHIIN-UHFFFAOYSA-N 374.491 3.773 0 40 FHAB COc1cccc(C(=O)CSc2nnc(-c3cccc(C)c3)n2C)c1 9582611 PIWVVQGHZZJCSJ-UHFFFAOYSA-N 353.447 3.774 0 40 FHAB O=C(/C=C/c1ccc(SC(F)(F)F)cc1)NOCc1cccnc1 89794036 MSKXMPDEZDANTG-VMPITWQZSA-N 354.353 3.955 0 40 FHAB COC(=O)c1occc1CNC(C)(C)COc1ncc(Cl)cc1Cl 89761832 RVKCBTFXJQFORA-UHFFFAOYSA-N 373.236 3.715 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2-n2cncn2)c1 7683436 CKGXZBLHLNPRBL-CYBMUJFWSA-N 356.813 3.635 0 40 FHAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1cc(C(F)(F)F)ccc1F 27974336 UOELEYMHXMWKDE-SECBINFHSA-N 371.286 3.979 0 40 FHAB O=C(CN(Cc1ccco1)C(=O)Cc1ccccc1F)Nc1ccccc1 16182880 YJTLREZJJQGYIF-UHFFFAOYSA-N 366.392 3.629 0 40 FHAB Cc1ccccc1CC(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1 7863494 FUIAYZUOZGPSCY-UHFFFAOYSA-N 351.324 3.738 0 40 FHAB CCOc1ccc(N2C(=O)CS[C@@H]2c2ccc(OC)c(OC)c2)cc1 19927254 BEXPKFZCVRPDLV-LJQANCHMSA-N 359.447 3.881 0 40 FHAB CN(Cc1cccc2ccccc12)C(=O)NC[C@@H]1COc2ccccc2O1 83864192 MNFBABZMUFKBQN-GOSISDBHSA-N 362.429 3.821 0 40 FHAB Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C 89505700 IOBUOQNPPFOFFO-JTQLQIEISA-N 368.403 3.864 0 40 FHAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1C(F)(F)F 28727468 HJZRZNPNQQBYEM-LBPRGKRZSA-N 372.412 3.546 0 40 FHAB COc1cc2ccccc2cc1C(=O)N1CCN(c2ccc(F)cc2)CC1 20492170 SFOIRGKEHCVFKL-UHFFFAOYSA-N 364.420 3.950 0 40 FHAB CC(C)NC(=O)[C@H](c1ccccc1)[C@H](C(=O)NC(C)C)c1ccccc1 18193543 IOTOCXXXGKIUAM-WOJBJXKFSA-N 352.478 3.603 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H](C)Sc1nnc(NC2CC2)s1 18467244 RKUZGTOWQKIYGF-SNVBAGLBSA-N 364.496 3.630 0 40 FHAB CC1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(C(C)(C)C)cc1 71979873 OPMTVTCOXHAGGX-CXJKMVGQSA-N 359.466 3.816 0 40 FHAB CCOc1ccccc1O[C@@H]1CCC[C@@H]1NC(=O)c1c[nH]c(C(C)C)n1 72304276 FBPUJQCGBLDGML-GOEBONIOSA-N 357.454 3.662 0 40 FHAB O=C(Cc1c(Cl)cccc1Cl)NCc1nnc(C2CC2)n1C1CC1 95939674 ZNFOCTDNMZIIPL-UHFFFAOYSA-N 365.264 3.656 0 40 FHAB c1cc2cc3c(cc2c2c1C[C@H]1c4cc5c(cc4CCN1C2)OCO5)OCO3 31719557 JTWGJPMYQMXGHT-IBGZPJMESA-N 373.408 3.953 0 40 FHAB Cc1nn(C)c2ncc(C(=O)Nc3ccc4oc(C(C)(C)C)nc4c3)cc12 33216028 FFJYPZXXWLIITL-UHFFFAOYSA-N 363.421 3.968 0 40 FHAB CCOc1ccccc1-c1nc(SCC(=O)Nc2ccccc2F)n[nH]1 408527234 LEJRDXNKKSRIJF-UHFFFAOYSA-N 372.425 3.740 0 40 FHAB COc1ccc2cc(NC(=O)CCc3ccc(OC)c(OC)c3)cnc2c1 72247564 KUHRGUQZKWSFNU-UHFFFAOYSA-N 366.417 3.832 0 40 FHAB CCCN1CCCc2cc(CCNS(=O)(=O)c3ccc(C)cc3)ccc21 35588119 RVSPMHBMSJIBHV-UHFFFAOYSA-N 372.534 3.679 0 40 FHAB COc1ccc2cc(C(=O)Nc3ccc(Br)cc3)c(=O)oc2c1 33809556 UYEFICABCBRROH-UHFFFAOYSA-N 374.190 3.816 0 40 FHAB O=C(c1ccncc1)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 72358718 DAJBQWLKNOMYIN-KRWDZBQOSA-N 362.408 3.698 0 40 FHAB CCCS(=O)(=O)c1ccccc1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 33157257 SGUFSIXKVGJQBN-LBPRGKRZSA-N 367.417 3.640 0 40 FHAB CC[C@H](Oc1ccccc1C)C(=O)NCc1nc(-c2ccc(C)cc2)no1 219315519 VRBHGLNQDVNLTM-KRWDZBQOSA-N 365.433 3.827 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 224666426 AIQRJXBHVAPJRV-INIZCTEOSA-N 372.896 3.826 0 40 FHAB Cc1nc(NC(=O)COC2CCCC2)sc1Cc1ccc2c(c1)OCO2 40140479 AAIAICPCTGEFDJ-UHFFFAOYSA-N 374.462 3.669 0 40 FHAB O=C(O)c1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cc(F)cc(F)c2)cc1 40282950 YDCGJZPFUDQUAS-OAHLLOKOSA-N 369.327 3.972 0 40 FHAB COc1ccccc1OCC(=O)Nc1ccc(CN2CCC[C@H](C)C2)cc1 46934247 NUYDWTNOEDLVJG-KRWDZBQOSA-N 368.477 3.945 0 40 FHAB CCOC(=O)N1CCN(C(=O)[C@H](CC)Sc2ccc(Cl)cc2)CC1 44900286 HPTLTMYWFCSHFB-HNNXBMFYSA-N 370.902 3.511 0 40 FHAB CC1CCN(c2cc(Cl)nc(NC(=S)NC3CCCCC3)n2)CC1 226009451 FXBIETNGZXLLCN-UHFFFAOYSA-N 367.950 3.985 0 40 FHAB O=C(COc1cccc2c1CCCC2)NCCSCc1ccccc1 223730665 SDRQAJNCXLHDBR-UHFFFAOYSA-N 355.503 3.994 0 40 FHAB CCC[C@@H](C)NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)cc1 225807803 FBSXBLSNPXJNJN-VVTMIQRTSA-N 372.490 3.832 0 40 FHAB COc1ccc(NC(=O)c2ccc3c(c2)OCC2(CC2)CO3)c(OC)c1 225365870 XCEQXZAPOXEROS-UHFFFAOYSA-N 355.390 3.508 0 40 FHAB Cn1c(C[C@H]2CN(C3CCCCC3)CC[C@H]2CC(=O)O)nc2ccccc21 514288866 GDADQIVZJSVGJV-IRXDYDNUSA-N 369.509 3.861 0 40 FHAB biogenic,in-vitro CC[C@H](C)N[C@H]1CC2(CCN(c3ncccn3)CC2)Oc2ccccc21 96242794 GAIUIXIDXPVBKL-WMZOPIPTSA-N 352.482 3.728 0 40 FHAB CC(C)CN1Cc2ccccc2C2(CCN(C(=O)c3ccco3)CC2)C1 96242534 AFURKHQSHNYZRU-UHFFFAOYSA-N 352.478 3.925 0 40 FHAB Cc1ccc(CC(=O)N2CC[C@@]3(C[C@H]3C(=O)Nc3cccc(F)c3)C2)cc1 96227243 WYUKYHVMRJADSN-SIKLNZKXSA-N 366.436 3.554 0 40 FHAB Cc1ccc(C(=O)N2CCCc3c(-c4cccnc4)nn(C)c3C2)cc1F 96254501 MSIVIRDDKRLQIT-UHFFFAOYSA-N 364.424 3.518 0 40 FHAB COc1cc2ccccc2cc1C(=O)N1CCN(c2ccccc2O)CC1 26526523 ZXVJUCRVLXGBJQ-UHFFFAOYSA-N 362.429 3.516 0 40 FHAB CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](Nc1ccc(F)cc1)CO2 257270838 MVVYIQACWCUDGV-MRXNPFEDSA-N 350.434 3.796 0 40 FHAB COC(C)(C)C(=O)N1CCC[C@H](c2csc(Nc3ccc(C)cn3)n2)C1 257264476 LUNRONLZVFPQNZ-AWEZNQCLSA-N 374.510 3.721 0 40 FHAB CC1(C)N[C@@H](c2cnc(-c3ccccn3)s2)N(c2ccccc2)C1=O 639421499 QJUBODUAGYMFGW-MRXNPFEDSA-N 350.447 3.619 0 40 FHAB COc1ccnc(N2CC[C@H]3[C@H](CCCN3C(=O)CCCC(C)(C)C)C2)n1 1775998149 TZBKTIBPMYBILE-SJORKVTESA-N 374.529 3.519 0 40 FHAB O=C(c1ccccc1N1CCCC1=O)N1CCC[C@@H](Nc2ccccc2)C1 1319266264 ITIJGTKECNDHMV-GOSISDBHSA-N 363.461 3.530 0 40 FHAB CO[C@@]1(CNC(=O)NC(c2ccccc2)c2ccccc2)CCSC1 96097786 WXPJVCDYBKGQPS-HXUWFJFHSA-N 356.491 3.597 0 40 FHAB Cc1noc(C)c1CN1CC[C@@]12CCCN(C(=O)C1(C)CCCCC1)C2 585102213 TZFRATMGQIPJGM-OAQYLSRUSA-N 359.514 3.829 0 40 FHAB CCc1nc2ccc(C(=O)N3CCCC[C@H]3c3ccnn3C)cc2s1 1775967068 DGZFRDSENIYGSK-INIZCTEOSA-N 354.479 3.960 0 40 FHAB CC(C)(C)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 5976527 ZAYMQALPMNMJAB-SFHVURJKSA-N 358.463 3.582 0 40 FHAB COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)[C@@H]3CCCO3)on2)cc1 12120252 YSSIGQDFPJJODK-OALUTQOASA-N 370.449 3.973 0 40 FHAB Cc1ccc2n1CCN(C(=O)c1cc3c([nH]c1=O)CCCCC3)[C@@H]2C(C)C 12290527 DGZMUPIGVZJSSD-HXUWFJFHSA-N 367.493 3.607 0 40 FHAB CC1CCC(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)CC1 13018093 FSABJBJSLHVXML-FBPXKMNZSA-N 364.489 3.723 0 40 FHAB CNC(=O)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2C)c1 13069341 DSCAJVGCVUMWTP-UHFFFAOYSA-N 360.841 3.806 0 40 FHAB C[C@@H](c1ccccc1)c1nnc(NC(=O)c2ccc3c(c2)OCO3)s1 13571158 HBERTCHGBHHVDT-NSHDSACASA-N 353.403 3.671 0 40 FHAB O=C(OCc1cc(=O)n2c3c(sc2n1)CCCC3)c1ccccc1Cl 15734165 WEJHZSMMKWRXIC-UHFFFAOYSA-N 374.849 3.645 0 40 FHAB COc1cc(C)c(S(=O)(=O)N2CCc3cc4ccccc4nc32)cc1C 15841818 XOHAEACEYFWVFH-UHFFFAOYSA-N 368.458 3.612 0 40 FHAB O=C(NC1=N[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccccc1)c1ccccc1 17074551 GZFWQNNKEHHSEK-QZTJIDSGSA-N 362.433 3.631 0 40 FHAB C[C@H]1Cc2cc(-c3csc(NC(=O)[C@@H](C)n4ccnc4)n3)ccc2O1 19498226 FDKCUVZOXFDLCT-NWDGAFQWSA-N 354.435 3.530 0 40 FHAB Cc1ccccc1NC(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1 35288955 RCABSUOXQHLKIJ-UHFFFAOYSA-N 355.413 3.560 0 40 FHAB C[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)s3)c2C(N)=O)C1 3191656 JQYHLTOPZJACOQ-ZETCQYMHSA-N 354.884 3.939 0 40 FHAB O=C(COC(=O)/C=C/c1ccc(OC(F)F)cc1)NC1CCCCCC1 4936089 IDNCQQYFBAFLHT-FMIVXFBMSA-N 367.392 3.683 0 40 FHAB C[C@@H](NCc1cccc(Br)c1)c1ccc(-n2cncn2)cc1 25364343 GNCZVNKFIINQMT-CYBMUJFWSA-N 357.255 3.881 0 40 FHAB O=C(Nc1cc2c3c(c1)CCN3C(=O)CC2)c1ccc(Br)cc1 5153408 MOBLFRMKJNIAHA-UHFFFAOYSA-N 371.234 3.537 0 40 FHAB CCC(CC)C(=O)Nc1cc(-c2cn3nc(OC)ccc3n2)ccc1OC 11693445 AYMFFWHDYKRMKC-UHFFFAOYSA-N 368.437 3.788 0 40 FHAB COc1cccc([C@H](c2sc3nc(C)nn3c2O)N2CCC[C@@H](C)C2)c1 23157821 YKZFUISDXBVZIP-MLGOLLRUSA-N 372.494 3.635 0 40 FHAB O=C(/C=C/c1ccccc1Cl)NCC1CCN([C@@H]2CCSC2)CC1 225569981 XXERZARCKDELAV-FUTAKVPZSA-N 364.942 3.687 0 40 FHAB COC(=O)c1sc2ccccc2c1NC(=O)c1cccc(OC)c1OC 5169416 SOIFGSBYEAQHFC-UHFFFAOYSA-N 371.414 3.957 0 40 FHAB O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCO[C@H](c2ccc(F)cc2)C1 31178680 XWHGZMCLMZPSED-SFHVURJKSA-N 369.371 3.569 0 40 FHAB C[C@H](c1cc2ccccc2o1)N(C)CC(=O)Nc1ccc2c(c1)OCO2 32754457 GFACORWCVPGRRL-CYBMUJFWSA-N 352.390 3.793 0 40 FHAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)N[C@H]1CCc2ccccc21 32843594 GOQPNVWSRONKIL-KRWDZBQOSA-N 357.837 3.848 0 40 FHAB C[C@H]1C(=O)N(CN(C2CCCC2)C2CC2)C(=O)N1c1ccc(Cl)cc1 32923203 JOYRTJKDGIHDSE-ZDUSSCGKSA-N 361.873 3.862 0 40 FHAB Cc1ccc(C(=O)N2N=C(C(F)(F)F)C[C@]2(O)c2ccc(F)cc2)cc1 663262 WOHCWFPAHUOBPM-KRWDZBQOSA-N 366.314 3.744 0 40 FHAB CN1CCc2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2C1 22698922 FSWVXJRKVOVUNE-UHFFFAOYSA-N 363.486 3.902 0 40 FHAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)n2ncnc2N1 703557 FKILCLHPKMSWSC-QGZVFWFLSA-N 365.824 3.859 0 40 FHAB Cc1cccc(NC(=O)Cc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)c1 55494348 GMXFOIPGFGFPDY-GFCCVEGCSA-N 367.474 3.599 0 40 FHAB CCOC(=O)c1sc(NC(=O)CSc2ccc(C)cc2)nc1C 4279901 KXUBPTLNPFBXJM-UHFFFAOYSA-N 350.465 3.667 0 40 FHAB Cc1cc(C)c(OCC(=O)N[C@@H](c2ccccc2)c2nccn2C)c(C)c1 12507410 PQXOKPMNIKFVGL-FQEVSTJZSA-N 363.461 3.630 0 40 FHAB CCc1cc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)sc1C 25211655 NDADZYUJQMSMPL-UHFFFAOYSA-N 374.481 3.793 0 40 FHAB CN(Cc1ccccc1N1CCOCC1)C(=O)Nc1ccc(Cl)cc1 12533746 WEOSVCHPKJUVJP-UHFFFAOYSA-N 359.857 3.841 0 40 FHAB CCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CCC 4547401 ZLUCGGKLXKJZRD-UHFFFAOYSA-N 352.891 3.627 0 40 FHAB O=C1C[C@H](c2ccc(OCc3cccc4ccccc34)cc2)n2ncnc2N1 6476732 RUFQKHDKTVIOGN-HXUWFJFHSA-N 370.412 3.942 0 40 FHAB COCCCNC(=O)c1cc(Cl)c(OCc2ccccc2)c(OC)c1 6627031 PSPZJLZGCCGOFK-UHFFFAOYSA-N 363.841 3.694 0 40 FHAB COC(=O)c1cc(OC(=O)c2oc3ccccc3c2C)cc(C(=O)OC)c1 6902532 NFNQYWAPCJYOJP-UHFFFAOYSA-N 368.341 3.534 0 40 FHAB Cc1ccc(F)cc1CN1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 108527790 JLCOAVYGYAWDTA-IBGZPJMESA-N 370.472 3.550 0 40 FHAB C[C@]1(C(=O)n2cnc3ccccc32)CC1(Br)Br 1812281 BOUQHJHJRWZUKK-LLVKDONJSA-N 358.033 3.573 0 40 FHAB O=C(NC1CC1)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1 12536260 JBKPJEAGWRCZRL-UHFFFAOYSA-N 366.442 3.533 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc2c(c1)OCCO2 20888597 PMJTZOBOXQMGQL-UHFFFAOYSA-N 363.417 3.572 0 40 FHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1 20460261 KOXNZHOWHBGVCW-JTDSTZFVSA-N 366.933 3.982 0 40 FHAB CCCN(C(=O)NCCC(=O)NC1CCCC1)[C@H]1CCc2ccccc21 58174634 ICSYREXZWUKFTN-IBGZPJMESA-N 357.498 3.544 0 40 FHAB COc1ccc(NC(=S)C2=C(C)NC(=O)N[C@@H]2c2ccccc2)cc1 100857955 KUWHFYQHJFYBIV-QGZVFWFLSA-N 353.447 3.763 0 40 FHAB CCCC[C@@H]1NC(CO)=C(Cl)N1Cc1ccc(Br)cc1 100040939 DYIJKOZDPIUEEU-CQSZACIVSA-N 359.695 3.771 0 40 FHAB C[C@H](Sc1n[nH]c(=O)n1CCc1ccccc1)c1ccc(F)c(F)c1 58369679 VQDDNYUDNHBOPG-LBPRGKRZSA-N 361.417 3.946 0 40 FHAB CSc1ncc(Br)c(C(=O)Nc2ccc(C)cc2C)n1 27741964 WKNHLVVRJRLGFO-UHFFFAOYSA-N 352.257 3.830 0 40 FHAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)Nc1ccc2ccccc2n1 45631440 QNOQKKDUMOOFLA-UHFFFAOYSA-N 367.459 3.856 0 40 FHAB O=C(c1cccc(CN2CCSCC2)c1)c1cc(F)c(F)c(F)c1 2515314 VWRBEALJMJOXMU-UHFFFAOYSA-N 351.393 3.884 0 40 FHAB c1ccc(Cn2nnnc2[C@H](c2cccs2)N2CCCCCC2)cc1 20098573 BRCSNNGUGSOQSM-SFHVURJKSA-N 353.495 3.748 0 40 FHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cccc(Cl)c1 2636294 LKOWSVVTHQWEMB-UHFFFAOYSA-N 365.138 3.813 0 40 FHAB COc1cc(C)c(N[C@H](C)C(=O)c2ccc(NC(C)=O)cc2)cc1OC 12606173 ZTRAUZOBDZPFHY-CYBMUJFWSA-N 356.422 3.654 0 40 FHAB CC[C@H](CO)Nc1nc(-n2nc(C)cc2C)nc2sc3c(c12)CCCC3 28286582 UJQMUHDNYPXODX-CYBMUJFWSA-N 371.510 3.555 0 40 FHAB CCOC(=O)c1sc2ncc(C(=O)c3cc(OC)ccc3O)cc2c1C 3305562 XIMUJQFYZOJLPB-UHFFFAOYSA-N 371.414 3.727 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1nc2ccccc2s1 3326632 CWXZRAZETMUQLU-UHFFFAOYSA-N 356.403 3.525 0 40 FHAB CC(C)Cn1c(SCCO)nc2scc(-c3cccs3)c2c1=O 12852258 HDOXZZRQBUKYDF-UHFFFAOYSA-N 366.533 3.927 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccnn1Cc1ccccc1 28291073 STFACMOUBINBSM-SFHVURJKSA-N 353.397 3.867 0 40 FHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1cccc(Cl)c1 12986073 WAHWMCYUIMFMTO-CQSZACIVSA-N 371.868 3.536 0 40 FHAB C[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc2c(c1)OCO2 6063813 KUAIEKCFRUHWAI-CSNVJCEJSA-N 371.433 3.502 0 40 FHAB Cc1c(Cl)cccc1NC(=O)Cn1cc(-c2ccccc2)[n+]2c1CCC2 13770411 IBYAECIBUQJYLL-UHFFFAOYSA-O 366.872 3.989 0 40 FHAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccc(C)cc1 20143795 MHXXOHYYVQYNNT-UHFFFAOYSA-N 367.401 3.773 0 40 FHAB CCN(CC)Cc1ccccc1CNC(=O)c1cc2ccccc2oc1=O 14086646 FHVMQPCRRHTARH-UHFFFAOYSA-N 364.445 3.565 0 40 FHAB Cc1ccc([C@H](CC(=O)NCCCN(C)C)[C@H]2CCOC(C)(C)C2)cc1 5348415 KFXGNULOTVUHLH-PMACEKPBSA-N 360.542 3.742 0 40 FHAB Cc1cc(C(=O)NCc2ccccc2CN2CCCC2)c(C)n1C1CC1 14237416 GYJQJXRYTQZIPJ-UHFFFAOYSA-N 351.494 3.966 0 40 FHAB CCOc1ccc(NC(=O)N2CCC[C@H]2C(C)(C)O)c(C(F)(F)F)c1 95454944 RSZXXMXWAGPTHY-AWEZNQCLSA-N 360.376 3.871 0 40 FHAB O=C(Nc1nc(-c2ccc(Br)o2)ns1)c1ccc(F)cc1 15859943 BXHZSTWQKRMSOC-UHFFFAOYSA-N 368.187 3.952 0 40 FHAB COc1ccc(NC(=O)c2cc(Cl)ccn2)cc1N1CCCCC1=O 83957197 OSUADDMKCJOTEG-UHFFFAOYSA-N 359.813 3.513 0 40 FHAB O=C1C[C@@H](c2cccs2)Cc2nc3[nH]n(-c4ccccc4)c(=O)c3cc21 18198315 FFOZJADQQMYTJN-LBPRGKRZSA-N 361.426 3.688 0 40 FHAB COC(=O)CCSc1nnc(-c2ccccc2)n1-c1ccc(OC)cc1 8778274 PLOMWXAFENDQKJ-UHFFFAOYSA-N 369.446 3.598 0 40 FHAB C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1cccc2nsnc12 19079726 SJYRFWGKAPLVLF-LLVKDONJSA-N 373.459 3.819 0 40 FHAB CCc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(OC)cc2)cc1 72238450 HODZGHIESCLHRX-LJQANCHMSA-N 352.434 3.501 0 40 FHAB O=C1CCc2cc(OC(=O)c3cc4ccccc4c(Cl)n3)ccc2N1 75553212 WGFHOEUIGOCDKC-UHFFFAOYSA-N 352.777 3.992 0 40 FHAB Cc1cc(C)c2nc(NC(=S)NC(=O)COc3ccccc3)sc2c1 408624849 COOSABHWAJPYOJ-UHFFFAOYSA-N 371.487 3.805 0 40 FHAB Cc1cccc(NC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)c1 26504057 LQGNMLUCVWFUFQ-RTBURBONSA-N 360.413 3.703 0 40 FHAB COc1cccc(C(=O)Nc2cnn(Cc3ccc(F)cc3Cl)c2)c1 28229967 AAKCDALHFHEBGJ-UHFFFAOYSA-N 359.788 3.985 0 40 FHAB Cc1ccc(-n2cc(C(=O)NCc3ccccc3C(F)(F)F)nn2)cc1 67261843 MEAYVDBBEXUPID-UHFFFAOYSA-N 360.339 3.525 0 40 FHAB O=C(NCCN1CCCCC1)c1cn(Cc2ccccc2)c2ccccc12 39160827 NRMODYXHMSYPCL-UHFFFAOYSA-N 361.489 3.905 0 40 FHAB O=C(Nc1cccc(F)c1)[C@@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 32103459 KABAEYZQENUYGH-INIZCTEOSA-N 350.353 3.861 0 40 FHAB CCc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 408707946 MTXLZJKUFDEWBA-IBGZPJMESA-N 350.462 3.535 0 40 FHAB CCn1nc(C)cc1NC(=O)CCc1c(C)nn(-c2ccccc2)c1C 32647495 TZEFMUVGFRQGRM-UHFFFAOYSA-N 351.454 3.585 0 40 FHAB CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(=O)Nc1nncs1 72403254 VQPQIMLQYRMIEF-LLVKDONJSA-N 372.277 3.995 0 40 FHAB COc1cc(-c2cc(-c3cccc(C)c3)nc(N)n2)cc(OC)c1OC 71978244 RXTMOLDPFWDVGT-UHFFFAOYSA-N 351.406 3.727 0 40 FHAB CC(C)CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 34617579 KKRHNJJJHIROFE-GOSISDBHSA-N 373.497 3.766 0 40 FHAB COc1ccccc1CCN(C)C(=O)NCC(C)(C)c1ccccc1F 78446880 ZCAJKNZXYYIZOJ-UHFFFAOYSA-N 358.457 3.996 0 40 FHAB Cc1ccc(C)c(NC(=O)C[C@H]2C(=O)N(C3CC3)c3nc4ccccc4n32)c1 39964143 MCGPUUFNCIDZEC-IBGZPJMESA-N 374.444 3.732 0 40 FHAB CCOc1cccc(CNC(=O)CCc2nc(-c3ccccc3C)no2)c1 44842160 BSWGCVIEGYPMSO-UHFFFAOYSA-N 365.433 3.693 0 40 FHAB Cc1noc([C@H]2CCCN(Cc3c(C(=O)O)sc4ccccc34)C2)n1 565106915 ZRQJOJFRHUYYAU-LBPRGKRZSA-N 357.435 3.671 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H](CNc2cccc(Br)n2)C1 40434975 LFCWXIGNSINUIR-LBPRGKRZSA-N 370.291 3.903 0 40 FHAB CN(c1cc(C(=O)Nc2cccc(Cl)c2)ccc1Cl)S(C)(=O)=O 225973293 PIWCAUJEWJSLNF-UHFFFAOYSA-N 373.261 3.642 0 40 FHAB O=C(NCCc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 42646023 NOZCRJQMCKYKQH-UHFFFAOYSA-N 371.651 3.944 0 40 FHAB CCO[C@](C)(C(=O)Nc1ccc(OCCN2CCCCC2)cc1)C1CC1 225723279 YNFOJRDNCHQYMO-NRFANRHFSA-N 360.498 3.695 0 40 FHAB CC(C)c1ccc(OCCOC[C@H](O)CN[C@@H](C)c2ccccc2)cc1 40373367 JNKGYBZKGHMWNG-GHTZIAJQSA-N 357.494 3.917 0 40 FHAB CCCOc1ccc(S(=O)(=O)n2cc(C)nc2CC)c2ccccc12 41095526 PRIYJLIDXVLKJW-UHFFFAOYSA-N 358.463 3.933 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C 223770305 TWABEMMGLHDIIT-MRXNPFEDSA-N 372.896 3.744 0 40 FHAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1 223133863 LBJPWXRWNJKZDW-FQEVSTJZSA-N 366.505 3.951 0 40 FHAB C[C@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccc2c(c1)OCCO2 222692547 MKEWJVIBOLSLMG-INIZCTEOSA-N 366.461 3.939 0 40 FHAB COCc1ccccc1NS(=O)(=O)c1cc(Br)ccc1C 40446609 KPBGOPDRMJGDII-UHFFFAOYSA-N 370.268 3.705 0 40 FHAB Cc1ccc(-c2nc3cc(N)ccc3o2)cc1I 226248233 UYQCPGXCFBEHKH-UHFFFAOYSA-N 350.159 3.990 0 40 FHAB COC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1Cl 223826052 SBFSEEDRUZLWJE-UHFFFAOYSA-N 360.218 3.581 0 40 FHAB COc1ccc(-c2nc(CCNC(=O)c3cc(F)cc(F)c3)co2)cc1 1584205781 ICPZAXIBBZFXOH-UHFFFAOYSA-N 358.344 3.601 0 40 FHAB Cc1ccc(CC(=O)NCc2nc(-c3cccc(Cl)c3)no2)c(C)c1 225670925 ZVWPXYXQVYRGLC-UHFFFAOYSA-N 355.825 3.866 0 40 FHAB Cc1ccc(CN[C@H]2CC3(CCN(CCO)CC3)c3ccccc32)s1 96241501 GFXBLAITXAFFRL-FQEVSTJZSA-N 356.535 3.617 0 40 FHAB Cc1ccc(-c2cc(C(=O)N3CCC[C@@]4(C)[C@@H]3CCCCN4C)[nH]n2)cc1 257227301 FOPNXKBARHHWQT-UNMCSNQZSA-N 366.509 3.864 0 40 FHAB CCn1cc(-c2nccnc2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1 257329937 XMCMKLAHGLFZAT-HNNXBMFYSA-N 371.485 3.550 0 40 FHAB CC[C@H](O)Cn1nc(-c2ccc(C(=O)O)cc2)cc1-c1ccccc1OC 257301993 SAXHGFLYXDUZQC-INIZCTEOSA-N 366.417 3.695 0 40 FHAB O=C(NC[C@H](c1ccco1)N1CCSCC1)c1cc2ccccc2o1 253395041 BNYLZHIZXBITLW-OAHLLOKOSA-N 356.447 3.546 0 40 FHAB O=C(CCc1nc(O)c2ccccc2n1)N1CCCC[C@@H]1CC1CCC1 620572093 JFWLXRNIIMUBLD-MRXNPFEDSA-N 353.466 3.839 0 40 FHAB CCO[C@H](C(=O)Nc1cc(Br)cc(Cl)c1O)C(C)C 626299704 TWEYZDVOFJHPDD-LBPRGKRZSA-N 350.640 3.808 0 40 FHAB CO[C@H]1CCC[C@H](C(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)C1 629620996 HNMMZBOHXOEMFG-AAEUAGOBSA-N 352.837 3.824 0 40 FHAB O=C(c1ccc(N2CCOCC2)cc1)N1CCCC[C@H](c2ccccc2)C1 390826926 CQAZDSLWSOZQOJ-NRFANRHFSA-N 364.489 3.933 0 40 FHAB CC1(C)CC(NC(=O)N2CCC[C@H]2Cc2cccc(F)c2)CC(C)(C)N1 56780771 JJXKMGOADLUITM-SFHVURJKSA-N 361.505 3.851 0 40 FHAB C[C@@H]1CCN(CC(=O)NCc2ccco2)c2cc(Cl)ccc2S1 75104885 LSJCEHHVOZGUPO-GFCCVEGCSA-N 350.871 3.940 0 40 FHAB Cc1ccc(C)c(NC(=O)[C@@H]2CSCN2C(=O)OCc2ccccc2)c1 5542481 TYOOKWOSGLGOBU-SFHVURJKSA-N 370.474 3.954 0 40 FHAB CC1=C(C(=O)Nc2ccc(C)c(C)c2)[C@@H](c2ccccc2F)NC(=O)N1 5753737 CYKLRAAJDKFGEN-GOSISDBHSA-N 353.397 3.709 0 40 FHAB COc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3O)n[nH]2)c(OC)c1 5790355 IDVJACXPLKSHJL-UHFFFAOYSA-N 367.405 3.669 0 40 FHAB COc1ccc(C2(NCc3cn(CCCO)c4ccccc34)CC2)cc1 12238659 NNVJOFAZAVZKKQ-UHFFFAOYSA-N 350.462 3.811 0 40 FHAB Cc1cccc(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)c1C 14170425 CVYTWYBGOUGWLJ-UHFFFAOYSA-N 355.419 3.786 0 40 FHAB C[C@@H](CCC(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1)N1CCCC1 19455564 PKNNMMVNPNQCHV-ZWKOTPCHSA-N 362.489 3.708 0 40 FHAB CN1CCCC[C@@H]1c1ncc2c(n1)CCN(CCCc1ccccc1)C2 19588984 MZXITCUZGLDICB-OAQYLSRUSA-N 350.510 3.624 0 40 FHAB CCOc1ccc(C(=O)NCC2CCN(C3CCCC3)CC2)cc1OCC 23127967 IOXXJCISOIMLIE-UHFFFAOYSA-N 374.525 3.868 0 40 FHAB O=C(Nc1cc(C2CC2)ccn1)N[C@H](c1ccccc1)C1(CO)CCC1 1672006953 PIVLEWCSMJSQGT-LJQANCHMSA-N 351.450 3.984 0 40 FHAB COc1ccccc1CN(C)CC(=O)N[C@H](C)c1cc2ccccc2o1 21579948 MIZKVLJPWGANGX-OAHLLOKOSA-N 352.434 3.751 0 40 FHAB O=S(=O)(Nc1nc2ccccc2s1)c1ccccc1Br 37385847 DWKZEAXOUQWYMB-UHFFFAOYSA-N 369.265 3.860 0 40 FHAB CO[C@H](CNC(=O)c1cc2ccccc2oc1=O)c1cc2ccccc2o1 240002203 POTIGYBAXHEWTR-LJQANCHMSA-N 363.369 3.657 0 40 FHAB O=C(c1cccc(OC(F)(F)F)c1)N1[C@H]2CC[C@H]1CC(n1ccnc1)C2 1565519934 WHPKTSXLBYCRBQ-KBPBESRZSA-N 365.355 3.790 0 40 FHAB COc1ccccc1-n1nnc(C(=O)Nc2cc(Cl)ccc2C)c1C 2715832 CRSGTPISQQBDJV-UHFFFAOYSA-N 356.813 3.798 0 40 FHAB COc1ccc(CC(=O)N2CCN=C2SCc2ccc(C)cc2)cc1 4120401 PWLWRBULWWADAW-UHFFFAOYSA-N 354.475 3.678 0 40 FHAB Cc1cccc2sc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)nc12 4583467 VTNYOFTVJNFIDX-ZHACJKMWSA-N 363.486 3.967 0 40 FHAB COc1ccccc1NC(=O)Cn1c(-c2nnc(C)o2)cc2ccccc21 9573814 RQFFOMOOJGRLKU-UHFFFAOYSA-N 362.389 3.647 0 40 FHAB CC(C)CNC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 9625818 KSNFNIFNAHSDBU-UHFFFAOYSA-N 366.874 3.755 0 40 FHAB COc1ccc2nc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)cn2n1 11693475 QRLSLGNBBGXXQS-UHFFFAOYSA-N 362.364 3.796 0 40 FHAB Cc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(c2ccc(C)c(C)c2)C3)cc1 15081271 OUFOYVUNQNFMAW-HXUWFJFHSA-N 361.445 3.609 0 40 FHAB Cc1ccc(-n2c(C)nc3ccc(NC(=O)c4cccnc4)cc3c2=O)cc1 23143789 BCJGZZVKYPNVQK-UHFFFAOYSA-N 370.412 3.650 0 40 FHAB CC(=O)N[C@H]1C(=O)N(Cc2ccc(OC(C)C)cc2)c2ccc(Cl)cc21 100485726 LLVXFVPXWZZBFZ-LJQANCHMSA-N 372.852 3.851 0 40 FHAB COCCN(Cc1ccsc1)S(=O)(=O)c1cccc2ccccc12 44446980 CLRSMLLRIRUEIH-UHFFFAOYSA-N 361.488 3.739 0 40 FHAB COc1ccc(-c2noc(-c3ccc(=O)n(Cc4ccccc4)c3)n2)cc1 49007374 ZYGLZYGTJRJJQC-UHFFFAOYSA-N 359.385 3.622 0 40 FHAB CN(C)c1cccc(C(=O)NC[C@@](O)(c2ccsc2)c2cccs2)c1 240002208 POVWNQWEWYCJDT-LJQANCHMSA-N 372.515 3.542 0 40 FHAB CCN1CCc2nc(NC(=O)c3cccc(Br)c3)sc2C1 15880159 KWDTYDFAAJCRSF-UHFFFAOYSA-N 366.284 3.536 0 40 FHAB COC(=O)c1cc2ccccc2cc1OC(=O)/C=C/c1cncc(F)c1 105364692 DTBYBEWVAVAATR-VOTSOKGWSA-N 351.333 3.779 0 40 FHAB COCCOc1ccc(CNCc2c[nH]nc2-c2ccc(F)cc2)cc1 40091417 HNRCIVKTOYYTMT-UHFFFAOYSA-N 355.413 3.531 0 40 FHAB COC(=O)c1cc(NCc2nc(-c3ccc(OC)cc3)no2)ccc1Cl 40061547 NORJIICBZBDMAH-UHFFFAOYSA-N 373.796 3.797 0 40 FHAB O=C(Nc1cccc2cnccc12)c1nc(N2CCCC2)ncc1Cl 40140119 PBHDERUIAJMBOR-UHFFFAOYSA-N 353.813 3.531 0 40 FHAB O=C(NCCSC1CCCC1)Nc1cccc(C(=O)N2CCCC2)c1 40104784 JECIDUZAPIFWCS-UHFFFAOYSA-N 361.511 3.720 0 40 FHAB C[C@@H](CNC(=O)Nc1cccc(Cn2cccn2)c1)N(C)c1ccccc1 40105559 FOPPUQNDVSCXDK-KRWDZBQOSA-N 363.465 3.578 0 40 FHAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cc(F)cc(F)c2)cc1O 40266380 AHWZRNXVSSTBOQ-CQSZACIVSA-N 371.343 3.988 0 40 FHAB O=C(Cn1c(/C=C/c2ccccc2)nc2ccccc21)NC[C@@H]1CCCO1 40300757 ZKUATUMRCXKYAJ-HHNLSAEISA-N 361.445 3.502 0 40 FHAB CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc(Cl)cc1 100644040 KXFGEZHTFHLIFV-KRWDZBQOSA-N 372.877 3.833 0 40 FHAB CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCN(C)C3 20842185 GGEIBDPHTROCTM-UHFFFAOYSA-N 371.531 3.856 0 40 FHAB Cc1ccc(NC(=O)OC(C)(C)C)c2c1N(C(=O)[C@H]1CCCO1)CCC2 102139973 BDJFEVNMUHOFNL-MRXNPFEDSA-N 360.454 3.800 0 40 FHAB COc1ccc(CCNCc2cc(Br)c3c(c2)OCO3)cc1 32735841 WIEYVVYUJFBPKU-UHFFFAOYSA-N 364.239 3.519 0 40 FHAB C[C@@H](Sc1ncn(-c2ccccc2)n1)C(=O)NCCC1=CCCCC1 32876429 ZPPURVAEGMBDKI-OAHLLOKOSA-N 356.495 3.755 0 40 FHAB CN1N=C(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)CCC1=O 32836728 SOIPNNDGJNODMK-UHFFFAOYSA-N 364.430 3.510 0 40 FHAB O=C(CCSc1nnc(-c2ccncc2)o1)Nc1ccccc1Cl 645135 VLYBYVLROYDTGB-UHFFFAOYSA-N 360.826 3.906 0 40 FHAB O=C(CCN1CCN(Cc2ccco2)CC1)Nc1cccc2ccccc12 22931232 FFPPBIONPXHPKW-UHFFFAOYSA-N 363.461 3.579 0 40 FHAB O=C(OCCCn1c(=O)[nH]c2ccccc21)c1cc2cc(Cl)ccc2o1 23819639 UAFDXTCNEZAOFV-UHFFFAOYSA-N 370.792 3.976 0 40 FHAB Cc1cc(C)cc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c1 794855 NNNLCGVCYGJAEK-UHFFFAOYSA-N 366.442 3.604 0 40 FHAB CC(=O)Nc1cccc2c1CCN(C(=S)N[C@@H](C)c1ccccc1)C2 54991164 DSMNIMXHBBOKTH-AWEZNQCLSA-N 353.491 3.639 0 40 FHAB C[C@@H]1CCN(C(=O)COc2nnc(-c3ccccc3)o2)[C@@H]2CCCC[C@H]12 77243144 YMWWSMQBSOEULS-DJIMGWMZSA-N 355.438 3.543 0 40 FHAB COc1cc(C=O)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 3246560 YRAFYFGIKPQTEB-UHFFFAOYSA-N 361.202 3.582 0 40 FHAB CCc1cc2cc3c(cc2nc1SCC(=O)N1CCCCC1)OCO3 4849524 POTARIZIEVBQSX-UHFFFAOYSA-N 358.463 3.631 0 40 FHAB CCCCCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 6597301 KOQIRZZMOVXARC-HXUWFJFHSA-N 372.490 3.974 0 40 FHAB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccccc2Cl)C1=O 6650477 FXIKYCGNHTYEPC-UKTHLTGXSA-N 353.827 3.720 0 40 FHAB Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccccc2F)CC1 7724550 HKMSLNNKDHCUGW-UHFFFAOYSA-N 362.832 3.515 0 40 FHAB CCn1c(=O)n(CC)c2cc(NC(=O)CSc3ccc(F)cc3)ccc21 8203218 ARJUGKORHHWKRJ-UHFFFAOYSA-N 373.453 3.713 0 40 FHAB COc1cc(Cl)ccc1S(=O)(=O)Oc1cccc2ccc(C)nc12 1754935 UCBOQUPAXMYOPQ-UHFFFAOYSA-N 363.822 3.973 0 40 FHAB O=c1nc(/C(Cl)=C/c2cnn(Cc3ccccc3)c2)[nH]c2ccccc12 27121835 RUCDAXYIWZFHRD-YVLHZVERSA-N 362.820 3.905 0 40 FHAB Cc1ncsc1C(=O)N1CCCN([C@@H](C)c2ccc(F)cc2F)CC1 58167767 JLDXMCBRXKLPRK-ZDUSSCGKSA-N 365.449 3.639 0 40 FHAB O=C(CCC(=O)c1ccccc1)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 58209026 ZRVFCTCTHWKSHQ-HNNXBMFYSA-N 372.415 3.570 0 40 FHAB Cc1c(-c2ccncc2)n[nH]c1NC(=O)COCc1ccccc1Cl 58228961 JUOYZOKRGUDPDW-UHFFFAOYSA-N 356.813 3.589 0 40 FHAB CC[C@@H](C)N(C)CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 58308656 CKIGWSBGBIPDQY-MRXNPFEDSA-N 353.466 3.916 0 40 FHAB Cn1ccnc1Sc1ccc(NC(=O)COc2ccccc2F)cc1 10423979 LKEJNAZUPZWXKI-UHFFFAOYSA-N 357.410 3.728 0 40 FHAB COC(=O)C1(NC(=O)c2csc(-c3ccc(C)o3)n2)CCC(C)CC1 58418298 BGXSCQSDYBKBQK-UHFFFAOYSA-N 362.451 3.563 0 40 FHAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(F)cc1Br)OC2=O 100260895 NWYTVZOHIKJKTI-HZPDHXFCSA-N 370.218 3.649 0 40 FHAB C[C@H](Sc1nc(C2CC2)nc2ccccc12)C(=O)NC(=O)NC(C)(C)C 10949647 FXFFBGDDLCEGPO-NSHDSACASA-N 372.494 3.612 0 40 FHAB C[C@H](NC(=O)CCc1nc(-c2ccsc2)no1)c1ccc(F)cc1F 21598842 SKMDXOUPHVKROX-JTQLQIEISA-N 363.389 3.886 0 40 FHAB COc1ccccc1CCNC(=O)N[C@@H](c1ccccc1)c1ccccn1 29324341 RUTMUMIRCZRAGU-NRFANRHFSA-N 361.445 3.722 0 40 FHAB Cc1ccc(Oc2ccccc2NC(=O)CSc2nc(C)n[nH]2)cc1 11709275 NZIBQZZCRFSSQE-UHFFFAOYSA-N 354.435 3.945 0 40 FHAB COc1ccc(NC(=O)CNc2ccc(Br)cc2F)cc1 11724689 QLGCVNVVLKAOMK-UHFFFAOYSA-N 353.191 3.647 0 40 FHAB O=C(c1ccc(Cl)c(Cl)c1)n1c(S)nc2ccccc2c1=O 103650483 OEPIULRYPFPLDL-UHFFFAOYSA-N 351.214 3.681 0 40 FHAB Cc1cccc(Nc2nnc(SCc3ccccc3)n(C)c2=O)c1C 28527414 ODOSPFLTVVUIAO-UHFFFAOYSA-N 352.463 3.828 0 40 FHAB COc1ccc(F)cc1COC(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C 12792619 TWNUOTNSKPTDKP-IBGZPJMESA-N 373.424 3.641 0 40 FHAB CCn1c(SCCCn2ccnc2)nc2sc3c(c2c1=O)CCCC3 95468093 JWOAONAIHGNCCD-UHFFFAOYSA-N 374.535 3.736 0 40 FHAB CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CN1CCCC[C@@H]1C 12858590 MQJSDMUGXYWOGF-MSOLQXFVSA-N 373.541 3.743 0 40 FHAB C[C@@H]1CCc2sc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2C1 3407641 HMSYNIGLQVBZDE-CQSZACIVSA-N 356.491 3.962 0 40 FHAB Cc1ccc(S(=O)(=O)/N=C(\O)c2nc(-c3cccs3)oc2C)cc1 48422733 AKFXXVXSJVMLLD-UHFFFAOYSA-N 362.432 3.713 0 40 FHAB O=C(NCc1ccccc1)C1CCN(Cc2cccc3cccnc23)CC1 12924207 KPCLATRVPMJMSW-UHFFFAOYSA-N 359.473 3.763 0 40 FHAB O=C1C[C@H](c2cccs2)Cc2c1cnc1[nH]n(-c3ccccc3)c(=O)c21 9134535 TUQGCQTVQBENRT-GFCCVEGCSA-N 361.426 3.688 0 40 FHAB O=c1oc2cc(O)ccc2cc1-c1nnc(NCc2ccccc2)s1 3911138 QENGXVPZUFFJGY-UHFFFAOYSA-N 351.387 3.629 0 40 FHAB CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4061210 LIQRRNOQIKMVTQ-BZDFKLGJSA-N 360.494 3.811 0 40 FHAB biogenic Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)cc1)SCC(O)=N2 49545465 FKQLVOOJHOEIQS-QGZVFWFLSA-N 352.419 3.706 0 40 FHAB CCCCc1ccc(NC(=O)c2cnc3sc(C)c(C)n3c2=O)cc1 20767649 HUEFKESENCABEX-UHFFFAOYSA-N 355.463 3.968 0 40 FHAB O=C1OCCN1CCCSc1nn(-c2ccccc2)c(=S)s1 65477052 KFVGFFSXUNRISY-UHFFFAOYSA-N 353.494 3.598 0 40 FHAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N1CCN(c2ccccc2)CC1 113970537 KQHAOCXJJMCGSH-OAQYLSRUSA-N 352.478 3.810 0 40 FHAB Cc1ccnc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)c1 9322884 YOWMPFCCWKRMJF-UHFFFAOYSA-N 359.838 3.627 0 40 FHAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1 9356120 FXJZGVZIYNSORO-UHFFFAOYSA-N 360.479 3.848 0 40 FHAB CC(=O)c1c(C)[nH]c(-c2csc(Cc3nnc4n3CCCCC4)n2)c1C 6551963 VAOPYHBOQREDOB-UHFFFAOYSA-N 369.494 3.866 0 40 FHAB CCC(=O)Nc1nnc(SCc2cccc(Br)c2)s1 4681126 JQTWDCOMICFPCX-UHFFFAOYSA-N 358.286 3.941 0 40 FHAB COc1ccccc1-c1nc2c3c(C)c(C)n(-c4ccccn4)c3ncn2n1 6719093 AKBNCUVVPOAIKZ-UHFFFAOYSA-N 370.416 3.756 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)/C=C/c2cnn(-c3ccccc3)c2)c1 7961385 HAORTTLATCJBDY-PKNBQFBNSA-N 361.401 3.619 0 40 FHAB Cc1ccc(S(=O)(=O)CCC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1 8033919 FXROQWYLXSMFNS-AWEZNQCLSA-N 365.882 3.690 0 40 FHAB CCC(=O)c1ccc(OC[C@H](O)CN[C@H]2CCSc3ccccc32)cc1 8328165 JCBYCIOFXHPMEI-APWZRJJASA-N 371.502 3.846 0 40 FHAB COc1ccc(Br)cc1C1N2CC3(C)CN1CC(C)(C2)C3 19320158 VQMIVECLZXAWBG-UHFFFAOYSA-N 351.288 3.504 0 40 FHAB biogenic Cc1cc(O)nc(S[C@H](C(=O)NCc2ccccc2)c2ccccc2)n1 9094761 DBNMVWDRHIDWMN-SFHVURJKSA-N 365.458 3.640 0 40 FHAB COc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1O 409007262 OLMHOHZOTFNSRC-ATVHPVEESA-N 355.415 3.680 0 40 FHAB Cc1ccc(C(=O)Nn2c(CCC(=O)O)ccc2-c2cccs2)cc1 408970444 HYSUSHIZAUHNHE-UHFFFAOYSA-N 354.431 3.926 0 40 FHAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2)N(C)C(=O)N1C 1044183 JNRAVYLVNPXRLZ-LJQANCHMSA-N 350.418 3.742 0 40 FHAB biogenic O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38849327 UYMXBJSSZAKPDR-OAHLLOKOSA-N 372.852 3.919 0 40 FHAB CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2ccccc2Br)C1 513758690 BKFPXYDKXONWSF-CQSZACIVSA-N 353.304 3.576 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1cccc(OC(C)C)c1 30753901 WVAXWIUXRPMJCZ-HXUWFJFHSA-N 357.450 3.956 0 40 FHAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](C)COc1ccc(OC)cc1 30865047 HGRLEDOEBAQMLZ-QFBILLFUSA-N 357.450 3.745 0 40 FHAB Cc1ccc(OCC(=O)NCC2(c3ccccc3)CCOCC2)c(C)c1 73955739 DNLRYIRTWJYVKM-UHFFFAOYSA-N 353.462 3.547 0 40 FHAB C[C@@H](Cc1ccccc1Cl)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 560676033 AZKBUNIHMRNNTB-HNAYVOBHSA-N 372.896 3.724 0 40 FHAB O=C1C[C@@H](Nc2cccc(F)c2)C(=O)N1c1cccc(Cl)c1Cl 36635862 OKGUJVYJXCJPGR-GFCCVEGCSA-N 353.180 3.877 0 40 FHAB CCc1ccc(O[C@@H](CC)C(=O)NCc2nc(-c3ccccc3)no2)cc1 78582262 OFODDLPUJDJGHH-SFHVURJKSA-N 365.433 3.773 0 40 FHAB CCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 48369037 RIPIZBDVRUPGNJ-UHFFFAOYSA-N 372.368 3.719 0 40 FHAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)S1 222592201 NITPBPHDNPWEKE-KYNGSXCRSA-N 361.474 3.857 0 40 FHAB CSc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1NC(C)=O 223797734 NETYNGXEPIHVRP-UHFFFAOYSA-N 364.492 3.785 0 40 FHAB O=S(=O)(Cc1ccccc1Cl)N(CCc1cccs1)C1CC1 75154820 JKRVPIVPDYAQIW-UHFFFAOYSA-N 355.912 3.938 0 40 FHAB C[C@@H](NC(=O)CSCc1ccccc1F)c1ccc2c(c1)OCCO2 42853356 HAYRRTMPXNYQQM-CYBMUJFWSA-N 361.438 3.708 0 40 FHAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 222701403 WMAVFRAJWWYSKB-JKSUJKDBSA-N 355.434 3.719 0 40 FHAB COc1ccc(CSc2nnc(C)s2)c(Br)c1OC 48628317 AZLBOQIUNURRLO-UHFFFAOYSA-N 361.286 3.919 0 40 FHAB O=C(Nc1ccnn1Cc1cccc(Br)c1)[C@@H]1CC=CCC1 44532432 XJIUBSORHXMLRZ-CQSZACIVSA-N 360.255 3.989 0 40 FHAB CCOC(=O)c1ccc(C)c(N(CC)S(=O)(=O)c2ccc(F)cc2)c1 224923142 FPMBBRQVLOEGKY-UHFFFAOYSA-N 365.426 3.526 0 40 FHAB COc1ccc(NC(=S)NCCCN2CCC(C)CC2)cc1Cl 225435857 NOIWKFAOCGRYTQ-UHFFFAOYSA-N 355.935 3.757 0 40 FHAB O=C1N(CC2CC2)c2ccccc2[C@]12CCN(Cc1ccc(F)cc1)C2 96100329 CRFHLKMZOFBSOI-JOCHJYFZSA-N 350.437 3.726 0 40 FHAB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccccc3)C2=O)c1 96583552 LZZXSUCAKLFYCP-GZTJUZNOSA-N 366.442 3.978 0 40 FHAB CC(C)(C(=O)N[C@H]1CCC(=O)NC12CCC2)c1ccc(Cl)c(Cl)c1 585080384 FFVBVGJELOZILI-AWEZNQCLSA-N 369.292 3.589 0 40 FHAB OC1(c2cccc(Cl)c2)CCC(N[C@H]2CCO[C@@H]2c2cccnc2)CC1 585085785 FHMUWPUPKVOTIX-RKDVLTNBSA-N 372.896 3.985 0 40 FHAB CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2)CC1 257251533 JRDPLIJOZOLNLR-TXTKFYIRSA-N 365.521 3.850 0 40 FHAB C[C@H](O)c1onc(-c2ccccc2)c1C(=O)NCc1cc(F)cc(F)c1 253394171 APESZIFYLMWAOQ-NSHDSACASA-N 358.344 3.603 0 40 FHAB biogenic,in-vitro COCCN(C)C(=O)c1ccc2c(c1O)[C@@H]1C[C@H](C)CC[C@H]1C(C)(C)O2 257227802 FQYLRCRKDOLMGX-FVQBIDKESA-N 361.482 3.801 0 40 FHAB COc1c(C)cc(C(=O)[C@@H](Br)CBr)cc1C 382710146 XMGMQMPPQRYZRP-JTQLQIEISA-N 350.050 3.653 0 40 FHAB CN(C)CCC1CCN(C(=O)c2ccnc(Oc3ccccc3)c2)CC1 603300565 KQIQRUKSHVKGNE-UHFFFAOYSA-N 353.466 3.678 0 40 FHAB O=C(O)c1ccc(-c2nc(CN3CCO[C@@H]4CCCC[C@H]43)cs2)cc1 652396966 HDKUORNMDVUZSM-IAGOWNOFSA-N 358.463 3.652 0 40 FHAB COc1cccc(-c2nc(N3CC[C@@H](O)C(F)(F)C3)c3ccccc3n2)c1 664262606 ZROUNHDEZLCYOQ-QGZVFWFLSA-N 371.387 3.512 0 40 FHAB Cc1ccc(C(=O)N(C)CCn2cnnc2)c(Sc2ccccc2)c1 1176835434 DMGOEQWYHOSZDA-UHFFFAOYSA-N 352.463 3.510 0 40 FHAB O=C(Cc1c(F)cccc1Cl)NC1(c2cccs2)CCOCC1 390827282 GAYLZFLPWHXCEC-UHFFFAOYSA-N 353.846 3.905 0 40 FHAB CC[C@@H](NC(=O)[C@@H](C)n1ccc(C(F)(F)F)n1)c1cc(F)ccc1OC 1535387405 OBXGKDKHTVKFML-ZWNOBZJWSA-N 373.350 3.878 0 40 FHAB O=C(C1CCCCC1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 585397312 OGSNTDPEJKXMSI-QGZVFWFLSA-N 369.914 3.609 0 40 FHAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)C3CCCCC3)C2)on1 13225951 VXBKDGWMCVZQPW-CQSZACIVSA-N 360.483 3.788 0 40 FHAB CC1(C)C[C@@]2(C[C@H](c3ccccc3)c3ccc(O)cc3O2)NC(=S)N1 13571050 REZKDIKSEAMYQF-UZLBHIALSA-N 354.475 3.649 0 40 FHAB Cc1cccc(C(=O)Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c1 14110672 QRWALKKNFITDOH-UHFFFAOYSA-N 372.471 3.774 0 40 FHAB COc1ccc(CNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1OC 15335177 VKDKPNWIPGAHPL-OAHLLOKOSA-N 365.429 3.941 0 40 FHAB CCn1c(CNC(=O)c2c(C)nc3ccc(Cl)cn23)nc2ccccc21 19524356 PCHFFPWYVCCXOS-UHFFFAOYSA-N 367.840 3.596 0 40 FHAB CCn1cc(C[C@H](C)NC(=O)Cn2ccnc2C(C)C)c2ccccc21 19524799 SJCQSHVNCJMSEJ-INIZCTEOSA-N 352.482 3.729 0 40 FHAB O=C(Nc1cc(Cl)ccc1Cl)c1cnc(-c2ccccc2)[nH]c1=O 19937233 AWENGYOLUSJYPO-UHFFFAOYSA-N 360.200 3.996 0 40 FHAB CCC(=O)N(CCCOC)c1nc(-c2cc(OC)ccc2OC)cs1 4186935 FZUHSTZXUIZVPK-UHFFFAOYSA-N 364.467 3.607 0 40 FHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccco3)C2=O)c(C)c1 8369071 OXELLFRQVCFGPJ-OQLLNIDSSA-N 356.403 3.571 0 40 FHAB O=C(COc1ccc2ccccc2c1)Nc1ccccc1N1CCOCC1 3399172 CBELUUSJNORSOJ-UHFFFAOYSA-N 362.429 3.694 0 40 FHAB Cc1cccc(NC(=O)[C@H](C)Sc2nnnn2-c2ccc(C)cc2C)c1 5414735 QCRLIPNRMKWHII-HNNXBMFYSA-N 367.478 3.707 0 40 FHAB O=C(COc1ccccc1C(=O)NCc1ccccc1)Nc1ccccc1 6462580 YPFJRJDVRGNFFB-UHFFFAOYSA-N 360.413 3.634 0 40 FHAB C[C@@H](Sc1ccccc1)C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1 7187232 HPIUBJQUJKPBPP-KDOFPFPSSA-N 355.459 3.730 0 40 FHAB CC(C)(C)c1ccc(O)c(NC(=O)Cn2cccc(C(F)(F)F)c2=O)c1 25604432 HGFJEDSRPLDEIB-UHFFFAOYSA-N 368.355 3.509 0 40 FHAB CC1CCN([C@@H](CNC[C@H](O)COc2ccccc2)c2cccs2)CC1 22030061 XVMDYZMIUIBHTN-ICSRJNTNSA-N 374.550 3.551 0 40 FHAB COc1ccc(-c2nc3c(c(=O)[nH]2)Cc2cc(Cl)ccc2O3)c(OC)c1 4317857 JUTKZQCQOGWXOK-UHFFFAOYSA-N 370.792 3.804 0 40 FHAB CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC)c(OC)c1)NCC2 20529154 JDGBKYFUXSFRMX-OAQYLSRUSA-N 357.450 3.736 0 40 FHAB biogenic CCc1nc2ccc(C(=O)N3CCC[C@H](c4cnn(C)c4)C3)cc2s1 1775965439 QYKHEXWITJWFKZ-AWEZNQCLSA-N 354.479 3.612 0 40 FHAB Cc1cc([C@@H](C)NC(=O)[C@H](C)NC(=O)/C=C/c2ccccc2)c(C)s1 40080894 OIKCEJDVZGFSIX-UNNWNWIUSA-N 356.491 3.760 0 40 FHAB O=c1cc(CSCc2cc(-c3ccccc3)no2)nc2sccn12 30524221 SRFLWIBMLDFODP-UHFFFAOYSA-N 355.444 3.844 0 40 FHAB C[C@@H]1CN(c2ccc(NC(=O)NCCC3=CCCCC3)cn2)C[C@@H](C)O1 40121083 ONAABSGUUNYGBX-HZPDHXFCSA-N 358.486 3.707 0 40 FHAB O=C(NCc1ccc(Cl)cc1)c1nc(-c2c[nH]c3ccccc23)no1 20721331 PLUBKELPGPUHFR-UHFFFAOYSA-N 352.781 3.801 0 40 FHAB CN(C)c1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1 32772753 QUXCUVAIWOFADN-GOSISDBHSA-N 368.868 3.659 0 40 FHAB CCCN(CC(=O)c1c[nH]c2ccccc12)Cc1nnc(-c2ccco2)o1 52660994 PSLABYWAHBDSNX-UHFFFAOYSA-N 364.405 3.906 0 40 FHAB O=C(NC1CCC(C(F)(F)F)CC1)c1ccc(Cn2ccnc2)cc1 32913656 GTXPDADJYXBADW-UHFFFAOYSA-N 351.372 3.782 0 40 FHAB C[S@@](=O)Cc1cccc(C(=O)NCc2nc(-c3ccccc3)cs2)c1 52820751 YNNBKRXUDCACLC-VWLOTQADSA-N 370.499 3.619 0 40 FHAB Cc1sc2ncnc(N3CCC(C(=O)Nc4nccs4)CC3)c2c1C 22391463 WTJLPDAMVUXARM-UHFFFAOYSA-N 373.507 3.620 0 40 FHAB CCc1ccc(NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1 728075 DCHCMQCVSQFCBA-GOSISDBHSA-N 350.418 3.508 0 40 FHAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)cc1 783995 LAUUGTPSTTVNQK-UHFFFAOYSA-N 358.388 3.764 0 40 FHAB O=C(c1cccs1)c1conc1C(=O)c1ccc(Br)cc1 987921 FURNELBMEHJDTK-UHFFFAOYSA-N 362.204 3.961 0 40 FHAB CSCC[C@H](NC(=O)CCc1cccnc1)c1nc2ccccc2[nH]1 12541069 JZSYOKGRQNTOHJ-KRWDZBQOSA-N 354.479 3.501 0 40 FHAB Cc1ccc(CC(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)cc1 12533989 YEVLDUDAOJFOBH-UHFFFAOYSA-N 357.885 3.581 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1 6522452 PFXOVTOAILPSGU-CZUORRHYSA-N 365.857 3.541 0 40 FHAB CCc1nc(CC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cs1 56098013 JMJHGWMKPYBNEY-UHFFFAOYSA-N 371.506 3.903 0 40 FHAB CN(Cc1ccc(C(N)=O)cc1)C(=O)c1ccc(-c2ccccc2F)s1 43808090 OESBXRFVSZQXCQ-UHFFFAOYSA-N 368.433 3.925 0 40 FHAB COCCNc1nnc(Sc2ncc(C(F)(F)F)cc2Cl)s1 8855913 LZJQWITZXNFJHG-UHFFFAOYSA-N 370.809 3.815 0 40 FHAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCC[C@@H]1C1CCCCC1 58030016 ILWWEQBCOHBUGK-ZTLYHTANSA-N 372.553 3.890 0 40 FHAB Cc1ccc(C(=O)Nc2cc(C3CC3)n[nH]2)cc1NC(=O)c1ccco1 58172574 OWJUZJQJCRSTPQ-UHFFFAOYSA-N 350.378 3.693 0 40 FHAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccccc3-c3cccs3)cc2o1 12508365 DWTXXJWMRRMKGS-UHFFFAOYSA-N 372.427 3.650 0 40 FHAB COc1ccc(C(=O)Nc2ccc(Sc3nccn3C)cc2)cc1OC 10423888 LZGPIWMHHWULBA-UHFFFAOYSA-N 369.446 3.841 0 40 FHAB CCCc1c(C(=O)Nc2cccc(-n3cccn3)c2)[nH]c(C)c1C(=O)OC 58406692 RFVZMDDFWUWVKA-UHFFFAOYSA-N 366.421 3.500 0 40 FHAB COc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2Cl)cc1OC 20457721 CQMPSEHPWBUWBG-GFCCVEGCSA-N 369.870 3.538 0 40 FHAB CCn1c(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)nc2ccccc21 10652073 LZHRRJFAJKYKGN-ZDUSSCGKSA-N 355.825 3.899 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)CSCc1nc(-c2cccs2)no1 36398620 YVZOFAFNWLIFJW-RYUDHWBXSA-N 351.497 3.726 0 40 FHAB Cc1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2Cl)cc1 11025037 MFXKBBAOJYKQFO-UHFFFAOYSA-N 368.216 3.863 0 40 FHAB O=C(OCc1ncn(-c2ccccc2)n1)c1ccc(OC(F)(F)F)cc1 95457957 STXXFLHHDFENKO-UHFFFAOYSA-N 363.295 3.523 0 40 FHAB C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1nnc2n1CCCCC2 29252632 WSNBIDOEQHIPBC-LLVKDONJSA-N 352.360 3.514 0 40 FHAB O=C(NCc1cnn(Cc2ccccc2)c1)[C@@H]1CCC[C@H](C(F)(F)F)C1 53339389 UZQAZEZUSFCKJY-SJORKVTESA-N 365.399 3.916 0 40 FHAB CC(C)c1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2C)c1 29842191 QJGBYUQSAYZXKE-UHFFFAOYSA-N 367.474 3.788 0 40 FHAB C/C=C/c1ccc(OCC(=O)OCC(=O)c2ccc(F)cc2)c(OC)c1 12566891 RGKFCUQFHKVAHH-ONEGZZNKSA-N 358.365 3.672 0 40 FHAB CCCNC(=S)NCc1cn(-c2ccccc2)nc1-c1ccccc1 2794322 JFGHQTTUAXBCSO-UHFFFAOYSA-N 350.491 3.913 0 40 FHAB COCCCNC(=O)C12C[C@H]3C[C@H](C1)CC(c1ccc(OC)cc1)(C3)C2 103178230 XVFFNXVYGJWFKI-UOBYYGQQSA-N 357.494 3.686 0 40 FHAB CCOc1ccccc1NC(=O)COC(=O)Cc1cccc2ccccc12 3216978 CFRZAQOXMFRUJH-UHFFFAOYSA-N 363.413 3.963 0 40 FHAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1cccc(C)c1 20143865 NCYKHTYPKRNRME-UHFFFAOYSA-N 367.401 3.773 0 40 FHAB C[C@@H](OC(=O)[C@@H]1CCCc2cn[nH]c21)C(=O)Nc1ccc2ccccc2c1 95443989 FMSCCFYDJRGXDM-FZKQIMNGSA-N 363.417 3.553 0 40 FHAB CCc1cccc(CC)c1NC(=O)CSc1nnc2nc(C)cc(C)n12 3266606 DVRCNFOQABTAER-UHFFFAOYSA-N 369.494 3.597 0 40 FHAB CC[C@@H](C)c1ccc([C@H](NC(=O)N2CCC(C(N)=O)CC2)C(C)C)cc1 12735631 JOVOBRVNOSOZFS-DNVCBOLYSA-N 359.514 3.804 0 40 FHAB Cc1cc(C)c2cc(C(=O)N(C)C[C@@H]3COc4ccccc4O3)[nH]c2c1 12731017 LGTLZUBMTHBWLR-OAHLLOKOSA-N 350.418 3.697 0 40 FHAB Cc1cc(C)cc(CSCC(=O)N2CCN(c3ccccc3)CC2)c1 20237883 MUNJJMILGNSVSB-UHFFFAOYSA-N 354.519 3.885 0 40 FHAB COc1cc(OC)cc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2)c1 3398041 FWOGAUUHSKLRFT-LLVKDONJSA-N 363.797 3.541 0 40 FHAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cc(Br)c[nH]1 13011758 USYOKLLJNQWFAK-LLVKDONJSA-N 355.232 3.883 0 40 FHAB COc1ccc(C(=O)NC2CCN(c3cc(C)ccc3F)CC2)c(F)c1 96003897 SKLDJLFPMCYTTH-UHFFFAOYSA-N 360.404 3.681 0 40 FHAB CC[S@@](=O)[C@H]1CCCC[C@@H]1NCc1ccc(OCC(F)(F)F)cc1 97227456 VGUWOGSHGBAHRI-YWTKSJFSSA-N 363.445 3.797 0 40 FHAB O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(N2CCCC2)nn1 84392652 POVHQAMRZMVOAQ-GOSISDBHSA-N 356.857 3.611 0 40 FHAB CC(C)c1ccc(/C=c2\sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1 5100762 RUIXCCQCLXNBRI-BOPFTXTBSA-N 365.433 3.628 0 40 FHAB Cc1nc2cc(C(=O)OCC(=O)c3ccc[nH]3)ccc2n1-c1ccccc1 4484065 PRMAVFUACDIWIS-UHFFFAOYSA-N 359.385 3.702 0 40 FHAB C[C@@H](NC(=O)C[C@@H](NC(N)=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 14279994 WGYBCLNDPXMFAZ-UUJYFKEHSA-N 369.509 3.507 0 40 FHAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(F)c(F)cc1Cl 6541440 DRNQPESIKXCFCD-OAHLLOKOSA-N 354.784 3.778 0 40 FHAB COc1ccc(-c2noc(CCC(=O)Nc3cccc(C)c3C)n2)cc1 5576900 AHWJQACKQKYEAC-UHFFFAOYSA-N 351.406 3.933 0 40 FHAB Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1[C@H](O)CC(C)(C)C2 9420571 JNFDHXQVRZRTIM-CYBMUJFWSA-N 357.406 3.617 0 40 FHAB COC(=O)c1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2ccc(C)c(F)c2)C(=O)N1 4852881 UNWLFZPGEUNYCD-OXQOHEQNSA-N 370.380 3.690 0 40 FHAB S=C(NCc1ccncc1)Nc1ccc(Br)cc1Cl 6969793 FQEQRIABRBNCIL-UHFFFAOYSA-N 356.676 3.984 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(c2ccccn2)CC1 4957207 OQJSXJPAJMICFD-UHFFFAOYSA-N 351.237 3.743 0 40 FHAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 19832005 LOCZSUXWXNWQOA-KRWDZBQOSA-N 372.896 3.760 0 40 FHAB COc1ccc2[nH]c(C)c(C(=O)CN3CCN(C4CCCCC4)CC3)c2c1 20134332 HRUBSRRFSVOTCH-UHFFFAOYSA-N 369.509 3.618 0 40 FHAB Cc1ccc(-n2nnnc2-c2cnc(C(C)(C)C)nc2C(F)(F)F)cc1 16311501 HYVHXCRTTNLKRX-UHFFFAOYSA-N 362.359 3.744 0 40 FHAB O=C(NCCCSc1ccc(F)cc1)c1cc(=O)c2ccccc2o1 7986705 KCLUUYZOKZGIHA-UHFFFAOYSA-N 357.406 3.844 0 40 FHAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cn1 16574791 ISBYSTQXRWTDLR-ZDUSSCGKSA-N 356.422 3.572 0 40 FHAB CC(C)c1ccc(S(=O)(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 69090848 IPMPHYOUQYBLJZ-OAQYLSRUSA-N 372.534 3.925 0 40 FHAB CCOc1cc(S(=O)(=O)N[C@H](C)c2ccccc2)c(OCC)cc1C 16780140 QDLPPZMJJZOBNZ-OAHLLOKOSA-N 363.479 3.832 0 40 FHAB Cc1nc2ccc(NC(=O)[C@@H](NC(=O)c3ccccc3)C(C)C)cc2s1 9746698 HDLNEKLUNJJFCP-SFHVURJKSA-N 367.474 3.998 0 40 FHAB CC(C)(C)c1ccc(/C=C/C(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1 62714662 FLLIVAURFJGHKI-FIIODCPWSA-N 351.446 3.809 0 40 FHAB CC(=O)c1cccc(NC(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)c1 89331494 XQLQHWAAYUZXLW-KRWDZBQOSA-N 367.453 3.576 0 40 FHAB COc1ccccc1C(=O)Nc1ccc(-c2ccc(CO)o2)c(OC)c1 20141193 NOPXCJKFEVYHLB-UHFFFAOYSA-N 353.374 3.708 0 40 FHAB COc1cccc(-c2nc3cc(NC(=S)NC(=O)C(C)C)ccc3o2)c1 21579633 YWSHNDDJWVYPAU-UHFFFAOYSA-N 369.446 3.972 0 40 FHAB CN1C(=O)S/C(=C\c2ccccc2OCc2ccc3c(c2)OCO3)C1=O 408810450 JVFYTIIOVUHWDM-MFOYZWKCSA-N 369.398 3.660 0 40 FHAB CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccccc2C(C)C)c1 32904784 YGEVVINCTOCKDX-UHFFFAOYSA-N 360.479 3.669 0 40 FHAB CCNC(=O)c1cc(S(=O)(=O)Nc2cccc3ccccc23)ccc1C 408603452 KAKWTRPTUGYWQW-UHFFFAOYSA-N 368.458 3.699 0 40 FHAB CC(=O)N[C@]1(c2nc(C)cs2)CCN([C@@H]2CCCc3ccccc32)C1 548666012 VKSKQGUWEIQAOQ-UYAOXDASSA-N 355.507 3.566 0 40 FHAB CCC(=O)Nc1ccccc1SCc1cc(=O)n2cc(Cl)ccc2n1 33025860 WMXJVUAXMUJHBK-UHFFFAOYSA-N 373.865 3.989 0 40 FHAB CCOc1ccc(NC(=O)c2cn(CC)c3ccc(C)cc3c2=O)cc1 408713313 SDYFASGQYOLWGM-UHFFFAOYSA-N 350.418 3.981 0 40 FHAB O=C(NCCc1ccccc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 38832936 MKZQSSZOHVPUPI-IBGZPJMESA-N 356.897 3.911 0 40 FHAB COc1ccc(OC)c(-c2ccc(OC(=O)c3ccc(C)cc3)nn2)c1 408535133 YAGUHKBCPGBTTR-UHFFFAOYSA-N 350.374 3.688 0 40 FHAB C[C@@](O)(Cn1nc(-c2ccccc2)c(-c2ccccc2)cc1=O)C(F)(F)F 513217143 JOZJQRPAMSZWRR-LJQANCHMSA-N 374.362 3.891 0 40 FHAB COc1cc(C)c([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72218054 BZWLIYZKVYIYHE-GOSISDBHSA-N 360.479 3.623 0 40 FHAB O=C(CCc1ccccc1)NCCCCN1CCO[C@H](c2ccccc2)C1 36700069 PDUIRHSMEPTQDK-QFIPXVFZSA-N 366.505 3.589 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)COc1ccc(C)cc1 219358186 GEVFOYIZZJIABH-JXFKEZNVSA-N 357.450 3.745 0 40 FHAB Cc1cc(Nc2ccccn2)nc([C@H]2CCCN(Cc3cccnc3)C2)n1 72359986 XLSYPWKYYWBLLZ-SFHVURJKSA-N 360.465 3.698 0 40 FHAB COc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1F 40025192 DEXPYKNPBACORJ-AWEZNQCLSA-N 353.397 3.730 0 40 FHAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 224076923 SIXVLTILPFEXGF-IBGZPJMESA-N 366.505 3.524 0 40 FHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 225475935 STOVFVFLALYVLY-MRXNPFEDSA-N 372.896 3.824 0 40 FHAB CCOc1ccc(S(=O)(=O)N(C)c2cccc(OC)c2)cc1Cl 223010780 XQFFRJDXJOPIJS-UHFFFAOYSA-N 355.843 3.572 0 40 FHAB Cc1occc(=O)c1OCC(=O)Nc1ccc(Oc2ccccc2)cc1 44917939 GBVNCHDTLMQABH-UHFFFAOYSA-N 351.358 3.758 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cc(N)ccc2N2CCCC[C@@H]2C)cc1 226255901 ROGYZVSIKJWMSF-HNNXBMFYSA-N 359.495 3.757 0 40 FHAB C[C@H]1C[C@H](C)CN(CCNC(=O)c2cc(Br)ccc2Cl)C1 225074016 MXLBEOPANJWELN-RYUDHWBXSA-N 373.722 3.810 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)COc2ccccc2C(C)C)cc1 222809153 UIARLKRERAHZBS-INIZCTEOSA-N 357.450 3.781 0 40 FHAB COc1ccccc1[C@H](O)CNC(=O)Nc1cc(Cl)cc(Cl)c1 40096654 HOZWTRCCDSNCSB-CQSZACIVSA-N 355.221 3.857 0 40 FHAB COc1ccc([C@@H](C)NC(=O)c2cn3c4c(cccc4c2=O)C[C@H]3C)cc1 223097371 XDCHHZQOBCASPT-ZIAGYGMSSA-N 362.429 3.618 0 40 FHAB CCc1cc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2)ccc1OC 224936241 QOBMLMOWWCHBFC-UHFFFAOYSA-N 360.479 3.659 0 40 FHAB COc1ccc2nc(C[C@H]3CN(CC(C)(C)C)CC[C@H]3CC(=O)O)[nH]c2c1 514289442 UJTQJCSAEUAEQI-GJZGRUSLSA-N 373.497 3.573 0 40 FHAB biogenic,in-vitro COc1ccc(OCCCC(=O)NCCOc2ccccc2Cl)cc1 224146375 KXUWWYWBYVHCKL-UHFFFAOYSA-N 363.841 3.703 0 40 FHAB CNC(=O)C[C@@H]1CC2(CCN(Cc3ccc(C)o3)CC2)c2ccccc21 96052574 HKYDUQSLJKYKTI-QGZVFWFLSA-N 352.478 3.745 0 40 FHAB C[C@@H]1c2ncc(COCc3ccccn3)n2CCN1Cc1ccsc1 96206031 WCWASHVZVVUWMA-OAHLLOKOSA-N 354.479 3.633 0 40 FHAB O=C(Nc1ccccc1-c1cccs1)N1CCC[C@H](n2ccnn2)C1 584169093 RNAPVHLZQKREAC-AWEZNQCLSA-N 353.451 3.876 0 40 FHAB O=S(=O)(c1ccsc1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 585081720 MUCGWXMZOUFBKM-INIZCTEOSA-N 371.911 3.536 0 40 FHAB Cn1cncc1-c1cncc(C2CCN(C(=O)CC3CCCCC3)CC2)n1 257291278 QGIOPXNTYBMRCL-UHFFFAOYSA-N 367.497 3.554 0 40 FHAB Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCCO[C@@H](C)C3)c12 1163963237 ZKYXAOLKDJWWJX-HNNXBMFYSA-N 350.466 3.712 0 40 FHAB Cc1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)OCCO)cc1 96337696 QSRMAZYYVFUZOG-HXUWFJFHSA-N 355.478 3.773 0 40 FHAB O=C(O)[C@@H](Cc1ccco1)NCOCC1c2ccccc2-c2ccccc21 390822556 CQHASZVLDXOUIZ-OAQYLSRUSA-N 363.413 3.652 0 40 FHAB O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCCCC[C@H]1c1ccco1 76497538 ASBHSEHMMNKEOE-AWEZNQCLSA-N 368.355 3.604 0 40 FHAB CCOC1CC2(CCN(C(=O)C[C@@H]3CCCc4cc(OC)ccc43)C2)C1 585082090 BAEJJFMPTAELCU-QXAHSBQVSA-N 357.494 3.923 0 40 FHAB O=C(Cc1ccccc1)Nc1cccc(C(=O)Nc2cccc(C(=O)O)c2)c1 5197221 UDFQZNDCCIRBNV-UHFFFAOYSA-N 374.396 3.818 0 40 FHAB Cc1ccc(NCc2n[nH]c(SCC(=O)Nc3ccc(C)cc3)n2)cc1 5448240 YPDYCVKCLUGGFN-UHFFFAOYSA-N 367.478 3.764 0 40 FHAB Cc1ccccc1-c1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2C)n1C 5859579 JCHOCQIUIBFZRH-GDBMZVCRSA-N 358.511 3.578 0 40 FHAB Cc1ccc(C[C@@H]2SC(CC(=O)NCc3ccccc3)=NC2=O)cc1C 12274175 KPTKQVUMOUZMSK-SFHVURJKSA-N 366.486 3.593 0 40 FHAB CC(C)(C)OC(=O)NCc1cccc(NC(=O)Cc2ccc(O)cc2)c1 12648951 NSCBNDOWXXIPRH-UHFFFAOYSA-N 356.422 3.598 0 40 FHAB C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1cccc(C(F)(F)F)c1 14574696 FPCOFTGHPHEMCM-LLVKDONJSA-N 371.380 3.600 0 40 FHAB O=c1cc([C@@H]2CCCCN2Cc2cccs2)[nH]c(-c2ccccn2)n1 19402758 APVVLQULSOTBME-KRWDZBQOSA-N 352.463 3.621 0 40 FHAB CC(=O)N1CCC(c2nc(N(C)C)ncc2-c2cccc(Cl)c2)CC1 19694173 NWMAEMAOLMBCBL-UHFFFAOYSA-N 358.873 3.589 0 40 FHAB O=C(COC(=O)/C=C/c1ccc(C(F)(F)F)cc1)NCc1ccccc1 3369079 CCRDDXCVALBWFK-DHZHZOJOSA-N 363.335 3.578 0 40 FHAB COc1ccccc1-c1c(C)nn2c(NC[C@H]3CCCO3)cc(C)nc12 3063712 WMPKBYQEQWXCIW-OAHLLOKOSA-N 352.438 3.613 0 40 FHAB CN(C)[C@H](CNC(=O)c1cc(N)nc2ccccc12)c1cccc(Cl)c1 19666074 HZAPHCWNEGNTMN-GOSISDBHSA-N 368.868 3.503 0 40 FHAB CCOc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1Br 681673168 QAMORJUULBSAPV-UHFFFAOYSA-N 360.215 3.567 0 40 FHAB Cc1cc(OCCOC(=O)c2ccc(CNC(N)=O)cc2)ccc1C(C)C 25680006 PMVYJAXJFHWBIH-UHFFFAOYSA-N 370.449 3.523 0 40 FHAB CC(C)(C)c1ccc(-c2nnc3s/c(=C\c4ccccc4)c(=O)n23)cc1 3671213 LFVAVODQMNEHCO-LGMDPLHJSA-N 361.470 3.663 0 40 FHAB Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)CCCc3ccccc3)cc12 3911855 BJIKHSCFIVYZPI-UHFFFAOYSA-N 362.473 3.827 0 40 FHAB O=C(Nc1c(F)cccc1F)N1CCn2cccc2[C@@H]1c1ccncc1 4329910 XGLWWLFJOXRVGB-SFHVURJKSA-N 354.360 3.798 0 40 FHAB Cc1cccc(NC(=O)CSc2ccc(-c3ccccn3)nn2)c1C 4358045 SMUAVHAEQXSMHP-UHFFFAOYSA-N 350.447 3.886 0 40 FHAB COc1ccc(CCC(=O)Nc2cccc(N3CCCCC3=O)c2)cc1 5441612 LEGDWFRGJINYCU-UHFFFAOYSA-N 352.434 3.783 0 40 FHAB COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCc2ccccc2C1 6667896 WAVTWJUPYXYKDG-UHFFFAOYSA-N 359.491 3.740 0 40 FHAB COc1ccccc1Cn1ccnc1SCC(=O)Nc1cccc(C)c1 15825580 FJYIYKNFEDBJQW-UHFFFAOYSA-N 367.474 3.979 0 40 FHAB Cc1c(Cl)cc2c(oc(=S)n2[C@@H]2CC(=O)[C@H]3OC[C@H]2O3)c1Cl 105601993 RBPUDUPCQGACEW-OHILOLKFSA-N 360.218 3.834 0 40 FHAB O=C(CSc1ccc(F)c(F)c1)NCc1ccccc1Cn1ccnc1 40023589 LSCUCCZAQDJASI-UHFFFAOYSA-N 373.428 3.618 0 40 FHAB CC(=O)NC1(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)CCCCC1 40151363 RGUXFOHOPVNMJV-GFCCVEGCSA-N 356.388 3.722 0 40 FHAB O=C(Cc1csc(-c2ccccn2)n1)NCc1nc2ccccc2s1 30971559 LNDKFEBFLQGSLQ-UHFFFAOYSA-N 366.471 3.674 0 40 FHAB C[C@@H](OC(=O)c1ccccc1Oc1ccccc1)C(=O)NCc1ccco1 20867649 SWOVVIJCLFYZJK-OAHLLOKOSA-N 365.385 3.934 0 40 FHAB CCN(Cc1ccc(OC)c(F)c1)Cc1nc(-c2ccccc2OC)no1 32751546 WAZLXCHPFAHZLL-UHFFFAOYSA-N 371.412 3.915 0 40 FHAB COCc1ccccc1CNC(=O)c1cc(F)cc(Br)c1 32930061 QHDRHUTWVBKGLP-UHFFFAOYSA-N 352.203 3.665 0 40 FHAB Cc1ccc(CN(C)C(=O)CS(=O)(=O)Cc2ccc(C(C)C)cc2)cc1 32929678 UCTBFGYQYOZDBB-UHFFFAOYSA-N 373.518 3.692 0 40 FHAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2C)n1C 648261 HITCNMHVABPDHS-UHFFFAOYSA-N 352.463 3.830 0 40 FHAB O=c1c2c3c(sc2nc2n1N=C(c1cccs1)CS2)CCCC3 642549 SVDJEUDUMUNLKY-UHFFFAOYSA-N 359.501 3.756 0 40 FHAB C[C@H](c1nnc(-c2cccs2)o1)N1CCN(Cc2cccs2)CC1 22803742 UQXFSFVSNLRKOV-CYBMUJFWSA-N 360.508 3.738 0 40 FHAB C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(Br)o2)C1 54226379 YSMCVUZUDHAAQP-OCCSQVGLSA-N 363.255 3.607 0 40 FHAB CCOC(=O)c1ccc2c(c1)[n+](CCOc1ccccc1)c(C)n2CC 857133 YYLNDXBMERLKKY-UHFFFAOYSA-N 353.442 3.513 0 40 FHAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccco2)n1C 2427799 MUHIRVIFHINPNO-UHFFFAOYSA-N 362.842 3.768 0 40 FHAB O=C(N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1)N1CCCCC1 2457606 HHBDYKWEXWIXEP-CQSZACIVSA-N 350.724 3.523 0 40 FHAB Cc1cc(F)ccc1NC(=O)[C@H](C)Cn1nc(C)c(Br)c1C 2795365 LJONNDOHENMWRD-SNVBAGLBSA-N 368.250 3.985 0 40 FHAB COc1cc(OC)c(C(=O)OCc2c(F)cccc2Cl)cc1OC 3319298 VMQMAKNJOUVSCZ-UHFFFAOYSA-N 354.761 3.862 0 40 FHAB COc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1Cl 3347517 SKLHJXLBOYVUAD-HNNXBMFYSA-N 372.852 3.644 0 40 FHAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)NCc1cccs1 3390431 QNOZHENQWSOMBM-UHFFFAOYSA-N 370.503 3.615 0 40 FHAB COc1ccc(-n2c(C)nc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1 4035079 MCYFWOAVAGAENV-UHFFFAOYSA-N 366.808 3.542 0 40 FHAB O=C(O)c1cnn(-c2nc(-c3cccc(F)c3)cs2)c1C(F)(F)F 4092710 AMLFBAQPLVTJGF-UHFFFAOYSA-N 357.288 3.852 0 40 FHAB O=C(CSc1ccc(-c2ccc3c(c2)OCO3)nn1)c1ccccc1 4356638 CUTPHJKSEMHVSW-UHFFFAOYSA-N 350.399 3.847 0 40 FHAB O=C(OC1CCCCC1)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1 4592811 HBJQYTJSDMIQTC-SLDRDFCHSA-N 367.445 3.712 0 40 FHAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)CN2CCC(C)CC2)[C@@H]3CCC1 4623426 GACWYYVKEWQYPY-OAQYLSRUSA-N 365.521 3.901 0 40 FHAB CCOc1ccc(-c2cn3c(CC(=O)N[C@@H](C)CC)csc3n2)cc1 5146909 AMHKJLZSDZVTEE-ZDUSSCGKSA-N 357.479 3.919 0 40 FHAB O=C([C@@H](Sc1nnc(C2CC2)n1C1CC1)c1ccccc1)N1CCCC1 5572644 SHILMBRHKFFNLF-KRWDZBQOSA-N 368.506 3.946 0 40 FHAB COc1ccc(-c2cc(C3(O)CCN(Cc4ccccc4)CC3)on2)cc1 6658057 NKZCKRUUNKADHP-UHFFFAOYSA-N 364.445 3.834 0 40 FHAB CCCN1C(=O)/C(=N/Nc2ccc(Cl)c(C(=O)O)c2)c2ccccc21 6879406 YVYKGIBBFSDNOH-LTGZKZEYSA-N 357.797 3.611 0 40 FHAB O=C(NCCc1cccc(F)c1)c1ccc(NC(=O)c2ccco2)cc1 7125095 IEMOVFRTYHZDCD-UHFFFAOYSA-N 352.365 3.644 0 40 FHAB CCCn1c(=O)n(CC(=O)c2cc(C)n(C3CC3)c2C)c2ccccc21 7252687 SUMYCXCJAZWMMP-UHFFFAOYSA-N 351.450 3.849 0 40 FHAB COc1cc(OC)c(OC)cc1CNC(=O)c1cccc(C(F)(F)F)c1 7274259 DOVDJALKPVIYSA-UHFFFAOYSA-N 369.339 3.661 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 7398558 VETLULZUUVSHNS-NVXWUHKLSA-N 352.434 3.634 0 40 FHAB COc1cc2[nH]c(/C(Cl)=C/c3ccc(F)cc3)nc(=O)c2cc1OC 7502889 QAEPDHFOSWTDTO-QPEQYQDCSA-N 360.772 3.816 0 40 FHAB Cc1ccc(C(=O)CSc2nnnn2-c2c(C)cccc2C)cc1C 8251328 QNPZDOBRKGBKFX-UHFFFAOYSA-N 352.463 3.871 0 40 FHAB O=C(CSc1nc2sccc2c(=O)[nH]1)Nc1ccc2ccccc2c1 8456505 OPVNSMXCIUBYRS-UHFFFAOYSA-N 367.455 3.869 0 40 FHAB CC(C)CNC(=S)NC1C[C@@H]2CCC[C@H](C1)N2Cc1cccs1 8687072 LKAUYFUJHOLBHK-MQVJKMGUSA-N 351.585 3.754 0 40 FHAB Cc1ccc(F)cc1NC(=O)CN(C)CCOc1ccc(Cl)cc1 8772328 IEGOMRGORBHIQS-UHFFFAOYSA-N 350.821 3.737 0 40 FHAB Cc1noc2nc(-c3ccco3)cc(C(=O)NCc3nc4ccccc4[nH]3)c12 8777687 YRTLVKSIZOQHDB-UHFFFAOYSA-N 373.372 3.598 0 40 FHAB COc1cccc(-c2nn(Cc3ccccc3)c(=O)c3nc(C)sc23)c1 8955917 RDWFZOSXVCGQRJ-UHFFFAOYSA-N 363.442 3.885 0 40 FHAB CCCN1C(=O)CCc2cc(NC(=O)c3ccc(OC)cc3OC)ccc21 9107237 FVPHLYZCHWGJGE-UHFFFAOYSA-N 368.433 3.645 0 40 FHAB O=C(Nc1nc2c(F)cc(F)cc2s1)c1cncc(Br)c1 9513076 MOBVWILKDFUMOT-UHFFFAOYSA-N 370.178 3.984 0 40 FHAB Cn1c(SCCCC(=O)c2ccc(F)cc2)nnc1-c1cccnc1 9690357 CBZKYRNYEWOWAC-UHFFFAOYSA-N 356.426 3.771 0 40 FHAB COc1ccc(CC(=O)N2CCC(c3onc4c3CCCCC4)CC2)cc1 12119960 AJFAKOPELLHZAC-UHFFFAOYSA-N 368.477 3.901 0 40 FHAB CCCO[C@@H]1CCCN(Cc2cn(CC(=O)NC(C)C)c3ccccc23)C1 12364446 GSLSGQLOTILTGT-LJQANCHMSA-N 371.525 3.557 0 40 FHAB O=C(CCc1nc2ccccc2[nH]1)NCCOc1ccc2ccccc2c1 12506978 VBHUPWAZAVYJLI-UHFFFAOYSA-N 359.429 3.844 0 40 FHAB COc1ccc(C)c2s/c(=N\C(=O)c3ccc(C(C)=O)cc3)n(C)c12 12514616 UEGQJGPJYDUNPC-VXPUYCOJSA-N 354.431 3.501 0 40 FHAB Cc1cc(Oc2ccc(S(=O)(=O)N3CCCC3)cn2)ccc1Cl 12606569 SXXISQLJNVMFJU-UHFFFAOYSA-N 352.843 3.620 0 40 FHAB O=C(CCOc1ccccc1)OCC(=O)c1ccc(Br)s1 12748846 SVWAMLZYJHLDIP-UHFFFAOYSA-N 369.236 3.706 0 40 FHAB O=C(NCCCN1CCc2ccccc21)c1ccc(Br)cc1 13673468 PQUIRKZZFNTKJE-UHFFFAOYSA-N 359.267 3.632 0 40 FHAB CC(C)(C)c1ccc(C(=O)NCC(=O)NCC2(c3ccccc3)CC2)cc1 14117797 AKGMKVVFRGFOMW-UHFFFAOYSA-N 364.489 3.562 0 40 FHAB Cc1cc(C)c(NC(=O)CCc2nc(-c3ccncc3)no2)c(Cl)c1 14789239 AYVZCZHMADYAPF-UHFFFAOYSA-N 356.813 3.973 0 40 FHAB O=C1S/C(=C\c2ccc(O)cc2)C(=O)N1CCOc1ccc(F)cc1 15010892 PTZNCXZWZYXNHV-WJDWOHSUSA-N 359.378 3.647 0 40 FHAB CCc1ccc(NC(=O)CSc2nnc(COc3ccccc3)o2)cc1 16739422 FZAYQGZKDXGTAP-UHFFFAOYSA-N 369.446 3.942 0 40 FHAB COP(=O)(OC)c1nc(Cc2ccccc2)oc1NCc1ccco1 16751763 NVNPDXLEGAVMSP-UHFFFAOYSA-N 362.322 3.582 0 40 FHAB O=C1CCC[C@]2(CN(Cc3ccccc3)C[C@H]2c2cc(F)ccc2F)N1 19372595 SSSADAUABSJWBG-GHTZIAJQSA-N 356.416 3.603 0 40 FHAB Cc1nc(Cn2c(C)nc3ccccc32)cc(NCc2ccc(CO)cc2)n1 19655691 XGNRHLXFVIEVHG-UHFFFAOYSA-N 373.460 3.596 0 40 FHAB CC(C)C(=O)N1CCC(c2nc(N(C)C)ncc2-c2ccc(F)cc2)CC1 19694155 AXUPXHIXKNUMCS-UHFFFAOYSA-N 370.472 3.711 0 40 FHAB CCn1c(=N)n(C[C@@H](O)c2ccc(Cl)c(Cl)c2)c2ccccc21 19708048 HEDISQHZLJWIDR-MRXNPFEDSA-N 350.249 3.983 0 40 FHAB Cc1cccc(CNC(=O)CC2CCN(C(=O)CC3CCCCC3)CC2)n1 19748349 SCHZJQNYRSIXHL-UHFFFAOYSA-N 371.525 3.605 0 40 FHAB CC(C)C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 19928955 OLFTUEWLVYYPJB-UHFFFAOYSA-N 358.432 3.854 0 40 FHAB COc1ccc(C(=O)O)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 20144739 OIYCSWGCANJNAJ-UHFFFAOYSA-N 363.797 3.843 0 40 FHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1 22521467 VSDICTIBFXTJTM-LLGFUMIMSA-N 360.542 3.945 0 40 FHAB O=C(CCc1ccc2c(c1)OCCO2)NCc1cccc(C(F)(F)F)c1 24615510 OYDJQOHCUYMIAB-UHFFFAOYSA-N 365.351 3.726 0 40 FHAB CCOc1ccccc1-c1nc(CC(=O)N(C)Cc2cc(C)on2)cs1 25138579 DDSIDUMUQGSYRV-UHFFFAOYSA-N 371.462 3.706 0 40 FHAB O=C(Nc1ccc(OS(=O)(=O)c2cccs2)cc1)c1ccccc1 25649116 KQXUFLSTZCPLKK-UHFFFAOYSA-N 359.428 3.768 0 40 FHAB O[C@@H](CN1CCN(c2nc3ccccc3s2)CC1)c1ccc(Cl)cc1 26441528 KCMCTUQIAHNAGF-KRWDZBQOSA-N 373.909 3.805 0 40 FHAB CCc1ccc(O)c(-c2cc(C(=O)Nc3ccc(NC(C)=O)cc3)[nH]n2)c1 27749923 PYATWUJFFINKCI-UHFFFAOYSA-N 364.405 3.555 0 40 FHAB CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1cc(OC)ccc1OC 27975695 OUMMEPYKDLJUCA-IBGZPJMESA-N 355.434 3.989 0 40 FHAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cn1 29456618 VMQDCYALWSBFSR-OAHLLOKOSA-N 354.454 3.520 0 40 FHAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)NCCCn1cccn1 30170167 SMQCKDPSCJKIHC-UHFFFAOYSA-N 358.445 3.711 0 40 FHAB COc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1Cl 30288893 GHUFWNBRLDRNKB-CYBMUJFWSA-N 353.871 3.648 0 40 FHAB CC(C)[C@@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc12)N(C)C 30610860 STRUJFPUDURCFF-OAQYLSRUSA-N 362.477 3.613 0 40 FHAB O=C(Nc1ccccc1)[C@@H]1CC(O)=Nc2cc(-c3ccc(F)cc3)nn21 32090872 TUXZRTCIEXBJTA-INIZCTEOSA-N 350.353 3.861 0 40 FHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc3c(c2)CCO3)c1 32454090 HNXNFLKTGZYJNR-GOSISDBHSA-N 353.418 3.616 0 40 FHAB CCN(C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccccc1C 32753831 LVUBYNIFGDWCMP-IBGZPJMESA-N 352.434 3.779 0 40 FHAB Cc1nn(C)c(C)c1CCC(=O)O[C@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 32862209 FEPULCWQPTYLKM-NOCBQHASSA-N 372.509 3.687 0 40 FHAB O=C(O)CCCn1c(/C=C/c2cc(F)ccc2F)nc2ccccc2c1=O 40139855 BJHNQXNBOQKORM-JXMROGBWSA-N 370.355 3.710 0 40 FHAB CCc1nnc(NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)s1 40140291 KIKMCWXFMMWHRW-SECBINFHSA-N 370.272 3.577 0 40 FHAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)Nc1nncs1 43130928 IKAZZXKGYGKNRC-HNNXBMFYSA-N 363.446 3.973 0 40 FHAB CSc1cc(C(=O)CSc2ncc3ccccn23)ccc1NC(C)=O 43242369 JZOJMMFJSSDXTQ-UHFFFAOYSA-N 371.487 3.990 0 40 FHAB CCOC(=O)c1cc(NC(=O)/C=C/c2ccc3c(c2)OCO3)ccc1Cl 44840167 YQLAXOBJNGIZTD-XBXARRHUSA-N 373.792 3.897 0 40 FHAB CCc1ccc2c(CNc3cccc(N4CCOC4=O)c3)cc(=O)oc2c1 46816831 YMXQCAJMFPZWRB-UHFFFAOYSA-N 364.401 3.924 0 40 FHAB Cc1cc(F)c2c(c1)CCCN2C(=O)c1ccc(-n2nc(C)cc2C)nc1 48287563 UZNPOXOBMMZEIQ-UHFFFAOYSA-N 364.424 3.925 0 40 FHAB COc1cc(/C=C/C(=O)Nc2ccc(-n3ccnc3)c(F)c2)cc(OC)c1 48290723 FZJOICFLUPEPET-ZZXKWVIFSA-N 367.380 3.681 0 40 FHAB CCCn1cc(-c2nc(-c3ccccn3)no2)c(=O)c2cc(F)ccc21 49001944 CFLVHVKEVKVJTH-UHFFFAOYSA-N 350.353 3.663 0 40 FHAB Cc1csc(SCc2ccc(C(=O)NC3CCC(O)CC3)cc2)n1 49908988 RJRHBGREETXOCM-UHFFFAOYSA-N 362.520 3.777 0 40 FHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1(c2ccccc2)CCC1 52610553 MIECOYHKCHHGJO-KRWDZBQOSA-N 360.461 3.909 0 40 FHAB CCc1ccc(-c2nc(C)c(C(=O)NCCCn3ccnc3)s2)cc1 53274345 FPBSWADSEAXVIY-UHFFFAOYSA-N 354.479 3.698 0 40 FHAB CCOc1cc(/C=C/C(=O)Nc2cc(OC)ccc2OC)ccc1OC 57363816 YCZKUBVWIANQMN-YRNVUSSQSA-N 357.406 3.763 0 40 FHAB CCc1ccccc1NC(=O)c1cc(-c2ccc(OC)cc2OC)[nH]n1 57412837 AEWXOXQAPRNMHY-UHFFFAOYSA-N 351.406 3.909 0 40 FHAB CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(-n3cncn3)cc2)cc1 58065744 HKNACORNPPEICE-HXUWFJFHSA-N 362.433 3.643 0 40 FHAB CC(=O)N(C)c1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)cc1 58197054 QRVHGFHOUGTAAF-UHFFFAOYSA-N 374.824 3.736 0 40 FHAB O=C(Oc1ccc(Cl)c2ccccc12)c1ccc(N2CCOCC2)nc1 58356579 LEFVBKIBKAFWEF-UHFFFAOYSA-N 368.820 3.944 0 40 FHAB COc1cc(C(=O)N2CCC[C@H](N3CCCC3)C2)ccc1OC1CCCC1 58917815 SSTSHNYFSIMUJW-SFHVURJKSA-N 372.509 3.717 0 40 FHAB COc1ccc(-c2nc(C)cc(SCC(=O)NCCC(C)C)n2)cc1 67257557 NZBQUXNSHCHTHD-UHFFFAOYSA-N 359.495 3.715 0 40 FHAB CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OC(=O)CCCOC 72289673 RRHFPRDVGVLTPH-OAHLLOKOSA-N 351.443 3.994 0 40 FHAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(C(=O)NC2CCCC2)C1 72306828 OYMUJJNDYYXYCM-LBPRGKRZSA-N 367.852 3.782 0 40 FHAB O=C(CN1CCCCCC1)N1CCC[C@H]1c1n[nH]cc1-c1ccccc1F 72380343 WRTGOEQGSKOFFC-IBGZPJMESA-N 370.472 3.755 0 40 FHAB COc1ccc(OC)c2c1cc(C(=O)Nc1ccc(F)c(F)c1F)n2C 72402452 YCGPXBSFCJPQFE-UHFFFAOYSA-N 364.323 3.865 0 40 FHAB CC(C)c1ccccc1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 78234799 IXUGFSJBPYFUIX-UHFFFAOYSA-N 359.426 3.936 0 40 FHAB FC1(F)Oc2ccc(NC(=S)N3CCC[C@@H]3c3ccncc3)cc2O1 84489967 QDTMJXZOKBFPOT-CYBMUJFWSA-N 363.389 3.937 0 40 FHAB COc1ccc([C@@H]2C[C@H](C)N(C(=O)CN3CCc4sccc4C3)C2)cc1 84686421 XYQPQWSKFWFYNH-MAUKXSAKSA-N 370.518 3.519 0 40 FHAB CCOC(=O)N1CCC(OC(=O)c2ccc(-c3ccccc3)nc2C)CC1 84793550 GVQDBEMTVLTZKQ-UHFFFAOYSA-N 368.433 3.835 0 40 FHAB COc1ccc(CCN[C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1OC 95419027 KMWPTLUNPJHXAV-CQSZACIVSA-N 368.477 3.827 0 40 FHAB COc1cccc(CN2CCC[C@]3(CCN(Cc4csc(C)n4)C3)C2)c1 96215573 ZDPYZLFPSVWZAX-NRFANRHFSA-N 371.550 3.948 0 40 FHAB COc1ccccc1[C@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)OC 96384782 KUZSHJMSNGUDJY-INIZCTEOSA-N 369.339 3.711 0 40 FHAB Cc1cccc(C)c1N1C(=O)C[C@@H](N(C)Cc2cccc(Cl)c2)C1=O 97011560 JIIZRJHZCRWDNF-QGZVFWFLSA-N 356.853 3.721 0 40 FHAB Cc1ccc(NC(=O)c2ccc3c(c2)N(C)[C@@H]2CCCCN2C3=O)cc1F 97944056 FOFBREVPXORSMU-IBGZPJMESA-N 367.424 3.788 0 40 FHAB Cc1occc1-c1cc2nc3c(c(O)n2n1)CCN(CCc1ccccc1)C3 100724307 GBZXJMXXOMETGI-UHFFFAOYSA-N 374.444 3.604 0 40 FHAB C[C@H](NC(=O)C1CCCCC1)c1cc(O)n2nc(-c3cccs3)cc2n1 100769307 UGGSKDWTZAJGBG-LBPRGKRZSA-N 370.478 3.921 0 40 FHAB COc1ccc(OC)c2c1s/c(=N\C(=O)c1ccc(Cl)cc1)n2C 100908597 DZXOJPRLUOKAJF-ZPHPHTNESA-N 362.838 3.652 0 40 FHAB CCOc1ccc(CNC(=O)COc2ccccc2Cl)cc1OCC 218847014 HHIVXTWTVUWJKE-UHFFFAOYSA-N 363.841 3.833 0 40 FHAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 222815055 GOSAOZXKNFDHQS-OALUTQOASA-N 363.490 3.648 0 40 FHAB COc1ccccc1OCCNC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 224425262 AMTRQNJAMDJYLL-KRWDZBQOSA-N 357.450 3.583 0 40 FHAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NC1CCCCC1 224977329 MJQOCCYXAAFHNN-INIZCTEOSA-N 360.498 3.661 0 40 FHAB Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(F)s1 225389729 WUPWKCOFVGBNFQ-UHFFFAOYSA-N 350.234 3.759 0 40 FHAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 225410644 BRJIQIZAEGEVAT-INIZCTEOSA-N 372.896 3.663 0 40 FHAB Cc1ccccc1-c1noc(CCC(=O)N[C@H](C)c2ccc(F)cc2)n1 225817240 KNKWGYXBIVYAPR-CQSZACIVSA-N 353.397 3.994 0 40 FHAB O=C(NC[C@H]1CCCO1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 225908388 ILNISRZLVAETCD-GDBMZVCRSA-N 371.308 3.501 0 40 FHAB Cc1cccc(Nc2cc(C3CCN(Cc4ccnn4C)CC3)ccn2)n1 257233299 GORAWBAXCFGVOI-UHFFFAOYSA-N 362.481 3.642 0 40 FHAB CC(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)CC2CCCC2)c2ccccn2)CC1 257250021 JKRSQYBMVYCTDB-WOIUINJBSA-N 371.525 3.762 0 40 FHAB CCN(C)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)C(C)C)CC2)C1 257256626 KMGLYKBKROCLNF-PMACEKPBSA-N 358.526 3.876 0 40 FHAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@H]3C[C@H]3C)cc2N1 257367396 IJGDDOAODONPPB-SSYGJKRZSA-N 356.392 3.510 0 40 FHAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCC(C)C)cc1 408676355 NHYAIGZQPRCCDF-UHFFFAOYSA-N 350.418 3.570 0 40 FHAB Cc1cc(C)cc(NC(=O)[C@@H]2CCC(=O)N2C(=O)OCc2ccccc2)c1 408738316 RMFSDGJXENEKBA-SFHVURJKSA-N 366.417 3.570 0 40 FHAB CC[C@@H](CC(F)(F)F)NS(=O)(=O)c1cc(Cl)c2c(c1)C[C@@H](C)O2 546177395 NUOMUAFTSQIIAC-SCZZXKLOSA-N 371.808 3.673 0 40 FHAB CCCCC(=O)N1CCC2(CC1)OCC[C@@H]2CCOCc1ccccn1 575405322 YPNMUIFBZMGAEJ-SFHVURJKSA-N 360.498 3.576 0 40 FHAB COc1ccc2c(-c3ccccc3)c(C(=O)N[C@H](CCN)C(F)F)oc2c1 576871946 BJRAMSGQDUJVSN-OAHLLOKOSA-N 374.387 3.821 0 40 FHAB O[C@@H]1[C@@H](N2CCC(C(F)(F)F)CC2)CCC[C@H]1Oc1cccc(F)c1 585289435 JNXCUCXZMFCOQE-GVDBMIGSSA-N 361.379 3.761 0 40 FHAB CC(C)(C)OC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1 601014554 VYLAPJPXVVMMJS-CVEARBPZSA-N 362.470 3.914 0 40 FHAB Cc1noc(C)c1[C@H](C)C(=O)NCc1c(C(=O)O)sc2ccccc12 676018442 HXACUMULRNJDJQ-VIFPVBQESA-N 358.419 3.624 0 40 FHAB CC[C@H](NC(=O)[C@@H](C)n1ccc(C(F)(F)F)n1)c1cc(F)ccc1OC 1535387404 OBXGKDKHTVKFML-MFKMUULPSA-N 373.350 3.878 0 40 FHAB Cc1sc2ncn(CC(=O)OC(C)C)c(=O)c2c1-c1ccc(F)cc1 807851 MPCFDCOYPMOXGI-UHFFFAOYSA-N 360.410 3.524 0 40 FHAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3nccs3)C(=O)[C@@H]12 840258 OIVNAPMEONAQFY-NYXBAERPSA-N 372.449 3.714 0 40 FHAB COc1ccc(-c2cc(=O)c3cc(OCC(=O)OC(C)C)ccc3o2)cc1 955685 KPRDWQCFDLOFIE-UHFFFAOYSA-N 368.385 3.799 0 40 FHAB CCCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1C(C)C 1364240 BSDUJMQLFHELJD-UHFFFAOYSA-N 361.515 3.608 0 40 FHAB Cc1cccc(Cn2nc(C)cc2NC(=O)COc2ccc(F)cc2)c1 1431348 WRIPBGDDDAZZIG-UHFFFAOYSA-N 353.397 3.705 0 40 FHAB COC(=O)[C@H](C)n1cnc2scc(-c3ccc(OC(C)C)cc3)c2c1=O 1784773 IYAJTSSBNLUWPB-LBPRGKRZSA-N 372.446 3.646 0 40 FHAB CCN(CC)CCCNCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 2649458 SAFMZKGYJQZKFU-UHFFFAOYSA-N 365.827 3.619 0 40 FHAB Cc1cccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)c1O 3300830 HSEDHDCPINZEQG-UHFFFAOYSA-N 354.189 3.803 0 40 FHAB Cc1cccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c1C 3327471 JGJONKWJRNJHBS-UHFFFAOYSA-N 351.855 3.759 0 40 FHAB O=C1COc2ccc(C(=O)COc3cc(Cl)ccc3Cl)cc2N1 3572870 GVNVOTRFHPPPBE-UHFFFAOYSA-N 352.173 3.586 0 40 FHAB COc1ccc(C(=O)Nc2ccc([S@@](=O)Nc3nccs3)cc2)cc1 3958972 CLPRRCYBSYFGND-VWLOTQADSA-N 373.459 3.539 0 40 FHAB C[C@H]1CCCC[C@@]12NC(=O)N(Cc1csc(-c3ccccc3)n1)C2=O 4308748 XMHGNKNXBLTVSA-ORAYPTAESA-N 355.463 3.811 0 40 FHAB CCOc1ccc(NC(=O)CSc2ccc(-c3ccncc3)nn2)cc1 4391934 BPITUUIFLJSCIC-UHFFFAOYSA-N 366.446 3.668 0 40 FHAB Cc1csc(SCc2cc(=O)c(OC(=O)c3ccccc3)co2)n1 4518813 LDKBOOBDUNNODE-UHFFFAOYSA-N 359.428 3.916 0 40 FHAB CCCN1C(=O)S/C(=C\c2cccn2-c2cccc(C(=O)O)c2)C1=O 4688006 UOCMGCYMTJLZCC-PTNGSMBKSA-N 356.403 3.622 0 40 FHAB O=C(O)CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1 4726509 CAEZYMRXMHXIFU-UHFFFAOYSA-N 359.425 3.960 0 40 FHAB Cc1ccccc1NC(=S)N1[C@H]2CCC[C@@H]1CC(NC(=O)C1CC1)C2 4857425 XLYLAVNIFGEZHC-ALOPSCKCSA-N 357.523 3.604 0 40 FHAB Cc1ccc(CNC(=O)C2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1 4965523 PUZSHQLPXPYBCB-UHFFFAOYSA-N 365.477 3.864 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 4976863 HKIYPFPXZFGTNF-INIZCTEOSA-N 352.434 3.612 0 40 FHAB Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NC(=O)C(C)(C)C)c1 5259051 DWRMEPQERPAFHF-UHFFFAOYSA-N 353.397 3.818 0 40 FHAB COc1ccc(CN(C)[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)cc1 5261975 YKVYEYFYNDRIIA-IIBYNOLFSA-N 352.478 3.709 0 40 FHAB O=C(CSc1ccc2ccccc2n1)N1CCN(c2ccccc2)CC1 5626853 VIFXXVIAZKXAGN-UHFFFAOYSA-N 363.486 3.676 0 40 FHAB Clc1cc(Cl)c(OCc2nc3c4cn[nH]c4ncn3n2)c(Cl)c1 6828435 RWFKLKLZAXQMKK-UHFFFAOYSA-N 369.599 3.540 0 40 FHAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CCOc1ccccc1Cl)C2=O 7004241 RXCZVBUCMBUYPA-BFUOFWGJSA-N 364.873 3.856 0 40 FHAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1cc(Cl)ccc1Cl 7046665 XTSDTYGMAFZTIZ-UHFFFAOYSA-N 369.248 3.641 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1C 7050206 MBTMXJCERJQXAR-MRXNPFEDSA-N 355.463 3.529 0 40 FHAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2Cl)C1=O 7078144 BXQANRHGMCSTAH-XNFYSYIQSA-N 353.827 3.718 0 40 FHAB COc1ccc(C(=O)O[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)c(O)c1 7396686 JEHVUPGGHNJNJY-GFCCVEGCSA-N 353.374 3.619 0 40 FHAB COc1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 7408897 ZWAOIQCRZGTOOM-UHFFFAOYSA-N 368.414 3.729 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2c(C)noc2C(C)C)c1C 7825684 LRALEYVNGYNHQR-ZDUSSCGKSA-N 360.410 3.682 0 40 FHAB COc1cc(C(=O)Nc2cccc(NC(C)=O)c2)ccc1OCC(C)C 8129034 KDVXLPXYELJAQF-UHFFFAOYSA-N 356.422 3.941 0 40 FHAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)CC2=O)c1 8247804 CPWHGBNQQHSSJW-ZDUSSCGKSA-N 358.825 3.649 0 40 FHAB COCc1cccc(C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)c1 8388813 KYCIADPWVIDXGM-UHFFFAOYSA-N 363.461 3.908 0 40 FHAB O=C(/C=C/C(=O)OCCCc1ccccc1)OCCCc1ccccc1 8722825 DWRDTESCPZZBBH-FOCLMDBBSA-N 352.430 3.895 0 40 FHAB Cc1cc(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)no1 8745742 SBCFFARYOIJJAB-UHFFFAOYSA-N 350.400 3.518 0 40 FHAB c1ccc(-c2cc3c(nc(NC[C@@H]4CCCO4)n4ncnc34)s2)cc1 8990728 RJFJIOFDGAPWDK-ZDUSSCGKSA-N 351.435 3.597 0 40 FHAB c1ccc(-n2ncc3c(NCCCn4cnc5ccccc54)ncnc32)cc1 9220908 CABZZEZJNGJFGS-UHFFFAOYSA-N 369.432 3.667 0 40 FHAB O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)NC1CCCC1 9388509 NXUCWEGUKBPBSN-CYBMUJFWSA-N 358.385 3.567 0 40 FHAB CC(=O)C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2c(C)ccc(C)c21 9872714 VIZGXLGUGRYTPG-HXUWFJFHSA-N 357.837 3.670 0 40 FHAB Cc1cc(C)cc(NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 10336642 JYGRGMKKXAYJJI-KRWDZBQOSA-N 374.506 3.713 0 40 FHAB Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 11095979 KBYVCRUBCVLGSK-UHFFFAOYSA-N 357.841 3.534 0 40 FHAB CCc1ccccc1NC(=O)CCCn1nc(-c2ccccc2)ccc1=O 11693283 DGYYQROGGPKLQA-UHFFFAOYSA-N 361.445 3.892 0 40 FHAB CN(C)CC1CCC2(CC1)CN(Cc1cccnc1)Cc1ccccc1O2 12088445 VHVASDKSLCWDAW-UHFFFAOYSA-N 365.521 3.967 0 40 FHAB O=C(CCc1ccccc1)N[C@H]1CCCc2nc(N3CCCCC3)ncc21 12255006 ZKGDTADXLZGXSL-IBGZPJMESA-N 364.493 3.593 0 40 FHAB Cn1ncc2c1CCc1sc(NC(=O)c3csc4c3CCCC4)nc1-2 12326986 SMKVBZUGYCXSHP-UHFFFAOYSA-N 370.503 3.835 0 40 FHAB CC[C@@H](Nc1ccc2c(c1)CCN2C(C)=O)C(=O)Nc1ccc(F)cc1 12562179 FUWPTDCGJFMLST-GOSISDBHSA-N 355.413 3.564 0 40 FHAB CC(=O)Nc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCC4)cc1 12574782 NMSLUDFJBBFACE-UHFFFAOYSA-N 371.487 3.947 0 40 FHAB O=C(Nc1nnc(-c2ccco2)s1)c1cccc(OC[C@H]2CCCO2)c1 12764178 ZDJQFPZEOLTVQH-CQSZACIVSA-N 371.418 3.608 0 40 FHAB O=C(Cn1c(=O)oc2ccccc21)N[C@@H]1CCSc2ccc(Cl)cc21 12984673 MVUOMWZVEMWCQC-CYBMUJFWSA-N 374.849 3.601 0 40 FHAB Cc1ccc2c(c1)C(=O)C[C@H]([C@@H]1CCCN(C(=O)c3ccc(C)o3)C1)O2 13227502 FYHZNSKRIIKNMS-FOIQADDNSA-N 353.418 3.783 0 40 FHAB Cc1nc2ccccn2c(=O)c1NC(=O)Nc1cc(Cl)ccc1Cl 13707564 LMVPFTGQZKUUON-UHFFFAOYSA-N 363.204 3.954 0 40 FHAB O=C(Cc1cccc2ccccc12)Nc1ccc(CC(=O)NC2CC2)cc1 13715947 LOVRUOYYZCBYEN-UHFFFAOYSA-N 358.441 3.842 0 40 FHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(C)s1 14015720 JIIUFZURESTICA-UHFFFAOYSA-N 361.854 3.609 0 40 FHAB CN(C)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 14167304 BZSVUQXETXDBQB-UHFFFAOYSA-N 374.419 3.988 0 40 FHAB COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1Cl 14245399 XMIVUAALWNJJNZ-GFCCVEGCSA-N 368.861 3.934 0 40 FHAB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2nccs2)cc1 14461955 WHKOWLSQIPTKPG-KBPBESRZSA-N 373.478 3.564 0 40 FHAB COc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 16030626 GZKDGUKKCSJSTO-INIZCTEOSA-N 360.413 3.840 0 40 FHAB COCc1nc2ccccc2n1C[C@@H](O)COc1cc(C)c(Cl)c(C)c1 16903751 NRBNOAAFCUBIQX-OAHLLOKOSA-N 374.868 3.893 0 40 FHAB Cc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4ccccc4)CC3=O)c2c1 18217658 RXKXSLBKWFSTJQ-KRWDZBQOSA-N 361.445 3.506 0 40 FHAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)c3cccs3)C2)n1 19286851 NLDXCDLBFIXWJC-MRXNPFEDSA-N 364.474 3.928 0 40 FHAB COc1ccc(OCc2nnc3sc(/C=C/c4ccccc4)nn23)cc1 19897318 NSMXJWRUYNTVDT-KPKJPENVSA-N 364.430 3.944 0 40 FHAB COc1ccc(C(=O)O)cc1NC(=O)c1cc2ccccc2cc1OC 20139164 PJJDEJRTPPIIFX-UHFFFAOYSA-N 351.358 3.808 0 40 FHAB COc1ccc(CCCNC(=O)[C@@H](C)Sc2ccc(OC)cc2)cc1 20450234 CJOKDYDAKGUJST-OAHLLOKOSA-N 359.491 3.933 0 40 FHAB O=c1[nH]c(=S)n(-c2ccc(Cl)cc2)c2c1CN(Cc1ccco1)CN2 20479667 QUOCOEVPSBUOTN-UHFFFAOYSA-N 374.853 3.527 0 40 FHAB O=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1CCCCCC1 20933910 ZSLWWDMUWPFOHT-UHFFFAOYSA-N 352.413 3.818 0 40 FHAB CCCCc1nnc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)s1 22742559 SWDDAXRBUXFABT-UHFFFAOYSA-N 370.434 3.978 0 40 FHAB CCC(CC)[C@H](CNC(=O)c1ccc2ccccc2c1)N1CCOCC1 22755262 GCWWVTBKVKEONY-NRFANRHFSA-N 354.494 3.707 0 40 FHAB Cc1cc(C(=O)N(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)on1 23732274 VRAQSMAGMWXCGE-UHFFFAOYSA-N 372.856 3.770 0 40 FHAB Cc1cc(C)c(NC(=O)CNC(=O)Cc2c(C)[nH]c3ccccc23)c(C)c1 24977723 XNHUYCJTLRIKKW-UHFFFAOYSA-N 363.461 3.699 0 40 FHAB COCCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1C(F)(F)F 25310009 XCUZEMIIBPZDDB-INIZCTEOSA-N 350.340 3.918 0 40 FHAB COc1cc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)cc(OC)c1OC 25534301 WBYVKBRNHBGCMD-INIZCTEOSA-N 359.397 3.829 0 40 FHAB COc1ccc2nc(C)c(C(=O)NC[C@H](c3ccsc3)N(C)C)cc2c1 25814036 IRDFBESCTHFLFU-LJQANCHMSA-N 369.490 3.646 0 40 FHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 26528909 FNUIKMLTDFEWLE-UHFFFAOYSA-N 353.827 3.544 0 40 FHAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc(C)ccn1 27645360 FLEFVEJAEFFTAZ-YJBOKZPZSA-N 355.438 3.670 0 40 FHAB CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@@H]1Cc2ccccc2O1 31089801 CGYXOTHFYHOWBF-INIZCTEOSA-N 351.324 3.547 0 40 FHAB O=C(Nc1ccccc1N1CCCCCC1)c1n[nH]c(=O)c2ccccc12 31096893 HLISYKIWAHIPNF-UHFFFAOYSA-N 362.433 3.556 0 40 FHAB Cc1nc(CSCCC(=O)Nc2ccc(N3CCCC3)nc2)cs1 32614659 QBIULKBUFFGMRW-UHFFFAOYSA-N 362.524 3.709 0 40 FHAB CC[C@@H](CNC(=O)COc1cccc(NC(=O)C2CC2)c1)c1ccccc1 32817975 BEHMKWONZVVXQV-INIZCTEOSA-N 366.461 3.724 0 40 FHAB O=C(CNC(=O)c1ccc(F)cc1F)Nc1ccc(SC(F)F)cc1 32901284 SUJZNCGIVYUAHT-UHFFFAOYSA-N 372.343 3.648 0 40 FHAB O=C(Cc1ccccc1Cl)NCc1ccc(OC[C@@H]2CCCO2)cc1 32930235 JIHSIXUWFFACJI-SFHVURJKSA-N 359.853 3.757 0 40 FHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)c1 38772852 KMSXHIJLYUFSCZ-ABSDTBQOSA-N 360.542 3.863 0 40 FHAB C[C@H](CCN1CCN(c2ccccc2)CC1)NC(=O)c1cccc(Cl)c1 40092543 CNXKRUWGYNLNDA-QGZVFWFLSA-N 371.912 3.671 0 40 FHAB Cc1nnc(NC(=O)c2ccccc2SCc2c(C)noc2C)s1 44568461 LUGRHYVSDSOSOV-UHFFFAOYSA-N 360.464 3.996 0 40 FHAB COc1ccc([C@H](C)NC(=O)c2cc3cccc(OC)c3o2)cc1OC 44844071 AEOSMHHJQNJAGF-LBPRGKRZSA-N 355.390 3.950 0 40 FHAB C[C@H](NS(=O)(=O)c1ccccc1Cl)c1cccc(OC(F)F)c1 46035880 JNAKSGSEYYAHOW-JTQLQIEISA-N 361.797 3.981 0 40 FHAB Cc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc(C)c(Cl)c3)[nH]2)cc1 49006610 SSNYYMIWXZFIAK-UHFFFAOYSA-N 355.825 3.752 0 40 FHAB COc1ccc2cc(C(=O)NC[C@H](Cc3ccccc3)N(C)C)ccc2c1 49611682 IWGAOJNLNOAIJT-NRFANRHFSA-N 362.473 3.751 0 40 FHAB CN(C)Cc1cccc(NC(=O)[C@H]2CC(c3ccc(Cl)s3)=NO2)c1 55308281 KXFLNYOSYWVWEC-CQSZACIVSA-N 363.870 3.595 0 40 FHAB COc1ccccc1N1CCN([C@H](C)c2nnc(-c3cccs3)o2)CC1 57452140 OOHPUEPBSRSSHQ-CQSZACIVSA-N 370.478 3.690 0 40 FHAB CC(C)[C@@H](NC(=O)CN1C(=O)CSc2ccccc21)c1ccccc1 57908343 ZTTKFBNJDUMDOT-HXUWFJFHSA-N 354.475 3.639 0 40 FHAB CS(=O)(=O)Nc1cccc2c1CCCN2Cc1c(F)cccc1Cl 59258457 MLUWGJWAQSYJGD-UHFFFAOYSA-N 368.861 3.803 0 40 FHAB CSc1nc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)cc2s1 59478023 ZUZVWPHCLDXJAK-MNOVXSKESA-N 350.465 3.848 0 40 FHAB CCc1ccc2oc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(C)c2c1 62714982 XJTGZWFZWQTTGU-KRWDZBQOSA-N 351.402 3.729 0 40 FHAB CCOc1ccccc1OC1CCN(C(=O)c2c[nH]c3ncccc23)CC1 65865197 DQMDBXUMDKRRJO-UHFFFAOYSA-N 365.433 3.645 0 40 FHAB O=C(N[C@@H]1CCCc2c1cnn2-c1ccccn1)[C@H]1C[C@H]1c1ccccc1 71195687 RHHXNHGQVFCMPF-JENIJYKNSA-N 358.445 3.565 0 40 FHAB C[C@@H](c1ccccn1)N1CCN(C(=O)[C@H](C)Cc2ccccc2Cl)CC1 95943193 RDEZBZSFHJSBHJ-SJORKVTESA-N 371.912 3.819 0 40 FHAB Cc1cc(S(=O)(=O)n2c(C)nc3ccccc32)ccc1Br 95945904 KISXQCPBRLYZRJ-UHFFFAOYSA-N 365.252 3.653 0 40 FHAB CS(=O)(=O)Nc1ccc(CN(Cc2ccco2)c2ccccc2)cc1 95957566 OYWPYSCUXLJQII-UHFFFAOYSA-N 356.447 3.858 0 40 FHAB COc1cccc(-c2cc(NS(=O)(=O)/C=C/c3ccccc3)n(C)n2)c1 95977585 LRIQOFGBGMUDLJ-VAWYXSNFSA-N 369.446 3.508 0 40 FHAB N[C@H](Cc1c[nH]c2ccccc12)CN1CCN(c2cccc(Cl)c2)CC1 96319022 XAFYLTJHCCSKRP-GOSISDBHSA-N 368.912 3.513 0 40 FHAB CCc1nc(C(=O)NCc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)co1 97108249 JMCKFGDIEPXWLU-CYBMUJFWSA-N 373.453 3.753 0 40 FHAB CNC(=O)c1ccc(Cl)c(NCC(=O)Nc2cc(Cl)ccc2F)c1 97543717 WRYTVQRPEDUDCE-UHFFFAOYSA-N 370.211 3.543 0 40 FHAB CCN1c2cc(C(=O)Nc3cccc(F)c3)ccc2C(=O)N2CCCC[C@@H]21 97944086 RQQSNCIFZZJSHJ-LJQANCHMSA-N 367.424 3.870 0 40 FHAB Cc1ccccc1C(=O)NC1CCN(c2cc(-c3cccs3)n[nH]2)CC1 98212809 IFUVMVXVKYWKBX-UHFFFAOYSA-N 366.490 3.845 0 40 FHAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCC2)CC1 100750083 FEVHNONTNYZWSG-XQBPLPMBSA-N 371.525 3.762 0 40 FHAB COC(=O)c1ccc2c(c1)[C@H]1C[C@](C)(O2)N(c2ccc(C)c(F)c2)C(=O)N1 101085158 UNWLFZPGEUNYCD-UZLBHIALSA-N 370.380 3.690 0 40 FHAB Cc1nc(-c2cccc(NC(=O)Cc3ccccc3C(F)(F)F)c2)n[nH]1 104287443 YRTYBEAZUGRCNI-UHFFFAOYSA-N 360.339 3.980 0 40 FHAB CCOc1ccccc1CNC(=O)c1ccc(Cn2nc(C)cc2C)cc1 149904544 UOFZNVHMRQNKCQ-UHFFFAOYSA-N 363.461 3.877 0 40 FHAB O=C(N1CC(Oc2nccs2)C1)C1(c2ccc(Cl)cc2)CCCC1 208030701 IFTRWUCRXNOHGF-UHFFFAOYSA-N 362.882 3.898 0 40 FHAB Cc1ccc(C)c(OCC(=O)NCc2nc(-c3ccccc3Cl)no2)c1 218952815 WZIQHTCUIIWYLD-UHFFFAOYSA-N 371.824 3.702 0 40 FHAB COc1ccc(CNC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)cc1 222601337 YEOHSBCKNVSTRP-UHFFFAOYSA-N 353.809 3.736 0 40 FHAB Cc1ccccc1CN1CCC(C(=O)NCCOc2ccccc2C)CC1 224526723 GFEJCNSPRYDXKN-UHFFFAOYSA-N 366.505 3.711 0 40 FHAB C[C@@H](CNC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1 224552851 CEDWAHGGSDNIFK-KRWDZBQOSA-N 354.469 3.958 0 40 FHAB COc1ccc(C(=O)NCc2cccc(CN3CCCCC3)c2)cc1F 224703279 GDEBFBIYWMISPK-UHFFFAOYSA-N 356.441 3.750 0 40 FHAB COc1cccc(OCCNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1 225152835 INLBDLGNPPAZMJ-INIZCTEOSA-N 369.461 3.537 0 40 FHAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc21 225686846 RSXDZPGFSQXOKG-UHFFFAOYSA-N 368.867 3.537 0 40 FHAB O=C(NC[C@@H](c1ccco1)N1CCSCC1)c1ccc(Cl)s1 253406506 UQWXFEKCASYFLI-NSHDSACASA-N 356.900 3.514 0 40 FHAB CCc1ccc(-n2nc(C(=O)O)c(N3CC[C@H](c4ccccc4)C3)n2)cc1 256048714 VPYCONHFQXTZNV-KRWDZBQOSA-N 362.433 3.522 0 40 FHAB O=C(c1cnco1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257200246 ACOKVNNOHHTPOG-MRXNPFEDSA-N 355.369 3.760 0 40 FHAB CO[C@@]1(C)CCCN(C(=O)NCc2c(F)cccc2OC(F)F)CC1 280210461 IDWFKBCEBGZQJO-KRWDZBQOSA-N 360.376 3.528 0 40 FHAB Cc1nn(-c2ccccn2)c(C)c1/C=C/c1ncc(C(=O)O)c(C(C)C)n1 282976003 LKNTYHHJJFVONZ-CMDGGOBGSA-N 363.421 3.666 0 40 FHAB O=C(NCCCCc1ccccc1)C(=O)Nc1ccccc1C(F)(F)F 408709605 UYJKHWPUJSRIFR-UHFFFAOYSA-N 364.367 3.783 0 40 FHAB CC(C)(C)c1csc(CN=c2[nH]c(-c3cccnc3)nc3c2CCC3)n1 532269373 ZISQSSMJTWSTHP-UHFFFAOYSA-N 365.506 3.815 0 40 FHAB Cc1nn(CCNC(=O)c2ccc3ncsc3c2)c(C)c1-c1ccco1 575616083 VXRAXMQRTVMBPV-UHFFFAOYSA-N 366.446 3.800 0 40 FHAB COc1ccc(-c2nc(CSc3nnc4n3CCCCC4)co2)cc1 42688532 OIHRHYBGJOVPIG-UHFFFAOYSA-N 356.451 3.960 0 40 FHAB O=C(CCCc1cccs1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 23879853 HTSQVHAFPPDEBA-MRXNPFEDSA-N 372.538 3.795 0 40 FHAB COc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)n2)cc1 1003147 HMYHUDKAKYRGNH-KGLIPLIRSA-N 360.435 3.648 0 40 FHAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1nc(-c2ccccc2)no1 78582284 WGWDQEXLCMCNFV-QGZVFWFLSA-N 365.433 3.827 0 40 FHAB COC(=O)c1csc(NC(=O)CCc2cc(Br)cs2)c1 79107835 BHVDROFBISMDJY-UHFFFAOYSA-N 374.281 3.930 0 40 FHAB CC(C)Cc1cc(-c2nnc3sc(-c4cccc(F)c4F)nn23)n(C)n1 79486102 JPSFKSOHBQWXDZ-UHFFFAOYSA-N 374.420 3.730 0 40 FHAB CCOC(=O)c1c(NC(=O)CN(C)Cc2ccccc2)sc(C)c1C 1930776 WAMGVADYBYSQBX-UHFFFAOYSA-N 360.479 3.612 0 40 FHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(C)c2C)ccc1C 3452727 IQFYWBMBPGDPRJ-UHFFFAOYSA-N 374.506 3.895 0 40 FHAB Cc1cccc(C)c1NC(=O)CSc1nc2scc(C)c2c(=O)[nH]1 4911521 SNOMSLLMJNEBNP-UHFFFAOYSA-N 359.476 3.641 0 40 FHAB CC(C)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 6375497 NNIZJVYCMCSEBP-UHFFFAOYSA-N 372.490 3.847 0 40 FHAB CCOC(=O)C1CCN([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)CC1 7663663 UBUKVKXKRSDVSR-GFCCVEGCSA-N 363.845 3.726 0 40 FHAB O=C(C[C@H](Cc1ccccc1)C(=O)O)Nc1ccc(OC(F)(F)F)cc1 35141654 ALEYKTIJKNGMHX-ZDUSSCGKSA-N 367.323 3.857 0 40 FHAB CCn1c(CCc2ccccc2)nnc1SCC(=O)N(C(C)C)C(C)C 8089981 DZQNIHCZLUZEDH-UHFFFAOYSA-N 374.554 3.821 0 40 FHAB COC(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1 8132852 CKBJCZYQKFNDPC-LLVKDONJSA-N 374.849 3.693 0 40 FHAB Cc1ccc(N(CCCC(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)cc1 8480514 XQGHPFICACXXNL-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB Cc1ccc2nc(COC(=O)c3ccc(OC[C@H]4CCCO4)cc3)cn2c1 8481714 QJYCBRZDTXVMJT-LJQANCHMSA-N 366.417 3.558 0 40 FHAB O=C(CN[C@@H]1CCCc2ccccc21)Nc1ccc2c(c1)OC(F)(F)O2 3289415 WVLIKYMRAWIJMG-OAHLLOKOSA-N 360.360 3.614 0 40 FHAB O=C(Nc1cccnc1N1CCCC1)c1csc(Cc2ccccc2)n1 44542373 BJUDVPMBQYJELU-UHFFFAOYSA-N 364.474 3.981 0 40 FHAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc2ccccc2cc1O 27333891 DXXJAWQSDLHVMO-GOSISDBHSA-N 350.418 3.705 0 40 FHAB O=C(COC(=O)c1ccccc1C(F)(F)F)NCc1ccc(Cl)cc1 3271036 OYDSRAGWPNWGIB-UHFFFAOYSA-N 371.742 3.832 0 40 FHAB C[C@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc2c(c1)CCCC2 109416317 XKXVCQXSHRSOOP-KRWDZBQOSA-N 364.489 3.893 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2OC(F)F)cc1C 28054954 ZROINOPNUAWSEN-ZDUSSCGKSA-N 355.406 3.944 0 40 FHAB COCc1ccccc1NC(=O)Cn1c(-c2ccc(C)cc2)n[nH]c1=S 58433113 YYEJKBDJWXQLHK-UHFFFAOYSA-N 368.462 3.701 0 40 FHAB CN(Cc1ccccc1)C(=O)COC(=O)c1cc(Cl)cc(Cl)c1 3271086 KDEDXXWWZPRVJH-UHFFFAOYSA-N 352.217 3.809 0 40 FHAB CC[C@H]1CCc2sc(-c3nnc(S[C@@H](C)C(=O)OC)n3C)cc2C1 10830322 OLELZENHQSLKRE-QWRGUYRKSA-N 365.524 3.712 0 40 FHAB O=C(CSc1ccccc1)Nc1ccc(CSc2ncn[nH]2)cc1 20611358 XCHMCMNTJMWCCX-UHFFFAOYSA-N 356.476 3.828 0 40 FHAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NCCC3=CCCCC3)ccc12 2630131 ZKROPJSZXBIJHG-OAHLLOKOSA-N 355.434 3.875 0 40 FHAB O=C(/C=C/c1ccc2c(c1)OCO2)OCC(=O)c1ccc(Cl)s1 2649996 VLUIGHXBVQXVED-QHHAFSJGSA-N 350.779 3.570 0 40 FHAB CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1cnc2ccccc2n1 46717659 OPJVEXQEXIRHNZ-UHFFFAOYSA-N 368.824 3.674 0 40 FHAB Cc1cnn(-c2ccc(C(=O)Nc3cccc(-c4ccc(O)nn4)c3)cc2)c1 61459353 GGRQHOIWASQEJI-UHFFFAOYSA-N 371.400 3.596 0 40 FHAB CCCn1cc(/C=C2\SC(=O)N(CC(=O)OCC)C2=O)c2ccccc21 106742198 LAANBLPIGSNHOO-YBEGLDIGSA-N 372.446 3.651 0 40 FHAB Cc1c(C(=O)NCc2nnc3n2CCCCC3)oc2ccc(Cl)cc12 48279811 DBHHODCEFKFSQQ-UHFFFAOYSA-N 358.829 3.643 0 40 FHAB COc1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1 106757657 LPKHOZDYKUXLEN-LGMDPLHJSA-N 355.415 3.811 0 40 FHAB C[C@@H](c1ccc(F)cc1)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 12788720 DGIKYGAJVRAVDP-GJZGRUSLSA-N 369.440 3.582 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(Br)cc1F 10408801 OYHJUKWEIIUGFX-UHFFFAOYSA-N 366.186 3.888 0 40 FHAB COCc1cccc(C(=O)NCCc2ccc(F)c(Br)c2)c1 48369240 OKVUZZDXXUOEMJ-UHFFFAOYSA-N 366.230 3.707 0 40 FHAB COc1ccc([C@@H](NC(=O)CCCNC(=O)c2ccsc2)C(C)C)cc1 12878382 IQINEXJMOATXCQ-IBGZPJMESA-N 374.506 3.780 0 40 FHAB COc1ccc(-c2cc(CSc3nc(CC(=O)O)cs3)on2)cc1 12945943 KEGMQSVUWVBRHE-UHFFFAOYSA-N 362.432 3.726 0 40 FHAB Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)cc1 13007006 UZVKQXDLVNEKLR-UHFFFAOYSA-N 350.462 3.717 0 40 FHAB C[C@H](OC(=O)/C=C/c1ccccc1F)C(=O)N1CCCc2ccccc21 13103959 XRIPJEMCYCPOLA-LHNRBYRGSA-N 353.393 3.750 0 40 FHAB COCc1nc2ccccc2c(C)c1C(=O)OCC(=O)c1cc(C)[nH]c1C 39548253 CIPDFOAPCBTIQZ-UHFFFAOYSA-N 366.417 3.674 0 40 FHAB COc1ccc2c(C)c(CCC(=O)Nc3cccc(F)c3)c(=O)oc2c1 14092926 IDJXHHLSHMVMLC-UHFFFAOYSA-N 355.365 3.820 0 40 FHAB COc1ccc(-c2cc(COC(=O)c3ccc(OC)c(OC)c3)on2)cc1 14251834 LZFUSLVNXULKIT-UHFFFAOYSA-N 369.373 3.724 0 40 FHAB CCCNC(=O)CN(C)c1nc(C)nc2scc(-c3ccccc3)c12 6602772 XQOYUEMZXKXPIE-UHFFFAOYSA-N 354.479 3.629 0 40 FHAB Cc1cnc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)s1 14661796 BENDDVZPQRRQCS-UHFFFAOYSA-N 363.870 3.596 0 40 FHAB CC(=O)Nc1ccc(CC(=O)Nc2nnc(C3CCCCC3)s2)cc1 9366554 POBOEMYMIZEDHR-UHFFFAOYSA-N 358.467 3.725 0 40 FHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cccc(N(C)C)c1 5694116 RLZXRCQTYAJKDQ-ATZDWAIDSA-N 361.482 3.913 0 40 FHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cccc(N(C)C)c1 5694125 RLZXRCQTYAJKDQ-AYOQOUSVSA-N 361.482 3.913 0 40 FHAB O=C(O[C@H]1CCOC1=O)c1ccccc1CSc1nc2ccccc2o1 5803648 LBAMOPDMDREQKQ-INIZCTEOSA-N 369.398 3.592 0 40 FHAB C[C@@H]([C@H](O)c1ccccc1)N(C)S(=O)(=O)c1ccc2ccccc2c1 4931820 UGDOTBUQVPPZOK-YWZLYKJASA-N 355.459 3.582 0 40 FHAB O=C(O)CSc1ccc(NC(=S)NCCCc2ccccc2)cc1 408585073 BXIFJLHGJHRDBQ-UHFFFAOYSA-N 360.504 3.783 0 40 FHAB CCN(C(=O)[C@@H](C)Nc1cc(NC(C)=O)ccc1OC)c1ccccc1 7057970 OXAOXKOTWYOGIR-CQSZACIVSA-N 355.438 3.507 0 40 FHAB Cc1cccc([C@@H]2CC(=O)c3cnc4[nH]n(-c5ccccc5)c(=O)c4c3C2)c1 9484162 ZVLMUJAXKVPPPN-INIZCTEOSA-N 369.424 3.935 0 40 FHAB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1c(F)cccc1Cl 7552474 BDIWAUDGERHJTD-OAHLLOKOSA-N 352.793 3.545 0 40 FHAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc2c(c1)CCC2 7737650 XALUEBRBYDQQHV-UHFFFAOYSA-N 351.406 3.871 0 40 FHAB Cc1ccc(NC(=O)CN(C)C(=O)Cc2coc3c(C)c(C)ccc23)cc1 16594354 LVVYTWLFHTUMKV-UHFFFAOYSA-N 364.445 3.998 0 40 FHAB Cc1ccc(-c2nnc3n2N=C(c2cccs2)[C@@H](CC(=O)O)S3)cc1 8391849 ZXMMFWWDIMGSEB-CYBMUJFWSA-N 370.459 3.516 0 40 FHAB COC(=O)c1c(NC(=S)Nc2ccc(O)cc2C)sc2c1CCC2 17074610 UCWIWGPWVSEXFK-UHFFFAOYSA-N 362.476 3.846 0 40 FHAB Brc1ccc([C@H]2C[C@H](c3ccccc3)Nc3nnnn32)cc1 8518762 HOPJMXGWSCILBZ-HUUCEWRRSA-N 356.227 3.582 0 40 FHAB CC(C)c1nn2c(=O)c(NC(=O)c3ccc(C(C)(C)C)cc3)cnc2s1 9615197 FRRCTPBPXGHLAE-UHFFFAOYSA-N 370.478 3.824 0 40 FHAB CCCN(C)C[C@H]1CCN(CCC(=O)Nc2cccc3ccccc23)C1 72308821 DXSSDAKQZKAAGY-GOSISDBHSA-N 353.510 3.832 0 40 FHAB CC(=O)Nc1ccc(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 95347292 FHTRFVQYZRTRQI-UHFFFAOYSA-N 358.341 3.682 0 40 FHAB Cc1[nH]ncc1CCCN[C@@H]1CCCOc2c(Br)cccc21 95967262 CVOIYUSMIQNESP-MRXNPFEDSA-N 364.287 3.917 0 40 FHAB C[C@H]1CN(c2ccc(C(=O)NCC3CCCCCCC3)cn2)C[C@H](C)O1 95953776 KTYXNJGKNKFKMC-IRXDYDNUSA-N 359.514 3.786 0 40 FHAB CN(C)C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 89312068 VFGRMXSJLTWEPT-UHFFFAOYSA-N 357.763 3.735 0 40 FHAB CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(-n2cncn2)c(F)c1 76041451 PDONKIPXRNNJGR-HNNXBMFYSA-N 352.413 3.847 0 40 FHAB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(Cl)c1O[C@H](C)CC 409250544 QZICVNBNTNQKDB-ZECSTPGPSA-N 366.845 3.829 0 40 FHAB COc1cccc(C2CCN(C(=O)c3cc(O)nc(C(C)C)c3)CC2)c1 181012007 YPWFFMBUSFHMBP-UHFFFAOYSA-N 354.450 3.939 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 219329074 HNZLFHXXIWWHLK-QGZVFWFLSA-N 369.396 3.692 0 40 FHAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1c2c(nn1-c1ccccc1)CCC2 122380398 CTVHSXPOPHHXGV-LJQANCHMSA-N 373.412 3.601 0 40 FHAB CNc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c(C)n1 72219138 YFVFTZQPCDPSHK-GOSISDBHSA-N 359.495 3.656 0 40 FHAB Cc1ccc(C2=NO[C@H](CC3(C(=O)O)CCN(CC(C)C)CC3)C2)cc1 72389733 QBEROJFEABMQJI-SFHVURJKSA-N 358.482 3.701 0 40 FHAB Cc1cc(N)c2oc(-c3ccc(I)cc3)nc2c1 70461429 SEVFFNZZEWOXHQ-UHFFFAOYSA-N 350.159 3.990 0 40 FHAB Cc1nccn1Cc1ccc(C(=O)NCCCOC2CCCCC2)cc1 44851169 COFDREIPFCNIEG-UHFFFAOYSA-N 355.482 3.709 0 40 FHAB O=C(NC[C@]1(O)CCc2ccccc21)C1c2ccccc2Oc2ccccc21 77184923 CUKQEQNZZPQCCG-XMMPIXPASA-N 371.436 3.874 0 40 FHAB Cc1cc(OCC(=O)Nc2ccc(Cl)cc2)nc(N2CCC[C@H](C)C2)n1 44168802 BSSIIVGTEYWRLV-ZDUSSCGKSA-N 374.872 3.692 0 40 FHAB O=C(c1ccc(-n2cccc2)cc1)N1CC[C@@H](N2CCc3ccccc3C2)C1 225686429 BMHNMPJCQOWJBC-HSZRJFAPSA-N 371.484 3.750 0 40 FHAB O=C(O)c1cc(Br)ccc1NC(=S)NC1CCCCC1 226346059 RLZKVGLMMZJHDW-UHFFFAOYSA-N 357.273 3.766 0 40 FHAB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1cccc(Cl)c1)CC3 97993525 MJEFMZTXJPHJAM-WQLSENKSSA-N 352.777 3.692 0 40 FHAB O=C(/C=C/c1ccccc1)NC[C@](O)(c1ccsc1)c1cccs1 253396120 DCVCCAVUIOPEGE-SGQUHAKNSA-N 355.484 3.875 0 40 FHAB O=C(c1cncs1)N1CCC[C@H](c2ncc(Cc3ccccc3F)o2)C1 257205920 BBBKWLALEMNBBG-AWEZNQCLSA-N 371.437 3.881 0 40 FHAB CN(Cc1coc(-c2cccs2)n1)[C@@H]1CCN(c2ccccc2)C1=O 109815483 LJULIMXUNYKQMP-MRXNPFEDSA-N 353.447 3.640 0 40 FHAB O=C(Nc1nc([C@H]2CCCN2Cc2cn[nH]c2)cs1)c1ccc(F)cc1 585294467 GBIMCLYSLCJVSF-MRXNPFEDSA-N 371.441 3.595 0 40 FHAB O=C(NCc1csc(-c2ccccc2)n1)N1CC[C@]2(CCCOC2)C1 671209259 UOOZSMBYRIKXDG-LJQANCHMSA-N 357.479 3.522 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCCC[C@H]2c2cccn2C)c1C 71796180 NFYDHASZNYUHGJ-KRWDZBQOSA-N 371.481 3.904 0 40 FHAB O=C(NCc1ccc(-c2ccccc2)cc1F)N1CCC(O)(C2CC2)CC1 952853131 QRRIPHHYRAOCAN-UHFFFAOYSA-N 368.452 3.939 0 40 FHAB CCCCCOc1ccc(CN2C(=O)C(=O)c3ccccc32)cc1OC 11612341 XDUOSGWOHFENBD-UHFFFAOYSA-N 353.418 3.994 0 40 FHAB COc1ccc(-c2cc(CNC(=O)c3ccc(C)c(C)c3)no2)cc1OC 12638482 ZRUSITXFLFKQCZ-UHFFFAOYSA-N 366.417 3.906 0 40 FHAB COc1ccc(/C=C\C(=O)NCc2cc(-c3cccs3)on2)cc1OC 12725356 AHTOCJMCZUDHSO-VURMDHGXSA-N 370.430 3.750 0 40 FHAB CC(C)N1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccccc3)[C@H]2C1=O 17991378 SCJYZGKOFOCAKS-SQNIBIBYSA-N 370.836 3.595 0 40 FHAB Cc1ccc(CC(=O)N[C@@H]2CCCc3nc(-c4cccnc4)ncc32)cc1 19209972 KSXKUPKBYYGOKA-LJQANCHMSA-N 358.445 3.583 0 40 FHAB COc1cc2c(cc1OC)[C@@H](c1cccnc1)N[C@@H](c1ccc(C)cn1)C2 19216095 LJJRXPJDTNICKL-DENIHFKCSA-N 361.445 3.779 0 40 FHAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)[C@@H]3CCCO3)c2)cc1 19691350 VBEYWFIVBYMFCK-SFTDATJTSA-N 366.461 3.908 0 40 FHAB COc1ccc(/C=C/C(=O)OCc2cc(=O)oc3cc(C)ccc23)cc1 3317054 VWQHNYGILADHRI-UXBLZVDNSA-N 350.370 3.867 0 40 FHAB O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)CCC2 3375434 UZWRXTXTNSKEST-UHFFFAOYSA-N 356.853 3.977 0 40 FHAB O=C(Nc1ccncc1)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 10892135 HDXDKXSLUFKGMM-UHFFFAOYSA-N 365.393 3.782 0 40 FHAB CN(CC(=O)NCCSc1ccccc1)[C@H]1CCCc2ccccc21 16694379 MEWHCRUJVVKIFH-FQEVSTJZSA-N 354.519 3.904 0 40 FHAB O=S(=O)(Nc1ccccc1OC(F)(F)F)c1ccc2c(c1)CCC2 16730597 PZRCVPLJNKGTMX-UHFFFAOYSA-N 357.353 3.875 0 40 FHAB Cc1ccccc1C(=O)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037912012 BLMITILKFXETNH-OAQYLSRUSA-N 357.425 3.570 0 40 FHAB O=S(=O)(NC[C@@H](c1ccsc1)N1CCCCCC1)c1cccs1 8901133 FQPHEMDHEHXTMQ-HNNXBMFYSA-N 370.565 3.705 0 40 FHAB CN(C)c1ccc(CCNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 11693668 HHPBSCDNXMVALS-UHFFFAOYSA-N 373.305 3.580 0 40 FHAB Cc1ccc(-n2ncc3c(C)nn(Cc4cccc(F)c4)c(=O)c32)c(C)c1 12228736 WWDQLDYMLVIVSL-UHFFFAOYSA-N 362.408 3.695 0 40 FHAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)o1)c1cc2ccccc2[nH]1 1775967654 ZMQQQRAZYASYHJ-OAHLLOKOSA-N 352.415 3.953 0 40 FHAB O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1ccccc1Cl 207998136 YHIYKORGOGKHAC-AWEZNQCLSA-N 369.808 3.629 0 40 FHAB Cc1nc2sc([C@@H](c3ccccc3F)N3CCC(C)CC3)c(O)n2n1 22626146 TXKXBSXBEXKJGY-OAHLLOKOSA-N 360.458 3.765 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 40039818 KIZCUYPEPGJKAH-KBPBESRZSA-N 373.371 3.514 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(c2ncccc2Cl)C1 40134916 VCWXTNQGTRXWQH-HOCLYGCPSA-N 355.869 3.929 0 40 FHAB COc1cccc(CNC[C@](O)(c2ccccc2)c2ccc(F)cc2)c1 20365982 LRIMENLXBBPYBL-QFIPXVFZSA-N 351.421 3.860 0 40 FHAB O=C(COC(=O)c1ccc(Cl)cc1)NCc1ccc(F)c(Cl)c1 51356304 CUVIIQCGSDFKME-UHFFFAOYSA-N 356.180 3.606 0 40 FHAB O=C(Oc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1)c1cccs1 102088969 GNWACBUFBASGMC-SYWGBEHUSA-N 367.426 3.503 0 40 FHAB Cc1ccccc1-c1noc(C[S@@](=O)Cc2cc(-c3ccco3)on2)n1 32801546 VCRJRIGBBGDPQV-AREMUKBSSA-N 369.402 3.742 0 40 FHAB CCCn1c(O)nnc1S[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 32901507 TURNYDOALUPDCE-JTQLQIEISA-N 363.418 3.745 0 40 FHAB O=C(NC1CCN(c2ccccn2)CC1)c1cc2cc(F)ccc2s1 32930281 QYZJEWBSEWMOEW-UHFFFAOYSA-N 355.438 3.834 0 40 FHAB C[C@H](OC(=O)c1cccs1)C(=O)N(C)Cc1nc2ccccc2s1 22737426 RWTGXBYNAYPVND-NSHDSACASA-N 360.460 3.562 0 40 FHAB Cc1cc(-n2c(C)cc(CN[C@H]3CCN(Cc4ccccc4)C3)c2C)no1 22804370 BKZJZTWPEDPPRN-NRFANRHFSA-N 364.493 3.755 0 40 FHAB O=C(NC(=S)Nc1ccc(Cc2ccncc2)cc1)c1ccccc1F 892893 ZUGRSAHDXIMZBG-UHFFFAOYSA-N 365.433 3.938 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)C(C)(C)Oc1ccc(F)cc1 23124053 GLODLMFBWRUCKU-UHFFFAOYSA-N 360.385 3.589 0 40 FHAB Cc1cc(=O)c(C(=O)N[C@@H]2CCCC[C@H]2C)nn1-c1ccccc1Cl 23325023 FAXVNTHMQBDEIA-IUODEOHRSA-N 359.857 3.503 0 40 FHAB N[C@H](CCCCCC[C@@H](N)C(=O)c1ccccc1)C(=O)c1ccccc1 1608383 JNYOLDUBIHISNF-WOJBJXKFSA-N 352.478 3.747 0 40 FHAB COCCOc1cc(NC(=O)c2csc(-c3ccco3)n2)ccc1OC 24939898 CBAQBDDASJVMBU-UHFFFAOYSA-N 374.418 3.689 0 40 FHAB O=C1CC2(CCN(C(=O)c3cccc(Cl)c3)CC2)Oc2ccccc21 4505514 HMWZPWCIQGFIMG-UHFFFAOYSA-N 355.821 3.980 0 40 FHAB O=C(O)C1CCN(Cc2c(-c3ccco3)nc3ccc(Cl)cn23)CC1 6740889 NLHCIAKFHDVKNH-UHFFFAOYSA-N 359.813 3.544 0 40 FHAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CCN(c3ccccc3F)CC2)c1 7382075 COUQKTALQWXSHB-QGZVFWFLSA-N 356.441 3.559 0 40 FHAB CCc1n[nH]c(=S)n1NCc1cccc(OCc2ccc(F)cc2)c1 8339343 ZKSOLJRCZULKPO-UHFFFAOYSA-N 358.442 3.965 0 40 FHAB CC(=O)OCCc1cccc(NC(=O)Cc2c[nH]c3cccc(C)c23)c1 95467884 VWZHGHCAZFVFTO-UHFFFAOYSA-N 350.418 3.763 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccccc1C(=O)NC1CC1 26996728 KDRKQAIZLKZNDJ-UHFFFAOYSA-N 363.392 3.827 0 40 FHAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCCC2=O)cc1 20493284 JEKAHRWXPPMPBA-ZDUSSCGKSA-N 358.825 3.873 0 40 FHAB O=C(NCC1(c2ccccc2)CCC1)C1(C(=O)Nc2ccc(F)cc2)CC1 58005669 LOWTUBPJWNUUEN-UHFFFAOYSA-N 366.436 3.783 0 40 FHAB CN(CCNC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccccc1 12554875 PCCWDSPEBLEJQY-UHFFFAOYSA-N 373.456 3.805 0 40 FHAB CC[C@@H](NS(=O)(=O)c1cccc(F)c1)c1nc(-c2ccccc2)c[nH]1 58218025 BJCGGENGRHCRJU-MRXNPFEDSA-N 359.426 3.645 0 40 FHAB CC[C@@H]1CCCCN1C(=O)CN1CCC[C@@H]1c1ccc(OC)c(OC)c1 45004488 MJKQQJYJPXUONT-QZTJIDSGSA-N 360.498 3.632 0 40 FHAB CSc1nc2nc3c(cc2c(=O)n1-c1ccc(C)cc1)COC(C)(C)C3 2252213 HCPJKQSNKKPWGV-UHFFFAOYSA-N 367.474 3.662 0 40 FHAB Cc1cc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c(C)n1C(C)C 10778400 RLNDKEUJQAMXSN-UHFFFAOYSA-N 367.493 3.720 0 40 FHAB C[C@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(F)cc1F 10842191 RKQVYUDVEMVVCR-NSHDSACASA-N 359.376 3.752 0 40 FHAB COc1ccc(CN2C[C@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 28404696 SNFSSTRJHYLMBT-OAHLLOKOSA-N 372.852 3.644 0 40 FHAB COc1cccc(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 100423369 OCRUJRRLNYMPPK-PMACEKPBSA-N 350.462 3.621 0 40 FHAB Cc1ccc(COC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 11439783 RWGKIWCTBLFTIW-UHFFFAOYSA-N 370.493 3.696 0 40 FHAB O=C(NC[C@@H]1CCCc2ccccc21)c1ccc(CN2CCCC2=O)cc1 29108596 UZGQIMWPDNUECV-FQEVSTJZSA-N 362.473 3.659 0 40 FHAB CC[C@H]1CN(C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)CCO1 29154488 DOCQFFKDLAZMKN-INIZCTEOSA-N 357.837 3.822 0 40 FHAB O=C(NCCC(=O)N1CCC[C@@H]1Cc1ccccc1)c1ccc(Cl)cc1 37143109 ZQNYUMLWPKCRMX-LJQANCHMSA-N 370.880 3.694 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1cc(C)nc(C)n1 12017009 DGWUMKAITBWZGY-SNVBAGLBSA-N 351.859 3.875 0 40 FHAB C=Cn1nnc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)n1 10119659 HNJIRWRREUSFSY-UHFFFAOYSA-N 350.165 3.593 0 40 FHAB Cc1ccc(C(=O)NC2CCCCC2)cc1NS(=O)(=O)c1ccccc1 10357896 DLXMJUALVGTOIR-UHFFFAOYSA-N 372.490 3.858 0 40 FHAB O=C(OCc1ccccc1)c1ccccc1NS(=O)(=O)c1cccs1 3277942 SGUPAQCXSXNHCK-UHFFFAOYSA-N 373.455 3.906 0 40 FHAB C[C@H](c1nnc(-c2cccs2)o1)N1CCN(c2ccccc2F)CC1 12610333 YHLQAHNDTBOAPI-CYBMUJFWSA-N 358.442 3.820 0 40 FHAB O=C(CCCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)c1cccs1 48261681 OVGXITZFKUNXOQ-QGZVFWFLSA-N 361.438 3.840 0 40 FHAB CCc1noc([C@@H](C)N(C)Cc2cc(Br)ccc2OC)n1 12793958 WCFWZTXNPYPLLR-SNVBAGLBSA-N 354.248 3.596 0 40 FHAB CC(C)CC(=O)Nc1ccc(C(=O)CSc2nnc3ccccn23)cc1 3385148 KEIMHLVQNLDTDK-UHFFFAOYSA-N 368.462 3.689 0 40 FHAB CC[C@@H](Sc1n[nH]c(/C=C/c2ccccc2)n1)C(=O)Nc1cc(C)on1 12890083 XBGDAOPJDPQDKQ-ATWMFIQVSA-N 369.450 3.781 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1cnn(-c2ccccc2)c1 12806381 WPVWVCGNWJLONX-AWEZNQCLSA-N 355.825 3.609 0 40 FHAB O=C(CSc1ccc(F)c(F)c1)N1CCN(Cc2ccccc2)C1=O 12898301 UVZZJWHRGKMTQW-UHFFFAOYSA-N 362.401 3.521 0 40 FHAB COc1ccc([C@@H](CNC(=O)Cc2ccccc2F)N2CCCCC2)cc1 3415481 WAIVTHFYHCTICS-OAQYLSRUSA-N 370.468 3.720 0 40 FHAB O=C(N[C@@H]1CCc2ccccc21)c1ccc(I)cc1 12945328 NBXBMDZTGCYVLU-OAHLLOKOSA-N 363.198 3.709 0 40 FHAB CC(=O)Nc1cccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c1 12975122 XGPUKNOHOIPTAX-HXUWFJFHSA-N 363.417 3.548 0 40 FHAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(NC(C)=O)c(C)c1 408607589 NGPUPVDBYFLPAC-UHFFFAOYSA-N 360.479 3.879 0 40 FHAB C[C@H](CSc1ccc(F)cc1)C(=O)Nc1cccc(-c2ncn(C)n2)c1 96008900 NWGXMLXQHNTDHN-CYBMUJFWSA-N 370.453 3.988 0 40 FHAB O=C(O[C@@H]1CCCC1=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 13135351 UNVSZGKZPXGGEF-LJQANCHMSA-N 364.376 3.957 0 40 FHAB CCCC(=O)N1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)ccc1OC 4060988 IANYHQRAMXZNHN-YYWHXJBOSA-N 361.482 3.699 0 40 FHAB biogenic C[C@H](O)[C@@]1(O)C[C@H]2[C@@H]3CC[C@]4(C)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1 118914894 ZOTNOPONJVMHKM-XBUWTENYSA-N 350.543 3.892 0 40 FHAB COc1ccc([C@H](NC(=O)Nc2cccc(C)c2)c2nccn2C)cc1 9314253 DTKZUTZYPRWOOB-SFHVURJKSA-N 350.422 3.648 0 40 FHAB C[C@H](Sc1nnc(-c2ccncc2)n1C)C(=O)c1c[nH]c2ccccc12 6138001 IHUFDCKLOJMKFA-LBPRGKRZSA-N 363.446 3.722 0 40 FHAB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1 5104069 DBNBIYXXCKPJNH-UHFFFAOYSA-N 369.417 3.566 0 40 FHAB COc1ccc(-c2nnc(SCCOc3ccc(C)cc3)n2C)cc1 5131517 IBHITJNBZFMLGT-UHFFFAOYSA-N 355.463 3.970 0 40 FHAB CC(=O)c1cc2c(cc1NC(=O)Cc1cccc(C(F)(F)F)c1)OCO2 6260419 YSILPJHCJAARKZ-UHFFFAOYSA-N 365.307 3.818 0 40 FHAB Cc1noc(C)c1CN1CCN(Cc2ccc(Cl)c3cccnc23)CC1 65545032 UOCBMGRKMIGOBJ-UHFFFAOYSA-N 370.884 3.811 0 40 FHAB COc1ccc2cc3c(nc2c1)N(NC(=O)c1ccc(Cl)cc1)CC3 5322937 DYRKZOAJWPTTTE-UHFFFAOYSA-N 353.809 3.604 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1 5329336 MWRSVGDFXCJYIQ-UHFFFAOYSA-N 358.463 3.539 0 40 FHAB CCOC(=O)c1ccc(NC(=S)Nc2ccc(C(=O)OCC)cc2)cc1 5499827 UNDXGNBJIAXWEM-UHFFFAOYSA-N 372.446 3.849 0 40 FHAB COc1ccc(CNC(=S)N2CCC(N(C)c3ccccc3)CC2)cc1 66008446 IATDMBULLUBSJI-UHFFFAOYSA-N 369.534 3.671 0 40 FHAB CCN(CC)CCCNc1nc2sc3c(c2c2ncnn12)C[C@H](C)CC3 5576180 LCXLJHAZOYFTED-CYBMUJFWSA-N 372.542 3.608 0 40 FHAB CN(C)c1ccc(NC(=S)NC(=O)c2ccc(F)cc2Cl)cc1 4747000 NCJYHEDPFRSREJ-UHFFFAOYSA-N 351.834 3.672 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(F)cc2Br)c1C 7032578 LFGIEPXPPRNZNI-UHFFFAOYSA-N 368.202 3.997 0 40 FHAB COc1cc(CSc2nnc(C)s2)c(OC)cc1Br 7192651 RXLSMRAIECDSEB-UHFFFAOYSA-N 361.286 3.919 0 40 FHAB COc1cc(S(=O)(=O)Oc2ccccc2C(C)C)ccc1NC(C)=O 9576013 CTDGMOOYWFBPIP-UHFFFAOYSA-N 363.435 3.545 0 40 FHAB Cc1cc(C)cc(OCCn2cnc3ccc(Br)cc3c2=O)c1 7392197 YIDAEGOKGBSULY-UHFFFAOYSA-N 373.250 3.855 0 40 FHAB O=C(COC(=O)C1(c2ccccc2)CC1)Nc1ccc(C(F)(F)F)cc1 7490511 SWZSMHCIEPMYAD-UHFFFAOYSA-N 363.335 3.919 0 40 FHAB CCc1nc(C(=O)N(C)[C@@H](C)c2ccco2)nn1-c1ccccc1Cl 71847888 OFOSQCIYUIGGOM-LBPRGKRZSA-N 358.829 3.909 0 40 FHAB O=C(O)CN1C(=O)/C(=C/c2sc3ccccc3c2Cl)SC1=S 71841857 ZJJRZLLMNWSCOT-YHYXMXQVSA-N 369.876 3.841 0 40 FHAB Cc1ccc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c(C)c1 16142501 BVKDDFKAZYQNRL-UHFFFAOYSA-N 350.462 3.860 0 40 FHAB CC[C@@H](NCc1ccccc1C(F)(F)F)c1cccc(S(N)(=O)=O)c1 95462592 AQGAZQMOAXBZTG-MRXNPFEDSA-N 372.412 3.594 0 40 FHAB COC(=O)c1c(COC(=O)c2ccc(F)cc2F)nc2ccccc2c1C 8293913 PIBAMSQTUANZEW-UHFFFAOYSA-N 371.339 3.965 0 40 FHAB Cc1ccc(CSCC(=O)NCc2ccc(-n3ccnc3)cc2)cc1 20462737 RPMMPHFIBHQWAI-UHFFFAOYSA-N 351.475 3.730 0 40 FHAB CCN1C[C@H](CN(C)C(=O)NCc2cccc(Cl)c2)Oc2ccccc21 17068240 PFBHNAJAAFDWLE-KRWDZBQOSA-N 373.884 3.769 0 40 FHAB Cc1nnc(NC(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)s1 17028657 AODRTHRJLZXVOS-UHFFFAOYSA-N 356.190 3.512 0 40 FHAB Cc1cc(C(F)(F)F)nn1CC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 17075718 HYJVOUMWNWIBJL-QLFDAEIZSA-N 369.431 3.931 0 40 FHAB CCN(CC)CCNc1ncnc2c1cnn2-c1cc(Cl)ccc1C 8583109 RKHNSDPATFACDH-UHFFFAOYSA-N 358.877 3.531 0 40 FHAB Cc1cc2oc(C(=O)Nc3ccc4c(c3)NC(=O)CO4)c(C)c2cc1C 28287919 JXCVUNWBJLHDHI-UHFFFAOYSA-N 350.374 3.941 0 40 FHAB CC[C@@H](C[C@H](C)CO)NC(=O)CCCOc1ccccc1Br 95443442 WSBPBKPSJVYFQQ-KBPBESRZSA-N 372.303 3.521 0 40 FHAB Cc1cc(C)nc(SCC(=O)N2CCC(Cc3cccc(F)c3)CC2)n1 84114607 BAVWNJTYEULINJ-UHFFFAOYSA-N 373.497 3.806 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(C2CC2)n1Cc1ccco1 8924693 UMBYXCDUWMIBQL-BBRMVZONSA-N 374.510 3.584 0 40 FHAB O=C(c1cccc(C(=O)N2CCCCCCC2)n1)N1CCCCCCC1 73874881 KZLZQBJBWIJKOT-UHFFFAOYSA-N 357.498 3.894 0 40 FHAB CO[C@@H]1[C@H](C)[C@@H](NC(=O)Cc2csc(-c3ccsc3)n2)C1(C)C 95987023 KPRCHHHSBVWGKW-VCTAVGKDSA-N 350.509 3.590 0 40 FHAB CCO[C@@H]1C[C@@H](NC(=O)Nc2nc(-c3cccnc3)cs2)C12CCC2 76068762 AVTAFOIAMTVHSF-HUUCEWRRSA-N 358.467 3.674 0 40 FHAB C[C@@H]1CCCC[C@@H]1OCC(=O)NCc1ccnc(N2CCCCCC2)c1 112817292 YKZYQISBOVLTKO-MJGOQNOKSA-N 359.514 3.674 0 40 FHAB O=C(COc1ccccc1F)Nc1cc(C(=O)O)c(Cl)cc1Cl 20144591 PFQMCNFKFRCFNE-UHFFFAOYSA-N 358.152 3.848 0 40 FHAB CCN(CC)c1cc2[nH]c(O)nc2cc1NC(=O)[C@@H](C)c1ccccc1 408526203 AHQRYYDXQVZACG-ZDUSSCGKSA-N 352.438 3.857 0 40 FHAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1 64982528 JKDWTJCOAODIHG-QGZVFWFLSA-N 354.450 3.546 0 40 FHAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(OC)ccc3OC)S2)cc1 408787329 XTCXAMDKXDWMJH-SQWSFHKJSA-N 370.474 3.866 0 40 FHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCCc1ccc(OC)cc1 20453633 NACVFWGGSFWGJA-HXUWFJFHSA-N 357.450 3.610 0 40 FHAB Cc1nnc(CNC(=O)Nc2ccnn2Cc2ccc(C(C)C)cc2)s1 547669417 NBPXHTUQGWZNFF-UHFFFAOYSA-N 370.482 3.536 0 40 FHAB O=c1c(NCc2cccs2)nccn1-c1ccc(Br)cc1 10273191 GAJGFRAOSKHHNB-UHFFFAOYSA-N 362.252 3.669 0 40 FHAB COc1ccccc1C(=O)/N=c1\sc(C)c(-c2ccc(F)cc2)n1C 409204395 GQBJNIMKRLCBHA-VZCXRCSSSA-N 356.422 3.951 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1 39754536 OVGVYGKUGWJIOW-UHFFFAOYSA-N 366.461 3.714 0 40 FHAB CC(C)c1noc(-c2ccc(OCC(=O)NCc3ccccc3F)cc2)n1 32578908 QXBJEDXNZJJFRX-UHFFFAOYSA-N 369.396 3.694 0 40 FHAB Cc1ccc([C@@H](NC(=O)CCN2CCCC[C@@H]2C)c2cccnc2)cc1 36734476 DSPBPKLMHZTKCQ-PGRDOPGGSA-N 351.494 3.860 0 40 FHAB Cc1cc([C@H]2CCCCN2C(=O)OC(C)(C)C)cnc1N1CCOCC1 72219369 XKDWKFSXRHWGJJ-QGZVFWFLSA-N 361.486 3.689 0 40 FHAB COc1ccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)c(OC)c1 38834674 IUGKFMNOEZSZIA-UHFFFAOYSA-N 351.406 3.509 0 40 FHAB O=C(OCc1ccccc1)N1CCC(c2ncc3c(Cl)nccn23)CC1 33359145 GICTYCOUGZEHPH-UHFFFAOYSA-N 370.840 3.899 0 40 FHAB CCc1ccc(OCCNC(=O)[C@@H](C)Sc2ccc(OC)cc2)cc1 224339962 CYJDGVDRRLEROC-OAHLLOKOSA-N 359.491 3.933 0 40 FHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 225053901 VQSUXNVIVWGXHB-MOPGFXCFSA-N 366.505 3.870 0 40 FHAB CC[C@H](NC(=S)Nc1ccccc1F)c1ccc(S(C)(=O)=O)cc1 225723230 MNTBOAMWKPFQKY-HNNXBMFYSA-N 366.483 3.667 0 40 FHAB O=C(CCc1ccccc1)Nc1cc2c(cc1C(=O)C1CC1)OCCO2 80340225 ANQKJOYWILAGFB-UHFFFAOYSA-N 351.402 3.622 0 40 FHAB CC[C@H](NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(C)cc1 44935875 RJTDTPLJGMLMCL-NRFANRHFSA-N 352.478 3.708 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc3nc(C)c(C)c(C)n3n2)c(C)c1 40119199 MNHLATGIOXHQCB-OAHLLOKOSA-N 369.494 3.786 0 40 FHAB Cc1cccc(C(=O)NCc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)c1 48333593 OLPFMEGVIKVWEV-QZTJIDSGSA-N 352.478 3.534 0 40 FHAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC[C@@H]1COc2ccccc2O1 225256564 IGYVINPZHDDGMT-CRAIPNDOSA-N 369.461 3.708 0 40 FHAB Cc1c(Cl)cccc1S(=O)(=O)NCc1ccc(-c2cccnc2)nc1 225766538 OYYUDENTURKDRM-UHFFFAOYSA-N 373.865 3.584 0 40 FHAB COc1ccc(/C=C/C(=O)N2CCS/C2=C/c2c(C)nn(C)c2C)cc1 225244497 QANVCNNMHPGSDV-ADCWSOHQSA-N 369.490 3.633 0 40 FHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCOc1ccc(C)cc1C 224158439 BICDNILYWFVWTC-LJQANCHMSA-N 357.450 3.665 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(F)c2)cc1Cl 225391595 NRBDFPVXBNSZBA-UHFFFAOYSA-N 351.761 3.917 0 40 FHAB CCCSc1nnc(NS(=O)(=O)c2ccc(SC)cc2)s1 224206833 LXUHXWCYSMGVBP-UHFFFAOYSA-N 361.539 3.563 0 40 FHAB Cc1cccc(CSCCNC(=S)Nc2ccc3c(c2)OCCO3)c1 225337767 ZBMLCEYZVYYQQB-UHFFFAOYSA-N 374.531 3.986 0 40 FHAB COc1ncc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1C 225876257 XIRCNWKONLKSIA-UHFFFAOYSA-N 360.841 3.739 0 40 FHAB CCN(CC)c1nc2nonc2nc1Nc1ccc(Cl)c(Cl)c1 98086421 ZQLLNSVECPHPSW-UHFFFAOYSA-N 353.213 3.909 0 40 FHAB Cn1cc([C@H]2CCN(C(=O)Nc3nc([C@H]4C[C@H]5CC[C@H]4C5)cs3)C2)cn1 333038845 DVEVWDNYYJTWSS-YXWQFLTLSA-N 371.510 3.802 0 40 FHAB COc1ccc([C@H](N)c2n[nH]c(COc3ccc(C(C)(C)C)cc3)n2)cc1 95533753 SNGBZMMVWXKTPX-IBGZPJMESA-N 366.465 3.738 0 40 FHAB Cc1ccc(C(=O)N2CC[C@@]3(C[C@H]3C(=O)Nc3cccc(F)c3)C2)cc1C 96075043 MVMYHJIEBMGAPP-SIKLNZKXSA-N 366.436 3.933 0 40 FHAB CC(C)Cc1sc(Cl)nc1C(=O)NCc1nc2ccccc2n1C 96231831 OCOXGOZSLLPOOT-UHFFFAOYSA-N 362.886 3.812 0 40 FHAB CSc1ncccc1C(=O)N1CC[C@@H](c2noc(-c3cccs3)n2)C1 253473151 RTURBDQHKNKCHU-LLVKDONJSA-N 372.475 3.545 0 40 FHAB Cc1cc(-c2nc(C)c[nH]2)nc(CC2CCN(C(=O)CC(C)(C)C)CC2)n1 257213937 CJTZYFFWLFYFBA-UHFFFAOYSA-N 369.513 3.701 0 40 FHAB Cn1cc([C@@H](NC(=O)N[C@@H]2[C@@H](c3ccccc3)C2(C)C)C(F)(F)F)cn1 626539102 CLLXXLPCDCLYBF-RBSFLKMASA-N 366.387 3.515 0 40 FHAB Cc1ccc(OC2CCN(C(=O)Cc3cccc4ccccc34)CC2)nn1 96119419 OIQBNZJXJSZBNQ-UHFFFAOYSA-N 361.445 3.551 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Oc3cnccn3)cc2)c1C 47187336 QNBALJHDPNUQEA-UHFFFAOYSA-N 350.378 3.669 0 40 FHAB Cn1c([C@H](NC(=O)Nc2cccnc2)c2ccccc2)nc2ccccc21 58411349 PNDCUYROJCPAKO-LJQANCHMSA-N 357.417 3.879 0 40 FHAB O=C(CCc1nc(-c2ccccn2)no1)N[C@H]1CCc2cc(Cl)ccc21 55739541 FJJLVVCTOKXNCZ-HNNXBMFYSA-N 368.824 3.521 0 40 FHAB Cc1nn(C)c2sc(C(=O)N[C@@H](c3ccc(F)cc3)[C@@H]3CCCO3)cc12 55945710 PZIAJEFAXKZBKK-RDJZCZTQSA-N 373.453 3.732 0 40 FHAB Cc1c(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)cnn1C(C)(C)C 40140743 NTSDWBYVFAELKY-QGZVFWFLSA-N 353.470 3.950 0 40 FHAB CC(=O)N[C@H](CCc1ccc(Cl)c(Cl)c1)c1cccc(O)c(=O)c1 5663287 MIGSPHGJQIIJCX-MRXNPFEDSA-N 366.244 3.869 0 40 FHAB Cc1onc(-c2ccncc2)c1C(=O)N[C@H](c1ccccc1)c1cccnc1 12148240 HKDQDSDIQYKBJT-HXUWFJFHSA-N 370.412 3.959 0 40 FHAB CC(=O)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 14464013 LLNBNMJUJBMZFU-AWEZNQCLSA-N 357.793 3.501 0 40 FHAB CC(=O)c1cccc(OCC(=O)NCc2cccc(C(F)(F)F)c2)c1 14790016 DECXGOBEZICKHZ-UHFFFAOYSA-N 351.324 3.603 0 40 FHAB O=C(CCc1ccccc1)N1C[C@@H]2CCCCN(Cc3cccnc3)[C@@H]2C1 19370883 CBYJZEMJVAKPOW-FCHUYYIVSA-N 363.505 3.527 0 40 FHAB CN1CCCC[C@@H]1c1ncc2c(n1)CCN(Cc1ccccc1Cl)C2 19589032 FXPOWPBNRXVEFZ-LJQANCHMSA-N 356.901 3.845 0 40 FHAB CCc1nnc([C@H]2C(=N)S/C(=C\c3cc4c(cc3C)OCO4)C2=O)s1 6160416 NFAHMHWMCPTYMJ-MLCQQITJSA-N 373.459 3.555 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)N3[C@H]4CC[C@H]3CC(=C3CC3)C4)CC2=O)cc1C 618257665 ZTNIXZXFODFIAI-GIVPXCGWSA-N 364.489 3.900 0 40 FHAB COc1ccc2nc(N(CCN(C)C)C(=O)C3CCCCC3)sc2c1 4359133 SEDJGRVDASIGTD-UHFFFAOYSA-N 361.511 3.780 0 40 FHAB CC(C)Cc1nnc(-c2cc3ccccc3n2CC(=O)NC2CCCC2)o1 15881580 WXSIYNXHXQVRKF-UHFFFAOYSA-N 366.465 3.949 0 40 FHAB CCn1nccc1CNC(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 1670717340 IDTVBHZRUNJJGA-GFCCVEGCSA-N 361.515 3.832 0 40 FHAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2cc(Cl)ccc2C)cc1 2636038 JLLJDBLIEDQPIJ-UHFFFAOYSA-N 351.855 3.759 0 40 FHAB O=C(CSC1CCCC1)NC[C@@H](O)c1ccc(-c2ccco2)s1 1888913724 OMKZXVHWQYAYIO-CYBMUJFWSA-N 351.493 3.834 0 40 FHAB Cc1nnc(COC(=O)C2(Cc3nc4ccccc4s3)CCCC2)o1 24511834 OJWLMBZEIHNACS-UHFFFAOYSA-N 357.435 3.834 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2nc3c(OC)ccc(C)c3s2)c1 4330925 ZGUVXOCNAXSHIS-UHFFFAOYSA-N 358.419 3.883 0 40 FHAB COc1ccc(C(=O)NC[C@H](O)c2ccc(-c3cccs3)o2)cc1F 1775967561 WRCUVIVPVFIKHO-ZDUSSCGKSA-N 361.394 3.619 0 40 FHAB O=C(c1cc2ccccc2o1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 38729200 RASDXJZGVJAICP-RBUKOAKNSA-N 374.440 3.521 0 40 FHAB COc1ccc(C)c2sc(N3C[C@@H]4CN(c5ccccn5)C[C@@H]4C3)nc12 2298100649 BMZVMOYRLMXCCO-GASCZTMLSA-N 366.490 3.581 0 40 FHAB CCOc1ccc(-c2cc3n(n2)S[C@H](NCc2ccccc2)N3)cc1 35148197 HVENAWCHDNTSEQ-LJQANCHMSA-N 352.463 3.944 0 40 FHAB Cc1cc(C(=O)OCC(=O)N2c3ccccc3CCc3ccccc32)on1 40050119 ZZLPSXNMGZGHMX-UHFFFAOYSA-N 362.385 3.603 0 40 FHAB COc1ccccc1NC(=O)[C@@H]1CC(O)=Nc2cc(-c3ccccc3)nn21 20728847 XGCNIIDFYWQHRZ-INIZCTEOSA-N 362.389 3.730 0 40 FHAB COc1ccc(CN(C(=O)Cc2cc(C(C)=O)ccc2OC)C2CC2)cc1 32740914 TTZHSWLCXJFPLE-UHFFFAOYSA-N 367.445 3.640 0 40 FHAB C[C@H](NC(=O)[C@@H](C)S(=O)(=O)Cc1ccc(Cl)s1)c1ccccc1 32929862 SGLPJJGMFZBDSG-NWDGAFQWSA-N 371.911 3.582 0 40 FHAB COc1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 628803 SWWGMLQADYZIAS-UHFFFAOYSA-N 362.234 3.811 0 40 FHAB CC1CCN(c2nc(N3CCC(C)CC3)nc(N3CCC(C)CC3)n2)CC1 705101 CDBLPNONDPRNGN-UHFFFAOYSA-N 372.561 3.581 0 40 FHAB Cc1ccc(N2C[C@@H](C(=O)Nc3nc4ccccc4s3)CC2=O)cc1 806849 SJZZOSPDLKXCFG-ZDUSSCGKSA-N 351.431 3.596 0 40 FHAB O=C(CCCCCN1C(=O)c2ccccc2C1=O)NC1CCCCCC1 1749499 ZNPMKCCZDFXOJF-UHFFFAOYSA-N 356.466 3.682 0 40 FHAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@H](C)N1CCCC(C)(C)C1 2308764 IPTLTKDOGSOEOV-AWEZNQCLSA-N 371.481 3.712 0 40 FHAB COc1ccc([C@@H](O)[P@@](=O)(OC(C)C)c2ccc(N(C)C)cc2)cc1 2379821 NIDVRFJAHFQOSJ-DFBJGRDBSA-N 363.394 3.781 0 40 FHAB Cc1ccc2c(c1)c1ncnc(N3CCN(c4ccccc4)CC3)c1n2C 2395393 JUQDSFRVKMETHP-UHFFFAOYSA-N 357.461 3.757 0 40 FHAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)C1(c2cccc(F)c2)CCCC1 3272667 JYEHMXRIBJZXQO-HOTGVXAUSA-N 361.457 3.970 0 40 FHAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2cc(F)ccc2C)CC1=O 3566261 VCNAGNQQAIIUOO-AWEZNQCLSA-N 356.397 3.524 0 40 FHAB COc1ccc(Nc2ncnc3c2cnn3-c2cccc(C)c2)c(OC)c1 3912221 COCLXKRIRJOGTP-UHFFFAOYSA-N 361.405 3.885 0 40 FHAB CCOC(=O)COc1ccc2c(C)c(-c3ccc(OC)cc3)c(=O)oc2c1 4340188 VUPRRDSBVIGREG-UHFFFAOYSA-N 368.385 3.719 0 40 FHAB biogenic NC(=O)c1c(NC(=O)CSc2ccc(F)cc2)sc2c1CCCC2 4496735 MWVGFKOBGKRFHC-UHFFFAOYSA-N 364.467 3.596 0 40 FHAB CSc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 4517405 LWXGOTGQDXECQH-JTQLQIEISA-N 360.504 3.946 0 40 FHAB COC(=O)c1cc(NCc2ccc(SC)cc2)ccc1N1CCOCC1 4705461 MCHNGXURMOKDHF-UHFFFAOYSA-N 372.490 3.644 0 40 FHAB COC(=O)c1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(c2ccc(F)c(F)c2)C(=O)N1 4852888 MEGJUGDQKGEKAD-KXBFYZLASA-N 374.343 3.521 0 40 FHAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccccc2OCc2ccccc2)C1 4932891 AEOQTSHLNOIRFN-SFHVURJKSA-N 367.445 3.681 0 40 FHAB N=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1nccs1 5023659 SPRYRDWPBODVOY-SNVBAGLBSA-N 368.281 3.531 0 40 FHAB CCCN1C(=O)[C@@](O)(CC(=O)c2c(C)coc2C)c2cc(Cl)ccc21 5306341 KLQFKMYESLJABZ-LJQANCHMSA-N 361.825 3.767 0 40 FHAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(C)c2)cc1 5589035 ZKFUVZNKQQRBJD-UHFFFAOYSA-N 352.463 3.923 0 40 FHAB CCOc1ccc2nc(S[C@@H](C)C(=O)Nc3ccnn3C(C)C)[nH]c2c1 5667381 YWZSCHVKMBKRII-LBPRGKRZSA-N 373.482 3.858 0 40 FHAB CCOc1ccc(C2=N/C(=C\c3ccc(OC)cc3)C(=O)O2)cc1OCC 5703080 VLVLGRMXTWKRLX-ATVHPVEESA-N 367.401 3.837 0 40 FHAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2cc(Cl)ccc2C)c1 5778501 UJLJCEVOCHPZQK-VQHVLOKHSA-N 359.809 3.852 0 40 FHAB O=C(OCC(=O)N1CCCc2ccccc21)c1ccc(C(F)(F)F)cc1 5980782 WYUZIGYNCOKOND-UHFFFAOYSA-N 363.335 3.842 0 40 FHAB O=C(NC1CCCCC1)/C(=C/c1cccs1)NC(=O)c1ccccc1 6222730 RGFOITBHAVTYPU-JXAWBTAJSA-N 354.475 3.968 0 40 FHAB O=C(c1cnc2sccn2c1=O)N(Cc1ccccc1)c1ccccc1 6228334 ARSLWUUHUCDNRW-UHFFFAOYSA-N 361.426 3.603 0 40 FHAB O=C(COC(=O)/C=C/c1ccc(Cl)c(Cl)c1)NCc1cccs1 6550948 WCXAUZRLCZOSFP-GQCTYLIASA-N 370.257 3.928 0 40 FHAB Cc1nn(-c2ccccn2)c2ncc(C(=O)c3cc(Cl)ccc3O)cc12 6831588 UUGDRCKBDVEWQG-UHFFFAOYSA-N 364.792 3.714 0 40 FHAB O=C(CCC(=O)c1ccccc1)NCc1ccc(CN2CCCCC2)cc1 7448132 ISNJIKOYRPBTLM-UHFFFAOYSA-N 364.489 3.952 0 40 FHAB C[C@@H](NC(=O)CSc1nncn1-c1ccccc1)c1ccc(F)cc1F 7677636 ZXIPGSWBYXWOAW-GFCCVEGCSA-N 374.416 3.515 0 40 FHAB COc1ccc(-c2nc(C)c(C(=O)Nc3ccccn3)s2)cc1OC 8162933 QVIDQQFCHHZPJJ-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB NC(=O)c1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1 8937757 BJFCDMFPDBLGIW-UHFFFAOYSA-N 352.434 3.851 0 40 FHAB CCc1nnc2sc(-c3ccc(NC(=O)c4ccccc4C)cc3)nn12 9190272 KGZIXNJFJKHWJZ-UHFFFAOYSA-N 363.446 3.976 0 40 FHAB C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)N[C@@H](C)c1ccc(F)cc1 9451118 ZVBSJOJUOHGTRW-STQMWFEESA-N 370.453 3.969 0 40 FHAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 9460260 YSYDWCYPMJHFGN-UHFFFAOYSA-N 352.434 3.503 0 40 FHAB CCOc1ccccc1CCC(=O)NCC(=O)Nc1c(C)cc(C)cc1C 9691260 DNXFQSXWIWPNFY-UHFFFAOYSA-N 368.477 3.698 0 40 FHAB COc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 9836465 WPNQXZJBGDILDG-LLVKDONJSA-N 350.212 3.864 0 40 FHAB CCc1cc2c3c(c1)[C@@]1(NC(=O)c4ccccc4N1)C(=O)N3C(C)(C)C=C2C 10325930 AEQQZVMZISXOKN-HSZRJFAPSA-N 373.456 3.799 0 40 FHAB Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1NS(C)(=O)=O 10330921 SVBKCVUMUCRKNO-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB COc1ccc(F)cc1C(=O)COC(=O)Cn1c(C)cc2ccccc21 10722007 MKGCDZPJUZAKAS-UHFFFAOYSA-N 355.365 3.524 0 40 FHAB COc1ccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cn1 11774191 LYGZERKDSGITBX-UHFFFAOYSA-N 360.373 3.788 0 40 FHAB O=C(CCn1ncc2ccccc21)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12116065 KDUXSGBQKYSDBX-LJQANCHMSA-N 359.433 3.666 0 40 FHAB Cc1ccc(N2C[C@@H](c3nc(-c4ccccn4)no3)CC2=O)cc1Cl 12414366 PKAYLOSUDGGVEB-LBPRGKRZSA-N 354.797 3.614 0 40 FHAB Cc1oc(-c2ccccc2)nc1C(=O)OCc1nc(N)c2ccccc2n1 12538606 KUAZGAWBQHYGCQ-UHFFFAOYSA-N 360.373 3.532 0 40 FHAB O=C(CCC(=O)c1ccc2c(c1)OCCCO2)NCc1ccccc1Cl 12700669 HZNYVSUAVHJTJY-UHFFFAOYSA-N 373.836 3.781 0 40 FHAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(S(C)(=O)=O)c1 12847567 UQUCOQCQLQRWGD-LBPRGKRZSA-N 374.487 3.533 0 40 FHAB COC(=O)c1cccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c1C 12905296 FSBBGFRQHQMXOW-KRWDZBQOSA-N 369.417 3.592 0 40 FHAB COc1cccc(-c2noc(CSCC(=O)Nc3cccc(F)c3)n2)c1 12978433 QHORHNOUJVSWLA-UHFFFAOYSA-N 373.409 3.756 0 40 FHAB O=C(CSCC(=O)N1CCCCC1)Nc1ccc(Cl)c(Cl)c1 13006316 TTYNBNYVXUASNM-UHFFFAOYSA-N 361.294 3.678 0 40 FHAB COc1ccc(-c2nn3c(-c4cc(F)ccc4F)nnc3s2)cc1OC 13654559 HWRZTHZZMOWYJY-UHFFFAOYSA-N 374.372 3.815 0 40 FHAB COc1ccccc1OCCNC(=O)c1cccnc1Oc1ccccc1 15533183 NIEZPRRJGITYFK-UHFFFAOYSA-N 364.401 3.691 0 40 FHAB CC[C@H]1c2ccsc2CCN1C(=O)CNC(=O)c1ccc(C)c(C)c1 16778439 LZBJHLQWIHBHJW-KRWDZBQOSA-N 356.491 3.631 0 40 FHAB CC(=O)Nc1ccc(CC(=O)O[C@H](C)C(=O)c2ccc(C)c(C)c2)cc1 17119409 DHVPMSMITWMYPK-OAHLLOKOSA-N 353.418 3.619 0 40 FHAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)c3cccc(C)c3)ccc21 17286866 DEOHXOLZWVRTKB-UHFFFAOYSA-N 372.490 3.740 0 40 FHAB C[C@@H](NC(=O)CCCNC(=O)c1ccc(Cl)cc1)c1cccs1 17842214 WZRYGLFKNDDPQE-GFCCVEGCSA-N 350.871 3.789 0 40 FHAB CC1(C)Cc2c(cnn2Cc2ccccc2)[C@H](NC(=O)c2cccnc2)C1 19461693 ZEPNUBXJWUANBE-LJQANCHMSA-N 360.461 3.770 0 40 FHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(-n2ccnc2)cc1 20459907 DIEISJKTXHIHTC-OAQYLSRUSA-N 363.461 3.963 0 40 FHAB Clc1ccccc1COc1cccc(CNCCCN2CCOCC2)c1 20495154 WUVRBDOYVAJXLA-UHFFFAOYSA-N 374.912 3.731 0 40 FHAB CCc1cccc2c(C(=O)COC(=O)c3ccc(-n4cccn4)cc3)c[nH]c12 21470577 UQSFOASNMKPKAE-UHFFFAOYSA-N 373.412 3.956 0 40 FHAB COc1cccc(-n2ccnc2S[C@H](C)C(=O)N2CCCCCC2)c1 21604617 KWBWSBVYKBYPQR-OAHLLOKOSA-N 359.495 3.764 0 40 FHAB O=C(Nc1ccc(F)cc1Cl)[C@H]1CC(=O)N(c2ccccc2F)C1 23131243 FYRGTLFHYYOGGV-JTQLQIEISA-N 350.752 3.610 0 40 FHAB CC[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(C)cc1 25452658 AMFOOPKBMRMVDT-FQEVSTJZSA-N 350.462 3.999 0 40 FHAB COc1cc(C)c(Nc2cc(C)nc3nc(C(F)(F)F)nn23)cc1OC 26692224 FCAVGUIQCSYIAW-UHFFFAOYSA-N 367.331 3.521 0 40 FHAB CCCOC(=O)c1ccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)cc1 29484396 AMDVXFUZDIJTNN-FQEVSTJZSA-N 366.461 3.811 0 40 FHAB COC(=O)c1cccc(NC(=O)CCCc2nc(-c3cccs3)no2)c1 31688561 RSRDGZPXJBKTCR-UHFFFAOYSA-N 371.418 3.546 0 40 FHAB CCCCNC(=O)Nc1c(C)nn(COc2ccc(F)cc2F)c1C 32610629 WCPBPPBSXWRALM-UHFFFAOYSA-N 352.385 3.736 0 40 FHAB COc1ccc(CNC(=O)N[C@H]2CCSc3ccccc32)cc1OC 32794758 RLINTZVCCZCVOI-HNNXBMFYSA-N 358.463 3.740 0 40 FHAB O=c1cc(NCc2cccc(C(F)(F)F)c2)nc2ccc(Cl)cn12 32837502 WHFNKZDTZIOURE-UHFFFAOYSA-N 353.731 3.979 0 40 FHAB CC[C@@H](C)C(=O)OCc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 40040131 UAAAMBAGASTGAV-CYBMUJFWSA-N 354.381 3.614 0 40 FHAB CC(C)(C)C[C@@H](NC(=O)C1CCN(c2ncccn2)CC1)c1ccccc1 40134266 FXENYDLIECEBHS-LJQANCHMSA-N 366.509 3.987 0 40 FHAB O=C(Nc1cccnc1)c1cc(=O)c(OCc2ccc(Cl)cc2)co1 40286047 YYPKNRAHRXQELA-UHFFFAOYSA-N 356.765 3.520 0 40 FHAB COc1cc(NC(=O)N[C@H](C)CCc2ccc(O)cc2)cc(OC)c1OC 43170243 AAYJTHYJLBMFKX-CYBMUJFWSA-N 374.437 3.561 0 40 FHAB CC(C)c1nnc(C2CCN(C(=O)Cn3ccc4ccccc43)CC2)o1 44098468 YSRPPNLZZHBDSM-UHFFFAOYSA-N 352.438 3.554 0 40 FHAB COc1cccc(OCC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)c1 45102462 IOBUCKRGPHTWAN-UHFFFAOYSA-N 351.406 3.515 0 40 FHAB C[C@H](NC(=O)C1CCN(C(=O)C(C)(C)C)CC1)C12CC3CC(CC(C3)C1)C2 46555290 YQZUVIIVRNNOGS-SCUMNGBJSA-N 374.569 3.992 0 40 FHAB Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(Cl)c(C(=O)O)c1 47318205 XPMKPYDLUWPUIA-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB C[C@@H](NC(=O)c1ccc(-n2cc(Br)cn2)cc1)c1cccnc1 47428643 IRYHNROEJVSTFB-GFCCVEGCSA-N 371.238 3.521 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Nc1ccc2c(c1)OCCCO2 48362455 UIUFTDUBVZZFJY-DLBZAZTESA-N 368.477 3.786 0 40 FHAB C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NCCCn1cccn1 48363852 UBALTJGONOLJHU-LLVKDONJSA-N 358.294 3.877 0 40 FHAB Cc1cc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc(C)c1OCc1cccnc1 49674642 LACWJCRNMFKLHN-QFBILLFUSA-N 354.450 3.575 0 40 FHAB CCCOc1ccc(Cl)cc1NC(=O)c1ccccc1S(C)(=O)=O 55594525 YZPNRGLCKPQAPL-UHFFFAOYSA-N 367.854 3.785 0 40 FHAB Cc1cc(NC(=O)CN2CCCC[C@H]2c2nc3ccccc3s2)no1 58169377 IWOHAOAXBYNDHZ-AWEZNQCLSA-N 356.451 3.758 0 40 FHAB C[C@H](NC(=O)c1csc(-c2cccs2)n1)c1ccc2c(c1)CC(=O)N2 58379132 BYGMWUYIZHHVQA-JTQLQIEISA-N 369.471 3.857 0 40 FHAB COc1ccc(Nc2ccccc2C(=O)N[C@@H](C)c2nc(C)no2)cc1 65474504 TYMMYWGLNAQIAH-LBPRGKRZSA-N 352.394 3.621 0 40 FHAB COC(=O)c1sc2ncc(/C=C3\SC(=S)N=C3O)cc2c1C 65999156 AMWJHIKLNLMMMC-WTKPLQERSA-N 350.446 3.720 0 40 FHAB Fc1cc(Cn2nc(Br)nc2Br)ccc1Cl 71978804 LQWCNHDQOQSFNS-UHFFFAOYSA-N 369.419 3.644 0 40 FHAB CN(c1cccc(Br)n1)C1CCN(C(=O)OC(C)(C)C)CC1 72203350 QLVICWNKMIQFOK-UHFFFAOYSA-N 370.291 3.680 0 40 FHAB CC[C@@H](O)CCCNC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 72306622 WIDLNUXOFSERRN-CQSZACIVSA-N 371.437 3.689 0 40 FHAB COc1cccc([C@H](O)c2nc(-c3ccncc3)cc3ncccc23)c1OC 72391709 NEEMSFPPMVHYRE-NRFANRHFSA-N 373.412 3.791 0 40 FHAB O=C(O)c1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2cccs2)cc1 72402776 CEEUDBKZJOPABY-AWEZNQCLSA-N 353.403 3.815 0 40 FHAB O=C(Nc1cccnc1Oc1ccc2c(c1)N=C(O)CC2)[C@H]1CCCO1 72403404 HRARTNKARIHFSA-MRXNPFEDSA-N 353.378 3.526 0 40 FHAB Cc1ccc(S(=O)(=O)CCC(=O)N2CCC[C@H]2C2CCCCC2)cc1 77708677 GWXNZGJEIMMSRR-IBGZPJMESA-N 363.523 3.730 0 40 FHAB COc1cc(NC(=O)CCc2c(C)noc2C)ccc1-n1nc(C)cc1C 79491519 LWXWVDOXNJDWKZ-UHFFFAOYSA-N 368.437 3.674 0 40 FHAB CC(C)[C@H](O)c1ccccc1NC(=O)c1ccc(NC(=O)C2CC2)cc1 89801791 XFRIZKCPKDATKD-IBGZPJMESA-N 352.434 3.977 0 40 FHAB C[C@H](Oc1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1)C(=O)O 91695312 SPAAJVUBWAYRDH-JTQLQIEISA-N 354.328 3.685 0 40 FHAB CC(C)(C)OC(=O)N1CCc2c(nc(C(F)(F)F)nc2C(F)(F)F)C1 95743480 IMJVLGIFJUPNEJ-UHFFFAOYSA-N 371.281 3.807 0 40 FHAB Cc1cc(Br)cc2cc(C(=O)N[C@H](CCO)C(C)C)oc12 95982686 RIFYTNREPIVBGI-CYBMUJFWSA-N 354.244 3.641 0 40 FHAB COC(=O)CCCc1nc(CN2c3ccccc3C(C)(C)C[C@@H]2C)no1 96002349 JTBHLFCEXPFILM-AWEZNQCLSA-N 357.454 3.642 0 40 FHAB CCc1cccc(NC(=O)N2CC[C@]3(C[C@@H]3C(=O)Nc3cccnc3)C2)c1 96226894 UZQNQMCXYJPQAZ-NQIIRXRSSA-N 364.449 3.527 0 40 FHAB Cc1ccccc1CSCC(=O)N1CCN(Cc2cccs2)CC1 97101635 RMSQSNZPEDFBLP-UHFFFAOYSA-N 360.548 3.634 0 40 FHAB COc1ccc(NCc2cc(Br)c3c(c2)OCCCO3)cn1 97254045 DVSAFWHOOSYIJH-UHFFFAOYSA-N 365.227 3.626 0 40 FHAB CC(C)(C)NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 98073024 WPRDGYWIOCFNGS-UHFFFAOYSA-N 360.195 3.545 0 40 FHAB CCCCCn1c(=O)c(C(=O)Nc2ccccc2N)c(O)c2ccccc21 100498576 IXSBSIHHWMKKLI-UHFFFAOYSA-N 365.433 3.732 0 40 FHAB C[C@]12CC3CC(C(=O)N4CCN(c5ccccn5)CC4)(C1)C[C@](C)(C3)C2 100797963 VLBRMZWGJZIXCI-YLFWVWAESA-N 353.510 3.727 0 40 FHAB CN1CC[C@H](NC(=O)c2ccc(Cl)nc2)[C@H]1c1ccc(Cl)cc1 107541938 QKVLPWHMQZDMLW-GOEBONIOSA-N 350.249 3.564 0 40 FHAB COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3OC)o2)cc1 109417283 HOHFYPOJCQILJQ-UHFFFAOYSA-N 352.390 3.930 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 223012982 CNFUYAPBNCSPQB-OAQYLSRUSA-N 366.505 3.708 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl 223104313 JWUSGIKUMQMONE-IBGZPJMESA-N 372.896 3.744 0 40 FHAB CCC(CC)NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 224046889 AJVJYBYIXHZKMX-UHFFFAOYSA-N 360.479 3.714 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1C 224180450 ZENBCONNHOCYEW-OAQYLSRUSA-N 366.505 3.789 0 40 FHAB Cc1ccc(CN(C(=O)Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)cc1 225534934 LLWYCSFNTFVBEY-KRWDZBQOSA-N 370.468 3.619 0 40 FHAB CCCO[C@](C)(C(=O)Nc1ccc(OCC)c(C(=O)OCC)c1)C1CC1 225857883 VFDSZJWDPHIWLI-FQEVSTJZSA-N 363.454 3.796 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)NCc1ccoc1 245818462 KCNJFIUYOGXHNL-ATZDWAIDSA-N 366.461 3.680 0 40 FHAB COC1(OC)CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)C(=O)CC[C@@]32O)C1 253617376 JQRLVXRTTRZQBF-ZUSOQTMXSA-N 350.499 3.702 0 40 FHAB c1cncc(-c2ccc3nc([C@@H]4CCCN(Cc5ccco5)C4)nn3c2)c1 306141096 VLFKGJMKHYVNHZ-GOSISDBHSA-N 359.433 3.764 0 40 FHAB Cc1ccc2c(c1C)N(C(=O)c1nc(-c3cnn(C)c3)oc1C)CCC2 333826580 KDBSOJABBAYOKZ-UHFFFAOYSA-N 350.422 3.593 0 40 FHAB O=C(Cn1ccs/c1=N\C(=O)c1ccccc1Cl)c1ccccc1 409194292 JNLDQPPUHOPBPZ-ZZEZOPTASA-N 356.834 3.827 0 40 FHAB COc1ccc(-c2oc3c(c2CC(=O)O)c(=O)oc2ccccc23)cc1 524729349 PMSYDSCWDPZQQI-UHFFFAOYSA-N 350.326 3.842 0 40 FHAB biogenic CSc1cccc(C(=O)N2Cc3ccccc3[C@@H](c3cnn(C)c3)C2)c1 575619466 MGNOJQUMDFANEB-HXUWFJFHSA-N 363.486 3.930 0 40 FHAB Cc1ccc2c(c1)[C@H](NC(=O)CNC(=O)Cc1cccc3ccccc13)CC2 592883478 MIYIXZQKRFRMSK-JOCHJYFZSA-N 372.468 3.611 0 40 FHAB Cc1ncc(CNC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)o1 628213584 PBCUWUDRBCCQFE-SFHVURJKSA-N 363.889 3.578 0 40 FHAB O=C(Nc1ccc(F)cc1)c1ccc(CN[C@H]2COC3(CCC3)C2)cc1 657907813 RCPRRAVRIDFQLC-LJQANCHMSA-N 354.425 3.879 0 40 FHAB COCc1ccc(CN[C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)o1 680145511 STICHGHCHPIJJP-BVYCBKJFSA-N 354.494 3.816 0 40 FHAB CC(=O)N1CC2=Nc3cccc4[nH]cc(c34)[C@@H](c3ccc(O)cc3)C2=C1O 1547211723 QVDUGFOSHHWGLI-GOSISDBHSA-N 359.385 3.723 0 40 FHAB C[C@@H]1CN(c2ccncc2)CCN1C(=O)c1cc(Cl)cc(Cl)c1 1626234112 KVADRLBNTCUKHQ-GFCCVEGCSA-N 350.249 3.739 0 40 FHAB Fc1cc(F)cc(CN2CCC(Oc3nccc(C(F)(F)F)n3)CC2)c1 1775975698 MISNATIAXPULSK-UHFFFAOYSA-N 373.325 3.817 0 40 FHAB O=C(CSC1CCCC1)NC[C@H](O)c1ccc(-c2ccco2)s1 1888913725 OMKZXVHWQYAYIO-ZDUSSCGKSA-N 351.493 3.834 0 40 FHAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)c3ccccc3C)C2)cc1C 2037913077 PNCNBWWJLDRSAJ-JOCHJYFZSA-N 353.462 3.658 0 40 FHAB COc1cc(NC(=O)CC(C)C)c(OC)cc1NC(=O)Cc1ccccc1 1324345 ZJYFAJCIUCRRDX-UHFFFAOYSA-N 370.449 3.870 0 40 FHAB Cc1ccc2c(c1)cc(CN(C(=O)C1CCC1)C1CCCC1)c1nnnn12 1376896 LLEKNFVSICWBGL-UHFFFAOYSA-N 363.465 3.657 0 40 FHAB COCCn1cc(C(=O)N2CCO[C@@H](c3ccccc3)C2)c2ccccc21 79486352 KYAZMGDOBYNQAB-OAQYLSRUSA-N 364.445 3.501 0 40 FHAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN(c2ncccn2)C1 1357785 SJPDDKGWMSWGQM-LLVKDONJSA-N 351.237 3.639 0 40 FHAB CCCCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3ncnn32)cc1 4342126 NVFWJTVITMDOIM-SFHVURJKSA-N 370.453 3.698 0 40 FHAB COc1ccccc1-c1ccc(SCC(=O)NC2CCCCC2)nn1 4356133 JWDRBCDNEHZXIR-UHFFFAOYSA-N 357.479 3.693 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)Nc2ccc(N3CCCC3=O)cc2)c(C)c1 12563187 FUNXSANQDCTJGW-INIZCTEOSA-N 351.450 3.869 0 40 FHAB O=C(COC(=O)c1csc(-c2ccsc2)n1)NC1CCCCCC1 25184238 GJFGWENRFAXYQD-UHFFFAOYSA-N 364.492 3.867 0 40 FHAB CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(C)c(Cl)c2)cc1 6276112 OVCNISCPNLACTR-UHFFFAOYSA-N 361.854 3.734 0 40 FHAB CC(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4N(CCO)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 6363638 JLCADYKUNFKFDQ-GARQETNWSA-N 359.510 3.543 0 40 FHAB CCc1cc(C(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)sc1C 12534325 RJGHSGQBPWMWDB-UHFFFAOYSA-N 374.481 3.923 0 40 FHAB Cc1cc(NC(=O)COc2ccc(F)cc2)n(Cc2ccc(F)cc2)n1 1430015 JHYSGLIBLFYFLJ-UHFFFAOYSA-N 357.360 3.536 0 40 FHAB C[C@@H](C(=O)Nc1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1 57292134 BAVURJAIMYWTSI-AWEZNQCLSA-N 361.848 3.628 0 40 FHAB ClC1(Cl)C[C@@H]1CSc1nnc([C@H]2COc3ccccc3O2)o1 26436931 PTZDRCMYPHRGKQ-LDYMZIIASA-N 359.234 3.868 0 40 FHAB Cc1cccc(Cn2cccc(C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c2=O)c1 108068615 LONFNIJLAAEPRS-QRKMNUTDSA-N 364.489 3.760 0 40 FHAB COc1ccc(-c2cc(C(=O)NC[C@H](C)c3ccccc3)n[nH]2)c(OC)c1 57477348 KELACXKDYZGPTF-AWEZNQCLSA-N 365.433 3.627 0 40 FHAB COc1ccc(C)cc1N[C@@H](C)C(=O)c1ccc2c(c1)CCN2C(C)=O 12516113 QTYKISNXFWWINB-AWEZNQCLSA-N 352.434 3.596 0 40 FHAB CCCOc1c(Cl)cc(C(=O)N[C@H]2CCCC[C@H]2O)cc1OCC 84756771 NDNHHLYLKCNYKZ-LSDHHAIUSA-N 355.862 3.561 0 40 FHAB Cc1ccc(NC(=O)c2nc(NCc3cccnc3)ncc2Cl)cc1 8845973 AZDAXPDFVXMNOW-UHFFFAOYSA-N 353.813 3.698 0 40 FHAB C[C@H](C(=O)Nc1cccc(NC(=O)c2ccc(F)cc2F)c1)n1cccn1 27126969 KAIHHKGFBMCLQN-GFCCVEGCSA-N 370.359 3.613 0 40 FHAB C[S@](=O)Cc1cccc(C(=O)N[C@H]2CCSc3c(F)cccc32)c1 95347440 KKFHAZJMIPLJGG-UPCLLVRISA-N 363.479 3.671 0 40 FHAB O=C(NCCc1ccc(-n2cccn2)cc1)c1cccc(Br)c1 10222062 VCQULLJSDUTEFZ-UHFFFAOYSA-N 370.250 3.607 0 40 FHAB O=C(Nc1ccc(OC(=O)C2CCOCC2)cc1)c1ccccc1Cl 28341657 VKYINQZOYQEPAV-UHFFFAOYSA-N 359.809 3.924 0 40 FHAB Cc1nc(-c2ccc(CNc3cc(=O)n4ccccc4n3)s2)cs1 10996279 DBDRZPOZAWIRDD-UHFFFAOYSA-N 354.460 3.800 0 40 FHAB Cc1cc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)no1 36441051 VMRPTRQULOGINF-KRWDZBQOSA-N 359.476 3.692 0 40 FHAB CC(=O)Nc1ccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1 2324414 PFFQHZXKKZNLAF-UHFFFAOYSA-N 364.405 3.575 0 40 FHAB C[C@H](Cc1cc(O)n2ncc(-c3ccccc3)c2n1)n1nnc2ccccc21 100732733 MAHWUVJAFVXYTF-CQSZACIVSA-N 370.416 3.650 0 40 FHAB O=C(OCCOc1ccc(Br)cc1)c1ccc(Cl)nc1 2632966 BXTANDCLSDKDFO-UHFFFAOYSA-N 356.603 3.733 0 40 FHAB CCCOc1ccc(-c2nonc2NC(=O)c2ccccc2OC)cc1 12062633 GGTAYTQZUDHUGI-UHFFFAOYSA-N 353.378 3.786 0 40 FHAB CC(=O)N[C@H](CC(=O)OCc1cc(-c2ccccc2)on1)c1cccs1 12176311 UZFFUZBVLGGDBJ-MRXNPFEDSA-N 370.430 3.714 0 40 FHAB COCCCN1COc2ccc3c(=O)c(-c4ccccc4F)coc3c2C1 54333082 OSBQLQDGOUJNGV-UHFFFAOYSA-N 369.392 3.788 0 40 FHAB biogenic COc1ccc(C(=O)NCCNC(=O)Nc2c(C)cccc2C(C)C)cc1 47337075 AWPFCHGBXULLBL-UHFFFAOYSA-N 369.465 3.679 0 40 FHAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(I)cn1 103247970 DYIVZUPQLFGAAK-UHFFFAOYSA-N 372.593 3.521 0 40 FHAB COC(=O)C[C@@H](NC(=O)c1csc(-c2cccs2)n1)c1ccccc1 12878550 IEULCEYMSJGZOG-CYBMUJFWSA-N 372.471 3.906 0 40 FHAB O=C(c1cnc(-c2ccccc2)nc1)c1cc(Br)ccc1O 12810084 PDJODBMBAMYOAR-UHFFFAOYSA-N 355.191 3.843 0 40 FHAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc2ccccc2n1 3513744 IQWBWLFGOYZQAW-UHFFFAOYSA-N 354.793 3.992 0 40 FHAB CCCn1c(SCc2nccn2C(F)F)nc2ccccc2c1=O 9115010 KVNXAUANOYMIJF-UHFFFAOYSA-N 350.394 3.690 0 40 FHAB O[C@@H](COc1c(Cl)cccc1Cl)CN1CCc2ccccc2C1 12904173 ZKNXELADMUUNSD-OAHLLOKOSA-N 352.261 3.791 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)CCN1C(=O)[C@H](C)Oc2ccccc21 12911428 ZYMBNDAVOQVPRO-ZDUSSCGKSA-N 358.825 3.791 0 40 FHAB CCCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)n[nH]c1=O 13063075 XWOWPSRMWSIHFJ-UHFFFAOYSA-N 353.447 3.623 0 40 FHAB COc1ccc([C@H](CNC(=S)NC2CCCCC2)N2CCCC2)cc1 13042398 VCJVQENYTPFXDN-IBGZPJMESA-N 361.555 3.629 0 40 FHAB C[C@@H](N[C@H]1CC(=O)N(c2ccccc2)C1=O)C12CC3CC(CC(C3)C1)C2 4019482 SLMWKNYKHBTVTM-SNHMRICDSA-N 352.478 3.513 0 40 FHAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(Cl)c2)NC(=S)N1 4185187 ZCKHKOVVOKWQEC-QGZVFWFLSA-N 372.877 3.876 0 40 FHAB O=C1CCc2cc(C(=O)Nc3cc4c(cc3Cl)OCCCO4)ccc2N1 9254370 MGMXJRYPWSVUJD-UHFFFAOYSA-N 372.808 3.638 0 40 FHAB CCCCC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)s1 9224803 FYECZEFRIBXUMV-AWEZNQCLSA-N 372.494 3.804 0 40 FHAB Cc1cc(C2=NN=C(NCc3ccc4c(c3)OCO4)SC2)c(C)s1 9217554 VFJOVXICTVMKQK-UHFFFAOYSA-N 359.476 3.690 0 40 FHAB O=C1N[C@H](/C=C\c2ccc3c(c2)OCO3)Nc2sc3c(c21)CCCC3 13940409 LNCSAIYNAFILDP-IOBAAEILSA-N 354.431 3.550 0 40 FHAB O=C(CSc1ccc2c(c1)OCCCO2)N1CCCc2ccccc21 5365871 OBHRFAUWTXTBPG-UHFFFAOYSA-N 355.459 3.919 0 40 FHAB CCOc1ccccc1OCC(=O)NCc1ccc(-c2csc(C)n2)o1 14159715 OEJBZVCTQUXHAA-UHFFFAOYSA-N 372.446 3.805 0 40 FHAB C[C@@H](NC(=O)Cn1c(-c2cccs2)n[nH]c1=S)c1cccs1 14187964 SAEISYXDHBUIPM-SECBINFHSA-N 350.494 3.608 0 40 FHAB CC(=O)N1[C@H](c2ccc(C)cc2)SC[C@H]1C(=O)NCc1ccc(C)cc1 4699336 UBTWNHHBEBKBTA-FPOVZHCZSA-N 368.502 3.582 0 40 FHAB O=C(COc1ccc(F)c(Cl)c1)Nc1ccc2c(c1)OCCCO2 5616530 JMVLJOABUIEPOD-UHFFFAOYSA-N 351.761 3.658 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 4975613 VKKYZPJLWXCQON-CQSZACIVSA-N 372.852 3.957 0 40 FHAB CC(C)c1ccc(NC(=O)[C@H](C)N(C)C[C@@H]2COc3ccccc3O2)cc1 7267162 UNLXENVQPRVAJI-QFBILLFUSA-N 368.477 3.909 0 40 FHAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccc(O)cc1 7538479 FOPJFJWZHLMUMI-UHFFFAOYSA-N 351.431 3.825 0 40 FHAB COc1cc(Cl)ccc1C(=O)N1CCN(c2ccccc2Cl)CC1 72331360 WMGTWOVLTFFCOV-UHFFFAOYSA-N 365.260 3.964 0 40 FHAB CC(=O)c1ccc(-c2ccc(C(=O)NCc3nc4ccccc4[nH]3)o2)cc1 16047236 LVVJGMFERBSZSJ-UHFFFAOYSA-N 359.385 3.956 0 40 FHAB CCN(Cc1ccc(Cl)s1)C(=O)COc1ccccc1NC(C)=O 7895563 BUVDFJSEQDVIBE-UHFFFAOYSA-N 366.870 3.787 0 40 FHAB O=C(Cn1ccc(C(F)(F)F)n1)N[C@H](c1ccc(Cl)cc1)C1CC1 8271232 SXSZFMCQXWOCDJ-HNNXBMFYSA-N 357.763 3.823 0 40 FHAB COC(=O)c1cc(OC)c(OC)cc1NCc1c(F)cccc1Cl 8393607 JLPYTVIFXUZWCB-UHFFFAOYSA-N 353.777 3.895 0 40 FHAB Cc1ccc2oc(C(=O)NCCCCOc3ccc(F)cc3)cc(=O)c2c1 9513809 PFDWDUPLQYZQMY-UHFFFAOYSA-N 369.392 3.830 0 40 FHAB Cn1ccnc1Sc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccnc2)cc1 84331711 KFAJQMLQNAMIRR-IAGOWNOFSA-N 350.447 3.709 0 40 FHAB CCOC(=O)C1=C(C)N(CCc2cccs2)C(=O)N[C@H]1c1ccccc1 71890895 MSKMIJQDLXQPAN-SFHVURJKSA-N 370.474 3.894 0 40 FHAB O=C1OC(c2ccc(OC(F)F)cc2)=N/C1=C/C1=Cc2ccccc2OC1 96935668 FFJONWZXGWWRJZ-MHWRWJLKSA-N 369.323 3.951 0 40 FHAB C[C@@H](CC1CCOCC1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 95995889 PFOMGEWYUKZWKV-SJCJKPOMSA-N 371.308 3.894 0 40 FHAB CN(C)S(=O)(=O)c1ccc(CS[C@@H]2CCCc3ccccc32)o1 89322627 CGYADKNXJAZPDI-MRXNPFEDSA-N 351.493 3.841 0 40 FHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc2c(s1)CCC2 9954323 UPRCDFYJHBKREB-UHFFFAOYSA-N 351.475 3.754 0 40 FHAB O=C(NC(=S)Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(F)cc1 20457092 SPNWAIQNMXILBB-UHFFFAOYSA-N 370.405 3.705 0 40 FHAB CCCc1noc(CCC(=O)N2CCSc3ccc(Cl)cc32)n1 75536254 YSHFTRHAMHZKMY-UHFFFAOYSA-N 351.859 3.747 0 40 FHAB O=C(COc1ccccc1)NC[C@H](c1cccs1)N1CCCCCC1 27584235 NQPCVYVELNATOU-GOSISDBHSA-N 358.507 3.860 0 40 FHAB CCn1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)c(=O)c2cc(OC)ccc21 22606048 OMMABZVJCWGTRN-ZDUSSCGKSA-N 368.408 3.660 0 40 FHAB O=C(NCCc1ccc(CCNC(=O)c2ccccc2)cc1)c1ccccc1 3845567 QUGCNWDBVRHBQE-UHFFFAOYSA-N 372.468 3.632 0 40 FHAB biogenic Cc1cc2c(c(=O)n1C)[C@@H](c1ccc(-c3ccccc3F)o1)CC(=O)O2 524735352 WRVKPKVNSZQARX-CYBMUJFWSA-N 353.349 3.534 0 40 FHAB CC1(C)CO[C@H](CC(=O)Nc2ccc(-n3cnc4ccccc43)nc2)C1 1532769778 VTTUMEFTWYGYDP-OAHLLOKOSA-N 350.422 3.564 0 40 FHAB O=C(COc1cccc2ccccc12)NCc1ccccc1-n1ccnc1 30863949 JWTJJFRUPUJMIK-UHFFFAOYSA-N 357.413 3.721 0 40 FHAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1ccccc1Cl)CC(=O)N2 32073205 USBUJBFBTQDYPC-NSHDSACASA-N 374.231 3.752 0 40 FHAB CCc1ccccc1-n1ncc2c1N=C(O)C[C@]21C(=O)N(C)c2ccccc21 32102984 PSMGUOLVVNXUHA-JOCHJYFZSA-N 372.428 3.689 0 40 FHAB O=C(c1cccnc1)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 72362084 YKQRZHOGMIGOKP-QGZVFWFLSA-N 360.417 3.684 0 40 FHAB CC(C)N1CCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 72216461 WHBKVIBZPMSGON-GOSISDBHSA-N 374.529 3.684 0 40 FHAB O=C(COc1cccc(-c2nnco2)c1)Nc1cccc(C(F)(F)F)c1 31611652 NPMHCHCZFASYCR-UHFFFAOYSA-N 363.295 3.773 0 40 FHAB CC(=O)Nc1cc(Cl)ccc1OS(=O)(=O)c1ccc(F)c(C)c1 72414594 UYLKCPOUROAWHH-UHFFFAOYSA-N 357.790 3.514 0 40 FHAB Cc1cc(Oc2ccccc2F)nc([C@@H]2CCCN(C(=O)C3CC3)C2)n1 72362029 WZHPNFMQXYOGFB-OAHLLOKOSA-N 355.413 3.832 0 40 FHAB CC(C)Oc1cccc(NC(=O)c2cccc(CN3CCOCC3)c2)c1 30758512 MCXJNTZCJBIOSL-UHFFFAOYSA-N 354.450 3.558 0 40 FHAB COc1cccc(-c2noc(CCC(=O)Nc3cc(C)cc(C)c3)n2)c1 41185353 WXZKIIHAXHCKLG-UHFFFAOYSA-N 351.406 3.933 0 40 FHAB COc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1Cl 224090828 HYLVBVAXUKDLCL-VMPITWQZSA-N 370.880 3.820 0 40 FHAB CC(C)(C)CC(C)(C)NC(=O)CCCN(c1ccccc1)S(C)(=O)=O 224624540 VIVDRHQRYDDMFI-UHFFFAOYSA-N 368.543 3.564 0 40 FHAB CC1(C)OC[C@H]2C[C@@]21NC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 528874795 IGJVONTUHNEJHU-KZULUSFZSA-N 361.442 3.562 0 40 FHAB O=S(=O)(Cc1ccc(Cl)cc1)NCc1cccc(C(F)(F)F)c1 225119252 XYBMUXYPFRWRLZ-UHFFFAOYSA-N 363.788 3.978 0 40 FHAB COCCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222610816 JODIEFLECAOFNF-GDIGMMSISA-N 370.522 3.736 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C 223194965 FOUVSSGTUKXNFG-IBGZPJMESA-N 372.896 3.744 0 40 FHAB CCOCc1cc(C(=O)Nc2ccccc2C(=O)OC)ccc1OCC 224697435 ZITTWKXGNVQOIC-UHFFFAOYSA-N 357.406 3.661 0 40 FHAB CC[C@H](Oc1ccccc1OC)C(=O)NCCOc1ccc(C)cc1C 224614276 FUBGBIXWWQCXLT-KRWDZBQOSA-N 357.450 3.665 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cnn(C4CCCC4)c3C)cn2)n1 192742792 VTHHVRMDDGVSEH-UHFFFAOYSA-N 364.453 3.756 0 40 FHAB FC(F)(F)c1cnc([C@@H]2CCCN(c3ncnc4ccsc34)C2)[nH]1 581899688 ZPYPHNULCNGLEM-SECBINFHSA-N 353.373 3.817 0 40 FHAB Cc1ccc(CN2CCC3(CC2)C[C@H](N(C)Cc2cccnc2)CO3)s1 96047984 LXYQRERNWLVSLS-IBGZPJMESA-N 371.550 3.707 0 40 FHAB O=C(O)[C@H](c1ccccc1C(F)(F)F)N1CC[C@H](c2cccnc2)C1 583818342 XROIIRLKYMNEED-BBRMVZONSA-N 350.340 3.716 0 40 FHAB O=C1CCNC(=O)C1(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 98213558 OOKKZVDVIYMBLZ-UHFFFAOYSA-N 362.256 3.854 0 40 FHAB Nc1c2c(nc3c1cnn3-c1ccccc1)C[C@@H](c1ccccc1)CC2=O 584906206 LSOASNOSLVFJGX-OAHLLOKOSA-N 354.413 3.915 0 40 FHAB Cc1cc(-c2nc(C)c[nH]2)nc([C@@H]2CCCN2C(=O)c2cccs2)n1 257268208 MKSJEKFNINKLNQ-AWEZNQCLSA-N 353.451 3.522 0 40 FHAB CCc1nc2ccc(Cl)cn2c1C(=O)Nc1cc(CO)c(C)cc1C 644078339 AFMOJEICHGDTGG-UHFFFAOYSA-N 357.841 3.912 0 40 FHAB Cc1nnc(CN(C)C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)s1 660657463 QHWFPUCOYOMXBN-GFCCVEGCSA-N 371.293 3.982 0 40 FHAB c1cncc(O[C@H]2CSC3(C2)CN(Cc2ccc4ccccc4n2)C3)c1 585105553 ZMVXYOSDDGCCIX-LJQANCHMSA-N 363.486 3.769 0 40 FHAB CC[C@H](C(=O)Nc1cccc(C)c1C)n1ncc(-c2ccccc2)nc1=O 44804019 TWPKMEQKCLAUCO-LJQANCHMSA-N 362.433 3.512 0 40 FHAB Cc1cccc(CN2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)c1 1615126970 BPEATXKZYMAIRQ-QFIPXVFZSA-N 368.452 3.532 0 40 FHAB O=C1CO[C@@]2(CCCN(Cc3ccsc3)CC2)CN1c1ccc(F)cc1 1615123482 RZQBCGYHNXISOB-HXUWFJFHSA-N 374.481 3.675 0 40 FHAB Cc1nc2ccccc2n1CCNC(=O)c1cccnc1Oc1ccccc1 12507454 HZRHNHUOFIWQBZ-UHFFFAOYSA-N 372.428 3.962 0 40 FHAB CCn1c(=O)c2ccccc2n2c(CNc3c(C)cc(C)cc3C)nnc12 12537580 JXNSSXJPVHSKEI-UHFFFAOYSA-N 361.449 3.601 0 40 FHAB Oc1cc(-c2ccccn2)nc(C2CCN(Cc3ccccc3F)CC2)n1 13266964 HYZKMJXRGVACRT-UHFFFAOYSA-N 364.424 3.763 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1C 14009898 SEBWWQXHDKRYAN-GOSISDBHSA-N 354.450 3.931 0 40 FHAB Cc1nc(C)n([C@H](C)CC(=O)N[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)n1 19285673 PUBWDZHSCNWRTH-ZLICUJJFSA-N 366.509 3.935 0 40 FHAB O=c1cc([C@H]2CCCCN2Cc2ccc(F)cc2)nc(-c2cccnc2)[nH]1 19340874 ZXJLUBMIHQYAGN-LJQANCHMSA-N 364.424 3.698 0 40 FHAB Cc1noc2nc(C3CCN(C(=O)[C@H]4C[C@H]4C)CC3)cc(C(F)(F)F)c12 19564521 LWOPAZZMHJFVIH-SKDRFNHKSA-N 367.371 3.912 0 40 FHAB Cc1c(NC(=O)[C@H](C)Oc2ccc(F)cc2)cccc1C(=O)N1CCCC1 19661378 HWTNQDRPFBAQHP-HNNXBMFYSA-N 370.424 3.776 0 40 FHAB CCN(C)[C@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C2(CCCCC2)C1 19704925 ZQUXULVJBUAHBK-GOSISDBHSA-N 353.510 3.966 0 40 FHAB O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cn2cc(Cl)ccc2n1 19716758 HOMSDBVFGGCKMX-UHFFFAOYSA-N 369.787 3.624 0 40 FHAB CCN(CC(=O)Nc1c(C)cccc1C(C)C)S(=O)(=O)c1ccccc1 5979177 JNAXCQWBDCAXSE-UHFFFAOYSA-N 374.506 3.768 0 40 FHAB COc1ccccc1[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)N(C)C 14163082 UNUGODZJUQFFCT-INIZCTEOSA-N 366.383 3.747 0 40 FHAB O=C(c1sccc1F)N1CCC[C@@]2(CCCN(Cc3cccnc3)C2)C1 2056223295 DQUUBRVYOAYOMW-HXUWFJFHSA-N 373.497 3.801 0 40 FHAB Cc1ccc(C(=O)N2[C@H](c3ccccc3Cl)SC[C@H]2C(=O)O)cc1 3620468 BDCKQLQRWJGVHI-RDJZCZTQSA-N 361.850 3.989 0 40 FHAB Cc1cccc(NC(=S)NCCc2cc3ccc(C)cc3[nH]c2=O)c1 4225288 UHXZRXFNLXZCGI-UHFFFAOYSA-N 351.475 3.674 0 40 FHAB CO[C@](F)(C(=O)Nc1cccn2cc(-c3ccccc3)nc12)C(F)(F)F 4576385 DFTVEUTWYNYADR-MRXNPFEDSA-N 367.302 3.814 0 40 FHAB CCOc1ccc(-c2ccc3nnc(SCc4cccnc4)n3n2)cc1 5141879 HAGOWEAORGSLPT-UHFFFAOYSA-N 363.446 3.877 0 40 FHAB COC(=O)Cn1/c(=N/C(=O)c2ccc(C)c(C)c2)sc2cc(C)ccc21 100876050 LDCZBJJPCGEYGF-MRCUWXFGSA-N 368.458 3.542 0 40 FHAB CC1CCN(CC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)CC1 32510548 UVTYBRSDPCVLAM-MRXNPFEDSA-N 357.479 3.751 0 40 FHAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccnn1Cc1ccccc1 32768947 JLJNGBZPHPMLIH-UHFFFAOYSA-N 365.481 3.582 0 40 FHAB Cc1cccc(-c2nnc(S[C@H](C)C(N)=O)n2[C@H]2CCCC[C@H]2C)c1 102341652 GWDOEDRZENBCCR-FMKPAKJESA-N 358.511 3.971 0 40 FHAB CC1CCC(NC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)CC1 32862775 NWBLTJDSTBRYEH-UHFFFAOYSA-N 357.498 3.691 0 40 FHAB C=C1c2ccccc2C(=O)N1CC(=O)NCCc1cccc2ccccc12 41421363 KMBKUDNXYXEDSC-UHFFFAOYSA-N 356.425 3.625 0 40 FHAB COC(=O)COc1ccc2cc(Br)ccc2c1Br 674692 PFOVYWGGFVBCEX-UHFFFAOYSA-N 374.028 3.917 0 40 FHAB CCCN1CCN(CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)CC1 22877324 UDAUBGVAJZZYIO-LJQANCHMSA-N 365.521 3.558 0 40 FHAB CN(Cc1ccccc1)[C@H](NC(=O)c1cccs1)C(=O)c1ccccc1 54061431 SZTRKUSRGNABHK-FQEVSTJZSA-N 364.470 3.819 0 40 FHAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc3ccccc3c2)C1)c1ccccc1 837653 MLTPFPAPLDGREF-IBGZPJMESA-N 373.408 3.619 0 40 FHAB O=c1c(-c2nnnn2-c2ccc(-c3ccccc3)cc2)c[nH]c2ccccc12 978383 GGPVZQRCWVNSKB-UHFFFAOYSA-N 365.396 3.838 0 40 FHAB Cc1ccc(-n2ncc3c2ncn2c(CCc4ccccc4)nnc32)cc1C 2327941 BGWJGQYUTFZLGW-UHFFFAOYSA-N 368.444 3.865 0 40 FHAB CSc1nc(NN)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4 2446541 YHQGSYSPZUAFKE-UHFFFAOYSA-N 369.475 3.996 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCN=C2S[C@H](C)c2ccccc2)cc1 2711457 DAXHBRIFQZHSFA-OAHLLOKOSA-N 360.504 3.850 0 40 FHAB CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)O)ccc1Cl 3227277 GLSBVSZRUWIUEL-UHFFFAOYSA-N 360.218 3.517 0 40 FHAB COc1ccc2nc(SCC(=O)NCc3ccc(Cl)cc3)[nH]c2c1 3493568 WPRBUOXZZDHBBZ-UHFFFAOYSA-N 361.854 3.633 0 40 FHAB CC[C@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccc(OC)cc1 3895922 CJDGUAJAZWPYEA-ICIBYLBGSA-N 360.498 3.991 0 40 FHAB CCSc1nnc(NC(=O)CSc2cn(C)c3ccccc23)s1 4059771 MAGINWOBQLDQMQ-UHFFFAOYSA-N 364.521 3.873 0 40 FHAB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@@H]2CC[C@H](C)[C@@H](C)C2)cc1 4066273 IECONGJAZOYYLQ-CLKWJJAWSA-N 372.465 3.691 0 40 FHAB Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)n1-c1ccc(F)cc1 4072967 JNHUHQXCBNCSAN-UHFFFAOYSA-N 372.709 3.538 0 40 FHAB COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc2c(c1)OCCCO2 4540160 XFEIWDFTYNQVOC-UHFFFAOYSA-N 361.781 3.540 0 40 FHAB CC1CCN(C(=O)CSc2nnc3scc(-c4ccccc4)n23)CC1 4967179 QVBTUZPXEHSTNQ-UHFFFAOYSA-N 372.519 3.808 0 40 FHAB CN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3F)=NN12 5093410 ZIRUICNKAAZNRG-LJQANCHMSA-N 351.425 3.791 0 40 FHAB O=C(COc1ccc(Br)cc1CO)Nc1ccc(Cl)cc1 5468345 MJIALNYMXXJAKY-UHFFFAOYSA-N 370.630 3.612 0 40 FHAB O=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(F)c(F)c1 5871688 HAKSLTPNTRNWSB-UHFFFAOYSA-N 370.149 3.557 0 40 FHAB CC(=O)Oc1ccc(C(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1 6186443 BHNFZNBUCBTXBY-UHFFFAOYSA-N 367.184 3.958 0 40 FHAB CC(=O)[C@H]1CC[C@H]2[C@H]3CC=C4N(CCO)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 6363632 JLCADYKUNFKFDQ-CHPFXJTMSA-N 359.510 3.543 0 40 FHAB COc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1 6450443 YTQCXRJTYNSAAP-UHFFFAOYSA-N 354.387 3.800 0 40 FHAB aggregator COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1nc2ccc(C)cc2s1 6815656 BKBGVWMGDDQFAW-MRXNPFEDSA-N 356.403 3.903 0 40 FHAB Cc1ccc(-c2cc(NC(=O)CSc3nnc(C4CC4)o3)on2)cc1 7289846 BYNSCZFPOBEUJO-UHFFFAOYSA-N 356.407 3.641 0 40 FHAB COc1ccc(CCN2C(=O)c3ccccc3N[C@@H]2c2ccncc2)cc1 7884473 VQIBBEPNSXHGOT-NRFANRHFSA-N 359.429 3.899 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1 8160855 LPGREAKDPYLYAB-UZLBHIALSA-N 355.434 3.959 0 40 FHAB O=C(O)COc1ccc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)cc1 8179759 KFPDFEPNFUYICT-ODLFYWEKSA-N 373.364 3.648 0 40 FHAB Cc1noc(C)c1S(=O)(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 8719993 ZSOFUUVMPLVZFC-UHFFFAOYSA-N 368.418 3.636 0 40 FHAB CCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(C)s3)ccc21 8840570 WEUIJPANYAAWBM-UHFFFAOYSA-N 364.492 3.547 0 40 FHAB O=C1C[C@H](c2c(F)cccc2Cl)c2c(nc(-c3ccccc3)[nH]c2=O)N1 9137786 GMHCTELWOMQCOJ-LLVKDONJSA-N 369.783 3.704 0 40 FHAB C[C@H](OC(=O)c1ccoc1)C(=O)Nc1ncc(C(F)(F)F)cc1Cl 9513377 NAJSRDLYIYJPHX-ZETCQYMHSA-N 362.691 3.531 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)Nc3nc4ccc(C)cc4s3)CC2=O)cc1 9582140 AITPLIVYQXCFGR-CQSZACIVSA-N 365.458 3.905 0 40 FHAB CCOc1ccc(-c2cc(C(=O)Nc3ccccc3C(=O)OC)no2)cc1 11916973 ZQWNMBUSIPNJIU-UHFFFAOYSA-N 366.373 3.779 0 40 FHAB Cc1nccn1[C@H](C)CC(=O)N[C@H](Cc1ccsc1)c1nccs1 12087881 CLPMEVFGMCDBIQ-IUODEOHRSA-N 360.508 3.761 0 40 FHAB O=S(=O)(N[C@@H](Cc1ccsc1)c1ccccn1)c1ccc(F)cc1 12229319 LHRYRGUHZUVCIY-KRWDZBQOSA-N 362.451 3.545 0 40 FHAB O=C1Oc2ccccc2[C@@H]2c3sc(=O)[nH]c3S[C@H](c3ccccc3)[C@@H]12 12284778 QBSQXDUSRCMDLO-SOUVJXGZSA-N 367.451 3.951 0 40 FHAB Cc1cc2oc(C(=O)N(C)[C@@H](C)Cc3ccccn3)cc(=O)c2cc1C 12290396 KWIATKZHDHFAFV-HNNXBMFYSA-N 350.418 3.508 0 40 FHAB Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1 12293462 GHBIVWOYBSZXEM-VQTJNVASSA-N 371.452 3.518 0 40 FHAB O=C(COc1ccc2ccccc2c1)NCCCOc1ccccc1F 12392093 SOFGBJIHQQLBOL-UHFFFAOYSA-N 353.393 3.943 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccncc2)N1Cc1ccccc1 12522422 OYOHCIOLPPYRQO-FQEVSTJZSA-N 368.392 3.933 0 40 FHAB CCc1sc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1C 12543005 CTRPXWAQSJWLRW-UHFFFAOYSA-N 357.523 3.931 0 40 FHAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)c3nc4ccccc4[nH]3)c12 12602916 KOHWXEAKSWSKHV-NSHDSACASA-N 361.405 3.776 0 40 FHAB Cc1ccc(NC(=O)c2cccnc2SCc2c(C)noc2C)nc1 12741595 WOROOCWFNBABAF-UHFFFAOYSA-N 354.435 3.934 0 40 FHAB O=C(NCc1cccc(Cl)c1)NCc1cccc(NC(=O)C2CC2)c1 12750462 DXJHRKGVAPMXSO-UHFFFAOYSA-N 357.841 3.688 0 40 FHAB CC(C)N1CCC(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 12789691 YSGVRAXNENQJPC-UHFFFAOYSA-N 365.477 3.542 0 40 FHAB CC[C@@H]1c2ccsc2CCN1C(=O)COc1ccc(C(C)=O)cc1OC 12908323 PBLNMVXBHQNZIS-MRXNPFEDSA-N 373.474 3.874 0 40 FHAB Cc1cc(C)c(OCC(=O)NCc2cccc(NC(=O)C3CC3)c2)c(C)c1 12911578 WTADMAKLDHZHIF-UHFFFAOYSA-N 366.461 3.656 0 40 FHAB CCOc1cc2c(cc1NC(=O)c1ccc(NC(C)=O)cc1)O[C@@H](C)C2 12982279 NHDHEVSLAKQKCC-LBPRGKRZSA-N 354.406 3.619 0 40 FHAB O=C(c1ccccc1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 13465327 PECCQWGBKNHWQB-UHFFFAOYSA-N 369.424 3.766 0 40 FHAB CSc1nnc(S[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)s1 14093374 DALGKHBQPIBPEV-QWRGUYRKSA-N 353.538 3.661 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)CN[C@@H](C)c1ccc(CC)cc1 14185773 HMUGHDYTAKDWQU-HNNXBMFYSA-N 354.450 3.715 0 40 FHAB NC(=O)CSc1ccccc1C(=O)Nc1ccc(C(F)(F)F)cc1 14240299 CSBRJKQVGWOCKF-UHFFFAOYSA-N 354.353 3.535 0 40 FHAB Cc1cc2nnc(SCN3C(=O)c4ccccc4C3=O)n2c2ccccc12 16049539 ACITUOVPSFIBEE-UHFFFAOYSA-N 374.425 3.537 0 40 FHAB C[C@@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccc(-n2ccnc2)cc1 18048784 JPGAMBDDWMXFDL-BFUOFWGJSA-N 367.836 3.707 0 40 FHAB CNC(=O)[C@]1(Cc2cc(C(C)C)no2)CCN(c2ccc(Cl)cc2)C1 19704891 FRHKUVQZJTXUOX-IBGZPJMESA-N 361.873 3.637 0 40 FHAB CC(C)(C)[C@H]1CCc2onc(C(=O)N3CCC(N4CCCC4)CC3)c2C1 19715625 FBPKUELOFYCLFN-HNNXBMFYSA-N 359.514 3.526 0 40 FHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCc2ccccc21 20038121 YAOYFHBGSJZUFU-OAHLLOKOSA-N 358.869 3.676 0 40 FHAB CS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2)cc1Cl 20105284 HMYHNTZARGEQSK-UHFFFAOYSA-N 359.234 3.617 0 40 FHAB COc1ccc(NC(=O)COc2ccc(C)cc2)cc1-c1ccc(CO)o1 20143799 LNHKTUPCYQHABB-UHFFFAOYSA-N 367.401 3.773 0 40 FHAB NC(=O)NCc1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 20929194 CNBYASJYICDJHR-UHFFFAOYSA-N 357.413 3.678 0 40 FHAB COC(=O)CS[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 21141295 VLNRMXINPHLPLN-SSDOTTSWSA-N 355.765 3.592 0 40 FHAB Cc1csc(N(C(=O)CCNC(=O)c2ccco2)c2ccccc2)n1 21362001 MGHRIFBAFWSMBX-UHFFFAOYSA-N 355.419 3.529 0 40 FHAB CN(C)c1cccc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)c1 22418018 AQTRESAFWXCIFQ-UHFFFAOYSA-N 352.356 3.624 0 40 FHAB COc1cc(OC)c(OC)cc1CNCc1ccccc1Br 22793196 IYYLAUAKXCCHCJ-UHFFFAOYSA-N 366.255 3.765 0 40 FHAB CN(C)C(=O)COc1ccc(NC(=O)c2cc3c(F)cccc3s2)cc1 23136869 WECASYFXLIIKSD-UHFFFAOYSA-N 372.421 3.760 0 40 FHAB COCC(=O)Nc1ccc(NC(=O)c2cccc3c(C)c(C)[nH]c23)cc1 24877572 PZXMDMNCSHYGHE-UHFFFAOYSA-N 351.406 3.622 0 40 FHAB COc1ccc(CNc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc1 25067039 XGOUHYAMWIQYON-UHFFFAOYSA-N 374.487 3.834 0 40 FHAB O=c1/c(=C/c2cccc(Cl)c2)sc2nc(/C=C/c3ccccc3)nn12 27021595 ZLCJPWSCCAQQCM-KDNHCMJDSA-N 365.845 3.523 0 40 FHAB COc1ccc([C@H](CNC(=O)c2cccc(C)c2)N2CCCCC2)cc1 27667836 CSPISBMLWUYQLR-NRFANRHFSA-N 352.478 3.961 0 40 FHAB biogenic CC[C@@H](NC(=O)C1CCN(c2ccc(Cl)nn2)CC1)c1ccc(C)cc1 28094774 WAUMULXYXVCTJQ-QGZVFWFLSA-N 372.900 3.922 0 40 FHAB CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc[n+]([O-])c3)n2)cc1 29114437 PXCMVVIWBJWBFT-UHFFFAOYSA-N 353.447 3.993 0 40 FHAB COc1cc(NC(=O)Cn2ccc3c(Cl)cccc32)cc(OC)c1OC 32072033 JBLTXIALGWLKRM-UHFFFAOYSA-N 374.824 3.959 0 40 FHAB CC(C)(C)c1nc2cc(NS(=O)(=O)c3cccc(C(=O)O)c3)ccc2o1 32097486 LUPIGFNACCYJRP-UHFFFAOYSA-N 374.418 3.624 0 40 FHAB CC(C)CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3C(C)(C)C)c2ccccc21 32102137 OFAUMQZCUNZTCA-NRFANRHFSA-N 366.465 3.919 0 40 FHAB CCN(Cc1nonc1C)C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 32611109 VKKVDDSVEZLZJF-JTQLQIEISA-N 358.225 3.501 0 40 FHAB O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cncn1-c1ccc(F)cc1 32907730 DQNZJTSVSLSEKQ-WCQYABFASA-N 355.335 3.862 0 40 FHAB COc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1OCc1cccnc1 32911938 VYUGYQZXJKPKMO-UHFFFAOYSA-N 374.400 3.798 0 40 FHAB CC(C)N(CCSc1nc2c3ccccc3nc(S)n2n1)C(C)C 32934923 OWUOHDWZUPBOOW-UHFFFAOYSA-N 361.540 3.777 0 40 FHAB CCOc1ccc(-c2cc3n(n2)S[C@@H](NCc2ccccc2)N3)cc1 35148198 HVENAWCHDNTSEQ-IBGZPJMESA-N 352.463 3.944 0 40 FHAB O=C(NC1CCN(C(=O)C2CC2)CC1)c1ccc(-c2ccc(F)cc2)s1 40051124 NWBJZFKQLOZYRR-UHFFFAOYSA-N 372.465 3.685 0 40 FHAB Cc1cc(C(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)on1 40108137 QYFZJCSCPGVFSC-QGZVFWFLSA-N 367.474 3.574 0 40 FHAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccc(N(C)C)cc1 40108780 SDFCTIIIOVZITC-UHFFFAOYSA-N 362.477 3.609 0 40 FHAB C[C@@H]1CN(c2ccc(NC(=O)OCC(F)(F)F)cc2F)C[C@@H](C)O1 40158832 WZBWMFIICCROCS-NXEZZACHSA-N 350.312 3.550 0 40 FHAB in-vitro CC1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 42646671 YUXNBJBZLXHBAA-UHFFFAOYSA-N 362.779 3.992 0 40 FHAB COC(=O)[C@@H]1CC(=O)N(c2cc(-c3nc4ccccc4o3)ccc2Cl)C1 45887458 FDUGIIMLJCHWQD-GFCCVEGCSA-N 370.792 3.674 0 40 FHAB CC1(C)Oc2ccc(NC(=O)CCc3nnc(-c4ccsc4)o3)cc2O1 47285611 NRJQJXRGXBNUJP-UHFFFAOYSA-N 371.418 3.877 0 40 FHAB Cc1nc(COc2ccc(C(=O)N3CCC[C@@H]4CCCC[C@H]43)cc2)no1 48333550 YZPLICQMKMMISO-MAUKXSAKSA-N 355.438 3.752 0 40 FHAB C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NCCCn1cccn1 48363849 UBALTJGONOLJHU-NSHDSACASA-N 358.294 3.877 0 40 FHAB Cc1c(C(=O)N[C@H](C(N)=O)c2ccccc2)oc2c1ccc1ccccc12 53944918 XNGKFQJDHODOCF-SFHVURJKSA-N 358.397 3.851 0 40 FHAB COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc(NC(C)=O)cc1 54845725 LQMKDZFMKHNBDN-GFCCVEGCSA-N 372.446 3.551 0 40 FHAB O=C(CNc1cccc(-c2ccc(Cl)c(Cl)c2)c1)N1CCNC1=O 55891124 SGTIYEOBBOTCPV-UHFFFAOYSA-N 364.232 3.624 0 40 FHAB O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)N1CCc2ccccc2C1 60127571 URXHVDKOPULUFX-HNNXBMFYSA-N 371.431 3.559 0 40 FHAB Cc1cc(C(=O)N[C@H](C)Cc2nc3ccccc3s2)c2c(C)noc2n1 63450227 YJHJGRDWFCRBHP-LLVKDONJSA-N 366.446 3.810 0 40 FHAB Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(Cl)ccc3C)n2)cc1 67205765 CLCGOEMXMDXCDX-UHFFFAOYSA-N 367.836 3.819 0 40 FHAB Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCCN2Cc2cccnc2)n1 72376861 HKQSPLVJSPBWQH-IBGZPJMESA-N 363.440 3.987 0 40 FHAB Cc1cc(NC(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)no1 84120110 JLTWXIUYTZSZJL-UHFFFAOYSA-N 357.410 3.735 0 40 FHAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccnn1C[C@H]1CCOC1 84339174 VOBXPVXXCURKEX-CXLRFSCWSA-N 366.248 3.878 0 40 FHAB Cc1nnc(CCCN2CCCN(C(=O)OC(C)(C)C)c3ccccc32)o1 95427857 DIRTWXUFCDRXPY-UHFFFAOYSA-N 372.469 3.962 0 40 FHAB O=S(=O)(c1cc(F)ccc1Cl)N(CC(F)(F)F)c1ccncc1 95466381 JYZLRLPTTVWDNA-UHFFFAOYSA-N 368.739 3.632 0 40 FHAB Cc1cc(C)n(-c2ccncc2NC(=O)c2ccc(Cl)nc2Cl)n1 96230672 LMZITFVUDCLCEV-UHFFFAOYSA-N 362.220 3.838 0 40 FHAB COc1ccccc1CN(C(=O)C1[C@H]2CCCC[C@H]12)C1CCN(C)CC1 100773949 LLMXNIHECUUSQX-OALUTQOASA-N 356.510 3.554 0 40 FHAB CCSc1nc2n(n1)[C@@H](c1ccc(O)c(OC)c1)C1=C(O)CCCC1=N2 102660905 PHYWJCCAEPAINU-INIZCTEOSA-N 372.450 3.776 0 40 FHAB CCc1cccc(C)c1NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1 222475092 NFRRLBYPTBNTBL-UHFFFAOYSA-N 360.479 3.514 0 40 FHAB CC(C)NC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)CCCC2 222543009 VWXNKRBRZWJQOU-UHFFFAOYSA-N 366.461 3.721 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 223681586 UGUAORZOPVLPIM-MRXNPFEDSA-N 372.896 3.744 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1F 224224651 ISXXIMXSPAZSDZ-HXUWFJFHSA-N 370.468 3.620 0 40 FHAB CCCC[C@H](CC)CNC(=O)CCCN(c1ccccc1)S(C)(=O)=O 224624825 RCIPTXLDCDCBIY-KRWDZBQOSA-N 368.543 3.565 0 40 FHAB CC[C@@H]1CCCCN1CCCNC(=O)COc1cccc2c1CCCC2 225875025 SVYJBZXBEDSVSS-LJQANCHMSA-N 358.526 3.715 0 40 FHAB Cc1cc([C@@H]2CCCCN2Cc2cn(C)cn2)nc(-c2c(C)noc2C)n1 257296929 RFAYPLRLWIQNSZ-SFHVURJKSA-N 366.469 3.518 0 40 FHAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3[C@H]4C[C@@H]5OC(=O)[C@@H]3[C@H]5C4)cc2)c1 408654751 GOMGYUNAXYJRAM-JALYJVOISA-N 363.413 3.923 0 40 FHAB Cc1cc(NC(=O)C(=O)NCCC2CCCCC2)ccc1Br 408709631 VQDRKWJBYRLKCB-UHFFFAOYSA-N 367.287 3.783 0 40 FHAB COc1ccc(N(Cc2ccccc2)C(=O)c2ccc3nn[nH]c3c2)cc1 520359759 XWOWOFFEBFRPTA-UHFFFAOYSA-N 358.401 3.814 0 40 FHAB O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1cccc2cc(O)ncc12 528192943 IEVPWANIBUNSCS-DYESRHJHSA-N 362.429 3.838 0 40 FHAB Cc1noc([C@@H]2CCCN([C@H](C(=O)O)c3cccc(Cl)c3Cl)C2)n1 570730132 PKLNMNVANBMOIC-YGRLFVJLSA-N 370.236 3.690 0 40 FHAB CO[C@]1(c2nnc(CN(C)c3ccccc3-c3ccccc3)o2)CCOC1 585088614 JNCKBRVDUJFODT-OAQYLSRUSA-N 365.433 3.635 0 40 FHAB C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1ccncn1 585113701 QNWJQYVHCJHXNL-KRWDZBQOSA-N 365.355 3.613 0 40 FHAB CC(=O)N1CCCC[C@@H]2[C@H]1CCCN2C[C@]1(O)CC[C@@H](C(C)(C)C)CC1 585282245 CDXFGUUVPXFQQD-VMBXEPDQSA-N 364.574 3.819 0 40 FHAB COC(=O)c1cc(CN[C@@H]2C[C@@H](C)Oc3ccccc32)n2c1CCCC2 598643461 CRNSGOPWWBFMTI-RDTXWAMCSA-N 354.450 3.613 0 40 FHAB CCn1nc(C)c(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)c1C 607610870 AQWCNKCUSOLLED-UHFFFAOYSA-N 355.463 3.572 0 40 FHAB CC(C)(C)c1ccc(OCC2CCN(C(=O)CC3CCCC3)CC2)nn1 1775965916 KIWIRYIJPHQOSX-UHFFFAOYSA-N 359.514 3.972 0 40 FHAB CCOP(=O)(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)OCC 1776004471 SENMTVGKUMZYMK-UHFFFAOYSA-N 373.367 3.511 0 40 FHAB COc1ccccc1N1CCN(c2ncc(C(F)(F)F)cc2F)CC1 1888857086 IZEDBZOMUQDDCQ-UHFFFAOYSA-N 355.335 3.575 0 40 FHAB CCc1ccc(C(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)CC2)cc1 2037912050 DSUSGCRVZKYJKU-QFIPXVFZSA-N 371.452 3.824 0 40 FHAB O=C(/C=C/c1ccco1)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O 692312 KZLYSRQPRVKBLO-VAWYXSNFSA-N 358.353 3.732 0 40 FHAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(O)cc2)n1C 899306 KTXYWRMEPZFLIM-UHFFFAOYSA-N 368.462 3.535 0 40 FHAB Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)N3CCCC3)n12 902980 RZROMJWKLOGRPB-UHFFFAOYSA-N 354.479 3.522 0 40 FHAB O=C1C(Cl)=C(Nc2cccc(F)c2)C(=O)N1Cc1ccccc1Cl 938213 VTZLIGXVMVHCAQ-UHFFFAOYSA-N 365.191 3.910 0 40 FHAB CC[C@H](C)NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 2148636 MOMNEJHZRCXDNX-AWEZNQCLSA-N 351.402 3.754 0 40 FHAB biogenic CC(C)Cc1nc2oc3c(NC[C@H](C)O)ncnc3c2c2c1CCCC2 2237961 RMHHBZGONJTIEZ-LBPRGKRZSA-N 354.454 3.641 0 40 FHAB CCCCNC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 2317647 RMTPNWBTUUGDPQ-UHFFFAOYSA-N 373.460 3.745 0 40 FHAB COc1ccc(C(C)=O)cc1C[C@H](C(=O)c1ccc(C)c(C)c1)N(C)C 3339981 BZSMWPDPZNXDIN-HXUWFJFHSA-N 353.462 3.870 0 40 FHAB CCOC(=O)[C@@H](Sc1nncn1-c1ccccc1C)c1ccccc1 3413987 FUFGNGKELGYKND-KRWDZBQOSA-N 353.447 3.972 0 40 FHAB CCc1cc2cc3c(cc2nc1SCC(=O)NC1CCCC1)OCCO3 4849576 AXJYHRPKAWAZQQ-UHFFFAOYSA-N 372.490 3.719 0 40 FHAB COc1ccc(NC(=S)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccco2)cc1 4856881 JXOWKSIRPDGBPA-ALOPSCKCSA-N 371.506 3.770 0 40 FHAB CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc3ccccc3c1)CC(=O)N2 4944285 JQLMTQGCYXKFFM-AWEZNQCLSA-N 351.431 3.509 0 40 FHAB CSc1ncccc1C(=O)OCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 4963835 KPWKBAPGCGFDIN-IJEWVQPXSA-N 365.495 3.964 0 40 FHAB Cc1ccc(-n2c(C)nc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1 4971954 QZGZIROYSKCMFT-UHFFFAOYSA-N 350.809 3.842 0 40 FHAB O=C(COC(=O)c1cc2ccccc2cc1O)Nc1ccc(F)cc1F 5079365 BARKFMDBKMHAGX-UHFFFAOYSA-N 357.312 3.619 0 40 FHAB COc1ccc(C(=O)[C@H](C)Sc2nnnn2-c2c(C)cccc2C)cc1 5169553 ADHLXCDXDSCWRZ-AWEZNQCLSA-N 368.462 3.651 0 40 FHAB Cc1ccc(NC(=O)Cn2nc(-c3ccc(C)c(C)c3)ccc2=O)c(C)c1 5401561 KUUYJFACZVQTPU-UHFFFAOYSA-N 361.445 3.783 0 40 FHAB CCCc1cc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)sc1C 5435587 AYCJYUAEGPGEFD-UHFFFAOYSA-N 360.431 3.820 0 40 FHAB C[C@@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)c1ccccc1 5561538 GYMISQOTHSKEPP-YXKFXFPPSA-N 366.486 3.912 0 40 FHAB COc1ccc(C2=NO[C@@H](COC(=O)c3ccc4ccccc4n3)C2)cc1 5577908 GQAHKIATSJSBMD-QGZVFWFLSA-N 362.385 3.593 0 40 FHAB COc1ccc(CCNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 5917115 AJWCYFHEERHGQP-UHFFFAOYSA-N 360.262 3.523 0 40 FHAB CC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(Cl)cc1Cl 6057291 NVGSLIJYFSABMG-UHFFFAOYSA-N 366.200 3.992 0 40 FHAB Cc1ccn2cc(-c3cccc(S(=O)(=O)N4CCC[C@@H](C)C4)c3)nc2c1 6163808 KVHANWMAAFWQDA-MRXNPFEDSA-N 369.490 3.730 0 40 FHAB CCOc1ccc(-c2nc(O)c3c(n2)Oc2ccccc2C3)cc1OC 6748578 QPMPDXQUPDVQQL-UHFFFAOYSA-N 350.374 3.953 0 40 FHAB CCCN1C(=O)S[C@@H](Cc2cc(Br)ccc2OCC)C1=O 6879223 IEERXTHXEKKTMY-ZDUSSCGKSA-N 372.284 3.864 0 40 FHAB CC(=O)c1cc2c(cc1NC(=O)CCc1c[nH]c3ccccc13)OCO2 6905788 YWGBECCCLPWKPE-UHFFFAOYSA-N 350.374 3.671 0 40 FHAB CCOC(=O)[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 7016400 CDMPLPWGPGXJHD-IBGZPJMESA-N 366.461 3.714 0 40 FHAB C[C@H]1Cc2cc(-c3csc(-c4ccccn4)n3)ccc2N1S(C)(=O)=O 7274339 KNHYHMNKCVXJDT-LBPRGKRZSA-N 371.487 3.583 0 40 FHAB O=C(Nc1ccc2c(c1)OCCO2)c1cc(F)ccc1Br 8007070 YIHATBOBRLHVDQ-UHFFFAOYSA-N 352.159 3.612 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc2c(c1)OCO2 8037594 VAVVIFGQIKZVLJ-UHFFFAOYSA-N 373.771 3.954 0 40 FHAB O=C(Nc1ccc2ccccc2n1)c1ccc(CSc2ncn[nH]2)cc1 8229574 PZTUOUPMLMZMMH-UHFFFAOYSA-N 361.430 3.898 0 40 FHAB Cc1ccc(C)c(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2)c1 8412780 WDNAQLBKRFHIJE-UHFFFAOYSA-N 368.433 3.594 0 40 FHAB CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@@H](c2ccco2)n2ncnc2N1 8610070 BTNRKAVSYPLYEH-MRXNPFEDSA-N 369.812 3.761 0 40 FHAB CN(C)C(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1 8727815 ZHTYVEVZTCPTFO-UHFFFAOYSA-N 362.474 3.770 0 40 FHAB CSCc1c(C(=O)Nc2ccc(-n3cnnn3)cc2)oc2ccccc12 8778455 DVLDESVHGAJDLB-UHFFFAOYSA-N 365.418 3.524 0 40 FHAB CCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccc2c(c1)CCCC2 9193354 SYSDYUIVIFPJEK-UHFFFAOYSA-N 372.538 3.851 0 40 FHAB Cn1ccnc1[C@H](NC(=O)c1ccc(-n2cccc2)cc1)c1ccc(F)cc1 10656555 WDOBCBWECFLIPX-HXUWFJFHSA-N 374.419 3.869 0 40 FHAB O=C(COC(=O)c1cc2sc(Nc3ccccc3)nc2s1)NC1CC1 10712130 WSGDHSYVMQTHQJ-UHFFFAOYSA-N 373.459 3.537 0 40 FHAB COc1ccc(CNC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cn1 11003099 VBUCIIPZZNBOBO-UHFFFAOYSA-N 372.428 3.668 0 40 FHAB COc1ccc([C@@H](NC(=O)CCC2CCCC2)c2nccn2C)cc1OC 12114947 XIRBHGKVXNDDOM-HXUWFJFHSA-N 371.481 3.613 0 40 FHAB COc1ccccc1CC(=O)N1CCC(c2onc3c2CCCC3)CC1 12119775 ZEFGFPXOWFBQFM-UHFFFAOYSA-N 354.450 3.511 0 40 FHAB Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1 12329437 IPODWICUONHWCC-RTWAWAEBSA-N 367.489 3.688 0 40 FHAB Cc1cc(Br)cc(Cl)c1OCC(=O)Nc1cccnc1 12548871 MUTYNUXOMFFAOE-UHFFFAOYSA-N 355.619 3.823 0 40 FHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)CCc2cccc(F)c2)c(C)c1 12621546 RETOEDKQVNRFCA-UHFFFAOYSA-N 356.441 3.781 0 40 FHAB C[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccccc1Cl 12755244 AKVCBEZBCRBPIG-CQSZACIVSA-N 356.853 3.887 0 40 FHAB COC(=O)c1cccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c1C 12905299 FSBBGFRQHQMXOW-QGZVFWFLSA-N 369.417 3.592 0 40 FHAB CCc1cccc(C)c1NC(=O)CC1(CC(=O)N2CCOCC2)CCCC1 12985164 VJHVJFAVIFQZLZ-UHFFFAOYSA-N 372.509 3.695 0 40 FHAB FC(F)(F)c1cc(C2CCN(Cc3ccccc3)CC2)nc2ncnn12 13267122 SBMNHBAMSIOTAM-UHFFFAOYSA-N 361.371 3.523 0 40 FHAB O=C(CC1CCCC1)N1CCC[C@H](c2nc(O)cc(-c3ccncc3)n2)C1 13268238 PIISKEIHLFUFQR-KRWDZBQOSA-N 366.465 3.531 0 40 FHAB CC(=O)Nc1nc2ccc(C(=O)/N=c3\[nH]c4ccccc4s3)cc2s1 13735195 BDQYGLBIQKXUMZ-UHFFFAOYSA-N 368.443 3.539 0 40 FHAB CCc1ccc(Cn2nccc2NC(=O)COc2ccc(OC)cc2)cc1 14187006 RPVUPKJUUYAKLM-UHFFFAOYSA-N 365.433 3.520 0 40 FHAB Cc1cc(C(=O)Nc2ccc(Br)cc2F)c2c(C)noc2n1 14204943 UANFGKIFLDUPFW-UHFFFAOYSA-N 364.174 3.994 0 40 FHAB CCCCOC(=O)c1ccc(NC(=O)c2cccc(OC)c2OC)cc1 15501644 YKCVWWXGKRMDTJ-UHFFFAOYSA-N 357.406 3.913 0 40 FHAB COCc1ccc(C(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)cc1 15827934 SMYAUQJUASXJEO-LJQANCHMSA-N 355.434 3.828 0 40 FHAB C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)cn1 16225782 YBWMSJFJYYAADB-NCOADZHNSA-N 357.498 3.888 0 40 FHAB Cc1ccc(NC(=S)NCc2ccccc2CN2CCOCC2)c(C)c1 18165374 WBPBIFBHZOFKSV-UHFFFAOYSA-N 369.534 3.622 0 40 FHAB CC(C)c1cc(C(=O)N[C@H](C)c2cc3cc(Cl)ccc3o2)nc(=O)[nH]1 19452475 ABNZIDKJJQNGRR-SNVBAGLBSA-N 359.813 3.784 0 40 FHAB COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NC(=O)c2ccncc2)cc1OC 19561409 SOLBGGOJPPAPQI-JWWGGVBKSA-N 366.461 3.801 0 40 FHAB O[C@H](CN1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cl)cc1 20218762 UZMHUUVQFJTFET-GOSISDBHSA-N 351.277 3.849 0 40 FHAB COc1ccccc1CNC[C@@](O)(c1ccccc1)c1ccc(F)cc1 20365975 WDJMILOFAGODTB-JOCHJYFZSA-N 351.421 3.860 0 40 FHAB CCS(=O)(=O)N1c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2C[C@@H]1C 20448979 NISZNEYDRCFXOM-HNNXBMFYSA-N 372.490 3.656 0 40 FHAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccc(F)cc1F)SCC(O)=N2 20728908 VSFVYRYSXFODMJ-OAHLLOKOSA-N 373.388 3.673 0 40 FHAB CSc1nc2ccccc2n1CN1CCN(Cc2cccs2)CC1 22793411 GDLQXOKBGORNPK-UHFFFAOYSA-N 358.536 3.595 0 40 FHAB CCc1nc2sc([C@H](c3cccs3)N3CCC(C)CC3)c(O)n2n1 22853386 KIGWEUHUAKYVKU-AWEZNQCLSA-N 362.524 3.942 0 40 FHAB CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)COc1cc(C)on1 23299969 UFQKIEMBQPFVOX-UHFFFAOYSA-N 371.359 3.866 0 40 FHAB Cc1cccc(N2C[C@H](C(=O)NC[C@H](C)c3ccccc3)CC2=O)c1C 23444679 GRLDDMHKLSNXBJ-QFBILLFUSA-N 350.462 3.576 0 40 FHAB Cn1ccnc1[C@H](NC(=O)c1cn(C)c2ccccc12)c1cccc(F)c1 24015263 OBVZTDJUFIKDJO-LJQANCHMSA-N 362.408 3.570 0 40 FHAB O=C(c1ccccc1)c1ccc(OC[C@@H](O)COc2ccc(F)cc2)cc1 24832506 QFVMQWURQVQNLU-LJQANCHMSA-N 366.388 3.875 0 40 FHAB Cc1nc(NC(=O)c2n[nH]c3ccccc23)sc1-c1nccn1C(F)F 25139536 BNVWXIGPNJANAR-UHFFFAOYSA-N 374.376 3.839 0 40 FHAB O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)C1CCOCC1 25693431 SZDLMAPEMRRQLK-UHFFFAOYSA-N 361.445 3.582 0 40 FHAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccccc2Nc2ccccc2)C1 25764360 UYGMUEDBSRNJBG-INIZCTEOSA-N 352.434 3.846 0 40 FHAB CCc1ccccc1Nc1nnc(SCc2cccs2)n(C)c1=O 28536753 ACSVFQMBMMFYKR-UHFFFAOYSA-N 358.492 3.835 0 40 FHAB COc1ccc(CCNC(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1 29319302 RYSXOMGCMQRRKK-NRFANRHFSA-N 361.445 3.722 0 40 FHAB CN(C)[C@H](CNC(=O)c1ccc(-n2ccnc2)cc1)c1ccccc1Cl 29402782 STMSVCOCNUJVLQ-LJQANCHMSA-N 368.868 3.558 0 40 FHAB CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)c2sccc2C)cc1 30228685 YRLCOFDCEWXBBE-UHFFFAOYSA-N 368.458 3.852 0 40 FHAB CCc1nc(C)c(C(C)=O)c(SCC(=O)NC[C@@H](C)c2ccccc2)n1 32905320 MKXKJUFKNLNNIN-CYBMUJFWSA-N 371.506 3.562 0 40 FHAB CC[C@H](C)N(Cc1ccccc1)C(=O)C1CCN(c2ncccn2)CC1 32926146 YEUDBXZXBKKLSB-KRWDZBQOSA-N 352.482 3.520 0 40 FHAB C[C@H](NC(=O)c1ccc(NC(N)=O)cc1)c1ccc(OC(F)(F)F)cc1 40081213 UWPYANXXLJFFGT-JTQLQIEISA-N 367.327 3.567 0 40 FHAB O=S(=O)(Cc1nc(-c2ccccc2)no1)[C@@H]1CCCc2ccccc21 42152952 HIHXMVHACWWAKU-QGZVFWFLSA-N 354.431 3.729 0 40 FHAB COc1ccc(CCC(=O)Nc2ccc3[nH]c([C@@H]4CCCO4)nc3c2)cc1 44916493 VSEMFRHIILQDCP-IBGZPJMESA-N 365.433 3.994 0 40 FHAB CC(C)CN1CCC(NC(=O)NCc2ccc(C(F)(F)F)cc2)CC1 45303630 SPYVMOLQUJHPCT-UHFFFAOYSA-N 357.420 3.625 0 40 FHAB Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCc1ccoc1 48276036 QQGNZSSIUMAOAC-UHFFFAOYSA-N 358.394 3.971 0 40 FHAB O=C(c1n[nH]c2ccccc12)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 50662075 KZYVSSSFDUOEJR-INIZCTEOSA-N 353.397 3.523 0 40 FHAB COc1ccc(-c2noc(COC(=O)c3ccc(F)c(Cl)c3)n2)cc1 51315368 ANRAWTCYRUCFHC-UHFFFAOYSA-N 362.744 3.895 0 40 FHAB CN(C(=O)c1ccc(NC(=O)[C@H]2CCCO2)cc1Cl)C1CCCCC1 55648227 DUHQQFLKKFUGAN-QGZVFWFLSA-N 364.873 3.862 0 40 FHAB O=C(CNc1ccccc1F)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 57830455 MMEWVPBBMOZYLW-SFHVURJKSA-N 370.424 3.763 0 40 FHAB O=C(NCc1cccc(NC(=O)[C@H]2CCCO2)c1)Nc1ccccc1Cl 58159046 ZZAJROVAKUKUQZ-QGZVFWFLSA-N 373.840 3.779 0 40 FHAB C[C@H](C1CC1)N(CC1=NS(=O)(=O)c2ccccc2N1)Cc1ccccc1 58178584 XLWNNPORCSDMEP-OAHLLOKOSA-N 369.490 3.500 0 40 FHAB Cc1cn2cc(NC(=O)CCc3c(C)nn(CC(C)C)c3C)ccc2n1 58344668 GOAFTCUSSAOYHZ-UHFFFAOYSA-N 353.470 3.683 0 40 FHAB O=C1NCc2ccc(NC(=O)C3(c4cccc(F)c4)CCCCC3)cc21 58749422 CKNZVGBYJUATHM-UHFFFAOYSA-N 352.409 3.910 0 40 FHAB O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)NC1CCCCCC1 71832888 ORDWVQFRHMTYRD-CQSZACIVSA-N 351.441 3.813 0 40 FHAB Cc1nc(=O)c2cc(Cl)ccc2n1C1=CCN(Cc2ccccn2)CC1 72348313 LZJIHNLMVVWLDX-UHFFFAOYSA-N 366.852 3.500 0 40 FHAB CCc1nc2cccnc2n1[C@@H]1CCN(C(=O)c2cc3ccccc3[nH]2)C1 72366014 JKTRZPSDWSCJRS-OAHLLOKOSA-N 359.433 3.562 0 40 FHAB CCOC(=O)c1cc2cc(NC(=O)Cc3ccc(C)nc3)ccc2s1 80338523 VYQIAJOVHPHSAE-UHFFFAOYSA-N 354.431 3.963 0 40 FHAB CC(C)(C)c1ccc(OCCCC(=O)NC[C@@](C)(O)C(F)(F)F)cc1 95445086 XWQRSZSOWMSKOE-QGZVFWFLSA-N 361.404 3.573 0 40 FHAB O=C(Nc1ccccc1)N1C[C@H]2CN(Cc3cccc(Cl)c3)C[C@@H]2C1 96081064 KABBIPMQJNHTOO-IAGOWNOFSA-N 355.869 3.936 0 40 FHAB COC(=O)COc1ccc2occ(-c3cc(OC)c(OC)c(OC)c3)c2c1 96222551 YNZORKQVEIISOT-UHFFFAOYSA-N 372.373 3.677 0 40 FHAB biogenic Cc1ccc(-c2noc(CCN3CCN(c4ccc(F)cc4)CC3)n2)cc1 98212056 ILGYCQUFJJXONZ-UHFFFAOYSA-N 366.440 3.549 0 40 FHAB CC(=O)N[C@@H]1C(=O)N(CCCOc2ccccc2C)c2c(C)cc(C)cc21 100485679 ZOBDIKIDRVYOKM-FQEVSTJZSA-N 366.461 3.605 0 40 FHAB Fc1ccc(-c2nc(CCNCc3ccc4c(c3)OCCO4)co2)cc1 105482614 XXJDENWSASSCJJ-UHFFFAOYSA-N 354.381 3.584 0 40 FHAB Cc1cc(F)ccc1C(=O)Nc1ccccc1I 107762297 TUPBKTLHRIKRQJ-UHFFFAOYSA-N 355.150 3.991 0 40 FHAB C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@]4(C)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118915097 UUNZVNLAFCAUHR-VOOFJUOASA-N 350.543 3.892 0 40 FHAB COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCOc2ncc(C)cc21 126384430 UZVIHACURVMQKM-INIZCTEOSA-N 352.434 3.634 0 40 FHAB COc1cccc2c1CCCCN2C(=O)c1cc(C)nc2onc(C)c12 129150983 YVQRQSRPWQEKQH-UHFFFAOYSA-N 351.406 3.831 0 40 FHAB Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCC(Cn2cccn2)CC1 153341588 DTRDLBBNJMRHEK-UHFFFAOYSA-N 356.857 3.879 0 40 FHAB CCOc1ccc(CNC(=O)COc2ccc(Br)cc2)cc1 218817165 KTFWFBUSNGFCGK-UHFFFAOYSA-N 364.239 3.543 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1 224223437 VRQFQPSESZOPIU-HXUWFJFHSA-N 370.468 3.620 0 40 FHAB O=C(NCc1ccnc(-c2cccs2)c1)NCc1ccc2c(c1)OCO2 225652860 XATIKHFGMDVJOQ-UHFFFAOYSA-N 367.430 3.538 0 40 FHAB NC[C@@H]1[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242437477 CCBRIIRNEXJGBX-OAGGEKHMSA-N 356.274 3.508 0 40 FHAB COc1ccc(CN2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)cc1 247883784 KDSCUESDDWYUPH-UNMCSNQZSA-N 368.477 3.540 0 40 FHAB CCOc1cc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCC[C@H]3O2)ccc1N1CCCC1 257222616 DUAMQYXBSOBWLP-UYWIDEMCSA-N 372.509 3.820 0 40 FHAB CN1CCC(N2CCC[C@@H](c3ncc(Cc4ccccc4F)o3)C2)CC1 257245590 IQFXQURFLIYICK-QGZVFWFLSA-N 357.473 3.678 0 40 FHAB COc1cc(N2CCCC2)ccc1[C@H]1C[C@@H](NC(C)=O)[C@@H]2CCCC[C@H]2O1 257331162 XRRBGMLVNGJEPL-RJJVWVDVSA-N 372.509 3.820 0 40 FHAB Cc1cccc(CN2CC[C@]3(C2)CN(Cc2ccccn2)c2cccnc23)c1 306130582 JKEKAIABMRVISL-DEOSSOPVSA-N 370.500 3.949 0 40 FHAB CC(C)(C)C(=O)NC1CCN(Cc2cccc(Br)c2)CC1 412972768 OPWLBVKCQJMYMK-UHFFFAOYSA-N 353.304 3.576 0 40 FHAB Cc1cn2c(n1)[C@H](CNC(=O)N1CC3(CCC3)c3ccccc31)CCC2 521143057 RUSNCCSAUKXGFA-INIZCTEOSA-N 350.466 3.720 0 40 FHAB CCC(CC)(CNc1ncccc1S(N)(=O)=O)c1ccc(Cl)cc1 522180211 OCMMWRDPQNLTOL-UHFFFAOYSA-N 367.902 3.552 0 40 FHAB CC1(C)[C@@H](c2cccc(F)c2)CCN1C(=O)c1ccc(N2CCC2)nc1 530036820 FVQYOCAGJCDGCJ-GOSISDBHSA-N 353.441 3.839 0 40 FHAB CCN(CC)[C@@H]1CCN(C(=O)c2c(-n3cccc3)sc3c2CCC3)C1 533956281 JUUCHTOEDRUWSP-OAHLLOKOSA-N 357.523 3.584 0 40 FHAB c1cncc(COCC[C@@H]2CCOC23CCN(Cc2ccco2)CC3)c1 585104957 MUDHAORBGOWNAF-LJQANCHMSA-N 356.466 3.653 0 40 FHAB C[C@@H]1CN(c2cccc(Cl)c2)CCN1C(=O)c1ccc2nc(O)oc2c1 652358648 ZSTYRDQRVRGIJY-GFCCVEGCSA-N 371.824 3.538 0 40 FHAB Cc1nc2cc(NC(=O)N[C@@H](C[C@@H]3CCCO3)C(F)(F)F)ccc2o1 654020172 RXEPKNKZMRZZTJ-FZMZJTMJSA-N 357.332 3.758 0 40 FHAB Clc1ccccc1N1CCC[C@H](NCc2c[nH]nc2-c2cccnc2)C1 1308284406 BKPXDXNZLKIVGE-KRWDZBQOSA-N 367.884 3.884 0 40 FHAB Cc1cc(N(C)C2CCN(C(=O)Nc3ccccc3Cl)CC2)ncn1 1888868671 ZRSBIDLADVUVRH-UHFFFAOYSA-N 359.861 3.571 0 40 FHAB CO[C@@]1(COc2ccccc2)CCCN(C(=O)/C=C/c2ccccc2)C1 2037916113 OPNSDPYDSBPBLU-TWLJRWAQSA-N 351.446 3.786 0 40 FHAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccccc1)C[C@H]1CCCO1 908036 KKXMRXFYCZGUFP-GOSISDBHSA-N 363.413 3.614 0 40 FHAB Cc1cccc2cc(CN(C(=O)[C@H]3CCCO3)C3CCCCC3)c(=O)[nH]c12 1346723 WLONLZIJCLYCDX-LJQANCHMSA-N 368.477 3.677 0 40 FHAB CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccoc1C 4860397 ZAZJEEIAKOIIFW-UHFFFAOYSA-N 356.451 3.906 0 40 FHAB COc1ccc(NC(=O)NC2(C(=O)N3CCC[C@@H](C)C3)CCCCC2)cc1 4981992 MMPDQHFDXFRBFZ-MRXNPFEDSA-N 373.497 3.778 0 40 FHAB C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 57024437 WICANPWMDWPIBD-KRWDZBQOSA-N 371.912 3.509 0 40 FHAB CCN(C(=O)c1cc(-c2ccc(OC)cc2OC)[nH]n1)c1ccccc1 57477082 AYPNQMCGWXXOIW-UHFFFAOYSA-N 351.406 3.761 0 40 FHAB COc1ccc(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)cn1 44758915 VGBZELHUWOYLJL-UHFFFAOYSA-N 361.401 3.903 0 40 FHAB OCCCc1nc2n(n1)[C@@H](c1cccs1)C=C(c1ccc(Cl)cc1)N2 100892668 IYKLXEHFNNBUSC-OAHLLOKOSA-N 372.881 3.974 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)N[C@H](C)CCc1ccccc1 58173102 SGNYCZBGPHMGTI-CQSZACIVSA-N 355.438 3.796 0 40 FHAB CC(C)CN(CCN(C)C)C(=O)N[C@@H](C)c1ccc(Br)cc1 58167237 BSQHYNDWYHMLJS-AWEZNQCLSA-N 370.335 3.739 0 40 FHAB COC(=O)c1cc(CSc2nnc(COc3ccc(C)cc3)o2)c(C)o1 58213527 PKLLEURBUGAQTK-UHFFFAOYSA-N 374.418 3.937 0 40 FHAB COc1ccc(CN2[C@@H]3CC[C@@H]2CC(NC(=O)c2cccc(F)c2)C3)cc1 100423533 IEQRSGUEQUJCKC-WOJBJXKFSA-N 368.452 3.760 0 40 FHAB O=C(NCC1(c2ccccc2)CCC1)Nc1ncn(Cc2ccccc2)n1 58382446 VBEDOPMAIURBIR-UHFFFAOYSA-N 361.449 3.570 0 40 FHAB CCCNc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)s1 58407233 HTPABPDUVTWOCM-UHFFFAOYSA-N 366.295 3.641 0 40 FHAB Cc1ccc(NC(=O)CCC(=O)Nc2nnc(C(F)(F)F)s2)cc1C 2399592 PUTVTZJCKDHGKN-UHFFFAOYSA-N 372.372 3.531 0 40 FHAB COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cc(Cl)ccc1Cl 2383371 IMUMFWNVASMFJA-HNNXBMFYSA-N 367.232 3.899 0 40 FHAB O=C(NCCc1cccc2cccnc12)c1cncn1-c1ccc(F)cc1 48272639 OJJFCABLFIDVJN-UHFFFAOYSA-N 360.392 3.532 0 40 FHAB CN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)Cc1ccco1 12797557 BFYQEOHPGOFNTK-UHFFFAOYSA-N 366.465 3.833 0 40 FHAB CC[C@H](C)[C@H](C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 12752591 IBNGMHMDVQODHB-KXBFYZLASA-N 374.506 3.705 0 40 FHAB O=C(CSc1ccc(Cl)cc1)NCc1ccc(-n2ccnc2)cc1 69389970 IZSLTIPOXGAPCX-UHFFFAOYSA-N 357.866 3.934 0 40 FHAB Cc1nn(CCC(=O)NCc2csc(-c3ccccc3)n2)c(C)c1Cl 28242439 RBVHERAHFMNBGO-UHFFFAOYSA-N 374.897 3.983 0 40 FHAB O=S(=O)(NCCc1c[nH]c2ccccc12)c1cc(Cl)cc(Cl)c1 3331784 KZGCLADNOFJYMF-UHFFFAOYSA-N 369.273 3.996 0 40 FHAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(OC)cc2OC)cc1 3394707 MLJCRGDGQGHYMN-CYBMUJFWSA-N 358.390 3.531 0 40 FHAB CC(C)N(CC(=O)OC(C)(C)C)C(=O)[C@H]1SCCc2sccc21 95451958 IHRUIMWURUIIBG-HNNXBMFYSA-N 355.525 3.657 0 40 FHAB CSc1ccc(CN(C)C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)cc1 12807478 BKWHPNSAGNFLPA-UHFFFAOYSA-N 370.453 3.709 0 40 FHAB CCCCN1C(=O)c2ccc(C(=O)Nc3cccc(C)c3C)cc2C1=O 3481968 QINXBOCFZRIZOK-UHFFFAOYSA-N 350.418 3.952 0 40 FHAB aggregator Nc1nc(Cl)cc(N2CCC[C@@H]2c2ccc(Br)cc2)n1 48571703 LUHOWRGVFFJJFV-LLVKDONJSA-N 353.651 3.816 0 40 FHAB COC(=O)C[C@@H](NC(=O)/C=C/c1nc2ccccc2s1)c1ccccc1 12921471 ROFNFUCYBQTBIU-LPQFERQCSA-N 366.442 3.730 0 40 FHAB NC(=O)c1ccccc1OCc1nc(-c2ccccc2)c2ccccc2n1 12943308 MZEPWPRJFPWAQX-UHFFFAOYSA-N 355.397 3.975 0 40 FHAB CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(Nc3ccc(C)cc3)n2)C1 9763561 ZZKIRYHZOTUQFT-CQSZACIVSA-N 373.478 3.610 0 40 FHAB Cc1ccc(-n2c(SC[C@H]3CCCO3)nc3ccccc3c2=O)cc1 6032940 UVLWJMCCQYBHLT-MRXNPFEDSA-N 352.459 3.965 0 40 FHAB Cc1cc(NC(=O)[C@@H](OC(=O)c2ccc(F)cc2)c2ccccc2)no1 14016353 OMYKARIGKNRMJC-KRWDZBQOSA-N 354.337 3.659 0 40 FHAB CC(C)[C@H](C)NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 5359380 KQPJKMLGSQMYOV-NSHDSACASA-N 350.513 3.594 0 40 FHAB O=C(NCCc1nnc(-c2ccccc2)o1)Nc1cccc2cnccc12 72311259 BPACSWLNVLQVIP-UHFFFAOYSA-N 359.389 3.649 0 40 FHAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccccc1F 6495689 RQJKCKDAWWJJIS-UHFFFAOYSA-N 356.378 3.973 0 40 FHAB Cc1nnc(SCC(=O)Nc2cc(C(C)(C)C)no2)n1-c1ccccc1 6589291 WYMKPZMNKPUEBJ-UHFFFAOYSA-N 371.466 3.592 0 40 FHAB Cc1cccc(O[C@@H](C)C(=O)Nc2nonc2-c2ccc(F)cc2)c1C 6662433 ZCXNRRXBCACFDZ-ZDUSSCGKSA-N 355.369 3.899 0 40 FHAB COc1cccc(-c2nn3c(-c4cc(-c5ccccc5)n[nH]4)nnc3s2)c1 6786005 IMPKMOIVAGDRJM-UHFFFAOYSA-N 374.429 3.919 0 40 FHAB C[C@H](Sc1cccc[n+]1[O-])C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 5780177 BJUXXMWNBKVURX-QWRGUYRKSA-N 371.289 3.985 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C 9494324 KNOINWDYAOHIRZ-UHFFFAOYSA-N 372.421 3.626 0 40 FHAB CCNc1nnc(SCc2nc(-c3ccc(Cl)cc3)no2)s1 7248270 PEQCBEUPGPNDSA-UHFFFAOYSA-N 353.860 3.966 0 40 FHAB Cc1cc(-c2csc(NCCc3ccccc3)n2)c(C)n1-c1ncn[nH]1 7844184 HYELCYZOTTUOML-UHFFFAOYSA-N 364.478 3.990 0 40 FHAB Fc1ccccc1CN1CC[C@]2(C1)CN(Cc1cccnc1)c1cccnc12 306138576 SAZFRXITENAZET-QHCPKHFHSA-N 374.463 3.780 0 40 FHAB CS(=O)(=O)c1ccc(-c2csc(NC(=O)CC3CCCC3)n2)cc1 8116153 UDKLQLSNEJDNIO-UHFFFAOYSA-N 364.492 3.732 0 40 FHAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1 28195891 AUMDHMIXVMYYRR-UHFFFAOYSA-N 374.245 3.889 0 40 FHAB COc1ccccc1NC(=O)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 95938992 NSALFDFTKVJHPW-AWEZNQCLSA-N 363.458 3.558 0 40 FHAB CCn1c(S[C@@H](C)C(=O)NCc2ccc(Cl)cc2)nc2cnccc21 89305529 FZRPUPMDJDUEFR-LBPRGKRZSA-N 374.897 3.902 0 40 FHAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(F)cc1 29761958 WRCAQVACGPYSFR-AWEZNQCLSA-N 358.413 3.618 0 40 FHAB COc1ccccc1[C@@H](CNC(=O)[C@H]1CCCC12CC2)N1CCCCC1 528069315 UNDWWUAHSDLSFZ-RTBURBONSA-N 356.510 3.919 0 40 FHAB COc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1F 30289539 WCDZJEJLMHQYTD-UHFFFAOYSA-N 371.433 3.902 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCCN1CCCC[C@@H]1CC 215995599 DVQKKJLAHZBQCH-HKUYNNGSSA-N 350.478 3.754 0 40 FHAB Cc1ccccc1CSCC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 32570992 XHUQYGKCIDZWRZ-OAHLLOKOSA-N 357.475 3.877 0 40 FHAB COCc1nn2c3c(cnc2c1-c1ccc(Br)cc1)CCC3 72260264 QQYHKVNRVATWKZ-UHFFFAOYSA-N 358.239 3.794 0 40 FHAB CCOc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)cc1Cl 224173561 NMLYLNLJPFGYQJ-UHFFFAOYSA-N 374.868 3.710 0 40 FHAB O=C(O)c1coc(CN2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1 570168945 QNVOXEFKMCOVOB-HNNXBMFYSA-N 355.312 3.570 0 40 FHAB COc1cc2c(NCc3ccc(F)c(F)c3)ncnc2c(OC)c1OC 138866964 CRXOPJZQRWQSSP-UHFFFAOYSA-N 361.348 3.546 0 40 FHAB O=C(NCc1cccnc1-c1ccco1)C1(c2ccccc2)CCOCC1 225660475 HZCBMZFHWOJHMM-UHFFFAOYSA-N 362.429 3.706 0 40 FHAB CC(C)n1nccc1NC(=O)[C@H](C)N(C)CC12CC3CC(CC(C3)C1)C2 40005791 KNCWLXZCJZTWOG-SIHNGCNOSA-N 358.530 3.939 0 40 FHAB CCO[C@](C)(C(=O)Nc1ccc(O[C@H](C)COC)c(Cl)c1)C1CC1 225725878 ZRTZKDQKLWAIEV-XIKOKIGWSA-N 355.862 3.897 0 40 FHAB COc1ccc(/C=C/C(=O)NCCOc2ccc(C)c(C)c2)cc1OC 223379824 QKLBBWBTEDNTEX-JXMROGBWSA-N 355.434 3.529 0 40 FHAB CC(C)Oc1ccc(CNS(=O)(=O)Cc2ccc(Cl)cc2)cc1 44846517 ZMZSIZSFLGTIAC-UHFFFAOYSA-N 353.871 3.747 0 40 FHAB CCCNC(=S)Nc1nc(C)c(Br)cc1Br 223869967 NWTGSSGGQQDFQG-UHFFFAOYSA-N 367.110 3.611 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 223042335 NDBANZRMOCNSIU-LJQANCHMSA-N 372.896 3.744 0 40 FHAB CCc1ccc(OCCNC(=O)[C@H](CC)Oc2ccc(OC)cc2)cc1 224158362 XFQULMJLQOMKLQ-FQEVSTJZSA-N 357.450 3.610 0 40 FHAB CCOc1ccccc1NC(=O)N(CC)Cc1cc(=O)[nH]c2ccccc12 41076993 HWJZMBIKFXROSI-UHFFFAOYSA-N 365.433 3.981 0 40 FHAB Cc1ccccc1C(=O)N1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 96109321 IKUMCWVBZOEGFQ-KNQAVFIVSA-N 350.462 3.849 0 40 FHAB O=C(C1CCC1)N1CC[C@@H](Oc2cccnc2)[C@@H](Cc2ccccc2)C1 96206310 HTFGCRSRYIYXGT-PZJWPPBQSA-N 350.462 3.720 0 40 FHAB Cc1cc(NC(=O)C[C@@H](Cn2cccc2)c2ccc(Cl)cc2)nn1C 95478345 TTXIYKBZRMJSJP-INIZCTEOSA-N 356.857 3.996 0 40 FHAB Cc1cc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)ccc1-n1cccc1 257296959 RFETYUBEMPHPRT-UHFFFAOYSA-N 374.849 3.558 0 40 FHAB O=C(C1CCCC1)N1CCO[C@@H](c2cccc(Cc3ccccc3)n2)C1 257273889 NIQFYVBRYPZKSU-OAQYLSRUSA-N 350.462 3.763 0 40 FHAB C[C@H]1CCCN([C@H](C)CNc2cc(C(=O)NC3CC3)c3ccccc3n2)C1 252212683 WUIWBBNAEYYXBX-JKSUJKDBSA-N 366.509 3.659 0 40 FHAB Cn1ccnc1[C@H](Cc1ccccc1)NCc1ccc(-n2ccnc2)cc1 1179070840 AWFPYVZFAJSQGP-NRFANRHFSA-N 357.461 3.679 0 40 FHAB CC[C@H]1CN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)C[C@H]1O 677708982 AOIYDSPFZRSQIX-WCQYABFASA-N 358.488 3.868 0 40 FHAB Cc1cccc(C)c1N1C(=O)C[C@H](N(C)Cc2cccc(Cl)c2)C1=O 32771928 JIIZRJHZCRWDNF-KRWDZBQOSA-N 356.853 3.721 0 40 FHAB CCn1ccc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)n1 1615156117 KBZJEIAMDQLQBA-BEFAXECRSA-N 370.472 3.562 0 40 FHAB COCc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 5254563 RYFCCRITHSBQIE-MRXNPFEDSA-N 355.434 3.942 0 40 FHAB COc1cc(NC(=O)COc2ccc(C)cc2)ccc1N1CCCCC1=O 5441560 BEVZDYLPCGDAIT-UHFFFAOYSA-N 368.433 3.538 0 40 FHAB O=C(COc1ccc(C2SCCS2)cc1)NCCc1ccccc1 5584365 FSTGCGBEGGFFTR-UHFFFAOYSA-N 359.516 3.903 0 40 FHAB c1ccc2c(c1)OC[C@@H](c1nnc3c4c5c(sc4ncn13)CCCC5)O2 5958081 KUXDPBBIJNXFKL-AWEZNQCLSA-N 364.430 3.730 0 40 FHAB COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)C2CCC2)cc1 12145582 YGTDXXVOWPMRKN-GOSISDBHSA-N 353.466 3.811 0 40 FHAB Cn1nc(C2CCN(C(=O)c3c(F)cccc3Cl)CC2)c2cccnc21 12186732 GWCIMGNFYUPBCA-UHFFFAOYSA-N 372.831 3.781 0 40 FHAB CCOc1ccc(CN2CCC(c3n[nH]c4ncccc34)CC2)cc1OC 12221261 OMHSUVAPADYATO-UHFFFAOYSA-N 366.465 3.745 0 40 FHAB COC(=O)c1ccccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 16089440 SODGHJLUSRWEGN-UHFFFAOYSA-N 361.202 3.548 0 40 FHAB Cc1nc2ccccc2c(=O)n1CCC(=O)Nc1cccc(OC(C)C)c1 19286619 CDEBDJAIYMFJDY-UHFFFAOYSA-N 365.433 3.521 0 40 FHAB Cn1cc(CCC(=O)N2CCCCCCCc3ccccc3OCC2)cn1 643583838 CUGOJHSMCDPMRK-UHFFFAOYSA-N 369.509 3.767 0 40 FHAB CC(=O)N1CCCCCCCCN(C2CCNCC2)Cc2ccccc21 643588946 NQDGAHGRILEPIQ-UHFFFAOYSA-N 357.542 3.948 0 40 FHAB COc1cccc([C@@H]2CN(Cc3cccc(C(=O)O)c3Cl)CCO2)c1 572168924 QSOSSLTTZQOBLT-KRWDZBQOSA-N 361.825 3.620 0 40 FHAB O=C(CSc1ncnc2sc3c(c12)CCC3)NCC1CCCCC1 3264353 CAESCEKANGHFRZ-UHFFFAOYSA-N 361.536 3.969 0 40 FHAB O=C(NC1CC1)[C@H](Sc1nc(CC2CCCC2)n[nH]1)c1ccc(F)cc1 12156327 OQGZJTPXGBTQMG-QGZVFWFLSA-N 374.485 3.789 0 40 FHAB O=C(NCC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1cc(Br)cs1 1133340081 PGRGXDFHMVKKSQ-WPRPVWTQSA-N 372.206 3.740 0 40 FHAB Cc1ccccc1-c1nnc(NC(=O)[C@H](C)SC2=NCCS2)s1 4174518 CITJEIPMBLDYJJ-JTQLQIEISA-N 364.521 3.677 0 40 FHAB COc1ccc(CC(=O)N2CCN=C2SCc2ccccc2C)cc1 4120039 FTYUXVQQOUZAFN-UHFFFAOYSA-N 354.475 3.678 0 40 FHAB CCn1c(SCc2nc(-c3cccs3)no2)nc2ccccc2c1=O 7215153 NCSFECPQCGRBGB-UHFFFAOYSA-N 370.459 3.820 0 40 FHAB O=C(NCc1ccc(Cl)cc1)NC[C@@H](O)c1ccc(-c2ccco2)o1 1775966292 WMNNODQIRXTRLQ-CQSZACIVSA-N 360.797 3.726 0 40 FHAB Cc1nc(C2CCOCC2)cc(N2CCN(c3ccccc3Cl)CC2)n1 2086861471 SFAQJVFFZZZJGS-UHFFFAOYSA-N 372.900 3.659 0 40 FHAB CN(C)[C@H](CNS(=O)(=O)/C=C/c1ccccc1)c1cc2ccccc2o1 575620313 JKERZUFFBVMBCK-QFQMRYFISA-N 370.474 3.626 0 40 FHAB CC(C)(C)C(=O)N[C@@H]1CCCN(c2ncc(Br)cc2Cl)C1 2298099643 LATUXJPIDBRAKW-LLVKDONJSA-N 374.710 3.629 0 40 FHAB Cn1c(SCCCOc2ccc(C=O)cc2)nnc1-c1ccccc1 8731713 NCIFKZHQEDLAOI-UHFFFAOYSA-N 353.447 3.856 0 40 FHAB CCOc1ccc(Cc2nnc(Nc3ccc(C)c(C)c3)nc2O)cc1 16777509 PNNVMPRHVKAPGA-UHFFFAOYSA-N 350.422 3.927 0 40 FHAB CSc1ccc([C@@H](O)CNC(=O)c2ccccc2Br)cc1 96103129 XITAEULXZFPHPM-HNNXBMFYSA-N 366.280 3.634 0 40 FHAB C[C@H](CN1CCCC1=O)NC(=O)Nc1ccccc1N(C)c1ccccc1 40152293 ZSXNUNMNSWCLPE-MRXNPFEDSA-N 366.465 3.587 0 40 FHAB O=C(Cn1ccc2ccc(OCc3ccccc3)cc21)Nc1nncs1 40266229 LXZBOLGLJKJISJ-UHFFFAOYSA-N 364.430 3.711 0 40 FHAB CCOC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1F 20389971 NKHAWWGOVOGCCL-KRWDZBQOSA-N 355.365 3.597 0 40 FHAB COc1ccc(CCNC(=O)Cn2ccc3c(Cl)cccc32)cc1OC 32073671 HVLSTDPNCHDMRD-UHFFFAOYSA-N 372.852 3.671 0 40 FHAB Cc1ccc(OCCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)c(C)c1 32448705 QVPXWXOWYAGEKR-UHFFFAOYSA-N 363.461 3.917 0 40 FHAB Cc1nc(COc2ccc(C(=O)N3CC[C@H]4CCCC[C@H]4C3)cc2)no1 32878985 UWBHGFJQLOPMKP-WBVHZDCISA-N 355.438 3.609 0 40 FHAB Cc1ccccc1[C@H](C)NC(=O)CSc1nc(CC2CCCC2)n[nH]1 32883977 SDUCAFAGJSMJIT-AWEZNQCLSA-N 358.511 3.815 0 40 FHAB O=C(CCc1cccc(F)c1)NCc1ccc(OC[C@H]2CCCO2)cc1 32930242 RQMURTRGYFKBMC-HXUWFJFHSA-N 357.425 3.633 0 40 FHAB CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc3ccccc23)NC(=O)N1 716277 LHDOYNXHLKESGN-LJQANCHMSA-N 350.418 3.954 0 40 FHAB C[C@@H](CC(=O)N[C@H](c1ccc(F)cc1)c1nccn1C)c1ccccc1 9157080 ONAGFOZASVOQCZ-MGPUTAFESA-N 351.425 3.959 0 40 FHAB COc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2C)cc1 891525 JQLGCMJKZSATDB-UHFFFAOYSA-N 368.462 3.530 0 40 FHAB CC(C)CNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 918381 RNUQENUHJOQDHY-ZWNOBZJWSA-N 356.348 3.522 0 40 FHAB Cc1cc2cc(C(=O)Nc3ccc(N4CCOCC4)cn3)oc2cc1C 79434486 TUVIGIHRFZRVPL-UHFFFAOYSA-N 351.406 3.534 0 40 FHAB CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nnc1-c1ccco1 4516363 UAPNSWMYBYAONS-HZSPNIEDSA-N 362.499 3.591 0 40 FHAB CCn1c(N/C(O)=C/C(O)(C(F)(F)F)C(F)(F)F)nc2ccccc21 1421445 JNFOYGIMLONEQC-YFHOEESVSA-N 369.265 3.723 0 40 FHAB CCCCC(=O)Nc1nnc(SCC(=O)N2[C@@H](C)CCC[C@H]2C)s1 4904087 SSMGBVNXPUGUEF-TXEJJXNPSA-N 370.544 3.548 0 40 FHAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1ccc2c(c1)OCO2 4962827 JPUQYPULZQTDSH-YSVLISHTSA-N 362.422 3.576 0 40 FHAB CCc1cccc(C)c1NC(=O)C1CCN(c2nc(C)cc(C)n2)CC1 4966034 XPAYJLYMLACUFK-UHFFFAOYSA-N 352.482 3.819 0 40 FHAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(Br)cc1F 7016413 ANAKMGMFHDBJBO-UHFFFAOYSA-N 366.186 3.541 0 40 FHAB COc1ccc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cn1 48018844 DLLKZVFYHWHTDD-INIZCTEOSA-N 369.421 3.621 0 40 FHAB C[C@@H](NC(=O)COC(=O)c1ccc2ccccc2c1O)[C@@H]1C[C@H]2CC[C@H]1C2 107324509 QPGHMXIDOBOKSN-DFHZNHDVSA-N 367.445 3.643 0 40 FHAB CNC(=O)c1ccc(C)c(NC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)c1 44182200 RUQWRBNHLDHGSD-LJQANCHMSA-N 367.449 3.732 0 40 FHAB Cc1cccc(Nc2nnc(SCC(=O)NCc3ccccc3)s2)c1 3271165 IFQFFMPCOOCTLF-UHFFFAOYSA-N 370.503 3.999 0 40 FHAB Cc1ccc(-c2noc(-c3cccn3CC(=O)NCc3ccccc3)n2)cc1 57486871 XCCTXBJYRNSRHS-UHFFFAOYSA-N 372.428 3.830 0 40 FHAB COc1cc(CNC(=O)c2ccc3ccccc3n2)ccc1OC(F)F 8127135 XFUDDYFIOQXYGW-UHFFFAOYSA-N 358.344 3.775 0 40 FHAB CN(C(=O)COc1ncnc2sc3c(c12)CCCC3)C1CCCCC1 3275198 USGHAXOPJWNMCV-UHFFFAOYSA-N 359.495 3.740 0 40 FHAB Cc1csc(CCNC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)n1 58228480 FQLBYIJQTZFSCU-ZIAGYGMSSA-N 365.296 3.676 0 40 FHAB Cc1ccc(CN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C(C)C)o1 58202931 MVFOYKOXHFVWNE-QGZVFWFLSA-N 358.463 3.828 0 40 FHAB COC(=O)Cc1c(C)c2ccc(OCc3ccccc3F)cc2oc1=O 2359379 YUYUHTRUJYQVFM-UHFFFAOYSA-N 356.349 3.535 0 40 FHAB COc1ccc(C(=O)Nc2nonc2-c2ccc(Br)cc2)cc1 11916343 YLYSAZJGVVYWPS-UHFFFAOYSA-N 374.194 3.760 0 40 FHAB O=C(COC(=O)/C=C/c1cccc(Cl)c1)Nc1ccc(Cl)cn1 2624538 HGPCVMWVKJLJRC-QPJJXVBHSA-N 351.189 3.584 0 40 FHAB CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NC3=NCCS3)c12 47057730 POHYUZAEXSZTSL-UHFFFAOYSA-N 358.467 3.521 0 40 FHAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)NCCc3cccs3)c12 12762128 OAFLDQBLDCWWHG-UHFFFAOYSA-N 366.446 3.571 0 40 FHAB Cc1ccc(CN(CCc2ccccc2)CC(=O)Nc2ccon2)s1 12751791 LTTHKIPWBGQWHB-UHFFFAOYSA-N 355.463 3.728 0 40 FHAB CCOc1ccc(-c2cc(C(=O)Nc3nnc(SC)s3)no2)cc1 21524307 CWXDBAFFEAEVHV-UHFFFAOYSA-N 362.436 3.566 0 40 FHAB CC(C)n1ncc2cc(NC(=O)CCC(=O)c3ccc(F)cc3)cnc21 12984218 SSNBFNHSLHUWAT-UHFFFAOYSA-N 354.385 3.753 0 40 FHAB O=C(CSc1nc(CC2CCCC2)n[nH]1)c1ccc2c(c1)OCCCO2 12944206 OMKXGBIQJQMYPZ-UHFFFAOYSA-N 373.478 3.674 0 40 FHAB CCc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 408707965 MWRMBHRLLOFNKR-INIZCTEOSA-N 356.853 3.572 0 40 FHAB CC[C@H](COC(=O)C(O)(c1ccccc1)c1ccccc1)N(CC)CC 3634003 XEECKVYRHXGIEU-HXUWFJFHSA-N 355.478 3.586 0 40 FHAB C[C@@H](C(=O)Nc1ccc(F)cc1F)N(C)Cc1cnn(-c2ccccc2)c1 9114561 QTKGFERNMQMCMN-AWEZNQCLSA-N 370.403 3.610 0 40 FHAB CCOC(=O)c1sc2nc(CN3CCCCC3)nc(NC3CC3)c2c1C 6085516 HFJBZIDYWMPKFD-UHFFFAOYSA-N 374.510 3.737 0 40 FHAB O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccc(F)c(Cl)c1 5079797 OYBQNMTYNSKBHX-UHFFFAOYSA-N 358.756 3.823 0 40 FHAB O=C1Sc2ccc(S(=O)(=O)NCc3ccccc3)c3cccc1c23 5234096 YBKFNXAQAWTGLI-UHFFFAOYSA-N 355.440 3.564 0 40 FHAB C[C@H](OC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccc(F)cc1Cl 6370763 MXFWTUFOVWBMNY-VIFPVBQESA-N 361.760 3.539 0 40 FHAB CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nc(C(C)C)n[nH]2)cc1 14093377 AQGVNYUJWOGSGN-GFCCVEGCSA-N 360.483 3.886 0 40 FHAB CN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CCCN1C(=O)CC(C)(C)C 65553719 BVAZTSFWNVIHLB-MRXNPFEDSA-N 368.880 3.865 0 40 FHAB CN(C)C(=O)c1ccc(NC(=O)/C=C/c2ccccc2Br)cc1 14139652 UNYIAUZJIFGSBS-FMIVXFBMSA-N 373.250 3.803 0 40 FHAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC)cc2OC)N3)C1 4556124 RMTAUJSDTJNFSB-QGZVFWFLSA-N 373.478 3.572 0 40 FHAB Cc1ccc(-c2nnc(SC3=CS(=O)(=O)c4ccccc43)o2)cc1 4538894 QNYTUOCUDVGRCR-UHFFFAOYSA-N 356.428 3.923 0 40 FHAB CCOC(=O)c1c(CC(C)C)csc1NC(=O)c1c(C)noc1C 14200684 RVLJUFNFZNGVLI-UHFFFAOYSA-N 350.440 3.980 0 40 FHAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)c1cc(C)n(C)c1C 5537804 OFQLINIYOWVJER-UHFFFAOYSA-N 352.390 3.645 0 40 FHAB COc1ccccc1N1CCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1 6669422 TWEMJLLOMWDQAR-UHFFFAOYSA-N 363.461 3.756 0 40 FHAB O=C(CCSc1ccc(Cl)cc1)OCc1cc(=O)n2ccccc2n1 14758564 GWYKQVZIMZVXIA-UHFFFAOYSA-N 374.849 3.574 0 40 FHAB Cc1nn(CCC(=O)N[C@@H]2[C@@H]3CCC[C@@H]3[C@@H]2c2ccccc2)c(C)c1C 409412863 UNYRHBODQVLFGT-YUVXSKOASA-N 351.494 3.897 0 40 FHAB C[C@H](Sc1nc(C2CC2)nc2ccccc12)C(=O)NCc1ccco1 9513983 ATIIAUMVMQSHIY-LBPRGKRZSA-N 353.447 3.897 0 40 FHAB Cc1cccc(NC(=O)CSc2nc3ccccc3c3nc(C)nn23)c1 9546853 HTHXJVUOAWTHNO-UHFFFAOYSA-N 363.446 3.625 0 40 FHAB Cc1cc(C)n(CCCNC(=O)CSCc2ccc(Cl)cc2)n1 7454446 ZCYYORMNWPUNFY-UHFFFAOYSA-N 351.903 3.593 0 40 FHAB O=C(Nc1ccccc1C(=O)NC1CC1)c1ccccc1Br 7596970 AYMGFVCHCKYLNG-UHFFFAOYSA-N 359.223 3.594 0 40 FHAB Clc1ccc(C2=NN=C(NCc3ccc4c(c3)OCO4)SC2)cc1 7848998 XTUDKUIYIQHLGO-UHFFFAOYSA-N 359.838 3.665 0 40 FHAB aggregator CC(=O)N[C@H](CC(=O)NCc1ccc(C(F)(F)F)cc1)c1ccccc1 16301380 MLTCAVBCDYFEFI-QGZVFWFLSA-N 364.367 3.589 0 40 FHAB COc1ccc(C)cc1Cn1cnc2c(sc3nc(C)cc(C)c32)c1=O 9608813 ZQOPMMMAOCBVHA-UHFFFAOYSA-N 365.458 3.988 0 40 FHAB COc1ccc(CN2C(=O)/C(=C/c3cccnc3)c3ccccc3C2=O)cc1 96669582 LHIGGJDFWRPPTR-FYJGNVAPSA-N 370.408 3.813 0 40 FHAB COc1cc(C(=O)OCc2cc(-c3ccco3)on2)ccc1OC(F)F 8507775 MGDXHBFRLQWSEA-UHFFFAOYSA-N 365.288 3.902 0 40 FHAB O=C(c1ccccc1)c1cc(-c2cccnc2)c(N2CCOCC2)s1 8715573 MRYRGKGPWCIAMK-UHFFFAOYSA-N 350.443 3.878 0 40 FHAB CC1(C)C[C@@H](C(=O)Nc2ccc(Oc3ccc4c(c3)OCO4)nc2)CCO1 72324842 OUALUYPICNLZCU-ZDUSSCGKSA-N 370.405 3.746 0 40 FHAB biogenic Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC2(CCCN2C)CC1 95992807 AKFVDXUKLRQOIV-UHFFFAOYSA-N 369.534 3.743 0 40 FHAB Cc1nc(N2CCC[C@H](N3CCCC3=O)C2)c2c(CC(C)C)csc2n1 95957310 DJUMPZHMGFLYFD-INIZCTEOSA-N 372.538 3.789 0 40 FHAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cn2cc(Cl)cn2)cc1 27969522 QLFYONLQTIYZDX-UHFFFAOYSA-N 369.808 3.608 0 40 FHAB CC(C)c1ccc(S(=O)(=O)Nc2cnn(Cc3cccc(F)c3)c2)cc1 28220467 XEHZFFHRVRCOFX-UHFFFAOYSA-N 373.453 3.995 0 40 FHAB O=C(CCn1cc(Br)cn1)Nc1ccc(Cl)cc1Cl 28235495 WOASRYALYHQQHL-UHFFFAOYSA-N 363.042 3.981 0 40 FHAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc2c(c1)OCCO2 29081686 IQPIFWAMVVFMHQ-UHFFFAOYSA-N 368.364 3.823 0 40 FHAB Cc1ccccc1-c1nnc(SCC(=O)Nc2cccc(F)c2C)n1C 409075288 YLMILLYSFVMQSW-UHFFFAOYSA-N 370.453 3.969 0 40 FHAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NCc1ccccc1C(F)(F)F 27974353 JLDYKCSDZNVKIC-LLVKDONJSA-N 367.323 3.518 0 40 FHAB COc1cccc(-c2cc(C(F)(F)F)nc(NC3CCN(C)CC3)n2)c1 36613678 YDJMFGSNXGKWQO-UHFFFAOYSA-N 366.387 3.677 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)CN1CC(=O)Nc2ccccc2C1 519420453 GGWJCLGUFUYQTJ-UHFFFAOYSA-N 351.450 3.511 0 40 FHAB O=C(CSc1ccc(F)cc1)NCC1(c2cccs2)CCOCC1 38940111 HKQFLLJMTQMYED-UHFFFAOYSA-N 365.495 3.844 0 40 FHAB CCC(=O)N1Cc2ccccc2[C@@H](c2nccn2Cc2csc(C)n2)C1 306127088 FOFZOWQYYTVMQS-SFHVURJKSA-N 366.490 3.580 0 40 FHAB O=C(Nc1nnc(SCCN2CCCCC2)s1)C1CCCCC1 35316091 MZCGEMZXPXSKDC-UHFFFAOYSA-N 354.545 3.635 0 40 FHAB COc1ccc(CC(=O)NCCc2c(C)[nH]c3c(F)cc(F)cc23)cc1 32611454 YSWVMDKFZLULOZ-UHFFFAOYSA-N 358.388 3.665 0 40 FHAB O=C(NCC1(c2ccccc2)CCC1)c1cc(Cl)c2c(c1)OCCO2 32882351 YMVYEUNYAQVAQZ-UHFFFAOYSA-N 357.837 3.963 0 40 FHAB CC1=C[C@@H](CO)[C@H](C(C)C)C[C@H]1CC(=O)NCc1cc(F)cc(F)c1 30882721 LKDYIWDJQMVDTK-BXWFABGCSA-N 351.437 3.818 0 40 FHAB biogenic,in-vitro CC1(C)O[C@@H]2C[C@]3(C)C(=O)CC[C@H]3[C@@H]3CC[C@H]4C[C@@H](O)C[C@@H](O1)[C@]4(C)[C@H]32 123373904 YOMKZERBLMKYST-INVJCJFCSA-N 362.510 3.699 0 40 FHAB Cc1ccc(Oc2cccc([C@H]3CCCN3C(=O)c3cnccn3)n2)cc1 72383798 AZBHTYRBOAYJKS-LJQANCHMSA-N 360.417 3.950 0 40 FHAB Cc1nc(-c2ccc(S(=O)(=O)N3CCc4ccccc43)s2)cs1 32603722 SZKPDYVFPBUUSQ-UHFFFAOYSA-N 362.501 3.931 0 40 FHAB CN(C(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccccc1 47156138 SYWQTAUKGIPXRD-UHFFFAOYSA-N 366.442 3.764 0 40 FHAB C[C@@H]1C[C@@H](C)CN(c2cc(Cl)nc(NC(=S)NC(C)(C)C)n2)C1 225896761 AUGZRGOYQREUMK-GHMZBOCLSA-N 355.939 3.697 0 40 FHAB COc1cc2c(cc1OC)[C@@H](NC(=O)[C@H](CC(C)C)n1cccc1)CC2 575443289 ITBFKUXVSOKSCH-ROUUACIJSA-N 356.466 3.896 0 40 FHAB Cc1cn2c(CN(C)C(=O)c3cc(C)n([C@H](C)C4CC4)n3)c(C)nc2s1 329366178 KHSRUVBDRBTPBK-CQSZACIVSA-N 371.510 3.761 0 40 FHAB CC(C)n1c(=O)sc2cc(NS(=O)(=O)c3cccs3)ccc21 46017572 AGWYFMNVDNQJMN-UHFFFAOYSA-N 354.478 3.506 0 40 FHAB COc1cccc(-c2noc(CNC(=O)CCc3ccc(Cl)cc3)n2)c1 225311939 XZMNQJGYRVILGW-UHFFFAOYSA-N 371.824 3.648 0 40 FHAB COc1cc(NS(=O)(=O)c2ccc(F)c(C)c2)c(OC)cc1Cl 225606112 RVXHVQHAZJQLPQ-UHFFFAOYSA-N 359.806 3.606 0 40 FHAB O=C(N[C@H]1CCc2c(Br)cccc21)c1cnc(C2CC2)nc1 578292093 XXDAJYRFKOQGRX-HNNXBMFYSA-N 358.239 3.534 0 40 FHAB CC(=O)[C@H]1[C@@H](N2CC2)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 96903863 YKAAPHAUSMBTTG-QGZPSTLZSA-N 357.538 3.809 0 40 FHAB COc1ccc2nc(C(F)(F)F)nc(N(C[C@@H]3CCOC3)C3CC3)c2c1 585083313 QFWYFPYPSYXFCI-NSHDSACASA-N 367.371 3.663 0 40 FHAB O=C(c1cnco1)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257277122 NWNJXQJALPOTQW-HNNXBMFYSA-N 357.797 3.884 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1 85555859 MYIASYOELBUSKJ-CQSZACIVSA-N 367.405 3.503 0 40 FHAB Cc1cc(F)ccc1C[C@H](C)NC(=O)c1cncc(OCC(F)F)c1 1261778074 XLGOHBQLPLKHGR-LBPRGKRZSA-N 352.356 3.534 0 40 FHAB O=C(CCc1ccc(C(F)(F)F)cc1)N1CCC2(CC1)OCCS2 96120477 TXGQLOIOMFRHQV-UHFFFAOYSA-N 359.413 3.720 0 40 FHAB Cn1cc(-c2cncc(CNC(=O)C3(c4cccs4)CCCC3)c2)cn1 575414845 XRNALFFLBKBVME-UHFFFAOYSA-N 366.490 3.672 0 40 FHAB CCCC(CCC)N1CCOC[C@@](O)(COc2ccc(Cl)cc2)C1 585284620 YWIUUMGPYMDASY-LJQANCHMSA-N 355.906 3.751 0 40 FHAB FC(F)(F)c1cccc(OCC2CCN(Cc3ccncc3)CC2)n1 1775995257 KJJOECZRIFZYTL-UHFFFAOYSA-N 351.372 3.786 0 40 FHAB CC1=NN(c2ccc(C(=O)NCCc3c[nH]c4cc(F)ccc34)cc2)CC1 50765994 ZBHIXVGSASVGFZ-UHFFFAOYSA-N 364.424 3.866 0 40 FHAB COc1cc(OC)cc(OCC(=O)N2CCC(Cc3ccccc3)CC2)c1 5497046 VIEUNSFCQDZRRQ-UHFFFAOYSA-N 369.461 3.564 0 40 FHAB Cc1nc([C@H](Cc2ccsc2)NC(=O)c2cnn(C)c2C)sc1C 12228054 CQAHVXGMXCTYGH-HNNXBMFYSA-N 360.508 3.577 0 40 FHAB COc1cccc(CNc2ncc(-c3cnccn3)c(-c3ccoc3)n2)c1 12329802 AMIKMZCCWVKJOL-UHFFFAOYSA-N 359.389 3.814 0 40 FHAB CCOc1ccccc1NC(=O)COc1cc2ccccc2cc1C(=O)O 13080349 NJEKYXCJQBWVBI-UHFFFAOYSA-N 365.385 3.954 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1ccc(C)c(C)c1 14796218 SUZGBIIUAOBMQK-INIZCTEOSA-N 354.450 3.849 0 40 FHAB COc1cccc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)c1 17073035 MIQBNBQKPCAPAN-UHFFFAOYSA-N 352.415 3.681 0 40 FHAB O=C(COc1ccc(F)cc1F)N1CCC[C@H](c2cc3ncccc3[nH]2)C1 19345289 OSDGOTITXNQFPY-ZDUSSCGKSA-N 371.387 3.626 0 40 FHAB COc1ccc(CN(C[C@@H]2CCOC2)C2CC(C)(C)NC(C)(C)C2)cc1 19460999 HHNZGVTXKLEKBJ-SFHVURJKSA-N 360.542 3.843 0 40 FHAB Cc1ncsc1-c1nc(N2CCOCC2)ncc1-c1ccc(F)cc1 19562371 YHYFKKJMNSNKKA-UHFFFAOYSA-N 356.426 3.551 0 40 FHAB Cc1cc(C)n(C2CCN(Cc3c(C)nc4ccc(Cl)cn34)CC2)n1 19658706 COIBQZGBSKJTLG-UHFFFAOYSA-N 357.889 3.947 0 40 FHAB Cc1ccc(C2(Cn3cncc3-c3cn(C)nc3C)CCOCC2)cc1 19719441 VPEWKWUWGACZFH-UHFFFAOYSA-N 350.466 3.649 0 40 FHAB COc1ccc2c(c1)OCCN([C@H](C)c1nc(-c3ccccc3)no1)C2 585080529 IFTTUMMUFQSLJS-CQSZACIVSA-N 351.406 3.701 0 40 FHAB CCOc1ccc(NC(=O)CSc2nncn2-c2ccccc2F)cc1 4891090 WBYITTAKCOAKTQ-UHFFFAOYSA-N 372.425 3.536 0 40 FHAB O=C(CCc1ccc(F)c(Cl)c1)N1CC[C@@H]2CN(c3ccccn3)C[C@H]21 1889149510 PTAUKSPHWOVPFV-CRAIPNDOSA-N 373.859 3.544 0 40 FHAB CCc1noc(CSc2nnc(-c3ccco3)n2-c2ccccc2)n1 24988311 IJUSBBZTKFFRNA-UHFFFAOYSA-N 353.407 3.765 0 40 FHAB CC(=O)N1CCc2c(c(=O)c3cc(C)ccc3n2Cc2ccc(C)cc2)C1 1775966744 XCKAPBYTMAQKJX-UHFFFAOYSA-N 360.457 3.571 0 40 FHAB COc1cccc([C@H](c2sc3nc(C)nn3c2O)N2CCC(C)CC2)c1 23157827 LPGOIQVNJVIVSZ-MRXNPFEDSA-N 372.494 3.635 0 40 FHAB Cc1ccc(NC(=O)CSc2ccc(F)cc2)cc1N1CCCC1=O 38677641 ADEWOACLBYXMKF-UHFFFAOYSA-N 358.438 3.992 0 40 FHAB C[C@@H](C(=O)Nc1cccc(Oc2cnccn2)c1)n1cnc2ccccc21 30693878 WJTLZEYDLRYMHD-AWEZNQCLSA-N 359.389 3.818 0 40 FHAB Cc1nn(C)c2ncc(NC(=O)/C=C/c3ccccc3Br)cc12 32899799 PKEPZNVNQBJOFC-BQYQJAHWSA-N 371.238 3.691 0 40 FHAB Cc1ccc(NC(=O)c2cn(-c3ccccc3Br)nn2)cc1 32815665 WXUNNWJOXFCMLI-UHFFFAOYSA-N 357.211 3.591 0 40 FHAB CC(C)c1ccc([C@@H](C)NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1 32900218 FXCYAKUIMHLUDO-OAHLLOKOSA-N 374.506 3.697 0 40 FHAB O=C(Nc1cccc(Cl)c1F)c1cccc(NC(=O)[C@H]2CCCO2)c1 22963355 CIBUYXPIDNITJR-OAHLLOKOSA-N 362.788 3.849 0 40 FHAB CCNC(=O)c1c(NC(=O)COc2cccc(C)c2)sc2c1CCCC2 858391 RXPVIIHUGFUJRD-UHFFFAOYSA-N 372.490 3.703 0 40 FHAB O=C(C[C@@H]1Nc2ccccc2NC1=O)Nc1cc(Cl)ccc1Cl 849877 AGQNHLJHKMRIAE-AWEZNQCLSA-N 350.205 3.755 0 40 FHAB Cn1/c(=N\C(=O)/C=C/c2ccc3c(c2)OCCCO3)sc2ccccc21 104992273 LRJNSUXBWJGZOW-NYSBUUPOSA-N 366.442 3.542 0 40 FHAB Cc1ccccc1NCCC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 24468821 BPNQZXOEWDDLDN-UHFFFAOYSA-N 353.466 3.964 0 40 FHAB COc1cccc(C(=O)N2N=C(C(F)(F)F)C[C@]2(O)C2CCCCC2)c1 857374 MJABNKDAIWYTLS-KRWDZBQOSA-N 370.371 3.728 0 40 FHAB Cc1cc(C)c(CNC(=O)c2cccc3c4c([nH]c23)CCCCC4)c(=O)[nH]1 24752456 INDUHIYRWQRYAN-UHFFFAOYSA-N 363.461 3.672 0 40 FHAB CCOc1ccccc1NC(=O)[C@H]1CCCN1C(=O)Nc1cccc(F)c1 1343300 YJGFQYIEWIEFAG-QGZVFWFLSA-N 371.412 3.859 0 40 FHAB COc1ccc2c(c1)c(C(=O)NCCc1c[nH]c3ccc(F)cc13)cn2C 79188896 YIXFSGIHHJZFSF-UHFFFAOYSA-N 365.408 3.780 0 40 FHAB biogenic Cn1cc(CCCC(=O)NCCn2cnc3ccccc32)c2ccccc21 79474222 VNDHOTZMWMLPFV-UHFFFAOYSA-N 360.461 3.667 0 40 FHAB CC[C@@H](C)c1ccccc1OC[C@@H](O)CN1C(C)(C)CC(O)CC1(C)C 2694547 VLWDXHLABKTLOC-AEFFLSMTSA-N 363.542 3.954 0 40 FHAB Cc1cc(N(C)[C@H](C)c2ccc(F)c(F)c2)n2nc(C(F)(F)F)nc2n1 25494405 GYTWECJUVBTART-SECBINFHSA-N 371.313 3.927 0 40 FHAB COc1cc(CN[C@@H]2CCC[C@H](C)[C@@H]2C)ccc1OCC(=O)N1CCCC1 107326526 XLTHLDILRPMXCA-JENIJYKNSA-N 374.525 3.611 0 40 FHAB CCN(CC)CCCNC(=O)c1sc2nc(-c3ccccc3)cn2c1C 4930777 BRIWWKGJMLDFNS-UHFFFAOYSA-N 370.522 3.833 0 40 FHAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3c(C)cc(C)cc3C)ccc21 6729081 XDURNEMRSYFTAO-UHFFFAOYSA-N 372.490 3.712 0 40 FHAB CCCn1nnnc1NCc1ccccc1OCc1ccccc1Cl 7263466 MDJVZCTXXCYBMO-UHFFFAOYSA-N 357.845 3.928 0 40 FHAB Cc1cc(C(=O)Nc2ccc3ccccc3c2)ccc1NS(C)(=O)=O 10314734 TYURDLZHSKQDBQ-UHFFFAOYSA-N 354.431 3.772 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCC(C)C)ccc2C)cc1 10329526 UXSKZGQYCRRWLI-UHFFFAOYSA-N 374.506 3.880 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)COc2ccc(Cl)c(C)c2)c1 8154320 BGWXRCJQBFQDHA-ZDUSSCGKSA-N 363.841 3.922 0 40 FHAB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1ccco1 8433685 CMPFDYBTRSVQTL-UHFFFAOYSA-N 372.602 3.799 0 40 FHAB Cc1cc(Cl)ccc1NC(=O)CSc1nc2sccc2c(=O)[nH]1 8456597 ZQZMKUFJSUZVPD-UHFFFAOYSA-N 365.867 3.677 0 40 FHAB Cc1ccc(-n2ccnc2S[C@H](C)C(=O)NCc2ccco2)cc1C 10271158 XEGZNZBHVDNEDA-OAHLLOKOSA-N 355.463 3.879 0 40 FHAB C[C@]12CC3CC(C(=O)N4CCN(C(=O)c5ccco5)CC4)(C1)C[C@](C)(C3)C2 100798567 GYKXKAJDEIRFEP-YMFKYVHRSA-N 370.493 3.561 0 40 FHAB CCN(c1ccccc1)S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)O)c1 58488221 IFAHKYURMFEDAJ-UHFFFAOYSA-N 374.245 3.907 0 40 FHAB CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cccc(Cl)c1 2289385 YIPXHPPKCBZJJI-QGZVFWFLSA-N 356.809 3.668 0 40 FHAB C[C@@H]1CCC[C@H](NC(=O)[C@@H](C)N2CCC(C(=O)c3ccccc3)CC2)[C@@H]1C 36397393 NJUFYTNHPFJELG-IKVWTGGYSA-N 370.537 3.911 0 40 FHAB CCc1c(C)c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2oc1=O 2319954 YULIVZHFZFWTMS-UHFFFAOYSA-N 351.402 3.990 0 40 FHAB COc1cccc([C@@H]2C[C@@H](c3cccc(Cl)c3)n3nc(N)nc3N2)c1 2396190 MZELGKBTALBKDW-HOTGVXAUSA-N 355.829 3.669 0 40 FHAB CCc1ccc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2C)cc1 2354164 CEGLSXONLAMFMV-UHFFFAOYSA-N 351.402 3.990 0 40 FHAB COc1ccc(NC(=O)[C@H](C)Oc2cccc3c2CCC3=O)cc1Cl 11100735 PWEZZCDQPNALSC-NSHDSACASA-N 359.809 3.884 0 40 FHAB CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@@H]1c1ccc(C)cc1 2487164 ATDBHRVEDAQHAD-GOEBONIOSA-N 358.463 3.597 0 40 FHAB Cc1nc(NCCc2csc(-c3ccccc3Cl)n2)nc(N(C)C)n1 95442242 PZVYSYFSTCUBDH-UHFFFAOYSA-N 374.901 3.678 0 40 FHAB CC[C@H]1SC2=NC(C)=C(C(=O)OC)[C@H](c3ccc(Cl)cc3)N2C1=O 2463391 JVOCKWNHCVYOMY-OCCSQVGLSA-N 364.854 3.552 0 40 FHAB COc1cc([C@@H]2N(Cc3ccco3)C(=O)c3ccccc3N2C)ccc1O 28923910 MTICISLRXKQRNZ-FQEVSTJZSA-N 364.401 3.785 0 40 FHAB Cc1c(C(=O)NCCc2ccccc2F)cnn1-c1cccc(Cl)c1 24567340 ABOMRORCFLLKMG-UHFFFAOYSA-N 357.816 3.946 0 40 FHAB COc1ccc(Cl)cc1N[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1=O 102988220 UIYMSZURKISWCI-OAHLLOKOSA-N 358.825 3.709 0 40 FHAB COC(=O)c1ccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C)c(C)c1 29653616 PEHGJWYXDPCGKN-UHFFFAOYSA-N 363.417 3.836 0 40 FHAB COc1ccc2cc(CNC(=O)CCn3cnc4ccccc43)ccc2c1 29980762 AYZOQGGCEWSSHF-UHFFFAOYSA-N 359.429 3.905 0 40 FHAB COC(=O)C[C@H](NC(=O)c1cnc(-c2ccccc2)s1)c1cccs1 47074779 PJKJFLZFFITYCI-ZDUSSCGKSA-N 372.471 3.906 0 40 FHAB Cc1nc(N2CC[C@H]3CCOC(=O)[C@@H]32)c2cc(-c3ccccc3)sc2n1 95976192 PDZKOBQAOUEIDL-WMLDXEAASA-N 365.458 3.809 0 40 FHAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)N2CCCC[C@@H]2C)c(=O)c1C 57528032 DVSPSMFIDDCPQT-ZDUSSCGKSA-N 373.884 3.582 0 40 FHAB COc1ccc(C(C)(C)C)cc1NC(=O)CNC(=O)c1ccccc1F 3533680 RPXCJJHAACSCDR-UHFFFAOYSA-N 358.413 3.500 0 40 FHAB Cc1ccc(C(=O)NCC(=O)N(C)Cc2ccc3ccccc3c2)cc1C 12944843 GIAINQTZINYEHG-UHFFFAOYSA-N 360.457 3.845 0 40 FHAB COc1cccc(N2C[C@@H](C(=O)Nc3c(C)cc(C)cc3Cl)CC2=O)c1 12900563 NOSSWBQCSCGIQU-AWEZNQCLSA-N 372.852 3.957 0 40 FHAB C[C@@H](NC(=O)NCCc1cccs1)c1ccc(NC(=O)C2CC2)cc1 12986101 QRSYQPRPMYUIFK-CYBMUJFWSA-N 357.479 3.700 0 40 FHAB O=c1c2ccc(Cl)cc2ncn1Cc1nc(-c2ccc(Cl)cc2)no1 12996479 VILNZIGBVKUMCX-UHFFFAOYSA-N 373.199 3.802 0 40 FHAB c1csc(CN2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 306123053 ADMHQNACDXMBAO-QGZVFWFLSA-N 361.474 3.842 0 40 FHAB COCc1nnc(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)s1 19560997 UAJIURUECPXOEO-UHFFFAOYSA-N 364.427 3.508 0 40 FHAB CCOC(=O)c1sc(NC(=O)/C=C/c2ccc3ccccc3n2)nc1C 13140854 ORIYANJKFSTZHR-ZHACJKMWSA-N 367.430 3.828 0 40 FHAB CC(=O)c1cccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1 6154028 YVVLIWSZJINTJE-UHFFFAOYSA-N 361.323 3.896 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1c2ccccc2OC[C@H]1C 72531525 UAWRAWFRAQDDDT-OAHLLOKOSA-N 361.445 3.846 0 40 FHAB O=C(CSc1cc(Cl)ccc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1 9452995 GRHCOYAYXKQMEB-UHFFFAOYSA-N 368.245 3.894 0 40 FHAB Cn1cc(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)c2ccccc21 5703410 NYGMITHBRZMDDP-LJQANCHMSA-N 362.429 3.529 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)NCCc3ccccc3)o2)cc1C 9455400 ZTUHWAWISMOJGH-UHFFFAOYSA-N 367.474 3.804 0 40 FHAB COc1cccc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)c1 5980762 YGMHRQMADUQAPX-UHFFFAOYSA-N 353.296 3.510 0 40 FHAB Cc1cc(OCC(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1Cl 7640263 FXFHGBIRIAQSAJ-UHFFFAOYSA-N 358.825 3.793 0 40 FHAB CCSc1cc(C(=O)N[C@@H](C)c2cccc(N3CCOC3=O)c2)ccn1 68659088 FAHAPLANMIYEIF-ZDUSSCGKSA-N 371.462 3.641 0 40 FHAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(Cl)c2F)cc1 8015396 SHKFXBZYAVPHDC-UHFFFAOYSA-N 355.818 3.590 0 40 FHAB O=C(CSc1nnnn1Cc1cccs1)c1cc2ccccc2o1 8128950 RGMKEEAPSCPOSM-UHFFFAOYSA-N 356.432 3.504 0 40 FHAB CCCn1c(S)nnc1-c1cc(C2CC2)nc2c1c(C1CC1)nn2C 17073369 GMPGYTOTIKBDGM-UHFFFAOYSA-N 354.483 3.680 0 40 FHAB Cc1csc(SCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)n1 17324628 KCXJNSRQAHOAQX-ZIAGYGMSSA-N 362.520 3.993 0 40 FHAB CCCNC(=O)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 408979157 PGRFQUXDAFQIOW-UHFFFAOYSA-N 369.428 3.894 0 40 FHAB CCCCNc1nnc(S[C@@H](C(=O)NC2CC2)c2ccccc2)s1 17656656 JQWDGTYTBKFGAF-CQSZACIVSA-N 362.524 3.862 0 40 FHAB COc1cccc(NC(=O)Nc2nnc(-c3ccc4c(c3)OCO4)s2)c1 8738711 NGZAHXOCDFZTOM-UHFFFAOYSA-N 370.390 3.586 0 40 FHAB O=C(Cc1ccc(Br)cc1)Nc1ccc(C(=O)O)c(Cl)c1 20137185 REHYBNIARSBFAO-UHFFFAOYSA-N 368.614 3.982 0 40 FHAB Cc1nc(C(C)C)sc1[C@H](C)N(C)CC(=O)NC(=O)Nc1ccccc1 89558933 XQCBKIKMWVKOIZ-AWEZNQCLSA-N 374.510 3.916 0 40 FHAB O=C(NCC1(c2ccncc2)CC1)c1cc(-c2ccccc2Cl)[nH]n1 89821241 QDASNULODHPABH-UHFFFAOYSA-N 352.825 3.587 0 40 FHAB CC[C@@H](O)[C@@H](C)c1nnc(N2Cc3ccccc3C2)n1Cc1ccccc1 1521706842 VYIGWSBLYQPKHC-OXQOHEQNSA-N 362.477 3.721 0 40 FHAB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc(C)ccn1 32843883 FLEFVEJAEFFTAZ-MAUKXSAKSA-N 355.438 3.670 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 408998124 AJBUOJCFCCXRIV-SZMVWBNQSA-N 360.498 3.817 0 40 FHAB O=C1NCCc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc21 70638287 XTAGYLMYRUUNFX-UHFFFAOYSA-N 356.425 3.743 0 40 FHAB O=C(CCCc1ccccc1)N1CCC[C@H](c2cccc(-n3ccnc3)n2)C1 72378551 IQEPLQNGEBOZLQ-FQEVSTJZSA-N 374.488 3.996 0 40 FHAB COc1ccc(-c2nnc(NC(=O)COc3ccc(C)cc3)s2)cc1 136409851 FAHLMKGFAFCXLV-UHFFFAOYSA-N 355.419 3.540 0 40 FHAB O=c1c2ccccc2nnn1Cc1ccc(OCc2ccc(F)cc2)cc1 63533018 MRKKLGMLZQCUFL-UHFFFAOYSA-N 361.376 3.558 0 40 FHAB Cc1cccc(-n2ccc(=O)c(-c3nc(-c4cccc(Cl)c4)no3)n2)c1 49006339 DJAOMKZFYLCEJW-UHFFFAOYSA-N 364.792 3.911 0 40 FHAB Cc1ccc(C(=O)N2CCCc3cc(C(=O)NCC(C)C)ccc32)cc1 46078500 LNDVSGYDHQETEA-UHFFFAOYSA-N 350.462 3.974 0 40 FHAB Cc1ccc(CS(=O)(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224672185 IJBFZIMSBNHAHU-UHFFFAOYSA-N 372.534 3.601 0 40 FHAB COC(=O)c1cc(NC(=O)C2(OC)CCC(C)CC2)ccc1OC(C)C 225810497 SFWXYLPAAYLNAC-UHFFFAOYSA-N 363.454 3.794 0 40 FHAB c1cc2c(cc1CCSc1nnc(N3CCCCC3)n1C1CC1)CCO2 134187816 AKDXXDZNAWBKJI-UHFFFAOYSA-N 370.522 3.873 0 40 FHAB COc1ccc(NC(=S)NCCOc2ccccc2Cl)cc1OC 225779648 QHSASKZNIBPHBD-UHFFFAOYSA-N 366.870 3.723 0 40 FHAB CCc1ccc(CC)c(CNC(=O)CCc2ccc3c(c2)OCCO3)c1 223238663 BEBPPPQZTBSTLJ-UHFFFAOYSA-N 353.462 3.832 0 40 FHAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1 223842798 DWCLSDYVLDUOQL-ZWKOTPCHSA-N 351.431 3.866 0 40 FHAB CC(C)c1ccc(NC(=O)CN2C(=O)COc3cc(Cl)ccc32)cc1 44841694 UWFPZYJPOBCFFE-UHFFFAOYSA-N 358.825 3.828 0 40 FHAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc[nH]1 224555265 SPDJOTPWTZGFBO-QZTJIDSGSA-N 350.447 3.595 0 40 FHAB COCc1cc(=O)[nH]c2cc(NC(=O)c3ccc(-n4cccc4)cc3)ccc12 49031113 KFEQRTCJAARWSF-UHFFFAOYSA-N 373.412 3.718 0 40 FHAB Cc1cc(C)cc(C(=O)c2ccccc2CN2CCC3(CC2)OCCO3)c1 85651577 JXGZWSAYXCHCKW-UHFFFAOYSA-N 365.473 3.873 0 40 FHAB CCCNC(=O)c1cc2c(c3ccccc3n2CC2CC2)n1C(=O)N(C)C 96146504 KLDSOMRUXAISTI-UHFFFAOYSA-N 366.465 3.676 0 40 FHAB O=C(O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2ccc(Cl)cn2)CC1 621544002 MAXJELXCPNGGAN-KRWDZBQOSA-N 372.852 3.846 0 40 FHAB O=C(NCCc1ccc(C2CCCCC2)cc1)N1CC[C@H](n2cncn2)C1 661521908 CLGQODRJBPCRIK-FQEVSTJZSA-N 367.497 3.525 0 40 FHAB C[C@@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)c1cccc(O)c1 1234064418 WJMVKJFOXPJWJE-VLIAUNLRSA-N 350.418 3.639 0 40 FHAB CC(C)(C)OC(=O)NC1(CNC(=O)Nc2ccc3cc[nH]c3c2)CCC1 1321115914 UQALRSPUVATIRA-UHFFFAOYSA-N 358.442 3.737 0 40 FHAB c1ccc2c(CN3CCC[C@@H](Cc4cnc(-c5ncc[nH]5)cn4)C3)c[nH]c2c1 585182389 GDKRSPIFVNRRAP-INIZCTEOSA-N 372.476 3.803 0 40 FHAB COc1ccccc1CN(C)[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O 585285608 PLMVOCVZQHQMTE-CEWLAPEOSA-N 359.441 3.627 0 40 FHAB Cc1cc(C(=O)N2[C@H]3CC[C@H]2CC(n2cc(C(C)(C)C)nn2)C3)c(C)o1 1775974368 ZKZYGKURLXOPOO-GJZGRUSLSA-N 356.470 3.794 0 40 FHAB CCCCCC[C@@H](O)C/C=C/CCCCCCCC(=O)OC[C@@H](O)CO 13532431 HDIFHQMREAYYJW-ALHCXDLNSA-N 372.546 3.891 0 40 FHAB C[C@H](NC(=O)CCNC(=O)NC1CCCCC1)c1cc2ccccc2o1 14899361 IEAOYAPBDLFPLG-AWEZNQCLSA-N 357.454 3.632 0 40 FHAB Fc1ccc(CN2CCO[C@@H](c3nc(-c4ccccc4)no3)C2)cc1F 19374356 IOHPFUWZZQAEMH-QGZVFWFLSA-N 357.360 3.588 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)C[C@H](C)n2nc(C)cc2C)c(OC)c1 19572846 RDODCXKTBBCFIE-QFBILLFUSA-N 371.481 3.832 0 40 FHAB Cc1cc(C)n(CCCC(=O)N[C@H](Cc2cccs2)c2nccs2)n1 19574146 ITKVLOYKHHXIGR-MRXNPFEDSA-N 374.535 3.898 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)C[C@@H](C)n3nc(C)c(Cl)c3C)ccc21 19577573 FICUCOHCPSHLKV-LLVKDONJSA-N 374.872 3.652 0 40 FHAB CC(C)(C)c1csc(CCNC(=O)CC[C@@H]2C(=O)Nc3ccccc32)n1 19714363 XBPLWJJMUVNSJQ-AWEZNQCLSA-N 371.506 3.615 0 40 FHAB Cc1cccc(CNC(=O)NC2(c3cccc(OC(F)(F)F)c3)CC2)n1 654389794 JQUDMQBXMGJEHM-UHFFFAOYSA-N 365.355 3.777 0 40 FHAB O=C(O)C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 13223898 DTIJTECCJKCRLO-AWEZNQCLSA-N 368.216 3.704 0 40 FHAB C[C@H](O)[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@]4(C)C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 253617547 UUNZVNLAFCAUHR-SBISDMSGSA-N 350.543 3.892 0 40 FHAB CC(=O)N[C@]12CCO[C@@H](c3cccc(F)c3)[C@@H]1C[C@H]1C[C@H]2[C@@H](C)NC1(C)C 1848356625 JICOSZIANZOQLG-MDPKDYAHSA-N 374.500 3.575 0 40 FHAB O=C(CCc1ccc(Cl)c(Cl)c1)N1CC(N2C[C@H]3CCC[C@H]3C2)C1 1889250139 FHIQBMPIVYMRDL-GASCZTMLSA-N 367.320 3.869 0 40 FHAB CCc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccccc4C)no3)n2)cc1 16845600 XDXFHGHNUAFVEO-UHFFFAOYSA-N 372.428 3.879 0 40 FHAB Cc1ccc(CN2CCC[C@](Nc3ccccc3)(C(=O)N(C)C)C2)s1 2055751051 BXGJAPSXIXETHA-HXUWFJFHSA-N 357.523 3.591 0 40 FHAB c1nc(Nc2cnn(C[C@H]3CCCO3)c2)c2c3c(sc2n1)CCCC3 40139285 GFAQXCOTTOMKAL-CYBMUJFWSA-N 355.467 3.689 0 40 FHAB C[C@@H](Cc1ccccc1Cl)NC(=O)c1ccc(Cn2ccnc2)cc1 40112072 XDMYYYIFLKOUCU-HNNXBMFYSA-N 353.853 3.946 0 40 FHAB Nn1cc(-c2ccccc2)nc1SCc1nc(Cc2ccccc2)no1 31645664 KTXGGRCBPRDXGS-UHFFFAOYSA-N 363.446 3.530 0 40 FHAB CCN1CCc2nc(NC(=O)CCc3c[nH]c4ccccc34)sc2C1 21294912 FBKIJQUPFOYABL-UHFFFAOYSA-N 354.479 3.574 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)CCC(=O)c3cc(C)ccc3C)ccc21 32731339 CWZRDXXAGXFAEF-UHFFFAOYSA-N 364.445 3.814 0 40 FHAB CCOC(=O)[C@@H]1CSCCN1C(=O)c1sc2ccccc2c1Cl 32894241 QVIUMKANGPBINF-NSHDSACASA-N 369.895 3.675 0 40 FHAB COc1cc(NC(=O)c2cc(-c3ccc(C)cc3)on2)cc(OC)c1OC 815067 FDTBKLKBDDORRV-UHFFFAOYSA-N 368.389 3.928 0 40 FHAB Cc1ccc(OCC(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 959649 XUBPWTZACZPENS-UHFFFAOYSA-N 368.216 3.863 0 40 FHAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N(C)CCOc1ccccc1Cl 23703131 TXEQXMBRGHSDNX-CYBMUJFWSA-N 357.841 3.648 0 40 FHAB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(C(C)(C)C)cc2)NC(=S)N1 702283 NGNGHUBBBULGMU-QGZVFWFLSA-N 360.523 3.976 0 40 FHAB COc1ccc2c(c1)S[C@@H](CC(=O)Nc1ccc3c(c1)OCO3)C(O)=N2 61718607 RMCARKCUOOMZRT-INIZCTEOSA-N 372.402 3.515 0 40 FHAB CCc1nc2ccccc2c(C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)c1C 3474638 RLECMWYJTSOJSZ-KBXCAEBGSA-N 368.477 3.957 0 40 FHAB COC(=O)C1(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)CCCCC1 25175750 IGDCGTMUTJWASS-GFCCVEGCSA-N 355.887 3.813 0 40 FHAB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3=C(C)C)[C@H]2C1=O 4436332 QUGHVESQNBDHPS-FYXYJPLOSA-N 365.429 3.546 0 40 FHAB Cc1cc([C@H]2CCCN2C(=O)C2CCN(Cc3ccccc3)CC2)no1 57154921 WROJPDKCDJUCMI-HXUWFJFHSA-N 353.466 3.559 0 40 FHAB COc1ccc(NC(C)(C)c2nnnn2-c2c(C)cccc2C)cc1OC 35622760 QPOXXKDBYVXTEU-UHFFFAOYSA-N 367.453 3.644 0 40 FHAB C[C@@H](NC(=O)CN1CCC[C@H]1c1cccn1C)c1cc2ccccc2o1 103994145 QWZBFOWGJSWULM-QAPCUYQASA-N 351.450 3.786 0 40 FHAB CN(C)[C@@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(F)c1 27592047 KMARFWVFCBSPCP-KRWDZBQOSA-N 368.374 3.806 0 40 FHAB COc1ccc(-c2nsc(NC(=O)c3cccc(C)c3)n2)cc1OC 27662357 UZFYCLALODGAOT-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB CC[C@@H](C)Nc1nnc(SCc2nc3c(C)cccc3c(=O)[nH]2)s1 9607593 YCZWJHREBMEEKA-SNVBAGLBSA-N 361.496 3.586 0 40 FHAB O=C(CN1CCc2sccc2C1)Nc1ccc(OC(F)(F)F)cc1 10340959 ARVDHDSUSGTZEN-UHFFFAOYSA-N 356.369 3.644 0 40 FHAB CCc1ccc(NC(=O)C(=O)NCCOc2cccc3ccccc23)cc1 59417426 DGXJKOZLLUSSPD-UHFFFAOYSA-N 362.429 3.536 0 40 FHAB CCOC(=O)[C@](NC(=O)CC(C)C)(Nc1ccc(C)cc1C)C(F)(F)F 2271644 XYPLSDNWFZQPFC-QGZVFWFLSA-N 374.403 3.699 0 40 FHAB CC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1Cl 10943795 PLBRLZJKHYNDQF-GFCCVEGCSA-N 374.872 3.804 0 40 FHAB COc1ccc(O[C@@H](C)C(=O)N[C@H](c2ccccc2)C(F)(F)F)cc1 59301637 AFXDERATUSUJTD-BLLLJJGKSA-N 353.340 3.882 0 40 FHAB Cc1cccc(N2C[C@@H](C(=O)N[C@@H](C)CCc3ccccc3)CC2=O)c1C 28198431 PXKMYPDUHIBERF-PXNSSMCTSA-N 364.489 3.794 0 40 FHAB CC(C)CN1CCC(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 46049968 MPAHNUPOMOJXGO-ZDUSSCGKSA-N 373.324 3.997 0 40 FHAB C[C@@H]1CC(=O)c2cn3nc(SCc4ccc(Cl)cc4)nc3nc2C1 20632339 RMSNQRUGBYHFPY-JTQLQIEISA-N 358.854 3.835 0 40 FHAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]2[C@@H]2CC[C@@H]3C2)ccc1O 102026751 KNUWZJNVRUBDEL-CNSIFVFBSA-N 361.488 3.803 0 40 FHAB O=Cc1cc(Br)ccc1OCC(=O)Nc1ccc2c(c1)CCC2 2616854 VDWQUAHSSJCDNO-UHFFFAOYSA-N 374.234 3.768 0 40 FHAB CCn1nc(C)c(NC(=O)[C@@H](C)n2nc(C(F)F)c(Cl)c2C)c1C 2778727 WUBBKBKMVXEFJR-SNVBAGLBSA-N 359.808 3.815 0 40 FHAB Brc1ccc(Oc2ncc(CN3CCOCC3)s2)cc1 20218620 KVUVSNHAFFHHHH-UHFFFAOYSA-N 355.257 3.530 0 40 FHAB CCCc1nnc(SCc2nnc(-c3cccc(OC)c3)o2)n1CC 20034014 KKBCLACPAKQRIP-UHFFFAOYSA-N 359.455 3.601 0 40 FHAB C[C@@H](NC(=O)C1CCCCC1)c1cc(O)n2nc(-c3cccs3)cc2n1 100769308 UGGSKDWTZAJGBG-GFCCVEGCSA-N 370.478 3.921 0 40 FHAB COc1ccc(C(=O)OCC(=O)Nc2cccc3ccccc23)c(OC)c1 3361807 MEPCTTHFWXSGCP-UHFFFAOYSA-N 365.385 3.653 0 40 FHAB CCN(CC)Cc1ccc(CNC(=O)NCc2ccc(OC)cc2)cc1 12877422 YVANNIQFTLHKBV-UHFFFAOYSA-N 355.482 3.536 0 40 FHAB CCOC(=O)c1cccc(NS(=O)(=O)Cc2c(F)cccc2Cl)c1 10112276 ODDSOKSQJFMRDM-UHFFFAOYSA-N 371.817 3.598 0 40 FHAB COc1cc(CC(=O)NCCc2ccc(Br)s2)ccc1C 10502792 MOUKRZMKRCZDGS-UHFFFAOYSA-N 368.296 3.729 0 40 FHAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)Cn1ccnc1 10809484 LSHJNUGRZMYRDB-UHFFFAOYSA-N 369.446 3.735 0 40 FHAB Cc1cc(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c(C)o1 27931239 CDHDAOFJFUAMPB-UHFFFAOYSA-N 350.821 3.647 0 40 FHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCc2sccc2[C@@H]1C 13008777 LTWUPPOYWDVCFO-KBPBESRZSA-N 358.463 3.509 0 40 FHAB COc1ccccc1CNC(=O)[C@H](CC(C)C)NC(=O)C1CCC(C)CC1 3895864 UHFMAYUAVVOXLW-TVPLGVNVSA-N 374.525 3.669 0 40 FHAB O=C1C[C@@H](c2nc3ccccc3[nH]2)CN1c1ccccc1Br 4033459 BLDDMZXXFLERKE-LLVKDONJSA-N 356.223 3.846 0 40 FHAB O=S(=O)(Cc1ccc(Br)cc1)c1cccc2cccnc12 4133094 XPULEGHBUSFNIT-UHFFFAOYSA-N 362.248 3.971 0 40 FHAB Cc1ccc(N2CCN(CC(=O)Nc3cc(C)ccc3C)C[C@@H]2C)cc1 13737015 PDFKFKTTWXERBC-IBGZPJMESA-N 351.494 3.761 0 40 FHAB Cc1ccc(F)cc1NC(=O)c1ccc(I)cc1 6206079 GTZQJWDLUGOYEK-UHFFFAOYSA-N 355.150 3.991 0 40 FHAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccc(F)cc1F 14138821 PDQYEFDBDWPVFI-KRWDZBQOSA-N 374.387 3.512 0 40 FHAB O=C(COc1ccc2ccccc2c1)N1CCC[C@@H]1c1nnc2ccccn12 14171524 LNMSWDXNVKWGOP-LJQANCHMSA-N 372.428 3.625 0 40 FHAB O=C(CSc1ccc(-c2ccccc2)nn1)NC(=O)Nc1ccccc1 19797173 ZMODJBRNBVTBGR-UHFFFAOYSA-N 364.430 3.584 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1 5440249 IHXFZSVRJGBHRD-UHFFFAOYSA-N 374.824 3.736 0 40 FHAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 6590099 ICVUHQWTNCQJBA-CABCVRRESA-N 367.430 3.668 0 40 FHAB N=c1sc(SCc2ccccc2F)nn1CC(=O)c1cccs1 4672477 HVWFCSKHWOSSQA-UHFFFAOYSA-N 365.480 3.800 0 40 FHAB CCOC(=O)[C@]1(c2c[nH]c3ccccc23)Sc2ccccc2NC1=O 6784440 OLPIFCGLVYIENC-LJQANCHMSA-N 352.415 3.671 0 40 FHAB COc1ccc(N[C@@H]2CC(=O)N(c3c(C)cccc3C)C2=O)cc1Cl 6935369 UQVVCGCPFLGMPC-OAHLLOKOSA-N 358.825 3.709 0 40 FHAB CCc1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 22518254 TZCTXFKNBCERLT-UHFFFAOYSA-N 352.843 3.526 0 40 FHAB c1csc(-c2cc3c(N4CCC(N5CCCCC5)CC4)nccn3n2)c1 67285185 HLDIFVIDFRDNQC-UHFFFAOYSA-N 367.522 3.913 0 40 FHAB O=C(CCCn1c(=O)oc2ccccc21)Nc1cccc2c1CCCC2 15302498 UNVNYBJAUFKRSQ-UHFFFAOYSA-N 350.418 3.892 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC2 7054182 SGVRMAZTBOIFSS-AWEZNQCLSA-N 372.490 3.504 0 40 FHAB CSC[C@H]1CCN(C(=O)c2sc(NC(=O)C(C)(C)C)cc2C)C1 95960770 UCLCAAKMRBBZLH-LBPRGKRZSA-N 354.541 3.866 0 40 FHAB O=C(Nc1nnc(SCc2ccccc2Cl)s1)[C@@H]1CCCO1 61997255 JIBURFAKDNOOST-NSHDSACASA-N 355.872 3.601 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2sc(-c3ccccn3)nc2C)cc1 8007034 LGAWXFJQEALVNW-UHFFFAOYSA-N 352.419 3.724 0 40 FHAB Cc1cc(C(=O)OCC(=O)N2CCCC[C@H]2C)c(C)n1Cc1ccccc1 16685141 AOHQBHYUJFVOJO-MRXNPFEDSA-N 368.477 3.711 0 40 FHAB CC[C@@H](NC(=O)c1nn(C)c(C)c1Br)c1ccc(C)cc1 28236392 HYQGXKCLRYFKID-CYBMUJFWSA-N 350.260 3.681 0 40 FHAB CC1CCN(CC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)CC1 8212400 DGTWBBMCFBEKSX-FQEVSTJZSA-N 350.462 3.885 0 40 FHAB Cc1ccc(N2CCOC2=O)cc1NC(=O)N1CCc2cc(F)ccc2C1 92058890 NYDGYLXPGNEMRU-UHFFFAOYSA-N 369.396 3.681 0 40 FHAB CCN(CC)c1ccc2nc(C)c(CN(C)C3CCN(C)CC3)c(O)c2c1 8717382 YYIJTQMHJOTATD-UHFFFAOYSA-N 370.541 3.621 0 40 FHAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)n1 61108491 NZJPPGXTXIGUGJ-UHFFFAOYSA-N 374.488 3.511 0 40 FHAB O=C(Oc1ccccc1Cl)c1cc(-c2ccc3c(c2)OCCO3)on1 8830969 QGWWXXYTEUGPSQ-UHFFFAOYSA-N 357.749 3.985 0 40 FHAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc4c(c3)OCO4)o2)cc1 63887405 RYWBWNMIMJYTEN-UHFFFAOYSA-N 366.373 3.650 0 40 FHAB Cc1nn(C(C)(C)C)c(C)c1C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO 89505547 IAOOCXRBTAXENK-SFHVURJKSA-N 371.525 3.787 0 40 FHAB O=C(NCCCc1nnc2ccccn12)c1cc2cccc(Cl)c2s1 79481176 LCIOKVSQMOHFGF-UHFFFAOYSA-N 370.865 3.960 0 40 FHAB CCc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc3ncsc3c2)o1 547792117 PDZGVZWYVLOIJC-OAHLLOKOSA-N 362.476 3.978 0 40 FHAB Cc1ccc(N2C(=O)C[C@H](Nc3ccccc3Br)C2=O)cc1 36635352 WKMRGUQYQBVMFC-HNNXBMFYSA-N 359.223 3.502 0 40 FHAB CC[C@H](NC(=O)c1cnc2ccccn12)c1nc(C(F)(F)F)cs1 536559298 YPOSFAWIKFUTDW-VIFPVBQESA-N 354.357 3.691 0 40 FHAB Cn1cc(CN2CCOC[C@H]2c2nc(-c3ccncc3)c[nH]2)c2ccccc21 72322070 YPFXWNOQVQWGMV-NRFANRHFSA-N 373.460 3.537 0 40 FHAB biogenic,in-vitro O=C(N[C@H]1CCCc2c1cnn2Cc1ccc(Cl)cc1)c1ccncc1 72396948 LMDJWTGFZIGENZ-SFHVURJKSA-N 366.852 3.787 0 40 FHAB Cc1cccc(-c2[nH]ncc2C(=O)NC2CCN(Cc3ccccc3)CC2)c1 72329147 PPQLNZIEZJRFEQ-UHFFFAOYSA-N 374.488 3.780 0 40 FHAB O=C(CSc1nc(-c2ccccc2)no1)NC/C=C/c1ccccc1 561975517 YLRIDEPGAPCLQQ-JXMROGBWSA-N 351.431 3.658 0 40 FHAB COc1ccc(S(=O)(=O)N(C)c2ccc(F)c(Cl)c2)cc1Cl 224962126 WDJSITOJRCWDAU-UHFFFAOYSA-N 364.225 3.966 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 224227809 HQEUKJIDKBAHHF-NRFANRHFSA-N 366.505 3.871 0 40 FHAB CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1O 224620570 QFCOVOHKQZHMJY-MOPGFXCFSA-N 364.474 3.786 0 40 FHAB O=C(NCc1cccnc1-c1ccsc1)c1cc2ccccc2oc1=O 225645297 KZGNUHPHOMUZJQ-UHFFFAOYSA-N 362.410 3.847 0 40 FHAB CCCOc1ccccc1CCCNC(=O)CCc1ccc2c(c1)OCO2 222652941 WEJKCCQKIJQSPZ-UHFFFAOYSA-N 369.461 3.886 0 40 FHAB CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3n3cccc23)CC1 45795965 JFSQDZMRYAWTDP-UHFFFAOYSA-N 352.438 3.545 0 40 FHAB O=C(NCCCc1ccc(F)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 44906507 PQBZOLJDLAXSHU-LJQANCHMSA-N 372.459 3.926 0 40 FHAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)o1 223447478 JPKOXXFIVWYLJW-MSOLQXFVSA-N 350.447 3.551 0 40 FHAB CCOC(C)(C)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@H](C)C2)cc1 225647507 HIWKYCRLKSSLBN-IRXDYDNUSA-N 362.514 3.797 0 40 FHAB Cc1ccc(NC(=O)C(=O)NCc2ccccc2OC(C)C)cc1Cl 42646147 JGOCLDFOXIRXES-UHFFFAOYSA-N 360.841 3.691 0 40 FHAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCCC1=CCCCC1 222901717 VXCZGZGSNHDKGU-INIZCTEOSA-N 360.473 3.960 0 40 FHAB Cc1cccc(COC[C@H]2C[C@H]3[C@@H](C2)OCCN3Cc2ccc(C)s2)n1 96055551 XODLUZWKOYXKFN-DZFGPLHGSA-N 372.534 3.956 0 40 FHAB Fc1cccc(-c2ccc3c([C@@H]4CCCN4c4ncccn4)nnn3c2)c1 96267898 ODPQLXPINMTXLY-KRWDZBQOSA-N 360.396 3.667 0 40 FHAB CN(Cc1ccc(OCc2cccs2)cc1)c1cn[nH]c(=O)c1Cl 63992107 GGGOHINTKWVALN-UHFFFAOYSA-N 361.854 3.700 0 40 FHAB C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCCc2occc2C1 585083949 UNPVKXFZLPIRAU-AWEZNQCLSA-N 369.490 3.685 0 40 FHAB Cc1cc(C)nc(Nc2ccc([C@@H]3CN(C4CCCCC4)CCO3)nc2)n1 257230019 GAKHFGXCYGBGII-FQEVSTJZSA-N 367.497 3.938 0 40 FHAB CCC(=O)N1CCC(Cc2cccc(-c3cccs3)c2)(C(=O)NC)CC1 257274006 NJDXAAOXVMGYOQ-UHFFFAOYSA-N 370.518 3.722 0 40 FHAB Cc1nsc2ncn(Cc3nc4c(s3)C(C)(C)CC(C)(C)C4)c(=O)c12 1643883280 PWEMSDQORZEEEU-UHFFFAOYSA-N 374.535 3.916 0 40 FHAB CCOCC[C@@H]1CN(C(=O)c2cnc3ccccc3c2)Cc2cccn2C1 585095599 ZQNJOFKJULLTTF-KRWDZBQOSA-N 363.461 3.735 0 40 FHAB Cc1ncsc1CN1Cc2cccn2C[C@H](CCNc2ccccn2)C1 585095064 CKCAUVRHKAUTPM-QGZVFWFLSA-N 367.522 3.782 0 40 FHAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(Cc2ccc(Cl)cc2)C3)n1 585105166 PIQHIADHGWSJHJ-FQEVSTJZSA-N 372.896 3.994 0 40 FHAB C[C@@H]1CN(C(=O)c2nc(-c3ccccc3)n3c2COCC3)[C@@H]2CCCC[C@@H]12 1553235080 DICMFQAIXWORHD-BPQIPLTHSA-N 365.477 3.731 0 40 FHAB O=C([C@@H]1CC=CCC1)N1CCC(Oc2ncccc2Br)CC1 96096991 NRAANRSNHAWQJJ-CYBMUJFWSA-N 365.271 3.570 0 40 FHAB CCOc1ccc(C(C)=O)cc1COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 102421383 DSULNDUZEWSTDZ-KILAXVPQSA-N 372.461 3.662 0 40 FHAB O=C(c1ccccc1)[C@@H]1C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 5004552 WGAKCJYXIVEBLE-LJQANCHMSA-N 356.381 3.911 0 40 FHAB CC(C)C(=O)N1CCCc2cc(NC(=O)COc3ccccc3)ccc21 5374047 CCVZTZJDXHGGKT-UHFFFAOYSA-N 352.434 3.639 0 40 FHAB COc1cccc(C(=O)N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)c1 5880433 KEYQNVHJIODANB-UHFFFAOYSA-N 372.852 3.840 0 40 FHAB CC(C)c1cc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)on1 12220469 OAFKYUJCNPRHFC-QGZVFWFLSA-N 364.449 3.850 0 40 FHAB Cc1ccccc1OCC(=O)Nc1nc(CN2C[C@@H](C)C[C@H](C)C2)cs1 12773522 KMNONAIKDYAZPH-GJZGRUSLSA-N 373.522 3.947 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)N1CCN(Cc2ccccc2)CC1 13023472 XQVPHKYEWSZJAI-IBGZPJMESA-N 351.494 3.535 0 40 FHAB COc1cc(Br)c(/C=C2/C(=O)N(C)c3ccccc32)cc1OC 13148646 JOEBYHDEOKTTNQ-MDWZMJQESA-N 374.234 3.983 0 40 FHAB CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1ccccc1)S(C)(=O)=O 13711035 YGJVFMXGLPTYEB-IBGZPJMESA-N 374.506 3.993 0 40 FHAB CC1CCN(c2nc(-c3cccnc3)c3c(n2)-c2ccccc2C3=O)CC1 17073614 ATFQQDGYVVJMMY-UHFFFAOYSA-N 356.429 3.986 0 40 FHAB CCn1ncc(CN2CCC[C@@H](n3c(=O)oc4ccc(Cl)cc43)C2)c1C 19523946 JWMRCXRDNMZIGM-MRXNPFEDSA-N 374.872 3.610 0 40 FHAB CN(C)c1ncccc1CN1CCC(c2noc3cc(F)ccc23)CC1 19584107 PBMORISVHVGGGA-UHFFFAOYSA-N 354.429 3.808 0 40 FHAB CCO/C(=C/c1sc2ccc(C)cc2[n+]1CCCS(=O)(=O)O)CC 4480567 LDRUCOHRPZNXHM-WYMLVPIESA-O 370.516 3.563 0 40 FHAB COCCN(CCOC)C(=O)c1cc(-c2cccs2)nc2ccccc12 3368136 XGIMDWSLCWJGNW-UHFFFAOYSA-N 370.474 3.698 0 40 FHAB C[C@H](OC[C@H](O)CN(C)CCOc1ccccc1)c1ccc(Cl)cc1 4195222 OCSMUQVEZDDREZ-QFBILLFUSA-N 363.885 3.789 0 40 FHAB O=C(Nc1ccc(OCC(=O)N2CCc3ccccc32)cc1)c1ccccc1 6084571 HNKUHWRALDSHJX-UHFFFAOYSA-N 372.424 3.907 0 40 FHAB C[C@H](C(=O)OCCCCCC(=O)O)c1ccc(C[C@H]2CCCC2=O)cc1 2061000691 LYITVTONQYWYCP-MAUKXSAKSA-N 360.450 3.890 0 40 FHAB COc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2F)cc1 2723166 HVYBIPHVGAOKBV-UHFFFAOYSA-N 357.410 3.751 0 40 FHAB CCOc1ccc(NC(=O)Nc2nnc(N3CCCC[C@H]3C)s2)cc1 6791960 FOCOQKVGSUBKHU-GFCCVEGCSA-N 361.471 3.960 0 40 FHAB CO[C@@H]1CC2(CCN(C(=O)CCc3ccc[nH]3)CC2)c2cc(C)ccc21 2055738945 CVNIWXQIHNUSOT-HXUWFJFHSA-N 352.478 3.907 0 40 FHAB COc1cccc(C(=O)[C@H]2C(=O)N(c3ccccc3)N=C2c2ccccc2)c1 101348432 FYYJVSHGYOETPS-FQEVSTJZSA-N 370.408 3.945 0 40 FHAB CN(CCOc1ccc(F)cc1)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 40001068 CBESYCIDBDUODD-FQEVSTJZSA-N 373.424 3.535 0 40 FHAB C[C@H](NC(=O)N1CCc2sccc2C1)c1ccc(-n2ccnc2)cc1 40038943 FYJHGWFOMRCITA-AWEZNQCLSA-N 352.463 3.763 0 40 FHAB COc1cc(NC(=O)NCCCOC2CCCCC2)cc(OC)c1OC 40024031 IPYHCNTWJYDGOH-UHFFFAOYSA-N 366.458 3.573 0 40 FHAB CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCO[C@H]3CCCC[C@H]32)cc1 40145753 FGHCFCGMBULCTI-SJORKVTESA-N 360.454 3.817 0 40 FHAB O=C1C[C@@H](c2ccc(F)cc2)Cc2c1cnc1[nH]n(-c3ccccc3)c(=O)c21 100130378 MBTDRCJQELHSLO-AWEZNQCLSA-N 373.387 3.766 0 40 FHAB Cc1ccccc1CN1CCCN(Cc2nc(-c3ccsc3)no2)CC1 30970728 HKADLDWWLKCTKD-UHFFFAOYSA-N 368.506 3.814 0 40 FHAB Cc1ccc(CN2CCCN(C(=O)NCc3ccc(F)cc3)CC2)cc1 31029613 REWKZCAHKRGJIS-UHFFFAOYSA-N 355.457 3.552 0 40 FHAB Cc1cccc(-c2n[nH]c(SCC(=O)Nc3ccc(F)cc3C)n2)c1 32579571 KBIBCSUDWIWWOI-UHFFFAOYSA-N 356.426 3.958 0 40 FHAB Fc1ccc([C@H]2C=C(c3cccnc3)Nc3nc(C(F)(F)F)nn32)cc1 102518530 JCGBDCYXGYKSDC-CQSZACIVSA-N 361.302 3.887 0 40 FHAB CC(=O)Nc1ccc(NC(=O)[C@H]2Cc3ccccc3O2)c(C(F)(F)F)c1 21901156 RXOPVTKZWVKDAK-MRXNPFEDSA-N 364.323 3.606 0 40 FHAB Cc1nnc(S[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)s1 869137 WYHHQMPXMOUSRR-SNVBAGLBSA-N 374.274 3.578 0 40 FHAB O=C(NC1CCCCC1)c1sc(N2CCOCC2)nc1-c1ccccc1 1020518 KIOGFGVOUARZAE-UHFFFAOYSA-N 371.506 3.709 0 40 FHAB C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1cc[n+]([O-])cc1)C1CC1 78262107 BADZBVDVQHLPNH-LBPRGKRZSA-N 350.340 3.705 0 40 FHAB O=C(O)c1c2c(cc3c1C[C@@]1(Cc4cc5c(cc4C1=O)CCC5)C3)CCC2 1645361 JVBHPJDVMMRBFN-XMMPIXPASA-N 358.437 3.886 0 40 FHAB OC1=Nc2[nH]ncc2[C@H](c2ccccc2OCc2ccccn2)SC1 79482683 KFPPZXUVBMTZEU-KRWDZBQOSA-N 352.419 3.808 0 40 FHAB COc1ccc(C)cc1NC(=O)COC(=O)c1oc2ccccc2c1C 3537282 SCENEIGJBXHWCL-UHFFFAOYSA-N 353.374 3.854 0 40 FHAB COc1ccccc1-c1csc(NC(=O)[C@@H]2COc3ccccc3O2)n1 6175019 KAKLKIMJVZWCIV-KRWDZBQOSA-N 368.414 3.597 0 40 FHAB CN(C)c1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 7379582 QTCFNNFDQNREHY-UHFFFAOYSA-N 367.232 3.855 0 40 FHAB Cc1noc(C)c1CCC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 55742038 BMHBVAIOOASIDV-UHFFFAOYSA-N 369.465 3.879 0 40 FHAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccc(C(F)(F)F)cc1 10369231 WZGJDZUMPMNKFG-UHFFFAOYSA-N 372.368 3.638 0 40 FHAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(F)cc1)O[C@H](C)C2 12564040 SYHMSXRPNDUBIF-CHWSQXEVSA-N 358.413 3.987 0 40 FHAB Cc1nc(C(=O)N[C@@H](c2cccs2)C(C)C)nn1-c1ccc(F)cc1 10854193 PVUGHERGRSLDDG-MRXNPFEDSA-N 358.442 3.903 0 40 FHAB S=C(NCc1ccc2c(c1)OCO2)c1ccc(Br)cc1 9188137 SZGMHXVKBLUWMV-UHFFFAOYSA-N 350.237 3.643 0 40 FHAB O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)NCc1ccc(F)cc1 57476782 IESNTSJEYNNXJX-GOSISDBHSA-N 362.404 3.662 0 40 FHAB Cc1ccccc1OCC(=O)NCCc1csc(-c2ccccc2)n1 27992611 XUZSRHVZFMUELK-UHFFFAOYSA-N 352.459 3.856 0 40 FHAB COc1ccc(-c2nnc(CSc3nnc(C(C)C)o3)o2)cc1OC 20034577 GLXXNYVUJBOKHH-UHFFFAOYSA-N 362.411 3.553 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1 12632763 CPWGNIBIRKXDAD-UHFFFAOYSA-N 370.409 3.885 0 40 FHAB CCOC(=O)[C@H]1CCCN(c2ncnc3sc4c(c23)CC[C@H](C)C4)C1 12621646 WZEIXFQTJKDHNP-STQMWFEESA-N 359.495 3.596 0 40 FHAB Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccc(OC(F)F)cc3)c12 12773839 CMUOSMFOMRKEDN-UHFFFAOYSA-N 373.359 3.940 0 40 FHAB CCc1ccc(-c2csc(NC(=O)CNC(=O)c3ccccc3)n2)cc1 12794962 NVNISGNXUUESGV-UHFFFAOYSA-N 365.458 3.741 0 40 FHAB COc1cccc(CN(C)Cc2nc(N)c3c(C)c(C)sc3n2)c1OC 12771727 HESAJELBDYHEOW-UHFFFAOYSA-N 372.494 3.540 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)c2sc(-c3ccccn3)nc2C)c1 12897633 CETQSRKVUIUBAC-UHFFFAOYSA-N 367.430 3.861 0 40 FHAB CCOC(=O)C1=C(C)N(C)C(=S)N(C)[C@H]1c1ccccc1C(F)(F)F 3418599 SMCVRNDUTBKXCG-AWEZNQCLSA-N 372.412 3.746 0 40 FHAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Cl)cc2)CC1=O 3549213 BNNNDOVDHVHEIM-ZDUSSCGKSA-N 358.825 3.730 0 40 FHAB CNC(=O)c1ccc(CN(C)C(=O)c2csc(-c3cccs3)n2)cc1 12920596 ORXMQSZXDJLFGW-UHFFFAOYSA-N 371.487 3.503 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)Cc1ccccc1Cl)c1cccc(F)c1 9154129 RYXJVWVWEZRTOI-SFHVURJKSA-N 357.816 3.661 0 40 FHAB Cc1ccc2nc(NC(=O)[C@H](C)NC(=O)/C=C/c3ccccc3)sc2c1 13005743 ZQJWJBNXKQTOMD-MARXPDLDSA-N 365.458 3.761 0 40 FHAB CCN(CC)CCCC1CCN(C(=O)C(F)(F)c2ccccn2)CC1 96008208 AEDCANUAPIXPJE-UHFFFAOYSA-N 353.457 3.534 0 40 FHAB Cc1cnc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)s1 19624323 BBEUCYJTSJXSJY-UHFFFAOYSA-N 361.511 3.503 0 40 FHAB O=C(C[C@H](NCc1cccnc1)C(=O)O)c1ccc(C2CCCCC2)cc1 4054230 PTCZOBHPQRQMKL-FQEVSTJZSA-N 366.461 3.945 0 40 FHAB Cc1cc(C(=O)N[C@H](C)[C@@H]2CCCO2)cc(C)c1OCc1cccnc1 49674641 LACWJCRNMFKLHN-APWZRJJASA-N 354.450 3.575 0 40 FHAB Fc1ccc(F)c(-c2nnc3sc([C@H]4COc5ccccc5O4)nn23)c1 13692827 XLJCJJUMPVCHIT-CQSZACIVSA-N 372.356 3.644 0 40 FHAB Cn1c(SCc2ccccc2Br)nnc1-c1ccncc1 6139432 GRPMAEIHZXOGMJ-UHFFFAOYSA-N 361.268 3.932 0 40 FHAB CCn1c(SCC(=O)Nc2cccc(O)c2)nnc1-c1cccc(F)c1 13956214 VGKCBPGDFYKALM-UHFFFAOYSA-N 372.425 3.541 0 40 FHAB CC(C)[C@@H](C)NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 5359371 KQPJKMLGSQMYOV-LLVKDONJSA-N 350.513 3.594 0 40 FHAB Cc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)cc1 6587234 YYXLFVNNBPJLRK-UHFFFAOYSA-N 360.413 3.827 0 40 FHAB CC(C)(C)c1ccc(-c2nc3s/c(=C\c4cccs4)c(=O)n3n2)cc1 6762011 PASPVXGRRUVRBT-PTNGSMBKSA-N 367.499 3.725 0 40 FHAB O=C(Nc1ccc(F)cc1Cl)[C@H]1CC(=O)N(CCc2ccccc2)C1 15009804 YTEXPNMXJASKCJ-AWEZNQCLSA-N 360.816 3.509 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2Cl)cc1 6929925 ZRVUBEUNHLTYFJ-UHFFFAOYSA-N 352.843 3.716 0 40 FHAB CCOc1ccccc1OCc1nn2c(-c3cccs3)nnc2s1 4939230 OYKCJKCXZVKYAB-UHFFFAOYSA-N 358.448 3.892 0 40 FHAB Cc1ccc(Oc2ccccc2NC(=O)CSc2nncn2C)cc1 9514327 YZBVBDYAOPUFEU-UHFFFAOYSA-N 354.435 3.647 0 40 FHAB C[C@@H](CCc1ccccc1)NS(=O)(=O)c1cccc(Br)c1 7375073 RNVJWQHMSGDVFI-ZDUSSCGKSA-N 368.296 3.749 0 40 FHAB CCCN1C=NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)cc3C)ccc21 15867500 ZJVSRNCVWYQMND-UHFFFAOYSA-N 371.462 3.503 0 40 FHAB COCc1c(C(=O)OCc2ccc(C(N)=O)cc2)sc2cccc(F)c12 16131614 HUNNIBPCZICHTO-UHFFFAOYSA-N 373.405 3.643 0 40 FHAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)C3CCC3)ccc2C)cc1 8195483 YCODZIYTIOMRMQ-UHFFFAOYSA-N 374.462 3.543 0 40 FHAB COc1ccc(CNC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1 8272409 RSGTZEKVHLSTJJ-UHFFFAOYSA-N 356.422 3.817 0 40 FHAB O=C([C@H]1CC(c2ccc(Cl)s2)=NO1)N1CC2C[C@H]3CC1C[C@@H](C2)C3 84445208 UWYHCUBMTZUHOD-BRUFSJIZSA-N 364.898 3.932 0 40 FHAB Cc1ccc2nc3c(c(C(=O)O[C@H](C)C(=O)NC(C)(C)C)c2c1)CCCC3 16903925 ZQLUHZBBBGKTPU-CQSZACIVSA-N 368.477 3.882 0 40 FHAB Cc1cccc2nc(C(=O)Nc3c(F)cc(F)cc3Br)cn12 8424619 BURWDRSGRBYCIH-UHFFFAOYSA-N 366.165 3.936 0 40 FHAB O=C(/C=C/c1cccs1)Nc1ccc2nc(N3CCOCC3)sc2c1 8428953 GGGOXHGKAUTAAW-GQCTYLIASA-N 371.487 3.846 0 40 FHAB Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccccc1Sc1nccn1C 95393860 NYVHTVIXMOYXJU-LBPRGKRZSA-N 369.494 3.664 0 40 FHAB C/C(=C\C(=O)OCC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)C1CC1 98055187 MARJXICZHKIFJO-SDNWHVSQSA-N 367.449 3.636 0 40 FHAB COCCOCC(=O)Nc1ccc(Oc2ccnc3ccccc23)cc1 95959114 VAPZEXQEZDLDMO-UHFFFAOYSA-N 352.390 3.629 0 40 FHAB Cc1oc(-c2ccsc2)nc1CC(=O)N1CC[C@@H](OCCC(C)C)C1 75107283 OMXIMCWYWFCKSW-MRXNPFEDSA-N 362.495 3.918 0 40 FHAB COc1ccc(F)cc1C(=O)N1CCC(c2ccnc(C(C)C)n2)CC1 89893776 DJNPSZOOFNCLRJ-UHFFFAOYSA-N 357.429 3.768 0 40 FHAB O=C1N=C2C=CC(Br)=CN2[C@@](c2ccccc2)(C(F)(F)F)N1 28294328 BEFOKXPMIBTDCA-ZDUSSCGKSA-N 372.144 3.632 0 40 FHAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N2CCCCCC2)cc1 5009981 OXWUPTPENDSUGU-CYVLTUHYSA-N 352.434 3.762 0 40 FHAB Cc1cc2nc3s/c(=C\c4c(O)ccc5ccccc45)c(=O)n3c2cc1C 408720832 FBNAPLQEDZSHAK-JAIQZWGSSA-N 372.449 3.933 0 40 FHAB Cc1cccc(NC(=O)COC(=O)c2ccc(-c3ccc(C=O)o3)cc2)c1 409176962 CMEMPLXCBUYOCT-UHFFFAOYSA-N 363.369 3.863 0 40 FHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1CCN(c2ccccc2F)CC1 38773235 ZVIDCDUZSYLBHO-NRFANRHFSA-N 370.468 3.949 0 40 FHAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cccc(N(C)C)c1 32912098 VHZXUUANEHMJSC-UHFFFAOYSA-N 362.477 3.609 0 40 FHAB CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 78234685 PRVNBOHPUMJZPU-UHFFFAOYSA-N 354.431 3.623 0 40 FHAB COc1ccc(-c2csc(CCNC(=O)c3cccc(F)c3)n2)cc1 31848785 RXGWLEFZOWEBIM-UHFFFAOYSA-N 356.422 3.930 0 40 FHAB CCOc1ccc(NC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1 70640304 LERKAKSIMQALGF-MRXNPFEDSA-N 368.355 3.959 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)NCCCc1ccc(OC(C)C)cc1 219498248 DOVAVYHNPBEJTI-KRWDZBQOSA-N 371.477 3.999 0 40 FHAB Cc1ccc(NC(=O)CSc2nccn2-c2ccc(C)cc2C)nc1 30871333 BBCSTPFTHJOUMX-UHFFFAOYSA-N 352.463 3.923 0 40 FHAB O=C(Nc1cccc(Br)c1)c1ccc(Cn2ccnc2)cc1 38833966 SPIWMDCPLZUACD-UHFFFAOYSA-N 356.223 3.946 0 40 FHAB COc1cccc(-c2cncc([C@H]3CCCN(C4CCOCC4)C3)n2)c1 72359749 NYDOGADTXGZKQP-KRWDZBQOSA-N 353.466 3.511 0 40 FHAB Cc1nnc(Nc2cncc([C@@H]3CCCN3Cc3ccc(F)cc3)n2)s1 72376217 ZNZWANAJQJLRTA-INIZCTEOSA-N 370.457 3.856 0 40 FHAB COc1cccc(-c2cncc(C3CCN(C(=O)c4ccncc4)CC3)n2)c1 72359508 LOICNYJYWVOLFX-UHFFFAOYSA-N 374.444 3.567 0 40 FHAB Cc1cccc(-c2cncc([C@H]3CCCN(C(=O)Cc4cccnc4)C3)n2)c1 72359573 SKNFZSFGWMSXBQ-FQEVSTJZSA-N 372.472 3.796 0 40 FHAB CCCc1ccc(OCCNC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 223380021 LPMOMOFLZGOTJV-UKTHLTGXSA-N 369.461 3.865 0 40 FHAB COc1ccc(NC(=O)C2(C)COC(c3ccco3)OC2)cc1Cl 225917389 JVWGSYQHELXVFC-UHFFFAOYSA-N 351.786 3.632 0 40 FHAB CCO[C@@](C)(C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1)C1CC1 225835715 WUQXLPDUEZKYRF-HXUWFJFHSA-N 363.454 3.652 0 40 FHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1 223086049 URQSPJYPYKHYAM-IAGOWNOFSA-N 370.468 3.700 0 40 FHAB Cc1ccc(CNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1 225224078 NSQDNGNFZIBEBA-ZHZULCJRSA-N 360.413 3.675 0 40 FHAB Cc1cc(N2C[C@H](C)C[C@@H](C)C2)nc(NC(=S)NCc2ccc(C)o2)n1 225916118 JCSRMRFXEJEIPQ-CHWSQXEVSA-N 373.526 3.655 0 40 FHAB CN1CCN(c2ccc(N)cc2NC(=O)c2ccc(C(C)(C)C)cc2)CC1 226258572 YABNAIOETFZHRS-UHFFFAOYSA-N 366.509 3.570 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C 223674570 OVDDMCJSPHYJLE-IBGZPJMESA-N 366.505 3.708 0 40 FHAB CSc1nnc(NC(=O)CSCc2ccc(Cl)cc2F)s1 223104535 HXCPESUNQRMKNR-UHFFFAOYSA-N 363.892 3.924 0 40 FHAB COc1ccc2cc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)ccc2c1 41091973 QDGGXEQYFQYGQM-AWEZNQCLSA-N 353.443 3.988 0 40 FHAB CCOc1ccc(NC(=O)c2nnn(Cc3ccccc3)c2Cl)cc1 96183308 QJFXQMHOWBBKNT-UHFFFAOYSA-N 356.813 3.631 0 40 FHAB CCOC(=O)C1(C(=O)OCC)CCC(NCc2ccc(Cl)s2)CC1 1256991604 ZIIYMTIQPYTITJ-UHFFFAOYSA-N 373.902 3.546 0 40 FHAB CC(C)C(=O)N1CCC[C@@H]2CN(C(=O)c3cccc4c3CCCC4)CC[C@H]21 1775990815 HONODSWXACYYQJ-WIYYLYMNSA-N 368.521 3.675 0 40 FHAB O=C(NC[C@H]1OCCc2ccccc21)c1occc1COc1ccccc1 603134657 OZKNWIJAQFXAKL-HXUWFJFHSA-N 363.413 3.902 0 40 FHAB O=C1[C@H]2[C@@H](c3ccccc3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccccc1 102693347 QNIQCNVCVMLXAZ-PWRODBHTSA-N 370.408 3.738 0 40 FHAB biogenic Cc1nnc([C@H]2Cc3ccccc3CN2Cc2ncc(C(C)(C)C)o2)o1 65537514 CIJWLIGDAGMLKJ-MRXNPFEDSA-N 352.438 3.963 0 40 FHAB CCOC(=O)[C@H]1CCCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C1 56067939 DSEHBUBONYCZID-JTQLQIEISA-N 369.248 3.890 0 40 FHAB Cn1ccc2c(NC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cccc21 60372125 WAQOFVURNAYKQC-UHFFFAOYSA-N 357.454 3.764 0 40 FHAB O=C1N[C@@](c2ccccc2)(C(F)(F)F)C(=O)N1C/C=C/c1ccccc1 60361690 KVFNDMUZEFOZMG-RUJXFNLJSA-N 360.335 3.709 0 40 FHAB O=C(Nc1cc(C2CCOCC2)[nH]n1)c1c(O)cc(Cl)cc1Cl 80031977 IXQRUXABQYBSML-UHFFFAOYSA-N 356.209 3.568 0 40 FHAB COc1ccc(CC(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1F 11182175 WDSLJJLSYANVBD-UHFFFAOYSA-N 368.364 3.861 0 40 FHAB CCOc1ccc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1 12803630 MIOOPMQGIVWRJE-UHFFFAOYSA-N 367.449 3.512 0 40 FHAB C[C@H](NC(=O)c1ccccc1Br)c1nc(-c2ccccc2)no1 13495450 FQOFNULEMWVPOG-NSHDSACASA-N 372.222 3.990 0 40 FHAB CC(C)CCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccco1)C3 13634263 QRYJAAOTPDELQG-GFCCVEGCSA-N 356.451 3.768 0 40 FHAB Cc1ccsc1CN(CCCN1CCOCC1)Cc1cccc(F)c1 19238580 VAQCFSNRADPWMA-UHFFFAOYSA-N 362.514 3.920 0 40 FHAB COc1cccc(CN2CCC[C@H](c3nnc(-c4scnc4C)o3)C2)c1 19562804 BJPZIVURNQPEEZ-HNNXBMFYSA-N 370.478 3.890 0 40 FHAB O=C(C1CCC1)N1CCC([C@H]2CC=CCN(Cc3ccccc3)C2=O)CC1 19696035 SRRYPCBJSNOGIB-OAQYLSRUSA-N 366.505 3.630 0 40 FHAB C[C@]12C[C@@H](c3ccccc3)N(Cc3cscn3)[C@H]1CCCCC(=O)N2 643912830 KVZKDHRYDSBLLD-BJLQDIEVSA-N 355.507 3.908 0 40 FHAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 24905844 DZPCPAQRAVTHRG-HNNXBMFYSA-N 357.841 3.534 0 40 FHAB CCN(C(=O)OC(C)(C)C)[C@@H]1CCO[C@@H](c2ccnc(-c3cn[nH]c3)c2)C1 2037845993 JRZNFBAJOOMTEM-SJLPKXTDSA-N 372.469 3.949 0 40 FHAB O=C(/C=C/c1cccs1)N1CCc2c(COCC3CC3)cncc2C1 1565547768 XFZDCJBPDWUQFE-AATRIKPKSA-N 354.475 3.668 0 40 FHAB CCc1ccc(NC(=O)CSc2ccc(-c3ccncc3)nn2)cc1 4391904 YDEDIORYFBVIBX-UHFFFAOYSA-N 350.447 3.832 0 40 FHAB COc1ccc(Cl)cc1NC(=O)c1cccn(Cc2ccccc2)c1=O 4940309 AAENTBUTESGFEW-UHFFFAOYSA-N 368.820 3.811 0 40 FHAB CN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(F)c(F)c3)ccc21 10971982 AQAISVQMSYXEIT-UHFFFAOYSA-N 360.360 3.599 0 40 FHAB O=C(c1ccc(Cl)cc1)N1CC[C@H](Oc2cnc3ccccc3n2)C1 618255390 OPWPUTHLODADRD-HNNXBMFYSA-N 353.809 3.577 0 40 FHAB CCc1nc2ccc(C(=O)N[C@H]3CCN(Cc4ccsc4)C3)cc2s1 618257440 WHWSZAFRNJAIGP-HNNXBMFYSA-N 371.531 3.925 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)NCc1ccc([C@@H](O)c2ccsc2)s1 207964896 QBPUUYJMXZXWRI-UGSOOPFHSA-N 373.499 3.975 0 40 FHAB CNC(=S)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccc(OC)c(OC)c1 1298847 AWAPFLPOPIRUCO-QGZVFWFLSA-N 369.490 3.668 0 40 FHAB O=C(NC[C@]1(O)CCc2ccccc21)Nc1cccc(C(F)(F)F)c1 75155796 IFCOKSFCKQKUPI-QGZVFWFLSA-N 350.340 3.661 0 40 FHAB COc1ccc(NC(=O)c2cc(C)n(-c3nccs3)c2C)cc1OC 30585794 LUGKGPXPIXYUOU-UHFFFAOYSA-N 357.435 3.820 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)Nc1cc2c(cc1Br)OCCO2 40023804 YRAXTGJJMJJPSH-CMPLNLGQSA-N 369.259 3.921 0 40 FHAB C[C@@H](c1cc2ccccc2o1)N(C)CCC(=O)NC(=O)NC1CCCC1 40057186 HLPLLRMPRMJTSC-AWEZNQCLSA-N 357.454 3.584 0 40 FHAB COc1ccc(CCN2COc3ccc4c(C)cc(=O)oc4c3C2)cc1 20403864 IRPPNWROBZTZOI-UHFFFAOYSA-N 351.402 3.505 0 40 FHAB biogenic O=C(NCC1(c2ccccc2)CC1)c1ccc(OC[C@H]2CCCO2)cc1 21523594 VIDCZRUODACXRK-HXUWFJFHSA-N 351.446 3.706 0 40 FHAB Cn1ccnc1[C@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccc(Cl)cc1 21600937 QSUMDFGICLKQHG-DOMZBBRYSA-N 372.683 3.863 0 40 FHAB CC(C)NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 660119 GZMYKWKRCLBFKE-NRFANRHFSA-N 368.502 3.642 0 40 FHAB O=C(c1ccccc1Cl)N1N=C(C(F)(F)F)C[C@@]1(O)c1ccccc1 827439 DVBGAWLJXIVLAB-MRXNPFEDSA-N 368.742 3.950 0 40 FHAB CCN(C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)c1ccc(F)cc1 23323611 JHRYIGZMWHCTCP-UHFFFAOYSA-N 355.818 3.549 0 40 FHAB CC(=O)Nc1nnc(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)s1 679287 JNXLYHSNKAXZND-LLVKDONJSA-N 364.496 3.541 0 40 FHAB Cc1ccc([C@H]2SC[C@@H](C(=O)O)N2C(=O)c2cccc(Cl)c2)cc1 974401 KEHAOGCUVNGZOK-DOTOQJQBSA-N 361.850 3.989 0 40 FHAB COc1cc2c(cc1OC)[C@@H]1CCc3cc(OC)c(OC)cc3[C@@H]1N=C2 1659846 CUKMWZUBYZDJNQ-LHSJRXKWSA-N 353.418 3.925 0 40 FHAB O=C(COc1ccc(Cl)cc1C(=O)O)NCc1cccc2ccccc12 1750244 LNFBIWFTBFJEOE-UHFFFAOYSA-N 369.804 3.887 0 40 FHAB CCOc1ccc(-c2nc(N)nc(C)c2Oc2ccccc2OC)c(O)c1 2398922 LFKQONKAOVUERS-UHFFFAOYSA-N 367.405 3.939 0 40 FHAB O=C1NC(=O)/C(=C\c2ccc(OC(=O)c3ccccc3Cl)cc2)S1 3032583 FYKKHVHOXSGRIR-NTEUORMPSA-N 359.790 3.883 0 40 FHAB O=C(COC(=O)c1cccc(C(F)(F)F)c1)Nc1cc(F)ccc1F 3386024 GIGATZVTOUKYSE-UHFFFAOYSA-N 359.250 3.779 0 40 FHAB O=C(CSc1ncnc2sc3c(c12)CCC3)N1CCc2ccccc21 3485982 HFBMOWUKNKKLFJ-UHFFFAOYSA-N 367.499 3.861 0 40 FHAB CCN(CC)C(=O)CS[C@@H]1c2ccccc2C(=O)N1c1ccccc1 4108983 KRXIZDBXQMZAJT-HXUWFJFHSA-N 354.475 3.947 0 40 FHAB CCCCCCC1O[C@H](C(=O)OCCCC)[C@@H](C(=O)OCCCC)O1 4726157 YKLWNOFSYWLFML-IRXDYDNUSA-N 358.475 3.754 0 40 FHAB CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 4746574 VFHBMPWHAVCCHS-NTUHNPAUSA-N 353.827 3.576 0 40 FHAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(Br)cc2)[C@@H]1C 5061550 YGNAUPAAUPPCGE-LALPHHSUSA-N 368.271 3.547 0 40 FHAB Cc1cc(OCC(=O)Nc2ccccc2F)c2c3c(c(=O)oc2c1)CCC3 5072311 RYGABDAQAZEEBI-UHFFFAOYSA-N 367.376 3.747 0 40 FHAB COc1ccc(F)cc1C(=O)COC(=O)c1ccc(-n2cccc2)cc1 5261137 LUPLOTBLJDAUMF-UHFFFAOYSA-N 353.349 3.665 0 40 FHAB COc1ccc(CC(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)cc1 5441728 PRVOMIKHCCXANT-UHFFFAOYSA-N 352.434 3.702 0 40 FHAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc2c(c1)OCCO2 5578558 LFJJJSZHVLNRCB-UHFFFAOYSA-N 369.808 3.858 0 40 FHAB CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc(Cl)cc2)NC(=O)N1 6378331 BQUFIAZVBNCJSX-INIZCTEOSA-N 359.788 3.746 0 40 FHAB COc1ccc(CCNC(=O)c2cc(Cl)cc(Cl)c2)cc1OC 6847274 ADGXOQCPHIGLCE-UHFFFAOYSA-N 354.233 3.983 0 40 FHAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCCC[C@@H]1C 6947977 CJOLXNKGGMROLU-INIZCTEOSA-N 372.538 3.772 0 40 FHAB CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc2c(c1)CCC2 7246753 WZCVCMFMCAIQHQ-UHFFFAOYSA-N 353.846 3.789 0 40 FHAB O=C(OCc1cc(-c2cccs2)on1)c1cc2ccccc2oc1=O 7552970 BVZGVFJELHNHFK-UHFFFAOYSA-N 353.355 3.867 0 40 FHAB COc1ccc2oc(C(=O)Nc3ccccc3C(=O)NC3CC3)c(C)c2c1 7596924 WKZILFYPINWEMW-UHFFFAOYSA-N 364.401 3.894 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(NC3CC3)s2)c1C 7826322 BEUIZPPRZOUJEO-JTQLQIEISA-N 364.496 3.623 0 40 FHAB Cc1cccc(OCCNC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 8156130 JXOYRICZQPCLBC-UHFFFAOYSA-N 361.445 3.867 0 40 FHAB COc1ccc(CSC2=N[C@@H]3CCCC[C@@H]3N2)cc1Br 8328789 QSZVDWTXWCZWCZ-BETUJISGSA-N 355.301 3.961 0 40 FHAB Cc1ccc2cc(COC(=O)c3ccccc3Br)c(=O)[nH]c2c1 9304288 QICMXOIAHJPQRJ-UHFFFAOYSA-N 372.218 3.956 0 40 FHAB O=C(CSc1nnc2ccccn12)N(Cc1ccco1)C1=CCCCC1 9754621 PFQSEXPSPJQZSH-UHFFFAOYSA-N 368.462 3.901 0 40 FHAB CNC(=O)C1CCN(C(=O)N[C@@H](c2ccc(CC(C)C)cc2)C(C)C)CC1 9796334 UHUFFPASKAQEJU-HXUWFJFHSA-N 373.541 3.750 0 40 FHAB S=C(NCCc1ccccc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10184217 OCOJEHZYKTTWKD-QGZVFWFLSA-N 364.518 3.860 0 40 FHAB CN1C(=O)C(C)(C)COc2cc(NC(=O)CCc3ccccc3)ccc21 10971919 SEDCMEXUNXNCAX-UHFFFAOYSA-N 352.434 3.639 0 40 FHAB COc1ccc2cc(CNC(=O)c3cc(C)nc4onc(C)c34)ccc2c1 11127403 KBNQROPVYNZMRH-UHFFFAOYSA-N 361.401 3.931 0 40 FHAB O=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccc2[nH]cnc2c1 11483197 UOVFBYNDBWEACG-UHFFFAOYSA-N 363.339 3.572 0 40 FHAB COc1ccc(-c2cnc(NC(=O)c3csc(C(C)=O)c3)n2C)cc1 12116893 WLBDHGVLCKLNKR-UHFFFAOYSA-N 355.419 3.612 0 40 FHAB COc1ccc(-c2cnc(NC(=O)c3ccc4nc(C)[nH]c4c3)n2C)cc1 12147334 DYZVLAYXOXCHMX-UHFFFAOYSA-N 361.405 3.533 0 40 FHAB Cn1cc(CN2CCC(O)(c3ccc(F)cc3)CC2)c2cc(F)ccc21 12363584 ZCYBBUQNBNMVBN-UHFFFAOYSA-N 356.416 3.940 0 40 FHAB O=C(COc1ccc(F)cc1Cl)N[C@@H](Cc1ncc[nH]1)c1ccccc1 12539994 HUJDOMCTJHLYSC-INIZCTEOSA-N 373.815 3.681 0 40 FHAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(OC(F)F)cc1 12755309 ONPJEYFSISBJOW-GOSISDBHSA-N 360.404 3.855 0 40 FHAB CCCc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1 12822184 RYIXCVJEQIVQBW-UHFFFAOYSA-N 372.490 3.604 0 40 FHAB CC(C)Cc1nc(CSc2nnc3c(Cl)cc(Cl)cn23)no1 12981577 ICUHMAOYVASNPQ-UHFFFAOYSA-N 358.254 3.910 0 40 FHAB COc1ccc(NC(=O)CCCNC(=O)c2ccsc2)cc1Cl 12997647 OOJNALLKSYYUOU-UHFFFAOYSA-N 352.843 3.559 0 40 FHAB COc1cc(OC)cc(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)c1 13000551 JEHBDHWBUUFLOG-NSHDSACASA-N 351.349 3.796 0 40 FHAB S=C(Nc1ccccc1)N1CCN([C@H]2CCc3ccccc3C2)CC1 13577106 LCOUYPXNEIZLIA-FQEVSTJZSA-N 351.519 3.559 0 40 FHAB O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(C(=O)c2cccs2)CC1 14120983 JCHBEHAIXPNLIX-UHFFFAOYSA-N 372.534 3.685 0 40 FHAB CC[C@@H](Sc1nnc(-c2ccc(C)cc2)o1)C(=O)Nc1cc(C)on1 14139092 FDWGWOAITPHSCW-CYBMUJFWSA-N 358.423 3.851 0 40 FHAB Cc1c(NC(=O)CCc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 14701857 UTRQKXURBHJAOQ-UHFFFAOYSA-N 369.852 3.709 0 40 FHAB CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc2ncsc2c1 15822391 JMJIWCBXKUGIIT-GFCCVEGCSA-N 368.414 3.683 0 40 FHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(OC)c(OC)c2)c1 15827554 MRGXUBBEQSDRLW-KRWDZBQOSA-N 371.433 3.698 0 40 FHAB CC(C)n1nccc1NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 16474803 NPNLEOZQMCXHFE-KRWDZBQOSA-N 354.498 3.746 0 40 FHAB CC(C)(CC(=O)O)CC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 16478363 RWUAYCBLGNFVSK-UHFFFAOYSA-N 370.453 3.501 0 40 FHAB FC(F)(F)c1cccc(-c2[nH]ncc2-c2nnnn2-c2ccccc2)c1 16523889 TUTIMSOIADPHJN-UHFFFAOYSA-N 356.311 3.738 0 40 FHAB COc1cc(NC(=S)NCCc2ccc(O)cc2)c(OC)cc1Cl 17075371 QYTHJDLVZCWDDE-UHFFFAOYSA-N 366.870 3.592 0 40 FHAB C[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 17743844 CTUMZPVNCUCTOW-LLVKDONJSA-N 352.843 3.626 0 40 FHAB COc1cccc(C(=O)COC(=O)Cc2csc(-c3ccsc3)n2)c1 19173268 VOMNWAAKTKYGRW-UHFFFAOYSA-N 373.455 3.849 0 40 FHAB CC[C@H](Oc1ccccc1C)C(=O)NCCc1ccc(OC)c(OC)c1 20040518 HQWLJSIKRGIIPE-KRWDZBQOSA-N 357.450 3.529 0 40 FHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 20043742 GHYZVIPSJIKEHT-KSSFIOAISA-N 373.449 3.747 0 40 FHAB CCCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(OC)cc1)C3 20671664 CVRONOILALLKEO-ZDUSSCGKSA-N 368.462 3.548 0 40 FHAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)O)[C@@H]1c1cccc(Cl)c1Cl 22057516 KCIBIAFYYVAYEO-AWEZNQCLSA-N 370.232 3.876 0 40 FHAB in-vitro C[C@H]1CCc2c(sc3nc(SCC(=O)c4ccc[nH]4)nc(N)c23)C1 23590891 VAFCAYLMBJQMEK-VIFPVBQESA-N 358.492 3.701 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)NCc2ccccc2CN2CCCC2)cc1 24189390 KSSVDTLGGBDDGA-GOSISDBHSA-N 352.478 3.675 0 40 FHAB COc1ccc([C@H](CNC(=O)c2cccc(OC)c2)N2CCCCC2)cc1 27667712 JIFVJIKFDTWTJY-NRFANRHFSA-N 368.477 3.661 0 40 FHAB biogenic CC[C@@H]1[N+]2=C(CCC2)N(c2ccc(OC)cc2)[C@]1(O)c1ccc(Cl)cc1 28629568 UGZKPJFRUKYGMV-FPOVZHCZSA-N 371.888 3.997 0 40 FHAB CN(C)C(=O)c1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)c1 30038537 RANLENJQUJJQRU-UHFFFAOYSA-N 369.808 3.949 0 40 FHAB O=C(NCCCn1cccn1)c1cc(-c2cccs2)nc2ccccc12 30170678 VLQAWFLSWQNBTO-UHFFFAOYSA-N 362.458 3.980 0 40 FHAB O=C(Cn1ncc2ccccc2c1=O)N[C@H](c1cccs1)C1CCCC1 31803512 UCOIHZZRJSDCJQ-IBGZPJMESA-N 367.474 3.506 0 40 FHAB COc1ccc(-c2noc(-c3sc(NC(=O)C(C)C)nc3C)n2)cc1 32104608 KPXNRJQXJCITEJ-UHFFFAOYSA-N 358.423 3.772 0 40 FHAB CC1CCN(Cc2csc(NC(=O)C3=Cc4ccccc4OC3)n2)CC1 32744608 YDMQDZISBOPRTP-UHFFFAOYSA-N 369.490 3.790 0 40 FHAB Cc1ccc(OCCC(=O)NCC(=O)Nc2cccc(Cl)c2C)cc1C 32765717 LHCVWHNBSCXNKL-UHFFFAOYSA-N 374.868 3.789 0 40 FHAB CC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)s1 32776816 NGXPJNUTTBISOU-XJKSGUPXSA-N 371.458 3.690 0 40 FHAB COc1ccccc1NC(=O)CCSc1nccc(C(F)(F)F)n1 32903560 BSAJDSBAALGZBX-UHFFFAOYSA-N 357.357 3.625 0 40 FHAB Cc1ccc2c(NC(=O)[C@@H](c3ccccc3)N3CCC(C)CC3)n[nH]c2n1 35322725 OEDPGAHSXLJQJI-GOSISDBHSA-N 363.465 3.678 0 40 FHAB Cc1cc(-c2nn3c(-c4cc(Cl)ccc4Cl)nnc3s2)n[nH]1 36359999 DAEKAOOWUVWZJF-UHFFFAOYSA-N 351.222 3.858 0 40 FHAB CCOCc1ccccc1CNC(=O)NCc1ccc(OC(F)F)cc1 36393398 GPRAZLGOAZTVOA-UHFFFAOYSA-N 364.392 3.824 0 40 FHAB COc1cc(CNC(=O)CCC2CCCC2)ccc1OC[C@@H]1CCCO1 36395976 TWTDIVSXVHIJHI-SFHVURJKSA-N 361.482 3.840 0 40 FHAB Cc1ccc([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 38752614 AQQHGAHKCQRCJO-LBPRGKRZSA-N 366.870 3.511 0 40 FHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(OC)c(OC)c1 38753199 ZTTTYGAEHLXIDI-QGZVFWFLSA-N 357.450 3.794 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1Cl 38754181 WPLKFSBQWRZVMW-UHFFFAOYSA-N 363.797 3.786 0 40 FHAB CC[C@H](C(=O)Nc1cc(C)on1)N1CCC[C@H](c2nc3ccccc3o2)C1 40081909 UCSIKQXPCRUQOI-GOEBONIOSA-N 368.437 3.721 0 40 FHAB c1ccc(Cc2noc(CN(Cc3cccs3)C[C@H]3CCCO3)n2)cc1 40105762 WZBOQDYGBKKDDN-QGZVFWFLSA-N 369.490 3.903 0 40 FHAB CC(C)CC[C@H](C)NC(=O)CS(=O)(=O)Cc1ccc(C(C)C)cc1 40106004 GZQOQIFFVWMMSY-INIZCTEOSA-N 353.528 3.666 0 40 FHAB CCCN1CCC(NC(=O)C(C)(C)Oc2ccc(Cl)c(C)c2)CC1 40488445 QBCKEZOORMGDEJ-UHFFFAOYSA-N 352.906 3.796 0 40 FHAB O=C(CSC(c1ccccc1)c1ccccc1)NCCn1ccnc1 43945871 GNJYLXBAUNXGJR-UHFFFAOYSA-N 351.475 3.522 0 40 FHAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCCc1cnn(C)c1 46993107 CPJMXXWKTWFRAF-LLVKDONJSA-N 355.269 3.672 0 40 FHAB C[C@H](CNC(=O)Nc1ccn(Cc2ccccc2)n1)N(C)c1ccccc1 48342359 PKFUVEQMHHZHMZ-QGZVFWFLSA-N 363.465 3.578 0 40 FHAB Cc1cc(NC(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)no1 48354287 LLOIKSUTLCFFNW-CQSZACIVSA-N 352.394 3.840 0 40 FHAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)CCCn1cncn1 48374839 BXXSBQVAIMNUNC-KRWDZBQOSA-N 363.465 3.614 0 40 FHAB CCCOc1ccccc1NC(=O)CCC(=O)c1ccc2c(c1)OCCO2 49957720 XAEZFYLVYCEFIK-UHFFFAOYSA-N 369.417 3.848 0 40 FHAB Cc1ccc(Br)cc1NC(=O)[C@H](C)NC(=O)OC(C)(C)C 53998033 HCWDHVCHEINIQB-JTQLQIEISA-N 357.248 3.609 0 40 FHAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1 54500414 KMLXRJBJPMGLHP-QWHCGFSZSA-N 364.829 3.684 0 40 FHAB O=C(C[C@H]1C(=O)OCCN1Cc1ccccc1)Nc1cccc2ccccc12 54670579 JFUVINLSRAKNOG-NRFANRHFSA-N 374.440 3.596 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCC[C@@H]2CCCC[C@@H]21 54670646 PXXZCRIABFXNJF-HKUYNNGSSA-N 365.477 3.853 0 40 FHAB CCN(CC)c1ccc(NC(=O)CN2CCC[C@@H](C(F)(F)F)C2)cc1 57352395 GDVJIOMXUTVJAY-CQSZACIVSA-N 357.420 3.746 0 40 FHAB O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N(Cc1ccccn1)C1CC1 57480104 FTQGIQBKQNHLMG-UHFFFAOYSA-N 374.359 3.593 0 40 FHAB CCC(=O)N[C@H](CCSC)C(=O)N[C@@H](C)CC(C)(C)c1ccccc1 58325420 INGRUUWBEDBJIN-DOTOQJQBSA-N 364.555 3.507 0 40 FHAB Cc1ccc(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)cc1 60886838 PWAIJAQTJMIHES-UHFFFAOYSA-N 358.441 3.882 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)C(=O)c2ccc(C)cc2)c(OC)c1 65539001 GNZHRCASAMQVPR-SFHVURJKSA-N 353.418 3.559 0 40 FHAB O=C(CSc1ccc(F)cc1)NC[C@H](O)c1cccc2ccccc12 70636022 SCJGMJBKSAALBO-IBGZPJMESA-N 355.434 3.921 0 40 FHAB Cc1nc(-c2ccncc2)sc1C(=O)Nc1ccc2c(c1)OCCO2 71280631 OCGOHCPQGAQRIJ-UHFFFAOYSA-N 353.403 3.537 0 40 FHAB Cc1ccccc1-c1ncc(-c2nccn2-c2ccc3n[nH]nc3c2)cn1 72131984 HILCMHJBRQIGMZ-UHFFFAOYSA-N 353.389 3.576 0 40 FHAB Cc1cccnc1Nc1cccc([C@@H]2CCCN2Cc2cn(C)nc2C)n1 72375347 PGUSQXUEUACNAT-IBGZPJMESA-N 362.481 3.908 0 40 FHAB Fc1ccc(CN2CCCC[C@H]2c2ccnc(Nc3ncccn3)n2)cc1 72377414 NUQWPEMUPJMIGT-SFHVURJKSA-N 364.428 3.877 0 40 FHAB Cc1cccnc1Nc1nccc([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 72377504 WAMPMFIKOBTRQS-SFHVURJKSA-N 373.460 3.943 0 40 FHAB Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@H](C)n2cccn2)C3)cs1 89359654 AOCDBRCOHNDOOW-NSHDSACASA-N 358.492 3.522 0 40 FHAB CC(C)Oc1ccc([C@@H](O)CNCc2cn(C)nc2-c2cccs2)cc1 93965579 UHUCXGVFPUAPQI-SFHVURJKSA-N 371.506 3.759 0 40 FHAB COc1ccccc1-c1cn2c(n1)CO[C@@H](CNCc1ccc(C)cc1)C2 96269420 ACUCFDQVYPSVPT-SFHVURJKSA-N 363.461 3.556 0 40 FHAB biogenic,in-vitro O=C(NCc1ccccc1)c1nnc(/C(Cl)=C\c2cccnc2)s1 96930500 PSFRBIUISQPRNQ-NTEUORMPSA-N 356.838 3.600 0 40 FHAB COc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccccc2)no1 98211308 VKPUILPWBOISIM-UHFFFAOYSA-N 374.400 3.852 0 40 FHAB O=C(C[C@H]1CC[C@H](C(=O)O)CC1)c1ccccc1I 100449813 RRPWJEVRSVJDIK-PHIMTYICSA-N 372.202 3.755 0 40 FHAB Oc1ccccc1C1=C[C@@H](c2ccc(Br)cc2)n2ncnc2N1 100701157 HFGLOSSKYVCKOQ-HNNXBMFYSA-N 369.222 3.802 0 40 FHAB COc1ccc(OC)c([C@@H]2C=C(c3ccc(C)c(C)c3)Nc3ncnn32)c1 101514288 BWXCHWJDIQCEMK-IBGZPJMESA-N 362.433 3.968 0 40 FHAB O=C(OCCOc1ccccc1Cl)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 102297618 OVUPYQUAHSEBPO-CXTCDGGRSA-N 350.842 3.593 0 40 FHAB COc1ccc2cc(C(=O)NC[C@@H](O)c3cccc4ccccc34)[nH]c2c1 206701103 LRAFCMLFBGRBPY-OAQYLSRUSA-N 360.413 3.793 0 40 FHAB CCC[C@@H](C)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1C(=O)O 217639684 RDFVIUJNUXZLKY-CYBMUJFWSA-N 362.451 3.786 0 40 FHAB O=C(c1cccc(-n2cccn2)c1)N1CCS[C@@H](c2ccco2)CC1 219412822 WKAHVMCTFZKZGK-GOSISDBHSA-N 353.447 3.786 0 40 FHAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222709457 QPAAMSHOJONNFM-GJZGRUSLSA-N 355.434 3.665 0 40 FHAB COc1cccnc1NC(=S)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 225676738 BTDFLPYBOBHFNN-AWEZNQCLSA-N 357.479 3.987 0 40 FHAB CCOC1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCCCC1 225709012 ZOMBIBZVFDQDNT-UHFFFAOYSA-N 360.498 3.839 0 40 FHAB O=C(/C=C/c1cccs1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225729844 YSQXITCPKLHXGL-ITDFMYJTSA-N 368.380 3.855 0 40 FHAB Fc1cccc(F)c1NC(=S)NCc1nc(-c2cccs2)no1 225827196 YUXSROWTVREYAE-UHFFFAOYSA-N 352.391 3.563 0 40 FHAB CCCOC1(C(=O)Nc2ccc(OC)c(C(=O)OC)c2)CCCCCC1 225852349 FFMGPZCYBOHLDK-UHFFFAOYSA-N 363.454 3.940 0 40 FHAB CC(C)n1nccc1-c1cnc(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cn1 257218154 DCAZYLNNGSYCIG-INIZCTEOSA-N 369.513 3.748 0 40 FHAB CC(C)(C)c1ccc2c(c1)[C@@H]1O[C@@H]3CCN(CC(=O)O)[C@@H]3C[C@H]1C(C)(C)O2 257307215 SXRRBMCFMYLBPX-CIWUYKSXSA-N 373.493 3.760 0 40 FHAB O=C(c1cncs1)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 257308287 TWEDRNCLMRIYRG-OAHLLOKOSA-N 353.447 3.742 0 40 FHAB Fc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccsc4)C2)OC3)cc1 306143363 YAGFBKWJMFMSOZ-FQEVSTJZSA-N 369.465 3.926 0 40 FHAB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1C(C)(C)C 408963218 AYOLUKYOXSWVSC-BOPFTXTBSA-N 351.475 3.630 0 40 FHAB c1cn(-c2ccc(CN3CCCN(CC4CCCCC4)CC3)cc2)cn1 506913892 VARCEKSRCSHGEM-UHFFFAOYSA-N 352.526 3.960 0 40 FHAB CC[C@@H](NC(=O)N1Cc2cnn(-c3ccccc3)c2C1)c1c(C)noc1C 571635304 GKPYVENIIYVYCV-QGZVFWFLSA-N 365.437 3.654 0 40 FHAB C[C@@H]1NCC[C@@H]1C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 580711519 GQCDLXXZVSIEGI-HZMBPMFUSA-N 369.412 3.689 0 40 FHAB CC(C)(C)CC(=O)Nc1ccc(CC(=O)N2CCCCC[C@H]2CCO)cc1 585082101 FZXHFPVMNVPRRX-IBGZPJMESA-N 374.525 3.757 0 40 FHAB FC(F)(F)c1nc(-c2cccc([C@H]3CCCN(CC4CC4)C3)n2)no1 585289486 IFCRBCXXRYWGRZ-LBPRGKRZSA-N 352.360 3.740 0 40 FHAB C[C@H]1CC[C@@H]2[C@@H](O1)c1ccccc1OC21CCN(Cc2cnn(C)c2)CC1 643913234 MHLQYYZGGWGNOY-SCWSEQNSSA-N 367.493 3.704 0 40 FHAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCc2nc[nH]c2C1 646260922 ROFMMGVLWSGFLL-UHFFFAOYSA-N 358.854 3.694 0 40 FHAB Cc1cc(S(=O)(=O)NC[C@@H](O)c2cccc3ccccc23)sc1C 1655975768 UUMHMOVAAOJABU-QGZVFWFLSA-N 361.488 3.530 0 40 FHAB Cn1nccc1-c1ccc(CCNC(=O)c2ccc3ncsc3c2)cc1 1889277376 LUTGBULKFYXZSU-UHFFFAOYSA-N 362.458 3.669 0 40 FHAB Cc1ccsc1CN1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037981030 RFIYWOWKCMAPKU-NRFANRHFSA-N 370.518 3.845 0 40 FHAB CCCc1cc(C(=O)OCC)c(NC(=O)c2ccc3c(c2)OCO3)s1 659818 ASKVHNJNAAKSIX-UHFFFAOYSA-N 361.419 3.858 0 40 FHAB COc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccco1 904757 QPZVBKHBDFCBRU-QINSGFPZSA-N 368.414 3.759 0 40 FHAB Cc1nnc(SCC(=O)NCc2ccccc2)n1-c1cccc(Cl)c1 925055 YTXBTPWMXLPNFK-UHFFFAOYSA-N 372.881 3.638 0 40 FHAB COc1ccc(C(=O)Nc2ncnc3sc4c(c23)CCCC4)cc1OC 942221 PDPJHJANCNXOCK-UHFFFAOYSA-N 369.446 3.840 0 40 FHAB Cc1cc(C)nc(S[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)n1 1470174 VDNPWYKNDZPTTA-JTQLQIEISA-N 356.706 3.654 0 40 FHAB CCOC(=O)c1ccc(CSc2nnc3ccc4ccccc4n23)o1 1924182 KCOAJGKNDULDGC-UHFFFAOYSA-N 353.403 3.945 0 40 FHAB COc1ccc(-c2c(NC(=O)C(C)C)n(C)c3ccccc3c2=O)cc1 2217857 YRKZTAHIKWJNGX-UHFFFAOYSA-N 350.418 3.809 0 40 FHAB COc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c(C)c1C 2696989 IWELNBZKOYHQAB-UHFFFAOYSA-N 373.518 3.955 0 40 FHAB CC(=O)c1ccccc1OC[C@H](O)CN1CCC(Cc2ccccc2)CC1 2701385 CYURWTUTRZNZFG-OAQYLSRUSA-N 367.489 3.584 0 40 FHAB O=C(NCCCN1CCCCC1)c1cc(-c2ccncc2)nc2ccccc12 3044570 PCANOLOKQSFDMB-UHFFFAOYSA-N 374.488 3.903 0 40 FHAB O=C(COC(=O)c1cccc(Cl)c1)Nc1ncc(Cl)cc1Cl 3257378 NRLHQIOBPYNYLM-UHFFFAOYSA-N 359.596 3.837 0 40 FHAB O=C(CCCOc1ccc(Cl)cc1Cl)OCC(=O)c1ccc[nH]1 3416580 WHOCTYLCQQQEPR-UHFFFAOYSA-N 356.205 3.907 0 40 FHAB CC(C)(C)c1cnnn1-c1ccc(NC(=O)COc2ccccc2)cc1 3582124 SEBILLLGWDRXDC-UHFFFAOYSA-N 350.422 3.582 0 40 FHAB O=C(CSc1nnc(-c2ccccc2)o1)NCCCc1ccccc1 3602731 IRZDBHDNXCEPOX-UHFFFAOYSA-N 353.447 3.578 0 40 FHAB CCCSc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1CC 4087492 AWJHDWBYIIZHJN-UHFFFAOYSA-N 362.543 3.633 0 40 FHAB CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 4553356 ULIUYHAJWPHOCB-UHFFFAOYSA-N 366.870 3.669 0 40 FHAB Cc1ccc(C(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)c2)cc1C 4603159 GSIUFUBNIGAUMP-LPTDTENNSA-N 371.436 3.846 0 40 FHAB O=C(Nc1cc2c(cc1C(=O)c1ccccc1F)OCCO2)c1ccco1 4703788 VTVSMONXYALPKK-UHFFFAOYSA-N 367.332 3.673 0 40 FHAB CC(C)(C)C(=O)NC1CCN(C(=S)Nc2ccccc2Cl)CC1 4888679 BLMSZYJCWGGCOK-UHFFFAOYSA-N 353.919 3.664 0 40 FHAB COc1ccc(NC(=O)[C@@H]2CCCN(c3nc(C)cc(C)n3)C2)cc1Cl 4967694 ARFOJGJPXJIPKW-CQSZACIVSA-N 374.872 3.611 0 40 FHAB Cc1ccc(-c2cc(C(F)(F)F)c3c(n2)sc2c(=O)[nH]c(O)nc23)o1 4973643 CPCKLILYTAVFKH-UHFFFAOYSA-N 367.308 3.826 0 40 FHAB O=C(Nc1cccc2ccccc12)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 5193920 NWYSRVPSISQLTA-MRXNPFEDSA-N 363.392 3.906 0 40 FHAB COc1cc(NC(=O)c2ccc(OC(C)C)cc2)ccc1N1CCCC1=O 5440215 PVXQTMFBJBUYPR-UHFFFAOYSA-N 368.433 3.862 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(Cc3csc(C)n3)o2)c(C)c1 5834594 HQFVBXDQTYWCJS-UHFFFAOYSA-N 374.491 3.773 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)c3ccc4c(c3)OCCO4)o2)cc1 5862859 GYINSLGJRZDVDW-UHFFFAOYSA-N 368.414 3.791 0 40 FHAB Cc1ccc(C2=Nn3c(COc4ccccc4F)nnc3SC2)c(C)c1 5937820 MBZUSWGQCWTBPR-UHFFFAOYSA-N 368.437 3.971 0 40 FHAB CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1Cl 6554487 GGBWVMQSMZXWIC-UHFFFAOYSA-N 364.854 3.640 0 40 FHAB O=C(Nc1nonc1-c1ccc(F)cc1)c1ccccc1Br 6756123 SEJZVCBRIJTCJJ-UHFFFAOYSA-N 362.158 3.891 0 40 FHAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(CC)cc2)cc1 6880313 WRJYFJDWBIDANZ-UHFFFAOYSA-N 374.506 3.509 0 40 FHAB CCNc1nnc(S[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)s1 7249156 WSUMKOIEGVDAMB-ZETCQYMHSA-N 360.867 3.882 0 40 FHAB Cc1cc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)c(C)n1C1CC1 7440992 PCCAWZLLRWBWIE-UHFFFAOYSA-N 355.825 3.686 0 40 FHAB Cc1nc2ccccc2c(C)c1CC(=O)N1CCN(c2ccccc2)CC1 7609172 PENIENSEIKPUDZ-UHFFFAOYSA-N 359.473 3.743 0 40 FHAB O=C(CCc1cccs1)Nc1cc2c(cc1Br)OCCO2 7779586 FOWAFSGTLTXCOQ-UHFFFAOYSA-N 368.252 3.853 0 40 FHAB CN(C)C(=O)[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1N)c1ccccc1 8287542 BJEYWXDHDHEOFD-HNNXBMFYSA-N 367.232 3.562 0 40 FHAB CCCCc1nnc(NC(=O)Nc2[nH]c(C)c(C(=O)OCC)c2C)s1 8338040 AHVHOQJJGKAHMD-UHFFFAOYSA-N 365.459 3.646 0 40 FHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)COc1cccc(Cl)c1 8349666 NKDBQBKRXZCVJA-CQSZACIVSA-N 370.840 3.519 0 40 FHAB COc1cccc(OCCOCCN2CCCC[C@H]2c2cccnc2)c1 8792458 FQSIMOGMYYIYQY-NRFANRHFSA-N 356.466 3.713 0 40 FHAB biogenic Cc1ccc(-c2nonc2NC(=O)COc2c(C)cc(C)cc2C)cc1 8915722 PTCBUSJHKYVTLT-UHFFFAOYSA-N 351.406 3.988 0 40 FHAB COc1ccc(-c2nnc(NC(=O)c3cc(Cl)ccc3OC)o2)cc1 9062280 PYGIDOQGQOBPTJ-UHFFFAOYSA-N 359.769 3.660 0 40 FHAB Cc1ccsc1CN(Cc1cncn1Cc1ccccc1)C[C@H](C)O 12143704 SVOUFNSZOJISGA-KRWDZBQOSA-N 355.507 3.684 0 40 FHAB Cc1cc(C)n(CCC(=O)N2CCC[C@H]2c2nc3cc(C)c(C)cc3[nH]2)n1 12144801 UUHRUMZJJFERJA-IBGZPJMESA-N 365.481 3.747 0 40 FHAB O=C(O)c1ccc(S(=O)(=O)Nc2ccc(N3CCCCCC3)cc2)cc1 12560922 ACHUGSVQNHQVSJ-UHFFFAOYSA-N 374.462 3.566 0 40 FHAB CN(C(=O)c1ccccc1)c1nc(CC(=O)Nc2ccccc2)cs1 12705673 FTDKYFVHTYXSDE-UHFFFAOYSA-N 351.431 3.601 0 40 FHAB CN(C)Cc1ccccc1CNC(=O)Cc1c(Cl)cccc1Cl 12904139 GENQZHYYLYMHMX-UHFFFAOYSA-N 351.277 3.914 0 40 FHAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](c1ccccc1)C1CC1 12924587 LCRYMGWODOFSTH-DNVCBOLYSA-N 352.434 3.569 0 40 FHAB CC(C)c1ccccc1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 13002457 UXLRBFOEPTZXBN-UHFFFAOYSA-N 350.418 3.711 0 40 FHAB Cc1cccc(CCCNC(=O)CN2C(=O)c3cccc4cccc2c34)c1 13668316 JMBNZNIHYNVODM-UHFFFAOYSA-N 358.441 3.857 0 40 FHAB CC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1Cl 13685558 FJEPAIYGJNSFKD-CYBMUJFWSA-N 360.841 3.884 0 40 FHAB COc1cc(NC(=O)CCn2ccc3cc(OC)ccc32)cc(OC)c1 13687213 BVHYSPLTLDGMOA-UHFFFAOYSA-N 354.406 3.696 0 40 FHAB CCOC(=O)N1CCC(Nc2nc(C)nc3sc4c(c23)CCC4)CC1 15129552 FFGKOZFPYSQHOS-UHFFFAOYSA-N 360.483 3.521 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)NCc1csc(-c2ccccc2)n1 15832342 VPUPCPHIAAJYAR-AWEZNQCLSA-N 368.458 3.902 0 40 FHAB CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)NCCCOC 16440586 CNZMCJWYHJBWEH-SAPNQHFASA-N 352.434 3.688 0 40 FHAB CCCn1c(SCC(=O)OC)nnc1-c1csc2c1CCCC2 17072970 KMOWFPODDGDOFW-UHFFFAOYSA-N 351.497 3.561 0 40 FHAB O=C(/C=C/c1ccco1)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 17073908 YMGNMKRLXQSBFH-VAWYXSNFSA-N 358.353 3.732 0 40 FHAB CN(Cc1ccco1)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 17790657 GFAWBVKYDWOZAG-UHFFFAOYSA-N 358.401 3.800 0 40 FHAB CC(=O)c1cc(C(=O)N2CCC[C@H](c3cc4cccnc4[nH]3)C2)cs1 19023121 XZGOUXLEMBNGIW-AWEZNQCLSA-N 353.447 3.847 0 40 FHAB c1cncc(-c2noc([C@H]3CCN(Cc4ccnc5ccccc45)C3)n2)c1 19376059 LXQANRQSOKTLIM-KRWDZBQOSA-N 357.417 3.669 0 40 FHAB CCc1nccn1CCC(=O)N[C@H]1[C@@H]2CCCC[C@H]2[C@@H]1c1ccccc1 19523655 IWQBXYMQKMVSRD-UBBRYJJRSA-N 351.494 3.924 0 40 FHAB Cc1[nH]c2ccc(NC(=O)CCc3nc(-c4ccncc4)no3)cc2c1C 19576874 KVPPDZRZXKDHEU-UHFFFAOYSA-N 361.405 3.801 0 40 FHAB C[C@H]1CCC[C@@H](N2CCC(N3CCN(Cc4ccccc4)CC3)CC2)C1 19888817 KZAYPWPXFXBOLG-NZQKXSOJSA-N 355.570 3.847 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCc1c[nH]c2ccccc12 21182621 UVDLHYODDMCRFI-UHFFFAOYSA-N 372.472 3.872 0 40 FHAB Cc1ccnc2nc(C(=O)OCc3sc4ccccc4c3Cl)nn12 21977030 QKTPVXFQSMIMNN-UHFFFAOYSA-N 358.810 3.658 0 40 FHAB O=C(c1ccoc1)N1CCC(NC(=O)C2(c3ccccc3)CCCC2)CC1 24467220 LAXHHYYSXNWDOD-UHFFFAOYSA-N 366.461 3.512 0 40 FHAB COc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1 27581500 CINMGHWPKQRDBR-LJQANCHMSA-N 358.869 3.916 0 40 FHAB biogenic Cc1cccc(N2CCN(CC[C@@H](C)NC(=O)C3CCCCC3)CC2)c1 32579751 GPJFZQZZKJFFOC-LJQANCHMSA-N 357.542 3.592 0 40 FHAB COc1cccc(C(=O)CSc2n[nH]c(/C=C/c3ccccc3)n2)c1 32789363 SFNFYZAHDNTSNE-ZHACJKMWSA-N 351.431 3.959 0 40 FHAB O=C(c1ccc(Sc2ccc3c(c2)OCCCO3)nc1)N1CCCC1 32829047 HJHHJHZUNNPMMG-UHFFFAOYSA-N 356.447 3.630 0 40 FHAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1CCc1ccccc1 33575756 IXBAGRRRPVBWJJ-UHFFFAOYSA-N 357.450 3.513 0 40 FHAB CC(=O)NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 33761464 PVRSZJMKSCBCJI-UHFFFAOYSA-N 372.833 3.946 0 40 FHAB CN(C)[C@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1cccs1 35982408 OHMPHPSIUYJVTH-OAHLLOKOSA-N 366.914 3.978 0 40 FHAB Cc1cc(C(=O)NCc2ccco2)c2c(-c3ccccc3F)noc2n1 36618522 FNMGMMZNGJHOEN-UHFFFAOYSA-N 351.337 3.860 0 40 FHAB O=C1C[C@H](Nc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 36635761 BKUKKECZNQITBI-AWEZNQCLSA-N 353.180 3.877 0 40 FHAB O=C(NCc1cc(-c2cccs2)on1)c1cc(-c2ccc(F)cc2)n[nH]1 36662407 QGXAJQQHCAZASQ-UHFFFAOYSA-N 368.393 3.862 0 40 FHAB CCc1sc(C(=O)NCC(=O)N[C@@H](C)c2cc(C)sc2C)cc1C 40080960 NMKAHNKJYGDYSQ-LBPRGKRZSA-N 364.536 3.904 0 40 FHAB COc1ccc(OC)c(CNCCCNc2ccc(C(F)(F)F)cn2)c1 40088633 XOIOZEIBSJSFHB-UHFFFAOYSA-N 369.387 3.709 0 40 FHAB O=C(CCc1nc(Cc2ccccc2)no1)N1CCC[C@@H]2CCCC[C@@H]21 40107290 MDYCKVQACLBZPB-ROUUACIJSA-N 353.466 3.774 0 40 FHAB O=C(NCC[C@@H]1CCCO1)Nc1cccc(OCCc2ccccc2)c1 40151788 OIOSAKODXXVKSG-IBGZPJMESA-N 354.450 3.999 0 40 FHAB COc1ccc(CCNC(=O)CNc2ccc(SC(F)F)cc2)cc1 40162254 QKUDYXVQOHIAKG-UHFFFAOYSA-N 366.433 3.781 0 40 FHAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1ccco1 47234510 XFTREFXQAXHFIV-UHFFFAOYSA-N 366.760 3.986 0 40 FHAB Cc1cccc2c(=O)n(CC(=O)N(C)c3ccc4ccccc4c3)cnc12 53252863 FMRMLMAKLQMDLK-UHFFFAOYSA-N 357.413 3.521 0 40 FHAB Cc1ccc(C(=O)C(=O)Nc2ccccc2OC[C@H]2CCCCO2)cc1 56349963 REDOTUZVBHCHGK-QGZVFWFLSA-N 353.418 3.764 0 40 FHAB COc1ccc(NC(=O)NC[C@@H](C)Cn2nc(C)cc2C)c2cccnc12 58050707 BZNSEPJPLPENON-CYBMUJFWSA-N 367.453 3.515 0 40 FHAB O=C(Nc1ccncc1)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 58190952 VVNINURTZWCFFP-AWEZNQCLSA-N 367.384 3.682 0 40 FHAB CC(=O)Nc1cccc(CNC(=O)c2c(Cl)c3ccccc3n2C)c1 58250080 VTQPXMAXJIHEDP-UHFFFAOYSA-N 355.825 3.720 0 40 FHAB CCOC(=O)c1sc2nc(C)nc(Nc3ccc(NC)nc3)c2c1C 58406791 KVVXXFWWRZDJTH-UHFFFAOYSA-N 357.439 3.665 0 40 FHAB O=C(Nc1ccccc1N1CCCC1)c1cnn(-c2ccccc2F)c1 58633935 SYTKDQZKFKOYEF-UHFFFAOYSA-N 350.397 3.864 0 40 FHAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 60158330 YOJCALKTSDZUNL-MRVPVSSYSA-N 350.312 3.696 0 40 FHAB Cc1ccc(CSCC(=O)NCc2nc(-c3cccs3)no2)cc1 65778547 IMUYOYDYCUZOSU-UHFFFAOYSA-N 359.476 3.656 0 40 FHAB O=C(NCc1ccccc1CN1CCCCC1)c1c(O)cc(F)cc1F 66042437 LOINTKZTHYTBKA-UHFFFAOYSA-N 360.404 3.586 0 40 FHAB O=C(c1c[nH]c(=O)c(Cl)c1)N(CCc1ccccc1)c1ccccc1 69361784 XKNUHUSDRCTPRX-UHFFFAOYSA-N 352.821 3.918 0 40 FHAB C[C@@](O)(CNC(=O)c1cc(Br)ccc1Cl)c1ccccc1 70639642 BUHHHUIVNUEBMT-MRXNPFEDSA-N 368.658 3.740 0 40 FHAB COc1ccc(C2(C(=O)Nc3nc4c(s3)CCCC4)CCOCC2)cc1 71284263 GOSYWZWBQIHNPU-UHFFFAOYSA-N 372.490 3.717 0 40 FHAB Cc1ccc2nc(C)c(C(=O)OCCc3c[nH]nc3C(F)(F)F)cc2c1 71996261 OQQOHWADUMFQQJ-UHFFFAOYSA-N 363.339 3.993 0 40 FHAB Cc1noc(CCCNC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1 72092397 ARQCUDSZLOXGQC-AWEZNQCLSA-N 361.511 3.953 0 40 FHAB Cc1ccc(C)c2nc3c(cc12)CN(Cc1ccc(F)cc1)C(=O)CO3 72341552 VQRXDSBRWRBRBL-UHFFFAOYSA-N 350.393 3.912 0 40 FHAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccccc2-c2nnnn2C2CC2)C1(C)C 74070461 SZXYHHVVZIDZOH-RDJZCZTQSA-N 351.454 3.852 0 40 FHAB C[C@H]1Sc2ccccc2N(S(=O)(=O)c2cc(C(=O)O)cs2)[C@@H]1C 79105861 KSJHSQKNFXNGPZ-NXEZZACHSA-N 369.489 3.524 0 40 FHAB CC(C)(CNC(=O)N1CC[C@H](COCc2ccccc2)C1)c1ccncc1 92363891 UGIGNHKMNZCZKI-IBGZPJMESA-N 367.493 3.608 0 40 FHAB CC(C)(C)OC(=O)N[C@@H]1CCCN([C@H](C(=O)O)c2cc3ccccc3o2)C1 95868159 HDNYGKNQOPVAMD-PBHICJAKSA-N 374.437 3.548 0 40 FHAB c1cc(COCc2cncc3c2CCN(Cc2ccsc2)C3)ccn1 96059324 UWPULUYVPMTVND-UHFFFAOYSA-N 351.475 3.813 0 40 FHAB COc1cccc(-c2ccc3ccc(-n4ccc(C(=O)NC(C)C)n4)n3c2)c1 96155447 UCRVTEPXIWSHAE-UHFFFAOYSA-N 374.444 3.939 0 40 FHAB O=C(c1n[nH]c2c1CCCCC2)N1CCC(c2nc3ccccc3[nH]2)CC1 96223043 JKBRJJSDVZBCEC-UHFFFAOYSA-N 363.465 3.575 0 40 FHAB O=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccsc2)ns1 96346459 GRHDTDZEDXYVDU-UHFFFAOYSA-N 351.840 3.938 0 40 FHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2csc(Nc3ccc4c(c3)OCO4)n2)C1 96572376 UBMOUBBRNPNZPM-VXGBXAGGSA-N 359.451 3.734 0 40 FHAB O=C(O)C1CCN(C(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)CC1 97017388 NUOOXESXSVPSEK-HUUCEWRRSA-N 370.474 3.669 0 40 FHAB O=C(CN1CCCC1)N1N=C(c2cccc(F)c2)C[C@@H]1c1cccs1 97163508 HNTCJMVTUWSPDU-QGZVFWFLSA-N 357.454 3.661 0 40 FHAB C[C@@H]1Oc2ccccc2N(CCc2nc(-c3cccc(Cl)c3)no2)C1=O 109469120 AIGBAMPLUIMPAQ-LBPRGKRZSA-N 369.808 3.747 0 40 FHAB COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@]32O)C1 118915118 JQRLVXRTTRZQBF-RBQMRXPLSA-N 350.499 3.702 0 40 FHAB NC(=O)c1cccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 216919881 GHZKPMURDPYKOO-UHFFFAOYSA-N 350.603 3.745 0 40 FHAB O=C(O)[C@H]1[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218473376 KTOWDRUKIHSHEU-ILXRZTDVSA-N 371.241 3.634 0 40 FHAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCSC(C)(C)C 219676473 MMSDUATVGKBIIO-LLVKDONJSA-N 360.317 3.864 0 40 FHAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 223094070 ZAVDAPTYNGCZGH-LJQANCHMSA-N 366.505 3.871 0 40 FHAB COc1ccc(NS(=O)(=O)c2cc(Cl)ccc2SC)cc1OC 223437602 KNJXJSSJMBYGQD-UHFFFAOYSA-N 373.883 3.880 0 40 FHAB O=C(NCc1cccc(CN2CCCC2)c1)c1ccc(Br)cc1 224590480 RFUAXGJKNQEPDP-UHFFFAOYSA-N 373.294 3.975 0 40 FHAB Cc1ccc(-c2noc(CNC(=O)CCc3ccc(Cl)cc3)n2)cc1 225311797 WMOVUXKGFXUZSV-UHFFFAOYSA-N 355.825 3.947 0 40 FHAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 225400624 SCGNZTNHUHVHBW-INIZCTEOSA-N 372.896 3.663 0 40 FHAB COc1cccc(NC(=O)[C@@H](C)Oc2nn(-c3ccccc3)cc2C)c1 227158677 NOPHCDVICMMKMW-OAHLLOKOSA-N 351.406 3.595 0 40 FHAB O=C(NC[C@@](O)(c1ccoc1)c1cccs1)c1ccc(Cl)s1 245026643 NELIFHMCNBJGKQ-OAHLLOKOSA-N 353.852 3.722 0 40 FHAB CCOC(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2cc(Cl)ccc2N1 253596248 OZSYVNDSCSKJEF-AUENNLLBSA-N 362.857 3.581 0 40 FHAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 260839144 JBTCOBPXZFISID-ZSFSRSCVSA-N 364.445 3.664 0 40 FHAB CCn1c(Sc2ccc(C=O)o2)nnc1-c1cc(OC)cc(OC)c1 408553282 PTUNPFNEVZMPIP-UHFFFAOYSA-N 359.407 3.539 0 40 FHAB COc1ccc(Cl)cc1C(=O)N1CC[C@H](n2cnc3ccccc32)C1 575617011 MFSIHCIYBMKKSM-AWEZNQCLSA-N 355.825 3.786 0 40 FHAB Cc1ccc(CC(=O)N2CCC3(CCC(=O)N(CC4CCC4)C3)CC2)cc1 585101983 QFSJMHXGXZFWLO-UHFFFAOYSA-N 368.521 3.569 0 40 FHAB Cc1cc(C)cc(N2CC[C@H](C(=O)N3CCC=C(c4ccco4)C3)C2=O)c1 672067012 HTKWMMBLAOYFFF-LJQANCHMSA-N 364.445 3.565 0 40 FHAB Cc1nnc2n1C[C@H](C(=O)NCC1(C3CCCCC3)CCCCC1)CC2 677978572 IGLZGHFUUUHOML-QGZVFWFLSA-N 358.530 3.796 0 40 FHAB O=C(Nc1c(O)n[nH]c1-c1ccccc1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 1636373237 WRNGBJJTIXODAK-VXGBXAGGSA-N 373.334 3.942 0 40 FHAB Cc1cc(N2C[C@@H]3CN(Cc4ccc(Cl)c(Cl)c4)C[C@H]3C2)ncn1 2086887034 RZPORUGFXCWIBQ-GJZGRUSLSA-N 363.292 3.660 0 40 FHAB CC(C)(C)OC(=O)N1CCC(Cc2cc(F)c(F)c(F)c2)(C(=O)O)CC1 1857794369 PQTXHWDSKVJNHN-UHFFFAOYSA-N 373.371 3.748 0 40 FHAB CC[C@@H](CNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 23748271 YVRAFHCPWJQYJH-INIZCTEOSA-N 360.498 3.944 0 40 FHAB Cc1cc2ccccc2n1CC(=O)NCc1ccc(NC(=O)C2CC2)cc1 9117946 VYWPUPXTRLGADX-UHFFFAOYSA-N 361.445 3.615 0 40 FHAB Cc1noc([C@@H](C)SCc2cc3c(cc2Br)OCCO3)n1 78624377 HMRHRLMRAPBETI-MRVPVSSYSA-N 371.256 3.906 0 40 FHAB CCc1ccc(N2C[C@@H](C(=O)NCc3ccccc3Cl)CC2=O)cc1 3087449 DNWFXILHMLGQAJ-INIZCTEOSA-N 356.853 3.572 0 40 FHAB Cc1nc(CN2CCN(C(=O)Nc3cccc4c3CCCC4)CC2)cs1 43316300 FBENUFSPUJQHKP-UHFFFAOYSA-N 370.522 3.680 0 40 FHAB COc1nc2ccccc2c2nnc(-c3ccc(Br)cc3)n12 1400145 CLIJCTCNVFHARO-UHFFFAOYSA-N 355.195 3.716 0 40 FHAB Cc1ccc(NC(=O)COc2cc(C)nc(N3CCC[C@@H](C)C3)n2)c(C)c1 44168369 GKIWRCGCYYXSMS-OAHLLOKOSA-N 368.481 3.656 0 40 FHAB CCc1cccc(C)c1NC(=O)[C@H](C)n1cnc2sc(C)cc2c1=O 1791902 XFJNIFKVHCGNJM-ZDUSSCGKSA-N 355.463 3.837 0 40 FHAB COc1ccc(NC(=O)c2cc(F)ccc2Br)c(OC)c1 8324743 QCABVDDJGKGXCK-UHFFFAOYSA-N 354.175 3.858 0 40 FHAB Cc1sc(-c2ccccc2)c(-c2ccccc2)[n+]1CCCS(=O)(=O)O 1883763 DNTIJDZVBWOXTB-UHFFFAOYSA-O 374.507 3.956 0 40 FHAB Cc1csc(CCNC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)n1 58227344 MYUVZEOSCBIIDA-KBPBESRZSA-N 365.296 3.676 0 40 FHAB O=C1Cc2cc(-c3csc(NCC(F)(F)F)n3)cc3c2N1CCC3 58356277 SUUGMRYTEWXBIM-UHFFFAOYSA-N 353.369 3.620 0 40 FHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccc(F)cc1Cl 11157811 BMCJFXSABWCPLW-NSHDSACASA-N 361.804 3.655 0 40 FHAB CCc1cccc(NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)cc2=O)c1 57477808 NLVLLHQPCNHCKA-UHFFFAOYSA-N 365.408 3.559 0 40 FHAB COc1cc(OC)c(NC(=O)COc2ccc(F)cc2F)cc1Cl 29424510 XLSTZTHXCZWXSK-UHFFFAOYSA-N 357.740 3.653 0 40 FHAB Cc1cc(CS(=O)(=O)Cc2csc(-c3ccccc3Cl)n2)on1 46114100 ZMBORKSREWLZSZ-UHFFFAOYSA-N 368.867 3.875 0 40 FHAB C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cc2ccccc2o1 46690741 MXXAUJTYMPIJNX-NVXWUHKLSA-N 369.465 3.538 0 40 FHAB O=C1O[C@@H](CC(=O)c2ccccc2)C(Nc2ccccc2)=C1Br 101463408 QKBKZLJEBUWXLF-HNNXBMFYSA-N 372.218 3.903 0 40 FHAB COc1cccc2c(NC(=O)c3cncc(Br)c3)cc(C)nc12 12324893 INOTWNQDVXOFIS-UHFFFAOYSA-N 372.222 3.962 0 40 FHAB O=C(O[C@@H]1CCCCC1=O)c1ccccc1OCCOc1ccccc1 3301339 YDZLNAWHEYYBQZ-HXUWFJFHSA-N 354.402 3.813 0 40 FHAB NCc1ccc(C(=O)Nc2ccc(Br)c3cccnc23)cc1 27930451 RLBBWRWTFSYSEJ-UHFFFAOYSA-N 356.223 3.708 0 40 FHAB CN(Cc1ccc(Cl)c(Cl)c1)Cc1cc(=O)n2ccsc2n1 3381274 FKNBKSVKTDADHG-UHFFFAOYSA-N 354.262 3.695 0 40 FHAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NCc1cccc(C(F)(F)F)c1 27974602 QFENBQZKUUOYGY-LLVKDONJSA-N 367.323 3.518 0 40 FHAB CC[C@@H](C)n1c(SCC(=O)NC2CCCC2)nc2ccccc2c1=O 3507365 UZLKATMWXBDZQE-CYBMUJFWSA-N 359.495 3.518 0 40 FHAB Cc1ccc(OCCN(C)C(=O)CCc2nnc(-c3ccccc3)o2)cc1 24389318 BFOYHEHPZUKABK-UHFFFAOYSA-N 365.433 3.515 0 40 FHAB CCN(CC)Cc1ccc(CNS(=O)(=O)c2cc(C)ccc2C)cc1 12939905 CKLFPFBUDRLDTQ-UHFFFAOYSA-N 360.523 3.624 0 40 FHAB Cc1nc(-c2ccc(CNC(=O)[C@H]3Cc4cc(Cl)ccc4O3)o2)cs1 12915180 IOBLVUYUQMCDLS-QGZVFWFLSA-N 374.849 3.985 0 40 FHAB O=C(CCCNC(=O)c1ccsc1)Nc1ccc(OC(F)(F)F)cc1 12977051 UFCPDZWKUHQWLN-UHFFFAOYSA-N 372.368 3.795 0 40 FHAB COC[C@](C)(NC(=O)Nc1cnc2c(cnn2C(C)C)c1)c1ccccc1 75106230 HDJPQLKMYRKVCJ-FQEVSTJZSA-N 367.453 3.696 0 40 FHAB COc1ccc(CN(C)C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)cc1OC 63355071 XDVGRJCMNYKMJE-DLBZAZTESA-N 358.413 3.540 0 40 FHAB Cc1ccc(-n2cc(C(=O)N3CCC(Cc4ccccc4)CC3)nn2)cc1 13355634 ILQGDRCCZMVZNB-UHFFFAOYSA-N 360.461 3.671 0 40 FHAB O=C(CSc1nnc2c(Cl)cc(Cl)cn12)Nc1cccc(F)c1 6099190 FNTIYXXFLYEOIK-UHFFFAOYSA-N 371.224 3.906 0 40 FHAB CC[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)CCCC2 170570636 DLIMRQAVXBVDMA-NQIIRXRSSA-N 351.446 3.973 0 40 FHAB COc1ccc2nc(C)c(C(=O)Nc3ccc(OC)c(OC)c3)cc2c1 29699389 VGNMUGAIPJOZBN-UHFFFAOYSA-N 352.390 3.821 0 40 FHAB COc1ccc(F)cc1S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1 20030075 UFNSQDJQMDGGTA-UHFFFAOYSA-N 367.295 3.793 0 40 FHAB c1ccc(CCC[C@H]2CCCCN2c2nccc(N3CCOCC3)n2)cc1 89830492 JYUGZMOHQKVCGC-HXUWFJFHSA-N 366.509 3.695 0 40 FHAB CCc1nnc(NC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)s1 4416023 BDGHAEWYYNOYTH-NSHDSACASA-N 373.507 3.565 0 40 FHAB CC(C)[C@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1cccs1 14171700 PAQVHCMNVUQNRK-IBGZPJMESA-N 369.490 3.821 0 40 FHAB Cc1nn(C)c2sc(C(=O)Nc3ccc(C(=O)OC(C)C)cc3)cc12 14416151 AVXBAJJAYATKIP-UHFFFAOYSA-N 357.435 3.761 0 40 FHAB COc1ccccc1NC(=O)N1CCN(c2nc3ccccc3s2)CC1 6809387 OGOQODLKHYZFQS-UHFFFAOYSA-N 368.462 3.659 0 40 FHAB Cc1ccc(C(=O)NCC(=O)Nc2nc3c(C)cccc3s2)cc1C 6868262 GQXOJLWMNXVJKF-UHFFFAOYSA-N 353.447 3.590 0 40 FHAB Cc1cc(C)cc(OCC(=O)Nc2nonc2-c2ccc(C)c(C)c2)c1 15670746 FMJWEQDSWDKSNM-UHFFFAOYSA-N 351.406 3.988 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)N2CCc3cc4ccc(C)cc4nc32)c1 15841946 JFNWQTTZDFMQJG-UHFFFAOYSA-N 352.459 3.911 0 40 FHAB O=C(CN1CC=C(c2ccccc2)CC1)Nc1ccnn1C1CCCC1 7647329 TZRIPZWKIADHOZ-UHFFFAOYSA-N 350.466 3.726 0 40 FHAB Cc1csc(C2(NCC(=O)Nc3cc(Cl)ccc3F)CCC2)n1 95960373 UGSMNOZXRTYWDW-UHFFFAOYSA-N 353.850 3.852 0 40 FHAB Cc1nc2ccc(NC(=O)Cc3ccc(N4CCCC4=O)cc3)cc2s1 8185971 MLGHGJBNGHAEHI-UHFFFAOYSA-N 365.458 3.913 0 40 FHAB CCn1cc(CC(=O)N[C@@H](C)[C@@H](O)c2cccc(F)c2)c2ccccc21 83843377 OCXKRRFRGLZPED-LHSJRXKWSA-N 354.425 3.581 0 40 FHAB COCCn1c(S)nnc1CSCc1ccc(Cl)cc1Cl 17074859 LWDXLLTZCXXITP-UHFFFAOYSA-N 364.323 3.953 0 40 FHAB CCc1ccc(N2C[C@H](C(=O)N(C)Cc3sccc3C)CC2=O)cc1 69552724 SRFPZUUMUBNNHO-MRXNPFEDSA-N 356.491 3.630 0 40 FHAB O=C(C[C@H]1Sc2ccccc2NC1=O)NC12CC3CC(CC(C3)C1)C2 17305532 URBWNISQNRYCLJ-ANCGMVAHSA-N 356.491 3.575 0 40 FHAB Fc1ccccc1-n1cnnc1SCc1ccc(-n2cccn2)cc1 8529333 JGNOEXMMJDRQHZ-UHFFFAOYSA-N 351.410 3.884 0 40 FHAB COCCN(Cc1nnc(-c2cccs2)o1)C(=O)c1cc(C)cc(C)c1 24842831 MCMLBLFFTWBHQI-UHFFFAOYSA-N 371.462 3.704 0 40 FHAB COc1ccc(NC(=O)c2ccc(N3CCCC3)nc2)cc1OC(F)F 83957506 DAGKNLZTHVVHTD-UHFFFAOYSA-N 363.364 3.544 0 40 FHAB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(O)c2)n2c(nc3ccccc32)N1 8739075 ZBCPCWFJHNFDPH-LJQANCHMSA-N 363.417 3.982 0 40 FHAB C[C@H](Sc1ncnc2ccsc12)C(=O)Nc1ccc(Cl)cn1 8993851 RXSBBMKXNIUKRF-QMMMGPOBSA-N 350.856 3.859 0 40 FHAB Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccn(Cc2ccccn2)n1 84062066 UPOSHHQSZMAARV-UHFFFAOYSA-N 355.467 3.641 0 40 FHAB COc1ccc(/C=C/C(=O)N[C@H](C)CCc2ccccc2)c(OC)c1OC 408563237 KIULEKIDMMBKQU-QJPKHSJYSA-N 369.461 3.863 0 40 FHAB COc1ccccc1CNC(=O)Cn1ccc2ccc(Br)cc21 20731397 BSUJLBPLAUBSTK-UHFFFAOYSA-N 373.250 3.729 0 40 FHAB Fc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4cccs4)C2)OC3)cc1 306139957 UFFXAKQVOGRVAQ-FQEVSTJZSA-N 369.465 3.926 0 40 FHAB CCCC1=C(C(=O)OCC)[C@H](c2cccc3ccccc23)NC(=S)N1 408609976 PTRWGQZAKZVBAR-SFHVURJKSA-N 354.475 3.976 0 40 FHAB CC[C@@H](C)NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C 409002297 NAQUEPRSZRMKAL-UTKZUKDTSA-N 366.505 3.874 0 40 FHAB O=C(c1nn2c(nc(=O)c3ccccc32)s1)c1cccc2ccccc12 3849191 LNUNFXABBGUHSP-UHFFFAOYSA-N 357.394 3.688 0 40 FHAB biogenic O=C(NCC1CCN(c2nc3ccccc3o2)CC1)Nc1cccs1 70932447 KNTCWFOIJPLGNG-UHFFFAOYSA-N 356.451 3.927 0 40 FHAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H]2c2ccc(C)cc2)c1 36620741 PHLRYQMLRRDMCR-QGZVFWFLSA-N 361.463 3.538 0 40 FHAB COc1ccc(-c2nnc([C@H]3CCCN(C(=O)c4ccco4)C3)s2)cc1 36705199 FZNGWMCDNVELDS-AWEZNQCLSA-N 369.446 3.827 0 40 FHAB CCOC(=O)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1 184187882 GDMWKZGVYWUVLG-UHFFFAOYSA-N 373.836 3.952 0 40 FHAB Cc1ccc(OCC(=O)NCc2ccccc2CN2CCCC2)c(C)c1 30556330 COLSYVUVBMNXPO-UHFFFAOYSA-N 352.478 3.594 0 40 FHAB CC(C)c1n[nH]c(CNC(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)n1 563067533 QAQWQJAXUYHHLD-QGZVFWFLSA-N 353.470 3.755 0 40 FHAB CC(C)OC[C@@H](O)Cn1c([C@H](C)Oc2ccccc2)nc2ccccc21 76555465 DAPXSRDHPJUXQU-IRXDYDNUSA-N 354.450 3.962 0 40 FHAB CNC(=O)N1N=C2C(=C3[C@H]4CC[C@@H]5CC[C@H]([C@H]45)[C@H]31)[C@@H]1CC[C@H]3CC[C@H]2[C@H]31 71785658 ZZNHOUMKUHZVEA-AYUPVAICSA-N 351.494 3.795 0 40 FHAB CS(=O)(=O)c1ccc(CN[C@@H]2CCc3cc(F)c(Cl)cc32)s1 527894387 PVPWOGNWLHAEGC-CQSZACIVSA-N 359.875 3.721 0 40 FHAB CN(c1ccc2sc(C(=O)Nc3ccccc3)cc2c1)S(C)(=O)=O 46058000 DUHWLKSLGKWRBT-UHFFFAOYSA-N 360.460 3.549 0 40 FHAB CO[C@](C)(C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1)C1CC1 225643897 HPNWLUCIFZUJJA-KKSFZXQISA-N 360.498 3.693 0 40 FHAB COc1ccc(CCC(=O)N(C)Cc2nc(-c3cccs3)no2)cc1C 224538126 GWQPRIXGNJKVOS-UHFFFAOYSA-N 371.462 3.706 0 40 FHAB O=C(NCCSCc1ccccc1F)C1(c2ccccc2)CCOCC1 41777047 YUWSUDGBRLLACD-UHFFFAOYSA-N 373.493 3.924 0 40 FHAB CCOc1ccc([C@H](NC(=O)c2cccc(C(N)=O)c2)c2ccccc2)cc1 40089212 MVSLYJGXEAPQDE-OAQYLSRUSA-N 374.440 3.704 0 40 FHAB CSc1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 44883326 CTZROKCYFBGLAQ-UHFFFAOYSA-N 370.883 3.686 0 40 FHAB CCOC(=O)c1cc(NC(=O)[C@@](C)(CC(C)C)OCC)ccc1OC 225818713 KCKSKZBAXQFAPT-LJQANCHMSA-N 351.443 3.652 0 40 FHAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)S1 222592081 NITPBPHDNPWEKE-JVPBZIDWSA-N 361.474 3.857 0 40 FHAB CCOC1(C(=O)Nc2ccc(O[C@H](C)CC)c(C(=O)OC)c2)CCCC1 225828544 LYFGGAOVIHBLMU-CQSZACIVSA-N 363.454 3.938 0 40 FHAB NC(=O)c1cc(Cl)ccc1OCc1ccc(OCC(F)(F)F)cc1 40146123 RSJIMSGMWQQCDC-UHFFFAOYSA-N 359.731 3.959 0 40 FHAB CCO[C@](C)(CC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 225816517 DHQCOLNKTAFLEG-LJQANCHMSA-N 351.443 3.652 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 223011910 MXMPFPGDXAXBFL-LJQANCHMSA-N 372.896 3.744 0 40 FHAB Cc1ccc(CN2CCC[C@]3(CCN(C(=O)c4cc(C)oc4C)C3)C2)o1 96215919 OXTYRIPOIZUXSS-NRFANRHFSA-N 356.466 3.926 0 40 FHAB O=C(c1cccc2ccc(O)nc12)N1CC[C@]2(CCc3ccccc3O2)C1 583473112 XCBXFENXDPHQEU-JOCHJYFZSA-N 360.413 3.550 0 40 FHAB CCOc1ccc([C@H](N)c2n[nH]c(-c3ccccc3Cl)n2)cc1OC 95534282 VLTVLORIWHGYQE-INIZCTEOSA-N 358.829 3.581 0 40 FHAB Cc1cncc(C(=O)N2CCC[C@H](c3ccnc(Nc4ccccn4)c3)C2)c1 257282019 ORYNOOAPXGVEBE-SFHVURJKSA-N 373.460 3.943 0 40 FHAB C[C@@]1(Cc2ccccc2F)Cc2cc(C(=O)NC3CCOCC3)ccc2O1 257326419 WXDLNAYRNJOLGR-JOCHJYFZSA-N 369.436 3.671 0 40 FHAB CC(C)n1ncc2c(C(=O)N[C@H](C)c3ncccc3F)cc(C3CC3)nc21 614224042 KVLXXRPYPRWRTA-GFCCVEGCSA-N 367.428 3.915 0 40 FHAB Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@]2(CCN2C[C@H]2CCCO2)C1 585102219 ULWIPTDSVMSXMI-VGSWGCGISA-N 374.525 3.745 0 40 FHAB CN(C)c1ccc(-c2ncn3c2[C@H](NC(=O)Cc2ccccc2)CCC3)cc1 585110703 WDHMQNOHOPMSIX-HXUWFJFHSA-N 374.488 3.810 0 40 FHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc([C@@H]3C[C@H]3C)o2)cc1Cl 40091315 UXAPADSMEOENLR-BXUZGUMPSA-N 369.870 3.886 0 40 FHAB O=C1C[C@@H]2CCN(CCC(F)(F)F)C[C@@H]2CCOc2ccc(F)cc2N1 1534646079 AODPVZLKVBDUMO-STQMWFEESA-N 374.378 3.827 0 40 FHAB Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccc(Cl)cn3)n2)cc1 5867755 ALHKDUCQGXZNMJ-NSHDSACASA-N 373.869 3.948 0 40 FHAB COc1ccc(O[C@@H](C)C(=O)NCCSCc2ccccc2F)cc1 11707586 PISRGALPTNZIJJ-AWEZNQCLSA-N 363.454 3.651 0 40 FHAB Cc1cnc2c(c1)cc(C1CCOCC1)n2CC(=O)N1CCCCCC1 12223092 LWINTILEODEVHD-UHFFFAOYSA-N 355.482 3.641 0 40 FHAB Cc1ccc(C(=O)O)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 13084349 GLVGPUASNJVDGD-UHFFFAOYSA-N 353.296 3.730 0 40 FHAB Cc1csc(-c2nc(N3CCC(O)CC3)ncc2-c2ccsc2)n1 13227949 BKHZISAARBEIMI-UHFFFAOYSA-N 358.492 3.598 0 40 FHAB COc1ccc([C@H](NS(=O)(=O)c2cccc(C(C)=O)c2)C(C)C)cc1 14185642 QHIMBVVSPPPKPO-LJQANCHMSA-N 361.463 3.573 0 40 FHAB O=c1oc2ccccc2c2c1ncn2C1CCN(Cc2ccccc2)CC1 16479787 GDVGPOTVSWQKPW-UHFFFAOYSA-N 359.429 3.980 0 40 FHAB Fc1ccccc1CN(Cc1[nH]nnc1-c1ccccc1)C[C@@H]1CCCO1 19373945 MWYRZDNDEIJORY-SFHVURJKSA-N 366.440 3.792 0 40 FHAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)NCCC1=CCCCC1 19937569 HOOLSFOPORHPJV-UHFFFAOYSA-N 371.868 3.640 0 40 FHAB CCc1ccc(-n2ccc3nc4ncnn4c(-c4ccccc4)c3c2=O)cc1 19960161 AWANXZNAZSOUCH-UHFFFAOYSA-N 367.412 3.658 0 40 FHAB NC(=O)c1cc(C(=O)N[C@H](c2cccc(Cl)c2)C2CCCCC2)c[nH]1 675513244 SCXMRUASVXWXMU-KRWDZBQOSA-N 359.857 3.818 0 40 FHAB Cc1nc2ccccc2nc1N1CC(Oc2ccnc(C(F)(F)F)c2)C1 1889191916 PABPPUDAPNUDCN-UHFFFAOYSA-N 360.339 3.620 0 40 FHAB O=C(CCc1ccc(Cl)c(Cl)c1)N1CC(N2C[C@H]3CCC[C@@H]3C2)C1 1889250141 FHIQBMPIVYMRDL-HUUCEWRRSA-N 367.320 3.869 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1C 15360088 ZQAIFLBOIMMQKJ-MRXNPFEDSA-N 351.468 3.958 0 40 FHAB Cc1oc2cc(OC(=O)c3cnccn3)ccc2c(=O)c1-c1ccccc1 23689623 JGAODWBFSJQZAP-UHFFFAOYSA-N 358.353 3.778 0 40 FHAB O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1cncc(Br)c1 29607600 MUVSBRUJFNROCF-MNOVXSKESA-N 351.166 3.695 0 40 FHAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccnc(OC2CCCC2)c1 244914763 BCOVOTJHBZDIPV-UHFFFAOYSA-N 350.422 3.552 0 40 FHAB CCOc1ccc([C@H](CC(=O)O)NC(=O)[C@@H](CC)c2ccccc2)cc1 3624688 SQHAZDASRNOZBN-OALUTQOASA-N 355.434 3.911 0 40 FHAB COc1ccc(C(=O)N2CCN=C2SCc2ccccc2F)cc1OC 4120523 NAEPAMHMQRTWEH-UHFFFAOYSA-N 374.437 3.588 0 40 FHAB Cc1cccc(C)c1NC(=O)c1ccc(=O)n(Cc2cccc(F)c2)c1 7573844 ZDBILBPLDLBNCD-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB Cn1nc(-c2ccccn2)cc1CNC(=O)C1(c2cccs2)CCCC1 1775966557 LFXSNDJYIPLNAF-UHFFFAOYSA-N 366.490 3.672 0 40 FHAB CCOc1ccc(C(=O)N2Cc3ccccc3[C@@H](c3cnn(C)c3)C2)cc1 585408034 KDJXEHCOYNBDGF-OAQYLSRUSA-N 361.445 3.607 0 40 FHAB CC[C@H](NCc1cnc(N2CCC(C)CC2)nc1)c1ccc(OC)cc1 19500522 AQGQZMOKTBKICM-FQEVSTJZSA-N 354.498 3.962 0 40 FHAB CCc1nc2ccc(C(=O)OCc3nccn3C(F)F)cc2nc1CC 40051834 MFNVSQATGLCKLR-UHFFFAOYSA-N 360.364 3.703 0 40 FHAB CC(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 40128567 NQYLAECMTTWZFO-LJQANCHMSA-N 357.475 3.676 0 40 FHAB Cc1c(C(=O)N[C@H](C)c2ccc(F)cc2)nnn1-c1cccc(Cl)c1 51317668 DULFBFVWJUAZEJ-LLVKDONJSA-N 358.804 3.859 0 40 FHAB NC(=O)NCCCCCC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 32739511 JDYDSGLGWWJKCU-IBGZPJMESA-N 373.884 3.774 0 40 FHAB O=C(Cc1ccccc1F)NC[C@H](c1ccccc1Cl)N1CCCC1 33028459 IQWAEBDSEMVJTN-LJQANCHMSA-N 360.860 3.975 0 40 FHAB O=C(O)CCCC(=O)Nc1cccc(Nc2ncnc3ccccc23)c1 41537237 BNVDULCVLISDSM-UHFFFAOYSA-N 350.378 3.567 0 40 FHAB O=C(Cc1cccc2ccccc12)NCCc1cc(F)cc2c1OCOC2 41670384 AFSRCMLCQJRPFT-UHFFFAOYSA-N 365.404 3.747 0 40 FHAB Cn1nnnc1-c1cccc(NC(=O)c2cc(C3CC3)nc3ccccc23)c1 22549448 UWCCQZXQLDRBJK-UHFFFAOYSA-N 370.416 3.555 0 40 FHAB CC(C)CNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 918382 RNUQENUHJOQDHY-GWCFXTLKSA-N 356.348 3.522 0 40 FHAB COc1ccc(-c2csc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)n2)cc1 1003146 HMYHUDKAKYRGNH-KBPBESRZSA-N 360.435 3.648 0 40 FHAB O=C(Nc1nc(-c2ccc(I)cc2)cs1)C1CC1 1518567 XLJKSYPPTMIQEP-UHFFFAOYSA-N 370.215 3.763 0 40 FHAB COc1ccc(NC(=O)CSCC(=O)Nc2cc(C)ccc2C)cc1 1980685 ZKWOXLHCCWASIC-UHFFFAOYSA-N 358.463 3.622 0 40 FHAB Cc1c(-c2ccccc2)[n+]([O-])c(-c2ccc(Br)cc2)c(C)[n+]1[O-] 2224485 GDBIZWCIODRNMX-UHFFFAOYSA-N 371.234 3.667 0 40 FHAB CCCCc1nc2sc3c(N4CCOCC4)ncnc3c2c2c1CCC2 2293628 FTIATYZSCDEEJX-UHFFFAOYSA-N 368.506 3.907 0 40 FHAB Cc1c(Cl)cccc1NC(=O)C(=O)NCCc1ccccc1Cl 3147947 RAXVVSYDLYFTMK-UHFFFAOYSA-N 351.233 3.599 0 40 FHAB COc1ccc(CC(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 3216412 TUUPLSOBKJLSBT-UHFFFAOYSA-N 368.216 3.726 0 40 FHAB O=C(CCCn1c(=O)oc2ccccc21)N[C@H]1CCCc2ccccc21 3359593 DIMFUGTUMXHRMT-KRWDZBQOSA-N 350.418 3.569 0 40 FHAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(F)cc1F 3384681 PNMSIKWGWQBZQT-UHFFFAOYSA-N 373.186 3.982 0 40 FHAB CCOc1ccc(C(=O)C[C@H](NCc2ccc(Cl)cc2)C(=O)O)cc1 4118355 GVOKZGXPOGZLJY-KRWDZBQOSA-N 361.825 3.555 0 40 FHAB CC(C)Oc1ccc(N2C[C@@H](C(=O)Nc3ccc(F)cc3F)CC2=O)cc1 4898432 ZXYPTHFRNPQJHB-ZDUSSCGKSA-N 374.387 3.744 0 40 FHAB COc1cccc(CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1OC 5938519 IETYKKJNPCFIMN-UHFFFAOYSA-N 371.458 3.678 0 40 FHAB O=C(Nc1cccc(C(F)(F)F)c1)c1c(O)c2cccc3c2n(c1=O)CC3 6057983 NNEYQQUPPZIBPI-UHFFFAOYSA-N 374.318 3.534 0 40 FHAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3cccc(C)c3C)n2)cc1 6141924 ZYCFWYIIHUSXFN-UHFFFAOYSA-N 368.462 3.828 0 40 FHAB Cc1cc(Cl)ccc1OCc1nc(SCC(=O)c2ccc[nH]2)n[nH]1 6589406 QGYKUERPUGNWLN-UHFFFAOYSA-N 362.842 3.649 0 40 FHAB CCCCOC(=O)CN1C(=O)S/C(=C/c2cn(C)c3ccccc23)C1=O 6629062 VIMCFWHKSDAHDQ-MHWRWJLKSA-N 372.446 3.558 0 40 FHAB O=C(Nc1nnc(C2CC2)s1)c1cc(C2CC2)nn1-c1ccccc1 6648130 LUDKWZUDZIRIAW-UHFFFAOYSA-N 351.435 3.731 0 40 FHAB Cc1ccc(OCCOc2cccc(/C=C3/SC(=N)NC3=O)c2)cc1C 6859409 PPDLZGLVJMEKTP-LDADJPATSA-N 368.458 3.900 0 40 FHAB CCc1ccc(-c2csc(NC(=O)CSc3nncs3)n2)cc1 7194599 KXQVGFUQWJPBGU-UHFFFAOYSA-N 362.505 3.955 0 40 FHAB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1ccccc1C(F)(F)F 7552508 TXNSCIAYEDDPHY-HNNXBMFYSA-N 368.355 3.771 0 40 FHAB O=C(Nc1ccc(F)cc1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 8007344 WKAJOVUGIVVADU-UHFFFAOYSA-N 365.408 3.904 0 40 FHAB CCOC(=O)N1CCC(Nc2ncnc3sc4c(c23)CCCCC4)CC1 8187871 QETDONAQJIFGFZ-UHFFFAOYSA-N 374.510 3.993 0 40 FHAB Cc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccco3)n2)c(C)c1 8752411 OGLAUSPFIWFCPP-UHFFFAOYSA-N 369.446 3.779 0 40 FHAB COc1ccc2nc(NS(=O)(=O)c3ccc(Cl)s3)sc2c1 8864756 LEQYALRLTWKGIY-UHFFFAOYSA-N 360.869 3.821 0 40 FHAB CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(Cl)cc3)cc21 8959323 UUBKKWSCXKUQTG-UHFFFAOYSA-N 358.825 3.974 0 40 FHAB O=C(Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2)C1CCCCC1 9036399 UZQZDXJTPIWRHH-UHFFFAOYSA-N 352.434 3.997 0 40 FHAB NC(=O)c1cccc(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)c1 9591310 YXVNLNCHLNHMDN-UHFFFAOYSA-N 350.349 3.969 0 40 FHAB COc1ccc(OCCNC(=O)Cc2c(C)nc3ccccc3c2C)cc1 9932061 KYUUJXNKKJDCKO-UHFFFAOYSA-N 364.445 3.598 0 40 FHAB COc1ccccc1C1(O)CCN(Cc2c[nH]nc2-c2cccs2)CC1 12116971 OXEZVQWGKBKYSZ-UHFFFAOYSA-N 369.490 3.630 0 40 FHAB CCN1CC[C@H](CCc2ccc(NC(=O)c3cnccn3)cc2)[C@@H](C)C1 12144906 HSZPDAJYRIMOHM-WMZOPIPTSA-N 352.482 3.639 0 40 FHAB COc1ccc(-c2n[nH]cc2CN[C@@H](C)c2ccc3c(c2)OCCO3)cc1 12530422 NNYNJEMJSURMOM-AWEZNQCLSA-N 365.433 3.707 0 40 FHAB O=C(O)COc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1c1ccccc1 12542121 XLUONPJNQGATDJ-OAQYLSRUSA-N 374.396 3.921 0 40 FHAB Cc1cccc(N2C(=O)/C(=C/Nc3ccc(O)cc3)c3ccccc3C2=O)n1 12648083 FUVJAMULRNAFAS-CPNJWEJPSA-N 371.396 3.736 0 40 FHAB COc1ccc(CN2CCN(c3nc4ccccc4s3)CC2)cc1F 12756271 FTIOXKBDUAVQRX-UHFFFAOYSA-N 357.454 3.766 0 40 FHAB CCOC(=O)c1ccsc1NC(=O)CN1CCCc2cc(C)ccc21 12822227 NQLOEYDNUJEVHI-UHFFFAOYSA-N 358.463 3.625 0 40 FHAB CCn1nnc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc21 12852783 VYVOAUHYBZXYFZ-UHFFFAOYSA-N 350.300 3.602 0 40 FHAB COc1cc(-c2nnsc2-c2nc3ccccc3[nH]2)cc(OC)c1OC 12906747 WVGINURDMHFFAL-UHFFFAOYSA-N 368.418 3.774 0 40 FHAB CC[C@H]1c2ccsc2CCN1C(=O)COc1ccc(C(C)=O)cc1OC 12908317 PBLNMVXBHQNZIS-INIZCTEOSA-N 373.474 3.874 0 40 FHAB COc1ccccc1/C=C/C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12930150 QNEQBJRQJKMKIP-KAUXGEHWSA-N 364.445 3.586 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 14085188 ATOWBBZNOKZYIH-LLVKDONJSA-N 362.813 3.713 0 40 FHAB CC(=O)NCc1ccc(-c2csc(NC(=O)/C=C/c3ccco3)n2)cc1 14136876 MRBIFTXUGURDCP-CMDGGOBGSA-N 367.430 3.691 0 40 FHAB CC1CCN(c2nc(Nc3cccc(Cl)c3)c3cnn(C)c3n2)CC1 17246102 ATRDZUZJIHNVNP-UHFFFAOYSA-N 356.861 3.997 0 40 FHAB COc1cccc2cc(C(=O)NCc3nnc(-c4ccccc4)o3)c(C)nc12 19715393 YAEPYADIWOKTOK-UHFFFAOYSA-N 374.400 3.532 0 40 FHAB O=C1NCCCC[C@@H]1Sc1ncc(-c2ccc(Br)cc2)[nH]1 22202381 HXYSBHQCUMAUFZ-ZDUSSCGKSA-N 366.284 3.600 0 40 FHAB CN(Cc1cccs1)C(=O)COC(=O)Cc1cccc2ccccc12 22820055 WTGJNQJTIFPAQU-UHFFFAOYSA-N 353.443 3.646 0 40 FHAB COc1ccc([C@H](CNCc2ccc(OC)cc2OC)N2CCCC2)cc1 22932977 LROZQAGIGPGDQB-NRFANRHFSA-N 370.493 3.639 0 40 FHAB Cc1ccc(-c2noc(CS(=O)(=O)c3ccc(Cl)s3)n2)cc1 23126413 YDMPDLAVZWBFNE-UHFFFAOYSA-N 354.840 3.734 0 40 FHAB CC(=O)N[C@@H](CC(=O)N1CCc2sccc2[C@@H]1C)c1ccc(C)cc1 24277384 ZGJKHULPURDODX-KSSFIOAISA-N 356.491 3.770 0 40 FHAB CCNC(=O)COc1ccc(C(=O)Nc2c(C)cc(C)cc2Cl)cc1 24609137 FKOMIWZUBVGIIJ-UHFFFAOYSA-N 360.841 3.724 0 40 FHAB Cc1ccccc1CCNC(=O)[C@@H](NC(=O)Nc1ccccc1)C(C)C 25506923 MVCMITSSFOVYDA-IBGZPJMESA-N 353.466 3.500 0 40 FHAB COc1cccc(-n2ccnc2SCC(=O)c2ccc3c(c2)OCO3)c1 26044886 XUKAHRYNHQLLCZ-UHFFFAOYSA-N 368.414 3.585 0 40 FHAB Cc1cccc(NC(=O)[C@H](C)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 27570378 HNEHWWHRIBAYFK-ZWKOTPCHSA-N 365.477 3.673 0 40 FHAB Cc1ccc(-c2cnc(CCC(=O)Nc3nnc4ccccn34)o2)cc1C 30711906 KKPGCCMWWHFSLK-UHFFFAOYSA-N 361.405 3.572 0 40 FHAB Cc1ccc(C(=O)NCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)s1 32343234 ICDRUNBDXMQVFW-LBPRGKRZSA-N 373.503 3.616 0 40 FHAB O=C(O)c1ccc(NS(=O)(=O)c2ccc(Cl)c3ccccc23)cc1 32601596 ZWYGWUPUQUVVGA-UHFFFAOYSA-N 361.806 3.992 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)cc1C 33026476 HYQVEDHQCCBMNL-KDOFPFPSSA-N 358.463 3.699 0 40 FHAB Cc1ccccc1OCCN(C)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 40001044 XLFJCKLEXJBBLJ-HXUWFJFHSA-N 369.461 3.704 0 40 FHAB CC[C@H](C)C(=O)OCc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 40040132 UAAAMBAGASTGAV-ZDUSSCGKSA-N 354.381 3.614 0 40 FHAB CCOc1ccc(-c2noc(CCC(=O)N3CCc4ccccc43)n2)cc1 40068186 KXNAPKKDTCPYKM-UHFFFAOYSA-N 363.417 3.657 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(c2ncccc2Cl)C1 40134914 VCWXTNQGTRXWQH-GOEBONIOSA-N 355.869 3.929 0 40 FHAB CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cnc(N2CCCC2)nc1 40156430 XEWMYASKKMXRJO-QGZVFWFLSA-N 371.872 3.707 0 40 FHAB Cc1cccc(C)c1OCCC(=O)NCc1cnn(Cc2ccccc2)c1 46701134 RNWVVEQSCYZUON-UHFFFAOYSA-N 363.461 3.634 0 40 FHAB Cc1c(C(=O)NCCc2c(F)cccc2F)oc2c1C(=O)CC(C)(C)C2 46730767 BQKMGGBQCZJUHV-UHFFFAOYSA-N 361.388 3.994 0 40 FHAB COc1cc([C@H](C)NC(=O)[C@@H]2CCCO2)ccc1OCc1ccccc1 48367404 ZVOTWDZTXSPSSR-KXBFYZLASA-N 355.434 3.630 0 40 FHAB CCc1ccc(-n2ccc(=O)c(-c3nc(-c4cccc(F)c4)no3)n2)cc1 49006364 ZQOINCVPTHEBKF-UHFFFAOYSA-N 362.364 3.651 0 40 FHAB CCSc1ccccc1NS(=O)(=O)c1cc(OC)ccc1OC 55648940 JGNHJSPEZIALJN-UHFFFAOYSA-N 353.465 3.617 0 40 FHAB O=C(CSc1ccc(Cl)cc1)Nc1ccccc1Cn1cncn1 55968649 ZBBJEYOHHPJYIM-UHFFFAOYSA-N 358.854 3.711 0 40 FHAB COC(=O)C1(NC(=O)CCCOc2ccc(Cl)cc2Cl)CCCC1 57994404 RVWLDCJJCLNQGI-UHFFFAOYSA-N 374.264 3.754 0 40 FHAB CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cc2ccccc2oc1=O 58182883 BAORGLPEELRFJL-UHFFFAOYSA-N 356.765 3.657 0 40 FHAB Cc1ccc(CN2C(=O)[C@@H](CC(=O)O)Oc3ccccc32)c2ccccc12 63871722 XXDUKVHXHLTYKK-HXUWFJFHSA-N 361.397 3.917 0 40 FHAB CN(Cc1ccccc1)Cc1cc(CC2(NC3CCCCC3)COC2)no1 67898107 CAANNSXEUZCLPL-UHFFFAOYSA-N 369.509 3.540 0 40 FHAB biogenic,in-vitro CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CNC(=O)/C=C/c1ccco1 71844270 NKHQGSYVIBJCNX-OKLSWEBGSA-N 366.461 3.594 0 40 FHAB O=C1NC[C@@]2(CCCN(Cc3c(F)cccc3Cl)C2)Oc2ccccc21 72328094 OMBFAIFFUWWBPL-HXUWFJFHSA-N 374.843 3.636 0 40 FHAB CC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccc(F)cc1)CCC2 72372948 VVGZLAHOUYANCW-IBGZPJMESA-N 368.456 3.560 0 40 FHAB O=C1CCCC[C@@H]1[C@@H]1CCCN1C(=O)c1cccc(Br)c1 75092877 AVFPXOKDDAHEEW-CABCVRRESA-N 350.256 3.813 0 40 FHAB O=C(NCc1ncoc1-c1ccccc1)c1ccn(-c2cccc(F)c2)n1 75108903 BVECKNSXEQDDSO-UHFFFAOYSA-N 362.364 3.596 0 40 FHAB CNC(=O)Cc1ccc(N[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1 78352119 XNHNXSBOMPLKLG-CYBMUJFWSA-N 368.412 3.646 0 40 FHAB O=C(OC[C@H]1CCCO1)c1ccc(Br)cc1C(F)(F)F 95989072 ZCDHCNSEKZTEJY-SECBINFHSA-N 353.134 3.804 0 40 FHAB O=C(CCCC1CCCCC1)Nc1cccc(C(=O)N2CCC(O)CC2)c1 97000474 RXHTYVAUAZBLKD-UHFFFAOYSA-N 372.509 3.973 0 40 FHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1ccc(Br)cc1 102167574 YGNAUPAAUPPCGE-TYNCELHUSA-N 368.271 3.547 0 40 FHAB O=C1CCc2ccccc2N1CC(=O)N1CCCCC[C@H]1c1ccncc1 110217514 OHEJMIAHEAWCOU-IBGZPJMESA-N 363.461 3.505 0 40 FHAB CSc1cccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1 151393138 PUKOWRRHMDLUBS-UHFFFAOYSA-N 354.475 3.899 0 40 FHAB Cc1cccc2c1N(C1CC1)CCN2C(=O)c1c(-c2ccccn2)noc1C 187325453 AHAYWZMAAULHDE-UHFFFAOYSA-N 374.444 3.983 0 40 FHAB COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)ccc1C 223797606 VGIYDCMUOKPVQG-UHFFFAOYSA-N 374.245 3.889 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1F 224740922 WEECGJCLQUDLSN-QGZVFWFLSA-N 370.468 3.620 0 40 FHAB COc1cc(C)c(S(=O)(=O)NCCc2ccc(F)cc2)cc1C(C)C 225127939 VRCJFBMTDPAZGL-UHFFFAOYSA-N 365.470 3.787 0 40 FHAB O=C(N[C@@H](c1cccnc1)C1CCOCC1)c1ccc(-n2cccc2)cc1 225620724 JJKZVUKINAQHTL-OAQYLSRUSA-N 361.445 3.770 0 40 FHAB Cc1cc(C)nc(Nc2cccc(C(=O)N3CCOc4ccccc43)c2)n1 225914588 FFKLMSBUVGVQHX-UHFFFAOYSA-N 360.417 3.876 0 40 FHAB Cc1ccccc1NC(=O)CCNC(=O)c1ccc2nc(Cl)oc2c1 225980211 JMEDCANZNMAHFE-UHFFFAOYSA-N 357.797 3.548 0 40 FHAB O=Cc1cc(Br)c(OCC(F)(F)F)c(Br)c1 236143482 HCPKUDJXFNZNQP-UHFFFAOYSA-N 361.939 3.965 0 40 FHAB O=C(c1ccc2cc[nH]c2c1)N1C[C@@H](c2ncon2)[C@H](c2ccccc2)C1 245070494 QMDSHDYLJDGHTF-ZWKOTPCHSA-N 358.401 3.574 0 40 FHAB CC(=O)N1[C@@H]2CN(C(=O)c3cc4ccccc4[nH]3)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257204323 ATZBPVSEMYZPEV-QRXQEZHUSA-N 365.477 3.562 0 40 FHAB CCCn1nc(C)c(C(=O)N2CCC(Cc3ccnc(C)c3)CC2)c1C 257218196 DCEZQMWECUHEHJ-UHFFFAOYSA-N 354.498 3.708 0 40 FHAB COCCn1ccnc1[C@H]1CN(Cc2ccsc2)Cc2ccccc21 306142719 XHJAEQKUVRQRFY-IBGZPJMESA-N 353.491 3.739 0 40 FHAB CN(C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)C1CCCC1 510024950 YJTDVMVRNNGUNA-INIZCTEOSA-N 367.287 3.817 0 40 FHAB O[C@H](COc1ccc(-n2ccnc2)cc1)Cc1ccc(C(F)(F)F)cc1 555564418 JHPRBZOFCVMBQK-KRWDZBQOSA-N 362.351 3.874 0 40 FHAB CCn1nnc2cc(C(=O)N3CC[C@@H](C(F)(F)F)C4(CCC4)C3)ccc21 585080080 WYUPHLRLSATBMK-OAHLLOKOSA-N 366.387 3.646 0 40 FHAB CCn1ccnc1C(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 585085540 QDLZUNHNJAEMSF-AWEZNQCLSA-N 370.453 3.973 0 40 FHAB COc1ccccc1Cc1cnc([C@H]2CCCN2c2cc(C)ncn2)o1 585178799 HUJMRFGCOSEKRI-QGZVFWFLSA-N 350.422 3.714 0 40 FHAB O=S(=O)(CCc1cccc(F)c1)N(Cc1ccc(F)cc1F)C1CC1 1208421796 UAZSHZZPHQLVFK-UHFFFAOYSA-N 369.408 3.641 0 40 FHAB CC[C@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@H](C)C2)C1 1613689026 YMJREVKPKUDQIW-CSODHUTKSA-N 373.545 3.577 0 40 FHAB COc1ccc(S(=O)(=O)NCc2cc(-c3ccoc3)cs2)cc1F 1775970061 ZIICDURUJNBYND-UHFFFAOYSA-N 367.423 3.634 0 40 FHAB Brc1ccc(CN2CC[C@@H]3CN(c4ccccn4)C[C@@H]32)s1 1888847521 PMLQVHFIOIIHHJ-OCCSQVGLSA-N 364.312 3.616 0 40 FHAB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ccncc1)c1nc3ccccc3nc12 1020375 BBUMZSQRIUFVPK-FCHUYYIVSA-N 358.445 3.993 0 40 FHAB CCOC(=O)CSc1ncc(OC)c(Sc2ccc(Cl)cc2)n1 1388519 IRQNEHIBXCPXQD-UHFFFAOYSA-N 370.883 3.945 0 40 FHAB O=S(=O)(NC[C@H](Nc1ccc(F)cc1)c1ccccc1)c1ccccc1 1428753 WXRYKYHGKUMGOB-FQEVSTJZSA-N 370.449 3.957 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccco2)n1C 2264211 STIPKRPRJBUGHO-UHFFFAOYSA-N 362.842 3.768 0 40 FHAB O=C(NC(=S)Nc1c(Cl)ccc2nsnc12)c1ccccc1F 2357474 FAPKMXAFLWZTQA-UHFFFAOYSA-N 366.830 3.611 0 40 FHAB O=c1/c(=C\c2cccc3ccccc23)sc2nc(-c3ccc(F)cc3)nn12 2382026 INUCUMARONRQKM-LDADJPATSA-N 373.412 3.658 0 40 FHAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1Cl 2617502 SAWHLMQSYLRJAS-GFCCVEGCSA-N 367.854 3.508 0 40 FHAB CCOC(=O)c1oc2ccccc2c1NC(=O)COc1cccc(C)c1 4162671 HDOZXGPRSIDMGF-UHFFFAOYSA-N 353.374 3.935 0 40 FHAB Cc1cc(C)cc(OCC(=O)N2N=C(CC(C)C)C[C@]2(O)C(F)(F)F)c1 4163528 HXASGRQPYOAXDE-KRWDZBQOSA-N 372.387 3.568 0 40 FHAB CC(C)(C)c1ccc(OCCn2c(S(=O)(=O)O)nc3ccccc32)cc1 4386080 BVZFVXSEQXXGCS-UHFFFAOYSA-N 374.462 3.660 0 40 FHAB COCCCn1c(SCC(=O)c2ccccc2)nnc1-c1ccco1 4861156 FGKSLFBZKHZTAS-UHFFFAOYSA-N 357.435 3.550 0 40 FHAB Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C)c(Cl)c1 4937509 NPRVXLSPXVNWHR-UHFFFAOYSA-N 373.865 3.626 0 40 FHAB O=C(CCn1c(=O)sc2ccccc21)Nc1ccc(F)c(Cl)c1 5015199 DINFGZDPNDRTDV-UHFFFAOYSA-N 350.802 3.884 0 40 FHAB O=C(OCC(=O)N1CCCCC1)c1ccccc1OCc1ccc(F)cc1 5020795 DNNOZJTUKJJDRQ-UHFFFAOYSA-N 371.408 3.574 0 40 FHAB c1ccc2cc(C3=Nn4c(nnc4-c4n[nH]c5c4CCC5)SC3)ccc2c1 5457238 DOXLCIWFPUITRM-UHFFFAOYSA-N 372.457 3.668 0 40 FHAB O=c1[nH]c(SCc2cccc3nsnc23)nc2ccc(Cl)cc12 5491146 YJLKAIDZMMSPNW-UHFFFAOYSA-N 360.851 3.874 0 40 FHAB O=C(Cc1ccccc1)NC(=S)Nc1ccc(CN2CCCCC2)cc1 6548465 ILWCZIHBPFBZLO-UHFFFAOYSA-N 367.518 3.728 0 40 FHAB COC(=O)c1cc(OC)c(OC)cc1NC(=S)Nc1ccc(C)cc1 6966282 GXEKMZKJVIJUKS-UHFFFAOYSA-N 360.435 3.608 0 40 FHAB CC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)c(C)c2)c1 7056240 WHLMVOKMDWAWCB-UHFFFAOYSA-N 368.252 3.761 0 40 FHAB O=C(Nc1ccccc1)C1CCN(C(=O)COc2cccc(Cl)c2)CC1 7073540 VIJKFEQYBIGONW-UHFFFAOYSA-N 372.852 3.596 0 40 FHAB Cn1c(SCC(=O)N2CCC[C@H]3CCCC[C@H]32)nnc1-c1ccccc1 7329699 CLZWLVZNASMJJJ-NVXWUHKLSA-N 370.522 3.755 0 40 FHAB Cc1nnc(SCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)n1C1CC1 7618031 NHWZDBUGNIQFCI-CYBMUJFWSA-N 370.522 3.770 0 40 FHAB O=C(NCc1cccs1)c1cc(-c2ccc(Br)cc2)[nH]n1 8117990 XSXJBSRNZFXOEU-UHFFFAOYSA-N 362.252 3.831 0 40 FHAB O=c1ccc2cc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)ccc2o1 8132571 GOHARCIECVKGJG-UHFFFAOYSA-N 370.213 3.901 0 40 FHAB CCn1cnn(CN2CCC[C@H](c3nc4ccccc4s3)C2)c1=S 8147128 KPOLKJJPSFLVJX-ZDUSSCGKSA-N 359.524 3.881 0 40 FHAB O=C(Cc1csc(-c2cccs2)n1)NC[C@@H]1COc2ccccc2C1 8326611 JGYJWOWPCPYADD-CYBMUJFWSA-N 370.499 3.782 0 40 FHAB Fc1ccc(OCc2nn3c(COc4ccc(F)cc4)nnc3s2)cc1 8393437 KCFYMSUYIMCCTJ-UHFFFAOYSA-N 374.372 3.622 0 40 FHAB Cc1cccc(NC(=O)COC(=O)CCC(=O)Nc2c(C)cccc2C)c1 8433706 MFLYZJKKIVCQCC-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB CCCCCn1c(O)c(C(=O)Nc2ncccc2C)c(=O)c2ccccc21 8625513 BRSWKZQHZSYCQT-UHFFFAOYSA-N 365.433 3.853 0 40 FHAB Cc1cc(NC(=O)[C@@H](OC(=O)c2ccccc2F)c2ccccc2)no1 8704458 TYFSUVSCSXOWED-KRWDZBQOSA-N 354.337 3.659 0 40 FHAB CCc1nnc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)s1 8734154 XCXTZGWMHMJVLT-UHFFFAOYSA-N 362.842 3.980 0 40 FHAB COc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 9062737 UPAOBEXWSQTBBR-INIZCTEOSA-N 370.468 3.924 0 40 FHAB Cc1nc(CSCCC(=O)NCCc2c[nH]c3ccccc23)cs1 9066175 YLPWTYKLRAGSOG-UHFFFAOYSA-N 359.520 3.915 0 40 FHAB CCCCOc1ccc(C(=O)NC[C@H]2CN(c3ccccc3)C(=O)O2)cc1 9067544 HUVSZKVLNJJLIJ-IBGZPJMESA-N 368.433 3.621 0 40 FHAB Cc1cc2ccccc2n1CC(=O)NCc1cccc(NC(=O)C2CC2)c1 9157906 CAYFSUQAAYBCFH-UHFFFAOYSA-N 361.445 3.615 0 40 FHAB CCCCCOC(=O)Cc1c(C)nc(SCc2ccccc2)[nH]c1=O 9374733 MADORLCVFDEGSX-UHFFFAOYSA-N 360.479 3.647 0 40 FHAB Cc1nc(C)c(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)s1 9690000 LUAMMHRHHGXUSO-UHFFFAOYSA-N 367.478 3.997 0 40 FHAB CCOC(=O)Cc1csc(NC(=O)c2cc(SC)ccc2Cl)n1 11169579 VQNYKAFLSOLUPM-UHFFFAOYSA-N 370.883 3.876 0 40 FHAB COc1ccc([C@@H]2CN(Cc3ccc(F)cc3)C[C@H]2c2cc[nH]n2)cc1 12128490 CGSBQWGGUSHRQJ-VQTJNVASSA-N 351.425 3.941 0 40 FHAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)Cc2c(C)n[nH]c2C)sc1C 12228205 PAZSGNDFUYHHNQ-MRXNPFEDSA-N 374.535 3.804 0 40 FHAB Cc1nc(C)c(C(=O)N2[C@H]3CC[C@H](C3)[C@@H]2COc2ccc(F)cc2)s1 12408100 YYWNUSJYMHKMSA-KMFMINBZSA-N 360.454 3.971 0 40 FHAB O=C(OCc1nnc(-c2cccs2)o1)c1ccc(-n2cccc2)cc1 12549383 KFHVKFHOGDPVMP-UHFFFAOYSA-N 351.387 3.946 0 40 FHAB Cc1ccc(C(=O)NCCc2cccs2)cc1NC(=O)c1ccco1 12569158 WQBDFDGFQBVBDZ-UHFFFAOYSA-N 354.431 3.874 0 40 FHAB Cc1csc2nc(CSc3nnc(-c4ccc(F)cc4)o3)cc(=O)n12 12680358 MSKUHQIQFUCXOK-UHFFFAOYSA-N 374.422 3.546 0 40 FHAB Cc1noc(-c2ccc(C(=O)Nc3ccc4c(c3)OC(F)(F)O4)cc2)n1 12748887 ABPAFCZEYPWXJA-UHFFFAOYSA-N 359.288 3.619 0 40 FHAB NC(=O)c1c(NC(=O)c2ccc(F)cc2Cl)sc2c1CCCC2 12854206 OKUVROLMPPYZRL-UHFFFAOYSA-N 352.818 3.771 0 40 FHAB COc1ccc([C@@H]2CCCN2CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 12918153 PSPBAPPKMZWSEN-YWZLYKJASA-N 356.441 3.849 0 40 FHAB O=C(Nc1nc2ccccc2nc1N1CCCC1)C1(c2ccccc2)CC1 12980920 ZWVRCZOFTRXLMU-UHFFFAOYSA-N 358.445 3.900 0 40 FHAB COc1ccc(Cc2n[nH]c(=S)n2NC(=O)Nc2ccc(C)cc2)cc1 13140383 RDQBADNBPMQCKE-UHFFFAOYSA-N 369.450 3.624 0 40 FHAB O=C(O)c1ccc(CNC(=O)c2cccc(OCc3ccccc3)c2)cc1 13166301 SAEZWBUDQGKFFY-UHFFFAOYSA-N 361.397 3.894 0 40 FHAB CCN(C(=O)COc1ccc(CC(=O)O)cc1)c1cccc2ccccc12 13420704 KCXDSJWPHIDFIL-UHFFFAOYSA-N 363.413 3.899 0 40 FHAB CC[C@H](C(=O)Nc1ccccc1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716079 PGCSPLZPASGLGQ-LJQANCHMSA-N 374.506 3.795 0 40 FHAB CC(C)c1ccc(/C=C(\C(=O)N2CCCCC2)n2ccccc2=O)cc1 13895469 YYRZXWRLLAUHHY-CAPFRKAQSA-N 350.462 3.982 0 40 FHAB Cc1cc(C(=O)CSc2nncn2C2CC2)c(C)n1Cc1ccco1 14116958 KKIKOGIMKNLYPW-UHFFFAOYSA-N 356.451 3.648 0 40 FHAB CCCC(=O)Nc1ccc(C(=O)COC(=O)CCOc2ccccc2)cc1 15355184 ZVLRGRNLMQOYQO-UHFFFAOYSA-N 369.417 3.620 0 40 FHAB COc1ccc(OC)c(C(=O)COC(=O)C2(c3ccccc3)CCC2)c1 16376989 QVWKCGRKYJLQRS-UHFFFAOYSA-N 354.402 3.552 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)[C@@]1(C)CC1(Br)Br 17073129 ZJYJCDRTXBZNPQ-IQJOONFLSA-N 353.098 3.577 0 40 FHAB O=C(c1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccsc2)cc(=O)[nH]1 19368793 SHRQHTLILUZOTN-QGZVFWFLSA-N 365.458 3.866 0 40 FHAB CCCC(=O)N1CCNC(=O)[C@H](Cc2ccccc2-c2ccc(C)cc2)C1 19501462 DXPSPONLNWLTBO-HXUWFJFHSA-N 364.489 3.579 0 40 FHAB C[C@@H](Sc1nnc(-c2ccco2)o1)C(=O)N1CCCc2ccccc21 20980022 KFQAHTUAONWMCY-GFCCVEGCSA-N 355.419 3.790 0 40 FHAB C[C@@H](NC(=O)CN1C(=O)CSc2ccccc21)c1cc2ccccc2o1 21933570 JIELDRLWGSRVKT-CYBMUJFWSA-N 366.442 3.749 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](CC)Oc2cccc(OC)c2)c1 22526677 YFXRRASEALFBSW-IBGZPJMESA-N 371.433 3.976 0 40 FHAB COc1ccc(NC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1 23233898 AOUQJNZCUMGOCS-UHFFFAOYSA-N 350.422 3.604 0 40 FHAB O=C(CCc1ncc(-c2ccccc2)o1)N1CCO[C@@H](c2ccccc2)C1 23898332 DHIVMUHQZOWZBG-HXUWFJFHSA-N 362.429 3.874 0 40 FHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc2c(s1)CCC2 24330225 BUEZVQGZWYFODA-CYBMUJFWSA-N 352.463 3.651 0 40 FHAB O=C(Cc1noc2ccccc12)Nc1cc2c(cc1Cl)OCCCO2 26985913 ZWDAAJYARHQHOI-UHFFFAOYSA-N 358.781 3.824 0 40 FHAB CCc1ccc(NC(=O)[C@H](C)N2CCN(c3cccc(C)c3)CC2)cc1 27382085 FIHDJOUKDNZAIK-SFHVURJKSA-N 351.494 3.707 0 40 FHAB COc1cc(Br)c(CCNC(=O)CCC(C)C)cc1OC 28089880 OVECPAGGTGLBSO-UHFFFAOYSA-N 358.276 3.561 0 40 FHAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)Cn1cc(Br)cn1 28237406 IRMLFZUCKGXKMT-VIFPVBQESA-N 356.651 3.882 0 40 FHAB COc1ccc(C)cc1[C@H](C)NS(=O)(=O)c1cccc2cc(C)cnc12 29344556 MXRJTIFWYCNQOX-HNNXBMFYSA-N 370.474 3.900 0 40 FHAB COc1ccc(SCC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 30858357 VZFUECQFORJWEL-CYBMUJFWSA-N 361.463 3.682 0 40 FHAB O=C(Nc1ccccc1N1CCCCCC1)c1ccc(-n2cncn2)cc1 31097633 SCCWRIRYAIRXRS-UHFFFAOYSA-N 361.449 3.900 0 40 FHAB CCC[C@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 40005254 MLGUWQPRVGKFGF-KXBFYZLASA-N 359.491 3.851 0 40 FHAB COC(=O)c1cccc(C(=O)N(Cc2c(C)noc2C)c2ccccc2)c1 40132205 AHFDVXULXNEWGY-UHFFFAOYSA-N 364.401 3.925 0 40 FHAB O=C(CC1(Cn2cnc3ccccc3c2=O)CCCCC1)NC1CCCC1 40267914 MGXLYJNGXNWMPC-UHFFFAOYSA-N 367.493 3.796 0 40 FHAB Cc1cc(C)c(OCC(=O)Nc2cccc(N3CCOC3=O)c2)c(C)c1 48252445 KYAFQNDXAVMWMA-UHFFFAOYSA-N 354.406 3.586 0 40 FHAB Cc1ccc(N2CCN(CC(=O)N[C@H]3C[C@@H](C)CC(C)(C)C3)C2=O)cc1 49026112 BFPSJNCJCFCBTH-SJORKVTESA-N 357.498 3.568 0 40 FHAB COc1cccc([C@@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)c1 49550326 WGTBOHNHHZOGFM-INIZCTEOSA-N 366.442 3.656 0 40 FHAB Cc1ccc2c(c1)N(C(=O)COC(=O)c1ccc(C(C)(C)C)cc1)CCO2 51356041 DDTDAZZSOHKCQO-UHFFFAOYSA-N 367.445 3.875 0 40 FHAB O=S(=O)(Cc1nc(-c2ccc(F)cc2)no1)[C@H]1CCCc2ccccc21 52436507 ILYLXRMWYRBKRO-KRWDZBQOSA-N 372.421 3.868 0 40 FHAB COc1cc(C(=O)Nc2ccc(NC(=O)c3cnoc3C)cc2)ccc1C 54269552 SNNVGLJYUALYOY-UHFFFAOYSA-N 365.389 3.805 0 40 FHAB Cc1cc(F)ccc1NC(=O)CSc1cc(N2CCCCC2)ncn1 57505537 BFXFQALLNUYVAO-UHFFFAOYSA-N 360.458 3.645 0 40 FHAB CCCCN1CCCC[C@H]1CNC(=O)Nc1cccc(-c2nnco2)c1 58167247 VDTQKKFUINYSQH-KRWDZBQOSA-N 357.458 3.513 0 40 FHAB Cc1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)ccc1Oc1cccnc1 58167315 JLKJKYKEPAKRQA-DLBZAZTESA-N 352.390 3.788 0 40 FHAB Cc1cc(NC(=O)c2oc3c(c2C)C(=O)CCC3)n(-c2ccccc2F)n1 58413131 WXERTNIUEVCNHL-UHFFFAOYSA-N 367.380 3.993 0 40 FHAB CC(C)(C)c1ncc(NC(=O)/C=C/c2c(Cl)nc3ccccn23)cn1 64328209 WUMHTUMFCGVREO-BQYQJAHWSA-N 355.829 3.727 0 40 FHAB Cc1ccc(F)c(NC(=S)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 65701583 CFOGSHAPFXYKDZ-LBPRGKRZSA-N 366.483 3.585 0 40 FHAB CC(C)c1ccc(S(=O)(=O)NC[C@H](O)c2cccc3ccccc23)cc1 70761537 PFNCVFWVIFMYNJ-NRFANRHFSA-N 369.486 3.975 0 40 FHAB COc1ccc2c(c1)c([C@@H]1CN(Cc3ccccc3)C[C@H]1N(C)C)cn2C 72395501 VMWOPEQPSFORLT-JTHBVZDNSA-N 363.505 3.717 0 40 FHAB CCCCOCCCNC(=O)C(C)(C)C(C)(C)NC(=O)OC(C)(C)C 75092479 AMZJWLUJGCGMFI-UHFFFAOYSA-N 358.523 3.639 0 40 FHAB O=C(NC[C@@H](O)c1cccs1)NC(c1ccccc1)c1ccccc1 75156134 PBRLWTKSRFZPGZ-QGZVFWFLSA-N 352.459 3.870 0 40 FHAB O=C(COc1ccccc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 75245274 ICEIHANVRUAMEG-RMKNXTFCSA-N 370.880 3.576 0 40 FHAB Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H](O)C3)s2)cc1Cl 76055676 ZWNBEKGNAWZMSW-CYBMUJFWSA-N 365.886 3.684 0 40 FHAB CC(C)Oc1ccc(NC(=O)NCc2cccc(N(C)C)n2)cc1Cl 89888062 VKKRFTZRJIFCGK-UHFFFAOYSA-N 362.861 3.910 0 40 FHAB CCCCOc1ccc(NC(=O)NC[C@H](O)c2ccc(N(C)C)cc2)cc1 90612026 GLABLIFFZRSRDG-FQEVSTJZSA-N 371.481 3.787 0 40 FHAB CSCC[C@H](CO)NC(=O)c1sc(-c2ccccc2Cl)nc1C 95471315 SFGLPTHFKJNENX-LLVKDONJSA-N 370.927 3.616 0 40 FHAB c1ccc(COC[C@@]23CCCO[C@@H]2CCN(Cc2cccs2)C3)nc1 96040222 IMVTZFCPCLNRMK-UXHICEINSA-N 358.507 3.731 0 40 FHAB Cc1ccc(CN2CCC3(CC2)CCN(C(=O)c2cscn2)CC3)o1 96047287 PCVRCOHXOKJAHZ-UHFFFAOYSA-N 359.495 3.563 0 40 FHAB COC1CCN(c2ccc(NC(=O)Cn3ccc4ccccc43)cc2)CC1 96104499 UARDHNUUAVQZPU-UHFFFAOYSA-N 363.461 3.895 0 40 FHAB CCN(C)C(=O)c1ccnn1-c1ccc2ccc(-c3cccc(OC)c3)cn12 96155288 UGALSALRLMWWDM-UHFFFAOYSA-N 374.444 3.893 0 40 FHAB C[C@@](Br)(C(=O)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O 96518586 LDRQXGLYNPFXLM-INIZCTEOSA-N 367.264 3.692 0 40 FHAB O=C(O)C1CCN(C(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)CC1 97017386 NUOOXESXSVPSEK-GJZGRUSLSA-N 370.474 3.669 0 40 FHAB CCc1nccn1[C@@H]1CCCN(C(=O)COc2cccc(C(C)C)c2)C1 109678375 WUAVXEZLLADFAC-GOSISDBHSA-N 355.482 3.811 0 40 FHAB C[C@@H]1C[C@H]2[C@@H]3CC4(CC4)[C@](C)(O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@]12O 118936568 IRWYKFPPOMXMCD-YYKNROCOSA-N 362.554 3.892 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1C 222935309 IZGJPMXEXFYGTP-INIZCTEOSA-N 372.896 3.744 0 40 FHAB CCc1cc(S(=O)(=O)N(C)Cc2ccccc2Cl)ccc1OC 223750785 CQGDDGVDKLHUSJ-UHFFFAOYSA-N 353.871 3.732 0 40 FHAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CC 224020260 QAIUILSPKRKDCW-HXUWFJFHSA-N 352.478 3.563 0 40 FHAB CC(C)n1c(=O)sc2cc(NS(=O)(=O)Cc3ccccc3)ccc21 225154112 XPOVLRGTQYKJJO-UHFFFAOYSA-N 362.476 3.586 0 40 FHAB Cc1ccc(SCCNC(=S)Nc2ccc(C(=O)N(C)C)cc2)cc1 225287221 FNVBMQDRYAMIHW-UHFFFAOYSA-N 373.547 3.776 0 40 FHAB CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1)c1ccccc1 225850887 ISSPBCPEKGUKQS-INIZCTEOSA-N 367.854 3.556 0 40 FHAB Clc1cccc(Nc2ncnc3c2cnn3C2CCNCC2)c1Cl 228930613 GQVHAJGGQIHFLP-UHFFFAOYSA-N 363.252 3.801 0 40 FHAB Cn1ccc2cc([C@@H](O)CNC(=O)Cc3cccc4ccccc34)ccc21 252489852 KCJCHURRIQVQPF-QFIPXVFZSA-N 358.441 3.724 0 40 FHAB Cc1ncc(C(=O)N2CCC[C@@H](Cc3ccc4ncccc4c3)CC2)cn1 257202250 ALAZEXSLCUTTHR-QGZVFWFLSA-N 360.461 3.818 0 40 FHAB CC1(C)Oc2ccccc2[C@H]2OCC3(C[C@@H]21)CN(Cc1ccccn1)C3 257226887 FMPQPMLRKGIBEA-AZUAARDMSA-N 350.462 3.832 0 40 FHAB O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2CN(Cc3cccs3)C[C@@H]21 306135289 OMNOJRDGMGDTEL-APWZRJJASA-N 371.483 3.763 0 40 FHAB C[C@H](c1ccccc1)N(C1CC1)S(=O)(=O)CCc1ccc2c(c1)CCO2 510454053 HAZBOCUGVKZBAS-MRXNPFEDSA-N 371.502 3.719 0 40 FHAB CCCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 514471845 CMBXRJWRWWYCAB-YRBFXIGRSA-N 364.511 3.528 0 40 FHAB C[C@H](NC(=O)NCc1noc2c1CCCC2)c1cc2cccc(F)c2o1 516886018 JKKJUPGHRCSZOU-NSHDSACASA-N 357.385 3.999 0 40 FHAB CSCC[C@@H](NC(=O)Cn1c(C)ccc1C)c1nc2ccccc2n1C 526052541 MNWRYPYLSKEMAR-QGZVFWFLSA-N 370.522 3.602 0 40 FHAB Cc1ccc2c(c1Br)CN(C(=O)NCC[C@@H]1CCCOC1)C2 528097062 JVGQXZTUWXHBLB-ZDUSSCGKSA-N 367.287 3.599 0 40 FHAB CCc1nc(-c2ccccc2NC(=O)[C@H](C)Oc2ccccc2F)n[nH]1 535952529 BCPFCLHPHDVGRT-LBPRGKRZSA-N 354.385 3.579 0 40 FHAB COc1ccc2oc(C(=O)N3CCC[C@H](Oc4ccncc4)C3)cc2c1 575614274 YDXUOTKBFOMRCK-KRWDZBQOSA-N 352.390 3.520 0 40 FHAB Cc1cc(C)cc(C(=O)N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)c1 585102210 PPGPIIYVSQGCLN-UHFFFAOYSA-N 354.494 3.558 0 40 FHAB CCc1ccc(CN2CCc3oc(C(=O)N4CCC[C@@H](C)C4)nc3C2)cc1 585113102 ZTIWYHGMWXFCLN-MRXNPFEDSA-N 367.493 3.667 0 40 FHAB COC(=O)[C@@H]1CN(C(=O)C2(c3cccc(Cl)c3)CC2)Cc2ccccc21 600746497 HSMUOBAEEISSJZ-GOSISDBHSA-N 369.848 3.671 0 40 FHAB Cc1noc(C)c1C[C@H](C)NC(=O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 606305111 PFPKTIIWZHLRLZ-AGGDQXJMSA-N 350.503 3.816 0 40 FHAB CCOc1ccccc1CCC(=O)N1CCOC[C@@H]1c1cccc(F)c1 618774951 PYXCUXSCNCADET-LJQANCHMSA-N 357.425 3.757 0 40 FHAB O=C(O)[C@H](c1ccccc1F)N1CCC[C@@H](c2nc3ccccc3o2)C1 652386734 GYPWCBHLSLPEQR-ACJLOTCBSA-N 354.381 3.972 0 40 FHAB CCCc1ccc(-c2ccc(NC(=O)[C@H]3CC[C@H](C(=O)O)NC3)cc2)cc1 657221932 ZUZWBMRHFRFKHS-AZUAARDMSA-N 366.461 3.697 0 40 FHAB COc1ccc2c(c1)OC[C@@H](NC(=O)N1CCC[C@@H]1c1ccsc1)C2 678116631 IPNIQYWLJZSXJF-DOTOQJQBSA-N 358.463 3.607 0 40 FHAB CCOC(=O)c1cnc2c(Br)cc(Br)cc2c1 1857793858 KIRLFVUNEXARLJ-UHFFFAOYSA-N 359.017 3.937 0 40 FHAB COc1ccccc1O[C@H](C)c1nc2c3ccccc3nc(S)n2n1 1888959384 GOACANVLEFNGKN-LLVKDONJSA-N 352.419 3.715 0 40 FHAB CCCc1nc2ccccc2n1C[C@@H](O)COc1ccccc1C(C)=O 810216 RRHHCMSOCQTKLJ-MRXNPFEDSA-N 352.434 3.631 0 40 FHAB C[C@H]1CCC[C@H](C)N1C(=O)[C@@H](C)Sc1nnc2c(n1)[nH]c1ccccc12 1326038 PZEKONNQSHIONF-RWMBFGLXSA-N 369.494 3.776 0 40 FHAB CCSc1nc(NC[C@H](C)O)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2423647 DPRIGHLKISTUNH-BTDLBPIBSA-N 367.540 3.837 0 40 FHAB Cc1nc(SCC(=O)Nc2ccccc2Br)nc(C)c1C 2621292 CGNPHOQFFJNDAW-UHFFFAOYSA-N 366.284 3.895 0 40 FHAB Cc1c(Br)c(C(F)F)nn1[C@@H](C)C(=O)Nc1nccs1 2781088 KEAKOSSCLCHOJQ-LURJTMIESA-N 365.203 3.548 0 40 FHAB Cc1nn(C[C@@H](C)C(=O)Nc2cccc(F)c2)c(C)c1Br 2795279 PQZPLTQQEJADFB-SECBINFHSA-N 354.223 3.676 0 40 FHAB C[C@@H](NC(=O)COC(=O)CCCc1c[nH]c2ccccc12)c1ccccc1 3234774 UKSQLFYNXLNWQQ-MRXNPFEDSA-N 364.445 3.911 0 40 FHAB Cc1cc2oc(=O)cc(CN3C(=O)N[C@](C)(CCC(C)C)C3=O)c2cc1C 3314609 VHGGDONXJSTPIO-OAQYLSRUSA-N 370.449 3.657 0 40 FHAB CSc1nc2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2s1 3369373 IEWRUXCCTFHHPF-CQSZACIVSA-N 358.444 3.797 0 40 FHAB CCCNC(=O)COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 3546066 OPDRZYBNYORTBJ-UHFFFAOYSA-N 355.312 3.648 0 40 FHAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3)o2)cc1 3764754 WYGQHWFLXULTCB-UHFFFAOYSA-N 369.446 3.942 0 40 FHAB COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cccs1 4033166 YPFJNCWRVFMSTO-UHFFFAOYSA-N 350.403 3.719 0 40 FHAB O=C(Cc1ccc(F)cc1)NC[C@H](c1ccco1)N1CCc2ccccc21 4305043 BLSGSKPIKDUZED-HXUWFJFHSA-N 364.420 3.881 0 40 FHAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2Cl)n2ncnc2N1 4342118 XPXIFTJVKLLKDH-AWEZNQCLSA-N 367.236 3.825 0 40 FHAB CCCNC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 4827450 RDVQTQFYDHGNSF-UHFFFAOYSA-N 354.431 3.646 0 40 FHAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 4988595 HXQNGZZDBVIKLU-JXFKEZNVSA-N 368.429 3.981 0 40 FHAB COCCn1cc(NC(=O)Nc2ccc(OC)cc2OC)c2ccccc21 5266535 ANDBBPXYYCZMLL-UHFFFAOYSA-N 369.421 3.949 0 40 FHAB Cc1csc(NC(=O)CSc2ccc(-c3ccccc3C)nn2)n1 5411745 IDOJSEILZXDIIR-UHFFFAOYSA-N 356.476 3.948 0 40 FHAB Cc1ccccc1-c1nnc(SCC(=O)N[C@H]2CCCC[C@@H]2C)n1C 5859569 JCHOCQIUIBFZRH-HOCLYGCPSA-N 358.511 3.578 0 40 FHAB CSc1nnc(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)s1 5872434 HLGQTQIKQSJLPJ-RKDXNWHRSA-N 357.501 3.757 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1 6323140 QCBHFJPWBBDEJV-UHFFFAOYSA-N 360.841 3.887 0 40 FHAB CC(=O)c1ccc(Nc2c(Cc3ccccc3)c(C)nc3ncnn23)cc1 6661552 HLHADSIWQWVNBK-UHFFFAOYSA-N 357.417 3.970 0 40 FHAB CCc1ccccc1NC(=O)CNC(=O)c1oc2ccc(F)cc2c1C 6882387 OLSIRFOZCXVVBH-UHFFFAOYSA-N 354.381 3.811 0 40 FHAB CCOc1ccc(C[C@H]2SC(=O)N(CC(C)C)C2=O)cc1OCC 6964422 ZMBKEVZTDVKBBY-MRXNPFEDSA-N 351.468 3.747 0 40 FHAB O=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(Oc2ccccc2)cc1 7025533 CVCHUWICOQIXJL-UHFFFAOYSA-N 371.396 3.828 0 40 FHAB CNc1nnc(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)s1 7102693 WZPSIYDSHMJKDL-SNVBAGLBSA-N 366.537 3.589 0 40 FHAB C[C@@H]1CCc2sc(-c3nnc(SCC(=O)NC(C)(C)C)o3)cc2C1 7129751 IVUIPGBWAOUVRG-SNVBAGLBSA-N 365.524 3.930 0 40 FHAB COc1cccc(OC)c1C(=O)Nc1nnc(-c2ccccc2C)s1 7319365 PHPGGOXLBYLAPW-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB CCCc1nnc(S/C(=C\c2cc(Cl)ccc2OC)C(=O)O)[nH]1 7342325 KTINESXLVLJTFU-WQLSENKSSA-N 353.831 3.637 0 40 FHAB Cc1ccc(CN(C)C(=O)CSc2ccc3c(c2)OCCO3)c(C)c1 7832774 MGNNEOPHYJORNH-UHFFFAOYSA-N 357.475 3.825 0 40 FHAB O=C1COc2ccc(-c3csc(NCc4ccc(F)cc4)n3)cc2N1 8298713 LONRVIFCHMWSJL-UHFFFAOYSA-N 355.394 3.892 0 40 FHAB CC[C@H](CO)NCc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 8327041 MBXWMTFETJIBKG-OAHLLOKOSA-N 367.848 3.927 0 40 FHAB CCOc1cc(CNn2c(CC)n[nH]c2=S)cc(Cl)c1OCC 8339040 WWMBBEKMXLQKQP-UHFFFAOYSA-N 356.879 3.698 0 40 FHAB O=Cc1cc(Br)cc(Br)c1OCc1ccccn1 8702284 WJNBIYYEKVJCEP-UHFFFAOYSA-N 371.028 3.998 0 40 FHAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)c3ccccc3)n2C)cc1 9386900 LJPPJXCNGAZIEH-ZDUSSCGKSA-N 353.447 3.854 0 40 FHAB Cc1nc(C)c(C(=O)Nc2nc(-c3ccc4c(c3)CC(=O)N4)cs2)s1 9476947 QLDWGUBBYSGKMM-UHFFFAOYSA-N 370.459 3.630 0 40 FHAB CCc1ccc2c(COC(=O)c3cccc(NC(C)=O)c3)cc(=O)oc2c1 9549346 FZKPEQKRNRIAIN-UHFFFAOYSA-N 365.385 3.671 0 40 FHAB Cc1ccccc1Nc1nc(C(=O)N(C)CCc2ccccn2)cs1 9846092 UNZLZUJWCXRAAZ-UHFFFAOYSA-N 352.463 3.905 0 40 FHAB COc1ccccc1[C@@H]1CC(=O)c2c(C)nn(-c3nc(C)cc(C)n3)c2C1 10157196 RRZHIQOZLQLJHL-HNNXBMFYSA-N 362.433 3.509 0 40 FHAB CC1(C)CC(=O)c2c(nc(NC[C@H]3CCCO3)nc2Nc2ccccc2)C1 10339435 FCSGGAIIXMJFHC-OAHLLOKOSA-N 366.465 3.966 0 40 FHAB COCCOC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C 10957507 OCXXQRVKNYNZGM-UHFFFAOYSA-N 357.410 3.692 0 40 FHAB Cc1ccc(NCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c(Cl)c1 11154139 NASLGXJYOATRCY-ZDUSSCGKSA-N 357.841 3.824 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2[C@H](C)Nc3ncnn3[C@H]2c2cccs2)c(C)c1 11694938 AVSIXKSRHTWGDQ-XKQJLSEDSA-N 367.478 3.615 0 40 FHAB O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1)c1cc(C2CC2)on1 12145638 JHJURRAORQEERF-MRXNPFEDSA-N 366.396 3.684 0 40 FHAB Cc1cc2nc([C@H]3CCCCN3C(=O)c3cn(C)nc3C)[nH]c2cc1C 12157770 NXSHUEBVHKOVLD-GOSISDBHSA-N 351.454 3.589 0 40 FHAB COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)c2cccnc2)cc1OC 12162487 HCGPWYBTIKQQKW-USNOLKROSA-N 366.461 3.801 0 40 FHAB C/C(=C\c1ccccc1)CN1CC[C@@H](c2cc3nc(C)c(C)c(O)n3n2)C1 12255316 ZLOYVLVSFTVJIM-FERCGXDMSA-N 362.477 3.945 0 40 FHAB O=C(CCNC(=O)c1ccccc1Cl)Nc1ccccc1N1CCCC1 12521658 OGJQARAKPWBIDU-UHFFFAOYSA-N 371.868 3.699 0 40 FHAB CCN(CC)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1 12550052 NHYSDXFVNOEROG-QGZVFWFLSA-N 355.413 3.736 0 40 FHAB O=C(NC1CC1)c1cccc(NC(=O)c2sccc2-n2cccc2)c1 12762968 OHOQOHGGNHBTDU-UHFFFAOYSA-N 351.431 3.683 0 40 FHAB C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccc(F)cc1F 12884988 DZWUAJMWTHIWHZ-VIFPVBQESA-N 350.390 3.866 0 40 FHAB COc1ccc(NC(=O)[C@@H](C)Sc2ccccc2C(=O)O)cc1OC 12978308 BWYJWJPHDPAGSZ-LLVKDONJSA-N 361.419 3.521 0 40 FHAB O=C(COc1ccc2ccccc2c1)NC1CCN(Cc2ccccc2)CC1 13003768 BHXHPWTXTZUJNB-UHFFFAOYSA-N 374.484 3.999 0 40 FHAB COc1cccc([C@@H]2C[C@@H](c3ccccc3Cl)n3nc(N)nc3N2)c1 13127473 HABVYQVBAGMWHH-HOTGVXAUSA-N 355.829 3.669 0 40 FHAB COc1ccc([C@@H]2C[C@@H](c3cccc(Cl)c3)n3nc(N)nc3N2)cc1 13132257 AZJUETRGZAYPMI-HOTGVXAUSA-N 355.829 3.669 0 40 FHAB COc1ccccc1N1C(=O)/C(=C/Nc2ccccn2)c2ccccc2C1=O 13165742 NGWPFIFEJDURHG-SAPNQHFASA-N 371.396 3.730 0 40 FHAB CC(=O)c1ccc(OCc2nnc(-c3ccc(Br)o3)o2)cc1 14023251 LNSXFBDJNKOFML-UHFFFAOYSA-N 363.167 3.874 0 40 FHAB C[C@H]1CCCC[C@H]1n1c(-c2cccnc2)nn(CN2CCOCC2)c1=S 14135743 GMZODQTWYRYFLA-DOTOQJQBSA-N 373.526 3.517 0 40 FHAB COc1ccc(CNc2nnc(SCC(=O)C(C)(C)C)s2)cc1 14160972 GYFNYROHRMTBES-UHFFFAOYSA-N 351.497 3.866 0 40 FHAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1(C)C 14188320 KPTNPZSDRGMSIP-LPHOPBHVSA-N 367.493 3.732 0 40 FHAB Nc1c(Cl)cc(Nc2ccc3nnc(C(F)(F)F)n3n2)cc1Cl 14260935 RRIBKXLDSVMRNB-UHFFFAOYSA-N 363.130 3.776 0 40 FHAB O=C(COc1ccc2oc3ccccc3c2c1)Nc1ccc2[nH]c(=O)[nH]c2c1 15515070 DSTKMVPUPGWMMC-UHFFFAOYSA-N 373.368 3.773 0 40 FHAB COc1ccc(CCNC(=S)Nc2ccc(OC)c(Cl)c2)cc1 16182789 RNRGIERKRNTSNT-UHFFFAOYSA-N 350.871 3.886 0 40 FHAB O=C(OCc1cc(-c2ccccc2F)on1)c1cc2ccccc2oc1=O 16838667 JSQWSDGZEIGXCO-UHFFFAOYSA-N 365.316 3.944 0 40 FHAB CC(=O)Nc1ccc(CN2C[C@@H]3[C@@H](CC[C@@]3(O)c3ccc(F)cc3)C2)cc1 19022421 BEHBBQOBFMKGLB-MTNREXPMSA-N 368.452 3.514 0 40 FHAB O=C(COc1ccccc1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 19373442 PQEKWVLWHNNBBM-AWEZNQCLSA-N 369.446 3.583 0 40 FHAB Cc1c(C(=O)Nc2ccccc2F)nnn1-c1ccc(OC(F)F)cc1 19911202 ACGUMYVAJYPUAA-UHFFFAOYSA-N 362.311 3.569 0 40 FHAB CC(=O)c1ccc(NC(=O)CSc2nc(-c3cccc(C)c3)n[nH]2)cc1 19927552 AMRLYOBZOCIUAW-UHFFFAOYSA-N 366.446 3.714 0 40 FHAB Cc1nccn1-c1ccc(CNC(=O)[C@H](C)Oc2ccccc2Cl)cc1 20459612 WKWWXTABBJAABH-AWEZNQCLSA-N 369.852 3.918 0 40 FHAB Nc1cc(Br)ccc1NC(=O)COc1ccc(Cl)cc1 20520882 TZICDKALJCDTAY-UHFFFAOYSA-N 355.619 3.702 0 40 FHAB C[C@H]1CC(=O)c2cn3nc(SCc4cccc(Cl)c4)nc3nc2C1 20632353 KMSXLNFMHBTTCT-SNVBAGLBSA-N 358.854 3.835 0 40 FHAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)Cc1cccs1 21350207 SDSSSMWYMWUAQX-UHFFFAOYSA-N 350.871 3.740 0 40 FHAB CN(Cc1cccc(Cl)c1)C(=O)CC[C@@H]1Cc2ccccc2NC1=O 22316178 PABHEMRENJLXEQ-MRXNPFEDSA-N 356.853 3.890 0 40 FHAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(OC)cc2)cc1 22519887 CYXQMUHVLDTMGP-LJQANCHMSA-N 363.479 3.770 0 40 FHAB Cc1c(C(=O)NCc2ccccn2)cnn1-c1cccc(C(F)(F)F)c1 22990740 DDMLCJQDRNHQFP-UHFFFAOYSA-N 360.339 3.525 0 40 FHAB COc1ccc(CCC(=O)NCc2ccccc2CN2CCCC2)cc1 24189387 SJCBNGQHLMETAM-UHFFFAOYSA-N 352.478 3.540 0 40 FHAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1ccccc1-c1ccccc1 24467106 HNPANHQVOOQTKV-UHFFFAOYSA-N 374.440 3.981 0 40 FHAB COC(=O)COc1cccc(NC(=O)c2oc3ccc(F)cc3c2C)c1 24951120 CHWDDFVGDGYKFS-UHFFFAOYSA-N 357.337 3.684 0 40 FHAB CC1=C[C@@H]2NN=C(SCc3cn4ccsc4n3)N2c2ccccc21 26465851 QCVCHAQOYCLCSQ-OAHLLOKOSA-N 353.476 3.753 0 40 FHAB COc1ccc(C(C)=O)c(O[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1 28632404 YVEWAMLBQICNRA-ZFWWWQNUSA-N 353.418 3.643 0 40 FHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)/C=C/c1ccc(C)cc1 31347997 SUEJESRVIGEHJW-VAWYXSNFSA-N 358.388 3.774 0 40 FHAB COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(Cl)cc2)nn1 32088510 GRZYQXABRHBPRK-CYBMUJFWSA-N 369.812 3.756 0 40 FHAB O=c1ccc2cc(S(=O)(=O)Oc3ccc(Cl)cc3Cl)ccc2o1 32755053 CHIUIJFCYGTVFR-UHFFFAOYSA-N 371.197 3.868 0 40 FHAB CCOC(=O)c1c(NC(=O)Cc2ccc(C(C)=O)cc2)sc(C)c1C 32915763 XFFDNDFENITJLT-UHFFFAOYSA-N 359.447 3.925 0 40 FHAB COc1cc(CN2CCN(c3cccc(C)c3)CC2)ccc1OC(F)F 40017921 XTUMJYGHNBINJS-UHFFFAOYSA-N 362.420 3.927 0 40 FHAB CCCC[C@@H](CC)C(=O)N1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21 40386270 FYFWJYOQJDVQPI-QAPCUYQASA-N 356.466 3.771 0 40 FHAB COCCn1c(SCCOc2ccccc2)nnc1-c1ccccc1 41294299 ZBBGYHNIXVSXSH-UHFFFAOYSA-N 355.463 3.763 0 40 FHAB O=C(N[C@H](C(=O)O)C(F)(F)F)OCC1c2ccccc2-c2ccccc21 44136339 GSEIXNCKLHONCZ-OAHLLOKOSA-N 365.307 3.541 0 40 FHAB in-vitro C[C@@H](NC(=O)c1csc(-c2ccsc2)n1)c1ccc2c(c1)CC(=O)N2 46224618 VPVBYNWQQNCBFG-SNVBAGLBSA-N 369.471 3.857 0 40 FHAB O=C([C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21)N1CCCCCC1 46463409 RXVWUOJWKKHSHR-OALUTQOASA-N 354.494 3.785 0 40 FHAB C[C@H]1CN(Cc2ccccc2CNC(=O)c2ccccc2Cl)C[C@H](C)O1 48345453 IKOAIRPEYLYASV-HOTGVXAUSA-N 372.896 3.879 0 40 FHAB CCc1ccc2oc(=O)cc(CN3CCN(c4ccc(F)cc4)CC3)c2c1 54105906 YYGHISZHOVFORD-UHFFFAOYSA-N 366.436 3.817 0 40 FHAB Cc1ccc(NC(=O)C2CC2)cc1NCC(=O)N[C@@H](C)c1ccc(F)cc1 55849236 RIBVQOPQJHBQTA-AWEZNQCLSA-N 369.440 3.772 0 40 FHAB COCc1ccccc1CNC(=O)[C@@H](C(C)C)N1CCc2ccccc2C1 58129712 JQEOOLUBCOJLJK-JOCHJYFZSA-N 366.505 3.532 0 40 FHAB O=C(NCCC(=O)N1CCCCCC1)c1ccc2[nH]c3c(c2c1)CCCC3 58152659 JSAFALPNQABRJO-UHFFFAOYSA-N 367.493 3.569 0 40 FHAB C[C@@H](OC[C@H]1CCCO1)C(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 58381708 SBXYPNPRCOQFAX-RHSMWYFYSA-N 372.440 3.507 0 40 FHAB C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1n[nH]c2ccccc12 60012647 JHYHSAJWIBXBJN-NSHDSACASA-N 363.339 3.779 0 40 FHAB C[C@H](CNC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1)c1ccccc1 65608376 FDFCFDQJFNLJLP-CHWSQXEVSA-N 372.519 3.776 0 40 FHAB Cc1ccc(C(C)C)c(OCC(=O)NCc2nc(-c3cccs3)no2)c1 65778686 VMMCKMFVCFDTRN-UHFFFAOYSA-N 371.462 3.925 0 40 FHAB CC(C)c1ccc(-c2noc(CN(C)S(=O)(=O)c3ccccc3)n2)cc1 67768060 MEQOXGOQOOYLAI-UHFFFAOYSA-N 371.462 3.681 0 40 FHAB Cn1cccc1C(=O)N1CCCC[C@@H]1CCOC(=O)/C=C/c1cccs1 69421247 IEAQIPYPCVRHIL-ZNFPLGDCSA-N 372.490 3.728 0 40 FHAB S=C(Nc1cccc(CN2CCCC2)c1)Nc1ccc2c(c1)OCO2 71761445 KSFKGAFCNFMBEX-UHFFFAOYSA-N 355.463 3.820 0 40 FHAB CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)CCc1ccccc1 71980464 BWOXITUZCGLNSO-WUZYXKQASA-N 373.493 3.864 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)NCCc2ccccc2Cl)c1 72044080 PHHOHKHJZKDYKC-CYBMUJFWSA-N 362.857 3.960 0 40 FHAB COC(=O)c1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc2[nH]cc(C=O)c12 72221373 LEPFDIFSZLPNTL-CVEARBPZSA-N 362.385 3.509 0 40 FHAB Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN2C(=O)C2CCCC2)n1 72354819 XRAAIEUZWFNRGD-QGZVFWFLSA-N 354.429 3.719 0 40 FHAB Cc1ccc2c(CC(=O)NCCC(=O)Nc3ccccc3)coc2c1C 72427621 RJJNJPGTWYGYJD-UHFFFAOYSA-N 350.418 3.737 0 40 FHAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](c2nnc(C(F)(F)F)o2)C1 75165204 QXFGIKKPYQQVGY-LLVKDONJSA-N 364.327 3.590 0 40 FHAB O=C(NCc1ccccc1Cl)C(=O)Nc1cc(Cl)cc(Cl)c1 78268467 WFTFMTZICMWJQG-UHFFFAOYSA-N 357.624 3.902 0 40 FHAB CN(C)c1nc2ccc(NC(=O)NCCCOC3CCCCC3)cc2o1 83855456 JCRPJBOLJFUVKY-UHFFFAOYSA-N 360.458 3.755 0 40 FHAB CC1CCN(C(=O)[C@@H]2CCCN(C(=S)N[C@H](C)c3ccccc3)C2)CC1 84697934 DOYFYLMVGBORBD-IEBWSBKVSA-N 373.566 3.593 0 40 FHAB O=C(/C=C/c1ccccc1)NCc1nn(C2CCCC2)c(=O)c2ccccc12 90504286 UYJINWHJERUJNZ-CCEZHUSRSA-N 373.456 3.841 0 40 FHAB O=C(Nc1cnn([C@@H]2CCOC2)c1)C1(c2ccc(Cl)cc2)CCCC1 96123092 AJVQONRQAIXHHC-QGZVFWFLSA-N 359.857 3.948 0 40 FHAB CO[C@@](C)(CNC(=O)c1ccccc1Br)c1ccccc1F 96123506 NBWUVFVFNKWACD-KRWDZBQOSA-N 366.230 3.880 0 40 FHAB C[C@H]1c2ncc(COCc3ccccn3)n2CCN1Cc1ccsc1 96206032 WCWASHVZVVUWMA-HNNXBMFYSA-N 354.479 3.633 0 40 FHAB O=C(CC1CC1)N1CC[C@H](Oc2cccnc2)[C@@H](Cc2ccccc2)C1 96206311 LPEXCDJKBOKQJV-FPOVZHCZSA-N 350.462 3.720 0 40 FHAB COc1ccc(CCC(=O)NCc2nc3ccccc3n2C(C)C)cc1 96232787 CZBXYNQFXKEBBW-UHFFFAOYSA-N 351.450 3.875 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 96344876 LDSTUERQORWFEH-GFCCVEGCSA-N 368.824 3.516 0 40 FHAB O=C(NCc1cccc2ccccc12)c1ccc(CN2CCCC2=O)cc1 123247444 QBDPHPUMXDYRLU-UHFFFAOYSA-N 358.441 3.892 0 40 FHAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 225185958 MIBUXURGGNMEHS-KRWDZBQOSA-N 353.462 3.836 0 40 FHAB Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc3c(c1)OCCO3)CC(C)(C)O2 225402843 YRDOSBXXLXUOBW-INIZCTEOSA-N 353.418 3.798 0 40 FHAB COc1ccc(CC(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1C 225481385 CTTLWIXOSNDYHC-UHFFFAOYSA-N 357.450 3.658 0 40 FHAB O=C(Cc1c(F)cccc1Cl)NC[C@@H](c1ccsc1)N1CCC1 225594040 IGXUFTSORDMQHW-INIZCTEOSA-N 352.862 3.646 0 40 FHAB COc1cccc(-c2noc(CNC(=O)c3cc(C)c(C)cc3C)n2)c1 225652580 OLTCABWTZKMVGH-UHFFFAOYSA-N 351.406 3.600 0 40 FHAB COc1ccc([C@@H]2CCCCN(S(=O)(=O)CCC(F)(F)F)C2)cc1 225659086 DHXUPVXFZYRMSM-CQSZACIVSA-N 365.417 3.547 0 40 FHAB Cc1ccc(OCC(=O)Nc2cc(C)c3nc(NN)sc3c2)c(C)c1 226313123 UGDUQSSGRDWJAG-UHFFFAOYSA-N 356.451 3.525 0 40 FHAB Cc1cc(C(=O)N[C@H]2[C@@H]3c4ccccc4CC[C@H]32)c2cnn(C(C)C)c2n1 246177489 IOBKOIVIGVYELW-NSISKUIASA-N 360.461 3.779 0 40 FHAB Cc1cccc(Nc2cc(C3CCN(Cc4nccn4C)CC3)ccn2)n1 257222924 DVEAWVZTEXSAOJ-UHFFFAOYSA-N 362.481 3.642 0 40 FHAB Cn1cncc1[C@H]1CCCN(Cc2ccc(-c3ccccc3C(=O)O)o2)C1 257308261 TWCKPZJRKQBOPW-HNNXBMFYSA-N 365.433 3.758 0 40 FHAB Cc1cc(C(=O)N2CCC[C@H](c3cncc(Oc4ccccc4)n3)C2)no1 257324568 WPHKVFRTHBSRHV-HNNXBMFYSA-N 364.405 3.585 0 40 FHAB O=C(N[C@@H]1CCCc2sccc21)N1CCC[C@](O)(C(F)(F)F)CC1 288207612 ONEGSSXFYRVBEZ-IUODEOHRSA-N 362.417 3.614 0 40 FHAB O=C1/C(=C\c2ccncc2)N=C(c2ccccc2F)N1c1ccc(O)cc1 408848626 XMLCQFSUIWZXKJ-CPNJWEJPSA-N 359.360 3.761 0 40 FHAB COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c2ccccc12 409194274 JFUOKRBAAHFALG-CPNJWEJPSA-N 358.397 3.941 0 40 FHAB Cc1cc(C(=O)N[C@H](CCO)C2CCCCC2)c(C)n1CC(F)(F)F 677438814 ZQHHHDYQDQGYBN-MRXNPFEDSA-N 360.420 3.728 0 40 FHAB CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)c1cccc2c[nH]nc12 1644675578 GRQQFAWWZWQWKK-IBGZPJMESA-N 362.477 3.690 0 40 FHAB CC(C)c1ccc(C[C@]2(C)Cc3cc(C(=O)N(C)CCO)ccc3O2)cc1 2037872588 PLIUMZBGMQFXGD-HSZRJFAPSA-N 367.489 3.811 0 40 FHAB COc1ccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)cc1 934655 LUEHBFKSJASUEK-LLVKDONJSA-N 350.212 3.864 0 40 FHAB CCOC(=O)c1ccc(O[C@@H]2CCCCO2)c(O[C@@H]2CCCCO2)c1 1727294 KTXMVCSMCQJGMZ-QZTJIDSGSA-N 350.411 3.674 0 40 FHAB O=C(Nc1cc(F)c(F)cc1Cl)N1CCN(c2ccccc2)CC1 2321771 BCCPTLWSUHGOED-UHFFFAOYSA-N 351.784 3.972 0 40 FHAB COC(=O)[C@H](CC(C)C)NC(=O)NCC(c1ccccc1)c1ccccc1 2411887 LYCIMUIFGSOGHZ-FQEVSTJZSA-N 368.477 3.705 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC(=O)COc1ncnc2sc3c(c12)CCCC3 3318013 FJGOHWGAETWPLZ-OCCSQVGLSA-N 359.495 3.644 0 40 FHAB CC(=O)c1ccc(N2CCN(C(=O)CSc3ccccc3C)CC2)cc1 3323284 WRFKDZNMAVHSIL-UHFFFAOYSA-N 368.502 3.639 0 40 FHAB CC(=O)c1sc2nc(CSc3nc(C)cs3)[nH]c(=O)c2c1C 3386103 HAXGMEVCMHTPEN-UHFFFAOYSA-N 351.478 3.553 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3O)no2)cc1OC 3908131 DAWQXWVXBDXXLT-UHFFFAOYSA-N 354.362 3.625 0 40 FHAB O=C(O)c1cnn(-c2nc(-c3ccccc3F)cs2)c1C(F)(F)F 4092898 XOEUXDKENFOJEL-UHFFFAOYSA-N 357.288 3.852 0 40 FHAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(OC)c(OC)c1 4162599 FLRPFYYYBRRPQH-UHFFFAOYSA-N 369.373 3.879 0 40 FHAB O=C(Nc1nnc(-c2ccccc2Cl)o1)c1cc2ccccc2oc1=O 4275917 FLYJUFNSXGHGLP-UHFFFAOYSA-N 367.748 3.749 0 40 FHAB CCCNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2 4952877 ZCSDBIUPKZBMIC-SKDRFNHKSA-N 358.389 3.745 0 40 FHAB COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cc(Cl)cc(Cl)c1 5150509 SARDZJIQPLDSOZ-HNNXBMFYSA-N 367.232 3.899 0 40 FHAB COc1ccccc1Cn1c(C)c(C)c2c(=O)n(-c3ccccc3)cnc21 5451599 LCBHRNIVMWHXNN-UHFFFAOYSA-N 359.429 3.861 0 40 FHAB O=C(Nc1ccccc1)N[C@H](CCSC(=O)Nc1ccccc1)C(=O)O 5603984 ZUYXILMXSIPLQU-OAHLLOKOSA-N 373.434 3.617 0 40 FHAB CCc1nnc(NC(=O)c2sc3nc4c(cc3c2N)CCCCC4)s1 5892954 BYNBYSXFLMGCQK-UHFFFAOYSA-N 373.507 3.814 0 40 FHAB COC(=O)c1sccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 6623480 YPWJCAFOBZGPLR-UHFFFAOYSA-N 353.465 3.633 0 40 FHAB CCN(CC)C(=O)CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 6636630 AUAHCGIAZYEAQD-NRFANRHFSA-N 361.445 3.582 0 40 FHAB CC(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)c1 7224630 OREXTNAFPCLCJO-VIFPVBQESA-N 351.328 3.501 0 40 FHAB Cc1cc(C)cc(N[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1 7240110 ZARDRYVOAZTCRS-QGZVFWFLSA-N 353.466 3.579 0 40 FHAB O=C(OCc1cc(-c2ccco2)on1)c1ccc(OC[C@@H]2CCCO2)cc1 7553891 ATCRGLKSPCTWGI-KRWDZBQOSA-N 369.373 3.849 0 40 FHAB Cc1nc2ccccc2c(C)c1C(=O)OCC(=O)N1c2ccccc2C[C@@H]1C 7710742 IBLZFFYWKHGNDG-AWEZNQCLSA-N 374.440 3.986 0 40 FHAB O=C(C1=Cc2ccccc2OC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8156164 UJLNSHMWGIWOEH-GOSISDBHSA-N 363.413 3.597 0 40 FHAB CCCc1cc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)sc1C 8361650 QOOLWKLQTBFLEH-UHFFFAOYSA-N 363.479 3.965 0 40 FHAB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(-c2ccccc2)cc1 8477336 XTBROWHWVQYFNI-XMHGGMMESA-N 360.413 3.758 0 40 FHAB Cc1cccc(NC(=O)[C@H]2CC(=O)Oc3c2c(C)nn3-c2ccccc2)c1 8559687 BNXPFMVERASCRT-KRWDZBQOSA-N 361.401 3.521 0 40 FHAB COc1ccc(CN(C)CC(=O)Nc2ccc(N3CCCC3)cc2C)cc1 9114196 ADCPFQQCQCKDTN-UHFFFAOYSA-N 367.493 3.674 0 40 FHAB Cc1sc2ncnc(N3CCC(C(=O)N4CCC(C)CC4)CC3)c2c1C 9450216 WJBHQHAMKDLHGS-UHFFFAOYSA-N 372.538 3.783 0 40 FHAB O=C(Nc1cccc(F)c1)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 9486095 WXCPUCNXACQNSZ-OAHLLOKOSA-N 365.408 3.798 0 40 FHAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2cccnc2)cc1 9886691 XWIFCZVVAYTMEW-UHFFFAOYSA-N 361.401 3.500 0 40 FHAB C[C@H](c1ccccc1)N(C)C(=O)NCc1cccc(NC(=O)C2CC2)c1 10367786 UVKMMQJHSSIAKE-OAHLLOKOSA-N 351.450 3.938 0 40 FHAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccc(F)c(F)c1F 10408484 JOFHUOCSZABCEX-UHFFFAOYSA-N 357.715 3.710 0 40 FHAB Cc1ccc(NC(=O)CNC(=O)Nc2ccccc2)c(Br)c1 11775377 ZRWHVSDQPLKFQH-UHFFFAOYSA-N 362.227 3.518 0 40 FHAB O=C(CSc1nnc2cc(-c3ccccc3)ncn12)Nc1ccccc1 11903135 QKXMOIVERLXWAZ-UHFFFAOYSA-N 361.430 3.522 0 40 FHAB O=C(Cn1c(-c2ccc(F)cc2)cc2cccnc21)NCCc1ccncc1 12144007 DJXYGAKYXUHVSY-UHFFFAOYSA-N 374.419 3.596 0 40 FHAB Cc1ccccc1C(=O)N[C@H](C(=O)Nc1cnc2ccccc2c1)C(C)C 12736331 SHVIECYFPPWNKS-FQEVSTJZSA-N 361.445 3.936 0 40 FHAB O=c1c2ccc(Cl)cc2ncn1Cc1nc(-c2ccccc2Cl)no1 12801432 GDIXJTRNGQSAIY-UHFFFAOYSA-N 373.199 3.802 0 40 FHAB COc1ccc(OC)c([C@@H]2c3cc4c(cc3O[C@](C)(OC)[C@@H]2C)OCO4)c1 12857485 ZTEKYRBIKZVOMH-YFMVFKIRSA-N 372.417 3.956 0 40 FHAB CCCCc1ccc(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)cc1 12915187 KUIVNLILRXSKKJ-UHFFFAOYSA-N 368.452 3.767 0 40 FHAB CC(C)(C)c1ccc(OCC(=O)NCc2ccnc(N3CCCC3)c2)cc1 12925052 UHDXJLRUJUXNBL-UHFFFAOYSA-N 367.493 3.675 0 40 FHAB COC(=O)c1ccc(CN(C)C(=O)c2ccc(OC(F)(F)F)cc2)cc1 12937146 FLLYBWUWOPGEAE-UHFFFAOYSA-N 367.323 3.644 0 40 FHAB CCc1ccc(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)cc1 12948085 ZOKGHGLQNIMJTQ-UHFFFAOYSA-N 350.340 3.793 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 12974666 MRBRBQZXPWWLGH-KGLIPLIRSA-N 370.840 3.565 0 40 FHAB C[C@H]1C[C@H](c2ccccc2)n2nc(NC(=O)CCc3ccccc3)nc2N1 13127172 AYPOGAKWEVZOEN-MAUKXSAKSA-N 361.449 3.643 0 40 FHAB CCOc1ccc([C@@H]2C[C@H](c3ccc(OC)cc3)n3ncnc3N2)cc1 13132338 MNMBYPWITWMIAR-RBUKOAKNSA-N 350.422 3.832 0 40 FHAB Cc1ccc(N2C[C@H](c3nnc(NC(=O)CC(C)(C)C)s3)CC2=O)cc1 13944367 HDFBTELFHOLMFJ-CYBMUJFWSA-N 372.494 3.742 0 40 FHAB COc1cccc(-c2nc(CN3CCN(c4ccccn4)CC3)cs2)c1 14139126 UNKSSGXWGKFIQA-UHFFFAOYSA-N 366.490 3.536 0 40 FHAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)c1 15049231 NXXGDWGKCZHHON-YBEGLDIGSA-N 370.405 3.809 0 40 FHAB O=c1cc(COc2ccc(Cl)cc2Br)nc2ccccn12 15342619 GVXANVBPTFFVTH-UHFFFAOYSA-N 365.614 3.689 0 40 FHAB COc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1 15883099 NRCMIZJGQHMCRL-UHFFFAOYSA-N 368.820 3.811 0 40 FHAB CCn1c(S[C@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)nnc1-c1ccccc1 17782971 NYTFZGNWDCQGAY-OWCLPIDISA-N 372.538 3.950 0 40 FHAB O=C(c1cc(-c2ccccc2F)no1)N1CCCC[C@H]1CCN1CCCC1 19368328 YQSCSQOWHOTZAJ-INIZCTEOSA-N 371.456 3.961 0 40 FHAB CCc1onc(C)c1C(=O)N1CCC(c2cc3ncccc3cn2)CC1 19521095 QSUSPPRPKCSFSI-UHFFFAOYSA-N 350.422 3.508 0 40 FHAB Cc1nc2ccccn2c1CN1CCC[C@@H](c2nc3ccccc3n2C)C1 19714577 CXXVPWCXLOLEAF-QGZVFWFLSA-N 359.477 3.909 0 40 FHAB COc1ccc(SCC(=O)NCCSc2ccccc2)cc1OC 20048936 ANHHALWUGSQKLQ-UHFFFAOYSA-N 363.504 3.704 0 40 FHAB COc1ccc(S(=O)(=O)NCc2ccc(F)cc2)c(Cl)c1Cl 20050301 RQJRJBCDEWCJRF-UHFFFAOYSA-N 364.225 3.620 0 40 FHAB Cc1ccc(NC(=O)C[C@@H](C)NC[C@H](c2ccco2)N2CCCC2)cc1 22095748 NGJDQZWKXVCYAB-IEBWSBKVSA-N 355.482 3.732 0 40 FHAB CCc1ccccc1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 22379793 HKHDMBAQORDMBC-UHFFFAOYSA-N 374.506 3.777 0 40 FHAB CN(Cc1ccc(Cl)s1)C(=O)CSc1ccc2c(c1)OCCO2 23223118 MPDIDXFVCHHQAR-UHFFFAOYSA-N 369.895 3.923 0 40 FHAB CCOc1ccc(CN2CCN(C(=O)Nc3ccccc3F)CC2)cc1 24528826 QQFIBRBJZBTVHE-UHFFFAOYSA-N 357.429 3.574 0 40 FHAB Cn1ncc2c1CCC[C@H]2NC(=O)CSCc1ccc(Cl)s1 24988860 NJRIXKVFEJSZSB-GFCCVEGCSA-N 355.916 3.562 0 40 FHAB Cc1ccccc1Nc1nc(N)nc(CN(C)Cc2cccc(Cl)c2)n1 25540072 JKDZPKCNFNMCKB-UHFFFAOYSA-N 368.872 3.791 0 40 FHAB CCCCNC(=O)Nc1nn(Cc2cccc(C)c2)cc1Br 27917345 HAWSZMJTQHMSPX-UHFFFAOYSA-N 365.275 3.924 0 40 FHAB CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc2c(c1)OCCO2 27975713 NAIHJQLUFAVALY-SFHVURJKSA-N 353.418 3.743 0 40 FHAB COc1cccc(OC)c1NC(=O)COc1ccc(Cl)c2cccnc12 28047779 UWLREPJVTPDXBA-UHFFFAOYSA-N 372.808 3.923 0 40 FHAB Cc1cc(OCC(=O)Nc2ccn(Cc3ccccc3)n2)ccc1Cl 28247201 VPBPAVIFNZUKIF-UHFFFAOYSA-N 355.825 3.911 0 40 FHAB CC(C)C[C@@H](NC(=O)C[C@@H](NC(N)=O)c1ccccc1)c1ccccc1 29107187 TUHYXYKWZVZPLY-RTBURBONSA-N 353.466 3.690 0 40 FHAB NC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 30753212 QMSRCCAAPNEJHF-UHFFFAOYSA-N 369.273 3.964 0 40 FHAB COc1ccc(-c2nc(CS[C@@H](C)C(=O)Nc3cc(C)on3)co2)cc1 31424668 FBGKEXFSZHBTDI-LBPRGKRZSA-N 373.434 3.907 0 40 FHAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCCO2 32740521 USGONTMBZSBQKF-LJQANCHMSA-N 361.463 3.524 0 40 FHAB O=C(O[C@H](C(=O)NCCc1ccccc1)c1ccc(F)cc1)c1ccco1 35289443 BTNSYBGWHMJLRI-IBGZPJMESA-N 367.376 3.676 0 40 FHAB O=C(COc1cccc(NC(=O)C2CC2)c1)N[C@H](c1ccccc1)C1CC1 36394964 BONWFDOPTHXCFR-OAQYLSRUSA-N 364.445 3.681 0 40 FHAB C[C@@H](NC(=O)c1occc1CS(=O)(=O)c1ccccc1)c1ccccc1 40018227 YIFMWRWVGXHWLS-OAHLLOKOSA-N 369.442 3.745 0 40 FHAB COc1cc(CCC(=O)N2CCCc3ccc(F)cc32)cc(OC)c1OC 40117151 NLQSARGYNSQKOF-UHFFFAOYSA-N 373.424 3.764 0 40 FHAB Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC1CCCC1 40143355 DPRWOSSBOVIXDS-UHFFFAOYSA-N 362.271 3.924 0 40 FHAB Cc1ccccc1-c1csc2c(=O)n(CC(=O)OC(C)(C)C)cnc12 44166711 XWRMCCDEJWKIMI-UHFFFAOYSA-N 356.447 3.775 0 40 FHAB Cc1[nH]c2c(C(=O)NCc3ccccc3Cn3cccn3)cccc2c1C 44897575 CBVQAGJKGAQVKU-UHFFFAOYSA-N 358.445 3.960 0 40 FHAB COCc1nc2ccc(NC(=O)c3ccccc3Br)cc2[nH]1 44916518 DQHIPRDLQUYQEM-UHFFFAOYSA-N 360.211 3.724 0 40 FHAB O=c1c(Cl)c(NC[C@@H]2CCOC2)cnn1-c1ccc(Cl)cc1Cl 52007341 LFSXCPDEXXCWDG-VIFPVBQESA-N 374.655 3.641 0 40 FHAB O=C(C[C@@H]1Sc2ccccc2NC1=O)NCCc1ccc(Cl)s1 53680371 BVASJASTSYLMHW-ZDUSSCGKSA-N 366.895 3.563 0 40 FHAB O=C(O)[C@H]1CC(=O)N(c2ccc3oc(-c4ccccc4Cl)nc3c2)C1 57327275 RZNIFIJBNPSEMS-JTQLQIEISA-N 356.765 3.586 0 40 FHAB COCCn1c(SCc2ccc(C)c(C)c2)nc2ccccc2c1=O 67258467 SNOSPVYZNPCCGG-UHFFFAOYSA-N 354.475 3.952 0 40 FHAB CCc1ccc(N2C[C@@H](C(=O)N(C)Cc3sccc3C)CC2=O)cc1 69552726 SRFPZUUMUBNNHO-INIZCTEOSA-N 356.491 3.630 0 40 FHAB CCN(CC)C(=O)c1cnc([C@H]2CCCCN2Cc2ccccc2)nc1C 72345514 OXDKFOOXLHNHQO-HXUWFJFHSA-N 366.509 3.994 0 40 FHAB Cn1cc(CN2CCC[C@H]2c2cccc(Cc3ccccc3F)n2)cn1 72358123 JJZWXGCGTBCBLY-NRFANRHFSA-N 350.441 3.882 0 40 FHAB Cc1nc([C@@H]2CCCN2CC(C)C)nc2c1CCCN2Cc1ccccn1 72373746 XKGWUOXOLPNKQB-FQEVSTJZSA-N 365.525 3.926 0 40 FHAB C[C@H](Cc1ccc(F)cc1)N1CC[C@]2(CCc3ccccc3C(=O)N2)C1 72395789 CCWNOGYVXNWTQL-OPAMFIHVSA-N 352.453 3.577 0 40 FHAB CCCCc1nc2cc(NS(=O)(=O)c3ccc(OC)cc3)ccc2[nH]1 75106935 CJQZWNFUVINDAU-UHFFFAOYSA-N 359.451 3.715 0 40 FHAB Cc1cnc(NC(=O)[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)s1 84264918 PVFQPTCYOWIQIC-HNNXBMFYSA-N 373.478 3.925 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H](CNc2cccc(-c3nnco3)c2)C1 95412771 XQZSXMAXKAWAEM-AWEZNQCLSA-N 358.442 3.796 0 40 FHAB O=C(Cc1ccccc1Cl)Nc1ccncc1I 95413741 IVADBEJYAFUKHJ-UHFFFAOYSA-N 372.593 3.521 0 40 FHAB CC(C)(C)/C=C/C(=O)NCCN(Cc1ccccn1)C(=O)/C=C/C(C)(C)C 95451264 BIKFQZWNZWSXRB-DCIPZJNNSA-N 371.525 3.731 0 40 FHAB O=C(Cc1coc(-c2ccc(Cl)cc2)n1)Nc1cnc2c(c1)COCC2 95464400 BVVPJEDYWFZDAB-UHFFFAOYSA-N 369.808 3.644 0 40 FHAB C[C@@H](NC(=O)c1ccc(-n2cccn2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 95466111 JJQZNWCHTXZVPX-WIYYLYMNSA-N 374.488 3.513 0 40 FHAB O=C(c1cc2ccccc2[nH]1)N1CC[C@@]2(CCN2Cc2ccc(F)cc2)C1 96076060 HZQKZVWZOIDLLB-JOCHJYFZSA-N 363.436 3.798 0 40 FHAB COc1ccc(CN2CCC(F)(F)[C@]3(CCN(c4cccnc4)C3)C2)cc1 96239576 QKWMQDSSHPCFBK-HXUWFJFHSA-N 373.447 3.828 0 40 FHAB CC(C)(C)CC(=O)N1CC[C@]2(COCc3cnc(-c4ccccc4)nc32)C1 96244384 VVYKNAAHNHZBIS-JOCHJYFZSA-N 365.477 3.580 0 40 FHAB Cc1nc(C)c(C(=O)N2[C@H]3CC[C@@H](C3)[C@@H]2COc2ccc(F)cc2)s1 100113236 YYWNUSJYMHKMSA-QRTARXTBSA-N 360.454 3.971 0 40 FHAB C[C@H]1CC[C@H]2C(=O)N(c3ccccc3OC(=O)c3ccccc3)C(=O)[C@@H]2C1 100474747 UZWHLOJRFBMUGX-USXIJHARSA-N 363.413 3.831 0 40 FHAB Cc1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)N(c4ccccc4)O[C@H]3C2=O)cc1 102733702 ZUPSITHYXMCPQV-SLFFLAALSA-N 364.445 3.720 0 40 FHAB O=C(NC[C@H]1CCCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)C1)Nc1cccc(F)c1 106866941 BSAAOHVDBOJIDI-RCJHGTSTSA-N 373.472 3.622 0 40 FHAB C[C@@H](NC(=O)c1ccc(CSc2nccn2C)o1)[C@@H]1C[C@H]2CC[C@H]1C2 107331367 OXGCRCCHPNTPME-HOSILWTGSA-N 359.495 3.860 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)N(Cc1cccs1)C1CCOCC1 207962318 ZBDCHLOQUXENCI-UHFFFAOYSA-N 360.435 3.690 0 40 FHAB COc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1O 214593955 WHGVCSADTSEMLN-LICLKQGHSA-N 355.415 3.946 0 40 FHAB Cc1cccc(N([C@@H](C)C(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)c1 220132420 HLHNLIYKYXLBRD-INIZCTEOSA-N 374.506 3.912 0 40 FHAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C 222575452 GKRBLSVBCXYQLZ-MRXNPFEDSA-N 372.896 3.663 0 40 FHAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccco1 222830894 ZGRKXIGIGDEPHU-CQSZACIVSA-N 362.857 3.767 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C 223050843 JXJUCGDPMOTPFU-NRFANRHFSA-N 366.505 3.708 0 40 FHAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(N2CCOCC2)on1 224076548 LZBXOMJMLGGJJB-UHFFFAOYSA-N 365.389 3.556 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 224268842 BBNFTJUZFYPDKA-IBGZPJMESA-N 372.896 3.826 0 40 FHAB Cc1ccc(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)cc1 225531023 MPANATMIJUFFAJ-LJQANCHMSA-N 366.505 3.788 0 40 FHAB C[C@H](NC(=O)[C@@H]1[C@@H]2CC[C@@]3(CC(=O)c4ccccc4O3)[C@H]21)c1ccccc1 248252347 MTUYDFNNRNSSRA-DTLKRGIPSA-N 361.441 3.924 0 40 FHAB Cc1nccc(N2CC[C@@H](c3ccnc4ncc(-c5ccc(F)cc5)n34)C2)n1 257246827 IVZMCEYGKJAECN-MRXNPFEDSA-N 374.423 3.628 0 40 FHAB CCn1ccnc1[C@H](NC(=O)[C@@H]1C[C@H]1c1sccc1C)C1CCOCC1 286910366 PNWAHIRUVWOHDR-BRWVUGGUSA-N 373.522 3.661 0 40 FHAB c1ccc(-c2ccc3c([C@H]4CN(Cc5ccco5)CCO4)nnn3c2)cc1 306137024 QJGUYWSCZQYZIL-HXUWFJFHSA-N 360.417 3.563 0 40 FHAB O=C(NC1CCCCCCC1)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1 408997838 JNRWDYZTRFSZNW-GOSISDBHSA-N 372.465 3.543 0 40 FHAB CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3F)cc2)N(C)C1=S 409029608 BUYSYWRQVPARSC-PDGQHHTCSA-N 370.449 3.824 0 40 FHAB C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC2(CCCCC2)C1 521601867 JVFUXYBCBJSJLR-UYAOXDASSA-N 355.526 3.873 0 40 FHAB CN(Cc1ccc([S@](C)=O)cc1)C(=O)N[C@@H](c1ccccn1)C1CCC1 528174357 KXDDKMJPPHDFBI-BCHFMIIMSA-N 371.506 3.502 0 40 FHAB C[C@H]1C[C@H](c2ccc(Br)cc2)CN1Cc1nc(C(=O)O)co1 629377202 MAHLQDBZOSWSGG-JQWIXIFHSA-N 365.227 3.513 0 40 FHAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1cc2ccccc2c(=O)o1 683373056 IENGPFSQMDDZGH-GOSISDBHSA-N 350.418 3.889 0 40 FHAB C[C@@H]1CN(C(=O)c2nc(-c3ccccc3)n3c2COCC3)[C@@H]2CCCC[C@H]12 1553235092 DICMFQAIXWORHD-KBAYOESNSA-N 365.477 3.731 0 40 FHAB CCc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc1 869752 CHWPEEQHPSSDFG-UHFFFAOYSA-N 351.372 3.982 0 40 FHAB Cc1sc2nc(SCC(=O)OC3CCCCC3)[nH]c(=O)c2c1C 1368199 QBPKSXXMQYPPSW-UHFFFAOYSA-N 352.481 3.569 0 40 FHAB CCCOc1ccc(Cl)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 55594737 JFSZEYFJOIVAPZ-UHFFFAOYSA-N 367.854 3.785 0 40 FHAB O=C(Nc1ccc(SC(F)(F)F)cc1)c1ccnc(-n2cncn2)c1 56012001 QANKHZKKOXYVLB-UHFFFAOYSA-N 365.340 3.527 0 40 FHAB CC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 6415778 LJRGTFAUHPVCRY-INIZCTEOSA-N 374.506 3.941 0 40 FHAB C[C@@H](NC(=O)COc1cccc(Br)c1)[C@H]1C[C@H]2CC[C@H]1C2 108869864 FDRDZYSCVFNPHX-LMOYCYGVSA-N 352.272 3.769 0 40 FHAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1ccc(F)cc1 8324210 LTNNHKWTLCYJAX-SFHVURJKSA-N 354.381 3.934 0 40 FHAB COc1ccc(C(=O)Oc2ccc(NC(C)=O)cc2)cc1Br 8555330 DVKWMQUZAWSPLP-UHFFFAOYSA-N 364.195 3.635 0 40 FHAB CN(C)[C@@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1cccs1 35982407 OHMPHPSIUYJVTH-HNNXBMFYSA-N 366.914 3.978 0 40 FHAB CS(=O)(=O)N1CCc2cc(-c3csc(-c4cccs4)n3)ccc21 8943691 MOSWKISPROOTBI-UHFFFAOYSA-N 362.501 3.861 0 40 FHAB NC(=O)c1cc(-c2csc(Nc3cccc4ncccc34)n2)ccc1O 58168505 XPIMTXJELJZQSB-UHFFFAOYSA-N 362.414 3.906 0 40 FHAB CC(C)OCc1cccc(NC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)c1 58163256 ZUQNGTVVHRYQAX-SFHVURJKSA-N 358.438 3.598 0 40 FHAB Cc1cc(C)c(CN(Cc2ccc(Cl)cc2)NS(C)(=O)=O)c(C)c1 10338816 PFYZJVNSTSISQV-UHFFFAOYSA-N 366.914 3.732 0 40 FHAB COCCOCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 58344011 YHSSLRITUGBCOH-KRWDZBQOSA-N 353.871 3.660 0 40 FHAB Cc1nc(-c2cccc(NC(=O)c3ccc(-n4cncn4)cc3)c2)oc1C 58427108 ADUFHNSAASFWAR-UHFFFAOYSA-N 359.389 3.791 0 40 FHAB COC(=O)c1ccc(NC(=O)[C@]2(c3ccccc3)CC2(Cl)Cl)cc1 2202036 YJQVSDHAZZUCHQ-QGZVFWFLSA-N 364.228 3.927 0 40 FHAB CCCCCCC(=O)NN1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 2349316 KNFVYESESWFSCX-UHFFFAOYSA-N 350.418 3.536 0 40 FHAB Cc1ccc(-n2nc3c(SCCN4CCCC4)nnc(C)c3c2C)cc1 36646300 MLKPMDAZVKFRBD-UHFFFAOYSA-N 367.522 3.929 0 40 FHAB Cc1ccc(Cn2cc(Br)c(NC(=O)c3ccccn3)n2)cc1 27917237 JKOZGOKRKOMYIM-UHFFFAOYSA-N 371.238 3.650 0 40 FHAB Cc1nn2c(NCCCN(C)C)c3c(nc2c1-c1ccccc1)CCCC3 2438852 JBGHJXWBNDFTSA-UHFFFAOYSA-N 363.509 3.947 0 40 FHAB O=C(COC(=O)/C=C/c1ccccc1Cl)Nc1c(F)cccc1F 3234492 NWAOZXNTHSSEOC-CMDGGOBGSA-N 351.736 3.813 0 40 FHAB COc1ccc2nc(C(=O)Nc3ccnn3Cc3ccccc3)ccc2c1 24885421 ZYLDXZDWPWVVBV-UHFFFAOYSA-N 358.401 3.741 0 40 FHAB c1ccc([C@]2(N3CCOCC3)C[C@@H]3c4ccccc4[C@@H]2c2cccc[n+]23)cc1 104062969 GACFZQUGMQKXMO-UBFVSLLYSA-N 369.488 3.640 0 40 FHAB O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(c2ncnc3sccc23)C1 47254551 IVDSXAKZMHHAQV-NSHDSACASA-N 373.869 3.595 0 40 FHAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(C[C@H](O)c1ccc(Cl)cc1)C2=O 37474936 OOUVZXXMFQEFFT-XFHNUULXSA-N 364.873 3.510 0 40 FHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(OC)c(OC)c1 21307585 WVHQUXYNYBBOKG-INIZCTEOSA-N 363.841 3.831 0 40 FHAB Clc1ccccc1-c1nc(CSc2nnnn2-c2ccccc2)no1 12765674 PFOFKDRTFULFDX-UHFFFAOYSA-N 370.825 3.658 0 40 FHAB COc1cc(SC)ccc1C(=O)OCC(=O)Nc1cc(C)ccc1C 3300616 QAPIFSBJAMEJNU-UHFFFAOYSA-N 359.447 3.829 0 40 FHAB C[C@H]1CCCCN1C(=O)CSc1nnc(NCc2ccccc2)s1 3318796 KOCPKUBTCFCWFA-ZDUSSCGKSA-N 362.524 3.643 0 40 FHAB CN1C(=O)C(C)(C)COc2cc(NC(=O)Nc3ccc(F)cc3)ccc21 22508217 WCEVRNOJHAHNOH-UHFFFAOYSA-N 357.385 3.851 0 40 FHAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 3548075 AWRYZSJEPAGPEM-UHFFFAOYSA-N 372.490 3.812 0 40 FHAB COC(=O)c1ccc(CN(C)C(=O)c2ccccc2C(F)(F)F)cc1 12948494 BUNLFUQTHSEEEJ-UHFFFAOYSA-N 351.324 3.764 0 40 FHAB O=C(CC1CCOCC1)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 96001312 FTIWGBLQYYBVBR-GOSISDBHSA-N 369.465 3.997 0 40 FHAB O=C(NCC1CCCCCCC1)c1cccn(Cc2ccccc2)c1=O 63782425 QADWUEJONNGHMF-UHFFFAOYSA-N 352.478 3.987 0 40 FHAB COc1ccccc1N1CCN(c2nc(SC)nc3ccccc23)CC1 4053877 HVVSDAGMCYNFGY-UHFFFAOYSA-N 366.490 3.687 0 40 FHAB CC(C)NC(=O)COc1ncnc2scc(-c3ccc(Cl)cc3)c12 6049240 DGMXDVAXMANGHZ-UHFFFAOYSA-N 361.854 3.915 0 40 FHAB CCOc1ccccc1CCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 39553141 TWKYTOUEWZIZON-UHFFFAOYSA-N 366.461 3.893 0 40 FHAB C[C@@H](Sc1nnc(Cc2ccccc2)o1)c1nc2ccccc2c(=O)[nH]1 6105310 OLOLTVHEYYVMTD-GFCCVEGCSA-N 364.430 3.750 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2ccc3c(c2)OC(F)(F)O3)c1C 39992486 YQQBKMJOMOGPAX-SNVBAGLBSA-N 364.348 3.839 0 40 FHAB Cc1nn(C)c(Cl)c1CNC[C@H](c1ccccc1)N1CCC(C)CC1 95369283 OFAMFCMWOKIABS-LJQANCHMSA-N 360.933 3.945 0 40 FHAB Cc1ccc(OCC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1C 6589716 LFVJEBWSERAAFJ-QFIPXVFZSA-N 369.461 3.967 0 40 FHAB CCc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCOCC3)cc2)cc1 6567001 MODBCABRIPNMGP-MRXNPFEDSA-N 353.466 3.525 0 40 FHAB CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)Nc3cccnc3)c12 6671875 VKWDMGDYWJGOSB-UHFFFAOYSA-N 366.417 3.857 0 40 FHAB CCc1ccc(C(=O)N[C@@H](C(=O)N[C@@H](C)c2ccccc2)C(C)C)cc1 4704020 DEMYXXGSTIGWSR-OXJNMPFZSA-N 352.478 3.881 0 40 FHAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)Nc3ccn(C)n3)sc2n1 14899618 BSGKTANRHKZXEC-UHFFFAOYSA-N 351.435 3.690 0 40 FHAB CC(C)N1CCC(NC(=O)COc2ccc(-c3ccccc3)cc2)CC1 14939320 SZGAQAHHLGJBAI-UHFFFAOYSA-N 352.478 3.721 0 40 FHAB C[C@H](NC(=O)N[C@H]1CCc2ccccc21)c1nc(-c2ccc(F)cc2)no1 84667753 SPMXPIPZFALCIK-SJCJKPOMSA-N 366.396 3.923 0 40 FHAB COc1ccc(CN(C)Cn2nc(-c3ccc(OC)cc3)oc2=S)cc1 6948351 OTLSRXTVLQMTJT-UHFFFAOYSA-N 371.462 3.979 0 40 FHAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)NCc1ccccc1Cl 5980768 SIRRLNQRNIAMHR-UHFFFAOYSA-N 371.742 3.832 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2SC(F)F)cc1 7055872 IOSHYSGZLZHPEY-UHFFFAOYSA-N 372.418 3.761 0 40 FHAB O=S(=O)(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cccs1 7051588 SSIGBGLSMQOBSU-UHFFFAOYSA-N 374.491 3.534 0 40 FHAB COc1cc(C)c(Cl)cc1S(=O)(=O)n1c(C)nc2ccccc21 7616253 VLPIILREXOZNOS-UHFFFAOYSA-N 350.827 3.552 0 40 FHAB Cc1cc(NS(=O)(=O)c2cc(F)cc(F)c2)ccc1Br 16129521 AWPJSGCKIXJDBG-UHFFFAOYSA-N 362.195 3.837 0 40 FHAB C[C@H]1CCc2c(sc(NC(=O)c3ccc4ccccc4n3)c2C(N)=O)C1 8039387 KVBDIQIQJWWAAG-NSHDSACASA-N 365.458 3.772 0 40 FHAB COc1ccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 8195564 HGNVKXFQOSLGEH-UHFFFAOYSA-N 360.460 3.857 0 40 FHAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc2c(c1)OC1(CCCC1)O2 8264352 PMIMDJXOVFOFII-QGZVFWFLSA-N 365.385 3.968 0 40 FHAB C[C@@H](Sc1nnc2sc3ccccc3n12)C(=O)N1CCCCCC1 8780538 NPZMZOJHLWWZMI-GFCCVEGCSA-N 360.508 3.827 0 40 FHAB C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc2c(c1)OCCO2 8719331 UQKZQDQXKMLKIX-CQSZACIVSA-N 350.418 3.749 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)c1cccnc1Nc1ccccc1F 89814404 GBRQAVQJZZPRLL-UHFFFAOYSA-N 351.337 3.945 0 40 FHAB C=C1c2ccccc2NC(=O)N1C[C@H](c1cccs1)N1CCN(C)CC1 25065990 PRWANLDIXRYTCP-GOSISDBHSA-N 368.506 3.555 0 40 FHAB CC[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccccc1 20044479 TXNPWWDOYJVITH-INIZCTEOSA-N 366.870 3.593 0 40 FHAB CC[C@H](NC(=O)c1ccc(N(CC)S(C)(=O)=O)cc1)c1ccc(C)cc1 20488841 RZNDGXVXDYCSQU-IBGZPJMESA-N 374.506 3.662 0 40 FHAB COc1ccc(NC(=O)c2cccnc2Cl)cc1-c1ccc(CO)o1 20143562 DHRITEJRLHERAP-UHFFFAOYSA-N 358.781 3.748 0 40 FHAB O=C(COc1ccccc1Cc1ccccc1)OCc1nnsc1Cl 21602516 JCSGVBNSMXCBQB-UHFFFAOYSA-N 374.849 3.905 0 40 FHAB CCCCOc1ccc(NC(=O)C(=O)NCc2ccccc2Cl)cc1 408709823 XMABGSNIQDMIRM-UHFFFAOYSA-N 360.841 3.774 0 40 FHAB O=C(NCCCc1ccccc1Cl)c1ccc(CN2CCCC2=O)cc1 30866303 CMYTZJJFGQQYQG-UHFFFAOYSA-N 370.880 3.825 0 40 FHAB COc1cc(CN2[C@H]3CC[C@@H]2Cc2nc(C)ncc23)ccc1OC(C)C 72340969 KNBBZRNIMQATMF-APWZRJJASA-N 353.466 3.843 0 40 FHAB O=C(C1CCCCC1)N1CCN(C2CCCC2)C[C@@H](Cc2ccccn2)C1 72355087 QSXQGFZNWAWDOM-LJQANCHMSA-N 369.553 3.907 0 40 FHAB CC(C)C[C@@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccccc1 216436053 KAWFGRGGZRXIGP-GOSISDBHSA-N 374.506 3.600 0 40 FHAB CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc2ccccc2c1 34260101 IRQHEZDPMBPLEM-UHFFFAOYSA-N 355.415 3.784 0 40 FHAB CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccc4cc[nH]c4c3)cc2C1=O 32106650 MHCDHXQYUCDNGT-UHFFFAOYSA-N 361.401 3.672 0 40 FHAB C[C@H](NC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccc(F)cc1 40103295 FEEVRZIAGMCUQA-JTQLQIEISA-N 370.833 3.765 0 40 FHAB CCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCC 223129252 SDNHJXGQLGEILL-HXUWFJFHSA-N 352.478 3.563 0 40 FHAB Cc1ccc(C(=O)c2ccccc2CN2CCC3(CC2)OCCO3)cc1C 85651575 ITEJEHBFGWBFIH-UHFFFAOYSA-N 365.473 3.873 0 40 FHAB CCc1ccc(CN(CN2C(=O)NC3(CCCCCC3)C2=O)C2CC2)cc1 40091189 GWHXDASTFRMZIM-UHFFFAOYSA-N 369.509 3.816 0 40 FHAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1 223785608 AFLJLEKWORBHCK-RTBURBONSA-N 364.474 3.986 0 40 FHAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCC(C)C)cc1 225881794 AIDJBBXLIZCRIE-AQTBWJFISA-N 356.491 3.990 0 40 FHAB CC[C@@H](NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1)c1ccccc1OC 63809815 IDQYJBHQJJGNEU-CQSZACIVSA-N 369.446 3.888 0 40 FHAB COc1cc(/C=C/C(=O)N2CCO[C@H]3CCCC[C@@H]32)cc(Cl)c1OC 40145723 DPWSXTNXGWHGLM-HABDOHHLSA-N 365.857 3.540 0 40 FHAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2nc3ccccc3n2C)cc1 1597281226 OOJVZXPTIQTKFU-LBPRGKRZSA-N 368.462 3.651 0 40 FHAB Cc1ccc(N2CCC[C@@H]2c2nnn3cc(-c4cccc(F)c4)ccc23)nn1 96267900 CZQRBTMUQOZCHD-GOSISDBHSA-N 374.423 3.975 0 40 FHAB O=C(Cn1cccc1-c1nc(-c2ccccc2)no1)NCc1ccccc1 98211295 QZVNDOROIFJQFT-UHFFFAOYSA-N 358.401 3.522 0 40 FHAB COCCCNC(=O)c1cc2c(c3ccccc3n2C(C)C)n1CCOC 96037323 KSHMSILJGCQZBS-UHFFFAOYSA-N 371.481 3.590 0 40 FHAB O=C(CCn1ccc2c(Cl)cccc21)NCc1nc2ccccc2[nH]1 95473489 GJTOPWJHFLJDDX-UHFFFAOYSA-N 352.825 3.878 0 40 FHAB Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC[C@]2(C)NCCC[C@@H]12 257258672 KVBCTGFTVBHLFY-UTKZUKDTSA-N 369.534 3.789 0 40 FHAB O=C(Nc1ccc(Cl)cc1Cl)N1CCn2c(nnc2C(F)F)C1 623229272 SVWRYJCWBKPGEA-UHFFFAOYSA-N 362.167 3.570 0 40 FHAB CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)Nc1ccc(N(C)C(C)=O)cc1 678462649 KENQACUNFVPBPS-ORAYPTAESA-N 373.428 3.706 0 40 FHAB CCc1c(NCc2cnnn2-c2ccccc2)cnn1-c1ccccc1C 685199937 HGAWDVFBOSZUMV-UHFFFAOYSA-N 358.449 3.936 0 40 FHAB CCN(C(=O)C1CN(c2cc(-c3ccccc3)ncn2)C1)c1ccccc1 390827142 FCPWOOHLDBZNGM-UHFFFAOYSA-N 358.445 3.633 0 40 FHAB CC(C)Oc1ccc(CN2CCn3c(nnc3C(F)F)C2)cc1Cl 580391686 MBDKRLZGRYEGCS-UHFFFAOYSA-N 356.804 3.672 0 40 FHAB Cc1cccc2c1nc1n2[C@@H](CNCc2cnc3ccccc3c2)COC1 1772595172 WSLCVVOLUQJQBE-SFHVURJKSA-N 358.445 3.754 0 40 FHAB Cc1ccc(NC(=O)COc2ccc(Br)cc2C=O)c(C)c1 5871779 SYUATYUDSMTLTM-UHFFFAOYSA-N 362.223 3.896 0 40 FHAB C[C@@]1([C@]2(C)NN=C(c3ccccc3)S2)NN=C(c2ccccc2)S1 5359711 DFKBKQAGOIUZMD-QZTJIDSGSA-N 354.504 3.815 0 40 FHAB O=C(COc1ccccc1Cl)Nc1ccccc1C(=O)N1CCCC1 13995891 RDYKZGWOFCWASV-UHFFFAOYSA-N 358.825 3.594 0 40 FHAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)NC(C)C 14013611 LVNKXCZDRHALFK-IBGZPJMESA-N 354.450 3.929 0 40 FHAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc(C)cc3)cc21 17286583 XCCMXQMLGRKBDJ-UHFFFAOYSA-N 372.490 3.740 0 40 FHAB Cc1ccn(CCC(=O)N2CCC(c3cc4c(C)cccc4cn3)CC2)n1 19236688 XAKDBTYKPHTFQD-UHFFFAOYSA-N 362.477 3.844 0 40 FHAB Cc1nn(C)cc1[C@H](C)NC(=O)c1c(-c2ccccc2Cl)noc1C 19666681 WXVTYGHWTSEDIV-JTQLQIEISA-N 358.829 3.836 0 40 FHAB O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)NCc1ccccc1 19928238 YNYOYKZRDMPSER-UHFFFAOYSA-N 358.854 3.534 0 40 FHAB O=C1COC2(CCN(Cc3ccc(Cl)cc3)CC2)CN1c1ccccc1 1203919664 HZPYDKSETCLFMC-UHFFFAOYSA-N 370.880 3.738 0 40 FHAB Cn1nccc1-c1ccc(CCNC(=O)c2nc3ccccc3s2)cc1 1889300385 JNJFCQCILUESEL-UHFFFAOYSA-N 362.458 3.669 0 40 FHAB C[C@H](NCCS(=O)(=O)c1ccc(Br)cc1)c1cccs1 14169117 FQYPBXHVPSBASF-NSHDSACASA-N 374.325 3.635 0 40 FHAB O=C(CSc1ccc(-c2ccc3c(c2)OCO3)nn1)c1ccc(F)cc1 4356668 GHRCYSFJCXNUGA-UHFFFAOYSA-N 368.389 3.986 0 40 FHAB COc1cccc(-c2nnc(NC(=O)Cc3ccc(SC)cc3)o2)c1 9565206 GFAARDFMKSPTRQ-UHFFFAOYSA-N 355.419 3.648 0 40 FHAB O=C(Cn1ccc2ccccc21)N1CCC(Cn2cnc3ccccc32)CC1 38533575 DDFZELBSDQIARD-UHFFFAOYSA-N 372.472 3.930 0 40 FHAB O=C(c1ccc(Br)o1)N1CC[C@H](c2ccc3c(c2)CCO3)C1 585149063 TXBHSJOLSHRJNT-ZDUSSCGKSA-N 362.223 3.607 0 40 FHAB COc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)n2)cc1 9320931 JGPFMGXDYHLFIC-MRXNPFEDSA-N 363.417 3.883 0 40 FHAB C[C@H](C1CC1)N(C)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 40105019 DUCMKMOLZKGEJZ-CYBMUJFWSA-N 350.484 3.665 0 40 FHAB C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]12 101136514 TZAFNFPJXKADMZ-GVAFMPQTSA-N 371.742 3.582 0 40 FHAB CC(C)C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1nnc2ccccn12 20744966 YSTXEYUSGFGZRY-GOSISDBHSA-N 361.449 3.657 0 40 FHAB Cc1ccc(CN2C[C@H](C(=O)Nc3c(C)cccc3Cl)CC2=O)cc1 32622065 GNPYYWKQXIDDNB-MRXNPFEDSA-N 356.853 3.944 0 40 FHAB O=C(COc1cccc2c1CCC[C@@H]2O)Nc1ccc(OC(F)F)cc1 32691362 WRLBJQBUIWDAOV-INIZCTEOSA-N 363.360 3.675 0 40 FHAB Cn1c(=O)n(C[C@H](O)Cn2c3ccccc3c3ccccc32)c2ccccc21 32760072 WRDXCPDZMJLDQH-MRXNPFEDSA-N 371.440 3.509 0 40 FHAB CCS(=O)(=O)c1ccc(NC(=O)c2cc3ccc(F)cc3nc2C)cc1 21694918 WFFVJOGQSWQEHC-UHFFFAOYSA-N 372.421 3.728 0 40 FHAB Cc1cc(Br)oc1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 52667443 FEOCLHBTNCZDCD-ZDUSSCGKSA-N 363.255 3.607 0 40 FHAB C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)n1cnc2ccccc21 32914248 ALUNRTGATXIWAP-ZDUSSCGKSA-N 350.447 3.866 0 40 FHAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cc2ccccc2oc1=O 32902666 RYBKQUHQMRMTKU-SFHVURJKSA-N 350.418 3.889 0 40 FHAB CN(C(=O)CCc1nc(-c2ccsc2)no1)[C@H]1CCc2ccccc21 32905681 VDDAGMIQOFGLJF-INIZCTEOSA-N 353.447 3.877 0 40 FHAB CCN(CC)c1ccc(-c2nnc(SCc3ccn(C)c(=O)c3)o2)cc1 53553694 XTCGPZGNXUUUEH-UHFFFAOYSA-N 370.478 3.574 0 40 FHAB CCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1 849409 IVQAWETTYXNNHN-UHFFFAOYSA-N 360.841 3.828 0 40 FHAB Cc1noc(C2CCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)n1 54665437 BZACTSQJMYQKDT-UHFFFAOYSA-N 355.369 3.797 0 40 FHAB Cc1cc(C(=O)NCc2cccc(F)c2)c2cnn(C3CCCC3)c2n1 71289162 DFVNRVNDGGJOTC-UHFFFAOYSA-N 352.413 3.924 0 40 FHAB O=C(OCc1csc(-c2ccccc2)n1)c1ccc2c(c1)OCCO2 3276053 UNJWUPJPDCMEOY-UHFFFAOYSA-N 353.399 3.938 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc23)c1 4130144 VGIWRJTZNBWWFL-UHFFFAOYSA-N 367.409 3.684 0 40 FHAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(OC)cc1)O[C@H](C)C2 12586870 VBTPMBVOKVPRKW-ZIAGYGMSSA-N 370.449 3.856 0 40 FHAB COc1cc(NC(=O)c2cc(-c3ccc(O)cc3)on2)c(OC)cc1Cl 4880662 UNBMOOWMTIGTIL-UHFFFAOYSA-N 374.780 3.970 0 40 FHAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)C2)n1 4967688 ZNDGILXDPUWKJQ-OAHLLOKOSA-N 358.873 3.910 0 40 FHAB COc1ccc(OC)c(NC(=O)COCc2cc(-c3cccs3)on2)c1 6876548 HOIVRBVOWZJHMV-UHFFFAOYSA-N 374.418 3.576 0 40 FHAB CCOc1ccc2nc(NC(=O)c3cc(=O)[nH]c4ccccc34)sc2c1 7725304 YTCRWWKOUHZCPH-UHFFFAOYSA-N 365.414 3.789 0 40 FHAB COc1ccc2cc(COC(=O)c3ccc4c(c3)OCO4)c(Cl)nc2c1 7735704 BZTVXOOYXMYGTG-UHFFFAOYSA-N 371.776 3.983 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1C[C@@H](C)O[C@H](C)C1 35380155 KZLBUNHDVGQCJK-LZJOCLMNSA-N 368.477 3.793 0 40 FHAB CCOC(=O)Nc1cccc(C(=O)N2CCN(c3cccc(C)c3)CC2)c1 12534472 YLDPMXYTORYWNB-UHFFFAOYSA-N 367.449 3.526 0 40 FHAB CCCCn1c(=O)c(C(=O)Nc2ccccc2F)c(O)c2ccccc21 100498451 HMVQWQWQYXZBCW-UHFFFAOYSA-N 354.381 3.899 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)c1cccc(NC(=O)CCC(=O)O)c1 8434630 VLIJUYHUPVJYAR-UHFFFAOYSA-N 360.797 3.704 0 40 FHAB O=C(CN(c1ccccc1)c1n[nH]c(=S)s1)NCc1ccccc1 8436046 RXMCHAZZHZCNLD-UHFFFAOYSA-N 356.476 3.655 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1sc(C)nc1C 10143644 WJTWJEPYSBUQHQ-UHFFFAOYSA-N 368.842 3.526 0 40 FHAB CCOC(=O)N[C@@H]1CCCN(Cc2nc3ccccc3c(C)c2Cl)C1 58357774 SNTHEXYPZHTQAO-CQSZACIVSA-N 361.873 3.907 0 40 FHAB CC(=O)C1=NN(c2ccccc2)[C@H](c2ccc3c(c2)OCO3)N1C(C)(C)C 2254899 FCQGWLQZXJZBMS-HXUWFJFHSA-N 365.433 3.937 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)CSCc1nc(-c2cccs2)no1 36398621 YVZOFAFNWLIFJW-VXGBXAGGSA-N 351.497 3.726 0 40 FHAB C[C@H](c1ccc(F)cc1)N(C)C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 59037567 BSKAIARXZVXRLD-OAHLLOKOSA-N 367.424 3.524 0 40 FHAB O=C(NC1CCN(C(=O)c2ccco2)CC1)c1cc(Cl)sc1Cl 11529585 ZPYZPIFQRAFEJG-UHFFFAOYSA-N 373.261 3.683 0 40 FHAB CC(C)n1c(CNC(=O)CCc2ccc3c(c2)CCO3)nc2ccccc21 95476419 XXOOVIMOHZEPLE-UHFFFAOYSA-N 363.461 3.801 0 40 FHAB C[C@@H](NC(=O)N(Cc1ccccc1Br)C1CC1)[C@H]1CCCO1 46970899 MUXYWUIFEFEFHY-MLGOLLRUSA-N 367.287 3.691 0 40 FHAB COc1cccc(NC(=O)CSc2nnc(-c3cccc(C)c3)[nH]2)c1 107772759 HVTHYMWUBYDIGR-UHFFFAOYSA-N 354.435 3.520 0 40 FHAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Cn1ccc(C(F)(F)F)n1 58649304 GUHSGCDJSUURPR-ZDUSSCGKSA-N 351.372 3.729 0 40 FHAB Cc1ccc(C(C)C)c(OCC(=O)OCC(=O)N[C@H](C)c2ccccc2)c1 3228427 OLOHVZASINLZOC-QGZVFWFLSA-N 369.461 3.918 0 40 FHAB Cc1nnc([C@H](C)Sc2nnc(S[C@H](C)c3nnc(C)o3)s2)o1 48186803 VYHIPIOWDMJGGL-OLQVQODUSA-N 370.485 3.628 0 40 FHAB CCCc1c(C(=O)N2CCN(c3cccc(C)c3)CC2)[nH]c(C)c1C(C)=O 48293600 SZRHIFASCHEYTQ-UHFFFAOYSA-N 367.493 3.749 0 40 FHAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1OC 12757467 JVOSJLVZLRWTFZ-QGZVFWFLSA-N 361.463 3.538 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)N[C@@H](C)c3cccc(Cl)c3)CC2=O)cc1 12787193 CEPINYPNQJOEHX-GOEBONIOSA-N 356.853 3.879 0 40 FHAB O=S(=O)(N1CCCCC1)N(Cc1cccs1)Cc1cccs1 22843327 OCWZMJCLTNHOFK-UHFFFAOYSA-N 356.538 3.543 0 40 FHAB CCCn1cc(-c2cc(O)n3nc(-c4ccccc4OC)c(C)c3n2)cn1 100733070 UQQCBRJFRSFMSF-UHFFFAOYSA-N 363.421 3.692 0 40 FHAB Cc1cc(C(=O)CCC(=O)N2CCN(c3ccccc3F)CC2)c(C)s1 3414505 YAVOBLUYLOMSCR-UHFFFAOYSA-N 374.481 3.816 0 40 FHAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2nc3ccccc3s2)C1=O 3592557 ZGVCHENFDOBKNW-GOSISDBHSA-N 371.849 3.917 0 40 FHAB CC(=O)Nc1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 6085575 RRPKYHFYSFSFLP-UHFFFAOYSA-N 353.205 3.969 0 40 FHAB Cn1c(SCc2cc(=O)c3cccc(F)c3[nH]2)nnc1-c1ccccc1 21099115 WOFKDASUJCOBCW-UHFFFAOYSA-N 366.421 3.755 0 40 FHAB COc1cccc([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)OC3)c1 5265931 AZSSQBVWHKRTDC-INIZCTEOSA-N 369.804 3.680 0 40 FHAB O=S(=O)(NCC1(c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 14098524 TZBJNQAESAEBGF-UHFFFAOYSA-N 355.381 3.716 0 40 FHAB COc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)o1 6462814 LXELWHFQAQEDJC-SNVBAGLBSA-N 361.448 3.926 0 40 FHAB COc1cccc(-n2c(C)nnc2SCC(=O)NC2CCCCCC2)c1 9379185 HDACIKYXEOLGIG-UHFFFAOYSA-N 374.510 3.515 0 40 FHAB COc1ccc(CC(=O)Nc2nn(C)c3nc4cc(C)ccc4cc23)cc1 5478263 NSFWNRJQHIJBAG-UHFFFAOYSA-N 360.417 3.620 0 40 FHAB Cc1ccc(NC(=O)[C@H](Sc2nnc(C)n2C)c2ccccc2)cc1 6510703 PJKBPJWSDXESPN-QGZVFWFLSA-N 352.463 3.904 0 40 FHAB Cc1sc(NC(=O)c2ccco2)nc1-c1ccc2c(c1)NC(=O)[C@H](C)O2 19796627 UWQSNXBAJXJCST-VIFPVBQESA-N 369.402 3.683 0 40 FHAB COC(=O)c1cccc(NC(=O)CCCSc2nc3ccccc3[nH]2)c1 14788417 PYTBFNYWSVCMJL-UHFFFAOYSA-N 369.446 3.861 0 40 FHAB C[C@H](NCC1(c2ccc(F)cc2)CCOCC1)c1nc(C(C)(C)C)no1 66390338 ANCIWKSEIVPEBZ-AWEZNQCLSA-N 361.461 3.905 0 40 FHAB CCOc1ccc(C(=O)CSc2nnnn2-c2ccc(C)cc2C)cc1 4768140 AGMDTSHDYUCAFA-UHFFFAOYSA-N 368.462 3.653 0 40 FHAB Cc1c(C)n(CCc2ccccc2)c2ncnc(NCCCN(C)C)c12 6760404 RHMNEXKZSZPUMG-UHFFFAOYSA-N 351.498 3.654 0 40 FHAB O=C(CCc1nc2ccccc2o1)Nc1nc(-c2ccccn2)cs1 6822567 NTWAZHLZKXOIQU-UHFFFAOYSA-N 350.403 3.918 0 40 FHAB Cc1ccc(CN(C(=O)Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222749106 OQKSPDIPBFGRAQ-GOSISDBHSA-N 366.505 3.870 0 40 FHAB O=C(NCc1ccc(Cl)s1)N1CCO[C@@H](c2ccccc2F)C1 67041964 SIJQZLVACSXCEO-CQSZACIVSA-N 354.834 3.824 0 40 FHAB CCn1c(SCC(=O)Nc2ccc(N3CCCC3)cc2)nnc1C1CC1 7189752 DUMNSGQPVFJUOJ-UHFFFAOYSA-N 371.510 3.506 0 40 FHAB CSc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccc2c(c1)OCO2 7664704 FNQZRSFFGMISFI-CYBMUJFWSA-N 358.463 3.596 0 40 FHAB COC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)c(C)c1 7735471 REMXPDWSKVOQEQ-UHFFFAOYSA-N 353.447 3.816 0 40 FHAB O=C(CSc1nnnn1C1CCCC1)Nc1cccc2ccccc12 8341529 KIMICKKZJWLLPJ-UHFFFAOYSA-N 353.451 3.672 0 40 FHAB Cc1cccc(NC(=S)NC(=N)Nc2nc(C)c3ccccc3n2)c1 17197834 SNVZRLGLGQEUGW-UHFFFAOYSA-N 350.451 3.580 0 40 FHAB aggregator C[C@H](NC(=O)CCSc1ccccc1)c1ccc(-n2cncn2)cc1 8775847 NDQWEOJNHROYCA-HNNXBMFYSA-N 352.463 3.627 0 40 FHAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(C2SCCCS2)c1 18708301 SCIXOAACDKJXRP-UHFFFAOYSA-N 369.537 3.696 0 40 FHAB COc1ccc2cc(CNC(=O)c3cccc(OC)c3OC)ccc2c1 9872842 VAERXKIFAIFLOK-UHFFFAOYSA-N 351.402 3.796 0 40 FHAB Cc1cccc(NC(=O)c2sc(-c3ccsc3)nc2C)c1C(N)=O 84213293 ZPNSHTYIDNYKMQ-UHFFFAOYSA-N 357.460 3.840 0 40 FHAB COc1cccc2c1ccn2CC(=O)NCCc1c[nH]c2ccc(F)cc12 72402467 ULYOBYFNMWBHBZ-UHFFFAOYSA-N 365.408 3.629 0 40 FHAB COc1cc(C)ccc1OCC(=O)Nc1c(C)cnn1-c1ccccc1 84563217 ULYQHNXKSMWQLG-UHFFFAOYSA-N 351.406 3.515 0 40 FHAB Cc1nn(C)c(C)c1CCNC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 95349620 TWOXGGWCJWWYPQ-HOTGVXAUSA-N 365.399 3.518 0 40 FHAB O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2CN(Cc3ccoc3)C[C@H]21 306130690 JNAYRQDIYAATRT-PKOBYXMFSA-N 371.483 3.763 0 40 FHAB O=S(=O)(NC[C@H](O)c1ccc(-c2ccsc2)s1)c1cccs1 675008378 VDCGDEYYQKVAKQ-NSHDSACASA-N 371.530 3.550 0 40 FHAB CN(CC1CCCCC1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 29289881 ZJTCBXWZMUERKG-UHFFFAOYSA-N 357.498 3.969 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1C 30850864 OFRPUZZWKDPJNS-INIZCTEOSA-N 354.450 3.849 0 40 FHAB COc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1 38752071 SMHZFDUFWBLJKG-AWEZNQCLSA-N 370.449 3.630 0 40 FHAB Cc1cc(NC(=O)N[C@@]23C[C@@H]2COC3(C)C)nn1-c1cccc(Cl)c1 529051084 LYXCZXZETBBWSC-XIKOKIGWSA-N 360.845 3.523 0 40 FHAB CC(=O)c1nnc(-c2ccccc2)n1Nc1ccc(Br)cc1 36649172 YFTAERGSPJPVLM-UHFFFAOYSA-N 357.211 3.785 0 40 FHAB O=c1c2c(n(Cc3cccc(Cl)c3)c(=O)n1C1CCCCC1)CCC2 32603853 XGQSTSKZXDGIRW-UHFFFAOYSA-N 358.869 3.706 0 40 FHAB CC(C)Cc1nc(NC(=O)[C@H](C)c2ccc(C[C@@H]3CCCC3=O)cc2)n[nH]1 79495308 HEZJWYLPZNHZIZ-PBHICJAKSA-N 368.481 3.657 0 40 FHAB COC(=O)c1ccccc1-c1nc(-c2ccccc2Br)no1 78401102 KSZRPODLXRAKIK-UHFFFAOYSA-N 359.179 3.953 0 40 FHAB O=C(O[C@@H](C(=O)NCCc1ccccc1)c1ccccc1F)c1ccco1 35289200 WTPVKKNQFYXDMG-LJQANCHMSA-N 367.376 3.676 0 40 FHAB Cc1cc(C)cc(-n2cc(C(=O)NCc3ccccc3C(F)(F)F)nn2)c1 71326411 MOVQWGQLMRZRKE-UHFFFAOYSA-N 374.366 3.833 0 40 FHAB COc1ccc(OC)c(NC(=O)CCc2nc(-c3cccc(C)c3)no2)c1 225814074 RJJQXXCMAGJHME-UHFFFAOYSA-N 367.405 3.634 0 40 FHAB Cc1ccc(-c2nc(C)c(C(=O)N(CC(N)=O)C3CCCC3)s2)c(C)c1 63646491 XYDNQFQUTUVDTH-UHFFFAOYSA-N 371.506 3.605 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=S)NCCCOC2CCCC2)c1 225620226 ZPGJWGNLDSPVBK-UHFFFAOYSA-N 364.511 3.807 0 40 FHAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc[nH]2)c1 224519907 FAAKWUMJNLCXIZ-MSOLQXFVSA-N 350.447 3.595 0 40 FHAB CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 580875989 QJOSGOKVFUDBLI-PSBWJHGTSA-N 364.449 3.548 0 40 FHAB O=C1CC[C@@]2(CCCN(Cc3ccccn3)CC2)N1Cc1cccc(F)c1 96047556 ZUOJPDCCVWNXPH-JOCHJYFZSA-N 367.468 3.768 0 40 FHAB Cc1csc(Nc2cccc(C3CCN(Cc4ncc[nH]4)CC3)n2)n1 257319086 VQQVMRTVSTXIKZ-UHFFFAOYSA-N 354.483 3.693 0 40 FHAB Cc1cc(-c2cnc(C)n2C)nc([C@@H]2CCCCN2C(=O)C(C)(C)C)n1 257232845 GMRCEUNZRLFEGV-INIZCTEOSA-N 355.486 3.594 0 40 FHAB CC(C)n1nccc1-c1cc(CC2CCN(C(=O)C(C)(C)C)CC2)ncn1 257339794 ZDFHIPSEPKJEEE-UHFFFAOYSA-N 369.513 3.748 0 40 FHAB O=C(c1ccc([C@H]2CCCOC2)cc1)N1CCOc2c(F)ccc(F)c21 650778740 AWLSGRPXKXYWRN-HNNXBMFYSA-N 359.372 3.898 0 40 FHAB CC1(C)C[C@@]2(CCCN2C(=O)CN2CCCCC2)CN1c1ccc(F)cc1 1615157950 OYTTWEZMLMRRAJ-QFIPXVFZSA-N 373.516 3.662 0 40 FHAB Cc1nc([C@H](Cc2ccsc2)NC(=O)CCn2ccnc2C)sc1C 12087901 QSJUVXWFVLNSEU-INIZCTEOSA-N 374.535 3.817 0 40 FHAB c1ccc(CN2CCc3c(nc(-c4ccccn4)nc3N3CCCC3)C2)cc1 12123171 QRHNKZMIZBAIGK-UHFFFAOYSA-N 371.488 3.697 0 40 FHAB Cn1cc(CN2CCC(O)(c3ccccc3F)CC2)c2cc(F)ccc21 12240496 LROYTZBGBJYNSD-UHFFFAOYSA-N 356.416 3.940 0 40 FHAB O[C@H](CN1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2)c1ccccc1 12293328 OSRVTZRKUNSAPD-RTBURBONSA-N 373.880 3.724 0 40 FHAB Cc1cc2occ(CC(=O)N(C)CC(=O)Nc3ccc(F)cc3)c2cc1C 12910737 LZOQVTWQHCHWNP-UHFFFAOYSA-N 368.408 3.828 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(C)c1 14396974 MOEOOQKUDBTBSH-JKSUJKDBSA-N 354.450 3.929 0 40 FHAB Cc1ccc([C@@H](NC(=O)CCCN2CCCC2)c2ccncc2)cc1C 19213524 DXVOLAFJBRDXFN-QFIPXVFZSA-N 351.494 3.780 0 40 FHAB Fc1ccc(CNc2ncc(-c3cnccn3)c([C@@H]3CCCO3)n2)cc1 19334757 QMKUQPBBLCNWDP-KRWDZBQOSA-N 351.385 3.536 0 40 FHAB CCc1cc(C(=O)N2CCC(c3nnc(-c4ccccn4)o3)CC2)cs1 19522117 PBMDWKYFOHANIG-UHFFFAOYSA-N 368.462 3.775 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc(-c2ccccc2)[nH]c1=O 19937244 HVNVPWJJDMMHGQ-UHFFFAOYSA-N 359.307 3.708 0 40 FHAB Cc1ccsc1C(=O)OCc1cc2c(cc1Br)OCO2 5216502 LTYHPUBFQQEERX-UHFFFAOYSA-N 355.209 3.905 0 40 FHAB O=C(NC[C@@](O)(c1ccsc1)c1cccs1)Nc1cccs1 238820604 COFAWWGLUAOOQV-OAHLLOKOSA-N 350.490 3.929 0 40 FHAB CCCc1nnsc1C(=O)Nc1ccccc1-c1cn2c(n1)SCC2 245108412 SWGOXUMWXYNTRX-UHFFFAOYSA-N 371.491 3.712 0 40 FHAB CC[C@@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 408997799 IGENNIQAVPWNOE-DYVFJYSZSA-N 359.470 3.518 0 40 FHAB O=C(OCCF)N1CCC([C@H]2CCCCN2Cc2cccc(F)c2)CC1 2056225551 QQXBWCPMAHUSHD-LJQANCHMSA-N 366.452 3.998 0 40 FHAB COc1ccc(N2C[C@H](NC(=O)Nc3ccc(C(C)C)cc3)CC2=O)cc1 4479594 YXENHBMKOCJWJW-QGZVFWFLSA-N 367.449 3.746 0 40 FHAB CCOC(=O)c1cnc2c(OC)nccc2c1Nc1ccc(OC)cc1 4709500 PGRUQLXCMZYCPE-UHFFFAOYSA-N 353.378 3.567 0 40 FHAB CCCCN1C(=O)CCc2cc(NC(=O)Cc3ccc(OC)cc3)ccc21 9136645 DRXDXPKLYHXCIC-UHFFFAOYSA-N 366.461 3.956 0 40 FHAB Cc1ccc(NC(=O)Nc2nc(C(=O)NCc3ccco3)cs2)cc1 9317795 RUXMUEITUSGMIA-UHFFFAOYSA-N 356.407 3.619 0 40 FHAB O=C(NCc1ccccn1)c1csc2nc(-c3ccc(F)cc3)cn12 11902158 DWCDJXZZJHPJQF-UHFFFAOYSA-N 352.394 3.527 0 40 FHAB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1C1CCCC1 12445249 CCCNHXGRBLWBAV-UNOMPAQXSA-N 363.486 3.990 0 40 FHAB O=C(NCc1ccc(C(=O)c2ccco2)s1)Nc1ccc2c(c1)OCO2 211082853 NPLXHWMANIAILI-UHFFFAOYSA-N 370.386 3.623 0 40 FHAB O=C(Cn1cnc2c(sc3ccccc32)c1=O)Nc1ccccc1Cl 45942804 SYPVRJJTYYKRCV-UHFFFAOYSA-N 369.833 3.903 0 40 FHAB O=C(CCc1c[nH]c2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1 20623416 ZLSKENBMIBESKY-RMKNXTFCSA-N 373.500 3.958 0 40 FHAB CC1CCN(C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)CC1 21003206 YOGRSQUYPQDVIL-HXUWFJFHSA-N 350.462 3.806 0 40 FHAB Cc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4C)CC3)n[nH]2)cc1 22229371 AIKSQNMCJQGZAV-UHFFFAOYSA-N 360.461 3.656 0 40 FHAB NC(=O)N[C@@H](CC(=O)Nc1cccc2ncccc12)c1ccccc1Cl 22411267 MNNWQULGQIUQTR-KRWDZBQOSA-N 368.824 3.626 0 40 FHAB CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccc(N)cc1 624535 DLJUORPURRVFPR-UHFFFAOYSA-N 367.478 3.586 0 40 FHAB O=C(CSC1=Nc2ccccc2CS1)NC[C@@H]1Cc2ccccc2O1 53615322 SDQDYHCIKBLUGO-HNNXBMFYSA-N 370.499 3.774 0 40 FHAB CCn1c(C)c(C(C)=O)c2cc(OC[C@H](O)CNC3CCCCC3)ccc21 12421963 YDVLWGQVXVQCMC-GOSISDBHSA-N 372.509 3.834 0 40 FHAB O=C(N[C@@H](Nc1nccs1)C(Cl)(Cl)Cl)c1ccccc1 1013804 OGXMPKWNIAVMDA-JTQLQIEISA-N 350.658 3.681 0 40 FHAB CCOc1ccccc1N1C(=O)C(=O)N(Cc2ccc(C(C)C)cc2)C1=O 24754842 IEFDZYNBHRKATA-UHFFFAOYSA-N 366.417 3.704 0 40 FHAB Cc1[nH]c2ccccc2c1CC(=O)NCc1ccc(Cn2cccn2)cc1 24879768 PKIXGVYDWTWUCT-UHFFFAOYSA-N 358.445 3.580 0 40 FHAB CCCCOc1ccc(C(=O)OCC(=O)Nc2ccccc2OC)cc1 3465160 BCASZCQJLDFXQY-UHFFFAOYSA-N 357.406 3.670 0 40 FHAB CC(C)NC(=O)c1ccc(NC(=O)c2cccnc2SC(C)C)cc1 55756759 DCPZDLCWYTVZRA-UHFFFAOYSA-N 357.479 3.973 0 40 FHAB C[C@@H](NC(=O)COC(=O)C1CCCCC1)c1ccc(Br)cc1 6376524 NKBXXKCBFMQKMD-GFCCVEGCSA-N 368.271 3.750 0 40 FHAB Cc1nc(NC(=O)c2cccc(Cl)c2)ccc1I 6960216 UDHXYSJYZWXJBS-UHFFFAOYSA-N 372.593 3.900 0 40 FHAB Cc1ccc(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 7875113 OCOTYSAZZRXNIN-UHFFFAOYSA-N 352.434 3.574 0 40 FHAB CCc1ccc(OC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)cc1 7928757 GEOGUWDGIWPSGT-CQSZACIVSA-N 373.836 3.870 0 40 FHAB CCc1ccc(NC(=O)COc2cc(C)nc(N3CCCCCC3)n2)cc1 44170030 MEHZWWSSXZNUPN-UHFFFAOYSA-N 368.481 3.745 0 40 FHAB CSc1ccc(CNC(=O)c2cn(-c3ccccc3Cl)nn2)cc1 44167792 FMGGVLTYJWSVJW-UHFFFAOYSA-N 358.854 3.573 0 40 FHAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)N(CC)CC 8478613 IEIAMQHLRLHNEW-IBGZPJMESA-N 354.450 3.965 0 40 FHAB Cc1ccc(-c2nc(C(=O)O)nn2-c2ccc(Br)cc2)cc1 8730819 AHINRRKNIXZDSR-UHFFFAOYSA-N 358.195 3.703 0 40 FHAB CN(CC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1)Cc1ccco1 8935752 BYPUGQDEGKVVFE-HXUWFJFHSA-N 362.429 3.878 0 40 FHAB CCOC(=O)c1cnn(-c2ccc(C(=O)N(CC)[C@@H](C)C(C)C)cc2)c1C 58017306 AONFSQVHWATSGJ-HNNXBMFYSA-N 371.481 3.864 0 40 FHAB COc1cccc(COCC(=O)NCC2(N3CCCCC3)CCCCC2)c1 58136236 WRAVPRVXEDNTEB-UHFFFAOYSA-N 374.525 3.517 0 40 FHAB O=C(Nc1ccc(NC(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1)c1ccco1 58162481 DAUFPOOIZDBSLQ-IRXDYDNUSA-N 369.421 3.707 0 40 FHAB CN(CC(=O)c1ccc(I)cc1)Cc1ccccc1 59857510 OPXXIVMLSPAKJF-UHFFFAOYSA-N 365.214 3.606 0 40 FHAB CC1(C)C[C@H](NC(=O)NC(C)(C)C)C[C@](C)(CNC(=O)NC(C)(C)C)C1 59461409 FKYQCOPNELIKSR-XOBRGWDASA-N 368.566 3.767 0 40 FHAB NC(=O)Nc1cccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1 11075030 BJAUNOXMVUOXSQ-UHFFFAOYSA-N 360.417 3.588 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cc(Cl)c3oc(=O)sc3c2)cc1 2493404 GPWLHSOBRKSHBX-UHFFFAOYSA-N 355.824 3.617 0 40 FHAB O=C(c1c(F)cccc1F)N1CCN(Cc2ccc(Cl)s2)CC1 29921667 OLHMYPSXDMPRAE-UHFFFAOYSA-N 356.825 3.638 0 40 FHAB CC(C)n1cc(C(=O)N2[C@H](COc3ccc(F)cc3)[C@@H]3CC[C@@H]2C3)cn1 100113114 SIZLQLKLMQSUJX-LSBZLQRGSA-N 357.429 3.675 0 40 FHAB Cc1cc(C)n2c(SCC(=O)Nc3ccc(C(C)(C)C)cc3)nnc2n1 3272258 RPMWLQGLXZDIKX-UHFFFAOYSA-N 369.494 3.769 0 40 FHAB O=C(COC(=O)c1c(F)cccc1Cl)N[C@@H]1CCCc2ccccc21 3399875 HXZPNTUFQKUBGE-MRXNPFEDSA-N 361.800 3.830 0 40 FHAB CC(C)OCc1ccc(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 48342620 DCTIWUMUYRMBKQ-IBGZPJMESA-N 359.853 3.885 0 40 FHAB CN(C)[C@@H](CNC(=O)c1cc(Br)ccc1Cl)c1ccco1 3491255 LHQNNFQZLGCNMC-ZDUSSCGKSA-N 371.662 3.728 0 40 FHAB O=C(COc1ccc(Cl)cc1Br)NCc1ccccc1 3510424 QHEQDXXQNBSOAN-UHFFFAOYSA-N 354.631 3.798 0 40 FHAB CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)NC1=S 3662929 BDNYDYSGFVVBJN-AQTBWJFISA-N 352.459 3.733 0 40 FHAB O=C(NN1CCCCC1)c1cc(-c2cccs2)nn1-c1ccccc1 9114821 LZPCDNCMRWCIRR-UHFFFAOYSA-N 352.463 3.732 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 4385187 YWTQOYAIYPRXSX-AWEZNQCLSA-N 372.852 3.957 0 40 FHAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2cccc(Cl)c2Cl)n1 6313746 QZKGRJDDHYHGBK-UHFFFAOYSA-N 372.277 3.760 0 40 FHAB NC(=O)c1cccc(N[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1 9339253 GBFSZYMYWKYCIW-LJQANCHMSA-N 363.392 3.717 0 40 FHAB Cc1ccc2nc(COC(=O)c3cc4c(s3)CCCCC4)cc(=O)n2c1 5428665 KCUYEXPHBUTAIZ-UHFFFAOYSA-N 368.458 3.690 0 40 FHAB Cc1cccc(N2N=C(C(=O)Nc3cccc(Cl)c3F)CCC2=O)c1 14935458 JRAMAYGOPRDJBJ-UHFFFAOYSA-N 359.788 3.909 0 40 FHAB O=C([C@H](Sc1nc2ccccc2o1)c1ccccc1)N1CCOCC1 6840781 WAAGAUSRSHKVIE-QGZVFWFLSA-N 354.431 3.520 0 40 FHAB O=c1c2ccccc2nc(SC[C@@H]2CCCO2)n1-c1ccccc1F 6990565 QPHFDWDEKYSLGV-ZDUSSCGKSA-N 356.422 3.796 0 40 FHAB O=c1c2sccc2n(Cc2ccc(F)cc2)c(=O)n1-c1ccccc1F 67258224 SWKLCKAHLKAYTB-UHFFFAOYSA-N 370.380 3.540 0 40 FHAB CC(=O)c1cccc(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)c1 5950589 MMHIJOXMFOJMMR-UHFFFAOYSA-N 355.818 3.502 0 40 FHAB C[C@H](Sc1nc2cc(S(=O)(=O)N(C)C)ccc2o1)c1ccccc1 7254169 VVDGZUYALCEWMT-LBPRGKRZSA-N 362.476 3.931 0 40 FHAB CCOc1cc2c(cc1/C=C/C(=O)Nc1ccc3c(c1)OCO3)O[C@@H](C)C2 7597945 WFOJSPRRAZKKRM-LVDDQXARSA-N 367.401 3.789 0 40 FHAB Cc1nnc(S[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)n1C1CC1 7617680 VNTVWEUGCNENDL-SJCJKPOMSA-N 356.495 3.596 0 40 FHAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)N(C)Cc1ccsc1 7731920 FPKHFNADPQOUHU-UHFFFAOYSA-N 370.430 3.527 0 40 FHAB CCOC(=O)c1sc(NC(=O)Cc2ccc(C(F)(F)F)cc2)nc1C 16469346 XPJBLRNZNFQWDS-UHFFFAOYSA-N 372.368 3.828 0 40 FHAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)C1 18129288 MXMJXVPQRCZEFW-TVFCKZIOSA-N 356.510 3.923 0 40 FHAB O=C(Nc1ccccc1N1CCCC1)c1ccc(-c2nnc(S)o2)cc1 95939770 BFWSOXSGWSADRQ-UHFFFAOYSA-N 366.446 3.878 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CC[C@H](C2CCN(C)CC2)C1 89644265 RFASCRIVTJIPDV-WBVHZDCISA-N 363.933 3.639 0 40 FHAB Cc1ccccc1OCCNc1cnn(-c2ccccc2)c(=O)c1Cl 89696794 ZEXLPTBVTMRXOO-UHFFFAOYSA-N 355.825 3.685 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)c1cc(S(C)(=O)=O)ccc1C 23681221 SRXUBINJUIJLDI-UHFFFAOYSA-N 367.854 3.621 0 40 FHAB CCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1cccc(OC)c1 38772468 ALTZNASRMFBTRC-MRXNPFEDSA-N 357.450 3.610 0 40 FHAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc3nsnc3c2)c1 32581077 RYBRCLSWXJVIGS-UHFFFAOYSA-N 360.826 3.946 0 40 FHAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccccc2)C1=O 409157033 PRKUJSJARFTSHV-LFIBNONCSA-N 366.442 3.978 0 40 FHAB CC(C)c1ncc(CN2C[C@H]3CCC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)cn1 72340446 RENMGUPXFFASRP-ZNLUXHQJSA-N 369.484 3.859 0 40 FHAB CCOc1ccc(CC(=O)OCC(=O)Nc2c(C)cccc2Cl)cc1 72333718 IIDQXJZSEBSFPT-UHFFFAOYSA-N 361.825 3.772 0 40 FHAB CC[C@@H](NC(=O)Cc1cc(C)ccc1C)c1ccc(S(C)(=O)=O)cc1 219277333 OYLSIUJZIILDJZ-LJQANCHMSA-N 359.491 3.517 0 40 FHAB CCOc1ccc(-c2cc3c(=O)n(Cc4ccc(F)cc4)ccn3n2)cc1 64977461 RPVWLGNFZALTSN-UHFFFAOYSA-N 363.392 3.749 0 40 FHAB COc1ccc2nc([C@H]3CCN(Cc4ccc(NC(C)=O)cc4)C3)[nH]c2c1 35446806 LJEMNKUVXMULAN-INIZCTEOSA-N 364.449 3.519 0 40 FHAB biogenic,in-vitro C[C@H]1Cc2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc2N1 78404035 DDYOXAUEGIFPCL-INIZCTEOSA-N 370.518 3.687 0 40 FHAB Cc1ccc(C)c(OCCOc2cccc(/C=C3/SC(=N)NC3=O)c2)c1 33419953 ZGRQCWWORNPAGI-LDADJPATSA-N 368.458 3.900 0 40 FHAB O=C(Nc1ccc(Cn2ccnc2)cn1)N1CC2(CCC2)c2ccccc21 562608133 VQFGFGMCPAXDPX-UHFFFAOYSA-N 359.433 3.800 0 40 FHAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1ccc(C(F)(F)F)cc1 225745266 SPGFPTRCRGSBKS-UHFFFAOYSA-N 360.335 3.967 0 40 FHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1nccs1 222727649 YEUFFKBZZZBQOU-HOTGVXAUSA-N 369.519 3.548 0 40 FHAB CCOc1ccc(CNC(=O)COc2cccc(C(F)(F)F)c2)cc1 225811973 VABNHVYOWUPXPU-UHFFFAOYSA-N 353.340 3.799 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)NCc2cccc(CN3CCCC3)c2)cc1 46374925 CMRNBHXEYXUJCT-GOSISDBHSA-N 352.478 3.675 0 40 FHAB Cc1cc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)ccc1F 223661970 AVQOCHHERFTMOQ-UHFFFAOYSA-N 365.470 3.789 0 40 FHAB CCOCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)c(C)n1 225900570 GRIOXWUZYFURDW-YWZLYKJASA-N 364.486 3.729 0 40 FHAB O=C(c1ccccn1)N1CCC[C@@]2(C[C@@H](Oc3ccc(Cl)cc3)CO2)C1 257303830 SIXIMHSKJTWMHV-YLJYHZDGSA-N 372.852 3.578 0 40 FHAB O=C(c1cncnc1)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257206301 BCTLNNSPEFTDJY-KRWDZBQOSA-N 368.824 3.686 0 40 FHAB Cc1ncsc1CN1CC[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 257335404 YJZQQRFAKPCWIZ-PMACEKPBSA-N 358.507 3.792 0 40 FHAB CC(C)CC(=O)N1CCC(c2n[nH]cc2C(=O)N2[C@@H](C)CCC[C@H]2C)CC1 257292652 QMLDYEFNCJHYKI-IYBDPMFKSA-N 374.529 3.565 0 40 FHAB O=C(CC1CCOCC1)N1CCC(Cc2cccc3cccnc23)CC1 257278818 ODTZVYAPYVREJL-UHFFFAOYSA-N 352.478 3.833 0 40 FHAB O=C(NC[C@@H]1CCCCN1Cc1cccc(C(=O)O)c1)Nc1ccccc1 263443622 FHAYFRXDSNFSDD-IBGZPJMESA-N 367.449 3.561 0 40 FHAB OC[C@H](CN[C@H](c1ccc(F)cc1)c1ncc[nH]1)c1ccc(Cl)cc1 672619769 DTSBQROMMLYXFY-MAUKXSAKSA-N 359.832 3.657 0 40 FHAB COc1cccc(CC(=O)NCC2(Sc3ccccc3)CCOCC2)c1 96119000 BGGKIMUCQOTNHQ-UHFFFAOYSA-N 371.502 3.695 0 40 FHAB COC[C@H]1CN(Cc2ccsc2)CC12CCN(Cc1ccncc1)CC2 585103239 NQDIHRQDSQUGKS-HXUWFJFHSA-N 371.550 3.504 0 40 FHAB O=C(NC1CC1)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 50446133 DNASGOBZANGSAY-ZDUSSCGKSA-N 372.852 3.731 0 40 FHAB Cc1cccc(OCCCCc2nc(CC(=O)NC3CCCCC3)no2)c1 109435262 ZMWQRPCPJZEYQM-UHFFFAOYSA-N 371.481 3.771 0 40 FHAB CCCNC(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 5018158 HVGVKWPORBCSIQ-UHFFFAOYSA-N 373.375 3.920 0 40 FHAB Cc1cc(C)n2nc(C(=O)NC3(c4cccc(F)c4)CCCC3)cc2n1 12143145 QSBICEFQZRDFIV-UHFFFAOYSA-N 352.413 3.685 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccccc1C 14009901 SEBWWQXHDKRYAN-SFHVURJKSA-N 354.450 3.931 0 40 FHAB CCc1ccc(N2C[C@H](C(=O)Nc3cccc4ncccc34)CC2=O)cc1 14791809 WYWGWABGPBXESW-MRXNPFEDSA-N 359.429 3.789 0 40 FHAB C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NCc1ccc(Cl)cc1 16827164 DKBBMJAZPRUDTF-LBPRGKRZSA-N 357.793 3.530 0 40 FHAB Cc1cc2nc([C@@H]3CCCCN3C(=O)CCn3nccc3C)[nH]c2cc1C 19238455 OUINQVAZIGTSLO-IBGZPJMESA-N 365.481 3.829 0 40 FHAB O=C(NC1CC1)c1cc([C@H]2CCCN(Cc3cccc(Cl)c3)C2)no1 19293407 VFTOTJPRLXVFMO-AWEZNQCLSA-N 359.857 3.600 0 40 FHAB Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)Nc2nc(C)cs2)c1 540209078 DQOVIIUNZGJIJH-MRXNPFEDSA-N 357.479 3.702 0 40 FHAB CCN1C(=O)CCc2cc(NC(=O)CCc3ccc(OC)cc3)ccc21 9827693 DHTBXSDUQXDLPM-UHFFFAOYSA-N 352.434 3.566 0 40 FHAB COc1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 15883222 NBRGWUNRWCUOLT-UHFFFAOYSA-N 368.820 3.811 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)NCc1cc(-c2ccc(F)cc2F)on1 16890856 MFUKCWPBHKYPHP-GFCCVEGCSA-N 358.344 3.704 0 40 FHAB CCOC(=O)N1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)cc1OC 6463596 LCFDWUSJFVKNSI-KPFFTGBYSA-N 363.454 3.528 0 40 FHAB biogenic Cn1ccnc1[C@@H](NC(=O)[C@H]1CCCc2ccccc21)c1ccccc1F 40059008 HOXASFDOAUNFRJ-PXNSSMCTSA-N 363.436 3.885 0 40 FHAB O=C(NCc1ccnc(Oc2ccccc2)c1)[C@@H]1COc2ccccc2C1 40106869 JUFQQOCVJSMXPA-SFHVURJKSA-N 360.413 3.741 0 40 FHAB O=C(NCc1ccccn1)c1csc(NCc2ccccc2Cl)n1 40283418 PJPXGGHMNUGUMX-UHFFFAOYSA-N 358.854 3.734 0 40 FHAB C[C@@H](NC(=O)CCCNC(=O)c1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 103360774 HUZDMXGSUNCYNT-OAOQPFQOSA-N 362.901 3.791 0 40 FHAB CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 24029815 LKXFLPSVFUYTDK-UHFFFAOYSA-N 359.253 3.686 0 40 FHAB CCOc1ccc(N2C[C@H](C(=O)Nc3cc(C)ccc3F)CC2=O)cc1 806787 PJNCQHKBZZPKGG-CQSZACIVSA-N 356.397 3.524 0 40 FHAB Cc1nc2ccc(NC(=O)C(=O)N[C@@H](C)c3cc4ccccc4o3)cc2o1 77804063 VWGNQWUWUVLWCS-NSHDSACASA-N 363.373 3.698 0 40 FHAB CCOc1ccccc1NC(=S)N1CCN(c2ccccc2F)CC1 1325655 LLFDWXWHUQDAFA-UHFFFAOYSA-N 359.470 3.743 0 40 FHAB Cc1ccc(C)c(SCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)c1 24837043 YQWLLEAEIUSFRY-UHFFFAOYSA-N 367.467 3.577 0 40 FHAB O=C(NC1CCC(C(F)(F)F)CC1)[C@@H]1CC(=O)N(C2CCCCCC2)C1 106736284 AROZMZSVEKHLEK-WLYUNCDWSA-N 374.447 3.795 0 40 FHAB Cc1nc2ccccc2n1CC(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 55946466 PSAUNNMCCLLIAD-TZIWHRDSSA-N 367.424 3.520 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@H](C)NCc1cccc(Cn2cccn2)c1 56207915 AFRALTQMHVWBAB-SFHVURJKSA-N 362.477 3.665 0 40 FHAB O=C(NCCSCc1ccco1)c1ccc(CN2CCCCC2)cc1 10691368 XLMOVSLMKKSTRO-UHFFFAOYSA-N 358.507 3.929 0 40 FHAB CCCCOc1cccc(NC(=O)c2coc(=O)c(Br)c2)c1 1782057 WNMISFKBYZYCGO-UHFFFAOYSA-N 366.211 3.834 0 40 FHAB CCc1ccc(-c2noc(CSc3nnnn3-c3ccccc3)n2)cc1 8287565 LWOLTKDFIIRHGP-UHFFFAOYSA-N 364.434 3.567 0 40 FHAB COc1ccc(NC(=O)CN(C)C(=O)c2cc3c(s2)CC[C@H](C)C3)cc1 8302998 VDCHPLSPMDXGPN-ZDUSSCGKSA-N 372.490 3.592 0 40 FHAB CCOC(=O)c1ccc(-c2ccc(CNn3c(CC)n[nH]c3=S)o2)cc1 8339276 RJZKOMNYDXELCA-UHFFFAOYSA-N 372.450 3.683 0 40 FHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2)cc1Cl 8414113 NKKZSQLMGWZKPA-UHFFFAOYSA-N 374.824 3.549 0 40 FHAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C2CC2)nc2ccccc12 12322258 SMXHAAZHXJDISF-NRFANRHFSA-N 374.440 3.626 0 40 FHAB CC(C)(C)c1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 12605092 QJZZNQOPEFNGPZ-UHFFFAOYSA-N 357.431 3.891 0 40 FHAB CCCCCNC(=O)NCCCc1nnc(SC)n1C1CCCC1 62582149 GYZNTZQHSJSHRS-UHFFFAOYSA-N 353.536 3.537 0 40 FHAB CC1CCC(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)CC1 12807494 BWAQHAMCGAJAGR-FMIVXFBMSA-N 354.494 3.633 0 40 FHAB Cn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccc(C(C)(C)C)cc1 3402237 ATMDSECCYTVXRL-UHFFFAOYSA-N 360.527 3.786 0 40 FHAB CCSc1nnc(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)s1 3546052 YSYZDACQPOGESR-UHFFFAOYSA-N 355.510 3.773 0 40 FHAB Cn1ccc(NC(=O)c2csc(-c3cc(Br)cs3)n2)n1 48723487 RINKXNGFXRQKQF-UHFFFAOYSA-N 369.269 3.620 0 40 FHAB COc1ccc(CN(C)C(=O)[C@@H](C)Oc2ccccc2Cl)cc1OC 22523758 GWDSIBLYBGJDNK-CYBMUJFWSA-N 363.841 3.783 0 40 FHAB Cc1ccc(Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)cc1C 71327721 PFSGYNCRGBKDPY-UHFFFAOYSA-N 366.442 3.531 0 40 FHAB CCCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 4188362 OTLUDXHDCJYXCB-MVJTYMMSSA-N 355.434 3.569 0 40 FHAB COc1ccccc1C(=O)OCC(=O)N1CC[C@@H](C)Sc2ccccc21 5078833 KYHWGEIWDXYNCM-CQSZACIVSA-N 371.458 3.770 0 40 FHAB Cc1nnc(S[C@@H](C)C(=O)N(C)Cc2ccccc2)n1-c1ccccc1 6109325 AKFWHXUOQDQQBT-HNNXBMFYSA-N 366.490 3.715 0 40 FHAB O=C(CCCOc1cccc(Cl)c1Cl)N1CCCN2CCC[C@@H]2C1 65610485 GJBZEENPRILFRO-CQSZACIVSA-N 371.308 3.849 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)Nc2nc3cc(F)c(F)cc3s2)c1C 65611046 GOGKKNUTCDCRBE-UHFFFAOYSA-N 365.361 3.558 0 40 FHAB CC(C)N(C(=O)CSc1nnc(NC2CC2)s1)C1CCCCC1 14162698 CWSYQGYTCXTHIC-UHFFFAOYSA-N 354.545 3.774 0 40 FHAB COc1cccc(CNCc2ccc(N3CCCC3=O)cc2)c1OC(C)C 14240808 DHCAJQRSYQPXLZ-UHFFFAOYSA-N 368.477 3.899 0 40 FHAB COc1cccc(CN/C(C)=C2\N=C(c3ccc(Cl)cc3)OC2=O)c1 5454747 FWULXKSNPCNSFG-ATVHPVEESA-N 356.809 3.673 0 40 FHAB COCc1c(C(=O)OCC(=O)N[C@H](C)C(C)C)sc2cccc(F)c12 5563730 FCCVRMBLHDHMOB-LLVKDONJSA-N 367.442 3.504 0 40 FHAB Cc1cc(C)n(-c2ccc(COC(=O)c3cnc4ccccc4n3)cc2)n1 6604773 SEULDUSDKXJPBW-UHFFFAOYSA-N 358.401 3.789 0 40 FHAB C[C@@H]1CCc2sc(C(=O)Nc3ccccc3N3CCOCC3)cc2C1 5689744 SLVCUXMZRMWMFO-CQSZACIVSA-N 356.491 3.962 0 40 FHAB Cc1ccc(C(=O)CCC(=O)N(C)Cc2ccc3c(c2)OCO3)cc1C 15136196 FAMGOULQKNEQJU-UHFFFAOYSA-N 353.418 3.654 0 40 FHAB C[C@H]1CCc2sc(-c3nnc(SCC(=O)NC(C)(C)C)o3)cc2C1 7129757 IVUIPGBWAOUVRG-JTQLQIEISA-N 365.524 3.930 0 40 FHAB CC(C)[C@H](NC(=O)CCCn1c(=O)oc2ccccc21)c1cccs1 7120437 OUVRLUQSKMCRGD-SFHVURJKSA-N 358.463 3.950 0 40 FHAB CCOc1ccc2oc(C(=O)OCC(=O)N3CCC[C@H](C)C3)c(C)c2c1 7205698 BPXZWTOMCZFZQU-ZDUSSCGKSA-N 359.422 3.555 0 40 FHAB CC(C)c1ccc(OCC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 15831666 ZLBSBTAMUIWPSD-IBGZPJMESA-N 356.466 3.735 0 40 FHAB COc1cccc(-n2nnc(-c3nc(-c4ccccc4Cl)no3)c2C)c1 7615740 JVSSCMNCWAIFGA-UHFFFAOYSA-N 367.796 3.955 0 40 FHAB COc1ccc(OC)c(NC(=O)CN2CCC(Cc3ccccc3)CC2)c1 7788118 PSLLJHZTMYSDTR-UHFFFAOYSA-N 368.477 3.597 0 40 FHAB CC(=O)N1CCCCC[C@H]1C1CCN(c2nccc(C(F)(F)F)n2)CC1 71889371 DZIQNZRHFBKICY-HNNXBMFYSA-N 370.419 3.503 0 40 FHAB CC[C@@H](CO)Nc1nc(C(F)(F)F)nc2ccc(Br)cc12 68621472 YSHSWTYTBDVHLM-QMMMGPOBSA-N 364.165 3.594 0 40 FHAB Cc1ccc(NC(=O)CN(C)Cc2ccsc2)c(Br)c1 7926913 GPWLIXMEASIZDU-UHFFFAOYSA-N 353.285 3.890 0 40 FHAB O=C(NCCOC(=O)c1ccc(-c2ccccc2Cl)o1)c1ccncc1 69327449 WXOKYTCWJTXTIM-UHFFFAOYSA-N 370.792 3.582 0 40 FHAB C[C@H](CCc1ccco1)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 97032894 SAWDKTYLNRJOSD-PXAZEXFGSA-N 350.821 3.788 0 40 FHAB Cc1ccc(N([C@@H](C)C(=O)Nc2cccc(C)c2C)S(C)(=O)=O)cc1C 409383093 ZDKXFLFRGSGCSV-KRWDZBQOSA-N 374.506 3.713 0 40 FHAB CC(C)CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3C(C)C)c2ccccc21 72404836 ZCFTZTZEXCIQJS-FQEVSTJZSA-N 352.438 3.744 0 40 FHAB O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1cc(Cl)sc1Cl 84432656 VADRHKKIVAVJHQ-LLVKDONJSA-N 373.261 3.569 0 40 FHAB CC(C)NC(=O)Nc1ccccc1C(=O)Nc1ccc2oc(=O)ccc2c1 95369228 YNGPBEUBKCFKDM-UHFFFAOYSA-N 365.389 3.575 0 40 FHAB O=C(NCCC1=CCCCC1)[C@@H]1CCCN1c1ncnc2sccc12 84618337 SEGYCJYLLRVDCO-INIZCTEOSA-N 356.495 3.667 0 40 FHAB CCC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCc2ccccc2C1 20120943 HHEQFZZYJGMPDN-HXUWFJFHSA-N 361.493 3.966 0 40 FHAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)N3CCCCCC3)C(=O)[C@H]2C1 408686751 SSKJAZHDOKFXJS-WMZOPIPTSA-N 366.461 3.549 0 40 FHAB CC[C@H](C(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1)c1ccccc1 32994719 VLPPCBQCBZKNBJ-NRFANRHFSA-N 350.462 3.732 0 40 FHAB O=C(O)[C@H]1COC2(CCCCC2)N1C(=O)c1ccc(Cl)cc1Cl 71979692 MTHQXKPFAUWXLU-CYBMUJFWSA-N 358.221 3.579 0 40 FHAB O=C(CN1CCC[C@H]1c1cccc(Cc2ccccc2)n1)N1CCCCC1 72357621 FBIMFLIFTCLZGH-QFIPXVFZSA-N 363.505 3.822 0 40 FHAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NCCCN(CC)CC 72414641 SPVKQGVLBISHCQ-UHFFFAOYSA-N 370.559 3.527 0 40 FHAB O=C(Cc1ccccc1)NC(=S)Nc1cccc(Cl)c1N1CCCC1 33707001 IJDLQWVUZJNGQI-UHFFFAOYSA-N 373.909 3.996 0 40 FHAB O=C(CCc1ccccc1)NCc1cccc(C(=O)N2CCCCC2)c1 32924662 JQPVWQZYOQVSQE-UHFFFAOYSA-N 350.462 3.562 0 40 FHAB COc1cc2ncnc(N(C)C)c2cc1OCCc1ccc2ccccc2n1 72116552 DHUGCEREBSKVDJ-UHFFFAOYSA-N 374.444 3.874 0 40 FHAB in-vitro Fc1ccc(C2(c3noc(CCc4cnccn4)n3)CCCC2)c(F)c1 566764721 XYDSWYQJJCBMAC-UHFFFAOYSA-N 356.376 3.783 0 40 FHAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccco2)cc1 223745489 ANDWLOCCMGOCDP-MSOLQXFVSA-N 351.431 3.860 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C)cc2C)c1 222603351 FKCVULFDGOIBOB-CVEARBPZSA-N 357.450 3.965 0 40 FHAB CC(C)Oc1cccc(CNC(=O)c2cccc(N3CCCC3=O)c2)c1 46664313 MUXNQJLUGIQERS-UHFFFAOYSA-N 352.434 3.531 0 40 FHAB CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 222170259 PELHEBHHCKXBBY-QUMQCBJBSA-N 353.440 3.526 0 40 FHAB Cc1cc(C)cc(OCCNC(=O)Cc2cccc(Br)c2)c1 224113945 MKTVMDZYPUVJJP-UHFFFAOYSA-N 362.267 3.804 0 40 FHAB O=C(COc1ccc(Cl)cc1Cl)NCC[C@H](O)c1ccccc1 81253103 TYGPCIYJMUWMAD-HNNXBMFYSA-N 354.233 3.612 0 40 FHAB CN1CCC(N2CCC[C@H](c3ncc(Cc4ccccc4F)o3)C2)CC1 257245589 IQFXQURFLIYICK-KRWDZBQOSA-N 357.473 3.678 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1cnc(-c2cccc(C(=O)O)c2)cn1 257236710 HDISEHVKUHDMSO-QGZVFWFLSA-N 369.421 3.914 0 40 FHAB CSCC1(CCNC(=O)N[C@H]2c3ccccc3CC23CCOCC3)CC1 595635609 NQKADZRGXBISQG-SFHVURJKSA-N 374.550 3.913 0 40 FHAB Cn1nc(C(=O)O)cc1C(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 630182694 VWJYZMSTZUYEQL-HNNXBMFYSA-N 361.829 3.529 0 40 FHAB O=C(O)[C@H](c1ccsc1)N1CCC(c2ccc3cccnc3n2)CC1 656191839 RAXVSYYQPCRYME-KRWDZBQOSA-N 353.447 3.697 0 40 FHAB Cn1cc(NC(=O)c2cccc(-c3cscn3)c2)c(-c2ccccn2)n1 675582045 VMAZVEDWWRKLNY-UHFFFAOYSA-N 361.430 3.858 0 40 FHAB O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCC(F)(F)CC1 1260913763 XQGCAVHRPZLXCJ-UHFFFAOYSA-N 353.390 3.899 0 40 FHAB FC(F)(F)c1nc(-c2cccc([C@@H]3CCCN(CC4CC4)C3)n2)no1 585289485 IFCRBCXXRYWGRZ-GFCCVEGCSA-N 352.360 3.740 0 40 FHAB Cc1nc(-c2nccn2C)cc([C@@H]2CCCCN2C(=O)CC(C)(C)C)n1 585182575 XGYSDRNVXMNKGW-KRWDZBQOSA-N 355.486 3.675 0 40 FHAB Cc1ccc(NC(=O)N[C@H](C)c2cccc(Cl)c2)cc1-n1cnnn1 44246646 DGIJOHIMQNPSSB-GFCCVEGCSA-N 356.817 3.507 0 40 FHAB O=C(NC(c1ccccc1)c1ccccc1)N[C@@H]1CCN(c2ccccn2)C1 178851838 WGYIHNSXBCUOFP-HXUWFJFHSA-N 372.472 3.749 0 40 FHAB O=C(NC[C@@H]1CCCO1)c1cccnc1Nc1cccc(C(F)(F)F)c1 12144488 PNRIXUQUYCEBOT-AWEZNQCLSA-N 365.355 3.753 0 40 FHAB COc1ccc(C2(NC(=O)[C@@H]3OCOc4ccccc43)CCCC2)cc1 12197674 XWXIBCDGWQRSLX-LJQANCHMSA-N 353.418 3.689 0 40 FHAB Cc1cc(-c2cnc(NCCCn3ccnc3)nc2-c2ccc(C)o2)on1 12221570 CFMXSQJBIZSRHV-UHFFFAOYSA-N 364.409 3.707 0 40 FHAB C[C@H](NC(=O)CN1CCC[C@@H]1c1cccn1C)c1cc2ccccc2o1 12812654 QWZBFOWGJSWULM-MAUKXSAKSA-N 351.450 3.786 0 40 FHAB CCN(CC)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(F)cc2)on1 15673295 RAXUDMSFLXYBKZ-IRXDYDNUSA-N 373.472 3.507 0 40 FHAB biogenic,in-vitro CCOc1ccc(CC(=O)N2CCC[C@@H](c3cc4ncccc4[nH]3)C2)cc1 19532861 YNEIVRHKGWTOQF-QGZVFWFLSA-N 363.461 3.910 0 40 FHAB O=C(NCc1ncc(-c2ccccc2)[nH]1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 109094581 OAAGATWNPLFLCL-LSDHHAIUSA-N 353.372 3.775 0 40 FHAB CCOc1cc2c(cc1NC(=O)c1cc3c(C)nn(C)c3s1)O[C@H](C)C2 10467798 ZQTLUXFNWGQPQX-SNVBAGLBSA-N 371.462 3.918 0 40 FHAB CCOc1ccc(Cc2nnc(Nc3cccc(C)c3C)[nH]c2=O)cc1 5154373 XHRWYRQSUSHGNX-UHFFFAOYSA-N 350.422 3.515 0 40 FHAB Cc1ccc(C)c(C(=O)NC[C@H](c2cccn2C)N2CCCCCC2)c1 11846314 BONRTLXYJXRVFN-OAQYLSRUSA-N 353.510 3.989 0 40 FHAB COc1ccc(C)cc1S(=O)(=O)NCC1(c2cccs2)CCCC1 13804478 HTPRWOWBXXLBKG-UHFFFAOYSA-N 365.520 3.855 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)N1CC(n2c(C3CC3)nc3ccccc32)C1 1775970099 BBJVIRZBXWUTSE-OAHLLOKOSA-N 361.445 3.765 0 40 FHAB CCOc1ccc(C(=O)Nc2ccccc2-c2cn3ccsc3n2)nn1 206895050 OUSLQSNFCRCMKW-UHFFFAOYSA-N 365.418 3.504 0 40 FHAB Cc1nc(N2CCN(c3ccc(O)cc3)CC2)c2c(C)c(C)sc2n1 8147002 FEDPHLQZNDTDFK-UHFFFAOYSA-N 354.479 3.649 0 40 FHAB COCc1cccc(CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 40114030 DPPZIKNTDYWWIY-UHFFFAOYSA-N 361.445 3.826 0 40 FHAB O=C1C[C@@H](c2cccnc2)c2ncn(-c3cccc(C(F)(F)F)c3)c2N1 40288337 FLXOLICIOZGFAB-AWEZNQCLSA-N 358.323 3.760 0 40 FHAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3[C@@H]4C[C@H]5OC(=O)[C@H]3[C@H]5C4)cc2)cc1 101182684 AAUKRGAXEWETSV-WUTPFUBCSA-N 363.413 3.923 0 40 FHAB COc1ccc(Cn2nc(C)cc2NC(=O)c2ccccc2)cc1OC 20715941 SGFWCLDIZIAKFE-UHFFFAOYSA-N 351.406 3.509 0 40 FHAB O=C(Oc1ccccc1C(=S)N1CCOCC1)c1ccc(Cl)cc1 659552 MTSVBFRTXCYRIN-UHFFFAOYSA-N 361.850 3.567 0 40 FHAB O=C(Nc1ccccc1F)c1cc2nc(C(F)F)cc(C(F)F)n2n1 655874 YVSROKUJOWWLRT-UHFFFAOYSA-N 356.254 3.996 0 40 FHAB COc1ccc(NC(=O)/C=C/c2cc(Cl)c3c(c2)OCO3)cc1OC 22595618 MPVAKZCBJKPSRP-ZZXKWVIFSA-N 361.781 3.738 0 40 FHAB O=C(Nc1ccc(OC2CCCC2)cc1)C1CCN(c2cnccn2)CC1 23113875 QCBZKPNVTJYMAD-UHFFFAOYSA-N 366.465 3.653 0 40 FHAB O=C(Nc1ccc2oc(=O)ccc2c1)c1cc(Br)ccc1F 54253040 YEPXTVKSDFQAAS-UHFFFAOYSA-N 362.154 3.947 0 40 FHAB CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc(C)cc4)ccc1c23 1448658 FBCCOEFAVDCLEN-UHFFFAOYSA-N 366.442 3.929 0 40 FHAB O=C(Nc1ccc2c(c1)OCCCO2)c1cc(Cl)c2c(c1)OCCO2 24859106 GXTUUOGJGHFHMF-UHFFFAOYSA-N 361.781 3.525 0 40 FHAB CCCCn1nc(C(=O)Nc2ccccc2C(C)=O)c2ccccc2c1=O 2655283 JKKOVRZEZIIFKQ-UHFFFAOYSA-N 363.417 3.652 0 40 FHAB Cc1c([C@@H](C)NC(=O)c2ccc(-n3cnc4ccccc43)cc2)cnn1C 25000270 YQRDGRBRSJLJBT-CQSZACIVSA-N 359.433 3.558 0 40 FHAB OC[C@H]1CCCN(Cc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)C1 34868051 WYMNJKCOXKTMRK-BTYIYWSLSA-N 357.425 3.638 0 40 FHAB COc1ccc(NC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1405802 BHMYTTUREHFDBP-UHFFFAOYSA-N 353.205 3.969 0 40 FHAB O=c1c2c3c(sc2ncn1Cc1ccccc1Br)CCC3 6111632 XGLUDEOXBUZKNS-UHFFFAOYSA-N 361.264 3.758 0 40 FHAB Cc1csc(=O)n1CC(=O)N(Cc1ccccn1)c1ccc(Cl)cc1 55788974 ZJVLRUBMCLKYCO-UHFFFAOYSA-N 373.865 3.500 0 40 FHAB CCN(CC)C(=O)c1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1 27222006 GCESAZVTNSYJIQ-UHFFFAOYSA-N 370.424 3.909 0 40 FHAB CN(C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)C1CCCCCCC1 58197894 PXPFUQAKRDSITL-UHFFFAOYSA-N 357.429 3.557 0 40 FHAB O=C(OCc1nc(-c2ccc(Br)cc2)no1)c1ccsc1 44836503 RUVDGNOSJFQRQU-UHFFFAOYSA-N 365.208 3.918 0 40 FHAB O=C(NCc1ccncc1)Nc1cccc(NC(=O)c2cccc(F)c2)c1 58299333 AQKNAUPIPULFBS-UHFFFAOYSA-N 364.380 3.795 0 40 FHAB O=C(Cc1ccc(F)cc1)NCc1ccc(C(=O)N2CCCCCC2)cc1 28348139 IYVSZLYESXWOIH-UHFFFAOYSA-N 368.452 3.701 0 40 FHAB O=C(COC(=O)c1ccc(Cl)nc1)Nc1ccc(SC(F)F)cc1 3279831 HHOSRNJCJXHDAG-UHFFFAOYSA-N 372.780 3.845 0 40 FHAB CC[C@]1(c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)CCC(=O)NC1=O 54198927 PXNFLKGNVYMNGD-JOCHJYFZSA-N 364.445 3.640 0 40 FHAB CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)C1CCCC1 53436535 RQVDPMBGQIZIRC-MRXNPFEDSA-N 357.479 3.893 0 40 FHAB O=C(CCCc1c[nH]c2ccccc12)Nc1ccccc1N1CCOCC1 2617813 GEKQAJUZYXKHLK-UHFFFAOYSA-N 363.461 3.966 0 40 FHAB Cc1cc(C)cc(NC(=S)N2[C@@H]3CCC[C@@H]2CC(NC(=O)C2CC2)C3)c1 100427116 BWWUHWVSXOSMHN-RTBURBONSA-N 371.550 3.912 0 40 FHAB CCC(CC)C(=O)N[C@@H](C)c1cc(O)n2nc(-c3cccs3)cc2n1 100769316 WVUJQONCPSRILJ-NSHDSACASA-N 358.467 3.777 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cnc(Cl)c(Cl)c1 3318589 IPCFHDZQEVZZLX-SNVBAGLBSA-N 365.216 3.523 0 40 FHAB Cc1ccc2c(CC(=O)OCC(=O)Nc3ccc(Cl)cn3)coc2c1 3358171 COHLULXQBOSZOJ-UHFFFAOYSA-N 358.781 3.514 0 40 FHAB aggregator C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2cccc3cccnc23)CC1=O 12851950 WLYRCZWCRAVHCQ-MAUKXSAKSA-N 359.429 3.783 0 40 FHAB Cc1ccccc1Nc1nnc(SCC(=O)NCCC(C)C)s1 3465385 QRZKAXPSPFQUOD-UHFFFAOYSA-N 350.513 3.845 0 40 FHAB O=S(=O)(N[C@H]1CCc2ccccc21)c1ccc(OC(F)(F)F)cc1 10752721 SAMLEUBSUKAMNU-HNNXBMFYSA-N 357.353 3.551 0 40 FHAB O=C(c1cncc(Br)c1)N1CCC(Cc2ccccc2)CC1 3432793 CMWBPOZREOUTPS-UHFFFAOYSA-N 359.267 3.939 0 40 FHAB CCN(Cc1ccccc1)C(=O)COC(=O)c1ccc(SC)cc1OC 3515481 RYBGMMMYPYGJJX-UHFFFAOYSA-N 373.474 3.623 0 40 FHAB COc1ccc(-c2nc(COC(=O)c3ccc(OC)nc3)cs2)cc1 12997783 YQPKLWFEBNHYHW-UHFFFAOYSA-N 356.403 3.579 0 40 FHAB O=C(COc1ccccc1)Nc1nnc(CCCc2ccccc2)s1 9196828 TYGAFSDFBCGMQL-UHFFFAOYSA-N 353.447 3.731 0 40 FHAB CCSc1nnc(-c2cnn(-c3ccccc3)c2-n2cccc2)n1C 4050351 DNUKECXGXRROHQ-UHFFFAOYSA-N 350.451 3.571 0 40 FHAB CCOc1cc([C@@H]2N=C(O)c3ccccc3N2)cc(Br)c1O 4108250 RQKTZTDTTBJYSR-HNNXBMFYSA-N 363.211 3.982 0 40 FHAB O=C(NCCO)c1cc2c([nH]c3ccccc32)c(-c2ccccc2Cl)n1 6197825 KLIFVEHYRDYAIW-UHFFFAOYSA-N 365.820 3.759 0 40 FHAB biogenic O=C1[C@@H]2CS[C@H](c3ccsc3)N2C(=S)N1c1ccc(F)cc1 5274907 LNVZRSKUHZJMNX-GXTWGEPZSA-N 350.465 3.635 0 40 FHAB Cc1ccc2c(CC(=O)N(C)Cc3nnc4n3CCCCC4)coc2c1C 14108269 GPDULMSGCDWWKC-UHFFFAOYSA-N 366.465 3.569 0 40 FHAB Cc1noc(C)c1COc1ccc(C(=O)NCCc2ccc(F)cc2)cc1 6435200 JPKIFJGNCSHZNR-UHFFFAOYSA-N 368.408 3.982 0 40 FHAB O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc(F)cc2)CC1 28210987 KGTHTWFKQXXYBO-UHFFFAOYSA-N 352.331 3.807 0 40 FHAB Cc1cccc(NC(=O)CN(C)[C@H](C)c2nc(-c3ccccc3)no2)c1C 9387778 AEWCHGWXZSNFPD-MRXNPFEDSA-N 364.449 3.985 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)Cc1cnn(-c2ccccc2)c1 14848263 GBOUEQPJJMYFEF-UHFFFAOYSA-N 371.444 3.856 0 40 FHAB COc1ccc(CN(Cc2ccco2)C(=O)COc2ccccc2)cc1 6747556 VFXWXIOFVVFTCE-UHFFFAOYSA-N 351.402 3.896 0 40 FHAB Cc1csc([C@](O)(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C(F)(F)F)n1 67706162 HDVWTTIBIAAZIU-APAOZMKASA-N 364.433 3.532 0 40 FHAB CCc1ccc(S(=O)(=O)N2CCc3cc4cccc(C)c4nc32)s1 15842087 RCOYCSPPOIACJX-UHFFFAOYSA-N 358.488 3.919 0 40 FHAB CC(C)c1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1 7726733 VBEOSNKUVSFRJW-UHFFFAOYSA-N 358.463 3.738 0 40 FHAB CC(=O)N1CCCCC[C@@H]1C1CCN(c2cnc3ccccc3n2)CC1 69810811 XOTCPYAHRYCRJA-HXUWFJFHSA-N 352.482 3.637 0 40 FHAB CC[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 8761856 DBHKHMVYRKEUCS-MRXNPFEDSA-N 351.855 3.625 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)N1CCC[C@H]1c1ccccc1 9955855 GJMAYUWDWAGLCF-SFHVURJKSA-N 353.418 3.640 0 40 FHAB Cc1cc(C)n(CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)n1 72319272 TWRKSAGLMOBZGK-GOSISDBHSA-N 357.504 3.797 0 40 FHAB COc1cc(C(=O)NCc2ccc(F)cc2F)nc2c(C)cc(F)cc12 72329509 DYYYMPONHGHAML-UHFFFAOYSA-N 360.335 3.899 0 40 FHAB CSC[C@@H]1CCN(C(=O)c2sc(NC(=O)C(C)(C)C)cc2C)C1 95960771 UCLCAAKMRBBZLH-GFCCVEGCSA-N 354.541 3.866 0 40 FHAB c1ccc(Cn2ccnc2CCN[C@H](c2ccccc2)c2ncc[nH]2)cc1 95940780 LXTUYRLBZZGGDT-OAQYLSRUSA-N 357.461 3.576 0 40 FHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 113954293 VFOFHBKWKWGFPL-FQEVSTJZSA-N 367.493 3.543 0 40 FHAB COc1cc(NC(=O)COc2ccc(C)cc2)ccc1-c1ccc(CO)o1 20143807 DTRACUSFOPXDQU-UHFFFAOYSA-N 367.401 3.773 0 40 FHAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccco3)[C@](O)(C(F)(F)F)[C@@H]2C1 409103728 FHVWHXDBIXWBFF-GLKRBJQHSA-N 358.360 3.805 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)cc1 408585501 YRBRFXHAQVVDKX-UHFFFAOYSA-N 361.467 3.573 0 40 FHAB Cn1cccc(C(=O)N[C@H](c2ccccc2)[C@H]2CCCc3ccccc32)c1=O 505466616 BFZDTOWGWSKTCZ-RBBKRZOGSA-N 372.468 3.977 0 40 FHAB COC(=O)c1ccc(NC(=S)NCCSCc2ccccc2)cc1 33931501 KPBIBSYFEMFPNY-UHFFFAOYSA-N 360.504 3.693 0 40 FHAB Cc1ccccc1O[C@@H](C)C(=O)NCCCN1CCCc2ccccc21 219291038 AQJPICXIGPUHGV-SFHVURJKSA-N 352.478 3.721 0 40 FHAB Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)c1 33682053 GZIKQGUNKIEVRJ-KRWDZBQOSA-N 374.506 3.713 0 40 FHAB Cc1ccc(SCCNC(=O)c2ccc(Cn3ccnc3)cc2)cc1 38836745 KMTZRPRVFGWKTL-UHFFFAOYSA-N 351.475 3.762 0 40 FHAB O=S(=O)(NCCCN1CCCCC1)c1ccc(Oc2ccccc2)cc1 216232699 YGSULZSMLOXPMR-UHFFFAOYSA-N 374.506 3.633 0 40 FHAB CCc1ccc([C@H]2CCCCN2C(=O)Cc2c(CC)nn(C)c2CC)o1 188053158 GBZPWDHGLMVRFN-LJQANCHMSA-N 357.498 3.997 0 40 FHAB CC1(C)CN(Cc2ccc(C(=O)O)cc2F)C[C@H](COc2ccccc2)O1 563454560 FSMNEZNJRHYDNS-GOSISDBHSA-N 373.424 3.582 0 40 FHAB O=C(NC1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1)C1CC1 72346378 AWRDDYJTPGNCEA-UHFFFAOYSA-N 361.898 3.959 0 40 FHAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NC[C@H]1COc2ccccc2O1 225261635 KEYGHTKLMINQGJ-BEFAXECRSA-N 363.413 3.563 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccccc1 224670014 QOXUOBRSEBQYEJ-LJQANCHMSA-N 366.505 3.871 0 40 FHAB Fc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(F)c(F)c3)n2)nc1 49155361 RPUZRWXNSWZYFQ-INIZCTEOSA-N 360.339 3.886 0 40 FHAB biogenic,in-vitro CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC)c(C(=O)OC)c1 225801550 XXUMXHDWVJYODX-IBGZPJMESA-N 351.443 3.796 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C 223725926 WIPMYLKYBSQXBH-MRXNPFEDSA-N 372.896 3.744 0 40 FHAB Cc1ccc(N2C(=O)C[C@H](Nc3ccccc3Br)C2=O)cc1C 95915152 CGKPJGIQUBRTDR-INIZCTEOSA-N 373.250 3.810 0 40 FHAB COc1cc2c(Cl)nc(Cl)nc2cc1OCCCN1CCCC1 97756583 HWTKBTXVRGWUAX-UHFFFAOYSA-N 356.253 3.810 0 40 FHAB CSc1cc(Cl)c(C(F)(F)F)cc1NC(=O)[C@H](C)n1cncn1 585114340 AVKSCMADHXNYAO-ZETCQYMHSA-N 364.780 3.872 0 40 FHAB CSc1ncc(CN2C[C@@H]3[C@@H](CCC[C@]3(O)c3ccc(C)cc3)C2)cn1 248084662 KNBCWMOYTUBDJR-DSKINZAPSA-N 369.534 3.627 0 40 FHAB O=C(c1cccc2ncccc12)N1CCCC[C@H]1c1ccn2ccnc2n1 257329056 XIEVVJIWIBTWEL-IBGZPJMESA-N 357.417 3.645 0 40 FHAB CCn1c([C@H](CC(C)C)NC(=O)[C@H]2CC[C@H](OC)CC2)nc2cccnc21 257226383 FKLBHNDLOFBERH-BQFCYCMXSA-N 372.513 3.860 0 40 FHAB COCc1nc(C(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)cs1 65067830 MGKALPMPJRETAQ-UHFFFAOYSA-N 350.488 3.791 0 40 FHAB O=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1sccc1Cl 1664379129 PUWGQAAHRUSBCP-HNNXBMFYSA-N 367.879 3.567 0 40 FHAB CC1(C)Cc2n[nH]cc2CN(C(=O)N[C@H]2CCCc3c(F)cccc32)C1 663211559 BRSCTYCSOIBFQF-KRWDZBQOSA-N 356.445 3.720 0 40 FHAB CO[C@H](CNC(=O)c1cccc(Br)c1)c1cccc(F)c1 96388190 PTTYGFIQHRAFLH-OAHLLOKOSA-N 352.203 3.706 0 40 FHAB COc1cccc(CN[C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)c1 585290109 ZZJANZASDPVBJH-XUVXKRRUSA-N 361.869 3.799 0 40 FHAB COc1cccc([C@H](C(=O)O)N2CCC3(CCc4ccccc4O3)CC2)c1 634693159 RBXMFZJOHKRFGJ-HXUWFJFHSA-N 367.445 3.681 0 40 FHAB COc1ccc(CCC(=O)Nc2cc3c4c(c2)[C@H](C)C(=O)N4CCC3)cc1 5153726 QGGBODVXLHGXHZ-AWEZNQCLSA-N 364.445 3.663 0 40 FHAB O=C(N[C@H](c1ccncc1)c1ccc(Cl)cc1)C1Oc2ccccc2O1 12148552 HVDBLKGXFXJZNI-SFHVURJKSA-N 366.804 3.738 0 40 FHAB CCCNc1c(NC(=O)COc2ccc(C)cc2)c(=O)oc2ccccc12 13365209 BAWWCHSASFUPNQ-UHFFFAOYSA-N 366.417 3.941 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1OC 14796172 TUSZCMPBJGKFOW-BUYIWHAFSA-N 352.434 3.875 0 40 FHAB COc1ccc(OC)c(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c1 19551533 FPKATSSZPDMEBI-MRXNPFEDSA-N 351.450 3.960 0 40 FHAB C[C@H](CCc1ccccc1Cl)NC(=O)c1ccc(-n2cnnc2)cc1 19659362 TXNYZLDIKMIEKZ-CQSZACIVSA-N 354.841 3.672 0 40 FHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(OC(F)(F)F)cc1 5278703 ULSOIEQVOBEIDW-UHFFFAOYSA-N 373.352 3.631 0 40 FHAB COc1ccc2c(c1)CCCN(C(=O)N[C@H](C)c1c(F)cncc1F)C2 561972740 QZYQUYVVCKPQHB-GFCCVEGCSA-N 361.392 3.587 0 40 FHAB O=C(/C=C/c1cc(F)cc2c1OCOC2)Nc1nc2ccccc2s1 9586524 OKYXFWWVVKEEGI-AATRIKPKSA-N 356.378 3.954 0 40 FHAB O=C(NCc1cccc2ccccc12)N1CC(Cn2cc(Cl)cn2)C1 1889273690 HKPKBYPQVQNFNP-UHFFFAOYSA-N 354.841 3.531 0 40 FHAB CCN(CC)Cc1ccc(CNC(=O)C2=Cc3ccccc3OC2)cc1 16110085 BXDYEQJKKNQKQS-UHFFFAOYSA-N 350.462 3.621 0 40 FHAB Cc1ccc(C(=O)O[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)cn1 23519424 ZRLLSDCXDNCYAH-AWEZNQCLSA-N 373.478 3.758 0 40 FHAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1ccc(F)cc1 5152742 VYYPIXNIUJFWFJ-IBGZPJMESA-N 350.393 3.953 0 40 FHAB CCS(=O)(=O)N1CCCc2ccc(NC(=O)c3cc(C)cc(C)c3)cc21 17316242 JLSZBIRNRHTNST-UHFFFAOYSA-N 372.490 3.658 0 40 FHAB O=C(c1cc(-c2ccccc2)on1)N1CCC[C@H](COc2ccncc2)C1 1775970417 LXOAEJKNQPCPPP-INIZCTEOSA-N 363.417 3.668 0 40 FHAB O=C(NCCCN1CCO[C@H](c2ccccc2)C1)Nc1ccccc1Cl 38572379 SYOUZPKUSUYIBU-IBGZPJMESA-N 373.884 3.925 0 40 FHAB COc1ccc([C@H]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)cc1 49026510 RCSGSEKFFRLHQF-ZDUSSCGKSA-N 369.845 3.666 0 40 FHAB O=C(c1ccccc1Br)N(Cc1ccco1)C1CCOCC1 206672368 OOXOSGPGDXEGGJ-UHFFFAOYSA-N 364.239 3.864 0 40 FHAB O=C(COc1ccccc1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 24931067 SRPVJGCRAVAPAG-HXUWFJFHSA-N 361.445 3.504 0 40 FHAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)C1(C)C 25611964 GTYUESRNEPUSFF-APWZRJJASA-N 369.509 3.953 0 40 FHAB Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)N[C@H](C)C(=O)O 36575214 GWUIUTXWBDSPQM-SSDOTTSWSA-N 359.234 3.628 0 40 FHAB COC(=O)COc1cc(C(=O)Oc2ccc3ccccc3c2)ccc1OC 40140179 AGTNUDOTEPWING-UHFFFAOYSA-N 366.369 3.619 0 40 FHAB Brc1cccc(CN2CCN(C[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)c1 101102793 SWYIISUVTWEOOY-SZMVWBNQSA-N 361.327 3.779 0 40 FHAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cc1ccccc1Cl 32753854 QSGJPGLBZKDTRT-ZDUSSCGKSA-N 365.882 3.506 0 40 FHAB Cc1ccc(C)c(NC(=O)NCc2ccnc(N3CCSCC3)c2)c1 33280286 WUWBNEXEBNPVSL-UHFFFAOYSA-N 356.495 3.573 0 40 FHAB Cc1cc(OCC(=O)OCc2ccccc2)c2c3c(c(=O)oc2c1)CCC3 634062 RLHPYIMNBDINBV-UHFFFAOYSA-N 364.397 3.712 0 40 FHAB Cc1noc(CNc2cccc(C(=O)N3CCc4sccc4C3)c2C)n1 42120856 PBFJBFLHYVPJJW-UHFFFAOYSA-N 368.462 3.559 0 40 FHAB Cc1c(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)[nH]c2c1C(=O)CCC2 54033579 AQIUPVROKTTYFH-MRXNPFEDSA-N 368.433 3.652 0 40 FHAB COc1ccc(OC)c(C(=O)CSc2nnc(-c3ccccc3)o2)c1 882233 LMNKIANUGDFPAO-UHFFFAOYSA-N 356.403 3.729 0 40 FHAB CCc1ccc2c(c1)[C@](O)(CC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N2 1099848 NYMNUOPKVYZBEY-GOSISDBHSA-N 364.228 3.969 0 40 FHAB CCN1CCN(c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)CC1 1240136 KNUOIGANIYNLEY-UHFFFAOYSA-N 370.806 3.958 0 40 FHAB COc1ccc(NCN2C(=O)S/C(=C\c3cccc(OC)c3)C2=O)cc1 1416061 MGKCPWJMQGMTJP-BOPFTXTBSA-N 370.430 3.810 0 40 FHAB Cc1ccc(C)c(OCCCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 1779184 BGHBELBDICDOAD-UHFFFAOYSA-N 368.477 3.938 0 40 FHAB CC(=O)c1cccc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2C)c1 2332036 MMYIPXROJSGMRB-UHFFFAOYSA-N 365.385 3.630 0 40 FHAB CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cccc(Cl)c1 2484748 WOHFDSDQQHQMKR-OAHLLOKOSA-N 364.854 3.553 0 40 FHAB Cc1ccc(O)c(C(=O)c2cnn(C(=O)COc3ccc(Cl)cc3)c2)c1 2652829 RCNNKOQWZGQKAI-UHFFFAOYSA-N 370.792 3.501 0 40 FHAB aggregator Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccc(Cl)c(N)c1 3451265 QAMOCOQKTAZBKZ-UHFFFAOYSA-N 353.205 3.680 0 40 FHAB CCCCNC(=O)COc1ccc(Br)cc1Br 3515623 FFMOPBMVFWCSKN-UHFFFAOYSA-N 365.065 3.507 0 40 FHAB COc1ccc(Nc2nnc(SCC(=O)N[C@H](C)C(C)C)s2)cc1 3542303 KHIBBVVIOUCBHL-LLVKDONJSA-N 366.512 3.543 0 40 FHAB Cc1cccc(/N=c2\oc3ccc(Br)cc3cc2C(N)=O)c1 4177667 UUTRWDKLSHWBKS-JZJYNLBNSA-N 357.207 3.835 0 40 FHAB COc1ccc(C)cc1NC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4374357 WUEYPWFHQZTVDC-CQSZACIVSA-N 373.840 3.584 0 40 FHAB Cc1cccc2sc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)nc12 4975523 BGMRZKILUREMDD-CYBMUJFWSA-N 351.431 3.596 0 40 FHAB Cc1ccc(C)c(C(=O)COC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c1 4988252 JJXBRVAZJUMRQR-LJQANCHMSA-N 368.429 3.901 0 40 FHAB Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3Cl)n2)cc1C 5401954 WCFOARBSQJPGRM-UHFFFAOYSA-N 367.836 3.819 0 40 FHAB COc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1N1CCCC1=O 5440876 ULWIVVOHEHBFJT-UHFFFAOYSA-N 358.825 3.657 0 40 FHAB C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1nnc2ccccn12 5451146 LUVWEAXMYLQPPE-INIZCTEOSA-N 356.429 3.739 0 40 FHAB Cc1ccc(CNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 6233811 CCZOYPRFCYOLCC-UHFFFAOYSA-N 351.450 3.555 0 40 FHAB CC(C)CNC(=O)CSc1nnc(CCc2ccccc2)n1CC(C)C 6326348 VKSLYTCFLKNZJZ-UHFFFAOYSA-N 374.554 3.584 0 40 FHAB CCc1ccc2occ(CC(=O)NCCc3ccc(OC)c(OC)c3)c2c1 6809763 VQBNZJQDNCVHJX-UHFFFAOYSA-N 367.445 3.914 0 40 FHAB COc1ccc(CNC(=O)CSCc2cc(C)cc(C)c2)cc1OC 7208966 VIAZDHGSLSLSOG-UHFFFAOYSA-N 359.491 3.870 0 40 FHAB CC(C)[C@@H](NC(=O)c1cn2ccccc2n1)c1ccc2c(c1)OCCCO2 7738589 DNMCAJPLHJNBNF-HXUWFJFHSA-N 365.433 3.623 0 40 FHAB O=C(Nc1ccc(I)cc1)c1cc(F)cc(F)c1 7772130 UOSMQTKUZROFMS-UHFFFAOYSA-N 359.113 3.822 0 40 FHAB CCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 8080715 GBKQWPVRTOMDOK-UHFFFAOYSA-N 372.490 3.676 0 40 FHAB C[C@H]1c2cccc(C(=O)Nc3cccc(N4CCCC4=O)c3)c2O[C@@H]1C 8271704 NYZQMIWMDWGBIM-ZIAGYGMSSA-N 350.418 3.950 0 40 FHAB Cc1ccc2nc(CSc3nc4ccccc4c(=O)n3C3CC3)cn2c1 8710179 JPURRZSTMYKOOH-UHFFFAOYSA-N 362.458 3.980 0 40 FHAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1cccc(C(=O)O)c1 8714927 FWJBHEGLBVVPJC-UHFFFAOYSA-N 363.435 3.626 0 40 FHAB CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccc(Cl)c3)cc21 8959381 JBPVDUBKIUNFAM-UHFFFAOYSA-N 358.825 3.974 0 40 FHAB CC(C)[C@@H](Sc1nncn1-c1ccccc1)C(=O)NCc1ccccc1 9117999 BTPALFVMNNQQEQ-GOSISDBHSA-N 366.490 3.700 0 40 FHAB O=C(CCC(=O)c1ccccc1)NCc1ccc(OC(F)(F)F)cc1 9365283 PQVKVRRFTVNBET-UHFFFAOYSA-N 351.324 3.865 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1ccc(Cl)nc1 10806535 VYEBARQYJZZGPJ-UHFFFAOYSA-N 369.204 3.501 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)COc1cccc(C(F)(F)F)c1 10860482 FJUJRUBHLSUTMM-UHFFFAOYSA-N 367.323 3.900 0 40 FHAB COc1ccc(CNC(=O)CCc2ncc(-c3ccc(C)cc3)o2)cc1 11423291 LUBJCOSOZUOCHA-UHFFFAOYSA-N 350.418 3.908 0 40 FHAB Cc1cnn(CCC(=O)N[C@H](Cc2ccsc2)c2nc(C)cs2)c1 12227873 DVVGCTWHDMHTAB-OAHLLOKOSA-N 360.508 3.508 0 40 FHAB Cc1nc2cc([C@H]3CCCCN3Cc3cccc(F)c3)nn2c(O)c1C 12337776 OUQQKVCINAWDPO-GOSISDBHSA-N 354.429 3.918 0 40 FHAB Cc1cccc(N2CCN(Cc3nc(O)c4cc(Cl)ccc4n3)CC2)c1 12542661 UXGFHQATLQJAER-UHFFFAOYSA-N 368.868 3.619 0 40 FHAB O=C(NCc1ccc(-n2ccnc2)nc1)Nc1ccc(Cl)c(Cl)c1 12602568 ZCNXIPJDCBLBRL-UHFFFAOYSA-N 362.220 3.896 0 40 FHAB O=C(Cc1ccccc1)NCCC(=O)Nc1cccc(Cl)c1Cl 12766732 VSRRDOJUPOKUDO-UHFFFAOYSA-N 351.233 3.681 0 40 FHAB C[C@@H]1CCC[C@@H](NC(=O)CN(C)CCOc2ccc(Cl)cc2)[C@@H]1C 12767360 QKYBOZNEHLMKFW-IIDMSEBBSA-N 352.906 3.592 0 40 FHAB NC(=O)[C@H](OC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccccc1 12804886 AHWSYMBFGNARSJ-QGZVFWFLSA-N 365.410 3.691 0 40 FHAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCC(OCc2ccccc2)CC1 14084777 JNGCHIOPJOMBFG-INIZCTEOSA-N 363.461 3.665 0 40 FHAB O=C(NCc1ccccc1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 15174644 XQQHIFHSSODXNV-UHFFFAOYSA-N 356.853 3.509 0 40 FHAB COc1ccccc1[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 15966751 UDWNQJFNONNLPP-DLBZAZTESA-N 366.461 3.542 0 40 FHAB Cc1ccc(Nc2nc(N3C[C@@H](C)C[C@H](C)C3)nc3c2cnn3C)cc1 17042402 VHOAJMWCLXVVHF-GJZGRUSLSA-N 350.470 3.898 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NCc2cccc(C)c2)c1 17524676 DUSMFSLSNJDFSA-UHFFFAOYSA-N 362.495 3.646 0 40 FHAB O=C1CCCN1c1cccc(NC(=S)NCCSc2ccccc2)c1 18168032 KEOHZPXRZQJUMC-UHFFFAOYSA-N 371.531 3.892 0 40 FHAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)CC)C1 19498482 TWIYIBQRKVAPII-OAQYLSRUSA-N 370.518 3.722 0 40 FHAB CCOC(=O)CC[P@](=O)(O)[C@@H](NCc1ccccc1)c1ccccc1 20029151 PEJCPFZLPNIYPP-LJQANCHMSA-N 361.378 3.699 0 40 FHAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCc2ccccc21 20038124 YAOYFHBGSJZUFU-HNNXBMFYSA-N 358.869 3.676 0 40 FHAB O=C(Nc1ccc(N2CCOCC2)cc1)c1csc(-c2ccsc2)n1 21586893 HIXMWGHOKMBVKK-UHFFFAOYSA-N 371.487 3.961 0 40 FHAB Cc1ccc(N2CN(CCCN(C)C)CN=C2c2ccccc2)cc1C 22609057 OKOZWCVMHQDUDQ-UHFFFAOYSA-N 350.510 3.739 0 40 FHAB CC(C)(C)c1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1 24207994 ZTKBAFSQTDIOMS-OAQYLSRUSA-N 366.505 3.787 0 40 FHAB Cc1ccccc1-n1ncc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)c1C 27841788 ANFMEYOJNGLSLT-IBGZPJMESA-N 374.488 3.745 0 40 FHAB Cc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)N2CCC(C)CC2)o1 28227185 NRNZUOKHXWYSSM-UHFFFAOYSA-N 355.360 3.724 0 40 FHAB COc1cccc(C(=O)Nc2ccc(-n3cc(Br)cn3)cc2)c1 28574046 PKNDRQGVOPQRGZ-UHFFFAOYSA-N 372.222 3.896 0 40 FHAB CC[C@H](CNC(=O)CCC(=O)c1cccs1)N1CCc2ccccc2C1 29909164 RATHQGXBYRTYMR-GOSISDBHSA-N 370.518 3.664 0 40 FHAB O=C1N/C(=C/c2cccn2-c2ccc(F)cc2)C(=O)N1Cc1ccccc1 30774137 PTRDPDAHPUDGQR-CPNJWEJPSA-N 361.376 3.709 0 40 FHAB aggregator Cc1ccc(CNC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)cc1 32578794 MAYFWEPSVPCJFH-UHFFFAOYSA-N 365.433 3.864 0 40 FHAB NS(=O)(=O)c1ccc(Nc2nc(-c3ccc(Cl)s3)cs2)cc1 32808938 NQKGOBAGQGCDAB-UHFFFAOYSA-N 371.896 3.916 0 40 FHAB Cc1cc(C)c(NC(=O)Cn2c(=O)c3ccccc3n3nc(C)cc23)c(C)c1 32836387 MYZZYLTXDAQZKN-UHFFFAOYSA-N 374.444 3.522 0 40 FHAB C[C@H](OC(=O)c1cnc(Cl)c(Cl)c1)C(=O)N[C@H]1CCCC[C@H]1C 36419441 YXZMCYKWMPWFIF-NRUUGDAUSA-N 359.253 3.629 0 40 FHAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(C[C@H](O)c1ccc(Cl)cc1)C2=O 37474932 OOUVZXXMFQEFFT-YFROIQMUSA-N 364.873 3.510 0 40 FHAB COc1ccc(Cc2nnc(SCc3noc(C(C)(C)C)n3)o2)cc1 40068573 BFPZJKVUBCEKOI-UHFFFAOYSA-N 360.439 3.642 0 40 FHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3nc(-c4ccco4)cs3)cn2)n1 40111427 OFBLBOPKEZVVLQ-UHFFFAOYSA-N 365.418 3.853 0 40 FHAB O=C(Nc1ccc(-n2cncn2)nc1)c1cc(F)ccc1-c1ccccc1 40141836 BDEDIQTYVBBWER-UHFFFAOYSA-N 359.364 3.721 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)NCC1(c2ccccc2)CC1 43668571 ZLLJOWALMROCKV-UHFFFAOYSA-N 353.422 3.507 0 40 FHAB C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1cccc(Cn2ccnc2)c1 48288455 KUDOUDWBAPPHCE-VQIMIIECSA-N 356.470 3.648 0 40 FHAB C[C@H](NC(=O)CCc1ccc(Br)cc1F)c1ccccn1 58215433 DVCUFPGLGHKLQE-NSHDSACASA-N 351.219 3.793 0 40 FHAB Cc1csc([C@@](O)(CC(=O)N(C)Cc2ccccc2C)C(F)(F)F)n1 58223130 JYZYBOKHTOPTSY-INIZCTEOSA-N 372.412 3.559 0 40 FHAB Cc1c([C@@H](C)NC(=O)c2ccc(Sc3ccccn3)cc2)cnn1C 58278227 HPTPZWGWFLOFKN-CYBMUJFWSA-N 352.463 3.766 0 40 FHAB COc1cc(CNC(=O)c2ccc(N3CCc4ccccc4C3)cc2)ccn1 58419057 KAJJERDZESLSAU-UHFFFAOYSA-N 373.456 3.583 0 40 FHAB Cc1ccc([C@]2(C)NC(=O)N(Cc3cccc(C(F)(F)F)c3)C2=O)o1 60346132 VITUUIBAUNNNMD-INIZCTEOSA-N 352.312 3.574 0 40 FHAB CC(=O)N1CCC(NC(=O)c2c(-n3c(C)ccc3C)sc(C)c2C)CC1 65564337 VOEAODFMTVSTNB-UHFFFAOYSA-N 373.522 3.513 0 40 FHAB CN1CCN(Cc2nc(-c3cccc(Cl)c3)no2)c2ccc(F)cc21 72305269 BSVNJSQBXDZRCQ-UHFFFAOYSA-N 358.804 3.986 0 40 FHAB FC(F)(F)c1ccc([C@@H]2CCCC[C@@H]2Nc2ccc3nnnn3n2)cc1 72310223 KZPGUSVUJKSBJT-KBPBESRZSA-N 362.359 3.676 0 40 FHAB Cc1ccc(-c2[nH]ncc2C(=O)N2CCN(c3ccccc3C)CC2)cc1 72328660 LZSOATXRFUYJTB-UHFFFAOYSA-N 360.461 3.656 0 40 FHAB O=C(COC(=O)COc1ccc(Cl)cc1)Nc1cc(F)ccc1Cl 72331111 OHMYOQHUDHRWAR-UHFFFAOYSA-N 372.179 3.693 0 40 FHAB COc1cccc(-c2nccnc2[C@H]2CCCN(Cc3cccnc3)C2)c1 72358580 KHIREWVLUXHSMH-IBGZPJMESA-N 360.461 3.927 0 40 FHAB Cc1cccc(Nc2nccnc2[C@@H]2CCCN(C(=O)CC(C)C)C2)n1 72361956 MPWQGQZMDKDKTD-MRXNPFEDSA-N 353.470 3.676 0 40 FHAB O=C(CCc1ccccc1)N1CCC[C@H](c2cccc(-n3ccnc3)n2)C1 72378519 YUJOPQPWYLEUEB-IBGZPJMESA-N 360.461 3.606 0 40 FHAB Cc1ncccc1Oc1cncc([C@H]2CCCN2C(=O)C2CCCC2)n1 72383965 FTWJJMNIJZFAOD-QGZVFWFLSA-N 352.438 3.826 0 40 FHAB CC(=O)N1CCCN(Cc2nc(-c3ccc(C)cc3)no2)c2ccccc21 81551364 VCFSTFVCQLFQDY-UHFFFAOYSA-N 362.433 3.808 0 40 FHAB Cc1ccccc1CN1CCC2(CC1)C[C@@H](OCc1ccncc1)CO2 96106849 YKIMZVHTHBSKLT-OAQYLSRUSA-N 352.478 3.730 0 40 FHAB CN(C)c1cc(C(=O)OCc2nc3cc(C(F)(F)F)ccc3o2)ccn1 97019000 WVDNAFZDBLDAAD-UHFFFAOYSA-N 365.311 3.665 0 40 FHAB FC(F)(F)c1cccc(OC[C@H]2[C@H]3CC[C@@H](C3)N2Cc2ncc[nH]2)c1 100112713 CIKIFAOMCMDUHU-NOLJZWGESA-N 351.372 3.860 0 40 FHAB Cc1nn(CCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c(C)c1Br 102614148 NETKLWUSJJMSHT-HJPIBITLSA-N 368.319 3.593 0 40 FHAB CN1CCN(C(=O)c2csc(-c3ccccn3)n2)c2cc(Cl)ccc21 173667224 WKBSAHAZEIDYFG-UHFFFAOYSA-N 370.865 3.955 0 40 FHAB CSc1ccc(/C=C/C(=O)NC[C@](C)(O)CCc2ccccc2)cc1 206708223 ZRDMCMAMEGYAEY-QYFOZDBKSA-N 355.503 3.922 0 40 FHAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccccc2OC)c(C)c1 219560494 IZBMNSCYIJUPGE-KRWDZBQOSA-N 371.433 3.976 0 40 FHAB COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3)o2)c(OC)c1 224866122 VFFYADIFPJYOJZ-UHFFFAOYSA-N 352.390 3.930 0 40 FHAB C[C@@H]1C[C@@H](C)CN(CCNC(=O)Cc2ccc(-c3ccccc3)cc2)C1 224979326 IWRPOGDZLVBZHH-RTBURBONSA-N 350.506 3.990 0 40 FHAB O=C(O)C[C@@H](NC(=S)Nc1ccncc1)c1ccc(Cl)cc1Cl 225218321 PUUYHVVBWYWOGR-CYBMUJFWSA-N 370.261 3.891 0 40 FHAB COc1ccccc1CN(C)C(=O)[C@H](C)Oc1cccc2c1CCCC2 225550827 OYIZMWXCULNWKI-INIZCTEOSA-N 353.462 4.000 0 40 FHAB CCOc1ccc(C(=O)NCCCc2ccc(OC)c(OC)c2)cc1C 225746709 VCYUCUFPBHRPBC-UHFFFAOYSA-N 357.450 3.774 0 40 FHAB C[C@H](COc1ccccc1)NC(=S)Nc1ccc(N2CCCC2=O)cc1 225783661 YCAVTMYWWVONHQ-OAHLLOKOSA-N 369.490 3.567 0 40 FHAB Cc1ocnc1C(=O)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 257233195 GOFGZDRYZSXXSW-HNNXBMFYSA-N 364.405 3.585 0 40 FHAB Cc1cc(C)nc(N2CCO[C@H](c3cccc(Cc4ccccc4)n3)C2)n1 257239784 HQTNJLJCQGHBMP-NRFANRHFSA-N 360.461 3.657 0 40 FHAB Cc1ncsc1CN1CCC(c2ccnc(Nc3cnccn3)c2)CC1 257267461 MHKUCUPKARQAHQ-UHFFFAOYSA-N 366.494 3.760 0 40 FHAB COc1ccc(C2=N/C(=C/c3cc(Br)ccc3O)C(=O)O2)cc1 408839301 QJSUBDPLWWTXPQ-NTEUORMPSA-N 374.190 3.508 0 40 FHAB Brc1cnn(CCCCN[C@H]2CCCNc3ccccc32)c1 530365417 KXQLMYGBTDGLPE-KRWDZBQOSA-N 363.303 3.962 0 40 FHAB O=C(c1snnc1C1CC1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 556805356 UVOCCFBDEGMDLG-AWEZNQCLSA-N 353.451 3.659 0 40 FHAB O=C(N[C@H]1CCN(Cc2ccsc2)C1)c1cc(Br)cs1 618257655 ZKNVPVOXDICHIH-LBPRGKRZSA-N 371.325 3.576 0 40 FHAB C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)c1cccc(CC(=O)O)c1 659223854 WEHXQMLVOQDIBV-YJYMSZOUSA-N 373.836 3.569 0 40 FHAB C=CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccc(OC)c(F)c2)cc1 1640048071 RIADJRJRFLCTSY-SFHVURJKSA-N 368.408 3.936 0 40 FHAB O=C1CO[C@@]2(CCCN(C3CCCCCC3)CC2)CN1c1ccccc1 2037850012 HKVRYCJWVSBVFU-JOCHJYFZSA-N 356.510 3.997 0 40 FHAB Cc1ccc(N[C@H]2SC(=O)N(Cc3cccc(C(=O)O)c3)C2=O)c(C)c1 1018906 KZDBISQQFGPXMJ-INIZCTEOSA-N 370.430 3.635 0 40 FHAB CCC1=NN(C(=O)c2ccc(Br)cc2)[C@](O)(c2ccccc2)C1 827432 YLCRFCDISJJJSZ-GOSISDBHSA-N 373.250 3.906 0 40 FHAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccncc3)C(=O)[C@@H]12 840483 ZAVGHHQBUCUPQN-CAZKKTPXSA-N 366.420 3.652 0 40 FHAB CCOCCOCc1cccc(NC(=O)N[C@H]2CCOc3ccccc32)c1 47604466 DDQLNBDUMITHRU-IBGZPJMESA-N 370.449 3.885 0 40 FHAB CC(C)c1cccc(O[C@@H](C)C(=O)NC[C@@H](CO)Cc2ccccc2)c1 78821271 HHJHLMNXXQDLBY-HKUYNNGSSA-N 355.478 3.545 0 40 FHAB O=C(OCc1cccc2ccccc12)[C@@H]1CCCCN1C(=O)c1cccnc1 78999490 TXGQSGSCYIPGLP-NRFANRHFSA-N 374.440 3.973 0 40 FHAB CN1CCN(C(=O)c2ccc(F)cc2Cl)c2nc3ccccc3nc21 25089960 ULACNSRJNXJFEW-UHFFFAOYSA-N 356.788 3.519 0 40 FHAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 4063410 REJBTXQSIQFRRE-XLLUQBADSA-N 372.505 3.813 0 40 FHAB biogenic CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(F)cc3C)CC2=O)cc1 6460508 MBFMUCBOSLXLSO-CQSZACIVSA-N 356.397 3.524 0 40 FHAB Clc1cccc(N2CCN(Cc3ccc(-n4cccn4)cc3)CC2)c1 12557865 NTCPADDZFOQETO-UHFFFAOYSA-N 352.869 3.848 0 40 FHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](c1ccco1)N1CCCC1 27333650 USEMTEUXFTWTGY-RHSMWYFYSA-N 362.857 3.654 0 40 FHAB COCCCNC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccc(OC)cc1)(C3)C2 103178223 XVFFNXVYGJWFKI-WZGNDQMWSA-N 357.494 3.686 0 40 FHAB Cc1ccc(-c2csc3ncnc(N[C@H]4CCCNC4=O)c23)cc1C 58161587 NPJZHAZUFJRDLD-HNNXBMFYSA-N 352.463 3.666 0 40 FHAB CN(CCOc1ccccc1)C(=O)Nc1ccnc(OCC(F)(F)F)c1 95463765 YHKJBDJZMWGPJC-UHFFFAOYSA-N 369.343 3.565 0 40 FHAB O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2cccc3ccccc23)[nH]n1 44839224 DPDYUJXBZNKRIY-UHFFFAOYSA-N 371.396 3.889 0 40 FHAB Cc1cccc(CN2CCC(C(=O)NCCCN3CCCCCC3)CC2)c1 9062578 PRTZQIMRRVDGNH-UHFFFAOYSA-N 371.569 3.589 0 40 FHAB Cc1ccc(-c2nnc(S)n2CC(=O)N2CCC[C@H]2CC(C)(C)C)cc1 58209623 MMAWSHJLSHKJCW-INIZCTEOSA-N 372.538 3.969 0 40 FHAB C[C@@H](OC(=O)CCCOc1cccnc1)C(=O)c1c[nH]c2ccccc12 72312528 ZRQOMQCCMICJOT-CQSZACIVSA-N 352.390 3.537 0 40 FHAB O=C(NCc1cn2cc(Br)ccc2n1)c1cc2ccccc2o1 58406737 BQNIMPOVOXTIAS-UHFFFAOYSA-N 370.206 3.773 0 40 FHAB CC[C@@]1(c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)CCC(=O)NC1=O 54198928 PXNFLKGNVYMNGD-QFIPXVFZSA-N 364.445 3.640 0 40 FHAB CC[C@@H](C)NC(=O)c1c(N)n(CCC(C)C)c2nc3ccccc3nc12 2355752 XKYPEPSIAZTTTN-CYBMUJFWSA-N 353.470 3.741 0 40 FHAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c(F)c3)n2C)c1 2330057 SVNWJBZLWZQZCJ-UHFFFAOYSA-N 370.453 3.969 0 40 FHAB O=C(CSc1nnc2ccccn12)NC(c1ccccc1)c1ccccc1 2618041 XOCKQWIABLTUTJ-UHFFFAOYSA-N 374.469 3.727 0 40 FHAB CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCc3sccc3C2)cc1 12213193 GMQSXVDPUBODND-UHFFFAOYSA-N 370.518 3.750 0 40 FHAB CS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1 10511346 SQYPIUPHTUBIDL-UHFFFAOYSA-N 350.248 3.711 0 40 FHAB O=C(CCc1nc(-c2ccsc2)no1)NCc1cnc2ccccc2c1 48299115 XJVNCZBJIVAUIK-UHFFFAOYSA-N 364.430 3.595 0 40 FHAB COC[C@H](C)NC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 12849752 WPQWWPMOOAOLGE-ZDUSSCGKSA-N 363.841 3.692 0 40 FHAB O=C(COC(=O)c1ccc(Cl)nc1)Nc1cc(Cl)cc(Cl)c1 3473994 GYNCVNVIGIDVGP-UHFFFAOYSA-N 359.596 3.837 0 40 FHAB CC(C)[C@@H]1CCCN1C(=O)c1cccc(C(=O)N2CCC[C@@H]2C(C)C)n1 84456568 ZIDIRNAEHHXVBM-KDURUIRLSA-N 357.498 3.603 0 40 FHAB COc1ccccc1NC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1 26109931 CQSSVNDNXVXRSO-UHFFFAOYSA-N 372.852 3.840 0 40 FHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(C)C)cc1C 13005604 KWZBUGVSBTUWFH-UHFFFAOYSA-N 374.506 3.686 0 40 FHAB O=C(NCc1ccccc1Cl)[C@@H]1CCCN(C(=O)c2cccs2)C1 13018004 NDYJNIVHXQOSGT-CQSZACIVSA-N 362.882 3.570 0 40 FHAB C[S@](=O)Cc1cccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)c1 95347438 KKFHAZJMIPLJGG-VOIUYBSRSA-N 363.479 3.671 0 40 FHAB COc1ccc(Br)cc1CN1CCC[C@@H]1CN1CCCC1 95394195 IHCICUHXTRFEFK-MRXNPFEDSA-N 353.304 3.518 0 40 FHAB O=C(Nc1nc2c(s1)CCc1ccccc1-2)[C@H]1COc2ccccc2O1 4224230 FQBGNEBMVAHQNH-MRXNPFEDSA-N 364.426 3.687 0 40 FHAB CN1CCN(c2ccc(Cl)cc2NC(=O)CCc2ccccc2)CC1 6123973 MESTXQIJSDHITL-UHFFFAOYSA-N 357.885 3.663 0 40 FHAB CCCN(Cc1ccc(C)cc1)C(=O)Cc1csc(N2CCCC2=O)n1 39983277 WOTQZXHYCYPMSR-UHFFFAOYSA-N 371.506 3.560 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)Nc1nnc(COc2ccccc2)s1 13944163 RJXORZRCXNWPRQ-CYBMUJFWSA-N 355.419 3.523 0 40 FHAB CCc1ccc(-c2csc(NC(=O)Cn3c(C)csc3=O)n2)cc1 5269197 UENVAZROBKADDR-UHFFFAOYSA-N 359.476 3.543 0 40 FHAB C[C@@H](Sc1ncn(-c2ccccc2)n1)C(=O)N(C)Cc1cccc(F)c1 14085008 IBRIUFAKERZPRK-CQSZACIVSA-N 370.453 3.546 0 40 FHAB CCC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(NC(C)=O)cc2)cc1 14095173 WICAMOFMBNNKKE-UHFFFAOYSA-N 360.479 3.779 0 40 FHAB O=C(O)c1cccc(CSc2nnc(COc3ccccc3F)o2)c1 409386365 SPYUVCPLVZWDEA-UHFFFAOYSA-N 360.366 3.778 0 40 FHAB CC(=O)NCc1ccc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 9478825 IPRYARMGEKUJCD-LBPRGKRZSA-N 364.367 3.833 0 40 FHAB Cc1cc2oc(=O)cc(Cn3nnc(-c4ccc(Cl)cc4)n3)c2cc1C 6589466 UAPOQTFFCPMWQU-UHFFFAOYSA-N 366.808 3.765 0 40 FHAB O=C1c2ccccc2C(=O)N1CCCOc1ccccc1Br 26595982 DRATULNSXIPFHA-UHFFFAOYSA-N 360.207 3.514 0 40 FHAB O=C([C@@H](Oc1cc(Cl)cc(Cl)c1)c1ccccc1)N1CCOCC1 5506387 WGJCGZMDGXGGTN-KRWDZBQOSA-N 366.244 3.972 0 40 FHAB COc1ccc(C(=O)[C@H](C)Sc2nc3ccccc3n2C)c(OC)c1 6657527 QMNWCIAQLDOPCZ-LBPRGKRZSA-N 356.447 3.954 0 40 FHAB Nc1c(Cl)cc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1Cl 6654554 STNBPCVCOYSFNR-UHFFFAOYSA-N 368.245 3.872 0 40 FHAB O=C(c1[nH]nc(C2CC2)c1Br)N(C1CCCCC1)C1CC1 66320849 XVKVIPBBCPZJCN-UHFFFAOYSA-N 352.276 3.987 0 40 FHAB Cc1ccc(C)c(C(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)c1 6887228 IYFINBAYAFLKBJ-HXUWFJFHSA-N 370.836 3.607 0 40 FHAB CCc1ccc(N2C[C@@H](C(=O)Nc3cc(C)ccc3OC)CC2=O)cc1 4976514 FYVNRZOGSNRSPT-INIZCTEOSA-N 352.434 3.558 0 40 FHAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 7056473 JOXUVAASWAVZHM-UHFFFAOYSA-N 361.341 3.523 0 40 FHAB Cc1cc(C)c(CNC(=O)CCc2ccc(-c3ccccc3)o2)c(=O)[nH]1 7118389 RDQDJEGSJQZVID-UHFFFAOYSA-N 350.418 3.501 0 40 FHAB O=C(NCc1ccnc(N2CCCCC2)c1)C1(c2ccc(F)cc2)CCC1 71804999 KEMFUGMEFQMCAL-UHFFFAOYSA-N 367.468 3.949 0 40 FHAB O=C(NC[C@H]1CCC[C@@H](CNC(=O)c2cccs2)C1)c1cccs1 15938387 XJNYOLRKBKVAQA-OKILXGFUSA-N 362.520 3.776 0 40 FHAB O=C(NCCSCc1ccccc1)c1cncc(Br)c1 7642503 DPWMCNGBJJIKKJ-UHFFFAOYSA-N 351.269 3.507 0 40 FHAB COC(=O)c1ccccc1NC(=O)c1cc2cc(OC)ccc2nc1C 25764997 PHYBJGXCSBSPTL-UHFFFAOYSA-N 350.374 3.591 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1F 8077732 DJSIDCMJVMTDAZ-JHMRYYBSSA-N 358.457 3.794 0 40 FHAB COc1ccc(OCC(=O)Nc2ccccc2NC(=O)c2ccco2)cc1 8186125 ORJBHWXDWZEIPZ-UHFFFAOYSA-N 366.373 3.558 0 40 FHAB COc1cc(F)ccc1NC(=O)COc1ccc(Br)cc1 25309943 LYYHVBXZUWUNCV-UHFFFAOYSA-N 354.175 3.614 0 40 FHAB CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)c3cc(C4CC4)on3)cc21 84140084 WYBHUEGPZOSIRS-UHFFFAOYSA-N 369.421 3.576 0 40 FHAB O=C(c1cc2ccccc2[nH]1)N1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 98211654 AWYHXOFHQKZKJG-UHFFFAOYSA-N 371.444 3.520 0 40 FHAB O=C(NC1CCN(c2cc(-c3cccs3)n[nH]2)CC1)c1ccccc1 98212823 KTWRIBFKIPPQOP-UHFFFAOYSA-N 352.463 3.537 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)N(Cc2ccccc2F)C2CC2)c1C 18213840 CDAKLJANPJAZFB-UHFFFAOYSA-N 358.413 3.752 0 40 FHAB Cc1cc(C)n(CC2CCN(C(=O)CCCOCc3ccccc3)CC2)n1 89594130 HUKCLULNEKQFGP-UHFFFAOYSA-N 369.509 3.736 0 40 FHAB Cc1ccc([C@@H]2C[C@@H]2C(=O)OCc2nnc(-c3ccccc3)n2C)s1 89656448 IRLFSGDKIFRMPF-CABCVRRESA-N 353.447 3.699 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2cccc(Cl)c2)CC1 39748279 WCBMWGDTVFPMNO-UHFFFAOYSA-N 372.852 3.919 0 40 FHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 408681184 PTWNLPYSBQNCHL-HXUWFJFHSA-N 372.896 3.842 0 40 FHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCc2nc(-c3ccccc3)no2)c1 219303766 KHSQRZXBHIRSMD-MRXNPFEDSA-N 365.433 3.746 0 40 FHAB COc1cccc(CN2CC[C@H](c3nc(-c4cccc(OC)c4)no3)C2)c1 72369871 XYCBSQIVDBWDEL-KRWDZBQOSA-N 365.433 3.743 0 40 FHAB COc1ccccc1N[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O 36635855 UBRHKPCTAXMXMZ-LBPRGKRZSA-N 365.216 3.746 0 40 FHAB CCc1cc(I)ccc1NC(=O)c1cccc(N)c1 226268935 OTQTUKBHUROOMR-UHFFFAOYSA-N 366.202 3.688 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 224355539 IAVALOAAPBKJHQ-FQEVSTJZSA-N 370.468 3.702 0 40 FHAB Cc1ccc([C@@H](NS(=O)(=O)c2c(C)noc2C)c2ccccc2)c(C)c1 225676868 MZLHZITWGHZEDT-IBGZPJMESA-N 370.474 3.976 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 223665925 DFOJDYFNDFRLDH-MRXNPFEDSA-N 372.896 3.744 0 40 FHAB CCCO[C@]1(C(=O)Nc2cnc(OCCOC)c(C)c2)CCC[C@@H](C)C1 225911656 WMCKMOWUQBPVJA-FOIQADDNSA-N 364.486 3.729 0 40 FHAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN(CC)CC)cc1 225692429 ALYSUBABTDWLPE-HXUWFJFHSA-N 350.503 3.941 0 40 FHAB O=C(NCC1CCN([C@@H]2CCSC2)CC1)c1cccc2ccccc12 225569187 JIWXJCMODJLBMH-GOSISDBHSA-N 354.519 3.787 0 40 FHAB COc1ccc(OC[C@H](C)NC(=O)CCc2ccc(OC)c(C)c2)cc1 224401873 AWZDCCIHIQBRFD-INIZCTEOSA-N 357.450 3.529 0 40 FHAB CCc1ccc(O[C@@H](CC)C(=O)N2CCN(Cc3ccccc3)CC2)cc1 222877869 MVHGKCVBWZVWAZ-QFIPXVFZSA-N 366.505 3.751 0 40 FHAB Cn1cccc1[C@H](O)CCNC(=O)C1c2ccccc2Oc2ccccc21 225592684 XYUBILOIOVMFOG-GOSISDBHSA-N 362.429 3.503 0 40 FHAB COc1ccc(C(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1Cl 225272108 USNVDONGEAFRDE-UHFFFAOYSA-N 357.797 3.637 0 40 FHAB Cc1ccc(CN2CC[C@@]3(CCCN(C(=O)c4cccnc4)C3)C2)s1 96047044 GLVFMGXWLDBOFY-FQEVSTJZSA-N 355.507 3.580 0 40 FHAB COc1cccc(OCCc2nnc(NC(=O)[C@@H]3[C@H]4CCCC[C@H]43)s2)c1 248133272 LQILKOKJXSEELU-QLPKVWCKSA-N 373.478 3.543 0 40 FHAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)c3cnccn3)C2)n1 257330819 XQEXFHPIKDQOJD-GOSISDBHSA-N 358.445 3.867 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H]1CCc1cnc(Br)cn1 257206269 BCQUYVZFHGAWJS-LBPRGKRZSA-N 356.264 3.571 0 40 FHAB CC(C)N(C(=O)c1nn(-c2ccc(F)cc2)ccc1=O)c1cccc(F)c1 1280034900 PFXRPPRBZNLFQX-UHFFFAOYSA-N 369.371 3.566 0 40 FHAB Cn1c([C@H]2CCCCN2C(=O)CCCn2cccc2)nc2ccccc21 604418773 APGCKSMIFSYXGW-LJQANCHMSA-N 350.466 3.909 0 40 FHAB O=C(N=[S@@]1(=O)CCc2ccccc21)c1ccc(C(F)(F)F)cc1O 1652351619 OHBWBUZGSPQJQM-XMMPIXPASA-N 355.337 3.634 0 40 FHAB Cc1cc(CCC(=O)N2CC(N3CCc4ccccc4C3)C2)ccc1Cl 390825814 FSBPYEPGWBSXHU-UHFFFAOYSA-N 368.908 3.850 0 40 FHAB CO[C@@]1(c2nnc(CN(C)c3ccccc3-c3ccccc3)o2)CCOC1 585088613 JNCKBRVDUJFODT-NRFANRHFSA-N 365.433 3.635 0 40 FHAB O=C(N[C@H]1CCOc2ccccc21)C1CCN(Cc2ccccc2)CC1 47303270 DMAJIZSYNYWJSE-FQEVSTJZSA-N 350.462 3.539 0 40 FHAB Cc1nnc([C@H](C)OC(=O)c2cccc(NC(=O)C3CCCCC3)c2)o1 62277433 BHCLOJHGMMYUND-LBPRGKRZSA-N 357.410 3.815 0 40 FHAB O=C(NCCc1ccccc1)N1CCC(c2ccc3cccnc3n2)CC1 654344274 DNGSURPUTFMASX-UHFFFAOYSA-N 360.461 3.762 0 40 FHAB Clc1cc2[nH]nc(I)c2cc1Br 261508257 QWGNJOVLFUGLHN-UHFFFAOYSA-N 357.376 3.583 0 40 FHAB COc1cc(OC)cc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c1 5497181 MIJVZWBHOCQBQY-UHFFFAOYSA-N 355.312 3.740 0 40 FHAB CCOc1ccccc1-c1cc(C(=O)N2CCn3cccc3[C@@H]2CC)[nH]n1 12147497 KAMILXVPYQEBJU-SFHVURJKSA-N 364.449 3.884 0 40 FHAB COc1ccc(CN2Cc3ccccc3O[C@@H](CN(C)C)C2)c(C)c1C 12407694 HDLGSJIMOLOHNW-FQEVSTJZSA-N 354.494 3.637 0 40 FHAB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 169682329 AHRHOXMJGPWESI-HXQJMZMJSA-N 367.754 3.916 0 40 FHAB COc1ccccc1/C=C/C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 941483 IJSGCOIKSGVQBK-ZJNQMXKESA-N 370.474 3.632 0 40 FHAB O=C1N(c2ccc3c(c2)OCCO3)[C@H](c2ccc(Cl)cc2)C1(F)F 3173347 YLHNKMRTNKBUCY-OAHLLOKOSA-N 351.736 3.834 0 40 FHAB O=C(Nc1ccccc1N1CCOCC1)c1cccc(Br)c1 3191600 CLETWGPKKVKRIT-UHFFFAOYSA-N 361.239 3.538 0 40 FHAB CC(C)N(C(=O)COC(=O)/C=C/c1cccc(Br)c1)C(C)C 7000162 AXOBIPULBIGNSP-CMDGGOBGSA-N 368.271 3.651 0 40 FHAB O=C(CCc1ccccc1)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037909174 ZVXXNQDFSAAOMZ-JOCHJYFZSA-N 371.452 3.581 0 40 FHAB COc1cccc(-c2nnc(NC(=O)c3ccc4ncsc4c3)o2)c1 4276061 CFWUTTZCSRYWEG-UHFFFAOYSA-N 352.375 3.607 0 40 FHAB Cn1cccc1[C@@H](CNC(=O)c1ccc(F)cc1F)N1CCCCCC1 11846332 VMHMNLCICBYHIA-LJQANCHMSA-N 361.436 3.650 0 40 FHAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)Nc1ccc(Cl)cc1 23105638 POMTXMFNNMQNNH-HNNXBMFYSA-N 365.886 3.597 0 40 FHAB C[C@H](Oc1ccccc1F)C(=O)NCCOc1cccc(C(F)(F)F)c1 23142508 OLIVBNOQRXWIML-LBPRGKRZSA-N 371.330 3.807 0 40 FHAB Cc1ccc(-c2ccc3nn(Cc4cc(F)cc(F)c4)c(=O)n3n2)cc1C 49399423 VQWHVBNIECWFSY-UHFFFAOYSA-N 366.371 3.501 0 40 FHAB O=C(Cc1c(F)cccc1Cl)NC[C@H](c1ccsc1)n1cccn1 575612577 BDIPSWXWIJRHQI-MRXNPFEDSA-N 363.845 3.685 0 40 FHAB Cc1cc(C)cc(-n2nc(C)cc2NC(=O)CCc2c(C)noc2C)c1 40023504 OYYJJXWTKCWIQE-UHFFFAOYSA-N 352.438 3.974 0 40 FHAB O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1ccc(Cl)cc1F 40072035 URXSVCZVSFFTTQ-INIZCTEOSA-N 362.788 3.849 0 40 FHAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(N(C)C)cc1C 40111692 ZWZHHJZQWWRGDN-UHFFFAOYSA-N 350.422 3.508 0 40 FHAB COc1ccccc1C(=O)CSc1n[nH]c(/C=C/c2ccc(C)o2)n1 31802022 MIQVDGGARVZZPH-MDZDMXLPSA-N 355.419 3.860 0 40 FHAB CCCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccccc1C(=O)O 31903968 DQUZXXOLJNZQAT-UHFFFAOYSA-N 363.435 3.591 0 40 FHAB COc1ccc(-c2cc(C(=O)NCc3ccc(SC)cc3)n[nH]2)cc1 51315898 NSDXKGBDSXUSLT-UHFFFAOYSA-N 353.447 3.737 0 40 FHAB O=C(N[C@@H](c1ccccc1)C1CC1)[C@H]1CCCN(C(=O)c2cccs2)C1 32760255 IASUYYHBLWGVKN-HKUYNNGSSA-N 368.502 3.868 0 40 FHAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cccc(C(=O)N2[C@@H](C)CCC[C@H]2C)n1 102302078 KGZIUBMTJHBSHZ-WNKDZCFJSA-N 357.498 3.888 0 40 FHAB Cc1cccn(C(=O)c2ccc(F)cc2)/c1=N/C(=O)c1ccc(F)cc1 102384200 PZBUFUQTQHGXIN-PTGBLXJZSA-N 352.340 3.504 0 40 FHAB C[C@@H](NC(=O)CCc1nc(-c2cccnc2)no1)c1ccc(Cl)cc1 32824616 NNNLDYBIANBXEG-GFCCVEGCSA-N 356.813 3.595 0 40 FHAB Cc1cccc(OCC(=O)NCCCc2cn(-c3ccccc3)nc2C)c1 32912097 KENYGGLYLVUKEE-UHFFFAOYSA-N 363.461 3.617 0 40 FHAB CCOc1ccc2nc(NC(=O)c3ccc(NC(C)=O)cc3)sc2c1 811149 YHENBHNBIPKVBX-UHFFFAOYSA-N 355.419 3.906 0 40 FHAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)[C@@H]1COc2ccccc2O1 818346 SUMIUDONBPOZOM-KRWDZBQOSA-N 370.405 3.652 0 40 FHAB O=C1COc2ccc(C(=O)N[C@@H](c3ccc(Cl)cc3)C3CCC3)cc2N1 104462689 FNGSYGGLBRFIEW-LJQANCHMSA-N 370.836 3.942 0 40 FHAB COc1cc(C(=O)N(C)[C@H]2CCCc3ccccc32)cc(OC)c1OC 23151899 HOWJCQZYESRSEK-KRWDZBQOSA-N 355.434 3.862 0 40 FHAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(F)c2)n2ncnc2N1 646423 HJCLTIPEXBXRKZ-GOSISDBHSA-N 363.396 3.653 0 40 FHAB CC(C)(C)c1ccc(OCC(=O)NCCc2nc3ccccc3[nH]2)cc1 790634 HOMJJXZESBBYRL-UHFFFAOYSA-N 351.450 3.598 0 40 FHAB CCOc1ccc(N2C[C@H](C(=O)Nc3c(C)cccc3C)CC2=O)cc1 806778 GFZPKDNNODYXCD-MRXNPFEDSA-N 352.434 3.694 0 40 FHAB CC(C)Oc1ccc(N2C[C@@H](C(=O)Nc3ccc(F)cc3)CC2=O)cc1 810432 IQJVNZBCXJEBLX-AWEZNQCLSA-N 356.397 3.605 0 40 FHAB O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C/c1ccccc1Br 822616 GBMJFCGAMCENID-NTUHNPAUSA-N 372.174 3.522 0 40 FHAB Cc1cc(C)nc(S[C@@H](C)C(=O)Nc2ccc(Br)cc2)n1 873414 YUROOLPFTZROBG-NSHDSACASA-N 366.284 3.975 0 40 FHAB COC(=O)Cc1c(C)c2ccc(OCc3ccccc3C)cc2oc1=O 2096118 PFHLAEBFILZLLN-UHFFFAOYSA-N 352.386 3.704 0 40 FHAB biogenic Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCCC3=CCCCC3)ccc12 2630130 ZKROPJSZXBIJHG-HNNXBMFYSA-N 355.434 3.875 0 40 FHAB COc1ccccc1NC(=O)CSc1nccc(-c2cccs2)n1 2805423 QXCQTRIWFRLXNP-UHFFFAOYSA-N 357.460 3.945 0 40 FHAB C[C@H]1CCc2c(sc3ncnc(OCC(=O)NCc4cccs4)c23)C1 3271348 MEBNLKXMTJEEBZ-NSHDSACASA-N 373.503 3.573 0 40 FHAB O=C(Cc1cccc2ccccc12)OCC(=O)N1CCc2ccccc2C1 3295027 RJUGBDHRCPORTC-UHFFFAOYSA-N 359.425 3.510 0 40 FHAB C/C=C/C(=O)OCC(=O)Nc1sc(-c2ccccc2)cc1C(=O)OCC 3297890 CUBKGFSEBDEWHR-FPYGCLRLSA-N 373.430 3.650 0 40 FHAB CCOc1ncccc1C(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1 3325802 AWSIUOLDOFUCMR-UHFFFAOYSA-N 369.204 3.583 0 40 FHAB CCn1c2ccccc2c2nnc(SCC(=O)N(C(C)C)C(C)C)nc21 3383945 IKWRDEKGQWQSTD-UHFFFAOYSA-N 371.510 3.737 0 40 FHAB O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc(Br)cc1 3598811 LUARIKSVDNRWJQ-UHFFFAOYSA-N 374.190 3.573 0 40 FHAB COC(=O)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 4201661 SHKRZYHKMMCZBY-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB COC(=O)c1ccc2nc(NC(=O)c3nc4ccccc4s3)sc2c1 4275317 XHRUFDIUBZEDCC-UHFFFAOYSA-N 369.427 3.945 0 40 FHAB COc1ccc(OC)c(-c2noc(CSc3nc4ccccc4[nH]3)n2)c1 4385878 PMWMRCBTNRJDRK-UHFFFAOYSA-N 368.418 3.922 0 40 FHAB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1OC 4699086 LQTNVUYBCFKFAR-RFRKOGIWSA-N 366.417 3.970 0 40 FHAB Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2n[nH]c3ccccc23)c(C)c1 4824227 RGARDQDQWXNOEQ-CQSZACIVSA-N 351.406 3.672 0 40 FHAB CC(=O)N[C@@H]1C(=O)N(CCCOc2ccccc2Cl)c2ccc(C)cc21 4993249 COFHHIYHZSCXLP-IBGZPJMESA-N 372.852 3.641 0 40 FHAB CCCCNC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 5043517 UGHSGVLTGKAFBM-UHFFFAOYSA-N 352.316 3.538 0 40 FHAB CC1CCC(NC(=O)COC(=O)CCC(=O)c2ccc(Cl)s2)CC1 5246607 NPCSCYONXWLLRC-UHFFFAOYSA-N 371.886 3.603 0 40 FHAB COc1cccc(N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1 5345805 IBXFKJWOPRRZTO-UHFFFAOYSA-N 369.852 3.792 0 40 FHAB CC(=O)Nc1ccc(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)cc1 5350700 COKKGQGMLVMWLB-UHFFFAOYSA-N 364.401 3.725 0 40 FHAB O=C1[C@@H](c2ccccc2)N(c2ccccc2)C(=O)CN1c1ccccc1F 5482964 AUPXCUOPRFHZCO-OAQYLSRUSA-N 360.388 3.947 0 40 FHAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(NC(C)=O)cc2)cc1 5637509 MBMODUNWROGTIQ-UHFFFAOYSA-N 354.406 3.854 0 40 FHAB Cc1ccc2nc(-c3cccc(S(=O)(=O)N4CCC[C@@H](C)C4)c3)cn2c1 6163797 NVXUSAIHWGJJDK-OAHLLOKOSA-N 369.490 3.730 0 40 FHAB C[C@@H](NC(=O)c1ccc(CSc2ncn[nH]2)cc1)c1ccc(F)cc1 6416495 FCWZZCMKIHCMNI-GFCCVEGCSA-N 356.426 3.727 0 40 FHAB COc1ccc(CNC(=O)[C@@H](C)Sc2ccc3c(c2)OCCCO3)cc1 6436813 RMELYXKLIFTLHP-CQSZACIVSA-N 373.474 3.654 0 40 FHAB C[C@@H](OC(=O)c1ccc2ccccc2c1)C(=O)NC(=O)NC1CCCCC1 6460724 OCVLGJIQLKVBHS-CQSZACIVSA-N 368.433 3.544 0 40 FHAB CCc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(CC)CC)c2)cc1 6790437 PLAURMNXMMPICE-UHFFFAOYSA-N 360.479 3.532 0 40 FHAB C[C@@H](OC(=O)[C@H]1COc2ccccc2O1)C(=O)c1ccc(C(C)(C)C)cc1 7159325 JSAILPGWCXNFMD-AUUYWEPGSA-N 368.429 3.939 0 40 FHAB COc1cccc(C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)c1OC 7181527 KURIXZFDXOXEDK-UHFFFAOYSA-N 368.385 3.784 0 40 FHAB COc1cc(/C=C/C(=O)Nc2ccc3c(c2)CCC3)cc2c1OCCO2 7214089 JBRNBVLBYQSQEX-VMPITWQZSA-N 351.402 3.607 0 40 FHAB O=C(CSc1nnc(C2CC2)n1C1CC1)N1CC[C@H]2CCCC[C@H]2C1 7551032 DQGKLAQKUICNNE-HIFRSBDPSA-N 360.527 3.621 0 40 FHAB O=C(NC1CC1)c1cc2cc(Cc3ccccc3Cl)ccc2oc1=O 7602755 DOJVAUZXBAHVQA-UHFFFAOYSA-N 353.805 3.929 0 40 FHAB COC(=O)c1sccc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C 7708996 CAOXYKLSMKMWCM-UHFFFAOYSA-N 353.465 3.569 0 40 FHAB CC1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)CC1 7882510 LUCLBINEMKOXNK-NXYGQSRBSA-N 350.462 3.888 0 40 FHAB Cc1nc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3)n2C)sc1C 8388646 VVMPEVMPRYZVHJ-LBPRGKRZSA-N 373.507 3.675 0 40 FHAB Cc1cc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)nn1C 9001706 PDXOILBJZMWOJG-UHFFFAOYSA-N 364.430 3.963 0 40 FHAB O=C(NC[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)Nc1ccc(F)cc1 9040170 XKPWSGHDBPOKDA-GFCCVEGCSA-N 361.804 3.654 0 40 FHAB CC(C)CNC(=O)c1cn(Cc2ccccc2)nc1OCc1ccccc1 9071406 IWSWJNCQOPJKJS-UHFFFAOYSA-N 363.461 3.896 0 40 FHAB CCOc1cc2c(cc1OCC)CN(C(=O)c1ccc[nH]c1=S)CC2 10133550 PGEFMCCSQFBNEZ-UHFFFAOYSA-N 358.463 3.740 0 40 FHAB CCC(=O)Nc1ccc(C2=NN=C(NCCc3cccs3)SC2)cc1 11127102 DDHIJIRWTFWAJI-UHFFFAOYSA-N 372.519 3.736 0 40 FHAB CCc1c(C)sc2ncn(C3CCN(Cc4cccnc4)CC3)c(=O)c12 12145453 ALVWKHNSDDEXFM-UHFFFAOYSA-N 368.506 3.561 0 40 FHAB O=C(Nc1cccc(-c2csnn2)c1)c1cccc(N2CCCC2=O)c1 12202033 DLPIOWOEKVIHJO-UHFFFAOYSA-N 364.430 3.584 0 40 FHAB COCCNc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 12237294 JJNCRVWUXQCFCN-UHFFFAOYSA-N 357.479 3.558 0 40 FHAB Cc1ccccc1NC(=O)[C@@H](C)N1CCC[C@H](C(=O)Nc2ccccc2)C1 12326906 OMRSGQRINMGSON-MSOLQXFVSA-N 365.477 3.673 0 40 FHAB Cc1cc2c(cc1C)[C@@H](O)CC1(CCN(C[C@H](O)c3ccccc3)CC1)O2 12329253 DTQALJQSFYPEBS-SFTDATJTSA-N 367.489 3.688 0 40 FHAB O[C@H]1CC2(CCN(C[C@H](O)c3ccc(Cl)cc3)CC2)Oc2ccccc21 12329736 AFKAZPMURQQVBP-OALUTQOASA-N 373.880 3.724 0 40 FHAB COc1ccc(OC[C@@H]2[C@H]3CC[C@H](C3)N2C(=O)c2sc(C)nc2C)cc1 12408115 GLSHSTPPYBNSSP-HDMKZQKVSA-N 372.490 3.841 0 40 FHAB COc1ccc(Oc2cc(N[C@@H](C)C(=O)N3CCCC3)ccc2OC)cc1 12517544 QHMUKLXGNZFBBW-HNNXBMFYSA-N 370.449 3.919 0 40 FHAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CCn1ccc2ccccc21 12544010 PBWROGCIOIRLBY-UHFFFAOYSA-N 369.852 3.782 0 40 FHAB COc1ccc(O)c(C(=O)c2cnn(-c3cccc(Br)c3)c2)c1 12812316 SBZCZFVKUSGBNO-UHFFFAOYSA-N 373.206 3.580 0 40 FHAB O=C(c1cc2cc(Cl)ccc2o1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 12894687 KEXCLHRVBNGURS-OCCSQVGLSA-N 368.820 3.507 0 40 FHAB biogenic O=C(CCNC(=O)c1ccsc1)Nc1ccc(OC(F)F)c(Cl)c1 12938803 CDVCVCBFJBODIL-UHFFFAOYSA-N 374.796 3.762 0 40 FHAB Cc1cc(C)c(NC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)c(C)c1 12972174 SGFOPXWNDSEFOJ-INIZCTEOSA-N 352.434 3.755 0 40 FHAB CC(C)OC(=O)[C@H](C)N(C(=S)NC1CC1)c1ccc(F)c(Cl)c1 13691181 NOHQNOXAFZOODN-JTQLQIEISA-N 358.866 3.663 0 40 FHAB CCOc1ccccc1NC(=O)CN1CCN(c2ccc(C)cc2)[C@@H](C)C1 13737011 CWIVSDGFRCCJNU-SFHVURJKSA-N 367.493 3.543 0 40 FHAB COc1cc(C)c(CNC(=O)[C@H]2OCOc3ccccc32)cc1C(C)C 13995924 CHTHFAOTJAQRBH-FQEVSTJZSA-N 355.434 3.851 0 40 FHAB Cc1nc2cc(NC(=O)c3[nH]c(C)c(C(=O)OC(C)C)c3C)ccc2o1 15537586 RVPXSSKSJGYXSW-UHFFFAOYSA-N 355.394 3.899 0 40 FHAB COc1ccc(C)cc1Nc1nnc(Cc2ccc(Cl)cc2)c(O)n1 16807046 CXXHEDBXHBQVPL-UHFFFAOYSA-N 356.813 3.882 0 40 FHAB COC(=O)c1cc2cc(NC(=O)c3c(OC)cccc3OC)ccc2s1 20025482 ZAKGJDYONUNCHU-UHFFFAOYSA-N 371.414 3.957 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(Cl)cc1 21600933 QSUMDFGICLKQHG-SWLSCSKDSA-N 372.683 3.863 0 40 FHAB Cc1ccc(-c2nc(C)sc2CC(=O)N[C@H](C)c2cnn(C)c2C)cc1 24998298 RNINFXQFHDBBKL-CYBMUJFWSA-N 368.506 3.889 0 40 FHAB COCc1ccc(C(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)cc1 25536813 ZRDKQCYOMGWNII-JOCHJYFZSA-N 366.505 3.646 0 40 FHAB CNC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1[C@@H]1CCC[C@@H](C)[C@@H]1C 26488942 ISZZNILOTVTRHA-XJIUQZFPSA-N 373.522 3.620 0 40 FHAB COc1ccc(-c2nsc(NC(=O)c3ccccc3F)n2)cc1OC 27794713 OQHISKBRSRTAEZ-UHFFFAOYSA-N 359.382 3.614 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)c1 28574013 STSIWJNTQOWPQA-UHFFFAOYSA-N 357.797 3.795 0 40 FHAB O=C(COc1cccc2ccccc12)NCc1ccc(-n2ccnc2)cc1 30758272 SZMKRBBZQUONSX-UHFFFAOYSA-N 357.413 3.721 0 40 FHAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)[C@@H]1CCCO1 32900596 NHLBMBOJGKPFJO-KXBFYZLASA-N 352.434 3.637 0 40 FHAB CC[C@H](C)[C@H](C(=O)Nc1ccc(N2CCOCC2)nc1)c1ccccc1 32903603 GJXBYBGRGFEREY-JXFKEZNVSA-N 353.466 3.687 0 40 FHAB COc1ccc(NC(=O)Cc2ccc(C)cc2)cc1N1CCCCC1=O 32924859 WDXKEWWUAKOTDM-UHFFFAOYSA-N 352.434 3.702 0 40 FHAB CCN(Cn1nc(-c2ccc(F)cc2)oc1=O)C1C2CC3CC(C2)CC1C3 32935468 FBOXBBSHKZAYRH-UHFFFAOYSA-N 371.456 3.747 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(C)cc2)cc1 35289632 DNYQEAGMUMOTRI-LJQANCHMSA-N 365.433 3.833 0 40 FHAB C[C@H]1Nc2ncnn2[C@@H](c2ccccc2)[C@H]1C(=O)Nc1ccc(Cl)cc1 36701502 PPYDHAFKAWNMRG-DQYPLSBCSA-N 367.840 3.590 0 40 FHAB Cc1cc(=O)oc(C)c1C(=O)O[C@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 40017800 AMRCVQDVTGSFIN-BUBBNXEVSA-N 358.434 3.587 0 40 FHAB CCC/C=C/C(=O)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 40062128 GECABULTIIXAHJ-LHHJGKSTSA-N 361.445 3.808 0 40 FHAB COc1ccc(CN[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1OC 40088613 GDMMXDFLJRUWML-IBGZPJMESA-N 371.868 3.970 0 40 FHAB CCN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 40104087 ZEOTVJHOQYMFFQ-UHFFFAOYSA-N 362.433 3.705 0 40 FHAB COc1cc(C(C)=O)ccc1OCCCC(=O)n1cccc/c1=N\C(C)C 40132413 ZDWWTXZGAQFPQI-LSDHQDQOSA-N 370.449 3.508 0 40 FHAB COC[C@H](C)N(C)C(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C 40145776 NJADCXBDFAQRIE-JTQLQIEISA-N 359.451 3.675 0 40 FHAB CC(C)c1nnc2ccc(SCC(=O)Nc3ccc(Cl)cc3)nn12 44903551 JWAZJSMQMZFOQN-UHFFFAOYSA-N 361.858 3.632 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(OC(C)C)s2)c1C 48309190 QYZVJJYKCVMVRP-NSHDSACASA-N 367.496 3.836 0 40 FHAB Cc1nc2nc(SCc3csc(-c4ccccn4)n3)nn2c(C)c1C 48366695 VDJIWUGOCHFWBI-UHFFFAOYSA-N 368.491 3.860 0 40 FHAB O=C(CCc1ccc(Cl)s1)NC1CCN(Cc2ccncc2)CC1 57167736 XPBPSAMDRGVNHO-UHFFFAOYSA-N 363.914 3.510 0 40 FHAB Cc1ccn2cc(C(=O)Nc3nc(CN4CCC(C)CC4)cs3)nc2c1 57767847 AARPRSJMZOCPPG-UHFFFAOYSA-N 369.494 3.583 0 40 FHAB CCOC(=O)[C@H](CNC(=O)Nc1cccc(Cl)c1)Cc1ccccc1 58155722 LXHQCYDRNVTZIC-HNNXBMFYSA-N 360.841 3.884 0 40 FHAB Cc1ncc(CN(C)C(=O)Nc2ccccc2N2C[C@H](C)O[C@H](C)C2)s1 58282566 OQPYAYKDNKZHRJ-OKILXGFUSA-N 374.510 3.729 0 40 FHAB O=C(/C=C/c1ccco1)NCC1CCN(c2nc3ccccc3s2)CC1 70931440 NRBOCHCMUZWZJT-BQYQJAHWSA-N 367.474 3.935 0 40 FHAB Nc1cccc(Cl)c1N1CCN(C(=O)c2ccccc2Cl)CC1 72230192 RHHREFSTKLOGQL-UHFFFAOYSA-N 350.249 3.538 0 40 FHAB O=C(Nc1ccc(OC(F)F)cc1)N1CCN(Cc2ccsc2)CC1 84475284 FYGIJMZMPDYRPQ-UHFFFAOYSA-N 367.421 3.699 0 40 FHAB COc1cccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCCC(=O)O)c1 89469796 DCQZESWYZANJMA-LJQANCHMSA-N 366.417 3.628 0 40 FHAB CC(C)(C)c1ccc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 91368849 XBNNNROLVWMWES-GOSISDBHSA-N 355.434 3.906 0 40 FHAB CC[C@H](C)n1nccc1NC(=O)N(CCO)[C@@H]1CCCc2ccccc21 95446395 HFGOFQZHKKUWTD-MAUKXSAKSA-N 356.470 3.758 0 40 FHAB O=C(N[C@H]1CCN(CC(F)(F)F)C1)C1(c2ccc(Cl)cc2)CCCC1 95957143 CWJFIIWYAGEETC-HNNXBMFYSA-N 374.834 3.905 0 40 FHAB CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1cccc(C(F)(F)F)c1)C2 96229816 IQYFXWKXNWGMOZ-SFHVURJKSA-N 368.399 3.713 0 40 FHAB CN(C)c1ccc(C(=O)Nc2cnccc2Nc2ccc(F)cc2)cn1 97033707 YOLYQGLGDFIDLI-UHFFFAOYSA-N 351.385 3.678 0 40 FHAB CCc1ccc(C(=O)N2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)cc1 98211678 JYQPGJDQUVCTNN-UHFFFAOYSA-N 360.461 3.602 0 40 FHAB C[C@@H]1Cc2cc(CN3C[C@@H]4CCC[C@@H](C3)C4(O)c3ccccn3)ccc2O1 100149101 GTPPEZDUZPHZMZ-UXPWSPDFSA-N 364.489 3.525 0 40 FHAB Cc1nn(CCC(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c(C)c1Br 101616424 NETKLWUSJJMSHT-QOWREQOWSA-N 368.319 3.593 0 40 FHAB CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 113943690 JVYJTAHTIJRNMR-HNNXBMFYSA-N 360.479 3.556 0 40 FHAB O=C(NC(c1ccccc1)c1ccccc1)N[C@H]1CCN(c2ccccn2)C1 178851849 WGYIHNSXBCUOFP-FQEVSTJZSA-N 372.472 3.749 0 40 FHAB COc1ccc([C@H](CC(C)C)NC(=O)COc2cccc(OC)c2)cc1 222792730 ZRTYUMPXCJSHLI-FQEVSTJZSA-N 357.450 3.986 0 40 FHAB COc1ccc(CSCC(=O)NCCOc2ccc(Cl)cc2)cc1 223431722 YHVWCQIXPXXNGQ-UHFFFAOYSA-N 365.882 3.777 0 40 FHAB CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CC 223544419 FLQLMPLNVGROGQ-NRFANRHFSA-N 368.477 3.701 0 40 FHAB CCN(c1ccc(Br)cc1F)S(=O)(=O)c1ccccc1 224674550 BSFQUMYEOFRMNR-UHFFFAOYSA-N 358.232 3.803 0 40 FHAB Cc1cccc(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)c1 225496183 ZKBAHYZSLZDPII-IBGZPJMESA-N 366.505 3.788 0 40 FHAB Cc1ncsc1CN1CCC2(CC1)OCC[C@H]2CCOc1cccnc1 248056047 UIOBHPMZTYQRKK-QGZVFWFLSA-N 373.522 3.687 0 40 FHAB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 253571099 OMQIGGFEMPAXNV-XOUADPBQSA-N 358.235 3.707 0 40 FHAB Cn1cncc1-c1nccnc1C1CCN(C(=O)CC2CCCCC2)CC1 257337368 YSMTXMCNBGDTDT-UHFFFAOYSA-N 367.497 3.554 0 40 FHAB COc1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 408628153 UZQNTMNQILECTE-UHFFFAOYSA-N 360.262 3.968 0 40 FHAB CC(C)(C)C(=O)NC(=S)Nc1ccc(NC(=O)Cc2ccccc2)cc1 408628366 RVTSAPMFQNUXIL-UHFFFAOYSA-N 369.490 3.727 0 40 FHAB O=C(CN1C(=O)S/C(=C/c2ccco2)C1=O)Nc1cccc(Cl)c1 409157728 RQIVXPRIAULCMN-MDWZMJQESA-N 362.794 3.608 0 40 FHAB O=C(NCCC1=CCCCC1)C(=O)NCc1ccc(-c2cccs2)o1 575609662 ZYOQNUHVSUGHEX-UHFFFAOYSA-N 358.463 3.631 0 40 FHAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)c2ccoc2C2CC2)cc1 583622209 ZGUMJWQJNOVSNE-WIYYLYMNSA-N 355.434 3.678 0 40 FHAB O=C(c1ccc(C(F)(F)F)nc1)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 585148872 KGIIDVLOVCFNPY-OAHLLOKOSA-N 362.351 3.665 0 40 FHAB CC1(C)C[C@@H](c2ccccc2)N(C(=O)Nc2ccc(F)c(C(N)=O)c2)C1 644989777 WQRNTGXKSBRMFG-KRWDZBQOSA-N 355.413 3.930 0 40 FHAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1 654412037 YNLHXLJSMKFDSG-UFYCRDLUSA-N 358.482 3.720 0 40 FHAB CN(C)[C@H]1C[C@@H](CNC(=O)NCc2ccc(-c3ccccc3)cc2F)C1 654572359 NIRCDZJDAJDYGW-GLRZTSSQSA-N 355.457 3.632 0 40 FHAB Cc1ccc([C@H](C)NC(=O)NCC2CCN(c3ccncc3)CC2)c(C)c1 678502740 RBUKRKNBUKHWQI-SFHVURJKSA-N 366.509 3.975 0 40 FHAB Cc1cc(OC[C@H]2CCCN(C(=O)c3ccc4ncsc4c3)C2)ccn1 1775970648 PKAHWZCPKZRFBM-HNNXBMFYSA-N 367.474 3.931 0 40 FHAB Fc1cccc(CN2CC[C@H](Oc3ccncc3Br)C2)c1 1888860538 WOAGYZSRHXSNBZ-AWEZNQCLSA-N 351.219 3.637 0 40 FHAB CC1=C(C(=O)O[C@@H](C)C(C)(C)C)[C@H](c2ccc(Cl)cc2)NC(=O)N1 706497 NXMVPKJCXSMFSL-NHYWBVRUSA-N 350.846 3.946 0 40 FHAB CC(C)(C)c1ccc(-c2nnc(SCC(N)=O)n2-c2ccccc2)cc1 862367 LUBMRSFEORHSCN-UHFFFAOYSA-N 366.490 3.809 0 40 FHAB COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccccc3)C[C@H]21 934797 GVASVUVYSBNTIP-LJQANCHMSA-N 363.461 3.661 0 40 FHAB CCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1OCC 936340 NSDORWBLWIWOPR-UXBLZVDNSA-N 369.417 3.907 0 40 FHAB Cn1nc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c2ccccc2c1=O 1431674 AEFJOTFEDNLPCD-UHFFFAOYSA-N 367.408 3.757 0 40 FHAB COc1cc(C(C)=O)cc(-c2cc(C(C)=O)cc(OC)c2OC)c1OC 1676039 UFABOERRPFSOJD-UHFFFAOYSA-N 358.390 3.793 0 40 FHAB COc1ccc(OC)c(/C=C2\SC(=O)N(c3ccc(O)cc3)C2=O)c1 2383354 LPXYGNHAAYOPIK-YBEGLDIGSA-N 357.387 3.650 0 40 FHAB CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2)N2C(=O)[C@H](C)SC2=N1 2463291 HGLRNHIMODHMIS-BBRMVZONSA-N 358.463 3.534 0 40 FHAB O=C(CSc1nnc(Nc2ccccc2)s1)NCc1ccc(F)cc1 2625625 XKLQTJDCQNVJGH-UHFFFAOYSA-N 374.466 3.829 0 40 FHAB O=C(CSc1nccn1-c1ccc(Cl)cc1)NCc1ccccc1 2723707 ZBJKVCICQDBLCD-UHFFFAOYSA-N 357.866 3.934 0 40 FHAB CCc1cccc(C)c1NC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C 3548604 ZAWTZLUYCRFULT-IBGZPJMESA-N 368.477 3.959 0 40 FHAB COc1ccc(-c2nnc(NC(=O)c3ccc(Cl)s3)o2)c(OC)c1 4330037 DDSXTPWCLZEISR-UHFFFAOYSA-N 365.798 3.721 0 40 FHAB CCc1cccc(CC)c1NC(=O)c1ccccc1NC(=O)CCC(=O)O 4593120 DUBZYJPAAUOOOI-UHFFFAOYSA-N 368.433 3.867 0 40 FHAB CSc1cccc(NC(=O)c2nnn(Cc3cccc(Cl)c3)c2N)c1 4852420 KIRNMJADIBPANY-UHFFFAOYSA-N 373.869 3.536 0 40 FHAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 5114394 YNCAKUVFRZCDRS-NSHDSACASA-N 367.323 3.898 0 40 FHAB CCOc1cccc(C(=O)Nc2nnc(-c3ccccc3OC)s2)c1 5500521 TYBUKSLVLOKKRA-UHFFFAOYSA-N 355.419 3.865 0 40 FHAB O=C(CCCOc1ccccc1)Nc1cc(Cl)ccc1N1CCOCC1 6830923 NDRQYPBLSCRTRT-UHFFFAOYSA-N 374.868 3.974 0 40 FHAB CC(=O)c1cc2c(cc1NC(=O)CSc1ccc(C)cc1C)OCO2 6917132 XZCZQEFANBQUMZ-UHFFFAOYSA-N 357.431 3.966 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccc2ccc(=O)oc2c1 7634443 LPXPLMGNYIWITC-ZDUSSCGKSA-N 353.374 3.516 0 40 FHAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc(C)c(F)c2)c(OC)c1 7739657 LGKQSHLMRIULIB-IBGZPJMESA-N 372.440 3.927 0 40 FHAB CN(Cc1ccc2c(c1)OCO2)C(=O)/C=C/c1nc2ccccc2s1 7988395 JEYLDQOVEBBBDD-CMDGGOBGSA-N 352.415 3.697 0 40 FHAB Cc1cccc(COc2ccccc2C(=O)NCc2nnc3ccccn23)c1 7988855 GCFMKLQIBCFABD-UHFFFAOYSA-N 372.428 3.547 0 40 FHAB Cc1cc(C)cc(NC(=O)c2ccc(NC(=O)CCCC(=O)O)cc2)c1 8434577 OEZJPEOXVFURGZ-UHFFFAOYSA-N 354.406 3.749 0 40 FHAB Cn1c(SCCCOc2ccc(C(=O)O)cc2)nnc1-c1ccccc1 8731718 MGCPXQWJGCFYFT-UHFFFAOYSA-N 369.446 3.742 0 40 FHAB CCCOc1ccc(-c2nc3ccc(OC(=O)CC)cc3c(=O)o2)cc1 8908297 UNBXTUBTUGMZRR-UHFFFAOYSA-N 353.374 3.959 0 40 FHAB COc1ccc([C@@H](CNC(=O)c2ccccc2F)N2CCCCC2)cc1 8916786 IEJQMOFBHFNVNI-HXUWFJFHSA-N 356.441 3.791 0 40 FHAB biogenic Cc1nc2scc(C)n2c(=O)c1NC(=O)c1ccc(C(F)(F)F)cc1 8931722 FRZHPXLEWNPXSM-UHFFFAOYSA-N 367.352 3.644 0 40 FHAB COc1ccc(-c2nnc3n2N=C(c2ccc(C)cc2)CS3)cc1OC 9289845 GURHCNWDSYCBQH-UHFFFAOYSA-N 366.446 3.629 0 40 FHAB COc1ccc(-n2ccnc(NCc3ccc(F)cc3)c2=O)cc1Cl 9320246 HGRRRTSKGHRCJW-UHFFFAOYSA-N 359.788 3.646 0 40 FHAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)NCc1ccco1 9591367 SICHEQLMEHJWHP-UHFFFAOYSA-N 370.236 3.757 0 40 FHAB O=C(CN1CCC[C@H]1c1cccs1)Nc1ccc2c(c1)OC(F)(F)O2 9647380 OIHMHRBWPJIMTE-LBPRGKRZSA-N 366.389 3.845 0 40 FHAB COc1ccc(-n2ccnc(SCc3ccccc3F)c2=O)cc1OC 9761366 OJKJCNBYHZOITF-UHFFFAOYSA-N 372.421 3.681 0 40 FHAB NC(=O)[C@H](OC(=O)COc1ccccc1-c1ccccc1)c1ccccc1 10430159 JCYISEAEEHRASR-OAQYLSRUSA-N 361.397 3.502 0 40 FHAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(F)c(F)c3)ccc21 10972303 FLYPKAPITYMKRN-UHFFFAOYSA-N 374.387 3.989 0 40 FHAB CN1C(=O)COc2ccc(-c3csc(NC(=O)C4CCCCC4)n3)cc21 11904264 NBIXGDWUXLNDQZ-UHFFFAOYSA-N 371.462 3.684 0 40 FHAB CCn1nc(C)c(CCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1C 12221298 BTCFQMBIPZQEKK-IBGZPJMESA-N 365.481 3.692 0 40 FHAB Cc1ccc2c(c1)CCCN2CC(=O)NCCc1nc2ccccc2s1 12554583 WZDSKAZHNHVUPB-UHFFFAOYSA-N 365.502 3.716 0 40 FHAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)Nc1cccc(C)c1 12754149 WDZGHCVBDKNONO-UHFFFAOYSA-N 359.857 3.819 0 40 FHAB O=C(Nc1ccccc1)N1CCN(CCOc2ccccc2Cl)CC1 12807384 IUZVKRFRSTUSCO-UHFFFAOYSA-N 359.857 3.569 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)N[C@@H](C)c1cc2ccccc2o1 12882732 YFVVIGAEELGWFD-ZDUSSCGKSA-N 367.401 3.900 0 40 FHAB CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)o2)cc1 12893442 FINRKXQHWLJTGF-UHFFFAOYSA-N 361.357 3.571 0 40 FHAB CNC(=O)c1ccc(CN(C(=O)c2ccc(Cl)cc2F)C2CC2)cc1 12977547 KWXPUQNZYRBDHI-UHFFFAOYSA-N 360.816 3.644 0 40 FHAB COc1cc(NC(=O)CN(C)Cc2ccc3ccccc3c2)cc(OC)c1 12982199 WGFKJISOHOUCCU-UHFFFAOYSA-N 364.445 3.928 0 40 FHAB CCOC(=O)c1cccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)c1 13670103 RTCGXQKJXQOEPB-UHFFFAOYSA-N 374.396 3.615 0 40 FHAB CN(CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCCc2ccccc21 14017071 LYMSNBNHDITCHJ-MRXNPFEDSA-N 374.387 3.956 0 40 FHAB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2nccs2)cc1 14461953 WHKOWLSQIPTKPG-OKILXGFUSA-N 373.478 3.564 0 40 FHAB CCn1c(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)nc2ccccc21 14508203 VKIYVYMODUKVKW-OAHLLOKOSA-N 362.433 3.586 0 40 FHAB COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3[nH]2)cc1 15084791 QJPJPTLBSMOCTD-HNNXBMFYSA-N 373.416 3.540 0 40 FHAB COc1ccccc1CNC(=O)c1ccc(COc2ccc(F)cc2)o1 15316590 IXTLKBPFRAXAHF-UHFFFAOYSA-N 355.365 3.936 0 40 FHAB Cc1cc(S(=O)(=O)NC[C@@H](C)c2ccccc2)ccc1Br 15584342 VQNDZQYEPKTTMO-CYBMUJFWSA-N 368.296 3.840 0 40 FHAB COc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1cccc2ccccc12 15881262 XCVNZHYVXUYIBN-UHFFFAOYSA-N 371.396 3.647 0 40 FHAB Cc1noc(N)c1C(=O)OCC(=O)Nc1c(C(C)C)cccc1C(C)C 16326603 HLKYLNPBUJHXBW-UHFFFAOYSA-N 359.426 3.608 0 40 FHAB CCN(CC)CCC[C@H](C)NC/C=C\CN[C@H](C)CCCN(CC)CC 17025199 SKSMATDELKNRQJ-WDKHUQPNSA-N 368.654 3.743 0 40 FHAB Cc1cc(C)n([C@@H](C(=O)Nc2cccc(Cn3cccn3)c2)C(C)C)n1 19659572 RRYGLTMDEXMNEW-LJQANCHMSA-N 351.454 3.581 0 40 FHAB COc1ccc(-c2n[nH]cc2-c2cncn2CCN(C)C2CCCC2)cc1 19719572 AHILIJBHUIRXEG-UHFFFAOYSA-N 365.481 3.823 0 40 FHAB Cn1cc(CN2CCC(CC(=O)N3CCCC3)CC2)c2cc(F)ccc21 19748504 INGIRQYNAHSDKM-UHFFFAOYSA-N 357.473 3.542 0 40 FHAB COc1cc(OC)cc(C(=O)N[C@H](C)c2cccc(Br)c2)c1 20025282 COJHAZWASCVEBU-LLVKDONJSA-N 364.239 3.957 0 40 FHAB O[C@@H](CN1CCN(c2ccccc2F)CC1)c1ccc(C(F)(F)F)cc1 20218804 ATWBCLBKGGRUAZ-SFHVURJKSA-N 368.374 3.700 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2c(OC)cccc2OC)c(Cl)c1 20491969 BEEVGYXCLMYHBG-UHFFFAOYSA-N 363.797 3.786 0 40 FHAB O=C(Nc1ccc(F)cc1)c1nnc(CN2CC[C@@H]3CCCC[C@@H]3C2)s1 22893100 UCEURENELBHAFF-UONOGXRCSA-N 374.485 3.942 0 40 FHAB Cc1ccc([C@@H](CNC(=O)c2ccc3ccccc3c2)N2CCOCC2)cc1 23105865 CWPSBTMDYCCKQG-HSZRJFAPSA-N 374.484 3.952 0 40 FHAB CC(C)c1cc(NC(=O)COc2ccc(F)cc2Br)on1 23424684 FSSKTGCIHMGQOM-UHFFFAOYSA-N 357.179 3.717 0 40 FHAB O=C(CCc1cccnc1)N1CCN(Cc2cccc3ccccc23)CC1 23957220 GFLWFVMTOYQVKJ-UHFFFAOYSA-N 359.473 3.512 0 40 FHAB CCN(Cc1ccc(OC)c(OC)c1)Cc1nc(-c2cccs2)no1 24245569 TWNRXWHWSQKYBY-UHFFFAOYSA-N 359.451 3.837 0 40 FHAB C[C@H](NC(=O)CNC(=O)Nc1ccccc1)c1ccc(Cl)c(Cl)c1 24828352 WVEFZQGQHAOUGS-NSHDSACASA-N 366.248 3.992 0 40 FHAB CCN(Cc1cccs1)C(=O)c1ccc(OCc2noc(C)n2)cc1 25288612 USOXXTVXOLPKCT-UHFFFAOYSA-N 357.435 3.681 0 40 FHAB Cc1c(Br)c(C(=O)Nc2ccc(C(F)(F)F)cc2)nn1C 28304185 JJLAHFQVWCTHCQ-UHFFFAOYSA-N 362.149 3.762 0 40 FHAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1csc2c1CCCC2 30399278 GABGZJSUJATMML-UHFFFAOYSA-N 354.475 3.684 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 32553781 JEYISHBTBAWQJA-UHFFFAOYSA-N 356.447 3.705 0 40 FHAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1 32769604 GHJXTPPVSXZLAU-UHFFFAOYSA-N 359.447 3.664 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 32816890 SGVVMCXDGIKSBD-GFCCVEGCSA-N 372.350 3.878 0 40 FHAB O=c1[nH]c(CN2CCC(c3c[nH]c4ccccc34)CC2)nc2ccsc12 32825226 DWZZRGUPPLXFGY-UHFFFAOYSA-N 364.474 3.846 0 40 FHAB CC(C)CS(=O)(=O)CCC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 40117680 GSGQZABJLMPZEN-KRWDZBQOSA-N 373.518 3.992 0 40 FHAB COc1ccccc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 40140092 QPSCDPLYIMVVQA-UHFFFAOYSA-N 369.371 3.900 0 40 FHAB CCOCc1ccc(CNC(=O)C(=O)Nc2ccc3sccc3c2)cc1 41591189 AZPHUUXNEBEWLQ-UHFFFAOYSA-N 368.458 3.693 0 40 FHAB COc1ccccc1CCC(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 44900425 KRHZGVPKCHFJND-IBGZPJMESA-N 365.433 3.994 0 40 FHAB Cc1cc(NC(=O)c2ccc(Br)o2)n(-c2ccccc2F)n1 48367854 NZSZYFJZRVSPGO-UHFFFAOYSA-N 364.174 3.928 0 40 FHAB CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NCc2ccc(C)nc2)CC1=O 49195877 FRJOMNXJCWIYJX-MAUKXSAKSA-N 365.477 3.573 0 40 FHAB COC(=O)C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(F)cc1 52868713 ZHRVGTLWDYIEIF-OAHLLOKOSA-N 369.314 3.879 0 40 FHAB CC(=O)Nc1ccc(O)c(C(=O)N(C)Cc2csc3ccccc23)c1 55257290 GZPNHBLPOSDRPZ-UHFFFAOYSA-N 354.431 3.838 0 40 FHAB CCOC(=O)[C@H]1CC(=O)N(c2ccc3oc(-c4ccc(F)cc4)nc3c2)C1 57327001 NHVRHYJPEAOCCJ-ZDUSSCGKSA-N 368.364 3.550 0 40 FHAB COCC(=O)Nc1ccc(NC(=O)N[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 58162778 FFELXQALUPKUFV-JCGIZDLHSA-N 361.486 3.854 0 40 FHAB CSc1ccc(Cl)c(C(=O)Nc2ccc(OCCC(N)=O)cc2)c1 58208719 ULAZVJNLLHDJIJ-UHFFFAOYSA-N 364.854 3.568 0 40 FHAB NNc1nc2ccc(NC(=O)c3cccc(Br)c3)cc2s1 72229757 MOVJLJKKGKDRNC-UHFFFAOYSA-N 363.240 3.597 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)Nc2cnn(CCc3ccccc3)c2)c1 72247134 GGORCIIOGGJUBD-UHFFFAOYSA-N 355.463 3.543 0 40 FHAB c1csc(-c2cnc(NCCN3CCCC3)nc2-c2nccs2)c1 72396535 LNJWUVBYTFFXDB-UHFFFAOYSA-N 357.508 3.836 0 40 FHAB CCN(Cc1ccccn1)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 84441387 YFUIVEDOMZBLNO-KRWDZBQOSA-N 372.900 3.936 0 40 FHAB COc1ccc([C@H](O)[C@H](C)Nc2nccc(OCc3ccccc3)n2)cc1 89634526 PWWLMVGBDLSMSP-MGPUTAFESA-N 365.433 3.598 0 40 FHAB Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 95349619 TWOXGGWCJWWYPQ-JKSUJKDBSA-N 365.399 3.518 0 40 FHAB CC(C)c1cc(C(=O)N2CCC(c3nccn3CC3CCC3)CC2)no1 95506312 LDSXTDXAPIWQLY-UHFFFAOYSA-N 356.470 3.814 0 40 FHAB O=C(O)C(F)(F)C(F)(F)C(F)(F)C(=O)c1cc(F)cc(Cl)c1 95634019 GAWNXEQMXWNRHZ-UHFFFAOYSA-N 352.589 3.652 0 40 FHAB CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)c2cc(Br)ccc21 96669504 ZYVBSLGPRCJQQD-AWNIVKPZSA-N 358.191 3.695 0 40 FHAB FC(F)(F)COc1ccc(NCc2cnn(Cc3ccccc3)c2)cn1 97393528 OAKSNTLWTROYHS-UHFFFAOYSA-N 362.355 3.880 0 40 FHAB CCN(CC)c1ccc(NC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cn1 103318274 BFXOOMDZOHLYIA-AJHHTPGJSA-N 357.498 3.588 0 40 FHAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCc1ccc(F)cc1 110933623 OLBBUVUQGZMPBJ-UHFFFAOYSA-N 362.253 3.795 0 40 FHAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(Br)c(Cl)c1 160369433 JEMXIXIVYNSFNQ-UHFFFAOYSA-N 365.636 3.508 0 40 FHAB Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc3c(c2)OCC(=O)N3)s1 193441443 QYDWHWVMOUZFHQ-UHFFFAOYSA-N 365.414 3.702 0 40 FHAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCC3)c(C)c1C 223254416 BTEKOLSYTURBDP-OAHLLOKOSA-N 359.491 3.840 0 40 FHAB CCOc1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1Cl 223729186 MUZQVGOKTRDIBZ-UHFFFAOYSA-N 357.797 3.719 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)Cc2ccc(Cl)cc2F)c1 224370566 MLSJPALIQBOXTR-LLVKDONJSA-N 351.805 3.916 0 40 FHAB Cc1ccccc1O[C@H](C)C(=O)NCc1cccc(CN2CCCC2)c1 224623202 ZTLPAWLDBAJPJR-GOSISDBHSA-N 352.478 3.675 0 40 FHAB COc1ccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1OC 225160396 UDSMZFHAWDKWEL-OAHLLOKOSA-N 369.461 3.666 0 40 FHAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1 225168621 BNNQJTJTDZPZOY-QGZVFWFLSA-N 370.468 3.702 0 40 FHAB CC[C@@H](NC(=O)c1cc(C)c(C)cc1C)c1ccc(S(C)(=O)=O)cc1 225651028 FBSLPUWWGMRCIU-LJQANCHMSA-N 359.491 3.896 0 40 FHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(OC)nc1 225688985 KOVFJPKPORPBBN-HNNXBMFYSA-N 373.478 3.688 0 40 FHAB CCOC(=O)c1cc(NC(=O)[C@](C)(CC)OC)ccc1O[C@H](C)CC 225790898 GYNMKILMNUFIGJ-YJYMSZOUSA-N 351.443 3.794 0 40 FHAB CCOc1ncc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1C 225875748 YRXNEOAYAWNHLV-UHFFFAOYSA-N 358.413 3.615 0 40 FHAB CCC(=O)NC(=S)Nc1ccc(-c2ccc(C(=O)O)o2)c(Cl)c1 226351390 AJDAGBQFXCSVMC-UHFFFAOYSA-N 352.799 3.521 0 40 FHAB O=C(Cc1ccccc1Cl)NC[C@](O)(c1ccoc1)c1cccs1 238818192 BZEIYHBWMZHHHO-SFHVURJKSA-N 361.850 3.589 0 40 FHAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)c1 408584135 MCPLHEVOTYJNBU-UHFFFAOYSA-N 374.506 3.798 0 40 FHAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3ccccc3)C(=O)[C@@H]2C1 408675147 ACGCJARYJHVROS-FUHWJXTLSA-N 360.413 3.785 0 40 FHAB COc1cc(CNc2ccccc2)cc(I)c1O 409122393 XTVSOHOEWAHNDE-UHFFFAOYSA-N 355.175 3.618 0 40 FHAB C[C@@H]1CCCC[C@H]1OCCNC(=O)NCc1ccccc1OC(F)(F)F 503149830 LVAGTGYYLRFMKN-UKRRQHHQSA-N 374.403 3.980 0 40 FHAB COc1cc(C2(C(=O)N3CC[C@H](OC(F)F)C3)CCCC2)ccc1C 585080613 MXKQRHFVHVAUGF-HNNXBMFYSA-N 353.409 3.656 0 40 FHAB CC(C)(C)S(=O)(=O)[C@@H]1CCN(C(=O)CCc2cccc3ccccc23)C1 585146876 HZBNNQSWCBYQJL-GOSISDBHSA-N 373.518 3.587 0 40 FHAB FC(F)(F)c1cccc(OCC2CCN(c3ncc(Cl)cn3)CC2)n1 585532596 UOSFACPTJIXREA-UHFFFAOYSA-N 372.778 3.839 0 40 FHAB COc1cc(C(=O)N2[C@H](C(=O)O)CC[C@H]2c2ccccc2)ccc1Cl 621589152 PCPBASRPCPCVDZ-HOTGVXAUSA-N 359.809 3.779 0 40 FHAB CC[C@@H](NC(=O)N[C@@H]1CCc2ccccc2NC1=O)c1cc(F)ccc1F 654456093 QVXSEKYTDJPUKU-SJLPKXTDSA-N 373.403 3.669 0 40 FHAB C[C@H](N[C@H]1CCN(c2ncccc2Cl)C1)c1ccc(C(F)F)nc1 657904427 MINOIEJGRAILBW-AAEUAGOBSA-N 352.816 3.997 0 40 FHAB CC[C@@H]1CN(C(=O)c2cccc(N[C@H](C)C(C)C)c2C)C[C@@]2(CCOC2)O1 684523864 NKVWJILJPNTRQV-JBYIUTFZSA-N 374.525 3.862 0 40 FHAB C[C@@H](NC(=O)c1ccccc1N1CCCC1=O)c1ccccc1OC(F)F 1115839689 UKXXENDNXFKNHP-CYBMUJFWSA-N 374.387 3.906 0 40 FHAB Fc1cnc(OC2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)nc1 1204416207 JZUQMJXFOWAPRI-UHFFFAOYSA-N 371.334 3.558 0 40 FHAB COc1ccc2[nH]c(C)c(CCN3C(=O)OC4(CCCCC4)[C@]3(C)O)c2c1 970259 AFMHFTYHDQLEPJ-FQEVSTJZSA-N 372.465 3.891 0 40 FHAB Cc1ccc(C(=O)N[C@H](NC(=O)Nc2ccccc2F)C(F)(F)F)cc1 1440447 YIEONCNDGXOEMM-OAHLLOKOSA-N 369.318 3.574 0 40 FHAB CC(C)(C)OC(=O)NCCc1nnc(SCc2cccc(F)c2)o1 2396650 DRYYKKQLDMIOFJ-UHFFFAOYSA-N 353.419 3.568 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nnc2ccccn12 3505514 YLGMAJHFOVQXTE-JTQLQIEISA-N 362.842 3.511 0 40 FHAB CCOc1cc(C(=O)Nc2cccc(O)c2)cc(Br)c1OC 4723298 JRXAMLGFVCCLRT-UHFFFAOYSA-N 366.211 3.814 0 40 FHAB Cc1cc(C)nc(N2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)n1 4966087 MAXZRUJMFYTRNW-UHFFFAOYSA-N 358.873 3.910 0 40 FHAB CCOc1ccc(NC(=O)c2cccn(Cc3cccc(F)c3)c2=O)cc1 5268775 BSSOJUNDUBEOFG-UHFFFAOYSA-N 366.392 3.687 0 40 FHAB C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1)c1nc2ccccc2c(=O)[nH]1 5666458 UFYCMFBHIHDZCB-JTQLQIEISA-N 362.307 3.860 0 40 FHAB Cc1cc(NC(=O)[C@H](C)Sc2nccn2-c2ccc(C)c(C)c2)no1 7064545 JXPXJFKXDNXWFE-AWEZNQCLSA-N 356.451 3.905 0 40 FHAB Cc1cc(C)c(NC(=O)CN2CCN(c3ccccc3C)CC2)c(C)c1 7620383 DUIRRAVNVDDYMQ-UHFFFAOYSA-N 351.494 3.681 0 40 FHAB Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(F)c2)o1 9573811 XCYOKAHAMGTTDN-UHFFFAOYSA-N 350.353 3.778 0 40 FHAB CCNc1nn(-c2ccc(OC)cc2)c2c1C(=O)C[C@@H](c1ccco1)C2 9936391 GQSPNIMLVHZKLH-ZDUSSCGKSA-N 351.406 3.818 0 40 FHAB COC(=O)c1cccc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1 10112243 YUXQDEQKOPDUHC-UHFFFAOYSA-N 374.245 3.722 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc[nH]c1=S 10307769 OWVJGYHRHDIXGL-UHFFFAOYSA-N 352.463 3.536 0 40 FHAB CCc1ccc(N2C[C@H](c3nc(-c4ccc(OC)cc4)no3)CC2=O)cc1 10336616 BFUOSCKHOBUFFS-MRXNPFEDSA-N 363.417 3.828 0 40 FHAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1 10532313 ABIHIFYLODDWHE-CQSZACIVSA-N 360.841 3.583 0 40 FHAB C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(S(C)(=O)=O)cc1 10967570 AASHBOUKPRMCQG-OAHLLOKOSA-N 367.470 3.663 0 40 FHAB COc1ccc(O[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 11647830 RBBBZAHUMVHRRD-NSHDSACASA-N 355.312 4.000 0 40 FHAB Cc1cccc(C)c1NC(=O)CCCn1nc(-c2ccccc2)ccc1=O 11693279 AXQPIGJQEAPROV-UHFFFAOYSA-N 361.445 3.946 0 40 FHAB CCOc1ncccc1CNC(=O)/C=C/c1ccc(Br)cc1 12546193 DTZQCMRTXRJVLQ-JXMROGBWSA-N 361.239 3.572 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1 12631522 XTDCMYDVMWKDDM-UHFFFAOYSA-N 370.430 3.950 0 40 FHAB O=C(CCNC(=O)c1cccs1)Nc1ccc(OC(F)F)c(Cl)c1 12905976 UYEWDHVUNUQYDK-UHFFFAOYSA-N 374.796 3.762 0 40 FHAB COc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)Nc2nc(N)nn21 13127570 XRXXLNJDHFEFHF-HUUCEWRRSA-N 355.829 3.669 0 40 FHAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3ccccc3OC(F)F)C2=O)cc1 14093412 FCGPXOYUDZOKES-LJQANCHMSA-N 360.360 3.564 0 40 FHAB COc1ccc(CC(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1 14161656 MYSBMIPZHLAKHO-AWEZNQCLSA-N 359.495 3.565 0 40 FHAB CC(C)n1ncc2c(C(=O)NCc3ccccc3F)cc(C3CC3)nc21 14246821 XAPDQHXTBUIQPF-UHFFFAOYSA-N 352.413 3.959 0 40 FHAB Cc1cccc(C)c1OCC(=O)N1CCN(C/C=C/c2ccccc2)CC1 14291990 IWHMDGJSPOMRER-KPKJPENVSA-N 364.489 3.540 0 40 FHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1nc(-n2cnnc2)ccc1Cl 15867195 LKSWSRBBQKYUEF-UHFFFAOYSA-N 367.718 3.587 0 40 FHAB Cc1cccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)c1 16100067 QIDPPLAJIZVVSG-UHFFFAOYSA-N 362.195 3.837 0 40 FHAB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)N3CCCC3)o2)cc1 16438070 LIJLGRIVGDIHOC-GHRIWEEISA-N 364.401 3.653 0 40 FHAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1cncn1-c1ccc(F)cc1 16699048 GCBWCUZQQNSQHP-UHFFFAOYSA-N 371.387 3.821 0 40 FHAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)CC)C1 19498444 ZAKKDKAGXLTVDW-HSZRJFAPSA-N 364.489 3.661 0 40 FHAB COc1ccc(CN2CCO[C@H](c3cc4ccccc4cn3)C2)cc1OC 19561129 SNNXESBSKGADHL-QFIPXVFZSA-N 364.445 3.826 0 40 FHAB Cc1noc2nc([C@@H]3CCCN(C(=O)[C@H]4C[C@@H]4C)C3)cc(C(F)(F)F)c12 19563775 RPBFQADZXMQREJ-WCQGTBRESA-N 367.371 3.912 0 40 FHAB CCc1nc2ccccc2n1CC(=O)NCCc1nc(C(C)(C)C)cs1 19662491 ZUYPVHCCZGYIHO-UHFFFAOYSA-N 370.522 3.712 0 40 FHAB Cc1nc(N2CCCC2)sc1C(=O)Nc1n[nH]c(CC2CCCCC2)n1 19663697 ILGHKMOOCURKFQ-UHFFFAOYSA-N 374.514 3.545 0 40 FHAB COC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 20037683 AUHSZDQJJDKBSU-MRXNPFEDSA-N 366.461 3.957 0 40 FHAB COc1ccc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)cc1Cl 20725692 HXZBEUOYQWWDLT-HNAYVOBHSA-N 372.852 3.897 0 40 FHAB CSc1ccc(CN(C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 21923108 WCBPNJOENNUZRI-UHFFFAOYSA-N 359.882 3.930 0 40 FHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2CCN(c3ccccc3F)CC2)c1 22532524 XGXZBNUTHFXVRZ-GOSISDBHSA-N 370.468 3.867 0 40 FHAB CN(Cc1cnn(C)c1)C(=O)c1cc(-c2ccccc2)nc2ccccc12 25045596 DBWKYVMILWBWSJ-UHFFFAOYSA-N 356.429 3.908 0 40 FHAB C[C@@H](NC(=O)C1(c2cccc(F)c2)CCC1)c1ccc(-n2cncn2)cc1 26065663 AQJZSGRRQUMYFP-OAHLLOKOSA-N 364.424 3.706 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc(F)cc2)cc1 26311027 WYQRHSOESXESQB-OAHLLOKOSA-N 364.486 3.707 0 40 FHAB C[C@H](C(=O)Nc1cccc(Oc2cnccn2)c1)n1cnc2ccccc21 30693882 WJTLZEYDLRYMHD-CQSZACIVSA-N 359.389 3.818 0 40 FHAB COC(=O)c1c(C)[nH]c(-c2ccccc2F)c1[C@H]1C(=O)Nc2ccccc21 32090124 MJTMUIHXFMMUIG-KRWDZBQOSA-N 364.376 4.000 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)Cc3cccc(C(F)(F)F)c3)ccc21 32722080 RUXHMPXLJGGWFH-UHFFFAOYSA-N 362.351 3.796 0 40 FHAB C[C@@H](O)CNCc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 32739821 CEWPYKVGVHOPST-OAHLLOKOSA-N 355.869 3.722 0 40 FHAB O=C(Nc1cccc2cccnc12)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 32795903 CKDUSCATHXVOGM-SFHVURJKSA-N 371.440 3.715 0 40 FHAB CCN(CC)[C@@H](CNC(=O)c1oc2c(c1C)C(=O)CCC2)c1ccccc1 32921968 MZDIGOCTLZGFPY-KRWDZBQOSA-N 368.477 3.920 0 40 FHAB CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](c2ccccc2)C2CC2)c1 36638322 YSNXJLJLIOSTRS-KRWDZBQOSA-N 363.866 3.625 0 40 FHAB C[C@@H](C(=O)c1c[nH]c2ccccc12)n1nnc(-c2ccc(Cl)cc2)n1 36885323 RZBZIFQLXKRBPC-NSHDSACASA-N 351.797 3.919 0 40 FHAB O=C(CCCNC(=O)c1ccco1)N[C@@H](c1ccc(F)cc1)C1CCCC1 40117434 DBQAETUZUILAMC-HXUWFJFHSA-N 372.440 3.976 0 40 FHAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)N[C@@H](C)CCCC(C)C)cc1 40160522 HZBMMUMXSOWCCF-RRWNYDGOSA-N 360.498 3.544 0 40 FHAB COC(=O)c1cccc(NC(=O)CCCOc2ccc(OC)cc2)c1C 42645602 CIXMLSKMGYTUBD-UHFFFAOYSA-N 357.406 3.588 0 40 FHAB CC[C@@H](NC(=O)c1cccc(CN2CCOCC2)c1)c1ccc(C)cc1 44848571 COYONOSKJFBVPG-OAQYLSRUSA-N 352.478 3.708 0 40 FHAB O=C(NC1CCN(C(=O)C2CCCCC2)CC1)[C@H]1CCCc2ccccc21 46862926 LYBUZMZYAHJDAV-NRFANRHFSA-N 368.521 3.794 0 40 FHAB C[C@]1(c2cccs2)NC(=O)N(Cc2csc(Br)c2)C1=O 47354556 KVZDSFDLXXOVIF-CYBMUJFWSA-N 371.281 3.539 0 40 FHAB CCOCCO[C@@H](C)C(=O)Nc1cccc(COc2cccc(F)c2)c1 48234219 BPEMWQRMZQQXQJ-HNNXBMFYSA-N 361.413 3.785 0 40 FHAB CCOCCOCc1cccc(CNC(=O)c2c(O)cccc2Cl)c1 48313345 HHWJEWGCTARVDE-UHFFFAOYSA-N 363.841 3.529 0 40 FHAB O=C1O[C@@H](C(=O)N2CCSc3ccc(Cl)cc32)Cc2ccccc21 48356644 FZHPHDOJNNHFIR-OAHLLOKOSA-N 359.834 3.560 0 40 FHAB Cc1ccc(S(=O)(=O)/N=C(\O)Cc2ccc(Br)cc2)s1 48515285 ADPCCWFDQMNCBB-UHFFFAOYSA-N 374.281 3.707 0 40 FHAB Cc1nnc([C@H](C)S(=O)(=O)Cc2c(C)cc(C(C)(C)C)cc2C)o1 50037998 PHEZGLVGTCLGAK-ZDUSSCGKSA-N 350.484 3.968 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@H]1CCCOc2ccc(F)cc21 54283018 PXZPOAUWDLLQGM-KRWDZBQOSA-N 366.392 3.828 0 40 FHAB COc1ccc(CN(C)Cc2c(C)noc2C)c(Br)c1OC 58168669 MIMGGNORHSFABJ-UHFFFAOYSA-N 369.259 3.703 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)NC[C@H](O)c1ccccc1C(F)(F)F 58222841 ZFEORFKQEYRMJL-KRWDZBQOSA-N 362.351 3.579 0 40 FHAB CCCn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 62581610 BCQDRPNJAMYVIE-UHFFFAOYSA-N 371.481 3.744 0 40 FHAB O=C(NCc1cccc(Cl)c1)c1ncoc1-c1ccc2c(c1)OCCO2 66088469 CDZTZFYHPSLHLB-UHFFFAOYSA-N 370.792 3.696 0 40 FHAB Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(C(=O)O)cs1 78949504 RXFXZVQAOWVDKA-UHFFFAOYSA-N 365.354 3.574 0 40 FHAB CSc1nc(O)nc(C)c1C(=O)NCC(C)(C)c1ccc(Cl)cc1 81598582 DAIFMDDSGUUDEE-UHFFFAOYSA-N 365.886 3.574 0 40 FHAB Cn1cc(Nc2cccc(C(=O)NCCCn3ccc4ccccc43)c2)cn1 84318703 RMWZWQMTMTVMOF-UHFFFAOYSA-N 373.460 3.939 0 40 FHAB O=C(c1ccc(Cl)s1)N1CCN(C2CC2)C[C@H]1Cc1ccccc1 85472692 RSGLJGXSEIBDHI-MRXNPFEDSA-N 360.910 3.933 0 40 FHAB COc1ccc2c(c1)OC[C@H](C(=O)NCCc1cccc3ccccc13)C2 89467003 IYXYXOVYIVXRCW-LJQANCHMSA-N 361.441 3.758 0 40 FHAB Cc1csc(N2CCC(N[C@H](CC(C)C)C(=O)OC(C)(C)C)CC2)n1 95940751 DVPKVMKHRATQDQ-MRXNPFEDSA-N 367.559 3.766 0 40 FHAB COC(=O)N1CCc2ccc(NC(=O)CCSc3ccccc3)cc2C1 96096266 VPPXOSKARFDAKO-UHFFFAOYSA-N 370.474 3.932 0 40 FHAB CC(C)(C)n1nccc1NC(=O)C1CCN(c2ccc(Cl)cn2)CC1 98105877 YRFWDKRZQNWYIX-UHFFFAOYSA-N 361.877 3.542 0 40 FHAB CCOc1ccc(NC(=S)NC2C[C@H]3CCC[C@H](C2)N3C2CC2)cc1 100424024 IRSUDVIWFFIYRK-QZTJIDSGSA-N 359.539 3.920 0 40 FHAB O=C(Oc1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1)c1cccs1 102089004 PPBITTWOOXDFPH-GASCZTMLSA-N 355.415 3.647 0 40 FHAB CCc1nnsc1C(=O)N1C[C@H](c2ccccc2Cl)OCC1(C)C 110512777 OJQBJARKOBXRNR-CQSZACIVSA-N 365.886 3.746 0 40 FHAB Cc1ccccc1N(CCCC(=O)Nc1cccc(C)c1C)S(C)(=O)=O 113966522 WXLYYZHJCSMOSY-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB CC[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc(OC)c(OC)c1 222654527 OPAFGUQBKMXYBD-MRXNPFEDSA-N 371.433 3.633 0 40 FHAB Cc1ccc(OCC(=O)NCc2nc(-c3ccccc3Cl)no2)c(C)c1 222830562 MOIXODHHFGMZCW-UHFFFAOYSA-N 371.824 3.702 0 40 FHAB COc1cc2c(cc1S(=O)(=O)NCCCc1cccc(C)c1)CCCC2 223211869 KROUHQZIXNAJMO-UHFFFAOYSA-N 373.518 3.794 0 40 FHAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)n1C 223851055 VLXSYWIGVXDCJK-RBUKOAKNSA-N 364.474 3.611 0 40 FHAB COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COC(C)C 224427098 FJPWYXBCAUPCIP-UHFFFAOYSA-N 359.422 3.890 0 40 FHAB Cn1cc([C@@H](O)CNC(=O)c2cc3ccccc3s2)c2ccccc21 225621164 BALXZJGNDUVDRC-KRWDZBQOSA-N 350.443 3.856 0 40 FHAB C[C@H](NC(=O)Cn1ccc(=O)c2ccc(Cl)cc21)c1ccc(F)cc1 225737395 MWGQTTBQFKNQGA-LBPRGKRZSA-N 358.800 3.671 0 40 FHAB Cc1ccccc1-c1nc2sc(=Cc3cccc4ccccc34)c(=O)n2n1 254446453 KYKAFXUKEZCOTN-UHFFFAOYSA-N 369.449 3.827 0 40 FHAB Cc1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)no1 257253677 JZUVWWQDHJVLFO-OAHLLOKOSA-N 369.396 3.721 0 40 FHAB Cc1cccnc1Nc1nccnc1C1CCN(Cc2cscn2)CC1 257279763 OIBNSZHAWZQSIW-UHFFFAOYSA-N 366.494 3.760 0 40 FHAB CN1CCC(N2CCC(C)(c3ncc(Cc4cccc(F)c4)o3)CC2)CC1 257288726 PVIISNCRJLTDMH-UHFFFAOYSA-N 371.500 3.852 0 40 FHAB COC(=O)c1ccc(-c2ccc(/C=C3\SC(=O)N(C)C3=O)o2)c(C)c1 408818159 ZMAFFQKXUVVQSG-DHDCSXOGSA-N 357.387 3.708 0 40 FHAB CC(C)c1ccccc1NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 409130160 LWXLTKGJJMHWIM-OAHLLOKOSA-N 360.479 3.603 0 40 FHAB Cc1nc(C(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)nn2C)c(C)o1 508895398 PDVJEHMACZHHLM-UHFFFAOYSA-N 364.327 3.963 0 40 FHAB C[C@H](C(=O)N[C@H]1CCc2cc(Cl)ccc21)N1CCc2ccccc2C1 521915602 BZSJNSFZJYSRDG-VLIAUNLRSA-N 354.881 3.890 0 40 FHAB O=C(NCc1ccc(-c2ccoc2)o1)C1(c2ccccc2)CCOCC1 585147911 HLEFPDFVKUUUSZ-UHFFFAOYSA-N 351.402 3.904 0 40 FHAB CCSC1(CNC(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 600112621 SNOIFWAASWOUSY-DOMZBBRYSA-N 357.878 3.959 0 40 FHAB CC(=O)Nc1ccc(NC(=O)CCCc2nc(C3CC3)no2)cc1Cl 606830974 UANVUFIBWMMGOE-UHFFFAOYSA-N 362.817 3.520 0 40 FHAB O=C(CCn1ccnc1)N1CCCCCCCc2ccccc2OCC1 643585013 XSJFKYOIQIOXED-UHFFFAOYSA-N 355.482 3.687 0 40 FHAB COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc3c(c1)CCC(=O)N3)[C@H]2C 679830366 IITGMGJNALXPEV-KGLIPLIRSA-N 364.445 3.728 0 40 FHAB CC(C)CN(C(=O)NCCN(Cc1ccccc1)c1ccccn1)C1CC1 1255023237 GPQUTGGYJXMKCI-UHFFFAOYSA-N 366.509 3.918 0 40 FHAB CC1(C)C[C@@]2(CCCN2C(=O)c2ncccc2O)CN1c1cccc(F)c1 1615117332 BETISLCORISMSJ-NRFANRHFSA-N 369.440 3.590 0 40 FHAB CCn1cc(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)cn1 1615159088 SSQMAQBNPVGVAY-OAQYLSRUSA-N 370.472 3.706 0 40 FHAB CN(C(=O)c1cc2c(Cl)cncc2s1)[C@H](CO)Cc1ccccc1 1615610769 MYJKWLXJAYNIMV-ZDUSSCGKSA-N 360.866 3.625 0 40 FHAB CC(=O)Nc1ccc(CN2CCC[C@H](COc3ccnc(C)c3)C2)cc1 1776008644 LSECXZVGKJADGD-IBGZPJMESA-N 353.466 3.639 0 40 FHAB CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccs2)NC(=O)N1C 1082727 KOVPEHCSQJANSI-QGZVFWFLSA-N 356.447 3.504 0 40 FHAB CCOc1ccc(/C=C2\N=C(c3ccc(OC)cc3)OC2=O)cc1OCC 1073153 YNPOHKISBIADLT-ATVHPVEESA-N 367.401 3.837 0 40 FHAB CCOc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc(C)cc4)C3)n2)cc1 12416173 WRKYDSWVLAUPDP-MRXNPFEDSA-N 363.417 3.964 0 40 FHAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(C)cc3C)CC2=O)cc1 806769 NCLITRWNMIOUPD-INIZCTEOSA-N 352.434 3.694 0 40 FHAB Cc1cc2cc3c(cc2nc1SCC(=O)N1CCCC[C@@H]1C)OCCO3 928326 JDCRXPRDVOHLEQ-AWEZNQCLSA-N 372.490 3.808 0 40 FHAB Cc1ccn2c(-c3nnc(SCC(=O)c4ccccc4)o3)c(C)nc2c1 1016655 ARBAHKPLSULQSO-UHFFFAOYSA-N 364.430 3.976 0 40 FHAB C[C@@H](CC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1)c1ccccc1 24774996 QROVQZRKFPBEFT-INIZCTEOSA-N 366.461 3.763 0 40 FHAB COc1cc(/C=C/C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc(OC)c1 24756958 JBSDKVBYUUROKI-PZBABLGHSA-N 358.463 3.937 0 40 FHAB CC(C)(C)NC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)C(C)(C)O2 4965743 VXZKVJXYGQNYLR-UHFFFAOYSA-N 366.461 3.919 0 40 FHAB COc1ccccc1-c1nnc(SCCOc2ccc(F)cc2)n1C 6087446 UZVCEZWKSNJXQD-UHFFFAOYSA-N 359.426 3.801 0 40 FHAB CC(=O)Nc1ccc2nc(NC(=O)c3ccccc3Br)oc2c1 6305094 YFNRTKFYMOBICK-UHFFFAOYSA-N 374.194 3.801 0 40 FHAB Cc1cc(C)cc(C(=O)Nc2ncc(I)cc2C)c1 6572210 QVCVHRBQPLLIKX-UHFFFAOYSA-N 366.202 3.864 0 40 FHAB Nc1c(Cl)cc(Cl)cc1C(=O)OCc1nnc(-c2ccccc2)o1 7004934 KYOIKMIJHGWAQN-UHFFFAOYSA-N 364.188 3.983 0 40 FHAB COc1ccc(NC(=O)COc2ccc(Cl)c3cccnc23)cc1OC 7612396 NIKZSBACKWVEAQ-UHFFFAOYSA-N 372.808 3.923 0 40 FHAB COc1cccc(NC(=O)CN(C)C(=O)c2cc3c(s2)CC[C@@H](C)C3)c1 8031290 MGCVZTKFOZOYGO-CYBMUJFWSA-N 372.490 3.592 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1C 8040653 HTVUVRAWPQLELI-KRWDZBQOSA-N 366.461 3.945 0 40 FHAB O=C(COc1ccc(Cl)cc1)N[C@@H](Cc1ncc[nH]1)c1ccccc1 12531630 SUWDUKBWGYVCSP-KRWDZBQOSA-N 355.825 3.542 0 40 FHAB COC(=O)c1ccc2c(c1)[C@@H]1C[C@@](C)(O2)N(c2ccc(F)cc2F)C(=O)N1 101085163 IOKWDTUDCFPOIM-IFXJQAMLSA-N 374.343 3.521 0 40 FHAB CCCO[C@@H]1CCCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 108351197 SWYRASPCDDUGRO-MRXNPFEDSA-N 361.873 3.671 0 40 FHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(C)cc2C)cc1OC 1993324 UIZCFRISVVBGPV-JXMROGBWSA-N 369.417 3.516 0 40 FHAB CCOc1ncccc1C(=O)OCC(=O)Nc1ccccc1[C@@H](C)CC 3251033 HMQJHLFQKKRFLB-AWEZNQCLSA-N 356.422 3.789 0 40 FHAB CC(C)c1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccc2c(c1)OCO2 27543340 SSWHAYXRCZOWSU-OAHLLOKOSA-N 354.450 3.998 0 40 FHAB COc1ccc(Cc2nnc3sc(-c4cccc(C)c4)nn23)cc1OC 10311744 AVENWRQTHYHNNR-UHFFFAOYSA-N 366.446 3.769 0 40 FHAB COC(=O)c1ccc(NC(=O)c2cc3ccc(OC)cc3nc2C)cc1 10406114 RSGIVGDLZXUPFJ-UHFFFAOYSA-N 350.374 3.591 0 40 FHAB COc1ccc(Cn2cnc3c([nH]c4ccc(Cl)cc43)c2=O)cc1OC 2219179 OBSPAJVVBUQPTI-UHFFFAOYSA-N 369.808 3.597 0 40 FHAB CCCN(CC1CC1)Cn1c(=S)oc2ccc(S(=O)(=O)CC)cc21 3254759 DHCKIBYHQKFRTA-UHFFFAOYSA-N 368.524 3.837 0 40 FHAB CCOc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1C[C@@H]1CCCO1 52806450 OSPPSHSARYAVOF-MGPUTAFESA-N 352.434 3.831 0 40 FHAB C[C@@H](NC(=S)NCCc1ccccc1)[C@H](c1cccs1)N1CCCC1 3211449 NRQMKRQAOPNFFE-VQIMIIECSA-N 373.591 3.980 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)c2cn3ccc(C)cc3n2)c(OC)c1 11584279 PYFWNCKDFOKNNV-GOSISDBHSA-N 365.433 3.637 0 40 FHAB CCn1c(SCC(=O)c2cc(C)n(C)c2C)nnc1-c1cccs1 2620365 DMRWLXYOXDREAR-UHFFFAOYSA-N 360.508 3.957 0 40 FHAB O=S(=O)(Nc1cnn(Cc2ccc(F)cc2)c1)c1ccc(Cl)cc1 2761357 UDJKPLOQQAFNGI-UHFFFAOYSA-N 365.817 3.525 0 40 FHAB O=C(O)c1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1Cl 47318178 KEWNTZZFULXJSG-UHFFFAOYSA-N 361.806 3.992 0 40 FHAB CCc1nnc(NC(=O)CCc2c(C)nc3c(cnn3C(C)C)c2C)s1 12686203 AKSOZVRQKYYMKI-UHFFFAOYSA-N 372.498 3.614 0 40 FHAB O=c1oc(-c2ccc(F)cc2)nn1CCOc1ccc2ccccc2c1 48262692 BTVOSDJAZPNZPG-UHFFFAOYSA-N 350.349 3.875 0 40 FHAB COc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1 12984653 BLWAUKSJJGAZLK-UHFFFAOYSA-N 369.845 3.841 0 40 FHAB Cc1sc2ncnc(N3CCC[C@@H](c4nnc5ccccn45)C3)c2c1C 12903423 UMRKSVGOAXFNBM-CQSZACIVSA-N 364.478 3.735 0 40 FHAB Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)cnn1-c1ccc(Cl)cc1 12929338 MAVRFAAXKMHUFN-UHFFFAOYSA-N 369.808 3.858 0 40 FHAB COc1ccc([C@@H]2[C@@H](C(=O)O)CCC(=O)N2c2ccc(C)cc2)cc1OC 3888151 KZRIPBOEXHKWGY-OXJNMPFZSA-N 369.417 3.581 0 40 FHAB CC[C@H](NC(=O)CCc1ccc(OC)c(OC)c1)c1ccc(OC)cc1 20482019 RRRCEWMLBDCGNV-SFHVURJKSA-N 357.450 3.913 0 40 FHAB CS(=O)(=O)Nc1ccccc1NC(=O)c1cc(Cl)ccc1Cl 24881732 HFCOURIKKIKZAK-UHFFFAOYSA-N 359.234 3.617 0 40 FHAB COc1cc(OC)cc(-c2nc(-c3cc4cccc(C)c4[nH]c3=O)no2)c1 13482149 CXXRBEHJHGXWQS-UHFFFAOYSA-N 363.373 3.571 0 40 FHAB O=C(NC(=S)Nc1ccc(CN2CCCCC2)cc1)c1cccc(F)c1 4122653 VNWZAKDHUBQGKM-UHFFFAOYSA-N 371.481 3.938 0 40 FHAB CCC(CC)NC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 9336112 WOYLZNOGQIKNOD-ZDUSSCGKSA-N 360.401 3.813 0 40 FHAB COc1ccc(N2C(=O)C[C@@H]([C@H]3CCCC=C3N3CCCCC3)C2=O)cc1 5015875 FCHGOTAXHIXVHB-MOPGFXCFSA-N 368.477 3.745 0 40 FHAB CCc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3OC)CC2=O)cc1 4385172 XLQVPHDJDFJTPE-CQSZACIVSA-N 372.852 3.903 0 40 FHAB O=C(NCc1nccs1)c1ccccc1-c1ccc(Cn2cccn2)cc1 65488022 DONRODIJHHPLOG-UHFFFAOYSA-N 374.469 3.985 0 40 FHAB COc1cc(C)c(NC(=O)CSc2ccc(NC(C)=O)cc2)cc1OC 14113597 IFDUWIPCQIRDEQ-UHFFFAOYSA-N 374.462 3.701 0 40 FHAB O=C(CSc1nnc(Cc2ccccc2)o1)Nc1c(F)cccc1F 6544146 ZSNJDTGXIFEZDQ-UHFFFAOYSA-N 361.373 3.669 0 40 FHAB C[C@H]1CN(c2ccccc2NC(=O)c2c(O)cc(F)cc2F)C[C@H](C)O1 66047877 SXYLSPPRHSTDFS-RYUDHWBXSA-N 362.376 3.536 0 40 FHAB COC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 4687328 IHVUPUWUIPADQT-UHFFFAOYSA-N 356.447 3.723 0 40 FHAB COc1ccc([C@@H]2[C@H](CN3CCCCC3)C(=O)N2c2ccccc2)cc1 5527081 YOZCZMWRFAHLNU-LEWJYISDSA-N 350.462 3.885 0 40 FHAB COc1ccccc1NC(=O)COC(=O)c1cc2c(s1)CC[C@@H](C)C2 5773689 AWZKPLDUOVEOCZ-GFCCVEGCSA-N 359.447 3.677 0 40 FHAB COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2C)o1 4927749 WUYBEHBGEDTEFY-UHFFFAOYSA-N 355.419 3.784 0 40 FHAB COc1cccc([C@H](CNCc2ccc(OC)c(F)c2)N2CCCC2)c1 71810637 KFOWYOIFKMLISG-FQEVSTJZSA-N 358.457 3.770 0 40 FHAB CCOc1cc2c(cc1CNC(=O)c1ccc(C)c(OC)c1)O[C@@H](C)C2 7116958 XLJAIXAQZORPSW-AWEZNQCLSA-N 355.434 3.656 0 40 FHAB CCNC(=O)C1(NC(=O)c2cc3c(s2)CCCCCC3)CCCCC1 95350734 XYWOTQMYSXSABN-UHFFFAOYSA-N 362.539 3.976 0 40 FHAB Cc1cc(C(=O)NCc2ccc(N3CCCC3=O)cc2)c(C)n1C(C)C 7491329 DAVMKGKPTJROMI-UHFFFAOYSA-N 353.466 3.743 0 40 FHAB CC(C)n1nccc1NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 7481546 UQYGEAHQMRSWBV-UHFFFAOYSA-N 363.417 3.927 0 40 FHAB Cc1ccc([C@H](CNC(=O)c2ccc(Br)o2)N2CCCC2)o1 15860264 SNHIRPQOZBUXFZ-LBPRGKRZSA-N 367.243 3.510 0 40 FHAB O=C(CSc1nnc(NC2CC2)s1)N1CC=C(c2ccccc2)CC1 7535437 AOWSSUOEBQLHDE-UHFFFAOYSA-N 372.519 3.520 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)Sc2nc(C3CC3)n(-c3ccccc3)n2)no1 7538367 AKTSEOFONXPHID-GFCCVEGCSA-N 369.450 3.560 0 40 FHAB O=C(NCc1ccc2c(c1)OCO2)c1cccc(OCc2ccccc2)c1 7668573 UEZLKDPZJQBHTF-UHFFFAOYSA-N 361.397 3.924 0 40 FHAB C[C@@H](Sc1nnc(C(F)(F)F)n1C)c1nnc(-c2ccccc2)o1 7834698 VFJUWQVLBYPGPU-MRVPVSSYSA-N 355.345 3.737 0 40 FHAB C[C@@H](Nc1cnn(-c2ccccc2)c(=O)c1Cl)c1ccc2c(c1)CCO2 84651772 WXEWUPQGZYPMNI-CYBMUJFWSA-N 367.836 3.994 0 40 FHAB C[C@@H](CNC(=O)CCn1c(=O)oc2cc(Cl)ccc21)c1ccccc1 8304011 XWCXYLFRTXRBRY-ZDUSSCGKSA-N 358.825 3.558 0 40 FHAB Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cnc3c(c2)c(C)nn3C)o1 72303810 ASWFKKJIQVUPJF-YVEFUNNKSA-N 352.438 3.792 0 40 FHAB O=C(/C=C/c1ccc(-c2ccccc2F)s1)/N=c1\[nH]nc2ccccn12 95949157 VULWQVJKHCUIPG-PKNBQFBNSA-N 364.405 3.671 0 40 FHAB CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2C)cc1 95952868 LNAYYQIDUHGDFR-SFHVURJKSA-N 370.474 3.548 0 40 FHAB C[C@H](Cc1ccccc1Cl)C(=O)N1CCN([C@H](C)c2ccccn2)CC1 95943195 RDEZBZSFHJSBHJ-IAGOWNOFSA-N 371.912 3.819 0 40 FHAB CC[C@H](CC(F)(F)F)NS(=O)(=O)c1cc(Cl)c2c(c1)C[C@H](C)O2 546177396 NUOMUAFTSQIIAC-WCBMZHEXSA-N 371.808 3.673 0 40 FHAB CCCCC(=O)Nc1sc2c(c1C(=O)NCCCOC)CCCC2 27740771 VSRVDYHEBIYDIR-UHFFFAOYSA-N 352.500 3.522 0 40 FHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(OC)c(OC)c1 21307582 WVHQUXYNYBBOKG-MRXNPFEDSA-N 363.841 3.831 0 40 FHAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccco3)C2=O)cc1 409176408 MPZJRPYTNWQGEO-XNTDXEJSSA-N 356.403 3.517 0 40 FHAB C[C@H](OCCCNC(=O)c1ccc(Br)o1)c1ccccc1 32907550 ADVLMHYQGQUTDZ-LBPRGKRZSA-N 352.228 3.940 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1F 32585949 AIDMZEDFUJTUTQ-UHFFFAOYSA-N 365.304 3.534 0 40 FHAB Cc1ccccc1CSCCNC(=O)c1ccc(Cn2ccnc2)cc1 38853066 NUHFCNWDIJEGCZ-UHFFFAOYSA-N 365.502 3.903 0 40 FHAB CCOc1ccc(CNC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 219862286 ANAUFWNCASDZSD-UHFFFAOYSA-N 352.478 3.927 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 218974507 BMCIWHJQOGMLRJ-ZDUSSCGKSA-N 371.824 3.782 0 40 FHAB CCc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)CC)cc2)cc1 225875299 SGDJXTGMPBYWSW-OAHLLOKOSA-N 374.506 3.526 0 40 FHAB CCCO[C@](C)(CCC)C(=O)Nc1cnc(OCCOCC)c(C)c1 225906107 KUMZHIBKZKNUAN-LJQANCHMSA-N 352.475 3.729 0 40 FHAB Cc1ccc(C)c(O[C@H](C)C(=O)NCc2ccccc2CN2CCCC2)c1 224783025 DSHCLCDGQRDLOO-LJQANCHMSA-N 366.505 3.983 0 40 FHAB FC(F)(F)c1ccnc(N2CC[C@H](c3nnc(-c4ccccc4)o3)C2)n1 49171286 DGRAIIIVJNRWCQ-LBPRGKRZSA-N 361.327 3.539 0 40 FHAB biogenic,in-vitro Cc1cccc(NC(=S)N2CCN(C3Cc4ccccc4C3)CC2)c1C 225210994 ABDGTNMAHBYYKZ-UHFFFAOYSA-N 365.546 3.785 0 40 FHAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](CC)C(=O)NC1CCCC1 224364777 XJKRNZHSQYKCPZ-QGZVFWFLSA-N 350.890 3.916 0 40 FHAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1C 225102182 SHWRQHASJDSMTN-OAQYLSRUSA-N 366.505 3.871 0 40 FHAB COc1ccc(-c2noc(CNC(=O)c3ccc4c(c3)CCCC4)n2)cc1 225635281 VLWXLRJIDIZHEH-UHFFFAOYSA-N 363.417 3.554 0 40 FHAB COc1ccc(N[C@H]2CO[C@]3(CCN(Cc4ccc(F)cc4)C3)C2)cc1 96047624 VODNQTIRZLLDHJ-TZIWHRDSSA-N 356.441 3.680 0 40 FHAB Cn1c(=O)cc(C(=O)N[C@@H]2CCCc3c2[nH]c2ccccc32)c2ccccc21 96231561 NTDFODQYKQSXEV-LJQANCHMSA-N 371.440 3.827 0 40 FHAB COCCn1ccc2c(NC(=O)c3csc(NC4CC4)n3)cccc21 95474880 YUXOXUXRZOWRMU-UHFFFAOYSA-N 356.451 3.571 0 40 FHAB CCOC[C@@H]1CCC2(CCN(C(=O)c3cc4ccccc4o3)CC2)N1C 96207371 SPXFAZONNNJCLV-KRWDZBQOSA-N 356.466 3.538 0 40 FHAB Fc1cccc(CN(Cc2ccnn2[C@H]2CCCCO2)C[C@H]2CCCO2)c1 247553050 WKFDTFIGJCVQGL-NHCUHLMSSA-N 373.472 3.903 0 40 FHAB CC(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3ccc(C)s3)C[C@H]12 248080595 ITLKYKOGCOJECH-LEWJYISDSA-N 354.519 3.821 0 40 FHAB Cc1ccc(-n2nc(C(=O)O)c(N3CC[C@@H](c4ccccc4)C3)n2)c(C)c1 256047999 PYVFNPOWVVKXQX-QGZVFWFLSA-N 362.433 3.576 0 40 FHAB O=C(c1ccccc1)N1CCC(c2ccnc(Nc3ccccn3)n2)CC1 257331963 XVCHYBMOLGQMRZ-UHFFFAOYSA-N 359.433 3.635 0 40 FHAB Cc1cn(C)c([C@@H]2CCCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C2)n1 257325022 WRCQOCFCAVFCAX-QGZVFWFLSA-N 350.466 3.846 0 40 FHAB CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)c1ccnc2c1CC(=O)N2 615373946 JYCZCQRMDXJVMZ-HXUWFJFHSA-N 371.868 3.617 0 40 FHAB Clc1cccc([C@H]2CN(c3nc(C4CCOCC4)ns3)CCO2)c1 663806153 FUEQNSPFTNJZOJ-OAHLLOKOSA-N 365.886 3.663 0 40 FHAB O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 96119062 JQWTZYJLEMUXGR-AWEZNQCLSA-N 371.437 3.886 0 40 FHAB COC[C@@H]1CN(Cc2ccsc2)CC12CCN(Cc1ccco1)CC2 585102659 AFPONOAHLPMYTC-SFHVURJKSA-N 360.523 3.702 0 40 FHAB OCc1cc(-c2ccccc2)nc2ccc(I)cc12 685937121 LDGMRIUJNMKVJO-UHFFFAOYSA-N 361.182 3.999 0 40 FHAB CC[C@@H](C)n1nccc1NC(=O)N(CCO)[C@H]1CCCc2ccccc21 95446396 HFGOFQZHKKUWTD-QAPCUYQASA-N 356.470 3.758 0 40 FHAB COc1ccc(-c2c(C)oc3c(-n4nc(C)nc4C)c(C)nn23)c(C)c1 117538522 MEICIUGVENCLKP-UHFFFAOYSA-N 351.410 3.726 0 40 FHAB COc1ccc(CCC(=O)N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)cc1 1775975380 FVHHFKKOOBILDL-IRXDYDNUSA-N 373.884 3.872 0 40 FHAB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccco3)[C@@H]2C1=O 5478484 GDRZUJHCHDPAKO-ZCNNSNEGSA-N 374.396 3.639 0 40 FHAB O=C1/C(=C/c2ccccc2O)NC(=S)N1c1ccccc1C(F)(F)F 15253439 HQCSTIQTAXJMIH-XFXZXTDPSA-N 364.348 3.673 0 40 FHAB COc1cc2cc(N)c([C@@H]3CCCN(C(=O)C(C)(C)C)C3)nc2cc1OC 19081179 JRQUAGKEGAJJCK-CYBMUJFWSA-N 371.481 3.586 0 40 FHAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)C3CC3)cc2N1 19451244 YPVHPMMCUFVVCG-AEGPPILISA-N 370.419 3.900 0 40 FHAB CN(C(=O)CSc1nc(-c2ccccc2Cl)n[nH]1)c1ccccc1 19928235 NRQZCPAPCXFEOS-UHFFFAOYSA-N 358.854 3.880 0 40 FHAB NC(=O)c1ccc(NC(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)cn1 163787240 YBBFSFNZBYDVJC-QGZVFWFLSA-N 372.856 3.983 0 40 FHAB CC(=O)Oc1c(C)cc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1C 8179704 LLGVACQXVKNODV-YVLHZVERSA-N 353.349 3.712 0 40 FHAB CCn1c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc2ccccc21 1370932 FZTACSBFIXEFJW-UHFFFAOYSA-N 368.868 3.672 0 40 FHAB O=C(c1ccc(O)nn1)N1CCC(c2ccc(Cl)cc2Cl)CC1 569636553 LWCCGKHXUDTEDN-UHFFFAOYSA-N 352.221 3.509 0 40 FHAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Br)cc2)c1 1889141331 REDIMYKKJITXQJ-SJPCQFCGSA-N 374.282 3.962 0 40 FHAB CN(C)[C@@H](CNC(=O)c1cccc(Br)c1)c1cccs1 23105563 WDKVGOSMMKLZFP-ZDUSSCGKSA-N 353.285 3.543 0 40 FHAB CC[C@@H](C)Sc1nnc(NC(=O)Cc2ccc(OC)c(OC)c2)s1 4088010 YSBIMRSLQAMWMC-SNVBAGLBSA-N 367.496 3.627 0 40 FHAB Cc1ccc(CSc2nc(=O)n(Cc3ccncc3)c3c2CCC3)cc1 5264354 SSQVBQVFVGQFNJ-UHFFFAOYSA-N 363.486 3.776 0 40 FHAB CCC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(CC)cc3)ccc21 8768712 YJHCNAGOLUELDQ-UHFFFAOYSA-N 372.490 3.739 0 40 FHAB Cc1cc(C)c(NC(=O)COc2ccc(-c3nnc(C)o3)cc2)c(C)c1 12443739 YIZVMINECARDOS-UHFFFAOYSA-N 351.406 3.988 0 40 FHAB COc1ccc(S(=O)(=O)NCC2(c3cccs3)CCCC2)c(C)c1 13804556 RRMPOVOKPVQWBO-UHFFFAOYSA-N 365.520 3.855 0 40 FHAB CCOc1ccc(Nc2nn3c(=O)c4cc(C)ccc4nc3s2)cc1 16839953 LLNUIWZOXNQLPN-UHFFFAOYSA-N 352.419 3.755 0 40 FHAB O=C(Nc1ccccn1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 40079963 JWBJSHRPDDFXFQ-AWEZNQCLSA-N 364.232 3.632 0 40 FHAB c1cnc2nc(N3CCC[C@@H](c4nc5c(s4)CCCC5)C3)ccc2n1 152316442 IDNFLLDSKLHWIB-CYBMUJFWSA-N 351.479 3.744 0 40 FHAB C[C@H]1CN(c2ccc(NC(=O)c3cc4cc(F)ccc4[nH]3)cn2)C[C@H](C)O1 40154862 XBDOALDFTBSDHC-STQMWFEESA-N 368.412 3.568 0 40 FHAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccccc4)cc3)C(=O)[C@@H]2C1 100305745 QHQUZFGBAVHGEG-RBUKOAKNSA-N 360.413 3.785 0 40 FHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)COc1ccc3c(c1)CCC(=O)N3)C2 102181333 SEKAONPYPKSAJV-OXTHUFEASA-N 357.450 3.708 0 40 FHAB O=C(NCc1cccnc1-n1ccnc1)c1ccc(Oc2ccccc2)cc1 32777590 WMQPHCLYOJWTQY-UHFFFAOYSA-N 370.412 3.990 0 40 FHAB O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NCc1cccnc1 53274466 PIZHQMNRKHJREA-UHFFFAOYSA-N 373.865 3.629 0 40 FHAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)C1 32998036 HCWUQWCOTAZFJR-BFYDXBDKSA-N 362.901 3.697 0 40 FHAB CCc1ccc([C@@H](C)NC(=O)CNc2ccc(F)c(NC(C)=O)c2)cc1 32909099 KLLAFJKKIBXTEA-CYBMUJFWSA-N 357.429 3.636 0 40 FHAB Cc1nn(C)c(C)c1NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 22838370 CWRCDTGLWWNGMD-UHFFFAOYSA-N 367.453 3.782 0 40 FHAB O=C(c1ccc2c(c1)OCCCO2)n1cccc/c1=N\C1CCCCC1 104671282 YETUXSZCPXANMK-LSDHQDQOSA-N 352.434 3.571 0 40 FHAB CCOC(=O)c1sc2ncnc(Nc3cccc(C(=O)OC)c3)c2c1C 957759 SWSMKTPFANESPV-UHFFFAOYSA-N 371.418 3.707 0 40 FHAB O=C(N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1)N1CCCCCC1 646283 NFMXCTYYFBTQOB-HNNXBMFYSA-N 364.751 3.913 0 40 FHAB Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)Nc2ncc(C)s2)n1 79475088 NURWZCCWBNLTMZ-MRXNPFEDSA-N 367.478 3.520 0 40 FHAB COc1ccc(OC)c2c1CN(C(=O)Nc1ccccc1C(C)C)C[C@@H]2O 43230328 YUHRQVNZTFFTGL-KRWDZBQOSA-N 370.449 3.908 0 40 FHAB Cc1nc(CSc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cs1 24983754 CYHIFJICKKBHRM-CHWSQXEVSA-N 362.520 3.993 0 40 FHAB Cn1cc(CCC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)cn1 55418114 HRPXXPBTIUKQFR-HXUWFJFHSA-N 353.853 3.912 0 40 FHAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H](C)Sc1ccccc1 12544137 HBKQOHPBMLOZTF-QGZVFWFLSA-N 369.534 3.866 0 40 FHAB CCCNC(=S)N1CCN(c2nc(-c3ccc(C)cc3)cs2)CC1 4967083 XPGJDFWJFAUJKV-UHFFFAOYSA-N 360.552 3.525 0 40 FHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2cccc(OC)c2)CC1=O 7928218 HFIFHFVXTSSYBB-KRWDZBQOSA-N 366.461 3.812 0 40 FHAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Oc2ccc(C)c(C)c2)CC1=O 7928769 HBZQHKCISKKDPU-CQSZACIVSA-N 373.836 3.924 0 40 FHAB Cc1c(NC(=O)[C@@H]2C[C@@H]2C)cccc1C(=O)N1CCc2sccc2C1 26405272 WFFAZZPVAXLJAW-BLLLJJGKSA-N 354.475 3.850 0 40 FHAB C[C@@H]1Cc2ccc(Br)cc2[C@H]1NCCCOC[C@H]1CCOC1 108149065 INOYTRZJPUSKDE-LBTNJELSSA-N 368.315 3.715 0 40 FHAB Cc1ccc2nc(CN(Cc3c(F)cccc3Cl)C3CC3)cc(=O)n2c1 27370189 VZHUCNWOYUWFOZ-UHFFFAOYSA-N 371.843 3.960 0 40 FHAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ncc(C)s2)c1 10028921 YJDIAXNIDNPVKE-UHFFFAOYSA-N 359.480 3.710 0 40 FHAB CCCc1ccc(NC(=O)CNc2ccccc2N2CCCC2=O)cc1 10180134 OCHKTLZKOMXROJ-UHFFFAOYSA-N 351.450 3.817 0 40 FHAB CC(C)[C@@H](Sc1nnc(-c2ccc(OC(F)F)cc2)o1)C(=O)N(C)C 58192230 SXRMQQOQQLJMAJ-GFCCVEGCSA-N 371.409 3.543 0 40 FHAB C[C@H](Sc1nc(N)c2ccsc2n1)C(=O)N1CCCc2ccccc21 9750214 SVRCJOWHWWQMRO-NSHDSACASA-N 370.503 3.734 0 40 FHAB C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)CC[C@H](NC(=O)Cc3ccccc3)[C@@H](C)[C@H]21 20466880 ZOCHGIAZUVKRRV-NARJSYQGSA-N 369.505 3.738 0 40 FHAB biogenic,in-vitro CCOc1ccc(-c2cc(C(=O)NCc3cccc(OCC)c3)n[nH]2)cc1 51315840 UBTVDCWYEKBHMM-UHFFFAOYSA-N 365.433 3.804 0 40 FHAB CCc1nc(CCNC(=O)c2ccc(F)cc2Br)sc1C 58323850 NTYRIMLDIHQPAI-UHFFFAOYSA-N 371.275 3.888 0 40 FHAB CC1(C)CC[C@@H](NC(=O)[C@H]2CCCN(c3cnccn3)C2)c2ccccc21 58421801 IRUSHNQGEUFGBS-QFBILLFUSA-N 364.493 3.622 0 40 FHAB C[C@H](NC(=O)NCc1nc2ccccc2s1)c1nc2ccccc2[nH]1 58407583 NJGHHBPWNPOCPL-NSHDSACASA-N 351.435 3.733 0 40 FHAB CCOc1cccc(-c2nnc3sc(-c4ccc(OC)cc4)nn23)c1 2263742 BHIWPVIXXPPAOD-UHFFFAOYSA-N 352.419 3.927 0 40 FHAB Cc1cc(-c2nn3c(-c4cc(Cl)cc(Cl)c4)nnc3s2)n[nH]1 36354431 GYAWIYBXRDRYQH-UHFFFAOYSA-N 351.222 3.858 0 40 FHAB CCOc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(NC(C)=O)s2)cc1 11110399 LACKCXXLTUPQHB-NSHDSACASA-N 361.419 3.533 0 40 FHAB COc1ccc(-c2nc(C(=O)NC3CC(C)(C)NC(C)(C)C3)cs2)cc1 11422763 IOGIGGQWARIUJU-UHFFFAOYSA-N 373.522 3.858 0 40 FHAB CSc1ncc(Cl)c(C(=O)O[C@H](C)C(=O)c2ccc(C)cc2)n1 11572765 UPDIBURPJUFKHU-SNVBAGLBSA-N 350.827 3.589 0 40 FHAB Cc1cccc(OCc2nnc(SCC(=O)c3ccccc3)n2C)c1C 59176348 PORXQODLDNOHHL-UHFFFAOYSA-N 367.474 3.986 0 40 FHAB Cc1oc(-c2ccccc2)nc1C(=O)NC[C@H](O)c1cccc(Cl)c1 46863520 RHJWJCSPLRHXKD-INIZCTEOSA-N 356.809 3.767 0 40 FHAB CCC(CC)C(=O)N1CCC(NC(=O)Nc2cccc(SC)c2)CC1 47324694 SFUUSAQYRIMCCE-UHFFFAOYSA-N 363.527 3.957 0 40 FHAB Cc1ccc(C(=O)CCC(=O)N[C@@H](c2ccccc2)c2nccn2C)s1 48234940 DYAXFRZBCIZGLM-IBGZPJMESA-N 367.474 3.659 0 40 FHAB CCCn1c(NC(=O)CCc2ccc3c(c2)OCO3)nc2ccccc21 10236931 CNGGTYJDNORYAG-UHFFFAOYSA-N 351.406 3.746 0 40 FHAB C[C@H](c1ccccn1)N(C1CC1)S(=O)(=O)C1=Cc2ccccc2CC1 48313161 ICZKAVLUDRWESS-OAHLLOKOSA-N 354.475 3.924 0 40 FHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)CSc2ccccc2)c(C)c1 3406517 ADDCACHKAHOERB-UHFFFAOYSA-N 356.491 3.801 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 3452026 YLTCUSMJOGGBGC-OAHLLOKOSA-N 372.852 3.644 0 40 FHAB COC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(C)cc1 3410810 NPLAIEXTBDEGPK-UHFFFAOYSA-N 374.849 3.613 0 40 FHAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2)C1=O 3563687 JTRDBCQNTUJXKY-LJQANCHMSA-N 374.799 3.519 0 40 FHAB Cc1cccc(NC(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1C 12906056 WYKUSAGBXRUAQA-GOSISDBHSA-N 365.477 3.593 0 40 FHAB O=C(c1cc(=O)[nH]c2ccccc12)N1CC=C(c2c[nH]c3ccccc23)CC1 12942511 UJABCVPYHQYBFX-UHFFFAOYSA-N 369.424 3.939 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 20042749 IVWPJLCZKUPJAZ-KGLIPLIRSA-N 363.841 3.700 0 40 FHAB CC(C)=C[C@@H]1Oc2cc(O)ccc2-c2oc3cc(O)cc(O)c3c(=O)c21 3980114 VHNPAPHWKVLGHG-HNNXBMFYSA-N 352.342 3.977 0 40 FHAB endogenous,in-man C[C@](O)(Cc1nc(-c2ccc(N3CCCCC3)nc2)no1)c1ccccc1 96003507 WWERRQVMUWEJML-NRFANRHFSA-N 364.449 3.572 0 40 FHAB COc1ccc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)c(F)c1 6113579 WFEZWNBRWVFBFX-UHFFFAOYSA-N 371.286 3.649 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(C)n2-c2ccccc2)c1C 6109128 ABLXMCFLXYNVMA-UHFFFAOYSA-N 368.462 3.698 0 40 FHAB O=C(NC1(c2nc(-c3ccncc3)no2)CCCCC1)c1ccccc1F 65257820 GGDPIAYVCMOXFD-UHFFFAOYSA-N 366.396 3.860 0 40 FHAB C[C@H](NC(=O)c1cn(C)c2ccc(F)cc2c1=O)c1ccc(Cl)cc1 22236543 RRFHKFKATLLGOJ-NSHDSACASA-N 358.800 3.822 0 40 FHAB COc1ccc(-c2nnc3c4cnn(-c5cc(C)cc(C)c5)c4ncn23)cc1 5270065 ORCQIDHGVYLAGC-UHFFFAOYSA-N 370.416 3.756 0 40 FHAB CCn1c(COc2ccccc2)nnc1SCC(=O)c1ccc(F)cc1 5499173 VLZLICMRMRPKGY-UHFFFAOYSA-N 371.437 3.991 0 40 FHAB Cc1nc(-c2cccc(NS(=O)(=O)c3cccc(C(=O)O)c3)c2)cs1 6581674 BOTQKGKOMVUYMM-UHFFFAOYSA-N 374.443 3.618 0 40 FHAB FC(F)n1c(CSc2nnnn2Cc2ccccc2)nc2ccccc21 14903079 OMMUZCDQUMKUPE-UHFFFAOYSA-N 372.404 3.759 0 40 FHAB CNC(=O)c1cccc(N[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 7221066 XLKBSPYUFRRGRA-LLVKDONJSA-N 365.355 3.504 0 40 FHAB Cc1cc(OCC(=O)OCC(=O)N2c3ccccc3C[C@H]2C)ccc1Cl 7698925 VHHIFBBYCCMBCA-CQSZACIVSA-N 373.836 3.548 0 40 FHAB COc1ccc(OC)c(NC(=O)COc2ccccc2C(F)(F)F)c1 9513811 HRTZDQWCEOIPRU-UHFFFAOYSA-N 355.312 3.740 0 40 FHAB C[C@H](NC(=O)CSc1nnc(C2CC2)n1C)c1ccc2c(c1)CCCC2 7826136 BRSVSKCJBSGDRL-ZDUSSCGKSA-N 370.522 3.541 0 40 FHAB CCc1ccccc1NC(=O)Cn1cc(-c2ccc(F)cc2)[n+]2c1CCC2 16956236 RTOVAMJWOGEOBE-UHFFFAOYSA-O 364.444 3.729 0 40 FHAB Cc1ccc(NC(=O)CN(C)C(=O)CCSc2ccc(F)cc2)cc1 8374409 YNWNBHIGOHNJOF-UHFFFAOYSA-N 360.454 3.713 0 40 FHAB C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1nnc(C(F)(F)F)s1 9667799 RJNSODJVHNGGLB-ZCFIWIBFSA-N 373.385 3.553 0 40 FHAB O=C(COC(=O)c1cc(Cl)c[nH]1)N[C@H](c1ccccc1)c1cccs1 8752365 MXIQLZVVHFXZRR-QGZVFWFLSA-N 374.849 3.792 0 40 FHAB CS(=O)(=O)c1ccc2c(c1)CCCN2Cc1cccc2cccnc12 83989800 PPGMTSLUMFLVON-UHFFFAOYSA-N 352.459 3.591 0 40 FHAB CCOC(=O)c1csc(NC(=O)c2nc(C)sc2CC(C)C)n1 72403961 WNFYLMUWKLDLRW-UHFFFAOYSA-N 353.469 3.536 0 40 FHAB CC(C)(C)c1cnc(COC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)o1 95396818 SUOROMJGAQJFDC-DHZHZOJOSA-N 368.433 3.856 0 40 FHAB COc1ccc(CNC(=O)CCCn2ccc3cc(Cl)ccc32)cn1 89649237 IPDVLRZZFLBGLW-UHFFFAOYSA-N 357.841 3.795 0 40 FHAB Cc1sc(NC(=O)CN2CCO[C@@H](c3ccccc3F)C2)c(C)c1C 75685653 NPIQTHPYUGRSCP-QGZVFWFLSA-N 362.470 3.824 0 40 FHAB COCCN1C(=O)c2ccccc2N[C@H]1c1ccccc1C(F)(F)F 25310013 XCUZEMIIBPZDDB-MRXNPFEDSA-N 350.340 3.918 0 40 FHAB CN1CCN(C(=S)c2cccc(OCc3ccc(Cl)cc3)c2)CC1 408578416 YHOFYKREKUHCNA-UHFFFAOYSA-N 360.910 3.842 0 40 FHAB FC(F)(F)c1nc(Cl)c2c(I)cccc2n1 26894535 JRWSAJWEJGPLHS-UHFFFAOYSA-N 358.488 3.907 0 40 FHAB O=c1c2ccccc2nc(SCc2ccccc2Cl)n1CCCO 21328427 KAUQFRDYQFGJPW-UHFFFAOYSA-N 360.866 3.725 0 40 FHAB Cc1cc(C(=O)NCC2(c3ccccc3)CCCC2)c2c(C)nn(C)c2n1 25171172 BKQIFNLNMUVUII-UHFFFAOYSA-N 362.477 3.827 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 408736818 IKVMSSJXJCZYIV-KRWDZBQOSA-N 366.417 3.570 0 40 FHAB O=C(O)c1cccc(Cl)c1CN1CCC(OC[C@H]2CCCCO2)CC1 515660180 PVZFLJOJWRXIDM-OAHLLOKOSA-N 367.873 3.588 0 40 FHAB CCSc1ccccc1C(=O)NCc1nc(-c2cccc(OC)c2)no1 219651553 AHFATUNXRQANOS-UHFFFAOYSA-N 369.446 3.787 0 40 FHAB COc1cc2c(cc1OC)[C@H](NC(=O)CCn1ccc3ccccc31)CC2 524733878 YTFBJFOSSMRHOK-GOSISDBHSA-N 364.445 3.852 0 40 FHAB CC1(C)CO[C@@H](CC(=O)Nc2ccc(-n3cnc4ccccc43)nc2)C1 1532769775 VTTUMEFTWYGYDP-HNNXBMFYSA-N 350.422 3.564 0 40 FHAB O=C(O)[C@H]1CS[C@@H](c2ccc(F)cc2)N1C(=O)c1ccc(Cl)cc1 35110296 WOHVAZXZWUTCHL-ZBFHGGJFSA-N 365.813 3.820 0 40 FHAB CCCOc1ccc(-c2nc(NC(=O)COc3ccc(C)cc3)no2)cc1 32623303 NVGYNCDAIHKFRA-UHFFFAOYSA-N 367.405 3.851 0 40 FHAB COc1cccc(CN2CCC[C@@H](c3nnc(-c4ccccn4)o3)C2)c1 72390036 CTNPLZQFQPCOKQ-MRXNPFEDSA-N 350.422 3.520 0 40 FHAB COc1ccc(-c2nc(C)sc2C(=O)Nc2ccc(OC)nc2)cc1 72402304 CZWIZORTFDEJDU-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB Nc1cc(Cl)c(NC(=O)COc2ccccc2)cc1N1CCCCC1 72229597 AJVDCZBPCYTPAH-UHFFFAOYSA-N 359.857 3.930 0 40 FHAB O=C1C[C@H](c2cccnc2)c2c(c(C(=O)O)cn2-c2ccccc2Cl)N1 49550457 NHXVTFZLACLJBI-GFCCVEGCSA-N 367.792 3.698 0 40 FHAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 222860344 QFVZPBHHUNTEQS-RBUKOAKNSA-N 363.490 3.650 0 40 FHAB CCSc1ccccc1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 223875489 MMRRFHZKEFNMNP-CYBMUJFWSA-N 363.504 3.693 0 40 FHAB COc1cccc(OCC(=O)NCCSCc2cccc(Cl)c2)c1 222787261 VKECCPUYHYZFPW-UHFFFAOYSA-N 365.882 3.777 0 40 FHAB Cc1noc(-c2ccnc(SCC(=O)Nc3ccccc3Cl)c2)n1 49405364 ZEKFGRDNZMJCMY-UHFFFAOYSA-N 360.826 3.824 0 40 FHAB COc1ccc(/C=C/C(=O)NCCOc2cccc(C)c2C)cc1OC 223897913 LULGEXOQWWNKSR-PKNBQFBNSA-N 355.434 3.529 0 40 FHAB COc1ccc(CCC(=O)N(C)Cc2nc(-c3ccccc3C)no2)cc1 225319443 DJUFZUOQPDXEQL-UHFFFAOYSA-N 365.433 3.645 0 40 FHAB CCOC(=O)c1cc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)ccc1OC 225831673 NSUSUDDBDMIZBG-JLTOFOAXSA-N 363.454 3.796 0 40 FHAB COc1ccc(NC(=S)NCCCc2ccccc2OC)c(OC)c1 225549577 MGKGDACKFJDRPB-UHFFFAOYSA-N 360.479 3.632 0 40 FHAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1 225676924 JHUNYLFHBVMANI-KRWDZBQOSA-N 370.468 3.558 0 40 FHAB CC(C)(Cc1ccccc1)NC(=O)c1ccc(CN2CCCC2=O)cc1 223980745 WWFVJBOEPYJXQU-UHFFFAOYSA-N 350.462 3.560 0 40 FHAB CCOc1ccc(C(=O)Nc2nc(CN3C[C@H](C)C[C@@H](C)C3)cs2)cn1 44954869 QSMGFUMGIVBSPA-ZIAGYGMSSA-N 374.510 3.667 0 40 FHAB O=C(CCSc1ccccc1)N1CC[C@@H](N2CCc3ccccc3C2)C1 225685170 LTZSTTDMQZXBOB-HXUWFJFHSA-N 366.530 3.828 0 40 FHAB COc1ccc(CNC(=S)Nc2ncc(Br)cc2C)cc1 223926009 RPWIANAITYVQHW-UHFFFAOYSA-N 366.284 3.648 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)c1 223491639 KWRZOYWZRXQPSJ-HOTGVXAUSA-N 357.450 3.965 0 40 FHAB Cc1nc(-c2nnsc2C(=O)OCc2c(F)cccc2Cl)co1 223861326 DMCYGLBVGCGBEO-UHFFFAOYSA-N 353.762 3.651 0 40 FHAB CC(C)n1cc2cc(NC(=O)N3CCC(c4ccncn4)CC3)ccc2n1 576253957 RHOQCOYTIIIQHW-UHFFFAOYSA-N 364.453 3.819 0 40 FHAB CCS(=O)(=O)N[C@@H]1CC2(CCN(c3ccccc3)CC2)c2ccccc21 96079103 OLESCRZOIJIEMG-HXUWFJFHSA-N 370.518 3.609 0 40 FHAB COc1ccc(C[C@H]2CN(C3CCOCC3)CC[C@H]2OCC2CC2)cc1 96110310 HSUGCFNRWYWJQA-SIKLNZKXSA-N 359.510 3.534 0 40 FHAB CC(C)(C)OC(=O)N1CCC(CN)(c2cccc(C(F)(F)F)c2)CC1 98213779 OJULKJYXPZKNCR-UHFFFAOYSA-N 358.404 3.933 0 40 FHAB CCOC[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)Cc2cncn21 253386432 WSMXLOZCGHMKFT-OAHLLOKOSA-N 359.813 3.516 0 40 FHAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccn2)S1 260774945 OGNBCUYUQFAZNC-NIKGAXFTSA-N 361.474 3.857 0 40 FHAB OC[C@H](c1ccc(Cl)cc1)N1CCN(Cc2cccc3cc[nH]c23)CC1 678261677 WURZTNMSBKZXRN-HXUWFJFHSA-N 369.896 3.673 0 40 FHAB CCOc1ccc(CC(=O)NCC2(OC)C3CC4CC(C3)CC2C4)cc1 96123857 GYVTUFOKQAZDBC-UHFFFAOYSA-N 357.494 3.585 0 40 FHAB CC(C)(C)OC(=O)NC[C@@H](CC(=O)O)c1ccc(Br)s1 685944155 SAYKDYYTMHAZHY-MRVPVSSYSA-N 364.261 3.594 0 40 FHAB Cc1cccc(Cc2cnc(NC(=O)[C@@H](C)NC(=O)C3CCCC3)s2)c1 40145137 DFLPRYVEXZRWBM-CQSZACIVSA-N 371.506 3.676 0 40 FHAB CCC(CC)[C@@H](NC(=O)[C@@H](C)Sc1nncn1C)c1cccs1 56008512 NNUNUMZCWPQVLL-BXUZGUMPSA-N 352.529 3.651 0 40 FHAB O=C(CCc1ccc(Cl)s1)Nc1ccccc1N1CCC(O)CC1 78624213 KGJZIWYZIUBVPO-UHFFFAOYSA-N 364.898 3.934 0 40 FHAB Cc1ccccc1C[C@H]1CCCN1CC(=O)N[C@@H]1CCOc2ccccc21 514181566 BGXPVEVDYQEIQN-TZIWHRDSSA-N 364.489 3.642 0 40 FHAB Cc1ccc(S(=O)(=O)NC(=O)Sc2nc3ccccc3s2)cc1 5929704 BWRWVPBWCRESIQ-UHFFFAOYSA-N 364.473 3.795 0 40 FHAB C#CCOc1ccc(C=NNc2ccc(Cl)c(C(=O)O)c2)cc1OC 5743974 ZUIBFCSPDZNRMH-UHFFFAOYSA-N 358.781 3.505 0 40 FHAB Cc1cccc(Nc2nc(N)nc(COc3cccc4cccnc34)n2)c1C 14163570 DZHDDIOLMDVXCT-UHFFFAOYSA-N 372.432 3.941 0 40 FHAB COc1ccc(C(C)=O)cc1CC(=O)N[C@@H]1CCSc2ccccc21 14180359 LUMCSPXSEXGXPK-QGZVFWFLSA-N 355.459 3.794 0 40 FHAB COc1ccccc1CN1C[C@@H]2CCC[C@H](C1)C2(O)c1ccc(C)cn1 19215726 NPDXQYGWODGFKQ-QIDMFYOTSA-N 352.478 3.518 0 40 FHAB COc1ccc(OC)c(C(=O)N2CCC[C@H](c3cc4ncccc4[nH]3)C2)c1 19551042 FDWNISZABZNCEQ-AWEZNQCLSA-N 365.433 3.600 0 40 FHAB CCCc1nnc(S/C(=C\c2c(C)n(C)c3ccccc23)C(=O)O)[nH]1 7342361 ZWZMREFEPYDYHD-GDNBJRDFSA-N 356.451 3.775 0 40 FHAB CCCN1C(=O)/C(=C/c2ccccc2OCc2cccc(F)c2)NC1=S 3662773 KJGKDPQQGSWEAL-ATVHPVEESA-N 370.449 3.872 0 40 FHAB Cc1nc2ccc(C(=O)NC[C@H](c3ccc(F)cc3)N3CCCC3)cc2[nH]1 12143773 IGSRQCRFCPHUGH-HXUWFJFHSA-N 366.440 3.577 0 40 FHAB CCOc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1 5936075 IQSJSYJFUPQRAL-OAHLLOKOSA-N 354.450 3.747 0 40 FHAB O=C(OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2)c1cnccn1 6486374 JQOPXMYQHWKNEY-FQEVSTJZSA-N 366.348 3.581 0 40 FHAB C[C@H](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccc(F)cc1F 22316243 ACAPZTXTBQIIDQ-JSGCOSHPSA-N 358.388 3.733 0 40 FHAB O=S(=O)(NCCc1ccc(Cl)cc1)c1ccc(Br)cc1 5768487 FYONTIPQOXLVHJ-UHFFFAOYSA-N 374.687 3.624 0 40 FHAB Cc1cc2cc(CCNC(=O)c3ccc(Cl)cc3)c(=O)[nH]c2cc1C 3911665 XPHBUFRJAFMPDU-UHFFFAOYSA-N 354.837 3.771 0 40 FHAB Cc1ccc(CSc2ncc(CO)n2Cc2ccc3c(c2)OCO3)cc1 4156066 AGKYGDPXHXRWIK-UHFFFAOYSA-N 368.458 3.753 0 40 FHAB O=C(c1ccc2c(c1)OCO2)N(Cc1ccsc1)Cc1ccccn1 44445969 IJFGMNKHNHVDHJ-UHFFFAOYSA-N 352.415 3.714 0 40 FHAB Cc1ccccc1-c1noc(-c2nn(-c3ccc(F)c(F)c3)ccc2=O)n1 49006391 SXKCZJONERLNTK-UHFFFAOYSA-N 366.327 3.536 0 40 FHAB CCOC(=O)c1cnc(SCc2ccc(Cl)c(Cl)c2)[nH]c1=O 17316209 MCXGHFVAMGGODL-UHFFFAOYSA-N 359.234 3.546 0 40 FHAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)C1(C)C 25611970 GTYUESRNEPUSFF-LPHOPBHVSA-N 369.509 3.953 0 40 FHAB CN(C(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)c1ccccc1 40107396 XIPXLPKODFGLQI-CQSZACIVSA-N 363.383 3.980 0 40 FHAB Cc1cc(C)c(NC(=S)N2CCC[C@H](C(=O)NC3CC3)C2)c(Cl)c1 50253062 SOFVWTDLAYHDAM-ZDUSSCGKSA-N 365.930 3.644 0 40 FHAB CCc1cc(=O)oc2c3c(ccc12)OCN(CCc1ccc(OC)cc1)C3 20403860 FWWBVGYVJFSNSD-UHFFFAOYSA-N 365.429 3.759 0 40 FHAB biogenic Cc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2c(cnn2C(C)C)c1 32097891 LZAZBAUDCDEEBD-UHFFFAOYSA-N 364.858 3.775 0 40 FHAB Cc1occc1C(=O)Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 32796111 CDZDYUKQHOPVAL-UHFFFAOYSA-N 364.357 3.821 0 40 FHAB Cc1cc(C)c(S(=O)(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c(C)c1 32771264 GMLPZORZWDXDPM-GOSISDBHSA-N 363.454 3.513 0 40 FHAB COC(=O)N1CSC2(c3ccccc3-c3ccccc32)N1C(=O)OC 651237 DXRVLDNKEDKSGR-UHFFFAOYSA-N 356.403 3.624 0 40 FHAB O=C(c1ccc(I)cc1)N1CCC[C@H]1c1ccc[nH]1 42375574 ZDRJUKDWPRTRKH-AWEZNQCLSA-N 366.202 3.597 0 40 FHAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCC(C)(C)C 104439481 NUXBUXUNXUUXEA-IBGZPJMESA-N 357.498 3.548 0 40 FHAB COc1cc(OC)c(C(=O)Nc2nc3ccc(C)cc3s2)cc1OC 683169 HECUVWDKSMUCRL-UHFFFAOYSA-N 358.419 3.883 0 40 FHAB COc1cc(OC)cc(OC[C@H](O)Cn2c(C(C)C)nc3ccccc32)c1 810198 KTKPUXPGODIMKX-OAHLLOKOSA-N 370.449 3.617 0 40 FHAB Cc1ccc(C)c(NC(=O)CSc2nnc(C)n2-c2ccccc2)c1 897344 OJTIYGJERDNLIW-UHFFFAOYSA-N 352.463 3.923 0 40 FHAB CCOC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3ccccc3)coc2c1 943263 BERMIGFJEXYYHA-ZDUSSCGKSA-N 354.358 3.916 0 40 FHAB biogenic Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1nnc([C@H]2CCCO2)s1 959133 FOOIVQURKMZRDH-ZWNOBZJWSA-N 367.858 3.757 0 40 FHAB CCC(=O)N(Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O 1359253 UNMIWZDPPLGORL-UHFFFAOYSA-N 352.409 3.914 0 40 FHAB O=C1CCC(=O)N1[C@@H](Oc1ccc(Br)cc1)c1ccccc1 2044179 XPACXPKIAHVDJF-KRWDZBQOSA-N 360.207 3.676 0 40 FHAB C[C@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21 2501819 HNJKBZFXEQRSDP-MZNJEOGPSA-N 371.436 3.940 0 40 FHAB COc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]c2=O)cc1 2950764 REWKBTXQKJGFMK-UHFFFAOYSA-N 371.396 3.851 0 40 FHAB COc1ccc(C)cc1NC(=O)COC(=O)c1cc(F)c(F)cc1Cl 3232165 KYAFGDSQWCSUFD-UHFFFAOYSA-N 369.751 3.731 0 40 FHAB Cc1ccc(N2C[C@@H](C(=O)OCc3nc4ccccc4s3)CC2=O)cc1 3372936 OISHBZHDNCIIDQ-AWEZNQCLSA-N 366.442 3.701 0 40 FHAB Cc1cc(C)n2nc(SCC(=O)c3c(C)c(C)cc(C)c3C)nc2n1 3467413 RFQSDDOJZGUJLX-UHFFFAOYSA-N 354.479 3.950 0 40 FHAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc2c(c1)CCC2 3602632 POBCANBFIWGEMP-UHFFFAOYSA-N 351.431 3.956 0 40 FHAB Cc1ccc2cc(CCNC(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1C 3911888 FQXAQJBOSISZSK-UHFFFAOYSA-N 354.837 3.771 0 40 FHAB COc1cc(OC)cc(C(=O)N2CCN=C2SCc2ccccc2F)c1 4120526 OGZOGRXSKLFFIL-UHFFFAOYSA-N 374.437 3.588 0 40 FHAB CC(=O)N1N=C(c2cccc(C)c2)O[C@H]1c1ccc(Br)cc1 4357666 BCVMPJVLITZHDQ-KRWDZBQOSA-N 359.223 3.997 0 40 FHAB Cc1nn(-c2ccccc2)c2c1[C@@H]1C(=C(N)S2)C(=O)Oc2ccccc21 4395759 SQWISFKKIGBKJV-MRXNPFEDSA-N 361.426 3.508 0 40 FHAB O=C(OC1CCCCC1)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1 4592812 HBJQYTJSDMIQTC-FTUNRGFVSA-N 367.445 3.712 0 40 FHAB COc1ccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 4835033 WKVIJYQGYRJPOO-ZDUSSCGKSA-N 358.825 3.649 0 40 FHAB Cc1ccc(C)c(C(=O)COC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c1 4988245 JJXBRVAZJUMRQR-IBGZPJMESA-N 368.429 3.901 0 40 FHAB CCCCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccccn2)cc1 5060207 MPQSMBHQTKGQKY-UHFFFAOYSA-N 354.406 3.640 0 40 FHAB O=C(COC(=O)c1cc2c(s1)CCCCC2)Nc1cccnc1Cl 5361749 CQPZIIMGUQZLPL-UHFFFAOYSA-N 364.854 3.861 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)c1 5512267 HWCCIBPQZKYACI-UHFFFAOYSA-N 351.786 3.627 0 40 FHAB CCOC(=O)C1=C(C)N(CC)C(=O)N[C@@H]1c1cccc(C(F)(F)F)c1 5708635 AORPYGDKXYYBON-CQSZACIVSA-N 356.344 3.629 0 40 FHAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2ccc(Cl)cc2)C1=O 5791459 BXFGMTKJGBXCMH-KRWDZBQOSA-N 350.752 3.585 0 40 FHAB COc1ccc(NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)c(OC)c1 5858855 FPXIWYDSPGRBJU-UHFFFAOYSA-N 371.433 3.797 0 40 FHAB COc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1 5930404 ZWCGRJWCJANKPZ-UHFFFAOYSA-N 362.437 3.968 0 40 FHAB CN(C(=O)CSCC(=O)Nc1ccc(Cl)cc1)C1CCCCC1 6649681 XXZQMZRZOAYQKX-UHFFFAOYSA-N 354.903 3.803 0 40 FHAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NCc1cccc(Cl)c1 6778372 BWSKHKDJVOJXQJ-KRWDZBQOSA-N 362.832 3.550 0 40 FHAB CCOC(=O)[C@@H]1CCCN(C(=O)Cc2coc3ccc4ccccc4c23)C1 6843808 GOMATZMZWIHAHP-MRXNPFEDSA-N 365.429 3.930 0 40 FHAB CSc1nc2ccc(NC(=O)Cc3ccc4c(c3)OCCO4)cc2s1 6886740 XQDPFHUEPYBDMU-UHFFFAOYSA-N 372.471 3.971 0 40 FHAB C[C@@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccs1 7309035 SATBWOGRZVHZPX-SECBINFHSA-N 351.371 3.686 0 40 FHAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cccc(-n2cnnn2)c1 7738067 LBAZPPCLQSDTKG-UHFFFAOYSA-N 355.401 3.511 0 40 FHAB COc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)cc(OC)c1OC 7755906 NQLGFXDVIRBPLS-UHFFFAOYSA-N 369.339 3.661 0 40 FHAB O=C(O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 7882476 OMEYNFYONFCQNN-INIZCTEOSA-N 374.396 3.530 0 40 FHAB CCN(CC)C(=S)S[C@H](C)C(=O)N[C@H]1CCCc2ccccc21 7980071 NELQUEVWFPYVED-CJNGLKHVSA-N 350.553 3.929 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1OC 8041687 TZDZTMWBRGLMKM-MRXNPFEDSA-N 357.406 3.668 0 40 FHAB O=C(OCc1ccc(-n2cccn2)cc1)c1cc(Cl)c2c(c1)OCO2 8156731 QZVGAYFLJQSXFU-UHFFFAOYSA-N 356.765 3.611 0 40 FHAB Cc1cccc(-c2nnc(SCC(=O)NCCc3ccccc3C)o2)c1 8211389 ALEOMTASQWITCF-UHFFFAOYSA-N 367.474 3.804 0 40 FHAB O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1cc2ccccc2o1 8560875 AXECJTQBJUGLRX-UHFFFAOYSA-N 361.386 3.851 0 40 FHAB COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(C)ccc2C)c1 8843868 NSCONRRQOINJSJ-LJQANCHMSA-N 365.433 3.579 0 40 FHAB O=C(COc1ccccc1C(=O)N1CCCCC1)Nc1ccc(F)c(F)c1 9154747 OODMENVDRXLAFX-UHFFFAOYSA-N 374.387 3.608 0 40 FHAB COc1ccc2oc(C)c(C(=O)Nc3ccc(N(C)C(C)=O)cc3)c2c1 11866467 LJJOQNLERKKUDE-UHFFFAOYSA-N 352.390 3.985 0 40 FHAB biogenic Cn1ccnc1-c1sc(NC(=O)c2cccnc2)nc1-c1ccccc1 12535504 XGSHIJGGDGRNAK-UHFFFAOYSA-N 361.430 3.858 0 40 FHAB CCn1c2ccccc2c2cc(NC(=O)CNCc3ccccn3)ccc21 12603696 QDGBBVKXTIEPJX-UHFFFAOYSA-N 358.445 3.938 0 40 FHAB CN(C)c1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)cc1 12643842 BHEARSZPEUELQK-UHFFFAOYSA-N 360.841 3.749 0 40 FHAB Cc1cccc(NC(=O)CNC(=O)c2cc3c(s2)CC[C@H](C)C3)c1C 12875943 DECVFUSBFIUUJT-LBPRGKRZSA-N 356.491 3.858 0 40 FHAB Nc1cccc(S[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1 13576540 NWZIAPBWJARAHQ-ZDUSSCGKSA-N 367.257 4.000 0 40 FHAB CC(C)n1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1ccco1 13956309 SPHSXKBLBBCNTI-KGLIPLIRSA-N 362.499 3.906 0 40 FHAB O=S(=O)(c1cc(F)cc(F)c1)N1CC=C(c2c[nH]c3ccccc23)CC1 14098909 WAEITGXIVZYCGT-UHFFFAOYSA-N 374.412 3.924 0 40 FHAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc3ccc(=O)oc3c2)cc1Cl 14139406 ITWYBZMNUONPAT-LLVKDONJSA-N 373.792 3.861 0 40 FHAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCCOc1ccc2ccccc2c1 14318966 RVWGCCOJTKAEHX-BTYIYWSLSA-N 363.413 3.563 0 40 FHAB O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc2c(c1)OC(F)(F)O2 16103835 SYHWRUJERKBRCR-UHFFFAOYSA-N 351.280 3.749 0 40 FHAB O=C(CCc1csc(NC(=O)Nc2ccccc2)n1)Nc1nccs1 16848989 AVTMZPAVJODOAU-UHFFFAOYSA-N 373.463 3.815 0 40 FHAB COc1ccccc1Nc1nn2c(=O)c3cc(Cl)ccc3nc2s1 16973923 BXKWWIIBJSOVCM-UHFFFAOYSA-N 358.810 3.710 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)Oc2ccccc2F)cc1OC 19078663 SLFUQDODZQJQNZ-YOEHRIQHSA-N 373.424 3.974 0 40 FHAB O=C(COC(=O)c1ccc(Cl)cc1Cl)NCc1ccccc1F 19130272 XSVSXAKOPLWIAH-UHFFFAOYSA-N 356.180 3.606 0 40 FHAB O=C(C1CCCCC1)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19406677 DRDXMBMTAWHBLB-UHFFFAOYSA-N 371.506 3.785 0 40 FHAB CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 19924758 CNLMDMVHVCDMBA-UHFFFAOYSA-N 372.387 3.835 0 40 FHAB Fc1ccc(-c2nc(CN3CCN(c4nccs4)CC3)cs2)cc1 21335166 HCWWUOCSROIGDZ-UHFFFAOYSA-N 360.483 3.728 0 40 FHAB Cc1nn(C)c2ncc(NC(=O)CCc3ncc(-c4ccccc4)o3)cc12 22473129 GHXBMZGNDMLWDH-UHFFFAOYSA-N 361.405 3.503 0 40 FHAB COc1ccc(C)cc1NC(=O)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 22540732 FVXFRJZBXGVJQL-INIZCTEOSA-N 354.450 3.745 0 40 FHAB CC(C)CCC(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 24923627 YMFMEALFJHGWDD-UHFFFAOYSA-N 367.496 3.556 0 40 FHAB CCC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 24973413 SUNTUYOKZINOAR-FXAWDEMLSA-N 368.477 3.829 0 40 FHAB CC(=O)c1ccc(NC(=O)CCSc2nccc(C(F)(F)F)n2)cc1 24988304 MQFOIMHFGSTPTC-UHFFFAOYSA-N 369.368 3.819 0 40 FHAB CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)OCc1cc(F)ccc1OC 25065730 VTNXNKWNOZRDCL-IFXJQAMLSA-N 373.424 3.722 0 40 FHAB COc1ccc(Cl)cc1CN1CCN(C(=O)c2cc(C)oc2C)CC1 25202346 MUEJKQBMHGSUIP-UHFFFAOYSA-N 362.857 3.516 0 40 FHAB CC(C)(CNC(=O)CCc1ccccc1F)N1CCc2ccccc2C1 25898093 UOITXYFBRHGITN-UHFFFAOYSA-N 354.469 3.711 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2OCC(F)(F)F)c1C 26136861 BACINQQOHDSBHC-UHFFFAOYSA-N 370.327 3.612 0 40 FHAB CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccccc2Cl)NC(=O)N1 26920106 UHJHMENHOCUJBM-INIZCTEOSA-N 359.788 3.746 0 40 FHAB O=C(NCc1ccc(Cn2ccnc2)cc1)c1cc2c(s1)CCCC2 27544850 YRFBILQDMDXKCR-UHFFFAOYSA-N 351.475 3.802 0 40 FHAB COc1ccc(C(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)cc1OC 28230689 SSNXFPJYDZCQOV-UHFFFAOYSA-N 371.824 3.854 0 40 FHAB CCc1ccc(-c2csc(NC(=O)[C@H]3CCCO3)c2C(=O)OC)cc1 28284570 APJFQOZIJNOOIF-OAHLLOKOSA-N 359.447 3.882 0 40 FHAB COC(=O)c1oc(CN2CCC[C@H](c3nc4ccccc4o3)C2)cc1C 29833290 FXICGFMXZXFSAN-AWEZNQCLSA-N 354.406 3.895 0 40 FHAB CC(=O)N[C@H](CC(=O)N[C@@H](C)c1cccs1)c1ccc(Cl)cc1 32736303 AKEBVBNSAKZYLR-XHDPSFHLSA-N 350.871 3.846 0 40 FHAB O=c1cc(COc2ccccc2C(F)(F)F)nc2ccc(Cl)cn12 32865469 VDDHSSFYIMMATC-UHFFFAOYSA-N 354.715 3.946 0 40 FHAB Cc1nc2ccc(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)cc2nc1C 32906516 NWZVUTIPVBHJFK-UHFFFAOYSA-N 374.444 3.735 0 40 FHAB CNC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1[C@@H]1CCC[C@@H](C)[C@H]1C 34884177 ISZZNILOTVTRHA-VWPFQQQWSA-N 373.522 3.620 0 40 FHAB Cc1ccc(NC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 35289006 MYYVDZCANRWZDT-UHFFFAOYSA-N 355.413 3.560 0 40 FHAB CCC[C@H](C)NC(=O)CSCc1nc(-c2cccc(Cl)c2)no1 40067425 CEXBJVNJGDSDRO-NSHDSACASA-N 353.875 3.928 0 40 FHAB O=C(Nc1ccc(F)c(F)c1F)N1CCN(Cc2cccs2)CC1 40097365 HSTLVJURRNGAMH-UHFFFAOYSA-N 355.385 3.515 0 40 FHAB CCc1nc(NC(=O)CCc2nnc(-c3ccc(C)cc3)o2)sc1C 40118925 XLVRNWMRRJCSMK-UHFFFAOYSA-N 356.451 3.944 0 40 FHAB CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(S(C)(=O)=O)cc1 43417430 WDKMNZPMJAWDGC-HNNXBMFYSA-N 364.492 3.693 0 40 FHAB C[C@H](NC(=O)c1csc(-c2ccco2)n1)c1ccc2c(c1)CCC(=O)N2 45977202 BEEYISKCLJIBSZ-NSHDSACASA-N 367.430 3.779 0 40 FHAB Cc1nc(S[C@@H](C)c2ccc(OC(F)F)cc2)sc1CC(N)=O 58167515 ZVQGVPDDESNVQB-VIFPVBQESA-N 358.435 3.934 0 40 FHAB Cc1ccc(C(=O)CCC(=O)Nc2cnn(Cc3ccncc3)c2)cc1C 58172696 IISXYFAOTAAAOO-UHFFFAOYSA-N 362.433 3.545 0 40 FHAB O=C(Cc1ccccc1)N1N=C(C2CCCCC2)C[C@]1(O)C(F)(F)F 58187185 AIUJZLGMVOLANN-KRWDZBQOSA-N 354.372 3.649 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@@H](C)CC[C@@H]1CCCO1 58217922 XWBXXOHZLXLKGN-UGSOOPFHSA-N 359.445 3.706 0 40 FHAB C[C@H](c1cccnc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 58316677 AGAHKHVQLXEMRD-CQSZACIVSA-N 350.388 3.769 0 40 FHAB O=C(Nc1ccccc1N1CCOC1=O)c1csc(-c2ccco2)n1 65474435 VBLNUVOTMIYSIF-UHFFFAOYSA-N 355.375 3.612 0 40 FHAB CCOc1cc2c(cc1NC(=O)c1c(Cl)nc3ccccn13)O[C@@H](C)C2 65523680 CIXJSGOSNQXXRZ-NSHDSACASA-N 371.824 3.962 0 40 FHAB Cc1cc(N2CCC[C@@H](OC(=O)c3cnc(C(C)(C)C)s3)C2)nc(C)n1 66732353 UWWZHMNMQFDZPW-CQSZACIVSA-N 374.510 3.673 0 40 FHAB COc1ccc2oc(C)c(C(=O)NCc3ccc(-n4ccnc4)cc3)c2c1 69391309 FLBXWUSYCXETIJ-UHFFFAOYSA-N 361.401 3.866 0 40 FHAB Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)CC[C@@H]2CCCCO2)cc1 72303170 ZBDNABHCRLZQAC-LEWJYISDSA-N 359.510 3.894 0 40 FHAB CCCN1CCN(CC2CC2)[C@@H](Cc2ccccc2-c2cccnc2)C1=O 72351566 MCIJGXBZQIAJGY-QFIPXVFZSA-N 363.505 3.624 0 40 FHAB CCN1CCC2(CC1)CN(Cc1cccnc1)Cc1cc(C)ccc1O2 72394194 NQGAPSBZUNOEGD-UHFFFAOYSA-N 351.494 3.639 0 40 FHAB CC(C)Oc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 75248732 KYIYESWIEPPFDX-RMKNXTFCSA-N 364.489 3.945 0 40 FHAB COc1ccc([C@@H](C)NC(=O)NCc2ccc(-c3ccn[nH]3)cc2)cc1F 78943612 WXYHDCFWWBBSRU-CYBMUJFWSA-N 368.412 3.785 0 40 FHAB Cc1nn(C)c(C)c1[C@@H]1SCC(O)=Nc2ncn(-c3ccc(F)cc3)c21 79491108 PPHWTFFIMMXJSW-KRWDZBQOSA-N 371.441 3.786 0 40 FHAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cc2sc(N(C)C)nc2s1 84692043 XXFKRAPMCPIUBX-NEPJUHHUSA-N 367.540 3.749 0 40 FHAB CC[C@]1(C)Cc2nc3nc(S)n(-c4ccccc4C)c(=O)c3cc2CO1 84711139 VCKHVZPHJQCVRA-HXUWFJFHSA-N 367.474 3.619 0 40 FHAB O=C(Nc1cnn(-c2ccccc2F)c1)c1nc(Cl)ccc1Cl 88252341 SRMWJQCTPUFNSA-UHFFFAOYSA-N 351.168 3.966 0 40 FHAB Cc1cc(NC(=O)N[C@H](c2c(C)nn(C)c2C)C(F)(F)F)ccc1F 89587779 JDWVIZQZQUCUAB-CQSZACIVSA-N 358.339 3.910 0 40 FHAB Cc1cc(C)n(-c2cncc(N[C@H]3CCCC[C@@H]3OC3CCCC3)n2)n1 89595896 JYOVJNOIRGKLQG-ROUUACIJSA-N 355.486 3.961 0 40 FHAB O=C1C[C@H](N(O)c2ccccc2)C(=O)N1c1cc(Cl)cc(Cl)c1 95170287 CXUMIBXWRDNFEW-AWEZNQCLSA-N 351.189 3.521 0 40 FHAB O=C(O)[C@@H]1c2ccc(Br)cc2CCN1c1ccc(F)cc1 95917897 PDTBJKDQODBMDJ-HNNXBMFYSA-N 350.187 3.777 0 40 FHAB Cc1noc(C)c1[C@@H](C)C(=O)Nc1cccc(CN2CCSCC2)c1 95957907 POXKYVUFGZVSSQ-CYBMUJFWSA-N 359.495 3.582 0 40 FHAB Cc1ccc(CN2CCC[C@]3(CCC(=O)N3Cc3ccncc3)CC2)o1 96047535 WMBBMMOPPDCJAY-NRFANRHFSA-N 353.466 3.530 0 40 FHAB CO[C@@](C)(CNC(=O)C1(c2ccccc2)CCOCC1)c1ccccc1F 96123510 FWMFVLDGFJMACZ-NRFANRHFSA-N 371.452 3.552 0 40 FHAB COc1ccc(CC(=O)N[C@H]2CCCc3c2[nH]c2ccccc32)cc1OC 96231933 PXZPNKXRCBYFNL-SFHVURJKSA-N 364.445 3.921 0 40 FHAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)C3CC3)CC2)n1 100148279 XOPHXKCUQWYKAB-IYBDPMFKSA-N 350.466 3.647 0 40 FHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)COc1ccccc1C 219357866 AXALPCUXHXZOFU-LPHOPBHVSA-N 357.450 3.745 0 40 FHAB CC1(C)C(=O)N(CCC(=O)NCCCc2cccc(F)c2)c2ccccc21 223274582 DQOVWRVZHRDNSQ-UHFFFAOYSA-N 368.452 3.589 0 40 FHAB COc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1cc(C)cc(C)c1 224191081 MVKYWEFHIOTTMJ-LJQANCHMSA-N 369.461 3.800 0 40 FHAB O=C(NCCOc1ccccc1Cl)C1(c2ccccc2)CCOCC1 224328547 BZWRFFJXERGVOP-UHFFFAOYSA-N 359.853 3.583 0 40 FHAB Cc1ccc(-c2noc(CN(C)C(=O)CCc3ccc(F)cc3)n2)cc1 224481748 ZTRBEHKPRGPJEE-UHFFFAOYSA-N 353.397 3.775 0 40 FHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C(=O)N(C)C)cc1 224572021 WWELYVIHZVEDHQ-OAHLLOKOSA-N 366.461 3.673 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C 224660386 NBZDCBZVAHFOEJ-LJQANCHMSA-N 366.505 3.789 0 40 FHAB COc1cc(C)c(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)cc1C 224666343 IUAPZEPYOORKCT-UHFFFAOYSA-N 373.396 3.809 0 40 FHAB Cc1cccc(NC(=S)NC2CCN(Cc3ccccn3)CC2)c1Cl 225231697 ZBDBROGPWYGGBB-UHFFFAOYSA-N 374.941 3.994 0 40 FHAB COc1cccc2cc(C(=O)N[C@@H](C)Cc3ccc4c(c3)CCO4)oc12 225598899 JBSYCHXWCOSEHZ-ZDUSSCGKSA-N 351.402 3.737 0 40 FHAB CCOc1ccccc1NC(=S)NCc1nc(-c2cccc(C)c2)no1 225814486 CTTOAVBDMWUMDZ-UHFFFAOYSA-N 368.462 3.930 0 40 FHAB COc1ccc(NC(=S)NC2(c3ccncc3)CCCC2)c(OC)c1 225848960 HMPDBHOOFMPPSH-UHFFFAOYSA-N 357.479 3.855 0 40 FHAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)Nc1nc3c(s1)C[C@@H](C)CC3)[C@@H]2C(=O)O 226563813 QMRSLUGJUPOTJO-MJWVCXPYSA-N 374.506 3.900 0 40 FHAB Cc1cc(C(=O)N2CC3(C[C@@H](OCc4ccccn4)CS3)C2)sc1C 251976361 DQJIPLQZEMJIKE-MRXNPFEDSA-N 374.531 3.677 0 40 FHAB COc1cccc(N2C(=O)S/C(=C\c3cnc4ccccc4n3)C2=O)c1 256055877 XIKHPPLNTHNDTR-MFOYZWKCSA-N 363.398 3.879 0 40 FHAB c1cc(-c2ccc3nc([C@H]4CCN(Cc5ccsc5)C4)nn3c2)ccn1 306140704 VBIBSMKMTHWLGK-SFHVURJKSA-N 361.474 3.842 0 40 FHAB O=C(COc1ccc(-c2ccccc2)cc1)N1CC[C@H](OCC2CC2)C1 390829887 HIMHQMOFRHXMBH-NRFANRHFSA-N 351.446 3.760 0 40 FHAB CCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1C 408611538 XJILJQURGZKWEM-UHFFFAOYSA-N 366.870 3.589 0 40 FHAB C[C@@H](c1ccccc1)N(C)C(=O)CN1CC=C(c2c[nH]c3ncccc23)CC1 533342509 LZYWVJNCSXJILP-KRWDZBQOSA-N 374.488 3.872 0 40 FHAB COCc1nc(N[C@@H](C)CN(C)C)c2c(-c3ccccc3)csc2n1 561434164 CSJRKMWCTDVCIW-ZDUSSCGKSA-N 356.495 3.867 0 40 FHAB CN(C)c1ccc(-c2ncn3c2[C@@H](NC(=O)c2cccs2)CCC3)cc1 585110682 QCPVGFSOWMXCOL-INIZCTEOSA-N 366.490 3.943 0 40 FHAB O=C(O)C[C@H](NC(=O)c1ocnc1C1CC1)c1ccc2ccccc2c1 630193122 YWJIDDXOOQJWKF-INIZCTEOSA-N 350.374 3.651 0 40 FHAB Cc1sc(C(=O)O)cc1CN1CCC[C@@H]1c1nccc(C(F)(F)F)n1 656761308 NUZTZAHBNPOUSI-LLVKDONJSA-N 371.384 3.901 0 40 FHAB COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)CCC(=O)O)c1 668314623 UJSXETMEIXUBGM-RXVVDRJESA-N 353.418 3.617 0 40 FHAB Cc1cccc(Oc2cnc(-c3nnc(C)n3-c3ccc(O)nc3)cn2)c1C 1569989217 CMDRSQQWAVLUCP-UHFFFAOYSA-N 374.404 3.542 0 40 FHAB COc1cccc([C@@]2(C)CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)C2)c1 1640533033 HWXLAYMHAGOQRE-QFIPXVFZSA-N 361.445 3.889 0 40 FHAB Cc1cc(C)c2c(c1)cc(C)c1nnc(SCC(=O)N3CCCCC3)n12 929735 ZOAXRNDQUQDBMV-UHFFFAOYSA-N 368.506 3.912 0 40 FHAB COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)c1ccco1 933350 OJIWQOKZZYAZAV-UHFFFAOYSA-N 372.402 3.863 0 40 FHAB CCOc1ccccc1NC1=C(Cl)C(=O)N(Cc2ccccc2)C1=O 945436 ZPLBBQLWYAVKCT-UHFFFAOYSA-N 356.809 3.517 0 40 FHAB O=C(NC(=S)Nc1ccc(Br)cc1)c1cccnc1Cl 2157142 SZQFGQODEJJSLP-UHFFFAOYSA-N 370.659 3.624 0 40 FHAB O=C(COc1ccccc1)Nc1ccccc1C(=O)NCc1ccccc1 2215057 YMMKQEZOTGEYEJ-UHFFFAOYSA-N 360.413 3.634 0 40 FHAB O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc(NC[C@@H]3CCCO3)ncc21 2444665 WFCGOGAFMYDIAT-ZFWWWQNUSA-N 357.841 3.634 0 40 FHAB Cc1cccn2c(=O)c3cc(C(=O)NCCC4=CCCCC4)sc3nc12 2722925 ZIYXPNVTPKGDER-UHFFFAOYSA-N 367.474 3.838 0 40 FHAB CN(CCOc1ccccc1)S(=O)(=O)c1cccc(Cl)c1Cl 3324494 KLLVFXBEJAHVHG-UHFFFAOYSA-N 360.262 3.693 0 40 FHAB C[C@H]1CCc2c(C(=O)Nc3ccc(N4CCOCC4)cc3)csc2C1 3325127 KEEDCRXZCNQKQQ-AWEZNQCLSA-N 356.491 3.962 0 40 FHAB O=C(COC(=O)c1ccc(Cl)nc1)Nc1cccc(C(F)(F)F)c1 3470760 VPZMEZOGNVGMRA-UHFFFAOYSA-N 358.703 3.549 0 40 FHAB CCSc1nnc(NC(=O)[C@H](C)Sc2nc3ccccc3[nH]2)s1 4033940 SIFMUPYJPSJCCQ-QMMMGPOBSA-N 365.509 3.646 0 40 FHAB Cc1ccc(Cl)c(OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 4901650 UCZWVESABMPTBY-UHFFFAOYSA-N 360.841 3.503 0 40 FHAB CSc1nc2nc(C)c(CCC(=O)Nc3cc(C)cc(C)c3)c(C)n2n1 5278885 ULXUNCMUJYUFFK-UHFFFAOYSA-N 369.494 3.651 0 40 FHAB Cc1ccc(-c2nnn(Cc3ccc(C(=O)Nc4ccccc4)cc3)n2)cc1 5491800 GHSWPPBUQSLRTI-UHFFFAOYSA-N 369.428 3.949 0 40 FHAB Cc1cccc(C)c1NC(=O)COc1ccc(Br)cc1C=O 5871671 JESLVCLOKGJZSW-UHFFFAOYSA-N 362.223 3.896 0 40 FHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2ncnc3sccc23)cc1 6115300 PTCAAAFBNUCBGG-JTQLQIEISA-N 372.475 3.769 0 40 FHAB O=C(Nc1cc2ncccc2c2cccnc12)N(CCO)C1=CCCC=C1 6548284 NFHNIWMQKIILEQ-UHFFFAOYSA-N 360.417 3.843 0 40 FHAB O=C(Cn1c(=O)oc2ccc(Cl)cc21)Nc1ccccc1C(F)(F)F 6759333 LFBHLNPBBYDHRM-UHFFFAOYSA-N 370.714 3.905 0 40 FHAB COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1Br 6919651 VBBWHAWKUHPJOK-UHFFFAOYSA-N 370.268 3.875 0 40 FHAB CC(=O)Nc1ccc(N[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 7221675 XVDKFJLBPAGPCT-KCXBLQSVSA-N 355.482 3.530 0 40 FHAB CCCCCNCc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 7261315 CXPPZAOOVODXBS-UHFFFAOYSA-N 359.422 3.800 0 40 FHAB COc1ccccc1NC(=O)[C@@H](C)N(C)Cc1c(F)cccc1Cl 7266637 URMHMSHILRGGRK-GFCCVEGCSA-N 350.821 3.947 0 40 FHAB CN(C)c1ccc(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 7379717 SZKTXOWBBBSMKO-UHFFFAOYSA-N 366.339 3.567 0 40 FHAB COc1cc(OC)c(NS(=O)(=O)c2cccc(Cl)c2)cc1Cl 7381486 UBOJBVNGXZMOED-UHFFFAOYSA-N 362.234 3.811 0 40 FHAB CCOc1cc(CNn2cnnc2)cc(Cl)c1OCc1ccccc1 7602482 BJMRUJUEHFUMDO-UHFFFAOYSA-N 358.829 3.653 0 40 FHAB COc1cc(NC(=O)c2sc(-c3ccccn3)nc2C)cc(OC)c1 8122732 PUAQNVFVQLVHIR-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB C[C@@H]1CCCCN1Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 8745266 ROIPHKMPAYOVBG-LLVKDONJSA-N 350.875 3.818 0 40 FHAB Cc1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c(O)c1 8754817 ZVUIGMHMXGEXFC-CSKARUKUSA-N 364.445 3.591 0 40 FHAB Cc1csc(=O)n1CCCC(=O)Nc1nc2c(F)cc(F)cc2s1 8919655 BLEHXDCCXNWMEM-UHFFFAOYSA-N 369.418 3.525 0 40 FHAB CSc1cccc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H]2CCCN32)c1 9322954 YWZYSTRTFGXFEM-KRWDZBQOSA-N 353.447 3.582 0 40 FHAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2c[nH]c3ccccc23)n2ncnc2N1 9592540 BFEAPOOZFBHPCJ-IBGZPJMESA-N 370.416 3.687 0 40 FHAB Cc1cccc(C)c1NC(=O)CNC(=O)N[C@H](c1ccccc1)C1CC1 10257502 CZYHWTRYBCZFMT-HXUWFJFHSA-N 351.450 3.692 0 40 FHAB CO[C@H]1CCC[C@@H](C(=O)N2CCC(c3nc4ccccc4cc3N)CC2)C1 12087777 XNJXIBGTHGHUMH-MSOLQXFVSA-N 367.493 3.728 0 40 FHAB O=C(c1cccnc1)C1CCN(C(=O)Cc2ccc(F)cc2Cl)CC1 12143299 VKDYJOJBGCKBNV-UHFFFAOYSA-N 360.816 3.538 0 40 FHAB CC[C@@H](Oc1ccc(Oc2ccccn2)cc1)C(=O)Nc1cc(C)on1 12645760 SLBQTNBDSJCXJN-MRXNPFEDSA-N 353.378 3.966 0 40 FHAB CCN(CC)[C@@H](CNC(=O)c1cccnc1S)c1ccccc1Cl 12748287 JUHMRDJUEDDYJT-INIZCTEOSA-N 363.914 3.837 0 40 FHAB CN(CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)Cc1ccccc1 12823273 FQIRBYHHLUEQCT-UHFFFAOYSA-N 360.461 3.820 0 40 FHAB CCN(CC)C(=O)[C@H](Sc1nnc(NC2CC2)s1)c1ccccc1 12909945 HAWLUYVQSAKOEO-CQSZACIVSA-N 362.524 3.814 0 40 FHAB CN(Cc1ccco1)C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 12911868 BSOBEUQCACPMQS-UHFFFAOYSA-N 372.428 3.859 0 40 FHAB CCOc1ccc(C(=O)N[C@H](C)c2nc(-c3ccccc3C)no2)cc1 13495343 DABKPNQUXMUCSV-CQSZACIVSA-N 351.406 3.935 0 40 FHAB O=C(COc1cccc(F)c1)Nc1ccc(N2CCCC2=O)c(Cl)c1 14162176 ASPLXPCNOXWIAN-UHFFFAOYSA-N 362.788 3.623 0 40 FHAB CC(C)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 14180222 PMCIXLRKQHEKHZ-UHFFFAOYSA-N 360.417 3.878 0 40 FHAB CN(C)C(=O)[C@H]1CCCN1c1ncnc2scc(-c3ccc(F)cc3)c12 14197785 QHXBPXOCYMMHAF-OAHLLOKOSA-N 370.453 3.554 0 40 FHAB O=C(Nc1nc(-c2ccc(Br)o2)ns1)c1ccccc1F 15859953 OCEJPDGQJZOFSJ-UHFFFAOYSA-N 368.187 3.952 0 40 FHAB Cc1ccc(-c2nsc(NC(=O)c3cc4ccccc4oc3=O)n2)s1 15860001 NUVHIRADYNLLKB-UHFFFAOYSA-N 369.427 3.934 0 40 FHAB O=C(c1ccccc1F)N1CCC(c2nnc(-c3ccsc3)o2)CC1 19347495 LMBSPKSZMBZXMI-UHFFFAOYSA-N 357.410 3.957 0 40 FHAB COc1cccc([C@@H]2CCCN2Cc2sc(N3CCOCC3)nc2C)c1 19715762 DGPKSPGLGILZIY-SFHVURJKSA-N 373.522 3.634 0 40 FHAB Cc1csc(=O)n1CCCC(=O)N1CC[C@H](C)Sc2ccccc21 22257457 SFBSKUCEOSPJCB-AWEZNQCLSA-N 362.520 3.916 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1C 23016506 HGQCTRKXBOXKTA-UHFFFAOYSA-N 365.389 3.932 0 40 FHAB CC[C@@H](Oc1ccccc1)C(=O)NCc1ccc(CN2CCCC2)cc1 24114405 QMVMGIKTHPGYLJ-OAQYLSRUSA-N 352.478 3.756 0 40 FHAB CC1CCN(CCCNC(=O)CCc2ncc(-c3ccccc3)o2)CC1 28070351 QYSLQFCRPRUXHR-UHFFFAOYSA-N 355.482 3.512 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)NCc1ccnc(N2CCCC2)c1 29319695 VUTIOXSQFONPEG-QGZVFWFLSA-N 352.482 3.502 0 40 FHAB COc1ccc(CCN(C)C(=O)c2sccc2-n2cccc2)cc1OC 30781895 MUFLMBXJLRUPEV-UHFFFAOYSA-N 370.474 3.871 0 40 FHAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(C(=O)NC2CC2)cc1 32869235 AWTPLWVWSWRDRH-UHFFFAOYSA-N 362.351 3.779 0 40 FHAB C[C@H](OC(=O)c1cc(Cl)ccc1F)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 36429282 GJPPEWPBTXSVHM-MEQWQQMJSA-N 355.837 3.965 0 40 FHAB CSc1cccc(NC(=O)CSc2nc3nc(C)c(C)c(C)n3n2)c1 40119162 DWADUQTXHOQGAS-UHFFFAOYSA-N 373.507 3.502 0 40 FHAB Cc1ccc(CSCC(=O)NCc2nc(-c3ccccc3)no2)cc1 43995728 FHKIQJQEZXDVMV-UHFFFAOYSA-N 353.447 3.595 0 40 FHAB CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)O)[C@H]1c1ccc(OC)cc1 49466934 RXFHEIFPGNOEKV-MJXNMMHHSA-N 353.418 3.859 0 40 FHAB COc1ccccc1C1(C(=O)N(Cc2ccsc2)C2CC2)CCOCC1 49521864 DJWYAZSMVHSVPV-UHFFFAOYSA-N 371.502 3.996 0 40 FHAB CN(CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)c1ccc(F)cc1 52190672 QBUVILPPFICIFZ-KRWDZBQOSA-N 367.380 3.826 0 40 FHAB CCOc1ccc(CCC2CCN(C(=O)CCc3cnn(C)c3)CC2)cc1 54832503 RGJVLJRANSFLQW-UHFFFAOYSA-N 369.509 3.623 0 40 FHAB COc1ccc(-n2ccc(C(=O)N[C@@H]3CCSc4ccccc43)n2)cc1 55129291 GAMOHOORRZVNRQ-QGZVFWFLSA-N 365.458 3.848 0 40 FHAB O=C(CC[C@@H]1CCCO1)Nc1cccc(OCC(=O)Nc2ccccc2)c1 55615964 DIFJSGNUMHPRSN-SFHVURJKSA-N 368.433 3.602 0 40 FHAB C[C@H](c1nnc(-c2ccccc2)o1)N1CCN(c2ccccc2F)CC1 57352369 UJWOFOZSIMKBDW-OAHLLOKOSA-N 352.413 3.759 0 40 FHAB OCCc1ccc(OCc2ccccc2F)c(-n2nc3ccccc3n2)c1 58077050 KKSVZNBDHHDCHF-UHFFFAOYSA-N 363.392 3.673 0 40 FHAB Cc1nn2c(=O)cc(CNc3ccc4nc(C(C)C)sc4c3)nc2s1 58202393 HQGYWMUJBSTWHY-UHFFFAOYSA-N 371.491 3.805 0 40 FHAB Fc1cc(CN2CCN(CCc3cccs3)CC2)c2ncccc2c1 64351665 ZSQLHRNGYCHKOU-UHFFFAOYSA-N 355.482 3.796 0 40 FHAB COCc1ccc(CNC(=O)Nc2nc(-c3ccccc3)ns2)cc1 65789473 GNIBINIPCDHKKY-UHFFFAOYSA-N 354.435 3.673 0 40 FHAB CCc1nc(CN(C)C(=O)NCc2cccnc2OC2CCCC2)cs1 69927442 UTCCGZHOWULCGQ-UHFFFAOYSA-N 374.510 3.764 0 40 FHAB CCCNC(=O)c1c(NC(=O)c2c(C)noc2C)sc2c1CCCC2 71195089 QTISHXRNRTXQMO-UHFFFAOYSA-N 361.467 3.624 0 40 FHAB Cc1ccc(Oc2nccnc2C2CCN(C(=O)c3ccncc3)CC2)cc1 72362126 NYPQMHSYRNYJKB-UHFFFAOYSA-N 374.444 3.992 0 40 FHAB COc1ccc(C(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)c(OC)c1 78968714 MEZCHWXBTMGZER-RUZDIDTESA-N 373.352 3.584 0 40 FHAB COc1ccccc1NC(=O)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 95938991 NSALFDFTKVJHPW-CQSZACIVSA-N 363.458 3.558 0 40 FHAB O=C(Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1 95998705 YKNPSBYSVOSWNU-GOSISDBHSA-N 374.444 3.682 0 40 FHAB O=C(NC1(Cc2ccccc2)CCCC1)c1ccc(-c2ccco2)[nH]c1=O 96014040 BEUCEDZHKRRREU-UHFFFAOYSA-N 362.429 3.920 0 40 FHAB O=C(/C=C/c1ccco1)Nc1ccccc1Cc1nc(-c2cccnc2)no1 96102951 BDIRQOKKBVHTQW-MDZDMXLPSA-N 372.384 3.967 0 40 FHAB Cc1[nH]c(=O)c(C(=O)N(Cc2ccccn2)C2CCCCC2)c(C)c1C 97307429 NFXMVYORSWPRLP-UHFFFAOYSA-N 353.466 3.670 0 40 FHAB CCCCCOC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 100743383 UXYUROSYYKWISY-DFEHZGFQSA-N 355.434 3.569 0 40 FHAB CCNc1c(NC(=O)c2ccccc2OCC)c(=O)oc2ccccc12 101096132 NXLFSWZRGJYVNM-UHFFFAOYSA-N 352.390 3.876 0 40 FHAB Cc1ccc(-c2csc3ncnc(N4C[C@@H](C(N)=O)CC[C@H]4C)c23)cc1 105675197 UTXWMZYAWBERSW-HIFRSBDPSA-N 366.490 3.757 0 40 FHAB Cn1ccnc1[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 108992456 DPWBKXUOTPSOHD-IPMKNSEASA-N 367.399 3.708 0 40 FHAB Cc1ccc(CCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C 222834899 KIOHAKFFIIAQNU-UHFFFAOYSA-N 363.461 3.673 0 40 FHAB CC(C)C(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCc1ccccc1 222911726 LGPSLJNYJQBSBU-MRXNPFEDSA-N 356.441 3.515 0 40 FHAB COc1ccc(C(=O)NCCNc2ccnc3cc(Cl)ccc23)cc1 222948877 RUYHCJRMNKQVIM-UHFFFAOYSA-N 355.825 3.739 0 40 FHAB Cc1ccc(NC(=O)Nc2cnc(N3CCCC3)nc2N(C)C)c(Cl)c1 224143743 KPLOXCBSKCDQKH-UHFFFAOYSA-N 374.876 3.749 0 40 FHAB COc1ccc(OCCNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 224425658 AQQFHJLJEDPTIJ-QGZVFWFLSA-N 357.450 3.583 0 40 FHAB Cc1cccc(C)c1N(C)S(=O)(=O)c1ccc(Br)cc1 224723655 PLNCJKHZWNKVQX-UHFFFAOYSA-N 354.269 3.891 0 40 FHAB COc1ccc(S(=O)(=O)N(C)c2ccc(Br)c(C)c2)cc1 224860736 PJVPSUIOAFTCHD-UHFFFAOYSA-N 370.268 3.591 0 40 FHAB COc1ccc(Cl)cc1N(C)S(=O)(=O)c1ccc(SC)cc1 224982782 DKDGCXASEGTBEH-UHFFFAOYSA-N 357.884 3.896 0 40 FHAB Cn1c(=O)sc2cc(NC(=O)COc3cccc4ccccc34)ccc21 225046922 SVWKFVYROWGFGQ-UHFFFAOYSA-N 364.426 3.771 0 40 FHAB COc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)cc2)c(C)c1C 225196346 AORKZJHJBFSDCO-UHFFFAOYSA-N 363.479 3.578 0 40 FHAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCC2)cc1 225688467 SXBNWNDLHCJSKR-NRFANRHFSA-N 362.514 3.941 0 40 FHAB CCOC(=O)c1cc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)ccc1OCC 225807957 FKWIXBJRIMFRJB-XOBRGWDASA-N 363.454 3.796 0 40 FHAB COc1ccc2cc(S(=O)(=O)N[C@@H](C)c3ccccc3OC)ccc2c1 225875197 UKKZZLDTADUANF-AWEZNQCLSA-N 371.458 3.897 0 40 FHAB COc1ccc(CC(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1C 225880392 OTLSYYLWQFXQRK-UHFFFAOYSA-N 371.824 3.566 0 40 FHAB COc1ccc(NC(=O)C2(C)COC(c3ccccc3F)OC2)c(C)c1 225920401 BKZZBDHQFKEROG-UHFFFAOYSA-N 359.397 3.833 0 40 FHAB CCCCC(=O)NC(=S)Nc1cc(-c2ccc(C(=O)O)o2)ccc1C 226351032 CNZAPGZTQGNRQV-UHFFFAOYSA-N 360.435 3.956 0 40 FHAB C[C@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)NCc1ccccc1 227152417 IYFIIQOJXUTSFK-AWEZNQCLSA-N 355.825 3.609 0 40 FHAB Cc1ccc(O[C@H]2CCN(C(=O)c3ccccc3SC(F)F)C2)nc1 238915524 SMOWGPHTLGKXBK-ZDUSSCGKSA-N 364.417 3.998 0 40 FHAB O=C1CCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)[C@H](C(=O)O)N2Cc1ccccc1 254286892 PHRDQWTYDOYLKH-RYFAJOAYSA-N 363.457 3.867 0 40 FHAB c1ccc([C@@H]2N(Cc3nnnn3C3CCOCC3)CC23CCCCC3)cc1 514586053 DLWAKYMBHUAHKV-FQEVSTJZSA-N 367.497 3.532 0 40 FHAB COc1ccccc1C1(CNC(=O)N[C@@H]2CCCOc3ccccc32)CC1 522470220 LMMGOLJXKAUTSB-GOSISDBHSA-N 366.461 3.940 0 40 FHAB CN(CCc1ccc(Cl)cc1)C(=O)c1ccc2c(ccn2CCCN)c1 572957658 PGDKSBOCNLGTHN-UHFFFAOYSA-N 369.896 3.958 0 40 FHAB O=C(NCc1ccc(F)cc1)N1CCC(c2ccc3cccnc3n2)CC1 654347466 DNGZHXPMNMLDMM-UHFFFAOYSA-N 364.424 3.858 0 40 FHAB C[C@H]1CN(C(=O)c2ccc(CN[C@H](C)C(C)(C)C(F)F)cc2)C[C@@H](C)O1 657855551 GQQGNEQSUUBBPW-QLFBSQMISA-N 368.468 3.705 0 40 FHAB c1ccc2c(c1)NCCC[C@@H]2NCC1CCN(Cc2ccncc2)CC1 658163744 AKPWVBMKNZVPRE-QFIPXVFZSA-N 350.510 3.830 0 40 FHAB C[C@@H]1CN(C(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)C[C@@]1(C)CO 666773401 IDFLSRFTWDEGEC-YVLXSGLVSA-N 364.795 3.603 0 40 FHAB C[C@H]1CCCCN1CCC1CCN(C(=O)NCCc2ccc(O)cc2)CC1 675711065 TWIKCKMUSUFALZ-SFHVURJKSA-N 373.541 3.621 0 40 FHAB O=C1C[C@@]2(CCCN(CCc3ccccc3)CC2)Nc2ccccc2CN1 2037978217 IVLCOIWHFNZDHO-QHCPKHFHSA-N 363.505 3.586 0 40 FHAB CCN(CC)CCN(Cc1cccs1)c1nccc(C(F)(F)F)n1 79098987 IKDIUEKLTGFCBJ-UHFFFAOYSA-N 358.433 3.905 0 40 FHAB C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)c1ccccc1 2940092 DLCCUHZGZIOGSR-APWZRJJASA-N 352.434 3.665 0 40 FHAB Cc1cc(C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)c2c(C)noc2n1 55720621 OEUQRWMOAJQMLA-UHFFFAOYSA-N 372.375 3.970 0 40 FHAB Cc1ccc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 3221402 OQQMZPLCEFEEIB-UHFFFAOYSA-N 354.387 3.749 0 40 FHAB CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C/OC)C(=O)OC 4804529 NMLUOJBSAYAYEM-CPHCKLLXSA-N 368.477 3.817 0 40 FHAB biogenic,in-vitro O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1[C@@H]1CCCNCC1 6117750 WRYCMIFVXDQIKN-QGZVFWFLSA-N 367.880 3.955 0 40 FHAB world COc1cc(CNC(=S)Nc2ccc(C)c(C)c2)cc(OC)c1OC 6627646 JDLOMQHYOBLFSS-UHFFFAOYSA-N 360.479 3.816 0 40 FHAB O=C(Nc1ccc(F)cc1)c1nscc1NCc1ccc2c(c1)OCO2 35326101 LFCZGKMTJOZORL-UHFFFAOYSA-N 371.393 3.875 0 40 FHAB O=C(Cc1ccc(Br)cc1)OCc1ccc(-n2cccn2)cc1 7254201 LWMNCYYEYZLZJT-UHFFFAOYSA-N 371.234 3.921 0 40 FHAB Cc1ccc(C(=O)CCC(=O)NCc2noc(-c3ccccc3C)n2)s1 95429398 QXRWBPNXGLZXOJ-UHFFFAOYSA-N 369.446 3.694 0 40 FHAB CCc1ccccc1NC(=O)CNC(=O)CCC(=O)c1ccc(C)c(C)c1 8024621 AGYWLPDZWHMEJR-UHFFFAOYSA-N 366.461 3.584 0 40 FHAB COCCN(Cc1cccs1)C(=O)Cc1coc2cc(OC)ccc12 8748762 IRRWQDJBGGTBKB-UHFFFAOYSA-N 359.447 3.721 0 40 FHAB CC[C@H](C)n1c(SCC(=O)Nc2cc(C)on2)nnc1-c1ccccc1 58201917 GTLKZVTVQKIYQX-LBPRGKRZSA-N 371.466 3.943 0 40 FHAB CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 28037573 JYVIEIHCMUQMBJ-UHFFFAOYSA-N 370.261 3.690 0 40 FHAB CCc1nc2sc3c(N4CCOCC4)ncnc3c2c2c1CCCC2 2275561 YAJJZHRGGMZDCV-UHFFFAOYSA-N 354.479 3.517 0 40 FHAB C[C@@H]1CCc2c(sc3ncn4nc(-c5cc(C6CC6)n[nH]5)nc4c23)C1 24614200 VWVBDXOWMDDKDH-SECBINFHSA-N 350.451 3.731 0 40 FHAB Cc1cc(NC(=O)c2cc(O)nc3ccccc23)ccc1N1CCCC1=O 10957345 IPKFMDSKCQOHEE-UHFFFAOYSA-N 361.401 3.628 0 40 FHAB CC(=O)c1cc2c(cc1NC(=O)c1nc(Cl)ccc1Cl)OCO2 28909607 UDNWJBHTEHVIIO-UHFFFAOYSA-N 353.161 3.572 0 40 FHAB O=C1C[C@]2(CC[C@H]3[C@@H](C(=O)NC4CCCC4)[C@@H]32)Oc2ccc(Cl)cc21 100123845 UESWYPBEAXCAOH-QHMHNIQBSA-N 359.853 3.759 0 40 FHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCOc1ccccc1Cl 46173917 JEYUTSUAKWFYRA-UHFFFAOYSA-N 369.852 3.953 0 40 FHAB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1Cc1ncc(C(C)(C)C)o1 60269224 YNKALABSQCPVTN-AWEZNQCLSA-N 351.491 3.851 0 40 FHAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 2617417 OIHDVTFQSKVGCA-NSHDSACASA-N 367.323 3.898 0 40 FHAB Cc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)o1 28227957 NFCOUPKHSNORFX-VXGBXAGGSA-N 369.387 3.970 0 40 FHAB COc1cc(CN2[C@H]3CC[C@H]2c2cnc(C)nc2C3)ccc1OC(C)C 100189517 KNBBZRNIMQATMF-LPHOPBHVSA-N 353.466 3.843 0 40 FHAB Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)Nc1ccc2c(c1)CCC2 28235676 KNOBQCOAMOLMTP-NSHDSACASA-N 351.372 3.974 0 40 FHAB CCc1cccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3OC)CC2=O)c1 12911309 GITOIXBLTGQVMA-AWEZNQCLSA-N 372.852 3.903 0 40 FHAB CC1(C)CSC2=[N+]1C[C@](O)(c1ccc(Cl)cc1)N2c1ccccc1 26506505 IYUADUSYCAJDLM-IBGZPJMESA-N 359.902 3.899 0 40 FHAB Fc1cccc([C@@H]2C[C@@H](c3cccc(Br)c3)Nc3nnnn32)c1 13123567 IHHHDYSSLPNVGO-GJZGRUSLSA-N 374.217 3.721 0 40 FHAB CCOc1ccc([C@@H]2C[C@@H](c3cccc(OC)c3)Nc3ncnn32)cc1 13132069 IBYVMGIKGXBCNA-OALUTQOASA-N 350.422 3.832 0 40 FHAB Cc1cc(C)c2[nH]c(CSc3nnc(-c4ccco4)n3C)cc(=O)c2c1 21098837 DSIIXTWKUHZZPM-UHFFFAOYSA-N 366.446 3.826 0 40 FHAB CCOc1cc(CN[C@H](C)CC)ccc1Oc1nnnn1-c1ccccc1 13717724 QVEWZGYKZJPEJJ-OAHLLOKOSA-N 367.453 3.741 0 40 FHAB Cc1cccn2cc(-c3cccc(S(=O)(=O)N4CCCCCC4)c3)nc12 6163838 XGXZKQVZFJHOFH-UHFFFAOYSA-N 369.490 3.874 0 40 FHAB CCSc1nnc(NC(=O)Cc2c(C)nc3ccccc3c2C)s1 5199174 UKWDVQASTLPVJS-UHFFFAOYSA-N 358.492 3.996 0 40 FHAB CCN1CCN(c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2C)CC1 9368799 HPRZOFZDUXPXHI-UHFFFAOYSA-N 359.420 3.667 0 40 FHAB Cc1noc(C)c1[C@H](C)C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 65523736 FCUFSPFNXZVISZ-LBPRGKRZSA-N 364.405 3.681 0 40 FHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCOc1ccc(Cl)cc1 14245223 MPASSRFGNFIXEI-UHFFFAOYSA-N 372.856 3.783 0 40 FHAB CCCCCOc1ccc(C(=O)OCC(=O)NCc2ccccc2)cc1 5861062 BLHKBJFYBQZNAK-UHFFFAOYSA-N 355.434 3.729 0 40 FHAB O=C(COC(=O)c1cc2ccccc2cc1O)NCc1cccc(Cl)c1 5841017 MCCPJHXHUMLGRM-UHFFFAOYSA-N 369.804 3.672 0 40 FHAB O=C(CN(Cc1ccco1)Cc1cccs1)N1CCc2ccccc21 7291907 DEFICWUTLCMDRN-UHFFFAOYSA-N 352.459 3.933 0 40 FHAB O=C1c2ccccc2N[C@H](c2cccnc2)N1Cc1ccc2c(c1)OCO2 7885230 DQHVILSPELQVDO-FQEVSTJZSA-N 359.385 3.577 0 40 FHAB CCOc1ccc(NC(=O)CSc2nnc(C3CC3)n2C2CC2)cc1 7851481 JPUJXMGWKHOPKC-UHFFFAOYSA-N 358.467 3.620 0 40 FHAB C[C@@H]1Oc2ccc(NC(=O)CCc3nc4ccccc4s3)cc2NC1=O 8014337 OJBGGRZDQFAMJD-NSHDSACASA-N 367.430 3.587 0 40 FHAB O=C(OCCOc1ccc(Cl)cc1Br)c1cccnc1 16694874 FRVJBDJXMKUNOH-UHFFFAOYSA-N 356.603 3.733 0 40 FHAB CCCn1c(SCC(=O)Nc2cccc(F)c2)nc2ccccc2c1=O 8195088 NFRKCFHXBXFMMZ-UHFFFAOYSA-N 371.437 3.676 0 40 FHAB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccnc2Cl)c(C)n1C(C)C 16911173 LTYKLJSVYZJLES-ZDUSSCGKSA-N 363.845 3.918 0 40 FHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@@]2(C)CC2(Cl)Cl)c(C)c1 17962287 LPZIUVMYZVIUOE-MRXNPFEDSA-N 357.281 3.593 0 40 FHAB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccccc4)cc3)C(=O)[C@@H]2C1 18241120 QHQUZFGBAVHGEG-RTBURBONSA-N 360.413 3.785 0 40 FHAB Cc1cccc(NC(=O)CSCC(=O)Nc2cccc3ncccc23)c1 8761904 LOYMIUONAYFGBJ-UHFFFAOYSA-N 365.458 3.854 0 40 FHAB C[C@H](NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1ccco1 8709167 KCWJSLQZIJPWKI-XPTSAGLGSA-N 350.827 3.613 0 40 FHAB Cc1c(Cl)ccc(S(=O)(=O)Nc2ccccc2C(=O)O)c1Cl 9002242 XSUGYFVTBQTTAU-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB COc1cccnc1N(C)S(=O)(=O)c1cc(Cl)c(C)c(Cl)c1 95975523 KLNMHFZVCXNROT-UHFFFAOYSA-N 361.250 3.531 0 40 FHAB Cc1ccc(-c2ccc3c([C@H]4CN(Cc5ccoc5)CCO4)nnn3c2)cc1 306129519 IFSCZSQNMMLYKD-OAQYLSRUSA-N 374.444 3.871 0 40 FHAB CCN(CC)CC(=O)N1N=C(c2ccsc2)C[C@H]1c1cccc(F)c1 95115880 LZWIJVREIPKQQE-SFHVURJKSA-N 359.470 3.907 0 40 FHAB CCOc1ccccc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2)C1=O 408937459 QRRHOTAOPGFNPZ-WJDWOHSUSA-N 356.809 3.832 0 40 FHAB COc1ccc(NC(=O)C2(NC(=O)c3cccs3)CC2)c2ccccc12 225929806 BUTFHHCNNSCFTI-UHFFFAOYSA-N 366.442 3.811 0 40 FHAB COCC1(C)CCN(Cc2csc(-c3ccc(C(=O)O)cc3)n2)CC1 516872501 CZOBXFIUECIPEC-UHFFFAOYSA-N 360.479 3.757 0 40 FHAB C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 31166872 ZICGJBPBLVXOBM-NHKYFHRNSA-N 372.505 3.524 0 40 FHAB biogenic,in-vitro CCn1c(=O)n2nc(Cc3ccccc3)nc2c2c(CC(C)C)csc21 32096769 ZVLJSUMVBXXLEV-UHFFFAOYSA-N 366.490 3.915 0 40 FHAB COc1ccc(Cl)cc1NC(=O)NC[C@H](c1cccs1)N(C)C 38629326 AXHYHAIDXRDCOY-CYBMUJFWSA-N 353.875 3.835 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(F)ccc3n1C)CC2 72402867 WKOZERKBHLREDK-UHFFFAOYSA-N 368.408 3.533 0 40 FHAB O=C(COc1nc(Cc2ccc(F)cc2)no1)c1ccc2c(c1)CCC2 78672204 WEURPTAAIMJSCU-UHFFFAOYSA-N 352.365 3.550 0 40 FHAB Cc1ccc(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)c(C)c1 32911965 VSPOUNKITFSBFT-UHFFFAOYSA-N 351.372 3.949 0 40 FHAB CC1CCN([C@@H](CNC(=O)c2ccccc2Br)C(C)C)CC1 32914904 WUWJONBMRVNKJU-KRWDZBQOSA-N 367.331 3.935 0 40 FHAB C[C@H]1Cc2cc(S(=O)(=O)Nc3ccc(Br)cc3)ccc2N1 78403913 CXJSKBVLOXFJIH-JTQLQIEISA-N 367.268 3.606 0 40 FHAB COc1cccc(-c2cccc([C@@H]3CCCN(Cc4nccn4C)C3)n2)c1 72350003 ZSEDXYPPIKOCIA-GOSISDBHSA-N 362.477 3.870 0 40 FHAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCCN1CCCCCC1 44843909 LUZAKEMNPZUGAP-QGZVFWFLSA-N 352.906 3.880 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H](c2csc(Nc3cnccn3)n2)C1 44029580 KQRJYFZJHMPBCU-LBPRGKRZSA-N 361.471 3.791 0 40 FHAB CCCOCc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1OC 224415699 CLUCWEQGEMDDGQ-UHFFFAOYSA-N 357.406 3.645 0 40 FHAB CCc1ccccc1NC(=O)CCNC(=O)c1ccc2nc(Cl)oc2c1 225979179 CBLFMXSTDGZPIW-UHFFFAOYSA-N 371.824 3.802 0 40 FHAB CCOc1ccc(Nc2cc(C)nc(NC(=S)NCC(C)C)n2)cc1 225199101 QWWBNQOFPMPTFD-UHFFFAOYSA-N 359.499 3.870 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc(Cl)cc1 224131050 DWCYMOBCGTWNPC-LBPRGKRZSA-N 354.233 3.956 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=S)NCCSC(C)(C)C)c1 225351521 LQEJHNPMAUYYJH-UHFFFAOYSA-N 360.932 3.945 0 40 FHAB CC(C)c1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1 223324871 PDVNUJSWTKISKW-UHFFFAOYSA-N 366.826 3.699 0 40 FHAB COc1ccc(CCC(=O)Nc2nnc(SC(C)C)s2)cc1OC 225566950 YBFOIWFNQBZKTM-UHFFFAOYSA-N 367.496 3.627 0 40 FHAB COc1ccc(Cl)cc1NC(=O)Cn1ccc(=O)c2c(C)cc(C)cc21 225756032 IKOMSJIMLLOHLJ-UHFFFAOYSA-N 370.836 3.919 0 40 FHAB O=C(C[C@H]1CC2(CCN(CC3CC3)CC2)c2ccccc21)NC1CCC1 96052788 RYGIFRYXAFCIPU-SFHVURJKSA-N 352.522 3.976 0 40 FHAB CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CCN(c2ncccn2)C1 257211377 BYQHRJNSQFTQQF-CQSZACIVSA-N 366.490 3.823 0 40 FHAB NC(=O)c1ccc(CN(C(=O)Nc2nc3ccsc3s2)C2CC2)cc1 605212571 SOTXZIACVIPSRD-UHFFFAOYSA-N 372.475 3.653 0 40 FHAB O=C(N[C@H](CO)c1cccc(Cl)c1Cl)c1cnc(CC2CC2)s1 1615611241 YTHLILGBRCIHJX-GFCCVEGCSA-N 371.289 3.866 0 40 FHAB Cc1noc([C@@H](C)N(C)c2nc(-c3ccccn3)nc3sccc23)n1 1651986761 LENARUXNPAOCAD-SNVBAGLBSA-N 352.423 3.642 0 40 FHAB COc1ccc(-c2cc(CN3CC[C@H]4[C@@H](CCCN4C4CC4)C3)on2)cc1 676712552 OOVXSWSPUPHUTR-JTSKRJEESA-N 367.493 3.799 0 40 FHAB CC(=O)c1ccc2c(c1)CCN(c1nc(-c3ccccn3)nc(C)c1C)CC2 677307639 FTJKLQPNGIALBL-UHFFFAOYSA-N 372.472 3.963 0 40 FHAB CN1C[C@H](COCC2CC2)C2(CCN(Cc3cccc4[nH]ccc34)CC2)C1 585104444 ZZZGGABTDVOQHX-HXUWFJFHSA-N 367.537 3.738 0 40 FHAB O=C(NCc1nccnc1-c1cccs1)c1cc(-c2cccs2)on1 828228714 DQQHPZGHGVZBLV-UHFFFAOYSA-N 368.443 3.852 0 40 FHAB CCc1nc(NC(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)sc1C 654009882 NKZWDDAJFRWSQY-ONGXEEELSA-N 351.394 3.635 0 40 FHAB COC(=O)c1ccccc1[C@@H]1CN=N[C@]12Cc1c(ccc3c1CCC3)C2=O 5537989 BEVZCKSDDOQXIV-SIKLNZKXSA-N 360.413 3.689 0 40 FHAB COc1ccc(C(=O)N2C[C@H]3CCCN(Cc4ccc(C)s4)[C@H]3C2)cc1 12188439 AZFFHLVFHOHWEQ-XLIONFOSSA-N 370.518 3.802 0 40 FHAB CCc1c(C)noc1-c1cnc(-c2cccnc2)nc1-c1cnc(C)cn1 12233577 CUPGUEUIGANIIE-UHFFFAOYSA-N 358.405 3.830 0 40 FHAB COc1ccc([C@@H]2[C@@H](NC(=O)c3ccncc3)[C@@H]3CCCC[C@H]32)cc1OC 19561406 SOLBGGOJPPAPQI-JYWFKMLOSA-N 366.461 3.801 0 40 FHAB COc1ccccc1[C@H]1CCCN1CC(=O)Nc1ccnn1C1CCCC1 19659257 CAHBYPYPCRPHKK-GOSISDBHSA-N 368.481 3.782 0 40 FHAB CC(C)N1CCc2nc3sc(C(=O)NC4CCCCC4)c(N)c3cc2C1 19830725 YLKDYYNZHQGXRI-UHFFFAOYSA-N 372.538 3.708 0 40 FHAB Cc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1 8371579 VZIUNYDLMYRDAD-GXDHUFHOSA-N 354.793 3.623 0 40 FHAB Cc1c(NC(=S)NC(=O)C(C)(C)C)cccc1-c1ccc(C(=O)O)o1 226350627 CYHTYNKYUVXQKB-UHFFFAOYSA-N 360.435 3.812 0 40 FHAB CN(Cc1cccc(O)c1)C(=O)c1[nH]c2ccccc2c1Br 532862681 SEYDYCBTPYLWNH-UHFFFAOYSA-N 359.223 3.908 0 40 FHAB O=C(Cc1cccc(Cl)c1)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 536558273 VCRSIAQORKIEEF-HNNXBMFYSA-N 357.759 3.751 0 40 FHAB CC(=O)N[C@@H](CC(=O)OCc1ncc(-c2ccccc2)o1)c1ccccc1 4220111 BHAMHVCCAJBBTO-SFHVURJKSA-N 364.401 3.652 0 40 FHAB Cc1ccccc1-c1nnc(S[C@H](C(=O)N(C)C)c2ccccc2)o1 6847006 HWNRTOMLARGREQ-INIZCTEOSA-N 353.447 3.967 0 40 FHAB Cc1ccc(N(Cc2ccco2)C(=O)Cn2ncc(=O)c3ccccc32)cc1 21587778 WKFGEFLHIWNQEF-UHFFFAOYSA-N 373.412 3.531 0 40 FHAB CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Cn1nnc2ccccc21 1137081407 FWIIXEUDIUGFOZ-UHFFFAOYSA-N 371.444 3.542 0 40 FHAB Cc1ncnc(OCC2CCN(c3nc4ccc(F)cc4o3)CC2)c1C 1565522869 AOYOUKHVBWJZRR-UHFFFAOYSA-N 356.401 3.669 0 40 FHAB O=C(CSc1ccc(-c2cccnc2)nn1)NCc1ccccc1Cl 4392116 AVAZHASTQCCUBV-UHFFFAOYSA-N 370.865 3.601 0 40 FHAB O=C(Nc1ccccc1Cl)c1ccc(=O)n(Cc2cccc(F)c2)c1 15882920 GKPLXLYLPYFCIZ-UHFFFAOYSA-N 356.784 3.941 0 40 FHAB CCOc1ccc([C@H](c2sc3nc(CC)nn3c2O)N2CCCC2)cc1 22852995 PXENRKVJMAYZHY-MRXNPFEDSA-N 372.494 3.643 0 40 FHAB COc1cc(C(=O)N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)cc(OC)c1OC 1775972852 YVKJOBCLTCMNIY-IRXDYDNUSA-N 357.450 3.960 0 40 FHAB OC(c1cccc(I)c1)(C(F)(F)F)C(F)(F)F 1775955785 YPOTWQWXGRXHJW-UHFFFAOYSA-N 370.030 3.603 0 40 FHAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(C(C)=O)c1 38500771 CKDDARGQCSCOBZ-UHFFFAOYSA-N 367.380 3.865 0 40 FHAB O=C(NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1)Oc1ccccc1 44005304 JLZOSAKZVOKIIF-UHFFFAOYSA-N 371.412 3.858 0 40 FHAB Nc1ccc(C(=O)OCC(=O)N2c3ccccc3CCc3ccccc32)cc1 13578782 YAWKKOFPSZUCHM-UHFFFAOYSA-N 372.424 3.889 0 40 FHAB O=S(=O)(CCOc1ccccc1)Cc1csc(Cc2ccccc2)n1 40106424 HFIHXZYUGFNPTI-UHFFFAOYSA-N 373.499 3.728 0 40 FHAB O=S(=O)(Nc1ccc(Cl)c2cccnc12)c1c[nH]c2ncccc12 40158030 ZYVJXUJROACIPW-UHFFFAOYSA-N 358.810 3.565 0 40 FHAB O=C(c1cc(-c2cccs2)[nH]n1)N1CCN(c2ccccc2Cl)CC1 51315818 KMAZTXUUQJAZIY-UHFFFAOYSA-N 372.881 3.754 0 40 FHAB CC(=O)N[C@@H](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1ccc(C)cc1 21484228 VHESYTDOCKMJND-YWZLYKJASA-N 356.441 3.921 0 40 FHAB NC(=O)NCCCCCC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 32739512 JDYDSGLGWWJKCU-LJQANCHMSA-N 373.884 3.774 0 40 FHAB O=C(Nc1ccc(N2CCCC2)nc1)c1c[nH]c(=S)n1-c1ccccc1 22390792 VCMPWJXFEKFTLP-UHFFFAOYSA-N 365.462 3.782 0 40 FHAB CCCCn1c(SCC(=O)N2CCO[C@H]3CCCC[C@H]32)nc(C)c1C 53741237 IDAGPVDVVQJNAI-SJORKVTESA-N 365.543 3.562 0 40 FHAB CC(C)(C)OC(=O)NC1CCN(Cc2ccccc2Br)CC1 47539902 JIMBPXAIJPCZGA-UHFFFAOYSA-N 369.303 3.938 0 40 FHAB C[C@H](NC(=O)NCc1ccnc(N(C)C)c1)c1ccc2c(c1)CCCC2 47612164 HUVGWWPTVPAJMB-HNNXBMFYSA-N 352.482 3.587 0 40 FHAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccnc3)C(=O)[C@H]12 714841 CIEPKKMXGPILDI-ISQHLFTMSA-N 366.420 3.652 0 40 FHAB CC[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 780496 MISCDEJNRXJCNI-LLVKDONJSA-N 357.281 3.760 0 40 FHAB O=C(NCCCSc1ccccc1)c1ccccc1Cn1cccn1 78869709 BDHDNOAYGWJVCQ-UHFFFAOYSA-N 351.475 3.844 0 40 FHAB O=C(NC1CCCC1)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 2457604 NBJMHOONAVUPCL-AWEZNQCLSA-N 350.724 3.569 0 40 FHAB Cc1cc(C(=O)O[C@H](C)C(=O)N2CCc3ccccc32)c2ccccc2n1 3544849 WKQAZEYOWARCQN-OAHLLOKOSA-N 360.413 3.678 0 40 FHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 6271191 PLGMBHBMVZLISG-UHFFFAOYSA-N 366.870 3.623 0 40 FHAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2c(C)cccc2C(C)C)n1 6982417 NSDQVBNITSFIQO-UHFFFAOYSA-N 359.495 3.885 0 40 FHAB O=C(COc1c(-c2ccco2)oc2ccccc2c1=O)NC1CCCCC1 1792180 LBCXIDVXAZQIOB-UHFFFAOYSA-N 367.401 3.881 0 40 FHAB CCOC(=O)c1sc(NC(=O)CN(C)[C@@H](C)c2ccccc2)cc1C 10128948 QZKMWAYUJHODCT-AWEZNQCLSA-N 360.479 3.865 0 40 FHAB CC[C@@H](C(=O)N1CCC(NC(=O)C2CCCCC2)CC1)c1ccccc1 58224988 IRLDINONMXIMGN-HXUWFJFHSA-N 356.510 3.868 0 40 FHAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(-n2cccn2)nc1 12527045 QUZNUUBSOJKWCP-ZDUSSCGKSA-N 356.813 3.635 0 40 FHAB CCCCN(CC)c1ccc(C(=O)N[C@H]2CCCc3c2cnn3C)cc1 58434534 YSJYOZYQARPZIN-IBGZPJMESA-N 354.498 3.854 0 40 FHAB O=c1[nH]c2ccccc2n1CCCSc1ccc2c(c1)OCCCO2 10603389 UOTAXAVICLCERV-UHFFFAOYSA-N 356.447 3.673 0 40 FHAB O=C(NCc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 2373003 CXBPSKVGMYSGNO-UHFFFAOYSA-N 357.624 3.902 0 40 FHAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)cc1 59251255 KYNDUVZLYXEBFA-OAHLLOKOSA-N 362.429 3.932 0 40 FHAB O=C(Nc1nc2ccc(F)cc2s1)c1cc(=O)c2cc(F)ccc2o1 11614447 BJRNTVZOMXVHHW-UHFFFAOYSA-N 358.325 3.933 0 40 FHAB CCOc1cc2c(cc1NS(=O)(=O)c1cc(C)ccc1C)O[C@H](C)C2 12560604 SHJPSSRRRMEEBB-CQSZACIVSA-N 361.463 3.826 0 40 FHAB C[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1CC2)C1=CCN(C)CC1 95469129 IFEOENAXJJTITD-CQSZACIVSA-N 352.503 3.894 0 40 FHAB Cc1cc(C(=O)N2CCCCCC2)ccc1NS(=O)(=O)c1ccccc1 10113000 WZFJEAYWFQXPJT-UHFFFAOYSA-N 372.490 3.812 0 40 FHAB CCOc1ccc([C@@H](C)NC(=O)c2c(OC)cccc2OC)cc1OCC 10542786 UWTRMFSRRWTOMA-CQSZACIVSA-N 373.449 3.992 0 40 FHAB CCN(CCNC[C@@H](O)COc1ccccc1C(C)C)c1cccc(C)c1 3349427 PMGIEVRUTMTUOI-OAQYLSRUSA-N 370.537 3.974 0 40 FHAB CCSc1nnc(NC(=O)c2cc(=O)c3cc(CC)ccc3o2)s1 9194572 PVJYEMYGQWQTJJ-UHFFFAOYSA-N 361.448 3.571 0 40 FHAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 408584007 LDSJZQHRWSPWPG-UHFFFAOYSA-N 361.467 3.573 0 40 FHAB Cc1c(-c2ccccc2)oc2c(C(=O)N3CCO[C@H](C)C3)cccc2c1=O 9853772 BDTAHRLDEINFKT-CQSZACIVSA-N 363.413 3.629 0 40 FHAB Cc1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 3525770 MHELQJMOFKLOTC-UHFFFAOYSA-N 360.413 3.827 0 40 FHAB CCn1ncc(-c2nn3c(-c4cccc(Cl)c4F)nnc3s2)c1C 49548789 HQODCXJUGIXLGK-UHFFFAOYSA-N 362.821 3.837 0 40 FHAB O=C(CSc1nnnn1CCc1cccs1)c1ccc(Cl)cc1 9314747 OMSZMEFBNLJNDB-UHFFFAOYSA-N 364.883 3.606 0 40 FHAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3cn4ccccc4n3)c2)C1 13807201 NMJSVLKCZCJSDG-IYBDPMFKSA-N 369.490 3.668 0 40 FHAB COc1ccccc1NCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 4456905 LFQBMRLWKXHMLC-MHWRWJLKSA-N 358.394 3.940 0 40 FHAB COc1cc2c(cc1NC(=O)CN1C[C@H](C)O[C@H](C)C1)oc1ccccc12 14095840 DFCVFLLJQOCRLA-OKILXGFUSA-N 368.433 3.642 0 40 FHAB CCCCCC[C@H](C)n1c(-c2no[nH]c2=NC(C)=O)nc2ccccc21 408980482 WVWGOXCQWNZZOH-ZDUSSCGKSA-N 355.442 3.998 0 40 FHAB CCN(CC)Cc1ccc(CNC(=O)c2cc(=O)c3ccccc3o2)cc1 14188760 KOSAGPDKYPBGBM-UHFFFAOYSA-N 364.445 3.565 0 40 FHAB Cc1cc(C)cc(-c2nnc(SCc3nnnn3-c3ccccc3)o2)c1 14122507 XGWUXTXPMBHQSW-UHFFFAOYSA-N 364.434 3.621 0 40 FHAB CC(C)c1ccccc1NC(=O)CN1C(=O)N[C@](C)(C2CCCCC2)C1=O 14197959 ZMGJBTQEIKKVAR-OAQYLSRUSA-N 371.481 3.639 0 40 FHAB C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)oc2ccccc23)CC(C)(C)O1 65716964 OPBPJACMAXGOPZ-CYBMUJFWSA-N 366.417 3.550 0 40 FHAB Cc1ccc(C(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)s1 27933373 CTBQIHDGIKJNEO-UHFFFAOYSA-N 357.401 3.969 0 40 FHAB COc1cccc(N2CCN(CC(=O)c3cc(C)c(C)cc3C)CC2)c1 67206356 OAGMHMMNOYWTQN-UHFFFAOYSA-N 352.478 3.625 0 40 FHAB COc1ccc2cc3c(nc2c1)N(C(=O)COc1ccc(Cl)cc1)CC3 15842145 XBPLDYHVHUHVKA-UHFFFAOYSA-N 368.820 3.865 0 40 FHAB CCOc1ccc(/C=C(\Cl)c2nc3cc(C(=O)O)ccc3c(=O)[nH]2)cc1 7502943 NINUBDBCCCGINF-DHDCSXOGSA-N 370.792 3.757 0 40 FHAB Cc1cc(C)nc(Sc2ccc(NC(=O)c3c(C)nn(C)c3C)cc2)n1 25670066 GNKWVDBOKKQFIZ-UHFFFAOYSA-N 367.478 3.847 0 40 FHAB O=C(NCc1ccccn1)c1cn(Cc2ccccc2)nc1-c1cccs1 8073186 QXWNGMKFYSWIKU-UHFFFAOYSA-N 374.469 3.985 0 40 FHAB Cc1cccc(C)c1OCC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 8160342 RPSCLLMQDZXBBU-LJQANCHMSA-N 355.434 3.879 0 40 FHAB Cc1ccccc1N1C[C@H](C(=O)Nc2ccccc2Br)CC1=O 8217139 ZEKWXCOLVFQISB-CYBMUJFWSA-N 373.250 3.749 0 40 FHAB CC(C)Cn1cc(C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 70010125 PXOITWABCGHDHB-UHFFFAOYSA-N 350.418 3.956 0 40 FHAB C[C@H]1CC(=O)c2c(OCC(=O)N3CCCc4ccccc43)ccc(F)c21 8325422 MYMWXJUXRVBOIV-ZDUSSCGKSA-N 353.393 3.874 0 40 FHAB CC(=O)Nc1ccccc1OCC(=O)N(C)[C@H]1CCCc2ccccc21 8449597 JKUANUSWZLXBRC-IBGZPJMESA-N 352.434 3.560 0 40 FHAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)NCCc1cccs1 17909564 GZWUEKNOXASKPP-UHFFFAOYSA-N 365.454 3.717 0 40 FHAB COc1ccc(CN(C)Cn2nc(-c3ccccc3)oc2=S)c(OC)c1 22311437 JAFHUOQDNCKCFR-UHFFFAOYSA-N 371.462 3.979 0 40 FHAB CO[C@@H](C(=O)Nc1ccc(CCN2CCSCC2)cc1)c1ccccc1 72048891 LRRMQTWAHHSTTD-HXUWFJFHSA-N 370.518 3.604 0 40 FHAB CC(C)Oc1ccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1 9709511 AINJFFIAQTZWDC-UHFFFAOYSA-N 363.421 3.715 0 40 FHAB C[C@@H]1CN(c2ccc(NC(=O)c3cccnc3Cl)cc2F)C[C@@H](C)O1 95351285 PBXDIGFWZPUHDN-VXGBXAGGSA-N 363.820 3.740 0 40 FHAB Cc1csc(N(C)C(=O)CSc2ccc(-c3ccccc3)nn2)n1 84669029 POKKSIROKFEGGD-UHFFFAOYSA-N 356.476 3.664 0 40 FHAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CCc2sccc2[C@H]1C 84718197 DMNSNOFFJLJWFC-KUHUBIRLSA-N 368.502 3.730 0 40 FHAB O=C(Nc1c[nH]nc1[C@@H]1CCCN(C(=O)CC2CCCC2)C1)C1CCCC1 95998715 NVVACHFVQOTUMY-QGZVFWFLSA-N 372.513 3.825 0 40 FHAB O=C(Nc1ccc(N2CCC(O)CC2)cc1)[C@H]1C[C@@H]1c1ccc(F)cc1 89783290 VZRXIVFBSGUKAR-UXHICEINSA-N 354.425 3.529 0 40 FHAB O=C(NCCc1cnc(C2CC2)nc1)c1ccc(-c2ccccc2F)o1 89821248 RWUUAZUHEQAYSJ-UHFFFAOYSA-N 351.381 3.726 0 40 FHAB COC(=O)c1ccc(NC(=S)Nc2ccc3nc(C)c(C)nc3c2)cc1 408735178 LBQLVTMWCDSNCP-UHFFFAOYSA-N 366.446 3.842 0 40 FHAB CCc1ccc(N2C[C@H](C(=O)NC[C@H](C)c3ccccc3)CC2=O)cc1 408707993 MWWJTQLFJNQNNW-QFBILLFUSA-N 350.462 3.522 0 40 FHAB Cc1ccccc1NS(=O)(=O)c1cc2c(C)cc(=O)[nH]c2cc1Cl 217435620 MGCMDLNLEHJPHA-UHFFFAOYSA-N 362.838 3.599 0 40 FHAB CCCCC1CCC(c2cc(NC(=O)CS(=O)(=O)C(C)C)[nH]n2)CC1 72311476 OAYMZVWQFOUQRZ-UHFFFAOYSA-N 369.531 3.635 0 40 FHAB COc1ccc(-c2[nH]ncc2C(=O)N[C@H](C)c2ccccc2)cc1OC 72329284 RCFFYAMAOOFZOT-CYBMUJFWSA-N 351.406 3.585 0 40 FHAB COc1ccc([C@H](C)NC(=O)COc2ccc(Cl)c(C)c2)cc1OC 30858534 SNAYQPQYLWKUKX-ZDUSSCGKSA-N 363.841 3.922 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 42646667 QAEITBVBVORUPD-ZANVPECISA-N 362.779 3.992 0 40 FHAB CCOC(=O)c1ccc(NC(=S)NCCCOC(C)C)cc1Cl 225375901 XWBFAGGKGNJZMB-UHFFFAOYSA-N 358.891 3.618 0 40 FHAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)c1 224266266 KKQZBBXRWDGPAM-SRHFCSSBSA-N 364.445 3.664 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)Cn1ccc(=O)c2ccc(Cl)cc21 225737049 NYWLHNLGILSINK-HNNXBMFYSA-N 368.864 3.792 0 40 FHAB CCOC(=O)c1cccnc1SCC(=O)N[C@@H](CC)c1ccc(C)cc1 40141239 MZTWXOHQASFKLM-KRWDZBQOSA-N 372.490 3.926 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)NCc2ccc(CN3CCCC3)cc2)cc1C 44873119 DHZDBHOBYAQTMQ-LJQANCHMSA-N 366.505 3.983 0 40 FHAB O=C(NC[C@H](O)c1csc2ccccc12)c1nc2ccccc2s1 225692965 YSJBNWBASPQKNN-AWEZNQCLSA-N 354.456 3.974 0 40 FHAB CCCOC(C)(C)C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1 225727093 XRTBTIRJUPZAFG-QGZVFWFLSA-N 362.514 3.941 0 40 FHAB CCO[C@](C)(C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1)C1CC1 225835651 AWLDPRBPFDEVQD-RBZFPXEDSA-N 363.454 3.794 0 40 FHAB CCCC[C@](C)(OCCC)C(=O)Nc1cnc(OCCOC)c(C)c1 225907616 AFWSVBCFLKVRTA-IBGZPJMESA-N 352.475 3.729 0 40 FHAB Cc1ccccc1[C@H](NS(=O)(=O)c1c(C)noc1C)c1ccccc1 223099472 JDPMWXOQONMXFE-GOSISDBHSA-N 356.447 3.668 0 40 FHAB CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Br)cc1 224726214 CMLAKNKKXBDCBO-UHFFFAOYSA-N 370.268 3.673 0 40 FHAB O=C(c1c[nH]c2cc(F)ccc12)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 585082352 HMVUTLOTUQVQGG-WBVHZDCISA-N 352.409 3.545 0 40 FHAB COc1cccc2c1N(S(=O)(=O)c1ccc(C(F)F)cc1)CCC2 585082764 AZUCQXLRBLXQOW-UHFFFAOYSA-N 353.390 3.774 0 40 FHAB Cc1cc(CN(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)no1 26926884 XNRCOJUMTGCFOB-UHFFFAOYSA-N 365.433 3.671 0 40 FHAB CCN1C(=O)CC[C@@H](C(=O)N(C)Cc2ccccc2)[C@@H]1c1ccccc1F 257250664 JNLQSDKGPSEYGW-NQIIRXRSSA-N 368.452 3.784 0 40 FHAB COCCNC(=O)C1(Cc2ccccc2-c2cccs2)CCOCC1 257214810 CNMNMUWBZLRHQV-UHFFFAOYSA-N 359.491 3.517 0 40 FHAB CN1CCC[C@H](NC(=O)N[C@H]2[C@@H]3c4ccc(F)cc4C[C@H]32)c2ccccc21 665055408 NIOQNCRNMRWOII-KOUHRCEDSA-N 365.452 3.734 0 40 FHAB NC(=O)/C=C\c1ccc(-c2cc(Br)ccc2Br)o1 675030622 ASPPZGKRBVJVBA-UTCJRWHESA-N 371.028 3.970 0 40 FHAB OCc1ccc(-c2cccc([C@@H]3CCCN(C4CCOCC4)C3)n2)cc1 72350082 HKPZIUPXHPEANS-LJQANCHMSA-N 352.478 3.599 0 40 FHAB COc1cc(-c2nc3cnccn3c2NCc2ccc(F)cc2)ccc1O 12113768 ZGTDYIVQMXPICZ-UHFFFAOYSA-N 364.380 3.862 0 40 FHAB COc1ccc(CN(Cc2cn(C)c3ccccc23)C[C@H](C)O)cc1OC 12147959 OHPIADQBLHDXHG-INIZCTEOSA-N 368.477 3.579 0 40 FHAB COc1ccc(OC[C@@H]2[C@H]3CC[C@H](C3)N2C(=O)c2cnn(C(C)C)c2)cc1 12220637 KKSLSPNZYHPJLR-XAUMDUMWSA-N 369.465 3.545 0 40 FHAB CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1cccc(C)c1 12772498 MXUGEMMSCBLGAR-SFHVURJKSA-N 357.429 3.741 0 40 FHAB CNc1snc(C)c1C(=O)O[C@H](C)c1nnc(-c2cccs2)o1 16553395 RTLFPLYOWFMAIP-MRVPVSSYSA-N 350.425 3.523 0 40 FHAB COc1ccc(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)cn1 17296731 BKMLAUIPIVHDEL-UHFFFAOYSA-N 353.426 3.792 0 40 FHAB CC(=O)N[C@@H](CC(=O)Nc1cccc2ccc(C)nc12)c1ccc(F)cc1 19656296 GROULJAQQCJKTC-IBGZPJMESA-N 365.408 3.888 0 40 FHAB CCOc1nc(C)c(NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1 206719755 FSXLEPJOXOXPHB-UHFFFAOYSA-N 370.236 3.816 0 40 FHAB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccco3)C2=O)c1 6473037 GHBYGODKEJQFHQ-OQLLNIDSSA-N 356.403 3.571 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccccc2)cc1-c1ccc(C(=O)O)o1 226353316 JAUUISPAEOEKKR-UHFFFAOYSA-N 357.387 3.754 0 40 FHAB CO[C@@H](COc1ccc2c(c1)OC1(CCCCC1)CC2=O)[C@H]1CCOC1 663962127 KVNPYNFMWHLFTO-YWZLYKJASA-N 360.450 3.785 0 40 FHAB COC(=O)[C@@H]1CC12CCN(C(=O)Cc1ccc(SC(C)C)cc1)CC2 575415610 GOVYEVVBXOMIJP-KRWDZBQOSA-N 361.507 3.531 0 40 FHAB O=c1c2ccccc2ncn1CC1CCN(Cc2ccccc2Cl)CC1 1889035588 DJBLUVKYLOYUSE-UHFFFAOYSA-N 367.880 3.962 0 40 FHAB Cc1cccc(NC(=O)Cc2cc(=O)[nH]c(SCc3ccccc3)n2)c1 23242164 VFOUWIVMXYXOJK-UHFFFAOYSA-N 365.458 3.552 0 40 FHAB CCOc1ccc(NC(=O)CSc2nnc(C)n2-c2ccccc2)cc1 897353 CVNHELZCMHFHPP-UHFFFAOYSA-N 368.462 3.705 0 40 FHAB COc1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2C)cc1Cl 2713192 QDYJSTHZLDIPLJ-UHFFFAOYSA-N 356.813 3.798 0 40 FHAB Cc1ncc(CO)c2c1Oc1nc(-c3ccccc3F)[nH]c(=S)c1C2 4193565 FMTLQXOQXHOESL-UHFFFAOYSA-N 355.394 3.838 0 40 FHAB Cc1ccc(NC2=Nn3c(COc4ccccc4)nnc3SC2)cc1 15081222 HXKZKLJEKGGGIW-UHFFFAOYSA-N 351.435 3.545 0 40 FHAB COc1cccc2cc(S(=O)(=O)c3ccc(C)c(Cl)c3)c(=O)oc12 15828678 YAGUHPCPLZQBNL-UHFFFAOYSA-N 364.806 3.596 0 40 FHAB O=C(NCCCN1CCO[C@H](c2ccccc2)C1)c1cccc(Cl)c1 17178574 HFJDSFRCAVXRSI-IBGZPJMESA-N 358.869 3.533 0 40 FHAB Cn1c(=O)c2sccc2n2c(SCc3ccccc3Cl)nnc12 35529191 QALUGDCJSPVNAD-UHFFFAOYSA-N 362.867 3.588 0 40 FHAB O=C(N[C@@H](c1ccsc1)c1cccs1)[C@H]1COc2ccccc2O1 575414989 WFXWCWMPIMQWQX-WBVHZDCISA-N 357.456 3.855 0 40 FHAB Cc1nc2ccccc2n1[C@H]1C[C@H]2CN(C)C[C@H]2C[C@@H]1Oc1ccccn1 2332242838 UPTKUQPWEDYYKV-JWWGGVBKSA-N 362.477 3.700 0 40 FHAB O=C(OCC(=O)c1cc(F)ccc1F)c1ccc(N2CCCCCC2)nc1 31512164 GSTZLQPPIPMVOM-UHFFFAOYSA-N 374.387 3.780 0 40 FHAB COc1ccccc1NC(=O)[C@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 20725339 WKMCXCGMVQMEIK-MRXNPFEDSA-N 362.389 3.730 0 40 FHAB O=C(Nc1ccc(-c2ccccc2)cc1)[C@H](Cc1ccccc1)n1cnnn1 32768071 RWTZVIYVVBOKFR-NRFANRHFSA-N 369.428 3.763 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H](C)Nc1ccc2c(c1)OCCCO2 32797261 JEGCJMLRJKRJCF-CQSZACIVSA-N 356.422 3.686 0 40 FHAB CCC(CC)NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 32945338 DAWAIVBCNBWWMK-CYBMUJFWSA-N 356.466 3.754 0 40 FHAB Cc1nc2cc(NC(=O)c3ccccc3OC[C@@H]3CCCO3)ccc2o1 22460295 PGUVJTLKXBTCOK-HNNXBMFYSA-N 352.390 3.946 0 40 FHAB COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1Cl)C2=O 797311 KMLAGNQNJIPHRB-UHFFFAOYSA-N 350.157 3.581 0 40 FHAB COc1cc(OC)c(OC)cc1CNCc1cccc(Br)c1 22793068 FTZQRQNPBKUNJO-UHFFFAOYSA-N 366.255 3.765 0 40 FHAB C[C@@H](C(=O)N(C)c1ccccc1)N1CCN(Cc2cccc(Cl)c2)CC1 22819537 OVHAHXQASJIQTN-KRWDZBQOSA-N 371.912 3.509 0 40 FHAB O=C(Nc1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1)c1ccccc1 878093 CQLFWLKSOWRERD-UHFFFAOYSA-N 374.396 3.962 0 40 FHAB Cc1cc2cc3c(cc2nc1SCC(=O)N1CCC[C@@H](C)C1)OCO3 930019 IQVUOIGZMXLNRN-GFCCVEGCSA-N 358.463 3.623 0 40 FHAB CC(C)n1cnnc1SCc1nnc(COc2ccc(Cl)cc2)o1 24833538 DHPIUMZAJMGJBK-UHFFFAOYSA-N 365.846 3.767 0 40 FHAB COC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 1426201 YHHHOBKLKLLWGY-OAQYLSRUSA-N 359.425 3.849 0 40 FHAB CCOc1ccc2nc(N3CCN(C(=O)c4cccs4)CC3)sc2c1 4583431 WOXPFFOYOMJTLD-UHFFFAOYSA-N 373.503 3.719 0 40 FHAB O=C1[C@@H]2[C@H]3c4ccccc4[C@H]([C@H]4C=CC=C[C@@H]34)[C@H]2C(=O)N1c1nccs1 4724697 PLTCVYQUFQAGBO-UERKIIJRSA-N 360.438 3.502 0 40 FHAB CCCN1C(=O)S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O 6629574 WWYBVNXWSIAGON-RVDMUPIBSA-N 357.391 3.832 0 40 FHAB COC(=O)CCSc1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1 7138402 JIHRMWZLMNZECF-UHFFFAOYSA-N 368.458 3.658 0 40 FHAB CCc1cc(C(=O)N(CC)Cc2nc3ccccc3c(=O)[nH]2)sc1C 7810964 UGOCXHFSVABJEE-UHFFFAOYSA-N 355.463 3.518 0 40 FHAB COc1ccccc1N1C[C@@H](C(=O)Oc2ccc3ccccc3c2)CC1=O 7929002 OZHBXEUCFOMGNL-KRWDZBQOSA-N 361.397 3.807 0 40 FHAB CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(Br)cc1 10543018 ZRQJMLKEEMXPRL-MRXNPFEDSA-N 353.304 3.834 0 40 FHAB COc1ccc(C(=O)C[C@H](SCCO)c2ccc(F)cc2)cc1OC 1799295 NFBRLOJTQUARHF-IBGZPJMESA-N 364.438 3.883 0 40 FHAB COc1cc(NC(=O)CNc2ccc(C(F)(F)F)cc2)cc(OC)c1 8723435 TVYOVAFIOJXROV-UHFFFAOYSA-N 354.328 3.773 0 40 FHAB COc1ccc(-c2nc(CC(=O)NCc3cccc(OC)c3)cs2)cc1 8774529 VDJVHWVSUNDJPC-UHFFFAOYSA-N 368.458 3.686 0 40 FHAB COc1ccc(-n2nnnc2C2(Nc3ccccc3)CCCC2)cc1OC 35622603 JCEPVPAGPMYSCS-UHFFFAOYSA-N 365.437 3.561 0 40 FHAB CC(=O)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 52412360 AUCNPTZXEIWGFW-CQSZACIVSA-N 357.793 3.501 0 40 FHAB Cc1noc([C@@H]2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)C2)n1 58201122 HROMMRFVACPPBJ-LLVKDONJSA-N 354.332 3.808 0 40 FHAB NC(=O)CCn1c(S[C@@H]2CCCc3ccccc32)nnc1-c1ccco1 58218436 KTCQGGNWRSRNJI-MRXNPFEDSA-N 368.462 3.583 0 40 FHAB Cc1ccc(OCc2nn3c(-c4cccc(O)c4)nnc3s2)cc1C 10311689 FYGWQGZAOJJIDH-UHFFFAOYSA-N 352.419 3.754 0 40 FHAB C[C@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1cc(F)ccc1F 10842206 AOMBEYMPLDBWIK-NSHDSACASA-N 359.376 3.752 0 40 FHAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N[C@H](C)c1ccccc1 2375026 YYXJFGVZHAYZCA-OAHLLOKOSA-N 365.437 3.629 0 40 FHAB O=C(CSCCOc1ccccc1)Nc1ccc2c(c1)OCCCO2 36770122 QLUYMHQGHAPXNF-UHFFFAOYSA-N 359.447 3.599 0 40 FHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1noc(-c2ccccc2C)n1 21806692 HOKOQYZYDCVHFZ-OAHLLOKOSA-N 355.369 3.980 0 40 FHAB O=C(O)CCCCCCC(=O)c1ccccc1I 2579882 LSHDCMSLUHNBHF-UHFFFAOYSA-N 360.191 3.899 0 40 FHAB CC(C)(C)c1ccc2cc(C(=O)N3CCN(c4nccs4)CC3)[nH]c2c1 29783118 OMDSYBIFWHBGLF-UHFFFAOYSA-N 368.506 3.884 0 40 FHAB O=C(COc1ccc2ccccc2c1Br)Nc1ncccc1O 29758238 BFUQBJXANBENKQ-UHFFFAOYSA-N 373.206 3.720 0 40 FHAB Fc1c(F)c(F)c(-c2nc3cc(-n4cnnc4)ccc3o2)c(F)c1F 57326790 AYNCLHDONBKGFH-UHFFFAOYSA-N 352.222 3.771 0 40 FHAB COc1ccccc1[C@H](NC(=O)Nc1ccc(C)cc1)c1nccn1C 12531641 SIDZCAHNWNITDI-SFHVURJKSA-N 350.422 3.648 0 40 FHAB CCOc1cn(-c2ccccc2)nc1C(=O)N1c2ccccc2OC[C@H]1C 72533397 DYMGTVPVEYEQFA-OAHLLOKOSA-N 363.417 3.699 0 40 FHAB CC(C)[C@@H]1CCc2ccccc2N1C(=O)c1ccc2c(c1)C(=O)N(C)C2=O 84456606 SEJVHLHQGKUKPK-SFHVURJKSA-N 362.429 3.530 0 40 FHAB O=C(CCC(=O)c1ccc(F)cc1)OCC(=O)c1ccc(Cl)s1 3327898 YFUSGQBUNJEGRU-UHFFFAOYSA-N 354.786 3.930 0 40 FHAB CCCn1/c(=N/C(=O)Cc2coc3cc(OC)ccc23)[nH]c2ccccc21 3396533 ZHIZWOHYCZXRBT-UHFFFAOYSA-N 363.417 3.804 0 40 FHAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc2ccccc12 3300770 GKLNBOWUGHLYSZ-UHFFFAOYSA-N 359.834 3.906 0 40 FHAB CC(C)CNC(=O)COC(=O)CSc1cccc2cccc(Cl)c12 3394547 SHXIGEPFTJFMCA-UHFFFAOYSA-N 365.882 3.901 0 40 FHAB C[C@H](c1cccc(O)c1)N(C)C(=O)c1ccc(CNC(=O)OC(C)(C)C)o1 84656213 GYGYRFZANGDIFQ-CYBMUJFWSA-N 374.437 3.843 0 40 FHAB O=C(CNC(=O)c1ccc(F)cc1)Nc1ccccc1Oc1ccccc1 12938749 SLOVRQPAYKVEOP-UHFFFAOYSA-N 364.376 3.987 0 40 FHAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(NC(=O)C2CC2)s1 12972393 LUSVZMPXBMORCA-UHFFFAOYSA-N 353.447 3.550 0 40 FHAB COCc1nc([C@@H]2CCCCCN2C(=O)Nc2c(F)cccc2F)no1 95999014 PGUNKWXJGSBMEF-ZDUSSCGKSA-N 366.368 3.643 0 40 FHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccccn1)CC2 9217542 JIXNQAFBCKMKLX-QFIPXVFZSA-N 374.440 3.887 0 40 FHAB O=S(=O)(NCc1ccncc1)c1cc(Cl)c(Cl)cc1Cl 6240630 FBGBPQAUBKKRGH-UHFFFAOYSA-N 351.642 3.520 0 40 FHAB Fc1ccc(CN2CC[C@]3(C2)CN(Cc2cccnc2)c2cccnc23)cc1 306139170 SRGIBSMHBJCYNV-QHCPKHFHSA-N 374.463 3.780 0 40 FHAB COc1ccc2cc(CN(C)C(=O)Cc3cn4ccsc4n3)ccc2c1 9338326 KERMTOPWXXRKKQ-UHFFFAOYSA-N 365.458 3.759 0 40 FHAB C[C@H]1C(=O)N(Cc2ncc(-c3ccccc3)o2)C(=O)N1c1ccc(F)cc1 14197377 AXLPUMOEOHQSDG-ZDUSSCGKSA-N 365.364 3.838 0 40 FHAB COc1cc(OC)cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 9319333 ZXQRXHZMOTWBLI-GOSISDBHSA-N 351.406 3.557 0 40 FHAB CC(=O)NCCc1ccc(C(=O)CSc2nc3ccccc3o2)s1 14142312 AFDLNGQJEKXHGZ-UHFFFAOYSA-N 360.460 3.543 0 40 FHAB Cc1csc(NC(=O)CSc2nnc(C)n2C2CCCCC2)n1 6590819 OLMXTVPXTHOLBY-UHFFFAOYSA-N 351.501 3.587 0 40 FHAB COc1cccc(NC(=O)NCCSCc2ccnc(Cl)c2)c1 95462227 INSLPYMRWNODIF-UHFFFAOYSA-N 351.859 3.799 0 40 FHAB CCc1ccccc1NC(=O)CNC(=O)c1ccccc1C(F)(F)F 9455654 KDEQPUCPWZMKPX-UHFFFAOYSA-N 350.340 3.636 0 40 FHAB COc1cc2c(cc1NC(=O)[C@H](C)Sc1ncn[nH]1)oc1ccccc12 5737016 GMHNTQWDEDWKNM-JTQLQIEISA-N 368.418 3.832 0 40 FHAB Cc1ccc(NC(=O)N2C[C@@H](CO)CC[C@@H]2C)c(OCC(F)(F)F)c1 95431765 SRHNKIBEVDWKPO-STQMWFEESA-N 360.376 3.561 0 40 FHAB C[C@@H]1C[C@H](CC(=O)NCCc2n[nH]c(=S)n2C2CC2)CC(C)(C)C1 67078389 IHXIGXIVPARNNU-CHWSQXEVSA-N 350.532 3.787 0 40 FHAB COc1ccccc1-n1c(-c2ccccc2)cnc1S[C@@H]1CCOC1=O 6972997 QNSCHQOCBHKAQU-GOSISDBHSA-N 366.442 3.956 0 40 FHAB Cc1cccc(-n2c(C)nnc2S[C@H](C)C(=O)N2CCCCCC2)c1 7184644 SENMIOIGKONWCE-OAHLLOKOSA-N 358.511 3.767 0 40 FHAB CCc1nnc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)s1 7278755 MCYSOJMFTCNNSE-UHFFFAOYSA-N 358.448 3.667 0 40 FHAB CC(C)COc1ccc(C(=O)OCC(=O)Nc2cc(C(C)C)no2)cc1 9535802 WOSOJBHCALMAMD-UHFFFAOYSA-N 360.410 3.628 0 40 FHAB Cc1csc(S[C@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)n1 7817158 QFABUXVMSXCPGF-LLVKDONJSA-N 361.492 3.696 0 40 FHAB COc1cc(NC(=O)C(Cl)(Cl)Cl)ccc1-c1ccc(CO)o1 20136982 XJYMLCNXIVZUNO-UHFFFAOYSA-N 364.612 3.756 0 40 FHAB C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C[C@H]2CC=CCC2)CC1 97032696 YKHCHROYKLOODG-MSOLQXFVSA-N 352.482 3.772 0 40 FHAB O=C(C[C@@H]1CCOc2ccccc21)n1ccc(=NCC(F)(F)F)cc1 89857791 WWAKHQMVUZPWKO-ZDUSSCGKSA-N 350.340 3.548 0 40 FHAB CC[C@H](C)[C@@H](NC(=O)c1ccc(-n2ccnn2)cc1)c1nc2ccccc2[nH]1 89942225 VCBIFZYMRPESQV-IFXJQAMLSA-N 374.448 3.661 0 40 FHAB Cc1ccc(CN2C(=O)N/C(=C/c3cccn3-c3ccc(O)cc3)C2=O)cc1 409240696 UXXNXPMRJVZHSV-DEDYPNTBSA-N 373.412 3.584 0 40 FHAB COc1c(Cl)cc(C(=O)NC(=S)NNc2ccccc2)cc1Cl 408624137 BFDDUYCIDHDGNB-UHFFFAOYSA-N 370.261 3.633 0 40 FHAB O=C(CCC(=O)c1cccs1)NCc1cccc(OCC(F)(F)F)c1 32930617 IYQRWAUQSTYZJC-UHFFFAOYSA-N 371.380 3.969 0 40 FHAB COC(=O)c1ccccc1NC(=O)C1CCN(c2ccc(C)cc2)CC1 219849731 JGLLIYHQHHROJK-UHFFFAOYSA-N 352.434 3.637 0 40 FHAB Cc1cccc(NC(=O)c2ccc(CSc3nnc(N)s3)cc2)c1 36646431 VNMOAPLALRIZFR-UHFFFAOYSA-N 356.476 3.973 0 40 FHAB CC1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(C(F)(F)F)cc1 71979904 KOIBDXRJDYMCSH-WKXXDYOBSA-N 371.355 3.537 0 40 FHAB Cc1sc2nc([C@H](C)N3C[C@@H]4CCC[C@H]4[C@@H]3C(=N)O)nc(O)c2c1C 329939751 FVVYZAYQDVVNLG-PQFRYHKHSA-N 360.483 3.711 0 40 FHAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1 223562218 SGOHAWKSSLZFIH-NRFANRHFSA-N 366.505 3.953 0 40 FHAB C[C@@H](NC(=O)CSCc1ccc(F)cc1)c1ccc2c(c1)OCCO2 222707455 MRYPMQPCCCBOJO-CYBMUJFWSA-N 361.438 3.708 0 40 FHAB COc1ccc(C[C@H](C)CNC(=O)c2ccc3c(c2)NC(=O)C3(C)C)cc1 570832699 MNJOMNBHIXXZSW-AWEZNQCLSA-N 366.461 3.534 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cc(N)ccc2N2CCC(C)CC2)cc1 226255926 MOKAXVMUBSYSFP-UHFFFAOYSA-N 359.495 3.614 0 40 FHAB CC1(C)CCc2nc(NC(=O)N3C[C@H](O)C[C@H]3c3ccccc3)sc2C1 333661349 XBHFFIYVBIDYRM-ZBFHGGJFSA-N 371.506 3.998 0 40 FHAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)C[C@@H]2Sc3ccccc3NC2=O)o1 195544820 XGWNNLZDOQYTCX-IAISJRAMSA-N 370.474 3.865 0 40 FHAB O=S(=O)(O)c1ccc2cc(Br)cc(Br)c2c1 98175557 ZIDYNIZPNRVUKC-UHFFFAOYSA-N 366.030 3.612 0 40 FHAB O=C(NCc1cccs1)[C@@H]1C[C@@]12CCN(C(=O)c1ccc(Cl)cc1)C2 96227658 SDAYMWRXZNYEKD-QFBILLFUSA-N 374.893 3.570 0 40 FHAB CS(=O)(=O)Nc1ccc(-c2csc(Cc3ccccc3F)n2)cc1 587923944 UFHKIZGUSNTNMU-UHFFFAOYSA-N 362.451 3.912 0 40 FHAB CN(Cc1cc(-c2ccco2)on1)[C@@H]1CCN(c2ccccc2Cl)C1=O 111270989 AUTXIVSEHRUPLM-MRXNPFEDSA-N 371.824 3.825 0 40 FHAB Cc1cc(CN2CCc3oc(C(=O)N4CCC[C@@H](C)C4)nc3C2)ccc1F 585112053 KMTXUSFCAAFNTR-CQSZACIVSA-N 371.456 3.553 0 40 FHAB COCC(=O)Nc1ccc(NC(=O)c2[nH]c3ccccc3c2Cl)cc1 56619728 VUCTWZAGYHZZJC-UHFFFAOYSA-N 357.797 3.659 0 40 FHAB CC(C)[C@@H](Sc1ncnc2ccsc12)C(=O)NCc1cccnc1 58197421 KWZTWUYRYWIPEQ-CQSZACIVSA-N 358.492 3.519 0 40 FHAB COc1cccc(C2(CNC(=O)N3CCC[C@H]3c3cccnc3)CC2)c1 638139512 UKQMUWBWYLLDLF-IBGZPJMESA-N 351.450 3.669 0 40 FHAB CSc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc1 5007458 PSKKYRMQVGWCPY-UKTHLTGXSA-N 365.476 3.787 0 40 FHAB O[C@@]1(c2ccccc2)CC(C(F)(F)F)=NN1C(=S)c1ccccc1 5772947 JRFSSCGONPSTLT-MRXNPFEDSA-N 350.365 3.831 0 40 FHAB NC(=O)c1nc[nH]c1-n1nc(-c2cccc3ccccc23)cc1C(F)(F)F 5889297 GIUJYPYFEAYYML-UHFFFAOYSA-N 371.322 3.533 0 40 FHAB O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)Nc1ccc2ccccc2c1 11136829 AUASNSDSJRTCAR-JWTNVVGKSA-N 365.429 3.717 0 40 FHAB CC(C)(C)c1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1 15899790 CFJWZMCEEJWNBI-UHFFFAOYSA-N 364.555 3.623 0 40 FHAB O=C(Nc1ccccc1CN1CCCCC1)c1cc(C(F)(F)F)[nH]n1 19349084 DJDBJBIUWUOKFU-UHFFFAOYSA-N 352.360 3.667 0 40 FHAB COc1ccc(Cc2cnc(NC(=O)Cn3ccnc3C(C)C)s2)cc1 19454439 JWYUWPRLILRTND-UHFFFAOYSA-N 370.478 3.701 0 40 FHAB CC1CCN([C@H](c2cccs2)c2nnnn2Cc2ccccc2)CC1 19496827 AAFOXJMQRPXLRQ-GOSISDBHSA-N 353.495 3.604 0 40 FHAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2cccnc2)N1c1cccc(F)c1 643913496 SQKQXEYEGXQXLY-OALUTQOASA-N 353.441 3.883 0 40 FHAB CC(C)Sc1ccc(CC(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)cc1 245053685 PGCAZBZSOFQJEL-QGZVFWFLSA-N 370.522 3.672 0 40 FHAB O=C(CCNC(=O)c1ccccc1Cl)NCC12CC3CC(CC(C3)C1)C2 5612714 UJDAVLKKGCKVPZ-UHFFFAOYSA-N 374.912 3.793 0 40 FHAB CCC(=O)N1CCC(Cc2cccc(-c3ccccc3)c2)(C(=O)NC)CC1 1848351733 FEZHYZVVMRJHRR-UHFFFAOYSA-N 364.489 3.661 0 40 FHAB COc1cc(OC)c(C(=O)Nc2ccc3nc(C)sc3c2)cc1OC 6852571 ZVHMGAKEMPCBEU-UHFFFAOYSA-N 358.419 3.883 0 40 FHAB C[C@@H](CC(=O)Nc1ccccc1)NC[C@@H](c1ccco1)N1CCCCC1 22800194 MWXLFVMZSCMTSG-HKUYNNGSSA-N 355.482 3.814 0 40 FHAB C[C@@]1(C(=O)n2cnc3ccccc32)CC1(Br)Br 1812280 BOUQHJHJRWZUKK-NSHDSACASA-N 358.033 3.573 0 40 FHAB CC1(C)C[C@@]2(C[C@@H](c3ccccc3)Oc3cc(O)ccc32)NC(=S)N1 8690938 LRBROLUCYAUOSF-FXAWDEMLSA-N 354.475 3.758 0 40 FHAB Cn1ccnc1COc1ccc(C(=O)NCCc2cccc(Cl)c2)cc1 40119414 PPUUXAIEVYAUEF-UHFFFAOYSA-N 369.852 3.625 0 40 FHAB CC(=O)N(CCC(C)C)c1nc(C)c(C(=O)Nc2nccs2)s1 40287032 KGBWXAGFAMXZIM-UHFFFAOYSA-N 352.485 3.559 0 40 FHAB Cc1cccc(CNC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)c1 32579077 ZMJULZHGGBQTRK-UHFFFAOYSA-N 365.433 3.864 0 40 FHAB Cc1cc(OCC(=O)Nc2ccc(C(C)C)cc2)nc(N2CCCCC2)n1 21360234 SXOHDISGCABKAX-UHFFFAOYSA-N 368.481 3.916 0 40 FHAB CCN(CC)C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 667726 BYAUEMQYQQUDSR-UHFFFAOYSA-N 374.506 3.895 0 40 FHAB CCc1oc2cc(OC(C)=O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 630523 MACREQOMZKTDOT-UHFFFAOYSA-N 366.369 3.719 0 40 FHAB biogenic O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1n[nH]c2ccccc12 22619605 MDJOFLMXDIHEMX-SFHVURJKSA-N 368.868 3.783 0 40 FHAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccnc3)C(=O)[C@@H]12 714842 CIEPKKMXGPILDI-CAZKKTPXSA-N 366.420 3.652 0 40 FHAB O=C(O)c1ccccc1C(=O)Nc1cccc(-c2cn3ccccc3n2)c1 1030873 YSMVBYOGPSVRNF-UHFFFAOYSA-N 357.369 3.952 0 40 FHAB CC(C)(CC(=O)O)CC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 55150727 AWBUDQIDZBSWGB-UHFFFAOYSA-N 360.454 3.532 0 40 FHAB Cc1ccc2cc(CN(C(=O)C3CC3)C3CCCC3)c3nnnn3c2c1C 1367380 CZMKHYHUHARZQY-UHFFFAOYSA-N 363.465 3.576 0 40 FHAB CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccc2c(c1)OCO2 1586167 VIKNTIKLEFPMAB-UHFFFAOYSA-N 366.373 3.892 0 40 FHAB CCN(CC)CCOC(=O)[C@](O)(c1ccccc1)c1c(C)ccc(C)c1C 1710958 HGBHTCJJGOMTMZ-QHCPKHFHSA-N 369.505 3.733 0 40 FHAB O=C(O)[C@@H](c1cc2ccccc2o1)N1CCN(c2ccc(F)cc2)CC1 2527381 RUBLTVUFSJSVDV-LJQANCHMSA-N 354.381 3.520 0 40 FHAB CCCN1C(=O)[C@@](O)(CC(=O)c2ccc(C)cc2)c2cc(Cl)ccc21 1320482 MOOKCPDDYUYVTA-HXUWFJFHSA-N 357.837 3.866 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1N[C@@H](C(=O)NC1CC1)c1ccccc1 25066050 JHBWBKSYYFWDDI-OAQYLSRUSA-N 360.461 3.921 0 40 FHAB COc1cc(NC[C@@](C)(O)CN2CC[C@H](C)C[C@H]2C)c2ncccc2c1 4522429 ASNCKFJWFVCYMZ-GCKMJXCFSA-N 357.498 3.527 0 40 FHAB Nc1c(Br)cc2c(c1Br)[C@H](O)c1ccccc1-2 4824822 SRHBQUDENOVTPK-CYBMUJFWSA-N 355.029 3.856 0 40 FHAB CCc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(C(=O)OC)cc23)cc1 4852900 SYZNFFAQXRIHPL-UWJYYQICSA-N 366.417 3.805 0 40 FHAB COc1ccc(C(=O)Nc2ccc(-c3noc(C)n3)cc2C)cc1OC 1429818 VWQQAFLKUMYBHC-UHFFFAOYSA-N 353.378 3.623 0 40 FHAB Cc1cccc(N[C@@H]2CC(=O)N(c3ccccc3Br)C2=O)c1 7212838 WKNNYSXSXVGJPV-CQSZACIVSA-N 359.223 3.502 0 40 FHAB CCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(Cc1ccccn1)C3 57120848 NVXZSDCSJFTYHH-UHFFFAOYSA-N 356.809 3.756 0 40 FHAB COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NC(C)C)cc1OC 8727384 IHEDOVRTUUXWAW-UHFFFAOYSA-N 365.433 3.695 0 40 FHAB CC(C)(C)SCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 9063587 BZKVBXZQBKRPQW-UHFFFAOYSA-N 352.519 3.686 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)NCc1ccccc1OC(F)F 10275233 KKIIHUGURVELGS-GFCCVEGCSA-N 350.365 3.857 0 40 FHAB CCCS(=O)(=O)Nc1cccc(NC(=O)/C=C/c2ccccc2)c1C 58213023 QBGSLSIECOTFNO-OUKQBFOZSA-N 358.463 3.799 0 40 FHAB O=C(NCc1ccc(OCc2cccnc2)cc1)c1cc(F)cc(F)c1 36391579 VNWRENVNTSHQOW-UHFFFAOYSA-N 354.356 3.869 0 40 FHAB CC(C)N(C(=O)CNc1ccc(NC(=O)C2CC2)cc1)c1ccccc1 10943943 GBMXKVAZZHYSBY-UHFFFAOYSA-N 351.450 3.889 0 40 FHAB O=C(NCCOc1ccc2ccccc2c1)c1ccc2c(c1)OCCCO2 10996187 LPZZWCSWFUVDMJ-UHFFFAOYSA-N 363.413 3.810 0 40 FHAB COc1ccccc1C(=O)n1nc2c3c(cccc31)C(=O)c1ccccc1-2 3235385 VGFIPBRHQYRDCK-UHFFFAOYSA-N 354.365 3.945 0 40 FHAB CCN(C)[C@H](C(=O)Nc1ccc(-n2cccn2)c(F)c1)c1ccccc1 95348709 AEZVYMBJLMROHN-IBGZPJMESA-N 352.413 3.643 0 40 FHAB COc1cc([C@H]2N(Cc3ccco3)C(=O)c3ccccc3N2C)ccc1O 28923909 MTICISLRXKQRNZ-HXUWFJFHSA-N 364.401 3.785 0 40 FHAB O=C(CSc1nc(CC2CCCC2)n[nH]1)NCc1ccccc1Cl 11498239 DVSWLGROTXABIF-UHFFFAOYSA-N 364.902 3.599 0 40 FHAB Clc1cc2c(c(CN3CCN(Cc4ccsc4)CC3)c1)OCOC2 29156603 RDCMVVZIVOTERO-UHFFFAOYSA-N 364.898 3.586 0 40 FHAB COc1ccccc1NC(=O)CNc1cc(Cl)ccc1N1CCCC1 11620722 LJWRZHJAWMEUKI-UHFFFAOYSA-N 359.857 3.999 0 40 FHAB COc1ccc(Cl)cc1NC(=O)c1cc2c(cc1OC)OCCCO2 46077954 UCBFKYDCMLOXEZ-UHFFFAOYSA-N 363.797 3.771 0 40 FHAB CC[C@@H](NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1)c1ccc(C)cc1 29201535 PYVHYMDIHDZJQW-QGZVFWFLSA-N 360.479 3.556 0 40 FHAB Cc1cccn2c(=O)c3cc(C(=O)N(C)C4CCCCC4)sc3nc12 2722893 BQZOJQIEUZCKCG-UHFFFAOYSA-N 355.463 3.622 0 40 FHAB COC(=O)[C@@H](C)NC(=O)CC12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 100970398 ITIBVFBRXGCSPT-CTHIEXCLSA-N 355.478 3.592 0 40 FHAB Cc1cc(F)ccc1NC(=O)[C@@H](C)Cn1nc(C)c(Br)c1C 2795364 LJONNDOHENMWRD-JTQLQIEISA-N 368.250 3.985 0 40 FHAB CCn1ncc(Cl)c1CN(C)C(=O)c1cc(-c2cccs2)on1 2805495 VGZOAFHSCRUQKO-UHFFFAOYSA-N 350.831 3.545 0 40 FHAB C[C@@H](NC(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1)[C@@H]1CCCO1 54509179 DMPPTTGUCBONOX-RISCZKNCSA-N 368.359 3.580 0 40 FHAB Cn1cc(/C=C/C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)cn1 24385429 LHIMLHOQOONXDG-SCOAYWHSSA-N 352.463 3.797 0 40 FHAB Cc1cc(Br)ccc1NC(=O)c1cn(Cc2ccccc2)nn1 12798408 GDEBHSBYFAJKMQ-UHFFFAOYSA-N 371.238 3.650 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)COc3c(C)cc(C)cc3C)ccc21 12886168 DEFDJQILOMKHMY-UHFFFAOYSA-N 352.434 3.538 0 40 FHAB Cc1cc(C)c(N(CC(=O)Nc2cc(C)ccc2C)S(C)(=O)=O)c(C)c1 22379320 HZDNDVBNJQLZTB-UHFFFAOYSA-N 374.506 3.633 0 40 FHAB Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCOCC1 48738084 AEROEFYTIFMIPU-UHFFFAOYSA-N 354.410 3.503 0 40 FHAB CC(C)c1cc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cs1 13329183 ULOYHYBAHKJIQI-UHFFFAOYSA-N 358.463 3.596 0 40 FHAB COc1ccc(CN(C(=O)c2cc[nH]n2)[C@H]2CCCC[C@H]2C)cc1OC 93367607 CQLQSFQHTWNTRH-PBHICJAKSA-N 357.454 3.648 0 40 FHAB CCCc1cc(-c2nc(C)c(C(=O)NCc3ccncc3)s2)ccn1 13731626 CXMUBYQRMXZRKR-UHFFFAOYSA-N 352.463 3.791 0 40 FHAB CC(C)Oc1cccc(-c2nnc(SCc3ccc(F)cc3)n2N)c1 5100851 KNLKRRKHEJRYDS-UHFFFAOYSA-N 358.442 3.878 0 40 FHAB Cc1nc(SCC(=O)Nc2ccc3c(c2)OCO3)n(CC(C)C)c1C 5262835 PWTWJSHPEVPJRR-UHFFFAOYSA-N 361.467 3.615 0 40 FHAB CS(=O)(=O)NCCc1ccc(-c2csc(-c3ccsc3)n2)s1 14103647 YZEIVANNBNSMPC-UHFFFAOYSA-N 370.546 3.692 0 40 FHAB CN(C)CCNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 9363972 OCXXVWDVFYJQDL-UHFFFAOYSA-N 353.853 3.847 0 40 FHAB O=C1OCC[C@@H]1Sc1nnc(Nc2ccccc2C(F)(F)F)s1 9336023 YKVKGZXCIJMAII-VIFPVBQESA-N 361.370 3.708 0 40 FHAB CCCCN1C(=O)[C@@](O)(CC(=O)c2ccccc2Cl)c2ccccc21 4784423 XQYDKCHMOOMSRV-HXUWFJFHSA-N 357.837 3.947 0 40 FHAB CCSc1nc(NCCCCN)c2sc3c(c2n1)COC(C)(C)C3 6757617 KGJWAWAPTSMKAW-UHFFFAOYSA-N 366.556 3.805 0 40 FHAB O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)N1CCOCC1 6719404 OZCWTBMRQPSOEX-UHFFFAOYSA-N 367.424 3.551 0 40 FHAB COc1ccc2cc(CN(C)CC(=O)N(C)Cc3ccccc3)ccc2c1 15370255 OAYWLZIPFAVMSA-UHFFFAOYSA-N 362.473 3.939 0 40 FHAB COc1ccccc1CCNC(=O)c1ccc(F)cc1Br 9458908 MMWMEEZOOHWCJY-UHFFFAOYSA-N 352.203 3.569 0 40 FHAB C[C@H](NC(=O)Cc1ccc(Br)cc1)c1nc2ccccc2[nH]1 9467607 KZWCPRURJFLGOZ-NSHDSACASA-N 358.239 3.745 0 40 FHAB Cn1cccc1Sc1nc(-c2ccccc2)[nH]c(=O)c1C(F)(F)F 9461191 DAPPDFFZPSZWSR-UHFFFAOYSA-N 351.353 3.945 0 40 FHAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nncn2-c2cccc(Cl)c2)C1 7318772 ZJQOYMIQVPZVKP-CHWSQXEVSA-N 364.902 3.517 0 40 FHAB CCCCC1CCC(C(=O)NC[C@H](c2ccco2)N2CCOCC2)CC1 19897787 ZSCALGXDTJTEFH-CTWPCTMYSA-N 362.514 3.766 0 40 FHAB CC[C@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1cc(C)on1 16747801 VVBXYFWGKFEANQ-NSHDSACASA-N 357.193 3.864 0 40 FHAB CN(c1ccc(-c2csc(NC3CCCC3)n2)cc1)S(C)(=O)=O 8208438 CUSLZZAAIOKFPA-UHFFFAOYSA-N 351.497 3.560 0 40 FHAB CCOc1cc2c(c3[nH]c(C(=O)NCc4nc(C)cs4)cc13)O[C@@H](C)C2 69370256 GPXVOWUMCBVUCK-NSHDSACASA-N 371.462 3.585 0 40 FHAB COc1cc(NC(=O)COc2ccc3c(c2)CCC3)c(OC)cc1Cl 8313662 JPJRTFMFMAVMQP-UHFFFAOYSA-N 361.825 3.863 0 40 FHAB Brc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3nnnn32)cc1 8518558 HOPJMXGWSCILBZ-LSDHHAIUSA-N 356.227 3.582 0 40 FHAB CC(C)Oc1ccc(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)cc1 408714100 IQYSEONYDBPMSL-UHFFFAOYSA-N 351.406 3.796 0 40 FHAB CC(=O)c1ccc(NC(=O)NCC2(c3ccccc3)CCOCC2)cc1 31094846 ASUOCQUDNJYKSN-UHFFFAOYSA-N 352.434 3.759 0 40 FHAB CCOc1ccc(NC(=O)CCC(=O)c2ccc(OC)cc2OC)cc1 408825206 HVWNGNUYTKYBCE-UHFFFAOYSA-N 357.406 3.704 0 40 FHAB COCCNc1nc2sc(C)c(C)c2c2nc(Cc3ccccc3)nn12 32074640 SSBARFHFKWYMMI-UHFFFAOYSA-N 367.478 3.605 0 40 FHAB Cc1nn2c(C(=O)O)cc(-c3ccc(OC(F)F)cc3)nc2c1Cl 36615677 YKOUIBMXHNGMOV-UHFFFAOYSA-N 353.712 3.658 0 40 FHAB CCN1CCN(c2cc(NC(=O)c3ccc(C)cc3)c(Cl)cc2N)CC1 72229078 WQVHZCNLJBGXPB-UHFFFAOYSA-N 372.900 3.625 0 40 FHAB CCCCC(=O)N1CCC[C@@H](N2CCc3cc(OC)c(OC)cc3[C@@H]2C)C1 72342508 BPMSWIXPPOYMTI-FUHWJXTLSA-N 374.525 3.804 0 40 FHAB C[C@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)NCCc1ccccc1 227158863 MVIZDAJWKLVFLE-HNNXBMFYSA-N 369.852 3.652 0 40 FHAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1 223842855 DWCLSDYVLDUOQL-ROUUACIJSA-N 351.431 3.866 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222711419 UCLLWTQQSXNODY-SUMWQHHRSA-N 359.397 3.632 0 40 FHAB Cc1sc2nc(SCC(=O)N[C@H]3CCCC[C@@H]3C)nc(N)c2c1C 40063000 SIRDJMLMPNWYHO-CABZTGNLSA-N 364.540 3.677 0 40 FHAB Cc1ccc(OC(=O)Cn2c(-c3ccc(F)cc3)c(C)sc2=O)cc1 40128223 CKHPDPTWSHGSCM-UHFFFAOYSA-N 357.406 3.938 0 40 FHAB COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(N)cc2)cc1 225313316 CUNNBGVMWSMGHG-UHFFFAOYSA-N 368.458 3.673 0 40 FHAB Cc1ccc(C(=O)C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)cc1 40090721 ADPZUNJVLQTSNR-UHFFFAOYSA-N 356.809 3.597 0 40 FHAB Cc1ccc(CC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c(C)c1 223267067 CUQBBQZXUWLQSH-UHFFFAOYSA-N 355.825 3.866 0 40 FHAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1ccc(OC)c(OC)c1 225581208 ANBDSRVIBSHBDZ-MRXNPFEDSA-N 365.543 3.645 0 40 FHAB CCn1nc(C)c(CN(CCCn2ccnc2)Cc2cccc(F)c2)c1C 43277721 GYAOCHAUMZTYDQ-UHFFFAOYSA-N 369.488 3.948 0 40 FHAB COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344989 FFMUFXUJFDUASY-KFWWJZLASA-N 358.265 3.801 0 40 FHAB C[C@@H](C(=O)NC1CCCCC1)S(=O)(=O)Cc1ccc(C(C)(C)C)cc1 40106037 IRGUYBWIXIWODF-HNNXBMFYSA-N 365.539 3.736 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)N(C)c2cccc(Cl)c2Cl)cc1 224901726 UCKAXUAZWOPMSI-UHFFFAOYSA-N 373.261 3.777 0 40 FHAB CCCOC1(C(=O)Nc2ccc(OC)c(C(=O)OCC)c2)CCCCC1 225851411 XDEOCDIMJIGOEW-UHFFFAOYSA-N 363.454 3.940 0 40 FHAB CC(=O)N1CCC2(CC1)C[C@H](NCc1ccsc1)c1ccccc1O2 96079708 LOLYXKQYFQZMGM-SFHVURJKSA-N 356.491 3.743 0 40 FHAB Cc1sc2nc(CCC(=O)O)nn2c1-c1ccc(Br)cc1 95095807 FWEHFENFRNTKJT-UHFFFAOYSA-N 366.240 3.546 0 40 FHAB O=S(=O)(c1ccccc1Nc1ccc(N2CCCC2)nc1)C(F)(F)F 95347293 DDGVULYJZVZSGB-UHFFFAOYSA-N 371.384 3.719 0 40 FHAB C[C@@H](C(=O)Nc1ccccc1-n1ccnc1)[C@H]1OCCc2sccc21 584876220 DGEYRVVQXCHREN-FZKQIMNGSA-N 353.447 3.822 0 40 FHAB Cc1cc(Cl)cc2c1OCCC[C@@H]2NC1CCN(c2ncccn2)CC1 585081519 UKMJJWKGWJKVEU-SFHVURJKSA-N 372.900 3.911 0 40 FHAB Cc1cc(N2CCC[C@H](c3ncc(Cc4ccccc4F)o3)C2)ncn1 257216916 CWQQTKIYLMUXQD-INIZCTEOSA-N 352.413 3.887 0 40 FHAB CC(C)c1ccc(OCCc2cc([C@H]3CN(CC4CC4)CCO3)n[nH]2)cc1 257224819 FDNCDGRYLLTCBF-JOCHJYFZSA-N 369.509 3.938 0 40 FHAB Cc1csc(NC(=O)CCCOc2ccc(-c3cnn(C)c3)cc2)n1 252484653 GCWXFVLTTUFJMW-UHFFFAOYSA-N 356.451 3.650 0 40 FHAB COc1ccc(CN2CC3(C[C@@H](OCc4cccc(C)n4)CS3)C2)cc1 585105065 ONXIKGBEJITSBC-HXUWFJFHSA-N 370.518 3.675 0 40 FHAB Cc1cccc(OCCC(=O)Nc2ccccc2N2CCC(O)CC2)c1C 78624198 NMVYZICITBPJLQ-UHFFFAOYSA-N 368.477 3.672 0 40 FHAB Cc1ccccc1-n1nnnc1SCC(=O)c1ccc2c(c1)CCCC2 5352104 KROGWNXWQUCVFZ-UHFFFAOYSA-N 364.474 3.825 0 40 FHAB CCOC(=O)c1ccsc1NC(=O)CN(C)[C@H]1CCCc2ccccc21 11285641 LONXABDTGDGCRW-KRWDZBQOSA-N 372.490 3.873 0 40 FHAB Cn1c(N2CCC(C(=O)Nc3cccc(F)c3)CC2)nc2ccccc21 12116304 VCSZUDYYJKVDOP-UHFFFAOYSA-N 352.413 3.568 0 40 FHAB Cc1cccc(OCCCC(=O)N[C@@H](c2ccccc2)c2nccn2C)c1 12520219 RAJUAWMPFPCFOJ-NRFANRHFSA-N 363.461 3.793 0 40 FHAB CC(=O)c1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)c(F)c1 12551376 XHYHYPLGTDIPEX-UHFFFAOYSA-N 366.392 3.737 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1 14398231 KKEZGXWOOLHDRA-CQSZACIVSA-N 358.413 3.762 0 40 FHAB CC(C)CC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccnc2)C1 19446672 KMJNYABWAOREAR-UGKGYDQZSA-N 366.509 3.592 0 40 FHAB CCc1noc(C)c1C(=O)N1CCC[C@H]1c1n[nH]cc1-c1ccncc1C 19521221 OFZHXQKJMASBDJ-KRWDZBQOSA-N 365.437 3.616 0 40 FHAB Cc1c(-c2cc(C(=O)N[C@H](c3ccc(F)cc3)C(C)C)no2)cnn1C 19554088 YMKOZHDXTLVFGR-SFHVURJKSA-N 356.401 3.650 0 40 FHAB O=C(Nc1cccc(-n2cccn2)c1)[C@@H](Cc1ccccc1)N1CCCC1 19714606 TZABEDZSZZHAQB-OAQYLSRUSA-N 360.461 3.518 0 40 FHAB CC(C)(C)[C@@H]1CCc2onc(C(=O)N3CCC(N4CCCC4)CC3)c2C1 19715624 FBPKUELOFYCLFN-OAHLLOKOSA-N 359.514 3.526 0 40 FHAB COC(=O)[C@H](CC(C)C)NC(=O)c1cccc(OCc2ccc(F)cc2)c1 13000154 WYBRCIATYIISHN-IBGZPJMESA-N 373.424 3.722 0 40 FHAB O=C(Cc1cccc(Cl)c1)N1CCC[C@](O)(COc2ccccc2)CC1 2037909291 NKWPSWMSJSUPDL-OAQYLSRUSA-N 373.880 3.705 0 40 FHAB Cc1nc2scc(C)n2c(=O)c1NC(=O)c1ccccc1C(F)(F)F 8931765 DNCJZBAVUCCIAU-UHFFFAOYSA-N 367.352 3.644 0 40 FHAB Cc1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1 11612527 WTOIIEKFKXBJGG-GOSISDBHSA-N 372.490 3.567 0 40 FHAB CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cccc(F)c21 100909314 WBJNRCRRAJDQKR-VZCXRCSSSA-N 368.389 3.709 0 40 FHAB O=S(=O)(c1ccc(Cl)s1)N1CCS[C@H](c2ccco2)CC1 219443006 OOJDVWULILYDAE-NSHDSACASA-N 363.913 3.863 0 40 FHAB O=C(NCC[C@H](CCO)c1ccccc1)c1cccc(Br)c1 206626125 JUKWHVWPUJLDDN-OAHLLOKOSA-N 362.267 3.735 0 40 FHAB COc1ccccc1N1C(=O)/C(=C\Nc2ccccn2)c2ccccc2C1=O 100903605 NGWPFIFEJDURHG-VKAVYKQESA-N 371.396 3.730 0 40 FHAB COc1ccc([C@@H](CNC(=O)CCc2ccccc2Cl)N(C)C)cc1 21224119 GOMMCSREMSWAKM-LJQANCHMSA-N 360.885 3.700 0 40 FHAB O=C(O)c1cc(/C=C/c2ccc(-n3cncn3)c(F)c2)nc2ccccc12 41873545 WGRJFYNUTDMEMX-FNORWQNLSA-N 360.348 3.823 0 40 FHAB CCN(CC)c1ccc2cc(C(=O)Nc3cccc(OC)c3)c(=O)oc2c1 846001 JAFBQHBVDFSSRR-UHFFFAOYSA-N 366.417 3.900 0 40 FHAB COc1ccccc1C(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1 955484 SLBKNFBTYVLRIW-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB O=c1c(Br)c(NCCc2ccccc2)cnn1-c1ccccc1 957116 VKDMOIZKWYZCBM-UHFFFAOYSA-N 370.250 3.650 0 40 FHAB O=C(CSc1nnnn1C1CCCCC1)Nc1nc2ccccc2s1 1340463 ICPWNBRPBQIUGH-UHFFFAOYSA-N 374.495 3.519 0 40 FHAB C[C@@H]1CCc2c(sc3ncn4nc(-c5ccccc5C(=O)O)nc4c23)C1 2441733 RTLMQSNSBGWVRA-SNVBAGLBSA-N 364.430 3.829 0 40 FHAB COc1ccc(OC)c(NC(=O)N2CCN(c3ccc(C)cc3)[C@H](C)C2)c1 2858136 DVYRZNLXEALZMY-MRXNPFEDSA-N 369.465 3.755 0 40 FHAB O=c1c2cc(Br)ccc2[nH]c(=S)n1-c1ccc(F)cc1 2969909 RPTLUIHAKIUVHL-UHFFFAOYSA-N 351.200 3.950 0 40 FHAB Cc1cc(C)cc(NC(=O)COC(=O)c2cccc(Br)c2)c1 3310039 VTNGABXEQMUYEB-UHFFFAOYSA-N 362.223 3.861 0 40 FHAB COC(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 3318667 DCFXHTBNOVZFSL-NSHDSACASA-N 374.853 3.636 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2ccccc2OCC)c1C 3343240 VXXADRUBYSTDJH-AWEZNQCLSA-N 358.438 3.890 0 40 FHAB COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)C1CC1)oc1ccccc12 3437247 OYBBIKNRAOCAOF-NSHDSACASA-N 353.374 3.875 0 40 FHAB O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1ccccc1 3543422 HBGPLUUFPPKNDE-UHFFFAOYSA-N 374.396 3.734 0 40 FHAB O=C(CSc1cccc(C(F)(F)F)c1)NC(=O)NCc1ccccc1 5077974 GDWGUMSYOLFRME-UHFFFAOYSA-N 368.380 3.824 0 40 FHAB COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(Cl)c(Cl)c1 5277361 JWNGCAKQQCLNLN-UHFFFAOYSA-N 370.232 3.949 0 40 FHAB CCCn1c(S[C@H](C)C(=O)Nc2ccccc2)nnc1-c1ccncc1 5430409 LTMXPISSFHFLEB-CQSZACIVSA-N 367.478 3.869 0 40 FHAB CCOc1ccc(CC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 5439996 HMWUFEUNPKZBFA-UHFFFAOYSA-N 352.434 3.702 0 40 FHAB Cc1ccc(-c2nc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)sc2C)cc1 5794916 MNIUQIMUATZZEH-QXSJWSMHSA-N 368.458 3.888 0 40 FHAB COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)NCC3CCCCC3)n2)cc1 6141786 WKDIUQZHJSYHQN-ZDUSSCGKSA-N 374.510 3.657 0 40 FHAB O=C(/C=C/c1cccc(F)c1)Nc1cc(Cl)ccc1N1CCOCC1 6247950 FPGVQGOMLFWFFM-QPJJXVBHSA-N 360.816 3.968 0 40 FHAB COc1ccc(C)c(NS(=O)(=O)c2ccc(Br)cc2)c1 6270313 KUKDYVCLMMLADZ-UHFFFAOYSA-N 356.241 3.567 0 40 FHAB O=C(COC(=O)/C=C/c1ccc2ccccc2n1)Nc1ccc2c(c1)CCC2 6558201 CQGFUMCKZJLOGR-OUKQBFOZSA-N 372.424 3.919 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nc(-c2ccccc2)n[nH]1 6763366 AEBOVQQOYGYTFN-HNNXBMFYSA-N 366.490 3.701 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)Cn1nc(-c2cccs2)oc1=O 7250426 YKLSWDHYHLXYJP-UHFFFAOYSA-N 357.435 3.635 0 40 FHAB Cc1ccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1 7400393 GHJWPTFYAVPTRL-UHFFFAOYSA-N 354.494 3.965 0 40 FHAB CCc1noc(C)c1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 8038849 DFMVZEVYDBPKQD-UHFFFAOYSA-N 365.437 3.783 0 40 FHAB O=C(NC1CC1)c1cccc(NC(=O)c2csc(-c3ccccc3)n2)c1 8230739 IBWVXVFLTTUUSL-UHFFFAOYSA-N 363.442 3.955 0 40 FHAB O=Cc1cc(Br)c(OCc2cccnc2)c(Br)c1 8702314 NYPHYQXWOHBMDD-UHFFFAOYSA-N 371.028 3.998 0 40 FHAB CCOc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)ccc1O 8780368 JJRXFQNDPZBOFM-YWZLYKJASA-N 368.433 3.536 0 40 FHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(-n2cccc2)cc1 9367670 TYRWRARQLHAQQB-UHFFFAOYSA-N 370.456 3.994 0 40 FHAB Cc1cccn2c(=O)cc(CN[C@H](c3ccccc3)c3cccs3)nc12 9741210 ZCWZBUDJSQJWNE-HXUWFJFHSA-N 361.470 3.944 0 40 FHAB Cc1nc2ccc(Cl)cc2cc1C(=O)OCc1ccc(C(N)=O)cc1 10468964 SNEYXIOKFSGWRU-UHFFFAOYSA-N 354.793 3.653 0 40 FHAB Cn1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)n1 11695526 HZKPPEVBFHFKGC-UHFFFAOYSA-N 350.403 3.655 0 40 FHAB Cn1/c(=N\C(=O)c2ccc(Br)s2)sc2cc(F)ccc21 11853027 GTWCIZYYKLLHFA-DTQAZKPQSA-N 371.256 3.944 0 40 FHAB O=c1[nH]c(SCc2cccc(Br)c2)nc2c1CCCC2 11903578 ZCELVEYZFNDSFY-UHFFFAOYSA-N 351.269 3.704 0 40 FHAB Cc1cnc2c(S(=O)(=O)N(Cc3ccccc3)C3CC3)cccc2c1 12523397 DKVPOENWKBNVTD-UHFFFAOYSA-N 352.459 3.897 0 40 FHAB COc1ccc2c(C)c(CCC(=O)N[C@H](C)c3cccs3)c(=O)oc2c1 12580806 WIEPEPALYXERCL-CYBMUJFWSA-N 371.458 3.982 0 40 FHAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(OC)cc1)O[C@@H](C)C2 12586865 VBTPMBVOKVPRKW-KBPBESRZSA-N 370.449 3.856 0 40 FHAB C[C@@H](Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)Nc1cccc(Cl)c1Cl 12739679 YQXDQUCYOQQJNJ-MRVPVSSYSA-N 365.220 3.602 0 40 FHAB COc1ccc(C(=O)[C@H](C)Sc2nnc(Cc3cccs3)n2C)cc1 12748617 UJFOHVCKYSRSCU-LBPRGKRZSA-N 373.503 3.840 0 40 FHAB CCOc1ccccc1-c1noc(COC(=O)c2cccnc2Cl)n1 12851071 PCMBFWRTXDABRZ-UHFFFAOYSA-N 359.769 3.541 0 40 FHAB O=C(Nc1ccc2c(c1)CCC2)c1cccc(NC(=O)[C@@H]2CCCO2)c1 12931973 LUCGYFFOIBEYKD-IBGZPJMESA-N 350.418 3.545 0 40 FHAB O=C(Nc1nc2ccccc2s1)[C@H]1CCCN1C(=O)c1ccccc1 12934296 RYGGTSLALPYEFQ-OAHLLOKOSA-N 351.431 3.540 0 40 FHAB COc1ccccc1NC(=O)CSCC(=O)Nc1ccc(Cl)cc1 15352822 HARJNUBSLGBHBF-UHFFFAOYSA-N 364.854 3.659 0 40 FHAB Cc1cnc(-c2nnc([C@@H]3CCN(Cc4ccc(C(C)C)cc4)C3)o2)cn1 19239176 AWTSEQYHNYKIBH-GOSISDBHSA-N 363.465 3.948 0 40 FHAB O=S(=O)(N[C@H](Cc1ccsc1)c1cccnc1)c1ccc(F)cc1 19338151 ASEZMESCETUGLK-QGZVFWFLSA-N 362.451 3.545 0 40 FHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN(C(=O)C4CC4)C3)cc2N1 19520650 GEFRGCKJGCUHOI-GZBFAFLISA-N 370.419 3.697 0 40 FHAB COc1ccc(CNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 20110565 SECKSQRWLUTPPS-UHFFFAOYSA-N 352.478 3.857 0 40 FHAB Nc1nc2ccc(Cl)cc2c(-c2ccccc2)c1CN1CCOCC1 20506703 JWULVNPALNKMKT-UHFFFAOYSA-N 353.853 3.970 0 40 FHAB CCN(C(C)=O)c1nc(CSc2ccc3c(c2)OCCCO3)cs1 24270366 PYJCBWGDGPWBCJ-UHFFFAOYSA-N 364.492 3.970 0 40 FHAB O=C(NC1CC1)[C@@H](Sc1nccc(C(F)(F)F)n1)c1ccccc1 24987738 CIRXTVXQTRMBDM-ZDUSSCGKSA-N 353.369 3.607 0 40 FHAB O=C(c1sc2cc(F)ccc2c1Cl)N1CCC2(CC1)OCCO2 24996712 ILOYHINMNIVWPC-UHFFFAOYSA-N 355.818 3.673 0 40 FHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)OCc1nc2ccccc2o1 25134048 IHIGQVWYIXJQKV-UHFFFAOYSA-N 367.336 3.693 0 40 FHAB CCOC(=O)Nc1ccc(C(=O)OCC(=O)c2cc(F)ccc2F)cc1 25136595 WTLVYNFUIDRFIB-UHFFFAOYSA-N 363.316 3.573 0 40 FHAB CCOC(=O)c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCCO3)nc1 25492811 BUGWBLSVNAEQLZ-KRWDZBQOSA-N 368.433 3.761 0 40 FHAB CCC[C@@H](C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccccc1 26061326 UZTYOKMWVQLNHK-LJQANCHMSA-N 372.490 3.650 0 40 FHAB CC(C)=C[C@H]1[C@H](C(=O)OCC(=O)Nc2ccc3c(c2)OCCCO3)C1(C)C 26083517 HGDAVHGONCBAEB-HNAYVOBHSA-N 373.449 3.568 0 40 FHAB Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)N3CCCC3)n[nH]2)s1 28833028 AWWKIRAIKITMMO-MRXNPFEDSA-N 370.478 3.607 0 40 FHAB COc1cc(CNC(=O)c2c3c(nc4ccccc24)CC[C@H](C)C3)ccn1 29840479 SONDJCRNVPGNOT-AWEZNQCLSA-N 361.445 3.693 0 40 FHAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 30329093 YQHNPINOLDXWHU-GFCCVEGCSA-N 369.870 3.787 0 40 FHAB COc1ccc(-c2nc(CSCC(=O)NCc3ccco3)cs2)cc1 31413095 HBKFAESNWVVCFQ-UHFFFAOYSA-N 374.487 3.961 0 40 FHAB O=C(Nc1ccccc1F)c1ccc2c(=O)n(-c3ccccc3)cnc2c1 32105991 RPIONSONVGHJLN-UHFFFAOYSA-N 359.360 3.777 0 40 FHAB O=C(CCCNC(=O)c1cccs1)NCc1cccc(C(F)(F)F)c1 32716622 WQSBYIPJMIXNHK-UHFFFAOYSA-N 370.396 3.593 0 40 FHAB O=C(CN1CCCC1=O)Nc1ccc(-c2nc3ccccc3s2)cc1 32748042 HEGCYCVDVPPTCG-UHFFFAOYSA-N 351.431 3.524 0 40 FHAB Cc1cnc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@H](C)C3)cn1 32931872 LCHGZLFJHVMGBV-NSHDSACASA-N 373.478 3.789 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)N[C@H](C)CCc2ccccc2)o1 32950347 SVLJVCMNVXRIAG-CYBMUJFWSA-N 371.462 3.868 0 40 FHAB CCc1noc(-c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)n1 33012477 DCMIAAFLTJEGIP-UHFFFAOYSA-N 351.406 3.933 0 40 FHAB CCCCC(=O)Nc1ccc(C)c(OCc2cc(=O)n3ccccc3n2)c1 33268534 WXSCQDKPDOZGIJ-UHFFFAOYSA-N 365.433 3.711 0 40 FHAB CC[C@H](C)[C@H](CO)NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 36575450 FPZROPSTXSNIAG-NHYWBVRUSA-N 352.887 3.529 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(COc2ccccc2F)o1 40106504 WWHMNYOUYCKXQD-UHFFFAOYSA-N 355.321 3.979 0 40 FHAB CC(C)CCn1ccc2nc3ncnn3c(-c3ccccc3Cl)c2c1=O 40398055 QPHOXHRAGKQPAF-UHFFFAOYSA-N 367.840 3.806 0 40 FHAB CSc1nccn1-c1ccc(C(=O)N(Cc2ccco2)C2CC2)cc1 44475270 MYWQPCLWAHIARO-UHFFFAOYSA-N 353.447 3.992 0 40 FHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCN1C[C@@H](C)C[C@H](C)C1 44845974 WRJRCZGDIAPEDI-BJLQDIEVSA-N 360.542 3.945 0 40 FHAB O=C(Nc1cccc(-n2cccn2)c1)N1CCC(Oc2ccccc2)CC1 56660077 SXBZYGLORIRVBX-UHFFFAOYSA-N 362.433 3.948 0 40 FHAB CCc1cc(=O)n(CC(=O)Nc2ccccc2C)c(-c2ccc(F)cc2)n1 57508631 KCIQMPUCAACXRV-UHFFFAOYSA-N 365.408 3.559 0 40 FHAB O=C(NCc1cc2ccccc2[nH]1)C1(c2cccc(F)c2)CCOCC1 58426365 VSQXONIEZAZQQN-UHFFFAOYSA-N 352.409 3.672 0 40 FHAB COc1ccc(CCN2CCc3c([nH]c4c(C)cccc34)C2=O)cc1OC 68605373 DNEVVBVJMSPVKX-UHFFFAOYSA-N 364.445 3.735 0 40 FHAB Cc1cc(C(=O)NCc2ccc(F)cc2)c2cnn(C3CCCC3)c2n1 71279502 JQSSYPNMWSTESM-UHFFFAOYSA-N 352.413 3.924 0 40 FHAB CCc1nc(C(=O)N(C)[C@H](C)c2ccco2)nn1-c1ccccc1Cl 71847889 OFOSQCIYUIGGOM-GFCCVEGCSA-N 358.829 3.909 0 40 FHAB CN1CCN(C(=O)c2cccc(Br)c2)C2(CCCCC2)C1 72306716 JYRZEHMITWPFAO-UHFFFAOYSA-N 351.288 3.540 0 40 FHAB Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1CNC[C@H](C)O 72713970 SQQVONZWSBTJEN-VIFPVBQESA-N 362.688 3.670 0 40 FHAB CN(C)C(=O)c1ccc(F)c(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)c1 79055267 KJRZYOOPASASGK-GJZGRUSLSA-N 360.816 3.923 0 40 FHAB Cn1ncc2c1N=C(O)CS[C@H]2c1ccc(OCc2ccccn2)cc1 79480669 ZIUPRZRTEOMQOT-SFHVURJKSA-N 366.446 3.818 0 40 FHAB C[C@H](OC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)[C@@H]1CCOC1 89239877 LGGODUKHCWIDKT-WDEREUQCSA-N 355.221 3.761 0 40 FHAB CCc1ccccc1OCC(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 95445545 BHOSGMHAOVJVCZ-SFHVURJKSA-N 371.824 3.570 0 40 FHAB c1ccc(Cn2ccnc2CCN[C@@H](c2ccccc2)c2ncc[nH]2)cc1 95940779 LXTUYRLBZZGGDT-NRFANRHFSA-N 357.461 3.576 0 40 FHAB CCc1ccc(C(=O)c2ccccc2C(=O)N(CC)C[C@@H](C)C(=O)O)s1 95989506 SHSHVKXSKKQRJI-CYBMUJFWSA-N 373.474 3.724 0 40 FHAB O=C(C[C@@H]1CC2(CCN(Cc3ccoc3)CC2)c2ccccc21)NC1CC1 96052971 MCXPYMQUXXHUED-GOSISDBHSA-N 364.489 3.969 0 40 FHAB COc1cccc(N[C@@H]2COC3(CCN(Cc4cccc(C)n4)CC3)C2)c1 96221411 CBWIEYDBVIOAIP-FQEVSTJZSA-N 367.493 3.634 0 40 FHAB O=C(NC1CCN(c2nccs2)CC1)c1ccccc1C(F)(F)F 96383639 DGQPEFCOMJTXRJ-UHFFFAOYSA-N 355.385 3.561 0 40 FHAB COc1ccc(Cl)cc1NC(=O)NC[C@H](OC)c1cccc(F)c1 96388893 XFXHKYUMHOMWOM-INIZCTEOSA-N 352.793 3.997 0 40 FHAB CC(C)NC(=O)Nc1ccccc1C(=O)/N=c1/sc2ccccc2n1C 105024556 WYOUPDNIIBWOKI-ZBJSNUHESA-N 368.462 3.511 0 40 FHAB CN(C(=O)Nc1nc(C2CC2)cs1)[C@@H]1CCCN(c2ccccc2)C1=O 172055419 YVZYJTARGSDKNZ-MRXNPFEDSA-N 370.478 3.680 0 40 FHAB C[C@](O)(CNC(=O)C1c2ccccc2Oc2ccccc21)Cc1ccco1 206616872 OZXQFCDHBGNWNL-JOCHJYFZSA-N 363.413 3.627 0 40 FHAB COc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OC 222562637 IUVZXXMQAHBBTI-JBBXEZCESA-N 355.463 3.688 0 40 FHAB CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 222898757 DZYZFKKOHCLORW-ZDUSSCGKSA-N 362.832 3.533 0 40 FHAB COc1cc(C)c(S(=O)(=O)NCc2ccc(OC(C)C)cc2)c(C)c1 223165046 BYKZSQPDFJOIKX-UHFFFAOYSA-N 363.479 3.578 0 40 FHAB CCCC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NCC 223268827 DKJOMLOHSXSMBF-NRFANRHFSA-N 366.505 3.871 0 40 FHAB CCSc1nnc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)s1 224147994 DUTNSQAZEDZZDZ-NSHDSACASA-N 363.508 3.935 0 40 FHAB CCCOCc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1OC 224417460 JMNGNHPQHVFNHP-UHFFFAOYSA-N 368.477 3.584 0 40 FHAB COc1cccc(OCCNC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 224422507 KSUZWICDGQDVSM-MRXNPFEDSA-N 357.450 3.781 0 40 FHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225052906 WSMAILHXIZUUMR-HNNXBMFYSA-N 356.447 3.705 0 40 FHAB O=C1CCCN1c1ccc(NC(=S)NCc2ccccc2Cl)cc1 225372164 KTSFWXWJDPBYLQ-UHFFFAOYSA-N 359.882 3.953 0 40 FHAB CCOc1ccc(NC(=S)NCc2nc(-c3ccccc3C)no2)cc1 225828406 KSZGKXUFPKLYGO-UHFFFAOYSA-N 368.462 3.930 0 40 FHAB O=C(c1ccccn1)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257213378 CHHQBAOCTKJYKR-SFHVURJKSA-N 351.381 3.777 0 40 FHAB Cc1cccc(Nc2cc([C@H]3CCCN(Cc4cn(C)cn4)C3)ccn2)n1 257222963 DVHMWZFMCSGWSL-SFHVURJKSA-N 362.481 3.642 0 40 FHAB CC(=O)NCc1cccc(-c2cccnc2C(=O)N(C)Cc2ccccc2)c1 257223791 DYWUWZLMYUETPN-UHFFFAOYSA-N 373.456 3.657 0 40 FHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@@H]4C[C@H]4C)C3)cc2N1 257242105 IBDNXZBAMCWNDX-FTQJZPFOSA-N 370.419 3.553 0 40 FHAB Cc1ccc(CN(CC(=O)O)C(=O)c2ccc3c(c2)ncn3C(C)C)cc1 257275266 NOPRSRBBDDBNPH-UHFFFAOYSA-N 365.433 3.653 0 40 FHAB CC[C@@H](C(=O)O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 262319802 CMMNXXBEISEBNS-SFHVURJKSA-N 371.412 3.691 0 40 FHAB O=C(NCCc1ccc(-c2ccoc2)s1)c1ccc2nsnc2c1 390830369 KPQUFNMVTNLWMG-UHFFFAOYSA-N 355.444 3.985 0 40 FHAB O=C(O)CCc1ccc(-c2cccs2)n1NC(=O)c1ccccc1F 408972500 UNDYIYFEJWHDBN-UHFFFAOYSA-N 358.394 3.757 0 40 FHAB Cc1c(F)cccc1NC(=O)CSc1nnc(Cc2ccccc2)n1C 409152793 JXYVUCKJDUBHRV-UHFFFAOYSA-N 370.453 3.584 0 40 FHAB Cc1ccccc1[C@H](C(=O)O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 563285272 XOXYDGQNTGSGDJ-QFBILLFUSA-N 355.409 3.855 0 40 FHAB O=C(NCC1CCN([C@H]2CCOC2)CC1)Nc1ccc(Cl)c(Cl)c1 618256692 WBVYYBJBNZTIED-AWEZNQCLSA-N 372.296 3.616 0 40 FHAB Cc1ccc2sc(N3CCn4c(nnc4C(F)(F)F)C3)nc2c1C 631128017 XEVUZHXEYYJXLV-UHFFFAOYSA-N 353.373 3.544 0 40 FHAB C[C@H](NC(=O)c1ccc2c(c1)[C@@H](CN)CCC2)c1cccc(-n2ccnc2)c1 659283813 CURNUYYCUCMTIZ-OXJNMPFZSA-N 374.488 3.742 0 40 FHAB C[C@H](NC(=O)c1ncc(C(N)=O)cc1Cl)c1ccc(F)c2ccccc12 1329412378 HXXUPPGNYIDCFA-JTQLQIEISA-N 371.799 3.617 0 40 FHAB Cc1nn(-c2ccccc2F)cc1CNc1cccc([C@H]2CCC(=O)N2)c1 1651224611 SFGYEYYALKPUSW-LJQANCHMSA-N 364.424 3.883 0 40 FHAB CC1=CC(C)(C)N2C(=O)[C@](O)([C@@H]3CC[C@H](C)CC3=O)c3cc(F)cc1c32 1740816801 VTUGJZCQRMESKN-OCMWWKOBSA-N 357.425 3.561 0 40 FHAB CCOc1ccc(CC(=O)N2CCC[C@H](COc3cccc(C)n3)C2)cc1 1775969552 XYHRDMXVNUJPGF-IBGZPJMESA-N 368.477 3.649 0 40 FHAB c1cnc(Nc2nc([C@H]3CCCCN3Cc3cscn3)cs2)cn1 1848353810 XCDUTGBRECDKMX-CQSZACIVSA-N 358.496 3.860 0 40 FHAB C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1Cn1ccnc1 24437865 OBIVTPVYSLIXGQ-HNNXBMFYSA-N 369.852 3.669 0 40 FHAB O=C(Nc1cccc(OC(=O)c2ccc3c(c2)OCO3)c1)c1ccccc1 806165 OBDWHCNDIXFHFR-UHFFFAOYSA-N 361.353 3.887 0 40 FHAB Cc1ccc(C)c(CC(=O)NCc2nc(-c3ccccc3Cl)no2)c1 78579602 MRIVNOBPSSKKDJ-UHFFFAOYSA-N 355.825 3.866 0 40 FHAB NC(=O)[C@H]1CCCN1c1nc(C2CC2)nc2scc(-c3ccccc3)c12 78679696 WIVZEAUEFGNPCJ-OAHLLOKOSA-N 364.474 3.690 0 40 FHAB Cc1ccnc(-c2ccc(NC(=O)NCc3ccc4c(c3)OCO4)cc2)n1 78754826 JGUWUNDLGJYMEX-UHFFFAOYSA-N 362.389 3.502 0 40 FHAB O=C(OCc1cnn(-c2ccccc2)c1)c1cc(Cl)c2c(c1)OCCO2 25066597 KUTAPUQUWBWWTJ-UHFFFAOYSA-N 370.792 3.654 0 40 FHAB Cc1ccc(NC(=O)Cc2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1 55502404 PNJOPBXNHYKNHP-UHFFFAOYSA-N 367.474 3.743 0 40 FHAB O=S(=O)(/C=C/c1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1 12551540 VLWANJSIPXJOGS-NTCAYCPXSA-N 367.474 3.743 0 40 FHAB Cn1cc(/C=C/C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)cn1 55908449 IBZNFWXULSHSQQ-DNXKIMQPSA-N 374.282 3.853 0 40 FHAB CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccoc1C 4860806 FWKUIGKRLNXPEV-UHFFFAOYSA-N 360.414 3.736 0 40 FHAB CCN(CC)C(=O)Cn1c(C)c(/C=C/c2cc[n+](C)cc2)c2ccccc21 4932962 JMQIUTULSXUGLC-UHFFFAOYSA-N 362.497 3.813 0 40 FHAB COc1ccc(CC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 6789637 FYELCKPIKPGTBV-OAQYLSRUSA-N 355.434 3.522 0 40 FHAB O=C(COCc1cc(-c2cccs2)on1)NCc1ccc(Cl)cc1 6876488 AADMUVKZWFZBCA-UHFFFAOYSA-N 362.838 3.890 0 40 FHAB COc1ccccc1C1(CNC(=O)N2CCCCCCC2)CCOCC1 56964650 REMBMKQCESIBFZ-UHFFFAOYSA-N 360.498 3.719 0 40 FHAB Cc1ccc(-n2nnc(C(=O)Nc3cc(Cl)ccc3C)c2N)cc1C 57509183 JEIWJPUDIDATQL-UHFFFAOYSA-N 355.829 3.680 0 40 FHAB COc1ccc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2ccccc2F)C3)cc1 100766720 ULLFTEMKNGHRGW-RTBURBONSA-N 355.453 3.954 0 40 FHAB O=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 8016520 KIBMCQSZHIKFOK-UHFFFAOYSA-N 356.853 3.652 0 40 FHAB Cc1ccc(OCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 27583867 KGVLFMSLSNYMSC-FQEVSTJZSA-N 372.896 3.981 0 40 FHAB COc1ccc(-c2nsc(NC(=O)c3ccc(F)cc3)n2)cc1OC 27584753 VYTFBXPENSQZQY-UHFFFAOYSA-N 359.382 3.614 0 40 FHAB CC(=O)Nc1ccc(CNCc2ccc(-n3ccnc3C)c(F)c2)cc1 58168829 NZOMONHXPWCRJB-UHFFFAOYSA-N 352.413 3.568 0 40 FHAB c1ccc([C@@H](CNCc2csc(-c3ncccn3)n2)N2CCCC2)cc1 58202260 ROYDEGSGUNEGBK-GOSISDBHSA-N 365.506 3.527 0 40 FHAB COC(=O)Nc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1 58358100 IKZZUJIZTGZQSA-UHFFFAOYSA-N 366.377 3.839 0 40 FHAB CC1(C)[C@@]2(C(=O)NCc3ccco3)CC[C@@]1(C)c1nc3ccccc3nc12 100940057 JNUSQEQONVHUBX-VXKWHMMOSA-N 361.445 3.868 0 40 FHAB C[C@H]1CCCC[C@H]1NC(=O)CN1CCC(CCc2ccc(O)cc2)CC1 36398495 FZLMWGOCKYCHSH-LAUBAEHRSA-N 358.526 3.732 0 40 FHAB O=C(Nc1ccc(F)c(Cl)c1)C1CCN(c2ccc(Cl)nn2)CC1 36395289 KUUWSOLUBQEYNC-UHFFFAOYSA-N 369.227 3.778 0 40 FHAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2ccc3ccccc3n2)CC1 10962077 PAQJQARQRSTWDJ-CQSZACIVSA-N 372.490 3.517 0 40 FHAB CC(C)CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccn1 2380023 BDRVQEMFJKLJAO-DFBJGRDBSA-N 362.410 3.805 0 40 FHAB COCc1nc(C(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)cs1 84774050 GUNZOLRFJHVYJB-UHFFFAOYSA-N 373.356 3.519 0 40 FHAB CC(C)c1nc2oc3c(NC[C@@H](C)O)ncnc3c2c2c1COC(C)(C)C2 2435347 FWWTWJNFRBNIHJ-LLVKDONJSA-N 370.453 3.538 0 40 FHAB O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1cccc2cccnc12 2465272 ZGQQKHYTBYDPRV-UHFFFAOYSA-N 368.336 3.934 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1cc(=O)[nH]c2ccccc12 11461098 AODKOUCCHTUQRS-ZDUSSCGKSA-N 374.396 3.746 0 40 FHAB CCCCCCNC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 36703476 LAUOJDSTXRROCM-ONUXSRJRSA-N 360.542 3.890 0 40 FHAB CCS(=O)(=O)c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 11541741 IJCXLZSBBYYXRT-UHFFFAOYSA-N 356.447 3.533 0 40 FHAB CCOC(=O)c1sc2cccc(F)c2c1CSc1nc(C)n[nH]1 11705383 VOEAGLKVQNFJMW-UHFFFAOYSA-N 351.428 3.936 0 40 FHAB Cc1ccc(SCCC(=O)N2CC[C@H](C(N)=O)c3ccccc32)cc1C 89465368 ORXSTFYIHKEROM-SFHVURJKSA-N 368.502 3.791 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C)n2C)cc1 3507667 SOVMPQXAVXYKQA-UHFFFAOYSA-N 368.462 3.530 0 40 FHAB O=C(COC(=O)Cc1c(Cl)cccc1Cl)NCc1ccc(F)cc1 2660100 FRFVINZKOJGMLL-UHFFFAOYSA-N 370.207 3.535 0 40 FHAB COc1ccc(CNC(=O)[C@H](C)Oc2ccc(F)cc2Cl)cc1OC 12680074 ONQAMGDTLXSIBF-NSHDSACASA-N 367.804 3.580 0 40 FHAB CCC1(CC)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O 12623059 QOJGWJAIGBUJMP-UHFFFAOYSA-N 365.433 3.550 0 40 FHAB Cc1ccccc1-c1nnn(CC(=O)Nc2ccccc2-c2ccccc2)n1 3345591 QWVGXDXZGQVFLA-UHFFFAOYSA-N 369.428 3.954 0 40 FHAB CCC(CC)NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2 3580016 ODDYYYSBSKFKBM-CQSZACIVSA-N 368.477 3.821 0 40 FHAB COc1ccc(OCCN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 3533354 UCPTUNXBZOWIBF-UHFFFAOYSA-N 366.200 3.677 0 40 FHAB COc1ccc(F)cc1S(=O)(=O)N[C@@H](C)c1ccc(SC)cc1 20030065 MCRMCKXPQRFNEF-NSHDSACASA-N 355.456 3.596 0 40 FHAB C[C@@H]1CCC[C@@H](NC(=O)CSc2nnc(-c3ccccc3)n2C)[C@@H]1C 6140451 ZAMMALASRWSUMX-IIAWOOMASA-N 358.511 3.515 0 40 FHAB Cn1c(-c2ccncc2)nn(CN2CC=C(c3ccccc3)CC2)c1=S 6209106 SDYMHYQSSUNQBK-UHFFFAOYSA-N 363.490 3.760 0 40 FHAB C[C@@H]1CN(c2ccc(NC(=O)c3cc(Cl)c[nH]3)cc2F)C[C@@H](C)O1 65477250 STJXKJMGFAOXKC-GHMZBOCLSA-N 351.809 3.673 0 40 FHAB O=C(N[C@@H]1CCSc2c(F)cccc21)c1cncc(Br)c1 14197032 PGHPQGHYPCHACD-CYBMUJFWSA-N 367.243 3.950 0 40 FHAB CN(Cc1nc(-c2ccccc2)no1)C(=O)CCCOc1ccccc1 5429129 IRUMVHJTFNFHLQ-UHFFFAOYSA-N 351.406 3.554 0 40 FHAB CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc3c(c2)CCCC3)on1 5504862 BHKKCCMVNKQMLW-UHFFFAOYSA-N 356.422 3.646 0 40 FHAB COc1ccc(OCCC(=O)OCC(=O)c2cc(C)n(C3CC3)c2C)cc1 6600304 YXQPDBBZOSAEBA-UHFFFAOYSA-N 371.433 3.643 0 40 FHAB Cc1cc(C)n(CCc2nc3cc(NC(=O)CC(C)C)ccc3n2C)n1 6665318 AIBINPATVKQSEL-UHFFFAOYSA-N 353.470 3.614 0 40 FHAB COc1cccc(NCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1 4750056 XFQLDHHRYIDATP-UHFFFAOYSA-N 371.437 3.932 0 40 FHAB Cc1cccc(-n2ccc(=O)c(C(=O)Nc3ccccc3C(F)(F)F)n2)c1 6760653 UIAIAUMIGMTSFD-UHFFFAOYSA-N 373.334 3.812 0 40 FHAB O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)C1=COCCO1 9455035 QDLKMOGPJJJEDM-UHFFFAOYSA-N 354.387 3.915 0 40 FHAB Cc1occc1-c1nnc(S[C@H]2C[C@H](C)OC2=O)n1-c1ccccc1 9471146 RUQDQFGHSKWZFU-NHYWBVRUSA-N 355.419 3.632 0 40 FHAB Cc1ccccc1-n1c(=O)c2sccc2n(CCc2ccccc2)c1=O 67258025 SMLHKMWMOCNJDP-UHFFFAOYSA-N 362.454 3.765 0 40 FHAB Cc1ccc(C(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)s1 7282778 CQHLTXSRAPLDKH-UHFFFAOYSA-N 360.454 3.507 0 40 FHAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)c1ccc(C(C)(C)C)cc1)C2=O 9532885 XSCAVGNRMBDZPC-QKKBWIMNSA-N 356.466 3.668 0 40 FHAB CCOC(=O)c1ccc(NC(=O)COc2ccccc2OC)cc1Cl 20050600 HSXXGLLURGBIRT-UHFFFAOYSA-N 363.797 3.543 0 40 FHAB Cc1[nH]c2ccc(C(=O)NC[C@H](c3ccco3)N3CCCC3)cc2c1C 9515643 URFYXNKYMQJHFU-LJQANCHMSA-N 351.450 3.945 0 40 FHAB Ic1c[nH]c2nccc(OCc3ccccc3)c12 91297008 MDJCZFWKMPSCSL-UHFFFAOYSA-N 350.159 3.747 0 40 FHAB in-vitro Cc1cc(C)cc(NC(=O)CCC(=O)Nc2nnc(C(F)(F)F)s2)c1 17250329 KCHBIXAZEAVVIK-UHFFFAOYSA-N 372.372 3.531 0 40 FHAB COC[C@H](NC(=O)Nc1nn(-c2ccccc2Cl)cc1C)c1ccco1 92187786 POCDONDWHMBZHM-AWEZNQCLSA-N 374.828 3.936 0 40 FHAB CCCCCN1C(=O)S/C(=C\c2cc(OC)c(OC)cc2OC)C1=O 409209959 ITZIISHIFCARRS-YBEGLDIGSA-N 365.451 3.939 0 40 FHAB CCOc1ccc(NC(=O)c2n[nH]nc2Nc2cccc(Cl)c2)cc1 72333452 JHSSTKGZRJXHIG-UHFFFAOYSA-N 357.801 3.853 0 40 FHAB Cc1cccc([C@H](C)NC(=O)N2CCN(c3cccc(O)c3)CC2)c1C 115858655 JCLDBVLTNHNICO-KRWDZBQOSA-N 353.466 3.602 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1F 32585549 IPEXZQYLKCVIIQ-UHFFFAOYSA-N 350.198 3.942 0 40 FHAB NC(=O)c1cccc(-c2nccnc2[C@@H]2CCCN(Cc3ccccc3)C2)c1 72358355 AOIOYKJCYGNADW-HXUWFJFHSA-N 372.472 3.622 0 40 FHAB CN(c1cccc(Br)n1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 72203511 SNCNRIPXBZBOJC-LBPRGKRZSA-N 370.291 3.680 0 40 FHAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC[C@H](c2ccsc2)C1 675008326 RNOKPFDDEMJAMW-NSHDSACASA-N 361.410 3.945 0 40 FHAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1 75165202 QXFGIKKPYQQVGY-NSHDSACASA-N 364.327 3.590 0 40 FHAB C[C@H](N[C@@H](C)c1ccccc1Br)C(=O)NCc1ccccc1 40161191 VYDVINSLTKCAEF-KBPBESRZSA-N 361.283 3.805 0 40 FHAB Cn1ncc2ccc(CNCc3cc(Cl)c4c(c3)OCCCO4)cc21 569418985 JLJYENFYUFBCLB-UHFFFAOYSA-N 357.841 3.678 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1cccc(C)c1 223887694 HURMQAIJXJPRTM-KRWDZBQOSA-N 370.468 3.620 0 40 FHAB O=C(O)CCCCCNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 85344781 XEJLHLAMIGRZEN-UHFFFAOYSA-N 374.673 3.570 0 40 FHAB CCOc1ccc(C(=O)N2CCCC2)cc1COc1ccccc1OC 224579789 APASEQVXJLDESZ-UHFFFAOYSA-N 355.434 3.909 0 40 FHAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccccc1Cl 224415941 OORTZLPMBXVSPG-LBPRGKRZSA-N 354.233 3.956 0 40 FHAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cc(F)ccc2F)cc1O 40284411 AWGSZMGRJSUGGW-GFCCVEGCSA-N 371.343 3.988 0 40 FHAB CCO[C@@](C)(CC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 225816429 ZSFWTSSLEUITNX-YJYMSZOUSA-N 351.443 3.794 0 40 FHAB CCO[C@@]1(C(=O)Nc2ccc(OCCCN(C)C)cc2)CCC[C@@H](C)C1 225715558 PTJFQWOYIGMKLQ-UTKZUKDTSA-N 362.514 3.941 0 40 FHAB CCOc1ccc(C(=O)N2CCOCC2)cc1CSc1ccccc1 224655251 MCAMHTKLVSVHER-UHFFFAOYSA-N 357.475 3.850 0 40 FHAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)C(C)C 223057417 PENCTDRZVLKKRR-NRFANRHFSA-N 366.505 3.809 0 40 FHAB Cc1ccc(-c2cnc3n2CCN(C)C32CCN(CC3CC3)CC2)cc1 96037090 RZMCKRLXPRYYNZ-UHFFFAOYSA-N 350.510 3.505 0 40 FHAB COc1cccc(C[C@@H]2C(=O)Nc3ccc(Br)cc32)c1OC 95481392 FNDRGTPNMCKDMO-ZDUSSCGKSA-N 362.223 3.745 0 40 FHAB O=C(c1ccnnc1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257258341 KTKPRBICRGGQOR-GOSISDBHSA-N 366.396 3.562 0 40 FHAB C[C@H](O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@]4(C)C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 253617546 UUNZVNLAFCAUHR-QOCNMCLESA-N 350.543 3.892 0 40 FHAB Cc1cn(C)c([C@@H]2CCCN(C(=O)c3[nH]c4ccc(F)cc4c3C)C2)n1 257217466 CZBZWTAPWNMTEX-CQSZACIVSA-N 354.429 3.677 0 40 FHAB C[C@H]1CCCN(CCCNC(=O)[C@H](C)Oc2cccc3c2CCCC3)C1 260808153 GCDMCKIQVSPBQN-ROUUACIJSA-N 358.526 3.571 0 40 FHAB Cc1nnc(CN2CC(C)(C)[C@@H]2C2CCN(Cc3ccccc3)CC2)s1 664835779 HFMUDLQYRKSDHI-FQEVSTJZSA-N 370.566 3.969 0 40 FHAB C=CC(=O)Nc1ccc(O)c(C(=O)N(CCC)Cc2ccc(OC)cc2)c1 1171491672 VPULEBHMNADQHA-UHFFFAOYSA-N 368.433 3.578 0 40 FHAB O=C(NCCn1nc(-c2ccncc2)cc1C1CC1)c1c(F)cccc1F 96121650 XDGUVOFNHJLZFC-UHFFFAOYSA-N 368.387 3.531 0 40 FHAB O=S(=O)(NC1(c2cccs2)CCCC1)c1cccc2nsnc12 390826618 AWAMCNVSRDEPHR-UHFFFAOYSA-N 365.505 3.501 0 40 FHAB CS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(C3CCCCC3)cc2)CC1 669681219 XCFOQAXQVIJBLU-LJQANCHMSA-N 363.523 3.774 0 40 FHAB CC(C)c1nnc(C2CCN(C(=O)c3ccc(Br)o3)CC2)o1 44098624 LNFQQRJMCYPRBK-UHFFFAOYSA-N 368.231 3.568 0 40 FHAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2c(F)cccc2Cl)C1=O 7077866 YOVKTWIPIUOJQX-XSHGTHSTSA-N 371.817 3.857 0 40 FHAB CCc1nc2cc(NC(=O)c3c(-c4ccncc4)noc3C)ccc2n1C 12147366 YGTKVTDKWVTVQS-UHFFFAOYSA-N 361.405 3.746 0 40 FHAB CCCn1ncc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccccc2F)C3)c1C 12242238 GTRXGQLSHLSBRV-HTZLVSCSSA-N 357.473 3.755 0 40 FHAB CC1=NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2N1CC(C)C 15867686 ZKIVJFAELODQRE-UHFFFAOYSA-N 371.462 3.522 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@]12CCC(=O)N1c1ccccc1S2 17578570 QELKNSKLZXBYLO-GOSISDBHSA-N 374.849 3.916 0 40 FHAB CCCCc1c(C)nc2ccc(Br)cc2c1SC(N)N 19326469 APMUURRIHSFEEL-UHFFFAOYSA-N 354.317 3.941 0 40 FHAB C[C@H]1CN(c2ncc(-c3ccncc3)c(-c3cccs3)n2)C[C@H](C)O1 19497625 KQTKSGSIQHTIKL-KBPBESRZSA-N 352.463 3.881 0 40 FHAB CCn1c(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cnc1SC 19524181 YUXOGBZWGVUDIA-OAHLLOKOSA-N 355.511 3.881 0 40 FHAB CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCN(CC2CC2)C1 19529119 AUPQQKIFTYNACX-QHCPKHFHSA-N 363.505 3.529 0 40 FHAB Cc1ncsc1-c1nnc([C@H]2CCCN2C(=O)Cc2ccccc2F)o1 19562927 HHYGMGWPVOSNDD-CQSZACIVSA-N 372.425 3.547 0 40 FHAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C)c1cnn(C)c1C 19718279 YXWPKFITLHQWLF-SNVBAGLBSA-N 358.829 3.836 0 40 FHAB CCCCCC1=NN(C(=O)Cc2ccc(OC)cc2)[C@](O)(C(F)(F)F)C1 4903171 VSDZOKXXEAQKRW-QGZVFWFLSA-N 372.387 3.657 0 40 FHAB CCC(=O)N1CCC2(CCCCc3ccccc3OCCN(C)C2)CC1 643570779 RDYKGKBEPVKCOP-UHFFFAOYSA-N 358.526 3.742 0 40 FHAB Cc1ccc(C(=O)Nc2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)cn1 396165000 PFAPIFHIYOKPBB-UHFFFAOYSA-N 372.661 3.595 0 40 FHAB COc1cc2c(cc1OC)CN(Cn1c(SC)nc3ccccc31)CC2 25285894 CRMCRNOSWMZBTR-UHFFFAOYSA-N 369.490 3.791 0 40 FHAB CN(Cc1c(F)cccc1Cl)C(=O)c1cncc(Br)c1 6535455 XUAUAWAHJBPOJP-UHFFFAOYSA-N 357.610 3.909 0 40 FHAB COc1ccc(CCS(=O)(=O)N[C@H](C)Cc2cc3ccccc3o2)cc1 244986297 JOZDNHXGYWIZFQ-OAHLLOKOSA-N 373.474 3.535 0 40 FHAB CCCSc1nnc(CSc2ncccn2)n1-c1ccc(F)cc1 2706148 UCBXDICDYVXJGG-UHFFFAOYSA-N 361.471 3.991 0 40 FHAB CCOc1ccc([C@@H](CC(=O)O)NC(=O)[C@H](CC)c2ccccc2)cc1 3624694 SQHAZDASRNOZBN-RTBURBONSA-N 355.434 3.911 0 40 FHAB CC[C@]1(C)C[C@@](CCNC(=O)CCC(=O)O)(c2ccc(C)cc2)CCO1 4028937 JBKSUNPCAFGEPO-RTWAWAEBSA-N 361.482 3.583 0 40 FHAB biogenic COc1ccccc1-c1nnc(NC(=O)CCSc2ccccc2)o1 4276032 QPPRWLJSXIVZAX-UHFFFAOYSA-N 355.419 3.866 0 40 FHAB Cc1ccc(NC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)cc1F 5269015 GOBSFXHLUJBWHI-UHFFFAOYSA-N 354.356 3.736 0 40 FHAB CCCOc1ccc([C@H](O)[C@H](CN2CCOCC2)c2ccccc2)cc1 20790178 TVWLDXUMIAMJBJ-YADHBBJMSA-N 355.478 3.625 0 40 FHAB Cc1c(Cl)cccc1S(=O)(=O)NCC[C@@H](CCO)c1ccsc1 575605837 DVFBNHDQAXZGST-ZDUSSCGKSA-N 373.927 3.545 0 40 FHAB O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)C2CCCCC2)CC1 40122386 ZTPMFPDRBFAMAN-UHFFFAOYSA-N 369.292 3.858 0 40 FHAB C[C@@H]1CN(c2ccc(NC(=O)c3cc4cc(F)ccc4[nH]3)cn2)C[C@@H](C)O1 40154863 XBDOALDFTBSDHC-CHWSQXEVSA-N 368.412 3.568 0 40 FHAB CN(C)c1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 51364469 FFPAXTRQUWKDTJ-LJQANCHMSA-N 373.456 3.911 0 40 FHAB COc1cc(NC(=O)Cn2ccc3ccc(Cl)cc32)cc(OC)c1OC 32094168 VONCTFCNUPZKIN-UHFFFAOYSA-N 374.824 3.959 0 40 FHAB Cc1c(CC(=O)Nc2ccc3cc[nH]c3c2)c(=O)oc2c(C)c(O)ccc12 32124135 PIGZPJJAJABZLO-UHFFFAOYSA-N 362.385 3.778 0 40 FHAB biogenic O=C1C[C@H](C(=O)N2CCC[C@H]2c2cccs2)CN1c1ccccc1F 32674898 VDIIENDHQKOYOW-BBRMVZONSA-N 358.438 3.604 0 40 FHAB COc1ccc(Nc2ncnc3c2cnn3-c2ccccc2C)c(OC)c1 32620485 HODSBSNIYVGBJD-UHFFFAOYSA-N 361.405 3.885 0 40 FHAB Cc1ccc(/C=C/c2nc(SCCC(=O)Nc3ccccc3)n[nH]2)o1 32893524 RRYUDCZXICQMEM-MDZDMXLPSA-N 354.435 3.997 0 40 FHAB O=C(Nc1ccc(F)c(F)c1F)[C@@H]1CCCCN1C(=O)c1cccs1 32905818 GOXRNIUHDVFWAP-LBPRGKRZSA-N 368.380 3.799 0 40 FHAB C/C=C/c1ccc(OCC(=O)NC[C@H](C2CCCCC2)N(C)C)c(OC)c1 32926385 XGONHWFXMWMBTA-NTPDMAOXSA-N 374.525 3.734 0 40 FHAB Cc1noc(C)c1CSCC(=O)NCc1ccccc1OC(F)(F)F 22191768 GLUIQZSOQUAAGG-UHFFFAOYSA-N 374.384 3.740 0 40 FHAB C[C@H]1C(=O)Nc2ccc(C(=O)CSc3nc(-c4cccs4)n[nH]3)cc21 103319433 KBIGTUWRIALFOU-SECBINFHSA-N 370.459 3.564 0 40 FHAB C[C@H](NC(=O)[C@@H](C)Sc1nnc(N)s1)c1cccc2ccccc12 22738342 ZRTKDCAXJOJWFM-WDEREUQCSA-N 358.492 3.632 0 40 FHAB COc1cc2ncc(-c3nnnn3-c3ccc(C)cc3)c(C)c2cc1OC 982051 CQAZMBPZXCVRDL-UHFFFAOYSA-N 361.405 3.512 0 40 FHAB C[C@@H]1CCN(C(=O)COc2nnc(-c3ccccc3)o2)[C@H]2CCCC[C@@H]21 77243142 YMWWSMQBSOEULS-OIISXLGYSA-N 355.438 3.543 0 40 FHAB O=C(N[C@@H](c1cccs1)C1CCCC1)c1ccc(N2CCNC2=O)cc1 42940714 CVMXBEYYBCZMGP-GOSISDBHSA-N 369.490 3.939 0 40 FHAB O=C(CCc1ccccc1O)NCc1ccc(OCC(F)(F)F)cc1 22418112 JPMWWUPQWVWRLI-UHFFFAOYSA-N 353.340 3.582 0 40 FHAB O=C(NCc1ccco1)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1 1212808 NAWITYAGLFAURI-WJDWOHSUSA-N 370.792 3.613 0 40 FHAB O=S(=O)(c1ccc(F)cc1)N1CCS[C@H]1c1ccccc1Cl 2501351 SAEQDMFZWQJYGQ-HNNXBMFYSA-N 357.859 3.915 0 40 FHAB CCOC(=O)c1cnn(-c2nc(-c3cccnc3)cs2)c1C(F)(F)F 1384350 OLKVULXGLDYXCP-UHFFFAOYSA-N 368.340 3.586 0 40 FHAB CC[C@@H](NC(=O)C[C@@H]1C=CCC1)c1ccccc1OCC(=O)N1CCCC1 55596701 UOJOMZAMNUHWPZ-IEBWSBKVSA-N 370.493 3.611 0 40 FHAB O=C(Oc1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)c1cccs1 4553581 FQYXPXNMCLHVLW-LZDSYCOUSA-N 367.426 3.503 0 40 FHAB COc1ccc([C@H]2c3cc(OC)c(OC)cc3C[C@H]3COC[C@H]23)cc1OC 4782957 MNYFJOSGQNXLHS-YHEJKZAPSA-N 370.445 3.672 0 40 FHAB COc1ccc(NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccco2)cc1 4888018 QQCCGLWWFGZOMU-AYHJJNSGSA-N 369.465 3.995 0 40 FHAB O=C(NCc1ccccc1)c1ccc(C(=O)NCc2ccccc2)s1 1424092 YFQBPPQVZSAAHC-UHFFFAOYSA-N 350.443 3.608 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccoc3C)n2C)c1C 4947640 GHHHWNFUDRCWEN-UHFFFAOYSA-N 372.450 3.506 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1nc2ccc(NC(C)=O)cc2o1 6305027 JPCZODSACJIGHX-UHFFFAOYSA-N 359.769 3.701 0 40 FHAB Cc1cc(C)cc(NC(=O)CSc2nnc(C)n2-c2ccccc2)c1 6330471 VFABVFRTLMYDAB-UHFFFAOYSA-N 352.463 3.923 0 40 FHAB CN(C)C1(CNC(=O)c2c[nH]c(=S)n2-c2ccccc2)CCCCCC1 25443701 UNBUAPLTLGYDSQ-UHFFFAOYSA-N 372.538 3.919 0 40 FHAB CCOc1ccc(/C=C2\NC(=S)N(c3ccc(OCC)cc3)C2=O)cc1 6538205 CHDLEHZYNFGOJE-AQTBWJFISA-N 368.458 3.746 0 40 FHAB S=c1[nH]nc(-c2ccncc2)n1NCc1cccc(Br)c1 7601845 ZZBCTQQZVJUBTE-UHFFFAOYSA-N 362.256 3.509 0 40 FHAB COc1cc(F)c(S(=O)(=O)Nc2ccccc2C(C)C)cc1OC 26528548 GUHQALGDWHWTHO-UHFFFAOYSA-N 353.415 3.767 0 40 FHAB CCc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3OC)[nH]n2)cc1 57412841 DTKCADYRVMFRDC-UHFFFAOYSA-N 351.406 3.909 0 40 FHAB COc1cc(C(=O)NCCSc2ccc(C)cc2)cc(OC)c1OC 9888971 FDZRZGMTWFIBDH-UHFFFAOYSA-N 361.463 3.543 0 40 FHAB CC(C)(C)c1nnc(NC(=O)c2csc(NC3CCCC3)n2)s1 44921828 CNHMGOHVMCKIQN-UHFFFAOYSA-N 351.501 3.899 0 40 FHAB CC(=O)N1CCc2cc(C(=O)Nc3ccc(Br)cc3C)ccc21 58398738 PCDTUIKVDJLRPF-UHFFFAOYSA-N 373.250 3.919 0 40 FHAB O=C(CSc1nnc(COc2ccccc2)o1)Nc1ccccc1F 59200418 FTGPQRTZJSQKCK-UHFFFAOYSA-N 359.382 3.519 0 40 FHAB O=C(NCc1ccc(-n2cncn2)cc1)c1cc(F)c(Cl)cc1Cl 36393039 BFIZHPHMPZWOLO-UHFFFAOYSA-N 365.195 3.643 0 40 FHAB CCOc1ccc([C@@H]2C[C@@H](c3cccc(OC)c3)n3ncnc3N2)cc1 2409508 APALPPPIBSPXIW-OALUTQOASA-N 350.422 3.832 0 40 FHAB COc1ccc(O[C@H](C)C(=O)N[C@H](c2ccccc2)C(F)(F)F)cc1 59301639 AFXDERATUSUJTD-MLGOLLRUSA-N 353.340 3.882 0 40 FHAB CN(C(=O)c1cccs1)c1ccccc1C(=O)OCC(=O)C(C)(C)C 11490908 NLCKLIQFAPQDQU-UHFFFAOYSA-N 359.447 3.797 0 40 FHAB CC(C)N(C)Cc1ccccc1CNC(=O)N1CCc2sccc2C1 45789572 PPLUUDLEEOEFLH-UHFFFAOYSA-N 357.523 3.856 0 40 FHAB C[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1ccc(NC(N)=O)cc1 45834785 BLTAKVMBANGZEN-SECBINFHSA-N 352.221 3.975 0 40 FHAB CCCCc1ccc(N2C(=O)C[C@@H](Nc3ccc(OC)cc3)C2=O)cc1 104571549 UECPUDBGVHAYKP-LJQANCHMSA-N 352.434 3.782 0 40 FHAB Cc1ccnc(NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)c1 11700851 OKSAEIZEHGNAKN-UHFFFAOYSA-N 361.430 3.952 0 40 FHAB CCOc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1 11708897 SSTUQSLGPORMAL-HOTGVXAUSA-N 355.482 3.829 0 40 FHAB Nc1nccnc1C(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 11807467 VVFNMNMRYAVLJC-UHFFFAOYSA-N 363.402 3.713 0 40 FHAB Cc1c(C(=O)NCc2ccccc2Cl)nnn1-c1ccc(Cl)cc1 51318114 QABXMCVGTJIPIG-UHFFFAOYSA-N 361.232 3.813 0 40 FHAB CN(C)c1ccccc1NC(=O)c1ccc(NC(=O)c2ccccn2)cc1 47250329 NKUFALUVHSESID-UHFFFAOYSA-N 360.417 3.652 0 40 FHAB O=C1/C(=C\c2cccc(Br)c2)NC(=S)N1c1ccccc1 12376658 AIAAGBKUKPRENQ-GXDHUFHOSA-N 359.248 3.711 0 40 FHAB COc1ccc(CCCNC(=O)COc2ccc(C(C)C)cc2)cc1OC 65090690 LVRCHSGXYRZCMC-UHFFFAOYSA-N 371.477 3.955 0 40 FHAB Cc1ccccc1NC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 102682075 RSTFYUCCHONANF-SMOSDQRPSA-N 372.424 3.559 0 40 FHAB O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cc(Cl)cc(Cl)c1 3325801 PNMIZPVNVBJCBK-UHFFFAOYSA-N 360.218 3.565 0 40 FHAB CCCOc1ccc([C@@H](C)NC(=O)[C@@H]2COc3ccccc3C2)cc1OC 48355541 FPHAEALYYUQRBR-QAPCUYQASA-N 369.461 3.913 0 40 FHAB CCc1cc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)sc1C 72303276 OBISAWPTCZNHFW-KZNAEPCWSA-N 368.502 3.506 0 40 FHAB CCC(=O)Nc1ccc(C(=O)CSc2nc3ccc(OC)cc3[nH]2)cc1 3435443 UARAPGADVZEDKO-UHFFFAOYSA-N 369.446 3.895 0 40 FHAB O=S(=O)(NCc1ccccc1-n1ccnc1)c1ccc2ccccc2c1 20049067 UMEAXDMFXSABRB-UHFFFAOYSA-N 363.442 3.504 0 40 FHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2oc3ccccc3c2C)c1 5032085 OZWUZFKUDGPOLC-UHFFFAOYSA-N 367.357 3.567 0 40 FHAB CC(C)n1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1ccco1 13956304 SPHSXKBLBBCNTI-KBPBESRZSA-N 362.499 3.906 0 40 FHAB C[C@@H](NC(=O)CCNC(=O)c1ccccc1Cl)c1ccc(F)c(F)c1 14117733 DRNAXVRVJPPXOY-LLVKDONJSA-N 366.795 3.616 0 40 FHAB CCOc1ccc(N2C[C@H](c3nc(-c4ccccc4C)no3)CC2=O)cc1 9318610 HVXYIVSZQASCMV-OAHLLOKOSA-N 363.417 3.964 0 40 FHAB C[C@H](Sc1nnc(Cc2ccccc2)n1C)C(=O)c1ccc(F)cc1 5499586 LIEDPLFAVODLJX-ZDUSSCGKSA-N 355.438 3.909 0 40 FHAB Cc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)cc1 4610419 VONDPCRASXRTAW-UHFFFAOYSA-N 363.369 3.880 0 40 FHAB O=C(Cc1noc2ccccc12)Nc1ccccc1OCC(F)(F)F 14553982 LFCPANMJUSMSFA-UHFFFAOYSA-N 350.296 3.950 0 40 FHAB CN1C(=O)c2ccc(C(=O)Nc3ccc(-c4ccccc4)cc3)cc2C1=O 14824563 RPRMDYRNZUWRSA-UHFFFAOYSA-N 356.381 3.832 0 40 FHAB CN(C)c1ccc(NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)cc1 5710318 BHJKQLDVMSIONI-UHFFFAOYSA-N 354.450 3.846 0 40 FHAB COc1ccc2cc(CNC(=O)Cc3cnn(-c4ccccc4)c3)ccc2c1 14900230 LAAZCDBMKNUPHC-UHFFFAOYSA-N 371.440 3.893 0 40 FHAB Cc1ccccc1NC(=O)COc1ncnc2ccc(Br)cc12 6845444 IEHINZKNZJWDPP-UHFFFAOYSA-N 372.222 3.718 0 40 FHAB COc1cccc(-c2cc(=O)[nH]c(Nc3nc(C)c4cc(C)ccc4n3)n2)c1 9419129 JYXQUDZVPBFYTP-UHFFFAOYSA-N 373.416 3.749 0 40 FHAB O=S(=O)(NCCC1=CCCCC1)c1ccc(Br)s1 7376290 YXQWWHDLLBNFQJ-UHFFFAOYSA-N 350.303 3.679 0 40 FHAB CCCN(C(=O)c1cccc(Oc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 7406115 CCXCUDNOUCBFFD-QGZVFWFLSA-N 373.474 3.518 0 40 FHAB O=C(COc1ccccc1Cc1ccccc1)NCc1cn2ccccc2n1 7799002 ARDAHDBXSAKVHM-UHFFFAOYSA-N 371.440 3.620 0 40 FHAB CCOc1ccc(CN(C)C(=O)/C=C/c2ccc(C(=O)OC)cc2)cc1 68751832 SLASAKJFIMOHAJ-NTEUORMPSA-N 353.418 3.544 0 40 FHAB Cc1nnc(NC(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)o1 7989690 MQZFEEKYRUKVJA-UHFFFAOYSA-N 373.825 3.993 0 40 FHAB CC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCSc3c(F)cccc32)c1 16736178 QGJXZNSRHYUSJY-MRXNPFEDSA-N 365.451 3.544 0 40 FHAB Clc1ccc(Cl)c(-c2ccc(CNCCN3CCOCC3)o2)c1 19990561 UAVDJJKEKOCTGN-UHFFFAOYSA-N 355.265 3.675 0 40 FHAB C[C@H]1CC[C@@H]2C(=O)N(c3ccccc3OC(=O)c3ccccc3)C(=O)[C@@H]2C1 18247221 UZWHLOJRFBMUGX-BHYGNILZSA-N 363.413 3.831 0 40 FHAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H](Cc1ccccc1)C(=O)O 62715023 CHUZYRRQOAUCAT-MNDMWVCDSA-N 364.228 3.819 0 40 FHAB O=C(CCCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(Cl)cn1 31702263 VKMJSUZBLUUIEW-UHFFFAOYSA-N 360.776 3.886 0 40 FHAB O=C(Nc1ccc(O)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 32103179 RHPUFNSZIXZMEG-SNVBAGLBSA-N 365.216 3.691 0 40 FHAB COC(=O)/C=C/c1ccc(-c2cccc(I)c2)o1 216872999 VMDRHTNDNJIUPF-SOFGYWHQSA-N 354.143 3.737 0 40 FHAB O=C1NC[C@]2(CCCN(Cc3c(F)cccc3Cl)C2)Oc2ccccc21 72328093 OMBFAIFFUWWBPL-FQEVSTJZSA-N 374.843 3.636 0 40 FHAB CC(C)c1nccn1-c1cccc([C@H]2CCCN2C(=O)c2cccnc2)n1 72378874 XTYJJZCMDWYVAG-GOSISDBHSA-N 361.449 3.763 0 40 FHAB COc1ccccc1Oc1cncc([C@@H]2CCCN2C2CCOCC2)n1 72384264 WFWYYZOHFXTYCF-KRWDZBQOSA-N 355.438 3.593 0 40 FHAB OC1=Nc2[nH]ncc2[C@@H](c2ccccc2OCc2ccccn2)SC1 79482680 KFPPZXUVBMTZEU-QGZVFWFLSA-N 352.419 3.808 0 40 FHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c(C)c1C 223254362 BTEKOLSYTURBDP-HNNXBMFYSA-N 359.491 3.840 0 40 FHAB O=C(c1cc(-c2ccccc2)on1)N1CCN(C/C=C/c2ccccc2)CC1 41130690 UZIVJNYNCDPFSM-JXMROGBWSA-N 373.456 3.813 0 40 FHAB CCCOC1(C(=O)Nc2ccc(OCCOC)nc2)CCCCCC1 225910064 WIGVAGDEAVRUBH-UHFFFAOYSA-N 350.459 3.565 0 40 FHAB C[C@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc2c(c1)OCO2 225739673 BDXHBQGVVHOZRK-AWEZNQCLSA-N 369.490 3.543 0 40 FHAB Cc1ccc(NC(=O)CCNC(=O)c2ccc3nc(Cl)oc3c2)cc1 225979292 SMWNDGHTWKGAPZ-UHFFFAOYSA-N 357.797 3.548 0 40 FHAB Cc1cc(C)cc([C@@H]2CCC[C@H]2NC(=O)c2cccc3c2OCC(=O)N3)c1 585083401 LGHSMUVAPUZCLE-FUHWJXTLSA-N 364.445 3.700 0 40 FHAB Cc1ccc(OCC2(O)CCN(Cc3ccc4[nH]cnc4c3)CC2)c(C)c1 257233535 GPQHZRAQJDZASO-UHFFFAOYSA-N 365.477 3.586 0 40 FHAB O=C(CC1CCOCC1)N1CCC[C@H](Cc2cnc3ccccc3c2)C1 257323063 WIOZUPVCTFVRHK-GOSISDBHSA-N 352.478 3.833 0 40 FHAB C[C@@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN1C(=O)c1ccncc1 257219827 DIIDKZPEMDGPPM-NRFANRHFSA-N 365.408 3.951 0 40 FHAB CCn1cc(CN2CC3(CO[C@@H]4c5ccccc5OC(C)(C)[C@H]4C3)C2)cn1 257325757 WUGZXXVJTLRSRR-AZUAARDMSA-N 367.493 3.654 0 40 FHAB Cc1cncc(C(=O)N2CCC[C@H]2c2nccnc2Nc2cccc(C)n2)c1 257240310 HSZBFAUPSXSNQF-KRWDZBQOSA-N 374.448 3.604 0 40 FHAB O=C(NCc1ccc(N=c2cc[nH]cc2)cc1)c1ccccc1OCC1CC1 1168513254 PQEJWUMCXYGXAE-UHFFFAOYSA-N 373.456 3.966 0 40 FHAB C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCS[C@@H](c2ccccc2)C1 605154919 DKAPSXOLEXXMHW-OXJNMPFZSA-N 372.509 3.963 0 40 FHAB O=C(N[C@@H]1C[C@@H]1Nc1nc(C(F)(F)F)nc2ccccc12)c1ccccc1 1775988480 HPZYSGBPNNKULF-LSDHHAIUSA-N 372.350 3.631 0 40 FHAB CCc1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1 90607756 KILDGJVCRQSMJJ-UHFFFAOYSA-N 373.409 3.771 0 40 FHAB CCCC(CCC)N1CC[C@H](O)[C@@](O)(COc2c(C)ccc(C)c2C)C1 585285882 DONMBHUPWAHSAK-UNMCSNQZSA-N 363.542 3.757 0 40 FHAB COc1ccc(C2(NC(=O)[C@H]3CC(=O)Nc4ccccc43)CCCC2)cc1 67726685 QQPUPJMYICVPLT-SFHVURJKSA-N 364.445 3.707 0 40 FHAB C[C@H]1CCN(CCN2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)C1 75109084 ZNHZFVOVQUKJKH-SUMWQHHRSA-N 370.324 3.738 0 40 FHAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3O)n[nH]2)cc1Cl 5518713 DBWFUMOJDYRLMT-UHFFFAOYSA-N 374.853 3.870 0 40 FHAB COc1ccc(Cc2nnc(NC(=O)c3cccc(C)c3)s2)cc1OC 5548003 MULDVCDZSWWYFD-UHFFFAOYSA-N 369.446 3.707 0 40 FHAB O=C1N/C(=C\c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccccc1F 5649780 YBUGFHWHIJWZNO-DHDCSXOGSA-N 364.298 3.937 0 40 FHAB O=C(N[C@H](Cc1ccccc1)c1n[nH]c2ncccc12)c1ccccc1F 12088222 CIFGWAGODFXECT-GOSISDBHSA-N 360.392 3.811 0 40 FHAB Oc1cc(-c2ccncc2)nc([C@H]2CCCN(CCc3ccccc3)C2)n1 12256677 WYKHNBKYDAKDCP-IBGZPJMESA-N 360.461 3.666 0 40 FHAB Cc1cc(C)c2c(=O)cc(CSc3nnc(CC(C)C)n3C)[nH]c2c1 15865286 HUKWLTCAQIWWEA-UHFFFAOYSA-N 356.495 3.764 0 40 FHAB Fc1ccc(-n2cc(CN(Cc3ccccn3)C[C@H]3CCCO3)cn2)cc1 19401423 XTPNAPYIEQASPP-OAQYLSRUSA-N 366.440 3.588 0 40 FHAB CCOc1cc2c(cc1OCC)[C@H](c1cccc(C(=O)OC)c1)NCC2 19848568 VWFUWNNXMVYIRQ-FQEVSTJZSA-N 355.434 3.506 0 40 FHAB O=C(CCSc1ccccc1)NCC1CCN([C@@H]2CCSC2)CC1 225569907 YUPMFXIKMZFOLK-QGZVFWFLSA-N 364.580 3.503 0 40 FHAB O=C(CCc1ccccc1)N1CCN(Cc2nc3ccccc3s2)CC1 15699002 SADROQXGTXBPEU-UHFFFAOYSA-N 365.502 3.573 0 40 FHAB O=S(=O)(N[C@@H]1CCC[C@H]1Cc1ccccc1)c1cccc2scnc12 1654256696 HXHOYVDRMGYOPI-JKSUJKDBSA-N 372.515 3.986 0 40 FHAB COc1ccc2oc(C(=O)OCC(=O)Nc3cccnc3Cl)c(C)c2c1 4524705 AKLZBWAQIJLHCE-UHFFFAOYSA-N 374.780 3.594 0 40 FHAB COc1ccccc1NC(=O)[C@H](C)OC(=O)CCSc1ccccc1 5991123 RWJJCFQHTKBMKG-AWEZNQCLSA-N 359.447 3.748 0 40 FHAB COc1ccccc1C(=O)NCc1ccc(-c2nc3cnccc3o2)cc1 32093640 JJMHURBHKWQTBX-UHFFFAOYSA-N 359.385 3.828 0 40 FHAB CCN(CC)C(=O)CSc1nc2ccccc2n1C(=O)OCC(C)C 1064823 XDHMYBVLFBLFFV-UHFFFAOYSA-N 363.483 3.638 0 40 FHAB CC(C)Sc1nnc(CSc2ncccn2)n1-c1ccc(F)cc1 2706150 NNMRZCOLSWNSTR-UHFFFAOYSA-N 361.471 3.989 0 40 FHAB O=C(CCc1ccccc1)NCCCCN1CCO[C@@H](c2ccccc2)C1 36700071 PDUIRHSMEPTQDK-JOCHJYFZSA-N 366.505 3.589 0 40 FHAB O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 40071880 CQNDASPZIHQEDN-LBPRGKRZSA-N 370.261 3.693 0 40 FHAB CCC[C@H](NC(=O)COc1ccc2c(c1)CCC(=O)N2)c1ccccc1 40050300 VIWZNYQFRHIWCI-SFHVURJKSA-N 352.434 3.608 0 40 FHAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@@H]1CCCN(c2cnccn2)C1 40063384 RPHKTKVCHLTNEZ-GOSISDBHSA-N 366.509 3.649 0 40 FHAB O=C(COc1ccccc1CNCC1(c2ccccc2)CC1)N1CCCC1 30637561 GGWPTAHAPKQIRU-UHFFFAOYSA-N 364.489 3.509 0 40 FHAB O=C(c1cc(Br)ccc1F)N1CCO[C@@H](c2ccccc2)C1 30768337 HDUDPEPTMOJMFY-MRXNPFEDSA-N 364.214 3.802 0 40 FHAB CC(=O)Nc1cccc(Nc2nnc(SCc3cccnc3)s2)c1 32779006 RBSXLBDUOYTUSO-UHFFFAOYSA-N 357.464 3.927 0 40 FHAB Cc1ccc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1F 52467088 BWCMVJDANNEKOL-UHFFFAOYSA-N 355.438 3.706 0 40 FHAB Cc1nn(C)c(C)c1C(=O)C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 32809520 VIKAZROWLYMHOU-UHFFFAOYSA-N 363.845 3.547 0 40 FHAB O=C(NCc1ccccc1Cl)C12C[C@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 102833373 SXQXWVKAMWDDJT-SNEKZUEESA-N 370.884 3.543 0 40 FHAB O=C(O)CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cccs1 869005 WOFDVMZHISOGRV-CQSZACIVSA-N 362.838 3.944 0 40 FHAB COc1ccc(-c2nnc(SCC(=O)N[C@@H]3CCCC[C@H]3C)o2)cc1 802440 XTNGTGYWVHUUKA-IUODEOHRSA-N 361.467 3.532 0 40 FHAB CCN1CCN(c2ccc(NC(=O)c3cccc(OC)c3)cc2Cl)CC1 809771 VEXGIJYRQXXRND-UHFFFAOYSA-N 373.884 3.743 0 40 FHAB COc1cc(C(=O)Nc2ccnn2Cc2ccccc2)cc(Cl)c1OC 23141403 CNHCRDGTAMZDGG-UHFFFAOYSA-N 371.824 3.854 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)Cc1ccc2c(c1)CCCC2)c1ccccc1 23774865 JSTOUNAXMHTCQL-QFIPXVFZSA-N 359.473 3.747 0 40 FHAB CCOC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC(C)C 663946 QBSWGSSKAJNSFN-UHFFFAOYSA-N 353.875 3.910 0 40 FHAB CCn1c(SCC(=O)Nc2cccc(Cl)c2)nc2ccccc2c1=O 905587 ZVWBUJQDJNMXKB-UHFFFAOYSA-N 373.865 3.801 0 40 FHAB COc1ccc(F)cc1S(=O)(=O)Nc1ccc(Cc2ccncc2)cc1 1068771 JUZWSJNPFJLSRS-UHFFFAOYSA-N 372.421 3.621 0 40 FHAB CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccccc1N 1364500 ZOAHQSDUHKBSEG-UHFFFAOYSA-N 367.478 3.586 0 40 FHAB O=C1c2cccc3c(NCCO)ccc(c23)C(=O)N1c1ccc(Cl)cc1 2023555 VWCJIHWNVILPMW-UHFFFAOYSA-N 366.804 3.698 0 40 FHAB CCCCNCCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 2075044 NCIPIAZJBCRONS-UHFFFAOYSA-N 352.500 3.522 0 40 FHAB Nc1nc(NC(=O)C(Cl)=C(Cl)Cl)cc(-c2ccc(F)cc2)n1 2153676 BLWRXKSTKKJWMY-UHFFFAOYSA-N 361.591 3.689 0 40 FHAB O=C(Cc1ccc(Cl)cc1Cl)OCC(=O)N1CCc2ccccc21 3216329 NOVFXXAZTYMJNT-UHFFFAOYSA-N 364.228 3.668 0 40 FHAB CCOC(=O)c1c(NC(=O)CN2CCc3ccccc32)sc(C)c1CC 3285845 DZYQAIGLNDUIPP-UHFFFAOYSA-N 372.490 3.797 0 40 FHAB Cc1ccc(-n2c(S[C@H]3CCOC3=O)nnc2-c2ccccc2)cc1C 3319872 LZHDXUAGGCOITQ-KRWDZBQOSA-N 365.458 3.959 0 40 FHAB CCC[C@@H](C)c1c(O)nc(Nc2nc(C)c3cc(C)ccc3n2)[nH]c1=O 3984846 KFESFABTPCUDDB-LLVKDONJSA-N 353.426 3.683 0 40 FHAB biogenic Cc1cccn2c(=O)c3cc(C(=O)N[C@H]4CCC[C@@H](C)[C@@H]4C)sc3nc12 4148739 LCDBOTKYKDTHSM-ZLDLUXBVSA-N 369.490 3.772 0 40 FHAB Cc1cc(C)n2nc(S[C@@H](C)C(=O)c3ccc4c(c3)CCC4)nc2n1 4313193 PAORRXWOQWEYAO-ZDUSSCGKSA-N 352.463 3.593 0 40 FHAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2C)C1 4385156 ZMCFIIRVXVUOAY-MRXNPFEDSA-N 352.434 3.694 0 40 FHAB CC[C@H](C)n1nc(NC(=O)CCC(=O)O)c2cc3cc(C)ccc3nc21 4502258 FUXXEHOVFXHGBZ-LBPRGKRZSA-N 354.410 3.667 0 40 FHAB COc1cccc2cc(C(=O)NCC34CC5CC(CC(C5)C3)C4)c(=O)oc12 4581004 UQWMMIIYXIFLLS-UHFFFAOYSA-N 367.445 3.748 0 40 FHAB CC(C)(C)C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=O)Nc1cccc(F)c1 4888235 CXFPZIGACJRKBI-ALOPSCKCSA-N 361.461 3.905 0 40 FHAB COc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cn1 4970453 QYSLYXXSBHWSBN-UHFFFAOYSA-N 354.859 3.842 0 40 FHAB Cc1ccc(-n2c(C)nc3c(cnn3-c3ccccc3Cl)c2=O)cc1 4971941 KGYPNMISSUUKNH-UHFFFAOYSA-N 350.809 3.842 0 40 FHAB COc1ccc([C@H]2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)OC3)cc1 5323435 RSURGDTWZVZMOP-MRXNPFEDSA-N 369.804 3.680 0 40 FHAB COc1ccc(C(=O)COC(=O)c2ccc3c(c2)CCCC3)c(OC)c1 5504537 ILSKZPLRSHGEDI-UHFFFAOYSA-N 354.402 3.622 0 40 FHAB O=C(O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 5571694 AIMPAJQRVKUBCJ-UHFFFAOYSA-N 369.229 3.818 0 40 FHAB NS(=O)(=O)c1ccc(NC(=O)N(c2ccccc2)c2ccccc2)cc1 5774111 NSWIQAFVALANTF-UHFFFAOYSA-N 367.430 3.704 0 40 FHAB CCOc1cc2c(cc1CNC(=O)COc1ccc(C)c(C)c1)O[C@H](C)C2 6654516 HWHHFLUYPRLADW-MRXNPFEDSA-N 369.461 3.721 0 40 FHAB O=C(CCn1c(=O)oc2ccc(Cl)cc21)Nc1cccc(Cl)c1 6759519 ZYBRQQFINLPAPV-UHFFFAOYSA-N 351.189 3.930 0 40 FHAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(COc2ccccc2)cc1 6887025 BUDDEJUAXALNPM-UHFFFAOYSA-N 361.397 3.924 0 40 FHAB CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccncc2)o1 7016125 ZZLQOWBNWOVQSH-UHFFFAOYSA-N 368.462 3.661 0 40 FHAB Cc1csc(=O)n1CC(=O)NCCC(c1ccccc1)c1ccccc1 7060922 PVEZKXIERJDWSQ-UHFFFAOYSA-N 366.486 3.557 0 40 FHAB C[C@@H](OC(=O)[C@@H]1COc2ccccc2O1)C(=O)c1ccc(C(C)(C)C)cc1 7159319 JSAILPGWCXNFMD-KUHUBIRLSA-N 368.429 3.939 0 40 FHAB O=C(CSc1nnc(C2CC2)n1C1CC1)N[C@H]1CCCc2ccccc21 7191905 WSFCWFLSLHCAAZ-KRWDZBQOSA-N 368.506 3.776 0 40 FHAB Cc1ccc(SCCC(=O)Nc2cccc(S(C)(=O)=O)c2)cc1C 7944124 CMQSJEMHCBGAHI-UHFFFAOYSA-N 363.504 3.828 0 40 FHAB C[C@H](OC(=O)c1cccc2c1O[C@H](C)[C@H]2C)C(=O)NCc1ccc(F)cc1 8484903 IRBWDEQJIYBAIQ-MCIONIFRSA-N 371.408 3.572 0 40 FHAB O=C1C[C@@H](c2cccs2)Cc2nc3nc(-c4ccc(F)cc4)nn3cc21 8570247 CIFISHHRALGWLY-LBPRGKRZSA-N 364.405 3.905 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OCO2 9112131 FSJWVTKJHOOVEG-LLVKDONJSA-N 363.797 3.792 0 40 FHAB COc1ccccc1Cc1nnc(NC(=O)CCc2ccccc2)s1 9426483 UXMOLXSKQUDGBB-UHFFFAOYSA-N 353.447 3.709 0 40 FHAB COc1cccc(NC(=O)Cn2c(-c3nnc(C)o3)cc3ccccc32)c1 9573815 KNWKDPUXJUNKEJ-UHFFFAOYSA-N 362.389 3.647 0 40 FHAB COc1cccc(C(=O)N(C(=O)N2CCCCC2)c2ccccc2)c1OC 10254448 HJEIVZGWPZOBNN-UHFFFAOYSA-N 368.433 3.957 0 40 FHAB O=C(CCc1ccc(-c2ccccc2)o1)N1CCN(c2nccs2)CC1 10269795 ATMMJDYCUUORNY-UHFFFAOYSA-N 367.474 3.685 0 40 FHAB CCc1ccccc1NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10328205 YEVUPYPGSHVGPR-MRXNPFEDSA-N 374.506 3.659 0 40 FHAB Cc1cc(N[C@@H](C)C(=O)Nc2ccccc2F)ccc1N1CCCC1=O 10745928 TVXPIHIZIRACFF-AWEZNQCLSA-N 355.413 3.700 0 40 FHAB Cc1cc(C(=O)N2CCC[C@H](c3nc(-c4cccnc4)no3)C2)cs1 12188780 CRGLHQJWXMPKMX-AWEZNQCLSA-N 354.435 3.521 0 40 FHAB Cc1nc(C)c(C(=O)OCc2nc(N)c3c4c(sc3n2)CCCC4)s1 12534132 OQEGFVHRPRBQBG-UHFFFAOYSA-N 374.491 3.583 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)N1CCC[C@H]1c1nc2ccccc2[nH]1 12581146 PFRORXYPEHRMBN-KRWDZBQOSA-N 363.417 3.588 0 40 FHAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1ccc(N2CCOCC2)cc1 12602137 ANIQXWJGQDSJKQ-QMMLZNLJSA-N 374.525 3.939 0 40 FHAB COc1ccc(Cl)cc1C(=O)NCc1ccc(Cn2cccn2)cc1 12625519 QMBSLJUYWJKHFK-UHFFFAOYSA-N 355.825 3.523 0 40 FHAB CC(C)c1ccc(OCC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 12737911 GPOKLVYFGWESPE-INIZCTEOSA-N 364.449 3.647 0 40 FHAB Cc1cccc(Cc2cnc(NC(=O)[C@@H](C)NC(=O)C(C)(C)C)s2)c1 12752604 GCBNLHJQRZHTAE-CYBMUJFWSA-N 359.495 3.532 0 40 FHAB CC(C)n1ncc2cc(C(=O)NCc3ccc(OC(F)F)cc3)cnc21 12776390 OTWGFVDDXKTPPX-UHFFFAOYSA-N 360.364 3.544 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(NC(=O)C3CC3)cc2)c1 12901356 KMMPZBHVIGSMQA-ZDUSSCGKSA-N 368.433 3.543 0 40 FHAB O=c1/c(=C/C=C/c2ccccc2)sc2nc(-c3cccc(Cl)c3)nn12 13514015 UFZQUMWYIAJWMM-MAHQCVNESA-N 365.845 3.684 0 40 FHAB CN(C)CCCn1c([C@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21 14094749 MWFUZMUCRNDLGV-KRWDZBQOSA-N 362.477 3.509 0 40 FHAB O=C(COc1cccc2cccnc12)N[C@H]1CCSc2ccccc21 14171441 WPDFTQNDIHBGNX-INIZCTEOSA-N 350.443 3.967 0 40 FHAB CCCc1n[nH]c(=S)n1CC(=O)Nc1ncc(Cc2ccccc2)s1 14227492 OUKUNJFFJHPKDS-UHFFFAOYSA-N 373.507 3.579 0 40 FHAB CCCc1nnc(-c2cc3ccccc3n2CC(=O)N2CCCCC2)o1 15881424 GVUYHHAFDQJOSG-UHFFFAOYSA-N 352.438 3.656 0 40 FHAB Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2nnc(C(C)C)s2)cc1 15935698 BHMOJJUNMRZCGZ-CQSZACIVSA-N 373.482 3.605 0 40 FHAB COc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 16029861 IBBWNQMMLXJTJV-INIZCTEOSA-N 360.413 3.840 0 40 FHAB Brc1ccc(CSc2nnnn2Cc2ccccc2)cc1 16446963 HMJCXRACIGXRFB-UHFFFAOYSA-N 361.268 3.776 0 40 FHAB CCOc1ccc(N2C3=[N+](CCCCC3)C[C@@]2(O)c2ccc(F)cc2)cc1 16852097 CQUPXTNMZHFTLZ-JOCHJYFZSA-N 369.460 3.875 0 40 FHAB Oc1nc(CSc2nc3ccccc3[nH]2)nc2c1cnn2-c1ccccc1 18032590 BZMUPRDSDRGONW-UHFFFAOYSA-N 374.429 3.690 0 40 FHAB COc1ccc(Cc2cnc(NC(=O)c3ccnn3C(F)F)s2)cc1 19555982 NFQRHSVDZVCVAU-UHFFFAOYSA-N 364.377 3.586 0 40 FHAB Cc1nc([C@@H]2CCCN2C(=O)C2CCCC2)[nH]c(=O)c1Cc1ccccc1 19579183 XVXYVIMNXSGWJO-IBGZPJMESA-N 365.477 3.523 0 40 FHAB Cc1ncc2c(c1-c1noc(-c3scc4c3CCCC4)n1)CCNC2 20201082 KAABSVZQXNAHDE-UHFFFAOYSA-N 352.463 3.693 0 40 FHAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(CN2CCCC2=O)cc1 20461004 SETSDCVYKFQQQS-UHFFFAOYSA-N 352.478 3.508 0 40 FHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Br)cn1 21001839 SGMLGHGPBRVNGZ-SECBINFHSA-N 355.619 3.904 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)O[C@@H](C)C(=O)N1CCCCCC1 22069314 SDKOQVOPINXJJG-AWEZNQCLSA-N 358.413 3.630 0 40 FHAB Brc1cc2c(cc1CSc1nc(C3CC3)n[nH]1)OCCO2 22328424 OEFXUJNZRDLCFE-UHFFFAOYSA-N 368.256 3.508 0 40 FHAB CC(C)c1c(C(=O)N2C[C@H](C)O[C@H](C)C2)cnn1-c1cccc(Cl)c1 23108304 MBQBQXDCTWZXCL-OKILXGFUSA-N 361.873 3.899 0 40 FHAB O=C(NCC(F)(F)F)C1CCN(c2cc3ccccc3c(Cl)n2)CC1 23145567 HVHLDILFNGAMLH-UHFFFAOYSA-N 371.790 3.783 0 40 FHAB COc1cccc(N2C[C@H](C(=O)Nc3ccc4ccccc4c3)CC2=O)c1 24834450 DPWFNKRZAKRVPC-QGZVFWFLSA-N 360.413 3.840 0 40 FHAB Cc1ccc(-c2noc(CSc3nnc(-c4ccncc4)o3)n2)cc1 25114929 NJIRWHSLWAYWRZ-UHFFFAOYSA-N 351.391 3.782 0 40 FHAB Cc1ccc(C)c(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)c1 25249872 JDEMHSNNLAIQFW-UHFFFAOYSA-N 351.450 3.645 0 40 FHAB CN(C)[C@@H](CNC(=O)c1ccc(Br)cc1F)c1ccsc1 25331231 QGMNWMZFDASUSL-AWEZNQCLSA-N 371.275 3.682 0 40 FHAB C[C@@H](NC(=S)Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCOCC1 25514839 KCXCDPAATICFIF-BEFAXECRSA-N 373.497 3.574 0 40 FHAB Cn1cnc(S(=O)(=O)Oc2ccc(Cl)c3ccccc23)c1Cl 27937799 MESDLMIGXPDTHZ-UHFFFAOYSA-N 357.218 3.648 0 40 FHAB Cc1cc(C)c(-c2csc(NC(=O)[C@@H]3CC(=O)N(C4CC4)C3)n2)cc1C 29573880 SVJOFOHOSLANBU-CQSZACIVSA-N 369.490 3.685 0 40 FHAB O=C(Nc1nc2c(s1)CCC2)c1cnn(-c2ccccc2)c1C1CC1 32765744 IVAHYCAWELZEFM-UHFFFAOYSA-N 350.447 3.947 0 40 FHAB O=C(Cc1ccc(F)cc1)OCC(=O)c1ccc(Br)s1 32797550 RGMZBQGWBVWDDT-UHFFFAOYSA-N 357.200 3.618 0 40 FHAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1ccccc1C(C)C 32904791 RBHKGLYIPXVEGC-UHFFFAOYSA-N 372.490 3.811 0 40 FHAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3C(=O)N(C)C)cs2)o1 33173389 AVDMELOJRKPCPX-UHFFFAOYSA-N 355.419 3.666 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)c2ccc3c(c2)CCN3C(C)=O)c1 33231523 NIHPLQMYDAQHFH-UHFFFAOYSA-N 368.433 3.645 0 40 FHAB CCc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)NCc2ccccc2)C1 35314803 JDAFVRQZCAPRDM-LJQANCHMSA-N 365.477 3.809 0 40 FHAB Cc1ccn(-c2ccc(C(=O)Nc3cc4c(cc3Cl)OCCO4)cc2)n1 36396778 QJVZICHOWVQSEL-UHFFFAOYSA-N 369.808 3.858 0 40 FHAB C[C@@H](CCN1CC[C@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1)c1ccccc1 36719528 NBDFZZHBQPJTOU-HKUYNNGSSA-N 374.488 3.815 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 38753111 YYGVCJDBVQJRLY-SJLPKXTDSA-N 371.477 3.971 0 40 FHAB Cc1ccc(N(Cc2ccco2)C(=O)C2CCN(C(=O)C3CC3)CC2)cc1 39975946 HLIFOJXRRSLESI-UHFFFAOYSA-N 366.461 3.770 0 40 FHAB COC(=O)c1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)cc1 40268061 SFRLTGBKBVYXAH-INIZCTEOSA-N 365.364 3.922 0 40 FHAB Cc1cccc(/C=C/C(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1 41986335 HPNHGXKFCKBGJN-GFOMBABLSA-N 354.494 3.505 0 40 FHAB CC(C)Oc1ccc(CNC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1 42646701 NCJIYIHDCDZXJE-UHFFFAOYSA-N 354.450 3.852 0 40 FHAB Cc1ccc(CN(CCCn2ccnc2)Cc2cnc(C(C)C)nc2)o1 43277767 VZKVIUUTJXBKOW-UHFFFAOYSA-N 353.470 3.790 0 40 FHAB Cc1cc(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)c2c(C)nn(C)c2n1 44621252 FYXYGAKTXXBWCD-LLVKDONJSA-N 374.391 3.678 0 40 FHAB CC(C)CN1CCC(NC(=O)N[C@@H](C)Cc2ccccc2Cl)CC1 45463491 HMNFCEUMSMUOBC-HNNXBMFYSA-N 351.922 3.691 0 40 FHAB C[C@@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccc(NC(N)=O)cc1 45782782 RISZEHQGQGRCQO-SECBINFHSA-N 352.221 3.975 0 40 FHAB Cc1ccc(-c2nc(Cn3c(NC[C@@H](C)O)nc4ccccc43)cs2)o1 47369982 BDNYIVXQETVKPT-GFCCVEGCSA-N 368.462 3.902 0 40 FHAB CSc1cc(C(=O)CSc2nncn2C(C)C)ccc1NC(C)=O 48356019 ZQPHFWCJTHFWDI-UHFFFAOYSA-N 364.496 3.514 0 40 FHAB CC(C)(C)c1cnc(CN2CCC(NC(=O)Nc3ccccc3)CC2)o1 55032545 QYFGGLDRLJZWLE-UHFFFAOYSA-N 356.470 3.758 0 40 FHAB CCN(CC)c1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cn1 57516723 NLJCITZHWSWLAQ-UHFFFAOYSA-N 351.372 3.877 0 40 FHAB COc1ccc(CC[C@H](C)NC(=O)c2ccc(C(F)(F)F)nc2O)cc1 58266154 QHXZOJTXMADXIT-NSHDSACASA-N 368.355 3.566 0 40 FHAB CSc1cc(C(=O)O)ccc1NS(=O)(=O)c1ccc(Cl)cc1C 58394328 BCLANNYBKYCJKF-UHFFFAOYSA-N 371.867 3.869 0 40 FHAB CCSc1ccc(NC(=O)c2ccc3c(O)[nH]c(=S)nc3c2)cn1 58417479 AZXLYTLMOWNYGO-UHFFFAOYSA-N 358.448 3.757 0 40 FHAB O=C(OCc1cc(F)cc2c1OCOC2)c1cc2c(cc1O)CCCC2 65687524 AMJOHXYERKNPSS-UHFFFAOYSA-N 358.365 3.634 0 40 FHAB CCOc1cc2c(c3[nH]c(C(=O)NCc4nc(C)cs4)cc13)O[C@H](C)C2 69370254 GPXVOWUMCBVUCK-LLVKDONJSA-N 371.462 3.585 0 40 FHAB O=C(OCc1cc(F)cc2c1OCOC2)c1cccn1Cc1ccccc1 71796225 IKKUPCGCJLQLII-UHFFFAOYSA-N 367.376 3.899 0 40 FHAB CSc1nc(Cl)cc(N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)n1 72203402 OLIZUNPSXHVUDQ-LLVKDONJSA-N 372.922 3.736 0 40 FHAB COc1ccc(NC(=O)c2ccco2)c2sc(-n3nc(C)cc3C)nc12 72229828 JAMBQKHRKBLJLM-UHFFFAOYSA-N 368.418 3.953 0 40 FHAB O=C(CC1CCCC1)N1CCN(C2CCCC2)C[C@H](Cc2ccccn2)C1 72355184 JOTQBHNCVRSSGB-FQEVSTJZSA-N 369.553 3.907 0 40 FHAB CCCOc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1OCCC 72414188 VLISTBSLVAMAKK-OAHLLOKOSA-N 355.500 3.827 0 40 FHAB O=C(N[C@H](Cc1ccccc1)c1ccccc1F)N1CCC(CO)CC1 77857256 DEXWAGHRYQDCNW-HXUWFJFHSA-N 356.441 3.523 0 40 FHAB COc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccsc2)cc1OC 79268675 ZAFWLAIHQRRLHX-CQSZACIVSA-N 367.492 3.600 0 40 FHAB CC(=O)c1cc2c(cc1NC(=O)c1cc(-c3ccccc3F)on1)OCO2 89291970 WAUJNRAWPQCECK-UHFFFAOYSA-N 368.320 3.664 0 40 FHAB Cc1ccccc1Oc1ncccc1NCc1cn(Cc2cccnc2)nn1 95943686 VDUHQUNLMFIFOY-UHFFFAOYSA-N 372.432 3.829 0 40 FHAB CNC(=O)C[C@@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21 96053247 LYBXZCYWUJPCML-QGZVFWFLSA-N 370.518 3.785 0 40 FHAB CO[C@]1(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)CCSC1 96097627 OORSTGUVJUVFSI-KRWDZBQOSA-N 353.915 3.790 0 40 FHAB O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(Cc1ccco1)CC2 96100259 XGNYKSGAKJFFEC-FQEVSTJZSA-N 350.462 3.855 0 40 FHAB CC(C)Oc1ccc(CNC(=O)c2noc(-c3ccc(F)cc3)n2)cc1 96105455 VTYIYPNCKMQELF-UHFFFAOYSA-N 355.369 3.593 0 40 FHAB C[C@@H](NC(=O)c1ccc(Cl)cc1)c1onc(-c2cccnc2)c1C(=O)O 96296993 LLCQHSHNADDBSH-SNVBAGLBSA-N 371.780 3.579 0 40 FHAB biogenic,in-vitro C[C@H](N[C@H](C)CCCOc1ccccc1C(N)=O)c1ccc(F)cc1F 97162446 PUIDXAXJSWAQKH-KGLIPLIRSA-N 362.420 3.962 0 40 FHAB C[C@H]1C[C@@H](Nc2ccc(-c3ncn(C)n3)cc2)CCN1Cc1ccccc1 97371268 TXSSJMGUOVZIRN-UWJYYQICSA-N 361.493 3.947 0 40 FHAB Cc1nnn(C23C[C@H]4C[C@@H](CC(C(=O)Nc5ccc(C)c(C)c5)(C4)C2)C3)n1 101095624 AHDVXHWPKCBJBV-AMZMEHNNSA-N 365.481 3.533 0 40 FHAB Cc1ccc(NC(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)O2)cc1 104691151 UHRLOPOBXZYLCL-SDXDJHTJSA-N 364.430 3.642 0 40 FHAB CC(C)CCNc1ccc(S(=O)(=O)Nc2ccccc2)cc1C(=O)O 217639573 BJJHVALEBISYGF-UHFFFAOYSA-N 362.451 3.644 0 40 FHAB CC[C@H](Oc1ccccc1C)C(=O)N(C)Cc1nc(-c2ccccc2)no1 219315859 WHFJFUDJXBLJTR-KRWDZBQOSA-N 365.433 3.861 0 40 FHAB COc1ccc(O[C@@H](C)C(=O)NCCOc2ccccc2C(C)C)cc1 223777059 FJOXCVXDGAABHN-INIZCTEOSA-N 357.450 3.781 0 40 FHAB COC(=O)c1c(NC(=O)c2ccc(OC)c(C)c2)sc2c1CCCC2 224048704 PCCAWRNHTQCMKQ-UHFFFAOYSA-N 359.447 3.983 0 40 FHAB Cc1ccc(CNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)cc1 224123096 PIMIKOKGQCMVMY-STZFKDTASA-N 374.440 3.984 0 40 FHAB O=C(O)c1ccccc1-c1cnc(CN2CCC[C@H]2c2ccccn2)nc1 257211074 BXKRECSGPUIJPZ-IBGZPJMESA-N 360.417 3.574 0 40 FHAB Cc1cccc(CC(=O)N[C@@H](c2ccccn2)[C@H]2CC[C@H](CN)CC2)c1 257242047 IAVMHKVDDWJUKA-SFGWALBWSA-N 351.494 3.555 0 40 FHAB Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](N)c1ccccc1 306122179 QOFZYOSOELDKMC-WOZUAGRISA-N 367.541 3.968 0 40 FHAB in-vitro CCC(=O)N1CCC2(CC1)Oc1ccccc1-c1ncn(CC(C)C)c12 306144839 ZPXIVTSXCRDINO-UHFFFAOYSA-N 353.466 3.826 0 40 FHAB COc1ccc(C(=O)NC(=S)Nc2cccc(SC)c2)cc1OC 408593559 BJFKTMHOGIUOQF-UHFFFAOYSA-N 362.476 3.553 0 40 FHAB CCC[C@@H](C)NC(=O)c1cc2c(N3CCCC3)nc(SC)nc2s1 408617116 BSZVWWSEOJAJLG-LLVKDONJSA-N 364.540 3.932 0 40 FHAB O=C(O)[C@H]1CS[C@@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)N1 408807676 DJAJNFAFBIZKPP-AEFFLSMTSA-N 356.422 3.617 0 40 FHAB COCCCN1C(=O)S/C(=C/c2cccn2-c2ccc(OC)cc2)C1=O 409231959 LYNWFKWTVBXTFS-GHRIWEEISA-N 372.446 3.559 0 40 FHAB COc1cccc2nc(C[C@H]3CN(CC(C)(C)C)CC[C@H]3CC(=O)O)[nH]c12 514288612 JCTVSULGUWMMCR-GJZGRUSLSA-N 373.497 3.573 0 40 FHAB biogenic,in-vitro COc1cc(/C=C/CNC(=O)OC(C)(C)C)c2c(c1)OC(C)(C)OC2=O 575363234 SPZRQKRFFGQGNH-BQYQJAHWSA-N 363.410 3.518 0 40 FHAB CN(Cc1nc[nH]n1)C(=O)N[C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 580164589 KARIIIFWMMLWAI-CVEARBPZSA-N 361.877 3.716 0 40 FHAB CC(C)OC(=O)N1CCC2(CC1)Cc1ccccc1CN(CC1CC1)C2=O 585105888 WOGURBJVZKLKGH-UHFFFAOYSA-N 370.493 3.609 0 40 FHAB COc1ccc(OC(F)(F)F)c(C(=O)Nc2cc3c(cc2C)OCO3)c1 1127988277 POPXPEOGVMVBKD-UHFFFAOYSA-N 369.295 3.883 0 40 FHAB CCC(CC)c1nnc(NC(=O)c2cc(OC)c(OC)c(OC)c2)s1 804678 PPXKLWFIXPSHRI-UHFFFAOYSA-N 365.455 3.720 0 40 FHAB Cc1cc(I)ccc1NC(=O)COc1ccccc1 940160 HBYJPKGCGRNORK-UHFFFAOYSA-N 367.186 3.617 0 40 FHAB CC(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 1459910 AIDQXANHPSWJHN-KRWDZBQOSA-N 354.425 3.618 0 40 FHAB CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(Cl)cc1 2503548 DGHPIAOUZGMKHR-YGRLFVJLSA-N 364.854 3.552 0 40 FHAB O=Cc1ccc(Cn2nc(C(F)F)c(Br)c2C(F)F)o1 2549582 AOVVTIGTPDNPQI-UHFFFAOYSA-N 355.085 3.975 0 40 FHAB CCCCCCn1c(SCC(N)=O)nnc1-c1c[nH]c2ccccc12 2646568 ZKSMJNCMTZRNOJ-UHFFFAOYSA-N 357.483 3.584 0 40 FHAB CCOc1ccc(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)cc1 3179654 UDJCJDFCXCKPIX-TZIWHRDSSA-N 350.462 3.842 0 40 FHAB Cc1ccc(/C=C/C(=O)OCC(=O)N[C@H](C)CCc2ccccc2)cc1 3283366 FONOSVRYSPZJFA-LGHUBQEGSA-N 351.446 3.689 0 40 FHAB CC(=O)c1ccc(OC(=O)COc2ccc(Br)cc2C)cc1 4691567 QMAHDOPCMHOLEQ-UHFFFAOYSA-N 363.207 3.945 0 40 FHAB COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1nnc(C(C)C)s1 4815776 RIMIWVBLSQDHDT-UHFFFAOYSA-N 368.846 3.534 0 40 FHAB CCC(=O)Nc1ccc(C(=O)CSc2nncn2-c2ccccc2)cc1 4835183 PKGKBKKYSWNHNJ-UHFFFAOYSA-N 366.446 3.591 0 40 FHAB CN(C)CCCNc1c2c(nc3cc(-c4cccc(F)c4)nn13)CCCC2 4980755 YGZXGJYNJLMMAH-UHFFFAOYSA-N 367.472 3.778 0 40 FHAB CSc1ccccc1-c1nnc(NC(=O)c2ccc(C(C)=O)cc2)o1 5240174 VZAXGKFADBBBCC-UHFFFAOYSA-N 353.403 3.913 0 40 FHAB CC1=CC[C@@H]2C(=O)N(c3ccc(OC(=O)c4cccs4)cc3)C(=O)[C@H]2C1 5915369 OHUGWADGBUTBRV-HOTGVXAUSA-N 367.426 3.813 0 40 FHAB CC1=C(C(=O)OC(C)C)[C@@H](c2c(Cl)cccc2Cl)NC(=S)N1 6045303 FNFWUTFZMOWAGC-ZDUSSCGKSA-N 359.278 3.738 0 40 FHAB COCCNc1nnc(SCc2ccc(Br)cc2)s1 6427859 YGHPCIJNRFSLLV-UHFFFAOYSA-N 360.302 3.651 0 40 FHAB Cc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccco2)cc1 6661409 GRBAIUFNVZXASS-GCJKJVERSA-N 372.380 3.669 0 40 FHAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 6787555 OGTJAMKEIDNPNU-SFCYXTAJSA-N 355.404 3.856 0 40 FHAB CCCCc1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)cc1 7055360 IWGOJFWMENMSNR-UHFFFAOYSA-N 351.399 3.667 0 40 FHAB COc1ccc(NS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)cn1 7056605 VEOYLNWUAAEFIB-UHFFFAOYSA-N 361.250 3.815 0 40 FHAB COc1cc(C(=O)N[C@@H](C)c2ccco2)cc(OC)c1Br 7244229 OBMVUPHVNMUFLI-VIFPVBQESA-N 354.200 3.550 0 40 FHAB CCCn1nnnc1NCc1ccc(-c2ccc(Br)cc2)o1 7263419 UDBJNJOOVXJCIK-UHFFFAOYSA-N 362.231 3.718 0 40 FHAB O=C(Cc1csc(-c2ccccc2)n1)N[C@@H]1CCOc2ccccc21 7268958 CWAKGECKMILQFJ-QGZVFWFLSA-N 350.443 3.993 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Oc2ccc3ccc(=O)oc3c2)c1C 7764229 QJPRCPKFQMABJZ-CYBMUJFWSA-N 353.374 3.591 0 40 FHAB O=C(CN1CCc2sccc2C1)Nc1ccccc1Br 8727407 OEDZRVQVGZTZNK-UHFFFAOYSA-N 351.269 3.507 0 40 FHAB COC(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1 9062880 GYLMHHODTSTSBB-UHFFFAOYSA-N 366.461 3.632 0 40 FHAB CCOc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1OCC 9827730 JNKZLCZOFZMLDG-UHFFFAOYSA-N 368.433 3.645 0 40 FHAB C[C@@H](NC(=O)Nn1cnc2ccccc21)c1ccccc1Br 10402737 YGLSQJCBJVNUJI-LLVKDONJSA-N 359.227 3.813 0 40 FHAB Cc1ccc(F)cc1NC(=O)CCCn1cnc2c(C)cccc2c1=O 10409581 MJMSEJKLOLNAGL-UHFFFAOYSA-N 353.397 3.571 0 40 FHAB Clc1nc2ccccc2cc1CSc1nnnn1Cc1ccco1 11680287 XLKFMKDUZQHDEP-UHFFFAOYSA-N 357.826 3.808 0 40 FHAB CCC[C@H](NC(=O)Cn1c(=O)oc2cc(Cl)ccc21)c1cccs1 12200219 PELIRXWTFUCNHI-LBPRGKRZSA-N 364.854 3.967 0 40 FHAB COc1ccc(-c2nnc3sc(CSc4ccncc4)nn23)cc1 12323213 WTGWZTTZOUPPDJ-UHFFFAOYSA-N 355.448 3.549 0 40 FHAB COC(=O)c1ccc(NC(=O)Cc2cnc(-c3ccccc3F)s2)cc1 12390583 DHZLZYZMOCHSQW-UHFFFAOYSA-N 370.405 3.917 0 40 FHAB Cc1cc(O)nc(SCC(=O)Nc2ccccc2-c2ccccc2)n1 12485318 JUIKDGGIJPNIOL-UHFFFAOYSA-N 351.431 3.888 0 40 FHAB O=C(N[C@H](Cc1ncc[nH]1)c1ccccc1)c1cc(-c2ccccc2)[nH]n1 12507652 AJWPGRMLCRPEFV-QGZVFWFLSA-N 357.417 3.514 0 40 FHAB C[C@H](CNc1nnnn1-c1ccccc1)c1nc2ccccc2n1C(F)F 12629991 SDAPSBWIEOHSBN-GFCCVEGCSA-N 369.379 3.623 0 40 FHAB COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2ccccc2C(=O)O)c1 12759422 QNOXUJYZKNTKRQ-LLVKDONJSA-N 361.419 3.521 0 40 FHAB C[C@H](NC(=O)CNC(=O)c1ccccc1F)c1ccc2ccccc2c1 12778001 UMUAPANJWLITLW-AWEZNQCLSA-N 350.393 3.586 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c(C)c1 13040630 ABPZUWXFBDGCCW-HNNXBMFYSA-N 360.479 3.633 0 40 FHAB CC(C)c1ccc([C@@H](C)NC(=O)COc2ccc(Cl)cc2C(N)=O)cc1 13095229 HIDUPNDJZKROID-CYBMUJFWSA-N 374.868 3.819 0 40 FHAB CSCc1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)oc2ccccc12 14160231 DFDKPOBAANWIDQ-UHFFFAOYSA-N 356.447 3.531 0 40 FHAB C[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccco1 14169448 RISYUPXMFNVZAN-JTQLQIEISA-N 363.826 3.953 0 40 FHAB CC(C)c1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3F)c2)cc1 14229517 WSFOKYUGPJJRAW-UHFFFAOYSA-N 373.453 3.995 0 40 FHAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc2c(c1)-c1ccccc1C2 14893586 QASQDADDKRGLDZ-UHFFFAOYSA-N 367.408 3.606 0 40 FHAB CC(=O)Nc1ccc(C(=O)[C@@H](C)N(C)CCOc2ccc(Cl)cc2)cc1 16633050 PSISNRWZNCIWJP-CQSZACIVSA-N 374.868 3.880 0 40 FHAB Cc1c(Cl)cccc1NC(=O)c1ccc(=O)n(Cc2ccc(F)cc2)n1 16848230 ADWPWOFKDHHEQL-UHFFFAOYSA-N 371.799 3.645 0 40 FHAB CCn1cnnc1SCC(=O)c1ccc(NC(=O)c2ccccc2)cc1 18966983 NOAFTCLUBQUDJL-UHFFFAOYSA-N 366.446 3.525 0 40 FHAB CC(C)CC[C@@H](C)NC(=O)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 19309885 QGKSJWCFNITJQO-HUUCEWRRSA-N 369.552 3.520 0 40 FHAB CC(=O)N[C@@H](c1ccccn1)C1CCN(C[C@@H](C)c2ccccc2)CC1 19456069 HRMBPBHXLNGPTO-VGOFRKELSA-N 351.494 3.775 0 40 FHAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@@H](COc3ccccc3F)C2)n1 19572776 YYLMWLAQXGJFCU-ZWKOTPCHSA-N 373.472 3.908 0 40 FHAB Cc1cc(C)n(CCCC(=O)N[C@H]2[C@H](c3ccccc3)[C@H]3CCC[C@H]32)n1 19574189 UUVJGRZWXTUFGE-YVNJGZBMSA-N 351.494 3.979 0 40 FHAB CCCOC(=O)c1ccc(NC(=O)Cn2ccc3cc(OC)ccc32)cc1 20725157 KXMVWDYYJHMWFD-UHFFFAOYSA-N 366.417 3.855 0 40 FHAB C[C@@H](C(=O)Nc1ccccc1Cl)N1CCN(CCc2ccccc2)CC1 22015245 GSQRMJVDSOOVPP-KRWDZBQOSA-N 371.912 3.527 0 40 FHAB COC(=O)c1ccccc1-c1ccc([C@@H]2NC(=O)c3ccccc3N2C)o1 24098536 RHFAZNHRNLTYFI-LJQANCHMSA-N 362.385 3.612 0 40 FHAB Cc1cccn2c(=O)cc(CSc3ccc(C(F)(F)F)cn3)nc12 24548274 MDZPKLMTXULESZ-UHFFFAOYSA-N 351.353 3.709 0 40 FHAB CC(C)(CNC(=O)c1ccc(NC(=O)NC2CC2)cc1)c1ccccc1 25134332 TYOJPVJKFSKQQW-UHFFFAOYSA-N 351.450 3.678 0 40 FHAB Cc1cc(C)cc(OCCN2CCC(NC(=O)c3ccccc3)CC2)c1 25828584 QGQWHMDVBBBQRA-UHFFFAOYSA-N 352.478 3.577 0 40 FHAB O=c1/c(=C/c2ccc(Cl)cc2)sc2nc(/C=C/c3cccs3)nn12 27022398 NVZSKORGUWKQJF-FAGQLRNJSA-N 371.874 3.584 0 40 FHAB O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CCCN(c2ncccn2)C1 27596341 CLEOOIGUMHETSX-GFCCVEGCSA-N 371.491 3.517 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(C)c1C 30850860 OFRPUZZWKDPJNS-MRXNPFEDSA-N 354.450 3.849 0 40 FHAB Cc1ccc(-c2nc(CSc3nnnn3-c3ccccc3)cs2)o1 32321943 KSGQTGFXLPTMIT-UHFFFAOYSA-N 355.448 3.980 0 40 FHAB CC(C)C[C@H](NC(=O)CCn1ncc(=O)c2ccccc21)c1ccccc1 32820318 RGRPGNRLPBRMAY-IBGZPJMESA-N 363.461 3.690 0 40 FHAB O=C(c1cc(NC2CCCCCC2)nc2ccccc12)N1CCOCC1 32837492 BPIVPISAKHQFGO-UHFFFAOYSA-N 353.466 3.842 0 40 FHAB Cc1ccccc1[C@@H](C)NC(=O)CSc1nc(CC2CCCC2)n[nH]1 32883976 SDUCAFAGJSMJIT-CQSZACIVSA-N 358.511 3.815 0 40 FHAB COc1cccc(CC(=O)NCc2ccccc2CN2CCCC[C@H]2C)c1 32930751 WFQROTVKNXKNQH-GOSISDBHSA-N 366.505 3.929 0 40 FHAB O=C(NCc1cccnc1OCC(F)(F)F)c1ccc(Cl)cc1F 33108443 LDDCBZPJQMPDAP-UHFFFAOYSA-N 362.710 3.745 0 40 FHAB O=C(O)c1ccc(CSc2nc3c(c(C(F)(F)F)n2)CCC3)cc1 33468702 IEPXEHDETVLFCU-UHFFFAOYSA-N 354.353 3.975 0 40 FHAB Cc1ccccc1NC(=O)N1CCC(NC(=O)c2ccccc2C)CC1 35289063 RGPSXQNYRUWDBM-UHFFFAOYSA-N 351.450 3.730 0 40 FHAB CCN1CCN(c2nc(-c3ccc(Cl)cc3)cc(C(F)F)n2)CC1 36618611 OPVCXBMMDWVDOC-UHFFFAOYSA-N 352.816 3.877 0 40 FHAB CN(C(=O)c1cccc(CN2CCCC2=O)c1)[C@@H]1CCCc2ccccc21 39994110 PIRQZEPAINFVQQ-OAQYLSRUSA-N 362.473 3.959 0 40 FHAB CN(CCOc1ccccc1F)C(=O)Nc1ccc(OC(F)F)cc1 40103172 ZBKCZJNTPGUGJE-UHFFFAOYSA-N 354.328 3.970 0 40 FHAB COc1ccccc1-c1ccc(=O)n([C@H]2CCc3ccccc3N=C2O)n1 40287765 PNJOPUKGZLDCKB-SFHVURJKSA-N 361.401 3.694 0 40 FHAB CC(C)c1ccc(OCCOC[C@@H](O)CN[C@@H](C)c2ccccc2)cc1 40373370 JNKGYBZKGHMWNG-RXVVDRJESA-N 357.494 3.917 0 40 FHAB COc1ccc(Cl)cc1NC(=O)CSc1cc(C(C)C)ncn1 44225071 QEYIFAQZFFYXCV-UHFFFAOYSA-N 351.859 3.993 0 40 FHAB CCCCOC(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cn2)cc1 46084755 OMGDYAPLFFGWHJ-UHFFFAOYSA-N 362.813 3.709 0 40 FHAB CCn1c(C)cc(C(=O)O[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1C 49574133 QYNYYQXUNQMTKE-GDBMZVCRSA-N 354.450 3.648 0 40 FHAB CCc1ccc(CNC(=O)c2nnn(-c3cccc(Cl)c3)c2C)cc1 51317626 ASHZTQRYPDTBTR-UHFFFAOYSA-N 354.841 3.722 0 40 FHAB Cc1cc(=O)n(CC(=O)Nc2ccc(F)cc2)c(-c2cccc(Cl)c2)n1 57526790 XOIDKRANLFQUKI-UHFFFAOYSA-N 371.799 3.650 0 40 FHAB O=C(Nc1ccn(Cc2cccnc2)n1)c1occc1COc1ccccc1 58171407 DBMLHUSEDNISPU-UHFFFAOYSA-N 374.400 3.751 0 40 FHAB CC1(C)CC[C@@H](NC(=O)C2CCN(C(=O)C3CC3)CC2)c2ccccc21 58194953 SJUBONBGHLUOJQ-LJQANCHMSA-N 354.494 3.564 0 40 FHAB CC[C@H](C(=O)N1CCC(NC(=O)C[C@@H](C)C2CC2)CC1)c1ccccc1 58357234 IEMLVULFBLKGTP-UZLBHIALSA-N 356.510 3.724 0 40 FHAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3)o2)c1C 59176059 YCXMZAVPLVVECP-UHFFFAOYSA-N 369.446 3.996 0 40 FHAB CC(=O)NCc1ccc(C(=O)NCC2(c3ccc(F)cc3)CCCC2)s1 67053737 SCBKNTGZWKXQGA-UHFFFAOYSA-N 374.481 3.765 0 40 FHAB Cc1nc(-c2cccc(NC(=O)C(=O)N3CCCCCCC3)c2)oc1C 67356616 OUUJMBITAHNWQS-UHFFFAOYSA-N 355.438 3.690 0 40 FHAB COc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccc(C)cc3)n2)cc1 67898813 LODUKNRJFPIYDE-NRFANRHFSA-N 363.461 3.967 0 40 FHAB biogenic,in-vitro Cc1ncc(CN(C)C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)s1 69707360 UYENRUBNAZPBDK-UHFFFAOYSA-N 370.434 3.961 0 40 FHAB O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1nc2ccccc2s1 70639953 RSSZOEISXJEMHO-ZDUSSCGKSA-N 366.364 3.779 0 40 FHAB O=C(NCc1cccc(Br)c1)c1cn[nH]c1-c1cccs1 72329457 XIWPKVJJBOAVJH-UHFFFAOYSA-N 362.252 3.831 0 40 FHAB O=C1C[C@@]2(CC[C@@H]3[C@@H](C(=O)NCc4cccc(F)c4)[C@@H]32)Oc2ccccc21 72334258 ALNBJXJLAPYGHK-KREFBHGWSA-N 365.404 3.502 0 40 FHAB CCc1ncc(CN2CCC[C@H]2c2n[nH]cc2-c2ccccc2F)cn1 72380396 RMWQVDHWBGHOCK-SFHVURJKSA-N 351.429 3.905 0 40 FHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N1c2ccccc2OC[C@@H]1C 72531543 BXEJFJKGHQJLCA-ZDUSSCGKSA-N 350.422 3.748 0 40 FHAB CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1cccc2c1OCCO2 75104792 DXQYKOQVBUNJII-GOSISDBHSA-N 370.449 3.509 0 40 FHAB C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1cc(C2CC2)on1 76649866 VSMADGCCOUIGJA-KXBFYZLASA-N 353.466 3.535 0 40 FHAB O=C(CCc1nc(-c2ccc3cc[nH]c3c2)no1)NCCc1ccccc1 79491917 HELAFIQXZJELID-UHFFFAOYSA-N 360.417 3.509 0 40 FHAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NC2CCCCC2)c1 205610725 UIFSZFHOAKMWCI-RGEXLXHISA-N 352.434 3.808 0 40 FHAB COc1cccc(O[C@@H](C)C(=O)NCc2ccc(OC(C)C)c(OC)c2)c1 216364721 CFIIWUIFKQYUOT-HNNXBMFYSA-N 373.449 3.575 0 40 FHAB CC(C)c1ccccc1OCC(=O)N1CCN(c2ccc(F)cc2)CC1 222805570 BXQLLQLHSVVKGI-UHFFFAOYSA-N 356.441 3.677 0 40 FHAB CCSc1nnc(NC(=O)C2CCN(Cc3ccccc3)CC2)s1 223198119 UKRKEHGIPIMFEF-UHFFFAOYSA-N 362.524 3.501 0 40 FHAB CC(C)c1ccccc1OCCNC(=O)CCc1ccc2c(c1)OCCO2 223827069 IURVUIBIXJPPTM-UHFFFAOYSA-N 369.461 3.709 0 40 FHAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 224109915 HVPNRPQXDDTVIP-KRWDZBQOSA-N 370.468 3.558 0 40 FHAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)C 224982466 MMTIISZDJICDPO-HXUWFJFHSA-N 370.468 3.700 0 40 FHAB CN(C)[C@@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)c1ccccc1 225183513 ISTRWHWMMHQWHJ-HXUWFJFHSA-N 354.494 3.782 0 40 FHAB COc1cccc(NC(=S)NCc2ccc(OC(C)C)c(OC)c2)c1 225530421 JJYIOURWVOFESR-UHFFFAOYSA-N 360.479 3.978 0 40 FHAB CCOC(=O)c1cccc(NC(=S)N[C@H](C)COc2ccccc2C)c1 225636577 AALWAIVOCQLOEP-OAHLLOKOSA-N 372.490 3.926 0 40 FHAB COCCOc1ccc(C(=O)NCc2ccnc(-c3cccs3)c2)cc1 225651134 FTHJMFCRESKPNG-UHFFFAOYSA-N 368.458 3.765 0 40 FHAB CC(C)CCNC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 225805457 WAKKKPJIPYVFDZ-UHFFFAOYSA-N 355.360 3.850 0 40 FHAB C[C@H](Cc1ccccn1)NC(=O)[C@H](c1ccccc1)N1CCCC[C@H]1C 253608649 SUAITDBMAAHHOH-OPYAIIAOSA-N 351.494 3.745 0 40 FHAB COc1ccc(CN(CC(=O)O)C2CCN(c3ccc(C)cc3)CC2)cc1 257238482 HLDVZDXMVBXVBD-UHFFFAOYSA-N 368.477 3.559 0 40 FHAB CC[C@H](C)n1nc(C(=O)Nc2nc(CN3CCCCC3)cs2)cc1C 331463471 QJBDSMSOHBRQIT-ZDUSSCGKSA-N 361.515 3.857 0 40 FHAB COC(=O)c1ccc(CSc2nc3c(c(C(F)(F)F)n2)CCC3)o1 408553872 QWSQDHXNLOJVAH-UHFFFAOYSA-N 358.341 3.656 0 40 FHAB COCCCN1C(=O)S/C(=C/c2cc(Cl)cc(Cl)c2O)C1=O 409238603 LGIMEOJHMOAXCO-IZZDOVSWSA-N 362.234 3.772 0 40 FHAB O=C(c1nc2cccnc2s1)N1CCCc2cccc(OC(F)F)c21 513474703 BZCMUFRTUFCPJY-UHFFFAOYSA-N 361.373 3.886 0 40 FHAB COc1cc(Cl)cc(C(=O)NCCc2nc(-c3ccccn3)cs2)c1 550435418 AYCPEKJJEOAQLM-UHFFFAOYSA-N 373.865 3.840 0 40 FHAB Cc1cc(C)c2nc(C3CC3)cc(C(=O)N[C@H]3CCc4nc[nH]c4C3)c2c1 551779761 SSKVLVXNYKTICV-HNNXBMFYSA-N 360.461 3.739 0 40 FHAB C[C@H](CCc1n[nH]c2ccccc12)NCc1ccc(C[S@](C)=O)cc1 556897260 LIIXHSINCVJLPH-BZQUYTCOSA-N 355.507 3.552 0 40 FHAB CC(C)S(=O)(=O)c1ccccc1C(=O)N1CC2(CCC2)c2ccccc21 573507973 OCYMWPBXGLDFGM-UHFFFAOYSA-N 369.486 3.951 0 40 FHAB O=C(NCC[C@H](CCO)c1cccs1)c1ccccc1Br 575603292 CHKOZPTVXLBFLK-GFCCVEGCSA-N 368.296 3.797 0 40 FHAB CC(C)c1nc(C2CCN(c3cc(N4CCC[C@@H](C)C4)ncn3)CC2)no1 585085559 KLUZHKNGYUMENL-OAHLLOKOSA-N 370.501 3.603 0 40 FHAB O=C(c1cnc2ccccc2c1)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 654996445 TWCBRNKFQXCZRN-CYBMUJFWSA-N 374.366 3.997 0 40 FHAB O=C(N[C@H]1CCc2c(F)cccc21)N(CCO)[C@H]1CCCc2ccccc21 674148610 JSGUCPOZIYKSQD-SFTDATJTSA-N 368.452 3.895 0 40 FHAB CC(=O)N1CCN(Cc2cc3cc(C)c(C)cc3o2)CCC12CCOCC2 1615553162 QMWVVVDQBLLKPD-UHFFFAOYSA-N 370.493 3.653 0 40 FHAB Cn1c(=O)n(C)c2cc(Nc3ccc(-c4ccc(Cl)s4)nn3)ccc21 1651434026 NEKPZYHFIBHTDS-UHFFFAOYSA-N 371.853 3.793 0 40 FHAB Cc1nnc(N2CCC[C@@H](COc3ncccc3C(F)(F)F)C2)s1 1776001181 CUPUEXONLHNDTA-LLVKDONJSA-N 358.389 3.556 0 40 FHAB Cc1nc2ccccc2c(=O)n1CC1CCN(Cc2ccccc2F)CC1 1888930425 GKYKZMWZFLPTSX-UHFFFAOYSA-N 365.452 3.756 0 40 FHAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3C(=O)CSCc2ccccc2)c1 1889149310 NFJCOVXVFNBWCS-DFNIBXOVSA-N 355.507 3.819 0 40 FHAB CC(C)NC(=O)C1(Nc2ccccc2)CCN(Cc2ccc(F)cc2)CC1 2055759405 VEFVJJFFRKUQIA-UHFFFAOYSA-N 369.484 3.797 0 40 FHAB Nc1nc2n(n1)[C@@H](c1ccco1)C[C@H](c1ccc(Cl)cc1Cl)N2 12469214 VCRPQYJPGYILCZ-VXGBXAGGSA-N 350.209 3.906 0 40 FHAB Cc1cc(C)c2cc(C(=O)N(C)CC(=O)Nc3cccc(F)c3)[nH]c2c1C 24678845 RSNQOGUVTDMVKW-UHFFFAOYSA-N 367.424 3.943 0 40 FHAB COc1ccc(N[C@H](C)c2ccc(Cl)cc2)cc1NS(C)(=O)=O 78671635 MUUJEFAMBPFVFB-LLVKDONJSA-N 354.859 3.893 0 40 FHAB Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2c(C)cccc2C)c1 1353406 WLYCKSHISXJGGQ-UHFFFAOYSA-N 367.478 3.627 0 40 FHAB CCCn1c(SCC(=O)N2CCCC[C@H]2CC)nnc1-c1ccccn1 1362819 TYECHZXYNQMGEM-OAHLLOKOSA-N 373.526 3.633 0 40 FHAB O=C(Nc1ccccc1)c1cccc(CN2CC[C@H](Oc3cccnc3)C2)c1 79111190 HGSUQITXIZQFSH-QFIPXVFZSA-N 373.456 3.987 0 40 FHAB COC(=O)c1cc(CNC(=O)c2cccnc2SC2CCCC2)oc1C 55298885 SBHVPJVELLOBTR-UHFFFAOYSA-N 374.462 3.734 0 40 FHAB CCc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)OC)c3N2)s1 2776745 SQKYMRWBOYCNHA-PWSUYJOCSA-N 359.373 3.954 0 40 FHAB CC1(C)[C@]2(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC[C@@]1(C)C(=O)O2 2879091 MWMSZDFBWCRDIT-JKSUJKDBSA-N 357.328 3.646 0 40 FHAB C[C@@H]1Cc2cc(/C=C/[C@@]34NC(=O)CN3c3ccccc3C4(C)C)ccc2O1 3999985 TWCVOODGGUWAPC-MLJDHVKVSA-N 360.457 3.647 0 40 FHAB biogenic CC(C)=C[C@@H]1[C@@H](C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)C1(C)C 25638109 SUSRSQGHOHFWER-AQNXPRMDSA-N 374.500 3.554 0 40 FHAB CCN(CC)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 6368610 PNJFUIVCFDSEIV-UHFFFAOYSA-N 366.870 3.623 0 40 FHAB Cc1cccc(OC[C@H](O)CN(Cc2ccsc2)c2ccccn2)c1 6491091 DEYQADVDPQDUIS-GOSISDBHSA-N 354.475 3.898 0 40 FHAB CCCc1n[nH]c(=S)n1NCc1cc(Br)ccc1OCC 7601348 QCHGNUPSGGAVPT-UHFFFAOYSA-N 371.304 3.798 0 40 FHAB CCn1c(SC[C@@H](O)COc2ccc3ccccc3c2)nnc1C1CC1 58013291 DVEUYFOAGSQPBV-KRWDZBQOSA-N 369.490 3.861 0 40 FHAB Cc1cccnc1NC(=O)[C@H]1CCCN(c2cccc(C(F)(F)F)n2)C1 58184555 VFWNSBIERJVQPM-ZDUSSCGKSA-N 364.371 3.659 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)NCC1CCN(Cc2cccs2)CC1 58193216 VBSAEASNAFMPSN-UHFFFAOYSA-N 367.518 3.800 0 40 FHAB CCc1ccc(OCC(=O)Nc2nonc2-c2ccc(OC)c(C)c2)cc1 27664665 ADLGXSUBCWOLQA-UHFFFAOYSA-N 367.405 3.634 0 40 FHAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)ccc1C 174969235 PRLPKWNGHXSFGN-UHFFFAOYSA-N 373.352 3.601 0 40 FHAB Cc1cccc(C2(C(=O)Nc3ccc(Sc4nncn4C)cc3)CC2)c1 58201535 FFZPUYFCDFWMLM-UHFFFAOYSA-N 364.474 3.945 0 40 FHAB Cc1cccc(CC(=O)Nc2ccc3c(c2)CN(C(=O)C(C)C)CC3)c1 9036020 MZHIOSIMKJPLMR-UHFFFAOYSA-N 350.462 3.717 0 40 FHAB CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCC)NC2=S)cc1 9189158 GDVLJUPGKRGLFF-LGMDPLHJSA-N 368.458 3.746 0 40 FHAB O=C(CCNC(=O)c1ccc(F)cc1F)Nc1ccc(F)c(Cl)c1 10491087 SZFGNIIWHAZHQZ-UHFFFAOYSA-N 356.731 3.516 0 40 FHAB O=C(NC1CCN(CC2CCCCC2)CC1)C(F)(F)c1ccccc1 58406593 RNELXIDVLRKQSS-UHFFFAOYSA-N 350.453 3.939 0 40 FHAB CCc1nnc(CN2CC3(CCCC3)c3cc4c(cc3[C@H]2C)OCCO4)o1 36394278 QUIBZOBQZMJZSD-CQSZACIVSA-N 369.465 3.792 0 40 FHAB O=C1c2ccccc2N[C@H](c2ccc(OC[C@@H]3CCCO3)cc2)N1C1CC1 11034723 KPMXFZKDNPBHNP-RXVVDRJESA-N 364.445 3.973 0 40 FHAB O=C(Cc1ccc(Br)cc1)Nc1ccc(Cl)c(C(=O)O)c1 20137174 HUFSVZDMXFRNLT-UHFFFAOYSA-N 368.614 3.982 0 40 FHAB OC1(C(F)(F)c2nc(-c3cccc(OCc4cccnc4)c3)no2)CCC1 95454541 MUFFGLSWQQNSAD-UHFFFAOYSA-N 373.359 3.717 0 40 FHAB COc1ccc(NC(=O)[C@H](Sc2nnc(-c3ccc[nH]3)o2)C(C)C)cc1 11277508 LUBGXPIULHZGPM-OAHLLOKOSA-N 372.450 3.829 0 40 FHAB Cc1cccc(C)c1OCC(=O)Nc1cc(Cl)ccc1-n1cncn1 23078196 YJJFGCLCEUAOEC-UHFFFAOYSA-N 356.813 3.555 0 40 FHAB O=C(Cc1coc2cc3c(cc12)CCC3)Nc1ccc(-n2cccn2)nc1 29196915 JSZXBRIXUZWPRA-UHFFFAOYSA-N 358.401 3.683 0 40 FHAB O=C1N[C@](c2ccccc2)(C(F)(F)F)C(=O)N1C/C=C/c1ccccc1 60361689 KVFNDMUZEFOZMG-HKMNZKMDSA-N 360.335 3.709 0 40 FHAB O=C(COC(=O)c1nc(Cl)ccc1Cl)Nc1ccc(Cl)cc1 3367507 XVQJMLROMYZHAD-UHFFFAOYSA-N 359.596 3.837 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)Cn1c(C)nc2ccccc21 3306139 RAQXMEIYUZVXHR-UHFFFAOYSA-N 361.401 3.561 0 40 FHAB Cn1ccnc1COc1ccc(NC(=O)c2ccc(O)c(Cl)c2)cc1 48356540 MUYYYMJAPKHERY-UHFFFAOYSA-N 357.797 3.610 0 40 FHAB Cc1ccc(NC(=O)N[C@H](C)Cn2ccnc2)c(OCc2ccccc2)c1 48339918 KPQHQBFNBUVPRU-QGZVFWFLSA-N 364.449 3.981 0 40 FHAB S=C(NCCc1ccccc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10184216 OCOJEHZYKTTWKD-KRWDZBQOSA-N 364.518 3.860 0 40 FHAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc(F)c3)ccc21 10972219 RIQJZEJRXBWSKN-UHFFFAOYSA-N 356.397 3.850 0 40 FHAB C[C@H]1CCc2sc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2C1 3407639 HMSYNIGLQVBZDE-AWEZNQCLSA-N 356.491 3.962 0 40 FHAB O[C@H](CNCc1ccccc1)COc1ccc(OCc2ccccc2)cc1 26770391 ZIJRBUPAVIUPIL-OAQYLSRUSA-N 363.457 3.795 0 40 FHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2CCC(C)CC2)cs1 13006325 MWMFDUIBJVIZJY-UHFFFAOYSA-N 355.507 3.740 0 40 FHAB C[C@@H](OC(=O)/C=C/c1ccccc1F)C(=O)N1CCCc2ccccc21 13103958 XRIPJEMCYCPOLA-RDRICISKSA-N 353.393 3.750 0 40 FHAB CC(C)CNCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 6045852 HCFACJOZXLBUAP-KRWDZBQOSA-N 359.857 3.856 0 40 FHAB CCOc1ccc(N2C[C@H](C(=O)Oc3cccc(C)c3C)CC2=O)cc1 5002157 XXHCWUFXGGACPA-MRXNPFEDSA-N 353.418 3.661 0 40 FHAB COc1cccc(-c2nnc(CN3[C@H](C)COC[C@H]3c3ccccc3)o2)c1 95452656 LQVAVWNJGRBFDO-BEFAXECRSA-N 365.433 3.707 0 40 FHAB Fc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4ccsc4)C2)OC3)cc1 306143364 YAGFBKWJMFMSOZ-HXUWFJFHSA-N 369.465 3.926 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)CN(Cc1ccccc1F)C1CC1 14247196 LDXKVTDULQDUJN-QGZVFWFLSA-N 354.469 3.928 0 40 FHAB CN(C)C(=O)[C@@H](Sc1nnc(-c2ccccc2F)n1C)c1ccccc1 5472115 KYBNVEXTFNWKGM-INIZCTEOSA-N 370.453 3.543 0 40 FHAB CCOc1ccc(CCC2CCN(c3ncnc4c3cnn4C)CC2)cc1 14301179 QGJFZYUHOCBDQK-UHFFFAOYSA-N 365.481 3.611 0 40 FHAB Cc1csc(NC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)n1 6586959 FVVKIKIXQBBETL-UHFFFAOYSA-N 358.492 3.805 0 40 FHAB CN(C(=O)CSc1nnc2n1CCCCC2)[C@H]1CCCc2ccccc21 6880336 GCVKBZITYWBGPG-KRWDZBQOSA-N 370.522 3.633 0 40 FHAB CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1C(C)C 20802576 OPHZQQOHWKMYQS-ZWKOTPCHSA-N 371.481 3.805 0 40 FHAB Cc1c(CCC(=O)Nc2ccc(F)cc2F)c(=O)oc2c(C)c(O)ccc12 9486755 YVLKOGNUWCSMEW-UHFFFAOYSA-N 373.355 3.965 0 40 FHAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)NCc3cccs3)o2)cc1 7455303 OEJYVHOLWVSYMP-GFCCVEGCSA-N 359.476 3.904 0 40 FHAB CCCNC(=O)c1cc(S(=O)(=O)Nc2cc(C)cc(C)c2)ccc1C 408600675 BXHPZIOMBGTAID-UHFFFAOYSA-N 360.479 3.552 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cc(F)cc(F)c1 7824292 ODCXWVMIZMHOPI-UHFFFAOYSA-N 355.388 3.756 0 40 FHAB C[C@@H](OC(=O)c1cc(O)nc2ccccc12)C(=O)c1ccc(F)c(F)c1 16208046 FOEKWNFLEJACKN-SNVBAGLBSA-N 357.312 3.647 0 40 FHAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)NC3=NCCS3)sc2n1 7989582 KXQCBMBLNXKNGN-UHFFFAOYSA-N 356.476 3.536 0 40 FHAB COc1ccc(OC)c([C@H]2CCCN2Cn2nc(C3CC3)n(C)c2=S)c1 8151124 NGCZJFSTEZJNTP-MRXNPFEDSA-N 374.510 3.640 0 40 FHAB C[C@H](NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)N1CCCC1 8327458 SSDJHXCDVCEQKR-MAUKXSAKSA-N 367.518 3.962 0 40 FHAB C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccccc1 23042718 CXSUPHXYROTONU-GCJKJVERSA-N 372.468 3.905 0 40 FHAB CC(=O)c1cccc(NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)c1 8704396 RGOYUVOKNLUJHY-UHFFFAOYSA-N 361.401 3.513 0 40 FHAB CCc1nc2ccc(C(=O)Nc3nc(C(C)=O)cs3)cc2nc1CC 8718115 YWAUHBPIAGYQJJ-UHFFFAOYSA-N 354.435 3.666 0 40 FHAB O=C1C[C@@H](c2ccc(Cl)cc2)c2c(nc(-c3ccccc3)[nH]c2=O)N1 8742513 HOCYCNOYICIHLO-AWEZNQCLSA-N 351.793 3.564 0 40 FHAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@](O)(c3ccoc3)CC[C@@]12O 84756989 AEAPORIZZWBIEX-SOXOUHNGSA-N 374.521 3.986 0 40 FHAB in-man CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1 23025426 UVSJYQNURBAUIP-LJQANCHMSA-N 373.474 3.698 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408706613 ANGOXXUJISTDPK-UWJYYQICSA-N 364.489 3.630 0 40 FHAB COc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1OC 219532360 SVQQZZJGNIRMDM-KRWDZBQOSA-N 371.477 3.837 0 40 FHAB COC(=O)c1ccc(C(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)[nH]1 550841861 JYLGCOPYYULVPY-UHFFFAOYSA-N 365.389 3.858 0 40 FHAB O=C1OCCN1c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1 31720134 UJVINLZVLNOPCZ-UHFFFAOYSA-N 368.414 3.597 0 40 FHAB COc1ccc([C@H](C)NC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 78459065 HJOGPVDUQKTLLD-NSHDSACASA-N 357.793 3.946 0 40 FHAB Cc1cc(OCC(=O)n2cc(C(N)=O)c3ccccc32)cc(C)c1Cl 216780877 PQSJSBVFPOUNND-UHFFFAOYSA-N 356.809 3.730 0 40 FHAB COc1ccc(Oc2cc(C)nc([C@H]3CCN(C(=O)C(C)C)C3)n2)cc1 72383691 OASVGTBHYKTSJG-HNNXBMFYSA-N 355.438 3.558 0 40 FHAB CCOP(=O)(OCC)C(=O)c1ccc(I)cc1 42689432 DBYWSHOXFRUBFP-UHFFFAOYSA-N 368.107 3.698 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)Nc1nnc(-c2ccccc2)s1 222628788 IOFNRSQIMAQUSG-GFCCVEGCSA-N 355.419 3.620 0 40 FHAB COC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccc(C)c(C)c2)c1 224296753 IUZVBQSBEYHBDE-MRXNPFEDSA-N 357.450 3.656 0 40 FHAB C[C@@](O)(CNC(=O)Cc1cccs1)c1ccc(-c2ccccc2)cc1 75155378 FBSPEIQQMCZYDQ-OAQYLSRUSA-N 351.471 3.982 0 40 FHAB COc1cccc(CN2CC[C@H]3COC(=O)N3c3cc(F)ccc3C2)c1 225486719 SFDUWZJEXLZKIT-KRWDZBQOSA-N 356.397 3.565 0 40 FHAB biogenic,in-vitro COc1ccc(CCNC(=O)Nc2ccc(OC)c(OC(F)F)c2)cc1 43995609 FAPDMKCTUILNRW-UHFFFAOYSA-N 366.364 3.669 0 40 FHAB Cc1cc(C)c(C(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1C 225650003 OYGKAXDUPYVMGN-UHFFFAOYSA-N 350.462 3.664 0 40 FHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 225094256 OAVHOMXDUKPEPI-OALUTQOASA-N 366.505 3.870 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccccc1 224096150 SPYCWQULVNUOHW-FQEVSTJZSA-N 352.478 3.563 0 40 FHAB CCc1ccc(N([C@@H](C)C(=O)Nc2ccccc2CC)S(C)(=O)=O)cc1 220261734 HYBCUOUKIDJTEW-HNNXBMFYSA-N 374.506 3.605 0 40 FHAB COc1cccc(NC(=O)CCc2nc(-c3cccc(Cl)c3)no2)c1 41184932 DYSAQTHIBAEGFQ-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB Cc1cccc(O[C@@H]2CCN(C(=O)c3ccccc3SC(F)F)C2)n1 238919154 SUUIZBIFNWDHTF-CYBMUJFWSA-N 364.417 3.998 0 40 FHAB O=C(O)COc1ccc(NC(=O)CCCCCOCc2ccccc2)cc1 98186828 XSZPXKBXHLMYBM-UHFFFAOYSA-N 371.433 3.866 0 40 FHAB CC[C@H](C)n1ncc(NC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)c1C 331626071 MOYPHAVSTKJUKN-SCLBCKFNSA-N 360.433 3.907 0 40 FHAB Cc1ccc(C(=O)N2CC[C@@]3(C[C@@H]3C(=O)Nc3cccc(F)c3)C2)cc1 96227213 LTELXZDFODIDDE-WIYYLYMNSA-N 352.409 3.625 0 40 FHAB CCCn1nccc1-c1nccnc1[C@H]1CCCN(C(=O)C(C)(C)C)C1 257325941 WVCDEBCLIHHVCX-HNNXBMFYSA-N 355.486 3.502 0 40 FHAB C[C@H]1CCC[C@@H](N(C)c2nnc(-c3ccccn3)n2Cc2ccco2)C1 585085304 IZHCDXQOGYGZKV-JKSUJKDBSA-N 351.454 3.996 0 40 FHAB O=C(c1ccnnc1)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257327485 XBNJUAFJGRVWSL-KRWDZBQOSA-N 368.824 3.686 0 40 FHAB Cc1ccc(S(=O)(=O)NC(=O)O[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 254698747 YZWRWDKISIQION-HRCADAONSA-N 351.468 3.769 0 40 FHAB C[C@@H]1COCC[C@@H]1NC(=O)N1CCC(CCc2ccc(F)cc2F)CC1 654546581 WHOMPONUSMTXEZ-KUHUBIRLSA-N 366.452 3.744 0 40 FHAB O=C(NC[C@](O)(c1ccoc1)c1ccco1)c1ccccc1C(F)(F)F 390826220 FSOFUXQBEGGEDK-KRWDZBQOSA-N 365.307 3.557 0 40 FHAB CCc1nccn1[C@@H](C)CC(=O)N[C@@H]1COc2ccc3ccccc3c2C1 952994703 GYVFCZULLGESSZ-RDJZCZTQSA-N 363.461 3.670 0 40 FHAB Cn1ccnc1SCC1CCN(C(=O)c2ccc(Cl)s2)CC1 90608218 IKPCFXJXCQLOTN-UHFFFAOYSA-N 355.916 3.780 0 40 FHAB CC(C)Oc1ccc([C@H](O)CNCc2cn(C)nc2-c2cccs2)cc1 93965576 UHUCXGVFPUAPQI-GOSISDBHSA-N 371.506 3.759 0 40 FHAB Cn1c(O)c(C(=O)Nc2ccc(Cl)cc2Cl)c(=O)c2ccccc21 5521412 IZJAUEMBUHVZKP-UHFFFAOYSA-N 363.200 3.803 0 40 FHAB COc1ccc(-c2nc3cnccn3c2NCc2ccc3c(c2)OCO3)cc1 12113789 WRCFGDCIVWWLSZ-UHFFFAOYSA-N 374.400 3.746 0 40 FHAB COc1ccc(C(=O)CSc2nnc(COc3ccccc3)o2)cc1 12249428 MIDJBRAFOAIOIR-UHFFFAOYSA-N 356.403 3.632 0 40 FHAB CN(C)CCNc1ncc(-c2ccc3c(c2)OCO3)c(-c2cccs2)n1 12325636 CFPLSSLDDJNSAH-UHFFFAOYSA-N 368.462 3.574 0 40 FHAB Cc1cc(C)c(OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c(C)c1 12756369 NHTOXZAPMOIRKB-UHFFFAOYSA-N 352.434 3.522 0 40 FHAB COc1ccc(O)c(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c1 14257620 AAOKSPCMDRIXPZ-UHFFFAOYSA-N 358.463 3.825 0 40 FHAB CC1CCN(C(=O)c2cc([C@@H]3CCCN(Cc4ccccc4)C3)no2)CC1 19496758 YHGFANIZXWMASQ-LJQANCHMSA-N 367.493 3.926 0 40 FHAB C[C@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)c1cccs1 19575486 IYBIJZGYSJROQC-SNVBAGLBSA-N 353.369 3.935 0 40 FHAB CCC(=O)N1CCC(Cc2ccc(-c3cccc(C)c3)cc2)(C(N)=O)CC1 19700525 SPVQVDKUAHPYGI-UHFFFAOYSA-N 364.489 3.709 0 40 FHAB CN(CCn1cncc1-c1cnn(-c2ccc(F)cc2)c1)C1CCCC1 19719683 FCLRUUYUPCUVOV-UHFFFAOYSA-N 353.445 3.749 0 40 FHAB COc1ccc(OC)c(NC(=O)c2ccc(Br)cc2F)c1 4247107 BEMPTMHZJCJNDA-UHFFFAOYSA-N 354.175 3.858 0 40 FHAB CC(C)c1noc2ncc(C(=O)OCc3noc(-c4ccsc4)n3)cc12 25608377 SJZRFUGJVSLCNT-UHFFFAOYSA-N 370.390 3.815 0 40 FHAB CN(C)CCCN(C(=O)c1ccco1)c1nc2c(F)cc(F)cc2s1 4359814 NLBHFXATLSECPM-UHFFFAOYSA-N 365.405 3.766 0 40 FHAB CCCNC(=O)c1sc(NC(=O)Nc2cccc(Cl)c2)nc1C 8771731 IQIGXNJJMNCLAQ-UHFFFAOYSA-N 352.847 3.889 0 40 FHAB Cc1ccc(C(=O)CSc2nccn(-c3ccc(F)cc3)c2=O)c(C)c1 12415272 PTHCMJKBCKSXBW-UHFFFAOYSA-N 368.433 3.963 0 40 FHAB CCC[C@@H](O)c1cc2c(cc1NC(=O)c1ccc(OC)cc1)OCCO2 20096362 BIQGFDNOTOQUKH-QGZVFWFLSA-N 357.406 3.552 0 40 FHAB COc1cccc([C@@H](c2sc3ncnn3c2O)N2C[C@@H](C)C[C@@H](C)C2)c1 22609833 UMFZSOKLQBKPFH-ZENOOKHLSA-N 372.494 3.572 0 40 FHAB Oc1c([C@H](c2cccs2)N2CCc3ccccc3C2)sc2ncnn12 22610229 ZGKJJZDDKOXPKV-HNNXBMFYSA-N 368.487 3.706 0 40 FHAB CCN(CC)CCn1cc(Nc2ncnc3sc4c(c23)CCCC4)cn1 40155579 IFVAAMATYKEWKE-UHFFFAOYSA-N 370.526 3.852 0 40 FHAB CCc1ccc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)NC2CCCCC2)cc1 40149029 LUNSQODAUWRJCX-JXFKEZNVSA-N 371.525 3.933 0 40 FHAB O=C(COc1ccccc1)NCc1ccc(-c2nc3cnccc3o2)cc1 32093644 PGNTVCOQRAVMIJ-UHFFFAOYSA-N 359.385 3.585 0 40 FHAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc(O)c1)SCC(=O)N2 20892466 AFGJRQJGHARHBO-GOSISDBHSA-N 351.431 3.661 0 40 FHAB CCN(Cc1ccccc1)S(=O)(=O)c1cc(OC)c(Cl)cc1OC 32603634 ZGJQRLOQZIQLJK-UHFFFAOYSA-N 369.870 3.568 0 40 FHAB CC(C)=C[C@H]1[C@H](C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)C1(C)C 32888987 OHZQFKZWNQQQDQ-DLBZAZTESA-N 351.454 3.852 0 40 FHAB CCOc1ccc(CCNC(=O)CCC(=O)c2ccccc2)cc1OCC 32981949 GRGYRFZIUUJMBN-UHFFFAOYSA-N 369.461 3.806 0 40 FHAB CCn1c(SCC(=O)N2CCCC[C@@H]2C)nnc1-c1cccs1 779345 DXMQXCOVWIFOTI-LBPRGKRZSA-N 350.513 3.520 0 40 FHAB CN1C(=O)N(c2ccccc2)[C@H](N(O)C(=O)Nc2ccccc2)C1(C)C 1277703 CMZHVQYRQUBNFW-MRXNPFEDSA-N 354.410 3.586 0 40 FHAB CCCOc1ccc(-c2csc3ncn([C@H](C)C(=O)OC)c(=O)c23)cc1 1911966 WRWPOGBOXYVOLO-GFCCVEGCSA-N 372.446 3.648 0 40 FHAB CCOC(=O)c1sc(NC(=O)COc2ccc(C(C)C)cc2)nc1C 2725708 QEMYHMNDEBBNJJ-UHFFFAOYSA-N 362.451 3.769 0 40 FHAB Cc1nn(C[C@H](C)C(=O)Nc2ccccc2F)c(C)c1Br 2794812 DTCFBQVJSLNWOF-VIFPVBQESA-N 354.223 3.676 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC(C)(C)C)c2)c(C)c1 3215719 CPYAZEWMMKKTJH-UHFFFAOYSA-N 360.479 3.633 0 40 FHAB O=C(COC(=O)/C=C/c1ccccc1)Nc1cccc(Br)c1 3225088 LOHWEQQCKIMVBN-MDZDMXLPSA-N 360.207 3.644 0 40 FHAB COc1ccc2c(CC(=O)Nc3cc(NC(C)=O)ccc3OC)coc2c1 3525055 DVXBOUJKJMAMCA-UHFFFAOYSA-N 368.389 3.590 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H](CC(C)C)NC(=O)C2CCCCC2)c1 3895776 MSPYAQSRENUYSV-IBGZPJMESA-N 358.482 3.939 0 40 FHAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 4009364 HMXPCWMYCMTPFV-MRXNPFEDSA-N 374.481 3.788 0 40 FHAB COc1ccc2nc(S[C@@H](C)C(=O)N3CCc4ccccc43)[nH]c2c1 4252486 OFOWFDLYSIGNJL-LBPRGKRZSA-N 353.447 3.641 0 40 FHAB Cc1c(Cl)cccc1NC(=O)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 4373957 KGMFHEPRINHJRH-ZDUSSCGKSA-N 361.804 3.715 0 40 FHAB Cc1cc(S(=O)(=O)c2cc3cc(Cl)ccc3oc2=O)ccc1F 4484161 RCEMSNYTENFYFM-UHFFFAOYSA-N 352.770 3.727 0 40 FHAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)N3CCCC3)n2C(C)C)cc1 4549198 MFIIHEZULWLJPN-AWEZNQCLSA-N 374.510 3.638 0 40 FHAB COc1cccc2cc(C(=O)NC(C)=O)/c(=N/c3cccc(C)c3C)oc12 4676657 UFGFNOJUJQIMMO-LNVKXUELSA-N 364.401 3.567 0 40 FHAB C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C(=O)OCC(F)(F)F)c1ccccc1 4689381 SHHRHMGWCHDCDR-QEJZJMRPSA-N 357.372 3.776 0 40 FHAB O=C(N/C(=C\c1ccco1)C(=O)N1CCc2ccccc2C1)c1ccccc1 4954024 PMTLSKVFLXBLLI-QNGOZBTKSA-N 372.424 3.635 0 40 FHAB O=C(Nc1ccccc1F)C1CCN(C(=O)Nc2ccc(F)cc2)CC1 4965485 AXVHKURWLDBMIS-UHFFFAOYSA-N 359.376 3.847 0 40 FHAB CC(=O)N[C@@H]1C(=O)N(CCOc2ccc3ccccc3c2)c2ccc(C)cc21 4993205 WMBZCVAUTBIEOT-QFIPXVFZSA-N 374.440 3.751 0 40 FHAB COCc1ccc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 5254879 FRSXYYYPFOAJPO-UHFFFAOYSA-N 367.323 3.647 0 40 FHAB Cc1ccccc1-c1nnn(CC(=O)Nc2c(Cl)cccc2Cl)n1 5326928 QVHJGHLLCWZVLR-UHFFFAOYSA-N 362.220 3.594 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)s1 5330149 SRSAAKOLMFTKDG-UHFFFAOYSA-N 364.492 3.683 0 40 FHAB COc1ccc(-c2ccc(=O)n(Cc3cc(C)ccc3C)n2)cc1OC 5388723 ZLVPJNVQLYXQAS-UHFFFAOYSA-N 350.418 3.593 0 40 FHAB Cc1ccc2nc(COC(=O)c3ccc(Cl)c(Cl)c3)cc(=O)n2c1 5429976 SDHIBUCLOBJKHI-UHFFFAOYSA-N 363.200 3.667 0 40 FHAB C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)c1ccccc1 5561525 GYMISQOTHSKEPP-ZLXGRDSLSA-N 366.486 3.912 0 40 FHAB CN1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)CC1 6287877 ZILJKPPJLDSWDO-NYYWCZLTSA-N 355.869 3.744 0 40 FHAB CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccccn3)c(Cl)cc12 6672063 UNNJDANTBFKSDS-UHFFFAOYSA-N 372.808 3.811 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)N2CCN(c3ccccc3F)CC2)c(C)c1 7495430 TZPDIVAEGJQPDE-QGZVFWFLSA-N 356.441 3.559 0 40 FHAB COc1cc(OC)c(N[C@H](C(=O)NC2CC2)c2ccccc2)cc1Cl 7546452 RSFSRJPCOMZNSP-SFHVURJKSA-N 360.841 3.789 0 40 FHAB COc1ccc(C)cc1NC(=O)CCc1nnc(-c2ccc(C)cc2)o1 7950693 HDPUAZGDPYHTKX-UHFFFAOYSA-N 351.406 3.933 0 40 FHAB COc1cc(C=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl 8110885 ODFYWQUCCJOXNU-UHFFFAOYSA-N 354.189 3.832 0 40 FHAB Cn1nnnc1Sc1ncnc2scc(-c3ccc(Cl)cc3)c12 8131984 UFJAIMORMYXBTD-UHFFFAOYSA-N 360.855 3.686 0 40 FHAB CC(C)n1ncc2c(C(=O)NCCc3cccs3)cc(C3CC3)nc21 8226307 BYJROJNFTHGBEQ-UHFFFAOYSA-N 354.479 3.924 0 40 FHAB COc1ccc2c(CC(=O)Nc3ccnn3Cc3ccc(C)o3)coc2c1 8345375 KFDNRDJQYBTHDM-UHFFFAOYSA-N 365.389 3.769 0 40 FHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1 8413332 PAHIMFBHEKMMBU-UHFFFAOYSA-N 374.824 3.549 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2cc(OC)ccc2OC)c1C 8429158 ARMVWAPERAMEKK-CYBMUJFWSA-N 374.437 3.509 0 40 FHAB CC(=O)NCCc1ccc(C(=O)COc2ccc(Cl)cc2Cl)s1 8884405 UYFUUYODSLNNHR-UHFFFAOYSA-N 372.273 3.995 0 40 FHAB CC[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(C)cc2)n1C 9365640 UAGNTZPPGYQNHU-MRXNPFEDSA-N 358.511 3.674 0 40 FHAB COc1cccc(-c2nnc(S[C@H](C)C(=O)c3ccc(F)cc3)n2C)c1 9450791 XCOOHUMXIZNUHE-GFCCVEGCSA-N 371.437 3.993 0 40 FHAB O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCC[C@H]1c1ccccc1 9958789 DKXFHHMQUJXKCD-INIZCTEOSA-N 365.401 3.660 0 40 FHAB COc1cccc2c(C)nc(Nc3nc(-c4ccccc4C)cc(=O)[nH]3)nc12 10157417 ZHUNVTJVCNGYOF-UHFFFAOYSA-N 373.416 3.749 0 40 FHAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC1(c2ccccc2)CCC1 10221455 YNKDDCSIWJCJKV-HNNXBMFYSA-N 370.880 3.696 0 40 FHAB COc1ccc(OCc2nnc3sc(-c4cccc(F)c4)nn23)cc1 10312281 DTNHOYJTMVAWGC-UHFFFAOYSA-N 356.382 3.580 0 40 FHAB COc1cc(C(=O)Oc2ccc(C)c3c2C(=O)C[C@H]3C)cc(OC)c1OC 10650859 WSDFDCBLYZTONN-GFCCVEGCSA-N 370.401 3.930 0 40 FHAB Cc1nc(C)c(C(=O)N2CCC(c3nc4ccc(F)cc4cc3N)CC2)o1 12087998 BRWKSOUXRDAVLM-UHFFFAOYSA-N 368.412 3.581 0 40 FHAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3ccc(F)c(F)c3)CC1)O2 12113645 WNSABZPWGJPWBA-UHFFFAOYSA-N 371.383 3.913 0 40 FHAB CCCC(=O)N1CCC(c2cc3nc(CC)cc(C(F)(F)F)n3n2)CC1 12160450 GGOPTGUHEFPUCK-UHFFFAOYSA-N 368.403 3.817 0 40 FHAB CCn1c(C)cc(C(=O)CSc2ncc(F)c(N3CCCC3)n2)c1C 12322190 RGXKQJUISAKAST-UHFFFAOYSA-N 362.474 3.629 0 40 FHAB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccncc2)cc1 12551249 SNOILOIPKNYDQZ-HZPDHXFCSA-N 367.449 3.502 0 40 FHAB CC(=O)Nc1cc(N[C@@H](C)C(=O)Nc2ccc3c(c2)CCC3)ccc1F 12752111 ZOZULOVNHURFQG-LBPRGKRZSA-N 355.413 3.712 0 40 FHAB O=C(CSc1ccccc1C(=O)O)Nc1ccc(OC(F)F)cc1 12759160 NHTXNFALOLOKKY-UHFFFAOYSA-N 353.346 3.717 0 40 FHAB Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2ncc(C)s2)c1 12822583 GHTUFBDFUQYMDB-UHFFFAOYSA-N 358.492 3.985 0 40 FHAB Cc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)nc1 12823850 KMEIADCJBJHRBO-UHFFFAOYSA-N 364.302 3.986 0 40 FHAB O=S(=O)(N1CCCCCC1)N1CCC[C@H]1c1nc2ccccc2s1 12913519 ILIODSXHHQUFCD-HNNXBMFYSA-N 365.524 3.554 0 40 FHAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)C1 12987266 QHIWXOMSBLSURV-LVCYWYKZSA-N 364.489 3.532 0 40 FHAB COc1ccc(CN(Cc2ccc(F)cc2)Cc2cccnc2)cc1CO 13569157 CZYJRPXUPDTFGO-UHFFFAOYSA-N 366.436 3.924 0 40 FHAB COc1ccc(NC(=O)NCCC(=O)Nc2ccc(F)c(Cl)c2)cc1 14106310 TZGVPIYTHPBOBT-UHFFFAOYSA-N 365.792 3.638 0 40 FHAB COc1ccc(CNC(=O)CN[C@H](C)c2ccc3c(c2)CCCC3)cc1 14165321 PWYKZERIFQCJQC-MRXNPFEDSA-N 352.478 3.541 0 40 FHAB COc1ccc(Nc2c(-c3ccc(O)c(OC)c3)nc3ncccn23)cc1 15414490 JQRJQUUPGJNLNO-UHFFFAOYSA-N 362.389 3.863 0 40 FHAB Cc1cc(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)c(C)n1C1CC1 16694588 SJBONRVIAOVBAU-IBGZPJMESA-N 352.434 3.617 0 40 FHAB Cc1ccc(Cn2nc(-c3cn(C)nc3C)cc2-c2cn(C)nc2C)cc1 17074275 FIFGOXBKMWKZHL-UHFFFAOYSA-N 360.465 3.658 0 40 FHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@H](C)Oc2cccc(F)c2)c1 19078604 WGAKYKNLOHPPCL-LIRRHRJNSA-N 373.424 3.974 0 40 FHAB CC1CCN([C@H](C(=O)N2CCC(N3CCCC3)CC2)c2ccccc2)CC1 19659664 ZORMOZJDMPRBTD-QFIPXVFZSA-N 369.553 3.546 0 40 FHAB CCn1c(C)nc2cc(NC(=O)c3cn4cc(Cl)ccc4n3)ccc21 19716739 GCHAGXPDNQXWIV-UHFFFAOYSA-N 353.813 3.918 0 40 FHAB CCN1CCN(C(=O)c2ccc(OCCSc3ccccc3)cc2)CC1 19931755 SKMDCOZWLZMARA-UHFFFAOYSA-N 370.518 3.635 0 40 FHAB c1ccc(CNc2nc3ccccc3c3nc(-c4cccnc4)nn23)cc1 20377101 XSNFUXWNOKQTDX-UHFFFAOYSA-N 352.401 3.952 0 40 FHAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc2ccccc2c1 21962738 IMROYEDZWIZGEE-HXUWFJFHSA-N 358.397 3.747 0 40 FHAB in-vitro CN(C)c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cn1 22421400 LETBRJMQKQWJKF-UHFFFAOYSA-N 372.375 3.652 0 40 FHAB CCOC(=O)N1CCC[C@H](C(=O)N(C)Cc2ccc3ccccc3c2)C1 23082078 XICIRDGEYUIQAI-IBGZPJMESA-N 354.450 3.667 0 40 FHAB c1ccc(-n2cc(CNC[C@@H](c3cccs3)N3CCCC3)cn2)cc1 23248930 GJCPGPGNOJJHOW-IBGZPJMESA-N 352.507 3.861 0 40 FHAB CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(N(C)C)c(C)c2)CC1=O 24818622 WDWPPRIPUYMYAD-QGZVFWFLSA-N 365.477 3.615 0 40 FHAB Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@@H](c1ccsc1)N(C)C 25332027 GEQDUXQRUGHGLU-SFHVURJKSA-N 369.490 3.673 0 40 FHAB COc1ccccc1Nc1ncccc1C(=O)OCc1c(C)noc1C 25403818 LZCHEPSSJDQCIR-UHFFFAOYSA-N 353.378 3.796 0 40 FHAB CC(C)[C@@H](CNC(=O)c1cc(-c2ccccn2)nc2ccccc12)N(C)C 25451486 MWUTXSCWDNVJDP-OAQYLSRUSA-N 362.477 3.613 0 40 FHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(OC)cc2)cc1 25658009 VOAAFNGNUCMVAT-IBGZPJMESA-N 361.463 3.620 0 40 FHAB C[C@H](C(=O)Nc1cccc(NC(=O)c2ccc(F)c(F)c2)c1)n1cccn1 27083332 VAFRAGWPEWLQOZ-GFCCVEGCSA-N 370.359 3.613 0 40 FHAB O=C(Nc1ccccc1F)[C@@H]1CC(O)=Nc2cc(-c3ccc(F)cc3)nn21 32072418 BEQQFLHLKYUETR-INIZCTEOSA-N 368.343 4.000 0 40 FHAB CCc1ccc(OCC(=O)NCc2cccc(CN3CCCC3)c2)cc1 32462268 DERSZFYLVBPNNV-UHFFFAOYSA-N 352.478 3.540 0 40 FHAB C[C@H](Oc1ccccc1F)C(=O)Nc1noc(-c2cccc(Cl)c2)n1 32623291 OVESGOSXSUIMTI-JTQLQIEISA-N 361.760 3.935 0 40 FHAB CCn1cc(C(=O)N(C)Cc2ccc(OC)c(OC)c2)c2ccccc21 32787179 KQTNMELXJBCDQH-UHFFFAOYSA-N 352.434 3.951 0 40 FHAB O=C(NC1CCN(C(=O)CCc2ccccc2Cl)CC1)c1ccccc1 32865103 MITHMHBWVXBOKP-UHFFFAOYSA-N 370.880 3.694 0 40 FHAB CC(=O)N[C@@H](CC(=O)Nc1ccc(F)c(F)c1)c1ccccc1Cl 32922303 UBKVIVPXECVGAG-INIZCTEOSA-N 352.768 3.824 0 40 FHAB COCCN1CCCc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc21 35588249 JOPSVPVKJJBREU-UHFFFAOYSA-N 374.506 3.503 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)Oc2ccc(F)cc2)c(OC)c1 39983255 NLIJUNDASPGFHW-LIRRHRJNSA-N 373.424 3.974 0 40 FHAB Cc1sc2nc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)nc(N)c2c1C 40062998 SIRDJMLMPNWYHO-JOYOIKCWSA-N 364.540 3.677 0 40 FHAB CCn1nc(C)c(CN(CCCn2ccnc2)Cc2ccccc2F)c1C 43277855 FMWVFNOGFNILCX-UHFFFAOYSA-N 369.488 3.948 0 40 FHAB Cc1cc(C(=O)NCC2CCN(C(=O)Nc3ccc(F)cc3)CC2)c(C)o1 44005321 PAJMUYYGONTRJZ-UHFFFAOYSA-N 373.428 3.709 0 40 FHAB CC(C)c1cc(C(=O)N(C)Cc2ccc3c(c2)OCO3)nn1C(C)(C)C 44340764 QMCOWTHGJMRDGU-UHFFFAOYSA-N 357.454 3.762 0 40 FHAB Clc1cc(-c2nn3cnnc3s2)cc(Cl)c1Br 45920143 DBLUZZXPQBDYSQ-UHFFFAOYSA-N 350.028 3.922 0 40 FHAB CC(C)Oc1ccc(CNC(=O)c2ccc3c(O)[nH]c(=S)nc3c2)cc1 47086504 BBYPGHHRIBACMW-UHFFFAOYSA-N 369.446 3.715 0 40 FHAB O=C(CSc1nncs1)N[C@@H]1CCSc2ccc(Cl)cc21 48294109 WJMWPNXNFQKTSZ-SNVBAGLBSA-N 357.913 3.637 0 40 FHAB COC(=O)c1cc(NCC(=O)N2c3ccccc3CC[C@H]2C)c(F)cc1F 48354274 NZCQASNKLNCERN-GFCCVEGCSA-N 374.387 3.531 0 40 FHAB CCS(=O)(=O)Nc1ccc(NC(=O)c2cccc3cccnc23)cc1C 48375162 RWQBHYFIMZFMIB-UHFFFAOYSA-N 369.446 3.557 0 40 FHAB COc1ccc([C@@H]2CCCCCN2C(=O)c2c[nH]c(=O)c(Cl)c2)cc1 55069619 QODZULAUNIQCEF-KRWDZBQOSA-N 360.841 3.794 0 40 FHAB O=C(CNc1ccccc1F)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 57830447 MMEWVPBBMOZYLW-GOSISDBHSA-N 370.424 3.763 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)c2[nH]c(C)c(C(C)=O)c2C)c(OC)c1 58349043 OODVHMNYTUPGBI-KRWDZBQOSA-N 370.449 3.829 0 40 FHAB Cc1[nH]c2ccccc2c1C1CCN(C(=O)[C@@H](C)OC[C@@H]2CCCO2)CC1 58428549 RHKQMPZRFSCMHH-AEFFLSMTSA-N 370.493 3.766 0 40 FHAB CN(C)CCn1c(SCc2ccc(Cl)cc2)nc2ccccc2c1=O 67258710 UXPAGODMPOGJQT-UHFFFAOYSA-N 373.909 3.904 0 40 FHAB COC(=O)c1ccc(C(=O)NCc2cc(C)cc3c(C)c(C)[nH]c23)cc1 69514760 YOUDCERMIJFTMP-UHFFFAOYSA-N 350.418 3.810 0 40 FHAB Cc1ccc(-c2[nH]ncc2C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1 72328661 XFSFASOZBDKHIZ-UHFFFAOYSA-N 360.461 3.656 0 40 FHAB COc1ccc([C@@H](C)NC(=O)c2cn[nH]c2-c2ccccc2)cc1OC 72328824 VTQIVICTRFXBPL-CYBMUJFWSA-N 351.406 3.585 0 40 FHAB COc1ccc(C)cc1C(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 75107170 RZOBAASXYCMOKL-SFHVURJKSA-N 369.852 3.873 0 40 FHAB COCCOc1ncccc1C(=O)N[C@H]1CCC(C)(C)c2ccccc21 84673351 DHXWLJUSGVSIGO-SFHVURJKSA-N 354.450 3.649 0 40 FHAB O=C(NC1CCC(c2ccccc2)CC1)[C@@H]1CCCN1c1nccs1 89828068 GGXIGOBKESTRMV-ABHNRTSZSA-N 355.507 3.955 0 40 FHAB COc1ccc2c(c1)N(C(=O)c1ncccc1C(F)(F)F)C[C@@H](C)O2 92416907 SPBHCVDFTSBTNL-SNVBAGLBSA-N 352.312 3.537 0 40 FHAB c1ccc(CN2CCC3(CC2)CN(C[C@H]2CCCO2)c2ccccc23)nc1 96078841 DEBHNDPWFQRVLZ-HXUWFJFHSA-N 363.505 3.614 0 40 FHAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 100179117 AHRHOXMJGPWESI-BCIPIUJLSA-N 367.754 3.916 0 40 FHAB C[C@H](NC(=O)c1ncn(C2=C=C=C(Cl)C=C2)n1)c1ccc(Cl)cc1 103984617 DHDWJHTZAVUBTG-NSHDSACASA-N 359.216 3.710 0 40 FHAB O=C(NCCc1c[nH]c2cc(F)ccc12)N1CCCC[C@H]1c1ncc[nH]1 106550769 MVCWCCSEXVVCQY-KRWDZBQOSA-N 355.417 3.509 0 40 FHAB O=C1NCCCC[C@@H]1Sc1nccn1-c1ccc(C(F)(F)F)cc1 110151907 IKCRUFWRXHHJHT-ZDUSSCGKSA-N 355.385 3.652 0 40 FHAB CNC(=O)c1cccc(OC(=O)c2cc(C(C)C)n(-c3ccccc3)n2)c1 119590572 UCSDICWWCRXMAZ-UHFFFAOYSA-N 363.417 3.575 0 40 FHAB C[C@H]1CN(C(=O)c2cnc(-c3ccc(F)c(F)c3)s2)c2cccnc2O1 161751597 ADFYOIKXGKOWJX-JTQLQIEISA-N 373.384 3.911 0 40 FHAB Fc1cc(CN2CCN(Cc3ccccc3)CC2)ccc1Br 199737680 RFXJKFXVCWSWGF-UHFFFAOYSA-N 363.274 3.906 0 40 FHAB Cc1cc(OCC(=O)NCCSCc2ccco2)cc(C)c1Cl 218918765 UEMQKGCXOFNYPE-UHFFFAOYSA-N 353.871 3.978 0 40 FHAB CCC(CC)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 224000614 WMKXCDGQSIPWSE-UHFFFAOYSA-N 360.479 3.714 0 40 FHAB Cc1cc(C)c(C)c(OCC(=O)NCc2cccc(CN3CCCC3)c2)c1 224618282 XZQYWLZGPZINON-UHFFFAOYSA-N 366.505 3.903 0 40 FHAB COc1ccc(C[C@@](C)(O)CNC(=O)c2cc3ccccc3s2)cc1 225618578 NMZWDRJIZXMGHJ-HXUWFJFHSA-N 355.459 3.633 0 40 FHAB Fc1cccnc1OCC[C@@H]1CCOC12CCN(Cc1ccoc1)CC2 247518336 KORGUVCSUMMEOB-QGZVFWFLSA-N 360.429 3.654 0 40 FHAB Fc1ccccc1Cc1cnc([C@@H]2CCCN(Cc3cnccn3)C2)o1 257331633 XTQPXPJVEHXUGG-MRXNPFEDSA-N 352.413 3.574 0 40 FHAB Cc1cc(F)ccc1NC(=O)[C@@H]1CSCN1C(=O)OCc1ccccc1 408737279 NCZMKZSRYWYIAZ-KRWDZBQOSA-N 374.437 3.784 0 40 FHAB CN(C)C(=O)c1ccc(NC(=O)NCC2CCc3ccccc3CC2)cc1 528878175 ODRPJZYKJDAZCM-UHFFFAOYSA-N 365.477 3.705 0 40 FHAB C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 562147750 RQLGLEFVAZXXBK-GDBMZVCRSA-N 373.888 3.616 0 40 FHAB Cc1ccc(C)c([C@@H]2CN(CCOc3cccc(C(=O)O)c3)[C@@H](C)CO2)c1 563284607 XVSPGEULTIQBED-UWJYYQICSA-N 369.461 3.842 0 40 FHAB O=C(c1cc2ccccc2s1)N1CCCN(C2CCSCC2)CC1 575605271 CHAIZJWUXMJCTC-UHFFFAOYSA-N 360.548 3.945 0 40 FHAB Cc1cc(CN(C)C[C@@H](O)C(F)(F)F)cc(C)c1OCc1ccccn1 585084571 ALCPMZREJSFHHA-QGZVFWFLSA-N 368.399 3.632 0 40 FHAB Cc1cccc(CN2CCC3(CCN(C(=O)c4ccccc4)CC3)C2=O)c1 585099766 NMEZNBQMIDUERO-UHFFFAOYSA-N 362.473 3.650 0 40 FHAB Brc1csc(-c2noc([C@@H]3CCc4c[nH]nc4C3)n2)c1 608345616 IEOYPHQIPNMWOI-SSDOTTSWSA-N 351.229 3.556 0 40 FHAB O=C(O)c1cccc2c1CN(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)CC2 649258598 XFNZTQRMWLWYPQ-STQMWFEESA-N 355.356 3.638 0 40 FHAB C[C@@H](NC(=O)c1ccc2c(c1)[C@@H](CN)CCC2)c1cccc(-n2ccnc2)c1 659283816 CURNUYYCUCMTIZ-OXQOHEQNSA-N 374.488 3.742 0 40 FHAB CCN(C)C(=O)c1cccc(NC(=O)N2CCC([C@@H]3CCCCO3)CC2)c1 667093891 GBPXMKQSIJLVOE-IBGZPJMESA-N 373.497 3.592 0 40 FHAB C[C@H]1CCN(c2cc(C(=O)Nc3nc4cccc(Cl)c4n3C)ccn2)C1 681006688 OUOGDIYJWYULTF-LBPRGKRZSA-N 369.856 3.720 0 40 FHAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCc3c(Cl)cccc32)c1 1543727307 DBDRTJQMWMHXBU-MRXNPFEDSA-N 356.809 3.587 0 40 FHAB Cc1ccccc1NC(=O)N1C[C@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888897359 MELVYHQPOVFZEY-FOIQADDNSA-N 370.428 3.637 0 40 FHAB CC1(C)CC(NC(=O)COc2ccc(Cl)cc2Cl)CC(C)(C)N1 793090 KYALZCKKFVRMAC-UHFFFAOYSA-N 359.297 3.798 0 40 FHAB Cn1ncc(Cl)c1-c1nnc2sc(-c3ccccc3Cl)nn12 79464324 QESBTPBHUHKUDC-UHFFFAOYSA-N 351.222 3.560 0 40 FHAB CCOC(=O)c1ccc(O[C@@H]2CCCCO2)c(O[C@H]2CCCCO2)c1 1727292 KTXMVCSMCQJGMZ-MSOLQXFVSA-N 350.411 3.674 0 40 FHAB CCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 6462779 KRSWRKPSEBPNKU-UHFFFAOYSA-N 373.884 3.664 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc(F)c(F)cc2Cl)c1C 7646170 MXCPMKRCAYUBIG-UHFFFAOYSA-N 369.751 3.805 0 40 FHAB O=c1c2ccccc2[nH]c(=S)n1-c1cccc(OC[C@@H]2CCCO2)c1 12540884 OIKDODSSNYZCHN-HNNXBMFYSA-N 354.431 3.606 0 40 FHAB COc1ccc(C(C)=O)cc1CN1CCN(c2cccc(Cl)c2)CC1 57440634 FYUQQGGAWXFCTH-UHFFFAOYSA-N 358.869 3.873 0 40 FHAB O=C(NCCCOCc1ccco1)Nc1cccc(N2CCCCC2=O)c1 44305416 OKVPMNIWLKISTG-UHFFFAOYSA-N 371.437 3.525 0 40 FHAB Cc1ccc(NC(=O)NC(=O)CN2CCSc3ccccc32)cc1C 8492431 CMQHKHVPDIQKGM-UHFFFAOYSA-N 355.463 3.564 0 40 FHAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2c(CC)cccc2CC)n1 8816055 VQIXHEINRNMMFD-UHFFFAOYSA-N 359.495 3.578 0 40 FHAB CCc1oc2ccccc2c1/C=C/C(=O)Nc1cccc(-n2cnnn2)c1 27228400 UEIBHIVETXHBFI-ZHACJKMWSA-N 359.389 3.623 0 40 FHAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1(C)C 58087752 XFCDZKUKLIRXHI-KBPBESRZSA-N 357.422 3.860 0 40 FHAB C[C@@H](c1ccc(F)c(Cl)c1)N1CCC(C(=O)Nc2cnccn2)CC1 58172460 RKPUKCHZOHDUPX-LBPRGKRZSA-N 362.836 3.681 0 40 FHAB COc1ccc([C@@H](CNC(=O)c2cccc(C)c2)N2CCCCC2)cc1 27667834 CSPISBMLWUYQLR-OAQYLSRUSA-N 352.478 3.961 0 40 FHAB biogenic COC(=O)c1cc(NC(=O)CCCc2nc(C(C)(C)C)no2)cc(C)c1C 58218394 HIKIPLUBPYRVML-UHFFFAOYSA-N 373.453 3.732 0 40 FHAB CCOC(=O)c1c(N)sc2c(O)c([S@@](=O)c3ccccc3)ccc12 9943019 XMKIGZJRAPZSPN-XMMPIXPASA-N 361.444 3.533 0 40 FHAB CCCC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nncn2C2CC2)cc1 10649152 LXMPDXOBURSJDQ-GFCCVEGCSA-N 358.467 3.715 0 40 FHAB Cc1ccc(NC(=O)COC(=O)c2nc(Cl)ccc2Cl)cc1F 3367363 AJEORINGRDPZJB-UHFFFAOYSA-N 357.168 3.631 0 40 FHAB O=c1c2ccccc2nc(CN2CCCc3ccccc32)n1Cc1ccco1 12564749 VDVYQKKHHNKZPZ-UHFFFAOYSA-N 371.440 3.991 0 40 FHAB NC(=O)c1c(NC(=O)COc2ccc3ccccc3c2)sc2c1CCC2 2352617 JTMYAOCLKJNYPO-UHFFFAOYSA-N 366.442 3.506 0 40 FHAB Fc1cccc(Br)c1[C@@H]1C[C@@H](c2cccnc2)Nc2ncnn21 2500129 QTNPNNZEDCPQJI-KBPBESRZSA-N 374.217 3.721 0 40 FHAB CCN(CC)C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 2633911 DZHXZSMPYUMPNL-UHFFFAOYSA-N 352.390 3.520 0 40 FHAB O=C1/C(=C/c2cccc(OC(F)(F)C(F)F)c2)N=C(S)N1C1CC1 2788941 QYTVYFNTVAUBSB-XFFZJAGNSA-N 360.332 3.555 0 40 FHAB CCOc1ccc(-n2nnc(C(=O)Nc3ccccc3Cl)c2C)cc1 2713287 NYISKBYARCAMRX-UHFFFAOYSA-N 356.813 3.880 0 40 FHAB CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(Cl)cc2)CC1 46902430 NGPQJUNSMGTDBX-UHFFFAOYSA-N 353.850 3.861 0 40 FHAB Cc1cccc(NC(=O)CNC(=O)N[C@@H](c2ccccc2)C2CC2)c1C 9935886 AYZGMXSYYKFNJP-FQEVSTJZSA-N 351.450 3.692 0 40 FHAB O=C(COc1ccccc1)NC[C@H](c1ccccc1Cl)N1CCCC1 27583853 LDERTSPJYRHYSU-LJQANCHMSA-N 358.869 3.672 0 40 FHAB CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc(-c3cnco3)c2)CC1 48281875 UGUNWVQXMQUGDN-UHFFFAOYSA-N 371.437 3.927 0 40 FHAB CCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 3355129 SOHDNUIXGZKHGM-IBGZPJMESA-N 356.491 3.546 0 40 FHAB O=C(CCN1C(=O)CSc2ccccc21)Nc1cc(Cl)ccc1F 12862354 CKCUNKYTPAAPFO-UHFFFAOYSA-N 364.829 3.947 0 40 FHAB COc1ccc(-c2nnc(S[C@H](C)C(=O)N(C)c3ccccc3)o2)cc1 3450694 PSEPPENKRNXHNU-CYBMUJFWSA-N 369.446 3.889 0 40 FHAB COc1ccc(CN(C(=O)c2cc[nH]n2)[C@@H]2CCCC[C@H]2C)cc1OC 93367609 CQLQSFQHTWNTRH-RHSMWYFYSA-N 357.454 3.648 0 40 FHAB CCOc1cc2c(cc1NC(=O)Cc1noc3ccccc13)O[C@H](C)C2 12939589 HNQDAHNGMGLHMS-GFCCVEGCSA-N 352.390 3.731 0 40 FHAB COc1cc(OC)c(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1OC 12901942 YWLKNFSAIOOWBG-LBPRGKRZSA-N 355.390 3.950 0 40 FHAB COc1ccc([C@@H](CNC(=O)Nc2ccccc2OC)N2CCCC2)cc1 12998924 LDIIEKYCVOOUSM-LJQANCHMSA-N 369.465 3.662 0 40 FHAB Cc1oncc1NC(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 96013199 RLPPSVWUNVHUCX-UHFFFAOYSA-N 352.847 3.834 0 40 FHAB C[C@@H](NC(=O)[C@@]1(C)CCCN1C(=O)OC(C)(C)C)c1ccc(F)c(F)c1 84647881 QDDPEEBKDWXKFI-CWTRNNRKSA-N 368.424 3.932 0 40 FHAB O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1ccoc1 25018298 UQQDFUGIAIUXQL-UHFFFAOYSA-N 350.330 3.513 0 40 FHAB CN(C)C(=O)COc1ccc(NC(=O)c2ccccc2C(C)(C)C)cc1 95429792 ZWRRVNMILQFILQ-UHFFFAOYSA-N 354.450 3.703 0 40 FHAB O=C(CCc1ccccc1F)Nc1cc(Cl)ccc1N1CCOCC1 9470841 PKCZOMPTWQTKMQ-UHFFFAOYSA-N 362.832 3.887 0 40 FHAB COC(=O)Cc1c(C)c2c(OCc3ccccc3)cc(C)cc2oc1=O 5547138 XSDICLHUFBVINT-UHFFFAOYSA-N 352.386 3.704 0 40 FHAB O=C(NCc1ccco1)C(=O)Nc1c(-c2ccccc2)[nH]c2ccccc12 9418522 AAJIYPYABBMURP-UHFFFAOYSA-N 359.385 3.683 0 40 FHAB Cc1ccc(-c2cc(C(=O)OCC(=O)NCC(C)C)c3ccccc3n2)o1 6790625 NEMIUHKUZJWUIB-UHFFFAOYSA-N 366.417 3.732 0 40 FHAB C[C@@H](C(=O)N1CCCCCC1)N1CCC(c2nc3ccccc3o2)CC1 9500012 SWJVZJPSNLMEIL-INIZCTEOSA-N 355.482 3.798 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(Cc3ccccc3)o2)c1C 4934313 OZNPWWQJDINXCT-UHFFFAOYSA-N 369.446 3.783 0 40 FHAB CCc1cccc(S(=O)(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 80937989 LUHSVAYLPTYLOX-UHFFFAOYSA-N 355.463 3.852 0 40 FHAB COc1ccccc1-c1noc(COc2ccc3c(C)cc(=O)oc3c2)n1 8006657 MURIGRPJYFSSRA-UHFFFAOYSA-N 364.357 3.739 0 40 FHAB Cc1cc(C)n(CCCNC(=O)c2ccccc2COc2ccccc2)n1 8076184 UQHLZGVBOJCKGU-UHFFFAOYSA-N 363.461 3.899 0 40 FHAB O=C(CCn1cncn1)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2 72053483 WZSXUKXVHQEELK-UHFFFAOYSA-N 365.481 3.688 0 40 FHAB COc1ccc2c(c1)CCN2C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 83970042 XVNYPMRVYVBLQU-WOJBJXKFSA-N 370.424 3.827 0 40 FHAB C[C@@H](NC(=O)CSc1nc(-c2ccccc2)n[nH]1)c1ccc(F)cc1 8535196 QBBOVMPCBOMJHQ-GFCCVEGCSA-N 356.426 3.580 0 40 FHAB COc1ccccc1CNC(=O)c1ccc(Cn2cc(Cl)cn2)cc1 27969730 FHLYFVGCAYJXSZ-UHFFFAOYSA-N 355.825 3.523 0 40 FHAB COc1ccc(C(C)=O)cc1CSCCCn1c(=O)[nH]c2ccccc21 9882390 HZEFSJLZWPSQNP-UHFFFAOYSA-N 370.474 3.864 0 40 FHAB Cc1cc2c(cc1C)O[C@H](C(=O)N[C@H](C)Cc1nc3ccccc3s1)C2 84129013 OGUWHQLWKMLKHC-KDOFPFPSSA-N 366.486 3.964 0 40 FHAB O=C1C[C@@H](c2nc(C34CC5CC(CC(C5)C3)C4)no2)CN1C1CCCC1 8986292 QZWOTQHZNLGSIX-HIHZZFLASA-N 355.482 3.796 0 40 FHAB CCC(CC)C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 72274704 BEQFJNARWNQTLX-UHFFFAOYSA-N 357.281 3.714 0 40 FHAB CCN(CC(=O)NC(=O)Nc1ccc(C)c(C)c1)[C@@H](C)c1cccc(O)c1 72308223 WESAYBPUUGMLGJ-INIZCTEOSA-N 369.465 3.740 0 40 FHAB Cc1ccc([C@H](CNC(=O)Cc2ccc(C)c(O)c2)N2CCCC2)cc1 89438536 KWKHIINWCIXCEX-FQEVSTJZSA-N 352.478 3.505 0 40 FHAB COc1ccccc1[C@@H](CNC(=O)c1oc2ccc(F)cc2c1C)N(C)C 28232075 ITETXHYKMPOYMC-QGZVFWFLSA-N 370.424 3.922 0 40 FHAB COCCn1c(C)cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c1C 408960180 DCGDVUPZAZOXJA-SFQUDFHCSA-N 356.447 3.992 0 40 FHAB COc1ccc(-c2nc(C)cc(SCC(=O)Nc3nccs3)n2)cc1 67257782 WTHQAXIINALKOW-UHFFFAOYSA-N 372.475 3.648 0 40 FHAB CC(C)c1nc(C(=O)N2CCn3cccc3[C@H]2C)nn1-c1cccc(F)c1 172105924 QNBAXQQLRAYJIS-CQSZACIVSA-N 367.428 3.548 0 40 FHAB COc1cccc([C@@H](c2sc3ncnn3c2O)N2C[C@@H](C)C[C@H](C)C2)c1 34118510 UMFZSOKLQBKPFH-XEZPLFJOSA-N 372.494 3.572 0 40 FHAB Cc1ccccc1[C@@H]1CN(CCOc2cccc(C(=O)O)c2)[C@H](C)CO1 517381489 KXVCJIBBGJOWPY-UZLBHIALSA-N 355.434 3.534 0 40 FHAB O=C1CSc2ccc(C(=O)N(Cc3ccco3)Cc3ccco3)cc2N1 30471887 QTWOXIVHOUQUJT-UHFFFAOYSA-N 368.414 3.759 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)cc1 35314636 ZJXRIFJEQMZJCM-GOSISDBHSA-N 351.406 3.524 0 40 FHAB O=S(=O)(NCC(c1ccco1)c1ccco1)c1ccc(F)c(Cl)c1 670963976 BKDYEQXPNNPOKP-UHFFFAOYSA-N 369.801 3.776 0 40 FHAB CC[C@H](Oc1ccccc1C)C(=O)NCc1nc(-c2ccccc2)no1 219314807 WXOMINVHNNJVNX-INIZCTEOSA-N 351.406 3.519 0 40 FHAB Cc1ccc(Oc2ccccc2NC(=O)C(=O)c2c(C)nn(C)c2C)cc1 32797098 RVFUVLCWRPHTBY-UHFFFAOYSA-N 363.417 3.959 0 40 FHAB CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2F)SC1=S 35648675 VDKVCYDUJVQFKY-FFVMJPMASA-N 353.440 3.526 0 40 FHAB Cc1ccc(C(=O)Nc2ccc(I)cc2C)cc1N 37029229 RGICNLGTIBLCNK-UHFFFAOYSA-N 366.202 3.743 0 40 FHAB O=C(COc1cccc2ccccc12)N1CCCN2c3ccccc3C[C@H]2C1 565395779 VFLDJBMRDGCIRW-FQEVSTJZSA-N 372.468 3.882 0 40 FHAB O=C(CSc1nc2cccnc2n1-c1ccc(F)cc1)N1CCCCC1 35289336 UTKNXRUGVFUDSI-UHFFFAOYSA-N 370.453 3.664 0 40 FHAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)[nH]1 223878546 UQGYSGTZRMDCBB-ZWKOTPCHSA-N 350.447 3.601 0 40 FHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1cccc(Cl)c1 222765877 NSZRAELLVIVLBV-CYBMUJFWSA-N 360.841 3.886 0 40 FHAB COc1ccc2oc(=O)c(C(=O)N[C@@H](C)c3ccc(Cl)cc3)cc2c1 226038607 HFSXGMXKSVAQLG-NSHDSACASA-N 357.793 3.946 0 40 FHAB CCC(=O)N(Cc1cccc(OC)c1)[C@H](CC)C(=O)NC1CCCCC1 225324161 BDVBXLLLSWXNAO-LJQANCHMSA-N 360.498 3.661 0 40 FHAB CCOC(=O)c1cc(NC(=O)C2(OCC)CCCCC2)ccc1OCC 225829684 VZAPGBIXDPRMBM-UHFFFAOYSA-N 363.454 3.940 0 40 FHAB COc1ccc(-c2nnsc2C(=O)N(C)Cc2ccccc2F)cc1 225886397 UYYGBVRUSNXBFI-UHFFFAOYSA-N 357.410 3.625 0 40 FHAB COC(=O)c1cccc(NC(=S)NCCCc2ccc(OC)cc2)c1C 225556764 JZMYOEYMXRDSST-UHFFFAOYSA-N 372.490 3.709 0 40 FHAB Fc1cccc(CN2CCC3(CC2)C[C@H](OCc2cccnc2)CO3)c1 96106766 XQLMRKQQIRXMPR-FQEVSTJZSA-N 356.441 3.561 0 40 FHAB CC1(C)CC(=O)Nc2ccc(NC(=O)/C=C/c3ccc4c(c3)OCO4)cc21 96182992 VUMCGKJKXMJLJT-XBXARRHUSA-N 364.401 3.687 0 40 FHAB CCOCC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257294041 QSEPQYZCNTUHKD-OAHLLOKOSA-N 362.857 3.661 0 40 FHAB Cc1cccnc1CN1CCC[C@@H](c2ccnc(Nc3ncccn3)c2)C1 257265934 MAXUFVNIZUUSHA-GOSISDBHSA-N 360.465 3.698 0 40 FHAB Cc1noc(C)c1-c1ccc([C@H]2CCCN(C(=O)c3cscn3)C2)nc1 257208430 BMCXAAUPJGSYCD-HNNXBMFYSA-N 368.462 3.830 0 40 FHAB CN(C)Cc1cccc(-c2cccnc2C(=O)NCc2cccs2)c1 257222935 DVFFZBBGPDWEKR-UHFFFAOYSA-N 351.475 3.802 0 40 FHAB Cc1ccc([C@H](C)CNC(=O)N[C@H]2CCO[C@@H](c3ccncc3)C2)cc1 653147667 CPXBFQSZGYMMLN-LSTHTHJFSA-N 353.466 3.713 0 40 FHAB O=C(c1cc(Cl)c[nH]1)N1CCC(Nc2ccnc(C(F)(F)F)c2)CC1 672330792 FAUFQHRHTLRZCT-UHFFFAOYSA-N 372.778 3.799 0 40 FHAB Cc1ccc(C(C)C)c(OCC(=O)NC[C@@H](O)c2ccc(F)cc2F)c1 78355119 UOVABSJUUNDIPX-GOSISDBHSA-N 363.404 3.625 0 40 FHAB NCc1ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)c(Br)c1 98211091 PNFUEKLDBBYYTI-QMMMGPOBSA-N 368.071 3.711 0 40 FHAB O=C(NCC1CCN(CC(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1 189287693 RJRFXZDCWZYHFF-UHFFFAOYSA-N 368.321 3.710 0 40 FHAB Cc1ccsc1CN1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 1615121871 OYYPJLXQZJYVGN-UHFFFAOYSA-N 374.481 3.594 0 40 FHAB O=C(CCC[C@H](O)c1ccc(F)cc1)N1C(=O)CC[C@H]1c1ccccc1 213910614 UYCXTKYCCPHMEA-OALUTQOASA-N 355.409 3.920 0 40 FHAB O=C(O)c1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1 5571643 QYABMELKEAARKM-UHFFFAOYSA-N 369.229 3.818 0 40 FHAB Brc1cccc(C2=Nn3c(nnc3-c3ccco3)SC2)c1 5071831 DBTOEHKYNXRWRE-UHFFFAOYSA-N 361.224 3.659 0 40 FHAB O=c1/c(=C\c2ccc(-c3ccccc3)o2)sc2nc(-c3ccccc3)nn12 11666707 JUAFSDYFRCHUPY-QGOAFFKASA-N 371.421 3.626 0 40 FHAB COc1cccc(CNc2ncc(-c3cc(C)no3)c([C@H]3CCCO3)n2)c1 12142263 MYADRKDRSQFTBE-QGZVFWFLSA-N 366.421 3.912 0 40 FHAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(OC)cc2)c(C)c1 13669035 XMHBKWVEDDQRGT-IBGZPJMESA-N 371.433 3.976 0 40 FHAB CCOC(=O)[C@H](C)NC(=S)c1nc2ccccc2nc1-c1ccccc1 16682173 NIRLQGXURRRCLP-ZDUSSCGKSA-N 365.458 3.514 0 40 FHAB O=C1[C@H]2Nc3ccccc3S[C@H]2C(=O)N1c1ccccc1C(F)(F)F 18157570 YBQRTYUDGSJFHG-UONOGXRCSA-N 364.348 3.534 0 40 FHAB Cc1ccc([C@H](NC(=O)CCN2CCCC[C@H]2C)c2cccnc2)cc1 19136634 DSPBPKLMHZTKCQ-GCJKJVERSA-N 351.494 3.860 0 40 FHAB O=C(N1C[C@@H]2CCCN2c2ncccc21)C1(c2ccc(Cl)cc2)CC1 19346552 MEMZRHOGGGYNDU-INIZCTEOSA-N 353.853 3.782 0 40 FHAB CCC(=O)N1CCN(CC)C(=O)[C@@H](Cc2ccccc2-c2cccs2)C1 19498940 BRHNTSCZYGIXAP-KRWDZBQOSA-N 370.518 3.675 0 40 FHAB COCc1ccc(C(=O)N2CCC[C@@H](c3cc(N(C)C)cc(C)n3)C2)cc1 19570246 GXTBOFHPKCHFNH-LJQANCHMSA-N 367.493 3.622 0 40 FHAB CC[C@H](CN1CCOCC1)n1cncc1-c1cnn(C2CCCCC2)c1 19654565 XPRSNXVLEHABDQ-GOSISDBHSA-N 357.502 3.535 0 40 FHAB CN(CCNC(=O)C1(c2ccc(Cl)cc2)CCOCC1)c1ccccc1 19654871 LCGQFBPKULONMY-UHFFFAOYSA-N 372.896 3.641 0 40 FHAB COC(=O)CCCCCc1cc(OC)c(/C=C(\C)[N+](=O)[O-])cc1OC 13410238 NXRHNVJKUHSPDZ-JLHYYAGUSA-N 351.399 3.617 0 40 FHAB CC(C)(C(=O)NCCNc1ccc(C(F)(F)F)cn1)c1ccccc1 36398349 GFCKLADELMUMAH-UHFFFAOYSA-N 351.372 3.606 0 40 FHAB Cc1cc(NC(=O)CSc2nc3ccccc3[nH]2)n(-c2ccccc2)n1 1035725 XTZXXXUJZUGZFJ-UHFFFAOYSA-N 363.446 3.788 0 40 FHAB CC(=O)NCCC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 2639476 HUFMMVNCUBTCPQ-UHFFFAOYSA-N 358.250 3.582 0 40 FHAB O=c1c2ccc(F)cc2ncn1CC1CCN(CC2CCCCC2)CC1 1888876403 BFMUIVXTXFISIN-UHFFFAOYSA-N 357.473 3.828 0 40 FHAB Cc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1 16087325 UOOVXORHTINFJU-GFCCVEGCSA-N 354.269 3.797 0 40 FHAB CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1C 4062258 RYDUKEDNSDXUQL-UHFFFAOYSA-N 368.487 3.722 0 40 FHAB O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(F)c(F)c1 4033029 BODXEAQOOSHHPR-UHFFFAOYSA-N 350.328 3.927 0 40 FHAB COc1ccc(CC(=O)N2CCN=C2SCc2cccc(C)c2)cc1 4120230 AZNACLNEBSWAGM-UHFFFAOYSA-N 354.475 3.678 0 40 FHAB CCc1ccc(S(=O)(=O)c2cn(C)c3ccc(Cl)cc3c2=O)cc1 4193349 WAURFKNRBOOMFX-UHFFFAOYSA-N 361.850 3.587 0 40 FHAB Cc1cc(C)c(N2C(=O)[C@H]3[C@@H]4C(=O)C[C@@H](c5ccccc54)[C@H]3C2=O)c(C)c1 4459295 VWJPUFXKYFMOKC-FFGOWVMKSA-N 359.425 3.571 0 40 FHAB COc1cc(OC)cc(C(=O)N(C(=O)N2CCCCC2)c2ccccc2)c1 10254449 JCWOOUZNBIQSEJ-UHFFFAOYSA-N 368.433 3.957 0 40 FHAB O=C(NCc1nccnc1-c1cccnc1)Nc1ccc(C(F)(F)F)cc1 575621122 YLABIAGXLRYDNM-UHFFFAOYSA-N 373.338 3.879 0 40 FHAB CCCCOc1ccc(C(=O)NCc2ccnc(-c3cnn(C)c3)c2)cc1 575618282 KYVLYVLSZZOPNU-UHFFFAOYSA-N 364.449 3.591 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)cc1C 8715828 STLOIQBSRGDMLW-UHFFFAOYSA-N 366.442 3.847 0 40 FHAB O[C@H]1C[C@@H]2CN(CC3CCC3)C[C@@H]2C[C@@H]1n1ccnc1-c1ccccc1 2332242710 KDUJOZYYTQNNBC-WOZUAGRISA-N 351.494 3.594 0 40 FHAB CC(=O)c1ccc(NC(=O)/C(=C/c2ccccc2)NC(=O)c2ccco2)cc1 851007 RFTBJNRMPXYCGA-RGEXLXHISA-N 374.396 3.892 0 40 FHAB O=C(Nc1ccccn1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 40079969 FZANINYAYZWQOO-CQSZACIVSA-N 364.232 3.632 0 40 FHAB CC[C@@H](C(=O)Nc1cc(C)on1)N1CCC[C@H](c2nc3ccccc3o2)C1 40081907 UCSIKQXPCRUQOI-HOCLYGCPSA-N 368.437 3.721 0 40 FHAB C[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccccc1NS(C)(=O)=O 40151615 GICLSJLXWAPZPI-NSHDSACASA-N 367.858 3.594 0 40 FHAB Cc1sc(-c2ccco2)nc1C(=O)Nc1cccnc1-n1cccn1 31950943 BKOIFSHEDRLZIK-UHFFFAOYSA-N 351.391 3.545 0 40 FHAB CCn1c(S[C@H](C)C(=O)Nc2ccccc2C)nnc1-c1cccnc1 32579423 UZLQVOJJEIEGCO-CQSZACIVSA-N 367.478 3.788 0 40 FHAB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)Oc4ccccc4)c3)C(=O)[C@@H]2C1 102532174 VCZXULSCNXPJGH-MDASCCDHSA-N 363.413 3.831 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1N[C@H](C)C(=O)Nc1ccnn1C(C)C 32900808 SQJAVLQKLBCIGN-OAHLLOKOSA-N 366.469 3.706 0 40 FHAB O=C(NCc1ccc(OCc2cccnc2)cc1)c1ccc(F)cc1F 32930323 SXOLHIOWJKOASY-UHFFFAOYSA-N 354.356 3.869 0 40 FHAB CCOC(=O)c1oc2ccccc2c1COc1ccc(S(C)(=O)=O)cc1 53049687 UQZGXBSUFCVIKT-UHFFFAOYSA-N 374.414 3.592 0 40 FHAB COc1ccc(CN(C(=O)c2cc(C)nc3onc(C)c23)C2CC2)cc1 22138132 FEODPLIHSSSEGY-UHFFFAOYSA-N 351.406 3.653 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2C)cc1 891528 ZGCISIJEKWEWGY-UHFFFAOYSA-N 352.463 3.830 0 40 FHAB Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2cccc(C(=O)O)c2)C3=O)c1 827826 FHIUORUJZGRPLF-UHFFFAOYSA-N 374.352 3.560 0 40 FHAB COc1ccc(C(=O)Nc2cnc(NC(=O)c3ccccc3)cc2C)cc1 1353085 VFHLIJVLPDXNRT-UHFFFAOYSA-N 361.401 3.903 0 40 FHAB O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(Br)o1 24766408 FWMYYWUFWFOYJL-UHFFFAOYSA-N 367.590 3.529 0 40 FHAB Cc1c(C(=O)Nc2cc3c(cc2Cl)OCO3)cnn1-c1ccccc1 24865327 VSEWAMNMEZBCQV-UHFFFAOYSA-N 355.781 3.815 0 40 FHAB Cc1cnc2c(S(=O)(=O)Oc3c(F)c(F)cc(F)c3F)cccc2c1 25044940 VTVQHJXPQCYTTD-UHFFFAOYSA-N 371.311 3.867 0 40 FHAB Cc1cc(C(=O)Nc2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2C)on1 55593643 ZQGFYIFXPVEPBA-STQMWFEESA-N 355.438 3.662 0 40 FHAB Cc1cc(CN(C)C(=O)Cc2csc(-c3cccc(Cl)c3)n2)no1 25137328 DZAKUNWKIYOJKN-UHFFFAOYSA-N 361.854 3.961 0 40 FHAB CCCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccncc1 6481696 DYVYRLZJUHPJIK-UHFFFAOYSA-N 367.478 3.871 0 40 FHAB COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(N)cc2)cc1 7468326 HGQCPDWFXOUFGQ-UHFFFAOYSA-N 361.401 3.782 0 40 FHAB O=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1ccc2oc(C3CC3)nc2c1 107333417 LERAYAJLPJCJLB-AEGPPILISA-N 367.449 3.586 0 40 FHAB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NOCc1ccccc1 10319616 LBRFBHSPBRLVDW-UHFFFAOYSA-N 373.815 3.894 0 40 FHAB CSc1ccc(Cl)c(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c1 8216612 BYLHPQSSRBAARM-UHFFFAOYSA-N 373.865 3.571 0 40 FHAB O=C(NCc1ccccc1Cl)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 8264052 RJBOEKSZUCJUQG-ZDUSSCGKSA-N 363.244 3.663 0 40 FHAB CCn1nnnc1NCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 8339995 VIKZZBGAWWSCNV-UHFFFAOYSA-N 373.844 3.546 0 40 FHAB O=C(CCCn1c(=O)oc2ccccc21)N1CCC[C@@H]1c1cccs1 10025701 QUSYYNMBSKXLQW-OAHLLOKOSA-N 356.447 3.800 0 40 FHAB CC(=O)N[C@H](CC(=O)NCc1ccc(C(F)(F)F)cc1)c1cccs1 10275063 RCRZQYFNJVDCKI-CQSZACIVSA-N 370.396 3.651 0 40 FHAB CN1C(=O)c2ccc(C(=O)N(C3CC3)[C@@H]3CCCc4ccccc43)cc2C1=O 58229353 NKHRVJOIIHXWIZ-HXUWFJFHSA-N 374.440 3.595 0 40 FHAB CCCOc1ccc(-c2nsc(NC(=O)c3ccco3)n2)cc1OC 28287281 PMCKJSWJXKDDAY-UHFFFAOYSA-N 359.407 3.848 0 40 FHAB CC(=O)NC(=S)Nc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1C 20969311 DDZXUQFYRPZFGO-UHFFFAOYSA-N 367.478 3.685 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1cnn(-c2ccccc2)c1 10897784 VLPYQNSTWZKPKB-OAHLLOKOSA-N 369.852 3.952 0 40 FHAB CCO[P@@](=O)(c1ccccc1Cl)[C@@H](O)C(Cl)(Cl)Cl 2358398 IVPIKQOPYDQLAQ-LZVRBXCZSA-N 351.981 3.969 0 40 FHAB CC1CCN(c2nnc(SCC(=O)c3ccc(O)cc3)n2C2CC2)CC1 11424557 QBBFODOCKGQSQF-UHFFFAOYSA-N 372.494 3.530 0 40 FHAB Cc1csc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)n1 12516841 WICADJCCPSVCRT-UHFFFAOYSA-N 367.356 3.612 0 40 FHAB Cc1ccc2c(c1)c1c(n2C[C@@H](O)Cn2nnc3ccccc32)CCCC1 2698123 SGOHIEKKJOJWCK-MRXNPFEDSA-N 360.461 3.634 0 40 FHAB Cc1ccccc1NC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1Cl 12618408 UCUFMTYNFSBYER-UHFFFAOYSA-N 366.870 3.587 0 40 FHAB C[C@H](OC(=O)c1cccs1)C(=O)Nc1ccccc1Br 22736850 RMSBNCOGKOZMAF-VIFPVBQESA-N 354.225 3.695 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)c1cc(C2CC2)nc2onc(C)c12 12781827 BKHLAXUQAFSPPA-LLVKDONJSA-N 351.406 3.908 0 40 FHAB CCCn1c(=O)n(CCC(=O)Nc2ccc(F)cc2F)c2ccccc21 12782921 MJOCYINYXHLSEC-UHFFFAOYSA-N 359.376 3.520 0 40 FHAB O=c1onc(-c2cccs2)n1Cc1coc(-c2ccc(Cl)cc2)n1 48314089 UTFGUSVGKUJFCD-UHFFFAOYSA-N 359.794 3.922 0 40 FHAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1c1ccccc1 12819647 RZZPQDKAXZLQIV-APWZRJJASA-N 352.434 3.665 0 40 FHAB CC(C)COc1ccccc1CN1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 72313446 FWVREBZTPJUEIR-SFTDATJTSA-N 373.585 3.712 0 40 FHAB Cc1ccc(SCC(=O)OCC(=O)NCCC2=CCCCC2)c(C)c1 9213871 YDRRLLZGGQZKRF-UHFFFAOYSA-N 361.507 3.945 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1[S@@](C)=O 72310538 SVOZRIACBOSTJS-QFIPXVFZSA-N 358.246 3.992 0 40 FHAB Cc1cc(C(=O)CCC(=O)N2CCN(c3ccccc3)CC2)c(C)s1 6250656 XZNKHNXBPLBXCX-UHFFFAOYSA-N 356.491 3.677 0 40 FHAB Cc1ccccc1NC1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 65493291 UIZLRFDYGXIAMQ-UHFFFAOYSA-N 362.429 3.818 0 40 FHAB O=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1ccc(F)cc1F 5336115 FZHBBBHFRHWJIZ-UHFFFAOYSA-N 358.266 3.509 0 40 FHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccccc2)cc1 14157715 ICJKYENXMLLXDA-UHFFFAOYSA-N 355.397 3.946 0 40 FHAB O=C1CSc2ccc(C(=O)N(Cc3ccc(F)cc3)C3CC3)cc2N1 14114913 YLSCSACBFFUURV-UHFFFAOYSA-N 356.422 3.675 0 40 FHAB C[C@@H]1CCC[C@@H](NC(=O)COc2ncnc3sc4c(c23)CCCC4)[C@@H]1C 6468251 FROSNEFKFCPYPC-UMVBOHGHSA-N 373.522 3.890 0 40 FHAB CC(=O)N1[C@H](C(=O)NCc2ccc(C)cc2)CS[C@@H]1c1ccc(C)cc1 4699333 UBTWNHHBEBKBTA-PZJWPPBQSA-N 368.502 3.582 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c(F)c3)n2C)cc1 5500749 SVMLACOQRDHHEB-UHFFFAOYSA-N 374.416 3.800 0 40 FHAB COC(=O)[C@H](Oc1cc(C)cc2oc(=O)c3c(c12)CCC3)c1ccccc1 4747484 PERCLRUAKNOOLQ-HXUWFJFHSA-N 364.397 3.883 0 40 FHAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc2c(c1)OCCO2 14898235 HARVBVRXITXDDG-UHFFFAOYSA-N 350.374 3.602 0 40 FHAB C[C@H]1CCCC[C@]12NC(=O)N(Cc1csc(-c3cccs3)n1)C2=O 9366073 XBTMPIDIWIDENC-GTNSWQLSSA-N 361.492 3.872 0 40 FHAB CC(=O)N1c2ncnn2[C@H](c2ccc(F)cc2)C[C@H]1c1ccc(C)cc1 4816579 KYSWRNRVKSRDLU-OALUTQOASA-N 350.397 3.813 0 40 FHAB COc1ccc(SCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 9318570 SAGWADSISQOBSV-OAHLLOKOSA-N 367.474 3.850 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)N(c2ccccc2)C(C)C)n1C 4948002 ZQTMVLXGRDJIFS-UHFFFAOYSA-N 370.478 3.917 0 40 FHAB O=C(Nc1ccccn1)C1CCN(C(=O)c2sccc2C2CC2)CC1 67204314 ZOOJVTAHZLSWRN-UHFFFAOYSA-N 355.463 3.511 0 40 FHAB CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccc(Br)cc2)C1 67801129 UYZZAGNHGKVPQM-AWEZNQCLSA-N 355.276 3.548 0 40 FHAB CCCCC(=O)Nc1nc(-c2ccc3c(c2)NC(=O)[C@@H](C)O3)c(C)s1 19820143 JKEVMBCHSNZJJH-SNVBAGLBSA-N 359.451 3.967 0 40 FHAB C[C@H](Sc1nnc(-c2ccncc2)n1C)c1nnc(-c2ccccc2)o1 7831239 QJXISVMNLDADSA-LBPRGKRZSA-N 364.434 3.780 0 40 FHAB Cc1ccc2oc(C(=O)NC3(c4cccc(F)c4)CCOCC3)cc2n1 81367889 IJEHHGUQXYMGHU-UHFFFAOYSA-N 354.381 3.711 0 40 FHAB Cc1noc(C)c1S(=O)(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 70018691 VNDPWZLRNQHDSP-INIZCTEOSA-N 352.431 3.640 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1c2ccccc2OC[C@@H]1C 72531523 UAWRAWFRAQDDDT-HNNXBMFYSA-N 361.445 3.846 0 40 FHAB c1ccc(-n2nnnc2CN2CCC[C@H]2c2nc3ccccc3s2)cc1 9638094 MGMVOQOECVPVHN-INIZCTEOSA-N 362.462 3.609 0 40 FHAB CC(=O)Nc1ccc(C(=O)COC(=O)C2(c3ccc(F)cc3)CCC2)cc1 69740579 AXSADSUDNIRSCN-UHFFFAOYSA-N 369.392 3.632 0 40 FHAB COc1ccccc1OCCNC(=O)c1cc(Cl)nc2ccccc12 18075443 RLOUTKFFUCHITJ-UHFFFAOYSA-N 356.809 3.706 0 40 FHAB Cc1oc(-c2ccccc2)nc1C(=O)N(C)Cc1ccc2c(c1)OCO2 18155938 XSXHXLFPDRUMHY-UHFFFAOYSA-N 350.374 3.651 0 40 FHAB O=C(NC1CCC(O)CC1)N1CCC[C@@H]1Cc1cccc2ccccc12 84598371 OZBQXTHYDLNWJL-IOJLRTSASA-N 352.478 3.860 0 40 FHAB Cc1csc(=O)n1CCC(=O)OC(c1ccccc1)c1ccccc1 8882781 RQMZGMVASIBFMJ-UHFFFAOYSA-N 353.443 3.941 0 40 FHAB CC(C)N(C(=O)CNc1ccc(C(=O)NC2CC2)cc1)C1CCCCC1 75094726 CIIQRKJEKPKITP-UHFFFAOYSA-N 357.498 3.560 0 40 FHAB C[C@@H](O)CC(C)(C)CNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 76085827 OZVGISHMOVTYRC-CYBMUJFWSA-N 364.873 3.841 0 40 FHAB O=C(CSc1ccc(F)cc1)NC[C@H](c1ccsc1)n1cccn1 675008033 PGWVAAOFZMQEAY-MRXNPFEDSA-N 361.467 3.582 0 40 FHAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)c(C)c1 61240599 JTXMJBWLTYPJNY-UHFFFAOYSA-N 359.429 3.881 0 40 FHAB CCCCOc1ccc(NC(=O)Nc2ccc(CC(=O)NC)cc2)cc1 38489914 SIXHWAFDCJFZSU-UHFFFAOYSA-N 355.438 3.798 0 40 FHAB Cn1nccc1C1CCN([C@H](C(=O)O)c2ccc(Cl)cc2Cl)CC1 516479142 GBUGIBYGGLQFHM-INIZCTEOSA-N 368.264 3.732 0 40 FHAB Cc1cnc(CCN(C)C(=O)c2ccc(O[C@H]3CC3(F)F)cc2)s1 528897584 TYLFBOODTSISRK-AWEZNQCLSA-N 352.406 3.553 0 40 FHAB O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1OC(F)F 32983474 FBOHZMHBBWMRAM-UHFFFAOYSA-N 364.739 3.774 0 40 FHAB CCc1nc(-c2ccccc2NC(=O)[C@@H](C)Oc2ccccc2F)n[nH]1 535952515 BCPFCLHPHDVGRT-GFCCVEGCSA-N 354.385 3.579 0 40 FHAB O=C(c1ccccc1-n1ccnn1)N1CC2(CCCC2)c2c(F)cccc21 541303342 XNFKEBQKZJZLRZ-UHFFFAOYSA-N 362.408 3.879 0 40 FHAB O=C(Cc1csc(Cc2ccccc2)n1)Nc1ccc2c(c1)OCCO2 32913930 DKRWNQCCTFZBIT-UHFFFAOYSA-N 366.442 3.686 0 40 FHAB COc1ccc(CCCNC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 219861117 OTKLQABDNDVCTB-UHFFFAOYSA-N 366.505 3.969 0 40 FHAB O=S(=O)(Nc1ccc(F)cc1Br)c1ccc(F)c(F)c1 33652328 VXNLQHMKQPEBHY-UHFFFAOYSA-N 366.158 3.667 0 40 FHAB O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)Nc1c(F)cccc1F 70640291 TVWWZUMYHUNESB-CYBMUJFWSA-N 360.282 3.839 0 40 FHAB O=C(c1ccccc1)N1CCC[C@@H](c2cncc(-c3ccc(CO)cc3)n2)C1 72359332 UPUFSMWDVCFIML-HXUWFJFHSA-N 373.456 3.656 0 40 FHAB CCOC(=O)c1ccc(NC(=S)NCCOc2ccc(C)cc2)c(C)c1 225562845 MWSMPBBABVTWRJ-UHFFFAOYSA-N 372.490 3.846 0 40 FHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1F 225719668 CTQFQFTZBHCRGF-FQEVSTJZSA-N 370.468 3.700 0 40 FHAB CN(C)CCn1ccc(C(=O)N2CCC[C@H]2c2cccc3ccccc23)n1 569116709 MKCZPGHFPQVINV-NRFANRHFSA-N 362.477 3.575 0 40 FHAB COc1cc(C(F)(F)F)nc(NC(=S)N[C@H](C)c2ccccc2)n1 225963340 XVWBIYMLNHVSRV-SECBINFHSA-N 356.373 3.552 0 40 FHAB CCN(Cc1ccccc1)S(=O)(=O)c1cc2c(cc1OC)CCCC2 225680871 LAFGYBQMDAHPIV-UHFFFAOYSA-N 359.491 3.785 0 40 FHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCOc1cccc(OC)c1 224471568 DDUBAAXTCMPJQQ-IBGZPJMESA-N 357.450 3.665 0 40 FHAB COc1cccc(O[C@@H](C)C(=O)Nc2nnc(SCC(C)C)s2)c1 223502446 MPMJSQZJCXALFF-NSHDSACASA-N 367.496 3.701 0 40 FHAB Nc1nc(CN2CCOCc3ccccc32)nc2sc3c(c12)CCCC3 329900612 GFYPACNAMKBLRU-UHFFFAOYSA-N 366.490 3.689 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 223592876 ASEZWKLFLKIYFV-LJQANCHMSA-N 366.505 3.708 0 40 FHAB CC(C)OCCCNC(=O)c1ccc(SCc2cscn2)cc1 40050996 MBIHLLLOZGKOJM-UHFFFAOYSA-N 350.509 3.980 0 40 FHAB COc1cc(OC)cc([C@H](C(=O)O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c1 583089888 PNXLHCIGEFTYNA-GQWAEJPESA-N 373.424 3.847 0 40 FHAB c1ccc(COC[C@@H]2CC3(CCN(Cc4cccs4)CC3)CO2)nc1 96218290 FNRWBUHJLMEJSQ-SFHVURJKSA-N 358.507 3.731 0 40 FHAB O=C(NC[C@H]1C[C@H]2CC[C@H]1C2)c1cc(-c2cccnc2)c2cnccc2n1 247501510 QCCBFEPXRKFKDO-YQQAZPJKSA-N 358.445 3.858 0 40 FHAB Cc1noc(C)c1-c1cncc([C@H]2CCCN2C(=O)c2ccc(F)cc2)n1 257278676 ODEOUBVDMNXNOJ-GOSISDBHSA-N 366.396 3.865 0 40 FHAB CCCCc1cc(C(=O)N2C[C@H]3[C@@H](Oc4ccccc4F)CC[C@H]3C2)[nH]n1 257240043 HRULZBKGBBDOHH-GMBSWORKSA-N 371.456 3.821 0 40 FHAB Cc1c(C(=O)N2Cc3cncn3[C@@H](COCC3CC3)C2)oc2ccccc12 253599132 MKJGMWRQBZVEAI-QGZVFWFLSA-N 365.433 3.561 0 40 FHAB CC(C)(NCc1nnc([C@@H]2CCCOC2)o1)c1cccc(Cl)c1F 644265479 CVQPABMTDCFGJK-LLVKDONJSA-N 353.825 3.781 0 40 FHAB C[C@H](NC(=O)NC[C@H]1CCOC1(C)C)c1ccc(OC(F)(F)F)cc1 660320398 DMEXYBDQWSSBDU-WCQYABFASA-N 360.376 3.761 0 40 FHAB CS(=O)(=O)Nc1cccc(CNC2(c3c(F)cccc3F)CCC2)c1 623843039 AGUOPPMNODLGNG-UHFFFAOYSA-N 366.433 3.505 0 40 FHAB CSc1ccc([C@@H](O)CNS(=O)(=O)c2cccc3ccccc23)cc1 96103209 BRGWZOPPFIZVNQ-SFHVURJKSA-N 373.499 3.574 0 40 FHAB COc1cc2ncnc(N3CCC(C#N)(c4ccccc4)CC3)c2cc1OC 34635277 SOHPZCZMOCKXCO-UHFFFAOYSA-N 374.444 3.709 0 40 FHAB Cc1cc([C@H]2CCCN2CC(=O)N2CCC(Cc3ccccc3)CC2)on1 48287866 WNGPBWZNPXMZDA-HXUWFJFHSA-N 367.493 3.601 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(F)cc2)c(OC)c1 39983256 NLIJUNDASPGFHW-KUHUBIRLSA-N 373.424 3.974 0 40 FHAB COc1cc(NC(=O)Cc2ccc(F)cc2)ccc1N1CCCCC1=O 5441482 IBWOXOLGLVGCNH-UHFFFAOYSA-N 356.397 3.532 0 40 FHAB COc1ccc(CCNC(=S)Nc2cccc(Br)c2)cc1 16941952 VTDHDOWZBVYMFE-UHFFFAOYSA-N 365.296 3.987 0 40 FHAB CCn1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c(C)n1 17075758 AHAONZULQLSVCZ-UHFFFAOYSA-N 369.490 3.603 0 40 FHAB C[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)C(C)(C)C)CC3)cc2N1 19574984 OELQRJDSOJWCFI-BXUZGUMPSA-N 372.435 3.943 0 40 FHAB Cc1cccc(CCNC(=O)c2cccc([C@@H]3CCc4nnc(C)n4C3)c2)c1 19698193 YJJSTWCTNLMDJI-OAQYLSRUSA-N 374.488 3.597 0 40 FHAB CCc1cnc(CNC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)o1 551961215 RLEVCWHNKDUMGV-UHFFFAOYSA-N 363.845 3.927 0 40 FHAB COc1ccccc1C(=O)N1CCC[C@@H](c2nnc(CC(C)(C)C)o2)C1 23140330 GITANAQJAOBQST-CQSZACIVSA-N 357.454 3.687 0 40 FHAB CC(C)N(C)Cc1ccccc1CNC(=O)c1ccc2c(c1)OCCCO2 36396725 HFEVILSWEXZRFS-UHFFFAOYSA-N 368.477 3.618 0 40 FHAB COCCCNC(=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 10467861 ZKFXICMYTMGCKL-MRXNPFEDSA-N 357.479 3.697 0 40 FHAB CC(=O)Nc1ccc(C(=O)NCc2csc(-c3ccccc3)n2)s1 10894192 SAGABCMWQMEZLB-UHFFFAOYSA-N 357.460 3.760 0 40 FHAB COc1cc2c(cc1NC(=O)COc1cc(C)on1)oc1ccccc12 22795165 KSLSDXCVLSSUFT-UHFFFAOYSA-N 352.346 3.909 0 40 FHAB CC(=O)c1cc(CCC(=O)N2CCC(C(=O)c3ccccc3)CC2)oc1C 25912485 NLYGNVZXWGDYRY-UHFFFAOYSA-N 367.445 3.845 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cc(F)ccc1F 12981067 NPDFRLKZIDVHAE-UHFFFAOYSA-N 355.388 3.756 0 40 FHAB O=C(Nc1c(F)cccc1F)N1CCn2cccc2[C@H]1c1cccnc1 4329830 UPBLSTRCCFDTTQ-GOSISDBHSA-N 354.360 3.798 0 40 FHAB Cc1cc(C)c(NC(=O)N[C@@H]2CC(=O)N(c3cccc(F)c3)C2)c(C)c1 5194028 CXLWTJVEEYHMBS-MRXNPFEDSA-N 355.413 3.678 0 40 FHAB CCn1cc(C(=O)Nc2ccc(C)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 9661432 IHQCMXOYSBSZBP-UHFFFAOYSA-N 372.428 3.719 0 40 FHAB Cc1nc2sc([C@H](c3cccc(F)c3)N3CCC[C@H](C)C3)c(O)n2n1 23157337 MSZYVBDUAHETNH-NHYWBVRUSA-N 360.458 3.765 0 40 FHAB COc1ccc(S(=O)(=O)NCc2ccc(-c3ccsc3)o2)c(C)c1 575610595 QCCLQNXQYPSARA-UHFFFAOYSA-N 363.460 3.804 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@H]1CCOc2ccccc21 23786701 WMGADKUZEDUDBM-IBGZPJMESA-N 361.445 3.802 0 40 FHAB Cc1ccc(Cn2nc(C)c(C(=O)OCc3ncc(Cl)n3C)c2C)cc1 40023631 XBRUIWFAQQPKIG-UHFFFAOYSA-N 372.856 3.601 0 40 FHAB O=C(OC1CCCCC1)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 100623811 VWHFQKYNWMUPLL-STEAMIEHSA-N 367.445 3.712 0 40 FHAB CCCc1noc(CCC(=O)Nc2ccc3[nH]c(C(C)(C)C)nc3c2)n1 32466133 QLGDBVQVEMGILP-UHFFFAOYSA-N 355.442 3.767 0 40 FHAB Cc1noc(C)c1CCC(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 32505681 WMZVKCYUMSUBEY-UHFFFAOYSA-N 370.449 3.924 0 40 FHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(C(C)=O)s2)c1 21204845 ONMPCVFQCQGQIF-OAHLLOKOSA-N 359.447 3.945 0 40 FHAB NC(=O)c1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1 32738267 LOFKWIJSAPKRAP-UHFFFAOYSA-N 356.472 3.751 0 40 FHAB S=c1[nH]nc(Cc2csc(-c3ccccc3)n2)n1C[C@H]1CCCO1 32935007 BJIXANDGDCURKC-CQSZACIVSA-N 358.492 3.834 0 40 FHAB COc1ccc(-c2csc(C3=C(O)CN(C[C@@H]4CCCO4)C3=N)n2)cc1 102722787 WERUGOXAQOFJSP-AWEZNQCLSA-N 371.462 3.560 0 40 FHAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cccc(Oc2cnccn2)c1 33136285 FVQTXRIBPMYXEH-FNORWQNLSA-N 361.357 3.650 0 40 FHAB O=C(NCCc1ccc2c(c1)OCO2)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 103976524 IHSVDRKPMAVOFM-SNEKZUEESA-N 361.869 3.652 0 40 FHAB O=C(Nc1ccccc1)C1CCN(C(=O)CNc2ccccc2Cl)CC1 53834945 LSFBSWOGBRWOSW-UHFFFAOYSA-N 371.868 3.629 0 40 FHAB C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CC=C(c2ccccc2)CC1 42292746 KPFLRXURBWIWON-DYESRHJHSA-N 362.473 3.804 0 40 FHAB COc1cc(OC)c(N[C@H](C)C(=O)Nc2ccnn2C(C)C)cc1Cl 23417546 HAGITTLAUCYAOX-LLVKDONJSA-N 366.849 3.574 0 40 FHAB O=C(c1ccc(F)cc1F)N1CCN(Cc2nc3ccccc3s2)CC1 24529267 VINKMPFZSUBWON-UHFFFAOYSA-N 373.428 3.533 0 40 FHAB C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)N[C@@H]2CCOc3ccccc32)C1 43165591 KVVFCTWEPDRTQE-ZHALLVOQSA-N 359.514 3.568 0 40 FHAB O=C(c1ccc2ncccc2c1)N1CCc2c(cnn2-c2ccccc2)C1 77976416 BAXASXLFOGECND-UHFFFAOYSA-N 354.413 3.619 0 40 FHAB Cc1ccc(C(=O)N(CC(=O)NC2CCCC2)c2cccc(F)c2)s1 1330226 HSAQIQCFJNNUCL-UHFFFAOYSA-N 360.454 3.901 0 40 FHAB Cc1ccc(-c2csc(N3CCN(C(=S)NCC(C)C)CC3)n2)cc1 1349710 VILXRSRNRSYOME-UHFFFAOYSA-N 374.579 3.771 0 40 FHAB Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NCCC2=CCCCC2)cc1 1359162 CTORSSJQZNSUNI-LJQANCHMSA-N 355.482 3.998 0 40 FHAB Cc1ccc(NC(=O)COC(=O)c2[nH]c(C)c(C(=O)C(C)C)c2C)cc1C 3353943 HHILYPAVOUYADY-UHFFFAOYSA-N 370.449 3.883 0 40 FHAB Cc1cc(C)cc(NC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1 4354942 OQGIAHZWLGZLDM-UHFFFAOYSA-N 369.440 3.869 0 40 FHAB Cc1nnc(SCC(=O)N(C(C)C)C(C)C)n1-c1ccc(Cl)cc1 6969497 ICUIYSQHCDGWPN-UHFFFAOYSA-N 366.918 3.967 0 40 FHAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(F)c(F)c1 7525253 CWYPSAXTPDBINR-UHFFFAOYSA-N 362.420 3.626 0 40 FHAB CSc1nc(N2CCCCC2)c2cc(C(=O)N3CCCC3)sc2n1 7604211 LIRFIECISAZKPH-UHFFFAOYSA-N 362.524 3.640 0 40 FHAB O=C(NCc1ccccn1)c1cn(-c2ccccc2)nc1-c1cccs1 3175336 HJIHABQVKNHEGL-UHFFFAOYSA-N 360.442 3.926 0 40 FHAB COc1ccc(CNC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1 12554963 DEBVPMMALPNMOC-UHFFFAOYSA-N 357.410 3.613 0 40 FHAB CCn1c(CCc2ccccc2)nnc1SCC(=O)N1CCCC[C@@H]1C 8090040 WHKOYNLCVPDWII-INIZCTEOSA-N 372.538 3.576 0 40 FHAB COc1cc(C(=O)Nc2cc(CC3CCCCC3)n[nH]2)cc(OC)c1OC 58029269 NAYDCPSYTOXWGQ-UHFFFAOYSA-N 373.453 3.811 0 40 FHAB CCN(C)[C@@H](C(=O)Nc1ccc(-n2cccn2)c(F)c1)c1ccccc1 95348710 AEZVYMBJLMROHN-LJQANCHMSA-N 352.413 3.643 0 40 FHAB O=C(NC[C@H]1CCCO1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 27612997 PSZCNHSKNSRYFD-MRXNPFEDSA-N 371.308 3.501 0 40 FHAB COc1ccccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 10260885 ONHNWSIHQBHJIR-KRWDZBQOSA-N 370.840 3.993 0 40 FHAB O=C(NCc1nnc2n1CCC2)c1ccc(Oc2cccc(Cl)c2)cc1 58215021 XILHADQHHKTQFY-UHFFFAOYSA-N 368.824 3.600 0 40 FHAB COC(=O)c1sc(Cl)cc1S(=O)(=O)Nc1ccccc1Cl 44919471 CMCWFKNIOOIRDB-UHFFFAOYSA-N 366.247 3.642 0 40 FHAB CCn1cc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)cn1 27921213 ZDZFHCMDMFJQMR-UHFFFAOYSA-N 365.368 3.806 0 40 FHAB O=C(NCCc1ccc(C(F)(F)F)cc1)C1C[C@@H]2CCC[C@@H](C1)C2=O 103047708 OCVINOKWINWYPG-KBPBESRZSA-N 353.384 3.760 0 40 FHAB N=C1OC2=Nc3ccccc3C2=C1c1nnc(NC(=O)c2ccccc2)s1 36473952 AVFZZJUMYPBTIU-UHFFFAOYSA-N 373.397 3.752 0 40 FHAB COc1ccc([C@@H]2CC(=O)c3cn4c(nc3C2)nc2ccccc24)c(OC)c1 2350149 BDLNYSLPRCLGQI-ZDUSSCGKSA-N 373.412 3.812 0 40 FHAB O=C(Cn1nc(C(F)F)c2c1CCC2)Nc1ncc(Cl)cc1Cl 36614190 YHGXAOFUDCIJPP-UHFFFAOYSA-N 361.179 3.650 0 40 FHAB CC(C)c1nnc(NC(=O)CCC(=O)NC2CCCCCCC2)s1 2428671 WVVGNNLEJYCHKD-UHFFFAOYSA-N 352.504 3.609 0 40 FHAB C[C@H](NC(=O)c1ccccc1SCC(=O)N1CCCC1)c1ccccc1 26984179 YYMVOADZCASSBG-INIZCTEOSA-N 368.502 3.892 0 40 FHAB O=C(COC(=O)c1ccccc1Cl)NCc1ccc(C(F)(F)F)cc1 51356244 XZIHSNXMLHHXHW-UHFFFAOYSA-N 371.742 3.832 0 40 FHAB O=C(N[C@H]1C=CC=C(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 2583142 CAJPYTWWPGMENX-HNNXBMFYSA-N 361.397 3.865 0 40 FHAB COc1ccccc1CC(=O)c1ccccc1I 2579771 RWXFXKDORUNIIL-UHFFFAOYSA-N 352.171 3.725 0 40 FHAB CC(C)OCCCN(C[C@@H](O)c1ccccc1)C[C@H](O)c1ccccc1 3282803 KBGOHFFRCGJDDE-SZPZYZBQSA-N 357.494 3.571 0 40 FHAB O=C(Nc1c[nH]nc1[C@H]1CCCN(C(=O)CCC2CC2)C1)c1ccccc1 95998696 PNHKBYAMRCSURR-KRWDZBQOSA-N 366.465 3.558 0 40 FHAB O=C1CSc2ccccc2N1CCC(=O)N1CCC[C@H]1c1ccsc1 48236002 LWYNXAIFIJXKGU-HNNXBMFYSA-N 372.515 3.941 0 40 FHAB CC(C)c1ccc(-c2nnc(NC(=O)c3ccccc3C(=O)O)o2)cc1 20495973 MOUSWWHGUPMWTQ-UHFFFAOYSA-N 351.362 3.811 0 40 FHAB COc1ccc(N(CC(=O)c2ccc(OC)cc2F)C2=NCCS2)cc1 26506090 ZYCIQUJPBNSHNN-UHFFFAOYSA-N 374.437 3.635 0 40 FHAB O=C(Nc1ccccc1F)N1CCN(Cc2cccc3cccnc23)CC1 12820442 QZERMZWJVNFYKJ-UHFFFAOYSA-N 364.424 3.724 0 40 FHAB C[C@@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc(-n2cncn2)cc1 12998116 RUSSWLHHLGTSID-CYBMUJFWSA-N 374.366 3.706 0 40 FHAB CCCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCCC 4064622 ILBPJGKKPYOKTO-QGZVFWFLSA-N 362.495 3.612 0 40 FHAB O=C(OC1CCCCC1)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 4174397 VWHFQKYNWMUPLL-FDCRZUCXSA-N 367.445 3.712 0 40 FHAB CC(C)Cc1nnc2sc(-c3ccc(F)c(Br)c3)nn12 13722476 YOJWICPBORGGFN-UHFFFAOYSA-N 355.236 3.953 0 40 FHAB Cc1n[nH]c2c1[C@H](c1ccc(O)cc1)N(CCc1c[nH]c3ccccc13)C2=O 13736667 SAMDAEOVUTYJBN-NRFANRHFSA-N 372.428 3.693 0 40 FHAB O=c1oc2cc(OCc3nn[nH]n3)ccc2cc1-c1ccc2ccccc2c1 6140623 MANJFULHCFDPHD-UHFFFAOYSA-N 370.368 3.705 0 40 FHAB CC(C)c1ccc(-n2nnnc2SCc2nc3ccccc3[nH]2)cc1 39990664 YWXACIALIFNHBN-UHFFFAOYSA-N 350.451 3.954 0 40 FHAB CCc1ccccc1[C@@H](CC(=O)OC)N[C@H]1C(C)=C(C)C(=O)N1C(C)(C)C 13893023 BPEQGMXSCPTRIG-UYAOXDASSA-N 372.509 3.746 0 40 FHAB CCN(CCO)c1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 5270290 OKJRWCQTYVDVHO-UHFFFAOYSA-N 370.522 3.745 0 40 FHAB Cc1c(C(=O)N[C@H](C)Cn2cccn2)sc2nc(C(F)(F)F)ccc12 65552508 GZPBPQRADOUEEC-SECBINFHSA-N 368.384 3.639 0 40 FHAB C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1cc(Cl)cc2c1OCOC2 65562529 UBZDVJPXAZTFDY-YVEFUNNKSA-N 372.852 3.574 0 40 FHAB C[C@H]1C(=O)N(Cc2cc(Cl)cc3c2OCOC3)C(=O)N1c1ccccc1 14170650 XODHSZVMZJNNQD-LBPRGKRZSA-N 372.808 3.564 0 40 FHAB CCC1CCC2(CC1)NC(=O)N(CC(=O)c1ccc3c(c1)CCCC3)C2=O 14142378 KDEKMXGSMIOSQV-UHFFFAOYSA-N 368.477 3.639 0 40 FHAB CC1(C)[C@H](C(=O)Nc2ccc(Br)cc2)CC[C@@]1(C)C(=O)O 4670530 NAQKTSMBPWSBHC-LRDDRELGSA-N 354.244 3.915 0 40 FHAB O=C([C@H](Oc1cc(Cl)cc(Cl)c1)c1ccccc1)N1CCOCC1 5506388 WGJCGZMDGXGGTN-QGZVFWFLSA-N 366.244 3.972 0 40 FHAB O=C(OCc1nc(-c2ccccc2)no1)c1ccccc1Br 5691824 ORLSMHDNVYXRKS-UHFFFAOYSA-N 359.179 3.856 0 40 FHAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccccc2C(F)(F)F)[C@@H]1C 5676879 OGPVIWQXMCNQCZ-JMSVASOKSA-N 357.372 3.803 0 40 FHAB COc1ccc(Br)c(C(=O)N[C@@H](C)CCc2ccco2)c1 9451674 BFFSHDBUEAPCIH-NSHDSACASA-N 352.228 3.802 0 40 FHAB CCC[C@H](C)c1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)s1 4998701 RYFWLPPKYWUVHB-UONOGXRCSA-N 372.494 3.742 0 40 FHAB CC1=CC[C@@H]2C(=O)N(c3cccc(OC(=O)c4cccs4)c3)C(=O)[C@H]2C1 5915393 DZPOPIBGIOUHAJ-HOTGVXAUSA-N 367.426 3.813 0 40 FHAB Cc1cccc2nc(C(=O)OCC(=O)c3ccc(Cl)cc3Cl)cn12 5983137 RZKAJYVAVXQDTL-UHFFFAOYSA-N 363.200 3.989 0 40 FHAB COc1ccc(Cc2nnc3sc(-c4cc5ccccc5[nH]4)nn23)cc1 9530824 ZXLRTUDCUYHDLP-UHFFFAOYSA-N 361.430 3.934 0 40 FHAB CC(C)(C)c1csc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)n1 7985932 RPNRBRMSWVJIPU-UHFFFAOYSA-N 374.434 3.689 0 40 FHAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(C)c(F)c1 8083345 YSOIWWOPFHGOOR-KRWDZBQOSA-N 360.454 3.624 0 40 FHAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(NC(=O)c2ccco2)cc1 8060160 VWDDMCOJFCRTHS-UHFFFAOYSA-N 364.357 3.555 0 40 FHAB COc1ccc(Cl)cc1CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 8129621 VNXLZZGOIVMURJ-HXUWFJFHSA-N 370.836 3.632 0 40 FHAB CCOC(=O)N[C@@H](CC(=O)Nc1nc2c(s1)CCCC2)c1ccccc1 408977971 GLACKRCVLSLVLU-HNNXBMFYSA-N 373.478 3.838 0 40 FHAB COc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccccc3)C1=O)OCO2 409051350 LBBOESCDCJHCPN-IUXPMGMMSA-N 369.398 3.660 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1[S@](C)=O 72310537 SVOZRIACBOSTJS-JOCHJYFZSA-N 358.246 3.992 0 40 FHAB O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1ccc2c(n1)CCCC2 89793843 AIUMATQRCDIWKZ-UHFFFAOYSA-N 365.408 3.727 0 40 FHAB Cc1cccc(NC(=O)[C@H]2CCC(=O)N2C(=O)OCc2ccccc2)c1C 408738270 QYTZWJJFVQHUAE-GOSISDBHSA-N 366.417 3.570 0 40 FHAB COc1cc2c(cc1CNC(=O)c1ccc3c(c1)CCCC3)OCCCO2 64987228 YMROIQYASWCVPQ-UHFFFAOYSA-N 367.445 3.665 0 40 FHAB COc1cccc(C[C@]2(C(=O)N[C@@H](C)[C@H]3CCCOC3)C[C@H]3CC[C@H]2C3)c1 504891627 KKVCGVWQRKPKDE-WGLQCKHLSA-N 371.521 3.975 0 40 FHAB C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccccc4)cc3)C(=O)[C@H]12 408670150 IFPQSKVYRVLEHW-NIKGAXFTSA-N 360.413 3.641 0 40 FHAB Cc1noc(CCC(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)n1 129651592 AVAGRWHGKZPDMK-UHFFFAOYSA-N 374.416 3.607 0 40 FHAB O=C(N[C@@H]1CCCc2c1cnn2-c1ccccn1)[C@@H]1C[C@H]1c1ccccc1 71195689 RHHXNHGQVFCMPF-YQVWRLOYSA-N 358.445 3.565 0 40 FHAB Cc1c(-c2ccccc2)nc(Cl)c2c1C(=N)N=C2NC[C@H]1CCCO1 66091472 OTORFRUNAWLKMO-CYBMUJFWSA-N 354.841 3.565 0 40 FHAB COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc2[nH]cc(C=O)c12 72221374 LEPFDIFSZLPNTL-JKSUJKDBSA-N 362.385 3.509 0 40 FHAB COc1ccc(CCCNC(=O)c2cc3cccc(OC)c3o2)cc1OC 122338327 BNZYEOFHBXHFAU-UHFFFAOYSA-N 369.417 3.821 0 40 FHAB CCOC(=O)N1CCC(NC(=O)c2ccc(-c3ccccc3)cc2F)CC1 32930036 BGMYGWXCCFTZJP-UHFFFAOYSA-N 370.424 3.843 0 40 FHAB CN(C)[C@H](CNC(=O)c1ccc(Cl)s1)c1cn(C)c2ccccc12 75149180 FKOUPLXUYHTENY-OAHLLOKOSA-N 361.898 3.926 0 40 FHAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1cc(OC)ccc1OC 225372667 TWEXFRMRXBMJBT-PBHICJAKSA-N 373.449 3.747 0 40 FHAB COc1cc(C)c([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OC 222565076 CBYGHSMHRGHXNH-FASAQXTFSA-N 369.490 3.997 0 40 FHAB Cc1cc(N2C[C@@H](C)C[C@H](C)C2)nc(NC(=S)NC2CCCCC2)n1 226009136 QUAYGLFUYSGHSS-KBPBESRZSA-N 361.559 3.886 0 40 FHAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 225576106 DNUBFGGHFISAQK-KRWDZBQOSA-N 370.468 3.700 0 40 FHAB COc1ccc(COc2ccc(-c3csc(N)n3)cc2C(=O)O)cc1 85397534 WLBPPKYKTWFQIX-UHFFFAOYSA-N 356.403 3.678 0 40 FHAB Cc1nnc(NC(=O)CCSc2ncnc3sc(C)c(C)c23)s1 49549976 JRVYINYLXAKLTM-UHFFFAOYSA-N 365.509 3.589 0 40 FHAB O=C1CCCN1Cc1ccc(CNC(=S)Nc2ccccc2Cl)cc1 225648098 DDWMCNORDZCMAP-UHFFFAOYSA-N 373.909 3.949 0 40 FHAB CCOC(=O)c1cc(N(C)S(=O)(=O)c2ccc(C)cc2)ccc1Cl 224697781 WBJTUJPGVVBHOX-UHFFFAOYSA-N 367.854 3.650 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 223666076 AYNSYJFRQGALKX-LJQANCHMSA-N 366.505 3.789 0 40 FHAB O=C(Cc1ccccc1Cl)NCCN1CCC(c2cccs2)CC1 77103980 UNWSPESABHBSMJ-UHFFFAOYSA-N 362.926 3.940 0 40 FHAB Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)NCc2cccnc2)n1 225204526 MDYQXRVTVGGVBE-UHFFFAOYSA-N 368.441 3.549 0 40 FHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCOc1cc(C)cc(C)c1 224081502 FCHFMQLHFJVXQU-HXUWFJFHSA-N 357.450 3.665 0 40 FHAB O=C(c1cccnc1)N1CCC2(CC1)C[C@@H](N1CCCC1)c1ccccc12 96079207 KPPIOPSFDVMUGQ-OAQYLSRUSA-N 361.489 3.796 0 40 FHAB O=S(=O)(O)c1ccc2c(Br)cc(Br)cc2c1 98175559 UJFVZGVCYIEHHS-UHFFFAOYSA-N 366.030 3.612 0 40 FHAB Cc1cc(N2CCC(CNC(=O)c3ccc(F)cc3Cl)CC2)ccn1 253398143 GPAKRLBXHCTRBB-UHFFFAOYSA-N 361.848 3.829 0 40 FHAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N1CCc2cc(F)ccc21 639502573 AJHGXMYYVWWIKI-UHFFFAOYSA-N 367.424 3.965 0 40 FHAB COc1cccc(-c2nn3c(CSC(C)C)nnc3s2)c1OC 1776111085 VWLQDLIOBINAIT-UHFFFAOYSA-N 350.469 3.512 0 40 FHAB O=C(NCCc1csc(-n2cccn2)n1)C1(c2cccs2)CCCC1 90703546 VTDXGKJOFSPZPV-UHFFFAOYSA-N 372.519 3.561 0 40 FHAB CC[C@H](C(=O)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1)c1ccccc1 390830456 LFWKHOSQDWTHMD-VQTJNVASSA-N 371.502 3.569 0 40 FHAB CCc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccccc3OC)NC(=O)CN21 2160284 TWGLQMXQKXSJFL-MDRMPYQZSA-N 362.473 3.895 0 40 FHAB biogenic COc1cccc(-n2c(-c3ccccc3)cnc2S[C@@H](C)C(N)=O)c1 5174919 KAWUAQOMYARGBV-ZDUSSCGKSA-N 353.447 3.514 0 40 FHAB O=C1O[C@@H]2CC(c3ccccc3)=NN(c3ccccc3)C2=C1Br 5515893 CAIVJXFUWICZBC-OAHLLOKOSA-N 369.218 3.833 0 40 FHAB C[C@@H]1CN(C(=S)Nc2ccccc2)CCN1C(=S)Nc1ccccc1 5763711 KZNKXCFICQBKTP-OAHLLOKOSA-N 370.547 3.787 0 40 FHAB O=C(N1CCCC1)C1(Cc2ccccc2-c2cccnc2)CCOCC1 12337846 CYVGRBXRXIVKQZ-UHFFFAOYSA-N 350.462 3.710 0 40 FHAB Cc1oc(-c2ccccc2)nc1C(=O)NCc1ccc(Cn2cccn2)cc1 12625929 ZPNOTSZIPASUGU-UHFFFAOYSA-N 372.428 3.825 0 40 FHAB Cc1ncc(-c2ccncc2)c(-c2ccc(CNC(=O)[C@H]3C[C@H]3C)cc2)n1 13228127 MGZIKKKLFTZCRI-KUHUBIRLSA-N 358.445 3.786 0 40 FHAB O=C(NCCCN1CCc2ccccc21)c1ccccc1Br 13670678 HYYYMWLLVOXJIU-UHFFFAOYSA-N 359.267 3.632 0 40 FHAB O=C(NCCSCc1ccccc1F)c1cccc(N2CCCC2=O)c1 18088370 MXPCQXHJLOCEHT-UHFFFAOYSA-N 372.465 3.616 0 40 FHAB C[C@]12C[C@@H](Cc3ccccc3)N[C@H]1CCCCCN2C(=O)c1ccccn1 19713444 YXUHZKZMNUMHNZ-NWSQWKLXSA-N 363.505 3.830 0 40 FHAB COc1ccc(/C=C/C(=O)NCCOc2ccc(C)cc2C)cc1OC 8389211 AYTCVSVAXXDQCE-JXMROGBWSA-N 355.434 3.529 0 40 FHAB CCn1cc(C(=O)Nc2ccc(OC(F)F)cc2)c(=O)c2ccc(C)nc21 3309682 LCRDSHKKCIQXBA-UHFFFAOYSA-N 373.359 3.579 0 40 FHAB CSc1cccc(NS(=O)(=O)c2cccc(Br)c2)c1 5126380 PBMQLMBCKYXCAM-UHFFFAOYSA-N 358.282 3.972 0 40 FHAB C[C@@H](NC(=O)COc1ccc2ccc(=O)oc2c1)c1ccccc1Cl 5222646 FIONNHKFBCUSAW-GFCCVEGCSA-N 357.793 3.703 0 40 FHAB C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)N1c2ccccc2C[C@H]1C 6035419 GYNVQZSFBBAOHH-NEPJUHHUSA-N 370.503 3.992 0 40 FHAB COc1ccc(NC(C)=O)cc1N=c1cc(C2CCC2)nc(C2CC2)[nH]1 1888890606 GXRCEAKQOKUXCB-UHFFFAOYSA-N 352.438 3.754 0 40 FHAB CCN(Cc1ccc(Br)s1)S(=O)(=O)c1cccs1 21188661 RZOFLVRCNRZTTB-UHFFFAOYSA-N 366.327 3.783 0 40 FHAB CO[C@]1(COc2ccccc2)CCCN(C(=O)/C=C/c2ccccc2)C1 2037916112 OPNSDPYDSBPBLU-DGXIYAMASA-N 351.446 3.786 0 40 FHAB COc1cccc(-c2nnc(NC(=O)c3ccc(OC(C)C)cc3)o2)c1 4276058 HASBZIMMSCXSLJ-UHFFFAOYSA-N 353.378 3.785 0 40 FHAB CS(=O)(=O)c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl 4304821 LTXPDHYZMJPJOG-UHFFFAOYSA-N 355.246 3.795 0 40 FHAB O=C(NCCSc1ncc(-c2ccc(F)cc2)[nH]1)c1ccc(F)cc1 4315683 DQDYTTHWKFLFEP-UHFFFAOYSA-N 359.401 3.877 0 40 FHAB COc1cc(/C=C2\SC(=N)NC2=O)ccc1OCc1ccc(C)cc1 4482007 GJDHUSWKPRDTSM-YVLHZVERSA-N 354.431 3.721 0 40 FHAB CCCCNC(=O)Cc1csc2nc(-c3ccc(OCC)cc3)cn12 5146910 UGKKMBLNTHRNSF-UHFFFAOYSA-N 357.479 3.920 0 40 FHAB NC(=O)c1c(NC(=O)CSc2ccccc2)sc2c1CCCCC2 5192117 HGGCBAWBXHPOLZ-UHFFFAOYSA-N 360.504 3.847 0 40 FHAB O=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)c1ccc(F)c(F)c1 5373823 BHSVYGRRIHNQSP-UHFFFAOYSA-N 356.372 3.906 0 40 FHAB O=C(Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1)NC1CC1 13715827 AQTFJTVOCVASNY-UHFFFAOYSA-N 362.351 3.779 0 40 FHAB COc1ccccc1CCNC(=O)c1csc(Nc2ccccc2)n1 35596728 SAYWBHXGGHLQQC-UHFFFAOYSA-N 353.447 3.868 0 40 FHAB O=C(CSc1nc2ccccc2s1)N1CCn2c1nc1ccccc12 36709806 HUACRKBMVIUIAS-UHFFFAOYSA-N 366.471 3.785 0 40 FHAB CCOc1cccc(CNC(=O)c2sc(-n3cccc3)nc2CC)c1 49006248 FVMSVAJFYIFPFF-UHFFFAOYSA-N 355.463 3.825 0 40 FHAB c1nc(Nc2cnn(C[C@@H]3CCCO3)c2)c2c3c(sc2n1)CCCC3 40139284 GFAQXCOTTOMKAL-ZDUSSCGKSA-N 355.467 3.689 0 40 FHAB Cc1ccc(CN(C)C(=O)Cc2csc(Cc3ccccn3)n2)cc1 40129631 BMUGUEPMCMFKMY-UHFFFAOYSA-N 351.475 3.638 0 40 FHAB COc1ccccc1NC(=O)[C@@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 20725335 WKMCXCGMVQMEIK-INIZCTEOSA-N 362.389 3.730 0 40 FHAB Cc1nccc(-c2cccc(NS(=O)(=O)c3ccc(Cl)s3)c2)n1 32592387 XHAWODNPKZPXCZ-UHFFFAOYSA-N 365.867 3.968 0 40 FHAB FC(F)(F)c1ccc2c(c1)N(Cc1nnnn1-c1ccccc1)CCC2 32868855 OTEAGJPCZGGPIT-UHFFFAOYSA-N 359.355 3.634 0 40 FHAB COc1ccc(OC)c(CNC(=O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1 32909909 SPEVKMSWWCANLF-XFQXTVEOSA-N 363.498 3.797 0 40 FHAB Cc1cc(C)cc(NC(=O)[C@@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)c1 33028047 UCYYLQDSIMAEQS-NOCBQHASSA-N 354.494 3.963 0 40 FHAB O=C(Cc1ccc2ccccc2c1)NCCc1cc(F)cc2c1OCOC2 41669226 BWZYRVCHDAHTQM-UHFFFAOYSA-N 365.404 3.747 0 40 FHAB CCCOc1ccc(C(=O)NC[C@H](c2ccccc2OC)N(C)C)cc1 23713836 WGFGINIEBVKZSZ-LJQANCHMSA-N 356.466 3.517 0 40 FHAB biogenic CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)n1C 779312 MKLUZPZUOHJCJK-UHFFFAOYSA-N 356.451 3.677 0 40 FHAB CN(C(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)C1CCCCC1 868294 RMLICLCTROCMLG-CYVLTUHYSA-N 352.434 3.842 0 40 FHAB COc1ccc(OC)c(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)c1 929406 HWPSCRDNEWFNFF-UHFFFAOYSA-N 374.393 3.868 0 40 FHAB Cc1cc(C)c(C(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(C)c1 2635113 UXIMBGLQZQLKIK-FPTDNZKUSA-N 370.493 3.931 0 40 FHAB C[C@H]1CC(=O)N(CC(=O)NCc2ccccc2Cl)c2ccccc2S1 4162753 NFMVYIHOPRUEOD-ZDUSSCGKSA-N 374.893 3.874 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2nc3c(OC)ccc(OC)c3s2)c1 4330927 NAFHGIQGJXIWMY-UHFFFAOYSA-N 374.418 3.583 0 40 FHAB Cc1ccc(-c2nc(CCNS(=O)(=O)c3cccs3)cs2)cc1 4570673 SORWSOCUCAQUDL-UHFFFAOYSA-N 364.517 3.701 0 40 FHAB CCCOc1ccc(NC(=O)C[C@H](C)CC(=O)NCc2ccccn2)cc1 4676068 ZGFKFVPLAKBCFG-MRXNPFEDSA-N 369.465 3.542 0 40 FHAB O=C(CSc1nc(-c2ccccc2)n[nH]1)NC1C2CC3CC(C2)CC1C3 4999214 MPZUCZSOJYURDF-UHFFFAOYSA-N 368.506 3.505 0 40 FHAB Cc1cc(C)cc(NC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)c1 5268998 CHHXPOFKLNGDEL-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB COc1ccc(C)cc1NC(=O)c1cccn(Cc2cccc(C)c2)c1=O 5269743 KGBHMCUDUYLSGE-UHFFFAOYSA-N 362.429 3.774 0 40 FHAB Cc1cc(C(=O)COC(=O)Cc2cccs2)c(C)n1Cc1ccco1 5270333 IRWIYVBUIUZZFK-UHFFFAOYSA-N 357.431 3.776 0 40 FHAB COc1cccc(C(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)c1OC 5441745 WHJZLBRIWDFOTE-UHFFFAOYSA-N 368.433 3.781 0 40 FHAB CCCn1c(O)c(C(=O)Nc2ccc(F)c(F)c2)c(=O)c2ccccc21 5444291 JNIGKPSXWGOHPE-UHFFFAOYSA-N 358.344 3.648 0 40 FHAB CCCCCOc1ccc(OCC(=O)N=c2[nH]c3ccccc3[nH]2)cc1 5826089 KPAFNIXEARSMCF-UHFFFAOYSA-N 353.422 3.571 0 40 FHAB CCCn1c(O)c(C(=O)NCc2ccccc2Cl)c(=O)c2ccccc21 5904448 BROGELSGBQWTED-UHFFFAOYSA-N 370.836 3.701 0 40 FHAB Cc1ccccc1NC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1 6876378 KLLYUHCSIFWXQQ-UHFFFAOYSA-N 366.373 3.534 0 40 FHAB O=C(c1cc(-c2cccs2)[nH]n1)N1CCN(c2cccc(Cl)c2)CC1 6876700 PPXHUNXFKUPGOF-UHFFFAOYSA-N 372.881 3.754 0 40 FHAB CCOc1cc(C(=S)N2CCC(C)CC2)cc(Br)c1O 6958622 TZKOBPKJTZFWGJ-UHFFFAOYSA-N 358.301 3.961 0 40 FHAB CCN1C[C@@H](CN(C)C(=O)c2cc(Cl)ccc2OC)Oc2ccccc21 7257237 SCBUSXFHWMRFAB-OAHLLOKOSA-N 374.868 3.708 0 40 FHAB Cc1ccc(-n2nc(C)c(NC(=O)CSc3ccccn3)c2C)cc1 7699204 SHMTXMFFXTWZFU-UHFFFAOYSA-N 352.463 3.923 0 40 FHAB C[C@H](NC(=O)CSc1ccc2c(c1)CCC2)c1ccc2c(c1)OCCO2 7780211 VFYLIQFBFVBRQU-AWEZNQCLSA-N 369.486 3.916 0 40 FHAB COc1cccc(C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)c1 8131917 GYLPPGVRLVWCCT-HXUWFJFHSA-N 355.434 3.984 0 40 FHAB COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1O 8163634 YAMSRDGTBQDBRB-RQZCQDPDSA-N 366.398 3.509 0 40 FHAB Cc1cc(OCC(=O)NCCn2c(C)nc3ccccc32)ccc1C(C)C 8173164 PQXQLWMKKVNTGE-UHFFFAOYSA-N 365.477 3.972 0 40 FHAB CCOc1cc(CNn2cn[nH]c2=S)ccc1OCc1ccccc1 8254665 ARGOATUKIRZIOK-UHFFFAOYSA-N 356.451 3.662 0 40 FHAB Cc1cc(C)nc(SCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)n1 8724340 AAVOZKBAGAIVKO-UHFFFAOYSA-N 371.462 3.866 0 40 FHAB COc1ccc(OCC(=O)N(Cc2c(C)noc2C)c2ccccc2)cc1 8748064 VXYATSWVSAXDNY-UHFFFAOYSA-N 366.417 3.912 0 40 FHAB Cc1ccc(CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)cc1 8887743 NOACHWMKRXPRAO-SFHVURJKSA-N 373.250 3.725 0 40 FHAB CC(C)n1cnnc1S[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl 9212740 XAWNHHCYUGNIGR-MRVPVSSYSA-N 360.270 3.680 0 40 FHAB COc1ccc(C)cc1NC(=O)CSc1nc(/C=C/c2ccco2)n[nH]1 10586357 LAROFSGYFGRHRR-SOFGYWHQSA-N 370.434 3.616 0 40 FHAB O=S(=O)(NCc1ccccc1COc1ccccc1)c1cccc(F)c1 10680875 DXUHHWLPYYBHFY-UHFFFAOYSA-N 371.433 3.883 0 40 FHAB Cc1nc(SCC(=O)N2CCc3ccccc3C2)n(CC(C)C)c1C 11305638 YGXPJCCRBVOUFP-UHFFFAOYSA-N 357.523 3.833 0 40 FHAB CCCCOc1ccc(C(C)C)cc1S(=O)(=O)n1nnc2ccccc21 11565907 ZPWZVRRFCFHDJC-UHFFFAOYSA-N 373.478 3.971 0 40 FHAB COc1cc(CN2[C@H]3CC[C@@H]2c2cnc(C)nc2C3)ccc1OC(C)C 12186512 KNBBZRNIMQATMF-QFBILLFUSA-N 353.466 3.843 0 40 FHAB O=C1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)n2c(nc3ccccc32)N1 12407286 PPRYXGCDBNVLIH-CQSZACIVSA-N 374.322 3.577 0 40 FHAB Cc1ccc(-c2cc(C(=O)Nc3cccc(N4CCCC4=O)c3)[nH]n2)cc1 12739327 MMFDROFNQCMWMF-UHFFFAOYSA-N 360.417 3.764 0 40 FHAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)c1ccccc1 12876128 VJECWCATGAVYCD-APWZRJJASA-N 354.450 3.815 0 40 FHAB C[C@H]1C[C@H](C)CN(CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C1 12982237 KWXHZNPBKPOBGQ-HOTGVXAUSA-N 352.482 3.666 0 40 FHAB CCCc1cc(=O)[nH]c(S[C@H](C(=O)N2CCCCC2)c2ccccc2)n1 13117951 YPSBDIYIYURAKL-SFHVURJKSA-N 371.506 3.568 0 40 FHAB C[C@@H](NC(=O)c1ccccc1Br)c1nc(-c2ccccc2)no1 13495448 FQOFNULEMWVPOG-LLVKDONJSA-N 372.222 3.990 0 40 FHAB Cc1ccccc1C(=O)N1CCN(c2ccc(-c3ccccc3C)nn2)CC1 13661894 XPBSLFNZMKWMQU-UHFFFAOYSA-N 372.472 3.723 0 40 FHAB CCC(CC)C(=O)N1CCN(c2ccc(-c3ccccc3C)nn2)CC1 13662047 IIOUXIOMMWFPNR-UHFFFAOYSA-N 352.482 3.537 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(OC)cc1 14401940 VIYNOSFLTLJGAJ-IBGZPJMESA-N 370.449 3.631 0 40 FHAB COC(=O)c1ccc(C)c(NC(=O)Cc2ccc(C(F)(F)F)cc2)c1 16468011 OYFURLGYNAPEHG-UHFFFAOYSA-N 351.324 3.982 0 40 FHAB O=c1c2ccc(Cl)cc2nc2sc(Nc3ccc(F)cc3F)nn12 17149741 SGNYLGNDHXEPAJ-UHFFFAOYSA-N 364.764 3.979 0 40 FHAB CCC(CC)C(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1OC 19500263 MXMDNVCSDWZFFB-SFHVURJKSA-N 355.482 3.870 0 40 FHAB Cc1cc(C)n([C@@H](c2cc(O)n3nc(-c4ccccn4)cc3n2)C(C)C)n1 19573274 YQJBUSYBDDDCBY-HXUWFJFHSA-N 362.437 3.556 0 40 FHAB CN1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)N2C(=O)c1ccccn1 19712867 DMDATSIWIZXJAX-FCEUIQTBSA-N 363.505 3.782 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)c1cc2cccc(OC)c2o1 19887892 LVPVPPBPOJNGLS-UHFFFAOYSA-N 352.390 3.834 0 40 FHAB CCN(CC)Cc1ccc(NC(=O)[C@H](C)Oc2cccc(OC)c2)cc1 20110526 NNJGDAUVVZMORF-INIZCTEOSA-N 356.466 3.943 0 40 FHAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 20492647 XVYJCDFOEPSXNH-UHFFFAOYSA-N 372.490 3.793 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1noc(-c2cccc(C)c2)n1 21806585 JBPFTIYIKVHCRG-INIZCTEOSA-N 355.369 3.980 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)NCC2(c3ccccc3)CC2)c1 22427379 YGTAVJQAPNFTKF-HNNXBMFYSA-N 354.450 3.796 0 40 FHAB CSc1nc(-c2ccco2)nc(C)c1C(=O)NCc1ccccc1F 24829194 ZEQKMDKLUXPFPD-UHFFFAOYSA-N 357.410 3.836 0 40 FHAB Cc1cc(Br)ccc1SCC(=O)NCCc1ccccn1 31483577 IDRKKNNLUGGBNJ-UHFFFAOYSA-N 365.296 3.604 0 40 FHAB CCOCCOCc1cccc(CNC(=O)c2cc(Cl)ccc2F)c1 32372975 VJHVTUPRTWUEDX-UHFFFAOYSA-N 365.832 3.962 0 40 FHAB C[C@H](c1cccs1)N(C)C(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 32463928 UYFFJSJVWYFUDW-CHWSQXEVSA-N 362.882 3.974 0 40 FHAB CNC(=O)Nc1ccc(NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)cc1 32903374 XVZCFXGJMXPKIT-UHFFFAOYSA-N 369.812 3.734 0 40 FHAB CCOc1c(Cl)cc(C(=O)Oc2ccc(NC(C)=O)cc2)cc1OC 32988066 NVBXSPXYVUGHEM-UHFFFAOYSA-N 363.797 3.925 0 40 FHAB Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 34870869 HSQKEOJSRHYZKY-XYJFISCASA-N 359.466 3.585 0 40 FHAB COc1ccc(CCNc2c(Cc3ccccc3)c(C)nc3ncnn23)cc1 35315314 GZUPIXGUCHAWIC-UHFFFAOYSA-N 373.460 3.687 0 40 FHAB Cc1nc2c(-c3ccccc3)nc(SCC(=O)N3CCCC3)nc2s1 35682643 PPIKHCRVRDYPAP-UHFFFAOYSA-N 370.503 3.776 0 40 FHAB O=C(O)CCC(=O)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 38303389 JLULDRWPVOVHHE-AROGIYSDSA-N 368.389 3.860 0 40 FHAB CC(C)(C)NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br 39289468 XXSBOLHZHXUFOK-UHFFFAOYSA-N 361.088 3.833 0 40 FHAB O=C(Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)c1ccc(=O)[nH]c1 40070353 MPYORIYXYWYFCD-UHFFFAOYSA-N 372.783 3.999 0 40 FHAB CC(C)c1ccccc1NC(=O)c1c(-n2cnnn2)sc2c1CCCC2 40266251 MJMHCGYZWPLMOU-UHFFFAOYSA-N 367.478 3.978 0 40 FHAB Cc1nc2nc3ccn(C4CCCC4)c(=O)c3c(-c3ccc(F)cc3)n2n1 40398545 NGKRUQCRVYDMSX-UHFFFAOYSA-N 363.396 3.669 0 40 FHAB CC(C)Oc1ccccc1CNC(=O)C(=O)Nc1ccccc1C(C)C 42646688 IROBWAPCMXHJIX-UHFFFAOYSA-N 354.450 3.852 0 40 FHAB Cc1cc(C)cc(NC(=S)NC2CCN(Cc3ccccn3)CC2)c1 44222119 SJKGIINTQAOKPO-UHFFFAOYSA-N 354.523 3.649 0 40 FHAB CC[C@@H](C(=O)Nc1ccc(Cl)cc1)n1ncc(-c2ccccc2)nc1=O 44803986 YRDZESJKMUKPCT-KRWDZBQOSA-N 368.824 3.549 0 40 FHAB C[C@H](OC(=O)c1ccc2ccccc2c1O)c1nc(-c2cccnc2)no1 48288663 FRMRDDQTJXEGRN-LBPRGKRZSA-N 361.357 3.908 0 40 FHAB CC(C)OCc1ccc(CNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1 48342622 DCTIWUMUYRMBKQ-LJQANCHMSA-N 359.853 3.885 0 40 FHAB Cc1ccc(-n2nnc(C(=O)N[C@@H](C)c3ccc(F)cc3)c2C)cc1C 51318258 XHYZGPUOADTGKV-AWEZNQCLSA-N 352.413 3.823 0 40 FHAB CCC(C)(C)n1nnnc1[C@H](CC(C)C)N1CCN(c2ccccc2)CC1 57669932 XCONHBBLZBHMLH-IBGZPJMESA-N 370.545 3.728 0 40 FHAB NC(=O)Cc1ccc(NC(=O)N[C@H](c2cccs2)C2CCCC2)cc1 58157438 OZISXYVNWMMWRB-SFHVURJKSA-N 357.479 3.829 0 40 FHAB FC(F)(Cl)c1nnc2sc(-c3cc(-c4cccs4)n[nH]3)nn12 61717977 FPLVFNXHNGDRLL-UHFFFAOYSA-N 358.786 3.593 0 40 FHAB CC(C)[C@H](NC(=O)/C=C/c1cccc(OCc2ccccc2)c1)C(=O)O 62714426 SUROAVLBEWIXAJ-SGWGQVFISA-N 353.418 3.504 0 40 FHAB CCc1ccccc1Nc1nc(N)nc(CSC[C@H]2CCCCO2)n1 65576364 JYAJOEBMCFSQRA-CQSZACIVSA-N 359.499 3.562 0 40 FHAB Cc1cccc(CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc23)c1 71775380 OXIHWPFZNPEPSP-UHFFFAOYSA-N 371.234 3.529 0 40 FHAB COc1cccc(-c2nc3cnccn3c2NCc2ccco2)c1OC 72341923 STNNNTHIHMAVPB-UHFFFAOYSA-N 350.378 3.619 0 40 FHAB Cc1nc([C@@]2(O)CCCNCC2)sc1CCOc1ccccc1Cl 72343626 MTNGFLBZWDVPFH-GOSISDBHSA-N 366.914 3.688 0 40 FHAB Clc1ccc(Oc2cncc([C@@H]3CCCN3Cc3ncc[nH]3)n2)cc1 72384348 NNRUEEHTQSBUNM-INIZCTEOSA-N 355.829 3.983 0 40 FHAB COc1ccc(-c2nc(C)sc2C(=O)N[C@H]2CCOC(C)(C)C2)cc1 72402358 JJJJMQOSFPSXCJ-AWEZNQCLSA-N 360.479 3.815 0 40 FHAB O=C(NCCCN1CCCCCC1=O)c1ccc(-c2ccc(F)cc2)o1 78362637 AHGXSQOTXGFFGS-UHFFFAOYSA-N 358.413 3.608 0 40 FHAB CN(C)C(=O)c1ccc(F)c(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)c1 79055257 KJRZYOOPASASGK-CABCVRRESA-N 360.816 3.923 0 40 FHAB Cc1ccc(-n2c(SCCS(C)(=O)=O)nc3ccccc32)c(C)c1 84142277 OZUXOIPSNAXKKT-UHFFFAOYSA-N 360.504 3.779 0 40 FHAB Cc1ccccc1CN(Cc1cccnc1)C(=O)c1ccc2c(c1)OCO2 84243882 XYXIOUCLADWSIF-UHFFFAOYSA-N 360.413 3.961 0 40 FHAB C[C@H](c1nc(C(C)(C)C)no1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 84667583 DVXUHWVUZVXZIP-CABCVRRESA-N 372.517 3.626 0 40 FHAB CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Oc2cc(C)[nH]n2)cc1 84739806 OIFYXGNCBXUSCC-QGZVFWFLSA-N 370.453 3.630 0 40 FHAB CCN(CC)[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2)c1ccccc1 84771163 UHKIBAGCAUJRGU-HXUWFJFHSA-N 351.450 3.593 0 40 FHAB Cc1ccc(C(=O)N2CC[C@@H](N(C(=O)c3ccc(C)s3)C3CC3)C2)s1 89656251 WWZMJRQMLTWGSN-OAHLLOKOSA-N 374.531 3.946 0 40 FHAB CCOC(=O)C[C@H](NC(=O)c1scnc1C1CC1)c1ccc(F)cc1 89782003 AEFLCYLSCSJDAU-AWEZNQCLSA-N 362.426 3.584 0 40 FHAB Fc1ccc2c(c1)nc1n2[C@@H](CNCc2cnc3ccccc3c2)COC1 96112720 WFBQXILUFCNPAQ-KRWDZBQOSA-N 362.408 3.585 0 40 FHAB biogenic,in-vitro CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1cccc2c1ccn2C 96116540 BXJAWDTVTDCRFT-UHFFFAOYSA-N 360.417 3.730 0 40 FHAB biogenic O=C(CC1=CCCCC1)N1Cc2cncn2C[C@@H](COCC2CCC2)C1 96207752 NJCPVINBRKQAHL-IBGZPJMESA-N 357.498 3.549 0 40 FHAB COc1ccc(CC(=O)N[C@@H]2CCCc3c2[nH]c2ccc(OC)cc32)cc1 96222425 ITQLXRLTCONJTI-HXUWFJFHSA-N 364.445 3.921 0 40 FHAB biogenic Cc1ccc(C2=N/C(=C\c3c(Cl)nc4ccccn34)C(=O)O2)cc1C 96310820 QZRPJZFQHFWADN-UVTDQMKNSA-N 351.793 3.949 0 40 FHAB COC(=O)c1ccc2c(c1)[C@@H]1C[C@@](C)(O2)N(c2ccc(C)c(C)c2)C(=O)N1 101085139 PRCUOBUHITZXOE-LAUBAEHRSA-N 366.417 3.860 0 40 FHAB Cc1cccc(C)c1N1C(=O)C[C@H](Nc2ccc(Br)cc2)C1=O 101275554 LKXGZHZERYOFNL-HNNXBMFYSA-N 373.250 3.810 0 40 FHAB CN1O[C@@H]2[C@H]3C[C@@H]([C@@H]4ON(C)[C@@H](c5ccccc5)[C@@H]43)[C@H]2[C@H]1c1ccccc1 103661745 XYSZPVPKJUXUFN-QQIDZAGHSA-N 362.473 3.842 0 40 FHAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@H](c3nnc(S)n3C3CC3)C2)C1(C)C 111137102 YABSOMLHIZSOSZ-IMJJTQAJSA-N 374.554 3.846 0 40 FHAB CCC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCCC1 217449749 JHCRJYBTZUNXIZ-ZDUSSCGKSA-N 368.499 3.596 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCCN1CCCc2ccccc21 219329715 GXGOHXPYACZBGX-OAQYLSRUSA-N 370.468 3.942 0 40 FHAB COc1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2C)cc1OC 222583304 YYLRFCFZVQLBOV-UHFFFAOYSA-N 367.380 3.861 0 40 FHAB CCS(=O)(=O)Nc1ccc(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 223440231 ABZPUJCJGBJMHQ-MRXNPFEDSA-N 374.506 3.864 0 40 FHAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)c1 224266210 KKQZBBXRWDGPAM-RBZLQPHVSA-N 364.445 3.664 0 40 FHAB Cn1c(=O)sc2cc(NC(=O)c3ccc(N4CCCCC4)cc3)ccc21 225042555 QDNMOKNVJMYUBC-UHFFFAOYSA-N 367.474 3.843 0 40 FHAB COCCCNC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)cc1 225307667 PRYBMWOSUAMTGZ-UHFFFAOYSA-N 374.868 3.678 0 40 FHAB COCCNC(=O)c1ccccc1NC(=S)Nc1ccc(Cl)cc1 225463630 HMCDRHXKSIECBZ-UHFFFAOYSA-N 363.870 3.525 0 40 FHAB COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(OC)cc2)c1C 225464164 ORIVCRBXROQFMZ-CYBMUJFWSA-N 358.463 3.838 0 40 FHAB O=C(c1ccccn1)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257268081 MKCRRKLUOSXXHX-INIZCTEOSA-N 365.408 3.819 0 40 FHAB COc1ccc(Cc2cnc([C@@H]3CCCN3c3cc(C)ncn3)o2)cc1 257328799 XHEAZRKZFAMJQS-SFHVURJKSA-N 350.422 3.714 0 40 FHAB CC(=O)N[C@H]1CCCC[C@]12CN(Cc1ccc(C(C)(C)C)cc1)CCO2 306127116 FORUAOFMHHWLNJ-UNMCSNQZSA-N 358.526 3.634 0 40 FHAB C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)c1ccccc1 408647654 JOKXSLUTRLXPNU-UKRRQHHQSA-N 371.820 3.508 0 40 FHAB Cc1ccc(N([C@@H](C)C(=O)Nc2c(C)cccc2C)S(C)(=O)=O)cc1C 409382222 QFPIJSDEKRENQA-KRWDZBQOSA-N 374.506 3.713 0 40 FHAB O=C(N[C@H]1CCOC2(CCC2)C1)c1csc(Cc2ccc(F)cc2)n1 532635452 HOPLDWAIMAHIPF-HNNXBMFYSA-N 360.454 3.705 0 40 FHAB O=C(c1ccc(-n2ccnn2)cc1)N1CC2(CCCC2)c2c(F)cccc21 534815548 VECJDUIIEQIAEK-UHFFFAOYSA-N 362.408 3.879 0 40 FHAB Cc1ccc(NC(=S)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1 575420144 GHOAEVKGFOYLPL-KRWDZBQOSA-N 358.488 3.509 0 40 FHAB Cc1cc2c(cc1-c1ccnc(N3CCOCC3)n1)[C@H](C)CC(C)(C)N2 575473231 PDAHUXRWVOQBNU-OAHLLOKOSA-N 352.482 3.986 0 40 FHAB CS(=O)(=O)c1ccc(C(=O)N2CCCCc3cc(Cl)ccc32)s1 585114377 AASMXOGHUKJKAB-UHFFFAOYSA-N 369.895 3.788 0 40 FHAB COc1ccccc1-c1n[nH]cc1C(=O)NCCc1cn(C)c2ccccc12 604419529 DRWXQAIQAJBCIW-UHFFFAOYSA-N 374.444 3.550 0 40 FHAB COc1cc(C(=O)NC[C@H]2C[C@@H](OC)C2)cc(Cl)c1OCCC(C)C 629826777 QKPCYCHKTRPYIZ-OTVXOJSOSA-N 369.889 3.928 0 40 FHAB CS(=O)(=O)c1ccc(C(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)s1 643315689 CNRRLQWKAXNBMM-HZPDHXFCSA-N 373.499 3.612 0 40 FHAB COC(=O)[C@@H](NC(=O)c1ccc(F)c(C)c1)c1cccc(C(F)(F)F)c1 1534093297 VFCQRAMASCADAQ-HNNXBMFYSA-N 369.314 3.797 0 40 FHAB C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)c1ccc2c(c1)CC(C)(C)O2 1544406348 OHEZBEUECKTYTQ-HUUCEWRRSA-N 372.509 3.508 0 40 FHAB COc1cccc(-c2cc(C)nc([C@@H]3CN(C(=O)C(C)C)CCO3)c2)c1 2037834430 CXBDMSLSQGZFAC-FQEVSTJZSA-N 354.450 3.622 0 40 FHAB CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1cccs1 24580384 QORXNSMKZNPOCJ-LRDDRELGSA-N 364.898 3.862 0 40 FHAB CCCCNCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 3153922 TUERYUKPWFQTJF-UHFFFAOYSA-N 368.300 3.901 0 40 FHAB CCOc1ccc(C(=O)CSc2nnc(-c3ccco3)n2CC)cc1 1364324 GFYFPXZCKFRHRC-UHFFFAOYSA-N 357.435 3.932 0 40 FHAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2cccc3ccccc23)c1 1948832 GTCRGRXRYDGWDR-UHFFFAOYSA-N 365.385 3.653 0 40 FHAB C[C@H]1c2cccn2CCN1CC(=O)NCC(c1ccccc1)c1ccccc1 24841059 KSWIYQDSPNPEDU-IBGZPJMESA-N 373.500 3.813 0 40 FHAB CCCCN(C(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccccc1 24925695 METIBVFQVNYXBJ-UHFFFAOYSA-N 364.445 3.783 0 40 FHAB CCN(CC)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2OC)cc1 3338301 VCKQGHIJMRRGFO-OAHLLOKOSA-N 370.449 3.725 0 40 FHAB COc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccccc4)C3)n2)cc1 1362866 XDABYZIXPKAQOA-KRWDZBQOSA-N 363.417 3.765 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCN(c2ccc(O)cc2)CC1 34870165 LFTCYUNLSBWJCE-INIZCTEOSA-N 363.461 3.575 0 40 FHAB COc1ccc(-c2noc(CCC(=O)Nc3ccc(F)cc3F)n2)cc1 6728751 KBKQWNGRALTXBK-UHFFFAOYSA-N 359.332 3.595 0 40 FHAB COc1cccc(CNn2c(C)n[nH]c2=S)c1OCc1ccccc1F 7602691 QGMWZNVSHSGCDN-UHFFFAOYSA-N 374.441 3.720 0 40 FHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cc1cccc(F)c1 7824266 DUHRCYOMINBRJH-UHFFFAOYSA-N 351.425 3.546 0 40 FHAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 7882505 PBIQCWLGARBLHG-MRXNPFEDSA-N 360.413 3.840 0 40 FHAB CNC(=O)c1cccc(NC(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)c1 43681148 VIPUFDQYXQVCOI-LLVKDONJSA-N 365.355 3.948 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)c(C)c1 8481187 ITKCIZQQOOMOOV-QGZVFWFLSA-N 366.461 3.945 0 40 FHAB Cc1cccc(NC(=O)[C@H](C)N2CCN(c3ccccc3Cl)CC2)c1 58160607 HOCFWUXLLNKKOF-INIZCTEOSA-N 357.885 3.798 0 40 FHAB COc1ccc(-c2nsc(NC(=O)c3ccccc3C)n2)cc1OC 27662376 FKLRVVBUQVIVOD-UHFFFAOYSA-N 355.419 3.783 0 40 FHAB CC(C)(CC(=O)O)CC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 58223633 LPKCWAYARLLYEF-ZDUSSCGKSA-N 369.845 3.727 0 40 FHAB C[C@@H](Sc1ccccc1Cl)C(=O)NCc1cccc(NC(N)=O)c1 58225742 CDRKKKHIKNCNAB-LLVKDONJSA-N 363.870 3.628 0 40 FHAB C[C@H](NC(=O)c1cc(=O)c2ccccc2o1)c1nc(-c2ccccc2)c[nH]1 58227136 KKKDPBXOFZTAJA-ZDUSSCGKSA-N 359.385 3.674 0 40 FHAB CN(CCCNc1ccccc1)C(=O)Nc1cccc(N2CCOC2=O)c1 58245227 CFRCPBLMDUGIRR-UHFFFAOYSA-N 368.437 3.609 0 40 FHAB O=C(c1cc(=O)c2ccccc2o1)N1CCn2cccc2[C@H]1c1ccccc1 45248718 WXWXJLOFQDZVCM-JOCHJYFZSA-N 370.408 3.840 0 40 FHAB Cc1cccc(-n2nnnc2SCc2cc(=O)oc3cc(C)ccc23)c1 28699073 ZKLPDYSXGTUSAW-UHFFFAOYSA-N 364.430 3.678 0 40 FHAB CCCOc1c(Cl)cc(C(=O)N[C@@H]2CCCC[C@@H]2O)cc1OCC 84756765 NDNHHLYLKCNYKZ-CABCVRRESA-N 355.862 3.561 0 40 FHAB O=C(Nc1cccc(Cl)c1)[C@H]1CCCN1c1ncnc2ccccc12 11246794 LKJIODNTHRBDFN-QGZVFWFLSA-N 352.825 3.891 0 40 FHAB O=C(Nc1ccc(-n2cncn2)nc1)c1ccc(-c2ccc(Cl)cc2)o1 29109378 GNCJHQGJSAYQCD-UHFFFAOYSA-N 365.780 3.828 0 40 FHAB CCOC(=O)c1ccc(NCc2cc(Cl)c3c(c2)OCCCO3)nc1 29427394 BIWOJGAJLUBJGN-UHFFFAOYSA-N 362.813 3.685 0 40 FHAB O=C(Nc1ccc2c(c1)OCCCO2)c1c[nH]c(=S)n1-c1ccccc1 11761507 UAYIPNFWXLFXFA-UHFFFAOYSA-N 367.430 3.948 0 40 FHAB CCc1ccccc1N[C@@H]1CC(=O)N(c2ccccc2Br)C1=O 101276901 JISZWAFDQKNUMH-OAHLLOKOSA-N 373.250 3.756 0 40 FHAB COc1cccc([C@@H](CNc2cc(C)nc(-c3ccncc3)n2)N(C)C)c1 60112829 FFIWYFFABUXGAY-LJQANCHMSA-N 363.465 3.570 0 40 FHAB O=C(NC(=S)Nc1ccccn1)c1cccc(OCc2ccccc2)c1 21596211 VESSYHSZJXXAHC-UHFFFAOYSA-N 363.442 3.787 0 40 FHAB Cc1cccc(-n2ccnc2SCC(=O)N(C)Cc2ccsc2)c1 10888278 XJWNEENGXOJXBY-UHFFFAOYSA-N 357.504 3.993 0 40 FHAB Cc1c(S(=O)(=O)c2ccc(F)cc2)c(N)n(Cc2cccs2)c1C 12372604 PAQWNVDCMSCHMZ-UHFFFAOYSA-N 364.467 3.769 0 40 FHAB NC(=O)CCN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1Cl 20119729 QBCCECFKIIOLCV-UHFFFAOYSA-N 351.233 3.511 0 40 FHAB O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1ccc(Cl)cc1Cl 3252144 BJARLGRGZVAOSI-UHFFFAOYSA-N 365.138 3.813 0 40 FHAB O=c1[nH]c2ccc(NC(=S)Nc3ccc(Cl)c(Cl)c3)cc2[nH]1 3346713 DTGAJJBJVZBAQL-UHFFFAOYSA-N 353.234 3.972 0 40 FHAB CC(C)c1ccccc1OC[C@@H](O)CNCCCN(C)c1ccccc1 3441465 SXDSPCUKFCRDRT-FQEVSTJZSA-N 356.510 3.666 0 40 FHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](c1ccccc1)C1CC1 12924592 LCRYMGWODOFSTH-HNAYVOBHSA-N 352.434 3.569 0 40 FHAB CCOc1ccc(-c2cc(C(=O)NCCOC)c3ccccc3n2)cc1 6048275 RZPULZDMCZEQGV-UHFFFAOYSA-N 350.418 3.677 0 40 FHAB COc1ccccc1C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)C(C)C 9303233 JWQGAJSSHCISEI-UHFFFAOYSA-N 364.445 3.896 0 40 FHAB COc1ccc(NC(=O)C[C@@H]2Nc3cc(C)c(C)cc3NC2=O)cc1Cl 5015940 DQHQLYCTOOBICL-INIZCTEOSA-N 373.840 3.727 0 40 FHAB Cc1ccccc1[C@H](CC(=O)N1CCC[C@H]1c1ccccc1C)NC(N)=O 84235449 VKCDSIUGIYPOCJ-PMACEKPBSA-N 365.477 3.767 0 40 FHAB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)c1ccccc1 13856494 AWPDMOZCEVOGTH-SFHVURJKSA-N 373.408 3.619 0 40 FHAB COCCn1c(SCC(=O)c2cc(C)n(C)c2C)nc2ccccc21 4484794 JLEJIROXUPKHKI-UHFFFAOYSA-N 357.479 3.613 0 40 FHAB CCn1nnc2cc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)ccc21 14377029 ZUKZVUNUTGGHDE-UHFFFAOYSA-N 367.409 3.966 0 40 FHAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 4703069 JCAQWWYEFWPESI-CYBMUJFWSA-N 358.825 3.730 0 40 FHAB O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2ccccn2)CC1 4723018 BWGMZIBVLUMQGX-UHFFFAOYSA-N 357.457 3.562 0 40 FHAB CC(C)CN(C(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 9452349 OGCQNKMOYIAPAW-HXUWFJFHSA-N 371.502 3.639 0 40 FHAB CC(=O)Nc1cccc(NC(=O)CSc2ccc3ccccc3n2)c1 5626754 LHIAPQRYJAZNCH-UHFFFAOYSA-N 351.431 3.924 0 40 FHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[C@H](C)c2ccccc2)c1 5636046 MDWRCOWIHUFFAJ-INIZCTEOSA-N 374.506 3.849 0 40 FHAB CCCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OC(C)C)cc1 6756948 BJESSDGGFFNSKA-QGZVFWFLSA-N 362.495 3.610 0 40 FHAB Cn1c(CNC(=O)CCSc2ccc(F)c(F)c2)nc2ccccc21 9466430 WCYUSLWRLQMWMX-UHFFFAOYSA-N 361.417 3.650 0 40 FHAB CC(=O)c1cccc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1 5704841 MLLBCYDVAYHAGH-UHFFFAOYSA-N 365.433 3.772 0 40 FHAB CCn1nc(C(=O)N(C)[C@H]2CCCc3ccccc32)c2ccccc2c1=O 9596527 GFUDHALXOUPAKU-IBGZPJMESA-N 361.445 3.566 0 40 FHAB CCc1ccc2c(COC(=O)c3cccc(N(C)C)c3)cc(=O)oc2c1 7435827 IISMDKHCCGZVBD-UHFFFAOYSA-N 351.402 3.778 0 40 FHAB O=C(Cc1cccc2ccccc12)NCC1(N2CCOCC2)CCCCC1 19902273 RNRZSEHQNDTMSY-UHFFFAOYSA-N 366.505 3.534 0 40 FHAB Cc1csc2nc(CSc3nnc(C4CCCCC4)o3)cc(=O)n12 8324434 XGCPSLJAQCVFPD-UHFFFAOYSA-N 362.480 3.787 0 40 FHAB COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2c(C)noc2C)cc1 8427659 JJXQSFKICKDHHI-QGZVFWFLSA-N 364.467 3.606 0 40 FHAB COCCn1ccnc1[C@@H]1CN(Cc2ccc(F)cc2)Cc2ccccc21 306133675 MSMZEESRXCHWMF-OAQYLSRUSA-N 365.452 3.816 0 40 FHAB O=C(CSCc1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1 18191885 CMGWJRIEMGQDKX-UHFFFAOYSA-N 360.910 3.922 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)N2CCCCC[C@H]2c2ccncc2)c1C 84007909 SGFCHPYHIWDVHO-INIZCTEOSA-N 355.438 3.571 0 40 FHAB CCN(CC(=O)NCCc1nc2ccccc2s1)Cc1cccs1 96955434 AQLGSQRFVNWQIC-UHFFFAOYSA-N 359.520 3.539 0 40 FHAB CC(=O)N[C@@H](C)c1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1 8981962 DFDCSNKJLFOZRE-NSHDSACASA-N 355.419 3.853 0 40 FHAB O=C1Nc2ccccc2[C@]12CCN[C@@H]2c1ccc(F)c(Br)c1 61718189 VECHMBSCRWVRIG-WBVHZDCISA-N 361.214 3.513 0 40 FHAB COC(=O)c1cc(C(=O)N2CCC[C@@H]2c2cccc3ccccc23)on1 95993614 OLJNZBFAKQQLJD-QGZVFWFLSA-N 350.374 3.592 0 40 FHAB COc1ccc(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)cc1 68002856 BTKKFYOFPYBZES-HXUWFJFHSA-N 363.461 3.878 0 40 FHAB CC(C)(CO)CCCNC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 75094228 CICQNTMCFKAYHJ-HNNXBMFYSA-N 359.470 3.516 0 40 FHAB CCOc1ccc(F)c(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)c1F 89768791 GSCMAQCEWQCHNF-UHFFFAOYSA-N 361.323 3.941 0 40 FHAB CCCCCCNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408707549 OGZYGZSHYUMQHO-UHFFFAOYSA-N 352.478 3.631 0 40 FHAB CC(=O)N1CCc2c(NCC(=O)Nc3ccc(C(C)(C)C)cc3)cccc21 546679629 SBOUCMMHFVIVKX-UHFFFAOYSA-N 365.477 3.944 0 40 FHAB Cc1cc(C)nc(NC(=O)c2ccc(COc3ccc(F)cc3F)o2)n1 27983766 QDUPKICHTYHQAQ-UHFFFAOYSA-N 359.332 3.796 0 40 FHAB Cc1ccc(S(=O)(=O)N(C2CC2)[C@H](C)C2CC2)c(Br)c1 30337027 HOAHASLAYYMZIT-LLVKDONJSA-N 358.301 3.709 0 40 FHAB Cc1nc(C)c2c(C)c(C(=O)N(Cc3cccnc3)C3CC3)sc2n1 32970098 ORVDNNWSKZTWSU-UHFFFAOYSA-N 352.463 3.816 0 40 FHAB CCOc1cccc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1 33667463 SELLGWMBQHKIQR-UHFFFAOYSA-N 360.841 3.828 0 40 FHAB CC[C@H](C)n1ncc2c(C(=O)N3CCOc4ccc(F)cc43)cc(C)nc21 122435957 DDYALYBZXJUACO-ZDUSSCGKSA-N 368.412 3.889 0 40 FHAB O=C(c1ccco1)N1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc2c(c1)OCO2 16031630 LVUOKRPGTOQAIM-NYSBEXSLSA-N 369.417 3.517 0 40 FHAB biogenic Cn1nccc1CN1CCC(c2nccnc2Oc2ccccc2F)CC1 72362830 SKUUTSWBSNICRY-UHFFFAOYSA-N 367.428 3.521 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)c1ccc(Cn2ccnc2C)cc1 38834619 MNMBHPIYLAJTHN-UHFFFAOYSA-N 363.417 3.669 0 40 FHAB Cc1sc2ncc(C(=O)Nc3ccc(Cl)c(Cl)c3)c(=O)n2c1C 183398816 FEUXZRRRMZVSOO-UHFFFAOYSA-N 368.245 3.932 0 40 FHAB O=C(CN1CCCCCC1)N1CCC[C@H]1c1n[nH]cc1-c1ccc(F)cc1 72380341 ZLSLRISDNXUXHG-IBGZPJMESA-N 370.472 3.755 0 40 FHAB O=C(NCCSCc1ccccc1)c1ccc(Cn2ccnc2)cc1 38837116 NCUCYOMPMZWIJO-UHFFFAOYSA-N 351.475 3.595 0 40 FHAB O=C(O)[C@@H](c1cccnc1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 563282828 UEOQRPLYWFMYBB-XJKSGUPXSA-N 367.232 3.667 0 40 FHAB Cc1ccccc1-c1n[nH]c(S[C@@H](C)C(=O)Nc2nc(C)c(C)s2)n1 72191812 PRRNHFULKLUVCF-LBPRGKRZSA-N 373.507 3.973 0 40 FHAB O=C(Nc1ccc2[nH]ccc2c1)c1cc(=O)c(OCc2ccccc2)co1 40283243 OZVINQMEUMJAHK-UHFFFAOYSA-N 360.369 3.952 0 40 FHAB Cc1ccc(-n2ncc(C(=O)N3C[C@H](C)O[C@H](C)C3)c2C2CC2)cc1Cl 40073321 HBTGOOXQDLVPAF-OKILXGFUSA-N 373.884 3.961 0 40 FHAB Cc1cccc2sc(OC3CN(C(=O)/C=C/c4cccs4)C3)nc12 75166714 NXDZGSPTANOFOD-BQYQJAHWSA-N 356.472 3.969 0 40 FHAB Cc1ccccc1-c1noc(CN(C)C(=O)CCc2ccc(F)cc2)n1 223244555 NKTOSZNLDOCOSF-UHFFFAOYSA-N 353.397 3.775 0 40 FHAB CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224841288 CVZKYGFPFLGIHA-UHFFFAOYSA-N 374.245 3.590 0 40 FHAB CSCC[C@H](NC(=O)c1ccc(C)cc1)C(=O)Nc1ccccc1F 41157646 ASUYIQJSWVVAKU-KRWDZBQOSA-N 360.454 3.624 0 40 FHAB Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccnc(C)c3)c2)cc1 571746414 LNFMTSZKFAMLRY-UHFFFAOYSA-N 359.429 3.881 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCSc1ccccc1 222922239 QTIXJBRPVSOXFO-LJQANCHMSA-N 370.518 3.722 0 40 FHAB COc1cccc(-c2noc(CN(C)C(=O)Cc3ccc(C)cc3C)n2)c1 223100301 LNMRKZZYUWCNSF-UHFFFAOYSA-N 365.433 3.563 0 40 FHAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)cn1 222773338 RCTZFLVFLACWJR-MOPGFXCFSA-N 363.490 3.568 0 40 FHAB O=C(O)c1ccccc1-c1cnc(CN2CCC[C@@H]2c2ccccn2)nc1 257211075 BXKRECSGPUIJPZ-LJQANCHMSA-N 360.417 3.574 0 40 FHAB O=C(CC1CCCCC1)N1CCC[C@@H](Cc2cncc(-c3ncc[nH]3)n2)C1 257256863 KNFMORTWLTZCSW-KRWDZBQOSA-N 367.497 3.618 0 40 FHAB O=C(NCCCc1cc2ccccc2o1)C(=O)Nc1ccc(F)c(Cl)c1 390831104 PQPDNGDGZLRNSH-UHFFFAOYSA-N 374.799 3.913 0 40 FHAB COc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(C(F)(F)F)cc1 55840877 CHRZITHZWACWIB-UHFFFAOYSA-N 366.339 3.668 0 40 FHAB O=C(O)c1csc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c1 19994091 CSHQWJSKMZIQLW-UHFFFAOYSA-N 352.220 3.554 0 40 FHAB CCOc1ccc(NC(=O)c2ccn(-c3ccc(F)cc3F)n2)nc1C 1533420484 GHTISGPEZJEWTL-UHFFFAOYSA-N 358.348 3.505 0 40 FHAB O=C(c1cccc2nccnc12)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 12221901 ZCPAUHQVRMCGHE-GOSISDBHSA-N 357.417 3.874 0 40 FHAB CCN(CC)CCn1c(NC(=O)c2ccc(Cl)o2)nc2ccccc21 12525172 OGZQLCQZEDQROP-UHFFFAOYSA-N 360.845 3.877 0 40 FHAB CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc(C)cc3C)ccc21 13583991 FJHNQXQIYPKONN-UHFFFAOYSA-N 372.490 3.658 0 40 FHAB Cc1cccc(-n2[nH]c3ncc4c(c3c2=O)C[C@@H](c2ccccc2)CC4=O)c1 13611290 SWKUOIZNQKBDBL-MRXNPFEDSA-N 369.424 3.935 0 40 FHAB COc1cc(CNCCC(C)C)ccc1Oc1nnnn1-c1ccccc1 13717788 RRBIOXQRSSMNBV-UHFFFAOYSA-N 367.453 3.599 0 40 FHAB CCc1ccc(OCCCn2c([C@@H](C)NC=O)nc3ccccc32)cc1 16902418 YEXLPODBPDULJT-MRXNPFEDSA-N 351.450 3.875 0 40 FHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 17605355 DIUFTIGVRLKPCX-ZDUSSCGKSA-N 358.825 3.873 0 40 FHAB CCN1CCC[C@@H]1CN(Cc1ccncc1)Cc1c(OC)cccc1OC 19527211 HYBAWURYOAXLAY-LJQANCHMSA-N 369.509 3.585 0 40 FHAB Cc1noc2nc([C@@H]3CCCN(C(=O)c4ccncc4)C3)cc(C(F)F)c12 19564192 FXOFTSVLYNOSMI-CYBMUJFWSA-N 372.375 3.884 0 40 FHAB CCN(C)[C@@H]1CN(C(=O)c2ccc(OCCOC)cc2)C2(CCCCC2)C1 19703796 FDCYICYIILUPOO-IBGZPJMESA-N 374.525 3.581 0 40 FHAB COc1cc(Br)cc(/C=C2/C(=O)N(C)c3ccccc32)c1OC 8091813 MPSAJCYNJOLEMC-NTEUORMPSA-N 374.234 3.983 0 40 FHAB CCc1nnc(-c2cc3ccccc3n2CC(=O)NC2CCCCC2)o1 15881403 ADJDKWMTBBQODP-UHFFFAOYSA-N 352.438 3.703 0 40 FHAB Cc1cccc(OCC(=O)N2CC[C@H](Oc3cccc4cccnc34)C2)c1 238945706 WKGFUZOFNWBFJQ-IBGZPJMESA-N 362.429 3.602 0 40 FHAB FC(F)(F)c1cccc(-c2cnc3cnc(CC4CCNCC4)cn23)c1 2037838354 FRFGEDMEGYXRKT-UHFFFAOYSA-N 360.383 3.957 0 40 FHAB Cc1cccc(NC(=O)c2cccn(OCc3cccc(Cl)c3)c2=O)c1 4162908 SVEWBJOXBJHMHO-UHFFFAOYSA-N 368.820 3.691 0 40 FHAB Cc1cc(C)cc(C(=O)Oc2coc(CSc3ncccn3)cc2=O)c1 4377175 VYQLWFFJYOECFO-UHFFFAOYSA-N 368.414 3.558 0 40 FHAB Cc1cccc(-n2ncc3c(O)nc(SCc4ccccn4)nc32)c1C 9018897 BTIAPXIPDAMZJF-UHFFFAOYSA-N 363.446 3.825 0 40 FHAB COc1ccc(-c2nc3c(C(=O)O)cc(-c4ccc(O)cc4)nc3[nH]2)cc1 11694747 CIMCUOXUOFUFLU-UHFFFAOYSA-N 361.357 3.704 0 40 FHAB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1cc(Cl)ccc1Cl 16094400 OHTHGJRRJGSIAB-UHFFFAOYSA-N 362.190 3.978 0 40 FHAB Cc1ccc(-c2cc(C(=O)NCc3ccc(Cn4ccnc4)cc3)[nH]n2)cc1 30217809 ZUDPAFCDGRZKFN-UHFFFAOYSA-N 371.444 3.560 0 40 FHAB O=C(CCc1nc(-c2cccs2)no1)Nc1ccc2ccccc2n1 40012886 KUUWBOJDAAZMBT-UHFFFAOYSA-N 350.403 3.918 0 40 FHAB O[C@@H](c1ccccc1)C1CCN(Cc2nc(Cc3ccccc3)no2)CC1 40105454 VXNRHVCKANWYCP-QFIPXVFZSA-N 363.461 3.606 0 40 FHAB CC1=C(c2nc(-c3ccccc3C)no2)[C@H](c2ccco2)NC(=S)N1 20739176 WGWDOWDNMNJXBF-HNNXBMFYSA-N 352.419 3.588 0 40 FHAB Cc1cc(C(=O)COc2ccc(N3CCCC3=O)cc2)c(C)n1C1CC1 32888544 HFFAPCJOSPPFRF-UHFFFAOYSA-N 352.434 3.828 0 40 FHAB C[C@H](NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1)[C@H]1C[C@H]2CC[C@H]1C2 102609199 BBSVCYAZNREFTL-AUZPSNTRSA-N 355.404 3.720 0 40 FHAB Cc1nnc(N2CCN(c3nnc(C)c4ccccc34)CC2)c2ccccc12 32906126 OYOIACANYBDGCI-UHFFFAOYSA-N 370.460 3.516 0 40 FHAB Cc1c(OCC(=O)N(C)c2ccccc2)ccc2c3c(c(=O)oc12)CCC3 793115 AYMINYBPWLHMHW-UHFFFAOYSA-N 363.413 3.632 0 40 FHAB COc1ccc(NC(=O)c2ccc3c(c2)OCCCO3)cc1OC(F)F 22753648 GQQCTFJUAQPDTF-UHFFFAOYSA-N 365.332 3.710 0 40 FHAB Cc1cccc(C)c1NC(=O)CN1CCN([C@H](C)c2ccccc2)CC1 22786284 XWOPOFKCBCKEGE-LJQANCHMSA-N 351.494 3.621 0 40 FHAB O=c1ccc2cc(S(=O)(=O)Oc3cccc(C(F)(F)F)c3)ccc2o1 23082611 GJJVPRBHBQJMKU-UHFFFAOYSA-N 370.304 3.580 0 40 FHAB CC(=O)c1ccc(O[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)cc1 836572 SPAYKOCNVDOAPY-ZDUSSCGKSA-N 352.645 3.737 0 40 FHAB O=C(Nc1nc[nH]n1)c1sc2cccc(F)c2c1COc1ccccc1 23141048 BLZUWQCIXHSQIP-UHFFFAOYSA-N 368.393 3.990 0 40 FHAB O=C(CSc1ncnc2c(-c3ccccc3)c[nH]c12)N1CCCCC1 71328129 RJKBZMRWRXFFCY-UHFFFAOYSA-N 352.463 3.730 0 40 FHAB Cc1[nH]c2c(C(=O)N3CCN(Cc4ccccc4F)CC3)cccc2c1C 24479068 GKSYIXXESLYTED-UHFFFAOYSA-N 365.452 3.882 0 40 FHAB O=C(NC[C@H]1CCCc2ccccc21)Nc1nnc(-c2ccccn2)s1 47791098 WSMMMFGRMLCXSI-CQSZACIVSA-N 365.462 3.842 0 40 FHAB CCn1nnnc1SCC(=O)N1c2ccccc2Sc2ccccc21 892166 RBOJKEAKIGFPDS-UHFFFAOYSA-N 369.475 3.615 0 40 FHAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)N[C@H]1CCCN(c2ccccc2)C1 77710609 LCDOPCJBDVJZQM-SFHVURJKSA-N 361.449 3.867 0 40 FHAB CCCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccco1 1364394 AGHULJWOKNKQFL-UHFFFAOYSA-N 360.414 3.818 0 40 FHAB CCCCN1C(=O)c2ccc(C(=O)Nc3cccc(C(C)=O)c3)cc2C1=O 3611428 UJKYQTQFMRKDSK-UHFFFAOYSA-N 364.401 3.538 0 40 FHAB CN(C)c1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 4507434 QWXXYSZAKGZANV-UHFFFAOYSA-N 367.232 3.855 0 40 FHAB CN(C(=O)c1ccc(C2SCCCS2)cc1)c1ccc(C(N)=O)cc1 55985275 CERJKCYMCRHPQM-UHFFFAOYSA-N 372.515 3.931 0 40 FHAB CCC(CC)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 4601884 YHKVZLPFIPRUFP-UHFFFAOYSA-N 368.477 3.965 0 40 FHAB CCc1cc2cccc(C)c2nc1SCC(=O)Nc1nnc(C)s1 4849296 KQACDYHCXSHKEY-UHFFFAOYSA-N 358.492 3.996 0 40 FHAB COc1ccc(-c2ccnc(SCC(=O)N3CCCCCC3)n2)cc1 4967892 OBLGHQUMULUCFX-UHFFFAOYSA-N 357.479 3.647 0 40 FHAB CCN(CCNC(=S)Nc1ccccc1)C(=S)Nc1ccccc1 6026430 XIZOMFLVMAGSOL-UHFFFAOYSA-N 358.536 3.692 0 40 FHAB CCCCCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 6401465 FPNILXFGGQVKGB-UHFFFAOYSA-N 364.442 3.547 0 40 FHAB C#CCOc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1OCC 7008855 FNDYNXUYFFJELH-FOKLQQMPSA-N 363.339 3.957 0 40 FHAB CC(C)CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 57555118 XPQWNXUUUYNOBZ-UHFFFAOYSA-N 351.494 3.993 0 40 FHAB Cc1cccc(Cl)c1NC(=O)Cn1cnc2ccc(Cl)cc2c1=O 57520035 KUNSSGYKLDEGSB-UHFFFAOYSA-N 362.216 3.650 0 40 FHAB Cn1c(SCCCOc2ccccc2C=O)nnc1-c1ccccc1 8731714 RNIRPJPJPHFQPS-UHFFFAOYSA-N 353.447 3.856 0 40 FHAB COc1cc2c(cc1OC)CN(CN1C(=O)c3cccc4cccc1c34)CC2 27491070 BIUJGDKAIQFSAD-UHFFFAOYSA-N 374.440 3.833 0 40 FHAB COc1ccc([C@H](C)NC(=O)c2ccc(N3CCCC3)c(F)c2)c(OC)c1 84651694 JLEFBVPXWFDCAK-AWEZNQCLSA-N 372.440 3.934 0 40 FHAB COc1ccc([C@@H](NC(=O)C[C@H]2OC(=O)c3ccccc32)C2CC2)cc1 73089220 UPEOUCDTWPVSSN-QUCCMNQESA-N 351.402 3.564 0 40 FHAB O=C1CCC(=O)N1c1ccc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)cc1 58225990 SBCHVYRCUTWCAM-FQEVSTJZSA-N 374.440 3.632 0 40 FHAB CN1CCN(C(=O)c2cc3sccc3n2Cc2ccc(Cl)cc2)CC1 44916406 MFPOTGYJVFOWEX-UHFFFAOYSA-N 373.909 3.792 0 40 FHAB CC(=O)Nc1ccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)s1 10304185 NARFTFZASFZFBQ-GFCCVEGCSA-N 350.440 3.813 0 40 FHAB CCCCN1CNc2c(C(=O)OCC)sc3nc(SC)nc1c23 2127235 XHKJZWMCQDQXPA-UHFFFAOYSA-N 352.485 3.579 0 40 FHAB C[C@@H]1CCC[C@@](CNC(=O)Nc2ccccc2-n2cccn2)(N(C)C)C1 58368943 BOJRSZWIBSVOIL-OXQOHEQNSA-N 355.486 3.504 0 40 FHAB Cc1cnc2c(S(=O)(=O)N[C@@H]3CCc4cc(F)ccc43)cccc2c1 58415124 OTSOCHFBGOWXGE-QGZVFWFLSA-N 356.422 3.648 0 40 FHAB COc1ccc([C@@H]2CCCN2CC(=O)N(C)Cc2ccsc2)cc1OC 36395361 YDNMLTAFCNQSTM-KRWDZBQOSA-N 374.506 3.561 0 40 FHAB Cc1nc(SCC(=O)NCc2ccccc2)c2c3c(sc2n1)CCC3 3267240 QEGIWBRUGNNZEW-UHFFFAOYSA-N 369.515 3.897 0 40 FHAB Cc1ccc(-c2noc(COC(=O)c3cc(O)nc4ccccc34)n2)cc1 11458211 DNKLFNLRXAAGPW-UHFFFAOYSA-N 361.357 3.656 0 40 FHAB CN(C)CCOc1ccccc1C(=O)N[C@@H]1CCSc2ccc(F)cc21 59856536 SYMCOPKTJJCQNC-QGZVFWFLSA-N 374.481 3.733 0 40 FHAB O=C(Nc1ccc(OC(=O)[C@H]2Cc3ccccc3O2)cc1)c1cccs1 29479895 OPNLITKMEIEWQA-QGZVFWFLSA-N 365.410 3.910 0 40 FHAB CCOC(=O)c1c(NC(=O)c2ccc(F)c(F)c2)sc2c1CCC2 3267805 GEZMIIICMZIXIA-UHFFFAOYSA-N 351.374 3.944 0 40 FHAB CCOC(=O)[C@@]1(c2cn(C)c3ccccc23)Sc2ccccc2NC1=O 2643760 XVKZZVQDPOCWCF-FQEVSTJZSA-N 366.442 3.681 0 40 FHAB Cc1sc2ncnc(SCc3nc4ccccc4c(=O)[nH]3)c2c1C 2657980 IPENDMDTHFQDNZ-UHFFFAOYSA-N 354.460 3.837 0 40 FHAB O=C(Cc1ccc(Cl)cc1Cl)N1CCN(c2ccc(O)cc2)CC1 3252488 SKSGSTGUFACCPK-UHFFFAOYSA-N 365.260 3.590 0 40 FHAB O=C(/C=C/c1cnc2ccccc2n1)OCCOc1ccc(Cl)cc1 2663674 FCWPHBXAIFZKIA-JXMROGBWSA-N 354.793 3.919 0 40 FHAB CCOc1cccc2c1OCC(C(=O)N1CCC[C@H]1c1cc(C)on1)=C2 46764977 IFLDZERUHZHBCM-KRWDZBQOSA-N 354.406 3.521 0 40 FHAB O=C(O)[C@H](c1c[nH]c2ccccc12)N1CCN(c2ccc(Cl)cc2)CC1 12324927 UZHCEBZOXLCJBN-IBGZPJMESA-N 369.852 3.769 0 40 FHAB COC(=O)c1ccc(NCC(=O)Nc2ccccc2C(F)(F)F)c(C)c1 12769121 BVZSJKMZGNWKAK-UHFFFAOYSA-N 366.339 3.851 0 40 FHAB CCN(CC)[C@H](CNC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 12767734 CPKLGOUETPUHMD-QGZVFWFLSA-N 355.438 3.620 0 40 FHAB CNC(=O)COC(=O)c1c(C)c(-c2cccc(Cl)c2)nc2ccccc12 3387005 CPRDWXNYNUOCFJ-UHFFFAOYSA-N 368.820 3.766 0 40 FHAB C[C@@H](CCc1ccco1)Nc1ncnc2c1cnn2-c1ccc(F)cc1 12818764 MUDZXZGRMNXVCE-ZDUSSCGKSA-N 351.385 3.981 0 40 FHAB NC(=O)c1cc(NC(=O)c2csc(-c3ccccc3)n2)ccc1Cl 12899538 OJTGSDOSGWKESA-UHFFFAOYSA-N 357.822 3.815 0 40 FHAB O=C(CSc1nncn1-c1ccccc1)N[C@H]1CCCc2ccccc21 3405152 LRSPXCFPRNWRPN-SFHVURJKSA-N 364.474 3.553 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)N(C)c2cc(Cl)cc(Cl)c2)cc1 113139778 NMUBZAUMDQDQKA-UHFFFAOYSA-N 373.261 3.777 0 40 FHAB Cc1ccc2c(CC(=O)NCc3ccc(Cn4cccn4)cc3)coc2c1 12972411 YUZUSUSCSBFUFZ-UHFFFAOYSA-N 359.429 3.845 0 40 FHAB CCN(CC)[C@H](C(=O)Nc1cc(NC(C)=O)ccc1C)c1ccccc1 75108849 MYYCHNWHGXSIOU-FQEVSTJZSA-N 353.466 3.975 0 40 FHAB CC(=O)c1ccc(N2C(=O)N3CCc4c([nH]c5ccccc45)[C@@]3(C)C2=O)cc1 4042138 YXUUENGYWJMPJK-QFIPXVFZSA-N 373.412 3.611 0 40 FHAB biogenic CC(=O)Nc1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1Cl 49633789 AOBMALARYKXXAS-UHFFFAOYSA-N 372.856 3.936 0 40 FHAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cccc(C[S@](C)=O)c1 65565954 IZBKBXAYXORJOH-RMKBEBRYSA-N 366.486 3.806 0 40 FHAB O=C(NCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)C1CCCCC1 9460393 QYOMIPFYRGQWRM-INIZCTEOSA-N 371.506 3.656 0 40 FHAB Cc1c(-c2ccccc2)sc2ncnc(NCC(=O)N3CCCC3)c12 14183305 GQMLPXGSPFJGPP-UHFFFAOYSA-N 352.463 3.701 0 40 FHAB CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)C1 14169688 CHTVCRZICXMPML-QGZVFWFLSA-N 352.434 3.984 0 40 FHAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(OC(F)F)cc1 6540157 WZEHRXJTWHQYSA-UHFFFAOYSA-N 359.332 3.735 0 40 FHAB CC(=O)c1cc2c(cc1NC(=O)c1cc(F)c(F)cc1Cl)OCO2 4619502 QYQNUGXPINOUPL-UHFFFAOYSA-N 353.708 3.802 0 40 FHAB COC(=O)[C@H]1CN(C(=O)c2ccc(Cl)cc2Cl)c2ccccc2O1 6810829 VJCMCOCVUFBULZ-OAHLLOKOSA-N 366.200 3.574 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)c2ccc3c(c2)CCC3)n1C 4947669 PVDZCTUCBIIBFB-UHFFFAOYSA-N 353.447 3.847 0 40 FHAB O=c1c2sccc2n(Cc2cc(F)ccc2F)c(=O)n1-c1ccccc1 67258009 UISYWUUMMQROMK-UHFFFAOYSA-N 370.380 3.540 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1ccc(Cl)cc1 7068480 JZZOGNSWWMBWDS-IBGZPJMESA-N 354.837 3.920 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc(C)n(C3CC3)c2C)c1C 7575363 GIQZLIFGWDETCJ-UHFFFAOYSA-N 356.422 3.627 0 40 FHAB Cc1[nH]c2ccc(C(=O)O[C@H](C)C(=O)N3CCc4ccccc43)cc2c1C 7984943 OVFVYIBQFVZJMX-OAHLLOKOSA-N 362.429 3.919 0 40 FHAB CCc1ccccc1NC(=O)CNC(=O)c1cc2c(s1)CC[C@@H](C)C2 8024131 WHHYTIJMDWXPEL-CYBMUJFWSA-N 356.491 3.804 0 40 FHAB O=C(Cc1ccc2c(c1)OCCO2)N[C@@H](c1ccc(Cl)cc1)C1CC1 8267565 FMEWTVFZJZEATL-HXUWFJFHSA-N 357.837 3.921 0 40 FHAB CC(C)Nc1ccc(C(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)cn1 81958736 KOTFDIQNTIEDMU-QGZVFWFLSA-N 367.449 3.650 0 40 FHAB NC(=O)c1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1 8308007 XAXPSNLLZBDQBP-UHFFFAOYSA-N 368.396 3.648 0 40 FHAB biogenic COc1ccc(CN(Cc2ccco2)C(=O)c2n[nH]c3c2CCCC3)cc1 8740597 CRHOUCBGONKUNC-UHFFFAOYSA-N 365.433 3.733 0 40 FHAB C[C@@H](c1cccs1)N(C)C(=O)c1ccc(/C=C2/SC(=O)NC2=O)cc1 96926009 XTOGQLZZJBWANT-KBVGCWLLSA-N 372.471 3.905 0 40 FHAB Cc1cccc(C2=CCN(C(=O)c3c(C)nn4c(C)cc(C)nc34)CC2)c1 92517687 LMXGVFCBBLADDM-UHFFFAOYSA-N 360.461 3.892 0 40 FHAB COc1ccc(-c2nonc2NC(=O)COc2ccc(Cl)cc2C)cc1 8915646 KDJMCRCVUYPCSW-UHFFFAOYSA-N 373.796 3.725 0 40 FHAB O=C(CCCc1nc2ccccc2s1)Nc1nnc([C@H]2CCCO2)s1 71283642 FUSXSIBSYGUHMP-GFCCVEGCSA-N 374.491 3.961 0 40 FHAB Cc1ccc(C(=O)OCC(=O)NCc2ccccc2C(F)(F)F)cc1C 72333902 LJALWSXHQXEJRZ-UHFFFAOYSA-N 365.351 3.795 0 40 FHAB COc1ccc(C(=O)Nc2cc(C)nn2-c2ccc(C)cc2)c(OC)c1 72595623 ASCVHPSTWPWJMZ-UHFFFAOYSA-N 351.406 3.759 0 40 FHAB CN(C)C1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 95080861 XHGYARQJHQMROI-UHFFFAOYSA-N 351.210 3.998 0 40 FHAB CCO[C@H]1C[C@@H](NC(=O)Nc2nc(-c3cccnc3)cs2)C12CCC2 76068765 AVTAFOIAMTVHSF-CABCVRRESA-N 358.467 3.674 0 40 FHAB CC(C)(COC(=O)C(c1ccccc1)c1ccccc1)CN1CCOCC1 32011203 IAGLOPOKOOHYOH-UHFFFAOYSA-N 367.489 3.720 0 40 FHAB CC(C)Oc1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 32808854 FFEXARSCHGRPKF-UHFFFAOYSA-N 373.396 3.971 0 40 FHAB COc1ccc(N2C[C@H](C(=O)NC3CCC(C(C)(C)C)CC3)CC2=O)cc1 408708333 PFGWFSCTMNFRTQ-KLAILNCOSA-N 372.509 3.769 0 40 FHAB CCOc1cc(/C=C(\Sc2nnc(C)o2)C(=O)O)ccc1OC(C)C 211544171 GNSMGQLRRDQYQZ-DHDCSXOGSA-N 364.423 3.782 0 40 FHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1 78329214 IOZOWOAFZJRPDQ-UHFFFAOYSA-N 367.854 3.853 0 40 FHAB COc1ccc(CCC(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1 36133917 LPEMCQLBLWOJLE-UHFFFAOYSA-N 371.824 3.648 0 40 FHAB Cc1ccc(N2C(=O)C[C@@H](Nc3ccc(Br)cc3)C2=O)cc1C 36635465 HIXDJHFOMCKHTB-MRXNPFEDSA-N 373.250 3.810 0 40 FHAB Cc1sc2ncc(C(=O)Nc3cccc(Cl)c3Cl)c(=O)n2c1C 182231144 LKKHUCKGZAIJHJ-UHFFFAOYSA-N 368.245 3.932 0 40 FHAB Cc1cccc(CN2CCCC[C@H]2c2cc(O)nc(-c3ccccn3)n2)n1 72390513 RAIKHTGHAKEPMM-IBGZPJMESA-N 361.449 3.675 0 40 FHAB CCc1ccc(OCCNC(=O)[C@@H](CC)Oc2ccccc2OC)cc1 224614095 BJXPFAYLTKPJLI-GOSISDBHSA-N 357.450 3.610 0 40 FHAB CO[C@H](CNC(=O)c1ccc(C(F)(F)F)nc1)c1ccc(Cl)s1 225705299 YDRNFCGZIIJHAL-SECBINFHSA-N 364.776 3.933 0 40 FHAB O=C(c1ccco1)N1CCN(c2ccc(-n3cccc3)cc2Cl)CC1 226245232 MRSYTAXIXRUCRM-UHFFFAOYSA-N 355.825 3.686 0 40 FHAB CN(c1ccccc1Br)S(=O)(=O)c1ccc(Cl)cc1 224705786 WTEFUIFWSRPKEE-UHFFFAOYSA-N 360.660 3.928 0 40 FHAB CCOC(=O)[C@H]1CC(=O)N(c2cccc(-c3nc4ccccc4s3)c2)C1 45958764 IDDSNOWLLSFHNT-AWEZNQCLSA-N 366.442 3.879 0 40 FHAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nc4ccccc4s3)cc2)C1 45958787 JSUOBIGESZVERZ-CQSZACIVSA-N 366.442 3.879 0 40 FHAB CC(=O)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 42629560 JSEPMXWOGKPBKU-ZDUSSCGKSA-N 357.793 3.501 0 40 FHAB Cc1nc([C@H]2CCCN(CCOc3cccc(C(=O)O)c3)C2)sc1C 574762997 DQPNBJLRRYVXIO-INIZCTEOSA-N 360.479 3.717 0 40 FHAB COc1cccc(O[C@H](Cc2ccc(Br)cc2)C(=O)O)c1 225066283 AOGVPJUQWQAFIG-OAHLLOKOSA-N 351.196 3.532 0 40 FHAB C[C@@H]1OCC[C@@]12CN(C(=O)Nc1cccnc1-c1ccccc1)C[C@@H](C)O2 333371522 ZOSBJJJRRIMVBU-VWKPWSFCSA-N 367.449 3.549 0 40 FHAB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(CCCn1ccnc1)CO3 95481181 ALXQHMHAIAXYSP-UHFFFAOYSA-N 373.840 3.502 0 40 FHAB O=C(N1CCN2CCOc3cccc1c32)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 536522329 MGPXONDQEJWWKJ-VKFLQFAXSA-N 356.441 3.541 0 40 FHAB Cc1cc(C)cc(OCC(=O)NCc2nc(-c3ccccc3Cl)no2)c1 95482266 JHXWOKZEIPQZHW-UHFFFAOYSA-N 371.824 3.702 0 40 FHAB CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2nc3ccccc3n2C)cc1 1597281225 OOJVZXPTIQTKFU-GFCCVEGCSA-N 368.462 3.651 0 40 FHAB O=C1CC[C@@H](NC(=O)C2(Cc3cccc(F)c3)CCCCC2)C2(CCC2)N1 585083171 CKAIRCIRVSAGBQ-GOSISDBHSA-N 372.484 3.636 0 40 FHAB Cc1nc(CCN(C)C(=O)c2cccc(Oc3ccc(Cl)cc3)n2)no1 585082083 AGCQCTPKWZFEMI-UHFFFAOYSA-N 372.812 3.533 0 40 FHAB Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(Cc2ccoc2)C3)n1 96065127 KLVAJBFEZJYYIM-NHCUHLMSSA-N 356.466 3.571 0 40 FHAB Cc1nc(COC[C@@H]2CN(Cc3sccc3C)Cc3cncn32)cs1 248038910 OGEKYLZNBZCDMW-KRWDZBQOSA-N 374.535 3.792 0 40 FHAB CC1CCC(NC(=O)[C@@H]2[C@@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@H]32)CC1 248007932 WMFQZJOXVFTIGJ-HGVUSPJCSA-N 353.462 3.742 0 40 FHAB CNc1cncc([C@@H]2CCCN2C(=O)c2cc(C3CCCCC3)no2)n1 257226966 FNAMJDOXWLOAFD-INIZCTEOSA-N 355.442 3.531 0 40 FHAB O=C(c1cccnn1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257263325 LPHZHQBBXCILIF-SFHVURJKSA-N 366.396 3.562 0 40 FHAB CC1(C)C[C@H](CC(=O)N[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)C(=O)O1 257367419 OSNAZHAXKSTPIM-NIMBFUQJSA-N 355.478 3.807 0 40 FHAB Cc1cnc(C(=O)N2CCC[C@H](Cc3cccc4cccnc34)CC2)cn1 257320712 VYEXBPTZHFJITO-KRWDZBQOSA-N 360.461 3.818 0 40 FHAB O=C(c1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1)N1CCCCC1 260659307 WUAKLUBTVUUSBL-QILLFSRXSA-N 357.523 3.788 0 40 FHAB C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)Nc1ccc2c(c1)C(=O)NCC2 680908954 VQDRZTPZXJHTRV-VBKZILBWSA-N 363.461 3.808 0 40 FHAB CCN(CC)c1ccc(C(=O)Nc2nnc(-c3ccncc3)s2)cc1 1319247000 XRWZCLQZYBPIMF-UHFFFAOYSA-N 353.451 3.699 0 40 FHAB Cc1ccoc1C(=O)N1Cc2cccn2C[C@@H](CCNc2ccccn2)C1 585095544 VXLCIYOUVYTVFT-QGZVFWFLSA-N 364.449 3.559 0 40 FHAB CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1nccc2ccccc12 65489090 LBMPNIPJMVSCAL-UHFFFAOYSA-N 353.809 3.599 0 40 FHAB CC(C)c1ccc(C(=O)OCC(=O)Nc2cc(C(C)(C)C)no2)c(O)c1 62436513 WWJCRHARMGPFIO-UHFFFAOYSA-N 360.410 3.597 0 40 FHAB O=C([C@H]1CC=CCC1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 85471729 HABFMYDHBSTXNB-ZDUSSCGKSA-N 354.372 3.827 0 40 FHAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)Cc2cccnc2)N1c1ccc(F)cc1 1615161463 YLCCYKSBNRZOHM-PMACEKPBSA-N 367.468 3.812 0 40 FHAB O=C(CCn1c(C(F)(F)F)cc2cccnc21)NCc1cccs1 12089722 BMVWAAHZSSHXSA-UHFFFAOYSA-N 353.369 3.823 0 40 FHAB Cc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c1 15591482 IJMJGIFWCOKQMW-UHFFFAOYSA-N 372.490 3.649 0 40 FHAB O=C1CCSc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2N1 15728383 ZTDKBVDTJRAFHB-UHFFFAOYSA-N 368.867 3.575 0 40 FHAB Fc1ccccc1CN1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 19348997 WKVXUUXKSDMWMC-CYBMUJFWSA-N 361.371 3.581 0 40 FHAB Cc1c(Cl)cccc1NC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 3436495 GQOMRHGWXHFDQX-SOFGYWHQSA-N 373.792 3.572 0 40 FHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1cccc2ccccc12 7170204 KQAHHFYKSJBVJE-OAHLLOKOSA-N 360.413 3.983 0 40 FHAB Cc1cc(OCC(=O)Nc2ccc(N3CCCCC3)c3ccncc23)no1 12534220 UELDMOITFKUUGB-UHFFFAOYSA-N 366.421 3.539 0 40 FHAB COc1ccccc1N1CCN(C(=O)CCSc2ccccc2)CC1 8306762 WESSCNGGSLCREY-UHFFFAOYSA-N 356.491 3.526 0 40 FHAB Cc1cccc(OCC(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)c1 5099296 MYXZODSLZFIKIC-UHFFFAOYSA-N 364.445 3.702 0 40 FHAB Cc1ccc2nc(N3CCN(C(=O)c4cccc(F)c4)CC3)sc2c1 5180884 WMUFNOYIWFTAQO-UHFFFAOYSA-N 355.438 3.706 0 40 FHAB Nc1nc2c(s1)[C@@H](c1cccc(OCc3ccccc3)c1)CC(=O)N2 12376557 LERPZRBSKKNPOP-OAHLLOKOSA-N 351.431 3.778 0 40 FHAB O=C(NCc1ccc2nc[nH]c2c1)c1ccccc1C(=O)c1ccccc1 575616706 MBYWGEWSEINRPC-UHFFFAOYSA-N 355.397 3.724 0 40 FHAB COc1cc(C(=O)NC[C@@H](C)c2ccccc2)cc(Br)c1O 40160123 BOEOJXOPCQWPMO-LLVKDONJSA-N 364.239 3.697 0 40 FHAB COc1ccc(CNC(=O)c2c(Cl)c3ccccc3n2C)cc1OC 40143454 LCBFLBGRVWJSFS-UHFFFAOYSA-N 358.825 3.779 0 40 FHAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cccnc1SC(F)F 32744896 CKXGZJADMWOSOE-UHFFFAOYSA-N 363.389 3.775 0 40 FHAB COc1cccc(O[C@@H](C)C(=O)Nc2cccc(C(=O)OC(C)C)c2)c1 41285657 IBUNXTXFUBJZNI-AWEZNQCLSA-N 357.406 3.666 0 40 FHAB COc1cc(C)c(N[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1OC 22507951 KNPPYBNYWAVBHQ-ZDUSSCGKSA-N 356.422 3.654 0 40 FHAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H]2CCCO2)cc1 23076663 CNWZBMWBMYTOOB-LJQANCHMSA-N 361.445 3.757 0 40 FHAB C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC1CCCCCC1 47721680 MMXKPHVULJVIOK-NSHDSACASA-N 357.281 3.951 0 40 FHAB Cc1ccc(C(=O)C2CCN(C(=O)c3cccc4cn[nH]c34)CC2)c(C)c1 24456500 MCHGEEXODWTBOK-UHFFFAOYSA-N 361.445 3.915 0 40 FHAB O=C(NC1CCCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 918402 FWUPLTAZNRDTFG-RISCZKNCSA-N 368.359 3.809 0 40 FHAB Brc1c(CSc2nc3ccccc3o2)nc2ncccn12 940863 FEKHUEMNHTTWIG-UHFFFAOYSA-N 361.224 3.925 0 40 FHAB CCc1noc([C@H](C)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)n1 106138442 CZLBUCYMUOESFU-LBPRGKRZSA-N 369.296 3.818 0 40 FHAB O=C(CCCOc1ccc(F)cc1)N(CC(F)(F)F)[C@H]1CCCOC1 79069976 AUQQWSXPNOCRNS-AWEZNQCLSA-N 363.351 3.555 0 40 FHAB O=C1CS[C@@H](c2ccccc2)C(=O)N1c1ccc(Br)cc1 1400571 ORZRXERNZPGWRS-HNNXBMFYSA-N 362.248 3.797 0 40 FHAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)c(Cl)c2)n2ncnc2N1 4342119 BWIFPQXRNSGBCO-AWEZNQCLSA-N 367.236 3.825 0 40 FHAB Cc1cnc(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cn1 25409062 ZXRQIRTZVBNTJA-SFHVURJKSA-N 356.429 3.828 0 40 FHAB CNC(=O)Oc1cc2ccccc2cc1C(=O)Nc1ccc(OC)cc1 4795826 HTWITEIDVNBZDP-UHFFFAOYSA-N 350.374 3.819 0 40 FHAB CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(C(C)C)cc2)C1=O 6648295 IITZATYRJMKZBH-WJDWOHSUSA-N 360.479 3.763 0 40 FHAB COc1ccc(NC(=O)c2ccc(Cn3nnc4ccccc43)cc2)cc1 7071532 KCCSWRIYPHIXMO-UHFFFAOYSA-N 358.401 3.741 0 40 FHAB COc1ccc(C(=O)Sc2nnc(-c3ccc(OC)cc3OC)o2)cc1 7939508 WMFHLGRQMVTRJG-UHFFFAOYSA-N 372.402 3.695 0 40 FHAB CCc1ccc(-n2c(S[C@H](C)C(=O)OC)nc3ccccc3c2=O)cc1 8133741 FRMRZAXHOAPXFU-CYBMUJFWSA-N 368.458 3.602 0 40 FHAB CCOc1ccc(CNCCc2ccc(OC)c(OC)c2)cc1OCC 8324875 WGGJUDLXPWBJSP-UHFFFAOYSA-N 359.466 3.834 0 40 FHAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCCc2ccccc21 58029086 WFVLAIWJBGGWEE-IBGZPJMESA-N 351.450 3.812 0 40 FHAB COc1ccc(OC[C@H]2[C@@H]3CC[C@H](C3)N2C(=O)c2sc(C)nc2C)cc1 100113469 GLSHSTPPYBNSSP-RKVPGOIHSA-N 372.490 3.841 0 40 FHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1ccc(-n2cccn2)cc1 27541791 RMXAATIYJQJYQM-KRWDZBQOSA-N 358.449 3.646 0 40 FHAB O=C(Cc1c[nH]c2ccccc12)NC1(C(=O)NC2CCCC2)CCCCC1 2457461 AYPJKGLHCZRSNY-UHFFFAOYSA-N 367.493 3.588 0 40 FHAB CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1cccc(Cl)c1 2487079 XFBVGERHUQPXHL-HZMBPMFUSA-N 364.854 3.552 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(NC(=O)C3CC3)s2)c1 11414815 PNPLOXBVYXNGQC-LLVKDONJSA-N 374.462 3.605 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc3c(c2)Cc2ccccc2-3)on1 46277320 LGQIJVXCUWMQSX-CYBMUJFWSA-N 362.385 3.738 0 40 FHAB CCN1CCN(c2ccc(NC(=O)CCCc3cccs3)cc2)CC1 11872726 PVIUGSOVDGANKZ-UHFFFAOYSA-N 357.523 3.851 0 40 FHAB CC(C)c1nnc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)o1 60371436 XIBJVVSOGKRRSC-UHFFFAOYSA-N 354.376 3.534 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)cc1 12111484 UVBKCLLDBYTYEF-UHFFFAOYSA-N 365.385 3.839 0 40 FHAB O=C(Nc1ccccc1F)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12389223 AXBXDKRPLFKTMN-HNNXBMFYSA-N 365.408 3.798 0 40 FHAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccc(F)cc3F)C2)nc1 47334506 CZMQFTDXWVLAOE-ZDUSSCGKSA-N 374.391 3.551 0 40 FHAB CC[C@H](C)Oc1cccc(NC(=O)NCC2(C(=O)N(C)C)CCCC2)c1 95959319 YSMLKQSDCJBMFG-HNNXBMFYSA-N 361.486 3.634 0 40 FHAB CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(-n2cncn2)nc1 95950612 IISJQULQAMKTTK-QGZVFWFLSA-N 365.437 3.582 0 40 FHAB c1ccc(-c2csc(CNCc3cccnc3N3CCOCC3)c2)cc1 48375442 APZLSEFWMVZTHP-UHFFFAOYSA-N 365.502 3.937 0 40 FHAB CS(=O)(=O)c1ccc(C(=O)Nc2cccc(OC3CCCC3)c2)cc1 12892145 HGEMFMMVSOHKMT-UHFFFAOYSA-N 359.447 3.664 0 40 FHAB CCOc1cc(C(=O)n2cccc/c2=N\C(C)C)cc(OCC)c1OCC 10798196 SFKAZMQVKRBCPQ-ZBJSNUHESA-N 372.465 3.682 0 40 FHAB COC(=O)c1c(COC(=O)c2ccc(C)c(O)c2)nc2ccccc2c1C 10981360 LZVIXYYYCZJUGT-UHFFFAOYSA-N 365.385 3.701 0 40 FHAB c1csc(-c2noc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)n2)c1 12915653 BJDJAODAGXGTDA-CQSZACIVSA-N 369.446 3.906 0 40 FHAB Cc1ccc(CN(C)CC(=O)Nc2cc(C)nn2-c2ccccc2)c(C)c1 12993747 JESCVTXUNLULDJ-UHFFFAOYSA-N 362.477 3.868 0 40 FHAB C[C@@H](c1cccc(O)c1)N(C)CC(=O)Nc1nc2ccc(F)cc2s1 84656219 QQOUNYZGGDGJLZ-NSHDSACASA-N 359.426 3.773 0 40 FHAB O=C(c1ccccc1)c1c(O)nc(-c2ccccc2)n(-c2ccccc2)c1=O 13108426 MKAIEPXFPFHYKF-UHFFFAOYSA-N 368.392 3.836 0 40 FHAB O=C(OCCCc1nc2ccccc2s1)[C@H]1CC(=O)N(C2CCCC2)C1 84603398 DEFXJCMEUKXGQN-AWEZNQCLSA-N 372.490 3.563 0 40 FHAB CN(Cc1ccc(OCc2cccs2)cc1)c1ncnc2[nH]cnc12 63992076 QQBFMODMXDQYET-UHFFFAOYSA-N 351.435 3.630 0 40 FHAB COCCNc1nc2sc3c(c2c2nc(-c4ccco4)nn12)CCCC3 13693644 INUDSNNECBKGBK-UHFFFAOYSA-N 369.450 3.536 0 40 FHAB Cc1ccc(SCCC(=O)Nc2cccc(-c3nnn[nH]3)c2)cc1C 9453829 DAUCOTCZFKYKEG-UHFFFAOYSA-N 353.451 3.604 0 40 FHAB COc1cccc(-n2c(-c3ccccc3)cnc2S[C@@H]2CCOC2=O)c1 5174883 WOMQCZKZXXPELP-GOSISDBHSA-N 366.442 3.956 0 40 FHAB Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)NCc3cccs3)n2)cc1 9451508 ABULMQYKDORIKH-LBPRGKRZSA-N 358.492 3.639 0 40 FHAB CC(C)CCNC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 5332719 VKPCYUAXSWFZPD-UHFFFAOYSA-N 362.474 3.674 0 40 FHAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(OC)c(OC)c1OC 14197800 XZZQSDOCKVBULR-CYBMUJFWSA-N 359.422 3.520 0 40 FHAB CCCn1c(SCC(=O)Nc2ccccc2F)nc2ccccc2c1=O 6432234 BBJXCIVMZLTMDN-UHFFFAOYSA-N 371.437 3.676 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1nnc(C(C)C)s1 14245034 PTLCOKDFFXBLEN-HNNXBMFYSA-N 356.451 3.564 0 40 FHAB COc1ccc(F)cc1C(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1 14247985 ZYJDCHMVOMGYMN-UHFFFAOYSA-N 370.468 3.916 0 40 FHAB O=S(=O)(Nc1ccc(Br)cc1F)c1ccc(F)c(F)c1 14255204 AGNFRPYKWUUYSY-UHFFFAOYSA-N 366.158 3.667 0 40 FHAB CCN(C(=O)CSc1nnc(C2CC2)n1C1CC1)c1ccc(F)cc1 5401712 RVQYFTXUPJHWPG-UHFFFAOYSA-N 360.458 3.775 0 40 FHAB COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC)cc2)CC(=O)O3)cc1 4629514 QLSGGDLKLNNBMQ-MRXNPFEDSA-N 350.374 3.535 0 40 FHAB COc1ccc(Nc2nnc(SCC(=O)OC(C)(C)C)s2)cc1 6831423 VJGFJDJMFHIFFC-UHFFFAOYSA-N 353.469 3.724 0 40 FHAB Cc1ccc(C(=O)OCC(=O)NCc2cccc(C(F)(F)F)c2)c(C)c1 67197975 QFDFEEBGWDZRBZ-UHFFFAOYSA-N 365.351 3.795 0 40 FHAB CN1C/C(=C/c2ccc3c(c2)OCO3)c2nc3ccccc3c(C(=O)O)c2C1 4949162 WZPFLPZHLBODBD-ZSOIEALJSA-N 374.396 3.648 0 40 FHAB COc1ccccc1CN(C)S(=O)(=O)c1cccc(C(F)(F)F)c1 5938517 PCIKMFLEWQZZMJ-UHFFFAOYSA-N 359.369 3.535 0 40 FHAB O=S(=O)(Nc1ccc2c(c1)OCCCO2)c1ccccc1C(F)(F)F 7054655 RICZDHMDPKKWCV-UHFFFAOYSA-N 373.352 3.668 0 40 FHAB COc1cccc(N2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)c1 7182763 KXMJFRIZIOFAQO-UHFFFAOYSA-N 370.518 3.988 0 40 FHAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCc1c(F)cccc1Cl 7477901 HKVUUPVCDHOPPQ-HNNXBMFYSA-N 353.777 3.570 0 40 FHAB O=C(CSc1nnc(C2CC2)n1C1CC1)N1CC[C@@H]2CCCC[C@@H]2C1 7551015 DQGKLAQKUICNNE-DZGCQCFKSA-N 360.527 3.621 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1ccc2ccc(=O)oc2c1 7634442 LPXPLMGNYIWITC-CYBMUJFWSA-N 353.374 3.516 0 40 FHAB Cc1c(C(=O)OCC(=O)NCc2ccccc2)oc2c(Cl)cccc12 7785489 CWPIUYCIIMPFGB-UHFFFAOYSA-N 357.793 3.868 0 40 FHAB CC(=O)c1ccc(N2CCN(c3ncnc4cc(Cl)ccc34)CC2)cc1 7989679 FXPGYXDKLCFUGH-UHFFFAOYSA-N 366.852 3.812 0 40 FHAB C[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)Nc1ccc2c(c1)OCO2 8234155 BCXVGXBSHZSRQY-LLVKDONJSA-N 369.402 3.585 0 40 FHAB CCc1cc2c(C)cc(=O)oc2cc1OC(=O)c1ccc(C(=O)OC)cc1 8266557 QPVJAIDVWDRYCU-UHFFFAOYSA-N 366.369 3.670 0 40 FHAB NC(=O)c1oc2ccccc2c1NC(=O)COc1cccc2ccccc12 8328733 LCWJFBCMENSUIE-UHFFFAOYSA-N 360.369 3.702 0 40 FHAB O=C(/C=C/c1cccs1)Nc1cc2c(cc1Br)OCCO2 8771936 NHAZHQNFRJKGBM-ONEGZZNKSA-N 366.236 3.934 0 40 FHAB Cc1c(C(=O)NC2CCCCC2)sc2nc3n(c(=O)c12)CCCCC3 8705644 YBYBRXIELODVBF-UHFFFAOYSA-N 359.495 3.555 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCCOc1ccc(C)cc1 18746468 GPFOWSZAYBVHJY-OAQYLSRUSA-N 365.429 3.881 0 40 FHAB COc1cccc(OC)c1C(=O)NCCOc1cccc(C(F)(F)F)c1 23142541 RRXYPUKZKOWYMO-UHFFFAOYSA-N 369.339 3.531 0 40 FHAB Cc1ccc(OC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)c(C)c1 8830974 ZACSXIPNRITLNY-UHFFFAOYSA-N 351.358 3.949 0 40 FHAB CC[C@@H](CCO)NC(=O)Nc1ccc(N2CCc3sccc3C2)cc1 97598054 GQYZEEKUOFTVFG-HNNXBMFYSA-N 359.495 3.593 0 40 FHAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCCC2)cc1 408679911 WPUBZYQZLVJZDN-UHFFFAOYSA-N 362.429 3.810 0 40 FHAB O=C1NC2(CCN(Cc3ccco3)CC2)c2nc(-c3ccccc3)sc21 306132790 LSDMZMZJMIZZNA-UHFFFAOYSA-N 365.458 3.638 0 40 FHAB CCOc1ccc(CNC(=O)[C@@H](C)Oc2ccccc2C)cc1OCC 20462264 CVTWNEPIGMILQT-MRXNPFEDSA-N 357.450 3.876 0 40 FHAB Cc1cc(Br)c(NC(=O)COC(=O)c2ccccc2)cc1C 409197800 PCVFUZACKGMEHB-UHFFFAOYSA-N 362.223 3.861 0 40 FHAB COc1ccc(-c2csc(CCNC(=O)c3ccccc3F)n2)cc1 31848783 RWYCCPBTLGWEBU-UHFFFAOYSA-N 356.422 3.930 0 40 FHAB Cc1ccccc1O[C@H](C)C(=O)NCCCN1CCCc2ccccc21 219291070 AQJPICXIGPUHGV-GOSISDBHSA-N 352.478 3.721 0 40 FHAB O=C(c1cccs1)N1CCC[C@@H](c2nnc(Cc3ccc(F)cc3)o2)C1 35596874 LNYHAWQRQVZUEQ-CQSZACIVSA-N 371.437 3.881 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(NC3CC3)nc2)cc1 72213817 KUEWRVFTXQEPFM-IBGZPJMESA-N 371.506 3.880 0 40 FHAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccccc3C)C2=O)o1 33398260 JKFREPSEXSKTFJ-OQLLNIDSSA-N 357.387 3.611 0 40 FHAB COc1ccc(S(=O)(=O)N(CCc2cccs2)C2CC2)cc1Cl 77184064 UMXNXGSRAVTSLQ-UHFFFAOYSA-N 371.911 3.806 0 40 FHAB C[C@@H]1C[C@@H](CC(=O)N2CCC[C@@H](c3nnc(S)n3C)C2)CC(C)(C)C1 195530114 IXDMPSMIAGWLKX-QLFBSQMISA-N 364.559 3.662 0 40 FHAB CC[C@](C)(OC)C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1 225602950 HARNXYQCPWWREI-UTKZUKDTSA-N 362.514 3.941 0 40 FHAB Cc1cc(C)c(S(=O)(=O)Nc2ncccc2C)cc1Br 48044584 FRGCHJQORMCCCD-UHFFFAOYSA-N 355.257 3.570 0 40 FHAB Cc1cc(C)nc(NC(=S)NCC2(c3ccc(F)cc3)CCOCC2)c1 224026761 LXCUXXMWJCHYPN-UHFFFAOYSA-N 373.497 3.872 0 40 FHAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(N2CCCC2=O)cc1 44947469 XTCSRQAQWMPEOQ-GOSISDBHSA-N 352.434 3.918 0 40 FHAB COc1ccccc1OC[C@@H](C)NC(=S)Nc1c(F)cccc1F 225786873 HPXDDSQZDDXQTA-LLVKDONJSA-N 352.406 3.727 0 40 FHAB c1cc(CN2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)cs1 96038267 DLSKBVAKOXZURL-UHFFFAOYSA-N 367.522 3.771 0 40 FHAB CN(Cc1nc[nH]n1)C(=O)N[C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 580164590 KARIIIFWMMLWAI-HOTGVXAUSA-N 361.877 3.716 0 40 FHAB Cn1cccc1CN1CCC2(CC1)CCN(C(=O)c1ccsc1)CC2 96158429 ORHKRKRCMMTVGV-UHFFFAOYSA-N 357.523 3.605 0 40 FHAB O=C(Cc1cccs1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 90607551 IWPAENZQUXYBDZ-UHFFFAOYSA-N 370.396 3.774 0 40 FHAB Cc1cccc(-n2nc(C(=O)O)c(N3CC[C@H](c4ccccc4)C3)n2)c1C 256048981 XLUWDMGEBOOCEZ-KRWDZBQOSA-N 362.433 3.576 0 40 FHAB CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2oc3ccc(F)cc3c2C)C1 267368816 FIFIXLHEXBMMPO-CDEUHXGRSA-N 351.443 3.690 0 40 FHAB COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CCC[C@H](N2CCCC2)C1 611661177 KINQZWWTAFJPFB-GUYCJALGSA-N 371.308 3.768 0 40 FHAB O=C(Nc1nc(C2CCNCC2)cs1)c1cccc(C(F)F)c1F 638333917 WAVCCALCNFTGME-UHFFFAOYSA-N 355.385 3.939 0 40 FHAB O=C1CN(Cc2cc3ccccc3[nH]2)CCN1Cc1ccc(Cl)cc1 684021567 PFMKWHGEKDCKFP-UHFFFAOYSA-N 353.853 3.666 0 40 FHAB C=CC(=O)Nc1ccc(C(=O)N2CCc3cccc(Br)c32)cc1 1287982834 KOBLDYNYUSFPCX-UHFFFAOYSA-N 371.234 3.777 0 40 FHAB Cc1cccc(NC[C@@H]2CCCN2C(=O)CCCOc2ccccc2C)n1 1328763370 XAUKJQURXPINBK-IBGZPJMESA-N 367.493 3.961 0 40 FHAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Br)cc1 5965422 GIBOWFLQUBZMAS-NSHDSACASA-N 350.212 3.864 0 40 FHAB O=c1oc2ccccc2n1[C@H]1CCCN(Cc2ccc3ccccc3n2)C1 12089300 LYZBRTARHFJLID-SFHVURJKSA-N 359.429 3.980 0 40 FHAB Cc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 12972571 RDTVDNWQOFVQRU-UHFFFAOYSA-N 371.396 3.648 0 40 FHAB CN(c1ccc(N2CCCC2)cc1)S(=O)(=O)Cc1cccc(Cl)c1 13668654 WHHHJLYRVHGEPC-UHFFFAOYSA-N 364.898 3.906 0 40 FHAB CCN(CC)Cc1ccc(CNC(=O)c2[nH]c3c(c2C)C(=O)CCC3)cc1 14199463 XKHGTVCQGKMCPM-UHFFFAOYSA-N 367.493 3.614 0 40 FHAB COc1cc2sc(NC(=O)C[C@H](C)n3cccn3)nc2cc1Cl 19455546 KNZFOLOHKVWAHH-VIFPVBQESA-N 350.831 3.745 0 40 FHAB CCN1CCC[C@@H]1CN(Cc1ccncc1)Cc1cccc(OC)c1OC 19527217 PFOCQSACHCROIP-HXUWFJFHSA-N 369.509 3.585 0 40 FHAB CCc1ccccc1O[C@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1 19933368 TULZSWFXJAIVKN-OAHLLOKOSA-N 357.450 3.692 0 40 FHAB COc1cccc(C2=N/C(=C\c3ccccc3Br)C(=O)O2)c1 5703140 SPPISZVLJDNGIH-GDNBJRDFSA-N 358.191 3.802 0 40 FHAB CCOC(=O)c1sc2nc([C@H](C)Nc3ccccc3)[nH]c(=O)c2c1C 7002402 NCHRUONLLRIOKM-NSHDSACASA-N 357.435 3.643 0 40 FHAB Cc1cc(C(=O)Nc2ccc(Br)cc2F)nc(C2CC2)n1 1888860545 XTMFLXYNTCZLCS-UHFFFAOYSA-N 350.191 3.816 0 40 FHAB CCCC(=O)Nc1nnc(SCC(=O)Nc2cccc(C)c2C)s1 1381631 UPIOGMYRKJPAGR-UHFFFAOYSA-N 364.496 3.624 0 40 FHAB COc1ccc(-c2nnc(NC(=O)c3ccc(Br)cc3)o2)cc1 3073302 OJKXKZWSIYTSFP-UHFFFAOYSA-N 374.194 3.760 0 40 FHAB O=C(CSc1ccc(-c2ccncc2)nn1)Nc1ccc(F)cc1F 4392033 XXFBHFDPMWCMDI-UHFFFAOYSA-N 358.373 3.548 0 40 FHAB CCOCC(=O)Nc1c(C(=O)Nc2cccc(OC)c2)oc2ccccc12 5035330 LXKMMHBFUCUWQN-UHFFFAOYSA-N 368.389 3.669 0 40 FHAB O=C1NC2=C(C(=O)N(CCC3=CCCCC3)C2)[C@@H](c2ccc(Cl)cc2)N1 11665608 XSHMHNRSLPPJCW-GOSISDBHSA-N 371.868 3.681 0 40 FHAB COc1ccc(-c2cn3c(C(=O)NCc4ccco4)csc3n2)cc1 11902214 NMCIJHKFUSDUQU-UHFFFAOYSA-N 353.403 3.594 0 40 FHAB O=C(Cc1ccccc1Cl)Nc1ccc(-c2ccc3nncn3n2)cc1 13953008 KWBCRDPGKNJHMZ-UHFFFAOYSA-N 363.808 3.626 0 40 FHAB O=C(NC[C@H](c1ccsc1)N1CCOCC1)Nc1cccc(Cl)c1 20950398 KBSJYDHFIFJSTN-MRXNPFEDSA-N 365.886 3.597 0 40 FHAB O=C(c1csc(Nc2ccccc2)n1)N1CCN(c2ccccc2)CC1 23136742 AMMSEOXBCWZGEA-UHFFFAOYSA-N 364.474 3.849 0 40 FHAB Cc1nc(-c2ccc(CNC(=O)c3ccc([S@@](C)=O)cc3)cc2)cs1 40005059 NEEOGJJEXCMXJH-VWLOTQADSA-N 370.499 3.786 0 40 FHAB COc1cccc(CN(C)CCC(=O)Nc2ccc3c(c2)CCC3)c1OC 40025007 HQYXWIMGHQWQAU-UHFFFAOYSA-N 368.477 3.653 0 40 FHAB CSc1cccc(N2C[C@H](C(=O)N3c4ccccc4C[C@H]3C)CC2=O)c1 32975229 BNAVEGDWCGYKML-GDBMZVCRSA-N 366.486 3.739 0 40 FHAB COc1ccc(CNC(=O)c2cnc3ccccc3c2C(F)(F)F)cn1 32908493 GFQYAFVCHAKMKE-UHFFFAOYSA-N 361.323 3.587 0 40 FHAB CCC(=O)NCCN1C(=O)S/C(=C/c2ccc(C(C)(C)C)cc2)C1=O 33466924 RRELBNUDUCPBNK-NTCAYCPXSA-N 360.479 3.547 0 40 FHAB CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C)cc1 641209 ZAYSNXWURNHGBM-LJQANCHMSA-N 365.433 3.660 0 40 FHAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cn(CC)c3ccccc23)C1=O 981101 BOYACLVUZWFOBS-YUSFRKCESA-N 372.446 3.649 0 40 FHAB Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1cccnc1 1291464 FBJHCBOQORTNGR-UHFFFAOYSA-N 352.250 3.653 0 40 FHAB COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)Oc1ccccc1 2317564 JIILACLXESEYLN-UHFFFAOYSA-N 370.361 3.583 0 40 FHAB COc1cccc(-n2ccnc2SCC(=O)Nc2ccc(F)cc2)c1 2723124 IXRZOPFGNFTEPQ-UHFFFAOYSA-N 357.410 3.751 0 40 FHAB O=C(O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)N1CCCCC1 3175648 DDPRLBDMKCWXIA-JSRAGOMMSA-N 361.441 3.607 0 40 FHAB O=C(OCCN1CCCC1=O)c1sc2cc(Cl)ccc2c1Cl 3299492 WGGXOQOYSMVIQC-UHFFFAOYSA-N 358.246 3.987 0 40 FHAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3sccc3C)c2C)no1 3384352 JBFNOYFLUQKDRT-UHFFFAOYSA-N 358.419 3.800 0 40 FHAB Cc1ccc(CNC(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)cc1 3482193 QFEJTKGJDCCWEB-UHFFFAOYSA-N 374.440 3.505 0 40 FHAB COc1ccc(-n2nnnc2SCc2nc3ccccc3s2)cc1 3500749 HXTRKNMGFKVWDD-UHFFFAOYSA-N 355.448 3.573 0 40 FHAB CCOc1ccc([C@@H](CC(=O)O)NC(=O)[C@@H](CC)c2ccccc2)cc1 3624691 SQHAZDASRNOZBN-RBUKOAKNSA-N 355.434 3.911 0 40 FHAB CCOc1ccccc1C(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O 3911653 RXOKADVJEABJPY-UHFFFAOYSA-N 364.445 3.516 0 40 FHAB COc1cc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc(OC)c1OC 4173340 YGDHXJIUOOGWBP-RYUDHWBXSA-N 361.360 3.563 0 40 FHAB COc1ccc(CN(C)[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)cc1 5261974 YKVYEYFYNDRIIA-HRAATJIYSA-N 352.478 3.709 0 40 FHAB Cc1ccc(S(=O)(=O)NCCSCc2ccccc2Cl)cc1 5545627 XZRQVKLYRHCCRR-UHFFFAOYSA-N 355.912 3.860 0 40 FHAB Cc1cccc(COc2ccc(C=O)cc2I)c1 5755090 KDZUMFLEBGUKNT-UHFFFAOYSA-N 352.171 3.991 0 40 FHAB O=C(COc1ccccc1)NC(=S)Nc1ccc(Cl)cc1Cl 6575468 JUPFLRZPZJRHDS-UHFFFAOYSA-N 355.246 3.885 0 40 FHAB COc1ccc(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1 6590058 UIALUVPGDJGUTO-UHFFFAOYSA-N 356.422 3.972 0 40 FHAB COc1cccc(CNC(=O)COc2ccccc2Cc2ccccc2)c1 7007822 XCSZMRCMRBRRMT-UHFFFAOYSA-N 361.441 3.981 0 40 FHAB Cc1nnc(S[C@H](C)C(=O)NC2CCCCCC2)n1Cc1ccccc1 7362004 OECNJIJEORTTAK-OAHLLOKOSA-N 372.538 3.954 0 40 FHAB Cc1nc(-c2ccccc2)c(C(=O)NCc2ccc3c(c2)OCO3)s1 7753774 DYNIPGSGJLWQQY-UHFFFAOYSA-N 352.415 3.777 0 40 FHAB O=C(NCc1ccccc1CN1CCCCC1)c1ccc(-n2cccn2)cc1 7941445 BCLWVJVHZXTYIY-UHFFFAOYSA-N 374.488 3.788 0 40 FHAB Cc1[nH]c2ccc(C(=O)O[C@@H](C)C(=O)N(C)c3ccccc3)cc2c1C 7984945 LAUDHXVAXBTCKI-HNNXBMFYSA-N 350.418 3.993 0 40 FHAB NC(=O)c1ccc(NC(=O)Cc2csc(-c3cccc(Cl)c3)n2)cc1 8060765 VJOJFWVZHQGEDR-UHFFFAOYSA-N 371.849 3.744 0 40 FHAB COc1ccc(C(=O)CCC(=O)Nc2cccc3cccnc23)cc1OC 8075632 UZYWSEIBZIBYTG-UHFFFAOYSA-N 364.401 3.854 0 40 FHAB CCN(Cc1ccc(OC)c(F)c1)[C@@H](C)C(=O)Nc1ccccc1OC 8133634 VBYHMADNXNKWIS-AWEZNQCLSA-N 360.429 3.692 0 40 FHAB O=C(Cn1c(-c2cscn2)nc2ccccc21)N1CCc2ccccc2C1 8135763 FRSYPMOLWGHLOT-UHFFFAOYSA-N 374.469 3.745 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCCc2ccc(Cl)cc2)C1 8275719 CPPDAEYSTLDKGE-HNNXBMFYSA-N 366.889 3.646 0 40 FHAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3ccccc3)C(=O)[C@H]2C1 8472915 ACGCJARYJHVROS-AEFFLSMTSA-N 360.413 3.785 0 40 FHAB Cc1cccc(OC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)c1C 8674007 DMXSOHLDHLHRGP-UHFFFAOYSA-N 351.358 3.949 0 40 FHAB O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 8745551 QKOHYHBIUXQVGS-QGZVFWFLSA-N 359.429 3.726 0 40 FHAB COCCn1c([C@@H]2CC(=O)N(c3cccc(C)c3C)C2)nc2ccccc21 8845077 HTAYPSKLXLWFCY-QGZVFWFLSA-N 363.461 3.820 0 40 FHAB O=C(Nc1nnc(Cc2ccccc2)o1)c1ccc(Br)s1 8919896 DCGLHLPYTQAAJD-UHFFFAOYSA-N 364.224 3.737 0 40 FHAB Cc1cc(C(=O)N(Cc2cccnc2)c2nc3ccccc3s2)nn1C 9002412 XSMUZTACCUFSDD-UHFFFAOYSA-N 363.446 3.580 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)Oc2ccc(C(=O)c3ccccc3)cc2)no1 9315277 NPJHRFLGSGAQSU-CQSZACIVSA-N 350.374 3.620 0 40 FHAB Cc1nc(NC(=O)CCn2c(-c3cccs3)n[nH]c2=S)sc1C 9315782 SGKIUMUFSDJMFC-UHFFFAOYSA-N 365.509 3.771 0 40 FHAB C[C@H](NCc1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(F)(F)F)cc1 9884982 VZYOPRQPUORBGF-NSHDSACASA-N 366.339 3.551 0 40 FHAB CCOc1ccc([C@@H]2CCCN2CC(=O)NCc2ccc(C)c(F)c2)cc1 10131421 HVSNLCTWVJTWSK-NRFANRHFSA-N 370.468 3.986 0 40 FHAB Cc1cccc(CS(=O)(=O)NCCCc2ccc(OC(C)C)cc2)c1 10543376 KZXBJVMJNMGBAF-UHFFFAOYSA-N 361.507 3.834 0 40 FHAB COc1ccc2cc(C(=O)N3CCN(c4ccccc4)CC3)c(C)nc2c1 10741939 XQNZBHNCJFIZJK-UHFFFAOYSA-N 361.445 3.514 0 40 FHAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)OC)cc3)no2)cc1 11916985 QTBRXEDQXWEJTP-UHFFFAOYSA-N 366.373 3.779 0 40 FHAB Cn1cc(Cl)c(C(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)n1 12188166 WTZFABWVLBZVOE-OAHLLOKOSA-N 354.841 3.642 0 40 FHAB CN(C)[C@H](CNC(=O)c1ccccc1Br)c1ccsc1 12348935 RLTWOAUSZUVMSH-CQSZACIVSA-N 353.285 3.543 0 40 FHAB COc1ccc(C(=O)C2CCN(C(=O)c3ccc4ccccc4n3)CC2)cc1 12740257 MEDHKRLJBODFME-UHFFFAOYSA-N 374.440 3.979 0 40 FHAB Clc1ccc(-c2nc(CSc3nncn3Cc3ccco3)no2)cc1 12906315 CPBZZTQFTNCPCB-UHFFFAOYSA-N 373.825 3.915 0 40 FHAB Cc1cc(NC(=O)CCNC(=O)c2cccs2)ccc1Br 12975521 FQIZFNNMHGNDCM-UHFFFAOYSA-N 367.268 3.578 0 40 FHAB Cc1cc(NC(=O)CSc2nc(-c3ccco3)nc3ccccc23)no1 14108423 DKRWOWWDQMOLGJ-UHFFFAOYSA-N 366.402 3.917 0 40 FHAB CCN(CC)[C@H](CNC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccccc1 14185756 WCCJVCXXRKNSIM-GOSISDBHSA-N 355.482 3.647 0 40 FHAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccn(Cc2cccc3ccccc23)n1 17074125 DBJJINOPVJGJFX-OALUTQOASA-N 359.429 3.764 0 40 FHAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN3[C@@H]3CCSC3)cc2n1 19116828 YSBXKGHIUSIMLB-DGCLKSJQSA-N 356.417 3.699 0 40 FHAB CCCC(=O)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3nc(C)cc3N2)CC1 19501139 MCGFCBBCVLCOIM-UONOGXRCSA-N 358.408 3.518 0 40 FHAB CCCn1ncc(C(=O)NCCc2cn(C)c3ccc(Cl)cc23)c1C 19525902 GVIVSGAKRWMWRM-UHFFFAOYSA-N 358.873 3.719 0 40 FHAB CC(C)c1ccc(CCNC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 20050751 AVDJXBVRIRCCID-UHFFFAOYSA-N 364.489 3.905 0 40 FHAB COc1ccc(CN(C)C(=O)CSCc2ccc(F)cc2)cc1OC 20454201 QALXGJABNJOCMY-UHFFFAOYSA-N 363.454 3.735 0 40 FHAB Cc1ccnc(NC(=O)[C@H](c2ccccc2)N2Cc3ccccc3C2=O)c1 20531023 KUYDQJZRTJJWFO-FQEVSTJZSA-N 357.413 3.726 0 40 FHAB C[C@@H](OC(=O)COc1ccccc1-c1ccccc1)C(=O)NC(C)(C)C 21602552 UIIPTROUERWIDN-OAHLLOKOSA-N 355.434 3.579 0 40 FHAB COc1ccc(OC)c(CNC(=O)c2csc(-c3ccsc3)n2)c1 24837985 GACMEEIOBQZDNK-UHFFFAOYSA-N 360.460 3.819 0 40 FHAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 28195984 WNNSWTSKVVQBCD-UHFFFAOYSA-N 353.827 3.544 0 40 FHAB CCCCC1CCC(C(=O)Nc2cccc(NS(C)(=O)=O)c2)CC1 29024578 ZFDSUHHJBCEHSY-UHFFFAOYSA-N 352.500 3.993 0 40 FHAB COc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2F)N(C)C)cc1 30020085 RXKUFLLFMNJZTQ-QGZVFWFLSA-N 350.821 3.520 0 40 FHAB Cc1csc(=O)n1CCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 30778360 ZMCZQVKSVIDSQI-UHFFFAOYSA-N 364.776 3.919 0 40 FHAB Cc1cc(Cl)c(C)c(S(=O)(=O)NCCCOCC2CC2)c1Cl 31074361 LAPIBAVBXXVCSX-UHFFFAOYSA-N 366.310 3.705 0 40 FHAB CCc1ccccc1NC(=O)COc1ccc(Cl)cc1-n1cnnc1 32646726 SAKLUVAMFNQABW-UHFFFAOYSA-N 356.813 3.501 0 40 FHAB CC[C@@H](CNC(=O)c1cc(Br)ccc1Cl)N1CCCC1 32653735 RPAYFLLRASIJHS-LBPRGKRZSA-N 359.695 3.707 0 40 FHAB CC(C)[C@H](NC(=O)N(C)Cc1ccc(C(N)=O)cc1)c1ccc(Cl)cc1 32779726 FNBZTRNNHRTZSI-SFHVURJKSA-N 373.884 3.978 0 40 FHAB Cc1ccc(C)c(CS(=O)(=O)CC(=O)N[C@@H](C)CCCC(C)C)c1 32929625 MDBCJRUKYVGZSV-KRWDZBQOSA-N 353.528 3.549 0 40 FHAB COc1cccc(NC(=O)CN(C)C(=O)CCSc2ccc(C)cc2)c1 32966481 QSTDUZTVVMBFFF-UHFFFAOYSA-N 372.490 3.583 0 40 FHAB c1ccc(Cn2nnc3c(NC45CC6CC(CC(C6)C4)C5)ncnc32)cc1 35315921 OCPUOXRXXFESPN-UHFFFAOYSA-N 360.465 3.650 0 40 FHAB COc1cccc(Nc2c(-c3ccc4c(c3)OCO4)nc3cnccn23)c1 35616200 JUBMZQVZBHCPBG-UHFFFAOYSA-N 360.373 3.877 0 40 FHAB O=C(Nc1ccc2nsnc2c1)c1cc(-c2ccc(F)c(F)c2)on1 35671130 PZPJRLLCNNTYSE-UHFFFAOYSA-N 358.329 3.877 0 40 FHAB Cc1nc(C)n(C[C@H](O)CN2c3ccccc3Sc3ccccc32)n1 36629364 RUEMYGIURPKJER-OAHLLOKOSA-N 352.463 3.559 0 40 FHAB O=C(COc1ccccc1)N1CCc2nc(-c3ccccc3F)sc2C1 36752088 NGZJLODKXZUBDZ-UHFFFAOYSA-N 368.433 3.913 0 40 FHAB O=C(c1ccc(F)c(F)c1)N1CCC(c2nnc(-c3ccco3)o2)CC1 38670447 DRHLKNWQRSLLAQ-UHFFFAOYSA-N 359.332 3.628 0 40 FHAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCCN3CCCCCC3)cc2)C1 38772287 IGOHKKBDCHTTCO-FQEVSTJZSA-N 371.569 3.914 0 40 FHAB CC(C)(C)c1n[nH]c(SC[C@H](O)COc2cccc3ccccc23)n1 40034740 ZTOCDRYBXOBUQP-CQSZACIVSA-N 357.479 3.787 0 40 FHAB C[C@H]1C[C@@H](C)CN(CCCCNC(=O)N[C@@H]2CCOc3ccccc32)C1 43165589 KVVFCTWEPDRTQE-ZIFCJYIRSA-N 359.514 3.568 0 40 FHAB Cc1cc(-c2nc3ccccc3s2)ccc1N1C[C@H](C(=O)O)CC1=O 45886984 KNGZKGFIXDVKBU-CYBMUJFWSA-N 352.415 3.709 0 40 FHAB C[C@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 45988429 NMJFUISQLISYSU-LPHOPBHVSA-N 373.497 3.639 0 40 FHAB Cc1csc(CNC(=O)CCCOc2ccccc2Br)n1 48191151 WEMBORZWPLOGFT-UHFFFAOYSA-N 369.284 3.689 0 40 FHAB CC(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2F)c1 48354263 ILFNYLRFFVJXHO-UHFFFAOYSA-N 356.806 3.547 0 40 FHAB Cc1noc(C)c1CSCC(=O)NCc1cccc(COC(C)C)c1 49154492 NTLGCLWZFQLXHQ-UHFFFAOYSA-N 362.495 3.766 0 40 FHAB Fc1ccc(N2CCN(Cc3cc(Cl)cc4c3OCOC4)CC2)cc1 57286329 PRYBYASJPLUSMY-UHFFFAOYSA-N 362.832 3.668 0 40 FHAB COc1ccc(-c2cc(C(=O)N[C@H](C)c3ccccc3)n[nH]2)c(OC)c1 57477334 SVQRJMHXIZBOSR-CYBMUJFWSA-N 351.406 3.585 0 40 FHAB CC(C)c1ccc(O)c(C(=O)N2CCC(c3nnc4ccccn34)CC2)c1 58228911 FLLYMTPCFYRCOP-UHFFFAOYSA-N 364.449 3.578 0 40 FHAB COc1ccccc1[C@H](C)N(C)C(=O)c1cccc(N2CCCC2=O)c1 58691692 RBCQKOGTFQNMGN-HNNXBMFYSA-N 352.434 3.655 0 40 FHAB CCCOc1cc(/C=C2/N=C(c3cccc(OC)c3)OC2=O)ccc1OC 89960276 LBTQUJULIHBRDD-GZTJUZNOSA-N 367.401 3.837 0 40 FHAB CC(C)n1c2ccccc2c2c1cc(C(=O)N1CCCC1)n2C(=O)N(C)C 96146425 AHFFOIPDGHLUMM-UHFFFAOYSA-N 366.465 3.943 0 40 FHAB O[C@H](CNCc1ccc(Cl)c(Cl)c1)CN1CCc2ccccc2C1 96797773 UOJIHWBBJXSABY-QGZVFWFLSA-N 365.304 3.502 0 40 FHAB Cc1cc(C(=O)OCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(C)n1C1CC1 105888625 ZDFZWKPMBVHVHA-GRZALLJUSA-N 358.482 3.538 0 40 FHAB COc1ccccc1[C@@H](CNC(=O)[C@H]1C[C@H]2CC[C@H]1C2)N1CCCCC1 107135014 RMXACZLFLZOSLX-QGZVKYPTSA-N 356.510 3.775 0 40 FHAB CC(C)c1noc([C@@H](C)N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)n1 181300228 MVSURSMHYZPCHT-ZBFHGGJFSA-N 366.469 3.919 0 40 FHAB CCc1ccc([C@@H]2[C@@H](C(=O)O)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 218503690 YXAHSTPDEVDJBO-BRWVUGGUSA-N 364.850 3.543 0 40 FHAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccccc1 222825504 BNDSXJCSCQZUOF-OAHLLOKOSA-N 358.869 3.784 0 40 FHAB CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224648015 FDGALJZXUGLPPN-UHFFFAOYSA-N 369.870 3.881 0 40 FHAB COc1ccc(S(=O)(=O)N(C)c2cc(Cl)ccc2Cl)cc1F 225104772 OOORFUFFTTVXGX-UHFFFAOYSA-N 364.225 3.966 0 40 FHAB COc1ccc(NC(=S)N[C@H](C)COc2ccccc2C)c(OC)c1 225634833 DMTKGKIBWHGCJH-CQSZACIVSA-N 360.479 3.766 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)c1snnc1-c1ccc(Cl)cc1 225770455 FRUVTMSYPXGJGX-UHFFFAOYSA-N 359.794 3.840 0 40 FHAB C[C@@H]1CCCCN1c1cc(Cl)nc(NC(=S)NCc2ccco2)n1 225913879 KDHQXZTUNMWUGA-LLVKDONJSA-N 365.890 3.588 0 40 FHAB Cc1nn(CCNC(=O)c2cccc(N(C)C)c2)c(C)c1-c1ccccc1 238919882 SWTXDOXWTGGGKL-UHFFFAOYSA-N 362.477 3.663 0 40 FHAB O=C(NCc1cccs1)NC[C@@](O)(c1ccsc1)c1cccs1 253400793 LXCRLTWDTBXVOF-MRXNPFEDSA-N 364.517 3.606 0 40 FHAB CCc1ccccc1-n1nc(C(=O)O)c(N(CC)Cc2ccccc2)n1 256047361 MBZNQUQVCUYCGT-UHFFFAOYSA-N 350.422 3.554 0 40 FHAB CCCn1nccc1-c1cnc([C@H]2CCCN(C(=O)C(C)(C)C)C2)cn1 257240999 HWEYTFDJNJMJDH-HNNXBMFYSA-N 355.486 3.502 0 40 FHAB Cc1ccc(F)cc1C1(c2noc([C@H]3COCCN3C3CCCC3)n2)CC1 329634594 XPNYCBRMUYZDNT-GOSISDBHSA-N 371.456 3.913 0 40 FHAB CC(C)(C)[C@@H]1CCc2sc(C(=O)NCc3nc(CO)cs3)cc2C1 331795717 KUMSXVZWWLIGAW-GFCCVEGCSA-N 364.536 3.778 0 40 FHAB CCOc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)cc1 408708195 VUDYLGYMXIVWNE-UHFFFAOYSA-N 367.232 3.647 0 40 FHAB COCCCN1C(=O)S/C(=C/c2ccc(Br)cc2)C1=O 409228468 AMBAYEHGOFHIQY-FMIVXFBMSA-N 356.241 3.522 0 40 FHAB Cc1cc(C)cc(N([C@H](C)C(=O)Nc2cccc(C)c2C)S(C)(=O)=O)c1 409381486 MQRVRRBBKCSCOG-QGZVFWFLSA-N 374.506 3.713 0 40 FHAB Brc1cnn(CCCCN[C@@H]2CCCNc3ccccc32)c1 530365418 KXQLMYGBTDGLPE-QGZVFWFLSA-N 363.303 3.962 0 40 FHAB CCOc1ccc(C(=O)NC[C@H](c2cc3ccccc3o2)N(C)C)cc1 575621110 NNYXCASKMIVYQY-GOSISDBHSA-N 352.434 3.864 0 40 FHAB COc1cccc([C@@H](C(=O)O)N2CC[C@@H](Oc3ccccc3Cl)C2)c1 634691692 MNSMBQIODOKYFI-QAPCUYQASA-N 361.825 3.628 0 40 FHAB C[C@H]1CN(C(=O)c2cc(C(F)(F)F)nn2C)CCc2ccc(Cl)cc21 650526492 WDNYGWIPYXRSRV-JTQLQIEISA-N 371.790 3.894 0 40 FHAB CCc1nc([C@@H]2CCCCN2C(=O)c2cc3c(OC)ccc(F)c3[nH]2)no1 684445820 BYLXSKHCBQMQCW-AWEZNQCLSA-N 372.400 3.628 0 40 FHAB C=CC(=O)Nc1cc(NC(=O)C2=Cc3cc(C)ccc3OC2)ccc1F 1545272871 SGJOGSSCPOCXRI-UHFFFAOYSA-N 352.365 3.673 0 40 FHAB COC(=O)c1ccc2c(c1)CN(C(=O)Nc1ccc(C(C)(C)C)nc1)C2 1627989139 FWHODWNMYSHCFP-UHFFFAOYSA-N 353.422 3.713 0 40 FHAB COCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)c3ccccc3)n2)cc1 1776006341 RQWREJNCICRRGI-ZDUSSCGKSA-N 353.447 3.982 0 40 FHAB O=C(NCc1ccc(F)cc1)N1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1776009801 RMBRMNQBKZRGDN-HOTGVXAUSA-N 362.836 3.753 0 40 FHAB Cc1nc(C)c(CN2CC[C@@H](Oc3ccncc3Br)C2)s1 1888844235 IASLYPQMIFHCBA-GFCCVEGCSA-N 368.300 3.571 0 40 FHAB CC(=O)c1ccc(N2C(=O)N(CC(C)C)c3ccccc3S2(=O)=O)cc1 1889022031 OYXLGMISUKTHAX-UHFFFAOYSA-N 372.446 3.681 0 40 FHAB Cc1ccsc1CN1CCC[C@]2(CC1)CC(=O)NCc1ccccc1N2 2037978095 AKXCQJZBUOUVNC-NRFANRHFSA-N 369.534 3.913 0 40 FHAB COc1cc(C=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 937862 VSIJZXLRQNIGBB-UHFFFAOYSA-N 354.189 3.832 0 40 FHAB CC(=O)N(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)c1ccccc1 991300 LSPBIDDMCJGFIX-UHFFFAOYSA-N 363.200 3.600 0 40 FHAB O=C(COc1ncnc2sccc12)Nc1ccccc1C(F)(F)F 2617872 UYNLQRCEYHNOAZ-UHFFFAOYSA-N 353.325 3.728 0 40 FHAB COc1ccc(NC(=O)COc2ccc(Cl)cc2Br)cn1 2630653 CNDQEHZEDMTXRO-UHFFFAOYSA-N 371.618 3.524 0 40 FHAB O=C(/C=C/c1ccc(Br)cc1)N1CCN(c2ccccc2)CC1 2737507 LJPDHJYLBUWOCE-DHZHZOJOSA-N 371.278 3.811 0 40 FHAB Cc1ccc(Oc2ccc(OCC(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 3174732 IVALCPPALQFSIU-IRXDYDNUSA-N 355.434 3.802 0 40 FHAB CCN(CC)c1ccc(C(=O)OCC(=O)Nc2cccc(C)c2C)cc1 3226245 YBOKPDRZIACAFO-UHFFFAOYSA-N 354.450 3.945 0 40 FHAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2c(OC)cccc2OC)cc1 3429990 ABJLQBPNVQRKJI-CYBMUJFWSA-N 358.390 3.531 0 40 FHAB Cc1ccc2cc(CCNC(=O)c3c(F)cccc3Cl)c(=O)[nH]c2c1 3911707 IAIQZUGGXZLLDI-UHFFFAOYSA-N 358.800 3.602 0 40 FHAB Cc1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)sc2nc(-c3ccccc3)cn12 4003589 FBZLESXIWIWSTG-CHWSQXEVSA-N 355.463 3.621 0 40 FHAB Cc1ccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@@H](c3ccco3)C2)cc1 4247969 JZRWKFBXUGFALT-HXUWFJFHSA-N 365.477 3.998 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c1C 4548101 NZQHSYLHGSYHSM-UHFFFAOYSA-N 357.450 3.776 0 40 FHAB N=C1NC(=O)[C@H](CC(=O)Nc2ccc(-c3ccc(Cl)cc3)cc2)S1 4575062 JLFSSVSGRHMXHI-AWEZNQCLSA-N 359.838 3.502 0 40 FHAB O=C(c1cccs1)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F 5015762 WJFUZIUWDZHJLU-CQSZACIVSA-N 374.771 3.903 0 40 FHAB COc1ccc(CN(C)[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1 5262216 BKROSFSZHHPGHW-CYBMUJFWSA-N 362.857 3.816 0 40 FHAB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)c1ccc[nH]1 6229426 YLTAMTXVTIXFTJ-UHFFFAOYSA-N 364.430 3.890 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)Cc1cccc(C(F)(F)F)c1 6261514 YAPTVLLWGXOEHA-UHFFFAOYSA-N 366.339 3.854 0 40 FHAB COC(=O)c1ccc(OCC(=O)N2CC[C@H](C)Sc3ccccc32)cc1 6404931 BQWYKEPNHTWTDA-AWEZNQCLSA-N 371.458 3.770 0 40 FHAB COCCn1c(SCc2nnc(-c3ccco3)o2)nc2ccccc21 6609840 PSVTYDBVILODCC-UHFFFAOYSA-N 356.407 3.618 0 40 FHAB Cc1cccc(C(=O)Nc2ncc(I)cc2C)c1 6631174 ABDRHNMRZNTGJU-UHFFFAOYSA-N 352.175 3.555 0 40 FHAB NC(=O)c1ccc(NC(=O)COc2ccc(Cl)c3ccccc23)cc1 6642980 QHXMCLVFWNKSTR-UHFFFAOYSA-N 354.793 3.610 0 40 FHAB Cc1ccc2c(COC(=O)COc3ccc(C)c(C)c3)cc(=O)oc2c1 6928817 AFFYBNODNRKRPL-UHFFFAOYSA-N 352.386 3.840 0 40 FHAB CC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 7055673 VPUUYTWCXKPPSJ-UHFFFAOYSA-N 373.430 3.732 0 40 FHAB C[C@H](C(=O)NCc1ccccc1)N(C)Cc1ccc(Br)cc1 7266105 BQTMQINIAFCRQP-CQSZACIVSA-N 361.283 3.586 0 40 FHAB O=c1c2c3c(sc2ncn1Cc1ccc(Br)cc1)CCC3 7383932 SQNICXFVMQAUMT-UHFFFAOYSA-N 361.264 3.758 0 40 FHAB COC(=O)c1cc(OC(=O)c2cccc3ccccc23)cc(C(=O)OC)c1 7814604 CBEYQNBLUNMAEU-UHFFFAOYSA-N 364.353 3.632 0 40 FHAB Cc1cccc(OCC(=O)NCc2ccc(CN3CCCC3)cc2)c1C 7923791 AVIAWSLWDYMJTO-UHFFFAOYSA-N 352.478 3.594 0 40 FHAB COc1ccc(NC(C)=O)cc1Nc1ncnc2sc3c(c12)CCC3 7984054 UXLJAAWTLKHMBI-UHFFFAOYSA-N 354.435 3.891 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1nc2ccccc2[nH]1 7988412 QWSGWMQWPUEUGW-UHFFFAOYSA-N 359.433 3.937 0 40 FHAB CC[C@H](CO)NCc1cc(Cl)c(OCc2cccs2)c(OC)c1 8327046 KGYHFJFKMHSEBH-CYBMUJFWSA-N 355.887 3.850 0 40 FHAB CC(=O)Nc1ccc(NC(=O)CCCc2nc(-c3cccs3)no2)cc1 9699758 SNKPRQWSSBHJNN-UHFFFAOYSA-N 370.434 3.718 0 40 FHAB COc1ccc(OCC(=O)O[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1 10356958 QBPOSYCLHUEFJM-XSXQVXRUSA-N 372.461 3.791 0 40 FHAB CC(C)(C)c1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)[nH]n1 12116518 IBSWCSZGKCHGOQ-AWEZNQCLSA-N 357.429 3.581 0 40 FHAB NC(=O)N[C@H](CC(=O)OCc1ccc(C(F)(F)F)cc1)c1cccs1 12170593 ZUFCYHPZAAFFDJ-GFCCVEGCSA-N 372.368 3.610 0 40 FHAB Cc1nn([C@@H](C)CC(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c(C)c1C 12192923 PCRSQEGFVVKPSV-ZDUSSCGKSA-N 369.444 3.782 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)N(Cc2cccnc2)Cc2ccco2)c1 12526797 ZHVNDRGJIFZFMR-UHFFFAOYSA-N 356.447 3.683 0 40 FHAB O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1)C1CC1 12605275 OTHJLYJSKITILA-UHFFFAOYSA-N 368.817 3.628 0 40 FHAB Cn1c(=O)n(CCC(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc21 12619339 XGOOSCJRJYGYAR-UHFFFAOYSA-N 364.232 3.676 0 40 FHAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1OC(F)F 12673607 DKKVNYNPBDDRPZ-UHFFFAOYSA-N 371.347 3.529 0 40 FHAB O=C(Cc1ccc(N2CCCC2=O)cc1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 12789877 FJSDBMGUOKUUFM-GUDVDZBRSA-N 354.494 3.831 0 40 FHAB COc1ccc(OC)c([C@@H]2c3cc4c(cc3O[C@](C)(OC)[C@H]2C)OCO4)c1 12857491 ZTEKYRBIKZVOMH-QDEDPJFRSA-N 372.417 3.956 0 40 FHAB O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccc(OC(F)(F)F)cc1 12905504 HTNYEZZPADHTFC-XBXARRHUSA-N 365.307 3.644 0 40 FHAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)NC[C@@H](C)c1ccccc1 12975701 TWCGPMJGHAIBTA-KGLIPLIRSA-N 370.522 3.891 0 40 FHAB C[C@H]1CCCN(c2ncnc3c2oc2nc4c(cc23)COC(C)(C)C4)C1 13135641 KJKRGRJHJNDBQM-LBPRGKRZSA-N 352.438 3.859 0 40 FHAB C[C@@H](NC(=O)c1cc(=O)[nH]c2ccc(Br)cc12)c1ccccc1 13523876 KODJKWCXORLBLC-LLVKDONJSA-N 371.234 3.782 0 40 FHAB COc1ccc(OC)c(NC(=O)COc2ccc(F)c3c2C(=O)C[C@H]3C)c1 14183002 URPXOUUFLBKSRS-LLVKDONJSA-N 373.380 3.550 0 40 FHAB Cc1cc(C(=O)CSc2nnc(N3CCC(C)CC3)n2C2CC2)c(C)[nH]1 14198714 XGKMBJIDNKAHHR-UHFFFAOYSA-N 373.526 3.769 0 40 FHAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2c(C)cc(C)cc2C)c1 14234069 BOAVQXCWVUERQT-HNNXBMFYSA-N 363.479 3.669 0 40 FHAB CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NC1CCCCCC1 14269834 QAMCVZPMYVQZCX-GOSISDBHSA-N 363.477 3.633 0 40 FHAB Cn1c(=O)n(CCC(=O)Oc2cc(Cl)ccc2Cl)c2ccccc21 14773026 WWVHUYPKLACAHB-UHFFFAOYSA-N 365.216 3.643 0 40 FHAB CCCOc1ccc(C(=O)[C@@H](CN2CCOCC2)c2ccccc2)cc1 19313983 WVAHEPZRTLCPMI-NRFANRHFSA-N 353.462 3.774 0 40 FHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@@H]4C[C@@H]4C)C3)cc2N1 19520788 IBDNXZBAMCWNDX-RLPMIEJPSA-N 370.419 3.553 0 40 FHAB CCN[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)CC(C)C)CC2)C1 19712747 VJOVILPLJIWFHC-PMACEKPBSA-N 358.526 3.924 0 40 FHAB Cc1ccc(CN2C(=O)[C@@]3(CC(O)=Nc4[nH]ncc43)c3ccccc32)cc1 20744491 ULEIFOXOQVGIFQ-NRFANRHFSA-N 358.401 3.543 0 40 FHAB Cc1cc(C)cc(OCC(=O)N2CCCC[C@H]2CCN2CCCCC2)c1 21170535 GAWKKSBVWSIBJP-FQEVSTJZSA-N 358.526 3.939 0 40 FHAB Cc1ccc(CC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1 24933682 JOQSYSMXEKQDNS-OAQYLSRUSA-N 359.473 3.976 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccccc1 25158433 WIFMLFUPUIMIPK-OAQYLSRUSA-N 350.462 3.936 0 40 FHAB CCCN(CC(=O)Nc1ccccc1C)C(=O)Cc1c[nH]c2ccccc12 31467075 LTUWEYNWBATCHZ-UHFFFAOYSA-N 363.461 3.896 0 40 FHAB CC(C)c1ccc2nc(-c3cccnc3)cc(C(=O)N3CCOCC3)c2c1 32089337 QPAXGJNQVXAOBC-UHFFFAOYSA-N 361.445 3.893 0 40 FHAB O=C(Nc1cccc(F)c1)[C@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 32103461 KABAEYZQENUYGH-MRXNPFEDSA-N 350.353 3.861 0 40 FHAB COc1ccc(CCN(C)C(=O)c2cc3cc(F)ccc3[nH]2)cc1OC 32759934 GTYRRAYUGNSLHU-UHFFFAOYSA-N 356.397 3.639 0 40 FHAB C[C@H](NC(=O)CCc1nc(-c2cccnc2)no1)c1ccc(Cl)cc1 32824618 NNNLDYBIANBXEG-LBPRGKRZSA-N 356.813 3.595 0 40 FHAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)c1cnn2cccnc12 32908892 FVRIBODIVUGJMN-UHFFFAOYSA-N 350.466 3.616 0 40 FHAB CC1CCN(C(=O)COC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)CC1 32945381 XAQBDKNPOQQVDF-HNNXBMFYSA-N 368.477 3.708 0 40 FHAB COc1ccc(OC)c([C@@H](O)CN2CCc3c([nH]c4ccccc34)[C@H]2C)c1 36743798 UNIQDOGKVALDTM-VLIAUNLRSA-N 366.461 3.838 0 40 FHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)Nc1ccccc1SCC(N)=O 40120428 PONBMSFKIGWTMF-IIAWOOMASA-N 363.527 3.846 0 40 FHAB COc1ccc(-c2nc(COC(=O)[C@@]3(C)CC3(Cl)Cl)co2)cc1 42684703 VSKRFKWBEHXUSV-OAHLLOKOSA-N 356.205 3.977 0 40 FHAB CCOc1ccc2c(c1)cc(C(=O)Nc1cccc(C(=O)OC)c1)n2C 46007424 JODWQZWGIORASD-UHFFFAOYSA-N 352.390 3.616 0 40 FHAB C[C@@H](NC(=O)C1CCN(C(=O)C(C)(C)C)CC1)C12CC3CC(CC(C3)C1)C2 46555292 YQZUVIIVRNNOGS-LRYXAPPNSA-N 374.569 3.992 0 40 FHAB CN(C)c1cc(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)ccn1 47090384 ABAJXHNWVRZFKG-UHFFFAOYSA-N 356.426 3.586 0 40 FHAB Fc1cccc(-c2nc(CN3CCC[C@H]3c3nnc4ccccn34)co2)c1 48280089 IANXIJXQGDMTSU-KRWDZBQOSA-N 363.396 3.861 0 40 FHAB COC(=O)c1c(NCCc2ccccc2)c2cccc(Cl)c2[nH]c1=O 49001591 WECAIYDJIVHGGO-UHFFFAOYSA-N 356.809 3.623 0 40 FHAB COC(=O)c1c(NCc2cccc(OC)c2)c2cccc(Cl)c2[nH]c1=O 49001601 ZOCLFNJBFMZWOL-UHFFFAOYSA-N 372.808 3.589 0 40 FHAB Cc1ccc(-n2nnc(C(=O)NCCc3ccc(Cl)cc3)c2C)cc1C 51318269 MYCDYDHTANEGLH-UHFFFAOYSA-N 368.868 3.818 0 40 FHAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1 55285950 FYIJBQYAFMSCPS-SNVBAGLBSA-N 364.854 3.567 0 40 FHAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3cnc(C(C)(C)C)nc3)c12 58407496 ICKQBBUVBIBTRJ-UHFFFAOYSA-N 351.410 3.748 0 40 FHAB C[C@@H](OC[C@@H]1CCCCO1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 58418611 XHVNMFZFUJMEHZ-WBVHZDCISA-N 372.465 3.508 0 40 FHAB O=C(O)c1cc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)c(F)cc1F 65512800 IHYMEMAGANNIDD-AATRIKPKSA-N 373.764 3.729 0 40 FHAB O=C(NC1CCCCC1)C1CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1 65523934 BFZQPAVNYZXKKG-LJQANCHMSA-N 364.917 3.534 0 40 FHAB Cn1c(-c2cc(C(F)(F)F)ccc2Cl)ccc1-c1nnc(S)n1N 67300030 QBEPARJMEIAGNN-UHFFFAOYSA-N 373.791 3.625 0 40 FHAB O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1c(F)cccc1Cl 70762249 XKGWAKDIBKBUNL-OAHLLOKOSA-N 361.722 3.659 0 40 FHAB CCn1c(CN(C)[C@@H](C)C(=O)NCC2CCCCC2)nc2ccccc21 72308270 HIPRHZCSQCLTQL-INIZCTEOSA-N 356.514 3.573 0 40 FHAB COC(=O)[C@]1(CC=C(C)C)C(=O)C[C@H]2CC[C@@H]1N2Cc1cccc(OC)c1 72341108 WBSLODQSNBEOIO-LZNRXBQRSA-N 371.477 3.517 0 40 FHAB Cc1ccc(CNC(=O)c2cc(-c3cc(Cl)c(C)cc3O)n[nH]2)cc1 72427462 ZPRDDKYJBKYTIH-UHFFFAOYSA-N 355.825 3.983 0 40 FHAB CCO[C@H]1C[C@H](NC(=O)Nc2nc(-c3cccnc3)cs2)C12CCC2 76068760 AVTAFOIAMTVHSF-GJZGRUSLSA-N 358.467 3.674 0 40 FHAB OC[C@H]1CSCCN1Cc1ccc(Oc2ccccc2F)c(F)c1 89821211 FEBASROZGGMOQN-AWEZNQCLSA-N 351.418 3.667 0 40 FHAB CCOC(=O)c1c(NC(=O)CNCc2ccccc2)sc2c1CCCC2 95351424 ABGRNVMBHOBVQT-UHFFFAOYSA-N 372.490 3.532 0 40 FHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)c1 95939133 DZHCMHHFHPDQNA-PXNSSMCTSA-N 371.481 3.550 0 40 FHAB CC(C)(C)c1ccc(C(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)cc1 96104367 DHPPOLLVIXGDJQ-UHFFFAOYSA-N 363.523 3.556 0 40 FHAB O=C(Nc1ccc2c(c1)C1(CCOCC1)CN2CC1CC1)c1ccco1 96243494 IGTJSLYEAUHQCS-UHFFFAOYSA-N 352.434 3.810 0 40 FHAB CC1=CC[C@@H]2C(=O)N(c3cccc(OC(=O)c4cccs4)c3)C(=O)[C@@H]2C1 100394225 DZPOPIBGIOUHAJ-JKSUJKDBSA-N 367.426 3.813 0 40 FHAB CC(=O)OC[C@@]12CO[C@H](c3ccc4c(c3)OCO4)[C@H](C(C)=C[C@H]1C)[C@@H]2C 100537418 OTAZKNLOTKUEQR-KGCBQIOCSA-N 358.434 3.884 0 40 FHAB C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@]4(C)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118914965 UUNZVNLAFCAUHR-DFYNNUPZSA-N 350.543 3.892 0 40 FHAB NC[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218646948 BRRGQCIVCSWALV-BZUAXINKSA-N 356.274 3.508 0 40 FHAB C[C@H](NC(=O)c1cn2c3c(cccc3c1=O)CC2)c1ccc(Cl)cc1 223093545 VJVYQQAVVIYNDS-LBPRGKRZSA-N 352.821 3.702 0 40 FHAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1 223779372 GISVRUKATYDQTI-RBUKOAKNSA-N 364.474 3.606 0 40 FHAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 224279733 QXLJOHCLOKQLGN-QGZVFWFLSA-N 370.468 3.558 0 40 FHAB Cc1cccc(OCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 224552711 WDPBYIWSFQPXOL-UHFFFAOYSA-N 370.468 3.541 0 40 FHAB Cn1c(=O)sc2cc(NC(=O)COc3ccccc3C(C)(C)C)ccc21 225066310 LUJYORRQVSWKQX-UHFFFAOYSA-N 370.474 3.915 0 40 FHAB Cc1cc(Br)cc(C)c1NC(=S)NCc1cccnc1 225193164 WYXZZCBMERPQGR-UHFFFAOYSA-N 350.285 3.948 0 40 FHAB COc1ccc2cc(S(=O)(=O)N[C@@H](C)COc3ccccc3)ccc2c1 225314685 NFTTZSQAIKBAOT-HNNXBMFYSA-N 371.458 3.594 0 40 FHAB CC[C@@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(OC)cc1 225488423 KTXRZMIRZQVROV-MRXNPFEDSA-N 358.463 3.904 0 40 FHAB CCOC(=O)c1cc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)ccc1OC 225831689 NSUSUDDBDMIZBG-VLIAUNLRSA-N 363.454 3.796 0 40 FHAB O=C(NCc1cccnc1-c1cccnc1)c1cc(Br)cs1 238849633 JDVCZSOXWXJNIP-UHFFFAOYSA-N 374.263 3.898 0 40 FHAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CC(Oc2cccnc2)C1 238938567 VTUZCPATGQTIRW-UHFFFAOYSA-N 371.396 3.793 0 40 FHAB CCCS(=O)(=O)CC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 331505867 KLHUPPUEAHHVGV-INIZCTEOSA-N 357.903 3.609 0 40 FHAB O=C(COc1ccccc1)NC(=S)Nc1cc(Cl)cc(Cl)c1O 408628033 PSAPYLVIKNTLJV-UHFFFAOYSA-N 371.245 3.591 0 40 FHAB CCCOc1ccc(N2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C)CC2=O)cc1 408707661 LLGIJSAFRWTNEQ-FCEWJHQRSA-N 358.482 3.523 0 40 FHAB CCOC(=O)N1N=C2CC[C@H](C(C)(C)CC)C[C@H]2[C@@]1(O)C(F)(F)F 409342619 GVWXPHVSTHJFDU-FIXISWKDSA-N 350.381 3.918 0 40 FHAB C[C@@H](NC(=O)NCc1noc2c1CCCC2)c1cc2cccc(F)c2o1 516886017 JKKJUPGHRCSZOU-LLVKDONJSA-N 357.385 3.999 0 40 FHAB O=C(c1cccc(Nc2ccccc2)c1)N1CCN(Cc2ccccn2)CC1 522793842 GTEYEXBAALPUOJ-UHFFFAOYSA-N 372.472 3.783 0 40 FHAB O=C(CCc1nc(COc2ccc3ccccc3c2)no1)NC1CCCC1 545642365 GCFDAXPJDXKVMH-UHFFFAOYSA-N 365.433 3.793 0 40 FHAB COc1nccc(NC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)n1 585080447 USBOKLUOUBMZJK-INIZCTEOSA-N 351.410 3.726 0 40 FHAB NC[C@@H]1CCCN(Cc2ncc(-c3ccc(F)cc3)o2)[C@@H]1C(F)(F)F 629582327 AFWHLAGPKZDQKI-LRDDRELGSA-N 357.351 3.582 0 40 FHAB CC(C)(C)c1ccc2[nH]c(C(=O)NCc3ccnc(-n4cccn4)c3)cc2c1 1290831747 BCICPXGWUYSPIB-UHFFFAOYSA-N 373.460 3.976 0 40 FHAB O=C(Cn1ccc2ccccc21)N[C@@H](c1cccs1)C1CCOCC1 1565523387 MOCSHVUOGZXPMP-HXUWFJFHSA-N 354.475 3.987 0 40 FHAB Cc1ccc(CN2C(=O)CC[C@]23CCCN(Cc2nccs2)CC3)cc1 1614946384 DZPINYZLFGQSQY-NRFANRHFSA-N 369.534 3.999 0 40 FHAB Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)c1[nH]cnc1C 1628583569 FBNYMMXRQJNXKJ-UHFFFAOYSA-N 363.396 3.972 0 40 FHAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)OCc1nc2ccccc2s1 24362587 HKZPVTKBRNAMPU-CQSZACIVSA-N 366.442 3.931 0 40 FHAB Cc1ccc2cc3c(N)c(C(=O)NC[C@@H]4CCCO4)sc3nc2c1C 1342923 TUYNBTVNMKCLRI-ZDUSSCGKSA-N 355.463 3.557 0 40 FHAB Cn1cc(CCCC(=O)NCCc2nc3ccccc3n2C)c2ccccc21 79487441 KKWIDJKBYUVFIG-UHFFFAOYSA-N 374.488 3.747 0 40 FHAB CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccoc1C 4860731 VKZQZKMMUZJCCN-UHFFFAOYSA-N 372.450 3.606 0 40 FHAB COc1ccc(C)cc1NC(=O)COCc1cc(-c2cccs2)on1 6876551 UTZHWCJUPIRMPW-UHFFFAOYSA-N 358.419 3.875 0 40 FHAB Cc1nnc(S/C(=C\c2c(OCC#N)ccc3ccccc23)C(=O)O)o1 7603833 ABSXCNIUXSHOEB-YBEGLDIGSA-N 367.386 3.651 0 40 FHAB CCn1cc(-c2cc(O)n3nc(-c4ccc(OC)cc4)c(C)c3n2)c(C)n1 100733036 VLVHRZAYQWQFAH-UHFFFAOYSA-N 363.421 3.611 0 40 FHAB O=C(NCCc1cn2ccccc2n1)N1CCC(Cc2ccccc2)CC1 26288571 IHTZUTJWICMZJY-UHFFFAOYSA-N 362.477 3.541 0 40 FHAB O=C(CN1CCCc2cc(F)c(F)cc21)Nc1ccc2c(c1)OCCCO2 26343434 HLRXXISRHRFUCZ-UHFFFAOYSA-N 374.387 3.517 0 40 FHAB COc1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c(OC)c1 57412214 KPIXHIHRZMNHIQ-UHFFFAOYSA-N 357.797 4.000 0 40 FHAB CC(C)CNC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C1CC1 8255876 VBVYEMLADYGKGR-NSHDSACASA-N 350.513 3.594 0 40 FHAB Cc1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)c(C)c2)c1 8414262 MDSPSBMJONUSDK-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 8571317 BRNDDFCMBUGXNY-MHWRWJLKSA-N 370.405 3.809 0 40 FHAB CCOc1ccc(NC(=O)CSc2ccc(-c3ccccn3)nn2)cc1 8683818 DYKIVSFOAWXEIA-UHFFFAOYSA-N 366.446 3.668 0 40 FHAB CCc1ccc(NC(=O)COC(=O)c2ccccc2Br)cc1 1987235 WBZBAJSGEOEXHH-UHFFFAOYSA-N 362.223 3.807 0 40 FHAB CCCCc1nc(C)c(C(=O)Nc2cccc(CN3CCOC3=O)c2)s1 44652538 YMASJWJPONFGNA-UHFFFAOYSA-N 373.478 3.999 0 40 FHAB CCCC(=O)Nc1cccc(CNC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 44663917 DEZBLVSHDSOTFP-UHFFFAOYSA-N 355.438 3.503 0 40 FHAB Cn1ccnc1[C@H](NC(=O)Nc1ccc(F)cc1F)c1ccccc1F 10260916 SFEQIZGGOHEEEA-MRXNPFEDSA-N 360.339 3.749 0 40 FHAB C[C@H]1CCCN(C(=O)c2ccc(Cn3cc(Br)cn3)cc2)C1 27969986 FGKODRXURGUTIU-ZDUSSCGKSA-N 362.271 3.566 0 40 FHAB COc1ccccc1OC(=O)COc1cccc(Oc2ccccn2)c1 24265611 NXZKQGPBMNWYMB-UHFFFAOYSA-N 351.358 3.867 0 40 FHAB CC(=O)Nc1cccc2c1N(C(=O)c1cc(-c3ccccc3)on1)CCC2 58332363 QNOLLLDYGAMRMJ-UHFFFAOYSA-N 361.401 3.893 0 40 FHAB COc1cc(CNC(=O)COc2ccccc2C(C)C)cc(OC)c1OC 9887558 XKOHXQPOVFYJRK-UHFFFAOYSA-N 373.449 3.531 0 40 FHAB COc1ccc(CN2CCCN(C(=O)Nc3ccc(C)cc3)CC2)cc1 10413514 GNTKCLTWOLFGLK-UHFFFAOYSA-N 353.466 3.743 0 40 FHAB C[C@H](CNC(=O)c1ccc2c(c1)OCO2)c1nc2ccccc2n1C(F)F 10639245 UOZGDMDBEVSFGR-LLVKDONJSA-N 373.359 3.694 0 40 FHAB C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC[C@H](C(F)(F)F)C1 11217930 DVZHCVANKATPKQ-QWRGUYRKSA-N 366.330 3.889 0 40 FHAB COc1cc2c(cc1C(=O)Nc1ccc(Cl)cc1F)OCCCO2 46077932 BWGOTJNROOMWNT-UHFFFAOYSA-N 351.761 3.901 0 40 FHAB O=C(NC1CC1)c1cccc(NC(=O)c2csc(-c3ccco3)n2)c1 29634834 ATIYYVHKMPPAIM-UHFFFAOYSA-N 353.403 3.548 0 40 FHAB O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccccc1Cn1cncn1 46384960 OTQQRXHYUMANRR-UHFFFAOYSA-N 364.493 3.549 0 40 FHAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccc(F)cc1C(F)(F)F 46817703 VPHMCORVPSAKSR-QLJPJBMISA-N 369.314 3.689 0 40 FHAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)CC)cc1)c1ccc(C)cc1 113943549 RROHMRJOZHNVHG-GOSISDBHSA-N 360.479 3.638 0 40 FHAB CC(C)c1c(NC(=O)/C=C/c2ccco2)c(=O)n(-c2ccccc2)n1C 48235343 VAKZKGHJHKYJII-VAWYXSNFSA-N 351.406 3.544 0 40 FHAB O=C(COc1ccc(Cl)cc1)Nc1ccc(Oc2ncccn2)cc1 48202673 MEXRUGXPLXHYGO-UHFFFAOYSA-N 355.781 3.940 0 40 FHAB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=S)Nc2ccccc2)cc1 100857961 WBJWPEBEJNZLQQ-QGZVFWFLSA-N 353.447 3.763 0 40 FHAB Cc1cccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c1 12774682 AYIDKPFEMYRFAO-UHFFFAOYSA-N 367.474 3.674 0 40 FHAB Cc1cccc(CC(=O)N[C@@H](c2ccccn2)[C@H]2CC[C@H](CN)CC2)c1 100749992 IAVMHKVDDWJUKA-ZWCUEREDSA-N 351.494 3.555 0 40 FHAB CCc1cc2c(SCC(=O)NC(=O)C3CCCCC3)ncnc2s1 3367425 LXMVXIUCYPNVQB-UHFFFAOYSA-N 363.508 3.569 0 40 FHAB C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)N1CCCc2ccccc21 12804396 LIPJLZGBRCLPGB-OAHLLOKOSA-N 362.429 3.622 0 40 FHAB CCOCc1c(C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)oc2ccccc12 3545996 KHISHJOOLXBBME-PBHICJAKSA-N 373.449 3.821 0 40 FHAB O=C(c1cccnc1)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1 13564268 ULUDDODVEARWGB-UHFFFAOYSA-N 355.397 3.770 0 40 FHAB CCCCCCc1cc2c3c(c(=O)oc2cc1OCC(N)=O)CCCC3 4151983 KLELOYJDRUARJW-UHFFFAOYSA-N 357.450 3.659 0 40 FHAB CC(C)Cn1c(Cn2cccn2)nc2cc(NC(=O)c3ccco3)ccc21 9355212 CVBCMPAGTIPEPY-UHFFFAOYSA-N 363.421 3.782 0 40 FHAB CCn1nnnc1SCC(=O)Nc1ccccc1Oc1ccc(C)cc1 9336040 FESSHNFAURWEDQ-UHFFFAOYSA-N 369.450 3.525 0 40 FHAB CCOc1ccc(-c2n[nH]cc2Oc2ccc(C(=O)OC)cc2)c(O)c1 5191626 RSQYSINGCMXWBE-UHFFFAOYSA-N 354.362 3.760 0 40 FHAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2nc(C)cs2)c1 9317035 ABSGRDXZFWVQEZ-UHFFFAOYSA-N 359.480 3.710 0 40 FHAB Cc1ccc(Cn2c(CCNC(=O)c3ccco3)nc3ccccc32)cc1 4386812 QJPXWYXXUYSNDV-UHFFFAOYSA-N 359.429 3.959 0 40 FHAB O=C(CSc1nnc(NC[C@H]2CCCO2)s1)c1c[nH]c2ccccc12 14094181 YAYNVNFWVBLDJH-LLVKDONJSA-N 374.491 3.585 0 40 FHAB CC[C@@]1(C)NC(=O)N(CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1=O 14093769 YMZOMJZZHMQICO-HXUWFJFHSA-N 359.470 3.592 0 40 FHAB Cc1ccc2c(CNc3ccccc3CS(C)(=O)=O)cc(=O)oc2c1C 65567593 LPGYCWPMYCKMHQ-UHFFFAOYSA-N 371.458 3.567 0 40 FHAB CCCn1nc(C(=O)Nc2cccc(SC)c2)c2ccccc2c1=O 6432061 NOFGTTMXBRYMQV-UHFFFAOYSA-N 353.447 3.781 0 40 FHAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1cccc(Cl)c1OC 65863663 IYHFPVATJXHLFX-UHFFFAOYSA-N 356.809 3.804 0 40 FHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1cccs1 14596364 DLIFVPOCVOOGLY-UHFFFAOYSA-N 359.369 3.973 0 40 FHAB CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)O 14632501 WFQUNWNJIHKUTH-HOTGVXAUSA-N 363.454 3.826 0 40 FHAB in-vitro O=C(CCCc1ccccc1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 9426487 HKECXRGBLNKABC-SFHVURJKSA-N 366.461 3.557 0 40 FHAB COc1cc(NC(=O)C2CCC2)c(OC)cc1NC(=O)c1ccccc1 5617402 RFTMQCYMCQSXJE-UHFFFAOYSA-N 354.406 3.695 0 40 FHAB Cc1nc2ccccc2c(C)c1C(=O)OCC(=O)N1c2ccccc2C[C@H]1C 7710743 IBLZFFYWKHGNDG-CQSZACIVSA-N 374.440 3.986 0 40 FHAB O=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1ccc2c(c1)OCO2 8180419 UMILPSZTAGAMJP-UHFFFAOYSA-N 351.402 3.896 0 40 FHAB CC(C)(C)c1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 8288940 JFMGMALBIBSAMG-UHFFFAOYSA-N 366.870 3.537 0 40 FHAB Cc1nc2c(n1C(C)C)CN(Cc1ccc(F)cc1)CC21CCN(C)CC1 306132065 KWYZOYOFLXSRKP-UHFFFAOYSA-N 370.516 3.891 0 40 FHAB O=C(CCN1CC[C@H](c2ccccc2)C1)Nc1ccnn1C1CCCC1 69599796 LUSZZECBRANNKG-SFHVURJKSA-N 352.482 3.816 0 40 FHAB C[C@H](Sc1nnc(Nc2ccccc2Cl)s1)C(=O)NC1CC1 9690366 RXTPAFDDUNFDKX-QMMMGPOBSA-N 354.888 3.694 0 40 FHAB Cc1ccc(-c2ncc(CN3CCC[C@@H](Cn4ccnn4)C3)s2)cc1 92070958 GQPFPUUCNVGLBL-MRXNPFEDSA-N 353.495 3.622 0 40 FHAB CC[C@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(C)cc1 8735586 BZTPRRUOHZCEQW-IBGZPJMESA-N 365.477 3.567 0 40 FHAB Cc1nc2ccccc2nc1SCC(=O)c1ccc2c(c1)OCCO2 19074870 NKNLCFUCTCOVTL-UHFFFAOYSA-N 352.415 3.684 0 40 FHAB Cc1ccc(CN2C[C@@H](C(=O)Nc3cccc4ccc(O)cc34)CC2=O)cc1 95431488 BNWGSQAQWRIHMU-SFHVURJKSA-N 374.440 3.841 0 40 FHAB Cc1ccc(NC(=O)Cn2c(CCCO)nc3ccccc32)cc1Cl 9915072 DDFLEDBMNMILEH-UHFFFAOYSA-N 357.841 3.562 0 40 FHAB O=C(c1cccc(F)c1)N1N=C(C2CCCCC2)C[C@@]1(O)C(F)(F)F 409113355 HLYWFOFICXVKHD-MRXNPFEDSA-N 358.335 3.859 0 40 FHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@@](C)(O)c1cccs1 75155904 BIRHDAWGFHXVCK-QGZVFWFLSA-N 353.871 3.583 0 40 FHAB Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(C)cc2C)S(C)(=O)=O)c1 33532221 CFQSLVKLOTWHPA-KRWDZBQOSA-N 374.506 3.713 0 40 FHAB Cc1ccccc1Oc1cncc([C@@H]2CCCN(C(=O)c3ccno3)C2)n1 72362575 WRQWIZBONLAQFF-OAHLLOKOSA-N 364.405 3.585 0 40 FHAB COc1cc2c(cc1O)CCN(CC(=O)c1c[nH]c3ccccc13)[C@@H]2C 34688079 LLVSVKHRBSSHMR-CYBMUJFWSA-N 350.418 3.684 0 40 FHAB biogenic CCc1ccc(CC)c(CNS(=O)(=O)c2ccc(OC)c(Cl)c2)c1 224177161 RJBQZDLMFARZST-UHFFFAOYSA-N 367.898 3.952 0 40 FHAB O=C(Nc1ccc2ccnc(O)c2c1)N1CCCN2c3ccccc3C[C@H]2C1 568994187 CZMWNNGDNVAVSC-SFHVURJKSA-N 374.444 3.609 0 40 FHAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)Cc1ccc(F)cc1 225774264 MJSRLGSFSHOBGL-UHFFFAOYSA-N 359.788 3.730 0 40 FHAB CSc1ccc(S(=O)(=O)N(C)c2ccccc2Br)cc1 224979307 ZNPCPYNXPWXRMA-UHFFFAOYSA-N 372.309 3.996 0 40 FHAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccs2)N1Cc1ccncc1 223483212 KVRSAUAFGMNYJC-IAGOWNOFSA-N 352.488 3.711 0 40 FHAB CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2C)cc1 223836927 YCMINGXPZXAZDQ-UHFFFAOYSA-N 361.463 3.925 0 40 FHAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1CCCCC1 225219157 QZKSHWNUKLRDCX-NRFANRHFSA-N 358.526 3.715 0 40 FHAB S=C(NCC1(c2ccc(Cl)cc2)CCOCC1)Nc1cccnc1 224016809 ZHHCWODWLAAFHG-UHFFFAOYSA-N 361.898 3.770 0 40 FHAB O=C(O)[C@@H]1CC(=O)N(c2ccc(Cl)c(-c3nc4ccccc4o3)c2)C1 45887401 CFUPMVWFAWPUSC-SNVBAGLBSA-N 356.765 3.586 0 40 FHAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c(Cl)c1 191158993 PVRSVYCNFANQFK-AWEZNQCLSA-N 372.852 3.810 0 40 FHAB Cc1ccc(CN2CCC3(CC2)CCN(C(=O)c2cscn2)C3)s1 96046541 AIESBLPOCJDTDI-UHFFFAOYSA-N 361.536 3.641 0 40 FHAB O=C(/C=C\c1cccs1)N1C[C@H](c2ccccc2)[C@H](c2ncon2)C1 245060747 PZIIEGVBBUMZAM-IAGOWNOFSA-N 351.431 3.554 0 40 FHAB CC1(C)[C@H]2CC[C@]1(C)c1nc(S[C@H]3Cc4ccccc4C3=O)nnc12 245230737 XVEIPILUCCXLNH-PJSUUKDQSA-N 351.475 3.946 0 40 FHAB O=C(/C=C\c1cccs1)N1CC[C@@H](c2noc(-c3ccsc3)n2)C1 253475062 NRUWSPCZRJSOFE-VSQXVHSFSA-N 357.460 3.889 0 40 FHAB COc1ncccc1C(=O)N1CCC[C@H](Cc2cccc3cccnc23)C1 257300848 RVXJQHRXAWEMPY-MRXNPFEDSA-N 361.445 3.733 0 40 FHAB CCOCC(=O)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257252015 JTFOXKKXZZWATQ-OAHLLOKOSA-N 362.857 3.661 0 40 FHAB CN1CCC[C@H](NC(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c2ccccc21 665055411 NIOQNCRNMRWOII-YXYSEUPNSA-N 365.452 3.734 0 40 FHAB Cc1cc(C(=O)N2CC(C)(C)[C@H]2c2cccs2)ccc1N1CCNC1=O 673396292 QAJONPLWRGOOEC-QGZVFWFLSA-N 369.490 3.809 0 40 FHAB CC[C@]1(CO)CCCN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)C1 1320605441 VNHXBRANSCTSMI-NRFANRHFSA-N 354.450 3.844 0 40 FHAB O=C(NCCn1nc(C2CC2)cc1C1CC1)NCc1ccc(Cl)cc1 96121785 ZOXVTGZVBVGXNS-UHFFFAOYSA-N 358.873 3.791 0 40 FHAB CCOc1ccc(CC(=O)NC[C@@](C)(OC)c2cccc(Cl)c2)cc1 96392509 HXHAGHYYVZCVTC-HXUWFJFHSA-N 361.869 3.959 0 40 FHAB CC(C)CN1CC[C@@]12CCCN(C(=O)COc1ccc3ccccc3c1)C2 585102039 ONRIYRNFAMBJOW-HSZRJFAPSA-N 366.505 3.942 0 40 FHAB CCOc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(C4CC4)nn3)C2)cc1 823378891 XLORLWWNNPYAGT-MRXNPFEDSA-N 366.465 3.608 0 40 FHAB Cc1c(C(=O)NCc2ccc3cc[nH]c3n2)cnn1-c1cccc(Cl)c1 685939940 XARVZFATKXHIGQ-UHFFFAOYSA-N 365.824 3.640 0 40 FHAB O=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1ccc(Cl)cc1 70761505 SUANANGZGPCLLO-SFHVURJKSA-N 361.850 3.505 0 40 FHAB COc1ccc(CN2CCCC[C@H]3CN(C(=O)C4CCCC4)C[C@H]32)cc1 72330641 BRFKTRGYUAUVJU-PZJWPPBQSA-N 356.510 3.698 0 40 FHAB O=C(Nc1nnc2n1CCCS2)C1(c2ccc(Cl)cc2)CCCC1 36647213 YAOUTFNTHVRJBI-UHFFFAOYSA-N 362.886 3.878 0 40 FHAB O=C(Nc1cccc(C(F)(F)F)c1)N1CC(COc2cccnc2)C1 1776007962 PHCMUDJYYABWAI-UHFFFAOYSA-N 351.328 3.643 0 40 FHAB O=C(COC(=O)/C=C/c1ccc(F)cc1)Nc1ccc(OC(F)F)cc1 3282362 FNRWHKQHDVCHEG-XCVCLJGOSA-N 365.307 3.622 0 40 FHAB O=C(C1CCCC1)N1CC[C@H](c2cc(COc3cccc(F)c3)[nH]n2)C1 19704512 UUURLKNAONYWNC-HNNXBMFYSA-N 357.429 3.634 0 40 FHAB CSc1nc(SCCN(C)C)c2c3c(sc2n1)COC(C)(C)C3 5156436 GBNXURRPBVZGAJ-UHFFFAOYSA-N 369.581 3.918 0 40 FHAB Cc1ccc(C(=O)Cn2nnc(-c3ccc(Br)cc3)n2)c(C)c1 5255655 QYYAJCKVUGGVDH-UHFFFAOYSA-N 371.238 3.602 0 40 FHAB COc1ccc(C(=O)N2C[C@H]3CCCN(Cc4ccc(F)cc4)[C@H]3C2)cc1 12188390 FBSGIJTUTJWHNX-NQIIRXRSSA-N 368.452 3.571 0 40 FHAB CCc1nn2c3c(nnc2c1-c1ccccc1OC)C(=O)CC(C)(C)C3 13610880 NLRXFCXDZDPGQC-UHFFFAOYSA-N 350.422 3.517 0 40 FHAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(-n2cnnn2)cc1 15646279 WQONAKLWLQXUKK-KRXBUXKQSA-N 360.204 3.621 0 40 FHAB C[C@H](NC(=O)CCn1c(C(F)(F)F)cc2cccnc21)c1ccncc1 19459733 AODRKFUIBIQGTB-LBPRGKRZSA-N 362.355 3.718 0 40 FHAB CC(C)(C(=O)N(Cc1ccccn1)C[C@@H]1CCCO1)c1cccc(F)c1 19666344 VGTAZXXFOCTFMJ-IBGZPJMESA-N 356.441 3.706 0 40 FHAB COCCC(=O)N1CCC[C@H]1c1cc(-c2cccc(OC)c2)cc(C)n1 19690651 CDKZQTPSYPDNMA-FQEVSTJZSA-N 354.450 3.766 0 40 FHAB COc1ccc(-c2cc(CC(=O)N[C@@H]3CCCC[C@H]3C)no2)cc1OC 12867655 OZGGLQLZOPLNDY-CZUORRHYSA-N 358.438 3.596 0 40 FHAB COc1cccc(N2CCN(C(=O)/C=C/c3ccc([C@@H]4C[C@H]4C)o3)CC2)c1 24576740 DQHOAZKSQLBPTC-YRKRUQKISA-N 366.461 3.774 0 40 FHAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@H]1CCOc2ccccc21 24752071 QOIDKPKBYSCTHQ-IBGZPJMESA-N 355.482 3.729 0 40 FHAB CCN(CC)[C@H](CNC(=O)NCc1ccc(OC)cc1)c1ccccc1 24864020 MTQJEIZBOLANDM-HXUWFJFHSA-N 355.482 3.578 0 40 FHAB CSc1ccccc1NC(=O)N1CC2(C[C@H](N3CCCC3)CS2)C1 2056224103 DCJVWLUUSMSUEK-AWEZNQCLSA-N 363.552 3.596 0 40 FHAB O=C(Cn1ccc2ccccc21)N[C@H](c1cccs1)C1CCOCC1 1565523385 MOCSHVUOGZXPMP-FQEVSTJZSA-N 354.475 3.987 0 40 FHAB CCc1ccc(N2C[C@H](C(=O)Nc3nc4ccccc4s3)CC2=O)cc1 969403 BCYJFEIRNIKIAO-CQSZACIVSA-N 365.458 3.850 0 40 FHAB CC[C@]1(C)Oc2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2O1 15083693 KKBLQPDYEMOCBI-HXUWFJFHSA-N 373.405 3.862 0 40 FHAB C[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H](c1cccs1)N1CCOCC1 23181004 GSNHPMOHBGCPTK-CXAGYDPISA-N 364.898 3.593 0 40 FHAB Cn1cc([C@@H]2CN(C(=O)c3nc4ccccc4s3)Cc3ccccc32)cn1 575620265 SBUKPUGTGBKUKY-KRWDZBQOSA-N 374.469 3.818 0 40 FHAB CCOC(=O)Nc1nc(CC(=O)Nc2ccc(F)c(Cl)c2)cs1 12440490 PKRMDGLQOHQRJZ-UHFFFAOYSA-N 357.794 3.685 0 40 FHAB COc1ccc(N2C(=O)[C@H](Oc3ccccc3F)[C@@H]2c2cccnc2)cc1 40156595 KAMGYSISSYITNM-VQTJNVASSA-N 364.376 3.765 0 40 FHAB Cc1c(C(=O)N[C@@H]2CCc3ccccc32)nnn1-c1ccc(Cl)cc1 51318164 RJPSGIKTEGTCSD-QGZVFWFLSA-N 352.825 3.646 0 40 FHAB C[C@H](Cc1ccco1)NC(=O)Cn1ccc2ccc(Br)cc21 20716442 NWSAGOKJVQPDNK-GFCCVEGCSA-N 361.239 3.744 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c2ccccc12 32601594 XCLXSMUQNMABMQ-UHFFFAOYSA-N 371.414 3.738 0 40 FHAB COC(=O)c1ccoc1COc1ccccc1C(=O)NCc1ccccc1 32895991 PBILTMOCYQBZLO-UHFFFAOYSA-N 365.385 3.575 0 40 FHAB Cc1ccc(Cc2cnc(NC(=O)[C@H]3COc4ccccc4O3)s2)cc1 818335 BVDOAXGYZPHUBI-GOSISDBHSA-N 366.442 3.821 0 40 FHAB O=C(NCc1ccccc1)NC1(C(=O)N2CCCCCC2)CCCCC1 1344800 KUCRCUZAVGXDAX-UHFFFAOYSA-N 357.498 3.591 0 40 FHAB CCc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)NCc1ccccc1 1379399 RVHOYXSMLUGTIL-IBGZPJMESA-N 351.450 3.562 0 40 FHAB CCOC(=O)c1c(N)sc(I)c1-c1ccccc1 3191264 ITUXHHFPXWJHKR-UHFFFAOYSA-N 373.215 3.779 0 40 FHAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ncccc1C 1418809 BEJHQTOMAZRDKF-UHFFFAOYSA-N 370.261 3.832 0 40 FHAB Cc1cccc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c1C 3552176 IWSWQYGPYJGDBW-UHFFFAOYSA-N 358.869 3.684 0 40 FHAB CN(Cc1ccc(Cl)s1)C(=O)c1ccc(CN2CCCC2=O)cc1 25448133 PEXQNSXPGQKYME-UHFFFAOYSA-N 362.882 3.796 0 40 FHAB O=S(=O)(/C=C/c1ccccc1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 56138190 KNAWWMNTEWIXRN-OEDVWLICSA-N 361.438 3.636 0 40 FHAB COC(=O)CCCCCCNC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 57752840 FTJLPQANCVGJJW-QWHCGFSZSA-N 352.397 3.530 0 40 FHAB CCCCC(=O)Nc1nnc([C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)s1 9224806 QMLYJCWGYNCZFO-AWEZNQCLSA-N 372.494 3.804 0 40 FHAB CN(C)C(=O)c1ccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)cc1 27223347 HMCXDNFHXNBTTL-UHFFFAOYSA-N 358.825 3.643 0 40 FHAB Cc1ccc(C)c(NC(=S)N2[C@@H]3CCC[C@@H]2CC(NC(=O)C2CC2)C3)c1 100426901 PSIQYSRGYUQJNU-QZTJIDSGSA-N 371.550 3.912 0 40 FHAB CC1CCN(S(=O)(=O)N(CCc2ccccc2)c2ccccc2)CC1 58130801 JAGYGRYDKCCFEE-UHFFFAOYSA-N 358.507 3.712 0 40 FHAB CCN(CC)C(=O)Cn1c(Cc2ccc(OC)cc2)nc2ccccc21 27693434 BCSSFZMCXPDXSZ-UHFFFAOYSA-N 351.450 3.504 0 40 FHAB Cc1cc(C(=O)O[C@H](C)C(=O)c2ccccc2)c2cnn(C(C)C)c2n1 10206008 VQPJNYXLCWWQDT-CQSZACIVSA-N 351.406 3.749 0 40 FHAB COc1cccc(CNCCCn2ccnc2)c1OCc1ccc(F)cc1 10314008 OKINFDJBUFVLRP-UHFFFAOYSA-N 369.440 3.790 0 40 FHAB Cc1ccc([C@@H](CNC(=O)COc2ccccc2C)N2CCCC2)cc1 27992514 XQSVQCBFARWYQJ-HXUWFJFHSA-N 352.478 3.636 0 40 FHAB COC(=O)[C@@]12CC[C@](C)([C@@H](OC(=O)C(Cl)(Cl)Cl)C1)C2(C)C 100745780 JRRZNKPUTSDMIK-ZEGGKSINSA-N 357.661 3.658 0 40 FHAB C[C@H](NC(=O)COc1cccc(Br)c1)[C@H]1C[C@H]2CC[C@H]1C2 108869866 FDRDZYSCVFNPHX-WFGGJUAMSA-N 352.272 3.769 0 40 FHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)nc1 28939776 KIBAAIGVKGGEON-CALCHBBNSA-N 373.522 3.779 0 40 FHAB COc1cn(-c2ccccc2)nc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 11448339 RKKRKNWLUIGYBT-LBPRGKRZSA-N 368.462 3.715 0 40 FHAB COc1ccc(CNC(=O)c2ccccc2NC(=O)c2cccs2)cc1 22833749 QQIVRYCKLAASLF-UHFFFAOYSA-N 366.442 3.939 0 40 FHAB CSCC[C@H](NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1 11760632 ZPVWMOCJIAPJMM-SFHVURJKSA-N 368.506 3.899 0 40 FHAB COc1ccccc1-c1nnc(SCc2nc3ccccc3s2)n1N 2644251 HQTNXOCZFSOETB-UHFFFAOYSA-N 369.475 3.570 0 40 FHAB O=C(Nc1cccnc1Cl)c1ccn(COc2ccc(Cl)cc2)n1 2787437 HCRTVQPXUFGTEC-UHFFFAOYSA-N 363.204 3.874 0 40 FHAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCO3)c2C(N)=O)C1 2742523 IZFRUQUJFVCGJO-YPMHNXCESA-N 364.511 3.506 0 40 FHAB COc1cc(SC)ccc1C(=O)OCC(=O)Nc1c(C)cccc1C 3218002 CQCGNOZGNVKERE-UHFFFAOYSA-N 359.447 3.829 0 40 FHAB Cc1ccc([C@@H](CNC(=O)COc2ccc(C)c(C)c2)N2CCCC2)cc1 27795006 GHCBBXXFUNWQPH-JOCHJYFZSA-N 366.505 3.944 0 40 FHAB CC(=O)c1ccc(O[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1 12700925 VNCLSRJXPURJRB-IBGZPJMESA-N 350.374 3.944 0 40 FHAB CC[C@@H](C)NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 10314573 LMWHDCNMBNEFLP-OAHLLOKOSA-N 360.479 3.633 0 40 FHAB Cc1csc(SCc2nc(N)nc(Nc3ccc(Cl)cc3)n2)n1 12790807 UEMJQPLYUJAOQD-UHFFFAOYSA-N 364.887 3.908 0 40 FHAB c1ccc(OCc2cccc(CNc3cncc(-n4cccn4)n3)c2)cc1 48355475 LIRQPZLEBODSDV-UHFFFAOYSA-N 357.417 3.853 0 40 FHAB Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c(C)c1 12854344 PTOLTKZYMISUCK-UHFFFAOYSA-N 356.813 3.555 0 40 FHAB CC(C)C(=O)Nc1cc(I)ccc1C(F)(F)F 12856822 JESCPHXMQJYGGQ-UHFFFAOYSA-N 357.113 3.905 0 40 FHAB C[C@@H](C(=O)NCC1CCCCC1)N(C)Cc1ccc(Br)cc1 3417156 QJCHHMVRPCRHFA-AWEZNQCLSA-N 367.331 3.966 0 40 FHAB Cc1cccc(C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)c1 12984741 XCYRRDZOJLPUCK-UHFFFAOYSA-N 358.441 3.746 0 40 FHAB CCc1nnc(Cn2cnc3scc(-c4ccc(C)c(C)c4)c3c2=O)o1 12915721 TTZOAECGFIUAFM-UHFFFAOYSA-N 366.446 3.736 0 40 FHAB COc1ccccc1NC(=O)[C@@H](C)Oc1ccc(F)c2c1C(=O)C[C@@H]2C 12931329 LXOJAOMPNGZIIY-NWDGAFQWSA-N 357.381 3.930 0 40 FHAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCc2ccc(F)cc2)cc1 12993459 ROWUEBNUKZGHHA-UHFFFAOYSA-N 370.453 3.762 0 40 FHAB COc1ccc(-c2n[nH]c(=S)n2CC(=O)N[C@@H](C)c2cccs2)cc1 9314133 ATHOXRHQXSDPQI-NSHDSACASA-N 374.491 3.555 0 40 FHAB CCc1c(-c2csc(-c3cccc(C(N)=O)c3)n2)[nH]c(C)c1C(C)=O 63629723 YPJSDALXPAXBKP-UHFFFAOYSA-N 353.447 3.978 0 40 FHAB CN(C)C(=O)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 408976006 DNZMUPVYMWNUFY-UHFFFAOYSA-N 370.416 3.847 0 40 FHAB Cc1c(-c2ccccc2)sc2ncn(CC(=O)NCCC(C)C)c(=O)c12 6115233 UXMHWRCAPXDTCA-UHFFFAOYSA-N 369.490 3.596 0 40 FHAB Fc1cccc(-n2nnnc2SCc2cc(-c3cccs3)on2)c1 9450249 YSBOBQZBFRFIRC-UHFFFAOYSA-N 359.411 3.810 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 14093806 DLHQIYYNXHFTIC-UHFFFAOYSA-N 356.809 3.550 0 40 FHAB C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccccc1N1CCc2ccccc21 66021234 AAQOLBQMXQFBFY-FUHWJXTLSA-N 366.461 3.903 0 40 FHAB O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN(c2ncccn2)C1 9532006 ZGVOKWLIAQWBGZ-NSHDSACASA-N 351.237 3.639 0 40 FHAB CC(=O)N1c2ncnn2[C@H](c2ccc(F)cc2)C[C@@H]1c1ccc(C)cc1 4816580 KYSWRNRVKSRDLU-MOPGFXCFSA-N 350.397 3.813 0 40 FHAB Cc1ccc(CSCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1 9596560 NZMVYOQBJOFZFY-UHFFFAOYSA-N 365.520 3.558 0 40 FHAB CCc1ccc(C(=O)[C@H](C)OC(=O)c2cc(Cl)c(N)cc2OC)cc1 5955283 WUWADKNAAFXGGV-NSHDSACASA-N 361.825 3.921 0 40 FHAB CC(=O)Nc1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 7052092 SNXPOLACPDTREO-UHFFFAOYSA-N 360.479 3.988 0 40 FHAB CCc1cc2c(N(Cc3cccnc3)C[C@H]3CCCO3)ncnc2s1 83820508 FBMDRULDSRBMIE-OAHLLOKOSA-N 354.479 3.834 0 40 FHAB CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)CCC(C)=O)n2)cc1 7515002 IQFDOKKKJREJRA-ZDUSSCGKSA-N 374.462 3.612 0 40 FHAB Cc1cc(Br)ccc1NS(=O)(=O)c1cc(F)cc(F)c1 16100075 JNYIKJNUVTYQFQ-UHFFFAOYSA-N 362.195 3.837 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)CN(C)[C@@H](C)c2cccs2)c1 16435205 NRNDIIDAOMAEFD-KGLIPLIRSA-N 362.495 3.636 0 40 FHAB COc1cc(NC(=O)c2cc3cc(Cl)ccc3o2)ccc1NC(N)=O 83923433 ZFFPOVSNONTDIG-UHFFFAOYSA-N 359.769 3.838 0 40 FHAB Fc1ccc(NC(=S)N2CCC(Oc3ccc4c(c3)OCO4)CC2)cc1 17076592 CQPRRGIKDAPBOQ-UHFFFAOYSA-N 374.437 3.795 0 40 FHAB Cc1cc(NC(=O)NCC2(c3cccc(Br)c3)CCC2)no1 84120108 BXRPKUJNSKGHMN-UHFFFAOYSA-N 364.243 3.989 0 40 FHAB O=C(NC1CC1)[C@@H](Sc1nncn1-c1ccccc1)c1ccc(F)cc1 8708589 JMIOYQFSNNWOMU-KRWDZBQOSA-N 368.437 3.518 0 40 FHAB COc1ccccc1OCCC(=O)N[C@@H]1CCSc2ccc(F)cc21 8761835 ADPPNQSDVVRLEU-OAHLLOKOSA-N 361.438 3.957 0 40 FHAB COc1ccc(CCc2nnc(NC(=O)c3cccc(OC)c3)s2)cc1 9095412 CNLUVRLSLHLKMU-UHFFFAOYSA-N 369.446 3.593 0 40 FHAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCCC2=O)cc1 20493283 JEKAHRWXPPMPBA-CYBMUJFWSA-N 358.825 3.873 0 40 FHAB COc1ccc(-n2ccc(C(=O)Nc3c(C)cnn3-c3ccccc3)n2)cc1 95964535 ZOVIMCGZTABSAP-UHFFFAOYSA-N 373.416 3.627 0 40 FHAB O=C(Cn1ccc(=O)c2ccccc21)NN(c1ccccc1)c1ccccc1 89845582 XLCBXBLRKFJPCZ-UHFFFAOYSA-N 369.424 3.871 0 40 FHAB Cc1cc(OCc2ccc(C(=O)NCCCn3ccnc3)o2)ccc1Cl 27937039 VFTPWCSUXUBYLY-UHFFFAOYSA-N 373.840 3.837 0 40 FHAB CCCc1nc(-n2cccc2)sc1C(=O)Nc1ccc2c(c1)OCCO2 61721991 NTTCPMMMMJWWTB-UHFFFAOYSA-N 369.446 3.910 0 40 FHAB CC(=O)c1cc(Cl)cc(CSc2nnc(C(F)(F)F)n2C)c1O 32936563 AFPNBELODWYLJK-UHFFFAOYSA-N 365.764 3.688 0 40 FHAB O=C(CSCc1ccccc1Cl)NCCSc1ccccn1 37868545 DRZPGGVUEDBYIX-UHFFFAOYSA-N 352.912 3.877 0 40 FHAB CC(=O)N(C)c1ccc(NC(=O)NCc2ccccc2CC(C)C)cn1 529124586 WMKQLDIRPQSOQF-UHFFFAOYSA-N 354.454 3.585 0 40 FHAB Cc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3cc(C)cc(C)c3)n2)cc1 219552391 MHGOFEXILMBBGX-INIZCTEOSA-N 365.433 3.746 0 40 FHAB COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(OC)c(O)c2)c1 36359004 SSCXJNUNDQPWBV-HNNXBMFYSA-N 365.389 3.719 0 40 FHAB CCOc1cccc2sc(NC(=O)[C@@H]3OCCc4ccccc43)nc12 35316767 UMVSRADYYIZNCC-QGZVFWFLSA-N 354.431 3.948 0 40 FHAB CC(C)(C)OC(=O)N1CCC(Cc2cccc(Cl)c2)(C(=O)O)CC1 35571457 HUMGGZWIUJAXGE-UHFFFAOYSA-N 353.846 3.984 0 40 FHAB CC[C@@H](NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1)c1ccc(C)cc1 223039308 YJZIGKGHMFYQBA-GOSISDBHSA-N 361.463 3.520 0 40 FHAB CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(SC)cc1 224983198 DPYZXUFCKDAVCQ-UHFFFAOYSA-N 351.493 3.941 0 40 FHAB CC[C@@H](COc1cccc(C)c1)NC(=O)c1cc(OC)c(OC)c(OC)c1 80344780 RDNAWSSSHUMVMI-INIZCTEOSA-N 373.449 3.608 0 40 FHAB O=C(Cc1cccc(Br)c1)NCCOc1ccccc1Cl 225623153 HSUSBDVFKVYHHK-UHFFFAOYSA-N 368.658 3.840 0 40 FHAB O=c1cc(-c2cccnc2)nc2n(Cc3cccc(F)c3)c3ccccc3n12 40484755 KCESFFIYEWFVJV-UHFFFAOYSA-N 370.387 3.899 0 40 FHAB COC1(CNC(=O)c2ccc(Cl)c(Cl)c2)Cc2ccccc2C1 225719955 FVFWOHHIDALYOO-UHFFFAOYSA-N 350.245 3.907 0 40 FHAB CN(Cc1cccs1)S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 223746212 RKMIBOGHMNSYAQ-UHFFFAOYSA-N 351.493 3.672 0 40 FHAB C[C@H](Oc1ccccc1Cl)C(=O)NCCOc1ccccc1Cl 224290418 POHQMNNJZFFJRV-LBPRGKRZSA-N 354.233 3.956 0 40 FHAB CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C 223484085 QLLIVIAQYPMIQQ-IBGZPJMESA-N 356.441 3.688 0 40 FHAB O=C(Nc1cc2c(cn1)CCCC2)N1CC2(CCC2)[C@@H]1C1CCOCC1 572030826 ZJIXUHPWWPJBBR-IBGZPJMESA-N 355.482 3.773 0 40 FHAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 222986180 VHFVXQHKGGGDSM-IBGZPJMESA-N 366.505 3.871 0 40 FHAB COc1ccc(CCNC(=O)c2ccc(OC)c(COC(C)C)c2)cc1 224422671 CFFYTUDHQRFXAP-UHFFFAOYSA-N 357.450 3.601 0 40 FHAB CCCc1ccc(OCCNC(=O)CCc2nc3ccccc3o2)cc1 224949004 TYYZOLMVXFQBAV-UHFFFAOYSA-N 352.434 3.908 0 40 FHAB Cc1ccnc(C)c1NC(=O)c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 332542927 YDIVRRSMRUXPBL-IYBDPMFKSA-N 353.466 3.560 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)c(Cl)c1 96344840 MHYKGVBPABXXAA-GFCCVEGCSA-N 368.824 3.516 0 40 FHAB O=C1CC[C@]2(CCCN(Cc3ccc(F)cc3)CC2)N1Cc1ccncc1 96047539 PQWOGPMKXQMBSI-QFIPXVFZSA-N 367.468 3.768 0 40 FHAB Cc1nc(CN2CC[C@@]3(CCCN(Cc4c(C)noc4C)C3)C2)cs1 96215990 LYXZCBLGJWQMFO-LJQANCHMSA-N 360.527 3.544 0 40 FHAB c1ccc(COC[C@H]2CC3(CCN(Cc4cccs4)CC3)CO2)nc1 96218293 FNRWBUHJLMEJSQ-GOSISDBHSA-N 358.507 3.731 0 40 FHAB c1coc(CN2CCC(c3nc4ccc(-c5ccncc5)cn4n3)CC2)c1 96038240 JANYDGDMJUEDJQ-UHFFFAOYSA-N 359.433 3.764 0 40 FHAB Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)n1 257247236 IYCIGUUECRUHIN-MRXNPFEDSA-N 351.429 3.694 0 40 FHAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@@H]3C)CC2)on1 257312990 UQOHPKXPRIIPFQ-OSMBCOQSSA-N 368.481 3.794 0 40 FHAB Cn1ccc2cc([C@H](O)CNC(=O)CCc3cccc(Cl)c3)ccc21 252479900 BOYWRBMPBIOEHO-LJQANCHMSA-N 356.853 3.614 0 40 FHAB FC(F)c1cc(N2CCN(c3ccc(Br)cc3)CC2)ncn1 1640130341 ZMRULTZWXFKSIU-UHFFFAOYSA-N 369.213 3.503 0 40 FHAB Fc1ccc(-c2nc(CN3CCN4CCC[C@@H]4C3)co2)cc1C(F)(F)F 625196502 NGBZFUVKYSSKQA-CQSZACIVSA-N 369.362 3.780 0 40 FHAB C[C@@H]1CN(CCOc2ccc(C(=O)O)cc2Cl)CC2(CCCCC2)O1 656192538 ZPRBTBVVQVHCAS-CQSZACIVSA-N 367.873 3.841 0 40 FHAB OCc1cc(-c2ccccc2)nc2c(I)cccc12 685937745 ZEINOXQULBZVES-UHFFFAOYSA-N 361.182 3.999 0 40 FHAB COc1cc2c(cc1CN[C@@H](c1ccccc1)c1nccn1C)O[C@@H](C)C2 30643471 XLPGIVOPMKAQCC-BTYIYWSLSA-N 363.461 3.631 0 40 FHAB CC[C@H](c1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)C(=O)O 699218389 WNRGYRVZJGOYMB-CHWSQXEVSA-N 372.259 3.921 0 40 FHAB CCc1nnc(SCC(=O)Nc2ccc(C(C)C)cc2)n1-n1cccc1 5223947 LTYDDVKIEYIQRE-UHFFFAOYSA-N 369.494 3.808 0 40 FHAB Cn1c(=O)n(C)c2cc(CNC3(c4ccc(Cl)cc4)CCC3)ccc21 12361791 KWFKZTMJROABJG-UHFFFAOYSA-N 355.869 3.699 0 40 FHAB COc1ccc(NCc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1Cl 13086679 NZURRHVSTIFONU-UHFFFAOYSA-N 358.781 3.531 0 40 FHAB CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OCC)n2nc(C)nc2N1 14163407 GAEYEKOHHNJSGK-GOSISDBHSA-N 370.453 3.617 0 40 FHAB Cc1ccccc1Cn1nc(C)c(NS(=O)(=O)c2ccccc2)c1C 14222395 KRADGAVNOZNALY-UHFFFAOYSA-N 355.463 3.657 0 40 FHAB CCc1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 1934906 TWORRQPTPCTBTN-GFCCVEGCSA-N 372.490 3.552 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cc(Cl)c3nc(N)sc3c2)cc1 226314587 RAHUZWFPYJUGTH-UHFFFAOYSA-N 353.856 3.641 0 40 FHAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCC[C@@H]1c1cccs1 8320234 OVTJGBXUSAORBZ-MRXNPFEDSA-N 369.490 3.649 0 40 FHAB O=C(C1CCN(Cc2c(F)cccc2Cl)CC1)N1CCC(F)(F)CC1 1889130555 ITEBDWFPWUBHOM-UHFFFAOYSA-N 374.834 3.949 0 40 FHAB Cc1cccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1 9708966 QTGGQWUHYGLIQU-UHFFFAOYSA-N 362.437 3.504 0 40 FHAB CC(C)c1ccc(CCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cc1 40145197 CTKWZBCMIYBTQN-UHFFFAOYSA-N 369.490 3.699 0 40 FHAB COc1ccc(C2=C[C@H](c3ccc(OC(F)F)cc3)NC(=S)N2)cc1 51329818 FOYAKWXFGCMPPC-MRXNPFEDSA-N 362.401 3.857 0 40 FHAB O=C(/C=C/c1ccco1)NCCC(=O)Nc1ccccc1SC(F)F 32815151 TZCFVWFXCSGLTN-BQYQJAHWSA-N 366.389 3.753 0 40 FHAB COc1ccc(OCc2noc(CN3CCSc4ccccc43)n2)cc1 32868766 JIFJKRMGTZJDNV-UHFFFAOYSA-N 369.446 3.770 0 40 FHAB COc1ccc(-c2nnc(S[C@H](C)C(N)=O)n2[C@@H]2CCCC[C@H]2C)cc1 105116718 NOULKAYSNPHPQA-XJKCOSOUSA-N 374.510 3.671 0 40 FHAB C[C@H](NC(=O)c1cccc(I)c1)c1ccccc1 826228 PWTJXCSQEWPNLD-NSHDSACASA-N 351.187 3.782 0 40 FHAB COC(=O)c1c(NC(=O)c2cccc(OC)c2)sc2c1CC[C@H](C)C2 994765 FFRHQVKBRQKNLA-NSHDSACASA-N 359.447 3.920 0 40 FHAB CCOC(=O)c1c(NC(=O)c2ccccc2OC)sc(C(C)=O)c1C 1102620 IMZHOEUZORCWOU-UHFFFAOYSA-N 361.419 3.697 0 40 FHAB CCC(=O)Nc1ccc2nc(C)n(Cc3ccc(Cl)cc3)c(=O)c2c1 1363164 NRQMXAZIWHCDRU-UHFFFAOYSA-N 355.825 3.755 0 40 FHAB CCOC(=O)[C@H]1C(O)=NC(c2ccccc2)=N[C@@H]1c1ccc(Cl)cc1 1404411 REHLQDGLYUCDKJ-HZPDHXFCSA-N 356.809 3.977 0 40 FHAB CCc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3cccc(OC)c3)NC(=O)CN21 2115777 QMFJARHDSVJBIU-RGPPVUSESA-N 362.473 3.895 0 40 FHAB biogenic CC(C)(C)[C@@H]1CCc2c(sc3nc(NN)n(-c4ccccc4)c(=O)c23)C1 2279515 LFYGGOABDXCZAR-GFCCVEGCSA-N 368.506 3.884 0 40 FHAB COc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C)c1 2398752 KTLRYBZPXNHXRW-INIZCTEOSA-N 355.777 3.630 0 40 FHAB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2)N2C(=O)CCSC2=N1 2484736 UXFQMMNLMMINKP-QGZVFWFLSA-N 358.463 3.536 0 40 FHAB O=C(COC(=O)c1cccnc1Cl)Nc1nc(-c2ccccc2)cs1 3244452 PZYCVTQMWKZRSM-UHFFFAOYSA-N 373.821 3.654 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc2c(c1)OCO2 3279779 LVZZBNUJPUCLAZ-UHFFFAOYSA-N 355.390 3.643 0 40 FHAB CC[C@H]1C(=O)Nc2ccccc2N1C(=O)c1cccc(OC(F)(F)F)c1 4107609 XJHCOPDCDBICDD-AWEZNQCLSA-N 364.323 3.963 0 40 FHAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(N(C)C)cc3)CC2=O)cc1Cl 4123758 MLVKMOMMTSDFAD-AWEZNQCLSA-N 371.868 3.706 0 40 FHAB Cc1ccc(SC(=C(Cl)Cl)C(=C2NCCCN2)[N+](=O)[O-])cc1 4301260 UXGPNMTVTDSDKM-UHFFFAOYSA-N 360.266 3.763 0 40 FHAB CCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(C)o3)=NN12 5093374 VRCSSUFNQVRNTF-GOSISDBHSA-N 351.450 3.944 0 40 FHAB CCOc1ccc(NC(=O)c2nn(-c3cccc(Cl)c3)ccc2=O)cc1 5451197 RCRZWKIGXDOWLL-UHFFFAOYSA-N 369.808 3.537 0 40 FHAB O=C(CSc1ncnc2ccccc12)NC12CC3CC(CC(C3)C1)C2 5505350 JZJYCYGOTKAIJP-UHFFFAOYSA-N 353.491 3.807 0 40 FHAB COc1cc(NC[C@@H](O)CN(CC(C)C)CC(C)C)c2ncccc2c1 5834690 JSXONVWYLGHYDM-GOSISDBHSA-N 359.514 3.630 0 40 FHAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)O)cc1 5839959 SNVHTXVPKGQJDF-UHFFFAOYSA-N 356.447 3.809 0 40 FHAB Cc1cccc(NC(=O)COc2ccc(Br)cc2C=O)c1C 5871657 LLVNDPJBIITZLC-UHFFFAOYSA-N 362.223 3.896 0 40 FHAB C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1cccc(C(F)(F)F)c1 6115258 HHRQPYWJVYAVCU-SNVBAGLBSA-N 366.368 3.867 0 40 FHAB COc1ccccc1-c1csc(NC(=O)[C@H]2COc3ccccc3O2)n1 6175020 KAKLKIMJVZWCIV-QGZVFWFLSA-N 368.414 3.597 0 40 FHAB CCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 6462776 BICWFYLWWFIDBC-UHFFFAOYSA-N 372.444 3.541 0 40 FHAB COc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1NC(C)=O 6623209 PUMGAEZEAZWJLN-UHFFFAOYSA-N 370.430 3.608 0 40 FHAB O=C(c1ccccc1)n1nc(-c2cccnc2)nc1NCc1ccc(F)cc1 6662526 ULJUGNXHZYHNGL-UHFFFAOYSA-N 373.391 3.780 0 40 FHAB Cn1c(CCN2CCCC2)nc2cc(NC(=O)C3CCCCC3)ccc21 6804521 HSVMRGTZIPDESP-UHFFFAOYSA-N 354.498 3.730 0 40 FHAB C[C@@H]1CCCCN1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 7063211 XMKAOIWJCVARMF-MRXNPFEDSA-N 354.498 3.983 0 40 FHAB O=S(=O)(NCc1cccc(Cl)c1)c1cccc(Br)c1 7375295 MNSLQNQQMAWPJW-UHFFFAOYSA-N 360.660 3.581 0 40 FHAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1 7504616 QXYLQBFNIPTVQX-UHFFFAOYSA-N 350.340 3.794 0 40 FHAB O=C(c1cnn(-c2ccccc2)n1)N(Cc1ccco1)Cc1cccs1 7717973 CXKGJTKBQFOFHV-UHFFFAOYSA-N 364.430 3.764 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2c(C)noc2C(C)C)c1C 7825680 LRALEYVNGYNHQR-CYBMUJFWSA-N 360.410 3.682 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)CSc2nc3ccccc3o2)c1 7883813 NETMCZUSCJJMPG-GFCCVEGCSA-N 372.446 3.815 0 40 FHAB Cc1ccccc1-n1ccnc1SCC(=O)N[C@@H](C)c1ccccn1 7989892 SGKGICYCRBCZBH-HNNXBMFYSA-N 352.463 3.545 0 40 FHAB CCCCn1nc(C)c(C(=O)N(C)Cc2ccc3c(c2)OCO3)c1Cl 8076223 QXMMEVVSUSNXKP-UHFFFAOYSA-N 363.845 3.646 0 40 FHAB C[C@@H](NC(=O)CCCn1c(=O)oc2ccccc21)c1ccc(F)cc1F 8090454 HCEHPDMXYNHHDO-GFCCVEGCSA-N 360.360 3.530 0 40 FHAB COc1ccccc1O[C@H](C)C(=O)Nc1cccc(Br)c1 8496195 LHSVKEFJTQJLOW-LLVKDONJSA-N 350.212 3.864 0 40 FHAB Cc1cc(-c2ccccc2)[nH]c(=O)c1S(=O)(=O)c1ccc(Cl)cc1 8577828 WMKRKXOCIJXGEG-UHFFFAOYSA-N 359.834 3.837 0 40 FHAB aggregator O=C(COc1ccc(Br)cc1)Nc1nonc1-c1ccccc1 8869496 AWBODJSOLKIAQI-UHFFFAOYSA-N 374.194 3.517 0 40 FHAB CC(C)CNC(=O)CCc1ccc(NC(=O)CCc2ccccc2)cc1 8908454 OSOFQHSRLBZDGN-UHFFFAOYSA-N 352.478 3.963 0 40 FHAB COc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 8916029 WBCJZJZGBMNVPY-CQSZACIVSA-N 367.405 3.768 0 40 FHAB O=C1NC(c2ccc(Cl)cc2Cl)=N/C1=C/c1ccc2c(c1)OCO2 9332288 UJEPWCKGHTTXPG-WLRTZDKTSA-N 361.184 3.640 0 40 FHAB Cc1ccc(-c2nnc(S[C@H](C(=O)N(C)C)c3ccccc3)n2C)cc1 9500225 CLFBOMGHXBHRRQ-KRWDZBQOSA-N 366.490 3.712 0 40 FHAB CC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)s1 9512185 QTZMMGZEPPWQRR-CQSZACIVSA-N 357.431 3.699 0 40 FHAB COc1ccc(CNC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 10951434 GHZTUKGWGWNRCJ-UHFFFAOYSA-N 369.490 3.617 0 40 FHAB COc1cccc(C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)c1 11914168 WXNSTAXFZYGZLW-UHFFFAOYSA-N 353.378 3.785 0 40 FHAB CN(C)Cc1ccc(CN2[C@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)cc1 12344907 YFSKCODKLVXBBJ-AIZNXBIQSA-N 368.496 3.902 0 40 FHAB CC(=O)N1Cc2ccccc2O[C@]2(CCCN(CCc3ccccc3)C2)C1 12365382 HQJVSZRXLCSHRS-QHCPKHFHSA-N 364.489 3.505 0 40 FHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1ccc(N2CCOCC2)cc1 12602143 ANIQXWJGQDSJKQ-UIFIKXQLSA-N 374.525 3.939 0 40 FHAB Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)o1 12682413 ZDMFHMZHTOCOFM-UHFFFAOYSA-N 370.430 3.665 0 40 FHAB CCc1cccc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)c1 12772357 BWOQIRRAFOCOJY-UHFFFAOYSA-N 372.490 3.676 0 40 FHAB O=C(COc1ccc(Cl)cc1)NC[C@H](c1ccsc1)N1CCCC1 13011469 CFBIRPMDVROAEV-QGZVFWFLSA-N 364.898 3.734 0 40 FHAB CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2ccc[nH]2)o1 14094254 FAZRDPCECCHMRO-UHFFFAOYSA-N 368.871 3.530 0 40 FHAB Cn1c(-c2cccnc2)nn(CN2CCC[C@H]2c2ccccc2)c1=S 14159073 FXCXZPZYLYMUOD-KRWDZBQOSA-N 351.479 3.808 0 40 FHAB C[C@@H](NC(=O)c1ccc(NC(N)=O)cc1)c1cccc(C(F)(F)F)c1 14420020 OTYANVFNSRQWII-SNVBAGLBSA-N 351.328 3.687 0 40 FHAB CCOc1ccc2nc(SCCCn3c(=O)[nH]c4ccccc43)[nH]c2c1 15276019 GNFXWXUWDCKRJQ-UHFFFAOYSA-N 368.462 3.787 0 40 FHAB CC(C)n1ncc2cc(NC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)cnc21 17574424 BNJGPDUKOIEWBX-INIZCTEOSA-N 356.813 3.608 0 40 FHAB C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)N[C@H](C)Cc1ccccn1 19456988 PILYLAIVUQJPJL-OLZOCXBDSA-N 352.356 3.615 0 40 FHAB CCN1CCC[C@H]1CN(Cc1ccncc1)Cc1c(OC)cccc1OC 19527212 HYBAWURYOAXLAY-IBGZPJMESA-N 369.509 3.585 0 40 FHAB O=C(CCc1nc2ccccc2[nH]1)NCc1cccc(N2CCCCC2)c1 19717769 OUMFEOPYEIUDDQ-UHFFFAOYSA-N 362.477 3.802 0 40 FHAB CCC[C@@H](C)NC(=O)c1cnc2scc(-c3ccc(C)cc3)n2c1=O 20581774 FKCSOADKEZSLRV-CYBMUJFWSA-N 355.463 3.650 0 40 FHAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cnc2ccccc2c1 21136353 IIOWJFXBZKFQPF-UHFFFAOYSA-N 374.849 3.691 0 40 FHAB CS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)c2ccccc2)c1 21320631 LKGRJJJNKDCPJS-UHFFFAOYSA-N 365.454 3.937 0 40 FHAB Cc1cccc(NC(=O)CCn2cnc3c([nH]c4ccc(C)cc43)c2=O)c1 23125595 VWRYZDQPNXIUIS-UHFFFAOYSA-N 360.417 3.523 0 40 FHAB Cc1nc(NC(=O)CCc2ccco2)sc1-c1nccn1C(F)F 24968438 ZFDFDQKEJGNUJT-UHFFFAOYSA-N 352.366 3.874 0 40 FHAB Cc1cc(OCC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc(C)c1Cl 28289218 LRHJMUKTXUHEDU-LBPRGKRZSA-N 374.824 3.694 0 40 FHAB COc1ccc(Cn2nccc2NC(=O)COc2cc(C)cc(C)c2)cc1 28293651 SCFQKFHCTNLTAX-UHFFFAOYSA-N 365.433 3.574 0 40 FHAB COC(=O)c1ccc(NC(=O)c2cc(Br)ccc2F)c(C)c1 29702206 LNLLTRKJLMCBSS-UHFFFAOYSA-N 366.186 3.936 0 40 FHAB COc1cc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc(OC)c1C 31496708 IRRYAZDJVKSFBX-UHFFFAOYSA-N 354.410 3.590 0 40 FHAB C[C@@H]1CCN(C(=O)C2CCN(C(=O)c3ccoc3)CC2)c2ccccc21 31780893 LIBZBLZCMYFWKY-OAHLLOKOSA-N 352.434 3.672 0 40 FHAB Cc1cccc(Cn2nc(C)c(NS(=O)(=O)Cc3ccccc3)c2C)c1 32610607 VLQQLJQVTXZIQV-UHFFFAOYSA-N 369.490 3.799 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 32768751 BZGXZVKOAMIPPB-XOBRGWDASA-N 374.444 3.704 0 40 FHAB C[C@H]1CO[C@H](C)CN1C(=O)/C=C/c1ccc(OCc2ccccc2)cc1 32801618 ISTMTRNLBWPCDX-WOKGBUJHSA-N 351.446 3.915 0 40 FHAB O=C(CCCc1nnc(-c2ccccc2)o1)NCC1(c2ccccc2)CC1 32924248 HOVGITINTUZKAF-UHFFFAOYSA-N 361.445 3.907 0 40 FHAB COc1ccccc1[C@H](OC(=O)c1ccco1)C(=O)NCc1ccccc1 35289855 BEJUSOHIZVVZSP-IBGZPJMESA-N 365.385 3.503 0 40 FHAB CCn1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)n1 36615932 MNJUIIMKZXQWPW-UHFFFAOYSA-N 360.421 3.587 0 40 FHAB COc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C)c3cnn(C)c3n2)cc1 36616909 JAQCVSRQVCEJPY-AWEZNQCLSA-N 364.449 3.659 0 40 FHAB CCc1ccc([C@@H](C)NC(=O)COc2cccc(NC(=O)C3CC3)c2)cc1 40079548 LJHDRXNKYKRTIU-OAHLLOKOSA-N 366.461 3.854 0 40 FHAB Cc1ccc(C(=O)Nc2c(O)nc3nc4ccccc4n3c2Cl)cc1 41155016 RDSBSECDHAMKQH-UHFFFAOYSA-N 352.781 3.802 0 40 FHAB C[C@@H](NS(=O)(=O)c1ccccc1Cl)c1cccc(OC(F)F)c1 46035881 JNAKSGSEYYAHOW-SNVBAGLBSA-N 361.797 3.981 0 40 FHAB COc1ccc(/C=C/C(=O)NCc2cccc(OC(C)C)c2)cc1OC 46656080 PGWWZIFPFTYBOC-PKNBQFBNSA-N 355.434 3.821 0 40 FHAB Cc1ccc(-n2ncc(C(=O)NCc3cn4ccccc4n3)c2C(C)C)cc1 47431056 JLGXHFPNWIRWNX-UHFFFAOYSA-N 373.460 3.882 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 47715230 SZWKAHQRYOGKGK-HNNXBMFYSA-N 374.431 3.513 0 40 FHAB COc1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)cs2)cc1 49547224 WFGMXXAZWFFQJG-UHFFFAOYSA-N 350.421 3.521 0 40 FHAB C[C@@H](Cn1cccn1)NC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl 52665751 GCTMCBBEPRHWTP-WDEREUQCSA-N 358.294 3.875 0 40 FHAB O=C1OCC[C@H]1NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 57293264 IYPVYUWXWJFWSS-HNAYVOBHSA-N 354.837 3.858 0 40 FHAB C[C@H]1CN(C(=O)CNc2ccccc2Oc2ccccc2Cl)CCO1 57866524 NDKSUYPCBCKMCY-AWEZNQCLSA-N 360.841 3.792 0 40 FHAB Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccc(-n2ccnc2)cc1 57996946 KKIXKQCRUVUSCU-UHFFFAOYSA-N 372.428 3.695 0 40 FHAB COc1ccc(CC(=O)Nc2ccc3nc(N(C)C)ccc3c2)cc1F 58003114 QODFLLATOLEDRC-UHFFFAOYSA-N 353.397 3.630 0 40 FHAB Cc1cc(N2CCC[C@H]2CN(C)c2ccccc2)nc(-c2cccnc2)n1 58156828 WDLORNHDKVDCHA-FQEVSTJZSA-N 359.477 3.952 0 40 FHAB Oc1ccc(N2CCN(Cc3cc4ccccc4nc3Cl)CC2)cc1 58159594 SYUYFORBVLODJT-UHFFFAOYSA-N 353.853 3.916 0 40 FHAB O=c1c(Cl)c(NCc2ccco2)cnn1-c1ccc(C(F)(F)F)cn1 58303981 RHCRXLUZCQWLDW-UHFFFAOYSA-N 370.718 3.505 0 40 FHAB COc1ccc2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC(=O)N4)[nH]c2c1 58423863 YVMAIXCZMFMUEU-LBPRGKRZSA-N 363.417 3.552 0 40 FHAB COc1cc(CC(=O)O[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc(OC)c1OC 60392353 YMHLHGWVTOAYOR-OJLVUWQFSA-N 362.466 3.869 0 40 FHAB COc1cc(CN[C@H]2CCC[C@@H](C)[C@H]2C)ccc1OCC(=O)N1CCCC1 60816737 XLTHLDILRPMXCA-LMMKCTJWSA-N 374.525 3.611 0 40 FHAB Cc1cc(N2CCN(C3CC3)CC2)c2cccc(OC(F)(F)F)c2n1 72286874 YVAPYIVGQFESFA-UHFFFAOYSA-N 351.372 3.726 0 40 FHAB CCOc1ccccc1O[C@H]1CCC[C@H]1NC(=O)c1c[nH]c(C(C)C)n1 72304279 FBPUJQCGBLDGML-ZBFHGGJFSA-N 357.454 3.662 0 40 FHAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]1c1ccnc(-c2ccccc2)n1 72355863 BKFVKIZFVWRWJV-HXUWFJFHSA-N 369.428 3.997 0 40 FHAB C[C@@H]1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)C[C@H]1O 89408339 GUKZESARNSQDFC-DGCLKSJQSA-N 358.488 3.868 0 40 FHAB O=S(=O)(c1cccs1)N1CCC(Cn2ccc3ccccc32)CC1 90608803 OPPJLZMPELPKFF-UHFFFAOYSA-N 360.504 3.804 0 40 FHAB CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1ccc(-n2cccn2)cc1 95463167 FVFQEIWXNQPWLQ-LIRRHRJNSA-N 353.397 3.517 0 40 FHAB Cc1ccc(N2C(=O)C[C@@H](Nc3ccc(Br)cc3)C2=O)c(C)c1 95915143 BSHVVOFRRMNUNW-OAHLLOKOSA-N 373.250 3.810 0 40 FHAB Cc1ccc(CN2CCC3(CC2)CCN(C(=O)c2cccnc2)C3)s1 96046567 QDAXJSCELZUNOC-UHFFFAOYSA-N 355.507 3.580 0 40 FHAB Cc1cc(F)cc(NS(=O)(=O)c2ccc(Br)cc2F)c1 96171000 CIUYPLNDFXKPII-UHFFFAOYSA-N 362.195 3.837 0 40 FHAB O=C(COc1cccnc1Cl)N1N=C(c2ccco2)C[C@@H]1c1ccco1 97576671 NBAPRMRUOYEZTF-CYBMUJFWSA-N 371.780 3.678 0 40 FHAB O=C(NC[C@H]1CCCN1c1nccs1)c1ccccc1C(F)(F)F 206778180 YVXSLSOJFHYNDW-LLVKDONJSA-N 355.385 3.561 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 222959800 IGGSGPJPWZPCNH-LJQANCHMSA-N 372.896 3.826 0 40 FHAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 223058296 ZPTXOZBAZKSKKW-LJQANCHMSA-N 372.896 3.744 0 40 FHAB CCCSc1nnc(NS(=O)(=O)Cc2ccccc2Cl)s1 223103174 QQDPDPIEDNAUNS-UHFFFAOYSA-N 363.917 3.636 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C 223725975 WIPMYLKYBSQXBH-INIZCTEOSA-N 372.896 3.744 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1C 223887541 KHWIQJUJQQFMNR-KRWDZBQOSA-N 370.468 3.620 0 40 FHAB CCOc1ccc(-c2noc(CNC(=O)Cc3ccc(C)cc3C)n2)cc1 224787542 RRUFITMPXDYHHR-UHFFFAOYSA-N 365.433 3.611 0 40 FHAB CC[C@@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(OC)cc1 225490720 HBCSLLKCRZOSBW-GOSISDBHSA-N 371.506 3.835 0 40 FHAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(Cc2ccc(Cl)cc2F)CC1 225576940 IZFVSTLWSVWYOC-MUKKUYKPSA-N 364.892 3.996 0 40 FHAB COc1ccc(NC(=S)NC2(c3cccnc3)CCCC2)cc1OC 225849982 QABJKDRYGMHWRO-UHFFFAOYSA-N 357.479 3.855 0 40 FHAB Cc1cncc(C(=O)N2CC[C@@H]3[C@H]2CCCCCN3C(=O)OC(C)(C)C)c1 257228770 FVDUHVLZFGAODJ-QZTJIDSGSA-N 373.497 3.784 0 40 FHAB CCc1n[nH]c(C(=O)N2C[C@H]3[C@@H](Oc4ccc(Cl)cc4)CC[C@H]3C2)c1C 257298350 RLHZLJNXIXSBKF-XCRHUMRWSA-N 373.884 3.864 0 40 FHAB Cc1ccc(F)c(CC(=O)N2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1 517507554 ITEYORBCJKJLBQ-DLBZAZTESA-N 373.428 3.665 0 40 FHAB Cc1cccc(-c2cccc(CNC(=O)c3nc(=O)c4ccccc4[nH]3)c2)c1 524216511 AIOUNSCKGLDORK-UHFFFAOYSA-N 369.424 3.829 0 40 FHAB O=S(=O)(Cc1nc(C2Cc3ccccc3C2)no1)c1ccc(Cl)cc1 544526277 IUJLSONOMVQLLV-UHFFFAOYSA-N 374.849 3.579 0 40 FHAB C[C@@H](c1ccsc1)N1CCN(C(=O)c2cnc3ccsc3c2)CC1 545202898 XOEGOWYWBXQMQR-ZDUSSCGKSA-N 357.504 3.877 0 40 FHAB Cc1ccc(CN2CCc3oc(C(=O)N4C[C@@H](C)C[C@H](C)C4)nc3C2)cc1 585112528 RAKYHVAXVBSILB-IRXDYDNUSA-N 367.493 3.659 0 40 FHAB Fc1ccc(OCCN2CCOCC2)c(Oc2cccc(Cl)c2)c1 585266177 FOZNSHOODRTVSK-UHFFFAOYSA-N 351.805 3.982 0 40 FHAB O=C(NCC12CC(C(=O)O)(C1)C2)OCC1c2ccccc2-c2ccccc21 616578767 PYSTYCGRHGQIPE-UHFFFAOYSA-N 363.413 3.780 0 40 FHAB Cc1cc(NC(=O)N2CCC[C@H](c3ccc(F)c(F)c3)C2)cc(C(N)=O)c1 626577617 FIJHFULSPZEETC-AWEZNQCLSA-N 373.403 3.784 0 40 FHAB Cc1nc([C@@H]2CCOC2)sc1C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 633194544 MZHZNOWSHHUVRL-IIAWOOMASA-N 360.454 3.771 0 40 FHAB CCOc1ccccc1[C@@H](CC(C)C)NC(=O)N1CC[C@H](O)C(F)(F)C1 664290741 FQZYTVXQXMONKS-WBVHZDCISA-N 370.440 3.584 0 40 FHAB Cc1ccc(-n2ncc(NC(=O)c3csc(-c4ncc[nH]4)n3)c2C)cc1 1527202380 XQDYDUKQWWKWAP-UHFFFAOYSA-N 364.434 3.588 0 40 FHAB CN(C)Cc1c(C(=O)NCc2cc(O)ccc2Cl)oc2ccccc12 1651047288 VHOLHBJWPLWXLE-UHFFFAOYSA-N 358.825 3.783 0 40 FHAB CCc1cc(OCC2CCN(c3nc4ccccc4o3)CC2)nnc1C 1888913261 OGDXARBYAYDXLZ-UHFFFAOYSA-N 352.438 3.784 0 40 FHAB CC1CCN(C(=O)c2cccc(Cn3cc(Br)cn3)c2)CC1 998030 JTAJMIZQWOCLTK-UHFFFAOYSA-N 362.271 3.566 0 40 FHAB Cc1cccc(C)c1OCC(=O)NC1CCN(c2cccc(F)c2)CC1 78839456 DBSGIBMBLIMQRP-UHFFFAOYSA-N 356.441 3.607 0 40 FHAB CC(C)(C)OC(=O)[C@H]1CC[C@H](C(=O)OC(C)(C)C)N1Cc1ccccc1 43224414 BDTOBCOZJBFZED-IAGOWNOFSA-N 361.482 3.703 0 40 FHAB O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)OC1CCCCC1 4130149 QAFOOYYTWVDPJE-UHFFFAOYSA-N 360.414 3.613 0 40 FHAB O=C(Oc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1)c1cccs1 4553578 QQQMANFNRIBDGQ-OGRXGRENSA-N 367.426 3.503 0 40 FHAB Cc1nc(-c2ccc(NC(=O)NCCCCn3ccnc3)cc2)cs1 56574963 OQVJMSUTEALNKX-UHFFFAOYSA-N 355.467 3.917 0 40 FHAB CCOc1ccccc1NC(=O)N1CCC(NC(=O)C2CCCCC2)CC1 4888434 ZRSZTYGFPFMSMG-UHFFFAOYSA-N 373.497 3.778 0 40 FHAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1cc(Br)ccc1F 12535743 PWGWQKLMJMXVRD-UHFFFAOYSA-N 362.202 3.737 0 40 FHAB COCCNC(=O)c1ccccc1NCc1cc2ccccc2nc1Cl 26222074 YZLDCAYAWATLQY-UHFFFAOYSA-N 369.852 3.877 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)cc1 6788883 RFHFDCFNTLWJGA-UHFFFAOYSA-N 360.797 3.712 0 40 FHAB COc1ccc(CN(C)C(=O)c2ccccc2Br)cc1OC 7304791 CRHRLZWDQDBJQY-UHFFFAOYSA-N 364.239 3.739 0 40 FHAB COc1ccc(CNC(=O)CNC(c2ccccc2)c2ccccc2)cc1 57363052 WIOVCINFKDFXGD-UHFFFAOYSA-N 360.457 3.691 0 40 FHAB Cc1cc(SC[C@@H](NC(=O)c2ccccc2)C(=O)O)c2ccccc2n1 12528166 VNFZQLBRGJZAMR-QGZVFWFLSA-N 366.442 3.519 0 40 FHAB CSc1nc(C(=O)N2CCC[C@H](O)c3cc(F)ccc32)c2ccccn12 96011725 IHXLPXJUUBMSDD-INIZCTEOSA-N 371.437 3.669 0 40 FHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2C)cc1C 8415952 MABBQEQSPJEOFX-UHFFFAOYSA-N 368.433 3.512 0 40 FHAB COc1ccc(NC(=O)c2c3c(nc4onc(C)c24)CCC3)cc1Cl 35686443 ZLVADGZURGFJGE-UHFFFAOYSA-N 357.797 3.934 0 40 FHAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1(C)C 27025782 LNGULHBELAXTMF-IRXDYDNUSA-N 353.466 3.661 0 40 FHAB COc1ccc(OC)c(C(=O)CSc2nc(-c3cccs3)n[nH]2)c1 12599388 UFEMURLTOYNDSO-UHFFFAOYSA-N 361.448 3.525 0 40 FHAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCCCCn1ccnc1 58168923 CFPWRBCAHDXREG-LBPRGKRZSA-N 356.253 3.554 0 40 FHAB Cc1ccccc1OCC(=O)NC[C@H](c1cccs1)N1CCCCC1 27663924 GDFAWUPTAPFXKQ-QGZVFWFLSA-N 358.507 3.779 0 40 FHAB Cc1ccccc1CCNS(=O)(=O)Cc1ccccc1C(F)(F)F 58244254 LXTCSZRSTPKHCD-UHFFFAOYSA-N 357.397 3.676 0 40 FHAB CCc1ccccc1NCC(=O)Nc1cc(Cl)ccc1-n1cncn1 12565223 ABLTWVOUMAZWDM-UHFFFAOYSA-N 355.829 3.534 0 40 FHAB CS(=O)(=O)c1ccc(C(=O)Nc2cnccc2Oc2ccccc2)cc1 58369935 DHHREOVBPPWHQX-UHFFFAOYSA-N 368.414 3.530 0 40 FHAB O=C(Nc1ccc(Oc2ncccn2)cc1)C(=O)c1ccc2c(c1)CCC2 58414019 PTEVZWRGYUMOEE-UHFFFAOYSA-N 359.385 3.579 0 40 FHAB CCCCCn1c(N)c(C(=O)O[C@H](C)COC)c2nc3ccccc3nc21 2239548 LPFYNAFQQCAADQ-CYBMUJFWSA-N 370.453 3.549 0 40 FHAB O=C(NC1=NC(=O)[C@@](F)(C(F)(F)F)S1)Nc1ccc2ccccc2c1 2282718 SGORFDQCBSUHEF-AWEZNQCLSA-N 371.315 3.819 0 40 FHAB CN1C(=O)c2ccc(NC(=O)c3cc4cc(Cl)ccc4o3)cc2C1=O 28245697 ZBVCIGIZRSTVRS-UHFFFAOYSA-N 354.749 3.564 0 40 FHAB O=C(COc1ncnc2scc(-c3ccccc3)c12)NCc1ccco1 3289546 IBMFPIUTIMWWDQ-UHFFFAOYSA-N 365.414 3.647 0 40 FHAB COc1ccccc1-n1nnc(C(=O)Nc2ccc(C)c(Cl)c2)c1C 2713256 UMQBLNWTGLJTEW-UHFFFAOYSA-N 356.813 3.798 0 40 FHAB O=C(CSc1nnc(Nc2ccccc2F)s1)NCc1ccccc1 3237754 SZTRQJSQFXXPPH-UHFFFAOYSA-N 374.466 3.829 0 40 FHAB COc1ccc(NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)cc1 12773305 BDQCTSWFPGHLNL-UHFFFAOYSA-N 351.402 3.990 0 40 FHAB COc1cc(/C=C/C(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)cc(OC)c1 12782557 QZLDMCXBXIGAAP-APPUJDCNSA-N 357.372 3.954 0 40 FHAB Cc1nc(C(=O)Nc2nc3c(s2)CCCCC3)nn1-c1ccc(F)cc1 12829240 OMKTVROEPGTXOE-UHFFFAOYSA-N 371.441 3.693 0 40 FHAB Cc1nn(CC(C)C)c2sc(C(=O)N3CC(=O)Nc4ccccc43)cc12 12887622 QUYYGJINHVMDJC-UHFFFAOYSA-N 368.462 3.661 0 40 FHAB COc1ccc(-n2nnnc2SCc2c(F)cccc2Cl)cc1 3478401 LGYLBAMWUFNJEW-UHFFFAOYSA-N 350.806 3.756 0 40 FHAB CC(C)[C@H](C)NC(=O)CSc1nnc(Nc2ccccc2F)s1 3417789 DAULWCBRONESSK-JTQLQIEISA-N 354.476 3.674 0 40 FHAB C[C@H]1CCc2sc(C(=O)OCC(=O)Nc3ccc(F)cc3F)cc2C1 3445477 VLNUKRKSQQOZFZ-JTQLQIEISA-N 365.401 3.947 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C)c(Cl)c1 3558965 TZQRNMMGRHFYBJ-UHFFFAOYSA-N 362.842 3.768 0 40 FHAB CC(C)Cc1ccc([C@@H](C)N[C@H](C)C(=O)NC(=O)NC2CCCC2)cc1 28877803 AIJWKZCRCIIXAR-HZPDHXFCSA-N 359.514 3.693 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 4141593 QJLWPWJTQRQIJE-UHFFFAOYSA-N 359.234 3.753 0 40 FHAB O=C(NCCCC(=O)N1CCC[C@@H]1c1cccs1)NC1CCCCC1 39551160 XKDGJFBRVTZNSI-MRXNPFEDSA-N 363.527 3.824 0 40 FHAB CC(=O)c1cccc(NC(=O)COC(=O)c2cc3ccccc3s2)c1 5087403 ZVRNIEGHYDSYFY-UHFFFAOYSA-N 353.399 3.899 0 40 FHAB CCOC(=O)/C=C/c1ccc(NC(=O)CCc2cc(C(C)=O)c(C)o2)cc1 9337216 OXZIOTVOXACUQD-KPKJPENVSA-N 369.417 3.938 0 40 FHAB Cc1ccccc1OCCCCn1nnc2sc3c(c2c1=O)CCCC3 5183249 DPBKQNRUVKHGRG-UHFFFAOYSA-N 369.490 3.899 0 40 FHAB COc1c(Cl)cc(C(=O)Nc2cccc(OCC(=O)O)c2)cc1Cl 13955202 DJKZIKUASRDGDK-UHFFFAOYSA-N 370.188 3.718 0 40 FHAB C[C@@H](OC(=O)c1cccc(Oc2ccccc2)c1)C(=O)NCc1ccco1 6485635 LKMXWBCRJBTSHZ-OAHLLOKOSA-N 365.385 3.934 0 40 FHAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)COc1ccccc1 96224053 HHVQCRYBZWYYLP-IBGZPJMESA-N 350.418 3.749 0 40 FHAB CC(C)CNC(=O)c1ccc(Cl)c(NC(=O)COc2ccccc2)c1 4659753 LIGQWTNTXOIJAP-UHFFFAOYSA-N 360.841 3.743 0 40 FHAB COc1cccc(-c2noc(CCC(=O)Nc3ccc(C)c(C)c3)n2)c1 5576881 LRRRTPYUFQEXRW-UHFFFAOYSA-N 351.406 3.933 0 40 FHAB COc1cc(C(=O)OCc2ccc(F)cc2Cl)cc(OC)c1OC 6639996 NJXRRIZJWDGHSZ-UHFFFAOYSA-N 354.761 3.862 0 40 FHAB CCC(=O)Nc1cccc(C(=O)Nc2nc3ccc(OC)cc3s2)c1 4731901 UWQUUHWIBWOYOL-UHFFFAOYSA-N 355.419 3.906 0 40 FHAB CSc1ccc(S(=O)(=O)NCC2(c3ccncc3)CCCC2)cc1 95465316 RJORJWMIKXKFMF-UHFFFAOYSA-N 362.520 3.594 0 40 FHAB COc1ccc(CC(=O)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)cc1 20137336 OJMKISZIVKAINS-UHFFFAOYSA-N 367.401 3.637 0 40 FHAB CCC(CC)NC(=O)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 5864598 JYOYTNNQYPMJIU-UHFFFAOYSA-N 368.890 3.531 0 40 FHAB CCc1ccc(C(=O)OCC(=O)NCc2ccc(C(F)(F)F)cc2)cc1 67197890 WGSNMGVWNOMWSM-UHFFFAOYSA-N 365.351 3.741 0 40 FHAB O=C(NCCCn1cccc1)c1cc(-c2cccnc2)nc2ccccc12 72402667 WGWMLAHICYUHLB-UHFFFAOYSA-N 356.429 3.918 0 40 FHAB Cc1ccc(-c2cc3c(SCC(=O)N4CCCC4)nccn3n2)cc1C 67289672 OWHXSSNJYJDDGU-UHFFFAOYSA-N 366.490 3.728 0 40 FHAB CCCn1c(O)c(C(=O)NCc2ccc(Cl)cc2)c(=O)c2ccccc21 5904445 MOBMMKNTXXZPBB-UHFFFAOYSA-N 370.836 3.701 0 40 FHAB CCCC(=O)Nc1ccc(C(=O)COC(=O)c2sc(C)nc2C)cc1 7090809 NVYWSEBBXCTNFN-UHFFFAOYSA-N 360.435 3.538 0 40 FHAB O=C(N[C@@H]1CCCc2occc21)c1nnn(-c2ccc(F)cc2)c1C1CC1 84421904 YQZNRDWEDGWOBE-MRXNPFEDSA-N 366.396 3.684 0 40 FHAB COc1ccc2c(CNc3ccc4c(c3)OC(F)(F)O4)cc(=O)oc2c1 7251564 NPXUOCUXJIVCJD-UHFFFAOYSA-N 361.300 3.735 0 40 FHAB C[C@@H](C(=O)NCc1ccccc1F)n1c(-c2cccs2)n[nH]c1=S 9530707 IVKVLDSEDFQVIS-JTQLQIEISA-N 362.455 3.686 0 40 FHAB O=C(CN1CCC[C@H]1c1cccs1)Nc1ccc(N2CCCC2=O)cc1 7363205 IGVVWQVRODPFIH-KRWDZBQOSA-N 369.490 3.651 0 40 FHAB O=C(COC(=O)[C@@H]1CC=CCC1)N[C@@H](c1ccccc1)c1cccs1 7468319 WCUQDDIHCLSRQZ-APWZRJJASA-N 355.459 3.853 0 40 FHAB Cc1csc2nc(CN[C@H]3c4cccc(F)c4CC[C@H]3C)cc(=O)n12 95462626 SWGYQQLKCZHSOQ-ADLMAVQZSA-N 357.454 3.617 0 40 FHAB Cc1nc(-c2cccc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)c2)cs1 8075988 YERPGFKXILDVLL-SFHVURJKSA-N 364.426 3.839 0 40 FHAB O=C(C[C@@H]1C=CCC1)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 8050216 AWROGRPJABMTIZ-CQSZACIVSA-N 374.437 3.921 0 40 FHAB COc1ccc(O[C@@H](C)C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1 8160950 KKZSASAAFNHRIB-MGPUTAFESA-N 371.433 3.659 0 40 FHAB COc1ccc(C)cc1[C@H](C)NC(=O)C[C@H]1Sc2ccccc2NC1=O 8128823 OUKKJWWGDULRPM-SCLBCKFNSA-N 370.474 3.684 0 40 FHAB O=C(Cc1c(F)cccc1Cl)NCc1ccc(Cn2cccn2)cc1 9690031 WOKHXHOUXPMZHV-UHFFFAOYSA-N 357.816 3.583 0 40 FHAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccccc1C(=O)O 8714931 CSZJEAPRFXVWRE-UHFFFAOYSA-N 369.826 3.546 0 40 FHAB C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccccc1N1CCCCCC1 84098339 BMSPFSCZPVWOJB-MSOLQXFVSA-N 360.498 3.980 0 40 FHAB CC[C@@H](C)c1ccccc1NC(=O)Cc1csc(N2CCCC2=O)n1 8938264 ZLEBUSHZZWWLNB-CYBMUJFWSA-N 357.479 3.965 0 40 FHAB COC(=O)c1cccc(NC(=O)c2cc(F)ccc2Br)c1 9049096 DFUHRTAKGLQBDM-UHFFFAOYSA-N 352.159 3.627 0 40 FHAB CCN(CC(=O)NC(C)(C)C)C(=O)c1sc(-c2ccsc2)nc1C 23200183 RSRFIZWHIJQACS-UHFFFAOYSA-N 365.524 3.557 0 40 FHAB COc1cccc(NC(=O)N2CCC[C@@H](C(=O)N[C@H]3CCCC[C@H]3C)C2)c1 35312898 OASMZMFZFUKDCS-MDZRGWNJSA-N 373.497 3.634 0 40 FHAB CN1CCC(NC(=S)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)CC1 63150054 ZMFUBZCTVLOKOU-UHFFFAOYSA-N 372.365 3.927 0 40 FHAB CC(C)c1nccn1-c1nccnc1[C@H]1CCCN(C(=O)C2CCCC2)C1 72350669 HJMDQYOOWPDSTN-KRWDZBQOSA-N 367.497 3.682 0 40 FHAB O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1c(F)cccc1Cl 70639943 BDIJCXHTCZSFBA-ZDUSSCGKSA-N 361.722 3.961 0 40 FHAB Cc1cc(NC(=O)CSc2ncccc2-c2nc3ccccc3[nH]2)no1 35315026 PQEFWBGOSWPFCV-UHFFFAOYSA-N 365.418 3.652 0 40 FHAB CCc1sc(-n2cccc2)nc1C(=O)Nc1ccc(C(=O)OC)cc1 1565524394 LTUMEEXRLKCVHG-UHFFFAOYSA-N 355.419 3.535 0 40 FHAB CC(=O)c1c(C(C)=O)c(C)n(-c2ccc(Br)cc2O)c1C 72406237 OVOUEYWYIUGUPU-UHFFFAOYSA-N 350.212 3.967 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2[C@@H](c3ccccc3)n3ncnc3N[C@@H]2C)c(C)c1 36701516 JMRCVXZLNOMVQX-AYOQOUSVSA-N 361.449 3.553 0 40 FHAB COC(=O)COc1ccccc1[C@@H]1CC(=O)Nc2c1ccc1ccccc21 36612580 SUTNCOUMZSJEOW-SFHVURJKSA-N 361.397 3.866 0 40 FHAB CC(C)(C)OC(=O)C[C@@H]1C[C@H](COCc2ccccc2)OC(C)(C)O1 211932386 NPZGRQGZMVLHLI-DLBZAZTESA-N 350.455 3.845 0 40 FHAB Cc1noc(C2CC2)c1NC(=O)N1CC[C@]2(CC(=O)c3ccccc3O2)C1 562790701 VTDGVWLTPJTCSD-FQEVSTJZSA-N 367.405 3.502 0 40 FHAB Cc1cc(C)nc(SCc2ccc(C(=O)NCc3ccccc3)o2)n1 79474723 OETMLFAYDOWMJM-UHFFFAOYSA-N 353.447 3.909 0 40 FHAB Cc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(C)cc3C)n2)c1 78579787 REYWGNPOIOXILL-INIZCTEOSA-N 365.433 3.746 0 40 FHAB CC(C)(C)c1ccc(/C=C/C(=O)NC[C@@H]2COc3ccccc3O2)cc1 225236276 MJYSIUSEQJAUJX-LVMGUKCRSA-N 351.446 3.954 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1-n1ccnc1C 44904649 UBDNOOFGAKXCDZ-FQEVSTJZSA-N 367.424 3.794 0 40 FHAB CCOC(=O)c1cccc(NC(=S)NCCCc2ccc(F)cc2)c1 225547947 BTRWSJBFGHCJSB-UHFFFAOYSA-N 360.454 3.922 0 40 FHAB O=C(NCc1ccnc(N2CCCCC2)n1)c1ccc(Cl)cc1Cl 224206510 JSBMTSXILNIMFG-UHFFFAOYSA-N 365.264 3.704 0 40 FHAB C[C@H](SCc1ccccc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 43848598 HYRNKKYBUQVFIP-GJZGRUSLSA-N 357.475 3.957 0 40 FHAB COc1ccc(CNC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 225314865 CZFQCNLQBCBVOJ-UHFFFAOYSA-N 369.490 3.617 0 40 FHAB COc1cccc(OCCNC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 224422550 KSUZWICDGQDVSM-INIZCTEOSA-N 357.450 3.781 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCSc1ccccc1 223505625 GXODQLIRIHEZQS-KRWDZBQOSA-N 370.518 3.722 0 40 FHAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1 224873563 OFWRSNRFSUWQNA-UHFFFAOYSA-N 366.339 3.674 0 40 FHAB COc1ccccc1-c1cc(C(=O)Nc2ccc(C(F)(F)F)nc2)n[nH]1 95473233 SYDBZDMVWGZXHS-UHFFFAOYSA-N 362.311 3.751 0 40 FHAB Cc1ccsc1CN1CCC2(CC1)C[C@H](OCc1cccnc1)CO2 96106778 WOTYUTFDFRUPTO-SFHVURJKSA-N 358.507 3.792 0 40 FHAB CCCCN(CCCC)C(=O)c1cc2c(=O)n3cc(C)ccc3nc2n1C 96347391 QYKSXMGRWYLICN-UHFFFAOYSA-N 368.481 3.537 0 40 FHAB CCCCC[C@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCCCN(C)C)[C@@H](O)C[C@H]1O 583653025 VNLQPSLXSAMMMJ-MIVOTJBLSA-N 367.574 3.520 0 40 FHAB COc1ccccc1CNC[C@H]1Cn2cc(-c3ccc(C)cc3)nc2CO1 96296303 GULVBKVBEDAFLH-IBGZPJMESA-N 363.461 3.556 0 40 FHAB biogenic,in-vitro Cc1ccc(CN2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)o1 248100141 NRNMFJVMMBDKMM-RTWAWAEBSA-N 356.466 3.571 0 40 FHAB Cc1cc(Nc2ccccn2)cc(C2CCN(Cc3ccnn3C)CC2)n1 257324758 WQAOZUUZRUXCOC-UHFFFAOYSA-N 362.481 3.642 0 40 FHAB O=C(NC[C@@](O)(c1ccsc1)c1ccco1)c1ccc(Cl)s1 253472760 PGOWTQNSLIXETN-OAHLLOKOSA-N 353.852 3.722 0 40 FHAB CSCc1c(C(=O)N2CCC[C@]3(CCN(C)C3)C2)oc2ccccc12 597717109 ZALIWDDCEYOHOF-HXUWFJFHSA-N 358.507 3.854 0 40 FHAB COc1ccc2[nH]cc(CCNC(=O)Cn3ccc4cc(C)ccc43)c2c1 604419726 XBHOHHOCXSERGK-UHFFFAOYSA-N 361.445 3.799 0 40 FHAB CC(C)[C@H](CNC(=O)c1cc(C(F)(F)F)cnc1O)Nc1ccccc1 639476347 DFOXCBVVNCVAKQ-HNNXBMFYSA-N 367.371 3.673 0 40 FHAB Cc1cc(C)cc(-n2nc(C)cc2NC(=O)c2ccc3c(c2)COCO3)c1 73127535 STMLNQAMTPHKRQ-UHFFFAOYSA-N 363.417 3.916 0 40 FHAB COc1ccc(C(=O)N(C)C)cc1NC(=O)c1cccc(C(F)(F)F)c1 55840878 IOGRMTHEBAQLLA-UHFFFAOYSA-N 366.339 3.668 0 40 FHAB CO[C@H](CNC(=O)N1CCc2sccc2C1)c1cccc(Cl)c1 74871280 UIRWEOOGYRNPKH-OAHLLOKOSA-N 350.871 3.857 0 40 FHAB COc1ccc2onc(CC(=O)Nc3ccccc3CCSC)c2c1 601721425 LQOUCCHGJRYQIT-UHFFFAOYSA-N 356.447 3.923 0 40 FHAB Cc1ncncc1C(=O)N1CCC[C@@]12CN(c1ccc(F)cc1)C(C)(C)C2 1615119467 IKNFYOVFWBWGST-OAQYLSRUSA-N 368.456 3.588 0 40 FHAB Cc1ccc(N2C(=O)[C@@H](C)S[C@]23C(=O)Nc2ccc(Cl)cc23)cc1 5760072 YSSLFHRIMYVOBL-ADLMAVQZSA-N 358.850 3.922 0 40 FHAB Cc1sc2nc([C@H]3CCCN(C(=O)C4CCCC4)C3)nc(O)c2c1C 12157839 PYAZWTNNFGAKHD-AWEZNQCLSA-N 359.495 3.910 0 40 FHAB Cc1occc1-c1nc(N2C[C@H](C)O[C@@H](C)C2)ncc1-c1ccncc1 12222820 BXYCSBJPNBKDIQ-KBPBESRZSA-N 350.422 3.721 0 40 FHAB COc1ccc(-c2ccccc2CC2(C(=O)NC3CC3)CCOCC2)cc1 12231478 NGTDMQBGBSWIRL-UHFFFAOYSA-N 365.473 3.980 0 40 FHAB CC(=O)c1sc(C2CCN(C(=O)c3noc4c3CCCC4)CC2)nc1C 12750803 FAQHFFRYAJGJMY-UHFFFAOYSA-N 373.478 3.541 0 40 FHAB Cc1ccc(N2CCN(CC(=O)Nc3cccc(C)c3C)C[C@H]2C)cc1 14216278 NKXFFBLWMFVXMQ-GOSISDBHSA-N 351.494 3.761 0 40 FHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1cccc(Cl)c1 17305748 CILUAEBDXVUJAZ-CQSZACIVSA-N 369.856 3.552 0 40 FHAB CC[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(OC)cc1 18131497 UENFCDHUJADAOR-IBGZPJMESA-N 352.434 3.703 0 40 FHAB COc1ccc(CCC(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 169884490 ADHIFPDHVLNYOK-UHFFFAOYSA-N 371.824 3.648 0 40 FHAB CCc1nnc(S/C(=C\c2c(OC)ccc3ccccc23)C(=O)O)[nH]1 7342467 FMKPRLILJUJDKL-GDNBJRDFSA-N 355.419 3.747 0 40 FHAB CC(C)CC(=O)N1CCCCCCCN(C(=O)[C@@H](C)N)Cc2ccccc21 643588379 VTSXAUWBDIEQLW-GOSISDBHSA-N 373.541 3.706 0 40 FHAB Cn1ccnc1SCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 5137761 XROWFAVXNJNJTN-UHFFFAOYSA-N 359.451 3.583 0 40 FHAB COc1ccc(CCNC(=O)NC[C@H](OC)c2cc3ccccc3o2)cc1 244975169 IEUVYDMIWKOCRG-FQEVSTJZSA-N 368.433 3.671 0 40 FHAB C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)OC2CCCC2)CC1 2056225322 KWUAPPAZGICWES-AYOQOUSVSA-N 362.514 3.815 0 40 FHAB Cn1c(=O)c2c(c3ccccc31)OC(=O)C[C@@H]2c1ccccc1C(F)(F)F 1427616 YHZCGQNQJAZTII-CYBMUJFWSA-N 373.330 3.998 0 40 FHAB Cc1sc(NC(=O)[C@H]2COc3ccccc3O2)nc1-c1ccccc1 4088391 LWHNOXNPGJQTBK-MRXNPFEDSA-N 352.415 3.897 0 40 FHAB CCOc1ccc(NC(=O)c2cccn(Cc3ccccc3C)c2=O)cc1 5269146 XMQLCTOGNJYVEX-UHFFFAOYSA-N 362.429 3.856 0 40 FHAB COc1cccc(-c2nc3c(c(=O)[nH]2)Cc2cc(Cl)ccc2O3)c1OC 8568236 FMOCEVSWEROMHZ-UHFFFAOYSA-N 370.792 3.804 0 40 FHAB O=C(NCc1c(-c2ccccc2)nc2n1CCS2)c1ccc(F)cc1 17191481 DZSYPBVMQDBWOM-UHFFFAOYSA-N 353.422 3.725 0 40 FHAB COc1ccc([C@H]2CCN(C(=O)Nc3cccc(OC)c3OC)C2)cc1 38566820 IZIWJQUINAFDPH-HNNXBMFYSA-N 356.422 3.734 0 40 FHAB NC(=O)c1c(NC(=O)CCSc2ccccc2)sc2c1CCCC2 4167552 QQWNQKNDFKIZNX-UHFFFAOYSA-N 360.504 3.847 0 40 FHAB CCc1ccc(Cl)c(CC)c1NC(=O)Cc1nc2nc(C)cc(C)n2n1 40129170 DPHQHRFCHYNJKP-UHFFFAOYSA-N 371.872 3.701 0 40 FHAB CCN(Cc1cccc(NC(=O)c2oc3c(c2C)C(=O)CCC3)c1)C(C)=O 40133731 WPQCLWTYOSMBDW-UHFFFAOYSA-N 368.433 3.728 0 40 FHAB CN(C(=O)CCn1c(=O)oc2cc(Cl)ccc21)[C@@H]1CCc2ccccc21 30979389 CUGPGULCWPXDOV-MRXNPFEDSA-N 370.836 3.784 0 40 FHAB CCc1ccc(O[C@H](C)C(=O)Nc2noc(-c3ccc(F)cc3)n2)cc1 32624302 IHIPCPCLBTVMGP-GFCCVEGCSA-N 355.369 3.844 0 40 FHAB COc1cccc(Cn2nccc2NC(=O)/C=C/c2ccccc2)c1OC 21677758 YYJUTYOFAHALGS-VAWYXSNFSA-N 363.417 3.601 0 40 FHAB CCn1cnnc1-c1ccccc1NS(=O)(=O)c1c(C)cc(C)cc1C 32932374 CDOAGWAHVSYPKQ-UHFFFAOYSA-N 370.478 3.691 0 40 FHAB Cc1ccc2nc(C)cc(C(=O)OCc3nc(N)c4ccccc4n3)c2c1 21838978 GUFSRORYQQSFGO-UHFFFAOYSA-N 358.401 3.734 0 40 FHAB CC(=O)Nc1ccc(N[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)cc1 33040160 LECGDLIFOOXVPA-VBKZILBWSA-N 351.450 3.639 0 40 FHAB CSc1ccccc1NC(=O)CCN(C)Cc1ccc2c(c1)OCO2 54427351 BPRQCUBGOONTEX-UHFFFAOYSA-N 358.463 3.598 0 40 FHAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(C(C)C)cc2)cc1 24209451 WBJOMMIVOOGMPA-JOCHJYFZSA-N 366.505 3.922 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@H](NC(=O)c1ccccn1)c1ccccc1 3029313 PTIMGOIDHBMPAS-HXUWFJFHSA-N 359.429 3.808 0 40 FHAB C[C@@H](NC(=O)CNC(=O)NCc1ccccc1)c1cccc2ccccc12 24714481 RJNIAUBPAQOGBY-MRXNPFEDSA-N 361.445 3.516 0 40 FHAB Cc1occc1-c1nnc(SCC(=O)NC2CCCC2)n1CC(C)C 1361204 PERSNRQJTLOASS-UHFFFAOYSA-N 362.499 3.653 0 40 FHAB Cc1nn(C)c(C)c1C(=O)C(=O)N(Cc1ccccc1)[C@@H]1CCCC1(C)C 79022506 MKXRPNXIHOBERX-GOSISDBHSA-N 367.493 3.827 0 40 FHAB Cc1ccn2c(=O)nc(SCc3cccc(C(F)(F)F)c3)nc2c1 3134526 BMRVCZWRJSPVIR-UHFFFAOYSA-N 351.353 3.709 0 40 FHAB Cc1cccc2c(=O)n(CCCC(=O)N[C@H](C)CCCC(C)C)cnc12 25345823 FTXQGRGTKFDMGY-QGZVFWFLSA-N 357.498 3.816 0 40 FHAB COc1ccc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)cc1 6145725 YVNBMPLYROFYNT-UHFFFAOYSA-N 371.245 3.834 0 40 FHAB CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)C(C)(Cl)Cl)cc12 6246719 GRBQIUJTCVIMRK-UHFFFAOYSA-N 358.221 3.763 0 40 FHAB O=C(Nc1cccc(C(=O)N2CCC[C@H]2C2CCCC2)c1)[C@H]1CCCO1 56034709 JWYPWUBVWOYXIP-RBUKOAKNSA-N 356.466 3.599 0 40 FHAB CC1(C)Cc2cccc(OCCNc3nccc(C(F)(F)F)n3)c2O1 25576516 SNCPZVSAMQQCIK-UHFFFAOYSA-N 353.344 3.700 0 40 FHAB Cc1cc(I)cc(C)c1I 57326495 VOEUAVLLUTWZPZ-UHFFFAOYSA-N 357.960 3.513 0 40 FHAB O=C(NCCc1ccc2c(c1)OCO2)Nc1cccc(OC(F)(F)F)c1 44018010 VEFJGZRWWKHNDZ-UHFFFAOYSA-N 368.311 3.678 0 40 FHAB Cc1ccc(NC(=O)COc2cc(C)nc(N3CCCCC3)n2)c(Cl)c1 44168270 DGCOBJHRZZVRMG-UHFFFAOYSA-N 374.872 3.755 0 40 FHAB COc1cccc(C(=O)Nc2cccc(C(=O)N3CCC(C)CC3)c2)c1 8470133 RSOJVLDYNUTFQD-UHFFFAOYSA-N 352.434 3.820 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3OC)n[nH]2)c(OC)c1 57412901 DPRWRGFGZSVTHY-UHFFFAOYSA-N 367.405 3.663 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)[S@](=O)Cc2ccc(Cl)cc2Cl)no1 58175673 QXNPUCHBODFSKM-CLTRCRFRSA-N 361.250 3.566 0 40 FHAB Cc1ccc(-c2nsc(NC(=O)COCc3ccccc3Cl)n2)o1 58265683 PBLHWHQOAHTLJM-UHFFFAOYSA-N 363.826 3.915 0 40 FHAB CCOc1ccc(C(=O)Nc2cccc(NC(=O)OCCOC)c2)cc1 58201185 XEPMGLRHXAATKA-UHFFFAOYSA-N 358.394 3.533 0 40 FHAB Cc1ccc(OCc2nnc3sc(-c4cccc(N(C)C)c4)nn23)cc1 10311983 DVAMTORXXKACRE-UHFFFAOYSA-N 365.462 3.806 0 40 FHAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(OC)c(OC)c3)n[nH]2)cc1 51315420 BEGZGZVLGIWDHO-UHFFFAOYSA-N 367.405 3.745 0 40 FHAB COCCNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 2394964 IPJVPCQTIAPKPX-UHFFFAOYSA-N 356.495 3.985 0 40 FHAB O=C(Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1cccc(F)c1 2308299 KUTKIAUFLPAABT-UHFFFAOYSA-N 359.360 3.587 0 40 FHAB O=C1N[C@@H](c2ccc(OCc3cn4ccccc4n3)cc2)Nc2ccccc21 12524810 DXYXCBFASGCIOW-NRFANRHFSA-N 370.412 3.767 0 40 FHAB CC(=O)c1nnc(-c2cccs2)n1Nc1ccc(Br)cc1 36649153 OBMDNXZZAOHVKW-UHFFFAOYSA-N 363.240 3.847 0 40 FHAB O=C1CS[C@@H](c2ccc3c(c2)OCO3)c2cnn(C3CCCCC3)c2N1 2448572 GDBCZAYBLWQGBV-SFHVURJKSA-N 371.462 3.892 0 40 FHAB Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2c(C)nn(C)c2C)c1 12547709 KBFLBUVHNMWQFG-UHFFFAOYSA-N 369.494 3.570 0 40 FHAB O=C(O)CCn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc2c1=O 29737005 AMFHHZDWJWVNJH-JXMROGBWSA-N 354.793 3.695 0 40 FHAB CCc1ccccc1Nc1nc(N)nc(CN[C@H](C)c2cccs2)n1 12597712 KYKVZYJSZCKTQH-GFCCVEGCSA-N 354.483 3.672 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 47196130 GFCGZVZSKURRHL-MRXNPFEDSA-N 351.450 3.501 0 40 FHAB CCCN(CCC)C(=O)c1ccc(NC(=O)NCc2ccncc2)cc1 47599018 NNTGSCGTFPFTCQ-UHFFFAOYSA-N 354.454 3.666 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc2cccc(C)c2)cc1 3282247 SNHBPCANPSYFND-CVEARBPZSA-N 369.417 3.535 0 40 FHAB CC[C@H](OC(=O)c1c(C)nc2ccccc2c1C)C(=O)Nc1cc(C)on1 12600779 MROQUFNSVQJUFZ-INIZCTEOSA-N 367.405 3.722 0 40 FHAB COc1cccc(OC)c1C(=O)NCCCc1ccc(OC(C)C)cc1 10542358 QHQDUTKZVFRAHY-UHFFFAOYSA-N 357.450 3.854 0 40 FHAB Cc1cc(NC(=O)[C@H](C)N2CCC(c3c[nH]c4ccccc34)CC2)on1 12763317 UNXXBHCQNGXLHU-AWEZNQCLSA-N 352.438 3.671 0 40 FHAB Cc1cc(=O)[nH]c(-c2ccc(NC(=O)Cc3csc(C(C)C)n3)cc2)n1 48361477 UVLCMJKLWKCNIN-UHFFFAOYSA-N 368.462 3.506 0 40 FHAB O=C([C@@H]1C[C@H]1c1ccccc1)N1CCN(Cc2ccccc2Cl)CC1 27924411 JKHIEEJUWLBWRF-RBUKOAKNSA-N 354.881 3.788 0 40 FHAB C[C@H]1CN(Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)C[C@H](C)O1 12819519 MUSLEOHAUVDLFB-RYUDHWBXSA-N 365.886 3.658 0 40 FHAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccccc1F 3656287 PFSURTXYRMUCDF-UHFFFAOYSA-N 367.409 3.861 0 40 FHAB CCOc1ccc([C@H]2C[C@@H](c3cccc(OC)c3)Nc3ncnn32)cc1 13132070 IBYVMGIKGXBCNA-RBUKOAKNSA-N 350.422 3.832 0 40 FHAB CC[C@H](Sc1nnc(C)n1-c1ccc(C)cc1)C(=O)Nc1cc(C)on1 9368085 GPNNXGMUBLECQW-HNNXBMFYSA-N 371.466 3.690 0 40 FHAB O=C(COC(=O)c1cc2ccccc2[nH]1)Nc1ccccc1Br 5037229 FXRYNAKLBONXAI-UHFFFAOYSA-N 373.206 3.726 0 40 FHAB Cc1ccc(/C=C(\C(=O)N(C)CCc2ccccc2)n2ccccc2=O)cc1 13940940 KTGGADQWOXNJCS-RELWKKBWSA-N 372.468 3.856 0 40 FHAB Cc1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)c(C)c1 14086361 NTRJFBGTOBBPAR-UHFFFAOYSA-N 372.490 3.730 0 40 FHAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1=O 14093770 YMZOMJZZHMQICO-FQEVSTJZSA-N 359.470 3.592 0 40 FHAB O=C(CCNC(=O)c1ccc(F)cc1)O[C@H]1CCCC[C@H]1C(F)(F)F 65538151 FUQNDZDCIPCBDQ-KGLIPLIRSA-N 361.335 3.610 0 40 FHAB CC(C)c1nnc(NC(=O)c2cc(-c3cc(Cl)ccc3O)[nH]n2)s1 5343458 YMDOOTKBOXNBNT-UHFFFAOYSA-N 363.830 3.663 0 40 FHAB COc1ccc(NC(=O)[C@H](C)Oc2cccc3cccnc23)cc1OC 14251667 OPDSJBLUWVASHE-ZDUSSCGKSA-N 352.390 3.658 0 40 FHAB Fc1ccc(Cc2nnc3sc(COc4ccc(F)cc4)nn23)cc1 4667808 HMUKMQXQJDDXOI-UHFFFAOYSA-N 358.373 3.634 0 40 FHAB COc1ccc(OC)c(-n2c(S)nnc2Cc2ccc(Cl)cc2)c1 6659494 TYTPTWHKGWLFCB-UHFFFAOYSA-N 361.854 3.817 0 40 FHAB COc1ccccc1CN(C)C(=O)c1ccc(Cn2nc(C)cc2C)cc1 61114574 GMNFHAZBHIEAAO-UHFFFAOYSA-N 363.461 3.829 0 40 FHAB Cc1ccccc1-c1nnc(SCC(=O)N(C)c2ccccc2)n1C 5860934 LUZQIGPOKYYVGU-UHFFFAOYSA-N 352.463 3.546 0 40 FHAB CCOC(=O)Cc1csc(NC(=O)CSc2cc(C)ccc2C)n1 6916688 LFNVBEFXCFQQGJ-UHFFFAOYSA-N 364.492 3.596 0 40 FHAB O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccccc2F)CC1 6923210 LZWLJEZTJFEYSE-UHFFFAOYSA-N 352.331 3.807 0 40 FHAB CN(C)Cc1ccccc1CNC(=O)Cc1cccc(C(F)(F)F)c1 6992459 YBNVOZHBQGAZEU-UHFFFAOYSA-N 350.384 3.626 0 40 FHAB CN(C)CCCNC(=O)C[C@@H](c1ccccc1)c1cc(Cl)ccc1O 9576759 XRTLUDMUVOHVAX-KRWDZBQOSA-N 360.885 3.636 0 40 FHAB Cn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1C(F)(F)F 7198603 UEDDEGQFKQCSGN-UHFFFAOYSA-N 366.368 3.718 0 40 FHAB CC(C)(C)c1ccc(C(=O)N2CCCC[C@@H]2CCN2CCOCC2)cc1 15831554 UVDCRANUWOKOLX-HXUWFJFHSA-N 358.526 3.701 0 40 FHAB O=c1c2cnc(N3CCCC3)nc2ccn1-c1cc(Cl)ccc1Cl 19959513 AJRSVQBAQCGUKA-UHFFFAOYSA-N 361.232 3.688 0 40 FHAB O=C(c1cncc(Br)c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 16307142 IIYLRHBFYZYTKJ-HNNXBMFYSA-N 371.238 3.698 0 40 FHAB Cc1ccc(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)cc1F 7927344 LGVRPXONBDRSRP-MRXNPFEDSA-N 362.470 3.815 0 40 FHAB CCCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OCCC)cc1 28048235 DWFOBOPTIYMDKR-SFHVURJKSA-N 370.453 3.699 0 40 FHAB COc1cc(CNC(=O)Cc2ccc3ccccc3c2)cc(OC)c1OC 8361637 SGBNDTNPWFVLBP-UHFFFAOYSA-N 365.429 3.725 0 40 FHAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccnn1C1CCCCC1 8427737 NXAVEBSKWGXSEP-UHFFFAOYSA-N 368.437 3.715 0 40 FHAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cccc(OC(F)F)c1 9709703 VKZNYZXAINPUAZ-UHFFFAOYSA-N 371.347 3.529 0 40 FHAB O=C(CCCSc1nnc2c(n1)[nH]c1ccccc12)NC1CCCCC1 8844778 HEXOVXHBRQAOQO-UHFFFAOYSA-N 369.494 3.827 0 40 FHAB Cn1ccnc1[C@H](NC(=O)Cc1ccccc1Cl)c1cccc(F)c1 9154128 RYXJVWVWEZRTOI-GOSISDBHSA-N 357.816 3.661 0 40 FHAB CC[C@@H](c1ccccc1)N(CC(C)C)C(=O)NCc1nnc2n1CCC2 84734653 HRENKCOTFWZGSY-KRWDZBQOSA-N 355.486 3.543 0 40 FHAB CCn1c(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)nc2c(F)cccc21 95402231 IPKQXMWUQGDUIZ-CQSZACIVSA-N 369.444 3.835 0 40 FHAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccccc1C 20143761 IZCGYJTVMFIRGC-UHFFFAOYSA-N 367.401 3.773 0 40 FHAB COc1ccc(/C=C2/SC(=O)N(CNc3ccccc3)C2=O)cc1OC 408724874 BXYFXQOWJMVBPG-GZTJUZNOSA-N 370.430 3.810 0 40 FHAB O=C(C[C@H](c1ccsc1)n1cccc1)Nc1cccc(-c2nc[nH]n2)c1 524734978 WQAHVSWREYWWOI-QGZVFWFLSA-N 363.446 3.953 0 40 FHAB CC1(C)CCc2nc(NC(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(F)(F)F)sc2C1 557066130 JPCKWCBEKQKOHM-WFFHOREQSA-N 374.428 3.952 0 40 FHAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 33028703 VEEKSZGZZUZPKY-KXBFYZLASA-N 372.490 3.796 0 40 FHAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1 33615234 TUHUGPIXBKBXTQ-UHFFFAOYSA-N 362.451 3.981 0 40 FHAB C[C@@H]1SC[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 38528921 WFCIGOQMPVAAGQ-KPZWWZAWSA-N 369.442 3.784 0 40 FHAB O=C(O)c1nc(-c2ccccc2)oc1CN1CC=C(C(F)(F)F)CC1 567619843 GITAEUXFBVMMIX-UHFFFAOYSA-N 352.312 3.734 0 40 FHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC1(c2ccc(F)cc2)CC1 75170100 OXOHFXKATLHORU-UHFFFAOYSA-N 367.399 3.827 0 40 FHAB CCCCc1nnc(NC(=O)c2csc(NC3CCCC3)n2)s1 44902187 FSMVAFASQBHARU-UHFFFAOYSA-N 351.501 3.944 0 40 FHAB Cc1nc(NC(=O)[C@H](C)Sc2nnc(Cc3ccccc3)o2)sc1C 48513615 XRLAYXDDNRTYIJ-LBPRGKRZSA-N 374.491 3.853 0 40 FHAB Cc1cc(Cl)ccc1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl 223325815 QRZJTPQAGWGXPG-UHFFFAOYSA-N 373.217 3.537 0 40 FHAB Cc1ccc(CCC(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1C 223687608 UEKCCPHQQKTTSX-UHFFFAOYSA-N 364.489 3.675 0 40 FHAB COc1ccc(CC(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224680976 JMHZTELCVKOGCU-UHFFFAOYSA-N 352.478 3.540 0 40 FHAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCc1ccccc1 222979962 MFDPDFXLISUXFE-KRWDZBQOSA-N 368.477 3.529 0 40 FHAB Cc1cccc(C(=O)NCc2ccccc2CN2C[C@H](C)O[C@H](C)C2)c1 48333592 OLPFMEGVIKVWEV-HDICACEKSA-N 352.478 3.534 0 40 FHAB COc1cc(C)c(S(=O)(=O)NCCCc2ccc(Cl)cc2)cc1C 224030016 CDNLOKDVSSNGKR-UHFFFAOYSA-N 367.898 3.877 0 40 FHAB CCOc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)C[C@H](C)C3)cs2)cn1 44954866 QSMGFUMGIVBSPA-KBPBESRZSA-N 374.510 3.667 0 40 FHAB COCCn1ccc2c(C(=O)Nc3n[nH]c4cccc(F)c34)cccc21 95476781 RDYWPQKQONXSGI-UHFFFAOYSA-N 352.369 3.555 0 40 FHAB O=C(c1ccsc1)N1CCC2(CCN(Cc3cccnc3)CC2)CC1 96047275 ZDSHIOCHOSEFKJ-UHFFFAOYSA-N 355.507 3.662 0 40 FHAB O=C(Nc1cccc(F)c1)[C@@H]1C[C@@]12CCN(C(=O)Nc1ccc(F)cc1)C2 96227228 NUAYAEQATSKKPW-FXAWDEMLSA-N 371.387 3.847 0 40 FHAB Cc1noc(C)c1-c1cccc(C[C@H]2CCN(C(=O)c3cscn3)C2)n1 257221309 DOKKZBSGSBBBBC-CQSZACIVSA-N 368.462 3.515 0 40 FHAB Cc1noc2nc(C(C)C)cc(C(=O)N[C@@H]3CCc4c(O)cccc43)c12 600992073 FLYJDSRAAFLZEQ-OAHLLOKOSA-N 351.406 3.778 0 40 FHAB COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CCC[C@@H](N2CCCC2)C1 611661165 KINQZWWTAFJPFB-CXAGYDPISA-N 371.308 3.768 0 40 FHAB COC(=O)CCc1cc2c(C)cc(=O)oc2cc1OCc1ccccc1F 41435423 MKGPNSMMNRLWIO-UHFFFAOYSA-N 370.376 3.925 0 40 FHAB biogenic O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@H]21 664574719 DFZOCETYETZLKH-FVXHZLDESA-N 366.436 3.541 0 40 FHAB Cc1cccnc1CN1CCn2c(CCOCC3CCC3)cnc2[C@H]1C 585098539 URXRRXLPAORPDV-QGZVFWFLSA-N 354.498 3.523 0 40 FHAB C[C@@H]1CCCCN1CCCNC(=O)N[C@@H]1CCOc2c(Cl)cccc21 56804815 UQJKYJKUHCATAX-RHSMWYFYSA-N 365.905 3.727 0 40 FHAB Cc1nc(C2(NC(=O)CCC(=O)c3cc(C)sc3C)CCCC2)no1 58180514 DPFQCLDOTMSOBS-UHFFFAOYSA-N 361.467 3.605 0 40 FHAB COC(=O)c1cc(NS(=O)(=O)c2ccc(C)c(C)c2)ccc1Cl 12914785 FFMBMVLGDMZGLU-UHFFFAOYSA-N 353.827 3.544 0 40 FHAB COc1cc(NCC(=O)Nc2cc(F)ccc2C)c(OC)cc1Cl 14069874 FLWBWXIBCAWWIQ-UHFFFAOYSA-N 352.793 3.855 0 40 FHAB Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)/C=C/c2ccccc2)c1 14404563 BMXHWZJGGJCTOU-VAWYXSNFSA-N 360.417 3.931 0 40 FHAB Cc1nc(COc2ccccc2C(=O)Nc2nc3c(s2)CCCC3)no1 14772406 QTKUNFJEWNLWAU-UHFFFAOYSA-N 370.434 3.545 0 40 FHAB COC(=O)c1ccc2c(=O)n(C[C@@H](C)c3ccccc3)c(=S)[nH]c2c1 17113814 MGGWXYYZUWNLJD-GFCCVEGCSA-N 354.431 3.649 0 40 FHAB CCC(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(F)cc1 19694464 OOIRGTJFPNESDS-KRWDZBQOSA-N 356.445 3.812 0 40 FHAB C/C=C/C=C/C(=O)OCC(=O)Nc1ccc(Br)cc1Cl 8433675 PLZWDSNGVVDRII-MQQKCMAXSA-N 358.619 3.717 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)O)cc(Cl)c2Cl)cc1 226354467 WJTDYZMUELLNMD-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB C[C@@H](OC(=O)Cc1c(F)cccc1Cl)C(=O)Nc1ccccc1F 5508383 OESVXYJALGPEIU-SNVBAGLBSA-N 353.752 3.731 0 40 FHAB CC(C)c1nc2ccccc2n1C1CN(C(=O)c2cccc(N(C)C)c2)C1 1888941757 SVCHJVZWXHQPOH-UHFFFAOYSA-N 362.477 3.923 0 40 FHAB Cc1c(C(=O)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2n1C 4062671 DOHXNYNDYOCLLK-UHFFFAOYSA-N 359.429 3.510 0 40 FHAB COc1ccc2nc(-c3ccc(NC(=O)c4cccc(F)c4)cc3)cn2n1 11693474 DRTPLGBEYSKDSI-UHFFFAOYSA-N 362.364 3.796 0 40 FHAB COc1ccc(CC(=O)NCc2cc(-c3ccc(C)cc3)on2)cc1OC 12235594 GLKBLRFMFCGXCU-UHFFFAOYSA-N 366.417 3.526 0 40 FHAB O=S(=O)(Cc1ccc(Cl)cc1)c1ccc(NCc2ccccc2)nn1 16843366 WZTPSBIQTXUHGF-UHFFFAOYSA-N 373.865 3.716 0 40 FHAB CCN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(C)C)CC2 2055793505 LUOWSEVHAPTDOI-UHFFFAOYSA-N 356.489 3.724 0 40 FHAB CC[C@H](Sc1nnc(C)c2cnn(-c3ccc(C)c(C)c3)c12)C(=O)OC 23137797 XKPCZBRVJPNOLN-INIZCTEOSA-N 370.478 3.784 0 40 FHAB O=C(NCC[C@@H](CCO)c1cccs1)c1cc(Br)cs1 575607762 JNANMFVJBHWXMY-JTQLQIEISA-N 374.325 3.858 0 40 FHAB CCCC(=O)N(c1ccc(OC)cc1)S(=O)(=O)c1ccc(CC)cc1 5234555 JWWRLXXYWNUBPW-UHFFFAOYSA-N 361.463 3.780 0 40 FHAB O=C(c1ccc(Br)o1)N(Cc1ccccn1)Cc1ccco1 61974528 STFQSAZDOKZEGX-UHFFFAOYSA-N 361.195 3.873 0 40 FHAB C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C)C[C@@H]1c1ccccc1 40007801 SFCJVNYNTUTFHK-HNAYVOBHSA-N 358.869 3.623 0 40 FHAB COc1ccc(Cn2nccc2NC(=O)CCCc2cccs2)cc1 40090638 KJFPXIMNHVTBTQ-UHFFFAOYSA-N 355.463 3.963 0 40 FHAB Cc1ccc(CN(C)C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1 40104775 JQVWTYNSLSGQMI-IBGZPJMESA-N 367.449 3.776 0 40 FHAB CCc1nnsc1C(=O)NCCc1ccc(OCc2ccccc2)cc1 40122119 YHLUHTHNYQUOFV-UHFFFAOYSA-N 367.474 3.652 0 40 FHAB Cc1ccc(NC(=O)CN2C(=O)COc3cc(C(C)(C)C)ccc32)cc1 40478729 XJALLZPEOQZHSS-UHFFFAOYSA-N 352.434 3.657 0 40 FHAB O=c1c2oc3ccccc3c2ncn1C[C@@H](O)c1ccc(C(F)(F)F)cc1 51283480 IXBNDGNOTQVGKF-CQSZACIVSA-N 374.318 3.895 0 40 FHAB COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C3(c2ccccc2)c2ccccc2)cc1 101002351 DLJYYYZKAJVPHB-SFTDATJTSA-N 369.420 3.801 0 40 FHAB O=C(N[C@H]1CCc2c(O)cccc21)c1ccn(-c2cccc(Cl)c2)n1 102826017 UZVHSJDNBNWWEP-INIZCTEOSA-N 353.809 3.649 0 40 FHAB COc1ccccc1C(=O)COC(=O)c1cc2ccc(F)cc2nc1C 22069291 BXQLUFARODBPDD-UHFFFAOYSA-N 353.349 3.731 0 40 FHAB CN(Cc1cccc(Cl)c1Cl)CN1C(=O)NC2(CCCCC2)C1=O 23384216 QZTKMYCJLUGSID-UHFFFAOYSA-N 370.280 3.637 0 40 FHAB COCc1cccc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)c1 23510424 YOVYJHLIEDKKIT-UHFFFAOYSA-N 353.340 3.704 0 40 FHAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)C1=Cc2ccccc2OC1 24135060 DRSHUSRONQWJRT-UHFFFAOYSA-N 358.777 3.630 0 40 FHAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CCCC1 1107309 QHIOTRCTENGXLF-UHFFFAOYSA-N 358.463 3.626 0 40 FHAB O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2)N1CCCCC1 918375 LPNAOWIROGBLJB-RISCZKNCSA-N 368.359 3.763 0 40 FHAB CCSc1ncc(-c2nnnn2-c2ccccc2)c(-c2ccccc2)n1 1041926 VQGABUGOZZBARL-UHFFFAOYSA-N 360.446 3.898 0 40 FHAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@H]1CO 78791013 TUJUTCVLAVPNNZ-LLVKDONJSA-N 356.266 3.713 0 40 FHAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2C1CC1)c1ccc(Br)cc1 1369732 QMICLPQCRGCPHT-IRXDYDNUSA-N 363.299 3.727 0 40 FHAB CCN(CC)CCOC(=O)[C@@](O)(c1ccccc1)c1ccc(C)c(C)c1C 1710835 HUVRSIKOCHSJIY-HSZRJFAPSA-N 369.505 3.733 0 40 FHAB CN(Cc1cnn(C)c1)C(=O)CSC(c1ccccc1)c1ccccc1 25044175 DUVXDYKBUIOEGO-UHFFFAOYSA-N 365.502 3.901 0 40 FHAB Cc1cc(NC(=O)[C@H](C)Nc2cccc(NC(=O)c3ccccc3)c2)on1 56174505 IQQGRZPHFFNUDT-AWEZNQCLSA-N 364.405 3.674 0 40 FHAB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1cccc(Cl)c1 4903260 UIMGAWJLTFRJGF-UHFFFAOYSA-N 369.837 3.890 0 40 FHAB O=C1CC[C@@H](c2n[nH]c(=S)n2-c2ccccc2)N1Cc1ccccc1 8652650 BMOBEBQTCAJVIG-INIZCTEOSA-N 350.447 3.794 0 40 FHAB CCCn1c(SCC(=O)Nc2ccccc2C)nc2ccsc2c1=O 57425181 WIQJQOCEZPUCTA-UHFFFAOYSA-N 373.503 3.907 0 40 FHAB C[C@@H](Sc1nc(C2CC2)nn1-c1ccccc1)C(=O)NCc1ccco1 10028935 BKRDQFFMPUGSBI-CYBMUJFWSA-N 368.462 3.535 0 40 FHAB O=C(NC1CCN(Cc2ccccn2)CC1)c1[nH]c2ccccc2c1Cl 58200791 RMHIPRVPFQBSTN-UHFFFAOYSA-N 368.868 3.611 0 40 FHAB Cc1ccc(F)c(NC(=O)c2cccc(NC(=O)CCn3ccnc3)c2)c1 58226601 ZYSOUKHEPITIQH-UHFFFAOYSA-N 366.396 3.612 0 40 FHAB O=C(COCc1cc(-c2ccc(F)cc2)on1)NCc1ccccc1Cl 9436290 RGVBBNQJTXABRO-UHFFFAOYSA-N 374.799 3.967 0 40 FHAB CC(=O)c1ccc(N2CCN(C(=O)c3c(C)oc(C)c3C)CC2)c(F)c1 12534875 CUKPFWRCWMSMNN-UHFFFAOYSA-N 358.413 3.509 0 40 FHAB Cn1c(C(=O)Nc2cccc(OCC(=O)O)c2)c(Cl)c2ccccc21 95389871 MXVRXTLJEXNGCJ-UHFFFAOYSA-N 358.781 3.547 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)c2cccc(C)c2C)c1 28468796 LBCPSHRMBNURKA-UHFFFAOYSA-N 374.506 3.895 0 40 FHAB COc1ccc2c(c1OC)C(=O)N(c1ncc(-c3ccccc3)s1)C2=O 2309315 PTPVIMJKHDYSQS-UHFFFAOYSA-N 366.398 3.628 0 40 FHAB CCn1c([C@@H](CC(C)C)NC(=O)[C@H]2CC[C@H](OC)CC2)nc2cccnc21 100161817 FKLBHNDLOFBERH-SOLBZPMBSA-N 372.513 3.860 0 40 FHAB COc1cc(NS(=O)(=O)c2ccc(SC)cc2)c(OC)cc1Cl 52410949 NVVYCZMOLOSEDC-UHFFFAOYSA-N 373.883 3.880 0 40 FHAB COc1cccc([C@H]2CCCN2C(=O)c2cnc3c(cnn3C(C)C)c2)c1 25068360 PGMJVFZEQLNDDV-LJQANCHMSA-N 364.449 3.998 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)COc2cc(C)cc(C)c2C)c1 22140862 NMAXQTXKIJSKNK-INIZCTEOSA-N 357.450 3.885 0 40 FHAB Cc1ccccc1Nc1nc([C@]2(C)C[C@@]3(C[C@@H](C)OC3=O)C(=O)O2)cs1 12664189 ZCVUCXZVBWBEDO-ZUSMLRIVSA-N 372.446 3.679 0 40 FHAB biogenic CC[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)NCc1ccccc1 12721535 INCLXHBYZJHBGS-MRXNPFEDSA-N 353.447 3.924 0 40 FHAB OCCCc1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccc(Cl)cc1)N2 100706848 LJGKHSMCFXOZDG-SFHVURJKSA-N 366.852 3.912 0 40 FHAB OC1(Cn2ccc3ncccc32)C[C@@H]2CC[C@@H](C1)N2Cc1cccs1 100213341 HFPHZDRLPLWEEP-HOTGVXAUSA-N 353.491 3.656 0 40 FHAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 12809302 MXSDMUFGRFRLKY-INIZCTEOSA-N 364.367 3.590 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)C[C@@H](NC(C)=O)c1ccccc1 3444143 KSPKFFSRKYVKNG-MRXNPFEDSA-N 360.841 3.863 0 40 FHAB CCc1nnc(SCC(=O)Nc2ccccc2F)n1-c1ccccc1 9264982 WYDSEHLCWIEBGC-UHFFFAOYSA-N 356.426 3.700 0 40 FHAB CC[C@](C)(C(=O)NC1CCCCC1)N(C)C(=O)Cc1c[nH]c2ccccc12 3625975 GPDOCEJNBFBIFP-JOCHJYFZSA-N 369.509 3.786 0 40 FHAB Cc1ccccc1CN(C)Cn1nc(CN2CCCCCC2=O)oc1=S 13073985 PMHOSLXRKZYZDB-UHFFFAOYSA-N 374.510 3.506 0 40 FHAB COCc1cccc(OCC2(CSc3nnc(N)n3C3CC3)CCC2)c1 95448430 DTKSQBIXVYTLOT-UHFFFAOYSA-N 374.510 3.683 0 40 FHAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 20459335 YXCVTZCMUKJGDE-CQSZACIVSA-N 370.474 3.941 0 40 FHAB Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc(-c3cccnc3)no2)s1 65286621 ARUKBZNATXJKGN-CQSZACIVSA-N 354.435 3.869 0 40 FHAB C[C@@H](C(=O)N1CCCc2ccccc21)N1CCC(Cc2cccnc2)CC1 95458265 ZKIAZZXFYPZNPQ-SFHVURJKSA-N 363.505 3.704 0 40 FHAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 6384822 GBNGNTUQPHZKKX-OAQYLSRUSA-N 373.452 3.719 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)/C=C/c1nc2ccccc2s1 14018957 HQOOYJSZDCSLOB-MDZDMXLPSA-N 367.430 3.915 0 40 FHAB COc1ccccc1-c1cc(CSc2nnnn2C2CCCC2)on1 14183118 GPGJYDWEIOLNGX-UHFFFAOYSA-N 357.439 3.744 0 40 FHAB Cc1cc(O)c2c(C)c(CC(=O)Nc3cccc(Cl)c3)c(=O)oc2c1 6660655 GBNYIRJHAAPJDQ-UHFFFAOYSA-N 357.793 3.950 0 40 FHAB Nc1c(Nc2ccccc2C(=O)N2CCCCC2)c2ccccc2oc1=O 4708723 AXVHCXKCNUIRRL-UHFFFAOYSA-N 363.417 3.745 0 40 FHAB O=C(OCc1cc(Cl)cc2c1OCOC2)c1cc2ccccc2oc1=O 5738926 LDMSVICIEWBNIV-UHFFFAOYSA-N 372.760 3.670 0 40 FHAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1cccc2ccc(C)nc12 4819997 CXMIKJHUDMQRHY-IBGZPJMESA-N 350.374 3.842 0 40 FHAB Cc1nnnn1-c1ccc(C(=O)Nc2cccc3c2ccn3C(C)C)cc1 95473069 WDFSBTXZUWMBCZ-UHFFFAOYSA-N 360.421 3.759 0 40 FHAB COc1ccc(Br)cc1CSc1nnc(C)n1C1CC1 7533627 FHVKRWUYSAUVCT-UHFFFAOYSA-N 354.273 3.985 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccc(C(C)=O)cc1OC 7624458 COKFYXVDZMUFEB-AWEZNQCLSA-N 357.406 3.621 0 40 FHAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cccc(COCC2CC2)c1 68433191 YEFCJVMNMKSIAG-JLTOFOAXSA-N 353.418 3.780 0 40 FHAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)O[C@@H]3C[C@@H](C)OC3=O)sc2n1 7785308 ZBBMEGRIGCTZTB-CHWSQXEVSA-N 370.430 3.565 0 40 FHAB COC(=O)c1cc(OC)ccc1NC(=O)c1cc2c(s1)CC[C@H](C)C2 69492389 YRHIFWSOXXYQLN-NSHDSACASA-N 359.447 3.920 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CNC[C@H](c1cccs1)N(C)C 22787363 VNKPJRHUGCXQSH-LJQANCHMSA-N 354.523 3.943 0 40 FHAB COc1cccc([C@@H](CO)NC(=O)c2cccc(Oc3ccccc3)c2)c1 92194150 AHRFLCPIOXIYJN-OAQYLSRUSA-N 363.413 3.951 0 40 FHAB CC(=O)Nc1cccc(OC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 8723808 KOXXNYGGBNNAQU-UHFFFAOYSA-N 364.357 3.710 0 40 FHAB CCC(=O)c1ccc(OCC(=O)NCCSCc2ccsc2)cc1 18949626 HHCFBGAEJJGBFU-UHFFFAOYSA-N 363.504 3.769 0 40 FHAB CC(=O)Nc1cccc(NC(=O)c2cn(C3CC3)c(=O)c3ccccc23)c1 71287868 NEFANWKCQOFZOI-UHFFFAOYSA-N 361.401 3.547 0 40 FHAB CCN(C)C[C@H]1CCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 72305275 XJJBWQQJHGVOFC-QWHCGFSZSA-N 358.313 3.594 0 40 FHAB CCc1ccc2c(COC(=O)C[C@@H]3CNc4ccccc43)cc(=O)oc2c1 72312498 ILZAPBNIIDJEIG-OAHLLOKOSA-N 363.413 3.998 0 40 FHAB CCC(CC)C(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 95998736 LQZUPXDHAXGYCA-MRXNPFEDSA-N 360.502 3.681 0 40 FHAB O=C(Nc1nnc(-c2ccncc2)s1)c1ccc(Br)s1 28225984 CALQKSBEELCJMZ-UHFFFAOYSA-N 367.253 3.676 0 40 FHAB CCOC(=O)COc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1Cl 409111279 CAKIHBUQTCYMAD-ZROIWOOFSA-N 357.793 3.775 0 40 FHAB Cn1cnc2cc(C(=O)N3CCc4cc(Br)ccc43)ccc21 127575959 VLNHHULPARJJOX-UHFFFAOYSA-N 356.223 3.539 0 40 FHAB CCN(CC)[C@H](CNC(=O)CCC(=O)c1cccs1)c1ccsc1 31987846 AXCJDBCPRGUKRO-OAHLLOKOSA-N 364.536 3.972 0 40 FHAB CC1(C)CN(C(=O)Nc2ccc(N3CCCC3=O)cc2)[C@H]1c1ccncc1 562417218 LQEIUHAZIGAXHD-IBGZPJMESA-N 364.449 3.823 0 40 FHAB COC(=O)c1cc(NC(=S)NCc2cccc(F)c2)ccc1Cl 225837089 GPZZJIPOPOBCSJ-UHFFFAOYSA-N 352.818 3.752 0 40 FHAB COc1cc(C)nc(NC(=S)NCC2(c3ccccc3)CCCCC2)n1 225983829 MVYPJUFTVIEXCM-UHFFFAOYSA-N 370.522 3.982 0 40 FHAB COC(=O)c1c(NCc2ccc(OC)cc2)c2cc(Cl)ccc2[nH]c1=O 49001539 WMIMDCOCPHZNNT-UHFFFAOYSA-N 372.808 3.589 0 40 FHAB COc1cccnc1NC(=S)NCCSCc1cccc(Cl)c1 225301399 DMNBMAWEKKRTFC-UHFFFAOYSA-N 367.927 3.963 0 40 FHAB O=C(CSCc1ccccc1Cl)NC[C@H]1COc2ccccc2O1 225236726 HVUZTLHTDMCLGB-AWEZNQCLSA-N 363.866 3.529 0 40 FHAB CN(C(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)C1CCCC1 44846608 XRVBKTYPIJKCIG-UHFFFAOYSA-N 372.490 3.526 0 40 FHAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 223117650 GNXYNFTZKPZOOH-QGZVFWFLSA-N 353.462 3.836 0 40 FHAB C[C@@H](NC(=O)Nc1ccc(OC(F)F)cc1)c1ccc2c(c1)OCO2 48325453 BVDFYNBLWOBKCG-SNVBAGLBSA-N 350.321 3.899 0 40 FHAB Cc1[nH]ncc1-c1nn2c(-c3cccc(Cl)c3Cl)nnc2s1 44903320 JHJAQCZBTWAZQL-UHFFFAOYSA-N 351.222 3.858 0 40 FHAB COCCOc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)cn1 225943347 SRWLBIJJTBHFPG-UHFFFAOYSA-N 362.857 3.968 0 40 FHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)[C@H](C)N1CCO[C@@H](c2ccc(F)cc2)C1 195528575 PNKNKOHTAWTGAW-OPOMMLRYSA-N 362.489 3.528 0 40 FHAB COc1cccc(CN2CCC3(CC2)CCN(Cc2ccncc2)C3)c1 96157604 UGZUJSJEYMEPCX-UHFFFAOYSA-N 351.494 3.578 0 40 FHAB Cc1ccsc1CN1CCC2(CC1)C[C@@H](OCc1cccnc1)CO2 96106779 WOTYUTFDFRUPTO-GOSISDBHSA-N 358.507 3.792 0 40 FHAB Cc1ccc(CN2CCC[C@@]3(COCCN(c4cccnc4)C3)C2)s1 96049551 TVCMRNMMMSHAMW-HXUWFJFHSA-N 357.523 3.571 0 40 FHAB COCCn1c(C(=O)N[C@@H]2CCOC(C)(C)C2)cc2cc(Cl)ccc21 95475742 YOIPTTHAQJHFLZ-OAHLLOKOSA-N 364.873 3.629 0 40 FHAB Cc1cnc(Nc2nccnc2[C@H]2CCCN(Cc3cscn3)C2)s1 257265788 MAGDMIWAYXGHEG-ZDUSSCGKSA-N 372.523 3.821 0 40 FHAB Fc1ccccc1CN1CCC(c2cncc(Nc3ncccn3)n2)CC1 257257874 KRKYAIQJCLUXBL-UHFFFAOYSA-N 364.428 3.529 0 40 FHAB COc1ccccc1CC(=O)N1C[C@H]2[C@@H](Oc3ccccc3F)CC[C@H]2C1 257225449 FGGMPEQQYIZREF-QKLQHJQFSA-N 369.436 3.693 0 40 FHAB CCOC(=O)c1c2n(c(=O)c3ccc(C)nc13)Cc1ccc(Cl)cc1N2 255190448 XHMORDIAEBFTLT-UHFFFAOYSA-N 369.808 3.640 0 40 FHAB O=C(c1ccc(F)c(F)c1)N1CCC(Oc2ccncc2Cl)CC1 253472386 LZABDGQWZVLVCB-UHFFFAOYSA-N 352.768 3.697 0 40 FHAB Cc1cnccc1CCNC(=O)NCCOc1ccc(C(C)(C)C)cc1 533661877 XMDULICNNVEAQP-UHFFFAOYSA-N 355.482 3.608 0 40 FHAB CC[C@H](C)CN(CC)C(=O)c1ccc2nc(O)n(CC(F)(F)F)c2c1 611934155 KZONGXAZIOJTDD-NSHDSACASA-N 357.376 3.812 0 40 FHAB O=C(CCn1ccc2ccc(F)cc21)NC[C@@H]1CCCN2CCCC[C@@H]12 43746945 LOCALLAVIUZBAU-HKUYNNGSSA-N 357.473 3.551 0 40 FHAB biogenic Cc1ccc(C2(NC(=O)c3ccc(N4CCOCC4)cc3)CCC2)cc1 648659169 MXVLDQSYWWMIJL-UHFFFAOYSA-N 350.462 3.641 0 40 FHAB O=C(O)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)[C@@H]2CCCC[C@H]12 659194671 NCGGKPHGJDZWNS-XLWJZTARSA-N 361.404 3.847 0 40 FHAB CC1(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)CCOCC1 679996486 POSIBSHXHOURQJ-UHFFFAOYSA-N 353.344 3.646 0 40 FHAB O=C(c1ccc(N2CCOCC2)cc1)N1CCCC[C@@H](c2ccccc2)C1 390826927 CQAZDSLWSOZQOJ-OAQYLSRUSA-N 364.489 3.933 0 40 FHAB COc1ccc(C)c2c1N(C(=O)c1cc3c(C)nn(C)c3s1)CCC2 67843343 MGQVABSTTOEWHP-UHFFFAOYSA-N 355.463 3.853 0 40 FHAB Cc1cc(OC[C@@H]2CCCN(C(=O)C3(c4ccc(F)cc4)CC3)C2)ccn1 1776000749 IBPRRGGFCQAPMQ-QGZVFWFLSA-N 368.452 3.878 0 40 FHAB CC(C)(O)CN(Cc1ccccc1)C(=O)CCCOc1ccc(F)cc1 95463339 HMCFCRKCQCVBEF-UHFFFAOYSA-N 359.441 3.784 0 40 FHAB O=C(NCc1cccc2ccccc12)N1CCC(Oc2ccncc2)CC1 199938466 VLBNFXCOVKQSNJ-UHFFFAOYSA-N 361.445 3.988 0 40 FHAB O=C(O)C[C@@H](NC(=O)c1cccc2[nH]ncc12)c1cccc2ccccc12 1608769780 DQLJYFULHCKHBR-LJQANCHMSA-N 359.385 3.662 0 40 FHAB O=C(NC(c1ccccc1)c1ccccc1)N1CC(Oc2ccncc2)C1 1775974646 YNYQHBGOSGRZGQ-UHFFFAOYSA-N 359.429 3.644 0 40 FHAB Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2F)c1 5360308 NYRFYXLFFLMIIC-UHFFFAOYSA-N 356.426 3.754 0 40 FHAB CN(C)CC1CCC2(CC1)CN(Cc1ccncc1)Cc1ccccc1O2 12088446 KCZZNVVJZASCKP-UHFFFAOYSA-N 365.521 3.967 0 40 FHAB COc1cc2c(cc1CN(Cc1ccccc1)C[C@H]1CCCO1)OCO2 12186952 MNJHRGJSCQTOPH-GOSISDBHSA-N 355.434 3.605 0 40 FHAB Cc1ccc(SCCNC(=O)c2ccc(N3CCCC3=O)cc2)cc1 14803565 ZUYXOAUEHHAEEY-UHFFFAOYSA-N 354.475 3.644 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)CCOc2ccccc2OC)cc1 15543871 LNODIIZLQIPXBV-GOSISDBHSA-N 355.434 3.836 0 40 FHAB O=C(NCc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 17323926 MKVZMDZWACSNTB-CYBMUJFWSA-N 363.244 3.663 0 40 FHAB CC(C)c1ccc(OCc2cc([C@@H]3CCN(Cc4ncc[nH]4)C3)[nH]n2)cc1 19704655 SELCXVYYKUGSBK-QGZVFWFLSA-N 365.481 3.825 0 40 FHAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)NCCc1ccc(F)cc1 8304236 JUUSMJKUNAMHFY-ZZXKWVIFSA-N 361.800 3.622 0 40 FHAB COc1cccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)c1 646914 CYWBMDJXFSSJMQ-UHFFFAOYSA-N 354.189 3.798 0 40 FHAB CCOc1cc(C(=O)OC)cc(Br)c1OCc1cccnc1 226321508 NSIGWQJKKMPNPC-UHFFFAOYSA-N 366.211 3.608 0 40 FHAB Cc1ccccc1-n1cnnc1S[C@@H](C)c1nc2ccccc2c(=O)[nH]1 4492938 AKZGDYJYGRAMHY-ZDUSSCGKSA-N 363.446 3.666 0 40 FHAB O=C(CCc1ccccc1)Nc1ccccc1C(=O)NCC(F)(F)F 5336097 FQBBVHWLAZGNJA-UHFFFAOYSA-N 350.340 3.550 0 40 FHAB Cc1ccc(S(=O)(=O)N(C2CCCC2)C2CC2)c(Br)c1 24687170 XHHQQEPSHQQQFX-UHFFFAOYSA-N 358.301 3.853 0 40 FHAB Cc1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1Br 6315008 BGUSJLZEJZNOPF-UHFFFAOYSA-N 358.301 3.926 0 40 FHAB Cc1ccc(O[C@H]2CCN(C(=O)c3cc(Cl)ccc3Cl)C2)nc1 238879384 OWHXGGGPJYHZNN-ZDUSSCGKSA-N 351.233 3.990 0 40 FHAB COCc1cccc(C(=O)N2CCC[C@](COc3ccccc3)(OC)C2)c1 2037909274 KXEJYODNPDYGDQ-QFIPXVFZSA-N 369.461 3.533 0 40 FHAB CO[C@H](CNC(=O)c1ccc2nsnc2c1)c1cc2ccccc2o1 253472592 NTEGVNYWKTZUAU-QGZVFWFLSA-N 353.403 3.555 0 40 FHAB O=C(Cc1noc2ccccc12)N[C@@H](c1cccs1)C1CCOCC1 1565523425 NYPSYUKPXZCQDE-LJQANCHMSA-N 356.447 3.716 0 40 FHAB Cc1ccc(N(C(=O)c2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1Cl 3077192 KTBJOENSJBIEIR-INIZCTEOSA-N 361.850 3.606 0 40 FHAB CCOC(C(=O)OCCCN1CCCC1)(c1ccccc1)c1ccccc1 4005599 BICXFCUUWBJXJA-UHFFFAOYSA-N 367.489 3.996 0 40 FHAB COc1cccc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2C)c1 4033071 HTERSACCKKYSIZ-UHFFFAOYSA-N 358.401 3.966 0 40 FHAB COc1ccc(Cn2ccnc2SCC(=O)Nc2ccccc2)cc1 7391789 JGMLHSUGCKZPTA-UHFFFAOYSA-N 353.447 3.671 0 40 FHAB Cc1cc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccc(F)cc3s2)no1 9206852 HSILUGOCRLKALH-LBPRGKRZSA-N 361.398 3.558 0 40 FHAB Cc1nc2ccc(NC(=O)CCS(=O)(=O)Cc3ccccc3)cc2s1 10620368 DEMHGPJDFGBLRM-UHFFFAOYSA-N 374.487 3.548 0 40 FHAB COc1ccc(C(=O)OCc2cc(-c3ccc(F)cc3)on2)c(OC)c1 11613663 QKQXFOSCYZBDGP-UHFFFAOYSA-N 357.337 3.855 0 40 FHAB Cc1ccnn1-c1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 23740355 CFGIZXQDAGVDRI-JOCHJYFZSA-N 374.488 3.748 0 40 FHAB O=C(Cc1csc(-n2cccc2)n1)N1CCCC[C@@H]1c1cccnc1 247886089 XBQYLUQNUADULS-QGZVFWFLSA-N 352.463 3.625 0 40 FHAB O=C(CCCc1cccs1)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 40072060 OAIRDGUOEUDWOM-QGZVFWFLSA-N 358.463 3.827 0 40 FHAB O=C(c1cccc2cn[nH]c12)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 50661463 DQHPAYCPQKDJJF-KRWDZBQOSA-N 353.397 3.523 0 40 FHAB CCCCCn1c(=N)n(C[C@H](O)COc2ccc(C)cc2)c2ccccc21 20327149 MWKWBNGVIQYQER-SFHVURJKSA-N 367.493 3.861 0 40 FHAB O=C(CSc1nc2cc(Cl)cc(Cl)c2[nH]1)NCc1ccco1 32691696 FEOKWXKZYUMIKT-UHFFFAOYSA-N 356.234 3.871 0 40 FHAB Cc1nc(C)c(-c2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)o2)s1 41097847 XCBSDHQQUQXRQL-UHFFFAOYSA-N 358.467 3.965 0 40 FHAB O=C(CSc1nncc2c1[nH]c1ccc(F)cc12)NC1CCCCC1 32752899 CTBYPTZHSFVTBJ-UHFFFAOYSA-N 358.442 3.791 0 40 FHAB O=C(CSc1nnc(-c2ccccc2F)o1)N1CCc2ccccc2C1 780980 ODWDGYSDIOUSIE-UHFFFAOYSA-N 369.421 3.553 0 40 FHAB Cc1cc(-c2csc(NC(=O)CNC(=O)C(C)(C)C)n2)c(C)s1 8983908 COTWGUULPAXSHX-UHFFFAOYSA-N 351.497 3.589 0 40 FHAB COC(=O)C1(NC(=O)Cc2c(Cl)cccc2Cl)CCCCCC1 24979416 GTLGIASACCJXDX-UHFFFAOYSA-N 358.265 3.918 0 40 FHAB Cc1ccc(CNC(=O)c2ccccc2SCc2noc(C)n2)cc1 25062493 FDJFFCDPUYXTBA-UHFFFAOYSA-N 353.447 3.909 0 40 FHAB O=C(Nc1ccccc1)N(c1ccc(Cl)cc1)[C@@H]1C=CS(=O)(=O)C1 4158597 JXPJZJAPFIHPRF-MRXNPFEDSA-N 362.838 3.689 0 40 FHAB CC[C@@H](C)Cc1c(C)sc2nc(SCc3nnc(C)o3)[nH]c(=O)c12 7672525 SEBUBEGEOCBSKN-MRVPVSSYSA-N 364.496 3.865 0 40 FHAB C[C@@H](Nc1ccnc2cc(Cl)ccc12)c1ccc(S(N)(=O)=O)cc1 7813818 IRUBGWZKUGVIQU-LLVKDONJSA-N 361.854 3.709 0 40 FHAB Cc1ccc(SCCNC(=O)[C@H](NC(=O)c2ccco2)C(C)C)cc1C 26680541 MUFCTNJUUULVEN-GOSISDBHSA-N 374.506 3.559 0 40 FHAB O=C(OCc1ccccc1)c1ccccc1SCC(=O)N1CCCC1 58050921 OJSWKQSIGVMUCV-UHFFFAOYSA-N 355.459 3.758 0 40 FHAB O=C(COc1ccccc1Cl)NCc1ccc(CN2CCCC2)cc1 8430005 OSKBLANRVXDXSV-UHFFFAOYSA-N 358.869 3.631 0 40 FHAB O=C(CCCc1cccs1)Nc1cccc(C(=O)Nc2nncs2)c1 58070118 JXSUIOJZMVMBPF-UHFFFAOYSA-N 372.475 3.813 0 40 FHAB COc1cc(OC)cc(C(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)c1 28226257 RBYMYLUTBPYGGW-UHFFFAOYSA-N 371.824 3.854 0 40 FHAB CCC(=O)N1CCc2cc(C(=O)NCCc3cccc(Cl)c3)ccc21 44882231 AWWDAQGEBDVLOC-UHFFFAOYSA-N 356.853 3.612 0 40 FHAB COC(=O)c1ccccc1NC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 24745307 LVLXEJYJCJFODS-UHFFFAOYSA-N 367.380 3.684 0 40 FHAB CN(C[C@@H]1CCCO1)C(=O)COc1cc(Cl)c(Cl)cc1Cl 58218529 JBIOEAAZQOLDKI-VIFPVBQESA-N 352.645 3.663 0 40 FHAB COc1ccc(-c2nn3c(CCc4ccccc4)nnc3s2)c(OC)c1 10311878 JSLDSWOZFYPYMH-UHFFFAOYSA-N 366.446 3.655 0 40 FHAB Cc1cccc(Cc2cnc(NC(=O)[C@H]3Cc4ccccc4O3)s2)c1 9575738 MRLZXPXBRCLICL-GOSISDBHSA-N 350.443 3.985 0 40 FHAB COc1cc2nc(CN(C)c3cccc(C(C)C)c3)[nH]c(=O)c2cc1OC 58406636 QXJNINCLZDKERV-UHFFFAOYSA-N 367.449 3.700 0 40 FHAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1 10628819 FLYGTURDCMZYAB-KRWDZBQOSA-N 355.463 3.706 0 40 FHAB O=C(O)c1ccc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)cc1 2220426 UENBDVDCUNGNTB-UHFFFAOYSA-N 369.229 3.818 0 40 FHAB Cc1nc(CSCC(=O)NCCOc2cccc(Cl)c2)cs1 36397805 LDVWFTFOKIFVPG-UHFFFAOYSA-N 356.900 3.533 0 40 FHAB COCCCNC(=S)Nc1ccc(N2CCCCC2)c2ccncc12 10941901 CATXEYDIDHEMFV-UHFFFAOYSA-N 358.511 3.548 0 40 FHAB CCN(Cc1cccc(NC(=O)Cc2cccs2)c1)C(=O)C(F)(F)F 36759716 ZQDZBYAUAXWYOJ-UHFFFAOYSA-N 370.396 3.840 0 40 FHAB CN(CC(=O)Nc1cc2c(cc1Cl)OCO2)[C@@H]1CCc2ccccc21 29489194 IYYSEPOFTTZSJG-MRXNPFEDSA-N 358.825 3.627 0 40 FHAB Cc1cc(C)c(NC(=O)CSc2nncn2-c2ccccc2)c(C)c1 3291495 WMDDJRNTZVYWOC-UHFFFAOYSA-N 352.463 3.923 0 40 FHAB CCOc1ncccc1C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl 3265847 LVWTXLOSCFUUFW-UHFFFAOYSA-N 369.204 3.583 0 40 FHAB COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1c(F)cccc1F 3235644 SSYZVAGGUJMNAJ-UHFFFAOYSA-N 371.339 3.922 0 40 FHAB C[C@@H](Sc1nncs1)C(=O)NCc1ccnc(Oc2ccccc2)c1 48262183 NGFRYKSJYGIKIF-GFCCVEGCSA-N 372.475 3.522 0 40 FHAB O=C(c1cc(Br)c[nH]1)N1CCC[C@H]1c1nc2ccccc2[nH]1 48288319 DKYPIFKRPIJZNH-AWEZNQCLSA-N 359.227 3.631 0 40 FHAB Cc1c(-c2ccccc2)sc2nc(-c3cc(C(=O)O)n(C)c3)[nH]c(=O)c12 96008342 OSECBPUMSWTGMV-UHFFFAOYSA-N 365.414 3.664 0 40 FHAB CCOC(=O)c1cccnc1N1CCC(C(=O)c2cc(F)ccc2F)CC1 48314476 IICNPYZLZSYIBY-UHFFFAOYSA-N 374.387 3.636 0 40 FHAB COc1cc(NC(=O)COc2ccc(F)c3c2C(=O)C[C@@H]3C)cc(OC)c1 12867012 YBKQJELNDNUFBW-NSHDSACASA-N 373.380 3.550 0 40 FHAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)NC3CCCCCC3)c12 13006158 WYYICRKHKTUTGG-UHFFFAOYSA-N 352.438 3.989 0 40 FHAB COc1ccccc1CNC(=O)[C@@H](CC(C)C)NC(=O)C1CCC(C)CC1 3895865 UHFMAYUAVVOXLW-FAFZWHIHSA-N 374.525 3.669 0 40 FHAB O=C(NCc1ccccn1)c1sc(-n2cccc2)nc1-c1ccccc1 71279650 JBJWSOHQBAGQJS-UHFFFAOYSA-N 360.442 3.926 0 40 FHAB CCN(Cc1ccccc1)C(=O)COC(=O)c1ccc2ccccc2c1O 9154515 GJTMBWIIVIUJEB-UHFFFAOYSA-N 363.413 3.751 0 40 FHAB COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 4385087 ZLAIYWJYHLPPIH-ZDUSSCGKSA-N 358.825 3.649 0 40 FHAB Cc1nc(SCc2cc(=O)n3c(C)csc3n2)n(CC(C)C)c1C 5263301 DRFNGWCBZXNURX-UHFFFAOYSA-N 362.524 3.826 0 40 FHAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C)cc1 14093447 RCMNUSATHGEPOR-LLVKDONJSA-N 359.476 3.916 0 40 FHAB CCCCc1ccc(NC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)cc1 14118552 RCNBQOVMCGQSPI-UHFFFAOYSA-N 371.481 3.613 0 40 FHAB O=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)OCC(F)(F)F)CC1 14121642 SKZNXRAJYRPCPI-UHFFFAOYSA-N 364.751 3.689 0 40 FHAB C=C1c2ccccc2C(=O)N1CCC(=O)N[C@H]1CCc2c(Cl)cccc21 65878216 CQTTXCHHIHYALT-IBGZPJMESA-N 366.848 3.960 0 40 FHAB CCOc1ccc2nc(S[C@@H](C(=O)N(C)C)c3ccccc3)[nH]c2c1 6649710 ZJPPWQWOFSTGJD-QGZVFWFLSA-N 355.463 3.883 0 40 FHAB O=S(=O)(/C=C/c1ccccc1)Nc1c2c(nn1-c1ccccc1)CCC2 66250417 MIHAVXNNLWORRM-CCEZHUSRSA-N 365.458 3.774 0 40 FHAB Cc1ccc(C(=O)COC(=O)[C@H](NC(=O)C2CCC(C)CC2)C(C)C)cc1 4704049 IAHLJOTVRCUBQK-OUNSHVDWSA-N 373.493 3.688 0 40 FHAB O=C(Nc1nc(-c2ccccn2)cs1)c1cncc(Br)c1 6969750 RUXWXFJSQYIVBN-UHFFFAOYSA-N 361.224 3.615 0 40 FHAB O=c1n(Cc2ccccc2Cl)nc2ccc(-c3ccc(Cl)cc3)nn12 67260464 RHKKFQATWYFYGO-UHFFFAOYSA-N 371.227 3.913 0 40 FHAB Cc1cccc(-n2c(C)nnc2SCC(=O)N(C)Cc2ccc(C)o2)c1 7095022 RHZZDJVKHLOUEG-UHFFFAOYSA-N 370.478 3.536 0 40 FHAB CCOC(=O)c1sc2nc([C@H](C)Nc3ccc(C)cc3)[nH]c(=O)c2c1C 7002555 ZZJMIJZZEPUTIZ-LBPRGKRZSA-N 371.462 3.951 0 40 FHAB O=C(Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1)[C@@H]1CCCO1 28221689 PKEBEFOPBSIUOW-INIZCTEOSA-N 353.353 3.660 0 40 FHAB COc1ccc([C@H](C)NC(=O)c2cnc(-c3ccco3)s2)c(OC)c1 71799832 LYLIFYKOBTZYAH-NSHDSACASA-N 358.419 3.911 0 40 FHAB COc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1cc(C)ccc1C)CC3 15842163 FJMWTGPSNWFOAK-UHFFFAOYSA-N 368.458 3.612 0 40 FHAB Cn1cc([C@@H]2C[C@@H]2C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)cn1 68439906 AHLIJXHBIFCHRV-ROUUACIJSA-N 357.885 3.805 0 40 FHAB CNC(=O)c1cccc(NC(=O)c2ccccc2OCc2ccccc2)c1 7783258 UQVVDDKVMVGYHV-UHFFFAOYSA-N 360.413 3.878 0 40 FHAB COc1ccc(C2(c3nnc(-c4ccccc4F)o3)CCOCC2)cc1 71889777 MNGDFDFFAPUVES-UHFFFAOYSA-N 354.381 3.981 0 40 FHAB O=C(COc1cccc(Cl)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 28318600 MDXGTYMGIZPMTE-QGZVFWFLSA-N 373.836 3.854 0 40 FHAB Cc1cc(C(=O)OCC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)[nH]n1 84072931 AZRUODSWDPAYQL-SFHVURJKSA-N 369.465 3.536 0 40 FHAB CCCCO[C@@H]1C[C@H](N(C)C(=O)c2cncc(Br)c2)C1(C)C 72310285 DJYQAHVTKOTCFM-LSDHHAIUSA-N 369.303 3.900 0 40 FHAB C[C@@H]1CN(c2ccc(-c3nnc(Br)s3)cc2)CC(C)(C)O1 72313876 SIWWPLOWBCOEEJ-SNVBAGLBSA-N 368.300 3.971 0 40 FHAB O=C(c1[nH]nc(C2CC2)c1Cl)N1CCn2cccc2[C@@H]1c1ccccc1 88579125 FCLQNJQMBHHNHM-IBGZPJMESA-N 366.852 3.987 0 40 FHAB C[C@@H]1SCCN(C(=O)Nc2cccc(Cl)c2N2CCOCC2)[C@@H]1C 89920026 BOLGHZIGRQHELJ-OLZOCXBDSA-N 369.918 3.534 0 40 FHAB Cc1ccc([C@@H]2OCCC[C@@H]2CNS(=O)(=O)c2cccs2)cc1 174079006 KPRQHFIGDADGEK-WBVHZDCISA-N 351.493 3.503 0 40 FHAB CN(C(=O)c1ccccc1NS(=O)(=O)c1ccccc1)C1CCCC1 20044809 UFLJZDOGPCJNIS-UHFFFAOYSA-N 358.463 3.502 0 40 FHAB COc1cc(CN2CC[C@H](c3nc4ccccc4o3)C2)cc(OC)c1OC 35446533 DXDBPZCSNDHKMP-HNNXBMFYSA-N 368.433 3.843 0 40 FHAB biogenic,in-vitro COc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 35289586 RXFLOXRTSVVDPK-INIZCTEOSA-N 373.840 3.984 0 40 FHAB O=C1CCCN1c1cccc(Nc2ncnc3c2cnn3-c2ccccc2)c1 502097469 KUXDDXLLHDWKHO-UHFFFAOYSA-N 370.416 3.686 0 40 FHAB CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 38771267 GFKSQBXKRYAULW-UHFFFAOYSA-N 366.870 3.589 0 40 FHAB Cc1c(Cl)cccc1Nc1nnc(SCCn2cncn2)s1 70005657 RFGPIZNDAGSKKM-UHFFFAOYSA-N 352.876 3.627 0 40 FHAB CCCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cccnc1 35288851 RXIXKDQCZHICIW-UHFFFAOYSA-N 371.441 3.620 0 40 FHAB C[C@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(CN2CCCC2)c1 32463073 QSSQQQQHWJGBAL-INIZCTEOSA-N 356.441 3.505 0 40 FHAB Cc1nc(-c2ccncc2)sc1C(=O)NCCc1c[nH]c2ccccc12 70666222 PAEIOIFFIRAWLJ-UHFFFAOYSA-N 362.458 3.967 0 40 FHAB biogenic Cc1cccc(C)c1NC(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1 35288963 CPYRNMOTSVVHTF-UHFFFAOYSA-N 369.440 3.869 0 40 FHAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)c(F)c2)cc1F 71918814 BLIIDBCXLBLTLK-UHFFFAOYSA-N 364.417 3.892 0 40 FHAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)n1C 224597427 VDSMNALANHLMBY-MOPGFXCFSA-N 364.474 3.611 0 40 FHAB CCCCC[C@](C)(OC)C(=O)Nc1cnc(OCCOCC)c(C)c1 225887179 ZGAKFJPPOMDZEM-IBGZPJMESA-N 352.475 3.729 0 40 FHAB CC(C)CCNC(=O)CCc1nc(-c2ccc(Br)cc2)no1 225820694 GKDDAYGLXMFLKB-UHFFFAOYSA-N 366.259 3.594 0 40 FHAB CCCOc1ccc(NC(=O)[C@](C)(CCC)OC)cc1C(=O)OCC 225796500 MOVMSVOMFFTARN-IBGZPJMESA-N 351.443 3.796 0 40 FHAB Cc1cc(-c2nc3ccccc3s2)ccc1N1C[C@@H](C(=O)O)CC1=O 45886989 KNGZKGFIXDVKBU-ZDUSSCGKSA-N 352.415 3.709 0 40 FHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1Cc1ccco1 222729623 SDLGGBVEXLMYLE-RTBURBONSA-N 366.490 3.744 0 40 FHAB COc1ccc(OCc2noc(CN(C)Cc3sccc3C)n2)cc1 40024633 UIWFSFSXQZWOEC-UHFFFAOYSA-N 359.451 3.659 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C)c1 224193812 XVDHCMXIHAJGKK-JKSUJKDBSA-N 357.450 3.965 0 40 FHAB COCCNC(=S)Nc1cccnc1Sc1ccc(Cl)cc1 225190382 VJKVAUSLGWRHSZ-UHFFFAOYSA-N 353.900 3.819 0 40 FHAB Cc1ccc(C)c(N(CC(=O)O)S(=O)(=O)c2ccc3ccccc3c2)c1 225043200 CRXGBZXUDNRBLT-UHFFFAOYSA-N 369.442 3.737 0 40 FHAB CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc(C)cc1 224699348 OCWZNTKDOOACSK-UHFFFAOYSA-N 369.870 3.881 0 40 FHAB O=C(Nc1ccccc1)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 225485257 LUDHAFJMIMFTJZ-INIZCTEOSA-N 355.369 3.589 0 40 FHAB biogenic,in-vitro CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC(C(=O)OC)CC1 222932731 CTUMAQRKLZLHKJ-SFHVURJKSA-N 361.482 3.553 0 40 FHAB CCn1c(SC)nc2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 95116753 PENVSLPNZLXWAI-UHFFFAOYSA-N 371.531 3.758 0 40 FHAB O=C(Nc1ccc(OC(F)(F)F)c(Cl)c1)N[C@@H]1CCc2n[nH]cc2C1 578235631 OKVBRRDAVKGXSK-SECBINFHSA-N 374.750 3.641 0 40 FHAB COc1ccccc1CN(C(=O)[C@@H]1[C@H]2CCCC[C@H]21)C1CCN(C)CC1 248125659 LLMXNIHECUUSQX-KXTWHKPSSA-N 356.510 3.554 0 40 FHAB CCn1c(CN2[C@H]3CC[C@H]2c2cnc4cc(C)nn4c2C3)nc2ccccc21 257224566 FCHZCNIJDSDRJY-YJBOKZPZSA-N 372.476 3.669 0 40 FHAB COc1cccc(Cc2cnc([C@H]3CCCN3c3ccnc(C)n3)o2)c1 257311763 UKWVYVPBUYQDCW-GOSISDBHSA-N 350.422 3.714 0 40 FHAB C[C@@H]1CN(C(=O)Nc2ccccc2OCCc2ccccc2)C[C@]1(C)CO 1616044365 OMNHERACDLQOAL-VGOFRKELSA-N 368.477 3.790 0 40 FHAB O=S(=O)(NCC[C@@H](O)c1cc2ccccc2o1)c1ccc(Cl)s1 96097285 LPJFBCYRZNDHAY-LLVKDONJSA-N 371.867 3.550 0 40 FHAB COc1ccccc1[C@H](C)NCC(=O)N(Cc1ccco1)CC(F)(F)F 49590364 IUBZIBIHDUTHTE-ZDUSSCGKSA-N 370.371 3.530 0 40 FHAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccccc2COc2ccccc2)C1 40160576 UVDVBYSXEVXXBC-QGZVFWFLSA-N 367.445 3.681 0 40 FHAB CC1CCN([C@@H](CNC(=O)c2ncoc2-c2cccs2)C(C)C)CC1 78562071 BOBLRSNWNNTNSW-HNNXBMFYSA-N 361.511 3.889 0 40 FHAB Cc1cnc(C(=O)N2CCC[C@@]23CN(c2ccc(F)cc2)C(C)(C)C3)cn1 1615118555 GBYMXIKFJNGQIP-OAQYLSRUSA-N 368.456 3.588 0 40 FHAB Cc1ocnc1C(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 1615157953 OZKHIGMYZKFGPB-PBHICJAKSA-N 357.429 3.642 0 40 FHAB Cc1csc2nc(COC(=O)c3ccc(C(C)(C)C)cc3)cc(=O)n12 5103931 WCHXFSRMYWZUIP-UHFFFAOYSA-N 356.447 3.719 0 40 FHAB COc1ccc(-c2nnc3n2N=C(c2ccccc2Cl)CS3)cc1 5575015 MTACFRLRDJPPNN-UHFFFAOYSA-N 356.838 3.965 0 40 FHAB COc1ccc([C@@H](NC(=O)c2cc3cc(C)ccc3[nH]2)c2nccn2C)cc1 12552451 FWGNCXYKOOTMBS-HXUWFJFHSA-N 374.444 3.738 0 40 FHAB COCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccc(C)c(C)c1 13479872 UUOLASITPASWAK-UHFFFAOYSA-N 364.445 3.633 0 40 FHAB CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccccc2)c1 14257768 GLWSWVHHJSIMSB-UHFFFAOYSA-N 361.854 3.815 0 40 FHAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc(F)cc1 17074195 JKXWVFNDCGPURL-UHFFFAOYSA-N 360.344 3.879 0 40 FHAB CCCNC(=O)C1CCN(C(=O)[C@H](C)c2cccc(CC(C)C)c2)CC1 505927983 GUHTZWKHFLGKJD-QGZVFWFLSA-N 358.526 3.753 0 40 FHAB CCN1CCN(c2ccc(NC(=O)c3ccc4ccccc4n3)cc2)CC1 18892159 MRGLGCPYAXYVCG-UHFFFAOYSA-N 360.461 3.629 0 40 FHAB CC(C)n1nc(C(=O)NCc2ccccc2Cl)c2ccccc2c1=O 6790778 DMLGBFMJEJPOMT-UHFFFAOYSA-N 355.825 3.561 0 40 FHAB Cc1nc(N[C@H]2CCN(C3CCOCC3)C2)c2c3c(sc2n1)CCCC3 1889118422 IITQBZYPMZEOLZ-AWEZNQCLSA-N 372.538 3.544 0 40 FHAB CCN(C(=O)OC(C)(C)C)[C@H]1CCO[C@H](c2ccnc(-c3cn[nH]c3)c2)C1 2037845994 JRZNFBAJOOMTEM-WMZOPIPTSA-N 372.469 3.949 0 40 FHAB COc1ccc(CC(=O)Nc2c3c(nn2-c2ccccc2)CSC3)cc1 3892417 WJBKTHRCXHWQDL-UHFFFAOYSA-N 365.458 3.809 0 40 FHAB CC(=O)c1ccc(NC(=O)CSc2ccc(-c3ccco3)nn2)cc1 4357821 WYBXKZVVTWMPFH-UHFFFAOYSA-N 353.403 3.670 0 40 FHAB Cc1sc(NC(=O)CSc2ccc(Cl)cc2)c(C(N)=O)c1C 4570403 YXVJDLRDTWOBMV-UHFFFAOYSA-N 354.884 3.848 0 40 FHAB O=C(CSC1CCCC1)N1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1775974002 UJUAQKVFYMTRAZ-KBPBESRZSA-N 353.919 3.907 0 40 FHAB Cc1cc2ncc(CCCNC(=O)C3(c4cccs4)CCCC3)cn2n1 206820560 ODWFRSAREPMIRK-UHFFFAOYSA-N 368.506 3.660 0 40 FHAB CCc1ccc(C(=O)NCCCCN2CCO[C@H](c3ccccc3)C2)cc1 36700045 LNQFBIXSNAAGGR-QFIPXVFZSA-N 366.505 3.833 0 40 FHAB COc1ccccc1-c1nnc2sc(-c3ccc(N(C)C)cc3)nn12 2389592 DGGGQOSBUWVGLW-UHFFFAOYSA-N 351.435 3.594 0 40 FHAB Oc1nc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)nc2ccsc12 50231535 GDUNSTBBQSYHHR-HNNXBMFYSA-N 373.453 3.717 0 40 FHAB COc1ccc([C@@H](C)NC(=O)COC(=O)c2ccc(F)cc2Cl)cc1 51357220 QHUJDUWUONIESJ-LLVKDONJSA-N 365.788 3.522 0 40 FHAB O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1cc2c(s1)-c1ccccc1CC2 32736024 QRMKYIWOUHPSNS-UHFFFAOYSA-N 374.421 3.650 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)SCCn2c(=O)oc3ccccc32)cc1F 32809808 AGPCPIJCUWJFNK-CYBMUJFWSA-N 374.437 3.802 0 40 FHAB O=C(CCCc1nc(-c2cccs2)no1)Nc1nc2ccccc2[nH]1 32924014 FERQMCWFVDGVMG-UHFFFAOYSA-N 353.407 3.636 0 40 FHAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccnc3)C(=O)[C@H]12 714840 CIEPKKMXGPILDI-ZRDDSIGQSA-N 366.420 3.652 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1 22862019 LILIYJSNGHXVPO-UHFFFAOYSA-N 351.406 3.957 0 40 FHAB C[C@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1S2)[C@H]1C[C@H]2CC[C@H]1C2 104896207 OFQGHFPECRBQRL-AUQLDDPISA-N 356.491 3.556 0 40 FHAB CCCc1n(C[C@H](O)COc2ccc(Cl)cc2)c2ccccc2[n+]1CC 781062 ATZYLDCRGXMBGE-KRWDZBQOSA-N 373.904 3.995 0 40 FHAB Cc1cn2nc(NC[C@@](O)(Cc3ccccc3)c3ccccc3)sc2n1 78583431 IMICPNXIOJSXJS-FQEVSTJZSA-N 364.474 3.642 0 40 FHAB CC[C@@H](OC(=O)CCOc1ccccc1C)C(=O)Nc1ccc(F)cc1 24964021 GRHYPZGRSSZYJF-QGZVFWFLSA-N 359.397 3.864 0 40 FHAB O=C(O)c1cc(S(=O)(=O)Nc2ccccc2F)c(Cl)cc1Cl 3198700 VCKGEUQEYFBEPU-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB Cc1ccc(C(=O)C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)cc1 56349962 REDOTUZVBHCHGK-KRWDZBQOSA-N 353.418 3.764 0 40 FHAB O=S(=O)(c1ccccc1)N(Cc1cccc(F)c1F)c1nccs1 25800634 VFHCMTYXIUFBSG-UHFFFAOYSA-N 366.414 3.817 0 40 FHAB CCOC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(C)cc1 4852404 FWARVAAHNSSOSK-UHFFFAOYSA-N 357.435 3.799 0 40 FHAB CCCCC(=O)N(CCOC)c1nnc(-c2ccc(OCC)cc2)s1 4982635 KRZGYWNSMKVGPG-UHFFFAOYSA-N 363.483 3.773 0 40 FHAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1nc2ccc(F)cc2s1 4997828 YUZSYNBMJUCPKZ-HNNXBMFYSA-N 360.366 3.734 0 40 FHAB COc1ccc(CN(C)C[C@@H](O)CO[C@@H]2CCCc3ccccc32)cc1 6940530 GMYMEZZHOLIHEL-DENIHFKCSA-N 355.478 3.582 0 40 FHAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CNC(=O)c1ccsc1 57559397 GVDIMONJADPDEY-ZWKOTPCHSA-N 356.491 3.663 0 40 FHAB COc1ccc(-c2n[nH]cc2CNCc2ccccc2Cn2cccn2)cc1 12530351 DFYGWAWJLHNSDH-UHFFFAOYSA-N 373.460 3.620 0 40 FHAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(Cn2cc(Cl)cn2)o1 27982324 QJTGTPGQDGNFND-QGZVFWFLSA-N 355.825 3.985 0 40 FHAB NC(=O)[C@H](Sc1nnc(-c2cccs2)n1C1CC1)c1ccccc1 10772144 UTNYYXQNDTVQDK-CQSZACIVSA-N 356.476 3.660 0 40 FHAB O=C(/C=C/c1ccccc1Cl)NCc1cccc(CN2CCOCC2)c1 58458967 SWNKGTOBRARVPN-CMDGGOBGSA-N 370.880 3.502 0 40 FHAB CC(C)CN1CCC(NC(=O)N[C@H](C)c2ccc(OC(F)F)cc2)CC1 45463241 LEEYKRUXTNQZID-CQSZACIVSA-N 369.456 3.769 0 40 FHAB Cc1nc(-c2ccco2)nc2sc(C(=O)N3C[C@@H](C)OC[C@H]3C)c(C)c12 45449636 VXEYMQTYGLEXRL-GHMZBOCLSA-N 371.462 3.818 0 40 FHAB O=C(c1ccc(Cl)cc1F)N1CCC(c2nnc3ccccn23)CC1 45500598 QJTRRAQVPKYHRA-UHFFFAOYSA-N 358.804 3.542 0 40 FHAB CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C)ccc21 22234608 DZSDGHZKURVLTI-UHFFFAOYSA-N 354.837 3.913 0 40 FHAB COc1ccc(C)cc1CN1CCCC[C@@H]1c1cc2nc(C)cc(O)n2n1 100732632 VCGVKBNHCYGDCN-GOSISDBHSA-N 366.465 3.788 0 40 FHAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(Cl)nc1 3248219 AAJJWRKZQXBMMJ-UHFFFAOYSA-N 360.841 3.719 0 40 FHAB CC(=O)c1ccccc1NC(=O)Cn1c(-c2ccc(C)cc2)csc1=O 12256358 WYOHTQSSKZDXCR-UHFFFAOYSA-N 366.442 3.727 0 40 FHAB O=C(Nc1nc2c(s1)CCC2)c1nn(-c2ccccc2)c2c1CCC2 25769258 VXQLYHGJZUTHBM-UHFFFAOYSA-N 350.447 3.559 0 40 FHAB O=C(/C=C/c1ccccc1)OCC(=O)N1CCC(Cc2ccccc2)CC1 3265377 VGUIMUCLRXFJCB-VAWYXSNFSA-N 363.457 3.724 0 40 FHAB Cc1cc(C)c(OCC(=O)Nc2ccc(C)c(N)c2)c(Br)c1 57340535 QURADQMPQOGEGR-UHFFFAOYSA-N 363.255 3.974 0 40 FHAB Cn1c(SCC(=O)NC2CCCC2)nnc1-c1ccc(C(C)(C)C)cc1 3347141 AKXJOUNRHNUJRI-UHFFFAOYSA-N 372.538 3.931 0 40 FHAB CN(CCCOc1ccc(Cl)cc1)C(=O)c1cc2ccccc2oc1=O 48374603 MLHDQLPITKYYAN-UHFFFAOYSA-N 371.820 3.988 0 40 FHAB Cc1ccc(OCc2nc(CC(=O)Nc3cncc(Cl)n3)cs2)cc1 62587235 BQCZKTTYGQBJOG-UHFFFAOYSA-N 374.853 3.655 0 40 FHAB O=C(Nc1ccc(Br)cc1)c1ccc(CN2CCCC2=O)cc1 12817175 MMCWDDKUMHQOEA-UHFFFAOYSA-N 373.250 3.824 0 40 FHAB O=C(CSc1nnc2ccccn12)Nc1ccc(SC(F)F)cc1 3505615 UWAACQPUEOLVLQ-UHFFFAOYSA-N 366.418 3.775 0 40 FHAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1CCOc1ccccc1Cl 3549107 CASOUYXAFCUYFB-HXUWFJFHSA-N 370.836 3.502 0 40 FHAB COc1ccccc1CNC(=O)c1cccnc1SCC(F)(F)F 13008817 GVMKWDXUTUBSFX-UHFFFAOYSA-N 356.369 3.675 0 40 FHAB CN(CCOc1ccccc1Cl)CC(=O)N[C@H]1CCCc2ccccc21 49581225 NOZOYKSQENWFNN-IBGZPJMESA-N 372.896 3.844 0 40 FHAB CSCc1nnc(Sc2ncnc3sc4c(c23)CCCC4)o1 9385371 AVBFGIGLEHUNGS-UHFFFAOYSA-N 350.494 3.967 0 40 FHAB Cc1ccc(Cl)cc1-n1ncc2c1ncn1c(-c3ccco3)nnc21 5151649 KQXOIFZIHYOVCC-UHFFFAOYSA-N 350.769 3.685 0 40 FHAB CC[C@H]1CCCCN1C(=O)CSc1nnc(-c2cccc(C)c2)n1C 9366202 JZIYRSJLAZVIQD-INIZCTEOSA-N 358.511 3.674 0 40 FHAB O=C(N[C@@H](NCCc1ccccc1)C(Cl)(Cl)Cl)c1ccco1 19720823 OYGCQFYNDDTDDW-CQSZACIVSA-N 361.656 3.538 0 40 FHAB CC(=O)Nc1nc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)cs1 65566726 DTGXCOPYPDSWCK-UHFFFAOYSA-N 365.414 3.585 0 40 FHAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(Cl)cc2c1OCOC2 65604214 APWWJBQESGQYHV-ZLIFDBKOSA-N 365.857 3.513 0 40 FHAB Cc1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)n(-c2ccccn2)n1 5560286 QOZWOZBJODOGMJ-UHFFFAOYSA-N 360.339 3.776 0 40 FHAB CC[C@H](C)[C@H](NC(=O)NCC(c1ccccc1)c1ccccc1)C(=O)O 6934274 DPGOGZVMWBVXAL-KXBFYZLASA-N 354.450 3.617 0 40 FHAB CCOc1ccccc1-n1nnnc1SCCOc1ccc(C)cc1 6946234 VIGXEXVCQAXBEU-UHFFFAOYSA-N 356.451 3.541 0 40 FHAB CCCCC[C@@H](C)NC(=O)CSc1nnc(NCc2ccco2)s1 9544393 SPLLPRPEWZHUNO-GFCCVEGCSA-N 368.528 3.920 0 40 FHAB Cn1c(SCC(=O)NCCc2c[nH]c3ccccc23)nc2ccccc21 7154124 DTEWHAATDWFVCF-UHFFFAOYSA-N 364.474 3.506 0 40 FHAB COc1ccc(CCC(=O)OCc2nc3ccccc3s2)cc1OC 7203866 JCZAFYDOVJKFFU-UHFFFAOYSA-N 357.431 3.990 0 40 FHAB Cc1ncc(CN(C)C(=O)Nc2cccc(N3CCCCC3=O)c2)s1 69600130 KHJWVJTWAKFMEX-UHFFFAOYSA-N 358.467 3.632 0 40 FHAB Cc1cc(C(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc23)n(C)n1 84101759 ORNIWNAEBGSIMS-INIZCTEOSA-N 364.474 3.833 0 40 FHAB CCN1C(=O)N/C(=C/c2ccc(-c3cccc(Br)c3)o2)C1=O 409235385 OYFVZNNVWWDBQE-UKTHLTGXSA-N 361.195 3.622 0 40 FHAB COc1ccccc1CNC(=O)C1CCN(Cc2ccc(C)cc2)CC1 39767132 YGEUZYCKHWMLTN-UHFFFAOYSA-N 352.478 3.532 0 40 FHAB COC(=O)c1cn([C@@H](C)C(=O)Nc2ccc(OC)cc2)c2ccccc12 409204958 DPZGSQAIAQFAMH-ZDUSSCGKSA-N 352.390 3.636 0 40 FHAB O=C(NCc1ccccn1)c1ccc(OCc2nc(C3CC3)cs2)cc1 56907773 GJTPEHQJVQBERS-UHFFFAOYSA-N 365.458 3.925 0 40 FHAB COc1ccc(S(=O)(=O)N(Cc2ccco2)c2ccc(F)cc2)cc1 32632658 KHMYDSVAIDYRMG-UHFFFAOYSA-N 361.394 3.823 0 40 FHAB COc1ccc(-c2oc3cc(OC)c(OC)c(OC)c3c2CC(=O)O)cc1 1547139194 LSDZWIGVWMUQSB-UHFFFAOYSA-N 372.373 3.761 0 40 FHAB biogenic C=C1c2ccccc2C(=O)N1CC(=O)Nc1cc(CC2CCCCC2)n[nH]1 63783282 QZJIAWYOLRJWNF-UHFFFAOYSA-N 364.449 3.598 0 40 FHAB Cc1noc(C)c1-c1nc(NCc2ccccn2)ncc1-c1ccncc1 72342858 JJNVBYABURTQJN-UHFFFAOYSA-N 358.405 3.818 0 40 FHAB COc1ccc(CCNC(=O)Cn2ccc3ccc(Cl)cc32)cc1OC 32104077 MBPQHNLMGIDNFQ-UHFFFAOYSA-N 372.852 3.671 0 40 FHAB CCc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2cc(C)ccc2C)cc1 32929606 YEXBXIHLDPREAW-MRXNPFEDSA-N 359.491 3.808 0 40 FHAB COc1ccc(Cl)cc1NC(=O)NCC1CCN(c2ccccn2)CC1 43976560 KUWQTFVUOQWHCW-UHFFFAOYSA-N 374.872 3.782 0 40 FHAB CCCOC(C)(C)C(=O)Nc1ccc(OC(C)C)c(C(=O)OCC)c1 225837589 MZCOILPRIUBMPS-UHFFFAOYSA-N 351.443 3.794 0 40 FHAB CCN1CCN(c2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2N)CC1 226265335 VWTRQKCJVAYDPC-UHFFFAOYSA-N 366.509 3.786 0 40 FHAB C[C@@H]1CN(C(=O)Nc2cccc(COCCOc3ccccc3)c2)CCO1 47606458 MDAZELCSFJVZSG-QGZVFWFLSA-N 370.449 3.535 0 40 FHAB Cc1ccc(NC(=S)NCc2cccc(F)c2)cc1N1CCCC1=O 225837502 OQXHQALPUMFJOQ-UHFFFAOYSA-N 357.454 3.748 0 40 FHAB O=C(NCc1cccs1)[C@H]1C[C@]12CCN(C(=O)c1cccc(Cl)c1)C2 96227622 SLZVDFVDGWGHEI-APWZRJJASA-N 374.893 3.570 0 40 FHAB c1cc(-c2ccc3nc(C4CCN(Cc5ccoc5)CC4)nn3c2)ccn1 96038242 OACGDSVERWLODH-UHFFFAOYSA-N 359.433 3.764 0 40 FHAB COC(=O)C[C@@H](c1ccc(SC)cc1)c1c(O)ccc2nsnc12 96230830 WYCMSYOJHGKZKQ-LBPRGKRZSA-N 360.460 3.814 0 40 FHAB O=c1c(-c2ccc(F)cc2)coc2c3c(ccc12)OCN(CCCCO)C3 585152494 QFNBUUZIWSPRTI-UHFFFAOYSA-N 369.392 3.524 0 40 FHAB O=C(CN1CCCC1)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257256615 KMFQGPVLCBLVMH-GOSISDBHSA-N 373.884 3.678 0 40 FHAB O=C(c1ccccn1)N1CCC[C@@]2(C[C@@H](Oc3ccccc3Cl)CO2)C1 257253356 JYOAUQKQUORJNX-FOIQADDNSA-N 372.852 3.578 0 40 FHAB CCCn1cc(-c2cnc([C@@H]3CCCN(C(=O)C(C)(C)C)C3)cn2)cn1 257335607 YLAVUCFQVKFZGI-OAHLLOKOSA-N 355.486 3.502 0 40 FHAB Cc1cc(C(=O)N2CC3(C[C@H](Oc4cccnc4)CS3)C2)sc1C 253599271 NEMBQKQMTAVYKE-HNNXBMFYSA-N 360.504 3.539 0 40 FHAB CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(SC)CC1 601864175 KLFOJSDIJDLBFY-CYBMUJFWSA-N 364.490 3.909 0 40 FHAB CCc1cccc2c(CCNC(=O)c3ccc(NCC4CC4)nc3)c[nH]c12 1136786364 YQBQQJZEWSBODR-UHFFFAOYSA-N 362.477 3.920 0 40 FHAB CC(C)(CCc1ccccc1)NC[C@H](O)c1ccc2c(c1)CCC(=O)N2 5439974 YYUZPBGIBVJYSI-FQEVSTJZSA-N 352.478 3.606 0 40 FHAB in-man O=C(c1ccccc1-n1cnnn1)N(Cc1ccccc1)Cc1ccccc1 12409696 NSKXFGBCYIVLPP-UHFFFAOYSA-N 369.428 3.505 0 40 FHAB CCOc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc4nccnc4c3)C2)cc1 12409914 LBXFDXOGZUTPSC-OAQYLSRUSA-N 360.417 3.726 0 40 FHAB COc1ccc(-c2cc(CC(=O)Nc3ccc(OC)c(OC)c3)no2)cc1 12866958 YNVVYGNSLJIKPQ-UHFFFAOYSA-N 368.389 3.549 0 40 FHAB CCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)O)cc2C)cc1OC 13390798 OPBXQTQUTNPUTJ-UXBLZVDNSA-N 355.390 3.752 0 40 FHAB O=C(Oc1ccc(-n2cnnn2)cc1)c1ccccc1Oc1ccccc1 14791037 BYECZQQOENKNRU-UHFFFAOYSA-N 358.357 3.674 0 40 FHAB CCN(CC(=O)NCc1ccc(F)cc1)Cc1cccc(C(F)(F)F)c1 15295735 XMWOHFUCHYEXNV-UHFFFAOYSA-N 368.374 3.983 0 40 FHAB CC(C)(C)c1[nH]c2ncccc2c1CN1CCC[C@H](CN2CCCC2=O)C1 19083452 ONOAONLLJCRSNA-INIZCTEOSA-N 368.525 3.695 0 40 FHAB Cc1ccc(CC(=O)N2CCC[C@@H]2c2nnc(-c3scnc3C)o2)cc1 19209616 SMXWJFZUJROGEB-OAHLLOKOSA-N 368.462 3.716 0 40 FHAB Cc1ccc(CN2CCc3c(nc4cc(C(C)(C)C)nn4c3O)C2)cc1 19210392 MAVHNOAGMSPGTP-UHFFFAOYSA-N 350.466 3.599 0 40 FHAB O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc2cccc(F)c2[nH]1 19346852 OLQRMTVCCIRVPX-UHFFFAOYSA-N 352.344 3.943 0 40 FHAB CC(C)CC(=O)N[C@H](Cc1cc(N(C)C)nc(C2CC2)n1)c1ccccc1 19446614 QNRMJZPLLFVLNF-LJQANCHMSA-N 366.509 3.866 0 40 FHAB CCn1nc(C)c(-c2cncn2CCCOc2cccc(OC)c2)c1C 19719615 UNDXKTKSEJEWJU-UHFFFAOYSA-N 354.454 3.861 0 40 FHAB COc1ccc2c(c1)CN(C(=O)C1(c3ccc(C)cc3)CCOCC1)CC2 110248014 IOCUREMJNJNAKN-UHFFFAOYSA-N 365.473 3.637 0 40 FHAB Cc1cc(C(=O)NC[C@@H]2CCC[C@H]2c2ccccc2)n(C2CCOCC2)n1 529442500 MEVCFXTVKHDTCA-ICSRJNTNSA-N 367.493 3.857 0 40 FHAB O=C(CCC(=O)c1ccccc1)OCc1csc(-c2ccccn2)n1 12474769 BSPQKTCWWDZURA-UHFFFAOYSA-N 352.415 3.911 0 40 FHAB COCc1c(C(=O)NC[C@@H](c2ccsc2)N(C)C)oc2ccccc12 25329246 IMCDLHLYGVMKJG-INIZCTEOSA-N 358.463 3.673 0 40 FHAB Cc1ccccc1-c1nnc(SCCn2c(=O)oc3ccccc32)o1 26013091 YPNPBKOZASEWQT-UHFFFAOYSA-N 353.403 3.745 0 40 FHAB CN(C)[C@H](CNC(=O)COc1ccccc1F)c1cccc2ccccc12 10330516 CTHUKAPNDFPQMA-HXUWFJFHSA-N 366.436 3.777 0 40 FHAB O=C1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)Oc2ccc(F)cc21 15083946 HCQYCPPKKHECLX-OAHLLOKOSA-N 353.271 3.817 0 40 FHAB Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3F)c2)cc1C 15883184 CQYCQUIHXHFXJA-UHFFFAOYSA-N 350.393 3.905 0 40 FHAB O=C(CSc1ccccc1)Nc1nc2cc3c(cc2s1)OCCO3 11751329 SZYMJEXBQSKEAE-UHFFFAOYSA-N 358.444 3.798 0 40 FHAB COc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 51364450 MAHWFIYWGOUTNA-SFHVURJKSA-N 360.413 3.854 0 40 FHAB CC(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc3oc(C(C)C)nc3c2)C1 52642053 WIIRFVJMGCJXHL-CQSZACIVSA-N 357.454 3.784 0 40 FHAB O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NC1CCCCCC1 41253730 GQOQKQGBFBALER-UHFFFAOYSA-N 373.884 3.793 0 40 FHAB C[C@@H](CNC(=O)c1cc(F)ccc1Br)N(C)c1ccccc1 32931209 GMPNJZKVJLHYGZ-LBPRGKRZSA-N 365.246 3.843 0 40 FHAB COC(=O)c1cnc(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)s1 21865261 NJEPBQGBKRKXDV-NSHDSACASA-N 370.430 3.834 0 40 FHAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cccc(C(=O)NC2CC2)c1 22228667 NWNKZIGOCYIYFG-ZDUSSCGKSA-N 372.852 3.947 0 40 FHAB NC(=O)c1sc2nc(Cc3ccccc3)cc(C(F)(F)F)c2c1N 664854 WMHPSFAHYUOFQO-UHFFFAOYSA-N 351.353 3.587 0 40 FHAB C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCN(Cc2ccsc2)CC1 22912751 TYOAXQSQXITKPQ-CQSZACIVSA-N 363.914 3.546 0 40 FHAB CCOC(=O)N(C)c1ccc(NC(=O)c2cc(Br)c[nH]2)cc1 54312748 CAXKFCUKKVVHOQ-UHFFFAOYSA-N 366.215 3.622 0 40 FHAB O=C(N[C@H](Nc1ccccc1F)C(Cl)(Cl)Cl)c1ccco1 824889 IRPMVTYKUUVFTF-LBPRGKRZSA-N 351.592 3.957 0 40 FHAB O[C@@H](CN1CCc2ccccc2C1)Cn1c2c(c3ccccc31)CCCC2 3181549 BXUIDPQAETUCEV-FQEVSTJZSA-N 360.501 3.939 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c(C)cccc2C)cc1 3218729 DLCQVHSYHCRARR-UHFFFAOYSA-N 360.479 3.586 0 40 FHAB O=C(Cc1nc(=O)c2ccccc2s1)Nc1cccc(C(F)(F)F)c1 3190093 UUNNIONUPFLANU-UHFFFAOYSA-N 364.348 3.857 0 40 FHAB CC(=O)Nc1ccc(S(=O)(=O)c2ccnc3cc(Cl)ccc23)cc1 6210073 PPJUZKBMWVBBEJ-UHFFFAOYSA-N 360.822 3.679 0 40 FHAB C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc(F)c(F)c1 12562553 YVYKUORKTHHKCS-LBPRGKRZSA-N 359.376 3.531 0 40 FHAB Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc(C)cc4C)CC3)n[nH]2)cc1 57477106 QKCDBPSTICKZIL-UHFFFAOYSA-N 374.488 3.964 0 40 FHAB C[C@@H]1CCc2c(C(=O)OCC(=O)Nc3ccc(N(C)C)cc3)csc2C1 57503020 IVVWDFIWTDFLOJ-CYBMUJFWSA-N 372.490 3.734 0 40 FHAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc2c(c1)OCCO2 8324807 KLBIFQXHEFILNS-UHFFFAOYSA-N 353.374 3.752 0 40 FHAB COc1ccc(-c2oc3ccc(C)cc3c(=O)c2O[C@H](C)C(=O)O)cc1 1951622 NABFIHQIJTXQLN-GFCCVEGCSA-N 354.358 3.629 0 40 FHAB O=C(COc1cccc(Cl)c1)NC[C@H](c1cccs1)N1CCCC1 27664241 PEBTYZULZMLRFW-MRXNPFEDSA-N 364.898 3.734 0 40 FHAB COc1ccc(-c2cnc(C(=O)NCCc3c[nH]c4ccccc34)o2)cc1 9321687 BIDIEKRLFDPIMC-UHFFFAOYSA-N 361.401 3.804 0 40 FHAB [O-][n+]1ccccc1SCc1nnc(-c2ccc(Cl)cc2Cl)o1 58356944 RSZSMBWOVWYTQO-UHFFFAOYSA-N 354.218 3.969 0 40 FHAB O=C(NC1CCCCC1)C1CCN(CCCc2nc3ccccc3o2)CC1 58393045 SLJMXGQRZRLRGY-UHFFFAOYSA-N 369.509 3.921 0 40 FHAB COc1ccc(Br)c(NC(=O)c2cc3ccccc3oc2=O)c1 58307989 HYQOJKLGYLICNH-UHFFFAOYSA-N 374.190 3.816 0 40 FHAB CC(=O)N[C@H]1C(=O)N(CCCOc2ccc3ccccc3c2)c2ccccc21 100485427 YEGNCLXTVYGUSG-JOCHJYFZSA-N 374.440 3.833 0 40 FHAB O=C(Nc1ccc(Cn2cccn2)cc1)C1=Cc2cc(Cl)ccc2OC1 58424930 VTLZNYZISKIPMN-UHFFFAOYSA-N 365.820 3.999 0 40 FHAB CCOC(=O)c1c(C(=O)OCC)c(C)n(Cc2ccccc2OC)c1C 2275087 MQYLBKGILNCNRQ-UHFFFAOYSA-N 359.422 3.515 0 40 FHAB CC(C)[C@H](NC(=O)Cn1cnc2ccccc2c1=O)c1ccc(Cl)cc1 10856242 HPJJBPWOGJYPBV-IBGZPJMESA-N 369.852 3.563 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)N(C)[C@@H](C)c1ccc(F)cc1 10856865 XICMZFYUHCXDEI-ZDUSSCGKSA-N 359.397 3.635 0 40 FHAB O=C(NCc1coc(-c2cccs2)n1)c1cccc(OC(F)F)c1 10875302 HGEDSVDOXVKERI-UHFFFAOYSA-N 350.346 3.935 0 40 FHAB CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1cccc(Cl)c1 2487077 XFBVGERHUQPXHL-QMTHXVAHSA-N 364.854 3.552 0 40 FHAB CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nnnn1-c1cccc(C)c1C 11623346 MEIOJCBGKRLIDW-JKSUJKDBSA-N 373.526 3.551 0 40 FHAB CCC(=O)Nc1ccc(NC(=O)NC[C@H](C)Cn2nc(C)cc2C)cc1C 47967650 XHULOPSAVSSPHU-ZDUSSCGKSA-N 371.485 3.615 0 40 FHAB C[C@@H]1CCC2=NN(C(=O)c3ccc(Cl)cc3)[C@](O)(C(F)(F)F)[C@@H]2C1 20034118 VHDNLZPAGIEZFC-DDHOLCJHSA-N 360.763 3.839 0 40 FHAB Cc1cccc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3C)CC2)c1C 2693012 HKZXKVJASPGUJY-UHFFFAOYSA-N 372.534 3.740 0 40 FHAB COc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 12042901 BBRNJKIJEVAXRD-UHFFFAOYSA-N 372.380 3.748 0 40 FHAB CN(Cc1ccc(F)cc1F)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 47077060 PPLWWOWXXPFODO-UHFFFAOYSA-N 361.373 3.548 0 40 FHAB O=C(NCc1ccc(Cl)cc1)c1nc(Cc2c[nH]c3ccccc23)no1 12389904 VYVBDLZQHNQSJO-UHFFFAOYSA-N 366.808 3.725 0 40 FHAB CCc1cc(O)n2nc([C@H]3CCCCN3Cc3cccc(OC)c3)cc2n1 100727908 MVHGWMDAQLKRPW-LJQANCHMSA-N 366.465 3.733 0 40 FHAB CC(C)C[C@H](C(=O)NC1CCCCCCC1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 103008525 ATHKDBDBTGEMFW-CEXWTWQISA-N 374.525 3.581 0 40 FHAB Cc1ccc(Cl)c(OCC(=O)Nc2ccccc2N2CCCC2=O)c1 12786342 WYOOXWPVWOAJTF-UHFFFAOYSA-N 358.825 3.793 0 40 FHAB CCCc1ccc(-c2nc(NC(=O)c3nccnc3N)sc2C)cc1 12762454 KVFVXUKTSSIPHZ-UHFFFAOYSA-N 353.451 3.696 0 40 FHAB COc1ccccc1NC(=O)c1c(C)nc2cc3c(cc2c1C)OCO3 3338401 UKZBWGUDSLHGDC-UHFFFAOYSA-N 350.374 3.841 0 40 FHAB Cc1cccc2c(=O)[nH]c(CSc3nnc(C(C)C)n3C3CC3)nc12 10926926 ZNKPGKWJLHAXFZ-UHFFFAOYSA-N 355.467 3.574 0 40 FHAB c1ccc(-c2nc(N3CCN(C[C@@H]4CCCO4)CC3)nc3ccccc23)cc1 12803709 WZJYJKCGVZHAEQ-IBGZPJMESA-N 374.488 3.598 0 40 FHAB COc1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 115081369 JXIUBNULTPEUQQ-INIZCTEOSA-N 361.397 3.807 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1 64983003 JARNSJIBTUJWKQ-KRWDZBQOSA-N 354.450 3.546 0 40 FHAB CCCn1nc(C(=O)Nc2nc3ccccc3s2)c2ccccc2c1=O 3517018 LIYMQIUOGDUZFN-UHFFFAOYSA-N 364.430 3.669 0 40 FHAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1cccc(Cl)c1 13061246 RXPNVTAXUCGTBA-KRWDZBQOSA-N 372.852 3.887 0 40 FHAB O=C(Nc1n[nH]c2nc(-c3ccccc3)c(Br)cc12)C1CC1 13538555 RPSIDICSSBFGPU-UHFFFAOYSA-N 357.211 3.736 0 40 FHAB in-vitro Cc1ccc(NC(=O)COC(=O)c2nccc3ccccc23)c(Cl)c1 64875132 SAHUMNZNAZZJEM-UHFFFAOYSA-N 354.793 3.992 0 40 FHAB C[C@H](NC(=O)Cc1cn2ccsc2n1)c1ccccc1Br 23526118 KENMOCFSTPROKT-JTQLQIEISA-N 364.268 3.578 0 40 FHAB CCN(CC)CCCn1c(C)c(C)c2c(NCc3ccco3)ncnc21 5345502 YSPJYWZCFZXOKZ-UHFFFAOYSA-N 355.486 3.985 0 40 FHAB Clc1ccc(-c2nnc3sc(-c4ccc5c(c4)OCCO5)nn23)cc1 4511684 REGKHZMWWDEBQV-UHFFFAOYSA-N 370.821 3.944 0 40 FHAB CCOc1ncccc1C(=O)Nc1nn2cc(-c3ccccc3)nc2s1 6505820 QCQYEGQKAPTJEC-UHFFFAOYSA-N 365.418 3.504 0 40 FHAB COc1cccc(C(=O)Nc2cc(C(=O)NCC(C)C)ccc2Cl)c1 4659974 XWKWUTSIUHZWFT-UHFFFAOYSA-N 360.841 3.987 0 40 FHAB O=C(Cc1ccccc1)NC(=S)Nc1ccccc1N1CCCCC1 4703937 IQDZMSOIXAYAPA-UHFFFAOYSA-N 353.491 3.733 0 40 FHAB Cc1ccc(-c2csc(NC(=O)c3nn(-c4ccccc4)nc3C)n2)o1 14914063 KPFCAODSEHHWDR-UHFFFAOYSA-N 365.418 3.853 0 40 FHAB CN(C)c1cccc(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)c1 66802781 BJEHPKUOJKSLCV-UHFFFAOYSA-N 361.449 3.600 0 40 FHAB O=C(C[C@H]1OC(=O)c2ccccc21)NCCc1ccc(C(F)(F)F)cc1 15651126 FNDSHAASWOMNEY-MRXNPFEDSA-N 363.335 3.666 0 40 FHAB Cc1ccn(-c2ccc(NC(=O)c3cccc(Cn4cccn4)c3)cc2)n1 28244024 JFPAIIPBJGYCBF-UHFFFAOYSA-N 357.417 3.678 0 40 FHAB Cc1nccc(CNC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)n1 67806262 KKERGGHEMZSNHN-UHFFFAOYSA-N 369.428 3.568 0 40 FHAB O=C(Cn1cnc2sccc2c1=O)Nc1ccccc1-c1ccccc1 7495082 IWJVONDYJRPJDP-UHFFFAOYSA-N 361.426 3.764 0 40 FHAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)NCCOc1ccccc1 8015017 SYCGTVKLQJZDAS-UHFFFAOYSA-N 361.854 3.504 0 40 FHAB CN(C)c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1F 83854325 VAESNNOQFSVWNO-MOPGFXCFSA-N 360.404 3.681 0 40 FHAB C[C@@H]1CC(=O)c2c(OCC(=O)N3CCCc4ccccc43)ccc(F)c21 8325420 MYMWXJUXRVBOIV-CYBMUJFWSA-N 353.393 3.874 0 40 FHAB COc1ccc(Cl)cc1C(=O)NCc1ccc(CN2CCCC2)cc1 8430207 WWWYCDMRTPSIKI-UHFFFAOYSA-N 358.869 3.874 0 40 FHAB COc1cc(C(=O)NCCOc2ccc(Cl)cc2)cc(Cl)c1OC 18150902 POOMUJUWJVNILO-UHFFFAOYSA-N 370.232 3.819 0 40 FHAB COCCn1c(C)cc(C(=O)CSc2nc(C3CCCC3)n[nH]2)c1C 8748199 RDXVYAKPSIZKHO-UHFFFAOYSA-N 362.499 3.502 0 40 FHAB CCOc1ccc(-c2nonc2NC(=O)COc2ccc(C)c(C)c2)cc1 8917433 AXYHHVIOPWKNKE-UHFFFAOYSA-N 367.405 3.770 0 40 FHAB COC(=O)c1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2cccs2)cc1 72404070 BQRMWQVLGIYEMT-HNNXBMFYSA-N 367.430 3.903 0 40 FHAB CN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)N(C)C1=S 409038631 PTZITHYGCFQBEN-UNOMPAQXSA-N 361.470 3.719 0 40 FHAB COc1ccc(C(=O)N[C@H](C)c2ccccc2OC(F)F)cc1OC 29137619 WKSFYVZRWYWLQG-LLVKDONJSA-N 351.349 3.796 0 40 FHAB CC(C)[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)O 95997732 DHEBMEOGIMGULX-LJQANCHMSA-N 367.424 3.877 0 40 FHAB C[C@H](CC(=O)N1CCCc2c(NC(N)=O)cccc21)c1ccccc1F 89894523 JKNRKYLEEIRGCQ-CYBMUJFWSA-N 355.413 3.789 0 40 FHAB c1ccc(CN2CCC(NCc3ccnc(N4CCCCC4)c3)CC2)cc1 75809294 ZUNUHJVMUKPUJB-UHFFFAOYSA-N 364.537 3.826 0 40 FHAB O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1noc2c1CCCCC2 20457975 SEKJXJJWNNSLSS-UHFFFAOYSA-N 354.385 3.580 0 40 FHAB Cc1ccsc1[C@@H](O)CNC(=O)COc1ccc(Cl)cc1Cl 70635687 VFNXBSKJDHIZPV-LBPRGKRZSA-N 360.262 3.592 0 40 FHAB O=C(CC1CCCC1)N1CCCC[C@H]1c1ccnc(Nc2cnccn2)n1 72377976 SALZXNBMACNLAE-KRWDZBQOSA-N 366.469 3.644 0 40 FHAB COc1ccc(CCCNC(=O)[C@H](C)Oc2ccccc2C)cc1OC 219288637 RIFNNBUHMBTVMK-INIZCTEOSA-N 357.450 3.529 0 40 FHAB COc1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)c(OC)c1 39771966 UXVVQYXSWJWPLX-UHFFFAOYSA-N 372.440 3.694 0 40 FHAB CC(C)n1nccc1NC(=O)[C@@H](C)Nc1ccc(Br)cc1 32512476 XALNGCBDAKAEQJ-LLVKDONJSA-N 351.248 3.666 0 40 FHAB Cc1cnc(-c2noc(-c3n[nH]c(C4CC4)c3Br)n2)s1 560348508 KQERTXSKJDZCAY-UHFFFAOYSA-N 352.217 3.532 0 40 FHAB COc1cccc(CN2CC[C@@H](c3nc(-c4cccc(OC)c4)no3)C2)c1 72369872 XYCBSQIVDBWDEL-QGZVFWFLSA-N 365.433 3.743 0 40 FHAB C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 562147754 RQLGLEFVAZXXBK-ZBFHGGJFSA-N 373.888 3.616 0 40 FHAB Cc1cc(N2CCOCC2)ncc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72219428 FTURTYIVCOTOHP-KRWDZBQOSA-N 361.486 3.689 0 40 FHAB COc1ccccc1[C@@H](O)CNC(=O)Nc1cc(Cl)cc(Cl)c1 40096657 HOZWTRCCDSNCSB-AWEZNQCLSA-N 355.221 3.857 0 40 FHAB COc1ccc(-c2noc(-c3ccc(=O)n(Cc4ccc(C)cc4)c3)n2)cc1 49007381 ZNOCJNSVVAHZMZ-UHFFFAOYSA-N 373.412 3.931 0 40 FHAB CCCC[C@](C)(OCC)C(=O)Nc1cnc(OCCOCC)c(C)c1 225896971 KQTDXRKABUSGLP-IBGZPJMESA-N 352.475 3.729 0 40 FHAB O=S(=O)(Nc1cncc2ccccc12)c1ccccc1OC(F)(F)F 534674781 FKXBCYFXAZMWGC-UHFFFAOYSA-N 368.336 3.934 0 40 FHAB COc1ccc(C(=O)NCc2ccc(-n3ccnc3C)cc2)cc1Cl 222588729 OUOLJNSIQBSHAU-UHFFFAOYSA-N 355.825 3.773 0 40 FHAB COc1ccc(-c2nnc(NC(=O)COc3cc(C)cc(C)c3)s2)cc1 223322292 RVTUGNLHECCKSA-UHFFFAOYSA-N 369.446 3.848 0 40 FHAB Cn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1F 224439319 ZLVZBGCXYSOEEL-ZWKOTPCHSA-N 352.438 3.736 0 40 FHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 222651068 PXLMDRLZUQICQK-CQSZACIVSA-N 352.434 3.930 0 40 FHAB CN(C)CCOc1ccc(CNC(=O)c2cccc(Cl)c2Cl)cc1 48356030 WRFONOMEFJRDNA-UHFFFAOYSA-N 367.276 3.864 0 40 FHAB CCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCC(C)C)c1ccccc1 223337618 MGMQLBYRMIDFFS-OAQYLSRUSA-N 352.478 3.939 0 40 FHAB CN(c1cc(C(=O)NC2CCCCCCC2)ccc1Cl)S(C)(=O)=O 225974741 RSZCEVJMPBHLMN-UHFFFAOYSA-N 372.918 3.579 0 40 FHAB CCN(C(=O)CSc1n[nH]c(Cc2ccccc2)n1)c1ccccc1 193411153 OITKJHVPWDJTDS-UHFFFAOYSA-N 352.463 3.541 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1C 224703977 CIEMHVWBGMCZAJ-IBGZPJMESA-N 366.505 3.789 0 40 FHAB O=C(CCc1ccccc1)NC1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 98212606 WXIIEHLTDABLDF-UHFFFAOYSA-N 374.488 3.795 0 40 FHAB Cc1cc(NC(=O)N[C@@H]2C[C@H](C)n3ccnc32)cnc1N1CCCC[C@H]1C 333294311 BFWGBDPMBFVUQM-HLLBOEOZSA-N 368.485 3.793 0 40 FHAB O=C(CCc1ccccc1)N1CC[C@@H](c2ccnc(Nc3ccccn3)n2)C1 257212906 CFKBFPTUPJVAFK-GOSISDBHSA-N 373.460 3.564 0 40 FHAB CCOCC[C@@H]1CCOC12CCN(C(=O)c1ccnc3ccccc13)CC2 253381356 DLOYVHUFEITUNG-QGZVFWFLSA-N 368.477 3.673 0 40 FHAB CCc1sc(C(=O)N=c2[nH]nc(C(C)C)s2)cc1Br 559147800 GACFIFLJVAXSPY-UHFFFAOYSA-N 360.302 3.722 0 40 FHAB C[C@H](c1nc(CC(=O)NC2CCCC2)no1)c1ccccc1C(F)(F)F 608346362 PFYYEENOGIHMEK-NSHDSACASA-N 367.371 3.842 0 40 FHAB CC1(C)CC[C@H]2C[C@H](NC(=O)c3ccc4oc(O)nc4n3)c3cccc1c32 613276398 BAEMFSPBYBHONE-NHYWBVRUSA-N 363.417 3.958 0 40 FHAB OCc1ccc(F)c(CN2CCc3sc(Br)cc3C2)c1 625260939 FHPVQPNXSLQFGA-UHFFFAOYSA-N 356.260 3.700 0 40 FHAB Cn1nc(CNC(=O)c2ccc(OC(F)(F)F)cc2)cc1-c1ccco1 90607014 VXRRYCKQPICONQ-UHFFFAOYSA-N 365.311 3.509 0 40 FHAB CCOc1cc2c(cc1NC(=O)C[C@H]1NCc3ccccc31)O[C@H](C)C2 659267270 YUXKOLSWZVXXST-CXAGYDPISA-N 352.434 3.582 0 40 FHAB CCc1nnc(-c2ccc(NC(=O)NC[C@H]3CCN(C(C)(C)C)C3)cc2)o1 666237995 PNXNVRSSPKRCPK-CQSZACIVSA-N 371.485 3.541 0 40 FHAB CSc1ccc([C@@H](O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 96103113 DHCFXBOJSTZDIW-HNNXBMFYSA-N 355.381 3.891 0 40 FHAB Cc1cc(OC[C@@H]2CCCN(c3cc(C(F)(F)F)nc(C)n3)C2)ccn1 1776001246 HCMHNWFLRSSNGJ-CQSZACIVSA-N 366.387 3.803 0 40 FHAB CCc1ccc(-c2noc(CCC(=O)N[C@H](C)c3ccncc3)n2)cc1 48276766 MNIDQDBRBUWKTJ-CQSZACIVSA-N 350.422 3.504 0 40 FHAB CCc1cccc(C)c1NC(=O)CN1CCN(c2cccc(C)c2)CC1 57358667 OAQIOANXIZVJAR-UHFFFAOYSA-N 351.494 3.627 0 40 FHAB O=C(NCc1cccs1)NCc1nn(C2CCCC2)c2c1CCCC2 96099254 PRYXAZUZASSXOK-UHFFFAOYSA-N 358.511 3.938 0 40 FHAB Cc1[nH]c2ccc(F)cc2c1CCNC(=O)c1ccc(NCC2CC2)nc1 1635160280 XXKISJSHJSDMNV-UHFFFAOYSA-N 366.440 3.805 0 40 FHAB Cc1ccc(S(=O)(=O)CC(=O)Nc2cccc(Cl)c2Cl)cc1 5188802 CQLFKKGSCHRUCG-UHFFFAOYSA-N 358.246 3.714 0 40 FHAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(Cl)c1Cl 5786317 MPCBCGOEIPBVBW-CQSZACIVSA-N 372.321 3.655 0 40 FHAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(C(C)=O)cc1 11694357 YECSWVHQYPJWCD-UHFFFAOYSA-N 367.380 3.865 0 40 FHAB CN(C)[C@@H](CNC(=O)c1cc(C2CCCCC2)no1)c1ccc(F)cc1 12198427 SRBXJRXGALSVKF-SFHVURJKSA-N 359.445 3.894 0 40 FHAB CCCCCCc1c(C)nc(N2CCN(c3ccc(F)cc3)CC2)[nH]c1=O 14608481 XEHHIMDGMGONNW-UHFFFAOYSA-N 372.488 3.667 0 40 FHAB C[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)C[C@@H](C)O3)cs1)n1ccnc1 19498227 FDKCUVZOXFDLCT-NEPJUHHUSA-N 354.435 3.530 0 40 FHAB Cc1cccn2cc(C(=O)Nc3nnc(CCc4ccccc4)s3)nc12 19665464 YBCIAQWOSFUIGN-UHFFFAOYSA-N 363.446 3.532 0 40 FHAB Cn1nccc1CN1CCO[C@@H](c2ccc(-c3cccc(Cl)c3)cn2)C1 19692443 SMRURXYXOSVWIZ-HXUWFJFHSA-N 368.868 3.709 0 40 FHAB C[C@H](NC(=O)CC1CCN(C(=O)CC2CCCCC2)CC1)c1ccccn1 19748808 OFWYVMSZDMYLHR-KRWDZBQOSA-N 371.525 3.858 0 40 FHAB CSc1ccc([C@@H](C)NC(=O)c2cnc(-c3ccccc3)[nH]c2=O)cc1 19937348 OTSNAYCNXWFETA-CYBMUJFWSA-N 365.458 3.650 0 40 FHAB CCc1ccccc1OCC(=O)OCC(=O)Nc1cc(Cl)ccc1C 3253841 SRGHOJBBUBDYHW-UHFFFAOYSA-N 361.825 3.772 0 40 FHAB O=C(CCOc1ccccc1)NCc1ccc(NC(=O)c2ccco2)cc1 11145276 PFDPOZAGKQNSOY-UHFFFAOYSA-N 364.401 3.617 0 40 FHAB CC(=O)Nc1ccc(NS(=O)(=O)c2cccs2)c(C(F)(F)F)c1 11265296 VAQGXTBPBSEWBT-UHFFFAOYSA-N 364.370 3.526 0 40 FHAB Cc1cnc(N(C)[C@@H]2CCCN(c3ncc(Cl)cc3Cl)C2)nc1 1889103560 STNSMWASGPTGBR-CYBMUJFWSA-N 352.269 3.592 0 40 FHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cn(C)c2ccccc12 24395806 YFRPXZJEWBTERT-UHFFFAOYSA-N 358.445 3.695 0 40 FHAB Cc1cccn2c(=O)nc(SCc3ccc(C(F)(F)F)cc3)nc12 4504132 SNVXGYLWDUBTFH-UHFFFAOYSA-N 351.353 3.709 0 40 FHAB O=C(NCCc1ccccc1)N1CCn2cccc2[C@@H]1c1ccccc1F 4854309 IVTXMDJHXHUXBA-NRFANRHFSA-N 363.436 3.985 0 40 FHAB O=C(NCCn1cc(-c2ccco2)cn1)c1csc(-c2ccccc2)n1 575615381 OLCBSMKGSLUNQX-UHFFFAOYSA-N 364.430 3.697 0 40 FHAB O=S(=O)(NCc1ccc(-c2ccco2)o1)c1ccc2c(c1)CCCC2 575610434 MXBZHTMKUPANCT-UHFFFAOYSA-N 357.431 3.897 0 40 FHAB COc1cccc(N2C(=O)[C@H]3CS[C@H](c4ccc(C)cc4)N3C2=S)c1 20607396 NJXPKUGEQJIGBL-SJLPKXTDSA-N 370.499 3.751 0 40 FHAB COc1cc(C)c(NC(=O)/C=C/c2cc3ccccc3[nH]c2=O)cc1OC 32752855 NVBDNXWJAJZKRW-CMDGGOBGSA-N 364.401 3.506 0 40 FHAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccccc1OC 812058 DSFAXWYIGGXLCY-UHFFFAOYSA-N 366.373 3.801 0 40 FHAB O=C1C(=O)N(CN2CCC[C@@H]2c2nc3ccccc3s2)c2ccccc21 23873405 HNSHDXNXZWEFRR-MRXNPFEDSA-N 363.442 3.620 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1Cl 897243 AVFVDAKMXUISND-UHFFFAOYSA-N 373.869 3.570 0 40 FHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(C2CC2)nn1C(C)(C)C 47722348 GKDGUVMAPUNQJY-UHFFFAOYSA-N 369.465 3.559 0 40 FHAB Cc1cccc(OCCN(C)Cc2nnc(Cc3ccccc3C)o2)c1 79107955 GOQGJSKYROEURC-UHFFFAOYSA-N 351.450 3.788 0 40 FHAB O=C(Nc1ccccc1CN1CCc2ccccc21)NC1CCC(O)CC1 79542526 JYTCQTZIEINJSG-UHFFFAOYSA-N 365.477 3.674 0 40 FHAB COc1ccc(CN2CCCN(C(=O)c3cc(C)sc3C)CC2)cc1 25081821 DMYZJQBFHJWWIS-UHFFFAOYSA-N 358.507 3.722 0 40 FHAB COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)NC1CCCC1 6951650 LLYWICCEPBOLBE-LGMDPLHJSA-N 353.466 3.651 0 40 FHAB Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)n(-c2ccccn2)n1 107247425 AFFXMBKMKYAALP-JKSUJKDBSA-N 352.825 3.971 0 40 FHAB Cc1ccc(CN(C)C(=O)NCc2ccnc(N3CCCC3)c2)c(C)c1 26302674 CJJROBBACXHWKW-UHFFFAOYSA-N 352.482 3.640 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)n[nH]2)c(OC)c1 57412968 YMOITBCXGGDCRB-UHFFFAOYSA-N 357.797 4.000 0 40 FHAB C[C@@H]1CCc2sc(C(=O)OCC(=O)N[C@H](C)c3ccccc3)cc2C1 8389388 GIMMRHLMMVVQTM-ZIAGYGMSSA-N 357.475 3.907 0 40 FHAB Cc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(C=O)o2)cc1 8571324 HISPERIUSPWQOH-UHFFFAOYSA-N 363.369 3.863 0 40 FHAB O=C(Nc1ccccc1OC1CCCC1)c1cccc(N2CCNC2=O)c1 58201068 RXVMGVHYTHZZQI-UHFFFAOYSA-N 365.433 3.790 0 40 FHAB Cc1cccc(Oc2cc(-n3ncc(Cl)c(Cl)c3=O)nc(C)n2)c1 2182962 BFHVQCXUEBVRSD-UHFFFAOYSA-N 363.204 3.738 0 40 FHAB O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1 9053881 ACRZTAATLLCZLN-UHFFFAOYSA-N 352.768 3.767 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC1(c2ccccc2)CCC1 58367809 IPGOJBHHZCVZBU-UHFFFAOYSA-N 373.456 3.867 0 40 FHAB C[C@@H](NC(=O)NCc1nc2ccccc2s1)c1nc2ccccc2[nH]1 58407584 NJGHHBPWNPOCPL-LLVKDONJSA-N 351.435 3.733 0 40 FHAB C[C@@H](NC(=O)CCCNC(=O)c1ccc(Cl)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 102963727 HUZDMXGSUNCYNT-GZOSKZMVSA-N 362.901 3.791 0 40 FHAB CC[C@@H](Oc1ccccc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 2233563 XCSSFZSLPNPUST-LJQANCHMSA-N 358.869 3.846 0 40 FHAB CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc3oc(CC)nc3c2)n[nH]1 96007270 BOZQFXJMPYPINE-NSHDSACASA-N 362.455 3.818 0 40 FHAB O=C(CNc1ccc(NC(=O)C2CC2)cc1)Nc1ccc(F)c(Cl)c1 10941110 MNAPRWLHJLZOBV-UHFFFAOYSA-N 361.804 3.878 0 40 FHAB COc1ccc(NC(=O)[C@H](C)Nc2cc(Cl)c(OC)cc2OC)cc1 28797834 YNNYPPZGOQFAKM-NSHDSACASA-N 364.829 3.805 0 40 FHAB COc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)c(OC)c1OC 45574757 ZLGQFLCZXSPQQX-LBPRGKRZSA-N 355.390 3.950 0 40 FHAB Cc1ccc2nc(NC(=O)CCn3cc(Br)cn3)sc2c1 28235276 NRALYIHBCJGFEE-UHFFFAOYSA-N 365.256 3.593 0 40 FHAB CCOc1ccc2c(c1)s/c(=N\C(=O)Cc1ccc(C)c(C)c1)n2C 100987566 SXOKPLLSNDRXFA-MRCUWXFGSA-N 354.475 3.925 0 40 FHAB CCCCOc1ccc(-c2nonc2NC(=O)COc2ccccc2)cc1 11914179 ATQQVBGIVLIWSJ-UHFFFAOYSA-N 367.405 3.933 0 40 FHAB CCc1ccc(NC(=O)C[C@H](C(C)=O)C(=O)Nc2ccc(F)cc2)cc1 2655127 XLJKLLUOCGAESN-GOSISDBHSA-N 356.397 3.561 0 40 FHAB Cc1cccc(Cn2ccc(NS(=O)(=O)c3cc(C)ccc3C)n2)c1 2791642 MURUGHZZJUAECD-UHFFFAOYSA-N 355.463 3.657 0 40 FHAB COc1ccccc1/C=C/CN1C[C@@H]2CCC[C@@H](C1)C2(O)c1cccnc1 100148493 GPOIPVRAQNIIHX-VYYWRQCMSA-N 364.489 3.723 0 40 FHAB CCOc1ccc(N2C(=O)CC(c3nc4ccccc4s3)=C2N)cc1 3223759 QKYBSBNBXGJRCK-UHFFFAOYSA-N 351.431 3.759 0 40 FHAB O=C(NCc1ccccn1)c1ccccc1C(=O)c1ccc(Cl)cc1 12638427 VLNXEEBJBDFIPM-UHFFFAOYSA-N 350.805 3.896 0 40 FHAB CC(C)c1nc(CC(=O)NCc2ccc(N3CCCCCC3)nc2)cs1 48286631 XBGOOKYYVZKHQU-UHFFFAOYSA-N 372.538 3.901 0 40 FHAB CCc1[nH]c(C(=O)N2CCc3sccc3[C@H]2CC)c(C)c1C(=O)OC 48290973 CGERBHAAFJRBSD-CQSZACIVSA-N 360.479 3.883 0 40 FHAB O=C(NCCCOC1CCCCC1)c1cc(Br)ccc1O 12767910 QMXANBKAYYRGOV-UHFFFAOYSA-N 356.260 3.624 0 40 FHAB O=C(NC1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1)c1ccccc1 10557953 YYVQSARAIGGBST-UHFFFAOYSA-N 373.456 3.512 0 40 FHAB CC(C)OCc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCC2 28043758 OWSFEIQWTNRPRC-UHFFFAOYSA-N 359.491 3.579 0 40 FHAB Cc1ccc(N2C[C@H](C(=O)N(C)Cc3c(F)cccc3Cl)CC2=O)cc1 3339683 MPVQOQNYBQKHEV-CQSZACIVSA-N 374.843 3.799 0 40 FHAB O=C(COc1ccccc1C(F)(F)F)Nc1cccc2nsnc12 19100011 SKUCQZBKHIUNKL-UHFFFAOYSA-N 353.325 3.728 0 40 FHAB COc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2cccc(C)c2)cc1 12995710 MLKOXRPINNLZRK-UHFFFAOYSA-N 354.435 3.563 0 40 FHAB O=C(Nc1nccs1)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 13005673 GSFWLVGQHHQRBW-HNNXBMFYSA-N 365.458 3.787 0 40 FHAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccccc1Cc1ccccc1 13005103 VVWLAAJADMKYCH-LJQANCHMSA-N 359.425 3.847 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)c1ccc(-n2cncn2)c(C)c1 172933750 BTXSEUITRXCEJQ-UHFFFAOYSA-N 356.813 3.798 0 40 FHAB O=c1c2ccccc2nc(SCCc2ccccc2)n1C[C@H]1CCCO1 6066665 MPBDXZHASQTGPJ-QGZVFWFLSA-N 366.486 3.910 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)CCn1c(=O)sc2ccccc21 5014989 AULXSSSYAGVJMS-HNNXBMFYSA-N 354.475 3.591 0 40 FHAB C[C@@H](Sc1nc(-c2ccccc2)cn1N)C(=O)NCCC1=CCCCC1 4251901 SYIPOAARJVBIEE-OAHLLOKOSA-N 370.522 3.751 0 40 FHAB CCOC(=O)C1CCN(C(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)CC1 408706023 SXHORPSAHZCQRF-AWEZNQCLSA-N 367.873 3.526 0 40 FHAB CN(C)C(=O)c1ccc(NC(=O)CSCc2ccc(Cl)s2)cc1 14094879 IKIQPPMRPUDISB-UHFFFAOYSA-N 368.911 3.975 0 40 FHAB COc1ccc(OC)c(NC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 14205938 LONKHVXOEWHYJX-UHFFFAOYSA-N 353.378 3.678 0 40 FHAB CCN1CCN(c2ccc(NC(=O)CSc3ccc(C)cc3)cc2)CC1 9368631 FQQOCTLHIOBCIB-UHFFFAOYSA-N 369.534 3.868 0 40 FHAB COc1ccc(Nc2cnn(-c3nc4ccccc4[nH]3)c(=O)c2Cl)cc1 5452468 MDXWQYGFUYDBMM-UHFFFAOYSA-N 367.796 3.514 0 40 FHAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(Oc2ccccc2)cc1 6653560 HWAPRKMRAMKIFF-UHFFFAOYSA-N 371.396 3.828 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1 4703965 DWWVBGLKQMLBCA-RUDMXATFSA-N 372.852 3.837 0 40 FHAB CC[C@H]1CCCCN1C(=O)CSc1nnc(NCc2ccco2)s1 7161590 KJTGAVUJAYFWCV-LBPRGKRZSA-N 366.512 3.626 0 40 FHAB O=C(Cn1nc(-c2cccs2)oc1=O)Nc1cc(Cl)cc(Cl)c1 7250081 RNYZFKZYVNAZKC-UHFFFAOYSA-N 370.217 3.510 0 40 FHAB C[C@@H](NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1ccncc1 21902986 HFVLTHDLNOXDNP-MRXNPFEDSA-N 360.413 3.569 0 40 FHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc(SC)c2)cc1 7785181 GSGYSVXHTFDRER-DHZHZOJOSA-N 357.431 3.612 0 40 FHAB Cc1nc(-c2cccs2)c(CCC(=O)Nc2ccccc2C(N)=O)s1 19819512 FEHUHRSAALJZRW-UHFFFAOYSA-N 371.487 3.850 0 40 FHAB C[C@H](Sc1nnc(Nc2cccc(F)c2)s1)C(=O)NC(C)(C)C 7853113 PMFHDMGOOZKAJC-VIFPVBQESA-N 354.476 3.816 0 40 FHAB C[C@H]1C(=O)N(CC(=O)c2ccc(Cl)s2)C(=O)N1c1ccc(F)cc1 7983040 HUJFFAPZMPMZDD-VIFPVBQESA-N 366.801 3.581 0 40 FHAB COCc1nc(OC)c2c(C)c(C(=O)NC3CCCCCC3)sc2n1 7991065 SAUKXPWTHMFWAF-UHFFFAOYSA-N 363.483 3.607 0 40 FHAB C[S@](=O)Cc1cccc(C(=O)Nc2ccc(Nc3ccccc3)nc2)c1 69321485 GXZCUNJDOIIHSQ-AREMUKBSSA-N 365.458 3.956 0 40 FHAB O=C(NCCc1ccc2c(c1)OCCO2)C(c1ccccc1)c1ccccc1 8313916 SGXSAGABXBIHNJ-UHFFFAOYSA-N 373.452 3.949 0 40 FHAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccn(Cc2cccc3ccccc23)n1 18127298 DBJJINOPVJGJFX-RTBURBONSA-N 359.429 3.764 0 40 FHAB CC[C@H](NC(=O)Cc1c(C)noc1C)c1ccc(Br)cc1 8704429 SWCLKNVYCGWQNI-HNNXBMFYSA-N 351.244 3.864 0 40 FHAB C[C@@H](Sc1nnc(-c2ccccc2F)[nH]1)c1nc2ccccc2c(=O)[nH]1 9837435 PVTOMVOUSUNADB-SNVBAGLBSA-N 367.409 3.701 0 40 FHAB Cc1nn(CCCNC(=O)CCC2CCCC2)c(C)c1Br 27928104 WBJGEXFLMVPGOO-UHFFFAOYSA-N 356.308 3.739 0 40 FHAB CCOc1ncc(C(=O)N[C@H]2C[C@H](OCC)C23CCCC3)cc1Cl 72303468 VMBOHZZDWXVSEU-GJZGRUSLSA-N 352.862 3.601 0 40 FHAB COc1ccnc(COC(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)c1 95970882 PVFGNWKRXIDCAA-UHFFFAOYSA-N 372.421 3.575 0 40 FHAB CCc1cnc(CNC(=O)N(Cc2ccc(F)cc2F)C2CC2)s1 74842836 BVWYQTQJUKGILF-UHFFFAOYSA-N 351.422 3.858 0 40 FHAB CCc1ccc2nc(NC(=O)NC[C@@H]3CSCCS3)sc2c1 75109228 ZZDJFFUZJHMPBL-LLVKDONJSA-N 353.538 3.829 0 40 FHAB COc1ccc(S(=O)(=O)NCc2cccc(F)c2)c(Cl)c1Cl 113935696 QPRWFWMGQHZALG-UHFFFAOYSA-N 364.225 3.620 0 40 FHAB Cc1ccc(CNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)n1C 21328275 AGCANMQZMZFJRI-UHFFFAOYSA-N 361.445 3.765 0 40 FHAB COc1ccc(-c2nnc(SC(=O)c3ccc(OC)cc3OC)o2)cc1 408692286 JBJXQICOZNOKIR-UHFFFAOYSA-N 372.402 3.695 0 40 FHAB Cc1cc(C)cc(N([C@H](C)C(=O)Nc2c(C)cccc2C)S(C)(=O)=O)c1 409382244 QIJBMHYFOVLNID-QGZVFWFLSA-N 374.506 3.713 0 40 FHAB CC[C@@H](Oc1ccccc1C)C(=O)N1CCN(c2ccccc2OC)CC1 30758115 JOSCEQDVHLXJRU-LJQANCHMSA-N 368.477 3.510 0 40 FHAB O=C(NC(=S)Nc1nccs1)c1ccc(OCc2ccccc2)cc1 408628248 RLRSBIADNGJNSF-UHFFFAOYSA-N 369.471 3.849 0 40 FHAB Fc1cc2c(cc1Cl)[C@H](NCc1nc(COc3ccccc3)n[nH]1)CC2 527891253 LOYNXVDWGNFZLL-QGZVFWFLSA-N 372.831 3.953 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)N[C@H](C)COc1ccc(OC)cc1 219574274 FBGMIAGKHZYNQK-KDOFPFPSSA-N 361.413 3.575 0 40 FHAB CN(Cc1c(F)cccc1Cl)C(=O)COc1ncnc2sccc12 39502121 ITAGPPKSRUOBHE-UHFFFAOYSA-N 365.817 3.521 0 40 FHAB Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(Cn2ccnc2C)cc1 44852680 BQTXWQYYBQRDIU-KRWDZBQOSA-N 363.461 3.746 0 40 FHAB Cc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4ccc(=O)[nH]c4)C3)n2)c1 72349902 LQBKAMLDSBOMNS-LJQANCHMSA-N 373.456 3.765 0 40 FHAB COc1ccc(NC(=O)Cc2nnc(-c3sccc3C)o2)cc1Cl 49409415 CCBRPTGSTWFOAT-UHFFFAOYSA-N 363.826 3.950 0 40 FHAB COC(=O)c1ccc(C(=O)NCc2ccnc(-c3ccsc3)c2)cc1 225754936 UXDKTDZFWKTKAE-UHFFFAOYSA-N 352.415 3.527 0 40 FHAB Cc1c(Br)cnc(NC(=S)NCc2ccco2)c1Cl 223901109 SHAOYWOFLYVHML-UHFFFAOYSA-N 360.664 3.886 0 40 FHAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 223504618 WXLWIFNRYBFYFN-KRWDZBQOSA-N 370.518 3.641 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccccc1 224670062 QOXUOBRSEBQYEJ-IBGZPJMESA-N 366.505 3.871 0 40 FHAB COc1cc(OC)cc(C2=N/C(=C/c3csc(C(C)C)n3)C(=O)O2)c1 48326338 BOXKZAHNINBXGT-VIZOYTHASA-N 358.419 3.628 0 40 FHAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C)c2)cc1 223779323 GISVRUKATYDQTI-MOPGFXCFSA-N 364.474 3.606 0 40 FHAB C[C@@H](NC(=O)CCC(=O)Nc1nccs1)C12CC3CC(CC(C3)C1)C2 44871032 OIIRESRPUQTMHV-XUXNNNHQSA-N 361.511 3.583 0 40 FHAB Cc1ccc(C(=O)Oc2ccc(Cl)c(Cl)c2)cc1S(C)(=O)=O 40140210 JFPRXGPIFSRGGL-UHFFFAOYSA-N 359.230 3.925 0 40 FHAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1 223133925 LBJPWXRWNJKZDW-HXUWFJFHSA-N 366.505 3.951 0 40 FHAB COc1ccc(C(=O)C2CCN(Cc3cc(C(=O)O)sc3C)CC2)cc1 571768816 KJLXHXYXPYIZTM-UHFFFAOYSA-N 373.474 3.858 0 40 FHAB COCc1ccc(NC(=O)NC[C@H]2CCN(CCc3ccccc3)C2)cc1 192565357 AVLQJRUXBHYKLO-HXUWFJFHSA-N 367.493 3.519 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 224743682 BEVXLPSQSVJJBZ-IBGZPJMESA-N 366.505 3.871 0 40 FHAB O=C(NC[C@@H]1CCCC[C@@H]1c1ccccc1)N1CCO[C@@]2(CCCOC2)C1 333704782 SAXUVCRFSVTBSP-VWPQPMDRSA-N 372.509 3.551 0 40 FHAB Cc1cccc(N[C@H]2CO[C@@]3(CCCN(C(=O)c4ccsc4)C3)C2)c1 96222768 ZICQXSSDAPEFJP-QUCCMNQESA-N 356.491 3.932 0 40 FHAB O=C(c1ccccc1)N1CCO[C@@H](c2cccc(Cc3ccccc3)n2)C1 257324718 WPVLRWIMMQBPQZ-JOCHJYFZSA-N 358.441 3.886 0 40 FHAB Cc1nc([C@@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)o2)no1 257258467 KUARJSJDBPMFDC-INIZCTEOSA-N 353.378 3.673 0 40 FHAB CC(C)(NC(=O)[C@@H]1C[C@]12CCOc1ccccc12)c1cc(C(F)F)on1 585140665 BYWVPTTYVVBZIK-BUXKBTBVSA-N 362.376 3.704 0 40 FHAB CC1(C)CC[C@@H]2C[C@H](NC(=O)c3ccnc4c3CC(=O)N4)c3cccc1c32 613279533 QOCBIRYFICBQOA-PXAZEXFGSA-N 361.445 3.606 0 40 FHAB CC1(C)C[C@@]2(CCCN2C(=O)c2cncs2)CN1c1ccc(F)cc1 1615123375 UQWGSXHTVSFJOO-IBGZPJMESA-N 359.470 3.946 0 40 FHAB O=C(c1cccc(F)c1)N1CCCc2cc([C@@H](O)CN3CCCC3)ccc21 12291538 VIYUCNNHJFVVGO-NRFANRHFSA-N 368.452 3.548 0 40 FHAB Cc1nc2cc([C@@H]3CCCCN3Cc3ccc(F)cc3)nn2c(O)c1C 12337771 LRJUCWJOTQNHRN-SFHVURJKSA-N 354.429 3.918 0 40 FHAB N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCCC1)C(=O)NC1CCCCC1 16410664 OCTOFLSYYKFZBG-FOWTUZBSSA-N 368.437 3.551 0 40 FHAB COc1ccc(OC)c([C@H](O)CN2CCc3[nH]c4c(C)cccc4c3C2)c1 19236583 WOFMNKFZKWVRHG-HXUWFJFHSA-N 366.461 3.585 0 40 FHAB C[C@H](CN1CCCC1)NC(=O)c1cc(-c2ccccn2)nc2ccccc12 19718295 ZLVKRNPYTAIIGD-MRXNPFEDSA-N 360.461 3.511 0 40 FHAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1-c1ccc(C(=O)O)o1 226353275 PRJQEKKDLRMUII-UHFFFAOYSA-N 357.387 3.754 0 40 FHAB CC(C)CC[C@]1(C)NC(=O)N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O 4307771 SFBCEGXRRMQIJE-CQLMTFPYSA-N 360.498 3.519 0 40 FHAB COc1ccc(CC(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc23)cc1OC 6424276 FDDKYWSWDOCBKD-ZDUSSCGKSA-N 367.401 3.542 0 40 FHAB CC(C)(C)c1ccc(O)c(NC(=O)CNC(=O)c2ccccc2Cl)c1 9951327 CSAQURSJGYYVRI-UHFFFAOYSA-N 360.841 3.712 0 40 FHAB Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1cnc2ccccc2c1)C(C)C 12736329 SHVIECYFPPWNKS-HXUWFJFHSA-N 361.445 3.936 0 40 FHAB COc1ccc(-c2nn3c(-c4cccc(F)c4)nnc3s2)cc1OC 633117 LHEDHOWLZGVKAS-UHFFFAOYSA-N 356.382 3.676 0 40 FHAB Cc1ccc([C@H]2SC[C@H](C(=O)O)N2C(=O)c2cccc(Cl)c2)cc1 974399 KEHAOGCUVNGZOK-NVXWUHKLSA-N 361.850 3.989 0 40 FHAB Cc1ccc(Cn2cccc(C(=O)Nc3cc(F)ccc3F)c2=O)cc1 4940396 BGJOUTYEYHKRLF-UHFFFAOYSA-N 354.356 3.736 0 40 FHAB COc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)cc1 5373777 BEYIGJQFSJZNKQ-UHFFFAOYSA-N 350.418 3.637 0 40 FHAB Cc1cccc(NC(=O)Nc2nc(C(=O)NCc3ccco3)cs2)c1 9318543 WMUSXVKCVFVDIX-UHFFFAOYSA-N 356.407 3.619 0 40 FHAB Nc1cc2ccccc2nc1C1CCN(C(=O)Cc2ccccc2F)CC1 12087783 BWDARNQFLAKQTH-UHFFFAOYSA-N 363.436 3.905 0 40 FHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCc1ccc(C(=O)O)cc1 20730696 AQGSDKSSBCLJHI-UHFFFAOYSA-N 370.405 3.886 0 40 FHAB Cc1ccc(NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)cc1 32644273 VBRFRDAWJUQZGE-UHFFFAOYSA-N 371.487 3.875 0 40 FHAB CC(=O)c1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)s1 32768671 YUVCUDLODLWZKH-SFHVURJKSA-N 359.447 3.849 0 40 FHAB CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)sc2c1CCCC2 675880 AIAJCAFTIOMDIB-UHFFFAOYSA-N 373.474 3.993 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc2c(c1)CCC(=O)N2 53636656 QOSDHSLGICXIFG-UHFFFAOYSA-N 360.417 3.626 0 40 FHAB Cc1ccccc1N1C(=O)C[C@H](N2CCC(Cc3ccccc3)CC2)C1=O 986313 XXYIARFTVHCKHX-NRFANRHFSA-N 362.473 3.582 0 40 FHAB O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 672267 ALDBVXWPLKKEEU-UHFFFAOYSA-N 373.478 3.895 0 40 FHAB Cc1cccc(OCCNC(=O)Cc2nc(-c3ccccc3)oc2C)c1 24830084 CDRLCECBAQYGFI-UHFFFAOYSA-N 350.418 3.696 0 40 FHAB COCCn1cc(CC(=O)Nc2ccc(F)c(F)c2F)c2ccccc21 79484339 UUZBRUMLNWYSAB-UHFFFAOYSA-N 362.351 3.886 0 40 FHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)N(C)C1CCCCC1 1366941 LMHCZBDLPGOLIC-UHFFFAOYSA-N 372.538 3.772 0 40 FHAB COc1ccc(-c2nnc(SCc3ccc(C)c(C)c3)n2N)cc1OC 2447970 SLMZXVDTINGHBT-UHFFFAOYSA-N 370.478 3.585 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3O)no2)cc1OC 4880895 ZFHWLUWYCCLCOB-UHFFFAOYSA-N 374.780 3.970 0 40 FHAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cc(OC)c(OC)cc1C 6349548 BUNOXWSQUISSOG-KRWDZBQOSA-N 374.462 3.780 0 40 FHAB O=C(NCCCOCCc1ccccc1)N1CCC[C@H]1c1ccncc1 56990353 QCIOXVXHIZAZSR-FQEVSTJZSA-N 353.466 3.578 0 40 FHAB CCCn1nnnc1NCc1cccc(OCc2ccccc2Cl)c1 7263447 LCJUGENAJMPEAW-UHFFFAOYSA-N 357.845 3.928 0 40 FHAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ccc(F)c(F)c1F 7577595 SSNLMIXOURJNAT-ZCFIWIBFSA-N 374.413 3.649 0 40 FHAB CCOc1ccccc1NS(=O)(=O)c1ccc(OCC)c(OCC)c1 7927771 MZPRCLLBPQIUMW-UHFFFAOYSA-N 365.451 3.684 0 40 FHAB CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1cccc(C(F)(F)F)c1 8300469 HWKAXYWOANYZSR-HEHGZKQESA-N 355.404 3.947 0 40 FHAB biogenic,in-vitro CC[C@]12CCCN3CC[C@@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4CC1)[C@@H]32 8781279 ARQOGCYMPUOVHK-GBAJDQEWSA-N 354.494 3.726 0 40 FHAB COc1ccc(-c2oc3ccc(C)cc3c(=O)c2O[C@@H](C)C(=O)O)cc1 1951621 NABFIHQIJTXQLN-LBPRGKRZSA-N 354.358 3.629 0 40 FHAB Cc1cc(C(=O)N[C@H]2CCOc3ccccc32)c(C)n1CC(F)(F)F 27108265 BJZPFCNCDGAGIM-HNNXBMFYSA-N 352.356 3.921 0 40 FHAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NCC1CC1 27465954 CECLNFTVGDVJPD-UHFFFAOYSA-N 361.445 3.747 0 40 FHAB O=C(N[C@H](Cc1ncc[nH]1)c1ccccc1)c1cccc(OC(F)F)c1 12547535 COSGYWGHMALCKG-MRXNPFEDSA-N 357.360 3.725 0 40 FHAB CC(C)N1CCC[C@H](CNC(=O)c2ccc(COc3ccccc3)o2)C1 58159353 PPTDZNCJUSRYAG-QGZVFWFLSA-N 356.466 3.709 0 40 FHAB CCCN1C(=O)CCc2cc(NC(=O)c3cccc(OC)c3OC)ccc21 9107064 IAPRKHNWNMNBPS-UHFFFAOYSA-N 368.433 3.645 0 40 FHAB O=C(Nc1ccccc1)[C@H](NCc1nc(-c2ccco2)no1)c1ccccc1 58267886 IHMIXZZCGLRNOU-LJQANCHMSA-N 374.400 3.799 0 40 FHAB COc1cc(CN[C@@H](c2nnc3ccccn23)C(C)C)ccc1SC 95393030 VDQXTIUBTMKTGT-GOSISDBHSA-N 356.495 3.947 0 40 FHAB Cc1cc(NC(=O)COc2ccc3c(c2)CCC3)n(-c2ccccc2F)n1 58377513 QMGFHHLZNVGYGV-UHFFFAOYSA-N 365.408 3.826 0 40 FHAB CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1C(C)C 20802573 OPHZQQOHWKMYQS-QZTJIDSGSA-N 371.481 3.805 0 40 FHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccccc1C(F)(F)F 28430769 HAJLEPDNJJJPPR-UHFFFAOYSA-N 351.324 3.749 0 40 FHAB COc1cc(OC)cc(C(=O)NCCOc2ccc3ccccc3c2)c1 10995109 YKUQCIHODVWGMH-UHFFFAOYSA-N 351.402 3.666 0 40 FHAB Cn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1ccncc1 3294928 NYQBKSXVWCUGLX-UHFFFAOYSA-N 350.856 3.567 0 40 FHAB CC1CCN(C(=O)[C@@H](C)S(=O)(=O)Cc2ccc(C(C)(C)C)cc2)CC1 46107256 SAGJDPMMFGCCNS-MRXNPFEDSA-N 365.539 3.546 0 40 FHAB C[C@@H]1CCc2sc(C(=O)OCC(=O)N(C)Cc3ccccc3)cc2C1 2660163 OFIOEZJRCKOYDC-CQSZACIVSA-N 357.475 3.688 0 40 FHAB C[C@H]1Oc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2N(C)C1=O 12168249 AJGFUPIQXHPESO-CYBMUJFWSA-N 352.434 3.980 0 40 FHAB COc1cc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc(OC)c1OC 10542971 JTMBLPAXFMQILL-HNNXBMFYSA-N 371.433 3.745 0 40 FHAB CCNc1nnc(S[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)s1 12600798 URPCVJGMEBUJKX-QMMMGPOBSA-N 374.438 3.691 0 40 FHAB CC(C)n1ncc2cc(C(=O)N[C@@H]3CCCC[C@@H]3C(F)(F)F)cnc21 12799479 ICFGKGSVSMVARP-UONOGXRCSA-N 354.376 3.863 0 40 FHAB CCOc1ccccc1C(=O)OCC(=O)c1cccc(Br)c1 3343052 ZXALQXOGNRAJBN-UHFFFAOYSA-N 363.207 3.888 0 40 FHAB C[C@@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1cccc(Cl)c1 12815290 NVKJESOTTYQVPJ-CYBMUJFWSA-N 369.852 3.777 0 40 FHAB CSc1ccc(CN(C)Cc2nc3ccc(Cl)cc3c(=O)[nH]2)cc1 12849204 NOHTXMKKMPIMBF-UHFFFAOYSA-N 359.882 3.930 0 40 FHAB CC(C)Cc1ccc([C@@H](C)NC(=O)CNC(=O)NCc2ccccc2)cc1 12930050 YOFOPGVDEKYDCJ-QGZVFWFLSA-N 367.493 3.562 0 40 FHAB COC(=O)c1ccc(CN(C)C(=O)c2oc3ccc(F)cc3c2C)cc1 12948484 HTBAAHGPNYNDDW-UHFFFAOYSA-N 355.365 3.939 0 40 FHAB Cc1c[nH]c(=O)n1-c1ccc(C(=O)O[C@@H](C)c2c(F)cccc2F)cc1 63990530 SXTCNAJPLTWDMX-LBPRGKRZSA-N 358.344 3.670 0 40 FHAB COc1ccc(OC)c(NC(=O)COc2ccc(C(F)(F)F)cc2)c1 5038762 SRMXUICOWKYODU-UHFFFAOYSA-N 355.312 3.740 0 40 FHAB CCn1c(C)cc(/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)c1C 5007703 GLQOETLACJVARG-NTEUORMPSA-N 364.467 3.503 0 40 FHAB CCCCNCc1ccc(Oc2nnnn2-c2ccccc2)c(OCC)c1 13729592 ZVXMLWTWHNNLKP-UHFFFAOYSA-N 367.453 3.743 0 40 FHAB O=C(Nc1ccccc1F)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 9499994 LOSQRLNNXXTXOT-FRXJQHJJSA-N 370.468 3.972 0 40 FHAB COc1ccc(C(=O)CSc2nncn2C(C)C)cc1Br 14094292 ACIIATZQQMOTHV-UHFFFAOYSA-N 370.272 3.605 0 40 FHAB COCCn1c(-c2ccccc2)cnc1NCc1cc(OC)ccc1OC 4679216 DLBSVQCVZZUCFL-UHFFFAOYSA-N 367.449 3.826 0 40 FHAB COc1cccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c1OC(C)C 4702387 NXUHRAWEJROFTR-FOWTUZBSSA-N 352.390 3.580 0 40 FHAB Cc1ccc(-c2nnc(SCc3nc4ccccc4c(=O)[nH]3)o2)cc1 5862958 AWRXDBCZIXZDTI-UHFFFAOYSA-N 350.403 3.574 0 40 FHAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(N2CCCCCC2)nc1 71802056 YRYHPXGYBHARGO-UHFFFAOYSA-N 367.449 3.876 0 40 FHAB Clc1ccc(-n2nnnc2SCc2ccc(-n3cccn3)cc2)cc1 7254121 SNOFLNKKQYIGPS-UHFFFAOYSA-N 368.853 3.794 0 40 FHAB COc1c(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)ccc(Cl)c1Cl 19942892 WXDBBAQIURVLTJ-UWVGGRQHSA-N 352.283 3.669 0 40 FHAB O=C(CN1CCc2ccccc21)Nc1ccccc1C(=O)Nc1ccccc1 7600733 OPEBLPYVRQEEAN-UHFFFAOYSA-N 371.440 3.940 0 40 FHAB C[C@H]1CCc2sc(-c3nnc(SC[C@H]4CCOCO4)o3)cc2C1 8071341 NYBGYQQPRSAAPU-CMPLNLGQSA-N 352.481 3.778 0 40 FHAB CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 95998627 OGGKXWIXDQIEAU-MRXNPFEDSA-N 368.481 3.685 0 40 FHAB C[C@@H]1CN(C(=S)Nc2ccc(Br)cc2Cl)C[C@@H](C)O1 8222641 DECNLPJMMKBZSJ-RKDXNWHRSA-N 363.708 3.909 0 40 FHAB O=C(Cc1csc(-c2cccs2)n1)NC[C@H]1COc2ccccc2C1 8326614 JGYJWOWPCPYADD-ZDUSSCGKSA-N 370.499 3.782 0 40 FHAB CC1(C)Cc2cccc(OCC(=O)Nc3ccnn3C3CCCC3)c2O1 69612465 IOSCAZHGLSEOLR-UHFFFAOYSA-N 355.438 3.729 0 40 FHAB O=C1C[C@@H](N2CCC(c3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1 18222848 ILTALOXCGYZEJN-LJQANCHMSA-N 368.864 3.852 0 40 FHAB COC(=O)c1c(NC(=O)c2ccc3c(c2)nc(C)n3C)sc(C)c1C 89558805 IHUGCVQJWKZABP-UHFFFAOYSA-N 357.435 3.599 0 40 FHAB O=c1[nH]c2ccccc2cc1CN1CCc2cc(Br)ccc21 89873026 VDNNZRCNKXIWJH-UHFFFAOYSA-N 355.235 3.853 0 40 FHAB Cc1cc(NC(=O)c2cccnc2)n(-c2cccc(Br)c2)n1 75574544 CEWBEZHKESVDAG-UHFFFAOYSA-N 357.211 3.591 0 40 FHAB CCN(CC)[C@@H](CNC(=O)c1ccccc1Br)CC(C)C 75572436 LFNDBJMPNMWSKM-CQSZACIVSA-N 355.320 3.935 0 40 FHAB CCOc1ccccc1NC(=O)CN1C[C@H](C)Oc2ccc(Cl)cc21 76089696 JEKHRHIEINDXMC-ZDUSSCGKSA-N 360.841 3.965 0 40 FHAB COc1ccccc1CCC(=O)N1CCCC[C@@H]1c1nc(C(C)C)no1 67350513 MVFCTZFOTPPQEZ-MRXNPFEDSA-N 357.454 3.888 0 40 FHAB COc1ccccc1/C=C/C(=O)NCc1cccc(CN2CCCC2)c1 73555497 SIFYHWRCGMGNPV-VAWYXSNFSA-N 350.462 3.621 0 40 FHAB Cc1ccc(CNC(=O)NCCCNc2ccc(C(F)(F)F)cn2)cc1 32935981 REODBXYTDUPWHL-UHFFFAOYSA-N 366.387 3.710 0 40 FHAB CC(C)[C@@H]1N(C(=O)NCc2ccnc(OC(F)F)c2)CC12CCCC2 563064787 XBICGBBCSHBZFF-HNNXBMFYSA-N 353.413 3.793 0 40 FHAB Cc1nc(N(C)C)nc(C)c1NC(=O)C(c1ccccc1)c1ccccc1 224294224 WJHUOIPEHBEUMH-UHFFFAOYSA-N 360.461 3.930 0 40 FHAB Cc1cccc(CNC(=O)c2ccc(C)cc2I)c1 225026933 NFOLAXQEJRPMLV-UHFFFAOYSA-N 365.214 3.838 0 40 FHAB CCCC[Sn](CCCC)(CCCC)c1cnnn1C 196911159 DPCBHPVSSFQHLW-UHFFFAOYSA-N 372.145 3.871 0 40 FHAB Cc1cccc(NC(=O)c2cc(=O)c(OCc3ccccc3Cl)c[nH]2)n1 49551452 XGMRNTKSUSBURK-UHFFFAOYSA-N 369.808 3.563 0 40 FHAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)s1 223294401 IEWRXRPGSOPLCA-XKQJLSEDSA-N 359.520 3.603 0 40 FHAB COC(=O)c1cccc(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 224943068 ABIYKCCLMKOPJE-UHFFFAOYSA-N 374.245 3.605 0 40 FHAB Cc1cccc2[nH]cc(C(=O)COC(=O)Cc3cn(C)c4ccccc34)c12 64258613 HODSFXMPTFHEFZ-UHFFFAOYSA-N 360.413 3.937 0 40 FHAB CCOC(=O)C1(c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)CC1 222934071 NQDSAUHUQAMLBW-UHFFFAOYSA-N 369.417 3.551 0 40 FHAB COc1cc(OC)cc(C2=N/C(=C\c3csc(C(C)C)n3)C(=O)O2)c1 96133925 BOXKZAHNINBXGT-CHHVJCJISA-N 358.419 3.628 0 40 FHAB Cc1nc2n(c(=O)c1C)CN(C(C)C)CN2c1ccc(Cl)cc1Cl 96305504 OCPXRKFIJADKGU-UHFFFAOYSA-N 367.280 3.944 0 40 FHAB O=C(c1ccc2ccccc2c1)N1CC2(C[C@H](OCC3CC3)CCO2)C1 247956743 VUHPHOGRXOGLCX-HXUWFJFHSA-N 351.446 3.640 0 40 FHAB COc1ccc([C@@H](C)NCc2c(C)nc3sc(C)nn23)c(C)c1OC 585084663 JFMHSKMLUHRVKT-LLVKDONJSA-N 360.483 3.584 0 40 FHAB CNc1cc([C@@H]2CCCN2C(=O)C(C)(C)c2ccccc2F)nc(C)n1 257282286 OTDQAACKDXIQHG-KRWDZBQOSA-N 356.445 3.607 0 40 FHAB Cc1cc(Nc2cccc(CC3CCN(C(=O)NC(C)(C)C)CC3)n2)[nH]n1 257342112 ZNDDJJURAXWVEV-UHFFFAOYSA-N 370.501 3.619 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H]1CCc1cnc(Br)cn1 257206268 BCQUYVZFHGAWJS-GFCCVEGCSA-N 356.264 3.571 0 40 FHAB O=C(CC1CCOCC1)N1CCC(Cc2ccc3ncccc3c2)CC1 257289288 PXYBCLGLRYTJJT-UHFFFAOYSA-N 352.478 3.833 0 40 FHAB O=S(=O)(CCc1ccc(F)cc1)N(Cc1ccc(F)cc1F)C1CC1 656881786 YAYIUJRWJXENTK-UHFFFAOYSA-N 369.408 3.641 0 40 FHAB Cc1ccccc1-c1cnc(NC(=O)N2C[C@@H]3CCC[C@]3(CO)C2)s1 1310379545 PLWDCXMMXBGOKP-IFXJQAMLSA-N 357.479 3.745 0 40 FHAB COC(=O)c1ccc(C(=O)NCc2cccc(Oc3ccccn3)c2)cc1 96122525 NDGWTBPWXJPNAQ-UHFFFAOYSA-N 362.385 3.591 0 40 FHAB O=C(NCC1(c2cccc(F)c2)CCOCC1)c1ccc2ccccc2n1 55450740 LHDYGGVQUMJRLF-UHFFFAOYSA-N 364.420 3.852 0 40 FHAB COC(=O)c1cccc(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 13669702 GBPVBDXBMSBSRT-UHFFFAOYSA-N 374.245 3.722 0 40 FHAB O=C(c1ccc2c(c1)OCCCO2)N1CCC[C@@H]1c1nc2ccccc2[nH]1 16309059 NVNSEXVYTHCDMW-QGZVFWFLSA-N 363.417 3.702 0 40 FHAB CCOc1ccccc1Cc1ccc([C@H]2CN(CC3CC3)CCO2)nc1 19692855 KZNGYDFHSJSALS-JOCHJYFZSA-N 352.478 3.854 0 40 FHAB O=C(NC1CCN(Cc2cccc(F)c2)CC1)C1(c2ccccc2F)CC1 12201713 SAXKYVUEHJUYAN-UHFFFAOYSA-N 370.443 3.777 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1N 20520868 MNTPXBOTIXYADN-UHFFFAOYSA-N 355.619 3.946 0 40 FHAB CCCNC(=O)[C@@H]1CCCN1c1ncnc2sc(-c3ccccc3)cc12 3327206 GVUFKUOBFYQUDU-INIZCTEOSA-N 366.490 3.853 0 40 FHAB CSc1nc(C)cc(N2CCC(COc3ccncc3Cl)CC2)n1 1889116268 LLFOFEMAMZGDCE-UHFFFAOYSA-N 364.902 3.851 0 40 FHAB Cc1cc(CN(C)C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)no1 25138975 WTHVPXVRSBDNBM-UHFFFAOYSA-N 364.449 3.845 0 40 FHAB Cc1cc(I)ccc1NC(=O)c1ccccc1O 59474397 NITVWJGFLDJWEF-UHFFFAOYSA-N 353.159 3.558 0 40 FHAB O=C1CC[C@]2(CCCN(Cc3nccs3)CC2)N1Cc1ccc(F)cc1 1615101825 VIHBWSMDFAYGHE-FQEVSTJZSA-N 373.497 3.830 0 40 FHAB Cc1cc(C)cc(-n2nnc(-c3nc(-c4ccc(Cl)cc4)no3)c2N)c1 4313487 KTLBWNDERVYUAT-UHFFFAOYSA-N 366.812 3.837 0 40 FHAB CCCC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(C)cc1 5375179 RPBGBTWHIXSIMR-UHFFFAOYSA-N 372.490 3.875 0 40 FHAB Cc1cc(-c2nnc(SCC(=O)N3CCc4ccccc43)o2)c(C)o1 11835513 UYFLOYFPCQYZQS-UHFFFAOYSA-N 355.419 3.628 0 40 FHAB CCCn1cc(-c2cc(C(=O)N3CCCC3)c3cc(F)ccc3n2)cn1 20202187 ORBOGHQOIYVENZ-UHFFFAOYSA-N 352.413 3.883 0 40 FHAB C[C@@H]1Nc2ncnn2[C@H](c2cccs2)[C@H]1C(=O)Nc1ccc(Cl)cc1 244986128 JHIMLQOTZNDHAE-NZVBXONLSA-N 373.869 3.651 0 40 FHAB C[C@H](N[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc(Cl)cc1 30282960 SXUKIRXCUQIQLF-HNAYVOBHSA-N 358.869 3.591 0 40 FHAB O=C(NCc1ccnc(OCc2ccccc2)c1)[C@H]1COc2ccccc2C1 40106790 LSENQOYPRGANLC-HXUWFJFHSA-N 374.440 3.528 0 40 FHAB COC(=O)Nc1ccc(CNC(=O)Nc2cccc(OC(F)F)c2)cc1 40120498 YUTYVBWUTRAXEE-UHFFFAOYSA-N 365.336 3.788 0 40 FHAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc(=O)c2ccccc2o1 31264624 LAHPOZWWSMPOIE-INIZCTEOSA-N 365.385 3.603 0 40 FHAB COc1cccc(CNCC(O)(c2ccc(F)cc2)c2ccc(F)cc2)c1 20365920 IZIMCNFEFBQRKZ-UHFFFAOYSA-N 369.411 3.999 0 40 FHAB O=C(OCc1ccccc1)[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)NC1CCCCC1 100752536 SGANIXCACFGRIN-WDSOQIARSA-N 356.466 3.625 0 40 FHAB CCSc1nsc(NC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)n1 32593807 GWPGMACMTDCKST-UHFFFAOYSA-N 361.448 3.626 0 40 FHAB Cc1ccccc1C(=O)Oc1ccccc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O 102083243 LCIDQXBPPHBJIN-IAGOWNOFSA-N 363.413 3.894 0 40 FHAB C[C@H]1c2ccsc2CCN1CCS(=O)(=O)c1ccc(Cl)cc1 21584705 YVXKMMKVKGRXBL-LBPRGKRZSA-N 355.912 3.795 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(NC(=O)C3CC3)cc2)c1 32986448 KWILDZZUPMEUSY-UHFFFAOYSA-N 372.808 3.727 0 40 FHAB O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1CCc2[nH]c3ccccc3c2C1 22144697 WERGXNIEQRCOSZ-INIZCTEOSA-N 373.456 3.644 0 40 FHAB CN1CCC2(CC1)C[C@@H](NC(=O)Nc1ccccc1)c1ccccc1O2 23186873 UHNKEVXXKGQPHH-GOSISDBHSA-N 351.450 3.796 0 40 FHAB COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)c(OC)c1OC 854777 JACUAUBOYRAJLL-GXDHUFHOSA-N 373.792 3.710 0 40 FHAB Cc1ccc(S(=O)(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)cc1 1016820 PXEKRCRFXZNKCG-MRXNPFEDSA-N 356.403 3.721 0 40 FHAB COc1cc([C@H]2NC(=O)c3c(sc4c3CCCC4)N2)cc(OC)c1OC 1033203 WCTFIXSVZIDEOZ-KRWDZBQOSA-N 374.462 3.507 0 40 FHAB CSc1nnc2c3c4c(sc3nc(SC)n12)CO[C@H](C(C)C)C4 1252126 HBUGZRQKZWNRTD-VIFPVBQESA-N 366.537 3.880 0 40 FHAB CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2ccccc2F)NC(=S)N1 1294982 RUXYBATYLPRIHU-GOSISDBHSA-N 369.465 3.874 0 40 FHAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cccc(C)n1 1418810 GFWOOZNAXDNWEQ-UHFFFAOYSA-N 370.261 3.832 0 40 FHAB Cc1c(Cl)cccc1NC(=O)CCCN1C(=O)c2ccccc2C1=O 1466638 RUULUZLSBZGZGO-UHFFFAOYSA-N 356.809 3.663 0 40 FHAB CCCOC(=O)COc1ccc2c(=O)c(-c3ccccc3OC)coc2c1 1770204 JLWXDHAAPLENPW-UHFFFAOYSA-N 368.385 3.801 0 40 FHAB biogenic CCCCOc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 3247314 PIQVUPYXIQMAFW-INIZCTEOSA-N 355.434 3.900 0 40 FHAB Cc1ccc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)cc1F 3309629 KQHIIWBRFVQSGK-UHFFFAOYSA-N 355.287 3.948 0 40 FHAB C[C@@H](OC(=O)c1ccc(CO)cc1)C(=O)Nc1ccc(Cl)cc1Cl 3418635 BNGMOIQGFWOQBH-SNVBAGLBSA-N 368.216 3.670 0 40 FHAB CC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccc(Br)cc2)C1=O 3462121 QHIJYHXSQFOXCN-SFHVURJKSA-N 373.250 3.806 0 40 FHAB CCOc1ccccc1C(=O)N[C@H](C(=O)NCC1CCCCC1)C(C)C 3549831 YSNGAPWUGGRAHV-IBGZPJMESA-N 360.498 3.536 0 40 FHAB O=C1N/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1ccccc1F 3652614 QLJLKUNAWVFFND-DHDCSXOGSA-N 364.298 3.937 0 40 FHAB O=C1CC[C@H](C(=O)n2ccnc2)[C@@H](c2ccccc2)N1C1CCCCC1 4023738 QUORYNSIBVXYBT-AZUAARDMSA-N 351.450 3.836 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)Nc1cccc(-c2cn3cccnc3n2)c1 4033035 WALLFISGVSBAQH-HNNXBMFYSA-N 358.401 3.802 0 40 FHAB CCOc1ccc(C(=O)C[C@@H](NCc2ccc(Cl)cc2)C(=O)O)cc1 4118356 GVOKZGXPOGZLJY-QGZVFWFLSA-N 361.825 3.555 0 40 FHAB CCCN1C(=O)[C@@](O)(CC(=O)c2cccc(-n3cccc3)c2)c2ccccc21 4122644 ZIHRWFLDUDVAPZ-HSZRJFAPSA-N 374.440 3.695 0 40 FHAB CC(=O)c1ccc(Nc2nnc(Cc3ccc(Cl)cc3)c(O)n2)cc1 4225140 HLKLSSZONJXZSQ-UHFFFAOYSA-N 354.797 3.768 0 40 FHAB CN1C(=O)c2cccc(NC(=O)c3ccc(Oc4ccccc4)cc3)c2C1=O 4263808 SVRURXHTJMPACT-UHFFFAOYSA-N 372.380 3.957 0 40 FHAB CC(C)n1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccco1 4736135 JXYTUSFXEMFCCR-UHFFFAOYSA-N 368.462 3.800 0 40 FHAB Cc1cccc(N2CCN(C(=O)CCC(=O)c3ccccc3)CC2)c1C 5062643 PWBMNIVWEPWIJY-UHFFFAOYSA-N 350.462 3.615 0 40 FHAB CCC(=O)Nc1c(-c2ccc(OC)c(OC)c2)c(=O)c2ccccc2n1C 5204418 GRZXFCHCIRBGMQ-UHFFFAOYSA-N 366.417 3.571 0 40 FHAB O=C(COc1ccccc1)Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1 5259278 QWHYWHXHZVPKKT-UHFFFAOYSA-N 374.444 3.761 0 40 FHAB COc1ccc(-c2nc(O)c3c(n2)Oc2ccc(F)cc2C3)cc1OC 6748534 OFQRGHXHDQPEOU-UHFFFAOYSA-N 354.337 3.702 0 40 FHAB CCOc1c(Br)cc(CNCc2cccnc2)cc1OC 6870199 NTKGIVRBLFJWFC-UHFFFAOYSA-N 351.244 3.541 0 40 FHAB C[C@@H](CNC(=O)COCc1cc(-c2ccc(F)cc2)on1)c1ccccc1 6876461 LXEGFWFRNXDVET-HNNXBMFYSA-N 368.408 3.917 0 40 FHAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(NC(N)=S)cc2)cc1 6938393 KMVIBYNQWCVZBI-CYBMUJFWSA-N 357.479 3.873 0 40 FHAB Cc1ccc(CNC(=O)[C@@H](C)Sc2nc3cc(Cl)cnc3[nH]2)cc1 7175761 YIJPZYGWCKRGPN-LLVKDONJSA-N 360.870 3.717 0 40 FHAB Cc1cc(C)cc(NC(=O)c2c[nH]c3c(c(C)nn3-c3ccccc3)c2=O)c1 7424065 KYAFUYUJMCSTDC-UHFFFAOYSA-N 372.428 3.891 0 40 FHAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1 7708190 HZCKSCTXLRCFPD-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB O=C(COC(=O)c1ccccc1O)Nc1c(Cl)cccc1C(F)(F)F 7987888 RHLOONFNNPOGEH-UHFFFAOYSA-N 373.714 3.860 0 40 FHAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)NCc1ccc(F)cc1 8269788 HWBGGJVFZMXJLX-UHFFFAOYSA-N 372.484 3.555 0 40 FHAB CCS(=O)(=O)c1ccc2oc(/C=C/c3ccc(OC)c(O)c3)nc2c1 8321145 GHFCFBOURGNLCS-WEVVVXLNSA-N 359.403 3.506 0 40 FHAB O=C1C[C@H](c2ccc(Cl)cc2)c2c(nc(-c3ccccc3)[nH]c2=O)N1 8742514 HOCYCNOYICIHLO-CQSZACIVSA-N 351.793 3.564 0 40 FHAB CC(C)c1ccccc1NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 8772616 LLVWQARKPCPOPB-UHFFFAOYSA-N 358.463 3.503 0 40 FHAB CC(=O)N[C@@H](C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)C(C)C 8850905 CXBFHPFQIRIDQW-CQSZACIVSA-N 351.859 3.563 0 40 FHAB CN(CC(=O)N1c2ccccc2OC[C@H]1c1ccccc1)Cc1ccco1 8935756 BYPUGQDEGKVVFE-FQEVSTJZSA-N 362.429 3.878 0 40 FHAB Cn1c(=O)c2ccccc2n2c(SCc3cccc(Cl)c3)nnc12 9157496 YZSGDVKXBVNXMC-UHFFFAOYSA-N 356.838 3.527 0 40 FHAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2cccc(C(=O)NC3CC3)c2)o1 9457714 NTAJJLOROOCDDV-VYLDAASFSA-N 350.418 3.947 0 40 FHAB CCCOc1ccccc1NC(=O)c1cc2cccc(OC)c2oc1=O 9691027 WZAKZFSHSQIYBR-UHFFFAOYSA-N 353.374 3.843 0 40 FHAB O=C(CSc1ncnc2scc(-c3ccc(F)cc3)c12)NC1CC1 11495710 BECLZUAVCJVKMV-UHFFFAOYSA-N 359.451 3.868 0 40 FHAB CC(C)C[C@H](NC(=O)CSc1nnnn1C1CCCC1)c1ccccc1 11621688 PZBDISXZUXHALZ-KRWDZBQOSA-N 373.526 3.784 0 40 FHAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(N(C)C)cc1 11694356 YSSAWUVCZXAHNN-UHFFFAOYSA-N 368.412 3.728 0 40 FHAB Cn1c(=O)oc2cc(NCc3cccc(OCc4cccnc4)c3)ccc21 12238372 VIPSEYASFQLRSB-UHFFFAOYSA-N 361.401 3.718 0 40 FHAB CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@@H](C)CCC(C)C 12552042 FWMBVWCHHXKDLJ-YJBOKZPZSA-N 365.493 3.735 0 40 FHAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)(C)CC(C)(C)C)c1 12764796 VZATXYHQTZZOST-UHFFFAOYSA-N 374.934 3.535 0 40 FHAB CC(C)n1ncc2c(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc(-c3ccco3)nc21 12851087 PSMYRAOWEUXVDL-ZIAGYGMSSA-N 368.437 3.522 0 40 FHAB O=C(NC[C@@H]1COc2ccccc2O1)c1c2c(nc3ccccc13)CCCC2 12894627 WCASYBREGKPRJH-OAHLLOKOSA-N 374.440 3.683 0 40 FHAB Cc1cccc(-c2nnc(-c3ccc(C(=O)NC4=NCCS4)cc3)o2)c1 12909681 RAUKEGRXZDXXKR-UHFFFAOYSA-N 364.430 3.545 0 40 FHAB CCc1cc2c(N3CCC[C@@H]3C(=O)Nc3ccccc3)ncnc2s1 12919526 KJESNNNSGCTSND-MRXNPFEDSA-N 352.463 3.861 0 40 FHAB Cc1ccc2nc(NC(=O)[C@@H](C)NC(=O)/C=C/c3ccccc3)sc2c1 13005742 ZQJWJBNXKQTOMD-CFRMROPGSA-N 365.458 3.761 0 40 FHAB O=C(c1ccc(Cl)cc1F)N1CCC(C(=O)O)(c2ccccc2)CC1 13257523 PFNSNOUSJHFDFF-UHFFFAOYSA-N 361.800 3.738 0 40 FHAB CCCNC(=O)c1ccccc1NC(=O)COc1cc(C)cc(C)c1C 13684565 DBJOUQSXAWNQNG-UHFFFAOYSA-N 354.450 3.769 0 40 FHAB O=C1CCCN1c1ccc(C2=NN=C(Nc3ccccc3F)SC2)cc1 14135883 XKDRSUUBPZIBKQ-UHFFFAOYSA-N 368.437 3.872 0 40 FHAB CCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1ccc(Cl)cc1Cl 14137630 CKGVSBSFLZXYJL-CQSZACIVSA-N 357.237 3.869 0 40 FHAB CCCCS(=O)(=O)Nc1c(C)nn(Cc2ccc(Cl)cc2)c1C 14222633 IBHAMOXMQHADKS-UHFFFAOYSA-N 355.891 3.743 0 40 FHAB COc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)c(OC)c1OC 14739809 ZMMQHORNOPLRGF-UHFFFAOYSA-N 358.419 3.883 0 40 FHAB CC(C)N(C(=O)[C@@H](C)n1nnc(-c2cccc(C(F)(F)F)c2)n1)C(C)C 15364996 GFZUTAIHYFRDET-GFCCVEGCSA-N 369.391 3.565 0 40 FHAB Cc1ccc(NC(=O)CN(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 15414026 JPXPPMFCMYYUIL-UHFFFAOYSA-N 370.840 3.769 0 40 FHAB Cc1cc(=O)oc2cc(NC(=O)[C@@H]3COc4ccc(Cl)cc4C3)ccc12 15607257 GIXDFSVWAJXRDJ-ZDUSSCGKSA-N 369.804 3.945 0 40 FHAB CC(=O)Nc1cc2ccccc2nc1C1CCN(C(=O)c2ccncc2)CC1 19022255 CTDCDZZSHSSFIV-UHFFFAOYSA-N 374.444 3.608 0 40 FHAB Clc1cccc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)c1Cl 19292618 SMURKOJPGVZTQR-INIZCTEOSA-N 363.292 3.766 0 40 FHAB O=C(NC1CCN(C[C@@H](c2ccccc2)C2CCCC2)CC1)[C@@H]1CCCO1 19369199 LELXOLLQAHEFQB-VXKWHMMOSA-N 370.537 3.720 0 40 FHAB COCCn1cc(C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)c2ccccc21 19458664 LLZFLDNNHJJXRI-AWEZNQCLSA-N 370.424 3.926 0 40 FHAB Cc1ncsc1C(=O)N1CCc2nc(-c3cccc(F)c3)sc2C1 19719763 FOAKAAMWABSIQH-UHFFFAOYSA-N 359.451 3.913 0 40 FHAB Cc1nn(C)c2nc(C3CCN(C(=O)CC4CCCCC4)CC3)ccc12 19744727 IEBLPFAGULINNY-UHFFFAOYSA-N 354.498 3.953 0 40 FHAB Cc1ccc(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)cc1 19937594 WEPOSYYKNIRTQP-UHFFFAOYSA-N 353.809 3.580 0 40 FHAB COc1ccc(CCC(=O)NCCSCc2ccccc2C)cc1OC 20110476 KOWFSFYZQRJLBY-UHFFFAOYSA-N 373.518 3.994 0 40 FHAB C[C@H]1CN(C(C)(C)CNC(=O)Nc2cccc3ccccc23)C[C@@H](C)O1 22357887 MTXMEBPNJBWLBJ-IYBDPMFKSA-N 355.482 3.849 0 40 FHAB Cc1cc(C)c(OCC(=O)OCC(=O)N2CCCc3ccccc32)c(C)c1 23074533 IDQXBMVKPDZGPQ-UHFFFAOYSA-N 367.445 3.513 0 40 FHAB O=C(Nc1ccc(N2CCCCC2)nc1)c1cnn(Cc2ccccc2)c1 24148170 OJUQSMYCAYDOQN-UHFFFAOYSA-N 361.449 3.569 0 40 FHAB Cc1noc(C)c1CSc1ncccc1C(=O)NCc1cccs1 25713109 HXJLRTVNGDOZNA-UHFFFAOYSA-N 359.476 3.970 0 40 FHAB CCCCN(C)C(=O)Cn1c(Cc2ccc(OC)cc2)nc2ccccc21 27693289 HQJSANLAYSGCCW-UHFFFAOYSA-N 365.477 3.894 0 40 FHAB CC(C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 28888112 SKECDWODCQUMGT-ZIAGYGMSSA-N 367.449 3.969 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)C)cc2Cl)cc1 30754596 VYDRAJMTEZQEMH-UHFFFAOYSA-N 366.870 3.587 0 40 FHAB Cc1c(CC(=O)Nc2ccc3[nH]ccc3c2)c(=O)oc2c(C)c(O)ccc12 32124464 UOLLSZOHKXPZSZ-UHFFFAOYSA-N 362.385 3.778 0 40 FHAB biogenic CC(C)c1noc(-c2ccc(OCC(=O)NCC3CCCCC3)cc2)n1 32579095 XYQZOTKVMYECHU-UHFFFAOYSA-N 357.454 3.935 0 40 FHAB COc1ccc(/C=C/C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 32763385 BMHFQQDLFXSDCX-VEGGFIAOSA-N 356.491 3.723 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)N2C[C@H](C)O[C@H](C)C2)c1 32799584 TUBNICCBRGFMGQ-VWKPWSFCSA-N 366.461 3.678 0 40 FHAB O=C(/C=C/c1cccs1)OCc1cc(=O)n2c(n1)sc1ccccc12 32876699 GAUARLZRWFICLO-BQYQJAHWSA-N 368.439 3.727 0 40 FHAB Cc1ccc(Cl)cc1N1CCN(CC(=O)c2cc(C)n(C)c2C)CC1 34802313 CXHDGCULFUNYHI-UHFFFAOYSA-N 359.901 3.609 0 40 FHAB O=C(COc1ccccc1F)Nc1c2c(nn1-c1ccccc1)CCC2 35596686 VVSCRWYLCLJLIN-UHFFFAOYSA-N 351.381 3.518 0 40 FHAB OC1=Nc2nc(N3CCOCC3)sc2[C@@H](c2cc(Cl)ccc2F)C1 36357097 YXNHDFGHZNYXOY-LLVKDONJSA-N 367.833 3.896 0 40 FHAB O=C(N[C@@H]1C=CC=C(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 38528658 CAJPYTWWPGMENX-OAHLLOKOSA-N 361.397 3.865 0 40 FHAB CCOC(=O)CCCCCC(=O)c1ccccc1CN1CCSCC1 43211781 AQXQAWGUMRWGDB-UHFFFAOYSA-N 363.523 3.932 0 40 FHAB COC(=O)c1cc(NC(=O)c2oc(Br)cc2C)c(F)cc1F 44466380 DQNXCORSNMWJAU-UHFFFAOYSA-N 374.137 3.668 0 40 FHAB CCOC(=O)c1cc(NC(=O)COc2ccccc2OC)ccc1Cl 44883131 BFHAOFLYNHEVGA-UHFFFAOYSA-N 363.797 3.543 0 40 FHAB COc1ccc2oc(C)c(C(=O)NCc3ccc(-n4cccn4)cc3)c2c1 45045203 IADBDOUBMZNDIH-UHFFFAOYSA-N 361.401 3.866 0 40 FHAB O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 47668093 UKLZLLQQFFCSPN-GOSISDBHSA-N 371.440 3.736 0 40 FHAB COC(=O)Nc1cccc(NC(=O)N(C)Cc2ccc(OC)c(OC)c2)c1 47710993 GLKSKDDLPUBFBA-UHFFFAOYSA-N 373.409 3.546 0 40 FHAB Cc1ccc(NC(=O)N[C@@H](C)Cn2ccnc2)c(OCc2ccccc2)c1 48339916 KPQHQBFNBUVPRU-KRWDZBQOSA-N 364.449 3.981 0 40 FHAB CCCCSCC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 48363338 OKHZLENOGIEFDN-UHFFFAOYSA-N 370.518 3.658 0 40 FHAB O=C(Nc1cccc(Cl)c1Cl)C(=O)N[C@H]1CCOc2ccccc21 48763695 LIZDBNWBOLUEGA-LBPRGKRZSA-N 365.216 3.572 0 40 FHAB O=C1C[C@@H](c2cccnc2)c2c(c(C(=O)O)cn2-c2ccccc2Cl)N1 49550455 NHXVTFZLACLJBI-LBPRGKRZSA-N 367.792 3.698 0 40 FHAB Cc1nc2c3ccccc3nc(S[C@H](C)c3nc(C4CC4)no3)n2n1 53678232 FGNSWTFVDMYCGC-SECBINFHSA-N 352.423 3.700 0 40 FHAB Cc1c(Br)cc2c(c1C)OC[C@@H](N1CCC[C@H](C)C1)C2=O 55125460 JIVMRPJEBPXDAA-ZUZCIYMTSA-N 352.272 3.742 0 40 FHAB COc1ccc(-n2nc3ccc(NC(=O)C(F)(F)F)cc3n2)cc1Cl 57316778 KKEXOFBDKCYOSG-UHFFFAOYSA-N 370.718 3.583 0 40 FHAB O=C(O)[C@@H]1CC(=O)N(c2ccc3oc(-c4cccc(Cl)c4)nc3c2)C1 57327277 CIZCXRWOEYVAGF-LLVKDONJSA-N 356.765 3.586 0 40 FHAB O=C(Cc1cnn(-c2ccccc2)c1)N[C@@H]1CCCC[C@H]1C(F)(F)F 58151934 LABXVJYEVJNPPE-HZPDHXFCSA-N 351.372 3.652 0 40 FHAB Cc1ccc2c(CC(=O)Nc3cccc(-c4cnco4)c3)cc(=O)oc2c1 65521116 UINUOUYGGHWSHQ-UHFFFAOYSA-N 360.369 3.938 0 40 FHAB Cc1nccc(C(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)n1 67067864 BRUAPIHWEWXLSX-AWEZNQCLSA-N 350.447 3.766 0 40 FHAB O=C(Nc1nnc(-c2ccccn2)[nH]1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 68757953 VJIXLWOWJDEFNS-GHMZBOCLSA-N 374.231 3.916 0 40 FHAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCNC(=O)c1ccccc1 71844222 BIFNVIJKFSOBPY-RTWAWAEBSA-N 364.489 3.991 0 40 FHAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CNC(=O)/C=C/c1ccco1 71844268 NKHQGSYVIBJCNX-PVAZVXKLSA-N 366.461 3.594 0 40 FHAB COc1ccccc1CN1CCCC[C@H]1c1nnc(-c2ccccn2)o1 72344719 OSPNYESELTVMMK-KRWDZBQOSA-N 350.422 3.867 0 40 FHAB Cc1cc(C(=O)NCCc2nc(C3CC3)cc(C(F)(F)F)n2)c(C)o1 75170736 VHMCGKCYLUKIKU-UHFFFAOYSA-N 353.344 3.555 0 40 FHAB Cc1cc(C)n(CCC(=O)NCc2ccccc2CN2CCCC[C@@H]2C)n1 76239300 UMRVHBMWFWUOHD-SFHVURJKSA-N 368.525 3.581 0 40 FHAB C[C@@H](NC(=O)Nc1ccc2c(c1)CCCN2C)c1ccc2c(c1)CCO2 84651763 ILXKTMPMISLWPD-CQSZACIVSA-N 351.450 3.887 0 40 FHAB COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)c1cnc(-c2ccsc2)s1 89919295 MUYMIXYYFFQZMX-SJCJKPOMSA-N 364.492 3.723 0 40 FHAB O=C(Nc1cccc(CCN2CCCC2)c1)[C@@H]1OCCc2ccccc21 91787989 LHMAHEUOKMBQQQ-OAQYLSRUSA-N 350.462 3.577 0 40 FHAB Cc1ccc(C(C)(C)C(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)cc1 95958849 VQGODXJJXXWXJT-UHFFFAOYSA-N 364.445 3.873 0 40 FHAB COc1ccc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2ccc(C)cn2)cc1 100149282 CNENXFOFFMTBJF-OALUTQOASA-N 352.478 3.518 0 40 FHAB Cc1cccc(N2C(=O)C[C@H](Nc3ccccc3Br)C2=O)c1C 101275320 RZBXPDJSXYKRLS-HNNXBMFYSA-N 373.250 3.810 0 40 FHAB CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2ccc3ccccc3c2O)CC1 101669270 OFITZFGADHAWQW-HNNXBMFYSA-N 368.477 3.558 0 40 FHAB O=C(CN1C(=O)[C@H]2CCCC2=Nc2ccccc21)N[C@@H]1CCc2ccccc21 108892429 LGNMTTKXCKEPOS-PKOBYXMFSA-N 373.456 3.710 0 40 FHAB Cc1cc2ncc(NC(=O)C3c4ccccc4Oc4ccccc43)cn2n1 206738526 KXEZBLWRXJSZQS-UHFFFAOYSA-N 356.385 3.914 0 40 FHAB COC(=O)c1ccccc1C(=O)N1CCS[C@H](c2ccccc2)CC1 208040380 CMHWQHBFZHTOSM-SFHVURJKSA-N 355.459 3.794 0 40 FHAB CCOC(=O)C1CCN(C(=O)CSCc2ccc(Cl)cc2F)CC1 222643613 CDAFVTIRHYHVDQ-UHFFFAOYSA-N 373.877 3.514 0 40 FHAB CCOC(=O)C1(c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2)CC1 222932505 FRVPPTRETCYQHO-UHFFFAOYSA-N 369.417 3.551 0 40 FHAB O=S(=O)(Cc1ccc(Cl)cc1Cl)NCCc1ccc(F)cc1 224177706 LGRVXNTWSFJQBY-UHFFFAOYSA-N 362.253 3.795 0 40 FHAB CCC[C@H](C)NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2)c1 224295483 LQTGNFBSNDFZBX-INIZCTEOSA-N 374.506 3.739 0 40 FHAB CCOc1ccc(C(=O)N2CCCC2)cc1COc1ccc(OC)cc1 224601653 PXDXJNPJVVPATO-UHFFFAOYSA-N 355.434 3.909 0 40 FHAB COc1ccc(C(=O)N2CCS/C2=C/c2c(C)nn(C)c2C)cc1C 225245390 SJNSKPNTAGMZKR-WOJGMQOQSA-N 357.479 3.542 0 40 FHAB O=C(N[C@H]1CCCc2ccccc21)c1cc(OCc2ccccc2)ncn1 225534281 OXUVAWVACVUJQA-IBGZPJMESA-N 359.429 3.863 0 40 FHAB COC(=O)c1cccc(NC(=S)N[C@@H](C)COc2ccccc2)c1C 225782872 BAVQPOUDNIUTTL-ZDUSSCGKSA-N 358.463 3.536 0 40 FHAB Cc1cc(Sc2ncccn2)nc(NC(=S)NC2CCCCCC2)n1 226011034 JAIXFENSYLKNLY-UHFFFAOYSA-N 374.539 3.735 0 40 FHAB CCCCOc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(N)c2)c1 226267460 FFDBJXSFHPACAR-UHFFFAOYSA-N 369.465 3.537 0 40 FHAB COc1cc2ccccc2cc1C(=O)Nc1ccc2nc(NN)sc2c1 226313864 QGXJUSXFXJFHRB-UHFFFAOYSA-N 364.430 3.996 0 40 FHAB CCc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)O)cc1 226354612 HTHBMDRMWSUHAQ-UHFFFAOYSA-N 362.838 3.727 0 40 FHAB CC(=O)N1CCC[C@H](c2[nH]c3cccnc3c2CN2C[C@@H](C)C[C@H](C)C2)C1 247941992 NQPZJKOBDPBIBW-BQFCYCMXSA-N 368.525 3.767 0 40 FHAB Cc1nc(CC(=O)N2CCC(C)(c3ncc(Cl)s3)CC2)cs1 257206222 BCLSFOXOCGRPCS-UHFFFAOYSA-N 355.916 3.684 0 40 FHAB CCOc1ccc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCCC[C@H]3O2)cc1CN(C)C 257235896 GZZWEXXHSNLHOC-YVNJGZBMSA-N 374.525 3.672 0 40 FHAB Cc1cccc(CN2C[C@@H]3[C@@H](C2)n2cccc2C(=O)N3Cc2ccccc2)c1 306126956 FJZVLXOGDOPUTC-DHIUTWEWSA-N 371.484 3.878 0 40 FHAB CC(F)(F)[C@]1(O)CC(c2ccccc2)=NN1C(=O)c1cccc(Cl)c1 409000686 FMJAKWGCPPVSNN-GOSISDBHSA-N 364.779 3.934 0 40 FHAB CC(=O)N(C)c1ccc(C(=O)N2Cc3cc(C)ccc3CC2(C)C)cc1 513693275 CKBZNEAFYSWLJZ-UHFFFAOYSA-N 350.462 3.955 0 40 FHAB O=C(Nc1cc(NC(=O)C2(C(=O)O)CCC2)ccc1F)C1CCCCC1 569343398 BFFZZDMOYTWCLG-UHFFFAOYSA-N 362.401 3.538 0 40 FHAB O=C(NC[C@@H](c1ccco1)n1cccn1)c1csc(-c2ccccc2)n1 575613392 GVIFQSSFAYFEEN-INIZCTEOSA-N 364.430 3.619 0 40 FHAB O=C(CC1CCC(F)(F)CC1)Nc1ccc(F)c(N2CCOCC2)c1 585123821 AUJCGQGYKGMXQV-UHFFFAOYSA-N 356.388 3.816 0 40 FHAB Cc1cc(Cl)ccc1C1=CCN(C(=O)Cc2nc(C3CC3)nn2C)CC1 628935308 BAZIXMACKIVRTL-UHFFFAOYSA-N 370.884 3.513 0 40 FHAB CN(C)[C@@H](CNS(=O)(=O)c1cccs1)c1csc2ccccc12 669739126 HLKLHYUYJPEYNS-AWEZNQCLSA-N 366.533 3.544 0 40 FHAB CCCCC[C@](C)(O)/C=C/[C@@H]1[C](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)O 1560405349 JRGCBOGTKOYSRN-FBGHHDANSA-N 367.506 3.977 0 40 FHAB COc1ccc(Cl)cc1NCC(=O)N[C@H](C)c1ccc(F)cc1F 24214742 KKVYFVMVTJYRQI-SNVBAGLBSA-N 354.784 3.916 0 40 FHAB Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 806719 QDKUUHPOILTDRA-MRXNPFEDSA-N 352.434 3.774 0 40 FHAB Cc1cc2cc3c(cc2nc1SCC(=O)N1CCC[C@H](C)C1)OCCO3 928329 KSXSTIFHYVCDGQ-ZDUSSCGKSA-N 372.490 3.665 0 40 FHAB Cc1c(Br)c2ccccc2n1CC(=O)NC[C@H]1CCCS1 79093358 JMBWWZMJDZGJRD-GFCCVEGCSA-N 367.312 3.724 0 40 FHAB Cc1cc(F)ccc1NC(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C1CC1 79105246 OSGSBMKGFHNNDO-LJQANCHMSA-N 365.449 3.949 0 40 FHAB CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1cnc(C)cn1 12527974 YMSMLXWJTUMEFI-UHFFFAOYSA-N 352.360 3.902 0 40 FHAB COc1cc2cc3c(N)c(C(=O)NC(C)(C)C)sc3nc2cc1OC 4848862 DUZOEDAPVBHDED-UHFFFAOYSA-N 359.451 3.577 0 40 FHAB COC(=O)c1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(c2cc(C)cc(C)c2)C(=O)N1 4852874 LWBUJUNMUGSLDL-UWJYYQICSA-N 366.417 3.860 0 40 FHAB CCCCn1c(SCC(=O)N[C@H](C)CC)nnc1-c1ccoc1C 4860759 NTUVOANSQNEXGK-GFCCVEGCSA-N 350.488 3.653 0 40 FHAB CCOC(=O)C1CCN(C(=S)Nc2ccc(Cl)cc2Cl)CC1 6439086 AMPAFUPTADIYDL-UHFFFAOYSA-N 361.294 3.965 0 40 FHAB O=C(CSc1nnc(C2CCCCC2)o1)N1CCc2ccccc2C1 6885857 IIVLLHTVJPKKGQ-UHFFFAOYSA-N 357.479 3.794 0 40 FHAB Cc1cc(=O)n2c(n1)NC(Nc1ccc(C(C)C)cc1)=N[C@@H]2c1cccnc1 7499362 WRSYQLBVBSPJSW-IBGZPJMESA-N 374.448 3.511 0 40 FHAB CC[C@H](CO)NCc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 8337062 RPCOOEGDCSMHBJ-MRXNPFEDSA-N 367.848 3.927 0 40 FHAB CSc1nc2ccccc2c(=O)n1CC(=O)c1c(C)cc(C)cc1C 57486410 MEVHJINMNIGIKF-UHFFFAOYSA-N 352.459 3.927 0 40 FHAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)OCc1ccc(C)cc1 8941719 FXSKEFDYDLGAGW-SFHVURJKSA-N 357.475 3.590 0 40 FHAB O=C(NCc1cccc(Br)c1)c1cn[nH]c1-c1ccccc1 72328817 SMIYHPVJYGMVOO-UHFFFAOYSA-N 356.223 3.769 0 40 FHAB OC1(Cn2ccc3ccncc32)C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1F 100145999 BDFRTDLDWXJDAB-OALUTQOASA-N 365.452 3.734 0 40 FHAB Cc1cccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2C)n1 27644270 IZWAHEATDSWFGY-UHFFFAOYSA-N 361.449 3.936 0 40 FHAB CCOC(=O)Nc1cccc(C(=O)NCCCCOc2ccccc2)c1 9314920 UZYSDAAZZZWTCU-UHFFFAOYSA-N 356.422 3.844 0 40 FHAB CN(C(=O)COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccccc1 3282922 AEDRSYRVLSEYDF-UHFFFAOYSA-N 373.408 3.737 0 40 FHAB Cc1ccnc(NC(=O)CN(C)C(=O)c2cc(F)c(Cl)cc2Cl)c1 58218662 OVBOQNMZCKGXDE-UHFFFAOYSA-N 370.211 3.547 0 40 FHAB CC(=O)N[C@H](CC(=O)Nc1ccc2oc(C)nc2c1)c1ccc(C)cc1 10321315 IOGLKCLTDBPZLI-QGZVFWFLSA-N 351.406 3.651 0 40 FHAB CCOC(=O)CSc1nc(CC)nc2sc3c(c12)CC(C)(C)OC3 2199374 VAOYCYZRKNHYNM-UHFFFAOYSA-N 366.508 3.760 0 40 FHAB CC(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)c1 10899373 NIWFOEWEGDSXEH-UHFFFAOYSA-N 365.477 3.908 0 40 FHAB O=C(CCc1nc2c3ccccc3ncn2n1)Nc1ccc(Cl)cc1 36390454 NCFTXRIVFFUIJP-UHFFFAOYSA-N 351.797 3.502 0 40 FHAB O=C(C[C@@H]1C=CCC1)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 11451890 OPGMYEZNUUWCQF-GFCCVEGCSA-N 353.447 3.990 0 40 FHAB O=C(NCC(F)(F)F)c1cccc(NC(=O)c2ccc(Cl)s2)c1 11447879 BROYBWDNSWKUPP-UHFFFAOYSA-N 362.760 3.946 0 40 FHAB C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(S(C)(=O)=O)cc1 52754432 CQIYELITKZGWAX-JTQLQIEISA-N 372.273 3.888 0 40 FHAB Cc1nn(CN2CCC[C@H](c3nc4ccccc4o3)C2)c(=O)c2ccccc12 54466630 CXIZVGZTZCTYOM-INIZCTEOSA-N 374.444 3.683 0 40 FHAB CC(C)c1ccc(CCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 10370420 FSAXYJBAYIXJID-UHFFFAOYSA-N 374.506 3.777 0 40 FHAB C[C@H](Oc1cccc(F)c1)C(=O)NCCOc1cccc(C(F)(F)F)c1 23142521 LYRXICXYGYHAHY-LBPRGKRZSA-N 371.330 3.807 0 40 FHAB CCN(CC)c1ccc(NC(=O)c2c(Br)cnn2CC)cc1 28223823 FMIUAKFPULYOTF-UHFFFAOYSA-N 365.275 3.764 0 40 FHAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cnc2ccccc2c1 12727979 NRKHKNPCUKWUKQ-LBPRGKRZSA-N 353.809 3.645 0 40 FHAB COC(=O)c1cnc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)s1 12782107 HBIBVRPRHIJLLV-UHFFFAOYSA-N 350.827 3.644 0 40 FHAB COc1ccccc1[C@H](CNC(=S)NC1CCCCC1)N1CCCC1 3351573 FCPHBKZXAGAZGV-SFHVURJKSA-N 361.555 3.629 0 40 FHAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccc(OC(F)F)cc1 12825368 FNEOONRMPYPTGL-UHFFFAOYSA-N 360.404 3.814 0 40 FHAB Cc1ccc(-c2cc(C(=O)OCC(=O)N3CCCC3)c3ccccc3n2)o1 3455387 YGBFBGAXVKWYLI-UHFFFAOYSA-N 364.401 3.582 0 40 FHAB CNC(=O)NC(=O)[C@@H](Sc1cccc(C(F)(F)F)c1)c1ccccc1 3558563 KTRKPJOTIHYZOK-AWEZNQCLSA-N 368.380 3.994 0 40 FHAB Cc1cc(NC(=O)c2ccc(Br)o2)n(Cc2ccccc2)n1 12927880 RZNUYPZWFZOYCD-UHFFFAOYSA-N 360.211 3.848 0 40 FHAB CSc1ccc(NC(=O)C(=O)N[C@H]2CCSc3ccccc32)cc1 48767227 IQMBIAGTBFAKDC-HNNXBMFYSA-N 358.488 3.700 0 40 FHAB Clc1ccc(OCc2nn3c(COc4ccccc4)nnc3s2)cc1 13692172 RFSDTQKVUWRHFX-UHFFFAOYSA-N 372.837 3.997 0 40 FHAB COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cccc(C(C)C)c1 9378639 YDZWSJXRFGSVJY-UHFFFAOYSA-N 362.451 3.578 0 40 FHAB CCC(=O)Nc1ccc2c(c1)nc(CSc1nc(C)cc(C)n1)n2C 9421396 SIUOJNMUCUAVHT-UHFFFAOYSA-N 355.467 3.621 0 40 FHAB CN(C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C1CCCCC1 14186658 ZUWPHCIHERYPKJ-UHFFFAOYSA-N 373.522 3.587 0 40 FHAB O=C(OCC(=O)N1CCCc2ccccc21)c1cc2c(s1)CCCC2 4581334 BYAYONXTVHBCDB-UHFFFAOYSA-N 355.459 3.763 0 40 FHAB O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)NC[C@H]1CCCO1 14251502 ZVQGPHIPOLVCMT-LLVKDONJSA-N 371.289 3.955 0 40 FHAB CCCC(=O)N1CCc2c([nH]c3ccccc23)[C@]12C(=O)N(C)c1ccccc12 6624269 KBPZJBRTXRXSNB-HSZRJFAPSA-N 373.456 3.573 0 40 FHAB biogenic COc1ccc(C)cc1[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1F 15331850 HUKSZHJSRYBFEP-NSHDSACASA-N 357.834 3.836 0 40 FHAB CCNC(=S)N1CCN(Cc2sc3ccccc3c2Cl)CC1 15553998 RUKILQATJYUGKV-UHFFFAOYSA-N 353.944 3.567 0 40 FHAB CS(=O)(=O)N1CCc2cc(-c3csc(Nc4ccccc4)n3)ccc21 7278889 ADVDUJRXKZDDAR-UHFFFAOYSA-N 371.487 3.876 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc3ccccc3n2)c1C 7548869 LQHUTHQNDALCHO-AWEZNQCLSA-N 364.401 3.811 0 40 FHAB Cn1c(SCc2cc(-c3cccs3)on2)nnc1-c1ccncc1 7729567 ZQBVCANHYGELNU-UHFFFAOYSA-N 355.448 3.886 0 40 FHAB COc1ccc(CCC(=O)NCCSCc2ccccc2)cc1OC 25690468 SLQNOQYQXQNVHL-UHFFFAOYSA-N 359.491 3.686 0 40 FHAB Clc1cccc(-c2noc(CSc3nnnn3-c3ccccc3)n2)c1 7909764 KYAWDQZRLHMSPD-UHFFFAOYSA-N 370.825 3.658 0 40 FHAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccco3)[C@](O)(C(F)(F)F)[C@H]2C1 409103729 FHVWHXDBIXWBFF-OHUAYANFSA-N 358.360 3.805 0 40 FHAB Cc1onc(-c2ccccc2)c1C(=O)NC[C@@H](c1ccco1)N1CCCC1 8230201 WLKXPFYSYAXVCM-KRWDZBQOSA-N 365.433 3.810 0 40 FHAB CCCCOc1ccc(C(=O)OCC(=O)NCc2ccccc2C)cc1 8373315 IFJJPUIUZXNISN-UHFFFAOYSA-N 355.434 3.647 0 40 FHAB COc1ccc(Cc2nnc(Nc3ccc(C)c(C)c3)nc2O)cc1OC 8741323 VHNZKIWLWSCPSB-UHFFFAOYSA-N 366.421 3.546 0 40 FHAB Cc1c(C(=O)CN2CCN(C3CCCCC3)CC2)c2ccccc2n1C 19371965 YDQAIMKLJCCRDZ-UHFFFAOYSA-N 353.510 3.620 0 40 FHAB C[C@@H](c1cccc(F)c1)N1CCN(C(=O)[C@@H](C)OCc2ccccc2)CC1 89905209 NTJAZVFPBFBYCS-ZWKOTPCHSA-N 370.468 3.636 0 40 FHAB CCN(CCNC(=O)c1cccc(-c2nnc(C)o2)c1)c1ccccc1C 76060675 UOEZTMHECNZSOM-UHFFFAOYSA-N 364.449 3.610 0 40 FHAB CCc1ccc(Nc2nn[nH]c2C(=O)NCc2ccc(SC)cc2)cc1 67283510 FTKFULODCNEMAR-UHFFFAOYSA-N 367.478 3.763 0 40 FHAB CC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1)c1ccccc1 20485506 MYHARBKBXCSBSZ-OAHLLOKOSA-N 366.870 3.593 0 40 FHAB COCCn1ccc2c(C(=O)N3CCO[C@H](c4ccccc4)C3)cccc21 79475279 FRTAPBODZGQODA-NRFANRHFSA-N 364.445 3.501 0 40 FHAB COc1ccccc1NCN1C(=O)S/C(=C/c2cccc(F)c2)C1=O 32191438 JUGUKIYABPPZCP-MHWRWJLKSA-N 358.394 3.940 0 40 FHAB CC[C@H](C)[C@H](NC(=O)Cc1csc(-c2cccc(Cl)c2)n1)C(=O)O 30819502 ZTGTZCDGMLAQEQ-BONVTDFDSA-N 366.870 3.622 0 40 FHAB CCOCCCNC(=O)/C=C/c1cccc(OCc2csc(C)n2)c1 32906320 KQMSBRDXLPBMES-CMDGGOBGSA-N 360.479 3.587 0 40 FHAB CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(CC(C)C)C1 72395926 YRVPSDOXTZOMRF-QFIPXVFZSA-N 369.509 3.758 0 40 FHAB COc1ccccc1OC1CCN(Cc2nc(C)n3ccccc23)CC1 72154303 FDMZRFXAMWCYMG-UHFFFAOYSA-N 351.450 3.695 0 40 FHAB CC(=O)N1CCC[C@@H]1c1cc(CCOc2cccc(C(F)(F)F)c2)[nH]n1 72378307 YFUIJJZDIQRFOY-QGZVFWFLSA-N 367.371 3.733 0 40 FHAB COc1cccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1OC 222575550 WSQPAEVDIUXOLO-ZLIFDBKOSA-N 355.463 3.688 0 40 FHAB Cc1cccc(-c2noc(CNC(=O)CCc3ccc(Cl)cc3)n2)c1 225311764 VODSTWABFWIEDE-UHFFFAOYSA-N 355.825 3.947 0 40 FHAB Cn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1F 224439238 ZLVZBGCXYSOEEL-QZTJIDSGSA-N 352.438 3.736 0 40 FHAB CCOc1ccccc1NC(=O)NCC1CCN(c2cccnc2)CC1 225657518 ZXBWSSOYYALYOV-UHFFFAOYSA-N 354.454 3.518 0 40 FHAB COc1ccc(-c2cc(C(=O)NCCCc3ccc(F)cc3)no2)cc1 223279530 RHTXHKUHVARJMV-UHFFFAOYSA-N 354.381 3.852 0 40 FHAB C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1ccc(-n2cnnc2)cc1 576098897 LITYKDYECGCNTH-NRFANRHFSA-N 364.424 3.644 0 40 FHAB COc1cccc(CN2Cc3cccn3[C@H](COCc3ccccn3)C2)c1 247922756 YGEZRDGYKJVVPS-NRFANRHFSA-N 363.461 3.665 0 40 FHAB COC(=O)N(C)CC(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2 64902301 UXORGVLNZCOKBR-UHFFFAOYSA-N 371.481 3.704 0 40 FHAB CCCn1cnc2sc(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c(C)c2c1=O 253589068 LAYCCNJSQYUECJ-QPSCCSFWSA-N 373.522 3.731 0 40 FHAB CC(C)Sc1ccc(CC(=O)NC[C@]2(O)CCc3ccccc3C2)cc1 90611484 WERFMFUTEYQVFE-QFIPXVFZSA-N 369.530 3.766 0 40 FHAB Cc1ccc(CC2CN(C(=O)N[C@H](c3ccccc3)[C@H]3CCOC3)C2)cc1 664574282 AXWLODUGCQQNOO-FCHUYYIVSA-N 364.489 3.957 0 40 FHAB Cc1c[nH]nc1C[C@@H]1CCCN(C(=O)c2c(C)n(C)c3ccccc23)C1 585182112 FEXSVIAEXCZEMN-INIZCTEOSA-N 350.466 3.613 0 40 FHAB CS(=O)(=O)/N=C(\O)c1sc2cc(C(F)(F)F)ccc2c1Cl 69539633 SUOCVTGHPBAVOH-UHFFFAOYSA-N 357.762 3.838 0 40 FHAB O=C1OC2(c3cc(F)c(O)cc3Oc3cc(O)c(F)cc32)c2ccccc21 38464325 FJXJIUHGLVUXQP-UHFFFAOYSA-N 368.291 3.944 0 40 FHAB in-vitro COCc1ccccc1C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 56212105 FSRNGCZWPJLMGO-UHFFFAOYSA-N 373.880 3.965 0 40 FHAB NC(=O)[C@@H](OC(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1 12823044 CBTKARSDTWCTNK-NRFANRHFSA-N 359.381 3.898 0 40 FHAB O=C(Nc1ccccc1O)c1cnn(-c2ccccc2F)c1C(F)(F)F 12981434 NURYBXBXRMXUND-UHFFFAOYSA-N 365.286 3.988 0 40 FHAB COc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2nc(N)nn21 13127569 XRXXLNJDHFEFHF-CABCVRRESA-N 355.829 3.669 0 40 FHAB O=C(O[C@H](C(=O)NCc1ccccc1)c1ccccc1F)c1ccco1 15936154 RCKDKFKUKHCOMS-SFHVURJKSA-N 353.349 3.633 0 40 FHAB COc1ccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(C)=O)cc1 19019508 BJCVDNXXEDTFED-ACRUOGEOSA-N 370.518 3.593 0 40 FHAB CCc1nnsc1C(=O)Nc1nc(-c2ccc3c(c2)CCCO3)cs1 19521916 VJTJSHKDBBUVOF-UHFFFAOYSA-N 372.475 3.801 0 40 FHAB O=C(c1ccccc1)N1CC[C@H](c2cc(COc3cccc(F)c3)[nH]n2)C1 19738940 WJFRCRHMYYAOKI-INIZCTEOSA-N 365.408 3.758 0 40 FHAB COc1ccc(S[C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 19932590 NBXHAUMWVXSKRC-HNNXBMFYSA-N 374.481 3.664 0 40 FHAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)C(C)C)CC2)on1 100743585 XDXPYGPRHAKOAP-IYBDPMFKSA-N 356.470 3.794 0 40 FHAB C[C@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C[C@H](C)O1 3175208 XZSUSZAEGIFZTF-GJZGRUSLSA-N 367.474 3.850 0 40 FHAB Cc1cc(C)c2nc(NC(=O)CSc3nncn3C(C)C)sc2c1 5429947 WNNLFEJWPGQJAM-UHFFFAOYSA-N 361.496 3.816 0 40 FHAB N=C1NC(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)S1 5517610 LKDSSFDMFWCZIR-YBEGLDIGSA-N 364.405 3.817 0 40 FHAB c1ccc(-[n+]2cc(-c3ccc4c(c3)OCCO4)n3c2SCCC3)cc1 2921924 YIOGRSGJOKFJSL-UHFFFAOYSA-N 351.451 3.699 0 40 FHAB COc1cc(OC)cc(C(=O)N2CCN=C2SCc2cccc(F)c2)c1 4119866 AETZXJLLTPNHDF-UHFFFAOYSA-N 374.437 3.588 0 40 FHAB CC(C)(C)C(=O)N1CCc2ccc(NC(=O)COc3ccccc3F)cc21 13695355 ORNZKVVOGNDNLG-UHFFFAOYSA-N 370.424 3.778 0 40 FHAB Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccccc2)c2ccco2)cc1 17043392 UNNRYCVSDFOYSO-IBGZPJMESA-N 369.442 3.533 0 40 FHAB COc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2CCC(C)CC2)cc1 23157256 MQEUCYRADWUTLD-INIZCTEOSA-N 372.494 3.635 0 40 FHAB COC(=O)c1ccc(CN2CCC(Cn3cnc4ccccc43)CC2)cc1 36708859 UNPUTRGWXHZLRT-UHFFFAOYSA-N 363.461 3.735 0 40 FHAB Cn1nccc1-c1cncc(CNC(=O)c2ccc(Cl)c(Cl)c2)c1 575617150 SSELHBRKXTUSLE-UHFFFAOYSA-N 361.232 3.719 0 40 FHAB COc1ccc(S(=O)(=O)NCc2ccc(-c3cccs3)o2)c(C)c1 575609164 QDNXATXKNMKGHS-UHFFFAOYSA-N 363.460 3.804 0 40 FHAB Cc1nc(-c2ccccc2)sc1C(=O)NCC1CCC(C(=O)O)CC1 20729698 HCYICYRHJOEIIV-UHFFFAOYSA-N 358.463 3.739 0 40 FHAB CC(=O)N(c1nnc(SCCOc2cccc(Cl)c2)s1)C1CC1 25362103 UXBIXJHLGTUCLS-UHFFFAOYSA-N 369.899 3.878 0 40 FHAB Cc1ccc(-c2nn(-c3ccccc3)cc2CNC[C@@H]2CCCOC2)o1 40154952 DTYGFUOQIXOKQV-KRWDZBQOSA-N 351.450 3.957 0 40 FHAB CCc1ccc(-n2ncc3c2N=C(O)C[C@@]32C(=O)N(C)c3ccccc32)cc1 20714842 SLTSYHCOLGFSAR-QFIPXVFZSA-N 372.428 3.689 0 40 FHAB Cc1cccc(-n2ncc3c2N=C(O)C[C@@]32C(=O)Nc3ccccc32)c1C 20745328 QKABRLNILOLLOK-NRFANRHFSA-N 358.401 3.719 0 40 FHAB CC(=O)Nc1ccc(OC(=O)c2ccc(COCC(F)(F)F)cc2)cc1 32869096 WGXWDWQEVGPFNK-UHFFFAOYSA-N 367.323 3.943 0 40 FHAB Cc1nc2cc(F)ccc2cc1C(=O)O[C@H](C)C(=O)N1CCCCCC1 22069313 SDKOQVOPINXJJG-CQSZACIVSA-N 358.413 3.630 0 40 FHAB CC[C@@H](C)NC(=O)COC(=O)C1(c2cccc(Cl)c2)CCCCC1 22978229 BNBXLRKCQZGSLI-CQSZACIVSA-N 351.874 4.000 0 40 FHAB CCOC(=O)c1sc2c(OC)c(Br)ccc2c1NC(C)=O 1052230 OQVUSPUDSBRHOI-UHFFFAOYSA-N 372.240 3.808 0 40 FHAB O=C(CCC(=O)N1CCC[C@@H]1c1cccs1)N1CCc2sccc2C1 55008357 DDZMUZITBVCXAS-OAHLLOKOSA-N 374.531 3.838 0 40 FHAB COc1cccc(CN(C)C(=O)Nc2cccc3cnccc23)c1OC 43161380 JDWXFPRVTLAFQL-UHFFFAOYSA-N 351.406 3.916 0 40 FHAB CCOCCOCc1cccc(-n2c(=S)[nH]c3ccccc3c2=O)c1 55179642 DFGDJMLFFNZELM-UHFFFAOYSA-N 356.447 3.601 0 40 FHAB CCSc1nc2ccc(Nn3nnnc3-c3ccccc3)cc2s1 1573688 BXJFIFZQFZYJCM-UHFFFAOYSA-N 354.464 3.937 0 40 FHAB O=C(CN1CCC[C@@H]1c1ccc(F)cc1)NCCc1c[nH]c2ccccc12 25444767 CZHPTKKMMAHUFH-OAQYLSRUSA-N 365.452 3.803 0 40 FHAB O[C@@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Cn1ccnc1 25693048 DJVNDAABPHREFM-MYZSEDEFSA-N 352.478 3.791 0 40 FHAB COCCOc1ccc(NC(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1Cl 107363780 POAJFWCWEAOJBF-DPDCMNJDSA-N 350.846 3.531 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1 12576821 DEUAOYKCBQEOOZ-DNVCBOLYSA-N 367.424 3.541 0 40 FHAB CCc1cc2ccc(OC)cc2nc1SCC(=O)Nc1nccs1 4849401 CSSCFTQRINPOSK-UHFFFAOYSA-N 359.476 3.993 0 40 FHAB Cc1ccc(NC(=O)/C(=C/c2ccncc2)NC(=O)c2ccccc2)cc1 4854900 LJEXKTNYFHRVFA-HKWRFOASSA-N 357.413 3.800 0 40 FHAB CN(CCCNC(=O)c1cccc(Cl)c1)C(=O)c1cccc(Cl)c1 6178175 KPEVDTHTYGRONO-UHFFFAOYSA-N 365.260 3.886 0 40 FHAB CCCn1c(SCC(=O)Nc2nncs2)nc2cc(Cl)ccc21 12544291 QTVCUWCPTUNKEQ-UHFFFAOYSA-N 367.887 3.682 0 40 FHAB COc1ccc(NC(=O)/C=C/c2c(C)nc3sc(C)cn23)cc1OC 10741116 IGEZPVWZAUFSMR-SOFGYWHQSA-N 357.435 3.682 0 40 FHAB O=C(Nc1ccnc(C2CCCC2)n1)c1ccc(CN2CCCC2=O)cc1 96006624 JKLWKDPMSUFWJI-UHFFFAOYSA-N 364.449 3.509 0 40 FHAB CCCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(CCOC)C3 57142952 LLDSPCLZOBNDSB-UHFFFAOYSA-N 351.830 3.587 0 40 FHAB COc1ccccc1CC(=O)N(C)Cc1cc(Br)cs1 48069653 UIEARSYZOVWMNO-UHFFFAOYSA-N 354.269 3.720 0 40 FHAB COc1ccc([C@H](NC(=O)Cc2ccc(Cl)cc2)c2nccn2C)cc1 8216486 OGHLHWPIXOGIOV-IBGZPJMESA-N 369.852 3.530 0 40 FHAB CCN1CCN(c2ccc(N[C@@H](C)C(=O)Nc3ccc(C)cc3)cc2)CC1 8393191 POGRZWKPISURTC-SFHVURJKSA-N 366.509 3.576 0 40 FHAB Cc1cccc(NC(=O)c2ccc(NC(=O)CCCC(=O)O)cc2)c1C 8434582 JMTUIENNORJIRQ-UHFFFAOYSA-N 354.406 3.749 0 40 FHAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8744918 GQJBZEINZCPPHC-LJQANCHMSA-N 360.413 3.983 0 40 FHAB O=C(OCC(=O)N1CCCC1)c1ccccc1OCc1ccccc1Cl 3228391 ATFCWCCRQSBMRM-UHFFFAOYSA-N 373.836 3.698 0 40 FHAB COc1ccc(CC(=O)NC[C@@H](c2cccs2)N2CCCCC2)cc1 27747908 JGGGGOPNCBGYGC-SFHVURJKSA-N 358.507 3.643 0 40 FHAB CCN(CC)c1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1 3283633 MVRVKAGOINNEDY-UHFFFAOYSA-N 358.482 3.696 0 40 FHAB COc1cc(CNC(=O)c2ccccc2C(F)(F)F)cc(OC)c1OC 9887791 PFUPTGIJCXHXFF-UHFFFAOYSA-N 369.339 3.661 0 40 FHAB Cc1cnc(NC(=O)[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)s1 100999074 WOQDUNHIPIMVLF-BETUJISGSA-N 353.488 3.721 0 40 FHAB CC(C)(C)NC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 57486750 AIRHXDBLNGJUJR-UHFFFAOYSA-N 358.829 3.773 0 40 FHAB C[C@@H](Sc1nnnn1Cc1ccco1)C(=O)C12CC3CC(CC(C3)C1)C2 11309580 PNCIVWVUIJRXNA-XUXNNNHQSA-N 372.494 3.581 0 40 FHAB COc1cc(NC(=O)Cc2ccccc2Cl)ccc1N1CCCC1=O 11446187 NUEJPRACDKLPJB-UHFFFAOYSA-N 358.825 3.657 0 40 FHAB Cc1ccc(Cn2cccc/c2=N\C(=O)c2cc3ccccc3oc2=O)cc1 29386217 NOKZSNYIRROMDE-DARPEHSRSA-N 370.408 3.692 0 40 FHAB O=c1[nH]c(SCCCCOc2ccc(Cl)cc2)nc2c1CCC2 11905491 JHEWNARRFVFJRO-UHFFFAOYSA-N 350.871 3.863 0 40 FHAB Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1ccccn1 55593318 IHFPHKUZCJPKCD-HUUCEWRRSA-N 351.450 3.760 0 40 FHAB O=C(NCc1cnn(Cc2ccccc2)c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 53339393 UZQAZEZUSFCKJY-IAGOWNOFSA-N 365.399 3.916 0 40 FHAB CCOc1ncccc1NC(=O)NCc1cccnc1OC1CCCC1 48277526 QCGYSZWEOUKSKO-UHFFFAOYSA-N 356.426 3.518 0 40 FHAB Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1ccccn1 55593317 IHFPHKUZCJPKCD-GJZGRUSLSA-N 351.450 3.760 0 40 FHAB CC(=O)Nc1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccc(Cl)cc1)N2 100879279 USEWBMOGFZWRCO-KRWDZBQOSA-N 365.824 3.946 0 40 FHAB COc1ccc(CCNC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1OC 12796747 RQHXPXQXVCTOEL-ZDUSSCGKSA-N 362.857 3.960 0 40 FHAB CN1CC(Oc2ccc(Cl)cc2)=NC(SCC(=O)c2ccccc2)=N1 57401689 QPNNSBQJAUWVCT-UHFFFAOYSA-N 373.865 3.950 0 40 FHAB CC(C)CNC(=O)NC(=O)CSc1nc(-c2ccc(F)cc2)cs1 3383626 PEVNRDVOOMYKTP-UHFFFAOYSA-N 367.471 3.523 0 40 FHAB CCN(C(=O)COC(=O)CCc1nc2ccccc2s1)c1ccccc1 3330700 VAXIZIUNATXHLM-UHFFFAOYSA-N 368.458 3.825 0 40 FHAB COC(=O)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@H](C4)[C@@H]32)cc1 100971730 XYEPZFXWJXPTAL-QMIVOQANSA-N 373.499 3.875 0 40 FHAB O=C1NC(=O)/C(=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)S1 106695306 ZEZNLZZNMAHPJU-ZROIWOOFSA-N 359.790 3.883 0 40 FHAB Cc1ccc(F)c(CN2CCC3(CC2)C[C@@H](Nc2ncccn2)CCO3)c1 108531916 SHOOHWXJWPSYAL-SFHVURJKSA-N 370.472 3.550 0 40 FHAB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NCC1CCCCC1 3434137 RGRAPQYVKQUQNA-UHFFFAOYSA-N 366.461 3.905 0 40 FHAB CCN1CC(Oc2ccccc2)=NC(SCC(=O)c2ccccc2)=N1 57401676 CGQPDZNRJIHDLX-UHFFFAOYSA-N 353.447 3.687 0 40 FHAB COc1cc(OC)cc(OCC(=O)N[C@@H](C)c2cc3ccccc3o2)c1 12906151 DHUKUQOSLKGCMQ-ZDUSSCGKSA-N 355.390 3.706 0 40 FHAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)N(C)c2ccccc2)c1 12916183 ZFBUEIDHKNNTHM-IBGZPJMESA-N 354.450 3.504 0 40 FHAB Cc1c(-c2ccccc2)sc(NC(=O)C2CC2)c1C(=O)N1CCOCC1 13013046 NFMIBKOQTZGCRK-UHFFFAOYSA-N 370.474 3.544 0 40 FHAB CCCCC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)s1 9224810 KNOMTWQSMKUNIA-CQSZACIVSA-N 372.494 3.750 0 40 FHAB CC1(C)c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccccc3)C(=O)N21 4029381 YWVZSRSKYWCHBZ-SFHVURJKSA-N 359.429 3.792 0 40 FHAB biogenic CCc1noc(-c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)n1 64580059 USSINCZHOVZLJH-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB CCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)O[C@@H](C)C(C)(C)C 4189499 YSPKMEHEJZOWNY-GUYCJALGSA-N 360.454 3.691 0 40 FHAB O[C@@H](CNC[C@@H]1CC1(Cl)Cl)COc1ccc(-c2ccccc2)cc1 6085911 AJPQLHOKRRLUMH-IRXDYDNUSA-N 366.288 3.877 0 40 FHAB NC(=O)c1ccc(CSc2nnc(Nc3ccccc3F)s2)cc1 9363858 GWQMSIFWHDAJDP-UHFFFAOYSA-N 360.439 3.812 0 40 FHAB O=c1ccc(-c2ccc(Br)cc2)nn1Cc1ccc(F)cc1 5397934 VYGDFNMARUBACB-UHFFFAOYSA-N 359.198 3.860 0 40 FHAB COCc1nnc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)s1 6421440 VPUXJMPIKBSOGD-FOWTUZBSSA-N 351.431 3.864 0 40 FHAB COC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 4588947 JKDZEWXWWZZBAL-HNNXBMFYSA-N 369.417 3.582 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)s2)c1 4562909 QDWUSXHTMYKLBN-SNVBAGLBSA-N 351.811 3.788 0 40 FHAB O=C(COC(=O)CC1CCCCC1)Nc1ccccc1Br 28611388 CSNFQUCWFAULNE-UHFFFAOYSA-N 354.244 3.901 0 40 FHAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 6590100 ICVUHQWTNCQJBA-GJZGRUSLSA-N 367.430 3.668 0 40 FHAB Cc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2ccc(O)cc2)cc1 4691217 LFZZWSGOHNGQGD-UHFFFAOYSA-N 364.401 3.570 0 40 FHAB COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(F)cc2)sc(C)c1C 4103885 QIUQIKHQGMQRRU-SNVBAGLBSA-N 351.399 3.697 0 40 FHAB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)c1c[nH]c2ccccc12 6886778 VXTWICKWUXOZNI-UHFFFAOYSA-N 357.793 3.935 0 40 FHAB O=C(NCC1CCCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc12 6943779 ZGXAHDSGELEBDW-UHFFFAOYSA-N 361.445 3.696 0 40 FHAB CCCn1nnc(NCc2ccccc2OCc2ccc(Cl)cc2)n1 15356945 MDTWYKJLZCUVRB-UHFFFAOYSA-N 357.845 3.928 0 40 FHAB Cc1occc1-c1nnc(S[C@H](C)C(=O)N2CCc3ccccc32)o1 7195076 GQGNEMNNZZWMOL-GFCCVEGCSA-N 355.419 3.708 0 40 FHAB C[C@@H]1c2ccsc2CCN1C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 7830432 QGINIFJVYHAHSE-CYBMUJFWSA-N 364.511 3.841 0 40 FHAB COc1ccccc1NC(=O)[C@H](C)Sc1nnc(C2CC2)n1C1CC1 7904121 KNWVCWVPEYVYBW-NSHDSACASA-N 358.467 3.618 0 40 FHAB CC(=O)N[C@@H]1C(=O)N(Cc2ccccc2OC(C)C)c2c(C)cccc21 8047539 NWTZIFOSTYDZOA-IBGZPJMESA-N 352.434 3.506 0 40 FHAB Cn1c(SCC(=O)NCCc2ccc(Cl)cc2)nc2ccccc21 8425322 DEIHIPFMLXPGRI-UHFFFAOYSA-N 359.882 3.678 0 40 FHAB COc1cc(NC(=O)NCc2cccc(Cl)c2)ccc1N1CCCC1=O 69876207 GUVYRMSGSFQHOL-UHFFFAOYSA-N 373.840 3.797 0 40 FHAB O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)Nc1ccc2c(c1)COC2 92163206 KWLHNRWDJVAGMZ-AWEZNQCLSA-N 355.413 3.504 0 40 FHAB O=C(CCc1cccs1)NCC(=O)Nc1cc(Cl)ccc1Cl 8726451 GNGMGLHGGXGEHS-UHFFFAOYSA-N 357.262 3.742 0 40 FHAB CCCCOCCN(C(=O)[C@H]1CCCO1)c1ccc(Br)cc1 72288269 VGGGOXMFPZYNIL-MRXNPFEDSA-N 370.287 3.778 0 40 FHAB Cc1cc(C(=O)N2CCCC2)ccc1NCCc1ccc2c(c1)CCO2 95996939 XDZOMIASPYIROQ-UHFFFAOYSA-N 350.462 3.821 0 40 FHAB CN(C)c1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 9932195 ATIROPZLLPSMEK-UHFFFAOYSA-N 351.494 3.669 0 40 FHAB Cc1nc2c(s1)[C@H](N(C)C(=O)c1cccc(OCC(F)F)n1)CCC2 89808634 AVLFVFAXRCCFOF-CYBMUJFWSA-N 367.421 3.640 0 40 FHAB O=C(Nc1cccc2cccnc12)N1CCCC[C@@H]1[C@@H](O)C(F)(F)F 89808034 DRJOAOYQAMNNIN-UKRRQHHQSA-N 353.344 3.544 0 40 FHAB O=C(NC1CCCCCC1)c1ccccc1NS(=O)(=O)c1ccccc1 409408249 JRULBOZDDQKOIZ-UHFFFAOYSA-N 372.490 3.940 0 40 FHAB COc1ccccc1CNC(=O)C1CCN(Cc2cccc(C)c2)CC1 39745261 ZPBZUNRPCKLBGK-UHFFFAOYSA-N 352.478 3.532 0 40 FHAB NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 30757314 ACHSANVWBKNSCB-UHFFFAOYSA-N 371.440 3.601 0 40 FHAB CC(C)(NC(=O)c1ccc(-c2cc[nH]n2)s1)c1cc(C(F)(F)F)on1 561734472 RLEPIYHCRVTXJC-UHFFFAOYSA-N 370.356 3.810 0 40 FHAB O=C(NCc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1Cl 42645896 KYMBQJUDHJZFQN-UHFFFAOYSA-N 357.624 3.902 0 40 FHAB CCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2C)c1 224120967 BALKESHHOHNABJ-MRXNPFEDSA-N 374.506 3.739 0 40 FHAB CCOC(=O)c1ccc(NC(=O)COc2ccc(F)cc2)cc1Cl 222783708 HFZIRXQLRRZBKS-UHFFFAOYSA-N 351.761 3.673 0 40 FHAB COc1ccc(C(=O)Cn2nc(-c3ccc(SC)cc3)ccc2=O)cc1 44903895 YDMNLSXKTKGRTO-UHFFFAOYSA-N 366.442 3.524 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)NCc1cccc(CN2CCCCC2)c1 224685141 DTJDYCJGOFUJER-SFHVURJKSA-N 352.478 3.756 0 40 FHAB COc1ccc(C)cc1NC(=O)CCc1nc(-c2cccc(F)c2)no1 225800301 DPBSWMIJLGKLRR-UHFFFAOYSA-N 355.369 3.764 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=S)Nc1ccc(C(=O)N(C)C)cc1 225516233 ZIVAHGYJBWRDKG-HNNXBMFYSA-N 355.507 3.696 0 40 FHAB O=C(c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1)N1CCCO1 96037753 WUTBMQWLGKRBMP-UHFFFAOYSA-N 374.444 3.800 0 40 FHAB Brc1ccc(CN2CCC[C@H](COc3ncccn3)C2)s1 1776009496 GIOMGASNVMZLRQ-LBPRGKRZSA-N 368.300 3.592 0 40 FHAB CCOc1cc2c(cc1CN1[C@H](C(=O)O)C[C@@H]3CCCC[C@H]31)O[C@@H](C)C2 1615052172 KRVYUIGLBCFLLU-ZZCKCESHSA-N 359.466 3.626 0 40 FHAB Cc1cccc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)n[nH]2)c1F 1627172868 OMCQQEWTGUMFFX-UHFFFAOYSA-N 358.804 3.545 0 40 FHAB COc1cccc([C@@H](CNC(=O)/C=C/c2ccc(SC)cc2)OC)c1 96390148 WXLJRYHESONSOZ-VSRDTVRMSA-N 357.475 3.934 0 40 FHAB CC[C@@](CNS(=O)(=O)c1ccccc1Cl)(OC)c1ccccc1 96391887 FGHYAMPSSVDLQO-KRWDZBQOSA-N 353.871 3.570 0 40 FHAB COc1ccc(OC)c(CNCc2ccccc2OCc2ccncc2)c1 27217568 RWRHSTKSFNQUNQ-UHFFFAOYSA-N 364.445 3.968 0 40 FHAB CC1(C)C[C@]2(CCCN2C(=O)c2cccnc2)CN1c1cccc(F)c1 1615158673 RSMSNCIIAZPTSL-OAQYLSRUSA-N 353.441 3.884 0 40 FHAB COC(=O)c1cc2cc(Br)ccc2c(Br)c1O 142076061 YRUOQDDAZISIHJ-UHFFFAOYSA-N 360.001 3.857 0 40 FHAB Cc1cc(C)cc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c1 5439524 NRPGFBUBBARQBR-UHFFFAOYSA-N 372.490 3.794 0 40 FHAB COc1cc(NC(=O)Cc2cccc(C)c2)ccc1N1CCCCC1=O 5441521 PSWYUCGRSWALEC-UHFFFAOYSA-N 352.434 3.702 0 40 FHAB Cc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)NC3CCCC3)cs2)cc1 5564620 FQBJPKZMAADGCH-ZDUSSCGKSA-N 358.463 3.723 0 40 FHAB CC(C)Oc1cccc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2cccnc2)c1 12135026 UKBREXZLORDYGV-TYABSZSSSA-N 366.505 3.989 0 40 FHAB N[C@@H]1CCc2nc(-c3cccnc3)nc(Nc3ccc(Cl)cc3)c2C1 19341122 CXTIVZBAHSEANS-CQSZACIVSA-N 351.841 3.752 0 40 FHAB O=C(Cc1ccccc1F)N1CCCC[C@H]2NCC[C@H](c3ccccc3)[C@H]21 19373912 KZNJDBXPWDYBTE-KJXAQDMKSA-N 366.480 3.895 0 40 FHAB Cc1cc(C(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)nc2ccccc12 19660812 VJYXYLVTEGBLIR-SFHVURJKSA-N 361.445 3.760 0 40 FHAB CCN[C@H]1CN(Cc2cncn2Cc2ccccc2)C2(CCCCC2)C1 19703847 URGJQFNJWCHLDZ-HXUWFJFHSA-N 352.526 3.818 0 40 FHAB COc1ccc(-c2cc(CN(C)c3ncnc4sccc34)on2)cc1 24829765 PFDDZPOEOLXPNI-UHFFFAOYSA-N 352.419 3.991 0 40 FHAB O=C(CCc1nc2ccccc2s1)N1CCN(c2ccc(F)cc2)CC1 7954987 XLHLIVCAHRQPBY-UHFFFAOYSA-N 369.465 3.717 0 40 FHAB CCOc1cc(-c2nnc(NC(=O)C(C)C)o2)cc(OCC)c1OCC 4479407 QPIOKVNOEAHXOH-UHFFFAOYSA-N 363.414 3.527 0 40 FHAB Cc1ccc(F)cc1NC(=O)Cn1cnc2c(sc3ccccc32)c1=O 17121317 MNLLFPBGSVUUBP-UHFFFAOYSA-N 367.405 3.697 0 40 FHAB Cn1cccc1[C@H](CNC(=O)C1CCCCC1)N1CCc2ccccc2C1 21151546 GNWJTIHYAFKZNT-QFIPXVFZSA-N 365.521 3.821 0 40 FHAB C=CC(=O)Nc1ccc(C(=O)Nc2cc(Br)ccc2O)cc1 1610910728 MGDLURLTDBBCMT-UHFFFAOYSA-N 361.195 3.532 0 40 FHAB C[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)N1C(=O)CCC1=O)C(=O)O 885163371 MZDRJPZNLPSUPV-BEFAXECRSA-N 365.429 3.525 0 40 FHAB in-vitro O=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CCN(C(=O)C2CC2)CC1 36728276 FQZBULJGLBBHBM-UHFFFAOYSA-N 374.893 3.763 0 40 FHAB O=C1OC(C23CC4CC(CC(C4)C2)C3)=N/C1=C\c1cnn(-c2ccccc2)n1 32674148 OUXAFPXSUZWCIC-OCKHKDLRSA-N 374.444 3.780 0 40 FHAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2cc(F)c(F)cc2Cl)CCC[C@H]1C 102213661 IVCNLWXIPVWAFA-FTGAXOIBSA-N 359.800 3.716 0 40 FHAB CCc1ccc(OCC(=O)N2CCCC[C@@H]2CCN2CCCCC2)cc1 21658741 YIYMSKBKQIWLLM-HXUWFJFHSA-N 358.526 3.885 0 40 FHAB C[C@@H](Nc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccc(F)cc1 22342991 VUASJWZTNUIICN-CQSZACIVSA-N 363.458 3.568 0 40 FHAB CCOC(=O)c1c(NC(=O)c2cccc(OC)c2OC)sc(C)c1C 659322 OABNULXMZGPTGK-UHFFFAOYSA-N 363.435 3.811 0 40 FHAB Cc1noc([C@H](C)N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 22931575 DKPMXUXAYFVORH-KRWDZBQOSA-N 362.477 3.846 0 40 FHAB O=C(Nc1ccccc1N1CCCCC1)c1ccc(Cn2cncn2)cc1 22978684 JTRKECNXYHHNBJ-UHFFFAOYSA-N 361.449 3.569 0 40 FHAB Cc1cc(C)nc(SCC(=O)Nc2ccccc2Br)n1 830343 HBAMECOFIXXMAM-UHFFFAOYSA-N 352.257 3.587 0 40 FHAB O=C(Cn1c(-c2ccccc2)noc1=O)N(c1ccccc1)c1ccccc1 1332527 JNTOMWKBHMGNBY-UHFFFAOYSA-N 371.396 3.868 0 40 FHAB COc1ccc(C(=O)C2CCN(C(=S)Nc3ccccc3)CC2)cc1 1336840 KKRGKGNDZXERQG-UHFFFAOYSA-N 354.475 3.987 0 40 FHAB COc1ccc([C@@H](OC(=O)c2ccco2)C(=O)NCc2ccccc2)cc1 1381056 QGJHEKYKDMSAII-LJQANCHMSA-N 365.385 3.503 0 40 FHAB COC(=O)c1ccc(/C=C2/N=C(c3ccc4ccccc4c3)OC2=O)cc1 2301047 SCXGSFSIKYIIBS-XDHOZWIPSA-N 357.365 3.971 0 40 FHAB O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)NCCc1ccccc1 3303656 JCQVBZMNOILBKF-UHFFFAOYSA-N 373.452 3.798 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2ccncc2)n1C 3587988 GCVIDPBZGRTBMM-UHFFFAOYSA-N 363.446 3.642 0 40 FHAB CCOc1ccc(C2=Nn3c(nnc3-c3cccc(OC)c3)SC2)cc1 3911148 WFYNUIGQTDMITR-UHFFFAOYSA-N 366.446 3.711 0 40 FHAB COc1ccc(/C=C/C(=O)OC[C@@H]2CCCN3CCCC[C@H]23)cc1OC 4029538 QROSMYNPMUCJFW-QWXXHLNBSA-N 359.466 3.525 0 40 FHAB biogenic Fc1ccc(Cn2nnc3c(SCc4ccccc4F)ncnc32)cc1 4166481 XPHGIFONPYHXSO-UHFFFAOYSA-N 369.400 3.840 0 40 FHAB CCOC(=O)c1csc(NC(=O)c2cc(Cl)sc2Cl)n1 4174173 SVUCOHRUMQXCSR-UHFFFAOYSA-N 351.236 3.940 0 40 FHAB Cc1ccccc1-n1ncc2c(=O)n(Cc3cccc(Cl)c3)cnc21 4479087 JHAWHEVLBWWTDY-UHFFFAOYSA-N 350.809 3.592 0 40 FHAB O=C(Nc1ccccc1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 4549143 QOKVPLVBKKFVML-UHFFFAOYSA-N 355.401 3.641 0 40 FHAB O=C(Nc1ccc(-c2nn3cnnc3s2)cc1)c1cc2ccccc2o1 4813899 BMBVSCNEQKHQCT-UHFFFAOYSA-N 361.386 3.851 0 40 FHAB Cc1ccc(/C=C/C(=O)OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)o1 4935181 XTVZOGAWQBEFQX-GFOMBABLSA-N 371.433 3.625 0 40 FHAB CCOC(=O)[C@@H]1CCCN(C(=O)CSc2ccc3ccccc3c2)C1 4948323 KWRKNFOOVWPIPC-QGZVFWFLSA-N 357.475 3.734 0 40 FHAB CC(=O)N1CCCc2cc(NS(=O)(=O)c3c(C)cc(C)cc3C)ccc21 5099505 OMEXWYXVXITEMP-UHFFFAOYSA-N 372.490 3.712 0 40 FHAB Cc1ccc(C(=O)CSc2nnc3ccc(-c4ccco4)nn23)cc1 5168205 ABBKSZWRFASHHU-UHFFFAOYSA-N 350.403 3.668 0 40 FHAB CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1 6204490 YBRHKMQXTYIONU-UHFFFAOYSA-N 366.870 3.589 0 40 FHAB CC(C)N(C(=O)CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)C(C)C 6327455 KFJVWIZVCYXXGN-JUBDITTISA-N 372.490 3.925 0 40 FHAB CCc1ccc(OCC(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 6450626 SWLQRDUSLZXUNB-UHFFFAOYSA-N 372.534 3.587 0 40 FHAB O=C(COC(=O)CSc1ccccc1)Nc1ccc(Cl)cc1F 6886847 YKPWLXUCCDVMDI-UHFFFAOYSA-N 353.802 3.753 0 40 FHAB CCC(C)(C)NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2 7081460 KKMXOERGQNZCFW-CQSZACIVSA-N 368.477 3.821 0 40 FHAB COc1ccccc1NCCS(=O)(=O)c1cc(Cl)ccc1Cl 7358587 VGVBHCVHOIALKM-UHFFFAOYSA-N 360.262 3.888 0 40 FHAB CC(C)c1nnc(-c2cc3ccccc3n2CC(=O)NCc2ccco2)o1 8769153 RCINZIBEWGHBDE-UHFFFAOYSA-N 364.405 3.724 0 40 FHAB CCCN1C(=O)CCc2cc(NC(=O)COc3ccc(F)cc3)ccc21 9107288 XLZSTRBKIFHFGL-UHFFFAOYSA-N 356.397 3.532 0 40 FHAB CCCc1c(C(=O)OCC)nnc2c(-c3ccc(Cl)cc3)c(C)nn12 9303141 JCTHCABSRAKPKV-UHFFFAOYSA-N 358.829 3.882 0 40 FHAB Cc1c(Cl)cccc1Nc1nnc(SCC(=O)NC2CC2)s1 9499064 DMEKCOOOZOJIJX-UHFFFAOYSA-N 354.888 3.614 0 40 FHAB Cc1nc2ccccn2c(=O)c1NC(=O)c1ccc(-c2ccccc2)cc1 9616869 AJGSRBGWMZVKBO-UHFFFAOYSA-N 355.397 3.922 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@H](NC(=O)Nc2ccccc2)C(C)C)cc1 9689923 IYIFUVSWOIVSGO-GOSISDBHSA-N 353.422 3.674 0 40 FHAB CCOC(=O)N1CCC(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)CC1 9762648 VXYWJDGTIZGTJK-KRWDZBQOSA-N 366.889 3.817 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCc2sccc2C1 10341375 UWWDJUQTQVFWPY-LLVKDONJSA-N 350.871 3.795 0 40 FHAB Cc1ccc(-c2nc(CNC(=O)C3(c4ccccc4F)CC3)no2)cc1 12195271 VRPIAGYKUPAQLR-UHFFFAOYSA-N 351.381 3.532 0 40 FHAB Cc1nn(-c2ccccc2)nc1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 12372681 IXDPAWOPQPBWPX-NOCBQHASSA-N 364.493 3.910 0 40 FHAB CC(C)C(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 12596296 QZPALQHMIFDEMG-LBPRGKRZSA-N 360.845 3.769 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)CSC1=Nc2ccccc2[C@@H]2CC=NN12 12645189 XXBSQJVWOVZCRW-UNEWFSDZSA-N 356.495 3.848 0 40 FHAB CCOC(=O)/C=C/c1ccc(NC(=O)COc2ccc(F)cc2F)cc1 12746797 RRTXNYSQNIIUNT-BJMVGYQFSA-N 361.344 3.559 0 40 FHAB C[C@@H]1C[C@@H]1c1ccc(CN(C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)o1 12805519 SPPSQHPLELOSTR-ABAIWWIYSA-N 357.841 3.925 0 40 FHAB OCCN(Cc1ccc(OCc2ccccc2F)cc1)Cc1cccnc1 13569642 CPBLXJGVUQBIJH-UHFFFAOYSA-N 366.436 3.794 0 40 FHAB CC[C@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1ccc(C(C)C)cc1 13572058 QAELYVVHLHLAIA-AWEZNQCLSA-N 355.467 3.986 0 40 FHAB Cc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCCC2)c(C)c1 14001106 JZJXDDPJHHGNIZ-UHFFFAOYSA-N 366.461 3.947 0 40 FHAB CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1 14115489 PCDQQBAYYMBUEF-AWEZNQCLSA-N 365.385 3.710 0 40 FHAB CC(C)(C)c1ccc(NC(=O)CSc2nncn2Cc2ccco2)cc1 14199093 VFOINHAKMRVARI-UHFFFAOYSA-N 370.478 3.948 0 40 FHAB Cc1cc(C)c(CNC(=O)/C=C/c2cc(Cl)ccc2Cl)c(=O)[nH]1 14250844 OSNQXWRGBFKYRD-ZZXKWVIFSA-N 351.233 3.628 0 40 FHAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2cccc(F)c2)NC(=S)N1 14251239 OIWHZEOQFAIZFF-QGZVFWFLSA-N 355.438 3.566 0 40 FHAB CCCc1ccc(NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)cc1 15813836 DILGACXEPSEKCM-UHFFFAOYSA-N 361.401 3.734 0 40 FHAB COc1ccc(OCCC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 15948941 WASHXZARSIQOPO-UHFFFAOYSA-N 365.813 3.773 0 40 FHAB COc1ccc(OC)c([C@@H]2S[C@H](C)C(=O)N2c2ncc(C)s2)c1 19927667 IINCXPIJQXRYED-BMIGLBTASA-N 350.465 3.636 0 40 FHAB Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 20130422 FXBBJYBWNUVXKF-UHFFFAOYSA-N 350.749 3.742 0 40 FHAB Cc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c(C)c1 20456928 BTKYQDQLGKORQK-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB COc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1OC 24964489 WZJXGKKMLOFEKH-UHFFFAOYSA-N 357.797 4.000 0 40 FHAB O=C(Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1)N1CCOCC1 27339777 PKTMNGYBMMMFLQ-UHFFFAOYSA-N 372.375 3.963 0 40 FHAB CN(CCCNC(=O)N[C@H](c1ccccc1)c1ccccn1)c1ccccc1 29730204 VDBQYVSPQHDYPA-JOCHJYFZSA-N 374.488 3.997 0 40 FHAB Cc1ccc(C(=O)c2ccccc2C(=O)NCc2nc(C)cs2)cc1 29885925 OXLWLTXUSJEQMX-UHFFFAOYSA-N 350.443 3.921 0 40 FHAB CC(C)Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(c3cnccn3)C2)cc1 32777423 IUOGKEMPMIOZKI-XLIONFOSSA-N 366.509 3.769 0 40 FHAB O=C1C[C@H](Nc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1F 36635715 WRJUUEBRCQPEFD-LBPRGKRZSA-N 353.180 3.877 0 40 FHAB Nc1cc(-c2ccc(I)cc2)nn1-c1ccccc1 37352271 FLXQDKZROUTIQQ-UHFFFAOYSA-N 361.186 3.726 0 40 FHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)NCCSc1ccccc1 40068767 SUNSBPBNXFCJHK-UHFFFAOYSA-N 358.463 3.739 0 40 FHAB O=C(NCc1cccc(Cl)c1)Nc1cccc(-c2nnnn2C2CC2)c1 40104390 CGEQFANXMMWDPH-UHFFFAOYSA-N 368.828 3.650 0 40 FHAB COc1ccc(CCC(=O)Nc2nc(-c3ccccc3)ns2)cc1OC 42090814 VOQSGZVSGXMCLQ-UHFFFAOYSA-N 369.446 3.794 0 40 FHAB O=c1ccc2cc(S(=O)(=O)Oc3cc(Cl)ccc3Cl)ccc2o1 44288109 FAASTFSFDSYFBP-UHFFFAOYSA-N 371.197 3.868 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)Sc2nc3cc(Cl)ccc3n2C)no1 48346160 QWJYIADPKSDKPN-SECBINFHSA-N 350.831 3.642 0 40 FHAB CCOc1ccc(NC(=O)CSc2nc(O)c3sccc3n2)cc1 51317203 MPWVVTBEGQBMMV-UHFFFAOYSA-N 361.448 3.526 0 40 FHAB COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]2c2ccsc2)cc1OC 52803664 AHSKNZHDLYMBCP-XJKSGUPXSA-N 360.479 3.929 0 40 FHAB COCCN1COc2ccc3c(=O)c(-c4ccc(F)cc4)c(C)oc3c2C1 54313726 MMITZALHCUUQTC-UHFFFAOYSA-N 369.392 3.706 0 40 FHAB biogenic CC(C)c1noc(CNc2ccc(C(=O)NCc3ccccc3F)cc2)n1 55868268 BCVYLLKXXDSULT-UHFFFAOYSA-N 368.412 3.874 0 40 FHAB CC1CCN(CCCNC(=O)N[C@@H]2CCOc3c(Cl)cccc32)CC1 56804937 BBPYNGJZDOUVCO-QGZVFWFLSA-N 365.905 3.585 0 40 FHAB CCOc1ccc(N2C[C@@H](C(=O)NC3CCCCCCC3)CC2=O)cc1 57363729 OQNLXKHADYLHDB-INIZCTEOSA-N 358.482 3.667 0 40 FHAB O=C(CC[C@H]1CCCO1)Nc1nnc(SCc2cccs2)s1 58169101 FJJQHHGHURRTNR-SNVBAGLBSA-N 355.510 3.790 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@@H](C)CC[C@@H]1CCCO1 58178248 RTIPWCLUYSLOHI-LIRRHRJNSA-N 373.472 3.635 0 40 FHAB Cc1nc(SCc2ccccc2Oc2cccnc2)sc1CC(N)=O 58265163 VITOBMJUZMSIHB-UHFFFAOYSA-N 371.487 3.959 0 40 FHAB CCOc1ccc(-c2noc(Cc3nnc(-c4ccc(F)cc4)o3)n2)cc1 65185501 VUFXNOJKYCLISG-UHFFFAOYSA-N 366.352 3.915 0 40 FHAB O=C(O)c1cc(NS(=O)(=O)C2=Cc3ccccc3CC2)ccc1Cl 65512776 WMLPRNVNUHTGFH-UHFFFAOYSA-N 363.822 3.767 0 40 FHAB CC[C@H](NC(=O)c1ccc2c(=O)[nH]c(S)nc2c1)c1ccc(Cl)cc1 65623538 FDHNJWDVEUYNRC-AWEZNQCLSA-N 373.865 3.746 0 40 FHAB O=C([C@@H]1CC(c2ccc(Cl)s2)=NO1)N1CC2C[C@H]3CC1C[C@@H](C2)C3 65815165 UWYHCUBMTZUHOD-XILHMQAWSA-N 364.898 3.932 0 40 FHAB CCCCC(=O)NC1CCN(Cc2ccc(Br)s2)CC1 69414059 ZQGRFUQVRFDLMI-UHFFFAOYSA-N 359.333 3.781 0 40 FHAB Cc1ccc(NC(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)cc1C 70636601 LMIWBVRIUXGVSX-QGZVFWFLSA-N 352.356 3.875 0 40 FHAB CC1(C)OCC2(CO1)CN(C(=O)C1(c3ccc(Cl)cc3)CCCC1)C2 70971741 FULDOVPKNQHPRZ-UHFFFAOYSA-N 363.885 3.763 0 40 FHAB COc1cc(OC)cc(-c2nnc(-c3cc4ccccc4oc3=O)o2)c1 72332494 SVSDUKAKRYKEOU-UHFFFAOYSA-N 350.330 3.527 0 40 FHAB C[C@@H](C(=O)NCc1cccs1)[S@@](=O)Cc1cccc2ccccc12 75495961 AHHPWPDNADQRJZ-LFPIHBKWSA-N 357.500 3.855 0 40 FHAB Cc1ccc(N2CCC(C(=O)N3CC[C@H](Cc4ccccc4)C3)CC2)nc1 76507664 NGWKEZJTMIIOOX-HXUWFJFHSA-N 363.505 3.698 0 40 FHAB Cc1cccc(C2(C(=O)NCCN3CCCCCC3=O)CCCCC2)c1 84210680 JRSMYMIRKJTWMS-UHFFFAOYSA-N 356.510 3.716 0 40 FHAB O=C1C2=C(CCCC2)[C@H](N[C@H]2CCCc3ccccc32)N1C[C@@H]1CCCO1 95483075 PTPLPMIEMQNNNC-BULFRSBZSA-N 366.505 3.872 0 40 FHAB CC(C)(C)c1ccc(OCc2nc([C@H](N)Cc3ccccc3)n[nH]2)cc1 95534918 CNDXPFFCJWKQOP-GOSISDBHSA-N 350.466 3.924 0 40 FHAB CO[C@@H](CNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1C 96105083 VBWFAHJEXBILNT-INIZCTEOSA-N 373.396 3.680 0 40 FHAB CCOc1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1 96171136 IDKNEIXFJYSSQY-UHFFFAOYSA-N 374.231 3.788 0 40 FHAB O=C(CC1(n2cccc2)CCCCC1)NCCc1nc2ccccc2[nH]1 96232453 NZEVFVXOGHNCJN-UHFFFAOYSA-N 350.466 3.773 0 40 FHAB O=C(NCC1(c2cccc(Cl)c2)CCCC1)[C@@H]1CCCN1C(=O)C1CC1 98106268 PLWYDAATQOKCFY-SFHVURJKSA-N 374.912 3.669 0 40 FHAB C[C@H]1CC[C@H]2C(=O)N(c3ccc(OC(=O)c4ccccc4)cc3)C(=O)[C@@H]2C1 100744316 XIQJOGWEMFMGQR-GDIGMMSISA-N 363.413 3.831 0 40 FHAB Cc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccco2)cc1 102898477 GRBAIUFNVZXASS-PGRDOPGGSA-N 372.380 3.669 0 40 FHAB CCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 102986724 ZTVSUNWOSNKKIZ-KODHJQJWSA-N 355.434 3.708 0 40 FHAB COc1ccc(CN2CC[C@]3(C[C@@H](Nc4cccc(F)c4)CO3)C2)cc1 107728392 QQTZKGMAIOOPOE-CTNGQTDRSA-N 356.441 3.680 0 40 FHAB Cc1cc(C(=O)Nc2cncc(Br)c2O)c(C)n1C(C)C 119841915 MKZAKALBUOMAAG-UHFFFAOYSA-N 352.232 3.801 0 40 FHAB COc1ccc(C)c(NS(=O)(=O)c2ccccc2Br)c1 199753150 SDPXPKMMWUHDNT-UHFFFAOYSA-N 356.241 3.567 0 40 FHAB CCOC(=O)CCC(=O)N1CCS[C@@H](c2ccccc2Cl)CC1 208045726 ILCBTDRHCBXWNL-OAHLLOKOSA-N 355.887 3.690 0 40 FHAB CCOC(=O)c1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)c(C)c1 222643175 YGRMOLNLIKVXFL-UHFFFAOYSA-N 369.417 3.514 0 40 FHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc(F)cc1 222784791 YYAOGVXDQGJUCO-QGZVFWFLSA-N 359.397 3.632 0 40 FHAB CCSc1ccccc1NS(=O)(=O)c1cc(C(=O)OC)ccc1C 223837791 NRKGJBRWCXCIMD-UHFFFAOYSA-N 365.476 3.694 0 40 FHAB CCCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1 224195224 UHJOWZWQRHPYMB-UHFFFAOYSA-N 374.506 3.740 0 40 FHAB Cc1ccc2oc(CCCC(=O)NCCOCc3ccccc3)nc2c1 224949901 FXHPQNMEMVIEPY-UHFFFAOYSA-N 352.434 3.792 0 40 FHAB CCC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC(C)C 224956379 WQTGEBFHUVIPOB-FQEVSTJZSA-N 370.468 3.700 0 40 FHAB COCCNC(=O)c1cc(N)ccc1Nc1cc(Cl)cc(Cl)c1 225476837 FVIWHMBYGZYICM-UHFFFAOYSA-N 354.237 3.695 0 40 FHAB O=C(COc1cccc(C(F)(F)F)c1)NCCCc1ccc(F)cc1 225813228 LTZYZEXYICVOHM-UHFFFAOYSA-N 355.331 3.972 0 40 FHAB COc1cc(C)nc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)n1 225978197 JXNWLFOPFOXCEY-UHFFFAOYSA-N 374.485 3.731 0 40 FHAB C[C@H](NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 242565698 CFHRBPYQOJZQBM-SFHVURJKSA-N 372.468 3.812 0 40 FHAB COc1ccc(CN2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)cc1 247883779 KDSCUESDDWYUPH-IRLDBZIGSA-N 368.477 3.540 0 40 FHAB O=C(CN1CCCC1)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257257266 KOVCXWTZWXMSJY-GOSISDBHSA-N 373.884 3.678 0 40 FHAB O=C(c1cccc2ncccc12)N1CCCC[C@@H]1c1ccn2nccc2n1 257302066 SBFXMIRRWQLKID-LJQANCHMSA-N 357.417 3.645 0 40 FHAB Cc1c(F)cccc1NC(=O)CSc1nnc(COc2ccccc2)o1 409006825 LZQMWOYAZPVSGS-UHFFFAOYSA-N 373.409 3.827 0 40 FHAB Cc1cccc(CCNC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)n1 560541121 QOKMYMBNWRBZEM-LJQANCHMSA-N 363.465 3.746 0 40 FHAB O=C(NCc1nccnc1-c1cccnc1)c1cc2cc(F)ccc2s1 575619194 INTYRBLGALRSRM-UHFFFAOYSA-N 364.405 3.822 0 40 FHAB O=C(Nc1cnns1)N1CCC(CCc2ccc(F)cc2F)CC1 654044065 OPBKSWQKQAFFEK-UHFFFAOYSA-N 352.410 3.693 0 40 FHAB Cc1ccc(CC2CN(C(=O)N[C@@H](c3ccccc3)[C@@H]3CCOC3)C2)cc1 664574288 AXWLODUGCQQNOO-YADHBBJMSA-N 364.489 3.957 0 40 FHAB C[C@H]1c2ccccc2OCCN1c1nc(-c2cccnc2)nc2c1CCC2 676080064 OVFZPVNQSBDDOT-HNNXBMFYSA-N 358.445 3.987 0 40 FHAB CC(C)c1nc(N(C)C)nc(N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)n1 680378842 OOUSGBITXLESSE-SJORKVTESA-N 373.476 3.557 0 40 FHAB CC(C)(CNS(=O)(=O)c1ccc(Br)cc1)c1ccsc1 1565519729 YJWMRZCBGRAZGE-UHFFFAOYSA-N 374.325 3.767 0 40 FHAB O=C(NCC[C@@H]1CCc2ccccc21)c1cc2cc(F)ccc2[nH]c1=O 1628836345 UXFHHORCTBLWLE-AWEZNQCLSA-N 350.393 3.517 0 40 FHAB Cc1nc2ccccc2n1C1CN(C(=O)CSc2ccc(F)cc2)C1 1775974608 XNLWNKMAGOSECO-UHFFFAOYSA-N 355.438 3.659 0 40 FHAB CC1(C)CCC[C@H](C(=O)NC[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCF)C1 1775989837 BMJCWXQBCIGLFR-FJIDUMEYSA-N 366.521 3.838 0 40 FHAB Cc1ccc(-c2noc(CC3CCN(C(=O)c4ccncc4)CC3)n2)cc1 1888890900 SWGFWWHOJVGQJD-UHFFFAOYSA-N 362.433 3.535 0 40 FHAB Cc1ccc2c(c1)[C@]1(CCN(C(=O)c3ccnc(C(F)(F)F)c3)C1)CO2 2055785131 KEDHSAYUCAHAQL-SFHVURJKSA-N 362.351 3.585 0 40 FHAB O=C(CCOc1ccccc1F)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 55229242 ASDJEQKQPMWXNT-OAHLLOKOSA-N 367.424 3.877 0 40 FHAB COc1cccc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)c1 1256415 ZIGSPAYMAWJURM-UHFFFAOYSA-N 361.423 3.571 0 40 FHAB CCN(C(=O)CCc1ccccc1OC)c1nnc(-c2cccnc2)s1 1356826 YMSLNQBACZGGEQ-UHFFFAOYSA-N 368.462 3.594 0 40 FHAB COc1ccccc1NC(=O)N1CCC[C@H]1C(=O)Nc1c(C)cccc1C 1379759 XDPZJUUOWXUXHA-KRWDZBQOSA-N 367.449 3.947 0 40 FHAB COc1ccc(NC(=O)N2CCC(n3cnc4ccccc43)CC2)cc1 1380352 KNARCGKEAVPJEE-UHFFFAOYSA-N 350.422 3.914 0 40 FHAB CC1(C)CC(=O)c2sc(NC(=O)c3ccc(O)c(Cl)c3)nc2C1 79988513 XDHRKKFCLGVUIC-UHFFFAOYSA-N 350.827 3.910 0 40 FHAB C[C@@H](Sc1nccc(C(F)(F)F)n1)C(=O)Nc1ccc(N(C)C)cc1 12537455 QGERTACFRJAJPQ-SNVBAGLBSA-N 370.400 3.681 0 40 FHAB CC[C@@H](NC(=O)C[C@H]1C=CCC1)c1ccccc1OCC(=O)N1CCCC1 55596699 UOJOMZAMNUHWPZ-PKOBYXMFSA-N 370.493 3.611 0 40 FHAB CCC(CC)[C@H](NC(=O)Cn1cnc2ccccc2c1=O)c1cccs1 56007725 NZWKJUQNNZWTHH-IBGZPJMESA-N 369.490 3.752 0 40 FHAB Cc1nc2sc(C(=O)NCc3ccccc3)c(N)c2c2c1CCCC2 6370212 DWRCWGAEUSORLF-UHFFFAOYSA-N 351.475 3.996 0 40 FHAB COC(=O)c1ccc2nc(NC(=S)Nc3cccc(OC)c3)sc2c1 6389278 CBDXFGKLGHIOBK-UHFFFAOYSA-N 373.459 3.900 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1 7382421 JUTLIMHUIWSBNM-KRWDZBQOSA-N 356.441 3.559 0 40 FHAB CCOc1cc(CNC(C)(C)CC(C)(C)C)cc(Cl)c1OCC(N)=O 7520823 AMGDGVUUGMGCRL-UHFFFAOYSA-N 370.921 3.907 0 40 FHAB C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc(Br)cc1 7645627 MCQHRXXCIWYQCT-LLVKDONJSA-N 362.223 3.711 0 40 FHAB CN(C)C(=O)C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 57277093 APEREKQIDOBCAI-IBGZPJMESA-N 352.478 3.934 0 40 FHAB COc1ccc(-c2cc(C(=O)Nc3cccc(F)c3C)n[nH]2)c(OC)c1 57413133 KAEBXRDESCSQRE-UHFFFAOYSA-N 355.369 3.794 0 40 FHAB Cc1cc(NC(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2nccn2C)no1 12574979 TUCTUQIYVBQQEG-HNNXBMFYSA-N 359.817 3.623 0 40 FHAB O=c1c2ccccc2nc(CN2CCc3ccccc32)n1Cc1ccco1 12515311 UZHGKISGVZNCGY-UHFFFAOYSA-N 357.413 3.601 0 40 FHAB CCc1cccc(NC(=O)Cn2c(-c3ccccc3)nc(CC)cc2=O)c1 57527244 YNROPMQUUUHTKR-UHFFFAOYSA-N 361.445 3.674 0 40 FHAB CCCCC(=O)Nc1ccc(OCc2cc(=O)n3c(C)csc3n2)cc1 8654518 VSNFLPZFKZUPNS-UHFFFAOYSA-N 371.462 3.772 0 40 FHAB COC(=O)c1ccoc1CC1CCN(C(=O)[C@@H](C)c2ccsc2)CC1 95451922 IHTYEQZCYCGZSD-ZDUSSCGKSA-N 361.463 3.713 0 40 FHAB CCN(CC)[C@@H](CNC(=O)Cc1coc(-c2ccccc2)n1)c1ccco1 58193165 KZUGGDHZVNRZIU-SFHVURJKSA-N 367.449 3.676 0 40 FHAB O=C1CC[C@H](C(=O)Nc2ccccc2NC23CC4CC(CC(C4)C2)C3)CN1 58202028 CMVDOGSIXXEFQT-ATFGOMPUSA-N 367.493 3.532 0 40 FHAB Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)/C=C/c1nccs1 58282191 QJAIVSURRZFFCX-SNAWJCMRSA-N 360.389 3.626 0 40 FHAB O=c1c2sccc2ncn1Cc1csc(COc2ccccc2)n1 58247110 NYCJVCOTDNEGAA-UHFFFAOYSA-N 355.444 3.542 0 40 FHAB CCOc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1OCC 9062138 FLRGQJAZMCXIGH-UHFFFAOYSA-N 353.378 3.786 0 40 FHAB COc1cc(CNC(=O)[C@@H](C)Sc2ccccc2)cc(OC)c1OC 9887630 ACHKDGSCIJRPKG-CYBMUJFWSA-N 361.463 3.509 0 40 FHAB CCc1sc(C(=O)NCC(=O)Nc2ccccc2OC(F)F)cc1C 24443088 ZSTZHMOAXTZPDL-UHFFFAOYSA-N 368.405 3.589 0 40 FHAB CS(=O)(=O)Cc1cccc(C(=O)Nc2ccccc2SC(F)F)c1 28338465 VXDWATAHASXICT-UHFFFAOYSA-N 371.430 3.798 0 40 FHAB CC(=O)N1CC[C@]2(C(=O)Nc3ccccc3Oc3ccccc3)C[C@H]2C1 101427208 MDJUPVYZDWPOOU-KKSFZXQISA-N 350.418 3.676 0 40 FHAB COc1cc(Cl)c(NCC(=O)NCc2ccccc2Cl)cc1OC 11097033 CEKLWVRKGAFILD-UHFFFAOYSA-N 369.248 3.739 0 40 FHAB O=C1CCCN1c1cccc(C2=NN=C(Nc3ccccc3)SC2)c1 11116941 CPTVUUYGYHNXAN-UHFFFAOYSA-N 350.447 3.732 0 40 FHAB COc1ccc(NC(=O)[C@@H](C)Nc2cc(Cl)c(OC)cc2OC)cc1 28797832 YNNYPPZGOQFAKM-LLVKDONJSA-N 364.829 3.805 0 40 FHAB Cc1cccc(OCCNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)c1 28936109 NHWDQQCQSAWXMJ-UHFFFAOYSA-N 355.825 3.847 0 40 FHAB COc1ccc(C(=O)Nc2cccc(C(=O)O)c2C)cc1Br 20142296 XYJLAFIGDOJJIF-UHFFFAOYSA-N 364.195 3.717 0 40 FHAB C[C@H]1Oc2ccc(NC(=O)N3CCC[C@@H]3c3ccsc3)cc2NC1=O 45985533 OGIZAEMHRPKLOP-IAQYHMDHSA-N 357.435 3.837 0 40 FHAB O=C(Cn1nnc2ccccc21)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 100166382 GKFSEUTYXRYZCY-ROUUACIJSA-N 364.424 3.508 0 40 FHAB Cn1nc(-c2ccccc2Cl)cc1C(=O)N1CCc2ccccc2C1 72405116 DKZCVPHFMJTIPK-UHFFFAOYSA-N 351.837 3.939 0 40 FHAB CCOc1ccccc1NC(=O)CSc1nc(/C=C/c2ccco2)n[nH]1 10623442 ZZMMFNKMINKGNZ-MDZDMXLPSA-N 370.434 3.698 0 40 FHAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3cccc(C)c3)ccc21 10972282 CDPCQVLBLAYBRD-UHFFFAOYSA-N 366.461 3.948 0 40 FHAB Cc1c(C(=O)O)sc2nc3n(c(=O)c12)CC/C3=C\c1cccc(F)c1 13112788 YMZKCTWBUAAHIA-YRNVUSSQSA-N 356.378 3.548 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1Cc1ccncc1 13207217 FFKHMEJXTQSGOB-FQEVSTJZSA-N 368.392 3.933 0 40 FHAB COc1cccc([C@H]2CC(=O)Nc3ccc4nn(-c5ccccc5)nc4c32)c1 96116958 RXHFGSVDVNECLU-QGZVFWFLSA-N 370.412 3.903 0 40 FHAB Cc1ccc(N2C[C@H](c3nc(-c4cccnc4)no3)CC2=O)cc1Cl 9318555 HMACJGZDESMYMC-CYBMUJFWSA-N 354.797 3.614 0 40 FHAB COc1ccc(-c2cc(NC(=O)COc3cccc(C)c3C)on2)cc1 9304874 XYKTYDLPZIEABV-UHFFFAOYSA-N 352.390 3.985 0 40 FHAB Cc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)c(C)c1 4468456 WCOBCEXZAIZHOL-FQEVSTJZSA-N 370.836 3.607 0 40 FHAB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1F 14095880 JVUNYPINJJKUSK-JTQLQIEISA-N 370.346 3.711 0 40 FHAB CC(=O)Nc1cccc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)c1 14140160 RFOUFIPYOJDOHH-CYBMUJFWSA-N 372.494 3.586 0 40 FHAB C[C@@H]1CCCC[C@@H]1n1c(-c2cccnc2)nn(CN2CCOCC2)c1=S 14135737 GMZODQTWYRYFLA-WBVHZDCISA-N 373.526 3.517 0 40 FHAB NC(=O)c1ccsc1NC(=O)Cc1coc2ccc3ccccc3c12 9483291 XRGZUJZMRVOQHM-UHFFFAOYSA-N 350.399 3.928 0 40 FHAB Nn1c(SCc2ncc(-c3ccccc3)o2)nnc1-c1ccccc1F 6532881 CZHRBORZDZABPD-UHFFFAOYSA-N 367.409 3.745 0 40 FHAB Cc1nn([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1Br 6527472 LEBUPWXUHOPFLA-SFCYXTAJSA-N 366.303 3.600 0 40 FHAB COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 5513604 YNIHFPIHYATUHL-UHFFFAOYSA-N 360.413 3.878 0 40 FHAB O=c1[nH]c(=S)n(CCc2ccccc2)c2c1CN(C1CCCCC1)CN2 19874405 CLXFCVGFVSBGKX-UHFFFAOYSA-N 370.522 3.666 0 40 FHAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cc(F)cc(F)c1 4742015 NIRMOOGCRRKFJN-KRWDZBQOSA-N 355.344 3.776 0 40 FHAB O=C(O)c1ccc([C@@H]2SCC(O)=Nc3c2cnn3-c2ccccc2)cc1 95478025 WXPGFZXGDKBFSD-KRWDZBQOSA-N 365.414 3.995 0 40 FHAB O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@@H]1COc2ccccc2O1 6836174 HBQISKIXXNULAI-HXUWFJFHSA-N 359.425 3.852 0 40 FHAB COc1ccc(Cl)cc1NC(=O)C1=NN(c2cccc(C)c2)C(=O)CC1 6860336 ZOFUWPUAEOQUSL-UHFFFAOYSA-N 371.824 3.779 0 40 FHAB COCc1c(C(=O)N2CCCC[C@H]2CN(C)C)sc2cccc(F)c12 66948784 KSWLYYZXZSKPKO-ZDUSSCGKSA-N 364.486 3.743 0 40 FHAB CCC(=O)Nc1ccc(C(=O)CSc2nc3cc(Cl)cnc3[nH]2)cc1 5903378 NXAHSKMUORCJHE-UHFFFAOYSA-N 374.853 3.935 0 40 FHAB COc1ccc(/C=C/C(=O)N(CC(F)(F)F)[C@@H](C)C2CC2)c(OC)c1 7717847 KQPSGJFVMAQJSZ-CRALRDPISA-N 357.372 3.906 0 40 FHAB C[C@H]1c2ccsc2CCN1CC(=O)NCCc1c[nH]c2ccccc12 7879115 VCKXISJARKRPLR-AWEZNQCLSA-N 353.491 3.507 0 40 FHAB CCOc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)COC3)cc1 69094614 ZXQCDNVBUHMOOD-HXUWFJFHSA-N 373.474 3.641 0 40 FHAB O=C(c1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1)N1CCCCC1 8436544 JGZPYGVJAOTCDI-UHFFFAOYSA-N 365.458 3.674 0 40 FHAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(O)cc2)N2C(=N1)Nc1ccccc12 8741352 ACTDYQWNOCNKHA-LJQANCHMSA-N 363.417 3.961 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc(N)c3ccsc3n2)c1 9833673 ZEERBMZEMBPLOF-JTQLQIEISA-N 372.475 3.595 0 40 FHAB Cc1ccnn1-c1ccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 9883512 GLAMZCIOKPHAKV-QGZVFWFLSA-N 371.444 3.857 0 40 FHAB Brc1ccccc1CN1CCC(NCc2ccncc2)CC1 97105290 MBHMUAMGRKITQC-UHFFFAOYSA-N 360.299 3.598 0 40 FHAB Cc1ccccc1C(=O)N1CCCN(c2cc(-c3ccccc3)n[nH]2)CC1 98211521 KMUCQIKPBVKVOO-UHFFFAOYSA-N 360.461 3.738 0 40 FHAB O=C(Nc1nc2c(s1)CCCC2)c1ccc(OC[C@@H]2CCCO2)cc1 9913505 VAMRQRVIMHQHFZ-HNNXBMFYSA-N 358.463 3.832 0 40 FHAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3cc(C)ccc3C)ccc21 64947104 SMSRLJMJJWFSSH-UHFFFAOYSA-N 362.476 3.501 0 40 FHAB O=C(c1nccnc1-c1nc2ccccc2s1)N1C[C@@H]2CC=CC[C@H]2C1 76022920 LLPNUPMXJLKICA-KBPBESRZSA-N 362.458 3.792 0 40 FHAB COc1ccccc1NC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1cccs1 22304758 CAYBTGGUXAZWRO-MRXNPFEDSA-N 373.503 3.530 0 40 FHAB O=c1/c(=C\c2ccc3c4c(cccc24)CC3)sc2nc3ccccc3n12 408764264 SQIJBZFTYUDDJX-XDHOZWIPSA-N 354.434 3.709 0 40 FHAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)NCc3ccccc3)ccc21 22508407 RYVHBZFYARUMSN-UHFFFAOYSA-N 367.449 3.780 0 40 FHAB Cc1ccc(C)c(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)c1 61341509 RWKUNXACOREWGY-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB Cc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4cnccn4)C3)n2)c1 72349185 BPBKGBUDYXFETP-SFHVURJKSA-N 358.445 3.867 0 40 FHAB Cn1nccc1C1CCN(C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 187451004 ICXLNJPYHXOVBB-AZUAARDMSA-N 366.509 3.721 0 40 FHAB COc1cccc(-c2noc(CN(C)C(=S)Nc3ccccc3)n2)c1 78579057 KESXOWUNNSKRQJ-UHFFFAOYSA-N 354.435 3.574 0 40 FHAB Cc1ccc(-n2cc(C(=O)NCc3cccc(C(F)(F)F)c3)nn2)cc1 32487844 YWXCWTXHTGHJSB-UHFFFAOYSA-N 360.339 3.525 0 40 FHAB CC(C)Cc1nc(C(=O)NC[C@@]2(C)OCCc3sccc32)cs1 562178663 GXBAQPWRAKKIJA-QGZVFWFLSA-N 350.509 3.621 0 40 FHAB COc1ccc(-c2nc3cc(-n4cnnc4)ccc3o2)cc1Br 45920429 SRSOKHKFEURIDE-UHFFFAOYSA-N 371.194 3.847 0 40 FHAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225048223 HKBXFUGLBRALPG-JTQLQIEISA-N 362.838 3.659 0 40 FHAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 222863398 DJPCNLXNFXNPAH-MOPGFXCFSA-N 363.490 3.650 0 40 FHAB C[C@@H]1CN(Cc2ccc(C(=O)N[C@H]3CCc4ccccc43)cc2)C[C@@H](C)O1 195528679 FHEZZRCEQVNWLE-YVHKJVDXSA-N 364.489 3.713 0 40 FHAB CN(Cc1nc(-c2cccs2)no1)C(=O)Cc1ccc(Cl)cc1F 225586544 QUPFVXXPIBQBJK-UHFFFAOYSA-N 365.817 3.792 0 40 FHAB Cc1cccc(NC(=S)NCc2ccc(CN3CCCC3=O)cc2)c1 225647849 RGONRAWHXKJFHI-UHFFFAOYSA-N 353.491 3.604 0 40 FHAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C)c1 225056618 FVNQKXJTSHQOQV-ZDUSSCGKSA-N 356.447 3.623 0 40 FHAB CC(=O)N(c1nc(C)c(C(=O)Nc2ccc3[nH]ccc3c2)s1)C1CC1 40268644 QJHPVOVLGRVRQX-UHFFFAOYSA-N 354.435 3.700 0 40 FHAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(Cn2ccnc2)cc1 224848975 MSGCSUIJCQLEFY-UHFFFAOYSA-N 361.430 3.702 0 40 FHAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1 222996280 AQROCDWWVGXMIL-LJQANCHMSA-N 366.505 3.871 0 40 FHAB CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)Cc1ccc(F)cc1 222930563 MJKYIMLKYZXACG-UHFFFAOYSA-N 359.788 3.730 0 40 FHAB c1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccc4ccccc4n2)C3)cc1 96269383 RYUYJWKHQLDRNA-FQEVSTJZSA-N 370.456 3.787 0 40 FHAB biogenic,in-vitro O=[S@](O)(=Nc1nc2ccccc2nc1-[n+]1ccccc1)c1ccccc1 334157697 CEKPABPRVXCBGR-UHFFFAOYSA-O 363.422 3.538 0 40 FHAB C[C@H](OC(=O)Cc1c(F)cccc1Cl)C(=O)N[C@H]1CCCC[C@H]1C 245228104 DIYCRPYZHMSAGV-WQGACYEGSA-N 355.837 3.648 0 40 FHAB Cc1cc(C(=O)Nc2ccc(CN3CCOCC3)c(Cl)c2)ccc1F 542273440 JSCYPGMTHVRFFC-UHFFFAOYSA-N 362.832 3.872 0 40 FHAB Cc1ccc(C(=O)Nc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)c(C)c1 27126839 NPPZUHPZWZBJSY-MRXNPFEDSA-N 362.433 3.952 0 40 FHAB Cc1ncsc1C(=O)Nc1nc2ccc(CN(C)C3CC3)cc2s1 617866673 VQDJEVBUXRNNGV-UHFFFAOYSA-N 358.492 3.908 0 40 FHAB O=C(NC[C@@H]1CCCC12CC2)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 623976607 PMVRPDAIZUIGMQ-YTQUADARSA-N 350.466 3.608 0 40 FHAB Cc1ccc(Cc2nnc(NC(=O)[C@@H]3[C@H]4Cc5ccccc5[C@H]43)s2)cc1 625385512 BVGDXLURHABGLB-QXAKKESOSA-N 361.470 3.962 0 40 FHAB Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)NC[C@H](O)C1CC1 1149642745 PMGKPHNZENIEHA-ZDUSSCGKSA-N 370.396 3.638 0 40 FHAB CN1CCN(S(=O)(=O)c2cccc3ccccc23)[C@@H](c2ccccc2)C1 1250584770 MXFRVYRYOZHYJA-HXUWFJFHSA-N 366.486 3.517 0 40 FHAB Cc1noc(C)c1CN1CCC[C@@H](COc2ncccc2C(F)(F)F)C1 1775995879 MANLMBMJSMPCHX-CQSZACIVSA-N 369.387 3.996 0 40 FHAB COc1ccc(N[C@@H](C)c2ccc(F)c(F)c2)cc1NS(C)(=O)=O 78671627 DJNSFDUNUSILQA-JTQLQIEISA-N 356.394 3.518 0 40 FHAB NC(=O)OCCNc1nc(C2CC2)nc2scc(-c3ccccc3)c12 95460550 CEVNYNAZBQNCNI-UHFFFAOYSA-N 354.435 3.743 0 40 FHAB O=C(CCCn1nc(-c2cccs2)ccc1=O)Nc1ccccc1F 13698553 RWBQYEXJDNXKTL-UHFFFAOYSA-N 357.410 3.530 0 40 FHAB CCCCC(=O)Nc1cc2c(cc1C(=O)c1cccc(F)c1)OCCO2 13945488 RNBBGMHVQPTQHY-UHFFFAOYSA-N 357.381 3.957 0 40 FHAB COC(=O)c1ccccc1/C=C1\N=C(c2ccc(OC(C)C)cc2)OC1=O 14202327 HCYAAORBIVKKJA-PDGQHHTCSA-N 365.385 3.605 0 40 FHAB C=Cc1ccc(Cn2ccn3nc(-c4cccc(OC)c4)cc3c2=O)cc1 1889096012 BFPMJSHARYUIBH-UHFFFAOYSA-N 357.413 3.863 0 40 FHAB CCc1cc2c(N3CCC(Oc4nc(C)cnc4C)CC3)ncnc2s1 2087044507 XYTUCPJMCPIMHZ-UHFFFAOYSA-N 369.494 3.708 0 40 FHAB COc1cc(C(=O)Nc2nc(-c3ccc(C)o3)cs2)cc(OC)c1OC 4174140 YFCOTTXHKJSHQY-UHFFFAOYSA-N 374.418 3.990 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)N1CCN=C1SCc1ccc(F)cc1 4119964 CTIXBCFUIBNGEB-CQSZACIVSA-N 358.438 3.725 0 40 FHAB COc1ccc(C)cc1NC(=O)CSc1ccc(-c2ccco2)nn1 4357931 JFWFLJKTZMGKNB-UHFFFAOYSA-N 355.419 3.784 0 40 FHAB Cc1nonc1-c1csc(NC(=O)c2ccccc2Br)n1 15082976 VMPLNQDDIRNJMI-UHFFFAOYSA-N 365.212 3.516 0 40 FHAB Cc1nn(-c2ccccc2)c2sc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc12 17884984 IQUFGTOPMOXKMC-BETUJISGSA-N 355.463 3.645 0 40 FHAB CC(C)CNC(=O)C[C@H]1CC2(CCN(C(C)C)CC2)Oc2ccccc21 2055738741 NNVVUFQCIRMULZ-SFHVURJKSA-N 358.526 3.958 0 40 FHAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(OC)c1 38500764 UHEUCKZHKNOZHS-UHFFFAOYSA-N 355.369 3.671 0 40 FHAB O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc(Br)o1 40074584 JMFLLSCIFVPHEQ-UHFFFAOYSA-N 360.167 3.877 0 40 FHAB CCC[C@@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 40005257 MLGUWQPRVGKFGF-DNVCBOLYSA-N 359.491 3.851 0 40 FHAB CN(C(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1)c1ccccc1 40107397 XIPXLPKODFGLQI-AWEZNQCLSA-N 363.383 3.980 0 40 FHAB Cc1nc(-c2ccccc2)ccc1C(=O)OCC(=O)N1C[C@@H](C)C[C@@H](C)C1 31316354 SHDMNORNLGGGGV-IYBDPMFKSA-N 366.461 3.718 0 40 FHAB O=C(Nc1cccc(F)c1)[C@H]1CC(O)=Nc2cc(-c3ccc(F)cc3)nn21 32100440 HFINUEWHLKKNIL-MRXNPFEDSA-N 368.343 4.000 0 40 FHAB O=C(Nc1ccc(F)c(F)c1)[C@@H]1CC(O)=Nc2cc(-c3ccccc3)nn21 20731207 JCNSDRUYUCEADY-INIZCTEOSA-N 368.343 4.000 0 40 FHAB CC(=O)c1ccc(C(=O)O[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)s1 32776818 NGXPJNUTTBISOU-CJNGLKHVSA-N 371.458 3.690 0 40 FHAB C[C@H](NC(=O)CSc1nc(-c2ccco2)n[nH]1)c1cc2ccccc2o1 32873586 XIEDMUHWXALIBS-NSHDSACASA-N 368.418 3.780 0 40 FHAB COc1cc(CCC(=O)NC[C@H](C)c2ccccc2)cc(OC)c1OC 21905881 DTNPOJZPOHFICK-HNNXBMFYSA-N 357.450 3.565 0 40 FHAB CC(C)c1ccc(C(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c(O)c1 52900056 DHZTZBKTTDKSAU-INIZCTEOSA-N 372.509 3.626 0 40 FHAB CCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1cccc(Oc2ccccc2)c1 844283 RUEQGPRFNFSALH-GOSISDBHSA-N 351.402 3.920 0 40 FHAB COc1cc(-c2nc3sc4c(c3c(=O)o2)CCCC4)cc(OC)c1OC 940887 BINDHVMBZKUMIQ-UHFFFAOYSA-N 373.430 3.821 0 40 FHAB CCOc1ccc(OCCn2c(SCC(=O)O)nc3ccccc32)cc1 781714 ASJWQLIBNVRFQU-UHFFFAOYSA-N 372.446 3.691 0 40 FHAB CCOC(=O)c1nnn2c1nc(Nc1ccc(Cl)cc1)c1ccccc12 1035689 MODSKDRCFXBLSX-UHFFFAOYSA-N 367.796 3.851 0 40 FHAB Cc1nc(C(=O)Nc2ccc(F)cc2)nn1-c1cccc(C(F)(F)F)c1 1401495 PLOXESHAMHRJBY-UHFFFAOYSA-N 364.302 3.986 0 40 FHAB Cc1ccc(C)c(OCCCC(=O)Nc2nnc([C@H]3CCCO3)s2)c1 1903956 GQCVPWJLZDJNKC-CQSZACIVSA-N 361.467 3.804 0 40 FHAB O=C(c1cccc(CN2CCC3(CC2)OCCO3)c1)c1ccc(F)c(F)c1 2515257 VSFAWFHTJXZYFQ-UHFFFAOYSA-N 373.399 3.535 0 40 FHAB O=C(NC1=NCCS1)c1oc2ccccc2c1COc1ccccc1 2617686 LRVVJXTVHXTACO-UHFFFAOYSA-N 352.415 3.844 0 40 FHAB O=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc2ccccc12 2650483 WVBPRZGZUBBQIG-QGZVFWFLSA-N 367.474 3.652 0 40 FHAB COc1cccc2c(=O)n(CC(=O)Nc3ccc(C)c(Cl)c3)ccc12 2712167 KXISJIBAQOOCTB-UHFFFAOYSA-N 356.809 3.611 0 40 FHAB Cc1cccc(OCCC(=O)OCC(=O)Nc2cc(Cl)ccc2C)c1 3253870 PQJAZJXOCSEGEH-UHFFFAOYSA-N 361.825 3.908 0 40 FHAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2cc(C)ccc2C)C1=O 3465010 OHXIRCBGCALNNB-JOCHJYFZSA-N 364.445 3.734 0 40 FHAB Cc1nc2cc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)ccc2n1-c1ccccc1 4134939 OJQHCTGZCDSFSS-YQMDMEMYSA-N 369.424 3.645 0 40 FHAB Fc1ccc(CSc2ncnc3c2nnn3Cc2ccc(F)cc2)cc1 4166465 LTXDABGLJRNQDN-UHFFFAOYSA-N 369.400 3.840 0 40 FHAB CNC(=O)c1c(NC(=O)c2nc3ccccc3s2)sc2c1CCCC2 4326424 BQLRHSCBPFFJRT-UHFFFAOYSA-N 371.487 3.849 0 40 FHAB COc1ccc(-c2c(C)c3ccc(OC(C)=O)cc3oc2=O)cc1OC 4340403 OCMJSUZGYHKUJS-UHFFFAOYSA-N 354.358 3.711 0 40 FHAB biogenic O=C(O)C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 4601607 VBNARKKLDZAPGL-OAHLLOKOSA-N 352.217 3.868 0 40 FHAB CCCCN1C(=O)[C@](O)(CC(=O)c2ccccc2Cl)c2ccccc21 4784424 XQYDKCHMOOMSRV-FQEVSTJZSA-N 357.837 3.947 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccc(Cl)cc1 5077244 GMXHCDCOIATRJK-UHFFFAOYSA-N 363.797 3.501 0 40 FHAB CC(=O)Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@H](c1ccccc1)N2 5149686 JBUSEZCASRHPEY-IAGOWNOFSA-N 351.385 3.522 0 40 FHAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(Br)c1 5439818 AUJXTBMUOUTHMS-UHFFFAOYSA-N 359.223 3.828 0 40 FHAB O=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)cc1 5871805 MSAGOPLHJNXAGE-UHFFFAOYSA-N 368.614 3.933 0 40 FHAB Cc1ccccc1C(=O)N1CCC(C(=O)N2CCCc3ccccc32)CC1 6561740 LMYBMWHRIDOBOM-UHFFFAOYSA-N 362.473 3.827 0 40 FHAB CCCN1C(=O)c2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1cccc(O)c1 6747865 BVUVLUHOYOLJQR-IBGZPJMESA-N 351.381 3.877 0 40 FHAB O=C(CCCc1c[nH]c2ccccc12)N1CCN(c2ccccc2F)CC1 6923472 HERHBMFTUADBKO-UHFFFAOYSA-N 365.452 3.979 0 40 FHAB CSCc1nc2sc(C(=O)NC3CCCCCC3)c(C)c2c(=O)[nH]1 6953227 MGLVWMWPIWSZTL-UHFFFAOYSA-N 365.524 3.609 0 40 FHAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(Br)cc2)cc1 7305771 CNXBQLINSSKHHB-LBPRGKRZSA-N 354.269 3.797 0 40 FHAB CCCc1nnc(S/C(=C/c2ccc(OC)c(Cl)c2)C(=O)O)[nH]1 7342372 NUGLGMXFKZQYPN-XYOKQWHBSA-N 353.831 3.637 0 40 FHAB O=C1CCc2cc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)ccc2N1 7417269 WDMSYXZEYIVUAV-UHFFFAOYSA-N 371.245 3.679 0 40 FHAB CCOC(=O)Nc1cccc(OS(=O)(=O)c2ccc(Cl)s2)c1 7814605 QKXSITWECBWAGU-UHFFFAOYSA-N 361.828 3.738 0 40 FHAB COc1ccc(-c2csc(C)n2)cc1CC(=O)NCCc1ccco1 8326314 JKAPPDQGTJAUTE-UHFFFAOYSA-N 356.447 3.622 0 40 FHAB COc1ccc2cc(Cn3c(=O)cnc4ccccc43)c(Cl)nc2c1 9451751 FWPZLIWMVGQWGD-UHFFFAOYSA-N 351.793 3.655 0 40 FHAB CS(=O)(=O)c1ccc(-c2nnc(SC/C=C/c3ccccc3)o2)cc1 9764093 CATOJARCRCOLAA-VMPITWQZSA-N 372.471 3.946 0 40 FHAB CCCN(CCC)C(=O)Cc1csc(NC(=O)Nc2ccccc2)n1 9784561 SNPGVBNGQOEOTM-UHFFFAOYSA-N 360.483 3.978 0 40 FHAB CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1cccc(Cl)c1)c1cccs1 10081421 YBTHMCZNTNBRDT-NHYWBVRUSA-N 350.871 3.846 0 40 FHAB CC(C)NC(=O)NC(=O)[C@@H](C)Sc1ncc(-c2ccc(Cl)cc2)o1 11300666 LPDOMBLFWYTKPP-SNVBAGLBSA-N 367.858 3.710 0 40 FHAB C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1ncccn1 11364532 GZWMREFRTQCVOP-ZETCQYMHSA-N 362.764 3.663 0 40 FHAB O=S1(=O)CC[C@H](NCc2ccc(-c3cc(Cl)ccc3Cl)o2)C1 11914599 OORHSRIKLFKUHP-NSHDSACASA-N 360.262 3.530 0 40 FHAB COc1cc(OC)c(C2=CCN(C(=O)CC3CCCC3)CC2)c(OC)c1 11918558 UYJCLNKNMPOQSO-UHFFFAOYSA-N 359.466 3.908 0 40 FHAB Cc1cnccc1-c1cnc(NCCn2nccc2C)nc1-c1ccco1 12144379 YXEREKSNGJGHHN-UHFFFAOYSA-N 360.421 3.724 0 40 FHAB COc1ccccc1CN(Cc1ccc(NC(C)=O)cc1)C[C@H]1CCCO1 12187561 NRGWFUMYWKMQCA-OAQYLSRUSA-N 368.477 3.835 0 40 FHAB c1cc(-c2ccc(-c3noc(CN4C[C@H]5CCCC[C@@H]5C4)n3)cc2)ncn1 12337232 NKSLZXCUSANDCP-QZTJIDSGSA-N 361.449 3.816 0 40 FHAB O=C(c1n[nH]c2ccccc12)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 12520664 GXUUKUZHBCXVHP-KRWDZBQOSA-N 363.417 3.702 0 40 FHAB COC(=O)c1ccc(NC(=O)CCCOc2ccc(C(C)=O)cc2)c(C)c1 12731444 DWKUPUYNFBPYSG-UHFFFAOYSA-N 369.417 3.782 0 40 FHAB Cc1nc(CCNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cs1 12740928 RMQBRUXBEUEKQE-UHFFFAOYSA-N 365.458 3.676 0 40 FHAB COc1cccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 12977864 HTSFGFKKZFZESR-ZHACJKMWSA-N 364.445 3.586 0 40 FHAB CCN(CC)[C@H](CNC(=O)[C@@H]1Cc2ccccc2S1)c1ccccc1 13011230 CSNPDIOFWORERT-QUCCMNQESA-N 354.519 3.903 0 40 FHAB Brc1cccc([C@@H]2C[C@@H](c3ccccc3)n3nnnc3N2)c1 13123718 BIFUUINQYFIGMS-GJZGRUSLSA-N 356.227 3.582 0 40 FHAB Cc1cccc(C(=O)Nc2ccccc2C(=O)OCc2cc(C)no2)c1 14201786 CQBCCYUIYORHRK-UHFFFAOYSA-N 350.374 3.901 0 40 FHAB NC(=O)N[C@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 14207256 DTCFSVNJHRSOSO-CQSZACIVSA-N 352.221 3.732 0 40 FHAB CSc1ncccc1C(=O)Nc1ccccc1I 14429703 RZLRIASOGONBGU-UHFFFAOYSA-N 370.215 3.660 0 40 FHAB O=S(=O)(NCc1ccc(Cl)cc1)c1ccccc1Br 16088980 SHSRKUXZSLFPRX-UHFFFAOYSA-N 360.660 3.581 0 40 FHAB COc1ccc(OCCNC(=O)c2cccnc2Oc2ccccc2)cc1 16106258 DQVMOZFLEIYYED-UHFFFAOYSA-N 364.401 3.691 0 40 FHAB CN(CC(=O)Nc1ccc2c(c1)OCCCO2)[C@@H]1CCCc2ccccc21 16342728 ZXEAYQDTBIIKTN-LJQANCHMSA-N 366.461 3.796 0 40 FHAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccccc1F 17074194 LLHBTYTYHRWQAJ-UHFFFAOYSA-N 360.344 3.879 0 40 FHAB O=C(NC1=N[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccccc1)c1ccccc1 17074552 GZFWQNNKEHHSEK-MSOLQXFVSA-N 362.433 3.631 0 40 FHAB O=C(Cc1ccccc1F)N1CCC(c2nnc(-c3ccsc3)o2)CC1 19348080 DNESEXKICSXRKV-UHFFFAOYSA-N 371.437 3.886 0 40 FHAB C[C@H]1CN(c2ncc(-c3ccncc3)c(-c3cccs3)n2)C[C@@H](C)O1 19497624 KQTKSGSIQHTIKL-OKILXGFUSA-N 352.463 3.881 0 40 FHAB CCCC[C@@H](c1nnnn1C1CCCC1)N1CCN(C2CCCC2)CC1 19502110 ITNCOWHNEVHXOF-IBGZPJMESA-N 360.550 3.580 0 40 FHAB Clc1cccc(OCCc2cc([C@@H]3CCCN3c3cnccn3)n[nH]2)c1 19703695 IBELEJNFZSDQPL-SFHVURJKSA-N 369.856 3.816 0 40 FHAB Cc1[nH]c2c(Cl)cccc2c(=O)c1CN1CCN(c2ccccc2)CC1 19793681 PCMDYBVXKLDQJE-UHFFFAOYSA-N 367.880 3.812 0 40 FHAB COc1ccc(Cc2nn3c(Cc4ccccc4F)nnc3s2)cc1 19910049 DYBWESNOGZKOKI-UHFFFAOYSA-N 354.410 3.515 0 40 FHAB Cc1cccc(C)c1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 20492040 KDPSMALKONNYLJ-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB Cc1cc(C(=O)COC(=O)c2cncn2-c2ccccc2)c(C)n1C1CC1 21433732 UPOHODMHLGUZJJ-UHFFFAOYSA-N 363.417 3.665 0 40 FHAB Cc1cc(C)c(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)c(C)c1 21596197 DOQWLHPPXDOGTP-UHFFFAOYSA-N 356.447 3.510 0 40 FHAB Cc1nc2cc(NC(=O)c3ccccc3OC[C@H]3CCCO3)ccc2o1 22460299 PGUVJTLKXBTCOK-OAHLLOKOSA-N 352.390 3.946 0 40 FHAB O=C(Nc1ccccc1F)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 22990718 MZRGPCXCXYHKBM-SFHVURJKSA-N 364.376 3.625 0 40 FHAB CC(C)c1ccc(NC(=O)C(=O)NCC2CCN(C3CCCC3)CC2)cc1 23127414 QUGWKYPKCSJUQS-UHFFFAOYSA-N 371.525 3.519 0 40 FHAB O=C(Nc1ccccc1C(=O)N[C@H]1CCOc2ccccc21)c1ccco1 23646865 RSTTVQCGTZNLPX-KRWDZBQOSA-N 362.385 3.786 0 40 FHAB Cn1ccnc1[C@H](NC(=O)c1cc2c(s1)CCC2)c1ccccc1F 24440694 MECJTVUOZROJPG-QGZVFWFLSA-N 355.438 3.629 0 40 FHAB O=C(NCCc1cccc(Cl)c1)NCc1cccc(NC(=O)C2CC2)c1 24968579 AJWXOVGJKBGGES-UHFFFAOYSA-N 371.868 3.730 0 40 FHAB CCOc1ccccc1/C=C/C(=O)OCC(=O)Nc1cccc(C)c1C 25209031 JBUBCGHCIPDBKQ-OUKQBFOZSA-N 353.418 3.897 0 40 FHAB COc1ccccc1NC(=O)CSCC(=O)Nc1cc(C)ccc1C 28183499 DAWKKWWKGGZJOJ-UHFFFAOYSA-N 358.463 3.622 0 40 FHAB Cc1noc2ncc(C(=O)N[C@@H](C)c3cccc(Br)c3)cc12 30464381 VPLWUTOFZBAYNY-VIFPVBQESA-N 360.211 3.785 0 40 FHAB CN(Cc1cccc(NC(=O)Cc2ccccc2F)c1)C(=O)C(F)(F)F 31373951 YLTGDLXEVGWVJN-UHFFFAOYSA-N 368.330 3.528 0 40 FHAB Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c1 32125185 ZEMSVYFDUWBQQO-UHFFFAOYSA-N 372.490 3.750 0 40 FHAB C[C@@H](NC(=O)CN(C)c1ccc(Cl)nn1)c1cccc2ccccc12 32794768 JKFRCIWASHOEQN-CYBMUJFWSA-N 354.841 3.597 0 40 FHAB CN(C)Cc1nc(COC(=O)/C=C/c2ccc(F)c(Cl)c2)cs1 32818882 DGGFDNCDMZHHQL-GQCTYLIASA-N 354.834 3.754 0 40 FHAB Cc1cccn2c(=O)cc(COc3cccc(NC(=O)CC(C)C)c3)nc12 33268568 DYEHHIBTZBQRHK-UHFFFAOYSA-N 365.433 3.567 0 40 FHAB COc1ccccc1-c1nnc(C2CCN(C(=O)c3ccco3)CC2)s1 35596998 YGTYBQWMSUJKKY-UHFFFAOYSA-N 369.446 3.827 0 40 FHAB COc1cc(OC)c2[nH]c(C(=O)Nc3ccc(N(C)C)cc3C)cc2c1 40111605 PKQDWQHMNCHOTD-UHFFFAOYSA-N 353.422 3.812 0 40 FHAB CC(C)(CNC(=O)c1cccnc1S)c1ccc(Br)cc1 40113404 VABBBWWYFGSMDX-UHFFFAOYSA-N 365.296 3.840 0 40 FHAB O=C(NCCc1ccccn1)Nc1ccc(Br)cc1Cl 43420532 PAOFREXRWBPYRZ-UHFFFAOYSA-N 354.635 3.862 0 40 FHAB COc1ccc(OC)c(CCC(=O)Nc2cccc(-c3cnco3)c2)c1 48204521 ZTGCDLZSHFFQQU-UHFFFAOYSA-N 352.390 3.930 0 40 FHAB O=C(OCc1nc(-c2ccc(Br)cc2)no1)c1cccs1 51315166 FPCXOMWFTGNFLO-UHFFFAOYSA-N 365.208 3.918 0 40 FHAB C=C(C(=O)NCC1(c2ccc(OC)c(OC)c2)CCCC1)c1ccco1 51330962 FKSXOMCAAAVBTE-UHFFFAOYSA-N 355.434 3.938 0 40 FHAB COc1ccc([C@@H](C)NC(=O)COC(=O)c2ccc(F)c(Cl)c2)cc1 51356890 LMZMRIQDQDBEMO-LLVKDONJSA-N 365.788 3.522 0 40 FHAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(C)CC2)c(Cl)c1 57775728 SYONUYOOOHKCMZ-LJQANCHMSA-N 357.885 3.576 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@@H](C)CC[C@H]1CCCO1 58217924 XWBXXOHZLXLKGN-SCLBCKFNSA-N 359.445 3.706 0 40 FHAB CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@H](c1ccccc1)N(C)C 58439994 YXGBSFRMGVEICS-KRWDZBQOSA-N 366.383 3.847 0 40 FHAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3)CC2=O)c1 59227281 BQLBRDWYVWUECP-ZDUSSCGKSA-N 373.250 3.749 0 40 FHAB Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCc1ccccn1 65306242 FZZVMRDBEWLHOG-UHFFFAOYSA-N 359.842 3.569 0 40 FHAB CC(=O)c1cccc(OCC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c1 68785356 LPIKIEIKZSBTGP-HXUWFJFHSA-N 365.433 3.658 0 40 FHAB Cc1cccc(-c2cccc([C@H]3CCCN(CC(=O)N4CCCC4)C3)n2)c1 72348767 RVIAGKIXRJTLAM-FQEVSTJZSA-N 363.505 3.859 0 40 FHAB CN(C)C(=O)CN1CCC[C@@H]1c1cccc(Cc2ccc(Cl)cc2)n1 72357960 KWGBVLZXDIUQFU-LJQANCHMSA-N 357.885 3.551 0 40 FHAB O=C(NCCc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)COCO2 76092481 CJJNGHGSARQFBN-UHFFFAOYSA-N 352.217 3.832 0 40 FHAB O=C(O)c1ccc(-c2ccc([C@H]3SCC(O)=Nc4[nH]ncc43)o2)cc1 79486715 KLAYPIQXCVDZCR-HNNXBMFYSA-N 355.375 3.792 0 40 FHAB COc1ccc2nc(C3CC3)cc(C(=O)NCc3cnc(C)s3)c2c1 89730119 XBBYKAGPJZXSRK-UHFFFAOYSA-N 353.447 3.816 0 40 FHAB CC(=O)c1ccc(CNc2nccc(Oc3ccc(F)cc3)n2)nc1C 95446197 KMEHZOUQSLDOLX-UHFFFAOYSA-N 352.369 3.926 0 40 FHAB COc1ccc(C(=O)CNC(=O)CC2(n3cccc3)CCCCC2)cc1 95477138 AFKCBPBVWQXLKK-UHFFFAOYSA-N 354.450 3.545 0 40 FHAB O=C(CSc1ccc(F)cc1)N(Cc1cnc2ccccn12)C1CC1 96097132 OJCGXTLMUJTKOG-UHFFFAOYSA-N 355.438 3.757 0 40 FHAB CCOc1ccc(-c2nc(CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cs2)cc1 102793414 SHZMBJQEJNVKOF-IRXDYDNUSA-N 368.458 3.660 0 40 FHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)C)ccc2Cl)cc1 107990344 MINRDLQATIFVIF-UHFFFAOYSA-N 366.870 3.587 0 40 FHAB CCC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1 217506304 MEQDOEZGDNZSPQ-ZDUSSCGKSA-N 362.451 3.786 0 40 FHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1nc(-c2ccccc2)no1 219598314 LJWHBFNMGQRBID-QGZVFWFLSA-N 351.406 3.519 0 40 FHAB CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1O 222576493 OIWNYCZLOPZXEH-JBBXEZCESA-N 355.463 3.775 0 40 FHAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C 223200444 SKHRTWJBAJKPDH-FQEVSTJZSA-N 370.468 3.558 0 40 FHAB CCOc1ccc(CCC(=O)NCCOc2ccccc2)cc1OCC 224393623 ZKHCKTDUDUFYNN-UHFFFAOYSA-N 357.450 3.612 0 40 FHAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccco2)c1 224661150 MUQOPUVIPOGTNQ-PDGQHHTCSA-N 366.442 3.737 0 40 FHAB Cc1ccc(C(=O)N(C)c2ccccc2)c(I)c1 225026333 MRETWUCAZKMLGY-UHFFFAOYSA-N 351.187 3.876 0 40 FHAB CCn1c(=O)sc2cc(NC(=O)COc3cc(C)ccc3C)ccc21 225102056 CKNZXVAZGYUAQA-UHFFFAOYSA-N 356.447 3.717 0 40 FHAB Cc1nccc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3)o2)n1 257221083 DNKGWSRWVUSJMS-LJQANCHMSA-N 362.433 3.731 0 40 FHAB O=C(CN1CCCCC1)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257272378 NCELMLPSVYZKQZ-LJQANCHMSA-N 371.456 3.554 0 40 FHAB CS(=O)(=O)N(CCCC(=O)Nc1cccc(Cl)c1)c1ccccc1 408627745 PHTLQGCNPMTQSW-UHFFFAOYSA-N 366.870 3.525 0 40 FHAB CCCCNC(=O)C(=O)c1c(-c2ccc(OC)cc2)cc2ccccn12 408675295 HGRIKXUGMHARDK-UHFFFAOYSA-N 350.418 3.714 0 40 FHAB CCc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 408708139 OKDIVAIMMGQSJM-IBGZPJMESA-N 350.462 3.535 0 40 FHAB CCOC(=O)COc1ccc(/C=C2\C(=O)N(CC)c3ccccc32)cc1 409111125 BBVIHKNGZPBNNW-AQTBWJFISA-N 351.402 3.536 0 40 FHAB COc1cc(/C=C\C(N)=O)ccc1OCc1cccc(Br)c1 409416189 CVNXWFQNAPAYKV-VURMDHGXSA-N 362.223 3.535 0 40 FHAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)o1)c1cc(-c2ccco2)on1 575610035 IYAPNDUWAYVHTR-ZDUSSCGKSA-N 370.386 3.720 0 40 FHAB Cc1nccn1-c1ccc([C@H](C)Nc2cnn([C@@H]3CCOC3)c2C)cc1 579795360 HUYLGOMUUFUJMG-IFXJQAMLSA-N 351.454 3.820 0 40 FHAB O=C(O)[C@H](c1ccccc1C(F)(F)F)N1CC[C@@H](c2cccnc2)C1 583818343 XROIIRLKYMNEED-CJNGLKHVSA-N 350.340 3.716 0 40 FHAB C[C@H]1CCCN(C(=O)c2nc3c(o2)CCN([C@@H](C)c2ccccc2)C3)C1 585112912 WQGBQQBKQGBLIA-HOTGVXAUSA-N 353.466 3.666 0 40 FHAB C[C@H]1CN(c2ccnc(Cc3ccc(F)cc3)n2)CCN(C2CCC2)C1 621318899 HBUOHKFTJZSKQK-MRXNPFEDSA-N 354.473 3.517 0 40 FHAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC12CCCC2)c1ccccc1 652583685 LTLSADWNXVFUAT-FQEVSTJZSA-N 362.473 3.573 0 40 FHAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCC12CCCC2)c1ccccc1 652583686 LTLSADWNXVFUAT-HXUWFJFHSA-N 362.473 3.573 0 40 FHAB Cc1csc(N2CC[C@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@H]32)n1 1889095537 VSHMGSFYPVAYNM-WCQYABFASA-N 354.401 3.580 0 40 FHAB CCN(C(=O)OC(C)(C)C)[C@H]1CCO[C@@H](c2ccnc(-c3cn[nH]c3)c2)C1 2037845992 JRZNFBAJOOMTEM-FUHWJXTLSA-N 372.469 3.949 0 40 FHAB CN1CCN(C(=O)c2ccc(COc3cc(Cl)ccc3Cl)o2)CC1 800745 RMZVLXQPQCGFDK-UHFFFAOYSA-N 369.248 3.553 0 40 FHAB CO[P@@]1(=O)Oc2ccccc2C(=O)C(C(F)(F)F)(C(F)(F)F)O1 1633665 RARJHOZZASATBD-QHCPKHFHSA-N 364.134 3.896 0 40 FHAB COc1ccccc1NC(=O)c1cccn(Cc2ccccc2Cl)c1=O 1397115 NOGMWVHANBOOBT-UHFFFAOYSA-N 368.820 3.811 0 40 FHAB CN(C)[C@H](CNC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccccc1 25421999 XDRQLLLLMFXKOG-OAQYLSRUSA-N 364.489 3.557 0 40 FHAB O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2SC(F)F)c1 12521184 YKKFNJUHVQCEQI-UHFFFAOYSA-N 359.375 3.500 0 40 FHAB OC1CCN(Cc2csc(-c3cccc(Br)c3)n2)CC1 25920288 GNLQKUKQSIFPBV-UHFFFAOYSA-N 353.285 3.529 0 40 FHAB CCC[C@H](C)NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 6947037 DFQICYUYWHXTEO-INIZCTEOSA-N 374.506 3.739 0 40 FHAB CCc1ccccc1NC(=S)N1CCN(c2ccccc2OC)CC1 7350463 HBPUHARPKZYIPL-UHFFFAOYSA-N 355.507 3.777 0 40 FHAB O=C(COc1ccccc1F)NCc1ccc(CN2CCCCC2)cc1 7447881 WGJMBDMEXDPBRK-UHFFFAOYSA-N 356.441 3.507 0 40 FHAB C[C@@H]1CCCCN1C(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1 57486616 PJBSGSKFWIFUQF-CQSZACIVSA-N 368.412 3.745 0 40 FHAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CNC(=O)c1ccsc1 57559395 GVDIMONJADPDEY-ROUUACIJSA-N 356.491 3.663 0 40 FHAB CC(C)c1nc(CC(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)cs1 58183102 SZJSHUNUBYJPRX-UHFFFAOYSA-N 365.886 3.803 0 40 FHAB CC[C@@H](C(=O)N1CCC(NC(=O)CC2CCCC2)CC1)c1ccccc1 58208750 JHDZMAVNWFCVNK-HXUWFJFHSA-N 356.510 3.868 0 40 FHAB Cc1c(C(=O)N[C@@H](C)c2nc(-c3ccccc3)c[nH]2)[nH]c2c1C(=O)CCC2 58280985 KQCDPQIGYMDRRL-ZDUSSCGKSA-N 362.433 3.723 0 40 FHAB O=c1[nH]c(O)nc2c1[C@H](c1ccc(Cl)cc1)C=C(c1ccccc1)O2 2291306 IUFYTFQVTXJEFE-AWEZNQCLSA-N 352.777 3.694 0 40 FHAB O=C(COC(=O)CCN1c2ccccc2Sc2ccccc21)NC1CC1 3247851 UCQCFHFOTJOUJW-UHFFFAOYSA-N 368.458 3.501 0 40 FHAB COC(=O)[C@]1(C)[C@H]2[C@H]3CCC[C@@H]3[C@H]3[C@@H]2[C@@H]2[C@H]4[C@H]5[C@@H](CC[C@@]5(C)C(=O)[C@@]34C)[C@H]21 104294809 UUGXCKXVYHJQAL-NHOOBVASSA-N 368.517 3.955 0 40 FHAB Cc1ccc(CNC(=O)c2ccc(NC(=O)c3cccs3)cc2)n1C 23575239 HCAWDLMJFBGWIN-UHFFFAOYSA-N 353.447 3.577 0 40 FHAB CCCc1cc(=O)[nH]c(SCc2noc(-c3ccc(Cl)cc3)n2)n1 29320578 UOOYJZNZXCSHET-UHFFFAOYSA-N 362.842 3.718 0 40 FHAB COC(=O)c1cnn2c1N[C@@H](c1ccc(Cl)cc1)C[C@H]2C(F)(F)F 2781060 NSLNNVKGBGTXHE-NEPJUHHUSA-N 359.735 3.983 0 40 FHAB c1ccc(CN2CCCN(c3nc(-c4ccccc4)ns3)CC2)cc1 95401989 MCZCHGFEFABWJG-UHFFFAOYSA-N 350.491 3.917 0 40 FHAB CCc1cccc(C)c1NC(=O)COC(=O)c1[nH]c(C)c(C(C)=O)c1C 3332206 LSTKBXJJQSURDC-UHFFFAOYSA-N 356.422 3.500 0 40 FHAB CCCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(OC)cc1)C3 20671661 CVRONOILALLKEO-CYBMUJFWSA-N 368.462 3.548 0 40 FHAB CCCC[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1ccccc1 95483656 MVNVHGOJCFGFJL-QYZOEREBSA-N 368.408 3.694 0 40 FHAB COc1cc(CC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc(OC)c1OC 48313509 PTFIAOCSYXGUJD-KRWDZBQOSA-N 373.424 3.758 0 40 FHAB Cc1ccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1Cl 10361906 QJSKHJGMAZSZKC-UHFFFAOYSA-N 352.843 3.581 0 40 FHAB CCCCOC(=O)c1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1 10407615 WFXQGJHDVWTOMQ-UHFFFAOYSA-N 369.417 3.944 0 40 FHAB CCCCNc1nc2ccccc2n1CC(=O)N1CCc2ccccc2C1 3412247 UWJZRTBNCXDJLS-UHFFFAOYSA-N 362.477 3.833 0 40 FHAB COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)c1 3514776 HGNXMZVDRZBYFZ-UHFFFAOYSA-N 371.433 3.797 0 40 FHAB CSCc1ccc(C(=O)NCCc2ccc(-n3cccn3)cc2)cc1 12907787 PZVQEJANQGVIJH-UHFFFAOYSA-N 351.475 3.708 0 40 FHAB Cc1cc(OCC(=O)Nc2ccccc2N2CCCC2=O)ccc1Cl 13002503 DWZZTECHWWPXIO-UHFFFAOYSA-N 358.825 3.793 0 40 FHAB CCN(CC)[C@H](CNC(=O)[C@H]1Cc2ccccc2S1)c1ccccc1 13011233 CSNPDIOFWORERT-UYAOXDASSA-N 354.519 3.903 0 40 FHAB CCOC(=O)c1c(NC(=O)CC2(C(=O)O)CCCCC2)sc(C)c1C 13251072 HQAAHEUQGZJGAN-UHFFFAOYSA-N 367.467 3.905 0 40 FHAB COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)C(C)(C)C)cc1 9210721 NFXVMVUQEREVRD-UHFFFAOYSA-N 364.445 3.978 0 40 FHAB C[C@]12C(=O)N(c3ccc(F)cc3F)C(=O)N1CCc1c2[nH]c2ccccc12 4073829 HGMBPCOPBVVISV-FQEVSTJZSA-N 367.355 3.686 0 40 FHAB biogenic CCn1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c2ccccc21 13510826 HTVCOKVXTNMRHQ-WQRHYEAKSA-N 363.392 3.893 0 40 FHAB COc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C(C)C)cc1 13768784 ZQINEZJRPYBJFY-UHFFFAOYSA-N 364.445 3.896 0 40 FHAB O=C(NC1CCC(O)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 49909193 OYIGCYAXRSPTCV-UHFFFAOYSA-N 355.278 3.758 0 40 FHAB CCCc1nc(C(C)(C)NC(=O)c2sc(C(C)(C)C)nc2C)no1 65404216 SIFQNQORIXXZBS-UHFFFAOYSA-N 350.488 3.750 0 40 FHAB Cc1c(OCC(=O)N2CCCC2)ccc2c(-c3ccccc3)cc(=O)oc12 14185131 XJCHVKVXDYMNPJ-UHFFFAOYSA-N 363.413 3.770 0 40 FHAB CCCc1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1 5597713 NHQOLFHLZAMEMC-UHFFFAOYSA-N 372.534 3.582 0 40 FHAB COc1ccc(Cl)cc1C(=O)N(C)Cc1nnc(-c2ccccc2)o1 408714050 HJPDCJSAEOJDNG-UHFFFAOYSA-N 357.797 3.671 0 40 FHAB CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(O)cc1 5613243 LQECKWOFBVOWTP-KRWDZBQOSA-N 359.223 3.852 0 40 FHAB COc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccco3)C2)c(OC)c1 95945313 JKVAYQTXTLDGRM-MRXNPFEDSA-N 366.373 3.881 0 40 FHAB C[C@@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C)c1ccccc1 4947277 VCMRZBCDWYVPFR-CYBMUJFWSA-N 370.453 3.591 0 40 FHAB O=C1CCCC(=O)C12Cc1cc(C(F)(F)F)ccc1N1CCCC[C@H]12 4914246 XWDYJLPFKBRFFF-HNNXBMFYSA-N 351.368 3.929 0 40 FHAB O=C(CNC(=O)c1cccs1)NCc1ccc(-c2ccc(Cl)cc2)o1 7898941 ZLPZGJVHHUTUGU-UHFFFAOYSA-N 374.849 3.708 0 40 FHAB CC1CCN(CC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)CC1 8212397 DGTWBBMCFBEKSX-HXUWFJFHSA-N 350.462 3.885 0 40 FHAB COc1ccc([C@@H]2NC(=O)c3c(sc4c3CC[C@@H](C)C4)N2)cc1OC 17083551 IWSKSOYUKYKOHA-BMLIUANNSA-N 358.463 3.744 0 40 FHAB Nc1nc(CSc2nc3ccccc3[nH]2)nc(Nc2ccc(F)cc2)n1 8457855 KDVYSYWZYNLJJX-UHFFFAOYSA-N 367.413 3.505 0 40 FHAB COc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 8916010 WTUGQOVLIUKHMJ-CQSZACIVSA-N 367.405 3.768 0 40 FHAB COc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)C(C)C 9159056 UBILJQVMMKSYKG-UHFFFAOYSA-N 350.418 3.726 0 40 FHAB Cc1cc(OCC(=O)N[C@@H](c2ccccc2)c2nccn2C)ccc1Cl 9156605 KDAQSOSTZRUSAN-IBGZPJMESA-N 369.852 3.667 0 40 FHAB CCN(CC)CCCNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 72414634 KRMAINHNNKRCSK-UHFFFAOYSA-N 373.733 3.657 0 40 FHAB COC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3Cl)nn2C)cc1 72403226 CGLBFVWUKKWVLS-UHFFFAOYSA-N 369.808 3.779 0 40 FHAB CC(C)n1ncc2c(C(=O)NC3=NCCS3)cc(-c3cccs3)nc21 9954517 BHGCRCDSPZVNKD-UHFFFAOYSA-N 371.491 3.573 0 40 FHAB O=C(CCn1ccc2ccccc21)NC[C@@H](c1ccccc1)N1CCCC1 23741797 SRMFYDKMFOYLIV-QFIPXVFZSA-N 361.489 3.985 0 40 FHAB CC(C)C[C@@H](NC(=O)c1ccccc1NS(C)(=O)=O)c1ccccc1 216243601 QBRCKIRPLUNOAG-GOSISDBHSA-N 360.479 3.575 0 40 FHAB COc1ccc(-c2cc(-c3nn4c(C(C)C)nnc4s3)no2)cc1OC 32092109 KRUNWISAHGNYOP-UHFFFAOYSA-N 371.422 3.648 0 40 FHAB Cc1ccc(Nc2nccc([C@H]3CCCN(C(=O)C4CCCC4)C3)n2)nc1 72377953 LCCPQDJVYFAOGD-KRWDZBQOSA-N 365.481 3.820 0 40 FHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1ccccc1 219490516 RCJCGRVCKJNKCN-KBXCAEBGSA-N 355.434 3.881 0 40 FHAB Cc1ccc(NC(=O)CSc2nccc(N3CCCC3)n2)c(Cl)c1 49399644 IJDQWQSEKOBTKX-UHFFFAOYSA-N 362.886 3.769 0 40 FHAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2Br)cc1C 225705274 RUQJOAKBMVSCDA-UHFFFAOYSA-N 370.268 3.875 0 40 FHAB Cc1ccc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)s1 40087480 WFCSZMVUIYCNAC-HUUCEWRRSA-N 358.507 3.596 0 40 FHAB Cc1ccccc1-c1noc(CCC(=O)NCc2ccc(F)cc2F)n1 44842165 RJQCGQKHQDIJGK-UHFFFAOYSA-N 357.360 3.572 0 40 FHAB O=C(COc1ccccc1F)Nc1ccccc1C(=O)NC1CCCCC1 222774648 LWCKCHNDLHWWAR-UHFFFAOYSA-N 370.424 3.906 0 40 FHAB O=C(Cc1c(Cl)cccc1Cl)Nc1ncn(Cc2ccccc2)n1 48308812 UDSXUBOOMJLMPX-UHFFFAOYSA-N 361.232 3.814 0 40 FHAB Cc1ccc(NC(=O)NCc2nccc(N3CCCCC3)n2)cc1Cl 224162493 FWTJILOJRJFWLH-UHFFFAOYSA-N 359.861 3.750 0 40 FHAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)o1 223521128 JOSAHXPDEJZTME-MSOLQXFVSA-N 350.447 3.551 0 40 FHAB COc1cccc([C@H]2CN([C@@H](C(=O)O)c3cccc(Cl)c3)CCO2)c1 577380691 HXNARWQRBAJXHF-QZTJIDSGSA-N 361.825 3.548 0 40 FHAB Nc1ccc(N2CCCC2)c(NC(=O)c2ccc(Br)cc2)c1 146863636 OHSBOCSVWRZEQP-UHFFFAOYSA-N 360.255 3.884 0 40 FHAB CCCCN(C)C(=O)[C@H]1c2c(ncn2C(C)C)CCN1Cc1ccccc1 96037521 JKKGPLUMAPAOTF-OAQYLSRUSA-N 368.525 3.822 0 40 FHAB CCCc1nc(-n2cccc2)sc1C(=O)Nc1ccc2c(c1)OCO2 95475034 CDZFLAZPKAWJSA-UHFFFAOYSA-N 355.419 3.867 0 40 FHAB Cc1ccc(C(=O)N2CCc3c(CN4CCCC4)nn(C(C)C)c3C2)cc1 96255941 GJGFPZIQWNFRGM-UHFFFAOYSA-N 366.509 3.567 0 40 FHAB COC[C@H]1CCC2(CCN(C(=O)c3csc4ccccc34)CC2)N1C 96207884 RDGQFFZMGGWFCP-OAHLLOKOSA-N 358.507 3.617 0 40 FHAB O=C(c1ccccc1F)N1C[C@H]2CCC[C@@]2(COCc2ccccn2)C1 96208860 OGZIXISRCDPUPF-IERDGZPVSA-N 354.425 3.680 0 40 FHAB COc1ccc2c(c1)CCCCN2C(=O)Nc1cnn(C)c1C(F)F 683477062 SSUVFUMBWBUVJA-UHFFFAOYSA-N 350.369 3.741 0 40 FHAB O=C(O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)cc1Cl 78938563 DPCQSAFFVSNXGS-UHFFFAOYSA-N 364.181 3.632 0 40 FHAB C[C@H](NC(=O)CSc1nnc(-c2cccs2)[nH]1)[C@@H]1C[C@H]2CC[C@H]1C2 102277702 CZXZTPSOFLBYTN-CYDGBPFRSA-N 362.524 3.566 0 40 FHAB Cc1ccc(-c2ccsc2C(=O)OCC(=O)Nc2cc(C)nn2C)cc1 11018744 YJEMPIUOSYNQIY-UHFFFAOYSA-N 369.446 3.561 0 40 FHAB COc1ccc([C@@H]2[C@@H](NC(=O)Cn3nc(C)cc3C)[C@H]3CCCC[C@H]32)cc1 12366617 MVLVSLMBYDHULT-WAGURGNTSA-N 367.493 3.597 0 40 FHAB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=S)N[C@@H]1c1ccsc1 12554006 MQSUSMGTSGWMOE-MRXNPFEDSA-N 374.487 3.640 0 40 FHAB CCN1CCn2c(nc3cc(NC(=O)c4ccccc4Cl)ccc32)C1 13689475 HZUAYSCETIGOPQ-UHFFFAOYSA-N 354.841 3.778 0 40 FHAB C/C(=C\c1ccccc1)CN1CC[C@@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1 19014342 XKBHAUROYYDXAC-XEYRCQSKSA-N 372.472 3.725 0 40 FHAB Cc1ccc(C(=O)N2CCCC[C@H]2CCN2CCCC2)cc1-n1cccn1 19214751 BVFGXZZURKWEAL-FQEVSTJZSA-N 366.509 3.661 0 40 FHAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)CC)C1 19498418 VISFKEHSINOELX-OAQYLSRUSA-N 370.518 3.722 0 40 FHAB Cc1ncsc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1 19562253 YFNOFLXGRAKDFY-OAHLLOKOSA-N 356.426 3.584 0 40 FHAB CCC(=O)N1CCC([C@@H]2CCCCN(CCc3ccccc3)C2=O)CC1 19744963 AREUZQUDIXIYGW-FQEVSTJZSA-N 356.510 3.506 0 40 FHAB Cn1c(-c2ccc(NC(=O)C3(N)CC4(CCC4)C3)cc2)nc2ccccc21 659298384 WGLRIZCYNOYIHK-UHFFFAOYSA-N 360.461 3.840 0 40 FHAB Cc1noc(C)c1COc1ccc(C(=O)N[C@@H](C)c2ccncc2)cc1 5226971 IXUHILIIVWKFFD-ZDUSSCGKSA-N 351.406 3.756 0 40 FHAB CCc1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 5196041 GXSQCWWETYQTOP-INIZCTEOSA-N 357.841 3.829 0 40 FHAB Cc1ccc(NC(=O)Nc2nnc(SCCN3CCCC3)s2)cc1 5253151 PBPMAJBBCVMHAI-UHFFFAOYSA-N 363.512 3.678 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)OCc1cc(-c2ccc3c(c2)OCO3)on1 16838689 ALLLTOGEXCAFSA-CYBMUJFWSA-N 367.357 3.581 0 40 FHAB COc1ccc(-c2noc(-c3nnn(-c4ccc(Cl)cc4)c3C)n2)cc1 7615748 CZNSMLQZNLRZNG-UHFFFAOYSA-N 367.796 3.955 0 40 FHAB O=C(Cc1noc2ccccc12)Nc1c2c(nn1-c1ccccc1)CCC2 40023520 HLZTXBXLQLAACP-UHFFFAOYSA-N 358.401 3.683 0 40 FHAB CC1CCN(c2ncc(CN3CCN(c4ccccc4)CC3)s2)CC1 20405405 YPGLZZWVNNQKFT-UHFFFAOYSA-N 356.539 3.702 0 40 FHAB O=C(Nc1ccccc1O)[C@H](c1ccccc1)N1Cc2ccccc2C1=O 20737330 RBEFZFWBHNDJCL-FQEVSTJZSA-N 358.397 3.728 0 40 FHAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CCc1nc(-c2cccnc2)no1 32824735 GWGDUPJNAVNVET-LBPRGKRZSA-N 372.375 3.562 0 40 FHAB O=C(CNC(=O)Nc1ccccc1)NCC(c1ccccc1)c1ccccc1 32863614 JYHFKWZSZJYALP-UHFFFAOYSA-N 373.456 3.756 0 40 FHAB COc1ccc(CC(=O)N(CC(=O)Nc2ccccc2)c2ccccc2)cc1 32876354 XZWKLLLOOOGQMJ-UHFFFAOYSA-N 374.440 3.910 0 40 FHAB C[C@@H]1c2cccn2CCN1CC(=O)N[C@H](c1ccccc1)c1cccs1 102537377 BRFFVOUIJCKQQV-IIBYNOLFSA-N 365.502 3.832 0 40 FHAB C[C@@H](NC(=O)NCc1cccc(Cn2cncn2)c1)c1ccccc1Cl 43182192 LWSUDRUSTCBYFJ-CQSZACIVSA-N 369.856 3.540 0 40 FHAB Cc1c(NC(=O)/C=C/c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 1254815 UMKZDCLBSUSUHT-JLHYYAGUSA-N 367.836 3.790 0 40 FHAB O=C(NCc1cccs1)[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1 1379828 WVSOKCAQOAEJAL-HNNXBMFYSA-N 363.870 3.714 0 40 FHAB COC(=O)[C@]1(Cc2ccc3c(c2)CCC3)Cc2ccc3c(c2[C@H]1O)CCC3 1646169 OWCFGVVLNAWNMG-ISKFKSNPSA-N 362.469 3.656 0 40 FHAB Cc1oc2c3c(ccc2c(=O)c1-c1ccc2c(c1)OCCO2)OCCCO3 2097805 IHISQUZYDQEYIC-UHFFFAOYSA-N 366.369 3.701 0 40 FHAB biogenic CCCN(CCC)C(=O)CSc1nnc(C)n1-c1ccc(CC)cc1 6629477 BLJVZKYXWNHTAK-UHFFFAOYSA-N 360.527 3.879 0 40 FHAB Cc1cc(CN(C)C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)no1 57662830 AMBPYAOTAPNBRR-INIZCTEOSA-N 365.380 3.803 0 40 FHAB COC(=O)[C@@]12CC[C@@](C)([C@H](OC(=O)C(Cl)(Cl)Cl)C1)C2(C)C 101320058 JRRZNKPUTSDMIK-OXHMUOHRSA-N 357.661 3.658 0 40 FHAB O=C(c1ccccc1F)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 58079206 PDXVUQVBCZXZQX-UHFFFAOYSA-N 367.346 3.592 0 40 FHAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(-n2ccnc2)cc1 20112101 LOQWWHKYQFPLMP-AWEZNQCLSA-N 355.825 3.609 0 40 FHAB O=C(COC(=O)c1cccnc1Cl)Nc1ccc(N2CCCCC2)cc1 3247800 PUMRNIFVGHGZBQ-UHFFFAOYSA-N 373.840 3.521 0 40 FHAB CCCOc1ccc(C(=O)N(C)Cc2nc(-c3cccs3)no2)cc1 28189009 YEIGNLNJJOXUKF-UHFFFAOYSA-N 357.435 3.859 0 40 FHAB CC(C)Cn1c(N)c(C(=O)NCc2ccccc2)c2nc3ccccc3nc21 2291445 PGMPSLOCDDVLGN-UHFFFAOYSA-N 373.460 3.753 0 40 FHAB COC(=O)[C@H](C)OC(=O)c1cc2sc(Nc3ccccc3)nc2s1 10712122 GLEWXZHHSSNIOB-VIFPVBQESA-N 362.432 3.820 0 40 FHAB Cc1ccccc1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 100489179 OMHCSTNRUFTNPW-HZVDNRATSA-N 374.440 3.783 0 40 FHAB NC(=O)[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)c1ccc(F)cc1 11241817 FIEWAXIFBYQZFF-HNNXBMFYSA-N 368.393 3.676 0 40 FHAB CCCN(Cc1ccccc1)C(=O)COc1ccc2ccc(=O)oc2c1 45672446 JOWAVWHBFMHKFT-UHFFFAOYSA-N 351.402 3.611 0 40 FHAB O=C(Nc1ccc(-n2cc[nH]c2=O)cc1)c1cc2cc(Cl)ccc2o1 48296379 PXCJKXPUJRGKTA-UHFFFAOYSA-N 353.765 3.818 0 40 FHAB O=C1O[C@H]2[C@@H](O1)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 104260720 FWSCOSIFECICKP-GFKUXRSRSA-N 358.819 3.736 0 40 FHAB C[C@H]1CN(C(=O)c2cnc(-c3ccccn3)s2)c2ccc(F)cc2O1 173519848 SJLMZTWDWWDAPM-NSHDSACASA-N 355.394 3.772 0 40 FHAB CCc1ccc(NC(=O)C[C@@H](C(C)=O)C(=O)Nc2ccc(F)cc2)cc1 2655126 XLJKLLUOCGAESN-SFHVURJKSA-N 356.397 3.561 0 40 FHAB COc1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc(OC)c1 2626105 OITSGMYNMZSOTE-UHFFFAOYSA-N 362.234 3.811 0 40 FHAB COc1ccc(Cl)cc1NC(=O)c1nnn(-c2ccc(F)cc2)c1C 2705761 SIBIAJQQDPGSOC-UHFFFAOYSA-N 360.776 3.629 0 40 FHAB Cc1cccc(-c2nnc(S)n2CC(=O)NCc2cccc(Cl)c2)c1 12755344 KITXDOLIPPTGOO-UHFFFAOYSA-N 372.881 3.512 0 40 FHAB CCOc1ccccc1[C@H]1Nc2ccccc2C(=O)N1C[C@@H]1CCCO1 52806452 OSPPSHSARYAVOF-YWZLYKJASA-N 352.434 3.831 0 40 FHAB Cc1noc(C)c1COc1ccc(CC(=O)NCCc2ccccc2)cc1 3330145 CPHYVHPFHOOVBC-UHFFFAOYSA-N 364.445 3.772 0 40 FHAB O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)Nc1ccccc1F 3354224 JJTCARRXRMJMLR-UHFFFAOYSA-N 359.372 3.959 0 40 FHAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N(C)Cc2sccc2C)c1 51873570 ODXVEDXGAWLCLX-UHFFFAOYSA-N 372.519 3.945 0 40 FHAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1cc(C)ccc1C 3365845 PSCBVARNERWGTD-UHFFFAOYSA-N 374.462 3.736 0 40 FHAB COc1ccc(-c2csc(CCNc3nn4cc(C)nc4s3)n2)cc1 48312721 SOJTWVQUOXJGHH-UHFFFAOYSA-N 371.491 3.886 0 40 FHAB COc1ccc(C(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)cc1OC 28220610 SAISZPWGCLQPII-UHFFFAOYSA-N 371.824 3.854 0 40 FHAB O=C(CSc1cc(N2CCCC2)ncn1)Nc1ccc(Cl)cc1F 49006680 JIMJHFAPSJCHCV-UHFFFAOYSA-N 366.849 3.600 0 40 FHAB Cc1nc2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)ccc2s1 408978208 LGODFUWYTHUUJP-UHFFFAOYSA-N 353.447 3.694 0 40 FHAB O=C(Nc1cccc(Cl)c1)/C(=C\c1ccco1)NC(=O)c1ccco1 5023530 JPCRTRLGANMOBS-RVDMUPIBSA-N 356.765 3.936 0 40 FHAB CCOc1ccccc1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 6223700 NIESXNUAEBWDAN-UHFFFAOYSA-N 374.746 3.558 0 40 FHAB COc1ccc(C)cc1-n1ccc(C(=O)Nc2cccc3cnccc23)n1 65503380 ZLAMXYZFVJYPEB-UHFFFAOYSA-N 358.401 3.990 0 40 FHAB CC(=O)Nc1ccc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1 5347435 YUGDMOWPXZDPGZ-UHFFFAOYSA-N 356.765 3.657 0 40 FHAB Cc1ccc(NC(=O)c2nnn(Cc3ccc(F)cc3Cl)c2N)cc1C 4934072 PRFRKAAFWBYZTO-UHFFFAOYSA-N 373.819 3.570 0 40 FHAB O=C(CNc1cc(Cl)ccc1Oc1ccccc1)NC(=O)NC1CC1 14199557 GDYLUCJZQVWWLB-UHFFFAOYSA-N 359.813 3.532 0 40 FHAB CC1CCC(N(C)CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 14241988 BGKUQJSGDPVIJJ-KVZIAJEVSA-N 372.509 3.632 0 40 FHAB CCC[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1 14230273 UACSEOSCAUJUBO-QFIPXVFZSA-N 366.505 3.719 0 40 FHAB C[C@@H]1CCCC[C@@H]1NC1=NN=C(c2ccc3c(c2)OCCCO3)CS1 9417569 HFZOMEGIDCWBPE-HIFRSBDPSA-N 359.495 3.823 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cc(=O)c3ccc(C)cc3o2)cc1 6811256 FHHNYTAFBZJGCS-UHFFFAOYSA-N 351.358 3.530 0 40 FHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1cc(Cl)ccc1OC 7049886 BQHDGKDPCBFGOI-UHFFFAOYSA-N 357.841 3.607 0 40 FHAB O=C(CCNC(=O)c1ccco1)N[C@H](c1ccc(F)cc1)c1cccs1 9500930 SJFPSGUCAAFQNE-GOSISDBHSA-N 372.421 3.506 0 40 FHAB CCn1c([C@H](C)NC(=O)C2=NO[C@H](c3ccccc3)C2)nc2ccccc21 68174775 LYECLSAHZZOYKY-LIRRHRJNSA-N 362.433 3.751 0 40 FHAB CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 7912003 SVPJXOBJNGCQSD-UHFFFAOYSA-N 370.405 3.692 0 40 FHAB CCc1cc(NC[C@H]2CC(=O)Nc3ccccc32)nc(-c2ccncc2)n1 95963882 SNGLYZVYDFPYJA-OAHLLOKOSA-N 359.433 3.639 0 40 FHAB CC(=O)OCCCc1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1 97165052 CXMCYLLECVELEC-WYMLVPIESA-N 359.447 3.595 0 40 FHAB CCOc1cc(CNC[C@H]2COc3ccccc3O2)cc(Cl)c1OC 25261793 UZCQNXGLQDJENB-AWEZNQCLSA-N 363.841 3.677 0 40 FHAB Cc1nc(-n2cccc2)sc1C(=O)NCCn1ccc2ccccc21 72400886 HDVPEKAIYDWPOV-UHFFFAOYSA-N 350.447 3.627 0 40 FHAB CN(C)c1nn(CC(=O)NCc2ccccc2Cl)cc1-c1ccccc1 62006963 PEVFALAINQSXSJ-UHFFFAOYSA-N 368.868 3.586 0 40 FHAB Cc1cccc(-c2noc(CS(=O)(=O)c3cc(C)c(C)cc3C)n2)c1 23125832 OUJTWWTVMWLBOB-UHFFFAOYSA-N 356.447 3.944 0 40 FHAB O=C(CCCOc1ccccc1)NCC1(c2ccccc2)CCOCC1 73955726 HRJOCSAXQDJYCI-UHFFFAOYSA-N 353.462 3.710 0 40 FHAB CC[C@H](Oc1ccccc1F)C(=O)N(C)Cc1nc(-c2ccccc2)no1 78579815 LUUDHMBCYNEUHY-INIZCTEOSA-N 369.396 3.692 0 40 FHAB C[C@@H]1CN(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)[C@H](C)CO1 32801621 ISTMTRNLBWPCDX-NQNZFTEYSA-N 351.446 3.915 0 40 FHAB CC1(C)C[C@@]2(C[C@H](c3ccccc3)Oc3cc(O)ccc32)NC(=S)N1 8690936 LRBROLUCYAUOSF-YLJYHZDGSA-N 354.475 3.758 0 40 FHAB COCc1nnc(NC(=O)CCc2ccc(-c3ccc(C)cc3)o2)s1 33027664 VWZGQPNXOMABMK-UHFFFAOYSA-N 357.435 3.824 0 40 FHAB CC(C)CC(=O)N1CCCC[C@@H]1Cc1c(C(N)=O)sc2ccccc12 72370409 ZNVMYZFHMCSTDV-CQSZACIVSA-N 358.507 3.970 0 40 FHAB CN(C(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)C1CCCC1 216273393 ZLBWZSKFPCYAQO-UHFFFAOYSA-N 372.490 3.526 0 40 FHAB CC(=O)c1cccc(NC(=O)COc2c(C(=O)O)ccc3ccccc23)c1 217717432 MFWVIPMXDJBJSQ-UHFFFAOYSA-N 363.369 3.758 0 40 FHAB CCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(F)cc1F 41077004 FIAQMBIABZUTFW-UHFFFAOYSA-N 357.360 3.860 0 40 FHAB CCc1nccn1-c1cccc(C2CCN(C(=O)C3CCCC3)CC2)n1 72378507 CDDZWUJSNZRPIL-UHFFFAOYSA-N 352.482 3.726 0 40 FHAB COc1cc(NC(=O)NC2CC(C)(C)NC(C)(C)C2)c(OC)cc1Cl 40023754 GBRMHSDZGYVLDL-UHFFFAOYSA-N 369.893 3.788 0 40 FHAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)ccc1C 223801175 RHCNYRZPMLBUGK-UHFFFAOYSA-N 373.352 3.601 0 40 FHAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222709598 QPAAMSHOJONNFM-CABCVRRESA-N 355.434 3.665 0 40 FHAB CC(C)C(NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C)C(C)C 225705416 SEAAPBRJDMTNDE-UHFFFAOYSA-N 370.540 3.603 0 40 FHAB CCc1ccccc1NC(=O)CCNC(=O)c1ccc2[nH]c(Cl)nc2c1 225979198 IRKBNCZXGJARHJ-UHFFFAOYSA-N 370.840 3.537 0 40 FHAB COc1cccc(OCCNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 224285311 PSQDZWJYIINVBU-INIZCTEOSA-N 365.429 3.811 0 40 FHAB Cc1cc2c(cc1-c1ccnc(N3CCOCC3)n1)[C@@H](C)CC(C)(C)N2 575473230 PDAHUXRWVOQBNU-HNNXBMFYSA-N 352.482 3.986 0 40 FHAB COC[C@@H]1CN(Cc2ccc(OC)cc2)Cc2cn(CC3CCCC3)nc21 96059994 FHESDCOEKIDUIT-FQEVSTJZSA-N 369.509 3.828 0 40 FHAB O=C(Cc1ccsc1)N1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 96109324 PYVRUBZLADRYHL-QUCCMNQESA-N 356.491 3.531 0 40 FHAB Cn1nccc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257321387 WBLURCNTBJTWEW-QGZVFWFLSA-N 368.412 3.505 0 40 FHAB Cc1cccc(Nc2cc([C@H]3CCCN(Cc4ccnn4C)C3)ccn2)n1 257212455 CDLPYIQXSMCMLH-SFHVURJKSA-N 362.481 3.642 0 40 FHAB O=C(c1cccnc1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257288186 PTGHWWDAQJQJGA-QGZVFWFLSA-N 365.408 3.819 0 40 FHAB Cc1cc(Nc2nc(C)cs2)nc([C@H]2CCN(Cc3cccnc3)C2)n1 257304851 SNJXCPHBUWGPQE-INIZCTEOSA-N 366.494 3.678 0 40 FHAB Cc1nn(C)cc1CCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 1318577208 NFHFLNNFSSZGNI-MRXNPFEDSA-N 368.506 3.677 0 40 FHAB OCCN(CCO)CCCCc1ccc(CSc2ccccc2)cc1 68606141 ZOJZIMATHCFJKE-UHFFFAOYSA-N 359.535 3.588 0 40 FHAB biogenic O=C(C[C@@H]1C(=O)Nc2ccccc21)N[C@H]1CC[C@H](c2cccc(F)c2)C1 684512771 DQROIMLQLIQVQP-ZVZYQTTQSA-N 352.409 3.704 0 40 FHAB CCc1ccccc1NC(=O)CNc1cccc(C)c1C(=O)N1CCCC1 55846494 OPWXZNUJFDIXHV-UHFFFAOYSA-N 365.477 3.844 0 40 FHAB Cc1cnc(C(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2cccc(F)c2)cn1 1615126678 MIJOILFUOMKDFR-OALUTQOASA-N 368.456 3.586 0 40 FHAB O=C(Nc1ccc2c(c1)OCC(=O)N2Cc1ccccc1)c1cccs1 5000937 MLPHHGQIAWCLGI-UHFFFAOYSA-N 364.426 3.926 0 40 FHAB CN(C)c1ccc(C2=NNC(c3cccnc3)=Nc3ccc(F)cc32)cc1 5445251 YLEZGYILGPCNSW-UHFFFAOYSA-N 359.408 3.721 0 40 FHAB CCCC(=O)N1CCC(c2cc3nc(C)cc(C(F)(F)F)n3n2)CC1 12160525 WJZBFIPXFSKORV-UHFFFAOYSA-N 354.376 3.563 0 40 FHAB CC(C)Oc1ccc(CCCNS(=O)(=O)c2ccc(F)cc2)cc1 13647994 ZDMHNLKWAVSCBH-UHFFFAOYSA-N 351.443 3.524 0 40 FHAB O=C(NCCc1nc(-c2ccccc2)cs1)c1cccc(-n2cccn2)c1 19374337 KVLXKRGSISBZPB-UHFFFAOYSA-N 374.469 3.968 0 40 FHAB C[C@H](NC(=O)c1cc2c([nH]c1=O)CCC2)c1cc2cc(Cl)ccc2o1 19458591 GDJRVMNFCFXSPL-JTQLQIEISA-N 356.809 3.754 0 40 FHAB CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CCN(C)C3 19681875 QZPXINQFXDRLAC-UHFFFAOYSA-N 371.531 3.856 0 40 FHAB C[C@H]1CCc2c(sc3ncnc(N(CCO)Cc4ccccc4)c23)C1 1987093 QYRKTBBAXPLUPX-AWEZNQCLSA-N 353.491 3.815 0 40 FHAB O=C(NOCc1ccccc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 25284658 DOQZKNDUPWWASK-UHFFFAOYSA-N 370.412 3.796 0 40 FHAB Cc1nc(C(=O)N2CC(c3ncn4ccc(-c5ccoc5)cc34)C2)cs1 1565555445 IBDOEKYHBQLDFH-UHFFFAOYSA-N 364.430 3.599 0 40 FHAB Clc1ccc(-c2nnc(NCCN3CCOCC3)c3ccccc23)cc1 712447 FBAHDBPEBDEZBK-UHFFFAOYSA-N 368.868 3.694 0 40 FHAB O=C(Nc1ccc(Cl)cc1F)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 717078 VYSONEMLCDQZCL-JTQLQIEISA-N 350.752 3.610 0 40 FHAB COc1ccc([C@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCCC3)cc1 4086881 JYFVTDPCCHUYGQ-OAQYLSRUSA-N 371.888 3.999 0 40 FHAB O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1cccc(Cl)c1 4941970 IFEDOGPTNNVRAL-UHFFFAOYSA-N 364.854 3.522 0 40 FHAB CCOc1cccc2sc(N3CCN(C(=O)C4CCCCC4)CC3)nc12 10166318 SESUKWNIXBMFHL-UHFFFAOYSA-N 373.522 3.924 0 40 FHAB COC(=O)c1c(NCCc2cccs2)c2cc(Cl)ccc2[nH]c1=O 49001547 FAWUIUZBPKYGLF-UHFFFAOYSA-N 362.838 3.684 0 40 FHAB Cc1noc(-c2ccnc(SCC(=O)Nc3cccc(Cl)c3)c2)n1 49405366 IAMDPHOOLWYWFY-UHFFFAOYSA-N 360.826 3.824 0 40 FHAB Cc1occc1C(=O)Nc1nc(CC(=O)Nc2cccc(F)c2)cs1 40128160 UOBXOXJMCPCFKE-UHFFFAOYSA-N 359.382 3.617 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)Nc2noc(-c3ccc(F)cc3)n2)cc1C 32624287 CQFCUXRXNCCUQE-CYBMUJFWSA-N 355.369 3.899 0 40 FHAB C[C@@H]1CCCC[C@H]1NC(=O)NCCc1cc(Cl)c2c(c1)OCCO2 32863243 LPNHNZRZDKBRIG-IUODEOHRSA-N 352.862 3.532 0 40 FHAB O=C(NCCNc1nc2ccccc2s1)c1ccc(C(F)(F)F)nc1 32828082 QLWOMMFSJBGOQJ-UHFFFAOYSA-N 366.368 3.552 0 40 FHAB Cc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1N1CCN(C)CC1 32843487 SKEIKJXLBPXTMQ-UHFFFAOYSA-N 367.537 3.902 0 40 FHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Cc1coc(-c2ccccc2)n1 32836855 YKCZTDOQPZALTI-UHFFFAOYSA-N 364.401 3.662 0 40 FHAB C[C@@H](NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1)[C@@H]1C[C@H]2CC[C@H]1C2 102609192 BBSVCYAZNREFTL-XWUBHJNHSA-N 355.404 3.720 0 40 FHAB COc1ccc([C@H](CNC(=O)[C@@]2(C)CC2(Cl)Cl)N2CCCC2)cc1 22620324 RIQJABGNJDSESL-DOTOQJQBSA-N 371.308 3.532 0 40 FHAB c1coc(-c2nnc(CN3CCN(Cc4cccc5ccccc45)CC3)o2)c1 22803326 UDFZEKHSCNEHPR-UHFFFAOYSA-N 374.444 3.801 0 40 FHAB CC(=O)Nc1ccc(C(=O)N(C)Cc2ccccc2N2CCCC2)cc1 24190864 CKOMNEMEZFKQGX-UHFFFAOYSA-N 351.450 3.517 0 40 FHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 24597267 XJSPYOGDFPYAQZ-ZWKOTPCHSA-N 354.425 3.643 0 40 FHAB C[C@H](c1nc2ccccc2s1)N(C)Cn1nc(-c2cccs2)oc1=O 24528909 PVXMDOQADOUNMN-LLVKDONJSA-N 372.475 3.825 0 40 FHAB C[C@H](NC(=O)Nc1ccccc1I)c1ccco1 43157741 ACHJOQZYDBKJEO-VIFPVBQESA-N 356.163 3.767 0 40 FHAB Cc1nc(C)c(C(=O)OCC(=O)c2ccccc2Br)s1 24794657 UVGFNCRBGCLBKM-UHFFFAOYSA-N 354.225 3.562 0 40 FHAB O=C(O)CSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1 917463 CPYNEMLNXZLXAZ-UHFFFAOYSA-N 374.853 3.710 0 40 FHAB COc1ccc([C@H](OC(=O)c2ccco2)C(=O)NCc2ccccc2)cc1 1381055 QGJHEKYKDMSAII-IBGZPJMESA-N 365.385 3.503 0 40 FHAB CCNC(=O)NCc1ccc(NC(=O)CCOc2ccc(C)cc2C)cc1 78902754 OXNFUVDYKDBLIO-UHFFFAOYSA-N 369.465 3.530 0 40 FHAB COC(=O)[C@H]1CCCCC[C@H]1NC(=O)c1nc(-c2ccco2)sc1C 79071606 UZVSKKJKYRKCKO-QWHCGFSZSA-N 362.451 3.563 0 40 FHAB O=c1c2c(C3CC3)csc2nc(SCCCO)n1-c1ccccc1 25042657 KSDPLTGMONQXOH-UHFFFAOYSA-N 358.488 3.799 0 40 FHAB COc1ccc(CNc2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1 25064464 HIAPTKPOWIBWHN-UHFFFAOYSA-N 367.430 3.762 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2c(C)ccc(Cl)c2C(=O)O)cc1 79066346 MESWZQYARQQMEB-UHFFFAOYSA-N 369.826 3.546 0 40 FHAB CSc1ncccc1C(=O)OCC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C 3233092 KPWKBAPGCGFDIN-LZWOXQAQSA-N 365.495 3.964 0 40 FHAB CCC(CC)[C@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)c1cccs1 56007834 ULHGPAQVNYVCOF-SFHVURJKSA-N 362.539 3.990 0 40 FHAB O=C(COc1cccc(Oc2ccccn2)c1)N1CCc2sccc2C1 12545330 FUSYSNJCCTZLFU-UHFFFAOYSA-N 366.442 3.899 0 40 FHAB CSc1ccc(S(=O)(=O)NCCOc2ccc(Cl)cc2C)cc1 4689169 ZHXPTRPGCWABLN-UHFFFAOYSA-N 371.911 3.728 0 40 FHAB COc1ccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1OC 4920725 FJDNIYUBJZLBCN-UHFFFAOYSA-N 367.405 3.634 0 40 FHAB Cc1oc(-c2ccccc2)cc1C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 6279948 ROMRZCLBMNAWCR-FUHWJXTLSA-N 374.440 3.676 0 40 FHAB CCc1c(C)sc2ncn3nc(-c4cc(C(F)(F)F)n[nH]4)nc3c12 6412693 MAYLFVJBSJGUKO-UHFFFAOYSA-N 352.345 3.619 0 40 FHAB Cc1cccc(-c2nnc3sc(NC(=O)c4cccc(F)c4)nn23)c1 6818139 GZSFSBWLTZPWOC-UHFFFAOYSA-N 353.382 3.553 0 40 FHAB CCOc1ccc(N2C[C@H](C(=O)Oc3c(C)cccc3C)CC2=O)cc1 58023032 AOUQTNSXCBPWHR-MRXNPFEDSA-N 353.418 3.661 0 40 FHAB CCCN1CCC(CNC(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC1 58163218 UGBXANZZSXOKIB-UHFFFAOYSA-N 370.537 3.767 0 40 FHAB Cn1ncc(C(=O)Nc2cccc(OCC(F)(F)F)c2)c1C(F)(F)F 58218407 TVCFIFGZRRHRCA-UHFFFAOYSA-N 367.249 3.632 0 40 FHAB CC[C@@H]1CCc2nc(O)c(C(=O)Nc3cccc(-n4ccnc4)c3)cc2C1 1291586545 RZIBEVJHHNANOA-CQSZACIVSA-N 362.433 3.740 0 40 FHAB O=C(NC1CCCCC1)C(=Cc1ccc(O)cc1)C(=O)NC1CCCCC1 3261459 VOMGOGLKVFMUQJ-UHFFFAOYSA-N 370.493 3.673 0 40 FHAB COc1ccc(-c2noc(CNc3ccc(F)c(F)c3F)n2)c(OC)c1 52874290 DGYRNQRYWPOSTG-UHFFFAOYSA-N 365.311 3.783 0 40 FHAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCN(c2nccs2)CC1 10669156 TWXFOKNVXPERFX-UHFFFAOYSA-N 363.486 3.701 0 40 FHAB CCCCN(CC)Cc1nc2c3c4c(sc3ncn2n1)COC(C)(C)C4 2216029 DISBIIHTMWCCAY-UHFFFAOYSA-N 373.526 3.812 0 40 FHAB CS(=O)(=O)c1ccc(C(=O)Nc2cccnc2Oc2ccccc2)cc1 36397623 BZQINSCCIYWRQG-UHFFFAOYSA-N 368.414 3.530 0 40 FHAB O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(F)c(F)c1F 58093273 SSIXLCDHGFOITP-UHFFFAOYSA-N 353.325 3.787 0 40 FHAB COC(=O)c1cc(COC(=O)c2ccc(OC(F)(F)F)cc2)oc1C 2635124 CPQZUYISHOWIDM-UHFFFAOYSA-N 358.268 3.630 0 40 FHAB CC(=O)N[C@H](CC(=O)Nc1nc2ccc(C)cc2s1)c1ccccc1 2648554 ADVKVEAWEMUWHB-MRXNPFEDSA-N 353.447 3.811 0 40 FHAB CCc1n[nH]c(SCc2ccc(CSc3nc(CC)n[nH]3)cc2)n1 12082516 GYUVFHABJJIABO-UHFFFAOYSA-N 360.512 3.632 0 40 FHAB O=C(O)[C@@H](c1c[nH]c2ccc(OCc3ccccc3)cc12)N1CCCC1 12389151 HSPAFEGZVABAPD-HXUWFJFHSA-N 350.418 3.968 0 40 FHAB Cc1cc(C)n(C[C@@H](C)CNC(=O)CCC(=O)c2ccc(Cl)cc2)n1 48299642 JPCCPZBTYLCRBN-ZDUSSCGKSA-N 361.873 3.569 0 40 FHAB Cc1ccc(C(=O)OCC(=O)Nc2cccc(Br)c2)s1 3384712 ZBNWRQUFZVLWQU-UHFFFAOYSA-N 354.225 3.615 0 40 FHAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)OCC(F)(F)F 48310018 RLAUGSFANXWWTK-UHFFFAOYSA-N 372.265 3.653 0 40 FHAB O=C(Cc1ccc(Cl)cc1Cl)NCc1ccc2c(c1)OCCO2 12875952 XSVCYTUPSXZSML-UHFFFAOYSA-N 352.217 3.624 0 40 FHAB COc1ccc(S[C@@H](C)C(=O)N2CCN(c3ccccc3F)CC2)cc1 20108973 LWUCWPPGIUCPFI-HNNXBMFYSA-N 374.481 3.664 0 40 FHAB O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)NC1CCCCC1 3525207 KVLFHHPYUBUECX-UHFFFAOYSA-N 365.429 3.523 0 40 FHAB CC(C)n1nc(C(=O)Nc2ccc(F)c(F)c2F)c2ccccc2c1=O 3561392 JWLYSCKAOURGRF-UHFFFAOYSA-N 361.323 3.647 0 40 FHAB C[C@H](OC(=O)COc1ccc2c(c1)CCC(=O)N2)c1ccccc1Cl 12928662 PTUJTTITIDKLOK-LBPRGKRZSA-N 359.809 3.908 0 40 FHAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(Oc2ccccc2)cc1 12950206 DKMULKFOJOAZED-AWEZNQCLSA-N 350.374 3.829 0 40 FHAB Cc1cc(NC(=S)Nc2cccnc2)ccc1I 12970510 LQHZJMAHSJABSQ-UHFFFAOYSA-N 369.231 3.804 0 40 FHAB c1ccc(C2=Nn3c(nnc3-c3cc(-c4ccccc4)[nH]n3)SC2)cc1 4038543 TUFHEEZPYAMHFI-UHFFFAOYSA-N 358.430 3.693 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)/C=C/c1cccc(F)c1)c1ccccc1F 9335952 ARHAPRXRHMADFW-YXBWYFRISA-N 353.372 3.617 0 40 FHAB COc1cccc2cc(C(N)=O)/c(=N/c3cccc(C(F)(F)F)c3)oc12 4177685 GXPQIRWUWSPGCI-QJOMJCCJSA-N 362.307 3.792 0 40 FHAB CCOc1cccc(NC2=C(Cl)C(=O)N(Cc3ccc(F)cc3)C2=O)c1 5012220 QPDKRXMFOXAKQS-UHFFFAOYSA-N 374.799 3.656 0 40 FHAB COc1cccc(-c2noc(CSc3nc4ccc(OC)cc4[nH]3)n2)c1 4252249 WWSDDQRXSJOQIK-UHFFFAOYSA-N 368.418 3.922 0 40 FHAB O=C1c2ccccc2N[C@@H](c2ccc3c(c2)OCO3)N1c1ccc(O)cc1 9423263 UAHOFGCGXBIRFX-HXUWFJFHSA-N 360.369 3.892 0 40 FHAB Cc1cc(C)cc(-n2ncc3c(=O)n([C@@H](C)C(=O)c4ccccc4)cnc32)c1 6580432 PJHJRHMXVDSSOW-INIZCTEOSA-N 372.428 3.643 0 40 FHAB Cc1cccc(N2C(=O)c3ccc(C(=O)Nc4nccs4)cc3C2=O)c1 4672769 RGIMARRZHPPJRQ-UHFFFAOYSA-N 363.398 3.504 0 40 FHAB Cc1cc(OCC(=O)Nc2nonc2-c2ccc(F)cc2)ccc1Cl 6668885 NFZGUBAWHGVAIC-UHFFFAOYSA-N 361.760 3.855 0 40 FHAB CCCCn1c(O)c(C(=O)Nc2cccc(OC)c2)c(=O)c2ccccc21 5898149 PSOCXOMKSGQATM-UHFFFAOYSA-N 366.417 3.768 0 40 FHAB C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(S(C)(=O)=O)cc1 15197061 PJQFHRARNOWGEX-NSHDSACASA-N 371.380 3.600 0 40 FHAB COc1cccc([C@H](C)NC(=O)COC(=O)c2ccc(C(C)C)cc2)c1 67197907 KJDARGSMDGFDEB-HNNXBMFYSA-N 355.434 3.853 0 40 FHAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4976831 WAICTUHVRDQKRN-DZGCQCFKSA-N 354.837 3.671 0 40 FHAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCc1ccc(C(F)(F)F)cc1 15439997 DLNLCYALPJJNGZ-XBXARRHUSA-N 363.335 3.806 0 40 FHAB CC(C)(C)c1noc(CCCC(=O)N(CC(F)(F)F)c2ccccn2)n1 67655251 ZOYUXQWWQUUXPM-UHFFFAOYSA-N 370.375 3.680 0 40 FHAB CC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1 7221719 SFUNDMAAJXHCMQ-VIFPVBQESA-N 351.328 3.501 0 40 FHAB CC(C)CC(=O)Nc1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@H]2C)cc1 15618271 GYGLJDUPLVSPRW-GASCZTMLSA-N 352.500 3.623 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc(Cl)ccc2F)c1C 7522671 RTWYJFWHOFHQSP-UHFFFAOYSA-N 351.761 3.666 0 40 FHAB COc1cc(/C=C/C(=O)Nc2cccc3cnccc23)cc(OC)c1OC 7655327 SPWLHUOLECIUOW-BQYQJAHWSA-N 364.401 3.913 0 40 FHAB COc1ccc([C@@H]2S[C@H](C)C(=O)N2c2ncc(C)s2)cc1OC 19927655 SMVJVJXMONMNQJ-BMIGLBTASA-N 350.465 3.636 0 40 FHAB CCn1cc(CC(=O)Nc2ccc(-n3ccnc3C)nc2)c2ccccc21 83843380 MTFZIPGRCXDHEV-UHFFFAOYSA-N 359.433 3.732 0 40 FHAB O=C(N[C@H]1CCc2ccccc21)c1ccccc1I 16471677 MDBKEHUZCGMKKW-HNNXBMFYSA-N 363.198 3.709 0 40 FHAB COC(=O)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1C1CCCC1 8265469 RRAHQNPDOLLPIJ-JTQLQIEISA-N 366.870 3.819 0 40 FHAB O=C(NCCc1ccc2c(c1)OCCO2)c1cc2c(s1)CCCCC2 8390691 DPAAABSFVLREPA-UHFFFAOYSA-N 357.475 3.761 0 40 FHAB COc1ccc(-c2nsc(NC(=O)c3cnn(C(C)C)c3C)n2)cc1 92443681 VSHITVZMABURNX-UHFFFAOYSA-N 357.439 3.552 0 40 FHAB COc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)cc1 8917445 BFCHERDOMKMVQI-OAQYLSRUSA-N 368.477 3.661 0 40 FHAB biogenic CN(C)CC[C@H](OC(=O)C[C@H]1OCCc2ccccc21)c1cccs1 72310680 CSCMAFRASXYRKC-ZWKOTPCHSA-N 359.491 3.988 0 40 FHAB CC(C)CC[C@H](C)NS(=O)(=O)Cc1ccc(Br)cc1F 72318863 CZZWFXVQASQFAQ-NSHDSACASA-N 366.296 3.832 0 40 FHAB Cc1cc2occ(CC(=O)NCC(=O)Nc3ccccc3C)c2cc1C 72427626 KPXUNPXJXXSXJN-UHFFFAOYSA-N 350.418 3.655 0 40 FHAB O=C(NC[C@H](O)c1cc2ccccc2s1)c1ccc2c(n1)CCCC2 89873101 BFVDIEBKNPZNAV-KRWDZBQOSA-N 352.459 3.639 0 40 FHAB CC(C)C(=O)NC(=S)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1 408618004 BRFGLVDWAUKNLC-UHFFFAOYSA-N 373.869 3.543 0 40 FHAB O=C(Nc1cccnc1)c1ccc(NC(=O)c2c[nH]nc2-c2ccco2)cc1 1543419207 DBOFOOFHYLTNMY-UHFFFAOYSA-N 373.372 3.569 0 40 FHAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](C)COc1ccc(OC)cc1 30865050 HGRLEDOEBAQMLZ-LPHOPBHVSA-N 357.450 3.745 0 40 FHAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CN(C(=O)c2cccs2)C1 62022608 VOAGMUIQHICBSE-UHFFFAOYSA-N 372.343 3.617 0 40 FHAB O=C(CCc1ccccc1F)NC[C@H](O)c1ccc(-c2ccco2)cc1 675008332 SBUYNSJWVADOBV-IBGZPJMESA-N 353.393 3.868 0 40 FHAB COc1ccccc1N1C(=O)C[C@@H](Nc2ccc(Cl)cc2Cl)C1=O 36635601 ZLJHVNPIWUULGV-CYBMUJFWSA-N 365.216 3.746 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1ccc(OC)c(OC)c1 44846182 RQIBESNTRWAHSP-KRWDZBQOSA-N 361.413 3.659 0 40 FHAB Cc1cc(Cc2ccccc2F)cc([C@H]2CCCN(C(=O)C(C)(C)O)C2)n1 72354147 LDMTXRLWSGGHJO-SFHVURJKSA-N 370.468 3.597 0 40 FHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 222458651 HTOXDKLNQXLZKJ-NRFANRHFSA-N 366.505 3.870 0 40 FHAB Cc1ccc(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)cc1 224668260 ZXGOXAKIMUHZAC-KRWDZBQOSA-N 370.468 3.619 0 40 FHAB CN(C)[C@@H](CNC(=O)Nc1ccccc1N1CCCC1)c1cccs1 40103779 HXEBYPOWTJUERL-KRWDZBQOSA-N 358.511 3.773 0 40 FHAB COc1ccccc1OCCNC(=O)[C@@H](C)Oc1cccc2c1CCCC2 225140281 YAIMLJZMBVILSX-MRXNPFEDSA-N 369.461 3.537 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 224928938 WCQLFPIGNQJMLP-SCLBCKFNSA-N 361.413 3.878 0 40 FHAB CC(C)(Cc1ccccc1)NC(=O)CN1C(=O)c2cccc3cccc1c23 223454070 JZTDUVCSKKXSSC-UHFFFAOYSA-N 358.441 3.938 0 40 FHAB COc1ccc2c(c1)CCC[C@H]2NC(=O)c1cccc(N2CCCC2=O)c1 224426117 AXEAHHAMSGFWEM-HXUWFJFHSA-N 364.445 3.629 0 40 FHAB Cc1cccc(COC[C@@]23CCC[C@@H]2CN(C(=O)c2ccsc2)C3)n1 96109295 XRGGLEIXKSOCFB-XLIONFOSSA-N 356.491 3.911 0 40 FHAB O=C(c1ccc(Cl)cc1)N1CCN(c2cc(-c3cccs3)n[nH]2)CC1 98211817 AKNFRQIOSLLACW-UHFFFAOYSA-N 372.881 3.754 0 40 FHAB Cc1cccc(COC[C@]23CCCO[C@H]2CCN(Cc2ccoc2)C3)n1 96065129 KLVAJBFEZJYYIM-LEWJYISDSA-N 356.466 3.571 0 40 FHAB Cc1ccc(CN2CCC3(CC2)C[C@@H](OCc2cccnc2)CO3)cc1 96106753 PPHMEFURWGYGDL-OAQYLSRUSA-N 352.478 3.730 0 40 FHAB CC(C)n1ccc2c(C(=O)NCCCc3nnc4ccccn34)cccc21 95472606 UMSAQRBUUYNGKC-UHFFFAOYSA-N 361.449 3.628 0 40 FHAB Cn1ccnc1C(=O)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257297600 RHZONZVEWVQGLY-INIZCTEOSA-N 370.840 3.630 0 40 FHAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1CCC[C@H](C)C1 260740919 ALPTYUYMOUNOGP-PGRDOPGGSA-N 372.553 3.961 0 40 FHAB C[C@@H](N)[C@@H]1CN(c2ncnc3cc(-c4ccc(Cl)cc4)sc23)CCO1 643017973 UOZWFSSZDCBKOF-ABAIWWIYSA-N 374.897 3.564 0 40 FHAB COc1cccc(-c2nc(N3CC[C@@H]4COC[C@H]4C3)c3ccccc3n2)c1 664552546 IZFCVBIDMBBZJZ-IAGOWNOFSA-N 361.445 3.778 0 40 FHAB CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)Nc1nccs1 52460425 IUEFGAPMGMWQTH-UHFFFAOYSA-N 359.430 3.769 0 40 FHAB COc1ccc(C(=O)NCc2nn(C3CCCC3)c3c2CCCC3)cc1 96099214 WDHKNYPLYPVGED-UHFFFAOYSA-N 353.466 3.816 0 40 FHAB S=C(NCc1ccccc1)Nc1ccc(I)cc1 5899693 SNHKGJQKWOWINV-UHFFFAOYSA-N 368.243 3.778 0 40 FHAB COc1cc(/C=N/c2ccccc2)cc(Br)c1OCC(=O)O 8110907 USAKGJNUEMMHMD-GIJQJNRQSA-N 364.195 3.672 0 40 FHAB Cc1cccc(C2(O)CCN(C(=O)Cn3ccc4ccc(F)cc43)CC2)c1 12148710 DPUZKXIMGKHYLH-UHFFFAOYSA-N 366.436 3.599 0 40 FHAB COc1ccc2cnc([C@@H]3CCCN(C(=O)c4cccnc4)C3)cc2c1C 12187856 DREDQHXDOBCJNS-GOSISDBHSA-N 361.445 3.967 0 40 FHAB COc1ccc(CNC(=O)CCCc2c[nH]c3ccccc23)cc1OC 12892770 VZKILDZZJKMCPJ-UHFFFAOYSA-N 352.434 3.824 0 40 FHAB biogenic CCOC(=O)c1c(NC(=O)CC2(C(=O)O)CCCC2)sc(C)c1C 13251070 VIDCUPYKBFNFLJ-UHFFFAOYSA-N 353.440 3.515 0 40 FHAB S=C(Nc1ccc(Br)cc1)Nc1ccc2c(c1)OCO2 13786588 VSTVYCBRDCAJDL-UHFFFAOYSA-N 351.225 3.987 0 40 FHAB CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 14095257 DVNYHAXBBDOESM-UHFFFAOYSA-N 360.479 3.586 0 40 FHAB CC(=O)N(C)Cc1nc2ccccc2n1CCOc1cc(C)ccc1C 15922129 AFGMHKYJWZTMBL-UHFFFAOYSA-N 351.450 3.710 0 40 FHAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1cnn(Cc2ccccc2)c1 16104427 MMSBBDUKQBYNLY-UHFFFAOYSA-N 357.316 3.505 0 40 FHAB Cc1ccc(C(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1C 16584672 IBYMWEKPXJAYMG-UHFFFAOYSA-N 360.339 3.859 0 40 FHAB Cc1ccc([C@]2(O)CCN(Cc3c(-c4ccccc4)nn(C)c3C)C2)cc1 19715878 XPZGPHHWFOAFDS-QHCPKHFHSA-N 361.489 3.797 0 40 FHAB CC(C)COC(=O)CN1C(=O)S/C(=C\c2c(F)cccc2Cl)C1=O 6326793 BTTPTFWQPKOESN-MLPAPPSSSA-N 371.817 3.715 0 40 FHAB O=C(NCCc1c[nH]c2cc(F)ccc12)N1CCCC[C@@H]1c1ncc[nH]1 106550768 MVCWCCSEXVVCQY-QGZVFWFLSA-N 355.417 3.509 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NC2CCCCCCC2)cc1 3566954 SWYNICUBQVNTJL-UHFFFAOYSA-N 366.527 3.560 0 40 FHAB COc1ccc(Cl)cc1CN(C)[C@H](C)c1nc2ccccc2c(=O)[nH]1 7001288 DZBFTHANHJKNKD-GFCCVEGCSA-N 357.841 3.778 0 40 FHAB Cc1cc(C)n(-c2ccccc2NC(=O)c2cc3ccccc3c(=O)[nH]2)n1 25014015 PRDZFPHUFICCNM-UHFFFAOYSA-N 358.401 3.583 0 40 FHAB Cc1onc(C(C)C)c1C(=O)N1CCC[C@](O)(COc2ccccc2)CC1 2037909354 WGGRZRCQHUVACT-OAQYLSRUSA-N 372.465 3.543 0 40 FHAB Cc1cc(C)cc(N(C)S(=O)(=O)c2ccc(Br)cc2)c1 48442039 RITDKWHCVPPHGJ-UHFFFAOYSA-N 354.269 3.891 0 40 FHAB Cc1cccc(-c2nc3scc(CCNC(=O)c4ccccc4)n3n2)c1 4374633 SZKQEFQNYBMQRQ-UHFFFAOYSA-N 362.458 3.739 0 40 FHAB COc1cccc(-c2ccc(SCC(=O)Nc3nc(C)cs3)nn2)c1 5108070 RYZOAASPOHMOIP-UHFFFAOYSA-N 372.475 3.648 0 40 FHAB COc1ccc(-c2cs/c(=N\c3ccc(C)cc3)n2CCO)cc1OC 9317451 MMVJMBNRYZNBNA-MRCUWXFGSA-N 370.474 3.767 0 40 FHAB COC(=O)c1ccc(C(=O)NCc2cncc(-c3ccsc3)c2)cc1 206943499 NDCXGRXIMLDTNQ-UHFFFAOYSA-N 352.415 3.527 0 40 FHAB CCN1C(=O)Cc2cc(NC(=O)c3ccccc3Br)ccc21 17288914 HUNFTPBSKIQFCV-UHFFFAOYSA-N 359.223 3.610 0 40 FHAB COc1cc(NC(=O)c2c(C)[nH]c(C(C)=O)c2C)c(OC)cc1Cl 55104144 JGCUGPLMORTNDQ-UHFFFAOYSA-N 350.802 3.757 0 40 FHAB CCCc1cc(C(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)[nH]n1 30021694 VBWBUPSPUOHABN-UHFFFAOYSA-N 352.365 3.952 0 40 FHAB CCn1c(SCc2noc(-c3cccs3)n2)nnc1-c1ccncc1 40012649 QLCPTKOKFPUGOQ-UHFFFAOYSA-N 370.463 3.764 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)N(C)C)c(Cl)c1 40146674 JMOXQHIPDJKMRG-UHFFFAOYSA-N 367.858 3.543 0 40 FHAB CCOc1cc(C(=O)NCc2ccccc2N2CCCC2)ccc1OC 40157786 XFHISSBWFROBGB-UHFFFAOYSA-N 354.450 3.624 0 40 FHAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c2cccnc12 31093457 JOONVJJGKLRSGH-KRWDZBQOSA-N 359.429 3.530 0 40 FHAB O=C(Cn1ccc2cc(Br)ccc21)NCCCc1ccco1 20716374 UBHFAAPQCANRQH-UHFFFAOYSA-N 361.239 3.746 0 40 FHAB CCOc1ccc(-c2nc(CC(=O)Nc3c(C)nn(C)c3C)cs2)cc1 32455722 QZJJMGKXHHKZBF-UHFFFAOYSA-N 370.478 3.740 0 40 FHAB Cc1ccc(C)c([C@@H](C)NC(=O)COc2cccc(NC(=O)C3CC3)c2)c1 32817833 QQHASAFZBZOQFO-MRXNPFEDSA-N 366.461 3.908 0 40 FHAB CCOc1ccc(OCCSc2nc3nc(C)c(C)c(C)n3n2)cc1 32936546 XFYQWSAGAAWDGG-UHFFFAOYSA-N 358.467 3.619 0 40 FHAB CN(C)C(=O)Oc1ccc(-c2cn3cc(C(F)(F)F)ccc3[n+]2C)cc1 633459 RBJJEEYPXJAMMI-UHFFFAOYSA-N 364.347 3.510 0 40 FHAB CN(C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)C1CCCCC1 22835666 YNLBIYORIUROPK-OUKQBFOZSA-N 354.494 3.730 0 40 FHAB C[C@@H](NC(=O)CSCc1ccccc1)c1ccc(-n2ccnc2)cc1 23156470 NRPRGKBUULWZCM-MRXNPFEDSA-N 351.475 3.983 0 40 FHAB CN(Cc1ccncc1)C(=O)CCCOc1ccccc1Br 47851016 LQZGGUGTTVPRDC-UHFFFAOYSA-N 363.255 3.662 0 40 FHAB Cc1nccc(-c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)n1 24578182 QIDIZUQMBMVKHX-UHFFFAOYSA-N 353.447 3.870 0 40 FHAB CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1 792534 MLGPHJHMHVLWTF-UHFFFAOYSA-N 356.510 3.849 0 40 FHAB Cc1cc2cc3c(cc2nc1SCC(=O)NC1CCCCC1)OCO3 929993 MFBCPJRSEPECMG-UHFFFAOYSA-N 358.463 3.813 0 40 FHAB COc1ccc(-c2cc3c(N)nc(N)nc3nc2-c2ccc(OC)cc2)cc1 1394863 ZNTMFBQLUIDWSG-UHFFFAOYSA-N 373.416 3.540 0 40 FHAB O=C(NC1CCCCC1)NC1(C(=O)N2CCc3ccccc32)CCCCC1 1344785 LTDPIFIYXZMAEN-UHFFFAOYSA-N 369.509 3.911 0 40 FHAB COc1ccc(C(=O)COc2ccc(Br)cc2F)cc1OC 3404189 DWQUXSNUCGQPOT-UHFFFAOYSA-N 369.186 3.867 0 40 FHAB Cc1ccc(NC(=O)CN(C)C(=O)COc2ccc3ccccc3c2)cc1 3424319 XUWZLHLMXBSHSO-UHFFFAOYSA-N 362.429 3.624 0 40 FHAB CC(C)C[C@@H]1C[C@H](NC(=O)Nc2ccn(Cc3ccccc3)n2)CCO1 95464579 AUQOXHHUHTXKLZ-QZTJIDSGSA-N 356.470 3.647 0 40 FHAB O=C(Nc1ccc(Br)cc1Cl)[C@H]1COc2ccccc2O1 6260180 FXEYKEOZIHKZSO-CQSZACIVSA-N 368.614 3.881 0 40 FHAB C[C@@H](OC(=O)Cc1c(F)cccc1Cl)C(=O)N[C@H]1CCCC[C@H]1C 7107911 DIYCRPYZHMSAGV-HSMVNMDESA-N 355.837 3.648 0 40 FHAB CCCn1nnnc1NCc1ccc(OCc2ccccc2)c(OCC)c1 7263395 CRBUBCXRVZYAPF-UHFFFAOYSA-N 367.453 3.673 0 40 FHAB CCOc1ccc(C(=O)Nc2nnc(SCC)s2)cc1OCC 7345235 HKNQKLYWXWJIJS-UHFFFAOYSA-N 353.469 3.700 0 40 FHAB O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCC(N2CCCCC2)CC1 57413210 RKJNKQLFQBQRRG-UHFFFAOYSA-N 372.900 3.821 0 40 FHAB COc1ccc(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 1934559 NVWMUCWPWXUADE-UHFFFAOYSA-N 353.296 3.510 0 40 FHAB CN(C)[C@@H](CNC(=O)c1ccc(COc2ccccc2)cc1)c1ccco1 8073448 BALZYVQIJNUVFD-FQEVSTJZSA-N 364.445 3.891 0 40 FHAB COc1cccc(OC(=O)c2ccc(Cn3nnc4ccccc43)cc2)c1 8168206 LVXDXSGDKGBVQX-UHFFFAOYSA-N 359.385 3.707 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(C)Cc1nc2ccccc2[nH]1 58356748 QEASTADIUJNQAH-UHFFFAOYSA-N 373.460 3.567 0 40 FHAB O=C(NCc1ccccc1F)c1ccc(=O)n(Cc2ccccc2Cl)c1 10445027 XAYWWVKRNNCEAD-UHFFFAOYSA-N 370.811 3.619 0 40 FHAB Cc1cc(S(=O)(=O)N[C@H]2CCc3ccccc32)ccc1Br 10752691 VCWPLXYJPSUZCY-INIZCTEOSA-N 366.280 3.723 0 40 FHAB COc1ccccc1NC(=S)N1CCC(C(=O)c2ccc(O)cc2)CC1 10845636 KVOAANHFLONPPT-UHFFFAOYSA-N 370.474 3.693 0 40 FHAB Cc1c(Br)c(C(=O)Nc2cccc(C(F)(F)F)c2)nn1C 28304204 CDGZGKINVDZKEM-UHFFFAOYSA-N 362.149 3.762 0 40 FHAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccco4)[C@H]3C2=O)c1 100766555 UUGGYUOCROHAJQ-AQNXPRMDSA-N 374.396 3.639 0 40 FHAB COc1ccc([C@H](NC(=O)NC2CCCCCCC2)c2nccn2C)cc1 45860806 OTALQSDTRKRZBU-IBGZPJMESA-N 370.497 3.930 0 40 FHAB Cc1cccc(C2=NN(C(=O)[C@H]3CCCO3)[C@@H](c3cccc(F)c3)C2)c1 89669281 SRZASRAURGAUFA-WOJBJXKFSA-N 352.409 3.991 0 40 FHAB COc1cccc(Cn2cc(NC(=O)CSc3ccccc3)cn2)c1 28220706 ZWYUYDJGYHARGM-UHFFFAOYSA-N 353.447 3.671 0 40 FHAB Cc1csc(N(C(=O)CCNC(=O)c2ccsc2)c2ccccc2)n1 25013363 FSGBKVZDKXLJGH-UHFFFAOYSA-N 371.487 3.998 0 40 FHAB CCOC(=O)[C@H]1CC(=O)N(c2ccc3oc(-c4ccccc4C)nc3c2)C1 57326895 RLLMYRIEOWYPDI-AWEZNQCLSA-N 364.401 3.719 0 40 FHAB Cc1cccc(C(C)C)c1NC(=O)CSc1nc2c(c(=O)[nH]1)CCCC2 11903576 UYOYTZKDZFWDFI-UHFFFAOYSA-N 371.506 3.811 0 40 FHAB CCc1ccc(C(=O)CSc2nncn2-c2ccc(OC)cc2)cc1 2629720 MDRYHIJRUQLNQO-UHFFFAOYSA-N 353.447 3.813 0 40 FHAB CCC[C@H](c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1 57669574 ZVFNTPHUFQNXLT-LJQANCHMSA-N 372.492 3.591 0 40 FHAB O=C(CCc1ccc(Cl)cc1)NCc1ccc(N2CCCC2=O)cc1 12613896 OXJSTGFMUOJSGC-UHFFFAOYSA-N 356.853 3.716 0 40 FHAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(C)cc2O)c1 12750303 HMWTWWTWGLQVQT-UHFFFAOYSA-N 354.435 3.569 0 40 FHAB C[C@H]1C[C@H](C(=O)Nc2cccc(NC(=O)c3cccs3)c2)CCC1=O 89920224 AJXRRUDVVZFUQN-QWHCGFSZSA-N 356.447 3.944 0 40 FHAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cnccn1 3300017 QKKDXXWWNGKCRY-UHFFFAOYSA-N 350.344 3.738 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)NCCc2ccc3c(c2)OCO3)c1 48325637 CEMJRPDIPNXHIS-UHFFFAOYSA-N 372.421 3.577 0 40 FHAB Cc1ccc(NC(=O)CN(C)C(=O)c2cccc(C(F)(F)F)c2)cc1 3555481 VIXBLCSFWIKTNM-UHFFFAOYSA-N 350.340 3.725 0 40 FHAB O=C1O[C@@H](C(=O)Nc2nc(-c3ccccc3)cs2)Cc2ccccc21 12974201 DWMDABJITKMCIT-MRXNPFEDSA-N 350.399 3.530 0 40 FHAB CCc1ccc(/C=C/C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1 12998940 NWJFGAGOODNMEA-OUKQBFOZSA-N 362.473 3.683 0 40 FHAB CCN(CC)CCOC(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1 3628197 MVISHVPUQTWFAY-UHFFFAOYSA-N 354.450 3.746 0 40 FHAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2csc3c2CCCC3)cc1 39975799 WLJISBLFXUSOGL-UHFFFAOYSA-N 365.458 3.844 0 40 FHAB COc1ccc([C@@H]2CCCN2C(=O)Cc2noc3ccccc23)c(OC)c1 39984321 IQEBUELXYRAUBO-SFHVURJKSA-N 366.417 3.751 0 40 FHAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1F 9368637 RLTTXYKYFLBMJH-IFXJQAMLSA-N 356.397 3.580 0 40 FHAB C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)N1CCc2ccccc21 9313497 NMLGGMDWBILBDD-ZDUSSCGKSA-N 350.447 3.542 0 40 FHAB COc1ccc(C(=O)COC(=O)c2cccc(Br)c2)cc1F 5426635 RISVNHDDSUUHJJ-UHFFFAOYSA-N 367.170 3.637 0 40 FHAB COc1ccccc1-n1c(C)c(C)c2c1ncn1nc(-c3ccco3)nc21 6662807 LIRPICPRHFRVQM-UHFFFAOYSA-N 359.389 3.954 0 40 FHAB CC(C)NC(=O)N(O)[C@H]1N(Cc2ccc(F)cc2)C(=S)SC1(C)C 4732531 AJVCNRIXBHYOBH-CYBMUJFWSA-N 371.503 3.573 0 40 FHAB Cc1csc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)n1 4777233 NKWNQMIUPUMWQZ-UHFFFAOYSA-N 365.871 3.621 0 40 FHAB C[C@H](CCc1ccccc1)NC(=O)CCCNC(=O)NC1CCCCC1 14899094 PHUYPOPALKIOCP-QGZVFWFLSA-N 359.514 3.536 0 40 FHAB O=C(Nc1cccc(F)c1)[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 9486227 XMRLAWHXSUGJJR-MRXNPFEDSA-N 365.408 3.798 0 40 FHAB CC(=O)Oc1cccc2cc(-c3nc(-c4ccc(C)cc4)no3)c(=O)oc12 9431175 AGZQLMYURMOPNY-UHFFFAOYSA-N 362.341 3.744 0 40 FHAB COc1ccc([C@@H]2c3c(C)n[nH]c3C(=O)N2c2ccc(C)cc2)cc1OC 5818265 LEGHUQUONTUALA-HXUWFJFHSA-N 363.417 3.794 0 40 FHAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)NCc1ccccc1 4935815 GMJZBDVCFSVSQT-UHFFFAOYSA-N 364.474 3.553 0 40 FHAB Cc1c(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)sc2ccccc12 9577808 CNWFNMUEWIIETP-YUNKPMOVSA-N 370.474 3.893 0 40 FHAB COc1cc(NS(=O)(=O)c2ccc(Cl)s2)c(OC)cc1Cl 7387461 WWWPDAKNBGXGKH-UHFFFAOYSA-N 368.263 3.873 0 40 FHAB C[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)NCC1CCCCC1 7651369 VFXFSAVCWNBQGB-LBPRGKRZSA-N 357.372 3.947 0 40 FHAB CC(C)c1cc(C(N)=O)c(NS(=O)(=O)c2ccc3ccccc3c2)s1 27927876 VDMDCPCAOWMQKL-UHFFFAOYSA-N 374.487 3.924 0 40 FHAB O=C(Cc1csc(-c2ccccc2)n1)Nc1nnc([C@H]2CCCO2)s1 7995791 UBYNFWAQSMEEIQ-CYBMUJFWSA-N 372.475 3.694 0 40 FHAB CC(C)[C@H](NCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 8003444 OAGPCIIKWHOCFZ-QFIPXVFZSA-N 365.477 3.739 0 40 FHAB CC(=O)N[C@@H](CC(=O)Nc1nnc(C2CCCCC2)s1)c1ccccc1 16722225 SOBDJIFMLKGGFA-INIZCTEOSA-N 372.494 3.792 0 40 FHAB CCOC(=O)c1sc(NC(=O)c2cc(-c3ccccc3)on2)nc1C 16707734 LFXCXWREPDYESZ-UHFFFAOYSA-N 357.391 3.536 0 40 FHAB C[C@H](NC(=S)Nc1ccc(Br)cc1Cl)[C@H]1CCCO1 8221284 CFIJOJVWUDNHAA-QPUJVOFHSA-N 363.708 3.956 0 40 FHAB C[C@@]1(CCc2ccccc2)NC(=O)N(CCOc2cccc(Cl)c2)C1=O 8389348 BHLLBPQJYJURHZ-FQEVSTJZSA-N 372.852 3.662 0 40 FHAB CCOc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)O2)cc1OCC 96635039 XQHGVHRKALYAFO-LFIBNONCSA-N 355.365 3.968 0 40 FHAB CC(=O)c1cccc(NC(=O)[C@H](C)Oc2c(F)c(F)cc(F)c2F)c1 8748447 UCBOLFFNHYXTRI-VIFPVBQESA-N 355.287 3.852 0 40 FHAB Cc1cc(NC(=O)[C@H](Nc2ccc3c(c2)OCO3)c2ccccc2)no1 8707838 GAWSAXAUJAVJGH-GOSISDBHSA-N 351.362 3.504 0 40 FHAB Cc1ccc(OCc2nc(CC(=O)Nc3cc(C)ccn3)cs2)cc1 9156102 QTXQUTSRHITBII-UHFFFAOYSA-N 353.447 3.915 0 40 FHAB CCOC(=O)c1nc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)oc1C 97101484 QCUXMHBCDVSMTO-ZDUSSCGKSA-N 374.437 3.863 0 40 FHAB CN(C)CC1CCN(c2ccc(NC(=O)[C@@H]3CC34CCCC4)cc2)CC1 72310261 JKDGTLKNLXKTRU-FQEVSTJZSA-N 355.526 3.983 0 40 FHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 95963953 RAOOXEXJBWPTFX-INIZCTEOSA-N 353.422 3.535 0 40 FHAB CC(C)c1n[nH]c(-c2nn3c(C(C)C)nnc3s2)c1Br 72401772 QLKDESPSBMWGJW-UHFFFAOYSA-N 355.265 3.585 0 40 FHAB C[C@@H](CC1CCOCC1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 95995887 PFOMGEWYUKZWKV-YVEFUNNKSA-N 371.308 3.894 0 40 FHAB COc1ccc(OC(=O)CSc2nnc(-c3cccc(C)c3)o2)cc1 21790557 PUTDMHLTJVTIDW-UHFFFAOYSA-N 356.403 3.751 0 40 FHAB CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)NC1=S 409085166 YVMFXWMOMQXQLN-PDGQHHTCSA-N 370.449 3.872 0 40 FHAB CCCCOc1ccc(C(=O)OCC(=O)N2CCc3ccccc3C2)cc1 67197662 BNOVUEMNCXAUQH-UHFFFAOYSA-N 367.445 3.607 0 40 FHAB COc1ccccc1NC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1C 35289549 UAPHPBATWNLFRH-KRWDZBQOSA-N 353.422 3.639 0 40 FHAB CC1(C)O[C@@](C)(C(O)(c2ccccc2)c2ccccc2)CC[C@@H]1C(=O)O 3845820 AVAHQCHXGWDAEX-WIYYLYMNSA-N 354.446 3.971 0 40 FHAB biogenic COc1ccc(S[C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)cc1OC 38757122 SJTSUAGTLAEIDO-LBPRGKRZSA-N 374.462 3.782 0 40 FHAB Cc1nccn1Cc1ccc(C(=O)NCCOc2ccccc2Cl)cc1 225299161 JENICFMHHHTUFB-UHFFFAOYSA-N 369.852 3.702 0 40 FHAB CCOC(=O)c1cc(C(=O)C(C)(C)C)nn(-c2ccc(C(C)C)cc2)c1=O 225968935 RMWODUWIDZLIBD-UHFFFAOYSA-N 370.449 3.761 0 40 FHAB Cc1cc(C)c2c(=O)ccn(CC(=O)NCc3ccccc3Cl)c2c1 225753683 ZTXBBWUJFIKTJQ-UHFFFAOYSA-N 354.837 3.588 0 40 FHAB O=C(NCc1cccnc1-c1ccsc1)c1cccc(-n2cccn2)c1 225648097 NQEZWMVHCGFSJD-UHFFFAOYSA-N 360.442 3.926 0 40 FHAB CCOc1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 192705607 DYQDRDAOVFSHMC-UHFFFAOYSA-N 368.458 3.872 0 40 FHAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2ccc3ccccc3n2)cc1 40121967 RFPVZPUCVFQXOR-OAHLLOKOSA-N 361.445 3.693 0 40 FHAB COc1ccccc1OCC(=O)Nc1ccc(CN2CCC[C@@H](C)C2)cc1 46934246 NUYDWTNOEDLVJG-QGZVFWFLSA-N 368.477 3.945 0 40 FHAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C)cc2C)c1 222603218 FKCVULFDGOIBOB-HZPDHXFCSA-N 357.450 3.965 0 40 FHAB CC(=O)N(c1nc(C)c(C(=O)Nc2ccc3[nH]ccc3c2)s1)C(C)C 40285134 LKHYUJRYZVESDR-UHFFFAOYSA-N 356.451 3.946 0 40 FHAB CCOc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1COCC(C)C 224739577 MYURPJVWFKGMRV-UHFFFAOYSA-N 370.449 3.609 0 40 FHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 223002699 UHMVEGNSEIJGSR-MOPGFXCFSA-N 370.522 3.617 0 40 FHAB CC(=O)Nc1cccc(NC(=O)c2snnc2-c2ccc(C)cc2)c1 225776401 RFTUUFPVZCSNTN-UHFFFAOYSA-N 352.419 3.724 0 40 FHAB COc1cc(Oc2ccccc2)nc(NC(=S)NCc2ccc(C)o2)n1 225914329 ZORGMNLIRSXOQA-UHFFFAOYSA-N 370.434 3.666 0 40 FHAB COc1ccc(CCC(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1 225316182 QIJMMPZVTKXBRN-UHFFFAOYSA-N 357.450 3.740 0 40 FHAB Cc1ccccc1C(=O)N1CC[C@]2(C[C@@H]2C(=O)Nc2cccc(F)c2)C1 96227244 WJOCFDGXEKMJNZ-NQIIRXRSSA-N 352.409 3.625 0 40 FHAB Cc1ccc(N2CCCc3sc(C(=O)Nc4ccc(F)cc4)nc32)nn1 96037462 WAKBQDHDRDDYEP-UHFFFAOYSA-N 369.425 3.717 0 40 FHAB O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(Cc2cnoc2C2CC2)C1 583615377 CXZPSZZJAPBRFK-JKSUJKDBSA-N 352.356 3.879 0 40 FHAB O=C1CCCC[C@H]1[C@H]1CCCCCN1C(=O)CCn1cnc2ccccc21 333320552 KZZBOJNAGAUTEB-PKOBYXMFSA-N 367.493 3.957 0 40 FHAB Cc1cnccc1N1CCCN(C(=O)Nc2ccc3ncsc3c2)CC1 96132742 WLQPXSPIFZFSAO-UHFFFAOYSA-N 367.478 3.744 0 40 FHAB COc1cccc(Cc2cnc([C@@H]3CCCN3C(=O)c3ccncc3)o2)c1 257236308 HBOAKOIDNMORPY-IBGZPJMESA-N 363.417 3.646 0 40 FHAB Cc1cc2c(CCNC(=O)c3ccc(NCC4CC4)nc3)c[nH]c2cc1F 1301678280 GFAZICUQUSSRSG-UHFFFAOYSA-N 366.440 3.805 0 40 FHAB CN(Cc1ccccc1)[C@@H]1CCN(c2nnc(-c3ccccc3)s2)C1 608092630 ABRDULLSLGCHLD-GOSISDBHSA-N 350.491 3.916 0 40 FHAB Cc1noc(C)c1COc1ccccc1C(=O)NCCN(C(C)C)C(C)C 27458846 POAHRZZQXUIWMP-UHFFFAOYSA-N 373.497 3.719 0 40 FHAB Cc1ccc(OC[C@@]2(O)CCCN(Cc3ccc(O)cc3)CC2)c(C)c1 585272447 IUTOKCFSYFYTCO-JOCHJYFZSA-N 355.478 3.805 0 40 FHAB Cc1nc(C)c(C(=O)N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)s1 1776009609 MBCSCOCRMUHWKQ-STQMWFEESA-N 350.875 3.618 0 40 FHAB CC1(C)C[C@@]2(CCCN2C(=O)c2cscn2)CN1c1ccc(F)cc1 1615123798 VNARJWGRRISPOK-IBGZPJMESA-N 359.470 3.946 0 40 FHAB COc1ccc(NC(=O)COc2cccc3ccc(C)nc23)cc1OC 5198670 UWARHWMSGVBAQO-UHFFFAOYSA-N 352.390 3.578 0 40 FHAB COc1ccc(CC(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 5880007 PQMREQHUVQJHAW-UHFFFAOYSA-N 368.216 3.726 0 40 FHAB C=C(Nc1ccc(OC)cc1OC)c1nn(-c2ccc(C)cc2)ccc1=O 12062988 FCGRNDAABXHMDT-UHFFFAOYSA-N 363.417 3.641 0 40 FHAB CC(C)CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Cc1cccc2ccccc12 12908100 QBVFMXMKJXLQCS-DLBZAZTESA-N 354.494 3.828 0 40 FHAB Cc1nc(-c2ccc(CCNC(=O)COc3ccc(F)cc3)cc2)cs1 14673441 WVXAXYJBWQQBFQ-UHFFFAOYSA-N 370.449 3.995 0 40 FHAB Cc1csc([C@H](Cc2ccsc2)NC(=O)[C@@H](C)n2nccc2C)n1 19238317 LSZYFXWSWSVKAD-HIFRSBDPSA-N 360.508 3.679 0 40 FHAB Cc1cccn2cc(C(=O)Nc3ccccc3OCc3ccccn3)nc12 19718794 CDKHIXHFXGHOAX-UHFFFAOYSA-N 358.401 3.869 0 40 FHAB COc1cc(NC(=O)c2cccc3ccccc23)cc2sc(NN)nc12 226311522 YARYJUQXBBWLDN-UHFFFAOYSA-N 364.430 3.996 0 40 FHAB Cc1sc(N2CCOCC2)nc1-c1ccc(NC(=O)C(C)(C)C)cc1 18941237 RHTWPRSHEBDQAK-UHFFFAOYSA-N 359.495 3.940 0 40 FHAB Cc1ccc2cc(CCNC(=O)c3cccc(C(F)(F)F)c3)c(=O)[nH]c2c1 4032831 ZAOYTEIYGFWCEF-UHFFFAOYSA-N 374.362 3.828 0 40 FHAB C[C@@H](Cc1csc2ccccc12)NS(=O)(=O)c1ccc2c(c1)CCO2 575620224 JEDTTWDFEIYGEG-ZDUSSCGKSA-N 373.499 3.746 0 40 FHAB Cc1ccc(NC(=O)c2cn(-c3cccc(Br)c3)nn2)cc1 31872709 KNNBBDMSBZSBQW-UHFFFAOYSA-N 357.211 3.591 0 40 FHAB CCCOc1ccc(N2C(=O)C[C@H](Nc3ccc(SC)cc3)C2=O)cc1 32771815 KAACUKXNDHMWNM-SFHVURJKSA-N 370.474 3.941 0 40 FHAB O=C(COc1ccccc1)Nc1ccccc1-c1nc(-c2ccccn2)no1 22460274 SEDZTKCTBOWWRV-UHFFFAOYSA-N 372.384 3.816 0 40 FHAB c1ccc(CN2CCN(c3ncnc4sc5c(c34)CCCC5)CC2)cc1 54290315 IDPWVWUGBLEEFH-UHFFFAOYSA-N 364.518 3.892 0 40 FHAB CC1(C)C[C@]2(CCO1)OC(=O)C[C@@H]2C(=O)Nc1ccc(Cl)c(Cl)c1 1080442 NOZRZTYSEBUEFS-DIFFPNOSSA-N 372.248 3.823 0 40 FHAB O=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc(-c2ccccc2)cc1 806170 CEWSAKHHYHSYMS-UHFFFAOYSA-N 367.426 3.926 0 40 FHAB Cc1cccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1 856749 ZPHWBMFZZUNXAS-UHFFFAOYSA-N 352.486 3.904 0 40 FHAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)CN2CCCCC2)[C@@H]3CCC1 1422576 GSHKTTHBEVRVCK-HXUWFJFHSA-N 351.494 3.655 0 40 FHAB COc1ccc(OCCSc2nnc(-c3ccc(F)cc3)n2C)cc1 2640589 PGYOWRDMPZCAEN-UHFFFAOYSA-N 359.426 3.801 0 40 FHAB CCn1cc(-c2ccnc(SCC(=O)Nc3ccccc3C)n2)c(C)n1 2731852 HQLJUSICUDGWOO-UHFFFAOYSA-N 367.478 3.708 0 40 FHAB CCn1cc(Cl)c(-c2nnc(-c3ccc(OC(F)F)c(OC)c3)o2)n1 2805169 ASFMQJMIJWGDMO-UHFFFAOYSA-N 370.743 3.883 0 40 FHAB O=C(N[C@@H]1SC(c2ccccc2)=N[C@]1(O)c1ccccc1)c1ccccc1 3124428 HIMKAGWZUKMDFI-YADHBBJMSA-N 374.465 3.781 0 40 FHAB COc1cc(/C=C/C(=O)OCC(=O)Nc2ccccc2C(C)C)ccc1O 3230122 HPLKZKALGYAGCC-PKNBQFBNSA-N 369.417 3.719 0 40 FHAB COc1cccc(OC)c1C(=O)N1CCN=C1SCc1ccc(C)cc1 4120366 SKICQWRCQIHSMQ-UHFFFAOYSA-N 370.474 3.757 0 40 FHAB Cc1ccc(OCc2nn(CC(=O)c3cccs3)c(=N)s2)cc1C 4592788 JEZFHYYCLHPNRL-UHFFFAOYSA-N 359.476 3.564 0 40 FHAB C[C@H](NC(=O)c1ccc(Br)cc1)c1ccc(-n2cncn2)cc1 5245768 LBABFTMTRBBVFF-LBPRGKRZSA-N 371.238 3.521 0 40 FHAB Cn1c(O)c(C(=O)Nc2ccccc2C(F)(F)F)c(=O)c2ccccc21 6211764 KTLYACOYFRMUIH-UHFFFAOYSA-N 362.307 3.515 0 40 FHAB Cc1cccc(OCCCC(=O)Nc2ccccc2N2CCOCC2)c1 6333533 VFLACZSALAGRHK-UHFFFAOYSA-N 354.450 3.629 0 40 FHAB CN(C)C(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 6430174 BRANSCDLPYITOL-UHFFFAOYSA-N 372.534 3.566 0 40 FHAB O=C(O)c1ccccc1-c1ccc(/C=N\NC(=S)Nc2ccccc2)o1 7095464 CDHXOAWZLNYEFA-NDENLUEZSA-N 365.414 3.965 0 40 FHAB C[C@H](Oc1ccc(C(N)=O)cc1)C(=O)Nc1ccccc1-c1ccccc1 7191794 XYAQTCWNXWFDBO-HNNXBMFYSA-N 360.413 3.859 0 40 FHAB CCNc1c(NS(=O)(=O)c2ccc(CC)cc2)c(=O)oc2ccccc12 7363318 SCSKJDOHOKGUAC-UHFFFAOYSA-N 372.446 3.588 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccc(N(C)C)cc1 7438400 SFVPEZMEJYPVFE-CQSZACIVSA-N 350.418 3.971 0 40 FHAB COc1cc(CNC(=S)Nc2cc(C)cc(C)c2)cc(OC)c1OC 7500742 LEWGZJCZIPEVQU-UHFFFAOYSA-N 360.479 3.816 0 40 FHAB O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1ccc(F)cc1F 7927222 HNMWNVCFIIVWER-CQSZACIVSA-N 366.433 3.646 0 40 FHAB CC(=O)N[C@@H]1C(=O)N(CCCOc2ccc(Cl)cc2)c2c(C)cccc21 8047609 ULGFZJXSENHIIT-SFHVURJKSA-N 372.852 3.641 0 40 FHAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)N(C)Cc1ccsc1 8558958 MOBXHMGMRXOHCP-UHFFFAOYSA-N 370.430 3.527 0 40 FHAB Cn1nc(C(F)(F)F)c(CNC(=O)c2ccco2)c1Oc1ccccc1 8873589 XTKBWYBHIWMKAT-UHFFFAOYSA-N 365.311 3.754 0 40 FHAB O=C(NC[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccccc1Cl 9039943 RFRWHJGHCLQAQN-LBPRGKRZSA-N 361.804 3.654 0 40 FHAB COc1ccc(CN(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1F 9113343 YRFGPMJQQAZYMD-UHFFFAOYSA-N 370.346 3.924 0 40 FHAB CC(C)[C@H](Sc1nncn1-c1ccccc1)C(=O)NCc1ccccc1 9117998 BTPALFVMNNQQEQ-SFHVURJKSA-N 366.490 3.700 0 40 FHAB C[C@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)Nc1ccccc1Cl 9499715 KOXARGKARUHUQP-VIFPVBQESA-N 353.205 3.760 0 40 FHAB Cc1cccc(CCCNS(=O)(=O)c2ccc(Br)s2)c1 10110735 VENILICQCLOEFR-UHFFFAOYSA-N 374.325 3.730 0 40 FHAB Cc1ccc2c(c1)c(C)c(C(=O)NCc1nc(-c3ccccc3)no1)n2C 12148633 XNTFRLCBXXLAAZ-UHFFFAOYSA-N 360.417 3.775 0 40 FHAB Cc1cc(C(=O)N2CCC(c3nn(C)c4ncccc34)CC2)sc1C 12186769 SGSOZNOJLMLHKP-UHFFFAOYSA-N 354.479 3.666 0 40 FHAB COc1ccc(CN2CCC(O)(c3ccccc3C)CC2)cc1CN(C)C 12188741 NHNBLSWSXDBSEL-UHFFFAOYSA-N 368.521 3.549 0 40 FHAB c1coc(CN2COc3cc4c(cc3C2)OCN(Cc2ccco2)C4)c1 12374908 CTESOIHYWDMMTL-UHFFFAOYSA-N 352.390 3.577 0 40 FHAB COc1cccc(NC(=O)CN(C)Cc2ccccc2N2CCCCC2)c1 12563536 DBZYVEKGZJKWQV-UHFFFAOYSA-N 367.493 3.756 0 40 FHAB CC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 12604935 SURSUXVNDYMUNJ-OAHLLOKOSA-N 360.479 3.633 0 40 FHAB COc1ccc(CC(=O)OCc2cc(-c3ccccc3)no2)cc1OC 12791530 KBXVTZHVKLIWMI-UHFFFAOYSA-N 353.374 3.645 0 40 FHAB COc1ccccc1CN(C)C(=O)c1cc2cnn(C(C)C)c2nc1C 12817260 SZVRCMQSZYYKPZ-UHFFFAOYSA-N 352.438 3.601 0 40 FHAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)CNC(=O)C(C)(C)C)n1 12933940 LVXBHFRLBRIQJE-UHFFFAOYSA-N 370.478 3.701 0 40 FHAB COC(=O)c1cccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c1 12938728 HGQMFMKUQBUHEF-UHFFFAOYSA-N 351.402 3.564 0 40 FHAB COc1cc(CC(=O)N(C)[C@H]2CCCc3ccccc32)cc(OC)c1OC 12977018 KWNWOYVVFNZDDX-SFHVURJKSA-N 369.461 3.791 0 40 FHAB Cc1ccc(NC(=O)c2nn(-c3ccccc3)nc2C)c(Br)c1 13015863 QUPMOTJIEMATJX-UHFFFAOYSA-N 371.238 3.899 0 40 FHAB O=c1[nH]c2ccc(NC(=S)Nc3ccc(Cl)cc3Cl)cc2[nH]1 13479199 QJGMZHSFFBGEBD-UHFFFAOYSA-N 353.234 3.972 0 40 FHAB O=C(Nc1ccccc1)C1CCN(Cc2nc(-c3cccs3)no2)CC1 14022876 UCPLSWANGBEGGX-UHFFFAOYSA-N 368.462 3.649 0 40 FHAB Cc1ccc(C)c(OCCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 14139555 PGMTWQXLSXOYKY-UHFFFAOYSA-N 372.490 3.750 0 40 FHAB COc1cccc(/C=C2\C(=O)N(Cc3ccco3)SC2=S)c1OC 17064534 BOCNMUWMPRSEBB-UKTHLTGXSA-N 361.444 3.698 0 40 FHAB COc1ccc(-c2nnc(NC(=O)/C=C/c3ccccc3)s2)cc1OC 17208414 KRTJIFISWQGBFI-DHZHZOJOSA-N 367.430 3.874 0 40 FHAB CCC(=O)N1CC[C@@](Cc2ccccc2-c2cccc(C)c2)(C(=O)NC)C1 19498452 WSLCUXOVJRIMRB-QHCPKHFHSA-N 364.489 3.579 0 40 FHAB Cc1nc(N2CCOCC2)sc1CN1CCC[C@H]1c1cccc(F)c1 19658654 PASZRYHNDAGLNI-KRWDZBQOSA-N 361.486 3.764 0 40 FHAB Cc1cc2cc(NC(=O)C3(Cc4ccccn4)CCOCC3)ccc2n1C 19699730 ZYNLDCXNIRTRSB-UHFFFAOYSA-N 363.461 3.860 0 40 FHAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccccc1Cn1cccn1 19719182 XUUGBZHVDKYVOI-UHFFFAOYSA-N 373.378 3.923 0 40 FHAB C[C@@H](Oc1ccccc1F)C(=O)Nc1noc(-c2ccc(Cl)cc2)n1 21800630 OBAMDXVMGHAUMH-SNVBAGLBSA-N 361.760 3.935 0 40 FHAB COc1ccc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1OC 22508732 HYVGFTORPPMCOV-LLVKDONJSA-N 361.419 3.552 0 40 FHAB CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccc(C)cc2)c(Cl)c1 22524371 XKCYYTNRQGPWBK-UHFFFAOYSA-N 367.854 3.767 0 40 FHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1ncccc1Cl 24993047 MAQNMOKLZUKBIE-UHFFFAOYSA-N 364.854 3.605 0 40 FHAB CC(C)(CNC(=O)c1sc2cc(F)ccc2c1Cl)N1CCOCC1 25748029 MHGIPGTXGKGTPZ-UHFFFAOYSA-N 370.877 3.534 0 40 FHAB C[C@@H](NC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1)c1cccs1 26244349 RQBGYRHDYSKERD-ZIAGYGMSSA-N 355.467 3.792 0 40 FHAB O=C(CN1CCCc2cc(F)cc(F)c21)Nc1ccccc1OC(F)F 26726128 YBOCYDKSGFEAOC-UHFFFAOYSA-N 368.330 3.958 0 40 FHAB C[S@](=O)c1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 27379502 NZDCLMXVRSRHHE-PVPMGCCUSA-N 368.458 3.585 0 40 FHAB CCOC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 28253976 TZZMDDSDOCZYDB-UHFFFAOYSA-N 361.463 3.568 0 40 FHAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H]2COc3ccccc3O2)cc1 30863303 NWADOYHXWGLEBJ-YLJYHZDGSA-N 355.434 3.739 0 40 FHAB Cc1ccn2c(=O)cc(COc3ccc(Cl)c4c3C(=O)C[C@@H]4C)nc2c1 31871067 YKMQZTCNIIMBPY-LBPRGKRZSA-N 368.820 3.925 0 40 FHAB COCCn1c(SCC(=O)Nc2ccc(Cl)cc2)nc(C)c1C 32893921 CNRLIXXYMMVRSK-UHFFFAOYSA-N 353.875 3.531 0 40 FHAB CCc1ccccc1NC(=O)C1CCN(C(=O)NCc2ccccc2)CC1 35313168 BMAXBNJTOZSABU-UHFFFAOYSA-N 365.477 3.809 0 40 FHAB CC(C)(C)C[C@H](NC(=O)C1CCN(c2ncccn2)CC1)c1ccccc1 40134265 FXENYDLIECEBHS-IBGZPJMESA-N 366.509 3.987 0 40 FHAB O=C(N[C@H]1CCSc2ccccc21)c1ccc2c(O)[nH]c(=S)nc2c1 47109207 GUPFIRYZSLXFJC-ZDUSSCGKSA-N 369.471 3.965 0 40 FHAB CCC(=O)N[C@H](CCSC)C(=O)N[C@@H](C)c1ccc2ccccc2c1 54057706 MXGLUMOFUQEJSP-KBXCAEBGSA-N 358.507 3.665 0 40 FHAB CCN(CC)CCN(Cc1ccccc1)C(=O)NCc1ccc(F)cc1 57985620 XRHSHSQCDGGXKQ-UHFFFAOYSA-N 357.473 3.879 0 40 FHAB Cc1ccc(NC(=O)N[C@@H](Cn2cncn2)c2ccccc2)cc1Cl 58316836 LLJBXVYEPQGTKM-KRWDZBQOSA-N 355.829 3.803 0 40 FHAB O=C(/C=C/c1ccccc1OC(F)F)Nc1ccn(Cc2ccncc2)n1 58438474 DHXSUJRYZURTFU-AATRIKPKSA-N 370.359 3.580 0 40 FHAB O=C(c1cc(-c2ccccc2)on1)N1CC[C@H](c2ccc3c(c2)OCO3)C1 62330177 SJTGZBDFSHGGJD-INIZCTEOSA-N 362.385 3.700 0 40 FHAB C[C@@H](C(=O)NC1CCCC1)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 65476116 YWCPAEGZPYOVDC-AWEZNQCLSA-N 362.901 3.682 0 40 FHAB COc1ccc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cc1OC 71287695 BLJOCIYSWOLQNG-UHFFFAOYSA-N 374.400 3.894 0 40 FHAB Cn1cc(CN2CCC(c3cccc(Cc4ccc(F)cc4)n3)CC2)cn1 72349976 FWJVDBASXKDNGB-UHFFFAOYSA-N 364.468 3.925 0 40 FHAB CCOC(=O)C1CCN(c2ncc(-c3ccco3)c(-c3ccco3)n2)CC1 72396576 PBYYRFHEGTVTQP-UHFFFAOYSA-N 367.405 3.776 0 40 FHAB C[C@H]1CCN(C(=O)COc2ccc3c(c2)CCC(=O)N3)[C@H](c2ccco2)C1 75389035 ROVXEUKTNQQSOD-KSSFIOAISA-N 368.433 3.543 0 40 FHAB CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)Nc1cccc(F)c1 79111385 UOTHMJWRYFTFIJ-SFHVURJKSA-N 353.438 3.887 0 40 FHAB Cc1cc(C)n(-c2cccc(C(=O)N3CCO[C@H](c4ccccc4)C3)c2)n1 79481881 DPDPZCMQVLVZPS-NRFANRHFSA-N 361.445 3.703 0 40 FHAB O=C(CCc1ccccc1OC(F)(F)F)N[C@@H]1CCCCC[C@@H]1CO 95426723 MYVASNYXCCYSOK-HUUCEWRRSA-N 359.388 3.575 0 40 FHAB COCc1nc(C)c(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)s1 95976080 IBHFNMVQALQQSR-UHFFFAOYSA-N 368.462 3.525 0 40 FHAB O=C(NCCCCCc1nc2ccccc2[nH]1)c1c[nH]c(=O)c2ccccc12 96118762 CTKCWZWDEDEWKG-UHFFFAOYSA-N 374.444 3.547 0 40 FHAB COc1ccc(C(=O)N[C@H]2CCCc3c2[nH]c2ccc(OC)cc32)cc1 96220909 ZMVRFYRDMZULJW-IBGZPJMESA-N 350.418 3.993 0 40 FHAB biogenic FC(F)(F)C(F)(F)c1ccc(Cl)nc1I 96308568 ANHNBQBOIXDNBJ-UHFFFAOYSA-N 357.447 3.994 0 40 FHAB CCSC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 98043868 OUXUHWHQQLGDQE-GOSISDBHSA-N 371.458 3.731 0 40 FHAB COc1cccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@H](C4)[C@H]23)c1O 100872131 ZSRYUSRGJUITDT-CRTLLFTMSA-N 361.488 3.803 0 40 FHAB CCOc1cc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ncnn32)ccc1O 102656879 NQVRWBTXIFQKTI-KRWDZBQOSA-N 354.410 3.690 0 40 FHAB COC(=O)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]2[C@@H]2CC[C@@H]3C2)cc1 102784929 XYEPZFXWJXPTAL-ZSAUSMIDSA-N 373.499 3.875 0 40 FHAB Cc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCC[C@@H](C)C2)cc1 102850316 XARUODAQLZYQDO-CZUORRHYSA-N 356.495 3.935 0 40 FHAB CCN1CCC[C@@H]1CN[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 103952039 XFYNEJAINDSACU-IEBWSBKVSA-N 367.493 3.880 0 40 FHAB COc1ccc(CSCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 222657523 QTOBJQSUIQICEU-CQSZACIVSA-N 373.474 3.577 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)NCCSc1ccc(C)cc1 223464722 LXYRDDVOYIFQGI-UHFFFAOYSA-N 371.911 3.728 0 40 FHAB CCOc1ccc(CNS(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1 223667396 UWGPFASWISMLFF-UHFFFAOYSA-N 371.458 3.726 0 40 FHAB Cc1ccc(OCCNC(=O)/C=C/c2ccc3c(c2)OCO3)cc1Cl 224117128 KEGVEVOLQZWXMP-QPJJXVBHSA-N 359.809 3.586 0 40 FHAB COC[C@H](C)NC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2)c1 224200170 GRHSLCGGRSTGDK-INIZCTEOSA-N 357.450 3.656 0 40 FHAB CCN(c1ccccc1Br)S(=O)(=O)c1ccc(C)cc1 224684684 BCDTUUORJZZEOY-UHFFFAOYSA-N 354.269 3.973 0 40 FHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 225209953 RFTVJUAEMTVENK-IAGOWNOFSA-N 370.468 3.700 0 40 FHAB CCCO[C@]1(C(=O)Nc2ccc(OCCOC)nc2C)CCC[C@@H](C)C1 225911217 RGYWMTWIWUGGGB-FOIQADDNSA-N 364.486 3.729 0 40 FHAB Fc1cccc(CN2[C@H]3CC[C@H]2c2cnc(N4CCCC4)nc2C3)c1F 247523985 MLWKHMSFEJGEQD-KSSFIOAISA-N 356.420 3.617 0 40 FHAB O=C(c1cnccn1)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257298515 RMAURQHSSYCSNW-KRWDZBQOSA-N 368.824 3.686 0 40 FHAB CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC 409230391 CSSITHSFGCEYMF-XNTDXEJSSA-N 372.808 3.845 0 40 FHAB COc1c[nH]c(C(=O)Nc2cccc3c2ccn3Cc2ccccc2)cc1=O 524732754 ZMTFSRMUISDSNC-UHFFFAOYSA-N 373.412 3.639 0 40 FHAB COc1cccc(C)c1NC(=O)N1CCN(c2cccc3[nH]ccc23)CC1 529080132 HIZORMLFKSVQQI-UHFFFAOYSA-N 364.449 3.839 0 40 FHAB COc1cccc(-c2nn(C(C)(C)C)cc2CN[C@H](C)c2noc(C)n2)c1 585084719 ZPYNSEHRQITWRS-CYBMUJFWSA-N 369.469 3.856 0 40 FHAB Cc1ccccc1CN1CCc2oc(C(=O)N3C[C@H](C)C[C@@H](C)C3)nc2C1 585111844 HPNJJDHKRLHMGD-HZPDHXFCSA-N 367.493 3.659 0 40 FHAB Cc1cc2nccc([C@@]3(C)CCCN3C(=O)Cc3c[nH]c4ccccc34)n2n1 585182398 IHTRXULCEOUXOV-JOCHJYFZSA-N 373.460 3.599 0 40 FHAB C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)Nc2ccccc2)C1=O 651978248 MMXDPPISTAHJLH-KDOFPFPSSA-N 355.413 3.699 0 40 FHAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2ccc(O)nc2)N1c1ccc(F)cc1 1615124407 WVYFKAMTNGREGC-ROUUACIJSA-N 369.440 3.588 0 40 FHAB Brc1ccc2ccc(N3CC(COc4cccnc4)C3)nc2c1 2298229050 BDCUZYZCKATAOY-UHFFFAOYSA-N 370.250 3.908 0 40 FHAB COc1cccc(CNC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)c1 12554300 BNIIRJUGSYBQKQ-UHFFFAOYSA-N 357.410 3.613 0 40 FHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 667453 WFGMSLUKFSBFEX-CYBMUJFWSA-N 354.834 3.687 0 40 FHAB CCC(=O)c1cn(CC(=O)Nc2cc(OC)ccc2OC)c2ccccc12 811917 VFWQGOWCLVFQHX-UHFFFAOYSA-N 366.417 3.890 0 40 FHAB COc1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2)o1 853607 ZFKCVESDYAHAPQ-UHFFFAOYSA-N 355.419 3.784 0 40 FHAB Cc1ccc(C(=O)CSc2nnc(CNc3ccc(F)cc3)n2C)cc1 874040 RFDBLUIYZYXNJW-UHFFFAOYSA-N 370.453 3.850 0 40 FHAB COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccco2)cc1OC 933359 IGEJCDWXWMSPJG-UHFFFAOYSA-N 366.373 3.801 0 40 FHAB Cc1cc(=O)c2ccccc2n1CC(=O)Nc1ccc(Br)cc1 1297004 FRBWEOLSEAIUDT-UHFFFAOYSA-N 371.234 3.711 0 40 FHAB CCC(CC)C(=O)N1CCC[C@@H](c2nc(-c3cccc(OC)c3)no2)C1 1360412 QFFPJXCUYBEJAV-MRXNPFEDSA-N 357.454 3.887 0 40 FHAB CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccccc4)ccc1c23 1463320 PJZOSSPBYSARQG-UHFFFAOYSA-N 352.415 3.621 0 40 FHAB S=C(NC[C@@H]1CCCO1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 6210585 QAEUTMWFGIFNJU-HNNXBMFYSA-N 352.463 3.695 0 40 FHAB CC1CCC2(CC1)NC(=O)N(CN(C)CC13CC4CC(CC(C4)C1)C3)C2=O 57358950 ADSMDMSIAJFHPA-UHFFFAOYSA-N 373.541 3.593 0 40 FHAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccccc2)c(=O)c1C 57528130 IWDVJFSEMTYHSZ-UHFFFAOYSA-N 367.836 3.819 0 40 FHAB O=c1/c(=C/c2ccc(Cl)cc2)sc2nc(/C=C/c3ccccc3)nn12 27021695 PTFZDIBRXFMRFS-NJAVVXAXSA-N 365.845 3.523 0 40 FHAB CNC(=O)c1ccccc1NC(=O)c1sc(-c2ccsc2)nc1C 27401573 BMGAIBULXKMMSX-UHFFFAOYSA-N 357.460 3.792 0 40 FHAB O=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1 8470170 VMTHODLHEKYFSI-UHFFFAOYSA-N 374.396 3.818 0 40 FHAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccc(OC)c3)cc21 8959482 RRXRWOKNYNFVTD-UHFFFAOYSA-N 368.433 3.719 0 40 FHAB C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCc2sccc2C1 10107068 QOHPRISRXNMEQI-NSHDSACASA-N 352.406 3.735 0 40 FHAB O=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F 9995096 UZFXWWYCAJOXSB-UHFFFAOYSA-N 356.731 3.614 0 40 FHAB Cc1noc([C@H]2CCCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)C2)n1 54661593 SOJBSGAZYKJJNX-ZDUSSCGKSA-N 363.845 3.595 0 40 FHAB Cc1noc(C)c1CCC(=O)Nc1cccc(NC(=O)c2ccco2)c1 11181828 LXQGUAGBMRLTGF-UHFFFAOYSA-N 353.378 3.708 0 40 FHAB C[C@H](OC(=O)c1ccc(NC(=O)C2CC2)cc1)C(=O)c1ccc(F)c(F)c1 11837895 CTSFDBLXECQUBX-NSHDSACASA-N 373.355 3.742 0 40 FHAB COC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(C)c(F)c2)on1 11916869 BMJVTSBZNDTGBW-UHFFFAOYSA-N 354.337 3.828 0 40 FHAB CC(=O)N[C@@H](CC(=O)Nc1nc2ccc(C)cc2s1)c1ccccc1 2648553 ADVKVEAWEMUWHB-INIZCTEOSA-N 353.447 3.811 0 40 FHAB CCn1nc(C)c2c(C(=O)Nc3cc(Cl)ccc3OC)cc(C)nc21 28222246 HYZFDEJUAXPTAD-UHFFFAOYSA-N 358.829 3.982 0 40 FHAB O=S(=O)(NCCc1cccc(Cl)c1)c1ccc(Br)cc1 2736709 SLGGREWAABGWFG-UHFFFAOYSA-N 374.687 3.624 0 40 FHAB Cc1c(Br)cnn1CC(=O)NC1CCC(C(C)(C)C)CC1 2782362 QNTZODWSULOMGP-UHFFFAOYSA-N 356.308 3.675 0 40 FHAB CCNC(=O)c1ccc(CNC(=O)c2ccc3c4c(cccc24)CC3)cc1 47141882 RTEZKXIYSRHAKF-UHFFFAOYSA-N 358.441 3.618 0 40 FHAB COc1cc(-c2nnc(-c3nn(C)c(C)c3Cl)o2)ccc1OC(F)F 2804832 OQVVVBIFKZOAFS-UHFFFAOYSA-N 370.743 3.709 0 40 FHAB O=C(C[C@H]1Sc2ccccc2NC1=O)NCCc1ccc(Cl)cc1 3027455 MDTJFNFVJWAWKY-MRXNPFEDSA-N 360.866 3.502 0 40 FHAB Cc1cccc(C(=O)NCCC(=O)Nc2nc(-c3cccs3)cs2)c1 12786192 IZVMSDRICVJVRV-UHFFFAOYSA-N 371.487 3.939 0 40 FHAB CCCCN(C)c1ncc(Cl)c(C(=O)N2c3ccccc3C[C@H]2C)n1 48313337 ASLGJSHREDKOFL-CYBMUJFWSA-N 358.873 3.958 0 40 FHAB O=C(NCCOc1ccccc1)c1ccc(NC(=O)c2cccs2)cc1 12861803 UAWYJGZPQNDTTN-UHFFFAOYSA-N 366.442 3.809 0 40 FHAB C/C=C/c1cc(C(=O)NCCc2ccc(OC)cc2)cc(OC)c1OC 12845923 SNNBZZOVPKMMCB-AATRIKPKSA-N 355.434 3.718 0 40 FHAB O=C1C[C@@H](c2nc(-c3cccs3)no2)CN1Cc1ccc(Cl)cc1 23114822 OIVIXDOFWHDYRM-GFCCVEGCSA-N 359.838 3.968 0 40 FHAB OCc1nc2ccccc2n1C[C@H](O)COc1ccc(-c2ccccc2)cc1 21473944 LPYUEHCJZBSMFE-IBGZPJMESA-N 374.440 3.636 0 40 FHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1nc2c(s1)CCCC2 12979228 ASPXZLVTCAFVJO-QGZVFWFLSA-N 367.474 3.925 0 40 FHAB CSc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1 13033077 VHFFOGQISAUXBI-UHFFFAOYSA-N 357.840 3.561 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1 13042456 XMSQZRVRONIYCB-UHFFFAOYSA-N 358.385 3.881 0 40 FHAB COc1cc(OC)cc(-c2nnc(S)n2-c2cccc3ncccc23)c1 13571032 OMGXGTQTTDAFQR-UHFFFAOYSA-N 364.430 3.788 0 40 FHAB CC(C)C[C@@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)O 13549292 QTNPGZQXICUHKN-QGZVFWFLSA-N 352.390 3.724 0 40 FHAB COC(=O)c1ccc(Oc2c(F)c(F)nc(N3CCCC3)c2F)cc1 13690316 BJXTXAUWYMZCLU-UHFFFAOYSA-N 352.312 3.678 0 40 FHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NC1CC(C)(C)NC(C)(C)C1 9388278 DXAJVKISQROYMQ-UHFFFAOYSA-N 354.498 3.528 0 40 FHAB O=C(CSc1nc2cc(Cl)cnc2[nH]1)Nc1ccc(F)c(F)c1 5310274 KWBGLGYKNTWFSO-UHFFFAOYSA-N 354.769 3.620 0 40 FHAB Cc1cnc(NC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)s1 14158660 GLCVVNOZMLXBGS-UHFFFAOYSA-N 374.491 3.510 0 40 FHAB CC(=O)Nc1ccc(SCC(=O)Nc2ccc3oc(C)nc3c2)cc1 14255086 SSXPGBZYUIERBY-UHFFFAOYSA-N 355.419 3.825 0 40 FHAB COc1ccc([C@@H]2C[C@@H](c3ccccc3)N(C(=O)C3CC3)c3ncnn32)cc1 4732767 OBLYGEKISSCDMH-PMACEKPBSA-N 374.444 3.764 0 40 FHAB CC(C)Sc1nc2sc3c(c2c2nnc(S)n12)CC(C)(C)OC3 5789823 FBMGDZZYEKJUKN-UHFFFAOYSA-N 366.537 3.980 0 40 FHAB CCSc1ncc(Cl)c(C(=O)Nc2ccc(OC)cc2OC)n1 6810447 DOGVSIAOBJUQFD-UHFFFAOYSA-N 353.831 3.512 0 40 FHAB CCc1ccc(-n2cc(C(=O)NCc3ccc(OC(C)C)cc3)nn2)cc1 67262145 GWXVKWYYWSYWQB-UHFFFAOYSA-N 364.449 3.547 0 40 FHAB O=C(COc1ccc(N2CCCC2=O)cc1)Nc1ccc(Cl)cc1F 7062666 XCYSWETWDAQSSP-UHFFFAOYSA-N 362.788 3.623 0 40 FHAB CC(=O)c1cccc(S(=O)(=O)N2CCCCC[C@H]2c2cccn2C)c1 9549175 MIDWQPKXZYUMMQ-IBGZPJMESA-N 360.479 3.534 0 40 FHAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)c(Cl)c1 7402537 BCRIKIHRQKOMIQ-UHFFFAOYSA-N 350.198 3.942 0 40 FHAB CCCN(C(=O)c1cccc(Oc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 7406116 CCXCUDNOUCBFFD-KRWDZBQOSA-N 373.474 3.518 0 40 FHAB Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 7989163 VTPVIESAZOQUHI-ZDUSSCGKSA-N 364.401 3.912 0 40 FHAB Cc1ccc(Cc2cnc(NC(=O)[C@H]3Cc4ccccc4O3)s2)cc1 7984251 XOXBTAQSBHVXNE-GOSISDBHSA-N 350.443 3.985 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)OCc2c(F)c(F)c(F)c(F)c2F)c1C 9691929 YMKKSZGNVSKACV-UHFFFAOYSA-N 361.266 3.887 0 40 FHAB COC(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1C1CCCC1 8265478 RRAHQNPDOLLPIJ-SNVBAGLBSA-N 366.870 3.819 0 40 FHAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)C1 17720154 MXMJXVPQRCZEFW-XLAORIBOSA-N 356.510 3.923 0 40 FHAB CCCOc1cc(CN2CCNC(=O)C[C@@H]2c2ccccc2)ccc1OC 92075977 QOLZPKOFAXLKNP-LJQANCHMSA-N 368.477 3.547 0 40 FHAB COc1cc(NC(=O)CCc2ccccc2F)ncc1Br 95447641 CKPPKEKYMAEFKI-UHFFFAOYSA-N 353.191 3.563 0 40 FHAB CCn1c(SCC(=O)N[C@@H](C)c2cccs2)nnc1-c1ccco1 9112907 YDDXNSIXVMKBEQ-NSHDSACASA-N 362.480 3.589 0 40 FHAB C[C@H](NC(=O)c1cc2c(s1)-c1ccccc1CC2)C1=CCN(C)CC1 95469128 IFEOENAXJJTITD-AWEZNQCLSA-N 352.503 3.894 0 40 FHAB O=C(c1cn[nH]c1-c1cccs1)N1CCN(c2ccccc2Cl)CC1 72328769 IJHDMWLVVCKQMZ-UHFFFAOYSA-N 372.881 3.754 0 40 FHAB CCC(CC)c1cc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)on1 75107352 NCLFMCVLRKMYNL-KDURUIRLSA-N 367.493 3.782 0 40 FHAB C[C@H](c1nnc(-c2ccccc2)o1)N1CCN(Cc2ccccc2F)CC1 22777128 BSZQFSICPNISPO-MRXNPFEDSA-N 366.440 3.755 0 40 FHAB C[C@H](NC(=O)/C=C/c1ccc(-c2ccccc2F)o1)c1nnc2n1CCC2 89913793 QZGNCPZIBNSEQK-STRFDMGBSA-N 366.396 3.514 0 40 FHAB COc1cccc(O[C@@H](C)C(=O)Nc2ccccc2Br)c1 20454515 ZBWRXHRYDPOWDY-NSHDSACASA-N 350.212 3.864 0 40 FHAB O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 20454967 LJWPWDBWCVQSGV-UHFFFAOYSA-N 368.418 3.526 0 40 FHAB O=C(NCC(c1ccco1)c1ccco1)c1cncc(Br)c1 667411171 LNFXXWAGXNTOIR-UHFFFAOYSA-N 361.195 3.592 0 40 FHAB CCC1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)CC1 408706755 DEVTXOSGHODCAY-ADKAHSJRSA-N 372.509 3.912 0 40 FHAB Cc1ccc(C(=O)N2CC[C@@]3(CCn4c(-c5cccnc5)cnc43)C2)s1 306137714 RDSBQJWLQRDHQD-HXUWFJFHSA-N 364.474 3.503 0 40 FHAB CC(C)Oc1cccc(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)c1 408714336 OOLPBCXMUSWHRA-UHFFFAOYSA-N 351.406 3.796 0 40 FHAB COc1ccc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)cc1 27698567 QSZODXADQWFUHT-SEJPIABJSA-N 364.489 3.663 0 40 FHAB Cc1ccc(Nn2c(N)nn(CC(=O)c3cc(C)ccc3C)c2=S)cc1 28527615 AQAAESCVQDOMBE-UHFFFAOYSA-N 367.478 3.680 0 40 FHAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)cc2)cc1 27917788 UBNASBMSNWNCAL-UHFFFAOYSA-N 355.463 3.971 0 40 FHAB O=C1c2cccn2[C@H]2CN(Cc3ccsc3)C[C@H]2N1Cc1cccs1 306143886 YPPCMBWZNMQADV-ZWKOTPCHSA-N 369.515 3.693 0 40 FHAB O=C(Cc1csc(Cc2ccccc2)n1)NCCc1ccc(F)cc1 31487848 YBNGMXLHBAZKTE-UHFFFAOYSA-N 354.450 3.774 0 40 FHAB COC[C@@H](CC(C)(C)C)NC(=O)c1nc(C(C)C)ncc1Br 1530464339 NMCJNBFBHRZDJG-LLVKDONJSA-N 372.307 3.544 0 40 FHAB O=C(NCc1cc(-c2cccs2)on1)c1ncc(-c2ccccc2)o1 38753987 AZSUNCNLXSYOLV-UHFFFAOYSA-N 351.387 3.988 0 40 FHAB c1ccc(CNc2ncc3c(n2)CC[C@H](NCc2cccs2)C3)cc1 306137015 QIZURQBXUFHONH-KRWDZBQOSA-N 350.491 3.797 0 40 FHAB C[C@@H](Cc1ccc(F)cc1)N1CC[C@]2(CCc3ccccc3C(=O)N2)C1 72395788 CCWNOGYVXNWTQL-KSFYIVLOSA-N 352.453 3.577 0 40 FHAB O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38849074 JVHHHDIRSFGLHS-KBPBESRZSA-N 371.308 3.501 0 40 FHAB CCCCCNC(=O)c1nnn(-c2ccccc2Cl)c1-c1ccncc1 38487854 UNNCFOLRZIXLHJ-UHFFFAOYSA-N 369.856 3.903 0 40 FHAB COC(=O)c1cccc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)c1C 219856360 CQVMIYOGJZVPIJ-UHFFFAOYSA-N 366.461 3.945 0 40 FHAB O=C(NCCC1CCCC1)NCc1ccc(C(=O)N2CCCCC2)cc1 31164929 AVGWZJFNVPHHRK-UHFFFAOYSA-N 357.498 3.692 0 40 FHAB CCc1sc(-n2cccc2)nc1C(=O)Nc1cccc(NC(C)=O)c1 1565524689 SMFNOKRLSASVFD-UHFFFAOYSA-N 354.435 3.707 0 40 FHAB O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc(C(F)F)cc1 33760924 YNNKCGOOENMQHI-UHFFFAOYSA-N 360.389 3.936 0 40 FHAB COCCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc2nccnc12 32105410 SMOIMZOQQGGQMO-UHFFFAOYSA-N 365.224 3.529 0 40 FHAB Cc1ccccc1[C@H](C(=O)O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 563285273 XOXYDGQNTGSGDJ-VQIMIIECSA-N 355.409 3.855 0 40 FHAB COc1ccc(-n2nc(C)c(-c3nn4c(C(C)C)nnc4s3)c2C)cc1 72404626 FYOFQWCOPJPLKR-UHFFFAOYSA-N 368.466 3.787 0 40 FHAB Cc1ccc2c(c1)CN(Cc1ccc(F)cc1)CC1(CCN(C)CC1)O2 72394182 VGTJICRZYNZJBZ-UHFFFAOYSA-N 354.469 3.993 0 40 FHAB COCCCC(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 40132641 XITJYXHVBWFPIN-UHFFFAOYSA-N 374.384 3.998 0 40 FHAB Cc1ccc2snc(C(=O)N3CCC(c4nncn4C4CC4)CC3)c2c1 328802895 JSWCWHZRZMQIOY-UHFFFAOYSA-N 367.478 3.551 0 40 FHAB Cc1ccc(Cl)cc1NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 222450893 JJYLYGFUYXQQCX-UHFFFAOYSA-N 366.870 3.605 0 40 FHAB CCOCc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1OCC 224698908 IWCXNOZIDQLPKE-UHFFFAOYSA-N 368.477 3.584 0 40 FHAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C 223200384 SKHRTWJBAJKPDH-HXUWFJFHSA-N 370.468 3.558 0 40 FHAB O=C(c1nc2ccccc2s1)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 225676258 AQTWUWLNDSWFKM-CYBMUJFWSA-N 352.415 3.655 0 40 FHAB CC(C)(C)OC(=O)NCCN1C(=O)S[C@H](c2ccc(Cl)cc2)C1=O 91690455 CVNIPVRINWGSFE-GFCCVEGCSA-N 370.858 3.601 0 40 FHAB CC(C)Oc1ccc2c(c1)[C@H](NC(=O)c1ccnc3c1ncn3C)CCC2 585082819 OVBOMXRXFLCVAW-GOSISDBHSA-N 364.449 3.563 0 40 FHAB CN1CCC[C@@H]2N(C(=O)c3cc(-c4ccccc4F)no3)CCC[C@@]21C 257261797 LIVXGJVAMXQHKC-ICSRJNTNSA-N 357.429 3.570 0 40 FHAB Cc1cccc(C(=O)N2CCC[C@H](c3cncc(Oc4ccccc4)n3)C2)n1 257284951 PEZYQVYATQCGJY-KRWDZBQOSA-N 374.444 3.992 0 40 FHAB COC[C@H]1CN(Cc2ccco2)CC12CCN(CCc1ccccc1)CC2 585102725 BYNHLSLBQMXFRD-OAQYLSRUSA-N 368.521 3.683 0 40 FHAB O=C(NCc1ccnc(N2CCCC2)c1)c1cnc(-c2ccccc2)s1 48326193 ZUXXHPMLBBHAQZ-UHFFFAOYSA-N 364.474 3.735 0 40 FHAB CC(=O)N(C)c1cccc(N[C@H]2CCCN(c3ccccc3Cl)C2=O)c1 73413043 XIEJZBQHRRMYOF-SFHVURJKSA-N 371.868 3.930 0 40 FHAB O=C(NCCc1nnc(-c2ccccc2)o1)c1cccc(C(F)(F)F)c1 80365078 GSBFLMNEAVCEHP-UHFFFAOYSA-N 361.323 3.728 0 40 FHAB O=C(CSc1ccc(F)cc1)NC[C@@H](O)c1ccc(-c2ccco2)o1 1775965695 KIWWDTLAOCNWDD-CQSZACIVSA-N 361.394 3.621 0 40 FHAB Cc1cc(NC(=O)NCc2ccccc2)c(=O)n(Cc2ccccc2F)c1 5000853 CQRCQQKEKVGKDZ-UHFFFAOYSA-N 365.408 3.666 0 40 FHAB Cc1cccc(C(=O)n2nc(-c3cccnc3)nc2NCc2ccco2)c1 5002117 VLSMHHFJGLQGRK-UHFFFAOYSA-N 359.389 3.542 0 40 FHAB CCCc1c(C)nc2ncnn2c1Nc1cc(Cl)c(OC)cc1OC 13364937 PMNYFESOHLNVAQ-UHFFFAOYSA-N 361.833 3.799 0 40 FHAB CCn1cc([C@@H](NC(=O)[C@H]2CCCO2)c2ccc(F)cc2)c2ccncc21 19524817 ISAPSUPEMRELOD-UXHICEINSA-N 367.424 3.580 0 40 FHAB Cc1nccn1CC1CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 19714483 YFQSWPKPGACRBC-UHFFFAOYSA-N 369.900 3.943 0 40 FHAB CCOc1ccccc1OCC(=O)N(C)Cc1nc2ccccc2s1 5406358 USYDTLMLFKRBKN-UHFFFAOYSA-N 356.447 3.732 0 40 FHAB CSc1nc2ccccc2n1CC(=O)N[C@@H](C)CCc1ccccc1 13117115 HSFNNTGFXYTHLD-HNNXBMFYSA-N 353.491 3.896 0 40 FHAB CNC(=O)c1cccc(NC(=O)c2ccc(C3SCCS3)cc2)c1 24039831 XMKYIHWUNVMYDK-UHFFFAOYSA-N 358.488 3.777 0 40 FHAB O=C(Nc1nc2ccccc2s1)c1cccc(NC(=O)[C@H]2CCCO2)c1 24361781 YZUQMDWXEYBZKJ-OAHLLOKOSA-N 367.430 3.666 0 40 FHAB CCCCC(=O)Nc1nnc(SCC(=O)Nc2ccccc2F)s1 4078066 BLPWDMVHDGUFRS-UHFFFAOYSA-N 368.459 3.537 0 40 FHAB Cc1ccc(-c2csc(NC(=O)c3cccc(S(C)(=O)=O)c3)n2)cc1 4517841 FUJWCUSEROEEOP-UHFFFAOYSA-N 372.471 3.774 0 40 FHAB Cc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccccc3F)n2)cc1 12441093 APJWDMALDSWLDB-UHFFFAOYSA-N 365.408 3.777 0 40 FHAB COC(=O)c1c(NC(=O)C(C)C)sc2c1CCN(Cc1ccccc1)C2 23153743 BDASPHJCMARNRY-UHFFFAOYSA-N 372.490 3.688 0 40 FHAB COC(=O)[C@H]1CC12CCN(C(=O)Cc1ccc(SC(C)C)cc1)CC2 575415612 GOVYEVVBXOMIJP-QGZVFWFLSA-N 361.507 3.531 0 40 FHAB CCOC(=O)CSc1nnc(NC(=O)c2ccc3ccccc3c2)s1 4079373 UJELGLDLTWJYRC-UHFFFAOYSA-N 373.459 3.599 0 40 FHAB Cc1nc2ccccc2n1[C@H]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C[C@@H]1O 2332242619 DBGRBEAGUNFEDU-YDLSIGKMSA-N 361.489 3.789 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)CN1CCN(C/C=C/c2ccccc2)CC1 20029201 IYHJBMSFLDJGMU-JXMROGBWSA-N 373.500 3.990 0 40 FHAB CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(Cl)cc2Cl)cc1 32602123 DJRKQIZEFSPGMQ-UHFFFAOYSA-N 360.218 3.720 0 40 FHAB Cc1cc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)no1 20917395 VTYTWBPOHTWIFP-UHFFFAOYSA-N 362.389 3.550 0 40 FHAB O=[S@@](CCOc1ccc(Cl)cc1)Cc1nc(-c2cccs2)no1 32801070 KZNLZDQSVLIZAU-HSZRJFAPSA-N 368.867 3.779 0 40 FHAB COc1ccc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)OCO3)c(OC)c1 32869826 MKFIULNLORFPPQ-MRXNPFEDSA-N 370.405 3.802 0 40 FHAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(N2CCCCC2)cc1 32999896 XQGVFCFDZQWHHP-LJQANCHMSA-N 369.465 3.663 0 40 FHAB CCC[C@]1(C)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O 32931555 OCJNSNVBSOWZMV-NRFANRHFSA-N 365.433 3.550 0 40 FHAB CCn1c(SCc2nc(-c3ccsc3)no2)nnc1-c1ccncc1 22884809 QSTVQIUMSVWBLW-UHFFFAOYSA-N 370.463 3.764 0 40 FHAB Cc1ccc2c(CN3CCCN(Cc4ccccc4)CC3)cc(=O)oc2c1 23043122 ICTUQVZPTQBYTG-UHFFFAOYSA-N 362.473 3.809 0 40 FHAB O=C(NCCc1ccccn1)Nc1cccc(COCc2ccco2)c1 47602586 CLSIPXCQQGXQMD-UHFFFAOYSA-N 351.406 3.756 0 40 FHAB NC(=O)NCc1ccc(C(=O)OC(c2ccccc2)c2ccccc2)cc1 43013045 GXAZKPKEKJTRAB-UHFFFAOYSA-N 360.413 3.801 0 40 FHAB O=C(OC[C@@H]1COc2ccccc2O1)c1ccc(C(=O)c2ccccc2)cc1 3180423 IIGZMCULJWFNCL-IBGZPJMESA-N 374.392 3.914 0 40 FHAB CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1ccc(C)cc1 779164 SMHVRWDVOFOTSM-UHFFFAOYSA-N 373.507 3.769 0 40 FHAB Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)c(C)c1 888208 DAWJDZIDSQFCBR-UHFFFAOYSA-N 366.490 3.754 0 40 FHAB COc1cc(C(=O)OCc2nc3ccccc3s2)cc(OC)c1OC 1428339 LFEVLKCCBMEZBV-UHFFFAOYSA-N 359.403 3.679 0 40 FHAB O=C(NCc1ccccc1)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 7882003 QFEOZLNSAZZYBK-CYBMUJFWSA-N 363.244 3.663 0 40 FHAB Cc1noc(C)c1COc1ccc(C(=O)NCCN(C(C)C)C(C)C)cc1 7981789 KJFDCYHZHHCNQU-UHFFFAOYSA-N 373.497 3.719 0 40 FHAB Cc1ccccc1OCCC(=O)OCC(=O)Nc1ccc(Cl)cc1F 7985668 CAPTYYHGCZNQSI-UHFFFAOYSA-N 365.788 3.738 0 40 FHAB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@H](C4)[C@H]23)ccc1O 100511928 KNUWZJNVRUBDEL-TXMFNDADSA-N 361.488 3.803 0 40 FHAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1cccc(Cl)c1Cl 10330437 HIQLREXYIXZGTJ-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB CN(C)[C@@H](CNC(=O)c1ccccc1Br)c1ccc(F)cc1 10329687 DLRKTRLASYGZRX-INIZCTEOSA-N 365.246 3.621 0 40 FHAB COc1ccc2[nH]cc(/C=C3/CC(=O)N(CCc4ccccc4)C3=O)c2c1 62001853 QAOGESVIJUVWDN-WJDWOHSUSA-N 360.413 3.562 0 40 FHAB biogenic O=C(CCCc1c[nH]c2ccccc12)NCCc1ccc2c(c1)OCCO2 10213455 ASLOGZLULRAAGV-UHFFFAOYSA-N 364.445 3.621 0 40 FHAB Cn1ccc2c(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)cccc21 58250458 GYLBINPNEVCLNM-QGZVFWFLSA-N 350.418 3.988 0 40 FHAB Cc1noc(C)c1S(=O)(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl 28043018 SWMRWCPGLHXYQN-SECBINFHSA-N 363.266 3.980 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1OC 10925130 UXTOOCQXHRPEGT-UUILKARUSA-N 366.417 3.704 0 40 FHAB CCCn1ncc2c(C(=O)Nc3ccn(C(C)C)n3)cc(C3CC3)nc21 36616122 NDSMJROPZVKAEG-UHFFFAOYSA-N 352.442 3.748 0 40 FHAB CC1(C)Cc2c(sc3ncn4nc(-c5ccc(F)cc5)nc4c23)CO1 2438754 YKPRPVOVJXMIQI-UHFFFAOYSA-N 354.410 3.996 0 40 FHAB CCc1ccc(-n2cc3c(c2-c2cccc(C)c2)c(=O)n(C)c(=O)n3C)cc1 2403039 ICTNXMZHKOZMOT-UHFFFAOYSA-N 373.456 3.566 0 40 FHAB O=C(NCc1ccc(OC(F)F)cc1)c1cccc(Br)c1 11510425 QABAKMYTNYGXQC-UHFFFAOYSA-N 356.166 3.981 0 40 FHAB Cc1cc(-c2ccccc2)nc(SCC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)n1 100413290 SFWBPEWXVHNEQZ-QGPMSJSTSA-N 353.491 3.849 0 40 FHAB COc1cccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@H](C4)[C@@H]32)c1O 100872126 ZSRYUSRGJUITDT-UVBAXCRRSA-N 361.488 3.803 0 40 FHAB C[C@H]1C[C@@H](NC(=O)c2cc3c(=O)n4ccccc4nc3s2)CC(C)(C)C1 2722845 FTCVHWZLBAPKBJ-QWHCGFSZSA-N 369.490 3.854 0 40 FHAB Cc1cc(=O)n(CC(=O)Nc2ccc(C)c(C)c2)c(-c2ccc(F)cc2)n1 57477803 SQPAITWJZWTYSY-UHFFFAOYSA-N 365.408 3.613 0 40 FHAB O=S(=O)(Nc1ccc2c(c1)COc1ccccc1O2)N1CCCCC1 12360083 QSUQKFNDJFQIDE-UHFFFAOYSA-N 360.435 3.514 0 40 FHAB CCOc1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)c(OCC)c1 105115884 YRQLOVKLDXWBEH-ATVHPVEESA-N 374.506 3.874 0 40 FHAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1cccc(Cl)c1)cn2C 22237183 SWHVKDBWMAODKA-UHFFFAOYSA-N 356.809 3.843 0 40 FHAB CCCOc1ccc(C(=O)OCC(=O)Nc2ccccc2)cc1OCC 3550572 IFIYUZSMJGEXHL-UHFFFAOYSA-N 357.406 3.670 0 40 FHAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccccc2C)cc1 12995124 WHSQOOSXPDKCRO-UHFFFAOYSA-N 368.462 3.954 0 40 FHAB CSc1ccc(COC(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1 12977734 ZGHBRROQROABIZ-UHFFFAOYSA-N 364.488 3.624 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 13096427 AUOAMDBMESBGKT-SFHVURJKSA-N 367.493 3.818 0 40 FHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 13006660 OSYTXXIZUWFDCT-QAPCUYQASA-N 353.466 3.510 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 13020818 PLSXWFLKTYFVNZ-UHFFFAOYSA-N 374.803 3.938 0 40 FHAB CN(CC(=O)Nc1ccc(F)cc1)Cc1nc(-c2ccc(Cl)cc2)no1 9364422 NZYMHBDVONXPGL-UHFFFAOYSA-N 374.803 3.600 0 40 FHAB CC(=O)Nc1ccc(Nc2ncnc3c2cnn3Cc2ccccc2)cc1 5346069 VQSFTILQHAXEAI-UHFFFAOYSA-N 358.405 3.577 0 40 FHAB CCOc1ccc([C@@H]2N=C(O)c3c(sc4c3CCN(CC)C4)N2)cc1 4556444 DMTWDZFBGCKDMW-QGZVFWFLSA-N 357.479 3.954 0 40 FHAB CNc1nc(S[C@H](C)C(=O)NCc2cccs2)nc2ccccc12 14244040 MSLULNJCTJONKG-LLVKDONJSA-N 358.492 3.530 0 40 FHAB CCCN1C(=O)N/C(=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C1=O 4739668 USXKJRHEFQQRHF-NTEUORMPSA-N 374.780 3.601 0 40 FHAB CCCn1c(=O)c2ccccc2n2c(SCCc3ccccc3)nnc12 6830957 WJWPOOIRSRPYMU-UHFFFAOYSA-N 364.474 3.789 0 40 FHAB Cc1cc([C@@H](C)Nc2ncc(C(=O)N3CCOCC3)cc2Cl)c(C)o1 67383908 PFVTXXNPXIWLHQ-GFCCVEGCSA-N 363.845 3.590 0 40 FHAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1O 7112664 FMTUBRMGGATHLC-LJQANCHMSA-N 350.374 3.761 0 40 FHAB Cc1cccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)c1C 7400290 DMNIFJJXQCFMRE-UHFFFAOYSA-N 354.494 3.965 0 40 FHAB O=C(OCc1ncc(-c2ccccc2)o1)c1cccc(N2CCCC2=O)c1 7622185 JLCMQAUCPXSUHW-UHFFFAOYSA-N 362.385 3.825 0 40 FHAB CS(=O)(=O)N1CCc2cc(-c3csc(-c4ccc(O)cc4)n3)ccc21 8297703 WEGBEDIYDAWMAF-UHFFFAOYSA-N 372.471 3.505 0 40 FHAB Cc1ccc(OCCCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 8341439 OPAINFNSJILXFP-UHFFFAOYSA-N 366.505 3.935 0 40 FHAB CCc1cc(C(=O)OC)c(NC(=S)Nc2ccc(O)cc2C)s1 17072746 KEMIHNZJHXMHPC-UHFFFAOYSA-N 350.465 3.920 0 40 FHAB CN(C)CCCN1CN=C(c2ccccc2)N(c2cccc(Cl)c2)C1 22609054 VJFKBJJFROGEHO-UHFFFAOYSA-N 356.901 3.776 0 40 FHAB Cc1ccc(-c2csc3ncc(C(=O)NCCC(C)C)c(=O)n23)cc1 20768220 VWYKKMCDEAATOG-UHFFFAOYSA-N 355.463 3.507 0 40 FHAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1cnc2ccccc2n1 9743322 BOCOJPWNPAWLRO-UHFFFAOYSA-N 363.808 3.780 0 40 FHAB CCc1cccc(C)c1NC(=O)CSc1nc(N)c2ccsc2n1 9835863 RLBAXPHJSWGHSI-UHFFFAOYSA-N 358.492 3.875 0 40 FHAB COc1ccccc1OCCNC(=O)c1ccc(-c2ccc(F)cc2)o1 18075458 DTSWNJXLVZIIRC-UHFFFAOYSA-N 355.365 3.903 0 40 FHAB Cc1cc2c(cc1C)O[C@H](C(=O)N[C@@H](C)Cc1nc3ccccc3s1)C2 84129008 OGUWHQLWKMLKHC-KSSFIOAISA-N 366.486 3.964 0 40 FHAB CCCCN(CC)Cc1c(C)nc2ccc(N3CCOCC3)cc2c1O 8717441 ZTVQCVMDIZACTK-UHFFFAOYSA-N 357.498 3.707 0 40 FHAB Cc1ccc(OCCN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)cc1 8719102 ICTDVXOAJSVYKT-JOCHJYFZSA-N 364.445 3.548 0 40 FHAB Cc1cn(-c2ccccc2Cl)nc1NC(=O)[C@@H]1Cc2cc(F)ccc2O1 92645856 HRZFRLMMQUVURX-KRWDZBQOSA-N 371.799 3.915 0 40 FHAB COc1cc(C)ccc1CN[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 95454579 LZCAHYULHGVFOL-NHCUHLMSSA-N 374.912 3.819 0 40 FHAB COCCOc1ccc(C(=O)N2[C@@H](C)Cc3cc(F)ccc3[C@@H]2C)cc1 95455923 PHUOLAVBMMGCJF-GJZGRUSLSA-N 357.425 3.999 0 40 FHAB O=S(=O)(Nc1ccc(F)c(Cl)c1)c1c(Cl)ccnc1Cl 95452400 FLEWKDGBGSJKKP-UHFFFAOYSA-N 355.605 3.982 0 40 FHAB Cn1cc(CC(=O)Nc2ccnc(OCC(F)(F)F)c2)c2ccccc21 95463730 RDVYDWCIUVQKBT-UHFFFAOYSA-N 363.339 3.696 0 40 FHAB C=CC(=O)Nc1cc(NC(=O)Cc2c[nH]c3cc(F)ccc23)ccc1F 75107654 KQRLDALKHBQGGQ-UHFFFAOYSA-N 355.344 3.752 0 40 FHAB CC(C)OC[C@@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)o2)CCO1 547786226 KAPDQRSAEBQQRH-AWEZNQCLSA-N 363.841 3.866 0 40 FHAB CSc1nc(O)c2[n+](n1)[C@H](c1ccc(C(C)C)cc1)Nc1ccccc1-2 27232984 WOFKYTJSQZAJSG-GOSISDBHSA-O 365.482 3.954 0 40 FHAB COc1ncccc1CNC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 30305692 FCSQCNUHSGIQTF-UHFFFAOYSA-N 372.428 3.668 0 40 FHAB COc1ccccc1NC(=O)NCC1CCN(Cc2ccccc2)CC1 38489577 YRXLVMOGCOYZBP-UHFFFAOYSA-N 353.466 3.729 0 40 FHAB O=C(NCCc1ccncc1)c1cc(-c2ccccn2)nc2ccccc12 79476840 YMMUWMFAQUETLK-UHFFFAOYSA-N 354.413 3.664 0 40 FHAB C[C@H]1CCC[C@@H](C)N1C[C@@H](O)COCCOC12CC3CC(CC(C3)C1)C2 72238837 OOGFLUIOEMMFGW-KKEHIWFPSA-N 365.558 3.612 0 40 FHAB CC(C)Cn1ccc2c(NC(=O)c3cnc4sccn4c3=O)cccc21 72406159 HUKLKYQKVSIFEI-UHFFFAOYSA-N 366.446 3.619 0 40 FHAB c1cncc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]c4ccccc34)n2)c1 72322044 YIRNDEXJZNUTOI-FQEVSTJZSA-N 359.433 3.527 0 40 FHAB biogenic,in-vitro COc1ccc(-n2cc(C(=O)O)c3c2[C@H](c2cccnc2)CC(O)=N3)cc1 40310145 CPRLELMSPPABBX-HNNXBMFYSA-N 363.373 3.703 0 40 FHAB biogenic Cc1ccccc1CN(C(=O)Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(C)C 225495556 ZROKMANJCFPALL-KRWDZBQOSA-N 370.468 3.619 0 40 FHAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N1CCN(c2ccccc2F)CC1 222981321 LCSZMLVLUXJADY-OAQYLSRUSA-N 370.468 3.949 0 40 FHAB COc1cccc(O[C@H](C)C(=O)NCCOc2ccccc2C(C)C)c1 223789327 JRSAEFAXBDRUNF-MRXNPFEDSA-N 357.450 3.781 0 40 FHAB COC(=O)c1cc(S(=O)(=O)Nc2cccc(SC)c2)ccc1Cl 223828882 IJZVOXZIMRSIMT-UHFFFAOYSA-N 371.867 3.649 0 40 FHAB COc1ccc(-c2noc(CN(C)C(=O)Cc3cccc(Cl)c3)n2)cc1 225122776 UHDCIVNVQDVDQO-UHFFFAOYSA-N 371.824 3.600 0 40 FHAB Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCOCC3)cc2)c(C)c1 44935027 QNXMPWNEHZCGPU-GOSISDBHSA-N 352.478 3.627 0 40 FHAB O=C(/C=C/c1ccccc1)Nc1nn2c(-c3ccc(F)cc3)nnc2s1 41108761 YRXJQFWREUFTRR-IZZDOVSWSA-N 365.393 3.644 0 40 FHAB O=C(O)c1cn(-c2ccc(F)cc2)c2c1N=C(O)C[C@H]2c1cccnc1 40267828 OULOMHOPUADBEH-AWEZNQCLSA-N 351.337 3.833 0 40 FHAB C[C@@H](CCCC(C)(C)O)NC(=O)C1CCN(C/C=C/c2ccccc2)CC1 199423737 JQDUURFQQPZGDX-BEBFYNPSSA-N 372.553 3.858 0 40 FHAB O=C(NCc1cccs1)[C@H]1C[C@@]12CCN(C(=O)c1cccc(Cl)c1)C2 96227623 SLZVDFVDGWGHEI-VQIMIIECSA-N 374.893 3.570 0 40 FHAB CCOc1ccc(-c2nc([C@@H](N)c3ccc(C)cc3)n[nH]2)cc1OCC 95534201 VCPHTYLMBASRQE-SFHVURJKSA-N 352.438 3.626 0 40 FHAB CN(Cc1ccco1)[C@@H]1COC2(CCN(Cc3ccc(F)cc3)CC2)C1 96048011 GLASKMKXFKOYEI-IBGZPJMESA-N 358.457 3.674 0 40 FHAB Cc1cc(-c2ncc[nH]2)nc([C@H]2CCCN(Cc3ccc(F)cc3)C2)n1 257247235 IYCIGUUECRUHIN-INIZCTEOSA-N 351.429 3.694 0 40 FHAB CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)Nc1ccccc1C(C)(F)F 653564444 GQVFCLKFAKCCJR-KBRIMQKVSA-N 368.424 3.846 0 40 FHAB CC(C)(C)c1noc([C@@H]2CCN(c3ccccc3Br)C2=O)n1 109522908 KOSDTXFVDNKJKL-JTQLQIEISA-N 364.243 3.650 0 40 FHAB CC1(C)CC[C@@H]2C[C@@H](NC(=O)c3ccc4oc(O)nc4n3)c3cccc1c32 613276395 BAEMFSPBYBHONE-IAQYHMDHSA-N 363.417 3.958 0 40 FHAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cccc(C(F)(F)F)c2)C1=O 205779999 FQBBWHAMNWKECC-KPKJPENVSA-N 373.352 3.693 0 40 FHAB COC[C@@H]1CN(Cc2ccco2)CC12CCN(Cc1cccs1)CC2 585102666 ALXOJOBEXRRIGK-KRWDZBQOSA-N 360.523 3.702 0 40 FHAB COc1ccccc1C1(CNC(=O)N2CCC[C@@H]2c2cc(C)no2)CCC1 680615787 HOSVASMSLRLYLW-QGZVFWFLSA-N 369.465 3.960 0 40 FHAB O=C(CN1CCC[C@@]2(CC=CCC2)C1)N1CCc2[nH]c3ccccc3c2C1 72284964 IGPFEVQMGNKOIX-QHCPKHFHSA-N 363.505 3.875 0 40 FHAB CN(CC(=O)Nc1ccnn1C1CCCC1)Cc1nc2ccccc2s1 57331777 LJEHWUFYIMBGRD-UHFFFAOYSA-N 369.494 3.678 0 40 FHAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2cscn2)N1c1cccc(F)c1 1615157471 OASAFCMDXWVQKX-IRXDYDNUSA-N 359.470 3.944 0 40 FHAB COc1cc(C(=O)CSc2nncc3ccccc23)cc(OC)c1OC 5720161 KMHJIEHDRANUCM-UHFFFAOYSA-N 370.430 3.631 0 40 FHAB CSc1nnc(CNC(=O)N(c2ccccc2)c2ccccc2)n1C 5001661 GDXVNUBZEKLQHU-UHFFFAOYSA-N 353.451 3.585 0 40 FHAB COc1ccc([C@H]2c3cc4c(cc3O[C@@](C)(OC)[C@H]2C)OCO4)c(OC)c1 5276312 OJLSPKZVMHLCBB-IOSSYPJHSA-N 372.417 3.956 0 40 FHAB Cc1cc(C)cc(NC(=O)COc2ccc(Br)cc2C=O)c1 5871742 AWXAEEPOGASRNC-UHFFFAOYSA-N 362.223 3.896 0 40 FHAB C[C@@H](NC(=O)[C@H]1CCCN(c2nc3ccccc3n2C)C1)c1ccccc1 12145809 KQOGQNHCCYUNTL-AEFFLSMTSA-N 362.477 3.667 0 40 FHAB Cc1c(-c2ccccc2)n[nH]c1C(=O)N(C)Cc1cc(O)nc2ccccc12 12147472 HAABGOZMRQCOGE-UHFFFAOYSA-N 372.428 3.911 0 40 FHAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(N2CCCC2=O)cc1 18702752 OYJVXNLETKMKPC-UHFFFAOYSA-N 364.430 3.584 0 40 FHAB Cn1cc(-c2cc(O)n3nc(C(F)(F)F)c(-c4ccccc4)c3n2)cn1 19290740 KRGHSSRUWHNTID-UHFFFAOYSA-N 359.311 3.521 0 40 FHAB CCc1noc(C)c1C(=O)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 19521214 IZDFRCLPAGCCNG-GFCCVEGCSA-N 372.450 3.677 0 40 FHAB COc1ccccc1OCc1nnc(SCc2cccc(C(=O)O)c2)o1 19928406 FTZLCHDJABWQTB-UHFFFAOYSA-N 372.402 3.648 0 40 FHAB COc1cccc([C@@H]2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)C[C@@H]2O)c1 19563957 WGAINASHQCDRLU-XTYQPILXSA-N 369.505 3.588 0 40 FHAB Cc1nnc(SCC(=O)NCc2ccc(Cl)cc2)n1-c1ccccc1 3409882 MLAJZGBWYNGMBK-UHFFFAOYSA-N 372.881 3.638 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)NC[C@@](O)(c1ccsc1)c1cccs1 244969009 GTUPKSQKCNLVJS-AUUYWEPGSA-N 373.499 3.629 0 40 FHAB Nc1ccc(Sc2ccc(N3C(=O)c4ccc(N)cc4C3=O)cc2)cc1 969294 FQQVTDIBUYSVHM-UHFFFAOYSA-N 361.426 3.803 0 40 FHAB in-vivo COc1ccc(-c2n[nH]c3c2[C@H](c2cccc(OC)c2)CC(=O)O3)cc1 4626294 YFGZHJYFNYIENY-INIZCTEOSA-N 350.374 3.535 0 40 FHAB CCOc1ccc(-c2nc(NC(=O)c3cc(C)n(C)n3)sc2C)cc1 9001824 BNVARQLWYPBCMB-UHFFFAOYSA-N 356.451 3.811 0 40 FHAB COc1ccc(CCC(=O)NCC2CCN(Cc3cccs3)CC2)cc1 23128052 MDBAUUXAAJKVRH-UHFFFAOYSA-N 372.534 3.718 0 40 FHAB COc1ccc(OC)c2c1s/c(=N\C(=O)c1ccccc1Cl)n2C 100908601 GIBPYAJVCFFCIU-ZPHPHTNESA-N 362.838 3.652 0 40 FHAB Cc1ccc2cccc(C(=O)NC[C@@H]3CCCN(c4nccs4)C3)c2n1 206833575 HYRJDEAWAGBLTF-HNNXBMFYSA-N 366.490 3.646 0 40 FHAB Cc1ccc(-c2csc3ncnc(N4C[C@H](C(N)=O)CC[C@@H]4C)c23)cc1 40135303 UTXWMZYAWBERSW-DZGCQCFKSA-N 366.490 3.757 0 40 FHAB CC(=O)/N=c1\[nH]c2ccc(C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)cc2s1 101402812 KTJDPJCBBLAJSN-VLIAUNLRSA-N 371.506 3.717 0 40 FHAB CCC[C@H](NC(=O)N[C@@H](C)Cn1cncn1)c1ccc(Cl)c(Cl)c1 102009815 VEYWOYLXVXWKCK-NHYWBVRUSA-N 370.284 3.814 0 40 FHAB CC(=O)Nc1ccc(OS(=O)(=O)c2cc(C)c(Cl)cc2C)cc1 32602126 GQUCAYKFDBFCTA-UHFFFAOYSA-N 353.827 3.683 0 40 FHAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 32755484 XLKIHXGQUKURLH-WMZOPIPTSA-N 370.518 3.738 0 40 FHAB O=C(Cc1cccc(F)c1)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 32817132 HFJHDIQDQBVTHV-UHFFFAOYSA-N 361.438 3.723 0 40 FHAB COc1ccccc1C(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1 21711398 ZELIXSYXSUJOLV-UHFFFAOYSA-N 364.401 3.569 0 40 FHAB COC(=O)c1sccc1NC(=O)Cc1csc(Cc2ccccc2)n1 33159799 FFCQWECYODTHJG-UHFFFAOYSA-N 372.471 3.763 0 40 FHAB Cc1ccccc1NC(=O)CNC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102996163 QNIDKWZILUVEHW-SNEKZUEESA-N 360.885 3.628 0 40 FHAB Cc1cccc(C2(C(=O)NCc3cccnc3-n3ccnc3C)CCC2)c1 53179618 KQIRSQQEMUYQAU-UHFFFAOYSA-N 360.461 3.622 0 40 FHAB CCOc1ccccc1CNn1cnnc1SCc1ccc(F)cc1 679422 OZIAZRLCDAAZLU-UHFFFAOYSA-N 358.442 3.852 0 40 FHAB O[C@@H](CN1CCN(Cc2csc3ccccc23)CC1)c1ccccc1 22927191 KKCXXJGMANZULK-FQEVSTJZSA-N 352.503 3.753 0 40 FHAB Cc1cc(C)c(C(=O)CCCC(=O)Nc2nc(C(F)(F)F)n[nH]2)c(C)c1 54000955 VLZWEYRTBUQBCO-UHFFFAOYSA-N 368.359 3.740 0 40 FHAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1cccc(NC(N)=O)c1 23785785 XLFVARXZKCKXAC-UHFFFAOYSA-N 352.221 3.756 0 40 FHAB CN(Cc1ccsc1)C(=O)CCCNC(=O)C12CC3CC(CC(C3)C1)C2 24384781 FBDHEDVPCARVKW-UHFFFAOYSA-N 374.550 3.819 0 40 FHAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1occc1-c1ccccc1 24722026 DEZUGXCIYUMQBW-UHFFFAOYSA-N 352.365 3.796 0 40 FHAB CSCC[C@@H](Nc1nc(-c2ccccc2)nc2ccccc12)C(=O)O 1745088 ZXIXLVOWWPTBCT-MRXNPFEDSA-N 353.447 3.915 0 40 FHAB COc1ccccc1-n1cnnc1SCC(=O)c1cc(C)ccc1C 2616293 RFWOZZIAONMUPB-UHFFFAOYSA-N 353.447 3.868 0 40 FHAB O=C(NCc1ccc(C(F)(F)F)cc1)c1cncn1-c1ccc(F)cc1 12535435 DRVMXODVJMWVGN-UHFFFAOYSA-N 363.314 3.960 0 40 FHAB COc1ccc2nc(S[C@@H](C)C(=O)Nc3cccc(C(C)=O)c3)[nH]c2c1 4252204 NGKBJIPTMCWYAC-LBPRGKRZSA-N 369.446 3.893 0 40 FHAB CCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1-n1cccc1 4518547 KCGIOIGJYJUXOU-UHFFFAOYSA-N 369.494 3.691 0 40 FHAB CCCCCC1=NN(C(=O)COc2ccccc2C)[C@@](O)(C(F)(F)F)C1 4904990 GARYOXYQLRESAD-KRWDZBQOSA-N 372.387 3.793 0 40 FHAB COc1ccc2c(C(=O)c3ccc(Cl)cc3)c(C)n(CC(=O)O)c2c1 4212617 DGMZLCLHHVYDIS-UHFFFAOYSA-N 357.793 3.927 0 40 FHAB in-man CCc1ccc(OCC(=O)NCCc2ccccc2)c(Br)c1 6398601 GZMCRQIEJZRDFS-UHFFFAOYSA-N 362.267 3.749 0 40 FHAB Cc1ccccc1-c1nnc2sc(NC(=O)c3ccc(F)cc3)nn12 6818061 FCGDCTHFBPSCBM-UHFFFAOYSA-N 353.382 3.553 0 40 FHAB C[C@H](NCc1ccc(OCC(N)=O)cc1)c1ccc(Cl)cc1Cl 27398710 RPSUNZIPIIFFNN-NSHDSACASA-N 353.249 3.708 0 40 FHAB CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1 27386237 XSPQJZVNVOPUEH-INIZCTEOSA-N 363.417 3.806 0 40 FHAB Clc1snnc1CN1CCN(Cc2cccc3ccccc23)CC1 58051832 YYHKWMJQFZNOKC-UHFFFAOYSA-N 358.898 3.663 0 40 FHAB CCc1cc(=O)n(CC(=O)Nc2c(C)cccc2C)c(-c2ccccc2)n1 57527222 BSHRVXFIUHCCED-UHFFFAOYSA-N 361.445 3.728 0 40 FHAB COc1ccc([C@@H]2C3=C(O)C[C@H](c4ccco4)CC3=Nc3ncnn32)cc1 102676150 UGRPTGZPIGUTPB-BFUOFWGJSA-N 362.389 3.945 0 40 FHAB C[C@H](SCc1ccccc1)C(=O)Nc1ccn(CCc2ccncc2)n1 58192049 ODEFRFUUHJWHRJ-INIZCTEOSA-N 366.490 3.781 0 40 FHAB Cc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)OCCO3)cc1Cl 9064299 GZTWQEQZIPIJFF-UHFFFAOYSA-N 362.838 3.546 0 40 FHAB O=C(NC1CCCCC1)C(=Cc1cccc(O)c1)C(=O)NC1CCCCC1 3265885 WRSYOWYJAXZPGO-UHFFFAOYSA-N 370.493 3.673 0 40 FHAB O=C(Nc1ccc(-n2cc(Cl)cn2)cc1)c1ccc(CN2CCCC2)o1 28304715 KLHFMLMOLMHBCK-UHFFFAOYSA-N 370.840 3.967 0 40 FHAB CCCC[C@@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1 2183318 LSJIBWVCAQDESU-LJQANCHMSA-N 364.445 3.720 0 40 FHAB Cc1nc(-c2ccccn2)cc(N2CCN(c3cccc(Cl)c3)CC2)n1 57477781 HPOXIKXAHVGCEF-UHFFFAOYSA-N 365.868 3.827 0 40 FHAB Cc1cc(N[C@H](C)C(=O)Nc2ccc(F)c(F)c2)ccc1N1CCCC1=O 10750398 LENNSAODNILULN-CYBMUJFWSA-N 373.403 3.839 0 40 FHAB Cc1ccc(NCC(=O)Nc2ccc(I)cc2)cc1 58060467 ILWKVJOMMNJEDU-UHFFFAOYSA-N 366.202 3.650 0 40 FHAB COc1ccc(C(=O)COC(=O)c2oc3ccccc3c2C)cc1OC 2642878 UHHKDBIQOCXRFR-UHFFFAOYSA-N 354.358 3.798 0 40 FHAB CCOc1ccc(-c2nonc2NC(=O)COc2c(C)cccc2C)cc1 12062998 HEPPHLGIVTXTMH-UHFFFAOYSA-N 367.405 3.770 0 40 FHAB CC(=O)Nc1ccc(NC(=O)CSc2nc3cc(C)ccc3[nH]2)cc1 2754583 UVOAXMPFFBZWPE-UHFFFAOYSA-N 354.435 3.561 0 40 FHAB CCN(Cc1ccncc1)C(=S)NC(=O)c1ccc(Cl)cc1Cl 12651218 ILRNZRLYUYEKBE-UHFFFAOYSA-N 368.289 3.925 0 40 FHAB C[C@@H]1CCc2[nH]c3ccc(C(=O)OCc4ccc(C(N)=O)cc4)cc3c2C1 12689520 NEOTZKFIXUONEW-CYBMUJFWSA-N 362.429 3.749 0 40 FHAB CN(Cc1cnn(-c2cccc(Cl)c2)c1)C(=O)COc1ccccc1F 48365364 CLXIBGZSLGDXGO-UHFFFAOYSA-N 373.815 3.702 0 40 FHAB O=C(CCC1CCCC1)NCc1cccc(NC(=O)c2ccncc2)c1 48355121 GYWWESOCVJEXBS-UHFFFAOYSA-N 351.450 3.921 0 40 FHAB COCc1ccc(CNC(=O)Nc2cc(NC(=O)C3CC3)ccc2C)cc1 48344270 FPKHQILDRRWVNB-UHFFFAOYSA-N 367.449 3.812 0 40 FHAB O=c1[nH]c2ccccc2n1CCCSCc1nc(-c2ccccc2)no1 12813452 ISMROZAREOVTIE-UHFFFAOYSA-N 366.446 3.703 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(Cl)cc1Cl 10410700 VQHWPRGBDWOASP-UHFFFAOYSA-N 352.217 3.971 0 40 FHAB COc1ccccc1[C@@H](CNC(=O)Nc1ccccc1F)N1CCCC1 12973531 RAKZRYXNDZJVPD-GOSISDBHSA-N 357.429 3.793 0 40 FHAB Cn1c2c(sc1=O)[C@H](c1ccccc1)CC(=O)N2c1ccc(F)c(F)c1 49543986 CPDYVHBLMDHVOC-ZDUSSCGKSA-N 372.396 3.925 0 40 FHAB Cn1c(=O)n(C)c2cc(CNCCc3ccc(Cl)cc3Cl)ccc21 13723067 VEWCLADEMQEJQA-UHFFFAOYSA-N 364.276 3.516 0 40 FHAB CCc1cc2c(=O)n(NC(=O)c3cc4cc(Cl)ccc4o3)cnc2s1 14166332 LPNPBJLBDKADAX-UHFFFAOYSA-N 373.821 3.804 0 40 FHAB O=C(O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1cnccn1 6486124 PYBZYNVUMLXJTJ-FQEVSTJZSA-N 357.369 3.739 0 40 FHAB C[C@@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)N1CCc2ccccc21 6558520 DAVSDIYQRKYRIZ-CJTWTEFWSA-N 372.424 3.769 0 40 FHAB CN(Cc1ccccc1)c1cnn(-c2ccccc2)c(=O)c1Br 6662279 OEUVHDOKQKFFSS-UHFFFAOYSA-N 370.250 3.631 0 40 FHAB c1ccc(CC2CCN(CCCNCc3ccc4c(c3)OCO4)CC2)cc1 6764375 XMSCRPPXDCCMLV-UHFFFAOYSA-N 366.505 3.850 0 40 FHAB COc1ccc(CCCNC(=O)[C@H](C)Sc2ccc(OC)cc2)cc1 20450236 CJOKDYDAKGUJST-HNNXBMFYSA-N 359.491 3.933 0 40 FHAB O=C(COc1ccc(F)cc1)Nc1ccccc1C(=O)N1CCCCCC1 22465880 FNNQSMCXGQAVGC-UHFFFAOYSA-N 370.424 3.859 0 40 FHAB COc1ccc(C(C)=O)cc1CC(=O)NCCCn1ccc2ccccc21 9469891 MJQWICDIBIZNLQ-UHFFFAOYSA-N 364.445 3.602 0 40 FHAB CCCCNC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 7129765 YXNLZFLUGIMUIO-NSHDSACASA-N 365.524 3.931 0 40 FHAB Cc1cccc2cc3c(nc12)N(S(=O)(=O)c1ccc(Cl)cc1)CC3 15842057 VZKMZWBDKMEWLY-UHFFFAOYSA-N 358.850 3.948 0 40 FHAB Cc1cc(C(=O)NC2CCCC2)ccc1NCC(=O)N1[C@H](C)CCC[C@H]1C 68462404 FGAQQPZENXESDB-IAGOWNOFSA-N 371.525 3.869 0 40 FHAB CCCn1c(NC(=O)C[C@@H](NC(C)=O)c2ccccc2)nc2ccccc21 7796409 URFAHAIFOWLZEO-GOSISDBHSA-N 364.449 3.652 0 40 FHAB CCCNC(=O)CN(C)C(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 7989193 HYJRIMGYYHQYEW-UHFFFAOYSA-N 369.248 3.852 0 40 FHAB CCOc1ccccc1NC(=O)[C@H](NC(=O)c1ccc(C)cc1)C(C)C 8071715 HPLVFSNTFHSXPV-LJQANCHMSA-N 354.450 3.787 0 40 FHAB CCOc1ccc(Cl)cc1S(=O)(=O)n1c(C)nc2ccccc21 19943434 JMASXYHHOAKHBU-UHFFFAOYSA-N 350.827 3.634 0 40 FHAB O=C(Nc1ccccc1)c1ccccc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)O 17075226 GWLBDEXJQIOVGY-HZPDHXFCSA-N 366.417 3.768 0 40 FHAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 17822438 PSMRINDZRKPYOZ-CQSZACIVSA-N 372.852 3.840 0 40 FHAB COCc1ccccc1C(=O)OCCNc1ccc(C(F)(F)F)cn1 83914752 BLMMWQHDZUZNCM-UHFFFAOYSA-N 354.328 3.516 0 40 FHAB CCCN(CCC)C(=O)CSc1nnc2cc(C)c3ccccc3n12 8614931 YPCNQAYHSQVVIM-UHFFFAOYSA-N 356.495 3.932 0 40 FHAB CCN(CC(=O)NCCc1nc2ccccc2s1)c1ccccc1C 96967690 SHTKVOUAKARYAI-UHFFFAOYSA-N 353.491 3.790 0 40 FHAB CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2)cc1 409098010 OPEWDZDIZIHSQU-UHFFFAOYSA-N 352.463 3.869 0 40 FHAB CC[C@H](C)N1C(=O)S/C(=C/c2cn(CC(=O)OC)c3ccccc23)C1=O 409009747 BSKNABJQNRNPBD-RGZVIEDOSA-N 372.446 3.649 0 40 FHAB Cc1ccc(OCC(=O)NCc2ccccc2CN2CCCCC2)cc1 30551791 HGYNSZDTIIOIHG-UHFFFAOYSA-N 352.478 3.676 0 40 FHAB Cc1ccccc1CN(C)C(=O)CN1CCO[C@@H](c2ccc(Cl)cc2)C1 71955015 ZFISLJHEAOQTNT-HXUWFJFHSA-N 372.896 3.680 0 40 FHAB COc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3cccc(C)c3)s2)cc1 225784292 VSRZKAUQKWQZOD-CYBMUJFWSA-N 369.446 3.928 0 40 FHAB CCOc1ccc(CCC(=O)Nc2nnc(SC)s2)cc1OCC 224000387 SPGQNCLEKPOIET-UHFFFAOYSA-N 367.496 3.629 0 40 FHAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCOc3ccc(F)cc3)cc2)C1 224335076 GPTPEMCSZJGGAW-KRWDZBQOSA-N 370.468 3.866 0 40 FHAB COc1ccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1OC 223043134 UZNXOCVJPWPNBQ-CQSZACIVSA-N 355.434 3.989 0 40 FHAB COc1cc2c(cc1OC)[C@H](NC(=O)Cc1c[nH]c3ccccc13)CC2 49719640 UVRVVMUXFXPHOS-GOSISDBHSA-N 350.418 3.531 0 40 FHAB biogenic Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@H](C)[C@@H]3CCCO3)c12 49674621 SBQCBPZAYSJTFJ-PXAZEXFGSA-N 370.497 3.669 0 40 FHAB CC[C@@H](NS(=O)(=O)c1cc(C)c(OC)cc1C)c1ccc(OC)cc1 225401748 BXYFGGBZGDFYAL-QGZVFWFLSA-N 363.479 3.750 0 40 FHAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N1CCN(c2ccccc2F)CC1 222951242 HOLDBJIOBDAQJN-HXUWFJFHSA-N 370.468 3.949 0 40 FHAB COc1ccc([C@@H](CC(C)C)NC(=O)COc2cccc(OC)c2)cc1 222792677 ZRTYUMPXCJSHLI-HXUWFJFHSA-N 357.450 3.986 0 40 FHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(OC)c(F)c1 225394488 VSSZIWPPXGRBFH-MRXNPFEDSA-N 359.397 3.875 0 40 FHAB C[C@@H](C(=O)NC1CCN(c2cc(-c3ccccc3)n[nH]2)CC1)c1ccccc1 98212929 MDLIBUAOAFIPSQ-QGZVFWFLSA-N 374.488 3.965 0 40 FHAB CCCOCCc1nnc(NC(=O)c2ccccc2Br)s1 95116350 UJHJMHVEYSRHPO-UHFFFAOYSA-N 370.272 3.522 0 40 FHAB COc1cc(CNc2ccc(C(=O)N(C)C)c(Cl)c2)c2c(c1)C[C@@H](C)O2 585081080 IOIQVLQANIYHOV-GFCCVEGCSA-N 374.868 3.986 0 40 FHAB CC(C)(C)c1ccc(N2CCC(NC(=O)c3cccc(CO)c3)CC2)cc1 585085501 KHERYKGTRVMGHB-UHFFFAOYSA-N 366.505 3.875 0 40 FHAB O=C(CC1=CCCCC1)N1Cc2cccn2[C@@H](COCc2ccccn2)C1 247864989 OFZFIXWJHHVRQU-OAQYLSRUSA-N 365.477 3.874 0 40 FHAB O=C(CC1=CCCCC1)N1Cc2cccn2[C@H](COCc2ccncc2)C1 247882418 VYFYWBBJLGPWIM-NRFANRHFSA-N 365.477 3.874 0 40 FHAB CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nnc1-c1ccco1 245284693 UAPNSWMYBYAONS-MGPQQGTHSA-N 362.499 3.591 0 40 FHAB CCCn1nccc1-c1cccc(C[C@H]2CCN(C(=O)C(C)(C)C)C2)n1 257238619 HLVAZBTUJMOREX-MRXNPFEDSA-N 354.498 3.792 0 40 FHAB Cc1nn(C(C)C)cc1C(=O)N[C@](C)(C(=O)OC(C)(C)C)c1ccccc1 598506739 QDHHLIRBORZABR-NRFANRHFSA-N 371.481 3.759 0 40 FHAB Cc1c(Cl)cccc1S(=O)(=O)NC1(c2cccs2)CCOCC1 390828351 QPOYKGMDMINLIV-UHFFFAOYSA-N 371.911 3.694 0 40 FHAB COc1ccccc1CN[C@H]1CCC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O 585289531 RDENDNUVVDNHAV-DFQSSKMNSA-N 361.869 3.799 0 40 FHAB Cc1ccc(-c2nc(C)c(C(=O)NCCCOCc3ccco3)s2)o1 31368969 GYHHIJDNDPCYBI-UHFFFAOYSA-N 360.435 3.950 0 40 FHAB Cn1ccnc1SCc1nc(-c2cc(Br)cs2)no1 48705449 AGLYEAUIXMHECY-UHFFFAOYSA-N 357.258 3.586 0 40 FHAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)/C=C/c3ccccc3)C2)cc1C 1615076515 RVHUMJAYLVMPIV-XDQZKXAQSA-N 365.473 3.749 0 40 FHAB CCOC(=O)c1c(C)c(C(=O)Nc2ccc(OCC)cc2)c(C)n1CC 5054612 YZWBSFSYDNQBSP-UHFFFAOYSA-N 358.438 3.953 0 40 FHAB Cc1cccc(C(=O)N(c2ccc(Cl)cc2)[C@@H]2C=CS(=O)(=O)C2)c1 5070555 NCDPSJBPOMSAKO-QGZVFWFLSA-N 361.850 3.606 0 40 FHAB COc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)cc1 5374026 GXGZLYFVCPJKTQ-UHFFFAOYSA-N 352.434 3.883 0 40 FHAB CCC1=NN(C(=O)c2ccc(Br)cc2)[C@](O)(C(C)(C)C)C1 5711222 FYCUZTXPVRZDFA-MRXNPFEDSA-N 353.260 3.796 0 40 FHAB Cc1cc(NC(=O)C(=O)Nc2cc(C)nc3ccccc23)c2ccccc2n1 5739836 SAKDWXHXUAJZMM-UHFFFAOYSA-N 370.412 3.977 0 40 FHAB CC(C)c1ccccc1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O 5797291 MSTLGQPLJMLYMB-UHFFFAOYSA-N 361.401 3.905 0 40 FHAB COc1cc(NC(=S)Nc2ccc(C(C)=O)cc2)cc(OC)c1OC 16213354 ULOHKUJGPLEITG-UHFFFAOYSA-N 360.435 3.724 0 40 FHAB CCCn1c(=O)n(CCC(=O)Nc2ccc3c(c2)CCC3)c2ccccc21 16699748 NXZHEFXAPMNEFI-UHFFFAOYSA-N 363.461 3.731 0 40 FHAB O=C(COc1ccc(N2CCCC2=O)cc1)Nc1cccc(Cl)c1F 16962543 SQITZAHRVKHXPH-UHFFFAOYSA-N 362.788 3.623 0 40 FHAB COc1ccc([C@@H]2CC(=O)c3cnn(-c4ccccc4F)c3C2)cc1OC 17075203 ZVWJBGIONFYYNR-AWEZNQCLSA-N 366.392 3.941 0 40 FHAB O=C(CCc1c(F)cccc1Cl)NC[C@@H]1CCCN1c1nccs1 206779005 IYXONGUGSIWNPV-LBPRGKRZSA-N 367.877 3.653 0 40 FHAB CCc1ccc(N2C(=O)/C(=C\c3cccc(O)c3)C(C(=O)OC)=C2C)cc1 8085647 WJXIOMYZAOQAMF-UYRXBGFRSA-N 363.413 3.832 0 40 FHAB COc1ccc2nc(C(=O)Nc3ccc(OC)c(OC)c3)cc(OC)c2c1 1888967213 XDGAYDJJVIBXGO-UHFFFAOYSA-N 368.389 3.522 0 40 FHAB CC(=O)CCCC(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 2037978387 UAECBFRSUPNRDB-APWZRJJASA-N 360.473 3.791 0 40 FHAB CC(C)COC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2C)CC1 2056225605 SYWFIOYGXFTMNZ-NXHRZFHOSA-N 350.503 3.528 0 40 FHAB O=C(Nc1cc(F)ccc1F)c1cccn(Cc2cccc(F)c2)c1=O 5268812 CGYYJTQMDSOLAF-UHFFFAOYSA-N 358.319 3.566 0 40 FHAB CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3nc(C)sc3c2)cc1 10252973 SJCBDBUCNAPYRW-UHFFFAOYSA-N 374.487 3.580 0 40 FHAB Cc1nc2cc(NC(=O)NCc3nccnc3-c3ccco3)ccc2s1 575620916 WRVMVNJPEXCZQM-UHFFFAOYSA-N 365.418 3.976 0 40 FHAB Cc1nc2ccccc2nc1COC(=O)c1cnc2onc(C(C)C)c2c1 40034396 MQVRKLCNXKLSGS-UHFFFAOYSA-N 362.389 3.955 0 40 FHAB C[C@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 40159932 WNGBTUOHTLOWQY-SWLSCSKDSA-N 352.862 3.917 0 40 FHAB O=C(CCN1CCSC1=O)N[C@H](c1ccc(F)cc1)C1CCCC1 40118519 NHYOQDCRPNZBOQ-KRWDZBQOSA-N 350.459 3.732 0 40 FHAB COc1ccc(CN[C@@H](c2ccccc2)c2nccn2C)cc1OC(F)F 30643523 YDPDKIQLSMMGHI-SFHVURJKSA-N 373.403 3.909 0 40 FHAB C[C@H](O)CNc1nc2ccccc2n1Cc1coc(-c2cccs2)n1 21196859 SUILATLIGQKORV-LBPRGKRZSA-N 354.435 3.594 0 40 FHAB C[C@H](NC(=O)CN(C)c1ccc(Cl)nn1)c1cccc2ccccc12 32794769 JKFRCIWASHOEQN-ZDUSSCGKSA-N 354.841 3.597 0 40 FHAB CC(=O)N1N=C(c2ccncc2)OC1(Cc1ccccc1)Cc1ccccc1 1000670 ALPZHLKDTMZRRD-UHFFFAOYSA-N 371.440 3.804 0 40 FHAB O=C1C(=O)N(CN2CCc3sccc3[C@H]2c2ccccc2)c2ccccc21 23908049 LOJKBWYGWMLDBL-HXUWFJFHSA-N 374.465 3.883 0 40 FHAB Cc1ccc(CC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 24933686 JOQSYSMXEKQDNS-NRFANRHFSA-N 359.473 3.976 0 40 FHAB O=C(O)CC12CC3C[C@](Br)(C1)C[C@@](Br)(C3)C2 844852 XXNSAMQEVRDCDN-JZOPBLKISA-N 352.066 3.713 0 40 FHAB O=C(c1ccccc1)[C@@H](c1ccccc1)N(CCO)C(=O)c1ccccc1 1594057 KPLZIONRMSSKNL-OAQYLSRUSA-N 359.425 3.745 0 40 FHAB CCCCc1ccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)cc1 3085384 PHCWIYJUXFKPAD-UHFFFAOYSA-N 358.869 3.980 0 40 FHAB CCc1nc(SCC(=O)c2ccc3c(c2)OCCO3)c2ccccc2n1 4217202 DZUYFLJEVDDPOT-UHFFFAOYSA-N 366.442 3.938 0 40 FHAB CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc3ccccc13)CC(=O)N2 4944292 UCIPDVALXWVEJL-CQSZACIVSA-N 351.431 3.509 0 40 FHAB Cn1c(SC(=O)c2cc(Br)ccc2O)nc2ccccc21 7343477 VRZPUBJZZSJQGP-UHFFFAOYSA-N 363.236 3.974 0 40 FHAB Cc1cc(C)cc(OCC(=O)OCC(=O)N(Cc2ccccc2)C(C)C)c1 3249438 KEJFWHIDJQHHTM-UHFFFAOYSA-N 369.461 3.663 0 40 FHAB Cc1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)cc2=O)c(C)c1 57477797 PEXQLKJEMHASCL-UHFFFAOYSA-N 365.408 3.613 0 40 FHAB c1ccc2oc(-c3n[nH]c(Nc4ccc(N5CCOCC5)cc4)n3)cc2c1 8928350 UYSZORZTDAMSNY-UHFFFAOYSA-N 361.405 3.798 0 40 FHAB Cc1ccc(C)c(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1 1929362 MQAVNQBUERBSQM-GFCCVEGCSA-N 372.490 3.606 0 40 FHAB CC(C)(C)c1nc(CN[C@@H](C(=O)Nc2ccccc2)c2ccccc2)no1 58163564 LFBQUEPAXZMQMA-GOSISDBHSA-N 364.449 3.837 0 40 FHAB O=C(NC1CC1)c1cccc(NC(=O)c2ccc(Br)s2)c1 9836628 LUCNNCCLIPEMTK-UHFFFAOYSA-N 365.252 3.655 0 40 FHAB COc1ccc2nc(C)c(C(=O)NCc3ccc([C@@H](C)O)cc3)cc2c1 58433077 FXLNJSOVNVRSCU-CQSZACIVSA-N 350.418 3.535 0 40 FHAB C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]12 101357052 BYVFOFBKVZWNOW-GVAFMPQTSA-N 371.742 3.582 0 40 FHAB COc1cccc(-c2nnc3sc(-c4ccc(N(C)C)cc4)nn23)c1 2265469 FCEVHOCLXNODMN-UHFFFAOYSA-N 351.435 3.594 0 40 FHAB CCn1cc(CN(C)C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cn1 28222026 KLAQAWMZNBRCMP-NSHDSACASA-N 356.253 3.636 0 40 FHAB Cc1cc(CNC(=O)NC2CCN(Cc3ccccc3C)CC2)ccc1F 45346129 WSSSPQGYQFHEOQ-UHFFFAOYSA-N 369.484 3.906 0 40 FHAB CC(C)=CC(=O)OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 11583080 XUFIKNJBSYPLQM-CQSZACIVSA-N 358.419 3.528 0 40 FHAB Cc1oc(-c2cccs2)nc1CC(=O)N[C@H]1CCOc2ccccc21 29492188 HHAXNXRCUSEESA-AWEZNQCLSA-N 354.431 3.894 0 40 FHAB O=C(c1cccnc1Oc1ccccc1)N1CCN(c2ccccc2)CC1 2571182 PEAZTGGRYJBVRR-UHFFFAOYSA-N 359.429 3.836 0 40 FHAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2CN(O)C[C@H]1C(=O)[C@]2(C)CC[C@H]1C2(C)C 100367398 LBABUPQHIRDXKV-FVZVSQOCSA-N 361.526 3.960 0 40 FHAB O=C(Nc1ccc2c(c1)CCC2)N(Cc1cccnc1)C[C@@H]1CCCO1 48299653 SMAJPEJBWGQORR-FQEVSTJZSA-N 351.450 3.783 0 40 FHAB CC(C)NC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1 12137716 BMGVDNRSZWDVPV-UHFFFAOYSA-N 362.429 3.996 0 40 FHAB COc1ccccc1CNC(=O)C1=Cc2cc(Br)ccc2OC1 10368726 BTHYGXRQEMJQNQ-UHFFFAOYSA-N 374.234 3.550 0 40 FHAB CC(C)S(=O)(=O)c1ccccc1C(=O)N1CCCc2ccc(F)cc21 58172013 REJHWLKNUXCYCG-UHFFFAOYSA-N 361.438 3.601 0 40 FHAB Cc1ccsc1C(=O)O[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl 3347804 UNRFRANJKRUHRH-MRVPVSSYSA-N 359.234 3.942 0 40 FHAB O=C(CCNC(=O)c1ccsc1)Nc1cc(Cl)cc2cccnc12 12825549 UDVNXVNBUCHMKE-UHFFFAOYSA-N 359.838 3.708 0 40 FHAB CCCC[C@@H](c1nnnn1C1CCCC1)N1CCN(C2CCCCC2)CC1 20121716 RDWKFJIHDGZGEQ-FQEVSTJZSA-N 374.577 3.970 0 40 FHAB O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1cc(Cl)cc(Cl)c1 12820661 XDOQLPMNGYSJMN-UHFFFAOYSA-N 365.138 3.813 0 40 FHAB COC(=O)[C@H](C)Sc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 12804461 FLQUDTHQWNKDFF-NSHDSACASA-N 366.508 3.844 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2o1 3503829 CFCPHONVNCNNJG-UHFFFAOYSA-N 356.403 3.735 0 40 FHAB O=C(CN1CCN(C/C=C/c2ccccc2)CC1)c1c[nH]c2ccccc12 20827785 DTZMMHDSJOZOTQ-RMKNXTFCSA-N 359.473 3.682 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 13012075 ZWOWCGKXFBOVBK-IAGOWNOFSA-N 364.449 3.563 0 40 FHAB CCc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)OC)c3c2)cc1 4134587 JCLMZLBYZHBYJR-UHFFFAOYSA-N 373.430 3.891 0 40 FHAB CN(C)CCCNC(=O)C[C@H](c1ccccc1)c1cc(Cl)ccc1O 13654863 XRTLUDMUVOHVAX-QGZVFWFLSA-N 360.885 3.636 0 40 FHAB CCCC(=O)N1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)cc1OC 6263771 JIMJQWPAOQTXPM-JRGCBEDISA-N 361.482 3.699 0 40 FHAB biogenic Cc1noc2nc(-c3ccccc3)cc(C(=O)OCC(=O)c3ccc[nH]3)c12 9337609 FUGJRNFIEOAEJL-UHFFFAOYSA-N 361.357 3.566 0 40 FHAB C[C@@H](CNC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1)c1ccccc1 65608374 FDFCFDQJFNLJLP-QWHCGFSZSA-N 372.519 3.776 0 40 FHAB CCOC(=O)N1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)cc1OC 6463581 LCFDWUSJFVKNSI-IMFGXOCKSA-N 363.454 3.528 0 40 FHAB biogenic CCOc1ccc(NC(=O)CSCC(=O)Nc2cccc(C)c2)cc1 4670379 RIVWJANNYNLVGT-UHFFFAOYSA-N 358.463 3.704 0 40 FHAB COc1ccc(N2C(=O)[C@@H](CN3CCCCC3)[C@H]2c2ccccc2)cc1 5720511 LLCAMQMPRIAKTP-LEWJYISDSA-N 350.462 3.885 0 40 FHAB O=c1c2sccc2n(Cc2cccc(Cl)c2)c(=O)n1-c1ccccc1 4882222 KBCVQIXJIMFFAL-UHFFFAOYSA-N 368.845 3.916 0 40 FHAB COc1ccc(OCCOC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1 7545019 OBYOWPHGKHRSBF-CQSZACIVSA-N 362.809 3.522 0 40 FHAB CC(=O)COC(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1 7859882 OQGOKJYXJRXOMS-OUKQBFOZSA-N 360.413 3.744 0 40 FHAB COc1cccc(Nc2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)c1 7843704 FJMBMYZLPUHXOV-UHFFFAOYSA-N 353.403 3.893 0 40 FHAB O=C(CSc1nnnn1C1CC1)Nc1ccccc1Oc1ccccc1 8232662 BZXUTZDJCIJBKV-UHFFFAOYSA-N 367.434 3.531 0 40 FHAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3cc(Cl)c[nH]3)n2)C1 22295568 NYPQMMHWPUOVOQ-PHIMTYICSA-N 352.891 3.855 0 40 FHAB CC(=O)NCCc1ccc(-c2csc(NC(=O)c3cccs3)n2)cc1 8776324 MPBBBJKPFDHXCV-UHFFFAOYSA-N 371.487 3.803 0 40 FHAB Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1 8726804 AJELBBGCWHNEQK-UHFFFAOYSA-N 352.434 3.756 0 40 FHAB Cc1cccc(C(=O)N[C@@H](NCc2ccco2)C(Cl)(Cl)Cl)c1 19315679 NXQDXAISZJCKNM-CQSZACIVSA-N 361.656 3.804 0 40 FHAB CC(C)[C@@H](NS(=O)(=O)CC1CCCCC1)c1ccc2c(c1)OCCO2 72230433 VTLKKEVKBMHJNY-LJQANCHMSA-N 367.511 3.655 0 40 FHAB O=C(c1ccoc1)N1CCC(N[C@H](c2ccccc2)c2ccncc2)CC1 95967467 XOFUTPNABFQAIS-OAQYLSRUSA-N 361.445 3.658 0 40 FHAB O=C(CNCc1ccccc1Cl)Nc1ccc(Br)cc1 95351432 AKISPAQWLQGKAJ-UHFFFAOYSA-N 353.647 3.831 0 40 FHAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(C)cc2)c(F)c1F 408623987 ACOJRRAJQWSNIG-UHFFFAOYSA-N 372.343 3.687 0 40 FHAB C[C@@H]1CN(C(=O)NCCc2c(F)cccc2F)C[C@@H](c2ccccc2)O1 84714048 XHDOAFRSCMJRFB-KUHUBIRLSA-N 360.404 3.679 0 40 FHAB COC(=O)c1ccoc1CC1CCN(C(=O)[C@H](C)c2ccsc2)CC1 95451923 IHTYEQZCYCGZSD-CYBMUJFWSA-N 361.463 3.713 0 40 FHAB COC(=O)c1cccc(NC(=O)COc2cccc(C(F)(F)F)c2)c1 26990667 VDELZOLLVCFPJW-UHFFFAOYSA-N 353.296 3.510 0 40 FHAB CCC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 408549365 YIBIQAZRVAKROJ-HNNXBMFYSA-N 360.479 3.714 0 40 FHAB CN(C)C(=O)CN1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 72349534 UUQPRSWDVWXJRG-KRWDZBQOSA-N 371.912 3.593 0 40 FHAB CCCCN(C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)C1CC1 32796977 HQXUPVRVSZSGRV-UHFFFAOYSA-N 358.869 3.955 0 40 FHAB CCc1noc(-c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)n1 33012606 HFQYWUPOQXHRFZ-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB COc1ccccc1OCCNC(=O)CSCc1cccc(Cl)c1 31357758 NAZDLFTZFXYKRS-UHFFFAOYSA-N 365.882 3.777 0 40 FHAB Cc1ccc2nc(CSc3ccccc3NC(=O)C(C)C)cc(=O)n2c1 33025899 SHFOLYONDNGZDT-UHFFFAOYSA-N 367.474 3.890 0 40 FHAB CC1=C[C@@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@H]1Cc1nc2ncccc2[nH]1 72320808 ZSBJUJRRNBAXIC-BZSNNMDCSA-N 366.509 3.881 0 40 FHAB biogenic,in-vitro CC(C)Oc1ccc(CNC(=O)C(=O)Nc2ccccc2C(C)C)cc1 42646480 UWQUFBPHZBQVHI-UHFFFAOYSA-N 354.450 3.852 0 40 FHAB C[C@@H](C(=O)NCCc1ccc(O)cc1)c1ccc(C[C@@H]2CCCC2=O)cc1 575443396 WBMVRNRMMUSDEF-UZLBHIALSA-N 365.473 3.766 0 40 FHAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1 224223472 VRQFQPSESZOPIU-FQEVSTJZSA-N 370.468 3.620 0 40 FHAB O=C(Nc1ccccc1)c1cccc(Cn2c(-c3ccccc3)noc2=O)c1 64368545 RZLBONKOCUCPCB-UHFFFAOYSA-N 371.396 3.804 0 40 FHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)CN1CCN(c2ccccc2)CC1 239358415 NGGKDTCGSHXTLI-CWKRKGSWSA-N 374.569 3.647 0 40 FHAB CC(C)c1noc([C@H](NCc2cccc3[nH]ccc23)C2CCOCC2)n1 583622102 NUZYAVPYMZLYAD-GOSISDBHSA-N 354.454 3.932 0 40 FHAB Cc1cccnc1N1CCC2(CC1)C[C@H](N(C)Cc1ccccc1)CO2 96221031 ALJWKZORBYEDIY-FQEVSTJZSA-N 351.494 3.650 0 40 FHAB Cc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)s1 96056578 BLAFIJGWIPHQNI-IAGOWNOFSA-N 361.536 3.587 0 40 FHAB NC(=O)O[C@@H]1CCN(CCCC(=O)c2ccc(F)cc2)[C@H]2CCCC[C@H]21 256000355 RVPQELWEPXXXPC-ZIFCJYIRSA-N 362.445 3.517 0 40 FHAB CN(C)Cc1cc([C@H]2CC[C@H](CN(C)C(=O)C[C@@H]3C=CCC3)CC2)nn1C 257257912 KRPCGJGUTDFNKL-GUDVDZBRSA-N 372.557 3.570 0 40 FHAB O=C(c1cccnn1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257332547 XXUBLHRHTSOMQF-SFHVURJKSA-N 366.396 3.562 0 40 FHAB Cc1cc(N2CCC[C@]2(C)c2ccc(C(F)(F)F)cc2)n2ncnc2n1 1652134870 FVOGEQQGNRIMOX-QGZVFWFLSA-N 361.371 3.967 0 40 FHAB COc1ccc(S(=O)(=O)NCc2ccc(-c3ccoc3)cc2)c(C)c1 390831295 RBZPVOCXTYZDTA-UHFFFAOYSA-N 357.431 3.742 0 40 FHAB COC1CCN(CC(=O)Nc2ccccc2Sc2ccccc2)CC1 53897215 DVSXWDLKUPQTBV-UHFFFAOYSA-N 356.491 3.887 0 40 FHAB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)Cc1noc2ccccc12 57252683 YPEKQEOQKWBOOJ-HNNXBMFYSA-N 352.438 3.516 0 40 FHAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H]3COc4cc(F)cc(F)c43)c12 680154277 KFFQBTIHBMAILB-CQSZACIVSA-N 371.343 3.550 0 40 FHAB O=C(NC1CCCCC1)[C@@H]1CN(CC2CC2)[C@H]2c3ccccc3OC[C@@H]12 1772595910 SALMHOMEFYVNJP-DYXWJJEUSA-N 354.494 3.527 0 40 FHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc(C(=O)OC)c1C 14399611 FYWGIEARXFVEGW-SFHVURJKSA-N 357.406 3.586 0 40 FHAB CCN1CCC[C@H]1CN(Cc1ccccn1)Cc1c(C)nn(C(C)C)c1C 19527150 BBBMHGMCHNMNIY-NRFANRHFSA-N 369.557 3.962 0 40 FHAB CCN(C(C)=O)[C@H]1CN(C(=O)Cc2ccc(F)cc2)C2(CCCCC2)C1 19695922 VEIREWQSQMOUNY-LJQANCHMSA-N 360.473 3.540 0 40 FHAB Cc1nc(C)c(F)c(OCC2CCN(c3ncnc4sccc34)CC2)n1 1888900984 UPBWWBJYNQKYMC-UHFFFAOYSA-N 373.457 3.533 0 40 FHAB Brc1ccc(OCCSC2=N[C@H]3CCCC[C@@H]3N2)cc1 14196657 PPILQTAUVKFEMP-KBPBESRZSA-N 355.301 3.832 0 40 FHAB CC(C)Cc1cc(-c2nnc3sc(-c4cc(F)ccc4F)nn23)n(C)n1 79493183 AGAGPMQFMHOVHD-UHFFFAOYSA-N 374.420 3.730 0 40 FHAB C[C@]1(C(=O)N2CCc3ncnc(-c4ccsc4)c3CC2)CC=CCC1 1614932375 BMUROZIUNJSIFW-FQEVSTJZSA-N 353.491 3.879 0 40 FHAB CCC(=O)N1CCc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2C1 9035201 FYBTUERPFIRJHS-UHFFFAOYSA-N 372.852 3.652 0 40 FHAB CCCN1C(=O)CCc2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc21 9107239 XJORLLAVGSXMAG-UHFFFAOYSA-N 368.433 3.645 0 40 FHAB O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)Nc1ccc2c(c1)OCO2 1775969072 WIOKEPWYSSZJJA-CYBMUJFWSA-N 372.402 3.592 0 40 FHAB Cn1cc([C@H]2CCCCN2C(=O)c2cccc(OC(F)(F)F)c2)cn1 548016055 BTCUIUKOPSZYIM-OAHLLOKOSA-N 353.344 3.686 0 40 FHAB Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)no2)cc1 27581005 NDGVCXRSYFITAH-UHFFFAOYSA-N 361.445 3.608 0 40 FHAB C[C@@H](CNC(=O)c1cc(F)cc2[nH]c(=S)[nH]c12)N1CCc2ccccc21 40155442 YZRRLAVTAWZXTI-NSHDSACASA-N 370.453 3.546 0 40 FHAB COc1ccc(Cl)cc1CN[C@@H](CN1CCCC1=O)c1ccccc1 40153252 WWGWJZIQDFLSHH-SFHVURJKSA-N 358.869 3.802 0 40 FHAB CCC(=O)c1ccc(OCC(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 32322708 BKMRLFIPBTZMRY-UHFFFAOYSA-N 351.402 3.816 0 40 FHAB Cc1ccccc1OCCN(C)CCC(=O)NCc1ccccc1Cl 21320884 NJTBSHMRHYBGDZ-UHFFFAOYSA-N 360.885 3.666 0 40 FHAB Cc1nc(Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cs1 32825931 OPCKKGMOMXKDJK-UHFFFAOYSA-N 350.490 3.569 0 40 FHAB O=C(Nc1cccc(Oc2cnccn2)c1)c1cncc(Br)c1 32817560 PPFNEMUTLZNBGM-UHFFFAOYSA-N 371.194 3.679 0 40 FHAB CCCc1nnc(S)n1CC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 32830447 QCZZMVDUZGTURB-UHFFFAOYSA-N 373.482 3.597 0 40 FHAB O=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 32817151 AALUEQSCAOJWRR-UHFFFAOYSA-N 357.475 3.974 0 40 FHAB CCOc1ccccc1[C@H]1Nc2ccccc2C(=O)N1C[C@H]1CCCO1 52806456 OSPPSHSARYAVOF-QRWLVFNGSA-N 352.434 3.831 0 40 FHAB Cc1ccc(Cn2cnc3sc(C(=O)OC(C)C)c(C)c3c2=O)cc1 646386 LQGMMDKZZLQMHD-UHFFFAOYSA-N 356.447 3.688 0 40 FHAB Cc1ccccc1[C@@H](C)NC(=O)CCC(=O)c1ccc2c(c1)OCCO2 42162299 DZFCXAGHERSBNW-OAHLLOKOSA-N 353.418 3.607 0 40 FHAB CCCn1c2ccccc2c2nnc(SCC(=O)NC3CCCC3)nc21 718275 ONASQNKBEWUZSQ-UHFFFAOYSA-N 369.494 3.540 0 40 FHAB O=C(NC[C@@H]1COc2ccccc2C1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 104653753 OIYSVRIOPDKEID-OJYSUCSVSA-N 359.897 3.932 0 40 FHAB Cc1cccc(OCc2nnc(S[C@H](C)C(=O)O)n2-c2ccccc2)c1 916857 CROFBTSYMPSDOM-CQSZACIVSA-N 369.446 3.720 0 40 FHAB COc1ccccc1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 933543 ZMDRHMUUHRKSQG-UHFFFAOYSA-N 373.459 3.647 0 40 FHAB CCCCOC(=O)n1c(SCC(=O)N(CC)CC)nc2ccccc21 3117235 LUJSYDFUNNSSOM-UHFFFAOYSA-N 363.483 3.782 0 40 FHAB Cc1ccc(C(=O)OCc2c(C)noc2C)cc1NC(=O)c1ccco1 3284527 LOOKELUVYUEYLS-UHFFFAOYSA-N 354.362 3.802 0 40 FHAB S=C(NC[C@H]1CCCO1)NNc1c(Cl)cc(Cl)cc1Cl 3341621 BMYWWESLNJDNCA-MRVPVSSYSA-N 354.690 3.617 0 40 FHAB COc1cccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)c1OC 4479374 GNOFNHCSVHPGAU-UHFFFAOYSA-N 359.769 3.660 0 40 FHAB Clc1ccc(-c2nnc3sc(-c4ccc5c(c4)OCO5)nn23)cc1 4511682 LBXGAEMFPTUXKC-UHFFFAOYSA-N 356.794 3.902 0 40 FHAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc3c(C)c(C)ccc3s2)c1 5241398 HBZJGCSNEFZXJG-UHFFFAOYSA-N 374.487 3.959 0 40 FHAB COc1ccc(C)cc1NC(=O)c1cccn(Cc2ccccc2F)c1=O 5270445 VFPCVASWNIECLB-UHFFFAOYSA-N 366.392 3.605 0 40 FHAB CCc1ccc(S(=O)(=O)Nc2ccc(C)c(N3CCCC3=O)c2)s1 5329583 AJFHTKKMCOLPGW-UHFFFAOYSA-N 364.492 3.547 0 40 FHAB CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)cc1 5474961 YFCXIDPMHDKJNM-UHFFFAOYSA-N 355.390 3.508 0 40 FHAB COc1ccc([C@@H](CC(C)=O)c2c(O)c3ccccc3oc2=O)cc1OC 5601970 AAMIVUBVHCMYOS-OAHLLOKOSA-N 368.385 3.627 0 40 FHAB O=C(COC(=O)Cc1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1 5634273 RQAKYVLRUOCBHF-UHFFFAOYSA-N 355.287 3.569 0 40 FHAB CCCC[C@H]1C[C@](C)(C(=O)CSc2nc(-c3ccccc3)n[nH]2)OC1=O 5849809 QYUGBJNYJPZQLB-IFXJQAMLSA-N 373.478 3.645 0 40 FHAB CCOc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)CC)c2)cc1 5945985 HCOYSITUICBVKS-UHFFFAOYSA-N 371.462 3.561 0 40 FHAB CCOc1ccc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 5980369 GMSYIUUKFNRWIP-UHFFFAOYSA-N 367.449 3.968 0 40 FHAB O=C(NCCCO)c1cc2c([nH]c3ccccc32)c(-c2ccc(F)cc2)n1 6112649 QHJPVMYFNAVMKR-UHFFFAOYSA-N 363.392 3.634 0 40 FHAB biogenic C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cccc(Br)c1 6383715 UCZUBHJHGAKSKQ-LBPRGKRZSA-N 374.234 3.584 0 40 FHAB Cc1ccc(C)c(C(=O)COc2ncnc3c2cnn3-c2ccccc2)c1 6543701 HTAJYJASAKWNIR-UHFFFAOYSA-N 358.401 3.694 0 40 FHAB CCCCN1CN(CCCN2CCCCC2)Cn2c1nc1ccccc12 6590327 IMNBOMJDFHSIJS-UHFFFAOYSA-N 355.530 3.749 0 40 FHAB O=C([C@@H](Sc1nnc2ccccn12)c1ccccc1)N1CCCCC1 7111427 WYFSVYCCJRHXSV-KRWDZBQOSA-N 352.463 3.575 0 40 FHAB CCNc1nnc(SCC(=O)c2cccc(Br)c2)s1 7246300 OISJIEZSGLZABX-UHFFFAOYSA-N 358.286 3.707 0 40 FHAB COc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)no2)cc1 7605017 RVELGPYJOSCEJM-UHFFFAOYSA-N 355.419 3.784 0 40 FHAB Cc1ccc(-c2noc(CNC(=O)CCCOc3ccccc3)n2)cc1 7759817 YLUKOPPKLDKQFH-UHFFFAOYSA-N 351.406 3.520 0 40 FHAB COc1ccc(COC(=O)CSc2ncnc3sccc23)cc1F 7785262 AEHYXMXYWYAJEW-UHFFFAOYSA-N 364.423 3.675 0 40 FHAB O=C(Nc1ccc(Br)cc1)c1cccc(N2CCCC2=O)c1 7918047 FZCCDDSPIJEHCA-UHFFFAOYSA-N 359.223 3.828 0 40 FHAB COc1ccc(CCNC(=O)CCc2nc3ccccc3s2)cc1OC 8115648 FAKHZGUMZSJFGE-UHFFFAOYSA-N 370.474 3.605 0 40 FHAB CC(=O)Nc1cccc(OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)c1 8314416 ANGMDGGVHXOOSZ-LJQANCHMSA-N 370.449 3.504 0 40 FHAB COc1ccccc1-c1nnc(S[C@H](C)C(=O)N(C)c2ccccc2)o1 8339445 QBIUMHNISUZPTF-CYBMUJFWSA-N 369.446 3.889 0 40 FHAB Cc1cccc(NC(=O)c2cccc(NC(=O)CCCC(=O)O)c2)c1C 8434583 BLCUVCPKJTWCMR-UHFFFAOYSA-N 354.406 3.749 0 40 FHAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1cc(C(=O)OC)ccc1C 8480447 QPYFTGHOSCNSNY-INIZCTEOSA-N 357.406 3.586 0 40 FHAB Cc1ccccc1NC(=O)CSc1nnc(COc2ccccc2C)o1 8571390 LMEHJDWMCKTWJL-UHFFFAOYSA-N 369.446 3.996 0 40 FHAB O=C(O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccccc1Cl 8780044 WVIIGANCWBZAQT-UHFFFAOYSA-N 364.792 3.893 0 40 FHAB NC(=O)c1ccsc1NC(=O)COc1ccc(Cl)c2ccccc12 9313887 GUXODWXCSXJLDG-UHFFFAOYSA-N 360.822 3.671 0 40 FHAB C[C@H](Sc1n[nH]c2nc3ccccc3n12)C(=O)c1ccc(F)cc1F 9466493 IHXACPDCOBZVGM-VIFPVBQESA-N 358.373 3.852 0 40 FHAB CCOc1ccccc1OCC(=O)N1CCc2[nH]c3ccccc3c2C1 9900217 BLFXIFVRJNXOSA-UHFFFAOYSA-N 350.418 3.530 0 40 FHAB Cn1cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cn1 10235922 YKBBKEYWSQARPG-UHFFFAOYSA-N 360.870 3.703 0 40 FHAB O=C(CSc1nc(-c2ccco2)nc2ccccc12)Nc1ccon1 10849170 HAAJBQRQNVLDPV-UHFFFAOYSA-N 352.375 3.609 0 40 FHAB CSCc1c(C(=O)NCCc2ccc3c(c2)OCO3)oc2ccccc12 12758587 FAVLRDHQVOQQRG-UHFFFAOYSA-N 369.442 3.997 0 40 FHAB CCN1CCC(N(C)S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)CC1 12771963 OAEQNRQOFVLLRH-UHFFFAOYSA-N 366.571 3.706 0 40 FHAB O=C(Nc1ncccc1O)c1csc(COc2ccc(Cl)cc2)n1 12822655 HQJRZMRQAAOYFH-UHFFFAOYSA-N 361.810 3.728 0 40 FHAB Cc1cc(C)c(OCC(=O)OCC(=O)NC2CCCCCCC2)c(C)c1 12938784 CWLADNIKGRPWNC-UHFFFAOYSA-N 361.482 3.763 0 40 FHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1ccc(C)cc1C 12989541 BMCOHFUOLKPJBE-UHFFFAOYSA-N 363.461 3.521 0 40 FHAB COC(=O)[C@H](Cc1ccccc1Cl)c1cc(=O)oc2cc(OC)ccc12 13728561 MYZVMQSIMSKEGO-MRXNPFEDSA-N 372.804 3.954 0 40 FHAB CCc1ccc(C(=O)Nc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1 13957472 SMAHLTLDFCDADJ-UHFFFAOYSA-N 363.446 3.976 0 40 FHAB CC(C)n1c(SCC(=O)c2ccc[nH]2)nc2sc3c(c2c1=O)CCC3 14095963 CJIGTKHYQFRTEO-UHFFFAOYSA-N 373.503 3.831 0 40 FHAB CC[C@]1(c2ccccc2)NC(=O)N(Cc2cc(-c3ccccc3)on2)C1=O 14187130 LVTQLLQPXQDXIB-OAQYLSRUSA-N 361.401 3.699 0 40 FHAB CN(Cc1nc2ccccc2s1)Cc1ccccc1N1CCOCC1 15039337 RNFVYNOINUMJAU-UHFFFAOYSA-N 353.491 3.765 0 40 FHAB COc1ccccc1-c1noc(CCC(=O)Nc2cc(F)cc(F)c2)n1 15081921 PPWRGBKSKJQWMK-UHFFFAOYSA-N 359.332 3.595 0 40 FHAB COCCNc1nc(SC)nc(Cl)c1Cc1ccc(OC)cc1 15566325 SRNGNYVSESYVHJ-UHFFFAOYSA-N 353.875 3.510 0 40 FHAB O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCc1ccccn1 16850302 BEPROEQPDFPCAQ-UHFFFAOYSA-N 358.854 3.794 0 40 FHAB CC(C)(C)C(=O)N[C@H](c1ccccn1)C1CCN(Cc2cccnc2)CC1 19082087 HAFKROXHWAGUBR-FQEVSTJZSA-N 366.509 3.592 0 40 FHAB CCn1cc(-c2cc(C(=O)Nc3c(C)ccc4cccnc34)on2)c(C)n1 19524725 QWMDKPOUJUMSJI-UHFFFAOYSA-N 361.405 3.975 0 40 FHAB Cc1cc(C)n(C2CCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)n1 19656691 QKARPBDLQXAMAN-UHFFFAOYSA-N 353.445 3.662 0 40 FHAB O=C(Nc1n[nH]c(CC2CCCCC2)n1)c1c[nH]nc1-c1ccccc1 19663110 UYPWPLZIYVCINZ-UHFFFAOYSA-N 350.426 3.570 0 40 FHAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(CN2CCCC2=O)cc1 20492175 GWXVCZLSGXFRBW-UHFFFAOYSA-N 356.853 3.735 0 40 FHAB CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(C2CCCCC2)CC1 22923118 ZITJEYGHRXEHNH-UXHICEINSA-N 363.590 3.658 0 40 FHAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)SCc1ccccc1 23933609 WQSUCUGUINWBRL-INIZCTEOSA-N 370.518 3.968 0 40 FHAB Cc1c(C(=O)N(C)Cc2nc3ccccc3s2)[nH]c2c1C(=O)CCC2 24073616 SHBFHOMPTRQHLS-UHFFFAOYSA-N 353.447 3.724 0 40 FHAB Cc1cc(-c2ccc(N3CCOCC3)c(F)c2)nc2cc3c(cc12)OCO3 24513336 XTHFIYUTYYJRNK-UHFFFAOYSA-N 366.392 3.915 0 40 FHAB COc1ccc2cc(CN(C)[C@@H](C(N)=O)c3ccc(F)cc3)ccc2c1 24529169 WPAARVCXQDYFRU-HXUWFJFHSA-N 352.409 3.646 0 40 FHAB COCc1cccc(NC(=O)Cn2c(-c3ccc(C)cc3)n[nH]c2=S)c1 25335342 SDMAOHXIWUDDJT-UHFFFAOYSA-N 368.462 3.701 0 40 FHAB COc1cc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2OC)c(C)c1 29046245 LIUYTZAUVCTOBF-UHFFFAOYSA-N 355.843 3.775 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1C 31665426 OFHWXPBHRIHJBX-QGZVFWFLSA-N 354.450 3.546 0 40 FHAB COc1ccc(-c2csc(CCNC(=O)c3ccccc3OC)n2)cc1 31848794 GWYYTJMQSMSTGI-UHFFFAOYSA-N 368.458 3.800 0 40 FHAB O=C(COc1ccccc1)Nc1ccc(O)c(-c2nc3cnccc3o2)c1 32091920 KANLGDXREOPLRZ-UHFFFAOYSA-N 361.357 3.613 0 40 FHAB CC(=O)Nc1cccc(CNC(=O)c2occc2COc2ccccc2)c1 32360257 WMVMDOQXVYVCQE-UHFFFAOYSA-N 364.401 3.747 0 40 FHAB Cc1ccc(-n2ccc(=O)c(-c3nc(-c4cccc(Cl)c4)no3)n2)cc1 33300378 HIAXGXYBCTXDPB-UHFFFAOYSA-N 364.792 3.911 0 40 FHAB COc1cc(C)c(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)cc1OC 33644543 LZZKWMRLQRVCQS-XNTDXEJSSA-N 366.373 3.519 0 40 FHAB CC(C)COc1ccc(C(=O)Nc2ccccc2N2CCN(C)CC2)cc1 33748035 KYAUWYNFSXMRSM-UHFFFAOYSA-N 367.493 3.726 0 40 FHAB Cc1ccc(SCC(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)cc1 40080186 HEJVNZMMBHLEQZ-QGZVFWFLSA-N 370.522 3.769 0 40 FHAB C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 40144877 OWVKFPPWOWLQLT-GHMZBOCLSA-N 357.281 3.866 0 40 FHAB CC(=O)N[C@@H](CC(=O)N1CCCc2c(F)cc(F)cc21)c1cccs1 41866512 LJLAVJUSTXNTEP-HNNXBMFYSA-N 364.417 3.573 0 40 FHAB O[C@@H](CO[C@H]1CCCc2ccccc21)Cn1cnc2cc(F)c(F)cc21 43646437 IFFIYJABSKZSLA-VLIAUNLRSA-N 358.388 3.770 0 40 FHAB CC[C@@H]1CCCCN1CCCNC(=O)[C@@H](C)Oc1cccc(Cl)c1 44899872 YGDPWPHHMVDSEE-NVXWUHKLSA-N 352.906 3.878 0 40 FHAB Cc1nccn1-c1ccccc1CNC(=O)CCSc1ccccc1 44899880 BEJXQHJWXNVUHP-UHFFFAOYSA-N 351.475 3.979 0 40 FHAB COCCn1c(SCc2cc(Cl)cc3c2OCOC3)nc(C)c1C 47560732 YUHXELQDUBNKTF-UHFFFAOYSA-N 368.886 3.959 0 40 FHAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)cc1 48345677 UMCVKBYNCVYEAJ-UHFFFAOYSA-N 368.414 3.877 0 40 FHAB O=C(NCc1nnc2n1CCCCC2)c1ccccc1Nc1ccccc1 48365422 ZUDJOOOYKZHTHN-UHFFFAOYSA-N 361.449 3.678 0 40 FHAB CC(C)c1sc(NC(=O)CCCn2cncn2)nc1-c1ccccc1 48369071 ZVTUCURPJBFDJZ-UHFFFAOYSA-N 355.467 3.944 0 40 FHAB COc1ncccc1NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 48414506 MFHZYMRZPMHDEA-INIZCTEOSA-N 369.421 3.621 0 40 FHAB Cc1c(C(=O)NCc2cccc(Cl)c2)nnn1-c1cccc(Cl)c1 51317651 MRGRKMCWDQGCKE-UHFFFAOYSA-N 361.232 3.813 0 40 FHAB CNC(=O)CN(C)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 55201970 PLLCNPWPPFRIAX-UHFFFAOYSA-N 365.669 3.680 0 40 FHAB C[C@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccccc1Cl 57456353 WAMSXFMAAJBNQR-ZDUSSCGKSA-N 371.868 3.522 0 40 FHAB O=S(=O)(c1cccs1)N(CCc1ccccc1)Cc1ccccn1 62017939 VFKWDWZUGNXFGW-UHFFFAOYSA-N 358.488 3.577 0 40 FHAB Cc1ccc(F)c(C(=O)O[C@@H](C(=O)Nc2ccccc2F)C(C)C)c1N 64184726 LPHTXOMWQRKSCS-QGZVFWFLSA-N 362.376 3.676 0 40 FHAB Cc1ccc(Cn2c(=O)n(-c3cccc(C)c3)c(=O)c3sccc32)cc1 67258109 BFTKPEPCPSRXNS-UHFFFAOYSA-N 362.454 3.879 0 40 FHAB O=C(NC[C@H](Cc1ccccc1)NC(=O)[C@H]1CC=CCC1)[C@@H]1CC=CCC1 68567353 UZKORHJNMPCSSQ-HKBOAZHASA-N 366.505 3.543 0 40 FHAB CC1CCN(C(=O)c2ccc(NC(=O)CC3(C(=O)O)CCCC3)cc2)CC1 71819496 RPUKWOXMAAPLAO-UHFFFAOYSA-N 372.465 3.532 0 40 FHAB CCOC(=O)[C@@H](NC(=O)CCc1nc(C)c(-c2ccccc2)o1)[C@H](C)CC 72303232 GJTAJQXGLVCCQE-KUHUBIRLSA-N 372.465 3.677 0 40 FHAB CCOC(=O)c1sc(NC(=O)c2cc3cc(F)ccc3n2C)nc1C 72403240 SWXBCXHTOABDJY-UHFFFAOYSA-N 361.398 3.511 0 40 FHAB C=CC(=O)Nc1ccc(C(=O)N2CCSC[C@@H]2c2ccc(C)o2)cc1 72533538 ZNMNWVPIPRYCQV-MRXNPFEDSA-N 356.447 3.643 0 40 FHAB Cc1ccc(NC(=O)CNc2ccc(C)c(N3CCOC3=O)c2)c(C)c1 76092566 PELWURGDHHQUMA-UHFFFAOYSA-N 353.422 3.619 0 40 FHAB O=C(Oc1ccccc1C(F)(F)F)[C@H]1CCCN(c2nccs2)C1 76774251 GOZYKIJEUZEFCC-NSHDSACASA-N 356.369 3.984 0 40 FHAB O=C(NCc1ccccc1CN1CCCC1=O)c1ccc2c(c1)CCCC2 79117308 VEEUFAFTOWQEMP-UHFFFAOYSA-N 362.473 3.618 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H]1SCC(O)=Nc2[nH]ncc21 79484625 OQRIPZLMBLJAJN-INIZCTEOSA-N 357.414 3.776 0 40 FHAB CC[C@H](C(=O)NCc1cc(-c2ccco2)n(CCOC)n1)c1ccccc1 85556150 GRTNEQUYCZIDFJ-SFHVURJKSA-N 367.449 3.600 0 40 FHAB CSc1ccc([C@H](O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 96103112 DHCFXBOJSTZDIW-OAHLLOKOSA-N 355.381 3.891 0 40 FHAB COc1ccc(C[C@H]2CN(C(=O)c3ccccc3C)CC[C@@H]2OC)cc1 96110567 DKWLAPXTRCSERY-RXVVDRJESA-N 353.462 3.723 0 40 FHAB COc1ccc(-c2noc([C@@H](C)NC(=O)C3CCCCC3)c2C(=O)O)cc1 96296923 RPCXUJOSIRWUJL-GFCCVEGCSA-N 372.421 3.806 0 40 FHAB biogenic,in-vitro CCS(=O)(=O)C(Cl)(Cl)[C@H](O)c1ccc(-c2ccccc2)cc1 96519654 TUTJAMHMUHBWFB-OAHLLOKOSA-N 359.274 3.953 0 40 FHAB CN(Cc1cc(-c2ccccc2)n[nH]1)Cc1cnc(N2CCCC2)s1 97347263 OKNFRHYKBJRIHG-UHFFFAOYSA-N 353.495 3.765 0 40 FHAB COc1cccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccccc2)c1 100423379 OCRUJRRLNYMPPK-WOJBJXKFSA-N 350.462 3.621 0 40 FHAB COc1ccc(N2C(=O)C[C@H](Nc3cccc(Cl)c3Cl)C2=O)cc1 101276009 NIJDLGLOBNSYNV-AWEZNQCLSA-N 365.216 3.746 0 40 FHAB CCOc1cc(/C=C2/NC(=S)N(c3ccccc3CC)C2=O)ccc1O 105556310 GDFIYVXQFABISW-RVDMUPIBSA-N 368.458 3.616 0 40 FHAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 118915276 XZTUSOXSLKTKJQ-BXCGGYONSA-N 374.521 3.604 0 40 FHAB in-vitro CCCCN(C)C(=O)[C@H]1Cc2ccccc2CN1Cc1ccc(O)cc1 199425589 YAKWRZGBROHRIN-OAQYLSRUSA-N 352.478 3.578 0 40 FHAB Cc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3ccccc3Cl)n2)c1 219061813 JSGXOOYKAHLMAI-ZDUSSCGKSA-N 371.824 3.782 0 40 FHAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 224076881 SIXVLTILPFEXGF-LJQANCHMSA-N 366.505 3.524 0 40 FHAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCC2=CCCCC2)cc1 225102318 YIQFTRPVIOKKQC-ZHZULCJRSA-N 364.445 3.976 0 40 FHAB Cn1c(/C=C2/SCCN2C(=O)c2cccc(F)c2)nc2ccccc21 225237561 IREKVWNMCGIJOE-LDADJPATSA-N 353.422 3.900 0 40 FHAB O=C(c1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1)N1CCCCC1 225324807 WUAKLUBTVUUSBL-LESCRADOSA-N 357.523 3.788 0 40 FHAB CSc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1NC(C)=O 225721167 SEWWXWZJKKWBTQ-UHFFFAOYSA-N 368.524 3.536 0 40 FHAB O=C1C[C@]2(CC[C@@H]3[C@H](C(=O)NCc4cccc(F)c4)[C@@H]32)Oc2ccccc21 247787995 ALNBJXJLAPYGHK-QEMXTEJRSA-N 365.404 3.502 0 40 FHAB Cc1ccc2c(c1)OC1(CCN(Cc3cnn(C)c3)CC1)[C@H]1CCCO[C@H]21 257234781 GVBRUTACUKWCBL-PZJWPPBQSA-N 367.493 3.623 0 40 FHAB Cc1ncsc1-c1ccc(C(=O)N2CCC[C@]3(C)NCCCC[C@H]23)cn1 257236302 HBNSPVHCZCQMOB-PXNSSMCTSA-N 370.522 3.650 0 40 FHAB Cc1cc(-c2ccc(C(=O)O)cc2)nc([C@@H]2CCN(C(=O)C(C)(C)C)C2)n1 257240880 HVNRWQAZCBNOOG-MRXNPFEDSA-N 367.449 3.512 0 40 FHAB O=C(CCc1ccccc1)N1CCCC[C@H]1c1nnc(-c2ccncc2)o1 257273919 NIUBKTGIMBTIBJ-SFHVURJKSA-N 362.433 3.818 0 40 FHAB CC(C)(C)C(=O)N1CC[C@H](Cc2ccc(-c3cccc(C(=O)O)c3)nc2)C1 257312009 ULZWFEKTTRWWLP-MRXNPFEDSA-N 366.461 3.884 0 40 FHAB O=C(NC1CC1)C1(Cc2ccc(-c3ccncc3)cc2F)CCOCC1 257334652 YGVITOFMORELPQ-UHFFFAOYSA-N 354.425 3.506 0 40 FHAB O=C([C@@H]1CCC(F)(F)C1)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 330138865 IMOUKRURCMKMKN-CABCVRRESA-N 360.408 3.613 0 40 FHAB O=C(NCCCCc1ccccc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408706968 GAHKILLXKAWTRI-KRWDZBQOSA-N 370.880 3.832 0 40 FHAB CC(C)(C)n1ncc2c(O)nc(N3CCC[C@H]3c3ccc(F)cc3)nc21 531148547 MNDSXRIAVWICOR-HNNXBMFYSA-N 355.417 3.768 0 40 FHAB O=C(c1ccccc1Br)N1CC[C@H](n2cnc3ccccc32)C1 575619000 YTHFUIKIKLZYEA-ZDUSSCGKSA-N 370.250 3.886 0 40 FHAB Fc1cc(Cl)ccc1-c1nnc(N2CCCC2)n1C[C@H]1CCCO1 582738437 DPGOOSMAANPPJP-CYBMUJFWSA-N 350.825 3.517 0 40 FHAB Cc1cc(CN(C)C[C@H](O)C(F)(F)F)cc(C)c1OCc1ccccn1 585084570 ALCPMZREJSFHHA-KRWDZBQOSA-N 368.399 3.632 0 40 FHAB CN1CCCCCCN[C@H](Cc2ccccc2)COc2ccccc2C1=O 618017536 MZDVAKXWXGNJPH-HXUWFJFHSA-N 366.505 3.912 0 40 FHAB COc1c(Cl)cccc1NC(=O)N[C@@H](C[C@H]1CCCO1)C(F)(F)F 653952684 OWNNTKQXRLWVBZ-SKDRFNHKSA-N 366.767 3.970 0 40 FHAB C=CC(=O)Nc1cccc(C(=O)N[C@H]2CCCOc3cc(F)ccc32)c1 1137898659 BXAJKLPYNPOIOK-KRWDZBQOSA-N 354.381 3.594 0 40 FHAB O=S(=O)(Nc1cccc(-c2ccccc2)c1)c1ccc2c(c1)OCCO2 1259344340 KEYBBAWNWHXISV-UHFFFAOYSA-N 367.426 3.926 0 40 FHAB Cc1cc(NCc2ccc(N3CCCC3=O)cc2)nc(-c2ccccc2O)n1 1704280053 MMZOCYLEWZCCSC-UHFFFAOYSA-N 374.444 3.897 0 40 FHAB CCN1C(=O)/C(=C\C=C/C=C2/N(C)c3ccccc3C2(C)C)OC1=S 1775984652 RHAVQRJOFRKNIT-URYAEUJWSA-N 354.475 3.902 0 40 FHAB C[C@@H](NC(=O)NCc1ccnc(N(C)C)c1)c1ccc2c(c1)CCCC2 47612165 HUVGWWPTVPAJMB-OAHLLOKOSA-N 352.482 3.587 0 40 FHAB O=C(COc1ccc(Cl)cc1)Nc1ccc(F)c(NC(=O)C2CC2)c1 24760297 QOJXDSSPVOPXOG-UHFFFAOYSA-N 362.788 3.845 0 40 FHAB COc1cc(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c(C(=O)N(C)C)cc1OC 25219573 YVARYJHNZDDSNE-KDOFPFPSSA-N 374.481 3.583 0 40 FHAB CC[C@H](C)c1ccc([C@H](O)CN2CCN(C(=O)c3cccs3)CC2)cc1 25571746 VCECKLPMFIIXSX-QFBILLFUSA-N 372.534 3.753 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)CSc1ccc(F)cc1)CC2 7006328 SZUYGCGLSZJRAS-UHFFFAOYSA-N 361.438 3.520 0 40 FHAB O=C(O)c1ccc(CNC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1 12507784 ZWUWQQOBGUBFRY-UHFFFAOYSA-N 371.396 3.654 0 40 FHAB CCCCCCn1c(S[C@H](C)C(=O)N2CCNC2=O)nc2ccccc21 7098545 DXLBOPCBTKQDMS-CQSZACIVSA-N 374.510 3.649 0 40 FHAB C[C@@H](CN1CCCC1=O)NC(=O)N1CCC[C@H]1c1cccc2ccccc12 56740926 BCGQNDWQGURKQO-JXFKEZNVSA-N 365.477 3.697 0 40 FHAB O=C(NCc1ccccc1CN1CCCCC1)c1c[nH]nc1-c1ccccc1 12535659 DGLAYGSCVLUDLI-UHFFFAOYSA-N 374.488 3.993 0 40 FHAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1Cc1cc(-c2ccccc2)on1 8265135 CFIWJSMHIQMJDU-QFIPXVFZSA-N 373.412 3.625 0 40 FHAB Cc1cccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)cc2)c1 8413060 SYRYIKHECRKGFD-UHFFFAOYSA-N 374.824 3.549 0 40 FHAB Clc1ccccc1N1CCN(Cc2nnc(-c3ccccc3)o2)CC1 54105850 PJCAHUYQSGZGPU-UHFFFAOYSA-N 354.841 3.712 0 40 FHAB Cc1ccc2c(C(=O)CN3CCN(c4ccccc4F)CC3)c(C)[nH]c2c1 35999897 NJCTWROSZGOHNE-UHFFFAOYSA-N 365.452 3.929 0 40 FHAB C[C@]1(c2ccsc2)NC(=O)N(Cc2coc(-c3ccc(F)cc3)n2)C1=O 58181410 WOCVJDJBFVBQAH-GOSISDBHSA-N 371.393 3.509 0 40 FHAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCc1ccc(C(F)(F)F)cc1 10274997 WXADYJOHRJZRTP-ZDUSSCGKSA-N 374.362 3.837 0 40 FHAB COc1ccc(OCCNC(=O)c2csc(-c3ccccc3)n2)cc1 10291963 ILBSKQXQUXHQIG-UHFFFAOYSA-N 354.431 3.628 0 40 FHAB O=C(NCCCNc1cc(=O)oc2ccccc12)c1ccc2ccccc2n1 10313704 UMNJRGSPFWBEGT-UHFFFAOYSA-N 373.412 3.573 0 40 FHAB CC1(C)C[C@H](C(=O)COc2ccc3c4c(c(=O)oc3c2)CCCC4)CCO1 2139405 RVOMUWCEKOTEHE-CQSZACIVSA-N 370.445 3.825 0 40 FHAB biogenic O=C(N[C@@H]1CCOc2ccccc21)c1cc(Cl)c2c(c1)OCCCO2 9337009 HMHGQMYKBVNZRU-OAHLLOKOSA-N 359.809 3.755 0 40 FHAB O=C(NC1C[C@H]2CCC[C@H](C1)N2C(=O)N1CCCCC1)C1CCCCC1 100426713 WKSPHKXNQUHVEX-RTBURBONSA-N 361.530 3.674 0 40 FHAB C[C@H]1C[C@@H](C)CN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)C1 36416364 QHIWXOMSBLSURV-UEXGIBASSA-N 364.489 3.532 0 40 FHAB CC(C)(C)c1ccc(O)c(NC(=O)CCCNC(=O)c2cccs2)c1 45574338 BSKUJJYTLNWRGE-UHFFFAOYSA-N 360.479 3.900 0 40 FHAB C[C@@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)NC1CCCC1 28869732 CPEDOXHHPCIVJF-SNVBAGLBSA-N 350.875 3.665 0 40 FHAB O=C(CCc1cccc(Cl)c1)Nc1cc2c(cc1Cl)NC(=O)CO2 46388874 ANDRHPVXTURMBJ-UHFFFAOYSA-N 365.216 3.896 0 40 FHAB Cc1ccc(N(C(=O)c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1 11990501 JYZYKLHCRHHYPA-UHFFFAOYSA-N 355.415 3.932 0 40 FHAB O=C(Cc1cccc2cccnc12)NC[C@H]1CCCCN1Cc1ccccc1 62228466 AHPIVTMQWASLSJ-JOCHJYFZSA-N 373.500 3.948 0 40 FHAB Cc1nc([C@H](Cc2ccsc2)NC(=O)[C@@H]2C[C@@H]3C=C[C@@H]2O3)sc1C 100199996 GBYWVDVCHUMISO-FZKCQIBNSA-N 360.504 3.565 0 40 FHAB Cc1[nH]c2ccc(C(=O)NCc3ccc(N4CCCC4=O)cc3)cc2c1C 10453972 GIOJHMGAAAQCBW-UHFFFAOYSA-N 361.445 3.842 0 40 FHAB CCOC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1 48356494 YGZKKSHFLRNBCA-UHFFFAOYSA-N 352.387 3.503 0 40 FHAB O=C(O)CCC(=O)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@H]1c1ccco1 38303388 JLULDRWPVOVHHE-NRGQTZKASA-N 368.389 3.860 0 40 FHAB CSc1ccc(/C=C/C(=O)Nc2ccccc2N2CCN(C)CC2)cc1 9322271 GSUWGGHRWXMCHS-FMIVXFBMSA-N 367.518 3.812 0 40 FHAB CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(F)c2)n2ncnc2N1 4148226 IEZWZDNTOVFZLD-KRWDZBQOSA-N 356.401 3.582 0 40 FHAB COc1ccc(NC(=O)COC(=O)c2nccc3ccccc23)cc1Cl 64875253 MYYGSLPFLKLACT-UHFFFAOYSA-N 370.792 3.692 0 40 FHAB CCCCn1nc(C(=O)Nc2cc(C)ccc2OC)c2ccccc2c1=O 6395492 QXVLQWVZKMSSEE-UHFFFAOYSA-N 365.433 3.766 0 40 FHAB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c(O)c1 14092727 BWZDYIWFPUFVCD-NSHDSACASA-N 367.323 3.903 0 40 FHAB C[C@H](Cc1cccs1)N(Cc1ccccc1)C(=O)Cn1ccccc1=O 14184305 OTSBRPOWSLLTHE-QGZVFWFLSA-N 366.486 3.570 0 40 FHAB COc1cc(C(C)=O)ccc1OCC(=O)N[C@H](c1ccccc1)C(C)C 14141366 SBTSBBRJFWHMJY-NRFANRHFSA-N 355.434 3.790 0 40 FHAB CCc1cc2c(=O)n(NC(=O)c3sc4ccccc4c3C)cnc2s1 14180612 RUDZTZPCTOOFQJ-UHFFFAOYSA-N 369.471 3.927 0 40 FHAB COC(=O)c1ccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1 6405196 PSTMODCKANNFHC-LLVKDONJSA-N 363.797 3.541 0 40 FHAB COc1ccc(C(=O)N[C@H](C(=O)Nc2cc(C)cc(C)c2)C(C)C)cc1 6610177 DAWKLDKDZUQJKX-IBGZPJMESA-N 354.450 3.705 0 40 FHAB CCOc1ccccc1C=C(C(=O)NCCC(C)C)C(=O)NCCC(C)C 5863631 TXLXNWXJDOCHLC-UHFFFAOYSA-N 374.525 3.793 0 40 FHAB C[C@@H](Sc1nnc(Nc2ccccc2Cl)s1)C(=O)NC1CC1 9690367 RXTPAFDDUNFDKX-MRVPVSSYSA-N 354.888 3.694 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc2c(c1)OCO2 15879698 LJPDOJYENMHPBU-MARXPDLDSA-N 366.417 3.596 0 40 FHAB CSc1ccc(NS(=O)(=O)c2ccccc2Br)cc1 7745884 LMPDFJHKYYFFOU-UHFFFAOYSA-N 358.282 3.972 0 40 FHAB CC[C@@H](C)[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1 7843194 GRMGTYBTOHQXON-DNVCBOLYSA-N 374.506 3.705 0 40 FHAB CN(Cc1ccc(Br)s1)C(=O)c1ccc2c(c1)OCO2 7980665 UEZROZMPWAYPQR-UHFFFAOYSA-N 354.225 3.512 0 40 FHAB Cc1nc(COc2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)no1 9884889 YZUGUCHQWSNIBC-IBGZPJMESA-N 363.417 3.764 0 40 FHAB O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)N1CCCCCC1 8261670 UXGXSAYODFRZLA-INIZCTEOSA-N 357.523 3.878 0 40 FHAB COc1ccccc1N1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 17332963 ZQJMUYVFJXEPKV-UHFFFAOYSA-N 370.880 3.729 0 40 FHAB Cc1noc2ncc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3)cc12 72230274 MEINPLNWVMEMLO-UHFFFAOYSA-N 353.769 3.623 0 40 FHAB Cn1cc([C@H]2C[C@@H]2C(=O)Nc2ccnn2Cc2cccc3ccccc23)cn1 72277080 KMWMKVIESPNODN-UXHICEINSA-N 371.444 3.560 0 40 FHAB Cn1ccnc1[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1cccc(F)c1 18236510 LSIPXSBMMYSELI-FQEVSTJZSA-N 363.436 3.957 0 40 FHAB Cc1ccc2c(C)nc(Nc3nc(C)c(CCC(C)C)c(=O)[nH]3)nc2c1 18266656 SMBBXTGZDPCYJD-UHFFFAOYSA-N 351.454 3.971 0 40 FHAB CCO[C@@H](C)c1nccn1Cc1ccc(I)cc1 95977994 LSIDKLFCFVQXOS-NSHDSACASA-N 356.207 3.634 0 40 FHAB O=C(Cc1cn2ccsc2n1)NCCSc1ccc(Cl)cc1 8746404 NBVKMRMWUOKSFH-UHFFFAOYSA-N 351.884 3.500 0 40 FHAB CN1CC2=C(N=C1NCCCCO)c1ccccc1CC21CCCCC1 9134917 UKWIAAUMAJCLPH-UHFFFAOYSA-N 353.510 3.568 0 40 FHAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(F)c(-c2cccs2)c1 84792431 SCKGNUHULLCHMW-INIZCTEOSA-N 360.410 3.745 0 40 FHAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)O)[C@H]1c1cccc(Cl)c1Cl 22057521 KCIBIAFYYVAYEO-CQSZACIVSA-N 370.232 3.876 0 40 FHAB in-vitro C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCN(c2ccccc2F)CC1 35848169 CRCDVIVLOUQHIJ-HNNXBMFYSA-N 351.425 3.700 0 40 FHAB C[C@@H]1CCCN(CCCCNC(=O)c2cc(F)ccc2Br)C1 46991741 LWBOFXLJYAOVBD-CYBMUJFWSA-N 371.294 3.830 0 40 FHAB C[C@H]1OCCN(Cc2c(C(=O)O)oc3ccc(Br)cc23)[C@@H]1C 570404000 ZEBJIGIUOQYKOP-NXEZZACHSA-N 368.227 3.503 0 40 FHAB COc1ccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1OC 223043198 UZNXOCVJPWPNBQ-AWEZNQCLSA-N 355.434 3.989 0 40 FHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1 224739858 HFSFCGCQFBMEAW-QGZVFWFLSA-N 370.468 3.620 0 40 FHAB O=C(NCC1=CCCCC1)c1cccc(NS(=O)(=O)c2ccccc2)c1 224074023 PXBFWFZQUMMERM-UHFFFAOYSA-N 370.474 3.718 0 40 FHAB Cc1c(C(=O)NC2(C(=O)O)Cc3ccccc3C2)sc2ccc(F)cc12 531742255 SQBQDOCFWPVBLC-UHFFFAOYSA-N 369.417 3.701 0 40 FHAB O=C(c1cccc(Cl)c1)c1ccccc1CN1CCC2(CC1)OCCO2 85651560 HQYWHEFKFSNROG-UHFFFAOYSA-N 371.864 3.910 0 40 FHAB Cc1ccc(O[C@H](C)C(=O)NCc2ccc(CN3CCCC3)cc2)c(C)c1 44873128 NBZUZZFCAXIGOT-LJQANCHMSA-N 366.505 3.983 0 40 FHAB CC[C@@H](NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1c(C)nn(C)c1C 81261937 PXIRMQBXCVXDTI-OAHLLOKOSA-N 357.502 3.747 0 40 FHAB CCOc1ccccc1NC(=S)NCc1ccc(-n2ccnc2)cc1 225452848 REYVZBLQMYKGBW-UHFFFAOYSA-N 352.463 3.758 0 40 FHAB C[C@H]1C[C@H](C)CN(C(=O)CCCN2C(=O)CC(C)(C)c3ccccc32)C1 96184040 JAPFTAWHPGSISP-IRXDYDNUSA-N 356.510 3.986 0 40 FHAB Cc1noc(C)c1CN1CCn2c(COCC3CCCC3)cnc2[C@H]1C 96109789 AWDQAXDCTCLFBN-OAHLLOKOSA-N 358.486 3.772 0 40 FHAB COc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)c1ccco1 26772131 LBJSBAVMHKMSEJ-OZOXKJRCSA-N 355.434 3.797 0 40 FHAB biogenic Cc1ccccc1C1(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CCCC1 585085247 SGRCVFZCBUDNBI-GOSISDBHSA-N 353.466 3.821 0 40 FHAB Cn1cncc1-c1cccc([C@H]2CCCN2Cc2ccc(C(=O)O)cc2)n1 257311085 UHWKZLNXWRRXGV-LJQANCHMSA-N 362.433 3.517 0 40 FHAB CCCn1nccc1-c1cncc(C2CCN(C(=O)C(C)(C)C)CC2)n1 257263039 LOCUBADPDCUSOP-UHFFFAOYSA-N 355.486 3.502 0 40 FHAB COc1ccc(/C(C)=C/C(=O)N2CCC(Cc3cccnc3)CC2)cc1 1295695812 JUROKJWGYDCFJY-SAPNQHFASA-N 350.462 3.975 0 40 FHAB Cc1cccc(O[C@@H]2CCC[C@H](NCCCOc3ccccc3)[C@H]2O)c1 585289524 QZLCFNHZKJGRSP-BHDDXSALSA-N 355.478 3.715 0 40 FHAB Oc1nc2cc(I)ccc2c(O)c1-c1ccccc1 685936989 GYOWUKMCXOLUEP-UHFFFAOYSA-N 363.154 3.918 0 40 FHAB COc1ccc(C[C@](C)(O)CNC(=O)C2(c3cccs3)CCCC2)cc1 75155567 YBUJAQGOSDPWHR-FQEVSTJZSA-N 373.518 3.678 0 40 FHAB Clc1cnc(N2CCN(CCOc3ccccc3)CC2)c(Cl)c1 78478018 YBTRSHKIUXPBQQ-UHFFFAOYSA-N 352.265 3.589 0 40 FHAB C[C@H](NC(=O)c1ncnc2ccsc12)c1nc(C(F)(F)F)cs1 1538451106 GRLLLRLYACQGPC-LURJTMIESA-N 358.370 3.658 0 40 FHAB O=C(CN1CCCc2occc2C1)Nc1ccc(OC(F)F)c(Cl)c1 585083957 YOPHWJLYBNWPQN-UHFFFAOYSA-N 370.783 3.921 0 40 FHAB COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1ccc(F)cc1Cl 5245300 UHOHKSPXVNVYGV-UHFFFAOYSA-N 372.179 3.937 0 40 FHAB CC[C@@H](NC(=O)c1cc(O)nc2c(C)cccc12)c1c(C)nn(CC)c1C 12195453 CSGPTVDFRAZEMN-QGZVFWFLSA-N 366.465 3.963 0 40 FHAB Cc1cc2occ(CC(=O)NCc3nc(-c4ccccc4)no3)c2cc1C 12202773 FMEFLCTZOXUKBO-UHFFFAOYSA-N 361.401 3.959 0 40 FHAB O=C1Nc2ccccc2/C1=C/c1nc2ccccc2c(=O)n1-c1ccccc1 12377096 UTDQAYCATZFYIS-JXAWBTAJSA-N 365.392 3.878 0 40 FHAB biogenic Cc1cc(C)cc(OCCSc2nc3ccccc3n2CC(=O)O)c1 12627863 ZLCZOVIJSQRIOM-UHFFFAOYSA-N 356.447 3.909 0 40 FHAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)on1 13225943 MCRSPSTVPKZECK-UONOGXRCSA-N 358.467 3.564 0 40 FHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1 14796200 BPWLORCWFZXEKY-ZDUSSCGKSA-N 360.841 3.886 0 40 FHAB CNC(=O)c1ccc(CN(C)c2ncc(C(F)(F)F)cc2Cl)cc1 15141226 KEAOVWXCQYFSBQ-UHFFFAOYSA-N 357.763 3.750 0 40 FHAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc(-c2nccs2)cc1 17590247 JBEABJFJUVUFHC-UHFFFAOYSA-N 352.341 3.664 0 40 FHAB Cc1noc2nc(C3CCN(C(=O)c4ccccn4)CC3)cc(C(F)F)c12 19564901 VNCUUVDBOBSDIA-UHFFFAOYSA-N 372.375 3.884 0 40 FHAB CC1(CNC(=O)CCn2c(C3CCCCC3)nc3ccccc32)COC1 19714856 GQYBOIXWJQMGMA-UHFFFAOYSA-N 355.482 3.627 0 40 FHAB COc1ccc(OCCOC(=O)/C=C/c2nc3ccccc3s2)cc1 7432580 CCCSGVCDHBIMOG-ZHACJKMWSA-N 355.415 3.940 0 40 FHAB COc1ccc(C(=O)Nc2ccc(Br)cc2N)cc1Cl 226349699 RGRMMKVOVOUYHE-UHFFFAOYSA-N 355.619 3.946 0 40 FHAB Cc1csc([C@H]2COCCN2C(=O)c2cccc(C(F)F)c2F)n1 529078257 FDIFTXTZZYSFEW-GFCCVEGCSA-N 356.369 3.742 0 40 FHAB O=C(c1coc(C2CCC2)n1)N1CCOc2c(Br)cccc21 669511594 JUMWSZNUFJPYMU-UHFFFAOYSA-N 363.211 3.744 0 40 FHAB C[C@H]([C@H](O)c1ccccc1)N(C)S(=O)(=O)c1ccc2ccccc2c1 4931823 UGDOTBUQVPPZOK-QRWLVFNGSA-N 355.459 3.582 0 40 FHAB O=C(CCCc1ccccc1)N[C@@H]1CCN(c2cc(-c3ccccc3)[nH]n2)C1 1889149229 VLCQXQMVBJEDOY-HXUWFJFHSA-N 374.488 3.795 0 40 FHAB Cc1nn(-c2ccccc2)c2c1C(=O)N(Cc1ccccc1)C(=O)C(C)(C)C2 2273638 AFNIQYALEQCRCL-UHFFFAOYSA-N 373.456 3.932 0 40 FHAB O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccc(Oc2ccccc2)cc1 4263863 JYWCKUMLSLDOKC-UHFFFAOYSA-N 358.353 3.615 0 40 FHAB Cc1cccc(NC(=O)CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1C 4315294 QONQCPZHWHFHMD-KRWDZBQOSA-N 362.477 3.998 0 40 FHAB O=c1nc(SCc2ccc(F)cc2)c2c(n1Cc1ccco1)CCC2 4940124 MNGUMSUBBVJOHN-UHFFFAOYSA-N 356.422 3.805 0 40 FHAB O[C@@H](COCC12CC3CC(CC(C3)C1)C2)CN1CCc2ccccc2C1 10383906 FYYQTGORKBBAOL-SCBMRQJBSA-N 355.522 3.639 0 40 FHAB COc1ccc(-c2cc(COC(=O)Cc3ccc(F)cc3)no2)cc1OC 12726825 VOYLNAKBLJIVOK-UHFFFAOYSA-N 371.364 3.784 0 40 FHAB Cc1csc(C(=O)N2CCC3(CC2)CO[C@H](COc2ccccn2)C3)c1 2055806576 MDFWESWBLFIELE-INIZCTEOSA-N 372.490 3.542 0 40 FHAB CSCCn1/c(=N/C(=O)c2ccccc2)sc2cc3c(cc21)OCO3 101119451 YVLOHVLNUPDPJW-HNENSFHCSA-N 372.471 3.536 0 40 FHAB O=C(NC[C@@H](O)c1csc2ccccc12)C1(c2ccc(F)cc2)CC1 225693988 WQGIMTBLGBOLML-QGZVFWFLSA-N 355.434 3.922 0 40 FHAB CN(C)Cc1cccc(CNC(=O)Cc2ccc(Cl)c(Cl)c2)c1 40081395 WIPPXYSLJYNDOO-UHFFFAOYSA-N 351.277 3.914 0 40 FHAB COc1cc(NC(=O)NCCCN2CCCC[C@@H]2C)c(OC)cc1Cl 40023971 MQCYSTIGVABESI-ZDUSSCGKSA-N 369.893 3.743 0 40 FHAB O=C(Nc1ccc(OC[C@@H](O)COc2ccccc2)cc1)c1ccccc1 30597118 RRXDTJNQMVFCKH-IBGZPJMESA-N 363.413 3.758 0 40 FHAB C[C@H]1CN(c2ccc(NC(=O)NCCC3=CCCCC3)cn2)C[C@@H](C)O1 40121081 ONAABSGUUNYGBX-IYBDPMFKSA-N 358.486 3.707 0 40 FHAB Cc1nn(C)c(C)c1CCC(=O)N(C)[C@@H](c1ccccc1)c1ccccn1 40134802 CBINUNKGKSQDHJ-QFIPXVFZSA-N 362.477 3.613 0 40 FHAB Cc1cccc(-n2c3c(c(=O)[nH]c2=S)CN(C2CCCCC2)CN3)c1 20567588 PXWKPEDZPWNFBT-UHFFFAOYSA-N 356.495 3.721 0 40 FHAB O=C(CC[C@@H]1NC(=O)c2ccccc2N=C1O)Nc1cccc2ccccc12 32100964 SOGGDXSMIHSBTK-IBGZPJMESA-N 373.412 3.959 0 40 FHAB COc1ccc(NC(=O)c2cnn(-c3ccccn3)c2C(C)C)cc1OC 32815138 DWOCPZICFXLDCC-UHFFFAOYSA-N 366.421 3.660 0 40 FHAB O=C(Nc1nc2c(s1)CCCCC2)[C@H]1CC(=O)N(c2ccccc2F)C1 21902173 BBFZYIKNGAPMPJ-LBPRGKRZSA-N 373.453 3.543 0 40 FHAB COc1ccc(NC(=O)c2c(C)nn(C)c2C)cc1NC(=O)OC(C)(C)C 41880581 PQGFUMDINPPHAN-UHFFFAOYSA-N 374.441 3.645 0 40 FHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1cccc(C[S@](C)=O)c1 53543085 IONLAOKYAOWOJS-SSOJOUAXSA-N 359.491 3.910 0 40 FHAB Cc1c(C(=O)OC[C@@H]2CCCO2)[nH]c2c1C(=O)C[C@H](c1ccc(F)cc1)C2 1080578 BVSOOESBDJERGK-ZBFHGGJFSA-N 371.408 3.711 0 40 FHAB CC(C)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 825719 SHZKKQCJIMGABE-HXUWFJFHSA-N 354.475 3.599 0 40 FHAB CC1CCN([C@H](c2ccccc2)c2nnnn2CCc2ccccc2)CC1 1330476 PJXWRIMXWLJDNS-OAQYLSRUSA-N 361.493 3.737 0 40 FHAB CC(=O)N1CCc2cc(NC3CCN(CCc4ccccc4)CC3)ccc21 1495012 JVFSVNCIJRXULX-UHFFFAOYSA-N 363.505 3.715 0 40 FHAB COc1ccc2cc(C(N)=O)/c(=N/c3ccc(C(F)(F)F)cc3)oc2c1 1656407 NRFHIQNWEZTXFW-QJOMJCCJSA-N 362.307 3.792 0 40 FHAB O=C(N[C@@H]1CC(c2ccccc2)(c2ccccc2)OC1=O)c1ccccc1 1868708 BXJJJXASSLWUSX-HXUWFJFHSA-N 357.409 3.676 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)cc1C 2184755 ABTQOTAAIJXOTE-UHFFFAOYSA-N 352.415 3.823 0 40 FHAB Clc1ccc(-c2nc3c4cnn(Cc5ccccc5)c4ncn3n2)cc1 2411838 QCVCVSDAORVTAQ-UHFFFAOYSA-N 360.808 3.843 0 40 FHAB C[C@H](Sc1nnc2ccccn12)C(=O)Nc1ncc(Cl)cc1Cl 2652192 AXTUALYULYOQEW-QMMMGPOBSA-N 368.249 3.550 0 40 FHAB O=C(NC(=S)Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccco1 4561111 AYMQYEWNEGMNCR-UHFFFAOYSA-N 364.386 3.610 0 40 FHAB CCOC(=O)c1cc(NCc2cccc(Cl)c2)ccc1N1CCOCC1 4705481 FLYUKRLQRUPMOM-UHFFFAOYSA-N 374.868 3.965 0 40 FHAB CC(C)(C)OC(=O)NCCc1nnc(SCc2ccc(F)cc2)o1 5072263 SPNLKVQVOMBJHN-UHFFFAOYSA-N 353.419 3.568 0 40 FHAB CCOC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(C)cc1 5375221 AWDKIOHRQFLSHI-UHFFFAOYSA-N 374.462 3.705 0 40 FHAB CCOC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C 5548139 PTLRRAPYVUOAQL-UHFFFAOYSA-N 366.413 3.943 0 40 FHAB CCN(CC)CCCNc1nc2sc3c(c2c2ncnn12)[C@@H](C)CCC3 5562813 RWGUXNFHIQWTQR-ZDUSSCGKSA-N 372.542 3.923 0 40 FHAB Cc1ccccc1-n1nc(C)c2cc(C(=O)NC[C@@H]3CCCO3)sc21 5576993 YHCOCIDTTDPZHX-AWEZNQCLSA-N 355.463 3.613 0 40 FHAB Cc1nnc(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)n1-c1ccccc1 6110457 MFYMSZVPBLGZLF-JKIFEVAISA-N 358.511 3.609 0 40 FHAB COc1ccc(OC)c(C(=O)CSc2nnc(Cc3ccccc3)o2)c1 6112154 QXOMWZDOBDDDOZ-UHFFFAOYSA-N 370.430 3.653 0 40 FHAB C[C@H](Sc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(C(N)=O)cc1 6404802 QATXYOFLNZVWGA-JTQLQIEISA-N 368.380 3.924 0 40 FHAB Cc1c(C(=O)NC[C@@H]2COc3ccccc3O2)oc2c(Cl)cccc12 6602522 YUBGDHLKVZKLBX-GFCCVEGCSA-N 357.793 3.964 0 40 FHAB COC(=O)[C@H]1CN(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2O1 6810814 KGRYOKKEZLDLQU-GOSISDBHSA-N 353.418 3.565 0 40 FHAB COc1ccc(-c2noc(-c3cc4cc(OC)ccc4oc3=O)n2)cc1 6868012 KOGAIVXBGWVDGW-UHFFFAOYSA-N 350.330 3.527 0 40 FHAB O=C(CSc1nc2cccnc2[nH]1)Nc1cccc(Cl)c1Cl 6953635 BAGCBFKSWFTWEI-UHFFFAOYSA-N 353.234 3.996 0 40 FHAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O 7070953 PLBUBCPOHFYALC-OXFWXOROSA-N 358.419 3.546 0 40 FHAB Cc1ccc(NC(=O)c2ccccc2)cc1S(=O)(=O)N1CCCCCC1 7140974 NDLDDXUIOOBAHI-UHFFFAOYSA-N 372.490 3.812 0 40 FHAB CC(=O)Nc1ccc(-c2nnc(SCC(=O)c3ccccc3)o2)cc1 7610227 CXBFUIIEHMWVJP-UHFFFAOYSA-N 353.403 3.670 0 40 FHAB CCOCc1c(C(=O)NCc2ccccc2CN(C)C)oc2ccccc12 7941580 UVQQTNQKWCLRJQ-UHFFFAOYSA-N 366.461 3.961 0 40 FHAB C[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccc(-n2ccnc2)cc1 8013606 PRFQNXOOBZDPJG-NSHDSACASA-N 367.883 3.627 0 40 FHAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc(F)c(F)c1F 8281733 LUWJAYPOFRTXEU-UHFFFAOYSA-N 365.336 3.885 0 40 FHAB O=C(Cn1c(=O)oc2cc(Cl)ccc21)N(Cc1ccccc1F)C1CC1 8316192 AAHFGJCDTGGEJR-UHFFFAOYSA-N 374.799 3.578 0 40 FHAB O=C(NC[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)Nc1ccccc1F 9040213 SDCIZFHNHIRSGS-LBPRGKRZSA-N 361.804 3.654 0 40 FHAB CCOc1ccc(S(=O)(=O)n2cc(C)nc2CC)cc1C(C)(C)C 9061994 ZXZDOIPAFDHEFK-UHFFFAOYSA-N 350.484 3.687 0 40 FHAB CCN1CCN(c2ccc(NC(=O)CSc3ccccc3)c(C)c2)CC1 9157756 WQYSOWLDJFRVJT-UHFFFAOYSA-N 369.534 3.868 0 40 FHAB COc1ccccc1C(=O)N(Cc1cc2ccccc2[nH]c1=O)C(C)(C)C 9158812 WUVKEIFAVSSHMV-UHFFFAOYSA-N 364.445 3.978 0 40 FHAB Cc1nc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)sc1C 9316486 LDHWOHSHIIFOIG-UHFFFAOYSA-N 358.467 3.643 0 40 FHAB O=C(CCn1ccc2ccccc21)N[C@H](Cc1ncc[nH]1)c1ccccc1 10644402 QXACVIRKMQIRJZ-LJQANCHMSA-N 358.445 3.855 0 40 FHAB O=C(C1CCCCC1)N1CCC[C@H]1Cn1nc(-c2cccs2)ccc1=O 12182839 RGYFHUUFUHADOH-INIZCTEOSA-N 371.506 3.543 0 40 FHAB CC(=O)N1CCCc2cc([C@H](O)CN3CCC(C(C)(C)C)CC3)ccc21 12291258 XJZKVLDHCCDACP-OAQYLSRUSA-N 358.526 3.777 0 40 FHAB COc1ccc(-n2nnc(C(=O)OCc3ccccc3Cl)c2C)cc1 12415559 BXMUCHQHRMTAEA-UHFFFAOYSA-N 357.797 3.595 0 40 FHAB COc1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)ccc1OCc1ccccc1 12600209 DDHNYUKEVRNSML-IYBDPMFKSA-N 355.434 3.524 0 40 FHAB CCc1ccc2nc(NC(=O)c3cn(Cc4ccccc4)nn3)sc2c1 12736030 AGDVWGBLDNLHSX-UHFFFAOYSA-N 363.446 3.751 0 40 FHAB CCC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1cc(OC)ccc1OC 12779290 YVJQYXBABAFOGO-LJQANCHMSA-N 368.433 3.800 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1cnn(-c2ccccc2)c1 12806375 WPVWVCGNWJLONX-CQSZACIVSA-N 355.825 3.609 0 40 FHAB COc1cc2c(cc1OC)CN(C(=O)CCCOc1ccccc1C)CC2 12896367 GJUVHVOILXLGFF-UHFFFAOYSA-N 369.461 3.756 0 40 FHAB O=c1/c(=C\c2ccc(Cl)cc2)sc2nnc(-c3ccccc3Cl)n12 13551845 KWEGLNWDWMPJJU-NTEUORMPSA-N 374.252 3.673 0 40 FHAB CCC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 14093625 AGIPRXVSPJCMIH-GHXNOFRVSA-N 373.261 3.556 0 40 FHAB Cc1ccc(-c2noc(CN(C)[C@H](C)c3ccc(-n4cncn4)cc3)n2)cc1 14138529 NFTJPBLUKGSTSP-MRXNPFEDSA-N 374.448 3.819 0 40 FHAB C[C@@H](NC(=O)CSc1nnc(NC2CCCCC2)s1)c1ccco1 14169450 DRGUOCJLPXWWNO-LLVKDONJSA-N 366.512 3.845 0 40 FHAB Cc1ccc(CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 14328377 VGXWZLUZBOFEFB-UHFFFAOYSA-N 351.446 3.861 0 40 FHAB COc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 15589815 CJXBDFFFIGDZBE-GOSISDBHSA-N 353.418 3.834 0 40 FHAB O=C(OCc1ccc(Br)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 16488972 CTMXHMAKEKHKEN-AWEZNQCLSA-N 374.234 3.545 0 40 FHAB CC1(C)Cc2c(sc3nc4n(c(=O)c23)CCCN4c2ccccc2)CO1 16605265 SIGGSWYZNUCTGK-UHFFFAOYSA-N 367.474 3.851 0 40 FHAB CC(=O)c1cccc(NC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)c1 17193647 MIDPQRRXXHWAAX-UHFFFAOYSA-N 354.797 3.684 0 40 FHAB Cc1noc2nc([C@@H]3CCCN(C(=O)c4cccnc4)C3)cc(C(F)F)c12 19564168 RBTHNARLIDFOJY-CYBMUJFWSA-N 372.375 3.884 0 40 FHAB CN1CCc2nc([C@H]3CCCCN3Cc3ccc(Cl)c(F)c3)ncc2C1 19590327 BOMQWZNWDMCQGK-LJQANCHMSA-N 374.891 3.984 0 40 FHAB Cc1ccc(Cc2ccc([C@@H]3CCCN3C(=O)c3ccc(N)nc3)nc2)cc1 19688515 SJOAQUNYRASYSO-NRFANRHFSA-N 372.472 3.935 0 40 FHAB Cc1cc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c2c(C)noc2n1 19715845 LNGHXLGIHABODF-HNNXBMFYSA-N 351.406 3.872 0 40 FHAB Cc1ccc(NC(=O)c2nnc3c(-c4ccc(F)cc4)cnn3c2C)cc1 19817128 QALWBZPOGSFQPP-UHFFFAOYSA-N 361.380 3.800 0 40 FHAB COc1ccccc1CNC[C@](O)(c1ccccc1)c1ccc(F)cc1 20365977 WDJMILOFAGODTB-QFIPXVFZSA-N 351.421 3.860 0 40 FHAB Cc1csc(CN2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)n1 21687202 NUBDUONJBMBCLG-UHFFFAOYSA-N 370.305 3.716 0 40 FHAB CN1CCN(Cc2ccc(C(=O)c3ccc(Cl)cc3Cl)cc2)CC1 22027948 ZOTHBWCNULBBAN-UHFFFAOYSA-N 363.288 3.972 0 40 FHAB CCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(C(F)(F)F)ccc21 22236668 ZYMUJYPMULTQRY-UHFFFAOYSA-N 374.362 3.970 0 40 FHAB COc1ccc2c(c1)CCc1cc(C(=O)Nc3ncccc3O)sc1-2 22262626 KCJYKKZPSBCTEU-UHFFFAOYSA-N 352.415 3.875 0 40 FHAB CN(C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1 24043683 NOGIKHKYGGSGLN-UHFFFAOYSA-N 372.490 3.528 0 40 FHAB O=c1[nH]c(CN2CCC[C@H]2c2nc3ccccc3s2)nc2ccccc12 25606758 RQSCCALMDSILTG-INIZCTEOSA-N 362.458 3.870 0 40 FHAB CCOCc1ccccc1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1 30519134 MAFVXMPEJFPASF-UHFFFAOYSA-N 373.396 3.720 0 40 FHAB CC(=O)Nc1cc(C(=O)CSc2ccc(C(F)(F)F)cn2)ccc1O 31743367 NTQPGJGTLPJTOW-UHFFFAOYSA-N 370.352 3.739 0 40 FHAB O=C(Nc1cccnc1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 32816503 IIJOKQVUWNZFAC-OAHLLOKOSA-N 364.232 3.632 0 40 FHAB COc1ccc(CC(=O)NCc2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 32930076 IARBDSKGEMIIJR-GOSISDBHSA-N 366.505 3.786 0 40 FHAB Cc1cc(NC(=O)CSc2nnc(C(C)C)o2)ccc1Br 33645283 UHKQDXAOKQXCSO-UHFFFAOYSA-N 370.272 3.995 0 40 FHAB O=C(Nc1cccc(NC(=O)c2ccccn2)c1)c1ccc2nccnc2c1 35313674 KZLVYJXAYVHFIZ-UHFFFAOYSA-N 369.384 3.529 0 40 FHAB Cc1ccc(N(Cc2ccco2)C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1 39975937 YIYWQNBBRALLJN-PXNSSMCTSA-N 370.474 3.575 0 40 FHAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1csc(-c2ccsc2)n1 39995441 GZFQRUMNFXTUCC-ZDUSSCGKSA-N 372.471 3.784 0 40 FHAB CC(C)[C@@H](NC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1cccs1 40024004 LEEUYKMAUDKOGP-BDJLRTHQSA-N 359.451 3.986 0 40 FHAB O=C(NCCSC1CCCC1)c1nc(N2CCCCC2)ncc1Cl 40142018 KXAAKAOLSCKTKK-UHFFFAOYSA-N 368.934 3.526 0 40 FHAB O=C(Nc1nc2ccccc2[nH]1)c1cnn2c(-c3ccccc3)ccnc12 40143008 LKIDELCJGSWWHR-UHFFFAOYSA-N 354.373 3.525 0 40 FHAB Cn1c(SCC(=O)NCCc2cccs2)nc2cc(Cl)ccc21 44050193 GNFMGYRCULQWNI-UHFFFAOYSA-N 365.911 3.739 0 40 FHAB Cc1cc(C)cc(NC(=O)COc2cc(C)nc(N3CCC[C@@H](C)C3)n2)c1 44168737 PIRAJUCZOJNDQH-CQSZACIVSA-N 368.481 3.656 0 40 FHAB Cc1cc(=O)oc2cc(NC(=O)COCc3ccccc3Cl)ccc12 49833612 MGWCJPBHVQNMTL-UHFFFAOYSA-N 357.793 3.910 0 40 FHAB COc1ccc(CN2Cc3c(sc4c3CCCC4)N(C(C)=O)C2)cc1 54596806 NRINQLXUQWQNLE-UHFFFAOYSA-N 356.491 3.962 0 40 FHAB O=C(/C=C/c1cn(Cc2ccccc2)nn1)N1CCC[C@H]1C1CCCC1 56034325 WPZGJNZKMHLQNO-SJFMBGHLSA-N 350.466 3.521 0 40 FHAB COc1ccc(OC)c(S(=O)(=O)N(C)Cc2cccc3ccccc23)c1 56100758 WZNNJONOWHCHMW-UHFFFAOYSA-N 371.458 3.678 0 40 FHAB CCc1cc(=O)n(CC(=O)N(CC)c2ccccc2)c(-c2ccccc2)n1 57527108 VVVZDGVFMRMCCN-UHFFFAOYSA-N 361.445 3.526 0 40 FHAB CCCCc1noc(CNc2cc(C(=O)NCC(F)(F)F)ccc2C)n1 58163378 WKCLWKUDSIRYHH-UHFFFAOYSA-N 370.375 3.625 0 40 FHAB CC(C)C(=O)Nc1ccc(NC(=O)NC[C@@]2(N(C)C)CCC[C@@H](C)C2)cc1 65513917 ZBUGEDCIGQBLSB-IIBYNOLFSA-N 374.529 3.913 0 40 FHAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCCN1C(=O)c1cc[nH]c1 68392577 GUUROEVXWXANGZ-HNNXBMFYSA-N 366.248 3.955 0 40 FHAB O=C(O)[C@@H]1CC(=O)N(c2ccc3nc(-c4cccc(Cl)c4)oc3c2)C1 70461339 ZVJIUARSANKNLT-LLVKDONJSA-N 356.765 3.586 0 40 FHAB CS(=O)(=O)c1ccc(NC(=S)Nc2cccc(Cl)c2F)cc1 71760647 GAEAKMSUNBSOIP-UHFFFAOYSA-N 358.847 3.692 0 40 FHAB COc1cc(NC(=S)Nc2cc(F)cc(F)c2)cc(OC)c1OC 71760966 KBXNDSXXZZOZFQ-UHFFFAOYSA-N 354.378 3.800 0 40 FHAB CCc1ccc(O)c(NC(=O)c2nnn(-c3ccccc3Cl)c2C)c1 72307576 FVOWHINDBGRYTH-UHFFFAOYSA-N 356.813 3.749 0 40 FHAB O=C(c1cc[nH]n1)N1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 72359020 LNIDYUSJMSLZCD-AWEZNQCLSA-N 367.840 3.540 0 40 FHAB CSC1=N/C(=C/c2ccc3c(c2)OCO3)C(=O)N1c1ccc(C)cc1 78224776 JHYFGWNAIIIGFR-OQLLNIDSSA-N 352.415 3.830 0 40 FHAB CC(C)Oc1ccccc1C(=O)N(C)Cc1nc(-c2ccccc2)no1 78579843 ZMNBDQJNWDFQNM-UHFFFAOYSA-N 351.406 3.796 0 40 FHAB Cn1nc(-c2ccccc2)cc1C(=O)Nc1nc(-c2cccnc2)cs1 79482642 WYOHMUITKYNYBX-UHFFFAOYSA-N 361.430 3.858 0 40 FHAB Cc1cc(NC(=O)[C@@H](OC(=O)C2C3CC4CC(C3)CC2C4)C(C)C)no1 84117216 CLJOZZLGRKKUSD-OLKDXYPGSA-N 360.454 3.562 0 40 FHAB COc1ccc(C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)cc1OC 88218492 HGHXEBSJPMVFJE-OAHLLOKOSA-N 354.450 3.795 0 40 FHAB O=Cc1cccc(OCc2nc(-c3ccccc3Br)no2)c1 89262906 CCZZKOXFEYOAKL-UHFFFAOYSA-N 359.179 3.891 0 40 FHAB Cc1nc2c(s1)[C@@H](N(C)C(=O)c1scnc1Br)CCC2 95465624 YOQJKXMVXHWSEY-VIFPVBQESA-N 372.313 3.820 0 40 FHAB CC(=O)Nc1ccncc1NC(=O)c1cc2cc(Br)ccc2o1 96011808 MXFBKYZQOIKBSV-UHFFFAOYSA-N 374.194 3.801 0 40 FHAB O=C1CC[C@]2(CCCN(Cc3cccnc3)CC2)N1Cc1cccc(F)c1 96047559 LTSNXKOTWVRVBM-QFIPXVFZSA-N 367.468 3.768 0 40 FHAB CCN1C(=O)CCC[C@]12CCCN(C(=O)c1ccc(C(F)(F)F)cc1)C2 96077050 OKOYSNCEMIXTOZ-GOSISDBHSA-N 368.399 3.713 0 40 FHAB CCOc1ccc([C@H]2CC(c3ccc4c(c3)OCO4)=NN2C(C)=O)cc1 96137002 RTNHOAWDPIWJJX-GOSISDBHSA-N 352.390 3.512 0 40 FHAB O=C(NCc1ccncc1)c1nc2c(s1)CCCN2c1ccccc1 96146849 DXBIMBWSRLFACZ-UHFFFAOYSA-N 350.447 3.552 0 40 FHAB Cc1cccc(NC(=O)c2nc3c(s2)CCCN3c2ncccn2)c1 96146865 ACDQFGTXPNWIBC-UHFFFAOYSA-N 351.435 3.578 0 40 FHAB COc1ccc(-c2cn3c(n2)CO[C@@H](CNCC2CCCCC2)C3)cc1 96296287 GLJGCKVTEFLISW-IBGZPJMESA-N 355.482 3.627 0 40 FHAB biogenic,in-vitro C[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[C@H](c2ncncc2-c2ccccn2)CC1 100152666 XRILZVPAHAXQEN-WCXIOVBPSA-N 350.466 3.585 0 40 FHAB O=C(C[C@H]1C(=O)Nc2ccccc21)Nc1ccc(OC(F)(F)F)cc1 101371562 MHWUULBENZLZGA-CYBMUJFWSA-N 350.296 3.650 0 40 FHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1ccccc1C(F)(F)F 107551163 OGPVIWQXMCNQCZ-TYNCELHUSA-N 357.372 3.803 0 40 FHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 223109544 VHDRLYANDBXMPL-IBGZPJMESA-N 372.896 3.826 0 40 FHAB Cc1c(Cl)cnc(NC(=S)NCc2cccnc2)c1Br 223938073 XRPDJYWJLOFZGS-UHFFFAOYSA-N 371.691 3.688 0 40 FHAB COc1cccc(OCCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 224129210 ZIPYFQXMGCRLEY-MRXNPFEDSA-N 371.477 3.955 0 40 FHAB Cc1cccc(NC(=O)c2ccc(Cl)c(N(C)S(C)(=O)=O)c2)c1C 225973016 NWLUEFDJZCKICT-UHFFFAOYSA-N 366.870 3.605 0 40 FHAB CC(C)N(Cc1ccc(C(=O)O)o1)C(=O)c1ccc2[nH]c(Cl)nc2c1 225980427 OUAONMICTXTISY-UHFFFAOYSA-N 361.785 3.558 0 40 FHAB CCCn1nccc1-c1cccc(C[C@@H]2CCN(C(=O)C(C)(C)C)C2)n1 257238618 HLVAZBTUJMOREX-INIZCTEOSA-N 354.498 3.792 0 40 FHAB Cc1cnccc1CN1CCO[C@H](c2cccc(-c3c(C)noc3C)n2)C1 257271144 MXARIFKTAXVVQM-FQEVSTJZSA-N 364.449 3.630 0 40 FHAB CC(C)n1nccc1-c1cc(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)ncn1 257325138 WRQSBZRULVIPIQ-MRXNPFEDSA-N 369.513 3.748 0 40 FHAB Cc1ccc2nsnc2c1NC(=S)NC(=O)c1cccc(Cl)c1 408574570 SAUFVDXQEFOMEV-UHFFFAOYSA-N 362.867 3.780 0 40 FHAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)cc1C 408583634 IWXUSNQBEIJUSQ-UHFFFAOYSA-N 374.506 3.798 0 40 FHAB CC(C)COc1ccc(NC(=O)C(=O)NC[C@H](C)c2ccccc2)cc1 408709229 QGEVXNQXRNRQJD-INIZCTEOSA-N 354.450 3.580 0 40 FHAB COc1ccc(CCCC(=O)N[C@H]2NC(c3ccccc3)=CS2)cc1 408910496 INOWIGZFBADTLJ-HXUWFJFHSA-N 354.475 3.753 0 40 FHAB Cc1cccc(NC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)c1C 559431521 LMOQGTIPLJIEIX-GOSISDBHSA-N 351.406 3.602 0 40 FHAB O=C(O)c1ccc(-c2nc(CN3CCOC[C@@H](C4CCC4)C3)cs2)cc1 565600548 OVUGGERPZSICQB-KRWDZBQOSA-N 372.490 3.757 0 40 FHAB Cc1nc(NC(=O)c2c(C3CCC3)cnn2C)cc(-c2ccc(F)cc2)n1 585114334 XRSRFJLHTROOQS-UHFFFAOYSA-N 365.412 3.844 0 40 FHAB COc1cc(C(F)(F)F)ncc1NC(=O)c1ncccc1CSC 589793863 MZVKIUZNXAOLDE-UHFFFAOYSA-N 357.357 3.619 0 40 FHAB Cc1ncccc1C(=O)N1CCCc2cc(C(=O)OC(C)(C)C)ccc21 598851309 PZQLFKAPEDMCIN-UHFFFAOYSA-N 352.434 3.938 0 40 FHAB O=C(O)C[C@H](NC(=O)[C@@H]1C[C@H]1C1CCOCC1)c1ccc2ccccc2c1 630188693 HVQWWYIBUFAYSB-ZCNNSNEGSA-N 367.445 3.535 0 40 FHAB COc1cccc(N2C(=O)c3ccccc3N[C@H]2c2cnc3n2CCC3)c1 639401241 BEFBTKYLZMKJLN-HXUWFJFHSA-N 360.417 3.609 0 40 FHAB CO[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(Br)cnc2C)C12CCC2 653582824 KNZYGHVYOGLNHU-ZIAGYGMSSA-N 368.275 3.574 0 40 FHAB COC(=O)c1cc(CN[C](C)c2nc(-c3ccccc3)c[nH]2)ccc1OC 1560406168 FPIRLZYFVQKXEJ-UHFFFAOYSA-N 364.425 3.562 0 40 FHAB COc1ccc(CNc2c(C(=O)O)ccc(Br)c2F)cc1 1776011307 BWCLAPAIVVUHGV-UHFFFAOYSA-N 354.175 3.907 0 40 FHAB FC(F)(F)c1cccnc1N1C[C@@H]2CN(c3nc4ccccc4o3)C[C@H]2C1 1888914070 VGKPFQLIXHRBMI-CHWSQXEVSA-N 374.366 3.814 0 40 FHAB COc1ccc(-c2c(C)s/c(=N\C(=O)c3cccc(OC)c3)n2C)cc1 687681 KEFWTGFTTXPDBN-MRCUWXFGSA-N 368.458 3.820 0 40 FHAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccccc2)cc1 824283 MSSOWCUZLIXQAL-OAHLLOKOSA-N 358.463 3.502 0 40 FHAB CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(C)cc2)n2ncnc2N1 938905 WUVITDXLFMWNKW-HXUWFJFHSA-N 374.444 3.661 0 40 FHAB CCCC(=O)Oc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1OC 995935 OPOOCBGJRJUSTQ-FOWTUZBSSA-N 365.385 3.745 0 40 FHAB COc1ccccc1N[C@H](NC(=O)c1cccs1)C(=O)c1ccccc1 1452556 VGBWQJLQVBTLMO-LJQANCHMSA-N 366.442 3.808 0 40 FHAB Cc1cc(Cl)cc2c1NC(=O)[C@]2(O)[C@H](C)C(=O)c1ccc(Cl)cc1 1624384 PQRBZIDVWQNJIV-MGNBDDOMSA-N 364.228 3.961 0 40 FHAB CC(C)=CCc1c(O)cc2oc(-c3ccc(O)cc3O)cc(=O)c2c1O 1658458 YWUVFGZTDLJVCR-UHFFFAOYSA-N 354.358 3.791 0 40 FHAB endogenous,in-man CC(=O)N(C)c1ccc(NC(=O)COc2ccc(Cl)c(C)c2C)cc1 1926734 FNDNMDGCGZJMKL-UHFFFAOYSA-N 360.841 3.957 0 40 FHAB COc1ccc([C@@H]2C[C@H](c3ccccc3Cl)Nc3nc(N)nn32)cc1 2381587 IPTGSUCCXCGJAI-CVEARBPZSA-N 355.829 3.669 0 40 FHAB CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1cccc(Cl)c1 2487080 XFBVGERHUQPXHL-IINYFYTJSA-N 364.854 3.552 0 40 FHAB c1ccc2c(NC[C@H]3CCCO3)nc(SCc3ccncc3)nc2c1 2948673 VFOQREXAYBPYOX-OAHLLOKOSA-N 352.463 3.908 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 3282249 SNHBPCANPSYFND-HZPDHXFCSA-N 369.417 3.535 0 40 FHAB Cc1cccc(NC(=O)CNC(=O)c2ccccc2C(F)(F)F)c1C 3339684 VXVMGQJKAOPZRC-UHFFFAOYSA-N 350.340 3.691 0 40 FHAB O=C(O)Cc1sc(NC[C@@H]2CCCO2)nc1-c1ccc(Cl)cc1 3357905 NAOOLFGNCFJGSB-LBPRGKRZSA-N 352.843 3.682 0 40 FHAB Cc1ccc(S(=O)(=O)[C@H](C)N2C(=O)N(C)[C@@H](C)[C@H]2c2ccccc2)cc1 4085586 LCWJHQHSRNGRNU-FCEWJHQRSA-N 372.490 3.612 0 40 FHAB O=C(Nc1ccc2c(c1)OCO2)N1CCn2cccc2[C@@H]1c1ccccc1 4854207 SDOOSHNYBVBFCV-FQEVSTJZSA-N 361.401 3.854 0 40 FHAB Cc1ccc(Nc2nc(N)nc(COC(=O)c3ccccc3Cl)n2)cc1 5298405 HPWXAEWCIKUMSB-UHFFFAOYSA-N 369.812 3.516 0 40 FHAB COc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(C)c2)cc1 5571182 QFUPTRFVSIQEKF-UHFFFAOYSA-N 368.462 3.624 0 40 FHAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)COc1ccccc1F 5859989 UEXAYGPDMHJKTN-UHFFFAOYSA-N 373.424 3.575 0 40 FHAB COc1cc(CN(C)[C@H](C)C(=O)NC2CCCCC2)ccc1OC(F)F 6583022 PVHVVNHGNKXNQP-CYBMUJFWSA-N 370.440 3.566 0 40 FHAB COc1ccc(C2=Nn3cc(-c4ccccc4)nc3SC2)cc1OC 6651144 XZXXTAZWRWIRSJ-UHFFFAOYSA-N 351.431 3.925 0 40 FHAB CCc1nnc2sc(-c3ccc(NC(=O)c4ccccc4F)cc3)nn12 6710868 VEUXDHOOVOOPMN-UHFFFAOYSA-N 367.409 3.807 0 40 FHAB NC(=O)c1cc(Cl)ccc1OCc1cc(Cl)cc2c1OCOC2 7022678 BNUPXQUFJTXTIG-UHFFFAOYSA-N 354.189 3.538 0 40 FHAB CC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1nc2ccccc2n1C 7093827 DGNQDAQLWYOCOI-CYBMUJFWSA-N 353.447 3.895 0 40 FHAB O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(C(F)(F)F)cc1 7306006 IOVNGYWOMXUDAU-UHFFFAOYSA-N 359.413 3.953 0 40 FHAB CCc1nnc(S/C(=C\c2ccc(C)c(Br)c2)C(=O)O)[nH]1 7342447 WOPIHTUYHXAFSV-XFFZJAGNSA-N 368.256 3.656 0 40 FHAB COCCn1c(C)cc(C(=O)COC(=O)c2cc(C)n(C3CC3)c2C)c1C 7575466 JBHFRGKTHBVGPL-UHFFFAOYSA-N 372.465 3.544 0 40 FHAB CC(=O)c1ccc(NC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)cc1 7608404 OJAFOAXFBJEIIJ-UHFFFAOYSA-N 363.417 3.628 0 40 FHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)Cc1cccc(C(F)(F)F)c1 7645133 PWRIFSOHDWIVSZ-UHFFFAOYSA-N 365.351 3.678 0 40 FHAB COc1ccc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cn1 8281484 PPQJSKCPPVRDOD-UHFFFAOYSA-N 358.401 3.990 0 40 FHAB O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc2ccccc2n1 9906253 WHPAITOJBGZGDL-UHFFFAOYSA-N 367.836 3.977 0 40 FHAB NC(=O)[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)c1ccccc1 10498045 ZNQFBAWUMIUYJD-CYBMUJFWSA-N 363.364 3.967 0 40 FHAB COCCn1cc(CN(C)Cc2n[nH]c3c2CCCC3)c2ccccc21 12147136 ZYBGWSBOLQFCEZ-UHFFFAOYSA-N 352.482 3.522 0 40 FHAB O=C(N[C@@H](c1ccccc1)c1cccnc1)c1cc2c([nH]c1=O)CCCCC2 12148271 UEXQVSNVHWTJDE-NRFANRHFSA-N 373.456 3.558 0 40 FHAB O=C(c1cccnc1)C1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 12157069 PZTLOVIKQYSLHO-UHFFFAOYSA-N 368.864 3.888 0 40 FHAB Cc1nc2cc([C@H]3CCCCN3Cc3ccccc3F)nn2c(O)c1C 12337774 JBXXSTXBQSZVIA-GOSISDBHSA-N 354.429 3.918 0 40 FHAB CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(N)c1 12569011 UJVCQEOPPBHXDF-SNVBAGLBSA-N 364.854 3.828 0 40 FHAB Cc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1C 12606490 CFXZCQPSRLVTBA-UHFFFAOYSA-N 365.477 3.662 0 40 FHAB Cc1cc(C)c2c([C@@H]3CCCN3C(=O)c3ccc(F)cc3)nn(C)c2n1 12671142 JAHWLKGFNSBKBQ-INIZCTEOSA-N 352.413 3.702 0 40 FHAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccc(C(F)(F)F)cc1 12732098 RHQCCZVRTOIUMR-UHFFFAOYSA-N 350.218 3.665 0 40 FHAB NC(=O)CN(C(=O)CSc1cc(Cl)ccc1Cl)c1ccccc1 12865878 CNAMPYHWINJUIT-UHFFFAOYSA-N 369.273 3.604 0 40 FHAB O=C(CCn1cnc2sccc2c1=O)Nc1c(Cl)cccc1Cl 12920210 QLOQINDXGGNPPA-UHFFFAOYSA-N 368.245 3.794 0 40 FHAB CC(C)c1cccc(N2C[C@H](C(=O)Nc3nnc(C4CC4)s3)CC2=O)c1 12923619 SUXPXDUEQKWLQC-CQSZACIVSA-N 370.478 3.531 0 40 FHAB COc1ccccc1[C@H](CNC(=O)Nc1ccc(F)cc1)N1CCCC1 12977083 PGTZILPOJXBYFY-SFHVURJKSA-N 357.429 3.793 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccco2)cc1C(F)(F)F 13006789 GBBVGUROTJLJDN-AWEZNQCLSA-N 366.339 3.850 0 40 FHAB O=C(Cc1ccc(F)cc1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 13267168 BRASNGWPDPGMKD-HXUWFJFHSA-N 363.436 3.807 0 40 FHAB CSc1ccc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 13670487 XROIGXDIQXAJKA-MRXNPFEDSA-N 363.504 3.989 0 40 FHAB COC[C@@H](C)NC(=O)CSc1nc2ccccc2n1-c1cccc(C)c1 14095914 VGYIQXPBOWCPPA-OAHLLOKOSA-N 369.490 3.577 0 40 FHAB COC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 14209524 ROWGJHAOPCTFDU-UHFFFAOYSA-N 355.781 3.769 0 40 FHAB CC[C@@H](C)[C@@H](C(=O)N(C)Cc1ccc(C(=O)NC)cc1)c1ccccc1 14226257 OQRQBQAVZYDPPO-OXQOHEQNSA-N 352.478 3.835 0 40 FHAB Cc1ccccc1-c1cc(=O)c2c(=O)n(-c3nc4ccccc4s3)[nH]c2[nH]1 14607073 SJWMOUFVTVNFCE-UHFFFAOYSA-N 374.425 3.592 0 40 FHAB CCOc1cc(/C=C/C(=O)Nc2cccc(C(=O)OC)c2)ccc1OC 14788145 VOMUGAKNPOPEFJ-PKNBQFBNSA-N 355.390 3.532 0 40 FHAB O=C1/C(=C/c2ccccc2OC(F)F)NC(=S)N1C1CCCCC1 15260075 IVUGAVKBPGFZCQ-RAXLEYEMSA-N 352.406 3.678 0 40 FHAB CCCCOc1ccc(C(=O)O[C@H](CC)C(=O)Nc2cc(C)on2)cc1 16756816 SZCKLWWNGBXFBA-MRXNPFEDSA-N 360.410 3.736 0 40 FHAB CC(C)(C)C(=O)N1CCC(C(=O)NCC23CC4CC(CC(C4)C2)C3)CC1 17062810 HIWNUNVFIQYTMM-UHFFFAOYSA-N 360.542 3.604 0 40 FHAB Cc1cc(=O)c(C(=O)N[C@H](C)c2ccccc2)nn1-c1ccccc1Cl 17323425 NAIRUDYBTOYDCI-CQSZACIVSA-N 367.836 3.685 0 40 FHAB COc1ccc(OCCCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 18891714 AUGOFHXAPJFYGT-OAHLLOKOSA-N 371.433 3.503 0 40 FHAB COc1ccccc1CNc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 18941203 ADESTVQHTDMKQG-UHFFFAOYSA-N 374.487 3.834 0 40 FHAB O=C(Cc1ccccc1)N[C@H](N1CCCCCC1)C(Cl)(Cl)Cl 19315474 SSJBKDRIBNYQGV-OAHLLOKOSA-N 363.716 3.918 0 40 FHAB C[C@H]1Oc2ccc(-c3csc(NC(=O)c4cccs4)n3)cc2NC1=O 19796564 FEIGGAQYTQAUSV-SECBINFHSA-N 371.443 3.843 0 40 FHAB CC[C@H](C)[C@H](N)C(=O)Oc1ccc2c(=O)c(-c3csc(C)n3)coc2c1 20111170 SQZMXPOAPPQOMP-BTDLBPIBSA-N 372.446 3.504 0 40 FHAB biogenic CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)Cc1ccco1 21902940 HATSEMWNCVYBIR-PQGQHUGISA-N 372.509 3.595 0 40 FHAB O=C(CSc1ncn(-c2ccccc2)n1)N(C1=CCCCC1)C1CC1 22286612 XSKPSLBKLCOJIC-UHFFFAOYSA-N 354.479 3.808 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)c(Cl)c1 22514172 CREYMTYHVHHEHK-UHFFFAOYSA-N 364.854 3.576 0 40 FHAB O=C(NCC1CCN(Cc2cccs2)CC1)c1c(F)cccc1F 23128051 PNFRFAKBQPLWTO-UHFFFAOYSA-N 350.434 3.668 0 40 FHAB O=C(CCCOc1ccccc1)Nc1cc(Cl)ccc1-n1cncn1 24042062 YFUHPBQHTOIPOS-UHFFFAOYSA-N 356.813 3.718 0 40 FHAB O=C(NC[C@H](O)c1ccc(Cl)cc1)c1ccccc1Br 24831445 PKTHGLMLVQRRPB-AWEZNQCLSA-N 354.631 3.566 0 40 FHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)N[C@H](C)c1ccccc1F 24953973 MJMPYSYIMRNTNY-CABCVRRESA-N 367.428 3.870 0 40 FHAB CC1(C)CSC2=[N+]1C[C@@](O)(c1ccc(Cl)cc1)N2c1ccccc1 26506513 IYUADUSYCAJDLM-LJQANCHMSA-N 359.902 3.899 0 40 FHAB Cc1cc(C)cc(OCC(=O)N2CCC(CCN3CCCCC3)CC2)c1 27994727 OLKPKIAFAKYVOH-UHFFFAOYSA-N 358.526 3.797 0 40 FHAB O=C(c1cc(=O)c2ccccc2o1)N(Cc1cccs1)C[C@H]1CCCO1 28251437 FAQCDVXAVUOXOM-CQSZACIVSA-N 369.442 3.676 0 40 FHAB O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cncn1-c1ccc(F)cc1 29352284 NECMMLMDMGOYSW-UHFFFAOYSA-N 353.382 3.715 0 40 FHAB CN(C)C(=O)c1ccc(NC(=O)c2csc(-c3ccsc3)n2)cc1 29761237 XRMFXDBNPCDWET-UHFFFAOYSA-N 357.460 3.826 0 40 FHAB CC(C)(C)NC(=O)CC1(C(=O)NCc2ccc(Cl)cc2)CCCC1 32743615 ZTYKWPXOQPMKAJ-UHFFFAOYSA-N 350.890 3.821 0 40 FHAB C[C@H](Oc1ccccc1)C(=O)NCc1ccc(OCc2cccnc2)cc1 32930343 WVPHOWNCCGYJTO-KRWDZBQOSA-N 362.429 3.744 0 40 FHAB O=C(O)CC1(CNC(=O)CCn2ccc3ccc(F)cc32)CCCCC1 36364968 SYGFDJCGMBVXPT-UHFFFAOYSA-N 360.429 3.712 0 40 FHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)[C@H](C)c1ccc(F)cc1 36484885 DGIKYGAJVRAVDP-LSDHHAIUSA-N 369.440 3.582 0 40 FHAB COc1cccc(N2C(=O)C[C@@H](Nc3cccc(Cl)c3Cl)C2=O)c1 36635620 NUUVEYRTXFKKTP-CQSZACIVSA-N 365.216 3.746 0 40 FHAB COc1ccc2cc([C@H](C)C(=O)N(C[C@H]3CCOC3)C3CC3)ccc2c1 40157470 GAPMBUSTQPGOCN-JKSUJKDBSA-N 353.462 3.979 0 40 FHAB CN1CCN(C(=O)c2cccc(-c3nc4cc(Cl)ccc4o3)c2)CC1 41127546 KUWHFOZDWRKCBN-UHFFFAOYSA-N 355.825 3.536 0 40 FHAB O=C(NCCCOCc1ccco1)Nc1nnc(C2CCCCC2)s1 43603808 CLTDXJRVVCQOFE-UHFFFAOYSA-N 364.471 3.907 0 40 FHAB O=C(Nc1cccc(-c2nnco2)c1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 44086227 CVYVWKGRIIUYAE-DGCLKSJQSA-N 354.332 3.979 0 40 FHAB O=C(CSC1CCCC1)N1CCC(c2nnc(-c3ccco3)o2)CC1 44098739 XRRDPGNLEXXNKQ-UHFFFAOYSA-N 361.467 3.711 0 40 FHAB COCC(=O)Nc1cccc(NC(=O)N[C@@H](c2cccs2)C(C)C)c1 44109369 WUZWYHSEOWGCDX-QGZVFWFLSA-N 361.467 3.852 0 40 FHAB CCOc1cccc(C(=O)Nc2c(C)cc3nc(NN)sc3c2C)c1 45889336 QAXFDKYNNMOXAV-UHFFFAOYSA-N 356.451 3.850 0 40 FHAB O=C(Nc1ccccc1-n1ccnc1)c1ccc(OC[C@@H]2CCCO2)cc1 45940328 HJOSSHMXUONKSF-SFHVURJKSA-N 363.417 3.682 0 40 FHAB CCC(=O)Nc1ccc(C)c(NC(=O)N[C@H]2CCOc3ccccc32)c1 48256992 KZEOENIOTRMYCH-INIZCTEOSA-N 353.422 3.989 0 40 FHAB Cc1noc2nc(-c3ccco3)cc(C(=O)N(Cc3ccccn3)C3CC3)c12 48265627 CYHARFRIPVANEJ-UHFFFAOYSA-N 374.400 3.991 0 40 FHAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)Nc1ccccc1C(F)(F)F 54349906 KFDIPNLYKPHRPX-GFCCVEGCSA-N 354.332 3.725 0 40 FHAB CCOc1cccc(CNC(=O)COc2cccc(C(F)(F)F)c2)c1 57669611 NVSPCLYMOKNPAX-UHFFFAOYSA-N 353.340 3.799 0 40 FHAB COc1ccc(NC(=O)NC[C@H](C)Cn2nc(C)cc2C)c2cccnc12 58050703 BZNSEPJPLPENON-ZDUSSCGKSA-N 367.453 3.515 0 40 FHAB C[C@@H](Oc1ccc(F)cc1)C(=O)NC1CCN(CC2CCCCC2)CC1 58406540 GCETYUBJPHPJHF-MRXNPFEDSA-N 362.489 3.754 0 40 FHAB CCOc1cccc(CNC(=O)c2n[nH]nc2Nc2cccc(Cl)c2)c1 67284049 NTRGSMSFKXLNBC-UHFFFAOYSA-N 371.828 3.530 0 40 FHAB CSc1ccc(CNC(=O)c2n[nH]nc2Nc2cccc(Cl)c2)cc1 67284068 AKZPDQUCRIAGMA-UHFFFAOYSA-N 373.869 3.854 0 40 FHAB CC(C)CNC(=O)c1ccccc1NC(=O)COc1cccc(Cl)c1 69297556 GEVNDBSWTZUIFQ-UHFFFAOYSA-N 360.841 3.743 0 40 FHAB COc1ccccc1Cc1nnc(C2(c3ccccc3)CCOCC2)o1 71889964 QYIMOYDBMPVUSS-UHFFFAOYSA-N 350.418 3.766 0 40 FHAB Cc1ccc(NC(=O)N[C@H](C[S@](C)=O)c2ccccc2)cc1Cl 72306118 HREWPIYBZTVBNL-WAIKUNEKSA-N 350.871 3.890 0 40 FHAB O=C(c1cccnc1)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 72362085 YKQRZHOGMIGOKP-KRWDZBQOSA-N 360.417 3.684 0 40 FHAB Cc1ccc(OCC(=O)N(Cc2ncc[nH]2)c2cccc(F)c2)c(C)c1 75092872 RVDWOJLIEYYUHV-UHFFFAOYSA-N 353.397 3.778 0 40 FHAB Cc1nc2c3ccccc3nc(N3CCSC[C@H]3c3ccccc3)n2n1 75103477 NKPBABZUOLYFIL-SFHVURJKSA-N 361.474 3.880 0 40 FHAB CC(C)n1c([C@@H]2CCCN2c2cc(-n3ccnc3)ncn2)nc2ccccc21 79048005 BYYGNLMUCPRPSM-SFHVURJKSA-N 373.464 3.934 0 40 FHAB CCn1c(SCCNC(=O)OC(C)(C)C)nnc1-c1cccc(C)c1 83836966 HJWYVUMEKCBBJS-UHFFFAOYSA-N 362.499 3.890 0 40 FHAB Cc1nnc([C@@H]2CCCN2C(=O)c2sc(-c3ccccc3)nc2C)o1 84064695 IVJJRHCTPVOTPE-AWEZNQCLSA-N 354.435 3.787 0 40 FHAB O=S(=O)(CCN1CCC[C@@H]1Cc1ccccc1Cl)c1ccccc1 84558653 XAGUWIXZILYAEP-QGZVFWFLSA-N 363.910 3.821 0 40 FHAB COc1cccc2sc(OC3CN(C(=O)/C=C/c4cccs4)C3)nc12 90594178 CQNSCLQDAXIJJA-BQYQJAHWSA-N 372.471 3.669 0 40 FHAB O=C(C[C@@H]1OCCc2ccccc21)Nc1cccc(CCN2CCCC2)c1 94122289 RIDWUCSEBFYUFD-QFIPXVFZSA-N 364.489 3.968 0 40 FHAB Cc1nc2n(c(=O)c1C)CN(C(C)C)CN2c1cccc(C(F)(F)F)c1 95481434 VMKYNUDRHJADRA-UHFFFAOYSA-N 366.387 3.656 0 40 FHAB O=C(c1cncc(Br)c1)N1CCC(c2cccs2)CC1 96120591 GJCJJSOFDIZAHR-UHFFFAOYSA-N 351.269 3.925 0 40 FHAB Cc1cnc(CNC(=O)c2cc3c(c4ccccc4n3C)n2C(C)C)cn1 96264166 MLHGCXGGQJNSOB-UHFFFAOYSA-N 361.449 3.742 0 40 FHAB O=C(NCC1CC1)c1ccn(-c2ccc3ccc(-c4ccccc4)cn23)n1 96266985 PUWHGEFDNNUSOE-UHFFFAOYSA-N 356.429 3.932 0 40 FHAB CC(C)n1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1ccc(Cl)cc1 101113589 ZGKWWIIEJGRURY-CJLVFECKSA-N 356.813 3.697 0 40 FHAB CC(=O)CSc1nc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2s1 110094259 RYFHOJKBHWLFQB-CHWSQXEVSA-N 374.487 3.657 0 40 FHAB OCc1ccc2oc(-c3cccc(I)c3)nc2c1 216796464 PSJQHYOODQUILI-UHFFFAOYSA-N 351.143 3.592 0 40 FHAB COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 219054374 SRYXEGFWQOXDJO-ZIAGYGMSSA-N 363.841 3.700 0 40 FHAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C 222526946 ZDTGXRAFMPAQRB-INIZCTEOSA-N 372.896 3.663 0 40 FHAB CC(C)Sc1nnc(NS(=O)(=O)Cc2cccc(Cl)c2)s1 223586568 BUUUMRSDNIYKTE-UHFFFAOYSA-N 363.917 3.634 0 40 FHAB CC1CCN(c2ccc(NC(=S)NCc3ccc(F)cc3)cn2)CC1 223947447 LSERSDPQMUSEOQ-UHFFFAOYSA-N 358.486 3.944 0 40 FHAB COc1cccc(OCCNC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 225152690 FDTXOTKUVGNSCI-INIZCTEOSA-N 369.461 3.537 0 40 FHAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@@H](C)C(C)C)ccc1C 225199859 HOEJLKXQCSGKRW-INIZCTEOSA-N 374.506 3.879 0 40 FHAB O=C(NCCc1cnc(-c2ccccc2)nc1)c1nc2ccccc2s1 225591952 JKXBZFJJLBLMPX-UHFFFAOYSA-N 360.442 3.726 0 40 FHAB CSc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1NC(C)=O 225728650 MQEYUCRNAUVSFL-UHFFFAOYSA-N 364.492 3.785 0 40 FHAB COc1ccccc1NC(=O)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 225739770 QIGQAQCUJFVZTP-MRXNPFEDSA-N 363.417 3.929 0 40 FHAB NNc1nc2c(Br)cc(NC(=O)C3CCCCC3)cc2s1 226312597 HMZUSNJKZXUDRH-UHFFFAOYSA-N 369.288 3.863 0 40 FHAB O=C1C[C@]2(CC[C@@H]3[C@H](C(=O)NCc4ccccc4F)[C@@H]32)Oc2ccccc21 247850579 GXBAPDJCFYVWNO-BTIFBSDPSA-N 365.404 3.502 0 40 FHAB Cc1ccc2c(C(=O)N3CCC([C@H]4C[C@@H](N)CCO4)CC3)csc2c1 333296876 PLRJPCLGXCNTQZ-MAUKXSAKSA-N 358.507 3.568 0 40 FHAB O=C1NC(=O)/C(=C\c2ccccc2OCc2ccc(Cl)c(Cl)c2)N1 408919140 TZJKFVVQLFHFJP-RIYZIHGNSA-N 363.200 3.753 0 40 FHAB Cc1cccc(Cn2cc([C@@H]3NC[C@@H](C(=O)O)S3)c3ccccc32)c1 408977251 HVMKVADNBUIRBI-RBUKOAKNSA-N 352.459 3.786 0 40 FHAB O=C1N/C(=C\c2cc(Cl)c(O)c(Cl)c2)C(=O)N1Cc1ccccc1 409207259 UXWVJRJPGWJMRQ-ZSOIEALJSA-N 363.200 3.792 0 40 FHAB CC(C)c1c(NC(=O)N[C@]23C[C@H]2COC3(C)C)cnn1-c1ccccc1 529084310 ZOMSRXBONIGGDH-VBKZILBWSA-N 354.454 3.685 0 40 FHAB O=C(NCC[C@H](CCO)c1ccsc1)c1cc(-c2ccccc2)on1 575605797 DPWAIZYJLYJMHU-CQSZACIVSA-N 356.447 3.689 0 40 FHAB Cc1cc(S(C)(=O)=O)cc(C(=O)N2Cc3cccc(Cl)c3C2)c1C 585082778 FYOXCLHVEFGOKM-UHFFFAOYSA-N 363.866 3.516 0 40 FHAB O=C([C@H]1CCCN1Cc1ccc(Cl)cc1)N1CCc2c(O)cccc2C1 629151469 GHICGXZLXCNUKG-LJQANCHMSA-N 370.880 3.595 0 40 FHAB CCn1ccc(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)n1 1615122833 AWLQCLBURRNRKK-NRFANRHFSA-N 370.472 3.706 0 40 FHAB CC(C)(C)NC(=O)N1CCC[C@H](COc2ncccc2C(F)(F)F)C1 1775972647 PLFQQJNDRRXJCL-LBPRGKRZSA-N 359.392 3.699 0 40 FHAB CCCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(N3CCCCC3)cc2)C1 54815128 SQQLUPFZZOLTOX-QGZVFWFLSA-N 357.498 3.654 0 40 FHAB COc1ccc(Nc2nc(NC[C@H]3CCCO3)c3ccccc3n2)cc1 641554 BFNMAAGYASYEHL-MRXNPFEDSA-N 350.422 3.973 0 40 FHAB COc1ccc([C@@H]2SCC(=O)N2Nc2ncc(Cl)cc2Cl)cc1 1299829 TUJNOWORNNXEAJ-HNNXBMFYSA-N 370.261 3.998 0 40 FHAB CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc(F)cc4)ccc1c23 1463014 SUFMFRWLORNKTP-UHFFFAOYSA-N 370.405 3.760 0 40 FHAB in-vitro O=C(Nc1ccccc1)Nc1snnc1C(=O)Nc1ccccc1F 1417009 XHWJYPGNNXDMCU-UHFFFAOYSA-N 357.370 3.574 0 40 FHAB CCN(CC)CCOC(=O)[C@](O)(c1ccccc1)c1cc(C)cc(C)c1C 6382281 LZTODCAWQQAYNA-QHCPKHFHSA-N 369.505 3.733 0 40 FHAB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 6635798 UGEUKDVPPCNTOK-OQZOHAQUSA-N 353.440 3.670 0 40 FHAB Cc1ccc(-c2nc(Cn3nc(-c4cccs4)oc3=O)co2)c(C)c1 44120562 AKGRRKLNFLSQRD-UHFFFAOYSA-N 353.403 3.885 0 40 FHAB CC(C)[C@@H](NCC(=O)NC(=O)NCc1ccccc1)c1ccc(Cl)cc1 57585392 LUNAQXMSLVXTEM-LJQANCHMSA-N 373.884 3.653 0 40 FHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(F)c(Cl)c1 8168557 OQSHMNHGPRQFJX-UHFFFAOYSA-N 368.817 3.623 0 40 FHAB C[C@H](N[C@H](C)c1ccc(Cl)cc1)C(=O)NC(=O)NC1CCCCC1 57679513 GQCDOMQAWPVHTN-OLZOCXBDSA-N 351.878 3.538 0 40 FHAB CC(C)OC(=O)Cc1nc(CN2CCc3sccc3[C@@H]2C)cs1 58010032 LGVAETFMNBTMML-LBPRGKRZSA-N 350.509 3.818 0 40 FHAB CCOC(=O)c1cccc(NC(=O)c2cccc(Nc3ncccn3)c2)c1 24690896 JNFUCPSIDMDNEK-UHFFFAOYSA-N 362.389 3.649 0 40 FHAB O=C(/C=C/c1ccco1)NC(=S)Nc1cc(Cl)cc(Cl)c1O 9140581 JWTWFSLMYYABLR-ONEGZZNKSA-N 357.218 3.818 0 40 FHAB O=C(Nc1ccccc1)c1cnc2scc(-c3ccc(F)cc3)n2c1=O 20767912 NUDXSEGPSYWXNH-UHFFFAOYSA-N 365.389 3.814 0 40 FHAB Cc1ccc(OCc2nc(CN3C(=O)c4ccccc4C3=O)cs2)cc1 58481453 WHYUTPOPRBVEKY-UHFFFAOYSA-N 364.426 3.827 0 40 FHAB COCCCn1c2c(c(SCc3ccc(Cl)cc3)nc1=O)CCC2 28289134 VIPRRFOAOZMXLX-UHFFFAOYSA-N 364.898 3.714 0 40 FHAB COC(=O)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]2[C@@H]2CC[C@@H]3C2)cc1 102784931 XYEPZFXWJXPTAL-MRLBHPIUSA-N 373.499 3.875 0 40 FHAB C[C@H](Nc1nc2ccccc2s1)C(=O)Nc1ccc2c(c1)OCCCO2 29008022 MBEWPWPCGIRRID-LBPRGKRZSA-N 369.446 3.897 0 40 FHAB O=C(COc1cccc(C(F)(F)F)c1)NCCCOC1CCCCC1 61547016 XPNKTEOLODFPJN-UHFFFAOYSA-N 359.388 3.940 0 40 FHAB Cc1ccc(C2=C[C@@H](c3ccc(C)cc3)n3nc(CCCO)nc3N2)cc1 100706943 PZMDSEQWRYIZAF-FQEVSTJZSA-N 360.461 3.876 0 40 FHAB COc1ncccc1NC(=O)Cn1c(C)cc(-c2csc(C)n2)c1C 47553723 TYIGIHMZEGTKGV-UHFFFAOYSA-N 356.451 3.579 0 40 FHAB COCc1c(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)oc2ccccc12 12760958 NJPRVHAYWXFLHF-UHFFFAOYSA-N 364.401 3.741 0 40 FHAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)cn1 3322839 BJBVCGXUSWQJSU-UHFFFAOYSA-N 358.703 3.549 0 40 FHAB O=C1N/C(=C/c2ccc(Br)o2)C(=O)N1c1cccc(Cl)c1 409105182 HEUVMVFPFXPSKF-YRNVUSSQSA-N 367.586 3.793 0 40 FHAB CCCn1c(=O)n(CCC(=O)Nc2cc(C)ccc2OC)c2ccccc21 12811208 UXDQTLDXYNSJQJ-UHFFFAOYSA-N 367.449 3.559 0 40 FHAB O=C(c1ccco1)N1N=C(c2ccccc2)C[C@@H]1c1ccc2c(c1)OCO2 8843943 BIGJIRYRNLJYRF-QGZVFWFLSA-N 360.369 4.000 0 40 FHAB Cc1cccc(NC(=O)c2cn(C)nc2-c2ccc3c(c2)OCCCO3)c1 12995346 SFDVIEJSINQMPX-UHFFFAOYSA-N 363.417 3.809 0 40 FHAB CC[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cccc(OC(F)(F)F)c1 4107608 XJHCOPDCDBICDD-CQSZACIVSA-N 364.323 3.963 0 40 FHAB CCOc1ccc(N2C[C@@H](C(=O)Oc3cc(C)cc(C)c3)CC2=O)cc1 5002160 XYDDKLPDJPXPMW-INIZCTEOSA-N 353.418 3.661 0 40 FHAB CCCCOc1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1 9190073 MAHCQNVCGIBZKX-UHFFFAOYSA-N 351.406 3.846 0 40 FHAB CCCCCC1=NN(C(=O)c2cccc(OC)c2)[C@@](O)(C(F)(F)F)C1 4309911 BWGVZIDVFUEZRH-INIZCTEOSA-N 358.360 3.728 0 40 FHAB CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(Cl)cc1Cl 5279164 UJYCLNOHXYMJEI-UHFFFAOYSA-N 372.273 3.717 0 40 FHAB CC(C)C(=O)Nc1ccc(NC(=O)NC[C@@]2(N(C)C)CCC[C@H](C)C2)cc1 65513921 ZBUGEDCIGQBLSB-HRAATJIYSA-N 374.529 3.913 0 40 FHAB CC(C)Cc1ccc([C@H](C)N[C@H](C)C(=O)NC(=O)NC2CCCC2)cc1 28877809 AIJWKZCRCIIXAR-JKSUJKDBSA-N 359.514 3.693 0 40 FHAB Fc1ccc([C@H](NCc2nnnn2-c2ccccc2)c2cccs2)cc1 14199165 CJZOWGBGKNZUEH-IBGZPJMESA-N 365.437 3.742 0 40 FHAB Clc1ccc(-n2nnnc2[C@H](NCc2ccco2)c2ccccc2)cc1 4677389 QTCDVFYCTCAVND-GOSISDBHSA-N 365.824 3.788 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccn2)N1Cc1ccco1 5516183 GBMVHFIXZONTTJ-SFHVURJKSA-N 358.353 3.526 0 40 FHAB CCCCc1cc(=O)oc2cc(OCC(=O)Nc3cccnc3)ccc12 6672370 KABWSDYDENYVJZ-UHFFFAOYSA-N 352.390 3.548 0 40 FHAB Cc1ccnc(-n2c(C)c(C)c3c2ncn2nc(Cc4ccccc4)nc32)c1 9344302 KMFRMHYHVNEWTP-UHFFFAOYSA-N 368.444 3.979 0 40 FHAB Cc1ccccc1[C@H](C)NC(=O)CSc1nc(-c2ccccc2F)n[nH]1 9455374 VVOGFVUPFTYIOO-ZDUSSCGKSA-N 370.453 3.889 0 40 FHAB CN(C)c1ncccc1NC(=O)COc1ccc(Cl)c2ccccc12 71795563 MBQNZLQALLZEHA-UHFFFAOYSA-N 355.825 3.972 0 40 FHAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCN(Cc3ccccc3)CC2)o1 16202657 ZEOKUKKJXKXNLI-WLZBKEPESA-N 350.462 3.761 0 40 FHAB CN(C)C1(CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)CCCCC1 8341072 ANCMTKNVNCRMOB-UHFFFAOYSA-N 366.509 3.744 0 40 FHAB O=c1c2ccccc2nc2sc(COc3ccc(F)c(Cl)c3)nn12 17074466 LDVQGFZBJOITDT-UHFFFAOYSA-N 361.785 3.676 0 40 FHAB CC(C)[C@H](CNC(=O)c1cc(-c2ccccn2)nc2ccccc12)N(C)C 25451490 MWUTXSCWDNVJDP-NRFANRHFSA-N 362.477 3.613 0 40 FHAB Cc1cccc(NC(=O)CCC(=O)Nc2nnc(C(F)(F)F)s2)c1C 17208724 ZOZZEUWPJVMDPC-UHFFFAOYSA-N 372.372 3.531 0 40 FHAB COc1ccc(Br)c(C(=O)NCCc2cccc(F)c2)c1 18136824 LNGUFUMZAQUYLP-UHFFFAOYSA-N 352.203 3.569 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)c1C 8745243 RTPBUFCOCFXFSL-INIZCTEOSA-N 361.873 3.520 0 40 FHAB CC[C@H]1CCCCN1C(=O)[C@H](C)N1CCC(Sc2ccccn2)CC1 72308937 ZHUPNSNLCLAXBB-IRXDYDNUSA-N 361.555 3.818 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@H]3CCCC[C@@H]3O)cc12 89568273 CXTKCMVMSVIXIS-HOTGVXAUSA-N 373.453 3.568 0 40 FHAB Clc1ccc(OCc2cccnc2)c(CNC[C@H]2CCN(C3CC3)C2)c1 75780461 JWPFFBZVLHYIJG-MRXNPFEDSA-N 371.912 3.888 0 40 FHAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](C)COc1ccc(OC)cc1 20488708 IMXNTLVSMJAEAI-OXQOHEQNSA-N 357.450 3.745 0 40 FHAB O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2CN(Cc3ccoc3)C[C@@H]21 306144320 ZCEPWCZINWGQTG-APWZRJJASA-N 371.483 3.763 0 40 FHAB COCCC(=O)N1CCC[C@@H](c2cc(-c3cccc(OC)c3)cc(C)n2)C1 72370057 NYKURFBQVOJUBQ-GOSISDBHSA-N 368.477 3.808 0 40 FHAB COc1cc(OC)c(OC)cc1/C=C1/SC(=O)N(c2ccccc2)C1=O 33928905 KMPCHMBEIFGWBI-LICLKQGHSA-N 371.414 3.953 0 40 FHAB COc1ccc(CCNC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 39749705 AVRWMYIFVRKXOY-UHFFFAOYSA-N 366.505 3.575 0 40 FHAB Cc1cc(-c2nc3ccc(N)cc3o2)ccc1I 216735095 ZWVWGLFKOIEFFW-UHFFFAOYSA-N 350.159 3.990 0 40 FHAB COc1cccc(CN2C[C@@H](N(C)C)[C@H](c3cn(C)c4ccccc34)C2)c1 72395135 PUAIZSKZBPRPDR-JTHBVZDNSA-N 363.505 3.717 0 40 FHAB NC(=O)c1ccc(C(=O)Nc2ccccc2Oc2ccccc2Cl)nc1 63474074 YORXAQRYVMBZSV-UHFFFAOYSA-N 367.792 3.879 0 40 FHAB CCc1nc(-c2cccc(OCC(=O)Nc3ccccc3Cl)c2)no1 33327480 NNLWBRHQIZQSEI-UHFFFAOYSA-N 357.797 3.970 0 40 FHAB CO[C@@](C)(C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1)C1CC1 225643942 DOECGXLOFRJRNQ-HYFFOGBASA-N 374.525 3.797 0 40 FHAB Cc1cn(C2CCCCC2)[nH]c1=NC(=O)c1ccncc1C(F)(F)F 328652781 BYVVDIWWJHQSQI-UHFFFAOYSA-N 352.360 3.785 0 40 FHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222694012 QXLUQDHXHZMGIU-KBXCAEBGSA-N 371.433 3.501 0 40 FHAB COc1ccc(NC(=S)NC2(c3ccccn3)CCCC2)c(OC)c1 225848912 LKQNDCITAWONMN-UHFFFAOYSA-N 357.479 3.855 0 40 FHAB O=C(Nc1ccccc1)c1cccc(NS(=O)(=O)Cc2ccccc2)c1 47195043 CIMGOAVDAVIYSO-UHFFFAOYSA-N 366.442 3.881 0 40 FHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1cccc(OC)c1 224445286 AZKICZIKFGLJCQ-SFHVURJKSA-N 363.841 3.701 0 40 FHAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NCC(C)C 224421369 NSDNCAPAZROQME-GFCCVEGCSA-N 359.297 3.893 0 40 FHAB O=C(N[C@H]1COc2ccccc2C1)c1cc(-c2ccc(Cl)cc2)on1 195673644 FRALOJKRNKUOOO-OAHLLOKOSA-N 354.793 3.729 0 40 FHAB CCOc1ccc([C@H](N)c2n[nH]c(-c3ccccc3Cl)n2)cc1OCC 95534568 UJFYCESXXJTHKV-KRWDZBQOSA-N 372.856 3.971 0 40 FHAB CCOC[C@@H]1COCCC12CCN(Cc1ccc3ccccc3n1)CC2 96106424 NWTIYTZODCQJOL-LJQANCHMSA-N 354.494 3.890 0 40 FHAB CC(C)c1noc(-c2ccccc2NC(=O)[C@@H]2COc3ccccc3O2)n1 96346519 HNEDEKIAXSSLIN-KRWDZBQOSA-N 365.389 3.639 0 40 FHAB Cc1nc(-c2ccc(F)cc2)nc2c1CCN(C(=O)NC1CCCC1)CC2 96254768 LMVGTOFPJACQRC-UHFFFAOYSA-N 368.456 3.644 0 40 FHAB Cc1ccc(CN2C[C@@H](OCc3csc(C)n3)[C@H]3OCCC[C@H]32)s1 96058122 RMPZXJBACPXKQU-KURKYZTESA-N 364.536 3.770 0 40 FHAB CC1(C)[C@H](NC(=O)c2ccon2)[C@@]23CCO[C@H](c4ccccc4)[C@H]2C[C@@H]1C3 257203827 ARUUCOKRWXAQMU-WBNVOKHJSA-N 366.461 3.987 0 40 FHAB Fc1cccnc1CN1CCC(c2ccnc(Nc3cnccn3)c2)CC1 257329208 XIYFKSMYFJIHER-UHFFFAOYSA-N 364.428 3.529 0 40 FHAB O=C(NCc1ccccc1)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@H]34)[C@H]21 263586056 PHPWGEMSZMRUSS-YSFYHYPLSA-N 365.521 3.791 0 40 FHAB C[C@@H](NC(=O)N1CCC[C@@H](n2ccnc2)C1)c1ccc(F)c(Cl)c1 590859875 CEZQVVWUYMQBPU-TZMCWYRMSA-N 350.825 3.783 0 40 FHAB CN(C)c1ccc(C(=O)NCc2ccc([C@@H](O)c3cccs3)s2)cc1 90613547 RYIYELALSZHNKV-SFHVURJKSA-N 372.515 3.887 0 40 FHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N1c2ccccc2OC[C@H]1C 72531544 BXEJFJKGHQJLCA-CYBMUJFWSA-N 350.422 3.748 0 40 FHAB O=C(Nc1c(F)cccc1F)N1CC(Oc2ccnc(C(F)(F)F)c2)C1 1776009272 XBFLVQRJUGKBHN-UHFFFAOYSA-N 373.281 3.674 0 40 FHAB O=C(Nc1ccncc1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 47430541 YJDKXPVJCYOKHO-OAHLLOKOSA-N 364.232 3.632 0 40 FHAB O=C1C[C@@H](c2ccccc2)N(Cc2ncc(-c3ccc(F)cc3)o2)CCN1 52834649 FGZCMPDVUBLEDY-SFHVURJKSA-N 365.408 3.544 0 40 FHAB Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)CCc2cccs2)c1 78594020 LTQQQIFLGAULSY-INIZCTEOSA-N 360.504 3.529 0 40 FHAB COC(=O)c1cc(-c2ccc(/C=C3\SC(=N)NC3=O)o2)ccc1Cl 5027426 XSJSHNBOTUXGLE-QPEQYQDCSA-N 362.794 3.525 0 40 FHAB CCOC1=C[C@@H](C)N(S(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc21 5066730 CIVWJLULVNMXQL-OAHLLOKOSA-N 373.474 3.978 0 40 FHAB CCOc1ccc(Cc2nnc(Nc3c(C)cccc3C)[nH]c2=O)cc1 5154363 ZFVXWBGSAPLMGZ-UHFFFAOYSA-N 350.422 3.515 0 40 FHAB CCCc1oc2cc(C)c(NS(=O)(=O)CC)cc2c1C(=O)OCC 11615822 NFVCAVPKUGPENS-UHFFFAOYSA-N 353.440 3.632 0 40 FHAB O=C(Nc1ccc2c(c1)CCC2)[C@H]1CC(=O)N(c2ccccc2Cl)C1 14233819 BCQUXRFIPIKOFB-HNNXBMFYSA-N 354.837 3.820 0 40 FHAB COc1ccc(CN2CCC[C@H](c3cc4ncccc4[nH]3)C2)cc1OC 19561001 MCZIVTSZQYESCO-INIZCTEOSA-N 351.450 3.960 0 40 FHAB Cc1cc(C)n(CCCC(=O)N[C@@H]2[C@H]3CCC[C@H]3[C@H]2c2ccccc2)n1 19574198 UUVJGRZWXTUFGE-NPDDRXJXSA-N 351.494 3.979 0 40 FHAB O=C(CSc1nc2ccccc2[nH]1)Nc1cc(Cl)ccc1C(=O)O 19974462 MVJQQPPJCKGWCI-UHFFFAOYSA-N 361.810 3.645 0 40 FHAB Fc1ccc2nc(N3CC[C@H](COc4cc5c(nn4)CCC5)C3)sc2c1 1888914255 NNABJTYBGZSQPM-LBPRGKRZSA-N 370.453 3.619 0 40 FHAB O=S(=O)(N[C@@H](c1cccs1)C1CCOCC1)c1cccc(Cl)c1 1565523074 FXZAUZZHPNFEBP-MRXNPFEDSA-N 371.911 3.848 0 40 FHAB CSc1nnc(NC(=O)COc2ccc(Cl)cc2Cl)s1 4086586 FVBNAZVFXQQPBZ-UHFFFAOYSA-N 350.252 3.584 0 40 FHAB Cc1ccc(-n2nnc(-c3nc(-c4ccc(Cl)cc4)no3)c2N)cc1C 4313484 SEIKFEZEQAMYGQ-UHFFFAOYSA-N 366.812 3.837 0 40 FHAB COc1ccc(-c2cc(=O)n3c(-c4ccccc4F)nnc3s2)cc1 4786649 ZMSOAAWTCQIZOQ-UHFFFAOYSA-N 353.378 3.633 0 40 FHAB O=c1nc(SCc2cccc(F)c2)c2c(n1Cc1ccncc1)CCC2 5264328 MCWCQCXDDOSNOM-UHFFFAOYSA-N 367.449 3.607 0 40 FHAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)CC(C)C)ccc1O2 8961489 AVAYDKKNENTOPF-UHFFFAOYSA-N 374.462 3.775 0 40 FHAB Cc1ccc(CSc2nc(CC(=O)NCc3cccnc3)cs2)cc1 8936330 SXJPNZXCMJMXAO-UHFFFAOYSA-N 369.515 3.998 0 40 FHAB COc1ccccc1NC(=O)Cn1cc(-c2nnc(C)o2)c2ccccc21 11695932 SASQTZQYUMJYNW-UHFFFAOYSA-N 362.389 3.647 0 40 FHAB CN(C)c1cccc(C(=O)NCc2ccc(C(=O)c3ccco3)s2)c1 211081662 IGSUGYZKZMNFPZ-UHFFFAOYSA-N 354.431 3.568 0 40 FHAB O=C([C@@H]1CCCN(Cc2c(F)cccc2Cl)C1)N1CCC(F)(F)CC1 2298213116 WEWAYAOQYVHEKJ-CYBMUJFWSA-N 374.834 3.949 0 40 FHAB CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)N(C)c1ccccc1 40160764 MEKYMVWRFSKZQH-SFHVURJKSA-N 356.491 3.510 0 40 FHAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(NC(N)=O)cc1 30899101 QVWCQNAVTIOLKN-UHFFFAOYSA-N 352.221 3.756 0 40 FHAB O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NC1CCCCCCC1 31675098 WOXPBSVZIDWVGM-UHFFFAOYSA-N 363.523 3.568 0 40 FHAB O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(Br)cc1 102148156 DMQGACQEUDFYIS-AVGNSLFASA-N 366.255 3.757 0 40 FHAB O=C(C[S@@](=O)Cc1c(F)cccc1Cl)NCCC1=CCCCC1 32765069 XYLNFACMXUNRBG-HSZRJFAPSA-N 357.878 3.735 0 40 FHAB CC(=O)Nc1cc(N[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)ccc1F 32771522 OIGBOYDHVJASRB-LLVKDONJSA-N 359.401 3.615 0 40 FHAB Cc1ccccc1/C=C/c1nc(SCC(=O)NCc2cccs2)n[nH]1 32885469 NPBOHXUWJJTPJA-CMDGGOBGSA-N 370.503 3.754 0 40 FHAB O=C(CCCn1c(=O)oc2ccccc21)N1CCSc2ccccc21 32997882 ADBGTLYOGVRJIV-UHFFFAOYSA-N 354.431 3.514 0 40 FHAB CCOc1ccc(N2C(=O)C[C@H](Nc3cccc(C(C)C)c3)C2=O)cc1 103022340 SKUKWODCUUSYEF-IBGZPJMESA-N 352.434 3.953 0 40 FHAB Cc1ccc(-c2nc(CC(=O)Nc3ccc(N(C)C)nc3)cs2)cc1 22419889 LUWPPPLEXMPKRD-UHFFFAOYSA-N 352.463 3.761 0 40 FHAB CN1CCN(CCCNCc2c(-c3ccccc3)[nH]c3ccccc23)CC1 22814665 NDLRUPCEBRSYFM-UHFFFAOYSA-N 362.521 3.562 0 40 FHAB Cc1ccc(C(=O)Nc2ccccc2NS(=O)(=O)c2cccs2)cn1 23194878 ACGXBCLVFLFDQQ-UHFFFAOYSA-N 373.459 3.505 0 40 FHAB Cc1ccc(C)c2sc(NC(=O)[C@H](C)Sc3nncs3)nc12 42713115 BOXLMSNCKHZIRV-VIFPVBQESA-N 350.494 3.884 0 40 FHAB Cc1ccccc1N1C(=O)c2ccc(C(=O)OCCC(C)C)cc2C1=O 797295 PLAQFHKJKJMINN-UHFFFAOYSA-N 351.402 3.999 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)N3[C@@H](C)CCC[C@H]3C)n2C)cc1 916498 WYJXPXMIANILLG-GASCZTMLSA-N 358.511 3.672 0 40 FHAB Cc1ccc(OCC(=O)NCCc2nc3ccccc3[nH]2)c(C(C)(C)C)c1 942349 FHTNQDSAPJNDAZ-UHFFFAOYSA-N 365.477 3.907 0 40 FHAB CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccccc1N 1364498 IQMFXGOGNXBQRO-UHFFFAOYSA-N 368.462 3.531 0 40 FHAB Cc1ccccc1OCC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 3325031 ARKKWLCABYDIAH-UHFFFAOYSA-N 366.442 3.840 0 40 FHAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)Cc1cccc2ccccc12 3530106 SHOGKPBYGVKVBM-MRXNPFEDSA-N 359.425 3.903 0 40 FHAB O=C(NCc1cccc(Cl)c1)c1ccccc1I 3562469 PAOQWYBINFCKKC-UHFFFAOYSA-N 371.605 3.875 0 40 FHAB CCCCCCOc1ccc([C@H]2C(C(=O)OC)=C(C)Nc3ncnn32)cc1 4071192 XWUMEWSMOMRZHJ-SFHVURJKSA-N 370.453 3.699 0 40 FHAB O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CC(=O)N(c2ccccc2)C1 4359907 JDMVCROQRRNNGI-LBPRGKRZSA-N 364.232 3.920 0 40 FHAB Cc1cc2oc(=O)cc(Cn3nnc(-c4ccccc4C)n3)c2cc1Cl 4762999 GLBFGNHJCSTPPG-UHFFFAOYSA-N 366.808 3.765 0 40 FHAB CCn1nnc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)n1 6356726 WLGPUUQPRQBCAV-UHFFFAOYSA-N 352.181 3.512 0 40 FHAB COc1cc([C@@H]2NC(=O)c3c(sc4ccccc34)N2)cc(OC)c1OC 6490543 TZDRZAOXGMEUBT-QGZVFWFLSA-N 370.430 3.781 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)OCc2cc(=O)oc3cc(C)c(C)cc23)c1C 6552966 HRLZKVPPRGHJLG-UHFFFAOYSA-N 367.401 3.914 0 40 FHAB CCCCNC(=O)Nc1nn(Cc2ccc(C)cc2)cc1Br 6649065 YHHPVXPJVRKMOK-UHFFFAOYSA-N 365.275 3.924 0 40 FHAB CCn1c(SCc2cc(C(C)=O)ccc2OC)nc2ccccc2c1=O 6654456 BDIQJQBYLWFJSF-UHFFFAOYSA-N 368.458 3.920 0 40 FHAB Cc1cccc(Oc2ccc(NC(=O)Cn3c(C)csc3=O)cc2)c1 6789536 YKJUBKSZBPZESB-UHFFFAOYSA-N 354.431 3.958 0 40 FHAB Cc1ccc(C)c(Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)c1 6818673 OTLXKTVKAORWGX-UHFFFAOYSA-N 362.454 3.879 0 40 FHAB O=C(CCCn1c(=O)oc2ccccc21)N[C@H]1CCSc2ccccc21 6852757 CLJOVJGLFXGRKP-HNNXBMFYSA-N 368.458 3.728 0 40 FHAB Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1 7585881 BQEREJJHPDBYDH-GOSISDBHSA-N 372.515 3.505 0 40 FHAB COc1ccc(OCCCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 7641993 XRVPRINNUYXBPJ-UHFFFAOYSA-N 368.433 3.620 0 40 FHAB Cc1ccc(SCCC(=O)OCC(=O)c2ccc3c(c2)OCO3)cc1 7740426 SUWKFHLJRMQFQT-UHFFFAOYSA-N 358.415 3.632 0 40 FHAB COC(=O)c1ccc(Cl)c(NC(=O)/C=C/c2ccc3c(c2)OCO3)c1 8092220 NKZJEHBXSKOTLZ-XVNBXDOJSA-N 359.765 3.507 0 40 FHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc2ccccc2n1 8349268 SDHGEUHTBYZCFT-OAHLLOKOSA-N 357.417 3.649 0 40 FHAB C[C@H](OC(=O)c1ccc(O)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 8488747 AKYYEHVUNUTCLI-LBPRGKRZSA-N 368.414 3.700 0 40 FHAB C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)NC[C@H](C)c1ccccc1 9450860 CLYLKGRRCBIQGM-LSDHHAIUSA-N 366.490 3.872 0 40 FHAB c1ccc(-c2ccc(CSc3nnnn3C[C@@H]3CCCO3)cc2)cc1 9481089 CMGANHJADSMQAZ-SFHVURJKSA-N 352.463 3.811 0 40 FHAB CC(C)CN(CC(C)C)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O 9722069 JGOYUZJJUVMNRP-JOCHJYFZSA-N 371.525 3.514 0 40 FHAB Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1Cl 9810415 RZEDHQWKEWDOQZ-UHFFFAOYSA-N 358.854 3.866 0 40 FHAB Cc1ccc(N2C(=O)c3ccc(C(=O)N4CCCCCC4)cc3C2=O)cc1 11566334 OOUSMBVYSHJWHS-UHFFFAOYSA-N 362.429 3.812 0 40 FHAB CSc1ncc(Cl)c(C(=O)OCc2cc(-c3cccs3)on2)n1 11575199 LVRUPGCSUAXLEV-UHFFFAOYSA-N 367.839 3.925 0 40 FHAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)C4CC4)C3)cc2n1 12220421 QNQARYXDVTVICQ-LBPRGKRZSA-N 366.387 3.597 0 40 FHAB O=C(c1cccc2nccnc12)N1CCCC[C@H]1c1nc2ccccc2[nH]1 12221902 ZCPAUHQVRMCGHE-SFHVURJKSA-N 357.417 3.874 0 40 FHAB CCC(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 12241399 AWMFIOSCBCVIDF-UHFFFAOYSA-N 369.490 3.872 0 40 FHAB COc1ccccc1[C@@H](NC(=O)Nc1ccc(C)cc1)c1nccn1C 12531639 SIDZCAHNWNITDI-GOSISDBHSA-N 350.422 3.648 0 40 FHAB CCc1nc2ccccc2n1CC(=O)N1CCC(c2ccc(O)cc2)CC1 12627484 GAEZHXYBRFADKY-UHFFFAOYSA-N 363.461 3.711 0 40 FHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)COc2ccccc2C)c1 12776451 QCUDHWRAHKJFPL-SFHVURJKSA-N 355.434 3.755 0 40 FHAB COc1cccc(/C=C/C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1OC 12909360 KQRJGWMFEFENQU-MDWZMJQESA-N 366.417 3.704 0 40 FHAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CC(C)(C)C 12988911 AWBRPDCDDOXBJO-UHFFFAOYSA-N 355.276 3.591 0 40 FHAB CC(=O)[C@@H](C)OC(=O)c1ccccc1SCC(=O)Nc1ccc(C)cc1 13055946 DVYVEMKUFXPMGB-OAHLLOKOSA-N 371.458 3.860 0 40 FHAB COCCNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 13098758 JYOISOJCXHUYPX-UHFFFAOYSA-N 367.474 3.598 0 40 FHAB Cc1cc(C(=O)O)ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 14097291 AVPDZPLKVGTTKU-UHFFFAOYSA-N 360.218 3.801 0 40 FHAB Cc1cccc(NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)c1 14398325 VEPFOLPJTNDJFG-UHFFFAOYSA-N 374.506 3.797 0 40 FHAB O=C(c1cncc(Br)c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 16307140 IIYLRHBFYZYTKJ-OAHLLOKOSA-N 371.238 3.698 0 40 FHAB Clc1ccc(COc2cccc(CNc3nnn[nH]3)c2)c(Cl)c1 16399636 PZVJCEJIOHRZSW-UHFFFAOYSA-N 350.209 3.698 0 40 FHAB CC(C)C[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1ccccc1 18101114 IGKFVPFUHTWJMI-QRVBRYPASA-N 368.408 3.550 0 40 FHAB C[C@H]1C[C@@H]1C(=O)N1CCC(c2nc3ccccn3c2NC(C)(C)C)CC1 19462803 IMPPOBNSPPUYNM-HOCLYGCPSA-N 354.498 3.907 0 40 FHAB Cc1nc(C2CCN(C(=O)C3CCCC3)CC2)sc1-c1ccncn1 19560651 FKVWSWACVJPQOJ-UHFFFAOYSA-N 356.495 3.805 0 40 FHAB Cc1ccc2cccc(NC(=O)c3ccc(C)c(N4CCOCC4)c3)c2n1 19664052 YIJTVIMCCZHBGR-UHFFFAOYSA-N 361.445 3.941 0 40 FHAB Cc1ccc(F)cc1NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O 19937747 VDMPAOLOARHUPW-UHFFFAOYSA-N 371.799 3.719 0 40 FHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(OC)c(OC)c1 20495739 ZAERIFXQKOVOES-INIZCTEOSA-N 363.841 3.831 0 40 FHAB CCN(C(=O)CCNC(=O)c1cccc(C)c1)C12CC3CC(CC(C3)C1)C2 21196356 LGRSHKFLAPKRJQ-UHFFFAOYSA-N 368.521 3.932 0 40 FHAB Nc1cc(NC(=O)c2ccccc2I)ccc1Cl 21962546 WFZAAYCXPOUSKP-UHFFFAOYSA-N 372.593 3.779 0 40 FHAB CCCc1cc(=O)oc2cc(OCC(=O)N(C)Cc3cccs3)ccc12 22824138 GCMYXDHMVDDVGN-UHFFFAOYSA-N 371.458 3.844 0 40 FHAB Cc1ccc2[nH]c(C)c(CC(=O)Nc3ccc(Cl)c(C(N)=O)c3)c2c1 25006627 QUJCRHZHWHXAJR-UHFFFAOYSA-N 355.825 3.718 0 40 FHAB Cc1ccccc1C(=O)NCCC(=O)OCc1cc(-c2cccs2)on1 25217737 IQKJGSZWJSTNLK-UHFFFAOYSA-N 370.430 3.575 0 40 FHAB CC1=C[C@H]2NN=C(SCc3cn4ccsc4n3)N2c2ccccc21 26465855 QCVCHAQOYCLCSQ-HNNXBMFYSA-N 353.476 3.753 0 40 FHAB CN(Cc1coc(-c2cccc(Cl)c2)n1)S(=O)(=O)c1cccs1 26777394 YRGNABVWXIUHAC-UHFFFAOYSA-N 368.867 3.877 0 40 FHAB O=C(c1ccc(F)cc1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1 28211024 VKQFBGDWXVJBIQ-UHFFFAOYSA-N 370.321 3.946 0 40 FHAB O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCN(Cc2cccs2)CC1 28631872 FTCGBFPGIMPIGD-ZWKOTPCHSA-N 360.910 3.849 0 40 FHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCc1ccccn1 28637092 YRNWVKYAEBFULP-UHFFFAOYSA-N 359.788 3.810 0 40 FHAB C[C@@H](N[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc(Cl)cc1 30282957 SXUKIRXCUQIQLF-DNVCBOLYSA-N 358.869 3.591 0 40 FHAB O=C(Nc1nnc2ccccn12)c1cccc(OCc2cccs2)c1 30690936 LPFPCKZYLVCBQJ-UHFFFAOYSA-N 350.403 3.622 0 40 FHAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 30867956 JGYZUQZPSUSXLI-MRXNPFEDSA-N 366.461 3.699 0 40 FHAB CCOC(=O)c1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1 32714292 PLSFFYOTUUSJBD-UHFFFAOYSA-N 353.418 3.550 0 40 FHAB Cc1cccc(C(=O)N[C@H](C(=O)N2CCC[C@H](C(F)(F)F)C2)C(C)C)c1 32721296 ZJHHXACZILTJCW-HOTGVXAUSA-N 370.415 3.550 0 40 FHAB CC(C)[C@H](C(=O)N1CCN(c2ccccc2)CC1)n1cnc2ccccc21 32932491 XKGMGGDDPWYJQA-OAQYLSRUSA-N 362.477 3.582 0 40 FHAB O=C(O)c1ccc(/C=C2\N=C(S)N(c3ccccc3Cl)C2=O)cc1 34890365 HXMXUCBRSMJZDW-LCYFTJDESA-N 358.806 3.712 0 40 FHAB COc1ccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)cc1OC(F)F 40120458 ICOQALSAVCXZQN-QGZVFWFLSA-N 363.360 3.510 0 40 FHAB COCCCC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 40132227 WMCRNSZAVKIWPX-UHFFFAOYSA-N 369.284 3.862 0 40 FHAB CCCCc1nnc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)s1 40158606 AKWRWNNBEPEECV-MRXNPFEDSA-N 358.511 3.731 0 40 FHAB Cc1cc(C)c(NC(=O)C(=O)NCc2ccccc2OC(C)C)c(C)c1 42646588 LPDMXXCEJGIDRX-UHFFFAOYSA-N 354.450 3.654 0 40 FHAB O=C(Nc1cccc(C(=O)N2CCC[C@H]2c2ccsc2)c1)[C@@H]1CCCO1 48249364 GXPRVSFFOYTRPZ-ROUUACIJSA-N 370.474 3.843 0 40 FHAB O=C(NC1CCN(C(=O)C2CC2)CC1)c1ccc(-c2ccccc2Cl)o1 48252365 ZUIHPLAUSVWTIF-UHFFFAOYSA-N 372.852 3.731 0 40 FHAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNC[C@H]1CCN(C2CC2)C1 48711590 HSBCNOKCIULSPZ-MRXNPFEDSA-N 358.917 3.716 0 40 FHAB COc1ccc([C@@H]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)cc1 49026508 RCSGSEKFFRLHQF-CYBMUJFWSA-N 369.845 3.666 0 40 FHAB CN(C(=O)CCC(=O)N1CCc2sccc2C1)[C@@H]1CCc2ccccc21 55114804 XESMKBMXWBNHIS-GOSISDBHSA-N 368.502 3.559 0 40 FHAB C[C@H](NC(=O)CC[C@@H]1CCCO1)c1cccc(OCc2ccccn2)c1 55647779 AJSLXDIITNNFIN-LPHOPBHVSA-N 354.450 3.797 0 40 FHAB O=C(O)[C@@H]1CC(=O)N(c2ccc3oc(-c4ccccc4Cl)nc3c2)C1 57327274 RZNIFIJBNPSEMS-SNVBAGLBSA-N 356.765 3.586 0 40 FHAB CC(C)(C)OC(=O)NC(C)(C)C(=O)Nc1ccc(Br)cc1 58054971 KOVPBSMVGYUEGN-UHFFFAOYSA-N 357.248 3.691 0 40 FHAB COc1ccccc1CNC(=O)N1CCC(Nc2ccccc2C)CC1 58156933 XUDLSFFCLVKUPV-UHFFFAOYSA-N 353.466 3.790 0 40 FHAB O=C(Nc1ccn(Cc2cccnc2)n1)Nc1ccccc1C(F)(F)F 58201120 KBBQGQZQOXBXFC-UHFFFAOYSA-N 361.327 3.989 0 40 FHAB CCc1nnsc1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 58209419 SMGSFADBNGVKQX-UHFFFAOYSA-N 358.448 3.667 0 40 FHAB CCOC(=O)C1CCN(C(=O)c2ccc(COc3ccccc3)cc2)CC1 58306395 CEHLGDPDBCQDRE-UHFFFAOYSA-N 367.445 3.681 0 40 FHAB CN(C)C(=O)[C@H](Sc1nc(CCC2CCCC2)n[nH]1)c1ccccc1 58381551 VIMKKSNUGYHLQF-QGZVFWFLSA-N 358.511 3.849 0 40 FHAB CN(Cc1ccccc1)C[C@@H](O)Cn1c(C(F)(F)F)nc2ccccc21 60343651 WIYHIGVTWYZILZ-OAHLLOKOSA-N 363.383 3.548 0 40 FHAB O=C(NCCc1ccccc1)Nc1ccccc1CN1CCSCC1 61789756 AUFREZNJBJTFMA-UHFFFAOYSA-N 355.507 3.600 0 40 FHAB CN1CCN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)Cc2ccccc21 68858216 KXHXWGTXOHGVAT-UHFFFAOYSA-N 352.482 3.608 0 40 FHAB O=C1c2ccccc2C(=O)N1CCSc1nc2cc(Cl)ccc2o1 69607267 BFABWBWJENMOGB-UHFFFAOYSA-N 358.806 3.870 0 40 FHAB CCCn1ncc(CN2C[C@H]3CCC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)c1C 72340444 WQBSKAJHYXKTIA-YHYVQYDKSA-N 371.500 3.860 0 40 FHAB Cc1cc(Cc2ccccc2F)cc([C@@H]2CCCN(C(=O)C(C)(C)O)C2)n1 72354146 LDMTXRLWSGGHJO-GOSISDBHSA-N 370.468 3.597 0 40 FHAB O=C(c1cccnc1)N1CCC(c2nccnc2Oc2ccccc2)CC1 72362077 CQSJWGWSBLXUBP-UHFFFAOYSA-N 360.417 3.684 0 40 FHAB C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)COc1ccc(Oc2ccccc2)cc1 76021853 GBSOZZTXUXRUSH-UWJYYQICSA-N 368.477 3.656 0 40 FHAB CCc1nnsc1C(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 76176753 SQNMJJGHSOFHAA-UHFFFAOYSA-N 357.479 3.620 0 40 FHAB CN(CC(=O)N1CCc2ccccc2C1)c1nc2c(Cl)cccc2s1 77196743 QGYNOKJEUZGPBD-UHFFFAOYSA-N 371.893 3.971 0 40 FHAB Cn1cccc1[C@H]1CCCN1C(=O)NCc1cccnc1OC1CCCC1 79190533 YXCXKJQBBJOZAU-LJQANCHMSA-N 368.481 3.788 0 40 FHAB Cc1nccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)n1 79589019 FPRFEALTEDSNJE-UHFFFAOYSA-N 350.344 3.656 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2ccccc2-n2nc(C)nc2C)cc1F 84280425 ALEIEPFSZRZPQM-PKNBQFBNSA-N 366.396 3.684 0 40 FHAB C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Cc1ccc(N2CCCC2=O)cc1 84647447 PTXVTVFTAWBKDB-AWEZNQCLSA-N 372.415 3.854 0 40 FHAB CCc1nc(N)sc1-c1nc(-c2ccc(Br)cc2)no1 89263141 IFGLJGALMBDFEK-UHFFFAOYSA-N 351.229 3.767 0 40 FHAB Cc1cc(F)ccc1NS(=O)(=O)c1ccc(Br)c(F)c1 95067911 DCJKLHDLEIAYDS-UHFFFAOYSA-N 362.195 3.837 0 40 FHAB COc1ccc(CN(C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(OC)c1 95457008 WTEDKEBKTKQMJS-MRXNPFEDSA-N 364.486 3.535 0 40 FHAB COC(=O)CCCN1CCC(N[C@H]2CCCC[C@H]2Cc2ccccc2)CC1 95986443 NKLNROKCUHYQHU-UNMCSNQZSA-N 372.553 3.795 0 40 FHAB Cn1ccc(-c2cc(C(=O)NCc3ccc(F)c(F)c3)c3ccccn23)n1 96037913 IRURIHQULIOIRR-UHFFFAOYSA-N 366.371 3.548 0 40 FHAB CSc1ccc([C@@H](O)CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 96103313 YBDULPPTGKTGOZ-ITOSSNOYSA-N 360.523 3.710 0 40 FHAB O=S(=O)(NC1CCCC1)c1cc(Br)cc(C(F)(F)F)c1 98072982 MYTIFPLJVUXFFW-UHFFFAOYSA-N 372.206 3.689 0 40 FHAB CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)O)[C@@H]1c1ccc(OC)cc1 101291607 RXFHEIFPGNOEKV-VMDGZTHMSA-N 353.418 3.859 0 40 FHAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 102773152 DDACRAFZFQJGLH-ZNAOMFPMSA-N 367.445 3.534 0 40 FHAB CC[C@H](C(=O)N1CCC(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1)c1ccccc1 106175208 ROBVEPOQXGUZDO-BVPXEZJJSA-N 368.521 3.724 0 40 FHAB Cc1nc(N(C)[C@@H](C)C[S@@](C)=O)c2c(-c3ccccc3)csc2n1 108391706 GQLOOFBFBLBOJH-MCFWBGNESA-N 359.520 3.870 0 40 FHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)[nH]1 224592645 PDTKQXCIKXPEKF-RTBURBONSA-N 364.474 3.909 0 40 FHAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OC)c(C(=O)OCC)c1 225842162 AEDMDTNWVAXZAQ-IBGZPJMESA-N 351.443 3.796 0 40 FHAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccn2)S1 260774940 OGNBCUYUQFAZNC-MDASCCDHSA-N 361.474 3.857 0 40 FHAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(O)c(OC)c3)N21 260775011 OSKPFECEDJMMDV-BVGQSLNGSA-N 355.463 3.775 0 40 FHAB C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)N[C@H]1CCCc2occc21 287647428 RAFIUZLVKMFBAO-CJNGLKHVSA-N 369.469 3.693 0 40 FHAB C[C@H]1CCc2[nH]c3ccc(C(=O)N4CC[C@H](c5nccn5C)C4)cc3c2C1 328780929 MRSMQLAPZWGEIB-HOCLYGCPSA-N 362.477 3.656 0 40 FHAB O=C(NCc1nccnc1-c1ccco1)c1csc(-c2ccccc2)n1 390830660 MNKTXIGVZRABNC-UHFFFAOYSA-N 362.414 3.790 0 40 FHAB COc1ccc(-n2cccc2/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1 408954397 SVLSUHLVZJMSNC-ZHZULCJRSA-N 373.412 3.579 0 40 FHAB O=C(Cn1cnc2ccccc21)Nc1ccc(-c2cn3ccccc3n2)cc1 552018184 GQHPHJDYDFYFRX-UHFFFAOYSA-N 367.412 3.990 0 40 FHAB Cc1cc(-n2cccn2)ccc1NC(=O)N[C@@H]1CCCC12CCOCC2 585133927 JVMHHVAJSGNIAO-GOSISDBHSA-N 354.454 3.652 0 40 FHAB O=C(N[C@@H]1CCN(Cc2ccsc2)C1)c1cc(Br)cs1 618257650 ZKNVPVOXDICHIH-GFCCVEGCSA-N 371.325 3.576 0 40 FHAB CC1(C)C[C@]2(CCCN2C(=O)C2CCOCC2)CN1c1cccc(F)c1 1615129786 WQEQPAIZWBDFKL-OAQYLSRUSA-N 360.473 3.602 0 40 FHAB Cc1cnc(-c2ccccc2NC(=O)c2cnc(O)c(C(F)(F)F)c2)[nH]1 1635941290 PIUQZVQEXJSHAX-UHFFFAOYSA-N 362.311 3.757 0 40 FHAB Cc1cncc(N2CCC(CN(C)c3cc(C(F)(F)F)ccn3)CC2)n1 1888904100 PPZFBYRIDXCERT-UHFFFAOYSA-N 365.403 3.552 0 40 FHAB CC[C@@H](C(=O)N1CCC(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1)c1ccccc1 106175204 ROBVEPOQXGUZDO-XIGKFDRGSA-N 368.521 3.724 0 40 FHAB O=C(CSc1nnc2sc3ccccc3n12)N1CCCCCCC1 12533484 DXNOJIRDZFQOLV-UHFFFAOYSA-N 360.508 3.829 0 40 FHAB CC(C)COc1ccc(C(=O)O[C@H]2CC(C)(C)OC[C@@H]2CN(C)C)cc1 826071 SSALKHAQQLSWJX-HKUYNNGSSA-N 363.498 3.624 0 40 FHAB CCOC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccccc1 900632 CDBCPHKJBMRFHR-UHFFFAOYSA-N 353.447 3.649 0 40 FHAB COc1ccc(-c2ccc(SCC(=O)N3CCC[C@H](C)C3)nn2)cc1 1332297 GCLGNDAQUURQPS-AWEZNQCLSA-N 357.479 3.503 0 40 FHAB CC(C)NC(=O)CSc1nc(Cc2cccs2)nc2ccccc12 1342822 BBZZVTBSAXHVBU-UHFFFAOYSA-N 357.504 3.899 0 40 FHAB C[C@@]12CC[C@H]3c4ccc(OP(=O)(O)O)cc4CC[C@@H]3[C@@H]1CCC2=O 2046805 XYNRXDLLYXFCRS-NBOOPKSLSA-N 350.351 3.583 0 40 FHAB in-vitro Cc1c([C@H]2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)c2ccccc2n1C 1429544 SOKJAAQVAQRMMG-MRXNPFEDSA-N 372.424 3.780 0 40 FHAB COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc(OC)c1OC 1514367 ONVWUSUHIHLQTL-UHFFFAOYSA-N 372.446 3.556 0 40 FHAB COc1cc(CN[C@@H]2CCC[C@@H](C)[C@@H]2C)ccc1OCC(=O)N1CCCC1 107326531 XLTHLDILRPMXCA-ZIFCJYIRSA-N 374.525 3.611 0 40 FHAB CC1=C(C(=O)OC(C)C)[C@H](c2c(Cl)cccc2Cl)NC(=S)N1 6045291 FNFWUTFZMOWAGC-CYBMUJFWSA-N 359.278 3.738 0 40 FHAB CCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@@H]1c1cccc(O)c1 6747877 ULFKUZLPGDXQRL-FQEVSTJZSA-N 363.417 3.746 0 40 FHAB COc1cc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc(OC)c1 57412500 FCQVYYNWHHRXKB-UHFFFAOYSA-N 357.797 4.000 0 40 FHAB COCc1c(C(=O)NC[C@H](c2ccco2)N2CCCC2)oc2ccccc12 8343132 ZIGMVPRVLUQYBK-QGZVFWFLSA-N 368.433 3.739 0 40 FHAB CC1(C)CC[C@H](NC(=O)C2CCN(C(=O)C3CC3)CC2)c2ccccc21 58194950 SJUBONBGHLUOJQ-IBGZPJMESA-N 354.494 3.564 0 40 FHAB COc1ccccc1N1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1 27664628 OTDBDVRUMPILFV-UHFFFAOYSA-N 364.424 3.618 0 40 FHAB O=C(CCc1ccccc1O)NCc1ccc(Oc2cccnc2)c(F)c1 58203466 LYQULARTAOLPCJ-UHFFFAOYSA-N 366.392 3.968 0 40 FHAB CC(C)(C)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C(=S)Nc1ccccc1 100426883 UEOIRQOYPZKQQV-IAGOWNOFSA-N 359.539 3.931 0 40 FHAB Cc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)nn1C 9122117 KRJUCZURZRLZNA-UHFFFAOYSA-N 353.809 3.865 0 40 FHAB CCn1c(SCC(=O)Nc2ccccc2N2CCCC2)nnc1C1CC1 9367921 PPKGHVTZEDBJNB-UHFFFAOYSA-N 371.510 3.506 0 40 FHAB C[C@H](Oc1ccc(F)cc1)C(=O)NC1CCN(CC2CCCCC2)CC1 58406539 GCETYUBJPHPJHF-INIZCTEOSA-N 362.489 3.754 0 40 FHAB CC(C)c1ccc(S(=O)(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1 10668703 SJEBJUBRQSCLQJ-UHFFFAOYSA-N 372.490 3.637 0 40 FHAB Cc1cnc(C(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)cn1 58582637 IQXINRSOIZXTMM-UHFFFAOYSA-N 361.327 3.550 0 40 FHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2)N1c1nccs1 2253959 VHXHKBJDBDGPEJ-MRXNPFEDSA-N 360.394 3.999 0 40 FHAB Cc1ccc(Nc2nc(N)nc(CSC(=S)N3CCCCC3)n2)cc1 2232418 LIEBGXGLDXLZCH-UHFFFAOYSA-N 374.539 3.510 0 40 FHAB COc1cc(/C=C/C(=O)NC23CC4CC(CC(C4)C2)C3)cc2c1OCCO2 21887180 RMFOYTROUSKYSG-NSCUHMNNSA-N 369.461 3.565 0 40 FHAB CC(C)OC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc12 2342821 XNAXKNMUFDHNIY-UHFFFAOYSA-N 374.444 3.975 0 40 FHAB C[C@@H]1CCCN(c2ncc(-c3ccccc3F)c(-c3nccn3C)n2)C1 57775407 QSFKCSQGTCDWPI-CQSZACIVSA-N 351.429 3.920 0 40 FHAB COc1ccc(Cl)cc1C(=O)Nc1cccc(CN2CCCC2=O)c1 29286397 FOAGTILKIGAUPB-UHFFFAOYSA-N 358.825 3.723 0 40 FHAB COC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@@H](Cc2ccc(C)cc2)C1 60268522 MDYFKKPBYSSYBL-OALUTQOASA-N 360.498 3.547 0 40 FHAB Cc1cc(C)c(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c(Cl)c1 23053434 RDKJYTSYASKSKF-UHFFFAOYSA-N 367.836 3.814 0 40 FHAB CCOc1ccc(NC(=O)[C@H](C)Cn2nc(C(F)(F)F)cc2C)cc1 28238977 GOBMCDRODOKKGA-LLVKDONJSA-N 355.360 3.884 0 40 FHAB Cc1cnc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)s1 2629117 URDBYAMRXAYDQY-UHFFFAOYSA-N 361.430 3.952 0 40 FHAB aggregator CCCS(=O)(=O)NC[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 46704780 NBVMYWKHZCHGKS-GOSISDBHSA-N 372.490 3.638 0 40 FHAB C[C@@H](C(=O)Nc1ccc(Br)cc1)n1cc(Br)cn1 28304395 RGWDCUWCKQOKHA-QMMMGPOBSA-N 373.048 3.608 0 40 FHAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1ccc(Cl)c(Cl)c1 12762127 FWZQACAWAUYMBO-UHFFFAOYSA-N 368.245 3.564 0 40 FHAB Cc1ccc(N2C[C@@H](C(=O)N(C)Cc3c(F)cccc3Cl)CC2=O)cc1 3339681 MPVQOQNYBQKHEV-AWEZNQCLSA-N 374.843 3.799 0 40 FHAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N(C)Cc1cscn1 48302825 AAXZSKFHOZXHRK-NSHDSACASA-N 353.875 3.573 0 40 FHAB COc1ccc2cc(CNC(=O)[C@@H]3Oc4ccccc4O[C@@H]3C)ccc2c1 12845487 BKSDRAAOQZWXKM-SPLOXXLWSA-N 363.413 3.693 0 40 FHAB Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccccc3OC(F)F)c12 12827451 CWRRVSOWDUINOA-UHFFFAOYSA-N 373.359 3.940 0 40 FHAB CCCCS(=O)(=O)Nc1c(C)nn(Cc2cccc(Cl)c2)c1C 28303801 QJPIXRFAJQYPBD-UHFFFAOYSA-N 355.891 3.743 0 40 FHAB CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCc2ccccc21 12949936 JBHYKWGFAGIFOM-WOJBJXKFSA-N 366.461 3.741 0 40 FHAB Cc1ccc(C(=O)c2ccccc2C(=O)O[C@@H](C(N)=O)c2ccccc2)cc1 12935841 WAABGMPHDBPDDC-OAQYLSRUSA-N 373.408 3.609 0 40 FHAB CC(C)c1ccccc1OCC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 12998226 WIRFDKXHOCNMJJ-INIZCTEOSA-N 364.449 3.647 0 40 FHAB Cc1cccc(-c2nnc(S)n2CC(=O)N(C)[C@@H](C)c2ccccc2)c1 12916613 UYRPDPZCXKIJGX-HNNXBMFYSA-N 366.490 3.762 0 40 FHAB CCOc1ccccc1NC(=O)NCC(=O)Nc1ccc(Cl)cc1F 12930397 ZDBCJAZQJZHCNW-UHFFFAOYSA-N 365.792 3.638 0 40 FHAB COC[C@H](C)NC1=NN=C(c2ccc3c(c2)-c2ccccc2C3)CS1 6048052 WKFLZSNBECFPPP-ZDUSSCGKSA-N 351.475 3.689 0 40 FHAB COC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)Cc1ccccc1 5100671 HEBBOEWHUWIEJP-UHFFFAOYSA-N 354.431 3.881 0 40 FHAB COc1ccc([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)OC3)cc1 5203333 SWQXDNQBSNXJAE-INIZCTEOSA-N 369.804 3.680 0 40 FHAB C[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1nnc2ccccn12 14119853 HUMHXXYWUKLBBZ-VIFPVBQESA-N 350.209 3.919 0 40 FHAB CCOc1ncccc1C(=O)N(Cc1nnc(-c2ccccc2)o1)C(C)C 6586389 TWHPZMJPGPWBMW-UHFFFAOYSA-N 366.421 3.581 0 40 FHAB COc1ccccc1[C@@H](C)NS(=O)(=O)c1cc(C(C)C)ccc1OC 20030034 DCLPPCGPMDVFJZ-CQSZACIVSA-N 363.479 3.867 0 40 FHAB Cc1sc2ncnc(SCc3nc4ccsc4c(=O)[nH]3)c2c1C 6618885 KHOMZSFLYXNPRF-UHFFFAOYSA-N 360.489 3.898 0 40 FHAB COc1ccccc1NC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C 14898330 VMTPGFKTSVWQIG-UHFFFAOYSA-N 362.389 3.798 0 40 FHAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)NCc1n[nH]c(=S)n1C(C)C 66639382 QFFUYTBMIXCKBV-CQSZACIVSA-N 374.510 3.657 0 40 FHAB Cc1cccc2nc(C(=O)O[C@@H](C)C(=O)Nc3ccc4ccccc4c3)cn12 21371156 HKOOFWHJYZZJAL-HNNXBMFYSA-N 373.412 3.980 0 40 FHAB CCOC(=O)c1sc2cccc(F)c2c1CSc1nnc(N)s1 6841446 LOAWMVIUGAPCLT-UHFFFAOYSA-N 369.468 3.943 0 40 FHAB Cc1cc([C@H](C)NC(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c(C)s1 84081861 NXCDOROBXZCWCC-NFAWXSAZSA-N 373.522 3.865 0 40 FHAB Cc1cccc(OCC(=O)Nc2n[nH]c(SCc3ccccc3)n2)c1C 9544583 YFZJYOAZDLEHFM-UHFFFAOYSA-N 368.462 3.731 0 40 FHAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1 16125237 NGTVUZBHFKBHPC-UHFFFAOYSA-N 369.389 3.723 0 40 FHAB CN(CCOc1ccccc1F)C(=O)/C=C/c1c(Cl)nc2ccccn12 16112738 LUXXKJKJKXNKQB-MDZDMXLPSA-N 373.815 3.677 0 40 FHAB COc1ccccc1CNC(=O)c1ccc(OCc2csc(C)n2)cc1 7921149 ZPKNJDGVXMONSA-UHFFFAOYSA-N 368.458 3.969 0 40 FHAB Cc1cc(C)c2c(-c3ccccc3)nc(SCc3nnc(C)o3)n2n1 8131002 QYTXVYSGWSNTRY-UHFFFAOYSA-N 351.435 3.997 0 40 FHAB Cc1nn(-c2ccc(F)cc2)c(C)c1CNCCOc1ccccc1F 8328502 DNZDUHYKNPQQHD-UHFFFAOYSA-N 357.404 3.936 0 40 FHAB CC(C)Cn1c(S)nnc1-c1cc(C2CC2)nc2c1c(C1CC1)nn2C 17075646 ZIMNOMGEUBNOSZ-UHFFFAOYSA-N 368.510 3.926 0 40 FHAB O=c1c2cnc(N3CCCC3)nc2ccn1-c1cc(Cl)cc(Cl)c1 19959502 BTNBUHDRKZCWOY-UHFFFAOYSA-N 361.232 3.688 0 40 FHAB CCN1CCN(Cc2c(NC(=O)c3ccccc3)sc(C)c2C)CC1 19938616 MTQMRZOTKJDZCO-UHFFFAOYSA-N 357.523 3.755 0 40 FHAB CCc1ccccc1NC(=O)CNC(=O)Cc1ccc(Cl)cc1Cl 8423420 DKCUZKWGUFVAFD-UHFFFAOYSA-N 365.260 3.853 0 40 FHAB CC(=O)c1cn(CC(=O)NCCn2ccc3ccccc32)c2ccccc12 70666495 LBEMCSTZWCGCBA-UHFFFAOYSA-N 359.429 3.615 0 40 FHAB biogenic O=C(Oc1ccc(Cl)cc1N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccco1 18241341 MMYJFVATTXNYHP-STQMWFEESA-N 371.776 3.608 0 40 FHAB Cc1cc(OCC(=O)N[C@H]2CCO[C@H]2C2CC2)c(C(C)C)cc1Cl 89570352 QGWXLRLJMXKNFI-LPHOPBHVSA-N 351.874 3.834 0 40 FHAB Cc1ccccc1C(=O)Nn1c(CCC(=O)O)ccc1-c1cccs1 408969709 SGUXPSXMTGRNNB-UHFFFAOYSA-N 354.431 3.926 0 40 FHAB C[C@@H]1CCC2=NN(C(=O)c3cccc(Cl)c3)[C@](O)(C(F)(F)F)[C@@H]2C1 409055422 BUIVTZFLZAJYPE-DDHOLCJHSA-N 360.763 3.839 0 40 FHAB CCOC(=O)c1cc(NC(=O)CSc2ccccc2N)ccc1Cl 408598756 AVQNQGZSCDTIGE-UHFFFAOYSA-N 364.854 3.830 0 40 FHAB O=C(c1cc(Cn2cccn2)on1)N1C[C@@H](c2ccccc2)c2ccccc21 508036689 FMHVYSMTACOOQM-IBGZPJMESA-N 370.412 3.712 0 40 FHAB Cc1ccc(-c2cnc3n2C2(CCN(Cc4ccccn4)CC2)COC3)cc1 306139032 SNOFFYPRJVKZMO-UHFFFAOYSA-N 374.488 3.775 0 40 FHAB O=C(CN1CCC[C@H](COCc2ccccc2)C1)Nc1ccc(F)cc1F 56908435 ZBRZHIOBZFOIQT-KRWDZBQOSA-N 374.431 3.832 0 40 FHAB CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc2c3c(cccc13)CC2 73092496 BAIRERFSBZHNNX-UHFFFAOYSA-N 366.442 3.562 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(NC3CCC3)nc2)cc1 72213847 OFVCZJRNJYJXCA-LJQANCHMSA-N 371.506 3.880 0 40 FHAB Cc1nccn1Cc1ccc(C(=O)NCCSc2ccccc2)cc1 38836591 VFBVNAVDKHVNCW-UHFFFAOYSA-N 351.475 3.762 0 40 FHAB O=C(O)[C@@H]1CCCN(c2cc(Nc3cccc(C(F)(F)F)c3)ncn2)C1 217361842 CFOJNIYICVGSIX-LLVKDONJSA-N 366.343 3.540 0 40 FHAB Cc1ccc(NC(=S)NCCc2ccccc2)cc1N1CCCC1=O 225282660 KSDKJLDFNSYQAK-UHFFFAOYSA-N 353.491 3.651 0 40 FHAB CCCC[C@H](CC)CNS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 225120305 SBUUIVLMVLOLGX-AWEZNQCLSA-N 372.556 3.862 0 40 FHAB CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CC 223407562 VOVJARCQPAGZAE-LJQANCHMSA-N 358.869 3.956 0 40 FHAB O=C(CCc1ccccc1F)NCc1nc(-c2ccccc2Cl)no1 223548187 GCPPPKZSKXDSCH-UHFFFAOYSA-N 359.788 3.778 0 40 FHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(c2ccccc2)CC1 223306572 UYHRZBLMGJSHCZ-GOSISDBHSA-N 364.489 3.682 0 40 FHAB COC(=O)c1cn(C(=O)C2(c3ccccc3)CCOCC2)c2ccccc12 222647340 NYURMNUMDDZHFX-UHFFFAOYSA-N 363.413 3.817 0 40 FHAB CC(C)[C@@H]1CN(Cc2csc(-c3cccc(C(=O)O)c3)n2)CCCO1 577510134 WKKDEPFQKGBCKR-KRWDZBQOSA-N 360.479 3.755 0 40 FHAB O=S(=O)(c1ccccc1)n1ccc2c(Br)cc(Cl)nc21 96321147 VIPRKGMFOJPUPF-UHFFFAOYSA-N 371.643 3.689 0 40 FHAB Cc1ccc(CN2CC[C@]3(C2)C(=O)N(CC2CC2)c2ccccc23)s1 96100326 WLYNLTSMGMRWLD-OAQYLSRUSA-N 352.503 3.957 0 40 FHAB C[C@H]1CN(C(=O)NC[C@@H]2CCOc3ccccc32)Cc2ccccc2O1 332980645 MJBFYSJSWHNXSF-HOTGVXAUSA-N 352.434 3.545 0 40 FHAB O=C(NCc1cccc(-c2nccs2)c1)c1cc(=O)c2ccccc2o1 85558415 GPPJZDGZUMCJSW-UHFFFAOYSA-N 362.410 3.847 0 40 FHAB Cc1ccnc([C@@H]2CCN(Cc3ccccc3OCc3ccccn3)C2)n1 257327208 XALYNQPNANNIGQ-LJQANCHMSA-N 360.461 3.749 0 40 FHAB C[C@]12CCCN(C(=O)c3ccnc(Cc4cccc(F)c4)c3)[C@@H]1CCCN2 257286898 PNOCUBAYKPPHBZ-IRLDBZIGSA-N 367.468 3.558 0 40 FHAB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCC4=C4CCC[C@@H]4[C@H]3C2=O)cc1 253489362 DZPGNKNDQDGSDR-IYWMVGAKSA-N 365.429 3.628 0 40 FHAB COc1ccc(CC(=O)NCCCN2c3ccccc3C[C@H]2C)cc1C 260837006 CKQHKCUMDSYMTB-QGZVFWFLSA-N 352.478 3.504 0 40 FHAB Cc1cc(CNC(=O)N2CCC(CCc3ccc(F)cc3F)CC2)on1 654412679 VWBVTWGFCIMSIX-UHFFFAOYSA-N 363.408 3.816 0 40 FHAB Cc1cc([C@H](C)NC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)c(C)o1 65487340 BPACFSQKWKUOFN-AWEZNQCLSA-N 370.449 3.968 0 40 FHAB O=C(NCc1ccnc(-c2ccncc2)c1)c1cc(-c2ccc(F)cc2)[nH]n1 575413822 QAWKMVSTZHWAFR-UHFFFAOYSA-N 373.391 3.603 0 40 FHAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CCC[C@H](C)C2)C3)cc1 585104808 SXELTGKCEFUTEE-PZJWPPBQSA-N 370.537 3.738 0 40 FHAB O=C(N[C@H]1CCSc2c(F)cccc21)C1=NO[C@@H](c2ccccc2)C1 84525314 YKHCVTFRCSDLPC-DOTOQJQBSA-N 356.422 3.996 0 40 FHAB CC1(C)C[C@@H]2CN(C(=O)c3cccnc3)CC[C@@H]2N1c1ccc(F)cc1 1615159139 NQDURQDMSPKJRF-APWZRJJASA-N 353.441 3.740 0 40 FHAB Cc1ccc(OC[C@H](O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 5588804 XBWMPTQDKCKYFQ-CYBMUJFWSA-N 350.340 3.803 0 40 FHAB Cc1cc(CNC(=O)COc2ncnc3ccccc23)c2[nH]c(C)c(C)c2c1 12203559 HUTNQCRHFVROEM-UHFFFAOYSA-N 374.444 3.732 0 40 FHAB COCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1cccc(C)c1C 13479870 OHYGJAXJLUEVOR-UHFFFAOYSA-N 364.445 3.633 0 40 FHAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccccc2C(=O)NC(C)C)c1 13684521 PRLDATKCWZDPRJ-UHFFFAOYSA-N 354.450 3.768 0 40 FHAB O=C(Nc1ccc2c(c1)CCC2)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 14233824 BCQUXRFIPIKOFB-OAHLLOKOSA-N 354.837 3.820 0 40 FHAB COc1ccccc1/C=C/C(=O)NCc1ccc(CN2CCCC2)cc1 15139968 WKISSRFVYGJXSB-OUKQBFOZSA-N 350.462 3.621 0 40 FHAB Fc1ccc(OCCc2cc([C@H]3CCCN3Cc3cccnc3)n[nH]2)cc1 19703680 YXJCARDMSBNPHP-OAQYLSRUSA-N 366.440 3.902 0 40 FHAB CCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C)s1 3203392 DMYDGEJUPQCKIR-UHFFFAOYSA-N 353.827 3.904 0 40 FHAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccc(F)cc2Cl)C1=O 5834172 SLYBOYWFHKSJJL-GOSISDBHSA-N 364.779 3.976 0 40 FHAB CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2ncnc3ccccc23)cc1 6608054 IREAJTVLQKFDGH-GFCCVEGCSA-N 351.431 3.952 0 40 FHAB Cc1cc(NC(=O)[C@H](C)N[C@H]2CCSc3ccc(Cl)cc32)no1 25217032 VTOZEWGSHHXBTO-GWCFXTLKSA-N 351.859 3.790 0 40 FHAB C[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc(Br)s1 7375123 HEDPORLSZSOERE-NSHDSACASA-N 374.325 3.810 0 40 FHAB Cc1cc(C)c2nc(NC(=O)c3ccc(S(C)(=O)=O)cc3)sc2c1 4517999 UONLQQIWUIHHEC-UHFFFAOYSA-N 360.460 3.569 0 40 FHAB COc1ccc2nc(N(CCN(C)C)C(=O)c3ccccc3C)sc2c1 5115095 SPLZZEHQIIGSNX-UHFFFAOYSA-N 369.490 3.822 0 40 FHAB OCCOCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 6423213 VMBSPMCLVRFFSF-UHFFFAOYSA-N 374.444 3.508 0 40 FHAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2)c1ccccc1F 13695407 SWNONSKQGRMGEA-UHFFFAOYSA-N 350.349 3.874 0 40 FHAB O=C(NC[C@H]1CCCN1c1nc2ccccc2o1)c1ccc2cc[nH]c2c1 206774033 MVEZRDGYSFFGTD-MRXNPFEDSA-N 360.417 3.708 0 40 FHAB COc1ccc(N(C(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 1050106 JGJVUWQXHQVMDV-UHFFFAOYSA-N 367.426 3.731 0 40 FHAB CCCCc1nnc(SCCCOc2c(C=O)cccc2OC)n1C 8731702 DPEYMIRZGOLEKD-UHFFFAOYSA-N 363.483 3.540 0 40 FHAB CC1(C)C(=O)O[C@@H](/C(Br)=C\c2ccccc2)C(C)(C)C1=O 5129253 FQRAJELPGROWBW-XSNHNAGMSA-N 351.240 3.969 0 40 FHAB CC(C)c1nc(CC(=O)N2CCCN(Cc3cccs3)CC2)cs1 40094084 IYTWLHOEJNIGNN-UHFFFAOYSA-N 363.552 3.605 0 40 FHAB COc1cccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c1 32817318 BIWPWZGTTCBRKN-UHFFFAOYSA-N 359.447 3.664 0 40 FHAB c1ccc2sc(C3CCN(c4cncc(-n5cccn5)n4)CC3)nc2c1 32936819 JKGKPRWWKTVYTQ-UHFFFAOYSA-N 362.462 3.656 0 40 FHAB O=C(NCC(F)(F)F)[C@H]1CCCN1C(=O)Nc1cccc2ccccc12 32935933 IABIRCLXSASNHX-OAHLLOKOSA-N 365.355 3.515 0 40 FHAB O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2cccc3cn[nH]c23)CC1 53555415 YXXYSQCKTNXGOR-UHFFFAOYSA-N 369.371 3.576 0 40 FHAB COc1ccc(CC(=O)OCc2cc(Cl)c3c(c2)OCCO3)cc1F 22613380 RRCORCPHFYIOJX-UHFFFAOYSA-N 366.772 3.545 0 40 FHAB O=C1C(=O)N(CN2CCC[C@H]2c2nc3ccccc3s2)c2ccccc21 23873406 HNSHDXNXZWEFRR-INIZCTEOSA-N 363.442 3.620 0 40 FHAB Cc1nn(Cc2cccc(C(=O)NCC(C)C)c2)c(C)c1Br 998051 LDLUOCZRBDBXGQ-UHFFFAOYSA-N 364.287 3.697 0 40 FHAB COc1cccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1OC 1326736 KUHPVROIEOMBSO-UHFFFAOYSA-N 365.433 3.600 0 40 FHAB COc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)Nc3ncnn32)cc1OC 2914183 FCVSYOCNNLEPOC-SJORKVTESA-N 350.422 3.750 0 40 FHAB O=S(=O)(Cc1ccccc1Cl)c1snnc1-c1ccccc1 3118871 IDMCNDQECGQGCB-UHFFFAOYSA-N 350.852 3.832 0 40 FHAB CC[C@H](C(=O)OCC(=O)Nc1ccccc1OC(F)F)c1ccccc1 3283954 DFPRSBMJXWDXDL-AWEZNQCLSA-N 363.360 3.964 0 40 FHAB COc1cccc(C(=O)O[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)c1OC 3385240 JKBBJZFCKUPYJF-OAHLLOKOSA-N 371.433 3.813 0 40 FHAB CCOc1ccc2nc(SCC(=O)Nc3cccc(C(C)=O)c3)[nH]c2c1 3398918 LSSJMCCEYXUBAE-UHFFFAOYSA-N 369.446 3.895 0 40 FHAB COc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccc(F)cc3)n2C)cc1 3417510 IAAZCENYSAEXMS-LBPRGKRZSA-N 371.437 3.993 0 40 FHAB COc1ccc(COC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1F 3551120 MCPPUSVRUFQJJE-UHFFFAOYSA-N 354.761 3.862 0 40 FHAB CCCCCCN[C@@H](CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)O 4280177 SMDDDWBTTWQOJR-AWEZNQCLSA-N 361.269 3.945 0 40 FHAB CCn1c(SCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)nnc1-c1ccco1 4516365 UAPNSWMYBYAONS-RDBSUJKOSA-N 362.499 3.591 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)Nc1nnc(CCc2ccccc2)s1 4696309 UKZGKUAEJVRXSO-CQSZACIVSA-N 353.447 3.729 0 40 FHAB COc1cccc(NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccco2)c1 4883350 FHNPRHRFEKDWLJ-AYHJJNSGSA-N 369.465 3.995 0 40 FHAB Cc1ccc(S(=O)(=O)c2nnn(-c3cc(Cl)ccc3C)c2C)cc1 5043224 PZFKZJGQMHSNOF-UHFFFAOYSA-N 361.854 3.679 0 40 FHAB CCOC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)c(C)c1 5356152 WFEKRHBZODKWAM-UHFFFAOYSA-N 368.462 3.601 0 40 FHAB C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)NCC1CCCCC1 5937893 NFYAYSJKLLHAKO-LLVKDONJSA-N 351.497 3.975 0 40 FHAB CCOC(=O)c1ccc2nc(NC(=O)c3ccc(C(C)=O)cc3)sc2c1 6327972 JUGQTIHTEATHLM-UHFFFAOYSA-N 368.414 3.928 0 40 FHAB C[C@H]1CCc2c(sc(NC(=O)C3(c4ccccc4)CC3)c2C(N)=O)C1 7987434 XIMWNRMSRQSDIN-LBPRGKRZSA-N 354.475 3.642 0 40 FHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc2ccccc2c1 8076631 MEHOSHSRUZYBGT-OAHLLOKOSA-N 360.413 3.983 0 40 FHAB CCN(C(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1)c1ccccc1C 8245757 PMJMPMAAQDWXRV-GOSISDBHSA-N 368.452 3.578 0 40 FHAB Cc1ccc(NC(=O)COc2ccc(C=O)cc2Br)c(C)c1 8369190 OZWMPINWHXJHAK-UHFFFAOYSA-N 362.223 3.896 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc(N3CCCC3)n2C2CC2)c1C 8726749 HEQKXLKHTOCIGY-UHFFFAOYSA-N 371.510 3.561 0 40 FHAB COc1ccc(-c2nc(CC(=O)N[C@@H](C)c3ccco3)cs2)cc1OC 8761884 IECDZZXGQSWAOF-LBPRGKRZSA-N 372.446 3.840 0 40 FHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccncc1)CC2 9217545 QSYVPCGXWREMLB-JOCHJYFZSA-N 374.440 3.887 0 40 FHAB CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccc(OC)cc1 9462291 CNUIIZLXXKVULJ-UHFFFAOYSA-N 364.445 3.898 0 40 FHAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(NC(=O)C2CC2)s1 9955456 RCIGSOJMPLLKGS-UHFFFAOYSA-N 366.345 3.670 0 40 FHAB Cc1ccc(-n2c(C)nnc2SCCOc2ccc(C#N)cc2)cc1 10093839 JHOFRBZFQUYJEC-UHFFFAOYSA-N 350.447 3.927 0 40 FHAB COc1cccc(CNCC2CCNCC2)c1OCc1ccc(C)cc1 10434747 SHXXQPUAOFEQOL-UHFFFAOYSA-N 354.494 3.672 0 40 FHAB Cc1nn(C)c(C)c1CC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 10517015 APLJEKSQDYQKRG-UHFFFAOYSA-N 365.462 3.594 0 40 FHAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(F)c(F)c1 11694360 LGZLYSHVSUWYOP-UHFFFAOYSA-N 361.323 3.941 0 40 FHAB Cc1nc2ccc(C(=O)NC[C@@H](c3ccc(F)cc3)N(C)C)cc2s1 12198437 URRGYKPVCTVHSS-KRWDZBQOSA-N 357.454 3.777 0 40 FHAB CCC(=O)c1ccc(OC[C@@H](O)Cn2cnc3cc(C)c(C)cc32)cc1 12551665 HARFAGZQUHIYRO-KRWDZBQOSA-N 352.434 3.686 0 40 FHAB Cc1cc(C)cc(C(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)c1 12792432 JNZJTLHBHXSVED-GASCZTMLSA-N 359.495 3.621 0 40 FHAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)NC1CCCCCC1 12873543 LHHFSSCVEPMZKV-UHFFFAOYSA-N 360.542 3.938 0 40 FHAB O=c1c2ccccc2ncn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 12938372 ZBSBHBFFDNNXTQ-UHFFFAOYSA-N 372.306 3.514 0 40 FHAB Cc1cccc(C)c1NC(=O)N1[C@H]2CC[C@@H]1CC(O)(c1cccnc1)C2 13150624 HQVADHZGIZLPKB-HTZLVSCSSA-N 351.450 3.745 0 40 FHAB Cc1ccc2[nH]c(SCC(=O)Nc3cc(C(=O)O)ccc3C)nc2c1 13345034 FJEDVAHYZCDIKX-UHFFFAOYSA-N 355.419 3.609 0 40 FHAB COc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)O[C@@H]1CC[C@@H](C)[C@@H](C)C1 13477775 IYZGWKKKLLAJOX-IZSNYMMISA-N 372.465 3.691 0 40 FHAB Cc1ccc(-c2noc(CN(C)CC(=O)Nc3ccccc3Cl)n2)cc1 14116802 YOTBXLXMUSRMFV-UHFFFAOYSA-N 370.840 3.769 0 40 FHAB CCCOc1c(Cl)cc(/C=C/C(=O)Nc2nncs2)cc1OC 14250418 YAONHHUEWJNWGL-SNAWJCMRSA-N 353.831 3.641 0 40 FHAB COc1ccc(CN(Cc2ccc3ccccc3n2)C[C@@H](C)O)cc1OC 19456001 PPPZPCFNJKUAEN-MRXNPFEDSA-N 366.461 3.635 0 40 FHAB Cc1ncc(CN2CC[C@H](c3cc(COc4ccccc4)[nH]n3)C2)s1 19704288 MBJNDXMGPFHYJO-HNNXBMFYSA-N 354.479 3.743 0 40 FHAB O=C(Nc1cccc(OC(F)F)c1)c1ncn(-c2ccc(Cl)cc2)n1 19910824 JENZUXPVPYVVAJ-UHFFFAOYSA-N 364.739 3.774 0 40 FHAB CCCCOC(=O)Cn1c(=N)n(Cc2ccccc2C)c2ccccc21 20058042 ONDLHVCNGXRIJG-UHFFFAOYSA-N 351.450 3.622 0 40 FHAB CCOc1ccc(Oc2ccccc2NC(=O)CNC(=O)C(C)(C)C)cc1 20929328 UATWDWDTLJENKJ-UHFFFAOYSA-N 370.449 3.978 0 40 FHAB Cc1ccc(NC(=O)[C@@H](C)NC[C@@H](c2ccco2)N2CCCCC2)cc1 22024972 QSXPFVVNUOPVTA-MJGOQNOKSA-N 355.482 3.732 0 40 FHAB CC[C@@H](Nc1ccc(NC(=O)c2ccco2)cc1)C(=O)Nc1cc(C)on1 22977433 GDJBLOSFVWMCHD-OAHLLOKOSA-N 368.393 3.658 0 40 FHAB Cc1ccc(SCCNS(=O)(=O)c2ccc(F)c(F)c2)cc1C 23864417 JSBPHKGFZMRPNS-UHFFFAOYSA-N 357.447 3.652 0 40 FHAB Cc1ccc(CNC(=O)[C@@H](NC(=O)Nc2ccccc2)C(C)C)cc1F 25366709 RLRGLHJJYVHKOI-SFHVURJKSA-N 357.429 3.597 0 40 FHAB CC(=O)c1ccc(-c2ccc(C(=O)NCCc3cn4ccccc4n3)o2)cc1 25528364 VKOVJCBCTGRIBA-UHFFFAOYSA-N 373.412 3.769 0 40 FHAB COc1ccc(CC(=O)NC[C@H](c2cccs2)N2CCCCC2)cc1 27747898 JGGGGOPNCBGYGC-GOSISDBHSA-N 358.507 3.643 0 40 FHAB COc1ccc(CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)cc1 27756131 DJKDYKBJCWZVSW-UHFFFAOYSA-N 357.793 3.693 0 40 FHAB CC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ncc(Cl)cc1Cl 27978291 SNHPTEPKAWZWEY-GFCCVEGCSA-N 369.204 3.913 0 40 FHAB CCCn1nccc1C(=O)Nc1cnn(Cc2cccc3ccccc23)c1 28306352 CXOMQDPNXBGUNY-UHFFFAOYSA-N 359.433 3.943 0 40 FHAB CC[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccc(Cl)cc1 28505734 RIDZSEYRNJFEES-PBHICJAKSA-N 360.841 3.549 0 40 FHAB Cc1nc(S[C@H](C)C(=O)NC(=O)Nc2ccccc2)n(CC(C)C)c1C 29445610 PBUBHQWENDQEHV-OAHLLOKOSA-N 374.510 3.985 0 40 FHAB Cc1cccc(OCCNC(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c1 31041777 PEKGXERXYFQDDA-FQEVSTJZSA-N 370.449 3.753 0 40 FHAB CCN(CC)[C@H](CNC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccsc1 31987889 NDNAJMQTAOCUPU-MRXNPFEDSA-N 361.511 3.709 0 40 FHAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C)o1 33004087 GMRXZEQXLHEECU-UHFFFAOYSA-N 355.419 3.784 0 40 FHAB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)[C@@H]1COCCO1 33160552 BOOXDOPBQRJPNS-QMMMGPOBSA-N 365.263 3.532 0 40 FHAB Cc1cc(C)n(-c2ccc(COC(=O)c3cc(Br)c[nH]3)cc2)n1 36759102 CWJVBSLOPHWQTN-UHFFFAOYSA-N 374.238 3.937 0 40 FHAB COc1cc(NC(=O)Nc2cccc(OC)c2OC)c2ncccc2c1 38679480 PGOPMDMINRNYRV-UHFFFAOYSA-N 353.378 3.905 0 40 FHAB CCc1ccc(-c2csc(NC(=O)CCn3c(C)csc3=O)n2)cc1 40023423 BBYCLZJFPXAFTB-UHFFFAOYSA-N 373.503 3.933 0 40 FHAB Cc1nc(-c2ccc(CC(=O)NCc3ccc4c(c3)OCO4)cc2)cs1 40073297 ZSUSWVULVSCCQM-UHFFFAOYSA-N 366.442 3.706 0 40 FHAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1NC(=O)N(C)C 40135186 CUAGVURFUOKWOZ-UHFFFAOYSA-N 361.829 3.759 0 40 FHAB CCOC(=O)[C@H]1CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1 41058326 GUSSEWPPOWDGTO-IBGZPJMESA-N 351.446 3.620 0 40 FHAB CCOC(=O)N[C@@H]1CCCN(C(=O)CCc2cccc(Cl)c2Cl)C1 48333532 CGRHVMGDRWTJCC-CYBMUJFWSA-N 373.280 3.663 0 40 FHAB CS[C@H](C)C(=O)N1CCc2[nH]c3c(Br)cccc3c2C1 49318191 AKFOCWPYAWODRM-SECBINFHSA-N 353.285 3.567 0 40 FHAB C[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1ccccc1Cl 50042310 IRALMSYLOQQTLN-CYBMUJFWSA-N 373.836 3.952 0 40 FHAB C[C@@H](Cn1cccn1)NC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl 52665754 GCTMCBBEPRHWTP-QWRGUYRKSA-N 358.294 3.875 0 40 FHAB CC(=O)N1CCc2cc(NC(=O)CN(C)c3cccc4ccccc34)ccc21 55020104 UHXLGKGGHZRXML-UHFFFAOYSA-N 373.456 3.824 0 40 FHAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)c2nc(N3CCCC3)ncc2Cl)o1 56457420 XDLBWJSUAKFTFT-TZMCWYRMSA-N 374.872 3.719 0 40 FHAB CCc1cccc(C)c1NC(=O)CN1CCN(c2ccccc2Cl)CC1 57364036 XFSBKIHISSSUOZ-UHFFFAOYSA-N 371.912 3.972 0 40 FHAB C[C@H](NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C)c1ccccc1Cl 58048043 QYCYAQCWQJSZGX-KGLIPLIRSA-N 371.868 3.755 0 40 FHAB Cn1cc(-c2nc(C(=O)N[C@]3(C)CCCc4ccccc43)cs2)cn1 58331306 YBCWWXNXERCQRV-LJQANCHMSA-N 352.463 3.525 0 40 FHAB Cc1nc(-c2ccco2)ccc1C(=O)N1C[C@H](N(C)C)Cc2ccccc21 67205693 BQCHHNCEWHHCHQ-QGZVFWFLSA-N 361.445 3.783 0 40 FHAB CCOc1ncccc1[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 72211878 WJOFQRCLDYBKOA-GOSISDBHSA-N 360.479 3.705 0 40 FHAB CCOc1ncc(C(=O)N[C@@H]2C[C@@H](OCC)C23CCCC3)cc1Cl 72303469 VMBOHZZDWXVSEU-HUUCEWRRSA-N 352.862 3.601 0 40 FHAB O=C(c1cscn1)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 72384074 BGSVPMBTUTXKEV-CQSZACIVSA-N 366.446 3.745 0 40 FHAB CC[C@@H](CC(=O)N1CCC[C@@H](c2n[nH]c(=S)n2C)C1)c1ccccc1 78621842 XRKKTEKVYDOBRX-GOEBONIOSA-N 358.511 3.768 0 40 FHAB Cc1ccc(C)c(OCC(=O)N(C[C@H](O)c2ccc(F)cc2)C2CC2)c1 79112045 WWHJIFYEOLQDIZ-IBGZPJMESA-N 357.425 3.546 0 40 FHAB CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OCc1ccccc1F 83292911 RUDQWCGZJHRXKX-YVLHZVERSA-N 372.421 3.942 0 40 FHAB COc1ccc(CNC(=O)N2CCC(CSc3ccccn3)CC2)cc1 85557656 WJSGOFRPWGRQSC-UHFFFAOYSA-N 371.506 3.804 0 40 FHAB Cc1ccc(CN2C[C@H](C(=O)Nc3cccc4ccc(O)cc34)CC2=O)cc1 95431487 BNWGSQAQWRIHMU-GOSISDBHSA-N 374.440 3.841 0 40 FHAB CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)c2cc(C)nn2C)cc1 95958872 VQMSAIVRGQEIJI-OAQYLSRUSA-N 362.477 3.938 0 40 FHAB O=C(c1cc(-c2ccco2)on1)N1CCC(Oc2ccc(Cl)cn2)CC1 96024889 ATPYPNYQIAQTBL-UHFFFAOYSA-N 373.796 3.667 0 40 FHAB COc1ccc(CN2CCC3(CC2)C[C@@H](N(C)Cc2ccco2)CO3)cc1 96048012 ITSNMXNCBYMEGF-LJQANCHMSA-N 370.493 3.544 0 40 FHAB O=C(CSC1CCCC1)NCC1CCN(Cc2ccsc2)CC1 96098349 JYLRIKMNTQXEAA-UHFFFAOYSA-N 352.569 3.752 0 40 FHAB CCCc1nc([C@H](NC(=O)N2CCC[C@H](C)CC2)c2ccccc2)no1 97229226 AMTHRYOGDBZZIX-MAUKXSAKSA-N 356.470 3.943 0 40 FHAB CCn1/c(=N/C(=O)c2cccc(OC)c2)sc2c(C)ccc(OC)c21 100908677 VSMKOCBHNFLYMV-VXPUYCOJSA-N 356.447 3.789 0 40 FHAB CC(C)c1ccc(NC(=O)c2ccc3c(=O)n(C)c(S)nc3c2)cc1 101977090 IXRGTWNEDKCXMZ-UHFFFAOYSA-N 353.447 3.598 0 40 FHAB CC(=O)Nc1ccc(F)c(C(=O)Nc2cnn(-c3ccccc3Cl)c2)c1 106670904 XMHNUIJAKZUTPP-UHFFFAOYSA-N 372.787 3.876 0 40 FHAB O=C(Nc1cccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)c1)[C@@H]1CCCO1 109013272 ITAMIXQWAPNZQD-LZQZEXGQSA-N 356.466 3.599 0 40 FHAB CC(=O)Nc1cccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 148114984 YLOGRTKLBOPFGR-UHFFFAOYSA-N 362.433 3.759 0 40 FHAB CCc1ccccc1O[C@H](C)C(=O)NCCCN1CCc2ccccc21 216320292 SNQVUMZWDMFNTE-QGZVFWFLSA-N 352.478 3.585 0 40 FHAB COc1ccc(CCCNC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1OC 219548326 LIFGDVZGCANBEA-KRWDZBQOSA-N 371.477 3.837 0 40 FHAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 222815227 GOSAOZXKNFDHQS-RTBURBONSA-N 363.490 3.648 0 40 FHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN(C)c1ccccc1 223322472 VIXWMMPCNLRSFQ-SFHVURJKSA-N 366.505 3.975 0 40 FHAB CCOc1ccc(S(=O)(=O)NCCOc2cccc3ccccc23)cc1 223525366 USHQRTUUJGXBBG-UHFFFAOYSA-N 371.458 3.596 0 40 FHAB COc1cccc(O[C@@H](C)C(=O)NCCOc2ccccc2C(C)C)c1 223789269 JRSAEFAXBDRUNF-INIZCTEOSA-N 357.450 3.781 0 40 FHAB CCc1ccc(OCCNC(=O)[C@@H](CC)Oc2ccc(OC)cc2)cc1 224158302 XFQULMJLQOMKLQ-HXUWFJFHSA-N 357.450 3.610 0 40 FHAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225056949 SSZUFBXHMBLAEN-INIZCTEOSA-N 356.447 3.705 0 40 FHAB COc1ccc(CNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1OC 225160287 YOTSUHDGEKRDBI-OAHLLOKOSA-N 369.461 3.666 0 40 FHAB CCCO[C@]1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCC[C@@H](C)C1 225662430 WDQAWAHBXDEBPP-DYESRHJHSA-N 362.514 3.941 0 40 FHAB CCCOc1ccc(NC(=O)C2(OCC)CCCCC2)cc1C(=O)OC 225829536 DCXFRRRTNNNCLY-UHFFFAOYSA-N 363.454 3.940 0 40 FHAB O=C(O)[C@@H]1[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242547811 KTOWDRUKIHSHEU-RRFJBIMHSA-N 371.241 3.634 0 40 FHAB CCCCc1cc(C(=O)N2C[C@H]3[C@@H](Oc4ccccc4)CC[C@H]3C2)[nH]n1 257253087 JXMZZNNCAQLQFD-CVAIRZPRSA-N 353.466 3.682 0 40 FHAB COc1cc2c(cc1S(=O)(=O)N1c3ccccc3C[C@H]1C)CCCC2 260808267 IHSWGWDRVNKWMN-CQSZACIVSA-N 357.475 3.714 0 40 FHAB CC(C)CN1c2ccccc2C2(CCN(Cc3ccco3)CC2)S1(=O)=O 306133240 MGIUGGFSJUMVHB-UHFFFAOYSA-N 374.506 3.577 0 40 FHAB Cc1cccc(NC(=O)CNC(=O)c2ccc(COc3ccccc3)o2)c1 408563389 VPIOMGZCQBSUKI-UHFFFAOYSA-N 364.401 3.536 0 40 FHAB CCc1ccc(N2C[C@@H](C(=O)NC[C@H](C)c3ccccc3)CC2=O)cc1 408707992 MWWJTQLFJNQNNW-LPHOPBHVSA-N 350.462 3.522 0 40 FHAB CCCOC(=O)c1ccc(/C=C2\N=C(c3ccc(OC)cc3)OC2=O)cc1 408729956 FMQBVFZRVMOEOS-AQTBWJFISA-N 365.385 3.607 0 40 FHAB C[C@H](c1ccccc1)N(C)C(=O)CN1CC=C(c2c[nH]c3ncccc23)CC1 533342510 LZYWVJNCSXJILP-QGZVFWFLSA-N 374.488 3.872 0 40 FHAB CCN1CCCCN(C(C)=O)[C@@H](CC(C)C)COc2ccccc2C1=O 643582746 MFWYPIGOIUNWLW-SFHVURJKSA-N 360.498 3.585 0 40 FHAB C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2ccc(F)c(C(N)=O)c2)C1 672633192 KPSYFOJYYDVZJV-FZKQIMNGSA-N 355.413 3.930 0 40 FHAB c1ccc2[nH]c(N3CCC(COc4cc5c(nn4)CCCC5)CC3)nc2c1 1565523671 XATHIPZZVFYZGL-UHFFFAOYSA-N 363.465 3.527 0 40 FHAB Cc1ncnc(N2CCC[C@@H](COc3ncccc3C(F)(F)F)C2)c1C 1776001331 NJVVSNPWIQAOBA-CQSZACIVSA-N 366.387 3.803 0 40 FHAB O=c1c2ccc(F)cc2ncn1CC1CCN(Cc2ccc(F)cc2)CC1 1888962016 BIDNAXNBUAAMKD-UHFFFAOYSA-N 369.415 3.587 0 40 FHAB COc1ccc(NC(=O)[C@H](C)SCc2c(C)noc2C)cc1OC 24520392 QYLOUJNGBQWZLL-LBPRGKRZSA-N 350.440 3.569 0 40 FHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c1C 24695164 MKDADATUETVOMW-OAHLLOKOSA-N 365.433 3.995 0 40 FHAB C[C@H]1CCCCN1Cc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 644237 PZYQKUFPOIKOIJ-HNNXBMFYSA-N 351.425 3.899 0 40 FHAB COc1ccc(CSc2nnc(-c3ccc(OC)c(OC)c3)n2C)cc1 830391 SPPSLMAKDLKYHJ-UHFFFAOYSA-N 371.462 3.800 0 40 FHAB Cc1cc(Nc2ccc(N3CCOC[C@@H]3C)cc2)nc(-c2ccncc2)n1 78019943 UAKYVWWEDIZEBN-INIZCTEOSA-N 361.449 3.816 0 40 FHAB Cc1cc(C)n2nc(SCC(=O)Nc3ccc(C(C)C)cc3)nc2n1 1047564 VOQZYPXOKRQAGT-UHFFFAOYSA-N 355.467 3.595 0 40 FHAB Cc1nn(C)c(C)c1C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 24871781 LXENNIVEDRPHDZ-UHFFFAOYSA-N 353.397 3.898 0 40 FHAB Clc1ccccc1Cn1nnc2c(NCC3CCCCC3)ncnc21 1349181 SKIMSFAMJQLBQY-UHFFFAOYSA-N 356.861 3.915 0 40 FHAB O=C(NC1CCCCC1)N1CCN(c2nc(-c3ccccc3)cs2)CC1 1349508 XEHZGYNIGPCKHJ-UHFFFAOYSA-N 370.522 3.974 0 40 FHAB Cc1nc2n(CC(=O)c3ccc(Br)cc3)c3ccccc3n2n1 1418549 BANVZYIWJNSQFM-UHFFFAOYSA-N 369.222 3.638 0 40 FHAB Cc1cc(Cl)cc2c1NC(=O)[C@@]2(O)[C@@H](C)C(=O)c1ccc(Cl)cc1 1624381 PQRBZIDVWQNJIV-XTZNXHDOSA-N 364.228 3.961 0 40 FHAB CS(=O)(=O)c1cccc(NC(=O)C2(c3cccc(F)c3)CCCC2)c1 34872651 FOYFGQHQGGRXGG-UHFFFAOYSA-N 361.438 3.680 0 40 FHAB CCn1c2ccccc2c2cc(NC(=O)C(=O)Nc3cc(C)on3)ccc21 56243757 SERCVFVHHJJPOU-UHFFFAOYSA-N 362.389 3.688 0 40 FHAB C[C@@H](NC(=O)CCN1CCC(C(=O)c2ccccc2)CC1)c1ccccc1 25946782 ZZOZDTFMLJEJDL-GOSISDBHSA-N 364.489 3.849 0 40 FHAB c1ccc(CN(Cc2ccccc2)Cc2nnnn2-c2ccccc2)cc1 57292069 OCCFLFFAOQSRJA-UHFFFAOYSA-N 355.445 3.865 0 40 FHAB COc1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1 10543608 BOSIQTHFLPYPFK-OAHLLOKOSA-N 371.458 3.594 0 40 FHAB CCc1ccc(CN(Cc2cccnc2)C(=O)NCc2cccnc2)cc1 58062272 OIAWVEMCDFYVFR-UHFFFAOYSA-N 360.461 3.951 0 40 FHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CNc1ccccc1Cl 58014345 PRDFSINNOKMKMT-UHFFFAOYSA-N 368.868 3.655 0 40 FHAB O=C(CN1CCC[C@@H]1c1cccs1)N1CCc2[nH]c3ccccc3c2C1 26484884 UBGDJLFPFDASIJ-LJQANCHMSA-N 365.502 3.951 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2ncnc3ccccc23)cc1 3253927 LFPVSWHSFIHIPV-ZDUSSCGKSA-N 351.431 3.952 0 40 FHAB Cc1ncsc1C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl 58192346 GNTVVKJWYLHFHZ-UHFFFAOYSA-N 351.859 3.838 0 40 FHAB Cc1c(C(=O)N2CCN(c3nccs3)CC2)oc2ccc(Cl)cc12 10270139 GHIKFMSYMZIZIB-UHFFFAOYSA-N 361.854 3.814 0 40 FHAB O=C(Cc1ccc2ccccc2c1)NCc1ccccc1Cn1cccn1 10234859 NHTGFKWQHHKELX-UHFFFAOYSA-N 355.441 3.944 0 40 FHAB CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2)CC1 100750194 JRDPLIJOZOLNLR-MZKRTTBSSA-N 365.521 3.850 0 40 FHAB Cc1cnc(C)n1Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)o1 28047624 XMMVQEKTPREDJS-NSHDSACASA-N 370.478 3.975 0 40 FHAB COc1ccc(OC)c(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 10545740 CVEJQCRAAVBJJH-AWEZNQCLSA-N 365.433 3.600 0 40 FHAB CCNC(=O)Nc1cccc(NC(=O)c2cc(-c3ccccc3F)on2)c1 58429439 ZKVXLJITZZDNAD-UHFFFAOYSA-N 368.368 3.874 0 40 FHAB C[C@H]1CCCC[C@H]1OCCNCc1c(C(F)(F)F)nn(C)c1Cl 96006934 RDSJKCWLSCPGKM-CMPLNLGQSA-N 353.816 3.777 0 40 FHAB Cc1cc(C)c(/C(=C\C(=O)O)C[P@](=O)(O)CCc2ccccc2)c(O)c1 36366245 BZFUTYGZPVFJNR-ATVHPVEESA-N 374.373 3.990 0 40 FHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 22513040 DIBFEYJBEAVFAJ-MBOZVWFJSA-N 360.542 3.945 0 40 FHAB CCCCNC(=O)Nc1c(C(=O)OC)[nH]c2ccc(Br)cc12 2326380 JKZNNMDHALXSNT-UHFFFAOYSA-N 368.231 3.639 0 40 FHAB CCOc1cc(/C=C2/SC(=O)NC2=O)ccc1OCc1ccccc1 2308470 MRFDRKDSYGMQTL-GZTJUZNOSA-N 355.415 3.988 0 40 FHAB C[C@@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1cc(F)ccc1F 28912183 WWWVXPXHFGWZOC-GFCCVEGCSA-N 359.376 3.531 0 40 FHAB CCCOC(=O)c1c(N)n(CCCOC(C)C)c2nc3ccccc3nc12 2414367 PLRFGGDCFWQEHX-UHFFFAOYSA-N 370.453 3.549 0 40 FHAB O=C(Nc1ccccc1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 22606323 PKLJZUIKAMTSHW-UHFFFAOYSA-N 368.462 3.753 0 40 FHAB C[C@@H]1Oc2ccc(NC(=O)N3CCC[C@H]3c3ccsc3)cc2NC1=O 45985539 OGIZAEMHRPKLOP-NHYWBVRUSA-N 357.435 3.837 0 40 FHAB Brc1cccc(CSc2nnc(C3CCNCC3)o2)c1 11903979 IFUKHUZOBXDBAN-UHFFFAOYSA-N 354.273 3.591 0 40 FHAB COc1ccc(NC(=O)CCCOc2ccc(C(C)=O)cc2)cc1OC 2638724 UKEQDILINAMUHU-UHFFFAOYSA-N 357.406 3.704 0 40 FHAB Cc1cc(SCC(=O)Nc2nc(-c3ccccc3)cs2)nc(C)n1 12016969 XXJYOWVAFMARKE-UHFFFAOYSA-N 356.476 3.948 0 40 FHAB CC[C@H](C)[C@@H](C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 12752585 IBNGMHMDVQODHB-HNAYVOBHSA-N 374.506 3.705 0 40 FHAB Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1ccc(F)cc1F 12750090 FBYJRDGEUIHVMZ-UHFFFAOYSA-N 352.768 3.685 0 40 FHAB Cc1cc(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)no1 3379982 HKBHEHWWLUQUGY-UHFFFAOYSA-N 352.346 3.571 0 40 FHAB Cn1c(SC[C@H](O)c2ccc(F)c(F)c2)nnc1-c1cccs1 12824948 YLZMXLIXNLULFA-LBPRGKRZSA-N 353.419 3.648 0 40 FHAB C[C@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1ccc(Cl)c(Cl)c1 23075120 WLHMNNWEOGRRNN-MGPLVRAMSA-N 364.228 3.952 0 40 FHAB CC(=O)N(C)c1ccccc1C(=O)NCCSCc1ccc(C)cc1 12807783 PWTZOFQKFAMTAO-UHFFFAOYSA-N 356.491 3.641 0 40 FHAB CN(CC(=O)Nc1cccc(F)c1)Cc1ccccc1Br 12982444 XANWKWMETDIKAJ-UHFFFAOYSA-N 351.219 3.659 0 40 FHAB Cc1cc(C)cc(OCC(=O)Nc2nc(CN3CCCCC3)cs2)c1 12925453 ZLBHFVKBEKESNP-UHFFFAOYSA-N 359.495 3.763 0 40 FHAB COc1ccc(Cl)cc1-c1nnc2sc(-c3[nH]ncc3Cl)nn12 72404761 HWYMNBRIWSLBMA-UHFFFAOYSA-N 367.221 3.558 0 40 FHAB CC(C)n1cc(CC(=O)NCCc2nc3ccccc3[nH]2)c2ccccc21 96116710 RQQGFXPYTVHRKQ-UHFFFAOYSA-N 360.461 4.000 0 40 FHAB CCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccccc1OC 13618765 NBBDVBSRVBZKLK-UHFFFAOYSA-N 350.418 3.788 0 40 FHAB Cc1ccc(-n2cnnc2SCC(=O)N2[C@H](C)CCC[C@H]2C)c(C)c1 6106785 LBNLEOASFNVOBQ-HZPDHXFCSA-N 358.511 3.766 0 40 FHAB COC(=O)[C@@H](C)Oc1ccc2oc(=O)c(-c3ccc(OC)cc3)c(C)c2c1 4340658 OLYUAUREVWLVGG-CYBMUJFWSA-N 368.385 3.717 0 40 FHAB biogenic CCOc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccncc2)cc1 4329893 ACBOVCDNZJLCTJ-HXUWFJFHSA-N 362.433 3.919 0 40 FHAB COc1ccc(-c2nnc3sc(COc4ccc(F)cc4)nn23)cc1 5349123 FZOLBRKPILNFHI-UHFFFAOYSA-N 356.382 3.580 0 40 FHAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1nnc(CC(C)C)s1 24359825 CAMFWDYMFUXQOY-UHFFFAOYSA-N 362.480 3.943 0 40 FHAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc2c(C)cc(=O)oc2c1 14170407 DDWYBSFBXGCDKR-UHFFFAOYSA-N 374.396 3.557 0 40 FHAB CCOC(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1 14181714 YCARGAQXADXUPQ-UHFFFAOYSA-N 365.389 3.838 0 40 FHAB CCCn1c(SCC(=O)Nc2cccc(C)c2)nc2ccccc2c1=O 6432222 WCJMQQSKUHYOLR-UHFFFAOYSA-N 367.474 3.846 0 40 FHAB CCCn1nc(C(=O)N2CCc3sccc3[C@H]2C)c2ccccc2c1=O 14241256 QGENJDKFYSJELZ-CYBMUJFWSA-N 367.474 3.628 0 40 FHAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1Cl)c1ccco1 6583587 WTCBVCPVVYHMMC-KRWDZBQOSA-N 368.820 3.913 0 40 FHAB C[C@@H]1C(=O)N(CCOc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 21267911 CDTGGDCBEXEHDP-GFCCVEGCSA-N 362.788 3.715 0 40 FHAB CCN(C(=O)COC(=O)c1n[nH]c2ccccc12)c1cccc2ccccc12 5694998 CAVLBIKRQWFCFV-UHFFFAOYSA-N 373.412 3.926 0 40 FHAB C[C@H](Sc1nnc(-c2ccccc2)n1-c1ccccc1)C(=O)NC1CC1 6993465 CFIKRHDWAJVNQX-AWEZNQCLSA-N 364.474 3.694 0 40 FHAB C[C@H]1C[C@H](C)CN(C(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)C1 15434102 WOAJEAHNEXZLSY-GJZGRUSLSA-N 362.429 3.605 0 40 FHAB O=C(NC1CC1)[C@H](Oc1ccc(Br)cc1F)c1ccccc1 7142706 CEAJFUXSOSMVQB-MRXNPFEDSA-N 364.214 3.987 0 40 FHAB Cc1cc(NC(=O)NC[C@@H](c2ccco2)N(C)C)ccc1N1CCCC1 71850089 LGVLHIMYENRFMM-SFHVURJKSA-N 356.470 3.613 0 40 FHAB CCOc1cc2c(cc1/C=C/C(=O)NCc1ccccc1F)O[C@@H](C)C2 7754883 VZCGJMXOXJTRNH-VFNNOXKTSA-N 355.409 3.877 0 40 FHAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)cc1 7726632 OPPPOCMZEVEJLJ-UHFFFAOYSA-N 372.490 3.912 0 40 FHAB O=C(CCc1nc(-c2ccsc2)no1)N[C@H]1CCCc2ccccc21 7954298 QTGLULCVLBXOEI-INIZCTEOSA-N 353.447 3.925 0 40 FHAB CSc1ccc(NC(=O)c2ccc3c(c2)NC(=O)[C@H]2CCCN32)cc1 8163658 ZFZKRJCAOYNPFP-QGZVFWFLSA-N 353.447 3.582 0 40 FHAB Clc1ccccc1Cn1nc(Br)nc1Br 8296477 VZMTUHZERQICOP-UHFFFAOYSA-N 351.429 3.505 0 40 FHAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl 8756170 ZMORNOJZIUCPDW-UHFFFAOYSA-N 352.217 3.737 0 40 FHAB CC(C)N(CC(=O)NCCc1nc2ccccc2s1)Cc1ccccc1 96970087 CJSYMURBUXNCCI-UHFFFAOYSA-N 367.518 3.866 0 40 FHAB COc1ccc(CC(=O)Nc2cnn(Cc3ccccc3Cl)c2)cc1 27920691 BGBOZKGZFYDOOT-UHFFFAOYSA-N 355.825 3.775 0 40 FHAB Cn1ccnc1[C@H](NC(=O)Cc1c(F)cccc1Cl)c1ccccc1 9156637 HNQVHKGKMATYDH-GOSISDBHSA-N 357.816 3.661 0 40 FHAB CC(C)C[C@@H](CNC(=O)NCc1ccncc1)N[C@@H](C)c1ccccc1 72289616 XCKBBVGNAKUILG-PXNSSMCTSA-N 354.498 3.646 0 40 FHAB O=C(O)CCCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 95442905 KGTXXHJSNPIYPS-UHFFFAOYSA-N 373.474 3.774 0 40 FHAB CCOc1cc(CNc2cc(-c3cccs3)nn2CCO)ccc1OC 84805073 NCLIGWUPXQMPHX-UHFFFAOYSA-N 373.478 3.623 0 40 FHAB CC(C)Cn1ncc(NC(=O)c2ccc(-n3cccn3)cc2)c1C(F)F 89856654 DUPXGLNFQIDKJC-UHFFFAOYSA-N 359.380 3.915 0 40 FHAB CCc1cccc(NC(=O)CNc2ccc(C)c(N3CCOC3=O)c2)c1 76092662 LYHXWBPXBJWJBZ-UHFFFAOYSA-N 353.422 3.565 0 40 FHAB Cc1ccc(Sc2ccc(NC(=O)c3ccc(=O)n(C)n3)cc2)c(C)c1 21050814 NCFSFXJPROZRAW-UHFFFAOYSA-N 365.458 3.801 0 40 FHAB Cc1ccccc1-n1nccc1CN=c1[nH]cc(C2CCOCC2)s1 517509945 LCSBINUOFDVMEJ-UHFFFAOYSA-N 354.479 3.565 0 40 FHAB CN1CCCC[C@H](C2CCN(C(=O)CCCc3ccc(F)cc3)CC2)C1=O 72372011 AUISGQZRBNAAFF-HXUWFJFHSA-N 374.500 3.646 0 40 FHAB O=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccc2c(c1)CCN2 78403728 URPWNDYLZNRVHV-UHFFFAOYSA-N 364.470 3.723 0 40 FHAB CCOC(=O)c1cc(NC(=O)[C@](C)(OC)C2CC2)ccc1O[C@@H](C)CC 225812310 FYUXEAINONANOO-RNODOKPDSA-N 363.454 3.794 0 40 FHAB COc1ccc(C(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1Cl 224334243 MWILXDNRKDDEDY-UHFFFAOYSA-N 371.824 3.979 0 40 FHAB CCOC(=O)c1cccc(NC(=S)NCCCc2ccccc2OC)c1 225550922 LEWOYFWYSFARMG-UHFFFAOYSA-N 372.490 3.791 0 40 FHAB CCCOc1ccccc1CCCNC(=O)COc1cccc(OC)c1 222793111 WWHGSFLRYYFSRD-UHFFFAOYSA-N 357.450 3.612 0 40 FHAB COc1ccc(C2(NC(=S)Nc3ncccc3OC)CCCC2)cc1 225875303 LASNUJLMGQWMDO-UHFFFAOYSA-N 357.479 3.855 0 40 FHAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1 223785498 AFLJLEKWORBHCK-MOPGFXCFSA-N 364.474 3.986 0 40 FHAB CCC[C@H]1[C@@H]2C(=O)N(c3ccc(CC)cc3)C(=O)[C@H]2ON1c1ccccc1 85637434 KZVSHWCSDYFGSC-UFYCRDLUSA-N 364.445 3.728 0 40 FHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(F)cc1 224446337 BOYJUAFEVVQIBY-QGZVFWFLSA-N 351.805 3.832 0 40 FHAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC)c(C(=O)OC)c1 225824449 NOWVULDESTXOIN-IBGZPJMESA-N 351.443 3.796 0 40 FHAB FC(F)(F)c1ccc2c(c1)nc1n2[C@@H](CNCc2ccccc2)COC1 96112689 KJVDRPVNKZTTST-HNNXBMFYSA-N 361.367 3.916 0 40 FHAB biogenic,in-vitro Fc1ccc(CN2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)cc1 96051154 BYYHAUHQAKUCIF-LJQANCHMSA-N 361.411 3.958 0 40 FHAB COc1cccc(-c2nn(C(C)(C)C)cc2CN[C@@H](C)c2noc(C)n2)c1 585084720 ZPYNSEHRQITWRS-ZDUSSCGKSA-N 369.469 3.856 0 40 FHAB Cc1ccc(C(=O)N(C)[C@H](c2ccc(Cl)cc2)C2CCOCC2)nn1 585140103 IKNKYLIYSQMLHY-GOSISDBHSA-N 359.857 3.678 0 40 FHAB O=C(NC1CCC(NC(=O)Oc2ccccc2)CC1)Oc1ccccc1 255188898 MJRHUBOSNWONMM-UHFFFAOYSA-N 354.406 3.875 0 40 FHAB CCc1nnc(Nc2cccc([C@H]3CCCN(C(=O)C(C)C)C3)n2)s1 257302417 SCWOVJOBGZECGQ-ZDUSSCGKSA-N 359.499 3.601 0 40 FHAB CO[C@](C)(C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1)C1CC1 260812531 FJSULGHVPIXIBA-JTSKRJEESA-N 374.525 3.941 0 40 FHAB O=C(O)c1ccc(CN[C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)cc1 666575996 KPLKSQLCLOXQSC-BHDDXSALSA-N 364.489 3.775 0 40 FHAB C[C@H](NC(=O)C(=O)NCCc1ccc(-c2ccoc2)s1)c1ccccc1 390828257 APQZNNDRKPJACQ-AWEZNQCLSA-N 368.458 3.544 0 40 FHAB CCn1ccnc1NC(=O)C1(c2cccc(OC(F)(F)F)c2)CCC1 655148377 LIXLFPFRNQSFKZ-UHFFFAOYSA-N 353.344 3.862 0 40 FHAB FC(F)(F)c1cccnc1OC[C@H]1CCCN(Cc2ccncc2)C1 1775995706 FKQVJEDSFWDSPM-HNNXBMFYSA-N 351.372 3.786 0 40 FHAB Cc1cccc(OCCCCC(=O)N2CC[C@@H](CN3CCCCC3)C2)c1 76041847 ZPZKNFFSTWRPQG-FQEVSTJZSA-N 358.526 3.879 0 40 FHAB COc1ccc(CCC(=O)NCC2(c3ccsc3)CCOCC2)cc1 952989943 QIMVNZOCJGMWRF-UHFFFAOYSA-N 359.491 3.554 0 40 FHAB Cc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCC(C)C)cc1 5032038 FOIASPHHKGPKFN-MOSHPQCFSA-N 350.462 3.847 0 40 FHAB COCCCn1c(C)nnc1SCC(=O)Nc1cccc2ccccc12 5018119 LZVZXDDNXMDIOA-UHFFFAOYSA-N 370.478 3.507 0 40 FHAB COc1ccc(N[C@@H]2SC(=O)N(CCNc3ccc(C)cc3)C2=O)cc1 12113022 SFMHRUKCDXOSRL-QGZVFWFLSA-N 371.462 3.549 0 40 FHAB Cc1nc2ccc(C(=O)N[C@@H](C)c3nc(-c4cccnc4)no3)cc2s1 12202404 CXYQYRFBULGNRU-JTQLQIEISA-N 365.418 3.541 0 40 FHAB CC(C)n1cc(C(=O)N2[C@H]3CC[C@H](C3)[C@H]2COc2ccc(F)cc2)cn1 12220635 SIZLQLKLMQSUJX-DKSSEZFCSA-N 357.429 3.675 0 40 FHAB Cc1cccc(Nc2nc(CC(=O)N(C)CCN3CCCCC3)cs2)c1 12238152 XPPJCDFSTFOOPQ-UHFFFAOYSA-N 372.538 3.682 0 40 FHAB Cc1cc(Cl)ccc1OCCCC(=O)O[C@H](C(N)=O)c1ccccc1 14074740 XBZRTFYYDYTQAE-SFHVURJKSA-N 361.825 3.577 0 40 FHAB C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(N[C@@H](C)c2ccccc2)n1 19457416 VFZAXPOJJUJJBU-STQMWFEESA-N 357.845 3.597 0 40 FHAB O=C(O)CCC(=O)N1CCC[C@H]1c1ccc(Br)cc1Cl 630271092 DUSYZEDZCXDJOO-LBPRGKRZSA-N 360.635 3.631 0 40 FHAB COc1ccccc1NC(=O)CN(C)Cc1ccc(Br)cc1 7915554 ISKPYPKYXCKIQW-UHFFFAOYSA-N 363.255 3.528 0 40 FHAB O=C(CCc1nc2ccccc2[nH]1)NCc1csc(-c2ccccc2)n1 10893928 KLHVBHFMVYMMAF-UHFFFAOYSA-N 362.458 3.935 0 40 FHAB CCC(C)(C)C(=O)N1CCC[C@@H](N(C)c2ncccc2C(F)(F)F)C1 1889125076 BRSAYFJJZRBDEJ-CYBMUJFWSA-N 357.420 3.964 0 40 FHAB COc1ccc(F)cc1C(=O)Nc1c2c(nn1-c1ccccc1)CCC2 26122292 QOUVEBYSCMBHHB-UHFFFAOYSA-N 351.381 3.761 0 40 FHAB O=C(O)c1cc(NS(=O)(=O)c2ccc(Cl)s2)ccc1Cl 37642018 WUJYGZYXMPFMQU-UHFFFAOYSA-N 352.220 3.554 0 40 FHAB Cc1ccc(-n2ncc3c(=O)n(Cc4cc(C)ccc4C)cnc32)c(C)c1 4479294 BQZZWZHONWLMHJ-UHFFFAOYSA-N 358.445 3.864 0 40 FHAB CCc1cccc(-n2nnc(-c3nc(-c4ccccc4Cl)no3)c2N)c1 6868154 DTYGDDXZPIOIRH-UHFFFAOYSA-N 366.812 3.782 0 40 FHAB COc1ccc(SCC(=O)Nc2nc(-c3cccnc3)cs2)cc1 10219174 AISOWJQUKFBRQT-UHFFFAOYSA-N 357.460 3.945 0 40 FHAB O=C(NCCn1cc(-c2ccco2)cn1)Nc1cccc(C(F)(F)F)c1 575615722 UBOWATQGZCCDPY-UHFFFAOYSA-N 364.327 3.984 0 40 FHAB O=C(c1cc2ccccc2s1)N1CCN(c2ccc(C3CC3)nn2)CC1 575620886 UGVYAVWMPKITED-UHFFFAOYSA-N 364.474 3.531 0 40 FHAB Cc1ccc(N2CCC[C@H](C(=O)Nc3nc4c(C)cccc4s3)C2)nn1 585235282 VKEORNIGSUNFMY-AWEZNQCLSA-N 367.478 3.558 0 40 FHAB O=C(NCc1cncc(-c2ccsc2)c1)c1cncc(Br)c1 206946388 KXHKEIWNNYZFAJ-UHFFFAOYSA-N 374.263 3.898 0 40 FHAB CSCC[C@H](NC(=O)c1ccccc1Cl)c1nnc2ccccn12 20733680 OVHFGHUWWOPNCB-AWEZNQCLSA-N 360.870 3.607 0 40 FHAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)NC(C)C)cc3)n2)cc1 32579046 ZPQBQWWEBJWRNL-UHFFFAOYSA-N 351.406 3.615 0 40 FHAB Cc1cc2oc(C(=O)N3CCOc4ccccc43)cc(=O)c2cc1Cl 32624458 HZWBMURCVOTJNU-UHFFFAOYSA-N 355.777 3.794 0 40 FHAB C[C@H]1Sc2ccc(C(=O)N(C)[C@@H]3CCc4ccccc43)cc2NC1=O 32905625 QOJDHIFVRLBKCC-SJKOYZFVSA-N 352.459 3.879 0 40 FHAB C[C@]1(CCc2ccc(O)cc2)Nc2ccccc2C(=O)N1C[C@H]1CCCO1 52806757 RYEXBLDYCYLHPS-GCJKJVERSA-N 366.461 3.788 0 40 FHAB CCc1cc2c(COC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)cc(=O)oc2cc1O 103425556 WCKQZXBNVCHEBW-AEGPPILISA-N 356.418 3.931 0 40 FHAB CC(C)n1nc(C(=O)NC2(c3ccccc3)CCC2)c2ccccc2c1=O 53473068 VEINGBWJAGIIEJ-UHFFFAOYSA-N 361.445 3.787 0 40 FHAB Cc1ccc(OCC(=O)N[C@@H]2CCc3ccccc32)c(Br)c1 23080128 MGGZNDNWNHXALU-MRXNPFEDSA-N 360.251 3.940 0 40 FHAB O=C1C2=C(CCCC2)[C@H](N[C@@H]2CCCc3ccccc32)N1C[C@H]1CCCO1 23234436 PTPLPMIEMQNNNC-ZPMCFJSWSA-N 366.505 3.872 0 40 FHAB O=C(O)c1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 3186063 RXJZUNUPHJTJNO-UHFFFAOYSA-N 359.375 3.500 0 40 FHAB CCCC(=O)N1CCCC[C@H]1C(=O)NC[C@H](C)c1nc2ccccc2s1 78714093 SIQGPEGCIYNGQV-HOCLYGCPSA-N 373.522 3.697 0 40 FHAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CN1CCCC1 1036498 HQXVGJDIRQSZOW-UHFFFAOYSA-N 358.463 3.626 0 40 FHAB O=C1NCc2cccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)c21 12584401 XNJMBTXPSMQLLJ-UHFFFAOYSA-N 370.474 3.779 0 40 FHAB CCN1CCN(c2ccc(NC(=O)CCc3ccccc3)cc2C)CC1 12534473 FKGJNXZNBVBMAD-UHFFFAOYSA-N 351.494 3.708 0 40 FHAB Cc1ccc(C(=O)N(CC(=O)NC2CCCC2)c2ccccc2F)s1 1330227 LSRNWCWYAUGSDP-UHFFFAOYSA-N 360.454 3.901 0 40 FHAB Cc1ccc(CNC(=O)[C@H]2CCCN2C(=O)Nc2cccc(Cl)c2)cc1 1346912 JFRZEBSIHKBTIV-GOSISDBHSA-N 371.868 3.961 0 40 FHAB COCC(=O)N[C@@H](C)c1nc2ccccc2n1Cc1cc(C)ccc1C 2721348 MALNXEJLWKLXPA-INIZCTEOSA-N 351.450 3.525 0 40 FHAB CSc1nc2ccc(NC(=O)CCCNC(=O)C(C)(C)C)cc2s1 25435188 CTOKTSJNPOXAOT-UHFFFAOYSA-N 365.524 3.899 0 40 FHAB COc1ccc(NC(=O)c2cc(Br)c(OC)c(OC)c2)cc1 6646626 JWXHPLPUMOTQJZ-UHFFFAOYSA-N 366.211 3.727 0 40 FHAB CCc1cccc(C)c1NC(=S)NC(=O)c1c(OC)cccc1OC 6944430 XTNULWPKPSXGPU-UHFFFAOYSA-N 358.463 3.701 0 40 FHAB CN(C)C1(CNC(=O)C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)CCCCC1 7990104 VYVKAPQLOVROSA-CCZBSFLLSA-N 352.950 3.945 0 40 FHAB CC(C)(C)C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)Cc1cccs1 8763140 HLOFBCNDIPJVTA-UHFFFAOYSA-N 355.463 3.560 0 40 FHAB CCNC(=O)c1ccc(C)c(NC(=O)Cc2ccc(C(F)(F)F)cc2)c1 44690385 NNHUZVRIYDIELA-UHFFFAOYSA-N 364.367 3.945 0 40 FHAB C[C@@H](NC(=O)CSc1nnc(NCc2ccccc2)s1)c1ccco1 10092328 QSWPCNWDGMLLCG-GFCCVEGCSA-N 374.491 3.713 0 40 FHAB COc1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCC2)c1 27581720 AWOABZLSRKALFW-NRFANRHFSA-N 352.478 3.961 0 40 FHAB biogenic CCOC(=O)c1cccc(NC(=O)CSc2ccc(OC)cc2)c1C 20485210 WFHQMDPCHMROCP-UHFFFAOYSA-N 359.447 3.911 0 40 FHAB CC(=O)Nc1ccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)s1 10304190 NARFTFZASFZFBQ-LBPRGKRZSA-N 350.440 3.813 0 40 FHAB COC(=O)[C@](C)(NC(=O)c1cc2ccccc2o1)c1cc(F)ccc1F 58330742 VYSITJUZOCGEMD-LJQANCHMSA-N 359.328 3.529 0 40 FHAB C[C@@H](Cc1c(F)cccc1F)NC(=O)c1csc(-c2ccccn2)n1 58414607 BGWZAGFNCDEAPV-NSHDSACASA-N 359.401 3.844 0 40 FHAB Cc1ccc(-c2ccnc3nc(N4CCc5ccccc5C4)[nH]c(=O)c23)cc1 22606785 JETWMNGCRJHCTK-UHFFFAOYSA-N 368.440 3.856 0 40 FHAB CC(C)c1nc2sc3c(N4CCOCC4)ncnc3c2c2c1CCC2 2247663 XWRMDTLTTBMXIM-UHFFFAOYSA-N 354.479 3.688 0 40 FHAB CC(=O)N1CC[C@]2(C(=O)Nc3ccc(Oc4ccccc4)cc3)C[C@H]2C1 101427188 RMGXTMYEAJACAO-KKSFZXQISA-N 350.418 3.676 0 40 FHAB C[C@@H]1CN(C(=O)CSc2nc3cc(Cl)ccc3s2)C[C@@H](C)O1 3265432 DCGNDIXWDZIWKX-NXEZZACHSA-N 356.900 3.678 0 40 FHAB O=C(COC(=O)c1cc2ccccc2cc1O)NCCC1=CCCCC1 3275315 HHZUFGATRPLYMZ-UHFFFAOYSA-N 353.418 3.709 0 40 FHAB CCOC(=O)c1sc2nc(Cc3ccccc3Cl)[nH]c(=O)c2c1C 2641068 PZHHHGCNVSPTNV-UHFFFAOYSA-N 362.838 3.714 0 40 FHAB CC(=O)[C@@]1(C)[C@@H]2[C@H]3[C@H]4[C@@H]5[C@@H]6CC[C@@H](O[C@@H]7O[C@@H]8CC[C@H]2[C@H]8[C@H]3[C@@]75C)[C@@H]6[C@@H]41 104294574 RCDJTDHAGCPXDZ-XBJKYITLSA-N 354.490 3.516 0 40 FHAB Cc1ccc(N(CC(=O)O)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 113873540 ACJVXEAOYQSFGF-UHFFFAOYSA-N 374.245 3.582 0 40 FHAB Nc1nc2c(s1)[C@@H](c1cccc(OCc3ccc(F)cc3)c1)CC(=O)N2 12428849 QZZRFCKHYVUGSW-OAHLLOKOSA-N 369.421 3.918 0 40 FHAB Cc1cc(NC(=O)[C@@H](C)N2CCC(c3c[nH]c4ccccc34)CC2)on1 12763314 UNXXBHCQNGXLHU-CQSZACIVSA-N 352.438 3.671 0 40 FHAB O=C(NCc1nnc2n1CCCCC2)c1ccc(C2CCCCC2)cc1 12821949 ZKHKBCLCTQTJQB-UHFFFAOYSA-N 352.482 3.982 0 40 FHAB Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cs1 12852277 QQRAAJQOHNBDIS-UHFFFAOYSA-N 356.472 3.870 0 40 FHAB Cc1nnc(SCC(=O)NCc2ccccc2Cl)n1-c1ccccc1 3409896 VUJJENXWHFAMTA-UHFFFAOYSA-N 372.881 3.638 0 40 FHAB CCn1c(S[C@@H](C)C(=O)Nc2nccs2)nnc1-c1ccccc1C 9199745 NYNOHAWTUQVIHN-LBPRGKRZSA-N 373.507 3.849 0 40 FHAB CC[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(N)=O)CCCCC2 6048877 LRVHCHZXTNZIOK-HNNXBMFYSA-N 372.490 3.912 0 40 FHAB COc1cc(CNC[C@H]2CCCO2)ccc1OCc1ccc(Cl)nc1 5241987 DLUUWTKMGYQGRU-MRXNPFEDSA-N 362.857 3.591 0 40 FHAB CCCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(C)cc1)N2 5200882 UAOJUPQNGSNELW-DZGCQCFKSA-N 366.387 3.992 0 40 FHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCCC2=O)cc1 14167126 PHGWSVHQWCPSAS-CQSZACIVSA-N 372.852 3.551 0 40 FHAB C[C@H]1C[C@H](C)CN(C(=O)CSc2nnc(NC3CCCCC3)s2)C1 6566598 XDJMWVOGNXPGTH-STQMWFEESA-N 368.572 3.879 0 40 FHAB Cc1nc(Nc2nc(C)c3cccc(C)c3n2)[nH]c(=O)c1CCC(C)C 4702844 BGTIITOCEKTQMH-UHFFFAOYSA-N 351.454 3.971 0 40 FHAB O=C(COc1ccccc1)N1CCc2nc(-c3ccccc3)sc2C1 6758944 XTEUAEYIQHJLCO-UHFFFAOYSA-N 350.443 3.774 0 40 FHAB COc1ccc([C@@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)C2CC2)cc1 4816483 INYMLPOUUCUINX-PMACEKPBSA-N 374.444 3.764 0 40 FHAB Cc1ccc(-c2nnc(SCC(=O)NCCCc3ccccc3)[nH]2)cc1 5868650 OONPFVSUMOSSCT-UHFFFAOYSA-N 366.490 3.621 0 40 FHAB O=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)Nc1ccc2c(c1)OCO2 5897320 JSLPZLUQSMUVST-UHFFFAOYSA-N 371.433 3.504 0 40 FHAB O=C(COc1ccc(F)cc1Cl)Nc1cccc(N2CCCC2=O)c1 6988384 BGCJDHHFQQTHRR-UHFFFAOYSA-N 362.788 3.623 0 40 FHAB COc1ccc(NC(C)=O)cc1N[C@@H](C)C(=O)Nc1cccc(Cl)c1 7057889 LEEFCDKBGOAIQV-NSHDSACASA-N 361.829 3.746 0 40 FHAB CC(C)N(C(=O)c1nn(-c2ccc(F)cc2)ccc1=O)c1ccc(F)cc1 68093173 BKLWXAWWHSTFLS-UHFFFAOYSA-N 369.371 3.566 0 40 FHAB CC[C@H](O)c1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C 7548002 MAJMJEKGJLZZFA-IBGZPJMESA-N 351.450 3.921 0 40 FHAB C[C@H](Sc1nnc(-c2ccccc2F)[nH]1)c1nc2ccccc2c(=O)[nH]1 9837433 PVTOMVOUSUNADB-JTQLQIEISA-N 367.409 3.701 0 40 FHAB O=C(NC[C@H]1CCCO1)c1cc(-c2cccs2)nn1-c1ccccc1 8132182 DAYWOYYQWSEWAO-OAHLLOKOSA-N 353.447 3.510 0 40 FHAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccccc1OC1CCCC1 71805099 TZJIGFGKEWGCJO-BTYIYWSLSA-N 367.445 3.853 0 40 FHAB COc1cc(/C=C2/SC(=O)NC2=O)ccc1OCc1ccc(F)cc1 20228638 LBUZJPHDSSSZBL-CXUHLZMHSA-N 359.378 3.737 0 40 FHAB Cc1cnc(NC(=O)c2oc3ccccc3c2CSc2ncn[nH]2)s1 8775526 CUYNDANAKWRNAV-UHFFFAOYSA-N 371.447 3.860 0 40 FHAB COc1ccc2c(C)c(CC(=O)Nc3ccc4[nH]ccc4c3)c(=O)oc2c1 8879825 JVSWWQDCGJZVSS-UHFFFAOYSA-N 362.385 3.773 0 40 FHAB biogenic CCc1ccccc1NC(=O)C1(c2ccccc2)CCN(C(C)=O)CC1 8943554 VCEPMWMPLJOABE-UHFFFAOYSA-N 350.462 3.768 0 40 FHAB CC(=O)c1cccc(COC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)c1 95974521 PFUHZXOCPSAQTB-ZWKOTPCHSA-N 352.386 3.507 0 40 FHAB CN(C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)C1CCCCC1 20038070 GGANZJRDTFOOBH-UHFFFAOYSA-N 372.490 3.892 0 40 FHAB COC(=O)c1cn(CC(=O)N[C@H]2CCCc3ccccc32)c2ccccc12 21183004 SNMLYIOKHRDXQU-IBGZPJMESA-N 362.429 3.622 0 40 FHAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccn(C(C)C)n3)c12 36616346 XODZNIHNBVRFRY-UHFFFAOYSA-N 364.409 3.566 0 40 FHAB COc1ccc(CC(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 219272884 CGOAWKACQSSPGL-SFHVURJKSA-N 355.434 3.665 0 40 FHAB O=C(O)c1ccc2c(c1)[C@@]1(C[C@H]1c1cccc(Br)c1)C(=O)N2 217477284 HXIUGYSURBPMPU-SUMWQHHRSA-N 358.191 3.525 0 40 FHAB O=C(O)[C@H]1CC(=O)N(c2ccc3nc(-c4ccccc4Cl)oc3c2)C1 70461334 UZEOUNHXOCUMEN-JTQLQIEISA-N 356.765 3.586 0 40 FHAB Cc1cccc(O[C@H](C)C(=O)NCc2ccc(CN3CCCC3)cc2)c1C 33222356 GNNHVBUWGCBMHA-LJQANCHMSA-N 366.505 3.983 0 40 FHAB c1ccc(CCN2CCCC[C@H]2c2ccnc(Nc3ncccn3)n2)cc1 72377568 WHHJWVKXOVKZHJ-IBGZPJMESA-N 360.465 3.780 0 40 FHAB Cc1ccc(-c2nc(C)c(C(=O)N[C@@H]3CN(C)Cc4ccccc43)s2)o1 534542017 VZJYQWCRDQZACA-MRXNPFEDSA-N 367.474 3.936 0 40 FHAB CCOC(=O)c1ccc(C)c(NC(=O)CSc2ccc(OC)cc2)c1 216321311 OOIHUUDYKXVXTF-UHFFFAOYSA-N 359.447 3.911 0 40 FHAB Cc1cc(Oc2ccccc2)nc(C2CCN(C(=O)c3ccncc3)CC2)n1 72362133 DDMAZQTVIBOTGX-UHFFFAOYSA-N 374.444 3.992 0 40 FHAB C[C@H]1Cc2cccc3c(=O)c(C(=O)N[C@H](C)c4ccc(F)cc4)cn1c23 223097906 ICFFKGVBDPEMFZ-QWHCGFSZSA-N 350.393 3.749 0 40 FHAB CC[C@@H](NS(=O)(=O)Cc1ccccc1F)c1ccc(OC)c(C)c1 224297351 GDRSOZCJZFHGOI-QGZVFWFLSA-N 351.443 3.713 0 40 FHAB O=C(CCCc1ccccc1)Nc1ccc(S(=O)(=O)C(F)F)cc1 40129863 KHVITHZFFFUPJT-UHFFFAOYSA-N 353.390 3.644 0 40 FHAB COc1ccc(NC(=O)c2cnc(Cc3ccccc3)nc2C)c(OC)c1 225794226 BNSDWTAYIFWURJ-UHFFFAOYSA-N 363.417 3.645 0 40 FHAB Cc1ccc(C)c(OCCNC(=O)c2ccc(Cn3ccnc3C)cc2)c1 224050058 DPOFXRYEKZSNGW-UHFFFAOYSA-N 363.461 3.665 0 40 FHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCOc1ccc(Cl)cc1 224156598 ICEQEXRPWISDJZ-GOSISDBHSA-N 363.841 3.701 0 40 FHAB CCn1ncc2cc(C(=O)N3CCCCC[C@H]3c3cccn3C)c(C)nc21 575121665 SIMKPCFAKPNYJR-IBGZPJMESA-N 365.481 3.856 0 40 FHAB C[C@H]1CN(Cc2ccc(C(=O)N[C@@H]3CCc4ccccc43)cc2)C[C@H](C)O1 46435320 FHEZZRCEQVNWLE-PNLZDCPESA-N 364.489 3.713 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 224268790 BBNFTJUZFYPDKA-LJQANCHMSA-N 372.896 3.826 0 40 FHAB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(C)cc2)c(C)c1 224697512 QCMIIBKMFGTTHI-UHFFFAOYSA-N 361.463 3.695 0 40 FHAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F 224776675 ZQIPFNNLFPCCRL-KRWDZBQOSA-N 370.468 3.620 0 40 FHAB CC(C)[C@H](NC(=O)COc1cccc(N2CCCC2=O)c1)c1ccccc1 96402255 IKFBFTHGEXDLSL-QFIPXVFZSA-N 366.461 3.706 0 40 FHAB O=C(Nc1nc(CCc2c[nH]c3ccccc23)n[nH]1)c1cccc(Cl)c1 95472467 XDNDDVCVGGWDAW-UHFFFAOYSA-N 365.824 3.977 0 40 FHAB CCOC[C@H]1CCC2(CCN(Cc3ccc4ccccc4n3)CC2)N1C 96209197 BXIAGOPCYVHJNQ-HXUWFJFHSA-N 353.510 3.700 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)N1CCC(Oc2ncccc2Cl)CC1 96024797 XWDVSIVBAOJMNG-CQSZACIVSA-N 360.841 3.572 0 40 FHAB COC[C@@H]1CN(Cc2ccccn2)CC12CCN(Cc1ccsc1)CC2 247898025 VGJPISYSDZRTCU-IBGZPJMESA-N 371.550 3.504 0 40 FHAB Cc1cc(C(=O)NCc2cc(-c3cccs3)n(C3CCCC3)n2)no1 85471488 AGNRLTCSMFUPRL-UHFFFAOYSA-N 356.451 3.953 0 40 FHAB COc1ncccc1C(=O)N1CCC(Cc2cccc3cccnc23)CC1 257258580 KUQNKBUDYDGQIL-UHFFFAOYSA-N 361.445 3.733 0 40 FHAB Cn1ccc2cc([C@H](O)CNC(=O)c3ccccc3C(F)(F)F)ccc21 252486214 HJMDMTZDOIAPFL-QGZVFWFLSA-N 362.351 3.661 0 40 FHAB Cc1c(NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)noc1-c1ccccc1F 279025261 WDSABFGTYXNHET-ZDUSSCGKSA-N 369.400 3.924 0 40 FHAB COc1cccc2c1CN(C(=O)N[C@H](C)[C@@H]1Oc3ccccc3[C@H]1C)C2 623702749 GWMYMLPTPYNLHT-ARGWCVDVSA-N 352.434 3.674 0 40 FHAB Cc1nc2cc(NC(=O)N[C@@H](C[C@H]3CCCO3)C(F)(F)F)ccc2o1 654020173 RXEPKNKZMRZZTJ-RISCZKNCSA-N 357.332 3.758 0 40 FHAB C[C@@H](NC(=O)N1CCC[C@H]1Cn1cncn1)c1ccc(Cl)c(Cl)c1 602296567 HCZMWTMTWOYYSD-YPMHNXCESA-N 368.268 3.520 0 40 FHAB Brc1csc(-c2noc([C@H]3CCc4c[nH]nc4C3)n2)c1 608345617 IEOYPHQIPNMWOI-ZETCQYMHSA-N 351.229 3.556 0 40 FHAB CO[C@H](CNC(=O)c1ccc(Cn2cccn2)cc1)c1ccc(Cl)cc1 72296789 CHOCFKKXYCWENR-LJQANCHMSA-N 369.852 3.702 0 40 FHAB C[C@@H](CC(=O)O)CC(=O)N1CCC[C@H]1c1cccc(Br)c1 61836595 GAGDNJPNMJPFLX-RISCZKNCSA-N 354.244 3.614 0 40 FHAB COC1(CNC(=O)c2cc(-c3ccco3)on2)C2CC3CC(C2)CC1C3 96123853 UDKCGAGIKRVPHQ-UHFFFAOYSA-N 356.422 3.506 0 40 FHAB CN(C)c1cccc(C(=O)N2CCC(c3ccc4cccnc4n3)CC2)c1 655265349 PYECAMYSMABGEE-UHFFFAOYSA-N 360.461 3.716 0 40 FHAB CC(C)(C)c1cc(C(=O)N2CCC(c3ccc4cccnc4n3)CC2)[nH]n1 655266017 UQZYSNBPLXIDJA-UHFFFAOYSA-N 363.465 3.670 0 40 FHAB CC(C)Cn1c(CCCNC(=O)COc2ccccc2)nc2ccccc21 5235733 JPMHQTACOYAENC-UHFFFAOYSA-N 365.477 3.820 0 40 FHAB COc1cc(OC)c([C@H]2Nc3cc(Cl)ccc3C3=NCCN32)cc1OC 12188533 KHFHNYOSSMLERM-IBGZPJMESA-N 373.840 3.552 0 40 FHAB OC1(c2ccccc2F)CCN(Cc2ccccc2N2CCCC2)CC1 12240554 NLUXXNHWAXJNRN-UHFFFAOYSA-N 354.469 3.910 0 40 FHAB COc1ccc([C@H](CNC(=O)Nc2cccc(C)c2)N2CCCC2)cc1 13002511 IEBZREPNMAAYBO-FQEVSTJZSA-N 353.466 3.962 0 40 FHAB COC(=O)[C@@H](C)NC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc(C)cc1)(C3)C2 13146728 LLGCIOWMDCLFGV-WKUAPKQTSA-N 355.478 3.511 0 40 FHAB O=C(Nc1ccccc1Br)c1cccc(N2CCCC2=O)c1 18076887 JNARDSYPRLIVIL-UHFFFAOYSA-N 359.223 3.828 0 40 FHAB COc1ccc(OC)c(CN2CCO[C@H](c3cc4ccccc4cn3)C2)c1 19551623 YYHQDZATTFWYRI-QFIPXVFZSA-N 364.445 3.826 0 40 FHAB Cc1cccc2c(C(=O)N(C)CC3(C)COC3)cc(-c3ccccn3)nc12 19664266 BECQPIKTFZIPBN-UHFFFAOYSA-N 361.445 3.714 0 40 FHAB CC(=O)N1CC[C@@H]2[C@H]1CCCCN2Cc1cccc(OC2CCCC2)c1 19712551 FEDBAIIPQLVWBA-FGZHOGPDSA-N 356.510 3.983 0 40 FHAB COC(=O)[C@H]1CC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2C)C1 226318220 DNAHMCTXYOMVMQ-WMVQRKQLSA-N 367.489 3.989 0 40 FHAB Brc1cccc(Nc2ncnc3c2ncn3C[C@@H]2CCCO2)c1 1888913652 LVIXOPQQOBCZSQ-ZDUSSCGKSA-N 374.242 3.511 0 40 FHAB Cc1ccc2nc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1 1078887 SRUWDMPHHPSDFE-UHFFFAOYSA-N 365.414 3.510 0 40 FHAB O=C(CSc1nccn1-c1ccc(Cl)cc1)NCCc1ccccc1 2723709 XMIBGMLZWKXIQB-UHFFFAOYSA-N 371.893 3.977 0 40 FHAB CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Cl)s3)sc2c1 4263022 IPGZLVOKDZIOJC-UHFFFAOYSA-N 372.880 3.667 0 40 FHAB O=C(Nc1ccc(Cl)cc1)c1cccn(Cc2cccc(F)c2)c1=O 5268749 PNVJDJORSUPYMV-UHFFFAOYSA-N 356.784 3.941 0 40 FHAB COc1cccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)c1 5374095 RNSZQANCNJXQGD-UHFFFAOYSA-N 352.434 3.883 0 40 FHAB Cc1ccc(NC(=O)NC[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 9040158 HATXHJMNELWJJO-CQSZACIVSA-N 357.841 3.823 0 40 FHAB COc1ccc([C@@H]2c3cccn3CCN2C(=O)NC2CCCCC2)cc1 12344218 MJYPGGFAFWQHON-HXUWFJFHSA-N 353.466 3.944 0 40 FHAB CN1C(=O)Cc2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc21 16916354 ZAQNNUSUIMHVIG-UHFFFAOYSA-N 365.216 3.530 0 40 FHAB O=C(/C=C/c1cccs1)N1CCC[C@]2(CCCN2Cc2cccnc2)C1 2055785333 UDVQYTVHEYPFSP-CQQBXOTJSA-N 367.518 3.814 0 40 FHAB O=S(=O)(/C=C/c1ccccc1)Nc1ccc(Oc2ncccn2)cc1 40152635 WXTIALBMEAOJBC-SDNWHVSQSA-N 353.403 3.682 0 40 FHAB CCn1ccc2cc(NC(=O)Cc3csc(NC(=O)C(C)C)n3)ccc21 51385768 JZDGKQORVKEWMF-UHFFFAOYSA-N 370.478 3.893 0 40 FHAB CC[C@H](CNC(=O)c1cc(Br)ccc1Cl)N1CCCC1 32653736 RPAYFLLRASIJHS-GFCCVEGCSA-N 359.695 3.707 0 40 FHAB COc1cccc(O[C@H](C)C(=O)Nc2cccc(C(=O)OC(C)C)c2)c1 41285654 IBUNXTXFUBJZNI-CQSZACIVSA-N 357.406 3.666 0 40 FHAB O=C(NCc1nncn1-c1ccccc1)c1sccc1-c1ccccc1 32911466 KYUWZBWCOSLCKL-UHFFFAOYSA-N 360.442 3.926 0 40 FHAB COc1ccc(NC(=O)C(=O)N[C@H](CC(C)(C)C)c2ccccc2)cc1 41850690 TZFVERSARMENQA-GOSISDBHSA-N 354.450 3.927 0 40 FHAB Cc1cc(C)n2c(n1)nc(=S)n2CN(C)Cc1ccc(Cl)s1 23841024 OUZRUVJOZXHLFS-UHFFFAOYSA-N 353.904 3.682 0 40 FHAB COC(=O)c1ccccc1NC(=O)CSc1cccc2cccnc12 626324 VQEJUVIWQZHPCU-UHFFFAOYSA-N 352.415 3.752 0 40 FHAB COc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)Nc3ncnn32)cc1OC 803080 SWTOADYHIHGCBX-JKSUJKDBSA-N 354.385 3.581 0 40 FHAB CCOC(=O)Cn1cnc2sc(C)c(-c3ccc(C)c(C)c3)c2c1=O 812669 LMDWDMSBHFFDBA-UHFFFAOYSA-N 356.447 3.613 0 40 FHAB CCOc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3)C3CC3)cc2c1 1364852 GEMWALUVXARECH-UHFFFAOYSA-N 362.429 3.732 0 40 FHAB Cc1ccc(S(=O)(=O)N2CCN=C2SCc2ccccc2C)cc1 2711504 CKUMGSNHYUXVDK-UHFFFAOYSA-N 360.504 3.597 0 40 FHAB CCOc1ccccc1CN1CCC[C@@H](C(=O)N(C)Cc2ccccc2)C1 2734716 SXMVAVVUUHFGAG-OAQYLSRUSA-N 366.505 3.956 0 40 FHAB O=C(COC(=O)c1ccccc1Nc1ccccc1)NCc1cccs1 3246767 NYQSHTNYYMJGOV-UHFFFAOYSA-N 366.442 3.965 0 40 FHAB C[C@H](NCc1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)cc(Cl)c1 3280936 DIFYZYCTJSOFFO-JTQLQIEISA-N 367.232 3.839 0 40 FHAB CC(C)N(C(=O)CSc1nnc2c(Cl)cc(Cl)cn12)C(C)C 3404029 OWUSUZRNVJRMFH-UHFFFAOYSA-N 361.298 3.774 0 40 FHAB CN(CC(=O)Nc1cccc(F)c1)Cc1ccc(Br)cc1 3540507 LVFRZSSBKFQGBP-UHFFFAOYSA-N 351.219 3.659 0 40 FHAB Cc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1C 3562800 WCOJCZSPXGXQSX-UHFFFAOYSA-N 366.461 3.947 0 40 FHAB Cc1n[nH]c2c1[C@H](c1ccccn1)N(c1ccc(Br)cc1)C2=O 4040467 RIEHVCXMIBPWKU-INIZCTEOSA-N 369.222 3.625 0 40 FHAB CCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OCC 4071064 ZJPHPJNHDDYABW-SFHVURJKSA-N 360.454 3.837 0 40 FHAB CCOc1ccc(N(C(C)=O)[C@@H]2SC(=O)N(c3ccccc3)C2=O)cc1 4173943 YRKPGSGKJFDVQC-GOSISDBHSA-N 370.430 3.664 0 40 FHAB Cc1c(C)n2c(SCc3ccc(Cl)cc3Cl)nnc2[nH]c1=O 4250490 QWFLMRVGGHFWMO-UHFFFAOYSA-N 355.250 3.634 0 40 FHAB Cc1ccccc1Nc1nc(N2C[C@H](C)C[C@@H](C)C2)nc2c1cnn2C 4272758 RSROFVBUSAKTBP-ZIAGYGMSSA-N 350.470 3.898 0 40 FHAB CCc1ccc(Cn2nnc(C(=O)Nc3cc(Cl)ccc3C)c2N)cc1 4852437 AVABMOUTXLCFSY-UHFFFAOYSA-N 369.856 3.685 0 40 FHAB CCOC(=O)[C@H]1C(=O)C[C@@](O)(c2ccc(Cl)cc2)C[C@H]1c1ccccc1 4900986 DDDMZQZGOCQJOC-FBBABVLZSA-N 372.848 3.854 0 40 FHAB Cc1ccc(OCc2nnc(SCc3ccccc3C)n2N)c(C)c1 5321090 YNJLQIDWYZCYBG-UHFFFAOYSA-N 354.479 3.788 0 40 FHAB COc1ccc(-c2noc(CN(C)C(=O)c3ccc(C)c(Cl)c3)n2)cc1 5451012 CTXDADLVUYWDHI-UHFFFAOYSA-N 371.824 3.979 0 40 FHAB CCOC(=O)c1ccccc1NC(=O)COC(=O)[C@H](CC)c1ccccc1 5838810 WYFIVFYZOQXBFJ-MRXNPFEDSA-N 369.417 3.539 0 40 FHAB C[C@H]1CCCCN1C(=O)COc1ccc2c3c(c(=O)oc2c1)CCCCC3 5860618 ORHXVOVFAYSYED-HNNXBMFYSA-N 369.461 3.842 0 40 FHAB Cn1c(CN2CCCC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21 6166981 UESRREVHURKTRX-UHFFFAOYSA-N 352.413 3.561 0 40 FHAB CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 6378426 BQUFIAZVBNCJSX-MRXNPFEDSA-N 359.788 3.746 0 40 FHAB CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 6386313 ZDMKVULVOVGQBI-UHFFFAOYSA-N 361.854 3.815 0 40 FHAB CCCNC(=O)[C@@H](C)NC(=O)c1cc(-c2ccccc2)nc2ccccc12 6547049 KNHXTQYBQLGWDX-OAHLLOKOSA-N 361.445 3.546 0 40 FHAB C[C@H]1CCCN([C@@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)C1 6721028 OUNDQKWISRTBFZ-BTYIYWSLSA-N 370.880 3.764 0 40 FHAB COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)Nc1cccc(Cl)c1 7057891 LEEFCDKBGOAIQV-LLVKDONJSA-N 361.829 3.746 0 40 FHAB O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(c2ccccc2)CC1 7059318 WRPYDLZAZDNPGA-UHFFFAOYSA-N 371.289 3.504 0 40 FHAB O=C(CN1CCC[C@H]1c1nc2ccccc2s1)NCc1ccccc1F 7360097 RPSBNNDIICDVJO-KRWDZBQOSA-N 369.465 3.889 0 40 FHAB O=C(COC(=O)[C@H]1CC=CCC1)N[C@@H](c1ccccc1)c1cccs1 7468315 WCUQDDIHCLSRQZ-LPHOPBHVSA-N 355.459 3.853 0 40 FHAB O=C(NCc1ccccc1F)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 7755170 YTMUCYNSDBDLDE-QGZVFWFLSA-N 362.404 3.648 0 40 FHAB O=C(CCN1C(=O)COc2ccccc21)Nc1ccc(Cl)c(Cl)c1 7917050 UVFWPCUDTBTVPR-UHFFFAOYSA-N 365.216 3.748 0 40 FHAB O=C(O)c1cc2c(cc1NC(=O)c1c(F)cccc1Cl)OCCCO2 7975034 CQTGPIZTCKAKKF-UHFFFAOYSA-N 365.744 3.591 0 40 FHAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C)cc1 8041096 FYEMFHXZUKMNNJ-INIZCTEOSA-N 354.450 3.931 0 40 FHAB C[C@@H]1C[C@H](Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)C(=O)O1 8132378 QUWFNVSOTIDELG-BMIGLBTASA-N 354.435 3.557 0 40 FHAB CC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 8570318 CZKOGHNVSYLNJN-UHFFFAOYSA-N 352.434 3.962 0 40 FHAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(NC(=O)C2CC2)cc1 8924908 FQRZEFCCWNLSSU-UHFFFAOYSA-N 362.351 3.984 0 40 FHAB CC(=O)Nc1cc(C(=O)COC(=O)c2cccc3ccccc23)ccc1O 9479499 OXRSOAGWRQWKTR-UHFFFAOYSA-N 363.369 3.544 0 40 FHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1(c2ccccc2)CCC1 9592784 CVWPXPVUJYYPOA-UHFFFAOYSA-N 369.417 3.551 0 40 FHAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1-n1cccc1 10433096 MUTCHFAAUYHVIN-KRWDZBQOSA-N 371.444 3.857 0 40 FHAB CC(C)c1ccccc1NCC(=O)Nc1cccc(C(=O)NC2CC2)c1 11621797 QXASIAZKSHLROQ-UHFFFAOYSA-N 351.450 3.753 0 40 FHAB COc1ccc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2ccccc2OC)C3)cc1 12361587 LXZHQNNIAJELBU-DETIRCLXSA-N 367.489 3.824 0 40 FHAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N1CCCC1 12567860 MMBQJGIIRPBLJB-UHFFFAOYSA-N 361.445 3.843 0 40 FHAB Cc1ccc(NC(=O)[C@H](C)Nc2ccc(N3CCCC3=O)cc2)cc1F 12606790 RDGRMTWLBIBQCV-AWEZNQCLSA-N 355.413 3.700 0 40 FHAB C[C@@H]1CN(CCCNC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 12733534 YIHDQEJFWRGHQH-VXGBXAGGSA-N 360.285 3.614 0 40 FHAB C[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc(OC(F)F)cc1 13012627 XJGGRMBCOJQWTL-LBPRGKRZSA-N 363.360 3.827 0 40 FHAB CCCc1sc(C(=O)NC2CCN(CC)CC2)cc1Br 13745024 WBVHTWUZBHWWIG-UHFFFAOYSA-N 359.333 3.677 0 40 FHAB O=C(Cn1cc(-c2ccc(F)cc2)[n+]2c1CCC2)Nc1cccc(Cl)c1 13786787 QLBOOMPIEZUHCC-UHFFFAOYSA-O 370.835 3.820 0 40 FHAB COc1cc(NC(=S)NCCc2cccs2)c(OC)cc1Cl 13856420 FWKRPDTWWCVHLU-UHFFFAOYSA-N 356.900 3.948 0 40 FHAB CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc2ccccc2n1 14019196 ANUBXFVVPKYSTK-CQSZACIVSA-N 362.385 3.621 0 40 FHAB COc1ccccc1CN(C)C(=O)c1sc(-c2ccccn2)nc1C 14139185 QRHOZVAFMIWYIL-UHFFFAOYSA-N 353.447 3.794 0 40 FHAB Cc1cc(COC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)on1 14803248 RUCMRPIUSUPDJU-UHFFFAOYSA-N 355.369 3.544 0 40 FHAB O=C1OCC/C1=C/OCCCCCCCCCCO/C=C1/CCOC1=O 17019792 ZKODMILGLBETIF-IQRFGFHNSA-N 366.454 3.802 0 40 FHAB CC(C)Oc1ccc(CNC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 20106301 QJNSYFUAEZCYGL-UHFFFAOYSA-N 366.461 3.526 0 40 FHAB C[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(-n2cncn2)cc1 22698968 CFBTYBDWRZKXQD-ZHZWZMEUSA-N 352.825 3.811 0 40 FHAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc(Br)cc1 22864793 JMILBOOFZJKTDY-UHFFFAOYSA-N 373.250 3.937 0 40 FHAB C[C@H](NC(=O)c1ccccc1S(C)(=O)=O)c1ccc(Cl)cc1Cl 22926195 JSRAHPFIGBDZJA-JTQLQIEISA-N 372.273 3.888 0 40 FHAB C[C@H](NC(=O)c1cccc(Cl)c1)[C@H](c1cccs1)N1CCOCC1 23180992 RZVPOMVMQRGSHT-SUMWQHHRSA-N 364.898 3.593 0 40 FHAB CCOc1c(Cl)cc(CNCc2ccc3c(c2)OCCO3)cc1OC 25262526 LJYCUGFAWOLBGN-UHFFFAOYSA-N 363.841 3.808 0 40 FHAB Cc1cc(C)c2oc(C(=O)Nc3onc4c3C[C@@H](C)CC4)cc(=O)c2c1 27748330 NDLUWENFUDTJKI-JTQLQIEISA-N 352.390 3.775 0 40 FHAB COc1cc(C(=O)Nc2nnc(-c3ccccc3)s2)cc2c1O[C@H](C)C2 28282729 VVYDEILJNMPYFI-LLVKDONJSA-N 367.430 3.789 0 40 FHAB CC[C@@H]1CN(C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)CCO1 29154482 DOCQFFKDLAZMKN-MRXNPFEDSA-N 357.837 3.822 0 40 FHAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2ccccc2Cn2ccnc2)o1 29207124 FLLDICOBGRAXQN-YRKRUQKISA-N 361.445 3.977 0 40 FHAB Cc1ccc(-c2nc(CC(=O)NCCOc3ccc(F)cc3)cs2)o1 31918292 YLKIETKFCYBGOH-UHFFFAOYSA-N 360.410 3.588 0 40 FHAB O=C(c1ccccn1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 32480058 HJPYMPYGLNEHNH-UHFFFAOYSA-N 352.415 3.761 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)c2cccnc2SC(F)F)c1 32741099 BTFZRGUGKHGXAH-JTQLQIEISA-N 368.405 3.905 0 40 FHAB C[C@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1S2)c1ccccc1F 32845055 SYABPHWTDAETNJ-HXPMCKFVSA-N 356.422 3.632 0 40 FHAB COc1ccc(C(=O)CCC(=O)N2c3ccccc3C[C@H]2C)cc1OC 32901306 RHHJRBGAQCVCLU-CQSZACIVSA-N 353.418 3.645 0 40 FHAB COc1ccc(-c2nc(CS(=O)(=O)c3ccc(C)cc3C)co2)cc1 32937274 NFAHNMSAGGRLQB-UHFFFAOYSA-N 357.431 3.941 0 40 FHAB OCc1ccc(OCc2ccc(F)cc2)c(I)c1 34772887 WSCMGXLNDFIKTB-UHFFFAOYSA-N 358.150 3.502 0 40 FHAB O=C(Nc1nc(C(F)(F)F)cs1)c1cncc(Br)c1 36759648 FRACNCNLFHHXTQ-UHFFFAOYSA-N 352.135 3.572 0 40 FHAB Cc1ccc(Nc2ccccc2C(=O)OCC(=O)Nc2cc(C)on2)cc1 40017805 VLBQPFKNMKBLFD-UHFFFAOYSA-N 365.389 3.831 0 40 FHAB Cc1cc([C@H](C)NC(=O)[C@@H](C)NC(=O)/C=C/c2ccccc2)c(C)s1 40080892 OIKCEJDVZGFSIX-KZGTWKPJSA-N 356.491 3.760 0 40 FHAB O=C(NCc1cc[nH]n1)c1sc(-c2ccco2)nc1-c1ccccc1 40105385 JCDXYWYRMMBISO-UHFFFAOYSA-N 350.403 3.723 0 40 FHAB O=C(/C=C/c1c(F)cccc1F)NCCc1ccc(-n2cccn2)cc1 40106491 NOZYJUVOONQQMU-MDZDMXLPSA-N 353.372 3.523 0 40 FHAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 40119328 QUFZMJUFNVWWTJ-UHFFFAOYSA-N 363.295 3.609 0 40 FHAB CCC(=O)N1CCC[C@H](C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)C1 40146620 TZNHGSBWCJWWCT-HNAYVOBHSA-N 374.481 3.741 0 40 FHAB O=C(CCC(=O)c1ccccc1)Nc1nc(CN2CCCCC2)cs1 40161774 BCAJODVGERUHQO-UHFFFAOYSA-N 357.479 3.731 0 40 FHAB O=c1[nH]c(N2CCCCC2)nc2nccc(/C=C/c3ccc(F)cc3)c12 40388473 AYTJIQOIRYSEPZ-QPJJXVBHSA-N 350.397 3.618 0 40 FHAB Cc1cc(OCC(=O)Nc2c(C)cccc2C)nc(N2CCC[C@@H](C)C2)n1 44168379 DQPIKRLEWIAXIR-CQSZACIVSA-N 368.481 3.656 0 40 FHAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CCCNC(=O)c1ccco1 44685450 AUEMVFIDVCPDGN-HNNXBMFYSA-N 358.438 3.521 0 40 FHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(c2cccc(C)c2C)CC1 44846221 AZIGUIQCSXVYLC-OAQYLSRUSA-N 370.468 3.949 0 40 FHAB Cc1ccc(-c2nc(CSCCN3C(=O)NC(C)(C)C3=O)co2)c(C)c1 45024861 QMCFBDVGJHXGFC-UHFFFAOYSA-N 373.478 3.522 0 40 FHAB O=C(Cc1csc(-c2ccco2)n1)Nc1ccc(-n2cccn2)c(F)c1 47420323 JUXRNFVXKDVOPE-UHFFFAOYSA-N 368.393 3.909 0 40 FHAB C[C@@H](NC(=O)Nc1ccccc1Cl)c1cccc(NS(C)(=O)=O)c1 48050773 ZCFDPSSAKJBDCU-LLVKDONJSA-N 367.858 3.594 0 40 FHAB Cc1nnc(C2CCN(CC(=O)Nc3ccc(C)c(Cl)c3)CC2)s1 49365836 DCKCSIMVKAUZCH-UHFFFAOYSA-N 364.902 3.626 0 40 FHAB OCCNc1nc2ccccc2n1Cc1ncc(-c2ccc(Cl)cc2)o1 50510770 LPGWTNGOZOKVGW-UHFFFAOYSA-N 368.824 3.797 0 40 FHAB Cc1c(NC(=O)C2=NO[C@@H](c3ccccc3)C2)cccc1N1CCCC1=O 53115417 BTLMPORNVDWDEA-LJQANCHMSA-N 363.417 3.578 0 40 FHAB COc1ccccc1C1(CNC(=O)c2cnc3onc(C)c3c2)CCCC1 53271789 IBQHZNARSCIVPV-UHFFFAOYSA-N 365.433 3.782 0 40 FHAB C[C@H](c1ccccc1)n1cnnc1SCc1nc(-c2ccco2)no1 53840937 AIUHVRYFDJBVJN-GFCCVEGCSA-N 353.407 3.823 0 40 FHAB O=C(N[C@H]1CCCN(c2ncccn2)C1)c1ccccc1Nc1ccccc1 54016049 NLSMKIOSCGXXKN-SFHVURJKSA-N 373.460 3.619 0 40 FHAB CSc1ccccc1NC(=O)[C@@H](C)n1nc(-c2cccs2)ccc1=O 56905924 NZHCJUXEFKWLCE-GFCCVEGCSA-N 371.487 3.893 0 40 FHAB CC[C@@H](NC(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1)c1cccs1 57242056 FHSMDUGAGPQPCD-QGZVFWFLSA-N 371.506 3.675 0 40 FHAB C[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)c1ccc2[nH]c(=O)[nH]c2c1 58209729 OUZFDTGHHXNSGV-SECBINFHSA-N 364.327 3.758 0 40 FHAB O=C(CCn1ccnc1)Nc1cccc(C(=O)Nc2ccccc2Cl)c1 58225349 SLLZHMWLTLEBOR-UHFFFAOYSA-N 368.824 3.818 0 40 FHAB O=C(Cn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O)c1ccccc1 58227267 OSPAVBVXLILXEU-UHFFFAOYSA-N 358.319 3.812 0 40 FHAB CC[C@H](Sc1nnc(C2CC2)n1CCC(N)=O)c1ccc(Cl)cc1 58228127 HMFRSNQJFLEKKB-AWEZNQCLSA-N 364.902 3.928 0 40 FHAB COc1ccccc1CC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 58248561 MZTBDRGYUBGULW-UHFFFAOYSA-N 372.896 3.672 0 40 FHAB CCCC(=O)Nc1cccc(NC(=O)N[C@H]2COc3ccccc32)c1C 58644325 OYMDVLAKHVRFHD-KRWDZBQOSA-N 353.422 3.989 0 40 FHAB COc1ccc(-c2nnc(Cc3nc(-c4cccc(F)c4)no3)o2)cc1 65185390 VCRZTYUOMCJHAF-UHFFFAOYSA-N 352.325 3.525 0 40 FHAB Cc1ccc(-c2cc(NC(=O)c3cccc(C[S@](C)=O)c3)[nH]n2)s1 65576607 NJWYNVIOMKOVBJ-XMMPIXPASA-N 359.476 3.577 0 40 FHAB COc1ccc([C@@H](C)N2Cc3cc(Cl)ccc3OCC2=O)cc1OC 67323782 LZWCWSYRLFKVMI-GFCCVEGCSA-N 361.825 3.839 0 40 FHAB O=C(N[C@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)C1CC1 72337767 BESPTAZEFHQBGC-AEFFLSMTSA-N 373.497 3.762 0 40 FHAB Cn1cc(CN2CCC[C@H](c3cncc(-c4cccc(Cl)c4)n3)C2)cn1 72359730 HEESZNLIKPWLML-KRWDZBQOSA-N 367.884 3.910 0 40 FHAB Cc1nc(C)c([C@H](C)NC(=O)CSC(=S)N2CCC(C)CC2)s1 75120826 RGBZYOVMFBSPLH-LBPRGKRZSA-N 371.597 3.687 0 40 FHAB C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1cc(C2CC2)on1 76649864 VSMADGCCOUIGJA-BEFAXECRSA-N 353.466 3.535 0 40 FHAB CO[C@H](C)c1noc(CN(C)C(=O)C2(c3cccs3)CCCCC2)n1 81384564 CQBWEFKGQFUXBD-CYBMUJFWSA-N 363.483 3.699 0 40 FHAB Cc1ccc2c(c1)N(C(=O)c1sc(-c3ncccn3)nc1C)C[C@@H](C)O2 81390079 JXBFNNLVVPXSJS-GFCCVEGCSA-N 366.446 3.645 0 40 FHAB O=C1CCCc2cc(C(=O)Nc3cnc(-c4ccccc4)nc3)ccc2N1 84564882 QUMJKUHAALSMGL-UHFFFAOYSA-N 358.401 3.671 0 40 FHAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCC1([C@H](O)C(C)C)CC1 95987353 JIOBAJYNRDWVLM-QGZVFWFLSA-N 361.486 3.508 0 40 FHAB O=C(CSc1ccc(F)cc1)NCCn1ccc(-c2cccs2)n1 96103837 BDPJZNGOXKPBGK-UHFFFAOYSA-N 361.467 3.659 0 40 FHAB O=C1C[C@H](c2cccc(O)c2)c2c(ccc3nn(-c4ccccc4)nc23)N1 96118138 HDXUJWYXYHVJKT-MRXNPFEDSA-N 356.385 3.600 0 40 FHAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3C[C@@H]3C)CC2)on1 100743702 UQOHPKXPRIIPFQ-SJWGOKEGSA-N 368.481 3.794 0 40 FHAB Cc1c(Cl)cc2c(oc(=S)n2[C@@H]2CC(=O)[C@@H]3OC[C@@H]2O3)c1Cl 102455805 RBPUDUPCQGACEW-LIEFSGRHSA-N 360.218 3.834 0 40 FHAB COc1ccc(-n2ncc3c2CCCN(C(=O)C2CCCCC2)C3)cc1 105778229 QTHAOGVJQWRVKR-UHFFFAOYSA-N 353.466 3.736 0 40 FHAB Cc1cc(NC(=O)[C@]2(C)CCCO2)n(-c2ccccc2C(F)(F)F)n1 154714157 LSFNCAJKBOKHSJ-INIZCTEOSA-N 353.344 3.707 0 40 FHAB CCOP(=O)(OCC)[C@H](C(=O)OC)c1ccc(Br)cc1 199524878 XPAIDROLSYITIC-LBPRGKRZSA-N 365.160 3.929 0 40 FHAB Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1C 219232168 OMYYSACHZMWMEO-QGZVFWFLSA-N 350.462 3.917 0 40 FHAB Cc1c(C(=O)Nc2ccc(C(C)C)cc2)cccc1N(C)S(C)(=O)=O 222426351 REDYUROKVDHRNA-UHFFFAOYSA-N 360.479 3.767 0 40 FHAB COc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(OC)c1C 222564801 PDQQSLDHZUSJBX-UYHISHBKSA-N 369.490 3.997 0 40 FHAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 222867945 YXTZNVVIADVEGI-OALUTQOASA-N 366.490 3.907 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3F)nc2)c(C)c1 224286623 QQEXHDBXRVMNTA-UHFFFAOYSA-N 373.409 3.826 0 40 FHAB COc1ccc(OC)c([C@H](C)NC(=O)Cc2ccc(Cl)cc2F)c1 224370601 MLSJPALIQBOXTR-NSHDSACASA-N 351.805 3.916 0 40 FHAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(Cl)cc1 224415837 BOXINKGOPSHOPW-LBPRGKRZSA-N 354.233 3.956 0 40 FHAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1 225421112 OLBAHZLGMRAALN-RTBURBONSA-N 366.505 3.604 0 40 FHAB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)COc2ccccc2)c(C)c1 225783589 DXLUOSVMCLSVKU-HNNXBMFYSA-N 372.490 3.926 0 40 FHAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 225796241 ZFNKJMNIIHQJIX-LJQANCHMSA-N 351.443 3.652 0 40 FHAB O=C(c1ccccn1)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257336874 YQJXLIJIEUUZRB-INIZCTEOSA-N 365.408 3.819 0 40 FHAB FC(F)(F)c1ccc(-n2ncc3c2COC[C@@H]3NCc2ccco2)cc1 306143040 XRMZUGYTNAFZKX-INIZCTEOSA-N 363.339 3.845 0 40 FHAB Cc1ccc(O[C@@H](C)C(=O)N(C)Cc2nnc(-c3ccc(C)cc3)o2)cc1 408714154 JYQVNJHEVWKICL-INIZCTEOSA-N 365.433 3.779 0 40 FHAB COc1ccc(OC)c(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c1 409007816 SBJHOOIDPGDAHA-AQTBWJFISA-N 369.442 3.983 0 40 FHAB COc1ccc2c(c1)CCC[C@H]2NC(=O)NCCc1ncc(C)cc1C 654410853 CJFUVBRIULIMEW-HXUWFJFHSA-N 353.466 3.626 0 40 FHAB O=C(c1ccccc1)N1C[C@](O)(c2ccccc2)N(c2ccccc2)C1=S 687883 SOTPNKGQCVOHHO-QFIPXVFZSA-N 374.465 3.779 0 40 FHAB Cc1ccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)c2cccc(C)c2)cc1 714637 OFLXBKWIXSTZLH-GOSISDBHSA-N 362.351 3.913 0 40 FHAB CNC(=S)N(Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 875384 VRHIMMHOZWDIAH-UHFFFAOYSA-N 365.502 3.651 0 40 FHAB O=C(COc1ccccc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 1409675 PIHPUUFZDZYKEQ-UHFFFAOYSA-N 362.433 3.689 0 40 FHAB COc1ccccc1[C@@H](O)[P@@](=O)(OC(C)C)c1ccc(N(C)C)cc1 2375274 JTBVPPFEPDCPLN-DFBJGRDBSA-N 363.394 3.781 0 40 FHAB CC(=O)c1sc(NC(=O)COc2c(C)cc(Cl)cc2C)nc1C 2658503 AUQAHPYVZWIXTQ-UHFFFAOYSA-N 352.843 3.942 0 40 FHAB C[C@@H](Oc1ncnc2c(Cl)cc(Cl)cc12)C(=O)NCc1ccco1 3418085 JPAWYSQAVZLSOF-SECBINFHSA-N 366.204 3.613 0 40 FHAB CC(C)[C@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@H](C)C2 3536611 MJWJPOPQQOIYEV-GJZGRUSLSA-N 368.477 3.677 0 40 FHAB CCN(C(=O)[C@H](C)Sc1nncn1-c1ccccc1)c1ccccc1 3556584 CZVHTEQVJCKTCZ-HNNXBMFYSA-N 352.463 3.801 0 40 FHAB COc1ccc2nc(NC(=S)NC(=O)c3ccccc3F)sc2c1 4520398 JJDKNJDBXFKQIU-UHFFFAOYSA-N 361.423 3.571 0 40 FHAB O=C(CSc1nc(-c2cccs2)n[nH]1)N[C@H]1CCCc2ccccc21 5017197 DBEGTXLAYKLZAO-AWEZNQCLSA-N 370.503 3.819 0 40 FHAB C[C@H]1CCCN(C(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)C1 5111249 DCUWSSGDSSHOMI-INIZCTEOSA-N 353.418 3.894 0 40 FHAB CC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1 5118492 XUUHWEMFJHTMDC-UHFFFAOYSA-N 366.200 3.992 0 40 FHAB CC(=O)c1ccc(NC(=O)c2cccn(Cc3cccc(C)c3)c2=O)cc1 5269667 GDFPJAVOMVRSHN-UHFFFAOYSA-N 360.413 3.660 0 40 FHAB CCOC(=O)/C=C1\C[C@H]2c3cc(OC)c(OC)cc3CCN2C[C@H]1CC 5353558 XVPICYCPIBJEBT-FKTQOLNDSA-N 359.466 3.522 0 40 FHAB CNC(=O)c1ccccc1[C@](O)(c1ccccc1)c1ccc(Cl)cc1 5605296 FBIMDXRRVFDEEL-NRFANRHFSA-N 351.833 3.984 0 40 FHAB CCOC(=O)c1c(C)[nH]c(C(=O)COc2ccc(F)c(Cl)c2)c1C 5616580 JMSZSIMWLJBWDR-UHFFFAOYSA-N 353.777 3.862 0 40 FHAB C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 5723735 VDYLVWGBLQNNAW-NDWOEOEJSA-N 361.482 3.767 0 40 FHAB biogenic C[C@@H]1CCc2sc(C(=O)OCC(=O)c3ccc4c(c3)OCO4)cc2C1 5773057 QPMPCHDKRNVMBA-LLVKDONJSA-N 358.415 3.641 0 40 FHAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1nccn1C 6369642 HFFIYJPAEWBRKB-UHFFFAOYSA-N 373.400 3.959 0 40 FHAB CCC(=O)c1ccc(OCC(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1 6978303 UVUZVJFAAMKCDL-QHCPKHFHSA-N 374.440 3.959 0 40 FHAB O=C(CSc1nc(C(F)(F)F)nc2ccccc12)NC1CCCC1 7160561 HFSQVXFYCADSFS-UHFFFAOYSA-N 355.385 3.800 0 40 FHAB O=C(Nc1nc2ccc(Cl)cc2s1)c1cnn(-c2ccccc2)n1 7399357 HRINXCUFWSPDTB-UHFFFAOYSA-N 355.810 3.783 0 40 FHAB Cc1nc2ccccc2n1CCNC(=O)COc1ccc(C(C)(C)C)cc1 8134761 UKZJQSNAJOXVHB-UHFFFAOYSA-N 365.477 3.837 0 40 FHAB Cc1cc(-c2ccccc2)nc2cc(-c3nc(-c4cccnc4)no3)nn12 9050808 UOXXAPGSIWDYFK-UHFFFAOYSA-N 354.373 3.817 0 40 FHAB CC(C)(C)Nc1nnc(SCC(=O)Nc2ccc(F)cc2F)s1 9446354 NBUXAPVMRBYYDZ-UHFFFAOYSA-N 358.439 3.758 0 40 FHAB Cc1ccc(CNC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)cc1F 11052964 KAOYHIZKOBDROB-AWEZNQCLSA-N 355.409 3.828 0 40 FHAB COc1ccc2c(c1)s/c(=N/C(=O)c1ccc3c(c1)CCCC3)n2C 11726308 KPNNXIHIIXLYTN-QZQOTICOSA-N 352.459 3.868 0 40 FHAB COc1cc(OC)c(OC)cc1CN1CCC[C@@H]1c1cc2cccnc2[nH]1 12222550 PERITNIZQPRDAP-QGZVFWFLSA-N 367.449 3.926 0 40 FHAB CCOC(=O)c1ccc(NC(=O)C2=C(c3ccccc3)SCCO2)cc1 12388996 DJDHBNRZZHSFEI-UHFFFAOYSA-N 369.442 3.934 0 40 FHAB Cc1cccc(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)n1 12523231 JARGQZMDHPQRIO-UHFFFAOYSA-N 370.412 3.650 0 40 FHAB Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 12597870 IBXLJZUAFUKTFR-QGZVFWFLSA-N 355.457 3.592 0 40 FHAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccsc2)c1 12683355 NNJPGRMHZJZQQR-UHFFFAOYSA-N 372.471 3.826 0 40 FHAB CC(C)(C)C(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3CCCO3)n2)cc1 12808990 CYILWMNXWRFNDQ-OAHLLOKOSA-N 373.478 3.912 0 40 FHAB Cc1c(Cl)cccc1NC(=O)CNC(=O)c1cc(C)n(C2CC2)c1C 12935797 YTTHRPIVDHCEKB-UHFFFAOYSA-N 359.857 3.770 0 40 FHAB O=C1OC(c2cccc(OC(F)F)c2)=N/C1=C\c1ccc(F)cc1F 12995671 KSGNXQWCVNDSOZ-AUWJEWJLSA-N 351.255 3.911 0 40 FHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCSc1ccccc1 13005687 LDTCKVIEQFUNIQ-UHFFFAOYSA-N 354.479 3.843 0 40 FHAB Nc1nc2n(n1)[C@@H](c1c(F)cccc1Cl)C[C@H](c1ccc(F)cc1)N2 13131475 AXWXXRPVAUOWKM-ZIAGYGMSSA-N 361.783 3.938 0 40 FHAB aggregator CCc1nc2ccc(Cl)cc2c2nc(NC(=O)c3ccccc3)nn12 13633645 JFSBCSVYQLBQSN-UHFFFAOYSA-N 351.797 3.746 0 40 FHAB CC[C@@H](C(=O)Nc1ccc(C)cc1C)N(c1ccc(C)cc1)S(C)(=O)=O 13713045 GSGOHRWJZIZUKC-IBGZPJMESA-N 374.506 3.795 0 40 FHAB CN(Cc1ccccc1)Cc1nc2ccccc2c(=O)n1Cc1ccco1 14139670 IAZSHXMWWVHSMF-UHFFFAOYSA-N 359.429 3.670 0 40 FHAB NC(=O)CSc1ccccc1C(=O)Nc1ccc(SC(F)F)cc1 14182367 AUCKGMJXYQRFST-UHFFFAOYSA-N 368.430 3.831 0 40 FHAB COc1ccc(-c2nc(CNC(=O)COc3ccc(F)cc3)cs2)cc1 15832656 POFMJDPFARGGRW-UHFFFAOYSA-N 372.421 3.653 0 40 FHAB CC(=O)c1ccc(OCC(=O)N[C@H]2CCSc3c(F)cccc32)cc1 16300667 VNJNEYLZPXGNCI-KRWDZBQOSA-N 359.422 3.760 0 40 FHAB CCN1C(=O)CCc2cc(NS(=O)(=O)c3cc(C)c(C)cc3C)ccc21 17289149 IFGQMYMXXSXDGR-UHFFFAOYSA-N 372.490 3.712 0 40 FHAB Cc1cccc(NC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c1 17743532 GAZJRGXBUCSEKI-UHFFFAOYSA-N 351.450 3.943 0 40 FHAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cccc(S(C)(=O)=O)c1 18079788 LITUDRHKOUPZIC-UHFFFAOYSA-N 359.491 3.660 0 40 FHAB C[C@H]1Sc2ccc(C(=O)NCCc3cccc(Cl)c3)cc2NC1=O 18105071 FTHNCRQZMZKFNJ-LLVKDONJSA-N 360.866 3.745 0 40 FHAB COc1nc2cc(C)ccc2cc1CN(CCN(C)C)Cc1ccccn1 19234257 JCPVBXJVZBDSKF-UHFFFAOYSA-N 364.493 3.511 0 40 FHAB CCCC(=O)N[C@H](Cc1cc(N(C)C)nc(C2CC2)n1)c1ccccc1 19501715 XACKBRGVFRZXBT-GOSISDBHSA-N 352.482 3.620 0 40 FHAB O=C(O)c1cc(NC(=O)c2cc(Br)ccc2Cl)ccc1O 20138476 FKLJEUYXHRQDHF-UHFFFAOYSA-N 370.586 3.759 0 40 FHAB CN(C)[C@H](CNC(=O)C1=C(c2ccccc2)SCCO1)c1cccs1 20739377 IIQVWWNFCAHIRC-OAHLLOKOSA-N 374.531 3.599 0 40 FHAB CC(C)N(C(=O)Cn1c(CN2CCCCC2)nc2ccccc21)C(C)C 21171095 RIPSAFUMWUJQEZ-UHFFFAOYSA-N 356.514 3.668 0 40 FHAB Cc1ccc2c(c1)N(Cc1cccc(C(F)(F)F)c1)C=NS2(=O)=O 21653487 KKMPUUNFCMCJNH-UHFFFAOYSA-N 354.353 3.751 0 40 FHAB CC(C)CCNC(=O)COC(=O)c1ccccc1SCc1ccco1 21839644 ONIZOKPZGXPRTF-UHFFFAOYSA-N 361.463 3.891 0 40 FHAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1cc(C)ccc1OC)cn2C 22237261 VGQPANHKLDUPJJ-UHFFFAOYSA-N 366.417 3.507 0 40 FHAB Cc1nc(C(C)(C)C)nc2sc(C(=O)NCCc3ccccn3)c(C)c12 22507813 NWEGHLKZDLTLEP-UHFFFAOYSA-N 368.506 3.973 0 40 FHAB CCC(CC)[C@H](CNC(=O)c1ccc(Cl)cc1Cl)N1CCOCC1 22755245 JWZQFBHGFZKQNR-KRWDZBQOSA-N 373.324 3.860 0 40 FHAB Cc1ccc(Nc2nc(NCc3ccc4c(c3)OCO4)nc3[nH]ncc23)cc1 23135928 QZXYSESBLHXKEX-UHFFFAOYSA-N 374.404 3.746 0 40 FHAB COC(=O)c1cccc(OS(=O)(=O)/C=C/c2ccc(Cl)cc2)c1 23742675 ITQICUWOQFDLDK-MDZDMXLPSA-N 352.795 3.506 0 40 FHAB CC(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 25785856 PTPFZDNLMPTJQB-GFCCVEGCSA-N 358.781 3.920 0 40 FHAB Cc1c(C(=O)Nc2nc(CC(N)=O)cs2)oc2c1ccc1ccccc12 26151544 FNNXSGVJYJIHFD-UHFFFAOYSA-N 365.414 3.631 0 40 FHAB CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NC1CC(C)(C)NC(C)(C)C1 27975809 PIKWYNLOONJVDO-LJQANCHMSA-N 358.526 3.758 0 40 FHAB CCn1cc(CN(C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cn1 28222021 KLAQAWMZNBRCMP-LLVKDONJSA-N 356.253 3.636 0 40 FHAB C/C=C/C=C/C(=O)Nc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F 30451773 AVVKNBUOXBOPLZ-MQQKCMAXSA-N 368.364 3.878 0 40 FHAB C[C@@H](C(=O)Nc1cccc(NC(=O)NC2CC2)c1)n1cnc2ccccc21 30562245 NTEKVEDQOLPFDZ-ZDUSSCGKSA-N 363.421 3.520 0 40 FHAB CC(=O)c1ccccc1C(=O)OCC(=O)c1ccc(Br)cc1 30835741 CQCJQIYELICSMQ-UHFFFAOYSA-N 361.191 3.691 0 40 FHAB Cc1cc(C)c(C(N)=O)c(SCC(=O)Nc2ccccc2C(C)(C)C)n1 32672348 MHJCECCLQYJBLW-UHFFFAOYSA-N 371.506 3.826 0 40 FHAB CCOC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1Br 34157349 QOWPWCANHNPTQQ-UHFFFAOYSA-N 363.133 3.830 0 40 FHAB CN(C)C1(CNC(=O)c2ccc(F)cc2Br)CCCCCC1 39984966 FBKSUSKXUHFQSC-UHFFFAOYSA-N 371.294 3.973 0 40 FHAB Cc1ccc(Oc2ccccc2NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1 40073597 VSPSZBPLCSOXGK-MRXNPFEDSA-N 352.434 3.983 0 40 FHAB O=C(c1ccc(Cl)cc1F)N1CCC[C@@H]1c1nnc2n1CCCCC2 40080267 SFZKZFNQVGUXJZ-OAHLLOKOSA-N 362.836 3.774 0 40 FHAB CC(C)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 41272945 ZAFXLXQYKQUDAP-CHWSQXEVSA-N 372.387 3.650 0 40 FHAB Cc1noc(C)c1CC(=O)Nc1ccnn1Cc1cccc2ccccc12 44566823 WMIXWPOYSCAFAH-UHFFFAOYSA-N 360.417 3.871 0 40 FHAB Cc1cccc(CSCC(=O)NCc2nc(-c3ccccc3)no2)c1 44779375 URXLAPSKVVIGRA-UHFFFAOYSA-N 353.447 3.595 0 40 FHAB CC(=O)Nc1ccc(-c2csc(NC(=O)/C=C/c3ccccn3)n2)cc1 47517861 PHADBBKQRCDHIN-MDZDMXLPSA-N 364.430 3.815 0 40 FHAB CCOc1ccc(CNC(=O)c2nnn(-c3ccc(C)c(C)c3)c2C)cc1 51318225 ISVYKGGUEALFNG-UHFFFAOYSA-N 364.449 3.521 0 40 FHAB Cc1ccc(C)c(NC(=S)NC2CCN(C(=O)c3ccccc3)CC2)c1 53158695 VKHPZNZPMSYPGJ-UHFFFAOYSA-N 367.518 3.895 0 40 FHAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c1 54500411 KMLXRJBJPMGLHP-STQMWFEESA-N 364.829 3.684 0 40 FHAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc3oc(-c4cccc(F)c4)nc3c2)C1 57326984 UJYKBLZLXQSKFY-CYBMUJFWSA-N 368.364 3.550 0 40 FHAB CSc1nc2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)cc2s1 59478024 ZUZVWPHCLDXJAK-QWRGUYRKSA-N 350.465 3.848 0 40 FHAB O=C(CSc1ccc(F)cc1)Nc1nnc(COc2ccccc2)o1 61973991 JJSIBEKQPUBPME-UHFFFAOYSA-N 359.382 3.519 0 40 FHAB Fc1ccc(NC(=S)NCc2nc(-c3cccs3)no2)c(F)c1 65705215 FCZVGDSZIHTCMX-UHFFFAOYSA-N 352.391 3.563 0 40 FHAB Clc1ccc([C@H](CNc2nc3ccccc3o2)N2CCOCC2)cc1 65945885 GAIMLIXGLRKLMT-KRWDZBQOSA-N 357.841 3.967 0 40 FHAB CCN(Cc1ccccc1)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 69650150 GCTZHKBGLBTSSE-UHFFFAOYSA-N 365.260 3.772 0 40 FHAB CCOCCCNc1ncc(-c2cc(C)no2)c(-c2ccc(C)nc2)n1 72336742 LMHWRBUOGSRBTQ-UHFFFAOYSA-N 353.426 3.649 0 40 FHAB COC(C)(C)C(=O)N1CCC(c2ccc(Nc3ncccc3C)cn2)CC1 72374349 POJCEAIRFFOFPY-UHFFFAOYSA-N 368.481 3.660 0 40 FHAB O=C(COc1ccc(Cl)cc1Cl)NCC[C@H](O)c1cccs1 77114225 RXXCTBWZEIJHFP-LBPRGKRZSA-N 360.262 3.674 0 40 FHAB CCN(c1ccc(C(=O)Nc2ccc3c(c2)oc(=O)n3C)cc1)C(C)C 78479925 WUEVZLBWHJFFKL-UHFFFAOYSA-N 353.422 3.619 0 40 FHAB CC[C@H](NC(=O)Nc1nc(-c2ccccc2)ns1)c1cnn(CC)c1 78954166 QGYKCYOIDMPKBM-AWEZNQCLSA-N 356.455 3.694 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@@H]1CNCc1ccccc1Br 83264772 YVAWAKKBNUBKIK-CQSZACIVSA-N 369.303 3.938 0 40 FHAB CCOc1ccc(-c2nc(-c3ccc(OC)c(OC)c3)n[nH]2)cc1OC 85384423 FKTYIGLYELXTMO-UHFFFAOYSA-N 355.394 3.563 0 40 FHAB COc1cc(C)c(C(=O)Nc2c(C)cnn2-c2ccccc2)cc1OC 87377775 WCKSDVMQZXPNSJ-UHFFFAOYSA-N 351.406 3.759 0 40 FHAB O=C(Nc1cccc(CCN2CCCC2)c1)[C@H]1OCCc2ccccc21 91787988 LHMAHEUOKMBQQQ-NRFANRHFSA-N 350.462 3.577 0 40 FHAB CC(C)Cc1nnc([C@@H](C)N2CCN(Cc3ccc(Cl)s3)CC2)o1 95956608 PIGBIKHPFFQPLV-CYBMUJFWSA-N 368.934 3.862 0 40 FHAB CN(C(=O)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(Cl)cn1 95961190 HHRCXMPHDKIVCZ-JSGCOSHPSA-N 367.877 3.781 0 40 FHAB CCOc1cc(CN(C)Cc2ncnn2CC(C)C)ccc1OC(F)F 95995296 YXUQGGKZWVJEGE-UHFFFAOYSA-N 368.428 3.566 0 40 FHAB COC(=O)CCCc1nc(CN2c3ccccc3C(C)(C)C[C@H]2C)no1 96002348 JTBHLFCEXPFILM-CQSZACIVSA-N 357.454 3.642 0 40 FHAB CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1nc2c(s1)CCCC2 96117621 WAQBDOWEWPBJNB-UHFFFAOYSA-N 368.462 3.574 0 40 FHAB CCc1ccc(NC(=O)N2CC[C@]3(C[C@@H]3C(=O)Nc3cccnc3)C2)cc1 96226898 VYSHIZQHEWEMAE-NQIIRXRSSA-N 364.449 3.527 0 40 FHAB O=C(CCc1cc(Br)cs1)Nc1ccc2c[nH]nc2c1 107213260 FMHKFPAHQWKRJJ-UHFFFAOYSA-N 350.241 3.958 0 40 FHAB Cc1nc([C@@H]2CCCN2S(=O)(=O)c2cc(F)c(C)cc2F)cs1 188023437 OKVPQRNAIDKAIN-AWEZNQCLSA-N 358.435 3.564 0 40 FHAB Cc1ccc(C)c(OCCNC(=O)c2ccc(CN3CCCC3)cc2)c1 224008302 WTOVEHHXEUQIHG-UHFFFAOYSA-N 352.478 3.708 0 40 FHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCOc1ccc(C)cc1C 224158484 BICDNILYWFVWTC-IBGZPJMESA-N 357.450 3.665 0 40 FHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 224259777 OXTWRRYJIPCACE-OAQYLSRUSA-N 366.505 3.789 0 40 FHAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)o1 224590183 MASRMBZFEKVNEB-MSOLQXFVSA-N 351.431 3.866 0 40 FHAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC[C@@H]1COc2ccccc2O1 225256601 IGYVINPZHDDGMT-MAUKXSAKSA-N 369.461 3.708 0 40 FHAB Cc1cc(C)nc(Nc2ccc([C@H]3CN(C4CCCCC4)CCO3)nc2)n1 257230020 GAKHFGXCYGBGII-HXUWFJFHSA-N 367.497 3.938 0 40 FHAB CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccccc3C(=O)OC(C)C)C(=O)[C@@H]21 408623919 STGOAENVRHAPMI-LTDCPUDJSA-N 365.429 3.510 0 40 FHAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C)o3)C2=O)cc1 409182365 KJJMHXBLCQCYNU-MHWRWJLKSA-N 370.430 3.825 0 40 FHAB Cc1cc(C)n(C[C@H](C)C(=O)N[C@@H]2[C@@H]3CCC[C@@H]3[C@@H]2c2ccccc2)n1 409412856 SUMNUBBZRYWASY-YRJNGXSBSA-N 351.494 3.835 0 40 FHAB CS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2cccc(Cl)c2)o1 520214524 GCUACORKUVVAJC-CQSZACIVSA-N 367.854 3.704 0 40 FHAB COc1ccc(-c2nc(C(=O)N=c3cc(C)[nH]cc3C)cs2)cc1OC 534299456 ZMFQYSXVMIQMSF-UHFFFAOYSA-N 369.446 3.513 0 40 FHAB O=C(O)C[C@H]1CCCN(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)C1 557177781 USTKVGRKMXGCNY-OAHLLOKOSA-N 366.417 3.636 0 40 FHAB O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)Nc1c[nH]nc1-c1nccs1 570336925 LIIDFHDMEYQQET-UKRRQHHQSA-N 369.450 3.575 0 40 FHAB CCn1nnc2cc(C(=O)N(C(C)C)[C@H]3CCCc4cccnc43)ccc21 585079987 JJWZODNSWJPICS-IBGZPJMESA-N 363.465 3.774 0 40 FHAB O=C(Nc1ccc2ccn(C(F)F)c2c1)C1CCN(c2cnccn2)CC1 617990283 ATPINPJATULUKR-UHFFFAOYSA-N 371.391 3.682 0 40 FHAB O=C(NCc1ccccc1)[C@H]1CCN(Cc2ncc(Cl)cc2Cl)C1 646057171 YEVLMUMXJDXUNZ-AWEZNQCLSA-N 364.276 3.527 0 40 FHAB Cc1nccn1-c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2N)cn1 1290988613 REYINUAJYXEJNG-UHFFFAOYSA-N 362.220 3.717 0 40 FHAB Cc1csc(C(=O)N2[C@H]3CC[C@H]2CC(n2cc(C(C)(C)C)nn2)C3)c1 1775974364 ZFKFOTDFNHCQFU-KBPBESRZSA-N 358.511 3.954 0 40 FHAB Cc1cc(Cl)cc2sc(N3CC[C@@H](C(=O)NC(C)(C)C)C3)nc12 1889128191 HXWFABXETJUNAZ-LLVKDONJSA-N 351.903 3.999 0 40 FHAB Clc1cnc2nc(C3CCN(Cc4nnc(C5CC5)o4)CC3)ccc2c1 2086894014 MAYQTINULQSZBN-UHFFFAOYSA-N 369.856 3.923 0 40 FHAB CCOc1ccccc1NC(=O)c1cccc(I)c1 670284 YTIZLMQMKDZXJJ-UHFFFAOYSA-N 367.186 3.942 0 40 FHAB O=C(c1ccccc1)N1C[C@@H](COc2ccccc2)O[C@@H](c2ccco2)O1 709994 LEHRTFFXYSXILL-GHTZIAJQSA-N 365.385 3.830 0 40 FHAB Cc1ccc(C(C)C)c(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 879542 ZHXBSCJIMVEAAL-UHFFFAOYSA-N 370.468 3.985 0 40 FHAB CCOC(=O)c1cc2sc(C)cc2n1CC(=O)N(C(C)C)C(C)C 1338241 GGOAWKKMDHHJPC-UHFFFAOYSA-N 350.484 3.833 0 40 FHAB CCOC(=O)c1ccc(NC(=O)Oc2ccc3c(C)cc(=O)oc3c2)cc1 1753035 SLEWPYRGRKTWPF-UHFFFAOYSA-N 367.357 3.889 0 40 FHAB CCCOc1cccc(C(=O)NC(=S)Nc2ccc(N(C)C)cc2)c1 2053714 VGPQNZBZDOTDBQ-UHFFFAOYSA-N 357.479 3.668 0 40 FHAB COc1ccccc1-c1nnc2c3cnn(-c4ccc(C)cc4C)c3ncn12 2401115 CMAQKQQFFTZRIQ-UHFFFAOYSA-N 370.416 3.756 0 40 FHAB CN(C(=O)OC(C)(C)C)[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)O 2584027 KLLSBINBQFCWME-HNNXBMFYSA-N 351.443 3.727 0 40 FHAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCc3ccc(F)cc3)n2)n1 2663016 YXTNPBMGUWEOOY-UHFFFAOYSA-N 358.804 3.607 0 40 FHAB O=C1Nc2cccc3cc(S(=O)(=O)Nc4ccccc4Cl)cc1c23 2685251 MVWJOHMUGYJUKT-UHFFFAOYSA-N 358.806 3.860 0 40 FHAB CCC(CC)C(=O)Nc1c2c(nn1-c1cccc(C)c1C)C[S@](=O)C2 2724917 RETXFWAZZDLXGI-VWLOTQADSA-N 359.495 3.626 0 40 FHAB Cc1nc(C(=O)Nc2cccc(C(F)(F)F)c2)nn1-c1ccc(F)cc1 3111124 LUSQVFOURMXFSL-UHFFFAOYSA-N 364.302 3.986 0 40 FHAB Cc1c(-c2ccccc2)oc2c(C(=O)N3CCC(=O)CC3)cccc2c1=O 3440501 PAEOICGHDDECCR-UHFFFAOYSA-N 361.397 3.574 0 40 FHAB COc1ccc(Cc2nnc(Nc3c(C)cc(C)cc3C)nc2O)cc1 4224993 MGFRFYMRNYMXGI-UHFFFAOYSA-N 350.422 3.845 0 40 FHAB COc1ccc(-c2cnc(SCCNC(=O)Cc3ccccc3)[nH]2)cc1 4315473 OKHMFDDKRSEIOG-UHFFFAOYSA-N 367.474 3.536 0 40 FHAB Cc1cccc(NC(=O)CSc2nnc(COc3ccccc3)o2)c1 4619648 GGVGSOJMAABIFS-UHFFFAOYSA-N 355.419 3.688 0 40 FHAB O=C(Nc1ccc(F)c(F)c1F)c1cccn(Cc2ccccc2)c1=O 4940337 JTBJBLGRRGRPNT-UHFFFAOYSA-N 358.319 3.566 0 40 FHAB COc1ccc2sc(N(CCN(C)C)C(=O)c3ccc(C)cc3)nc2c1 5121494 DBJJEHZTOMPHIL-UHFFFAOYSA-N 369.490 3.822 0 40 FHAB O=C(Cc1ccc(F)cc1)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 5373813 NQWQWTMNQVZKKC-UHFFFAOYSA-N 352.409 3.696 0 40 FHAB COc1cc(NC(=O)c2c(F)cccc2Cl)ccc1N1CCCC1=O 5440258 BTNYCEZJUWIAPW-UHFFFAOYSA-N 362.788 3.867 0 40 FHAB COc1cccc(-n2cnnc2S[C@@H](C)C(=O)c2ccc(F)cc2)c1 6163029 COMWPLIJSZUTRT-LBPRGKRZSA-N 357.410 3.779 0 40 FHAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(F)cc3C)CC2=O)cc1 6460511 MBFMUCBOSLXLSO-AWEZNQCLSA-N 356.397 3.524 0 40 FHAB CC(C)=CCOc1ccc2c(C)c(CC(=O)NC(C)C)c(=O)oc2c1C 6624106 QMBHGXZMEGEUBL-UHFFFAOYSA-N 357.450 3.822 0 40 FHAB biogenic Cc1cccc(C(=O)N[C@H](C(=O)Nc2ccc(F)c(F)c2F)C(C)C)c1 6664131 AJWPFNIOANKSCU-KRWDZBQOSA-N 364.367 3.805 0 40 FHAB Cc1ccccc1OCC(=O)OCc1cc(=O)oc2c(C)c(C)ccc12 6886863 RWQJFMSPZUJEQA-UHFFFAOYSA-N 352.386 3.840 0 40 FHAB O=C(CSc1nnc(Nc2cccc(F)c2)s1)N1CCCCCC1 7576949 MQEIULHVACJAFR-UHFFFAOYSA-N 366.487 3.916 0 40 FHAB CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)NCc2ccccc2)CC1=O 7608847 PFQOIZRTUDJBQY-AEFFLSMTSA-N 350.462 3.869 0 40 FHAB Cc1nnc(SCC(=O)N2CC[C@H](C)Sc3ccccc32)n1C1CC1 7617812 KKTKONUOUJULGV-LBPRGKRZSA-N 374.535 3.931 0 40 FHAB COc1ccccc1-c1nnc(SCCOc2ccc(C)cc2)n1C 7737136 JAVIDVGRTNIDIQ-UHFFFAOYSA-N 355.463 3.970 0 40 FHAB Cc1cc(CSc2nnc(-c3ccncc3)n2Cc2ccccc2)no1 7830933 WXXJDOJXRREBFU-UHFFFAOYSA-N 363.446 3.977 0 40 FHAB Cc1ccc(-c2csc(NC(=O)CCn3c(=O)oc4ccccc43)n2)o1 8704753 XOXLTABYWNOPAB-UHFFFAOYSA-N 369.402 3.648 0 40 FHAB O=C(Nc1nc(C(=O)NCc2ccc(Cl)cc2)cs1)c1ccccc1 8873023 GSWTXEHIRZVHJY-UHFFFAOYSA-N 371.849 3.979 0 40 FHAB CC(=O)N1CCc2ccc(NC(=O)Cc3cccc4ccccc34)cc2C1 9034984 IBNDCQNDCMYVIB-UHFFFAOYSA-N 358.441 3.926 0 40 FHAB COc1ccc(OCC(=O)N(Cc2ccco2)Cc2ccc(C)o2)cc1 9204724 MNUIGWWZULNWGN-UHFFFAOYSA-N 355.390 3.797 0 40 FHAB CCOC(=O)Nc1cccc(C(=O)OCc2nnc(-c3ccccc3)o2)c1 9458694 NGUQAFRSFXJRGU-UHFFFAOYSA-N 367.361 3.662 0 40 FHAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc2cc(O)ccc2c1 9477863 HIYYKWPEOOAVKI-ZDUSSCGKSA-N 365.385 3.738 0 40 FHAB COc1cc(/C=C2\CCn3c2nc2ccc(Cl)cc2c3=O)ccc1O 9479382 FBOWZCBBQMSIRH-XYOKQWHBSA-N 354.793 3.708 0 40 FHAB NC(=O)c1cccc(NC(=O)Cc2csc(-c3cccc(Cl)c3)n2)c1 9908670 AVUMFYVUPXKRHU-UHFFFAOYSA-N 371.849 3.744 0 40 FHAB Cc1csc(-n2c(C)cc(C(=O)CSc3nncn3C3CC3)c2C)n1 10649030 LYSIRHBODHZLGM-UHFFFAOYSA-N 373.507 3.760 0 40 FHAB CCn1c(NC(=O)c2ccc3c(c2)NC(=O)CCS3)nc2ccccc21 10651316 KFUYPSNXJMLHSS-UHFFFAOYSA-N 366.446 3.743 0 40 FHAB CC(C)[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)c1ccc(Cl)cc1 10856247 HPJJBPWOGJYPBV-LJQANCHMSA-N 369.852 3.563 0 40 FHAB COc1cn(-c2ccccc2)nc1C(=O)Nc1nc2c(s1)C[C@H](C)CC2 11448336 RKKRKNWLUIGYBT-GFCCVEGCSA-N 368.462 3.715 0 40 FHAB Cc1ccc(OCC(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)cc1 12111504 DPCLIGAQDDKBAV-UHFFFAOYSA-N 367.405 3.850 0 40 FHAB CCn1c([C@@H](CC(C)C)NC(=O)Cc2cccs2)nc2cccnc21 12114134 OSJXJWVZKVNQGI-MRXNPFEDSA-N 356.495 3.959 0 40 FHAB CC(C)Oc1ccc(-c2noc(C(=O)NCc3ccc(F)cc3)n2)cc1 12389958 FQZAHGSPRPHXEZ-UHFFFAOYSA-N 355.369 3.593 0 40 FHAB Cc1cccc(N2CCN(C(=O)c3cc4c(C)nn(C)c4s3)CC2)c1C 12632620 QTJWJMNGYBEMFW-UHFFFAOYSA-N 368.506 3.522 0 40 FHAB CCN([C@H](C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cc(C)ccc1C 12780776 DCEINJUJGQVVIW-QGZVFWFLSA-N 374.506 3.650 0 40 FHAB CN(C)[C@H](CNC(=O)[C@H]1Cc2ccccc2S1)c1ccccc1Cl 12912303 OWOVCNJNTDJAQH-SJLPKXTDSA-N 360.910 3.776 0 40 FHAB O=C(COc1cccc2ccccc12)Nc1ccccc1N1CCCC1=O 12972122 BEFPXVAWAAWTBK-UHFFFAOYSA-N 360.413 3.984 0 40 FHAB CCOc1ccc2c(c1)s/c(=N/C(=O)Cc1ccc(C)c(C)c1)n2C 13962965 SXOKPLLSNDRXFA-QZQOTICOSA-N 354.475 3.925 0 40 FHAB COc1ccccc1[C@@H](C)NC(=O)CN1C(=O)c2cccc3cccc1c23 14214620 UECCHLHUFMDOTG-CQSZACIVSA-N 360.413 3.686 0 40 FHAB COc1cc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)cc(OC)c1 15580939 GHJHLLHDKDLURV-UHFFFAOYSA-N 374.824 3.736 0 40 FHAB Cc1csc([C@H](Cc2ccsc2)NC(=O)CCCn2ccnc2C)n1 19240163 NKVMWUURPONCTO-INIZCTEOSA-N 374.535 3.898 0 40 FHAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)CCc2cccnc2)n1 19240169 WEQJMMGDSWXDKW-MRXNPFEDSA-N 357.504 3.941 0 40 FHAB O=C(Cc1cccc(F)c1)N1CCC[C@H]1c1n[nH]cc1-c1ccncc1 19293714 QUUXEZQATCCTKP-SFHVURJKSA-N 350.397 3.517 0 40 FHAB O=C(c1ccccc1F)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1 19347555 QBYDQFPEFVIUME-SFHVURJKSA-N 350.397 3.978 0 40 FHAB CCN1CCC(n2nccc2NC(=O)c2cc3cc(C)ccc3o2)CC1 19527060 JVXGBFMYBZBTBU-UHFFFAOYSA-N 352.438 3.847 0 40 FHAB COc1cccc(-c2cc(C(=O)Nc3cccc(Cn4cccn4)c3)on2)c1 19718581 GJYKQHHCRLALNM-UHFFFAOYSA-N 374.400 3.847 0 40 FHAB CC(C)CC[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 23012805 XTSYYBSNAMJOEK-LPHOPBHVSA-N 368.477 3.788 0 40 FHAB CC(C)c1ccc(OCC(=O)NCc2nc(-c3cccs3)no2)cc1 24577188 WUZOVVVTSOMEDA-UHFFFAOYSA-N 357.435 3.617 0 40 FHAB CSc1ccc(CN(C)Cn2nc(CN3CCCC3)oc2=S)cc1 24992209 XQGLURHAHLFGNU-UHFFFAOYSA-N 364.540 3.613 0 40 FHAB CC(=O)OC[C@@]12CO[C@@H](c3ccc4c(c3)OCO4)[C@@H](C(C)=C[C@@H]1C)[C@@H]2C 26690371 OTAZKNLOTKUEQR-QLKGZJGRSA-N 358.434 3.884 0 40 FHAB biogenic Cc1cc(NC(=O)Cn2nc(C)c(Br)c2C)c2ccccc2n1 27981873 ROQNJPGJBVIVFU-UHFFFAOYSA-N 373.254 3.758 0 40 FHAB COc1cc2c(cc1NC(=O)CN1CCCCCC1=O)oc1ccccc12 28329686 RHIBGDXVNNTNDA-UHFFFAOYSA-N 366.417 3.936 0 40 FHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc([C@H]3C[C@@H]3C)o2)cc1Cl 30328638 UXAPADSMEOENLR-FZMZJTMJSA-N 369.870 3.886 0 40 FHAB COC(=O)c1cc(NC(=O)[C@@H](C)Oc2cccc(OC)c2)ccc1Cl 30754984 RTYHCIJPFLVERW-LLVKDONJSA-N 363.797 3.541 0 40 FHAB C[C@@H](Sc1nnc(Cc2cccs2)n1C)C(=O)N(C)c1ccccc1 32670173 NWWCGEWNHZXWJU-CYBMUJFWSA-N 372.519 3.611 0 40 FHAB COc1cccc(Cn2nccc2NC(=O)c2cccc(C)c2)c1OC 32810778 KAVDTXNYCCZOLJ-UHFFFAOYSA-N 351.406 3.509 0 40 FHAB CCc1noc(-c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)n1 33012637 QENUWYUJVSWWOG-UHFFFAOYSA-N 351.406 3.933 0 40 FHAB Cc1ccc(NC(=O)CCn2cnc3c([nH]c4ccccc43)c2=O)cc1C 35423853 GWCVMTBXCBWWIO-UHFFFAOYSA-N 360.417 3.523 0 40 FHAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(Br)cn3)c12 36613945 LWJLYHRMXJOZHG-UHFFFAOYSA-N 373.210 3.818 0 40 FHAB CSc1nnc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)s1 39989069 RNFMHPJLOINHNF-JTQLQIEISA-N 351.497 3.964 0 40 FHAB NC(=O)Nc1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1 40042901 QURRIKUTECUAGJ-UHFFFAOYSA-N 359.385 3.661 0 40 FHAB COc1ccc2cc(COC(=O)COc3ccccc3OC)ccc2c1 40052595 XEKYJZAOZIPQDW-UHFFFAOYSA-N 352.386 3.979 0 40 FHAB Cc1nnc(S[C@@H](C)c2nnnn2-c2ccccc2)n1C1CCCCC1 40089640 MNSNYZHKKZDEDG-ZDUSSCGKSA-N 369.498 3.921 0 40 FHAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(-c2csnn2)cc1 40157862 YNVPPIKJVDNCHO-UHFFFAOYSA-N 353.403 3.505 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H](c2csc(Nc3ncccn3)n2)C1 44029576 IRMKHSNVYHVODM-LBPRGKRZSA-N 361.471 3.791 0 40 FHAB COc1ccccc1C1(CNC(=O)Nc2ccccc2F)CCOCC1 49027003 LTPQVNIDWIDDDI-UHFFFAOYSA-N 358.413 3.704 0 40 FHAB O=C(Nc1ccncc1)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 57034765 HNXQRNHWCOPBLJ-LJQANCHMSA-N 373.416 3.769 0 40 FHAB O=c1c2ccccc2cnn1CN1CCC[C@H]1Cc1ccccc1Cl 57103449 OAPXWJWAIQHQRF-KRWDZBQOSA-N 353.853 3.715 0 40 FHAB CCOc1ccc([C@@H](NC(=O)NCCN(CC)CC)c2ccccc2)cc1 58209392 KLUQLANDHKQZHD-NRFANRHFSA-N 369.509 3.816 0 40 FHAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 58418608 XHVNMFZFUJMEHZ-RDJZCZTQSA-N 372.465 3.508 0 40 FHAB COc1ccc(NC(=O)c2ccc(C(N)=S)cc2)cc1OC1CCCC1 58840951 XNPPDNMIOMBPME-UHFFFAOYSA-N 370.474 3.903 0 40 FHAB Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2C)cc1C 65609563 DKHSSYGZBYEUDH-SFHVURJKSA-N 354.475 3.766 0 40 FHAB Cc1cccc(Cn2c(=O)n(-c3ccccc3C)c(=O)c3sccc32)c1 67258032 HFUMSVWMFJPSEQ-UHFFFAOYSA-N 362.454 3.879 0 40 FHAB O=C(/C=C/c1cccs1)NCC1CCN(c2nc3ccccc3o2)CC1 70932080 CFZUHAXDOXLYSH-BQYQJAHWSA-N 367.474 3.935 0 40 FHAB CO[C@H](C)c1cccc(NC(=O)c2ccccc2S(=O)(=O)C(C)C)c1 72087212 XCFGJQUCFVSHFQ-CQSZACIVSA-N 361.463 3.828 0 40 FHAB CC(=O)c1cccc(NC(=O)N2[C@H](CO)CSC[C@H]2c2ccccc2)c1 72289134 ZFZUHDVECQWGRQ-MOPGFXCFSA-N 370.474 3.572 0 40 FHAB Cc1noc(C2CCN(C(=O)N[C@@H](C)c3ccc(F)cc3Cl)CC2)n1 77669799 HMRYHESLFXAXGQ-JTQLQIEISA-N 366.824 3.821 0 40 FHAB CCc1c(NC(=O)c2nn(-c3ccccc3)cc2OC)cnn1CC(C)C 89280427 DCXYMQYWIOYXIK-UHFFFAOYSA-N 367.453 3.548 0 40 FHAB Cc1ccc([C@@H]2CCCCCN2C(=O)c2ncn(-c3ccccc3)n2)o1 92355444 PCIUQXNHWSGJSA-KRWDZBQOSA-N 350.422 3.926 0 40 FHAB CCc1ccc(NC(=O)C(=O)Nc2cnn(CC(C)C)c2C(C)C)cc1 95455047 UGWZMNLRTCWKDQ-UHFFFAOYSA-N 356.470 3.802 0 40 FHAB O=C(O)[C@H](c1ccc2ccccc2c1)N1CCN(c2ccc(F)cc2)CC1 95635271 BRWWTKGNWWWPPR-NRFANRHFSA-N 364.420 3.927 0 40 FHAB Cc1nc(-c2ccccn2)sc1C(=O)Oc1ccc2c(c1)CCC(=O)N2 95947828 HPXPXIGYFPAICI-UHFFFAOYSA-N 365.414 3.617 0 40 FHAB COc1ccc(/C=C2/CN(C)Cc3c2nc2ccccc2c3C(=O)O)cc1 95950291 MMBJCQXMMNOSIG-PTNGSMBKSA-N 360.413 3.928 0 40 FHAB CC(C)(C)OC(=O)c1ccnc(N2CCO[C@H](c3ccc(F)cc3)C2)c1 95997089 UWOHNMUILFNOHM-KRWDZBQOSA-N 358.413 3.754 0 40 FHAB CCOC[C@@H]1COCCC12CCN(C(=O)CCc1ccccc1C)CC2 96106414 BTPCZDYDGBKMAG-HXUWFJFHSA-N 359.510 3.609 0 40 FHAB Cc1ccc([C@H](CNC(=O)/C=C/c2ccccc2Cl)OCCO)cc1 96337745 GRYDLFKCDNZWJM-VYENPZKTSA-N 359.853 3.528 0 40 FHAB CC(=O)[C@H]1[C@H](N2CC2)C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118917650 YKAAPHAUSMBTTG-XKMUXQCMSA-N 357.538 3.809 0 40 FHAB C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)N4CCCCCC4)cc3)C(=O)[C@@H]2C1 139084766 CRNGCENUBPXFLT-ATZDWAIDSA-N 368.477 3.628 0 40 FHAB COc1cccc(OC)c1C(=O)N1CCc2cc(Br)ccc21 194652699 DONCFIHAMBDYOV-UHFFFAOYSA-N 362.223 3.669 0 40 FHAB COc1ccc(S[C@@H](C)C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc1 216206990 QGLPVVUUDCRGQV-BBWFWOEESA-N 364.555 3.660 0 40 FHAB COC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccc(Cl)cc2)c1 224164459 MQXNYYKLUZSTAI-CYBMUJFWSA-N 363.841 3.692 0 40 FHAB C[C@@H](Oc1ccccc1)C(=O)NCc1cccc(CN2CCCCC2)c1 224685097 DTJDYCJGOFUJER-GOSISDBHSA-N 352.478 3.756 0 40 FHAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1 225071263 SFKTVNSJNFZJPV-LJQANCHMSA-N 366.505 3.524 0 40 FHAB O=C(NC[C@@H](c1ccsc1)N1CCC1)c1cccc(Br)c1 225593960 GIIFNBOXZZAUPX-HNNXBMFYSA-N 365.296 3.687 0 40 FHAB COc1cccc(-c2noc(CNC(=S)Nc3ccc(Cl)cc3)n2)c1 225821851 CORORZXWQQNDSY-UHFFFAOYSA-N 374.853 3.885 0 40 FHAB CC(C)CN1CCC[C@](C[C@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)O)C1 248220465 HQIOPBLAUQXDNJ-YLJYHZDGSA-N 362.445 3.532 0 40 FHAB O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2CN(Cc3cccs3)C[C@H]21 306135292 OMNOJRDGMGDTEL-VQIMIIECSA-N 371.483 3.763 0 40 FHAB CCOc1ccc(/C=C2/SC(=O)N(CC)C2=O)cc1Br 409099643 SNDRXZLOABRIAQ-XYOKQWHBSA-N 356.241 3.904 0 40 FHAB Cc1cc(NC(=O)N[C@]23C[C@H]2COC3(C)C)nn1-c1cccc(Cl)c1 529051081 LYXCZXZETBBWSC-KPZWWZAWSA-N 360.845 3.523 0 40 FHAB Cc1ccc2c(c1)[C@H](Nc1cnn(Cc3ccccc3)c(=O)c1Cl)CO2 576440080 XBDUQHBRYJOPON-QGZVFWFLSA-N 367.836 3.799 0 40 FHAB c1cn(-c2cncc([C@H]3CCCN(Cc4ccc5[nH]ccc5c4)C3)n2)cn1 585169383 JCBRASZYTZHKHC-SFHVURJKSA-N 358.449 3.523 0 40 FHAB O=C(Nc1cc(Cl)cc2cccnc12)[C@H]1CC(=O)N(C2CCCC2)C1 641898241 JWCNCAUTIJZNLI-ZDUSSCGKSA-N 357.841 3.618 0 40 FHAB COc1cccc(C2(NC(=O)N[C@H](C)c3nc(C(C)(C)C)no3)CCC2)c1 664261657 CPUZYJZKABSTNV-CYBMUJFWSA-N 372.469 3.815 0 40 FHAB Cc1ccc(Cc2nnc(NC(=O)NCc3cc(C4CC4)no3)s2)cc1 1200330842 SRYMCNUXOYQHRN-UHFFFAOYSA-N 369.450 3.624 0 40 FHAB O=Cc1nc(Br)c(-c2c(F)cc(Br)cc2F)[nH]1 1857794803 KNOHMXRZOJAPSQ-UHFFFAOYSA-N 365.959 3.692 0 40 FHAB O=C(c1cccnc1)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 1890127808 VPNSGIONMJKIET-UHFFFAOYSA-N 358.445 3.922 0 40 FHAB O=C(c1ccccc1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 24258467 ONMLTBLRJHKWSM-UHFFFAOYSA-N 363.486 3.768 0 40 FHAB COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(O)c3)SC2=S)cc1 1188559 TWPHOLDJGIAXPX-DHDCSXOGSA-N 359.428 3.512 0 40 FHAB CCOCc1ccccc1CNC(=O)C1(c2ccccc2)CCOCC1 24773862 SLVQJMQBYNGTND-UHFFFAOYSA-N 353.462 3.588 0 40 FHAB COc1cc(OC)c([C@H]2Nc3ccccc3-c3cc(C)nn32)cc1OC 817716 ZPSHBWWRCDRBJV-FQEVSTJZSA-N 351.406 3.857 0 40 FHAB COc1ccc(-n2nc3ccc(NC(=O)c4cccc(C)c4)cc3n2)cc1 828064 FSULAMGOUYRWDL-UHFFFAOYSA-N 358.401 3.990 0 40 FHAB CCOC(=O)c1[nH]c(C)c(C(=O)c2cccc(Br)c2)c1C 1103459 XZGCBPNBRAMGSY-UHFFFAOYSA-N 350.212 3.802 0 40 FHAB O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)c1cn2cccnc2n1 55506944 WCVSWSDESDRHHJ-UHFFFAOYSA-N 356.813 3.956 0 40 FHAB O=C(Nc1ccc(F)cc1)N1CCN(c2nc3ccccc3s2)CC1 4100239 NIGGSJPHSLPOQK-UHFFFAOYSA-N 356.426 3.790 0 40 FHAB CCC1=NN(C(=O)COc2cc(C)ccc2C(C)C)[C@](O)(C(F)(F)F)C1 4163412 MJDQYXQDZWPGFN-QGZVFWFLSA-N 372.387 3.746 0 40 FHAB COc1ccc([C@H](CC(=O)OCc2ccc(SC)cc2)NC(C)=O)cc1 25546668 DXSHPCXQTNPDQH-IBGZPJMESA-N 373.474 3.728 0 40 FHAB CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccco1 6356577 VWIAOKLPOWJLOA-UHFFFAOYSA-N 372.450 3.606 0 40 FHAB CCN1C(=O)N/C(=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)C1=O 6630149 HOFSHJCHUSGQQW-OQLLNIDSSA-N 373.840 3.669 0 40 FHAB CCc1ccc(-n2c(C)nnc2SCC(=O)N2CCCC[C@H]2C)cc1 6943818 OZKKHBLCXNKIEZ-CQSZACIVSA-N 358.511 3.631 0 40 FHAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NC3CCCC3)ccc2C)cc1 10372441 UADLSTMFHVUASR-UHFFFAOYSA-N 372.490 3.777 0 40 FHAB COc1ccc(COC[C@H](O)CN(Cc2ccccc2)[C@H](C)C2CC2)cc1 108922247 WDTSVCNVMNPGFD-XMSQKQJNSA-N 369.505 3.873 0 40 FHAB C[C@@H]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 36006917 HBHJSSIOIPAXOO-YLJYHZDGSA-N 372.534 3.725 0 40 FHAB O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)N1CCOCC1 10366667 IHQMRMXOBYEGRT-UHFFFAOYSA-N 352.409 3.765 0 40 FHAB COc1ccccc1[C@@H](C)N(C)C(=O)NC[C@H]1COc2ccccc2C1 45128956 LQYJGXVBNTYJMQ-CVEARBPZSA-N 354.450 3.649 0 40 FHAB CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccccc1C 2205130 OWQSOOGRHNSNEG-UHFFFAOYSA-N 372.519 3.990 0 40 FHAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2C[C@H](C)O[C@@H](C)C2)o1 28654369 WVCRCVQXAPZUHP-HOTGVXAUSA-N 365.433 3.690 0 40 FHAB CCCNc1nnc(SCC(=O)N2c3ccccc3CC[C@H]2C)s1 11018034 VFYPMTHIBKWUEO-GFCCVEGCSA-N 362.524 3.820 0 40 FHAB COc1ccc(/C=C/C(=O)Nc2c(C(=O)O)[nH]c3ccccc23)cc1OC 2403323 SRZPKXTWKKDZER-CSKARUKUSA-N 366.373 3.535 0 40 FHAB CSc1ncc(C(=O)OCc2nc3ccccc3[nH]2)n1-c1ccccc1 60553958 ROZAIQUETLHVBG-UHFFFAOYSA-N 364.430 3.828 0 40 FHAB CCn1c(SCC(=O)c2cc(C)n(C)c2C)nnc1-c1ccccc1 2623364 LENSAHMDLNIBOV-UHFFFAOYSA-N 354.479 3.895 0 40 FHAB COc1ccccc1C(=O)NC(=S)Nc1cccc2nc(C)ccc12 59294467 DDUSXJIYQVFAEQ-UHFFFAOYSA-N 351.431 3.679 0 40 FHAB Cn1c(S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)nc2ccccc21 12238529 YEIQYDWDHUPZCC-QGZVFWFLSA-N 355.438 3.824 0 40 FHAB O=C1C[C@H](N(O)c2ccccc2)C(=O)N1c1ccc(Cl)c(Cl)c1 101026514 POGWPEBLHVDLIE-AWEZNQCLSA-N 351.189 3.521 0 40 FHAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)C2CCN(C(=O)c3ccoc3)CC2)o1 47644084 CKKNHFKRDOBCDE-RDTXWAMCSA-N 370.449 3.507 0 40 FHAB CC1CCC2(CC1)NC(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2=O 12846859 DEHGAMPQEBLLTJ-UHFFFAOYSA-N 356.344 3.586 0 40 FHAB Cc1ccccc1NC(=O)COC(=O)c1c(-c2ccccc2)noc1C 3497386 VPDLWHAFHHKJLM-UHFFFAOYSA-N 350.374 3.754 0 40 FHAB O=C(CSc1nnc2[nH]c3ccccc3n12)Nc1ccc(Cl)cc1 3599283 SBCLYNDDYQYELM-UHFFFAOYSA-N 357.826 3.595 0 40 FHAB COc1ccccc1[C@H](CNC(=O)Nc1ccccc1F)N1CCCC1 12973533 RAKZRYXNDZJVPD-SFHVURJKSA-N 357.429 3.793 0 40 FHAB CCN(CC)[C@@H](CNC(=O)[C@H]1Cc2ccccc2S1)c1ccccc1 13011231 CSNPDIOFWORERT-AZUAARDMSA-N 354.519 3.903 0 40 FHAB O=C(CCCc1nc(-c2ccccc2)no1)N[C@H]1CCOc2ccccc21 9364367 RZLZYPLHGVXIQL-KRWDZBQOSA-N 363.417 3.699 0 40 FHAB CC(C)c1ccc(CSc2nnc(S[C@@H](C)C(N)=O)s2)cc1 6000046 OGSYUMRFMVHHFP-JTQLQIEISA-N 353.538 3.920 0 40 FHAB C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)N[C@H](C)c1ccc(F)cc1 9451114 ZVBSJOJUOHGTRW-CHWSQXEVSA-N 370.453 3.969 0 40 FHAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2oc3ccccc3c2C)c1C 9457930 NFMRMIYJTRAPCM-UHFFFAOYSA-N 369.373 3.512 0 40 FHAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nc2ccccc2c(=O)n1C1CC1 13987710 KLTAVEGFJWEMSS-OKILXGFUSA-N 371.506 3.613 0 40 FHAB O=C1CCCCCN1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 71793240 HJZWPAMGCQBSHO-UHFFFAOYSA-N 360.473 3.890 0 40 FHAB COc1ccc(C)cc1NC(=O)[C@H](C)Sc1nc(-c2cccs2)n[nH]1 14122717 YSRONWHZKSINHO-NSHDSACASA-N 374.491 3.970 0 40 FHAB O=C(NCCc1nnc2ccccn12)c1sc2ccccc2c1Cl 5488940 UZKVTEGRRFMGIM-UHFFFAOYSA-N 356.838 3.570 0 40 FHAB CN(CCOc1ccccc1F)S(=O)(=O)c1ccc2ccccc2c1 6557897 KUGAHGSMLLZNMB-UHFFFAOYSA-N 359.422 3.678 0 40 FHAB CCc1ccccc1NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 409383896 NZTKAFIBLHSQJH-INIZCTEOSA-N 374.506 3.659 0 40 FHAB Cc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc2c(c1)OCCO2 63790239 PCZVFYTUXNBJDK-CQSZACIVSA-N 358.463 3.520 0 40 FHAB CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1cnn(-c2ccccc2)c1 95463165 ZXKKGVIWJBXTKB-AUUYWEPGSA-N 353.397 3.517 0 40 FHAB CCN(CC)S(=O)(=O)c1ccc(SCc2ccccc2C)nc1 7053158 IQQZZDATVFCNOU-UHFFFAOYSA-N 350.509 3.713 0 40 FHAB Cc1cccc(-n2nnnc2[C@H](c2ccc(Cl)cc2Cl)N(C)C)c1 19907546 RZYLNJKTSVMVBO-INIZCTEOSA-N 362.264 3.929 0 40 FHAB O=C(Nc1cc(N2CCOC2=O)ccc1F)N[C@@H]1C[C@@H]1c1cccc(F)c1 67679609 AVDQSRHHNDOQKY-GDBMZVCRSA-N 373.359 3.599 0 40 FHAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc(F)c(F)c1 7306890 STGDNPZQFIBALI-GFCCVEGCSA-N 351.418 3.883 0 40 FHAB O=C(NCc1ccc(F)cc1C(F)(F)F)C1=NO[C@@H](c2ccccc2)C1 71965777 DKIZEWMXWUWCSB-MRXNPFEDSA-N 366.314 3.978 0 40 FHAB CCCn1c(NC(=O)C[C@H](NC(C)=O)c2ccccc2)nc2ccccc21 7796406 URFAHAIFOWLZEO-SFHVURJKSA-N 364.449 3.652 0 40 FHAB Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2O)n1-c1ccccc1 9615086 CHDUHGMJNYWPAP-UHFFFAOYSA-N 374.853 3.666 0 40 FHAB CCO[C@H]1C[C@@H](NC(=O)Nc2nc(-c3ccccc3)ns2)C12CCC2 84800808 LNJXKXNAZJNBAN-KGLIPLIRSA-N 358.467 3.674 0 40 FHAB CC(=O)c1ccc(NC(=O)[C@@H](C)Cn2nc(C(F)(F)F)cc2C)cc1 28237855 QKPLXAXBKRVCFH-JTQLQIEISA-N 353.344 3.688 0 40 FHAB CC(C)C(=O)N1CCN(c2nc(-c3ccsc3)nc3ccccc23)CC1 9153958 ZFFBYZLLNMJENC-UHFFFAOYSA-N 366.490 3.663 0 40 FHAB Cc1nc(CN2CCN(Cc3ccc(-c4ccccc4Cl)o3)CC2)no1 93274295 SRVGSIFEXJMBJZ-UHFFFAOYSA-N 372.856 3.609 0 40 FHAB CC1(C)CC(=O)c2sc(NC(=O)c3ccc4c(n3)CCCC4)nc2C1 89919702 XNSAOUDHNJZACJ-UHFFFAOYSA-N 355.463 3.824 0 40 FHAB O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(-n2cccn2)cc1 24571538 ANVYXLJHOOWFHK-UHFFFAOYSA-N 365.418 3.555 0 40 FHAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1(C)C 27025778 LNGULHBELAXTMF-SJORKVTESA-N 353.466 3.661 0 40 FHAB O=S(=O)(NCCCOCc1ccccc1)c1ccc(C(F)(F)F)cc1 32814232 ZXRFLGUBAKFHHI-UHFFFAOYSA-N 373.396 3.591 0 40 FHAB CCOc1cc([C@H]2NC[C@H](C(=O)O)S2)ccc1OCc1cccc(C)c1 408979223 QFEZADUJHWUJAC-MOPGFXCFSA-N 373.474 3.761 0 40 FHAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1OC 30869836 KHKJSDRJZRTPQC-JKSUJKDBSA-N 357.450 3.965 0 40 FHAB CCN(CC)c1cc(NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)ncn1 79440087 XRWUQSHQJHLQRU-HNNXBMFYSA-N 363.506 3.524 0 40 FHAB CCn1nc(C)cc1-c1nn2c(-c3ccc(Cl)cc3F)nnc2s1 36366804 PMEYVWUKLWAUGL-UHFFFAOYSA-N 362.821 3.837 0 40 FHAB COc1ccc(OC)c(NC(=O)C2CCN(c3ccc(C)cc3)CC2)c1 219850017 MVERVTFMAHMVNU-UHFFFAOYSA-N 354.450 3.867 0 40 FHAB COc1ccc(NC(C)=O)cc1NC(=O)N[C@H](c1ccccc1)C1CC1 43667605 AZXBGWVYQWOIFF-LJQANCHMSA-N 353.422 3.926 0 40 FHAB O=C(c1cccs1)N1CC(Oc2nc3c(Cl)cccc3s2)C1 75166706 ATJWDEIHJQERQF-UHFFFAOYSA-N 350.852 3.915 0 40 FHAB CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(SC)cc1 224978096 IDSQCHAUKZNIHT-UHFFFAOYSA-N 367.492 3.641 0 40 FHAB COC(=O)c1ccc(C(=O)NCc2cccnc2-c2ccsc2)cc1 225645015 MKDKIHVXONDLKD-UHFFFAOYSA-N 352.415 3.527 0 40 FHAB Brc1nc(-c2nn3c(-c4ccccc4)nnc3s2)cs1 44901839 JLDSBRIWDFUQOF-UHFFFAOYSA-N 364.253 3.739 0 40 FHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 224928983 WCQLFPIGNQJMLP-UGSOOPFHSA-N 361.413 3.878 0 40 FHAB Oc1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc[nH]1 224859845 XJBPTTKFMYUWKA-SJORKVTESA-N 370.865 3.946 0 40 FHAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc2c(c1)OCO2 223018626 MPEUYHJSPJVUPZ-INIZCTEOSA-N 361.825 3.851 0 40 FHAB CC(C)OCCCNC(=O)CCc1nc(-c2cccc3ccccc23)no1 225829772 KWINUQHRTCKKBV-UHFFFAOYSA-N 367.449 3.754 0 40 FHAB Cc1cccc(OCCNC(=O)C2CCN(Cc3ccccc3)CC2)c1C 223948122 JTWHHVMXMCDGPL-UHFFFAOYSA-N 366.505 3.711 0 40 FHAB COc1ccc(Cl)cc1S(=O)(=O)NCCCc1cccc(C)c1 223620954 ZHPHCCUNKMVAGK-UHFFFAOYSA-N 353.871 3.568 0 40 FHAB CCn1c([C@H]2CCCN2C(=O)[C@H]2CCc3cccnc32)nc2ccccc21 329347355 CKKVVVMJKSTKMJ-QFBILLFUSA-N 360.461 3.845 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 223541608 QINXBLWOZCGGGI-MRXNPFEDSA-N 372.896 3.826 0 40 FHAB O=C(CCc1cccc(Cl)c1)NCC1CCN(C(=O)c2ccoc2)CC1 225622167 FOBGIGFPRFVSHE-UHFFFAOYSA-N 374.868 3.534 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C 223585130 QZNNPJQBMFYUMA-LJQANCHMSA-N 366.505 3.708 0 40 FHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C)cc1 222967107 WJSFMPHBUABHDJ-QGZVFWFLSA-N 370.468 3.620 0 40 FHAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2C[C@@H]2CCCO2)S1 222602276 DQVOFCNTHZRMDZ-PDWMJMLSSA-N 368.506 3.651 0 40 FHAB CSc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1NC(C)=O 225261797 LPHDHAOQBBRWFO-UHFFFAOYSA-N 364.492 3.785 0 40 FHAB Cc1cc(C)nc(Nc2ccccc2C(=O)N2CCOc3ccccc32)n1 225916225 OJBZIQSRDZCQAF-UHFFFAOYSA-N 360.417 3.876 0 40 FHAB CCOC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1cccs1 225122314 DYRVVWCSQBQATE-UHFFFAOYSA-N 367.492 3.630 0 40 FHAB CC[C@H](C)[C@@H](CO)NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1Cl 230211750 UMFHBWPJSNOYRN-LKFCYVNXSA-N 356.253 3.520 0 40 FHAB CCC1=NC2(CCC(C(=O)Nc3ccc(C)cc3)CC2)C(=O)N1CC1CC1 96061742 RRLVAMFRUCBTKX-UHFFFAOYSA-N 367.493 3.923 0 40 FHAB Cc1ncc(C(=O)N2CCC[C@@H](Cc3cnc4ccccc4c3)CC2)cn1 257286565 PMAKIBHSOCDADC-QGZVFWFLSA-N 360.461 3.818 0 40 FHAB Cc1ccc(S(=O)(=O)N=c2sc3ccccc3n2C(F)F)cc1 254804230 QWSHCSGJIAPDNP-UHFFFAOYSA-N 354.403 3.696 0 40 FHAB C[C@H]1CN(C(=O)c2ccc3c(c2)CCNCC3)CCc2ccc(Cl)cc21 653204207 OMLZCEDOZONUNU-HNNXBMFYSA-N 368.908 3.830 0 40 FHAB COc1cccc(CN2[C@H]3C[C@H]4CC[C@@]3(CS2(=O)=O)C4(C)C)c1Cl 663994267 KDYTUQHJSKMKIX-XUWXXGDYSA-N 369.914 3.689 0 40 FHAB CC(F)(F)c1ccccc1NC(=O)N1CCC[C@@H](N2CCCC2=O)CC1 669401298 RNLCVQFYEMUYPE-CQSZACIVSA-N 365.424 3.807 0 40 FHAB CCCC(CCC)N1CCOC[C@](O)(COc2ccc(Cl)cc2)C1 585284618 YWIUUMGPYMDASY-IBGZPJMESA-N 355.906 3.751 0 40 FHAB CCN1C(=O)CC[C@@H](C(=O)NCc2ccc(C)cc2)[C@@H]1c1ccccc1 585168417 YOHJBBOYKDALKZ-CTNGQTDRSA-N 350.462 3.611 0 40 FHAB CC(C)(C)OC(=O)N1CCC[C@H]1CCCS(=O)(=O)CCC(F)(F)F 953091194 OXTXRGAXKDTPJU-LBPRGKRZSA-N 373.437 3.533 0 40 FHAB CCN(C(C)=O)[C@H]1CN(Cc2cccc(OC)c2OC)C2(CCCCC2)C1 19703921 QCRZMWJQCQQKEM-LJQANCHMSA-N 374.525 3.849 0 40 FHAB O=C(CCc1nc2ccccc2s1)NCc1ncc(-c2ccccc2)[nH]1 51411804 UQCCULGDKDIDHX-UHFFFAOYSA-N 362.458 3.935 0 40 FHAB CCC(=O)N(C)c1ccccc1C(=O)Nc1cc(OC)c(OC)cc1C 73398474 PHNVFWWMMMEVDV-UHFFFAOYSA-N 356.422 3.637 0 40 FHAB COC(=O)c1cc(F)ccc1NC(=O)Cc1csc(-c2ccccc2)n1 40142712 QUDWZPVOJGOXTB-UHFFFAOYSA-N 370.405 3.917 0 40 FHAB C[C@]1(c2ccccn2)NC(=O)N(Cc2sc3ccccc3c2Cl)C1=O 60379385 HTFSJTDMALZHSH-GOSISDBHSA-N 371.849 3.917 0 40 FHAB COc1ccc2o/c(=N\c3ccc(Br)cc3)c(C(N)=O)cc2c1 846046 RKMWQHJCZDMEAH-JZJYNLBNSA-N 373.206 3.535 0 40 FHAB COc1cc(NC[C@@H](O)CN(CC(C)C)C2CCCC2)c2ncccc2c1 5834715 OIDQIVBIYSEUSN-LJQANCHMSA-N 371.525 3.917 0 40 FHAB CC(C)(C)c1cc(C(=O)N2CCC[C@H](C(=O)c3ccccc3F)C2)[nH]n1 12116512 UPLVWVWSIITQTC-ZDUSSCGKSA-N 357.429 3.581 0 40 FHAB COc1cc(C)c(CNC(=O)c2cccc(-n3cnnc3)c2)cc1C(C)C 12148325 UEMDCODWYIOYCV-UHFFFAOYSA-N 364.449 3.638 0 40 FHAB O=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)c1nc(-c2ccc(C(F)(F)F)cc2)no1 12322863 GZIOJCIAUDZBNW-KGYLQXTDSA-N 363.339 3.697 0 40 FHAB CC(C)Oc1cccc(CCCNS(=O)(=O)c2ccc(F)cc2)c1 13673344 IXGUHZSTTHWVDN-UHFFFAOYSA-N 351.443 3.524 0 40 FHAB Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)n1 19572767 IMEBNOZIACDLQJ-QZTJIDSGSA-N 373.472 3.908 0 40 FHAB Cc1nc2c(C)cccn2c1C(=O)Nc1ncc(-c2ccc(F)cc2)n1C 19716888 XGKNPWHGZRCFCQ-UHFFFAOYSA-N 363.396 3.743 0 40 FHAB C[C@@H](C(=O)Nc1ccc(NC(=O)CCC2CCCCC2)cc1)n1cncn1 25299885 MSMJLWSBSCHKET-HNNXBMFYSA-N 369.469 3.777 0 40 FHAB O=C(NCc1cccnc1-c1cccnc1)c1ccc(OC2CCCC2)nc1 238858829 KHOGMAZUQIDMOO-UHFFFAOYSA-N 374.444 3.790 0 40 FHAB COc1ccc2nc(N3CCC[C@@H](N(C)C(=O)C(C)(C)C)C3)ccc2c1 2087144457 PQLXUKDSWCBPIW-MRXNPFEDSA-N 355.482 3.717 0 40 FHAB COc1ccccc1N(CN1CCCC1=O)C(=O)c1ccc(C)c(C)c1 4137958 RLWBVDYEGQRDGD-UHFFFAOYSA-N 352.434 3.539 0 40 FHAB O=C(NC[C@@H]1CN(c2ccc(F)cc2)C(=O)O1)c1cccc2ccccc12 9070417 FBPWQTPKRIOQND-QGZVFWFLSA-N 364.376 3.734 0 40 FHAB Cc1nccn1[C@H]1C[C@H]2CN(CC3CCC3)C[C@H]2C[C@@H]1Oc1ccccn1 2332242647 FOCJXGKKFLQXRK-WOZUAGRISA-N 366.509 3.717 0 40 FHAB NC(=O)Nc1ccc(NC(=O)c2ccccc2C(=O)c2cccs2)cc1 40049281 XCUIIRCJVSSPJX-UHFFFAOYSA-N 365.414 3.722 0 40 FHAB CC[C@H](C(=O)Nc1cccc(OC)c1)n1nc(-c2ccccc2)ccc1=O 20095367 ZLOLVMVDQMIKGZ-LJQANCHMSA-N 363.417 3.509 0 40 FHAB CN(Cc1ccccc1N1CCCC1)C(=O)Nc1nnc(C2CC2)s1 40103209 VLHPDLNCPZPTHX-UHFFFAOYSA-N 357.483 3.680 0 40 FHAB COc1ccc(-c2cc(O)n(-c3nc4ccccc4s3)n2)cc1OC 100134586 PHLFNSMIMFBDBJ-UHFFFAOYSA-N 353.403 3.872 0 40 FHAB COc1cccc(C(=O)CSc2n[nH]c(/C=C/c3ccc(C)o3)n2)c1 31802026 PPUHWZFLIILUMV-CMDGGOBGSA-N 355.419 3.860 0 40 FHAB CCc1nnc(NC(=O)c2ccc3nc(-n4cccc4)sc3c2)s1 31807509 PJYVDJVRQPBNLI-UHFFFAOYSA-N 355.448 3.753 0 40 FHAB COc1ccccc1OCC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 32102877 OEVVOYWIJTZVAU-UHFFFAOYSA-N 350.418 3.747 0 40 FHAB Cc1onc(-c2ccccc2)c1-c1nnc(CSc2cccc[n+]2[O-])o1 21180095 DPKCMKOEQXYNEC-UHFFFAOYSA-N 366.402 3.626 0 40 FHAB COc1ccc(CNC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1 32862407 RAMAULJDIDPXRY-UHFFFAOYSA-N 352.356 3.756 0 40 FHAB COc1ccc([C@H]2CCCCCN2S(=O)(=O)N2CCC(C)CC2)cc1 23018763 DOOBBILPRPALOQ-LJQANCHMSA-N 366.527 3.589 0 40 FHAB O=S(=O)(c1ccc(Br)cc1)N1CCCc2ccccc21 834057 NNXXNQBMJZSBPH-UHFFFAOYSA-N 352.253 3.591 0 40 FHAB O=C(NCCCN1CCOCC1)c1ccc(-c2ccc(Cl)cc2)s1 23731499 GIXRMLPGYVRBBG-UHFFFAOYSA-N 364.898 3.521 0 40 FHAB c1ccc(Cn2cc(CNCCc3ccccn3)c(-c3cccnc3)n2)cc1 24106084 BEJUCKNWHNPLBB-UHFFFAOYSA-N 369.472 3.721 0 40 FHAB COc1ccccc1N1C(=O)c2ccccc2N[C@]1(C(=O)O)c1ccccc1 1068882 UYTUOMYZUMIHAB-JOCHJYFZSA-N 374.396 3.705 0 40 FHAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Nc1ccc3ccccc3c1)C(=O)C2 1454985 OELNENRGDZBHDO-JXFKEZNVSA-N 357.475 3.977 0 40 FHAB CCOC(=O)Oc1ccc(/C=C2\N=C(c3cccs3)OC2=O)cc1OC 2407937 ILLYATJURZTTET-XFXZXTDPSA-N 373.386 3.637 0 40 FHAB Cc1cc(Cl)ccc1OCC(=O)N1CCN(c2ccc(F)cc2)CC1 2658099 ACXMTBOUUJSUQX-UHFFFAOYSA-N 362.832 3.515 0 40 FHAB COc1cccc(CN2CCC[C@H](C(=O)N(C)Cc3ccccc3)C2)c1 2734646 AWDZNNJDCUIACW-FQEVSTJZSA-N 352.478 3.566 0 40 FHAB COc1ccc(CC(=O)Nc2ccc(C)cc2Br)cc1OC 3603708 HNKKGMNAVZUBQZ-UHFFFAOYSA-N 364.239 3.956 0 40 FHAB COc1ccc(CCNC(=O)Cc2ccc(Cl)c(Cl)c2)cc1OC 3614688 HXAFKAOHYMCHLJ-UHFFFAOYSA-N 368.260 3.912 0 40 FHAB CCCC[C@H](CC)CNC(=O)[C@@H](C(=O)c1ccccc1)n1ccccc1=O 4548292 QQADIGBZXCAATD-FXAWDEMLSA-N 368.477 3.605 0 40 FHAB Cc1cc(Cl)ccc1NS(=O)(=O)c1cc(C(=O)O)cc(C)c1C 5133969 LGXMUCZJIIRBSI-UHFFFAOYSA-N 353.827 3.764 0 40 FHAB Cn1c(=O)c(C(=O)Nc2ccccc2-c2ccccc2)cc2cccnc21 5303656 OXPQHIXXQNDWTH-UHFFFAOYSA-N 355.397 3.853 0 40 FHAB COc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)o2)cc1 5434626 ARNJBVJACQUKBU-UHFFFAOYSA-N 355.419 3.784 0 40 FHAB Cc1cc(OCCCC(=O)N[C@@H](C)c2nnc3ccccn23)ccc1Cl 5489348 XIDZKMJUTHSBCA-AWEZNQCLSA-N 372.856 3.728 0 40 FHAB O=C([C@H](Sc1nnc(C2CC2)n1C1CC1)c1ccccc1)N1CCCC1 5572645 SHILMBRHKFFNLF-QGZVFWFLSA-N 368.506 3.946 0 40 FHAB Cc1ccsc1C(=O)OCC(=O)Nc1c(C)nn(-c2ccccc2)c1C 5973764 BIWOXZPRVIQPSB-UHFFFAOYSA-N 369.446 3.655 0 40 FHAB O=C(NC1CC1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 6092559 IGYCNBMWEWPPFB-UHFFFAOYSA-N 363.261 3.802 0 40 FHAB C[C@@H]1CCCCN1C(=O)Cn1cc(C=O)c2cc(Br)ccc21 6298895 QQTJEMILAWPBLI-GFCCVEGCSA-N 363.255 3.617 0 40 FHAB CCn1ccc([C@@H]2NC(=O)c3sc4nc(C(F)F)cc(C)c4c3N2)n1 6396019 QXQRGBYCLVLUSO-AWEZNQCLSA-N 363.393 3.613 0 40 FHAB COC(=O)c1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1 6510016 OOHRZTDNMGFKDU-UHFFFAOYSA-N 352.415 3.778 0 40 FHAB CCC[C@H](C(=O)NC[C@H](c1ccc(OC)cc1)N(C)C)c1ccccc1 6934679 BNSDOIQSEDKUGI-LEWJYISDSA-N 354.494 3.998 0 40 FHAB CN(CC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1cccc(Cl)c1 6975919 RMXHRURRVVHCKR-UHFFFAOYSA-N 371.868 3.537 0 40 FHAB Fc1ccc(OCCSc2nnc([C@@H]3COc4ccccc4O3)o2)cc1 7089132 QJKSUFZGRVZSNM-INIZCTEOSA-N 374.393 3.892 0 40 FHAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)NCCc3ccccc3)o2)cc1 7454698 TVSAUJPOLYFTKE-HNNXBMFYSA-N 367.474 3.885 0 40 FHAB COCCCNC(=O)/C(=C/c1ccc(F)c(F)c1)c1nc2ccccc2[nH]1 7503047 RIMPPPMVRSPIGZ-SDNWHVSQSA-N 371.387 3.534 0 40 FHAB Cc1noc(C)c1CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1N 7778549 DSBJICOLXMKSJN-UHFFFAOYSA-N 357.483 3.854 0 40 FHAB COc1cc(CC(=O)N2CCC[C@H]2c2cccs2)cc(OC)c1OC 7798067 PRMHMGVANDUUTG-AWEZNQCLSA-N 361.463 3.680 0 40 FHAB CN1CCC2(CC1)C[C@H](NC(=S)Nc1ccccc1)c1ccccc1O2 7982598 MULGBFNWQUKCJI-SFHVURJKSA-N 367.518 3.961 0 40 FHAB C[C@]1(CCc2ccccc2)NC(=O)N(Cc2nc3ccccc3s2)C1=O 8132100 SYGCIDNXUYMSDL-HXUWFJFHSA-N 365.458 3.740 0 40 FHAB CCOc1ccccc1CNn1c(-c2ccccc2OC)n[nH]c1=S 8325616 OCMKUPBRKYAYDW-UHFFFAOYSA-N 356.451 3.759 0 40 FHAB C[C@H](Sc1nc(CC2CCCC2)n[nH]1)c1nc2ccccc2c(=O)[nH]1 8708963 DLFSLIFAPKVNNF-NSHDSACASA-N 355.467 3.627 0 40 FHAB COc1ccc(-c2nonc2NC(=O)COc2c(C)cc(C)cc2C)cc1 8916346 QWDTVBZXVXZWSF-UHFFFAOYSA-N 367.405 3.688 0 40 FHAB CC(C)[C@H](Sc1nnc(C(F)(F)F)n1C)C(=O)Nc1ccccc1 9315796 HTJZBTQURZNJIW-NSHDSACASA-N 358.389 3.589 0 40 FHAB Cc1c(Cl)c(CN2C(=O)N[C@](C)(c3ccco3)C2=O)nc2ccccc12 9949273 IHQPKMUZQUWIMP-LJQANCHMSA-N 369.808 3.757 0 40 FHAB CCOc1ccc(OCC)c(NC(=O)c2ccc3c(c2)CCC(=O)N3)c1 9954424 ZWXWQWPKEVJKIS-UHFFFAOYSA-N 354.406 3.621 0 40 FHAB Cc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1NS(C)(=O)=O 10357610 MDRDGSPNMJSYJD-UHFFFAOYSA-N 373.261 3.926 0 40 FHAB CS(=O)(=O)c1ccccc1NC(=O)c1cc(Cl)sc1Cl 10512183 AQKSDTUULQPWEB-UHFFFAOYSA-N 350.248 3.711 0 40 FHAB Cn1c(=O)c2ccccc2n2c(CNc3cccc(Cl)c3Cl)nnc12 11622737 PSRVWCZMDISYIO-UHFFFAOYSA-N 374.231 3.500 0 40 FHAB CC(C)CNC(=O)Cc1csc(SCC(=O)c2ccc(F)cc2)n1 11695003 PJYAJHMXOJHULC-UHFFFAOYSA-N 366.483 3.572 0 40 FHAB CCc1ccc(C(=O)NC[C@@H](c2cccn2C)N2CCCCCC2)cc1 11846217 OZPAMZMBQNQWEL-NRFANRHFSA-N 353.510 3.935 0 40 FHAB O=C(COc1ncnc2ccccc12)NC1(c2ccccc2F)CCCC1 12197899 PHMDGVWMXFKFRT-UHFFFAOYSA-N 365.408 3.733 0 40 FHAB COc1cccc(CN2CCC(c3noc(-c4ccccn4)n3)CC2)c1 12329719 ZPAAPPKZXUFBGA-UHFFFAOYSA-N 350.422 3.520 0 40 FHAB Cc1c(S(=O)(=O)c2ccccc2)c(N)n(Cc2ccccc2F)c1C 12372619 PRJNONJBHFOEOK-UHFFFAOYSA-N 358.438 3.707 0 40 FHAB CCCCN(C)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1 12541679 KROQXAMFQNLGBS-UHFFFAOYSA-N 360.479 3.668 0 40 FHAB COC(=O)c1cccc(NC(=O)c2occc2COc2ccccc2)c1 12774372 WIVGCMDPFGGDRF-UHFFFAOYSA-N 351.358 3.898 0 40 FHAB COc1ccc(C)cc1NC(=O)CSc1nc2ccccc2nc1C 12862487 SKUULUIFPPAAFM-UHFFFAOYSA-N 353.447 3.986 0 40 FHAB CCOc1ccc([C@H]2C[C@H](c3ccc(F)cc3)Nc3nc(N)nn32)cc1 13131838 QULAYSUMBXLMDD-IAGOWNOFSA-N 353.401 3.544 0 40 FHAB CCSc1nnc(NC(=O)[C@@H](CC)Sc2ccccc2N)s1 13573055 UOWPYKNIFCUGFP-SNVBAGLBSA-N 354.526 3.742 0 40 FHAB O=S(=O)(Nc1ccn(Cc2ccccc2Cl)n1)c1ccc(F)cc1 14225631 GPBBZNDBBRRWTI-UHFFFAOYSA-N 365.817 3.525 0 40 FHAB CN(Cc1nnc(-c2ccco2)o1)Cc1ccccc1N1CCCCC1 15574065 QSAVQXALFNMTHM-UHFFFAOYSA-N 352.438 3.952 0 40 FHAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CC1CCCC1 17862276 GKEADASICUMCQL-UHFFFAOYSA-N 367.287 3.735 0 40 FHAB CCCOc1ccc(N2C(=O)C[C@@H](NCc3ccc(Cl)cc3)C2=O)cc1 18325182 OKUKSUSIOFHIKJ-GOSISDBHSA-N 372.852 3.551 0 40 FHAB CCc1nccn1C[C@@H](C)C(=O)Nc1ncc(Cc2ccccc2)s1 19523599 IXOHVARCCCOULJ-CQSZACIVSA-N 354.479 3.768 0 40 FHAB CCCn1ncc(CN2C[C@@H]3[C@@H](CCC[C@@]3(O)c3ccc(F)cc3)C2)c1C 19525928 WQBSKAJHYXKTIA-MTNREXPMSA-N 371.500 3.860 0 40 FHAB COc1ccc(NC(=O)COc2ccccc2F)cc1-c1ccc(CO)o1 20144619 MLPWIHIHGQNBNZ-UHFFFAOYSA-N 371.364 3.604 0 40 FHAB CCN(c1ccc(C(=O)N[C@H](C)c2ccc(C)cc2C)cc1)S(C)(=O)=O 20458305 HFMGVEBWILWDNI-MRXNPFEDSA-N 374.506 3.580 0 40 FHAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCC[C@H](C)C1 21555476 FXQXMDHJUGINQT-AHHUIIKDSA-N 360.542 3.602 0 40 FHAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc2ccccc2c1 21923086 NBZIXVNKLFFHHD-LJQANCHMSA-N 366.486 3.705 0 40 FHAB CCn1cc(C(=O)N[C@H](C)c2ccc(OC)cc2)c(=O)c2cc(C)ccc21 22234772 VWBQUKPPHKCIPI-OAHLLOKOSA-N 364.445 3.829 0 40 FHAB N[C@@H](c1ccc(Br)cc1)[C@H](N)c1ccc(Br)cc1 22467046 XURRKKYAGFWNPT-OKILXGFUSA-N 370.088 3.911 0 40 FHAB in-vitro CC(C)C[C@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1 22516690 QLPAYCDYLOGAGE-IBGZPJMESA-N 374.506 3.600 0 40 FHAB CN(Cc1ccc(Cl)s1)C(=O)COC(=O)c1c[nH]c2ccccc12 22975815 DNSIOCIDYGOKQO-UHFFFAOYSA-N 362.838 3.698 0 40 FHAB O=C(c1cc(-c2cccs2)on1)N1CCN(Cc2ccc(F)cc2)CC1 23237102 RBESHEBFMNKTCD-UHFFFAOYSA-N 371.437 3.500 0 40 FHAB C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1cccc2ncccc12 23433136 DMSVFJCBXSHYNV-ZDUSSCGKSA-N 367.478 3.672 0 40 FHAB Cc1ccc2c(c1)[C@@]1(NCCc3c1c(C)n(-c1ccccc1)c3C)C(=O)N2 23882931 IWMLGPZIDVRQJY-QHCPKHFHSA-N 357.457 3.744 0 40 FHAB ClC1(Cl)C[C@H]1CSc1nnc([C@@H]2COc3ccccc3O2)o1 26436929 PTZDRCMYPHRGKQ-KWQFWETISA-N 359.234 3.868 0 40 FHAB CCOc1ccc(C(=O)N(C)Cc2ccc(OC)cc2OC)cc1OCC 29267307 RLGQJIBHWQKGGN-UHFFFAOYSA-N 373.449 3.773 0 40 FHAB COc1ccc(CNC(=O)N(C)Cc2c(F)cccc2Cl)cc1OC 30980087 KVRMDYOMJINIDK-UHFFFAOYSA-N 366.820 3.838 0 40 FHAB O=C(COc1ccc2oc3ccccc3c2c1)NCCCN1CCCCC1 32744702 NCDBFUGQEQCLGC-UHFFFAOYSA-N 366.461 3.957 0 40 FHAB Fc1ccc(-c2nc(CSCc3nnnn3-c3ccccc3)co2)cc1 32772141 VUFOXWBLUPASIU-UHFFFAOYSA-N 367.409 3.890 0 40 FHAB O=C(CN1CCc2ccccc2C1)NC(c1ccccc1)c1ccccc1 36056767 CZYFGZYVXMLAKU-UHFFFAOYSA-N 356.469 3.951 0 40 FHAB O=C(Nc1ccccn1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 40079967 FZANINYAYZWQOO-AWEZNQCLSA-N 364.232 3.632 0 40 FHAB O=C(c1cnn2c(-c3ccccc3)ccnc12)N1CCc2sccc2C1 40145272 FCPJEJYDMNYDER-UHFFFAOYSA-N 360.442 3.656 0 40 FHAB CCOC(=O)COc1ccc([C@H](C)NC(=O)Nc2ccccc2)cc1OC 40149977 PTILWZKDVXKKKT-AWEZNQCLSA-N 372.421 3.520 0 40 FHAB COc1ccc(COC[C@@H](O)CN(Cc2ccccc2)[C@@H](C)C2CC2)cc1 40160719 WDTSVCNVMNPGFD-AVRDEDQJSA-N 369.505 3.873 0 40 FHAB O=C(Nc1nn2c(-c3ccccc3)nnc2s1)c1ccccc1Cl 41076431 DJTBBYCOSVBBDP-UHFFFAOYSA-N 355.810 3.759 0 40 FHAB C[C@H](NC(=O)[C@@H](C)SCc1ccccc1)c1ccc2c(c1)OCCO2 43848594 HYRNKKYBUQVFIP-LSDHHAIUSA-N 357.475 3.957 0 40 FHAB CCOC(=O)c1cc(C(C)(C)C)n(CCNC(=O)OC(C)(C)C)c1C 44676240 YIUCFGMUUXSBMY-UHFFFAOYSA-N 352.475 3.795 0 40 FHAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)NCc1ccccc1F 46071880 NTJYWXZZJOICOT-PXNSSMCTSA-N 353.441 3.652 0 40 FHAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cc2c(C)nn(C)c2s1 46683386 GORPFMHUQNQFBO-UHFFFAOYSA-N 368.462 3.852 0 40 FHAB COc1ccc2oc(C(=O)Nc3cccc(C(=O)N(C)C)c3)c(C)c2c1 48253796 AKSMXFSXXBSTRH-UHFFFAOYSA-N 352.390 3.704 0 40 FHAB Cc1cc(C(=O)CN2CCC(O)CC2)c(C)n1CCc1ccc(Cl)cc1 49967954 RDJXDEMNRRCZKF-UHFFFAOYSA-N 374.912 3.640 0 40 FHAB COc1ccc(-n2c(COC(=O)C[C@H]3CCCO3)nc3ccccc32)cc1 51224251 PGMCHZXOZBZUPT-QGZVFWFLSA-N 366.417 3.646 0 40 FHAB CN(C(=O)CN1C(=O)COc2cc(C(C)(C)C)ccc21)C1CCCCC1 51316190 JSDWNKSKYJMXKP-UHFFFAOYSA-N 358.482 3.501 0 40 FHAB CCOC(=O)N(C)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 54313121 CKQGHQFGMPHNMM-UHFFFAOYSA-N 366.373 3.638 0 40 FHAB COc1ccc(NC(=O)c2cccc(Oc3ccc(C)nn3)c2)c(OC)c1 56906644 RBHPOBMWAAFZDW-UHFFFAOYSA-N 365.389 3.847 0 40 FHAB CC(=O)Nc1cccc([C@H](C)NC(=O)CCCOc2ccccc2F)c1 58197740 YNIQBKYIEBZWMQ-AWEZNQCLSA-N 358.413 3.821 0 40 FHAB S=C(NCc1nc(-c2cccs2)no1)Nc1ccccc1Cl 65705246 FZUDEWFSRSFWCR-UHFFFAOYSA-N 350.856 3.938 0 40 FHAB O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccc(F)cc1F 66803357 SQUVLJUOLRDUIV-UHFFFAOYSA-N 354.360 3.812 0 40 FHAB COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)c3cnccn3)C2)n1 72349192 HBJLUBCFRBVKTN-MRXNPFEDSA-N 374.444 3.567 0 40 FHAB Cc1nnc(Nc2cncc([C@H]3CCCN3CCc3ccccc3)n2)s1 72376242 MWELSAJZSKARDY-QGZVFWFLSA-N 366.494 3.760 0 40 FHAB Cc1cccnc1Nc1nccc([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 72377948 GHWHIORAFRWTIO-QGZVFWFLSA-N 365.481 3.820 0 40 FHAB CCCOc1cccc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)c1 75613095 TZOPCYUUTCWWII-KRWDZBQOSA-N 364.486 3.755 0 40 FHAB Cc1noc(C2CCN(C(=O)N[C@H](C)c3ccc(F)cc3Cl)CC2)n1 77669800 HMRYHESLFXAXGQ-SNVBAGLBSA-N 366.824 3.821 0 40 FHAB CCN(C(=O)c1ccc(OC(F)F)cc1)[C@H]1CCN(c2ccccc2)C1=O 78806104 ZPIZJPJMKNMJPS-KRWDZBQOSA-N 374.387 3.556 0 40 FHAB CCC1=C(C(=O)NCc2ccnc(N3CCCC3)c2)Cc2ccccc2O1 78902872 USIKXGLNAIKJLZ-UHFFFAOYSA-N 363.461 3.597 0 40 FHAB O=C(c1cnc(-n2cccn2)cn1)N(Cc1ccsc1)c1ccccc1 79110704 HRKOXIDRISCIQR-UHFFFAOYSA-N 361.430 3.571 0 40 FHAB CCOc1ccc(-c2n[nH]c([C@@H](N)c3ccc(Cl)cc3)n2)cc1OCC 95534059 UZHDIGATXHLWMR-KRWDZBQOSA-N 372.856 3.971 0 40 FHAB O=C(Cc1csc(-c2cccs2)n1)N1CCCCC[C@H]1c1ncon1 96012144 GKUPXGFFBSSCCH-ZDUSSCGKSA-N 374.491 3.941 0 40 FHAB Cc1ccc(CN2CCC3(CC2)C[C@@H](OCc2ccccn2)CO3)cc1 96106885 UUSNNYWNAWKXNS-OAQYLSRUSA-N 352.478 3.730 0 40 FHAB Cc1ccccc1C(=O)N1C[C@H]2CCC[C@@]2(COCc2ccccn2)C1 96209863 JFTLEEWDQYFCDJ-GCJKJVERSA-N 350.462 3.849 0 40 FHAB OCCCc1nc2n(n1)[C@@H](c1ccccc1)C=C(c1ccc(Cl)cc1)N2 100706850 LJGKHSMCFXOZDG-GOSISDBHSA-N 366.852 3.912 0 40 FHAB CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ncnn32)cc1OC 102628062 AUZZARHDYHGDDM-SFHVURJKSA-N 368.437 3.993 0 40 FHAB C[C@@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc2c(c1)CCCC2 109416318 XKXVCQXSHRSOOP-QGZVFWFLSA-N 364.489 3.893 0 40 FHAB O=C(Nc1cccc(C(F)(F)F)c1)N1CC[C@H](Oc2ccncc2)C1 127111001 XWJICRVDTUGLQO-HNNXBMFYSA-N 351.328 3.786 0 40 FHAB CCS(=O)(=O)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 208005823 ZNXNEONPSBMIGS-UHFFFAOYSA-N 360.464 3.710 0 40 FHAB O=C(NCC1=CCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 223928701 JUDWJMNWQKDAFS-UHFFFAOYSA-N 370.474 3.718 0 40 FHAB COc1ccc(CCC(=O)NCCCN2CCc3ccccc3C2)cc1C 224741763 SQBOLWVUHBACIX-UHFFFAOYSA-N 366.505 3.501 0 40 FHAB CCc1ccc(OCCNC(=O)COc2ccc3c(c2)CCCC3)cc1 225163591 MLJFONOPPATTGY-UHFFFAOYSA-N 353.462 3.702 0 40 FHAB Cc1cc(C)c2c(=O)ccn(CC(=O)N[C@H](C)CCc3ccccc3)c2c1 225757881 OJEOCIHLMMFGPX-GOSISDBHSA-N 362.473 3.756 0 40 FHAB COc1cccc(CC(=O)N2C[C@H]3[C@@H](Oc4cccc(F)c4)CC[C@H]3C2)c1 257204376 AUGVLMGEUYOBIO-DQLDELGASA-N 369.436 3.693 0 40 FHAB O=S(=O)(Cc1ccn(-c2ccccc2F)n1)C[C@@H]1CCCC(F)(F)C1 509170895 AIZMVWFACBPHOU-CYBMUJFWSA-N 372.412 3.752 0 40 FHAB O=C(NC1CC(N2CCCCC2)C1)c1cc(-c2ccc3ccccc3c2)[nH]n1 517231464 JDXGIXLGKGLUBY-UHFFFAOYSA-N 374.488 3.977 0 40 FHAB O=C(O)c1cc(C(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)ccn1 538468582 DPAHYLZBQPOQQP-UHFFFAOYSA-N 364.376 3.762 0 40 FHAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1c[nH]nc1-c1nccs1 567606209 FXBBFYZKKQORIT-SNVBAGLBSA-N 362.842 3.901 0 40 FHAB NC(=O)c1ccc(CNc2cc(C(F)F)nc3ccc(Cl)cc23)cn1 571082759 VKJTYFZFHDBJIT-UHFFFAOYSA-N 362.767 3.932 0 40 FHAB CC(C)CN(Cc1ccc(F)c(Cl)c1)C(=O)CC[C@@]1(C)CCC(=O)N1 628529286 NZDAYOLENBJIOS-LJQANCHMSA-N 368.880 3.913 0 40 FHAB Cc1cccnc1[C@@H](NC(=O)c1cc(C(F)(F)F)cnc1O)C(C)C 635568545 MLFVKBLMEDWYNG-ZDUSSCGKSA-N 353.344 3.637 0 40 FHAB O=S(=O)(c1ccc(Br)cc1)N1CC[C@@H](c2ccsc2)C1 667383998 WEKYVIMCHOCIMT-LLVKDONJSA-N 372.309 3.689 0 40 FHAB Brc1ccc(-c2noc(C3CN(C4CCCCC4)C3)n2)o1 669413190 YMYBULZCSLPCNH-UHFFFAOYSA-N 352.232 3.824 0 40 FHAB O=C(C[C@@H]1OC[C@H]2CN(CC3CCCCC3)CC[C@@H]12)NCc1ccccc1 1565553035 HRGAKHIKHBKHOY-VSKRKVRLSA-N 370.537 3.610 0 40 FHAB Cc1cc(C(=O)O)ccc1NC(=O)[C@H]1CCN(c2ccccc2Cl)C1 1600118652 JWXIGTYJAPWKPS-AWEZNQCLSA-N 358.825 3.812 0 40 FHAB CC(C)(C)c1ccc(OCC2CCN(c3ncc(Cl)cn3)CC2)nn1 1775965905 JPOVQLZZUHPEGW-UHFFFAOYSA-N 361.877 3.513 0 40 FHAB Cc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)nc(C2CC2)n1 1888914718 GTUJTPWICXXPPR-HNNXBMFYSA-N 362.433 3.823 0 40 FHAB CO[C@@]1(COc2ccccc2)CCCN(C(=O)CCc2ccccc2)C1 2037909165 ZESDDGNXFDQHLB-QFIPXVFZSA-N 353.462 3.706 0 40 FHAB